smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cnc(N2CCN3CC[NH2+]C[C@@H]3C2)c(C[NH3+])c1 ZINC001164407435 718837421 /nfs/dbraw/zinc/83/74/21/718837421.db2.gz WVRXUYNXNUXYMD-CYBMUJFWSA-N 2 0 261.373 -0.057 20 0 CBADRP C[NH+]1CCN(c2ccc(N3C[C@H]4C[C@@]4([NH3+])C3)nn2)CC1 ZINC001164416198 718886333 /nfs/dbraw/zinc/88/63/33/718886333.db2.gz UMGWNHZWSVLHGZ-BXUZGUMPSA-N 2 0 274.372 -0.234 20 0 CBADRP C[N@@H+]1CCO[C@H]2CN(c3ncnc4c3CC[NH2+]CC4)C[C@@H]21 ZINC001164666292 719370596 /nfs/dbraw/zinc/37/05/96/719370596.db2.gz DRBVEVYVRLBQCL-KBPBESRZSA-N 2 0 289.383 -0.316 20 0 CBADRP C[N@@H+]1CCO[C@@H]2CN(c3cc(C4C[NH2+]C4)ncn3)C[C@H]21 ZINC001164667085 719489990 /nfs/dbraw/zinc/48/99/90/719489990.db2.gz ISSWOHCDZNXEAV-CHWSQXEVSA-N 2 0 275.356 -0.317 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001076569010 805579798 /nfs/dbraw/zinc/57/97/98/805579798.db2.gz GPFSUCSLKSZNIJ-YNEHKIRRSA-N 2 0 267.373 -0.537 20 0 CBADRP CC(C)(C)[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000043801304 790326225 /nfs/dbraw/zinc/32/62/25/790326225.db2.gz GVLQZJQATICFME-LLVKDONJSA-N 2 0 255.362 -0.083 20 0 CBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000300259394 790468774 /nfs/dbraw/zinc/46/87/74/790468774.db2.gz JWDYJDHLHQMLLI-RWMBFGLXSA-N 2 0 260.378 -0.073 20 0 CBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000300259396 790469303 /nfs/dbraw/zinc/46/93/03/790469303.db2.gz JWDYJDHLHQMLLI-YNEHKIRRSA-N 2 0 260.378 -0.073 20 0 CBADRP O[C@H](CN1CC[C@@H](N2CC[NH2+]CC2)C1)C[NH+]1CCCC1 ZINC000381001083 790515309 /nfs/dbraw/zinc/51/53/09/790515309.db2.gz LBRHXEBMBMITPP-CABCVRRESA-N 2 0 282.432 -0.577 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C[C@@H](O)C[N@H+](C)CCOC ZINC000381340205 790518683 /nfs/dbraw/zinc/51/86/83/790518683.db2.gz KJTSVJQOXIBTSX-STQMWFEESA-N 2 0 259.394 -0.391 20 0 CBADRP O[C@@H](CN1CCN([C@H]2CC[NH2+]C2)CC1)C[NH+]1CCCC1 ZINC000383925824 790531299 /nfs/dbraw/zinc/53/12/99/790531299.db2.gz TZPDFZNYZUYFAK-LSDHHAIUSA-N 2 0 282.432 -0.577 20 0 CBADRP C[NH+](C)[C@@H]1[C@H]2CN(C[C@H](O)C[NH+]3CCCC3)C[C@H]21 ZINC000384660110 790535656 /nfs/dbraw/zinc/53/56/56/790535656.db2.gz AIXQYXDCCPJKJA-MQYQWHSLSA-N 2 0 253.390 -0.065 20 0 CBADRP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000385236892 790539226 /nfs/dbraw/zinc/53/92/26/790539226.db2.gz JXPIOLKNQUQFJD-STQMWFEESA-N 2 0 259.394 -0.404 20 0 CBADRP COCC(COC)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000384956353 790540145 /nfs/dbraw/zinc/54/01/45/790540145.db2.gz MPYTXAKIHWIYDC-GFCCVEGCSA-N 2 0 257.378 -0.373 20 0 CBADRP CO[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1OC ZINC000385345522 790540186 /nfs/dbraw/zinc/54/01/86/790540186.db2.gz CMEDHMQWXCCWIR-RWMBFGLXSA-N 2 0 258.362 -0.211 20 0 CBADRP COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000385236889 790541084 /nfs/dbraw/zinc/54/10/84/790541084.db2.gz JXPIOLKNQUQFJD-CHWSQXEVSA-N 2 0 259.394 -0.404 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000386169631 790544545 /nfs/dbraw/zinc/54/45/45/790544545.db2.gz CXEPAYXEZHTMIF-KGLIPLIRSA-N 3 0 298.431 -0.770 20 0 CBADRP CCN(C[C@H](O)C[N@H+](C)CCOC)[C@H]1CC[NH2+]C1 ZINC000386479997 790547994 /nfs/dbraw/zinc/54/79/94/790547994.db2.gz VXAUFNSPTZRPPM-QWHCGFSZSA-N 2 0 259.394 -0.391 20 0 CBADRP CCN(C[C@@H](O)C[N@H+](C)CCOC)[C@H]1CC[NH2+]C1 ZINC000386479999 790548316 /nfs/dbraw/zinc/54/83/16/790548316.db2.gz VXAUFNSPTZRPPM-STQMWFEESA-N 2 0 259.394 -0.391 20 0 CBADRP [NH3+][C@H](CC(F)F)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000388339988 790556120 /nfs/dbraw/zinc/55/61/20/790556120.db2.gz WRQZBCRFJZLZQM-OPRDCNLKSA-N 2 0 277.315 -0.052 20 0 CBADRP CC[NH+]1CCC([NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC000387442166 790551139 /nfs/dbraw/zinc/55/11/39/790551139.db2.gz ZFBKDQCHCHKYNY-CQSZACIVSA-N 2 0 271.405 -0.247 20 0 CBADRP CC[NH+]1CCC([NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC000387442165 790551561 /nfs/dbraw/zinc/55/15/61/790551561.db2.gz ZFBKDQCHCHKYNY-AWEZNQCLSA-N 2 0 271.405 -0.247 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000405082588 790613778 /nfs/dbraw/zinc/61/37/78/790613778.db2.gz BGTPRAMCHXJIIV-JTQLQIEISA-N 2 0 261.391 -0.296 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)C3C[NH2+]C3)CC[C@@H]21 ZINC000405163643 790615578 /nfs/dbraw/zinc/61/55/78/790615578.db2.gz ZYZSPHHFQORBLW-JQWIXIFHSA-N 2 0 273.402 -0.296 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000405153965 790616193 /nfs/dbraw/zinc/61/61/93/790616193.db2.gz QSTYTYHNHXDLDZ-LLVKDONJSA-N 2 0 273.402 -0.152 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CCN1CCN1CCCS1(=O)=O ZINC000695077275 790687425 /nfs/dbraw/zinc/68/74/25/790687425.db2.gz ZJFWIDVFVBTAPG-QWRGUYRKSA-N 2 0 261.391 -0.167 20 0 CBADRP C[C@H]1C[C@@H](N2CCN(CC(=O)N(C)C)CC2)CC[NH2+]1 ZINC000700800033 790710905 /nfs/dbraw/zinc/71/09/05/790710905.db2.gz BTNOTLYAMRYHTN-STQMWFEESA-N 2 0 268.405 -0.167 20 0 CBADRP COCC[NH2+]CC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702337226 790722329 /nfs/dbraw/zinc/72/23/29/790722329.db2.gz KXYJNTUXEBZYKG-WCQYABFASA-N 2 0 255.362 -0.368 20 0 CBADRP CC(C)COC[C@@H](O)C[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000702571154 790722782 /nfs/dbraw/zinc/72/27/82/790722782.db2.gz WLMXCYYAYJWYRA-STQMWFEESA-N 2 0 260.378 -0.324 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@H](O)C[NH3+] ZINC000705604261 790726805 /nfs/dbraw/zinc/72/68/05/790726805.db2.gz YNIQTUIPMXZUMN-ZDUSSCGKSA-N 3 0 288.436 -0.572 20 0 CBADRP C[NH+]1CCN(CCNC(=O)CCC2C[NH2+]C2)CC1 ZINC000709455881 790737154 /nfs/dbraw/zinc/73/71/54/790737154.db2.gz ANAJRRHKIOGHJG-UHFFFAOYSA-N 2 0 254.378 -0.650 20 0 CBADRP CNC(=O)CN1CCC([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000709357267 790737578 /nfs/dbraw/zinc/73/75/78/790737578.db2.gz QDDOMQKJAVYMTR-WCQYABFASA-N 2 0 268.405 -0.073 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000709896520 790738455 /nfs/dbraw/zinc/73/84/55/790738455.db2.gz HVMABNBIRNRUNL-NEPJUHHUSA-N 2 0 255.362 -0.083 20 0 CBADRP CN1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H](CO)C1 ZINC000711054219 790743614 /nfs/dbraw/zinc/74/36/14/790743614.db2.gz PESLBHZFCWTKTN-IJLUTSLNSA-N 2 0 255.362 -0.361 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000711246700 790745474 /nfs/dbraw/zinc/74/54/74/790745474.db2.gz AMCKYJJQLPVUTD-QWHCGFSZSA-N 2 0 280.416 -0.262 20 0 CBADRP CN1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](C[NH3+])C1 ZINC000715848808 790751345 /nfs/dbraw/zinc/75/13/45/790751345.db2.gz VUVCCLHRQCKMPK-NSHDSACASA-N 2 0 252.362 -0.817 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)c2c(C[NH3+])cnn2C)CC[N@@H+]1C ZINC000719410860 790759518 /nfs/dbraw/zinc/75/95/18/790759518.db2.gz RPILOUGYNOHBIJ-SCZZXKLOSA-N 2 0 251.334 -0.299 20 0 CBADRP CN1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000720514014 790765805 /nfs/dbraw/zinc/76/58/05/790765805.db2.gz SMMDJDAQNPJWNI-ZIAGYGMSSA-N 2 0 280.416 -0.023 20 0 CBADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CN1CC[NH2+]CC1 ZINC000720892983 790771962 /nfs/dbraw/zinc/77/19/62/790771962.db2.gz ABCSAGLBUUDWTH-OLZOCXBDSA-N 2 0 266.389 -0.413 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1C[C@H]([NH3+])C(C)(C)C1 ZINC000720830993 790772103 /nfs/dbraw/zinc/77/21/03/790772103.db2.gz URRXMHDVRWSSAK-NEPJUHHUSA-N 2 0 259.394 -0.405 20 0 CBADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000720905579 790774677 /nfs/dbraw/zinc/77/46/77/790774677.db2.gz DJTAGSOKGNHCDT-IRCOFANPSA-N 2 0 253.346 -0.202 20 0 CBADRP CC(=O)N(C)CC(=O)NCCN1CCC([NH3+])CC1 ZINC000721904864 790784988 /nfs/dbraw/zinc/78/49/88/790784988.db2.gz XOHCTGAPBVGOAQ-UHFFFAOYSA-N 2 0 256.350 -0.996 20 0 CBADRP C[C@H](CNS(=O)(=O)C1C[NH2+]C1)C[NH+]1CCCCC1 ZINC000722262742 790790842 /nfs/dbraw/zinc/79/08/42/790790842.db2.gz QMRHLDYRSRATBP-LLVKDONJSA-N 2 0 275.418 0.000 20 0 CBADRP C[C@@H](CNS(=O)(=O)C1C[NH2+]C1)C[NH+]1CCCCC1 ZINC000722262743 790791452 /nfs/dbraw/zinc/79/14/52/790791452.db2.gz QMRHLDYRSRATBP-NSHDSACASA-N 2 0 275.418 0.000 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723886568 790801097 /nfs/dbraw/zinc/80/10/97/790801097.db2.gz LDIFCYQEMDZVFF-KXUCPTDWSA-N 2 0 256.350 -0.253 20 0 CBADRP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723908880 790803307 /nfs/dbraw/zinc/80/33/07/790803307.db2.gz LDIFCYQEMDZVFF-OPRDCNLKSA-N 2 0 256.350 -0.253 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724575827 790808485 /nfs/dbraw/zinc/80/84/85/790808485.db2.gz CRROBYUNIWRMEE-RDBSUJKOSA-N 2 0 269.389 -0.373 20 0 CBADRP NC(=O)NC(=O)OCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000772175517 790824036 /nfs/dbraw/zinc/82/40/36/790824036.db2.gz QDKWBMDSELCERB-RKDXNWHRSA-N 2 0 256.306 -0.667 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000822123806 790831989 /nfs/dbraw/zinc/83/19/89/790831989.db2.gz FMATYRMMVBNEFM-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1=O ZINC001021904761 790969276 /nfs/dbraw/zinc/96/92/76/790969276.db2.gz CLDPZTYMWPRUDL-RNJOBUHISA-N 2 0 294.399 -0.452 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001022089872 790989369 /nfs/dbraw/zinc/98/93/69/790989369.db2.gz NGSLLWPSQCSRHJ-SCUASFONSA-N 2 0 281.400 -0.054 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022166015 790995112 /nfs/dbraw/zinc/99/51/12/790995112.db2.gz JTWZBLWVSHGZBT-TUAOUCFPSA-N 2 0 282.388 -0.417 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022195941 790995215 /nfs/dbraw/zinc/99/52/15/790995215.db2.gz JWENYHUIZDJXBP-RWMBFGLXSA-N 2 0 296.415 -0.314 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001022277475 791001413 /nfs/dbraw/zinc/00/14/13/791001413.db2.gz ANVGSNPIDCSWSI-YVECIDJPSA-N 2 0 294.399 -0.275 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001022291934 791002994 /nfs/dbraw/zinc/00/29/94/791002994.db2.gz IAOIWVBUCNDQOB-RNJOBUHISA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC001022596027 791029793 /nfs/dbraw/zinc/02/97/93/791029793.db2.gz FZCKOORZZIMCKC-FPYNETTCSA-N 2 0 296.415 -0.173 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC001022596028 791029169 /nfs/dbraw/zinc/02/91/69/791029169.db2.gz FZCKOORZZIMCKC-PJSNJIKXSA-N 2 0 296.415 -0.173 20 0 CBADRP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022612789 791030925 /nfs/dbraw/zinc/03/09/25/791030925.db2.gz GBHXMWJVDROJRW-PHIMTYICSA-N 2 0 294.355 -0.323 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001022712943 791040107 /nfs/dbraw/zinc/04/01/07/791040107.db2.gz DJMIOVXUAHXKJE-UTUOFQBUSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022717169 791041149 /nfs/dbraw/zinc/04/11/49/791041149.db2.gz RRFGRQKQTAFYMZ-WYUUTHIRSA-N 2 0 255.362 -0.587 20 0 CBADRP C[C@H]([NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1)C(N)=O ZINC001022714524 791041786 /nfs/dbraw/zinc/04/17/86/791041786.db2.gz WFBQWJIXQBHJQS-FIQHERPVSA-N 2 0 282.388 -0.561 20 0 CBADRP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077003987 805671856 /nfs/dbraw/zinc/67/18/56/805671856.db2.gz IHPDKUGLHVIEOJ-BFHYXJOUSA-N 2 0 281.400 -0.101 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001077090888 805683253 /nfs/dbraw/zinc/68/32/53/805683253.db2.gz DLFUTCGHDJROGT-MGPQQGTHSA-N 2 0 299.415 -0.596 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077572698 805751201 /nfs/dbraw/zinc/75/12/01/805751201.db2.gz IXYMGYQWOAIDLJ-WUHRBBMRSA-N 2 0 269.389 -0.102 20 0 CBADRP CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618251 805757063 /nfs/dbraw/zinc/75/70/63/805757063.db2.gz CZEOVENHFKDSST-IACUBPJLSA-N 2 0 299.415 -0.476 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001147892967 814925001 /nfs/dbraw/zinc/92/50/01/814925001.db2.gz MMZJAJAZYMJEGG-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011949 805821214 /nfs/dbraw/zinc/82/12/14/805821214.db2.gz OWIAIABQPMMKGX-YNEHKIRRSA-N 2 0 297.399 -0.722 20 0 CBADRP O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078013294 805822016 /nfs/dbraw/zinc/82/20/16/805822016.db2.gz ZYDKOASXFSNDPL-CHWSQXEVSA-N 2 0 279.384 -0.347 20 0 CBADRP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078008641 805822104 /nfs/dbraw/zinc/82/21/04/805822104.db2.gz OLCVVOHTPUSXRJ-YNEHKIRRSA-N 2 0 269.389 -0.101 20 0 CBADRP CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078175376 805851043 /nfs/dbraw/zinc/85/10/43/805851043.db2.gz YLVXEMLSZOUZOZ-YNEHKIRRSA-N 2 0 269.389 -0.101 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147970602 814927314 /nfs/dbraw/zinc/92/73/14/814927314.db2.gz MPMSHKBGYKMEER-UHFFFAOYSA-N 2 0 282.388 -0.734 20 0 CBADRP CN1CCC[C@@H]([NH2+]CCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001147977831 814927517 /nfs/dbraw/zinc/92/75/17/814927517.db2.gz XWGPPUABDSLZNS-GFCCVEGCSA-N 2 0 294.399 -0.591 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147994294 814927671 /nfs/dbraw/zinc/92/76/71/814927671.db2.gz CIEYCJXEDSPTOP-UHFFFAOYSA-N 2 0 296.415 -0.440 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977677 814928049 /nfs/dbraw/zinc/92/80/49/814928049.db2.gz VHWCGXMTYDQXOM-UHFFFAOYSA-N 2 0 285.388 -0.549 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080786485 806009486 /nfs/dbraw/zinc/00/94/86/806009486.db2.gz MZPLLKSWUDUPBM-VXGBXAGGSA-N 2 0 267.373 -0.489 20 0 CBADRP O=C(NCC[NH2+][C@H]1CCCNC1=O)C12CC[NH+](CC1)C2 ZINC001147977759 814928150 /nfs/dbraw/zinc/92/81/50/814928150.db2.gz XHQYYASALXXBBF-NSHDSACASA-N 2 0 280.372 -0.933 20 0 CBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082096031 806145506 /nfs/dbraw/zinc/14/55/06/806145506.db2.gz VHDJXDWEQIZMLG-ZIAGYGMSSA-N 2 0 299.415 -0.474 20 0 CBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082132643 806149480 /nfs/dbraw/zinc/14/94/80/806149480.db2.gz LODYCGIJXOMZEJ-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328980 806165442 /nfs/dbraw/zinc/16/54/42/806165442.db2.gz VEEADJRNPJLUIL-CHWSQXEVSA-N 2 0 297.399 -0.720 20 0 CBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326497 806165813 /nfs/dbraw/zinc/16/58/13/806165813.db2.gz GNWWBDLXCFULJT-BFHYXJOUSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001082522463 806184627 /nfs/dbraw/zinc/18/46/27/806184627.db2.gz JREYHJRJAQNWIW-YVECIDJPSA-N 2 0 296.415 -0.362 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001082508345 806185065 /nfs/dbraw/zinc/18/50/65/806185065.db2.gz ZZWSVWLAZCFMPJ-UPJWGTAASA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(N)=O ZINC001082570210 806186115 /nfs/dbraw/zinc/18/61/15/806186115.db2.gz BYASOKSXYZMFFU-JHJVBQTASA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001082544567 806186212 /nfs/dbraw/zinc/18/62/12/806186212.db2.gz IVSHSIIQBNZASX-UPJWGTAASA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C)C(N)=O ZINC001082557617 806186441 /nfs/dbraw/zinc/18/64/41/806186441.db2.gz TYLQYWIGMQKKCH-GRYCIOLGSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(N)=O ZINC001082559314 806186843 /nfs/dbraw/zinc/18/68/43/806186843.db2.gz AYYFFINQLPHDNU-IRUJWGPZSA-N 2 0 282.388 -0.752 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001082921542 806198388 /nfs/dbraw/zinc/19/83/88/806198388.db2.gz SPKZMNLOXALYAO-JHJVBQTASA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C)C(N)=O ZINC001148051276 814929904 /nfs/dbraw/zinc/92/99/04/814929904.db2.gz FZSFXAJKOZOJRU-VIFPVBQESA-N 2 0 279.344 -0.659 20 0 CBADRP CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083471992 806335076 /nfs/dbraw/zinc/33/50/76/806335076.db2.gz AEMCODHOWBZWSY-LPWJVIDDSA-N 2 0 269.389 -0.102 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655060 806392620 /nfs/dbraw/zinc/39/26/20/806392620.db2.gz STIAPRISODZIJJ-NRYGQCTKSA-N 2 0 295.383 -0.969 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781464 806431620 /nfs/dbraw/zinc/43/16/20/806431620.db2.gz IQHVROLUYNUENO-TUAOUCFPSA-N 2 0 255.362 -0.491 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001083779326 806432308 /nfs/dbraw/zinc/43/23/08/806432308.db2.gz WPOMACMLOBNKPT-XQQFMLRXSA-N 2 0 285.388 -0.986 20 0 CBADRP CCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083954919 806468018 /nfs/dbraw/zinc/46/80/18/806468018.db2.gz OLCVVOHTPUSXRJ-UPJWGTAASA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959059 806471080 /nfs/dbraw/zinc/47/10/80/806471080.db2.gz CPDJPPICVSDLAS-XQQFMLRXSA-N 2 0 299.390 -0.008 20 0 CBADRP CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084056716 806481976 /nfs/dbraw/zinc/48/19/76/806481976.db2.gz KXHDXVNQUDJTDB-UTUOFQBUSA-N 2 0 255.362 -0.491 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCCO)C[C@H]21 ZINC001084231586 806502774 /nfs/dbraw/zinc/50/27/74/806502774.db2.gz FBAYUPXHQASZMW-HZSPNIEDSA-N 2 0 281.400 -0.004 20 0 CBADRP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCO)C[C@H]32)CC1 ZINC001084630710 806530465 /nfs/dbraw/zinc/53/04/65/806530465.db2.gz RFBWBSIWBJRJQY-ZIAGYGMSSA-N 2 0 281.400 -0.147 20 0 CBADRP CNC(=O)CN1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001084831589 806539460 /nfs/dbraw/zinc/53/94/60/806539460.db2.gz RLXPQAKTMLVEEH-CHWSQXEVSA-N 2 0 294.399 -0.639 20 0 CBADRP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001085928141 806625583 /nfs/dbraw/zinc/62/55/83/806625583.db2.gz PHMMXIPYSLXLRZ-GFCCVEGCSA-N 2 0 267.373 -0.393 20 0 CBADRP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085972965 806627488 /nfs/dbraw/zinc/62/74/88/806627488.db2.gz LSFCJXLINIARRO-NWDGAFQWSA-N 2 0 255.362 -0.537 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001022975560 798870319 /nfs/dbraw/zinc/87/03/19/798870319.db2.gz ONBONZNHHJROPQ-KKOKHZNYSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001022975867 798870830 /nfs/dbraw/zinc/87/08/30/798870830.db2.gz VYCJSWIYMWPGRM-QNWHQSFQSA-N 2 0 269.389 -0.054 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001023084113 798879665 /nfs/dbraw/zinc/87/96/65/798879665.db2.gz JCNCGSLAIMMCNO-WYUUTHIRSA-N 2 0 280.372 -0.937 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001023084111 798879980 /nfs/dbraw/zinc/87/99/80/798879980.db2.gz JCNCGSLAIMMCNO-NNYUYHANSA-N 2 0 280.372 -0.937 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001023088742 798881026 /nfs/dbraw/zinc/88/10/26/798881026.db2.gz HADVXWUTTMAUOY-GARJFASQSA-N 2 0 268.361 -0.807 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001023088656 798881695 /nfs/dbraw/zinc/88/16/95/798881695.db2.gz BJGXAWRGJKFJBM-XQQFMLRXSA-N 2 0 294.399 -0.402 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001023273148 798895094 /nfs/dbraw/zinc/89/50/94/798895094.db2.gz JSDAQGGZSANTSP-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001023750840 798921613 /nfs/dbraw/zinc/92/16/13/798921613.db2.gz XZMNTTHZTQGJIA-STQMWFEESA-N 2 0 269.389 -0.241 20 0 CBADRP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025799043 798976332 /nfs/dbraw/zinc/97/63/32/798976332.db2.gz QLHFHQFOPFVXOK-DGTMBMJNSA-N 2 0 279.384 -0.084 20 0 CBADRP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001026044226 798988140 /nfs/dbraw/zinc/98/81/40/798988140.db2.gz MBJXVMGBKSBLJX-BJJPWKGXSA-N 2 0 281.400 -0.123 20 0 CBADRP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001026145893 798993566 /nfs/dbraw/zinc/99/35/66/798993566.db2.gz VKQJEULRYFUBRC-OBPIAQAESA-N 2 0 294.399 -0.881 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]12 ZINC001026421783 799004168 /nfs/dbraw/zinc/00/41/68/799004168.db2.gz WMDYXVOZFKVYQM-FRRDWIJNSA-N 2 0 294.399 -0.606 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC2CCC([NH2+]CC(N)=O)CC2)C1 ZINC001026561313 799009997 /nfs/dbraw/zinc/00/99/97/799009997.db2.gz VOCYYHSOGQOHFW-HIFPTAJRSA-N 2 0 296.415 -0.170 20 0 CBADRP NC(=O)C[NH2+]C1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001026593181 799011702 /nfs/dbraw/zinc/01/17/02/799011702.db2.gz DKQJJGWISZNZPE-UHFFFAOYSA-N 2 0 294.399 -0.416 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027218084 799034233 /nfs/dbraw/zinc/03/42/33/799034233.db2.gz XJHDMYMKTMFJMO-STQMWFEESA-N 2 0 294.399 -0.591 20 0 CBADRP C[N@H+](CCO)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027650987 799062414 /nfs/dbraw/zinc/06/24/14/799062414.db2.gz HJRORIKOXPAEAA-ZDUSSCGKSA-N 2 0 281.400 -0.003 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681580 799064228 /nfs/dbraw/zinc/06/42/28/799064228.db2.gz YKFWNMMIMXGUCH-CHWSQXEVSA-N 2 0 296.415 -0.121 20 0 CBADRP C[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001027680920 799064911 /nfs/dbraw/zinc/06/49/11/799064911.db2.gz LZRSJKAPGUBVPB-OLZOCXBDSA-N 2 0 269.389 -0.147 20 0 CBADRP O=C(NC[C@@H]1CCC[N@H+]1CCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001027885361 799094334 /nfs/dbraw/zinc/09/43/34/799094334.db2.gz DCCVZKDMBVWOHU-UONOGXRCSA-N 2 0 281.400 -0.099 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001028549479 799152183 /nfs/dbraw/zinc/15/21/83/799152183.db2.gz RAUCGWZNIQHEKX-FRRDWIJNSA-N 2 0 296.415 -0.489 20 0 CBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001028757203 799166155 /nfs/dbraw/zinc/16/61/55/799166155.db2.gz AYDYQWFNPIOJOY-KBPBESRZSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028778813 799169585 /nfs/dbraw/zinc/16/95/85/799169585.db2.gz MFTVFTKKWNYTJM-RYUDHWBXSA-N 2 0 296.415 -0.360 20 0 CBADRP O=C(NC[C@H]1CC[N@@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC001028931759 799181611 /nfs/dbraw/zinc/18/16/11/799181611.db2.gz XLLJNPOYYFYMKH-GFCCVEGCSA-N 2 0 267.373 -0.487 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001028987208 799184103 /nfs/dbraw/zinc/18/41/03/799184103.db2.gz WBWCSMLXDWRYKN-RYUDHWBXSA-N 2 0 255.362 -0.632 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001028982439 799184505 /nfs/dbraw/zinc/18/45/05/799184505.db2.gz KWYAFCDYMGTZSD-QWHCGFSZSA-N 2 0 269.389 -0.241 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028985260 799184521 /nfs/dbraw/zinc/18/45/21/799184521.db2.gz JYCMPVOMXPFYFP-VXGBXAGGSA-N 2 0 282.388 -0.878 20 0 CBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029309432 799194834 /nfs/dbraw/zinc/19/48/34/799194834.db2.gz NOZSQFYUWXQNDF-ZNMIVQPWSA-N 2 0 293.411 -0.004 20 0 CBADRP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029585963 799202432 /nfs/dbraw/zinc/20/24/32/799202432.db2.gz FMZHFEQJRSGZGM-BETUJISGSA-N 2 0 267.373 -0.250 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001029584498 799202559 /nfs/dbraw/zinc/20/25/59/799202559.db2.gz WIRWKTOEBWMWCM-UPJWGTAASA-N 2 0 267.373 -0.394 20 0 CBADRP CN1CCO[C@@H](C(=O)NC2CN(CC[C@H]3CCOC3)C2)C1 ZINC001030185099 799260408 /nfs/dbraw/zinc/26/04/08/799260408.db2.gz ZMHHMLCQTRKGOJ-GXTWGEPZSA-N 2 0 297.399 -0.456 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC2C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001031384824 799481235 /nfs/dbraw/zinc/48/12/35/799481235.db2.gz NDLAQBLQHKCXRJ-VXGBXAGGSA-N 2 0 267.373 -0.225 20 0 CBADRP CNC(=O)[C@H](C)N1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031585437 799513491 /nfs/dbraw/zinc/51/34/91/799513491.db2.gz XQPVSLHIWRLDCY-CMPLNLGQSA-N 2 0 282.388 -0.737 20 0 CBADRP CNC(=O)[C@@H](C)N1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031585439 799513862 /nfs/dbraw/zinc/51/38/62/799513862.db2.gz XQPVSLHIWRLDCY-PWSUYJOCSA-N 2 0 282.388 -0.737 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031713651 799536214 /nfs/dbraw/zinc/53/62/14/799536214.db2.gz DIPQZYDAQHMGRN-CYBMUJFWSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031771791 799542750 /nfs/dbraw/zinc/54/27/50/799542750.db2.gz INHRRLWXXPXUQD-GFCCVEGCSA-N 2 0 255.362 -0.489 20 0 CBADRP O=C(NCC1C[NH+](CCO)C1)C12CCC[NH+]1CCC2 ZINC001031812027 799548616 /nfs/dbraw/zinc/54/86/16/799548616.db2.gz KAMBQAYRBOGHPK-UHFFFAOYSA-N 2 0 267.373 -0.345 20 0 CBADRP O=C(NCC1C[NH+](CCO)C1)c1ccn2c[nH+]cc2c1 ZINC001031817431 799548702 /nfs/dbraw/zinc/54/87/02/799548702.db2.gz FLAJIDBHVQAXQW-UHFFFAOYSA-N 2 0 274.324 -0.012 20 0 CBADRP O=C(NCC1C[NH+](CCO)C1)c1ccc2c[nH+]cn2c1 ZINC001031850968 799551222 /nfs/dbraw/zinc/55/12/22/799551222.db2.gz ULMRQJNBRZDMLA-UHFFFAOYSA-N 2 0 274.324 -0.012 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCCO)C1 ZINC001031977168 799568572 /nfs/dbraw/zinc/56/85/72/799568572.db2.gz XSYBWLUACGOJAI-AAEUAGOBSA-N 2 0 269.389 -0.386 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032838431 799678259 /nfs/dbraw/zinc/67/82/59/799678259.db2.gz XSEUILGLQGLRLC-QJPTWQEYSA-N 2 0 255.362 -0.348 20 0 CBADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCO)C1 ZINC001032959106 799697013 /nfs/dbraw/zinc/69/70/13/799697013.db2.gz CZJBMTMLEJKZSJ-NEPJUHHUSA-N 2 0 255.362 -0.394 20 0 CBADRP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CCO)C1 ZINC001033199578 799726412 /nfs/dbraw/zinc/72/64/12/799726412.db2.gz VRLXLEBTMPUILD-OLZOCXBDSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033657908 799775256 /nfs/dbraw/zinc/77/52/56/799775256.db2.gz OIGOLZCJRSFRQH-OLZOCXBDSA-N 2 0 269.389 -0.004 20 0 CBADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033660057 799777579 /nfs/dbraw/zinc/77/75/79/799777579.db2.gz HCQDLXUZGJEKII-CHWSQXEVSA-N 2 0 269.389 -0.147 20 0 CBADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CCO)C1 ZINC001033666072 799778246 /nfs/dbraw/zinc/77/82/46/799778246.db2.gz UHVFNQUEXJYKSB-LBPRGKRZSA-N 2 0 255.362 -0.393 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCC[NH+](CCO)C2)C1 ZINC001034523965 799842621 /nfs/dbraw/zinc/84/26/21/799842621.db2.gz CVDBOLNBIVRWCC-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCO)C2)C1 ZINC001034523963 799842693 /nfs/dbraw/zinc/84/26/93/799842693.db2.gz CVDBOLNBIVRWCC-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)CC1 ZINC001034721742 799854023 /nfs/dbraw/zinc/85/40/23/799854023.db2.gz RCBHAJDAFOQXSF-JOCQHMNTSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034736597 799854802 /nfs/dbraw/zinc/85/48/02/799854802.db2.gz XTPCSNUPTBLJEG-JHJVBQTASA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CCO ZINC001036300125 799986545 /nfs/dbraw/zinc/98/65/45/799986545.db2.gz SPPQPNZOSZAYDS-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CCO ZINC001036300123 799986762 /nfs/dbraw/zinc/98/67/62/799986762.db2.gz SPPQPNZOSZAYDS-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP O=C(NC[C@@H]1CC[N@H+]1CCCO)[C@H]1C[NH+]2CCC1CC2 ZINC001038247541 800087143 /nfs/dbraw/zinc/08/71/43/800087143.db2.gz INQYVIWDNYZRCA-KBPBESRZSA-N 2 0 281.400 -0.099 20 0 CBADRP O=C(NC[C@H]1CC[N@H+]1CCCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001038247544 800089269 /nfs/dbraw/zinc/08/92/69/800089269.db2.gz INQYVIWDNYZRCA-ZIAGYGMSSA-N 2 0 281.400 -0.099 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038664405 801234271 /nfs/dbraw/zinc/23/42/71/801234271.db2.gz UWNAALADZIMBTB-YPMHNXCESA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001044734906 801665451 /nfs/dbraw/zinc/66/54/51/801665451.db2.gz XSCZQCWUIQDBFH-DGCLKSJQSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001044734904 801666282 /nfs/dbraw/zinc/66/62/82/801666282.db2.gz XSCZQCWUIQDBFH-AAEUAGOBSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@]1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+](CCO)C1 ZINC001046317046 801753840 /nfs/dbraw/zinc/75/38/40/801753840.db2.gz DSMPDBBVEWFALZ-ZFWWWQNUSA-N 2 0 281.400 -0.099 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](CCCO)C2)C1 ZINC001046839968 801797217 /nfs/dbraw/zinc/79/72/17/801797217.db2.gz VIHAQWZHGMHEHA-TZMCWYRMSA-N 2 0 269.389 -0.099 20 0 CBADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001047324497 801834561 /nfs/dbraw/zinc/83/45/61/801834561.db2.gz RBDSVZFNRRNWJF-AGIUHOORSA-N 2 0 287.379 -0.056 20 0 CBADRP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001047595656 801908586 /nfs/dbraw/zinc/90/85/86/801908586.db2.gz IRWKXNIHYMPLJA-IHRRRGAJSA-N 2 0 299.415 -0.522 20 0 CBADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001047598282 801909141 /nfs/dbraw/zinc/90/91/41/801909141.db2.gz DMHZDSDIUKTTGZ-STQMWFEESA-N 2 0 299.390 -0.055 20 0 CBADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001047627674 801915963 /nfs/dbraw/zinc/91/59/63/801915963.db2.gz TXKOMKFJCSHVGV-IHRRRGAJSA-N 2 0 281.400 -0.148 20 0 CBADRP CC[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(N)=O)C[C@@H]2C1)[NH+](C)C ZINC001048887619 801978046 /nfs/dbraw/zinc/97/80/46/801978046.db2.gz DCQWYVJSIULOKQ-FVCCEPFGSA-N 2 0 296.415 -0.409 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1 ZINC001048896983 801978785 /nfs/dbraw/zinc/97/87/85/801978785.db2.gz MISOAZLVNHXRRL-MJBXVCDLSA-N 2 0 281.400 -0.147 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCCO)C[C@@H]2C1 ZINC001049059958 801994510 /nfs/dbraw/zinc/99/45/10/801994510.db2.gz KJGNYFZFRLCATC-KBXIAJHMSA-N 2 0 295.427 -0.043 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CCO)C[C@@H]3C2)C1 ZINC001049059288 801995517 /nfs/dbraw/zinc/99/55/17/801995517.db2.gz PTBUJLQYGJOYJD-MCIONIFRSA-N 2 0 281.400 -0.289 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[NH+](CCO)C[C@@H]3C2)C1 ZINC001049171741 802003634 /nfs/dbraw/zinc/00/36/34/802003634.db2.gz QENOQYADWRCYGI-MELADBBJSA-N 2 0 281.400 -0.289 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[NH+](CCO)C[C@@H]3C2)C1 ZINC001049171740 802004487 /nfs/dbraw/zinc/00/44/87/802004487.db2.gz QENOQYADWRCYGI-MCIONIFRSA-N 2 0 281.400 -0.289 20 0 CBADRP CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)CCO1 ZINC001051933419 802172593 /nfs/dbraw/zinc/17/25/93/802172593.db2.gz HMQZNERGRTVPAD-ZIAGYGMSSA-N 2 0 299.415 -0.208 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC(N)=O)CC1 ZINC001052498400 802201851 /nfs/dbraw/zinc/20/18/51/802201851.db2.gz HICXXGXHEFVCIF-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052713553 802215489 /nfs/dbraw/zinc/21/54/89/802215489.db2.gz ZUIYIAYXJCGWGC-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052871375 802222331 /nfs/dbraw/zinc/22/23/31/802222331.db2.gz GOQAMXTTZGTOSB-GFCCVEGCSA-N 2 0 294.399 -0.462 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CCO)CC2)C1 ZINC001052934293 802225326 /nfs/dbraw/zinc/22/53/26/802225326.db2.gz ISNIOZHKSBYXDK-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001054298453 802332841 /nfs/dbraw/zinc/33/28/41/802332841.db2.gz YZCCFHXONFNJEC-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1[NH2+]CCO ZINC001054734147 802367675 /nfs/dbraw/zinc/36/76/75/802367675.db2.gz ASXOYZMGWGZGOJ-AAEUAGOBSA-N 2 0 269.389 -0.101 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NCC2=CC[NH2+]CC2)nn1 ZINC001118148103 812479016 /nfs/dbraw/zinc/47/90/16/812479016.db2.gz MDQYQSSKCFWWQR-UHFFFAOYSA-N 2 0 264.333 -0.724 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@H](N3CCNC3=O)C2)C1 ZINC001119683139 812866411 /nfs/dbraw/zinc/86/64/11/812866411.db2.gz YLJNPVPUQPGMHW-BJDJZHNGSA-N 2 0 268.361 -0.673 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001121930910 813092605 /nfs/dbraw/zinc/09/26/05/813092605.db2.gz YDLYHWWQKPSWBY-GVXVVHGQSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@@]1(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C[C@H](O)C[NH2+]1 ZINC001122102674 813117803 /nfs/dbraw/zinc/11/78/03/813117803.db2.gz AUXOGOSZLFKTNY-SUNKGSAMSA-N 2 0 269.389 -0.006 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C[C@@H](O)C[NH2+]1 ZINC001122102673 813117845 /nfs/dbraw/zinc/11/78/45/813117845.db2.gz AUXOGOSZLFKTNY-JTNHKYCSSA-N 2 0 269.389 -0.006 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]C ZINC001122101152 813118031 /nfs/dbraw/zinc/11/80/31/813118031.db2.gz XOUQEXPWTVVGTI-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC001122103586 813118240 /nfs/dbraw/zinc/11/82/40/813118240.db2.gz OUXMSLVLOGKUKT-NWDGAFQWSA-N 2 0 268.405 -0.216 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCC2(C[NH2+]C2)CC1 ZINC001122130621 813121517 /nfs/dbraw/zinc/12/15/17/813121517.db2.gz XRUGJHOWWVCLKA-AWEZNQCLSA-N 2 0 267.373 -0.297 20 0 CBADRP C[C@]1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[C@H](O)C[NH2+]1 ZINC001122126145 813121772 /nfs/dbraw/zinc/12/17/72/813121772.db2.gz MDCVOOVVCGJKNS-VTPLQMEGSA-N 2 0 267.373 -0.313 20 0 CBADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCC[C@H]([NH2+]CCO)C1 ZINC001122176162 813128024 /nfs/dbraw/zinc/12/80/24/813128024.db2.gz VGVBYZJZSOMWJD-SGMGOOAPSA-N 2 0 267.373 -0.441 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCC[C@@H]([NH2+]CCO)C1)C1CCC1 ZINC001122175781 813128256 /nfs/dbraw/zinc/12/82/56/813128256.db2.gz PNSVESMPIRXXGU-VXGBXAGGSA-N 2 0 255.362 -0.313 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCSC ZINC001122419374 813162785 /nfs/dbraw/zinc/16/27/85/813162785.db2.gz PWDYNOBTYAIBOI-VHSXEESVSA-N 2 0 261.391 -0.486 20 0 CBADRP C[C@@H](NC(=O)CC(C)(C)[NH3+])[C@H]1C[N@H+](C)CCN1C ZINC001122449123 813166830 /nfs/dbraw/zinc/16/68/30/813166830.db2.gz SSMAVCBPGSEKHR-GHMZBOCLSA-N 2 0 256.394 -0.136 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129356652 813837742 /nfs/dbraw/zinc/83/77/42/813837742.db2.gz FDOLGAGFJMKOJH-UHFFFAOYSA-N 2 0 287.404 -0.161 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCO)C1 ZINC001129329172 813837853 /nfs/dbraw/zinc/83/78/53/813837853.db2.gz WKSAJUZITRZCGC-LBPRGKRZSA-N 2 0 257.378 -0.338 20 0 CBADRP CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294561 814237384 /nfs/dbraw/zinc/23/73/84/814237384.db2.gz NHONGOPQXQPOAM-LBPRGKRZSA-N 2 0 286.420 -0.051 20 0 CBADRP CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294730 814237429 /nfs/dbraw/zinc/23/74/29/814237429.db2.gz QZHSAGPMFZVRDU-LBPRGKRZSA-N 2 0 286.420 -0.195 20 0 CBADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001133291685 814237550 /nfs/dbraw/zinc/23/75/50/814237550.db2.gz WFYYKZFRSCZGJN-LLVKDONJSA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001133291486 814237777 /nfs/dbraw/zinc/23/77/77/814237777.db2.gz RPIGHOSMCZRYCS-ZDUSSCGKSA-N 2 0 287.404 -0.161 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415831 814249763 /nfs/dbraw/zinc/24/97/63/814249763.db2.gz QGFXMHLHHRMTBL-CYBMUJFWSA-N 2 0 286.420 -0.243 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001133845425 814305462 /nfs/dbraw/zinc/30/54/62/814305462.db2.gz FMHVXEFPVKJZFV-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]Cc1cnn(C)c1)[NH+](C)C ZINC001133982969 814333082 /nfs/dbraw/zinc/33/30/82/814333082.db2.gz QZMAXWPGKAXZML-LBPRGKRZSA-N 2 0 267.377 -0.034 20 0 CBADRP [NH3+]CC1(NC(=O)CN2CCc3sccc3C2)COC1 ZINC001142224071 814703930 /nfs/dbraw/zinc/70/39/30/814703930.db2.gz YWYODJNFLBUYHC-UHFFFAOYSA-N 2 0 281.381 -0.050 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)CCCC[NH+](C)C)C(N)=O ZINC001148360638 814940130 /nfs/dbraw/zinc/94/01/30/814940130.db2.gz YNLKMWXHTFIUBH-JTQLQIEISA-N 2 0 258.366 -0.702 20 0 CBADRP C[NH+](C)CCCCC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001148352483 814940416 /nfs/dbraw/zinc/94/04/16/814940416.db2.gz JXAIGRFXBRCLLA-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)CCCC[NH+](C)C)C1=O ZINC001148365229 814941199 /nfs/dbraw/zinc/94/11/99/814941199.db2.gz LTBCEVNPUJUVCK-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)CCCC[NH+](C)C)C1=O ZINC001148365230 814941558 /nfs/dbraw/zinc/94/15/58/814941558.db2.gz LTBCEVNPUJUVCK-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccccc1C(N)=O ZINC001148534942 814948710 /nfs/dbraw/zinc/94/87/10/814948710.db2.gz SDBGQSIMWJUCCH-UHFFFAOYSA-N 2 0 277.328 -0.140 20 0 CBADRP C[C@H](O)C[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148604249 814953326 /nfs/dbraw/zinc/95/33/26/814953326.db2.gz BLRQDTAROVJMSE-ZDUSSCGKSA-N 2 0 299.415 -0.520 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001148638726 814954066 /nfs/dbraw/zinc/95/40/66/814954066.db2.gz OXKKRIIVOVKHDU-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CCOCCOC ZINC001148638078 814954156 /nfs/dbraw/zinc/95/41/56/814954156.db2.gz AZNFUBNMVFCXRC-UHFFFAOYSA-N 2 0 275.393 -0.303 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]C[C@@H](O)COC ZINC001148638098 814954248 /nfs/dbraw/zinc/95/42/48/814954248.db2.gz CCSHQPKOHXHAJY-LLVKDONJSA-N 2 0 261.366 -0.959 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N(CC)CC ZINC001148638112 814954390 /nfs/dbraw/zinc/95/43/90/814954390.db2.gz CVBNTGIHTNFNFG-UHFFFAOYSA-N 2 0 286.420 -0.098 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001148638106 814955345 /nfs/dbraw/zinc/95/53/45/814955345.db2.gz CNVVDNCGUFIUAH-UHFFFAOYSA-N 2 0 294.399 -0.067 20 0 CBADRP C[C@H](C[NH2+]CCn1cncn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001321709636 803804627 /nfs/dbraw/zinc/80/46/27/803804627.db2.gz FDLADJCSSIFVDW-GFCCVEGCSA-N 2 0 292.387 -0.532 20 0 CBADRP C[C@@H](C[NH2+]CCn1cncn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001321849346 803827046 /nfs/dbraw/zinc/82/70/46/803827046.db2.gz MSLIEFOSNPDJCF-YNEHKIRRSA-N 2 0 294.403 -0.287 20 0 CBADRP CCNC(=O)C[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001322678311 803926284 /nfs/dbraw/zinc/92/62/84/803926284.db2.gz NMYRGVPKCALLCQ-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[C@H](C(=O)N(C)CCC[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001322791656 803938576 /nfs/dbraw/zinc/93/85/76/803938576.db2.gz BPTCEWPKHOGODU-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP O=C(Cn1ccnc1)N[C@@H](C[NH2+]CCCO)C1CC1 ZINC001323127126 803979849 /nfs/dbraw/zinc/97/98/49/803979849.db2.gz VLIBRWRSLIMTKR-LBPRGKRZSA-N 2 0 266.345 -0.250 20 0 CBADRP C[C@@H](O)C[NH2+]C1(CNC(=O)CCn2ccnc2)CC1 ZINC001323508680 804035752 /nfs/dbraw/zinc/03/57/52/804035752.db2.gz NJPHUWAGHJYCOI-LLVKDONJSA-N 2 0 266.345 -0.108 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001160456965 815625288 /nfs/dbraw/zinc/62/52/88/815625288.db2.gz WKQACJMCNMBYKO-LBPRGKRZSA-N 3 0 266.389 -0.747 20 0 CBADRP COCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001325036438 804226349 /nfs/dbraw/zinc/22/63/49/804226349.db2.gz FVSHKEVDLXYCKO-ZDUSSCGKSA-N 2 0 299.415 -0.161 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001325345455 804278481 /nfs/dbraw/zinc/27/84/81/804278481.db2.gz FDIAPIYXEWPEHH-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCC[NH3+] ZINC001325346223 804279924 /nfs/dbraw/zinc/27/99/24/804279924.db2.gz MBZAHXJTNHUVMC-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001325378059 804281185 /nfs/dbraw/zinc/28/11/85/804281185.db2.gz CYKSACISXBCQSH-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001325371486 804281750 /nfs/dbraw/zinc/28/17/50/804281750.db2.gz XRKCUPBEBGJZRV-WCQYABFASA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001325390491 804283215 /nfs/dbraw/zinc/28/32/15/804283215.db2.gz CCKRDNSFHXDMEC-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC001325395112 804283850 /nfs/dbraw/zinc/28/38/50/804283850.db2.gz XKAMKXGODRDDQU-FRRDWIJNSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001325703097 804305741 /nfs/dbraw/zinc/30/57/41/804305741.db2.gz KNSNMPBAEWHSSR-AVGNSLFASA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC001325696177 804306619 /nfs/dbraw/zinc/30/66/19/804306619.db2.gz QTTAMXWYUJMFQM-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCC2(O)CCC2)CC1 ZINC001325878941 804330718 /nfs/dbraw/zinc/33/07/18/804330718.db2.gz LGKLBXUMIALNRV-CYBMUJFWSA-N 2 0 271.405 -0.511 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@H]2C[N@H+](CCO)CCCO2)CC1 ZINC001150192897 815020576 /nfs/dbraw/zinc/02/05/76/815020576.db2.gz JIRBECQLXCWXAH-ZDUSSCGKSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241556 815022181 /nfs/dbraw/zinc/02/21/81/815022181.db2.gz PXVKVFPSFYTLQK-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150715405 815040513 /nfs/dbraw/zinc/04/05/13/815040513.db2.gz KJJFPRPHBNAXFQ-ZIAGYGMSSA-N 2 0 299.415 -0.330 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC001151056992 815054723 /nfs/dbraw/zinc/05/47/23/815054723.db2.gz PHMVPFRGZUKILJ-UWVGGRQHSA-N 2 0 297.321 -0.043 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCOCC(F)F)C1 ZINC001151055952 815055635 /nfs/dbraw/zinc/05/56/35/815055635.db2.gz IYGJSDPPDDJVQZ-SNVBAGLBSA-N 2 0 279.331 -0.074 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCOC[C@H]2CCCO2)C1 ZINC001151066738 815058122 /nfs/dbraw/zinc/05/81/22/815058122.db2.gz YIASEECULRFDDV-UONOGXRCSA-N 2 0 299.415 -0.161 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCCN2CCCC2=O)C1 ZINC001151074561 815059077 /nfs/dbraw/zinc/05/90/77/815059077.db2.gz ZZMFBPMWIMKBQM-CYBMUJFWSA-N 2 0 296.415 -0.344 20 0 CBADRP CN1CCC[C@@H]([NH2+]CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001151097290 815059840 /nfs/dbraw/zinc/05/98/40/815059840.db2.gz MRXBQMULSDKRSS-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]CC(=O)N1CCCC1 ZINC001151097179 815059939 /nfs/dbraw/zinc/05/99/39/815059939.db2.gz KOAJJVZPWDPAPR-UHFFFAOYSA-N 2 0 282.388 -0.590 20 0 CBADRP O=C(C[NH2+]CCNC(=O)C[NH+]1CCCC1)NC1CC1 ZINC001151096628 815060219 /nfs/dbraw/zinc/06/02/19/815060219.db2.gz DDSIVPDNPLNJAX-UHFFFAOYSA-N 2 0 268.361 -0.933 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001151106748 815061506 /nfs/dbraw/zinc/06/15/06/815061506.db2.gz GDIGJLOMZOKDAJ-CYBMUJFWSA-N 2 0 295.387 -0.954 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001151114862 815061813 /nfs/dbraw/zinc/06/18/13/815061813.db2.gz QTXICKXOOIBDBA-UHFFFAOYSA-N 2 0 296.415 -0.200 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001151106749 815061931 /nfs/dbraw/zinc/06/19/31/815061931.db2.gz GDIGJLOMZOKDAJ-ZDUSSCGKSA-N 2 0 295.387 -0.954 20 0 CBADRP C[C@@H](O)CCC[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151101030 815062384 /nfs/dbraw/zinc/06/23/84/815062384.db2.gz JCBMADCELHSSJU-GFCCVEGCSA-N 2 0 257.378 -0.051 20 0 CBADRP COc1nccc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)n1 ZINC001151098407 815062822 /nfs/dbraw/zinc/06/28/22/815062822.db2.gz ZSKXLLVLRDJDDQ-UHFFFAOYSA-N 2 0 293.371 -0.213 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151156502 815065359 /nfs/dbraw/zinc/06/53/59/815065359.db2.gz DRPZRJHXNJVDJS-VXGBXAGGSA-N 2 0 273.377 -0.959 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001072544340 805311445 /nfs/dbraw/zinc/31/14/45/805311445.db2.gz JPBIDVSSUHEPHR-NWDGAFQWSA-N 2 0 294.399 -0.511 20 0 CBADRP C[C@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072553850 805312151 /nfs/dbraw/zinc/31/21/51/805312151.db2.gz LHLNRKFJFGNZPS-STQMWFEESA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]C[C@H](C)O ZINC001151156499 815066150 /nfs/dbraw/zinc/06/61/50/815066150.db2.gz DRPZRJHXNJVDJS-NEPJUHHUSA-N 2 0 273.377 -0.959 20 0 CBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001072677026 805327079 /nfs/dbraw/zinc/32/70/79/805327079.db2.gz KFCJDTXSWOOBDY-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP C[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CCO)C3)CC1 ZINC001072941583 805350569 /nfs/dbraw/zinc/35/05/69/805350569.db2.gz XZEQJROVJXCHLE-UHFFFAOYSA-N 2 0 281.400 -0.145 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001073430517 805370522 /nfs/dbraw/zinc/37/05/22/805370522.db2.gz GBENUJFAALGWDC-UHFFFAOYSA-N 2 0 267.373 -0.391 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CCO)[C@@H]2C)C1 ZINC001074878430 805475898 /nfs/dbraw/zinc/47/58/98/805475898.db2.gz VBZQPEUCCAKQIO-AGIUHOORSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)[C@@H]1C)[NH+](C)C ZINC001074885605 805476162 /nfs/dbraw/zinc/47/61/62/805476162.db2.gz NTRRVHAYRXLFEL-BJDJZHNGSA-N 2 0 284.404 -0.221 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C)C(N)=O ZINC001075042032 805481261 /nfs/dbraw/zinc/48/12/61/805481261.db2.gz CCQDFZRKRGFAKX-WOPDTQHZSA-N 2 0 294.399 -0.465 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001075042323 805481548 /nfs/dbraw/zinc/48/15/48/805481548.db2.gz KKOCVXHEIAEECE-TUAOUCFPSA-N 2 0 282.388 -0.608 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCC([NH3+])CC1 ZINC001160511376 815630956 /nfs/dbraw/zinc/63/09/56/815630956.db2.gz OBALZEWOCFNRQH-LBPRGKRZSA-N 3 0 256.394 -0.005 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ncnc2[nH]ccc21 ZINC001151876746 815097037 /nfs/dbraw/zinc/09/70/37/815097037.db2.gz JEHHIVSJXNRDDE-UHFFFAOYSA-N 2 0 275.316 -0.016 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])C(=O)c1ccn2c[nH+]cc2c1 ZINC001151895985 815097563 /nfs/dbraw/zinc/09/75/63/815097563.db2.gz STTPZWCLPPUARE-UHFFFAOYSA-N 2 0 282.325 -0.305 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152146394 815108618 /nfs/dbraw/zinc/10/86/18/815108618.db2.gz JICOLVZJSCPFDH-TXEJJXNPSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001152237171 815112702 /nfs/dbraw/zinc/11/27/02/815112702.db2.gz JFQVLJSSVWBFIN-GFCCVEGCSA-N 2 0 284.404 -0.168 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340925 815116136 /nfs/dbraw/zinc/11/61/36/815116136.db2.gz ZVPVUFDZDGVMLJ-ZDUSSCGKSA-N 2 0 287.404 -0.425 20 0 CBADRP O=C(CC[NH+]1CCCCC1)NCC[NH2+][C@H]1CCCNC1=O ZINC001152340210 815116593 /nfs/dbraw/zinc/11/65/93/815116593.db2.gz IWWLBYORENAWDH-ZDUSSCGKSA-N 2 0 296.415 -0.153 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340526 815116764 /nfs/dbraw/zinc/11/67/64/815116764.db2.gz QNEHZYFMTSHQFG-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP C[NH+](C)Cc1ccccc1C(=O)NCC[NH2+]CC(N)=O ZINC001152393455 815119034 /nfs/dbraw/zinc/11/90/34/815119034.db2.gz OSVVNQWSAZRNHB-UHFFFAOYSA-N 2 0 278.356 -0.447 20 0 CBADRP CC[N@H+](CCO)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152392321 815119362 /nfs/dbraw/zinc/11/93/62/815119362.db2.gz MIQZNAVUBDUXPT-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152431741 815120833 /nfs/dbraw/zinc/12/08/33/815120833.db2.gz CJIJNWQKXZGJQI-UHFFFAOYSA-N 2 0 286.420 -0.195 20 0 CBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152439891 815120883 /nfs/dbraw/zinc/12/08/83/815120883.db2.gz UGTTWWCAURGNAK-GFCCVEGCSA-N 2 0 286.420 -0.053 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001152439214 815121028 /nfs/dbraw/zinc/12/10/28/815121028.db2.gz FOUHDWIBPDTGIP-UHFFFAOYSA-N 2 0 284.404 -0.441 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001152432106 815121061 /nfs/dbraw/zinc/12/10/61/815121061.db2.gz FUOMBRVIQCDICZ-LLVKDONJSA-N 2 0 270.377 -0.737 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152432576 815121135 /nfs/dbraw/zinc/12/11/35/815121135.db2.gz LNEPYZGTMJVCII-JTQLQIEISA-N 2 0 258.366 -0.833 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152439833 815121191 /nfs/dbraw/zinc/12/11/91/815121191.db2.gz RYFQBCDYHVYPPL-UHFFFAOYSA-N 2 0 272.393 -0.489 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001152439898 815121270 /nfs/dbraw/zinc/12/12/70/815121270.db2.gz UNRTUAJVCGUOOV-UHFFFAOYSA-N 2 0 294.399 -0.069 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001152445583 815122928 /nfs/dbraw/zinc/12/29/28/815122928.db2.gz JZEIAQDDWFBESO-UHFFFAOYSA-N 2 0 297.359 -0.341 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CC)C(N)=O ZINC001152458352 815124054 /nfs/dbraw/zinc/12/40/54/815124054.db2.gz NYTKJMXGZBHREO-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001152459119 815124070 /nfs/dbraw/zinc/12/40/70/815124070.db2.gz ZDADISFPNKRLRH-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(N)=O)[NH+]1CCCCC1 ZINC001152480639 815124206 /nfs/dbraw/zinc/12/42/06/815124206.db2.gz YHYKVDFQZQDCSZ-ZDUSSCGKSA-N 2 0 284.404 -0.312 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001152480354 815124507 /nfs/dbraw/zinc/12/45/07/815124507.db2.gz RGPHDHDRJQTDPZ-AWEZNQCLSA-N 2 0 298.431 -0.051 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cc2cncnc2[nH]1 ZINC001152997043 815145290 /nfs/dbraw/zinc/14/52/90/815145290.db2.gz ZHYUXBNASRDNSO-UHFFFAOYSA-N 2 0 275.316 -0.016 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1c1ncnc2c1CC[NH2+]CC2 ZINC001154960489 815254410 /nfs/dbraw/zinc/25/44/10/815254410.db2.gz BOIKNLLJMMVEJS-GFCCVEGCSA-N 2 0 291.399 -0.068 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1c1cc(C[NH3+])ncn1 ZINC001154969813 815255007 /nfs/dbraw/zinc/25/50/07/815255007.db2.gz SNBRMWHLOJGMCJ-NSHDSACASA-N 2 0 251.334 -0.298 20 0 CBADRP CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999720 815256322 /nfs/dbraw/zinc/25/63/22/815256322.db2.gz LOLHVXGHSRGZHJ-CHWSQXEVSA-N 2 0 289.420 -0.228 20 0 CBADRP CCOC(=O)c1c(C[NH3+])ncn1-c1cc(C[NH3+])ncn1 ZINC001155078791 815261975 /nfs/dbraw/zinc/26/19/75/815261975.db2.gz WZXKAXYUKSJWRQ-UHFFFAOYSA-N 2 0 276.300 -0.244 20 0 CBADRP [NH3+]Cc1cc(NCc2nnn3c2C[NH2+]CCC3)ncn1 ZINC001155393819 815282009 /nfs/dbraw/zinc/28/20/09/815282009.db2.gz GVDQRXYJXXZLAK-UHFFFAOYSA-N 2 0 274.332 -0.368 20 0 CBADRP Cc1cnc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)c(C[NH3+])c1 ZINC001155573783 815296943 /nfs/dbraw/zinc/29/69/43/815296943.db2.gz COJCNCYIGYOYDF-ZWNOBZJWSA-N 2 0 261.329 -0.161 20 0 CBADRP [NH3+]C1CCN(c2cccc(NC[C@@H](O)CO)[nH+]2)CC1 ZINC001155646365 815303257 /nfs/dbraw/zinc/30/32/57/815303257.db2.gz LGIQJYBUIORVBX-LLVKDONJSA-N 2 0 266.345 -0.226 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001155790695 815311213 /nfs/dbraw/zinc/31/12/13/815311213.db2.gz MGEPWDOETMRYRR-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP CCn1ncnc1C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155789924 815311666 /nfs/dbraw/zinc/31/16/66/815311666.db2.gz HXUCIPQSQJRDTB-LBPRGKRZSA-N 2 0 294.403 -0.012 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCN1CCCC1=O ZINC001155803214 815312479 /nfs/dbraw/zinc/31/24/79/815312479.db2.gz YWFLFQDJUQCIHK-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155812877 815314247 /nfs/dbraw/zinc/31/42/47/815314247.db2.gz OTGACXBUVUIZJO-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NC1CC1 ZINC001155822603 815314293 /nfs/dbraw/zinc/31/42/93/815314293.db2.gz VSFYOQZCAQTTKW-AAEUAGOBSA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155812878 815314901 /nfs/dbraw/zinc/31/49/01/815314901.db2.gz OTGACXBUVUIZJO-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP Cc1cc(C[NH3+])nn1-c1cncc(N2CC[NH2+]CC2)n1 ZINC001156039925 815333838 /nfs/dbraw/zinc/33/38/38/815333838.db2.gz ZPZIMDWITKGNGB-UHFFFAOYSA-N 2 0 273.344 -0.161 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cn2ccnc2cn1 ZINC001156208787 815345305 /nfs/dbraw/zinc/34/53/05/815345305.db2.gz DBXDYKUBENNENH-UHFFFAOYSA-N 2 0 275.316 -0.196 20 0 CBADRP Cc1cnc(N(C)S(=O)(=O)CC[NH3+])nc1C1C[NH2+]C1 ZINC001156240131 815350489 /nfs/dbraw/zinc/35/04/89/815350489.db2.gz HYBKLDGIBSQTOH-UHFFFAOYSA-N 2 0 285.373 -0.803 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086271905 810253565 /nfs/dbraw/zinc/25/35/65/810253565.db2.gz OCUYRVLWDUCHTA-NDBYEHHHSA-N 2 0 269.389 -0.197 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001086327432 810260564 /nfs/dbraw/zinc/26/05/64/810260564.db2.gz DUZZJJKOQIZKMI-CYDGBPFRSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001086402220 810267119 /nfs/dbraw/zinc/26/71/19/810267119.db2.gz MUIDTEIIVKIPCB-CYDGBPFRSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)CC1 ZINC001086466617 810272621 /nfs/dbraw/zinc/27/26/21/810272621.db2.gz LYNBUHBNJWTOCV-AULYBMBSSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001086476801 810274381 /nfs/dbraw/zinc/27/43/81/810274381.db2.gz DUZDDLLIMKLGNY-ZDEQEGDKSA-N 2 0 269.389 -0.339 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001086551530 810278548 /nfs/dbraw/zinc/27/85/48/810278548.db2.gz DKELJUMRICMOOM-CYDGBPFRSA-N 2 0 296.415 -0.314 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCO)C2)C1 ZINC001086875549 810287988 /nfs/dbraw/zinc/28/79/88/810287988.db2.gz XETVESPIOHTYPK-RWMBFGLXSA-N 2 0 269.389 -0.195 20 0 CBADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C1)[NH+](C)C ZINC001088109422 810321442 /nfs/dbraw/zinc/32/14/42/810321442.db2.gz DURNCLPFYOBWGM-AGIUHOORSA-N 2 0 296.415 -0.408 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001088425150 810330261 /nfs/dbraw/zinc/33/02/61/810330261.db2.gz OKUSMLMSCHASBC-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCO)[C@@H]2C)C1 ZINC001088859380 810364370 /nfs/dbraw/zinc/36/43/70/810364370.db2.gz APXHEDVMNOKKPU-UPJWGTAASA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCO ZINC001089039145 810374922 /nfs/dbraw/zinc/37/49/22/810374922.db2.gz XYZFLSBHVPWJAN-WOPDTQHZSA-N 2 0 255.362 -0.491 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CCO)C[C@H]2O)C1 ZINC001090572664 810526953 /nfs/dbraw/zinc/52/69/53/810526953.db2.gz HVHOQFBZOBJXIK-CHWSQXEVSA-N 2 0 299.415 -0.738 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090814494 810570340 /nfs/dbraw/zinc/57/03/40/810570340.db2.gz JSNSRUTXHZJLMN-CHWSQXEVSA-N 2 0 285.388 -0.984 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090818964 810572987 /nfs/dbraw/zinc/57/29/87/810572987.db2.gz YMVNWPBMBISJIP-STQMWFEESA-N 2 0 285.388 -0.720 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1-c1ncc2c(n1)C[NH2+]C2 ZINC001156829189 815383661 /nfs/dbraw/zinc/38/36/61/815383661.db2.gz JXTOLVUCXGMOFN-UHFFFAOYSA-N 2 0 257.301 -0.488 20 0 CBADRP N=c1cc(C[NH3+])ccn1-c1ncnc2c1CC[NH2+]C2 ZINC001156850359 815384734 /nfs/dbraw/zinc/38/47/34/815384734.db2.gz YFGVLDGDPDBBFO-UHFFFAOYSA-N 2 0 256.313 -0.149 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)CC[NH+]1C ZINC001092620347 810635903 /nfs/dbraw/zinc/63/59/03/810635903.db2.gz CWUSZJGYLUQWOU-FDYHWXHSSA-N 2 0 296.415 -0.504 20 0 CBADRP N=c1cc(C[NH3+])ccn1-c1cc2c(nn1)CC[NH2+]C2 ZINC001156851047 815385438 /nfs/dbraw/zinc/38/54/38/815385438.db2.gz VPOSMIYJNPFGGO-UHFFFAOYSA-N 2 0 256.313 -0.149 20 0 CBADRP C[C@H]1CC(=O)CCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160642896 815650022 /nfs/dbraw/zinc/65/00/22/815650022.db2.gz RCFCUQHUVFYXIJ-GWCFXTLKSA-N 2 0 282.388 -0.683 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001157006829 815399215 /nfs/dbraw/zinc/39/92/15/815399215.db2.gz QAHDHFHTAKWIMK-NSHDSACASA-N 2 0 255.362 -0.084 20 0 CBADRP CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001157081875 815403865 /nfs/dbraw/zinc/40/38/65/815403865.db2.gz DIMBDQOTWLOLMP-QWRGUYRKSA-N 2 0 297.359 -0.934 20 0 CBADRP COC(=O)c1cnc(NC(=[NH2+])NCCCC[NH3+])cn1 ZINC001157093463 815403883 /nfs/dbraw/zinc/40/38/83/815403883.db2.gz BOEZMBIBVBMOOY-UHFFFAOYSA-N 2 0 266.305 -0.062 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])Nc1ncc2c(n1)CC[NH2+]C2 ZINC001157094231 815404047 /nfs/dbraw/zinc/40/40/47/815404047.db2.gz NYMJQYKXLLHLSQ-UHFFFAOYSA-N 3 0 263.349 -0.203 20 0 CBADRP COC(=O)c1cnc(NC(=[NH2+])NCCCC[NH3+])nc1 ZINC001157094595 815404316 /nfs/dbraw/zinc/40/43/16/815404316.db2.gz UOTQVOHWKVVSHS-UHFFFAOYSA-N 2 0 266.305 -0.062 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1cc2n(n1)CCCO2 ZINC001157081903 815404419 /nfs/dbraw/zinc/40/44/19/815404419.db2.gz FFUJICFQJFXAMD-SNVBAGLBSA-N 2 0 267.333 -0.652 20 0 CBADRP NC(=O)c1cc(F)cnc1NC(=[NH2+])NCCCC[NH3+] ZINC001157099696 815404754 /nfs/dbraw/zinc/40/47/54/815404754.db2.gz TYFARTFPZULQAZ-UHFFFAOYSA-N 2 0 268.296 -0.005 20 0 CBADRP NC(=O)c1nc(Cl)cnc1NC(=[NH2+])NCCCC[NH3+] ZINC001157097439 815404863 /nfs/dbraw/zinc/40/48/63/815404863.db2.gz XDTOYDLUAJYXFA-UHFFFAOYSA-N 2 0 285.739 -0.096 20 0 CBADRP COC(=O)c1cncnc1NC(=[NH2+])NCCCC[NH3+] ZINC001157097269 815405189 /nfs/dbraw/zinc/40/51/89/815405189.db2.gz USSKVTYONFCZCP-UHFFFAOYSA-N 2 0 266.305 -0.062 20 0 CBADRP C[N@H+](CC(=O)N[C@H]1CC[NH+](CCCO)C[C@@H]1O)C1CCC1 ZINC001099879960 810959160 /nfs/dbraw/zinc/95/91/60/810959160.db2.gz SLVWHZKEBZJZQW-KBPBESRZSA-N 2 0 299.415 -0.596 20 0 CBADRP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CCO)C[C@@H]1O)C1CCC1 ZINC001099879317 810960516 /nfs/dbraw/zinc/96/05/16/810960516.db2.gz IRKWAHARZVCYKA-OLZOCXBDSA-N 2 0 285.388 -0.986 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC)C[C@H]1O ZINC001100064198 811010267 /nfs/dbraw/zinc/01/02/67/811010267.db2.gz JUMSQCIIPUXPBH-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001100077018 811014494 /nfs/dbraw/zinc/01/44/94/811014494.db2.gz WQQVYLZZPDMSGV-KGLIPLIRSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076528 811014598 /nfs/dbraw/zinc/01/45/98/811014598.db2.gz MQDZTXUPVRSLRD-VXGBXAGGSA-N 2 0 273.377 -0.864 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCO)C[C@@H]1O ZINC001100083263 811016248 /nfs/dbraw/zinc/01/62/48/811016248.db2.gz PETPVYGRKPPADL-STQMWFEESA-N 2 0 287.404 -0.738 20 0 CBADRP CCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100109185 811023437 /nfs/dbraw/zinc/02/34/37/811023437.db2.gz AOZKJCVHVKKDBL-KGLIPLIRSA-N 2 0 299.415 -0.330 20 0 CBADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100124261 811024494 /nfs/dbraw/zinc/02/44/94/811024494.db2.gz FSAHYFSFICUMCH-ZIAGYGMSSA-N 2 0 299.415 -0.594 20 0 CBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001100409958 811056284 /nfs/dbraw/zinc/05/62/84/811056284.db2.gz SDBPEXUVUCAKLA-UHFFFAOYSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100619889 811066153 /nfs/dbraw/zinc/06/61/53/811066153.db2.gz NNAFBGXCCHYQAJ-HIFPTAJRSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)CCCC(=O)NCC1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001100619781 811066578 /nfs/dbraw/zinc/06/65/78/811066578.db2.gz IAADFRWXPPZRRA-BPCQOVAHSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]([NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001100619931 811066632 /nfs/dbraw/zinc/06/66/32/811066632.db2.gz OWCOQKXBGSGRBM-VOMCLLRMSA-N 2 0 284.404 -0.314 20 0 CBADRP CCCNC(=O)C[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637409 811069215 /nfs/dbraw/zinc/06/92/15/811069215.db2.gz QNQVFSUANDHJOX-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP CCN(C)C(=O)C[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100636807 811069411 /nfs/dbraw/zinc/06/94/11/811069411.db2.gz LVGOJQOXZYDQHH-UHFFFAOYSA-N 2 0 298.431 -0.099 20 0 CBADRP Cn1cnnc1C[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100636715 811069571 /nfs/dbraw/zinc/06/95/71/811069571.db2.gz GWJZIZWJAVFSLA-UHFFFAOYSA-N 2 0 294.403 -0.249 20 0 CBADRP C[NH+](C)CCC(=O)NCC1CC([NH2+]CCOCCO)C1 ZINC001100637259 811069769 /nfs/dbraw/zinc/06/97/69/811069769.db2.gz JNSSSLFUAPYPBM-UHFFFAOYSA-N 2 0 287.404 -0.569 20 0 CBADRP C[NH+](C)CCC(=O)NCC1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001100637483 811071067 /nfs/dbraw/zinc/07/10/67/811071067.db2.gz TZAZVXOTITWXRQ-MCIGGMRASA-N 2 0 282.388 -0.689 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)NCC2CC([NH2+]CC(N)=O)C2)C1 ZINC001100681053 811071825 /nfs/dbraw/zinc/07/18/25/811071825.db2.gz TVOMSCUNPKZOQC-UHFFFAOYSA-N 2 0 296.415 -0.312 20 0 CBADRP CCNC(=O)C[NH2+]C1CC(CNC(=O)C[NH+](CC)CC)C1 ZINC001100769358 811077259 /nfs/dbraw/zinc/07/72/59/811077259.db2.gz GHTUIRZIGDHAJJ-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+][C@H](C)C(=O)NC)C1 ZINC001100770976 811078455 /nfs/dbraw/zinc/07/84/55/811078455.db2.gz SIDFRRVVSZRIOV-PNESKVBLSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001100829609 811081564 /nfs/dbraw/zinc/08/15/64/811081564.db2.gz CMTUPHCMXPKOPS-BPCQOVAHSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+][C@@H](C)C(=O)NC)C1 ZINC001100831426 811081804 /nfs/dbraw/zinc/08/18/04/811081804.db2.gz VMNAHJMOTBQUQI-HIFPTAJRSA-N 2 0 298.431 -0.053 20 0 CBADRP COCC[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100870593 811083253 /nfs/dbraw/zinc/08/32/53/811083253.db2.gz JWFUYDDXOPIHIP-UHFFFAOYSA-N 2 0 287.404 -0.305 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001100901615 811084205 /nfs/dbraw/zinc/08/42/05/811084205.db2.gz FFZPKADGAQJQEQ-BPCQOVAHSA-N 2 0 296.415 -0.299 20 0 CBADRP CCNC(=O)C[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100986320 811089844 /nfs/dbraw/zinc/08/98/44/811089844.db2.gz QLTVWNFOMXBDNS-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001101352156 811104775 /nfs/dbraw/zinc/10/47/75/811104775.db2.gz UZUUOZQYQIMQDG-RISCZKNCSA-N 2 0 282.388 -0.796 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]C[C@H](F)C1 ZINC001157322964 815423095 /nfs/dbraw/zinc/42/30/95/815423095.db2.gz GMURXKPFPUVNFS-MXWKQRLJSA-N 2 0 288.367 -0.706 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@]12CC[C@@H]1C[NH2+]C2 ZINC001157322993 815423160 /nfs/dbraw/zinc/42/31/60/815423160.db2.gz HOSLHNMOESFFSD-SUNKGSAMSA-N 2 0 282.388 -0.654 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC001157323382 815423357 /nfs/dbraw/zinc/42/33/57/815423357.db2.gz OZMKNYWNIOHBAD-WOPDTQHZSA-N 2 0 284.404 -0.266 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]12CC[C@@H]1C[NH2+]C2 ZINC001157322994 815423505 /nfs/dbraw/zinc/42/35/05/815423505.db2.gz HOSLHNMOESFFSD-UHIISALHSA-N 2 0 282.388 -0.654 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C(C)(C)C[NH3+] ZINC001157322935 815423580 /nfs/dbraw/zinc/42/35/80/815423580.db2.gz FDLZUGVAVXMGES-VIFPVBQESA-N 2 0 258.366 -0.669 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC2(CC2)C[NH2+]1 ZINC001157335803 815424068 /nfs/dbraw/zinc/42/40/68/815424068.db2.gz KAHMTIUFCXGGCY-QWRGUYRKSA-N 2 0 282.388 -0.512 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001102104379 811145460 /nfs/dbraw/zinc/14/54/60/811145460.db2.gz SNWUXUFOEJKTDT-VXGBXAGGSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047696 811146760 /nfs/dbraw/zinc/14/67/60/811146760.db2.gz QBZXLJGBYJWMMC-MPKXVKKWSA-N 2 0 296.415 -0.504 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(N)=O)C[C@H]2C)C1 ZINC001102369776 811153304 /nfs/dbraw/zinc/15/33/04/811153304.db2.gz GTLACLLAYOGJDJ-JHJVBQTASA-N 2 0 296.415 -0.502 20 0 CBADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579825 811161199 /nfs/dbraw/zinc/16/11/99/811161199.db2.gz RJGHIHNUXDWJDB-CHWSQXEVSA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001104621431 811207774 /nfs/dbraw/zinc/20/77/74/811207774.db2.gz DMQRIQRFHJWISB-JHJVBQTASA-N 2 0 298.431 -0.114 20 0 CBADRP [NH3+]CCCC[C@H](NC(=O)C1([NH3+])CC1)C(=O)N1CCCC1 ZINC001157371034 815429712 /nfs/dbraw/zinc/42/97/12/815429712.db2.gz MIUQTXADMJRABY-NSHDSACASA-N 2 0 282.388 -0.286 20 0 CBADRP Cn1ccnc1CCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001157423301 815433132 /nfs/dbraw/zinc/43/31/32/815433132.db2.gz RFYNCVSJIQSIHZ-GFCCVEGCSA-N 2 0 291.399 -0.047 20 0 CBADRP CCOC(=O)c1c[nH]nc1CNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001157439285 815433801 /nfs/dbraw/zinc/43/38/01/815433801.db2.gz COFSMALXJPNAMY-SECBINFHSA-N 2 0 283.332 -0.731 20 0 CBADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106254934 811303993 /nfs/dbraw/zinc/30/39/93/811303993.db2.gz BUMLWMAWSPQTNM-VXGBXAGGSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001106623047 811312721 /nfs/dbraw/zinc/31/27/21/811312721.db2.gz FBMWWSOVYCQJDM-IJLUTSLNSA-N 2 0 284.404 -0.504 20 0 CBADRP [NH3+]Cc1cnn(-c2cncc(N3CC[NH2+]CC3)n2)c1 ZINC001157474612 815437899 /nfs/dbraw/zinc/43/78/99/815437899.db2.gz HFYMVAMRADXOPL-UHFFFAOYSA-N 2 0 259.317 -0.469 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C2)C1 ZINC001106666806 811313882 /nfs/dbraw/zinc/31/38/82/811313882.db2.gz WIVQEBBODQURKJ-JHJVBQTASA-N 2 0 296.415 -0.502 20 0 CBADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1)[NH+](C)C ZINC001106673644 811314074 /nfs/dbraw/zinc/31/40/74/811314074.db2.gz KDMJIBDWBNMOBL-UTUOFQBUSA-N 2 0 284.404 -0.504 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(N)=O ZINC001106981710 811321429 /nfs/dbraw/zinc/32/14/29/811321429.db2.gz ZXTAOOIJBPANGK-IJLUTSLNSA-N 2 0 282.388 -0.893 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCn2cnnc2C1 ZINC001157506984 815440197 /nfs/dbraw/zinc/44/01/97/815440197.db2.gz COUNYEAOEKMDLY-JTQLQIEISA-N 2 0 266.349 -0.533 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC(N2CC(F)C2)C1 ZINC001157525415 815441488 /nfs/dbraw/zinc/44/14/88/815441488.db2.gz BZMIIUZEJUEBLF-LBPRGKRZSA-N 2 0 272.368 -0.432 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C[C@H]1F ZINC001157536496 815442209 /nfs/dbraw/zinc/44/22/09/815442209.db2.gz NYXBMFUMDRAGLH-LOWDOPEQSA-N 2 0 284.379 -0.432 20 0 CBADRP Cc1cnc(-n2ccnc2C(N)=[NH2+])nc1C1C[NH2+]C1 ZINC001157629520 815449428 /nfs/dbraw/zinc/44/94/28/815449428.db2.gz RSHPWCSGLFOARZ-UHFFFAOYSA-N 2 0 257.301 -0.058 20 0 CBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157544721 815444226 /nfs/dbraw/zinc/44/42/26/815444226.db2.gz IFGLVGVCUVFIAJ-VWYCJHECSA-N 2 0 274.340 -0.872 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@H]2CC[C@@]3(C2)C[NH2+]CCO3)C1 ZINC001157634167 815449591 /nfs/dbraw/zinc/44/95/91/815449591.db2.gz WQOMJHQRGWPRFL-GXFFZTMASA-N 2 0 253.346 -0.295 20 0 CBADRP NC(=[NH2+])c1nccn1-c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001157622915 815448753 /nfs/dbraw/zinc/44/87/53/815448753.db2.gz KXPKNGZQWIFXOQ-UHFFFAOYSA-N 2 0 299.338 -0.403 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC001157633246 815449253 /nfs/dbraw/zinc/44/92/53/815449253.db2.gz MHAASMZEMMNAEY-RNFRBKRXSA-N 2 0 251.252 -0.056 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001109672396 811499662 /nfs/dbraw/zinc/49/96/62/811499662.db2.gz DFMFYGIINDGNPP-WOPDTQHZSA-N 2 0 255.362 -0.348 20 0 CBADRP CN(Cc1ncccn1)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157681428 815452958 /nfs/dbraw/zinc/45/29/58/815452958.db2.gz HQXFSGBXMOHHAN-JTQLQIEISA-N 2 0 261.329 -0.756 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC(F)(C2CC2)C1 ZINC001157708540 815455617 /nfs/dbraw/zinc/45/56/17/815455617.db2.gz VEYNHLWKVIACTF-GFCCVEGCSA-N 2 0 284.379 -0.303 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])Cc1cccc(O)c1 ZINC001157715904 815455191 /nfs/dbraw/zinc/45/51/91/815455191.db2.gz KTXUXCQYLYJNRS-KBPBESRZSA-N 2 0 293.367 -0.291 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001157715854 815455647 /nfs/dbraw/zinc/45/56/47/815455647.db2.gz JSRCZTRKGUFVTD-STQMWFEESA-N 3 0 286.420 -0.508 20 0 CBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001157716130 815455704 /nfs/dbraw/zinc/45/57/04/815455704.db2.gz LAPRPZQKPWIMNC-OLZOCXBDSA-N 3 0 296.415 -0.693 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)C[C@H]2C[NH2+]CCO2)C1 ZINC001157716673 815455781 /nfs/dbraw/zinc/45/57/81/815455781.db2.gz QNIAYXNNILVNPL-IJLUTSLNSA-N 2 0 255.362 -0.179 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCOCC(F)(F)C1 ZINC001157708427 815455849 /nfs/dbraw/zinc/45/58/49/815455849.db2.gz PGJKXZPWEHKFLJ-VIFPVBQESA-N 2 0 265.304 -0.063 20 0 CBADRP COC(=O)[C@]1(F)CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001157714934 815455874 /nfs/dbraw/zinc/45/58/74/815455874.db2.gz APTVOKAGBIQAOV-HONMWMINSA-N 2 0 299.346 -0.701 20 0 CBADRP COC(=O)[C@]1(F)CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001157714937 815455945 /nfs/dbraw/zinc/45/59/45/815455945.db2.gz AQFXBQBJKRESLJ-KWQFWETISA-N 2 0 293.364 -0.881 20 0 CBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001157717347 815456644 /nfs/dbraw/zinc/45/66/44/815456644.db2.gz ZRWYLDSOCNHLEN-AXFHLTTASA-N 2 0 259.325 -0.477 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC(F)(F)CC[C@@H]1CO ZINC001157730396 815457782 /nfs/dbraw/zinc/45/77/82/815457782.db2.gz KJWSGAOUFHRHIT-RKDXNWHRSA-N 2 0 265.304 -0.329 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC(F)(F)CC[C@H]1CO ZINC001157730394 815458390 /nfs/dbraw/zinc/45/83/90/815458390.db2.gz KJWSGAOUFHRHIT-DTWKUNHWSA-N 2 0 265.304 -0.329 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC(F)(F)CC[C@@H]1CO ZINC001157730034 815458490 /nfs/dbraw/zinc/45/84/90/815458490.db2.gz GYWINQOGCYVAML-NXEZZACHSA-N 2 0 289.326 -0.586 20 0 CBADRP N[C@]1(C(=O)N2CCC[C@@](F)(C[NH3+])CC2)CC[NH2+]C1 ZINC001157743968 815461622 /nfs/dbraw/zinc/46/16/22/815461622.db2.gz JJGWFYIDHNUPPS-NWDGAFQWSA-N 2 0 258.341 -0.643 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@H](CO)C[C@H](F)C1 ZINC001157731407 815459467 /nfs/dbraw/zinc/45/94/67/815459467.db2.gz UPJZPZVCGYYVCN-VWYCJHECSA-N 2 0 261.341 -0.378 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](F)C(=O)C1 ZINC001157730871 815459859 /nfs/dbraw/zinc/45/98/59/815459859.db2.gz SMXPIIBOLUKJCZ-UWVGGRQHSA-N 2 0 259.325 -0.028 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)CC1 ZINC001157738713 815460217 /nfs/dbraw/zinc/46/02/17/815460217.db2.gz CFGRGZPGBHIWSC-FZMZJTMJSA-N 2 0 298.362 -0.856 20 0 CBADRP N[C@@]1(C(=O)N2CCC[C@](F)(C[NH3+])CC2)CCC[NH2+]C1 ZINC001157747041 815461713 /nfs/dbraw/zinc/46/17/13/815461713.db2.gz QRWYLVTWXDQGHX-OLZOCXBDSA-N 2 0 272.368 -0.253 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC001157740043 815460311 /nfs/dbraw/zinc/46/03/11/815460311.db2.gz LIETXHFVLOJZPX-PWSUYJOCSA-N 2 0 259.325 -0.346 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@H]2C[NH2+]CCN2)CC1 ZINC001157743893 815461363 /nfs/dbraw/zinc/46/13/63/815461363.db2.gz HZKZQIXYSMHRSE-ZYHUDNBSSA-N 2 0 258.341 -0.773 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157748801 815461403 /nfs/dbraw/zinc/46/14/03/815461403.db2.gz YTYATSXMHPEDPU-DKHZXNSXSA-N 2 0 293.408 -0.238 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)CC1 ZINC001157745235 815461420 /nfs/dbraw/zinc/46/14/20/815461420.db2.gz MWMLRFMPUNPTCK-JFGNBEQYSA-N 2 0 258.341 -0.645 20 0 CBADRP C[NH+](C)CCOCC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001113545464 811647264 /nfs/dbraw/zinc/64/72/64/811647264.db2.gz PWPTTWZOBBGLHL-AWEZNQCLSA-N 2 0 299.415 -0.255 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@](O)(CF)CC1 ZINC001157793351 815466883 /nfs/dbraw/zinc/46/68/83/815466883.db2.gz LBJTVOKANOKMER-NHCYSSNCSA-N 2 0 259.325 -0.754 20 0 CBADRP NC(=O)CC[C@H]([NH3+])CC(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157743940 815461869 /nfs/dbraw/zinc/46/18/69/815461869.db2.gz IWZVNXYJBLSXOQ-GXFFZTMASA-N 2 0 288.367 -0.351 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001157753866 815463226 /nfs/dbraw/zinc/46/32/26/815463226.db2.gz GVLNCOQGCJHBQH-YPMHNXCESA-N 2 0 273.352 -0.268 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C[C@@H]1[NH3+] ZINC001157798895 815468696 /nfs/dbraw/zinc/46/86/96/815468696.db2.gz GLIKDXYBSCTIQR-HMUNZLOLSA-N 2 0 252.362 -0.596 20 0 CBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001157844913 815470385 /nfs/dbraw/zinc/47/03/85/815470385.db2.gz YIVDLYAJVDFKOS-WXHSDQCUSA-N 3 0 268.405 -0.101 20 0 CBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001157844300 815470612 /nfs/dbraw/zinc/47/06/12/815470612.db2.gz VWXOMMRBBJAHRM-CKYFFXLPSA-N 2 0 265.361 -0.135 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH3+])[C@H]1C ZINC001157844248 815470701 /nfs/dbraw/zinc/47/07/01/815470701.db2.gz VKPWWXUZBUHDAB-IEBDPFPHSA-N 2 0 257.334 -0.537 20 0 CBADRP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001157841566 815470717 /nfs/dbraw/zinc/47/07/17/815470717.db2.gz HHUHMNBXWOVGIE-AVGNSLFASA-N 2 0 296.415 -0.088 20 0 CBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001157843795 815470798 /nfs/dbraw/zinc/47/07/98/815470798.db2.gz SWSJSBGTVCSZQC-GABTYQIGSA-N 2 0 275.418 -0.332 20 0 CBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)CN1CC[NH2+]CC1 ZINC001157844761 815470920 /nfs/dbraw/zinc/47/09/20/815470920.db2.gz XMYZSGVMCCPSHE-NEPJUHHUSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)CNC1CC[NH2+]CC1 ZINC001157842421 815471154 /nfs/dbraw/zinc/47/11/54/815471154.db2.gz LHBYEIUXWIDOGR-VXGBXAGGSA-N 2 0 268.405 -0.086 20 0 CBADRP C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)C1CC1 ZINC001114409535 811747603 /nfs/dbraw/zinc/74/76/03/811747603.db2.gz MJIGKASUMOTORT-LOWDOPEQSA-N 2 0 267.373 -0.635 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCCC(=O)[C@H](F)C1 ZINC001157853571 815472423 /nfs/dbraw/zinc/47/24/23/815472423.db2.gz GXPLDFWBEKNKTF-BDAKNGLRSA-N 2 0 277.365 -0.465 20 0 CBADRP [NH3+][C@H](C(=O)N1CCCC(=O)[C@H](F)C1)C1CC[NH2+]CC1 ZINC001157854443 815472922 /nfs/dbraw/zinc/47/29/22/815472922.db2.gz DKRWFHLGSOQBKM-PWSUYJOCSA-N 2 0 271.336 -0.157 20 0 CBADRP O=C(N1CCCC(=O)[C@@H](F)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157854486 815472988 /nfs/dbraw/zinc/47/29/88/815472988.db2.gz FLSNWMXGRGFKBF-UHIISALHSA-N 2 0 283.347 -0.285 20 0 CBADRP O=C(N1CC[C@@H](O)[C@H](F)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157854830 815473584 /nfs/dbraw/zinc/47/35/84/815473584.db2.gz IOQXKRMVWFMJPD-PRULPYPASA-N 2 0 271.336 -0.883 20 0 CBADRP C[C@@H]1CC[C@H](CO)CN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157854468 815473689 /nfs/dbraw/zinc/47/36/89/815473689.db2.gz FCRRPJPBWFXVAD-GRYCIOLGSA-N 2 0 267.373 -0.585 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC001157856952 815474339 /nfs/dbraw/zinc/47/43/39/815474339.db2.gz XUXWNLDWANUTQD-HBNTYKKESA-N 2 0 261.341 -0.236 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001157887182 815476960 /nfs/dbraw/zinc/47/69/60/815476960.db2.gz SCKIZSVLVGQYSA-NEPJUHHUSA-N 2 0 284.404 -0.171 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157900581 815477708 /nfs/dbraw/zinc/47/77/08/815477708.db2.gz MSXCBOCLTWNQCP-IUCAKERBSA-N 2 0 265.304 -0.471 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@](C)(CO)[C@H](O)C1 ZINC001157947622 815491020 /nfs/dbraw/zinc/49/10/20/815491020.db2.gz VVOIDIFDKFRFEI-SCRDCRAPSA-N 2 0 287.404 -0.705 20 0 CBADRP C[C@@]1(CO)CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]1O ZINC001157946483 815491044 /nfs/dbraw/zinc/49/10/44/815491044.db2.gz NNLYVDNRVBIWAI-LOWVWBTDSA-N 2 0 273.377 -0.966 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157970943 815492914 /nfs/dbraw/zinc/49/29/14/815492914.db2.gz UHBSQPBDTQULCO-IHRRRGAJSA-N 2 0 274.368 -0.294 20 0 CBADRP N[C@@]1(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)CC[NH2+]C1 ZINC001157971267 815493477 /nfs/dbraw/zinc/49/34/77/815493477.db2.gz WTKUAZZCZYSRMZ-ZFWWWQNUSA-N 2 0 274.368 -0.150 20 0 CBADRP [NH3+]CCNCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157968506 815493565 /nfs/dbraw/zinc/49/35/65/815493565.db2.gz IDXHOCNDGIOIMP-ZDUSSCGKSA-N 2 0 262.357 -0.292 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157961162 815493668 /nfs/dbraw/zinc/49/36/68/815493668.db2.gz XWCBITPACAJWAU-OLZOCXBDSA-N 2 0 263.341 -0.131 20 0 CBADRP Cc1nc(CCN(C)C(=O)[C@@H]([NH3+])CCC[NH3+])no1 ZINC001157983026 815494013 /nfs/dbraw/zinc/49/40/13/815494013.db2.gz LDRNVWKQIMLVHO-VIFPVBQESA-N 2 0 255.322 -0.555 20 0 CBADRP C[C@]1(CO)CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC[C@@H]1O ZINC001157947128 815490603 /nfs/dbraw/zinc/49/06/03/815490603.db2.gz QRJJHENGMLVWLL-GMXVVIOVSA-N 2 0 273.377 -0.966 20 0 CBADRP Cc1nc(CCN(C)C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)no1 ZINC001157982984 815494722 /nfs/dbraw/zinc/49/47/22/815494722.db2.gz JTAFBJPKXWCWAE-SNVBAGLBSA-N 2 0 279.344 -0.812 20 0 CBADRP CN(C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)[C@H]1CC[C@H](O)CC1 ZINC001157989985 815496018 /nfs/dbraw/zinc/49/60/18/815496018.db2.gz WVGZGDWKTXRJSK-RGCMKSIDSA-N 2 0 281.400 -0.053 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158029235 815499672 /nfs/dbraw/zinc/49/96/72/815499672.db2.gz GTSTXENVLAHXQO-OLZOCXBDSA-N 2 0 296.415 -0.297 20 0 CBADRP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158036861 815500492 /nfs/dbraw/zinc/50/04/92/815500492.db2.gz FQNJDBXYOLAIFT-VXGBXAGGSA-N 2 0 282.388 -0.558 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070170 815500721 /nfs/dbraw/zinc/50/07/21/815500721.db2.gz DHOSVYISPRAYQU-GFCCVEGCSA-N 2 0 293.371 -0.740 20 0 CBADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@]13C[NH2+]C[C@H]1CCN3)CC2 ZINC001158081654 815502645 /nfs/dbraw/zinc/50/26/45/815502645.db2.gz FVDRLTLGLPLKPC-ABAIWWIYSA-N 2 0 278.400 -0.332 20 0 CBADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)CC2 ZINC001158081438 815502740 /nfs/dbraw/zinc/50/27/40/815502740.db2.gz CBWNGBCPLUHGSW-QWRGUYRKSA-N 2 0 253.346 -0.561 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158083212 815503074 /nfs/dbraw/zinc/50/30/74/815503074.db2.gz YTGUIDRKFSCLHQ-NSHDSACASA-N 3 0 254.378 -0.218 20 0 CBADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)CC2 ZINC001158083273 815503136 /nfs/dbraw/zinc/50/31/36/815503136.db2.gz ZYNXPPUYCIOCGT-MNOVXSKESA-N 2 0 253.346 -0.703 20 0 CBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158081411 815503299 /nfs/dbraw/zinc/50/32/99/815503299.db2.gz BHUHYCGFWBBEHL-LLVKDONJSA-N 2 0 297.403 -0.508 20 0 CBADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)CC2 ZINC001158081437 815503439 /nfs/dbraw/zinc/50/34/39/815503439.db2.gz CBWNGBCPLUHGSW-GHMZBOCLSA-N 2 0 253.346 -0.561 20 0 CBADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102358 815503784 /nfs/dbraw/zinc/50/37/84/815503784.db2.gz QFIHCAWBVFFCRN-YGRLFVJLSA-N 2 0 282.388 -0.560 20 0 CBADRP CC[C@H](C)[C@@H]([NH3+])CC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158092744 815503876 /nfs/dbraw/zinc/50/38/76/815503876.db2.gz QKYLYTUYUMCAQX-COPLHBTASA-N 2 0 282.388 -0.560 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]C1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158092179 815504486 /nfs/dbraw/zinc/50/44/86/815504486.db2.gz LTDRAUBCBRCRIH-FZMZJTMJSA-N 2 0 280.372 -0.933 20 0 CBADRP O=C(CC1CC[NH2+]CC1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167916 815508265 /nfs/dbraw/zinc/50/82/65/815508265.db2.gz OUGHUCQOVNAYHO-CHWSQXEVSA-N 2 0 267.373 -0.177 20 0 CBADRP CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750221 812156963 /nfs/dbraw/zinc/15/69/63/812156963.db2.gz CZTJCCYQIWJNOB-JYAVWHMHSA-N 2 0 296.415 -0.537 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158160548 815506793 /nfs/dbraw/zinc/50/67/93/815506793.db2.gz KSBYJQUIQGGKRI-CQSZACIVSA-N 2 0 266.389 -0.364 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158160446 815506831 /nfs/dbraw/zinc/50/68/31/815506831.db2.gz KANFGABHFURCBT-CYBMUJFWSA-N 3 0 254.378 -0.331 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161813 815506869 /nfs/dbraw/zinc/50/68/69/815506869.db2.gz ZSMSJBRGVLDDIN-AAEUAGOBSA-N 2 0 269.345 -0.379 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001114779190 812160311 /nfs/dbraw/zinc/16/03/11/812160311.db2.gz YSCXXTQIICAATM-PJXYFTJBSA-N 2 0 255.362 -0.633 20 0 CBADRP N[C@]1(C(=O)N2CCC[C@]23CCC[NH2+]C3)CCC[NH2+]C1 ZINC001158160270 815506913 /nfs/dbraw/zinc/50/69/13/815506913.db2.gz JUOLHAOFTXYWEY-UONOGXRCSA-N 2 0 266.389 -0.188 20 0 CBADRP O=C(N1CCC[C@]12CCC[NH2+]C2)[C@]12C[NH2+]C[C@H]1COC2 ZINC001158161281 815507491 /nfs/dbraw/zinc/50/74/91/815507491.db2.gz OUVZMDQEVWDUTD-QEJZJMRPSA-N 2 0 279.384 -0.033 20 0 CBADRP O=C(N1CCC[C@]12CCC[NH2+]C2)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001158159487 815507564 /nfs/dbraw/zinc/50/75/64/815507564.db2.gz CJQCAPRFLVGQAG-QEJZJMRPSA-N 2 0 278.400 -0.318 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114991988 812171979 /nfs/dbraw/zinc/17/19/79/812171979.db2.gz MXSHSJFAVULJCH-CZXHOFHRSA-N 2 0 294.399 -0.737 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114996594 812172072 /nfs/dbraw/zinc/17/20/72/812172072.db2.gz AKCJMUJFKRUUJM-NHAGDIPZSA-N 2 0 299.415 -0.617 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)COC)C[C@H]21 ZINC001114998224 812172104 /nfs/dbraw/zinc/17/21/04/812172104.db2.gz PZYQWIHGTPSVEX-RMRHIDDWSA-N 2 0 299.415 -0.618 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158195603 815512009 /nfs/dbraw/zinc/51/20/09/815512009.db2.gz ALKORONOQCNZPV-CYBMUJFWSA-N 2 0 296.415 -0.440 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+]([C@H](C)C(=O)NC)C[C@H]21 ZINC001115081240 812177832 /nfs/dbraw/zinc/17/78/32/812177832.db2.gz NQYDNGUJPARULB-NMKXLXIOSA-N 2 0 296.415 -0.491 20 0 CBADRP O=C([C@H]1CCC2(C[NH2+]C2)O1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199229 815512408 /nfs/dbraw/zinc/51/24/08/815512408.db2.gz QIKFXCXBMLCKIR-HBNTYKKESA-N 2 0 251.330 -0.530 20 0 CBADRP O=C(C1=NO[C@]2(CC[NH2+]C2)C1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199310 815512445 /nfs/dbraw/zinc/51/24/45/815512445.db2.gz SZPYRAVESGAWPN-UFGOTCBOSA-N 2 0 264.329 -0.542 20 0 CBADRP O=C(NCCC[NH2+]CCO)[C@H]1C[NH+]2CCC1CC2 ZINC001158202366 815512492 /nfs/dbraw/zinc/51/24/92/815512492.db2.gz RRPQHJOEQOIFSU-LBPRGKRZSA-N 2 0 255.362 -0.584 20 0 CBADRP O=C([C@H]1CC[C@H]2[NH2+]CC[C@H]2O1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199369 815512574 /nfs/dbraw/zinc/51/25/74/815512574.db2.gz WLRKSMFFJNSFEV-ZOLYEBIHSA-N 2 0 265.357 -0.141 20 0 CBADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199226 815512603 /nfs/dbraw/zinc/51/26/03/815512603.db2.gz QGNLKEHMDQIFBY-YNEHKIRRSA-N 3 0 278.400 -0.177 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCOCCO)C[C@H]21 ZINC001115305031 812190801 /nfs/dbraw/zinc/19/08/01/812190801.db2.gz ZANRATJPKDERDY-NHAGDIPZSA-N 2 0 299.415 -0.618 20 0 CBADRP CN(CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]21)[C@H]1CCC[NH2+]C1 ZINC001158207943 815513864 /nfs/dbraw/zinc/51/38/64/815513864.db2.gz GLLMRDOOVLALHF-RWMBFGLXSA-N 2 0 266.389 -0.367 20 0 CBADRP O=C([C@@H]1CCCC[NH2+]1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168728 815508612 /nfs/dbraw/zinc/50/86/12/815508612.db2.gz YIERXUWDFLCRNC-GRYCIOLGSA-N 2 0 253.346 -0.425 20 0 CBADRP O=C([C@H]1CC[NH2+]C[C@H]1F)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158178719 815509180 /nfs/dbraw/zinc/50/91/80/815509180.db2.gz AUMFVHKMGQMCDX-WRWGMCAJSA-N 2 0 271.336 -0.619 20 0 CBADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170169 815509558 /nfs/dbraw/zinc/50/95/58/815509558.db2.gz WOJDHKWFNLDHAD-LBPRGKRZSA-N 2 0 294.399 -0.939 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158180049 815510484 /nfs/dbraw/zinc/51/04/84/815510484.db2.gz RLSUUHWQNLZANI-FRRDWIJNSA-N 3 0 284.404 -0.720 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)CNC1CC[NH2+]CC1 ZINC001158186909 815510904 /nfs/dbraw/zinc/51/09/04/815510904.db2.gz IMMQMBSFDCIWCF-UHFFFAOYSA-N 3 0 252.362 -0.722 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001158196980 815511230 /nfs/dbraw/zinc/51/12/30/815511230.db2.gz PLXZIRCECHICEE-PWSUYJOCSA-N 2 0 282.388 -0.702 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158192914 815511337 /nfs/dbraw/zinc/51/13/37/815511337.db2.gz HXLFPZQCTNEDRA-SDDRHHMPSA-N 2 0 263.345 -0.747 20 0 CBADRP C[C@H](O)C[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158197539 815511741 /nfs/dbraw/zinc/51/17/41/815511741.db2.gz ZNXVKDMEWFUKEU-AAEUAGOBSA-N 2 0 269.389 -0.195 20 0 CBADRP O=C([C@@H]1C[NH2+]C[C@H]2CCO[C@@H]21)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158215423 815515006 /nfs/dbraw/zinc/51/50/06/815515006.db2.gz MUELONQAPQBYOE-LBELIVKGSA-N 2 0 265.357 -0.426 20 0 CBADRP N[C@@H](C[NH3+])C(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158327455 815520316 /nfs/dbraw/zinc/52/03/16/815520316.db2.gz ILPITCOYAIMQSG-RWMBFGLXSA-N 2 0 260.341 -0.630 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001158328259 815520393 /nfs/dbraw/zinc/52/03/93/815520393.db2.gz XJJHNOHRNSWERW-NAKRPEOUSA-N 2 0 253.321 -0.388 20 0 CBADRP O=C(N1C[C@@H]2CC[NH2+][C@@H]2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158306227 815519177 /nfs/dbraw/zinc/51/91/77/815519177.db2.gz PNZUTEZTGXTQBQ-FMCLSXCISA-N 3 0 264.373 -0.994 20 0 CBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158335607 815520955 /nfs/dbraw/zinc/52/09/55/815520955.db2.gz DAFYRKWXLCRBQG-FAAHXZRKSA-N 2 0 287.363 -0.193 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001158337243 815521643 /nfs/dbraw/zinc/52/16/43/815521643.db2.gz RHFBTWBTRIFQQB-CYUUQNCZSA-N 2 0 286.379 -0.227 20 0 CBADRP CC[C@H](O)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001118179159 812486256 /nfs/dbraw/zinc/48/62/56/812486256.db2.gz LYDQRIGSUGQPSN-QWHCGFSZSA-N 2 0 259.394 -0.655 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001118035058 812463694 /nfs/dbraw/zinc/46/36/94/812463694.db2.gz LGSMBDRYNCYCEB-UTUOFQBUSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC001118035658 812464447 /nfs/dbraw/zinc/46/44/47/812464447.db2.gz TWVHVZZZLREPHI-RYUDHWBXSA-N 2 0 296.415 -0.027 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCn2ccnc2)CC1 ZINC001118087724 812468232 /nfs/dbraw/zinc/46/82/32/812468232.db2.gz DSELLPJZDAYYRL-ZDUSSCGKSA-N 2 0 267.377 -0.919 20 0 CBADRP c1cc(N2CC[N@H+]3CC[C@H]3C2)nnc1N1CC[NH2+]CC1 ZINC001158422660 815527850 /nfs/dbraw/zinc/52/78/50/815527850.db2.gz DFXZFQJQAYZJBR-LBPRGKRZSA-N 2 0 274.372 -0.220 20 0 CBADRP [NH3+][C@H]1CCCCN(CC(=O)N2CCC[C@H]3[NH2+]C[C@H]32)C1=O ZINC001158424902 815527949 /nfs/dbraw/zinc/52/79/49/815527949.db2.gz URTJFFFRFXZFBQ-QJPTWQEYSA-N 2 0 280.372 -0.711 20 0 CBADRP O=C([C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158423117 815527977 /nfs/dbraw/zinc/52/79/77/815527977.db2.gz NGXLHMCLXFFHGQ-IEECTRCBSA-N 2 0 265.357 -0.284 20 0 CBADRP [NH3+]Cc1cnnn1-c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001158423365 815528153 /nfs/dbraw/zinc/52/81/53/815528153.db2.gz QLSKZDVBISQNKU-UHFFFAOYSA-N 2 0 287.327 -0.834 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC[NH2+]1 ZINC001118122419 812473375 /nfs/dbraw/zinc/47/33/75/812473375.db2.gz WDPBUJGTVJPZKD-CHWSQXEVSA-N 2 0 294.399 -0.497 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)NC[C@H]2CCC[NH2+]2)nn1 ZINC001118140892 812477594 /nfs/dbraw/zinc/47/75/94/812477594.db2.gz KIXFAUIQFBEOAE-SNVBAGLBSA-N 2 0 266.349 -0.501 20 0 CBADRP CC[NH2+]CCNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC001118141371 812477696 /nfs/dbraw/zinc/47/76/96/812477696.db2.gz ZJBSIXMZQFRNES-UHFFFAOYSA-N 2 0 280.376 -0.150 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158424677 815528519 /nfs/dbraw/zinc/52/85/19/815528519.db2.gz UBZVJBUSTSUGCT-ZPFDUUQYSA-N 2 0 282.388 -0.561 20 0 CBADRP O=C(N1CCC[C@@H]2[NH2+]C[C@@H]21)[C@]12C[NH2+]C[C@H]1COC2 ZINC001158423428 815528627 /nfs/dbraw/zinc/52/86/27/815528627.db2.gz OMZCXZQPWWVXRO-ZPFDUUQYSA-N 2 0 251.330 -0.815 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158422341 815528657 /nfs/dbraw/zinc/52/86/57/815528657.db2.gz KGNDHURDEJXGAD-WUHRBBMRSA-N 2 0 296.415 -0.173 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001118157290 812482054 /nfs/dbraw/zinc/48/20/54/812482054.db2.gz CHVQZSGLUCBBIG-RKDXNWHRSA-N 2 0 266.349 -0.332 20 0 CBADRP CC[C@H](O)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001118179160 812485778 /nfs/dbraw/zinc/48/57/78/812485778.db2.gz LYDQRIGSUGQPSN-STQMWFEESA-N 2 0 259.394 -0.655 20 0 CBADRP CC[C@@H]([NH3+])C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001118189065 812488530 /nfs/dbraw/zinc/48/85/30/812488530.db2.gz HSTORRHMFZIZJC-GFCCVEGCSA-N 2 0 256.394 -0.133 20 0 CBADRP Cn1cc([C@@H]2CN(CCN3CC[NH2+]CC3)C[C@H]2[NH3+])cn1 ZINC001118198105 812491022 /nfs/dbraw/zinc/49/10/22/812491022.db2.gz GUEYYWDFBAQQRR-UONOGXRCSA-N 2 0 278.404 -0.948 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158428654 815529493 /nfs/dbraw/zinc/52/94/93/815529493.db2.gz MSBIWESMKPAEGN-FRRDWIJNSA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC001118205449 812496863 /nfs/dbraw/zinc/49/68/63/812496863.db2.gz JAUNTDOVMDCLLD-OUAUKWLOSA-N 2 0 268.361 -0.950 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001118229140 812502026 /nfs/dbraw/zinc/50/20/26/812502026.db2.gz XQNLLUYQFHLAEM-WDEREUQCSA-N 2 0 266.349 -0.362 20 0 CBADRP C[C@H](CCCO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001118242152 812504971 /nfs/dbraw/zinc/50/49/71/812504971.db2.gz XFYAUDSTJJHUJF-CHWSQXEVSA-N 2 0 259.394 -0.655 20 0 CBADRP C[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C1CC[NH2+]CC1 ZINC001118242460 812505113 /nfs/dbraw/zinc/50/51/13/812505113.db2.gz ZYAKEHWDRKTTQQ-GFCCVEGCSA-N 3 0 268.405 -0.133 20 0 CBADRP C[C@H](O)C[C@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001118242430 812505353 /nfs/dbraw/zinc/50/53/53/812505353.db2.gz ZDVGOAKNPMCODO-RWMBFGLXSA-N 2 0 259.394 -0.656 20 0 CBADRP C[C@H](O)C[C@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001118242428 812505737 /nfs/dbraw/zinc/50/57/37/812505737.db2.gz ZDVGOAKNPMCODO-AVGNSLFASA-N 2 0 259.394 -0.656 20 0 CBADRP COCCOC[C@@H]1CC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC001118260648 812509974 /nfs/dbraw/zinc/50/99/74/812509974.db2.gz DNEPSUZUPFPBBX-CQSZACIVSA-N 2 0 271.405 -0.124 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC(C)(C)C[NH3+])cn1 ZINC001118265450 812511552 /nfs/dbraw/zinc/51/15/52/812511552.db2.gz ONDPKZGJEIBINZ-UHFFFAOYSA-N 2 0 296.375 -0.763 20 0 CBADRP Cn1ccnc1[C@H]1CNCCN1C(=O)CCC[NH3+] ZINC001118270202 812514238 /nfs/dbraw/zinc/51/42/38/812514238.db2.gz XYKYKLHLNNIPHT-SNVBAGLBSA-N 2 0 251.334 -0.368 20 0 CBADRP C[C@@H](C(=O)NC1(C)CC[NH2+]CC1)N1CCN(C)CC1 ZINC001118269926 812514619 /nfs/dbraw/zinc/51/46/19/812514619.db2.gz QOLNVYMFJIQCCU-LBPRGKRZSA-N 2 0 268.405 -0.119 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[NH2+]1 ZINC001118325195 812529433 /nfs/dbraw/zinc/52/94/33/812529433.db2.gz BOFVQKNPZTVRGT-ZDEQEGDKSA-N 2 0 296.415 -0.301 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC001118337255 812534450 /nfs/dbraw/zinc/53/44/50/812534450.db2.gz KGSFSUVVFXFKJF-WDEREUQCSA-N 2 0 255.362 -0.184 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001118337355 812534583 /nfs/dbraw/zinc/53/45/83/812534583.db2.gz FBIXOPLJXBJCID-IHRRRGAJSA-N 2 0 299.415 -0.033 20 0 CBADRP C[NH+](C)CCc1cn(CCN2CC[NH+](C)CC2)nn1 ZINC001118351790 812536922 /nfs/dbraw/zinc/53/69/22/812536922.db2.gz GORKOTXAWUNFFB-UHFFFAOYSA-N 2 0 266.393 -0.370 20 0 CBADRP C[NH2+][C@H](C)Cc1noc(-c2cn(CC[NH3+])nn2)n1 ZINC001118376475 812539441 /nfs/dbraw/zinc/53/94/41/812539441.db2.gz LGTJFRLIKIXIAA-SSDOTTSWSA-N 2 0 251.294 -0.563 20 0 CBADRP CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001158524259 815536295 /nfs/dbraw/zinc/53/62/95/815536295.db2.gz NMJUTUJKJAKHJV-BREBYQMCSA-N 2 0 269.345 -0.393 20 0 CBADRP CCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158505305 815536437 /nfs/dbraw/zinc/53/64/37/815536437.db2.gz AMCZZLGBXYNGOU-KGLIPLIRSA-N 2 0 299.415 -0.018 20 0 CBADRP CN(CCC[NH3+])C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001118495090 812558459 /nfs/dbraw/zinc/55/84/59/812558459.db2.gz QBOAQAPHMUVJOM-SNVBAGLBSA-N 2 0 266.349 -0.377 20 0 CBADRP CCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158505304 815536711 /nfs/dbraw/zinc/53/67/11/815536711.db2.gz AMCZZLGBXYNGOU-KBPBESRZSA-N 2 0 299.415 -0.018 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC[C@H]1F ZINC001118505593 812562008 /nfs/dbraw/zinc/56/20/08/812562008.db2.gz GRHRIQZUQUENBO-RKDXNWHRSA-N 2 0 267.308 -0.433 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C2([NH3+])CCC2)CC1 ZINC001118506144 812562225 /nfs/dbraw/zinc/56/22/25/812562225.db2.gz LKRNAXBGQPUDJJ-UHFFFAOYSA-N 2 0 296.415 -0.025 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)[C@H](C[NH3+])C(F)(F)F ZINC001118506357 812562458 /nfs/dbraw/zinc/56/24/58/812562458.db2.gz NVABZNKTMVPYBO-MRVPVSSYSA-N 2 0 268.283 -0.760 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)=NO1 ZINC001118506936 812563118 /nfs/dbraw/zinc/56/31/18/812563118.db2.gz SFMIQHGXFRUALZ-MFKMUULPSA-N 2 0 266.345 -0.308 20 0 CBADRP O=C([C@H]1CCCCC[NH2+]1)N1CCOC2(C[NH2+]C2)C1 ZINC001118542464 812570923 /nfs/dbraw/zinc/57/09/23/812570923.db2.gz XJYGFPOVGYQLAJ-LLVKDONJSA-N 2 0 253.346 -0.281 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001118548918 812573370 /nfs/dbraw/zinc/57/33/70/812573370.db2.gz URPAIRUBFHQSBO-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP O=C([C@@H]1CC[NH2+]1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533011 815537601 /nfs/dbraw/zinc/53/76/01/815537601.db2.gz GUONZVAGJMRFFP-HNCHTBHHSA-N 2 0 251.330 -0.672 20 0 CBADRP CN(C(=O)C1=NO[C@H](C[NH3+])C1)C1CCC([NH3+])CC1 ZINC001118568990 812578025 /nfs/dbraw/zinc/57/80/25/812578025.db2.gz MQTUREQPOCLRNN-RTBKNWGFSA-N 2 0 254.334 -0.182 20 0 CBADRP O=C(C[C@H]1CC[NH2+]C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001118569035 812578069 /nfs/dbraw/zinc/57/80/69/812578069.db2.gz OPZRGFOXCSIFLE-CHWSQXEVSA-N 2 0 266.389 -0.508 20 0 CBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]2CF)CC1 ZINC001158569089 815537875 /nfs/dbraw/zinc/53/78/75/815537875.db2.gz VSUOJLNQOJNJCR-GRYCIOLGSA-N 3 0 296.390 -0.669 20 0 CBADRP COCC[NH2+]CCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001118569659 812579347 /nfs/dbraw/zinc/57/93/47/812579347.db2.gz IVTYKZMZNPDKHR-JTQLQIEISA-N 2 0 281.360 -0.548 20 0 CBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@@H]2CF)CC1 ZINC001158568169 815538063 /nfs/dbraw/zinc/53/80/63/815538063.db2.gz MJSVUNKZAWJQTP-LNFKQOIKSA-N 2 0 271.336 -0.755 20 0 CBADRP O=C(N1CCCC2(CC[NH2+]CC2)C1)C1(O)C[NH2+]C1 ZINC001118572842 812580792 /nfs/dbraw/zinc/58/07/92/812580792.db2.gz WQRDOTKGGKXJOO-UHFFFAOYSA-N 2 0 253.346 -0.687 20 0 CBADRP [NH3+]C1([C@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)C[C@H]2CF)CC1 ZINC001158566317 815538152 /nfs/dbraw/zinc/53/81/52/815538152.db2.gz BSOWKIJGDADURX-FPYNETTCSA-N 2 0 296.390 -0.528 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567165 815538701 /nfs/dbraw/zinc/53/87/01/815538701.db2.gz FKTJUIFUYOTHIC-JLLWLGSASA-N 2 0 295.362 -0.185 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158579522 815539189 /nfs/dbraw/zinc/53/91/89/815539189.db2.gz UKOARLPRQFVLGZ-NAKRPEOUSA-N 2 0 270.352 -0.932 20 0 CBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C[C@@H]2CF)CC1 ZINC001158579519 815539434 /nfs/dbraw/zinc/53/94/34/815539434.db2.gz UJXXLDTYINPWRN-PREPNJAASA-N 2 0 267.348 -0.013 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158579599 815539575 /nfs/dbraw/zinc/53/95/75/815539575.db2.gz VPTWHOWDVLJGNX-UTUOFQBUSA-N 3 0 286.395 -0.022 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158579523 815539584 /nfs/dbraw/zinc/53/95/84/815539584.db2.gz UKOARLPRQFVLGZ-RCWTZXSCSA-N 2 0 270.352 -0.932 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)C1 ZINC001158576609 815539892 /nfs/dbraw/zinc/53/98/92/815539892.db2.gz CCPJKOXRIMNRTF-RCWTZXSCSA-N 2 0 270.352 -0.789 20 0 CBADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001158626400 815540504 /nfs/dbraw/zinc/54/05/04/815540504.db2.gz NGHMDJCSIMMXBC-TUAOUCFPSA-N 2 0 282.388 -0.513 20 0 CBADRP C[C@@H]1CN(C)[C@@H](C)CN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001158630723 815540758 /nfs/dbraw/zinc/54/07/58/815540758.db2.gz WTIFMZJRZHAJLE-AXFHLTTASA-N 2 0 274.434 -0.443 20 0 CBADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C[C@H]1COCC[NH2+]1 ZINC001158629453 815540784 /nfs/dbraw/zinc/54/07/84/815540784.db2.gz HETLBRKPFCZGEJ-TUAOUCFPSA-N 2 0 255.362 -0.084 20 0 CBADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC001158629452 815541070 /nfs/dbraw/zinc/54/10/70/815541070.db2.gz HETLBRKPFCZGEJ-QJPTWQEYSA-N 2 0 255.362 -0.084 20 0 CBADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001158626303 815541257 /nfs/dbraw/zinc/54/12/57/815541257.db2.gz JRHYXLRJGKLWSP-QJPTWQEYSA-N 3 0 266.389 -0.654 20 0 CBADRP CO[C@@H]1CN(c2nccc(N3CCC([NH3+])CC3)n2)C[C@@H]1[NH3+] ZINC001158712031 815544553 /nfs/dbraw/zinc/54/45/53/815544553.db2.gz ZMWZOYHXJCADGK-NWDGAFQWSA-N 2 0 292.387 -0.434 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001118868347 812646960 /nfs/dbraw/zinc/64/69/60/812646960.db2.gz WDLCEFBUHUQGRU-QJPTWQEYSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001118868349 812647408 /nfs/dbraw/zinc/64/74/08/812647408.db2.gz WDLCEFBUHUQGRU-SRVKXCTJSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001118871599 812648934 /nfs/dbraw/zinc/64/89/34/812648934.db2.gz MHKDWSNWPTUKCJ-IJLUTSLNSA-N 2 0 282.388 -0.737 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001118920008 812661960 /nfs/dbraw/zinc/66/19/60/812661960.db2.gz SHJCJMGYEIOWRK-LOWDOPEQSA-N 2 0 296.415 -0.158 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001118919984 812662141 /nfs/dbraw/zinc/66/21/41/812662141.db2.gz RLOWBLMTJBYFDE-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CC1(C)C[C@@H](O)C[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001118932919 812668978 /nfs/dbraw/zinc/66/89/78/812668978.db2.gz FKTMYDMYWQHSKN-LLVKDONJSA-N 2 0 255.362 -0.489 20 0 CBADRP [NH3+][C@@H]1CN(c2nc(Cl)nc3c2C[NH2+]CC3)CC12COC2 ZINC001158763456 815545602 /nfs/dbraw/zinc/54/56/02/815545602.db2.gz GNSNWQSYNVKODP-SNVBAGLBSA-N 2 0 295.774 -0.060 20 0 CBADRP [NH3+][C@@H]1CN(c2ccc(N3CC[NH2+]CC3)nn2)CC12COC2 ZINC001158765422 815546340 /nfs/dbraw/zinc/54/63/40/815546340.db2.gz ZCLQZHNBYCZWFU-LLVKDONJSA-N 2 0 290.371 -0.950 20 0 CBADRP O=C(CCC1C[NH2+]C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001119238726 812728881 /nfs/dbraw/zinc/72/88/81/812728881.db2.gz CEEFZOJRGUNUIU-CYBMUJFWSA-N 2 0 266.389 -0.508 20 0 CBADRP C[NH2+]CCOCCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001119242683 812730840 /nfs/dbraw/zinc/73/08/40/812730840.db2.gz FVFSJJWNAOILRA-JTQLQIEISA-N 2 0 281.360 -0.548 20 0 CBADRP [NH3+]C1(CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CCOCC1 ZINC001119243846 812732246 /nfs/dbraw/zinc/73/22/46/812732246.db2.gz ZXPAQZYNRZSHNV-CMPLNLGQSA-N 2 0 253.346 -0.390 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001119296190 812746178 /nfs/dbraw/zinc/74/61/78/812746178.db2.gz NSWLVADLFVHRSO-PHIMTYICSA-N 2 0 263.345 -0.155 20 0 CBADRP CCN(C(=O)C(=O)NC1CC[NH+](C)CC1)[C@H]1CC[NH2+]C1 ZINC001119343830 812761409 /nfs/dbraw/zinc/76/14/09/812761409.db2.gz PUFFBBLVUVTKRC-LBPRGKRZSA-N 2 0 282.388 -0.593 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001119352509 812763816 /nfs/dbraw/zinc/76/38/16/812763816.db2.gz MGRGCEBDCXZTMJ-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001119355740 812764862 /nfs/dbraw/zinc/76/48/62/812764862.db2.gz YKWYEMAUPACODG-AAEUAGOBSA-N 2 0 255.362 -0.048 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001119355743 812765040 /nfs/dbraw/zinc/76/50/40/812765040.db2.gz YKWYEMAUPACODG-YPMHNXCESA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H]([NH3+])C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001119357648 812765193 /nfs/dbraw/zinc/76/51/93/812765193.db2.gz IXEKDPAHOFOIES-MRVPVSSYSA-N 2 0 250.306 -0.828 20 0 CBADRP C[N@@H+]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1(C)C ZINC001119366850 812768484 /nfs/dbraw/zinc/76/84/84/812768484.db2.gz KYKUVZDJTOOSNJ-SECBINFHSA-N 2 0 254.334 -0.357 20 0 CBADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)[C@H]1CC[NH2+]1)C2 ZINC001119373193 812771365 /nfs/dbraw/zinc/77/13/65/812771365.db2.gz LEJWRKRUFGEBKW-SSDOTTSWSA-N 2 0 252.343 -0.152 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC001119415635 812777764 /nfs/dbraw/zinc/77/77/64/812777764.db2.gz WPNIYGBSIMKLRL-VWYCJHECSA-N 2 0 270.377 -0.609 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC001119415632 812778627 /nfs/dbraw/zinc/77/86/27/812778627.db2.gz WPNIYGBSIMKLRL-GMTAPVOTSA-N 2 0 270.377 -0.609 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC001119544445 812804076 /nfs/dbraw/zinc/80/40/76/812804076.db2.gz BGVQXGYNQDBNFH-RYUDHWBXSA-N 2 0 296.415 -0.408 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCN1CC=CC1 ZINC001119597308 812825524 /nfs/dbraw/zinc/82/55/24/812825524.db2.gz CDAHXCJNHMZLJN-AAEUAGOBSA-N 2 0 253.346 -0.571 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCN1CC=CC1 ZINC001119597311 812826425 /nfs/dbraw/zinc/82/64/25/812826425.db2.gz CDAHXCJNHMZLJN-YPMHNXCESA-N 2 0 253.346 -0.571 20 0 CBADRP [NH3+][C@H]1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC001119611079 812832967 /nfs/dbraw/zinc/83/29/67/812832967.db2.gz LRPJKHGVRVWIEH-WDEREUQCSA-N 2 0 250.350 -0.264 20 0 CBADRP Cc1cn2c(nc(CNC(C[NH3+])C[NH3+])cc2=O)s1 ZINC001119618577 812835329 /nfs/dbraw/zinc/83/53/29/812835329.db2.gz OOUDNARGGALBLQ-UHFFFAOYSA-N 2 0 267.358 -0.560 20 0 CBADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)C[C@H](O)C[NH3+])C1 ZINC001159133536 815560616 /nfs/dbraw/zinc/56/06/16/815560616.db2.gz JJJAKSLPUTWJND-NEPJUHHUSA-N 2 0 295.387 -0.887 20 0 CBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)C2([NH3+])CC2)C1 ZINC001159133934 815561135 /nfs/dbraw/zinc/56/11/35/815561135.db2.gz LDELYYGEKRQIPF-NSHDSACASA-N 2 0 277.372 -0.106 20 0 CBADRP [NH3+]C1CCN(c2ccnc(NC[C@@H]3COCC[NH2+]3)n2)CC1 ZINC001159044355 815556692 /nfs/dbraw/zinc/55/66/92/815556692.db2.gz VNUKRLBQIBTMDR-GFCCVEGCSA-N 2 0 292.387 -0.196 20 0 CBADRP C[NH+](C)CCn1nccc1N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC001120091977 812933242 /nfs/dbraw/zinc/93/32/42/812933242.db2.gz UXZCLKSAGLJNEY-SNVBAGLBSA-N 2 0 294.359 -0.569 20 0 CBADRP C([C@@H]1C[C@@H]2COC[C@H]2O1)N1CC[NH2+]CC[NH2+]CC1 ZINC001120266644 812943099 /nfs/dbraw/zinc/94/30/99/812943099.db2.gz VJCYSLMAMXHPQC-FRRDWIJNSA-N 2 0 255.362 -0.715 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001120455957 812969841 /nfs/dbraw/zinc/96/98/41/812969841.db2.gz NWNBAGFFGGLNCS-SBFPOUOMSA-N 2 0 255.362 -0.315 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC1([NH3+])CC1 ZINC001120504213 812977676 /nfs/dbraw/zinc/97/76/76/812977676.db2.gz JBKHXNGLRKWTTJ-LLVKDONJSA-N 2 0 269.393 -0.587 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291609 815567016 /nfs/dbraw/zinc/56/70/16/815567016.db2.gz QXTPGHCYEBFMBN-UHFFFAOYSA-N 2 0 292.427 -0.164 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)NCCN2CC[NH2+]CC2)C1 ZINC001120538189 812985905 /nfs/dbraw/zinc/98/59/05/812985905.db2.gz MIRRDCKZBBVBLL-GFCCVEGCSA-N 2 0 269.393 -0.728 20 0 CBADRP O=C(NCCCCCN1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C1 ZINC001120550770 812989351 /nfs/dbraw/zinc/98/93/51/812989351.db2.gz KYZHLFYBQYIKLD-CYBMUJFWSA-N 2 0 283.420 -0.277 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001120546632 812989410 /nfs/dbraw/zinc/98/94/10/812989410.db2.gz UIKMPMUBYXADEO-RYUDHWBXSA-N 2 0 269.393 -0.682 20 0 CBADRP C[NH+]1CCN(CC[NH2+]C[C@@H](O)CCC2(O)CCC2)CC1 ZINC001120563894 812991369 /nfs/dbraw/zinc/99/13/69/812991369.db2.gz WTWASONIRJQDFA-AWEZNQCLSA-N 2 0 285.432 -0.121 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC001120573657 812994470 /nfs/dbraw/zinc/99/44/70/812994470.db2.gz HBBORCDIQGCFPR-HOTGVXAUSA-N 2 0 298.475 -0.085 20 0 CBADRP C[N@H+](CCNC(=O)N1CCNCC[NH2+]CC1)C1CC1 ZINC001120596218 812997679 /nfs/dbraw/zinc/99/76/79/812997679.db2.gz SAIJWJUSLBQLLW-UHFFFAOYSA-N 2 0 269.393 -0.715 20 0 CBADRP Cc1c(CC[NH3+])c(=O)[nH]n1-c1ncc2c(n1)CC[NH2+]C2 ZINC001159293991 815568767 /nfs/dbraw/zinc/56/87/67/815568767.db2.gz UUMYEPKAGORHAB-UHFFFAOYSA-N 2 0 274.328 -0.177 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001120630367 813002320 /nfs/dbraw/zinc/00/23/20/813002320.db2.gz OZMAYGNNNIDZAC-TUAOUCFPSA-N 2 0 252.362 -0.011 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC001120644610 813004328 /nfs/dbraw/zinc/00/43/28/813004328.db2.gz HSRYMPWNUKJDBE-WRWGMCAJSA-N 2 0 252.362 -0.060 20 0 CBADRP CCO[C@H](CNC(=O)N[C@@H]1CC[NH2+]C1)C[NH+](C)C ZINC001120638662 813005235 /nfs/dbraw/zinc/00/52/35/813005235.db2.gz RSFCJWAKNJUCCH-GHMZBOCLSA-N 2 0 258.366 -0.386 20 0 CBADRP O=C(NC[C@H]1CCCCC[NH2+]1)N1CCNCC[NH2+]CC1 ZINC001120670587 813010154 /nfs/dbraw/zinc/01/01/54/813010154.db2.gz KDFNTLYRJFIFIX-CYBMUJFWSA-N 2 0 283.420 -0.277 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC ZINC001159327723 815569975 /nfs/dbraw/zinc/56/99/75/815569975.db2.gz NDNGTPDYWRMTKF-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001159335071 815570495 /nfs/dbraw/zinc/57/04/95/815570495.db2.gz QOZMMYYZMFHCLN-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CN(CC[NH3+])CCNc1ncnc2c1CC[NH2+]CC2 ZINC001159430338 815572532 /nfs/dbraw/zinc/57/25/32/815572532.db2.gz FLZAVBXRGLOYSE-UHFFFAOYSA-N 2 0 264.377 -0.533 20 0 CBADRP C[C@@H]([NH2+]C1CC2(CC(NC(=O)CC[NH+](C)C)C2)C1)C(N)=O ZINC001121696467 813074919 /nfs/dbraw/zinc/07/49/19/813074919.db2.gz UCKXFLQBVBMWHA-VQZBUAOQSA-N 2 0 296.415 -0.171 20 0 CBADRP [NH3+]CCOCCOCCNc1cc(C2C[NH2+]C2)ncn1 ZINC001159453442 815574437 /nfs/dbraw/zinc/57/44/37/815574437.db2.gz RACWAILCXXFIJC-UHFFFAOYSA-N 2 0 281.360 -0.433 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001121895088 813083446 /nfs/dbraw/zinc/08/34/46/813083446.db2.gz ARGUAYRUSJNWMK-AAEUAGOBSA-N 2 0 266.389 -0.415 20 0 CBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001121895619 813085553 /nfs/dbraw/zinc/08/55/53/813085553.db2.gz DMRFCGVJQXKRJM-YRGRVCCFSA-N 2 0 268.405 -0.136 20 0 CBADRP CC[NH+](CC)CCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001121897116 813085705 /nfs/dbraw/zinc/08/57/05/813085705.db2.gz IPWLEVRIAXCVQT-CYBMUJFWSA-N 2 0 257.378 -0.051 20 0 CBADRP C[NH+](C)CC1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001121908581 813087487 /nfs/dbraw/zinc/08/74/87/813087487.db2.gz AFCLIUOBLPISNY-JSGCOSHPSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001121901998 813088041 /nfs/dbraw/zinc/08/80/41/813088041.db2.gz SRUFYZJYCIYEME-DGCLKSJQSA-N 2 0 255.362 -0.300 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001121908999 813089326 /nfs/dbraw/zinc/08/93/26/813089326.db2.gz HPEZRBLRKOQRAC-GFCCVEGCSA-N 2 0 255.362 -0.313 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1)C(C)C ZINC001121917804 813089935 /nfs/dbraw/zinc/08/99/35/813089935.db2.gz ZBCBYPJOOWFWEK-WCQYABFASA-N 2 0 257.378 -0.054 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C23CC(C2)C[NH2+]3)C1 ZINC001121921749 813090702 /nfs/dbraw/zinc/09/07/02/813090702.db2.gz UVJMCDHWMUHRIZ-AKJDGMEZSA-N 2 0 253.346 -0.425 20 0 CBADRP C[NH2+]C1CC(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC001121928363 813090834 /nfs/dbraw/zinc/09/08/34/813090834.db2.gz NVUBYKXENVMASE-PNESKVBLSA-N 2 0 268.405 -0.264 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001121917315 813090859 /nfs/dbraw/zinc/09/08/59/813090859.db2.gz QYDDWUICTVCPRN-OLZOCXBDSA-N 2 0 268.405 -0.119 20 0 CBADRP [NH3+]CCNCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC001121938709 813093551 /nfs/dbraw/zinc/09/35/51/813093551.db2.gz WNHIYEVMHJYYRX-QWHCGFSZSA-N 2 0 262.357 -0.512 20 0 CBADRP C[C@]1(C(=O)N[C@H](CC[NH3+])C(F)F)C[C@H](O)C[NH2+]1 ZINC001121943189 813094508 /nfs/dbraw/zinc/09/45/08/813094508.db2.gz HLNQNWIUMDUJTH-NYNCVSEMSA-N 2 0 251.277 -0.802 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)CNCC[NH3+])CC[C@H]21 ZINC001121971491 813097724 /nfs/dbraw/zinc/09/77/24/813097724.db2.gz BVXDQFHBAWGIOB-VXGBXAGGSA-N 2 0 254.378 -0.523 20 0 CBADRP CN(C(=O)[C@H]1CCCN(CC[NH3+])C1=O)[C@H](C[NH3+])C1CC1 ZINC001121986508 813100944 /nfs/dbraw/zinc/10/09/44/813100944.db2.gz IPTMVJWQZRFPIF-VXGBXAGGSA-N 2 0 282.388 -0.621 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001121992395 813101184 /nfs/dbraw/zinc/10/11/84/813101184.db2.gz IANYZUYRCLLPFQ-TUAOUCFPSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)[N@H+](C)C1CC1 ZINC001121996106 813102571 /nfs/dbraw/zinc/10/25/71/813102571.db2.gz BIULJRSGDYPGKF-YPMHNXCESA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC001122011166 813103982 /nfs/dbraw/zinc/10/39/82/813103982.db2.gz JNCYVPFWKIMSTR-ZRUFSTJUSA-N 2 0 255.362 -0.330 20 0 CBADRP [NH3+]C1(CNC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)CCC1 ZINC001122011736 813104001 /nfs/dbraw/zinc/10/40/01/813104001.db2.gz UFMRZTNUILRVDQ-ZDUSSCGKSA-N 2 0 266.345 -0.118 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC001122011051 813104357 /nfs/dbraw/zinc/10/43/57/813104357.db2.gz GSCYCFXPNUETGM-YYHQMBLXSA-N 2 0 269.389 -0.211 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC001122011050 813104383 /nfs/dbraw/zinc/10/43/83/813104383.db2.gz GSCYCFXPNUETGM-WJTVCTBASA-N 2 0 269.389 -0.211 20 0 CBADRP C[C@]1(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C[C@@H](O)C[NH2+]1 ZINC001122023266 813106333 /nfs/dbraw/zinc/10/63/33/813106333.db2.gz ZPFAGFCQDNFUSR-BNOWGMLFSA-N 2 0 267.373 -0.299 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NCCC1CC[NH2+]CC1 ZINC001122046304 813109069 /nfs/dbraw/zinc/10/90/69/813109069.db2.gz AXTIGEWSXPJILZ-AWEZNQCLSA-N 2 0 269.389 -0.003 20 0 CBADRP COc1cccc([C@@H]([NH3+])C(=O)NCC2(O)C[NH2+]C2)c1 ZINC001122054873 813109997 /nfs/dbraw/zinc/10/99/97/813109997.db2.gz BOMDEYIIGWMSFZ-LLVKDONJSA-N 2 0 265.313 -0.855 20 0 CBADRP Cc1cc(C[NH3+])oc1C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001122063674 813110371 /nfs/dbraw/zinc/11/03/71/813110371.db2.gz NLPOSYLQQNLOMN-SECBINFHSA-N 2 0 265.313 -0.093 20 0 CBADRP O=C(NCC1(O)C[NH2+]C1)c1cc2c(s1)CC[NH2+]C2 ZINC001122056412 813110464 /nfs/dbraw/zinc/11/04/64/813110464.db2.gz SXZPSWISDJORBW-UHFFFAOYSA-N 2 0 267.354 -0.542 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001122063013 813110767 /nfs/dbraw/zinc/11/07/67/813110767.db2.gz HIXXGSTZIXXQSP-JTQLQIEISA-N 2 0 269.345 -0.998 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001122080167 813114476 /nfs/dbraw/zinc/11/44/76/813114476.db2.gz CIVYUHOYYKECEN-UMSGYPCISA-N 2 0 266.389 -0.239 20 0 CBADRP C[NH2+]CCOc1cccc(C(=O)N(C)C[C@H](O)C[NH2+]C)c1 ZINC001122100162 813116616 /nfs/dbraw/zinc/11/66/16/813116616.db2.gz NBAFGKPNHHSKNQ-CYBMUJFWSA-N 2 0 295.383 -0.063 20 0 CBADRP CC(C)C[C@H]([NH3+])CC(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001122109596 813119179 /nfs/dbraw/zinc/11/91/79/813119179.db2.gz KRWFAOXZSCACKY-GXFFZTMASA-N 2 0 268.361 -0.255 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001122119311 813120411 /nfs/dbraw/zinc/12/04/11/813120411.db2.gz NGNYRGASCANZQV-LSCVPOLPSA-N 2 0 255.362 -0.729 20 0 CBADRP [NH3+][C@H](CO)C(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001122123092 813120581 /nfs/dbraw/zinc/12/05/81/813120581.db2.gz NGDXXXGAQMNJHG-GHMZBOCLSA-N 2 0 255.362 -0.265 20 0 CBADRP [NH3+][C@H](CC(=O)N1CC[NH2+]C[C@@H]1CO)c1ccccc1 ZINC001122124117 813120709 /nfs/dbraw/zinc/12/07/09/813120709.db2.gz GQFFARFUZRLKPZ-CHWSQXEVSA-N 2 0 263.341 -0.131 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001122141434 813122462 /nfs/dbraw/zinc/12/24/62/813122462.db2.gz BWEVSFQIFVTFEM-GMTAPVOTSA-N 2 0 253.346 -0.249 20 0 CBADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCC1(O)C[NH2+]C1 ZINC001122136590 813122593 /nfs/dbraw/zinc/12/25/93/813122593.db2.gz NPXCSXRBTVUIQI-FGWVZKOKSA-N 2 0 253.346 -0.642 20 0 CBADRP [NH3+][C@@H](C(=O)NCC1(O)C[NH2+]C1)C1CCCCCC1 ZINC001122136571 813122981 /nfs/dbraw/zinc/12/29/81/813122981.db2.gz MZIWICCBUAYBFP-LLVKDONJSA-N 2 0 255.362 -0.265 20 0 CBADRP [NH3+]CCOCC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001122144856 813123429 /nfs/dbraw/zinc/12/34/29/813123429.db2.gz DNKJYFCUXZLOAY-LLVKDONJSA-N 2 0 271.361 -0.763 20 0 CBADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C[C@@]1(O)CCC[NH2+]C1)C2 ZINC001122161436 813125736 /nfs/dbraw/zinc/12/57/36/813125736.db2.gz IOQCCOBSKIYWEQ-UBHSHLNASA-N 2 0 267.373 -0.169 20 0 CBADRP CC1(C)CN(C(=O)C[NH+]2CCC(CO)CC2)C[C@@H]1[NH3+] ZINC001122162056 813125771 /nfs/dbraw/zinc/12/57/71/813125771.db2.gz DCPFBENMVWWSMZ-LBPRGKRZSA-N 2 0 269.389 -0.114 20 0 CBADRP C[C@@]1(NC(=O)c2ccn(CCC[NH3+])n2)CC[NH2+]C1 ZINC001122160797 813125791 /nfs/dbraw/zinc/12/57/91/813125791.db2.gz UOWSWRPOHHKYIL-GFCCVEGCSA-N 2 0 251.334 -0.286 20 0 CBADRP C[C@@H]1[NH2+]C[C@H](C)N(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)[C@H]1C ZINC001122182191 813128736 /nfs/dbraw/zinc/12/87/36/813128736.db2.gz UWXAAGDMLMHNTH-CYDGBPFRSA-N 2 0 296.415 -0.219 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001122182064 813128990 /nfs/dbraw/zinc/12/89/90/813128990.db2.gz NLOLTVOQXMFCSI-RWMBFGLXSA-N 2 0 269.389 -0.339 20 0 CBADRP O=C(C[NH2+]CC1CC1)N1NC(=O)CC12CC[NH2+]CC2 ZINC001122183299 813129230 /nfs/dbraw/zinc/12/92/30/813129230.db2.gz VIVZGGMSGOHPPK-UHFFFAOYSA-N 2 0 266.345 -0.628 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]([NH3+])C(C)(C)O)CC[C@@H]21 ZINC001122191459 813130700 /nfs/dbraw/zinc/13/07/00/813130700.db2.gz MMXMFICVKKQGKO-GARJFASQSA-N 2 0 255.362 -0.363 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC001122205644 813132721 /nfs/dbraw/zinc/13/27/21/813132721.db2.gz NXGPDNYKJUYVIS-OUCADQQQSA-N 2 0 267.373 -0.171 20 0 CBADRP CCN1CCO[C@@H](C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC001122205356 813133189 /nfs/dbraw/zinc/13/31/89/813133189.db2.gz GWWRUVIUGOUOPA-NWDGAFQWSA-N 2 0 255.362 -0.096 20 0 CBADRP COC[C@]1(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[NH2+]C1 ZINC001122220373 813135403 /nfs/dbraw/zinc/13/54/03/813135403.db2.gz QTJPSGLVBBXAGO-SCRDCRAPSA-N 2 0 267.373 -0.320 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CCOCC1 ZINC001122226038 813136126 /nfs/dbraw/zinc/13/61/26/813136126.db2.gz FBVUAFMPOLHGCE-GMTAPVOTSA-N 2 0 255.362 -0.146 20 0 CBADRP O=C(C[NH2+]C1CC1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001122235040 813137205 /nfs/dbraw/zinc/13/72/05/813137205.db2.gz XOJUATKJIHANGC-UHFFFAOYSA-N 2 0 253.346 -0.281 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCCN2CCC([NH3+])CC2)C1 ZINC001122238246 813137631 /nfs/dbraw/zinc/13/76/31/813137631.db2.gz BUDKRLUCJMZWQG-GFCCVEGCSA-N 2 0 268.405 -0.133 20 0 CBADRP CN(C(=O)[C@H]1C[C@]12CC[NH2+]C2)C1(C[NH3+])CCOCC1 ZINC001122269274 813138043 /nfs/dbraw/zinc/13/80/43/813138043.db2.gz LIGZIPWZWCRGSK-YPMHNXCESA-N 2 0 267.373 -0.048 20 0 CBADRP COCC[NH2+]CC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001122280104 813139954 /nfs/dbraw/zinc/13/99/54/813139954.db2.gz XNLKJLSSOIGLHO-UHFFFAOYSA-N 2 0 259.350 -0.811 20 0 CBADRP O=C([C@H]1C[C@]12CCC[NH2+]C2)N1CCNCC[NH2+]CC1 ZINC001122287455 813140517 /nfs/dbraw/zinc/14/05/17/813140517.db2.gz BGUWPMSNNDGOIZ-OCCSQVGLSA-N 2 0 266.389 -0.603 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001122289489 813140672 /nfs/dbraw/zinc/14/06/72/813140672.db2.gz ZJRRKTTXYGWSJP-WDEREUQCSA-N 2 0 254.378 -0.619 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001122292718 813141753 /nfs/dbraw/zinc/14/17/53/813141753.db2.gz DXSSWGJNXKIFSM-NQBHXWOUSA-N 2 0 255.362 -0.184 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001122295715 813141791 /nfs/dbraw/zinc/14/17/91/813141791.db2.gz BQLCAYXXOGJKEG-PWSUYJOCSA-N 2 0 269.389 -0.149 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001122292720 813141948 /nfs/dbraw/zinc/14/19/48/813141948.db2.gz DXSSWGJNXKIFSM-WZRBSPASSA-N 2 0 255.362 -0.184 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CC[C@@H]1C[NH3+] ZINC001122295168 813142161 /nfs/dbraw/zinc/14/21/61/813142161.db2.gz FELSNFNQTBJSIR-UTUOFQBUSA-N 2 0 255.362 -0.192 20 0 CBADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001122292716 813142386 /nfs/dbraw/zinc/14/23/86/813142386.db2.gz DXSSWGJNXKIFSM-LOWVWBTDSA-N 2 0 255.362 -0.184 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NC[C@@H]1CCCCC[NH2+]1 ZINC001122306656 813143006 /nfs/dbraw/zinc/14/30/06/813143006.db2.gz KMTLFYXINLLBDH-LBPRGKRZSA-N 2 0 254.378 -0.460 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001122303682 813143090 /nfs/dbraw/zinc/14/30/90/813143090.db2.gz GUZOYPDBMOZMQU-NWDGAFQWSA-N 2 0 256.394 -0.086 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001122302074 813143100 /nfs/dbraw/zinc/14/31/00/813143100.db2.gz FYRWXIVUNOFTSC-DOLQZWNJSA-N 2 0 255.318 -0.724 20 0 CBADRP C[C@@H](Nc1cc(C2C[NH2+]C2)ncn1)[C@@H]1C[NH2+]CCO1 ZINC001159502963 815579799 /nfs/dbraw/zinc/57/97/99/815579799.db2.gz RHFDWHJKSWMSSY-SKDRFNHKSA-N 2 0 263.345 -0.048 20 0 CBADRP [NH3+]Cc1ncc(C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])cn1 ZINC001122318877 813145613 /nfs/dbraw/zinc/14/56/13/813145613.db2.gz AHPAKORXKMRVOA-GXFFZTMASA-N 2 0 261.329 -0.111 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001122319562 813145864 /nfs/dbraw/zinc/14/58/64/813145864.db2.gz KAUULJMKBOOCGK-UHFFFAOYSA-N 2 0 271.361 -0.797 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001122327709 813146318 /nfs/dbraw/zinc/14/63/18/813146318.db2.gz ZTRVBYLFDRARMZ-ZWNOBZJWSA-N 2 0 255.362 -0.171 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC001122330661 813148048 /nfs/dbraw/zinc/14/80/48/813148048.db2.gz GFTLDVBBIBHUNH-MJDLHHQISA-N 2 0 253.346 -0.584 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC001122333278 813148169 /nfs/dbraw/zinc/14/81/69/813148169.db2.gz XRQBKCPJMXJCQG-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1(C[NH3+])CCOCC1 ZINC001122356856 813151826 /nfs/dbraw/zinc/15/18/26/813151826.db2.gz NDOOTQFSOYLHJX-URLYPYJESA-N 2 0 253.346 -0.582 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001122386505 813157340 /nfs/dbraw/zinc/15/73/40/813157340.db2.gz KZSPEMGIPAUJPM-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC001122419311 813162345 /nfs/dbraw/zinc/16/23/45/813162345.db2.gz ONWFUZHJJSPRDP-NWDGAFQWSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@H](NC(=O)[C@H]([NH3+])C1CCC1)[C@@H]1C[N@H+](C)CCN1C ZINC001122447915 813165123 /nfs/dbraw/zinc/16/51/23/813165123.db2.gz HZYPOPWYNFXXEW-WCFLWFBJSA-N 2 0 268.405 -0.136 20 0 CBADRP NS(=O)(=O)c1ccc(N[C@@H]([NH3+])CCC[NH3+])nc1 ZINC001159784563 815594412 /nfs/dbraw/zinc/59/44/12/815594412.db2.gz JIMMQMZGUSXPMH-MRVPVSSYSA-N 2 0 259.335 -0.835 20 0 CBADRP NC(=O)c1cc(Cl)nc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159786380 815594507 /nfs/dbraw/zinc/59/45/07/815594507.db2.gz ZBRBVVZEZGGXGJ-SSDOTTSWSA-N 2 0 258.713 -0.336 20 0 CBADRP C[C@@]1(C(=O)NC2CC3(CC([NH3+])C3)C2)C[C@@H](O)C[NH2+]1 ZINC001122434141 813165593 /nfs/dbraw/zinc/16/55/93/813165593.db2.gz KBXRJEXYMHCDDH-PHGMDTQPSA-N 2 0 253.346 -0.515 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC001122470691 813168573 /nfs/dbraw/zinc/16/85/73/813168573.db2.gz AETWBVHPRNYZTA-JTQLQIEISA-N 2 0 254.334 -0.452 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(N2CC[NH2+]CC2)nn1 ZINC001159779352 815595042 /nfs/dbraw/zinc/59/50/42/815595042.db2.gz FXCKWHHUHCJXQA-JTQLQIEISA-N 3 0 265.365 -0.678 20 0 CBADRP C[C@@H]1C(=O)Nc2ncnc(N[C@@H]([NH3+])CCC[NH3+])c21 ZINC001159784882 815595129 /nfs/dbraw/zinc/59/51/29/815595129.db2.gz LOYSJEVSHTYVLT-NKWVEPMBSA-N 2 0 250.306 -0.032 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2c(n1)OCC(=O)N2 ZINC001159785650 815595132 /nfs/dbraw/zinc/59/51/32/815595132.db2.gz RPUPFXGLWNUYSF-QMMMGPOBSA-N 2 0 251.290 -0.152 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@H]1C[NH2+]CC12CC2 ZINC001122498046 813170873 /nfs/dbraw/zinc/17/08/73/813170873.db2.gz JHSRDUIVWCRYSK-GXFFZTMASA-N 2 0 253.346 -0.641 20 0 CBADRP C[C@H](NC(=O)[C@H]1[NH2+]CC1(C)C)[C@H]1C[N@H+](C)CCN1C ZINC001122540102 813174381 /nfs/dbraw/zinc/17/43/81/813174381.db2.gz AQRVWEKPNBVLCM-QJPTWQEYSA-N 2 0 268.405 -0.265 20 0 CBADRP CCNS(=O)(=O)c1cccnc1N[C@H]([NH3+])CCC[NH3+] ZINC001159786994 815596366 /nfs/dbraw/zinc/59/63/66/815596366.db2.gz PBTFFPVQNWKQNW-JTQLQIEISA-N 2 0 287.389 -0.185 20 0 CBADRP NC(=O)c1cc(N[C@@H]([NH3+])CCC[NH3+])nc(C2CC2)n1 ZINC001159790013 815596546 /nfs/dbraw/zinc/59/65/46/815596546.db2.gz ZSIGQDWFMMLMBQ-SECBINFHSA-N 2 0 264.333 -0.112 20 0 CBADRP CN(C)C(=O)c1cncc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159788525 815596570 /nfs/dbraw/zinc/59/65/70/815596570.db2.gz JXNDOAPKKRAWLB-SECBINFHSA-N 2 0 252.322 -0.386 20 0 CBADRP COC(=O)c1ncnc(N[C@@H]([NH3+])CCC[NH3+])c1OC ZINC001159789771 815596850 /nfs/dbraw/zinc/59/68/50/815596850.db2.gz WXAIGLFLBDTPTJ-SSDOTTSWSA-N 2 0 269.305 -0.293 20 0 CBADRP NC(=O)[C@@H]1CCCN1c1cc(N[C@H]([NH3+])CCC[NH3+])ncn1 ZINC001159790024 815596960 /nfs/dbraw/zinc/59/69/60/815596960.db2.gz ZUZOJCOTCDSDFS-UWVGGRQHSA-N 2 0 293.375 -0.634 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001159838075 815600319 /nfs/dbraw/zinc/60/03/19/815600319.db2.gz IMPMOZGBAUFJOM-LBPRGKRZSA-N 2 0 284.404 -0.455 20 0 CBADRP CN(C)C(=O)[C@@H]1CC12CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2 ZINC001159863322 815601269 /nfs/dbraw/zinc/60/12/69/815601269.db2.gz RPNUIZVCOCXSRZ-RYUDHWBXSA-N 2 0 296.415 -0.231 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001159860693 815601724 /nfs/dbraw/zinc/60/17/24/815601724.db2.gz CCMDAHNCULYDSV-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP CN(C)C(=O)[C@H]1CC12CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2 ZINC001159863323 815601828 /nfs/dbraw/zinc/60/18/28/815601828.db2.gz RPNUIZVCOCXSRZ-VXGBXAGGSA-N 2 0 296.415 -0.231 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC([NH+](C)C)C1 ZINC001123775516 813270738 /nfs/dbraw/zinc/27/07/38/813270738.db2.gz XJKBKEYJXAAYJW-PWSUYJOCSA-N 2 0 252.362 -0.853 20 0 CBADRP C[NH+](C)C[C@]1(O)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001123860986 813280741 /nfs/dbraw/zinc/28/07/41/813280741.db2.gz WGHCPPRLCAGNLY-TZMCWYRMSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC(C[NH+](C)C)C1 ZINC001123893190 813289511 /nfs/dbraw/zinc/28/95/11/813289511.db2.gz JUSDLPGXWGRLJP-YPMHNXCESA-N 2 0 266.389 -0.605 20 0 CBADRP Cn1cncc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124836955 813485390 /nfs/dbraw/zinc/48/53/90/813485390.db2.gz JFIPWBGWHMFIDD-LBPRGKRZSA-N 2 0 265.361 -0.280 20 0 CBADRP CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124835975 813485565 /nfs/dbraw/zinc/48/55/65/813485565.db2.gz DERBFCIOOUSBBW-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001124867067 813490275 /nfs/dbraw/zinc/49/02/75/813490275.db2.gz RFPFOXHLXKEFAL-SNVBAGLBSA-N 2 0 295.343 -0.587 20 0 CBADRP CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124872480 813490926 /nfs/dbraw/zinc/49/09/26/813490926.db2.gz HIOBOGMFYYAAGZ-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)nn1 ZINC001124872427 813491536 /nfs/dbraw/zinc/49/15/36/813491536.db2.gz FTMKWYPFKBUHJM-GFCCVEGCSA-N 2 0 293.371 -0.215 20 0 CBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124873263 813491888 /nfs/dbraw/zinc/49/18/88/813491888.db2.gz UZRLUXTXUKORIE-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124872478 813492702 /nfs/dbraw/zinc/49/27/02/813492702.db2.gz HIOBOGMFYYAAGZ-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124873262 813492826 /nfs/dbraw/zinc/49/28/26/813492826.db2.gz UZRLUXTXUKORIE-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001124878406 813493576 /nfs/dbraw/zinc/49/35/76/813493576.db2.gz LQWRHIVEWMCQAQ-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC(C)(C)C ZINC001124879469 813494069 /nfs/dbraw/zinc/49/40/69/813494069.db2.gz UNTPJYSJPHAUDX-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001124879473 813495444 /nfs/dbraw/zinc/49/54/44/813495444.db2.gz UQCIUTAVCDJXEI-QWHCGFSZSA-N 2 0 296.415 -0.297 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001127065847 813709140 /nfs/dbraw/zinc/70/91/40/813709140.db2.gz FYETYRJCVMRYEL-QWHCGFSZSA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001127065898 813709419 /nfs/dbraw/zinc/70/94/19/813709419.db2.gz GVPJTLNDTBTBRW-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001127066392 813709680 /nfs/dbraw/zinc/70/96/80/813709680.db2.gz NFIHIIDQENQKBX-LBPRGKRZSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001127082240 813711691 /nfs/dbraw/zinc/71/16/91/813711691.db2.gz NAWCDPNLPMCCID-CYBMUJFWSA-N 2 0 294.403 -0.143 20 0 CBADRP O=C(NCC[NH2+]CCOCCO)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256768 813722037 /nfs/dbraw/zinc/72/20/37/813722037.db2.gz RQAGTIAANCGMEU-ZIAGYGMSSA-N 2 0 299.415 -0.425 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127255602 813722540 /nfs/dbraw/zinc/72/25/40/813722540.db2.gz KDJOUYKQWZTEAQ-WDEREUQCSA-N 2 0 268.361 -0.948 20 0 CBADRP O=C(NCC[NH2+][C@H]1CCCNC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127481093 813732972 /nfs/dbraw/zinc/73/29/72/813732972.db2.gz PFGBZORJSQFWQP-STQMWFEESA-N 2 0 294.399 -0.687 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481575 813733765 /nfs/dbraw/zinc/73/37/65/813733765.db2.gz USPYWIVLCRTHMA-ZYHUDNBSSA-N 2 0 282.388 -0.832 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001127643631 813740104 /nfs/dbraw/zinc/74/01/04/813740104.db2.gz DTPTWLNNXBSGPV-MXWKQRLJSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001127659884 813741031 /nfs/dbraw/zinc/74/10/31/813741031.db2.gz OHPXIUGWQQQYHT-DGCLKSJQSA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127690776 813741319 /nfs/dbraw/zinc/74/13/19/813741319.db2.gz SRFCVHBNKVRKCV-VXGBXAGGSA-N 2 0 284.404 -0.443 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001127701288 813741905 /nfs/dbraw/zinc/74/19/05/813741905.db2.gz MVARIUIBPNNNHK-YNEHKIRRSA-N 2 0 296.415 -0.347 20 0 CBADRP COCCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127784810 813749403 /nfs/dbraw/zinc/74/94/03/813749403.db2.gz BNXRUNYJMLILBE-UONOGXRCSA-N 2 0 299.415 -0.018 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CC(=O)NC ZINC001128527608 813779027 /nfs/dbraw/zinc/77/90/27/813779027.db2.gz ATXQWYIQHPFZEO-JTQLQIEISA-N 2 0 276.356 -0.882 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001128533195 813779111 /nfs/dbraw/zinc/77/91/11/813779111.db2.gz IRSBRQWUCBHPLN-QWRGUYRKSA-N 2 0 288.367 -0.739 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001128534677 813780192 /nfs/dbraw/zinc/78/01/92/813780192.db2.gz ZDYSLCZSOQAMFQ-NSHDSACASA-N 2 0 290.383 -0.540 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001128774215 813796631 /nfs/dbraw/zinc/79/66/31/813796631.db2.gz PEKPKWXFNWGHQD-CYBMUJFWSA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001128774127 813797160 /nfs/dbraw/zinc/79/71/60/813797160.db2.gz MJMRKCNCRNARHD-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnnn1C ZINC001128774906 813797409 /nfs/dbraw/zinc/79/74/09/813797409.db2.gz YTWGFIDDMSAZFN-ZDUSSCGKSA-N 2 0 294.403 -0.105 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001128779753 813799290 /nfs/dbraw/zinc/79/92/90/813799290.db2.gz XOUBSLTWFUDZKT-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129219189 813825298 /nfs/dbraw/zinc/82/52/98/813825298.db2.gz AAXWSPHVQNTUNA-NEPJUHHUSA-N 2 0 280.376 -0.409 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C(N)=O ZINC001129329532 813836416 /nfs/dbraw/zinc/83/64/16/813836416.db2.gz YDNFHLSTJVEPSX-OLZOCXBDSA-N 2 0 298.431 -0.066 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129358547 813840239 /nfs/dbraw/zinc/84/02/39/813840239.db2.gz UEDPDBIGQDQQEE-NSHDSACASA-N 2 0 273.377 -0.816 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001129358589 813840905 /nfs/dbraw/zinc/84/09/05/813840905.db2.gz VCIHHXNMVOBSKW-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435097 813843079 /nfs/dbraw/zinc/84/30/79/813843079.db2.gz AQZZRJHVQIDLPP-ZDUSSCGKSA-N 2 0 294.403 -0.156 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C)C(=O)NC1CC1 ZINC001129450383 813845149 /nfs/dbraw/zinc/84/51/49/813845149.db2.gz ZQXNDKIIKNKWMQ-ZWNOBZJWSA-N 2 0 296.415 -0.301 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1=O ZINC001129444096 813845750 /nfs/dbraw/zinc/84/57/50/813845750.db2.gz PWWYXGBZNVGEAH-RYUDHWBXSA-N 2 0 282.388 -0.737 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129437338 813845915 /nfs/dbraw/zinc/84/59/15/813845915.db2.gz ZDSJGVBEPJLGII-ZDUSSCGKSA-N 2 0 287.404 -0.305 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CCN1CCCC1=O)C1CC1 ZINC001129444082 813845980 /nfs/dbraw/zinc/84/59/80/813845980.db2.gz PUOBFVISSGUEMW-CQSZACIVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)C(=O)NC1CC1 ZINC001129450380 813846356 /nfs/dbraw/zinc/84/63/56/813846356.db2.gz ZQXNDKIIKNKWMQ-GWCFXTLKSA-N 2 0 296.415 -0.301 20 0 CBADRP C[N@H+](CC(=O)NCC[NH2+]CC(=O)NCC1CC1)C1CCC1 ZINC001129526335 813847474 /nfs/dbraw/zinc/84/74/74/813847474.db2.gz BPYUORLXGOXRFC-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129531909 813849486 /nfs/dbraw/zinc/84/94/86/813849486.db2.gz LOPKKLRAHAZXRA-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C[N@H+](C)C1CCC1)C(=O)N(C)C ZINC001129532251 813850077 /nfs/dbraw/zinc/85/00/77/813850077.db2.gz WYANEIRKFKUHKN-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129842538 813869880 /nfs/dbraw/zinc/86/98/80/813869880.db2.gz ZNSREHZKIIYGIS-STQMWFEESA-N 2 0 287.404 -0.426 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001129839950 813870323 /nfs/dbraw/zinc/87/03/23/813870323.db2.gz CLEPXVCPQQIMAM-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001129856556 813870380 /nfs/dbraw/zinc/87/03/80/813870380.db2.gz UDNSGHLLWUJKFV-ZDUSSCGKSA-N 2 0 296.415 -0.155 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@H]1CCCNC1=O)[NH+](C)C ZINC001129947175 813883493 /nfs/dbraw/zinc/88/34/93/813883493.db2.gz MUZPQVQXHBMGNC-RYUDHWBXSA-N 2 0 284.404 -0.443 20 0 CBADRP O=C(NCC[NH2+]CCCO)C12CCC[NH+](CCC1)C2 ZINC001130173506 813913892 /nfs/dbraw/zinc/91/38/92/813913892.db2.gz GYWWFQCAIRYIED-UHFFFAOYSA-N 2 0 269.389 -0.049 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130186242 813916676 /nfs/dbraw/zinc/91/66/76/813916676.db2.gz DJXRPEGSSYGOEG-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001130197458 813917053 /nfs/dbraw/zinc/91/70/53/813917053.db2.gz IXKNABBYKUBELC-SNVBAGLBSA-N 2 0 258.366 -0.832 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+][C@@H](CC)C(N)=O)[NH+](C)C ZINC001130205759 813918344 /nfs/dbraw/zinc/91/83/44/813918344.db2.gz VRSKAIZJBUEOTD-VHSXEESVSA-N 2 0 258.366 -0.704 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+][C@@H]1CCCNC1=O)[NH+](C)C ZINC001130203449 813918549 /nfs/dbraw/zinc/91/85/49/813918549.db2.gz MMYUTUMSBAWPEL-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O)[NH+](C)C ZINC001130203172 813918791 /nfs/dbraw/zinc/91/87/91/813918791.db2.gz HRLNXBVEBAQGFK-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C)C(N)=O ZINC001130205758 813918874 /nfs/dbraw/zinc/91/88/74/813918874.db2.gz VRSKAIZJBUEOTD-NXEZZACHSA-N 2 0 258.366 -0.704 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001130296884 813922590 /nfs/dbraw/zinc/92/25/90/813922590.db2.gz DDBDFASEZHBJCL-WDEREUQCSA-N 2 0 268.361 -0.935 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130298175 813923755 /nfs/dbraw/zinc/92/37/55/813923755.db2.gz XSTIFPRIAIYLIN-GFCCVEGCSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130298176 813924096 /nfs/dbraw/zinc/92/40/96/813924096.db2.gz XSTIFPRIAIYLIN-LBPRGKRZSA-N 2 0 284.404 -0.299 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130300870 813924846 /nfs/dbraw/zinc/92/48/46/813924846.db2.gz WRDDODKXIHQEJV-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001130304027 813925315 /nfs/dbraw/zinc/92/53/15/813925315.db2.gz QRQLZCIEMQOFHS-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130300869 813925799 /nfs/dbraw/zinc/92/57/99/813925799.db2.gz WRDDODKXIHQEJV-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP CN(CCC(=O)NCC[NH2+]CCO)c1cc[nH+]cc1 ZINC001130558989 813954321 /nfs/dbraw/zinc/95/43/21/813954321.db2.gz YLSYSCQIMORAOV-UHFFFAOYSA-N 2 0 266.345 -0.394 20 0 CBADRP Cc1c(C(=O)NCC[NH2+]CCO)ccc2c[nH+]cn21 ZINC001130658762 813961082 /nfs/dbraw/zinc/96/10/82/813961082.db2.gz NKIDISWDJKKAFS-UHFFFAOYSA-N 2 0 262.313 -0.046 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130710698 813968120 /nfs/dbraw/zinc/96/81/20/813968120.db2.gz AXQGKTRQOYALAI-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001130810365 813983233 /nfs/dbraw/zinc/98/32/33/813983233.db2.gz SULIFZGFYCKVLA-LLVKDONJSA-N 2 0 282.388 -0.416 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C12CCC[NH+]1CCC2)C(=O)N(C)C ZINC001130810304 813983617 /nfs/dbraw/zinc/98/36/17/813983617.db2.gz QESWBSCLLAVSSZ-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130867729 813987983 /nfs/dbraw/zinc/98/79/83/813987983.db2.gz NVBZISNWGHMZIB-UHFFFAOYSA-N 2 0 261.285 -0.861 20 0 CBADRP O=C(NCC[NH2+]CCCO)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196827 814012368 /nfs/dbraw/zinc/01/23/68/814012368.db2.gz ZRTCFEASHSFXCG-UHFFFAOYSA-N 2 0 289.339 -0.031 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131370461 814024978 /nfs/dbraw/zinc/02/49/78/814024978.db2.gz KTWCMADUMOHQCB-UHFFFAOYSA-N 2 0 289.339 -0.210 20 0 CBADRP CO[C@@H](C)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520234 814038623 /nfs/dbraw/zinc/03/86/23/814038623.db2.gz VOGAGUHAPIEIMD-SDFYHXNISA-N 2 0 297.399 -0.410 20 0 CBADRP CC(C)[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131522099 814038632 /nfs/dbraw/zinc/03/86/32/814038632.db2.gz SEULIIALEQEPML-MBHSVXNSSA-N 2 0 267.373 -0.036 20 0 CBADRP O=C(NCC[NH2+]CC1CC1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519625 814038664 /nfs/dbraw/zinc/03/86/64/814038664.db2.gz HXFPCVSCQAEZKH-OWYJLGKBSA-N 2 0 279.384 -0.035 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@]2(CC[N@H+](CCO)C2)O1 ZINC001131682394 814053976 /nfs/dbraw/zinc/05/39/76/814053976.db2.gz OQKFBVSYQJDSIU-HIFRSBDPSA-N 2 0 299.415 -0.378 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C(N)=O ZINC001131789947 814069547 /nfs/dbraw/zinc/06/95/47/814069547.db2.gz BSRLBCUOKDVESO-CHWSQXEVSA-N 2 0 296.415 -0.170 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790043 814070234 /nfs/dbraw/zinc/07/02/34/814070234.db2.gz DRUZTIDJMVHSRU-GFCCVEGCSA-N 2 0 255.362 -0.441 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131834897 814073544 /nfs/dbraw/zinc/07/35/44/814073544.db2.gz JJUDPOXSQAXLNC-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1)C(N)=O ZINC001131840814 814073629 /nfs/dbraw/zinc/07/36/29/814073629.db2.gz VQWQIYGLPCYARJ-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP C[NH+](C)C1(CC(=O)NCC[NH2+]CCO)CCCC1 ZINC001131845312 814075525 /nfs/dbraw/zinc/07/55/25/814075525.db2.gz WTTJOVCDRIHPMT-UHFFFAOYSA-N 2 0 257.378 -0.051 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283832 814120740 /nfs/dbraw/zinc/12/07/40/814120740.db2.gz KWEOXRIXLMGFQT-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132284103 814122125 /nfs/dbraw/zinc/12/21/25/814122125.db2.gz WDQBYHOTEGSPLY-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]CC(=O)NC)C1 ZINC001132737500 814183069 /nfs/dbraw/zinc/18/30/69/814183069.db2.gz NOPIQFLTLZDSQN-LBPRGKRZSA-N 2 0 284.404 -0.440 20 0 CBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCCO)C1 ZINC001132848395 814194044 /nfs/dbraw/zinc/19/40/44/814194044.db2.gz HHHIHWAFFHVVJM-GFCCVEGCSA-N 2 0 273.377 -0.816 20 0 CBADRP COC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132852119 814194330 /nfs/dbraw/zinc/19/43/30/814194330.db2.gz HZVONGIUVUXJTR-OLZOCXBDSA-N 2 0 287.404 -0.164 20 0 CBADRP CCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132853405 814195914 /nfs/dbraw/zinc/19/59/14/814195914.db2.gz ZYDDXPNRIPOKCA-CYBMUJFWSA-N 2 0 287.404 -0.162 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCC2)CC[N@@H+]1C ZINC001132882090 814197208 /nfs/dbraw/zinc/19/72/08/814197208.db2.gz AAIBRXLDLIFMMW-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886087 814198336 /nfs/dbraw/zinc/19/83/36/814198336.db2.gz BXFJFSMCGJIECE-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP CN(C(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001132992515 814204655 /nfs/dbraw/zinc/20/46/55/814204655.db2.gz ACYIKKZREGSTCB-UHFFFAOYSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)c1occc1C[NH+](C)C)C(N)=O ZINC001132985727 814205538 /nfs/dbraw/zinc/20/55/38/814205538.db2.gz PHIPADGZMQCDPI-LLVKDONJSA-N 2 0 296.371 -0.076 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993496 814207518 /nfs/dbraw/zinc/20/75/18/814207518.db2.gz WXEGUTNTIQSEAT-UHFFFAOYSA-N 2 0 280.376 -0.637 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC(=O)N2CCCC2)CC1 ZINC001132993220 814207764 /nfs/dbraw/zinc/20/77/64/814207764.db2.gz OMICBKICYNEEPA-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133051990 814211738 /nfs/dbraw/zinc/21/17/38/814211738.db2.gz XFFKQURWKCBOGA-GFCCVEGCSA-N 2 0 286.420 -0.051 20 0 CBADRP C[NH+](C)CCCC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001133040556 814212655 /nfs/dbraw/zinc/21/26/55/814212655.db2.gz WOIDRSZJVQVQON-UHFFFAOYSA-N 2 0 270.377 -0.734 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001133282079 814235953 /nfs/dbraw/zinc/23/59/53/814235953.db2.gz ZWVWQIRDSGTYTB-LLVKDONJSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133287692 814236279 /nfs/dbraw/zinc/23/62/79/814236279.db2.gz MMEGHHQMNVCONH-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001133309816 814239720 /nfs/dbraw/zinc/23/97/20/814239720.db2.gz HORWRUYAZNUDQF-QWHCGFSZSA-N 2 0 296.415 -0.358 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001133419279 814251239 /nfs/dbraw/zinc/25/12/39/814251239.db2.gz KZLRIRZFDSZNKF-CMPLNLGQSA-N 2 0 298.387 -0.916 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)[NH+](C)C ZINC001133418949 814251348 /nfs/dbraw/zinc/25/13/48/814251348.db2.gz FTBQRTJZCMUOJP-NXEZZACHSA-N 2 0 258.366 -0.848 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C1CC1)[NH+](C)C ZINC001133415976 814251378 /nfs/dbraw/zinc/25/13/78/814251378.db2.gz XAQSTLXIARDQBI-CQSZACIVSA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O)[NH+](C)C ZINC001133418734 814251713 /nfs/dbraw/zinc/25/17/13/814251713.db2.gz FILVLQCFAYHOTA-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001133415966 814252279 /nfs/dbraw/zinc/25/22/79/814252279.db2.gz WXBPKMBCELYUKV-WDEREUQCSA-N 2 0 270.377 -0.833 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133819778 814300405 /nfs/dbraw/zinc/30/04/05/814300405.db2.gz NWZLNIGMTFRROG-NWDGAFQWSA-N 2 0 273.377 -0.816 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133824002 814302114 /nfs/dbraw/zinc/30/21/14/814302114.db2.gz VPJFKRZUZMOUCZ-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845931 814306521 /nfs/dbraw/zinc/30/65/21/814306521.db2.gz QDSTWSWLVGZJNN-ZDUSSCGKSA-N 2 0 287.404 -0.303 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845955 814309029 /nfs/dbraw/zinc/30/90/29/814309029.db2.gz QMFKTSRWTIYAFE-NWDGAFQWSA-N 2 0 273.377 -0.959 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCn1cccn1 ZINC001133862843 814310764 /nfs/dbraw/zinc/31/07/64/814310764.db2.gz GUTDAQBSZSWGJA-QWHCGFSZSA-N 2 0 279.388 -0.213 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001133853457 814310852 /nfs/dbraw/zinc/31/08/52/814310852.db2.gz KCJWQDLWGKNKFV-LBPRGKRZSA-N 2 0 296.415 -0.440 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133870149 814316525 /nfs/dbraw/zinc/31/65/25/814316525.db2.gz QQJVFFQQVUNCPB-MNOVXSKESA-N 2 0 270.377 -0.974 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133869734 814316883 /nfs/dbraw/zinc/31/68/83/814316883.db2.gz KEXOPWFDJKLNRY-WCQYABFASA-N 2 0 294.403 -0.299 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC2CC2)C1 ZINC001133893292 814319895 /nfs/dbraw/zinc/31/98/95/814319895.db2.gz BCKUXMILFZZYTL-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133893677 814320853 /nfs/dbraw/zinc/32/08/53/814320853.db2.gz LHZOAUDECLRONF-UHFFFAOYSA-N 2 0 294.403 -0.247 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1)[NH+](C)C ZINC001133968240 814330340 /nfs/dbraw/zinc/33/03/40/814330340.db2.gz SLZAXURYEGMLPW-PWSUYJOCSA-N 2 0 284.404 -0.301 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+][C@H]1CCCNC1=O)[NH+](C)C ZINC001133962707 814330753 /nfs/dbraw/zinc/33/07/53/814330753.db2.gz MMYUTUMSBAWPEL-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+][C@H]1CCN(CC)C1=O)[NH+](C)C ZINC001133965812 814331096 /nfs/dbraw/zinc/33/10/96/814331096.db2.gz KQWPKKXJGJPOAX-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)[C@H](CC)[NH+](C)C)C(N)=O ZINC001133966053 814332058 /nfs/dbraw/zinc/33/20/58/814332058.db2.gz VRSKAIZJBUEOTD-UWVGGRQHSA-N 2 0 258.366 -0.704 20 0 CBADRP C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583621 814398021 /nfs/dbraw/zinc/39/80/21/814398021.db2.gz MRAFKHNWHQGKMR-GHMZBOCLSA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001134762558 814411746 /nfs/dbraw/zinc/41/17/46/814411746.db2.gz BUXKPYIBODBRGN-NWDGAFQWSA-N 2 0 284.404 -0.171 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001134780330 814413361 /nfs/dbraw/zinc/41/33/61/814413361.db2.gz AXRHACFIHBULDW-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001134857546 814419881 /nfs/dbraw/zinc/41/98/81/814419881.db2.gz FBUPTQGERZCIHN-RYUDHWBXSA-N 2 0 296.415 -0.027 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135096047 814437033 /nfs/dbraw/zinc/43/70/33/814437033.db2.gz ZIPHLPLUBKMENO-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]CC(N)=O ZINC001159909179 815604936 /nfs/dbraw/zinc/60/49/36/815604936.db2.gz KRNUWRJZHBUICS-GFCCVEGCSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C)C(N)=O ZINC001159925040 815605027 /nfs/dbraw/zinc/60/50/27/815605027.db2.gz NKILWSYQOYLPAR-KOLCDFICSA-N 2 0 270.377 -0.704 20 0 CBADRP Cn1ncnc1C[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997174 815606120 /nfs/dbraw/zinc/60/61/20/815606120.db2.gz ITIDETGXECMRQM-UHFFFAOYSA-N 2 0 294.403 -0.105 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135372860 814470438 /nfs/dbraw/zinc/47/04/38/814470438.db2.gz UAOUYKGOQJTIJP-GHMZBOCLSA-N 2 0 272.393 -0.443 20 0 CBADRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]CC(N)=O ZINC001135371813 814470574 /nfs/dbraw/zinc/47/05/74/814470574.db2.gz JGDFEFSBWVQPSL-ZJUUUORDSA-N 2 0 258.366 -0.704 20 0 CBADRP C[C@@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CC[NH+](C)C ZINC001135370972 814471023 /nfs/dbraw/zinc/47/10/23/814471023.db2.gz BYARFDQAAOBDTM-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@H](O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159932365 815606807 /nfs/dbraw/zinc/60/68/07/815606807.db2.gz PTJJTUYRAVDVMU-JQWIXIFHSA-N 2 0 257.378 -0.197 20 0 CBADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)C(C)C ZINC001135474134 814477189 /nfs/dbraw/zinc/47/71/89/814477189.db2.gz HVJOGMLTSZGLPA-NEPJUHHUSA-N 2 0 286.420 -0.068 20 0 CBADRP C[N@H+](CC(=O)NCCC[NH2+]CCCO)C1CCC1 ZINC001160003529 815607814 /nfs/dbraw/zinc/60/78/14/815607814.db2.gz SWYAYHILQBBNKJ-UHFFFAOYSA-N 2 0 257.378 -0.051 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1cncn1C ZINC001135508501 814479223 /nfs/dbraw/zinc/47/92/23/814479223.db2.gz OWNPQNHGDPDKEN-UHFFFAOYSA-N 2 0 267.377 -0.032 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001135508499 814479758 /nfs/dbraw/zinc/47/97/58/814479758.db2.gz OUGLZNOTWLYZTO-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001135513786 814481457 /nfs/dbraw/zinc/48/14/57/814481457.db2.gz YQHWIKSPVIJJKQ-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156969 815612243 /nfs/dbraw/zinc/61/22/43/815612243.db2.gz RAMYVYABAUORAB-UPJWGTAASA-N 2 0 283.372 -0.982 20 0 CBADRP [NH3+]Cc1nccnc1Nc1ccc(N2CC[NH2+]CC2)nn1 ZINC001160246456 815614298 /nfs/dbraw/zinc/61/42/98/815614298.db2.gz UDCVEVDVHBBZTQ-UHFFFAOYSA-N 2 0 286.343 -0.122 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001135744214 814517619 /nfs/dbraw/zinc/51/76/19/814517619.db2.gz XVNQCIVLWDKIED-WDEREUQCSA-N 2 0 272.393 -0.314 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001135861672 814533628 /nfs/dbraw/zinc/53/36/28/814533628.db2.gz VGSGFVQDDSWIDS-QWRGUYRKSA-N 2 0 272.393 -0.314 20 0 CBADRP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001138461991 814607680 /nfs/dbraw/zinc/60/76/80/814607680.db2.gz MJTAQXFOTPICHJ-UHFFFAOYSA-N 2 0 295.387 -0.125 20 0 CBADRP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001141196514 814648947 /nfs/dbraw/zinc/64/89/47/814648947.db2.gz FZCIHWPEXWHBSR-NMKXLXIOSA-N 2 0 267.373 -0.396 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cn1cncn1 ZINC001142133003 814691700 /nfs/dbraw/zinc/69/17/00/814691700.db2.gz CHANPOPTZUUBBL-UHFFFAOYSA-N 2 0 267.337 -0.658 20 0 CBADRP N=c1ncc(C[NH3+])cn1C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001142637220 814727835 /nfs/dbraw/zinc/72/78/35/814727835.db2.gz BKIXLQAZJHGGKD-NSHDSACASA-N 2 0 261.329 -0.054 20 0 CBADRP C[NH+]1CCN(c2ccc(N[C@H]3C[NH2+]C[C@H]3CO)nn2)CC1 ZINC001159672693 815584768 /nfs/dbraw/zinc/58/47/68/815584768.db2.gz RRBBRFQJNXPSLW-RYUDHWBXSA-N 2 0 292.387 -0.779 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@H]1Nc1nc(Cl)nc2c1C[NH2+]CC2 ZINC001159673392 815586113 /nfs/dbraw/zinc/58/61/13/815586113.db2.gz WOISNXGTLDLTGB-OIBJUYFYSA-N 2 0 283.763 -0.232 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)CN(C)C(N)=[NH2+])CC1 ZINC001144132547 814773331 /nfs/dbraw/zinc/77/33/31/814773331.db2.gz WARQXUPGWWWTFA-UHFFFAOYSA-N 2 0 255.366 -0.246 20 0 CBADRP CN(CC(=O)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C)C(N)=[NH2+] ZINC001144132577 814773355 /nfs/dbraw/zinc/77/33/55/814773355.db2.gz XCLMJFBYDADLMF-NWDGAFQWSA-N 2 0 296.419 -0.952 20 0 CBADRP CN(CC(=O)N(CC[NH3+])c1ccc(F)cc1)C(N)=[NH2+] ZINC001144144159 814773684 /nfs/dbraw/zinc/77/36/84/814773684.db2.gz XXARLFXWJYBUNO-UHFFFAOYSA-N 2 0 267.308 -0.057 20 0 CBADRP CN(CC(=O)N(CC[NH3+])c1cccnc1)C(N)=[NH2+] ZINC001144142758 814773787 /nfs/dbraw/zinc/77/37/87/814773787.db2.gz LLOUKYGTGXATCI-UHFFFAOYSA-N 2 0 250.306 -0.801 20 0 CBADRP CC(C)[NH+]1CCC(C(=O)NCC[NH2+][C@H](C)C(N)=O)CC1 ZINC001146376970 814837839 /nfs/dbraw/zinc/83/78/39/814837839.db2.gz QDONHQQKMOMMCL-LLVKDONJSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](C[C@@H](C)[NH2+]CCO)NC(=O)C[NH+]1CCCC1 ZINC001146408724 814838541 /nfs/dbraw/zinc/83/85/41/814838541.db2.gz ONZHBTCWUYNYON-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146711044 814843496 /nfs/dbraw/zinc/84/34/96/814843496.db2.gz NNDWANQAASALCL-LBPRGKRZSA-N 2 0 286.420 -0.051 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N(C)C ZINC001146704688 814843942 /nfs/dbraw/zinc/84/39/42/814843942.db2.gz GFHUUZYWQGPAHG-UHFFFAOYSA-N 2 0 258.366 -0.878 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CCn1nc(C)nc1C ZINC001146719664 814845483 /nfs/dbraw/zinc/84/54/83/814845483.db2.gz SNMYLCYEXWUZCW-UHFFFAOYSA-N 2 0 296.419 -0.057 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1cnnn1C ZINC001146719944 814845998 /nfs/dbraw/zinc/84/59/98/814845998.db2.gz XSPFHQFXFCRPKG-UHFFFAOYSA-N 2 0 268.365 -0.637 20 0 CBADRP CC[N@H+](C)[C@H](C(=O)NCC[NH2+]CC(N)=O)c1ccccc1 ZINC001147457570 814895817 /nfs/dbraw/zinc/89/58/17/814895817.db2.gz HHUHYDXPDCKASJ-AWEZNQCLSA-N 2 0 292.383 -0.130 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001147877019 814921222 /nfs/dbraw/zinc/92/12/22/814921222.db2.gz CFUIFBIWDYIXPF-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP CO[C@H](C)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147848657 814921365 /nfs/dbraw/zinc/92/13/65/814921365.db2.gz RUVSBRUSTOIHRH-LLVKDONJSA-N 2 0 261.366 -0.695 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147877915 814922710 /nfs/dbraw/zinc/92/27/10/814922710.db2.gz PLTGAYNOAPEBLX-NSHDSACASA-N 2 0 270.377 -0.878 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001147884915 814923028 /nfs/dbraw/zinc/92/30/28/814923028.db2.gz IBLAJVGBBSIKSE-GFCCVEGCSA-N 2 0 296.415 -0.440 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001147893453 814923941 /nfs/dbraw/zinc/92/39/41/814923941.db2.gz QQEJTYQKSJKDFK-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001147892969 814923999 /nfs/dbraw/zinc/92/39/99/814923999.db2.gz MMZJAJAZYMJEGG-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc(C2C[NH2+]C2)ncn1 ZINC001159756801 815592886 /nfs/dbraw/zinc/59/28/86/815592886.db2.gz GYMXSPCHKVOPRT-ZYHUDNBSSA-N 2 0 291.355 -0.274 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc[nH+]c(N)n1 ZINC001159756155 815593161 /nfs/dbraw/zinc/59/31/61/815593161.db2.gz QQSRLJJSIMTYTI-HTQZYQBOSA-N 2 0 251.290 -0.378 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc(C[NH3+])ncn1 ZINC001159750575 815593281 /nfs/dbraw/zinc/59/32/81/815593281.db2.gz NHKGANPYORKZHJ-NXEZZACHSA-N 2 0 265.317 -0.502 20 0 CBADRP Cn1ncnc1C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159915745 815604282 /nfs/dbraw/zinc/60/42/82/815604282.db2.gz MYUOJZYYOIWEDM-CYBMUJFWSA-N 2 0 294.403 -0.249 20 0 CBADRP CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159917462 815604658 /nfs/dbraw/zinc/60/46/58/815604658.db2.gz WWZCCMURPJGWEX-CQSZACIVSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]CC(N)=O ZINC001159909180 815604669 /nfs/dbraw/zinc/60/46/69/815604669.db2.gz KRNUWRJZHBUICS-LBPRGKRZSA-N 2 0 284.404 -0.170 20 0 CBADRP COCCN(C(=O)C[C@H](O)C[NH3+])C1CC[NH+](C)CC1 ZINC001160441039 815622006 /nfs/dbraw/zinc/62/20/06/815622006.db2.gz UDBVBHQDNJSXHE-LBPRGKRZSA-N 2 0 273.377 -0.735 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCNC(=O)[C@H]1C ZINC001160449906 815623816 /nfs/dbraw/zinc/62/38/16/815623816.db2.gz BAFAYEGZVFXDTQ-ZJUUUORDSA-N 2 0 256.350 -0.950 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCNC(=O)[C@H]1C ZINC001160450634 815623940 /nfs/dbraw/zinc/62/39/40/815623940.db2.gz GDMPOLPBBOTGON-NEPJUHHUSA-N 2 0 284.404 -0.171 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001160454332 815624041 /nfs/dbraw/zinc/62/40/41/815624041.db2.gz MNTWOIRZZPXTHB-ZFWWWQNUSA-N 2 0 280.416 -0.262 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001160458764 815625092 /nfs/dbraw/zinc/62/50/92/815625092.db2.gz DCXYSRQCQLOUBE-NSHDSACASA-N 3 0 274.434 -0.536 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001160456268 815625127 /nfs/dbraw/zinc/62/51/27/815625127.db2.gz FJJIVNLUNNVGMO-GXTWGEPZSA-N 2 0 266.389 -0.604 20 0 CBADRP CC[NH+](CC)C1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2N)CC1 ZINC001160482210 815627798 /nfs/dbraw/zinc/62/77/98/815627798.db2.gz AWSDZIJUZSJAPG-STQMWFEESA-N 2 0 268.405 -0.134 20 0 CBADRP CN(C)C(=O)CN(C)C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160503986 815630932 /nfs/dbraw/zinc/63/09/32/815630932.db2.gz JJQFILKOVWTTST-LLVKDONJSA-N 2 0 282.388 -0.593 20 0 CBADRP CN(C)C(=O)CN(C)C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001160503660 815631212 /nfs/dbraw/zinc/63/12/12/815631212.db2.gz BEGIRUGPSXYGJQ-JTQLQIEISA-N 2 0 258.366 -0.621 20 0 CBADRP [NH3+]C1CCN(C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)CC1 ZINC001160510903 815631637 /nfs/dbraw/zinc/63/16/37/815631637.db2.gz FTLBKRCTJOJAFJ-NSHDSACASA-N 2 0 280.372 -0.948 20 0 CBADRP [NH3+]C1CCN(C(=O)C2=NO[C@]3(CC[NH2+]C3)C2)CC1 ZINC001160511724 815631722 /nfs/dbraw/zinc/63/17/22/815631722.db2.gz SMQSAYIQPFZSKW-GFCCVEGCSA-N 2 0 252.318 -0.556 20 0 CBADRP [NH3+]Cc1cc(N[C@@]2(C[NH3+])CN3CCC2CC3)ncn1 ZINC001160510374 815631745 /nfs/dbraw/zinc/63/17/45/815631745.db2.gz HTHUBYVJAVQQEM-ZDUSSCGKSA-N 2 0 262.361 -0.230 20 0 CBADRP [NH3+]C1CCN(C(=O)C[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)CC1 ZINC001160511923 815632378 /nfs/dbraw/zinc/63/23/78/815632378.db2.gz ZEZYUQVRAKEEJF-RTXFEEFZSA-N 2 0 267.373 -0.049 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@]2(N)CC[NH2+]C2)CC1 ZINC001160537152 815633907 /nfs/dbraw/zinc/63/39/07/815633907.db2.gz GREHFUOJFXDNBE-ZDUSSCGKSA-N 2 0 254.378 -0.380 20 0 CBADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)C[C@@H](O)C[NH3+] ZINC001160539176 815634150 /nfs/dbraw/zinc/63/41/50/815634150.db2.gz NQBLTRQULNZAOO-RKDXNWHRSA-N 2 0 265.317 -0.863 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001160538406 815634709 /nfs/dbraw/zinc/63/47/09/815634709.db2.gz XHYBVQSADIVGEB-RYUDHWBXSA-N 2 0 255.362 -0.491 20 0 CBADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001160541602 815635469 /nfs/dbraw/zinc/63/54/69/815635469.db2.gz DKVXQVIHFRXKAQ-MIMYLULJSA-N 2 0 277.328 -0.850 20 0 CBADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001160539632 815636189 /nfs/dbraw/zinc/63/61/89/815636189.db2.gz YYAUCSLOBARSIO-QMTHXVAHSA-N 2 0 290.371 -0.492 20 0 CBADRP CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001160578400 815641318 /nfs/dbraw/zinc/64/13/18/815641318.db2.gz YOKLNFLWRBWXDI-MNOVXSKESA-N 2 0 255.362 -0.491 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCN(CCF)CC1)C1CC[NH2+]CC1 ZINC001160628804 815645045 /nfs/dbraw/zinc/64/50/45/815645045.db2.gz FPQVDHAWWFAHRG-GFCCVEGCSA-N 2 0 272.368 -0.573 20 0 CBADRP COC(=O)[C@@]1(C)CCCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001160635874 815646675 /nfs/dbraw/zinc/64/66/75/815646675.db2.gz MKIOGVQAKZDMDM-GWCFXTLKSA-N 2 0 271.361 -0.146 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CNCC[NH3+] ZINC001160630625 815646691 /nfs/dbraw/zinc/64/66/91/815646691.db2.gz ZZXNBIXGHXLFRG-UHFFFAOYSA-N 3 0 287.452 -0.733 20 0 CBADRP C[NH+](C)C1(C)CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001160644509 815650136 /nfs/dbraw/zinc/65/01/36/815650136.db2.gz FETBGTNDRLYDFL-GXFFZTMASA-N 2 0 252.362 -0.900 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)CCO1 ZINC001160644113 815650440 /nfs/dbraw/zinc/65/04/40/815650440.db2.gz SPBJUTRQFJFBLT-RDBSUJKOSA-N 2 0 296.415 -0.754 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C[C@@H]1F ZINC001160649744 815651353 /nfs/dbraw/zinc/65/13/53/815651353.db2.gz MFOCZGFWPNVWSG-LSCVPOLPSA-N 3 0 270.352 -0.917 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160649344 815652074 /nfs/dbraw/zinc/65/20/74/815652074.db2.gz IXVPCVXWVJJKHX-GUDRVLHUSA-N 2 0 288.367 -0.626 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1)C1CCCCC1 ZINC001160652532 815652877 /nfs/dbraw/zinc/65/28/77/815652877.db2.gz FTDMGTWAACABSR-UTUOFQBUSA-N 2 0 255.362 -0.186 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC(=O)C(F)(F)C1 ZINC001160662805 815654586 /nfs/dbraw/zinc/65/45/86/815654586.db2.gz DVNHKSDHMLHYOV-ZETCQYMHSA-N 2 0 281.328 -0.558 20 0 CBADRP CC(C)[C@@H]1COCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160670311 815655611 /nfs/dbraw/zinc/65/56/11/815655611.db2.gz WTWVYXSUPBKKQD-KBPBESRZSA-N 2 0 298.431 -0.380 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC001160670381 815655691 /nfs/dbraw/zinc/65/56/91/815655691.db2.gz YMHBIQNZQGTXJM-CHWSQXEVSA-N 2 0 297.399 -0.578 20 0 CBADRP CN(Cc1ccon1)C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001160688539 815657085 /nfs/dbraw/zinc/65/70/85/815657085.db2.gz QFQVNEBMTKPWPW-NSHDSACASA-N 2 0 252.318 -0.040 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001160689605 815657114 /nfs/dbraw/zinc/65/71/14/815657114.db2.gz ZLTGKMUGJUTHPY-CYBMUJFWSA-N 2 0 254.378 -0.379 20 0 CBADRP CN(Cc1ccon1)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160688548 815657285 /nfs/dbraw/zinc/65/72/85/815657285.db2.gz QGGWNLFRDOCRGE-JTQLQIEISA-N 2 0 250.302 -0.558 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001160687332 815657688 /nfs/dbraw/zinc/65/76/88/815657688.db2.gz BZQCZZCSCSKJCD-LBPRGKRZSA-N 2 0 282.388 -0.510 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001160695791 815658543 /nfs/dbraw/zinc/65/85/43/815658543.db2.gz QAPTWVIVCSMXLV-MROQNXINSA-N 2 0 266.389 -0.606 20 0 CBADRP CCN(CCn1cccn1)C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001160694284 815658669 /nfs/dbraw/zinc/65/86/69/815658669.db2.gz UJNSLQQGEVHBRZ-LLVKDONJSA-N 2 0 253.350 -0.202 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001160695649 815659186 /nfs/dbraw/zinc/65/91/86/815659186.db2.gz NYPKHXPUUVMDOR-DYEKYZERSA-N 2 0 266.389 -0.604 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCO[C@@H](C(F)(F)F)C1 ZINC001160705274 815661622 /nfs/dbraw/zinc/66/16/22/815661622.db2.gz MBYRZHXLQDULGD-DTWKUNHWSA-N 2 0 293.289 -0.415 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCO[C@H](C(F)(F)F)C1 ZINC001160705275 815662436 /nfs/dbraw/zinc/66/24/36/815662436.db2.gz MBYRZHXLQDULGD-IUCAKERBSA-N 2 0 293.289 -0.415 20 0 CBADRP CCOC(=O)[C@]12CN(C(=O)[C@H](C)[NH2+]C)C[C@H]1C[NH2+]CC2 ZINC001160811638 815673242 /nfs/dbraw/zinc/67/32/42/815673242.db2.gz RDQGLYKIUPMHRZ-MISXGVKJSA-N 2 0 283.372 -0.405 20 0 CBADRP Nc1cccnc1N1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001160825980 815674385 /nfs/dbraw/zinc/67/43/85/815674385.db2.gz OSBYKXQSCNVRKB-GFCCVEGCSA-N 2 0 292.387 -0.621 20 0 CBADRP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]([NH3+])CCC[NH3+])C2 ZINC001160819725 815674569 /nfs/dbraw/zinc/67/45/69/815674569.db2.gz LJFZRIBOAUMZHY-USZNOCQGSA-N 2 0 283.372 -0.147 20 0 CBADRP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]([NH3+])CCC[NH3+])C2 ZINC001160819726 815674930 /nfs/dbraw/zinc/67/49/30/815674930.db2.gz LJFZRIBOAUMZHY-WHOHXGKFSA-N 2 0 283.372 -0.147 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1C(=O)C1CC2(C[NH2+]C2)C1 ZINC001160840029 815676429 /nfs/dbraw/zinc/67/64/29/815676429.db2.gz UFXVWMRDATYKLY-LBPRGKRZSA-N 2 0 267.373 -0.225 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCn2nncc2C1 ZINC001160833305 815676607 /nfs/dbraw/zinc/67/66/07/815676607.db2.gz QAGKVRMORPFLAZ-JTQLQIEISA-N 2 0 252.322 -0.923 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001160840653 815678063 /nfs/dbraw/zinc/67/80/63/815678063.db2.gz YYWGCAPICFUDFG-RYUDHWBXSA-N 2 0 281.360 -0.932 20 0 CBADRP COC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001160857998 815680120 /nfs/dbraw/zinc/68/01/20/815680120.db2.gz VQUHVOXAXYRWJJ-YNEHKIRRSA-N 2 0 287.404 -0.164 20 0 CBADRP CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C[C@@H]21 ZINC001160877943 815683912 /nfs/dbraw/zinc/68/39/12/815683912.db2.gz HFTDDPOHZUQCHT-KXNHARMFSA-N 2 0 293.367 -0.937 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001160883687 815685849 /nfs/dbraw/zinc/68/58/49/815685849.db2.gz TWKHBVDJPMYTHW-GFCCVEGCSA-N 2 0 282.392 -0.249 20 0 CBADRP C[C@H]1CN(C)C(=O)CN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001160941569 815689922 /nfs/dbraw/zinc/68/99/22/815689922.db2.gz MWQJDHBALCDSFL-CABZTGNLSA-N 2 0 268.361 -0.998 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160972658 815692500 /nfs/dbraw/zinc/69/25/00/815692500.db2.gz RNIDGHYCKONSCZ-MPSDLYAZSA-N 2 0 283.344 -0.723 20 0 CBADRP C[NH+]1CCC2(CCN(C(=O)[C@H]3C[NH2+]C[C@H]3O)CC2)CC1 ZINC001160993440 815692778 /nfs/dbraw/zinc/69/27/78/815692778.db2.gz QZHIMSUQSHBJIQ-QWHCGFSZSA-N 2 0 281.400 -0.099 20 0 CBADRP C[NH+]1CCC2(CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3O)CC2)CC1 ZINC001160993441 815693238 /nfs/dbraw/zinc/69/32/38/815693238.db2.gz QZHIMSUQSHBJIQ-STQMWFEESA-N 2 0 281.400 -0.099 20 0 CBADRP [NH3+][C@H](C(=O)N1C[C@H]([NH3+])CC(F)(F)C1)C1CC[NH2+]CC1 ZINC001160970683 815693409 /nfs/dbraw/zinc/69/34/09/815693409.db2.gz AFZVHMGQCJZTPC-ZJUUUORDSA-N 3 0 276.331 -0.492 20 0 CBADRP O=C([C@@H]1CCCC[NH2+]1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999302 815693578 /nfs/dbraw/zinc/69/35/78/815693578.db2.gz ATKIVEAVWFZYRI-RYUDHWBXSA-N 2 0 267.373 -0.156 20 0 CBADRP C[C@]1(C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)CC[NH2+]C1 ZINC001161008050 815694583 /nfs/dbraw/zinc/69/45/83/815694583.db2.gz NKGIZNGBOIIPCO-AAEUAGOBSA-N 2 0 267.373 -0.299 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]Cc3ccnn3C2)CC[NH2+]1 ZINC001161014762 815694627 /nfs/dbraw/zinc/69/46/27/815694627.db2.gz NHGJCPOBUWMFCN-GHMZBOCLSA-N 2 0 263.345 -0.577 20 0 CBADRP CC1(C)[NH2+][C@H](C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)CO1 ZINC001161009547 815694848 /nfs/dbraw/zinc/69/48/48/815694848.db2.gz WSICQUMPUIZPEU-WDEREUQCSA-N 2 0 283.372 -0.574 20 0 CBADRP CC(C)[NH2+]CC(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000437 815694990 /nfs/dbraw/zinc/69/49/90/815694990.db2.gz SSDDMJZTYFNHPQ-NSHDSACASA-N 2 0 255.362 -0.300 20 0 CBADRP O=C([C@@H]1CC2(CC2)C[NH2+]1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161006422 815695074 /nfs/dbraw/zinc/69/50/74/815695074.db2.gz CZLXTIDVRGLMOZ-NWDGAFQWSA-N 2 0 279.384 -0.156 20 0 CBADRP C[NH2+][C@@H]1CCCN(CC(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC001161016958 815696004 /nfs/dbraw/zinc/69/60/04/815696004.db2.gz CVIPZIKLDFEUEW-VXGBXAGGSA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CC[NH2+]1 ZINC001161016325 815696266 /nfs/dbraw/zinc/69/62/66/815696266.db2.gz WYUOBSXDXNNSDX-HZSPNIEDSA-N 2 0 280.416 -0.119 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+][C@H](C)C1 ZINC001161015416 815696493 /nfs/dbraw/zinc/69/64/93/815696493.db2.gz ARLUAZQADXPEBS-MNOVXSKESA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]3CCO[C@H]32)CC[NH2+]1 ZINC001161020625 815697527 /nfs/dbraw/zinc/69/75/27/815697527.db2.gz UIQLPTKTFALJRR-DDHJBXDOSA-N 2 0 253.346 -0.569 20 0 CBADRP NC(=S)C1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001161031684 815699538 /nfs/dbraw/zinc/69/95/38/815699538.db2.gz JFUUNYARCQZBNQ-VIFPVBQESA-N 2 0 290.458 -0.470 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161032021 815700960 /nfs/dbraw/zinc/70/09/60/815700960.db2.gz AOGUTTAIDFXHGS-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CC(=O)[C@H]1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161034907 815701169 /nfs/dbraw/zinc/70/11/69/815701169.db2.gz OYKFNOZSOPXCDW-WDEREUQCSA-N 2 0 251.330 -0.767 20 0 CBADRP NC(=O)[C@@H]1CCCN1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001161034582 815701575 /nfs/dbraw/zinc/70/15/75/815701575.db2.gz LTOPLHQALUIMGN-UWVGGRQHSA-N 2 0 256.350 -0.691 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001161041075 815702931 /nfs/dbraw/zinc/70/29/31/815702931.db2.gz FJDKEZZDDGYIOU-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001161049226 815703169 /nfs/dbraw/zinc/70/31/69/815703169.db2.gz DHCIQKOMOFOTPQ-NEPJUHHUSA-N 3 0 256.394 -0.006 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001161041500 815704376 /nfs/dbraw/zinc/70/43/76/815704376.db2.gz JRZLYSIVALJGES-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161058170 815704778 /nfs/dbraw/zinc/70/47/78/815704778.db2.gz PAFNLCLFOFLEMV-HBNTYKKESA-N 2 0 285.392 -0.510 20 0 CBADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001161050836 815704789 /nfs/dbraw/zinc/70/47/89/815704789.db2.gz PZEQZPICWXXWBQ-OLZOCXBDSA-N 2 0 296.415 -0.123 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001161053720 815704981 /nfs/dbraw/zinc/70/49/81/815704981.db2.gz XXUJKPVNSXVSDA-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N(C)[C@H]1CCCC[C@H]1[NH3+] ZINC001161062521 815705412 /nfs/dbraw/zinc/70/54/12/815705412.db2.gz KSOUIQBLYCLBSN-QNWHQSFQSA-N 2 0 283.372 -0.134 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001161053715 815705492 /nfs/dbraw/zinc/70/54/92/815705492.db2.gz XXUJKPVNSXVSDA-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCn1cncn1 ZINC001161052433 815705634 /nfs/dbraw/zinc/70/56/34/815705634.db2.gz KKHBLKFSICACNW-ZDUSSCGKSA-N 2 0 294.403 -0.142 20 0 CBADRP CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161058169 815705653 /nfs/dbraw/zinc/70/56/53/815705653.db2.gz PAFNLCLFOFLEMV-GMTAPVOTSA-N 2 0 285.392 -0.510 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])[C@H]1CCCC[C@@H]1[NH3+] ZINC001161062505 815705814 /nfs/dbraw/zinc/70/58/14/815705814.db2.gz KPOUEDIPFZIMDJ-DCAQKATOSA-N 3 0 274.434 -0.266 20 0 CBADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2N)C1 ZINC001161051398 815705898 /nfs/dbraw/zinc/70/58/98/815705898.db2.gz VAMGEVYTPADCQF-WOPDTQHZSA-N 2 0 254.378 -0.526 20 0 CBADRP CN(C(=O)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161057838 815706258 /nfs/dbraw/zinc/70/62/58/815706258.db2.gz HQUHWJPCRQMXRO-QNWJLWSRSA-N 2 0 267.373 -0.051 20 0 CBADRP CN(C(=O)[C@@]12C[NH2+]C[C@H]1CCN2)C1(C)CC[NH2+]CC1 ZINC001161067738 815707067 /nfs/dbraw/zinc/70/70/67/815707067.db2.gz KXFYDMZYVBJAAN-BXUZGUMPSA-N 2 0 266.389 -0.462 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])Cc1cncn1C)C1(C)CC[NH2+]CC1 ZINC001161067122 815707160 /nfs/dbraw/zinc/70/71/60/815707160.db2.gz FJJMYNPOUNJABS-LBPRGKRZSA-N 2 0 279.388 -0.110 20 0 CBADRP CN(C(=O)[C@]12C[NH2+]C[C@H]1CCN2)C1(C)CC[NH2+]CC1 ZINC001161067744 815707593 /nfs/dbraw/zinc/70/75/93/815707593.db2.gz KXFYDMZYVBJAAN-RISCZKNCSA-N 2 0 266.389 -0.462 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)CNC3CC[NH2+]CC3)C[C@H]21 ZINC001161081243 815709035 /nfs/dbraw/zinc/70/90/35/815709035.db2.gz HYRSRIUNPUSBMU-TZMCWYRMSA-N 2 0 280.416 -0.119 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@@H]21 ZINC001161081144 815709230 /nfs/dbraw/zinc/70/92/30/815709230.db2.gz FWIPDHPDIRJVLP-OLZOCXBDSA-N 2 0 266.389 -0.556 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]21 ZINC001161081682 815709534 /nfs/dbraw/zinc/70/95/34/815709534.db2.gz LRLNPTDFAHBQJE-FRRDWIJNSA-N 3 0 278.400 -0.652 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]21 ZINC001161081685 815709635 /nfs/dbraw/zinc/70/96/35/815709635.db2.gz LRLNPTDFAHBQJE-JHJVBQTASA-N 3 0 278.400 -0.652 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)C[C@@H]21 ZINC001161081086 815709705 /nfs/dbraw/zinc/70/97/05/815709705.db2.gz DOKHGLARICGYSR-USZNOCQGSA-N 2 0 252.362 -0.772 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161083752 815711451 /nfs/dbraw/zinc/71/14/51/815711451.db2.gz BPJLHGBZSGJWTE-GUBZILKMSA-N 2 0 255.318 -0.641 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C[C@H]3COCC[NH2+]3)C[C@H]21 ZINC001161084041 815711641 /nfs/dbraw/zinc/71/16/41/815711641.db2.gz WLAVQRUZFRWCOF-FRRDWIJNSA-N 2 0 267.373 -0.083 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCN3)C[C@@H]21 ZINC001161082919 815711673 /nfs/dbraw/zinc/71/16/73/815711673.db2.gz QPUSVXYMHWUMBZ-WOPDTQHZSA-N 2 0 252.362 -0.900 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001161084014 815711942 /nfs/dbraw/zinc/71/19/42/815711942.db2.gz VYGYDYSEVUABPP-XBFCOCLRSA-N 2 0 291.399 -0.158 20 0 CBADRP Cc1c[nH+]c(NCCN(CC[NH3+])N(O)N=O)cc1N ZINC001161096086 815713995 /nfs/dbraw/zinc/71/39/95/815713995.db2.gz XMJIAZVVCPTIMJ-UHFFFAOYSA-N 2 0 269.309 -0.068 20 0 CBADRP CC(=O)N1CCC[C@H](N(C)C(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001161131083 815719105 /nfs/dbraw/zinc/71/91/05/815719105.db2.gz NQEXJPQYALGXKC-NWDGAFQWSA-N 2 0 270.377 -0.478 20 0 CBADRP CO[C@@H](C)C1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001161145459 815721907 /nfs/dbraw/zinc/72/19/07/815721907.db2.gz DPRSEKYXTKGUJX-WPRPVWTQSA-N 2 0 261.391 -0.501 20 0 CBADRP CO[C@H](C)C1CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161145736 815722420 /nfs/dbraw/zinc/72/24/20/815722420.db2.gz HUKPGJQDWLXEDZ-SKDRFNHKSA-N 2 0 255.362 -0.193 20 0 CBADRP CN(CC[N@H+](C)Cc1ccccc1)C(=O)[C@@H](N)C[NH3+] ZINC001161161054 815723654 /nfs/dbraw/zinc/72/36/54/815723654.db2.gz LJVOISINDWGFPJ-ZDUSSCGKSA-N 2 0 264.373 -0.137 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C(=O)C1CC2(C[NH2+]C2)C1 ZINC001161158048 815723679 /nfs/dbraw/zinc/72/36/79/815723679.db2.gz OKEQYEJWRIUSBF-UHFFFAOYSA-N 2 0 283.372 -0.274 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]2C1 ZINC001161175435 815724168 /nfs/dbraw/zinc/72/41/68/815724168.db2.gz LWVVJMTWMXTEGI-MJBXVCDLSA-N 3 0 292.427 -0.404 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)C[C@@H](O)C[NH3+])C[C@H]2C1 ZINC001161176446 815726011 /nfs/dbraw/zinc/72/60/11/815726011.db2.gz UYZRSGSQYFWKCE-IJLUTSLNSA-N 2 0 255.362 -0.504 20 0 CBADRP N[C@@]1(C(=O)N2CCC(C3CC[NH2+]CC3)CC2)CC[NH2+]C1 ZINC001161208468 815727826 /nfs/dbraw/zinc/72/78/26/815727826.db2.gz TZXKUZZNLOIASH-HNNXBMFYSA-N 2 0 280.416 -0.085 20 0 CBADRP CCOC(=O)C1(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)C[NH2+]C1 ZINC001161229603 815729616 /nfs/dbraw/zinc/72/96/16/815729616.db2.gz MZCKLTIYTVQQNN-UWVGGRQHSA-N 2 0 269.345 -0.652 20 0 CBADRP C[C@H]1CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC001161229774 815729692 /nfs/dbraw/zinc/72/96/92/815729692.db2.gz VELPTVBRCIPTRL-JBLDHEPKSA-N 3 0 254.378 -0.478 20 0 CBADRP C[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C[C@H](C)[NH2+]1 ZINC001161229536 815730070 /nfs/dbraw/zinc/73/00/70/815730070.db2.gz LVAXHUOUFFQBGM-GARJFASQSA-N 3 0 252.362 -0.996 20 0 CBADRP C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2cncn2C)C[C@H](C)[NH2+]1 ZINC001161229285 815730858 /nfs/dbraw/zinc/73/08/58/815730858.db2.gz ICGVDYHUDBREMG-NHCYSSNCSA-N 2 0 265.361 -0.501 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)[C@@H](C)CO1 ZINC001161235453 815731530 /nfs/dbraw/zinc/73/15/30/815731530.db2.gz ROQAEFMPCCQUSY-AXFHLTTASA-N 2 0 253.346 -0.569 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)[C@@H](C)CO1 ZINC001161235454 815732140 /nfs/dbraw/zinc/73/21/40/815732140.db2.gz ROQAEFMPCCQUSY-HBNTYKKESA-N 2 0 253.346 -0.569 20 0 CBADRP [NH3+]C[C@]1(F)CCN(C(=O)CNC2CC[NH2+]CC2)C1 ZINC001161239622 815734519 /nfs/dbraw/zinc/73/45/19/815734519.db2.gz NVOWPUAOOMSDPH-GFCCVEGCSA-N 2 0 258.341 -0.773 20 0 CBADRP CNC(=O)NC1CCN(C(=O)[C@H](CCCC[NH3+])[NH2+]C)CC1 ZINC001161268394 815735560 /nfs/dbraw/zinc/73/55/60/815735560.db2.gz HHGSEPNRSSEUGF-LBPRGKRZSA-N 2 0 299.419 -0.377 20 0 CBADRP Cc1c[nH+]ccc1N1CCN(C(=O)[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001161306687 815737719 /nfs/dbraw/zinc/73/77/19/815737719.db2.gz WALSDLQOPJMQGX-GXTWGEPZSA-N 2 0 290.367 -0.381 20 0 CBADRP Cc1ccnc(N2CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2)n1 ZINC001161298601 815738239 /nfs/dbraw/zinc/73/82/39/815738239.db2.gz NKMWAXUQLZTFHA-LBPRGKRZSA-N 2 0 292.387 -0.500 20 0 CBADRP CCN(C(=O)CN1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001161330319 815741303 /nfs/dbraw/zinc/74/13/03/815741303.db2.gz LTVDJKIBWUQDPT-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP CCN(C(=O)[C@@H]([NH3+])Cc1cnc[nH]1)[C@H]1CCC[NH2+]C1 ZINC001161329188 815741429 /nfs/dbraw/zinc/74/14/29/815741429.db2.gz WHCTXJHKBMLQBN-RYUDHWBXSA-N 2 0 265.361 -0.120 20 0 CBADRP CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)[C@H]1CCC[NH2+]C1 ZINC001161333608 815742663 /nfs/dbraw/zinc/74/26/63/815742663.db2.gz VIPCCAQDXKXNTG-WDEREUQCSA-N 2 0 285.392 -0.637 20 0 CBADRP CCN(C(=O)[C@@H]1C[NH2+]CC[C@H]1O)[C@@H]1CCC[NH2+]C1 ZINC001161333092 815743037 /nfs/dbraw/zinc/74/30/37/815743037.db2.gz QQALEWKOOZRZRU-IJLUTSLNSA-N 2 0 255.362 -0.443 20 0 CBADRP CC(C)N(C(=O)C[C@H]1COCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC001161353368 815746472 /nfs/dbraw/zinc/74/64/72/815746472.db2.gz OVJXMCMDTHLFLH-RYUDHWBXSA-N 2 0 255.362 -0.036 20 0 CBADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N(C(C)C)[C@H]1CC[NH2+]C1 ZINC001161353582 815747794 /nfs/dbraw/zinc/74/77/94/815747794.db2.gz UCXVZFDOQYBEHD-YNEHKIRRSA-N 2 0 283.372 -0.264 20 0 CBADRP O=C([C@@H]1CC[NH2+]1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161382207 815748165 /nfs/dbraw/zinc/74/81/65/815748165.db2.gz UUPAVRWYMQPCAP-NEPJUHHUSA-N 2 0 253.346 -0.329 20 0 CBADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)CC1 ZINC001161381375 815749117 /nfs/dbraw/zinc/74/91/17/815749117.db2.gz YJNVXSVSPIDASZ-MQYQWHSLSA-N 2 0 278.400 -0.524 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161380742 815749128 /nfs/dbraw/zinc/74/91/28/815749128.db2.gz LKASMDNJIISQNQ-STQMWFEESA-N 2 0 299.371 -0.800 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161378898 815749220 /nfs/dbraw/zinc/74/92/20/815749220.db2.gz NXTAYUSHXCVZMF-OLZOCXBDSA-N 3 0 283.420 -0.923 20 0 CBADRP [NH3+][C@H]1CC[C@@H]1C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161379437 815749240 /nfs/dbraw/zinc/74/92/40/815749240.db2.gz PKPOFKJYQAYDNL-AVGNSLFASA-N 2 0 266.389 -0.252 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161413077 815751368 /nfs/dbraw/zinc/75/13/68/815751368.db2.gz NZIFHEFMJHNTBZ-RVMXOQNASA-N 3 0 268.405 -0.101 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161412334 815751911 /nfs/dbraw/zinc/75/19/11/815751911.db2.gz JOAWGSLRKQTUDX-CRWXNKLISA-N 2 0 296.415 -0.184 20 0 CBADRP CN(CCC(=O)NCCC[NH2+]CCO)c1cc[nH+]cc1 ZINC001161407736 815751975 /nfs/dbraw/zinc/75/19/75/815751975.db2.gz MFZMAQCLVZPZOJ-UHFFFAOYSA-N 2 0 280.372 -0.004 20 0 CBADRP [NH3+][C@H](C(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1)C1CC[NH2+]CC1 ZINC001161411858 815752068 /nfs/dbraw/zinc/75/20/68/815752068.db2.gz BPIIGZQDTZEXJL-XQHKEYJVSA-N 3 0 266.389 -0.491 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161412004 815752099 /nfs/dbraw/zinc/75/20/99/815752099.db2.gz FBQRQOSPDRNFOS-DCAQKATOSA-N 2 0 267.377 -0.165 20 0 CBADRP N=c1ncc(C[NH3+])cn1-c1ncnc2c1CC[NH2+]CC2 ZINC001161415712 815753410 /nfs/dbraw/zinc/75/34/10/815753410.db2.gz XZJYDQKRBGVYLC-UHFFFAOYSA-N 2 0 271.328 -0.711 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161423785 815754086 /nfs/dbraw/zinc/75/40/86/815754086.db2.gz NRTVGMHGZHODNE-RYUDHWBXSA-N 2 0 282.388 -0.608 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC(=O)NC2(CCCC2)C1 ZINC001161416949 815754240 /nfs/dbraw/zinc/75/42/40/815754240.db2.gz NMJMZFXVQUKFOY-NSHDSACASA-N 2 0 282.388 -0.286 20 0 CBADRP C[NH+](C)CCN(C(=O)C[NH2+]CCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161444469 815755446 /nfs/dbraw/zinc/75/54/46/815755446.db2.gz ILFDTIBAKDMWFS-CYBMUJFWSA-N 4 0 285.436 -0.933 20 0 CBADRP COC(=O)[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C[C@@H]1C ZINC001161459779 815757400 /nfs/dbraw/zinc/75/74/00/815757400.db2.gz VDMKGHTXFSCEKF-GARJFASQSA-N 2 0 281.356 -0.937 20 0 CBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1CC[C@@H]1[NH3+])CC2 ZINC001161477370 815758397 /nfs/dbraw/zinc/75/83/97/815758397.db2.gz HKTWVXUPFIQAJC-AYGWYOGXSA-N 2 0 281.356 -0.523 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](C)[NH3+])CC2 ZINC001161478204 815758470 /nfs/dbraw/zinc/75/84/70/815758470.db2.gz LJBSZEKKRMDKTH-PTRXPTGYSA-N 2 0 255.318 -0.913 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)C[C@@H]1[NH3+] ZINC001161492713 815761568 /nfs/dbraw/zinc/76/15/68/815761568.db2.gz WACYPQGNZWBRTC-ZOBORPQBSA-N 2 0 296.415 -0.755 20 0 CBADRP C[N@H+](C1CN(C(=O)C[C@H]2COCC[NH2+]2)C1)[C@H]1CCOC1 ZINC001161497797 815762709 /nfs/dbraw/zinc/76/27/09/815762709.db2.gz FJXGKIRAUHYDTA-RYUDHWBXSA-N 2 0 283.372 -0.704 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC(C(F)F)C1 ZINC001161497543 815762787 /nfs/dbraw/zinc/76/27/87/815762787.db2.gz AIJZHUKYGWFVJM-JTQLQIEISA-N 2 0 276.331 -0.540 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC(C(F)F)C1 ZINC001161497544 815763506 /nfs/dbraw/zinc/76/35/06/815763506.db2.gz AIJZHUKYGWFVJM-SNVBAGLBSA-N 2 0 276.331 -0.540 20 0 CBADRP [NH3+][C@@H](C(=O)N1C[C@H]([NH3+])C2(COC2)C1)c1ccccc1 ZINC001161501606 815764520 /nfs/dbraw/zinc/76/45/20/815764520.db2.gz ZMRYIWHHGOVSSF-NWDGAFQWSA-N 2 0 261.325 -0.128 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)C1 ZINC001161511065 815764896 /nfs/dbraw/zinc/76/48/96/815764896.db2.gz VWWVSRSFIPUQBK-OUAUKWLOSA-N 2 0 253.346 -0.439 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161509872 815764993 /nfs/dbraw/zinc/76/49/93/815764993.db2.gz LZSAPSRVCWLPOX-VHSXEESVSA-N 2 0 271.361 -0.685 20 0 CBADRP [NH3+][C@H](Cc1cccc(O)c1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161510318 815765091 /nfs/dbraw/zinc/76/50/91/815765091.db2.gz NBYBWQQGUKYLCK-CHWSQXEVSA-N 2 0 291.351 -0.552 20 0 CBADRP CC[C@H](C)[C@@H]([NH3+])CC(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161509860 815765331 /nfs/dbraw/zinc/76/53/31/815765331.db2.gz LSHWMDDCNZNNRV-GARJFASQSA-N 2 0 255.362 -0.064 20 0 CBADRP CC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001161525956 815766218 /nfs/dbraw/zinc/76/62/18/815766218.db2.gz GHRPNQDKSUAFQS-RYUDHWBXSA-N 2 0 253.346 -0.107 20 0 CBADRP CC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001161525955 815766259 /nfs/dbraw/zinc/76/62/59/815766259.db2.gz GHRPNQDKSUAFQS-NWDGAFQWSA-N 2 0 253.346 -0.107 20 0 CBADRP CC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161525826 815766416 /nfs/dbraw/zinc/76/64/16/815766416.db2.gz BBSSPBKUHXPMKQ-STQMWFEESA-N 2 0 282.388 -0.683 20 0 CBADRP C[NH+]1CC2(CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C2)C1 ZINC001161531209 815767728 /nfs/dbraw/zinc/76/77/28/815767728.db2.gz CIIHXUXDFIARMF-NSHDSACASA-N 3 0 254.378 -0.393 20 0 CBADRP C[NH+]1CC2(CN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)C2)C1 ZINC001161532113 815768189 /nfs/dbraw/zinc/76/81/89/815768189.db2.gz NKQBGSQPWKFASB-LLVKDONJSA-N 3 0 252.362 -0.913 20 0 CBADRP O=C(N1CC[NH2+]C2(CC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001161545150 815770558 /nfs/dbraw/zinc/77/05/58/815770558.db2.gz NZYLVITZJBZZHJ-GWCFXTLKSA-N 2 0 251.330 -0.813 20 0 CBADRP [NH3+][C@@H](Cc1cscn1)C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161544196 815770683 /nfs/dbraw/zinc/77/06/83/815770683.db2.gz VNEOYBGSOFFTRB-JTQLQIEISA-N 2 0 266.370 -0.023 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[NH2+]C2(CC2)C1)C1CCC(O)CC1 ZINC001161550591 815772258 /nfs/dbraw/zinc/77/22/58/815772258.db2.gz NCCNEALVFSANFH-MCIGGMRASA-N 2 0 267.373 -0.171 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001161644320 815776489 /nfs/dbraw/zinc/77/64/89/815776489.db2.gz LMFSAELXIDCFBM-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001161796076 815788719 /nfs/dbraw/zinc/78/87/19/815788719.db2.gz ZFQMKLDTWYNVBX-LBPRGKRZSA-N 2 0 296.415 -0.025 20 0 CBADRP [NH3+]C1CCN(CCNc2ncnc3c2CC[NH2+]CC3)CC1 ZINC001161867281 815791644 /nfs/dbraw/zinc/79/16/44/815791644.db2.gz NVVPIUQBQWDXGS-UHFFFAOYSA-N 2 0 290.415 0.000 20 0 CBADRP [NH3+]Cc1cn(-c2nccnc2N2CC[NH2+]CC2)cn1 ZINC001162294150 815810422 /nfs/dbraw/zinc/81/04/22/815810422.db2.gz OXONKZGUZBTBBI-UHFFFAOYSA-N 2 0 259.317 -0.469 20 0 CBADRP F[C@@H]1C[NH2+][C@H](CNc2nccnc2N2CC[NH2+]CC2)C1 ZINC001162472125 815829352 /nfs/dbraw/zinc/82/93/52/815829352.db2.gz AFGUMEMSAYSMRD-QWRGUYRKSA-N 2 0 280.351 -0.002 20 0 CBADRP [NH3+][C@H]1COC[C@H]1Nc1ccnc(N2CC[NH2+]CC2)n1 ZINC001162914488 815846813 /nfs/dbraw/zinc/84/68/13/815846813.db2.gz VMGMAVWJYLJRST-VHSXEESVSA-N 2 0 264.333 -0.976 20 0 CBADRP C[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872639 815847223 /nfs/dbraw/zinc/84/72/23/815847223.db2.gz ZCKDZTRRFPURKS-KLNSDEMFSA-N 2 0 297.399 -0.674 20 0 CBADRP C[C@@H]1CN(c2ccc(N[C@@H]3COC[C@@H]3[NH3+])nn2)CC[NH2+]1 ZINC001162917305 815848821 /nfs/dbraw/zinc/84/88/21/815848821.db2.gz MDTMFJCVIVENDX-OUAUKWLOSA-N 2 0 278.360 -0.587 20 0 CBADRP [NH3+][C@H]1COC[C@H]1Nc1ccnc(N2CCC([NH3+])CC2)n1 ZINC001162917926 815848914 /nfs/dbraw/zinc/84/89/14/815848914.db2.gz YZHGMHKBGSPGJX-WDEREUQCSA-N 2 0 278.360 -0.458 20 0 CBADRP c1cc(C2C[NH2+]C2)nc(N[C@@H]2COCCC23C[NH2+]C3)n1 ZINC001163072536 815857047 /nfs/dbraw/zinc/85/70/47/815857047.db2.gz FURLJDULCPVVQN-GFCCVEGCSA-N 2 0 275.356 -0.046 20 0 CBADRP O=c1[nH]cc2[nH]c([NH2+]C[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)ccc1-2 ZINC001163094293 815858644 /nfs/dbraw/zinc/85/86/44/815858644.db2.gz KRILVDRRKZVJPB-HLUHBDAQSA-N 2 0 274.324 -0.029 20 0 CBADRP c1nc2c(c(N[C@@H]3C[NH2+][C@@H]4COC[C@H]34)n1)C[NH2+]CC2 ZINC001163137798 815861228 /nfs/dbraw/zinc/86/12/28/815861228.db2.gz SZOPIQDXFPCIJD-YUSALJHKSA-N 2 0 261.329 -0.479 20 0 CBADRP c1nc(O[C@@H]2CC[NH2+]C2)ncc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163202065 815865063 /nfs/dbraw/zinc/86/50/63/815865063.db2.gz FFJQZIVQKLTLDJ-MPKXVKKWSA-N 2 0 291.355 -0.240 20 0 CBADRP CN1CCOc2c1cn[nH+]c2NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163192973 815865459 /nfs/dbraw/zinc/86/54/59/815865459.db2.gz HSTDGEQRPYSIMC-NOZJJQNGSA-N 2 0 277.328 -0.152 20 0 CBADRP NC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163223996 815866039 /nfs/dbraw/zinc/86/60/39/815866039.db2.gz PQYFAZZCUVAWLE-CYBMUJFWSA-N 2 0 282.388 -0.558 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccc3c(n2)C[NH2+]CC3)N1 ZINC001163239989 815869694 /nfs/dbraw/zinc/86/96/94/815869694.db2.gz WWEXIHCGWYDLNV-BXUZGUMPSA-N 2 0 273.340 -0.283 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cccnc2OC2C[NH2+]C2)N1 ZINC001163253834 815875458 /nfs/dbraw/zinc/87/54/58/815875458.db2.gz NHTGTAWFVZMBAE-SMDDNHRTSA-N 2 0 289.339 -0.578 20 0 CBADRP c1cnc(N2CC[NH2+]CC2)c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)n1 ZINC001163333368 815877553 /nfs/dbraw/zinc/87/75/53/815877553.db2.gz RGAAWQSTFHSPOB-WOPDTQHZSA-N 2 0 290.371 -0.573 20 0 CBADRP Cc1nnc(C[NH3+])n1-c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001163350558 815881820 /nfs/dbraw/zinc/88/18/20/815881820.db2.gz BVHXVWWIXZZLMH-UHFFFAOYSA-N 2 0 289.343 -0.045 20 0 CBADRP CN(CC[NH3+])c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001163688221 815895890 /nfs/dbraw/zinc/89/58/90/815895890.db2.gz TZXBXAJWXBWONZ-UHFFFAOYSA-N 2 0 263.345 -0.478 20 0 CBADRP C[NH2+]C1CN(c2nccc(N3CCC([NH3+])CC3)n2)C1 ZINC001163706916 815898015 /nfs/dbraw/zinc/89/80/15/815898015.db2.gz NAKPWUGCTDACHO-UHFFFAOYSA-N 2 0 262.361 -0.188 20 0 CBADRP C[NH+](C)CCC(=O)NCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001292947708 816492759 /nfs/dbraw/zinc/49/27/59/816492759.db2.gz WXQRGGUJBOQXOI-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCNC(=O)CCC[NH+](C)C)C1 ZINC001293072323 816500819 /nfs/dbraw/zinc/50/08/19/816500819.db2.gz XZZABBYSALLUCV-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001304083879 816778874 /nfs/dbraw/zinc/77/88/74/816778874.db2.gz KRKXHNFCHDXDAU-LLVKDONJSA-N 2 0 255.362 -0.083 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1nccnc1C[NH3+] ZINC001307169892 816797880 /nfs/dbraw/zinc/79/78/80/816797880.db2.gz QULGRPXBUTZIAJ-NSHDSACASA-N 2 0 278.360 -0.313 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCO ZINC001316790421 816878893 /nfs/dbraw/zinc/87/88/93/816878893.db2.gz CZKDDMZBVTYHKO-NEPJUHHUSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NC ZINC001316909711 816903217 /nfs/dbraw/zinc/90/32/17/816903217.db2.gz UNUZUBHOBOCYRH-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001317067118 816926858 /nfs/dbraw/zinc/92/68/58/816926858.db2.gz NDEQLVJOYAQGPZ-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](C[NH2+]CCO)C2)C1 ZINC001317161151 816937553 /nfs/dbraw/zinc/93/75/53/816937553.db2.gz AIAZCGSPTCEJOO-OLZOCXBDSA-N 2 0 269.389 -0.241 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001317244937 816949236 /nfs/dbraw/zinc/94/92/36/816949236.db2.gz FPVWOSANNYLWPZ-WDEREUQCSA-N 2 0 257.378 -0.054 20 0 CBADRP C[C@H](O)C[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001317281512 816958225 /nfs/dbraw/zinc/95/82/25/816958225.db2.gz DFIJAUWGJUCXTF-QWRGUYRKSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCO ZINC001317397944 816970895 /nfs/dbraw/zinc/97/08/95/816970895.db2.gz OEVNRQZLCNHXIM-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCO ZINC001317407956 816973865 /nfs/dbraw/zinc/97/38/65/816973865.db2.gz ZUTXBIZZPSODCL-RYUDHWBXSA-N 2 0 257.378 -0.195 20 0 CBADRP CN(CC[NH2+]C[C@H]1CCNC(=O)CC1)C(=O)CC[NH+](C)C ZINC001317623718 817032819 /nfs/dbraw/zinc/03/28/19/817032819.db2.gz NZGRYKGASUMONO-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@@H](O)C[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317652738 817040737 /nfs/dbraw/zinc/04/07/37/817040737.db2.gz CNXSITRJOGDQSV-NEPJUHHUSA-N 2 0 257.378 -0.243 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001317662612 817042524 /nfs/dbraw/zinc/04/25/24/817042524.db2.gz ZGNCIJQWXBROTJ-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001317661951 817043128 /nfs/dbraw/zinc/04/31/28/817043128.db2.gz RNXOIVPDKMXRQF-UHFFFAOYSA-N 2 0 298.431 -0.001 20 0 CBADRP CN(CC[NH2+]CC(N)=O)C(=O)CC[NH+]1CCCCC1 ZINC001317668860 817044047 /nfs/dbraw/zinc/04/40/47/817044047.db2.gz DOZMKVTUXRHCPO-UHFFFAOYSA-N 2 0 270.377 -0.604 20 0 CBADRP CC[C@H](C(=O)NCC1C[NH+](CCCO)C1)[NH+](C)C ZINC001318129154 817079524 /nfs/dbraw/zinc/07/95/24/817079524.db2.gz JFUQIIIAJMKMBY-GFCCVEGCSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@@H](O)C[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001318168801 817083173 /nfs/dbraw/zinc/08/31/73/817083173.db2.gz IVSKVMLPAKIFRN-VXGBXAGGSA-N 2 0 269.389 -0.243 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCO ZINC001318223510 817087478 /nfs/dbraw/zinc/08/74/78/817087478.db2.gz AGLAKICHWPJTRQ-STQMWFEESA-N 2 0 269.389 -0.004 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C[C@@H](C)O)C1 ZINC001318367117 817102627 /nfs/dbraw/zinc/10/26/27/817102627.db2.gz NZWBIEZENGPITA-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C[C@H](C)O)C1 ZINC001318367114 817102855 /nfs/dbraw/zinc/10/28/55/817102855.db2.gz NZWBIEZENGPITA-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C[NH2+]CCO ZINC001319281043 817185029 /nfs/dbraw/zinc/18/50/29/817185029.db2.gz CGYLKEPAZCFVQR-OLZOCXBDSA-N 2 0 287.404 -0.711 20 0 CBADRP C[C@H](C[NH2+]CCO)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001319460366 817208250 /nfs/dbraw/zinc/20/82/50/817208250.db2.gz KTLSDHDZPNQGAF-YPMHNXCESA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@H](C[NH2+]CCCO)N(C)C(=O)C[NH+]1CCCC1 ZINC001319575148 817220889 /nfs/dbraw/zinc/22/08/89/817220889.db2.gz UNVUMIIAMXNAON-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP O=C(NCC[NH+]1CC=CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC001319715418 817235458 /nfs/dbraw/zinc/23/54/58/817235458.db2.gz RTZAQJIQFPTKEB-ZDUSSCGKSA-N 2 0 264.373 -0.636 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCn1cccn1 ZINC001320204692 817291638 /nfs/dbraw/zinc/29/16/38/817291638.db2.gz QGTPDGPRRXIOMR-CHWSQXEVSA-N 2 0 295.387 -0.956 20 0 CBADRP CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001320218728 817295612 /nfs/dbraw/zinc/29/56/12/817295612.db2.gz UKTGAGZDHHZJLA-NWDGAFQWSA-N 2 0 257.378 -0.054 20 0 CBADRP CC(C)OCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001320255966 817305343 /nfs/dbraw/zinc/30/53/43/817305343.db2.gz CCFFOAVNCISUNL-QWHCGFSZSA-N 2 0 287.404 -0.428 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCO)C1 ZINC001320262354 817309018 /nfs/dbraw/zinc/30/90/18/817309018.db2.gz GYPQUNUZLCZFKI-OLZOCXBDSA-N 2 0 287.404 -0.833 20 0 CBADRP C[C@@H](CC[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)CC[NH+](C)C ZINC001320542837 817352645 /nfs/dbraw/zinc/35/26/45/817352645.db2.gz LPWKNUBIEGMOBK-WDEREUQCSA-N 2 0 298.387 -0.772 20 0 CBADRP C[C@H](CC[NH2+]Cc1cnnn1C)NC(=O)C[NH+]1CCCC1 ZINC001320640141 817365780 /nfs/dbraw/zinc/36/57/80/817365780.db2.gz NIOPASCMERAHJY-GFCCVEGCSA-N 2 0 294.403 -0.105 20 0 CBADRP CCCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320922605 817410709 /nfs/dbraw/zinc/41/07/09/817410709.db2.gz VADURQUYWIJIHL-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)C(N)=O ZINC001321083131 817438755 /nfs/dbraw/zinc/43/87/55/817438755.db2.gz HEDGQVVJJNZSBA-OEFFGFFESA-N 2 0 296.415 -0.003 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@H](C)C(N)=O ZINC001321083129 817438853 /nfs/dbraw/zinc/43/88/53/817438853.db2.gz HEDGQVVJJNZSBA-IJWDBEHRSA-N 2 0 296.415 -0.003 20 0 CBADRP CN(C)C(=O)C[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001321222754 817464661 /nfs/dbraw/zinc/46/46/61/817464661.db2.gz LPCCHVKRVOZSKU-PLNGDYQASA-N 2 0 296.415 -0.322 20 0 CBADRP CN(C)C(=O)C[NH2+]C/C=C\CNC(=O)CC[NH+](C)C ZINC001321224954 817465560 /nfs/dbraw/zinc/46/55/60/817465560.db2.gz XIBGBGBLGVHHTR-WAYWQWQTSA-N 2 0 270.377 -0.712 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC/C=C\C[NH2+]CC(N)=O)C1 ZINC001321334724 817484041 /nfs/dbraw/zinc/48/40/41/817484041.db2.gz DDFCYXQCZKFZBJ-FGTRRKKMSA-N 2 0 296.415 -0.146 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001321334690 817484305 /nfs/dbraw/zinc/48/43/05/817484305.db2.gz CJQGUWANEGQZOQ-WWKJKZQJSA-N 2 0 296.415 -0.275 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]CC(=O)N1CCC1 ZINC001321418971 817496907 /nfs/dbraw/zinc/49/69/07/817496907.db2.gz NBFBCVWJOOKQEC-PLNGDYQASA-N 2 0 296.415 -0.179 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])CCO1 ZINC001221010314 825134980 /nfs/dbraw/zinc/13/49/80/825134980.db2.gz FHMCDGQWZOBABF-GUBZILKMSA-N 2 0 261.391 -0.311 20 0 CBADRP [NH3+]CCS(=O)(=O)N(C1CCC1)C1CC[NH2+]CC1 ZINC001239162087 825595089 /nfs/dbraw/zinc/59/50/89/825595089.db2.gz UITSNIXDJPECSB-UHFFFAOYSA-N 2 0 261.391 -0.119 20 0 CBADRP C[C@@H](O)C[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001267225944 827132303 /nfs/dbraw/zinc/13/23/03/827132303.db2.gz IOHNYXQMYTXBMB-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001163833154 819856139 /nfs/dbraw/zinc/85/61/39/819856139.db2.gz KMEXZOKXTVQSCT-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP COC(=O)Cc1cc(N(CC[NH3+])CCO)cc[nH+]1 ZINC001163836587 819857226 /nfs/dbraw/zinc/85/72/26/819857226.db2.gz VPJBZPVOOFRQQY-UHFFFAOYSA-N 2 0 253.302 -0.446 20 0 CBADRP [NH3+]CCON=c1cc[nH]c(N2CCC([NH3+])CC2)n1 ZINC001164414856 819911769 /nfs/dbraw/zinc/91/17/69/819911769.db2.gz NFOKTZYWHHETKO-UHFFFAOYSA-N 2 0 252.322 -0.294 20 0 CBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCCO)C1 ZINC001164535980 819921943 /nfs/dbraw/zinc/92/19/43/819921943.db2.gz IXDOKHMGBQFNQN-ZDUSSCGKSA-N 2 0 287.404 -0.426 20 0 CBADRP C[NH+]1C[C@@H]2CN(c3cncc(N4CC[NH2+]CC4)n3)C[C@H]2C1 ZINC001165154218 819941284 /nfs/dbraw/zinc/94/12/84/819941284.db2.gz YWTIEXVUGUTITK-CHWSQXEVSA-N 2 0 288.399 -0.116 20 0 CBADRP C[NH+]1CCN(c2ccc(N3C[C@H]4C[NH2+][C@@H]4C3)nn2)CC1 ZINC001165194760 819943507 /nfs/dbraw/zinc/94/35/07/819943507.db2.gz NMZCEQDEIWWUOT-VXGBXAGGSA-N 2 0 274.372 -0.364 20 0 CBADRP Cn1ncc(C[NH2+]CCCNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001165254324 819944375 /nfs/dbraw/zinc/94/43/75/819944375.db2.gz PKHWOOQNLTVTDF-UHFFFAOYSA-N 2 0 294.403 -0.247 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001165262992 819944565 /nfs/dbraw/zinc/94/45/65/819944565.db2.gz MQHVFKUCZJWHRR-JTQLQIEISA-N 2 0 270.377 -0.702 20 0 CBADRP Cn1cc(C[NH2+]CCCNC(=O)C2(C[NH+](C)C)CC2)nn1 ZINC001165253894 819944712 /nfs/dbraw/zinc/94/47/12/819944712.db2.gz KNHLBBPAZIPXBD-UHFFFAOYSA-N 2 0 294.403 -0.247 20 0 CBADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CC(=O)NC2CC2)CC1 ZINC001165253436 819944778 /nfs/dbraw/zinc/94/47/78/819944778.db2.gz FVASLMZZURPSGU-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001165263472 819945115 /nfs/dbraw/zinc/94/51/15/819945115.db2.gz RCNFDOOKRXEWKV-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+](C)CC1(C(=O)NCCC[NH2+][C@H]2CCCNC2=O)CC1 ZINC001165252876 819945248 /nfs/dbraw/zinc/94/52/48/819945248.db2.gz BGHSGGSGLLSMLC-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP Cc1nc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)cc(N(C)C)[nH+]1 ZINC001165282404 819945847 /nfs/dbraw/zinc/94/58/47/819945847.db2.gz ZVWVXMJMJGOMRU-RISCZKNCSA-N 2 0 277.372 -0.131 20 0 CBADRP [NH3+]Cc1cc(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)ncn1 ZINC001165288820 819949461 /nfs/dbraw/zinc/94/94/61/819949461.db2.gz SRRORCFINVFGSN-ZYHUDNBSSA-N 2 0 263.345 -0.250 20 0 CBADRP c1c2c(nnc1N1CCOCC13C[NH2+]C3)CC[NH2+]C2 ZINC001165289056 819949559 /nfs/dbraw/zinc/94/95/59/819949559.db2.gz WZWOVNDKXCWTLI-UHFFFAOYSA-N 2 0 261.329 -0.699 20 0 CBADRP Cc1cnc(N2CCNC(=O)C23C[NH2+]C3)c(C[NH3+])c1 ZINC001165301854 819954006 /nfs/dbraw/zinc/95/40/06/819954006.db2.gz DCYIFGPQMICOKM-UHFFFAOYSA-N 2 0 261.329 -0.873 20 0 CBADRP C[NH+](C)CCCC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001165360810 819956823 /nfs/dbraw/zinc/95/68/23/819956823.db2.gz SVNYJFWEGCVTPJ-LLVKDONJSA-N 2 0 298.387 -0.771 20 0 CBADRP Cn1cnnc1C[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165366607 819958092 /nfs/dbraw/zinc/95/80/92/819958092.db2.gz AGTORMFJVKTEQW-UHFFFAOYSA-N 2 0 282.392 -0.247 20 0 CBADRP c1ncc(N2CCC[C@@H]3[NH2+]C[C@H]32)nc1N1CC[NH2+]CC1 ZINC001165390163 819959798 /nfs/dbraw/zinc/95/97/98/819959798.db2.gz CXDMGIRFGKLKSR-NWDGAFQWSA-N 2 0 274.372 -0.173 20 0 CBADRP c1cc(N2CCC[C@H]3[NH2+]C[C@@H]32)nnc1N1CC[NH2+]CC1 ZINC001165390443 819960486 /nfs/dbraw/zinc/96/04/86/819960486.db2.gz LEAQRZWLYAHYSC-NEPJUHHUSA-N 2 0 274.372 -0.173 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCN1c1ncc(C)cc1C[NH3+] ZINC001165443339 819965740 /nfs/dbraw/zinc/96/57/40/819965740.db2.gz USAZYSNTZYPLFZ-LLVKDONJSA-N 2 0 264.329 -0.200 20 0 CBADRP C[NH+](C)[C@H](C(=O)NCCC1(C[NH2+]CC(N)=O)CC1)C1CC1 ZINC001165484369 819968716 /nfs/dbraw/zinc/96/87/16/819968716.db2.gz CSVZIIJONUTLSE-ZDUSSCGKSA-N 2 0 296.415 -0.312 20 0 CBADRP C[NH+]1CCC(C(=O)NCCC[NH2+]CC(=O)NC2CC2)CC1 ZINC001165772808 819981542 /nfs/dbraw/zinc/98/15/42/819981542.db2.gz ZLXWWSCHBWGVER-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165781296 819983751 /nfs/dbraw/zinc/98/37/51/819983751.db2.gz OKVBRNYKLQUAOP-JTQLQIEISA-N 2 0 258.366 -0.832 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166010150 819990164 /nfs/dbraw/zinc/99/01/64/819990164.db2.gz ISTMKOOGCHBDAQ-NWDGAFQWSA-N 2 0 286.420 -0.197 20 0 CBADRP COc1c(C2C[NH2+]C2)ncnc1-n1ccnc1CC[NH3+] ZINC001166350801 819998201 /nfs/dbraw/zinc/99/82/01/819998201.db2.gz CBUQLWLGCFAADT-UHFFFAOYSA-N 2 0 274.328 -0.141 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC)[NH+](CC)CC ZINC001166424312 819999936 /nfs/dbraw/zinc/99/99/36/819999936.db2.gz DLSGEFAUCLNYOU-GFCCVEGCSA-N 2 0 286.420 -0.051 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001166626456 820008205 /nfs/dbraw/zinc/00/82/05/820008205.db2.gz GTVUJBJUUCRWRR-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CCOCCO ZINC001166627058 820008450 /nfs/dbraw/zinc/00/84/50/820008450.db2.gz OWRKYVVBXZKQCA-CYBMUJFWSA-N 2 0 287.404 -0.425 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166634874 820008896 /nfs/dbraw/zinc/00/88/96/820008896.db2.gz WVUXBQVPZSDKJP-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166627116 820009871 /nfs/dbraw/zinc/00/98/71/820009871.db2.gz QGBOHSCJJFQEBP-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001166634173 820010216 /nfs/dbraw/zinc/01/02/16/820010216.db2.gz PZHMJVNTLFLRJY-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CCCO ZINC001166626826 820010468 /nfs/dbraw/zinc/01/04/68/820010468.db2.gz KKMAENZLCWWQSB-GFCCVEGCSA-N 2 0 257.378 -0.051 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C)C(N)=O ZINC001166626161 820010734 /nfs/dbraw/zinc/01/07/34/820010734.db2.gz BVDLXVPFDQPSND-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CCn2cncn2)C1 ZINC001166678110 820013312 /nfs/dbraw/zinc/01/33/12/820013312.db2.gz SBVVORDMJUSAIH-ZDUSSCGKSA-N 2 0 294.403 -0.284 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166668092 820013805 /nfs/dbraw/zinc/01/38/05/820013805.db2.gz QLSAHOUCIYLJLL-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166667403 820013950 /nfs/dbraw/zinc/01/39/50/820013950.db2.gz AKLRTPIFDNPFML-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)N2CCC2)C1 ZINC001166667600 820015140 /nfs/dbraw/zinc/01/51/40/820015140.db2.gz DNYOPCPTBXLEDW-ZDUSSCGKSA-N 2 0 296.415 -0.344 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(N)=O ZINC001166678509 820015645 /nfs/dbraw/zinc/01/56/45/820015645.db2.gz WAJOAFPCXOWWHH-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1cnon1 ZINC001166692881 820015844 /nfs/dbraw/zinc/01/58/44/820015844.db2.gz QXXHIEMIHYLVGO-JQWIXIFHSA-N 2 0 281.360 -0.137 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166708594 820017690 /nfs/dbraw/zinc/01/76/90/820017690.db2.gz UMFVZVBQIXSUMP-STQMWFEESA-N 2 0 298.431 -0.242 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166708593 820018356 /nfs/dbraw/zinc/01/83/56/820018356.db2.gz UMFVZVBQIXSUMP-QWHCGFSZSA-N 2 0 298.431 -0.242 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001166708669 820018845 /nfs/dbraw/zinc/01/88/45/820018845.db2.gz VXGRULXDCHNNSC-WCQYABFASA-N 2 0 296.415 -0.441 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166708591 820019200 /nfs/dbraw/zinc/01/92/00/820019200.db2.gz UMFVZVBQIXSUMP-CHWSQXEVSA-N 2 0 298.431 -0.242 20 0 CBADRP C[N@H+](CC(=O)NCCC[NH2+][C@@H]1CCNC1=O)CC(C)(C)C ZINC001166744525 820035766 /nfs/dbraw/zinc/03/57/66/820035766.db2.gz YMMBKTYXHYLDDL-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+][C@@H]1CCCNC1=O)[NH+](C)C ZINC001166858595 820041647 /nfs/dbraw/zinc/04/16/47/820041647.db2.gz WVELMQHRNAFUKX-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001166857670 820042774 /nfs/dbraw/zinc/04/27/74/820042774.db2.gz FXZQNNBKYCHQOY-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC)[NH+](C)C ZINC001166865113 820042858 /nfs/dbraw/zinc/04/28/58/820042858.db2.gz AFYVVGWCKACEHS-JTQLQIEISA-N 2 0 258.366 -0.832 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ncc2c(n1)CC[NH2+]C2 ZINC001166961505 820054003 /nfs/dbraw/zinc/05/40/03/820054003.db2.gz MCAUIWHHEXVRMP-KOLCDFICSA-N 2 0 277.328 -0.799 20 0 CBADRP Cc1cnc(N(C2C[NH2+]C2)S(C)(=O)=O)nc1C1C[NH2+]C1 ZINC001166972827 820059245 /nfs/dbraw/zinc/05/92/45/820059245.db2.gz ZRTGLOIYGHTOIZ-UHFFFAOYSA-N 2 0 297.384 -0.790 20 0 CBADRP C[NH+]1CCC(C(=O)NCCC2(C[NH2+]CC(N)=O)CC2)CC1 ZINC001166979046 820059520 /nfs/dbraw/zinc/05/95/20/820059520.db2.gz IZVGOVKJDNPBDD-UHFFFAOYSA-N 2 0 296.415 -0.310 20 0 CBADRP CN(c1nccc(N2CCC([NH3+])CC2)n1)C1C[NH2+]C1 ZINC001166978442 820059969 /nfs/dbraw/zinc/05/99/69/820059969.db2.gz PBXJNOIBBMCAIA-UHFFFAOYSA-N 2 0 262.361 -0.188 20 0 CBADRP [NH3+][C@H]1CN(c2nc(Cl)nc3c2CC[NH2+]C3)C[C@H]1O ZINC001167089122 820068278 /nfs/dbraw/zinc/06/82/78/820068278.db2.gz AVMFROMDARGYBP-IONNQARKSA-N 2 0 269.736 -0.716 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167667553 820107884 /nfs/dbraw/zinc/10/78/84/820107884.db2.gz LGQASISZSFATSB-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001167639971 820108519 /nfs/dbraw/zinc/10/85/19/820108519.db2.gz JKVMPPBZLZYZGV-UHFFFAOYSA-N 2 0 284.404 -0.310 20 0 CBADRP COc1c(C2C[NH2+]C2)ncnc1-n1ccc(C[NH3+])cc1=N ZINC001167693005 820111674 /nfs/dbraw/zinc/11/16/74/820111674.db2.gz RMSVJJDMDRNJEI-UHFFFAOYSA-N 2 0 286.339 -0.099 20 0 CBADRP N=c1cc(C[NH3+])ccn1-c1nccc(N2CC[NH2+]CC2)n1 ZINC001167683354 820112060 /nfs/dbraw/zinc/11/20/60/820112060.db2.gz LEPIHMGMATVSMN-UHFFFAOYSA-N 2 0 285.355 -0.385 20 0 CBADRP [NH3+]CCc1nnn(-c2cc[nH+]c(N3CCOCC3)c2)n1 ZINC001167790080 820117404 /nfs/dbraw/zinc/11/74/04/820117404.db2.gz CNIZPGBPQUJRRZ-UHFFFAOYSA-N 2 0 275.316 -0.605 20 0 CBADRP Nc1[nH+]ccn1Cc1ccccc1-n1nnc(CC[NH3+])n1 ZINC001167793280 820121577 /nfs/dbraw/zinc/12/15/77/820121577.db2.gz YXSQZVGMCUFHNB-UHFFFAOYSA-N 2 0 284.327 -0.010 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])Nc1nccc(C2C[NH2+]C2)n1 ZINC001167880305 820125108 /nfs/dbraw/zinc/12/51/08/820125108.db2.gz HCZCCBCDAAWKRK-UHFFFAOYSA-N 3 0 263.349 -0.161 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])Nc1nccnc1N1CCOCC1 ZINC001167880415 820125167 /nfs/dbraw/zinc/12/51/67/820125167.db2.gz MGBYHNBPJVNLLJ-UHFFFAOYSA-N 2 0 293.375 -0.012 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])Nc1ncnc2c1CC(=O)N2 ZINC001167879227 820125310 /nfs/dbraw/zinc/12/53/10/820125310.db2.gz IVEWPKOYYHEQGO-UHFFFAOYSA-N 2 0 263.305 -0.354 20 0 CBADRP N=C(Nc1ccnc(N2CC[NH2+]CC2)n1)SCC[NH3+] ZINC001167910789 820128935 /nfs/dbraw/zinc/12/89/35/820128935.db2.gz XKXSSYZJOUDWLZ-UHFFFAOYSA-N 2 0 281.389 -0.075 20 0 CBADRP C[NH+]1CCN(c2cc(-n3cc(C[NH3+])cn3)ncn2)CC1 ZINC001168257410 820153253 /nfs/dbraw/zinc/15/32/53/820153253.db2.gz WCFQVAPBEAVHOG-UHFFFAOYSA-N 2 0 273.344 -0.127 20 0 CBADRP CN1CCN(C(=[NH2+])Nc2ncnc3c2C[NH2+]CC3)CC1 ZINC001168737050 820170397 /nfs/dbraw/zinc/17/03/97/820170397.db2.gz VGBVMHQJMXGJRE-UHFFFAOYSA-N 2 0 275.360 -0.284 20 0 CBADRP CCCNC(=O)C[NH2+]CCCNC(=O)C[NH+](CC)CC ZINC001168754902 820174762 /nfs/dbraw/zinc/17/47/62/820174762.db2.gz DKAQSNZGUVVSBT-UHFFFAOYSA-N 2 0 286.420 -0.050 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)C[NH+](CC)CC)C(N)=O ZINC001168763931 820179851 /nfs/dbraw/zinc/17/98/51/820179851.db2.gz VEJQVZXZPCMHIA-NSHDSACASA-N 2 0 272.393 -0.312 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001168764308 820181083 /nfs/dbraw/zinc/18/10/83/820181083.db2.gz YAUYMLOSBVLXTR-LBPRGKRZSA-N 2 0 286.420 -0.099 20 0 CBADRP [NH3+][C@@H]1CCc2nn(-c3nccnc3N3CC[NH2+]CC3)cc2C1 ZINC001168807459 820183683 /nfs/dbraw/zinc/18/36/83/820183683.db2.gz HPAVEINUHJMAQP-GFCCVEGCSA-N 2 0 299.382 -0.112 20 0 CBADRP [NH3+]Cc1nnnn1-c1ccc([C@@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001168919875 820191496 /nfs/dbraw/zinc/19/14/96/820191496.db2.gz ADCZRFVHMPOPAE-NSHDSACASA-N 2 0 299.338 -0.728 20 0 CBADRP [NH3+]Cc1nnnn1-c1cccc2c1NC(=O)C21CC[NH2+]CC1 ZINC001168924451 820194797 /nfs/dbraw/zinc/19/47/97/820194797.db2.gz XOGZWCVJHWNZTR-UHFFFAOYSA-N 2 0 299.338 -0.306 20 0 CBADRP COc1c(C2C[NH2+]C2)ncnc1-n1nncc1C[NH3+] ZINC001169311472 820225748 /nfs/dbraw/zinc/22/57/48/820225748.db2.gz WXODZLHVAVQHLM-UHFFFAOYSA-N 2 0 261.289 -0.789 20 0 CBADRP C[NH+]1CCN(c2cc(-n3nncc3C[NH3+])ncn2)CC1 ZINC001169308876 820225983 /nfs/dbraw/zinc/22/59/83/820225983.db2.gz UCLAWAUXVFHVMO-UHFFFAOYSA-N 2 0 274.332 -0.732 20 0 CBADRP [NH3+]Cc1cnnn1-c1nc(Cl)nc2c1C[NH2+]C2 ZINC001169304578 820226267 /nfs/dbraw/zinc/22/62/67/820226267.db2.gz ZIMQGXZWHZJVNM-UHFFFAOYSA-N 2 0 251.681 -0.227 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCN2CC[NH+](C)CC2)CO1 ZINC001169312665 820228052 /nfs/dbraw/zinc/22/80/52/820228052.db2.gz DEOJJFSXDNMDOM-KBPBESRZSA-N 2 0 299.415 -0.066 20 0 CBADRP [NH3+]Cc1cnnn1-c1ccc2nc([C@H]3CC[NH2+]C3)nn2c1 ZINC001169312026 820228430 /nfs/dbraw/zinc/22/84/30/820228430.db2.gz YJFWWFXCYBMEPD-VIFPVBQESA-N 2 0 284.327 -0.154 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@H](NC(=[NH2+])NCCCC[NH3+])CO1 ZINC001169321152 820230046 /nfs/dbraw/zinc/23/00/46/820230046.db2.gz LDXSZLVVKZBYDO-QWRGUYRKSA-N 2 0 286.376 -0.050 20 0 CBADRP CC(=O)N1CC[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC001169501703 820248094 /nfs/dbraw/zinc/24/80/94/820248094.db2.gz CGFPGPIDBALZQM-CQSZACIVSA-N 2 0 269.389 -0.099 20 0 CBADRP CC(=O)N1CC[C@@H]([N@H+](C)CCN2CC[NH+](C)CC2)C1 ZINC001169555655 820255802 /nfs/dbraw/zinc/25/58/02/820255802.db2.gz JTSBGGMDJXBCGM-CQSZACIVSA-N 2 0 268.405 -0.214 20 0 CBADRP CC(=O)N1CCC[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C1 ZINC001169589733 820258121 /nfs/dbraw/zinc/25/81/21/820258121.db2.gz SWWLMDXDCOMKQF-LLVKDONJSA-N 2 0 288.352 -0.865 20 0 CBADRP C[C@H]1CN(c2ccc(NC[C@@H]3COCC[NH2+]3)nn2)CC[NH2+]1 ZINC001170034365 820274536 /nfs/dbraw/zinc/27/45/36/820274536.db2.gz CCSRXMLQQFNDSM-NWDGAFQWSA-N 2 0 292.387 -0.325 20 0 CBADRP c1cnc(NC[C@@H]2COCC[NH2+]2)c(N2CC[NH2+]CC2)c1 ZINC001170035012 820274903 /nfs/dbraw/zinc/27/49/03/820274903.db2.gz IARSGNYEWKNCQS-GFCCVEGCSA-N 2 0 277.372 -0.109 20 0 CBADRP c1cnc(OC2C[NH2+]C2)c(NC[C@H]2COCC[NH2+]2)c1 ZINC001170046148 820275728 /nfs/dbraw/zinc/27/57/28/820275728.db2.gz DWWSVONFLZAQMT-JTQLQIEISA-N 2 0 264.329 -0.168 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CCn1cncn1 ZINC001170221507 820282810 /nfs/dbraw/zinc/28/28/10/820282810.db2.gz CEWPDABGCOUPJE-UHFFFAOYSA-N 2 0 282.392 -0.284 20 0 CBADRP [NH3+]CCOCCOCCNc1ccnc(C[NH3+])c1 ZINC001170511202 820297211 /nfs/dbraw/zinc/29/72/11/820297211.db2.gz MOLBRNUKBIWPGF-UHFFFAOYSA-N 2 0 254.334 -0.056 20 0 CBADRP [NH3+]CCOCCOCCNc1ncnc2c1C[NH2+]CC2 ZINC001170505376 820297878 /nfs/dbraw/zinc/29/78/78/820297878.db2.gz NBOYTLCNMPHQRS-UHFFFAOYSA-N 2 0 281.360 -0.474 20 0 CBADRP C[C@@H]1CN(c2ccc(N[C@@H]3C[NH2+]C[C@H]3CO)nn2)CC[NH2+]1 ZINC001170773193 820316136 /nfs/dbraw/zinc/31/61/36/820316136.db2.gz FURXBWMEWOPECS-GRYCIOLGSA-N 2 0 292.387 -0.733 20 0 CBADRP OC[C@H]1C[NH2+]C[C@H]1Nc1ccc2c(n1)OCC[NH2+]C2 ZINC001170772702 820316391 /nfs/dbraw/zinc/31/63/91/820316391.db2.gz DJLNBYJZBNIFRM-GHMZBOCLSA-N 2 0 264.329 -0.444 20 0 CBADRP OC[C@H]1C[NH2+]C[C@H]1Nc1cc(N2CCOCC2)cc[nH+]1 ZINC001170772418 820317164 /nfs/dbraw/zinc/31/71/64/820317164.db2.gz CIXMSRBINSIIJN-DGCLKSJQSA-N 2 0 278.356 -0.090 20 0 CBADRP [NH3+]C1CCN(c2nccc(N[C@H]3C[NH2+]C[C@@H]3CO)n2)CC1 ZINC001170779885 820321862 /nfs/dbraw/zinc/32/18/62/820321862.db2.gz YZRKSTYMLUKVOT-PWSUYJOCSA-N 2 0 292.387 -0.604 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@H]1Nc1ccc(OC2C[NH2+]C2)cn1 ZINC001170780380 820322517 /nfs/dbraw/zinc/32/25/17/820322517.db2.gz GENDBMYOXVTVHO-JOYOIKCWSA-N 2 0 264.329 -0.576 20 0 CBADRP CC[C@@]([NH3+])(CO)Nc1ncnc(C2C[NH2+]C2)c1OC ZINC001170865506 820330411 /nfs/dbraw/zinc/33/04/11/820330411.db2.gz NMEFOKXDGRVECY-LBPRGKRZSA-N 2 0 267.333 -0.359 20 0 CBADRP CN1C(=O)Cc2c1ncnc2N[C@@H]([NH3+])CCC[NH3+] ZINC001170896536 820332346 /nfs/dbraw/zinc/33/23/46/820332346.db2.gz GNHREDWBBJLPGI-MRVPVSSYSA-N 2 0 250.306 -0.569 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1cc(CN2CCNC(=O)C2)ccn1 ZINC001170897325 820332789 /nfs/dbraw/zinc/33/27/89/820332789.db2.gz MPZBXJUMNUCWFC-LBPRGKRZSA-N 2 0 292.387 -0.551 20 0 CBADRP NS(=O)(=O)c1ccc(N[C@@H]([NH3+])CCC[NH3+])nc1F ZINC001170900323 820334391 /nfs/dbraw/zinc/33/43/91/820334391.db2.gz RYFHDMKPGIGSSA-SSDOTTSWSA-N 2 0 277.325 -0.696 20 0 CBADRP Cn1nnc(-c2ccc(N[C@@H]([NH3+])CCC[NH3+])cn2)n1 ZINC001170900209 820334676 /nfs/dbraw/zinc/33/46/76/820334676.db2.gz QKDRLKJEMOTJMP-SNVBAGLBSA-N 2 0 262.321 -0.292 20 0 CBADRP COCCn1cccc(N[C@H]([NH3+])CCC[NH3+])c1=O ZINC001170902455 820336112 /nfs/dbraw/zinc/33/61/12/820336112.db2.gz CNQQKLUNSJOAOG-NSHDSACASA-N 2 0 254.334 -0.070 20 0 CBADRP CCOC(=O)CN(CC[NH3+])c1cnc(C[NH3+])nc1 ZINC001170995494 820342772 /nfs/dbraw/zinc/34/27/72/820342772.db2.gz OBZMXHCEXIUSPB-UHFFFAOYSA-N 2 0 253.306 -0.737 20 0 CBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]Cc1cnon1 ZINC001171204780 820348755 /nfs/dbraw/zinc/34/87/55/820348755.db2.gz GCXAOTFSXNUBMJ-UHFFFAOYSA-N 2 0 285.348 -0.756 20 0 CBADRP Cn1nccc1C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171205120 820349650 /nfs/dbraw/zinc/34/96/50/820349650.db2.gz MDGQUKVDZXWLBT-UHFFFAOYSA-N 2 0 297.403 -0.406 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001171160677 820349915 /nfs/dbraw/zinc/34/99/15/820349915.db2.gz IEQYXAIDNQMYLY-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171227366 820350600 /nfs/dbraw/zinc/35/06/00/820350600.db2.gz OTAVWKCTRXTDGC-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001171228122 820350674 /nfs/dbraw/zinc/35/06/74/820350674.db2.gz SDDBKGCAAFYHAU-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CN1CC[C@H]([NH2+]CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001171227058 820350752 /nfs/dbraw/zinc/35/07/52/820350752.db2.gz MERXTDKAHNRVCA-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001171227030 820351513 /nfs/dbraw/zinc/35/15/13/820351513.db2.gz LVJNEEUXJNYTDH-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP Cn1cnnc1C[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171219154 820351984 /nfs/dbraw/zinc/35/19/84/820351984.db2.gz UPTIBOAXAJMXIF-LBPRGKRZSA-N 2 0 294.403 -0.247 20 0 CBADRP O=C(NCCC[NH2+]CCOCCO)C12CC[NH+](CC1)C2 ZINC001171292935 820356630 /nfs/dbraw/zinc/35/66/30/820356630.db2.gz AXMONLUIDSDSSW-UHFFFAOYSA-N 2 0 285.388 -0.813 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303591 820357107 /nfs/dbraw/zinc/35/71/07/820357107.db2.gz SDBLUYAEXIOIRZ-UHFFFAOYSA-N 2 0 282.388 -0.686 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)c1c[nH+]ccc1N(C)C ZINC001171354378 820359482 /nfs/dbraw/zinc/35/94/82/820359482.db2.gz MFTWLVIJJVIVSV-UHFFFAOYSA-N 2 0 293.371 -0.397 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171576259 820362862 /nfs/dbraw/zinc/36/28/62/820362862.db2.gz UNNCULPESMKQIP-UHFFFAOYSA-N 2 0 272.393 -0.440 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1cn(C)nn1 ZINC001171762631 820368634 /nfs/dbraw/zinc/36/86/34/820368634.db2.gz ISIZQRUIZQQXEQ-UHFFFAOYSA-N 2 0 282.392 -0.247 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]C[C@H](O)COC ZINC001171763331 820368689 /nfs/dbraw/zinc/36/86/89/820368689.db2.gz ZDRWSOCOLYPBNL-LBPRGKRZSA-N 2 0 275.393 -0.569 20 0 CBADRP CCCNC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)CCC ZINC001171762565 820369065 /nfs/dbraw/zinc/36/90/65/820369065.db2.gz GHIMWMHAJGNKHJ-UHFFFAOYSA-N 2 0 286.420 -0.050 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001171762749 820369310 /nfs/dbraw/zinc/36/93/10/820369310.db2.gz JJLINMHYTBHHFY-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001171762351 820369871 /nfs/dbraw/zinc/36/98/71/820369871.db2.gz AGXQMYADKPYHQQ-LBPRGKRZSA-N 2 0 286.420 -0.099 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1nnnn1C ZINC001171757972 820369972 /nfs/dbraw/zinc/36/99/72/820369972.db2.gz RKHQRONDGCXVKO-UHFFFAOYSA-N 2 0 283.380 -0.852 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)N(C)CC ZINC001171758362 820370169 /nfs/dbraw/zinc/37/01/69/820370169.db2.gz ZJMKWCSZNUEDJH-UHFFFAOYSA-N 2 0 286.420 -0.098 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC ZINC001171762993 820370243 /nfs/dbraw/zinc/37/02/43/820370243.db2.gz PKWUCFDGVFVUDO-NSHDSACASA-N 2 0 272.393 -0.441 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1cnnn1C ZINC001171757950 820370837 /nfs/dbraw/zinc/37/08/37/820370837.db2.gz QEJNKUBWLMKINO-UHFFFAOYSA-N 2 0 282.392 -0.247 20 0 CBADRP CN(CC[NH3+])CC[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172014501 820377020 /nfs/dbraw/zinc/37/70/20/820377020.db2.gz XGYYTNQWCBOXPB-LLVKDONJSA-N 2 0 254.378 -0.380 20 0 CBADRP CCN1CC[C@H](NC(=[NH2+])NCCCC[NH3+])CC1=O ZINC001172025623 820378865 /nfs/dbraw/zinc/37/88/65/820378865.db2.gz CNPQNSPUKAXMTP-JTQLQIEISA-N 2 0 255.366 -0.150 20 0 CBADRP COCCC[NH+]1CCC([NH2+]C[C@H]2CNC(=O)CO2)CC1 ZINC001172247201 820391907 /nfs/dbraw/zinc/39/19/07/820391907.db2.gz JUJGFYBOMZDZTB-ZDUSSCGKSA-N 2 0 285.388 -0.408 20 0 CBADRP COCCC[NH+]1CCC(n2nnc(CC[NH3+])n2)CC1 ZINC001172244727 820393962 /nfs/dbraw/zinc/39/39/62/820393962.db2.gz JCIHQTGSXZLXES-UHFFFAOYSA-N 2 0 268.365 -0.152 20 0 CBADRP COC(=O)[C@@H](C[NH3+])C[NH2+]C1CCN(C(=O)OC)CC1 ZINC001172732501 820396517 /nfs/dbraw/zinc/39/65/17/820396517.db2.gz WWQSEBLDWWMDIQ-VIFPVBQESA-N 2 0 273.333 -0.445 20 0 CBADRP CC[NH+](CC)C1CCC([NH2+]C(C(N)=O)C(N)=O)CC1 ZINC001173101633 820398017 /nfs/dbraw/zinc/39/80/17/820398017.db2.gz LZLNEOIRQCKSKQ-UHFFFAOYSA-N 2 0 270.377 -0.432 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH3+])C[C@@H]1C(=O)OC ZINC001173583106 820407557 /nfs/dbraw/zinc/40/75/57/820407557.db2.gz QGKAMPFLXIUTRM-MMWGEVLESA-N 2 0 272.345 -0.088 20 0 CBADRP C[NH+]1CCN(CC[NH2+][C@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173730922 820408629 /nfs/dbraw/zinc/40/86/29/820408629.db2.gz QPEMEAHJLKKOON-UONOGXRCSA-N 2 0 293.419 -0.006 20 0 CBADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173739587 820410102 /nfs/dbraw/zinc/41/01/02/820410102.db2.gz KDIXYTSIVBHPIR-GMTAPVOTSA-N 2 0 282.348 -0.506 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001176102382 820441694 /nfs/dbraw/zinc/44/16/94/820441694.db2.gz FCVMXQPLXCJRDH-SNVBAGLBSA-N 2 0 256.350 -0.948 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176072171 820438936 /nfs/dbraw/zinc/43/89/36/820438936.db2.gz MLWGHAJUBBDFDS-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001176096352 820439623 /nfs/dbraw/zinc/43/96/23/820439623.db2.gz RBPJQHFQOKIJIN-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176095483 820440008 /nfs/dbraw/zinc/44/00/08/820440008.db2.gz COKDKPHZMSZJMB-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP O=C(C[NH+]1CCCC1)NCCC[NH2+]Cc1cnon1 ZINC001176109943 820441744 /nfs/dbraw/zinc/44/17/44/820441744.db2.gz FEPXKQWFTAVCNK-UHFFFAOYSA-N 2 0 267.333 -0.239 20 0 CBADRP Cc1nnc(C[NH2+]CCCNC(=O)C[NH+]2CCCC2)[nH]1 ZINC001176110430 820441893 /nfs/dbraw/zinc/44/18/93/820441893.db2.gz OXZOBXMVCWNCQW-UHFFFAOYSA-N 2 0 280.376 -0.195 20 0 CBADRP O=C(CC[NH+]1CCCCC1)NCCC[NH2+][C@@H]1CCNC1=O ZINC001176930412 820480825 /nfs/dbraw/zinc/48/08/25/820480825.db2.gz JUITVJNADGWGRC-CYBMUJFWSA-N 2 0 296.415 -0.153 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001176930835 820481782 /nfs/dbraw/zinc/48/17/82/820481782.db2.gz RARZRNMMQGFQGF-GFCCVEGCSA-N 2 0 284.404 -0.168 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001176971710 820483918 /nfs/dbraw/zinc/48/39/18/820483918.db2.gz FYQHYBCYHVISPM-SNVBAGLBSA-N 2 0 258.366 -0.704 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176971512 820484164 /nfs/dbraw/zinc/48/41/64/820484164.db2.gz AUXNZPYPCHZBCA-UHFFFAOYSA-N 2 0 258.366 -0.832 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001176986370 820484331 /nfs/dbraw/zinc/48/43/31/820484331.db2.gz LXTLQKDUROQENI-NSHDSACASA-N 2 0 270.377 -0.558 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]Cc1cnnn1C ZINC001176980621 820485050 /nfs/dbraw/zinc/48/50/50/820485050.db2.gz LZHLJSFZISXYAH-UHFFFAOYSA-N 2 0 282.392 -0.249 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001176980670 820485480 /nfs/dbraw/zinc/48/54/80/820485480.db2.gz OGEJDRVYZVGLAW-UHFFFAOYSA-N 2 0 298.391 -0.956 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001176986676 820486649 /nfs/dbraw/zinc/48/66/49/820486649.db2.gz SDFKYPGMRSFRSW-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001176986673 820486814 /nfs/dbraw/zinc/48/68/14/820486814.db2.gz SDFKYPGMRSFRSW-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001178902309 820604034 /nfs/dbraw/zinc/60/40/34/820604034.db2.gz KNVDJWASPFYTAJ-AAEUAGOBSA-N 2 0 296.415 -0.204 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001179008762 820614630 /nfs/dbraw/zinc/61/46/30/820614630.db2.gz RGYCSCGGVZHXON-NSHDSACASA-N 2 0 255.362 -0.083 20 0 CBADRP CC(C)(C)[NH2+]CC(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001179008936 820614956 /nfs/dbraw/zinc/61/49/56/820614956.db2.gz VHEGGQNEASDOPF-JTQLQIEISA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)CCC[NH+](C)C ZINC001179435236 820626936 /nfs/dbraw/zinc/62/69/36/820626936.db2.gz OIRQNURPVOGYLS-RWMBFGLXSA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179486082 820630215 /nfs/dbraw/zinc/63/02/15/820630215.db2.gz HHKSEWFHEPZYOR-SRVKXCTJSA-N 2 0 284.404 -0.348 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179472424 820630661 /nfs/dbraw/zinc/63/06/61/820630661.db2.gz MGFAVQICFCXGGU-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CC(N)=O ZINC001179587126 820634369 /nfs/dbraw/zinc/63/43/69/820634369.db2.gz WIFGLAAZBOBEEB-CHWSQXEVSA-N 2 0 298.431 -0.064 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)[C@@H]1C ZINC001179986880 820646975 /nfs/dbraw/zinc/64/69/75/820646975.db2.gz FPJMGNZYOBWLPL-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C ZINC001179982861 820647628 /nfs/dbraw/zinc/64/76/28/820647628.db2.gz FLGAADXUPBWFNQ-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)[C@@H]1C ZINC001179982713 820647810 /nfs/dbraw/zinc/64/78/10/820647810.db2.gz DHYIPQWKFYXSLE-WOPDTQHZSA-N 2 0 284.404 -0.219 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180131759 820652393 /nfs/dbraw/zinc/65/23/93/820652393.db2.gz KNFZEQSTCQIIHP-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C1=NNC(=O)CC1 ZINC001180262744 820664033 /nfs/dbraw/zinc/66/40/33/820664033.db2.gz IQGVSFJAKWDMHC-UHFFFAOYSA-N 2 0 282.348 -0.684 20 0 CBADRP CNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001180260110 820664335 /nfs/dbraw/zinc/66/43/35/820664335.db2.gz UAVQOJFSZAPPIH-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP NC(=O)C1CC[NH+](CCC(=O)N2CC[N@@H+]3CC[C@@H]3C2)CC1 ZINC001180611323 820699367 /nfs/dbraw/zinc/69/93/67/820699367.db2.gz ZUKVXEXOPZALLB-CYBMUJFWSA-N 2 0 294.399 -0.510 20 0 CBADRP C[NH+](C)CCNC(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180607919 820699568 /nfs/dbraw/zinc/69/95/68/820699568.db2.gz OAXJEVQLOVKNSQ-UHFFFAOYSA-N 2 0 270.377 -0.748 20 0 CBADRP CN1CC[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])CC1=O ZINC001180637121 820703773 /nfs/dbraw/zinc/70/37/73/820703773.db2.gz KHBAMFUMQDVCMT-SECBINFHSA-N 2 0 269.349 -0.684 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CN(C)CCO1 ZINC001180762606 820721816 /nfs/dbraw/zinc/72/18/16/820721816.db2.gz NWONEHFELHGTKW-NSHDSACASA-N 2 0 285.392 -0.619 20 0 CBADRP C[C@@H](C(=O)NCCN1CCC[N@H+](C)CC1)[NH+](C)C ZINC001180864741 820734954 /nfs/dbraw/zinc/73/49/54/820734954.db2.gz GDDCSGCALGMPMQ-LBPRGKRZSA-N 2 0 256.394 -0.310 20 0 CBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H](C)[NH+](C)C)O1 ZINC001180865251 820735205 /nfs/dbraw/zinc/73/52/05/820735205.db2.gz YTCNVQWNJNOKSD-SBFPOUOMSA-N 2 0 273.377 -0.223 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])C(=O)C12CC[NH+](CC1)CC2 ZINC001181544983 820794902 /nfs/dbraw/zinc/79/49/02/820794902.db2.gz BVNYHBOJZQZKQM-UHFFFAOYSA-N 2 0 275.374 -0.781 20 0 CBADRP COCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001181651293 820807393 /nfs/dbraw/zinc/80/73/93/820807393.db2.gz AKJASYLYCNUSGG-ZIAGYGMSSA-N 2 0 299.415 -0.066 20 0 CBADRP C[NH+]1CCC(O)(C(=O)N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)CC1 ZINC001182032772 820856090 /nfs/dbraw/zinc/85/60/90/820856090.db2.gz IWESFODNXYESKG-CHWSQXEVSA-N 2 0 281.400 -0.004 20 0 CBADRP C[NH+]1CCC(O)(C(=O)N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)CC1 ZINC001182032778 820856282 /nfs/dbraw/zinc/85/62/82/820856282.db2.gz IWESFODNXYESKG-STQMWFEESA-N 2 0 281.400 -0.004 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]1NC(=O)c2ccccc21 ZINC001182431031 820915567 /nfs/dbraw/zinc/91/55/67/820915567.db2.gz NJAQDBWSSXBDBQ-LLVKDONJSA-N 2 0 289.339 -0.068 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H]1NC(=O)c2ccccc21 ZINC001182431032 820916143 /nfs/dbraw/zinc/91/61/43/820916143.db2.gz NJAQDBWSSXBDBQ-NSHDSACASA-N 2 0 289.339 -0.068 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676957 820936148 /nfs/dbraw/zinc/93/61/48/820936148.db2.gz SYKHDLUTJVENLX-IJLUTSLNSA-N 2 0 282.388 -0.737 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001183082569 820974378 /nfs/dbraw/zinc/97/43/78/820974378.db2.gz YXDMBZWUPIFVQW-IUODEOHRSA-N 2 0 298.431 -0.112 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183267286 820985655 /nfs/dbraw/zinc/98/56/55/820985655.db2.gz MAAPQEAEMPFYMV-OCCSQVGLSA-N 2 0 296.415 -0.347 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001183289462 820989833 /nfs/dbraw/zinc/98/98/33/820989833.db2.gz YURGNVBOSSFAGZ-TZMCWYRMSA-N 2 0 299.415 -0.332 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](C(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001183372028 820990961 /nfs/dbraw/zinc/99/09/61/820990961.db2.gz SGBCZNJKWRDGQP-DTORHVGOSA-N 2 0 263.363 -0.927 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001183581216 821007880 /nfs/dbraw/zinc/00/78/80/821007880.db2.gz GGORRDXTKKCFCY-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])C(=O)C12CCC[NH+]1CCC2 ZINC001183554317 821008193 /nfs/dbraw/zinc/00/81/93/821008193.db2.gz AGIOMIKSDNARFY-UHFFFAOYSA-N 2 0 275.374 -0.638 20 0 CBADRP CC[C@H]1CCN(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])C1=O ZINC001183673350 821020817 /nfs/dbraw/zinc/02/08/17/821020817.db2.gz JHJJDVXLIFOJSY-JTQLQIEISA-N 2 0 283.376 -0.294 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001183939348 821040971 /nfs/dbraw/zinc/04/09/71/821040971.db2.gz BKYUHXYPVFAWBS-GFCCVEGCSA-N 2 0 294.399 -0.449 20 0 CBADRP Cc1cncn1CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001184301156 821067886 /nfs/dbraw/zinc/06/78/86/821067886.db2.gz KSNNZBDGIYERSU-GFCCVEGCSA-N 2 0 293.371 -0.530 20 0 CBADRP Cc1cncn1CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001184300759 821068103 /nfs/dbraw/zinc/06/81/03/821068103.db2.gz JCSBBHCJIHUPIS-CYBMUJFWSA-N 2 0 296.371 -0.609 20 0 CBADRP CN1C(=O)CC[C@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001184321091 821068332 /nfs/dbraw/zinc/06/83/32/821068332.db2.gz ZVOSEUOQFFPMJG-QMMMGPOBSA-N 2 0 255.322 -0.932 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)CC1 ZINC001185213577 821103231 /nfs/dbraw/zinc/10/32/31/821103231.db2.gz LOKGMPVFTODOQN-CYBMUJFWSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001185213222 821103842 /nfs/dbraw/zinc/10/38/42/821103842.db2.gz JRMFDKJKLXEFRM-WDEREUQCSA-N 2 0 282.388 -0.608 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185229309 821104297 /nfs/dbraw/zinc/10/42/97/821104297.db2.gz AATWAOJRXCBCFU-CHWSQXEVSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001185249425 821111348 /nfs/dbraw/zinc/11/13/48/821111348.db2.gz XCMCBKJXWSPNMM-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)n1ccc(C[NH3+])cc1=N ZINC001185264872 821118885 /nfs/dbraw/zinc/11/88/85/821118885.db2.gz ZZFCIXSUKNKNLF-NSHDSACASA-N 2 0 263.345 -0.688 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001185408218 821129225 /nfs/dbraw/zinc/12/92/25/821129225.db2.gz OMMPUZVSPRZMGR-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001185416143 821129239 /nfs/dbraw/zinc/12/92/39/821129239.db2.gz OSDQRKSPYSCAKO-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@H+](CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001185722814 821139446 /nfs/dbraw/zinc/13/94/46/821139446.db2.gz AFAPOXLIUPDEAG-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001185763294 821139827 /nfs/dbraw/zinc/13/98/27/821139827.db2.gz RYEWTHSHBCWINI-STQMWFEESA-N 2 0 298.431 -0.114 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001185706286 821140480 /nfs/dbraw/zinc/14/04/80/821140480.db2.gz LDKFONCWFIOSNH-MNOVXSKESA-N 2 0 270.377 -0.737 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCO)C1)[NH+](C)C ZINC001185716378 821140610 /nfs/dbraw/zinc/14/06/10/821140610.db2.gz VRUDFASRFSJKBH-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001185763293 821141019 /nfs/dbraw/zinc/14/10/19/821141019.db2.gz RYEWTHSHBCWINI-QWHCGFSZSA-N 2 0 298.431 -0.114 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001186037843 821153114 /nfs/dbraw/zinc/15/31/14/821153114.db2.gz KZDRIOJVJPPTRW-CYBMUJFWSA-N 2 0 269.389 -0.004 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@@H](O)C3)C[C@H]2C1 ZINC001186046007 821159878 /nfs/dbraw/zinc/15/98/78/821159878.db2.gz YBLGJKIBUZMSLF-GRYCIOLGSA-N 2 0 253.346 -0.927 20 0 CBADRP COC(=O)[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C1 ZINC001186107759 821170884 /nfs/dbraw/zinc/17/08/84/821170884.db2.gz RFFSSABQHONWEU-RWMBFGLXSA-N 2 0 295.383 -0.499 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001186824810 821199566 /nfs/dbraw/zinc/19/95/66/821199566.db2.gz MUFFHMMRMVBACY-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001186817316 821199675 /nfs/dbraw/zinc/19/96/75/821199675.db2.gz PREBAUMPIRVQOJ-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001186834085 821200680 /nfs/dbraw/zinc/20/06/80/821200680.db2.gz LGZRZPQSMNEQMK-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP COC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187106343 821211797 /nfs/dbraw/zinc/21/17/97/821211797.db2.gz FDNJVLMORDMZIJ-CHWSQXEVSA-N 2 0 287.404 -0.210 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187121283 821213696 /nfs/dbraw/zinc/21/36/96/821213696.db2.gz GNTUWLHJEPGPEJ-VXGBXAGGSA-N 2 0 273.377 -0.864 20 0 CBADRP C[NH+]1CCC(CC(=O)N(CCO)CC[NH2+]CCO)CC1 ZINC001279848220 828339661 /nfs/dbraw/zinc/33/96/61/828339661.db2.gz PWKRJKKAWMHGBT-UHFFFAOYSA-N 2 0 287.404 -0.879 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+]C[C@H]2CCOC2)C1 ZINC001279900971 828340832 /nfs/dbraw/zinc/34/08/32/828340832.db2.gz BAZBWZOREAGLSL-KGLIPLIRSA-N 2 0 299.415 -0.615 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001280263760 828347879 /nfs/dbraw/zinc/34/78/79/828347879.db2.gz LTFBYYAKLPQQOK-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP COCC[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001280658560 828369107 /nfs/dbraw/zinc/36/91/07/828369107.db2.gz DTEKJVSAAQLDPM-KGLIPLIRSA-N 2 0 299.415 -0.208 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001187276440 822263323 /nfs/dbraw/zinc/26/33/23/822263323.db2.gz JSQZHUSRQQIDNZ-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC)C1 ZINC001187291089 822264157 /nfs/dbraw/zinc/26/41/57/822264157.db2.gz HEAHKPXUXHNQPK-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[N@H+](CC(=O)NC1(C[NH2+]CCO)CCOCC1)C1CCC1 ZINC001281238929 828408947 /nfs/dbraw/zinc/40/89/47/828408947.db2.gz IYYFBUKJTSDCHM-UHFFFAOYSA-N 2 0 299.415 -0.282 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001187329320 822269224 /nfs/dbraw/zinc/26/92/24/822269224.db2.gz PLLXIDFRJZKVOV-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187834470 822297412 /nfs/dbraw/zinc/29/74/12/822297412.db2.gz DCYHTPWACQIEPL-GFCCVEGCSA-N 2 0 282.388 -0.639 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187843138 822300039 /nfs/dbraw/zinc/30/00/39/822300039.db2.gz VDBJNEBKVXCLIX-OLZOCXBDSA-N 2 0 285.388 -0.720 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+](C)C[C@H](C)O ZINC001282478401 828448803 /nfs/dbraw/zinc/44/88/03/828448803.db2.gz QJQFBYRZFBUCGE-NEPJUHHUSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[C@H](C(=O)NCCNC(=O)C1CC[NH+](C)CC1)[NH+](C)C ZINC001283084980 828495673 /nfs/dbraw/zinc/49/56/73/828495673.db2.gz BAVNCVJPEKVSLB-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001283102556 828496645 /nfs/dbraw/zinc/49/66/45/828496645.db2.gz SXYLRYUXZJENJV-JHJVBQTASA-N 2 0 269.389 -0.053 20 0 CBADRP CNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001283147823 828500385 /nfs/dbraw/zinc/50/03/85/828500385.db2.gz YIHXWJKJZOGJBA-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](CCC[NH2+]CCO)NC(=O)C[NH+]1CCCC1 ZINC001283278113 828511944 /nfs/dbraw/zinc/51/19/44/828511944.db2.gz IKROTHKUPMPZII-LBPRGKRZSA-N 2 0 257.378 -0.051 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CCCF)CC[N@@H+]1C ZINC001283759178 828544300 /nfs/dbraw/zinc/54/43/00/828544300.db2.gz FMFBVKCDKNAURG-GRYCIOLGSA-N 2 0 275.368 -0.247 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCO)[C@H]1C ZINC001283925861 828561047 /nfs/dbraw/zinc/56/10/47/828561047.db2.gz UKQWGBXYCAWXOK-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ccc(=O)n(C)n1 ZINC001189501536 823764826 /nfs/dbraw/zinc/76/48/26/823764826.db2.gz HURRKKLMHSYLIT-UHFFFAOYSA-N 2 0 294.359 -0.542 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189810780 823776017 /nfs/dbraw/zinc/77/60/17/823776017.db2.gz HATJJVJTCIKGMU-MELADBBJSA-N 2 0 299.415 -0.522 20 0 CBADRP CN(C)c1cncc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])n1 ZINC001190733650 823843020 /nfs/dbraw/zinc/84/30/20/823843020.db2.gz HASDPQZHCYXVTC-UHFFFAOYSA-N 2 0 279.348 -0.383 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ncon1 ZINC001192036195 823941284 /nfs/dbraw/zinc/94/12/84/823941284.db2.gz WEASPOCPGJLFEP-UHFFFAOYSA-N 2 0 254.294 -0.253 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC001192045938 823944016 /nfs/dbraw/zinc/94/40/16/823944016.db2.gz ITCCTMZOHNSWDT-GFCCVEGCSA-N 2 0 257.378 -0.147 20 0 CBADRP COC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192161637 823952503 /nfs/dbraw/zinc/95/25/03/823952503.db2.gz JLSUILWDJZVUPD-QWHCGFSZSA-N 2 0 287.404 -0.522 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCNC2=O)C1 ZINC001192160836 823953583 /nfs/dbraw/zinc/95/35/83/823953583.db2.gz FMDYXWAYDDOFSA-NEPJUHHUSA-N 2 0 282.388 -0.641 20 0 CBADRP CN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001192169886 823955133 /nfs/dbraw/zinc/95/51/33/823955133.db2.gz FDZLKOIMUYMHTB-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192172156 823955539 /nfs/dbraw/zinc/95/55/39/823955539.db2.gz ZQWXMYDOERPPOT-NEPJUHHUSA-N 2 0 257.378 -0.148 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@H](N(C)CC(N)=O)C1 ZINC001192958932 823993878 /nfs/dbraw/zinc/99/38/78/823993878.db2.gz HBXKJCIQYNKQAR-NSHDSACASA-N 2 0 270.377 -0.654 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)CC(N)=O)C1 ZINC001193289829 824018588 /nfs/dbraw/zinc/01/85/88/824018588.db2.gz ABZRLZWULQYAKK-NSHDSACASA-N 2 0 270.377 -0.654 20 0 CBADRP COc1ccnc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c1O ZINC001193543335 824032491 /nfs/dbraw/zinc/03/24/91/824032491.db2.gz SGALFIFCSQAPRD-UHFFFAOYSA-N 2 0 281.316 -0.130 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@H]2CCNC2=O)C1 ZINC001193630156 824040732 /nfs/dbraw/zinc/04/07/32/824040732.db2.gz GBBHGRSCPSPHGL-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP Cc1nc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c(=O)[nH]c1C ZINC001193976576 824055170 /nfs/dbraw/zinc/05/51/70/824055170.db2.gz XDUDXESLYCKJRF-UHFFFAOYSA-N 2 0 280.332 -0.539 20 0 CBADRP CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194002610 824055428 /nfs/dbraw/zinc/05/54/28/824055428.db2.gz VLBRPWMWLNSUFW-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP CNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194001952 824055502 /nfs/dbraw/zinc/05/55/02/824055502.db2.gz LKZJQUSIRRTDHG-NWDGAFQWSA-N 2 0 282.388 -0.783 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@H](C)C(N)=O)C1 ZINC001194285967 824068050 /nfs/dbraw/zinc/06/80/50/824068050.db2.gz VWJOVTITGVHHON-VXGBXAGGSA-N 2 0 284.404 -0.267 20 0 CBADRP COc1cc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])n(C)n1 ZINC001194749036 824087869 /nfs/dbraw/zinc/08/78/69/824087869.db2.gz OVVAURLQSWSKMH-UHFFFAOYSA-N 2 0 268.321 -0.497 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCCF)C[C@H]2O)CC1 ZINC001195662060 824128343 /nfs/dbraw/zinc/12/83/43/824128343.db2.gz XPEUUPKYJMRIQC-VXGBXAGGSA-N 2 0 287.379 -0.151 20 0 CBADRP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677141 824128544 /nfs/dbraw/zinc/12/85/44/824128544.db2.gz NGBZQQXLXZIMKA-VXGBXAGGSA-N 2 0 285.388 -0.864 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001195859570 824133744 /nfs/dbraw/zinc/13/37/44/824133744.db2.gz LFAIWKYBIZCDFP-GHMZBOCLSA-N 2 0 261.341 -0.541 20 0 CBADRP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O)[NH+](C)C ZINC001195981239 824140351 /nfs/dbraw/zinc/14/03/51/824140351.db2.gz QHMONWKOGXAHNH-JHJVBQTASA-N 2 0 287.404 -0.884 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1O)[NH+](C)C ZINC001196251616 824155050 /nfs/dbraw/zinc/15/50/50/824155050.db2.gz MPSWIYGBIOOQGE-GRYCIOLGSA-N 2 0 257.378 -0.104 20 0 CBADRP C[C@H](C(N)=O)N1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196963555 824173699 /nfs/dbraw/zinc/17/36/99/824173699.db2.gz VUUJSPJCCWUSOW-GFCCVEGCSA-N 2 0 284.404 -0.264 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001197050138 824177010 /nfs/dbraw/zinc/17/70/10/824177010.db2.gz YGAFIUOEPOHAEG-BFHYXJOUSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O ZINC001197826410 824202867 /nfs/dbraw/zinc/20/28/67/824202867.db2.gz VZPMWXCYHPLYIF-ZIAGYGMSSA-N 2 0 299.415 -0.474 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CCCN(CC(=O)NC)CC1 ZINC001197907980 824208857 /nfs/dbraw/zinc/20/88/57/824208857.db2.gz NKMRUSGIOSDTLS-UHFFFAOYSA-N 2 0 298.431 -0.001 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197954994 824211102 /nfs/dbraw/zinc/21/11/02/824211102.db2.gz JKKBFYQCRDQHPU-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCC)C[C@H]1O ZINC001198048069 824216446 /nfs/dbraw/zinc/21/64/46/824216446.db2.gz RXWSASGXRNIYBV-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[NH+](CCOCCO)CC2)C1 ZINC001198098155 824218453 /nfs/dbraw/zinc/21/84/53/824218453.db2.gz PMICYDDGQQCWPJ-AWEZNQCLSA-N 2 0 299.415 -0.519 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023339 824246580 /nfs/dbraw/zinc/24/65/80/824246580.db2.gz FSJOJYAYIBUNMF-MGPQQGTHSA-N 2 0 299.415 -0.596 20 0 CBADRP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199064385 824247649 /nfs/dbraw/zinc/24/76/49/824247649.db2.gz HYJNUFHVXYZUNV-ZIAGYGMSSA-N 2 0 299.415 -0.330 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@H]1O ZINC001199096799 824248135 /nfs/dbraw/zinc/24/81/35/824248135.db2.gz SWVLOJCQQKUVQQ-BFHYXJOUSA-N 2 0 299.415 -0.476 20 0 CBADRP COC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC001199943255 824296423 /nfs/dbraw/zinc/29/64/23/824296423.db2.gz GOZBNXMDGKIWSA-TZMCWYRMSA-N 2 0 299.415 -0.068 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CCO)C1)C1CC1 ZINC001200696172 824324535 /nfs/dbraw/zinc/32/45/35/824324535.db2.gz JIFGAQRZCYYKEO-UONOGXRCSA-N 2 0 299.415 -0.474 20 0 CBADRP CNC(=O)[C@@H](C)N1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001284960560 828636913 /nfs/dbraw/zinc/63/69/13/828636913.db2.gz VPEYSYHTPQXCCJ-GFCCVEGCSA-N 2 0 296.415 -0.179 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCCO[C@H](C[NH2+]CCO)C2)CC1 ZINC001201259574 824329986 /nfs/dbraw/zinc/32/99/86/824329986.db2.gz BUJBANLPIRTLBJ-CYBMUJFWSA-N 2 0 299.415 -0.472 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201259895 824330426 /nfs/dbraw/zinc/33/04/26/824330426.db2.gz DZJFAEWZASSHNX-ZDUSSCGKSA-N 2 0 287.404 -0.472 20 0 CBADRP CC[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201863372 824337884 /nfs/dbraw/zinc/33/78/84/824337884.db2.gz LTOHGGFVFDACOA-CYBMUJFWSA-N 2 0 287.404 -0.208 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC001202316181 824346665 /nfs/dbraw/zinc/34/66/65/824346665.db2.gz PRFUNTNOUXDHNW-UHFFFAOYSA-N 2 0 256.350 -0.996 20 0 CBADRP CN(C)C(=O)C[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202316151 824346749 /nfs/dbraw/zinc/34/67/49/824346749.db2.gz OBQOCWWDJKJUMO-UHFFFAOYSA-N 2 0 284.404 -0.393 20 0 CBADRP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cn1ccnn1 ZINC001202748373 824351307 /nfs/dbraw/zinc/35/13/07/824351307.db2.gz ABJTVCZPEYUFED-YNEHKIRRSA-N 2 0 265.361 -0.145 20 0 CBADRP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cn1ccnn1 ZINC001202748369 824351499 /nfs/dbraw/zinc/35/14/99/824351499.db2.gz ABJTVCZPEYUFED-JHJVBQTASA-N 2 0 265.361 -0.145 20 0 CBADRP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCC(=O)N2)CCC1=O ZINC001202876917 824353208 /nfs/dbraw/zinc/35/32/08/824353208.db2.gz BWNMJKIUTCMLTL-GFCCVEGCSA-N 2 0 282.388 -0.639 20 0 CBADRP C[N@H+](CCN1CC[NH+](C)CC1)C[C@@H]1CCC(=O)N1 ZINC001202878712 824353632 /nfs/dbraw/zinc/35/36/32/824353632.db2.gz RTASGHJLHDVZRU-LBPRGKRZSA-N 2 0 254.378 -0.556 20 0 CBADRP CN(C)CC(=O)N[C@@H]1CCC[N@H+](C[C@@H]2CCC(=O)N2)C1 ZINC001202902371 824354692 /nfs/dbraw/zinc/35/46/92/824354692.db2.gz HXMTUMJVBGNJDT-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CNC(=O)C[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001203348971 824361538 /nfs/dbraw/zinc/36/15/38/824361538.db2.gz FGKLROUALRNMGH-UHFFFAOYSA-N 2 0 294.399 -0.591 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]CCOCCO)CC2)C1 ZINC001203699953 824362952 /nfs/dbraw/zinc/36/29/52/824362952.db2.gz YLDKNGCDDAZHLE-CYBMUJFWSA-N 2 0 299.415 -0.472 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203791237 824363263 /nfs/dbraw/zinc/36/32/63/824363263.db2.gz FOZVYBUUADLKTA-RYUDHWBXSA-N 2 0 296.415 -0.171 20 0 CBADRP Cn1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c(=O)n(C)c1=O ZINC001205116786 824374304 /nfs/dbraw/zinc/37/43/04/824374304.db2.gz IFDLMOIOEGZMBJ-LLVKDONJSA-N 2 0 266.345 -0.603 20 0 CBADRP N[C@H]1NC(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)=CS1 ZINC001205209382 824375556 /nfs/dbraw/zinc/37/55/56/824375556.db2.gz IZGJCKSZKYJHRQ-QWRGUYRKSA-N 2 0 258.391 -0.418 20 0 CBADRP CC1(C)NC[C@@H](C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)O1 ZINC001205209780 824375667 /nfs/dbraw/zinc/37/56/67/824375667.db2.gz LECJQIVPYKVYER-AAEUAGOBSA-N 2 0 257.378 -0.113 20 0 CBADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc(=O)[nH]n2)CC1 ZINC001205242211 824376411 /nfs/dbraw/zinc/37/64/11/824376411.db2.gz XSBIEKDLFPOQIT-LBPRGKRZSA-N 2 0 252.318 -0.142 20 0 CBADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cnc3n2CC[NH2+]CC3)CC1 ZINC001205220569 824376552 /nfs/dbraw/zinc/37/65/52/824376552.db2.gz LNKWBIRQEHQCDO-OAHLLOKOSA-N 3 0 293.415 -0.296 20 0 CBADRP [NH3+]C[C@@]1(O)CCC[N@H+](CC2C(=O)N=CNC2=O)CC1 ZINC001205230698 824376853 /nfs/dbraw/zinc/37/68/53/824376853.db2.gz UEEJWSXARNDIEI-GFCCVEGCSA-N 2 0 268.317 -0.437 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCC(C[NH2+]CC(N)=O)CC2)CC1 ZINC001206061504 824391803 /nfs/dbraw/zinc/39/18/03/824391803.db2.gz KOYLCMMTHMBMED-UHFFFAOYSA-N 2 0 296.415 -0.358 20 0 CBADRP CC[C@@H](C(=O)N1CCC(C[NH2+]CC(N)=O)CC1)[NH+](C)C ZINC001206300888 824395609 /nfs/dbraw/zinc/39/56/09/824395609.db2.gz FWQQJYIOTVJATQ-LBPRGKRZSA-N 2 0 284.404 -0.360 20 0 CBADRP NC(=O)C[NH2+]CC1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001206401990 824398665 /nfs/dbraw/zinc/39/86/65/824398665.db2.gz JLBIXXRDWOFGBM-UHFFFAOYSA-N 2 0 279.344 -0.734 20 0 CBADRP CC(=O)N1CCC[C@H](C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001206512583 824401660 /nfs/dbraw/zinc/40/16/60/824401660.db2.gz PWVFTHPAVSFCHQ-AGIUHOORSA-N 2 0 255.362 -0.504 20 0 CBADRP C[C@H]1CNCC(F)(F)[C@@H]1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206511806 824401965 /nfs/dbraw/zinc/40/19/65/824401965.db2.gz CCNQUQABKPVGPQ-MMWGEVLESA-N 2 0 263.332 -0.271 20 0 CBADRP [NH3+]C[C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)nc2)C[C@@H]1O ZINC001206534831 824402724 /nfs/dbraw/zinc/40/27/24/824402724.db2.gz DYORVBKWTAGFAS-KBPBESRZSA-N 2 0 291.399 -0.757 20 0 CBADRP Cn1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c(=O)n(C)c1=O ZINC001206633085 824404555 /nfs/dbraw/zinc/40/45/55/824404555.db2.gz SQZZUZJSPWIFEC-LLVKDONJSA-N 2 0 280.372 -0.355 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC(C[NH2+]CCO)CC1 ZINC001206929192 824413406 /nfs/dbraw/zinc/41/34/06/824413406.db2.gz YCKOFKIZJRLIDJ-UHFFFAOYSA-N 2 0 269.389 -0.097 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207684269 824433893 /nfs/dbraw/zinc/43/38/93/824433893.db2.gz LYZANHRNYADXIW-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001208337297 824451098 /nfs/dbraw/zinc/45/10/98/824451098.db2.gz IWLKKJMFMQYGAT-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001208373312 824452248 /nfs/dbraw/zinc/45/22/48/824452248.db2.gz HYCILFFLXMHZGC-JSGCOSHPSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495917 824454003 /nfs/dbraw/zinc/45/40/03/824454003.db2.gz CUQABQIQBGKPJQ-IJLUTSLNSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496305 824455349 /nfs/dbraw/zinc/45/53/49/824455349.db2.gz PDDRKICTNZHFET-CHWSQXEVSA-N 2 0 294.403 -0.334 20 0 CBADRP C[N@H+](C1CN(CCN2CCOCC2)C1)[C@H]1CCOC1 ZINC001209294818 824467946 /nfs/dbraw/zinc/46/79/46/824467946.db2.gz IGMXRSQEUNLUAW-ZDUSSCGKSA-N 2 0 269.389 -0.277 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001209323982 824468432 /nfs/dbraw/zinc/46/84/32/824468432.db2.gz NRMNYCADZKPNEX-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001209322919 824468935 /nfs/dbraw/zinc/46/89/35/824468935.db2.gz BORMYRMSPDFPLZ-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001209420224 824471296 /nfs/dbraw/zinc/47/12/96/824471296.db2.gz SRHDXWHPCOIUMW-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001209484383 824472054 /nfs/dbraw/zinc/47/20/54/824472054.db2.gz HYCILFFLXMHZGC-TZMCWYRMSA-N 2 0 298.431 -0.101 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209454978 824472106 /nfs/dbraw/zinc/47/21/06/824472106.db2.gz QFKIXURGVGENEV-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001209641336 824474305 /nfs/dbraw/zinc/47/43/05/824474305.db2.gz IPWRGQLMTDITFK-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001210217517 824478035 /nfs/dbraw/zinc/47/80/35/824478035.db2.gz JRYHDLGDZZFZHX-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210674445 824480532 /nfs/dbraw/zinc/48/05/32/824480532.db2.gz WHFJKNUTPNAJEN-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210674134 824480609 /nfs/dbraw/zinc/48/06/09/824480609.db2.gz NWTZIMXEAMSHGJ-LBPRGKRZSA-N 2 0 294.399 -0.591 20 0 CBADRP NC(=O)C[NH2+][C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211229288 824483802 /nfs/dbraw/zinc/48/38/02/824483802.db2.gz SGRRMOBAUQIMIR-ZDUSSCGKSA-N 2 0 296.415 -0.072 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1OC)[NH+](C)C ZINC001212455765 824508202 /nfs/dbraw/zinc/50/82/02/824508202.db2.gz VURJXCQXBROOBJ-JHJVBQTASA-N 2 0 287.404 -0.212 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCOCCO ZINC001214335662 824528837 /nfs/dbraw/zinc/52/88/37/824528837.db2.gz FMDISISHKZFSFS-MCIONIFRSA-N 2 0 299.415 -0.474 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001214904971 824537201 /nfs/dbraw/zinc/53/72/01/824537201.db2.gz SEBKKLMRHYSGGY-BZPMIXESSA-N 2 0 298.431 -0.245 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215421775 824542225 /nfs/dbraw/zinc/54/22/25/824542225.db2.gz LNKVWXCKKIWLDX-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001215463426 824542404 /nfs/dbraw/zinc/54/24/04/824542404.db2.gz WOAXACOHECJBQL-FRRDWIJNSA-N 2 0 296.415 -0.395 20 0 CBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001215994322 824545119 /nfs/dbraw/zinc/54/51/19/824545119.db2.gz ZZUHUJVVONDCQX-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1 ZINC001216515965 824548169 /nfs/dbraw/zinc/54/81/69/824548169.db2.gz WDVPAEXMZZFWSE-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP C1[NH2+]CC12C[NH2+]C[C@H]2c1nnc([C@@H]2CCOC2)o1 ZINC001217705022 824558131 /nfs/dbraw/zinc/55/81/31/824558131.db2.gz YHRWGPLZIUHCIT-BDAKNGLRSA-N 2 0 250.302 -0.150 20 0 CBADRP C(O[C@H]1CC[NH2+]C1)[C@@H]1CC[C@]2(C[NH2+]CCOC2)O1 ZINC001217824473 824562146 /nfs/dbraw/zinc/56/21/46/824562146.db2.gz BYWAGSLPTPMURP-RWMBFGLXSA-N 2 0 256.346 -0.098 20 0 CBADRP C(OC[C@H]1C[NH2+]CCO1)[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217822091 824562569 /nfs/dbraw/zinc/56/25/69/824562569.db2.gz KGXBENBJLBDTGN-LPWJVIDDSA-N 2 0 256.346 -0.242 20 0 CBADRP NC(=O)[C@@H]([NH3+])Cc1ccc(O[C@H]2C=CC[NH2+]C2)cc1 ZINC001218332734 824566466 /nfs/dbraw/zinc/56/64/66/824566466.db2.gz AVYZAJAWGRPROJ-STQMWFEESA-N 2 0 261.325 -0.052 20 0 CBADRP Cc1cnc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)nc1C ZINC001218498229 824569980 /nfs/dbraw/zinc/56/99/80/824569980.db2.gz WULUCEPLNRZDSL-JTQLQIEISA-N 2 0 261.329 -0.159 20 0 CBADRP C[NH+]1CCN(c2ccc(NC(=O)C[C@H](O)C[NH3+])nc2)CC1 ZINC001218516194 824579145 /nfs/dbraw/zinc/57/91/45/824579145.db2.gz UWCSDIVJEQJTSA-LBPRGKRZSA-N 2 0 293.371 -0.518 20 0 CBADRP COc1ccnc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001218528797 824584445 /nfs/dbraw/zinc/58/44/45/824584445.db2.gz SORUQSSFGAAMOR-JTQLQIEISA-N 2 0 262.313 -0.162 20 0 CBADRP Cn1nc2c(c1NC(=O)[C@@H]([NH3+])CSCC[NH3+])CCC2 ZINC001218527757 824584705 /nfs/dbraw/zinc/58/47/05/824584705.db2.gz JQLKHAOXLPURAK-VIFPVBQESA-N 2 0 283.401 -0.134 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218534860 824585063 /nfs/dbraw/zinc/58/50/63/824585063.db2.gz YRBPKOZPTSTPKV-NKWVEPMBSA-N 2 0 270.358 -0.393 20 0 CBADRP [NH3+][C@@H]1CCc2nc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)sc2C1 ZINC001218532378 824585184 /nfs/dbraw/zinc/58/51/84/824585184.db2.gz GAVGGOYKKANZIW-ZXFLCMHBSA-N 2 0 282.369 -0.380 20 0 CBADRP N=c1scc(N)n1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218542691 824588151 /nfs/dbraw/zinc/58/81/51/824588151.db2.gz ZEUSJVVJANCHHC-RDDDGLTNSA-N 2 0 267.358 -0.549 20 0 CBADRP Cc1nc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)cc(=O)[nH]1 ZINC001218565362 824593443 /nfs/dbraw/zinc/59/34/43/824593443.db2.gz VEWBQWKJSITYNO-NSHDSACASA-N 2 0 265.317 -0.244 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1ncnn2cccc12 ZINC001218565814 824594885 /nfs/dbraw/zinc/59/48/85/824594885.db2.gz XILSVSRZHLQAPD-VIFPVBQESA-N 2 0 262.317 -0.454 20 0 CBADRP COC(=O)c1cc(C)cnc1NC(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001218578548 824597645 /nfs/dbraw/zinc/59/76/45/824597645.db2.gz KZWVZHNRKGEGSV-SCZZXKLOSA-N 2 0 278.312 -0.196 20 0 CBADRP COc1ncc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)cn1 ZINC001218590289 824600014 /nfs/dbraw/zinc/60/00/14/824600014.db2.gz NMZJTNURHOHPLT-NOZJJQNGSA-N 2 0 277.328 -0.377 20 0 CBADRP COc1ncc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cn1 ZINC001218594038 824601300 /nfs/dbraw/zinc/60/13/00/824601300.db2.gz RLZOQVOEPXEHSS-NSHDSACASA-N 2 0 294.359 -0.826 20 0 CBADRP Cn1ncc2cc(NC(=O)[C@H]([NH3+])CCC[NH3+])cnc21 ZINC001218614153 824602889 /nfs/dbraw/zinc/60/28/89/824602889.db2.gz DQNUBBNGUAURHZ-SNVBAGLBSA-N 2 0 262.317 -0.027 20 0 CBADRP O=C(Nc1cnc2n[nH]cc2c1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218614748 824602951 /nfs/dbraw/zinc/60/29/51/824602951.db2.gz NQWYLIYYOWFYRV-SNVBAGLBSA-N 2 0 272.312 -0.295 20 0 CBADRP CC(=O)Nc1cc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])ncn1 ZINC001218609979 824603492 /nfs/dbraw/zinc/60/34/92/824603492.db2.gz LXQVLFNFSVTGMI-VIFPVBQESA-N 2 0 280.332 -0.170 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1nccnc1C(N)=O ZINC001218617763 824604284 /nfs/dbraw/zinc/60/42/84/824604284.db2.gz KUJNDLCSBVNLSH-VIFPVBQESA-N 2 0 294.359 -0.427 20 0 CBADRP Cn1ncc2cc(NC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)cnc21 ZINC001218615179 824604502 /nfs/dbraw/zinc/60/45/02/824604502.db2.gz MCAUDTXJHFMTLK-LLVKDONJSA-N 2 0 286.339 -0.284 20 0 CBADRP Cn1ncc2cc(NC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)cnc21 ZINC001218615180 824604656 /nfs/dbraw/zinc/60/46/56/824604656.db2.gz MCAUDTXJHFMTLK-NSHDSACASA-N 2 0 286.339 -0.284 20 0 CBADRP NC(=O)c1nccnc1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001218617897 824604888 /nfs/dbraw/zinc/60/48/88/824604888.db2.gz MOPLAVDZPJJFEC-QMMMGPOBSA-N 2 0 280.332 -0.640 20 0 CBADRP CCOc1cnc(NC(=O)[C@@H]([NH3+])CCC[NH3+])cn1 ZINC001218620388 824605840 /nfs/dbraw/zinc/60/58/40/824605840.db2.gz LNWZZVGBWNDXOG-QMMMGPOBSA-N 2 0 253.306 -0.120 20 0 CBADRP O=C(Nc1ccnc2c1CCC2)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218621285 824605936 /nfs/dbraw/zinc/60/59/36/824605936.db2.gz QRARDJXRWWWMGK-LLVKDONJSA-N 2 0 272.352 -0.260 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1csc(N2CCOCC2)n1 ZINC001218623131 824606651 /nfs/dbraw/zinc/60/66/51/824606651.db2.gz ZYQVYTHNQCMAGY-VIFPVBQESA-N 2 0 299.400 -0.016 20 0 CBADRP Cn1cc(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)nn1 ZINC001218628681 824608791 /nfs/dbraw/zinc/60/87/91/824608791.db2.gz MBYVTZQRWRHSCD-SECBINFHSA-N 2 0 264.333 -0.372 20 0 CBADRP Cn1cc(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)nn1 ZINC001218628425 824609045 /nfs/dbraw/zinc/60/90/45/824609045.db2.gz IITRQCRXSKGWCL-VIFPVBQESA-N 2 0 254.338 -0.187 20 0 CBADRP COc1nccc(N)c1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218632062 824610208 /nfs/dbraw/zinc/61/02/08/824610208.db2.gz OBVIVZANGHPVTG-MRVPVSSYSA-N 2 0 253.306 -0.323 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1cn[nH]c(=O)c1Cl ZINC001218634621 824610407 /nfs/dbraw/zinc/61/04/07/824610407.db2.gz XWGLXMWMEQAXIP-YFKPBYRVSA-N 2 0 259.697 -0.160 20 0 CBADRP NC1(C(=O)Nc2cnn(C3C[NH2+]C3)c2)CC[NH2+]CC1 ZINC001218639729 824612783 /nfs/dbraw/zinc/61/27/83/824612783.db2.gz BCLJTFIGVLRARW-UHFFFAOYSA-N 2 0 264.333 -0.953 20 0 CBADRP [NH3+][C@H](C(=O)Nc1cnn(C2C[NH2+]C2)c1)C1CC[NH2+]CC1 ZINC001218640577 824612908 /nfs/dbraw/zinc/61/29/08/824612908.db2.gz KARDXJOPIAQFCT-LBPRGKRZSA-N 3 0 278.360 -0.707 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640528 824612920 /nfs/dbraw/zinc/61/29/20/824612920.db2.gz JAYCEECNSFYZHY-APBUJDDRSA-N 2 0 285.373 -0.938 20 0 CBADRP Cc1c[nH]c(=O)cc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218651993 824615388 /nfs/dbraw/zinc/61/53/88/824615388.db2.gz SMLABIJVANZWIW-VIFPVBQESA-N 2 0 262.313 -0.157 20 0 CBADRP Nc1ncc(Cl)nc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218652628 824615515 /nfs/dbraw/zinc/61/55/15/824615515.db2.gz MJNVMYHYWCHNLI-JMCQJSRRSA-N 2 0 296.762 -0.150 20 0 CBADRP Nc1cc[nH]c(=O)c1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218678389 824620642 /nfs/dbraw/zinc/62/06/42/824620642.db2.gz IXINQVKUCJUVGQ-QMMMGPOBSA-N 2 0 253.306 -0.236 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)Nc1cncc(C[NH3+])c1 ZINC001218704438 824626324 /nfs/dbraw/zinc/62/63/24/824626324.db2.gz RAZVPZNVJSBKNW-LBPRGKRZSA-N 2 0 274.328 -0.218 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1 ZINC001218710228 824626428 /nfs/dbraw/zinc/62/64/28/824626428.db2.gz GOANDIZQJFEPPA-YUMQZZPRSA-N 2 0 254.290 -0.253 20 0 CBADRP N[C@@]1(C(=O)Nc2cc([C@H]3CCC[NH2+]3)no2)CC[NH2+]C1 ZINC001218714293 824627577 /nfs/dbraw/zinc/62/75/77/824627577.db2.gz XIJSROYOUFYSRK-PELKAZGASA-N 2 0 265.317 -0.272 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)Nc1cc([C@H]2CCC[NH2+]2)no1 ZINC001218710815 824627887 /nfs/dbraw/zinc/62/78/87/824627887.db2.gz IPHWFVIYWFZMKJ-JGVFFNPUSA-N 2 0 253.306 -0.286 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1 ZINC001218710818 824627932 /nfs/dbraw/zinc/62/79/32/824627932.db2.gz IPHWFVIYWFZMKJ-YUMQZZPRSA-N 2 0 253.306 -0.286 20 0 CBADRP O=C(Nc1cc([C@@H]2CCC[NH2+]2)no1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001218713601 824627994 /nfs/dbraw/zinc/62/79/94/824627994.db2.gz SWCYAYDOGUWGEF-FSZOTQKASA-N 2 0 291.355 -0.013 20 0 CBADRP Cc1cc(=O)c(N)c(C)n1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218718963 824628969 /nfs/dbraw/zinc/62/89/69/824628969.db2.gz ULLWAMLGURXPMC-SECBINFHSA-N 2 0 252.318 -0.246 20 0 CBADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001218728220 824629080 /nfs/dbraw/zinc/62/90/80/824629080.db2.gz URXQHFWGGCAYCU-TUAOUCFPSA-N 2 0 292.339 -0.516 20 0 CBADRP CCN(C)c1ncc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cn1 ZINC001218741720 824631289 /nfs/dbraw/zinc/63/12/89/824631289.db2.gz ZSIYXSNPPWZPRC-NSHDSACASA-N 2 0 290.371 -0.320 20 0 CBADRP CN=c1c(N)cc(Cl)nn1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218742605 824631797 /nfs/dbraw/zinc/63/17/97/824631797.db2.gz IKPIQPOLAGGAML-ZETCQYMHSA-N 2 0 296.762 -0.902 20 0 CBADRP CN=c1c(N)cc(Cl)nn1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218742600 824632097 /nfs/dbraw/zinc/63/20/97/824632097.db2.gz IKPIQPOLAGGAML-SSDOTTSWSA-N 2 0 296.762 -0.902 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1cncc(N2CCOCC2)c1 ZINC001218746879 824633301 /nfs/dbraw/zinc/63/33/01/824633301.db2.gz QFPZGGHHZQKEQT-CYBMUJFWSA-N 2 0 293.371 -0.077 20 0 CBADRP CNC(=O)c1cccnc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218764221 824636118 /nfs/dbraw/zinc/63/61/18/824636118.db2.gz NUNPUDWSJGIVMU-SECBINFHSA-N 2 0 265.317 -0.554 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)Nc1cnc2nccn2c1 ZINC001218786249 824637141 /nfs/dbraw/zinc/63/71/41/824637141.db2.gz XZGLFVXVXJALFA-JTQLQIEISA-N 2 0 271.284 -0.039 20 0 CBADRP [NH3+][C@H](C(=O)Nc1cnn2c1OCCC2)C1CC[NH2+]CC1 ZINC001218793991 824640525 /nfs/dbraw/zinc/64/05/25/824640525.db2.gz JUOSNCNCNMIUMC-NSHDSACASA-N 2 0 279.344 -0.069 20 0 CBADRP O=C(Nc1cnn2c1OCCC2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218794227 824640839 /nfs/dbraw/zinc/64/08/39/824640839.db2.gz OBXRLMVNFCPENB-QMTHXVAHSA-N 2 0 291.355 -0.197 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC001218856867 824642589 /nfs/dbraw/zinc/64/25/89/824642589.db2.gz UCDPVVYVORUDTM-SECBINFHSA-N 2 0 275.316 -0.129 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC001218856876 824643650 /nfs/dbraw/zinc/64/36/50/824643650.db2.gz UCDPVVYVORUDTM-VIFPVBQESA-N 2 0 275.316 -0.129 20 0 CBADRP O=C(Nc1ccc2n[nH]nc2c1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218878120 824644540 /nfs/dbraw/zinc/64/45/40/824644540.db2.gz ZTRAPQWZTUFXIK-VIFPVBQESA-N 2 0 272.312 -0.295 20 0 CBADRP Cn1nnc2cc(NC(=O)[C@@H]([NH3+])CCC[NH3+])ccc21 ZINC001218879463 824645972 /nfs/dbraw/zinc/64/59/72/824645972.db2.gz XFPFPWUBNSYJNL-VIFPVBQESA-N 2 0 262.317 -0.027 20 0 CBADRP Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218912319 824647158 /nfs/dbraw/zinc/64/71/58/824647158.db2.gz ALNLCULKNXBXSW-NSHDSACASA-N 2 0 288.351 -0.159 20 0 CBADRP CCC[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218966191 824650076 /nfs/dbraw/zinc/65/00/76/824650076.db2.gz XPKXEGXSUJMEKM-UONOGXRCSA-N 2 0 299.415 -0.114 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001219029892 824653836 /nfs/dbraw/zinc/65/38/36/824653836.db2.gz SIGKDHZZQHOSAR-RYUDHWBXSA-N 2 0 276.340 -0.346 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC001219028325 824654439 /nfs/dbraw/zinc/65/44/39/824654439.db2.gz ZUUWLXYYTBOJOZ-PWSUYJOCSA-N 2 0 276.340 -0.204 20 0 CBADRP O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219116435 824664913 /nfs/dbraw/zinc/66/49/13/824664913.db2.gz MZRRNHJGTFASOA-KBPBESRZSA-N 2 0 290.367 -0.243 20 0 CBADRP O=C(Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2)[C@@H]1C[NH2+]CCN1 ZINC001219537324 824723399 /nfs/dbraw/zinc/72/33/99/824723399.db2.gz KZCFOMATUSEBNO-XHVZSJERSA-N 2 0 288.351 -0.366 20 0 CBADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)[C@H]1C[NH2+]C[C@@H]1O ZINC001219536940 824724083 /nfs/dbraw/zinc/72/40/83/824724083.db2.gz GWRXZUXBIVWOCA-PKCZLINISA-N 2 0 289.335 -0.347 20 0 CBADRP O=C(Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219537924 824725245 /nfs/dbraw/zinc/72/52/45/824725245.db2.gz RNLLCOKYHNXHNV-LKAMGYQZSA-N 2 0 289.335 -0.204 20 0 CBADRP C[NH+](C)CCNC(=O)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219553915 824728138 /nfs/dbraw/zinc/72/81/38/824728138.db2.gz QPBOFACZEPHUFO-STQMWFEESA-N 2 0 268.405 -0.262 20 0 CBADRP [NH3+][C@@H](C(=O)NCCn1ccnc1)C1CC[NH2+]CC1 ZINC001219563707 824731452 /nfs/dbraw/zinc/73/14/52/824731452.db2.gz IZZHPIPRUJTRHQ-LLVKDONJSA-N 2 0 251.334 -0.674 20 0 CBADRP [NH3+][C@@H](C(=O)NCCN1CCCCC1=O)C1CC[NH2+]CC1 ZINC001219569578 824732511 /nfs/dbraw/zinc/73/25/11/824732511.db2.gz XFGXSEIDQNRNPM-CYBMUJFWSA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C[NH2+]1 ZINC001219582907 824735574 /nfs/dbraw/zinc/73/55/74/824735574.db2.gz NUFQSTOBUNEDHA-SRRSOLGSSA-N 2 0 252.362 -0.805 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@H]([NH3+])CCCNC(N)=O)C[NH2+]1 ZINC001219582332 824736116 /nfs/dbraw/zinc/73/61/16/824736116.db2.gz BHQHSNJLOBJUTJ-LPEHRKFASA-N 2 0 271.365 -0.981 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C[NH2+]1 ZINC001219582908 824736238 /nfs/dbraw/zinc/73/62/38/824736238.db2.gz NUFQSTOBUNEDHA-ZPFDUUQYSA-N 2 0 252.362 -0.805 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)C[C@]2(O)CCC[NH2+]C2)C[NH2+]1 ZINC001219582319 824736605 /nfs/dbraw/zinc/73/66/05/824736605.db2.gz AVOPDQDHGHYIDV-GMXVVIOVSA-N 2 0 255.362 -0.252 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])C(=O)C[C@H]1CCC[NH2+]C1 ZINC001219595682 824738669 /nfs/dbraw/zinc/73/86/69/824738669.db2.gz KPOXEUHMUHGMEI-SECBINFHSA-N 2 0 263.363 -0.877 20 0 CBADRP Cc1ncc(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)s1 ZINC001219595520 824738676 /nfs/dbraw/zinc/73/86/76/824738676.db2.gz DKIIWASUKBWWNH-SNVBAGLBSA-N 2 0 266.370 -0.123 20 0 CBADRP CC(C)[C@@]1(C(=O)N(CC[NH3+])S(C)(=O)=O)CCC[NH2+]C1 ZINC001219595750 824738737 /nfs/dbraw/zinc/73/87/37/824738737.db2.gz NVZRBMGWRVAPFC-GFCCVEGCSA-N 2 0 291.417 -0.241 20 0 CBADRP Cc1ccnc(CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)n1 ZINC001219600396 824740598 /nfs/dbraw/zinc/74/05/98/824740598.db2.gz RUQXPTPHFCTBNM-BXUZGUMPSA-N 2 0 275.356 -0.400 20 0 CBADRP CC(F)(F)CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219601668 824742221 /nfs/dbraw/zinc/74/22/21/824742221.db2.gz WGPHKOGIHYKDMM-SECBINFHSA-N 2 0 264.320 -0.492 20 0 CBADRP Cc1nocc1CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219607910 824852960 /nfs/dbraw/zinc/85/29/60/824852960.db2.gz GZBSUGNHTRSKMI-GFCCVEGCSA-N 2 0 281.360 -0.650 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219608089 824853349 /nfs/dbraw/zinc/85/33/49/824853349.db2.gz OOMGWLOMNBQYDF-SCZZXKLOSA-N 2 0 291.277 -0.310 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219610087 824853968 /nfs/dbraw/zinc/85/39/68/824853968.db2.gz KVTUFURSRKEGLE-SECBINFHSA-N 3 0 268.283 -0.665 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219609641 824854076 /nfs/dbraw/zinc/85/40/76/824854076.db2.gz ATSTYJQDWGYELT-HTRCEHHLSA-N 2 0 255.240 -0.893 20 0 CBADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219610818 824854537 /nfs/dbraw/zinc/85/45/37/824854537.db2.gz RZSZEUQHAQIVNU-LDYMZIIASA-N 3 0 292.305 -0.794 20 0 CBADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219610412 824855006 /nfs/dbraw/zinc/85/50/06/824855006.db2.gz NLBAYXGYJDCKEC-WYOJIJJFSA-N 2 0 292.305 -0.653 20 0 CBADRP N[C@]1(C(=O)N[C@@]2(C(F)(F)F)CC[NH2+]C2)CCC[NH2+]C1 ZINC001219610260 824855113 /nfs/dbraw/zinc/85/51/13/824855113.db2.gz MCESONJHNJUCMR-ZJUUUORDSA-N 2 0 280.294 -0.522 20 0 CBADRP C[C@H](C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)[NH+]1CCCC1 ZINC001219617061 824856179 /nfs/dbraw/zinc/85/61/79/824856179.db2.gz HJSHPMDYVRFDCH-NTZNESFSSA-N 2 0 273.352 -0.351 20 0 CBADRP CCCC[C@H]([NH2+]C)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219616773 824856376 /nfs/dbraw/zinc/85/63/76/824856376.db2.gz CPYLASIORLKYEP-GMXVVIOVSA-N 2 0 275.368 -0.057 20 0 CBADRP C[NH+]1CCC(CC(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC1 ZINC001219616025 824856476 /nfs/dbraw/zinc/85/64/76/824856476.db2.gz MKLAPUBNXNBINR-GXTWGEPZSA-N 2 0 287.379 -0.103 20 0 CBADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617668 824857098 /nfs/dbraw/zinc/85/70/98/824857098.db2.gz ODDBFQPLWABBPY-MPPDQPJWSA-N 2 0 273.352 -0.447 20 0 CBADRP [NH3+][C@H](CC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)C1CC1 ZINC001219619232 824858933 /nfs/dbraw/zinc/85/89/33/824858933.db2.gz CSQKBXVKCRILFI-JFGNBEQYSA-N 2 0 259.325 -0.708 20 0 CBADRP CC(C)C[C@@](C)([NH3+])C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219619412 824858873 /nfs/dbraw/zinc/85/88/73/824858873.db2.gz HLKQLVFHHIBWQD-CYZMBNFOSA-N 2 0 275.368 -0.071 20 0 CBADRP C[C@@]1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CCC[NH2+]1 ZINC001219618214 824859559 /nfs/dbraw/zinc/85/95/59/824859559.db2.gz YWOOWZCOSJPWTB-ZMLRMANQSA-N 2 0 259.325 -0.693 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219619440 824859756 /nfs/dbraw/zinc/85/97/56/824859756.db2.gz IEOOKODCANLRIA-SRRSOLGSSA-N 2 0 273.352 -0.495 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617909 824859964 /nfs/dbraw/zinc/85/99/64/824859964.db2.gz QFRRAUHHDQIZBE-GMXVVIOVSA-N 2 0 273.352 -0.445 20 0 CBADRP [NH3+]CC1CCC(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC1 ZINC001219620167 824861777 /nfs/dbraw/zinc/86/17/77/824861777.db2.gz XJXJCLXFOSFSSU-CXHDDBMJSA-N 2 0 287.379 -0.070 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001219622547 824862050 /nfs/dbraw/zinc/86/20/50/824862050.db2.gz XAGYDRVYDUUZCP-FYLLDIAZSA-N 2 0 277.315 -0.887 20 0 CBADRP O=C(C[C@H]1CCCC[NH2+]1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219622107 824862200 /nfs/dbraw/zinc/86/22/00/824862200.db2.gz MQHBJZMCDRLFOL-NTZNESFSSA-N 2 0 273.352 -0.303 20 0 CBADRP CC(C)C[C@H](CO)NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001219631038 824865272 /nfs/dbraw/zinc/86/52/72/824865272.db2.gz QAXMSBORVDMZDS-NEPJUHHUSA-N 2 0 257.378 -0.164 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCN1CCCCO1 ZINC001219632124 824866159 /nfs/dbraw/zinc/86/61/59/824866159.db2.gz IJCFSVOAKFPRMY-LBPRGKRZSA-N 2 0 272.393 -0.153 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2C[NH2+]CCCO2)C1 ZINC001219641637 824869726 /nfs/dbraw/zinc/86/97/26/824869726.db2.gz JRIKRHZUMLKJBK-WOPDTQHZSA-N 2 0 255.362 -0.273 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2C[NH2+]C[C@@H](O)C2)C1 ZINC001219641655 824870070 /nfs/dbraw/zinc/87/00/70/824870070.db2.gz JWKCBXDXFOLQLI-QCNOEVLYSA-N 2 0 255.362 -0.681 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219642044 824870450 /nfs/dbraw/zinc/87/04/50/824870450.db2.gz OLOBAYFGYWTMET-LSJOCFKGSA-N 2 0 257.334 -0.761 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])Cc2cncn2C)C1 ZINC001219640874 824870475 /nfs/dbraw/zinc/87/04/75/824870475.db2.gz CMIUTWXUVXLVAZ-WZRBSPASSA-N 2 0 279.388 -0.348 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219645512 824871092 /nfs/dbraw/zinc/87/10/92/824871092.db2.gz LHKXFUNYXYMVTF-UPJWGTAASA-N 2 0 298.431 -0.162 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[NH2+]CCC2=O)C1 ZINC001219645357 824871810 /nfs/dbraw/zinc/87/18/10/824871810.db2.gz KTXIHMKNRBMXSI-HBNTYKKESA-N 2 0 253.346 -0.473 20 0 CBADRP CCOC(=O)C1(C(=O)NC[C@H]2C[NH2+]C[C@@H](C)C2)C[NH2+]C1 ZINC001219645876 824871941 /nfs/dbraw/zinc/87/19/41/824871941.db2.gz NHPRRQMCIDERFZ-WDEREUQCSA-N 2 0 283.372 -0.499 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC001219651416 824874354 /nfs/dbraw/zinc/87/43/54/824874354.db2.gz VLHOULDEMXUUMY-SDDRHHMPSA-N 2 0 255.362 -0.273 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219651606 824874741 /nfs/dbraw/zinc/87/47/41/824874741.db2.gz WPEGJOFHUNRIOL-YVECIDJPSA-N 2 0 297.399 -0.253 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001219651676 824875435 /nfs/dbraw/zinc/87/54/35/824875435.db2.gz XKONCHSHMXAEJK-DCAQKATOSA-N 3 0 274.434 -0.633 20 0 CBADRP CN1CCO[C@H](CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001219695772 824880741 /nfs/dbraw/zinc/88/07/41/824880741.db2.gz YAVXKSMSMADVPK-OLZOCXBDSA-N 2 0 296.415 -0.693 20 0 CBADRP CN1CCO[C@H](CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001219695260 824881024 /nfs/dbraw/zinc/88/10/24/824881024.db2.gz SOEXQBXRVQWPMD-NWDGAFQWSA-N 2 0 272.393 -0.720 20 0 CBADRP COc1cccc(C[C@H]([NH3+])C(=O)NCCC2(O)C[NH2+]C2)c1 ZINC001219697750 824881139 /nfs/dbraw/zinc/88/11/39/824881139.db2.gz XOVYFJTYUDJOIJ-ZDUSSCGKSA-N 2 0 293.367 -0.594 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@@H]1CN(C)CCO1 ZINC001219694193 824881284 /nfs/dbraw/zinc/88/12/84/824881284.db2.gz GUKWOLJIPFLREJ-NEPJUHHUSA-N 2 0 272.393 -0.850 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCC(=O)N(C)C1CC1 ZINC001219692989 824882044 /nfs/dbraw/zinc/88/20/44/824882044.db2.gz LFZWFEPSDHKCCM-LBPRGKRZSA-N 2 0 284.404 -0.170 20 0 CBADRP Nc1nc(=O)[nH]cc1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001219700725 824883698 /nfs/dbraw/zinc/88/36/98/824883698.db2.gz CBQYBRLKDBKVDX-ZETCQYMHSA-N 2 0 268.321 -0.451 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219736184 824886123 /nfs/dbraw/zinc/88/61/23/824886123.db2.gz BPNHKIOVRYHMDK-NWDGAFQWSA-N 2 0 267.373 -0.129 20 0 CBADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC001219720043 824886156 /nfs/dbraw/zinc/88/61/56/824886156.db2.gz FELSXDFDJWOPLZ-YNEHKIRRSA-N 2 0 261.325 -0.457 20 0 CBADRP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720368 824886656 /nfs/dbraw/zinc/88/66/56/824886656.db2.gz KELIBDULNSNIIV-UTINFBMNSA-N 2 0 259.350 -0.640 20 0 CBADRP [NH3+][C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720864 824886796 /nfs/dbraw/zinc/88/67/96/824886796.db2.gz TXJWXMFBBSXKMF-SDDRHHMPSA-N 2 0 265.313 -0.896 20 0 CBADRP O=C(CC1CC[NH2+]CC1)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737243 824887740 /nfs/dbraw/zinc/88/77/40/824887740.db2.gz RAYSIPJJADWENB-GFCCVEGCSA-N 2 0 267.373 -0.129 20 0 CBADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001219739214 824888291 /nfs/dbraw/zinc/88/82/91/824888291.db2.gz JJRLXFFSYABHHU-AXFHLTTASA-N 2 0 271.336 -0.571 20 0 CBADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)C1CC[NH2+]CC1 ZINC001219736626 824888739 /nfs/dbraw/zinc/88/87/39/824888739.db2.gz DUCXVLRJUJSYGN-NSHDSACASA-N 2 0 253.346 -0.519 20 0 CBADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764679 824890329 /nfs/dbraw/zinc/89/03/29/824890329.db2.gz JUZLIRNCOHAEGF-MQYQWHSLSA-N 2 0 280.416 -0.216 20 0 CBADRP Nc1nc(=O)c(F)cn1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001219741920 824890567 /nfs/dbraw/zinc/89/05/67/824890567.db2.gz XRPYDXMGDHUMQX-QMMMGPOBSA-N 2 0 269.280 -0.826 20 0 CBADRP N[C@@]1(C(=O)NC[C@H]2CCC3(CC[NH2+]CC3)O2)CC[NH2+]C1 ZINC001219743551 824890573 /nfs/dbraw/zinc/89/05/73/824890573.db2.gz GSLPZYIADVASRM-RISCZKNCSA-N 2 0 282.388 -0.905 20 0 CBADRP N[C@]1(C(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)O2)CC[NH2+]C1 ZINC001219743552 824890621 /nfs/dbraw/zinc/89/06/21/824890621.db2.gz GSLPZYIADVASRM-SMDDNHRTSA-N 2 0 282.388 -0.905 20 0 CBADRP N[C@]1(C(=O)NC[C@]2(F)CCC[NH2+]C2)CCC[NH2+]C1 ZINC001219768954 824891384 /nfs/dbraw/zinc/89/13/84/824891384.db2.gz RJTQZEBCUWNWQT-NWDGAFQWSA-N 2 0 258.341 -0.725 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219772813 824891604 /nfs/dbraw/zinc/89/16/04/824891604.db2.gz ASCVBCILQTXNHV-GFCCVEGCSA-N 3 0 278.400 -0.556 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764681 824891719 /nfs/dbraw/zinc/89/17/19/824891719.db2.gz JUZLIRNCOHAEGF-YIYPIFLZSA-N 2 0 280.416 -0.216 20 0 CBADRP [NH3+][C@@H](CC1CCC1)C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765987 824891753 /nfs/dbraw/zinc/89/17/53/824891753.db2.gz KGMZALHHUVNGSW-RDBSUJKOSA-N 2 0 280.416 -0.086 20 0 CBADRP O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219767766 824891929 /nfs/dbraw/zinc/89/19/29/824891929.db2.gz DVNNXXMRSSOCPW-MEWQQHAOSA-N 2 0 270.352 -0.856 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777165 824892864 /nfs/dbraw/zinc/89/28/64/824892864.db2.gz ASYKAYUPKZZSRQ-NSHDSACASA-N 3 0 286.445 -0.346 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219774741 824892874 /nfs/dbraw/zinc/89/28/74/824892874.db2.gz AWICNAXPMLMILP-GHMZBOCLSA-N 2 0 253.346 -0.642 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1C[NH2+]C[C@@H](O)C1 ZINC001219773469 824893170 /nfs/dbraw/zinc/89/31/70/824893170.db2.gz UAQFRTIRUGGHJM-PWSUYJOCSA-N 2 0 267.373 -0.395 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)NC2CC3(C2)CC[NH2+]CC3)C1 ZINC001219777838 824893531 /nfs/dbraw/zinc/89/35/31/824893531.db2.gz RXFANAPPGTVFBN-ONGXEEELSA-N 2 0 252.362 -0.676 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1C[NH2+]CC[C@@H]1O ZINC001219773424 824893757 /nfs/dbraw/zinc/89/37/57/824893757.db2.gz RTSVCIZGCXMTON-RYUDHWBXSA-N 2 0 267.373 -0.395 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001219773311 824893822 /nfs/dbraw/zinc/89/38/22/824893822.db2.gz QFOSBIPCPRFVFF-LBPRGKRZSA-N 2 0 292.383 -0.887 20 0 CBADRP [NH3+][C@@H]1COC[C@@H]1C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219779714 824894305 /nfs/dbraw/zinc/89/43/05/824894305.db2.gz LPMWCTNSBKKSAZ-WDEREUQCSA-N 2 0 253.346 -0.392 20 0 CBADRP C[C@]1(C(=O)NCC[C@H]2CCOC23C[NH2+]C3)CC[NH2+]C1 ZINC001219803507 824895131 /nfs/dbraw/zinc/89/51/31/824895131.db2.gz WCPLBCMOQIJZGE-AAEUAGOBSA-N 2 0 267.373 -0.129 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800423 824895246 /nfs/dbraw/zinc/89/52/46/824895246.db2.gz JRIHUGLTXPMTIL-NWDGAFQWSA-N 2 0 283.372 -0.750 20 0 CBADRP COCCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804288 824895507 /nfs/dbraw/zinc/89/55/07/824895507.db2.gz RGLVKSGRXWGINH-RDBSUJKOSA-N 2 0 299.415 -0.476 20 0 CBADRP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802457 824895880 /nfs/dbraw/zinc/89/58/80/824895880.db2.gz PASIFUMQWNYQAZ-TUAOUCFPSA-N 2 0 285.388 -0.987 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)N[C@@H]2CC[NH2+][C@H]2c2ccccc2)C1 ZINC001219818804 824897451 /nfs/dbraw/zinc/89/74/51/824897451.db2.gz OABZPJNMLROWBP-CRWXNKLISA-N 2 0 274.368 -0.105 20 0 CBADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CC[NH2+]C[C@H]1F ZINC001219814828 824897490 /nfs/dbraw/zinc/89/74/90/824897490.db2.gz NDAJYTBGRPAXNG-WGBDABJCSA-N 2 0 271.336 -0.714 20 0 CBADRP COCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219813933 824897794 /nfs/dbraw/zinc/89/77/94/824897794.db2.gz LOXFUBNHQDPVME-KGLIPLIRSA-N 2 0 299.415 -0.332 20 0 CBADRP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@H]1C[NH2+]C[C@@H]1O ZINC001219818799 824897933 /nfs/dbraw/zinc/89/79/33/824897933.db2.gz NYSMBVCOGRTGLH-CRWXNKLISA-N 2 0 275.352 -0.214 20 0 CBADRP C[N@H+](CC(=O)N[C@@H]1CN(CCF)C[C@@H]1O)C1CCC1 ZINC001219813739 824898204 /nfs/dbraw/zinc/89/82/04/824898204.db2.gz BPNYOHIIEJKTHF-NEPJUHHUSA-N 2 0 273.352 -0.399 20 0 CBADRP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219825835 824899214 /nfs/dbraw/zinc/89/92/14/824899214.db2.gz NAQQVNHDJNFTEI-BBBLOLIVSA-N 2 0 267.354 -0.411 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831670 824899706 /nfs/dbraw/zinc/89/97/06/824899706.db2.gz TWGIXVFCJXRCLS-HXFLIBJXSA-N 2 0 263.288 -0.538 20 0 CBADRP N[C@]1(C(=O)N[C@@H]2C[NH2+]Cc3ccsc32)CC[NH2+]C1 ZINC001219825332 824899859 /nfs/dbraw/zinc/89/98/59/824899859.db2.gz HOQWNNMMUKLQBD-BXKDBHETSA-N 2 0 266.370 -0.301 20 0 CBADRP O=C(N[C@H]1C[NH2+]Cc2ccsc21)[C@H]1[NH2+]CC[C@H]1O ZINC001219827044 824900192 /nfs/dbraw/zinc/90/01/92/824900192.db2.gz YIFBIOZJZCNWLP-AEJSXWLSSA-N 2 0 267.354 -0.269 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831782 824900441 /nfs/dbraw/zinc/90/04/41/824900441.db2.gz YDAJSTDMMUUQFC-OOCWMUITSA-N 2 0 253.346 -0.393 20 0 CBADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@H]1CC[NH2+]C[C@H]1F ZINC001219847310 824901051 /nfs/dbraw/zinc/90/10/51/824901051.db2.gz CQBBSIDVSMAUPS-LDMBFOFVSA-N 2 0 271.336 -0.430 20 0 CBADRP C[NH2+]CCC(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837999 824901102 /nfs/dbraw/zinc/90/11/02/824901102.db2.gz NLSBGVUMAFWEOX-WCQYABFASA-N 2 0 271.361 -0.893 20 0 CBADRP O=C(C=C1CC[NH2+]CC1)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219848092 824901149 /nfs/dbraw/zinc/90/11/49/824901149.db2.gz WKLUTVAFBOSVCL-SGMGOOAPSA-N 2 0 265.357 -0.068 20 0 CBADRP [NH3+][C@H]1CC[C@@H]1C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838333 824901490 /nfs/dbraw/zinc/90/14/90/824901490.db2.gz PFFOBTYFORHATJ-OWTLIXCDSA-N 2 0 283.372 -0.765 20 0 CBADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001219854714 824902559 /nfs/dbraw/zinc/90/25/59/824902559.db2.gz QVXGBAPQPYSZGR-HPENLJRUSA-N 2 0 257.309 -0.821 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219851673 824902732 /nfs/dbraw/zinc/90/27/32/824902732.db2.gz AFRCLKSOKJQIQD-QNWHQSFQSA-N 2 0 283.372 -0.894 20 0 CBADRP [NH3+][C@@H](C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)c1ccccc1 ZINC001219854428 824902948 /nfs/dbraw/zinc/90/29/48/824902948.db2.gz ILRMNQKXRGKDEN-YVECIDJPSA-N 2 0 261.325 -0.211 20 0 CBADRP CC[C@H](C)[C@@H]([NH3+])CC(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854640 824903293 /nfs/dbraw/zinc/90/32/93/824903293.db2.gz OCJQVFCZCAMVFI-KZZRWZIVSA-N 2 0 255.362 -0.147 20 0 CBADRP CC[C@@]1(C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CCC[NH2+]C1 ZINC001219854126 824903320 /nfs/dbraw/zinc/90/33/20/824903320.db2.gz DJQJBEMZIOCSJQ-GFQSEFKGSA-N 2 0 267.373 -0.131 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001219872555 824905709 /nfs/dbraw/zinc/90/57/09/824905709.db2.gz MEQZVLSMVZAMPB-CQSZACIVSA-N 2 0 288.395 -0.217 20 0 CBADRP Cn1cc2c(n1)[C@@H](CNC(=O)[C@H]([NH3+])CCC[NH3+])OCC2 ZINC001219885145 824909261 /nfs/dbraw/zinc/90/92/61/824909261.db2.gz IRFGFXPRCRMGJW-GHMZBOCLSA-N 2 0 281.360 -0.784 20 0 CBADRP CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001219882809 824909863 /nfs/dbraw/zinc/90/98/63/824909863.db2.gz NVAOLBXVKNWHKR-LPEHRKFASA-N 2 0 263.407 -0.471 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001219916174 824913258 /nfs/dbraw/zinc/91/32/58/824913258.db2.gz MQGDSSAGVXKLOI-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C[NH+](C)C ZINC001219916042 824913801 /nfs/dbraw/zinc/91/38/01/824913801.db2.gz IUVUFZPMTAVRNX-JQWIXIFHSA-N 2 0 272.393 -0.314 20 0 CBADRP C[NH+](C)CCCCCNC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001219921815 824915023 /nfs/dbraw/zinc/91/50/23/824915023.db2.gz ZGDRFIIEUWGTRJ-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001219918716 824915072 /nfs/dbraw/zinc/91/50/72/824915072.db2.gz PYKUGCIGNJOTGZ-JSGCOSHPSA-N 2 0 285.388 -0.767 20 0 CBADRP C[NH+](C)CCCCCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219918436 824915370 /nfs/dbraw/zinc/91/53/70/824915370.db2.gz LXIXWYDDZYWDEU-GFCCVEGCSA-N 3 0 268.405 -0.357 20 0 CBADRP C[NH+](C)CCCCCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219920212 824915527 /nfs/dbraw/zinc/91/55/27/824915527.db2.gz BMPAEZYFLNHSAE-CQSZACIVSA-N 3 0 299.463 -0.415 20 0 CBADRP C[NH+](C)CCCCCNC(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001219921828 824915554 /nfs/dbraw/zinc/91/55/54/824915554.db2.gz ZQJHRQJCICWXQZ-BBATYDOGSA-N 2 0 277.434 -0.070 20 0 CBADRP O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219954259 824920759 /nfs/dbraw/zinc/92/07/59/824920759.db2.gz FCRMRCFOSGMHMZ-OLZOCXBDSA-N 2 0 269.389 -0.005 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)CC1 ZINC001219954918 824921651 /nfs/dbraw/zinc/92/16/51/824921651.db2.gz YHQPYYUNQUVWMG-PWSUYJOCSA-N 2 0 254.378 -0.334 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@H]2[NH2+]CC[C@@H]2O)CC1 ZINC001219954726 824922369 /nfs/dbraw/zinc/92/23/69/824922369.db2.gz PDAHFYPQYOXUEA-RYUDHWBXSA-N 2 0 255.362 -0.300 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCCCc1c[nH][nH]c1=O ZINC001219970334 824925810 /nfs/dbraw/zinc/92/58/10/824925810.db2.gz YKMFZVIOAOFJBY-ZJUUUORDSA-N 2 0 269.349 -0.929 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCn1cccc1 ZINC001219972842 824926446 /nfs/dbraw/zinc/92/64/46/824926446.db2.gz XJZFXMOLVRKCAH-CYBMUJFWSA-N 2 0 279.388 -0.645 20 0 CBADRP COC(=O)[C@H](CCSC)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220079771 824951614 /nfs/dbraw/zinc/95/16/14/824951614.db2.gz ZTWOFIOIPMAGMC-UWVGGRQHSA-N 2 0 291.417 -0.146 20 0 CBADRP COC(=O)C1(NC(=O)C[C@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC001220001539 824931133 /nfs/dbraw/zinc/93/11/33/824931133.db2.gz RUYNTPUGRDENJR-LLVKDONJSA-N 2 0 283.372 -0.213 20 0 CBADRP COC(=O)C1(NC(=O)CC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001219999064 824931356 /nfs/dbraw/zinc/93/13/56/824931356.db2.gz JKPWOYHEMMTFHX-UHFFFAOYSA-N 2 0 283.372 -0.213 20 0 CBADRP COC(=O)C1(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC[NH2+]CC1 ZINC001219999508 824931451 /nfs/dbraw/zinc/93/14/51/824931451.db2.gz VWEDPFDGQDNQGM-GHMZBOCLSA-N 2 0 283.372 -0.214 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001220020514 824936488 /nfs/dbraw/zinc/93/64/88/824936488.db2.gz LKSGHBGDZHZQHT-ZDUSSCGKSA-N 2 0 293.367 -0.547 20 0 CBADRP N=c1sc2c(n1C(=O)[C@@H]([NH3+])CCC[NH3+])CC[C@H]([NH3+])C2 ZINC001220023358 824937345 /nfs/dbraw/zinc/93/73/45/824937345.db2.gz WBTKQVYLNPNTOX-YUMQZZPRSA-N 3 0 283.401 -0.449 20 0 CBADRP N=c1sc2c(n1C(=O)[C@H]([NH3+])CCC[NH3+])CC[C@H]([NH3+])C2 ZINC001220023357 824937857 /nfs/dbraw/zinc/93/78/57/824937857.db2.gz WBTKQVYLNPNTOX-JGVFFNPUSA-N 3 0 283.401 -0.449 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1ccc[nH]1 ZINC001220032983 824938880 /nfs/dbraw/zinc/93/88/80/824938880.db2.gz GPUQMUDJSJQLCM-LBPRGKRZSA-N 2 0 265.361 -0.619 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001220043431 824942264 /nfs/dbraw/zinc/94/22/64/824942264.db2.gz REHVVYHVRHWJAY-UWVGGRQHSA-N 2 0 267.308 -0.140 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001220043061 824942402 /nfs/dbraw/zinc/94/24/02/824942402.db2.gz CXICPQJBBBUWIU-ZJUUUORDSA-N 2 0 267.308 -0.283 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)n1ccc(C[NH3+])cc1=N ZINC001220045178 824942406 /nfs/dbraw/zinc/94/24/06/824942406.db2.gz OQIRSXPFYPZGFR-NSHDSACASA-N 2 0 293.371 -0.444 20 0 CBADRP N=c1cc(C[NH3+])ccn1C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001220045368 824943497 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C[NH2+]CCNC(=O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O ZINC001220060122 824947135 /nfs/dbraw/zinc/94/71/35/824947135.db2.gz JNXGKRGNFAJPOW-STQMWFEESA-N 2 0 288.351 -0.565 20 0 CBADRP C[NH2+]CCNC(=O)c1cncc(N2CC[NH+](C)CC2)c1 ZINC001220057426 824947326 /nfs/dbraw/zinc/94/73/26/824947326.db2.gz NFKQMMSWVWTRRI-UHFFFAOYSA-N 2 0 277.372 -0.217 20 0 CBADRP Cc1nc(N)ccc1CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220071487 824950537 /nfs/dbraw/zinc/95/05/37/824950537.db2.gz GCCWEYPMXFYKKV-CYBMUJFWSA-N 2 0 277.372 -0.085 20 0 CBADRP O=C(N[C@@H]1CCC[C@@H]1O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220099557 824954707 /nfs/dbraw/zinc/95/47/07/824954707.db2.gz RZECSRYKTVKZSH-WOPDTQHZSA-N 2 0 267.373 -0.110 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001220103160 824954735 /nfs/dbraw/zinc/95/47/35/824954735.db2.gz JBVAENHFULUINE-BDAKNGLRSA-N 3 0 259.329 -0.605 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H](N)Cc1cccc(O)c1 ZINC001220103301 824955220 /nfs/dbraw/zinc/95/52/20/824955220.db2.gz NNENAVSSIWKXCO-LBPRGKRZSA-N 2 0 293.371 -0.277 20 0 CBADRP NC(=[NH2+])N(C(=O)[C@@]1(N)CC[NH2+]C1)c1ccccc1F ZINC001220106540 824956491 /nfs/dbraw/zinc/95/64/91/824956491.db2.gz RCPNHANZDAFVPY-GFCCVEGCSA-N 2 0 265.292 -0.257 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@H](O)c1ccc(O)cc1)C1CC[NH2+]CC1 ZINC001220113331 824958892 /nfs/dbraw/zinc/95/88/92/824958892.db2.gz QLTAXJGWXGAYLT-KBPBESRZSA-N 2 0 293.367 -0.131 20 0 CBADRP Cc1cnc(=O)[nH]c1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220122988 824960423 /nfs/dbraw/zinc/96/04/23/824960423.db2.gz QRNBEJKIPWKHJG-NOZJJQNGSA-N 2 0 277.328 -0.372 20 0 CBADRP O=C(NCc1cccc(F)n1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220124952 824961260 /nfs/dbraw/zinc/96/12/60/824961260.db2.gz RLJWBRJRPOMXJU-JTQLQIEISA-N 2 0 264.304 -0.354 20 0 CBADRP [NH3+][C@@H](C(=O)NCC1(F)CCOCC1)C1CC[NH2+]CC1 ZINC001220136986 824963504 /nfs/dbraw/zinc/96/35/04/824963504.db2.gz NCPKVMQBPZLBLE-LLVKDONJSA-N 2 0 273.352 -0.052 20 0 CBADRP C[C@@]1(O)C[C@H](NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001220150104 824969087 /nfs/dbraw/zinc/96/90/87/824969087.db2.gz QKLRLSIRFKRBEA-WZRBSPASSA-N 2 0 267.373 -0.110 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)C1 ZINC001220149906 824970020 /nfs/dbraw/zinc/97/00/20/824970020.db2.gz HONLSQSBBDJOFC-FQUUOJAGSA-N 2 0 280.416 -0.086 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220163705 824974247 /nfs/dbraw/zinc/97/42/47/824974247.db2.gz UEFLTJVCXOZKAD-HIFRSBDPSA-N 2 0 280.416 -0.070 20 0 CBADRP N[C@]1(C(=O)N[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC001220162551 824974354 /nfs/dbraw/zinc/97/43/54/824974354.db2.gz KCTLXQHGLFDEGK-MRVWCRGKSA-N 2 0 266.389 -0.284 20 0 CBADRP [NH3+]CCNCC(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220161630 824974430 /nfs/dbraw/zinc/97/44/30/824974430.db2.gz DOIOXIFQHCAQOI-DGCLKSJQSA-N 2 0 254.378 -0.427 20 0 CBADRP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1C[NH2+]CCN1 ZINC001220163460 824975276 /nfs/dbraw/zinc/97/52/76/824975276.db2.gz RBLQKTAOTWZKRJ-BZPMIXESSA-N 2 0 266.389 -0.414 20 0 CBADRP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220161401 824975308 /nfs/dbraw/zinc/97/53/08/824975308.db2.gz CGJAHHJFMBABAZ-VDERGJSUSA-N 2 0 292.427 -0.024 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220160008 824975388 /nfs/dbraw/zinc/97/53/88/824975388.db2.gz UVPHJFFAWPKXKN-WZRBSPASSA-N 2 0 255.362 -0.265 20 0 CBADRP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220163878 824975600 /nfs/dbraw/zinc/97/56/00/824975600.db2.gz WFEABPSNKKYZGA-UHXUPSOCSA-N 2 0 267.373 -0.252 20 0 CBADRP CCC1(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)COC1 ZINC001220170396 824975929 /nfs/dbraw/zinc/97/59/29/824975929.db2.gz JOKBSWZKWNWGCX-JTQLQIEISA-N 2 0 253.346 -0.662 20 0 CBADRP CCC1(CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)COC1 ZINC001220170954 824976596 /nfs/dbraw/zinc/97/65/96/824976596.db2.gz ZNILSAAQEUOYFL-LLVKDONJSA-N 2 0 255.362 -0.144 20 0 CBADRP Cn1ccc(CNC(=O)[C@@H]([NH3+])CCCC[NH3+])cc1=O ZINC001220179557 824979953 /nfs/dbraw/zinc/97/99/53/824979953.db2.gz NFXHUAZOUGOTKW-NSHDSACASA-N 2 0 266.345 -0.542 20 0 CBADRP Cn1ccc(CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])cc1=O ZINC001220178891 824980000 /nfs/dbraw/zinc/98/00/00/824980000.db2.gz ABIFHXGRSFKGTE-LBPRGKRZSA-N 2 0 280.372 -0.152 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1cncnc1 ZINC001220183688 824981157 /nfs/dbraw/zinc/98/11/57/824981157.db2.gz XARMDOIKBXOQTI-KOLCDFICSA-N 2 0 261.329 -0.537 20 0 CBADRP C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1cncnc1 ZINC001220183727 824981321 /nfs/dbraw/zinc/98/13/21/824981321.db2.gz XUOCNKLWLBTQKW-MPKXVKKWSA-N 2 0 275.356 -0.147 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1cc(OC2COC2)ccn1 ZINC001220183019 824981817 /nfs/dbraw/zinc/98/18/17/824981817.db2.gz AOYBISXMCDZZRO-ZDUSSCGKSA-N 2 0 294.355 -0.458 20 0 CBADRP [NH3+][C@@H](C(=O)NC[C@H]1CCNCC1(F)F)C1CC[NH2+]CC1 ZINC001220187152 824982111 /nfs/dbraw/zinc/98/21/11/824982111.db2.gz ZQMAXRBLGSBCOE-GHMZBOCLSA-N 2 0 290.358 -0.326 20 0 CBADRP O=C(NC[C@H]1C[C@@H](O)C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220191924 824985127 /nfs/dbraw/zinc/98/51/27/824985127.db2.gz UTIHSLSWDHUZQO-TUAOUCFPSA-N 2 0 267.373 -0.252 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220202913 824986302 /nfs/dbraw/zinc/98/63/02/824986302.db2.gz PIHAVJZKWNHQSB-RYUDHWBXSA-N 2 0 284.404 -0.266 20 0 CBADRP CC1(C)C[C@H](CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)O1 ZINC001220200501 824986481 /nfs/dbraw/zinc/98/64/81/824986481.db2.gz MIRMCMROXSNUTA-NEPJUHHUSA-N 2 0 284.404 -0.580 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001220200650 824986564 /nfs/dbraw/zinc/98/65/64/824986564.db2.gz PZVCCLYNPPOHSF-QWHCGFSZSA-N 2 0 285.388 -0.816 20 0 CBADRP CC(C)(C)[C@H](CO)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220216850 824988039 /nfs/dbraw/zinc/98/80/39/824988039.db2.gz BBKPXXJOYMSMFG-NEPJUHHUSA-N 2 0 286.420 -0.740 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)CN1CC[NH2+]CC1 ZINC001220221154 824988962 /nfs/dbraw/zinc/98/89/62/824988962.db2.gz SKIVPCNTVHRRSP-STQMWFEESA-N 2 0 268.405 -0.119 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220221023 824989475 /nfs/dbraw/zinc/98/94/75/824989475.db2.gz OAHYIIWSXBPNCG-UKTARXLSSA-N 2 0 280.416 -0.073 20 0 CBADRP CC1(C)C[C@@H](NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCO1 ZINC001220219209 824989887 /nfs/dbraw/zinc/98/98/87/824989887.db2.gz TXYRGSCETSIGOU-QWRGUYRKSA-N 2 0 267.373 -0.131 20 0 CBADRP CCCNC(=O)[C@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001220232776 824991080 /nfs/dbraw/zinc/99/10/80/824991080.db2.gz OYQAKGHWSWDBTM-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237914 824991139 /nfs/dbraw/zinc/99/11/39/824991139.db2.gz HRUYYUGHLRCKBZ-XQQFMLRXSA-N 2 0 287.404 -0.476 20 0 CBADRP COCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220233618 824991473 /nfs/dbraw/zinc/99/14/73/824991473.db2.gz CWCVHQMHEVNCBT-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)CNC1CC[NH2+]CC1 ZINC001220251729 824993980 /nfs/dbraw/zinc/99/39/80/824993980.db2.gz CTOKHIWZLWXEGX-CYBMUJFWSA-N 2 0 268.405 -0.072 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)NCC[C@@H]1CCC[N@H+]1C ZINC001220251679 824994046 /nfs/dbraw/zinc/99/40/46/824994046.db2.gz BMHZYOVLNXPQJL-QWRGUYRKSA-N 2 0 257.334 -0.523 20 0 CBADRP CN1C[C@H](CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1=O ZINC001220245852 824994792 /nfs/dbraw/zinc/99/47/92/824994792.db2.gz WKWYVHKWKLYPJI-RYUDHWBXSA-N 2 0 294.399 -0.545 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@]1(N)CCC[NH2+]C1 ZINC001220252005 824995832 /nfs/dbraw/zinc/99/58/32/824995832.db2.gz LLCCBTGACVVGKV-AAEUAGOBSA-N 2 0 254.378 -0.332 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)C1(N)CC[NH2+]CC1 ZINC001220252381 824996330 /nfs/dbraw/zinc/99/63/30/824996330.db2.gz YLRAQBXHAUYQEI-LLVKDONJSA-N 2 0 254.378 -0.332 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC001220253996 824996840 /nfs/dbraw/zinc/99/68/40/824996840.db2.gz IETMFROODRNKHZ-LBPRGKRZSA-N 2 0 281.404 -0.006 20 0 CBADRP [NH3+]CCN(C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2)c1cccnc1 ZINC001220260737 824997306 /nfs/dbraw/zinc/99/73/06/824997306.db2.gz FWTLWRQCFZNKNY-BZPMIXESSA-N 2 0 275.356 -0.405 20 0 CBADRP O=C(N[C@@H]1CCc2n[nH]cc2C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220260729 824997748 /nfs/dbraw/zinc/99/77/48/824997748.db2.gz FOHMFKUAFHPRQY-MNOVXSKESA-N 2 0 275.356 -0.808 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220254779 824997827 /nfs/dbraw/zinc/99/78/27/824997827.db2.gz XCADZZGCSDDFKE-MNOVXSKESA-N 3 0 274.434 -0.394 20 0 CBADRP [NH3+]CCN(C(=O)CNC1CC[NH2+]CC1)c1cccnc1 ZINC001220260977 824998514 /nfs/dbraw/zinc/99/85/14/824998514.db2.gz MSBVWIWUWLNJPX-UHFFFAOYSA-N 2 0 277.372 -0.285 20 0 CBADRP CC1(C)OCC(NC(=O)[C@@H]([NH3+])CCCC[NH3+])CO1 ZINC001220270741 824999972 /nfs/dbraw/zinc/99/99/72/824999972.db2.gz DVOIVTLTJTYXAP-JTQLQIEISA-N 2 0 259.350 -0.290 20 0 CBADRP CC1(C)OCC(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CO1 ZINC001220271065 825000722 /nfs/dbraw/zinc/00/07/22/825000722.db2.gz RYFJKNATZLCLJO-JTQLQIEISA-N 2 0 269.345 -0.937 20 0 CBADRP CCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276953 825003241 /nfs/dbraw/zinc/00/32/41/825003241.db2.gz OUAGGXFZSMRSDU-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001220275071 825003956 /nfs/dbraw/zinc/00/39/56/825003956.db2.gz OAMRAVORMHWTLI-MCIONIFRSA-N 2 0 299.415 -0.474 20 0 CBADRP Cn1cc(CCNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cn1 ZINC001220276523 825004288 /nfs/dbraw/zinc/00/42/88/825004288.db2.gz LKJKDTHOAGPXOJ-CYBMUJFWSA-N 2 0 291.399 -0.047 20 0 CBADRP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)N[C@H]1CC[NH2+]C1 ZINC001220282592 825004604 /nfs/dbraw/zinc/00/46/04/825004604.db2.gz LPFBAIQLOSNRRA-JQWIXIFHSA-N 2 0 273.340 -0.089 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCC1OCCO1 ZINC001220289211 825006870 /nfs/dbraw/zinc/00/68/70/825006870.db2.gz WIGTZOOMXKKOSY-NSHDSACASA-N 2 0 273.377 -0.029 20 0 CBADRP C[N@@H+]1CCCN(CCNC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC001220303915 825010075 /nfs/dbraw/zinc/01/00/75/825010075.db2.gz IUSOBUAYDCUWHW-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP C[N@@H+]1CCCN(CCNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001220307162 825010179 /nfs/dbraw/zinc/01/01/79/825010179.db2.gz SYZMGTBXOFHFQQ-CQSZACIVSA-N 3 0 297.447 -0.933 20 0 CBADRP C[N@@H+]1CCCN(CCNC(=O)[C@H]2CC[C@@H]2[NH3+])CC1 ZINC001220304024 825010363 /nfs/dbraw/zinc/01/03/63/825010363.db2.gz MFLILKMAPOVAFJ-RYUDHWBXSA-N 2 0 254.378 -0.523 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316171 825013211 /nfs/dbraw/zinc/01/32/11/825013211.db2.gz MWERMXUBNRJTQK-GMXVVIOVSA-N 3 0 270.377 -0.920 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220319452 825013498 /nfs/dbraw/zinc/01/34/98/825013498.db2.gz GNMFIMVSFGZIRS-YDHLFZDLSA-N 3 0 298.431 -0.140 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316896 825013700 /nfs/dbraw/zinc/01/37/00/825013700.db2.gz UMJBYDSKNMAEMN-YRGRVCCFSA-N 2 0 293.371 -0.693 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@H]1CC12CCOCC2 ZINC001220329147 825015227 /nfs/dbraw/zinc/01/52/27/825015227.db2.gz HEKJHVVZIJSLMO-UWVGGRQHSA-N 2 0 273.402 -0.309 20 0 CBADRP Cc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)n(N)c(=O)c1 ZINC001220323984 825015800 /nfs/dbraw/zinc/01/58/00/825015800.db2.gz SGNZFCWWZNPYDH-QMTHXVAHSA-N 2 0 291.355 -0.992 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CC12CCOCC2 ZINC001220334013 825016629 /nfs/dbraw/zinc/01/66/29/825016629.db2.gz YXSXYBYEPDMJTA-QWHCGFSZSA-N 2 0 296.415 -0.578 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220331904 825016656 /nfs/dbraw/zinc/01/66/56/825016656.db2.gz FJWHGXPICSAFDY-AVGNSLFASA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001220333311 825016957 /nfs/dbraw/zinc/01/69/57/825016957.db2.gz TUNSOKLAWKEBHR-XQQFMLRXSA-N 2 0 268.405 -0.088 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCCNC(=O)Nc1ccccc1 ZINC001220340437 825017959 /nfs/dbraw/zinc/01/79/59/825017959.db2.gz DMCNHWAQLCBKDC-LBPRGKRZSA-N 2 0 293.371 -0.010 20 0 CBADRP COc1ccc(CNC(=O)[C@@H]([NH3+])CCCC[NH3+])nn1 ZINC001220343367 825019299 /nfs/dbraw/zinc/01/92/99/825019299.db2.gz LKHIXYJRFJZYSL-JTQLQIEISA-N 2 0 267.333 -0.442 20 0 CBADRP COc1ccc(CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])nn1 ZINC001220343726 825019305 /nfs/dbraw/zinc/01/93/05/825019305.db2.gz ZVNVOQLKFDIKNJ-JTQLQIEISA-N 2 0 281.360 -0.052 20 0 CBADRP COCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001220352245 825020616 /nfs/dbraw/zinc/02/06/16/825020616.db2.gz ZWWROBAOFIDKQY-MJBXVCDLSA-N 2 0 299.415 -0.332 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1ccc(Cl)nn1 ZINC001220368380 825021375 /nfs/dbraw/zinc/02/13/75/825021375.db2.gz CWQJADCHVUSBOQ-QMMMGPOBSA-N 2 0 289.792 -0.235 20 0 CBADRP O=C(NCc1ccc(Cl)nn1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220368671 825022013 /nfs/dbraw/zinc/02/20/13/825022013.db2.gz JYWKYELMVRCKOL-VIFPVBQESA-N 2 0 281.747 -0.445 20 0 CBADRP [NH3+]Cc1ccc2c(n1)N(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)CCC2 ZINC001220377173 825022699 /nfs/dbraw/zinc/02/26/99/825022699.db2.gz MHZOEONOEAYLQK-NEPJUHHUSA-N 2 0 276.340 -0.600 20 0 CBADRP [NH3+]Cc1ccc2c(n1)N(C(=O)[C@@H]1C[C@@H]([NH3+])CN1)CCC2 ZINC001220377440 825024785 /nfs/dbraw/zinc/02/47/85/825024785.db2.gz XUWVOGHJDPEEMW-PWSUYJOCSA-N 2 0 275.356 -0.491 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)NC(C)(C)CC[NH+](C)C ZINC001220386378 825026354 /nfs/dbraw/zinc/02/63/54/825026354.db2.gz QTJWQTBGMDNAGX-JTQLQIEISA-N 2 0 259.350 -0.277 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1ncccc1O ZINC001220389967 825027026 /nfs/dbraw/zinc/02/70/26/825027026.db2.gz IVBQQFUSWWTSMW-QMMMGPOBSA-N 2 0 270.358 -0.577 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCc1ncccc1O ZINC001220390314 825027152 /nfs/dbraw/zinc/02/71/52/825027152.db2.gz XVLQLUDDTNHIAE-VIFPVBQESA-N 2 0 252.318 -0.140 20 0 CBADRP O=C(NCC12CC[NH+](CC1)CC2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220394693 825028578 /nfs/dbraw/zinc/02/85/78/825028578.db2.gz MALYUBITRCRUPI-QWRGUYRKSA-N 2 0 253.346 -0.689 20 0 CBADRP COc1ccc(CCNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)nc1 ZINC001220396923 825030202 /nfs/dbraw/zinc/03/02/02/825030202.db2.gz QQTOXIAYAMIGJU-CYBMUJFWSA-N 2 0 290.367 -0.442 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001220405774 825032089 /nfs/dbraw/zinc/03/20/89/825032089.db2.gz CYQBOVZXZSJWPS-OPRDCNLKSA-N 2 0 257.334 -0.490 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1ccc2n[nH]nc2c1 ZINC001220426462 825036888 /nfs/dbraw/zinc/03/68/88/825036888.db2.gz HJZMFQYRQJMYTK-VIFPVBQESA-N 2 0 294.384 -0.407 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001220429221 825037401 /nfs/dbraw/zinc/03/74/01/825037401.db2.gz NQQYFRDVMRIDQX-NFAWXSAZSA-N 2 0 297.399 -0.360 20 0 CBADRP [NH3+][C@@H](Cc1cccc(O)c1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220429713 825037803 /nfs/dbraw/zinc/03/78/03/825037803.db2.gz XVLAZFMZKCGIPZ-YPMHNXCESA-N 2 0 279.340 -0.633 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220431867 825039529 /nfs/dbraw/zinc/03/95/29/825039529.db2.gz RUYRPXNBBCUIAV-STQMWFEESA-N 3 0 286.420 -0.413 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCC(=O)CCO ZINC001220448898 825040651 /nfs/dbraw/zinc/04/06/51/825040651.db2.gz AXCXXDBADSOVPK-NSHDSACASA-N 2 0 259.350 -0.887 20 0 CBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)O1 ZINC001220481704 825049099 /nfs/dbraw/zinc/04/90/99/825049099.db2.gz NSMQZEFSLWKGGT-FNOROQBZSA-N 2 0 295.330 -0.190 20 0 CBADRP [NH3+][C@H](CNC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2)c1ccccc1 ZINC001220500271 825051644 /nfs/dbraw/zinc/05/16/44/825051644.db2.gz HPJDQTKBRAADMC-GZBFAFLISA-N 2 0 274.368 -0.246 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220502004 825052057 /nfs/dbraw/zinc/05/20/57/825052057.db2.gz XHQMXLPOLPLPRV-NEPJUHHUSA-N 3 0 282.413 -0.178 20 0 CBADRP [NH3+][C@H](CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1ccccc1 ZINC001220499992 825052098 /nfs/dbraw/zinc/05/20/98/825052098.db2.gz GEBLDINUWHSWPA-QWHCGFSZSA-N 3 0 274.368 -0.388 20 0 CBADRP CN(CC[NH3+])CCNC(=O)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001220517192 825054446 /nfs/dbraw/zinc/05/44/46/825054446.db2.gz AEDPZLZNABNRKX-KBPBESRZSA-N 2 0 297.447 -0.933 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCOCCOCC[NH3+])C1 ZINC001220519460 825054559 /nfs/dbraw/zinc/05/45/59/825054559.db2.gz OTQZFHXYONKBGC-VXGBXAGGSA-N 2 0 273.377 -0.517 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C2CC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001220521725 825056439 /nfs/dbraw/zinc/05/64/39/825056439.db2.gz MITRYWMZGHOUSN-UHFFFAOYSA-N 2 0 293.367 -0.087 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]C1 ZINC001220521375 825057204 /nfs/dbraw/zinc/05/72/04/825057204.db2.gz FHWOQMXONPCAMQ-GDGBQDQQSA-N 2 0 279.340 -0.622 20 0 CBADRP C[C@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])[C@H](O)c1cccc(O)c1 ZINC001220546026 825060541 /nfs/dbraw/zinc/06/05/41/825060541.db2.gz AAOUVHCIHLKWSF-XDTLVQLUSA-N 2 0 281.356 -0.004 20 0 CBADRP O=C(NCc1cccc2ccnn21)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220553132 825061562 /nfs/dbraw/zinc/06/15/62/825061562.db2.gz HUDTTWNAZTWNPJ-CYBMUJFWSA-N 2 0 285.351 -0.241 20 0 CBADRP C[C@@H]1COCC[C@H]1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220566141 825063527 /nfs/dbraw/zinc/06/35/27/825063527.db2.gz ZXAJXNUVIOGEMQ-OUAUKWLOSA-N 2 0 253.346 -0.663 20 0 CBADRP CC(C)(O)CCCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220573290 825068006 /nfs/dbraw/zinc/06/80/06/825068006.db2.gz KARGRVGXLJGOQK-BXUZGUMPSA-N 2 0 269.389 -0.147 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001220578663 825069379 /nfs/dbraw/zinc/06/93/79/825069379.db2.gz NALCYTQPTGYDDI-NEPJUHHUSA-N 2 0 275.368 -0.151 20 0 CBADRP COC(=O)[C@@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C(F)(F)F ZINC001220588320 825070876 /nfs/dbraw/zinc/07/08/76/825070876.db2.gz SLEIQAXWCIXBHR-RNFRBKRXSA-N 2 0 295.261 -0.985 20 0 CBADRP CCOC(=O)[C@H](C)CNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220848560 825110599 /nfs/dbraw/zinc/11/05/99/825110599.db2.gz AAMKQWJENHRBJS-ZJUUUORDSA-N 2 0 259.350 -0.242 20 0 CBADRP CCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220638154 825078956 /nfs/dbraw/zinc/07/89/56/825078956.db2.gz UQVODZDBVODJJQ-KGLIPLIRSA-N 2 0 299.415 -0.332 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220648872 825079972 /nfs/dbraw/zinc/07/99/72/825079972.db2.gz NCYBNTNWNLZWOY-ZDUSSCGKSA-N 2 0 292.383 -0.578 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1ccccc1-n1cnnn1 ZINC001220667895 825082581 /nfs/dbraw/zinc/08/25/81/825082581.db2.gz GCUSLNBJLUUGLB-NSHDSACASA-N 2 0 289.343 -0.655 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001220680787 825084852 /nfs/dbraw/zinc/08/48/52/825084852.db2.gz RAGXESIQQYUEEP-HGCLJGPKSA-N 2 0 252.362 -0.535 20 0 CBADRP [NH3+]Cc1ncccc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220710923 825090794 /nfs/dbraw/zinc/09/07/94/825090794.db2.gz FUOCYRMKHNLFMQ-VIFPVBQESA-N 3 0 261.329 -0.712 20 0 CBADRP CC(C)(C)NC(=O)CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220709490 825091360 /nfs/dbraw/zinc/09/13/60/825091360.db2.gz ZFYZJZPCBSYKEV-JTQLQIEISA-N 2 0 282.388 -0.784 20 0 CBADRP [NH3+]Cc1ncccc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220710922 825091948 /nfs/dbraw/zinc/09/19/48/825091948.db2.gz FUOCYRMKHNLFMQ-SECBINFHSA-N 3 0 261.329 -0.712 20 0 CBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1[NH2+]CC[C@@H]1O)C2 ZINC001220716637 825093492 /nfs/dbraw/zinc/09/34/92/825093492.db2.gz MONFITBHILHZIV-WJTVCTBASA-N 2 0 267.373 -0.159 20 0 CBADRP C[C@@H]1COCCN1CCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220725751 825094128 /nfs/dbraw/zinc/09/41/28/825094128.db2.gz XSQKVZWNIWRBFI-UMVBOHGHSA-N 2 0 296.415 -0.978 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001220743933 825094940 /nfs/dbraw/zinc/09/49/40/825094940.db2.gz VSWHPSZGSMZTSE-KBPBESRZSA-N 2 0 289.383 -0.287 20 0 CBADRP CC(=O)NC[C@H](C)CNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220757292 825096850 /nfs/dbraw/zinc/09/68/50/825096850.db2.gz ZBKFEVWBGXZFDP-ONGXEEELSA-N 2 0 258.366 -0.669 20 0 CBADRP CC(=O)NCCCCCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220759383 825097700 /nfs/dbraw/zinc/09/77/00/825097700.db2.gz XZNKDQDTIUEBPK-GFCCVEGCSA-N 2 0 282.388 -0.782 20 0 CBADRP CC(=O)NCCCCCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220759384 825098263 /nfs/dbraw/zinc/09/82/63/825098263.db2.gz XZNKDQDTIUEBPK-LBPRGKRZSA-N 2 0 282.388 -0.782 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220779428 825100717 /nfs/dbraw/zinc/10/07/17/825100717.db2.gz STMFFKXAIPPWAT-GLQYFDAESA-N 2 0 294.399 -0.144 20 0 CBADRP NC(=O)CC[C@H]([NH3+])CC(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220777181 825100795 /nfs/dbraw/zinc/10/07/95/825100795.db2.gz HEGUTTBUTZOVPC-GDLCADMTSA-N 2 0 282.388 -0.110 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@@H]3C[NH2+]C[C@H](O)C3)(C1)CCC2 ZINC001220775242 825100971 /nfs/dbraw/zinc/10/09/71/825100971.db2.gz OPENJJBAEUBSBI-UZGDPCLZSA-N 2 0 267.373 -0.123 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220775306 825101347 /nfs/dbraw/zinc/10/13/47/825101347.db2.gz RJKRHDMRMRZAIW-RTXFEEFZSA-N 3 0 254.378 -0.027 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220781337 825101563 /nfs/dbraw/zinc/10/15/63/825101563.db2.gz YEJBMINTLKZVKB-BNOWGMLFSA-N 2 0 266.389 -0.190 20 0 CBADRP [NH3+]CCNCC(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220789550 825102001 /nfs/dbraw/zinc/10/20/01/825102001.db2.gz LPDIOJQULSAEPE-OCCSQVGLSA-N 2 0 277.372 -0.603 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220788453 825102561 /nfs/dbraw/zinc/10/25/61/825102561.db2.gz DZWNFVNRFMVLOL-AVGNSLFASA-N 2 0 277.372 -0.476 20 0 CBADRP N[C@@H](C[NH3+])C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220788993 825102612 /nfs/dbraw/zinc/10/26/12/825102612.db2.gz IAUOBLUFVLUBCF-SDDRHHMPSA-N 2 0 263.345 -0.866 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)NC[C@@H]2CC[NH2+][C@@H]2c2cccnc2)C1 ZINC001220788593 825102896 /nfs/dbraw/zinc/10/28/96/825102896.db2.gz FHEMOSDFFAZQHA-XDQVBPFNSA-N 2 0 289.383 -0.462 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220798867 825103307 /nfs/dbraw/zinc/10/33/07/825103307.db2.gz JKKBFYQCRDQHPU-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220800642 825104112 /nfs/dbraw/zinc/10/41/12/825104112.db2.gz SLRXOEPTPGJRMR-XHNCKOQMSA-N 3 0 282.310 -0.291 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@H]1[NH2+]CC[C@@H]1O ZINC001220805767 825104141 /nfs/dbraw/zinc/10/41/41/825104141.db2.gz VDDMNVRSHWVRMU-HXFLIBJXSA-N 2 0 281.278 -0.634 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@H]1[NH2+]CC[C@@H]1O ZINC001220805768 825104630 /nfs/dbraw/zinc/10/46/30/825104630.db2.gz VDDMNVRSHWVRMU-JBDRJPRFSA-N 2 0 281.278 -0.634 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCN1CCC(F)(F)C1 ZINC001220808615 825105313 /nfs/dbraw/zinc/10/53/13/825105313.db2.gz SVDSOYBJAHEAKW-VIFPVBQESA-N 2 0 296.387 -0.537 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC)C[C@@H]1O ZINC001220816793 825105321 /nfs/dbraw/zinc/10/53/21/825105321.db2.gz AMBHZFOUEYKIBB-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C2CC[NH+](C)CC2)C[NH2+]C1 ZINC001220827234 825106665 /nfs/dbraw/zinc/10/66/65/825106665.db2.gz KNSLSENDPLYHLZ-UHFFFAOYSA-N 2 0 281.356 -0.135 20 0 CBADRP CCOC(=O)C1=C(NC(=O)CC2CC[NH2+]CC2)C[NH2+]C1 ZINC001220826926 825107348 /nfs/dbraw/zinc/10/73/48/825107348.db2.gz BURFIFWAAWFRSY-UHFFFAOYSA-N 2 0 281.356 -0.087 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]C[C@@H](F)C2)C[NH2+]C1 ZINC001220826807 825107532 /nfs/dbraw/zinc/10/75/32/825107532.db2.gz AHQIYZONKNCBMV-IUCAKERBSA-N 2 0 285.319 -0.529 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[NH+]3CCC2CC3)C[NH2+]C1 ZINC001220828340 825107895 /nfs/dbraw/zinc/10/78/95/825107895.db2.gz MJHIJVPZZVFSOB-LBPRGKRZSA-N 2 0 293.367 -0.135 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])C2CCOCC2)C[NH2+]C1 ZINC001220828122 825107968 /nfs/dbraw/zinc/10/79/68/825107968.db2.gz IBMSUZJISDDYCE-LBPRGKRZSA-N 2 0 297.355 -0.723 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](C)OC)C[C@@H]1O ZINC001220828849 825108444 /nfs/dbraw/zinc/10/84/44/825108444.db2.gz FNDFAXIBEZIEIL-XQQFMLRXSA-N 2 0 287.404 -0.476 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)COC)C[C@@H]1O ZINC001220830561 825109041 /nfs/dbraw/zinc/10/90/41/825109041.db2.gz BZFRNUWDUJDPRO-UPJWGTAASA-N 2 0 287.404 -0.476 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@]2(C)CC[NH2+]C2)C[NH2+]C1 ZINC001220830051 825109251 /nfs/dbraw/zinc/10/92/51/825109251.db2.gz LQSKFCRIFPFJMI-ZDUSSCGKSA-N 2 0 267.329 -0.477 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]2CC[NH2+]C[C@H]2F)C[NH2+]C1 ZINC001220830047 825109657 /nfs/dbraw/zinc/10/96/57/825109657.db2.gz LNRKSDSOKJWCBB-WCBMZHEXSA-N 2 0 285.319 -0.529 20 0 CBADRP CCOC(=O)C1=C(NC(=O)c2c[nH+]ccc2N)C[NH2+]C1 ZINC001220832036 825109827 /nfs/dbraw/zinc/10/98/27/825109827.db2.gz SVDFKRAJRXUGQC-UHFFFAOYSA-N 2 0 276.296 -0.356 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@H]2[NH2+]CCC[C@H]2C)C[NH2+]C1 ZINC001220850964 825112117 /nfs/dbraw/zinc/11/21/17/825112117.db2.gz BQIHOBYPAHUSGQ-ZJUUUORDSA-N 2 0 269.345 -0.604 20 0 CBADRP CCOC(=O)[C@@H](C)CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220849121 825112859 /nfs/dbraw/zinc/11/28/59/825112859.db2.gz SRZYDFGYQJPUIU-UWVGGRQHSA-N 2 0 269.345 -0.889 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)C[NH2+]C1 ZINC001220851122 825112937 /nfs/dbraw/zinc/11/29/37/825112937.db2.gz IQJBVXUGDLQWHA-VHSXEESVSA-N 2 0 269.345 -0.604 20 0 CBADRP O=C(NCCO[C@H]1CCCCO1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220861871 825113576 /nfs/dbraw/zinc/11/35/76/825113576.db2.gz HMCJIPJQECITQL-VNHYZAJKSA-N 2 0 297.399 -0.155 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220857754 825114230 /nfs/dbraw/zinc/11/42/30/825114230.db2.gz QNJUIWFUWZSNCP-GBIKHYSHSA-N 2 0 254.378 -0.573 20 0 CBADRP O=C(NCCc1c[nH]c2cc[nH+]cc12)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220865834 825115038 /nfs/dbraw/zinc/11/50/38/825115038.db2.gz MIYCMJXDBMKANL-YPMHNXCESA-N 2 0 274.324 -0.198 20 0 CBADRP COc1cncc(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001220871008 825116664 /nfs/dbraw/zinc/11/66/64/825116664.db2.gz RJWKHNAWABPYPY-GFCCVEGCSA-N 2 0 276.340 -0.485 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001220886744 825119485 /nfs/dbraw/zinc/11/94/85/825119485.db2.gz LKHVMCSIRHYDDA-MGPQQGTHSA-N 2 0 280.416 -0.072 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220884406 825120048 /nfs/dbraw/zinc/12/00/48/825120048.db2.gz BMNOGNBSGJTFTN-NQBHXWOUSA-N 3 0 252.362 -0.946 20 0 CBADRP O=C(C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)N[C@H]1CCC[NH2+]C1 ZINC001220884931 825120348 /nfs/dbraw/zinc/12/03/48/825120348.db2.gz RYFFAWVNLZHSNG-XQHKEYJVSA-N 2 0 267.373 -0.131 20 0 CBADRP CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC001220889223 825121004 /nfs/dbraw/zinc/12/10/04/825121004.db2.gz GDDBFMGWGMCVHN-VXGBXAGGSA-N 2 0 268.405 -0.073 20 0 CBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220889065 825121234 /nfs/dbraw/zinc/12/12/34/825121234.db2.gz BHCUDYMEUMYYLX-NEPJUHHUSA-N 2 0 270.377 -0.512 20 0 CBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220889066 825121449 /nfs/dbraw/zinc/12/14/49/825121449.db2.gz BHCUDYMEUMYYLX-RYUDHWBXSA-N 2 0 270.377 -0.512 20 0 CBADRP CC(C)(C)[N@@H+]1CCN[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC001220889220 825121458 /nfs/dbraw/zinc/12/14/58/825121458.db2.gz GDDBFMGWGMCVHN-NEPJUHHUSA-N 2 0 268.405 -0.073 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220900480 825122186 /nfs/dbraw/zinc/12/21/86/825122186.db2.gz KVEUEIJQMUGQIP-VHSXEESVSA-N 2 0 288.352 -0.961 20 0 CBADRP CCC(=O)N1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001220907330 825122464 /nfs/dbraw/zinc/12/24/64/825122464.db2.gz MWQQNXWTQAACTE-QWRGUYRKSA-N 2 0 270.377 -0.430 20 0 CBADRP CCC(=O)N1CC[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001220906959 825122638 /nfs/dbraw/zinc/12/26/38/825122638.db2.gz DQGDCLYVMCMKDM-UWVGGRQHSA-N 2 0 288.417 -0.867 20 0 CBADRP Cc1noc(C2(NC(=O)[C@@H]([NH3+])CCCC[NH3+])CC2)n1 ZINC001220932899 825125442 /nfs/dbraw/zinc/12/54/42/825125442.db2.gz RKDQKSYDWIFSPD-VIFPVBQESA-N 2 0 267.333 -0.060 20 0 CBADRP CCCC(C[NH3+])(CCC)NC(=O)CNC(=O)C[NH3+] ZINC001221372411 825178340 /nfs/dbraw/zinc/17/83/40/825178340.db2.gz NGFWSTVHHNXIRN-UHFFFAOYSA-N 2 0 258.366 -0.525 20 0 CBADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220937670 825126816 /nfs/dbraw/zinc/12/68/16/825126816.db2.gz XHAHXRYQDHEQMH-CHWSQXEVSA-N 3 0 296.415 -0.645 20 0 CBADRP [NH3+][C@@H](Cc1cccc(O)c1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937753 825127200 /nfs/dbraw/zinc/12/72/00/825127200.db2.gz ZLJDFPUVNUUUIB-KBPBESRZSA-N 2 0 293.367 -0.243 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937669 825127495 /nfs/dbraw/zinc/12/74/95/825127495.db2.gz XDNDKZSYEXKLBL-QWRGUYRKSA-N 2 0 273.377 -0.377 20 0 CBADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220937671 825127646 /nfs/dbraw/zinc/12/76/46/825127646.db2.gz XHAHXRYQDHEQMH-OLZOCXBDSA-N 3 0 296.415 -0.645 20 0 CBADRP N=c1ncc(C[NH3+])cn1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220950981 825129234 /nfs/dbraw/zinc/12/92/34/825129234.db2.gz MMDNQRJHSVJFKV-LLVKDONJSA-N 3 0 290.371 -0.664 20 0 CBADRP N=c1ncc(C[NH3+])cn1C(=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001220950900 825129154 /nfs/dbraw/zinc/12/91/54/825129154.db2.gz JXONGUUFGOMGFW-IUCAKERBSA-N 2 0 253.281 -0.448 20 0 CBADRP CC(C)[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220980910 825131432 /nfs/dbraw/zinc/13/14/32/825131432.db2.gz BJMPDLGUKQZIRD-MCIONIFRSA-N 2 0 299.415 -0.476 20 0 CBADRP CCc1nnc2ccc(CNC(=O)[C@H]([NH3+])CCC[NH3+])cn21 ZINC001220992861 825134105 /nfs/dbraw/zinc/13/41/05/825134105.db2.gz VVEXQZYRWYUKSJ-LLVKDONJSA-N 2 0 290.371 -0.026 20 0 CBADRP Cc1nnc(CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)o1 ZINC001221010436 825135079 /nfs/dbraw/zinc/13/50/79/825135079.db2.gz HHKSRNPKPCNSNC-SNVBAGLBSA-N 2 0 253.306 -0.679 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CC12CCC2 ZINC001221015474 825137406 /nfs/dbraw/zinc/13/74/06/825137406.db2.gz IZWDPINCOJIDSS-VXGBXAGGSA-N 2 0 266.389 -0.204 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC=CCC1 ZINC001221018454 825138647 /nfs/dbraw/zinc/13/86/47/825138647.db2.gz CSTJMSHHCCILKX-QWHCGFSZSA-N 2 0 266.389 -0.038 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001221056768 825139818 /nfs/dbraw/zinc/13/98/18/825139818.db2.gz ZKXMODOCEKABSE-JHJVBQTASA-N 2 0 285.388 -0.544 20 0 CBADRP CCOc1cccc(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001221065248 825139882 /nfs/dbraw/zinc/13/98/82/825139882.db2.gz DOPJLYOGDGTEFM-LBPRGKRZSA-N 2 0 290.367 -0.095 20 0 CBADRP O=C(N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1)[C@@H]1C[NH2+]CCN1 ZINC001221056150 825139899 /nfs/dbraw/zinc/13/98/99/825139899.db2.gz HDXLFLMFOZFADS-IHRRRGAJSA-N 2 0 296.415 -0.693 20 0 CBADRP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081467 825141451 /nfs/dbraw/zinc/14/14/51/825141451.db2.gz NJOMCXARGOMNGG-MJBXVCDLSA-N 2 0 299.415 -0.596 20 0 CBADRP O=C(NC1(c2cnccn2)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221082491 825141570 /nfs/dbraw/zinc/14/15/70/825141570.db2.gz VYYJSPUNYLOOHN-BXUZGUMPSA-N 2 0 287.367 -0.219 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221123973 825145505 /nfs/dbraw/zinc/14/55/05/825145505.db2.gz QYKCNABBKVKTEH-STQMWFEESA-N 2 0 289.383 -0.677 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221123963 825145550 /nfs/dbraw/zinc/14/55/50/825145550.db2.gz QLWDTNDUCJPVQT-UHFFFAOYSA-N 3 0 291.399 -0.285 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)NC2(c3cccnc3)CC[NH2+]CC2)C1 ZINC001221123961 825145608 /nfs/dbraw/zinc/14/56/08/825145608.db2.gz QIJJSMAHVLWDSV-STQMWFEESA-N 2 0 289.383 -0.534 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001221134172 825146478 /nfs/dbraw/zinc/14/64/78/825146478.db2.gz ODZKONSIYVERAG-GFCCVEGCSA-N 3 0 296.415 -0.848 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)CC1 ZINC001221134150 825146830 /nfs/dbraw/zinc/14/68/30/825146830.db2.gz NEASDRAQERNTKE-JMSVASOKSA-N 2 0 296.415 -0.435 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001221187638 825151205 /nfs/dbraw/zinc/15/12/05/825151205.db2.gz CRARIBJGWIYXIK-BBBLOLIVSA-N 2 0 257.334 -0.490 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC001221188578 825152059 /nfs/dbraw/zinc/15/20/59/825152059.db2.gz XXEPUGCNHMVSOW-DCAQKATOSA-N 2 0 271.361 -0.229 20 0 CBADRP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001221241422 825159151 /nfs/dbraw/zinc/15/91/51/825159151.db2.gz VDMLBDROOUWYGD-BPLDGKMQSA-N 3 0 280.416 -0.214 20 0 CBADRP C[N@@H+]1CCC[C@](C)(NC(=O)[C@@]2(N)CCC[NH2+]C2)C1 ZINC001221243511 825160485 /nfs/dbraw/zinc/16/04/85/825160485.db2.gz JUHSPHRUMHNWGI-QWHCGFSZSA-N 2 0 254.378 -0.332 20 0 CBADRP O=C(N[C@@H]1CCOC[C@@H]1F)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221244357 825160837 /nfs/dbraw/zinc/16/08/37/825160837.db2.gz XQLFPPNIJDPWLD-LSCVPOLPSA-N 2 0 271.336 -0.571 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001221254535 825162196 /nfs/dbraw/zinc/16/21/96/825162196.db2.gz PJZAWTOUTUTFJI-QWRGUYRKSA-N 2 0 268.361 -0.996 20 0 CBADRP CC(=O)OCN1CCC(NC(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001221259052 825163381 /nfs/dbraw/zinc/16/33/81/825163381.db2.gz SQNCRWOLLGTAEL-LBPRGKRZSA-N 2 0 286.376 -0.846 20 0 CBADRP [NH3+][C@H](C(=O)N[C@H]1CCCNC(=O)C1)C1CC[NH2+]CC1 ZINC001221268834 825164997 /nfs/dbraw/zinc/16/49/97/825164997.db2.gz DWVJMHYCLZYVBH-JQWIXIFHSA-N 2 0 268.361 -0.902 20 0 CBADRP [NH3+][C@@H](C(=O)N[C@@H]1CCCNC(=O)C1)C1CC[NH2+]CC1 ZINC001221268836 825165266 /nfs/dbraw/zinc/16/52/66/825165266.db2.gz DWVJMHYCLZYVBH-ZYHUDNBSSA-N 2 0 268.361 -0.902 20 0 CBADRP [NH3+][C@H](C(=O)N[C@H]1CCC[C@H]1CO)C1CC[NH2+]CC1 ZINC001221309603 825170044 /nfs/dbraw/zinc/17/00/44/825170044.db2.gz SMSZJSPHENBIPH-SRVKXCTJSA-N 2 0 255.362 -0.410 20 0 CBADRP [NH3+][C@@H](C(=O)N[C@H]1CCC[C@H]1CO)C1CC[NH2+]CC1 ZINC001221309602 825170122 /nfs/dbraw/zinc/17/01/22/825170122.db2.gz SMSZJSPHENBIPH-SDDRHHMPSA-N 2 0 255.362 -0.410 20 0 CBADRP N=C(NC(=O)[C@H]([NH3+])CCC[NH3+])c1cnc2ccc(F)cn21 ZINC001221322798 825170832 /nfs/dbraw/zinc/17/08/32/825170832.db2.gz NJOZAPAIKBMQCM-SECBINFHSA-N 2 0 292.318 -0.019 20 0 CBADRP Cc1ncsc1CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221327680 825170879 /nfs/dbraw/zinc/17/08/79/825170879.db2.gz CQKBGFGWYKBMRR-JTQLQIEISA-N 2 0 280.397 -0.081 20 0 CBADRP O=C(NCc1cnc(Cl)cn1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221319235 825171022 /nfs/dbraw/zinc/17/10/22/825171022.db2.gz RTDIDCUJQQDJAP-SECBINFHSA-N 2 0 281.747 -0.445 20 0 CBADRP COC(=O)[C@H]1CCN(CC(=O)NCCCC[NH3+])C1 ZINC001221348387 825174649 /nfs/dbraw/zinc/17/46/49/825174649.db2.gz HKJZEPBBWLMHGU-JTQLQIEISA-N 2 0 257.334 -0.664 20 0 CBADRP [NH3+]CCCCNC(=O)c1cccnc1N1CC[NH2+]CC1 ZINC001221345997 825175259 /nfs/dbraw/zinc/17/52/59/825175259.db2.gz MFDMRSIFDLOIGH-UHFFFAOYSA-N 2 0 277.372 -0.040 20 0 CBADRP CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)N[C@@H]2C[NH2+]CC[C@H]2F)C1 ZINC001221365463 825176256 /nfs/dbraw/zinc/17/62/56/825176256.db2.gz DFROZGCLNUMUSI-IJLUTSLNSA-N 2 0 286.395 -0.125 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CNC(=O)O1 ZINC001221370417 825177598 /nfs/dbraw/zinc/17/75/98/825177598.db2.gz QTFLBYMEMTZFJF-ZJUUUORDSA-N 2 0 272.349 -0.730 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CNC(=O)O1 ZINC001221368305 825177740 /nfs/dbraw/zinc/17/77/40/825177740.db2.gz FNOVALLCBJLRFX-MNOVXSKESA-N 2 0 286.376 -0.293 20 0 CBADRP CCCC(C[NH3+])(CCC)NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001221371982 825178788 /nfs/dbraw/zinc/17/87/88/825178788.db2.gz JJTXNSWBZCWTHO-LBPRGKRZSA-N 2 0 298.431 -0.269 20 0 CBADRP CCCC(C[NH3+])(CCC)NC(=O)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001221372770 825179317 /nfs/dbraw/zinc/17/93/17/825179317.db2.gz SKBGUDVWPXSVAB-GFCCVEGCSA-N 2 0 296.415 -0.122 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C1(N)CC[NH2+]CC1 ZINC001221387981 825179639 /nfs/dbraw/zinc/17/96/39/825179639.db2.gz AFGKRAUCKCNUKA-UHFFFAOYSA-N 3 0 284.408 -0.869 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001221390592 825179831 /nfs/dbraw/zinc/17/98/31/825179831.db2.gz GSHWUYJSUWYZPC-WDEREUQCSA-N 3 0 287.383 -0.002 20 0 CBADRP NC1=CC=C(C2CCN(C(=O)[C@H]3[NH2+]CC[C@H]3O)CC2)[NH2+]C1 ZINC001221393171 825180553 /nfs/dbraw/zinc/18/05/53/825180553.db2.gz XVKORDNIINOCOU-KGLIPLIRSA-N 2 0 292.383 -0.723 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N(C(C)C)C(C)(C)C[NH3+] ZINC001221394379 825181374 /nfs/dbraw/zinc/18/13/74/825181374.db2.gz OOPPRIGFINKXPK-JTQLQIEISA-N 2 0 259.350 -0.149 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221396810 825181502 /nfs/dbraw/zinc/18/15/02/825181502.db2.gz BMQLXIDYQPCCSO-UONOGXRCSA-N 3 0 276.384 -0.117 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NCCOc1ccncc1 ZINC001221394264 825181736 /nfs/dbraw/zinc/18/17/36/825181736.db2.gz YRUGTAKIKRFUJV-LLVKDONJSA-N 2 0 265.313 -0.045 20 0 CBADRP CC(C)N(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)C(C)(C)C[NH3+] ZINC001221394260 825181887 /nfs/dbraw/zinc/18/18/87/825181887.db2.gz LFJOHLLOWQMWLH-SDDRHHMPSA-N 2 0 268.405 -0.089 20 0 CBADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@@H]1C[NH2+]C[C@@H](O)C1 ZINC001221397918 825182684 /nfs/dbraw/zinc/18/26/84/825182684.db2.gz QJYBWJAFMSVACG-KKUMJFAQSA-N 2 0 289.379 -0.213 20 0 CBADRP C[NH+](C)CC1CCC(NC(=O)C[C@@H](O)C[NH3+])CC1 ZINC001221401732 825182905 /nfs/dbraw/zinc/18/29/05/825182905.db2.gz MZBZRMWGRLWQIU-HTAVTVPLSA-N 2 0 257.378 -0.067 20 0 CBADRP C[NH+]1CCC(CO)(NC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC001221402396 825183109 /nfs/dbraw/zinc/18/31/09/825183109.db2.gz GBCMYJSNKDYMBG-LBPRGKRZSA-N 2 0 269.389 -0.051 20 0 CBADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]2C[C@H]([NH3+])CN2)c1 ZINC001221402694 825183355 /nfs/dbraw/zinc/18/33/55/825183355.db2.gz CTQHZEYYUYAOLU-DRZSPHRISA-N 2 0 278.356 -0.500 20 0 CBADRP C[NH+]1CCC(CO)(NC(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC001221406439 825183756 /nfs/dbraw/zinc/18/37/56/825183756.db2.gz QSMLRURMGLBLHQ-QMMMGPOBSA-N 2 0 265.304 -0.458 20 0 CBADRP C[NH+](C)CC1CCC(NC(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001221403815 825184007 /nfs/dbraw/zinc/18/40/07/825184007.db2.gz YTVBJYXQPBTHRJ-TUUUFIMRSA-N 2 0 269.389 -0.197 20 0 CBADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]([NH3+])COC(C)=O)c1 ZINC001221406222 825184167 /nfs/dbraw/zinc/18/41/67/825184167.db2.gz PFDNUSBILXJUCB-STQMWFEESA-N 2 0 295.339 -0.298 20 0 CBADRP Cc1nnc(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)[nH]1 ZINC001221406548 825184726 /nfs/dbraw/zinc/18/47/26/825184726.db2.gz GKKPKBXYGBKDJP-JTQLQIEISA-N 2 0 278.360 -0.396 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221407801 825184774 /nfs/dbraw/zinc/18/47/74/825184774.db2.gz FABBMRYZQWQLDI-ZDUSSCGKSA-N 3 0 254.378 -0.571 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2N)[C@@H](C)C1 ZINC001221409530 825185307 /nfs/dbraw/zinc/18/53/07/825185307.db2.gz OSQYEBRINRIXBZ-ZDEQEGDKSA-N 2 0 268.405 -0.232 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2N)[C@@H](C)C1 ZINC001221409527 825185332 /nfs/dbraw/zinc/18/53/32/825185332.db2.gz OSQYEBRINRIXBZ-CYDGBPFRSA-N 2 0 268.405 -0.232 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221415111 825186538 /nfs/dbraw/zinc/18/65/38/825186538.db2.gz XSJSRUYWBACPFP-TZMCWYRMSA-N 2 0 267.373 -0.131 20 0 CBADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001221411707 825187607 /nfs/dbraw/zinc/18/76/07/825187607.db2.gz XOYRHIQTSUPMHF-GRYCIOLGSA-N 2 0 253.346 -0.929 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)C1 ZINC001221411416 825187631 /nfs/dbraw/zinc/18/76/31/825187631.db2.gz WBYZVHCCHPMEAU-WOPDTQHZSA-N 2 0 252.362 -0.820 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221414845 825187905 /nfs/dbraw/zinc/18/79/05/825187905.db2.gz UDDOLCLTHLSYBZ-SDDRHHMPSA-N 2 0 252.362 -0.963 20 0 CBADRP CC[C@H](C(N)=O)N1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791234 825194184 /nfs/dbraw/zinc/19/41/84/825194184.db2.gz CAEULVABHQXKSQ-JHJVBQTASA-N 2 0 296.415 -0.265 20 0 CBADRP COCC[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946859 825197548 /nfs/dbraw/zinc/19/75/48/825197548.db2.gz GIILIWVUQUCFHH-ZIAGYGMSSA-N 2 0 299.415 -0.256 20 0 CBADRP [NH3+]C12CC(C[N@@H+]3CCNC4(CC[NH2+]CC4)C3)(C1)C2 ZINC001222086054 825198696 /nfs/dbraw/zinc/19/86/96/825198696.db2.gz RNBZNTAFJWUQFU-UHFFFAOYSA-N 3 0 250.390 -0.105 20 0 CBADRP O=C1CC[C@H](C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)N1 ZINC001222085933 825198828 /nfs/dbraw/zinc/19/88/28/825198828.db2.gz PNQAKMRHIMLHND-LLVKDONJSA-N 2 0 252.362 -0.708 20 0 CBADRP Cn1c(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cccc1=O ZINC001222109253 825200387 /nfs/dbraw/zinc/20/03/87/825200387.db2.gz COMIYDTWKBKPCE-UHFFFAOYSA-N 2 0 276.384 -0.087 20 0 CBADRP c1nc2n(c1C[N@@H+]1CCNC3(CC[NH2+]CC3)C1)CCNC2 ZINC001222109841 825201561 /nfs/dbraw/zinc/20/15/61/825201561.db2.gz QCIKMWNMMSWQFJ-UHFFFAOYSA-N 2 0 290.415 -0.486 20 0 CBADRP CCOC(=O)[C@@H]1CC2(CN1CC[NH3+])CC[NH2+]CC2 ZINC001222215308 825205064 /nfs/dbraw/zinc/20/50/64/825205064.db2.gz BQTMMWOAWUPEAP-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001223917000 825232927 /nfs/dbraw/zinc/23/29/27/825232927.db2.gz YTEDGDOXLMWMEP-KGLIPLIRSA-N 2 0 299.415 -0.520 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC2CC[NH+](CC(N)=O)CC2)C1 ZINC001224560769 825243526 /nfs/dbraw/zinc/24/35/26/825243526.db2.gz XDAKVJQFXWNMPA-GFCCVEGCSA-N 2 0 296.415 -0.358 20 0 CBADRP CC[NH+](CC)CC(=O)NCC1CC[NH+](CC(=O)NC)CC1 ZINC001224903983 825250519 /nfs/dbraw/zinc/25/05/19/825250519.db2.gz DTKIQELYTFCLID-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1CC[NH+](CC(=O)NC)CC1 ZINC001225087314 825252873 /nfs/dbraw/zinc/25/28/73/825252873.db2.gz ASIUYOVVVPQMCP-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001225345668 825256579 /nfs/dbraw/zinc/25/65/79/825256579.db2.gz CHDUJEBRLKAAGV-UPJWGTAASA-N 2 0 296.415 -0.156 20 0 CBADRP COC[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001226555136 825280718 /nfs/dbraw/zinc/28/07/18/825280718.db2.gz SSOVXFJJUBDUSG-ZIAGYGMSSA-N 2 0 299.415 -0.332 20 0 CBADRP COC[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001226554887 825280924 /nfs/dbraw/zinc/28/09/24/825280924.db2.gz SSOVXFJJUBDUSG-KGLIPLIRSA-N 2 0 299.415 -0.332 20 0 CBADRP COC[C@H](O)C[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228999057 825326023 /nfs/dbraw/zinc/32/60/23/825326023.db2.gz MXJZINQADCTUJZ-CYBMUJFWSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H](O)C[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228999684 825326114 /nfs/dbraw/zinc/32/61/14/825326114.db2.gz UBFHGMAGQJICDS-LLVKDONJSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CCC(=O)NC1CC[NH+](CCOCCO)CC1 ZINC001228999299 825326300 /nfs/dbraw/zinc/32/63/00/825326300.db2.gz RCXQLAGDIPURIH-UHFFFAOYSA-N 2 0 287.404 -0.472 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001229230396 825329607 /nfs/dbraw/zinc/32/96/07/825329607.db2.gz GSMBGGCBEIGNQY-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@@H](C(=O)NC1CC[NH+](CCO)CC1)[NH+](C)C ZINC001229253676 825330131 /nfs/dbraw/zinc/33/01/31/825330131.db2.gz JVQMJLHBWHFHQB-LBPRGKRZSA-N 2 0 257.378 -0.101 20 0 CBADRP C(CN1CCNC[C@@]12CC[NH2+]C2)[C@@H]1C[NH2+]CCO1 ZINC001234981588 825480292 /nfs/dbraw/zinc/48/02/92/825480292.db2.gz OTHVDCGYVYWFPY-OLZOCXBDSA-N 2 0 254.378 -0.998 20 0 CBADRP C[NH+]1CCC(CN2CCNC[C@]23CC[NH2+]C3)CC1 ZINC001234982279 825480307 /nfs/dbraw/zinc/48/03/07/825480307.db2.gz RXCNMQQSWMULGD-CQSZACIVSA-N 2 0 252.406 -0.035 20 0 CBADRP C[N@@H+]1CCC[C@@H](CN2CCNC[C@]23CC[NH2+]C3)C1 ZINC001234982552 825481026 /nfs/dbraw/zinc/48/10/26/825481026.db2.gz UUFVTJFXFGQOSE-ZIAGYGMSSA-N 2 0 252.406 -0.035 20 0 CBADRP CC1(C)[NH2+][C@@H](CCN2CCN[C@]3(CC[NH2+]C3)C2)CO1 ZINC001235050892 825484044 /nfs/dbraw/zinc/48/40/44/825484044.db2.gz GJQDDWXZEIGFHE-JSGCOSHPSA-N 2 0 268.405 -0.262 20 0 CBADRP CC(=O)N1CCC[C@H](C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001235053524 825485599 /nfs/dbraw/zinc/48/55/99/825485599.db2.gz UJNRSLFKXKEWQD-CABCVRRESA-N 2 0 280.416 -0.118 20 0 CBADRP [NH3+]CCCCN1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001235173653 825487090 /nfs/dbraw/zinc/48/70/90/825487090.db2.gz DJRWKLQDHBBNOM-CYBMUJFWSA-N 3 0 254.378 -0.331 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CCCO[C@]3(C[NH2+]CCOC3)C2)O1 ZINC001235197859 825489618 /nfs/dbraw/zinc/48/96/18/825489618.db2.gz LGLQUZKOEBOGOI-DZGCQCFKSA-N 2 0 299.415 -0.208 20 0 CBADRP C[C@H]([NH3+])CN1CCC(C(=O)N2CC[NH2+]CC2)CC1 ZINC001235298538 825491891 /nfs/dbraw/zinc/49/18/91/825491891.db2.gz HDTFBNWCBPDWPQ-NSHDSACASA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@H](C(N)=O)N1CC[C@@H]1CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001235395933 825494623 /nfs/dbraw/zinc/49/46/23/825494623.db2.gz YYGUWEUVYLWJPX-DGCLKSJQSA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@H]([NH3+])CN1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001235519546 825499414 /nfs/dbraw/zinc/49/94/14/825499414.db2.gz XRDBWWMOTKSYFD-XQQFMLRXSA-N 2 0 277.372 -0.039 20 0 CBADRP CNC(=O)CN1C(=O)CC[C@@]12CCC[N@H+](CCCC[NH3+])C2 ZINC001235520098 825500885 /nfs/dbraw/zinc/50/08/85/825500885.db2.gz ZASWBLVTNLESRW-OAHLLOKOSA-N 2 0 296.415 -0.072 20 0 CBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(CC[NH3+])CC2 ZINC001235569579 825505248 /nfs/dbraw/zinc/50/52/48/825505248.db2.gz RGSKHAJMWUKHCH-UHFFFAOYSA-N 2 0 297.447 -0.885 20 0 CBADRP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CCC[C@@H](C[NH3+])C3)[C@@H](O)[C@@H]2O1 ZINC001235674323 825512056 /nfs/dbraw/zinc/51/20/56/825512056.db2.gz RPPAATRXCRIFIW-WJTVCTBASA-N 2 0 286.372 -0.106 20 0 CBADRP OC[C@H]1CN(C[C@@H]2Cc3ccccc3C[NH2+]2)CC[NH2+]1 ZINC001235752662 825513733 /nfs/dbraw/zinc/51/37/33/825513733.db2.gz PLFCWFSXSXPCGR-LSDHHAIUSA-N 2 0 261.369 -0.033 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN(C[C@H]2CCCC[NH2+]2)C1 ZINC001235775788 825513751 /nfs/dbraw/zinc/51/37/51/825513751.db2.gz RQMKOODZFOWBLL-IJLUTSLNSA-N 2 0 255.362 -0.049 20 0 CBADRP C([C@H]1CCOC1)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235864089 825515704 /nfs/dbraw/zinc/51/57/04/825515704.db2.gz CHCMFKVWZOBYGF-CYBMUJFWSA-N 2 0 256.394 -0.893 20 0 CBADRP Clc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)nn1 ZINC001235868723 825515622 /nfs/dbraw/zinc/51/56/22/825515622.db2.gz AONKWXSRBGROLV-UHFFFAOYSA-N 2 0 298.822 -0.286 20 0 CBADRP COc1ccncc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869513 825515727 /nfs/dbraw/zinc/51/57/27/825515727.db2.gz CADSNOGMCCUKHK-UHFFFAOYSA-N 2 0 293.415 -0.325 20 0 CBADRP Fc1cccc(CN2CC[NH2+]CCNCC[NH2+]CC2)n1 ZINC001235869867 825515825 /nfs/dbraw/zinc/51/58/25/825515825.db2.gz JFRSOXSYUCKNKZ-UHFFFAOYSA-N 2 0 281.379 -0.195 20 0 CBADRP Cc1c[nH]c(CN2CC[NH2+]CCNCC[NH2+]CC2)n1 ZINC001235870949 825516545 /nfs/dbraw/zinc/51/65/45/825516545.db2.gz MILSALAFDLBKLH-UHFFFAOYSA-N 2 0 266.393 -0.697 20 0 CBADRP Cc1ncc(CN2CC[NH2+]CCNCC[NH2+]CC2)n1C ZINC001235870085 825516477 /nfs/dbraw/zinc/51/64/77/825516477.db2.gz NKOHSFKCEAQQER-UHFFFAOYSA-N 2 0 280.420 -0.687 20 0 CBADRP Fc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cn1 ZINC001235871514 825516554 /nfs/dbraw/zinc/51/65/54/825516554.db2.gz SLJJRIJIOYRIOR-UHFFFAOYSA-N 2 0 281.379 -0.195 20 0 CBADRP C[NH+]1CCC(CN2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001235871078 825516598 /nfs/dbraw/zinc/51/65/98/825516598.db2.gz SMLSRIUVIXPMRX-UHFFFAOYSA-N 3 0 283.464 -0.587 20 0 CBADRP c1ncc(CN2CC[NH2+]CCNCC[NH2+]CC2)o1 ZINC001235871430 825516680 /nfs/dbraw/zinc/51/66/80/825516680.db2.gz UUXRQTDGVWRGND-UHFFFAOYSA-N 2 0 253.350 -0.741 20 0 CBADRP C[N@@H+]1CCC[C@@H](CN2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001235871791 825516893 /nfs/dbraw/zinc/51/68/93/825516893.db2.gz XKEGAQGBXZVSIA-OAHLLOKOSA-N 3 0 283.464 -0.587 20 0 CBADRP Nc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cn1 ZINC001235871158 825516949 /nfs/dbraw/zinc/51/69/49/825516949.db2.gz QHRXILMBWGLFAR-UHFFFAOYSA-N 2 0 278.404 -0.752 20 0 CBADRP Nc1cc[nH+]cc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871600 825517091 /nfs/dbraw/zinc/51/70/91/825517091.db2.gz UFHWSOLCGGXJQB-UHFFFAOYSA-N 3 0 278.404 -0.921 20 0 CBADRP c1nc(CN2CC[NH2+]CCNCC[NH2+]CC2)cs1 ZINC001235870288 825517112 /nfs/dbraw/zinc/51/71/12/825517112.db2.gz JVPMFMYINBZLMM-UHFFFAOYSA-N 2 0 269.418 -0.273 20 0 CBADRP C([C@H]1CCCOC1)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235870155 825517120 /nfs/dbraw/zinc/51/71/20/825517120.db2.gz ODRGZMUMEKBNEV-CQSZACIVSA-N 2 0 270.421 -0.503 20 0 CBADRP C[N@H+]1C[C@H]2CN(C[C@@H]3O[C@H]4OC(C)(C)O[C@H]4[C@@H]3O)C[C@H]2C1 ZINC001235959013 825518073 /nfs/dbraw/zinc/51/80/73/825518073.db2.gz OYKCHQDOBRRHPA-IIEFLBBWSA-N 2 0 298.383 -0.283 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235916724 825518746 /nfs/dbraw/zinc/51/87/46/825518746.db2.gz PZZBAAYNONSXSQ-UTLUCORTSA-N 2 0 257.334 -0.715 20 0 CBADRP [NH3+]CCN(CC[NH3+])Cc1ccc(N2CC[NH2+]CC2)nc1 ZINC001235879282 825518781 /nfs/dbraw/zinc/51/87/81/825518781.db2.gz BGQWFCIXQFAZOQ-UHFFFAOYSA-N 3 0 278.404 -0.789 20 0 CBADRP COCC[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236024298 825519182 /nfs/dbraw/zinc/51/91/82/825519182.db2.gz YKVUATRBPLHALG-CZXHOFHRSA-N 2 0 268.357 -0.037 20 0 CBADRP CCOC(=O)[C@]12CN(C[C@H]3C[NH2+]CCO3)C[C@H]1C[NH2+]CC2 ZINC001236037005 825519406 /nfs/dbraw/zinc/51/94/06/825519406.db2.gz CCHVFCSOOLUETL-UMVBOHGHSA-N 2 0 297.399 -0.551 20 0 CBADRP C[NH2+]CCC[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236022605 825519556 /nfs/dbraw/zinc/51/95/56/825519556.db2.gz LNBPLFFJULQMGP-COMQUAJESA-N 3 0 281.400 -0.074 20 0 CBADRP [NH3+][C@]12CC[C@@H]1CN(Cc1cnc3n1CC[NH2+]CC3)C2 ZINC001235978398 825519936 /nfs/dbraw/zinc/51/99/36/825519936.db2.gz JCNXYLIOTXFVTL-RISCZKNCSA-N 2 0 261.373 -0.048 20 0 CBADRP CCOC(=O)C[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236021147 825520281 /nfs/dbraw/zinc/52/02/81/825520281.db2.gz HZHRLYODRLEAOS-ZAZJYDDPSA-N 2 0 296.367 -0.120 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236044133 825521236 /nfs/dbraw/zinc/52/12/36/825521236.db2.gz JWTDEQRBZYAERZ-RYUDHWBXSA-N 2 0 257.378 -0.027 20 0 CBADRP NC(=O)C1CC[NH+](C2CCN(CC[NH3+])CC2)CC1 ZINC001236040358 825521746 /nfs/dbraw/zinc/52/17/46/825521746.db2.gz BMKPKLRYGHLKTP-UHFFFAOYSA-N 2 0 254.378 -0.393 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001236194206 825523284 /nfs/dbraw/zinc/52/32/84/825523284.db2.gz DERADTCTEYALAE-DCAQKATOSA-N 2 0 271.361 -0.324 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc2n1CC[NH2+]C2 ZINC001236199779 825524497 /nfs/dbraw/zinc/52/44/97/825524497.db2.gz ZGKGZBVEEDQWJW-GWCFXTLKSA-N 2 0 278.356 -0.334 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1CC1(F)CC[NH2+]CC1 ZINC001236198532 825524568 /nfs/dbraw/zinc/52/45/68/825524568.db2.gz WLWIVSPZQHEHLU-ZJUUUORDSA-N 2 0 259.325 -0.347 20 0 CBADRP COC(=O)[C@H]1CN(Cc2ccc3n2CC[NH2+]C3)C[C@@H]1[NH3+] ZINC001236344395 825528079 /nfs/dbraw/zinc/52/80/79/825528079.db2.gz BRXGVPBIWADWMK-STQMWFEESA-N 2 0 278.356 -0.477 20 0 CBADRP COC(=O)[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)C[C@H]1N ZINC001236346207 825529468 /nfs/dbraw/zinc/52/94/68/825529468.db2.gz YFQUHCDSPWGMJI-VXGBXAGGSA-N 2 0 255.362 -0.240 20 0 CBADRP C[NH+]1CCN(C2CN(C[C@@H]3C[NH2+]C(C)(C)O3)C2)CC1 ZINC001236351490 825531363 /nfs/dbraw/zinc/53/13/63/825531363.db2.gz FXNUUYHDKIGXAX-ZDUSSCGKSA-N 2 0 268.405 -0.358 20 0 CBADRP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001236818941 825534121 /nfs/dbraw/zinc/53/41/21/825534121.db2.gz LDDMLMKGROMBMM-QSAXWINLSA-N 2 0 298.383 -0.107 20 0 CBADRP CC(=O)N1CC2(C1)C[N@@H+](CCCC[NH3+])C[C@@H]2C(=O)N(C)C ZINC001237180427 825535526 /nfs/dbraw/zinc/53/55/26/825535526.db2.gz PHTCMAZDFWRRCB-CYBMUJFWSA-N 2 0 296.415 -0.406 20 0 CBADRP [NH3+]CCOc1ccc(NS(=O)(=O)CC[NH3+])cc1 ZINC001237692606 825542427 /nfs/dbraw/zinc/54/24/27/825542427.db2.gz QGEVRAZZGDOHCR-UHFFFAOYSA-N 2 0 259.331 -0.276 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNS(=O)(=O)C2CC[NH2+]CC2)C1 ZINC001238109942 825547196 /nfs/dbraw/zinc/54/71/96/825547196.db2.gz OMHBQSSJPHTAPI-QWRGUYRKSA-N 2 0 275.418 -0.097 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNS(=O)(=O)[C@H]2CC[NH2+]C2)C1 ZINC001238110969 825547218 /nfs/dbraw/zinc/54/72/18/825547218.db2.gz SWICNNPKFFTQFY-AXFHLTTASA-N 2 0 261.391 -0.487 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1CNS(=O)(=O)C1CC[NH2+]CC1 ZINC001238169560 825548994 /nfs/dbraw/zinc/54/89/94/825548994.db2.gz LGAFDTATEPCNEJ-GHMZBOCLSA-N 2 0 275.418 -0.097 20 0 CBADRP COCCS(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238239540 825549189 /nfs/dbraw/zinc/54/91/89/825549189.db2.gz DGFUABUJEFKWDB-LLVKDONJSA-N 2 0 291.417 -0.574 20 0 CBADRP [NH3+]CCS(=O)(=O)N[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001238216964 825549350 /nfs/dbraw/zinc/54/93/50/825549350.db2.gz BIZCGRYVLNOUQK-SNVBAGLBSA-N 2 0 261.391 -0.213 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001238222203 825549382 /nfs/dbraw/zinc/54/93/82/825549382.db2.gz RKEZTKHQKQCWDK-LLVKDONJSA-N 2 0 291.417 -0.587 20 0 CBADRP CCS(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238241733 825549667 /nfs/dbraw/zinc/54/96/67/825549667.db2.gz KYDWVEBWNFUTMI-SNVBAGLBSA-N 2 0 261.391 -0.200 20 0 CBADRP O=S(=O)(NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1cn[nH]c1 ZINC001238242730 825550457 /nfs/dbraw/zinc/55/04/57/825550457.db2.gz QEUNWRJMDLPZGT-SNVBAGLBSA-N 2 0 299.400 -0.438 20 0 CBADRP O=S(=O)(NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1c[nH]cn1 ZINC001238244256 825550634 /nfs/dbraw/zinc/55/06/34/825550634.db2.gz ZDOUPGQFHZJUET-JTQLQIEISA-N 2 0 299.400 -0.438 20 0 CBADRP [NH3+]CCS(=O)(=O)NCC[C@@H]1CCOC12CC[NH2+]CC2 ZINC001238276698 825550960 /nfs/dbraw/zinc/55/09/60/825550960.db2.gz MAAFOCRGIAHOTA-LLVKDONJSA-N 2 0 291.417 -0.587 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NCC[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001238328722 825551551 /nfs/dbraw/zinc/55/15/51/825551551.db2.gz UASJWKLOTRPQBC-XYYAHUGASA-N 2 0 287.429 -0.239 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@H]1CC[NH2+]C[C@H]1F ZINC001238500742 825554529 /nfs/dbraw/zinc/55/45/29/825554529.db2.gz QCUHFZMRKFWLGI-VXGBXAGGSA-N 2 0 293.408 -0.147 20 0 CBADRP [NH3+][C@H]1CCC[C@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238583491 825555866 /nfs/dbraw/zinc/55/58/66/825555866.db2.gz SYRWVTQWOPXRLW-WDEREUQCSA-N 2 0 261.391 -0.215 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001238597234 825557449 /nfs/dbraw/zinc/55/74/49/825557449.db2.gz UEPUMJYMCBYQCG-LBPRGKRZSA-N 2 0 269.370 -0.421 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001238748993 825563044 /nfs/dbraw/zinc/56/30/44/825563044.db2.gz ROEXPZDWKBDEOI-RYUDHWBXSA-N 2 0 284.385 -0.390 20 0 CBADRP C[C@@]1([NH3+])C[C@H](NS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001238880746 825568439 /nfs/dbraw/zinc/56/84/39/825568439.db2.gz DCQKASNITHYFJX-PHIMTYICSA-N 2 0 261.391 -0.215 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1C=C[C@@H]2C[NH2+]C[C@H]12 ZINC001238893122 825569213 /nfs/dbraw/zinc/56/92/13/825569213.db2.gz ZYWIUDCXVAUXKF-FRRDWIJNSA-N 2 0 285.413 -0.321 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H](C1CC1)C1C[NH2+]C1 ZINC001238916484 825572781 /nfs/dbraw/zinc/57/27/81/825572781.db2.gz XVTVIOVWZRXKQK-CYBMUJFWSA-N 2 0 287.429 -0.097 20 0 CBADRP C[C@@H]1CC[NH2+]CCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC001238934443 825573685 /nfs/dbraw/zinc/57/36/85/825573685.db2.gz CAVNHHZSQJQOFJ-LLVKDONJSA-N 2 0 275.418 0.000 20 0 CBADRP C[C@@]1([NH3+])CCCN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC001238937279 825574063 /nfs/dbraw/zinc/57/40/63/825574063.db2.gz UJHBPACFRLAUAC-GHMZBOCLSA-N 2 0 261.391 -0.119 20 0 CBADRP [NH3+][C@H]1CN(S(=O)(=O)[C@H]2CC[NH2+]C2)CC(F)(F)C1 ZINC001238962222 825577000 /nfs/dbraw/zinc/57/70/00/825577000.db2.gz FLOSNCXVZJZABI-SFYZADRCSA-N 2 0 269.317 -0.654 20 0 CBADRP [NH3+][C@@H]1CCN(S(=O)(=O)[C@H]2CC[NH2+]C2)CC[C@@H]1F ZINC001238962296 825577114 /nfs/dbraw/zinc/57/71/14/825577114.db2.gz GQZAAKKCJLKNQR-LPEHRKFASA-N 2 0 265.354 -0.561 20 0 CBADRP C[C@@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001238957788 825577213 /nfs/dbraw/zinc/57/72/13/825577213.db2.gz ZPRCAGVZFRXWMZ-ZYHUDNBSSA-N 2 0 275.418 -0.015 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001238955877 825577611 /nfs/dbraw/zinc/57/76/11/825577611.db2.gz WHRNYUDDXGOLRT-SSDOTTSWSA-N 2 0 257.306 -0.809 20 0 CBADRP C[C@@H]1C[NH2+]CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001238967835 825578086 /nfs/dbraw/zinc/57/80/86/825578086.db2.gz UYOXKXUHVVJCRA-LLVKDONJSA-N 2 0 275.418 -0.143 20 0 CBADRP [NH3+][C@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)CC(F)(F)C1 ZINC001238963589 825578277 /nfs/dbraw/zinc/57/82/77/825578277.db2.gz VJQRZOPBYWJTBH-MRVPVSSYSA-N 2 0 283.344 -0.264 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCCC[C@@](F)(C[NH3+])C1 ZINC001238968443 825578336 /nfs/dbraw/zinc/57/83/36/825578336.db2.gz ISKPFTXNMPGEKZ-SECBINFHSA-N 2 0 253.343 -0.572 20 0 CBADRP [NH3+][C@@H]1C[C@@H](F)CN(S(=O)(=O)[C@@H]2CC[NH2+]C2)C1 ZINC001238970180 825579891 /nfs/dbraw/zinc/57/98/91/825579891.db2.gz HQYOMMWEVPIHJT-IWSPIJDZSA-N 2 0 251.327 -0.951 20 0 CBADRP [NH3+]C[C@@H]1CCCCN(S(=O)(=O)[C@@H]2CC[NH2+]C2)C1 ZINC001238983868 825580462 /nfs/dbraw/zinc/58/04/62/825580462.db2.gz NCLIPEGENXFIKQ-WDEREUQCSA-N 2 0 261.391 -0.261 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C)N1S(=O)(=O)CC1CC[NH2+]CC1 ZINC001238985460 825580971 /nfs/dbraw/zinc/58/09/71/825580971.db2.gz CUVHQGGOOYIBHR-PHIMTYICSA-N 2 0 275.418 -0.002 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCC[C@@]12CCC[NH2+]CC2 ZINC001239004224 825582096 /nfs/dbraw/zinc/58/20/96/825582096.db2.gz WVSHRTUWPONJIH-LLVKDONJSA-N 2 0 261.391 -0.117 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCC2(C[NH2+]C2)C1 ZINC001239027090 825582961 /nfs/dbraw/zinc/58/29/61/825582961.db2.gz NJOKPGUXHVRSSV-UHFFFAOYSA-N 2 0 273.402 -0.389 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCC(OC2CC[NH2+]CC2)CC1 ZINC001239057523 825584209 /nfs/dbraw/zinc/58/42/09/825584209.db2.gz JLJISTHHHPQZEW-UHFFFAOYSA-N 2 0 291.417 -0.492 20 0 CBADRP CC(C)C[C@H]1CN(S(=O)(=O)[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001239096643 825586220 /nfs/dbraw/zinc/58/62/20/825586220.db2.gz GEBCHWWMPAFIOR-RYUDHWBXSA-N 2 0 275.418 -0.002 20 0 CBADRP [NH3+][C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CC[C@H]1F ZINC001239097847 825586836 /nfs/dbraw/zinc/58/68/36/825586836.db2.gz KRPGTVINQYKNGF-MNOVXSKESA-N 2 0 279.381 -0.313 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]1)S(=O)(=O)C1CC[NH2+]CC1 ZINC001239115009 825589752 /nfs/dbraw/zinc/58/97/52/825589752.db2.gz JQENVSAUEYETHL-JTQLQIEISA-N 2 0 261.391 -0.248 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001239110383 825590248 /nfs/dbraw/zinc/59/02/48/825590248.db2.gz GFMZORWJCNHFDI-PWSUYJOCSA-N 2 0 275.418 -0.015 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2C[NH2+][C@H]2C1 ZINC001239127287 825591055 /nfs/dbraw/zinc/59/10/55/825591055.db2.gz CUYUKUKXRCHMQG-MNOVXSKESA-N 2 0 259.375 -0.781 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@@H]2C[NH2+]C[C@H]21 ZINC001239130929 825592090 /nfs/dbraw/zinc/59/20/90/825592090.db2.gz OSKMRSARSRCFJE-WDEREUQCSA-N 2 0 259.375 -0.781 20 0 CBADRP [NH3+]CCS(=O)(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001239147631 825595045 /nfs/dbraw/zinc/59/50/45/825595045.db2.gz HFZJVCQXPHAFER-ZDUSSCGKSA-N 2 0 298.412 -0.076 20 0 CBADRP CN1CCN(S(=O)(=O)CC[NH3+])C2(CCCC2)C1 ZINC001239168138 825595163 /nfs/dbraw/zinc/59/51/63/825595163.db2.gz RMHXWFNXLZQIOI-UHFFFAOYSA-N 2 0 261.391 -0.165 20 0 CBADRP C[NH+](C)CCNC(=S)NC[C@@H]1CC[NH2+]C[C@@H]1F ZINC001239397364 825603174 /nfs/dbraw/zinc/60/31/74/825603174.db2.gz MZJSWGVUKHJXFH-UWVGGRQHSA-N 2 0 262.398 -0.040 20 0 CBADRP C[NH+](C)CCNC(=S)N1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001239441665 825605402 /nfs/dbraw/zinc/60/54/02/825605402.db2.gz CQOODBPTNJOXRN-ZACCUICWSA-N 2 0 272.418 -0.672 20 0 CBADRP c1nc(N2CC[NH2+]CC2)ncc1-c1ncc2c(n1)CC[NH2+]C2 ZINC001241894469 825609277 /nfs/dbraw/zinc/60/92/77/825609277.db2.gz BAGXTNPGRFZHRA-UHFFFAOYSA-N 2 0 297.366 -0.011 20 0 CBADRP O[C@H](C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F)C(F)(F)F ZINC001245973900 825616235 /nfs/dbraw/zinc/61/62/35/825616235.db2.gz LITKXXHNSLRRJB-XLPZGREQSA-N 2 0 260.231 -0.438 20 0 CBADRP [NH3+]C1(C[NH2+]C[C@@H](O)CC2(O)CC[NH2+]CC2)CCCC1 ZINC001245977743 825616351 /nfs/dbraw/zinc/61/63/51/825616351.db2.gz ZQHYPHBTEFBQTO-LBPRGKRZSA-N 3 0 271.405 -0.287 20 0 CBADRP COC(=O)[C@H](CCCC[NH3+])NCC1(O)CC[NH2+]CC1 ZINC001245978940 825616672 /nfs/dbraw/zinc/61/66/72/825616672.db2.gz PZQJUUQTSFXMNM-NSHDSACASA-N 2 0 273.377 -0.639 20 0 CBADRP [NH3+]C1(C[NH2+]C[C@H](O)CC2(O)CC[NH2+]CC2)CCCC1 ZINC001245977742 825616985 /nfs/dbraw/zinc/61/69/85/825616985.db2.gz ZQHYPHBTEFBQTO-GFCCVEGCSA-N 3 0 271.405 -0.287 20 0 CBADRP O[C@H](C[NH2+]C1CN(C2CC[NH2+]CC2)C1)C(F)(F)F ZINC001245991964 825617856 /nfs/dbraw/zinc/61/78/56/825617856.db2.gz WXQGDENSLXAGHT-SNVBAGLBSA-N 2 0 267.295 -0.065 20 0 CBADRP CC(C)(C)OC(=O)[C@H](CCC[NH3+])NC[C@]1(O)CC[NH2+]C1 ZINC001245982522 825618105 /nfs/dbraw/zinc/61/81/05/825618105.db2.gz FCISEMMBNCNLOK-FZMZJTMJSA-N 2 0 287.404 -0.250 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245983187 825618444 /nfs/dbraw/zinc/61/84/44/825618444.db2.gz NKPNVTXAPACIDG-MELADBBJSA-N 3 0 285.432 -0.170 20 0 CBADRP CCCOC[C@@H](O)C[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001245988883 825618579 /nfs/dbraw/zinc/61/85/79/825618579.db2.gz JKJWCFYQWOTQKK-AWEZNQCLSA-N 2 0 271.405 -0.200 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)C(F)(F)F ZINC001246010007 825620645 /nfs/dbraw/zinc/62/06/45/825620645.db2.gz VUKATSSSGMTDAS-BQBZGAKWSA-N 2 0 257.256 -0.518 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C(CCO)CCO ZINC001246005862 825621147 /nfs/dbraw/zinc/62/11/47/825621147.db2.gz ZFXHTQKNDLUGOI-LSDHHAIUSA-N 2 0 282.384 -0.360 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246010733 825621342 /nfs/dbraw/zinc/62/13/42/825621342.db2.gz ZMPZJSYJCXLGJX-RYUDHWBXSA-N 3 0 274.409 -0.738 20 0 CBADRP C[C@H]1C[N@H+](C[C@H](O)CN2CCOCC2)C[C@H]1C[NH3+] ZINC001246018225 825621904 /nfs/dbraw/zinc/62/19/04/825621904.db2.gz VFYXTPOOHFVGKA-YNEHKIRRSA-N 2 0 257.378 -0.794 20 0 CBADRP [NH3+]C[C@]1(F)CCC[N@H+](C[C@H](O)CN2CCOCC2)CC1 ZINC001246020392 825621938 /nfs/dbraw/zinc/62/19/38/825621938.db2.gz LATMQRUFGLBVOZ-KBPBESRZSA-N 2 0 289.395 -0.168 20 0 CBADRP CCCOC[C@H](O)C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246017361 825622271 /nfs/dbraw/zinc/62/22/71/825622271.db2.gz ASRQSIVUSLYFOD-CHWSQXEVSA-N 2 0 260.378 -0.050 20 0 CBADRP CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246020264 825622811 /nfs/dbraw/zinc/62/28/11/825622811.db2.gz KGSJXVANQMRXJG-AAEUAGOBSA-N 2 0 274.361 -0.524 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CN[C@@H](CCCC[NH3+])C(=O)NC ZINC001246019745 825623221 /nfs/dbraw/zinc/62/32/21/825623221.db2.gz MSMPQTADNMHBEC-STQMWFEESA-N 2 0 288.436 -0.478 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C[C@@H](O)COC(C)(C)C ZINC001246020378 825623255 /nfs/dbraw/zinc/62/32/55/825623255.db2.gz OTZDWPKVLKZJJP-NEPJUHHUSA-N 2 0 289.420 -0.004 20 0 CBADRP C[C@@]1([NH3+])CCC[N@H+](C[C@H](O)CN2CCOCC2)CC1 ZINC001246021608 825623618 /nfs/dbraw/zinc/62/36/18/825623618.db2.gz ODDNPPDPZAMAHY-UONOGXRCSA-N 2 0 271.405 -0.117 20 0 CBADRP [NH3+]C[C@]1(O)CCCC[N@H+](CC2(O)CC[NH2+]CC2)C1 ZINC001246024793 825623787 /nfs/dbraw/zinc/62/37/87/825623787.db2.gz RDOCTYLZBNSQBE-CYBMUJFWSA-N 3 0 257.378 -0.723 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246024603 825624345 /nfs/dbraw/zinc/62/43/45/825624345.db2.gz HXBCLRJTVDNNDL-UONOGXRCSA-N 2 0 270.421 -0.674 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)CN1CCCC[C@](O)(C[NH3+])C1 ZINC001246025793 825626143 /nfs/dbraw/zinc/62/61/43/825626143.db2.gz UPJVILCELYGGFC-OCCSQVGLSA-N 2 0 273.421 -0.089 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)CN1CCNC[C@]12CC[NH2+]C2 ZINC001246025204 825626156 /nfs/dbraw/zinc/62/61/56/825626156.db2.gz GORLHAZNUPQKSD-TZMCWYRMSA-N 2 0 270.421 -0.627 20 0 CBADRP [NH3+]C[C@@]1(O)CCCCN(C[C@]2(O)CCC[NH2+]C2)C1 ZINC001246025093 825626382 /nfs/dbraw/zinc/62/63/82/825626382.db2.gz SGFPXCOFHJAHON-STQMWFEESA-N 2 0 257.378 -0.723 20 0 CBADRP CC(C)OC[C@@H](O)C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246027932 825626735 /nfs/dbraw/zinc/62/67/35/825626735.db2.gz YXQPSVPBMUQPTM-STQMWFEESA-N 2 0 260.378 -0.052 20 0 CBADRP [NH3+]C[C@H]1CCCC[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246032079 825628133 /nfs/dbraw/zinc/62/81/33/825628133.db2.gz JAGXBSJJFLEVTD-KGLIPLIRSA-N 2 0 285.432 -0.087 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246053433 825630489 /nfs/dbraw/zinc/63/04/89/825630489.db2.gz OMHWDVIHMMBZNQ-ZQDZILKHSA-N 2 0 261.369 -0.179 20 0 CBADRP C(C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)CN1CCOCC1 ZINC001246067706 825632291 /nfs/dbraw/zinc/63/22/91/825632291.db2.gz WBLQKRRVJGGHNA-CYBMUJFWSA-N 2 0 268.405 -0.608 20 0 CBADRP C[C@@H]1CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC001246068045 825632499 /nfs/dbraw/zinc/63/24/99/825632499.db2.gz GLBRQPSNXPHRDK-XQQFMLRXSA-N 2 0 271.405 -0.466 20 0 CBADRP COC(=O)C1(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCOCC1 ZINC001246075878 825632877 /nfs/dbraw/zinc/63/28/77/825632877.db2.gz BNNHOCCHIIMXTI-GFCCVEGCSA-N 2 0 297.399 -0.360 20 0 CBADRP CC[C@]1(C(=O)OC)C[C@H]([NH2+][C@@H](C)CN2CC[NH2+]CC2)CN1 ZINC001246082937 825633280 /nfs/dbraw/zinc/63/32/80/825633280.db2.gz ZKYROZDRKRWEMS-KCQAQPDRSA-N 2 0 298.431 -0.447 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)CN2CC[NH2+]CC2)CN1 ZINC001246077804 825633561 /nfs/dbraw/zinc/63/35/61/825633561.db2.gz FWUMOCWVRBMORZ-MJBXVCDLSA-N 2 0 298.431 -0.447 20 0 CBADRP O[C@@]1(C[NH2+][C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]C[C@@H]1F ZINC001246079873 825633574 /nfs/dbraw/zinc/63/35/74/825633574.db2.gz FRJGRUGSQANSHH-FPYNETTCSA-N 3 0 257.353 -0.364 20 0 CBADRP C[C@H](CC(=O)N1CCOCC1)[NH2+]C1CC[NH2+]CC1 ZINC001246082166 825633617 /nfs/dbraw/zinc/63/36/17/825633617.db2.gz WLCMJBSBCQDCJW-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP O[C@@H](C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1ccco1 ZINC001246084357 825633736 /nfs/dbraw/zinc/63/37/36/825633736.db2.gz YQSDRGURFQGKRP-QWRGUYRKSA-N 2 0 251.330 -0.003 20 0 CBADRP O[C@@]1(C[NH2+]C2C[C@@H]3COC[C@H](C2)N3)CC[NH2+]C[C@@H]1F ZINC001246085980 825633808 /nfs/dbraw/zinc/63/38/08/825633808.db2.gz YRWQCKDYTICLOV-NTWDBFDFSA-N 2 0 273.352 -0.842 20 0 CBADRP O[C@@]1(C[NH2+][C@H]2CCC3(C[NH2+]C3)C2)CC[NH2+]C[C@@H]1F ZINC001246079375 825633831 /nfs/dbraw/zinc/63/38/31/825633831.db2.gz DXNHRWCLRYBHLM-GMXVVIOVSA-N 3 0 257.353 -0.219 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)CN2CC[NH2+]CC2)CN1 ZINC001246077801 825633877 /nfs/dbraw/zinc/63/38/77/825633877.db2.gz FWUMOCWVRBMORZ-IHRRRGAJSA-N 2 0 298.431 -0.447 20 0 CBADRP O=C1C[C@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246079893 825634085 /nfs/dbraw/zinc/63/40/85/825634085.db2.gz GBKJWLDFKQBPLA-GHMZBOCLSA-N 2 0 252.362 -0.804 20 0 CBADRP C(CCN1CC[NH2+]CC1)C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246090389 825634709 /nfs/dbraw/zinc/63/47/09/825634709.db2.gz WZQZNJAEUSNUKU-AWEZNQCLSA-N 3 0 281.448 -0.645 20 0 CBADRP O=C1CC[C@@H]2C[C@H]([NH2+]C[C@]3(O)CC[NH2+]C[C@@H]3F)CCN12 ZINC001246088044 825634765 /nfs/dbraw/zinc/63/47/65/825634765.db2.gz IDYMIDCXZOWMAM-NRWUCQMLSA-N 2 0 285.363 -0.208 20 0 CBADRP C(CN1CCCCO1)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246093666 825634905 /nfs/dbraw/zinc/63/49/05/825634905.db2.gz VTYCICLLRDRHDP-LBPRGKRZSA-N 2 0 254.378 -0.303 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC2(C(N)=O)CCOCC2)CC[NH2+]1 ZINC001246093529 825635073 /nfs/dbraw/zinc/63/50/73/825635073.db2.gz JESFQUAJXZYYSE-GHMZBOCLSA-N 2 0 255.362 -0.001 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CCCC[NH2+]C2)CN1 ZINC001246095527 825635117 /nfs/dbraw/zinc/63/51/17/825635117.db2.gz ITXCBTQMYDQULH-OBJOEFQTSA-N 2 0 285.388 -0.626 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CC2(C(N)=O)CCOCC2)CC[NH2+]1 ZINC001246093537 825635242 /nfs/dbraw/zinc/63/52/42/825635242.db2.gz JESFQUAJXZYYSE-QWRGUYRKSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC001246107986 825635652 /nfs/dbraw/zinc/63/56/52/825635652.db2.gz JOSKAXGIBLCIGS-VXGBXAGGSA-N 3 0 254.378 -0.462 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CCC(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC001246107984 825636244 /nfs/dbraw/zinc/63/62/44/825636244.db2.gz JOSKAXGIBLCIGS-RYUDHWBXSA-N 3 0 254.378 -0.462 20 0 CBADRP CN1CCO[C@@H](C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246102970 825636821 /nfs/dbraw/zinc/63/68/21/825636821.db2.gz RNHGKLYDAHEYFM-RYUDHWBXSA-N 2 0 254.378 -0.999 20 0 CBADRP O=C([C@@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)C[NH2+]1)N1CCSC1 ZINC001246122097 825637642 /nfs/dbraw/zinc/63/76/42/825637642.db2.gz GCPZNRHOXFDMLH-TUAOUCFPSA-N 2 0 284.429 -0.409 20 0 CBADRP CC[C@@]1(C(=O)OC)C[C@H]([NH2+]CCCN2CC[NH2+]CC2)CN1 ZINC001246116318 825637676 /nfs/dbraw/zinc/63/76/76/825637676.db2.gz YUBCFRBDIKRFCD-ZFWWWQNUSA-N 2 0 298.431 -0.445 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001246126058 825637743 /nfs/dbraw/zinc/63/77/43/825637743.db2.gz KGYVWUUWTGDOJM-KBPBESRZSA-N 3 0 294.443 -0.171 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[C@H]3C[NH2+]CCN3C2)CN1 ZINC001246128665 825637761 /nfs/dbraw/zinc/63/77/61/825637761.db2.gz OOPXIMHZOQJUGO-MQYQWHSLSA-N 2 0 296.415 -0.837 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1noc2c1C[NH2+]CC2 ZINC001246137306 825638506 /nfs/dbraw/zinc/63/85/06/825638506.db2.gz XZQKJSIEJBFPGX-JTQLQIEISA-N 3 0 277.372 -0.496 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]3C[C@H]2C[NH2+]3)CN1 ZINC001246136722 825638968 /nfs/dbraw/zinc/63/89/68/825638968.db2.gz WHEDLRYBBLYWCF-HTFCKZLJSA-N 2 0 253.346 -0.380 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CN1 ZINC001246135398 825639535 /nfs/dbraw/zinc/63/95/35/825639535.db2.gz SCEAQMCCBBXDEX-KVSVUVNWSA-N 2 0 283.372 -0.754 20 0 CBADRP C([NH2+][C@@H]1CCCNC1)[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001246141139 825639849 /nfs/dbraw/zinc/63/98/49/825639849.db2.gz COHMVANPWXOSMU-MCIONIFRSA-N 2 0 269.389 -0.277 20 0 CBADRP CC(C)[C@@H]1C[C@H](N[C@@]23CC[NH2+][C@H]2CC(=O)N3)CC[NH2+]1 ZINC001246142880 825640022 /nfs/dbraw/zinc/64/00/22/825640022.db2.gz HIXHEATVHDQYCM-OWTLIXCDSA-N 2 0 266.389 -0.069 20 0 CBADRP C([NH2+]C1CC[NH2+]CC1)[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001246141049 825640142 /nfs/dbraw/zinc/64/01/42/825640142.db2.gz CGMBBHJJVOLHQO-JSGCOSHPSA-N 3 0 269.389 -0.277 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)N1 ZINC001246143302 825640315 /nfs/dbraw/zinc/64/03/15/825640315.db2.gz HTARJGTUELLFFA-TUUDLNRNSA-N 2 0 250.346 -0.563 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@@H]1C[C@H]3C[NH2+]C[C@H]3C1)CCN2 ZINC001246145605 825641100 /nfs/dbraw/zinc/64/11/00/825641100.db2.gz PSJDRVBCEFWFPM-XQHKEYJVSA-N 3 0 250.390 -0.332 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@]3(CC[NH2+]C3)C2)CN1 ZINC001246149317 825641299 /nfs/dbraw/zinc/64/12/99/825641299.db2.gz SHWADMFJNCZPPI-OWTLIXCDSA-N 2 0 283.372 -0.609 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(N[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)N1 ZINC001246144354 825641421 /nfs/dbraw/zinc/64/14/21/825641421.db2.gz KSHPUPIOOJBDHZ-FBUUZDRASA-N 2 0 250.346 -0.848 20 0 CBADRP C[C@@H]1CC(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)C[C@@H](C)[NH2+]1 ZINC001246144497 825641605 /nfs/dbraw/zinc/64/16/05/825641605.db2.gz MPMSYVDLTBKDFD-MBJVOQIVSA-N 2 0 252.362 -0.317 20 0 CBADRP O=S1(=O)CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C12C[NH2+]C2 ZINC001246146876 825641660 /nfs/dbraw/zinc/64/16/60/825641660.db2.gz OLMKHLORKDZPPO-MBYGNEARSA-N 2 0 285.413 -0.612 20 0 CBADRP COC(=O)[C@H](CCCC[NH3+])NC1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001246149990 825642136 /nfs/dbraw/zinc/64/21/36/825642136.db2.gz DPRIYDHNHZBCEE-WVMKXHBISA-N 2 0 285.388 -0.234 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CC[C@@H]2[C@H]3C[NH2+]C[C@H]32)CN1 ZINC001246151410 825642617 /nfs/dbraw/zinc/64/26/17/825642617.db2.gz QTZQCTOPFPZFKN-JCIQBVFBSA-N 2 0 253.346 -0.665 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(N[C@H]2CCC3(C[NH2+]C3)C2)N1 ZINC001246154580 825643505 /nfs/dbraw/zinc/64/35/05/825643505.db2.gz VJFRTPNLXXMNDK-KWBADKCTSA-N 2 0 250.346 -0.704 20 0 CBADRP CC[NH+]1CCC(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)CC1 ZINC001246155481 825643716 /nfs/dbraw/zinc/64/37/16/825643716.db2.gz YSSSNQKZHMEZTP-WCQYABFASA-N 2 0 252.362 -0.362 20 0 CBADRP O=C(NCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1ccncc1 ZINC001246170804 825643984 /nfs/dbraw/zinc/64/39/84/825643984.db2.gz NMFAPHNBVVIMMF-ZDUSSCGKSA-N 2 0 289.383 -0.505 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246170413 825644460 /nfs/dbraw/zinc/64/44/60/825644460.db2.gz GRKOIJBNPKBKAC-IIRVCBMXSA-N 2 0 253.346 -0.523 20 0 CBADRP Cn1cc2c(n1)[C@H](C[NH2+][C@@H]1CCNC3(C[NH2+]C3)C1)OCC2 ZINC001246164119 825644821 /nfs/dbraw/zinc/64/48/21/825644821.db2.gz LXIFNEASKLLBKM-OLZOCXBDSA-N 2 0 291.399 -0.283 20 0 CBADRP O=C(C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)N1CCCC1 ZINC001246180474 825645509 /nfs/dbraw/zinc/64/55/09/825645509.db2.gz JZRFQODZCSFTCR-NSHDSACASA-N 2 0 252.362 -0.708 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CC2(F)CC[NH2+]CC2)CN1 ZINC001246180822 825645573 /nfs/dbraw/zinc/64/55/73/825645573.db2.gz PZAAPZTWBSFTQP-MNOVXSKESA-N 2 0 273.352 -0.039 20 0 CBADRP O=C(CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)NCc1ccco1 ZINC001246181291 825645694 /nfs/dbraw/zinc/64/56/94/825645694.db2.gz NKTPFIIZQPDXPZ-LBPRGKRZSA-N 2 0 292.383 -0.031 20 0 CBADRP COC(=O)C(C)(C)C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246176878 825646071 /nfs/dbraw/zinc/64/60/71/825646071.db2.gz YBJCBWCAIRCQSQ-SNVBAGLBSA-N 2 0 255.362 -0.131 20 0 CBADRP FC1(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246184408 825646984 /nfs/dbraw/zinc/64/69/84/825646984.db2.gz SEDMXAZUSICIJL-LLVKDONJSA-N 3 0 256.369 -0.238 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CC2(F)CC[NH2+]CC2)CN1 ZINC001246189404 825647919 /nfs/dbraw/zinc/64/79/19/825647919.db2.gz XYAWEQRLCVSQBJ-ZJUUUORDSA-N 2 0 259.325 -0.429 20 0 CBADRP OC1(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCOCC1 ZINC001246185798 825647989 /nfs/dbraw/zinc/64/79/89/825647989.db2.gz GRIGBWOMNKQROK-LLVKDONJSA-N 2 0 255.362 -0.789 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H](N(C(N)=[NH2+])C2CC[NH2+]CC2)CN1 ZINC001246193555 825648048 /nfs/dbraw/zinc/64/80/48/825648048.db2.gz HCAFXUVKDJPVCH-MNOVXSKESA-N 2 0 283.376 -0.773 20 0 CBADRP NC(=[NH2+])N(C1CC[NH2+]CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246198654 825649105 /nfs/dbraw/zinc/64/91/05/825649105.db2.gz TUTZLQWHFIKXGP-LLVKDONJSA-N 3 0 266.393 -0.972 20 0 CBADRP C(CN1CCSCC1)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246206018 825649189 /nfs/dbraw/zinc/64/91/89/825649189.db2.gz WHUZELJPPJVNHY-LBPRGKRZSA-N 2 0 270.446 -0.281 20 0 CBADRP Cc1ncc(CO)c(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)c1O ZINC001246206339 825649315 /nfs/dbraw/zinc/64/93/15/825649315.db2.gz ZOZULKPRCLYODL-GFCCVEGCSA-N 2 0 292.383 -0.228 20 0 CBADRP CCOC(=O)[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246201394 825649416 /nfs/dbraw/zinc/64/94/16/825649416.db2.gz PFWVOVMJAJAZPQ-UPJWGTAASA-N 2 0 296.415 -0.789 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CCOCCOCCOCCO)CC[NH2+]1 ZINC001246203745 825649932 /nfs/dbraw/zinc/64/99/32/825649932.db2.gz YHHWOQSKBLJNAS-KBPBESRZSA-N 2 0 290.404 -0.241 20 0 CBADRP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246210191 825651088 /nfs/dbraw/zinc/65/10/88/825651088.db2.gz IOSZEYOXVOXQRO-GMTAPVOTSA-N 2 0 273.402 -0.754 20 0 CBADRP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246210189 825651267 /nfs/dbraw/zinc/65/12/67/825651267.db2.gz IOSZEYOXVOXQRO-DCAQKATOSA-N 2 0 273.402 -0.754 20 0 CBADRP O=C1CC[C@@H](C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CN1 ZINC001246216978 825651641 /nfs/dbraw/zinc/65/16/41/825651641.db2.gz CRRIOGUTIMZXLG-QWRGUYRKSA-N 2 0 252.362 -0.804 20 0 CBADRP O=S1(=O)CCC([NH2+]C2CN(C3CC[NH2+]CC3)C2)CC1 ZINC001246213947 825651774 /nfs/dbraw/zinc/65/17/74/825651774.db2.gz GOTZRPMUCJTCPJ-UHFFFAOYSA-N 2 0 287.429 -0.411 20 0 CBADRP CCOC(=O)[C@H](CCC[NH3+])N[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246212649 825651876 /nfs/dbraw/zinc/65/18/76/825651876.db2.gz WTWZPSLEXVVKCX-NEPJUHHUSA-N 2 0 284.404 -0.659 20 0 CBADRP F[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246220726 825653008 /nfs/dbraw/zinc/65/30/08/825653008.db2.gz HQMTWHACNWKQKU-IJLUTSLNSA-N 3 0 256.369 -0.382 20 0 CBADRP O=S1(=O)CC[C@H](C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246236299 825654115 /nfs/dbraw/zinc/65/41/15/825654115.db2.gz VKGJAWMTRPIPNS-MNOVXSKESA-N 2 0 273.402 -0.895 20 0 CBADRP CC1(C)OCC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CO1 ZINC001246242735 825655081 /nfs/dbraw/zinc/65/50/81/825655081.db2.gz HAXBPRSADQSPCE-JTQLQIEISA-N 2 0 255.362 -0.179 20 0 CBADRP CC[NH+](CC)CCN(CC[NH3+])[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246240756 825655155 /nfs/dbraw/zinc/65/51/55/825655155.db2.gz OLBOVXAZIWWJHV-AWEZNQCLSA-N 3 0 283.464 -0.317 20 0 CBADRP [NH3+][C@H]1CCc2nn([C@H]3CCNC4(C[NH2+]C4)C3)cc2C1 ZINC001246241211 825655491 /nfs/dbraw/zinc/65/54/91/825655491.db2.gz YHVTZPWOSJSZGU-RYUDHWBXSA-N 2 0 261.373 -0.034 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@H]1CCOC3(CC[NH2+]CC3)C1)CCN2 ZINC001246258666 825656516 /nfs/dbraw/zinc/65/65/16/825656516.db2.gz XZUQGGPPIXJSHA-KGLIPLIRSA-N 3 0 294.443 -0.029 20 0 CBADRP O=C1CCC[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CN1 ZINC001246260991 825658178 /nfs/dbraw/zinc/65/81/78/825658178.db2.gz CHQVAHMSFAEXPD-WDEREUQCSA-N 2 0 252.362 -0.661 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH2+][C@H]1CC[NH2+][C@H](C)C1)C(N)=O ZINC001246266534 825658182 /nfs/dbraw/zinc/65/81/82/825658182.db2.gz CKFLADPIKPNCHF-WXHSDQCUSA-N 2 0 284.404 -0.123 20 0 CBADRP CN1CCOC[C@@H]1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246262639 825658472 /nfs/dbraw/zinc/65/84/72/825658472.db2.gz CYYBWSGJZGYFLR-RYUDHWBXSA-N 2 0 254.378 -0.999 20 0 CBADRP CC(=O)N1CC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246279295 825659749 /nfs/dbraw/zinc/65/97/49/825659749.db2.gz MLSGTDHPIPXFFP-RYUDHWBXSA-N 2 0 252.362 -0.709 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246291969 825660027 /nfs/dbraw/zinc/66/00/27/825660027.db2.gz WKJQIQROZCIFTG-KGLIPLIRSA-N 3 0 289.420 -0.275 20 0 CBADRP CC[C@@H]([NH3+])CN[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246310987 825663542 /nfs/dbraw/zinc/66/35/42/825663542.db2.gz BLQQCCVUQQLAGH-VWYCJHECSA-N 2 0 272.418 -0.423 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CCN2 ZINC001246309964 825663726 /nfs/dbraw/zinc/66/37/26/825663726.db2.gz CFWYPAXFSGVGRU-YVECIDJPSA-N 3 0 250.390 -0.047 20 0 CBADRP COC(=O)C1CC(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246319328 825664098 /nfs/dbraw/zinc/66/40/98/825664098.db2.gz WBXUOFKGLOHBSF-MCIGGMRASA-N 2 0 267.373 -0.131 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246322244 825664230 /nfs/dbraw/zinc/66/42/30/825664230.db2.gz SNFSFAOQDAXKBO-KKOKHZNYSA-N 2 0 255.362 -0.132 20 0 CBADRP CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246337296 825665097 /nfs/dbraw/zinc/66/50/97/825665097.db2.gz UEABIDPSVOJNIH-ZYHUDNBSSA-N 2 0 254.378 -0.558 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCO[C@]23CC[NH2+]C3)CN1 ZINC001246331172 825665410 /nfs/dbraw/zinc/66/54/10/825665410.db2.gz DKBLPEMGVWDQAK-CZXHOFHRSA-N 2 0 283.372 -0.609 20 0 CBADRP O=S1(=O)CCN(CCCN[C@@H]2CCC[NH2+]C2)CC1 ZINC001246332792 825665801 /nfs/dbraw/zinc/66/58/01/825665801.db2.gz IILJTIIYKBDBFQ-GFCCVEGCSA-N 2 0 275.418 -0.552 20 0 CBADRP O=S1(=O)CCN(CCCN[C@H]2CCC[NH2+]C2)CC1 ZINC001246332793 825665876 /nfs/dbraw/zinc/66/58/76/825665876.db2.gz IILJTIIYKBDBFQ-LBPRGKRZSA-N 2 0 275.418 -0.552 20 0 CBADRP CCOC(=O)[C@H](C)C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246353223 825667799 /nfs/dbraw/zinc/66/77/99/825667799.db2.gz KEUALLDBAXPQBM-GHMZBOCLSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@H]1C[C@@H](NCCN(CC[NH3+])N(O)N=O)CC[NH2+]1 ZINC001246353149 825668221 /nfs/dbraw/zinc/66/82/21/825668221.db2.gz UQYLVZUCCCJBEN-UWVGGRQHSA-N 2 0 260.342 -0.735 20 0 CBADRP COC(=O)N1CCC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246361202 825668736 /nfs/dbraw/zinc/66/87/36/825668736.db2.gz XABAKBMADZDPGT-GFCCVEGCSA-N 2 0 282.388 -0.099 20 0 CBADRP COCCN1CCC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246358837 825668842 /nfs/dbraw/zinc/66/88/42/825668842.db2.gz JLIFINZDAVWDQT-CQSZACIVSA-N 2 0 282.432 -0.219 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CC[NH2+]CC3)C2)CN1 ZINC001246368469 825669368 /nfs/dbraw/zinc/66/93/68/825669368.db2.gz CKFNQOLEURCSGF-DYEKYZERSA-N 2 0 296.415 -0.694 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@H]1CCN(C3CC[NH2+]CC3)C1)CCN2 ZINC001246372465 825670438 /nfs/dbraw/zinc/67/04/38/825670438.db2.gz LZBPVGMXMJYKKM-KGLIPLIRSA-N 3 0 293.459 -0.504 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+]C1CCN([C@@H]3CC[NH2+]C3)CC1)CCN2 ZINC001246370737 825670500 /nfs/dbraw/zinc/67/05/00/825670500.db2.gz GQIXERGFDMFUBG-HUUCEWRRSA-N 3 0 293.459 -0.504 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C2CCN([C@H]3CC[NH2+]C3)CC2)CN1 ZINC001246370703 825670783 /nfs/dbraw/zinc/67/07/83/825670783.db2.gz GEWDGHGHGJGOEW-IHRRRGAJSA-N 2 0 296.415 -0.694 20 0 CBADRP [NH3+]CCNCC[NH2+][C@@H]1CCN[C@@H](C(F)(F)F)C1 ZINC001246406259 825671307 /nfs/dbraw/zinc/67/13/07/825671307.db2.gz SLNUBVSCTYIWQR-RKDXNWHRSA-N 2 0 254.300 -0.193 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)C1 ZINC001246413001 825671626 /nfs/dbraw/zinc/67/16/26/825671626.db2.gz DMEJFPQWRTTXTM-VWYCJHECSA-N 2 0 271.361 -0.099 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001246405421 825671766 /nfs/dbraw/zinc/67/17/66/825671766.db2.gz OTYFAYPNTFSICX-UTUOFQBUSA-N 2 0 295.391 -0.271 20 0 CBADRP O=C([C@@H]1C[C@H](N[C@H]2CC23C[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246443921 825673035 /nfs/dbraw/zinc/67/30/35/825673035.db2.gz IMTDRDOUBUNGPX-DCAQKATOSA-N 2 0 282.413 -0.799 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCC2(CC1)C[NH2+]CCO2 ZINC001246420721 825673053 /nfs/dbraw/zinc/67/30/53/825673053.db2.gz ZMBBOCUHSLPTFE-OWYJLGKBSA-N 3 0 298.431 -0.140 20 0 CBADRP [NH3+]C[C@@]1(O)CCC[N@@H+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC001246543927 825682297 /nfs/dbraw/zinc/68/22/97/825682297.db2.gz OWVAPSXARPMYQZ-WDEREUQCSA-N 2 0 262.375 -0.651 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246415732 825673246 /nfs/dbraw/zinc/67/32/46/825673246.db2.gz KCBJZLVWAYSFEV-USZNOCQGSA-N 3 0 254.378 -0.158 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]([NH2+]CCCNCCC[NH3+])CCN1 ZINC001246453763 825673949 /nfs/dbraw/zinc/67/39/49/825673949.db2.gz PJYVFMREPIOMBW-OLZOCXBDSA-N 2 0 286.420 -0.412 20 0 CBADRP CCOC(=O)C1(N[C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246466429 825675217 /nfs/dbraw/zinc/67/52/17/825675217.db2.gz QPVZLMWBXLZGQA-GFCCVEGCSA-N 2 0 296.415 -0.645 20 0 CBADRP COC(=O)[C@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CN1 ZINC001246478206 825676300 /nfs/dbraw/zinc/67/63/00/825676300.db2.gz UTLDJQDHLMSJQM-XWLWVQCSSA-N 2 0 259.325 -0.573 20 0 CBADRP COC(=O)[C@@H]1C[C@H](N2CC[NH+](CCCC[NH3+])CC2)CN1 ZINC001246477703 825676324 /nfs/dbraw/zinc/67/63/24/825676324.db2.gz JJAILZOMGFRMNU-STQMWFEESA-N 2 0 284.404 -0.754 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CN1 ZINC001246476020 825676343 /nfs/dbraw/zinc/67/63/43/825676343.db2.gz JPDSPQFTCPTUFQ-USZNOCQGSA-N 2 0 273.352 -0.183 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C1CC[NH+](C2COC2)CC1 ZINC001246470832 825676473 /nfs/dbraw/zinc/67/64/73/825676473.db2.gz RRPRDNCIVATVKA-AWEZNQCLSA-N 3 0 294.443 -0.219 20 0 CBADRP Cc1nc(=N)n([C@H]2CCNC3(C[NH2+]C3)C2)cc1C[NH3+] ZINC001246479578 825676538 /nfs/dbraw/zinc/67/65/38/825676538.db2.gz UEFXJAGGBGOPLN-NSHDSACASA-N 2 0 262.361 -0.604 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[N@H+](C)CCO)CN1 ZINC001246488796 825677331 /nfs/dbraw/zinc/67/73/31/825677331.db2.gz JKLYMKJBPSSSQY-NEPJUHHUSA-N 2 0 273.377 -0.816 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C2CC2)C2C[NH2+]C2)CN1 ZINC001246517804 825678145 /nfs/dbraw/zinc/67/81/45/825678145.db2.gz MUXJHEKVEBWQOP-AGIUHOORSA-N 2 0 267.373 -0.132 20 0 CBADRP O=C1CCC[C@H](C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)N1 ZINC001246504501 825678842 /nfs/dbraw/zinc/67/88/42/825678842.db2.gz BNGFFVIRSJGTBT-WDEREUQCSA-N 2 0 252.362 -0.661 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246514095 825678855 /nfs/dbraw/zinc/67/88/55/825678855.db2.gz YZVMDALLBWVSHD-SRVKXCTJSA-N 2 0 256.394 -0.040 20 0 CBADRP CC(C)[C@@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C1C[NH2+]C1 ZINC001246520080 825679570 /nfs/dbraw/zinc/67/95/70/825679570.db2.gz UVKNNFLATIHVDE-QWHCGFSZSA-N 3 0 252.406 -0.086 20 0 CBADRP CC(=O)N1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246521935 825680067 /nfs/dbraw/zinc/68/00/67/825680067.db2.gz CODMEFHHTBOSFU-CYBMUJFWSA-N 2 0 266.389 -0.365 20 0 CBADRP FC1CN(C2C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246534108 825681718 /nfs/dbraw/zinc/68/17/18/825681718.db2.gz GPKZMDCHMBRHFP-LLVKDONJSA-N 2 0 254.353 -0.582 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH+]1CCC(N3CCOCC3)CC1)CCN2 ZINC001246527078 825681959 /nfs/dbraw/zinc/68/19/59/825681959.db2.gz LINSNEZCPBIQCL-HNNXBMFYSA-N 2 0 294.443 -0.123 20 0 CBADRP [NH3+]C[C@@]1(O)CCC[N@@H+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001246543921 825682331 /nfs/dbraw/zinc/68/23/31/825682331.db2.gz OWVAPSXARPMYQZ-GHMZBOCLSA-N 2 0 262.375 -0.651 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)CCN1 ZINC001246541929 825682411 /nfs/dbraw/zinc/68/24/11/825682411.db2.gz HTDUVPMAFHLNBV-VNHYZAJKSA-N 2 0 299.415 -0.154 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH+]2CCC(C[NH3+])CC2)CCN1 ZINC001246538692 825682787 /nfs/dbraw/zinc/68/27/87/825682787.db2.gz PFUXBHQZUTWOIC-RYUDHWBXSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246545436 825683290 /nfs/dbraw/zinc/68/32/90/825683290.db2.gz VZFBXJIEOSGEKQ-HIFRSBDPSA-N 2 0 299.415 -0.201 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH+]1CCN([C@@H]3CCOC3)CC1)CCN2 ZINC001246537961 825683512 /nfs/dbraw/zinc/68/35/12/825683512.db2.gz LRUDXLLPZLEHSC-UONOGXRCSA-N 2 0 280.416 -0.513 20 0 CBADRP CS(=O)(=O)N(C1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001246550983 825684167 /nfs/dbraw/zinc/68/41/67/825684167.db2.gz RSMQQCJGYLGORB-NSHDSACASA-N 2 0 261.391 -0.248 20 0 CBADRP COCCC[NH+]1CCC(N2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246554193 825684200 /nfs/dbraw/zinc/68/42/00/825684200.db2.gz BFWLRYIIFWMJEK-CHWSQXEVSA-N 2 0 257.378 -0.509 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)CN1 ZINC001246556238 825684204 /nfs/dbraw/zinc/68/42/04/825684204.db2.gz FASVCIKBCSFUAO-IPYPFGDCSA-N 2 0 299.415 -0.154 20 0 CBADRP OC[C@@H]1C[C@@H](F)C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246553473 825684215 /nfs/dbraw/zinc/68/42/15/825684215.db2.gz YFTYRRPJQOGTNS-IJLUTSLNSA-N 2 0 257.353 -0.267 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246555065 825684356 /nfs/dbraw/zinc/68/43/56/825684356.db2.gz BFNUUDNBWRXZRN-WDEREUQCSA-N 3 0 274.359 -0.004 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)CN1 ZINC001246556240 825684845 /nfs/dbraw/zinc/68/48/45/825684845.db2.gz FASVCIKBCSFUAO-KCQAQPDRSA-N 2 0 299.415 -0.154 20 0 CBADRP COC(=O)[C@H]1CCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246554419 825685115 /nfs/dbraw/zinc/68/51/15/825685115.db2.gz WOYZUGRNFMNWDO-GHMZBOCLSA-N 2 0 253.346 -0.282 20 0 CBADRP [NH3+][C@@H]1CN(C2CCC3(CC2)C[NH2+]CCO3)C[C@H]1O ZINC001246562017 825686584 /nfs/dbraw/zinc/68/65/84/825686584.db2.gz XYXXJNULAXVKMR-QZQSVVMZSA-N 2 0 255.362 -0.709 20 0 CBADRP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCC[C@H](n3ncnn3)C2)C[C@H]1O ZINC001246567485 825688184 /nfs/dbraw/zinc/68/81/84/825688184.db2.gz KXRFCOWPLZFHHE-WRWGMCAJSA-N 2 0 266.349 -0.449 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH+]2CCC(CC[NH3+])CC2)CN1 ZINC001246581096 825691040 /nfs/dbraw/zinc/69/10/40/825691040.db2.gz PGEHAEOSIBMHSE-NEPJUHHUSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@]1(CO)CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1O ZINC001246589376 825692329 /nfs/dbraw/zinc/69/23/29/825692329.db2.gz CSSVMCZBHLVMLW-FRRDWIJNSA-N 2 0 269.389 -0.854 20 0 CBADRP C[C@@H]1C[C@@H](N2CCOC[C@@]3(C[NH2+]CCO3)C2)CC[NH2+]1 ZINC001246598506 825694100 /nfs/dbraw/zinc/69/41/00/825694100.db2.gz AUMFCLWQHOAAMR-HZSPNIEDSA-N 2 0 269.389 -0.182 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH+]2CCC3(C[NH2+]C3)CC2)CN1 ZINC001246604808 825694193 /nfs/dbraw/zinc/69/41/93/825694193.db2.gz RZCJQLKSTQICBT-QWRGUYRKSA-N 2 0 253.346 -0.425 20 0 CBADRP CC(C)(C)[N@H+](C[C@@H](O)CO)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246605975 825694223 /nfs/dbraw/zinc/69/42/23/825694223.db2.gz SKBYKXNSECBWEE-NWDGAFQWSA-N 2 0 271.405 -0.466 20 0 CBADRP CC1(C[NH3+])CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C1 ZINC001246601276 825694229 /nfs/dbraw/zinc/69/42/29/825694229.db2.gz UOMSTPATFBDLHL-QWRGUYRKSA-N 2 0 284.429 -0.470 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)C[NH2+]CCO3)CN1 ZINC001246600329 825694238 /nfs/dbraw/zinc/69/42/38/825694238.db2.gz GDHUANUZIDZRMQ-OLZOCXBDSA-N 2 0 297.399 -0.266 20 0 CBADRP C1C[C@]2(CCC[NH2+]C2)N1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246599426 825694442 /nfs/dbraw/zinc/69/44/42/825694442.db2.gz CQPJYYDACLGGIC-JSGCOSHPSA-N 3 0 250.390 -0.092 20 0 CBADRP O=S1(=O)CC[C@@H](N2CCNC3(CC[NH2+]CC3)C2)C1 ZINC001246600089 825694465 /nfs/dbraw/zinc/69/44/65/825694465.db2.gz FLXTWOUAFRRNPI-LLVKDONJSA-N 2 0 273.402 -0.799 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCNC3(CC[NH2+]CC3)C1)CCN2 ZINC001246599841 825694544 /nfs/dbraw/zinc/69/45/44/825694544.db2.gz DYYDASWGXPBRKP-CYBMUJFWSA-N 3 0 279.432 -0.892 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CCNC[C@@]13CC[NH2+]C3)CS2 ZINC001246620883 825696411 /nfs/dbraw/zinc/69/64/11/825696411.db2.gz BOPOXJHNMJUUAG-NEPJUHHUSA-N 2 0 268.430 -0.529 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CCNC[C@]13CC[NH2+]C3)CCO2 ZINC001246623717 825696661 /nfs/dbraw/zinc/69/66/61/825696661.db2.gz KJBOSDFTVRUDSV-CHWSQXEVSA-N 2 0 266.389 -0.855 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CCNC[C@]13CC[NH2+]C3)CS2 ZINC001246620898 825696764 /nfs/dbraw/zinc/69/67/64/825696764.db2.gz BOPOXJHNMJUUAG-NWDGAFQWSA-N 2 0 268.430 -0.529 20 0 CBADRP C[C@@H]1C[C@H](N2CC(=O)NC[C@]23CC[NH2+]C3)CC[NH2+]1 ZINC001246622334 825696953 /nfs/dbraw/zinc/69/69/53/825696953.db2.gz QMFMOPJTCDKLJS-NQBHXWOUSA-N 2 0 252.362 -0.709 20 0 CBADRP C1C[C@]2(C[NH2+]1)CNCCN2C1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001246624395 825696965 /nfs/dbraw/zinc/69/69/65/825696965.db2.gz MZFHZKMQFZJRHK-PIGZVRMJSA-N 2 0 266.389 -0.857 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CN1 ZINC001246620972 825697326 /nfs/dbraw/zinc/69/73/26/825697326.db2.gz CBEDXYFUJIYDOC-KXNHARMFSA-N 2 0 253.346 -0.569 20 0 CBADRP O=C1NCC[C@]12CN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC21C[NH2+]C1 ZINC001246630660 825697685 /nfs/dbraw/zinc/69/76/85/825697685.db2.gz ULYPKQPLAXNXCE-GYVWXKFASA-N 2 0 290.411 -0.319 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CC[NH2+]C[C@@]3(CCCCN3)C1)CCN2 ZINC001246631886 825698268 /nfs/dbraw/zinc/69/82/68/825698268.db2.gz UTLVAMGJLMLGMB-GJZGRUSLSA-N 2 0 293.459 -0.502 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CN1 ZINC001246630338 825698369 /nfs/dbraw/zinc/69/83/69/825698369.db2.gz IZWSUPYHUJWNAT-MROQNXINSA-N 2 0 283.372 -0.800 20 0 CBADRP c1nnn([C@@H]2CCC[C@@H]([N@H+]3CCN[C@]4(CC[NH2+]C4)C3)C2)n1 ZINC001246633337 825699719 /nfs/dbraw/zinc/69/97/19/825699719.db2.gz CIHLDIPHMMBSLS-MCIONIFRSA-N 2 0 291.403 -0.206 20 0 CBADRP COC(=O)[C@@]12COC[C@@H]1C[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246640582 825700852 /nfs/dbraw/zinc/70/08/52/825700852.db2.gz GKONOUBSXYVAKB-GWCFXTLKSA-N 2 0 254.330 -0.140 20 0 CBADRP O=C1C[C@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CCN1C1CC1 ZINC001246643740 825701089 /nfs/dbraw/zinc/70/10/89/825701089.db2.gz PWZUYFDHHJSMMB-HIFRSBDPSA-N 2 0 278.400 -0.223 20 0 CBADRP C1C[C@]2(C[NH2+]1)C[N@@H+](C1CCC3(CC1)C[NH2+]CCO3)CCN2 ZINC001246645019 825701278 /nfs/dbraw/zinc/70/12/78/825701278.db2.gz SMTFEISSZFYZLI-PCKAHOCUSA-N 3 0 294.443 -0.075 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCN[C@@]3(CC[NH2+]C3)C1)CS2 ZINC001246646096 825702075 /nfs/dbraw/zinc/70/20/75/825702075.db2.gz WKGWNFWTVMLSBR-NWDGAFQWSA-N 3 0 268.430 -0.529 20 0 CBADRP O=C1CCC[C@]2(C[NH2+]CCN([C@@H]3CCC[NH2+]C3)C2)N1 ZINC001246650479 825702426 /nfs/dbraw/zinc/70/24/26/825702426.db2.gz IPJLSLYVZQSMNX-TZMCWYRMSA-N 2 0 266.389 -0.318 20 0 CBADRP C1C[NH2+]C[C@H](N2CCCO[C@@]3(C[NH2+]CCOC3)C2)C1 ZINC001246648432 825703001 /nfs/dbraw/zinc/70/30/01/825703001.db2.gz PUZWTZQCWIWERL-KGLIPLIRSA-N 2 0 269.389 -0.181 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C1)O4)CCN2 ZINC001246685576 825705929 /nfs/dbraw/zinc/70/59/29/825705929.db2.gz PLPOIWLALLXOEJ-TTZDDIAXSA-N 3 0 292.427 -0.467 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)CN1 ZINC001246681005 825706330 /nfs/dbraw/zinc/70/63/30/825706330.db2.gz ZABFCWGYAYHADQ-WXHSDQCUSA-N 2 0 267.373 -0.179 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C1)O4)CCN2 ZINC001246685563 825706351 /nfs/dbraw/zinc/70/63/51/825706351.db2.gz PLPOIWLALLXOEJ-HLPPOEQASA-N 3 0 292.427 -0.467 20 0 CBADRP CN(C)C(=O)CO[C@@H]1C[N@@H+](C2CC[NH2+]CC2)[C@@H]2COC[C@H]12 ZINC001246692646 825706575 /nfs/dbraw/zinc/70/65/75/825706575.db2.gz HGERLTMQAKBKAL-BFHYXJOUSA-N 2 0 297.399 -0.458 20 0 CBADRP CC(=O)N1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246691121 825706912 /nfs/dbraw/zinc/70/69/12/825706912.db2.gz DFKSHXPBFJJXJU-GFCCVEGCSA-N 2 0 252.362 -0.756 20 0 CBADRP CN1CCO[C@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246703965 825707344 /nfs/dbraw/zinc/70/73/44/825707344.db2.gz ULAXBACEUBWCJP-XQQFMLRXSA-N 2 0 266.389 -0.905 20 0 CBADRP COC[C@]12COC[C@H]1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246744985 825709123 /nfs/dbraw/zinc/70/91/23/825709123.db2.gz DXLQDMUNYHKISO-MGPQQGTHSA-N 2 0 281.400 -0.325 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246780357 825710421 /nfs/dbraw/zinc/71/04/21/825710421.db2.gz CCUMSTVWPZKTFR-AWEZNQCLSA-N 3 0 283.464 -0.494 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246780362 825710711 /nfs/dbraw/zinc/71/07/11/825710711.db2.gz CCUMSTVWPZKTFR-CQSZACIVSA-N 3 0 283.464 -0.494 20 0 CBADRP c1ncc2c(n1)CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246797269 825711533 /nfs/dbraw/zinc/71/15/33/825711533.db2.gz NQGAGHDKDBNDHG-GFCCVEGCSA-N 2 0 259.357 -0.071 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246792594 825711887 /nfs/dbraw/zinc/71/18/87/825711887.db2.gz AIQXESOVBLILTE-CHWSQXEVSA-N 2 0 280.416 -0.119 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246792597 825712235 /nfs/dbraw/zinc/71/22/35/825712235.db2.gz AIQXESOVBLILTE-STQMWFEESA-N 2 0 280.416 -0.119 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)CN1 ZINC001246807304 825713195 /nfs/dbraw/zinc/71/31/95/825713195.db2.gz JFMVLJAXZGELKT-OSUNSFLBSA-N 2 0 253.346 -0.156 20 0 CBADRP CS(=O)(=O)C1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246798578 825713288 /nfs/dbraw/zinc/71/32/88/825713288.db2.gz VGMXDHAQNNPJKZ-LLVKDONJSA-N 2 0 287.429 -0.411 20 0 CBADRP CC1(C)CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]1 ZINC001246818145 825714370 /nfs/dbraw/zinc/71/43/70/825714370.db2.gz WGNGQLOUYAFIPN-RYUDHWBXSA-N 2 0 298.456 -0.066 20 0 CBADRP CC1(C)C[NH2+]CCN1[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246811457 825714745 /nfs/dbraw/zinc/71/47/45/825714745.db2.gz VPCNKPOAFCRPPT-RYUDHWBXSA-N 2 0 298.456 -0.066 20 0 CBADRP O=C1C[C@@H]2CC(N3CC[NH2+]CCNCC[NH2+]CC3)C[C@H]2C1 ZINC001246818046 825714755 /nfs/dbraw/zinc/71/47/55/825714755.db2.gz CITYEOUJZLIVTN-KBPBESRZSA-N 2 0 294.443 -0.172 20 0 CBADRP COC(=O)C[C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246817444 825714900 /nfs/dbraw/zinc/71/49/00/825714900.db2.gz KVENWNAOMKHGHD-NEPJUHHUSA-N 2 0 283.372 -0.656 20 0 CBADRP CN1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246813878 825715124 /nfs/dbraw/zinc/71/51/24/825715124.db2.gz RFKWQFJQZBWJLJ-UPJWGTAASA-N 2 0 250.390 -0.141 20 0 CBADRP O=C1C[C@H]2C[C@H](N3CC[NH2+]CCNCC[NH2+]CC3)C[C@H]2C1 ZINC001246818044 825715339 /nfs/dbraw/zinc/71/53/39/825715339.db2.gz CITYEOUJZLIVTN-FICVDOATSA-N 2 0 294.443 -0.172 20 0 CBADRP C1CC([NH+]2CCNCC[NH2+]CCNCC2)CCS1 ZINC001246819785 825716724 /nfs/dbraw/zinc/71/67/24/825716724.db2.gz IXSOTJXIJNCOSS-UHFFFAOYSA-N 2 0 272.462 -0.034 20 0 CBADRP C[C@@H]1CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@H](C)[NH2+]1 ZINC001246824319 825717107 /nfs/dbraw/zinc/71/71/07/825717107.db2.gz MKADHEPHUSIKQL-RNJOBUHISA-N 2 0 298.456 -0.068 20 0 CBADRP C1C[C@@H]2C[C@@H](N3CC[NH2+]CCNCC[NH2+]CC3)C[C@H](C1)[NH2+]2 ZINC001246823842 825717905 /nfs/dbraw/zinc/71/79/05/825717905.db2.gz WVMHUINXHUXUQV-MUJYYYPQSA-N 3 0 295.475 -0.256 20 0 CBADRP C[C@H]1C[C@H]([NH+]2CCNCC[NH2+]CCNCC2)CCO1 ZINC001246822893 825717942 /nfs/dbraw/zinc/71/79/42/825717942.db2.gz TVUJURUXNQIBNU-UONOGXRCSA-N 2 0 270.421 -0.362 20 0 CBADRP O[C@@H]1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1(F)F ZINC001246826014 825717993 /nfs/dbraw/zinc/71/79/93/825717993.db2.gz ZQRHJJBGCXVKSH-VHSXEESVSA-N 2 0 261.316 -0.218 20 0 CBADRP [NH3+]CCN(CC[NH3+])[C@@H]1CCN[C@@H](C(F)(F)F)C1 ZINC001246833036 825718894 /nfs/dbraw/zinc/71/88/94/825718894.db2.gz QZEQBEHBMFNMHL-RKDXNWHRSA-N 2 0 254.300 -0.111 20 0 CBADRP [NH3+][C@H]1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1(F)F ZINC001246837520 825719115 /nfs/dbraw/zinc/71/91/15/825719115.db2.gz QBPXWJZFSBDUCF-UWVGGRQHSA-N 2 0 260.332 -0.251 20 0 CBADRP [NH3+][C@H]1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1(F)F ZINC001246837524 825719278 /nfs/dbraw/zinc/71/92/78/825719278.db2.gz QBPXWJZFSBDUCF-ZJUUUORDSA-N 2 0 260.332 -0.251 20 0 CBADRP O=C1NC[C@@H]2CC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]12 ZINC001246847807 825720350 /nfs/dbraw/zinc/72/03/50/825720350.db2.gz SPYXDHKXLWXUJY-TUAOUCFPSA-N 2 0 264.373 -0.852 20 0 CBADRP CCN1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246849421 825720542 /nfs/dbraw/zinc/72/05/42/825720542.db2.gz QWFWHYNPLVAFTE-LLVKDONJSA-N 2 0 252.362 -0.756 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1C[C@H]3CC[NH2+]C[C@H]3C1)CCN2 ZINC001246842148 825720625 /nfs/dbraw/zinc/72/06/25/825720625.db2.gz BIMBHONEKXFSSB-AGIUHOORSA-N 3 0 250.390 -0.378 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246857583 825722165 /nfs/dbraw/zinc/72/21/65/825722165.db2.gz QJSXTVDUWYURII-QWRGUYRKSA-N 2 0 255.362 -0.036 20 0 CBADRP CCOC(=O)[C@]12CN([C@H]3CC[NH2+]C3)C[C@H]1C[NH2+]CC2 ZINC001246858412 825722933 /nfs/dbraw/zinc/72/29/33/825722933.db2.gz KYGFVZDDKQIBRG-MBNYWOFBSA-N 2 0 267.373 -0.177 20 0 CBADRP CC[C@@H]1C[C@@H](N2CC[NH2+]C[C@H]2C(=O)OC)CC[NH2+]1 ZINC001246856621 825723192 /nfs/dbraw/zinc/72/31/92/825723192.db2.gz DSHZUVAGDNRNCY-WOPDTQHZSA-N 2 0 255.362 -0.036 20 0 CBADRP c1cn2c(n1)CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246863322 825723799 /nfs/dbraw/zinc/72/37/99/825723799.db2.gz WOEYUCIGGLLBBI-GFCCVEGCSA-N 2 0 261.373 -0.165 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)CCN1 ZINC001246862238 825723824 /nfs/dbraw/zinc/72/38/24/825723824.db2.gz QNFPYPGIGSAWGL-DCQANWLSSA-N 2 0 253.346 -0.297 20 0 CBADRP COC[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246863111 825723887 /nfs/dbraw/zinc/72/38/87/825723887.db2.gz JHFSLELWAFLOGM-RYUDHWBXSA-N 2 0 255.362 -0.572 20 0 CBADRP COC[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246863108 825724070 /nfs/dbraw/zinc/72/40/70/825724070.db2.gz JHFSLELWAFLOGM-NEPJUHHUSA-N 2 0 255.362 -0.572 20 0 CBADRP O=C1NC(=O)C2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)N1 ZINC001246860853 825724320 /nfs/dbraw/zinc/72/43/20/825724320.db2.gz BOMGARRDQDCJLZ-ZACCUICWSA-N 2 0 278.356 -0.057 20 0 CBADRP COC(=O)[C@@H]([NH3+])C1CCN([C@H]2CCC[NH2+]C2)CC1 ZINC001246864876 825724757 /nfs/dbraw/zinc/72/47/57/825724757.db2.gz PTNNKJVWLHNTAR-RYUDHWBXSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CC1CN([C@H]2CCC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246868263 825725504 /nfs/dbraw/zinc/72/55/04/825725504.db2.gz BAEQGKJGARHHKZ-CABCVRRESA-N 3 0 293.459 -0.565 20 0 CBADRP C[C@H]1CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)[C@@H](C)C[NH2+]1 ZINC001246869202 825725883 /nfs/dbraw/zinc/72/58/83/825725883.db2.gz FVFJMQDNOLHBJT-RVMXOQNASA-N 2 0 298.456 -0.068 20 0 CBADRP CCOC(=O)[C@H]1[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246874938 825727041 /nfs/dbraw/zinc/72/70/41/825727041.db2.gz UZUDDKZPUYTOCW-NDBYEHHHSA-N 2 0 279.384 -0.179 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)CN1 ZINC001246872260 825727694 /nfs/dbraw/zinc/72/76/94/825727694.db2.gz QDCLCHJCQXVXAY-MCIONIFRSA-N 2 0 296.415 -0.613 20 0 CBADRP COC(=O)CNC(=O)[C@@H]1CCCN1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246910848 825729734 /nfs/dbraw/zinc/72/97/34/825729734.db2.gz MJTDSYXVWTYTCL-TUAOUCFPSA-N 2 0 283.372 -0.120 20 0 CBADRP COC[C@@H]1COCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246914465 825730351 /nfs/dbraw/zinc/73/03/51/825730351.db2.gz LIPHPUPCGDDOSB-NWDGAFQWSA-N 2 0 255.362 -0.572 20 0 CBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@@H]1CCCC[NH2+]C1 ZINC001246918896 825731703 /nfs/dbraw/zinc/73/17/03/825731703.db2.gz HHOUUFONWUIAPB-CYBMUJFWSA-N 3 0 285.436 -0.756 20 0 CBADRP O=C([C@@H]1C[C@H](N2C[C@H]3C[NH2+]C[C@@H]32)C[NH2+]1)N1CCSC1 ZINC001246923406 825731966 /nfs/dbraw/zinc/73/19/66/825731966.db2.gz YJQRCHPZPUTLCI-RHYQMDGZSA-N 2 0 282.413 -0.847 20 0 CBADRP O=C([C@@H]1C[C@H](N2C[C@@H]3C[NH2+]C[C@H]32)C[NH2+]1)N1CCSC1 ZINC001246923402 825731973 /nfs/dbraw/zinc/73/19/73/825731973.db2.gz YJQRCHPZPUTLCI-FIQHERPVSA-N 2 0 282.413 -0.847 20 0 CBADRP COCCN([C@@H]1CC[NH2+]C1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246928571 825733156 /nfs/dbraw/zinc/73/31/56/825733156.db2.gz LXBCDMQLWZBFRR-CHWSQXEVSA-N 2 0 268.405 -0.609 20 0 CBADRP COC(=O)[C@H]1CN(C2CCC3(CC2)C[NH2+]CCO3)C[C@@H]1[NH3+] ZINC001246928758 825733333 /nfs/dbraw/zinc/73/33/33/825733333.db2.gz AIPBSEYLZTYGMA-FMPXUHTOSA-N 2 0 297.399 -0.280 20 0 CBADRP COC(=O)[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1[NH3+] ZINC001246931810 825733659 /nfs/dbraw/zinc/73/36/59/825733659.db2.gz OGVXKPZKBPNTBT-FXVHWTKVSA-N 2 0 253.346 -0.299 20 0 CBADRP COC(=O)[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1[NH3+] ZINC001246931813 825733740 /nfs/dbraw/zinc/73/37/40/825733740.db2.gz OGVXKPZKBPNTBT-JQYRIEHKSA-N 2 0 253.346 -0.299 20 0 CBADRP COC(=O)[C@H]1CN([C@@H]2CC[C@@H](C)[NH2+]C2)CC[C@@H]1[NH3+] ZINC001246946277 825735258 /nfs/dbraw/zinc/73/52/58/825735258.db2.gz GWAYKSIQNDMLHB-WYUUTHIRSA-N 2 0 255.362 -0.051 20 0 CBADRP OC[C@H]1CCn2nccc2C[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246939969 825735300 /nfs/dbraw/zinc/73/53/00/825735300.db2.gz HXLQUNQRDXKHMB-GXTWGEPZSA-N 2 0 291.399 -0.456 20 0 CBADRP COC(=O)[C@H]1CN([C@@H]2CC[C@H](C)[NH2+]C2)CC[C@@H]1[NH3+] ZINC001246946271 825735322 /nfs/dbraw/zinc/73/53/22/825735322.db2.gz GWAYKSIQNDMLHB-USZNOCQGSA-N 2 0 255.362 -0.051 20 0 CBADRP COCCC[NH+]1CCC(N2C[C@@H](C(=O)OC)[C@H]([NH3+])C2)CC1 ZINC001246941511 825735634 /nfs/dbraw/zinc/73/56/34/825735634.db2.gz VWSFZBQUHFEJBV-ZIAGYGMSSA-N 2 0 299.415 -0.081 20 0 CBADRP OC[C@@H]1CCn2nccc2C[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246939984 825736125 /nfs/dbraw/zinc/73/61/25/825736125.db2.gz HXLQUNQRDXKHMB-JSGCOSHPSA-N 2 0 291.399 -0.456 20 0 CBADRP CNC(=O)NC1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246957147 825736540 /nfs/dbraw/zinc/73/65/40/825736540.db2.gz JBJATIUCRCTXNM-LBPRGKRZSA-N 2 0 281.404 -0.526 20 0 CBADRP CCN1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246985473 825738897 /nfs/dbraw/zinc/73/88/97/825738897.db2.gz CAFUMGVWTGWBDB-AGIUHOORSA-N 2 0 250.390 -0.141 20 0 CBADRP C[C@H]([NH3+])CN(C)[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246980621 825739704 /nfs/dbraw/zinc/73/97/04/825739704.db2.gz JUOAIYGNZSWWHX-DCAQKATOSA-N 2 0 272.418 -0.471 20 0 CBADRP O=C1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]2CCCN12 ZINC001246993619 825740430 /nfs/dbraw/zinc/74/04/30/825740430.db2.gz OOPNJFIFTBQNLH-STQMWFEESA-N 2 0 278.400 -0.223 20 0 CBADRP COC(=O)[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC12CC2 ZINC001246991866 825740785 /nfs/dbraw/zinc/74/07/85/825740785.db2.gz DAHIXLXDCGOTCD-RYUDHWBXSA-N 2 0 279.384 -0.035 20 0 CBADRP CC[N@H+]([C@@H](C)C(=O)OC)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246990725 825741258 /nfs/dbraw/zinc/74/12/58/825741258.db2.gz XVOLNELKKFSQNO-WDEREUQCSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001251974759 825810655 /nfs/dbraw/zinc/81/06/55/825810655.db2.gz QYCXRPJXDGBIQU-SRVKXCTJSA-N 2 0 257.378 -0.054 20 0 CBADRP CCOC[C@H](O)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC001252044138 825814800 /nfs/dbraw/zinc/81/48/00/825814800.db2.gz PDCUPOKTFJPXJY-CYBMUJFWSA-N 2 0 260.378 -0.322 20 0 CBADRP COC(=O)[C@@H](O)C[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001252437200 825857291 /nfs/dbraw/zinc/85/72/91/825857291.db2.gz PHVQBJDELGCRBF-NSHDSACASA-N 2 0 273.377 -0.864 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H]2CCNC(=O)[C@@H]2C1 ZINC001253188196 825903089 /nfs/dbraw/zinc/90/30/89/825903089.db2.gz RYUVYOBJWLNXIK-RWMBFGLXSA-N 2 0 269.389 -0.243 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001253186221 825903203 /nfs/dbraw/zinc/90/32/03/825903203.db2.gz MPWPTIYHAJYKRK-AGIUHOORSA-N 2 0 269.389 -0.291 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001253182775 825903353 /nfs/dbraw/zinc/90/33/53/825903353.db2.gz TUZRQLSPHKXOCE-OCCSQVGLSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[NH+](CC)C[C@H](O)CNC1CC[NH+](CCO)CC1 ZINC001253208465 825905345 /nfs/dbraw/zinc/90/53/45/825905345.db2.gz REGQNYBSEOVFFE-CQSZACIVSA-N 2 0 273.421 -0.265 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CNCCN1CCC[N@H+](C)CC1 ZINC001253207381 825905885 /nfs/dbraw/zinc/90/58/85/825905885.db2.gz GAKDUKJAUWGMLB-HNNXBMFYSA-N 2 0 286.464 -0.084 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@H]1CCC(=O)N1C ZINC001253209128 825905935 /nfs/dbraw/zinc/90/59/35/825905935.db2.gz XXSGFEQWKFMJQT-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](CO)[C@@H]1CCOC1 ZINC001253211964 825906741 /nfs/dbraw/zinc/90/67/41/825906741.db2.gz FYACFMHZWSEEQD-JHJVBQTASA-N 2 0 260.378 -0.324 20 0 CBADRP CC[NH+](CC)C[C@H](O)CNC1(CO)CC[NH+](C)CC1 ZINC001253216018 825907038 /nfs/dbraw/zinc/90/70/38/825907038.db2.gz FSYYOWWVWIEHGJ-CYBMUJFWSA-N 2 0 273.421 -0.265 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001253390495 825912858 /nfs/dbraw/zinc/91/28/58/825912858.db2.gz VBBRTARZUHHZEK-RISCZKNCSA-N 2 0 269.389 -0.053 20 0 CBADRP CN1CC[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)CC1=O ZINC001253403328 825914074 /nfs/dbraw/zinc/91/40/74/825914074.db2.gz FFCLGVCESHBOQT-QWRGUYRKSA-N 2 0 257.378 -0.054 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CC1(C(N)=O)CCOCC1 ZINC001253405593 825914286 /nfs/dbraw/zinc/91/42/86/825914286.db2.gz ICNKSAGSIJQLLY-NSHDSACASA-N 2 0 287.404 -0.393 20 0 CBADRP C[N@H+](CCO)CCCNC[C@H](O)C[NH2+]C(C)(C)C ZINC001253412665 825914694 /nfs/dbraw/zinc/91/46/94/825914694.db2.gz OHNILPWJJKUQJH-LBPRGKRZSA-N 2 0 261.410 -0.361 20 0 CBADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H](O)C[NH3+])CC1=O ZINC001254226373 825945928 /nfs/dbraw/zinc/94/59/28/825945928.db2.gz BLPCTNQFYQWEDB-NXEZZACHSA-N 2 0 287.360 -0.178 20 0 CBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@@H]2CCS(=O)(=O)C2)O1 ZINC001254320237 825950590 /nfs/dbraw/zinc/95/05/90/825950590.db2.gz NVVFGRLCOWKWBI-DDHJBXDOSA-N 2 0 292.401 -0.512 20 0 CBADRP CC(=O)N1CCC([NH+]2CCN(CC[NH3+])CC2)CC1 ZINC001254416036 825961347 /nfs/dbraw/zinc/96/13/47/825961347.db2.gz KWOCZHCQUFJCFE-UHFFFAOYSA-N 2 0 254.378 -0.426 20 0 CBADRP CC(=O)N1CCC([NH2+]CCC[N@H+](C)CCO)CC1 ZINC001254422846 825962926 /nfs/dbraw/zinc/96/29/26/825962926.db2.gz XCTVPNJPSLBZLK-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP COC(=O)C1(N[C@@H]2CC[N@H+](C)C2)CC[NH+](C)CC1 ZINC001255424207 825981301 /nfs/dbraw/zinc/98/13/01/825981301.db2.gz SGDQMTYAUMNAHO-LLVKDONJSA-N 2 0 255.362 -0.083 20 0 CBADRP C[N@@H+]1CC[C@@H](n2cncc2CCNC(=O)CC[NH3+])C1 ZINC001255424328 825982098 /nfs/dbraw/zinc/98/20/98/825982098.db2.gz UQFXOMCUZLNNJF-GFCCVEGCSA-N 2 0 265.361 -0.233 20 0 CBADRP C[N@@H+]1CC[C@@H](N2CCN(CCN3CCOCC3)CC2)C1 ZINC001255435751 825983030 /nfs/dbraw/zinc/98/30/30/825983030.db2.gz LOGVVJPEEOFHFS-OAHLLOKOSA-N 2 0 282.432 -0.360 20 0 CBADRP CCOC(=O)N1CC[C@H]([NH2+]C[C@H](C[NH3+])C(=O)OC)C1 ZINC001256017265 825997867 /nfs/dbraw/zinc/99/78/67/825997867.db2.gz OUMVUIIXJJUPHV-UWVGGRQHSA-N 2 0 273.333 -0.445 20 0 CBADRP O=C1CO[C@H](C[NH2+]C2CCC([NH+]3CCOCC3)CC2)CN1 ZINC001256681728 826029227 /nfs/dbraw/zinc/02/92/27/826029227.db2.gz AMBQGQRIDAPVHV-JXQTWKCFSA-N 2 0 297.399 -0.266 20 0 CBADRP [NH3+]Cc1nnnn1C1CCC([NH+]2CCOCC2)CC1 ZINC001256681778 826030273 /nfs/dbraw/zinc/03/02/73/826030273.db2.gz CAUYCNHCBYPLSA-UHFFFAOYSA-N 2 0 266.349 -0.052 20 0 CBADRP NC(=O)CNC(=O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256856407 826034599 /nfs/dbraw/zinc/03/45/99/826034599.db2.gz KOMOCIHYXHETCC-UHFFFAOYSA-N 2 0 291.355 -0.759 20 0 CBADRP NC(=O)C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(N)=O ZINC001256854270 826035680 /nfs/dbraw/zinc/03/56/80/826035680.db2.gz NSMCGAVVVBNUNO-LBPRGKRZSA-N 2 0 291.355 -0.631 20 0 CBADRP C[N@H+]1C[C@@H]2C[NH+](C3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 ZINC001257239893 826043316 /nfs/dbraw/zinc/04/33/16/826043316.db2.gz ITJNYMSMYRUVCT-TXEJJXNPSA-N 2 0 287.429 -0.096 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)C(F)F ZINC001259953733 826112331 /nfs/dbraw/zinc/11/23/31/826112331.db2.gz IBVOOWPQZRLKET-UHFFFAOYSA-N 2 0 273.349 -0.036 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)NCCC[NH3+])C[C@H]2[NH3+])cn1 ZINC001261435382 826511349 /nfs/dbraw/zinc/51/13/49/826511349.db2.gz SLLBHINMTYZKNG-WDEREUQCSA-N 2 0 266.349 -0.795 20 0 CBADRP Cc1cnc(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cn1 ZINC001261437458 826512827 /nfs/dbraw/zinc/51/28/27/826512827.db2.gz CMXVBWSHHWHHEP-HNNXBMFYSA-N 2 0 293.415 -0.475 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001261450722 826514704 /nfs/dbraw/zinc/51/47/04/826514704.db2.gz HGXWRPRJUWWNCV-LLVKDONJSA-N 2 0 268.361 -0.948 20 0 CBADRP O=C(COC1CC[NH2+]CC1)NCC[C@@H]1CC[NH2+]C1 ZINC001261460663 826517082 /nfs/dbraw/zinc/51/70/82/826517082.db2.gz LFSNWHDTSJZUIV-NSHDSACASA-N 2 0 255.362 -0.129 20 0 CBADRP CNC(=O)CC1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC001261492690 826524254 /nfs/dbraw/zinc/52/42/54/826524254.db2.gz QANYAVTYBTYTEF-UHFFFAOYSA-N 2 0 268.405 -0.260 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC001261494959 826525993 /nfs/dbraw/zinc/52/59/93/826525993.db2.gz LLDACMQBHAMLSE-SNVBAGLBSA-N 2 0 251.334 -0.575 20 0 CBADRP C[NH2+]CC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001261530472 826534716 /nfs/dbraw/zinc/53/47/16/826534716.db2.gz FFUQEKCNXBTSTD-QJPTWQEYSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH2+]CC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001261530475 826534768 /nfs/dbraw/zinc/53/47/68/826534768.db2.gz FFUQEKCNXBTSTD-TUAOUCFPSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC001261632772 826549268 /nfs/dbraw/zinc/54/92/68/826549268.db2.gz MDGHZRFYQSYTNM-UHFFFAOYSA-N 2 0 280.372 -0.854 20 0 CBADRP C[C@H](CNC(=O)CC1([NH3+])CC1)N1CC[NH+](C)CC1 ZINC001261643865 826554378 /nfs/dbraw/zinc/55/43/78/826554378.db2.gz ILPBIXYRLDILHS-LLVKDONJSA-N 2 0 254.378 -0.380 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001261819668 826586736 /nfs/dbraw/zinc/58/67/36/826586736.db2.gz GRSLPGNNXFYOKP-IJLUTSLNSA-N 2 0 282.388 -0.547 20 0 CBADRP O=C(CC[NH2+]CC1CC1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC001261886420 826603022 /nfs/dbraw/zinc/60/30/22/826603022.db2.gz CKMWXPFUTUJQQJ-UHFFFAOYSA-N 2 0 293.375 -0.458 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001262008116 826618228 /nfs/dbraw/zinc/61/82/28/826618228.db2.gz BCMMPPIGSQTOMO-NXEZZACHSA-N 2 0 251.334 -0.122 20 0 CBADRP Cn1cncc1CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001262031338 826625985 /nfs/dbraw/zinc/62/59/85/826625985.db2.gz ODOHJBZYFZEVLW-CQSZACIVSA-N 2 0 263.389 -0.058 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001262033748 826626026 /nfs/dbraw/zinc/62/60/26/826626026.db2.gz IQQWOCHTJMDFMK-QJPTWQEYSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001262033887 826626134 /nfs/dbraw/zinc/62/61/34/826626134.db2.gz LSHWREKSSVUNMA-NSHDSACASA-N 2 0 296.415 -0.170 20 0 CBADRP CC1(C)[C@H](NC(=O)[C@H]2C[NH2+]CCO2)[C@@H]2CCC[NH2+][C@H]21 ZINC001262039113 826627604 /nfs/dbraw/zinc/62/76/04/826627604.db2.gz IAHNPGADXPFXFE-DDHJBXDOSA-N 2 0 267.373 -0.132 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC001262062716 826629420 /nfs/dbraw/zinc/62/94/20/826629420.db2.gz FYVPJNWLTDWEBU-AGIUHOORSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC001262067149 826630307 /nfs/dbraw/zinc/63/03/07/826630307.db2.gz UDIMYTVRVJJSDJ-KKOKHZNYSA-N 2 0 294.399 -0.419 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001262071362 826631571 /nfs/dbraw/zinc/63/15/71/826631571.db2.gz XTNFFGMNGZFWIL-TUAOUCFPSA-N 2 0 282.388 -0.608 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001262161625 826646118 /nfs/dbraw/zinc/64/61/18/826646118.db2.gz PDUVXQHLQVYMMH-STQMWFEESA-N 2 0 294.399 -0.367 20 0 CBADRP CC(C)(C)[NH2+]CC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC001262170948 826647863 /nfs/dbraw/zinc/64/78/63/826647863.db2.gz FHWXKFLQTPBNDS-NSHDSACASA-N 2 0 257.378 -0.053 20 0 CBADRP C([C@@H]1CC[NH2+]C1)N1CC[NH2+]CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC001262194729 826657312 /nfs/dbraw/zinc/65/73/12/826657312.db2.gz BBOLEZQNBGDLFO-HZPDHXFCSA-N 3 0 295.475 -0.587 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC001262542360 826702640 /nfs/dbraw/zinc/70/26/40/826702640.db2.gz YNRZGXHYROGICC-FVCCEPFGSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+]1CCN(CC[NH2+]C[C@@H](O)C2(O)CCC2)CC1 ZINC001262559376 826708605 /nfs/dbraw/zinc/70/86/05/826708605.db2.gz KOICQOWOHPULQU-GFCCVEGCSA-N 2 0 257.378 -0.901 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CO1 ZINC001262566962 826710105 /nfs/dbraw/zinc/71/01/05/826710105.db2.gz FVECNJQWWKNRNC-FRRDWIJNSA-N 2 0 257.378 -0.638 20 0 CBADRP C[NH2+]CCN(C(=O)NCC[NH2+]CCOC)C(C)C ZINC001262584585 826714111 /nfs/dbraw/zinc/71/41/11/826714111.db2.gz GCSDBDHAEUHZOH-UHFFFAOYSA-N 2 0 260.382 -0.138 20 0 CBADRP CC[NH+]1CCN(CCNc2nccnc2C[NH3+])CC1 ZINC001262678092 826722623 /nfs/dbraw/zinc/72/26/23/826722623.db2.gz OLDJKMJYECWAOB-UHFFFAOYSA-N 2 0 264.377 -0.015 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCc1ccccc1C[NH3+] ZINC001263062031 826731646 /nfs/dbraw/zinc/73/16/46/826731646.db2.gz IVPPDKPRBZHQKZ-MFKMUULPSA-N 2 0 265.357 -0.022 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2C[NH2+]CCN2C)C[C@H](C)O1 ZINC001263093916 826735990 /nfs/dbraw/zinc/73/59/90/826735990.db2.gz QDKCAZSYQJOHGP-MJBXVCDLSA-N 2 0 298.431 -0.495 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001263099825 826736637 /nfs/dbraw/zinc/73/66/37/826736637.db2.gz WCWXKOUNFLHYPQ-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC[N@@H+]1C ZINC001263100184 826736817 /nfs/dbraw/zinc/73/68/17/826736817.db2.gz HHTLNVCHKPJTJP-DCQANWLSSA-N 2 0 255.362 -0.302 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001263099569 826737039 /nfs/dbraw/zinc/73/70/39/826737039.db2.gz OBVSXDVUGJPDHV-WDEREUQCSA-N 2 0 255.362 -0.315 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001263099826 826737080 /nfs/dbraw/zinc/73/70/80/826737080.db2.gz WCWXKOUNFLHYPQ-OLZOCXBDSA-N 2 0 296.415 -0.264 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC001263097372 826737286 /nfs/dbraw/zinc/73/72/86/826737286.db2.gz UGRMCMCKONZHBQ-RYUDHWBXSA-N 2 0 254.378 -0.654 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]CCN2C)C[N@@H+]1C1CC1 ZINC001263103423 826738485 /nfs/dbraw/zinc/73/84/85/826738485.db2.gz YRSNUVMDKNAONG-WZRBSPASSA-N 2 0 266.389 -0.369 20 0 CBADRP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC001263107320 826739407 /nfs/dbraw/zinc/73/94/07/826739407.db2.gz TYHFBGUQAIYWJT-XQHKEYJVSA-N 2 0 266.389 -0.417 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[NH2+]1 ZINC001263107372 826739603 /nfs/dbraw/zinc/73/96/03/826739603.db2.gz VIYIOXWZOSJOSQ-UTUOFQBUSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H]([NH3+])CNC(=O)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC001263107166 826739891 /nfs/dbraw/zinc/73/98/91/826739891.db2.gz PKAQHFSIQVOBTM-IRCOFANPSA-N 2 0 255.362 -0.003 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCCO1 ZINC001263127938 826741859 /nfs/dbraw/zinc/74/18/59/826741859.db2.gz BAXHJSLLTGDJHT-NNYUYHANSA-N 2 0 253.346 -0.297 20 0 CBADRP C[NH+](C)CCOCCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001263117229 826742244 /nfs/dbraw/zinc/74/22/44/826742244.db2.gz VUDMMPUTRDORSN-CYBMUJFWSA-N 2 0 273.377 -0.815 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)[NH+](C)C ZINC001263154755 826744981 /nfs/dbraw/zinc/74/49/81/826744981.db2.gz CMKQYMRHMVBNDV-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP Cc1c(C[NH3+])c(NC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)nn1C ZINC001263153853 826744985 /nfs/dbraw/zinc/74/49/85/826744985.db2.gz ZITXYFXANDMRLU-MIMYLULJSA-N 2 0 263.345 -0.019 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C12CC(C1)C[NH2+]2 ZINC001263165651 826747628 /nfs/dbraw/zinc/74/76/28/826747628.db2.gz JPWGGVXPVHWHGE-CVZZAPKMSA-N 2 0 280.372 -0.806 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001263169968 826748555 /nfs/dbraw/zinc/74/85/55/826748555.db2.gz CZSDOIUNGPMDHP-MBNYWOFBSA-N 2 0 269.389 -0.053 20 0 CBADRP CC[C@@H](C(=O)N1CC[NH2+]C[C@H]1CO)[NH+](CC)CC ZINC001263179987 826750176 /nfs/dbraw/zinc/75/01/76/826750176.db2.gz BHZIRFUEPWWBRC-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@]1(C)C[C@@H](O)C[NH2+]1)C2 ZINC001263179270 826750209 /nfs/dbraw/zinc/75/02/09/826750209.db2.gz JGWZERGGFCMSBB-YGNMPJRFSA-N 2 0 253.346 -0.833 20 0 CBADRP CCN(C(=O)[C@H]([NH3+])CCC(=O)OC)[C@H]1CC[NH2+]C1 ZINC001263184652 826751653 /nfs/dbraw/zinc/75/16/53/826751653.db2.gz ZRDOEOSWJCQART-VHSXEESVSA-N 2 0 257.334 -0.523 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001263188179 826751939 /nfs/dbraw/zinc/75/19/39/826751939.db2.gz JLUDOELCZADVQI-OPRDCNLKSA-N 2 0 254.334 -0.548 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)CCSCCC[NH3+] ZINC001263261233 826760066 /nfs/dbraw/zinc/76/00/66/826760066.db2.gz XWYFRIPFTVUBAW-NSHDSACASA-N 2 0 275.418 -0.095 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)C1 ZINC001263212183 826753798 /nfs/dbraw/zinc/75/37/98/826753798.db2.gz MDRKSYSECRVCNY-KWCYVHTRSA-N 2 0 267.373 -0.312 20 0 CBADRP [NH3+][C@H](CC(=O)N1CCNCC[NH2+]CC1)Cc1ccccc1 ZINC001263210417 826753827 /nfs/dbraw/zinc/75/38/27/826753827.db2.gz KXWFMCVPQHEEQI-HNNXBMFYSA-N 2 0 290.411 -0.032 20 0 CBADRP O=C(N1CCNCC[NH2+]CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001263211436 826754125 /nfs/dbraw/zinc/75/41/25/826754125.db2.gz PIVGMEZWXMHKAF-NSHDSACASA-N 2 0 294.321 -0.450 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001263210169 826754329 /nfs/dbraw/zinc/75/43/29/826754329.db2.gz DDQVCMZVFCZHOF-LBPRGKRZSA-N 2 0 254.378 -0.650 20 0 CBADRP C[C@@]1(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[NH2+]CCO1 ZINC001263216306 826755350 /nfs/dbraw/zinc/75/53/50/826755350.db2.gz HTSNFNPISIEFIY-LOWVWBTDSA-N 2 0 253.346 -0.567 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[C@H]1C[NH3+] ZINC001263214272 826755445 /nfs/dbraw/zinc/75/54/45/826755445.db2.gz NDXXGKCJPQLLRH-UHXUPSOCSA-N 2 0 267.373 -0.334 20 0 CBADRP [NH3+]C1(C(=O)N2CCC3(CC2)C[NH2+]CCO3)CCC1 ZINC001263223296 826756353 /nfs/dbraw/zinc/75/63/53/826756353.db2.gz DNLCAMRVWHMELK-UHFFFAOYSA-N 2 0 253.346 -0.151 20 0 CBADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC001263239362 826757782 /nfs/dbraw/zinc/75/77/82/826757782.db2.gz JTGJYFZKCBZHGX-FRRDWIJNSA-N 2 0 261.325 -0.284 20 0 CBADRP [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)CN1CC[NH2+]CC1 ZINC001263256005 826759237 /nfs/dbraw/zinc/75/92/37/826759237.db2.gz NSBSHUWPMSPDSI-AAEUAGOBSA-N 2 0 252.362 -0.769 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC001263252942 826759266 /nfs/dbraw/zinc/75/92/66/826759266.db2.gz FPWNURBYUUVILN-RYUDHWBXSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)N2CCC(OC3C[NH2+]C3)CC2)C1 ZINC001263281972 826761128 /nfs/dbraw/zinc/76/11/28/826761128.db2.gz MBIUGKBUIZYVLB-MGCOHNPYSA-N 2 0 253.346 -0.297 20 0 CBADRP [NH3+]C1CC2(C1)CC(NC(=O)C[C@H]1COCC[NH2+]1)C2 ZINC001263299555 826762565 /nfs/dbraw/zinc/76/25/65/826762565.db2.gz KMHCJXDOAHOMBZ-CIYITXRRSA-N 2 0 253.346 -0.249 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@H](CO)C1 ZINC001263306088 826762842 /nfs/dbraw/zinc/76/28/42/826762842.db2.gz PIXYNTDPMITOCO-SGMGOOAPSA-N 2 0 267.373 -0.489 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCOCCO)C1 ZINC001264387157 826805516 /nfs/dbraw/zinc/80/55/16/826805516.db2.gz FEVLEVUIXJCMDB-MJBXVCDLSA-N 2 0 299.415 -0.426 20 0 CBADRP CN(C)C(=O)C[N@H+](C)CCCNC(=O)CC[NH+](C)C ZINC001265030919 826838545 /nfs/dbraw/zinc/83/85/45/826838545.db2.gz PDDMCXVQJRXHKM-UHFFFAOYSA-N 2 0 272.393 -0.536 20 0 CBADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001265567007 826905480 /nfs/dbraw/zinc/90/54/80/826905480.db2.gz SAUFLXQZGHJHID-XQQFMLRXSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21)[NH+](C)C ZINC001265722733 826910242 /nfs/dbraw/zinc/91/02/42/826910242.db2.gz UJVNNDZSASAFGX-IEECTRCBSA-N 2 0 269.389 -0.246 20 0 CBADRP C[C@H](CNC(=O)CCCC[NH+](C)C)[NH2+][C@@H]1CCNC1=O ZINC001265851505 826929406 /nfs/dbraw/zinc/92/94/06/826929406.db2.gz OOFPEOMHRKPAQY-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC1CC1 ZINC001265901980 826935182 /nfs/dbraw/zinc/93/51/82/826935182.db2.gz GVKOOUAOXJJKBV-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCO)C1)[NH+](C)C ZINC001266246713 826963201 /nfs/dbraw/zinc/96/32/01/826963201.db2.gz VLNDGVIWABDKOK-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H](O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266275331 826969568 /nfs/dbraw/zinc/96/95/68/826969568.db2.gz VSNFEIVQPNKLAC-IJLUTSLNSA-N 2 0 257.378 -0.245 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1CCO ZINC001266495945 827006935 /nfs/dbraw/zinc/00/69/35/827006935.db2.gz XPZSICSFJXEFFO-GFCCVEGCSA-N 2 0 255.362 -0.345 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266610214 827030424 /nfs/dbraw/zinc/03/04/24/827030424.db2.gz NCXFPFGYIPCZDM-GMTAPVOTSA-N 2 0 268.361 -0.937 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CC[NH+](C)C ZINC001266827200 827072015 /nfs/dbraw/zinc/07/20/15/827072015.db2.gz NZPYCNGNKCWNGT-JTQLQIEISA-N 2 0 258.366 -0.879 20 0 CBADRP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001266827980 827072777 /nfs/dbraw/zinc/07/27/77/827072777.db2.gz IPJWWJGXNUDANJ-CQSZACIVSA-N 2 0 298.431 -0.147 20 0 CBADRP CC[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001266836770 827075329 /nfs/dbraw/zinc/07/53/29/827075329.db2.gz XLPCKPPUAHQWAD-QWRGUYRKSA-N 2 0 298.387 -0.820 20 0 CBADRP CN(CC[NH2+]CCOCCO)C(=O)C12CC[NH+](CC1)C2 ZINC001266987984 827104044 /nfs/dbraw/zinc/10/40/44/827104044.db2.gz BQAZRJPTMNNUMU-UHFFFAOYSA-N 2 0 285.388 -0.861 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001267006697 827105969 /nfs/dbraw/zinc/10/59/69/827105969.db2.gz QEFXFBKQFRGJGF-QWRGUYRKSA-N 2 0 268.361 -0.983 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]CC(=O)N(C)C1CC1 ZINC001267117380 827114044 /nfs/dbraw/zinc/11/40/44/827114044.db2.gz RPUFRHACVCYGDA-UHFFFAOYSA-N 2 0 298.431 -0.005 20 0 CBADRP C[N@H+](CCCO)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001267210847 827128463 /nfs/dbraw/zinc/12/84/63/827128463.db2.gz MGNMQSQWVNGTCV-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP CC[C@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001267424495 827170666 /nfs/dbraw/zinc/17/06/66/827170666.db2.gz RKLKBBHPQOUQQF-JTQLQIEISA-N 2 0 258.366 -0.750 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C ZINC001267475287 827176741 /nfs/dbraw/zinc/17/67/41/827176741.db2.gz ZSGCVPJJXCOWER-UHFFFAOYSA-N 2 0 286.420 -0.101 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]CC(=O)N1CCCC1 ZINC001267473842 827177159 /nfs/dbraw/zinc/17/71/59/827177159.db2.gz KXHVRLSMSLYSTB-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001267732639 827210562 /nfs/dbraw/zinc/21/05/62/827210562.db2.gz XQAXEXNNWULVGX-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(N)=O ZINC001267829427 827227937 /nfs/dbraw/zinc/22/79/37/827227937.db2.gz UDQQNOSECZDHLS-JTQLQIEISA-N 2 0 256.350 -0.948 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CCCO ZINC001267997115 827239992 /nfs/dbraw/zinc/23/99/92/827239992.db2.gz AZTSHFDWMOINGI-VXGBXAGGSA-N 2 0 257.378 -0.195 20 0 CBADRP O=C(NC[C@H](O)C[NH2+]CCF)[C@H]1C[NH+]2CCC1CC2 ZINC001268306351 827289390 /nfs/dbraw/zinc/28/93/90/827289390.db2.gz AXLVQBSJSDPRDO-NEPJUHHUSA-N 2 0 273.352 -0.636 20 0 CBADRP O=C(NC[C@@H](O)C[NH2+]CCF)[C@@H]1C[NH+]2CCC1CC2 ZINC001268306353 827290297 /nfs/dbraw/zinc/29/02/97/827290297.db2.gz AXLVQBSJSDPRDO-NWDGAFQWSA-N 2 0 273.352 -0.636 20 0 CBADRP CCC[NH2+]C[C@@H](O)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268321246 827298038 /nfs/dbraw/zinc/29/80/38/827298038.db2.gz LYHCWKHVKSAGTA-NWDGAFQWSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268320654 827298619 /nfs/dbraw/zinc/29/86/19/827298619.db2.gz PVDSMQHPTSWEHW-SDDRHHMPSA-N 2 0 257.378 -0.197 20 0 CBADRP CC[NH2+]C[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001268325076 827301567 /nfs/dbraw/zinc/30/15/67/827301567.db2.gz RILQARLKOSZPIM-GFCCVEGCSA-N 2 0 257.378 -0.195 20 0 CBADRP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001268368329 827315972 /nfs/dbraw/zinc/31/59/72/827315972.db2.gz GTVXQGVZGYATTQ-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP CCN(C)C(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268423209 827324825 /nfs/dbraw/zinc/32/48/25/827324825.db2.gz KNPAZWRVRZSETP-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CCN(CC[NH2+]CCn1cncn1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268438932 827327804 /nfs/dbraw/zinc/32/78/04/827327804.db2.gz LHGRLNSEXFRBDJ-ZDUSSCGKSA-N 2 0 294.403 -0.190 20 0 CBADRP CCN(CC[NH2+]CC(=O)NC)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268461505 827335917 /nfs/dbraw/zinc/33/59/17/827335917.db2.gz LIARWBQXFNPKCO-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268555251 827362340 /nfs/dbraw/zinc/36/23/40/827362340.db2.gz ICJLMZAINSDQTJ-SZZPACECSA-N 2 0 296.415 -0.131 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CCO ZINC001268557731 827364155 /nfs/dbraw/zinc/36/41/55/827364155.db2.gz XSUHTUQVZBDFSS-MVZIDQBPSA-N 2 0 255.362 -0.275 20 0 CBADRP CNC(=O)C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268571716 827366399 /nfs/dbraw/zinc/36/63/99/827366399.db2.gz FFDZJXICMIGANT-PLNGDYQASA-N 2 0 296.415 -0.131 20 0 CBADRP CC(C)(C(=O)NC/C=C/C[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001268574869 827368782 /nfs/dbraw/zinc/36/87/82/827368782.db2.gz WKAAQVJXNPVKPY-ONEGZZNKSA-N 2 0 282.388 -0.392 20 0 CBADRP CC[C@@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001268579983 827370217 /nfs/dbraw/zinc/37/02/17/827370217.db2.gz UTFGTWXRSJWXBH-QLQVPFRHSA-N 2 0 296.415 -0.003 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NC/C=C/C[NH2+]CCO)CC[N@@H+]1C ZINC001268580422 827370567 /nfs/dbraw/zinc/37/05/67/827370567.db2.gz AZZDQYZMGVWQGZ-GFSGRHGLSA-N 2 0 269.389 -0.029 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]CCO)C1 ZINC001268590905 827372731 /nfs/dbraw/zinc/37/27/31/827372731.db2.gz KRKLVGFRYYTPHU-ZZKXABKFSA-N 2 0 255.362 -0.418 20 0 CBADRP C[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001268625278 827382556 /nfs/dbraw/zinc/38/25/56/827382556.db2.gz MEBOSDAOHXALJR-IBPBTGAJSA-N 2 0 296.415 -0.323 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001268670831 827397938 /nfs/dbraw/zinc/39/79/38/827397938.db2.gz JFNYTNOQIWXYLC-ZJUUUORDSA-N 2 0 258.366 -0.704 20 0 CBADRP C[C@@H]([NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001268916164 827438471 /nfs/dbraw/zinc/43/84/71/827438471.db2.gz ZRRKYFYADBHHAZ-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCCO)C1)[NH+](C)C ZINC001269038962 827454011 /nfs/dbraw/zinc/45/40/11/827454011.db2.gz LPQAEJQNBRULAC-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](C[C@H](C)O)C1 ZINC001269078209 827461622 /nfs/dbraw/zinc/46/16/22/827461622.db2.gz CHTQKWCQDKRSGE-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)CN(CCO)CCO ZINC001269094159 827463356 /nfs/dbraw/zinc/46/33/56/827463356.db2.gz BCJNLDLNMXSLNP-YHWZYXNKSA-N 2 0 285.388 -0.986 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCCO)C1 ZINC001269187238 827473189 /nfs/dbraw/zinc/47/31/89/827473189.db2.gz OYBQWCVNLUJYOD-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP CN(C)C(=O)CN1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001269192009 827474548 /nfs/dbraw/zinc/47/45/48/827474548.db2.gz IJDWECVVPMPWEF-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@H](C(=O)NC[C@@H]1CCN1CCCO)[NH+](C)C ZINC001269255472 827483986 /nfs/dbraw/zinc/48/39/86/827483986.db2.gz PRNNXRNYSRITGW-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CCO)C1 ZINC001270187280 827552995 /nfs/dbraw/zinc/55/29/95/827552995.db2.gz HSKIUFIWRIQMGK-NEPJUHHUSA-N 2 0 255.362 -0.489 20 0 CBADRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001270671761 827586564 /nfs/dbraw/zinc/58/65/64/827586564.db2.gz DYLXCNBMDRXEQZ-MJBXVCDLSA-N 2 0 280.416 -0.073 20 0 CBADRP C[NH+](C)CCN1CCC12CN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001270673954 827588345 /nfs/dbraw/zinc/58/83/45/827588345.db2.gz ZPHGBSLWPCCMKF-ZDUSSCGKSA-N 2 0 280.416 -0.071 20 0 CBADRP C[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC(=O)N(C)C)C2)[NH+](C)C ZINC001271146383 827629551 /nfs/dbraw/zinc/62/95/51/827629551.db2.gz AQPDLLTYYGKLIP-LBPRGKRZSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001271172131 827672059 /nfs/dbraw/zinc/67/20/59/827672059.db2.gz WYEQQZFXEPFXFX-RYUDHWBXSA-N 2 0 269.389 -0.101 20 0 CBADRP CN1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H](C1)O2 ZINC001271939003 827737207 /nfs/dbraw/zinc/73/72/07/827737207.db2.gz DBMVNIRBFFVRIA-MJBXVCDLSA-N 2 0 279.384 -0.130 20 0 CBADRP CCC[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001272435072 827797624 /nfs/dbraw/zinc/79/76/24/827797624.db2.gz OMQCNIGVWQHPEM-LBPRGKRZSA-N 2 0 257.378 -0.053 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)C[NH2+]CCF ZINC001272444551 827798683 /nfs/dbraw/zinc/79/86/83/827798683.db2.gz VXQJGMZRDUAJJM-NWDGAFQWSA-N 2 0 275.368 -0.103 20 0 CBADRP C[C@H](CC[NH2+]CC(N)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001272828531 827842391 /nfs/dbraw/zinc/84/23/91/827842391.db2.gz AZIBQCFFZDRQQS-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H](CC[NH2+]CCO)NC(=O)C1CC[NH+](C)CC1 ZINC001272995379 827855716 /nfs/dbraw/zinc/85/57/16/827855716.db2.gz YEZWKXUFABJXEG-NSHDSACASA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H](CC[NH2+]CC(=O)N(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001273123540 827866618 /nfs/dbraw/zinc/86/66/18/827866618.db2.gz VZQGBUIXZFMZBX-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CCCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001273175947 827872498 /nfs/dbraw/zinc/87/24/98/827872498.db2.gz MVHHXPIMVWLWTI-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001273201323 827873616 /nfs/dbraw/zinc/87/36/16/827873616.db2.gz LKCHQUMPKFZIIT-NWDGAFQWSA-N 2 0 269.389 -0.053 20 0 CBADRP COCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001273276930 827881358 /nfs/dbraw/zinc/88/13/58/827881358.db2.gz NZGGIEHEELSYKB-KBPBESRZSA-N 2 0 299.415 -0.066 20 0 CBADRP COCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC001273276932 827882088 /nfs/dbraw/zinc/88/20/88/827882088.db2.gz NZGGIEHEELSYKB-UONOGXRCSA-N 2 0 299.415 -0.066 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273703238 827920027 /nfs/dbraw/zinc/92/00/27/827920027.db2.gz DQXLPCIODATJNK-DOMZBBRYSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273703010 827920259 /nfs/dbraw/zinc/92/02/59/827920259.db2.gz ASVRAKUJNFJGDI-YNEHKIRRSA-N 2 0 296.415 -0.123 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273703246 827920339 /nfs/dbraw/zinc/92/03/39/827920339.db2.gz DQXLPCIODATJNK-SWLSCSKDSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[C@@H](C(=O)N(CC)CC[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001273710237 827921511 /nfs/dbraw/zinc/92/15/11/827921511.db2.gz NTLULLRDTYSBHR-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP CCOCC[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273958198 827947025 /nfs/dbraw/zinc/94/70/25/827947025.db2.gz AOIRMLSWMRIEMG-OAHLLOKOSA-N 2 0 299.415 -0.112 20 0 CBADRP COC[C@H](O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001274038678 827954046 /nfs/dbraw/zinc/95/40/46/827954046.db2.gz XRIZNTZJKYKTDC-YNLGZWBXSA-N 2 0 299.415 -0.404 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274073497 827966416 /nfs/dbraw/zinc/96/64/16/827966416.db2.gz NYQZKIBIRBSPAY-AWEZNQCLSA-N 2 0 282.388 -0.782 20 0 CBADRP CNC(=O)C[NH+]1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001274074439 827967003 /nfs/dbraw/zinc/96/70/03/827967003.db2.gz UYLGGVKKUHUPSR-UHFFFAOYSA-N 2 0 296.415 -0.392 20 0 CBADRP CCNC(=O)C[NH2+]C/C=C\CNC(=O)C1([NH+](C)C)CCC1 ZINC001274090250 827968259 /nfs/dbraw/zinc/96/82/59/827968259.db2.gz YLJJGNQTFPVYFL-WAYWQWQTSA-N 2 0 296.415 -0.131 20 0 CBADRP CC(C)[C@H](C(=O)NC/C=C/C[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001274339526 827983821 /nfs/dbraw/zinc/98/38/21/827983821.db2.gz OCIFMZYHGLYZFL-FBVTZJDUSA-N 2 0 296.415 -0.277 20 0 CBADRP Cn1cncc1CCC(=O)NC/C=C/C[NH2+]CCO ZINC001274544820 827997305 /nfs/dbraw/zinc/99/73/05/827997305.db2.gz PXWOLHDRAUVRSK-NSCUHMNNSA-N 2 0 266.345 -0.393 20 0 CBADRP Cn1cncc1CCC(=O)NC/C=C\C[NH2+]CCO ZINC001274544819 827998240 /nfs/dbraw/zinc/99/82/40/827998240.db2.gz PXWOLHDRAUVRSK-IHWYPQMZSA-N 2 0 266.345 -0.393 20 0 CBADRP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@H](O)CO ZINC001274565754 828002195 /nfs/dbraw/zinc/00/21/95/828002195.db2.gz UEUCIBLXLNDMGV-DZGCQCFKSA-N 2 0 299.415 -0.642 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC(O)(C[NH2+]CCF)CC1 ZINC001274581425 828006259 /nfs/dbraw/zinc/00/62/59/828006259.db2.gz SGCIHIXOIDJOMX-UHFFFAOYSA-N 2 0 287.379 -0.005 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001274643445 828015380 /nfs/dbraw/zinc/01/53/80/828015380.db2.gz QFDROZCLZYTZGA-DZGCQCFKSA-N 2 0 299.415 -0.378 20 0 CBADRP COCCC[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001274939861 828043726 /nfs/dbraw/zinc/04/37/26/828043726.db2.gz RRLBCFPWHKONED-KBPBESRZSA-N 2 0 271.405 -0.031 20 0 CBADRP COCC[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001274981859 828048118 /nfs/dbraw/zinc/04/81/18/828048118.db2.gz XTDWGOXOWSFLGZ-STQMWFEESA-N 2 0 257.378 -0.421 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CCO)C1 ZINC001275054342 828052749 /nfs/dbraw/zinc/05/27/49/828052749.db2.gz OVAVFJIWLXWVGQ-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001275172824 828062312 /nfs/dbraw/zinc/06/23/12/828062312.db2.gz WLDZMQGHMHBXCQ-KFWWJZLASA-N 2 0 283.416 -0.031 20 0 CBADRP COC(=O)CCC[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001275158308 828063036 /nfs/dbraw/zinc/06/30/36/828063036.db2.gz BNOTVMVXALFHHC-KBPBESRZSA-N 2 0 299.415 -0.114 20 0 CBADRP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC(=O)N1 ZINC001275187257 828064477 /nfs/dbraw/zinc/06/44/77/828064477.db2.gz HGPLYBSHVOLBRE-MELADBBJSA-N 2 0 280.416 -0.025 20 0 CBADRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2C[C@H]1CCC(=O)N1 ZINC001275186913 828065420 /nfs/dbraw/zinc/06/54/20/828065420.db2.gz FKIAKJLMRAOTOO-RDBSUJKOSA-N 2 0 280.416 -0.025 20 0 CBADRP C[NH+](C)CCC(=O)NC1CC(C[NH2+]CCn2cncn2)C1 ZINC001275284032 828074741 /nfs/dbraw/zinc/07/47/41/828074741.db2.gz AQDDHEPITRMILR-UHFFFAOYSA-N 2 0 294.403 -0.286 20 0 CBADRP C[NH+](C)CCN1CCC2(C[NH+](CCN3CCOCC3)C2)C1 ZINC001275990752 828128755 /nfs/dbraw/zinc/12/87/55/828128755.db2.gz YOVAVEIHFZMOES-UHFFFAOYSA-N 2 0 296.459 -0.112 20 0 CBADRP CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001276076408 828133340 /nfs/dbraw/zinc/13/33/40/828133340.db2.gz OWPFJQVPMZYZTC-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001276076281 828133354 /nfs/dbraw/zinc/13/33/54/828133354.db2.gz NATFOGQUYKJRND-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001276195061 828138421 /nfs/dbraw/zinc/13/84/21/828138421.db2.gz DRHFXEKZYXIQQC-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001276379686 828143019 /nfs/dbraw/zinc/14/30/19/828143019.db2.gz OZLAUHHHNQFHAA-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1C[NH+](CCO)C1 ZINC001276433737 828146111 /nfs/dbraw/zinc/14/61/11/828146111.db2.gz WICLIRPJFHVZHZ-NWDGAFQWSA-N 2 0 269.389 -0.243 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)C1C[NH+](CCO)C1)[NH+](C)C ZINC001276454224 828146955 /nfs/dbraw/zinc/14/69/55/828146955.db2.gz UEYUVQSLCAYSMD-ZYHUDNBSSA-N 2 0 257.378 -0.245 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CCO)C1 ZINC001276448708 828147045 /nfs/dbraw/zinc/14/70/45/828147045.db2.gz ZCNFHDCGCJWHET-LLVKDONJSA-N 2 0 257.378 -0.243 20 0 CBADRP COC(=O)[C@H](C)C[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001276523768 828147994 /nfs/dbraw/zinc/14/79/94/828147994.db2.gz QKHZWYGEVBQJHR-GFCCVEGCSA-N 2 0 269.389 -0.025 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]CCO)C1CC1 ZINC001276702377 828155619 /nfs/dbraw/zinc/15/56/19/828155619.db2.gz CDILPXHZJHYHDW-GFCCVEGCSA-N 2 0 255.362 -0.441 20 0 CBADRP CN(C)C(=O)CN1CC2(C1)C[NH+](CC1CC[NH2+]CC1)C2 ZINC001276714035 828156817 /nfs/dbraw/zinc/15/68/17/828156817.db2.gz NRPAOIQDCSFZFW-UHFFFAOYSA-N 2 0 280.416 -0.308 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1C[C@H](C)O ZINC001276956892 828168131 /nfs/dbraw/zinc/16/81/31/828168131.db2.gz PKCHPWVJEKTFMK-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)Cn1ccnc1 ZINC001276986535 828169998 /nfs/dbraw/zinc/16/99/98/828169998.db2.gz XGTYZYKXRRMHFG-QWRGUYRKSA-N 2 0 252.318 -0.546 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CCO)CC2)CC[N@@H+]1C ZINC001277060845 828174105 /nfs/dbraw/zinc/17/41/05/828174105.db2.gz UADVWYWZMHJIAV-NWDGAFQWSA-N 2 0 269.389 -0.053 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001277093944 828175330 /nfs/dbraw/zinc/17/53/30/828175330.db2.gz GHDYRVYTSHCKRQ-SNVBAGLBSA-N 2 0 268.361 -0.806 20 0 CBADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](C[C@H]3COCCO3)C[C@@H]21 ZINC001277527155 828193647 /nfs/dbraw/zinc/19/36/47/828193647.db2.gz WBUHENMGRHJSPF-KKUMJFAQSA-N 2 0 299.415 -0.652 20 0 CBADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](C[C@@H]3COCCO3)C[C@@H]21 ZINC001277527151 828194630 /nfs/dbraw/zinc/19/46/30/828194630.db2.gz WBUHENMGRHJSPF-ILXRZTDVSA-N 2 0 299.415 -0.652 20 0 CBADRP CN(C)C(=O)CC[NH+]1CC2(CCN2CC[NH+](C)C)C1 ZINC001277635726 828199479 /nfs/dbraw/zinc/19/94/79/828199479.db2.gz ABSPFDDEBJIHDH-UHFFFAOYSA-N 2 0 268.405 -0.214 20 0 CBADRP Cn1cnc([C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]2C(N)=O)c1 ZINC001277821154 828212451 /nfs/dbraw/zinc/21/24/51/828212451.db2.gz FFHGIJUJXNJRMT-CHWSQXEVSA-N 2 0 291.399 -0.080 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC(N)=O ZINC001277994957 828227795 /nfs/dbraw/zinc/22/77/95/828227795.db2.gz LSZVDUFKUWCENV-JTQLQIEISA-N 2 0 258.366 -0.750 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CCOCCO)C1 ZINC001277997814 828229162 /nfs/dbraw/zinc/22/91/62/828229162.db2.gz UEZWZCGDMJVBRL-KGLIPLIRSA-N 2 0 299.415 -0.472 20 0 CBADRP CN(C[C@H](O)C[NH2+]CCF)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001278737762 828279083 /nfs/dbraw/zinc/27/90/83/828279083.db2.gz UHVVTHJGFGJRLU-MNOVXSKESA-N 2 0 261.341 -0.541 20 0 CBADRP CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001278765909 828283784 /nfs/dbraw/zinc/28/37/84/828283784.db2.gz FDMNTAQUILBHOB-AAEUAGOBSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001349274268 890784976 /nfs/dbraw/zinc/78/49/76/890784976.db2.gz WGLWHBYYNKRSCQ-ONGXEEELSA-N 2 0 266.349 -0.505 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188158685 884722343 /nfs/dbraw/zinc/72/23/43/884722343.db2.gz UKYCCNRXPLPVGZ-VXGBXAGGSA-N 2 0 284.404 -0.348 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315628 884761743 /nfs/dbraw/zinc/76/17/43/884761743.db2.gz UOPUEALMHLJIRT-FRRDWIJNSA-N 2 0 287.404 -0.618 20 0 CBADRP CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378005 884778703 /nfs/dbraw/zinc/77/87/03/884778703.db2.gz ASWWIGWUZODIMF-IJLUTSLNSA-N 2 0 273.377 -0.866 20 0 CBADRP CC[NH2+]CCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001326092118 884904305 /nfs/dbraw/zinc/90/43/05/884904305.db2.gz VEVHJIYHAPEYGL-GFCCVEGCSA-N 2 0 257.378 -0.241 20 0 CBADRP COCCOC[C@H]1CC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001326308849 884979693 /nfs/dbraw/zinc/97/96/93/884979693.db2.gz FWBJIWUNGRWPCF-ZDUSSCGKSA-N 2 0 285.388 -0.597 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC001326307270 884982362 /nfs/dbraw/zinc/98/23/62/884982362.db2.gz WQFQDKZLAWFPGK-SNVBAGLBSA-N 2 0 251.334 -0.575 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](N)CC[NH+](C)C)C1 ZINC001326625348 885095541 /nfs/dbraw/zinc/09/55/41/885095541.db2.gz BPXJHVLQPASZCS-SDDRHHMPSA-N 2 0 256.394 -0.149 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC001326626596 885095637 /nfs/dbraw/zinc/09/56/37/885095637.db2.gz KLSRILKMJDEVMW-GFCCVEGCSA-N 2 0 271.361 -0.798 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@@H](C[NH3+])C2CC2)nn1 ZINC001326783662 885144209 /nfs/dbraw/zinc/14/42/09/885144209.db2.gz JMMMYWNMHDHKAO-VIFPVBQESA-N 2 0 252.322 -0.906 20 0 CBADRP O=C(CN1CCC[C@H]2C[NH2+]C[C@H]21)N1CC[NH2+]CC1 ZINC001327089236 885252010 /nfs/dbraw/zinc/25/20/10/885252010.db2.gz IBVJKRMLVHFNOL-NWDGAFQWSA-N 2 0 252.362 -0.898 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC001327578688 885413373 /nfs/dbraw/zinc/41/33/73/885413373.db2.gz KQPUJNHFHXZOED-GARJFASQSA-N 2 0 253.346 -0.392 20 0 CBADRP COC[C@H](CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)OC ZINC001327628129 885434421 /nfs/dbraw/zinc/43/44/21/885434421.db2.gz ARMGDEKHXGPUTA-KGLIPLIRSA-N 2 0 289.420 -0.764 20 0 CBADRP [NH3+]CC1(O)CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC001328438427 885686417 /nfs/dbraw/zinc/68/64/17/885686417.db2.gz YHTKGDNTWGZAOR-NSHDSACASA-N 3 0 255.362 -0.707 20 0 CBADRP O=C(CN1CCC[C@H]2C[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC001329317509 886014882 /nfs/dbraw/zinc/01/48/82/886014882.db2.gz ZTIRASILTNSJES-QWHCGFSZSA-N 2 0 266.389 -0.508 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001329437133 886065906 /nfs/dbraw/zinc/06/59/06/886065906.db2.gz HUAATYJFDHSHPZ-SNVBAGLBSA-N 2 0 282.388 -0.465 20 0 CBADRP C[NH+]1CCN(Cc2cn(CC3C[NH2+]C3)nn2)CC1 ZINC001329693034 886177143 /nfs/dbraw/zinc/17/71/43/886177143.db2.gz OLOSHWBSNOSISW-UHFFFAOYSA-N 2 0 250.350 -0.755 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)CC2(C[NH3+])CC2)n1 ZINC001329936544 886286222 /nfs/dbraw/zinc/28/62/22/886286222.db2.gz HYFPZKTZFPNVDK-UHFFFAOYSA-N 2 0 265.317 -0.614 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001330617439 886504010 /nfs/dbraw/zinc/50/40/10/886504010.db2.gz CDFJZVRLDHWLCD-GMXVVIOVSA-N 2 0 254.378 -0.667 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001330617438 886504478 /nfs/dbraw/zinc/50/44/78/886504478.db2.gz CDFJZVRLDHWLCD-DMDPSCGWSA-N 2 0 254.378 -0.667 20 0 CBADRP CCN(C(=O)c1cn(CCCC[NH3+])nn1)[C@H]1CC[NH2+]C1 ZINC001330984832 886638017 /nfs/dbraw/zinc/63/80/17/886638017.db2.gz OZWSVCNPYCRDBZ-NSHDSACASA-N 2 0 280.376 -0.159 20 0 CBADRP Nc1cc[nH+]c(CNC(=O)C[C@H]2COCC[NH2+]2)c1 ZINC001330984057 886638306 /nfs/dbraw/zinc/63/83/06/886638306.db2.gz JTOCQMHPCJVTRD-NSHDSACASA-N 2 0 250.302 -0.342 20 0 CBADRP C[C@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+]CCO ZINC001331468985 886815281 /nfs/dbraw/zinc/81/52/81/886815281.db2.gz FZSMHJCEKYDTII-LLVKDONJSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001331689817 886911903 /nfs/dbraw/zinc/91/19/03/886911903.db2.gz OGJBSXXGWJNGIF-SDDRHHMPSA-N 2 0 255.362 -0.097 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC2CC2)CC[N@@H+]1C ZINC001331710437 886927724 /nfs/dbraw/zinc/92/77/24/886927724.db2.gz AMUBDWLWBQIYLZ-RAIGVLPGSA-N 2 0 269.389 -0.197 20 0 CBADRP CCOCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001331834408 887006182 /nfs/dbraw/zinc/00/61/82/887006182.db2.gz HLZGUPIAHHYLJS-NWDGAFQWSA-N 2 0 273.377 -0.959 20 0 CBADRP CN(CCOCC[NH3+])C[C@@H]1CCCS(=O)(=O)C1 ZINC001331848245 887011275 /nfs/dbraw/zinc/01/12/75/887011275.db2.gz ZIWMTNZGYZHLFP-NSHDSACASA-N 2 0 264.391 -0.282 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N[C@@H](C[NH3+])C2CC2)nn1 ZINC001332174192 887143560 /nfs/dbraw/zinc/14/35/60/887143560.db2.gz SHCHDKQFQXTKOV-JTQLQIEISA-N 2 0 266.349 -0.516 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1CC12CC[NH2+]CC2 ZINC001332283084 887183293 /nfs/dbraw/zinc/18/32/93/887183293.db2.gz XZYWJKMFQKSVPV-WDEREUQCSA-N 2 0 253.346 -0.519 20 0 CBADRP CN1CC[NH+](C2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC001332382057 887241098 /nfs/dbraw/zinc/24/10/98/887241098.db2.gz XEWZJQMZHOABMO-UHFFFAOYSA-N 2 0 268.405 -0.214 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC001332393482 887257031 /nfs/dbraw/zinc/25/70/31/887257031.db2.gz HOGDAUKICNAWMI-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC001332393480 887257263 /nfs/dbraw/zinc/25/72/63/887257263.db2.gz HOGDAUKICNAWMI-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC001332725382 887417600 /nfs/dbraw/zinc/41/76/00/887417600.db2.gz VIBQUYKWPLHBNZ-CQSZACIVSA-N 2 0 299.463 -0.592 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(O)(C[NH3+])CC1 ZINC001332976064 887492394 /nfs/dbraw/zinc/49/23/94/887492394.db2.gz MHCVBYYBNVPOLC-JDEDCZITSA-N 2 0 267.373 -0.290 20 0 CBADRP CC(=O)N1C[C@@H]2C[N@@H+](CCN3CC[NH2+]CC3)C[C@@H]2C1 ZINC001333161390 887545197 /nfs/dbraw/zinc/54/51/97/887545197.db2.gz NRLYFGBMWGPSJF-OKILXGFUSA-N 2 0 266.389 -0.698 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333407204 887624871 /nfs/dbraw/zinc/62/48/71/887624871.db2.gz UKXZGWFKDBUEQN-UTUOFQBUSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH+]1CCC2(CC1)C[N@H+](C[C@H]1CNC(=O)C1)CCO2 ZINC001333608411 887713201 /nfs/dbraw/zinc/71/32/01/887713201.db2.gz ZKRKZQAPTDEDRM-GFCCVEGCSA-N 2 0 267.373 -0.081 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC001333626580 887722037 /nfs/dbraw/zinc/72/20/37/887722037.db2.gz SLZYBTJMQHGCGD-UWVGGRQHSA-N 2 0 270.377 -0.561 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@@H]2CCC[NH2+]CC2)nn1 ZINC001333629012 887725648 /nfs/dbraw/zinc/72/56/48/887725648.db2.gz FXILHTXOUJSZIR-SECBINFHSA-N 2 0 252.322 -0.891 20 0 CBADRP C[C@H](CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)[S@](C)=O ZINC001335476603 888544785 /nfs/dbraw/zinc/54/47/85/888544785.db2.gz JNJVSCIEKHPZHN-NQCMUKECSA-N 2 0 291.461 -0.659 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001335596734 888575092 /nfs/dbraw/zinc/57/50/92/888575092.db2.gz WOZYASOKBGXMNP-WYUUTHIRSA-N 2 0 268.361 -0.776 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001335603103 888579961 /nfs/dbraw/zinc/57/99/61/888579961.db2.gz IPKASTUGAWDXPG-QJPTWQEYSA-N 2 0 268.361 -0.774 20 0 CBADRP C[C@@H](NC(=O)c1c(C[NH3+])cnn1C)[C@@H]1CCC[NH2+]C1 ZINC001336709107 888852588 /nfs/dbraw/zinc/85/25/88/888852588.db2.gz QVUBUQBXJHWUQN-NXEZZACHSA-N 2 0 265.361 -0.003 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC001336658858 888837179 /nfs/dbraw/zinc/83/71/79/888837179.db2.gz LPWCSKQOMRFXDQ-QJPTWQEYSA-N 2 0 254.378 -0.476 20 0 CBADRP [NH3+]CCOCC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC001336732057 888861078 /nfs/dbraw/zinc/86/10/78/888861078.db2.gz MRVSLDYYIQZHCR-RKDXNWHRSA-N 2 0 283.294 -0.053 20 0 CBADRP [NH3+]CCOCC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC001336732054 888861239 /nfs/dbraw/zinc/86/12/39/888861239.db2.gz MRVSLDYYIQZHCR-BDAKNGLRSA-N 2 0 283.294 -0.053 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C[C@H]1[NH3+] ZINC001336812363 888890703 /nfs/dbraw/zinc/89/07/03/888890703.db2.gz YLWQQTBZKWHXRB-IJLUTSLNSA-N 2 0 269.393 -0.779 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C2([C@@H](C)[NH3+])CCOCC2)C1 ZINC001338368234 889148669 /nfs/dbraw/zinc/14/86/69/889148669.db2.gz FTZOGHORMXBYBN-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP CN1CC[C@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1=O ZINC001338421460 889156208 /nfs/dbraw/zinc/15/62/08/889156208.db2.gz DGMCWBYDIFNXQR-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@H]([NH3+])C1 ZINC001338518624 889170755 /nfs/dbraw/zinc/17/07/55/889170755.db2.gz KNULONUSNLXQKB-RYUDHWBXSA-N 2 0 269.393 -0.635 20 0 CBADRP CCO[C@H](CNC(=O)NCC1C[NH2+]C1)C[NH+](C)C ZINC001338646830 889185675 /nfs/dbraw/zinc/18/56/75/889185675.db2.gz VEEFLXSALVULEX-LLVKDONJSA-N 2 0 258.366 -0.528 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@H](C)[C@H](O)C[NH2+]C)CC1 ZINC001340017225 889366863 /nfs/dbraw/zinc/36/68/63/889366863.db2.gz BUMHBKHFEZDDKW-ZYHUDNBSSA-N 2 0 257.378 -0.197 20 0 CBADRP [NH3+]CC1(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC(O)C1 ZINC001340044260 889367910 /nfs/dbraw/zinc/36/79/10/889367910.db2.gz ISSFAEBOHDTKTJ-MRFPXMQZSA-N 2 0 267.373 -0.171 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001340298715 889419742 /nfs/dbraw/zinc/41/97/42/889419742.db2.gz XAEBDXXMLJWTKQ-TZMCWYRMSA-N 2 0 266.389 -0.508 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@H]([NH3+])Cc1ccccn1 ZINC001340233728 889412406 /nfs/dbraw/zinc/41/24/06/889412406.db2.gz CCPRCQBQRHSMDN-CYBMUJFWSA-N 2 0 280.372 -0.354 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC001340328266 889422862 /nfs/dbraw/zinc/42/28/62/889422862.db2.gz SCSWKRFRLZYLAY-WCQGTBRESA-N 2 0 257.378 -0.164 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC001340467725 889437541 /nfs/dbraw/zinc/43/75/41/889437541.db2.gz BKRJVZCJICLRAT-GRYCIOLGSA-N 2 0 268.405 -0.136 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1[NH2+]CC12CCOCC2)[NH+](C)C ZINC001340526315 889442188 /nfs/dbraw/zinc/44/21/88/889442188.db2.gz CHMKEECYIUHLOT-WDEREUQCSA-N 2 0 255.362 -0.179 20 0 CBADRP [NH3+]C[C@H](O)CNC(=O)[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001340643872 889459548 /nfs/dbraw/zinc/45/95/48/889459548.db2.gz KJIWCOPVQIABCV-RYUDHWBXSA-N 2 0 269.389 -0.018 20 0 CBADRP CC1([NH+]2CCCC2)CCN(C(=O)[C@H]([NH3+])CO)CC1 ZINC001340752775 889480253 /nfs/dbraw/zinc/48/02/53/889480253.db2.gz XKQNPAXXCWSPSM-LLVKDONJSA-N 2 0 255.362 -0.217 20 0 CBADRP C[C@]1(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H](O)C[NH2+]1 ZINC001340807115 889490140 /nfs/dbraw/zinc/49/01/40/889490140.db2.gz HHQVVQIDADSSSB-ZKYQVNSYSA-N 2 0 267.373 -0.300 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001340924003 889515304 /nfs/dbraw/zinc/51/53/04/889515304.db2.gz URIOUKJMWDBWCZ-MFKMUULPSA-N 2 0 268.361 -0.001 20 0 CBADRP [NH3+][C@H](CNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2)C1CC1 ZINC001340906973 889509717 /nfs/dbraw/zinc/50/97/17/889509717.db2.gz OQTKGGFEPLPHHB-MFKMUULPSA-N 2 0 266.345 -0.262 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N(C)C1CC[NH+](C)CC1 ZINC001340907244 889509755 /nfs/dbraw/zinc/50/97/55/889509755.db2.gz IAJCRJBLSFDXFB-ZYHUDNBSSA-N 2 0 257.378 -0.245 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001340915737 889511730 /nfs/dbraw/zinc/51/17/30/889511730.db2.gz JFZHCURLSBKTLX-NNYUYHANSA-N 2 0 255.362 -0.444 20 0 CBADRP CN(CCCCCC[NH3+])C(=O)[C@@H]1C[NH2+]CCN1C ZINC001340954936 889524041 /nfs/dbraw/zinc/52/40/41/889524041.db2.gz UDAYPDQQVLWWSW-LBPRGKRZSA-N 2 0 256.394 -0.133 20 0 CBADRP [NH3+][C@H](CC1CC1)C(=O)NCCN1CCC([NH3+])CC1 ZINC001341056988 889535317 /nfs/dbraw/zinc/53/53/17/889535317.db2.gz RNCHYZGBBQFMNZ-GFCCVEGCSA-N 2 0 254.378 -0.347 20 0 CBADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001341099470 889541221 /nfs/dbraw/zinc/54/12/21/889541221.db2.gz IWXAWBJKANABTA-GXTWGEPZSA-N 2 0 268.405 -0.085 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC001341098375 889542608 /nfs/dbraw/zinc/54/26/08/889542608.db2.gz SJMVTYIXEZDVQI-NWDGAFQWSA-N 2 0 254.378 -0.476 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC001341098377 889543112 /nfs/dbraw/zinc/54/31/12/889543112.db2.gz SJMVTYIXEZDVQI-VXGBXAGGSA-N 2 0 254.378 -0.476 20 0 CBADRP [NH3+]C1(C(=O)N2CCC[C@]([NH3+])(CO)C2)CC2(CCC2)C1 ZINC001341239203 889562297 /nfs/dbraw/zinc/56/22/97/889562297.db2.gz OIPRMOZANCJEEW-CYBMUJFWSA-N 2 0 267.373 -0.040 20 0 CBADRP O=C(NCCCCCN1CC[NH2+]CC1)[C@@H]1C[NH2+]CCO1 ZINC001341190680 889557395 /nfs/dbraw/zinc/55/73/95/889557395.db2.gz IVMOMBGRDVTWAC-ZDUSSCGKSA-N 2 0 284.404 -0.834 20 0 CBADRP [NH3+]CCCOCCNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001341472626 889604962 /nfs/dbraw/zinc/60/49/62/889604962.db2.gz KLUCJBPLCFGEKE-ZDUSSCGKSA-N 2 0 284.360 -0.634 20 0 CBADRP C[C@@]1(C(=O)N2C3CCC2(C[NH3+])CC3)C[C@H](O)C[NH2+]1 ZINC001341506823 889609551 /nfs/dbraw/zinc/60/95/51/889609551.db2.gz CVLQFCFIWUWMEH-QCNJJUDDSA-N 2 0 253.346 -0.418 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC001341514159 889610813 /nfs/dbraw/zinc/61/08/13/889610813.db2.gz GQQCQXIUFBNHIY-SGMGOOAPSA-N 2 0 267.373 -0.177 20 0 CBADRP CN1CCN(C)CCN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC001341511931 889612088 /nfs/dbraw/zinc/61/20/88/889612088.db2.gz MOPKIMQFNAMGDI-STQMWFEESA-N 2 0 286.395 -0.360 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001341553798 889620211 /nfs/dbraw/zinc/62/02/11/889620211.db2.gz BQDZIWFPLBREJY-LKSINWNRSA-N 2 0 269.389 -0.066 20 0 CBADRP C[C@H]1C[NH+](CCCCNC(=O)[C@H]([NH3+])CO)C[C@H](C)O1 ZINC001341569866 889623385 /nfs/dbraw/zinc/62/33/85/889623385.db2.gz ADGRYJBZJYBBBA-SDDRHHMPSA-N 2 0 273.377 -0.688 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001341622000 889634131 /nfs/dbraw/zinc/63/41/31/889634131.db2.gz DRPYXKUVPOWUKS-AAEUAGOBSA-N 2 0 255.362 -0.312 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC001341653693 889640455 /nfs/dbraw/zinc/64/04/55/889640455.db2.gz WZUMJAINZUAXQT-WYUUTHIRSA-N 2 0 255.362 -0.288 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCOCC1 ZINC001341665457 889644865 /nfs/dbraw/zinc/64/48/65/889644865.db2.gz MGQBFLNHWORXRZ-SDDRHHMPSA-N 2 0 267.373 -0.192 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001341675586 889644929 /nfs/dbraw/zinc/64/49/29/889644929.db2.gz LMKLCJWYPNTXCZ-XZUYRWCXSA-N 2 0 255.362 -0.539 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001341675584 889645302 /nfs/dbraw/zinc/64/53/02/889645302.db2.gz LMKLCJWYPNTXCZ-BLFANLJRSA-N 2 0 255.362 -0.539 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001341672956 889646677 /nfs/dbraw/zinc/64/66/77/889646677.db2.gz RHJKBJAPNCQWLQ-UMNHJUIQSA-N 2 0 255.362 -0.444 20 0 CBADRP C[N@H+](CCNC(=O)C[C@]1(O)CCC[NH2+]C1)C1CC1 ZINC001341672680 889646831 /nfs/dbraw/zinc/64/68/31/889646831.db2.gz LPILSEKWYVLFRP-CYBMUJFWSA-N 2 0 255.362 -0.299 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC001341683752 889647920 /nfs/dbraw/zinc/64/79/20/889647920.db2.gz IXSKSHAUCSTYJT-UTUOFQBUSA-N 2 0 257.378 -0.245 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001341717261 889652925 /nfs/dbraw/zinc/65/29/25/889652925.db2.gz OVFWAIWRWTZASH-WCQYABFASA-N 2 0 257.378 -0.053 20 0 CBADRP C[NH2+]CCC1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001341748748 889656921 /nfs/dbraw/zinc/65/69/21/889656921.db2.gz SBKNONRUGRVBPQ-JSGCOSHPSA-N 2 0 269.389 -0.053 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001341747100 889658185 /nfs/dbraw/zinc/65/81/85/889658185.db2.gz DSTJJICIYSTAMS-YPMHNXCESA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CNCC[NH3+] ZINC001341815290 889668111 /nfs/dbraw/zinc/66/81/11/889668111.db2.gz QDTKJTZSDSFLBW-LBPRGKRZSA-N 2 0 272.393 -0.896 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001341940482 889686549 /nfs/dbraw/zinc/68/65/49/889686549.db2.gz KDLKGHGLGJHMFG-GRYCIOLGSA-N 2 0 256.394 -0.280 20 0 CBADRP C[C@H](NC(=O)[C@H]1CCC[NH2+]1)[C@H]1C[N@H+](C)CCN1C ZINC001341940621 889687038 /nfs/dbraw/zinc/68/70/38/889687038.db2.gz OBQLAUZNPILTOB-QJPTWQEYSA-N 2 0 254.378 -0.511 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001342021531 889696694 /nfs/dbraw/zinc/69/66/94/889696694.db2.gz LYPKEHUCYLSBCJ-UTUOFQBUSA-N 2 0 255.362 -0.361 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)N[C@H]1C[NH2+]CC12CC2 ZINC001342200454 889730364 /nfs/dbraw/zinc/73/03/64/889730364.db2.gz IGSPAFRFEWBHSR-MNOVXSKESA-N 2 0 253.346 -0.377 20 0 CBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001342331253 889755099 /nfs/dbraw/zinc/75/50/99/889755099.db2.gz ITFRPBXDUYIIGU-UTUOFQBUSA-N 2 0 257.378 -0.067 20 0 CBADRP [NH3+]CCNCC(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC001342347722 889755619 /nfs/dbraw/zinc/75/56/19/889755619.db2.gz JHIRYRAJVPVPBU-UHFFFAOYSA-N 2 0 264.329 -0.581 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001342391391 889766514 /nfs/dbraw/zinc/76/65/14/889766514.db2.gz FNUSLQGXAHCAHF-LOWDOPEQSA-N 2 0 269.389 -0.245 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001342393073 889767213 /nfs/dbraw/zinc/76/72/13/889767213.db2.gz SGBJAHUIZMLJJE-YFKTTZPYSA-N 2 0 252.362 -0.772 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001342391173 889767766 /nfs/dbraw/zinc/76/77/66/889767766.db2.gz BZSLXXUDJDSVLK-UZWSLXQKSA-N 2 0 253.346 -0.534 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCN1CCC([NH3+])CC1 ZINC001342462148 889782550 /nfs/dbraw/zinc/78/25/50/889782550.db2.gz PUOBNECXCBLEDZ-JQWIXIFHSA-N 2 0 254.378 -0.476 20 0 CBADRP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)N(C)C ZINC001444035962 912334566 /nfs/dbraw/zinc/33/45/66/912334566.db2.gz NOYMRKWDMRVJAL-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001342697179 889818859 /nfs/dbraw/zinc/81/88/59/889818859.db2.gz ZCILDLHYGDOCJL-XQQFMLRXSA-N 2 0 267.373 -0.204 20 0 CBADRP [NH3+][C@H](C(=O)N1CCNCC[NH2+]CC1)c1ccccc1 ZINC001342704915 889819080 /nfs/dbraw/zinc/81/90/80/889819080.db2.gz OMLZUMNLGFULMK-ZDUSSCGKSA-N 2 0 262.357 -0.292 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC001342994226 889852907 /nfs/dbraw/zinc/85/29/07/889852907.db2.gz KTSGDOKHARWENA-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001343035583 889859289 /nfs/dbraw/zinc/85/92/89/889859289.db2.gz YYDUVECMGBYABU-AAEUAGOBSA-N 2 0 254.378 -0.380 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001343474315 889916818 /nfs/dbraw/zinc/91/68/18/889916818.db2.gz VGAGYAFVZJWHRT-QWHCGFSZSA-N 2 0 285.388 -0.720 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NC[C@@H]1CCC[NH2+]CC1 ZINC001343715880 889957280 /nfs/dbraw/zinc/95/72/80/889957280.db2.gz XDMPBJKSXJASTP-GFCCVEGCSA-N 2 0 254.378 -0.603 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1cnn(C)n1 ZINC001444409424 912442029 /nfs/dbraw/zinc/44/20/29/912442029.db2.gz QYWFYAACWVDNCN-LBPRGKRZSA-N 2 0 294.403 -0.247 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1cnn(C)n1 ZINC001444409421 912443579 /nfs/dbraw/zinc/44/35/79/912443579.db2.gz QYWFYAACWVDNCN-GFCCVEGCSA-N 2 0 294.403 -0.247 20 0 CBADRP [NH3+]C[C@H](O)CNC(=O)c1ccc2c(c1)OCC[NH2+]C2 ZINC001344043807 889997385 /nfs/dbraw/zinc/99/73/85/889997385.db2.gz KXJANGUJEDIDHH-NSHDSACASA-N 2 0 265.313 -0.782 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CN1C(=O)CC[NH+](C)C ZINC001444449540 912451711 /nfs/dbraw/zinc/45/17/11/912451711.db2.gz JKIKPDFLTGLTQD-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[NH2+]CCC(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001344368977 890019004 /nfs/dbraw/zinc/01/90/04/890019004.db2.gz OTZUEZNGRZOPDB-GFCCVEGCSA-N 2 0 257.378 -0.053 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC2([NH2+]CC(N)=O)CCCC2)CC1 ZINC001444517945 912462816 /nfs/dbraw/zinc/46/28/16/912462816.db2.gz GBQGFLKJPQLMGW-UHFFFAOYSA-N 2 0 296.415 -0.168 20 0 CBADRP O=C([C@@H]1[NH2+]CC12CCOCC2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001344410926 890023757 /nfs/dbraw/zinc/02/37/57/890023757.db2.gz NGNNOTKEWYHXMY-DCAQKATOSA-N 2 0 251.330 -0.672 20 0 CBADRP COC(=O)CCCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001345607212 890146353 /nfs/dbraw/zinc/14/63/53/890146353.db2.gz VTEJGNYJDDNAPW-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001345955143 890185615 /nfs/dbraw/zinc/18/56/15/890185615.db2.gz CGJLIMSAEUUAKS-GXTWGEPZSA-N 3 0 268.405 -0.146 20 0 CBADRP NC(=O)C1([NH2+]CC(=O)N2CC[NH2+]CC2)CCCCC1 ZINC001346018301 890197261 /nfs/dbraw/zinc/19/72/61/890197261.db2.gz TWFAVMVYPKJOCG-UHFFFAOYSA-N 2 0 268.361 -0.804 20 0 CBADRP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001445151628 912582813 /nfs/dbraw/zinc/58/28/13/912582813.db2.gz JCUUBTVSBBVFIU-STQMWFEESA-N 2 0 295.387 -0.919 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001346537180 890318841 /nfs/dbraw/zinc/31/88/41/890318841.db2.gz HLBQXFDEZDGFQG-NOOOWODRSA-N 2 0 252.362 -0.012 20 0 CBADRP C[NH2+]C(C)(C)c1cn(CCN2CC[NH+](C)CC2)nn1 ZINC001346588953 890328672 /nfs/dbraw/zinc/32/86/72/890328672.db2.gz TVWFBRTZCFUVQE-UHFFFAOYSA-N 2 0 266.393 -0.020 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC1([NH3+])CC1 ZINC001346633368 890334247 /nfs/dbraw/zinc/33/42/47/890334247.db2.gz OSOAISYPWPBTLF-SNVBAGLBSA-N 2 0 255.366 -0.977 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001445358120 912647269 /nfs/dbraw/zinc/64/72/69/912647269.db2.gz YCAKNXVZJKVXBR-YPMHNXCESA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001347060785 890396237 /nfs/dbraw/zinc/39/62/37/890396237.db2.gz ILNGVNMIKYDZOK-ZETCQYMHSA-N 2 0 268.321 -0.823 20 0 CBADRP C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)[C@H]1CCO ZINC001347144809 890415172 /nfs/dbraw/zinc/41/51/72/890415172.db2.gz BJUPCLCWTJLGBC-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)NC(=O)CCC[NH+](C)C ZINC001445434444 912664906 /nfs/dbraw/zinc/66/49/06/912664906.db2.gz FOCJWEORKXVDSO-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@@H]1CCO[C@@H]1C[NH3+])C(F)F ZINC001347156724 890418687 /nfs/dbraw/zinc/41/86/87/890418687.db2.gz CDIRVXKFTVPLSB-GJMOJQLCSA-N 2 0 251.277 -0.551 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001445455722 912670327 /nfs/dbraw/zinc/67/03/27/912670327.db2.gz NELTWRRLAFIXIB-VXGBXAGGSA-N 2 0 297.403 -0.467 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001445568156 912701190 /nfs/dbraw/zinc/70/11/90/912701190.db2.gz QPBXLGSJAXRZNX-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001445604066 912710030 /nfs/dbraw/zinc/71/00/30/912710030.db2.gz HELDWSPEAQKFFZ-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@@H]([NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1)C(N)=O ZINC001445647312 912725354 /nfs/dbraw/zinc/72/53/54/912725354.db2.gz JKHRPQGHLSNJAZ-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001445660882 912729581 /nfs/dbraw/zinc/72/95/81/912729581.db2.gz XDPRSBBCBSIQRU-LBPRGKRZSA-N 2 0 286.420 -0.055 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001445866621 912777377 /nfs/dbraw/zinc/77/73/77/912777377.db2.gz HKEHLUBSNAUOJN-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001445967248 912791307 /nfs/dbraw/zinc/79/13/07/912791307.db2.gz KYFIFYWPEWWDRP-LLVKDONJSA-N 2 0 270.377 -0.832 20 0 CBADRP C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)[C@H]1C[NH3+] ZINC000911825273 884597116 /nfs/dbraw/zinc/59/71/16/884597116.db2.gz NTOJPQKFXHCXFC-UPJWGTAASA-N 2 0 296.415 -0.231 20 0 CBADRP O=C(NCC1CC([NH2+]CCO)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001091346122 884648961 /nfs/dbraw/zinc/64/89/61/884648961.db2.gz VXTAZVICYHJYAC-PIMMBPRGSA-N 2 0 281.400 -0.051 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CCO)C1 ZINC001091100402 884649260 /nfs/dbraw/zinc/64/92/60/884649260.db2.gz SAUNOEVAHDKUAE-WXRRBKDZSA-N 2 0 269.389 -0.053 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CCOCCO ZINC001152426472 884676126 /nfs/dbraw/zinc/67/61/26/884676126.db2.gz JGXDAGSHVWUZCG-UHFFFAOYSA-N 2 0 261.366 -0.959 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001446280311 912856324 /nfs/dbraw/zinc/85/63/24/912856324.db2.gz WONHLYFBUIMWEE-GHMZBOCLSA-N 2 0 282.388 -0.689 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1([NH2+][C@H]2CCCNC2=O)CC1 ZINC001446255352 912851286 /nfs/dbraw/zinc/85/12/86/912851286.db2.gz CWRLRRLFIIANRA-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001187321522 884718728 /nfs/dbraw/zinc/71/87/28/884718728.db2.gz BXRUCPKRPVEOJS-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001188158209 884722459 /nfs/dbraw/zinc/72/24/59/884722459.db2.gz HJIAVEYKXACXFT-CYBMUJFWSA-N 2 0 294.403 -0.191 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC([NH2+]CCO)CC1 ZINC001203459754 884749813 /nfs/dbraw/zinc/74/98/13/884749813.db2.gz JKQROOMCBXGPCQ-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP CC(=O)N1CCC[C@@H](C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001206464537 884758101 /nfs/dbraw/zinc/75/81/01/884758101.db2.gz PWVFTHPAVSFCHQ-RWMBFGLXSA-N 2 0 255.362 -0.504 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001210811967 884765290 /nfs/dbraw/zinc/76/52/90/884765290.db2.gz SEUGBQKYSMJNPY-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@H]1[NH2+]CC[C@@H]1O ZINC001219795549 884791663 /nfs/dbraw/zinc/79/16/63/884791663.db2.gz CNMLUOHWBNRIBN-KBPBESRZSA-N 3 0 296.415 -0.958 20 0 CBADRP N[C@@]1(C(=O)NC2CC[NH+](C3CC[NH2+]CC3)CC2)CC[NH2+]C1 ZINC001219796354 884791818 /nfs/dbraw/zinc/79/18/18/884791818.db2.gz WYNDRZKYOCQCNA-HNNXBMFYSA-N 3 0 295.431 -0.990 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC001326027485 884875876 /nfs/dbraw/zinc/87/58/76/884875876.db2.gz TUPAHYWHCZHDEI-NSHDSACASA-N 2 0 280.376 -0.302 20 0 CBADRP O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1C[C@@H]1CC[NH2+]C1 ZINC001326051603 884885495 /nfs/dbraw/zinc/88/54/95/884885495.db2.gz CQLKZXGUDIQFFJ-SKDRFNHKSA-N 2 0 252.318 -0.730 20 0 CBADRP C[NH2+]CCNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC001326074824 884897482 /nfs/dbraw/zinc/89/74/82/884897482.db2.gz LQMJYHQUTYPLPL-UHFFFAOYSA-N 2 0 266.349 -0.540 20 0 CBADRP CN1CCN(C(=O)c2ccnc(C[NH3+])c2)[C@H](C[NH3+])C1 ZINC001326088853 884902770 /nfs/dbraw/zinc/90/27/70/884902770.db2.gz YUNGZIBIHXJQQQ-GFCCVEGCSA-N 2 0 263.345 -0.745 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001326126273 884917345 /nfs/dbraw/zinc/91/73/45/884917345.db2.gz GDVSBZXLPPPAMG-JLLWLGSASA-N 2 0 255.362 -0.064 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CCC2(CC[NH2+]2)CC1 ZINC001326144784 884918811 /nfs/dbraw/zinc/91/88/11/884918811.db2.gz NZMCRJBITWWCCZ-NSHDSACASA-N 2 0 253.346 -0.281 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001326146227 884918938 /nfs/dbraw/zinc/91/89/38/884918938.db2.gz FKAGGRJELJOTBP-AXFHLTTASA-N 2 0 270.377 -0.561 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2nccs2)CC1 ZINC001326145823 884920055 /nfs/dbraw/zinc/92/00/55/884920055.db2.gz GDILXENUDFPCFA-GFCCVEGCSA-N 2 0 284.429 -0.117 20 0 CBADRP C[NH2+]CCCN(C)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC001326137059 884920328 /nfs/dbraw/zinc/92/03/28/884920328.db2.gz BOOIUBXSKWTUOJ-UHFFFAOYSA-N 2 0 251.334 -0.263 20 0 CBADRP C[C@@H](O)C[NH2+]CCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001326135628 884921120 /nfs/dbraw/zinc/92/11/20/884921120.db2.gz XZBMZDOXGINPND-OLZOCXBDSA-N 2 0 287.404 -0.881 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(CCO)CC[NH2+]CCO ZINC001326149244 884924263 /nfs/dbraw/zinc/92/42/63/884924263.db2.gz UPRZCZUMLVUJLX-CYBMUJFWSA-N 2 0 287.404 -0.736 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001326165140 884931568 /nfs/dbraw/zinc/93/15/68/884931568.db2.gz IQGGLBDLWDGWHH-VHSXEESVSA-N 2 0 261.391 -0.357 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001446435175 912879917 /nfs/dbraw/zinc/87/99/17/912879917.db2.gz ITTXATNXZLSSHM-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)NC2CC[NH2+]CC2)nn1 ZINC001326261199 884961067 /nfs/dbraw/zinc/96/10/67/884961067.db2.gz RYKXBFJCZNZIIV-UHFFFAOYSA-N 2 0 266.349 -0.501 20 0 CBADRP C[C@@H]1CCCN(CC(=O)N2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC001326275867 884966245 /nfs/dbraw/zinc/96/62/45/884966245.db2.gz NVXXUTUKNUHPEY-NEPJUHHUSA-N 2 0 254.378 -0.523 20 0 CBADRP CCOC(=O)[C@@H]1CNCCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC001326310044 884980025 /nfs/dbraw/zinc/98/00/25/884980025.db2.gz USPVFZRJPCZYFO-VHSXEESVSA-N 2 0 269.345 -0.652 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCO)C1 ZINC001326329523 884987573 /nfs/dbraw/zinc/98/75/73/884987573.db2.gz CEPUIAAXLWJPMA-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@@H]2CCC[NH2+]C2)nn1 ZINC001326353658 885001914 /nfs/dbraw/zinc/00/19/14/885001914.db2.gz NDZHBJZTLCCSMZ-SECBINFHSA-N 2 0 252.322 -0.891 20 0 CBADRP C[NH2+]CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001326361545 885003503 /nfs/dbraw/zinc/00/35/03/885003503.db2.gz OITPVYOIGBWVPB-SECBINFHSA-N 2 0 252.322 -0.848 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC001326375118 885012517 /nfs/dbraw/zinc/01/25/17/885012517.db2.gz GYUGMZTYYOAGSD-BDAKNGLRSA-N 2 0 263.345 -0.135 20 0 CBADRP C[NH+](C)CCC(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001446460739 912891482 /nfs/dbraw/zinc/89/14/82/912891482.db2.gz FDRUBLVWIOMYJS-ZDUSSCGKSA-N 2 0 296.415 -0.439 20 0 CBADRP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Cn1ccnn1 ZINC001326582812 885073874 /nfs/dbraw/zinc/07/38/74/885073874.db2.gz RYVVCVXGLRQASH-YVECIDJPSA-N 2 0 265.361 -0.383 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC001326591597 885078415 /nfs/dbraw/zinc/07/84/15/885078415.db2.gz STTGLAIPERAPIX-UHFFFAOYSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](N)CC[NH+](C)C)C1 ZINC001326625347 885093884 /nfs/dbraw/zinc/09/38/84/885093884.db2.gz BPXJHVLQPASZCS-QJPTWQEYSA-N 2 0 256.394 -0.149 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]CC2)CCCO1 ZINC001326626216 885095956 /nfs/dbraw/zinc/09/59/56/885095956.db2.gz INXGPJDTXZNCGV-NEPJUHHUSA-N 2 0 255.362 -0.048 20 0 CBADRP CN1CCC([NH+]2CCC(NC(=O)COCC[NH3+])CC2)CC1 ZINC001326783317 885144298 /nfs/dbraw/zinc/14/42/98/885144298.db2.gz GFUOORWTPCPEEY-UHFFFAOYSA-N 2 0 298.431 -0.364 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC001326805988 885155742 /nfs/dbraw/zinc/15/57/42/885155742.db2.gz CYVJETGFEIUECW-TYNCELHUSA-N 2 0 296.415 -0.360 20 0 CBADRP C[NH2+]CCN(C)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001326833578 885169036 /nfs/dbraw/zinc/16/90/36/885169036.db2.gz AVLSZBRDKZPBHO-JTQLQIEISA-N 2 0 266.349 -0.506 20 0 CBADRP Cc1c(C(=O)N[C@@H](C)C[NH3+])nnn1C1CC[NH2+]CC1 ZINC001326863428 885175743 /nfs/dbraw/zinc/17/57/43/885175743.db2.gz PAHCINHCTKVQCW-QMMMGPOBSA-N 2 0 266.349 -0.412 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001326886922 885183022 /nfs/dbraw/zinc/18/30/22/885183022.db2.gz VWUIYZMIJGELIL-MXWKQRLJSA-N 2 0 262.375 -0.605 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)nn1 ZINC001326898457 885188436 /nfs/dbraw/zinc/18/84/36/885188436.db2.gz KLCUWCZXZLYACE-GFCCVEGCSA-N 2 0 292.387 -0.111 20 0 CBADRP COCC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001327017276 885224447 /nfs/dbraw/zinc/22/44/47/885224447.db2.gz AVAYMDWXSARJIA-ZDUSSCGKSA-N 2 0 299.415 -0.208 20 0 CBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001327056519 885236407 /nfs/dbraw/zinc/23/64/07/885236407.db2.gz SZDJELPFPUNJKD-ZJUUUORDSA-N 2 0 270.377 -0.561 20 0 CBADRP CCOC(=O)[C@H]1C[NH2+]CCN1CC[C@@H]1CC[NH2+]C1 ZINC001327087980 885251210 /nfs/dbraw/zinc/25/12/10/885251210.db2.gz WAMSUYUGZPRFAQ-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001327107125 885256563 /nfs/dbraw/zinc/25/65/63/885256563.db2.gz KJXSITYQLAVNEM-UHFFFAOYSA-N 2 0 268.361 -0.947 20 0 CBADRP C[NH+](C/C=C/C[N@H+](C)CCC(N)=O)CCC(N)=O ZINC001327618481 885432745 /nfs/dbraw/zinc/43/27/45/885432745.db2.gz CAPNHYBNJIZIEO-ONEGZZNKSA-N 2 0 256.350 -0.843 20 0 CBADRP C[C@]12COC[C@@H]1C[N@H+](CC(=O)N1CC[NH2+]CC1)C2 ZINC001327560781 885404224 /nfs/dbraw/zinc/40/42/24/885404224.db2.gz AFDTYKKKARXVGF-AAEUAGOBSA-N 2 0 253.346 -0.614 20 0 CBADRP CC[NH2+]CC(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC001327613047 885429921 /nfs/dbraw/zinc/42/99/21/885429921.db2.gz FXWYEGXOBOMELI-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP [NH3+]Cc1cc(C(=O)N2CCOC3(C[NH2+]C3)C2)co1 ZINC001327633128 885434824 /nfs/dbraw/zinc/43/48/24/885434824.db2.gz PZQLDPRCIDEOFH-UHFFFAOYSA-N 2 0 251.286 -0.447 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCOCCF)CC1 ZINC001327641061 885439094 /nfs/dbraw/zinc/43/90/94/885439094.db2.gz OKYDTANSJOFANG-GFCCVEGCSA-N 2 0 263.357 -0.830 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2C[NH2+]CCC2(F)F)=NO1 ZINC001327929533 885532888 /nfs/dbraw/zinc/53/28/88/885532888.db2.gz REDWYWYOEQLLMG-XPUUQOCRSA-N 2 0 262.260 -0.797 20 0 CBADRP Cn1cc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cn1 ZINC001327975979 885544340 /nfs/dbraw/zinc/54/43/40/885544340.db2.gz URWNGGICJYTKDL-ZDUSSCGKSA-N 2 0 267.377 -0.882 20 0 CBADRP CC(C)NC(=O)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001327974648 885544386 /nfs/dbraw/zinc/54/43/86/885544386.db2.gz BOKLBLZARZIZSW-ZDUSSCGKSA-N 2 0 286.420 -0.901 20 0 CBADRP COCCOC[C@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001327978737 885546195 /nfs/dbraw/zinc/54/61/95/885546195.db2.gz RIIUFWYTQBTVSW-UONOGXRCSA-N 2 0 289.420 -0.764 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C[NH2+]C3CC3)C[C@H]2[NH3+])cn1 ZINC001328336928 885639953 /nfs/dbraw/zinc/63/99/53/885639953.db2.gz IGESBUOFQDFYGR-NWDGAFQWSA-N 2 0 263.345 -0.575 20 0 CBADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001328401413 885672262 /nfs/dbraw/zinc/67/22/62/885672262.db2.gz YIVBGPBINVSQDM-CHWSQXEVSA-N 3 0 268.405 -0.275 20 0 CBADRP O[C@@H]1CCC[C@@H]1[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC001328438522 885687893 /nfs/dbraw/zinc/68/78/93/885687893.db2.gz ZTUJOXHHXHTDGR-MELADBBJSA-N 2 0 269.389 -0.494 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001328455024 885693111 /nfs/dbraw/zinc/69/31/11/885693111.db2.gz MVRAKQNSECWDJR-ZIAGYGMSSA-N 2 0 298.431 -0.506 20 0 CBADRP C[NH+](C)C1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC001328453981 885693892 /nfs/dbraw/zinc/69/38/92/885693892.db2.gz AJRVQVJQOCKKNF-NEPJUHHUSA-N 2 0 255.362 -0.097 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001328522403 885714990 /nfs/dbraw/zinc/71/49/90/885714990.db2.gz MFGMDEPXTYRVPN-MNOVXSKESA-N 2 0 268.361 -0.948 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC001328524313 885716042 /nfs/dbraw/zinc/71/60/42/885716042.db2.gz IQVKYUMDOYMPGU-WDEREUQCSA-N 2 0 255.362 -0.184 20 0 CBADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC001328581241 885733143 /nfs/dbraw/zinc/73/31/43/885733143.db2.gz IZJMTFPWXHSEHO-UKRRQHHQSA-N 2 0 281.400 -0.051 20 0 CBADRP [NH3+]C[C@]12CCC[C@H]1CN(CC(=O)N1CC[NH2+]CC1)C2 ZINC001328730684 885795898 /nfs/dbraw/zinc/79/58/98/885795898.db2.gz OUDNMIRXIWNZIL-JSGCOSHPSA-N 2 0 266.389 -0.521 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NCCCC[NH+]1CCOCC1 ZINC001328839607 885825619 /nfs/dbraw/zinc/82/56/19/885825619.db2.gz DMZHVDAPRFXFNC-ZDUSSCGKSA-N 2 0 286.420 -0.506 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001328839324 885827139 /nfs/dbraw/zinc/82/71/39/885827139.db2.gz AZFUGODCCZKCET-YPMHNXCESA-N 2 0 254.378 -0.523 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NCCCC[NH+]1CCOCC1 ZINC001328839606 885827341 /nfs/dbraw/zinc/82/73/41/885827341.db2.gz DMZHVDAPRFXFNC-CYBMUJFWSA-N 2 0 286.420 -0.506 20 0 CBADRP C[C@@H]([NH2+]CCO)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001446937356 912982262 /nfs/dbraw/zinc/98/22/62/912982262.db2.gz CSDFJSUNDOSEAH-OLZOCXBDSA-N 2 0 281.400 -0.099 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCn2cccn2)CC1 ZINC001329135003 885945621 /nfs/dbraw/zinc/94/56/21/885945621.db2.gz PTDHENSMFXTZEY-AWEZNQCLSA-N 2 0 281.404 -0.529 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccccn2)CC1 ZINC001329135390 885946340 /nfs/dbraw/zinc/94/63/40/885946340.db2.gz RSMCWUIDZQLTJC-AWEZNQCLSA-N 2 0 264.373 -0.221 20 0 CBADRP C[C@H](C[NH2+]CCC(=O)NC(N)=O)CN1CC[NH+](C)CC1 ZINC001329142423 885948743 /nfs/dbraw/zinc/94/87/43/885948743.db2.gz QBJDBBYWFSZYPO-LLVKDONJSA-N 2 0 285.392 -0.956 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)C12CCC[NH+]1CCC2 ZINC001329196550 885964761 /nfs/dbraw/zinc/96/47/61/885964761.db2.gz SDKDIFMVLNGUBK-GFCCVEGCSA-N 2 0 267.373 -0.202 20 0 CBADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC001329223825 885970276 /nfs/dbraw/zinc/97/02/76/885970276.db2.gz WGJVNBXEKAXKCC-CYDGBPFRSA-N 2 0 257.378 -0.605 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)NCCC[NH+]1CCC(O)CC1 ZINC001329283601 885996675 /nfs/dbraw/zinc/99/66/75/885996675.db2.gz LMPQCLPBUJMCEC-CYBMUJFWSA-N 2 0 285.388 -0.672 20 0 CBADRP O=C(CN1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC001329317508 886014984 /nfs/dbraw/zinc/01/49/84/886014984.db2.gz ZTIRASILTNSJES-OLZOCXBDSA-N 2 0 266.389 -0.508 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)nn1 ZINC001329367900 886035470 /nfs/dbraw/zinc/03/54/70/886035470.db2.gz DLXRINVTEDKPIU-WDEREUQCSA-N 2 0 280.376 -0.126 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001329446830 886072791 /nfs/dbraw/zinc/07/27/91/886072791.db2.gz KJPHQVAQAJYHLF-MNOVXSKESA-N 2 0 282.388 -0.608 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(CO)CCC[NH+](CCCO)C2)C1 ZINC001447039221 913004895 /nfs/dbraw/zinc/00/48/95/913004895.db2.gz KFBIHJMAIIVDQI-HIFRSBDPSA-N 2 0 299.415 -0.736 20 0 CBADRP [NH3+]CCN1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001329499012 886097733 /nfs/dbraw/zinc/09/77/33/886097733.db2.gz LJDGWALLHMHEJG-RYUDHWBXSA-N 2 0 267.377 -0.835 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3CC[NH2+]3)C2)nn1 ZINC001329497926 886098114 /nfs/dbraw/zinc/09/81/14/886098114.db2.gz AHEJXADFCOMUIJ-GHMZBOCLSA-N 2 0 264.333 -0.738 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CN[C@H]2CCC[NH2+]CC2)n1 ZINC001329568385 886125459 /nfs/dbraw/zinc/12/54/59/886125459.db2.gz FKOUCAVPQKAEHE-VIFPVBQESA-N 2 0 251.334 -0.127 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001329600675 886138502 /nfs/dbraw/zinc/13/85/02/886138502.db2.gz CNHOXCWORUHFJB-VIFPVBQESA-N 2 0 266.349 -0.330 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NCCC1CC[NH2+]CC1 ZINC001329783953 886208767 /nfs/dbraw/zinc/20/87/67/886208767.db2.gz AHHBCHXDLILBGS-GFCCVEGCSA-N 2 0 256.394 -0.229 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001329838260 886233421 /nfs/dbraw/zinc/23/34/21/886233421.db2.gz OLCQNRJJJNQEIN-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C/C=C\C[N@@H+](C)[C@@H]1CCNC1=O)[C@H]1CCNC1=O ZINC001329862248 886244480 /nfs/dbraw/zinc/24/44/80/886244480.db2.gz HUQGDDLZKDEXNE-XVGAQQEPSA-N 2 0 280.372 -0.817 20 0 CBADRP Cn1cc([C@@H]2CN(C[C@H]3C[NH2+]CCO3)C[C@H]2[NH3+])cn1 ZINC001329924687 886279778 /nfs/dbraw/zinc/27/97/78/886279778.db2.gz AUVKDMCSBVELDN-FRRDWIJNSA-N 2 0 265.361 -0.865 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)c2cn(CC[NH3+])nn2)C1 ZINC001329925401 886281513 /nfs/dbraw/zinc/28/15/13/886281513.db2.gz ITPSRGZKMXDIAL-VIFPVBQESA-N 2 0 252.322 -0.939 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC001329948687 886296178 /nfs/dbraw/zinc/29/61/78/886296178.db2.gz DUAMVNAQBZERLO-TXEJJXNPSA-N 2 0 296.415 -0.347 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001330024518 886330797 /nfs/dbraw/zinc/33/07/97/886330797.db2.gz RFTDWLJVOICEBO-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP O=C(CC[NH2+]CC1CC1)N1CCOC2(C[NH2+]C2)C1 ZINC001330033469 886331863 /nfs/dbraw/zinc/33/18/63/886331863.db2.gz BOINIWJXVYTDIX-UHFFFAOYSA-N 2 0 253.346 -0.423 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001330057298 886340752 /nfs/dbraw/zinc/34/07/52/886340752.db2.gz OPAHMSDIVWIPFG-QJPTWQEYSA-N 2 0 282.388 -0.737 20 0 CBADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC001330187026 886382657 /nfs/dbraw/zinc/38/26/57/886382657.db2.gz WGJVNBXEKAXKCC-UMSGYPCISA-N 2 0 257.378 -0.605 20 0 CBADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC001330196698 886384063 /nfs/dbraw/zinc/38/40/63/886384063.db2.gz AXIHLPWYKBISHI-LBPRGKRZSA-N 3 0 272.393 -0.909 20 0 CBADRP C[N@H+](CCOCC[NH3+])C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC001330196697 886385225 /nfs/dbraw/zinc/38/52/25/886385225.db2.gz AXIHLPWYKBISHI-GFCCVEGCSA-N 3 0 272.393 -0.909 20 0 CBADRP C[NH2+]CCC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001330592262 886493755 /nfs/dbraw/zinc/49/37/55/886493755.db2.gz OTYQLUYGNJSFCP-LBPRGKRZSA-N 2 0 255.362 -0.035 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC001330603263 886498287 /nfs/dbraw/zinc/49/82/87/886498287.db2.gz RVCAEIQIWUQIBU-WPRPVWTQSA-N 2 0 251.334 -0.264 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001330859971 886600322 /nfs/dbraw/zinc/60/03/22/886600322.db2.gz MNAYQBNRLOXFPF-AAEUAGOBSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC001330870593 886607404 /nfs/dbraw/zinc/60/74/04/886607404.db2.gz MLXYZVKGIPDGEO-AVGNSLFASA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC001330870595 886608054 /nfs/dbraw/zinc/60/80/54/886608054.db2.gz MLXYZVKGIPDGEO-XQQFMLRXSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@H]([NH3+])CCOC)CC1 ZINC001330880943 886614319 /nfs/dbraw/zinc/61/43/19/886614319.db2.gz WTOXBVASFBMALB-CYBMUJFWSA-N 2 0 286.420 -0.506 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C(=O)[C@H](N)CC[NH+](C)C ZINC001330937724 886630923 /nfs/dbraw/zinc/63/09/23/886630923.db2.gz KSQAFHAHCCPIJJ-VXGBXAGGSA-N 2 0 256.394 -0.134 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001331052824 886659973 /nfs/dbraw/zinc/65/99/73/886659973.db2.gz KDZJKJHEWUVUKE-IVZWLZJFSA-N 2 0 250.302 -0.382 20 0 CBADRP CC1(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[NH2+]C1 ZINC001331065592 886665828 /nfs/dbraw/zinc/66/58/28/886665828.db2.gz CPLPVKXQCNSWIT-NSHDSACASA-N 2 0 267.373 -0.129 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2ccnn2)CC[N@@H+]1C ZINC001331075821 886669282 /nfs/dbraw/zinc/66/92/82/886669282.db2.gz WTTRPBSQLKGQPE-WOPDTQHZSA-N 2 0 253.350 -0.289 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC001331112650 886680120 /nfs/dbraw/zinc/68/01/20/886680120.db2.gz FOORBZRELYIQDI-GFCCVEGCSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C(C)(C)C[NH+](C)C ZINC001331150289 886694631 /nfs/dbraw/zinc/69/46/31/886694631.db2.gz REVAEHSIHOJYHT-IJLUTSLNSA-N 2 0 298.431 -0.068 20 0 CBADRP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001331159932 886702186 /nfs/dbraw/zinc/70/21/86/886702186.db2.gz DTVPSOPIPCMYAG-AAEUAGOBSA-N 2 0 292.383 -0.698 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC001331196037 886721826 /nfs/dbraw/zinc/72/18/26/886721826.db2.gz IPTIUCLNCVOBBL-AVGNSLFASA-N 2 0 294.399 -0.463 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331194961 886723233 /nfs/dbraw/zinc/72/32/33/886723233.db2.gz DHVWFZBCNMGQTL-AVGNSLFASA-N 2 0 296.415 -0.217 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC001331219452 886734672 /nfs/dbraw/zinc/73/46/72/886734672.db2.gz IPTIUCLNCVOBBL-XQQFMLRXSA-N 2 0 294.399 -0.463 20 0 CBADRP CC[N@H+](C)C[C@H](O)Cn1cc(COCC[NH3+])nn1 ZINC001331244708 886748681 /nfs/dbraw/zinc/74/86/81/886748681.db2.gz UYSZQRONWSDKAV-NSHDSACASA-N 2 0 257.338 -0.934 20 0 CBADRP C[C@@H]1CC[C@H](C[NH3+])N(CC(=O)N2CC[NH2+]CC2)[C@H]1C ZINC001331286350 886764373 /nfs/dbraw/zinc/76/43/73/886764373.db2.gz AGKCQZANWJHGIH-FRRDWIJNSA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001331319897 886773749 /nfs/dbraw/zinc/77/37/49/886773749.db2.gz QOJDJLYCGYZPMP-AXFHLTTASA-N 2 0 270.377 -0.561 20 0 CBADRP [NH3+][C@H]1CCC[C@@H](NC(=O)NCCN2CC[NH2+]CC2)C1 ZINC001331395611 886792684 /nfs/dbraw/zinc/79/26/84/886792684.db2.gz IHXNSXYUPGKXIP-NWDGAFQWSA-N 2 0 269.393 -0.539 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001331396053 886793531 /nfs/dbraw/zinc/79/35/31/886793531.db2.gz OCYCTVVEMMLYJY-HTQZYQBOSA-N 2 0 250.293 -0.122 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001331406931 886797711 /nfs/dbraw/zinc/79/77/11/886797711.db2.gz PICCISDWSISZES-UWVGGRQHSA-N 2 0 256.350 -0.998 20 0 CBADRP CN(CC[NH3+])C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001331468278 886814459 /nfs/dbraw/zinc/81/44/59/886814459.db2.gz VTUWQHIQENSHRY-QMMMGPOBSA-N 2 0 250.293 -0.169 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC001331514733 886830699 /nfs/dbraw/zinc/83/06/99/886830699.db2.gz XBYZLYLXDFPZLW-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC001331587121 886855273 /nfs/dbraw/zinc/85/52/73/886855273.db2.gz QPELBOCRFQAZDE-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP COCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001331712365 886926834 /nfs/dbraw/zinc/92/68/34/886926834.db2.gz OBTQBULNFYFLGR-CHWSQXEVSA-N 2 0 287.404 -0.428 20 0 CBADRP CC(C)(C[NH3+])Cn1cc(CC2(O)CC[NH2+]CC2)nn1 ZINC001331715520 886929888 /nfs/dbraw/zinc/92/98/88/886929888.db2.gz HIVVUKHOGWDBON-UHFFFAOYSA-N 2 0 267.377 -0.080 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)C12CCC[NH+]1CCC2 ZINC001331713367 886930380 /nfs/dbraw/zinc/93/03/80/886930380.db2.gz XDHVIHLGPYVMRS-LLVKDONJSA-N 2 0 253.346 -0.281 20 0 CBADRP C[C@H]([NH3+])C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001331724196 886935771 /nfs/dbraw/zinc/93/57/71/886935771.db2.gz CRFWCWRXSIWRMB-GXSJLCMTSA-N 2 0 268.361 -0.855 20 0 CBADRP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H]2CNC(=O)C2)C1 ZINC001331791246 886986194 /nfs/dbraw/zinc/98/61/94/886986194.db2.gz MIUCLANEVZUIJN-DGCLKSJQSA-N 2 0 255.362 -0.489 20 0 CBADRP COCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001331834146 887004436 /nfs/dbraw/zinc/00/44/36/887004436.db2.gz DVCPFRJDEMVLJD-VXGBXAGGSA-N 2 0 273.377 -0.959 20 0 CBADRP C[NH2+]CCOCCN(C)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001331849356 887012936 /nfs/dbraw/zinc/01/29/36/887012936.db2.gz IHRIUBZLXFQFRI-UHFFFAOYSA-N 2 0 294.359 -0.263 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331857946 887016768 /nfs/dbraw/zinc/01/67/68/887016768.db2.gz OGCZFDLNSIJKBQ-HAQNSBGRSA-N 2 0 272.393 -0.009 20 0 CBADRP [NH3+]Cc1cnn(Cc2cn(C3CC[NH2+]CC3)nn2)c1 ZINC001331918986 887045838 /nfs/dbraw/zinc/04/58/38/887045838.db2.gz PYEOBUGLZKZVEM-UHFFFAOYSA-N 2 0 261.333 -0.094 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC001331969354 887068922 /nfs/dbraw/zinc/06/89/22/887068922.db2.gz OIJBIOSGYFZQIE-NKWVEPMBSA-N 2 0 257.256 -0.254 20 0 CBADRP [NH3+][C@@H](CC(F)F)CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001331979944 887075350 /nfs/dbraw/zinc/07/53/50/887075350.db2.gz FLMMRVCXHFLJNI-QWRGUYRKSA-N 2 0 262.348 -0.052 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC001332190333 887147254 /nfs/dbraw/zinc/14/72/54/887147254.db2.gz WTIYTGNLSRSWHC-OPRDCNLKSA-N 2 0 263.345 -0.046 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[NH+]1CCCCC1 ZINC001332206125 887153894 /nfs/dbraw/zinc/15/38/94/887153894.db2.gz HOXLMGQJBCABMZ-AGIUHOORSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])CC[N@@H+]1C ZINC001332235918 887165433 /nfs/dbraw/zinc/16/54/33/887165433.db2.gz RGZHMXNOXAUCAG-QWRGUYRKSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H](CCC[NH3+])NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC001332243398 887166616 /nfs/dbraw/zinc/16/66/16/887166616.db2.gz OCTIIQIRIPJLLE-VHSXEESVSA-N 2 0 256.350 -0.902 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001332282746 887183072 /nfs/dbraw/zinc/18/30/72/887183072.db2.gz VFODJXPBWPSIRK-ZIAGYGMSSA-N 2 0 299.415 -0.033 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC001332287659 887183208 /nfs/dbraw/zinc/18/32/08/887183208.db2.gz MLRKJNSOKAUTKV-MXWKQRLJSA-N 2 0 282.388 -0.561 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1CC12CC[NH2+]CC2 ZINC001332283080 887183317 /nfs/dbraw/zinc/18/33/17/887183317.db2.gz XZYWJKMFQKSVPV-MNOVXSKESA-N 2 0 253.346 -0.519 20 0 CBADRP C[NH+](C)CCOCC[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC001332289140 887187146 /nfs/dbraw/zinc/18/71/46/887187146.db2.gz ZMSPXWMYDRDAOL-CYBMUJFWSA-N 2 0 290.404 -0.553 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@@H](CN2CCC[NH2+]CC2)C1 ZINC001332339092 887211279 /nfs/dbraw/zinc/21/12/79/887211279.db2.gz JQKLWAZVMNFRKT-LBPRGKRZSA-N 2 0 254.378 -0.521 20 0 CBADRP CNC(=O)C1([NH2+]C[C@@H]2CCC[NH2+]C2)CCOCC1 ZINC001332364009 887229060 /nfs/dbraw/zinc/22/90/60/887229060.db2.gz CRJNKVWJAMEFSE-LLVKDONJSA-N 2 0 255.362 -0.129 20 0 CBADRP [NH3+]C[C@H]1CC[N@H+](C[C@H](O)COC2CCOCC2)C1 ZINC001332365429 887231453 /nfs/dbraw/zinc/23/14/53/887231453.db2.gz SLOQNPNSKGBWLM-NEPJUHHUSA-N 2 0 258.362 -0.177 20 0 CBADRP C[NH2+][C@@H](C(=O)N1CCC[C@@H](C[NH3+])C1)c1cnn(C)c1 ZINC001332393561 887257548 /nfs/dbraw/zinc/25/75/48/887257548.db2.gz JUDFALTZZBNMTD-CMPLNLGQSA-N 2 0 265.361 -0.122 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001332451946 887289000 /nfs/dbraw/zinc/28/90/00/887289000.db2.gz UKKPHHNBVUWOFQ-QJPTWQEYSA-N 2 0 255.362 -0.001 20 0 CBADRP CC(C)=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001332487258 887312615 /nfs/dbraw/zinc/31/26/15/887312615.db2.gz GBFKZHKKIIXIQW-UONOGXRCSA-N 2 0 299.415 -0.308 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC001332724990 887417462 /nfs/dbraw/zinc/41/74/62/887417462.db2.gz QKMOWDNLKMZTKA-UONOGXRCSA-N 2 0 299.463 -0.592 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@H](CC[NH3+])C(F)F ZINC001332723673 887418243 /nfs/dbraw/zinc/41/82/43/887418243.db2.gz KCJUDLMOPHUXHF-HTQZYQBOSA-N 2 0 252.309 -0.636 20 0 CBADRP CN1CCO[C@@H](C(=O)N[C@@H](C[NH2+]CCO)C(C)(C)C)C1 ZINC001332776438 887429397 /nfs/dbraw/zinc/42/93/97/887429397.db2.gz SXUFKPQMJGEITJ-NEPJUHHUSA-N 2 0 287.404 -0.570 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCC(Cn3cncn3)CC2)C1 ZINC001332815248 887436786 /nfs/dbraw/zinc/43/67/86/887436786.db2.gz HEIPDQGSNUWPLO-AVGNSLFASA-N 2 0 265.361 -0.159 20 0 CBADRP CO[C@]1(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CCS(=O)(=O)C1 ZINC001332880956 887462842 /nfs/dbraw/zinc/46/28/42/887462842.db2.gz ZWTYGWPASDGHDX-VWYCJHECSA-N 2 0 264.391 -0.095 20 0 CBADRP CN(CC[N@H+](C)C1CCN(C)CC1)c1nnnn1C ZINC001332938776 887481556 /nfs/dbraw/zinc/48/15/56/887481556.db2.gz HPCGXMGRUYWUBI-UHFFFAOYSA-N 2 0 267.381 -0.328 20 0 CBADRP CC(C)[N@H+](C)C[C@@H](O)Cn1cc(COCC[NH3+])nn1 ZINC001333125514 887538313 /nfs/dbraw/zinc/53/83/13/887538313.db2.gz PKFGIDSTZYVIQW-GFCCVEGCSA-N 2 0 271.365 -0.546 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001333180201 887555481 /nfs/dbraw/zinc/55/54/81/887555481.db2.gz ZGSZOPURVUJFBN-WDEREUQCSA-N 2 0 270.377 -0.750 20 0 CBADRP C[S@](=O)C1(C(=O)NCC(C)(C)[NH3+])CC[NH2+]CC1 ZINC001333321820 887594723 /nfs/dbraw/zinc/59/47/23/887594723.db2.gz OCPWVXMHPUEJGJ-KRWDZBQOSA-N 2 0 261.391 -0.659 20 0 CBADRP C[C@H]1CCN(C(=O)c2c(C[NH3+])cnn2C)C[C@@H]1C[NH3+] ZINC001333338893 887601922 /nfs/dbraw/zinc/60/19/22/887601922.db2.gz TXBLNFMFPYMQLL-ONGXEEELSA-N 2 0 265.361 -0.064 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC001333336921 887602595 /nfs/dbraw/zinc/60/25/95/887602595.db2.gz RKMJTQRXYXDWAK-QWHCGFSZSA-N 2 0 284.404 -0.754 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001333339557 887603161 /nfs/dbraw/zinc/60/31/61/887603161.db2.gz ZLPOTNJFLHLVJZ-IUCAKERBSA-N 2 0 255.297 -0.691 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)nn1 ZINC001333355068 887607541 /nfs/dbraw/zinc/60/75/41/887607541.db2.gz YMOPWTVEKCDZLU-AAEUAGOBSA-N 2 0 292.387 -0.017 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333407203 887623912 /nfs/dbraw/zinc/62/39/12/887623912.db2.gz UKXZGWFKDBUEQN-SDDRHHMPSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001333447622 887642997 /nfs/dbraw/zinc/64/29/97/887642997.db2.gz GVYIQTOPGBDEHF-AVGNSLFASA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001333447625 887643010 /nfs/dbraw/zinc/64/30/10/887643010.db2.gz GVYIQTOPGBDEHF-JHJVBQTASA-N 2 0 296.415 -0.171 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001333602955 887713904 /nfs/dbraw/zinc/71/39/04/887713904.db2.gz VENWFKKEKRNSRU-OQEOFVATSA-N 2 0 250.346 -0.212 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001333602956 887714344 /nfs/dbraw/zinc/71/43/44/887714344.db2.gz VENWFKKEKRNSRU-UGCHFJIKSA-N 2 0 250.346 -0.212 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C[C@H]1C[NH3+] ZINC001333611062 887715311 /nfs/dbraw/zinc/71/53/11/887715311.db2.gz LQDNHJXHZKYUBJ-JHJVBQTASA-N 2 0 296.415 -0.550 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C[C@H]1C[NH3+] ZINC001333611061 887717298 /nfs/dbraw/zinc/71/72/98/887717298.db2.gz LQDNHJXHZKYUBJ-FRRDWIJNSA-N 2 0 296.415 -0.550 20 0 CBADRP CC[N@@H+]1CCC[C@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC001333636400 887728539 /nfs/dbraw/zinc/72/85/39/887728539.db2.gz QXVUAYVJUSGPDM-GHMZBOCLSA-N 2 0 268.361 -0.062 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N2CC3CC2(C[NH3+])C3)nn1 ZINC001333636603 887729500 /nfs/dbraw/zinc/72/95/00/887729500.db2.gz UUAWVOKXELEFPQ-UHFFFAOYSA-N 2 0 264.333 -0.810 20 0 CBADRP CN(Cc1nc2c(s1)C[NH2+]CC2)C[C@@H](O)C[NH3+] ZINC001333671566 887740659 /nfs/dbraw/zinc/74/06/59/887740659.db2.gz KDGZRGIGTBNBPF-QMMMGPOBSA-N 2 0 256.375 -0.460 20 0 CBADRP CN(C(=O)C[C@H]1COCC[NH2+]1)c1cc(C[NH3+])ccn1 ZINC001334115309 887869632 /nfs/dbraw/zinc/86/96/32/887869632.db2.gz RCKZIFRIOOFWKR-NSHDSACASA-N 2 0 264.329 -0.118 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C=CCC1 ZINC001334256042 887907844 /nfs/dbraw/zinc/90/78/44/887907844.db2.gz YTTZUQPSWMPXPJ-ZDUSSCGKSA-N 2 0 296.415 -0.227 20 0 CBADRP O=C1N[C@@H]2C[N@H+](CCO)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC001334337833 887925559 /nfs/dbraw/zinc/92/55/59/887925559.db2.gz MQZFPWUSUZAVPU-NEPJUHHUSA-N 2 0 268.361 -0.801 20 0 CBADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](O)CS(C)(=O)=O ZINC001334389481 887948172 /nfs/dbraw/zinc/94/81/72/887948172.db2.gz HTXPZPURIIRJDK-ZJUUUORDSA-N 2 0 252.380 -0.501 20 0 CBADRP CN(C[C@@H](O)Cn1cccn1)C1(C[NH3+])CCOCC1 ZINC001334738575 888305694 /nfs/dbraw/zinc/30/56/94/888305694.db2.gz QRKLODNMQOIAOZ-GFCCVEGCSA-N 2 0 268.361 -0.316 20 0 CBADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(CC(=O)N1CC[NH2+]CC1)C2 ZINC001334762023 888312311 /nfs/dbraw/zinc/31/23/11/888312311.db2.gz CWYVZBIUHFCRHQ-SRVKXCTJSA-N 2 0 252.362 -0.770 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001334826646 888339775 /nfs/dbraw/zinc/33/97/75/888339775.db2.gz GQRYNHOLLQVUTD-NXEZZACHSA-N 2 0 266.349 -0.901 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)C[C@]2(C)C1 ZINC001335256870 888473433 /nfs/dbraw/zinc/47/34/33/888473433.db2.gz RVFYVEDWFPYHLW-BLTAXRJOSA-N 2 0 294.399 -0.750 20 0 CBADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001335264930 888477252 /nfs/dbraw/zinc/47/72/52/888477252.db2.gz OUXHNVPXBYOTOV-VXGBXAGGSA-N 2 0 282.388 -0.748 20 0 CBADRP COC(=O)CCNC(=O)CC[NH2+][C@H](C)C1C[NH2+]C1 ZINC001335379819 888519149 /nfs/dbraw/zinc/51/91/49/888519149.db2.gz CTFNKVKFYQDIRD-SECBINFHSA-N 2 0 257.334 -0.747 20 0 CBADRP O[C@H](C[NH2+]CC[C@]1(O)CCCOC1)C[NH+]1CCCC1 ZINC001335431042 888532436 /nfs/dbraw/zinc/53/24/36/888532436.db2.gz MSZMUEJTYICRNS-ZIAGYGMSSA-N 2 0 272.389 -0.036 20 0 CBADRP O[C@H](C[NH2+]CC[C@@]1(O)CCCOC1)C[NH+]1CCCC1 ZINC001335431040 888533005 /nfs/dbraw/zinc/53/30/05/888533005.db2.gz MSZMUEJTYICRNS-KGLIPLIRSA-N 2 0 272.389 -0.036 20 0 CBADRP CC(C)OCC[C@@H](O)C[NH2+]C[C@@]1(O)CCN(C)C1 ZINC001335458565 888538303 /nfs/dbraw/zinc/53/83/03/888538303.db2.gz RHJGKLNKMBINFX-OLZOCXBDSA-N 2 0 260.378 -0.181 20 0 CBADRP CC(C)OCC[C@H](O)C[NH2+]C[C@]1(O)CCN(C)C1 ZINC001335458597 888538999 /nfs/dbraw/zinc/53/89/99/888538999.db2.gz RHJGKLNKMBINFX-QWHCGFSZSA-N 2 0 260.378 -0.181 20 0 CBADRP C[NH2+]CCCNC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001335536864 888560024 /nfs/dbraw/zinc/56/00/24/888560024.db2.gz IWSTTWJWQWFNDO-NSHDSACASA-N 2 0 298.387 -0.420 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)NCC1([NH3+])CCC1 ZINC001335551153 888562526 /nfs/dbraw/zinc/56/25/26/888562526.db2.gz JAJBRYFCQICBQJ-SNVBAGLBSA-N 2 0 256.350 -0.502 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)NCC(C)(C)[NH3+] ZINC001335550767 888562866 /nfs/dbraw/zinc/56/28/66/888562866.db2.gz DAQZGUGIWOOFCJ-SNVBAGLBSA-N 2 0 258.366 -0.256 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCNCC[NH2+]CC1 ZINC001335551423 888563228 /nfs/dbraw/zinc/56/32/28/888563228.db2.gz LPGNJMJXFFJTHK-GFCCVEGCSA-N 2 0 271.409 -0.436 20 0 CBADRP C[NH2+]CCCNC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001335585411 888573826 /nfs/dbraw/zinc/57/38/26/888573826.db2.gz XMOYEUDHNSGWDU-UHFFFAOYSA-N 2 0 285.436 -0.029 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)NCC[C@H](C)[NH3+] ZINC001335609629 888581807 /nfs/dbraw/zinc/58/18/07/888581807.db2.gz KBQRAGJZGNUIDM-QWRGUYRKSA-N 2 0 258.366 -0.256 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC001335738637 888616121 /nfs/dbraw/zinc/61/61/21/888616121.db2.gz DGFREYQRFIPNEV-GRYCIOLGSA-N 2 0 280.372 -0.794 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001335751158 888620993 /nfs/dbraw/zinc/62/09/93/888620993.db2.gz JNZGIEIGUKAHSQ-CYDGBPFRSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC001335752322 888621904 /nfs/dbraw/zinc/62/19/04/888621904.db2.gz WXRXEISEFRYXEZ-DDHJBXDOSA-N 2 0 282.388 -0.561 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NCc1ccccc1C[NH3+] ZINC001335843099 888641498 /nfs/dbraw/zinc/64/14/98/888641498.db2.gz NIYNTUVIWQBCHY-CYBMUJFWSA-N 2 0 262.357 -0.335 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001335841234 888643206 /nfs/dbraw/zinc/64/32/06/888643206.db2.gz BHZAJGIZHUDJKL-PJSNJIKXSA-N 2 0 265.357 -0.426 20 0 CBADRP C[C@H](C[NH2+]C[C@H](O)C[C@]1(O)CCOC1)C[NH+](C)C ZINC001335956026 888660219 /nfs/dbraw/zinc/66/02/19/888660219.db2.gz XZKWYEQKWBQAKK-JHJVBQTASA-N 2 0 260.378 -0.324 20 0 CBADRP O=C1NC(=O)C2(CCN(C[C@@H](O)C[NH+]3CCCC3)CC2)N1 ZINC001336050527 888685156 /nfs/dbraw/zinc/68/51/56/888685156.db2.gz CKAPGSRMVJEMPO-NSHDSACASA-N 2 0 296.371 -0.883 20 0 CBADRP C([C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH2+]CC[NH2+]CC1 ZINC001336094535 888692949 /nfs/dbraw/zinc/69/29/49/888692949.db2.gz KRXWLLLDQSEQSB-CQSZACIVSA-N 3 0 282.432 -0.360 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001336149964 888706166 /nfs/dbraw/zinc/70/61/66/888706166.db2.gz IHFQKSUTCNATDW-TUAOUCFPSA-N 2 0 268.361 -0.774 20 0 CBADRP O=C(NCCCCCN1CC[NH2+]CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001336192433 888716009 /nfs/dbraw/zinc/71/60/09/888716009.db2.gz HLFBTKQVKXDUTN-KBPBESRZSA-N 2 0 295.431 -0.182 20 0 CBADRP CN1CCO[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2C)C1 ZINC001336224433 888721741 /nfs/dbraw/zinc/72/17/41/888721741.db2.gz PFIXNYRTZHCPKT-RYUDHWBXSA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001336590277 888807104 /nfs/dbraw/zinc/80/71/04/888807104.db2.gz XFTAFGBUZZOBCY-RVMXOQNASA-N 2 0 296.415 -0.362 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001336650422 888833449 /nfs/dbraw/zinc/83/34/49/888833449.db2.gz UAZLVFVIWNXHHA-RVMXOQNASA-N 2 0 296.415 -0.362 20 0 CBADRP C[NH2+]C1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001336661435 888837605 /nfs/dbraw/zinc/83/76/05/888837605.db2.gz UVIPPGRMMBBQCU-ZDUSSCGKSA-N 2 0 255.362 -0.299 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)c1c(C[NH3+])cnn1C ZINC001336709332 888852179 /nfs/dbraw/zinc/85/21/79/888852179.db2.gz VMDBQIAPUSGKID-UHFFFAOYSA-N 2 0 253.350 -0.003 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001336741912 888863088 /nfs/dbraw/zinc/86/30/88/888863088.db2.gz JQXRHKANJZKHSU-SRVKXCTJSA-N 2 0 254.378 -0.382 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2CC[NH2+]2)C[C@H]1C(F)(F)F ZINC001336741694 888863869 /nfs/dbraw/zinc/86/38/69/888863869.db2.gz ISXFKSFOULNWKI-XLPZGREQSA-N 2 0 251.252 -0.056 20 0 CBADRP COCCOC[C@H](O)C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC001336749605 888867124 /nfs/dbraw/zinc/86/71/24/888867124.db2.gz DQOLTASPDBMPPD-UONOGXRCSA-N 2 0 289.420 -0.764 20 0 CBADRP COCCOC[C@@H](O)C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC001336749604 888867864 /nfs/dbraw/zinc/86/78/64/888867864.db2.gz DQOLTASPDBMPPD-KGLIPLIRSA-N 2 0 289.420 -0.764 20 0 CBADRP COCCOC[C@H](O)C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC001336749606 888868297 /nfs/dbraw/zinc/86/82/97/888868297.db2.gz DQOLTASPDBMPPD-ZIAGYGMSSA-N 2 0 289.420 -0.764 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CN3CCC2CC3)CC1 ZINC001336762804 888871116 /nfs/dbraw/zinc/87/11/16/888871116.db2.gz JDGQWOJXQJUXHK-LSDHHAIUSA-N 2 0 282.432 -0.722 20 0 CBADRP C[C@H](CNC(=O)N1CCNCC[NH2+]CC1)C[NH+]1CCCC1 ZINC001336763363 888871739 /nfs/dbraw/zinc/87/17/39/888871739.db2.gz PXALWRADORAXAS-CQSZACIVSA-N 2 0 297.447 -0.077 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001336798093 888883299 /nfs/dbraw/zinc/88/32/99/888883299.db2.gz VJPVFFBRSRRQHD-GHMZBOCLSA-N 2 0 258.366 -0.528 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCNCC[NH2+]CC1 ZINC001336795820 888884442 /nfs/dbraw/zinc/88/44/42/888884442.db2.gz FHWBXVSNCGZRDD-ZDUSSCGKSA-N 2 0 285.436 -0.079 20 0 CBADRP C[C@H](NC(=O)N1CCNCC[NH2+]CC1)C1=CC[N@H+](C)CC1 ZINC001336870436 888903862 /nfs/dbraw/zinc/90/38/62/888903862.db2.gz BSIWFVCRVCMLIU-ZDUSSCGKSA-N 2 0 295.431 -0.159 20 0 CBADRP COCC[NH2+]CCNC(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC001336893993 888909877 /nfs/dbraw/zinc/90/98/77/888909877.db2.gz OOJLNEZZJNFWHG-VXGBXAGGSA-N 2 0 272.393 -0.233 20 0 CBADRP [NH3+]C[C@@H](O)CCc1cn(CC2CC[NH2+]CC2)nn1 ZINC001336896848 888913216 /nfs/dbraw/zinc/91/32/16/888913216.db2.gz PUDYGRSLTUUQDS-LBPRGKRZSA-N 2 0 253.350 -0.470 20 0 CBADRP CCO[C@@H](CNC(=O)NC[C@H](C)C[NH3+])C[NH+](C)C ZINC001336906466 888915394 /nfs/dbraw/zinc/91/53/94/888915394.db2.gz OJJBDTRDYJAVOF-MNOVXSKESA-N 2 0 260.382 -0.153 20 0 CBADRP CCO[C@H](CNC(=O)N[C@H](C)C[NH2+]C)C[NH+](C)C ZINC001336907683 888917168 /nfs/dbraw/zinc/91/71/68/888917168.db2.gz LZQLGMROIGTIAI-GHMZBOCLSA-N 2 0 260.382 -0.140 20 0 CBADRP CCC[NH2+]CCNC(=O)N1CC[NH2+]C[C@H]1COC ZINC001336917786 888919379 /nfs/dbraw/zinc/91/93/79/888919379.db2.gz FPROKDOHWUBAQC-NSHDSACASA-N 2 0 258.366 -0.384 20 0 CBADRP CC1(C)CC[C@@H](CNC(=O)N2CCNCC[NH2+]CC2)[NH2+]C1 ZINC001336923260 888922906 /nfs/dbraw/zinc/92/29/06/888922906.db2.gz RPRJQQRXDWYTGM-ZDUSSCGKSA-N 2 0 297.447 -0.031 20 0 CBADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)N[C@@H]1[C@H]3C[NH2+]C[C@H]31)C2 ZINC001336923052 888923593 /nfs/dbraw/zinc/92/35/93/888923593.db2.gz NRFXTBLYNCVGLU-DCHHYWPUSA-N 2 0 250.346 -0.275 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC001336939851 888928827 /nfs/dbraw/zinc/92/88/27/888928827.db2.gz APIXQKVDMYVLAC-UHFFFAOYSA-N 2 0 295.431 -0.029 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)NCCN1CCC([NH3+])CC1 ZINC001336962778 888933991 /nfs/dbraw/zinc/93/39/91/888933991.db2.gz CRYKOYXPCIGMIO-SNVBAGLBSA-N 2 0 257.382 -0.602 20 0 CBADRP [NH3+]C1(CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC001336973449 888936727 /nfs/dbraw/zinc/93/67/27/888936727.db2.gz JXEUSGWMMJGPJH-LLVKDONJSA-N 2 0 267.377 -0.833 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001336964173 888937082 /nfs/dbraw/zinc/93/70/82/888937082.db2.gz GEKRUQIICLNULS-QJPTWQEYSA-N 2 0 284.404 -0.219 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC001336993660 888946790 /nfs/dbraw/zinc/94/67/90/888946790.db2.gz MJCLYZAKRQHEHS-DCAQKATOSA-N 2 0 256.350 -0.911 20 0 CBADRP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC001337006162 888947208 /nfs/dbraw/zinc/94/72/08/888947208.db2.gz DNRUJISHZNHNQH-ROHXPCBUSA-N 2 0 267.373 -0.005 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001337024326 888949040 /nfs/dbraw/zinc/94/90/40/888949040.db2.gz PKLJVTNSQYPLGV-IRCOFANPSA-N 2 0 268.361 -0.443 20 0 CBADRP CCN(C(=O)c1cn(CC[NH3+])nn1)[C@@H]1CC[NH2+]C1 ZINC001337094031 888962421 /nfs/dbraw/zinc/96/24/21/888962421.db2.gz DFUCDBXZIXDQIR-SECBINFHSA-N 2 0 252.322 -0.939 20 0 CBADRP CCN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC001337095839 888963298 /nfs/dbraw/zinc/96/32/98/888963298.db2.gz VELAGFDDYVCEAI-WDEREUQCSA-N 2 0 268.361 -0.935 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001337309005 888990409 /nfs/dbraw/zinc/99/04/09/888990409.db2.gz HAWQKFRDGVHRBL-NXEZZACHSA-N 2 0 268.361 -0.855 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC001337311161 888990835 /nfs/dbraw/zinc/99/08/35/888990835.db2.gz QXTYLMMJPKMAST-UHFFFAOYSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@@H+]1C ZINC001337359404 888996615 /nfs/dbraw/zinc/99/66/15/888996615.db2.gz VJWBEZWKJGIDTD-DDHJBXDOSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001337419677 889004239 /nfs/dbraw/zinc/00/42/39/889004239.db2.gz CVCVBSUXSNXXTB-OUAUKWLOSA-N 2 0 280.372 -0.713 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC001337441597 889011025 /nfs/dbraw/zinc/01/10/25/889011025.db2.gz UDIMYTVRVJJSDJ-WISYIIOYSA-N 2 0 294.399 -0.419 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001337472599 889018111 /nfs/dbraw/zinc/01/81/11/889018111.db2.gz YPANJVCNZWZBCE-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP [NH3+]C1(CNCc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC001337838262 889086388 /nfs/dbraw/zinc/08/63/88/889086388.db2.gz MZEWHJSDWYHBJU-JTQLQIEISA-N 2 0 250.350 -0.217 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NCCC(C)(C)[NH3+] ZINC001337992642 889105649 /nfs/dbraw/zinc/10/56/49/889105649.db2.gz IKXQYBPYJTXBNZ-UHFFFAOYSA-N 2 0 260.382 -0.009 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001448522376 913311539 /nfs/dbraw/zinc/31/15/39/913311539.db2.gz VOMACEZNWHMYDH-FDYHWXHSSA-N 2 0 296.415 -0.443 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC001338353630 889145822 /nfs/dbraw/zinc/14/58/22/889145822.db2.gz QKGWNABKZIDTDE-MNOVXSKESA-N 2 0 282.388 -0.608 20 0 CBADRP O=C(NC1CC[NH2+]CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001338623713 889181147 /nfs/dbraw/zinc/18/11/47/889181147.db2.gz DXXCTVKMBMFDEW-WDEREUQCSA-N 2 0 252.362 -0.011 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)NC1CC[NH2+]CC1 ZINC001338624895 889181662 /nfs/dbraw/zinc/18/16/62/889181662.db2.gz NGAHBKDRPUDBIY-NSHDSACASA-N 2 0 256.350 -0.632 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC001338641820 889183587 /nfs/dbraw/zinc/18/35/87/889183587.db2.gz UDQDZPPKDGHACZ-VWYCJHECSA-N 2 0 258.366 -0.258 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC001338639840 889184732 /nfs/dbraw/zinc/18/47/32/889184732.db2.gz AUYLHSIVYHWOCR-GARJFASQSA-N 2 0 258.366 -0.258 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)NCCOCCC[NH3+])C[C@]2(C)C1 ZINC001338659252 889188601 /nfs/dbraw/zinc/18/86/01/889188601.db2.gz DZVLFRUIIZHPDU-OCCSQVGLSA-N 2 0 284.404 -0.055 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC001338687387 889192404 /nfs/dbraw/zinc/19/24/04/889192404.db2.gz MNCRHKWGFZETET-LLVKDONJSA-N 2 0 255.366 -0.848 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC001339726610 889313219 /nfs/dbraw/zinc/31/32/19/889313219.db2.gz WSRFRIYKRLONQM-DGCLKSJQSA-N 2 0 287.404 -0.441 20 0 CBADRP [NH3+]CC(C[NH3+])NCc1cc(=O)n2ccsc2n1 ZINC001339912086 889344135 /nfs/dbraw/zinc/34/41/35/889344135.db2.gz DDQLFHJYPSWPGF-UHFFFAOYSA-N 2 0 253.331 -0.868 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC001339915152 889344368 /nfs/dbraw/zinc/34/43/68/889344368.db2.gz RJDWGTZTMZWYHD-NDKCEZKHSA-N 3 0 269.389 -0.335 20 0 CBADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cnnn1C ZINC001339999094 889361812 /nfs/dbraw/zinc/36/18/12/889361812.db2.gz SBWWJEVDQDGPBI-SNVBAGLBSA-N 2 0 253.350 -0.078 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@@H](C)[C@@H](O)C[NH2+]C)CC1 ZINC001340017221 889364803 /nfs/dbraw/zinc/36/48/03/889364803.db2.gz BUMHBKHFEZDDKW-JQWIXIFHSA-N 2 0 257.378 -0.197 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001340042343 889369017 /nfs/dbraw/zinc/36/90/17/889369017.db2.gz VXTBCAVBWPBVPW-YPMHNXCESA-N 2 0 287.404 -0.834 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCCC[NH+]1CCOCC1 ZINC001340042008 889370238 /nfs/dbraw/zinc/37/02/38/889370238.db2.gz RRMIMUYBUUBFHW-STQMWFEESA-N 2 0 287.404 -0.569 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001340091651 889382726 /nfs/dbraw/zinc/38/27/26/889382726.db2.gz WUTAXXPTXRBFBP-RHYQMDGZSA-N 2 0 257.378 -0.198 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001340112093 889385754 /nfs/dbraw/zinc/38/57/54/889385754.db2.gz MCKDNOJWYSBPRZ-HNNXBMFYSA-N 2 0 298.431 -0.755 20 0 CBADRP O=C(C[NH+]1CCC(CO)CC1)NCC1=CC[NH2+]CC1 ZINC001340131487 889391377 /nfs/dbraw/zinc/39/13/77/889391377.db2.gz CYCKBROFNXRBJP-UHFFFAOYSA-N 2 0 267.373 -0.273 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC(C)([NH3+])CC1 ZINC001340147752 889395503 /nfs/dbraw/zinc/39/55/03/889395503.db2.gz OMHLBUPDNBMECE-NWDGAFQWSA-N 2 0 266.389 -0.286 20 0 CBADRP CC[NH+](CC)CC1CCN(C(=O)[C@H]([NH3+])CO)CC1 ZINC001340169746 889401033 /nfs/dbraw/zinc/40/10/33/889401033.db2.gz VKJHMOXTNMJUKM-GFCCVEGCSA-N 2 0 257.378 -0.114 20 0 CBADRP CCCN(CC[NH+](C)C)C(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001340646770 889460300 /nfs/dbraw/zinc/46/03/00/889460300.db2.gz ABVJRMUBUPZTPE-YPMHNXCESA-N 2 0 257.378 -0.101 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001340184869 889405860 /nfs/dbraw/zinc/40/58/60/889405860.db2.gz QBQICPXQSCBENE-USZNOCQGSA-N 2 0 253.346 -0.663 20 0 CBADRP CN(C(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1)C1CC[NH+](C)CC1 ZINC001340265816 889416492 /nfs/dbraw/zinc/41/64/92/889416492.db2.gz JIIDNJAKLPTHHR-DGCLKSJQSA-N 2 0 255.362 -0.348 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCC23CCC3)CCO1 ZINC001340268105 889416644 /nfs/dbraw/zinc/41/66/44/889416644.db2.gz XPRUPOTUOUGBLT-RYUDHWBXSA-N 2 0 267.373 -0.048 20 0 CBADRP CC(C)[C@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC[NH2+]1 ZINC001340280281 889417800 /nfs/dbraw/zinc/41/78/00/889417800.db2.gz FSFVMPJCCZPHCO-DMDPSCGWSA-N 2 0 255.362 -0.444 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC001340301326 889420286 /nfs/dbraw/zinc/42/02/86/889420286.db2.gz WDBYLBUURYDDIX-AGIUHOORSA-N 2 0 294.399 -0.606 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@H]1CC12CC[NH2+]CC2 ZINC001340300004 889420368 /nfs/dbraw/zinc/42/03/68/889420368.db2.gz RCDCLNJHQAKVNL-FZMZJTMJSA-N 2 0 267.373 -0.251 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001340349924 889425613 /nfs/dbraw/zinc/42/56/13/889425613.db2.gz PHXFNKYSYVVKOY-LPWJVIDDSA-N 2 0 266.389 -0.369 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001340364529 889428862 /nfs/dbraw/zinc/42/88/62/889428862.db2.gz JOQGLXZLUAGVAO-GMTAPVOTSA-N 2 0 267.373 -0.003 20 0 CBADRP CN(C(=O)C[NH+]1CCC(CO)CC1)[C@H]1CC[NH2+]C1 ZINC001340478376 889439521 /nfs/dbraw/zinc/43/95/21/889439521.db2.gz UDNVVHPKPDYBHD-LBPRGKRZSA-N 2 0 255.362 -0.489 20 0 CBADRP [NH3+]CCCSCCC(=O)N1CCC(O)(C[NH3+])CC1 ZINC001340489192 889439853 /nfs/dbraw/zinc/43/98/53/889439853.db2.gz VDHCWALHZLAFEV-UHFFFAOYSA-N 2 0 275.418 -0.229 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001340527631 889441702 /nfs/dbraw/zinc/44/17/02/889441702.db2.gz QVCNLSHYLFNRFA-NNYUYHANSA-N 2 0 254.378 -0.383 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001340527038 889443146 /nfs/dbraw/zinc/44/31/46/889443146.db2.gz OTKTYTUQDAJNQH-HBNTYKKESA-N 2 0 255.362 -0.003 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1C[NH2+]CCN1C ZINC001340538731 889446622 /nfs/dbraw/zinc/44/66/22/889446622.db2.gz JUAOWSJKABCAHH-CYBMUJFWSA-N 2 0 270.421 -0.016 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001340597588 889450770 /nfs/dbraw/zinc/45/07/70/889450770.db2.gz YVWHBZJNGPFKNW-WOPDTQHZSA-N 2 0 255.362 -0.171 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)CC(C)(C)[NH3+] ZINC001340596153 889451683 /nfs/dbraw/zinc/45/16/83/889451683.db2.gz POYQTZPOSGDJAH-GHMZBOCLSA-N 2 0 254.378 -0.430 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001340693457 889468412 /nfs/dbraw/zinc/46/84/12/889468412.db2.gz ZRPAJXFPQKYGII-NQBHXWOUSA-N 2 0 255.362 -0.171 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC001340736408 889475851 /nfs/dbraw/zinc/47/58/51/889475851.db2.gz RWIPHNDRQHXIEL-QWHCGFSZSA-N 2 0 265.357 -0.405 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001340735326 889477382 /nfs/dbraw/zinc/47/73/82/889477382.db2.gz MHFJFUBYKIGKIH-MNOVXSKESA-N 2 0 269.345 -0.998 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C[C@@H](O)C[NH2+]1 ZINC001340823736 889492829 /nfs/dbraw/zinc/49/28/29/889492829.db2.gz HAPCOVMVKRJLML-CKYFFXLPSA-N 2 0 253.346 -0.500 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])CO)CC[C@H]1C(F)(F)F ZINC001340827486 889493332 /nfs/dbraw/zinc/49/33/32/889493332.db2.gz SSJJHJCIQOFJTK-XLPZGREQSA-N 2 0 269.267 -0.708 20 0 CBADRP C[NH2+]C1CC(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001340845047 889496222 /nfs/dbraw/zinc/49/62/22/889496222.db2.gz PZDBXOOAMUDMEM-PNESKVBLSA-N 2 0 296.415 -0.312 20 0 CBADRP O=C([C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001340846317 889498223 /nfs/dbraw/zinc/49/82/23/889498223.db2.gz CRDXYBZZYQYOOS-UMSGYPCISA-N 2 0 267.373 -0.300 20 0 CBADRP C[NH2+]CCOc1ccccc1C(=O)N(C)C[C@@H](O)C[NH2+]C ZINC001340861691 889500404 /nfs/dbraw/zinc/50/04/04/889500404.db2.gz DUNDEJZMXULXGP-LBPRGKRZSA-N 2 0 295.383 -0.063 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC001340863371 889500989 /nfs/dbraw/zinc/50/09/89/889500989.db2.gz RIKMJUGMHHOEAP-DUVUQDDDSA-N 2 0 255.362 -0.419 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)C1([NH3+])CC2(CCC2)C1 ZINC001340860998 889501685 /nfs/dbraw/zinc/50/16/85/889501685.db2.gz APYPZLDLZZFHHM-JTQLQIEISA-N 2 0 255.362 -0.313 20 0 CBADRP [NH3+][C@H](CO)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001340879384 889502828 /nfs/dbraw/zinc/50/28/28/889502828.db2.gz DYHWYVXKANLTLL-VXGBXAGGSA-N 2 0 255.362 -0.360 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001340881082 889504863 /nfs/dbraw/zinc/50/48/63/889504863.db2.gz QETMTUVESLVSSE-NWDGAFQWSA-N 2 0 255.362 -0.360 20 0 CBADRP CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001340893935 889505691 /nfs/dbraw/zinc/50/56/91/889505691.db2.gz LWEOJSGRPJHTGE-RYUDHWBXSA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2NC(=O)C[C@@]23CC[NH2+]C3)CC[N@@H+]1C ZINC001340900268 889510192 /nfs/dbraw/zinc/51/01/92/889510192.db2.gz JTPKJOYCYXTAOP-GIPNMCIBSA-N 2 0 266.345 -0.678 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001340915740 889513793 /nfs/dbraw/zinc/51/37/93/889513793.db2.gz JFZHCURLSBKTLX-WISYIIOYSA-N 2 0 255.362 -0.444 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@H]1CCC[NH2+]CC1 ZINC001340917137 889514161 /nfs/dbraw/zinc/51/41/61/889514161.db2.gz XMKIFWGWQLQOGN-AAEUAGOBSA-N 2 0 255.362 -0.251 20 0 CBADRP CC(C)(C[NH3+])CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001340932273 889516071 /nfs/dbraw/zinc/51/60/71/889516071.db2.gz VHKSNLAROXSFGI-LBPRGKRZSA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC001340945388 889520258 /nfs/dbraw/zinc/52/02/58/889520258.db2.gz RHBOTXZTIAWMOF-VGMNWLOBSA-N 2 0 265.304 -0.684 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CNCC[NH3+])C1 ZINC001340987620 889526786 /nfs/dbraw/zinc/52/67/86/889526786.db2.gz XISCRMDEFUGZFX-NEPJUHHUSA-N 2 0 254.378 -0.523 20 0 CBADRP C[NH2+][C@@H](CNC(=O)C[C@@H](O)C[NH3+])Cc1ccccc1 ZINC001341026974 889532811 /nfs/dbraw/zinc/53/28/11/889532811.db2.gz DJLJPXPRAMMDNL-CHWSQXEVSA-N 2 0 265.357 -0.357 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCN2C)C[C@H]1CC[NH3+] ZINC001341024242 889534294 /nfs/dbraw/zinc/53/42/94/889534294.db2.gz FGFUFBMRQVXFKN-IJLUTSLNSA-N 2 0 254.378 -0.667 20 0 CBADRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)C[C@@H]1COCC[NH2+]1 ZINC001341029363 889536254 /nfs/dbraw/zinc/53/62/54/889536254.db2.gz PYDLGBJIQSVZCT-FIQHERPVSA-N 2 0 255.362 -0.038 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001341098975 889541815 /nfs/dbraw/zinc/54/18/15/889541815.db2.gz CEFQKEYSXDDDIF-CYBMUJFWSA-N 2 0 268.405 -0.118 20 0 CBADRP CC1(C)CCC[NH2+][C@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001341099869 889542718 /nfs/dbraw/zinc/54/27/18/889542718.db2.gz NDAKXXFIPUMUMX-LBPRGKRZSA-N 2 0 268.405 -0.214 20 0 CBADRP CC[C@@]1(C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC[NH2+]C1 ZINC001341115809 889544544 /nfs/dbraw/zinc/54/45/44/889544544.db2.gz JNZJTLFAPXAEMY-OLZOCXBDSA-N 2 0 255.362 -0.312 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC001341116248 889545073 /nfs/dbraw/zinc/54/50/73/889545073.db2.gz MUJWFKIXFNBQGS-RYUDHWBXSA-N 2 0 267.373 -0.048 20 0 CBADRP CCO[C@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)C[NH+](C)C ZINC001341171569 889554234 /nfs/dbraw/zinc/55/42/34/889554234.db2.gz DAEPXZZZIUWPTR-ZYHUDNBSSA-N 2 0 261.341 -0.229 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001341178935 889554740 /nfs/dbraw/zinc/55/47/40/889554740.db2.gz YALQWIFSPMQYMF-GFQSEFKGSA-N 2 0 267.373 -0.001 20 0 CBADRP O=C(N1CCNCC[NH2+]CC1)[C@]12C[C@H]1CCC[NH2+]2 ZINC001341223257 889559886 /nfs/dbraw/zinc/55/98/86/889559886.db2.gz OJADJZGMAWQHQU-YPMHNXCESA-N 2 0 252.362 -0.850 20 0 CBADRP C[NH+]1CCC(C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC001341240761 889561651 /nfs/dbraw/zinc/56/16/51/889561651.db2.gz WFJZIGHFDDWNQJ-CYBMUJFWSA-N 2 0 255.362 -0.360 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCNCC[NH2+]CC2)C1 ZINC001341225123 889563341 /nfs/dbraw/zinc/56/33/41/889563341.db2.gz ZIGHMTOWTKVXQB-DMDPSCGWSA-N 2 0 252.362 -0.865 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC001341244617 889566813 /nfs/dbraw/zinc/56/68/13/889566813.db2.gz QICFLDFZVCMSNN-YFKTTZPYSA-N 2 0 257.378 -0.293 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001341319672 889573797 /nfs/dbraw/zinc/57/37/97/889573797.db2.gz VIPSYDNWABMGEG-MBNYWOFBSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH2+]CCOc1ccccc1C(=O)NCC1(O)C[NH2+]C1 ZINC001341337669 889576941 /nfs/dbraw/zinc/57/69/41/889576941.db2.gz UZGWCMRETMDBCX-UHFFFAOYSA-N 2 0 279.340 -0.651 20 0 CBADRP [NH3+][C@H](CC(=O)NCC1(O)C[NH2+]C1)Cc1ccccc1 ZINC001341336731 889577303 /nfs/dbraw/zinc/57/73/03/889577303.db2.gz JRVNERGPUXFIRZ-LBPRGKRZSA-N 2 0 263.341 -0.603 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC001341354073 889578981 /nfs/dbraw/zinc/57/89/81/889578981.db2.gz PJSTZHWDQAPJPG-FRRDWIJNSA-N 2 0 266.389 -0.428 20 0 CBADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001341365689 889582396 /nfs/dbraw/zinc/58/23/96/889582396.db2.gz CPWRSNJPPSNLAB-MNOVXSKESA-N 2 0 255.362 -0.003 20 0 CBADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001341365692 889583617 /nfs/dbraw/zinc/58/36/17/889583617.db2.gz CPWRSNJPPSNLAB-WDEREUQCSA-N 2 0 255.362 -0.003 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)CN2CC[NH2+]CC2)C1 ZINC001341418095 889592174 /nfs/dbraw/zinc/59/21/74/889592174.db2.gz FNWMOTPZHVYTNI-UHFFFAOYSA-N 2 0 268.405 -0.260 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001341465247 889600958 /nfs/dbraw/zinc/60/09/58/889600958.db2.gz KHRAIWCWQCCZJU-GRYCIOLGSA-N 2 0 266.389 -0.511 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001341465248 889601161 /nfs/dbraw/zinc/60/11/61/889601161.db2.gz KHRAIWCWQCCZJU-IJLUTSLNSA-N 2 0 266.389 -0.511 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001341476693 889603653 /nfs/dbraw/zinc/60/36/53/889603653.db2.gz FPWVBDCTFBBUSX-NWDGAFQWSA-N 2 0 255.362 -0.441 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])C1=O ZINC001341484313 889606978 /nfs/dbraw/zinc/60/69/78/889606978.db2.gz QZHWMFQYUWADSY-HUBLWGQQSA-N 2 0 294.399 -0.477 20 0 CBADRP O=C(c1ccc2c(n1)C[NH2+]CC2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001341501015 889608524 /nfs/dbraw/zinc/60/85/24/889608524.db2.gz GUQFARHLFAUGDQ-QWRGUYRKSA-N 2 0 258.325 -0.086 20 0 CBADRP C[C@]1(C(=O)N2C3CCC2(C[NH3+])CC3)C[C@@H](O)C[NH2+]1 ZINC001341506822 889609591 /nfs/dbraw/zinc/60/95/91/889609591.db2.gz CVLQFCFIWUWMEH-JKFXUVRWSA-N 2 0 253.346 -0.418 20 0 CBADRP C[C@]1(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C[C@H](O)C[NH2+]1 ZINC001341508813 889609647 /nfs/dbraw/zinc/60/96/47/889609647.db2.gz OUZVOCJFCOEEMV-MRBYEJRBSA-N 2 0 255.362 -0.267 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[C@H](O)C[NH2+]C ZINC001341514444 889611818 /nfs/dbraw/zinc/61/18/18/889611818.db2.gz GYICEEYUSRDESZ-IJLUTSLNSA-N 2 0 257.378 -0.197 20 0 CBADRP CN1CCN(C)CCN(C(=O)C23CCC(CC2)[NH2+]3)CC1 ZINC001341512226 889611945 /nfs/dbraw/zinc/61/19/45/889611945.db2.gz WALXBZUFYVRVGI-UHFFFAOYSA-N 2 0 280.416 -0.023 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC001341536575 889617854 /nfs/dbraw/zinc/61/78/54/889617854.db2.gz QDECJCCVJNADFF-WDEREUQCSA-N 2 0 255.362 -0.049 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001341547328 889620120 /nfs/dbraw/zinc/62/01/20/889620120.db2.gz MQAZHKAUTBEWLN-IJLUTSLNSA-N 2 0 252.362 -0.757 20 0 CBADRP CC1CC[NH+](CCNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001341556252 889622474 /nfs/dbraw/zinc/62/24/74/889622474.db2.gz XSTAVSFZEKRHSM-GXTWGEPZSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@H]([NH3+])CO)C[C@H](C)O1 ZINC001341569864 889622933 /nfs/dbraw/zinc/62/29/33/889622933.db2.gz ADGRYJBZJYBBBA-GRYCIOLGSA-N 2 0 273.377 -0.688 20 0 CBADRP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001341590797 889629407 /nfs/dbraw/zinc/62/94/07/889629407.db2.gz IVSMPCFSEBDOEN-MRVWCRGKSA-N 2 0 267.373 -0.169 20 0 CBADRP O=C(NCC1=CC[NH2+]CC1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001341650216 889639247 /nfs/dbraw/zinc/63/92/47/889639247.db2.gz YJVHOGUOQADNBN-AWEZNQCLSA-N 2 0 278.356 -0.079 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)C[C@H](O)C[NH3+])C[C@@H](C)O1 ZINC001341645444 889639940 /nfs/dbraw/zinc/63/99/40/889639940.db2.gz ZITCJBQVEQTKQV-UTUOFQBUSA-N 2 0 273.377 -0.688 20 0 CBADRP NCC(F)(F)CNC(=O)CN1CCC(CO)CC1 ZINC001341649462 889640259 /nfs/dbraw/zinc/64/02/59/889640259.db2.gz MADJOCFVHYRSRP-UHFFFAOYSA-N 2 0 265.304 -0.599 20 0 CBADRP CC(C)[C@H]1CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[NH2+]1 ZINC001341659622 889641757 /nfs/dbraw/zinc/64/17/57/889641757.db2.gz OMGQTHQBOYCXEV-QWHCGFSZSA-N 2 0 296.415 -0.360 20 0 CBADRP [NH3+][C@@H]1C[C@@H](NC(=O)C[C@]2(O)CCC[NH2+]C2)C12CCC2 ZINC001341656796 889643185 /nfs/dbraw/zinc/64/31/85/889643185.db2.gz YPCHJZFTIGKURB-NQBHXWOUSA-N 2 0 267.373 -0.123 20 0 CBADRP C[C@]1(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C[C@@H](O)C[NH2+]1 ZINC001341664711 889643242 /nfs/dbraw/zinc/64/32/42/889643242.db2.gz DLZZDNFSWIPBCF-MRVWCRGKSA-N 2 0 267.373 -0.299 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001341663205 889643577 /nfs/dbraw/zinc/64/35/77/889643577.db2.gz QDJJHQUUQPVYQI-GVXVVHGQSA-N 2 0 269.389 -0.197 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001341688774 889649817 /nfs/dbraw/zinc/64/98/17/889649817.db2.gz LCVMEWQUXRGUQA-QNWHQSFQSA-N 2 0 264.373 -0.805 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C[N@@H+]1C1CC1 ZINC001341731083 889655581 /nfs/dbraw/zinc/65/55/81/889655581.db2.gz BDIMJTUIASIKJW-IHOMSZDFSA-N 2 0 267.373 -0.159 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001341776872 889659983 /nfs/dbraw/zinc/65/99/83/889659983.db2.gz CCDLTHBBXLIHLO-UTINFBMNSA-N 2 0 259.300 -0.045 20 0 CBADRP CC[C@H]1CN(C(=O)C2(C[NH3+])CC(O)C2)CC[C@@H]1[NH3+] ZINC001341769090 889660648 /nfs/dbraw/zinc/66/06/48/889660648.db2.gz ZNNVTMVYDLIEQK-URAGZPLESA-N 2 0 255.362 -0.328 20 0 CBADRP O=C(C[NH+]1CCC(CO)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001341793858 889662730 /nfs/dbraw/zinc/66/27/30/889662730.db2.gz BSOFYTFDXVPNEH-OLZOCXBDSA-N 2 0 267.373 -0.489 20 0 CBADRP C[C@@]1(C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)C[C@H](O)C[NH2+]1 ZINC001341808407 889665344 /nfs/dbraw/zinc/66/53/44/889665344.db2.gz LFEKHDMFCWDDGR-UZGDPCLZSA-N 2 0 267.373 -0.252 20 0 CBADRP CC1(C)CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[NH2+]1 ZINC001341799098 889666614 /nfs/dbraw/zinc/66/66/14/889666614.db2.gz SHMGXRHXQXACSO-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP C[NH2+][C@@H](C)C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001341823540 889668832 /nfs/dbraw/zinc/66/88/32/889668832.db2.gz PPLAOVAXSFFYMT-LBPRGKRZSA-N 2 0 256.394 -0.214 20 0 CBADRP C[C@@H]1C[C@H](C(=O)N2CCNCC[NH2+]CC2)CC[NH2+]1 ZINC001341837351 889670504 /nfs/dbraw/zinc/67/05/04/889670504.db2.gz CUGZUDUJUHJAKU-VXGBXAGGSA-N 2 0 254.378 -0.604 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCNCC[NH2+]CC1)[NH+](C)C ZINC001341855218 889673771 /nfs/dbraw/zinc/67/37/71/889673771.db2.gz WRXPYPUZVVFIBT-LBPRGKRZSA-N 2 0 256.394 -0.406 20 0 CBADRP C[C@@H]1C[C@H](C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC[NH2+]1 ZINC001341857145 889676359 /nfs/dbraw/zinc/67/63/59/889676359.db2.gz GAOMXHLUBHNVOD-WZRBSPASSA-N 2 0 255.362 -0.313 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C23CCC(CC2)[NH2+]3)C1 ZINC001341856668 889676841 /nfs/dbraw/zinc/67/68/41/889676841.db2.gz DBGFMCZCJPWWFK-YDGIUTOCSA-N 2 0 253.346 -0.417 20 0 CBADRP C[C@@H]1CN(C(=O)C2(C[NH3+])CC(O)C2)CC[C@@H]1C[NH3+] ZINC001341870103 889677071 /nfs/dbraw/zinc/67/70/71/889677071.db2.gz BFDJIWWNMAFILU-IXYVEGFRSA-N 2 0 255.362 -0.471 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001341940428 889686521 /nfs/dbraw/zinc/68/65/21/889686521.db2.gz IPKJESGEDZVFGU-SRVKXCTJSA-N 2 0 256.394 -0.265 20 0 CBADRP Cc1c(C(=O)NOC[C@H](C)[NH3+])nnn1C1CC[NH2+]CC1 ZINC001341964843 889688820 /nfs/dbraw/zinc/68/88/20/889688820.db2.gz ATKKSUBMIALRIK-QMMMGPOBSA-N 2 0 282.348 -0.480 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)N2CCC3(CC2)C[NH2+]CCO3)C1 ZINC001341949904 889689343 /nfs/dbraw/zinc/68/93/43/889689343.db2.gz IKZKEVSWEAQUBT-XYPYZODXSA-N 2 0 253.346 -0.295 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001342021529 889697387 /nfs/dbraw/zinc/69/73/87/889697387.db2.gz LYPKEHUCYLSBCJ-IJLUTSLNSA-N 2 0 255.362 -0.361 20 0 CBADRP C[C@@H](NC(=O)C[NH2+]CC1CC1)[C@H]1C[N@H+](C)CCN1C ZINC001342036609 889702347 /nfs/dbraw/zinc/70/23/47/889702347.db2.gz QSKUNWDYAVLHDO-DGCLKSJQSA-N 2 0 268.405 -0.264 20 0 CBADRP CCCN(CC[NH+](C)C)C(=O)C1(C[NH3+])CC(O)C1 ZINC001342033350 889703650 /nfs/dbraw/zinc/70/36/50/889703650.db2.gz AXSBSCKTBFBHSY-UHFFFAOYSA-N 2 0 257.378 -0.114 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CCC[NH2+]C1 ZINC001342125552 889714454 /nfs/dbraw/zinc/71/44/54/889714454.db2.gz KZNYASCWGAKELG-JQWIXIFHSA-N 2 0 253.346 -0.377 20 0 CBADRP CC(C)[C@H](C(=O)N[C@@H]1COC2(C[NH2+]C2)C1)[C@@H](C)[NH3+] ZINC001342125531 889715286 /nfs/dbraw/zinc/71/52/86/889715286.db2.gz KLRLNZDOLLAMMR-VWYCJHECSA-N 2 0 255.362 -0.147 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])CO)C[C@H]1c1ccccc1 ZINC001342154311 889719507 /nfs/dbraw/zinc/71/95/07/889719507.db2.gz LWKLTGMZDQMJTB-FRRDWIJNSA-N 2 0 263.341 -0.493 20 0 CBADRP C[NH2+]CCOc1cccc(C(=O)NCC2(O)C[NH2+]C2)c1 ZINC001342191633 889729415 /nfs/dbraw/zinc/72/94/15/889729415.db2.gz UXVDMRAGWQLMON-UHFFFAOYSA-N 2 0 279.340 -0.651 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)N[C@@H]1C[NH2+]CC12CC2 ZINC001342200453 889730856 /nfs/dbraw/zinc/73/08/56/889730856.db2.gz IGSPAFRFEWBHSR-GHMZBOCLSA-N 2 0 253.346 -0.377 20 0 CBADRP CCN(CC[NH3+])C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001342207341 889732540 /nfs/dbraw/zinc/73/25/40/889732540.db2.gz VJQQXNJTFWRWEI-LBPRGKRZSA-N 2 0 254.334 -0.308 20 0 CBADRP C[NH2+]C1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCC1 ZINC001342206192 889732664 /nfs/dbraw/zinc/73/26/64/889732664.db2.gz QZGLZDVFOGXOCR-NSHDSACASA-N 2 0 282.388 -0.416 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001342222935 889733378 /nfs/dbraw/zinc/73/33/78/889733378.db2.gz ZUEUUSABBWOGKM-XQHKEYJVSA-N 2 0 266.389 -0.369 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2C[C@H](C[NH3+])C2)CCCC[NH2+]1 ZINC001342213193 889734065 /nfs/dbraw/zinc/73/40/65/889734065.db2.gz NNNBWFSMGCRTLN-GVXVVHGQSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H]1C[C@H](C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC001342215811 889734087 /nfs/dbraw/zinc/73/40/87/889734087.db2.gz PNMGXVNIYAYGSW-GMTAPVOTSA-N 2 0 253.346 -0.378 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]([NH3+])CCSC ZINC001342266327 889741257 /nfs/dbraw/zinc/74/12/57/889741257.db2.gz GJIRDNKFKGWWHY-VHSXEESVSA-N 2 0 263.407 -0.504 20 0 CBADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001342265175 889742210 /nfs/dbraw/zinc/74/22/10/889742210.db2.gz JEIOFYLIPMSLMJ-KKOKHZNYSA-N 2 0 255.362 -0.267 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CCC[C@]23CC[NH2+]C3)C1=O ZINC001342277741 889744838 /nfs/dbraw/zinc/74/48/38/889744838.db2.gz ZDIWBYCLKZCKKY-SWLSCSKDSA-N 2 0 294.399 -0.462 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001342294454 889748938 /nfs/dbraw/zinc/74/89/38/889748938.db2.gz SWTTYGRQIHLPHQ-XBFCOCLRSA-N 2 0 267.373 -0.108 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001342297912 889749465 /nfs/dbraw/zinc/74/94/65/889749465.db2.gz BOJMUZOZNHTGDY-ZANVPECISA-N 2 0 266.345 -0.772 20 0 CBADRP [NH3+]C1(CNC(=O)C2=CCC[NH2+]CC2)CCOCC1 ZINC001342302856 889749494 /nfs/dbraw/zinc/74/94/94/889749494.db2.gz UMPAKFFABKQLQN-UHFFFAOYSA-N 2 0 253.346 -0.080 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001342297901 889750317 /nfs/dbraw/zinc/75/03/17/889750317.db2.gz BOJMUZOZNHTGDY-NOZJJQNGSA-N 2 0 266.345 -0.772 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001342296311 889750750 /nfs/dbraw/zinc/75/07/50/889750750.db2.gz RXTOEMOGKPSGDI-GARJFASQSA-N 2 0 255.362 -0.193 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)C[C@@]2(O)CCC[NH2+]C2)C[NH2+]1 ZINC001342319514 889753867 /nfs/dbraw/zinc/75/38/67/889753867.db2.gz AVOPDQDHGHYIDV-WZRBSPASSA-N 2 0 255.362 -0.252 20 0 CBADRP [NH3+][C@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC1 ZINC001342410483 889770236 /nfs/dbraw/zinc/77/02/36/889770236.db2.gz QZKSOVIZFBREKY-BYNQJWBRSA-N 2 0 267.373 -0.001 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC001342432693 889772517 /nfs/dbraw/zinc/77/25/17/889772517.db2.gz POOBGYFFRXMPHH-WZRBSPASSA-N 2 0 255.362 -0.273 20 0 CBADRP O=C(CCC1CC[NH2+]CC1)N1CC[NH2+]C[C@@H]1CO ZINC001342441757 889775850 /nfs/dbraw/zinc/77/58/50/889775850.db2.gz XYTRRDHXYKPGDK-GFCCVEGCSA-N 2 0 255.362 -0.441 20 0 CBADRP C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)C[C@H]1CC[NH3+] ZINC001342450178 889777952 /nfs/dbraw/zinc/77/79/52/889777952.db2.gz WSNZTBZVKYAXKW-VXGBXAGGSA-N 2 0 254.378 -0.665 20 0 CBADRP CCN(C(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C)[C@H]1CC[NH2+]C1 ZINC001342476722 889782042 /nfs/dbraw/zinc/78/20/42/889782042.db2.gz VVUWXJAMOVUPOQ-AVGNSLFASA-N 2 0 266.389 -0.415 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)C[C@H]1CC[NH3+] ZINC001342522748 889789910 /nfs/dbraw/zinc/78/99/10/889789910.db2.gz IUBHLKISRMZMMS-BZPMIXESSA-N 2 0 269.389 -0.066 20 0 CBADRP C[C@@H]1C[C@H](C(=O)NCCN2CCC([NH3+])CC2)CC[NH2+]1 ZINC001342549815 889791746 /nfs/dbraw/zinc/79/17/46/889791746.db2.gz XFYVXCHLIYXNLL-VXGBXAGGSA-N 2 0 268.405 -0.086 20 0 CBADRP CC1(C)CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C[C@H]1[NH3+] ZINC001342575511 889794571 /nfs/dbraw/zinc/79/45/71/889794571.db2.gz VTPCTEZILKQCKQ-CWSCBRNRSA-N 2 0 253.346 -0.582 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[N@@H+]1C ZINC001342571841 889795859 /nfs/dbraw/zinc/79/58/59/889795859.db2.gz YMVUHMGICRPZBA-WOPDTQHZSA-N 2 0 282.388 -0.608 20 0 CBADRP O=C(C[NH2+]C1CC1)NCCCCCN1CC[NH2+]CC1 ZINC001342597362 889798729 /nfs/dbraw/zinc/79/87/29/889798729.db2.gz KIRUUEQBRCWXAL-UHFFFAOYSA-N 2 0 268.405 -0.070 20 0 CBADRP [NH3+]Cc1cc(C(=O)N2CCNCC[NH2+]CC2)co1 ZINC001342621527 889801695 /nfs/dbraw/zinc/80/16/95/889801695.db2.gz HISHLBQEVVSNDR-UHFFFAOYSA-N 2 0 252.318 -0.627 20 0 CBADRP O=C([C@@H]1C[NH2+]CCC12CCC2)N1CCNCC[NH2+]CC1 ZINC001342620909 889802238 /nfs/dbraw/zinc/80/22/38/889802238.db2.gz DDOKKPKMUZQXSE-ZDUSSCGKSA-N 2 0 280.416 -0.212 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCNCC[NH2+]CC2)CC[N@@H+]1C ZINC001342623488 889804165 /nfs/dbraw/zinc/80/41/65/889804165.db2.gz UNUIRXPWRXPDMQ-VXGBXAGGSA-N 2 0 254.378 -0.652 20 0 CBADRP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCNCC[NH2+]CC1 ZINC001342622904 889804381 /nfs/dbraw/zinc/80/43/81/889804381.db2.gz NIWMQZDHYSHCQF-JTQLQIEISA-N 2 0 276.331 -0.747 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)[C@H]1C[NH2+]CCN1C ZINC001342628246 889804704 /nfs/dbraw/zinc/80/47/04/889804704.db2.gz GJTWACTXYVLMOQ-NNYUYHANSA-N 2 0 254.378 -0.513 20 0 CBADRP C[NH2+]CCCC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001342687822 889815673 /nfs/dbraw/zinc/81/56/73/889815673.db2.gz NMCWHKKTWRBWRH-NSHDSACASA-N 2 0 283.372 -0.213 20 0 CBADRP C[C@]1(C(=O)NCCCCCN2CC[NH2+]CC2)C[C@H](O)C[NH2+]1 ZINC001342678225 889815710 /nfs/dbraw/zinc/81/57/10/889815710.db2.gz AKNIIUXPVKHJOA-DZGCQCFKSA-N 2 0 298.431 -0.709 20 0 CBADRP C[C@H](C[NH3+])C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001342688805 889815771 /nfs/dbraw/zinc/81/57/71/889815771.db2.gz DINQWGPYLJRZDX-NXEZZACHSA-N 2 0 269.345 -0.617 20 0 CBADRP CC[NH2+]CC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001342687946 889816148 /nfs/dbraw/zinc/81/61/48/889816148.db2.gz PRPVUGNLEWRQLX-UHFFFAOYSA-N 2 0 256.394 -0.212 20 0 CBADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001342697181 889817842 /nfs/dbraw/zinc/81/78/42/889817842.db2.gz ZCILDLHYGDOCJL-YNEHKIRRSA-N 2 0 267.373 -0.204 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001342704641 889818529 /nfs/dbraw/zinc/81/85/29/889818529.db2.gz KPDIWDOLUBQLQP-UHFFFAOYSA-N 2 0 297.447 -0.965 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001342696029 889818835 /nfs/dbraw/zinc/81/88/35/889818835.db2.gz LFZABOOUMGOPJR-RWMBFGLXSA-N 2 0 269.389 -0.101 20 0 CBADRP O=C(C[NH2+]C1CC1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001342695833 889819050 /nfs/dbraw/zinc/81/90/50/889819050.db2.gz KYCQKSNHXLXLFW-CHWSQXEVSA-N 2 0 267.373 -0.204 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC001342724398 889820893 /nfs/dbraw/zinc/82/08/93/889820893.db2.gz WUZLKAHWKGEKDY-NTZNESFSSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)C[C@H]1C[NH3+] ZINC001342757206 889824786 /nfs/dbraw/zinc/82/47/86/889824786.db2.gz KJWWZLDWRNGWBQ-FDYHWXHSSA-N 2 0 266.389 -0.572 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001342770217 889826211 /nfs/dbraw/zinc/82/62/11/889826211.db2.gz ANVWOOOZWZXIAF-QJPTWQEYSA-N 2 0 254.378 -0.667 20 0 CBADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnnn1C ZINC001342790940 889829251 /nfs/dbraw/zinc/82/92/51/889829251.db2.gz CCPMDQUTNJNJIO-GFCCVEGCSA-N 2 0 266.393 -0.069 20 0 CBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC2(CC1)C[NH2+]CCO2 ZINC001342824488 889832085 /nfs/dbraw/zinc/83/20/85/889832085.db2.gz XARIELILRWXWFX-GDNZZTSVSA-N 2 0 265.357 -0.567 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)CC[N@H+](C)CC1 ZINC001342912421 889845918 /nfs/dbraw/zinc/84/59/18/889845918.db2.gz CSFJXQBAABBOMB-RQJABVFESA-N 2 0 280.416 -0.325 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCC1([NH3+])CCCCC1 ZINC001343022571 889855624 /nfs/dbraw/zinc/85/56/24/889855624.db2.gz QEEUXQAEABIMSB-QWRGUYRKSA-N 2 0 257.378 -0.019 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001343024471 889858425 /nfs/dbraw/zinc/85/84/25/889858425.db2.gz ASDXYVGGVLFCFJ-LBPRGKRZSA-N 2 0 272.393 -0.944 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001343031305 889859551 /nfs/dbraw/zinc/85/95/51/889859551.db2.gz GFMQPCGMVGPJDF-AAEUAGOBSA-N 2 0 252.362 -0.756 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC001343055395 889862146 /nfs/dbraw/zinc/86/21/46/889862146.db2.gz OFFHABOOWWZRNK-JTQLQIEISA-N 2 0 268.361 -0.062 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@@H]2[NH2+]CC23CCCC3)CC1 ZINC001343097758 889868101 /nfs/dbraw/zinc/86/81/01/889868101.db2.gz JAXHFSZUSHYBLA-NSHDSACASA-N 2 0 267.373 -0.169 20 0 CBADRP CC(C)[NH2+]CC(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001343254532 889881889 /nfs/dbraw/zinc/88/18/89/889881889.db2.gz GBIJMUDWLZEFHD-UHFFFAOYSA-N 2 0 255.362 -0.036 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCC1CC[NH+](C)CC1 ZINC001343407848 889902761 /nfs/dbraw/zinc/90/27/61/889902761.db2.gz NUMXAMSLLYCKMH-ZYHUDNBSSA-N 2 0 257.378 -0.339 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC001343440043 889908607 /nfs/dbraw/zinc/90/86/07/889908607.db2.gz VECHPBTVFHQNQD-WOPDTQHZSA-N 2 0 257.378 -0.339 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)[C@H]1C ZINC001343484916 889918666 /nfs/dbraw/zinc/91/86/66/889918666.db2.gz BHVZVMCJFAKVCO-SRVKXCTJSA-N 2 0 282.388 -0.608 20 0 CBADRP [NH3+][C@H](CO)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001343507358 889925035 /nfs/dbraw/zinc/92/50/35/889925035.db2.gz ITQQUVCDOYDSLH-IJLUTSLNSA-N 2 0 255.362 -0.456 20 0 CBADRP C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@@H]1C[N@H+](C)CCN1C ZINC001343581619 889935941 /nfs/dbraw/zinc/93/59/41/889935941.db2.gz CPMIKFJCWBRHLM-AVGNSLFASA-N 2 0 268.405 -0.264 20 0 CBADRP CN(C(=O)Cc1csc(C[NH3+])n1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001343578996 889936136 /nfs/dbraw/zinc/93/61/36/889936136.db2.gz ZYBGGGGUKMISOX-GDGBQDQQSA-N 2 0 266.370 -0.180 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3=NO[C@H](C[NH3+])C3)[C@H]2C1 ZINC001343592896 889937809 /nfs/dbraw/zinc/93/78/09/889937809.db2.gz SLLCZEZBCXYUSF-NAKRPEOUSA-N 2 0 266.345 -0.454 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)N[C@H]2C[NH2+]CC23CC3)n1 ZINC001343641319 889942378 /nfs/dbraw/zinc/94/23/78/889942378.db2.gz OPNVFRWNMMNBOO-NSHDSACASA-N 2 0 263.345 -0.286 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)[C@H]3C[NH2+]CCO3)[C@H]2C1 ZINC001343683706 889947943 /nfs/dbraw/zinc/94/79/43/889947943.db2.gz QGLAOGLRPZUICZ-NNYUYHANSA-N 2 0 253.346 -0.569 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001343918828 889977173 /nfs/dbraw/zinc/97/71/73/889977173.db2.gz IGSIRXBMIYPQPC-OBJOEFQTSA-N 2 0 266.389 -0.523 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001344012000 889989512 /nfs/dbraw/zinc/98/95/12/889989512.db2.gz SLSLYKSCFUECQJ-AOIOQCJFSA-N 2 0 265.357 -0.355 20 0 CBADRP C[NH2+]CCOCCNC(=O)c1cn2cc(C[NH3+])ccc2n1 ZINC001344344944 890015716 /nfs/dbraw/zinc/01/57/16/890015716.db2.gz VETNMROAEBVAJB-UHFFFAOYSA-N 2 0 291.355 -0.241 20 0 CBADRP [NH3+]CCNCC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC001344410678 890024124 /nfs/dbraw/zinc/02/41/24/890024124.db2.gz LBJCEYSLEOJIHY-ZDUSSCGKSA-N 2 0 264.373 -0.389 20 0 CBADRP C[C@@]1(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C[C@@H](O)C[NH2+]1 ZINC001344422443 890027166 /nfs/dbraw/zinc/02/71/66/890027166.db2.gz UCTNSGBLKYNXOH-WDMOLILDSA-N 2 0 269.389 -0.006 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N(CC[NH3+])CC(F)(F)F ZINC001344527142 890034701 /nfs/dbraw/zinc/03/47/01/890034701.db2.gz GFQATNOMLGWANM-QMMMGPOBSA-N 2 0 268.283 -0.760 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCC(C)(C)[NH3+] ZINC001344548245 890039102 /nfs/dbraw/zinc/03/91/02/890039102.db2.gz MRZZORIOLHCULV-MNOVXSKESA-N 2 0 254.378 -0.382 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001344988547 890086632 /nfs/dbraw/zinc/08/66/32/890086632.db2.gz MFOAHYIQNDJHDY-KOLCDFICSA-N 2 0 261.391 -0.621 20 0 CBADRP O=C(N1CCNCC[NH2+]CC1)C1(C2CC[NH2+]CC2)CC1 ZINC001344962855 890088108 /nfs/dbraw/zinc/08/81/08/890088108.db2.gz KOTLICYAIFNRIA-UHFFFAOYSA-N 2 0 280.416 -0.212 20 0 CBADRP C[C@@H]1CN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)C[C@H]1[NH3+] ZINC001345028269 890090355 /nfs/dbraw/zinc/09/03/55/890090355.db2.gz YITOSRCINHHCOD-NXEZZACHSA-N 2 0 266.345 -0.310 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC001345058302 890092798 /nfs/dbraw/zinc/09/27/98/890092798.db2.gz XLXQKDZFOKSIJN-YNEHKIRRSA-N 2 0 294.399 -0.748 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001345359501 890122025 /nfs/dbraw/zinc/12/20/25/890122025.db2.gz OPAZVXPTQZARKM-WDEREUQCSA-N 2 0 255.362 -0.049 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001345379761 890124952 /nfs/dbraw/zinc/12/49/52/890124952.db2.gz FWIXBLAQGOVHJO-WDEREUQCSA-N 2 0 282.388 -0.702 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1=O ZINC001345499493 890137743 /nfs/dbraw/zinc/13/77/43/890137743.db2.gz BFRVWOZDDDLTSU-WISYIIOYSA-N 2 0 280.372 -0.807 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001345512828 890138131 /nfs/dbraw/zinc/13/81/31/890138131.db2.gz DIHIYFCJDAADMW-NOOOWODRSA-N 2 0 253.346 -0.236 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001345500000 890138597 /nfs/dbraw/zinc/13/85/97/890138597.db2.gz DIHIYFCJDAADMW-NNYUYHANSA-N 2 0 253.346 -0.236 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001345537384 890140044 /nfs/dbraw/zinc/14/00/44/890140044.db2.gz URHQUCPLTQSSGC-AAEUAGOBSA-N 2 0 266.389 -0.415 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001345537387 890140408 /nfs/dbraw/zinc/14/04/08/890140408.db2.gz URHQUCPLTQSSGC-YPMHNXCESA-N 2 0 266.389 -0.415 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCC[NH+]1CCCC1 ZINC001345536148 890141249 /nfs/dbraw/zinc/14/12/49/890141249.db2.gz JLJNAJHQXFVGPY-KBPBESRZSA-N 2 0 280.416 -0.023 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@@H]1CC12CC[NH2+]CC2 ZINC001345597715 890144812 /nfs/dbraw/zinc/14/48/12/890144812.db2.gz SUWKRUGYTYYARL-GHMZBOCLSA-N 2 0 253.346 -0.377 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC001345600141 890146409 /nfs/dbraw/zinc/14/64/09/890146409.db2.gz AOMJDUZFPBDAEU-NTZNESFSSA-N 2 0 254.378 -0.395 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC001345656002 890152110 /nfs/dbraw/zinc/15/21/10/890152110.db2.gz LKXIKHCQGSXYIY-CIUCYMIDSA-N 2 0 267.373 -0.011 20 0 CBADRP COCC[NH2+]CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001345780210 890165131 /nfs/dbraw/zinc/16/51/31/890165131.db2.gz BHRADKOIDOXFAH-CYBMUJFWSA-N 2 0 299.415 -0.161 20 0 CBADRP [NH3+]C[C@H]1CCCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC001345810355 890167679 /nfs/dbraw/zinc/16/76/79/890167679.db2.gz CGLGTVMDEJENGU-LLVKDONJSA-N 2 0 255.362 -0.048 20 0 CBADRP C[N@@H+]1CCCC[C@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC001345821751 890170351 /nfs/dbraw/zinc/17/03/51/890170351.db2.gz FILFEXRNWUZNKW-UWVGGRQHSA-N 2 0 254.334 -0.310 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(Cc2nc(C(C)(C)[NH3+])no2)CCO1 ZINC001346016999 890194522 /nfs/dbraw/zinc/19/45/22/890194522.db2.gz HTIMJGYETFDOMN-DTWKUNHWSA-N 2 0 269.349 -0.189 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C ZINC001346173080 890229892 /nfs/dbraw/zinc/22/98/92/890229892.db2.gz KBGFAHUHGCAOKA-KBPBESRZSA-N 2 0 298.431 -0.541 20 0 CBADRP CCOC[C@@H](O)C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC001346204219 890239554 /nfs/dbraw/zinc/23/95/54/890239554.db2.gz QXOYRHZRFOJPFQ-OLZOCXBDSA-N 2 0 259.394 -0.391 20 0 CBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCNCC[NH2+]CC1 ZINC001346326918 890266786 /nfs/dbraw/zinc/26/67/86/890266786.db2.gz UVKKAOHTKSRDMV-LBPRGKRZSA-N 2 0 281.404 -0.573 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC001346321405 890268526 /nfs/dbraw/zinc/26/85/26/890268526.db2.gz VKPOBEUZSUQERN-NEPJUHHUSA-N 2 0 256.394 -0.147 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC001346319265 890268899 /nfs/dbraw/zinc/26/88/99/890268899.db2.gz JXSWAWAMUYVDKX-IUCAKERBSA-N 2 0 264.320 -0.621 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCNCC[NH2+]CC1 ZINC001346326911 890269191 /nfs/dbraw/zinc/26/91/91/890269191.db2.gz UVKKAOHTKSRDMV-GFCCVEGCSA-N 2 0 281.404 -0.573 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001346430956 890292759 /nfs/dbraw/zinc/29/27/59/890292759.db2.gz UOZJJLWVSOXXQW-TUAOUCFPSA-N 2 0 255.362 -0.144 20 0 CBADRP C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001448866153 913436810 /nfs/dbraw/zinc/43/68/10/913436810.db2.gz QSATVQRRBHFYNY-NWDGAFQWSA-N 2 0 285.388 -0.938 20 0 CBADRP CCN(C(=O)[C@H](C)[C@H](O)C[NH2+]C)[C@@H]1CCC[NH2+]C1 ZINC001346561579 890325510 /nfs/dbraw/zinc/32/55/10/890325510.db2.gz VBKANMRUIQEBSC-IJLUTSLNSA-N 2 0 257.378 -0.197 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCCO1 ZINC001346687514 890342015 /nfs/dbraw/zinc/34/20/15/890342015.db2.gz ZJHPRUXELNOCHT-NNYUYHANSA-N 2 0 268.361 -0.362 20 0 CBADRP CC(C)(C(=O)NC[C@H](CO)[NH2+]CCF)[NH+]1CCCC1 ZINC001448891053 913444493 /nfs/dbraw/zinc/44/44/93/913444493.db2.gz QTNXQQPWBJDHEG-LLVKDONJSA-N 2 0 275.368 -0.103 20 0 CBADRP CC(C)(C[NH3+])NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001347061957 890396828 /nfs/dbraw/zinc/39/68/28/890396828.db2.gz VBKJQTFMCRWESG-UHFFFAOYSA-N 2 0 268.321 -0.823 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001347156679 890417604 /nfs/dbraw/zinc/41/76/04/890417604.db2.gz ALLGFEMVIPUDHC-CHWSQXEVSA-N 2 0 284.404 -0.896 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC001347156682 890418212 /nfs/dbraw/zinc/41/82/12/890418212.db2.gz ALLGFEMVIPUDHC-STQMWFEESA-N 2 0 284.404 -0.896 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001347157683 890418936 /nfs/dbraw/zinc/41/89/36/890418936.db2.gz PZQKTSLEBDOAEO-WCQGTBRESA-N 2 0 255.362 -0.051 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001347156988 890419146 /nfs/dbraw/zinc/41/91/46/890419146.db2.gz FYPJNMUYKUEDGP-WXHSDQCUSA-N 2 0 267.373 -0.049 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)NCC1([NH3+])CCOCC1 ZINC001348308573 890590532 /nfs/dbraw/zinc/59/05/32/890590532.db2.gz WRCJBOZQJQYZMJ-JTQLQIEISA-N 2 0 258.366 -0.209 20 0 CBADRP C[C@@H](F)CC[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001448949189 913467633 /nfs/dbraw/zinc/46/76/33/913467633.db2.gz DTPORZDNUMILSX-NEPJUHHUSA-N 2 0 275.368 -0.103 20 0 CBADRP c1c(CCN2CC[NH2+]CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001348512762 890637309 /nfs/dbraw/zinc/63/73/09/890637309.db2.gz UNZDANDSIWNRCB-LBPRGKRZSA-N 2 0 250.350 -0.740 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC001348575372 890652829 /nfs/dbraw/zinc/65/28/29/890652829.db2.gz XOZYZAJELLCYAS-FRRDWIJNSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001348573545 890654067 /nfs/dbraw/zinc/65/40/67/890654067.db2.gz JNTVHECUEGHQPD-AVGNSLFASA-N 2 0 298.431 -0.053 20 0 CBADRP COCC1(C(=O)N2CCC([NH3+])CC2)CC[NH2+]CC1 ZINC001349139995 890764196 /nfs/dbraw/zinc/76/41/96/890764196.db2.gz YHFJYZYVHXGQQH-UHFFFAOYSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)nn1 ZINC001349226772 890780274 /nfs/dbraw/zinc/78/02/74/890780274.db2.gz DSSFHSMAPRVYQT-UWVGGRQHSA-N 2 0 284.339 -0.553 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001349274266 890787168 /nfs/dbraw/zinc/78/71/68/890787168.db2.gz WGLWHBYYNKRSCQ-KOLCDFICSA-N 2 0 266.349 -0.505 20 0 CBADRP NS(=O)(=O)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001349323939 890792692 /nfs/dbraw/zinc/79/26/92/890792692.db2.gz AHRKAJATRHRMHD-UHFFFAOYSA-N 2 0 261.391 -0.261 20 0 CBADRP NC(=O)C[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC001349388541 890805896 /nfs/dbraw/zinc/80/58/96/890805896.db2.gz DDPYUXHLGAAQNE-LBPRGKRZSA-N 2 0 254.378 -0.521 20 0 CBADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC001349597280 890845763 /nfs/dbraw/zinc/84/57/63/890845763.db2.gz VEEQGIIMTWOSLT-YPMHNXCESA-N 2 0 287.379 -0.103 20 0 CBADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC001349597279 890846652 /nfs/dbraw/zinc/84/66/52/890846652.db2.gz VEEQGIIMTWOSLT-WCQYABFASA-N 2 0 287.379 -0.103 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC001349600437 890847025 /nfs/dbraw/zinc/84/70/25/890847025.db2.gz UKQPGATVVFXGAD-GARJFASQSA-N 2 0 259.325 -0.571 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC001349657132 890859879 /nfs/dbraw/zinc/85/98/79/890859879.db2.gz YSQFRYBHZPIDGO-DGCLKSJQSA-N 2 0 256.394 -0.229 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)C[C@H](C[NH3+])OC)CC1 ZINC001349655293 890861546 /nfs/dbraw/zinc/86/15/46/890861546.db2.gz DQLOYYFXRNEZFE-GFCCVEGCSA-N 2 0 273.377 -0.423 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001349807117 890895085 /nfs/dbraw/zinc/89/50/85/890895085.db2.gz CIZOORQJVHRFNN-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001349994639 890921955 /nfs/dbraw/zinc/92/19/55/890921955.db2.gz LQNJYZRSIVKEQY-RWMBFGLXSA-N 2 0 296.415 -0.312 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001350047562 890929141 /nfs/dbraw/zinc/92/91/41/890929141.db2.gz VMAHIHMNNCWJEU-BETUJISGSA-N 2 0 298.431 -0.066 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001350058842 890931173 /nfs/dbraw/zinc/93/11/73/890931173.db2.gz VCDTUCSUVQORRR-TUAOUCFPSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001350188357 890944152 /nfs/dbraw/zinc/94/41/52/890944152.db2.gz PWFWHMZTTTYPAZ-GXTWGEPZSA-N 2 0 269.389 -0.004 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001350188422 890945016 /nfs/dbraw/zinc/94/50/16/890945016.db2.gz PWFWHMZTTTYPAZ-JSGCOSHPSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@H](CCCC[NH3+])NC(=O)c1cn(CC[NH3+])nn1 ZINC001350398340 890975565 /nfs/dbraw/zinc/97/55/65/890975565.db2.gz NCAYBKOPPQFHLE-SECBINFHSA-N 2 0 254.338 -0.516 20 0 CBADRP CN(C(=O)[C@@H]1CCO[C@H]1C[NH3+])C1CC[NH+](C)CC1 ZINC001350405287 890978682 /nfs/dbraw/zinc/97/86/82/890978682.db2.gz NNOCPNXMJWBGLA-NEPJUHHUSA-N 2 0 255.362 -0.097 20 0 CBADRP CC(C)[NH2+]CC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001350405865 890979792 /nfs/dbraw/zinc/97/97/92/890979792.db2.gz WCUBCQGACXWQHU-UHFFFAOYSA-N 2 0 253.306 -0.745 20 0 CBADRP C[NH+](C)CCOCC[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC001350965120 891079893 /nfs/dbraw/zinc/07/98/93/891079893.db2.gz MZGWVWJENCUVJP-LBPRGKRZSA-N 2 0 285.388 -0.551 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)CCC[NH+](C)C ZINC001351731689 891178771 /nfs/dbraw/zinc/17/87/71/891178771.db2.gz NDNNGORECGWPLF-QWHCGFSZSA-N 2 0 268.405 -0.215 20 0 CBADRP NC(=O)C1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC001352776527 891293205 /nfs/dbraw/zinc/29/32/05/891293205.db2.gz NGCDKYGRUFQGHB-OCCSQVGLSA-N 2 0 267.373 -0.048 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001352826606 891302509 /nfs/dbraw/zinc/30/25/09/891302509.db2.gz ZYIMEABMDPADHK-IBGZPJMESA-N 2 0 289.445 -0.009 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C[C@H](C)[NH3+])CC1 ZINC001352850166 891307267 /nfs/dbraw/zinc/30/72/67/891307267.db2.gz VZWSFEQUZVOXBT-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP [NH3+]Cc1cc(C(=O)NC[C@H]2COCC[NH2+]2)ccn1 ZINC001352849258 891309752 /nfs/dbraw/zinc/30/97/52/891309752.db2.gz DGTDMPFSJUMWMI-NSHDSACASA-N 2 0 250.302 -0.742 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@H]1CC[NH+]1C ZINC001352985897 891335478 /nfs/dbraw/zinc/33/54/78/891335478.db2.gz MXGLPTPJDSORHZ-IJLUTSLNSA-N 2 0 252.362 -0.805 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC001353056199 891348960 /nfs/dbraw/zinc/34/89/60/891348960.db2.gz TVWDNGRCBLGPLQ-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC001353056211 891350695 /nfs/dbraw/zinc/35/06/95/891350695.db2.gz UDSGBQJOGFZATK-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC001353071356 891356885 /nfs/dbraw/zinc/35/68/85/891356885.db2.gz ITEOZJJOFNUJHO-NEPJUHHUSA-N 2 0 267.373 -0.177 20 0 CBADRP CC[NH+]1CCN(C2CN(C(=O)[C@@H](C)[NH+](C)C)C2)CC1 ZINC001353087409 891359307 /nfs/dbraw/zinc/35/93/07/891359307.db2.gz RBEXQWXOGONKGJ-GFCCVEGCSA-N 2 0 268.405 -0.215 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001353287240 891394098 /nfs/dbraw/zinc/39/40/98/891394098.db2.gz XZCGLWSWOIFIRC-VWYCJHECSA-N 2 0 268.361 -0.985 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001353341257 891408213 /nfs/dbraw/zinc/40/82/13/891408213.db2.gz SASQUHGEUCURSR-GRYCIOLGSA-N 2 0 269.393 -0.861 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC001353390697 891420708 /nfs/dbraw/zinc/42/07/08/891420708.db2.gz PYGOKXPLIFKNAX-NSHDSACASA-N 2 0 272.393 -0.057 20 0 CBADRP CCO[C@H](CNC(=O)NCCC[NH2+]C)C[NH+](C)C ZINC001353414187 891423522 /nfs/dbraw/zinc/42/35/22/891423522.db2.gz QSNINNPWAJUEHP-LLVKDONJSA-N 2 0 260.382 -0.138 20 0 CBADRP CCO[C@H](CNC(=O)N(CC)CC[NH3+])C[NH+](C)C ZINC001353467187 891431249 /nfs/dbraw/zinc/43/12/49/891431249.db2.gz MHSYAYYMCATTAL-LLVKDONJSA-N 2 0 260.382 -0.057 20 0 CBADRP CCO[C@@H](CNC(=O)N1CC[C@H]([NH3+])C1)C[NH+](C)C ZINC001353466181 891431414 /nfs/dbraw/zinc/43/14/14/891431414.db2.gz DICZUGXSRVUHIT-QWRGUYRKSA-N 2 0 258.366 -0.304 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001353491818 891433289 /nfs/dbraw/zinc/43/32/89/891433289.db2.gz BEHAORFPCBUENQ-QJPTWQEYSA-N 2 0 270.377 -0.243 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001353496712 891437491 /nfs/dbraw/zinc/43/74/91/891437491.db2.gz TYGPKODSASPTTF-GXSJLCMTSA-N 2 0 255.362 -0.315 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001353601968 891450266 /nfs/dbraw/zinc/45/02/66/891450266.db2.gz FMVHXLZHFFGHQL-NEPJUHHUSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@H](CNC(=O)CC1CC([NH3+])C1)N1CC[NH+](C)CC1 ZINC001353584367 891450469 /nfs/dbraw/zinc/45/04/69/891450469.db2.gz VGSHQOXGNPNRFA-PNESKVBLSA-N 2 0 268.405 -0.134 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001353632803 891454160 /nfs/dbraw/zinc/45/41/60/891454160.db2.gz FTUFGAWVLOTYIZ-SGMGOOAPSA-N 2 0 269.389 -0.195 20 0 CBADRP O=C(N1CCN([C@H]2CC[NH2+]C2)CC1)C12CC(C1)C[NH2+]2 ZINC001353645039 891455215 /nfs/dbraw/zinc/45/52/15/891455215.db2.gz GEJPWYGVSNDDFT-LXVYMNJGSA-N 2 0 264.373 -0.756 20 0 CBADRP CN(C(=O)c1ccn(CCC[NH3+])n1)C1CC([NH3+])C1 ZINC001353654084 891456470 /nfs/dbraw/zinc/45/64/70/891456470.db2.gz HNQQSXALJXYEDL-UHFFFAOYSA-N 2 0 251.334 -0.206 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)C[C@@]1(O)CCC[NH2+]C1)C(F)F ZINC001353656223 891459185 /nfs/dbraw/zinc/45/91/85/891459185.db2.gz WOLHWNIIADQOEQ-KCJUWKMLSA-N 2 0 265.304 -0.410 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001353729892 891467941 /nfs/dbraw/zinc/46/79/41/891467941.db2.gz VZVDOXCBHOOPFO-FVCCEPFGSA-N 2 0 269.389 -0.102 20 0 CBADRP [NH3+]CC1(C(=O)N2CCC3(CC[NH2+]3)CC2)CC(O)C1 ZINC001353928500 891488423 /nfs/dbraw/zinc/48/84/23/891488423.db2.gz LEOOPKFXSHCHOJ-UHFFFAOYSA-N 2 0 253.346 -0.559 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001353957803 891490380 /nfs/dbraw/zinc/49/03/80/891490380.db2.gz JRDXZGBVFXFBRQ-WGBDABJCSA-N 2 0 255.362 -0.146 20 0 CBADRP C[C@@H]1C[N@H+](CC(=O)N2CC[NH2+]CC2)C[C@H]1CC[NH3+] ZINC001353937201 891491685 /nfs/dbraw/zinc/49/16/85/891491685.db2.gz ZHYRXIKZKYXKAF-VXGBXAGGSA-N 3 0 254.378 -0.665 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC001354145101 891523203 /nfs/dbraw/zinc/52/32/03/891523203.db2.gz KFOCJJQAVYAMDR-WOPDTQHZSA-N 2 0 269.389 -0.006 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC001354145099 891524246 /nfs/dbraw/zinc/52/42/46/891524246.db2.gz KFOCJJQAVYAMDR-SRVKXCTJSA-N 2 0 269.389 -0.006 20 0 CBADRP CN(Cc1cccs1)C(=O)CNC(C[NH3+])C[NH3+] ZINC001354185137 891529286 /nfs/dbraw/zinc/52/92/86/891529286.db2.gz QIOXJGTWAMOKKV-UHFFFAOYSA-N 2 0 256.375 -0.418 20 0 CBADRP CCO[C@@H]1CN(C(=O)C2CC([NH2+]C)C2)C[C@H]1C[NH3+] ZINC001354179362 891529509 /nfs/dbraw/zinc/52/95/09/891529509.db2.gz KYRYKGWFVNXBGG-RUJICJSRSA-N 2 0 255.362 -0.193 20 0 CBADRP O=C(C[N@H+]1CCCCC[C@@H]1CO)N1CC[NH2+]CC1 ZINC001354184990 891530346 /nfs/dbraw/zinc/53/03/46/891530346.db2.gz OWHNSWJFUKOVTR-GFCCVEGCSA-N 2 0 255.362 -0.345 20 0 CBADRP [NH3+]C[C@@H](C(=O)NCC1(O)C[NH2+]C1)C1CCCCCC1 ZINC001354223452 891539332 /nfs/dbraw/zinc/53/93/32/891539332.db2.gz LXWINIAQHXGBTI-GFCCVEGCSA-N 2 0 269.389 -0.018 20 0 CBADRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001354259639 891549909 /nfs/dbraw/zinc/54/99/09/891549909.db2.gz KLYVXVMGTKPNIG-JTQLQIEISA-N 2 0 255.362 -0.001 20 0 CBADRP CCC(CC)(C[NH3+])C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001354259640 891550817 /nfs/dbraw/zinc/55/08/17/891550817.db2.gz KLYVXVMGTKPNIG-SNVBAGLBSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]C[C@H](O)CNC(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]12 ZINC001354297233 891556283 /nfs/dbraw/zinc/55/62/83/891556283.db2.gz LFZZRPCUUZNPCI-FIQHERPVSA-N 2 0 255.362 -0.410 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC001354397230 891576430 /nfs/dbraw/zinc/57/64/30/891576430.db2.gz NJUJYNBBRQQASK-RDBSUJKOSA-N 2 0 299.415 -0.114 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001354423200 891577193 /nfs/dbraw/zinc/57/71/93/891577193.db2.gz BOXUEEPANBLYPZ-LLVKDONJSA-N 2 0 271.361 -0.811 20 0 CBADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001354436204 891579941 /nfs/dbraw/zinc/57/99/41/891579941.db2.gz KXELYJZSTMZSCR-KXNHARMFSA-N 2 0 253.346 -0.690 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC001354462307 891583765 /nfs/dbraw/zinc/58/37/65/891583765.db2.gz NPSTZEKMHMYWBJ-OCCSQVGLSA-N 2 0 265.357 -0.101 20 0 CBADRP C[C@H](NC(=O)[C@@H]1C[NH2+]CCN1C)C1CC[NH2+]CC1 ZINC001354523109 891588961 /nfs/dbraw/zinc/58/89/61/891588961.db2.gz ICSRECHZEMPTQY-JQWIXIFHSA-N 2 0 254.378 -0.606 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[NH2+]CCC1(C)C ZINC001354511682 891589962 /nfs/dbraw/zinc/58/99/62/891589962.db2.gz HXXCGSMAELGGKP-LLVKDONJSA-N 2 0 254.378 -0.510 20 0 CBADRP [NH3+]CC1(CC(=O)N2NC(=O)C[C@]23CC[NH2+]C3)CC1 ZINC001354511985 891591204 /nfs/dbraw/zinc/59/12/04/891591204.db2.gz LOIHEEFHONMWGL-LBPRGKRZSA-N 2 0 252.318 -0.889 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001354582932 891596485 /nfs/dbraw/zinc/59/64/85/891596485.db2.gz YSECVXYGUZNEMT-MEWQQHAOSA-N 2 0 255.362 -0.396 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N[C@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C ZINC001354594592 891600286 /nfs/dbraw/zinc/60/02/86/891600286.db2.gz SKCQBDSVIVBPJB-DBIOUOCHSA-N 2 0 269.389 -0.023 20 0 CBADRP CN(C)c1cc[nH+]c(CNC(=O)[C@@H]([NH3+])C(C)(C)O)c1 ZINC001354761097 891616039 /nfs/dbraw/zinc/61/60/39/891616039.db2.gz VEOWUKVDMLSPNW-LLVKDONJSA-N 2 0 266.345 -0.138 20 0 CBADRP COC1(C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC[NH2+]CC1 ZINC001354818901 891621630 /nfs/dbraw/zinc/62/16/30/891621630.db2.gz GRHSJZPJJSZBPW-SNVBAGLBSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)CC(=O)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001354905367 891627821 /nfs/dbraw/zinc/62/78/21/891627821.db2.gz OZMGFVBVZFIAFT-ZDUSSCGKSA-N 2 0 263.345 -0.455 20 0 CBADRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)C[C@H]1C[NH2+]CCO1 ZINC001354894265 891627958 /nfs/dbraw/zinc/62/79/58/891627958.db2.gz UAHXJSZVAXXFBM-BJDJZHNGSA-N 2 0 255.362 -0.038 20 0 CBADRP CCO[C@@H](CNC(=O)C[C@@H](C[NH3+])OC)C[NH+](C)C ZINC001354943712 891631442 /nfs/dbraw/zinc/63/14/42/891631442.db2.gz MRWIJGQHBZDIPI-QWRGUYRKSA-N 2 0 261.366 -0.567 20 0 CBADRP CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001449378414 913577587 /nfs/dbraw/zinc/57/75/87/913577587.db2.gz REKUNPLRKGSBTO-IKWCTNDRSA-N 2 0 296.415 -0.348 20 0 CBADRP CN(C(=O)CC[NH+](C)C)C1CC([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001449382735 913577821 /nfs/dbraw/zinc/57/78/21/913577821.db2.gz HBKBUJCCXSWNJS-BPCQOVAHSA-N 2 0 296.415 -0.252 20 0 CBADRP [NH3+]CCCCCCC(=O)N1CCNCC[NH2+]CC1 ZINC001355027749 891637443 /nfs/dbraw/zinc/63/74/43/891637443.db2.gz IQTOLQXEYUIHLE-UHFFFAOYSA-N 2 0 256.394 -0.083 20 0 CBADRP O=C(CC[C@@H]1CCC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC001355014719 891637915 /nfs/dbraw/zinc/63/79/15/891637915.db2.gz AFBVZHJMNJZGHB-ZDUSSCGKSA-N 2 0 268.405 -0.212 20 0 CBADRP [NH3+][C@H](C(=O)N1CCC[C@]([NH3+])(CO)C1)c1ccccc1 ZINC001355042778 891640372 /nfs/dbraw/zinc/64/03/72/891640372.db2.gz LFMJJSUQDICQDD-GXTWGEPZSA-N 2 0 263.341 -0.001 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)=NO1 ZINC001355086438 891644939 /nfs/dbraw/zinc/64/49/39/891644939.db2.gz HQERBMTVKHBCKA-IVZWLZJFSA-N 2 0 252.318 -0.842 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)c1cn(CCC[NH3+])nn1 ZINC001355389530 891671446 /nfs/dbraw/zinc/67/14/46/891671446.db2.gz DVQPICRIXQWIBV-UHFFFAOYSA-N 2 0 268.365 -0.349 20 0 CBADRP [NH3+]C[C@H](O)CCc1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC001355401725 891674132 /nfs/dbraw/zinc/67/41/32/891674132.db2.gz FNTGWZJIOWNBOS-DGCLKSJQSA-N 2 0 267.377 -0.080 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2C[C@H]([NH3+])C23CCC3)C[NH2+]CCO1 ZINC001355695177 891698774 /nfs/dbraw/zinc/69/87/74/891698774.db2.gz HJNSJWAXHCQWCM-HOSYDEDBSA-N 2 0 253.346 -0.249 20 0 CBADRP CN(CCNS(C)(=O)=O)C[C@]1(C)CCC[NH2+]C1 ZINC001356083398 891726825 /nfs/dbraw/zinc/72/68/25/891726825.db2.gz OLOKARRBZZPMDN-LLVKDONJSA-N 2 0 263.407 -0.143 20 0 CBADRP C[C@@H](NC(=O)CC[NH2+]C1CC1)[C@H]1C[N@H+](C)CCN1C ZINC001356252697 891743643 /nfs/dbraw/zinc/74/36/43/891743643.db2.gz JRQRAANKDDEGDX-DGCLKSJQSA-N 2 0 268.405 -0.121 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001356412011 891756518 /nfs/dbraw/zinc/75/65/18/891756518.db2.gz DUJXVDJFQBYECS-FIQHERPVSA-N 2 0 255.362 -0.193 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC001356438509 891758985 /nfs/dbraw/zinc/75/89/85/891758985.db2.gz PPDPVMREUWOLFL-LPWJVIDDSA-N 2 0 294.399 -0.417 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001356498038 891770530 /nfs/dbraw/zinc/77/05/30/891770530.db2.gz APIMYOQRAYXUPK-GHMZBOCLSA-N 2 0 270.377 -0.702 20 0 CBADRP [NH3+]CCCOC1CCN(C(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC001356499933 891774576 /nfs/dbraw/zinc/77/45/76/891774576.db2.gz WYGUZBJMJUEONC-ZYHUDNBSSA-N 2 0 255.362 -0.062 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCC(CO)CC1 ZINC001356631931 891787120 /nfs/dbraw/zinc/78/71/20/891787120.db2.gz PXSFZAISAHHUPN-CYBMUJFWSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+](C)C1(CNC(=O)N2CCNCC[NH2+]CC2)CCC1 ZINC001357351178 891870763 /nfs/dbraw/zinc/87/07/63/891870763.db2.gz NZEGREULHALPIM-UHFFFAOYSA-N 2 0 283.420 -0.325 20 0 CBADRP [NH3+][C@H](CO)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC001357346486 891871075 /nfs/dbraw/zinc/87/10/75/891871075.db2.gz KSEMOKJWWXEFFB-GFCCVEGCSA-N 2 0 255.362 -0.217 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCCCC[NH+](C)C ZINC001357363176 891875377 /nfs/dbraw/zinc/87/53/77/891875377.db2.gz XAATVBJBFVYLHS-ZDUSSCGKSA-N 2 0 286.420 -0.066 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[N@@H+]1C ZINC001357405581 891887180 /nfs/dbraw/zinc/88/71/80/891887180.db2.gz TXHODYTZFXBJAO-UPJWGTAASA-N 2 0 296.415 -0.217 20 0 CBADRP COCC[NH2+]CCNC(=O)C[NH+]1CCC(CO)CC1 ZINC001357444035 891894409 /nfs/dbraw/zinc/89/44/09/891894409.db2.gz OMFFZRKNIILYOV-UHFFFAOYSA-N 2 0 273.377 -0.957 20 0 CBADRP C[N@@H+]1CCCN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)CC1 ZINC001357453453 891894508 /nfs/dbraw/zinc/89/45/08/891894508.db2.gz NWXXLIJOZFCLTA-LBPRGKRZSA-N 2 0 267.373 -0.081 20 0 CBADRP [NH3+]C1(CNC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CCC1 ZINC001357446310 891894578 /nfs/dbraw/zinc/89/45/78/891894578.db2.gz QLYOJSCPFAZUDM-MFKMUULPSA-N 2 0 253.346 -0.390 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NCC1(C)CC[NH2+]CC1 ZINC001357445607 891895338 /nfs/dbraw/zinc/89/53/38/891895338.db2.gz MQFCVGQPBNLIHC-LLVKDONJSA-N 2 0 254.378 -0.604 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001357471369 891900409 /nfs/dbraw/zinc/90/04/09/891900409.db2.gz DPBJPKQSADQMKY-QCNOEVLYSA-N 2 0 255.362 -0.587 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C1=CCC[NH2+]CC1 ZINC001357486326 891905105 /nfs/dbraw/zinc/90/51/05/891905105.db2.gz LWFCGTNGSMULFE-LBPRGKRZSA-N 2 0 253.346 -0.209 20 0 CBADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001357486865 891905181 /nfs/dbraw/zinc/90/51/81/891905181.db2.gz OIKABPIUIBOGSB-BXUZGUMPSA-N 2 0 269.389 -0.005 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)NCCOCC[NH+](C)C)CCOCC1 ZINC001357536528 891909540 /nfs/dbraw/zinc/90/95/40/891909540.db2.gz RWFJJWRABCPNMU-GFCCVEGCSA-N 2 0 287.404 -0.175 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)NCCOCC[NH+](C)C)CCOCC1 ZINC001357536531 891910350 /nfs/dbraw/zinc/91/03/50/891910350.db2.gz RWFJJWRABCPNMU-LBPRGKRZSA-N 2 0 287.404 -0.175 20 0 CBADRP C[NH2+]CCN(C(=O)NC[C@@H]1COCC[NH2+]1)C(C)C ZINC001357519442 891911152 /nfs/dbraw/zinc/91/11/52/891911152.db2.gz UYVCLKCALISMJM-LLVKDONJSA-N 2 0 258.366 -0.386 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC001357572924 891914773 /nfs/dbraw/zinc/91/47/73/891914773.db2.gz MPGZPLMCTIIQLZ-CMPLNLGQSA-N 2 0 257.378 -0.245 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC001357572929 891915033 /nfs/dbraw/zinc/91/50/33/891915033.db2.gz MPGZPLMCTIIQLZ-ZYHUDNBSSA-N 2 0 257.378 -0.245 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)C[C@@H](O)C[NH2+]1 ZINC001357662014 891928073 /nfs/dbraw/zinc/92/80/73/891928073.db2.gz YFRCDYKRNFWDMO-NQBHXWOUSA-N 2 0 267.373 -0.110 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)NCCCN2CC[NH2+]CC2)C1 ZINC001357668117 891928256 /nfs/dbraw/zinc/92/82/56/891928256.db2.gz KFJGEMDNQITCBD-HAQNSBGRSA-N 2 0 269.393 -0.682 20 0 CBADRP [NH3+]CCNCC(=O)NCc1ccc(C[NH3+])cc1F ZINC001357801629 891936304 /nfs/dbraw/zinc/93/63/04/891936304.db2.gz LFFMQCWJTUYLOE-UHFFFAOYSA-N 2 0 254.309 -0.551 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCC1(C[NH3+])CC1 ZINC001357802259 891936463 /nfs/dbraw/zinc/93/64/63/891936463.db2.gz ZHVJIVAIYLLONO-RYUDHWBXSA-N 2 0 266.389 -0.380 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001357844155 891940656 /nfs/dbraw/zinc/94/06/56/891940656.db2.gz PWIMCOPQTKECAD-WDEREUQCSA-N 2 0 269.345 -0.998 20 0 CBADRP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001357846991 891940887 /nfs/dbraw/zinc/94/08/87/891940887.db2.gz PRBQKZWQDKKLFD-VHSXEESVSA-N 2 0 255.362 -0.003 20 0 CBADRP C[NH2+]CCOc1ccccc1C(=O)NC[C@@H](O)C[NH3+] ZINC001357861469 891941079 /nfs/dbraw/zinc/94/10/79/891941079.db2.gz PGTVSKYOCABOFE-JTQLQIEISA-N 2 0 267.329 -0.666 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001357844147 891941465 /nfs/dbraw/zinc/94/14/65/891941465.db2.gz PWIMCOPQTKECAD-QWRGUYRKSA-N 2 0 269.345 -0.998 20 0 CBADRP [NH3+][C@H](C(=O)N[C@H]1COC2(C[NH2+]C2)C1)c1ccccc1 ZINC001357843227 891941651 /nfs/dbraw/zinc/94/16/51/891941651.db2.gz IXWRLLCDYKFROV-NEPJUHHUSA-N 2 0 261.325 -0.067 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC001357908933 891944452 /nfs/dbraw/zinc/94/44/52/891944452.db2.gz AOZFNSOHIFWWJE-SLEUVZQESA-N 2 0 294.399 -0.477 20 0 CBADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001357946124 891948018 /nfs/dbraw/zinc/94/80/18/891948018.db2.gz UMUOUXZRPONNRG-WDEREUQCSA-N 2 0 257.378 -0.067 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccccc1CC[NH3+] ZINC001357966044 891951774 /nfs/dbraw/zinc/95/17/74/891951774.db2.gz BUNOTIWZZNEQLF-GFCCVEGCSA-N 2 0 265.357 -0.160 20 0 CBADRP [NH3+][C@@H]1CCCn2nc(C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc21 ZINC001357969744 891953323 /nfs/dbraw/zinc/95/33/23/891953323.db2.gz OBIFRJMJUVNXID-LPEHRKFASA-N 2 0 261.329 -0.137 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NC1(C[NH3+])CCCCC1 ZINC001357981437 891954131 /nfs/dbraw/zinc/95/41/31/891954131.db2.gz QGXWRRXVVUXLEA-NSHDSACASA-N 2 0 254.378 -0.332 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[NH2+]CCC12CCC2 ZINC001357967649 891954157 /nfs/dbraw/zinc/95/41/57/891954157.db2.gz ZIYCFDFOEVFURU-VXGBXAGGSA-N 2 0 269.389 -0.195 20 0 CBADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CNCC[NH3+])C1 ZINC001357994424 891954540 /nfs/dbraw/zinc/95/45/40/891954540.db2.gz YUCLNVBRMMKDSU-ZDUSSCGKSA-N 2 0 256.394 -0.242 20 0 CBADRP [NH3+][C@H]1CC[C@H](NC(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001358004833 891956491 /nfs/dbraw/zinc/95/64/91/891956491.db2.gz RCUZVSHLYBSXGE-GVXVVHGQSA-N 2 0 255.362 -0.123 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[NH2+]C[C@@H]1CO ZINC001358026576 891956813 /nfs/dbraw/zinc/95/68/13/891956813.db2.gz HINGRGMWEXUAHQ-IJLUTSLNSA-N 2 0 255.362 -0.348 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001358001531 891957214 /nfs/dbraw/zinc/95/72/14/891957214.db2.gz QEYFFSLXWSDNBP-OUAUKWLOSA-N 2 0 269.345 -0.380 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCCC[C@@H]1C[NH2+]C ZINC001358046254 891961948 /nfs/dbraw/zinc/96/19/48/891961948.db2.gz ZTQQTYOYRZWAMJ-TUAOUCFPSA-N 2 0 257.378 -0.197 20 0 CBADRP COCC[NH2+]CC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001358082670 891967498 /nfs/dbraw/zinc/96/74/98/891967498.db2.gz VTEWQHGLOBZHJJ-GFCCVEGCSA-N 2 0 285.388 -0.503 20 0 CBADRP C[NH2+]CCC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001358079014 891969200 /nfs/dbraw/zinc/96/92/00/891969200.db2.gz DXMXKMPOUURQJN-LLVKDONJSA-N 2 0 255.362 -0.129 20 0 CBADRP CN(C)c1cc[nH+]c(CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])c1 ZINC001358110746 891972383 /nfs/dbraw/zinc/97/23/83/891972383.db2.gz WLZYSCSXIVLWQD-NWDGAFQWSA-N 2 0 264.329 -0.120 20 0 CBADRP C[C@@H]1[C@H](NC(=O)CO[C@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC001358187265 891980030 /nfs/dbraw/zinc/98/00/30/891980030.db2.gz VXBNCOSVLIAKCP-GRYCIOLGSA-N 2 0 255.362 -0.036 20 0 CBADRP O=C([C@H]1CC[NH2+]1)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001358178032 891980447 /nfs/dbraw/zinc/98/04/47/891980447.db2.gz VQZXOAMQBRCBLZ-MFKMUULPSA-N 2 0 261.329 -0.655 20 0 CBADRP [NH3+]C[C@@H](C(=O)N1CCNCC[NH2+]CC1)c1ccc(F)cc1 ZINC001358240886 891987756 /nfs/dbraw/zinc/98/77/56/891987756.db2.gz ZIUZLDBZYFCXDL-CQSZACIVSA-N 2 0 294.374 -0.111 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC001358322246 891993992 /nfs/dbraw/zinc/99/39/92/891993992.db2.gz DEYYBVGGCLFPNE-MPPDQPJWSA-N 2 0 255.362 -0.003 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC001358322245 891994126 /nfs/dbraw/zinc/99/41/26/891994126.db2.gz DEYYBVGGCLFPNE-LSCVPOLPSA-N 2 0 255.362 -0.003 20 0 CBADRP CN1CCN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)CC[N@H+](C)CC1 ZINC001358443728 892003735 /nfs/dbraw/zinc/00/37/35/892003735.db2.gz BPDKOGXJHDUMQT-ZFWWWQNUSA-N 2 0 280.416 -0.308 20 0 CBADRP COC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[NH2+]CC1 ZINC001358462314 892008166 /nfs/dbraw/zinc/00/81/66/892008166.db2.gz AAHWIYQPTKKGJS-HBNTYKKESA-N 2 0 253.346 -0.236 20 0 CBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001358462419 892009873 /nfs/dbraw/zinc/00/98/73/892009873.db2.gz AXNWJGQQPKMOPX-DIACKHNESA-N 2 0 265.357 -0.378 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC001358504966 892014406 /nfs/dbraw/zinc/01/44/06/892014406.db2.gz BLKAQIANCRBSEJ-NQBHXWOUSA-N 2 0 252.362 -0.770 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)[C@@H]2CCC[C@H]2O)C1 ZINC001362164970 892476697 /nfs/dbraw/zinc/47/66/97/892476697.db2.gz JSLXXIFWNRTVMQ-MGPQQGTHSA-N 2 0 299.415 -0.332 20 0 CBADRP CCN1CC[C@H]1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC001450605689 913720362 /nfs/dbraw/zinc/72/03/62/913720362.db2.gz RDCDDJCLRZBVNC-RYUDHWBXSA-N 2 0 255.362 -0.347 20 0 CBADRP C[NH+](C)CCC(=O)N1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001450622277 913721475 /nfs/dbraw/zinc/72/14/75/913721475.db2.gz FRAPCQUWVCISDV-UHFFFAOYSA-N 2 0 296.415 -0.392 20 0 CBADRP C[C@H](CC(N)=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001362779919 893021278 /nfs/dbraw/zinc/02/12/78/893021278.db2.gz FHPFRISQMQXJGH-JHJVBQTASA-N 2 0 298.431 -0.304 20 0 CBADRP Cn1nnc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC001362781570 893027346 /nfs/dbraw/zinc/02/73/46/893027346.db2.gz KSFZDNYDILKESI-GHMZBOCLSA-N 2 0 295.391 -0.979 20 0 CBADRP C[N@H+](CC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21)[C@@H]1CCC[C@H]1O ZINC001362913931 893164895 /nfs/dbraw/zinc/16/48/95/893164895.db2.gz AZYHLAWAVGGASO-YIYPIFLZSA-N 2 0 281.400 -0.006 20 0 CBADRP CN1CC[NH+](CC2CN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001362926948 893177879 /nfs/dbraw/zinc/17/78/79/893177879.db2.gz RTTDMKDHGHLTOQ-UHFFFAOYSA-N 2 0 292.427 -0.212 20 0 CBADRP O=C(CC[N@@H+]1CC[C@@H](F)C1)N[C@@H](CO)C[NH+]1CCCC1 ZINC001362963577 893207906 /nfs/dbraw/zinc/20/79/06/893207906.db2.gz UGIQTGSBLPGUAN-CHWSQXEVSA-N 2 0 287.379 -0.007 20 0 CBADRP O[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CC1(O)CCOCC1 ZINC001363200367 893449815 /nfs/dbraw/zinc/44/98/15/893449815.db2.gz PZVTYCQWDHCNQQ-FRRDWIJNSA-N 2 0 270.373 -0.570 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001363489952 893731250 /nfs/dbraw/zinc/73/12/50/893731250.db2.gz KVUISDMNDXHYSN-DZGCQCFKSA-N 2 0 297.399 -0.579 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001363686880 893913247 /nfs/dbraw/zinc/91/32/47/893913247.db2.gz YOWSOIWPNFQUFV-MPKXVKKWSA-N 2 0 283.372 -0.969 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001363686887 893915131 /nfs/dbraw/zinc/91/51/31/893915131.db2.gz YOWSOIWPNFQUFV-QKCSRTOESA-N 2 0 283.372 -0.969 20 0 CBADRP COCCN(CC1CC[NH+](C)CC1)c1nc(N)[nH+]c(N)n1 ZINC001363745481 893958588 /nfs/dbraw/zinc/95/85/88/893958588.db2.gz QKMMIDXZXUVSDT-UHFFFAOYSA-N 2 0 295.391 -0.169 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC001363786048 893989450 /nfs/dbraw/zinc/98/94/50/893989450.db2.gz ONHDFOFEKCQGRI-VIFPVBQESA-N 2 0 291.359 -0.617 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001365121586 894767919 /nfs/dbraw/zinc/76/79/19/894767919.db2.gz LXMIMFNODUEYAH-GUTXKFCHSA-N 2 0 281.400 -0.101 20 0 CBADRP CN(CCC[N@H+](C)C[C@@H](O)C(C)(C)O)CC[NH+](C)C ZINC001365305413 894885839 /nfs/dbraw/zinc/88/58/39/894885839.db2.gz VJFYUZIPCWNPJS-CYBMUJFWSA-N 2 0 275.437 -0.067 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001365827329 895128687 /nfs/dbraw/zinc/12/86/87/895128687.db2.gz SRNWWFQWDRVPFT-FRRDWIJNSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001365839587 895131214 /nfs/dbraw/zinc/13/12/14/895131214.db2.gz QLKAHBKOODVYAI-AULYBMBSSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC001365833528 895131884 /nfs/dbraw/zinc/13/18/84/895131884.db2.gz ITPHIHPJOXGWTJ-IJLUTSLNSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H](O)C[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001365952988 895148938 /nfs/dbraw/zinc/14/89/38/895148938.db2.gz AULPNJNRJZYGRE-KGLIPLIRSA-N 2 0 298.431 -0.805 20 0 CBADRP C[C@@H](O)C[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001365952993 895150204 /nfs/dbraw/zinc/15/02/04/895150204.db2.gz AULPNJNRJZYGRE-ZIAGYGMSSA-N 2 0 298.431 -0.805 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001365993193 895166690 /nfs/dbraw/zinc/16/66/90/895166690.db2.gz VHADYKGRERDCDJ-NWDGAFQWSA-N 2 0 275.368 -0.151 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CC(N)=O)CC2)[NH+](C)C ZINC001366018770 895174062 /nfs/dbraw/zinc/17/40/62/895174062.db2.gz OYSINSVLJRQBHK-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1CC12CC[NH+](CC(N)=O)CC2)[NH+](C)C ZINC001366018780 895175529 /nfs/dbraw/zinc/17/55/29/895175529.db2.gz OYSINSVLJRQBHK-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001366073000 895181585 /nfs/dbraw/zinc/18/15/85/895181585.db2.gz DSVCPHXUJUVEJL-QWHCGFSZSA-N 2 0 296.415 -0.406 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001366103528 895190572 /nfs/dbraw/zinc/19/05/72/895190572.db2.gz ISGQVJBKYGKZDB-QWHCGFSZSA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001366103083 895191217 /nfs/dbraw/zinc/19/12/17/895191217.db2.gz DXIKFKOLAXQVIB-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(=O)N(C)C ZINC001366103621 895191742 /nfs/dbraw/zinc/19/17/42/895191742.db2.gz SBONFGBMVHZUER-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001366125466 895200506 /nfs/dbraw/zinc/20/05/06/895200506.db2.gz UCXUXUHMRBDHOY-FDYHWXHSSA-N 2 0 296.415 -0.302 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001366131062 895201384 /nfs/dbraw/zinc/20/13/84/895201384.db2.gz GCRDZPKAOJQRLE-AAVRWANBSA-N 2 0 299.415 -0.428 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001366154616 895207923 /nfs/dbraw/zinc/20/79/23/895207923.db2.gz HZDHISNLIXYYOW-GRYCIOLGSA-N 2 0 282.388 -0.547 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001366150218 895208318 /nfs/dbraw/zinc/20/83/18/895208318.db2.gz OAXYCLDNOLXVNI-TXEJJXNPSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001366148495 895208646 /nfs/dbraw/zinc/20/86/46/895208646.db2.gz USFUOLQJCQNJCV-TUAOUCFPSA-N 2 0 275.368 -0.105 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001366154180 895209853 /nfs/dbraw/zinc/20/98/53/895209853.db2.gz HRHBEGOPHODQAL-ZDEQEGDKSA-N 2 0 296.415 -0.301 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001366147574 895210444 /nfs/dbraw/zinc/21/04/44/895210444.db2.gz FNCOZKHPFBLCKE-MBNYWOFBSA-N 2 0 299.415 -0.285 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC001366173932 895211511 /nfs/dbraw/zinc/21/15/11/895211511.db2.gz WEXFDXUZHLWAST-WYUUTHIRSA-N 2 0 284.404 -0.317 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001366165335 895212405 /nfs/dbraw/zinc/21/24/05/895212405.db2.gz NSQPVGBBYIEMFO-UPJWGTAASA-N 2 0 296.415 -0.301 20 0 CBADRP C[NH+](C)C1(C(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)CCC1 ZINC001366187027 895218710 /nfs/dbraw/zinc/21/87/10/895218710.db2.gz ANMDRMQHSDBSTN-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)NCc1ncnn1C ZINC001366321502 895277715 /nfs/dbraw/zinc/27/77/15/895277715.db2.gz ZPZWYEDQSYZWTP-RYUDHWBXSA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001366334103 895280358 /nfs/dbraw/zinc/28/03/58/895280358.db2.gz LMZNPQONFNGCJB-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001366388296 895304658 /nfs/dbraw/zinc/30/46/58/895304658.db2.gz AEBWJDDEJQNQLX-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001366388226 895304893 /nfs/dbraw/zinc/30/48/93/895304893.db2.gz PNHVJEXZWOCYCU-QWHCGFSZSA-N 2 0 297.399 -0.720 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC)C1 ZINC001366388276 895305629 /nfs/dbraw/zinc/30/56/29/895305629.db2.gz ABFFWKQNXKFANK-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001366385898 895305931 /nfs/dbraw/zinc/30/59/31/895305931.db2.gz NQQGZROIZYNOBJ-LBPRGKRZSA-N 2 0 282.388 -0.735 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001366387072 895306895 /nfs/dbraw/zinc/30/68/95/895306895.db2.gz DLQDMYADVOPOAN-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001366411626 895313642 /nfs/dbraw/zinc/31/36/42/895313642.db2.gz MHLNQLZIFMOLIP-VXGBXAGGSA-N 2 0 282.388 -0.748 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001366400441 895314326 /nfs/dbraw/zinc/31/43/26/895314326.db2.gz JXDUICOXDYCPER-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC)[NH+](C)C ZINC001366508733 895341570 /nfs/dbraw/zinc/34/15/70/895341570.db2.gz LHMQJEDSWZKXQC-GHMZBOCLSA-N 2 0 272.393 -0.443 20 0 CBADRP CC(C)[C@H](C(=O)NCC[N@H+](C)CCn1cncn1)[NH+](C)C ZINC001366583180 895397276 /nfs/dbraw/zinc/39/72/76/895397276.db2.gz BYBIVEQAKPUSPV-CYBMUJFWSA-N 2 0 296.419 -0.088 20 0 CBADRP O=C(NCC[N@@H+](CCO)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001366746953 895448169 /nfs/dbraw/zinc/44/81/69/895448169.db2.gz SPPCLWNKIGJKIJ-AWEZNQCLSA-N 2 0 281.400 -0.099 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C)C1=O ZINC001366775062 895456300 /nfs/dbraw/zinc/45/63/00/895456300.db2.gz MACVSHZZPUGRKW-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001366779044 895460990 /nfs/dbraw/zinc/46/09/90/895460990.db2.gz QRVVWMXKYCZMMJ-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP CC(C)[C@H](C(=O)N(C)CC[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C ZINC001366779465 895461818 /nfs/dbraw/zinc/46/18/18/895461818.db2.gz XIEOEQBUFGHXKP-QWHCGFSZSA-N 2 0 298.431 -0.149 20 0 CBADRP COC[C@H](O)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001366974287 895513139 /nfs/dbraw/zinc/51/31/39/895513139.db2.gz QEMGQOVYAVUXKC-ZIAGYGMSSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H](O)C[NH+]1CC(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001366987544 895517634 /nfs/dbraw/zinc/51/76/34/895517634.db2.gz DSEMHDNNUWTOJM-STQMWFEESA-N 2 0 299.415 -0.617 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001367015378 895530940 /nfs/dbraw/zinc/53/09/40/895530940.db2.gz BRODZRFFZHFDGE-IHRRRGAJSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)NC ZINC001367106305 895565497 /nfs/dbraw/zinc/56/54/97/895565497.db2.gz SGOPRTVOIYDJPI-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(N)=O ZINC001367126848 895569221 /nfs/dbraw/zinc/56/92/21/895569221.db2.gz VXCJJHVOFDGTFZ-SNVBAGLBSA-N 2 0 270.377 -0.702 20 0 CBADRP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)N(C)C ZINC001367130576 895570818 /nfs/dbraw/zinc/57/08/18/895570818.db2.gz XECXEXILDGZUOH-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]CC(=O)NC ZINC001367131693 895574467 /nfs/dbraw/zinc/57/44/67/895574467.db2.gz JWIKHZVZAMBRQS-MNOVXSKESA-N 2 0 272.393 -0.443 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001367140986 895575525 /nfs/dbraw/zinc/57/55/25/895575525.db2.gz OMORALKWSHWAAI-NEPJUHHUSA-N 2 0 294.403 -0.249 20 0 CBADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H](C)C(N)=O ZINC001367145311 895576228 /nfs/dbraw/zinc/57/62/28/895576228.db2.gz XTFQOCWERMGKFX-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP CNC(=O)C[NH+]1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001367211279 895581654 /nfs/dbraw/zinc/58/16/54/895581654.db2.gz NLECQNVFERZYSO-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001367243662 895592468 /nfs/dbraw/zinc/59/24/68/895592468.db2.gz RAMGYLZLKCISDF-YPMHNXCESA-N 2 0 296.415 -0.584 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001367281795 895601677 /nfs/dbraw/zinc/60/16/77/895601677.db2.gz AMQIPHLXOGNACZ-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001367276007 895601762 /nfs/dbraw/zinc/60/17/62/895601762.db2.gz ZCELQZYXPMYYCO-RYUDHWBXSA-N 2 0 296.419 -0.003 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001367278395 895603046 /nfs/dbraw/zinc/60/30/46/895603046.db2.gz UXIKINMNWABVNK-WDEREUQCSA-N 2 0 270.377 -0.832 20 0 CBADRP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367409494 895631334 /nfs/dbraw/zinc/63/13/34/895631334.db2.gz CCMQPIAPEGAGRP-VXGBXAGGSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001367416946 895635279 /nfs/dbraw/zinc/63/52/79/895635279.db2.gz SFWKXLXXQARAHM-LLVKDONJSA-N 2 0 272.393 -0.491 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001367440401 895635921 /nfs/dbraw/zinc/63/59/21/895635921.db2.gz GBLPWUDVQFSODC-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001367451825 895639802 /nfs/dbraw/zinc/63/98/02/895639802.db2.gz VIDCVEJIQDESLY-NWDGAFQWSA-N 2 0 284.404 -0.362 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001367492070 895643343 /nfs/dbraw/zinc/64/33/43/895643343.db2.gz LVHVVNQBVFFHNO-CHWSQXEVSA-N 2 0 298.431 -0.195 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001367492090 895643427 /nfs/dbraw/zinc/64/34/27/895643427.db2.gz LVHVVNQBVFFHNO-STQMWFEESA-N 2 0 298.431 -0.195 20 0 CBADRP Cn1ccnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001367588587 895688057 /nfs/dbraw/zinc/68/80/57/895688057.db2.gz XTDNZUVMHHFCRU-NWDGAFQWSA-N 2 0 295.387 -0.919 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCCCO1 ZINC001367601023 895693576 /nfs/dbraw/zinc/69/35/76/895693576.db2.gz LDDBQOKYCNYUFW-CHWSQXEVSA-N 2 0 287.404 -0.426 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCCCO1 ZINC001367601035 895694722 /nfs/dbraw/zinc/69/47/22/895694722.db2.gz LDDBQOKYCNYUFW-STQMWFEESA-N 2 0 287.404 -0.426 20 0 CBADRP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)ncn1 ZINC001367601281 895694806 /nfs/dbraw/zinc/69/48/06/895694806.db2.gz MIFITLWUPDZHOT-CYBMUJFWSA-N 2 0 295.387 -0.697 20 0 CBADRP COC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001367627543 895714711 /nfs/dbraw/zinc/71/47/11/895714711.db2.gz VLKXOEGZYUQOBI-NWDGAFQWSA-N 2 0 285.388 -0.816 20 0 CBADRP C[C@@H](CC[NH2+][C@@H]1CCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001367632339 895715845 /nfs/dbraw/zinc/71/58/45/895715845.db2.gz BERUOJPIYPVDSS-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](CC[NH2+][C@@H]1CCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001367632341 895717336 /nfs/dbraw/zinc/71/73/36/895717336.db2.gz BERUOJPIYPVDSS-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)CCC[NH+](C)C ZINC001367644689 895719960 /nfs/dbraw/zinc/71/99/60/895719960.db2.gz LUISBGFSMBYPMY-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC1CC1)[NH+](C)C ZINC001367674823 895741766 /nfs/dbraw/zinc/74/17/66/895741766.db2.gz FHFWSVWORQFCTJ-RISCZKNCSA-N 2 0 298.431 -0.055 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001367681724 895742996 /nfs/dbraw/zinc/74/29/96/895742996.db2.gz ABBWEILYTCQVNX-RYUDHWBXSA-N 2 0 286.420 -0.116 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001367681458 895745998 /nfs/dbraw/zinc/74/59/98/895745998.db2.gz SBLGDPSDFCSZKQ-ZYHUDNBSSA-N 2 0 282.392 -0.250 20 0 CBADRP CC[C@@H](C(=O)N(CC)CC[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001367690673 895750730 /nfs/dbraw/zinc/75/07/30/895750730.db2.gz OARSQYZLSLJALT-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001367697012 895753134 /nfs/dbraw/zinc/75/31/34/895753134.db2.gz UOZSKJTYTAVAEX-DGCLKSJQSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001367751663 895783181 /nfs/dbraw/zinc/78/31/81/895783181.db2.gz CHXUXUWCGSCLCI-NSHDSACASA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC)[NH+](C)C ZINC001367758594 895793226 /nfs/dbraw/zinc/79/32/26/895793226.db2.gz YGDMAIDXUCTYJL-DCAQKATOSA-N 2 0 272.393 -0.445 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001367765131 895797423 /nfs/dbraw/zinc/79/74/23/895797423.db2.gz MFUDWVFWKLUQGK-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP C[N@H+](CC(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1)CC(C)(C)C ZINC001367900609 895850149 /nfs/dbraw/zinc/85/01/49/895850149.db2.gz LHRTZPMCSJMAFT-GFCCVEGCSA-N 2 0 298.431 -0.066 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001367922316 895852665 /nfs/dbraw/zinc/85/26/65/895852665.db2.gz UIQHARNKNFJUSZ-QWHCGFSZSA-N 2 0 296.415 -0.170 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001367985346 895881137 /nfs/dbraw/zinc/88/11/37/895881137.db2.gz SLPYHRRHUMRGFX-CHWSQXEVSA-N 2 0 297.399 -0.720 20 0 CBADRP C[N@H+](CC(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1)C1CCC1 ZINC001368002251 895887312 /nfs/dbraw/zinc/88/73/12/895887312.db2.gz FVDYWZQPKGWHMP-GFCCVEGCSA-N 2 0 294.399 -0.402 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001368004647 895889733 /nfs/dbraw/zinc/88/97/33/895889733.db2.gz ARRJVZLCVZVUFE-LBPRGKRZSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1)C(N)=O ZINC001368014755 895892970 /nfs/dbraw/zinc/89/29/70/895892970.db2.gz QANVARBVSPEZOS-RYUDHWBXSA-N 2 0 296.415 -0.027 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC1([NH2+]CC(=O)N2CCC2)CC1 ZINC001368035116 895895781 /nfs/dbraw/zinc/89/57/81/895895781.db2.gz QSERGLUSVWZSCE-UHFFFAOYSA-N 2 0 294.399 -0.447 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001368064494 895900384 /nfs/dbraw/zinc/90/03/84/895900384.db2.gz NFFHVBXFUFMKIZ-HNNXBMFYSA-N 2 0 296.415 -0.392 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001368104049 895914282 /nfs/dbraw/zinc/91/42/82/895914282.db2.gz ALPKPXWDOPNHIN-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001368195932 895935081 /nfs/dbraw/zinc/93/50/81/895935081.db2.gz LGUOVZLJMFPFNR-OAHLLOKOSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001368337580 895987221 /nfs/dbraw/zinc/98/72/21/895987221.db2.gz JDOQRCLSMSHDOZ-NEPJUHHUSA-N 2 0 294.399 -0.606 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001368407476 896003263 /nfs/dbraw/zinc/00/32/63/896003263.db2.gz VJXUZOWDQSYVCY-MELADBBJSA-N 2 0 299.415 -0.379 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001368521192 896026652 /nfs/dbraw/zinc/02/66/52/896026652.db2.gz KBIRWIPMIZSFRM-XQHKEYJVSA-N 2 0 296.415 -0.314 20 0 CBADRP C[NH+]1CCC(OCC(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)CC1 ZINC001368604827 896046470 /nfs/dbraw/zinc/04/64/70/896046470.db2.gz ZGPIUNCMOVOMEY-JOCQHMNTSA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1[NH2+]CC(N)=O ZINC001368654810 896054917 /nfs/dbraw/zinc/05/49/17/896054917.db2.gz NQZBWRUPQJRRJC-RYUDHWBXSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1[NH2+]CC(N)=O ZINC001368654079 896055854 /nfs/dbraw/zinc/05/58/54/896055854.db2.gz NQZBWRUPQJRRJC-NEPJUHHUSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001368743719 896070901 /nfs/dbraw/zinc/07/09/01/896070901.db2.gz OJJRTKKHPFPIOX-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1cnnn1C ZINC001368905015 896107362 /nfs/dbraw/zinc/10/73/62/896107362.db2.gz GOWQAUSZEZJPRB-VXGBXAGGSA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)[C@@H]1CCNC1=O ZINC001368971110 896124691 /nfs/dbraw/zinc/12/46/91/896124691.db2.gz CQMPEZUXUWYVNH-WCQYABFASA-N 2 0 296.415 -0.347 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001369177229 896164499 /nfs/dbraw/zinc/16/44/99/896164499.db2.gz DRECABHMZOOHDK-IHRRRGAJSA-N 2 0 299.415 -0.426 20 0 CBADRP CC(C)[C@@H](CCNC(=O)Cn1ccnc1)[NH2+][C@@H](C)C(N)=O ZINC001369198379 896167640 /nfs/dbraw/zinc/16/76/40/896167640.db2.gz JJLXYPBHZPWPML-NWDGAFQWSA-N 2 0 295.387 -0.123 20 0 CBADRP CNC(=O)[C@H](C)[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001369188900 896169288 /nfs/dbraw/zinc/16/92/88/896169288.db2.gz ZPXVCKSANSBTRY-LBPRGKRZSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001369272905 896184923 /nfs/dbraw/zinc/18/49/23/896184923.db2.gz NPYNTYNKKCLPIQ-NSHDSACASA-N 2 0 284.404 -0.489 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001369294974 896189270 /nfs/dbraw/zinc/18/92/70/896189270.db2.gz WCQGSBUULQMFQB-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001369299849 896190526 /nfs/dbraw/zinc/19/05/26/896190526.db2.gz CGZFTDUUBCHLCR-RYUDHWBXSA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001369316643 896206506 /nfs/dbraw/zinc/20/65/06/896206506.db2.gz XMAXKDPVCIERST-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCF ZINC001369331046 896218910 /nfs/dbraw/zinc/21/89/10/896218910.db2.gz DWAYHUUXFSHBEH-NWDGAFQWSA-N 2 0 275.368 -0.105 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCF ZINC001369331043 896219890 /nfs/dbraw/zinc/21/98/90/896219890.db2.gz DWAYHUUXFSHBEH-NEPJUHHUSA-N 2 0 275.368 -0.105 20 0 CBADRP O=C(NC[C@@H](CO)[NH2+]CC1CCC1)C12CC[NH+](CC1)C2 ZINC001369383070 896250128 /nfs/dbraw/zinc/25/01/28/896250128.db2.gz PTUDDZIWHQRMJU-ZDUSSCGKSA-N 2 0 281.400 -0.051 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CCC(F)(F)F)C1 ZINC001369386260 896250956 /nfs/dbraw/zinc/25/09/56/896250956.db2.gz SHCAYRATGBYEQR-VHSXEESVSA-N 2 0 297.321 -0.043 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CCC(F)(F)F)C1 ZINC001369386250 896251142 /nfs/dbraw/zinc/25/11/42/896251142.db2.gz SHCAYRATGBYEQR-NXEZZACHSA-N 2 0 297.321 -0.043 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001369413259 896265883 /nfs/dbraw/zinc/26/58/83/896265883.db2.gz AEEHZSJGXRAJOH-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001369450993 896273221 /nfs/dbraw/zinc/27/32/21/896273221.db2.gz WJOUDVKVMKAEEU-NWDGAFQWSA-N 2 0 282.388 -0.558 20 0 CBADRP CN(C[C@@H](O)C[NH2+]Cc1cccnc1)C(=O)CC[NH+](C)C ZINC001369485763 896292061 /nfs/dbraw/zinc/29/20/61/896292061.db2.gz PNTIZWMQQMQHDC-AWEZNQCLSA-N 2 0 294.399 -0.058 20 0 CBADRP CN(C[C@@H](O)C[N@H+](C)CCCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001369516864 896308126 /nfs/dbraw/zinc/30/81/26/896308126.db2.gz TZOLOEOHCFUXGS-OLZOCXBDSA-N 2 0 287.404 -0.928 20 0 CBADRP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2cnnn2C)C1 ZINC001369574904 896321791 /nfs/dbraw/zinc/32/17/91/896321791.db2.gz SMKJUFDLVDHFPE-UHFFFAOYSA-N 2 0 294.403 -0.154 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)C1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001369624706 896324986 /nfs/dbraw/zinc/32/49/86/896324986.db2.gz UVOKUENSBAOECO-BPCQOVAHSA-N 2 0 296.415 -0.206 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)N(C)C(=O)CC[NH+](C)C ZINC001369841015 896346966 /nfs/dbraw/zinc/34/69/66/896346966.db2.gz REXSPFZARZTEMX-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H]([NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1)C(N)=O ZINC001370212644 896410337 /nfs/dbraw/zinc/41/03/37/896410337.db2.gz JVQGJYZLOYUMFE-MFKMUULPSA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001370230156 896413337 /nfs/dbraw/zinc/41/33/37/896413337.db2.gz VBIZRZXYQYGGKK-PWSUYJOCSA-N 2 0 282.388 -0.702 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001370264882 896413361 /nfs/dbraw/zinc/41/33/61/896413361.db2.gz LAJYCIWFHGCUPA-MNOVXSKESA-N 2 0 270.377 -0.704 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001370630807 896452046 /nfs/dbraw/zinc/45/20/46/896452046.db2.gz KWVTVKHSXNIGSM-AXFHLTTASA-N 2 0 288.367 -0.612 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001370633863 896454707 /nfs/dbraw/zinc/45/47/07/896454707.db2.gz FDIJKYWRHGXWED-XQQFMLRXSA-N 2 0 299.415 -0.285 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001370666653 896470236 /nfs/dbraw/zinc/47/02/36/896470236.db2.gz PHFJBEYVHCXXSZ-GRYCIOLGSA-N 2 0 273.377 -0.818 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001370676727 896476138 /nfs/dbraw/zinc/47/61/38/896476138.db2.gz JQIFXXMFYXUROK-ZDEQEGDKSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001370712592 896486957 /nfs/dbraw/zinc/48/69/57/896486957.db2.gz COKRSGOSKGPGSR-XDQVBPFNSA-N 2 0 299.415 -0.428 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001370830759 896508500 /nfs/dbraw/zinc/50/85/00/896508500.db2.gz IBFVALMNUISCBD-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001370837016 896513226 /nfs/dbraw/zinc/51/32/26/896513226.db2.gz PYDIZKHFUVZTOK-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001370982011 896527982 /nfs/dbraw/zinc/52/79/82/896527982.db2.gz WBLMVOJXBBUIRA-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001371138774 896555578 /nfs/dbraw/zinc/55/55/78/896555578.db2.gz JHMOFLIJBPWGKP-ZYHUDNBSSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)N(C)C ZINC001371320924 896587885 /nfs/dbraw/zinc/58/78/85/896587885.db2.gz PGVBTFOTEAUVMF-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N(C)C ZINC001371308120 896590285 /nfs/dbraw/zinc/59/02/85/896590285.db2.gz FLUJXQXSYVMZHL-WDEREUQCSA-N 2 0 270.377 -0.737 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001371661505 896646475 /nfs/dbraw/zinc/64/64/75/896646475.db2.gz WONUTKZRMHGEQF-NEPJUHHUSA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001371661509 896648141 /nfs/dbraw/zinc/64/81/41/896648141.db2.gz WONUTKZRMHGEQF-RYUDHWBXSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001371736273 896657983 /nfs/dbraw/zinc/65/79/83/896657983.db2.gz UTXRAQQIRGAVBI-DGCLKSJQSA-N 2 0 294.403 -0.106 20 0 CBADRP CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001371765910 896659978 /nfs/dbraw/zinc/65/99/78/896659978.db2.gz AIXYMALRRQDARU-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001371876336 896674908 /nfs/dbraw/zinc/67/49/08/896674908.db2.gz HROISEVUYMYQGM-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP CN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001372547410 896806287 /nfs/dbraw/zinc/80/62/87/896806287.db2.gz DQQPOECFDVMXQR-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001372556453 896809824 /nfs/dbraw/zinc/80/98/24/896809824.db2.gz ZUCFNDKRGNEIAQ-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001372576934 896812395 /nfs/dbraw/zinc/81/23/95/896812395.db2.gz BJKZDXOWZQDJJM-HAQNSBGRSA-N 2 0 284.404 -0.347 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001372614739 896824071 /nfs/dbraw/zinc/82/40/71/896824071.db2.gz UDQXZPPNIQIUNF-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001372674148 896836383 /nfs/dbraw/zinc/83/63/83/896836383.db2.gz ZEMCRKIWDITQSB-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001372945007 896907747 /nfs/dbraw/zinc/90/77/47/896907747.db2.gz JNRCJRRGRMREKP-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001372953833 896913073 /nfs/dbraw/zinc/91/30/73/896913073.db2.gz ZPMOVPBNQRPVLN-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001372994102 896919633 /nfs/dbraw/zinc/91/96/33/896919633.db2.gz TZIFJPQVVIJQKX-NEPJUHHUSA-N 2 0 284.404 -0.537 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001373034137 896927894 /nfs/dbraw/zinc/92/78/94/896927894.db2.gz PMWSYBVYKMWGTO-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001373366830 896987696 /nfs/dbraw/zinc/98/76/96/896987696.db2.gz QHJAMQDUKCKDSJ-IHRRRGAJSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@@H](O)C[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001373528934 897041238 /nfs/dbraw/zinc/04/12/38/897041238.db2.gz DHRRLIAMUDUXTE-AWEZNQCLSA-N 2 0 299.415 -0.617 20 0 CBADRP CCN(C(=O)CCC[NH+](C)C)[C@H]1CCN(CC(N)=O)C1 ZINC001373709529 897101204 /nfs/dbraw/zinc/10/12/04/897101204.db2.gz SWEVBUIJBFJZGF-LBPRGKRZSA-N 2 0 284.404 -0.264 20 0 CBADRP C[C@H]([NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCCC1)C(N)=O ZINC001373842448 897129773 /nfs/dbraw/zinc/12/97/73/897129773.db2.gz LILPNNSILHPXKS-NWDGAFQWSA-N 2 0 296.415 -0.027 20 0 CBADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCNC1=O ZINC001373825790 897131880 /nfs/dbraw/zinc/13/18/80/897131880.db2.gz PXKDWDRULUSTGR-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@](C)(C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001373887886 897134022 /nfs/dbraw/zinc/13/40/22/897134022.db2.gz DENWAGZMDBGLFW-DOMZBBRYSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1nncn1C)[NH+](C)C ZINC001374099145 897171282 /nfs/dbraw/zinc/17/12/82/897171282.db2.gz QYVQIIIYCWQHSD-NWDGAFQWSA-N 2 0 296.419 -0.003 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001374210056 897189464 /nfs/dbraw/zinc/18/94/64/897189464.db2.gz YPLTVHHVWCUKRA-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001374210052 897190633 /nfs/dbraw/zinc/19/06/33/897190633.db2.gz YPLTVHHVWCUKRA-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001374271409 897202613 /nfs/dbraw/zinc/20/26/13/897202613.db2.gz NBWRIZAGAHNSJW-JHJVBQTASA-N 2 0 287.404 -0.476 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)N(C)C(=O)CC[NH+](C)C ZINC001374275822 897203222 /nfs/dbraw/zinc/20/32/22/897203222.db2.gz KHAREXJDXMAQGX-NWDGAFQWSA-N 2 0 284.404 -0.395 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)CC[NH+](C)C ZINC001374279047 897203943 /nfs/dbraw/zinc/20/39/43/897203943.db2.gz WVYMVSZWBYIXMT-WDEREUQCSA-N 2 0 270.377 -0.737 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374310941 897209056 /nfs/dbraw/zinc/20/90/56/897209056.db2.gz FRHJHJNUCNMNIJ-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001374312103 897209753 /nfs/dbraw/zinc/20/97/53/897209753.db2.gz KLNKRKVKEOWYBY-VXGBXAGGSA-N 2 0 294.399 -0.593 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001374326838 897210016 /nfs/dbraw/zinc/21/00/16/897210016.db2.gz OUYTUZHBDWEUHS-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374312903 897210281 /nfs/dbraw/zinc/21/02/81/897210281.db2.gz MTEXBRJSQIPIIK-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001374326834 897210344 /nfs/dbraw/zinc/21/03/44/897210344.db2.gz OUYTUZHBDWEUHS-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374312900 897211951 /nfs/dbraw/zinc/21/19/51/897211951.db2.gz MTEXBRJSQIPIIK-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374310949 897212016 /nfs/dbraw/zinc/21/20/16/897212016.db2.gz FRHJHJNUCNMNIJ-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001374326831 897212266 /nfs/dbraw/zinc/21/22/66/897212266.db2.gz OUYTUZHBDWEUHS-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCCNC1=O)N(C)C(=O)C[NH+]1CCCC1 ZINC001374323390 897212599 /nfs/dbraw/zinc/21/25/99/897212599.db2.gz BOSJHWCVBWLYCM-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001374319692 897213228 /nfs/dbraw/zinc/21/32/28/897213228.db2.gz IHEZNBWCSKQZEH-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP CC[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)NC)C(C)C)[NH+](C)C ZINC001374446218 897229751 /nfs/dbraw/zinc/22/97/51/897229751.db2.gz ZUFCDNLBXWUQAK-VXGBXAGGSA-N 2 0 286.420 -0.197 20 0 CBADRP CN(CC[N@H+](C)CCn1cncn1)C(=O)Cn1ccnc1 ZINC001374559624 897258764 /nfs/dbraw/zinc/25/87/64/897258764.db2.gz LPILXFXWWJPYHW-UHFFFAOYSA-N 2 0 291.359 -0.435 20 0 CBADRP CN(CCN(C)[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001374556702 897260097 /nfs/dbraw/zinc/26/00/97/897260097.db2.gz RYBVBDCNJPUXBZ-QWHCGFSZSA-N 2 0 296.415 -0.441 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)CC(N)=O ZINC001374557803 897260682 /nfs/dbraw/zinc/26/06/82/897260682.db2.gz QBIKZAAORKZOSL-LBPRGKRZSA-N 2 0 284.404 -0.264 20 0 CBADRP CN(CCN(C)[C@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001374556705 897262682 /nfs/dbraw/zinc/26/26/82/897262682.db2.gz RYBVBDCNJPUXBZ-STQMWFEESA-N 2 0 296.415 -0.441 20 0 CBADRP CN(CCN(C)[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374556700 897263519 /nfs/dbraw/zinc/26/35/19/897263519.db2.gz RYBVBDCNJPUXBZ-OLZOCXBDSA-N 2 0 296.415 -0.441 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cncs1 ZINC001374588963 897286124 /nfs/dbraw/zinc/28/61/24/897286124.db2.gz GRJNMCRRKGTWNT-CMPLNLGQSA-N 2 0 298.412 -0.196 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001374739002 897366737 /nfs/dbraw/zinc/36/67/37/897366737.db2.gz UDHIZCWVAHASRD-UTUOFQBUSA-N 2 0 273.377 -0.818 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001374774190 897382366 /nfs/dbraw/zinc/38/23/66/897382366.db2.gz DOODHAQYSLWDPH-FRRDWIJNSA-N 2 0 287.404 -0.428 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374811841 897400853 /nfs/dbraw/zinc/40/08/53/897400853.db2.gz YYUXKXNTISXRDE-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001374827458 897403686 /nfs/dbraw/zinc/40/36/86/897403686.db2.gz IROGMQUWZCHFGS-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001374833139 897406839 /nfs/dbraw/zinc/40/68/39/897406839.db2.gz CETNONCZYPRJCH-VXGBXAGGSA-N 2 0 285.388 -0.816 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)C[N@H+](C)C1CCC1 ZINC001374897756 897427455 /nfs/dbraw/zinc/42/74/55/897427455.db2.gz FNZAXXYZHGPNFS-NSHDSACASA-N 2 0 294.403 -0.106 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001374921757 897435575 /nfs/dbraw/zinc/43/55/75/897435575.db2.gz IFXDJXBHUYYLNR-GARJFASQSA-N 2 0 270.377 -0.691 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001374936486 897438182 /nfs/dbraw/zinc/43/81/82/897438182.db2.gz XOQPWLUPQLWNAM-TUAOUCFPSA-N 2 0 284.404 -0.348 20 0 CBADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001374940495 897440305 /nfs/dbraw/zinc/44/03/05/897440305.db2.gz PSAKELIGSRZWLP-NWDGAFQWSA-N 2 0 284.404 -0.171 20 0 CBADRP CCn1nncc1C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001374978387 897447209 /nfs/dbraw/zinc/44/72/09/897447209.db2.gz XUXSLKDCPLIMMT-LBPRGKRZSA-N 2 0 294.403 -0.012 20 0 CBADRP CC[C@H](C(=O)N[C@H](C[NH2+]CC(=O)NC)C1CC1)[NH+](C)C ZINC001375275439 897506297 /nfs/dbraw/zinc/50/62/97/897506297.db2.gz YLDQEBBWRKFQQH-VXGBXAGGSA-N 2 0 284.404 -0.443 20 0 CBADRP CC[C@@H](C(=O)NCC1([NH2+][C@@H]2CCCNC2=O)CC1)[NH+](C)C ZINC001375489568 897552179 /nfs/dbraw/zinc/55/21/79/897552179.db2.gz FRNRBYSDJAOPIO-NEPJUHHUSA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC001375500565 897556318 /nfs/dbraw/zinc/55/63/18/897556318.db2.gz PFWQGUXEDXUFRW-NDBYEHHHSA-N 2 0 298.431 -0.069 20 0 CBADRP CC[C@@H]([NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001375524113 897559159 /nfs/dbraw/zinc/55/91/59/897559159.db2.gz ZVDYQDKZVXRGFZ-VXGBXAGGSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@H]([NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001375524099 897559222 /nfs/dbraw/zinc/55/92/22/897559222.db2.gz ZVDYQDKZVXRGFZ-NEPJUHHUSA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+][C@@H]3CCCNC3=O)CC2)C1 ZINC001375546843 897562875 /nfs/dbraw/zinc/56/28/75/897562875.db2.gz ZLSWQZWHCPBKIV-VXGBXAGGSA-N 2 0 294.399 -0.545 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001375552675 897567596 /nfs/dbraw/zinc/56/75/96/897567596.db2.gz ZIPXCGBXTMSNDK-DCAQKATOSA-N 2 0 270.377 -0.704 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@]2(CC[NH+](CC(N)=O)C2)C1 ZINC001375645256 897580965 /nfs/dbraw/zinc/58/09/65/897580965.db2.gz RJCUVZUVPVQEOG-OAHLLOKOSA-N 2 0 296.415 -0.262 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001375760456 897601908 /nfs/dbraw/zinc/60/19/08/897601908.db2.gz DTRHCOXIYKETCZ-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001375767725 897606113 /nfs/dbraw/zinc/60/61/13/897606113.db2.gz HVQXQXMRGDCNDO-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001375892102 897618777 /nfs/dbraw/zinc/61/87/77/897618777.db2.gz BJXIJLNUQPWFFB-HNNXBMFYSA-N 2 0 298.431 -0.099 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001376156793 897674683 /nfs/dbraw/zinc/67/46/83/897674683.db2.gz MNWREPYLDUFFCW-STQMWFEESA-N 2 0 287.404 -0.476 20 0 CBADRP CC(C)CNC(=O)CN1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001376154535 897676480 /nfs/dbraw/zinc/67/64/80/897676480.db2.gz QVKJHRSXJYKCAO-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP CCCNC(=O)CN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001376155949 897676655 /nfs/dbraw/zinc/67/66/55/897676655.db2.gz QYJDJZDGGFNXLU-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1CCN(CC(=O)NC2CC2)C1 ZINC001376152901 897677109 /nfs/dbraw/zinc/67/71/09/897677109.db2.gz OVQGRCQJRPXVHQ-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001376204766 897685838 /nfs/dbraw/zinc/68/58/38/897685838.db2.gz ZBTCUYZAIUOSIC-VXGBXAGGSA-N 2 0 282.388 -0.689 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001376204758 897687432 /nfs/dbraw/zinc/68/74/32/897687432.db2.gz ZBTCUYZAIUOSIC-NWDGAFQWSA-N 2 0 282.388 -0.689 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001376279071 897700630 /nfs/dbraw/zinc/70/06/30/897700630.db2.gz HDFZEPWFGJHHAR-QWHCGFSZSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC)C1)[NH+](C)C ZINC001376332395 897714422 /nfs/dbraw/zinc/71/44/22/897714422.db2.gz RQGIZGPYLNETLX-SDDRHHMPSA-N 2 0 284.404 -0.348 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001376340452 897714451 /nfs/dbraw/zinc/71/44/51/897714451.db2.gz KNNDLJKFUBMXCX-GXTWGEPZSA-N 2 0 298.431 -0.101 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001376371806 897719881 /nfs/dbraw/zinc/71/98/81/897719881.db2.gz CFITZYRGJAGQBV-JHJVBQTASA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1C[C@@H]([NH2+][C@@H](CC)C(N)=O)C1)[NH+](C)C ZINC001376377951 897722255 /nfs/dbraw/zinc/72/22/55/897722255.db2.gz UCXUJWTZTUTZPV-FIQHERPVSA-N 2 0 284.404 -0.173 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001376390222 897723423 /nfs/dbraw/zinc/72/34/23/897723423.db2.gz IRKIKFKJGDDFEK-SRVKXCTJSA-N 2 0 284.404 -0.171 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001376466394 897746947 /nfs/dbraw/zinc/74/69/47/897746947.db2.gz VXERAIDCZJYJCU-TXEJJXNPSA-N 2 0 293.371 -0.285 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001376487758 897757124 /nfs/dbraw/zinc/75/71/24/897757124.db2.gz CSUVULRIBLXLDR-GARJFASQSA-N 2 0 270.377 -0.561 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001376498424 897759047 /nfs/dbraw/zinc/75/90/47/897759047.db2.gz ADOCOCKVPHXMCX-BETUJISGSA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001376495150 897759744 /nfs/dbraw/zinc/75/97/44/897759744.db2.gz RKFGEVLAOZVFJE-GRYCIOLGSA-N 2 0 282.388 -0.547 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001376512601 897762640 /nfs/dbraw/zinc/76/26/40/897762640.db2.gz OBTIGVFHOMMPTD-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001376631324 897787101 /nfs/dbraw/zinc/78/71/01/897787101.db2.gz WCOLXCGPWWEFKR-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001376748358 897831250 /nfs/dbraw/zinc/83/12/50/897831250.db2.gz WCMKMPXZQVQLOE-GFCCVEGCSA-N 2 0 296.415 -0.025 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001376743791 897831712 /nfs/dbraw/zinc/83/17/12/897831712.db2.gz VAMFYPUQXGGUAD-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001376792825 897846216 /nfs/dbraw/zinc/84/62/16/897846216.db2.gz OITWWNDBFUDKRB-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001376803975 897852276 /nfs/dbraw/zinc/85/22/76/897852276.db2.gz SYJKVWLMCYTLTO-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001376804584 897852506 /nfs/dbraw/zinc/85/25/06/897852506.db2.gz CWJXQSLXQGNHMO-MNOVXSKESA-N 2 0 284.404 -0.301 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001376805989 897854497 /nfs/dbraw/zinc/85/44/97/897854497.db2.gz FNKWYBXPTXJMMA-NSHDSACASA-N 2 0 284.404 -0.441 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCO[C@H](C[NH2+]C[C@H](C)O)C1 ZINC001376839731 897865794 /nfs/dbraw/zinc/86/57/94/897865794.db2.gz ALWWQMNKUGPRRK-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[C@H]([NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001376853904 897872686 /nfs/dbraw/zinc/87/26/86/897872686.db2.gz JKVPNEMTRCBKRR-MNOVXSKESA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NCC1CC1 ZINC001376873415 897876221 /nfs/dbraw/zinc/87/62/21/897876221.db2.gz DVKZQJHCOIZRKK-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC001376871916 897876267 /nfs/dbraw/zinc/87/62/67/897876267.db2.gz ZSKCHWYSKRQDLN-OLZOCXBDSA-N 2 0 287.404 -0.476 20 0 CBADRP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001376882184 897879522 /nfs/dbraw/zinc/87/95/22/897879522.db2.gz NOCJYDKIOHDYDD-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001376885401 897880262 /nfs/dbraw/zinc/88/02/62/897880262.db2.gz RXIHGMRYZHWODE-MNOVXSKESA-N 2 0 280.376 -0.639 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC1CC1 ZINC001376880100 897880930 /nfs/dbraw/zinc/88/09/30/897880930.db2.gz KOPZIWPFUIAQOP-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001376941546 897897799 /nfs/dbraw/zinc/89/77/99/897897799.db2.gz WGGBLXXXPYGSAL-JHJVBQTASA-N 2 0 298.431 -0.019 20 0 CBADRP CCNC(=O)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001376963499 897899564 /nfs/dbraw/zinc/89/95/64/897899564.db2.gz FQINSVNQEVQAPH-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP Cc1nc[nH]c1CC(=O)NCC[N@@H+](C)CCn1cncn1 ZINC001377251530 897984737 /nfs/dbraw/zinc/98/47/37/897984737.db2.gz WOOFXGHDMMJYKV-UHFFFAOYSA-N 2 0 291.359 -0.400 20 0 CBADRP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)[C@H]1CCNC1=O ZINC001377362367 898026710 /nfs/dbraw/zinc/02/67/10/898026710.db2.gz SGTPJHGQAXRPAQ-LBPRGKRZSA-N 2 0 294.399 -0.591 20 0 CBADRP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001377458080 898055648 /nfs/dbraw/zinc/05/56/48/898055648.db2.gz WUVFNGBUKFPZRH-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP NC(=O)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001377481139 898061352 /nfs/dbraw/zinc/06/13/52/898061352.db2.gz UJKYWGCAWQSIGT-CYBMUJFWSA-N 2 0 296.415 -0.214 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001377511404 898070851 /nfs/dbraw/zinc/07/08/51/898070851.db2.gz FEQKUXAPGXEXLK-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP CCC[N@H+](CCNC(=O)C[NH+]1CCCC1)[C@@H]1CCNC1=O ZINC001377510827 898072753 /nfs/dbraw/zinc/07/27/53/898072753.db2.gz PXBSEGGZZZTQJU-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1(CO)CC[NH+](CCO)CC1 ZINC001377551807 898080861 /nfs/dbraw/zinc/08/08/61/898080861.db2.gz QRWCXFGXWKBBKT-LBPRGKRZSA-N 2 0 285.388 -0.984 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001377574569 898089113 /nfs/dbraw/zinc/08/91/13/898089113.db2.gz CKACOYLQLBDBDH-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+][C@H]2CCNC2=O)C1 ZINC001377589101 898098745 /nfs/dbraw/zinc/09/87/45/898098745.db2.gz HOLKWQXSMCLVJQ-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001377705610 898116755 /nfs/dbraw/zinc/11/67/55/898116755.db2.gz ZJNOXABKAWLGHB-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP NC(=O)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001377720901 898121333 /nfs/dbraw/zinc/12/13/33/898121333.db2.gz NUYYLOCQHBTICL-LBPRGKRZSA-N 2 0 282.388 -0.604 20 0 CBADRP C[NH+](C)CCC(=O)NCC[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001377713429 898121457 /nfs/dbraw/zinc/12/14/57/898121457.db2.gz XTSYKAMZOMGCLL-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001377715525 898121537 /nfs/dbraw/zinc/12/15/37/898121537.db2.gz AIKNBGCCRMWKJN-NWDGAFQWSA-N 2 0 282.388 -0.748 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CC(=O)NC)C1 ZINC001377758140 898129738 /nfs/dbraw/zinc/12/97/38/898129738.db2.gz KAUYMFWLXOBENS-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]CC(N)=O ZINC001377844113 898147013 /nfs/dbraw/zinc/14/70/13/898147013.db2.gz WEYDZVLBPKWWFM-VHSXEESVSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)[NH2+]CC(N)=O ZINC001377864727 898152217 /nfs/dbraw/zinc/15/22/17/898152217.db2.gz HMQWEUNNIMUUHP-VXGBXAGGSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CCC[NH+](C)C ZINC001377952906 898178463 /nfs/dbraw/zinc/17/84/63/898178463.db2.gz JFROTESLBHCSLI-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H](C(=O)NCC1C[NH+](C[C@H](O)COC)C1)[NH+](C)C ZINC001378012255 898197200 /nfs/dbraw/zinc/19/72/00/898197200.db2.gz UVNMHGSLSYLSEQ-STQMWFEESA-N 2 0 287.404 -0.618 20 0 CBADRP CNC(=O)CN(C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001378141049 898249230 /nfs/dbraw/zinc/24/92/30/898249230.db2.gz MLRGISMTCOLUCV-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CC(N)=O)CCCC2)C1 ZINC001378382261 898324834 /nfs/dbraw/zinc/32/48/34/898324834.db2.gz JQXOMMINQDHRFB-LLVKDONJSA-N 2 0 282.388 -0.558 20 0 CBADRP CNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001378429181 898327558 /nfs/dbraw/zinc/32/75/58/898327558.db2.gz IBRNEYHISYDTIA-NHYWBVRUSA-N 2 0 296.415 -0.441 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]CC(N)=O)CCCCC2)C1 ZINC001378417403 898330485 /nfs/dbraw/zinc/33/04/85/898330485.db2.gz PKDKFUVGKGRYCL-LBPRGKRZSA-N 2 0 296.415 -0.168 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001378517019 898339781 /nfs/dbraw/zinc/33/97/81/898339781.db2.gz LPTVIQNMZWCACM-MJBXVCDLSA-N 2 0 299.415 -0.474 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001378548331 898353505 /nfs/dbraw/zinc/35/35/05/898353505.db2.gz DTVYZDWYUABLHE-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001378576700 898358304 /nfs/dbraw/zinc/35/83/04/898358304.db2.gz HAQDNGFHKOWWOK-WCQYABFASA-N 2 0 296.419 -0.003 20 0 CBADRP CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001378576693 898360607 /nfs/dbraw/zinc/36/06/07/898360607.db2.gz HAQDNGFHKOWWOK-DGCLKSJQSA-N 2 0 296.419 -0.003 20 0 CBADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+][C@@H](C)C(N)=O ZINC001378599057 898362542 /nfs/dbraw/zinc/36/25/42/898362542.db2.gz MIQVBHXDFFSBIB-MNOVXSKESA-N 2 0 284.404 -0.456 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001378643185 898378297 /nfs/dbraw/zinc/37/82/97/898378297.db2.gz JXWADJIEOPKLHE-STQMWFEESA-N 2 0 298.431 -0.242 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001378747428 898403418 /nfs/dbraw/zinc/40/34/18/898403418.db2.gz HHZZIICFPPATAN-SYQHCUMBSA-N 2 0 281.400 -0.386 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CCO)C1 ZINC001378765109 898406284 /nfs/dbraw/zinc/40/62/84/898406284.db2.gz QDMOXYKUKIOWQK-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H]([NH2+]CCO)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001378790630 898413055 /nfs/dbraw/zinc/41/30/55/898413055.db2.gz KKPQVJOYSUOAGP-OLZOCXBDSA-N 2 0 285.388 -0.720 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001378821193 898417650 /nfs/dbraw/zinc/41/76/50/898417650.db2.gz ZPRWPAHDHMWPTG-SNVBAGLBSA-N 2 0 270.377 -0.750 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001378844748 898422561 /nfs/dbraw/zinc/42/25/61/898422561.db2.gz QPCBJPUSBJVZGH-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)C[NH+]1CCCC1 ZINC001378854146 898422692 /nfs/dbraw/zinc/42/26/92/898422692.db2.gz QFJLFVREOOIKRH-LBPRGKRZSA-N 2 0 294.403 -0.153 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001378838197 898422792 /nfs/dbraw/zinc/42/27/92/898422792.db2.gz QNMNZJCZUVHYTE-LBPRGKRZSA-N 2 0 284.404 -0.360 20 0 CBADRP Cn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001378854253 898422914 /nfs/dbraw/zinc/42/29/14/898422914.db2.gz WBNOLJRAABPEFP-XYPYZODXSA-N 2 0 295.391 -0.854 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001378844746 898424134 /nfs/dbraw/zinc/42/41/34/898424134.db2.gz QPCBJPUSBJVZGH-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001378841679 898424385 /nfs/dbraw/zinc/42/43/85/898424385.db2.gz QHMJHKSYRRCBGW-FDYHWXHSSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001378867280 898427060 /nfs/dbraw/zinc/42/70/60/898427060.db2.gz FFDIUEYCWZZSFN-JHJVBQTASA-N 2 0 281.400 -0.053 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001378876912 898427476 /nfs/dbraw/zinc/42/74/76/898427476.db2.gz MINPXEJWZNVFGD-SYQHCUMBSA-N 2 0 299.415 -0.570 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001378912744 898431798 /nfs/dbraw/zinc/43/17/98/898431798.db2.gz OWMWGDLGFJLLFA-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)CC(=O)NC)CC1 ZINC001378935911 898433969 /nfs/dbraw/zinc/43/39/69/898433969.db2.gz XFELTHGCGZQJIP-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnns1 ZINC001379188142 898497878 /nfs/dbraw/zinc/49/78/78/898497878.db2.gz LTAZRMPABZGEAU-MWLCHTKSSA-N 2 0 299.400 -0.801 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001379212660 898506813 /nfs/dbraw/zinc/50/68/13/898506813.db2.gz CUVLUOBMUZZWHJ-WCQYABFASA-N 2 0 298.387 -0.110 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)C(N)=O ZINC001379285931 898536754 /nfs/dbraw/zinc/53/67/54/898536754.db2.gz NSXOHESBRNSZGP-WDEREUQCSA-N 2 0 272.393 -0.362 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001379291587 898538598 /nfs/dbraw/zinc/53/85/98/898538598.db2.gz XVHQJYYZAYKDOM-YPMHNXCESA-N 2 0 286.420 -0.245 20 0 CBADRP Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)C[NH+]2CCCC2)o1 ZINC001379289826 898541041 /nfs/dbraw/zinc/54/10/41/898541041.db2.gz PQYGIXSQONEXRH-LBPRGKRZSA-N 2 0 296.371 -0.354 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(N)=O ZINC001379371993 898588415 /nfs/dbraw/zinc/58/84/15/898588415.db2.gz MIRJODGGMWBGGT-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001379384921 898593711 /nfs/dbraw/zinc/59/37/11/898593711.db2.gz YJRBRXCLGAINLB-GHMZBOCLSA-N 2 0 284.404 -0.301 20 0 CBADRP CC[NH2+][C@H](CO)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001379394803 898595556 /nfs/dbraw/zinc/59/55/56/898595556.db2.gz GQIGOHJPMFPTBQ-NSHDSACASA-N 2 0 283.376 -0.855 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001379410975 898604107 /nfs/dbraw/zinc/60/41/07/898604107.db2.gz FSJHHMKTUMLQIM-IJLUTSLNSA-N 2 0 282.388 -0.547 20 0 CBADRP COC[C@@H](C)[NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001379434677 898614873 /nfs/dbraw/zinc/61/48/73/898614873.db2.gz LWOPOBHAXZGPKE-OLZOCXBDSA-N 2 0 299.415 -0.284 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001379454420 898620329 /nfs/dbraw/zinc/62/03/29/898620329.db2.gz XUEXBLWQYSTPLZ-GHMZBOCLSA-N 2 0 282.388 -0.689 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001379454421 898622637 /nfs/dbraw/zinc/62/26/37/898622637.db2.gz XUEXBLWQYSTPLZ-MNOVXSKESA-N 2 0 282.388 -0.689 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001379517819 898650151 /nfs/dbraw/zinc/65/01/51/898650151.db2.gz DOODHAQYSLWDPH-YNEHKIRRSA-N 2 0 287.404 -0.428 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001379531613 898657426 /nfs/dbraw/zinc/65/74/26/898657426.db2.gz WORATRBSRVUCFO-QWHCGFSZSA-N 2 0 285.388 -0.815 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1cncn1C ZINC001379527011 898657816 /nfs/dbraw/zinc/65/78/16/898657816.db2.gz SPSQUBGTZZKZGR-LBPRGKRZSA-N 2 0 297.403 -0.673 20 0 CBADRP CC(C)[NH2+][C@@H](CO)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001379531951 898658193 /nfs/dbraw/zinc/65/81/93/898658193.db2.gz XPDHITATAGOPHE-QWHCGFSZSA-N 2 0 287.404 -0.570 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001379531616 898658316 /nfs/dbraw/zinc/65/83/16/898658316.db2.gz WORATRBSRVUCFO-STQMWFEESA-N 2 0 285.388 -0.815 20 0 CBADRP C[C@@H]1[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)CC[NH+](C)C ZINC001379548015 898666006 /nfs/dbraw/zinc/66/60/06/898666006.db2.gz FEJGQAGBLGLCOA-OLZOCXBDSA-N 2 0 294.403 -0.191 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001379583981 898673913 /nfs/dbraw/zinc/67/39/13/898673913.db2.gz ZZYBDNNGFBNFHK-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP Cc1nccn1CC(=O)N[C@@H](C)CNCc1ncnn1C ZINC001379598205 898676618 /nfs/dbraw/zinc/67/66/18/898676618.db2.gz JNZHNURNKBOGLT-JTQLQIEISA-N 2 0 291.359 -0.385 20 0 CBADRP CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)C[NH+]2CCCC2)C1=O ZINC001379602013 898681512 /nfs/dbraw/zinc/68/15/12/898681512.db2.gz XTHGFIBZVSJSKG-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001380099290 898807484 /nfs/dbraw/zinc/80/74/84/898807484.db2.gz CMFSGFKSAKZFBZ-NSHDSACASA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@H](C(=O)NCC1([NH2+]CC(=O)N(C)C)CC1)[NH+](C)C ZINC001380101442 898812674 /nfs/dbraw/zinc/81/26/74/898812674.db2.gz KOQSDDBBOUAVCI-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001380133065 898817818 /nfs/dbraw/zinc/81/78/18/898817818.db2.gz FLNSQHDWAODMTD-GFCCVEGCSA-N 2 0 284.404 -0.443 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC2(NCc3cnon3)CC2)C1 ZINC001380170289 898825239 /nfs/dbraw/zinc/82/52/39/898825239.db2.gz RAEVHBXKPUUCSS-JTQLQIEISA-N 2 0 279.344 -0.240 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1([NH2+][C@H](C)C(N)=O)CC1 ZINC001380159917 898825829 /nfs/dbraw/zinc/82/58/29/898825829.db2.gz NTLGUWKQWCLERW-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2(NCc3cnon3)CC2)C1 ZINC001380170297 898826323 /nfs/dbraw/zinc/82/63/23/898826323.db2.gz RAEVHBXKPUUCSS-SNVBAGLBSA-N 2 0 279.344 -0.240 20 0 CBADRP CN(C(=O)CCC[NH+](C)C)C1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001380167431 898827443 /nfs/dbraw/zinc/82/74/43/898827443.db2.gz LPYOHESHVKJWLX-BPCQOVAHSA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1(NCc2cnn(C)n2)CC1 ZINC001380173253 898827651 /nfs/dbraw/zinc/82/76/51/898827651.db2.gz WCDXHUXWGRROAH-UHFFFAOYSA-N 2 0 294.403 -0.106 20 0 CBADRP CN1CC[C@@H]([NH2+]C[C@H]2CCCN2C(=O)CC[NH+](C)C)C1=O ZINC001380283123 898852201 /nfs/dbraw/zinc/85/22/01/898852201.db2.gz GDEXBEUTNYMQFP-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001380400843 898872949 /nfs/dbraw/zinc/87/29/49/898872949.db2.gz VATFTWJHVJSKCQ-JMSVASOKSA-N 2 0 296.415 -0.360 20 0 CBADRP CC[C@H](C(=O)NCC1([NH2+]CCO)CCOCC1)[NH+](C)C ZINC001380504520 898879147 /nfs/dbraw/zinc/87/91/47/898879147.db2.gz JKGYBQCXFNMZAZ-GFCCVEGCSA-N 2 0 287.404 -0.426 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001380539432 898895375 /nfs/dbraw/zinc/89/53/75/898895375.db2.gz UMRLWPKGGPRNGG-UKRRQHHQSA-N 2 0 299.415 -0.594 20 0 CBADRP COC[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001380552920 898896514 /nfs/dbraw/zinc/89/65/14/898896514.db2.gz MBUOCANPHHEXSY-GXTWGEPZSA-N 2 0 287.404 -0.474 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@]1(O)CC[N@H+](CCCF)C1 ZINC001380570242 898901980 /nfs/dbraw/zinc/90/19/80/898901980.db2.gz HAIBOXMBBJYQTP-AWEZNQCLSA-N 2 0 287.379 -0.005 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001380799334 898953708 /nfs/dbraw/zinc/95/37/08/898953708.db2.gz NQZBZKATTLAWNI-JOCQHMNTSA-N 2 0 296.415 -0.168 20 0 CBADRP CC[C@@H](C(=O)NCC1([NH2+]CC(=O)NC)CCC1)[NH+](C)C ZINC001380879553 898964479 /nfs/dbraw/zinc/96/44/79/898964479.db2.gz LXFIWAABVOBGIW-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001380897392 898967172 /nfs/dbraw/zinc/96/71/72/898967172.db2.gz NXPFNCGDLLYLNH-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC(=O)NC)CCC1 ZINC001380892063 898967428 /nfs/dbraw/zinc/96/74/28/898967428.db2.gz FHLRMBZKQZHGPN-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001380912026 898969521 /nfs/dbraw/zinc/96/95/21/898969521.db2.gz HNQOSGZMYMKUFX-OCCSQVGLSA-N 2 0 299.415 -0.474 20 0 CBADRP CCC1([NH2+]CC(N)=O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001381020891 898986031 /nfs/dbraw/zinc/98/60/31/898986031.db2.gz GVRXREHAKGLBNX-UHFFFAOYSA-N 2 0 296.415 -0.072 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001381564679 899084786 /nfs/dbraw/zinc/08/47/86/899084786.db2.gz LRLJCCCNDDMQAD-GHMZBOCLSA-N 2 0 272.393 -0.362 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC001381903493 899127480 /nfs/dbraw/zinc/12/74/80/899127480.db2.gz GAWPVGMYNGAOPC-LPWJVIDDSA-N 2 0 294.399 -0.893 20 0 CBADRP C[C@H]([NH2+]CCO)[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001381916359 899131432 /nfs/dbraw/zinc/13/14/32/899131432.db2.gz GNJUSAMBMHWRBA-GXTWGEPZSA-N 2 0 299.415 -0.332 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001381969506 899137338 /nfs/dbraw/zinc/13/73/38/899137338.db2.gz BUVDXFCDAKFQNU-IJLUTSLNSA-N 2 0 282.388 -0.702 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001381975895 899140039 /nfs/dbraw/zinc/14/00/39/899140039.db2.gz ZYQMWZFISGIXBA-ZDEQEGDKSA-N 2 0 298.431 -0.069 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001382028302 899142500 /nfs/dbraw/zinc/14/25/00/899142500.db2.gz CEAREZGIBLXCDA-WCQYABFASA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001382051028 899146431 /nfs/dbraw/zinc/14/64/31/899146431.db2.gz NQYXRBULVJWLNF-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC)CC[N@@H+]1C ZINC001382063975 899148781 /nfs/dbraw/zinc/14/87/81/899148781.db2.gz CRZSPZAAAOXOFJ-RWMBFGLXSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H]1CCCNC1=O ZINC001382112390 899159265 /nfs/dbraw/zinc/15/92/65/899159265.db2.gz LRPBYNSHRJGQSC-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001382142582 899164627 /nfs/dbraw/zinc/16/46/27/899164627.db2.gz OQEQIHUNAYUXOD-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCF)CC[N@@H+]1C ZINC001382239377 899206603 /nfs/dbraw/zinc/20/66/03/899206603.db2.gz VSGWLRDMCRGWGJ-SRVKXCTJSA-N 2 0 275.368 -0.247 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)[C@@H]1C ZINC001382302412 899239901 /nfs/dbraw/zinc/23/99/01/899239901.db2.gz JGGQTCUPHRLBTF-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001382315093 899246292 /nfs/dbraw/zinc/24/62/92/899246292.db2.gz LOOGPWGZBDVPLK-NEPJUHHUSA-N 2 0 294.399 -0.593 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001382338863 899254122 /nfs/dbraw/zinc/25/41/22/899254122.db2.gz CFIPANFENLLKPZ-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001382369154 899260540 /nfs/dbraw/zinc/26/05/40/899260540.db2.gz NSJXJRAJBFTGPD-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001382402177 899278888 /nfs/dbraw/zinc/27/88/88/899278888.db2.gz RKKFHPMNFKNIIZ-LBPRGKRZSA-N 2 0 297.403 -0.513 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001385654847 899586493 /nfs/dbraw/zinc/58/64/93/899586493.db2.gz IXYRXWMZVPKLPM-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCN(C)C(=O)C[NH+]1CCCC1 ZINC001455457981 914365491 /nfs/dbraw/zinc/36/54/91/914365491.db2.gz AINIWCYZIRFDGL-UHFFFAOYSA-N 2 0 298.431 -0.001 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)CC[NH+](C)C ZINC001386194467 899634134 /nfs/dbraw/zinc/63/41/34/899634134.db2.gz GJRXBEKHCKYNBR-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001386216741 899638535 /nfs/dbraw/zinc/63/85/35/899638535.db2.gz FOOBXIMMUKORCR-XYPYZODXSA-N 2 0 293.371 -0.333 20 0 CBADRP CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)C[NH+]1CCCC1 ZINC001386888254 899725460 /nfs/dbraw/zinc/72/54/60/899725460.db2.gz HLTGMEWYCRZTPO-CYBMUJFWSA-N 2 0 296.415 -0.392 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001387733704 899824528 /nfs/dbraw/zinc/82/45/28/899824528.db2.gz QGKLOJOCQPXKMZ-UHFFFAOYSA-N 2 0 296.415 -0.249 20 0 CBADRP CC[C@@H](C(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001387823427 899837183 /nfs/dbraw/zinc/83/71/83/899837183.db2.gz UFVGMKOSDLAEOW-QWHCGFSZSA-N 2 0 296.415 -0.252 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001388672682 899898278 /nfs/dbraw/zinc/89/82/78/899898278.db2.gz QWKXCPHZDIGZMC-RQJABVFESA-N 2 0 299.415 -0.428 20 0 CBADRP CCN(CCNC(=O)CC[NH+](C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001455676729 914390436 /nfs/dbraw/zinc/39/04/36/914390436.db2.gz MNBIGCHRBVULSH-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001388727273 899904686 /nfs/dbraw/zinc/90/46/86/899904686.db2.gz VEISWJQXXIEXOE-YRGRVCCFSA-N 2 0 298.431 -0.197 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001388756356 899907705 /nfs/dbraw/zinc/90/77/05/899907705.db2.gz CAZAIXBXOMMXOX-OUCADQQQSA-N 2 0 298.431 -0.068 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001388744930 899908639 /nfs/dbraw/zinc/90/86/39/899908639.db2.gz NCGKIVXVQRXLJK-AVGNSLFASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001389520559 900032827 /nfs/dbraw/zinc/03/28/27/900032827.db2.gz ZDJULARUIXYVQD-QWHCGFSZSA-N 2 0 285.388 -0.863 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001389520549 900033618 /nfs/dbraw/zinc/03/36/18/900033618.db2.gz ZDJULARUIXYVQD-CHWSQXEVSA-N 2 0 285.388 -0.863 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001389719343 900062287 /nfs/dbraw/zinc/06/22/87/900062287.db2.gz OPDIIWNGNGPHHT-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001389816952 900076711 /nfs/dbraw/zinc/07/67/11/900076711.db2.gz BYZJHJKBVHIKSA-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP NC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001389823864 900077084 /nfs/dbraw/zinc/07/70/84/900077084.db2.gz DSOWHEFEOQSWSC-LBPRGKRZSA-N 2 0 282.388 -0.462 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001389952475 900099101 /nfs/dbraw/zinc/09/91/01/900099101.db2.gz AXDCRCSZNVAYQC-TUAOUCFPSA-N 2 0 282.388 -0.417 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001389991137 900101146 /nfs/dbraw/zinc/10/11/46/900101146.db2.gz OPZFKWVGQCEJNM-PHIMTYICSA-N 2 0 291.417 -0.781 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001389977592 900101861 /nfs/dbraw/zinc/10/18/61/900101861.db2.gz UJIQJVLIJAJZMW-FVCCEPFGSA-N 2 0 296.415 -0.301 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001390008166 900103443 /nfs/dbraw/zinc/10/34/43/900103443.db2.gz TZFPZXHDVIMSMR-BETUJISGSA-N 2 0 294.403 -0.143 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001390010713 900103470 /nfs/dbraw/zinc/10/34/70/900103470.db2.gz GWHMUWYFLILHIH-WHOHXGKFSA-N 2 0 282.388 -0.691 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001390053388 900109384 /nfs/dbraw/zinc/10/93/84/900109384.db2.gz BDUQBTHPUURQAZ-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001390101721 900114148 /nfs/dbraw/zinc/11/41/48/900114148.db2.gz DLOYWBCRWDMHHY-GFCCVEGCSA-N 2 0 294.399 -0.604 20 0 CBADRP CC[C@@H](C(=O)NC1CCC([NH2+]CC(N)=O)CC1)[NH+](C)C ZINC001390266520 900125700 /nfs/dbraw/zinc/12/57/00/900125700.db2.gz QAPJXYQDFPFROE-MCIGGMRASA-N 2 0 284.404 -0.171 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CCN1CCNC1=O)[NH+](C)C ZINC001390421399 900156920 /nfs/dbraw/zinc/15/69/20/900156920.db2.gz XNTYITACLVMPFB-VXGBXAGGSA-N 2 0 299.419 -0.554 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001390464488 900166560 /nfs/dbraw/zinc/16/65/60/900166560.db2.gz FBGRCHDNNNARBX-WDEREUQCSA-N 2 0 272.393 -0.491 20 0 CBADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H]1CCCNC1=O ZINC001390466099 900170263 /nfs/dbraw/zinc/17/02/63/900170263.db2.gz SSZCSNOWWKWYNF-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H]1CCCNC1=O ZINC001390466101 900170284 /nfs/dbraw/zinc/17/02/84/900170284.db2.gz SSZCSNOWWKWYNF-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@H]1CCCNC1=O ZINC001390466100 900170725 /nfs/dbraw/zinc/17/07/25/900170725.db2.gz SSZCSNOWWKWYNF-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001390487092 900172424 /nfs/dbraw/zinc/17/24/24/900172424.db2.gz XOPHVYLABMAMOC-NEPJUHHUSA-N 2 0 284.404 -0.171 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cnnn1C ZINC001390512525 900180420 /nfs/dbraw/zinc/18/04/20/900180420.db2.gz WSGDKXMEQUQZCF-LLVKDONJSA-N 2 0 282.392 -0.249 20 0 CBADRP COC[C@H](O)C[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001390508912 900180888 /nfs/dbraw/zinc/18/08/88/900180888.db2.gz NFZBNKMEGAKHOD-VXGBXAGGSA-N 2 0 285.388 -0.816 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+][C@@H]1CCNC1=O ZINC001390537963 900182974 /nfs/dbraw/zinc/18/29/74/900182974.db2.gz YVAVSPBGRSJKFO-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCn1cccn1 ZINC001390524273 900183074 /nfs/dbraw/zinc/18/30/74/900183074.db2.gz XBKVKPSVCYAUHQ-QWHCGFSZSA-N 2 0 279.388 -0.071 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001390548856 900187349 /nfs/dbraw/zinc/18/73/49/900187349.db2.gz FXQJTZSTQLKTCT-STQMWFEESA-N 2 0 294.399 -0.450 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001390564383 900190072 /nfs/dbraw/zinc/19/00/72/900190072.db2.gz AIIARFTXFLBMNJ-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001390601810 900195669 /nfs/dbraw/zinc/19/56/69/900195669.db2.gz CVHMLMKMROBFCJ-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001390607908 900195981 /nfs/dbraw/zinc/19/59/81/900195981.db2.gz VGFLAOATQQXYPK-GFCCVEGCSA-N 2 0 282.388 -0.734 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001390616433 900196282 /nfs/dbraw/zinc/19/62/82/900196282.db2.gz QOIPBNNFDDONPU-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]Cc1nnnn1C ZINC001390732239 900220628 /nfs/dbraw/zinc/22/06/28/900220628.db2.gz NZZQEMQUSUCYKC-LLVKDONJSA-N 2 0 297.407 -0.465 20 0 CBADRP C[C@H](C(=O)NC1CC1)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001390859916 900264342 /nfs/dbraw/zinc/26/43/42/900264342.db2.gz IUOWZLCFCQTNOP-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CCn1cncn1 ZINC001390888995 900279047 /nfs/dbraw/zinc/27/90/47/900279047.db2.gz OIXSRHKPHJHLAT-CYBMUJFWSA-N 2 0 294.403 -0.190 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1CCCN1[C@@H]1CCNC1=O ZINC001391060596 900301100 /nfs/dbraw/zinc/30/11/00/900301100.db2.gz IVXWOPYVXYFRSS-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H](C)C(N)=O ZINC001391135391 900317804 /nfs/dbraw/zinc/31/78/04/900317804.db2.gz JDRIPIDYHIZTKT-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[C@@H](C(=O)NCCN([C@H](C)C(N)=O)C1CC1)[NH+](C)C ZINC001391201865 900335842 /nfs/dbraw/zinc/33/58/42/900335842.db2.gz UHUMNCJJOVEOOE-PWSUYJOCSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)C[NH+]1CCCC1)C(=O)NC1CC1 ZINC001391220297 900342736 /nfs/dbraw/zinc/34/27/36/900342736.db2.gz MOAYVXIMMNFJKP-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)[C@H](C)C(N)=O)C1 ZINC001391354406 900363579 /nfs/dbraw/zinc/36/35/79/900363579.db2.gz PEKMYLRYMINEDR-CHWSQXEVSA-N 2 0 298.431 -0.018 20 0 CBADRP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001391668297 900429391 /nfs/dbraw/zinc/42/93/91/900429391.db2.gz VRAPPFXXMVCZLS-WCQYABFASA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]CC(N)=O ZINC001391695584 900436257 /nfs/dbraw/zinc/43/62/57/900436257.db2.gz RFYNQBOQNQLOLE-JQWIXIFHSA-N 2 0 272.393 -0.458 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C ZINC001391929042 900464358 /nfs/dbraw/zinc/46/43/58/900464358.db2.gz RMIIWHKCVUBZDQ-QWRGUYRKSA-N 2 0 272.393 -0.586 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001391929038 900464849 /nfs/dbraw/zinc/46/48/49/900464849.db2.gz RMIIWHKCVUBZDQ-GHMZBOCLSA-N 2 0 272.393 -0.586 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001391956400 900472120 /nfs/dbraw/zinc/47/21/20/900472120.db2.gz FJNJKQMBLGFOAE-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001392047011 900499774 /nfs/dbraw/zinc/49/97/74/900499774.db2.gz CQGLFAQZJJMYEU-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001392120491 900516918 /nfs/dbraw/zinc/51/69/18/900516918.db2.gz NVJJKIZECCCCIC-WDEREUQCSA-N 2 0 272.393 -0.362 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001392125067 900519466 /nfs/dbraw/zinc/51/94/66/900519466.db2.gz VUGBHLGYUOPSIC-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001392246076 900538658 /nfs/dbraw/zinc/53/86/58/900538658.db2.gz JRJCPCVEQACIAL-CHWSQXEVSA-N 2 0 298.431 -0.195 20 0 CBADRP CN(C)C(=O)CN(C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001392280714 900549770 /nfs/dbraw/zinc/54/97/70/900549770.db2.gz HGYKYEILPQJZFD-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(=O)NC ZINC001392357292 900580800 /nfs/dbraw/zinc/58/08/00/900580800.db2.gz UNWTYFHRQNYWPA-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(=O)NC ZINC001392357293 900581731 /nfs/dbraw/zinc/58/17/31/900581731.db2.gz UNWTYFHRQNYWPA-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP Cc1nocc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392426505 900613542 /nfs/dbraw/zinc/61/35/42/900613542.db2.gz MTTUWCAGIOQPMZ-WCQYABFASA-N 2 0 296.371 -0.499 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cccnc2)C1 ZINC001392424847 900614908 /nfs/dbraw/zinc/61/49/08/900614908.db2.gz KLQGLZOTAPBVMH-KGLIPLIRSA-N 2 0 292.383 -0.400 20 0 CBADRP Cc1nocc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392426503 900615122 /nfs/dbraw/zinc/61/51/22/900615122.db2.gz MTTUWCAGIOQPMZ-DGCLKSJQSA-N 2 0 296.371 -0.499 20 0 CBADRP C[C@@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001392439670 900617179 /nfs/dbraw/zinc/61/71/79/900617179.db2.gz KMOKLCFPXIYAKU-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001392502643 900638613 /nfs/dbraw/zinc/63/86/13/900638613.db2.gz IMZRXLWEFGSBRG-MNOVXSKESA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CCC[NH+](C)C ZINC001392507081 900639978 /nfs/dbraw/zinc/63/99/78/900639978.db2.gz PODCIIQNNUILJP-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001392510114 900641529 /nfs/dbraw/zinc/64/15/29/900641529.db2.gz CYEVBAZSQCCGQQ-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001392536221 900652737 /nfs/dbraw/zinc/65/27/37/900652737.db2.gz HCCMPPGTIFJFGT-OCCSQVGLSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001392564389 900661620 /nfs/dbraw/zinc/66/16/20/900661620.db2.gz VREDCRNWFNNVAC-GARJFASQSA-N 2 0 270.377 -0.704 20 0 CBADRP COC[C@@H](O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001392673974 900695640 /nfs/dbraw/zinc/69/56/40/900695640.db2.gz CRDVXHPXWAONAQ-FRRDWIJNSA-N 2 0 287.404 -0.476 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)CC1 ZINC001392789704 900723817 /nfs/dbraw/zinc/72/38/17/900723817.db2.gz UFNZSNIOECEQAS-GFCCVEGCSA-N 2 0 282.388 -0.702 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001392797612 900726509 /nfs/dbraw/zinc/72/65/09/900726509.db2.gz FTOTZYNNJCTEKN-QWHCGFSZSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@@H](C(N)=O)N1CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001392881675 900747113 /nfs/dbraw/zinc/74/71/13/900747113.db2.gz WNNXXDFZLCTMCF-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)C(N)=O)CC1 ZINC001392905938 900757821 /nfs/dbraw/zinc/75/78/21/900757821.db2.gz GQYDVERDGZXQGW-RYUDHWBXSA-N 2 0 296.415 -0.027 20 0 CBADRP NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001392937783 900767376 /nfs/dbraw/zinc/76/73/76/900767376.db2.gz CLAPSHWCMFRXIS-VXGBXAGGSA-N 2 0 294.399 -0.273 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001393039518 900784204 /nfs/dbraw/zinc/78/42/04/900784204.db2.gz CJSFAIOMULZXFC-OLZOCXBDSA-N 2 0 294.399 -0.606 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O)[NH+](C)C ZINC001393058886 900785717 /nfs/dbraw/zinc/78/57/17/900785717.db2.gz QWTGGSWWSYCLSG-AAEUAGOBSA-N 2 0 284.404 -0.362 20 0 CBADRP NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001393050959 900787192 /nfs/dbraw/zinc/78/71/92/900787192.db2.gz FONIUEQCWSNBEG-ZDUSSCGKSA-N 2 0 296.415 -0.072 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CCCC2)C1 ZINC001393083296 900790744 /nfs/dbraw/zinc/79/07/44/900790744.db2.gz JGQNUIVOUUPVCD-OLZOCXBDSA-N 2 0 296.415 -0.312 20 0 CBADRP C[NH+](C)CCCC(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001393215961 900801961 /nfs/dbraw/zinc/80/19/61/900801961.db2.gz UUBCUWMAXZOZQG-UHFFFAOYSA-N 2 0 287.404 -0.425 20 0 CBADRP COCC[N@@H+]1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001393270407 900822290 /nfs/dbraw/zinc/82/22/90/900822290.db2.gz FAXJEKARCCSFMO-CQSZACIVSA-N 2 0 287.404 -0.472 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CC(N)=O)C2 ZINC001393373514 900848828 /nfs/dbraw/zinc/84/88/28/900848828.db2.gz VVWQQJPMBMJJTG-AVGNSLFASA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001393380969 900848888 /nfs/dbraw/zinc/84/88/88/900848888.db2.gz BNKOHHGHRWXDFY-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001393380977 900848927 /nfs/dbraw/zinc/84/89/27/900848927.db2.gz BNKOHHGHRWXDFY-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP C[NH+](C)CCCC(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001393559664 900874055 /nfs/dbraw/zinc/87/40/55/900874055.db2.gz LOCPKCPPAMBJNB-UHFFFAOYSA-N 2 0 270.377 -0.558 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001393594629 900884433 /nfs/dbraw/zinc/88/44/33/900884433.db2.gz KJSGIZCFLKUFSO-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CNC(=O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001393643809 900886951 /nfs/dbraw/zinc/88/69/51/900886951.db2.gz JFOYQELXMYQBTB-GFCCVEGCSA-N 2 0 284.404 -0.536 20 0 CBADRP C[C@@H](O)C[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001393719491 900896851 /nfs/dbraw/zinc/89/68/51/900896851.db2.gz OMFQGYQBUJRTBH-CYBMUJFWSA-N 2 0 299.415 -0.282 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001393740724 900900201 /nfs/dbraw/zinc/90/02/01/900900201.db2.gz JACDGAHYYFMBRH-WDEREUQCSA-N 2 0 270.377 -0.752 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001393804307 900909335 /nfs/dbraw/zinc/90/93/35/900909335.db2.gz LBVLPITXUCUYBZ-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@H]1CCCNC1=O ZINC001393815374 900913560 /nfs/dbraw/zinc/91/35/60/900913560.db2.gz NWDDBQAHEWKYKI-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CN(CC(N)=O)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001393884509 900919792 /nfs/dbraw/zinc/91/97/92/900919792.db2.gz RKNNXSUSQKACTK-OLZOCXBDSA-N 2 0 296.415 -0.121 20 0 CBADRP COC[C@H](O)C[NH2+]CC1CC(NC(=O)Cn2ccnc2)C1 ZINC001393909590 900930008 /nfs/dbraw/zinc/93/00/08/900930008.db2.gz WDCRIVZJDRUFGG-WXRRBKDZSA-N 2 0 296.371 -0.625 20 0 CBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]CCn1cncn1 ZINC001393965961 900943276 /nfs/dbraw/zinc/94/32/76/900943276.db2.gz GBCYIDGBYBZJJY-VXGBXAGGSA-N 2 0 282.392 -0.287 20 0 CBADRP C[C@@H]([NH2+]CCO)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001394333044 901012756 /nfs/dbraw/zinc/01/27/56/901012756.db2.gz NVOPTRJSCFOMNP-TZMCWYRMSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H]([NH2+]CCO)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001394333038 901014357 /nfs/dbraw/zinc/01/43/57/901014357.db2.gz NVOPTRJSCFOMNP-GXTWGEPZSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001394373448 901020097 /nfs/dbraw/zinc/02/00/97/901020097.db2.gz ZXKWXODQBULCKM-BJDJZHNGSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001394627636 901097151 /nfs/dbraw/zinc/09/71/51/901097151.db2.gz CYYCWUXZBRSDOV-WCQYABFASA-N 2 0 287.404 -0.834 20 0 CBADRP C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001394622937 901097586 /nfs/dbraw/zinc/09/75/86/901097586.db2.gz YXDPJSMCCSXBFR-NWDGAFQWSA-N 2 0 287.404 -0.692 20 0 CBADRP C[N@H+](CC(=O)NC[C@H](CO)[NH2+]CCO)CC(C)(C)C ZINC001394638309 901100439 /nfs/dbraw/zinc/10/04/39/901100439.db2.gz SOBPDTLNRZMQGG-LLVKDONJSA-N 2 0 275.393 -0.977 20 0 CBADRP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C(=O)CC[NH+](C)C ZINC001395863999 901277552 /nfs/dbraw/zinc/27/75/52/901277552.db2.gz RHKQMDHYMQLFIK-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCN1C(=O)CC[NH+](C)C ZINC001395863996 901278554 /nfs/dbraw/zinc/27/85/54/901278554.db2.gz RHKQMDHYMQLFIK-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001396939383 901348713 /nfs/dbraw/zinc/34/87/13/901348713.db2.gz OGFGZXYEVNKQHF-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001397138834 901367093 /nfs/dbraw/zinc/36/70/93/901367093.db2.gz VMNAHJMOTBQUQI-AVGNSLFASA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H]([NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1)C(N)=O ZINC001398436112 901537143 /nfs/dbraw/zinc/53/71/43/901537143.db2.gz MBUXLAODFCXDQX-ZYHUDNBSSA-N 2 0 296.415 -0.314 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]([NH2+][C@H]1CCNC1=O)C1CC1 ZINC001398432105 901538868 /nfs/dbraw/zinc/53/88/68/901538868.db2.gz FJQBTOKTWRCMOM-RYUDHWBXSA-N 2 0 282.388 -0.689 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001398443695 901541239 /nfs/dbraw/zinc/54/12/39/901541239.db2.gz GDLVGOINBHUERR-TZMCWYRMSA-N 2 0 298.431 -0.197 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001398521583 901547768 /nfs/dbraw/zinc/54/77/68/901547768.db2.gz GCDDZGCXNJPSLZ-UWVGGRQHSA-N 2 0 279.344 -0.723 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001398534768 901551013 /nfs/dbraw/zinc/55/10/13/901551013.db2.gz TXZVFMBLBBCWRW-RYUDHWBXSA-N 2 0 282.388 -0.594 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001398536537 901551973 /nfs/dbraw/zinc/55/19/73/901551973.db2.gz KWVTVKHSXNIGSM-DCAQKATOSA-N 2 0 288.367 -0.612 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001398551540 901557669 /nfs/dbraw/zinc/55/76/69/901557669.db2.gz DQTXIFMSVUHXCP-AAVRWANBSA-N 2 0 299.415 -0.428 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001398659955 901584322 /nfs/dbraw/zinc/58/43/22/901584322.db2.gz FQUYMVUADFILTQ-SDDRHHMPSA-N 2 0 282.388 -0.689 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001398734815 901597595 /nfs/dbraw/zinc/59/75/95/901597595.db2.gz XWAZBLCBUHCKPI-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+][C@@H](C)C(N)=O ZINC001398961989 901640923 /nfs/dbraw/zinc/64/09/23/901640923.db2.gz BQGOIWYQEGXXDQ-RYUDHWBXSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CCn1cncn1)[NH+](C)C ZINC001398961965 901642397 /nfs/dbraw/zinc/64/23/97/901642397.db2.gz BKSWAEXTJVIWPC-VXGBXAGGSA-N 2 0 282.392 -0.287 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@H]1CCNC1=O ZINC001399022572 901651245 /nfs/dbraw/zinc/65/12/45/901651245.db2.gz FRJBCWDRJMXPBW-MNOVXSKESA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@H]1CCN(C)C1=O ZINC001399035958 901655322 /nfs/dbraw/zinc/65/53/22/901655322.db2.gz OOQUYBFSSDGLDI-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)N1CCC1 ZINC001399047753 901655851 /nfs/dbraw/zinc/65/58/51/901655851.db2.gz WKAYZASSJURIKF-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCN1CCCC1=O ZINC001399112861 901669129 /nfs/dbraw/zinc/66/91/29/901669129.db2.gz LYOFWUDNFINIAV-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001399122282 901670886 /nfs/dbraw/zinc/67/08/86/901670886.db2.gz QXDWMCZAIOFNEP-GHMZBOCLSA-N 2 0 270.377 -0.832 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001399286758 901690419 /nfs/dbraw/zinc/69/04/19/901690419.db2.gz ISAOCJXEDDMIHL-NWDGAFQWSA-N 2 0 284.404 -0.265 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001399273155 901690666 /nfs/dbraw/zinc/69/06/66/901690666.db2.gz NJFZYFLSLJVESX-NWDGAFQWSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)[C@H]2CCNC2=O)C1 ZINC001399294981 901690907 /nfs/dbraw/zinc/69/09/07/901690907.db2.gz URTDRVDJOIBUSD-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ncnn1C ZINC001399313187 901696571 /nfs/dbraw/zinc/69/65/71/901696571.db2.gz GGGTZYFAJBJZSB-NWDGAFQWSA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N(C)C ZINC001399324049 901698469 /nfs/dbraw/zinc/69/84/69/901698469.db2.gz QNJXJYZVANPRSH-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@H]1CCNC1=O ZINC001399378714 901705556 /nfs/dbraw/zinc/70/55/56/901705556.db2.gz VXGBEICBLLKZEN-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CCn1cncn1 ZINC001399432688 901716611 /nfs/dbraw/zinc/71/66/11/901716611.db2.gz WBBYSJQWBORZPX-CYBMUJFWSA-N 2 0 294.403 -0.142 20 0 CBADRP C[C@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+]CC(N)=O ZINC001399439053 901721895 /nfs/dbraw/zinc/72/18/95/901721895.db2.gz YMEWLDMSORARFU-GFCCVEGCSA-N 2 0 284.404 -0.168 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001399489782 901735546 /nfs/dbraw/zinc/73/55/46/901735546.db2.gz VSBOLCNBCVUYGV-KBPBESRZSA-N 2 0 299.415 -0.617 20 0 CBADRP CCN(CCNC(=O)[C@H]1CCCC[N@@H+]1C)CC(N)=O ZINC001399724219 901777627 /nfs/dbraw/zinc/77/76/27/901777627.db2.gz VLAATTMWBZPNBU-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP CC(C)(C(=O)NC[C@H]1CCCN1CC(N)=O)[NH+]1CCCC1 ZINC001399887115 901824353 /nfs/dbraw/zinc/82/43/53/901824353.db2.gz ZRWMSUUUALIPQE-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001399922080 901836140 /nfs/dbraw/zinc/83/61/40/901836140.db2.gz DBGCNSZNVJNSIZ-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001399919248 901836798 /nfs/dbraw/zinc/83/67/98/901836798.db2.gz AVJYSDLWOUHHHL-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001399932662 901839314 /nfs/dbraw/zinc/83/93/14/901839314.db2.gz UOCOJSMMZXJFKD-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001400040233 901860450 /nfs/dbraw/zinc/86/04/50/901860450.db2.gz MOJINOFWSNYIBP-GFCCVEGCSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+][C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC001400053505 901866660 /nfs/dbraw/zinc/86/66/60/901866660.db2.gz NUHYYAPYPGCWPA-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001400190851 901893857 /nfs/dbraw/zinc/89/38/57/901893857.db2.gz ZJNOXABKAWLGHB-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001400286471 901907432 /nfs/dbraw/zinc/90/74/32/901907432.db2.gz GEJKIWLFCAFERZ-MCIONIFRSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001400286474 901908745 /nfs/dbraw/zinc/90/87/45/901908745.db2.gz GEJKIWLFCAFERZ-MJBXVCDLSA-N 2 0 299.415 -0.474 20 0 CBADRP CO[C@H](C)CN1CC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001400448520 901943608 /nfs/dbraw/zinc/94/36/08/901943608.db2.gz JCSHGPAFOBWPMM-QWHCGFSZSA-N 2 0 299.415 -0.210 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](C[C@@H](O)COC)C1 ZINC001400631810 901985183 /nfs/dbraw/zinc/98/51/83/901985183.db2.gz YNECIKNISBMMCX-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP CN(C(=O)CC[NH+](C)C)C1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001400797828 902017005 /nfs/dbraw/zinc/01/70/05/902017005.db2.gz ROZBDUDMUZGIAX-CYBMUJFWSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NC ZINC001400805441 902022411 /nfs/dbraw/zinc/02/24/11/902022411.db2.gz UWXXGUOPMWPTEH-IJLUTSLNSA-N 2 0 284.404 -0.443 20 0 CBADRP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(=O)NC ZINC001400873376 902033301 /nfs/dbraw/zinc/03/33/01/902033301.db2.gz ZRXHHPCGBJMFIY-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001401117832 902057616 /nfs/dbraw/zinc/05/76/16/902057616.db2.gz WZTWQVLBPFSMLN-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001401117686 902057877 /nfs/dbraw/zinc/05/78/77/902057877.db2.gz WRLRDSJEIYQKCI-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CC(N)=O)CCCC2)C1 ZINC001401190859 902076724 /nfs/dbraw/zinc/07/67/24/902076724.db2.gz ZKSHUJKNLILQEY-NSHDSACASA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)CC[NH+](C)C ZINC001401236093 902087227 /nfs/dbraw/zinc/08/72/27/902087227.db2.gz GXBVYZVTOLYLBQ-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001401255129 902097308 /nfs/dbraw/zinc/09/73/08/902097308.db2.gz OHUKGACSNPSUGQ-OLZOCXBDSA-N 2 0 299.415 -0.474 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001401295350 902100530 /nfs/dbraw/zinc/10/05/30/902100530.db2.gz KGCFQKCMLZCAKN-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001401475843 902128051 /nfs/dbraw/zinc/12/80/51/902128051.db2.gz CIJIOCRFFVEDOW-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001401570030 902172053 /nfs/dbraw/zinc/17/20/53/902172053.db2.gz SSZOTGGGYZZICD-NEPJUHHUSA-N 2 0 285.388 -0.938 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001401598922 902181552 /nfs/dbraw/zinc/18/15/52/902181552.db2.gz CNBZRMUBMQOHKS-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CC[NH2+][C@@H](C)C(N)=O ZINC001401605494 902184104 /nfs/dbraw/zinc/18/41/04/902184104.db2.gz PSVNRCMXERXYHR-QWRGUYRKSA-N 2 0 272.393 -0.315 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001401604497 902184441 /nfs/dbraw/zinc/18/44/41/902184441.db2.gz VLSKNUFIZSQNDT-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)C[NH+]1CCCC1 ZINC001401609025 902188125 /nfs/dbraw/zinc/18/81/25/902188125.db2.gz KWZBGYXFUGEZCI-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401610067 902190096 /nfs/dbraw/zinc/19/00/96/902190096.db2.gz MNEFEAQBKRWARV-WDEREUQCSA-N 2 0 270.377 -0.750 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001401633513 902198983 /nfs/dbraw/zinc/19/89/83/902198983.db2.gz VYEXKXSFBQTKGJ-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001401637388 902203480 /nfs/dbraw/zinc/20/34/80/902203480.db2.gz HMEKSSANCYPUPN-UTUOFQBUSA-N 2 0 284.404 -0.171 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001401640572 902205643 /nfs/dbraw/zinc/20/56/43/902205643.db2.gz QZTMASQDSUNPPA-WOPDTQHZSA-N 2 0 284.404 -0.443 20 0 CBADRP CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)C1=O ZINC001401672881 902221784 /nfs/dbraw/zinc/22/17/84/902221784.db2.gz XTHGFIBZVSJSKG-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001401686143 902230663 /nfs/dbraw/zinc/23/06/63/902230663.db2.gz NQLRQBZYCHPIPV-WDEREUQCSA-N 2 0 284.404 -0.301 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401724209 902244786 /nfs/dbraw/zinc/24/47/86/902244786.db2.gz XPHCVWHTNALKHH-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001401715412 902245150 /nfs/dbraw/zinc/24/51/50/902245150.db2.gz CETNONCZYPRJCH-NWDGAFQWSA-N 2 0 285.388 -0.816 20 0 CBADRP C[C@H](C[N@H+](C)[C@H]1CCN(C)C1=O)NC(=O)CCC[NH+](C)C ZINC001401783323 902275218 /nfs/dbraw/zinc/27/52/18/902275218.db2.gz LJGAOVZEYFWYKY-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001401847162 902287667 /nfs/dbraw/zinc/28/76/67/902287667.db2.gz VPEPHDFKTMPEQW-CHWSQXEVSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1)C(N)=O ZINC001401948104 902320999 /nfs/dbraw/zinc/32/09/99/902320999.db2.gz AYORAVIEMZMKJG-LLVKDONJSA-N 2 0 294.399 -0.273 20 0 CBADRP CN1CC[C@@H]([NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)C1=O ZINC001401959760 902321303 /nfs/dbraw/zinc/32/13/03/902321303.db2.gz DSRWFAVBJDVARI-LLVKDONJSA-N 2 0 282.388 -0.593 20 0 CBADRP CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001401950628 902322926 /nfs/dbraw/zinc/32/29/26/902322926.db2.gz KYRBOIDGZMCFJK-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)CC[NH+](C)C)CC1)C(=O)N(C)C ZINC001401963315 902326847 /nfs/dbraw/zinc/32/68/47/902326847.db2.gz NPACPMWZTSYLBA-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP CCNC(=O)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001401979546 902329558 /nfs/dbraw/zinc/32/95/58/902329558.db2.gz QOTOZMWSKJVNDY-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[C@@H]([NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1)C(N)=O ZINC001401984395 902332013 /nfs/dbraw/zinc/33/20/13/902332013.db2.gz IBCCUILCJHWBKZ-LLVKDONJSA-N 2 0 282.388 -0.416 20 0 CBADRP C[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001402251454 902391207 /nfs/dbraw/zinc/39/12/07/902391207.db2.gz XFJFTZIFIDVCCL-STQMWFEESA-N 2 0 299.415 -0.426 20 0 CBADRP CC[C@H](C(=O)N[C@H]1CC12CC[NH+](CC(N)=O)CC2)[NH+](C)C ZINC001402252884 902397657 /nfs/dbraw/zinc/39/76/57/902397657.db2.gz OYSINSVLJRQBHK-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP COC[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001402290719 902411976 /nfs/dbraw/zinc/41/19/76/902411976.db2.gz MUGHGPCRPNDNBT-UKRRQHHQSA-N 2 0 299.415 -0.330 20 0 CBADRP NC(=O)C[NH2+][C@H](CNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001402384631 902440028 /nfs/dbraw/zinc/44/00/28/902440028.db2.gz UPIUHGKAACDYOI-CYBMUJFWSA-N 2 0 296.415 -0.168 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001402441009 902451628 /nfs/dbraw/zinc/45/16/28/902451628.db2.gz WEUNTTRXXPTCKR-XQQFMLRXSA-N 2 0 296.415 -0.408 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001402462032 902455443 /nfs/dbraw/zinc/45/54/43/902455443.db2.gz LGZRZPQSMNEQMK-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001402508740 902468140 /nfs/dbraw/zinc/46/81/40/902468140.db2.gz PADQFSNTRMYIRW-JOCQHMNTSA-N 2 0 294.403 -0.143 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001402509898 902468203 /nfs/dbraw/zinc/46/82/03/902468203.db2.gz DCBWPXMKEDKTAZ-SRVKXCTJSA-N 2 0 284.404 -0.301 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001402514977 902469737 /nfs/dbraw/zinc/46/97/37/902469737.db2.gz JJROFXPLUNOACY-AVGNSLFASA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001402528181 902471943 /nfs/dbraw/zinc/47/19/43/902471943.db2.gz HZSQQSCZHGAWOA-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001402533590 902472405 /nfs/dbraw/zinc/47/24/05/902472405.db2.gz GLNMUFOXOWARPO-JOCQHMNTSA-N 2 0 296.415 -0.299 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001402549665 902474970 /nfs/dbraw/zinc/47/49/70/902474970.db2.gz KBIFQOFHJUZOAA-HAQNSBGRSA-N 2 0 284.404 -0.301 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001402539513 902476435 /nfs/dbraw/zinc/47/64/35/902476435.db2.gz TZFPZXHDVIMSMR-JOCQHMNTSA-N 2 0 294.403 -0.143 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001402607265 902490057 /nfs/dbraw/zinc/49/00/57/902490057.db2.gz IOXNVGDAZMHSSC-GARJFASQSA-N 2 0 270.377 -0.691 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1)C(N)=O ZINC001402635157 902494440 /nfs/dbraw/zinc/49/44/40/902494440.db2.gz UCXUJWTZTUTZPV-WRWGMCAJSA-N 2 0 284.404 -0.173 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001402631645 902494749 /nfs/dbraw/zinc/49/47/49/902494749.db2.gz VRHWZAPQVSRVAL-FRRDWIJNSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@@H](C(=O)N(C)CCC[N@H+](C)[C@@H](C)C(N)=O)[NH+](C)C ZINC001402652512 902497949 /nfs/dbraw/zinc/49/79/49/902497949.db2.gz GJYCRCIXOBQVRU-RYUDHWBXSA-N 2 0 286.420 -0.019 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001402681856 902502222 /nfs/dbraw/zinc/50/22/22/902502222.db2.gz LHQXJZLLZJJIFD-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001402702630 902505199 /nfs/dbraw/zinc/50/51/99/902505199.db2.gz VEFWOUNECMCMDQ-OLZOCXBDSA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CC(=O)N1CCC1 ZINC001402801705 902522842 /nfs/dbraw/zinc/52/28/42/902522842.db2.gz ZQDYHZJDESTXCC-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001402888789 902551797 /nfs/dbraw/zinc/55/17/97/902551797.db2.gz OUQPJZISVWWMGK-RYUDHWBXSA-N 2 0 284.404 -0.301 20 0 CBADRP CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001402949459 902573452 /nfs/dbraw/zinc/57/34/52/902573452.db2.gz MGNUFJDFWLPVSZ-CPCZMJQVSA-N 2 0 296.415 -0.441 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001403032733 902598266 /nfs/dbraw/zinc/59/82/66/902598266.db2.gz JHGRJCFVOFIEMD-VXGBXAGGSA-N 2 0 286.420 -0.055 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001403040619 902598660 /nfs/dbraw/zinc/59/86/60/902598660.db2.gz JOGSIKYMYOJVTJ-VHSXEESVSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC(=O)N(C)C ZINC001403067609 902606171 /nfs/dbraw/zinc/60/61/71/902606171.db2.gz OJIWEKIFCZQPDZ-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001403070707 902608085 /nfs/dbraw/zinc/60/80/85/902608085.db2.gz VXQJPXNHEBZPNC-WXRRBKDZSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cnnn1C ZINC001403087525 902611978 /nfs/dbraw/zinc/61/19/78/902611978.db2.gz QJXWBKMSOGYNEC-LLVKDONJSA-N 2 0 292.387 -0.495 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001403168063 902634272 /nfs/dbraw/zinc/63/42/72/902634272.db2.gz OYMKHXRZFGZKDF-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@H]1CCCNC1=O ZINC001403174199 902640348 /nfs/dbraw/zinc/64/03/48/902640348.db2.gz XQOKSFCELCTXGW-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)[C@H](C)N(C)[C@@H](C)CNC(=O)Cn1ccnc1 ZINC001403216077 902650280 /nfs/dbraw/zinc/65/02/80/902650280.db2.gz JLSXGLMCZJIOHF-QWRGUYRKSA-N 2 0 281.360 -0.546 20 0 CBADRP C[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001403241078 902659164 /nfs/dbraw/zinc/65/91/64/902659164.db2.gz CEJCEUFXYFSPIT-STQMWFEESA-N 2 0 281.400 -0.099 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001403270996 902663078 /nfs/dbraw/zinc/66/30/78/902663078.db2.gz FKIKNZWWYJVFSI-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP CNC(=O)[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001403320229 902668574 /nfs/dbraw/zinc/66/85/74/902668574.db2.gz CUJXKGWWKNVZHB-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001403413765 902683427 /nfs/dbraw/zinc/68/34/27/902683427.db2.gz JHAQDBNXJHWMTD-SRVKXCTJSA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC001403486967 902699376 /nfs/dbraw/zinc/69/93/76/902699376.db2.gz LXXUVKMSIODBSG-MNOVXSKESA-N 2 0 272.393 -0.315 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cnnn1C ZINC001403532530 902717878 /nfs/dbraw/zinc/71/78/78/902717878.db2.gz URXBBJWIDPNTRE-AAEUAGOBSA-N 2 0 294.403 -0.154 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001403573471 902738670 /nfs/dbraw/zinc/73/86/70/902738670.db2.gz DMSBPYGVRIWRMZ-LBPRGKRZSA-N 2 0 287.404 -0.474 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@H](CO)[NH2+]C[C@H]2CCOC2)CC1 ZINC001403708434 902815068 /nfs/dbraw/zinc/81/50/68/902815068.db2.gz NNDJPVUCDVDVHP-CHWSQXEVSA-N 2 0 299.415 -0.569 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)C[C@@H]1C ZINC001403751948 902836161 /nfs/dbraw/zinc/83/61/61/902836161.db2.gz NNBQQKMOHHFAIR-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP Cn1nccc1C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001403763556 902841010 /nfs/dbraw/zinc/84/10/10/902841010.db2.gz ZVCBBEQCJXCOLK-GFCCVEGCSA-N 2 0 295.387 -0.917 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001403766827 902843874 /nfs/dbraw/zinc/84/38/74/902843874.db2.gz KEWWCQKMKPQFSI-NEPJUHHUSA-N 2 0 294.399 -0.593 20 0 CBADRP CC[C@H](C(=O)N1C[C@H]([NH2+]CC(=O)NC)C(C)(C)C1)[NH+](C)C ZINC001403830735 902867087 /nfs/dbraw/zinc/86/70/87/902867087.db2.gz SPGQOGQEJRHZPU-NEPJUHHUSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCCNC1=O ZINC001403938310 902910284 /nfs/dbraw/zinc/91/02/84/902910284.db2.gz GVWPXYZVMYHSLH-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](C)C(N)=O ZINC001403940647 902913666 /nfs/dbraw/zinc/91/36/66/902913666.db2.gz PUFMXYIGQSOZRI-WDEREUQCSA-N 2 0 270.377 -0.750 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCCN1[C@@H]1CCNC1=O ZINC001404020388 902924506 /nfs/dbraw/zinc/92/45/06/902924506.db2.gz LHWICDWQMQGQEU-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001404106344 902940708 /nfs/dbraw/zinc/94/07/08/902940708.db2.gz XKWXTYWFFHGNNE-WDEREUQCSA-N 2 0 270.377 -0.750 20 0 CBADRP CCC[N@H+](CCNC(=O)CC[NH+](C)C)[C@H]1CCN(C)C1=O ZINC001404150209 902947800 /nfs/dbraw/zinc/94/78/00/902947800.db2.gz OHWCCBZXYIATAY-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001404479139 902990862 /nfs/dbraw/zinc/99/08/62/902990862.db2.gz VKNQHNFWTJFWJV-VXGBXAGGSA-N 2 0 284.404 -0.395 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001405000265 903071741 /nfs/dbraw/zinc/07/17/41/903071741.db2.gz PXEWQWIHAZRAJD-GXTWGEPZSA-N 2 0 299.415 -0.332 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCn2cncn2)C1 ZINC001405033082 903075086 /nfs/dbraw/zinc/07/50/86/903075086.db2.gz WJOZXOTWTFSWQR-ZDUSSCGKSA-N 2 0 294.403 -0.190 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001405069420 903079422 /nfs/dbraw/zinc/07/94/22/903079422.db2.gz RNKYWSPMZMLAPU-BFHYXJOUSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H](CC)C(N)=O ZINC001405333514 903149016 /nfs/dbraw/zinc/14/90/16/903149016.db2.gz JQDAHSSKWWLUII-VXGBXAGGSA-N 2 0 296.415 -0.170 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001405580148 903180928 /nfs/dbraw/zinc/18/09/28/903180928.db2.gz KWVNEAKRPRYZGF-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001405598328 903185999 /nfs/dbraw/zinc/18/59/99/903185999.db2.gz SNJJKGVJNIKQDN-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001405716100 903207796 /nfs/dbraw/zinc/20/77/96/903207796.db2.gz HVTHDSZLDJDQJP-LBPRGKRZSA-N 2 0 296.419 -0.003 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@H](C)C(N)=O ZINC001405711158 903209340 /nfs/dbraw/zinc/20/93/40/903209340.db2.gz AFKAQXCEGZLVPZ-WDEREUQCSA-N 2 0 272.393 -0.458 20 0 CBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+][C@H]1CCNC1=O ZINC001405736054 903213642 /nfs/dbraw/zinc/21/36/42/903213642.db2.gz QACKZSADGAKYIS-NEPJUHHUSA-N 2 0 294.399 -0.687 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001405798050 903221744 /nfs/dbraw/zinc/22/17/44/903221744.db2.gz RTJFJUCQAYYUDH-NEPJUHHUSA-N 2 0 284.404 -0.395 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001405846634 903232199 /nfs/dbraw/zinc/23/21/99/903232199.db2.gz CSIHDHLCSDEJRO-LBPRGKRZSA-N 2 0 298.431 -0.147 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001405845207 903232724 /nfs/dbraw/zinc/23/27/24/903232724.db2.gz ARQOFUSGGRLINY-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001405875511 903240025 /nfs/dbraw/zinc/24/00/25/903240025.db2.gz VALHBUKWMGRHKM-RYUDHWBXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1C[N@H+](C[C@H]2CCOC2)CCO1 ZINC001405876334 903240590 /nfs/dbraw/zinc/24/05/90/903240590.db2.gz NUEKCTNRMSUWKF-KGLIPLIRSA-N 2 0 299.415 -0.208 20 0 CBADRP CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1)C(N)=O ZINC001405884812 903244933 /nfs/dbraw/zinc/24/49/33/903244933.db2.gz HAJIAACVRHWYOL-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1)C(N)=O ZINC001405884804 903246829 /nfs/dbraw/zinc/24/68/29/903246829.db2.gz HAJIAACVRHWYOL-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H](C)C1 ZINC001405956472 903248040 /nfs/dbraw/zinc/24/80/40/903248040.db2.gz BFWFMYBTXPMBMV-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001405971256 903249828 /nfs/dbraw/zinc/24/98/28/903249828.db2.gz MVBOEDFNXWCECH-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CC(C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001406042422 903256938 /nfs/dbraw/zinc/25/69/38/903256938.db2.gz PAJFSFBATOOQLD-NWDGAFQWSA-N 2 0 284.404 -0.314 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001406070947 903262743 /nfs/dbraw/zinc/26/27/43/903262743.db2.gz NPOXILMCAJPEFD-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H]([NH2+][C@@H]1CCNC1=O)C(C)C ZINC001406073311 903263256 /nfs/dbraw/zinc/26/32/56/903263256.db2.gz NNURWCFGODJMQM-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)on1 ZINC001406281753 903340152 /nfs/dbraw/zinc/34/01/52/903340152.db2.gz HWYGPMDGYBMLRQ-RYUDHWBXSA-N 2 0 296.371 -0.499 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001406301038 903345556 /nfs/dbraw/zinc/34/55/56/903345556.db2.gz ADCSSRBBMGSKOR-JHJVBQTASA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](CC[NH2+][C@H](C)C(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001406308166 903350683 /nfs/dbraw/zinc/35/06/83/903350683.db2.gz FLYJTYCNJPDUTI-GHMZBOCLSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001406318523 903355185 /nfs/dbraw/zinc/35/51/85/903355185.db2.gz MFVFQZXMMXNOIV-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001406364318 903376733 /nfs/dbraw/zinc/37/67/33/903376733.db2.gz GIAQWBUDVFQKPF-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001406400773 903391780 /nfs/dbraw/zinc/39/17/80/903391780.db2.gz DPQKWTTWYDBUSY-VWYCJHECSA-N 2 0 270.377 -0.691 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)CC[NH+](C)C ZINC001406408011 903396345 /nfs/dbraw/zinc/39/63/45/903396345.db2.gz QOONQQCQGICDLF-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CC[NH+]1CCCCC1 ZINC001406433530 903400808 /nfs/dbraw/zinc/40/08/08/903400808.db2.gz SGDSNKHDACQEEK-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001406796001 903477900 /nfs/dbraw/zinc/47/79/00/903477900.db2.gz WKKQKKYOLDFTHG-OLZOCXBDSA-N 2 0 296.415 -0.441 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001406796005 903480226 /nfs/dbraw/zinc/48/02/26/903480226.db2.gz WKKQKKYOLDFTHG-QWHCGFSZSA-N 2 0 296.415 -0.441 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001406812736 903482418 /nfs/dbraw/zinc/48/24/18/903482418.db2.gz DAAAXWPPLKSEHB-DGCLKSJQSA-N 2 0 298.431 -0.055 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001406872016 903497653 /nfs/dbraw/zinc/49/76/53/903497653.db2.gz GLQGENVJHLPROB-STQMWFEESA-N 2 0 299.415 -0.332 20 0 CBADRP CC(C)[C@@H](C(=O)NCC1([NH2+]CC(N)=O)CC1)[NH+](C)C ZINC001406934543 903512823 /nfs/dbraw/zinc/51/28/23/903512823.db2.gz HHSDUFOTKZHKSA-NSHDSACASA-N 2 0 270.377 -0.704 20 0 CBADRP CN1CC[C@@H]([NH2+]C2(CNC(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001406953974 903516946 /nfs/dbraw/zinc/51/69/46/903516946.db2.gz LHDCBQKHPPKZHM-VXGBXAGGSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001406986285 903524047 /nfs/dbraw/zinc/52/40/47/903524047.db2.gz HRUHYWOIIQKNHI-MNOVXSKESA-N 2 0 282.388 -0.560 20 0 CBADRP O=C(NCC1([NH2+][C@H]2CCNC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001406986691 903524450 /nfs/dbraw/zinc/52/44/50/903524450.db2.gz JIYFCVSBXPTJGZ-NSHDSACASA-N 2 0 292.383 -0.791 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+][C@@H](C)C(N)=O)CC1 ZINC001407008907 903526121 /nfs/dbraw/zinc/52/61/21/903526121.db2.gz PLWMSCVICMFRJJ-JTQLQIEISA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1([NH2+]CCO)CC1 ZINC001406995678 903526317 /nfs/dbraw/zinc/52/63/17/903526317.db2.gz PZTSAKYGQSBILM-GFCCVEGCSA-N 2 0 285.388 -0.815 20 0 CBADRP C[NH+](C)CCC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001407065761 903535038 /nfs/dbraw/zinc/53/50/38/903535038.db2.gz KIUAGJMMEPMTRJ-UHFFFAOYSA-N 2 0 296.415 -0.295 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001407144472 903549692 /nfs/dbraw/zinc/54/96/92/903549692.db2.gz VPEONNHJRFFDBS-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+](C)C1(C(=O)NCC2([NH2+]CCO)CCOCC2)CCC1 ZINC001407323456 903566693 /nfs/dbraw/zinc/56/66/93/903566693.db2.gz PSDQMFHGSMZPQM-UHFFFAOYSA-N 2 0 299.415 -0.282 20 0 CBADRP C[N@H+](CC(=O)NC[C@@]1(O)CC[NH+](CCCO)C1)C1CCC1 ZINC001407343279 903574494 /nfs/dbraw/zinc/57/44/94/903574494.db2.gz GXZLCJNRRYWAHX-HNNXBMFYSA-N 2 0 299.415 -0.594 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001407537648 903625383 /nfs/dbraw/zinc/62/53/83/903625383.db2.gz HLXGWOSFHYKTNG-VXGBXAGGSA-N 2 0 284.404 -0.362 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001407609649 903635901 /nfs/dbraw/zinc/63/59/01/903635901.db2.gz AFSJNOUZWQGDRW-AWEZNQCLSA-N 2 0 287.404 -0.736 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001407763004 903656109 /nfs/dbraw/zinc/65/61/09/903656109.db2.gz FPVZAGXLHIDBMP-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC(N)=O)CC1 ZINC001407897694 903674443 /nfs/dbraw/zinc/67/44/43/903674443.db2.gz XBLQWGTUMKBBMK-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP O=C(N1CCC[C@@](CO)([NH2+]CCF)C1)C12CC[NH+](CC1)C2 ZINC001408029030 903691452 /nfs/dbraw/zinc/69/14/52/903691452.db2.gz SLMVDWUXNPOZAX-OAHLLOKOSA-N 2 0 299.390 -0.005 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001408097488 903709858 /nfs/dbraw/zinc/70/98/58/903709858.db2.gz JDOYHPPWKSWNOC-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP C[N@H+](CCO)C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001408348199 903757215 /nfs/dbraw/zinc/75/72/15/903757215.db2.gz ZOLIUPHLSBABLE-CYBMUJFWSA-N 2 0 281.400 -0.003 20 0 CBADRP C[NH+](C)CCC(=O)N1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001409054502 903840010 /nfs/dbraw/zinc/84/00/10/903840010.db2.gz UGFHLDLTVANUOZ-UHFFFAOYSA-N 2 0 282.388 -0.639 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC(NC(=O)C[NH+](CC)CC)C1 ZINC001409054757 903841106 /nfs/dbraw/zinc/84/11/06/903841106.db2.gz DYGNONYSRRGJRR-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001409099919 903849817 /nfs/dbraw/zinc/84/98/17/903849817.db2.gz VRBAYCFHCJAFOP-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001409457509 903902587 /nfs/dbraw/zinc/90/25/87/903902587.db2.gz HUVLFRKRSJRWNY-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001409425838 903903414 /nfs/dbraw/zinc/90/34/14/903903414.db2.gz LDASQBUQFKGEOC-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP CCCC[C@H](C[NH2+]CC(=O)NC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001409844567 903974842 /nfs/dbraw/zinc/97/48/42/903974842.db2.gz OWSMBIUTWHLWSA-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410209776 904044326 /nfs/dbraw/zinc/04/43/26/904044326.db2.gz QGNHXDMQIGPXJK-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001410214964 904045859 /nfs/dbraw/zinc/04/58/59/904045859.db2.gz GVULMSMDXZYZKF-HAQNSBGRSA-N 2 0 282.388 -0.687 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001410227980 904048239 /nfs/dbraw/zinc/04/82/39/904048239.db2.gz GRJFANAGNATLDK-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001410227248 904048462 /nfs/dbraw/zinc/04/84/62/904048462.db2.gz RGBAVGFWFMDRFJ-SRVKXCTJSA-N 2 0 294.399 -0.560 20 0 CBADRP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001410279875 904055619 /nfs/dbraw/zinc/05/56/19/904055619.db2.gz FLZXVJGARPEMAL-VXGBXAGGSA-N 2 0 284.404 -0.456 20 0 CBADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001410329251 904066629 /nfs/dbraw/zinc/06/66/29/904066629.db2.gz WKLPWEOWFYSWFR-DGCLKSJQSA-N 2 0 296.415 -0.360 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410336833 904070427 /nfs/dbraw/zinc/07/04/27/904070427.db2.gz WGGGLHCKHOEXRM-CHWSQXEVSA-N 2 0 296.415 -0.489 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001410392372 904084799 /nfs/dbraw/zinc/08/47/99/904084799.db2.gz TYKJNZSAZQXHRD-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410478866 904106232 /nfs/dbraw/zinc/10/62/32/904106232.db2.gz ATONQEJTTINSPH-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@@H](CO)[NH2+]C[C@@H]2CCOC2)CCC1 ZINC001410652302 904150342 /nfs/dbraw/zinc/15/03/42/904150342.db2.gz JDLVKZHITVPNQZ-STQMWFEESA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@H](C(=O)NC[C@H](CO)[NH2+]CCO)[NH+]1CCCCCC1 ZINC001410732379 904173202 /nfs/dbraw/zinc/17/32/02/904173202.db2.gz SPHWOFWOECWNSC-CHWSQXEVSA-N 2 0 287.404 -0.690 20 0 CBADRP C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001410853727 904196003 /nfs/dbraw/zinc/19/60/03/904196003.db2.gz MPEHURQYCXEQON-WDEREUQCSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001410853721 904196114 /nfs/dbraw/zinc/19/61/14/904196114.db2.gz MPEHURQYCXEQON-MNOVXSKESA-N 2 0 282.388 -0.608 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001410865884 904199717 /nfs/dbraw/zinc/19/97/17/904199717.db2.gz OYTDSUFYBPJTOU-RYUDHWBXSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001410920389 904203991 /nfs/dbraw/zinc/20/39/91/904203991.db2.gz YIVZFZSCMHTVHB-SWLSCSKDSA-N 2 0 296.415 -0.203 20 0 CBADRP COCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C[C@H](C)O ZINC001411213309 904264143 /nfs/dbraw/zinc/26/41/43/904264143.db2.gz FOUNOMRFKVDCTH-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP CNC(=O)C[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001411251624 904273548 /nfs/dbraw/zinc/27/35/48/904273548.db2.gz CTBFXBLSMIKXCP-UHFFFAOYSA-N 2 0 284.404 -0.348 20 0 CBADRP C[C@@H]1CN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)CCN1CCO ZINC001412050448 904432638 /nfs/dbraw/zinc/43/26/38/904432638.db2.gz KYMADZXJQZUMRU-CHWSQXEVSA-N 2 0 287.379 -0.055 20 0 CBADRP CC(=O)[C@@](C)(O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC001412963419 904828421 /nfs/dbraw/zinc/82/84/21/904828421.db2.gz OBCHATLEKRLVPT-AWEZNQCLSA-N 2 0 271.405 -0.104 20 0 CBADRP CC[NH+]1CCN(CCC[NH2+]Cc2cnnn2C)CC1 ZINC001461053906 914847298 /nfs/dbraw/zinc/84/72/98/914847298.db2.gz HPJKAIZSXLHXDE-UHFFFAOYSA-N 2 0 266.393 -0.068 20 0 CBADRP CC[NH+]1CCC(C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)CC1 ZINC001413240402 904977273 /nfs/dbraw/zinc/97/72/73/904977273.db2.gz WGXRNHAFHSVIQE-RYUDHWBXSA-N 2 0 282.388 -0.763 20 0 CBADRP C[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+](C)C ZINC001413734448 905184535 /nfs/dbraw/zinc/18/45/35/905184535.db2.gz ZVPYTCJSIJVJFE-RYUDHWBXSA-N 2 0 271.409 -0.519 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001414933879 905527188 /nfs/dbraw/zinc/52/71/88/905527188.db2.gz IQCGVYSTOBUFAM-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001415259757 905592922 /nfs/dbraw/zinc/59/29/22/905592922.db2.gz YEQANDFQQICCMX-LBPRGKRZSA-N 2 0 286.420 -0.101 20 0 CBADRP CN(CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001415574087 905641478 /nfs/dbraw/zinc/64/14/78/905641478.db2.gz OXAWBRLJSMCWTO-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP CN(CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001415574088 905642706 /nfs/dbraw/zinc/64/27/06/905642706.db2.gz OXAWBRLJSMCWTO-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001415615730 905648658 /nfs/dbraw/zinc/64/86/58/905648658.db2.gz UWUGPFDGFAZAFD-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001415769015 905661986 /nfs/dbraw/zinc/66/19/86/905661986.db2.gz PLJQCBNFNVQVMS-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001415769016 905663306 /nfs/dbraw/zinc/66/33/06/905663306.db2.gz PLJQCBNFNVQVMS-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@H](C(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001416030290 905695578 /nfs/dbraw/zinc/69/55/78/905695578.db2.gz UFVGMKOSDLAEOW-OLZOCXBDSA-N 2 0 296.415 -0.252 20 0 CBADRP CC(C)[NH+](C)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001416821856 905810557 /nfs/dbraw/zinc/81/05/57/905810557.db2.gz PPGFRXMVTQUECU-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC001417808120 906059339 /nfs/dbraw/zinc/05/93/39/906059339.db2.gz QVTHKGCAUBZYEJ-NWDGAFQWSA-N 2 0 296.415 -0.312 20 0 CBADRP COC[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001418035840 906140893 /nfs/dbraw/zinc/14/08/93/906140893.db2.gz YZMJMBADTRMEDY-HZSPNIEDSA-N 2 0 299.415 -0.379 20 0 CBADRP CN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001418043139 906145670 /nfs/dbraw/zinc/14/56/70/906145670.db2.gz DPHIJNTWJURYSX-RYUDHWBXSA-N 2 0 282.388 -0.641 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001418052654 906152342 /nfs/dbraw/zinc/15/23/42/906152342.db2.gz ZNVNVIKSIBZTIP-MNOVXSKESA-N 2 0 270.377 -0.609 20 0 CBADRP CC[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1)C(N)=O ZINC001418065236 906153798 /nfs/dbraw/zinc/15/37/98/906153798.db2.gz UCXUJWTZTUTZPV-KKOKHZNYSA-N 2 0 284.404 -0.173 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001418090705 906165028 /nfs/dbraw/zinc/16/50/28/906165028.db2.gz YZCQUBLUEUEKRN-XQQFMLRXSA-N 2 0 296.415 -0.158 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001418114666 906172133 /nfs/dbraw/zinc/17/21/33/906172133.db2.gz UYTHKSSCBWIIJD-BETUJISGSA-N 2 0 296.415 -0.204 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001418107045 906173064 /nfs/dbraw/zinc/17/30/64/906173064.db2.gz BVFFOGYXVOEMIJ-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)[NH+](C)C ZINC001418112063 906173288 /nfs/dbraw/zinc/17/32/88/906173288.db2.gz ZECGBALSDYCXOC-FRRDWIJNSA-N 2 0 294.403 -0.145 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001418145118 906180016 /nfs/dbraw/zinc/18/00/16/906180016.db2.gz FTLGVSBRNSODEW-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H]([NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001418145134 906180710 /nfs/dbraw/zinc/18/07/10/906180710.db2.gz FTLGVSBRNSODEW-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H](C)C(N)=O ZINC001418232308 906230325 /nfs/dbraw/zinc/23/03/25/906230325.db2.gz CVUJDOVDCVLOSZ-ZJUUUORDSA-N 2 0 270.377 -0.561 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001418241453 906237005 /nfs/dbraw/zinc/23/70/05/906237005.db2.gz DMMXTXHYIVJELF-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCn1cncn1 ZINC001418270737 906246031 /nfs/dbraw/zinc/24/60/31/906246031.db2.gz WFURBHKAHKIDCN-LBPRGKRZSA-N 2 0 294.403 -0.286 20 0 CBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCn1cncn1 ZINC001418270735 906246595 /nfs/dbraw/zinc/24/65/95/906246595.db2.gz WFURBHKAHKIDCN-GFCCVEGCSA-N 2 0 294.403 -0.286 20 0 CBADRP C[C@H](O)C[NH2+][C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001418302830 906271440 /nfs/dbraw/zinc/27/14/40/906271440.db2.gz JVUUKYNJYLRSGB-RYUDHWBXSA-N 2 0 287.404 -0.428 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001418347031 906292429 /nfs/dbraw/zinc/29/24/29/906292429.db2.gz CDIUIRHJVUYMLF-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001418346894 906292649 /nfs/dbraw/zinc/29/26/49/906292649.db2.gz VFPULBJXQYXRPY-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001418352030 906295005 /nfs/dbraw/zinc/29/50/05/906295005.db2.gz GVTISDKOVSEWID-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001418431972 906319659 /nfs/dbraw/zinc/31/96/59/906319659.db2.gz QZULRXURJTWHMW-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP COC[C@H](O)C[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001418513241 906380208 /nfs/dbraw/zinc/38/02/08/906380208.db2.gz WFTUPYFHTNMFKK-QWHCGFSZSA-N 2 0 287.404 -0.617 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001418658445 906438193 /nfs/dbraw/zinc/43/81/93/906438193.db2.gz MQOUAQPHVCOJBK-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001418670599 906443750 /nfs/dbraw/zinc/44/37/50/906443750.db2.gz HAMKWKWIKSMPHY-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001418678746 906446930 /nfs/dbraw/zinc/44/69/30/906446930.db2.gz CIBDJKWTOJHQAR-SRVKXCTJSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001418701565 906449846 /nfs/dbraw/zinc/44/98/46/906449846.db2.gz KBIRWIPMIZSFRM-RNJOBUHISA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001418734645 906456906 /nfs/dbraw/zinc/45/69/06/906456906.db2.gz VKKRVKZWYNIFLF-GRYCIOLGSA-N 2 0 284.404 -0.314 20 0 CBADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H](C)C(N)=O ZINC001418728021 906459346 /nfs/dbraw/zinc/45/93/46/906459346.db2.gz CKHPTIGQPFPFAV-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001418817101 906484985 /nfs/dbraw/zinc/48/49/85/906484985.db2.gz QZAZVZKHTNVGCC-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001418813219 906485238 /nfs/dbraw/zinc/48/52/38/906485238.db2.gz VAALKZVFFKBJQC-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001418814231 906486690 /nfs/dbraw/zinc/48/66/90/906486690.db2.gz XPVYNRMCGWUFHM-LLVKDONJSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001418825930 906488631 /nfs/dbraw/zinc/48/86/31/906488631.db2.gz IKJBGMBRCPQHTR-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001418832128 906490080 /nfs/dbraw/zinc/49/00/80/906490080.db2.gz RCZJYOTZSNSEIT-NWDGAFQWSA-N 2 0 286.420 -0.149 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCn1cncn1 ZINC001419170523 906624908 /nfs/dbraw/zinc/62/49/08/906624908.db2.gz ALECAXUGVMXXEG-STQMWFEESA-N 2 0 294.403 -0.143 20 0 CBADRP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@@H](C)C(N)=O ZINC001419224712 906641429 /nfs/dbraw/zinc/64/14/29/906641429.db2.gz RVRHVCJZEIZETB-CMPLNLGQSA-N 2 0 284.404 -0.314 20 0 CBADRP O=C(NC[C@H]([NH2+]CCO)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001419249361 906647964 /nfs/dbraw/zinc/64/79/64/906647964.db2.gz ISXBUFCHRYEWAB-KGLIPLIRSA-N 2 0 281.400 -0.195 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]([NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001419286719 906656536 /nfs/dbraw/zinc/65/65/36/906656536.db2.gz YMZPJOYTRHZFPL-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001419304537 906658833 /nfs/dbraw/zinc/65/88/33/906658833.db2.gz CVPWZGFHKCSUCR-WCQYABFASA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]([NH2+]C[C@](C)(NC(=O)CC[NH+](C)C)C1CC1)C(N)=O ZINC001419355513 906669496 /nfs/dbraw/zinc/66/94/96/906669496.db2.gz SXRGOTWNYOQXKH-HZMBPMFUSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H]([NH2+]C[C@@](C)(NC(=O)CC[NH+](C)C)C1CC1)C(N)=O ZINC001419355518 906670581 /nfs/dbraw/zinc/67/05/81/906670581.db2.gz SXRGOTWNYOQXKH-QMTHXVAHSA-N 2 0 284.404 -0.314 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001419385361 906674332 /nfs/dbraw/zinc/67/43/32/906674332.db2.gz HPQDKAQFVJLXRD-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001419467099 906697346 /nfs/dbraw/zinc/69/73/46/906697346.db2.gz AMXZNIQFOUHBHN-PHIMTYICSA-N 2 0 279.344 -0.675 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001419472876 906698082 /nfs/dbraw/zinc/69/80/82/906698082.db2.gz AGFXIUGEYHLYFY-LOWVWBTDSA-N 2 0 284.404 -0.445 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001419498445 906704090 /nfs/dbraw/zinc/70/40/90/906704090.db2.gz UHANCAGGYSLMJB-CRWXNKLISA-N 2 0 299.415 -0.285 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1)[NH+](C)C ZINC001419493166 906704115 /nfs/dbraw/zinc/70/41/15/906704115.db2.gz LGRFPGZVZBHIBS-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001419490984 906705483 /nfs/dbraw/zinc/70/54/83/906705483.db2.gz JJROFXPLUNOACY-UPJWGTAASA-N 2 0 296.415 -0.299 20 0 CBADRP CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001419493912 906705773 /nfs/dbraw/zinc/70/57/73/906705773.db2.gz YUVQCAVCNIVOAW-GRYCIOLGSA-N 2 0 282.388 -0.594 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001419512209 906707208 /nfs/dbraw/zinc/70/72/08/906707208.db2.gz RJYBQGOGIPQSPI-TXEJJXNPSA-N 2 0 294.399 -0.593 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)[NH+](C)C ZINC001419513968 906709195 /nfs/dbraw/zinc/70/91/95/906709195.db2.gz IUWPDNNZDAOQGM-YVECIDJPSA-N 2 0 296.415 -0.158 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001419567106 906727491 /nfs/dbraw/zinc/72/74/91/906727491.db2.gz XXAIZDPCBDRAEK-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001419584843 906737874 /nfs/dbraw/zinc/73/78/74/906737874.db2.gz TWCMTEDSRRAENN-NSHDSACASA-N 2 0 270.377 -0.748 20 0 CBADRP CNC(=O)C[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001419680005 906764030 /nfs/dbraw/zinc/76/40/30/906764030.db2.gz FLJGDALUGJMIGT-UHFFFAOYSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCCN(C)C1=O)N(C)C(=O)CC[NH+](C)C ZINC001419702685 906775327 /nfs/dbraw/zinc/77/53/27/906775327.db2.gz CHUOWFCKMUMBCN-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NC1CC1 ZINC001419743768 906795668 /nfs/dbraw/zinc/79/56/68/906795668.db2.gz TYBXHRJWYDJYGV-DMDPSCGWSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NC1CC1 ZINC001419743775 906797219 /nfs/dbraw/zinc/79/72/19/906797219.db2.gz TYBXHRJWYDJYGV-NQBHXWOUSA-N 2 0 296.415 -0.301 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001419749335 906800823 /nfs/dbraw/zinc/80/08/23/906800823.db2.gz RVKCKJXEQIWBMM-STQMWFEESA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1cnnn1C ZINC001419765884 906809063 /nfs/dbraw/zinc/80/90/63/906809063.db2.gz BZRKAQMUKJTCQU-NSHDSACASA-N 2 0 294.403 -0.106 20 0 CBADRP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001419890331 906850566 /nfs/dbraw/zinc/85/05/66/906850566.db2.gz ATGNTXROJICWTM-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001419891722 906851700 /nfs/dbraw/zinc/85/17/00/906851700.db2.gz CNCWJDXDLWVVHP-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001419913401 906856432 /nfs/dbraw/zinc/85/64/32/906856432.db2.gz LSLQAEIOFFWJIH-WDEREUQCSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCn1cncn1 ZINC001419917576 906858746 /nfs/dbraw/zinc/85/87/46/906858746.db2.gz FUGYJSGWJOBVJZ-GFCCVEGCSA-N 2 0 280.376 -0.532 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cnnn1C ZINC001419934156 906865349 /nfs/dbraw/zinc/86/53/49/906865349.db2.gz JMZPUSNXWZYSJB-NSHDSACASA-N 2 0 282.392 -0.250 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001419955289 906871848 /nfs/dbraw/zinc/87/18/48/906871848.db2.gz QVOHANMLBUHKFH-NSHDSACASA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001419991766 906889635 /nfs/dbraw/zinc/88/96/35/906889635.db2.gz LFVCSGJAGFNVJD-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001420085344 906922338 /nfs/dbraw/zinc/92/23/38/906922338.db2.gz NNTLUFISYULBRS-VXGBXAGGSA-N 2 0 282.388 -0.558 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccccn1 ZINC001420108949 906944114 /nfs/dbraw/zinc/94/41/14/906944114.db2.gz MNVOYFTWEWSUMK-KBPBESRZSA-N 2 0 292.383 -0.258 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccccn1 ZINC001420108952 906944538 /nfs/dbraw/zinc/94/45/38/906944538.db2.gz MNVOYFTWEWSUMK-KGLIPLIRSA-N 2 0 292.383 -0.258 20 0 CBADRP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N1CCC1 ZINC001420125736 906956056 /nfs/dbraw/zinc/95/60/56/906956056.db2.gz QCPXTNUURYHGDP-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+][C@@H](C)C(N)=O ZINC001420124056 906956449 /nfs/dbraw/zinc/95/64/49/906956449.db2.gz GRZWJTXSAYOTOE-MNOVXSKESA-N 2 0 284.404 -0.314 20 0 CBADRP COC[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001420142385 906964196 /nfs/dbraw/zinc/96/41/96/906964196.db2.gz QFXGDZPZXOZAJU-NEPJUHHUSA-N 2 0 287.404 -0.428 20 0 CBADRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+][C@H](C)C(N)=O ZINC001420166996 906980087 /nfs/dbraw/zinc/98/00/87/906980087.db2.gz ZEAVICMMEMQERQ-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccn(C)n1)[NH+](C)C ZINC001420161707 906981391 /nfs/dbraw/zinc/98/13/91/906981391.db2.gz WJSZLMYNRYZCCB-CHWSQXEVSA-N 2 0 297.403 -0.673 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420247315 907044897 /nfs/dbraw/zinc/04/48/97/907044897.db2.gz DPHJQUZPMFWUPJ-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001420298990 907084448 /nfs/dbraw/zinc/08/44/48/907084448.db2.gz KIWMRNIHKVXEGT-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001420299346 907084485 /nfs/dbraw/zinc/08/44/85/907084485.db2.gz NQLRQBZYCHPIPV-GHMZBOCLSA-N 2 0 284.404 -0.301 20 0 CBADRP CCN1CC[C@@H]([N@H+](CC)CCNC(=O)CC[NH+](C)C)C1=O ZINC001420429425 907160098 /nfs/dbraw/zinc/16/00/98/907160098.db2.gz WVVNAQPJDWAZPE-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001420444585 907167575 /nfs/dbraw/zinc/16/75/75/907167575.db2.gz MSRYSXGOOVBKOV-QWRGUYRKSA-N 2 0 282.388 -0.417 20 0 CBADRP CCn1ncnc1CNC[C@H](C)NC(=O)CC[NH+](C)C ZINC001420465428 907175213 /nfs/dbraw/zinc/17/52/13/907175213.db2.gz WGZWTBCTZCMGRP-NSHDSACASA-N 2 0 282.392 -0.156 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)NC(=O)C[NH+]1CCC(C)CC1 ZINC001420479863 907177956 /nfs/dbraw/zinc/17/79/56/907177956.db2.gz UZYCUAHPJHGDND-NSHDSACASA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420509686 907189477 /nfs/dbraw/zinc/18/94/77/907189477.db2.gz FLNDBURUDKBBPC-RYUDHWBXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001420521441 907192802 /nfs/dbraw/zinc/19/28/02/907192802.db2.gz ZZEVBCKPXXCCBW-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001420535069 907198386 /nfs/dbraw/zinc/19/83/86/907198386.db2.gz DWUBUDKPXCEWDI-NEPJUHHUSA-N 2 0 282.388 -0.748 20 0 CBADRP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001420543198 907205818 /nfs/dbraw/zinc/20/58/18/907205818.db2.gz XKAYMFGAIDYTKV-LLVKDONJSA-N 2 0 270.377 -0.748 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001420571867 907219236 /nfs/dbraw/zinc/21/92/36/907219236.db2.gz ZPQJZJREENETPO-NEPJUHHUSA-N 2 0 282.388 -0.748 20 0 CBADRP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001420711478 907275561 /nfs/dbraw/zinc/27/55/61/907275561.db2.gz CRYMZRVGUKEBFW-NWDGAFQWSA-N 2 0 282.388 -0.641 20 0 CBADRP CN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)C[NH+]1CCCC1 ZINC001420741618 907290378 /nfs/dbraw/zinc/29/03/78/907290378.db2.gz IWZWRWKDBSPXSX-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP CC[C@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001420779298 907299373 /nfs/dbraw/zinc/29/93/73/907299373.db2.gz DQOHALOPMDMXGG-GHMZBOCLSA-N 2 0 270.377 -0.704 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001420788383 907300184 /nfs/dbraw/zinc/30/01/84/907300184.db2.gz CMPRXCBVWLHSMB-DGCLKSJQSA-N 2 0 284.404 -0.458 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)[C@H]2CCNC2=O)C1 ZINC001420952282 907370506 /nfs/dbraw/zinc/37/05/06/907370506.db2.gz WXQJNBZLANWNDG-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[C@H](C(=O)NCC1([NH2+]CC(=O)NC2CC2)CC1)[NH+](C)C ZINC001420953948 907373064 /nfs/dbraw/zinc/37/30/64/907373064.db2.gz MEYQCPJBBWHGCB-GFCCVEGCSA-N 2 0 296.415 -0.156 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]CC(=O)N2CCC2)CC1 ZINC001420996576 907389432 /nfs/dbraw/zinc/38/94/32/907389432.db2.gz YEIJJFKWZNPBFI-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP CN1CC[C@@H]([NH2+]C2(CNC(=O)C[NH+]3CCCC3)CC2)C1=O ZINC001421005197 907390918 /nfs/dbraw/zinc/39/09/18/907390918.db2.gz WCGJFCCNCKUKNI-GFCCVEGCSA-N 2 0 294.399 -0.449 20 0 CBADRP CC[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1)C(N)=O ZINC001421124905 907437942 /nfs/dbraw/zinc/43/79/42/907437942.db2.gz KBYYPHYUEPJBTA-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@](C)(C[NH2+][C@H]2CCNC2=O)C1 ZINC001421249026 907474680 /nfs/dbraw/zinc/47/46/80/907474680.db2.gz JYSJRUSTMBFDOB-SWLSCSKDSA-N 2 0 296.415 -0.345 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001421252428 907475879 /nfs/dbraw/zinc/47/58/79/907475879.db2.gz RFNKXLZHFQGRIV-OAHLLOKOSA-N 2 0 298.431 -0.098 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CC[NH+](CC3CC3)C2)C1 ZINC001421383973 907514533 /nfs/dbraw/zinc/51/45/33/907514533.db2.gz DIEMDDOPPRQIKZ-UKRRQHHQSA-N 2 0 281.400 -0.099 20 0 CBADRP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]CC(=O)NC ZINC001421422030 907538246 /nfs/dbraw/zinc/53/82/46/907538246.db2.gz YSIIWMHDRQKYNH-YPMHNXCESA-N 2 0 286.420 -0.197 20 0 CBADRP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001421425071 907541730 /nfs/dbraw/zinc/54/17/30/907541730.db2.gz YJLSJTVIHPQVQX-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N1CCC1 ZINC001421443739 907547685 /nfs/dbraw/zinc/54/76/85/907547685.db2.gz RLTXXCQWAGRJPT-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001502074493 921334116 /nfs/dbraw/zinc/33/41/16/921334116.db2.gz INPYBONLZUGQKN-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001421570352 907581274 /nfs/dbraw/zinc/58/12/74/907581274.db2.gz HZQOFAMLPZLQCB-UTUOFQBUSA-N 2 0 282.388 -0.798 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001502087866 921337238 /nfs/dbraw/zinc/33/72/38/921337238.db2.gz UBKGSPSDYQYNNR-OLZOCXBDSA-N 2 0 297.399 -0.720 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001421759609 907635700 /nfs/dbraw/zinc/63/57/00/907635700.db2.gz OMRWNQQAMCJKMM-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1nncn1C ZINC001421765373 907636980 /nfs/dbraw/zinc/63/69/80/907636980.db2.gz FTJGXBRKWMAPJV-RYUDHWBXSA-N 2 0 294.403 -0.391 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001421766987 907637914 /nfs/dbraw/zinc/63/79/14/907637914.db2.gz RAOHEQUFYBYMEN-NSHDSACASA-N 2 0 282.388 -0.416 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)N(C)C(=O)CC[NH+](C)C ZINC001421924096 907682980 /nfs/dbraw/zinc/68/29/80/907682980.db2.gz CAMWOLDCUVMJFD-NEPJUHHUSA-N 2 0 286.420 -0.149 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H](C)C1 ZINC001422029812 907702007 /nfs/dbraw/zinc/70/20/07/907702007.db2.gz MJVHITCFRUOAQF-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]([NH2+][C@@H]1CCNC1=O)C(C)C ZINC001422128096 907721764 /nfs/dbraw/zinc/72/17/64/907721764.db2.gz BQPLCDQUPFHNJK-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP COC[C@H](O)C[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001422273234 907772680 /nfs/dbraw/zinc/77/26/80/907772680.db2.gz DRECABHMZOOHDK-JXQTWKCFSA-N 2 0 299.415 -0.426 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001422390307 907839621 /nfs/dbraw/zinc/83/96/21/907839621.db2.gz QYIWUZNDRGELRG-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP Cc1oncc1C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC001422416569 907848207 /nfs/dbraw/zinc/84/82/07/907848207.db2.gz MDYYUNQODFDTQE-ZDUSSCGKSA-N 2 0 298.387 -0.110 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC)C1 ZINC001422543891 907915405 /nfs/dbraw/zinc/91/54/05/907915405.db2.gz MDODZLYIABPXAZ-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001422555551 907920664 /nfs/dbraw/zinc/92/06/64/907920664.db2.gz ZPSBULUDULEPQH-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NC)[NH+](C)C ZINC001422554979 907921085 /nfs/dbraw/zinc/92/10/85/907921085.db2.gz YGDMAIDXUCTYJL-MXWKQRLJSA-N 2 0 272.393 -0.445 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NC ZINC001422587691 907935757 /nfs/dbraw/zinc/93/57/57/907935757.db2.gz YHSLJESTCCNOCZ-GHMZBOCLSA-N 2 0 272.393 -0.443 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001422592151 907936210 /nfs/dbraw/zinc/93/62/10/907936210.db2.gz YPGDQPNUALEMNR-SNVBAGLBSA-N 2 0 298.391 -0.956 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)[N@H+](C)CCO ZINC001422603945 907940490 /nfs/dbraw/zinc/94/04/90/907940490.db2.gz QRAHBHXOSZVZNP-OLZOCXBDSA-N 2 0 287.404 -0.617 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001422632030 907953434 /nfs/dbraw/zinc/95/34/34/907953434.db2.gz NUYMAIBJMHGQPD-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001422646956 907965013 /nfs/dbraw/zinc/96/50/13/907965013.db2.gz BVLFLALHCKFEOA-AAEUAGOBSA-N 2 0 296.415 -0.441 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001422693961 907977220 /nfs/dbraw/zinc/97/72/20/907977220.db2.gz AIHQKFJYBBKTSW-TUAOUCFPSA-N 2 0 286.420 -0.102 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001422705694 907978660 /nfs/dbraw/zinc/97/86/60/907978660.db2.gz YMSVDKKVXOPRHC-TUAOUCFPSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001422705690 907981279 /nfs/dbraw/zinc/98/12/79/907981279.db2.gz YMSVDKKVXOPRHC-SRVKXCTJSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001422733304 907988348 /nfs/dbraw/zinc/98/83/48/907988348.db2.gz ZFMYPSDGNLPMOD-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@](CO)([NH2+]CCF)C1 ZINC001502586759 921370474 /nfs/dbraw/zinc/37/04/74/921370474.db2.gz SXINQXQHQXWPBX-ZDUSSCGKSA-N 2 0 275.368 -0.149 20 0 CBADRP C[NH+]1CCC(C(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)CC1 ZINC001502586269 921371574 /nfs/dbraw/zinc/37/15/74/921371574.db2.gz IWFORASMDUWYRI-OAHLLOKOSA-N 2 0 299.415 -0.736 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@](CO)([NH2+]CCF)C1 ZINC001502586758 921371769 /nfs/dbraw/zinc/37/17/69/921371769.db2.gz SXINQXQHQXWPBX-CYBMUJFWSA-N 2 0 275.368 -0.149 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[NH+](C)C ZINC001422858139 908038842 /nfs/dbraw/zinc/03/88/42/908038842.db2.gz XLBHNBVQIOOHEL-YIYPIFLZSA-N 2 0 283.416 -0.141 20 0 CBADRP C[C@@H](C[N@H+](C)[C@@H]1CCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001422889663 908047068 /nfs/dbraw/zinc/04/70/68/908047068.db2.gz VJJWAPNLYDFYTE-NWDGAFQWSA-N 2 0 284.404 -0.395 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001422896902 908050800 /nfs/dbraw/zinc/05/08/00/908050800.db2.gz VSWRVRJQNBKVNN-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001422986887 908068590 /nfs/dbraw/zinc/06/85/90/908068590.db2.gz MSSXIEJFRFRPMJ-STQMWFEESA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1)C(N)=O ZINC001423060206 908092676 /nfs/dbraw/zinc/09/26/76/908092676.db2.gz NKQVWINWYKPIBK-ZYHUDNBSSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H]([NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1)C(N)=O ZINC001423060188 908094340 /nfs/dbraw/zinc/09/43/40/908094340.db2.gz NKQVWINWYKPIBK-CMPLNLGQSA-N 2 0 282.388 -0.560 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001423078971 908101844 /nfs/dbraw/zinc/10/18/44/908101844.db2.gz PEFSJBNPKAXXJQ-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP CCCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001423173149 908128211 /nfs/dbraw/zinc/12/82/11/908128211.db2.gz YYPPFIIDFWEQRX-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1)C(N)=O ZINC001423224696 908167955 /nfs/dbraw/zinc/16/79/55/908167955.db2.gz FPDHKNQOKHCJGD-WDEREUQCSA-N 2 0 282.388 -0.417 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccnn1C)[NH+](C)C ZINC001423267340 908182197 /nfs/dbraw/zinc/18/21/97/908182197.db2.gz SSDVUYYZJXMZPZ-AAEUAGOBSA-N 2 0 297.403 -0.673 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1([NH2+][C@@H](C)C(=O)NC)CC1 ZINC001423288234 908191579 /nfs/dbraw/zinc/19/15/79/908191579.db2.gz HUOAZPSCSMTAHA-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP CO[C@H](C)C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001423293901 908195331 /nfs/dbraw/zinc/19/53/31/908195331.db2.gz JJBHELPIELVHSE-VXGBXAGGSA-N 2 0 285.388 -0.816 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001423332084 908205130 /nfs/dbraw/zinc/20/51/30/908205130.db2.gz VKOACPGFGAKGGJ-WDEREUQCSA-N 2 0 270.377 -0.737 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001423464685 908247180 /nfs/dbraw/zinc/24/71/80/908247180.db2.gz MNLXEKWFHPFFJH-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)[C@H]1CCCC[NH+]1C ZINC001423522775 908268723 /nfs/dbraw/zinc/26/87/23/908268723.db2.gz XJXJOSGOFLPWTG-CHWSQXEVSA-N 2 0 287.404 -0.786 20 0 CBADRP C[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001423530766 908273994 /nfs/dbraw/zinc/27/39/94/908273994.db2.gz HQKNDEKTHDEHPW-QWHCGFSZSA-N 2 0 299.415 -0.786 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C)CC1 ZINC001423625676 908295443 /nfs/dbraw/zinc/29/54/43/908295443.db2.gz RAYIKYGAIJKCSQ-GFCCVEGCSA-N 2 0 298.431 -0.066 20 0 CBADRP COCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001423746951 908321002 /nfs/dbraw/zinc/32/10/02/908321002.db2.gz YBHXIOQCGKHMQC-GXTWGEPZSA-N 2 0 285.388 -0.720 20 0 CBADRP CO[C@@H](C)CN1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001423914476 908368549 /nfs/dbraw/zinc/36/85/49/908368549.db2.gz VPCLWGBLSBHQOE-LBPRGKRZSA-N 2 0 287.404 -0.476 20 0 CBADRP CO[C@H](C)CN1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001423914458 908369167 /nfs/dbraw/zinc/36/91/67/908369167.db2.gz VPCLWGBLSBHQOE-GFCCVEGCSA-N 2 0 287.404 -0.476 20 0 CBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)NC(=O)Cc1c[nH]cn1 ZINC001423980467 908376905 /nfs/dbraw/zinc/37/69/05/908376905.db2.gz WLRIFXQOPDFXTG-GHMZBOCLSA-N 2 0 295.387 -0.087 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001424414633 908456800 /nfs/dbraw/zinc/45/68/00/908456800.db2.gz RTEIRTOMIKKZSD-HIFRSBDPSA-N 2 0 299.415 -0.594 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001424492013 908464422 /nfs/dbraw/zinc/46/44/22/908464422.db2.gz UMHIVWDNADBXQP-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001424488961 908464484 /nfs/dbraw/zinc/46/44/84/908464484.db2.gz UDUZNNZJDPTXIH-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)[C@H]1CCC[NH+]1C ZINC001503854290 921412793 /nfs/dbraw/zinc/41/27/93/921412793.db2.gz TZEDDLNPLCUJLD-RWMBFGLXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H](O)C[NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001424747890 908496634 /nfs/dbraw/zinc/49/66/34/908496634.db2.gz FFDIUEYCWZZSFN-HIFPTAJRSA-N 2 0 281.400 -0.053 20 0 CBADRP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]CC(N)=O ZINC001424796107 908509816 /nfs/dbraw/zinc/50/98/16/908509816.db2.gz XDQIMSKHHAITJW-WDEREUQCSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001424839533 908517290 /nfs/dbraw/zinc/51/72/90/908517290.db2.gz JJDQRTVEIJNTHE-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)CCCC(=O)NC1(CO)CC[NH+](CCO)CC1 ZINC001505386261 921416692 /nfs/dbraw/zinc/41/66/92/921416692.db2.gz JFGBVGWGNJGLJV-UHFFFAOYSA-N 2 0 287.404 -0.736 20 0 CBADRP COC[C@@H](O)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001425062844 908563380 /nfs/dbraw/zinc/56/33/80/908563380.db2.gz COIYKTVZJGQNLF-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001425166747 908580406 /nfs/dbraw/zinc/58/04/06/908580406.db2.gz VGRUQJGIPMIPOV-CHWSQXEVSA-N 2 0 298.431 -0.114 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001425316847 908616535 /nfs/dbraw/zinc/61/65/35/908616535.db2.gz AOZFXPLHTAQIIB-LPWJVIDDSA-N 2 0 296.415 -0.633 20 0 CBADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001425414026 908643948 /nfs/dbraw/zinc/64/39/48/908643948.db2.gz MKDJZLUNFQFCIJ-SRVKXCTJSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+]CC(=O)N(C)C ZINC001425580606 908677192 /nfs/dbraw/zinc/67/71/92/908677192.db2.gz PUZUMIOVJKUSLV-LBPRGKRZSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001425663046 908687883 /nfs/dbraw/zinc/68/78/83/908687883.db2.gz PQONOSBZOGEFIP-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001425683522 908690249 /nfs/dbraw/zinc/69/02/49/908690249.db2.gz OEPXLXHVUKXGMW-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001425678023 908690749 /nfs/dbraw/zinc/69/07/49/908690749.db2.gz CWJCBGMSHVHZTI-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP O=C(NC[C@H](CO)[NH2+]CCO)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001425751196 908724743 /nfs/dbraw/zinc/72/47/43/908724743.db2.gz IVAPVLIYUJSSOK-TZMCWYRMSA-N 2 0 299.415 -0.548 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]Cc1cccnc1 ZINC001425801371 908745103 /nfs/dbraw/zinc/74/51/03/908745103.db2.gz DTNSKHIJUGRZPF-CYBMUJFWSA-N 2 0 280.372 -0.400 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001425809414 908747195 /nfs/dbraw/zinc/74/71/95/908747195.db2.gz QFVVFPUJYJRBSX-VXGBXAGGSA-N 2 0 273.377 -0.959 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cccnc2)C1 ZINC001425844981 908763018 /nfs/dbraw/zinc/76/30/18/908763018.db2.gz VPQJVZMZMHYWFQ-KGLIPLIRSA-N 2 0 292.383 -0.400 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]CC1CCOCC1 ZINC001425853245 908766616 /nfs/dbraw/zinc/76/66/16/908766616.db2.gz NOBZKRKDCLZRSX-CQSZACIVSA-N 2 0 299.415 -0.425 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001425917560 908781893 /nfs/dbraw/zinc/78/18/93/908781893.db2.gz ONPLISFYZCBUSY-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)NC)C(C)(C)C1 ZINC001425970738 908790877 /nfs/dbraw/zinc/79/08/77/908790877.db2.gz JNGMOXVXDSDYDW-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]CC(N)=O ZINC001505678616 921464550 /nfs/dbraw/zinc/46/45/50/921464550.db2.gz PEZUYARUBZBOBN-UWVGGRQHSA-N 2 0 258.366 -0.704 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001430097524 909289269 /nfs/dbraw/zinc/28/92/69/909289269.db2.gz YCPSYRQPCBLKLK-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001431692926 909526198 /nfs/dbraw/zinc/52/61/98/909526198.db2.gz JSRUGJFFWZAVFT-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001433663396 909805007 /nfs/dbraw/zinc/80/50/07/909805007.db2.gz VJCJRMBZKGHTBV-OLZOCXBDSA-N 2 0 296.415 -0.408 20 0 CBADRP O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001434385332 910142073 /nfs/dbraw/zinc/14/20/73/910142073.db2.gz PBKKRDBCFAQXQE-JSGCOSHPSA-N 2 0 295.383 -0.704 20 0 CBADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC001434472717 910210894 /nfs/dbraw/zinc/21/08/94/910210894.db2.gz KGHGGQZGSCJVBY-GFCCVEGCSA-N 2 0 296.415 -0.488 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001436877133 910499559 /nfs/dbraw/zinc/49/95/59/910499559.db2.gz LDKFONCWFIOSNH-QWRGUYRKSA-N 2 0 270.377 -0.737 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001437016635 910527133 /nfs/dbraw/zinc/52/71/33/910527133.db2.gz VSQGHXNIPXOMJG-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)N(C)C ZINC001437198739 910583834 /nfs/dbraw/zinc/58/38/34/910583834.db2.gz JAFVKBASQYOXPF-LLVKDONJSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCN1CCNC1=O ZINC001437263153 910601656 /nfs/dbraw/zinc/60/16/56/910601656.db2.gz RKGSDQJHJMPDLB-NWDGAFQWSA-N 2 0 297.403 -0.942 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001437312157 910614926 /nfs/dbraw/zinc/61/49/26/910614926.db2.gz NWHPAQYQLJBORF-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001437334709 910619441 /nfs/dbraw/zinc/61/94/41/910619441.db2.gz YAPIMZPRZZFTQV-ZIAGYGMSSA-N 2 0 299.415 -0.472 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001437380479 910624788 /nfs/dbraw/zinc/62/47/88/910624788.db2.gz LBVLPITXUCUYBZ-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CCNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001437396345 910626438 /nfs/dbraw/zinc/62/64/38/910626438.db2.gz HFASFTYUETZQJC-WDEREUQCSA-N 2 0 284.404 -0.314 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCN(C)[C@@H]1CCNC1=O ZINC001437546893 910683631 /nfs/dbraw/zinc/68/36/31/910683631.db2.gz BPZUGVVEEVMJCV-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCN(C)[C@H]1CCNC1=O ZINC001437546899 910684108 /nfs/dbraw/zinc/68/41/08/910684108.db2.gz BPZUGVVEEVMJCV-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH+](CC)[C@H]1CCN(C)C1=O ZINC001437640736 910705943 /nfs/dbraw/zinc/70/59/43/910705943.db2.gz SYCSRLYNNZKMTM-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001437724432 910731917 /nfs/dbraw/zinc/73/19/17/910731917.db2.gz RJOZIQLMFXHLPA-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP CCN(C)C(=O)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001437724430 910735852 /nfs/dbraw/zinc/73/58/52/910735852.db2.gz RJOZIQLMFXHLPA-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001437935144 910778375 /nfs/dbraw/zinc/77/83/75/910778375.db2.gz AFAPFMLDKUZVPI-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001438381257 910886748 /nfs/dbraw/zinc/88/67/48/910886748.db2.gz WPHQUYFRSNXGCL-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001438420836 910891184 /nfs/dbraw/zinc/89/11/84/910891184.db2.gz QYBIPGRGSWRSBJ-RISCZKNCSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H]1CCNC1=O ZINC001438524474 910911217 /nfs/dbraw/zinc/91/12/17/910911217.db2.gz WCKHZCKONMLDEE-WDEREUQCSA-N 2 0 270.377 -0.832 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001438553752 910915265 /nfs/dbraw/zinc/91/52/65/910915265.db2.gz QNEFYCUPKPGIIW-LBPRGKRZSA-N 2 0 286.420 -0.243 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001438549490 910915820 /nfs/dbraw/zinc/91/58/20/910915820.db2.gz GANILROUTDNLBL-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001438545757 910916675 /nfs/dbraw/zinc/91/66/75/910916675.db2.gz QWGRXTZDOJMJDG-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[N@H+](CC(=O)NC[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21)C1CCC1 ZINC001506796964 921617796 /nfs/dbraw/zinc/61/77/96/921617796.db2.gz WGGHYBMUDLNPGA-XYYAHUGASA-N 2 0 294.399 -0.750 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001438650599 910947366 /nfs/dbraw/zinc/94/73/66/910947366.db2.gz ZYRSWDFFQXKLNF-PWSUYJOCSA-N 2 0 282.388 -0.750 20 0 CBADRP CC(C)[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@H]1CCNC1=O ZINC001438815106 910973331 /nfs/dbraw/zinc/97/33/31/910973331.db2.gz VLAQFQOUIVDMJA-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP COC[C@H](C)[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001438994058 911047622 /nfs/dbraw/zinc/04/76/22/911047622.db2.gz ANBCFJTZOFWPSI-STQMWFEESA-N 2 0 299.415 -0.284 20 0 CBADRP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)C[N@H+](C)C1CCC1 ZINC001439076293 911086538 /nfs/dbraw/zinc/08/65/38/911086538.db2.gz XNRXQFKSQGVMLK-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001439083912 911096145 /nfs/dbraw/zinc/09/61/45/911096145.db2.gz MDXAVIVUWANGJZ-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001506885051 921633691 /nfs/dbraw/zinc/63/36/91/921633691.db2.gz JFDQVKBIFKIUPB-AVGNSLFASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)C[N@H+](C)C1CCC1 ZINC001439118496 911110363 /nfs/dbraw/zinc/11/03/63/911110363.db2.gz FNZAXXYZHGPNFS-LLVKDONJSA-N 2 0 294.403 -0.106 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCCNC1=O)[NH+](C)C ZINC001439151044 911119176 /nfs/dbraw/zinc/11/91/76/911119176.db2.gz VDFRFIQGODHBJU-JHJVBQTASA-N 2 0 298.431 -0.055 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)CC)[NH+](C)C ZINC001439169544 911126123 /nfs/dbraw/zinc/12/61/23/911126123.db2.gz YKWKUKFTOQNDMV-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001506895876 921636061 /nfs/dbraw/zinc/63/60/61/921636061.db2.gz FKQKSFSTOKTRGK-JHJVBQTASA-N 2 0 298.431 -0.101 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001506896382 921636801 /nfs/dbraw/zinc/63/68/01/921636801.db2.gz NFRVQTYQILQLHL-IJLUTSLNSA-N 2 0 282.388 -0.689 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001439229151 911150579 /nfs/dbraw/zinc/15/05/79/911150579.db2.gz YTSKYEHVTCVDQS-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001439246430 911155736 /nfs/dbraw/zinc/15/57/36/911155736.db2.gz SIPYDNAOWNCVGG-JQWIXIFHSA-N 2 0 282.388 -0.689 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001506906042 921638478 /nfs/dbraw/zinc/63/84/78/921638478.db2.gz NNDRRBSLXUJDMT-IHRRRGAJSA-N 2 0 299.415 -0.569 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001439268044 911162030 /nfs/dbraw/zinc/16/20/30/911162030.db2.gz GBANBHAZNIOLEZ-LBPRGKRZSA-N 2 0 294.399 -0.591 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001506904155 921638935 /nfs/dbraw/zinc/63/89/35/921638935.db2.gz SVHOSZKHPORXQO-IJLUTSLNSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001439454970 911211568 /nfs/dbraw/zinc/21/15/68/911211568.db2.gz JOLPYSVVBROEIR-ZDUSSCGKSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](CCC[NH2+][C@@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001506935840 921644696 /nfs/dbraw/zinc/64/46/96/921644696.db2.gz FBSGRABASTWIPB-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@@H](C(=O)NCC1([NH2+]CC(=O)N2CCC2)CC1)[NH+](C)C ZINC001439647808 911264927 /nfs/dbraw/zinc/26/49/27/911264927.db2.gz WDVKXDYGKDDSQV-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+][C@H](C)C(N)=O ZINC001439782051 911286808 /nfs/dbraw/zinc/28/68/08/911286808.db2.gz GBRMOMHPMZVILQ-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001440010363 911340109 /nfs/dbraw/zinc/34/01/09/911340109.db2.gz MOLLSXVRZZBMJI-IUODEOHRSA-N 2 0 299.415 -0.738 20 0 CBADRP C[C@@H](O)CN1CC(O)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001440053970 911369305 /nfs/dbraw/zinc/36/93/05/911369305.db2.gz DWGTVSJSRXWOBH-CHWSQXEVSA-N 2 0 299.415 -0.596 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCN2CCC([NH2+]CCO)CC2)C1 ZINC001440157108 911391998 /nfs/dbraw/zinc/39/19/98/911391998.db2.gz JUMYYISFJOESNA-CYBMUJFWSA-N 2 0 298.431 -0.899 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001440359169 911437786 /nfs/dbraw/zinc/43/77/86/911437786.db2.gz SFBIFYOTBUJSOE-FDYHWXHSSA-N 2 0 296.415 -0.301 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001440373713 911440262 /nfs/dbraw/zinc/44/02/62/911440262.db2.gz XNLUCVPOWUWNEY-JOCQHMNTSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001440417548 911447069 /nfs/dbraw/zinc/44/70/69/911447069.db2.gz CGQCCXKEKKSZJV-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP C[N@H+](CC(=O)N1CCC(C)([NH2+]CC(N)=O)CC1)C1CCC1 ZINC001440599104 911479650 /nfs/dbraw/zinc/47/96/50/911479650.db2.gz PRQJREDCEDXSFH-UHFFFAOYSA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC2(CC1)C[N@H+](CCO)CCO2 ZINC001440690295 911492493 /nfs/dbraw/zinc/49/24/93/911492493.db2.gz HAHCUJIHRYQJRE-UHFFFAOYSA-N 2 0 299.415 -0.376 20 0 CBADRP C[N@H+](CC(=O)NC1(CO)CC[NH+](CCO)CC1)C1CCC1 ZINC001440693676 911495691 /nfs/dbraw/zinc/49/56/91/911495691.db2.gz GFZUIRKHZYCCEB-UHFFFAOYSA-N 2 0 299.415 -0.594 20 0 CBADRP CNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001440753724 911503322 /nfs/dbraw/zinc/50/33/22/911503322.db2.gz POVOEUJWKNDSGJ-IKWCTNDRSA-N 2 0 296.415 -0.443 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001440828299 911524364 /nfs/dbraw/zinc/52/43/64/911524364.db2.gz GTFXZQUIFKDWQN-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001440828294 911525296 /nfs/dbraw/zinc/52/52/96/911525296.db2.gz GTFXZQUIFKDWQN-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001441199774 911620796 /nfs/dbraw/zinc/62/07/96/911620796.db2.gz FEKDLLJXYXJYJH-VXGBXAGGSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)CC1 ZINC001441236533 911631467 /nfs/dbraw/zinc/63/14/67/911631467.db2.gz BINHOTFJKZXBBM-NSHDSACASA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCO ZINC001507110535 921679309 /nfs/dbraw/zinc/67/93/09/921679309.db2.gz NHNKGFGCXOYIQO-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001441274773 911637429 /nfs/dbraw/zinc/63/74/29/911637429.db2.gz BTHXXEVFVKQQKW-FIQHERPVSA-N 2 0 282.388 -0.894 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001441365081 911652075 /nfs/dbraw/zinc/65/20/75/911652075.db2.gz LFFUMCRFCZEKPP-JOCQHMNTSA-N 2 0 296.415 -0.168 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001441398529 911661802 /nfs/dbraw/zinc/66/18/02/911661802.db2.gz NBGZWIOLINDHFG-FDYHWXHSSA-N 2 0 296.415 -0.158 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001441422423 911666380 /nfs/dbraw/zinc/66/63/80/911666380.db2.gz VRLZBPXMTXTMPM-CYDGBPFRSA-N 2 0 298.431 -0.056 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001441483930 911682359 /nfs/dbraw/zinc/68/23/59/911682359.db2.gz BUVMSBWDDJODEN-UTUOFQBUSA-N 2 0 296.415 -0.158 20 0 CBADRP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1cnnn1C ZINC001441659633 911729947 /nfs/dbraw/zinc/72/99/47/911729947.db2.gz QHONRHJNGQIZMS-GFCCVEGCSA-N 2 0 294.403 -0.153 20 0 CBADRP C[C@@H](O)C[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001507152531 921691765 /nfs/dbraw/zinc/69/17/65/921691765.db2.gz CMFYYLHXADEICI-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001441771458 911795106 /nfs/dbraw/zinc/79/51/06/911795106.db2.gz WYYVUGVXCLJASJ-OLZOCXBDSA-N 2 0 287.404 -0.692 20 0 CBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@@H](C)C(N)=O ZINC001441937140 911860786 /nfs/dbraw/zinc/86/07/86/911860786.db2.gz KMISLZINEBGNRK-ZJUUUORDSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H]1CCN(C)C1=O ZINC001442005610 911890783 /nfs/dbraw/zinc/89/07/83/911890783.db2.gz GCPTZHXFWLGBRO-NEPJUHHUSA-N 2 0 294.399 -0.593 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001442016798 911893083 /nfs/dbraw/zinc/89/30/83/911893083.db2.gz YMLBOUDZXGPEHC-QWRGUYRKSA-N 2 0 272.393 -0.443 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCCNC1=O ZINC001442042759 911903447 /nfs/dbraw/zinc/90/34/47/911903447.db2.gz DJPJWYZRTMWTDX-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)[NH2+]CCO ZINC001442044079 911903599 /nfs/dbraw/zinc/90/35/99/911903599.db2.gz FCJGBSRUCSROFA-NEPJUHHUSA-N 2 0 273.377 -0.959 20 0 CBADRP NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001442121118 911931893 /nfs/dbraw/zinc/93/18/93/911931893.db2.gz IFTPBGKSQYYRNX-WCQYABFASA-N 2 0 294.399 -0.748 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001442146728 911938677 /nfs/dbraw/zinc/93/86/77/911938677.db2.gz PTCSCTJYJAXWMY-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001442164378 911943256 /nfs/dbraw/zinc/94/32/56/911943256.db2.gz ZNEYEKBJMBHVAV-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@@H]1CCN(C)C1=O ZINC001442293265 911963420 /nfs/dbraw/zinc/96/34/20/911963420.db2.gz YGXIZVXHMYAGST-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001442336866 911974624 /nfs/dbraw/zinc/97/46/24/911974624.db2.gz HDFPYHHVFYQYJS-WDEREUQCSA-N 2 0 295.391 -0.854 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001443073400 912148152 /nfs/dbraw/zinc/14/81/52/912148152.db2.gz DHUXPOMKYBDXEG-IJLUTSLNSA-N 2 0 284.404 -0.491 20 0 CBADRP CN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001443090029 912151304 /nfs/dbraw/zinc/15/13/04/912151304.db2.gz IOIPROSBISUOCF-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP CN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001443093677 912155674 /nfs/dbraw/zinc/15/56/74/912155674.db2.gz AWYLFWZOFNCOHP-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001443100310 912156925 /nfs/dbraw/zinc/15/69/25/912156925.db2.gz UDVUFXOKIDAZCP-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP Cc1c(C(=O)NC[C@H](CO)[NH2+]CCO)ccc2c[nH+]cn21 ZINC001507212160 921748286 /nfs/dbraw/zinc/74/82/86/921748286.db2.gz RORXNSIHEMHGIQ-LLVKDONJSA-N 2 0 292.339 -0.685 20 0 CBADRP C[N@H+](CC(=O)NC12CC[NH+](CC1)C2)[C@@H]1CCC[C@H]1O ZINC001471078714 915551147 /nfs/dbraw/zinc/55/11/47/915551147.db2.gz NKSMOGYFYFCINU-VXGBXAGGSA-N 2 0 267.373 -0.204 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]C[C@@H]1CCCCO1 ZINC001507259188 921787657 /nfs/dbraw/zinc/78/76/57/921787657.db2.gz CSQIKFHBYFIFEP-KBPBESRZSA-N 2 0 299.415 -0.282 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001472079769 915686416 /nfs/dbraw/zinc/68/64/16/915686416.db2.gz AZMTXEINPYJCJE-OLZOCXBDSA-N 2 0 297.399 -0.456 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001472079768 915686908 /nfs/dbraw/zinc/68/69/08/915686908.db2.gz AZMTXEINPYJCJE-CHWSQXEVSA-N 2 0 297.399 -0.456 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCOC2CCC2)C1 ZINC001507261410 921792251 /nfs/dbraw/zinc/79/22/51/921792251.db2.gz SBTMXZSQOLVZTG-OLZOCXBDSA-N 2 0 299.415 -0.426 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC001472626944 915756831 /nfs/dbraw/zinc/75/68/31/915756831.db2.gz OGZJDKKTZCLYJJ-KGLIPLIRSA-N 2 0 280.416 -0.023 20 0 CBADRP CC(=O)[C@@](C)(O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC001473523271 915826240 /nfs/dbraw/zinc/82/62/40/915826240.db2.gz HQOKLXLIBYSMDH-HNNXBMFYSA-N 2 0 299.415 -0.284 20 0 CBADRP O=C1C[C@@H](C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CN1 ZINC001473657960 915849178 /nfs/dbraw/zinc/84/91/78/915849178.db2.gz CIAMQQXRZQGQMK-DGCLKSJQSA-N 2 0 267.373 -0.347 20 0 CBADRP O=C1C[C@@H](C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)CN1 ZINC001473657962 915849555 /nfs/dbraw/zinc/84/95/55/915849555.db2.gz CIAMQQXRZQGQMK-YPMHNXCESA-N 2 0 267.373 -0.347 20 0 CBADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)C3(O)CCOCC3)C[C@@H]2C1 ZINC001473703451 915849639 /nfs/dbraw/zinc/84/96/39/915849639.db2.gz NFJSZXZOTXDOPK-HZSPNIEDSA-N 2 0 284.400 -0.228 20 0 CBADRP O=C1C[C@H](C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)CN1 ZINC001473657959 915850430 /nfs/dbraw/zinc/85/04/30/915850430.db2.gz CIAMQQXRZQGQMK-AAEUAGOBSA-N 2 0 267.373 -0.347 20 0 CBADRP CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H](CO)[C@H](CCO)C1 ZINC001473891582 915878615 /nfs/dbraw/zinc/87/86/15/915878615.db2.gz BJPQZVOJLACARD-RDBSUJKOSA-N 2 0 274.405 -0.390 20 0 CBADRP CC(C)[N@H+](C)C[C@H](O)CN1C[C@H](CCO)[C@H](CO)C1 ZINC001473891579 915879105 /nfs/dbraw/zinc/87/91/05/915879105.db2.gz BJPQZVOJLACARD-IHRRRGAJSA-N 2 0 274.405 -0.390 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)CN1C(=O)CC[NH+](C)C ZINC001507317451 921807082 /nfs/dbraw/zinc/80/70/82/921807082.db2.gz GXAAKFKMSRJAMR-AAEUAGOBSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001479272581 916105610 /nfs/dbraw/zinc/10/56/10/916105610.db2.gz WSYMGFYMMHYHDV-CHWSQXEVSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001479322596 916117378 /nfs/dbraw/zinc/11/73/78/916117378.db2.gz WBIZXHLRGAQSLO-UTUOFQBUSA-N 2 0 282.388 -0.702 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001479337486 916117421 /nfs/dbraw/zinc/11/74/21/916117421.db2.gz ANOAVNSEKGWETH-PHIMTYICSA-N 2 0 270.377 -0.702 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001479319083 916120042 /nfs/dbraw/zinc/12/00/42/916120042.db2.gz DGFURVFCBYTKED-TXEJJXNPSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[C@@H](C(=O)NCCC[N@H+](C)[C@@H](C)C(=O)NC)[NH+](C)C ZINC001479808122 916183471 /nfs/dbraw/zinc/18/34/71/916183471.db2.gz QDSUSRUDRVUPRL-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCO)C1)[NH+](C)C ZINC001479968963 916242464 /nfs/dbraw/zinc/24/24/64/916242464.db2.gz LPQAEJQNBRULAC-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCCN2CC[NH+](CCO)CC2)C1 ZINC001479923051 916219666 /nfs/dbraw/zinc/21/96/66/916219666.db2.gz OJVOPNOVOOMICX-CQSZACIVSA-N 2 0 298.431 -0.946 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH+](C)CC(N)=O)C1 ZINC001480084388 916284208 /nfs/dbraw/zinc/28/42/08/916284208.db2.gz IEJVDQRYSOSPAR-CYBMUJFWSA-N 2 0 298.431 -0.016 20 0 CBADRP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CCO)C1)C1CCC1 ZINC001480141307 916307901 /nfs/dbraw/zinc/30/79/01/916307901.db2.gz BVVZTYFFEXKQFD-XYPYZODXSA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001480157165 916313696 /nfs/dbraw/zinc/31/36/96/916313696.db2.gz ISGHPUONYKMUOD-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1)C(N)=O ZINC001480173857 916318868 /nfs/dbraw/zinc/31/88/68/916318868.db2.gz OQFQEEWSOKGNKD-IJLUTSLNSA-N 2 0 284.404 -0.173 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001480219998 916335110 /nfs/dbraw/zinc/33/51/10/916335110.db2.gz GVFIXEJRXAADOY-BETUJISGSA-N 2 0 296.415 -0.299 20 0 CBADRP CCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001480237374 916338416 /nfs/dbraw/zinc/33/84/16/916338416.db2.gz XCKSPPOOANSZLS-BETUJISGSA-N 2 0 296.415 -0.155 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001480231910 916339046 /nfs/dbraw/zinc/33/90/46/916339046.db2.gz HVOAEFLORZBVFS-ZDEQEGDKSA-N 2 0 296.415 -0.301 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001480301988 916355433 /nfs/dbraw/zinc/35/54/33/916355433.db2.gz DBLDJSGHNCETDZ-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H](C)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001480463293 916428492 /nfs/dbraw/zinc/42/84/92/916428492.db2.gz TWTOZZNQPUMYPJ-NWDGAFQWSA-N 2 0 297.403 -0.467 20 0 CBADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H]1CCNC1=O ZINC001480478491 916436711 /nfs/dbraw/zinc/43/67/11/916436711.db2.gz ZKGIHEAWPYXIPI-ZYHUDNBSSA-N 2 0 282.388 -0.547 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(N)=O)[NH+](C)C ZINC001480574628 916477883 /nfs/dbraw/zinc/47/78/83/916477883.db2.gz GSXZLUPXBZAMIZ-KOLCDFICSA-N 2 0 258.366 -0.848 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CC(N)=O)[NH+](C)C ZINC001480574603 916478765 /nfs/dbraw/zinc/47/87/65/916478765.db2.gz GSXZLUPXBZAMIZ-GXSJLCMTSA-N 2 0 258.366 -0.848 20 0 CBADRP COCCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001480612602 916494526 /nfs/dbraw/zinc/49/45/26/916494526.db2.gz AKJASYLYCNUSGG-KBPBESRZSA-N 2 0 299.415 -0.066 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001480639427 916506146 /nfs/dbraw/zinc/50/61/46/916506146.db2.gz ZNEYEKBJMBHVAV-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP CN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001480659800 916512845 /nfs/dbraw/zinc/51/28/45/916512845.db2.gz VMLCKXVRYDZWPI-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001480659806 916513854 /nfs/dbraw/zinc/51/38/54/916513854.db2.gz VQAXNBPNAMMQOS-ZDUSSCGKSA-N 2 0 294.403 -0.332 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001480674374 916517921 /nfs/dbraw/zinc/51/79/21/916517921.db2.gz OSOVWWDFJCXCMP-QWRGUYRKSA-N 2 0 270.377 -0.750 20 0 CBADRP CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(N)=O)[NH+](C)C ZINC001480793029 916542339 /nfs/dbraw/zinc/54/23/39/916542339.db2.gz WKOSHEYFKNQZBG-ZJUUUORDSA-N 2 0 258.366 -0.704 20 0 CBADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@H]1CCCNC1=O ZINC001480790332 916542425 /nfs/dbraw/zinc/54/24/25/916542425.db2.gz NWDDBQAHEWKYKI-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001480808687 916545404 /nfs/dbraw/zinc/54/54/04/916545404.db2.gz OIUROYXRZQDFRH-VXGBXAGGSA-N 2 0 294.403 -0.249 20 0 CBADRP C[N@H+](CCNC(=O)C[NH+]1CCCC1)CCN1CCNC1=O ZINC001480947374 916653640 /nfs/dbraw/zinc/65/36/40/916653640.db2.gz RKJHPHDVCZBIRY-UHFFFAOYSA-N 2 0 297.403 -0.845 20 0 CBADRP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H](C)C(N)=O ZINC001481132268 916726963 /nfs/dbraw/zinc/72/69/63/916726963.db2.gz JDRIPIDYHIZTKT-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH+](CCO)C1CC1 ZINC001481199443 916747246 /nfs/dbraw/zinc/74/72/46/916747246.db2.gz FUDSQWRZPRHJBJ-UHFFFAOYSA-N 2 0 257.378 -0.101 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001481228642 916776748 /nfs/dbraw/zinc/77/67/48/916776748.db2.gz HHJZCSQUAUERHW-OLZOCXBDSA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001481228646 916777221 /nfs/dbraw/zinc/77/72/21/916777221.db2.gz HHJZCSQUAUERHW-STQMWFEESA-N 2 0 296.415 -0.204 20 0 CBADRP CN(CC[NH2+]CCO)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001481242700 916786485 /nfs/dbraw/zinc/78/64/85/916786485.db2.gz SVOSNMUDYASSLE-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP C[C@@H](O)C[NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001481272940 916796855 /nfs/dbraw/zinc/79/68/55/916796855.db2.gz MFNUUYSWCTXOQA-LLVKDONJSA-N 2 0 257.378 -0.243 20 0 CBADRP CCNC(=O)C[NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001481273286 916799651 /nfs/dbraw/zinc/79/96/51/916799651.db2.gz QYSQUBOPESMQBX-UHFFFAOYSA-N 2 0 284.404 -0.488 20 0 CBADRP CCNC(=O)C[NH2+]CCN(C)C(=O)CC[NH+](C)C ZINC001481276787 916801013 /nfs/dbraw/zinc/80/10/13/916801013.db2.gz GZOCGJXSVOHSCD-UHFFFAOYSA-N 2 0 258.366 -0.878 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH+](C)CC(N)=O)C2)C1 ZINC001481496473 916851467 /nfs/dbraw/zinc/85/14/67/916851467.db2.gz CWYTVZZTNCATJM-CHWSQXEVSA-N 2 0 296.415 -0.406 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH+](C)CC(N)=O)C2)C1 ZINC001481496476 916852146 /nfs/dbraw/zinc/85/21/46/916852146.db2.gz CWYTVZZTNCATJM-STQMWFEESA-N 2 0 296.415 -0.406 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1C[NH+](C[C@H](C)O)C1 ZINC001481655710 916931474 /nfs/dbraw/zinc/93/14/74/916931474.db2.gz DOAVFVKOEQEALN-NSHDSACASA-N 2 0 257.378 -0.243 20 0 CBADRP C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001481677624 916943353 /nfs/dbraw/zinc/94/33/53/916943353.db2.gz KJNAJQGJMOAYFZ-STQMWFEESA-N 2 0 269.389 -0.004 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCOCCO)C1 ZINC001481703572 916956599 /nfs/dbraw/zinc/95/65/99/916956599.db2.gz XMEIGJBVVJIOFT-ZIAGYGMSSA-N 2 0 299.415 -0.330 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCOCCO)C1 ZINC001481710081 916960561 /nfs/dbraw/zinc/96/05/61/916960561.db2.gz VZEKVCUOCJKYKA-CYBMUJFWSA-N 2 0 287.404 -0.474 20 0 CBADRP CN(C(=O)COC1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCO)C1 ZINC001481748539 916975974 /nfs/dbraw/zinc/97/59/74/916975974.db2.gz QNGCGDSVVOEFNW-ZDUSSCGKSA-N 2 0 299.415 -0.378 20 0 CBADRP C[NH+](C)CCC(=O)N[C@](C)(C[NH2+]CCO)C1CC1 ZINC001481941571 917026816 /nfs/dbraw/zinc/02/68/16/917026816.db2.gz UUVDPLKTHDUNDQ-CYBMUJFWSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC(=O)NC ZINC001481828548 916999973 /nfs/dbraw/zinc/99/99/73/916999973.db2.gz DSOMLCNOLWLPBG-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCCO ZINC001481878977 917010219 /nfs/dbraw/zinc/01/02/19/917010219.db2.gz MBPSAQWWMWVKCI-GFCCVEGCSA-N 2 0 257.378 -0.051 20 0 CBADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCn1cncn1 ZINC001481875683 917012256 /nfs/dbraw/zinc/01/22/56/917012256.db2.gz PBZYHYAAELGYIL-CHWSQXEVSA-N 2 0 294.403 -0.286 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)CC ZINC001481874164 917013055 /nfs/dbraw/zinc/01/30/55/917013055.db2.gz FFLBWMOIZVXXJY-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]C[C@@H](C)O ZINC001481879323 917016354 /nfs/dbraw/zinc/01/63/54/917016354.db2.gz PYAJEQRZVGYYIL-NEPJUHHUSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@@H]([NH2+]C[C@](C)(NC(=O)C[NH+]1CCCC1)C1CC1)C(N)=O ZINC001481950066 917028062 /nfs/dbraw/zinc/02/80/62/917028062.db2.gz FUUSPXJOWUMTRV-ABAIWWIYSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]CC(=O)N(C)C ZINC001482138989 917061368 /nfs/dbraw/zinc/06/13/68/917061368.db2.gz ZHCWLYNVMKPYLN-LBPRGKRZSA-N 2 0 298.431 -0.242 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001482136260 917062280 /nfs/dbraw/zinc/06/22/80/917062280.db2.gz HSODJTVTBYCWIP-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001482167045 917070109 /nfs/dbraw/zinc/07/01/09/917070109.db2.gz ADFDAXPWEAEBOD-VXGBXAGGSA-N 2 0 257.378 -0.195 20 0 CBADRP CC(C)C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001482394195 917142802 /nfs/dbraw/zinc/14/28/02/917142802.db2.gz OIFFHKZBNUHXAE-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001482495838 917151094 /nfs/dbraw/zinc/15/10/94/917151094.db2.gz STZFTGSFJDQYBL-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CC(N)=O)C1 ZINC001482667641 917200844 /nfs/dbraw/zinc/20/08/44/917200844.db2.gz TWVCOVXSZFDQHD-STQMWFEESA-N 2 0 296.415 -0.264 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2[C@H](CC[NH+]2CC(N)=O)C1 ZINC001482667639 917201454 /nfs/dbraw/zinc/20/14/54/917201454.db2.gz TWVCOVXSZFDQHD-OLZOCXBDSA-N 2 0 296.415 -0.264 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CC(N)=O)CC1 ZINC001482686600 917205215 /nfs/dbraw/zinc/20/52/15/917205215.db2.gz KIUQCGFPNGRSHI-STQMWFEESA-N 2 0 296.415 -0.312 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC(N)=O)CC1 ZINC001482686597 917205997 /nfs/dbraw/zinc/20/59/97/917205997.db2.gz KIUQCGFPNGRSHI-QWHCGFSZSA-N 2 0 296.415 -0.312 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]Cc1cnns1 ZINC001482764857 917262029 /nfs/dbraw/zinc/26/20/29/917262029.db2.gz YEVRQYBELQWPRN-VIFPVBQESA-N 2 0 287.389 -0.944 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]Cc1ccccn1 ZINC001482764924 917263479 /nfs/dbraw/zinc/26/34/79/917263479.db2.gz ZASIBFZPQCNWIL-CYBMUJFWSA-N 2 0 280.372 -0.400 20 0 CBADRP C[C@H](C(=O)NC[C@H](O)C[NH2+]CCO)[NH+]1CCCCCC1 ZINC001482774110 917271708 /nfs/dbraw/zinc/27/17/08/917271708.db2.gz HCSGOMSCEZXHAI-CHWSQXEVSA-N 2 0 287.404 -0.690 20 0 CBADRP CC[C@@H](C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)OC ZINC001482786266 917283417 /nfs/dbraw/zinc/28/34/17/917283417.db2.gz SSGUXMRVJYYAOY-OLZOCXBDSA-N 2 0 299.415 -0.426 20 0 CBADRP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482832303 917308959 /nfs/dbraw/zinc/30/89/59/917308959.db2.gz FNPHWWKDIQIUCX-QJPTWQEYSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001482868378 917317580 /nfs/dbraw/zinc/31/75/80/917317580.db2.gz SUEQJPXKTAVISG-JTQLQIEISA-N 2 0 270.377 -0.702 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC(N)=O ZINC001482901026 917329117 /nfs/dbraw/zinc/32/91/17/917329117.db2.gz IKIJTILJHAKHSS-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCCO ZINC001482990705 917360644 /nfs/dbraw/zinc/36/06/44/917360644.db2.gz GQYWSHZKWKTVDK-QAVQXKDTSA-N 2 0 255.362 -0.275 20 0 CBADRP CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001483044821 917385190 /nfs/dbraw/zinc/38/51/90/917385190.db2.gz RZTFBFGPMARSHC-ZYOFXKKJSA-N 2 0 282.388 -0.521 20 0 CBADRP C[C@H](O)C[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001483053550 917392187 /nfs/dbraw/zinc/39/21/87/917392187.db2.gz FOHRJNSPYXACKQ-MVZIDQBPSA-N 2 0 269.389 -0.029 20 0 CBADRP CCNC(=O)C[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001483083681 917404801 /nfs/dbraw/zinc/40/48/01/917404801.db2.gz OHGVJCLMVUCYBQ-ARJAWSKDSA-N 2 0 294.399 -0.520 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001483098930 917408070 /nfs/dbraw/zinc/40/80/70/917408070.db2.gz UQRNBYAXMLYCFL-RXNFCKPNSA-N 2 0 282.388 -0.392 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001483098931 917408987 /nfs/dbraw/zinc/40/89/87/917408987.db2.gz UQRNBYAXMLYCFL-ZYOFXKKJSA-N 2 0 282.388 -0.392 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483192678 917455450 /nfs/dbraw/zinc/45/54/50/917455450.db2.gz CDWRNIAYBKHYQL-VXGBXAGGSA-N 2 0 284.404 -0.443 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483193340 917458133 /nfs/dbraw/zinc/45/81/33/917458133.db2.gz XPHCVWHTNALKHH-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NC ZINC001483232488 917488520 /nfs/dbraw/zinc/48/85/20/917488520.db2.gz DTHDQNMGRBZSII-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](C[NH2+]Cc1cncn1C)NC(=O)CC[NH+](C)C ZINC001483262070 917498609 /nfs/dbraw/zinc/49/86/09/917498609.db2.gz RKCZJBVLQNUCGP-NSHDSACASA-N 2 0 267.377 -0.034 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@H]1CCN(C)C1=O ZINC001483405589 917557567 /nfs/dbraw/zinc/55/75/67/917557567.db2.gz ZAWPPPQTAAEKQN-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001483420950 917558238 /nfs/dbraw/zinc/55/82/38/917558238.db2.gz MZRDPWDCEOZCRQ-QWHCGFSZSA-N 2 0 298.431 -0.006 20 0 CBADRP CC[C@H](C(=O)N(C)CCC[NH2+]CC(=O)NC)[NH+](C)C ZINC001483473316 917572999 /nfs/dbraw/zinc/57/29/99/917572999.db2.gz AWOQOEWUACWUGC-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCCO)CC2)C1 ZINC001483768003 917675578 /nfs/dbraw/zinc/67/55/78/917675578.db2.gz UHVORUARKZKFFU-GFCCVEGCSA-N 2 0 269.389 -0.051 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483945492 917712619 /nfs/dbraw/zinc/71/26/19/917712619.db2.gz ZCOMOKKIYVUKHC-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+](CCOCCO)C1 ZINC001484070711 917733620 /nfs/dbraw/zinc/73/36/20/917733620.db2.gz IJAWJFDIKVEPCE-OAHLLOKOSA-N 2 0 299.415 -0.328 20 0 CBADRP COCC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001484191430 917748644 /nfs/dbraw/zinc/74/86/44/917748644.db2.gz RIYVKTJSQLKZLI-UHFFFAOYSA-N 2 0 299.415 -0.016 20 0 CBADRP CC(C)[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001484252628 917791282 /nfs/dbraw/zinc/79/12/82/917791282.db2.gz VZWGYNABIOSQLZ-GXTWGEPZSA-N 2 0 269.389 -0.101 20 0 CBADRP CNC(=O)[C@H](C)[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001484411696 917840740 /nfs/dbraw/zinc/84/07/40/917840740.db2.gz CYDMEVPXMRLAGR-RWMBFGLXSA-N 2 0 296.415 -0.537 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001484443405 917855659 /nfs/dbraw/zinc/85/56/59/917855659.db2.gz GTGNLSUNBKLVSY-UKRRQHHQSA-N 2 0 299.415 -0.736 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001484443403 917857653 /nfs/dbraw/zinc/85/76/53/917857653.db2.gz GTGNLSUNBKLVSY-HIFRSBDPSA-N 2 0 299.415 -0.736 20 0 CBADRP O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N(CCO)CC[NH2+]CCO ZINC001484495981 917878460 /nfs/dbraw/zinc/87/84/60/917878460.db2.gz IRZXWQDVKVGOSC-UONOGXRCSA-N 2 0 299.415 -0.594 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484535605 917882929 /nfs/dbraw/zinc/88/29/29/917882929.db2.gz IOGITCKQTWYCPP-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+]1CCC(C(=O)NCC2([NH2+]CCO)CCC2)CC1 ZINC001484649479 917907875 /nfs/dbraw/zinc/90/78/75/917907875.db2.gz MNJYZIYXBQVLAY-UHFFFAOYSA-N 2 0 269.389 -0.051 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]CCCO ZINC001484905225 917963719 /nfs/dbraw/zinc/96/37/19/917963719.db2.gz FOSPCIIFQGTQRU-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP CCCC[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485471139 918126279 /nfs/dbraw/zinc/12/62/79/918126279.db2.gz CZGSUEWIELLTHY-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001485624324 918157182 /nfs/dbraw/zinc/15/71/82/918157182.db2.gz SAFRNARVEVSXNI-XYYAHUGASA-N 2 0 296.415 -0.502 20 0 CBADRP C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+][C@H](C)C(N)=O ZINC001485916519 918224727 /nfs/dbraw/zinc/22/47/27/918224727.db2.gz STDNOPOICVWNKA-GHMZBOCLSA-N 2 0 272.393 -0.362 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001485856923 918214489 /nfs/dbraw/zinc/21/44/89/918214489.db2.gz WAPVMJZQGKZGFW-WDEREUQCSA-N 2 0 270.377 -0.737 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001485916736 918229350 /nfs/dbraw/zinc/22/93/50/918229350.db2.gz WXZWGNWGIGUQPU-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001485940978 918234172 /nfs/dbraw/zinc/23/41/72/918234172.db2.gz MDIWOVRGEPDREQ-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001485954938 918241120 /nfs/dbraw/zinc/24/11/20/918241120.db2.gz BIHIHTOILRBCPT-VXGBXAGGSA-N 2 0 284.404 -0.537 20 0 CBADRP COC[C@H](C)[NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001486002528 918294306 /nfs/dbraw/zinc/29/43/06/918294306.db2.gz RZDARDXRPOYHKZ-RYUDHWBXSA-N 2 0 287.404 -0.428 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC ZINC001486002008 918295049 /nfs/dbraw/zinc/29/50/49/918295049.db2.gz LMJGQRNOHFBCFI-NEPJUHHUSA-N 2 0 257.378 -0.053 20 0 CBADRP CCC[NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001486316771 918424367 /nfs/dbraw/zinc/42/43/67/918424367.db2.gz IIGSWEMNBUJFRZ-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001488803452 918768623 /nfs/dbraw/zinc/76/86/23/918768623.db2.gz FRUKKKRCINVGMT-UPJWGTAASA-N 2 0 298.431 -0.055 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001488794765 918769885 /nfs/dbraw/zinc/76/98/85/918769885.db2.gz VRCABLAWNXJLEG-UTUOFQBUSA-N 2 0 282.388 -0.832 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001488793449 918770059 /nfs/dbraw/zinc/77/00/59/918770059.db2.gz XNLUCVPOWUWNEY-BETUJISGSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](O)C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001490234545 918867230 /nfs/dbraw/zinc/86/72/30/918867230.db2.gz ZGTCIKNXGOPMAA-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)CC(=O)NC ZINC001490355799 918894700 /nfs/dbraw/zinc/89/47/00/918894700.db2.gz RLMVITAWJQLEIM-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H](C)C(=O)NC ZINC001490358247 918900029 /nfs/dbraw/zinc/90/00/29/918900029.db2.gz WXCWTSSOKDJBHL-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](O)C[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001490513974 918924806 /nfs/dbraw/zinc/92/48/06/918924806.db2.gz AWQFYKGPSLZUSA-ZIAGYGMSSA-N 2 0 298.431 -0.947 20 0 CBADRP CN1CC[C@H]([NH2+][C@H](CNC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001490699300 918960904 /nfs/dbraw/zinc/96/09/04/918960904.db2.gz DIJSYOTZQBBPAL-QWHCGFSZSA-N 2 0 296.415 -0.347 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H]([NH2+]CCO)C1CC1 ZINC001490741484 918967598 /nfs/dbraw/zinc/96/75/98/918967598.db2.gz VMRJEGNYTNEPCP-LBPRGKRZSA-N 2 0 255.362 -0.441 20 0 CBADRP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001490925175 918993452 /nfs/dbraw/zinc/99/34/52/918993452.db2.gz YJZZUVFDLYBCEG-XYPYZODXSA-N 2 0 280.376 -0.496 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001491080526 919024795 /nfs/dbraw/zinc/02/47/95/919024795.db2.gz PARCWYNRQKGDDR-GARJFASQSA-N 2 0 270.377 -0.563 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1)C(N)=O ZINC001491080501 919026233 /nfs/dbraw/zinc/02/62/33/919026233.db2.gz OQFQEEWSOKGNKD-TUAOUCFPSA-N 2 0 284.404 -0.173 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001491080528 919026459 /nfs/dbraw/zinc/02/64/59/919026459.db2.gz PARCWYNRQKGDDR-MXWKQRLJSA-N 2 0 270.377 -0.563 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC001491130991 919046257 /nfs/dbraw/zinc/04/62/57/919046257.db2.gz SMDMYHRXHAYOFW-ZDUSSCGKSA-N 2 0 269.389 -0.097 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCNC(=O)C1CC1 ZINC001491415866 919150851 /nfs/dbraw/zinc/15/08/51/919150851.db2.gz UWNZWCNDDJURHM-DGCLKSJQSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCO ZINC001491455452 919169333 /nfs/dbraw/zinc/16/93/33/919169333.db2.gz RFMWAFYJIMSUIB-NWDGAFQWSA-N 2 0 257.378 -0.054 20 0 CBADRP C[NH+](C)CCC(=O)NCCNC(=O)C12CCC[NH+]1CCC2 ZINC001491470552 919173231 /nfs/dbraw/zinc/17/32/31/919173231.db2.gz OEPVAGGABUUJEE-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(=O)N(C)C ZINC001491477653 919176553 /nfs/dbraw/zinc/17/65/53/919176553.db2.gz LHVFREVGZSBMKS-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@H]1CCNC1=O ZINC001491514160 919188185 /nfs/dbraw/zinc/18/81/85/919188185.db2.gz ZTTZTRIAHKSRAX-RYUDHWBXSA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001491671653 919248857 /nfs/dbraw/zinc/24/88/57/919248857.db2.gz BMZHEBQQDDTNPF-WDEREUQCSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCCC1 ZINC001491672799 919250266 /nfs/dbraw/zinc/25/02/66/919250266.db2.gz JCKDACJDAOHRQJ-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)C[NH+]1CCCC1 ZINC001491710699 919259853 /nfs/dbraw/zinc/25/98/53/919259853.db2.gz CDPVAPLQPKSPTE-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001491884403 919295170 /nfs/dbraw/zinc/29/51/70/919295170.db2.gz BEUQHVRYRNPFIE-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCO ZINC001492035198 919315147 /nfs/dbraw/zinc/31/51/47/919315147.db2.gz TWQASBPCAAQDMI-LLVKDONJSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCO ZINC001492035199 919315677 /nfs/dbraw/zinc/31/56/77/919315677.db2.gz TWQASBPCAAQDMI-NSHDSACASA-N 2 0 257.378 -0.053 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCCN1CC(N)=O ZINC001493151160 919483747 /nfs/dbraw/zinc/48/37/47/919483747.db2.gz ZKBAGLNCQRQUTD-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001493133494 919485405 /nfs/dbraw/zinc/48/54/05/919485405.db2.gz RXNWOAKFIGAHET-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493232147 919507480 /nfs/dbraw/zinc/50/74/80/919507480.db2.gz BYBWDQVMFFTHTB-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001493550839 919576664 /nfs/dbraw/zinc/57/66/64/919576664.db2.gz JZOIVJFYAODDNQ-JHJVBQTASA-N 2 0 298.431 -0.149 20 0 CBADRP Cc1c(C(=O)N(C)CC[NH2+]CC(N)=O)ccc2c[nH+]cn21 ZINC001493610085 919587903 /nfs/dbraw/zinc/58/79/03/919587903.db2.gz QGJZEYJEUOTAQH-UHFFFAOYSA-N 2 0 289.339 -0.210 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)C(=O)N(C)C ZINC001493600753 919588587 /nfs/dbraw/zinc/58/85/87/919588587.db2.gz RHTYUXHCMGUGJZ-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCNC1=O ZINC001493924490 919635064 /nfs/dbraw/zinc/63/50/64/919635064.db2.gz ZKLNIMSLGJVSTB-FRRDWIJNSA-N 2 0 294.399 -0.498 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCOCCO)C1 ZINC001494585582 919746698 /nfs/dbraw/zinc/74/66/98/919746698.db2.gz SXBFOOXAOFUYKN-AWEZNQCLSA-N 2 0 299.415 -0.472 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC1C[NH+](CCn2cncn2)C1 ZINC001494624276 919752988 /nfs/dbraw/zinc/75/29/88/919752988.db2.gz AKHCDZZHDNLMFO-UHFFFAOYSA-N 2 0 292.387 -0.578 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001494848950 919804411 /nfs/dbraw/zinc/80/44/11/919804411.db2.gz UIUBSAXPZDOCAC-VXGBXAGGSA-N 2 0 284.404 -0.265 20 0 CBADRP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCO ZINC001495094156 919859896 /nfs/dbraw/zinc/85/98/96/919859896.db2.gz MBPHVZMOGJWNMV-LLVKDONJSA-N 2 0 255.362 -0.441 20 0 CBADRP CCCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001495106986 919864024 /nfs/dbraw/zinc/86/40/24/919864024.db2.gz JKCQABIWGSYFIW-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC ZINC001495106050 919864869 /nfs/dbraw/zinc/86/48/69/919864869.db2.gz DXZGXGBIGYEOCL-MNOVXSKESA-N 2 0 270.377 -0.832 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001495301404 919882304 /nfs/dbraw/zinc/88/23/04/919882304.db2.gz UHCSOQFEANHTKC-QMTHXVAHSA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)C[NH2+][C@H]1CCNC1=O ZINC001495682557 919926778 /nfs/dbraw/zinc/92/67/78/919926778.db2.gz FKEFLWBPMMYACQ-YPMHNXCESA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)C[NH2+][C@@H]1CCNC1=O ZINC001495682553 919928653 /nfs/dbraw/zinc/92/86/53/919928653.db2.gz FKEFLWBPMMYACQ-DGCLKSJQSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001495813577 919953701 /nfs/dbraw/zinc/95/37/01/919953701.db2.gz NLVZTAABGNWHCW-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001495901277 919981285 /nfs/dbraw/zinc/98/12/85/919981285.db2.gz LZMVSWDAHDWKJQ-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001496082252 920024298 /nfs/dbraw/zinc/02/42/98/920024298.db2.gz SHIVXQQZBMPSEN-VXGBXAGGSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)N(C)C(=O)CCC[NH+](C)C ZINC001496144884 920032493 /nfs/dbraw/zinc/03/24/93/920032493.db2.gz NJZRQFSAAZOLGG-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)CCC[NH+](C)C ZINC001496141742 920032532 /nfs/dbraw/zinc/03/25/32/920032532.db2.gz BSLXJEVSSMACJO-JTQLQIEISA-N 2 0 258.366 -0.750 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001496145931 920036012 /nfs/dbraw/zinc/03/60/12/920036012.db2.gz VQQVUJAVHUOLTR-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(CC[N@H+](C)CCn1cncn1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001496835003 920136894 /nfs/dbraw/zinc/13/68/94/920136894.db2.gz CPNWENAGXKFGIU-CYBMUJFWSA-N 2 0 294.403 -0.380 20 0 CBADRP CC(C)[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001496997327 920197757 /nfs/dbraw/zinc/19/77/57/920197757.db2.gz TYUULLLPHQULEK-LBPRGKRZSA-N 2 0 257.378 -0.054 20 0 CBADRP CO[C@@H](C)C[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001497045499 920223200 /nfs/dbraw/zinc/22/32/00/920223200.db2.gz FAYMOBQQQNJDBS-AAEUAGOBSA-N 2 0 287.404 -0.570 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]Cc1ccns1 ZINC001497111502 920249028 /nfs/dbraw/zinc/24/90/28/920249028.db2.gz QSRHZHJZZJSWME-NSHDSACASA-N 2 0 298.412 -0.194 20 0 CBADRP COCC[NH2+]C[C@H](O)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001497100265 920249221 /nfs/dbraw/zinc/24/92/21/920249221.db2.gz YWCLHXNVSFZNNL-JSGCOSHPSA-N 2 0 285.388 -0.815 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC2CC2)C1 ZINC001497113226 920254625 /nfs/dbraw/zinc/25/46/25/920254625.db2.gz IEZLIQPHDAEBPR-VXGBXAGGSA-N 2 0 255.362 -0.585 20 0 CBADRP CCN(CC[NH2+]CC(=O)N(C)C)C(=O)C1([NH+](C)C)CCC1 ZINC001497400896 920304386 /nfs/dbraw/zinc/30/43/86/920304386.db2.gz MERPGUAHMBXDCK-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CCN(CC[NH2+]CCn1cncn1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497495286 920311070 /nfs/dbraw/zinc/31/10/70/920311070.db2.gz CHYAAHJQTQLSGD-CYBMUJFWSA-N 2 0 294.403 -0.332 20 0 CBADRP CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)CC[N@H+](C)CC ZINC001497478119 920312312 /nfs/dbraw/zinc/31/23/12/920312312.db2.gz RRZVMVDZHHMAFY-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H](O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497587007 920348274 /nfs/dbraw/zinc/34/82/74/920348274.db2.gz ZQVWYRUBUKHWRN-GDNMSKEOSA-N 2 0 269.389 -0.031 20 0 CBADRP C[C@@H](O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497587006 920351040 /nfs/dbraw/zinc/35/10/40/920351040.db2.gz ZQVWYRUBUKHWRN-CRVKJFQUSA-N 2 0 269.389 -0.031 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001497909881 920422746 /nfs/dbraw/zinc/42/27/46/920422746.db2.gz DZHRAOPEOOCYBV-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](C[NH2+]Cc1ccn(C)n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497984131 920432098 /nfs/dbraw/zinc/43/20/98/920432098.db2.gz UZPNCNKUOHCWKE-VXGBXAGGSA-N 2 0 279.388 -0.034 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497983506 920433570 /nfs/dbraw/zinc/43/35/70/920433570.db2.gz FEGBLWMVEAGONM-GHMZBOCLSA-N 2 0 282.388 -0.689 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001498042787 920457935 /nfs/dbraw/zinc/45/79/35/920457935.db2.gz AMOBLWKLOZWIOQ-JQWIXIFHSA-N 2 0 282.388 -0.832 20 0 CBADRP CC[C@@H]([NH2+]C[C@H](C)NC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001498053443 920463027 /nfs/dbraw/zinc/46/30/27/920463027.db2.gz NIJXKWLKXJYYIJ-CMPLNLGQSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H](C[NH2+]CCCO)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001498090435 920474015 /nfs/dbraw/zinc/47/40/15/920474015.db2.gz HCFSDEHOSKXXDV-RYUDHWBXSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001498104583 920481894 /nfs/dbraw/zinc/48/18/94/920481894.db2.gz FVHKZRULMZYGRS-VHSXEESVSA-N 2 0 270.377 -0.704 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001498198314 920514628 /nfs/dbraw/zinc/51/46/28/920514628.db2.gz HCCMPPGTIFJFGT-GXTWGEPZSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001498198315 920516657 /nfs/dbraw/zinc/51/66/57/920516657.db2.gz HCCMPPGTIFJFGT-JSGCOSHPSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CCC[NH+]1CCCC1 ZINC001498197384 920517405 /nfs/dbraw/zinc/51/74/05/920517405.db2.gz MMGIYVWRMWTIII-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001498771274 920639731 /nfs/dbraw/zinc/63/97/31/920639731.db2.gz VCQXBTJBORXBQX-LBPRGKRZSA-N 2 0 296.415 -0.299 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001499266801 920728972 /nfs/dbraw/zinc/72/89/72/920728972.db2.gz NRLKAUZACUHJGG-NWDGAFQWSA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCC[NH+](C)C ZINC001499844985 920773582 /nfs/dbraw/zinc/77/35/82/920773582.db2.gz SXAOVAKRBWUUNO-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[N@@H+]1CC[C@@](O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001500743278 920874319 /nfs/dbraw/zinc/87/43/19/920874319.db2.gz KKYFBMPYEZLICY-OAHLLOKOSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+](CCCO)C1 ZINC001500746479 920875216 /nfs/dbraw/zinc/87/52/16/920875216.db2.gz HQWJALBBRCEZKZ-AWEZNQCLSA-N 2 0 287.404 -0.736 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001501067936 920943375 /nfs/dbraw/zinc/94/33/75/920943375.db2.gz VEZDAWBVLXMYLM-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001501083424 920947028 /nfs/dbraw/zinc/94/70/28/920947028.db2.gz IDFVBRGOOSHXHI-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001501083425 920947204 /nfs/dbraw/zinc/94/72/04/920947204.db2.gz IDFVBRGOOSHXHI-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CC(N)=O ZINC001501135353 920951289 /nfs/dbraw/zinc/95/12/89/920951289.db2.gz FRBUMYNZKPTRFP-WCQYABFASA-N 2 0 296.415 -0.502 20 0 CBADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001501135352 920951330 /nfs/dbraw/zinc/95/13/30/920951330.db2.gz FRBUMYNZKPTRFP-AAEUAGOBSA-N 2 0 296.415 -0.502 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1 ZINC001501242308 920955883 /nfs/dbraw/zinc/95/58/83/920955883.db2.gz CPTHJEGBRJNEKC-BETUJISGSA-N 2 0 269.389 -0.291 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@]1(CO)CCC[NH+](CCO)C1 ZINC001501369503 920981906 /nfs/dbraw/zinc/98/19/06/920981906.db2.gz QSHUVQJDXIVDNN-CQSZACIVSA-N 2 0 287.404 -0.738 20 0 CBADRP CC(C)[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001501443073 921010390 /nfs/dbraw/zinc/01/03/90/921010390.db2.gz KDVDXEHEKPPALA-GFCCVEGCSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(N)=O)[C@H]2C1 ZINC001507359538 921810907 /nfs/dbraw/zinc/81/09/07/921810907.db2.gz DFRZCPYGOHCQLI-RWMBFGLXSA-N 2 0 296.415 -0.360 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)C[C@@H]1C ZINC001507337349 921813066 /nfs/dbraw/zinc/81/30/66/921813066.db2.gz CTKYHPNYWANLCP-QWHCGFSZSA-N 2 0 298.431 -0.006 20 0 CBADRP CC[NH2+]C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001507500613 921858213 /nfs/dbraw/zinc/85/82/13/921858213.db2.gz VKXRWHRQYCXUDW-LLVKDONJSA-N 2 0 257.378 -0.243 20 0 CBADRP CN(C[C@@H](O)C[NH2+]Cc1nccn1C)C(=O)CC[NH+](C)C ZINC001507501607 921859399 /nfs/dbraw/zinc/85/93/99/921859399.db2.gz AUNBCMUBWWAUCW-LBPRGKRZSA-N 2 0 297.403 -0.719 20 0 CBADRP CN(C[C@@H](O)C[NH2+]CCCF)C(=O)C12CC[NH+](CC1)C2 ZINC001507543719 921863081 /nfs/dbraw/zinc/86/30/81/921863081.db2.gz VCTDUHBRYPCMBQ-LBPRGKRZSA-N 2 0 287.379 -0.149 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001507726805 921892382 /nfs/dbraw/zinc/89/23/82/921892382.db2.gz NBVLFVUJPUEJTN-STQMWFEESA-N 2 0 287.404 -0.664 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)C1CC([NH2+]CC(=O)N(C)C)C1 ZINC001508155562 921917328 /nfs/dbraw/zinc/91/73/28/921917328.db2.gz PQXWFELNJMUQAS-UHFFFAOYSA-N 2 0 298.431 -0.006 20 0 CBADRP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C[C@@H]1COCC[NH2+]1 ZINC001514531130 922202029 /nfs/dbraw/zinc/20/20/29/922202029.db2.gz OSHYWWZITXNKPP-NQBHXWOUSA-N 2 0 253.346 -0.295 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001515514884 922235788 /nfs/dbraw/zinc/23/57/88/922235788.db2.gz NPZBJCUVEFPVGT-LBELIVKGSA-N 2 0 264.373 -0.949 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(C)CC1CC[NH2+]CC1 ZINC001515496108 922236687 /nfs/dbraw/zinc/23/66/87/922236687.db2.gz HOFLOTMUTPOFPY-PWSUYJOCSA-N 2 0 257.378 -0.339 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C)[NH+](C)C ZINC001520328818 922305404 /nfs/dbraw/zinc/30/54/04/922305404.db2.gz KSPCGETVXBFBMQ-UPJWGTAASA-N 2 0 268.405 -0.169 20 0 CBADRP O=C(C[NH+]1CCC(CO)CC1)NCC[C@@H]1CC[NH2+]C1 ZINC001521152385 922336746 /nfs/dbraw/zinc/33/67/46/922336746.db2.gz UUGQKSIUYGQLQB-LBPRGKRZSA-N 2 0 269.389 -0.194 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001521194661 922341400 /nfs/dbraw/zinc/34/14/00/922341400.db2.gz LDDKMWRQRZSYGQ-GFCCVEGCSA-N 2 0 285.388 -0.551 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001521454202 922358545 /nfs/dbraw/zinc/35/85/45/922358545.db2.gz FYFUGWUNAVLGGO-DMDPSCGWSA-N 2 0 257.378 -0.054 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001521445274 922358191 /nfs/dbraw/zinc/35/81/91/922358191.db2.gz GLNMQYUOHQIIFR-RNJOBUHISA-N 2 0 269.389 -0.054 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001521476724 922358848 /nfs/dbraw/zinc/35/88/48/922358848.db2.gz NACJCRPOKYGHTQ-ZDEQEGDKSA-N 2 0 267.373 -0.361 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001521496249 922359559 /nfs/dbraw/zinc/35/95/59/922359559.db2.gz RPSMPHBVLPYREN-JSGCOSHPSA-N 2 0 269.389 -0.051 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001521526727 922366153 /nfs/dbraw/zinc/36/61/53/922366153.db2.gz HCVJNHDRJBJDLX-DMDPSCGWSA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@@H]1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC001521697148 922374461 /nfs/dbraw/zinc/37/44/61/922374461.db2.gz HMNXIDVHXLGQAM-DYEKYZERSA-N 2 0 269.389 -0.066 20 0 CBADRP C[C@H]([NH3+])CONC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC001521806882 922379511 /nfs/dbraw/zinc/37/95/11/922379511.db2.gz MHTVYXFGDRITJD-ONGXEEELSA-N 2 0 267.333 -0.184 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCN1C[C@H]2C ZINC001521899195 922386262 /nfs/dbraw/zinc/38/62/62/922386262.db2.gz UBDKJJJIAREGDI-JHJVBQTASA-N 2 0 266.389 -0.415 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001521919470 922391953 /nfs/dbraw/zinc/39/19/53/922391953.db2.gz QSCGGVBZLRCUJR-ZDUSSCGKSA-N 2 0 284.404 -0.752 20 0 CBADRP [NH3+]C[C@@H](O)CNC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC001522028335 922394088 /nfs/dbraw/zinc/39/40/88/922394088.db2.gz JIBRAHXYYIHGBG-MRVPVSSYSA-N 2 0 255.343 -0.557 20 0 CBADRP [NH3+][C@H]1CC[C@H](C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CC1 ZINC001521974054 922394782 /nfs/dbraw/zinc/39/47/82/922394782.db2.gz MUOGAQWZWAXZSC-GMTAPVOTSA-N 2 0 253.346 -0.249 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC001522251270 922404351 /nfs/dbraw/zinc/40/43/51/922404351.db2.gz QYVYUXAINPKSPV-NEPJUHHUSA-N 2 0 257.378 -0.195 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2NC(=O)C[C@]23CC[NH2+]C3)C1 ZINC001522310283 922407898 /nfs/dbraw/zinc/40/78/98/922407898.db2.gz AQHHYKATYKENFD-MFKMUULPSA-N 2 0 266.345 -0.676 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001522325710 922408203 /nfs/dbraw/zinc/40/82/03/922408203.db2.gz FXOWWICKNWZSGN-LMLFDSFASA-N 2 0 255.362 -0.269 20 0 CBADRP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC[NH2+]C[C@@H]1CO ZINC001522419568 922414148 /nfs/dbraw/zinc/41/41/48/922414148.db2.gz YTJSYGKGKXJEFO-BDAKNGLRSA-N 2 0 263.288 -0.976 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)C[C@H]1CC[NH3+] ZINC001522596077 922480639 /nfs/dbraw/zinc/48/06/39/922480639.db2.gz BILYRNJOUIJZQV-UTUOFQBUSA-N 2 0 255.362 -0.192 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCCN1CCC([NH3+])CC1 ZINC001522639082 922492907 /nfs/dbraw/zinc/49/29/07/922492907.db2.gz JGDWCKRQHXHSSL-VXGBXAGGSA-N 2 0 268.405 -0.101 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001523507120 922595627 /nfs/dbraw/zinc/59/56/27/922595627.db2.gz JGPSEEQZOMELLL-YYHQMBLXSA-N 2 0 264.373 -0.616 20 0 CBADRP CN1CCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)CC[N@H+](C)CC1 ZINC001523482658 922597977 /nfs/dbraw/zinc/59/79/77/922597977.db2.gz UQBWLSSMJCSIGZ-HIFRSBDPSA-N 2 0 280.416 -0.308 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CCC[C@]23CC[NH2+]C3)nn1 ZINC001523571668 922601595 /nfs/dbraw/zinc/60/15/95/922601595.db2.gz KEBBPJSVQBTKEK-GFCCVEGCSA-N 2 0 264.333 -0.795 20 0 CBADRP O=C([C@H]1CCC[NH2+]1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001524009956 922613310 /nfs/dbraw/zinc/61/33/10/922613310.db2.gz ZCILDLHYGDOCJL-AGIUHOORSA-N 2 0 267.373 -0.204 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001524029226 922615179 /nfs/dbraw/zinc/61/51/79/922615179.db2.gz KDLKGHGLGJHMFG-UTUOFQBUSA-N 2 0 256.394 -0.280 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)C1(C[NH3+])CC(O)C1 ZINC001524119389 922620484 /nfs/dbraw/zinc/62/04/84/922620484.db2.gz DUCCSDLLMIUIOV-UHFFFAOYSA-N 2 0 255.362 -0.456 20 0 CBADRP CN(C(=O)CO[C@@H]1CCC[NH2+]C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001524128506 922621751 /nfs/dbraw/zinc/62/17/51/922621751.db2.gz DUIAKADBBXWTSX-DCQANWLSSA-N 2 0 253.346 -0.569 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CC[N@@H+]2CC[C@H]1C2 ZINC001524241158 922625745 /nfs/dbraw/zinc/62/57/45/922625745.db2.gz USJFPVAVDWNIJX-AAEUAGOBSA-N 2 0 253.346 -0.593 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001525574926 922674703 /nfs/dbraw/zinc/67/47/03/922674703.db2.gz BJKZDXOWZQDJJM-TXEJJXNPSA-N 2 0 284.404 -0.347 20 0 CBADRP CCN1CC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001543383395 923288972 /nfs/dbraw/zinc/28/89/72/923288972.db2.gz KIDQNWHOWKKPDW-VXGBXAGGSA-N 2 0 254.378 -0.557 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CCO3)C1 ZINC001548546838 923370678 /nfs/dbraw/zinc/37/06/78/923370678.db2.gz DPMAGWIIQZHMCU-SCRDCRAPSA-N 2 0 267.373 -0.177 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001548552954 923374105 /nfs/dbraw/zinc/37/41/05/923374105.db2.gz MUORIWJCKATMGD-KBPBESRZSA-N 2 0 280.416 -0.166 20 0 CBADRP CN1CCN(c2cc[nH+]cc2NC(=O)C[C@H](O)C[NH3+])CC1 ZINC001548554289 923374579 /nfs/dbraw/zinc/37/45/79/923374579.db2.gz FQWYXCYLYDFXPT-NSHDSACASA-N 2 0 293.371 -0.518 20 0 CBADRP C[C@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCO3)CC[N@@H+]1C ZINC001548552183 923375858 /nfs/dbraw/zinc/37/58/58/923375858.db2.gz FAFWTXCRGUGVAU-SFTQSGBHSA-N 2 0 267.373 -0.036 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC001548554557 923376251 /nfs/dbraw/zinc/37/62/51/923376251.db2.gz ALELIQUXEOGOIG-TVQRCGJNSA-N 2 0 278.356 -0.118 20 0 CBADRP C[NH2+]C1CC(C(=O)N2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC001548556900 923378206 /nfs/dbraw/zinc/37/82/06/923378206.db2.gz GJMFJPNPUNGTRR-BPCQOVAHSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@H](c1cccnc1)N1CCN(C(=O)C[C@H](O)C[NH3+])CC1 ZINC001548555606 923378862 /nfs/dbraw/zinc/37/88/62/923378862.db2.gz TYWDFFZCRBJFFB-OCCSQVGLSA-N 2 0 292.383 -0.004 20 0 CBADRP C[C@]1(CNC(=O)[C@]23C[NH2+]C[C@H]2CCO3)CCC[NH2+]C1 ZINC001548555759 923379096 /nfs/dbraw/zinc/37/90/96/923379096.db2.gz UKISKNHHELVMJM-XBFCOCLRSA-N 2 0 267.373 -0.129 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548556098 923379470 /nfs/dbraw/zinc/37/94/70/923379470.db2.gz AAEAULAUPQHBEX-WDCWCFNPSA-N 2 0 257.309 -0.819 20 0 CBADRP C[NH2+]C1CC(C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])C1 ZINC001548555050 923380099 /nfs/dbraw/zinc/38/00/99/923380099.db2.gz IOBHDKACDLIFCD-HCWSGVFWSA-N 2 0 255.362 -0.051 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)C1=NOC2(C1)CC[NH2+]CC2)C(F)F ZINC001548557455 923380342 /nfs/dbraw/zinc/38/03/42/923380342.db2.gz WBBAQDBCBSSEQV-MRVPVSSYSA-N 2 0 290.314 -0.016 20 0 CBADRP O=C(C1=NO[C@@]2(C1)CCC[NH2+]C2)N1CCN(CCO)CC1 ZINC001548557039 923380828 /nfs/dbraw/zinc/38/08/28/923380828.db2.gz FCHRFLSQWPUHMR-CQSZACIVSA-N 2 0 296.371 -0.979 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001548558592 923382929 /nfs/dbraw/zinc/38/29/29/923382929.db2.gz OHKRTEHFTKIKFF-GMXVVIOVSA-N 2 0 273.352 -0.351 20 0 CBADRP COCC1(CNC(=O)[C@H]2C[NH2+]CCN2C)CC[NH2+]CC1 ZINC001548558215 923383008 /nfs/dbraw/zinc/38/30/08/923383008.db2.gz NVKMOMBZEKFIKV-GFCCVEGCSA-N 2 0 284.404 -0.978 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC001548558656 923383811 /nfs/dbraw/zinc/38/38/11/923383811.db2.gz XKYHJSQRHFOQNQ-AWEZNQCLSA-N 2 0 274.368 -0.190 20 0 CBADRP [NH3+]Cc1ncc(C(=O)NCC[C@H]2CSCC[NH2+]2)cn1 ZINC001548564227 923385692 /nfs/dbraw/zinc/38/56/92/923385692.db2.gz CGQRIBUONINYPF-JTQLQIEISA-N 2 0 281.385 -0.240 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)NCC[C@H]1CSCC[NH2+]1 ZINC001548562489 923386251 /nfs/dbraw/zinc/38/62/51/923386251.db2.gz DOWOPSUVEUNKSW-QWRGUYRKSA-N 2 0 273.402 -0.424 20 0 CBADRP [NH3+]Cc1nocc1C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001548566010 923391359 /nfs/dbraw/zinc/39/13/59/923391359.db2.gz RQUJVJWHWLZJES-MRVPVSSYSA-N 2 0 270.358 -0.042 20 0 CBADRP O=C(NCC[C@@H]1CSCC[NH2+]1)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548564889 923391987 /nfs/dbraw/zinc/39/19/87/923391987.db2.gz IKDAASLUMIZIOI-WZRBSPASSA-N 2 0 285.413 -0.424 20 0 CBADRP O=C(NCC[C@H]1CSCC[NH2+]1)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548564888 923392000 /nfs/dbraw/zinc/39/20/00/923392000.db2.gz IKDAASLUMIZIOI-MDZLAQPJSA-N 2 0 285.413 -0.424 20 0 CBADRP CC1(C)CN(C(=O)[C@]23C[NH2+]C[C@H]2CCO3)CC2(C[NH2+]C2)O1 ZINC001548575803 923401075 /nfs/dbraw/zinc/40/10/75/923401075.db2.gz JFTLSIGATLPFRY-ABAIWWIYSA-N 2 0 295.383 -0.656 20 0 CBADRP COCC[NH2+]CC(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548576228 923401234 /nfs/dbraw/zinc/40/12/34/923401234.db2.gz RYIRNFYXMXHHMD-UHFFFAOYSA-N 2 0 271.361 -0.798 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548575608 923401324 /nfs/dbraw/zinc/40/13/24/923401324.db2.gz GDBJRKUGLWYDAU-JTQLQIEISA-N 2 0 255.362 -0.051 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548578371 923403066 /nfs/dbraw/zinc/40/30/66/923403066.db2.gz VFIRMPWMSLFSMQ-UZRPSVAASA-N 2 0 265.357 -0.153 20 0 CBADRP CC1(C)CN(C(=O)C2([NH3+])CCC2)CC2(C[NH2+]C2)O1 ZINC001548579031 923403989 /nfs/dbraw/zinc/40/39/89/923403989.db2.gz PEVQUCDNKNUHMY-UHFFFAOYSA-N 2 0 253.346 -0.153 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548578502 923404474 /nfs/dbraw/zinc/40/44/74/923404474.db2.gz MXDZDPHXFCRDMF-NXEZZACHSA-N 2 0 255.362 -0.051 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CCC(OC3C[NH2+]C3)CC2)=NO1 ZINC001548588768 923406847 /nfs/dbraw/zinc/40/68/47/923406847.db2.gz YNHJWXKLIHMXSN-SNVBAGLBSA-N 2 0 282.344 -0.931 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC1(C[NH+](C)C)CCC1 ZINC001548700211 923460200 /nfs/dbraw/zinc/46/02/00/923460200.db2.gz STDOAMMVBPBSSB-STQMWFEESA-N 2 0 280.416 -0.025 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001548707940 923464214 /nfs/dbraw/zinc/46/42/14/923464214.db2.gz FXRDHICNIMGBBZ-IIAWOOMASA-N 2 0 292.427 -0.071 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC001548731532 923479398 /nfs/dbraw/zinc/47/93/98/923479398.db2.gz GTEBDGCEIPEXRH-MGPQQGTHSA-N 2 0 278.400 -0.319 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC001548725923 923479855 /nfs/dbraw/zinc/47/98/55/923479855.db2.gz KTOUJLZUJJZMTK-BYNSBNAKSA-N 2 0 292.427 -0.215 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC([NH+]2CCCC2)C1 ZINC001548726936 923482114 /nfs/dbraw/zinc/48/21/14/923482114.db2.gz AIKYZBNBARISAG-TZMCWYRMSA-N 2 0 278.400 -0.319 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001548743018 923491945 /nfs/dbraw/zinc/49/19/45/923491945.db2.gz CZFAZXXHKQNOOK-HNNXBMFYSA-N 2 0 299.415 -0.378 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549024719 923522792 /nfs/dbraw/zinc/52/27/92/923522792.db2.gz GWZMPSLKSMLWDY-AGIUHOORSA-N 2 0 266.389 -0.652 20 0 CBADRP [NH3+]Cc1cc(C(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)co1 ZINC001549045168 923534336 /nfs/dbraw/zinc/53/43/36/923534336.db2.gz ZLUWMXUBTLSEKZ-VXGBXAGGSA-N 2 0 265.313 -0.059 20 0 CBADRP O=C(CC1CC[NH2+]CC1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549045183 923536047 /nfs/dbraw/zinc/53/60/47/923536047.db2.gz JIBXWIVTUDEWPB-CHWSQXEVSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]CC1(C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)CCOCC1 ZINC001549045017 923536126 /nfs/dbraw/zinc/53/61/26/923536126.db2.gz PMGHAEUCSSUQSZ-RYUDHWBXSA-N 2 0 283.372 -0.669 20 0 CBADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549044986 923536612 /nfs/dbraw/zinc/53/66/12/923536612.db2.gz NEYGLMHZWYNADQ-VXGBXAGGSA-N 2 0 291.355 -0.742 20 0 CBADRP O=C(CC[C@H]1CC[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549045676 923537963 /nfs/dbraw/zinc/53/79/63/923537963.db2.gz GQBDGJPMWGKUQX-KBPBESRZSA-N 2 0 280.416 -0.118 20 0 CBADRP [NH3+]Cc1ccc(C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)o1 ZINC001549045212 923539005 /nfs/dbraw/zinc/53/90/05/923539005.db2.gz MFDCORWWSOGEOV-MNOVXSKESA-N 2 0 265.313 -0.059 20 0 CBADRP [NH3+]CC1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CCOCC1 ZINC001549046129 923539063 /nfs/dbraw/zinc/53/90/63/923539063.db2.gz IRCTVRHHLLYZSA-NSHDSACASA-N 2 0 271.361 -0.763 20 0 CBADRP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)C1 ZINC001549045232 923541268 /nfs/dbraw/zinc/54/12/68/923541268.db2.gz PISJICYUSPJXHX-WHOHXGKFSA-N 2 0 253.346 -0.297 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@@]3(F)CC[NH2+]C3)C2)nn1 ZINC001549046920 923543193 /nfs/dbraw/zinc/54/31/93/923543193.db2.gz CZAUTBFVFMSADS-DGCLKSJQSA-N 2 0 296.350 -0.398 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@]3(F)CC[NH2+]C3)C2)nn1 ZINC001549046919 923543715 /nfs/dbraw/zinc/54/37/15/923543715.db2.gz CZAUTBFVFMSADS-AAEUAGOBSA-N 2 0 296.350 -0.398 20 0 CBADRP [NH3+]Cc1cc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)ccn1 ZINC001549046615 923544750 /nfs/dbraw/zinc/54/47/50/923544750.db2.gz XUWYPZCCXTZJCC-CQSZACIVSA-N 2 0 289.383 -0.340 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[NH2+]C3)C[C@@H]2[NH3+])cn1 ZINC001549048998 923545841 /nfs/dbraw/zinc/54/58/41/923545841.db2.gz ZVELHVQQDWWGQN-DLOVCJGASA-N 2 0 263.345 -0.717 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001549048703 923546858 /nfs/dbraw/zinc/54/68/58/923546858.db2.gz FONYPVKTNXOHDN-FRRDWIJNSA-N 2 0 285.388 -0.295 20 0 CBADRP C[C@@H](C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)[C@H](C)[NH3+] ZINC001549047814 923546966 /nfs/dbraw/zinc/54/69/66/923546966.db2.gz ZQUQVZPRVCAXJJ-JFGNBEQYSA-N 2 0 280.376 -0.116 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C[C@H]3CCC[NH2+]3)C[C@@H]2[NH3+])cn1 ZINC001549048471 923547425 /nfs/dbraw/zinc/54/74/25/923547425.db2.gz MHZUMAPUNXUQDB-AGIUHOORSA-N 2 0 277.372 -0.185 20 0 CBADRP CC[NH2+]CC(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549048061 923547491 /nfs/dbraw/zinc/54/74/91/923547491.db2.gz IANJTAFCZPEDDX-MNOVXSKESA-N 2 0 251.334 -0.717 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C[C@@H]3C[NH2+]CCO3)C[C@@H]2[NH3+])cn1 ZINC001549049067 923547563 /nfs/dbraw/zinc/54/75/63/923547563.db2.gz CEFUBGQKEWZBQF-AGIUHOORSA-N 2 0 293.371 -0.948 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC001549048236 923547819 /nfs/dbraw/zinc/54/78/19/923547819.db2.gz BOWMVJTVSBUZSK-TZMCWYRMSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549049643 923549574 /nfs/dbraw/zinc/54/95/74/923549574.db2.gz FFOCAXSUYLENFT-WCQGTBRESA-N 2 0 265.361 -0.471 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)CC3([NH3+])CCC3)C[C@H]2[NH3+])cn1 ZINC001549051991 923549653 /nfs/dbraw/zinc/54/96/53/923549653.db2.gz VFWBSTQENJRQQL-VXGBXAGGSA-N 2 0 277.372 -0.055 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549052084 923550650 /nfs/dbraw/zinc/55/06/50/923550650.db2.gz VUAOFMMCDNDQEX-SYEHKZFSSA-N 2 0 277.372 -0.329 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@]3(C)CCC[NH2+]3)C[C@@H]2[NH3+])cn1 ZINC001549052819 923554196 /nfs/dbraw/zinc/55/41/96/923554196.db2.gz WQFHOROIHGQRJJ-SGMGOOAPSA-N 2 0 277.372 -0.185 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C[C@H]3COCC[NH2+]3)C[C@H]2[NH3+])cn1 ZINC001549052826 923555032 /nfs/dbraw/zinc/55/50/32/923555032.db2.gz WWGOMVUKMHUGGQ-RWMBFGLXSA-N 2 0 293.371 -0.948 20 0 CBADRP [NH3+]C[C@@]12CCC[C@H]1CN(CC(=O)N1CC[NH2+]CC1)C2 ZINC001549113687 923556870 /nfs/dbraw/zinc/55/68/70/923556870.db2.gz OUDNMIRXIWNZIL-GXTWGEPZSA-N 2 0 266.389 -0.521 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)[C@@]13C[NH2+]C[C@H]1COC3)C2 ZINC001549130453 923559994 /nfs/dbraw/zinc/55/99/94/923559994.db2.gz WDRGZXDFVVYRRK-PAPYEOQZSA-N 2 0 279.384 -0.190 20 0 CBADRP O=C([C@@H]1CCC[NH2+]CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549122126 923560773 /nfs/dbraw/zinc/56/07/73/923560773.db2.gz OYNUOAPHIPZQDR-ZIAGYGMSSA-N 2 0 280.416 -0.118 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)N1CC[N@@H+]2C[C@@H](O)C[C@@H]2C1 ZINC001549212445 923569612 /nfs/dbraw/zinc/56/96/12/923569612.db2.gz FUWSAQSJARAZLG-BEVNXUHPSA-N 2 0 280.372 -0.801 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549287419 923576968 /nfs/dbraw/zinc/57/69/68/923576968.db2.gz MHYGVXOJOZZOPJ-KZVDOYCCSA-N 2 0 267.373 -0.062 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)C[C@H]2CC[NH2+]C[C@@H]2F)CCCO1 ZINC001549291561 923580054 /nfs/dbraw/zinc/58/00/54/923580054.db2.gz ILUPZTHFLOPYRC-UTUOFQBUSA-N 2 0 273.352 -0.100 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)nn1 ZINC001549292595 923580971 /nfs/dbraw/zinc/58/09/71/923580971.db2.gz FRLDCQWCMOOCFG-YPMHNXCESA-N 2 0 292.387 -0.159 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549291733 923581985 /nfs/dbraw/zinc/58/19/85/923581985.db2.gz FKJCTKXMROXBMD-WOPDTQHZSA-N 2 0 265.361 -0.329 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)O1 ZINC001549293034 923582082 /nfs/dbraw/zinc/58/20/82/923582082.db2.gz QWJKLGPNAGQECR-GWNIPJSYSA-N 2 0 293.371 -0.950 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001549294337 923583655 /nfs/dbraw/zinc/58/36/55/923583655.db2.gz XIGDWDZFQZYADJ-QWRGUYRKSA-N 2 0 293.371 -0.405 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C[C@@H]1F)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549294249 923583693 /nfs/dbraw/zinc/58/36/93/923583693.db2.gz RIBBZWAVFFSKRK-CYDGBPFRSA-N 2 0 285.363 -0.087 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001549294335 923583783 /nfs/dbraw/zinc/58/37/83/923583783.db2.gz XIGDWDZFQZYADJ-MNOVXSKESA-N 2 0 293.371 -0.405 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001549294885 923584327 /nfs/dbraw/zinc/58/43/27/923584327.db2.gz CGIUHMKTZXUPKK-UHFFFAOYSA-N 2 0 290.371 -0.234 20 0 CBADRP O=C(NCC1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001549302055 923587703 /nfs/dbraw/zinc/58/77/03/923587703.db2.gz GGWNYQHCCSMFPX-KBPBESRZSA-N 2 0 281.400 -0.053 20 0 CBADRP [NH3+]CC1(C(=O)NCC23CC(C2)C[NH2+]3)CCOCC1 ZINC001549299800 923588624 /nfs/dbraw/zinc/58/86/24/923588624.db2.gz JXWXXJJFQSZHCO-UHFFFAOYSA-N 2 0 253.346 -0.390 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001549612853 923620625 /nfs/dbraw/zinc/62/06/25/923620625.db2.gz WBNXCDJAGJNOGC-AXFHLTTASA-N 2 0 256.350 -0.586 20 0 CBADRP C[C@H]([NH3+])CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549727997 923630472 /nfs/dbraw/zinc/63/04/72/923630472.db2.gz FBLVYTAIRYAZGO-PXWWUCIGSA-N 2 0 282.388 -0.513 20 0 CBADRP C[C@H]([NH3+])C(=O)NCc1cccc(N2CC[C@H]([NH3+])C2)n1 ZINC001549725785 923630488 /nfs/dbraw/zinc/63/04/88/923630488.db2.gz DGAMGAHFFIDZGE-UWVGGRQHSA-N 2 0 263.345 -0.418 20 0 CBADRP C[NH2+]CCC(=O)NCc1cccc(N2CC[C@@H]([NH3+])C2)n1 ZINC001549724947 923630574 /nfs/dbraw/zinc/63/05/74/923630574.db2.gz JKUNMKKPMOTBGG-LLVKDONJSA-N 2 0 277.372 -0.155 20 0 CBADRP CCC[C@H]([NH3+])C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549728915 923632452 /nfs/dbraw/zinc/63/24/52/923632452.db2.gz TZLKOBGIHPMFCW-OUCADQQQSA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549730377 923632795 /nfs/dbraw/zinc/63/27/95/923632795.db2.gz IUDIJGWZJXERBM-JVLSTEMRSA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@@H]([NH3+])C(=O)NCc1ccncc1O[C@@H]1CC[NH2+]C1 ZINC001549729208 923632878 /nfs/dbraw/zinc/63/28/78/923632878.db2.gz PPQNYYAWCPHVOG-MWLCHTKSSA-N 2 0 264.329 -0.214 20 0 CBADRP [NH3+]C1(CC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001549729345 923633047 /nfs/dbraw/zinc/63/30/47/923633047.db2.gz BKGFJFZEEAHRDS-BXUZGUMPSA-N 2 0 294.399 -0.369 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@]3(C)C[NH2+]CCO3)C[C@@H]2[NH3+])c1 ZINC001549732555 923633193 /nfs/dbraw/zinc/63/31/93/923633193.db2.gz DPQLTBRZOQYOAQ-UHIISALHSA-N 2 0 293.371 -0.948 20 0 CBADRP O=C(Nc1c[nH]nc1[C@@H]1CC[NH2+]C1)[C@H]1C[NH2+]CCO1 ZINC001549728457 923633232 /nfs/dbraw/zinc/63/32/32/923633232.db2.gz ACACKZHBNVHWBT-PSASIEDQSA-N 2 0 265.317 -0.587 20 0 CBADRP CC[NH2+]CC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549728464 923633331 /nfs/dbraw/zinc/63/33/31/923633331.db2.gz QVMLQCASTMQVLA-SMDDNHRTSA-N 2 0 282.388 -0.641 20 0 CBADRP CC(C)([NH3+])CC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549729101 923633496 /nfs/dbraw/zinc/63/34/96/923633496.db2.gz ZOXUBYQMHRQLRQ-BXUZGUMPSA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@H](C[NH3+])C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549732228 923633548 /nfs/dbraw/zinc/63/35/48/923633548.db2.gz QRQANMLGIKRZSX-IRUJWGPZSA-N 2 0 282.388 -0.656 20 0 CBADRP O=C(Nc1c[nH]nc1[C@H]1CC[NH2+]C1)[C@H]1C[NH2+]CCOC1 ZINC001549733075 923633689 /nfs/dbraw/zinc/63/36/89/923633689.db2.gz COCYMBUNZMXTEM-UWVGGRQHSA-N 2 0 279.344 -0.339 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)Nc1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001549732914 923633730 /nfs/dbraw/zinc/63/37/30/923633730.db2.gz XCXFSBNSWAMTCL-NXEZZACHSA-N 2 0 279.344 -0.196 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549731754 923634013 /nfs/dbraw/zinc/63/40/13/923634013.db2.gz OWTITQJZUCCFNV-WRZDFSGXSA-N 2 0 296.415 -0.267 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)C[C@H]2[NH3+])c1 ZINC001549736721 923635011 /nfs/dbraw/zinc/63/50/11/923635011.db2.gz VLTATBUSHAWUQQ-MXWKQRLJSA-N 2 0 263.345 -0.575 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[NH2+]C3)C[C@@H]2[NH3+])c1 ZINC001549735655 923635082 /nfs/dbraw/zinc/63/50/82/923635082.db2.gz MLFVYIIUBWQULN-AXFHLTTASA-N 2 0 263.345 -0.717 20 0 CBADRP Cn1cnc([C@H]2CN(C(=O)C(C)(C)C[NH3+])C[C@H]2[NH3+])c1 ZINC001549736841 923635138 /nfs/dbraw/zinc/63/51/38/923635138.db2.gz WQSHRROCMNVQGB-VHSXEESVSA-N 2 0 265.361 -0.342 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549735997 923635222 /nfs/dbraw/zinc/63/52/22/923635222.db2.gz OCQXQYDAKUAODM-GUBZILKMSA-N 2 0 251.334 -0.590 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[NH2+]3)C[C@H]2[NH3+])c1 ZINC001549736719 923635509 /nfs/dbraw/zinc/63/55/09/923635509.db2.gz VLTATBUSHAWUQQ-GMTAPVOTSA-N 2 0 263.345 -0.575 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@]3(F)CC[NH2+]C3)C[C@@H]2[NH3+])c1 ZINC001549736258 923635558 /nfs/dbraw/zinc/63/55/58/923635558.db2.gz ROVYVCJZJXOVHS-GBIKHYSHSA-N 2 0 281.335 -0.625 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@@]34CC[NH2+]C4)C[C@@H]2[NH3+])c1 ZINC001549735185 923635606 /nfs/dbraw/zinc/63/56/06/923635606.db2.gz FJVRGWJBPNDFEW-OXJKWZBOSA-N 2 0 289.383 -0.327 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[NH2+]C3)C[C@@H]2[NH3+])c1 ZINC001549735669 923635749 /nfs/dbraw/zinc/63/57/49/923635749.db2.gz MLFVYIIUBWQULN-MXWKQRLJSA-N 2 0 263.345 -0.717 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)C(C)(C)[NH3+])C[C@@H]2[NH3+])c1 ZINC001549735576 923636016 /nfs/dbraw/zinc/63/60/16/923636016.db2.gz MAKAXWDYCAFCDN-BDAKNGLRSA-N 2 0 251.334 -0.590 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH3+])C1 ZINC001549735303 923636061 /nfs/dbraw/zinc/63/60/61/923636061.db2.gz JBZYWIRSJFWLLH-HBNTYKKESA-N 2 0 265.361 -0.471 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCCC[NH2+]3)C[C@@H]2[NH3+])c1 ZINC001549735970 923636185 /nfs/dbraw/zinc/63/61/85/923636185.db2.gz NWRMJCGMSCVQRJ-GRYCIOLGSA-N 2 0 277.372 -0.185 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@]3(F)CC[NH2+]C3)C[C@@H]2[NH3+])c1 ZINC001549736260 923636280 /nfs/dbraw/zinc/63/62/80/923636280.db2.gz ROVYVCJZJXOVHS-NRUUGDAUSA-N 2 0 281.335 -0.625 20 0 CBADRP Cn1cnc([C@H]2CN(C(=O)C3([NH3+])CCCC3)C[C@@H]2[NH3+])c1 ZINC001549736788 923636549 /nfs/dbraw/zinc/63/65/49/923636549.db2.gz WPGXRTHGYYOFLG-QWRGUYRKSA-N 2 0 277.372 -0.055 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549743767 923637728 /nfs/dbraw/zinc/63/77/28/923637728.db2.gz UOHFPAHZZQVPDD-DLOVCJGASA-N 2 0 277.372 -0.186 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])C[C@H]2[NH3+])c1 ZINC001549740496 923638254 /nfs/dbraw/zinc/63/82/54/923638254.db2.gz WTGJLEWUCJSODO-WISYIIOYSA-N 2 0 277.372 -0.199 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])C[C@@H]2[NH3+])c1 ZINC001549740500 923638635 /nfs/dbraw/zinc/63/86/35/923638635.db2.gz WTGJLEWUCJSODO-WYUUTHIRSA-N 2 0 277.372 -0.199 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549740939 923638955 /nfs/dbraw/zinc/63/89/55/923638955.db2.gz SFHXCYQEYXYVPW-NOHGZBONSA-N 2 0 280.372 -0.903 20 0 CBADRP C[NH2+][C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549740846 923638972 /nfs/dbraw/zinc/63/89/72/923638972.db2.gz RAEMCBRYJCAPMP-XWIASGKRSA-N 2 0 282.388 -0.643 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549745564 923639603 /nfs/dbraw/zinc/63/96/03/923639603.db2.gz ZRKWCDWDUGFMAY-KXUCPTDWSA-N 2 0 251.334 -0.732 20 0 CBADRP Cn1cnc([C@H]2CN(C(=O)C3([NH3+])CCC3)C[C@@H]2[NH3+])c1 ZINC001549745592 923639889 /nfs/dbraw/zinc/63/98/89/923639889.db2.gz ZYRSWJQBRLETSG-UWVGGRQHSA-N 2 0 263.345 -0.445 20 0 CBADRP [NH3+]C[C@H](C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1)C1CCOCC1 ZINC001549750989 923641256 /nfs/dbraw/zinc/64/12/56/923641256.db2.gz KCUCRYXQRNJDPA-MJBXVCDLSA-N 2 0 297.399 -0.423 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549750201 923641686 /nfs/dbraw/zinc/64/16/86/923641686.db2.gz ZDQWSCBBHKFXJQ-FIQHERPVSA-N 2 0 277.372 -0.329 20 0 CBADRP C[C@]12C[NH2+]C[C@]1(C)CN(C(=O)[C@@]13C[NH2+]C[C@@H]1COC3)C2 ZINC001549898988 923644130 /nfs/dbraw/zinc/64/41/30/923644130.db2.gz GUZKIKYIIQEIJW-NMFUWQPSSA-N 2 0 279.384 -0.320 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001549884972 923644875 /nfs/dbraw/zinc/64/48/75/923644875.db2.gz MHCNCDYSWREZIO-YATPEIPISA-N 2 0 255.362 -0.003 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]C[C@@]23COCCN2C(=O)COC3)CC[NH2+]1 ZINC001549921147 923647599 /nfs/dbraw/zinc/64/75/99/923647599.db2.gz HSFCEBHBHCGYRC-BZPMIXESSA-N 2 0 283.372 -0.656 20 0 CBADRP CC1(C)CC[NH2+]CCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001549902226 923648275 /nfs/dbraw/zinc/64/82/75/923648275.db2.gz QBSCOTAMNGWBHF-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP CC1(C)CC[NH2+]CCN1C(=O)[C@@H]1OCC[C@@H]1C[NH3+] ZINC001549902189 923648352 /nfs/dbraw/zinc/64/83/52/923648352.db2.gz YZBOOKIVPBZIJD-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)C1(F)F ZINC001550060322 923662458 /nfs/dbraw/zinc/66/24/58/923662458.db2.gz IGQHFFPDJJKIIV-DOLQZWNJSA-N 2 0 275.299 -0.584 20 0 CBADRP O=C(CCC1C[NH2+]C1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001550061177 923663874 /nfs/dbraw/zinc/66/38/74/923663874.db2.gz WKNZBPXHSXQXFP-NEPJUHHUSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+]C1(C(=O)N[C@H]2CC[NH2+]C23CCC3)CCOCC1 ZINC001550074008 923665946 /nfs/dbraw/zinc/66/59/46/923665946.db2.gz RBOIGOSIRXQPMM-JTQLQIEISA-N 2 0 253.346 -0.105 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)[C@H]1OCC[C@@H]1[NH3+])C2 ZINC001550069399 923666316 /nfs/dbraw/zinc/66/63/16/923666316.db2.gz SLLZTFMJYPSQQZ-BLFANLJRSA-N 2 0 253.346 -0.310 20 0 CBADRP [NH3+][C@H](Cc1ncccn1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001550073443 923666638 /nfs/dbraw/zinc/66/66/38/923666638.db2.gz AJMCXVBKSPLYNZ-MNOVXSKESA-N 2 0 275.356 -0.253 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2OCC[C@@H]2[NH3+])CC1 ZINC001550076088 923667011 /nfs/dbraw/zinc/66/70/11/923667011.db2.gz FOHPTVCNNNYVET-STQMWFEESA-N 2 0 297.399 -0.184 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001550067947 923667530 /nfs/dbraw/zinc/66/75/30/923667530.db2.gz WBRDWHUNAWYGAC-YUSALJHKSA-N 2 0 265.361 -0.329 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550082467 923670085 /nfs/dbraw/zinc/67/00/85/923670085.db2.gz VYTKHXBSBULAGF-WOPDTQHZSA-N 2 0 267.373 -0.144 20 0 CBADRP O=C(NC[C@H]1CC12CC[NH2+]CC2)[C@@H]1C[NH2+]CCOC1 ZINC001550081002 923670473 /nfs/dbraw/zinc/67/04/73/923670473.db2.gz KTZYDWJWQGMSOC-VXGBXAGGSA-N 2 0 267.373 -0.272 20 0 CBADRP O=C(CC1CC[NH2+]CC1)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087661 923671394 /nfs/dbraw/zinc/67/13/94/923671394.db2.gz AZEDVIPYXSJLKR-CYBMUJFWSA-N 2 0 292.387 -0.182 20 0 CBADRP CC(C)(C)[C@H]([NH3+])C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087479 923671669 /nfs/dbraw/zinc/67/16/69/923671669.db2.gz VOJQEIRJVFXLHA-GHMZBOCLSA-N 2 0 280.376 -0.198 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087161 923672370 /nfs/dbraw/zinc/67/23/70/923672370.db2.gz OQXYTHLFMMLQTM-BXKDBHETSA-N 2 0 278.360 -0.431 20 0 CBADRP CC(C)(C)[C@H]([NH3+])C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087483 923672417 /nfs/dbraw/zinc/67/24/17/923672417.db2.gz VOJQEIRJVFXLHA-WDEREUQCSA-N 2 0 280.376 -0.198 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC001550088175 923672485 /nfs/dbraw/zinc/67/24/85/923672485.db2.gz NTCKGPPUVVRDGI-YPMHNXCESA-N 2 0 292.387 -0.230 20 0 CBADRP CCC[C@@](C)([NH3+])C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550088330 923672590 /nfs/dbraw/zinc/67/25/90/923672590.db2.gz NNAHWOCFWKYSIF-DGCLKSJQSA-N 2 0 280.376 -0.054 20 0 CBADRP [NH3+][C@@H]1C[C@H]1C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001550090195 923675171 /nfs/dbraw/zinc/67/51/71/923675171.db2.gz PXWVTZKSJMYOSB-YNEHKIRRSA-N 2 0 267.373 -0.049 20 0 CBADRP [NH3+][C@@H]1C[C@H]1C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001550090193 923675315 /nfs/dbraw/zinc/67/53/15/923675315.db2.gz PXWVTZKSJMYOSB-JHJVBQTASA-N 2 0 267.373 -0.049 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550089953 923675697 /nfs/dbraw/zinc/67/56/97/923675697.db2.gz YHPTYXDZWIRCHH-NWDGAFQWSA-N 2 0 267.373 -0.129 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001550090106 923675907 /nfs/dbraw/zinc/67/59/07/923675907.db2.gz UYTJMJMGPSEJQC-STQMWFEESA-N 2 0 285.388 -0.423 20 0 CBADRP C[NH2+][C@H](C)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001550093155 923677325 /nfs/dbraw/zinc/67/73/25/923677325.db2.gz YBJCBVYXLPOZAL-PWSUYJOCSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001550096312 923677602 /nfs/dbraw/zinc/67/76/02/923677602.db2.gz KFUPHUPMZHNLDA-ZMLRMANQSA-N 2 0 278.360 -0.492 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1)[NH+](C)C ZINC001550095151 923677936 /nfs/dbraw/zinc/67/79/36/923677936.db2.gz ADCMMBYQHPJIEF-VXGBXAGGSA-N 2 0 280.376 -0.150 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCN(C(=O)C[NH2+]C3CC3)C2)nn1 ZINC001550094580 923679025 /nfs/dbraw/zinc/67/90/25/923679025.db2.gz RORQSRZUSKBKNT-NSHDSACASA-N 2 0 264.333 -0.738 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001550096105 923679295 /nfs/dbraw/zinc/67/92/95/923679295.db2.gz VTRRNYGJHKZMIP-MWLCHTKSSA-N 2 0 266.349 -0.492 20 0 CBADRP C[C@@H](C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)[C@H](C)[NH3+] ZINC001550093098 923679399 /nfs/dbraw/zinc/67/93/99/923679399.db2.gz UCVARZXWRCSEOB-MDZLAQPJSA-N 2 0 296.415 -0.219 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCCC[NH2+]3)C2)nn1 ZINC001550097505 923681185 /nfs/dbraw/zinc/68/11/85/923681185.db2.gz SFNBITCMRAUYMD-NEPJUHHUSA-N 2 0 278.360 -0.348 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC001550097492 923681812 /nfs/dbraw/zinc/68/18/12/923681812.db2.gz OURBWANQRJYTBH-ZYHUDNBSSA-N 2 0 278.360 -0.490 20 0 CBADRP CO[C@@H]1C[NH2+][C@H](C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC001550103700 923684037 /nfs/dbraw/zinc/68/40/37/923684037.db2.gz HAGXLVGWXYMOSL-CYDGBPFRSA-N 2 0 267.373 -0.084 20 0 CBADRP C[C@H](C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)[NH+](C)C ZINC001550112111 923685934 /nfs/dbraw/zinc/68/59/34/923685934.db2.gz SZTMZUQSWQPYEH-MPKXVKKWSA-N 2 0 296.415 -0.301 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)nn1 ZINC001550110306 923686287 /nfs/dbraw/zinc/68/62/87/923686287.db2.gz UGRBMGAHTQLETF-JQWIXIFHSA-N 2 0 278.360 -0.407 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@H]1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550112662 923686662 /nfs/dbraw/zinc/68/66/62/923686662.db2.gz RBALBIZYDPRGAM-RWMBFGLXSA-N 2 0 297.399 -0.375 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3[C@H](C[NH3+])C3(F)F)C[C@@H]2[NH3+])c1 ZINC001550113073 923687173 /nfs/dbraw/zinc/68/71/73/923687173.db2.gz QEOXBQGSPUZDRZ-HJGDQZAQSA-N 2 0 299.325 -0.487 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)nn1 ZINC001550110305 923687354 /nfs/dbraw/zinc/68/73/54/923687354.db2.gz UGRBMGAHTQLETF-CMPLNLGQSA-N 2 0 278.360 -0.407 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550113649 923687477 /nfs/dbraw/zinc/68/74/77/923687477.db2.gz WZHYFIAJWVSTED-OUAUKWLOSA-N 2 0 253.346 -0.392 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550106913 923687706 /nfs/dbraw/zinc/68/77/06/923687706.db2.gz ZPXYASIUDZXCNY-FGLXMSFASA-N 2 0 253.346 -0.251 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550112661 923687856 /nfs/dbraw/zinc/68/78/56/923687856.db2.gz RBALBIZYDPRGAM-AVGNSLFASA-N 2 0 297.399 -0.375 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)C2)CC1 ZINC001550116773 923689000 /nfs/dbraw/zinc/68/90/00/923689000.db2.gz RPJWOOXYEPNBHI-MGPQQGTHSA-N 2 0 280.416 -0.038 20 0 CBADRP [NH3+]C[C@@H](C(=O)NC12CC(C[NH3+])(C1)C2)C1CCOCC1 ZINC001550118504 923689045 /nfs/dbraw/zinc/68/90/45/923689045.db2.gz ZQOZHCCHVVMWMZ-LMWSTFAQSA-N 2 0 267.373 -0.015 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550117170 923689244 /nfs/dbraw/zinc/68/92/44/923689244.db2.gz WQHGKVQGAURSNC-VXGBXAGGSA-N 2 0 254.378 -0.428 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[C@]34CC[NH2+]C4)C2)CC1 ZINC001550117100 923689997 /nfs/dbraw/zinc/68/99/97/923689997.db2.gz UZFLPTXNJQRROJ-FMKPAKJESA-N 2 0 292.427 -0.166 20 0 CBADRP [NH3+]CC12CC(NC(=O)c3[nH]nc4c3C[NH2+]CC4)(C1)C2 ZINC001550119475 923690065 /nfs/dbraw/zinc/69/00/65/923690065.db2.gz UVPVQLPLHIXAQC-UHFFFAOYSA-N 2 0 261.329 -0.333 20 0 CBADRP C[C@]12C[NH2+]C[C@@H]1CN(C(=O)[C@@]13C[NH2+]C[C@H]1COC3)C2 ZINC001550117425 923690426 /nfs/dbraw/zinc/69/04/26/923690426.db2.gz SOYFUKVMWSCPHH-ZMJPVWNMSA-N 2 0 265.357 -0.710 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550116816 923690860 /nfs/dbraw/zinc/69/08/60/923690860.db2.gz RYBGTPAGCNGPOI-QWHCGFSZSA-N 2 0 268.405 -0.167 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550116801 923690940 /nfs/dbraw/zinc/69/09/40/923690940.db2.gz RVRWNAJCLNXCEE-OLZOCXBDSA-N 2 0 268.405 -0.182 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550117321 923691316 /nfs/dbraw/zinc/69/13/16/923691316.db2.gz YIIZUWNBLCEZMM-OCCSQVGLSA-N 2 0 280.416 -0.025 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCC[NH2+]3)C2)CC1 ZINC001550116779 923691542 /nfs/dbraw/zinc/69/15/42/923691542.db2.gz RTVFVXIVONMKJD-UONOGXRCSA-N 2 0 280.416 -0.023 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)[C@@]3(F)CC[NH2+]C3)C2)CC1 ZINC001550117286 923692114 /nfs/dbraw/zinc/69/21/14/923692114.db2.gz XUZNQOVEVAYFBA-GXTWGEPZSA-N 2 0 284.379 -0.464 20 0 CBADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cn(CCC[NH3+])nn1 ZINC001550122415 923697032 /nfs/dbraw/zinc/69/70/32/923697032.db2.gz GHHINTHBZNZVKA-OLZOCXBDSA-N 2 0 292.387 -0.064 20 0 CBADRP F[C@@H]1C[NH2+][C@@H](CN2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC001550174820 923703384 /nfs/dbraw/zinc/70/33/84/923703384.db2.gz HBRSCGLWGSEFIE-YNEHKIRRSA-N 2 0 256.369 -0.334 20 0 CBADRP Cn1cc([C@@H]2CN(C[C@@H]3C[C@@H](F)C[NH2+]3)C[C@@H]2[NH3+])cn1 ZINC001550175733 923705101 /nfs/dbraw/zinc/70/51/01/923705101.db2.gz YRBMDLKBBARAQH-VOAKCMCISA-N 2 0 267.352 -0.153 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001550186587 923706139 /nfs/dbraw/zinc/70/61/39/923706139.db2.gz IMMGPSFNZMWZFZ-ZDEQEGDKSA-N 2 0 285.388 -0.295 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001550188773 923706523 /nfs/dbraw/zinc/70/65/23/923706523.db2.gz NUJZHTCMFQJEQK-CHWSQXEVSA-N 2 0 285.388 -0.423 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]([NH3+])CC3CC3)C[C@H]2[NH3+])c1 ZINC001550196628 923711335 /nfs/dbraw/zinc/71/13/35/923711335.db2.gz YDFDGVREBFGLQL-GRYCIOLGSA-N 2 0 277.372 -0.199 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)nn1 ZINC001550232356 923712098 /nfs/dbraw/zinc/71/20/98/923712098.db2.gz XRPSZXWQRPUTMT-AWEZNQCLSA-N 2 0 292.387 -0.157 20 0 CBADRP C[C@@]12C[NH2+]C[C@@H]1CN(C(=O)NCC13CC(C1)C[NH2+]3)C2 ZINC001550269223 923713331 /nfs/dbraw/zinc/71/33/31/923713331.db2.gz WBYWPBPBQNFHJS-QCKFIBFJSA-N 2 0 264.373 -0.011 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001550236589 923714008 /nfs/dbraw/zinc/71/40/08/923714008.db2.gz FLWBFOQWQHLKTE-OBJOEFQTSA-N 2 0 267.373 -0.299 20 0 CBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N2C[C@H](N)[C@@H]([NH3+])C2)C1 ZINC001550274464 923714278 /nfs/dbraw/zinc/71/42/78/923714278.db2.gz GMQIDCRXEYXCJW-DCAQKATOSA-N 2 0 269.393 -0.556 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001550349319 923719929 /nfs/dbraw/zinc/71/99/29/923719929.db2.gz MSZLUEVWXZJJNF-MGPQQGTHSA-N 3 0 252.406 -0.179 20 0 CBADRP CN1CC(=O)N(CC[N@@H+]2C[C@H]3CCC[C@@]3(C[NH3+])C2)C1=O ZINC001550436685 923728935 /nfs/dbraw/zinc/72/89/35/923728935.db2.gz JBHSILHQUFRJNL-BXUZGUMPSA-N 2 0 280.372 -0.059 20 0 CBADRP O[C@@H]1C[C@@H]2CN(C[C@H]3CC4(C[NH2+]C4)CO3)CC[N@@H+]2C1 ZINC001550436888 923731488 /nfs/dbraw/zinc/73/14/88/923731488.db2.gz VMBHHPBKDNCHCD-JHJVBQTASA-N 2 0 267.373 -0.884 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001550720778 923737505 /nfs/dbraw/zinc/73/75/05/923737505.db2.gz LUCHORHLDXHKME-BJDJZHNGSA-N 2 0 269.345 -1.000 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001550720781 923737531 /nfs/dbraw/zinc/73/75/31/923737531.db2.gz LUCHORHLDXHKME-FIQHERPVSA-N 2 0 269.345 -1.000 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001550722395 923738350 /nfs/dbraw/zinc/73/83/50/923738350.db2.gz QOKVKMQCAKJXGG-FIQHERPVSA-N 2 0 265.357 -0.093 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC001550720657 923738444 /nfs/dbraw/zinc/73/84/44/923738444.db2.gz LFAYYBLVKBYQFL-UHXUPSOCSA-N 2 0 265.357 -0.140 20 0 CBADRP COCCN1C(=O)N[C@@H]2C[N@@H+](CC3CC([NH3+])C3)CC[C@@H]21 ZINC001550704903 923739379 /nfs/dbraw/zinc/73/93/79/923739379.db2.gz PGWDGRUCOIYRMV-TUUUFIMRSA-N 2 0 282.388 -0.162 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001550733544 923741589 /nfs/dbraw/zinc/74/15/89/923741589.db2.gz BRSUBUBAABJLNC-ATJQQHLPSA-N 2 0 264.373 -0.011 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001550729918 923741697 /nfs/dbraw/zinc/74/16/97/923741697.db2.gz CFJHIFUMPMJVTO-XQQFMLRXSA-N 2 0 282.388 -0.384 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCC[C@@]12CC[NH2+]C2 ZINC001550733623 923741842 /nfs/dbraw/zinc/74/18/42/923741842.db2.gz XEWBSWKLXVXPEO-JSGCOSHPSA-N 2 0 282.388 -0.098 20 0 CBADRP [NH3+][C@]12CC[C@@H]1CN(C(=O)NCC13CC(C1)C[NH2+]3)C2 ZINC001550743968 923744218 /nfs/dbraw/zinc/74/42/18/923744218.db2.gz NFVGOYIBFPEIMV-QYABHDJLSA-N 2 0 250.346 -0.129 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC001550745853 923744694 /nfs/dbraw/zinc/74/46/94/923744694.db2.gz MPIKKVQBXFMWQH-DGCLKSJQSA-N 2 0 282.388 -0.234 20 0 CBADRP C[N@H+]1[C@H]2CN(C(=O)NCC34CC(C3)C[NH2+]4)C[C@H]2C[C@H]1CO ZINC001550744584 923745071 /nfs/dbraw/zinc/74/50/71/923745071.db2.gz PHRUCBJVRAJDBB-NRYGQCTKSA-N 2 0 294.399 -0.555 20 0 CBADRP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001550935060 923755885 /nfs/dbraw/zinc/75/58/85/923755885.db2.gz PBVJGFGIIXVVGZ-JHJVBQTASA-N 3 0 251.374 -0.094 20 0 CBADRP [NH3+][C@@H]1C[C@@H](O)[C@H](N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC001550934964 923756108 /nfs/dbraw/zinc/75/61/08/923756108.db2.gz OMUOJYJMVWTUSQ-RBRCJPGISA-N 3 0 294.443 -0.262 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2C[C@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC001551086321 923763883 /nfs/dbraw/zinc/76/38/83/923763883.db2.gz ZQUCEGZKOGDFIS-GDBMZVCRSA-N 2 0 294.443 -0.110 20 0 CBADRP [NH3+][C@H]1c2ccccc2C[C@@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC001551392155 923771751 /nfs/dbraw/zinc/77/17/51/923771751.db2.gz LOBMXTUGOMOHOL-STQMWFEESA-N 2 0 296.396 -0.649 20 0 CBADRP C[C@@H]1C(=O)NCCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC001551396831 923773136 /nfs/dbraw/zinc/77/31/36/923773136.db2.gz SQSVCLNPOOCPGL-BZPMIXESSA-N 2 0 267.373 -0.035 20 0 CBADRP CNC(=O)[C@@]12C[N@H+](CC(C)(C)[NH3+])C[C@H]1COCC2 ZINC001551408401 923776022 /nfs/dbraw/zinc/77/60/22/923776022.db2.gz KKBWGHYPCFPFBH-GWCFXTLKSA-N 2 0 255.362 -0.192 20 0 CBADRP CNC(=O)[C@@]12C[N@H+](C[C@@H]3CC[NH2+]C3)C[C@@H]1COCC2 ZINC001551411906 923780363 /nfs/dbraw/zinc/78/03/63/923780363.db2.gz UPYJETQMJHODPW-BZPMIXESSA-N 2 0 267.373 -0.320 20 0 CBADRP CNC(=O)[C@@]12C[N@H+](C[C@@H]3CCC[NH2+]3)C[C@H]1COCC2 ZINC001551411837 923780531 /nfs/dbraw/zinc/78/05/31/923780531.db2.gz ULRFOLKELPYXKE-OBJOEFQTSA-N 2 0 267.373 -0.177 20 0 CBADRP CNC(=O)[C@@]12C[N@H+](C[C@H]3CCC[NH2+]3)C[C@H]1COCC2 ZINC001551411841 923781523 /nfs/dbraw/zinc/78/15/23/923781523.db2.gz ULRFOLKELPYXKE-SCRDCRAPSA-N 2 0 267.373 -0.177 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)C[C@@]2(C)C1 ZINC001551462833 923795874 /nfs/dbraw/zinc/79/58/74/923795874.db2.gz DMTDLZTXHJDSCF-HYFYGGESSA-N 2 0 279.384 -0.084 20 0 CBADRP C[NH2+][C@H](C)C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001551464393 923796084 /nfs/dbraw/zinc/79/60/84/923796084.db2.gz KUMMIMJISDCVEF-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+][C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C12CCOCC2 ZINC001551463507 923796776 /nfs/dbraw/zinc/79/67/76/923796776.db2.gz IGEVKIBBBSYGDM-NWBUJAPZSA-N 2 0 295.383 -0.482 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](C(=O)N2CC[NH2+]CCC23CCOCC3)O1 ZINC001551467696 923797360 /nfs/dbraw/zinc/79/73/60/923797360.db2.gz LUJVSZQFDHCNKT-QWHCGFSZSA-N 2 0 297.399 -0.266 20 0 CBADRP [NH3+]C1(CNC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001551465961 923798313 /nfs/dbraw/zinc/79/83/13/923798313.db2.gz KHFKHONRVPLPNU-NSHDSACASA-N 2 0 282.388 -0.064 20 0 CBADRP [NH3+]CCNC(=O)NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001551473002 923798418 /nfs/dbraw/zinc/79/84/18/923798418.db2.gz NOOYSNXMCIJUOL-UHFFFAOYSA-N 2 0 291.399 -0.150 20 0 CBADRP [NH3+][C@@H]1c2ccccc2C[C@@H]1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC001551501910 923800052 /nfs/dbraw/zinc/80/00/52/923800052.db2.gz FXLCFYDDVCLRAA-KWCYVHTRSA-N 2 0 290.367 -0.101 20 0 CBADRP [NH3+][C@@H]1CC12CCC(NC(=O)NC[C@H]1COCC[NH2+]1)CC2 ZINC001551549880 923802738 /nfs/dbraw/zinc/80/27/38/923802738.db2.gz KIJXELPRIFIWHA-MRFPXMQZSA-N 2 0 282.388 -0.066 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)[C@@H](C)C1 ZINC001551581716 923803779 /nfs/dbraw/zinc/80/37/79/923803779.db2.gz OVBSZFSFXFGJDO-NHTUMMBNSA-N 2 0 296.415 -0.037 20 0 CBADRP [NH3+][C@@H]1CC12CCC(NC(=O)NCCN1CC[NH2+]CC1)CC2 ZINC001551571696 923805261 /nfs/dbraw/zinc/80/52/61/923805261.db2.gz RNHZVCDWTVKNNU-JVWICGRDSA-N 2 0 295.431 -0.149 20 0 CBADRP CO[C@@H]1C[C@@H](C[NH3+])N(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001551569315 923805393 /nfs/dbraw/zinc/80/53/93/923805393.db2.gz OLSDDPPVVFZJMO-LGVBIDJRSA-N 2 0 268.361 -0.376 20 0 CBADRP C[C@@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)NC1CC2(C[C@@H]2[NH3+])C1 ZINC001551618856 923807957 /nfs/dbraw/zinc/80/79/57/923807957.db2.gz YWVKTNYICNILDW-FOVPLOTGSA-N 2 0 296.415 -0.037 20 0 CBADRP CN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)C1CC[NH+](C)CC1 ZINC001552087440 923829302 /nfs/dbraw/zinc/82/93/02/923829302.db2.gz WAFHBOXCIDNYGP-GFCCVEGCSA-N 2 0 292.387 -0.021 20 0 CBADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552086420 923829523 /nfs/dbraw/zinc/82/95/23/923829523.db2.gz GVCNROHOHQHJRH-BBBLOLIVSA-N 2 0 264.333 -0.626 20 0 CBADRP Cc1c([C@H]2C[NH2+]C[C@H]2C(=O)NCC[NH+](C)C)cnn1C ZINC001552087180 923829591 /nfs/dbraw/zinc/82/95/91/923829591.db2.gz LTIMZYCMFFSXRY-CHWSQXEVSA-N 2 0 279.388 -0.291 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CCC[C@@H]2C[NH2+]C[C@H]21 ZINC001552087929 923829751 /nfs/dbraw/zinc/82/97/51/923829751.db2.gz PKLBZXKVSZQSKJ-NQBHXWOUSA-N 2 0 290.371 -0.364 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCC[NH2+]C3)C[C@@H]2[NH3+])cn1 ZINC001552095169 923831971 /nfs/dbraw/zinc/83/19/71/923831971.db2.gz WFZQMSKPXZEYDL-AGIUHOORSA-N 2 0 292.387 -0.392 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552158655 923836828 /nfs/dbraw/zinc/83/68/28/923836828.db2.gz PMFCRLLHYQVYHB-ZIAGYGMSSA-N 2 0 280.416 -0.357 20 0 CBADRP O=C(c1cn([C@H]2CC[NH2+]C2)nn1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001552157976 923837468 /nfs/dbraw/zinc/83/74/68/923837468.db2.gz AMCNIKVOMOVQGV-AXFHLTTASA-N 2 0 276.344 -0.896 20 0 CBADRP [NH3+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH2+]CCOC1 ZINC001552160524 923838816 /nfs/dbraw/zinc/83/88/16/923838816.db2.gz CHIFXLBVYNEMCI-FOIKRFTLSA-N 2 0 267.373 -0.049 20 0 CBADRP O=C([C@@H]1C[C@@H]1C1CC[NH2+]CC1)N1CCO[C@@H]2C[NH2+]C[C@H]21 ZINC001552160024 923839235 /nfs/dbraw/zinc/83/92/35/923839235.db2.gz IHNDCBJZCYDQLX-AAVRWANBSA-N 2 0 279.384 -0.179 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552161620 923839665 /nfs/dbraw/zinc/83/96/65/923839665.db2.gz OLWZNNBJRCUTQN-BDAKNGLRSA-N 2 0 252.322 -0.863 20 0 CBADRP CN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1CC[NH2+]C1 ZINC001552160872 923840283 /nfs/dbraw/zinc/84/02/83/923840283.db2.gz MUQAVQZRLJEQPT-VHSXEESVSA-N 2 0 264.333 -0.754 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NC[C@@H]2CC[NH2+]C2)cnn1C ZINC001552161487 923840318 /nfs/dbraw/zinc/84/03/18/923840318.db2.gz OBPPTNWXVBFJOS-KWCYVHTRSA-N 2 0 291.399 -0.243 20 0 CBADRP O=C(N[C@@H]1CCO[C@H]1C1CC[NH2+]CC1)[C@@H]1C[NH2+]CCOC1 ZINC001552159950 923840531 /nfs/dbraw/zinc/84/05/31/923840531.db2.gz HHDPDFDPSMGJGG-MCIONIFRSA-N 2 0 297.399 -0.504 20 0 CBADRP C[NH2+]CC1CCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC001552163496 923841928 /nfs/dbraw/zinc/84/19/28/923841928.db2.gz RFYPACYDVMWFCI-GFCCVEGCSA-N 2 0 292.387 -0.116 20 0 CBADRP C[C@@H]([NH3+])CCNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552163835 923841939 /nfs/dbraw/zinc/84/19/39/923841939.db2.gz XMPQSRKQADCBLI-RKDXNWHRSA-N 2 0 252.322 -0.720 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552163494 923842624 /nfs/dbraw/zinc/84/26/24/923842624.db2.gz QZZDTSKCAORUKP-WDEREUQCSA-N 2 0 278.360 -0.458 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H](C)[NH3+])cnn1C ZINC001552163277 923842724 /nfs/dbraw/zinc/84/27/24/923842724.db2.gz CJYRLONWUIJLFX-UWJYBYFXSA-N 2 0 265.361 -0.505 20 0 CBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552164197 923844868 /nfs/dbraw/zinc/84/48/68/923844868.db2.gz PYVLWPLCTKAUES-CMPLNLGQSA-N 2 0 290.371 -0.316 20 0 CBADRP CC(C)[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCOC2)CC[NH2+]1 ZINC001552164488 923845695 /nfs/dbraw/zinc/84/56/95/923845695.db2.gz WGHCRMOMAOQJKQ-RYUDHWBXSA-N 2 0 255.362 -0.321 20 0 CBADRP CN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)C1(C[NH3+])CCC1 ZINC001552164601 923845802 /nfs/dbraw/zinc/84/58/02/923845802.db2.gz YNYZFBGEPZNQRR-SNVBAGLBSA-N 2 0 278.360 -0.234 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552195213 923846691 /nfs/dbraw/zinc/84/66/91/923846691.db2.gz SNTDSFOQBYJILM-WZRBSPASSA-N 2 0 253.346 -0.662 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552195411 923847112 /nfs/dbraw/zinc/84/71/12/923847112.db2.gz XDAGUYTYUQCFLP-NOHGZBONSA-N 2 0 253.346 -0.534 20 0 CBADRP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552194075 923847953 /nfs/dbraw/zinc/84/79/53/923847953.db2.gz JXAKKQRTRNVVRY-CTUDEFNLSA-N 2 0 265.357 -0.378 20 0 CBADRP [NH3+]CC1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552195232 923848129 /nfs/dbraw/zinc/84/81/29/923848129.db2.gz VTNNUEQZPPJIEC-DGCLKSJQSA-N 2 0 253.346 -0.580 20 0 CBADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552194664 923848267 /nfs/dbraw/zinc/84/82/67/923848267.db2.gz OIKPSODFHURNAF-NTZNESFSSA-N 2 0 253.346 -0.519 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC001552194529 923848469 /nfs/dbraw/zinc/84/84/69/923848469.db2.gz MFQPQKTZESOHBD-QWHCGFSZSA-N 2 0 296.415 -0.310 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552194942 923848548 /nfs/dbraw/zinc/84/85/48/923848548.db2.gz OVGSCNTWGDMJEK-KZVDOYCCSA-N 2 0 267.373 -0.192 20 0 CBADRP CC(C)(CNC(=O)[C@@]12C[NH2+]C[C@H]1COC2)N1CCOCC1 ZINC001552199841 923854792 /nfs/dbraw/zinc/85/47/92/923854792.db2.gz KRGAXANBXFGHEK-SWLSCSKDSA-N 2 0 297.399 -0.551 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552199711 923855413 /nfs/dbraw/zinc/85/54/13/923855413.db2.gz GQMJODHPDIPOPW-NQBHXWOUSA-N 2 0 253.346 -0.710 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552200454 923856342 /nfs/dbraw/zinc/85/63/42/923856342.db2.gz CLKDGBLJAFYSMI-MISXGVKJSA-N 2 0 265.357 -0.425 20 0 CBADRP C[NH+]1CCC(CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552201697 923858547 /nfs/dbraw/zinc/85/85/47/923858547.db2.gz SMJKEBHLICCHPF-TZMCWYRMSA-N 2 0 267.373 -0.320 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552201111 923858554 /nfs/dbraw/zinc/85/85/54/923858554.db2.gz RKGZKOFWNKHRGY-MBNYWOFBSA-N 2 0 267.373 -0.320 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552201587 923860672 /nfs/dbraw/zinc/86/06/72/923860672.db2.gz SMXKZEBLJVXSQX-MBNYWOFBSA-N 2 0 283.372 -0.941 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552202476 923861676 /nfs/dbraw/zinc/86/16/76/923861676.db2.gz GTTLDJYBYIKFEV-HNCHTBHHSA-N 2 0 253.346 -0.663 20 0 CBADRP CC1(C)C[NH2+][C@@H]1CNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552202774 923862278 /nfs/dbraw/zinc/86/22/78/923862278.db2.gz ONZUACLDQRGXFW-GIPNMCIBSA-N 2 0 253.346 -0.663 20 0 CBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552202498 923862752 /nfs/dbraw/zinc/86/27/52/923862752.db2.gz HIRCEGICWARJGR-JTNHKYCSSA-N 2 0 265.357 -0.519 20 0 CBADRP O=C(N1CCC[C@]2(CC[NH2+]C2)C1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552202827 923862894 /nfs/dbraw/zinc/86/28/94/923862894.db2.gz QTULKJAIFQWRJU-NWANDNLSSA-N 2 0 279.384 -0.176 20 0 CBADRP O=C(N1CCC2(C1)CC[NH2+]CC2)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552202462 923863066 /nfs/dbraw/zinc/86/30/66/923863066.db2.gz GRFJOYDHVDSDPJ-DOMZBBRYSA-N 2 0 279.384 -0.176 20 0 CBADRP C[C@]1(CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CCC[NH2+]C1 ZINC001552202141 923863174 /nfs/dbraw/zinc/86/31/74/923863174.db2.gz BETIBCYMOFRUJJ-FPMFFAJLSA-N 2 0 267.373 -0.272 20 0 CBADRP C[C@]1(CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CCC[NH2+]C1 ZINC001552202143 923863702 /nfs/dbraw/zinc/86/37/02/923863702.db2.gz BETIBCYMOFRUJJ-XBFCOCLRSA-N 2 0 267.373 -0.272 20 0 CBADRP [NH3+]Cc1ccc(CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)cc1 ZINC001552203302 923866109 /nfs/dbraw/zinc/86/61/09/923866109.db2.gz ABSHWXIOZIVPDD-DZGCQCFKSA-N 2 0 275.352 -0.003 20 0 CBADRP [NH3+]Cc1ccc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)cc1 ZINC001552203308 923866349 /nfs/dbraw/zinc/86/63/49/923866349.db2.gz ABSHWXIOZIVPDD-UKRRQHHQSA-N 2 0 275.352 -0.003 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)cn1 ZINC001552204192 923866585 /nfs/dbraw/zinc/86/65/85/923866585.db2.gz OHBNIJKUVJNMNP-SMDDNHRTSA-N 2 0 293.371 -0.381 20 0 CBADRP [NH3+]C[C@H](NC(=O)[C@@]12C[NH2+]C[C@H]1COC2)C1CCCC1 ZINC001552205420 923867844 /nfs/dbraw/zinc/86/78/44/923867844.db2.gz XVVSZRDKEHYMMB-SGMGOOAPSA-N 2 0 267.373 -0.144 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552205899 923868308 /nfs/dbraw/zinc/86/83/08/923868308.db2.gz SVXKQVCYUFPBKA-YRGRVCCFSA-N 2 0 267.373 -0.177 20 0 CBADRP [NH3+]C[C@@H](NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)C(F)(F)F ZINC001552210911 923868882 /nfs/dbraw/zinc/86/88/82/923868882.db2.gz YXAQJLLLDPJNQS-HTRCEHHLSA-N 2 0 292.265 -0.568 20 0 CBADRP CN(C(=O)[C@]12C[NH2+]C[C@@H]1COC2)[C@H]1CC[N@H+](C)C1 ZINC001552215368 923869143 /nfs/dbraw/zinc/86/91/43/923869143.db2.gz FZDJDOBDQHITEV-MDZLAQPJSA-N 2 0 253.346 -0.615 20 0 CBADRP [NH3+]C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1COC2)C1CCCC1 ZINC001552205416 923869750 /nfs/dbraw/zinc/86/97/50/923869750.db2.gz XVVSZRDKEHYMMB-DYEKYZERSA-N 2 0 267.373 -0.144 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)NC[C@H]1COCC[NH2+]1)C2 ZINC001552245229 923873736 /nfs/dbraw/zinc/87/37/36/923873736.db2.gz FBNFFCVPYTYJCT-DYEKYZERSA-N 2 0 282.388 -0.255 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)C[C@@H]1n1ccnn1 ZINC001552257721 923874171 /nfs/dbraw/zinc/87/41/71/923874171.db2.gz ZJACRPSLGFYUEF-NDBYEHHHSA-N 2 0 290.371 -0.481 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001552249723 923874438 /nfs/dbraw/zinc/87/44/38/923874438.db2.gz QBHMQHZNQXSENB-RYDUCSDGSA-N 2 0 292.387 -0.393 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)C[C@H]1n1ccnn1 ZINC001552257715 923875388 /nfs/dbraw/zinc/87/53/88/923875388.db2.gz ZJACRPSLGFYUEF-FVCCEPFGSA-N 2 0 290.371 -0.481 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C[C@H]1C[NH3+] ZINC001552275006 923876313 /nfs/dbraw/zinc/87/63/13/923876313.db2.gz UBMOLHXHXIIWTE-UZWSLXQKSA-N 2 0 253.346 -0.724 20 0 CBADRP [NH3+]CC1CCC(NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552274179 923877014 /nfs/dbraw/zinc/87/70/14/923877014.db2.gz IFENRWVZYBAZFV-YFTKGUKSSA-N 2 0 267.373 -0.144 20 0 CBADRP CC(C)([NH3+])CCNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552283428 923880018 /nfs/dbraw/zinc/88/00/18/923880018.db2.gz SCXRSLHSOZANSH-SECBINFHSA-N 2 0 266.349 -0.330 20 0 CBADRP N[C@@H]1CN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C[C@@H]1[NH3+] ZINC001552282191 923880045 /nfs/dbraw/zinc/88/00/45/923880045.db2.gz HYSYBOZDKBWUDW-GUTXKFCHSA-N 2 0 274.368 -0.586 20 0 CBADRP CCC1([NH3+])CCN(C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC001552284220 923880536 /nfs/dbraw/zinc/88/05/36/923880536.db2.gz XAXLHVWWOKPPSW-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP N[C@@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@H]1[NH3+] ZINC001552282531 923880656 /nfs/dbraw/zinc/88/06/56/923880656.db2.gz LEJVJIWFGKDUHH-RHTIQSCQSA-N 2 0 266.389 -0.363 20 0 CBADRP Nc1cc[nH+]c(CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)c1 ZINC001552284775 923882592 /nfs/dbraw/zinc/88/25/92/923882592.db2.gz OPGIQKHSOXHPJT-TVQRCGJNSA-N 2 0 262.313 -0.484 20 0 CBADRP N[C@@H]1CN(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001552293028 923883672 /nfs/dbraw/zinc/88/36/72/923883672.db2.gz NTLRGHWBBLNRLV-IGQOVBAYSA-N 2 0 295.431 -0.212 20 0 CBADRP [NH3+]CC1(CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC001552336190 923884654 /nfs/dbraw/zinc/88/46/54/923884654.db2.gz AOCMKNPJVBYABA-LBPRGKRZSA-N 2 0 281.404 -0.586 20 0 CBADRP C[C@@H]1CN(C(=O)N2C[C@H](N)[C@@H]([NH3+])C2)CC[N@@H+](C2CC2)C1 ZINC001552294072 923886666 /nfs/dbraw/zinc/88/66/66/923886666.db2.gz XRKKLXHSUMDKAR-DRZSPHRISA-N 2 0 281.404 -0.507 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CCCO1 ZINC001552340462 923887705 /nfs/dbraw/zinc/88/77/05/923887705.db2.gz PLGNCXZWVVTRAK-GRYCIOLGSA-N 2 0 270.377 -0.127 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]C[C@@H]2F)CCCO1 ZINC001552348475 923888130 /nfs/dbraw/zinc/88/81/30/923888130.db2.gz FZNHSNYRVMGBLV-KXUCPTDWSA-N 2 0 260.313 -0.945 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001552344955 923888483 /nfs/dbraw/zinc/88/84/83/923888483.db2.gz ZRMCJURVEBMBJE-VWYCJHECSA-N 2 0 256.350 -0.647 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)N[C@@H]3C[NH2+]C[C@@H]3F)C[C@@H]2[NH3+])cn1 ZINC001552349538 923888681 /nfs/dbraw/zinc/88/86/81/923888681.db2.gz HOFZIUCJOAFOLN-FIQHERPVSA-N 2 0 296.350 -0.834 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001552353463 923890931 /nfs/dbraw/zinc/89/09/31/923890931.db2.gz PATLXQMEGWOJPB-QWHCGFSZSA-N 2 0 295.431 -0.327 20 0 CBADRP Cc1c(C(=O)NCC[C@@H]2CC[NH2+]C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552419322 923895294 /nfs/dbraw/zinc/89/52/94/923895294.db2.gz MVMIRIACBPHSRG-NWDGAFQWSA-N 2 0 292.387 -0.150 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC001552417853 923896040 /nfs/dbraw/zinc/89/60/40/923896040.db2.gz GNKUAIBOROCMGN-JTQLQIEISA-N 2 0 278.360 -0.234 20 0 CBADRP Cc1c(C(=O)N2CC[NH2+]C[C@@H]2C)nnn1[C@@H]1CC[NH2+]C1 ZINC001552419226 923896178 /nfs/dbraw/zinc/89/61/78/923896178.db2.gz LWEVVXUMHBDMFB-GXSJLCMTSA-N 2 0 278.360 -0.445 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH2+]C2)C1 ZINC001552418873 923896235 /nfs/dbraw/zinc/89/62/35/923896235.db2.gz AGJMKYOXGQCQNZ-CHWSQXEVSA-N 2 0 296.415 -0.310 20 0 CBADRP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CC[NH2+]CC1 ZINC001552418143 923897087 /nfs/dbraw/zinc/89/70/87/923897087.db2.gz DEQZTFAJAHFGOD-NSHDSACASA-N 2 0 278.360 -0.362 20 0 CBADRP C[C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001552420326 923898436 /nfs/dbraw/zinc/89/84/36/923898436.db2.gz HSNSOWMAENBCHO-JTQLQIEISA-N 2 0 278.360 -0.364 20 0 CBADRP Cc1c(C(=O)N[C@H](C[NH3+])C2CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552420269 923899133 /nfs/dbraw/zinc/89/91/33/923899133.db2.gz OMZPJWTWJRXPPX-GHMZBOCLSA-N 2 0 278.360 -0.412 20 0 CBADRP Cc1c(C(=O)N(C)[C@H]2CC[NH2+]C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552420581 923899704 /nfs/dbraw/zinc/89/97/04/923899704.db2.gz UMWMHCKTPJNOIK-WDEREUQCSA-N 2 0 278.360 -0.445 20 0 CBADRP Cc1c(C(=O)N2CCC[C@H]2C[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552420436 923899730 /nfs/dbraw/zinc/89/97/30/923899730.db2.gz YRXBBWQISSANSA-WDEREUQCSA-N 2 0 278.360 -0.316 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)c1nnn([C@H]2CC[NH2+]C2)c1C ZINC001552420216 923899910 /nfs/dbraw/zinc/89/99/10/923899910.db2.gz GHQJHBSIEFZQGE-RYUDHWBXSA-N 2 0 292.387 -0.055 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+]C1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001552436591 923903593 /nfs/dbraw/zinc/90/35/93/923903593.db2.gz QUNIHJJDCUECCQ-VXGBXAGGSA-N 2 0 292.387 -0.068 20 0 CBADRP C[NH2+][C@@H](C)CNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C ZINC001552437122 923904769 /nfs/dbraw/zinc/90/47/69/923904769.db2.gz JJNYBHOGIMBXEW-WCBMZHEXSA-N 2 0 266.349 -0.541 20 0 CBADRP C[NH2+][C@@H](C)CNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C ZINC001552437124 923904783 /nfs/dbraw/zinc/90/47/83/923904783.db2.gz JJNYBHOGIMBXEW-WPRPVWTQSA-N 2 0 266.349 -0.541 20 0 CBADRP Cc1c(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)nnn1[C@H]1CC[NH2+]C1 ZINC001552436770 923904906 /nfs/dbraw/zinc/90/49/06/923904906.db2.gz HDJJTBGWWFONHJ-ZMLRMANQSA-N 2 0 292.387 -0.151 20 0 CBADRP Cc1c(C(=O)N(C)C2CC([NH3+])C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552438427 923907173 /nfs/dbraw/zinc/90/71/73/923907173.db2.gz NYLQWUHUXBPRHR-YVNMAJEFSA-N 2 0 278.360 -0.317 20 0 CBADRP Cc1c(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552437847 923907511 /nfs/dbraw/zinc/90/75/11/923907511.db2.gz JHUKKFQKUCEKAO-TUAOUCFPSA-N 2 0 292.387 -0.022 20 0 CBADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001552438962 923907974 /nfs/dbraw/zinc/90/79/74/923907974.db2.gz WTBISGUMIGNIRK-MWLCHTKSSA-N 2 0 278.360 -0.236 20 0 CBADRP Cc1c(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552437848 923908045 /nfs/dbraw/zinc/90/80/45/923908045.db2.gz JHUKKFQKUCEKAO-UTUOFQBUSA-N 2 0 292.387 -0.022 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C ZINC001552440535 923909671 /nfs/dbraw/zinc/90/96/71/923909671.db2.gz XPPVVCQCLBVBOV-SCZZXKLOSA-N 2 0 266.349 -0.541 20 0 CBADRP O=C([C@@H]1CCCC[NH2+]C1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC001552440682 923909977 /nfs/dbraw/zinc/90/99/77/923909977.db2.gz DXKTXLIPGQTYMH-GRYCIOLGSA-N 2 0 253.346 -0.425 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C ZINC001552440538 923910866 /nfs/dbraw/zinc/91/08/66/923910866.db2.gz XPPVVCQCLBVBOV-WPRPVWTQSA-N 2 0 266.349 -0.541 20 0 CBADRP [NH3+]C[C@H]1C[C@@H](F)CN1Cc1cnn2c1C[NH2+]CC2 ZINC001552686329 923913543 /nfs/dbraw/zinc/91/35/43/923913543.db2.gz CLJNCYBCRLIHRR-GHMZBOCLSA-N 2 0 253.325 -0.143 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(Cc2cnn3c2C[NH2+]CC3)CCO1 ZINC001552687654 923915510 /nfs/dbraw/zinc/91/55/10/923915510.db2.gz VQFFDUACNRQMMU-MFKMUULPSA-N 2 0 265.361 -0.466 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)c1cnc(C2CC[NH2+]CC2)[nH]1 ZINC001552694972 923915709 /nfs/dbraw/zinc/91/57/09/923915709.db2.gz CKRZWKLPFALXIR-LLVKDONJSA-N 2 0 293.371 -0.405 20 0 CBADRP [NH3+][C@H]1COCCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC001552762155 923915745 /nfs/dbraw/zinc/91/57/45/923915745.db2.gz HJZJXQRSQURDHG-NXEZZACHSA-N 2 0 279.344 -0.714 20 0 CBADRP CCO[C@H]1CN(Cc2cnn3c2C[NH2+]CC3)C[C@H]1C[NH3+] ZINC001552687092 923917393 /nfs/dbraw/zinc/91/73/93/923917393.db2.gz NOFLMTSGKWKPMH-RISCZKNCSA-N 2 0 279.388 -0.218 20 0 CBADRP O=C(NCC1C[NH2+]C1)c1cnc(C2CC[NH2+]CC2)[nH]1 ZINC001552694443 923917504 /nfs/dbraw/zinc/91/75/04/923917504.db2.gz VJFIUQMDHNWEIB-UHFFFAOYSA-N 2 0 263.345 -0.174 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1n1cc(C(=O)N2CC[NH2+]CC2)nn1 ZINC001552686556 923917919 /nfs/dbraw/zinc/91/79/19/923917919.db2.gz VRIIZBUBKKGOAB-ZYHUDNBSSA-N 2 0 278.360 -0.234 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC001552837453 923919370 /nfs/dbraw/zinc/91/93/70/923919370.db2.gz ZTFJSKABIBUNHO-BQBZGAKWSA-N 2 0 288.302 -0.173 20 0 CBADRP C[C@H]([NH3+])CNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC001552837544 923920211 /nfs/dbraw/zinc/92/02/11/923920211.db2.gz ICNVSDQLILBLCK-BQBZGAKWSA-N 2 0 288.302 -0.173 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@]23CCC[C@H]2[NH2+]CC3)CCO1 ZINC001552837403 923921009 /nfs/dbraw/zinc/92/10/09/923921009.db2.gz YDFXDJOOAVBBHK-NQBHXWOUSA-N 2 0 253.346 -0.295 20 0 CBADRP CCN(CC[NH3+])C(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C ZINC001552846215 923922122 /nfs/dbraw/zinc/92/21/22/923922122.db2.gz VRQQUUNDFCHIOG-SNVBAGLBSA-N 2 0 266.349 -0.458 20 0 CBADRP Cc1c(C(=O)N(C)C[C@H](C)[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552847534 923922430 /nfs/dbraw/zinc/92/24/30/923922430.db2.gz AVBJCTDDDVADIS-WCBMZHEXSA-N 2 0 266.349 -0.460 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@]23CCC[C@@H]2[NH2+]CC3)C[C@@H]1n1ccnn1 ZINC001552850788 923924160 /nfs/dbraw/zinc/92/41/60/923924160.db2.gz ISPUUTBRTBEJDA-UHXUPSOCSA-N 2 0 290.371 -0.479 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@H]3CCC[NH2+]3)C2)CC1 ZINC001552954907 923926722 /nfs/dbraw/zinc/92/67/22/923926722.db2.gz NESXYRNPLZVIPM-ZIAGYGMSSA-N 2 0 295.431 -0.230 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H](C[NH3+])C3CC3)C2)CC1 ZINC001552954997 923927297 /nfs/dbraw/zinc/92/72/97/923927297.db2.gz RRQXLEYVDSNVRV-KBPBESRZSA-N 2 0 295.431 -0.245 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)N[C@H]3CCC[NH2+]C3)C2)CC1 ZINC001552954576 923927495 /nfs/dbraw/zinc/92/74/95/923927495.db2.gz LHMKKAUWMNXNOC-KBPBESRZSA-N 2 0 295.431 -0.230 20 0 CBADRP N[C@@H]1CN(C(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)C[C@@H]1[NH3+] ZINC001552959909 923927676 /nfs/dbraw/zinc/92/76/76/923927676.db2.gz IAZGBWVJKLMBAG-FRRDWIJNSA-N 2 0 295.431 -0.021 20 0 CBADRP C([C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCO[C@@H]2C[NH2+]C[C@H]21 ZINC001553301456 923946039 /nfs/dbraw/zinc/94/60/39/923946039.db2.gz PYCJKFDIDKTULJ-BFHYXJOUSA-N 2 0 281.400 -0.182 20 0 CBADRP [NH3+][C@@H]1CN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@@H]1n1ccnn1 ZINC001553305340 923946700 /nfs/dbraw/zinc/94/67/00/923946700.db2.gz SFOYDTZTKWDWAS-CRWXNKLISA-N 2 0 292.387 -0.769 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CN(C)CC3)C1 ZINC001553348122 923952161 /nfs/dbraw/zinc/95/21/61/923952161.db2.gz IQXLXTGGVSXHQY-YRGRVCCFSA-N 2 0 266.389 -0.652 20 0 CBADRP CN1CC[C@]2(C(=O)N3CC[C@H]([NH3+])C3)C[NH2+]C[C@H]2C1 ZINC001553347510 923952641 /nfs/dbraw/zinc/95/26/41/923952641.db2.gz GMVSPRCFLHPEAO-GVXVVHGQSA-N 2 0 252.362 -0.913 20 0 CBADRP CN1CC[C@]2(C(=O)N3CCC(C[NH3+])CC3)C[NH2+]C[C@H]2C1 ZINC001553348813 923952946 /nfs/dbraw/zinc/95/29/46/923952946.db2.gz KIAVUCSSOPHFLX-ZFWWWQNUSA-N 2 0 280.416 -0.275 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCOC3)C1 ZINC001553349451 923953116 /nfs/dbraw/zinc/95/31/16/923953116.db2.gz OEJBHBGVHANZAV-LOWVWBTDSA-N 2 0 253.346 -0.567 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001553349098 923953398 /nfs/dbraw/zinc/95/33/98/923953398.db2.gz AZGZPERIAWNWCX-OUCADQQQSA-N 2 0 267.373 -0.190 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)[C@@]12C[NH2+]C[C@@H]1CCOC2 ZINC001553348402 923953938 /nfs/dbraw/zinc/95/39/38/923953938.db2.gz JNEJINYFMGERSY-GXTWGEPZSA-N 2 0 267.373 -0.272 20 0 CBADRP CN1CC[C@]2(C(=O)N3CCC[C@@H](C[NH3+])C3)C[NH2+]C[C@H]2C1 ZINC001553349872 923954484 /nfs/dbraw/zinc/95/44/84/923954484.db2.gz FBPZCTCZWDARJQ-YDHLFZDLSA-N 3 0 280.416 -0.275 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)c1csc(N2CC[NH2+]CC2)n1 ZINC001553352787 923955550 /nfs/dbraw/zinc/95/55/50/923955550.db2.gz FCKDDIJDGCIFKX-SNVBAGLBSA-N 2 0 295.412 -0.013 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CCOC3)CC[NH2+]1 ZINC001553354329 923955867 /nfs/dbraw/zinc/95/58/67/923955867.db2.gz IMURZJGAHFTYSV-NQBHXWOUSA-N 2 0 253.346 -0.567 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NC[C@@H]3CCC[NH2+]C3)C[NH2+]C[C@@H]2C1 ZINC001553355185 923956243 /nfs/dbraw/zinc/95/62/43/923956243.db2.gz UMIBBDMDYBGQGY-NFAWXSAZSA-N 3 0 280.416 -0.357 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CN(C)CC3)CC[NH2+]1 ZINC001553353525 923957357 /nfs/dbraw/zinc/95/73/57/923957357.db2.gz GAPFUADVAKGKSG-YRGRVCCFSA-N 2 0 266.389 -0.652 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CN(C)CC3)C1 ZINC001553354401 923957682 /nfs/dbraw/zinc/95/76/82/923957682.db2.gz QVONYKFGETVGHS-KCQAQPDRSA-N 2 0 280.416 -0.404 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@]12C[NH2+]C[C@@H]1CCOC2 ZINC001553352012 923957712 /nfs/dbraw/zinc/95/77/12/923957712.db2.gz FJIVBRFIZPCTBJ-SGMGOOAPSA-N 2 0 267.373 -0.272 20 0 CBADRP [NH3+]C[C@@H]1CCN(C(=O)c2csc(N3CC[NH2+]CC3)n2)C1 ZINC001553352063 923958223 /nfs/dbraw/zinc/95/82/23/923958223.db2.gz BQMAAJPHZKSZQP-JTQLQIEISA-N 2 0 295.412 -0.027 20 0 CBADRP CN1CCN(C(=O)[C@H]2CC23CCC([NH3+])CC3)[C@@H](C[NH3+])C1 ZINC001553358431 923959821 /nfs/dbraw/zinc/95/98/21/923959821.db2.gz HMBYTORUMKKZQI-SBEAFCBVSA-N 2 0 280.416 -0.005 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@]12C[NH2+]C[C@H]1CCOC2 ZINC001553358464 923960951 /nfs/dbraw/zinc/96/09/51/923960951.db2.gz PABWPWUZWNYACP-NQBHXWOUSA-N 2 0 255.362 -0.288 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCOC3)C1 ZINC001553357502 923961128 /nfs/dbraw/zinc/96/11/28/923961128.db2.gz IVKLXCFDCYQMSO-SGMGOOAPSA-N 2 0 267.373 -0.320 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(C)CC3)CC1 ZINC001553358702 923961587 /nfs/dbraw/zinc/96/15/87/923961587.db2.gz POTPFBIJPWZULH-DOMZBBRYSA-N 2 0 280.416 -0.262 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCOC3)CC1 ZINC001553358260 923962109 /nfs/dbraw/zinc/96/21/09/923962109.db2.gz NPVBAMJFRSWTQH-FZMZJTMJSA-N 2 0 267.373 -0.177 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@]12C[NH2+]C[C@H]1COCC2 ZINC001553360043 923963821 /nfs/dbraw/zinc/96/38/21/923963821.db2.gz XZQBBODONHMSTE-LOWVWBTDSA-N 2 0 255.362 -0.288 20 0 CBADRP CCN(CC(=O)N(C)C)C(=O)[C@]12C[NH2+]C[C@@H]1CN(C)CC2 ZINC001553396837 923971558 /nfs/dbraw/zinc/97/15/58/923971558.db2.gz LMJQQSUNKKQKQZ-IUODEOHRSA-N 2 0 296.415 -0.536 20 0 CBADRP [NH3+]C1CCC(NC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553401093 923972176 /nfs/dbraw/zinc/97/21/76/923972176.db2.gz FOWDFGMVEUHQHM-VJROTNAKSA-N 2 0 253.346 -0.108 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553403313 923973972 /nfs/dbraw/zinc/97/39/72/923973972.db2.gz XIGBHYXUURIIQL-WOPDTQHZSA-N 2 0 253.346 -0.284 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553403248 923974066 /nfs/dbraw/zinc/97/40/66/923974066.db2.gz WUDZKZQQMUGWBE-WYUUTHIRSA-N 2 0 253.346 -0.378 20 0 CBADRP [NH3+]CC1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553403193 923974624 /nfs/dbraw/zinc/97/46/24/923974624.db2.gz WHRMKVXEIAKVEJ-GRYCIOLGSA-N 2 0 253.346 -0.297 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553404009 923975007 /nfs/dbraw/zinc/97/50/07/923975007.db2.gz AWBOOYAVFIRNGJ-DAWVFNFOSA-N 2 0 253.346 -0.252 20 0 CBADRP [NH3+]CC1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553403196 923975609 /nfs/dbraw/zinc/97/56/09/923975609.db2.gz WHRMKVXEIAKVEJ-SDDRHHMPSA-N 2 0 253.346 -0.297 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)n1 ZINC001553405326 923976829 /nfs/dbraw/zinc/97/68/29/923976829.db2.gz CCRROUAQHVHBQA-GRYCIOLGSA-N 2 0 293.371 -0.097 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553406669 923979742 /nfs/dbraw/zinc/97/97/42/923979742.db2.gz GRWGWPOOAUDHNK-AXTSPUMRSA-N 2 0 275.299 -0.381 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1)C(F)F ZINC001553406644 923981015 /nfs/dbraw/zinc/98/10/15/923981015.db2.gz GPSDHJGZGVCXLJ-RYPBNFRJSA-N 2 0 263.288 -0.396 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553407118 923981146 /nfs/dbraw/zinc/98/11/46/923981146.db2.gz GUHNONVEMYDCFU-RHYQMDGZSA-N 2 0 253.346 -0.284 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553410366 923982800 /nfs/dbraw/zinc/98/28/00/923982800.db2.gz KXRHPDIZAWCPCY-ZOBORPQBSA-N 2 0 297.399 -0.267 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553409370 923984702 /nfs/dbraw/zinc/98/47/02/923984702.db2.gz JXKRXHUKBDYSDK-CYDGBPFRSA-N 2 0 283.372 -0.657 20 0 CBADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553409256 923984972 /nfs/dbraw/zinc/98/49/72/923984972.db2.gz MRMJQNLAEUIBIQ-DCAQKATOSA-N 2 0 255.362 -0.038 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C[C@H]1C[NH3+] ZINC001553425746 923993329 /nfs/dbraw/zinc/99/33/29/923993329.db2.gz TYNYRDUMCHKOSH-QNWJLWSRSA-N 2 0 283.372 -0.672 20 0 CBADRP C[N@@H+]1[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 923995234 /nfs/dbraw/zinc/99/52/34/923995234.db2.gz RARBCKGWHWBMRG-WZBKEBKWSA-N 2 0 295.383 -0.971 20 0 CBADRP [NH3+]C1CC(CCNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553427651 923997020 /nfs/dbraw/zinc/99/70/20/923997020.db2.gz JBIVYKUHWKHWKI-ULOBAINLSA-N 2 0 253.346 -0.251 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CCNC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553431990 923997891 /nfs/dbraw/zinc/99/78/91/923997891.db2.gz QMKKACZZSLHAMT-QNWJLWSRSA-N 2 0 267.373 -0.132 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[NH2+]CCC12CCOCC2 ZINC001553437958 923998451 /nfs/dbraw/zinc/99/84/51/923998451.db2.gz JUZJGFKTRQMMJZ-GFCCVEGCSA-N 2 0 282.388 -0.098 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1C[C@@H]([NH3+])C2(CCC2)C1 ZINC001553446970 924001769 /nfs/dbraw/zinc/00/17/69/924001769.db2.gz FLRBIGJGAJJKGS-QWHCGFSZSA-N 2 0 295.431 -0.245 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001553439885 924003472 /nfs/dbraw/zinc/00/34/72/924003472.db2.gz WLIRDYVDTGRPDH-FIQHERPVSA-N 2 0 252.362 -0.073 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[C@]3([NH3+])C2)C1 ZINC001553459441 924004117 /nfs/dbraw/zinc/00/41/17/924004117.db2.gz VPBWDKGYHVONMR-OBJOEFQTSA-N 2 0 282.388 -0.160 20 0 CBADRP [NH3+]C[C@H](NC(=O)N[C@H]1C[NH2+]CC12CCOCC2)C1CC1 ZINC001553494366 924009565 /nfs/dbraw/zinc/00/95/65/924009565.db2.gz BUBLISWRDHAYER-RYUDHWBXSA-N 2 0 282.388 -0.209 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N1CCC[C@@]12CC[NH2+]C2 ZINC001553490928 924011047 /nfs/dbraw/zinc/01/10/47/924011047.db2.gz IQVBJVLOABDTKV-AWEZNQCLSA-N 2 0 281.404 -0.571 20 0 CBADRP [NH3+]C[C@@H]1[C@H]2CN(C(=O)NC[C@H]3CCCC[NH2+]3)C[C@H]21 ZINC001553495753 924011401 /nfs/dbraw/zinc/01/14/01/924011401.db2.gz YNTCIIBBJOUONV-KKOKHZNYSA-N 2 0 252.362 -0.025 20 0 CBADRP C[C@H](C[NH3+])NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553497930 924012019 /nfs/dbraw/zinc/01/20/19/924012019.db2.gz RAMUJKXGEDHQQN-UTUOFQBUSA-N 2 0 270.377 -0.426 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553499419 924012990 /nfs/dbraw/zinc/01/29/90/924012990.db2.gz YSPUAIFOVIPWPV-QWRGUYRKSA-N 2 0 270.377 -0.209 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553498339 924013157 /nfs/dbraw/zinc/01/31/57/924013157.db2.gz TXRVQEFKUGCGBD-UPJWGTAASA-N 2 0 284.404 -0.036 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+]C1)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553498227 924014085 /nfs/dbraw/zinc/01/40/85/924014085.db2.gz RYVFAQLHUGEAED-VXGBXAGGSA-N 2 0 282.388 -0.336 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553499411 924014257 /nfs/dbraw/zinc/01/42/57/924014257.db2.gz YSPUAIFOVIPWPV-GHMZBOCLSA-N 2 0 270.377 -0.209 20 0 CBADRP [NH3+][C@H]1CN(C(=O)NC[C@@H]2CC[NH2+]C2)CC12CCOCC2 ZINC001553498341 924014385 /nfs/dbraw/zinc/01/43/85/924014385.db2.gz TYAAPKPCEYLUAN-NEPJUHHUSA-N 2 0 282.388 -0.255 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553498680 924014601 /nfs/dbraw/zinc/01/46/01/924014601.db2.gz VYMUCYBDYZUYQB-GHMZBOCLSA-N 2 0 270.377 -0.270 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553507180 924016846 /nfs/dbraw/zinc/01/68/46/924016846.db2.gz JXBZLYIDDDTMIY-GHMZBOCLSA-N 2 0 270.377 -0.338 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553503352 924017011 /nfs/dbraw/zinc/01/70/11/924017011.db2.gz PCYVUSKZXJQESK-MNOVXSKESA-N 2 0 270.377 -0.338 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCO2)CC12CCOCC2 ZINC001553505864 924017228 /nfs/dbraw/zinc/01/72/28/924017228.db2.gz UFZJDNPLOQRZMG-VXGBXAGGSA-N 2 0 298.387 -0.876 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553504946 924017972 /nfs/dbraw/zinc/01/79/72/924017972.db2.gz SYFWLYFFYPZGBH-AGIUHOORSA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001553515158 924018678 /nfs/dbraw/zinc/01/86/78/924018678.db2.gz JWASQAQORXMKJQ-PZWNZHSQSA-N 2 0 252.362 -0.170 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553514649 924018715 /nfs/dbraw/zinc/01/87/15/924018715.db2.gz QCSWHMFZSRYVQQ-QWRGUYRKSA-N 2 0 270.377 -0.209 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)NC[C@@H]3CCC[NH2+]3)C[C@@H]2[NH3+])c1 ZINC001553512281 924018876 /nfs/dbraw/zinc/01/88/76/924018876.db2.gz XXWANOIXVVKOBE-TUAOUCFPSA-N 2 0 292.387 -0.392 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553509099 924019557 /nfs/dbraw/zinc/01/95/57/924019557.db2.gz RYEKAVQNQWLGLQ-RYUDHWBXSA-N 2 0 282.388 -0.194 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@H]2CC[NH2+]C[C@H]2C1 ZINC001553512966 924019736 /nfs/dbraw/zinc/01/97/36/924019736.db2.gz FZGHGPZVNJLIML-FRRDWIJNSA-N 2 0 282.388 -0.384 20 0 CBADRP [NH3+][C@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)CC12CCC2 ZINC001553512263 924019938 /nfs/dbraw/zinc/01/99/38/924019938.db2.gz DOGDQFNODKPPAU-QWRGUYRKSA-N 2 0 268.361 -0.502 20 0 CBADRP [NH3+][C@]12CC[C@H]1CN(C(=O)NC[C@H]1COCC[NH2+]1)C2 ZINC001553513845 924020814 /nfs/dbraw/zinc/02/08/14/924020814.db2.gz IYSZMVKKAQZPGM-NHCYSSNCSA-N 2 0 254.334 -0.893 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553516118 924020930 /nfs/dbraw/zinc/02/09/30/924020930.db2.gz ZAGJWHMBOCDDBW-RWMBFGLXSA-N 2 0 284.404 -0.036 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001553517398 924020995 /nfs/dbraw/zinc/02/09/95/924020995.db2.gz SCUGAHCRAGFWCW-TZMCWYRMSA-N 2 0 282.388 -0.098 20 0 CBADRP [NH3+][C@@]12CC[C@@H]1CN(C(=O)NCC1([NH3+])CCOCC1)C2 ZINC001553517359 924021262 /nfs/dbraw/zinc/02/12/62/924021262.db2.gz RYEDBUAWSQQKEY-ZWNOBZJWSA-N 2 0 268.361 -0.373 20 0 CBADRP C[C@H]1C[NH2+]C[C@H]1CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC001553523577 924022440 /nfs/dbraw/zinc/02/24/40/924022440.db2.gz FUHDTWUWKGQPFE-URAGZPLESA-N 2 0 252.362 -0.025 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001553535205 924025110 /nfs/dbraw/zinc/02/51/10/924025110.db2.gz YWBVZMNWDRJCND-MGPQQGTHSA-N 2 0 295.431 -0.374 20 0 CBADRP [NH3+]CC1(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC001553534685 924025653 /nfs/dbraw/zinc/02/56/53/924025653.db2.gz YTXVUVIDTQJJJN-QWHCGFSZSA-N 2 0 296.415 -0.034 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001553531767 924026445 /nfs/dbraw/zinc/02/64/45/924026445.db2.gz FZZDLQYCWLARKO-CHWFTXMASA-N 2 0 252.362 -0.170 20 0 CBADRP [NH3+]C1(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC001553541298 924027683 /nfs/dbraw/zinc/02/76/83/924027683.db2.gz XGKSFUHFPKYDGW-NWDGAFQWSA-N 2 0 282.388 -0.282 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001553544618 924028347 /nfs/dbraw/zinc/02/83/47/924028347.db2.gz QTVINBQBOURMSQ-MIZYBKAJSA-N 2 0 256.325 -0.120 20 0 CBADRP [NH3+]C[C@@H]1[C@H]2CN(C(=O)N[C@@H]3CCC[NH2+]C[C@H]3F)C[C@H]21 ZINC001553549696 924028607 /nfs/dbraw/zinc/02/86/07/924028607.db2.gz NZCSSKFVPUBYQT-RMPHRYRLSA-N 2 0 270.352 -0.077 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001553545244 924029060 /nfs/dbraw/zinc/02/90/60/924029060.db2.gz RTCLGUYGQCHISF-UKKRHICBSA-N 2 0 256.325 -0.168 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)N[C@H]2C[NH2+]C[C@@H]2F)CC12CCOCC2 ZINC001553548491 924029553 /nfs/dbraw/zinc/02/95/53/924029553.db2.gz YQVMQBXFYDHLBF-GARJFASQSA-N 2 0 286.351 -0.554 20 0 CBADRP [NH3+]C1CC(NC(=O)N[C@H]2C[NH2+]CC23CCOCC3)C1 ZINC001553558394 924030417 /nfs/dbraw/zinc/03/04/17/924030417.db2.gz TVVPTMFXTPIINV-ILDUYXDCSA-N 2 0 268.361 -0.456 20 0 CBADRP CN(CCC[N@H+](C)CCC(=O)NC(N)=O)CC[NH+](C)C ZINC000411739343 282092325 /nfs/dbraw/zinc/09/23/25/282092325.db2.gz WIGOHMOTHCTNSH-UHFFFAOYSA-N 2 0 287.408 -0.613 20 0 CBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000423736809 282094043 /nfs/dbraw/zinc/09/40/43/282094043.db2.gz CAGIIAPCJSXERH-STQMWFEESA-N 2 0 285.388 -0.456 20 0 CBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000423742128 282093703 /nfs/dbraw/zinc/09/37/03/282093703.db2.gz INUNFUJAIBLITB-KGLIPLIRSA-N 2 0 299.415 -0.066 20 0 CBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424193362 282094879 /nfs/dbraw/zinc/09/48/79/282094879.db2.gz QOWXIVIHILQIEF-UTUOFQBUSA-N 2 0 255.362 -0.097 20 0 CBADRP O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000367829865 295667725 /nfs/dbraw/zinc/66/77/25/295667725.db2.gz CSJWFFFFNDXFIC-WCQYABFASA-N 2 0 267.373 -0.177 20 0 CBADRP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000337760333 214249041 /nfs/dbraw/zinc/24/90/41/214249041.db2.gz OPFRCMXAABZEAL-NSHDSACASA-N 2 0 263.407 -0.061 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000337834401 214280283 /nfs/dbraw/zinc/28/02/83/214280283.db2.gz CMFKEVADWXVMSL-WDEREUQCSA-N 2 0 268.361 -0.806 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000337839895 214282041 /nfs/dbraw/zinc/28/20/41/214282041.db2.gz FPJYWWGGMQLOMN-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)(C[NH3+])NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000573370379 334932070 /nfs/dbraw/zinc/93/20/70/334932070.db2.gz CKTJASWJFDAEJD-SECBINFHSA-N 2 0 266.349 -0.503 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000419129303 282190833 /nfs/dbraw/zinc/19/08/33/282190833.db2.gz APBPZDZESXGPQJ-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000423254373 282195716 /nfs/dbraw/zinc/19/57/16/282195716.db2.gz XVWPXIZZGRZWOH-LLVKDONJSA-N 2 0 282.388 -0.641 20 0 CBADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000331510899 282196063 /nfs/dbraw/zinc/19/60/63/282196063.db2.gz PNLXSZCRSWBTAU-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000126150642 187221132 /nfs/dbraw/zinc/22/11/32/187221132.db2.gz WAQJXYMAYJBAAE-SCRDCRAPSA-N 2 0 296.415 -0.171 20 0 CBADRP COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350921356 219070454 /nfs/dbraw/zinc/07/04/54/219070454.db2.gz SLGLNCMVFGGMNW-LLVKDONJSA-N 2 0 285.388 -0.062 20 0 CBADRP CC[N@H+](C)CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000126307812 187232060 /nfs/dbraw/zinc/23/20/60/187232060.db2.gz XERQOEUWLDYNRB-NSHDSACASA-N 2 0 258.366 -0.846 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000126316474 187232594 /nfs/dbraw/zinc/23/25/94/187232594.db2.gz ZSLVLJNTGWTDQK-AAEUAGOBSA-N 2 0 284.404 -0.362 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000419431645 290675951 /nfs/dbraw/zinc/67/59/51/290675951.db2.gz XMQCQOMMTOWXHV-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000423235467 282251230 /nfs/dbraw/zinc/25/12/30/282251230.db2.gz NBWJNCJOOYGQMM-NEPJUHHUSA-N 2 0 282.388 -0.511 20 0 CBADRP CCCC[N@H+](CCO)CCC(=O)N1CC[NH2+]CC1 ZINC000351478270 219100902 /nfs/dbraw/zinc/10/09/02/219100902.db2.gz XFFINACSZQRHCG-UHFFFAOYSA-N 2 0 257.378 -0.097 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000351515877 219110636 /nfs/dbraw/zinc/11/06/36/219110636.db2.gz DCZACLWHIQSAAY-ZYHUDNBSSA-N 2 0 280.372 -0.793 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351520448 219112158 /nfs/dbraw/zinc/11/21/58/219112158.db2.gz RTEOBWIKQBEARL-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](CC2CC2)CC1 ZINC000351518247 219113304 /nfs/dbraw/zinc/11/33/04/219113304.db2.gz CAMOPYRLRVVLIB-ZDUSSCGKSA-N 2 0 294.399 -0.591 20 0 CBADRP [NH3+]C[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000351530594 219115992 /nfs/dbraw/zinc/11/59/92/219115992.db2.gz BKNJPVPODXJCGA-STQMWFEESA-N 2 0 296.415 -0.122 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000351541898 219120504 /nfs/dbraw/zinc/12/05/04/219120504.db2.gz QKLNJFWREIXDCU-OLZOCXBDSA-N 2 0 294.399 -0.449 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351555241 219124766 /nfs/dbraw/zinc/12/47/66/219124766.db2.gz FKUDJVZHGSJXQL-LLVKDONJSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351557935 219125258 /nfs/dbraw/zinc/12/52/58/219125258.db2.gz QMDKPSTVTPVRNU-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000351556398 219125298 /nfs/dbraw/zinc/12/52/98/219125298.db2.gz NZOLKQFZOQUPAO-WZRBSPASSA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C(C)(C)C[NH+](C)C ZINC000351559708 219127083 /nfs/dbraw/zinc/12/70/83/219127083.db2.gz VKBXPARGTMZRIU-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C[C@H](O)C[NH+](C)C2CC2)[C@H](C)C1 ZINC000351584828 219136394 /nfs/dbraw/zinc/13/63/94/219136394.db2.gz XEWRCDDSMWMKQE-VNHYZAJKSA-N 2 0 285.432 -0.172 20 0 CBADRP C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351591687 219137597 /nfs/dbraw/zinc/13/75/97/219137597.db2.gz GGKHTDLMYFTPKX-JSGCOSHPSA-N 2 0 271.405 -0.560 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000423590439 290722522 /nfs/dbraw/zinc/72/25/22/290722522.db2.gz AZGCPPJVFFDJNC-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](O)[C@@H](C)C2)CC1 ZINC000351776033 219204146 /nfs/dbraw/zinc/20/41/46/219204146.db2.gz XNUKRIZNZYVONO-AAEUAGOBSA-N 2 0 269.389 -0.101 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CCC[NH+](C)CC1 ZINC000339364947 215122793 /nfs/dbraw/zinc/12/27/93/215122793.db2.gz IWCQCIDOTZQSSF-UHFFFAOYSA-N 2 0 272.393 -0.088 20 0 CBADRP [NH3+]CCCC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000573801017 334967042 /nfs/dbraw/zinc/96/70/42/334967042.db2.gz NMSWIRDKJAWACQ-SECBINFHSA-N 2 0 282.310 -0.322 20 0 CBADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000351993837 219280559 /nfs/dbraw/zinc/28/05/59/219280559.db2.gz LANMXYCUWRVEIC-JSGCOSHPSA-N 2 0 286.420 -0.034 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCN2CCC3)[C@@H](C)C[N@@H+]1C ZINC000352023961 219292457 /nfs/dbraw/zinc/29/24/57/219292457.db2.gz BVTIZAPZEFGLHS-HZSPNIEDSA-N 2 0 280.416 -0.073 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH+](CC2CC2)CC1 ZINC000091301115 180128941 /nfs/dbraw/zinc/12/89/41/180128941.db2.gz USYHVZONLKFTRR-CYBMUJFWSA-N 2 0 267.373 -0.081 20 0 CBADRP COCC[N@H+](C)CCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000091291159 180123096 /nfs/dbraw/zinc/12/30/96/180123096.db2.gz WRGSZKANFNSVMX-NSHDSACASA-N 2 0 275.418 -0.224 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091299137 180125705 /nfs/dbraw/zinc/12/57/05/180125705.db2.gz UFGKYXCJHXBKBX-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000091300372 180127612 /nfs/dbraw/zinc/12/76/12/180127612.db2.gz VISVJCYAWHDIRU-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH2+]CCCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668821 180224030 /nfs/dbraw/zinc/22/40/30/180224030.db2.gz STQPLQXNOYTTFU-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000106921843 186150840 /nfs/dbraw/zinc/15/08/40/186150840.db2.gz OJRQXBYDKUMGPX-STQMWFEESA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000106921845 186151635 /nfs/dbraw/zinc/15/16/35/186151635.db2.gz OJRQXBYDKUMGPX-OLZOCXBDSA-N 2 0 268.405 -0.167 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1=O ZINC000128532171 282704326 /nfs/dbraw/zinc/70/43/26/282704326.db2.gz IXEUNOCBILPOIM-JHJVBQTASA-N 2 0 296.415 -0.217 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000092495642 180396318 /nfs/dbraw/zinc/39/63/18/180396318.db2.gz JUMLVNILQWOJPW-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000092495641 180396604 /nfs/dbraw/zinc/39/66/04/180396604.db2.gz JUMLVNILQWOJPW-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP COC[C@]1(CNC(=O)C[C@H]2C[NH2+]CCO2)CCC[NH2+]1 ZINC000573844217 334971000 /nfs/dbraw/zinc/97/10/00/334971000.db2.gz QYGKOPBJKPOHCP-WCQYABFASA-N 2 0 271.361 -0.750 20 0 CBADRP CC[NH+](CC)CCC[C@H](C)NC(=O)CNC(=O)C[NH3+] ZINC000037623029 351399287 /nfs/dbraw/zinc/39/92/87/351399287.db2.gz ZTDCUBXGNVSUCV-NSHDSACASA-N 2 0 272.393 -0.312 20 0 CBADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCN1CC[NH+](C)CC1 ZINC000037760050 351402518 /nfs/dbraw/zinc/40/25/18/351402518.db2.gz DOPAVBPSIPCCDK-VXGBXAGGSA-N 2 0 256.394 -0.277 20 0 CBADRP CCC[C@](C)([NH3+])C(=O)NCCN1CC[NH+](C)CC1 ZINC000037760087 351402699 /nfs/dbraw/zinc/40/26/99/351402699.db2.gz QZNGYCDJZFAUCF-ZDUSSCGKSA-N 2 0 256.394 -0.133 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000042276764 351429047 /nfs/dbraw/zinc/42/90/47/351429047.db2.gz ZKUOONUNRGSGRZ-NWDGAFQWSA-N 2 0 255.362 -0.084 20 0 CBADRP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCN1CC[NH2+]CC1 ZINC000043499909 351441252 /nfs/dbraw/zinc/44/12/52/351441252.db2.gz KSRRKJMPEUUEGB-VXGBXAGGSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCN1CC[NH2+]CC1 ZINC000043499903 351441288 /nfs/dbraw/zinc/44/12/88/351441288.db2.gz KSRRKJMPEUUEGB-NEPJUHHUSA-N 2 0 254.378 -0.523 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)CNC(=O)C[NH3+] ZINC000037825219 351408584 /nfs/dbraw/zinc/40/85/84/351408584.db2.gz QCINRHJTAQZZOI-UHFFFAOYSA-N 2 0 258.366 -0.893 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000037826841 351408951 /nfs/dbraw/zinc/40/89/51/351408951.db2.gz YROXGBQYBBVXIN-GFCCVEGCSA-N 2 0 255.362 -0.081 20 0 CBADRP [NH3+]CCC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000037820620 351409247 /nfs/dbraw/zinc/40/92/47/351409247.db2.gz XZVWMPWJWNOADQ-UHFFFAOYSA-N 2 0 255.362 -0.094 20 0 CBADRP CC(=O)N1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000053298980 351526452 /nfs/dbraw/zinc/52/64/52/351526452.db2.gz KOOJASBGQJMLBS-UHFFFAOYSA-N 2 0 282.388 -0.638 20 0 CBADRP COC1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000053298611 351526655 /nfs/dbraw/zinc/52/66/55/351526655.db2.gz GSBSWNVICPYLKY-UHFFFAOYSA-N 2 0 255.362 -0.081 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000062899488 351576833 /nfs/dbraw/zinc/57/68/33/351576833.db2.gz CYGAJIBDEVAPKR-CQSZACIVSA-N 2 0 268.405 -0.260 20 0 CBADRP CC[C@@]1(C(=O)NCCN2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000062894012 351576961 /nfs/dbraw/zinc/57/69/61/351576961.db2.gz ASPUAACBPHUAOP-CQSZACIVSA-N 2 0 268.405 -0.260 20 0 CBADRP Cn1nccc1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063178296 351580484 /nfs/dbraw/zinc/58/04/84/351580484.db2.gz UWRLNRRQLLROQA-LLVKDONJSA-N 2 0 265.361 -0.293 20 0 CBADRP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179924 351580567 /nfs/dbraw/zinc/58/05/67/351580567.db2.gz RKPRQKUQWFKUTE-OLZOCXBDSA-N 2 0 298.431 -0.066 20 0 CBADRP CC(C)(C)NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179676 351580596 /nfs/dbraw/zinc/58/05/96/351580596.db2.gz IUUOAHAAJGPSEF-NSHDSACASA-N 2 0 284.404 -0.312 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCn2cccn2)C1 ZINC000063179951 351580780 /nfs/dbraw/zinc/58/07/80/351580780.db2.gz NIYQAJDPOPOXMK-GFCCVEGCSA-N 2 0 265.361 -0.330 20 0 CBADRP NC(=O)NC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000064344463 351586369 /nfs/dbraw/zinc/58/63/69/351586369.db2.gz KSIRPNGMNJZBCU-UHFFFAOYSA-N 2 0 298.387 -0.384 20 0 CBADRP CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000070171091 351635930 /nfs/dbraw/zinc/63/59/30/351635930.db2.gz AGJMWDSUYKLEDV-AWEZNQCLSA-N 2 0 296.415 -0.262 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000070174116 351636089 /nfs/dbraw/zinc/63/60/89/351636089.db2.gz SOPGWWSJIQKLCN-ZJUUUORDSA-N 2 0 254.334 -0.403 20 0 CBADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC000070189866 351636516 /nfs/dbraw/zinc/63/65/16/351636516.db2.gz ZENMVNVFAVCGIL-SECBINFHSA-N 2 0 256.350 -0.109 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)NCCCN1CC[NH+](C)CC1 ZINC000070317399 351639201 /nfs/dbraw/zinc/63/92/01/351639201.db2.gz SIMVTQICRSBWGC-GFCCVEGCSA-N 2 0 256.394 -0.133 20 0 CBADRP COCCOCC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000070481630 351639635 /nfs/dbraw/zinc/63/96/35/351639635.db2.gz VMCLWQXLSGUHPM-LBPRGKRZSA-N 2 0 273.377 -0.564 20 0 CBADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)NCC(=O)OC)C1 ZINC000072859491 351651275 /nfs/dbraw/zinc/65/12/75/351651275.db2.gz QESPNZDZSDXBME-GFCCVEGCSA-N 2 0 285.388 -0.061 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000074164431 351658469 /nfs/dbraw/zinc/65/84/69/351658469.db2.gz DOYRYAHMHHWWCN-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000068807448 351622496 /nfs/dbraw/zinc/62/24/96/351622496.db2.gz GQXHIRJALSLZBH-UTUOFQBUSA-N 2 0 256.394 -0.278 20 0 CBADRP CN1CC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=O ZINC000077839322 351684213 /nfs/dbraw/zinc/68/42/13/351684213.db2.gz HPHLJAGOPOJAMB-LBPRGKRZSA-N 2 0 299.419 -0.648 20 0 CBADRP CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000085363292 351719704 /nfs/dbraw/zinc/71/97/04/351719704.db2.gz RBEOTMROKIPFBE-GFCCVEGCSA-N 2 0 284.404 -0.584 20 0 CBADRP CC(C)[C@H](C[NH3+])C(=O)NCCN1CC[NH+](C)CC1 ZINC000087523022 351722504 /nfs/dbraw/zinc/72/25/04/351722504.db2.gz BSXRHAKBXCKZSQ-LBPRGKRZSA-N 2 0 256.394 -0.419 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000082258035 351711357 /nfs/dbraw/zinc/71/13/57/351711357.db2.gz HLNOHLHYGMOBLK-CYBMUJFWSA-N 2 0 268.405 -0.118 20 0 CBADRP CCNC(=O)NC(=O)[C@@H](C)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107855378 351796152 /nfs/dbraw/zinc/79/61/52/351796152.db2.gz NMWKCUYYOXDVJA-BBBLOLIVSA-N 2 0 254.334 -0.628 20 0 CBADRP [NH3+]CCCOC1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000094072598 351763050 /nfs/dbraw/zinc/76/30/50/351763050.db2.gz DKCOBRCHNUDIOG-UHFFFAOYSA-N 2 0 285.388 -0.325 20 0 CBADRP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072752 351763624 /nfs/dbraw/zinc/76/36/24/351763624.db2.gz JZPCEIIVNRRMCU-VIFPVBQESA-N 2 0 272.349 -0.600 20 0 CBADRP C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000094570934 351763991 /nfs/dbraw/zinc/76/39/91/351763991.db2.gz UBARJXKPIZSVEO-NEPJUHHUSA-N 2 0 255.362 -0.049 20 0 CBADRP COC[C@H](C)S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000117918037 351827179 /nfs/dbraw/zinc/82/71/79/351827179.db2.gz PMWKQUMDPPICOV-LBPRGKRZSA-N 2 0 295.449 -0.224 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000114073026 351814887 /nfs/dbraw/zinc/81/48/87/351814887.db2.gz CHJZPWICULHFOH-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000114073106 351815098 /nfs/dbraw/zinc/81/50/98/351815098.db2.gz OFMPIJONGPNXMS-GFCCVEGCSA-N 2 0 254.378 -0.556 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000114076521 351816033 /nfs/dbraw/zinc/81/60/33/351816033.db2.gz ZBHBNIROCTXJMC-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP CC[C@H]1C[N@H+](CCC(=O)NC(=O)NC)CC[C@@H]1[NH3+] ZINC000122808138 351853817 /nfs/dbraw/zinc/85/38/17/351853817.db2.gz VGMDWMVLHGDFNZ-UWVGGRQHSA-N 2 0 256.350 -0.109 20 0 CBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CNC(=O)C[NH3+] ZINC000125244450 351856978 /nfs/dbraw/zinc/85/69/78/351856978.db2.gz AMORBOOZIAGFIA-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP Cn1c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc(=O)n(C)c1=O ZINC000125376307 351857806 /nfs/dbraw/zinc/85/78/06/351857806.db2.gz NTTFLMMHDFFPDQ-UHTWSYAYSA-N 2 0 292.383 -0.357 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000130465836 351879398 /nfs/dbraw/zinc/87/93/98/351879398.db2.gz WMLUVKQTVSFSPB-GFCCVEGCSA-N 2 0 282.388 -0.510 20 0 CBADRP CNC(=O)C[NH+](C)CCCC[N@@H+](C)CC(=O)NC ZINC000127436654 351862891 /nfs/dbraw/zinc/86/28/91/351862891.db2.gz NZRXSUDVHBCBKM-UHFFFAOYSA-N 2 0 258.366 -0.878 20 0 CBADRP C[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000129207263 351868460 /nfs/dbraw/zinc/86/84/60/351868460.db2.gz MDUUZUBGUUMBKC-VXGBXAGGSA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000129207748 351868755 /nfs/dbraw/zinc/86/87/55/351868755.db2.gz MDUUZUBGUUMBKC-NWDGAFQWSA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000129207047 351868974 /nfs/dbraw/zinc/86/89/74/351868974.db2.gz MDUUZUBGUUMBKC-NEPJUHHUSA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+](C)CC(=O)N[C@H]1CCCC[C@@H]1NC(=O)C[NH+](C)C ZINC000146251271 351926965 /nfs/dbraw/zinc/92/69/65/351926965.db2.gz UBIHVANMDFVGON-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP NC(=O)NC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150762667 351931348 /nfs/dbraw/zinc/93/13/48/351931348.db2.gz MDZWOTBYVUPXBL-LLVKDONJSA-N 2 0 268.361 -0.011 20 0 CBADRP CC(C)[NH2+]CCC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000131754383 351888585 /nfs/dbraw/zinc/88/85/85/351888585.db2.gz JXHSPGMQUQVELV-GFCCVEGCSA-N 2 0 284.404 -0.312 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000131756334 351888916 /nfs/dbraw/zinc/88/89/16/351888916.db2.gz HAUJQWIEROBIOU-NEPJUHHUSA-N 2 0 282.388 -0.701 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000132060372 351889425 /nfs/dbraw/zinc/88/94/25/351889425.db2.gz BZVSVOGRNTYCCG-RYUDHWBXSA-N 2 0 282.388 -0.558 20 0 CBADRP CC[C@]1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCC[NH2+]1 ZINC000134367071 351905666 /nfs/dbraw/zinc/90/56/66/351905666.db2.gz DCMKKUKOBKRCIK-IUODEOHRSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2)CC[N@@H+]1C ZINC000157865639 351957036 /nfs/dbraw/zinc/95/70/36/351957036.db2.gz MJNZLYDSRLQMPA-VXGBXAGGSA-N 2 0 254.378 -0.510 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000157780840 351957996 /nfs/dbraw/zinc/95/79/96/351957996.db2.gz XLLBQCFHNUCMPU-STQMWFEESA-N 2 0 266.389 -0.365 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)C1(OC)CC[NH2+]CC1 ZINC000165307044 351985534 /nfs/dbraw/zinc/98/55/34/351985534.db2.gz ZXORAMQNJOMHEA-UHFFFAOYSA-N 2 0 287.404 -0.161 20 0 CBADRP O=C(NCCCC[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000165105141 351985844 /nfs/dbraw/zinc/98/58/44/351985844.db2.gz OYGWHYOSJQZQIP-LBPRGKRZSA-N 2 0 255.362 -0.176 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@@H]2CSCN2)CC1 ZINC000165856032 351986365 /nfs/dbraw/zinc/98/63/65/351986365.db2.gz BLSOZCAXGAQYRK-NSHDSACASA-N 2 0 273.402 -0.124 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000167213686 351988374 /nfs/dbraw/zinc/98/83/74/351988374.db2.gz FPJYWWGGMQLOMN-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1C[NH2+]CCO1 ZINC000178708183 352081948 /nfs/dbraw/zinc/08/19/48/352081948.db2.gz SORJTYVYANQQJT-CYBMUJFWSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2CCC[NH2+]2)CC1=O ZINC000178753992 352083952 /nfs/dbraw/zinc/08/39/52/352083952.db2.gz ZUIMQQYGEPWEBZ-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178844924 352084657 /nfs/dbraw/zinc/08/46/57/352084657.db2.gz JIGSAUDTHVGGLM-ZDUSSCGKSA-N 2 0 285.388 -0.597 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000179196397 352088530 /nfs/dbraw/zinc/08/85/30/352088530.db2.gz YVYCHFNKRHQFFE-GFCCVEGCSA-N 2 0 256.394 -0.180 20 0 CBADRP [NH3+]CCN(Cc1ccccc1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000184216506 352112059 /nfs/dbraw/zinc/11/20/59/352112059.db2.gz KHZSORDWBYQKBN-ZDUSSCGKSA-N 2 0 263.341 -0.038 20 0 CBADRP C[NH+](C)CCNC(=O)CCCC(=O)NCC[NH+](C)C ZINC000192460719 352197107 /nfs/dbraw/zinc/19/71/07/352197107.db2.gz ZIIIMFFJOPGBTL-UHFFFAOYSA-N 2 0 272.393 -0.488 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000191868099 352193566 /nfs/dbraw/zinc/19/35/66/352193566.db2.gz NZEBRWCDZJXLNO-WHOHXGKFSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000188052680 352146686 /nfs/dbraw/zinc/14/66/86/352146686.db2.gz NSVOZJONNRLVKW-JHJVBQTASA-N 2 0 285.388 -0.410 20 0 CBADRP C[N@H+](CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C1CCCC1 ZINC000221672566 352240657 /nfs/dbraw/zinc/24/06/57/352240657.db2.gz KFZMHIFNSOASKG-NEPJUHHUSA-N 2 0 255.362 -0.300 20 0 CBADRP C[N@H+](CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C1CCCC1 ZINC000221672621 352240871 /nfs/dbraw/zinc/24/08/71/352240871.db2.gz KFZMHIFNSOASKG-VXGBXAGGSA-N 2 0 255.362 -0.300 20 0 CBADRP CN1CC[C@H]([N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000227186943 352255663 /nfs/dbraw/zinc/25/56/63/352255663.db2.gz GBKRXNILBLYZMU-MNOVXSKESA-N 2 0 268.361 -0.996 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CC[NH2+]CC1 ZINC000228894830 352265996 /nfs/dbraw/zinc/26/59/96/352265996.db2.gz XHFRNNFPYGUWPD-MISXGVKJSA-N 2 0 267.373 -0.049 20 0 CBADRP CC[N@H+](CCNC(=O)C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000226397966 352252078 /nfs/dbraw/zinc/25/20/78/352252078.db2.gz PTTQQPIGXTWLAT-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP CN1CCO[C@@H](C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000245418312 352319401 /nfs/dbraw/zinc/31/94/01/352319401.db2.gz AUEIUUCXGSWFIE-ZIAGYGMSSA-N 2 0 299.415 -0.114 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000236681917 352291963 /nfs/dbraw/zinc/29/19/63/352291963.db2.gz UDAZOJIVMCXEFZ-LBPRGKRZSA-N 2 0 256.394 -0.229 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000236776924 352293153 /nfs/dbraw/zinc/29/31/53/352293153.db2.gz SDUOHRCHHMUXTG-NSHDSACASA-N 2 0 255.362 -0.049 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000237044410 352297960 /nfs/dbraw/zinc/29/79/60/352297960.db2.gz MIMZSVIJKWFSNB-NWDGAFQWSA-N 2 0 255.362 -0.096 20 0 CBADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000237156945 352300695 /nfs/dbraw/zinc/30/06/95/352300695.db2.gz JYKHSHQWHXPJHT-AWEZNQCLSA-N 2 0 282.432 -0.014 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000237183471 352301284 /nfs/dbraw/zinc/30/12/84/352301284.db2.gz XXQHLJJAVDTPTG-UTUOFQBUSA-N 2 0 255.362 -0.036 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000237196713 352301358 /nfs/dbraw/zinc/30/13/58/352301358.db2.gz VTRVTHTXSZQJPH-ZDUSSCGKSA-N 2 0 287.404 -0.305 20 0 CBADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@@H](C)O1 ZINC000237502292 352305791 /nfs/dbraw/zinc/30/57/91/352305791.db2.gz OSAURQQLFGKNPN-SYQHCUMBSA-N 2 0 299.415 -0.285 20 0 CBADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@@H](C)O1 ZINC000237502778 352306080 /nfs/dbraw/zinc/30/60/80/352306080.db2.gz OSAURQQLFGKNPN-AAVRWANBSA-N 2 0 299.415 -0.285 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000237540345 352307269 /nfs/dbraw/zinc/30/72/69/352307269.db2.gz WGMVCOMLDUOPCI-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000237570964 352307301 /nfs/dbraw/zinc/30/73/01/352307301.db2.gz OSUSZTKHKGJZNH-STQMWFEESA-N 2 0 268.405 -0.262 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000237956520 352312341 /nfs/dbraw/zinc/31/23/41/352312341.db2.gz LIZQSAAEDQMWBF-STQMWFEESA-N 2 0 267.373 -0.081 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)NCCCN1CC[NH2+]CC1 ZINC000238052431 352312806 /nfs/dbraw/zinc/31/28/06/352312806.db2.gz SBOPAEFWXPUPIA-GFCCVEGCSA-N 2 0 286.445 -0.507 20 0 CBADRP [NH3+]C[C@@H](C(=O)NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000238023981 352313044 /nfs/dbraw/zinc/31/30/44/352313044.db2.gz ASTJUEPRWIYPTE-CQSZACIVSA-N 2 0 276.384 -0.250 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000238100039 352313629 /nfs/dbraw/zinc/31/36/29/352313629.db2.gz HAUJNSHTKXXTGL-ZDUSSCGKSA-N 2 0 294.399 -0.638 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1n1ccnc1 ZINC000246809304 352338092 /nfs/dbraw/zinc/33/80/92/352338092.db2.gz AAEXLIZWSTUHPR-VHSXEESVSA-N 2 0 265.317 -0.039 20 0 CBADRP CCN1CCO[C@H](C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)C1 ZINC000247450858 352346941 /nfs/dbraw/zinc/34/69/41/352346941.db2.gz ZJMRXPFHVWYDTP-SRVKXCTJSA-N 2 0 255.362 -0.084 20 0 CBADRP CCN1CCO[C@H](C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)C1 ZINC000247450865 352347349 /nfs/dbraw/zinc/34/73/49/352347349.db2.gz ZJMRXPFHVWYDTP-UTUOFQBUSA-N 2 0 255.362 -0.084 20 0 CBADRP CCNC(=O)NC(=O)CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250275024 352372376 /nfs/dbraw/zinc/37/23/76/352372376.db2.gz IHJXPMVQDQHCLY-UWVGGRQHSA-N 2 0 256.350 -0.109 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000250560137 352373358 /nfs/dbraw/zinc/37/33/58/352373358.db2.gz CFVZETPYOWQZAN-GRYCIOLGSA-N 2 0 255.362 -0.179 20 0 CBADRP CC[C@@H]1C[N@H+](CCC(=O)NC(=O)NC)CC[C@H]1[NH3+] ZINC000251881983 352376551 /nfs/dbraw/zinc/37/65/51/352376551.db2.gz VGMDWMVLHGDFNZ-NXEZZACHSA-N 2 0 256.350 -0.109 20 0 CBADRP C[C@@H]1C[N@H+](CC(=O)N2CCN(C)CC2)CC[C@H]1O ZINC000251954345 352376582 /nfs/dbraw/zinc/37/65/82/352376582.db2.gz YKNAZYMWSBGJRJ-VXGBXAGGSA-N 2 0 255.362 -0.537 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252539410 352378226 /nfs/dbraw/zinc/37/82/26/352378226.db2.gz BNXRJKWPXBCNNV-TUAOUCFPSA-N 2 0 255.362 -0.051 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252644486 352378247 /nfs/dbraw/zinc/37/82/47/352378247.db2.gz ORVOPKSZSDOTDX-SDDRHHMPSA-N 2 0 255.362 -0.179 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CN1CC[NH2+]CC1 ZINC000258677039 352386732 /nfs/dbraw/zinc/38/67/32/352386732.db2.gz KGVBEMBSRPMGNB-CYBMUJFWSA-N 2 0 268.405 -0.308 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC[NH2+]C1 ZINC000261578423 352389277 /nfs/dbraw/zinc/38/92/77/352389277.db2.gz OYQGWQSQMGHTOE-AAEUAGOBSA-N 2 0 255.362 -0.177 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261592105 352389686 /nfs/dbraw/zinc/38/96/86/352389686.db2.gz YFLHFYQTLLHWNG-LBPRGKRZSA-N 2 0 254.334 -0.483 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261668634 352392996 /nfs/dbraw/zinc/39/29/96/352392996.db2.gz ABXPLPQPVHTAHL-UPJWGTAASA-N 2 0 285.388 -0.280 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000133655856 187698932 /nfs/dbraw/zinc/69/89/32/187698932.db2.gz JJBRTDRSZWWBGG-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@H]1CCC[N@H+](CCCCNC(=O)CNC(=O)C[NH3+])C1 ZINC000262180515 352409078 /nfs/dbraw/zinc/40/90/78/352409078.db2.gz RWNITYZDQHMXDF-LBPRGKRZSA-N 2 0 284.404 -0.310 20 0 CBADRP O=C(CC[N@H+]1CCSC[C@H]1CCO)N1CC[NH2+]CC1 ZINC000262205499 352409985 /nfs/dbraw/zinc/40/99/85/352409985.db2.gz SQLUDJCWURKYBE-GFCCVEGCSA-N 2 0 287.429 -0.392 20 0 CBADRP CC1CC[NH+](CCCCNC(=O)CNC(=O)C[NH3+])CC1 ZINC000262200191 352410154 /nfs/dbraw/zinc/41/01/54/352410154.db2.gz VXJOELWJSVVCID-UHFFFAOYSA-N 2 0 284.404 -0.310 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000262313937 352415487 /nfs/dbraw/zinc/41/54/87/352415487.db2.gz BTHMZXBSOPMGRE-GRYCIOLGSA-N 2 0 255.362 -0.443 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000263268624 352441494 /nfs/dbraw/zinc/44/14/94/352441494.db2.gz WDQFGHDHVYPUBS-JSGCOSHPSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)C[C@H]1C ZINC000262338445 352417224 /nfs/dbraw/zinc/41/72/24/352417224.db2.gz HPXVUYOPFMJLFH-FRRDWIJNSA-N 2 0 285.388 -0.722 20 0 CBADRP C[NH+](C)CC[C@H](NC(=O)CNC(=O)C[NH3+])C(C)(C)C ZINC000262367480 352419035 /nfs/dbraw/zinc/41/90/35/352419035.db2.gz IAKASDBDMNGRHS-JTQLQIEISA-N 2 0 272.393 -0.456 20 0 CBADRP CC[C@@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CC[N@@H+]1C[C@H](C)O ZINC000262367726 352419046 /nfs/dbraw/zinc/41/90/46/352419046.db2.gz LGQXAQBOIDTFTO-MELADBBJSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CNC(=O)C[NH3+] ZINC000262397713 352420454 /nfs/dbraw/zinc/42/04/54/352420454.db2.gz NESBWSKSGFQJIV-IJLUTSLNSA-N 2 0 284.404 -0.456 20 0 CBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CNC(=O)C[NH3+])C1 ZINC000262419256 352421141 /nfs/dbraw/zinc/42/11/41/352421141.db2.gz QTEMPTQJJAYNAM-CHWSQXEVSA-N 2 0 298.431 -0.064 20 0 CBADRP CC[NH+](CC)[C@H](CNC(=O)CNC(=O)C[NH3+])CC(C)C ZINC000262434650 352421606 /nfs/dbraw/zinc/42/16/06/352421606.db2.gz SXUZTHPIJCVCKT-LBPRGKRZSA-N 2 0 286.420 -0.066 20 0 CBADRP C[C@H](CNC(=O)C[C@@H]1COCC[NH2+]1)N1CCOCC1 ZINC000262484126 352423212 /nfs/dbraw/zinc/42/32/12/352423212.db2.gz ZXIOCVAJEPAJKW-VXGBXAGGSA-N 2 0 271.361 -0.798 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262490216 352423612 /nfs/dbraw/zinc/42/36/12/352423612.db2.gz ZFSUNTGFOHOBJT-SDDRHHMPSA-N 2 0 255.362 -0.491 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000262497669 352424366 /nfs/dbraw/zinc/42/43/66/352424366.db2.gz IJGZMTITYRTIMA-GHMZBOCLSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000262549149 352425133 /nfs/dbraw/zinc/42/51/33/352425133.db2.gz SRVPZLWWEVTWGY-XQHKEYJVSA-N 2 0 285.388 -0.675 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000262525599 352425704 /nfs/dbraw/zinc/42/57/04/352425704.db2.gz KTCUPYWOPGGNEL-RYUDHWBXSA-N 2 0 256.394 -0.277 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH+](C2CCOCC2)CC1 ZINC000262664052 352430063 /nfs/dbraw/zinc/43/00/63/352430063.db2.gz HXXYQNZTPRRKHG-ZDUSSCGKSA-N 2 0 283.372 -0.702 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000262893903 352435778 /nfs/dbraw/zinc/43/57/78/352435778.db2.gz OVXPVWQAHQIBBX-OLZOCXBDSA-N 2 0 287.404 -0.177 20 0 CBADRP COCCOC1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000261993527 352402963 /nfs/dbraw/zinc/40/29/63/352402963.db2.gz CZJIUDBKTCJFFB-UHFFFAOYSA-N 2 0 299.415 -0.064 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)C[C@H]21 ZINC000262039917 352404285 /nfs/dbraw/zinc/40/42/85/352404285.db2.gz HOKKVNFRGWJAKW-BFHYXJOUSA-N 3 0 280.416 -0.133 20 0 CBADRP CN1CCO[C@H](CNC(=O)N2CCn3cncc3C2)C1 ZINC000291111372 352681692 /nfs/dbraw/zinc/68/16/92/352681692.db2.gz XBOIAVJHWXSNHU-GFCCVEGCSA-N 2 0 279.344 -0.261 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]C1 ZINC000311767611 352770347 /nfs/dbraw/zinc/77/03/47/352770347.db2.gz VQPLVQPZDAGIBF-BXUZGUMPSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[NH2+]Cc1cn(C[C@H](O)C[N@H+](C)CCOC)nn1 ZINC000311692255 352770409 /nfs/dbraw/zinc/77/04/09/352770409.db2.gz KNSKCSPTZSOCDF-GFCCVEGCSA-N 2 0 271.365 -0.673 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000311872620 352771269 /nfs/dbraw/zinc/77/12/69/352771269.db2.gz ZLLKCSYVKGAVCR-UHFFFAOYSA-N 2 0 273.377 -0.597 20 0 CBADRP C[N@H+](C[C@H](O)Cn1cc(C[NH2+]C2CC2)nn1)C1CC1 ZINC000312101711 352772767 /nfs/dbraw/zinc/77/27/67/352772767.db2.gz HXXBJUZJOVJQCF-ZDUSSCGKSA-N 2 0 265.361 -0.015 20 0 CBADRP C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000312027713 352772850 /nfs/dbraw/zinc/77/28/50/352772850.db2.gz WSZBKRHEODPCPK-RYUDHWBXSA-N 2 0 291.417 -0.669 20 0 CBADRP CC[N@H+](CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000311997960 352773202 /nfs/dbraw/zinc/77/32/02/352773202.db2.gz PQEYYYOUSKFHIH-GFCCVEGCSA-N 2 0 291.417 -0.622 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000315025520 352780152 /nfs/dbraw/zinc/78/01/52/352780152.db2.gz VTCKIGKXYHQLJU-OCCSQVGLSA-N 2 0 296.415 -0.362 20 0 CBADRP CNC(=O)C[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000323046678 352782318 /nfs/dbraw/zinc/78/23/18/352782318.db2.gz PPOQZTASRXRWPB-NEPJUHHUSA-N 2 0 257.378 -0.053 20 0 CBADRP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1CCCC[C@@H]1O ZINC000328532911 352783920 /nfs/dbraw/zinc/78/39/20/352783920.db2.gz YPNMXLDKPBQFCD-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H](C)C[NH2+]1 ZINC000331377066 352910448 /nfs/dbraw/zinc/91/04/48/352910448.db2.gz HHKONHFRLXFXMR-GRYCIOLGSA-N 2 0 294.399 -0.452 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000331462661 352916921 /nfs/dbraw/zinc/91/69/21/352916921.db2.gz NDLCACAFTVBJCF-GFCCVEGCSA-N 2 0 282.388 -0.511 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000331492915 352919035 /nfs/dbraw/zinc/91/90/35/352919035.db2.gz RIVOYCOLZHSGDG-OLZOCXBDSA-N 2 0 296.415 -0.264 20 0 CBADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCC(=O)NC(N)=O)C2)C1 ZINC000331523548 352921429 /nfs/dbraw/zinc/92/14/29/352921429.db2.gz CPZHQAHVYYNYFG-ZDUSSCGKSA-N 2 0 268.361 -0.011 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCC2)C[C@@H]1[NH+](C)C ZINC000331520271 352921484 /nfs/dbraw/zinc/92/14/84/352921484.db2.gz CMZGZYFGEWKSFR-MNOVXSKESA-N 2 0 282.388 -0.608 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000331582734 352925858 /nfs/dbraw/zinc/92/58/58/352925858.db2.gz IFJGCTSEFJBXDZ-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000331725601 352927628 /nfs/dbraw/zinc/92/76/28/352927628.db2.gz XBHPEQHQRJACIV-UPJWGTAASA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332620041 352970924 /nfs/dbraw/zinc/97/09/24/352970924.db2.gz TYUYAQRXEJTZLR-JHJVBQTASA-N 2 0 294.399 -0.593 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000332638950 352971737 /nfs/dbraw/zinc/97/17/37/352971737.db2.gz KYLZXTYENVFJSF-STQMWFEESA-N 2 0 294.399 -0.497 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332664700 352973813 /nfs/dbraw/zinc/97/38/13/352973813.db2.gz XUWSSCXLJISSHB-VXGBXAGGSA-N 2 0 280.372 -0.887 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000332192112 352939284 /nfs/dbraw/zinc/93/92/84/352939284.db2.gz BAZGVWYZZPZZPD-NEPJUHHUSA-N 2 0 280.372 -0.887 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000332247878 352940953 /nfs/dbraw/zinc/94/09/53/352940953.db2.gz AZYYSTDPVNIRRO-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000332305960 352943038 /nfs/dbraw/zinc/94/30/38/352943038.db2.gz IAFNSXWOTRYVNQ-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000332549182 352965053 /nfs/dbraw/zinc/96/50/53/352965053.db2.gz IKBBWAFGCNSWNR-UPJWGTAASA-N 2 0 294.399 -0.321 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332570440 352967196 /nfs/dbraw/zinc/96/71/96/352967196.db2.gz CMFFHOOEMIJCTE-AVGNSLFASA-N 2 0 294.399 -0.450 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000333940034 353014694 /nfs/dbraw/zinc/01/46/94/353014694.db2.gz NSXATRBPVQTAHZ-KBPBESRZSA-N 2 0 295.431 -0.182 20 0 CBADRP C[NH+](C)C[C@H]1CN(C(=O)NC[C@@H]2CCC[NH2+]2)CCO1 ZINC000333660896 353007170 /nfs/dbraw/zinc/00/71/70/353007170.db2.gz LNZBEYVXGJAOPL-RYUDHWBXSA-N 2 0 270.377 -0.290 20 0 CBADRP CC[C@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@@H+]1CCOC ZINC000333763145 353010226 /nfs/dbraw/zinc/01/02/26/353010226.db2.gz AUFNRGHPYXXSLT-IGQOVBAYSA-N 2 0 296.415 -0.044 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000333782552 353011002 /nfs/dbraw/zinc/01/10/02/353011002.db2.gz DXUWFWVIOGTFGS-CQSZACIVSA-N 2 0 295.431 -0.229 20 0 CBADRP CN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1C[NH2+]C[C@@H]1O ZINC000333904435 353013739 /nfs/dbraw/zinc/01/37/39/353013739.db2.gz CGWSKOVXLTUKDX-NDBYEHHHSA-N 2 0 282.388 -0.413 20 0 CBADRP C[N@H+](C[C@@H](O)CN1CCC(OCCO)CC1)C1CC1 ZINC000336811561 353057968 /nfs/dbraw/zinc/05/79/68/353057968.db2.gz NNBBYNQEEJVWBH-CYBMUJFWSA-N 2 0 272.389 -0.085 20 0 CBADRP C[N@H+](C[C@H](O)CN1CCOCC1)C[C@H]1CCC[NH+](C)C1 ZINC000336823714 353059985 /nfs/dbraw/zinc/05/99/85/353059985.db2.gz QXXVECNOCQFJCV-GJZGRUSLSA-N 2 0 285.432 -0.047 20 0 CBADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H](O)CN3CCOCC3)C2)C1 ZINC000336833627 353061833 /nfs/dbraw/zinc/06/18/33/353061833.db2.gz OWNOXFDPHWVDJD-HUUCEWRRSA-N 2 0 283.416 -0.293 20 0 CBADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC000336833629 353062075 /nfs/dbraw/zinc/06/20/75/353062075.db2.gz OWNOXFDPHWVDJD-LSDHHAIUSA-N 2 0 283.416 -0.293 20 0 CBADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H](O)CN3CCOCC3)C2)C1 ZINC000336833624 353062368 /nfs/dbraw/zinc/06/23/68/353062368.db2.gz OWNOXFDPHWVDJD-CABCVRRESA-N 2 0 283.416 -0.293 20 0 CBADRP C[C@H]1[C@@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000339631552 353135381 /nfs/dbraw/zinc/13/53/81/353135381.db2.gz LLWDSJHPJRHPJW-AAEUAGOBSA-N 2 0 296.415 -0.204 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC1=[NH+]CCCN1 ZINC000340037252 353144612 /nfs/dbraw/zinc/14/46/12/353144612.db2.gz JAKACMGYYFFYGJ-LBPRGKRZSA-N 2 0 281.404 -0.132 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000340117755 353151664 /nfs/dbraw/zinc/15/16/64/353151664.db2.gz DEDJDIFJMXZOHN-XQQFMLRXSA-N 2 0 296.415 -0.040 20 0 CBADRP C[C@H]([NH3+])CC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000340176967 353154696 /nfs/dbraw/zinc/15/46/96/353154696.db2.gz KDKNDPAKMNIBRX-VHSXEESVSA-N 2 0 256.350 -0.820 20 0 CBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](C)[NH3+])CC1 ZINC000340184143 353154915 /nfs/dbraw/zinc/15/49/15/353154915.db2.gz PYUZXEACNXOTIP-RYUDHWBXSA-N 2 0 256.394 -0.277 20 0 CBADRP C[C@@H]([NH3+])CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000340185799 353156018 /nfs/dbraw/zinc/15/60/18/353156018.db2.gz PFWVVTDJLOILBX-GHMZBOCLSA-N 2 0 270.377 -0.573 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340483002 353172971 /nfs/dbraw/zinc/17/29/71/353172971.db2.gz ZWNGCGFNMBGNKK-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP O[C@@H]1COC[C@H]1[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000340292768 353161989 /nfs/dbraw/zinc/16/19/89/353161989.db2.gz ZBXIYEQOCBUVCT-ZIAGYGMSSA-N 2 0 270.373 -0.210 20 0 CBADRP C[N@H+](C[C@H](O)CN1CCOCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000340700262 353182587 /nfs/dbraw/zinc/18/25/87/353182587.db2.gz LJBBZETYGGJNFC-KBPBESRZSA-N 2 0 271.405 -0.389 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000341060459 353199374 /nfs/dbraw/zinc/19/93/74/353199374.db2.gz NWKGHCLNRSKCQO-GFCCVEGCSA-N 2 0 284.404 -0.217 20 0 CBADRP CCS(=O)(=O)NCCN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342105119 353218981 /nfs/dbraw/zinc/21/89/81/353218981.db2.gz NUISSJIJVXKRPW-TUAOUCFPSA-N 2 0 275.418 -0.015 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000342766803 353231740 /nfs/dbraw/zinc/23/17/40/353231740.db2.gz XNYVNEZAHAXVKZ-GHMZBOCLSA-N 2 0 271.361 -0.181 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]([NH3+])CCC(=O)OC)C1CC1 ZINC000342767009 353231762 /nfs/dbraw/zinc/23/17/62/353231762.db2.gz ZQDVKAPTYHUQCO-NSHDSACASA-N 2 0 271.361 -0.133 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000342646354 353225367 /nfs/dbraw/zinc/22/53/67/353225367.db2.gz GMZXPTJCRHFXRY-JTQLQIEISA-N 2 0 259.350 -0.275 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC[NH+](C)C ZINC000342665614 353226388 /nfs/dbraw/zinc/22/63/88/353226388.db2.gz PGYKVUFBSOEXBA-LBPRGKRZSA-N 2 0 271.409 -0.517 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC[NH+](C)C ZINC000342665306 353226966 /nfs/dbraw/zinc/22/69/66/353226966.db2.gz LSAVOVJGGDLSPC-LLVKDONJSA-N 2 0 257.382 -0.907 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CCC(=O)OC ZINC000342695882 353227843 /nfs/dbraw/zinc/22/78/43/353227843.db2.gz GLOPRDBWGOOILP-GHMZBOCLSA-N 2 0 271.361 -0.133 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)OC)C1 ZINC000342695931 353228202 /nfs/dbraw/zinc/22/82/02/353228202.db2.gz GXMHMZMXYLDZHK-QWRGUYRKSA-N 2 0 287.360 -0.896 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000343130513 353255134 /nfs/dbraw/zinc/25/51/34/353255134.db2.gz PLLPQOBWAPIXFO-KGLIPLIRSA-N 2 0 282.432 -0.062 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343179485 353257959 /nfs/dbraw/zinc/25/79/59/353257959.db2.gz LAQNBLKOJONMQF-UONOGXRCSA-N 2 0 280.416 -0.023 20 0 CBADRP C[C@H]1CC2(C[N@@H+]1CCNS(C)(=O)=O)CC[NH2+]CC2 ZINC000331698118 290363765 /nfs/dbraw/zinc/36/37/65/290363765.db2.gz VEZMZOHHEDBWAG-NSHDSACASA-N 2 0 275.418 0.000 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000343226935 353260837 /nfs/dbraw/zinc/26/08/37/353260837.db2.gz QDUYLTATXLPZFM-OLZOCXBDSA-N 2 0 266.389 -0.556 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000343226937 353260923 /nfs/dbraw/zinc/26/09/23/353260923.db2.gz QDUYLTATXLPZFM-STQMWFEESA-N 2 0 266.389 -0.556 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000343226934 353261319 /nfs/dbraw/zinc/26/13/19/353261319.db2.gz QDUYLTATXLPZFM-CHWSQXEVSA-N 2 0 266.389 -0.556 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[NH+](C)C1CC1 ZINC000343245342 353261496 /nfs/dbraw/zinc/26/14/96/353261496.db2.gz CCEPONGOZFKMCZ-OCCSQVGLSA-N 2 0 280.416 -0.025 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)[NH+](C)C1CC1 ZINC000343245339 353261702 /nfs/dbraw/zinc/26/17/02/353261702.db2.gz CCEPONGOZFKMCZ-GXTWGEPZSA-N 2 0 280.416 -0.025 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188183528 137655833 /nfs/dbraw/zinc/65/58/33/137655833.db2.gz MNBHTEWEWPTOSW-SECBINFHSA-N 2 0 263.345 -0.215 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)CC[N@@H+]1C ZINC000343298060 353264748 /nfs/dbraw/zinc/26/47/48/353264748.db2.gz NHJPMSDFJBRVFE-NEPJUHHUSA-N 2 0 296.415 -0.204 20 0 CBADRP CCN1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000343300539 353265833 /nfs/dbraw/zinc/26/58/33/353265833.db2.gz ORBTYXMKWHCFKW-UHFFFAOYSA-N 2 0 282.388 -0.639 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343312859 353266850 /nfs/dbraw/zinc/26/68/50/353266850.db2.gz QWAXRYVKHWKABN-UHFFFAOYSA-N 2 0 296.415 -0.249 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343326668 353267955 /nfs/dbraw/zinc/26/79/55/353267955.db2.gz YJJBNFDJYTYFSO-CHWSQXEVSA-N 2 0 266.389 -0.413 20 0 CBADRP COCC[C@]1(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)CC[NH2+]C1 ZINC000343597256 353281151 /nfs/dbraw/zinc/28/11/51/353281151.db2.gz MWPFKOLOECFPAW-NQBHXWOUSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[N@H+](C)CCNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343766197 353290160 /nfs/dbraw/zinc/29/01/60/353290160.db2.gz DFJMLBVEFPDZOV-YOGCLGLASA-N 2 0 267.373 -0.131 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000343863180 353295354 /nfs/dbraw/zinc/29/53/54/353295354.db2.gz OTINSDMVTGDCSK-UWVGGRQHSA-N 2 0 257.334 -0.571 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000156752406 188280066 /nfs/dbraw/zinc/28/00/66/188280066.db2.gz NOZYZSMMIIIDEG-RYUDHWBXSA-N 2 0 256.394 -0.277 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000346536692 353382273 /nfs/dbraw/zinc/38/22/73/353382273.db2.gz TXOOOBMLRVRDBN-AAEUAGOBSA-N 2 0 296.415 -0.395 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)CC[N@@H+]1C ZINC000347993779 353404105 /nfs/dbraw/zinc/40/41/05/353404105.db2.gz BTDPZLCLHXQGMZ-RYUDHWBXSA-N 2 0 284.404 -0.395 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cn1cnnn1 ZINC000348012690 353405886 /nfs/dbraw/zinc/40/58/86/353405886.db2.gz SJVKMLRBZOOEFM-UHFFFAOYSA-N 2 0 297.407 -0.595 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000348991363 353442906 /nfs/dbraw/zinc/44/29/06/353442906.db2.gz GMXYIDWAVGPONI-LLVKDONJSA-N 2 0 271.361 -0.798 20 0 CBADRP O=C(CCOC1C[NH2+]C1)NCCCC[NH+]1CCOCC1 ZINC000348993574 353444264 /nfs/dbraw/zinc/44/42/64/353444264.db2.gz RKODWQRGJCRQTP-UHFFFAOYSA-N 2 0 285.388 -0.407 20 0 CBADRP NC(=[NH2+])NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000352577984 353493653 /nfs/dbraw/zinc/49/36/53/353493653.db2.gz TUQGDNKKVUICFX-UHFFFAOYSA-N 2 0 277.376 -0.138 20 0 CBADRP C[C@@H]1C[C@@H](N(C)C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000351560097 353476071 /nfs/dbraw/zinc/47/60/71/353476071.db2.gz WBWGTAAUUJRXPC-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1C[C@H](N(C)C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000351560099 353476082 /nfs/dbraw/zinc/47/60/82/353476082.db2.gz WBWGTAAUUJRXPC-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000353210727 353527551 /nfs/dbraw/zinc/52/75/51/353527551.db2.gz ZYKQBLIWHQLUHD-GXTWGEPZSA-N 2 0 296.415 -0.489 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000353441990 353532101 /nfs/dbraw/zinc/53/21/01/353532101.db2.gz GBTNOXLAWNUNQE-YPMHNXCESA-N 2 0 287.404 -0.489 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C[NH3+])OC ZINC000353436310 353532235 /nfs/dbraw/zinc/53/22/35/353532235.db2.gz XVIFLNBIVPDLSU-GHMZBOCLSA-N 2 0 259.350 -0.813 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000353472327 353532540 /nfs/dbraw/zinc/53/25/40/353532540.db2.gz STDNZHABKPRSTG-OLZOCXBDSA-N 2 0 285.388 -0.469 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000354095908 353543530 /nfs/dbraw/zinc/54/35/30/353543530.db2.gz BPZOQVJYZWGNEL-UHFFFAOYSA-N 2 0 296.415 -0.225 20 0 CBADRP CCCN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000354680950 353577667 /nfs/dbraw/zinc/57/76/67/353577667.db2.gz ZGOSNJNONVOSEG-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000354701485 353579256 /nfs/dbraw/zinc/57/92/56/353579256.db2.gz XUJNGVSBTDKHCW-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+]1CCC(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000354721126 353580223 /nfs/dbraw/zinc/58/02/23/353580223.db2.gz VWYPUZZDASRAQS-GFCCVEGCSA-N 2 0 282.388 -0.545 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000354713196 353580321 /nfs/dbraw/zinc/58/03/21/353580321.db2.gz QJJQMZWVURYJJL-VXGBXAGGSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000355142126 353587797 /nfs/dbraw/zinc/58/77/97/353587797.db2.gz WCDDUTZCIQSKGL-NWDGAFQWSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](CNC(=O)C[C@H]1COCC[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000357249348 353602581 /nfs/dbraw/zinc/60/25/81/353602581.db2.gz SEIMIBBCWPACAT-KGLIPLIRSA-N 2 0 298.431 -0.635 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358504446 353648391 /nfs/dbraw/zinc/64/83/91/353648391.db2.gz ROESMUNFMNSARP-JQWIXIFHSA-N 2 0 258.366 -0.698 20 0 CBADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000357926952 353614939 /nfs/dbraw/zinc/61/49/39/353614939.db2.gz LAGUPQXSNQJIGA-XQQFMLRXSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CCSC1 ZINC000357927636 353614959 /nfs/dbraw/zinc/61/49/59/353614959.db2.gz LPBAGFVWOHHGKF-SCVCMEIPSA-N 2 0 273.402 -0.737 20 0 CBADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000357932960 353615568 /nfs/dbraw/zinc/61/55/68/353615568.db2.gz XYTVHQZBFOMYNE-MJBXVCDLSA-N 2 0 281.400 -0.101 20 0 CBADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC000357932950 353615595 /nfs/dbraw/zinc/61/55/95/353615595.db2.gz XYTVHQZBFOMYNE-IHRRRGAJSA-N 2 0 281.400 -0.101 20 0 CBADRP C[N@H+](CCCO)C1CCN([C@H]2COC[C@@H]2O)CC1 ZINC000361313721 353660860 /nfs/dbraw/zinc/66/08/60/353660860.db2.gz NYSFGLOLUDENSL-STQMWFEESA-N 2 0 258.362 -0.475 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CC[NH2+]C3)CC2)C1 ZINC000361710736 353663696 /nfs/dbraw/zinc/66/36/96/353663696.db2.gz LYIKCFLSELIPDW-KBPBESRZSA-N 2 0 280.416 -0.166 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000362448772 353666690 /nfs/dbraw/zinc/66/66/90/353666690.db2.gz SHHKOBDHBUFJHK-KBPBESRZSA-N 2 0 282.432 -0.062 20 0 CBADRP O=C(CN1CCC[C@H](N2CCNCC2=O)C1)NCC1CC1 ZINC000362827049 353668509 /nfs/dbraw/zinc/66/85/09/353668509.db2.gz RGWSVGZFDMJTBS-ZDUSSCGKSA-N 2 0 294.399 -0.591 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cccn1C1CC[NH2+]CC1 ZINC000367041196 353679744 /nfs/dbraw/zinc/67/97/44/353679744.db2.gz SHQXYPHMSXAVJZ-SMDDNHRTSA-N 2 0 292.383 -0.277 20 0 CBADRP O=C(NC[C@H]1C[NH2+]C[C@H]1O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000367475778 353682209 /nfs/dbraw/zinc/68/22/09/353682209.db2.gz FNFVAUIOJIHJSN-PRULPYPASA-N 2 0 253.346 -0.927 20 0 CBADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C2C[NH2+]C2)CC1 ZINC000262256328 137712195 /nfs/dbraw/zinc/71/21/95/137712195.db2.gz QKGSNLCBZPEENS-LLVKDONJSA-N 2 0 269.389 -0.243 20 0 CBADRP O[C@H]1C[NH+](CCOCC[N@H+]2C[C@H](O)C3(CC3)C2)CC12CC2 ZINC000368793612 353686895 /nfs/dbraw/zinc/68/68/95/353686895.db2.gz YHRWRJYJANWEPP-KBPBESRZSA-N 2 0 296.411 -0.084 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000370774479 353691576 /nfs/dbraw/zinc/69/15/76/353691576.db2.gz ROICQMRQQYKBCG-ADEWGFFLSA-N 2 0 253.346 -0.426 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1CCc2nccn2C1 ZINC000373570711 353733361 /nfs/dbraw/zinc/73/33/61/353733361.db2.gz XIMYVYKIVGALCA-FZMZJTMJSA-N 2 0 280.372 -0.126 20 0 CBADRP [NH3+]CCCC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372098944 353710275 /nfs/dbraw/zinc/71/02/75/353710275.db2.gz PEMRLXCXWRZGNF-NWDGAFQWSA-N 2 0 255.362 -0.217 20 0 CBADRP [NH3+]CCCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372098943 353710512 /nfs/dbraw/zinc/71/05/12/353710512.db2.gz PEMRLXCXWRZGNF-NEPJUHHUSA-N 2 0 255.362 -0.217 20 0 CBADRP C[NH+](C)CCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000372366731 353715986 /nfs/dbraw/zinc/71/59/86/353715986.db2.gz CBTSXUVMBRSOAC-VXGBXAGGSA-N 2 0 270.377 -0.290 20 0 CBADRP CCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000372399672 353716726 /nfs/dbraw/zinc/71/67/26/353716726.db2.gz RLOZMQLLTKUHGZ-UONOGXRCSA-N 2 0 298.431 -0.364 20 0 CBADRP C[C@@](C[NH3+])(NC(=O)c1[nH]nc2c1C[NH2+]CC2)C1CC1 ZINC000372571425 353719219 /nfs/dbraw/zinc/71/92/19/353719219.db2.gz MSGHJUCPNFOPMB-ZDUSSCGKSA-N 2 0 263.345 -0.087 20 0 CBADRP C[C@H]1[NH2+]CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)[C@@H]1C ZINC000373071434 353725812 /nfs/dbraw/zinc/72/58/12/353725812.db2.gz SGKMWRZSSQYVSL-RKDXNWHRSA-N 2 0 263.345 -0.122 20 0 CBADRP OC(CN1C[C@H](O)C2(CC2)C1)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000373180305 353727625 /nfs/dbraw/zinc/72/76/25/353727625.db2.gz OCIHQMQEBSQRSV-STQMWFEESA-N 2 0 282.384 -0.739 20 0 CBADRP OC(CN1C[C@@H](O)C2(CC2)C1)C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000373180302 353727939 /nfs/dbraw/zinc/72/79/39/353727939.db2.gz OCIHQMQEBSQRSV-CHWSQXEVSA-N 2 0 282.384 -0.739 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000375071349 353753587 /nfs/dbraw/zinc/75/35/87/353753587.db2.gz NREOWDKWULPMAY-GARJFASQSA-N 2 0 259.325 -0.477 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000375385239 353759712 /nfs/dbraw/zinc/75/97/12/353759712.db2.gz XFKCCWFKWBZXBT-RUZUBIRVSA-N 2 0 291.399 -0.020 20 0 CBADRP CC1(CNC(=O)C[C@H]2COCC[NH2+]2)CC[NH2+]CC1 ZINC000375835369 353768121 /nfs/dbraw/zinc/76/81/21/353768121.db2.gz UCPUOUTYQHUYNL-NSHDSACASA-N 2 0 255.362 -0.129 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000376254761 353773364 /nfs/dbraw/zinc/77/33/64/353773364.db2.gz SFXBORAVTZPFSJ-HBNTYKKESA-N 2 0 259.325 -0.477 20 0 CBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000377198686 353777807 /nfs/dbraw/zinc/77/78/07/353777807.db2.gz QSTOEYNNHUCFLB-OLZOCXBDSA-N 3 0 280.416 -0.119 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3C[NH2+]CCO3)CC2)C1 ZINC000378201453 353780006 /nfs/dbraw/zinc/78/00/06/353780006.db2.gz DAMASJPHFPUNOE-KGLIPLIRSA-N 2 0 296.415 -0.787 20 0 CBADRP CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000400151965 353799783 /nfs/dbraw/zinc/79/97/83/353799783.db2.gz BWMBSXILQDQXSM-GARJFASQSA-N 2 0 261.391 -0.263 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394375496 353794527 /nfs/dbraw/zinc/79/45/27/353794527.db2.gz OAWBAWRAKPKJHH-NWDGAFQWSA-N 2 0 286.445 -0.427 20 0 CBADRP C[C@H](C(=O)N1CCN(CCO)[C@H](C)C1)N1CCN(C)CC1 ZINC000408376615 353907520 /nfs/dbraw/zinc/90/75/20/353907520.db2.gz NULAWWXZUIEVKU-ZIAGYGMSSA-N 2 0 298.431 -0.853 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000410993824 353939362 /nfs/dbraw/zinc/93/93/62/353939362.db2.gz ZEHJRRRHHTUVLX-OLZOCXBDSA-N 2 0 296.415 -0.441 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCC[NH3+])C1 ZINC000416869325 353973795 /nfs/dbraw/zinc/97/37/95/353973795.db2.gz NBIJSOQTGOQAKQ-GFCCVEGCSA-N 2 0 272.393 -0.009 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N(CC[NH3+])CCO ZINC000417446626 353977235 /nfs/dbraw/zinc/97/72/35/353977235.db2.gz MMJRTZPHYYIHDF-LLVKDONJSA-N 2 0 260.382 -0.321 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000417443821 353977405 /nfs/dbraw/zinc/97/74/05/353977405.db2.gz AZZZUQNESUFRJH-NWDGAFQWSA-N 2 0 272.393 -0.057 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000417442541 353977713 /nfs/dbraw/zinc/97/77/13/353977713.db2.gz VAMXFOBKNDYTIY-VXGBXAGGSA-N 2 0 272.393 -0.044 20 0 CBADRP C[N@H+](CCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000417622919 353980964 /nfs/dbraw/zinc/98/09/64/353980964.db2.gz IANDXEXVDVQSFF-PHIMTYICSA-N 2 0 252.362 -0.059 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000417701555 353981284 /nfs/dbraw/zinc/98/12/84/353981284.db2.gz IFIQILXKQCYRDX-SGMGOOAPSA-N 2 0 296.415 -0.117 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418402942 353997290 /nfs/dbraw/zinc/99/72/90/353997290.db2.gz HQRUFIDZGVLWSO-XQQFMLRXSA-N 2 0 283.420 -0.293 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000417812531 353982959 /nfs/dbraw/zinc/98/29/59/353982959.db2.gz OLXDRPCIOUIQES-NEPJUHHUSA-N 2 0 254.378 -0.604 20 0 CBADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000417817641 353983220 /nfs/dbraw/zinc/98/32/20/353983220.db2.gz VFATUMFIHASLET-QWHCGFSZSA-N 2 0 268.405 -0.214 20 0 CBADRP C[NH2+]CCNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000417812386 353983542 /nfs/dbraw/zinc/98/35/42/353983542.db2.gz FEXVOOIYKAQTTL-NSHDSACASA-N 2 0 260.407 -0.058 20 0 CBADRP CC1(C)CN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC[NH2+]1 ZINC000417847737 353984999 /nfs/dbraw/zinc/98/49/99/353984999.db2.gz ZOZMDGAGLNAIEJ-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP CC[NH+](CC)CCOCCNC(=O)N[C@@H](C)C[NH3+] ZINC000418019124 353986799 /nfs/dbraw/zinc/98/67/99/353986799.db2.gz KEVKWCGFRLLGPU-NSHDSACASA-N 2 0 260.382 -0.009 20 0 CBADRP CC[NH2+]CCNC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000418207774 353988590 /nfs/dbraw/zinc/98/85/90/353988590.db2.gz IHWKIDFSHNCDJY-LBPRGKRZSA-N 2 0 270.377 -0.242 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[NH3+])CC1 ZINC000418293884 353991073 /nfs/dbraw/zinc/99/10/73/353991073.db2.gz GFCQAQMLADKTJK-UHFFFAOYSA-N 2 0 285.392 -0.859 20 0 CBADRP C[C@H]1CCN(C(=O)NCCN2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000418292902 353991431 /nfs/dbraw/zinc/99/14/31/353991431.db2.gz DVJLWXKPXVBPMJ-STQMWFEESA-N 2 0 283.420 -0.482 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418442478 353997671 /nfs/dbraw/zinc/99/76/71/353997671.db2.gz NAFBPVGQAAFTAD-GHMZBOCLSA-N 2 0 258.366 -0.353 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCC[NH3+])CC1 ZINC000418301746 353992244 /nfs/dbraw/zinc/99/22/44/353992244.db2.gz ZFQFBVBTJCXFGO-CYBMUJFWSA-N 2 0 283.420 -0.243 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000418303573 353992944 /nfs/dbraw/zinc/99/29/44/353992944.db2.gz VYHWIQDIWIEQAM-ZDUSSCGKSA-N 2 0 283.420 -0.373 20 0 CBADRP CC[NH2+]CCNC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418319487 353993108 /nfs/dbraw/zinc/99/31/08/353993108.db2.gz RHDDUVSXZRYYFN-GFCCVEGCSA-N 2 0 258.366 -0.336 20 0 CBADRP C[NH2+]CCNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000418320911 353994059 /nfs/dbraw/zinc/99/40/59/353994059.db2.gz WZYFLTRUGQTPCW-GFCCVEGCSA-N 2 0 272.393 -0.402 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000418365189 353994600 /nfs/dbraw/zinc/99/46/00/353994600.db2.gz DVHSLPBZLRCMCL-CHWSQXEVSA-N 2 0 286.420 -0.012 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000418364318 353994727 /nfs/dbraw/zinc/99/47/27/353994727.db2.gz NVRQIQHSSIZZFT-GFCCVEGCSA-N 2 0 286.420 -0.060 20 0 CBADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418375720 353995035 /nfs/dbraw/zinc/99/50/35/353995035.db2.gz HXSQSXIBIYTZHY-NWDGAFQWSA-N 2 0 284.404 -0.165 20 0 CBADRP COC[C@]1(CNC(=O)N[C@@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000418385524 353995697 /nfs/dbraw/zinc/99/56/97/353995697.db2.gz QCOSZZYNYRPLHL-DGCLKSJQSA-N 2 0 270.377 -0.194 20 0 CBADRP O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@@H]1CCC[NH2+]C1 ZINC000418379891 353995779 /nfs/dbraw/zinc/99/57/79/353995779.db2.gz JJTNCANVQJSSME-OLZOCXBDSA-N 2 0 284.404 -0.116 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000418379735 353996230 /nfs/dbraw/zinc/99/62/30/353996230.db2.gz WGNQEGUSKLZOGQ-STQMWFEESA-N 2 0 284.404 -0.116 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000419233484 354040517 /nfs/dbraw/zinc/04/05/17/354040517.db2.gz HDDYKPSAZLSIDK-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000418495610 353999196 /nfs/dbraw/zinc/99/91/96/353999196.db2.gz UOTRKTBFLSEJGV-UTUOFQBUSA-N 2 0 270.377 -0.256 20 0 CBADRP CCC[NH2+]CCNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000418488423 353999402 /nfs/dbraw/zinc/99/94/02/353999402.db2.gz LHLZKGIFTOMROL-ZDUSSCGKSA-N 2 0 283.420 -0.325 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)NC[C@@H](C)C[NH3+] ZINC000418492075 353999414 /nfs/dbraw/zinc/99/94/14/353999414.db2.gz PCJLBYVXYSOZEY-NSHDSACASA-N 2 0 260.382 -0.199 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000418509266 353999912 /nfs/dbraw/zinc/99/99/12/353999912.db2.gz NUFLSMPYFZKOFK-VXGBXAGGSA-N 2 0 272.393 -0.009 20 0 CBADRP C[C@]1(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC[NH2+]C1 ZINC000418543633 354002610 /nfs/dbraw/zinc/00/26/10/354002610.db2.gz PDFYRHGDKFYYQW-WGBDABJCSA-N 2 0 252.362 -0.107 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000418620213 354003905 /nfs/dbraw/zinc/00/39/05/354003905.db2.gz PYFHKLIQBGKMJV-QWRGUYRKSA-N 2 0 272.393 -0.180 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418643939 354004410 /nfs/dbraw/zinc/00/44/10/354004410.db2.gz UWOAUSOTRWOEDU-PWSUYJOCSA-N 2 0 258.366 -0.209 20 0 CBADRP O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418665801 354005059 /nfs/dbraw/zinc/00/50/59/354005059.db2.gz CUSCQYIRLLLGIW-WUHRBBMRSA-N 2 0 282.388 -0.650 20 0 CBADRP CC1CC[NH+](C[C@H](O)CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000418677698 354005091 /nfs/dbraw/zinc/00/50/91/354005091.db2.gz VBNULSOAGVSMKG-MQYQWHSLSA-N 2 0 296.415 -0.404 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418667844 354005311 /nfs/dbraw/zinc/00/53/11/354005311.db2.gz HALPZXJWPUQWSB-GDNZZTSVSA-N 2 0 252.362 -0.060 20 0 CBADRP C[C@@H](NC(=O)NCCNc1cc[nH+]cc1)[C@H](C)[NH3+] ZINC000418704306 354006091 /nfs/dbraw/zinc/00/60/91/354006091.db2.gz RIFRPFHUSHXTCO-VHSXEESVSA-N 2 0 251.334 -0.050 20 0 CBADRP O=C(NCCNc1cc[nH+]cc1)NC[C@@H]1C[NH2+]CCO1 ZINC000418755177 354007340 /nfs/dbraw/zinc/00/73/40/354007340.db2.gz BSPGWPGLPSNPKO-LBPRGKRZSA-N 2 0 279.344 -0.797 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCO2)[C@H](C)C[NH2+]1 ZINC000418767190 354008011 /nfs/dbraw/zinc/00/80/11/354008011.db2.gz NTDJORGUAPYEFT-GMTAPVOTSA-N 2 0 256.350 -0.633 20 0 CBADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418772201 354008620 /nfs/dbraw/zinc/00/86/20/354008620.db2.gz SKRBJAXQBULPHD-OLZOCXBDSA-N 2 0 284.404 -0.044 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000418771377 354008848 /nfs/dbraw/zinc/00/88/48/354008848.db2.gz VPUBNUMHAXJVPZ-ZDUSSCGKSA-N 2 0 283.420 -0.373 20 0 CBADRP CC(C)(CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[NH+]1CCCCC1 ZINC000418827202 354010578 /nfs/dbraw/zinc/01/05/78/354010578.db2.gz DHEMLEJZQZVKFL-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418825505 354010865 /nfs/dbraw/zinc/01/08/65/354010865.db2.gz BPVHPCPGMILFBA-NSHDSACASA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418846611 354012433 /nfs/dbraw/zinc/01/24/33/354012433.db2.gz YPWSOSWBTLQNEB-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP [NH3+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418864417 354013399 /nfs/dbraw/zinc/01/33/99/354013399.db2.gz QMCGMKOCJOBTMJ-ZDUSSCGKSA-N 2 0 290.367 -0.548 20 0 CBADRP CC[NH+]1CCC(CCNC(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000418870945 354013775 /nfs/dbraw/zinc/01/37/75/354013775.db2.gz QAVCGSFDOCNNEN-GFCCVEGCSA-N 2 0 298.431 -0.064 20 0 CBADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC[NH3+])c1ccco1 ZINC000418938637 354016535 /nfs/dbraw/zinc/01/65/35/354016535.db2.gz HADBABGECBMBOH-LLVKDONJSA-N 2 0 296.371 -0.146 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC000418958557 354017510 /nfs/dbraw/zinc/01/75/10/354017510.db2.gz GOFXENTYPJTYEU-QNWHQSFQSA-N 2 0 296.415 -0.206 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H](C)[NH2+]1 ZINC000418958558 354017559 /nfs/dbraw/zinc/01/75/59/354017559.db2.gz GOFXENTYPJTYEU-YVECIDJPSA-N 2 0 296.415 -0.206 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000419003563 354022655 /nfs/dbraw/zinc/02/26/55/354022655.db2.gz QJNTXKRNYIWKLJ-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000419009825 354022995 /nfs/dbraw/zinc/02/29/95/354022995.db2.gz XXZPIGGJNRFKCG-UHFFFAOYSA-N 2 0 270.377 -0.686 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000419020837 354024528 /nfs/dbraw/zinc/02/45/28/354024528.db2.gz GETPWUUZGUZQNH-RWMBFGLXSA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419032410 354025107 /nfs/dbraw/zinc/02/51/07/354025107.db2.gz WMQLSZWONGXIHN-XQQFMLRXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCC[NH3+] ZINC000419029680 354025343 /nfs/dbraw/zinc/02/53/43/354025343.db2.gz RTXLPUFYMNGGJM-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC[NH3+] ZINC000419032919 354026266 /nfs/dbraw/zinc/02/62/66/354026266.db2.gz XPXVZSCFEAXUMU-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)C1 ZINC000419033411 354026773 /nfs/dbraw/zinc/02/67/73/354026773.db2.gz XHWJJRNPCAIVGK-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419283310 354043052 /nfs/dbraw/zinc/04/30/52/354043052.db2.gz JPUOOONRIHQWAL-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000419100691 354028160 /nfs/dbraw/zinc/02/81/60/354028160.db2.gz JEJTVSHUFSUVIU-DGCLKSJQSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419095223 354028788 /nfs/dbraw/zinc/02/87/88/354028788.db2.gz AJFNSCYGQZFEPD-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)C1CC1 ZINC000419105892 354028816 /nfs/dbraw/zinc/02/88/16/354028816.db2.gz OCRIHAQHVZYWGL-JTQLQIEISA-N 2 0 268.361 -0.854 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000419131991 354030806 /nfs/dbraw/zinc/03/08/06/354030806.db2.gz FFVKRNKNOLTKGQ-YNEHKIRRSA-N 2 0 296.415 -0.204 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419283582 354043251 /nfs/dbraw/zinc/04/32/51/354043251.db2.gz JQFMDIGHVDMHKR-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N(C)CC[NH3+])[NH+]1CCC(C)CC1 ZINC000419142933 354031422 /nfs/dbraw/zinc/03/14/22/354031422.db2.gz CUZQKDRTJBXGBX-LBPRGKRZSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000419147157 354032663 /nfs/dbraw/zinc/03/26/63/354032663.db2.gz BRJHIJBABQVDGE-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419155388 354032949 /nfs/dbraw/zinc/03/29/49/354032949.db2.gz SWTABNUXQXCGIC-IJLUTSLNSA-N 2 0 284.404 -0.348 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419159498 354033744 /nfs/dbraw/zinc/03/37/44/354033744.db2.gz ZIUJQFPLIACHAX-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000419156080 354034248 /nfs/dbraw/zinc/03/42/48/354034248.db2.gz UPTRQVXXZYJFOP-RYUDHWBXSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419159497 354034279 /nfs/dbraw/zinc/03/42/79/354034279.db2.gz ZIUJQFPLIACHAX-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419279053 354043404 /nfs/dbraw/zinc/04/34/04/354043404.db2.gz BZBHCAWUHBIIDK-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000419224843 354037989 /nfs/dbraw/zinc/03/79/89/354037989.db2.gz NUQKZFAKWUAKHN-CYBMUJFWSA-N 2 0 296.415 -0.274 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419227111 354038958 /nfs/dbraw/zinc/03/89/58/354038958.db2.gz SCEAPEQULSHHED-CYBMUJFWSA-N 2 0 294.399 -0.377 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419227112 354039498 /nfs/dbraw/zinc/03/94/98/354039498.db2.gz SCEAPEQULSHHED-ZDUSSCGKSA-N 2 0 294.399 -0.377 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000419576284 354062198 /nfs/dbraw/zinc/06/21/98/354062198.db2.gz BVXRYKWXXRDFEO-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419577372 354064255 /nfs/dbraw/zinc/06/42/55/354064255.db2.gz CYVCPKRDYVBXMC-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[N@H+](C)C1CC1 ZINC000419593583 354065022 /nfs/dbraw/zinc/06/50/22/354065022.db2.gz SWONVFZZQQDSIX-GRYCIOLGSA-N 2 0 296.415 -0.206 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[N@H+](C)C1CC1 ZINC000419596387 354065213 /nfs/dbraw/zinc/06/52/13/354065213.db2.gz YAVQXBFWMQSICM-SKDRFNHKSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000419662949 354068185 /nfs/dbraw/zinc/06/81/85/354068185.db2.gz ISUYTUNDIAVHOJ-LLVKDONJSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000419878664 354088083 /nfs/dbraw/zinc/08/80/83/354088083.db2.gz SJFWBAVKYWAECJ-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419696913 354070380 /nfs/dbraw/zinc/07/03/80/354070380.db2.gz PSIKXMVIAFDAEQ-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000419696864 354070585 /nfs/dbraw/zinc/07/05/85/354070585.db2.gz PLPXUOFANGKBQP-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000419716101 354071515 /nfs/dbraw/zinc/07/15/15/354071515.db2.gz QCUHZDDPWQVXHW-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419718039 354071957 /nfs/dbraw/zinc/07/19/57/354071957.db2.gz AKEUQKZFVAGRJB-LLVKDONJSA-N 2 0 270.377 -0.702 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000419718384 354072181 /nfs/dbraw/zinc/07/21/81/354072181.db2.gz ATVZDNUHNFQGIB-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000419721356 354072862 /nfs/dbraw/zinc/07/28/62/354072862.db2.gz GXXPLKVZDRHPQI-TXEJJXNPSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419737338 354073722 /nfs/dbraw/zinc/07/37/22/354073722.db2.gz SYKGLHQBJFKLEB-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419733009 354073794 /nfs/dbraw/zinc/07/37/94/354073794.db2.gz NNHIRUGXGYFVQO-JTQLQIEISA-N 2 0 258.366 -0.750 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419736769 354073862 /nfs/dbraw/zinc/07/38/62/354073862.db2.gz SFICDXOIPRTRKT-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000419736165 354074193 /nfs/dbraw/zinc/07/41/93/354074193.db2.gz RMIMVEHMPKNEFM-YPMHNXCESA-N 2 0 294.399 -0.321 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000419740888 354074810 /nfs/dbraw/zinc/07/48/10/354074810.db2.gz YOJGDECMYQFKOX-DGCLKSJQSA-N 2 0 296.415 -0.027 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419739849 354074912 /nfs/dbraw/zinc/07/49/12/354074912.db2.gz WVTYPVVOGOUIBE-UHFFFAOYSA-N 2 0 296.415 -0.130 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419765192 354075751 /nfs/dbraw/zinc/07/57/51/354075751.db2.gz QCCYUKISHUFXHV-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419776203 354077118 /nfs/dbraw/zinc/07/71/18/354077118.db2.gz JNRGMXWGYVFKHG-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419783684 354077201 /nfs/dbraw/zinc/07/72/01/354077201.db2.gz PQFSMAXBROKQRR-IJLUTSLNSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000419785073 354077358 /nfs/dbraw/zinc/07/73/58/354077358.db2.gz YHBMNFHIWDOZPU-NWDGAFQWSA-N 2 0 298.431 -0.066 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000419782602 354077503 /nfs/dbraw/zinc/07/75/03/354077503.db2.gz UJYHIMXZJOKCKB-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NCC[NH3+] ZINC000419813590 354079392 /nfs/dbraw/zinc/07/93/92/354079392.db2.gz GXYLLDKYOKQFQU-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)C[NH+]1CCCC1 ZINC000419805571 354079432 /nfs/dbraw/zinc/07/94/32/354079432.db2.gz CCGFXRBRSQKNIV-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000419815095 354079510 /nfs/dbraw/zinc/07/95/10/354079510.db2.gz HNJRRIULGPTSKZ-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NCC[NH3+] ZINC000419823340 354080443 /nfs/dbraw/zinc/08/04/43/354080443.db2.gz XXRROZBDJIMJOX-UHFFFAOYSA-N 2 0 272.393 -0.358 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH2+]CC2)CCCCC1 ZINC000419817730 354080508 /nfs/dbraw/zinc/08/05/08/354080508.db2.gz LZCJJDJXNNSYDE-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000419830420 354081103 /nfs/dbraw/zinc/08/11/03/354081103.db2.gz QGUIEIMWNFQCHU-AVGNSLFASA-N 2 0 296.415 -0.299 20 0 CBADRP [NH3+]CCCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000419837445 354082193 /nfs/dbraw/zinc/08/21/93/354082193.db2.gz MCUCUIXFXGQDQK-ZDUSSCGKSA-N 2 0 296.415 -0.072 20 0 CBADRP [NH3+]CCCNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000419838154 354082324 /nfs/dbraw/zinc/08/23/24/354082324.db2.gz NWKWJWVPWJFSCH-UHFFFAOYSA-N 2 0 296.415 -0.072 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419837671 354082337 /nfs/dbraw/zinc/08/23/37/354082337.db2.gz XBHPEQHQRJACIV-RWMBFGLXSA-N 2 0 294.399 -0.402 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419861717 354086287 /nfs/dbraw/zinc/08/62/87/354086287.db2.gz MIONEGYMQDDNKF-GFCCVEGCSA-N 2 0 282.388 -0.606 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NCCC[NH3+] ZINC000419284244 354043703 /nfs/dbraw/zinc/04/37/03/354043703.db2.gz KWFRVVOIUJZPLI-UHFFFAOYSA-N 2 0 258.366 -0.701 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000419316847 354045883 /nfs/dbraw/zinc/04/58/83/354045883.db2.gz LXEHMBMZEJJGSG-NEPJUHHUSA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000419315584 354046228 /nfs/dbraw/zinc/04/62/28/354046228.db2.gz KGVCIGNCFNYQPU-GMXVVIOVSA-N 2 0 296.415 -0.173 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419337939 354046944 /nfs/dbraw/zinc/04/69/44/354046944.db2.gz RMJBHYPPFAPQHO-WZRBSPASSA-N 2 0 294.399 -0.594 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419337933 354047147 /nfs/dbraw/zinc/04/71/47/354047147.db2.gz RMJBHYPPFAPQHO-DMDPSCGWSA-N 2 0 294.399 -0.594 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000419325980 354047490 /nfs/dbraw/zinc/04/74/90/354047490.db2.gz XVGJHIPEBIIJGN-NXEZZACHSA-N 2 0 282.388 -0.419 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000419403018 354051393 /nfs/dbraw/zinc/05/13/93/354051393.db2.gz CZICLSGIMZUWIH-ZDUSSCGKSA-N 2 0 298.431 -0.194 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419414704 354052288 /nfs/dbraw/zinc/05/22/88/354052288.db2.gz UHVHOPVOHVVDJF-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419408898 354052441 /nfs/dbraw/zinc/05/24/41/354052441.db2.gz MKVIFXNCBDHEDL-GFCCVEGCSA-N 2 0 284.404 -0.440 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000419411506 354052649 /nfs/dbraw/zinc/05/26/49/354052649.db2.gz PWQFNLNLEIKKGS-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000419410137 354052792 /nfs/dbraw/zinc/05/27/92/354052792.db2.gz OGJWYVLAHMURLR-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419416531 354053668 /nfs/dbraw/zinc/05/36/68/354053668.db2.gz WGRMIDGMXLZQHY-LLVKDONJSA-N 2 0 270.377 -0.830 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000419417658 354053737 /nfs/dbraw/zinc/05/37/37/354053737.db2.gz XKNJNTNCHILCGJ-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419416539 354053826 /nfs/dbraw/zinc/05/38/26/354053826.db2.gz WHJSYLZLBIQXQJ-ZDUSSCGKSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NCC[NH3+])C1 ZINC000419423442 354053830 /nfs/dbraw/zinc/05/38/30/354053830.db2.gz NJFLYWHGTJSUCV-RYUDHWBXSA-N 2 0 284.404 -0.455 20 0 CBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NCC[NH3+])C1 ZINC000419474092 354055809 /nfs/dbraw/zinc/05/58/09/354055809.db2.gz BMMMIESPCVYNIQ-BETUJISGSA-N 2 0 298.431 -0.064 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419521214 354057169 /nfs/dbraw/zinc/05/71/69/354057169.db2.gz JMMXJRAZBGGOMC-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419519079 354057479 /nfs/dbraw/zinc/05/74/79/354057479.db2.gz FNTKZMJRCKBJOG-GHMZBOCLSA-N 2 0 272.393 -0.314 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419529425 354058226 /nfs/dbraw/zinc/05/82/26/354058226.db2.gz XRYNHUOSIZQIDL-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000419527431 354058471 /nfs/dbraw/zinc/05/84/71/354058471.db2.gz VBDJLYINHRQTJC-LLVKDONJSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419524564 354058504 /nfs/dbraw/zinc/05/85/04/354058504.db2.gz QFQDXTIHNAUWMR-ZYHUDNBSSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C)C[NH2+]C)C1CC1 ZINC000419529391 354058545 /nfs/dbraw/zinc/05/85/45/354058545.db2.gz XNARMHLGNZRBQG-NSHDSACASA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[NH2+]C ZINC000419524551 354058743 /nfs/dbraw/zinc/05/87/43/354058743.db2.gz QDSZSEOAVSKMHN-JTQLQIEISA-N 2 0 258.366 -0.832 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419526143 354058758 /nfs/dbraw/zinc/05/87/58/354058758.db2.gz SOLLZZAGGNCAIG-VHSXEESVSA-N 2 0 258.366 -0.704 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)C1CC1 ZINC000419527548 354058805 /nfs/dbraw/zinc/05/88/05/354058805.db2.gz VJFBUZSWQSIFSJ-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000419541785 354059361 /nfs/dbraw/zinc/05/93/61/354059361.db2.gz DTXRCNSIFVJZQA-QJPTWQEYSA-N 2 0 284.404 -0.315 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000419530775 354059438 /nfs/dbraw/zinc/05/94/38/354059438.db2.gz ZKLOVVVWCYSKGP-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000419872389 354087665 /nfs/dbraw/zinc/08/76/65/354087665.db2.gz LOBKJZZVCOZBNG-OLZOCXBDSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](NC(=O)C(=O)N(C)CC[NH3+])C(C)(C)C[NH+](C)C ZINC000419549742 354059862 /nfs/dbraw/zinc/05/98/62/354059862.db2.gz UEZYDPBCEYUFEO-JTQLQIEISA-N 2 0 272.393 -0.504 20 0 CBADRP C[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CC1)C(C)(C)C[NH+](C)C ZINC000419548526 354059876 /nfs/dbraw/zinc/05/98/76/354059876.db2.gz RLYZUGQXTVKOCO-CMPLNLGQSA-N 2 0 298.431 -0.068 20 0 CBADRP C[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)C(C)(C)C[NH+](C)C ZINC000419548530 354060292 /nfs/dbraw/zinc/06/02/92/354060292.db2.gz RLYZUGQXTVKOCO-PWSUYJOCSA-N 2 0 298.431 -0.068 20 0 CBADRP C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000419549267 354060328 /nfs/dbraw/zinc/06/03/28/354060328.db2.gz SUKUBGGNEZAVPR-NWDGAFQWSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H]1[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)CCC[N@@H+]1C ZINC000419542364 354060370 /nfs/dbraw/zinc/06/03/70/354060370.db2.gz FJPSPHNNGNKUFQ-SRVKXCTJSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)C(C)(C)C[NH+](C)C ZINC000419549009 354060393 /nfs/dbraw/zinc/06/03/93/354060393.db2.gz SJPMNYVCARBSHG-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000419561772 354060994 /nfs/dbraw/zinc/06/09/94/354060994.db2.gz UFNRKOHCPLMXCA-VWYCJHECSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000419561770 354061171 /nfs/dbraw/zinc/06/11/71/354061171.db2.gz UFNRKOHCPLMXCA-MXWKQRLJSA-N 2 0 270.377 -0.704 20 0 CBADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)N1CCCCC1 ZINC000420462650 354129900 /nfs/dbraw/zinc/12/99/00/354129900.db2.gz VVOSRDBZKRKVDA-UHFFFAOYSA-N 2 0 278.422 -0.283 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000419887817 354089816 /nfs/dbraw/zinc/08/98/16/354089816.db2.gz JGRCABHAZQPNCZ-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000419893337 354090678 /nfs/dbraw/zinc/09/06/78/354090678.db2.gz PSMPOSHQBUEFPJ-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419892804 354091009 /nfs/dbraw/zinc/09/10/09/354091009.db2.gz UWZZLULNGBVQEY-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000419937599 354094348 /nfs/dbraw/zinc/09/43/48/354094348.db2.gz WACNJPHKMJDJDU-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000419927456 354094389 /nfs/dbraw/zinc/09/43/89/354094389.db2.gz CSHWODFTCOHOHS-YNEHKIRRSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000419954538 354096534 /nfs/dbraw/zinc/09/65/34/354096534.db2.gz MEODWJTXRYIJGX-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C)C[NH2+]C)C(C)C ZINC000419949857 354096579 /nfs/dbraw/zinc/09/65/79/354096579.db2.gz LQXPOBJZDUPRGD-LBPRGKRZSA-N 2 0 286.420 -0.195 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000419961052 354097283 /nfs/dbraw/zinc/09/72/83/354097283.db2.gz SWNQKVUGBKXCLP-UPJWGTAASA-N 2 0 298.431 -0.066 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000419982511 354099900 /nfs/dbraw/zinc/09/99/00/354099900.db2.gz SZQTUUGLDVHWFG-UPJWGTAASA-N 2 0 296.415 -0.362 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000419987082 354100012 /nfs/dbraw/zinc/10/00/12/354100012.db2.gz CUKPEAHKQAGORP-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000420008118 354101951 /nfs/dbraw/zinc/10/19/51/354101951.db2.gz UBVRIBVVPXZVGA-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000420020998 354102672 /nfs/dbraw/zinc/10/26/72/354102672.db2.gz GRGPEWNTXIFGKK-SDDRHHMPSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000420016988 354102732 /nfs/dbraw/zinc/10/27/32/354102732.db2.gz ULKBQOLKTSYIQA-SNVBAGLBSA-N 2 0 258.366 -0.702 20 0 CBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420024957 354103906 /nfs/dbraw/zinc/10/39/06/354103906.db2.gz ASDVTTHLQVWQKR-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000420028344 354104359 /nfs/dbraw/zinc/10/43/59/354104359.db2.gz MGHZUXLWPIBHNR-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420060461 354106147 /nfs/dbraw/zinc/10/61/47/354106147.db2.gz KPEUCVVPQMEHNC-GFCCVEGCSA-N 2 0 296.415 -0.217 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420072282 354107156 /nfs/dbraw/zinc/10/71/56/354107156.db2.gz YXRSJELHEVOICC-WCQYABFASA-N 2 0 296.415 -0.360 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420072280 354107212 /nfs/dbraw/zinc/10/72/12/354107212.db2.gz YXRSJELHEVOICC-AAEUAGOBSA-N 2 0 296.415 -0.360 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420071952 354107452 /nfs/dbraw/zinc/10/74/52/354107452.db2.gz YOSCHOORRVBSBV-LBPRGKRZSA-N 2 0 282.388 -0.608 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420092905 354108398 /nfs/dbraw/zinc/10/83/98/354108398.db2.gz OVDBTRUEKJSPQD-UHFFFAOYSA-N 2 0 282.388 -0.463 20 0 CBADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)N1CC[NH2+]CC1 ZINC000420270832 354120800 /nfs/dbraw/zinc/12/08/00/354120800.db2.gz JPJKKFWGIJPGIA-CYBMUJFWSA-N 3 0 268.405 -0.260 20 0 CBADRP CCS(=O)(=O)NCCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420313560 354122793 /nfs/dbraw/zinc/12/27/93/354122793.db2.gz UMKRLFHTOQTVSV-QWRGUYRKSA-N 2 0 263.407 -0.015 20 0 CBADRP COC(=O)CCNC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420322506 354123011 /nfs/dbraw/zinc/12/30/11/354123011.db2.gz WQGUOALLZINGFS-ZDUSSCGKSA-N 2 0 297.399 -0.013 20 0 CBADRP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420318660 354123136 /nfs/dbraw/zinc/12/31/36/354123136.db2.gz OIGQRNQZLKYFTD-WDEREUQCSA-N 2 0 263.407 -0.015 20 0 CBADRP CN(CCC(=O)N1CC[NH2+]CC1)C1(C[NH3+])CCC1 ZINC000420336009 354124153 /nfs/dbraw/zinc/12/41/53/354124153.db2.gz VIBQZKAEKSRXJP-UHFFFAOYSA-N 2 0 254.378 -0.379 20 0 CBADRP COC(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000420358528 354125485 /nfs/dbraw/zinc/12/54/85/354125485.db2.gz JJJFKPYQHCJTFM-LBPRGKRZSA-N 2 0 283.372 -0.164 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000423231629 354165342 /nfs/dbraw/zinc/16/53/42/354165342.db2.gz HDAZYLJUDIYLCS-RYUDHWBXSA-N 2 0 282.388 -0.641 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000423214022 354165557 /nfs/dbraw/zinc/16/55/57/354165557.db2.gz ODIQBPFKAMKIJH-GFCCVEGCSA-N 2 0 282.388 -0.639 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)C1 ZINC000423245391 354165741 /nfs/dbraw/zinc/16/57/41/354165741.db2.gz OWQMQDOMELYVBA-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000423208389 354165767 /nfs/dbraw/zinc/16/57/67/354165767.db2.gz HUULRUNRWPFCED-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423494733 354177766 /nfs/dbraw/zinc/17/77/66/354177766.db2.gz DIFRSIFLMJUQIC-LLVKDONJSA-N 2 0 270.377 -0.655 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1[NH3+] ZINC000423270737 354167171 /nfs/dbraw/zinc/16/71/71/354167171.db2.gz IHGSQCMHCSRXHE-RAIGVLPGSA-N 2 0 294.399 -0.513 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1[NH3+] ZINC000423270736 354167202 /nfs/dbraw/zinc/16/72/02/354167202.db2.gz IHGSQCMHCSRXHE-KGYLQXTDSA-N 2 0 294.399 -0.513 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]1 ZINC000423267004 354167257 /nfs/dbraw/zinc/16/72/57/354167257.db2.gz DNFAOSUBZGITOA-WCQYABFASA-N 2 0 294.399 -0.498 20 0 CBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000423483653 354177870 /nfs/dbraw/zinc/17/78/70/354177870.db2.gz SRKHBBCMJLFLRE-VXGBXAGGSA-N 2 0 255.362 -0.051 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000423499677 354177881 /nfs/dbraw/zinc/17/78/81/354177881.db2.gz IABTVYJNNMFNMS-BETUJISGSA-N 2 0 298.431 -0.006 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000423344899 354170396 /nfs/dbraw/zinc/17/03/96/354170396.db2.gz FNRYAIYSJMHXAE-UWVGGRQHSA-N 2 0 259.350 -0.277 20 0 CBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423380090 354173466 /nfs/dbraw/zinc/17/34/66/354173466.db2.gz DIVIJBXMXLNCGO-QWHCGFSZSA-N 2 0 296.415 -0.121 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1(C)C[NH2+]C1 ZINC000423383461 354173703 /nfs/dbraw/zinc/17/37/03/354173703.db2.gz FFKDHABMTOOAQL-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423376097 354173743 /nfs/dbraw/zinc/17/37/43/354173743.db2.gz ALTSIKRXYHOFPC-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000423424778 354175738 /nfs/dbraw/zinc/17/57/38/354175738.db2.gz CYKXEOIXNLCJOG-UWVGGRQHSA-N 2 0 273.377 -0.031 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000423415425 354176044 /nfs/dbraw/zinc/17/60/44/354176044.db2.gz AMVFXYNIZOZUBB-STQMWFEESA-N 2 0 294.399 -0.639 20 0 CBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000423439905 354176561 /nfs/dbraw/zinc/17/65/61/354176561.db2.gz WSXHOEUMXHLPDY-ZDUSSCGKSA-N 2 0 296.415 -0.392 20 0 CBADRP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)C1 ZINC000422541508 354149344 /nfs/dbraw/zinc/14/93/44/354149344.db2.gz LXVVTAFUUQSORZ-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)c1ccc2c[nH+]cn2c1 ZINC000422741615 354152582 /nfs/dbraw/zinc/15/25/82/354152582.db2.gz DZIROVUXXWAAEE-UHFFFAOYSA-N 2 0 273.340 -0.031 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000422966751 354158304 /nfs/dbraw/zinc/15/83/04/354158304.db2.gz ANJDKRYEKUMKOQ-SNVBAGLBSA-N 2 0 270.377 -0.608 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000422961635 354158319 /nfs/dbraw/zinc/15/83/19/354158319.db2.gz CPJAOUSKMQCGQS-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422975809 354158693 /nfs/dbraw/zinc/15/86/93/354158693.db2.gz UEZJZAHCZSXFNV-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000423592099 354182344 /nfs/dbraw/zinc/18/23/44/354182344.db2.gz DCECCMQLHTUOQJ-NSHDSACASA-N 2 0 270.377 -0.783 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000423625977 354186441 /nfs/dbraw/zinc/18/64/41/354186441.db2.gz RVIWNDUMMTVZTG-OLZOCXBDSA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000423638374 354187908 /nfs/dbraw/zinc/18/79/08/354187908.db2.gz DPNMJFBCIWYNPY-UTUOFQBUSA-N 2 0 282.388 -0.655 20 0 CBADRP CCN1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423667685 354190236 /nfs/dbraw/zinc/19/02/36/354190236.db2.gz JJEPADHDAHYNLN-NWDGAFQWSA-N 2 0 282.388 -0.654 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)CC[NH2+]1 ZINC000423689427 354191660 /nfs/dbraw/zinc/19/16/60/354191660.db2.gz YSPGBIOYRALJBS-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000423716162 354193142 /nfs/dbraw/zinc/19/31/42/354193142.db2.gz IASDAMKCUSBIRY-RYUDHWBXSA-N 2 0 284.404 -0.265 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C[C@H](C)[NH2+]1 ZINC000423729718 354194942 /nfs/dbraw/zinc/19/49/42/354194942.db2.gz VHDIUFCBMIXJJJ-XQQFMLRXSA-N 2 0 296.415 -0.252 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H]1[NH3+] ZINC000423982619 354206072 /nfs/dbraw/zinc/20/60/72/354206072.db2.gz RTSHTXLXHATBSA-GRYCIOLGSA-N 2 0 282.388 -0.798 20 0 CBADRP CN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[C@@H](C[NH3+])C1CC1 ZINC000423941846 354206202 /nfs/dbraw/zinc/20/62/02/354206202.db2.gz DFBAQGFLJYHSNE-OLZOCXBDSA-N 2 0 296.415 -0.408 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H]1[NH3+] ZINC000423982620 354206334 /nfs/dbraw/zinc/20/63/34/354206334.db2.gz RTSHTXLXHATBSA-IJLUTSLNSA-N 2 0 282.388 -0.798 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424057905 354207845 /nfs/dbraw/zinc/20/78/45/354207845.db2.gz KHTBXBNZXGRBOM-ZJUUUORDSA-N 2 0 263.345 -0.032 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000424061316 354208174 /nfs/dbraw/zinc/20/81/74/354208174.db2.gz SCIOMRZRIPMWIT-WDEREUQCSA-N 2 0 261.329 -0.223 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424075518 354208821 /nfs/dbraw/zinc/20/88/21/354208821.db2.gz JLMIDQWNBLUGFW-MNOVXSKESA-N 2 0 278.360 -0.316 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424082224 354209174 /nfs/dbraw/zinc/20/91/74/354209174.db2.gz WJHNITRBDAZBMU-MNOVXSKESA-N 2 0 280.376 -0.084 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424140677 354211177 /nfs/dbraw/zinc/21/11/77/354211177.db2.gz SQCFSYJOEAEEQC-TUAOUCFPSA-N 2 0 255.362 -0.193 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000424155733 354212201 /nfs/dbraw/zinc/21/22/01/354212201.db2.gz ODILOEWYXXCGEP-SDDRHHMPSA-N 2 0 253.346 -0.486 20 0 CBADRP C[NH+]1CCN(c2cc(CNC(=O)[C@@H]3C[C@@H]3[NH3+])ccn2)CC1 ZINC000424160987 354212373 /nfs/dbraw/zinc/21/23/73/354212373.db2.gz XTUJWGYNVPUESG-OLZOCXBDSA-N 2 0 289.383 -0.203 20 0 CBADRP [NH3+]C1(CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CCC1 ZINC000424157448 354212527 /nfs/dbraw/zinc/21/25/27/354212527.db2.gz RCHFKAQNNKDLBC-SNVBAGLBSA-N 2 0 278.360 -0.186 20 0 CBADRP CN(C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)C1CC([NH3+])C1 ZINC000424163431 354213292 /nfs/dbraw/zinc/21/32/92/354213292.db2.gz DUDPZGUKUGCCOM-HSOILSAZSA-N 2 0 278.360 -0.236 20 0 CBADRP C[NH+](C)CCCOC1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000424177923 354215876 /nfs/dbraw/zinc/21/58/76/354215876.db2.gz VLGKYEPNXJDGCW-CQSZACIVSA-N 2 0 299.415 -0.066 20 0 CBADRP C[C@@H]1CCN(C(=O)C2([NH3+])CCOCC2)C[C@@H]1C[NH3+] ZINC000424187744 354216804 /nfs/dbraw/zinc/21/68/04/354216804.db2.gz BGMUQISAOSOCTI-MNOVXSKESA-N 2 0 255.362 -0.062 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000427779093 354245403 /nfs/dbraw/zinc/24/54/03/354245403.db2.gz HCTMIJPAJMVNIC-MCIONIFRSA-N 2 0 281.400 -0.025 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)N1CCOCC1 ZINC000429493187 354247968 /nfs/dbraw/zinc/24/79/68/354247968.db2.gz HBZRVZYZVQVPHF-NWDGAFQWSA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)C[NH+]1CCN(C)CC1 ZINC000431016190 354251461 /nfs/dbraw/zinc/25/14/61/354251461.db2.gz YVUMLOZCEFMTFX-ZIAGYGMSSA-N 2 0 298.431 -0.635 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000431059626 354251853 /nfs/dbraw/zinc/25/18/53/354251853.db2.gz WMCUNCMDQSWEJI-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP CS(=O)(=O)NCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431025275 354251898 /nfs/dbraw/zinc/25/18/98/354251898.db2.gz YFGGDVHAZQZWQA-UHFFFAOYSA-N 2 0 261.391 -0.389 20 0 CBADRP C[C@H]([NH3+])CN1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000442665109 354258402 /nfs/dbraw/zinc/25/84/02/354258402.db2.gz OCQZNKLVZVVDJN-ZDUSSCGKSA-N 2 0 268.405 -0.036 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1C[NH2+]CCO1 ZINC000444169192 354262123 /nfs/dbraw/zinc/26/21/23/354262123.db2.gz QDOWETVYWAKBNI-QJPTWQEYSA-N 2 0 253.346 -0.282 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1coc(C[NH3+])c1 ZINC000444177845 354263013 /nfs/dbraw/zinc/26/30/13/354263013.db2.gz UGPFLDFCMOFVLA-LBPRGKRZSA-N 2 0 294.355 -0.192 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444174196 354263323 /nfs/dbraw/zinc/26/33/23/354263323.db2.gz GAJYCJGIGABFKZ-GFCCVEGCSA-N 2 0 280.372 -0.885 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C3([NH3+])CCCC3)C[C@H]2[NH3+])cn1 ZINC000424237802 354221143 /nfs/dbraw/zinc/22/11/43/354221143.db2.gz MLUSVHHTTOXHAR-NWDGAFQWSA-N 2 0 277.372 -0.055 20 0 CBADRP CC[C@H]1CN(C(=O)[C@H]2CC[NH2+]C2)CC[N@@H+]1C[C@@H](C)O ZINC000446365211 354286552 /nfs/dbraw/zinc/28/65/52/354286552.db2.gz VMDGDPCTWPSFFT-AGIUHOORSA-N 2 0 269.389 -0.101 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C[NH3+])OC)C1 ZINC000447435654 354298452 /nfs/dbraw/zinc/29/84/52/354298452.db2.gz QCJHSCTUCUNCJH-QWRGUYRKSA-N 2 0 259.350 -0.813 20 0 CBADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000449059063 354317401 /nfs/dbraw/zinc/31/74/01/354317401.db2.gz OKZYVCQJACNBMC-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CC[NH2+]C2(C)C)CC1=O ZINC000449749895 354321725 /nfs/dbraw/zinc/32/17/25/354321725.db2.gz HDTWULNYJYGZGB-NWDGAFQWSA-N 2 0 296.415 -0.347 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000459901013 354392822 /nfs/dbraw/zinc/39/28/22/354392822.db2.gz TUXMQUMHCNNZIQ-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)CCOCCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000471643689 354401227 /nfs/dbraw/zinc/40/12/27/354401227.db2.gz KFAFXLJKIKYDOT-CYBMUJFWSA-N 2 0 290.408 -0.824 20 0 CBADRP C[NH+](C)C/C=C/C(=O)NCCCNC(=O)/C=C\C[NH+](C)C ZINC000492916246 354484956 /nfs/dbraw/zinc/48/49/56/354484956.db2.gz AMABWDRDAFHZLN-LDFAFZTOSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H]1CN(CCNC(=O)/C=C/C[NH+](C)C)CCO1 ZINC000491869345 354460828 /nfs/dbraw/zinc/46/08/28/354460828.db2.gz NHZANNYWTPIJPS-ITKZLYELSA-N 2 0 255.362 -0.059 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)/C=C/C[NH+](C)C)C1 ZINC000491904847 354462160 /nfs/dbraw/zinc/46/21/60/354462160.db2.gz LAMZGWBBHOAXLP-ITKZLYELSA-N 2 0 255.362 -0.059 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)/C=C\C[NH+](C)C)C1 ZINC000491904849 354462479 /nfs/dbraw/zinc/46/24/79/354462479.db2.gz LAMZGWBBHOAXLP-RXNFCKPNSA-N 2 0 255.362 -0.059 20 0 CBADRP CN(C[C@@H](O)CN1CCOCC1)C(=O)/C=C/C[NH+](C)C ZINC000492101897 354466680 /nfs/dbraw/zinc/46/66/80/354466680.db2.gz DWNFORBNGZZKAM-MUBLQREKSA-N 2 0 285.388 -0.744 20 0 CBADRP C[C@@H](NC(=O)/C=C/C[NH+](C)C)C(=O)NCC[NH+](C)C ZINC000493172475 354489383 /nfs/dbraw/zinc/48/93/83/354489383.db2.gz QVTMZOMIQQTKDI-XUIVZRPNSA-N 2 0 270.377 -0.713 20 0 CBADRP C[C@H](NC(=O)/C=C\C[NH+](C)C)C(=O)NCC[NH+](C)C ZINC000493172476 354489839 /nfs/dbraw/zinc/48/98/39/354489839.db2.gz QVTMZOMIQQTKDI-ZADCQDASSA-N 2 0 270.377 -0.713 20 0 CBADRP C[C@@H]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000515523149 354555812 /nfs/dbraw/zinc/55/58/12/354555812.db2.gz QDAIXYOPVXKTCW-NEPJUHHUSA-N 2 0 297.403 -0.956 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC3CC[NH2+]CC3)CCN2C1=O ZINC000515073208 354556061 /nfs/dbraw/zinc/55/60/61/354556061.db2.gz NGLPWLZERHLINK-VXGBXAGGSA-N 3 0 252.362 -0.770 20 0 CBADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000535715296 354602253 /nfs/dbraw/zinc/60/22/53/354602253.db2.gz JXPLZVLJNYBKRU-UKRRQHHQSA-N 2 0 292.427 -0.023 20 0 CBADRP CNc1ncnc2c1cnn2C[C@@H](O)C[N@H+](C)CCOC ZINC000519424823 354561513 /nfs/dbraw/zinc/56/15/13/354561513.db2.gz BVPRPIAHBGTVMB-JTQLQIEISA-N 2 0 294.359 -0.193 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)C1 ZINC000519551385 354563466 /nfs/dbraw/zinc/56/34/66/354563466.db2.gz LXXBASAIAWJQDD-IUODEOHRSA-N 2 0 281.400 -0.099 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@H](C)C1 ZINC000519548879 354563885 /nfs/dbraw/zinc/56/38/85/354563885.db2.gz MWJJPCOUFHHCEY-AVGNSLFASA-N 2 0 296.415 -0.299 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCCC[NH3+])C1 ZINC000519816616 354566027 /nfs/dbraw/zinc/56/60/27/354566027.db2.gz GVWDCCJZUJZBDN-GFCCVEGCSA-N 2 0 284.404 -0.181 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000526127155 354575426 /nfs/dbraw/zinc/57/54/26/354575426.db2.gz FTEZEOAMSQCXMC-CQSZACIVSA-N 2 0 299.415 -0.207 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000529303616 354583309 /nfs/dbraw/zinc/58/33/09/354583309.db2.gz ABLLDCWSJKSOIM-MNOVXSKESA-N 2 0 268.361 -0.489 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529309003 354583529 /nfs/dbraw/zinc/58/35/29/354583529.db2.gz XIIWPVRNHUKBCT-STQMWFEESA-N 2 0 295.431 -0.184 20 0 CBADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529388956 354584927 /nfs/dbraw/zinc/58/49/27/354584927.db2.gz VDBARZDHEVIFIB-RYUDHWBXSA-N 2 0 270.377 -0.290 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529391128 354585418 /nfs/dbraw/zinc/58/54/18/354585418.db2.gz YASUIPAOBHLBHW-AXFHLTTASA-N 2 0 256.350 -0.647 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3COCC[NH2+]3)C[C@@H]21 ZINC000529390511 354585948 /nfs/dbraw/zinc/58/59/48/354585948.db2.gz VKMWQCIOMURLNH-UTUOFQBUSA-N 2 0 268.361 -0.680 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C1CC1 ZINC000534266060 354595967 /nfs/dbraw/zinc/59/59/67/354595967.db2.gz GGRNFZVKNHOWTA-UONOGXRCSA-N 2 0 280.416 -0.167 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[NH+]1CCCC1 ZINC000534268715 354596725 /nfs/dbraw/zinc/59/67/25/354596725.db2.gz UJRIBIUTYPJBIJ-KGLIPLIRSA-N 2 0 280.416 -0.023 20 0 CBADRP C[NH2+]C[C@@H](O)C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000496843212 354551388 /nfs/dbraw/zinc/55/13/88/354551388.db2.gz AFSUUMCUCRGPCN-ZWNOBZJWSA-N 2 0 291.392 -0.568 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000546590489 354653432 /nfs/dbraw/zinc/65/34/32/354653432.db2.gz BXFBFWMGJTWCQE-WFASDCNBSA-N 2 0 296.415 -0.164 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)C[N@@H+]1C1CC1 ZINC000547298838 354657645 /nfs/dbraw/zinc/65/76/45/354657645.db2.gz UIQAAZQWMFXYEH-JMSVASOKSA-N 2 0 296.415 -0.023 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000537567801 354610061 /nfs/dbraw/zinc/61/00/61/354610061.db2.gz YPAAMQCFTRONAG-SOUVJXGZSA-N 2 0 285.432 -0.049 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000562829593 354689223 /nfs/dbraw/zinc/68/92/23/354689223.db2.gz URFYCHDGANKLHW-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000562831820 354689323 /nfs/dbraw/zinc/68/93/23/354689323.db2.gz QKDNVESZOOOWNV-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CO[C@@H](C)[C@@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000563012332 354691894 /nfs/dbraw/zinc/69/18/94/354691894.db2.gz SOPHPKJIKNFPSP-FRRDWIJNSA-N 2 0 259.394 -0.392 20 0 CBADRP C[C@@H]1CN(CCO)CCN1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000563034938 354692509 /nfs/dbraw/zinc/69/25/09/354692509.db2.gz DNWUYUHKZMWVHJ-OLZOCXBDSA-N 2 0 296.415 -0.069 20 0 CBADRP CO[C@@H]1C[NH+](CCCC[N@@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000563052342 354693396 /nfs/dbraw/zinc/69/33/96/354693396.db2.gz KSQXHLLTZPTPJT-AAVRWANBSA-N 2 0 288.388 -0.850 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000563077366 354694538 /nfs/dbraw/zinc/69/45/38/354694538.db2.gz CNENUGGFACHTCH-UONOGXRCSA-N 2 0 297.399 -0.314 20 0 CBADRP CC1CC[NH+](C[C@H](O)CNC(=O)COC2C[NH2+]C2)CC1 ZINC000563075740 354694802 /nfs/dbraw/zinc/69/48/02/354694802.db2.gz PHFAWKBKJSENFG-GFCCVEGCSA-N 2 0 285.388 -0.816 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000563091974 354695995 /nfs/dbraw/zinc/69/59/95/354695995.db2.gz HZDIXIIHFUFYRK-KOLCDFICSA-N 2 0 269.345 -0.523 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000563107605 354696590 /nfs/dbraw/zinc/69/65/90/354696590.db2.gz RUYJQDYWBWSUTQ-JTQLQIEISA-N 2 0 290.327 -0.157 20 0 CBADRP CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000563106611 354696621 /nfs/dbraw/zinc/69/66/21/354696621.db2.gz YLNQRESOIQXYML-GFCCVEGCSA-N 2 0 282.388 -0.545 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000563106936 354697024 /nfs/dbraw/zinc/69/70/24/354697024.db2.gz XAXJTZLVROJOJC-LLVKDONJSA-N 2 0 282.388 -0.571 20 0 CBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)[NH2+]C)C2)CC1 ZINC000565212559 354732374 /nfs/dbraw/zinc/73/23/74/354732374.db2.gz ILASMBBDPRNWOE-CHWSQXEVSA-N 2 0 268.405 -0.167 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]C3CC3)C2)O1 ZINC000563160040 354700719 /nfs/dbraw/zinc/70/07/19/354700719.db2.gz NWLDUAXJQYNKJC-TUAOUCFPSA-N 2 0 253.346 -0.154 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000563160488 354700887 /nfs/dbraw/zinc/70/08/87/354700887.db2.gz OWBNBWNMRUUCSX-CZXHOFHRSA-N 2 0 294.399 -0.513 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000563203352 354703030 /nfs/dbraw/zinc/70/30/30/354703030.db2.gz WTUDYZNXGRUPQT-CHWSQXEVSA-N 2 0 296.415 -0.025 20 0 CBADRP COC[C@](C)(CC(=O)OC)[NH2+]CCN1CC[NH2+]CC1 ZINC000563811772 354706305 /nfs/dbraw/zinc/70/63/05/354706305.db2.gz NQVILSJEJRXMJN-ZDUSSCGKSA-N 2 0 273.377 -0.551 20 0 CBADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CNC(=O)C[NH3+] ZINC000563956099 354707724 /nfs/dbraw/zinc/70/77/24/354707724.db2.gz BZYDLFOFRAAQJO-JTQLQIEISA-N 2 0 270.377 -0.750 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000565255159 354734508 /nfs/dbraw/zinc/73/45/08/354734508.db2.gz QNNPESJLXSJMKZ-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000563946439 354708033 /nfs/dbraw/zinc/70/80/33/354708033.db2.gz HGLDHQKIAZLAFW-NSHDSACASA-N 2 0 282.388 -0.689 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)C1CCC1 ZINC000563956485 354708116 /nfs/dbraw/zinc/70/81/16/354708116.db2.gz SSOMDUOGJMYAFX-QWHCGFSZSA-N 2 0 266.389 -0.380 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000563956367 354708256 /nfs/dbraw/zinc/70/82/56/354708256.db2.gz NXDRDWNCZSMAPE-KBPBESRZSA-N 2 0 296.415 -0.739 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000564082878 354709743 /nfs/dbraw/zinc/70/97/43/354709743.db2.gz GTUHPYPEIDIYAO-WDEREUQCSA-N 2 0 268.361 -0.935 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N1CCNC[C@@H]1C(F)F ZINC000564571214 354713761 /nfs/dbraw/zinc/71/37/61/354713761.db2.gz KOYHVFOMQDCFQY-SNVBAGLBSA-N 2 0 277.315 -0.180 20 0 CBADRP CCC[C@](C)([NH3+])C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000564796123 354716304 /nfs/dbraw/zinc/71/63/04/354716304.db2.gz CPUPQGPHSHSOJD-LBPRGKRZSA-N 2 0 281.364 -0.330 20 0 CBADRP CN1CCN(C(=O)COC2CCC([NH3+])CC2)[C@H](C[NH3+])C1 ZINC000564798041 354717378 /nfs/dbraw/zinc/71/73/78/354717378.db2.gz QBSOSIRAJBPMAQ-OTTFEQOBSA-N 2 0 284.404 -0.626 20 0 CBADRP C[C@@H](NCC(=O)N1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000564822616 354717420 /nfs/dbraw/zinc/71/74/20/354717420.db2.gz OVIIFZCJBCPBMO-NEPJUHHUSA-N 2 0 254.378 -0.462 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000564841332 354718623 /nfs/dbraw/zinc/71/86/23/354718623.db2.gz DQSGBCUJPVASCM-OLZOCXBDSA-N 2 0 263.341 -0.339 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000564922025 354719972 /nfs/dbraw/zinc/71/99/72/354719972.db2.gz DJLKGVKLGHVGMH-NWDGAFQWSA-N 2 0 268.405 -0.121 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)COC1CC[NH2+]CC1 ZINC000564910053 354720520 /nfs/dbraw/zinc/72/05/20/354720520.db2.gz VNZJWFYURRXMTH-UHFFFAOYSA-N 2 0 287.404 -0.161 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000564932843 354721405 /nfs/dbraw/zinc/72/14/05/354721405.db2.gz JRWASVHVKJXRAG-KBPBESRZSA-N 2 0 296.415 -0.739 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000564951024 354722196 /nfs/dbraw/zinc/72/21/96/354722196.db2.gz HQFFKQBCZHGDMU-CYBMUJFWSA-N 2 0 282.388 -0.702 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000564954414 354723065 /nfs/dbraw/zinc/72/30/65/354723065.db2.gz MTXHJVIPFSPKEY-ZAZJYDDPSA-N 2 0 297.399 -0.377 20 0 CBADRP Nc1cc[nH+]cc1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000564980704 354723951 /nfs/dbraw/zinc/72/39/51/354723951.db2.gz BYOCAPRIXYKVFE-SNVBAGLBSA-N 2 0 291.355 -0.579 20 0 CBADRP C[C@@](C[NH3+])(NC(=O)COC1CC[NH2+]CC1)C1CC1 ZINC000564991638 354725010 /nfs/dbraw/zinc/72/50/10/354725010.db2.gz NBWBYINMFFBGIB-ZDUSSCGKSA-N 2 0 255.362 -0.001 20 0 CBADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000564995425 354725855 /nfs/dbraw/zinc/72/58/55/354725855.db2.gz RMKCRHLYGCYNCG-MXWKQRLJSA-N 2 0 255.362 -0.396 20 0 CBADRP [NH3+]CC[C@H](NC(=O)C[NH2+]C[C@H]1CCCO1)C(F)F ZINC000565891037 354747385 /nfs/dbraw/zinc/74/73/85/354747385.db2.gz HHMIPCPPXOBQIJ-BDAKNGLRSA-N 2 0 265.304 -0.146 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000565930929 354748399 /nfs/dbraw/zinc/74/83/99/354748399.db2.gz ZXGXOLUJJDKILU-CABCVRRESA-N 2 0 285.432 -0.047 20 0 CBADRP CN1CCN(C(=O)CCc2ccncn2)[C@@H](C[NH3+])C1 ZINC000565949166 354748600 /nfs/dbraw/zinc/74/86/00/354748600.db2.gz PQOFADPDEKYUKV-LBPRGKRZSA-N 2 0 263.345 -0.490 20 0 CBADRP CN1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000565948717 354748898 /nfs/dbraw/zinc/74/88/98/354748898.db2.gz HHVUAAZQAATVMB-JQWIXIFHSA-N 2 0 280.372 -0.901 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000566012826 354750445 /nfs/dbraw/zinc/75/04/45/354750445.db2.gz UPVOLVWODPVTLS-SDDRHHMPSA-N 2 0 254.378 -0.524 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000566102015 354752291 /nfs/dbraw/zinc/75/22/91/354752291.db2.gz FOWDXQKGTQIVBE-UWVGGRQHSA-N 2 0 296.337 -0.206 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CC(=O)OC)C1 ZINC000566194121 354756186 /nfs/dbraw/zinc/75/61/86/354756186.db2.gz ZCBWLJIZMISIAR-ZJUUUORDSA-N 2 0 257.334 -0.665 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000566189637 354756196 /nfs/dbraw/zinc/75/61/96/354756196.db2.gz RVKIKOBZVMJKQT-GRYCIOLGSA-N 2 0 253.346 -0.567 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000566200438 354756975 /nfs/dbraw/zinc/75/69/75/354756975.db2.gz KZRATRDOTHFNML-WDEREUQCSA-N 2 0 268.361 -0.935 20 0 CBADRP C[NH2+][C@@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)c1cnn(C)c1 ZINC000566211638 354757395 /nfs/dbraw/zinc/75/73/95/354757395.db2.gz MFTDKDNYIXLNJH-INTQDDNPSA-N 2 0 251.334 -0.371 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)nn1 ZINC000566289084 354762032 /nfs/dbraw/zinc/76/20/32/354762032.db2.gz VPPADNRUVFHICC-DGCLKSJQSA-N 2 0 292.387 -0.017 20 0 CBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000567613900 354791402 /nfs/dbraw/zinc/79/14/02/354791402.db2.gz SSUNPSPVUAQLHY-XQHKEYJVSA-N 2 0 296.415 -0.077 20 0 CBADRP [NH3+]CCc1ccccc1C(=O)NCCN1CC[NH2+]CC1 ZINC000566404616 354764182 /nfs/dbraw/zinc/76/41/82/354764182.db2.gz QOESNGZXPWDWCX-UHFFFAOYSA-N 2 0 276.384 -0.177 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000566407472 354765201 /nfs/dbraw/zinc/76/52/01/354765201.db2.gz VNWHPTQIMNFNQA-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000566511615 354769974 /nfs/dbraw/zinc/76/99/74/354769974.db2.gz WTONFCMSXDFDTO-JFGNBEQYSA-N 2 0 280.372 -0.937 20 0 CBADRP C[C@H](C[NH2+]C[C@@H](C)S(C)(=O)=O)CN1CC[NH+](C)CC1 ZINC000566557170 354770443 /nfs/dbraw/zinc/77/04/43/354770443.db2.gz PZVWOZAROZMIHL-CHWSQXEVSA-N 2 0 291.461 -0.107 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000566562360 354770800 /nfs/dbraw/zinc/77/08/00/354770800.db2.gz ZSFMXOJHIHSTTB-SNVBAGLBSA-N 2 0 270.377 -0.702 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000566858952 354776115 /nfs/dbraw/zinc/77/61/15/354776115.db2.gz JEXURISTIXVKFE-GUBZILKMSA-N 2 0 257.334 -0.524 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000566859140 354776142 /nfs/dbraw/zinc/77/61/42/354776142.db2.gz NLBVQMYUYGZIJK-MNOVXSKESA-N 2 0 270.377 -0.430 20 0 CBADRP O[C@@]1(C(F)(F)F)CC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000566856298 354776356 /nfs/dbraw/zinc/77/63/56/354776356.db2.gz WCKJNNDGWVLTPC-JTQLQIEISA-N 2 0 267.295 -0.109 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)CCN1CC[NH+](CC)CC1 ZINC000566916890 354777201 /nfs/dbraw/zinc/77/72/01/354777201.db2.gz CYNQAZWPSZVPSA-GFCCVEGCSA-N 2 0 256.394 -0.133 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000567096266 354780712 /nfs/dbraw/zinc/78/07/12/354780712.db2.gz LESFQKBCMYEMDS-KWCYVHTRSA-N 2 0 295.431 -0.247 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000567111502 354781548 /nfs/dbraw/zinc/78/15/48/354781548.db2.gz CAKBVNUJMLUZHS-GRYCIOLGSA-N 2 0 283.372 -0.181 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000567168686 354782499 /nfs/dbraw/zinc/78/24/99/354782499.db2.gz TWZVHSLHNJAVJR-NGZCFLSTSA-N 2 0 258.366 -0.672 20 0 CBADRP C[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)[C@H]1CCC[NH2+]C1 ZINC000567267811 354784642 /nfs/dbraw/zinc/78/46/42/354784642.db2.gz QCRGFHOKFILCFQ-SRVKXCTJSA-N 2 0 255.362 -0.131 20 0 CBADRP CCC[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[NH+](C)C ZINC000567292422 354785075 /nfs/dbraw/zinc/78/50/75/354785075.db2.gz PROVWMXYNMIUDF-IJLUTSLNSA-N 2 0 282.388 -0.513 20 0 CBADRP COC[C@]1(CNC(=O)N2CC[NH2+][C@@H](C)C2)CCC[NH2+]1 ZINC000567362513 354786650 /nfs/dbraw/zinc/78/66/50/354786650.db2.gz DEIYDJGVWGKHOG-WCQYABFASA-N 2 0 270.377 -0.242 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000565302722 354735671 /nfs/dbraw/zinc/73/56/71/354735671.db2.gz NHYQZVJOHWHOPW-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000565373129 354737214 /nfs/dbraw/zinc/73/72/14/354737214.db2.gz NKZFOOOVADLCAL-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP COCC[NH2+]C1CCN(CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000565487614 354739850 /nfs/dbraw/zinc/73/98/50/354739850.db2.gz YICZLSKOJMKTDH-UHFFFAOYSA-N 2 0 298.431 -0.491 20 0 CBADRP COC[C@@H](O)C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000565712556 354743971 /nfs/dbraw/zinc/74/39/71/354743971.db2.gz RQVWFKKWZKGHHR-ZDUSSCGKSA-N 2 0 259.394 -0.391 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000567817159 354799028 /nfs/dbraw/zinc/79/90/28/354799028.db2.gz UUTWASZUDMCZLK-MNOVXSKESA-N 2 0 253.346 -0.567 20 0 CBADRP CC1(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[NH2+]CC1 ZINC000567838977 354801015 /nfs/dbraw/zinc/80/10/15/354801015.db2.gz DFEIRTQWXLPGBN-MNOVXSKESA-N 2 0 255.362 -0.001 20 0 CBADRP CC[C@H](C[C@@H](C)CO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000567873084 354801494 /nfs/dbraw/zinc/80/14/94/354801494.db2.gz MTIPWDGVAHOOHZ-RBSFLKMASA-N 2 0 287.448 -0.019 20 0 CBADRP C[N@H+](C[C@@H](O)CNC[C@H]1CCCC[NH+]1CCO)C1CC1 ZINC000567872825 354802011 /nfs/dbraw/zinc/80/20/11/354802011.db2.gz IBHAWZXRWAWCNR-CABCVRRESA-N 2 0 285.432 -0.122 20 0 CBADRP c1cncc([C@@H]2C[NH2+]CCN2CCN2CC[NH2+]CC2)c1 ZINC000567889249 354802945 /nfs/dbraw/zinc/80/29/45/354802945.db2.gz FSFGCOJNELDZIQ-HNNXBMFYSA-N 2 0 275.400 -0.067 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000567911007 354805135 /nfs/dbraw/zinc/80/51/35/354805135.db2.gz LCDOEWULLNEYEJ-UTUOFQBUSA-N 2 0 255.362 -0.036 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000567983179 354807103 /nfs/dbraw/zinc/80/71/03/354807103.db2.gz WPKAPSYQGFXCRE-BETUJISGSA-N 2 0 268.405 -0.133 20 0 CBADRP C[C@@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)C[NH+]1CCN(C)CC1 ZINC000568095065 354810526 /nfs/dbraw/zinc/81/05/26/354810526.db2.gz XSLBHLANEMVKAJ-GUTXKFCHSA-N 2 0 280.416 -0.262 20 0 CBADRP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(=O)n(C)c1=O ZINC000568268959 354819046 /nfs/dbraw/zinc/81/90/46/354819046.db2.gz QLAHIBPZBVEIBE-OAHLLOKOSA-N 2 0 292.383 -0.341 20 0 CBADRP C[C@]1(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CCC[NH2+]C1 ZINC000568265724 354819150 /nfs/dbraw/zinc/81/91/50/354819150.db2.gz LMYHAVZODZBDOC-MDZLAQPJSA-N 2 0 255.362 -0.001 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000568292728 354820135 /nfs/dbraw/zinc/82/01/35/354820135.db2.gz ULUICGXZCKTQMZ-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CCO1 ZINC000568270901 354820679 /nfs/dbraw/zinc/82/06/79/354820679.db2.gz FSWBBZVPAPIPTF-ZIAGYGMSSA-N 2 0 275.352 -0.113 20 0 CBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000568293820 354821155 /nfs/dbraw/zinc/82/11/55/354821155.db2.gz GCKQQEDUIWQFOG-KGLIPLIRSA-N 2 0 297.447 -0.079 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000568374665 354822278 /nfs/dbraw/zinc/82/22/78/354822278.db2.gz VEBOWDBLNDEAJC-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000568388455 354822843 /nfs/dbraw/zinc/82/28/43/354822843.db2.gz YVWJCLAOIJZOTN-QWHCGFSZSA-N 2 0 266.389 -0.365 20 0 CBADRP C[NH2+]C[C@@](C)(O)CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000568401158 354823329 /nfs/dbraw/zinc/82/33/29/354823329.db2.gz FLBQUAMWIGKDPO-OAHLLOKOSA-N 2 0 298.431 -0.803 20 0 CBADRP C[C@H]1CN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC[NH2+]1 ZINC000568391624 354823593 /nfs/dbraw/zinc/82/35/93/354823593.db2.gz HKUHWRCKJCNLGX-RYUDHWBXSA-N 2 0 254.378 -0.523 20 0 CBADRP CO[C@@H]1CC[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000568619714 354827147 /nfs/dbraw/zinc/82/71/47/354827147.db2.gz FYVXSCZBCSPAOZ-HZSPNIEDSA-N 2 0 271.405 -0.248 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000568750018 354830557 /nfs/dbraw/zinc/83/05/57/354830557.db2.gz RNHXUNLXXQPTME-MGPQQGTHSA-N 3 0 280.416 -0.275 20 0 CBADRP [NH3+]C1(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC1 ZINC000568763256 354831545 /nfs/dbraw/zinc/83/15/45/354831545.db2.gz NROJEPPKYSOEDE-UHFFFAOYSA-N 2 0 266.389 -0.190 20 0 CBADRP CO[C@@H]([C@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C1CC1 ZINC000567695989 354794735 /nfs/dbraw/zinc/79/47/35/354794735.db2.gz LZZVQIMRBJRRPI-CFVMTHIKSA-N 2 0 285.432 -0.002 20 0 CBADRP CCOC[C@H](O)C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000567694058 354794776 /nfs/dbraw/zinc/79/47/76/354794776.db2.gz GWJABLXLBPPJDZ-CQSZACIVSA-N 2 0 273.421 -0.001 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)NCCNc1cc[nH+]cc1 ZINC000567786908 354797414 /nfs/dbraw/zinc/79/74/14/354797414.db2.gz UHBHVTAWQLQWPK-LBPRGKRZSA-N 2 0 264.329 -0.590 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000570666011 354867331 /nfs/dbraw/zinc/86/73/31/354867331.db2.gz SKXKQVNUPRVBTN-NEPJUHHUSA-N 2 0 270.377 -0.242 20 0 CBADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000570715654 354867992 /nfs/dbraw/zinc/86/79/92/354867992.db2.gz LYCCKGUZOPGZDA-IPYPFGDCSA-N 2 0 278.400 -0.508 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000570799290 354869449 /nfs/dbraw/zinc/86/94/49/354869449.db2.gz LGQDKBPYYXGIOE-QWRGUYRKSA-N 2 0 260.382 -0.010 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000570799289 354869644 /nfs/dbraw/zinc/86/96/44/354869644.db2.gz LGQDKBPYYXGIOE-MNOVXSKESA-N 2 0 260.382 -0.010 20 0 CBADRP C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)N1CC[NH2+]CC1 ZINC000570931189 354872730 /nfs/dbraw/zinc/87/27/30/354872730.db2.gz GEHVDIIHYVETAJ-UHFFFAOYSA-N 3 0 296.459 -0.064 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000570961879 354873691 /nfs/dbraw/zinc/87/36/91/354873691.db2.gz BYJSCOIPWPDLCR-TUAOUCFPSA-N 2 0 282.388 -0.512 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)C(F)F ZINC000571046495 354875831 /nfs/dbraw/zinc/87/58/31/354875831.db2.gz KKKJZUDTJRXQPA-PRJMDXOYSA-N 2 0 251.277 -0.409 20 0 CBADRP C[C@H]1C[N@H+](CCC(=O)N2CCN(C)CC2)CC[C@H]1[NH3+] ZINC000571047365 354876065 /nfs/dbraw/zinc/87/60/65/354876065.db2.gz VAFLOCMOXHSTNJ-QWHCGFSZSA-N 3 0 268.405 -0.180 20 0 CBADRP C[C@@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[C@H](C)[NH3+] ZINC000571676004 354877797 /nfs/dbraw/zinc/87/77/97/354877797.db2.gz DXTWHYJMWCFGCP-WOPDTQHZSA-N 2 0 254.378 -0.524 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000571678522 354877816 /nfs/dbraw/zinc/87/78/16/354877816.db2.gz RCCQXWDGFWQZLN-GUBZILKMSA-N 2 0 257.334 -0.524 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000571683550 354878034 /nfs/dbraw/zinc/87/80/34/354878034.db2.gz TXDTVTFFLPGQFA-KXUCPTDWSA-N 2 0 294.321 -0.324 20 0 CBADRP C[NH+](C)CCOc1cnccc1C[NH2+]CCC(N)=O ZINC000569111906 354838259 /nfs/dbraw/zinc/83/82/59/354838259.db2.gz DGZHCBSNWREJFF-UHFFFAOYSA-N 2 0 266.345 -0.013 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000569220554 354840294 /nfs/dbraw/zinc/84/02/94/354840294.db2.gz RSHCMSQZOHVDLE-RYUDHWBXSA-N 2 0 292.387 -0.146 20 0 CBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H]2C[NH2+]CCO2)C1(C)C ZINC000569240490 354841223 /nfs/dbraw/zinc/84/12/23/354841223.db2.gz DSDNMYDPCGGJSK-JTNHKYCSSA-N 2 0 285.388 -0.377 20 0 CBADRP COCCNC(=O)CN1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000569726356 354845411 /nfs/dbraw/zinc/84/54/11/354845411.db2.gz KYBPBXJAPBSARO-AWEZNQCLSA-N 2 0 298.431 -0.634 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000569821687 354847295 /nfs/dbraw/zinc/84/72/95/354847295.db2.gz IHQZEVWIQLQANE-URBCHYCLSA-N 2 0 284.404 -0.411 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC[NH2+]1 ZINC000569833904 354847318 /nfs/dbraw/zinc/84/73/18/354847318.db2.gz HWTOBPCYSSCLOQ-CHWSQXEVSA-N 2 0 294.399 -0.497 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000569844851 354848076 /nfs/dbraw/zinc/84/80/76/354848076.db2.gz BVAFHRZNSLBNNL-QWHCGFSZSA-N 2 0 296.415 -0.003 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000569969922 354851243 /nfs/dbraw/zinc/85/12/43/354851243.db2.gz NWTMXWIBFAPSIC-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000569969926 354851270 /nfs/dbraw/zinc/85/12/70/354851270.db2.gz NWTMXWIBFAPSIC-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)COC1CC[NH2+]CC1 ZINC000570041243 354852752 /nfs/dbraw/zinc/85/27/52/354852752.db2.gz PESFZDMYGVFCBA-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1CC1CC[NH2+]CC1 ZINC000570089052 354853804 /nfs/dbraw/zinc/85/38/04/354853804.db2.gz VFYZSIWZSVGKMR-ZDUSSCGKSA-N 2 0 266.345 -0.340 20 0 CBADRP O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1CC1CC[NH2+]CC1 ZINC000570089047 354853852 /nfs/dbraw/zinc/85/38/52/354853852.db2.gz VFYZSIWZSVGKMR-CYBMUJFWSA-N 2 0 266.345 -0.340 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000571762754 354878857 /nfs/dbraw/zinc/87/88/57/354878857.db2.gz KUBREEMTWORYFJ-QWHCGFSZSA-N 3 0 268.405 -0.227 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000571762749 354878871 /nfs/dbraw/zinc/87/88/71/354878871.db2.gz KUBREEMTWORYFJ-OLZOCXBDSA-N 3 0 268.405 -0.227 20 0 CBADRP C[C@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[NH+]1CC(C)C1 ZINC000570223177 354857578 /nfs/dbraw/zinc/85/75/78/354857578.db2.gz NWUPGBHEUQDRMZ-CYBMUJFWSA-N 2 0 296.415 -0.441 20 0 CBADRP CN1CCN(C(=O)NCC[N@H+](C)C2CC2)[C@H](C[NH3+])C1 ZINC000570424683 354861220 /nfs/dbraw/zinc/86/12/20/354861220.db2.gz GENXVEILAASDBI-GFCCVEGCSA-N 3 0 269.393 -0.635 20 0 CBADRP C[C@@H](CN(C)C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000570509892 354862847 /nfs/dbraw/zinc/86/28/47/354862847.db2.gz LFBTUADWSQXRHV-STQMWFEESA-N 2 0 258.410 -0.866 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000571778520 354879936 /nfs/dbraw/zinc/87/99/36/354879936.db2.gz MKWXPCDPBYTUOH-CMPLNLGQSA-N 2 0 282.388 -0.608 20 0 CBADRP CC[N@@H+]1CCN(C[C@@H](O)C[NH+](C)CCOC)[C@@H](C)C1 ZINC000570580457 354864923 /nfs/dbraw/zinc/86/49/23/354864923.db2.gz XDUBJHRCGKKYAA-KBPBESRZSA-N 2 0 273.421 -0.049 20 0 CBADRP CNS(=O)(=O)[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000570632618 354866127 /nfs/dbraw/zinc/86/61/27/354866127.db2.gz UXKPXZDDUZMSFU-GFCCVEGCSA-N 2 0 275.418 0.000 20 0 CBADRP C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000570630575 354866153 /nfs/dbraw/zinc/86/61/53/354866153.db2.gz BSRXFFKAPPIFTQ-LBPRGKRZSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000572117717 354885962 /nfs/dbraw/zinc/88/59/62/354885962.db2.gz LDILYSHPMWWDGC-RWMBFGLXSA-N 2 0 296.415 -0.170 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000572117308 354886126 /nfs/dbraw/zinc/88/61/26/354886126.db2.gz AXNWUNRXKCCOSN-LLVKDONJSA-N 2 0 271.361 -0.181 20 0 CBADRP C[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C(=O)NCC[NH+](C)C ZINC000572133541 354887209 /nfs/dbraw/zinc/88/72/09/354887209.db2.gz FPEZXMZQENQZBB-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP CN1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)[C@H](C[NH3+])C1 ZINC000572134356 354887395 /nfs/dbraw/zinc/88/73/95/354887395.db2.gz HCCZGQYZFGFYDZ-VXGBXAGGSA-N 2 0 269.393 -0.635 20 0 CBADRP CC[S@](=O)CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000572332896 354890805 /nfs/dbraw/zinc/89/08/05/354890805.db2.gz GLDBLZNILWULNX-SFHVURJKSA-N 2 0 277.434 -0.293 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000572728260 354896251 /nfs/dbraw/zinc/89/62/51/354896251.db2.gz GMDAFCQMBFPHCV-NSHDSACASA-N 2 0 272.393 -0.009 20 0 CBADRP C[C@H](C[NH3+])C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000572750281 354897044 /nfs/dbraw/zinc/89/70/44/354897044.db2.gz AVHWIOXSMDPTMF-BDAKNGLRSA-N 2 0 282.310 -0.467 20 0 CBADRP C[C@]1(CNC(=O)NCC(=O)N2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000572976857 354901764 /nfs/dbraw/zinc/90/17/64/354901764.db2.gz HUWKKYJHRIXUGT-AWEZNQCLSA-N 2 0 297.403 -0.893 20 0 CBADRP c1cnc(N[C@H]2CC[N@@H+](CCN3CC[NH2+]CC3)C2)nc1 ZINC000573091740 354905163 /nfs/dbraw/zinc/90/51/63/354905163.db2.gz UEOWWXOHOYCYMR-ZDUSSCGKSA-N 2 0 276.388 -0.132 20 0 CBADRP [NH3+][C@H](C(=O)NCC[C@H]1CCC[NH2+]1)C1CCOCC1 ZINC000573117672 354905690 /nfs/dbraw/zinc/90/56/90/354905690.db2.gz LSZBIHDTJJXMSY-NEPJUHHUSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)CCCO1 ZINC000573119332 354905738 /nfs/dbraw/zinc/90/57/38/354905738.db2.gz OILDNEXSXPVGBM-NEPJUHHUSA-N 2 0 271.361 -0.669 20 0 CBADRP [NH3+]C[C@H](NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C1CC1 ZINC000573204576 354906640 /nfs/dbraw/zinc/90/66/40/354906640.db2.gz BZTANVKZDKFRTR-QWRGUYRKSA-N 2 0 278.360 -0.503 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)nn1 ZINC000573221694 354907665 /nfs/dbraw/zinc/90/76/65/354907665.db2.gz MIJJCZSSAWWVMO-NSHDSACASA-N 2 0 280.376 -0.126 20 0 CBADRP COC(=O)[C@@H]1CN(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000573220104 354907893 /nfs/dbraw/zinc/90/78/93/354907893.db2.gz YBUJLXSTYAOMHD-QWHCGFSZSA-N 2 0 297.399 -0.109 20 0 CBADRP C([C@H]1CCC[NH2+]C1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000573248728 354909341 /nfs/dbraw/zinc/90/93/41/354909341.db2.gz GLHNWZBGPQKABF-KBPBESRZSA-N 2 0 252.406 -0.035 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)NCC[C@H]2CCC[NH2+]2)nn1 ZINC000573486354 354914036 /nfs/dbraw/zinc/91/40/36/354914036.db2.gz QPHQFYMAQLAYPC-LLVKDONJSA-N 2 0 280.376 -0.111 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000571789812 354880372 /nfs/dbraw/zinc/88/03/72/354880372.db2.gz PVQBDQVMIUNLEQ-UWVGGRQHSA-N 2 0 266.349 -0.645 20 0 CBADRP C[NH2+]CCCC(=O)NC[C@@H]1CCCN(CC(=O)OC)C1 ZINC000571879181 354881949 /nfs/dbraw/zinc/88/19/49/354881949.db2.gz IUFGGXIECOHTBQ-LBPRGKRZSA-N 2 0 285.388 -0.013 20 0 CBADRP C[NH2+]CCCC(=O)NC[C@H]1CCCN(CC(=O)OC)C1 ZINC000571879180 354882086 /nfs/dbraw/zinc/88/20/86/354882086.db2.gz IUFGGXIECOHTBQ-GFCCVEGCSA-N 2 0 285.388 -0.013 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000571882590 354882467 /nfs/dbraw/zinc/88/24/67/354882467.db2.gz LMOLADRPHLGOBV-VXGBXAGGSA-N 2 0 255.362 -0.048 20 0 CBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000573723969 354919584 /nfs/dbraw/zinc/91/95/84/354919584.db2.gz JCRHQOGNYLBGNH-WOPDTQHZSA-N 2 0 284.404 -0.327 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000573864606 354924384 /nfs/dbraw/zinc/92/43/84/354924384.db2.gz RNMUARUDDYYJMU-DCAQKATOSA-N 2 0 280.372 -0.794 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000575123746 354934539 /nfs/dbraw/zinc/93/45/39/354934539.db2.gz WMCSRPXKRNYOOJ-BJDJZHNGSA-N 2 0 296.415 -0.030 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000577621386 354938359 /nfs/dbraw/zinc/93/83/59/354938359.db2.gz ARIRHVQDMUXMFW-AWEZNQCLSA-N 2 0 267.373 -0.033 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000578130615 354939128 /nfs/dbraw/zinc/93/91/28/354939128.db2.gz SUQYPMVKEHGUBF-RYUDHWBXSA-N 2 0 254.378 -0.380 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)[C@H]1C ZINC000578490142 354946350 /nfs/dbraw/zinc/94/63/50/354946350.db2.gz NVPDUGFIBJAVPV-SRVKXCTJSA-N 2 0 269.393 -0.718 20 0 CBADRP O=C(NC[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000578770315 354954290 /nfs/dbraw/zinc/95/42/90/354954290.db2.gz PLAKQIFFFYOSNP-AVGNSLFASA-N 2 0 294.399 -0.545 20 0 CBADRP COC[C@@]1(CNC(=O)C[NH2+]CC2CC2)CCC[NH2+]1 ZINC000578866245 354956657 /nfs/dbraw/zinc/95/66/57/354956657.db2.gz LKQQQBKVSZUGFK-ZDUSSCGKSA-N 2 0 255.362 -0.129 20 0 CBADRP COC[C@@]1(C(=O)NCCCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000578885688 354957026 /nfs/dbraw/zinc/95/70/26/354957026.db2.gz HIHMXASEWUVONO-OAHLLOKOSA-N 2 0 299.415 -0.159 20 0 CBADRP CCC[NH2+][C@@H](C)C(=O)NCCCN1CC[NH2+]CC1 ZINC000578888216 354957503 /nfs/dbraw/zinc/95/75/03/354957503.db2.gz WMMKHKNPCZNFCO-LBPRGKRZSA-N 2 0 256.394 -0.214 20 0 CBADRP COC[C@]1(C(=O)N[C@H](CC[NH3+])C(F)F)CC[NH2+]C1 ZINC000578890096 354957598 /nfs/dbraw/zinc/95/75/98/354957598.db2.gz GBUPHPVIQRXCGW-KCJUWKMLSA-N 2 0 265.304 -0.289 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000579109885 354962125 /nfs/dbraw/zinc/96/21/25/354962125.db2.gz SZNWUMKFJBIFFB-XQQFMLRXSA-N 2 0 294.399 -0.783 20 0 CBADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000579122739 354962916 /nfs/dbraw/zinc/96/29/16/354962916.db2.gz KTXVMFDBACACNZ-CHWSQXEVSA-N 2 0 268.405 -0.180 20 0 CBADRP O=C(CCOC1C[NH2+]C1)NCC[N@H+]1CC=CCC1 ZINC000579120629 354963259 /nfs/dbraw/zinc/96/32/59/354963259.db2.gz JZMJLSOBQPJDLQ-UHFFFAOYSA-N 2 0 253.346 -0.257 20 0 CBADRP COC[C@@]1(CNC(=O)C[NH2+]C[C@H]2CCCO2)CCC[NH2+]1 ZINC000579464296 354970366 /nfs/dbraw/zinc/97/03/66/354970366.db2.gz JWPXDCTUVFLONC-OCCSQVGLSA-N 2 0 285.388 -0.360 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)N2CCN(C)CC2)C1 ZINC000579474796 354971411 /nfs/dbraw/zinc/97/14/11/354971411.db2.gz OCUFXJGLPCQNLE-VXGBXAGGSA-N 2 0 254.378 -0.557 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000579492987 354972585 /nfs/dbraw/zinc/97/25/85/354972585.db2.gz WPCHVFXZNFYNBL-RNJOBUHISA-N 2 0 269.389 -0.008 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000579692526 354977037 /nfs/dbraw/zinc/97/70/37/354977037.db2.gz GAGOHXHEUXZHLD-JQWIXIFHSA-N 2 0 280.372 -0.983 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C[C@H]1[NH3+] ZINC000579816282 354980192 /nfs/dbraw/zinc/98/01/92/354980192.db2.gz MZKDOZOUTTZUQW-FPQZTECRSA-N 2 0 294.399 -0.609 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000579837772 354980919 /nfs/dbraw/zinc/98/09/19/354980919.db2.gz QAAVIQPWEPUQCG-OCCSQVGLSA-N 2 0 292.383 -0.098 20 0 CBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000579837488 354981161 /nfs/dbraw/zinc/98/11/61/354981161.db2.gz FNOWHRBIGLXMLE-ZJUUUORDSA-N 2 0 258.366 -0.752 20 0 CBADRP COCCn1cc(CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000579853676 354981659 /nfs/dbraw/zinc/98/16/59/354981659.db2.gz ZCOHIWPCGKGCRQ-OLZOCXBDSA-N 2 0 293.371 -0.727 20 0 CBADRP COCCn1cc(CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn1 ZINC000579853677 354981917 /nfs/dbraw/zinc/98/19/17/354981917.db2.gz ZCOHIWPCGKGCRQ-QWHCGFSZSA-N 2 0 293.371 -0.727 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CCO)[C@H](C)C1 ZINC000579854652 354982417 /nfs/dbraw/zinc/98/24/17/354982417.db2.gz HPUGAPUUDKFKCR-OLZOCXBDSA-N 2 0 259.394 -0.703 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000580098022 354989109 /nfs/dbraw/zinc/98/91/09/354989109.db2.gz WTZBHCZQZJRXMY-AVGNSLFASA-N 2 0 294.399 -0.593 20 0 CBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CCN2C1=O ZINC000580214133 354990629 /nfs/dbraw/zinc/99/06/29/354990629.db2.gz LIIPCVHFLXKQMK-MCYUEQNJSA-N 2 0 292.383 -0.854 20 0 CBADRP Cn1cc(OCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000580218855 354991629 /nfs/dbraw/zinc/99/16/29/354991629.db2.gz AQECNDMUUUPGDV-UHFFFAOYSA-N 2 0 297.403 -0.249 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@@H](C[NH3+])C1 ZINC000580299702 354991682 /nfs/dbraw/zinc/99/16/82/354991682.db2.gz DHRGMMDAFRKWAC-BFHYXJOUSA-N 2 0 295.431 -0.103 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)CC1CC[NH2+]CC1 ZINC000580773350 354997857 /nfs/dbraw/zinc/99/78/57/354997857.db2.gz JORJVZANFWWPRG-LBPRGKRZSA-N 2 0 254.378 -0.604 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](C[C@H](C)O)CC1 ZINC000580841336 354999702 /nfs/dbraw/zinc/99/97/02/354999702.db2.gz MTJKNXBBDVVLKV-STQMWFEESA-N 2 0 259.394 -0.703 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000580942128 355001755 /nfs/dbraw/zinc/00/17/55/355001755.db2.gz LFNAFGHGZAABIT-MWLCHTKSSA-N 2 0 268.361 -0.937 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000584541288 355032039 /nfs/dbraw/zinc/03/20/39/355032039.db2.gz BSGDRHJQBSANGL-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000584598419 355032714 /nfs/dbraw/zinc/03/27/14/355032714.db2.gz HUMQPZCFQJHFTF-KBPBESRZSA-N 3 0 298.431 -0.458 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000584720036 355035865 /nfs/dbraw/zinc/03/58/65/355035865.db2.gz DCUPSOAUXCICNS-LBPRGKRZSA-N 2 0 291.417 -0.538 20 0 CBADRP C[C@@H]1CN(C(=O)COC2CC[NH2+]CC2)C[C@@H](C)[NH2+]1 ZINC000584779070 355037239 /nfs/dbraw/zinc/03/72/39/355037239.db2.gz OTWWVTVNNHDHNZ-GHMZBOCLSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000582062769 355006485 /nfs/dbraw/zinc/00/64/85/355006485.db2.gz AINZPYZNBHPWGY-RVMXOQNASA-N 2 0 296.415 -0.029 20 0 CBADRP CC[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[NH+](CC)CC ZINC000582073419 355007569 /nfs/dbraw/zinc/00/75/69/355007569.db2.gz CYCLILNOYQRRDE-YNEHKIRRSA-N 2 0 296.415 -0.123 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000582074287 355007809 /nfs/dbraw/zinc/00/78/09/355007809.db2.gz NXSGZAWLUHYMPL-LBPRGKRZSA-N 2 0 284.404 -0.358 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000582240780 355012027 /nfs/dbraw/zinc/01/20/27/355012027.db2.gz LTFBQRKKAOPRAX-NRWJCBQCSA-N 2 0 279.384 -0.147 20 0 CBADRP C[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000582296076 355013223 /nfs/dbraw/zinc/01/32/23/355013223.db2.gz ODFNSKWFGHEMDZ-SDDRHHMPSA-N 2 0 255.362 -0.131 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)CCOC2C[NH2+]C2)C1 ZINC000582600928 355017065 /nfs/dbraw/zinc/01/70/65/355017065.db2.gz JGZTZCAOSHZUEH-WDEREUQCSA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000583629865 355021332 /nfs/dbraw/zinc/02/13/32/355021332.db2.gz ONWPTAZWYUQFOZ-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP CCCN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000583679338 355022489 /nfs/dbraw/zinc/02/24/89/355022489.db2.gz LCUJILBWNMFEDM-UHFFFAOYSA-N 2 0 286.420 -0.193 20 0 CBADRP O=C(NCC[N@H+]1CC=CCC1)NC[C@H]1C[NH2+]CCO1 ZINC000583683420 355022632 /nfs/dbraw/zinc/02/26/32/355022632.db2.gz QYUYIDHPCNSELF-GFCCVEGCSA-N 2 0 268.361 -0.464 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC(C)(C)C(C)(C)O)CC1 ZINC000583930327 355025562 /nfs/dbraw/zinc/02/55/62/355025562.db2.gz ZTUOTVLMVUGXPQ-CYBMUJFWSA-N 2 0 287.448 -0.019 20 0 CBADRP C[C@@H]1CN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC000584054130 355028553 /nfs/dbraw/zinc/02/85/53/355028553.db2.gz HJTXUQBDSDKSJZ-GFCCVEGCSA-N 2 0 277.372 -0.218 20 0 CBADRP C[C@H]([NH2+]CCC(=O)NC(N)=O)C1CC[NH+](C)CC1 ZINC000591739740 355111771 /nfs/dbraw/zinc/11/17/71/355111771.db2.gz XBBOSGVAPGEKKU-VIFPVBQESA-N 2 0 256.350 -0.109 20 0 CBADRP CSC[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000591734983 355112323 /nfs/dbraw/zinc/11/23/23/355112323.db2.gz FYAOQXGFEHITEZ-NEPJUHHUSA-N 2 0 289.445 -0.113 20 0 CBADRP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000591427683 355095612 /nfs/dbraw/zinc/09/56/12/355095612.db2.gz JSEFJGIDXHNKLH-GFCCVEGCSA-N 2 0 282.388 -0.830 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000592551536 355161730 /nfs/dbraw/zinc/16/17/30/355161730.db2.gz FSHRDOUABRHYHU-WDEREUQCSA-N 2 0 269.345 -0.651 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000592554495 355162782 /nfs/dbraw/zinc/16/27/82/355162782.db2.gz MVLUBHRFURLTGD-COPLHBTASA-N 2 0 281.356 -0.651 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000592557266 355163656 /nfs/dbraw/zinc/16/36/56/355163656.db2.gz XTMRDONZUBNDSQ-NWDGAFQWSA-N 2 0 283.372 -0.260 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CCCC[NH3+] ZINC000592555187 355163811 /nfs/dbraw/zinc/16/38/11/355163811.db2.gz PLMJVUKESIDEGT-SNVBAGLBSA-N 2 0 257.334 -0.521 20 0 CBADRP C[NH+]1CCC2(CC1)C[N@H+](CCC(=O)NC(N)=O)CCO2 ZINC000592183767 355136454 /nfs/dbraw/zinc/13/64/54/355136454.db2.gz WTPNQBVWRKHIMC-UHFFFAOYSA-N 2 0 284.360 -0.632 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000592264406 355145790 /nfs/dbraw/zinc/14/57/90/355145790.db2.gz UJORJWCISKUOPU-UWVGGRQHSA-N 2 0 257.334 -0.667 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000592471045 355155602 /nfs/dbraw/zinc/15/56/02/355155602.db2.gz KNWORFDVUTWENP-GARJFASQSA-N 2 0 271.361 -0.147 20 0 CBADRP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+](C)C1 ZINC000592806011 355172599 /nfs/dbraw/zinc/17/25/99/355172599.db2.gz GWUXHCNPCRHNJT-FRRDWIJNSA-N 2 0 297.399 -0.110 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000592964076 355187540 /nfs/dbraw/zinc/18/75/40/355187540.db2.gz NXEOYQBTBFASBO-LLVKDONJSA-N 2 0 271.361 -0.308 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H](C)[NH+](C)C ZINC000592962664 355187722 /nfs/dbraw/zinc/18/77/22/355187722.db2.gz GUZNRPVOUULTJF-VHSXEESVSA-N 2 0 257.334 -0.700 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C1CC[NH+](C)CC1 ZINC000592962451 355187762 /nfs/dbraw/zinc/18/77/62/355187762.db2.gz GDAGZEADUFJNAG-LBPRGKRZSA-N 2 0 283.372 -0.308 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000592959341 355187956 /nfs/dbraw/zinc/18/79/56/355187956.db2.gz SCLAPRLIVDKTGS-ONGXEEELSA-N 2 0 271.361 -0.277 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]([NH3+])CCSC)C[C@H]1C[NH3+] ZINC000593914180 355229989 /nfs/dbraw/zinc/22/99/89/355229989.db2.gz AJXMCDOVKSXPEM-OUAUKWLOSA-N 2 0 275.418 -0.111 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CC[NH2+]C1CC1 ZINC000594444858 355248658 /nfs/dbraw/zinc/24/86/58/355248658.db2.gz ZMWXERZMRZGMKO-LLVKDONJSA-N 2 0 269.345 -0.508 20 0 CBADRP NC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000593728680 355217724 /nfs/dbraw/zinc/21/77/24/355217724.db2.gz CHUGURCVTJGPRM-MXWKQRLJSA-N 2 0 284.360 -0.458 20 0 CBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)C3([NH3+])CCCC3)CCN2C1=O ZINC000594873870 355265938 /nfs/dbraw/zinc/26/59/38/355265938.db2.gz OQILBKZJZIJWAL-UWVGGRQHSA-N 2 0 266.345 -0.972 20 0 CBADRP CC(C)([NH3+])CCC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594873945 355266044 /nfs/dbraw/zinc/26/60/44/355266044.db2.gz WEQLJNHWHXUFET-VHSXEESVSA-N 2 0 268.361 -0.726 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC[N@@H+]1C ZINC000594877966 355266749 /nfs/dbraw/zinc/26/67/49/355266749.db2.gz ITOWAGBRVOUPGX-KKOKHZNYSA-N 2 0 280.372 -0.903 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594877940 355267169 /nfs/dbraw/zinc/26/71/69/355267169.db2.gz FMMXIXFFOGTEPZ-WHOHXGKFSA-N 2 0 280.372 -0.855 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH2+]3)CCN2C1=O ZINC000594879716 355267775 /nfs/dbraw/zinc/26/77/75/355267775.db2.gz KZPCEBNSQMQTJC-QJPTWQEYSA-N 2 0 280.372 -0.711 20 0 CBADRP CCC(CC)(C[NH3+])C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594879701 355268050 /nfs/dbraw/zinc/26/80/50/355268050.db2.gz JUABFKROHFQQMV-WDEREUQCSA-N 2 0 282.388 -0.478 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000594879715 355268089 /nfs/dbraw/zinc/26/80/89/355268089.db2.gz KZPCEBNSQMQTJC-IJLUTSLNSA-N 2 0 280.372 -0.711 20 0 CBADRP COC(=O)[C@H]1C[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000595905575 355317631 /nfs/dbraw/zinc/31/76/31/355317631.db2.gz VTQOBFYAAWCBAV-TXEJJXNPSA-N 2 0 255.362 -0.225 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)OC)C1 ZINC000595944527 355324423 /nfs/dbraw/zinc/32/44/23/355324423.db2.gz MDEGUYFSPSDXFE-QWRGUYRKSA-N 2 0 271.361 -0.133 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CCC[NH2+]CC3)CCN2C1=O ZINC000595264543 355276112 /nfs/dbraw/zinc/27/61/12/355276112.db2.gz BNNJQJHDANKRKU-GRYCIOLGSA-N 2 0 295.387 -0.918 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@H]3CCC[NH2+]CC3)CCN2C1=O ZINC000595264546 355276393 /nfs/dbraw/zinc/27/63/93/355276393.db2.gz BNNJQJHDANKRKU-SDDRHHMPSA-N 2 0 295.387 -0.918 20 0 CBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CCN2C1=O ZINC000595266077 355276587 /nfs/dbraw/zinc/27/65/87/355276587.db2.gz YYLLRKWOBMPCSW-KXNHARMFSA-N 2 0 295.387 -0.790 20 0 CBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NCC3([NH3+])CCCC3)CCN2C1=O ZINC000595270843 355277035 /nfs/dbraw/zinc/27/70/35/355277035.db2.gz MMYZJOGZIZYCSC-QWRGUYRKSA-N 2 0 295.387 -0.789 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595274626 355278111 /nfs/dbraw/zinc/27/81/11/355278111.db2.gz YLLATUAXQJXFLG-IJLUTSLNSA-N 2 0 297.403 -0.687 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000596106137 355344086 /nfs/dbraw/zinc/34/40/86/355344086.db2.gz PQPNPZLXTRWLCL-LPWJVIDDSA-N 3 0 266.389 -0.524 20 0 CBADRP CSC1(CNc2nc(N)[nH+]c(N)n2)CC[NH+](C)CC1 ZINC000599084328 355462584 /nfs/dbraw/zinc/46/25/84/355462584.db2.gz APYHSFMPZGIIKN-UHFFFAOYSA-N 2 0 283.405 -0.642 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[NH2+]1 ZINC000599933398 355519097 /nfs/dbraw/zinc/51/90/97/355519097.db2.gz JECKMRUBDXVTBH-WRWGMCAJSA-N 2 0 295.387 -0.920 20 0 CBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000599941395 355519819 /nfs/dbraw/zinc/51/98/19/355519819.db2.gz ZLJRZGFVRMQBCF-KGLIPLIRSA-N 2 0 295.431 -0.230 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000599936618 355519953 /nfs/dbraw/zinc/51/99/53/355519953.db2.gz YICVVANITBOGQS-SRVKXCTJSA-N 2 0 295.387 -0.966 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)NC(=O)NC(C)C ZINC000600730874 355563167 /nfs/dbraw/zinc/56/31/67/355563167.db2.gz NTKUDBBUECHQMD-LLVKDONJSA-N 2 0 288.392 -0.223 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])CCC2)C[N@@H+]1C1CC1 ZINC000419324558 291069325 /nfs/dbraw/zinc/06/93/25/291069325.db2.gz VRQAZFBAGZQEMT-WDEREUQCSA-N 2 0 294.399 -0.275 20 0 CBADRP C[C@@H]1CN(C(=O)C2([S@](C)=O)CC[NH2+]CC2)C[C@@H](C)[NH2+]1 ZINC000602435840 355649778 /nfs/dbraw/zinc/64/97/78/355649778.db2.gz VLEYBTLMDYFMIH-BFKGZMGPSA-N 2 0 287.429 -0.304 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000602532569 355658388 /nfs/dbraw/zinc/65/83/88/355658388.db2.gz YJPHNYJJARPEFA-QWRGUYRKSA-N 2 0 271.361 -0.277 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000602532565 355658424 /nfs/dbraw/zinc/65/84/24/355658424.db2.gz YJPHNYJJARPEFA-GHMZBOCLSA-N 2 0 271.361 -0.277 20 0 CBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)[C@]34CCC[C@H]3C[NH2+]C4)CCN2C1=O ZINC000601974060 355623743 /nfs/dbraw/zinc/62/37/43/355623743.db2.gz LIIPCVHFLXKQMK-ASHKBJFXSA-N 2 0 292.383 -0.854 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612881187 355855096 /nfs/dbraw/zinc/85/50/96/355855096.db2.gz ZCWFOJLJXKIHHK-DGCLKSJQSA-N 2 0 269.393 -0.717 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612905295 355855889 /nfs/dbraw/zinc/85/58/89/355855889.db2.gz RSGYBMHIQOQONN-LBPRGKRZSA-N 2 0 258.366 -0.384 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CCCO1 ZINC000612994815 355860365 /nfs/dbraw/zinc/86/03/65/355860365.db2.gz VRJCPBZUSTYJGN-NWDGAFQWSA-N 2 0 282.388 -0.112 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000612995166 355860398 /nfs/dbraw/zinc/86/03/98/355860398.db2.gz WOVSFUVWVFHLER-TUAOUCFPSA-N 2 0 282.388 -0.114 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CCO1 ZINC000612995163 355860425 /nfs/dbraw/zinc/86/04/25/355860425.db2.gz WOVSFUVWVFHLER-QJPTWQEYSA-N 2 0 282.388 -0.114 20 0 CBADRP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000614068452 355933837 /nfs/dbraw/zinc/93/38/37/355933837.db2.gz NJTBZRNDUHZPSQ-GXTWGEPZSA-N 2 0 269.389 -0.004 20 0 CBADRP C[NH+](C)C[C@H](CO)NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000614845385 355988117 /nfs/dbraw/zinc/98/81/17/355988117.db2.gz CNXHBWHGLNXECG-GHMZBOCLSA-N 2 0 275.418 -0.538 20 0 CBADRP C[NH+](C)C[C@@H](CO)NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000614845394 355989515 /nfs/dbraw/zinc/98/95/15/355989515.db2.gz CNXHBWHGLNXECG-WDEREUQCSA-N 2 0 275.418 -0.538 20 0 CBADRP CN(CCC(=O)N[C@H](CO)C[NH+](C)C)c1cc[nH+]cc1 ZINC000614853467 355991983 /nfs/dbraw/zinc/99/19/83/355991983.db2.gz WSOJBIKSZNHPPF-LBPRGKRZSA-N 2 0 280.372 -0.053 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[NH+](C)C ZINC000617752082 356154872 /nfs/dbraw/zinc/15/48/72/356154872.db2.gz JBCVQJAFNYEPTB-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP CN(CC1C[NH+](C)C1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000618191896 356179711 /nfs/dbraw/zinc/17/97/11/356179711.db2.gz WMUJNWUOOIPJCM-CYBMUJFWSA-N 2 0 266.389 -0.604 20 0 CBADRP CCN(C(=O)[C@@H]1C[NH+]2CCN1CCC2)[C@H]1CC[N@H+](C)C1 ZINC000617553679 356141448 /nfs/dbraw/zinc/14/14/48/356141448.db2.gz NXZJSFVEYOIWHC-KBPBESRZSA-N 2 0 280.416 -0.071 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000618305862 356185169 /nfs/dbraw/zinc/18/51/69/356185169.db2.gz KEPACDSOEHOUHE-GFCCVEGCSA-N 2 0 284.404 -0.584 20 0 CBADRP CN1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000621624746 356278102 /nfs/dbraw/zinc/27/81/02/356278102.db2.gz WASYUAJZYYOIEN-OLZOCXBDSA-N 2 0 268.405 -0.133 20 0 CBADRP O=C(CC[C@@H]1CCC[NH2+]C1)NCCN1CC[NH2+]CC1 ZINC000621620863 356278289 /nfs/dbraw/zinc/27/82/89/356278289.db2.gz KIQHAHMTROUXHA-ZDUSSCGKSA-N 2 0 268.405 -0.212 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)nn1 ZINC000621679966 356279954 /nfs/dbraw/zinc/27/99/54/356279954.db2.gz YUSGYBJQTBVZEE-SKDRFNHKSA-N 2 0 264.333 -0.810 20 0 CBADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C[C@@H]1COCC[NH2+]1)C2 ZINC000621683656 356280376 /nfs/dbraw/zinc/28/03/76/356280376.db2.gz YXLCVDYQUCVQEJ-LOWVWBTDSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C[C@H]1COCC[NH2+]1)C2 ZINC000621683655 356280615 /nfs/dbraw/zinc/28/06/15/356280615.db2.gz YXLCVDYQUCVQEJ-GVXVVHGQSA-N 2 0 253.346 -0.295 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621846005 356290431 /nfs/dbraw/zinc/29/04/31/356290431.db2.gz SWAHGPVPLZEWFQ-SWLSCSKDSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)[C@H]3C[NH2+]CCO3)[C@H]2C1 ZINC000424179897 283149023 /nfs/dbraw/zinc/14/90/23/283149023.db2.gz ZLDXBPAYSJFYPM-SDDRHHMPSA-N 2 0 253.346 -0.473 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000622003950 356298805 /nfs/dbraw/zinc/29/88/05/356298805.db2.gz IFMNFOWONKIANZ-NFAWXSAZSA-N 3 0 280.416 -0.003 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000622003949 356298869 /nfs/dbraw/zinc/29/88/69/356298869.db2.gz IFMNFOWONKIANZ-IPYPFGDCSA-N 3 0 280.416 -0.003 20 0 CBADRP Nc1cc[nH+]c2c1CN(c1nc(N)[nH+]c(N)n1)CC2 ZINC000623283480 356359221 /nfs/dbraw/zinc/35/92/21/356359221.db2.gz YJSAQRNWXMXWFW-UHFFFAOYSA-N 2 0 258.289 -0.763 20 0 CBADRP C[NH+](C)[C@H](CNc1nc(N)[nH+]c(N)n1)c1ccco1 ZINC000623797454 356376298 /nfs/dbraw/zinc/37/62/98/356376298.db2.gz UMQYEXQDOLVHGZ-SSDOTTSWSA-N 2 0 263.305 -0.574 20 0 CBADRP Nc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000623800312 356376526 /nfs/dbraw/zinc/37/65/26/356376526.db2.gz DLRRDLPFPLMOHS-NSHDSACASA-N 2 0 285.355 -0.195 20 0 CBADRP C[NH+](C)[C@H](CNc1nc(N)[nH+]c(N)n1)Cc1ccccc1 ZINC000623799710 356376659 /nfs/dbraw/zinc/37/66/59/356376659.db2.gz JUAXPYWTTIKJKY-NSHDSACASA-N 2 0 287.371 -0.297 20 0 CBADRP CCC(CC)[C@H](CNc1nc(N)[nH+]c(N)n1)[NH+](C)C ZINC000623833775 356378087 /nfs/dbraw/zinc/37/80/87/356378087.db2.gz YYNKWFTYOASROL-VIFPVBQESA-N 2 0 267.381 -0.103 20 0 CBADRP C[C@H]1CCCC[N@@H+]1CCNc1nc(N)[nH+]c(N)n1 ZINC000623861451 356379503 /nfs/dbraw/zinc/37/95/03/356379503.db2.gz XYKOSWXRLJPGCX-QMMMGPOBSA-N 2 0 251.338 -0.595 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)Nc1nc(N)[nH+]c(N)n1 ZINC000623852923 356379523 /nfs/dbraw/zinc/37/95/23/356379523.db2.gz FSRHUSWQMTUWBM-MRVPVSSYSA-N 2 0 251.338 -0.595 20 0 CBADRP C[C@@H](CNc1nc(N)[nH+]c(N)n1)[N@@H+]1CCc2ccccc2C1 ZINC000623845485 356379610 /nfs/dbraw/zinc/37/96/10/356379610.db2.gz FZVCOKSGDDNNHG-JTQLQIEISA-N 2 0 299.382 -0.023 20 0 CBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNc2nc(N)[nH+]c(N)n2)C1 ZINC000623864306 356380470 /nfs/dbraw/zinc/38/04/70/356380470.db2.gz LNQJOQWJZBPNNV-NXEZZACHSA-N 2 0 279.392 -0.101 20 0 CBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1nc(N)[nH+]c(N)n1 ZINC000623887404 356381624 /nfs/dbraw/zinc/38/16/24/356381624.db2.gz AYPVJHOPUIWLIR-AEJSXWLSSA-N 2 0 279.392 -0.103 20 0 CBADRP C[NH+]1CCC(CCNc2nc(N)[nH+]c(N)n2)CC1 ZINC000623915011 356382363 /nfs/dbraw/zinc/38/23/63/356382363.db2.gz REOFOZSCEQKFDL-UHFFFAOYSA-N 2 0 251.338 -0.738 20 0 CBADRP C[C@@H]1C[C@@H](N(C)c2nc(N)[nH+]c(N)n2)CC[N@@H+]1C ZINC000623991986 356386584 /nfs/dbraw/zinc/38/65/84/356386584.db2.gz YIDAIAWDPFAGMB-SFYZADRCSA-N 2 0 251.338 -0.384 20 0 CBADRP CCC[N@H+](C)C[C@H]1CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624005566 356387894 /nfs/dbraw/zinc/38/78/94/356387894.db2.gz UZCKYJXWFAZLTK-SECBINFHSA-N 2 0 265.365 -0.135 20 0 CBADRP C[C@@H](C1CC[NH+](C)CC1)N(C)c1nc(N)[nH+]c(N)n1 ZINC000624088658 356396753 /nfs/dbraw/zinc/39/67/53/356396753.db2.gz QHAHNHCLFDVLKE-QMMMGPOBSA-N 2 0 265.365 -0.137 20 0 CBADRP Nc1nc(N2CCC[C@@H]2C[NH+]2CCCC2)nc(N)[nH+]1 ZINC000624117457 356397947 /nfs/dbraw/zinc/39/79/47/356397947.db2.gz PAAKUWJXSXLLFN-SECBINFHSA-N 2 0 263.349 -0.239 20 0 CBADRP Cc1cnn(C)c1S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000624368600 356413816 /nfs/dbraw/zinc/41/38/16/356413816.db2.gz SVMLNKZTJSBZAU-UHFFFAOYSA-N 2 0 289.405 -0.583 20 0 CBADRP Nc1nc(NC[C@H]2CC[N@@H+]2C2CCCC2)nc(N)[nH+]1 ZINC000624639498 356430174 /nfs/dbraw/zinc/43/01/74/356430174.db2.gz FREGHDZISUGKMB-SECBINFHSA-N 2 0 263.349 -0.453 20 0 CBADRP C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@@H+](C2CC2)C1 ZINC000624247987 356406890 /nfs/dbraw/zinc/40/68/90/356406890.db2.gz XSMMFEPUMCLVSP-QMMMGPOBSA-N 2 0 263.349 -0.383 20 0 CBADRP CC[NH+]1CCN(CC(C)(C)Nc2nc(N)[nH+]c(N)n2)CC1 ZINC000624263181 356408815 /nfs/dbraw/zinc/40/88/15/356408815.db2.gz BXOZXPUVVLIGAV-UHFFFAOYSA-N 2 0 294.407 -0.475 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)NC[C@H]2COCC[NH2+]2)cn1 ZINC000625865658 356495617 /nfs/dbraw/zinc/49/56/17/356495617.db2.gz XOCZTNLPYVEKOK-LBPRGKRZSA-N 2 0 296.375 -0.445 20 0 CBADRP [NH3+]C[C@@H](NC(=O)NCC[N@@H+]1CC[C@H](O)C1)C(F)(F)F ZINC000625899604 356496319 /nfs/dbraw/zinc/49/63/19/356496319.db2.gz XTOOHRHBFOXAHG-JGVFFNPUSA-N 2 0 284.282 -0.758 20 0 CBADRP C[NH+](C)CCn1nccc1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000625891301 356496875 /nfs/dbraw/zinc/49/68/75/356496875.db2.gz SCEJCOINGHISCL-SNVBAGLBSA-N 2 0 266.349 -0.072 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000626980510 356562681 /nfs/dbraw/zinc/56/26/81/356562681.db2.gz IOGBNDKGPKOADK-CYBMUJFWSA-N 2 0 283.420 -0.325 20 0 CBADRP CC[NH+](CC)CCNC(=O)N(C)CCOCC[NH3+] ZINC000626917334 356556336 /nfs/dbraw/zinc/55/63/36/356556336.db2.gz YEUYFHQHDFKMDQ-UHFFFAOYSA-N 2 0 260.382 -0.055 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000626978642 356562530 /nfs/dbraw/zinc/56/25/30/356562530.db2.gz HNYZGNNDNGNVQZ-LLVKDONJSA-N 2 0 270.377 -0.242 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)N(C)CCOCC[NH3+] ZINC000626952439 356560064 /nfs/dbraw/zinc/56/00/64/356560064.db2.gz CFDQSTRZAOJBKL-LLVKDONJSA-N 2 0 260.382 -0.057 20 0 CBADRP CC[N@H+](CCNC(=O)NC[C@H]1COCC[NH2+]1)C1CC1 ZINC000626964952 356561090 /nfs/dbraw/zinc/56/10/90/356561090.db2.gz MRRNMJRVKLQEQU-NSHDSACASA-N 2 0 270.377 -0.242 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2C[N@H+](C)CCN2C)C[NH2+]1 ZINC000626974630 356561608 /nfs/dbraw/zinc/56/16/08/356561608.db2.gz JPGIGVNINXNPEN-UPJWGTAASA-N 2 0 283.420 -0.328 20 0 CBADRP CCN(CC[NH3+])C(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000627003100 356566001 /nfs/dbraw/zinc/56/60/01/356566001.db2.gz GYTKKJNDCSMIOP-GHMZBOCLSA-N 2 0 258.366 -0.304 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000627003900 356566159 /nfs/dbraw/zinc/56/61/59/356566159.db2.gz WPUWIJSNXRVIKT-RYUDHWBXSA-N 2 0 288.392 -0.759 20 0 CBADRP C[NH+](C)C1(CNC(=O)NC[C@H]2COCC[NH2+]2)CCC1 ZINC000627018224 356567441 /nfs/dbraw/zinc/56/74/41/356567441.db2.gz SICPKSIKWGZIFL-NSHDSACASA-N 2 0 270.377 -0.242 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)NCC[N@H+]1CC[C@H](O)C1 ZINC000627073125 356573219 /nfs/dbraw/zinc/57/32/19/356573219.db2.gz KQBFHLNPUKWRDE-RYUDHWBXSA-N 2 0 270.377 -0.648 20 0 CBADRP [NH3+]CCCOCCNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000627044411 356570065 /nfs/dbraw/zinc/57/00/65/356570065.db2.gz JOABEGMYZWNRQW-UHFFFAOYSA-N 2 0 288.392 -0.627 20 0 CBADRP [NH3+]CCNC(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000627065921 356571440 /nfs/dbraw/zinc/57/14/40/356571440.db2.gz HHTOAWLVEVYVFB-ZDUSSCGKSA-N 2 0 293.371 -0.460 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@@H]1CCC[NH2+]C1 ZINC000627068286 356572368 /nfs/dbraw/zinc/57/23/68/356572368.db2.gz HDBXTTVLUGFZKR-VXGBXAGGSA-N 2 0 270.377 -0.648 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@@H]1CCC[NH2+]C1 ZINC000627068283 356572384 /nfs/dbraw/zinc/57/23/84/356572384.db2.gz HDBXTTVLUGFZKR-NEPJUHHUSA-N 2 0 270.377 -0.648 20 0 CBADRP [NH3+]C1(CNC(=O)NC[C@@H]2CCCC[NH2+]2)CCOCC1 ZINC000627066188 356572646 /nfs/dbraw/zinc/57/26/46/356572646.db2.gz QCMMVMOTEDFJFO-NSHDSACASA-N 2 0 270.377 -0.064 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N(C)CCOCC[NH3+])C1 ZINC000626982660 356563454 /nfs/dbraw/zinc/56/34/54/356563454.db2.gz OMIOBQPEAUEEFJ-LBPRGKRZSA-N 2 0 288.392 -0.676 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)NCC1([NH3+])CCOCC1 ZINC000627147328 356588372 /nfs/dbraw/zinc/58/83/72/356588372.db2.gz GTNWTAJFHLNPRA-LLVKDONJSA-N 2 0 270.377 -0.112 20 0 CBADRP [NH3+]C1(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCOCC1 ZINC000627147514 356588460 /nfs/dbraw/zinc/58/84/60/356588460.db2.gz KCBOATVXVHAHLB-ZDUSSCGKSA-N 2 0 282.388 -0.111 20 0 CBADRP [NH3+]C1(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CCOCC1 ZINC000627148601 356588491 /nfs/dbraw/zinc/58/84/91/356588491.db2.gz YQAPYEPSBDPXRF-NWDGAFQWSA-N 2 0 282.388 -0.112 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)NCC2([NH3+])CCOCC2)C[NH2+]1 ZINC000627146727 356588765 /nfs/dbraw/zinc/58/87/65/356588765.db2.gz CUPPJZRBBIBNMK-WDEREUQCSA-N 2 0 270.377 -0.066 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)NCC2([NH3+])CCOCC2)C[NH2+]1 ZINC000627146724 356588864 /nfs/dbraw/zinc/58/88/64/356588864.db2.gz CUPPJZRBBIBNMK-GHMZBOCLSA-N 2 0 270.377 -0.066 20 0 CBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC1([NH3+])CCOCC1 ZINC000627147936 356589000 /nfs/dbraw/zinc/58/90/00/356589000.db2.gz PDBCPMYWJXPITE-UWVGGRQHSA-N 2 0 256.350 -0.375 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627157118 356590374 /nfs/dbraw/zinc/59/03/74/356590374.db2.gz OCYHVHHOUPKJMH-SDDRHHMPSA-N 2 0 270.377 -0.507 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCOCCC[NH3+] ZINC000627156658 356590383 /nfs/dbraw/zinc/59/03/83/356590383.db2.gz FUYOSMBLMCSEMK-WDEREUQCSA-N 2 0 258.366 -0.209 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000627158559 356591098 /nfs/dbraw/zinc/59/10/98/356591098.db2.gz YFJXFNUKUZCTDY-WDEREUQCSA-N 2 0 268.361 -0.489 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000627158691 356591311 /nfs/dbraw/zinc/59/13/11/356591311.db2.gz BJVKIVSAMZCGFL-NNYUYHANSA-N 2 0 270.377 -0.116 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000627170525 356592151 /nfs/dbraw/zinc/59/21/51/356592151.db2.gz BUHAKYYENYTABR-RYUDHWBXSA-N 2 0 272.393 -0.151 20 0 CBADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCCOCC[NH2+]C ZINC000627171649 356592900 /nfs/dbraw/zinc/59/29/00/356592900.db2.gz FYGYHMNNYOJBFE-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000627171391 356593026 /nfs/dbraw/zinc/59/30/26/356593026.db2.gz UZWRAMHGZIQAEG-GHMZBOCLSA-N 2 0 258.366 -0.386 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000627171402 356593120 /nfs/dbraw/zinc/59/31/20/356593120.db2.gz VJIUGEMIYGDEDN-ZDUSSCGKSA-N 2 0 270.377 -0.383 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000627171085 356593324 /nfs/dbraw/zinc/59/33/24/356593324.db2.gz QAUWTKSKUHYXIQ-VXGBXAGGSA-N 2 0 270.377 -0.384 20 0 CBADRP C[NH2+]CCOCCNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000627073127 356573627 /nfs/dbraw/zinc/57/36/27/356573627.db2.gz KRVBWJXDVSBPRH-LLVKDONJSA-N 2 0 258.366 -0.479 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000627076880 356575093 /nfs/dbraw/zinc/57/50/93/356575093.db2.gz LXKJXGKOGMJOPJ-NSHDSACASA-N 2 0 258.366 -0.399 20 0 CBADRP [NH3+]C[C@@H](NC(=O)NCC[N@@H+]1CC[C@H](O)C1)C1CC1 ZINC000627079838 356576174 /nfs/dbraw/zinc/57/61/74/356576174.db2.gz XPZNKERJXMOYPK-WDEREUQCSA-N 2 0 256.350 -0.911 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000627083203 356578241 /nfs/dbraw/zinc/57/82/41/356578241.db2.gz GYNQQLKJYPFVNC-UHFFFAOYSA-N 2 0 272.393 -0.007 20 0 CBADRP C[NH2+]CCOCCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000627084280 356578320 /nfs/dbraw/zinc/57/83/20/356578320.db2.gz RIJRABMDRPVXPP-CYBMUJFWSA-N 2 0 272.393 -0.089 20 0 CBADRP [NH3+][C@@H](CNC(=O)NCC1([NH3+])CCOCC1)C1CC1 ZINC000627083573 356578395 /nfs/dbraw/zinc/57/83/95/356578395.db2.gz WMBLJAYSOGUIJG-JTQLQIEISA-N 2 0 256.350 -0.469 20 0 CBADRP [NH3+]CC1(NC(=O)NC[C@@H]([NH3+])C2CC2)CCOCC1 ZINC000627082608 356578483 /nfs/dbraw/zinc/57/84/83/356578483.db2.gz IVCQHMQGERYTEG-SNVBAGLBSA-N 2 0 256.350 -0.469 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCOCCC[NH3+] ZINC000627085957 356579199 /nfs/dbraw/zinc/57/91/99/356579199.db2.gz ANEBIPPBTHKLBY-GHMZBOCLSA-N 2 0 258.366 -0.351 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627087126 356579694 /nfs/dbraw/zinc/57/96/94/356579694.db2.gz GWJJHBIYEGKYJQ-MXWKQRLJSA-N 2 0 256.350 -0.456 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627087128 356580033 /nfs/dbraw/zinc/58/00/33/356580033.db2.gz GWJJHBIYEGKYJQ-VWYCJHECSA-N 2 0 256.350 -0.456 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000627088669 356580619 /nfs/dbraw/zinc/58/06/19/356580619.db2.gz RKXWOFHKAWXOLW-VXGBXAGGSA-N 2 0 272.393 -0.138 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)NCCOCCC[NH3+])CC[NH2+]1 ZINC000627090491 356581519 /nfs/dbraw/zinc/58/15/19/356581519.db2.gz VTTGPOPLFNNMIH-QWRGUYRKSA-N 2 0 258.366 -0.209 20 0 CBADRP COC[C@@]1(CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)CCC[NH2+]1 ZINC000627092494 356581578 /nfs/dbraw/zinc/58/15/78/356581578.db2.gz SZXCEGOFEKUHFK-LOWVWBTDSA-N 2 0 270.377 -0.195 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627090669 356581613 /nfs/dbraw/zinc/58/16/13/356581613.db2.gz YXBPSWVGIDVUNI-GHMZBOCLSA-N 2 0 258.366 -0.650 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)N(C)CCOCC[NH2+]C ZINC000627090463 356581691 /nfs/dbraw/zinc/58/16/91/356581691.db2.gz VJLPBAMZQJJYLA-LLVKDONJSA-N 2 0 260.382 -0.138 20 0 CBADRP [NH3+]C[C@H](NC(=O)NCC[N@@H+]1CC[C@H](O)C1)C1CCCC1 ZINC000627090788 356581778 /nfs/dbraw/zinc/58/17/78/356581778.db2.gz ZNJSWTNDFLVYEN-STQMWFEESA-N 2 0 284.404 -0.130 20 0 CBADRP O=C(NCCC[C@@H]1CCC[NH2+]1)NCC[N@H+]1CC[C@H](O)C1 ZINC000627101338 356582771 /nfs/dbraw/zinc/58/27/71/356582771.db2.gz VLZOLXZREXPQKH-STQMWFEESA-N 2 0 284.404 -0.116 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000627103942 356583533 /nfs/dbraw/zinc/58/35/33/356583533.db2.gz XWZKPBWHVCBKOJ-TUAOUCFPSA-N 2 0 270.377 -0.520 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCCO2)C[NH2+]1 ZINC000627102470 356583577 /nfs/dbraw/zinc/58/35/77/356583577.db2.gz NKHPPYXNZIMIMB-UTUOFQBUSA-N 2 0 270.377 -0.195 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000627103799 356583746 /nfs/dbraw/zinc/58/37/46/356583746.db2.gz WEYRHVWQRNGORT-GHMZBOCLSA-N 2 0 258.366 -0.270 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC1([NH3+])CCOCC1 ZINC000627105444 356584271 /nfs/dbraw/zinc/58/42/71/356584271.db2.gz ACHFKUXOBXCJMZ-NXEZZACHSA-N 2 0 258.366 -0.081 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000627112188 356585056 /nfs/dbraw/zinc/58/50/56/356585056.db2.gz BUKFEPCMTFHONQ-UHFFFAOYSA-N 2 0 258.366 -0.125 20 0 CBADRP C[NH2+]CCOCCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000627111109 356585227 /nfs/dbraw/zinc/58/52/27/356585227.db2.gz MRCFMTQHJZPEEH-TXEJJXNPSA-N 2 0 272.393 -0.138 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000627117548 356585913 /nfs/dbraw/zinc/58/59/13/356585913.db2.gz YMNLCZOVOPFHHO-UHFFFAOYSA-N 2 0 256.350 -0.645 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000627116195 356586153 /nfs/dbraw/zinc/58/61/53/356586153.db2.gz GPQWVEZHHSXZKU-OLZOCXBDSA-N 2 0 282.388 -0.099 20 0 CBADRP [NH3+]CCCOCCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627126664 356587023 /nfs/dbraw/zinc/58/70/23/356587023.db2.gz IGDNTUOWHSNBDC-LLVKDONJSA-N 2 0 270.377 -0.064 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@H]1CC[NH2+]C12CCC2 ZINC000627126782 356587032 /nfs/dbraw/zinc/58/70/32/356587032.db2.gz LJCHVUCHVAUURL-QWRGUYRKSA-N 2 0 268.361 -0.441 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000627218686 356608163 /nfs/dbraw/zinc/60/81/63/356608163.db2.gz CTXVQZOUVXEYFD-ZDUSSCGKSA-N 2 0 299.419 -0.959 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000627219025 356608462 /nfs/dbraw/zinc/60/84/62/356608462.db2.gz LUEHASIEVPOTAL-TXEJJXNPSA-N 2 0 270.377 -0.112 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCCOCCC[NH3+])CCO1 ZINC000627219620 356608829 /nfs/dbraw/zinc/60/88/29/356608829.db2.gz ZCTYKIFHOZGMKN-MNOVXSKESA-N 2 0 274.365 -0.891 20 0 CBADRP C[C@H]1CN(C(=O)NCCOCCC[NH3+])CC[C@H]1[NH3+] ZINC000627219473 356609070 /nfs/dbraw/zinc/60/90/70/356609070.db2.gz XKWHRDZGCJXBCO-WDEREUQCSA-N 2 0 258.366 -0.270 20 0 CBADRP [NH3+]CCCOCCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000627219602 356609118 /nfs/dbraw/zinc/60/91/18/356609118.db2.gz YKEAMUIZTLKRTM-GHMZBOCLSA-N 2 0 258.366 -0.079 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000627241451 356610799 /nfs/dbraw/zinc/61/07/99/356610799.db2.gz GWQVARYVMDSLNW-UMNHJUIQSA-N 2 0 258.366 -0.651 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)[C@H](C)C1 ZINC000627243863 356611080 /nfs/dbraw/zinc/61/10/80/356611080.db2.gz XNXAZPOWXWPLRY-MROQNXINSA-N 2 0 284.404 -0.167 20 0 CBADRP CCO[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000627251912 356613848 /nfs/dbraw/zinc/61/38/48/356613848.db2.gz FIKXIVBDVQCXHQ-GMTAPVOTSA-N 2 0 256.350 -0.647 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627185757 356597784 /nfs/dbraw/zinc/59/77/84/356597784.db2.gz LQXMUBBREGLACS-GFCCVEGCSA-N 2 0 288.392 -0.806 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627188704 356600044 /nfs/dbraw/zinc/60/00/44/356600044.db2.gz FLBKAWGRZZMNJW-LLVKDONJSA-N 2 0 258.366 -0.432 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627190605 356600879 /nfs/dbraw/zinc/60/08/79/356600879.db2.gz BCWGKXUCMPZDCO-VXGBXAGGSA-N 2 0 270.377 -0.386 20 0 CBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627190305 356601722 /nfs/dbraw/zinc/60/17/22/356601722.db2.gz FBXHDHYETWFMFI-VXGBXAGGSA-N 2 0 272.393 -0.010 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)NC[C@]2(O)CC[N@H+](C)C2)C[NH2+]1 ZINC000627205203 356604668 /nfs/dbraw/zinc/60/46/68/356604668.db2.gz NXFOXALNHJQOJS-NQBHXWOUSA-N 2 0 270.377 -0.507 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)NCCOCCC[NH3+])C[NH2+]1 ZINC000627208044 356605048 /nfs/dbraw/zinc/60/50/48/356605048.db2.gz GCOILYRCNZVULZ-MNOVXSKESA-N 2 0 258.366 -0.209 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C[NH2+]1 ZINC000627208018 356605071 /nfs/dbraw/zinc/60/50/71/356605071.db2.gz VOSVOXPMYLJOAW-GRYCIOLGSA-N 2 0 269.393 -0.589 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)N(C)CCOCC[NH3+])C[NH2+]1 ZINC000627208305 356606113 /nfs/dbraw/zinc/60/61/13/356606113.db2.gz HRHWIHSWTOUEBL-MNOVXSKESA-N 2 0 258.366 -0.256 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000627357637 356631342 /nfs/dbraw/zinc/63/13/42/356631342.db2.gz LMCDVSNDTPCORH-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000627357252 356631648 /nfs/dbraw/zinc/63/16/48/356631648.db2.gz BGIXYSVYUKQRFU-FRRDWIJNSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000627357860 356631707 /nfs/dbraw/zinc/63/17/07/356631707.db2.gz SRVSGVQFNKTMQU-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000627367371 356633555 /nfs/dbraw/zinc/63/35/55/356633555.db2.gz RMNGLCJIQSIMRR-UHFFFAOYSA-N 2 0 296.415 -0.073 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000627372154 356634890 /nfs/dbraw/zinc/63/48/90/356634890.db2.gz DQQLXPIGLJWCJR-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C1=CC[N@H+](C)CC1 ZINC000627376409 356635246 /nfs/dbraw/zinc/63/52/46/356635246.db2.gz ARZVQZJFTMOBER-ZYHUDNBSSA-N 2 0 280.372 -0.769 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627291002 356620780 /nfs/dbraw/zinc/62/07/80/356620780.db2.gz HYSJIFOSMXUZSK-GFCCVEGCSA-N 2 0 282.388 -0.547 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000627291313 356620972 /nfs/dbraw/zinc/62/09/72/356620972.db2.gz QLDPANIAWMOADK-ZDUSSCGKSA-N 2 0 296.415 -0.347 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000627294469 356621164 /nfs/dbraw/zinc/62/11/64/356621164.db2.gz BEEQCYDQAZGESR-NSHDSACASA-N 2 0 272.393 -0.360 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627295001 356621652 /nfs/dbraw/zinc/62/16/52/356621652.db2.gz RCORKTVHBINBHR-GRYCIOLGSA-N 2 0 284.404 -0.301 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000627372883 356635354 /nfs/dbraw/zinc/63/53/54/356635354.db2.gz ZHTKTGXSQWGNLR-KGYLQXTDSA-N 2 0 296.415 -0.158 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000627319015 356625900 /nfs/dbraw/zinc/62/59/00/356625900.db2.gz HNYMCGUVWOZUSA-NWDGAFQWSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000627325579 356626842 /nfs/dbraw/zinc/62/68/42/356626842.db2.gz ODORIYXNROOIPD-JBLDHEPKSA-N 2 0 280.372 -0.794 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627333044 356627203 /nfs/dbraw/zinc/62/72/03/356627203.db2.gz RWKFUSXVORHDAS-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000627341933 356629305 /nfs/dbraw/zinc/62/93/05/356629305.db2.gz RYMKEVCVBWJQQY-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N(CC)CC[NH3+] ZINC000627346549 356629813 /nfs/dbraw/zinc/62/98/13/356629813.db2.gz VTBGQOOMKOPKMC-UHFFFAOYSA-N 2 0 272.393 -0.358 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000627446637 356648359 /nfs/dbraw/zinc/64/83/59/356648359.db2.gz QWSIFDXLRNEKEP-NEPJUHHUSA-N 2 0 294.399 -0.402 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000627457248 356649257 /nfs/dbraw/zinc/64/92/57/356649257.db2.gz PAGUQKBOGWHRTA-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000627388754 356637163 /nfs/dbraw/zinc/63/71/63/356637163.db2.gz GGQPPEWYKKILCV-ZDUSSCGKSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627389731 356637401 /nfs/dbraw/zinc/63/74/01/356637401.db2.gz NPUDSDQDEQBODO-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627389729 356637445 /nfs/dbraw/zinc/63/74/45/356637445.db2.gz NPUDSDQDEQBODO-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000627398425 356639116 /nfs/dbraw/zinc/63/91/16/356639116.db2.gz MRSFTPDYVWVCDQ-RNJOBUHISA-N 2 0 294.399 -0.404 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627505975 356660844 /nfs/dbraw/zinc/66/08/44/356660844.db2.gz SAWMJRCKEZVBMD-GFCCVEGCSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000627506555 356661758 /nfs/dbraw/zinc/66/17/58/356661758.db2.gz XJWQUXCLWKGXEE-YNEHKIRRSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C[NH2+]1 ZINC000627477420 356653627 /nfs/dbraw/zinc/65/36/27/356653627.db2.gz VMSNZTWVRHHRPZ-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C[NH2+]1 ZINC000627477417 356653825 /nfs/dbraw/zinc/65/38/25/356653825.db2.gz VMSNZTWVRHHRPZ-AGIUHOORSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)C(=O)N(C)CC[NH+]2CCCC2)C[NH2+]1 ZINC000627484364 356655434 /nfs/dbraw/zinc/65/54/34/356655434.db2.gz WWSBLUBTRFYHRE-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000627499139 356657203 /nfs/dbraw/zinc/65/72/03/356657203.db2.gz APUUEJBKBSXELH-YNEHKIRRSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000627499138 356657236 /nfs/dbraw/zinc/65/72/36/356657236.db2.gz APUUEJBKBSXELH-RWMBFGLXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000627499444 356658249 /nfs/dbraw/zinc/65/82/49/356658249.db2.gz NCGOVOOMLHCINK-RWMBFGLXSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000627502624 356658999 /nfs/dbraw/zinc/65/89/99/356658999.db2.gz FCIQYRGTOUFHJI-NWDGAFQWSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000627503760 356659896 /nfs/dbraw/zinc/65/98/96/356659896.db2.gz ZXSFIEFETZZSFD-QJPTWQEYSA-N 2 0 282.388 -0.594 20 0 CBADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)C[C@H]21 ZINC000627653365 356667511 /nfs/dbraw/zinc/66/75/11/356667511.db2.gz MPRMKSRZIXNXKZ-RFQIPJPRSA-N 2 0 278.400 -0.605 20 0 CBADRP CNC(=O)NC[C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000629554159 356778629 /nfs/dbraw/zinc/77/86/29/356778629.db2.gz BHCBWKVBEIGGIG-NWDGAFQWSA-N 2 0 298.387 -0.863 20 0 CBADRP NC(=O)C[C@@H]1C[N@@H+]([C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000629545440 356778762 /nfs/dbraw/zinc/77/87/62/356778762.db2.gz MIDTZDUSIWXCFA-WUHRBBMRSA-N 2 0 267.373 -0.049 20 0 CBADRP c1cnc(N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)nn1 ZINC000629552491 356778882 /nfs/dbraw/zinc/77/88/82/356778882.db2.gz KXLGGIWASQGYLW-LBPRGKRZSA-N 2 0 262.361 -0.007 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629173215 356752521 /nfs/dbraw/zinc/75/25/21/356752521.db2.gz PSDKTFBMOJGRJA-QWHCGFSZSA-N 2 0 285.388 -0.863 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000629567036 356780459 /nfs/dbraw/zinc/78/04/59/356780459.db2.gz MQDSHXPNZSFMPN-CHWSQXEVSA-N 2 0 287.404 -0.162 20 0 CBADRP COc1cncc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000629514440 356776189 /nfs/dbraw/zinc/77/61/89/356776189.db2.gz ZWJQWYLYWOCTOF-LLVKDONJSA-N 2 0 293.371 -0.228 20 0 CBADRP C[C@@]1(CNCc2cn([C@@H]3CC[NH2+]C3)nn2)CC[NH2+]C1 ZINC000629668386 356789036 /nfs/dbraw/zinc/78/90/36/356789036.db2.gz UAZKXKNWXHVXJU-CHWSQXEVSA-N 2 0 264.377 -0.098 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000629787787 356792408 /nfs/dbraw/zinc/79/24/08/356792408.db2.gz LCUNILTZRGANHG-LBPRGKRZSA-N 2 0 284.404 -0.264 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000629796394 356794479 /nfs/dbraw/zinc/79/44/79/356794479.db2.gz QIQOXCXADQUDGA-UHFFFAOYSA-N 2 0 284.404 -0.406 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000629797953 356795237 /nfs/dbraw/zinc/79/52/37/356795237.db2.gz GXJZCILIDCGINO-NEPJUHHUSA-N 2 0 284.404 -0.265 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000629801586 356795957 /nfs/dbraw/zinc/79/59/57/356795957.db2.gz AUBGGPMPBHYBSM-STQMWFEESA-N 2 0 296.415 -0.264 20 0 CBADRP C[N@H+](CC(=O)NCC[NH+]1CC[C@H](O)C1)[C@@H]1CCSC1 ZINC000629914892 356807007 /nfs/dbraw/zinc/80/70/07/356807007.db2.gz LLWWJOFYMKRQSU-NEPJUHHUSA-N 2 0 287.429 -0.394 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@@H+]1C ZINC000629917509 356809044 /nfs/dbraw/zinc/80/90/44/356809044.db2.gz DKOOWXQKHZITCE-GRYCIOLGSA-N 2 0 255.362 -0.491 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000630074438 356823553 /nfs/dbraw/zinc/82/35/53/356823553.db2.gz AOBAWUJRAXIUHR-RFQIPJPRSA-N 2 0 281.400 -0.006 20 0 CBADRP CS(=O)(=O)NC1CC([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629576674 356781359 /nfs/dbraw/zinc/78/13/59/356781359.db2.gz BRUCOVDWMKFPKS-HTAVTVPLSA-N 2 0 291.417 -0.887 20 0 CBADRP C[C@H](C(=O)NCC(F)(F)F)[N@H+](C)CCOCC[NH3+] ZINC000629578532 356782847 /nfs/dbraw/zinc/78/28/47/356782847.db2.gz QAVYLJPBJYVARB-MRVPVSSYSA-N 2 0 271.283 -0.040 20 0 CBADRP CC(C)CC[C@@H](CO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000629591574 356783503 /nfs/dbraw/zinc/78/35/03/356783503.db2.gz JWPSVJHVMIKSNU-GJZGRUSLSA-N 2 0 287.448 -0.019 20 0 CBADRP NC(=O)C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000629583895 356783818 /nfs/dbraw/zinc/78/38/18/356783818.db2.gz KFJVETSHLMRZTP-VXGBXAGGSA-N 2 0 255.362 -0.048 20 0 CBADRP NC(=O)C[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000629583892 356783848 /nfs/dbraw/zinc/78/38/48/356783848.db2.gz KFJVETSHLMRZTP-NEPJUHHUSA-N 2 0 255.362 -0.048 20 0 CBADRP OCC[N@@H+]1CCCC[C@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000629585035 356784147 /nfs/dbraw/zinc/78/41/47/356784147.db2.gz YKCIRKOJKCHCDY-GJZGRUSLSA-N 2 0 285.432 -0.121 20 0 CBADRP O[C@H](C[NH2+]C[C@@H](O)[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000629590341 356784183 /nfs/dbraw/zinc/78/41/83/356784183.db2.gz VGBLKUOCFVVYKC-UPJWGTAASA-N 2 0 258.362 -0.427 20 0 CBADRP CC[C@H](C(=O)N(C)CC(=O)N1CC[NH2+]CC1)[NH+](C)C ZINC000629597244 356784767 /nfs/dbraw/zinc/78/47/67/356784767.db2.gz HPFCJWRUXJRUBZ-LLVKDONJSA-N 2 0 270.377 -0.783 20 0 CBADRP Cn1cc(C[C@@H](CO)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cn1 ZINC000629593759 356785178 /nfs/dbraw/zinc/78/51/78/356785178.db2.gz JSBAWNVZTKQLGT-HUUCEWRRSA-N 2 0 296.415 -0.383 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000629608229 356787088 /nfs/dbraw/zinc/78/70/88/356787088.db2.gz WCBXJFKEDPXVCS-RRFJBIMHSA-N 2 0 283.416 -0.248 20 0 CBADRP C[NH+](C)CCCn1cc(Cn2cc(C[NH3+])cn2)nn1 ZINC000630586482 356853898 /nfs/dbraw/zinc/85/38/98/356853898.db2.gz YBDRQACYFHQDBI-UHFFFAOYSA-N 2 0 263.349 -0.067 20 0 CBADRP c1c(CN2CC[NH2+]CC2)nnn1C[C@H]1CCC[NH2+]1 ZINC000630605101 356854801 /nfs/dbraw/zinc/85/48/01/356854801.db2.gz XBNHWKROQXHJGN-LLVKDONJSA-N 2 0 250.350 -0.565 20 0 CBADRP c1c(C[C@H]2CCC[NH2+]C2)nnn1C[C@@H]1C[NH2+]CCO1 ZINC000630616305 356855168 /nfs/dbraw/zinc/85/51/68/356855168.db2.gz IDKWQYMSMOSRGX-YPMHNXCESA-N 2 0 265.361 -0.191 20 0 CBADRP C[NH+]1CCN(Cc2cn(C[C@H]3C[NH2+]CCO3)nn2)CC1 ZINC000630615695 356855292 /nfs/dbraw/zinc/85/52/92/356855292.db2.gz BIDFYPBXURKUOI-CYBMUJFWSA-N 2 0 280.376 -0.986 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC000631830496 356909705 /nfs/dbraw/zinc/90/97/05/356909705.db2.gz UFKCYRSEXMASNB-NSHDSACASA-N 2 0 253.350 -0.067 20 0 CBADRP C[C@@H]1C[N@H+](CCC(=O)N2CCOCC2)C[C@H]1C[NH3+] ZINC000631841902 356910711 /nfs/dbraw/zinc/91/07/11/356910711.db2.gz ROMCDOUNTDLSNM-VXGBXAGGSA-N 2 0 255.362 -0.238 20 0 CBADRP CS(=O)(=O)N[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000631867336 356914289 /nfs/dbraw/zinc/91/42/89/356914289.db2.gz QWWJICQMYBOJLC-NWDGAFQWSA-N 2 0 275.418 0.000 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NCCCN1CC[NH2+]CC1 ZINC000631900181 356917101 /nfs/dbraw/zinc/91/71/01/356917101.db2.gz JUYBBYRCKJDLFQ-UHFFFAOYSA-N 2 0 292.449 -0.847 20 0 CBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CCCC[NH2+]1 ZINC000631901925 356918078 /nfs/dbraw/zinc/91/80/78/356918078.db2.gz BYXKTBXZPVEMQZ-WDEREUQCSA-N 2 0 277.390 -0.964 20 0 CBADRP C[C@H]([NH3+])CCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631902903 356918571 /nfs/dbraw/zinc/91/85/71/356918571.db2.gz UJAXRAURNUFSLV-VIFPVBQESA-N 2 0 264.395 -0.758 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCCC[C@@H]1C[NH3+] ZINC000631902113 356918981 /nfs/dbraw/zinc/91/89/81/356918981.db2.gz FIVDQZRLZDRNFX-GFCCVEGCSA-N 2 0 290.433 -0.272 20 0 CBADRP CN([C@H]1CC[NH2+]C1)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631904422 356920369 /nfs/dbraw/zinc/92/03/69/356920369.db2.gz NCXYNIVIMDAHLX-NSHDSACASA-N 2 0 276.406 -0.791 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631905230 356920407 /nfs/dbraw/zinc/92/04/07/356920407.db2.gz IDLYFALNZGRNTC-SDDRHHMPSA-N 2 0 291.417 -0.588 20 0 CBADRP C[NH2+]C[C@@H]1CCN(S(=O)(=O)CCC[NH+](C)C)C1 ZINC000631904553 356920480 /nfs/dbraw/zinc/92/04/80/356920480.db2.gz QYWGQWXOQLIKKH-NSHDSACASA-N 2 0 263.407 -0.191 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@H](C[NH3+])C1CC1 ZINC000631906320 356921162 /nfs/dbraw/zinc/92/11/62/356921162.db2.gz JFSGVJNABFLSCM-LLVKDONJSA-N 2 0 276.406 -0.758 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@@H]1C[NH3+] ZINC000631906519 356921247 /nfs/dbraw/zinc/92/12/47/356921247.db2.gz OJHXHJPNSSTYGL-LLVKDONJSA-N 2 0 276.406 -0.662 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631906221 356921452 /nfs/dbraw/zinc/92/14/52/356921452.db2.gz HCBFRXHDHJQKIB-WOPDTQHZSA-N 2 0 289.401 -0.869 20 0 CBADRP C[C@H](CC[NH+](C)C)NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631923877 356922491 /nfs/dbraw/zinc/92/24/91/356922491.db2.gz YVOCMOBWVSRERN-LLVKDONJSA-N 2 0 292.449 -0.155 20 0 CBADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000631931237 356924754 /nfs/dbraw/zinc/92/47/54/356924754.db2.gz AWTIDWOMJJVDPH-TXEJJXNPSA-N 2 0 290.433 -0.967 20 0 CBADRP [NH3+]C[C@@H]1CN(S(=O)(=O)CCC[NH+]2CCCC2)CCO1 ZINC000631929939 356924935 /nfs/dbraw/zinc/92/49/35/356924935.db2.gz RPYVTGVSSMINCY-GFCCVEGCSA-N 2 0 291.417 -0.538 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631930650 356925198 /nfs/dbraw/zinc/92/51/98/356925198.db2.gz SYIZNPLMHYALEK-MXWKQRLJSA-N 2 0 277.390 -0.836 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)CCC[NH+](C)C ZINC000631930158 356925210 /nfs/dbraw/zinc/92/52/10/356925210.db2.gz YLIREWKXFZTPFW-WDEREUQCSA-N 2 0 263.407 -0.050 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)CCC[NH+](C)C)C1 ZINC000631932548 356926068 /nfs/dbraw/zinc/92/60/68/356926068.db2.gz WFAUHTPWQUXWIT-MNOVXSKESA-N 2 0 263.407 -0.063 20 0 CBADRP [NH3+]C[C@@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)C1CCCC1 ZINC000631932414 356926274 /nfs/dbraw/zinc/92/62/74/356926274.db2.gz OPEIDQCXOYMFOJ-NWDGAFQWSA-N 2 0 291.417 -0.588 20 0 CBADRP C[C@H]1[NH2+]CCN(S(=O)(=O)CCC[NH+](C)C)[C@H]1C ZINC000631935164 356926947 /nfs/dbraw/zinc/92/69/47/356926947.db2.gz DTSWHJHDRXLBOI-MNOVXSKESA-N 2 0 263.407 -0.050 20 0 CBADRP C[C@]1(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000631934593 356927116 /nfs/dbraw/zinc/92/71/16/356927116.db2.gz FQJXHHPDXYENEG-NEPJUHHUSA-N 2 0 291.417 -0.716 20 0 CBADRP C[C@@]1(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000631934596 356927205 /nfs/dbraw/zinc/92/72/05/356927205.db2.gz FQJXHHPDXYENEG-VXGBXAGGSA-N 2 0 291.417 -0.716 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631935737 356928233 /nfs/dbraw/zinc/92/82/33/356928233.db2.gz ZEKZSMLYYZAVLE-ZYHUDNBSSA-N 2 0 290.433 -0.497 20 0 CBADRP C[C@H](CCC[NH3+])NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631940031 356929640 /nfs/dbraw/zinc/92/96/40/356929640.db2.gz NIXQKDHSGAHAGG-NXEZZACHSA-N 2 0 265.379 -0.978 20 0 CBADRP CC(C)(CCC[NH3+])NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631939600 356929652 /nfs/dbraw/zinc/92/96/52/356929652.db2.gz DKVOHLUIWKMKPD-JTQLQIEISA-N 2 0 279.406 -0.588 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631942110 356929856 /nfs/dbraw/zinc/92/98/56/356929856.db2.gz PNOOUZHAXNLLSY-VWYCJHECSA-N 2 0 277.390 -0.978 20 0 CBADRP C[C@@H]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000631944112 356930398 /nfs/dbraw/zinc/93/03/98/356930398.db2.gz ONRUUBHEKHFNKQ-IJLUTSLNSA-N 2 0 291.417 -0.779 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000631945192 356930867 /nfs/dbraw/zinc/93/08/67/356930867.db2.gz QWYKIIAUDAKPHM-NSHDSACASA-N 2 0 279.406 -0.683 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631947075 356931528 /nfs/dbraw/zinc/93/15/28/356931528.db2.gz TZDNTSVNGOVRTG-VHSXEESVSA-N 2 0 278.422 -0.370 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631954815 356934190 /nfs/dbraw/zinc/93/41/90/356934190.db2.gz XQCBDYPYLZZPON-OUAUKWLOSA-N 2 0 277.390 -0.965 20 0 CBADRP CN(CCOCC[NH3+])S(=O)(=O)CCC[NH+](C)C ZINC000631955384 356934768 /nfs/dbraw/zinc/93/47/68/356934768.db2.gz JEWMNVNCEOCKTC-UHFFFAOYSA-N 2 0 267.395 -0.825 20 0 CBADRP C[C@@H]1CC[C@H](NS(=O)(=O)N(C)C2CC[NH2+]CC2)C[NH2+]1 ZINC000631955831 356934786 /nfs/dbraw/zinc/93/47/86/356934786.db2.gz PSSLCNAZROGGBC-MNOVXSKESA-N 2 0 290.433 -0.355 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)CCC[NH+](C)C)C[C@H]1C[NH3+] ZINC000631965851 356935556 /nfs/dbraw/zinc/93/55/56/356935556.db2.gz IUKXPWNCENQPDB-GHMZBOCLSA-N 2 0 263.407 -0.206 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631971219 356937314 /nfs/dbraw/zinc/93/73/14/356937314.db2.gz NDVFUZSJCNFHRE-PHIMTYICSA-N 2 0 288.417 -0.649 20 0 CBADRP [NH3+]CC1(NS(=O)(=O)C[C@H]2C[NH2+]CCO2)CCCCC1 ZINC000631978614 356938222 /nfs/dbraw/zinc/93/82/22/356938222.db2.gz FHBGZQDOHULYBO-LLVKDONJSA-N 2 0 291.417 -0.444 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NC1CC[NH+](C)CC1 ZINC000631676840 356900695 /nfs/dbraw/zinc/90/06/95/356900695.db2.gz IBXICKUYOQQFMW-UHFFFAOYSA-N 2 0 263.407 -0.048 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)cn1 ZINC000632472797 356993112 /nfs/dbraw/zinc/99/31/12/356993112.db2.gz GLGUKSJYLKYJHK-CQSZACIVSA-N 2 0 295.387 -0.759 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632860113 357029102 /nfs/dbraw/zinc/02/91/02/357029102.db2.gz FBRHUDCIPSWYCL-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632878302 357029815 /nfs/dbraw/zinc/02/98/15/357029815.db2.gz OUZSTXYOGZYSOF-AAEUAGOBSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)CC[N@@H+]1C ZINC000633072542 357039514 /nfs/dbraw/zinc/03/95/14/357039514.db2.gz PFANPNNLFFMZEZ-GRYCIOLGSA-N 2 0 257.378 -0.245 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633079331 357040663 /nfs/dbraw/zinc/04/06/63/357040663.db2.gz VYDKBLRBEMKJGQ-LBPRGKRZSA-N 2 0 284.404 -0.264 20 0 CBADRP O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000633083761 357041723 /nfs/dbraw/zinc/04/17/23/357041723.db2.gz ICMLMLBPUZMRBC-XQQFMLRXSA-N 2 0 292.383 -0.744 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)C[C@H]1C[NH3+] ZINC000633099641 357045204 /nfs/dbraw/zinc/04/52/04/357045204.db2.gz VDEJMEYDWJUVSK-VXGBXAGGSA-N 2 0 296.415 -0.408 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633107372 357046904 /nfs/dbraw/zinc/04/69/04/357046904.db2.gz PTPVMSPJROTZRH-TUAOUCFPSA-N 2 0 280.372 -0.888 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH3+] ZINC000633106791 357047067 /nfs/dbraw/zinc/04/70/67/357047067.db2.gz MQNWXXFQUNZDSJ-UPJWGTAASA-N 2 0 296.415 -0.408 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000633115447 357049656 /nfs/dbraw/zinc/04/96/56/357049656.db2.gz JTXIYESFWOCOEX-YPMHNXCESA-N 2 0 296.415 -0.265 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)C1 ZINC000633119640 357050594 /nfs/dbraw/zinc/05/05/94/357050594.db2.gz QCOAUFLYNNRQTE-YNEHKIRRSA-N 2 0 296.415 -0.077 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000633120854 357050668 /nfs/dbraw/zinc/05/06/68/357050668.db2.gz VEWCJGAKHFHNBP-OLZOCXBDSA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000633138008 357050968 /nfs/dbraw/zinc/05/09/68/357050968.db2.gz BEBLBXKZDBLCMY-AGIUHOORSA-N 2 0 292.383 -0.593 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000633141378 357052325 /nfs/dbraw/zinc/05/23/25/357052325.db2.gz JORTWDLPUXSVBK-QWHCGFSZSA-N 2 0 296.415 -0.121 20 0 CBADRP C[NH2+]CCCNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000633974966 357098582 /nfs/dbraw/zinc/09/85/82/357098582.db2.gz LBLNFYZRSNTMIZ-UHFFFAOYSA-N 2 0 272.393 -0.306 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@]13C[NH2+]C[C@H]1COC3)C2 ZINC000634741554 357131676 /nfs/dbraw/zinc/13/16/76/357131676.db2.gz GUZKIKYIIQEIJW-MHEUCROKSA-N 2 0 279.384 -0.320 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634741587 357132043 /nfs/dbraw/zinc/13/20/43/357132043.db2.gz IGQMRADHTLIQMB-FPMFFAJLSA-N 2 0 268.405 -0.277 20 0 CBADRP CC1(OCC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C[NH2+]C1 ZINC000634744218 357132560 /nfs/dbraw/zinc/13/25/60/357132560.db2.gz RCOBFJQCAGJAJG-BETUJISGSA-N 2 0 267.373 -0.177 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768666 357134235 /nfs/dbraw/zinc/13/42/35/357134235.db2.gz SSFSGISWCDIYSG-SUNKGSAMSA-N 2 0 280.372 -0.887 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634769597 357135257 /nfs/dbraw/zinc/13/52/57/357135257.db2.gz HCDVCSGINPQWJA-MDZLAQPJSA-N 2 0 254.378 -0.476 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634992086 357141489 /nfs/dbraw/zinc/14/14/89/357141489.db2.gz COCOOMNUTVVWII-UHFFFAOYSA-N 2 0 292.427 -0.022 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634991010 357141728 /nfs/dbraw/zinc/14/17/28/357141728.db2.gz LONPGIMXQATLBU-LXVYMNJGSA-N 2 0 266.389 -0.475 20 0 CBADRP CNS(=O)(=O)CCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000635003663 357142391 /nfs/dbraw/zinc/14/23/91/357142391.db2.gz APSVRCSPMISJNS-MNOVXSKESA-N 2 0 263.407 -0.097 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634992934 357142502 /nfs/dbraw/zinc/14/25/02/357142502.db2.gz GFBAUTKLEHKBTL-NPCAHTBFSA-N 2 0 292.427 -0.023 20 0 CBADRP CC(C)[C@H](C[NH3+])CN1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000634997347 357142596 /nfs/dbraw/zinc/14/25/96/357142596.db2.gz JIQVXKOKWPLESE-CQSZACIVSA-N 2 0 297.447 -0.140 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](CN2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000635001752 357142640 /nfs/dbraw/zinc/14/26/40/357142640.db2.gz CEJIVQWQJCJKAN-UPJWGTAASA-N 2 0 266.389 -0.380 20 0 CBADRP C[NH+](C)CC(=O)N1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635262731 357154532 /nfs/dbraw/zinc/15/45/32/357154532.db2.gz AFAAEFNCDMSQLV-CYBMUJFWSA-N 2 0 296.415 -0.439 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000635546996 357174150 /nfs/dbraw/zinc/17/41/50/357174150.db2.gz DNXRJGNFIWJFIL-OLZOCXBDSA-N 2 0 268.405 -0.310 20 0 CBADRP COC1(C(=O)N(C)[C@@H](C[NH3+])C2CC2)CC[NH2+]CC1 ZINC000634291287 357115683 /nfs/dbraw/zinc/11/56/83/357115683.db2.gz HZFSLFAJTMWJIN-NSHDSACASA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@@H]1C[NH3+] ZINC000333864693 290548708 /nfs/dbraw/zinc/54/87/08/290548708.db2.gz STMYDIZGPUYVSL-KKJSVHSVSA-N 2 0 252.362 -0.170 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000635809505 357211133 /nfs/dbraw/zinc/21/11/33/357211133.db2.gz JTGKLRVDRWBACV-GFCCVEGCSA-N 2 0 257.378 -0.241 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C[NH+]1CCCCC1 ZINC000419897360 295942591 /nfs/dbraw/zinc/94/25/91/295942591.db2.gz YPWGSWRFAIJZPI-QWHCGFSZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CCCO)[NH+](C)C ZINC000635975273 357241470 /nfs/dbraw/zinc/24/14/70/357241470.db2.gz OHPHGMHOPQGZSE-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1)[NH+](C)C ZINC000635927187 357234103 /nfs/dbraw/zinc/23/41/03/357234103.db2.gz MIUHYGGHZAQZTL-DGCLKSJQSA-N 2 0 296.415 -0.252 20 0 CBADRP C[N@H+](CCNC(=O)NCC[NH+]1CC[C@H](O)C1)C1CC1 ZINC000636777016 357302837 /nfs/dbraw/zinc/30/28/37/357302837.db2.gz LDZQJHXSGGTQMO-LBPRGKRZSA-N 2 0 270.377 -0.554 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000636820714 357304530 /nfs/dbraw/zinc/30/45/30/357304530.db2.gz ZEIYQGTWTAIWHE-UONOGXRCSA-N 2 0 296.415 -0.164 20 0 CBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636075748 357261233 /nfs/dbraw/zinc/26/12/33/357261233.db2.gz DCXWOSQRRGKITE-CHWSQXEVSA-N 2 0 296.415 -0.093 20 0 CBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636075764 357261297 /nfs/dbraw/zinc/26/12/97/357261297.db2.gz DCXWOSQRRGKITE-STQMWFEESA-N 2 0 296.415 -0.093 20 0 CBADRP CN1CCOC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636278939 357275884 /nfs/dbraw/zinc/27/58/84/357275884.db2.gz CHVQUOZPLQDEQI-RYUDHWBXSA-N 2 0 255.362 -0.225 20 0 CBADRP [NH3+]C[C@]1(C(=O)NC[C@@H]2CCC[NH2+]C2)CCCOC1 ZINC000637815087 357369287 /nfs/dbraw/zinc/36/92/87/357369287.db2.gz RTPYNXVDIVPIKA-DGCLKSJQSA-N 2 0 255.362 -0.142 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000637813905 357369515 /nfs/dbraw/zinc/36/95/15/357369515.db2.gz TWFLEAAWTYHLLR-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000637814185 357369846 /nfs/dbraw/zinc/36/98/46/357369846.db2.gz IRIAFMUTQBSLSN-GMXVVIOVSA-N 2 0 255.362 -0.131 20 0 CBADRP COC[C@@]1(C(=O)N2CC[C@@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000637822902 357371630 /nfs/dbraw/zinc/37/16/30/357371630.db2.gz OCKITUUFQMBBSW-WCQYABFASA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2CCC[NH2+]2)cn1 ZINC000637827034 357371660 /nfs/dbraw/zinc/37/16/60/357371660.db2.gz MGEMKTKSHBMNON-LBPRGKRZSA-N 2 0 265.361 -0.074 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000637832535 357372664 /nfs/dbraw/zinc/37/26/64/357372664.db2.gz IJIZBYMEFMIMFD-XQQFMLRXSA-N 2 0 267.373 -0.035 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N(C)CCN2CC[NH2+]CC2)C1 ZINC000637833440 357374143 /nfs/dbraw/zinc/37/41/43/357374143.db2.gz RQQQKVYDFDRZIC-TZMCWYRMSA-N 2 0 284.404 -0.883 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637002662 357316457 /nfs/dbraw/zinc/31/64/57/357316457.db2.gz UGIANRQUVQGDLQ-GFCCVEGCSA-N 2 0 272.393 -0.258 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]2(C[NH3+])CCCOC2)C[C@H](C)[NH2+]1 ZINC000637841147 357374620 /nfs/dbraw/zinc/37/46/20/357374620.db2.gz RAYPTJMQRPQSNB-NTZNESFSSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CC[NH2+]1 ZINC000637843002 357374819 /nfs/dbraw/zinc/37/48/19/357374819.db2.gz YGAQCHNNUGGUGV-NSHDSACASA-N 2 0 265.361 -0.121 20 0 CBADRP COC[C@@]1(C(=O)N(C)[C@H]2CC[NH2+]C2)CCCC[NH2+]1 ZINC000637838087 357375225 /nfs/dbraw/zinc/37/52/25/357375225.db2.gz QQZIXENLMFRURG-WCQYABFASA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]2(C[NH3+])CCCOC2)C[C@@H](C)[NH2+]1 ZINC000637841148 357375355 /nfs/dbraw/zinc/37/53/55/357375355.db2.gz RAYPTJMQRPQSNB-WZRBSPASSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]2(C[NH3+])CCCOC2)CC[C@@H]1[NH3+] ZINC000637844546 357376081 /nfs/dbraw/zinc/37/60/81/357376081.db2.gz ISMBHTSVWLGYRP-MDZLAQPJSA-N 2 0 255.362 -0.062 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000637852730 357377035 /nfs/dbraw/zinc/37/70/35/357377035.db2.gz HSHSRRBONGDUKD-NWDGAFQWSA-N 2 0 254.378 -0.475 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000637850937 357377040 /nfs/dbraw/zinc/37/70/40/357377040.db2.gz MAGAINHOPNAODX-XZUYRWCXSA-N 2 0 255.362 -0.003 20 0 CBADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000637852729 357377357 /nfs/dbraw/zinc/37/73/57/357377357.db2.gz HSHSRRBONGDUKD-NEPJUHHUSA-N 2 0 254.378 -0.475 20 0 CBADRP [NH3+][C@H]1CC=C(C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000637797337 357364168 /nfs/dbraw/zinc/36/41/68/357364168.db2.gz DJNZGQAPYOZCPS-LBPRGKRZSA-N 2 0 252.362 -0.555 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000637799295 357365243 /nfs/dbraw/zinc/36/52/43/357365243.db2.gz XHSUTTGOZLUFEN-JSGCOSHPSA-N 2 0 284.404 -0.835 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000637798365 357365458 /nfs/dbraw/zinc/36/54/58/357365458.db2.gz XECIXYMIQJVMQK-CYBMUJFWSA-N 2 0 287.404 -0.079 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NC2CC[NH2+]CC2)cn1 ZINC000637799203 357365590 /nfs/dbraw/zinc/36/55/90/357365590.db2.gz VEYDGAOBDHGUAC-UHFFFAOYSA-N 2 0 265.361 -0.074 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000637804562 357366841 /nfs/dbraw/zinc/36/68/41/357366841.db2.gz DLOZTXWISGJWHG-CYBMUJFWSA-N 2 0 287.404 -0.161 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC2CC[NH2+]CC2)C1 ZINC000637805345 357367669 /nfs/dbraw/zinc/36/76/69/357367669.db2.gz LBDTYUGAHWOTLF-AAEUAGOBSA-N 2 0 255.362 -0.131 20 0 CBADRP [NH3+][C@H]1CC=C(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000638236473 357441713 /nfs/dbraw/zinc/44/17/13/357441713.db2.gz CSKGCCAYAWFFJD-STQMWFEESA-N 2 0 264.373 -0.460 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000638236288 357441767 /nfs/dbraw/zinc/44/17/67/357441767.db2.gz AUSMTSVZUUFUSC-KCQAQPDRSA-N 2 0 296.415 -0.741 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638058537 357407891 /nfs/dbraw/zinc/40/78/91/357407891.db2.gz QWOILWLWLYMVJI-DZGCQCFKSA-N 2 0 299.415 -0.162 20 0 CBADRP [NH3+]C[C@@]1(C(=O)NCCCC[NH+]2CCOCC2)CCCOC1 ZINC000638068240 357408967 /nfs/dbraw/zinc/40/89/67/357408967.db2.gz VYSNTEGGRPIXOO-HNNXBMFYSA-N 2 0 299.415 -0.030 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000638067503 357408992 /nfs/dbraw/zinc/40/89/92/357408992.db2.gz RITVDMYHVXGADG-ZFWWWQNUSA-N 2 0 299.415 -0.018 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638069909 357409287 /nfs/dbraw/zinc/40/92/87/357409287.db2.gz NIMQSFYLTAJANI-SDDRHHMPSA-N 2 0 255.362 -0.049 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638071419 357409390 /nfs/dbraw/zinc/40/93/90/357409390.db2.gz JJSWFGRZCHXCIX-CQSZACIVSA-N 2 0 287.404 -0.174 20 0 CBADRP C[C@@]1(C(=O)N2CC[NH+](CC3CC3)CC2)C[NH2+]CCO1 ZINC000638071555 357409409 /nfs/dbraw/zinc/40/94/09/357409409.db2.gz KEAHMSPRUJAMAS-AWEZNQCLSA-N 2 0 267.373 -0.081 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638071666 357411154 /nfs/dbraw/zinc/41/11/54/357411154.db2.gz HDVNZHPQXFVIQC-WCQYABFASA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)CN1CC[NH2+]CC1)C1CC1 ZINC000638076805 357412292 /nfs/dbraw/zinc/41/22/92/357412292.db2.gz NCMSCTYVMKEOMP-GFCCVEGCSA-N 2 0 254.378 -0.652 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638078156 357412684 /nfs/dbraw/zinc/41/26/84/357412684.db2.gz DVIORVTYXGBYBQ-DZGCQCFKSA-N 2 0 299.415 -0.020 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000638078185 357412854 /nfs/dbraw/zinc/41/28/54/357412854.db2.gz FAZCUKMSJPWKDX-NTZNESFSSA-N 2 0 255.362 -0.036 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000638081635 357412879 /nfs/dbraw/zinc/41/28/79/357412879.db2.gz BAKIKJAWVDGFBC-YPMHNXCESA-N 2 0 255.362 -0.036 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000638081633 357412899 /nfs/dbraw/zinc/41/28/99/357412899.db2.gz BAKIKJAWVDGFBC-DGCLKSJQSA-N 2 0 255.362 -0.036 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)CN1CC[NH2+]CC1 ZINC000638089194 357413256 /nfs/dbraw/zinc/41/32/56/357413256.db2.gz PBCCHQSWWGEFLI-UHFFFAOYSA-N 2 0 256.394 -0.260 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@]1(COC)CCCC[NH2+]1 ZINC000638092333 357414901 /nfs/dbraw/zinc/41/49/01/357414901.db2.gz XAGSUYIPAOGDAJ-AWEZNQCLSA-N 2 0 287.404 -0.161 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638099401 357416666 /nfs/dbraw/zinc/41/66/66/357416666.db2.gz HMGGKMJYTNZFCA-DGCLKSJQSA-N 2 0 271.361 -0.798 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC000638098912 357417210 /nfs/dbraw/zinc/41/72/10/357417210.db2.gz FAYFOTAWEJBBML-LBPRGKRZSA-N 2 0 255.362 -0.177 20 0 CBADRP CN(C(=O)CN1CC[NH2+]CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000638099642 357417565 /nfs/dbraw/zinc/41/75/65/357417565.db2.gz IGWJDRCEIPWORH-ZDUSSCGKSA-N 2 0 266.389 -0.413 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638099402 357417604 /nfs/dbraw/zinc/41/76/04/357417604.db2.gz HMGGKMJYTNZFCA-WCQYABFASA-N 2 0 271.361 -0.798 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000638103520 357417986 /nfs/dbraw/zinc/41/79/86/357417986.db2.gz PTAYZOSJFQHQGQ-TUAOUCFPSA-N 2 0 255.362 -0.219 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638102799 357418278 /nfs/dbraw/zinc/41/82/78/357418278.db2.gz WUJBCYMRRKQDGF-OCCSQVGLSA-N 2 0 285.388 -0.421 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000638112902 357420875 /nfs/dbraw/zinc/42/08/75/357420875.db2.gz WUJGGOVCLNCHII-GXTWGEPZSA-N 2 0 299.415 -0.020 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000638117955 357420984 /nfs/dbraw/zinc/42/09/84/357420984.db2.gz PWMSOTZDJCTPIX-ZIAGYGMSSA-N 2 0 298.431 -0.493 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638121668 357421453 /nfs/dbraw/zinc/42/14/53/357421453.db2.gz HTMQVSAQRRQJOM-GXTWGEPZSA-N 2 0 287.404 -0.162 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000638120730 357422098 /nfs/dbraw/zinc/42/20/98/357422098.db2.gz CAQBKOWRHCPDDT-AWEZNQCLSA-N 2 0 280.416 -0.164 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638124165 357422154 /nfs/dbraw/zinc/42/21/54/357422154.db2.gz SIYUYXCVQBZPKH-CYBMUJFWSA-N 2 0 273.377 -0.551 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638130548 357422805 /nfs/dbraw/zinc/42/28/05/357422805.db2.gz JWSFYNPROHSBMR-SDDRHHMPSA-N 2 0 255.362 -0.097 20 0 CBADRP C[C@]1(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)C[NH2+]CCO1 ZINC000638127364 357423250 /nfs/dbraw/zinc/42/32/50/357423250.db2.gz VGZDJLMPMBSFBP-UKRRQHHQSA-N 2 0 297.399 -0.454 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000638137620 357423871 /nfs/dbraw/zinc/42/38/71/357423871.db2.gz XDRJRNZNSBWHPW-LBPRGKRZSA-N 2 0 256.394 -0.262 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638134022 357424138 /nfs/dbraw/zinc/42/41/38/357424138.db2.gz LBNJGQRYYBAEQF-MPKXVKKWSA-N 2 0 267.373 -0.036 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638138016 357424220 /nfs/dbraw/zinc/42/42/20/357424220.db2.gz SYAWTJXAMNBLQL-ZDUSSCGKSA-N 2 0 266.389 -0.212 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638137820 357424419 /nfs/dbraw/zinc/42/44/19/357424419.db2.gz OVGRBAVNCZSCLD-HNNXBMFYSA-N 2 0 298.431 -0.504 20 0 CBADRP C[C@@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)C[NH+]1CCN(C)CC1 ZINC000638137517 357424423 /nfs/dbraw/zinc/42/44/23/357424423.db2.gz KLJWKUXEROIEGU-DZGCQCFKSA-N 2 0 298.431 -0.635 20 0 CBADRP CC[NH2+][C@H](C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000638138133 357424777 /nfs/dbraw/zinc/42/47/77/357424777.db2.gz WFLIMUFVEOLLJY-CHWSQXEVSA-N 2 0 270.421 -0.016 20 0 CBADRP C[C@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000638139959 357424877 /nfs/dbraw/zinc/42/48/77/357424877.db2.gz IJJLOJAOBHOWJE-DGCLKSJQSA-N 2 0 266.389 -0.214 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000638141709 357425016 /nfs/dbraw/zinc/42/50/16/357425016.db2.gz VIALLQNBSZNKQX-VNHYZAJKSA-N 2 0 298.431 -0.495 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000638141665 357425184 /nfs/dbraw/zinc/42/51/84/357425184.db2.gz UVXSJHLJYMSNAE-VNHYZAJKSA-N 2 0 298.431 -0.495 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638139017 357425256 /nfs/dbraw/zinc/42/52/56/357425256.db2.gz AVSCMOMTHISHMQ-GXTWGEPZSA-N 2 0 284.404 -0.883 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638138430 357425292 /nfs/dbraw/zinc/42/52/92/357425292.db2.gz AVAWFQWLAIZEMY-JSGCOSHPSA-N 2 0 284.404 -0.896 20 0 CBADRP CC[NH2+][C@H](C)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000638138135 357425464 /nfs/dbraw/zinc/42/54/64/357425464.db2.gz WFLIMUFVEOLLJY-QWHCGFSZSA-N 2 0 270.421 -0.016 20 0 CBADRP CC[NH2+][C@H](C)C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000638141058 357425537 /nfs/dbraw/zinc/42/55/37/357425537.db2.gz RCWUCRYHOFESAG-VXGBXAGGSA-N 2 0 256.394 -0.264 20 0 CBADRP [NH3+]C[C@]1(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CCCOC1 ZINC000638247538 357443048 /nfs/dbraw/zinc/44/30/48/357443048.db2.gz NZOVNLROWZKSPW-YRGRVCCFSA-N 2 0 267.373 -0.048 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000638151876 357426612 /nfs/dbraw/zinc/42/66/12/357426612.db2.gz GGIUTEXRVSTDFA-NEPJUHHUSA-N 2 0 271.361 -0.798 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000638151885 357426638 /nfs/dbraw/zinc/42/66/38/357426638.db2.gz GGIUTEXRVSTDFA-VXGBXAGGSA-N 2 0 271.361 -0.798 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000638146589 357426647 /nfs/dbraw/zinc/42/66/47/357426647.db2.gz UUDABNVGWZPKHC-KGLIPLIRSA-N 2 0 280.416 -0.118 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)CN1CC[NH2+]CC1 ZINC000638158635 357427840 /nfs/dbraw/zinc/42/78/40/357427840.db2.gz KKCOMHFECNDVCI-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP C[C@@]1(CNC(=O)CN2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000638162166 357428314 /nfs/dbraw/zinc/42/83/14/357428314.db2.gz DPRDEPVJIIBNQR-CYBMUJFWSA-N 2 0 254.378 -0.603 20 0 CBADRP [NH3+]CCOc1ccc(NC(=O)CN2CC[NH2+]CC2)cc1 ZINC000638160348 357428541 /nfs/dbraw/zinc/42/85/41/357428541.db2.gz FPZXYIBMTVULMW-UHFFFAOYSA-N 2 0 278.356 -0.132 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@H]21 ZINC000638164983 357429080 /nfs/dbraw/zinc/42/90/80/357429080.db2.gz LBSAHBXVWJRKOP-YNEHKIRRSA-N 2 0 266.389 -0.523 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000638168483 357430054 /nfs/dbraw/zinc/43/00/54/357430054.db2.gz ANYZRPPEPJYUEL-YUTCNCBUSA-N 2 0 267.373 -0.035 20 0 CBADRP CN(C(=O)[C@]1(C)C[NH2+]CCO1)C1CC[NH+](C)CC1 ZINC000638168012 357430278 /nfs/dbraw/zinc/43/02/78/357430278.db2.gz BCGPPRZGILLWEX-ZDUSSCGKSA-N 2 0 255.362 -0.083 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000638168481 357430295 /nfs/dbraw/zinc/43/02/95/357430295.db2.gz ANYZRPPEPJYUEL-IACUBPJLSA-N 2 0 267.373 -0.035 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000638169481 357430640 /nfs/dbraw/zinc/43/06/40/357430640.db2.gz AWEIYWOLWFXTHG-GFCCVEGCSA-N 2 0 285.388 -0.469 20 0 CBADRP [NH3+]C[C@]1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCCOC1 ZINC000638168513 357430693 /nfs/dbraw/zinc/43/06/93/357430693.db2.gz BAIWQUXZEJSZKK-ZIAGYGMSSA-N 2 0 267.373 -0.046 20 0 CBADRP COc1cccc([C@@H]([NH3+])C(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000638173295 357430878 /nfs/dbraw/zinc/43/08/78/357430878.db2.gz VNOXVGCQZKLZOB-CHWSQXEVSA-N 2 0 279.340 -0.119 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000638178722 357431999 /nfs/dbraw/zinc/43/19/99/357431999.db2.gz PCUZFOKHWOHMFD-BLFANLJRSA-N 2 0 255.362 -0.132 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000638246691 357443417 /nfs/dbraw/zinc/44/34/17/357443417.db2.gz DGCNNSJWKNHVRM-QFOLPQNPSA-N 2 0 259.325 -0.430 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000638178724 357432430 /nfs/dbraw/zinc/43/24/30/357432430.db2.gz PCUZFOKHWOHMFD-XZUYRWCXSA-N 2 0 255.362 -0.132 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000638176314 357432617 /nfs/dbraw/zinc/43/26/17/357432617.db2.gz VILCYRHYCQSYDR-WCQYABFASA-N 2 0 253.346 -0.211 20 0 CBADRP C[C@H](C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[NH+](C)C ZINC000638210056 357434721 /nfs/dbraw/zinc/43/47/21/357434721.db2.gz MFLVAYNGTKHNNY-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H](C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[NH+](C)C ZINC000638220484 357435800 /nfs/dbraw/zinc/43/58/00/357435800.db2.gz QRSHHCQZESSXJO-NXEZZACHSA-N 2 0 296.337 -0.111 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000638220769 357435867 /nfs/dbraw/zinc/43/58/67/357435867.db2.gz SFAFEQZTAKNCEV-UHTWSYAYSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000638219261 357436053 /nfs/dbraw/zinc/43/60/53/357436053.db2.gz JHKFEMBJXUHTNK-VHSXEESVSA-N 2 0 296.337 -0.063 20 0 CBADRP C[C@]1(C(=O)N2CCC[C@H](CC[NH3+])C2)C[NH2+]CCO1 ZINC000638218939 357436232 /nfs/dbraw/zinc/43/62/32/357436232.db2.gz UUGLRJRHBPMNBD-DGCLKSJQSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638221200 357436501 /nfs/dbraw/zinc/43/65/01/357436501.db2.gz VRVADNFMKAAOHA-OLZOCXBDSA-N 2 0 255.362 -0.061 20 0 CBADRP COCC1(CNC(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC[NH2+]CC1 ZINC000638224010 357436628 /nfs/dbraw/zinc/43/66/28/357436628.db2.gz CLXLWYDXJYKCAS-OCCSQVGLSA-N 2 0 299.415 -0.114 20 0 CBADRP [NH3+]C[C@]1(C(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)CCCOC1 ZINC000638228452 357438148 /nfs/dbraw/zinc/43/81/48/357438148.db2.gz WHMZSUPBJYJRAP-YRGRVCCFSA-N 2 0 283.372 -0.669 20 0 CBADRP [NH3+]C[C@]1(C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)CCCOC1 ZINC000638228450 357438399 /nfs/dbraw/zinc/43/83/99/357438399.db2.gz WHMZSUPBJYJRAP-SGMGOOAPSA-N 2 0 283.372 -0.669 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)C1 ZINC000638229264 357439110 /nfs/dbraw/zinc/43/91/10/357439110.db2.gz ISFZNKVWBWVMIP-SFTQSGBHSA-N 2 0 283.372 -0.657 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)C1 ZINC000638229262 357439405 /nfs/dbraw/zinc/43/94/05/357439405.db2.gz ISFZNKVWBWVMIP-MNXVOIDGSA-N 2 0 283.372 -0.657 20 0 CBADRP COC[C@]1(CNC(=O)[C@]2(C)C[NH2+]CCO2)CCC[NH2+]1 ZINC000638229138 357439672 /nfs/dbraw/zinc/43/96/72/357439672.db2.gz CRFCDFCLKVENJR-QWHCGFSZSA-N 2 0 271.361 -0.750 20 0 CBADRP COC[C@@]1(CNC(=O)[C@@]2(C)C[NH2+]CCO2)CCC[NH2+]1 ZINC000638229136 357439688 /nfs/dbraw/zinc/43/96/88/357439688.db2.gz CRFCDFCLKVENJR-OLZOCXBDSA-N 2 0 271.361 -0.750 20 0 CBADRP COC[C@]1(CNC(=O)[C@]2(C[NH3+])CCCOC2)CCC[NH2+]1 ZINC000638232402 357439968 /nfs/dbraw/zinc/43/99/68/357439968.db2.gz SCVKQHMHDYQUFV-UONOGXRCSA-N 2 0 285.388 -0.373 20 0 CBADRP [NH3+][C@@H]1CC=C(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000638231057 357440111 /nfs/dbraw/zinc/44/01/11/357440111.db2.gz ZEDASHFIROODPC-CHWSQXEVSA-N 2 0 264.373 -0.460 20 0 CBADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000637864158 357379481 /nfs/dbraw/zinc/37/94/81/357379481.db2.gz NTQKNYHRHXMLBR-RYUDHWBXSA-N 2 0 256.394 -0.149 20 0 CBADRP COC[C@]1(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CCCC[NH2+]1 ZINC000637868667 357380474 /nfs/dbraw/zinc/38/04/74/357380474.db2.gz YQUVIEVZLUHPOT-SCRDCRAPSA-N 2 0 285.388 -0.280 20 0 CBADRP CO[C@@]1(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCOC1 ZINC000638571634 357495398 /nfs/dbraw/zinc/49/53/98/357495398.db2.gz NQDBEFVAQUYFAN-UKRRQHHQSA-N 2 0 299.415 -0.031 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000638572513 357495569 /nfs/dbraw/zinc/49/55/69/357495569.db2.gz NASPYYQTZVEOSK-QJPTWQEYSA-N 2 0 282.388 -0.499 20 0 CBADRP CO[C@@]1(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCOC1 ZINC000638571632 357495763 /nfs/dbraw/zinc/49/57/63/357495763.db2.gz NQDBEFVAQUYFAN-DZGCQCFKSA-N 2 0 299.415 -0.031 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638575585 357496730 /nfs/dbraw/zinc/49/67/30/357496730.db2.gz PWIOYFHCPDCOQO-PWSUYJOCSA-N 2 0 259.350 -0.894 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000638576869 357497110 /nfs/dbraw/zinc/49/71/10/357497110.db2.gz REDBPBBATMNKCC-VXGBXAGGSA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000638576868 357497339 /nfs/dbraw/zinc/49/73/39/357497339.db2.gz REDBPBBATMNKCC-RYUDHWBXSA-N 2 0 255.362 -0.131 20 0 CBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCOCC[NH2+]C)C1(C)C ZINC000638579084 357497646 /nfs/dbraw/zinc/49/76/46/357497646.db2.gz LZCMAWQLHGYSPL-RISCZKNCSA-N 2 0 287.404 -0.129 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000638585159 357498793 /nfs/dbraw/zinc/49/87/93/357498793.db2.gz UMVWDPWEJOWXDO-ZDUSSCGKSA-N 2 0 265.357 -0.091 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000638591813 357499504 /nfs/dbraw/zinc/49/95/04/357499504.db2.gz MGXFBQXGIJAFOG-WCQYABFASA-N 2 0 255.362 -0.320 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000638594858 357500275 /nfs/dbraw/zinc/50/02/75/357500275.db2.gz NLVCNUNGUUEZDB-UHFFFAOYSA-N 2 0 297.403 -0.247 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000638595182 357500447 /nfs/dbraw/zinc/50/04/47/357500447.db2.gz YXFUQVWXSZUWME-WDEREUQCSA-N 2 0 259.350 -0.955 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000638595178 357500457 /nfs/dbraw/zinc/50/04/57/357500457.db2.gz YXFUQVWXSZUWME-GHMZBOCLSA-N 2 0 259.350 -0.955 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000638595180 357500468 /nfs/dbraw/zinc/50/04/68/357500468.db2.gz YXFUQVWXSZUWME-MNOVXSKESA-N 2 0 259.350 -0.955 20 0 CBADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000638610295 357502811 /nfs/dbraw/zinc/50/28/11/357502811.db2.gz BUKXOAZLRHFTDF-GXTWGEPZSA-N 2 0 293.367 -0.330 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]2COCC[NH2+]2)CCCC[NH2+]1 ZINC000638612226 357503436 /nfs/dbraw/zinc/50/34/36/357503436.db2.gz NUHJORPJOVNSDP-AAEUAGOBSA-N 2 0 271.361 -0.750 20 0 CBADRP [NH3+]C[C@@H](C(=O)NC[C@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000638615788 357506178 /nfs/dbraw/zinc/50/61/78/357506178.db2.gz HHLGHCUTVLDKDA-QWHCGFSZSA-N 2 0 281.331 -0.027 20 0 CBADRP CC1CC[NH+](CC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000638615530 357506823 /nfs/dbraw/zinc/50/68/23/357506823.db2.gz DIZQLQCEPPUKBV-LBPRGKRZSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@]1(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)C[NH2+]CCO1 ZINC000638262046 357445202 /nfs/dbraw/zinc/44/52/02/357445202.db2.gz KMCXYIXLKXDSNZ-JSGCOSHPSA-N 2 0 297.399 -0.421 20 0 CBADRP C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)[C@H](C)[NH3+] ZINC000638257793 357445487 /nfs/dbraw/zinc/44/54/87/357445487.db2.gz WWLBXNSYLILEPV-VHSXEESVSA-N 2 0 253.350 -0.090 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NCCC[C@H]1CCC[NH2+]1 ZINC000638267750 357445983 /nfs/dbraw/zinc/44/59/83/357445983.db2.gz UOHRAJAXYXZVCS-GFCCVEGCSA-N 2 0 254.378 -0.460 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]2C[NH2+]CCCO2)CCCC[NH2+]1 ZINC000638263759 357446411 /nfs/dbraw/zinc/44/64/11/357446411.db2.gz CMWIZGRVWKWRCT-OCCSQVGLSA-N 2 0 285.388 -0.360 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638274374 357448691 /nfs/dbraw/zinc/44/86/91/357448691.db2.gz NQYCCMSRAQHNFX-UKRRQHHQSA-N 2 0 299.415 -0.066 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CN1CC[NH2+]CC1 ZINC000638284447 357452077 /nfs/dbraw/zinc/45/20/77/357452077.db2.gz GVHVRICKZLAEKM-CHWSQXEVSA-N 2 0 268.405 -0.310 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000638326534 357457982 /nfs/dbraw/zinc/45/79/82/357457982.db2.gz ZUVYOOYOFDRLRL-JLNYLFASSA-N 2 0 297.399 -0.315 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000638326536 357458279 /nfs/dbraw/zinc/45/82/79/357458279.db2.gz ZUVYOOYOFDRLRL-XPCVCDNBSA-N 2 0 297.399 -0.315 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H]2C[NH2+]CCO2)CCCC[NH2+]1 ZINC000638336995 357459479 /nfs/dbraw/zinc/45/94/79/357459479.db2.gz ANHXDEVKLTVCGS-WCQYABFASA-N 2 0 271.361 -0.750 20 0 CBADRP COc1cccc([C@H]([NH3+])C(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000638337396 357459841 /nfs/dbraw/zinc/45/98/41/357459841.db2.gz FXNMGMXIDDJPLS-OLZOCXBDSA-N 2 0 279.340 -0.200 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[NH2+]CCO2)cn1 ZINC000638338360 357460361 /nfs/dbraw/zinc/46/03/61/357460361.db2.gz WOUNHFCJRYSAFW-GFCCVEGCSA-N 2 0 281.360 -0.837 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000638344715 357460395 /nfs/dbraw/zinc/46/03/95/357460395.db2.gz VBMSUOUCRQQXMH-NQBHXWOUSA-N 2 0 255.362 -0.192 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000638343942 357460593 /nfs/dbraw/zinc/46/05/93/357460593.db2.gz PZSNTONNZGADTM-VXGBXAGGSA-N 2 0 255.362 -0.096 20 0 CBADRP COC[C@@]1(C(=O)N2CCCO[C@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000638341873 357460852 /nfs/dbraw/zinc/46/08/52/357460852.db2.gz CPEIWFBWOCURBN-TZMCWYRMSA-N 2 0 285.388 -0.279 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638386303 357464972 /nfs/dbraw/zinc/46/49/72/357464972.db2.gz KFPHRKAMVTWTPW-AWEZNQCLSA-N 2 0 285.388 -0.408 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638385493 357465141 /nfs/dbraw/zinc/46/51/41/357465141.db2.gz DPQOESLLOUOLLK-HNNXBMFYSA-N 2 0 299.415 -0.031 20 0 CBADRP CCO[C@@H]1CN(C(=O)CCC2C[NH2+]C2)C[C@H]1C[NH3+] ZINC000638389071 357465999 /nfs/dbraw/zinc/46/59/99/357465999.db2.gz DDAFNLDFGFZRTD-VXGBXAGGSA-N 2 0 255.362 -0.192 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000638387544 357466004 /nfs/dbraw/zinc/46/60/04/357466004.db2.gz FNHFGCDJGYJQSK-ZYHUDNBSSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]Cc1ccc(CNC(=O)CN2CC[NH2+]CC2)c(F)c1 ZINC000638388260 357466041 /nfs/dbraw/zinc/46/60/41/357466041.db2.gz AZFAESPVOPFWMD-UHFFFAOYSA-N 2 0 280.347 -0.194 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@]2(COC)CCCC[NH2+]2)C[C@H]1C[NH3+] ZINC000638392602 357466966 /nfs/dbraw/zinc/46/69/66/357466966.db2.gz ZVQNHIIBGSTVII-UMVBOHGHSA-N 2 0 299.415 -0.033 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000638404943 357469836 /nfs/dbraw/zinc/46/98/36/357469836.db2.gz QDPYLTHEGZNOKS-LBPRGKRZSA-N 2 0 268.405 -0.119 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000638414377 357472163 /nfs/dbraw/zinc/47/21/63/357472163.db2.gz OVITXHPUOWDUSK-NSHDSACASA-N 2 0 272.393 -0.537 20 0 CBADRP [NH3+]C[C@]1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CCCOC1 ZINC000638423959 357473186 /nfs/dbraw/zinc/47/31/86/357473186.db2.gz CRQFZLWNCRHSNV-UKRRQHHQSA-N 2 0 296.415 -0.752 20 0 CBADRP C[C@@]1(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[NH2+]CCO1 ZINC000638424183 357473426 /nfs/dbraw/zinc/47/34/26/357473426.db2.gz JEFVUSXBSLTDJA-ZFWWWQNUSA-N 2 0 297.399 -0.266 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N[C@@]2(C)CC[NH2+]C2)cn1 ZINC000638441647 357477683 /nfs/dbraw/zinc/47/76/83/357477683.db2.gz YKNMBVMCZLYMSQ-ZDUSSCGKSA-N 2 0 265.361 -0.074 20 0 CBADRP CC(C)(C[NH3+])C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638476232 357482062 /nfs/dbraw/zinc/48/20/62/357482062.db2.gz BQJTVARWRRPZLK-UHFFFAOYSA-N 2 0 297.403 -0.859 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000638484123 357482950 /nfs/dbraw/zinc/48/29/50/357482950.db2.gz OLSIWTPYJYPMDA-NEPJUHHUSA-N 2 0 255.362 -0.179 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638485677 357482971 /nfs/dbraw/zinc/48/29/71/357482971.db2.gz MJRDOHYLBCFQOU-LBPRGKRZSA-N 2 0 297.403 -0.846 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638480756 357483333 /nfs/dbraw/zinc/48/33/33/357483333.db2.gz YWBBJRUGBQWTAM-LBPRGKRZSA-N 2 0 297.403 -0.717 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000638492376 357484030 /nfs/dbraw/zinc/48/40/30/357484030.db2.gz OREPZTPZYNXJSM-VXGBXAGGSA-N 3 0 256.394 -0.278 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000638499096 357488502 /nfs/dbraw/zinc/48/85/02/357488502.db2.gz YETAHCKJRCWMDV-WYUUTHIRSA-N 2 0 280.372 -0.807 20 0 CBADRP [NH3+][C@H](Cc1ccccc1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638623220 357511260 /nfs/dbraw/zinc/51/12/60/357511260.db2.gz AFVLPKFOOKKNCX-QWHCGFSZSA-N 2 0 263.341 -0.339 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638505593 357490729 /nfs/dbraw/zinc/49/07/29/357490729.db2.gz MOVVQDJHGOKPIR-GHMZBOCLSA-N 2 0 280.372 -0.745 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000638509184 357490773 /nfs/dbraw/zinc/49/07/73/357490773.db2.gz RRSNSAZQZWLNTM-MXWKQRLJSA-N 2 0 253.346 -0.236 20 0 CBADRP C[C@]1(C(=O)N[C@H]2CC[NH2+]C23CCC3)C[NH2+]CCO1 ZINC000638513995 357492054 /nfs/dbraw/zinc/49/20/54/357492054.db2.gz PZNHKZOCAWXSGY-CMPLNLGQSA-N 2 0 253.346 -0.234 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638623221 357511421 /nfs/dbraw/zinc/51/14/21/357511421.db2.gz AFVLPKFOOKKNCX-STQMWFEESA-N 2 0 263.341 -0.339 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000638540341 357493471 /nfs/dbraw/zinc/49/34/71/357493471.db2.gz ORMFPWDTEPPWJV-GHMZBOCLSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000638540342 357493615 /nfs/dbraw/zinc/49/36/15/357493615.db2.gz ORMFPWDTEPPWJV-MNOVXSKESA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638623219 357511501 /nfs/dbraw/zinc/51/15/01/357511501.db2.gz AFVLPKFOOKKNCX-OLZOCXBDSA-N 2 0 263.341 -0.339 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000638536657 357493633 /nfs/dbraw/zinc/49/36/33/357493633.db2.gz RRFNEXPLKSGVJO-NQBHXWOUSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)C[NH2+]1 ZINC000638642465 357514611 /nfs/dbraw/zinc/51/46/11/357514611.db2.gz HDQKBMDHQHBRSI-NXEZZACHSA-N 2 0 266.349 -0.503 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC000638642728 357514826 /nfs/dbraw/zinc/51/48/26/357514826.db2.gz JNPZSRXXJHRDAN-UTUOFQBUSA-N 2 0 282.388 -0.499 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C[NH2+]1 ZINC000638641499 357515101 /nfs/dbraw/zinc/51/51/01/357515101.db2.gz DADRUYNQSAYGIA-XZUYRWCXSA-N 2 0 253.346 -0.521 20 0 CBADRP [NH3+]CCCOCCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000638656634 357516270 /nfs/dbraw/zinc/51/62/70/357516270.db2.gz IUQMSNBYFLWCPO-NSHDSACASA-N 2 0 259.350 -0.763 20 0 CBADRP [NH3+]CCCOCCNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000638656161 357516370 /nfs/dbraw/zinc/51/63/70/357516370.db2.gz DPAVDYYGKYAKPL-UHFFFAOYSA-N 2 0 277.368 -0.036 20 0 CBADRP [NH3+]CCCOCCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000638661612 357517066 /nfs/dbraw/zinc/51/70/66/357517066.db2.gz BJLWJHJHNKRHTQ-RYUDHWBXSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]CCCOCCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000638662964 357517531 /nfs/dbraw/zinc/51/75/31/357517531.db2.gz HUFBOMYCDWUKFV-DGCLKSJQSA-N 2 0 255.362 -0.142 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000638672075 357518155 /nfs/dbraw/zinc/51/81/55/357518155.db2.gz CDYZLSRFTTUPIX-NEPJUHHUSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CCCOCCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000638663322 357518190 /nfs/dbraw/zinc/51/81/90/357518190.db2.gz LUTSINXOAUVXRV-JTQLQIEISA-N 2 0 261.391 -0.437 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCCOCCC[NH3+] ZINC000638664574 357518353 /nfs/dbraw/zinc/51/83/53/357518353.db2.gz QICVWWXYRMDKBN-UHFFFAOYSA-N 2 0 287.404 -0.174 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000638672079 357518359 /nfs/dbraw/zinc/51/83/59/357518359.db2.gz CDYZLSRFTTUPIX-VXGBXAGGSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000638680610 357520946 /nfs/dbraw/zinc/52/09/46/357520946.db2.gz UQXMXKZNSJQRBG-ZDUSSCGKSA-N 2 0 265.357 -0.010 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638776976 357528285 /nfs/dbraw/zinc/52/82/85/357528285.db2.gz AHCPRLWGSZVJLG-ZIAGYGMSSA-N 2 0 297.399 -0.408 20 0 CBADRP [NH3+]CCOCC(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000638803808 357532969 /nfs/dbraw/zinc/53/29/69/357532969.db2.gz OYYYOSLQDIIADU-UHFFFAOYSA-N 2 0 265.313 -0.154 20 0 CBADRP CO[C@@H]1CN(C(=O)CCC2C[NH2+]C2)[C@@](C)(C[NH3+])C1 ZINC000638862698 357539049 /nfs/dbraw/zinc/53/90/49/357539049.db2.gz HDUMQWHNMVAZRI-WCQYABFASA-N 2 0 255.362 -0.049 20 0 CBADRP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[NH2+]CC1 ZINC000638910453 357541876 /nfs/dbraw/zinc/54/18/76/357541876.db2.gz REIRFVHSKKRSKJ-QWRGUYRKSA-N 2 0 252.362 -0.757 20 0 CBADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914898 357542649 /nfs/dbraw/zinc/54/26/49/357542649.db2.gz JOWUFEMTQHVRBK-XQQFMLRXSA-N 2 0 275.356 -0.006 20 0 CBADRP O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925329 357544280 /nfs/dbraw/zinc/54/42/80/357544280.db2.gz NFTXMXFDJZCCAS-SDDRHHMPSA-N 2 0 290.371 -0.394 20 0 CBADRP CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1 ZINC000638918639 357544575 /nfs/dbraw/zinc/54/45/75/357544575.db2.gz BALRYWGTFVFTSP-TXEJJXNPSA-N 2 0 266.389 -0.367 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638933709 357545346 /nfs/dbraw/zinc/54/53/46/357545346.db2.gz ZDMZJLCCVQMHEX-CHWSQXEVSA-N 2 0 287.404 -0.081 20 0 CBADRP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638940791 357546142 /nfs/dbraw/zinc/54/61/42/357546142.db2.gz SCYPEYXLMXPPRC-GRYCIOLGSA-N 2 0 290.371 -0.221 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@@H](C[NH3+])CC1 ZINC000638950139 357546811 /nfs/dbraw/zinc/54/68/11/357546811.db2.gz HNLHFJXUBZOGGU-KKOKHZNYSA-N 2 0 255.362 -0.016 20 0 CBADRP C[C@@]1(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C[NH2+]CCO1 ZINC000638951436 357546923 /nfs/dbraw/zinc/54/69/23/357546923.db2.gz YVBRMLQNWMXZCB-GVXVVHGQSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[C@@H](C[NH3+])CC1 ZINC000638950138 357546941 /nfs/dbraw/zinc/54/69/41/357546941.db2.gz HNLHFJXUBZOGGU-FIQHERPVSA-N 2 0 255.362 -0.016 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639020876 357553913 /nfs/dbraw/zinc/55/39/13/357553913.db2.gz GCPYHXNMNCZIBC-IJLUTSLNSA-N 2 0 253.346 -0.425 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639026068 357554076 /nfs/dbraw/zinc/55/40/76/357554076.db2.gz XDTDDIMHOAFMMU-SDDRHHMPSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639028241 357554957 /nfs/dbraw/zinc/55/49/57/357554957.db2.gz XQOGDUZFFDFUPO-XQQFMLRXSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+][C@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000639031135 357555095 /nfs/dbraw/zinc/55/50/95/357555095.db2.gz HYZPRVBHIIILSL-ZPFDUUQYSA-N 2 0 253.346 -0.392 20 0 CBADRP CC[C@H]1C[N@H+](C)CCN1Cc1cnc(N)nc1N ZINC000639211604 357561488 /nfs/dbraw/zinc/56/14/88/357561488.db2.gz PNZZLMCILAZPGW-JTQLQIEISA-N 2 0 250.350 -0.172 20 0 CBADRP C[C@@H]1CN(Cc2cnc(N)nc2N)C[C@H](C)[N@H+]1C ZINC000639209143 357561890 /nfs/dbraw/zinc/56/18/90/357561890.db2.gz NTYZDAIQNRTWLB-DTORHVGOSA-N 2 0 250.350 -0.174 20 0 CBADRP NC(=O)[C@H]1C[NH+](CCC[NH+]2CCCCC2)C[C@@H]1C(N)=O ZINC000639843382 357603328 /nfs/dbraw/zinc/60/33/28/357603328.db2.gz FGUMCFCNTRVCCT-RYUDHWBXSA-N 2 0 282.388 -0.619 20 0 CBADRP CC[NH+](CC)CCC[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639845472 357604350 /nfs/dbraw/zinc/60/43/50/357604350.db2.gz LXTVEJXFUAFYPO-GHMZBOCLSA-N 2 0 270.377 -0.763 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000641194525 357678433 /nfs/dbraw/zinc/67/84/33/357678433.db2.gz NSXYFCNMJCIKRT-TUAOUCFPSA-N 2 0 269.393 -0.459 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000574042752 334987318 /nfs/dbraw/zinc/98/73/18/334987318.db2.gz CENQQVBLNMBHMH-TXEJJXNPSA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000641412962 357702055 /nfs/dbraw/zinc/70/20/55/357702055.db2.gz CQFDWPOTILWHFZ-LLVKDONJSA-N 3 0 259.398 -0.532 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000641425252 357704617 /nfs/dbraw/zinc/70/46/17/357704617.db2.gz NPNVOXKRRNZFON-GFCCVEGCSA-N 2 0 297.403 -0.717 20 0 CBADRP C[C@H]([NH3+])CNC(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000641425024 357704765 /nfs/dbraw/zinc/70/47/65/357704765.db2.gz NHZOMNLOUUOJKA-LBPRGKRZSA-N 2 0 273.425 -0.142 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000642999930 357775529 /nfs/dbraw/zinc/77/55/29/357775529.db2.gz OLJBWLQYKFDENF-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP NS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000641798639 357743331 /nfs/dbraw/zinc/74/33/31/357743331.db2.gz PAMNNRPTOWNENK-GARJFASQSA-N 2 0 261.391 -0.276 20 0 CBADRP COCCCS(=O)(=O)NCC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641802076 357744378 /nfs/dbraw/zinc/74/43/78/357744378.db2.gz HNCLJHQLPVTSKM-WDEREUQCSA-N 2 0 293.433 -0.342 20 0 CBADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000641995226 357749618 /nfs/dbraw/zinc/74/96/18/357749618.db2.gz LJBNVHWSDHIIND-ZIAGYGMSSA-N 2 0 297.447 -0.128 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000642056063 357749787 /nfs/dbraw/zinc/74/97/87/357749787.db2.gz VVESQGFNRIIGDX-NSHDSACASA-N 2 0 284.404 -0.312 20 0 CBADRP O=C(NCCC[NH+]1CCCCC1)C(=O)NCC[NH2+]C1CC1 ZINC000642298203 357752247 /nfs/dbraw/zinc/75/22/47/357752247.db2.gz PBTPIVSGDLVGFR-UHFFFAOYSA-N 2 0 296.415 -0.153 20 0 CBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000642431140 357753989 /nfs/dbraw/zinc/75/39/89/357753989.db2.gz FHPUDYXIRMLGBY-LBPRGKRZSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642431208 357754350 /nfs/dbraw/zinc/75/43/50/357754350.db2.gz WOYZXRIWIZBLBO-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642439936 357755192 /nfs/dbraw/zinc/75/51/92/357755192.db2.gz SIBRXZKRYVRAPY-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000642439402 357755373 /nfs/dbraw/zinc/75/53/73/357755373.db2.gz FTKWEIPOKSRMRO-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000642439662 357755389 /nfs/dbraw/zinc/75/53/89/357755389.db2.gz NCUWNCSOBUAAQO-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000642535628 357756700 /nfs/dbraw/zinc/75/67/00/357756700.db2.gz UCNWQYOJWQIRJY-NWDGAFQWSA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642537983 357756723 /nfs/dbraw/zinc/75/67/23/357756723.db2.gz OPXOQNXSGSGZIO-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC[NH2+]1 ZINC000642537957 357756766 /nfs/dbraw/zinc/75/67/66/357756766.db2.gz LIBRHMMHKQJBKY-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])[NH+]1CCC(C)CC1 ZINC000642644466 357758037 /nfs/dbraw/zinc/75/80/37/357758037.db2.gz MRULRRHKUMCCRA-NWDGAFQWSA-N 2 0 284.404 -0.314 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642712986 357759097 /nfs/dbraw/zinc/75/90/97/357759097.db2.gz ANBXBVUMVMFZQF-JTQLQIEISA-N 2 0 258.366 -0.702 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000642718688 357759736 /nfs/dbraw/zinc/75/97/36/357759736.db2.gz HHELTBONFWNCJD-DMDPSCGWSA-N 2 0 294.399 -0.594 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC[NH2+]1 ZINC000642785862 357761913 /nfs/dbraw/zinc/76/19/13/357761913.db2.gz OLRKOBNEAAFYMP-AAEUAGOBSA-N 2 0 294.399 -0.593 20 0 CBADRP [NH3+][C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000642785843 357762636 /nfs/dbraw/zinc/76/26/36/357762636.db2.gz MSNWDOWVSBVUAS-OLZOCXBDSA-N 2 0 294.399 -0.560 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642808194 357763731 /nfs/dbraw/zinc/76/37/31/357763731.db2.gz HABSJSVZKKIERN-JTQLQIEISA-N 2 0 258.366 -0.702 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000642801262 357763818 /nfs/dbraw/zinc/76/38/18/357763818.db2.gz UIDYCJOVDLMCPV-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642801227 357763849 /nfs/dbraw/zinc/76/38/49/357763849.db2.gz JSJLWUZBBIMBIO-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCC1 ZINC000642887379 357764891 /nfs/dbraw/zinc/76/48/91/357764891.db2.gz PHAFHSAZWCHIBY-NWDGAFQWSA-N 2 0 294.399 -0.273 20 0 CBADRP O=C(NCC[NH2+]C1CC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000642887427 357764932 /nfs/dbraw/zinc/76/49/32/357764932.db2.gz XDBCMGFMPAJWAA-OLZOCXBDSA-N 2 0 294.399 -0.402 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642902394 357765856 /nfs/dbraw/zinc/76/58/56/357765856.db2.gz RJRSDQCCMNBHMZ-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000642904363 357766247 /nfs/dbraw/zinc/76/62/47/357766247.db2.gz UOABEOLSMRBNNC-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000642909548 357767248 /nfs/dbraw/zinc/76/72/48/357767248.db2.gz PABJKDWAGRQQRB-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000642909549 357767440 /nfs/dbraw/zinc/76/74/40/357767440.db2.gz PABJKDWAGRQQRB-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000642909754 357767591 /nfs/dbraw/zinc/76/75/91/357767591.db2.gz STIAIBHUFBBNIS-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000642909329 357767663 /nfs/dbraw/zinc/76/76/63/357767663.db2.gz KTRWIBOKFGAIFZ-QJPTWQEYSA-N 2 0 284.404 -0.171 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000642911760 357768366 /nfs/dbraw/zinc/76/83/66/357768366.db2.gz XINFQMNWGNTIMH-TUAOUCFPSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000642909928 357768519 /nfs/dbraw/zinc/76/85/19/357768519.db2.gz XPUIQYSMCODDLE-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000642910014 357768786 /nfs/dbraw/zinc/76/87/86/357768786.db2.gz YFWQHKAQRXOBDG-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000642910503 357768923 /nfs/dbraw/zinc/76/89/23/357768923.db2.gz HPSRGBCDOGEFAX-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000642913911 357769298 /nfs/dbraw/zinc/76/92/98/357769298.db2.gz RVFGARAOSGOULV-GFCCVEGCSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000642914847 357769735 /nfs/dbraw/zinc/76/97/35/357769735.db2.gz OKMQDUUVNLIYNW-QWHCGFSZSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642919126 357770353 /nfs/dbraw/zinc/77/03/53/357770353.db2.gz OZGBCWMISXHAQD-LBPRGKRZSA-N 2 0 282.388 -0.593 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000642929592 357771227 /nfs/dbraw/zinc/77/12/27/357771227.db2.gz FNZHQCKUNFKRCK-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000642929590 357771249 /nfs/dbraw/zinc/77/12/49/357771249.db2.gz FNZHQCKUNFKRCK-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP O=C(NC1C[NH2+]C1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000642925944 357771667 /nfs/dbraw/zinc/77/16/67/357771667.db2.gz ZZYJJKQWOITEDJ-LBPRGKRZSA-N 2 0 280.372 -0.839 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H](C)C[NH3+])C1 ZINC000642954377 357773873 /nfs/dbraw/zinc/77/38/73/357773873.db2.gz QKPVTWXQODNVND-MNOVXSKESA-N 2 0 270.377 -0.561 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000642978823 357773890 /nfs/dbraw/zinc/77/38/90/357773890.db2.gz QMQIAAWFVTVZGJ-UHFFFAOYSA-N 2 0 282.388 -0.462 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000642988389 357774365 /nfs/dbraw/zinc/77/43/65/357774365.db2.gz HAESEGFULHHZAN-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000642988386 357774922 /nfs/dbraw/zinc/77/49/22/357774922.db2.gz HAESEGFULHHZAN-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000643471959 357784270 /nfs/dbraw/zinc/78/42/70/357784270.db2.gz XTZREIBCBOVNME-LBPRGKRZSA-N 2 0 282.388 -0.593 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000643553817 357788867 /nfs/dbraw/zinc/78/88/67/357788867.db2.gz RIIZZEFCPHQQTP-GFCCVEGCSA-N 2 0 282.388 -0.593 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000643553663 357789010 /nfs/dbraw/zinc/78/90/10/357789010.db2.gz LGEYLYVSHFRGIX-RYUDHWBXSA-N 2 0 282.388 -0.465 20 0 CBADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000417240914 283352356 /nfs/dbraw/zinc/35/23/56/283352356.db2.gz QMMRDSKQURRNFK-CQSZACIVSA-N 2 0 297.447 -0.077 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000516572522 291151618 /nfs/dbraw/zinc/15/16/18/291151618.db2.gz KIQHMVMVXDZPGB-MXWKQRLJSA-N 2 0 271.361 -0.182 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000419414615 283385061 /nfs/dbraw/zinc/38/50/61/283385061.db2.gz TZSGOHJVYGBSSH-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc(=O)n(C)[nH]2)CC1 ZINC000329283130 202264497 /nfs/dbraw/zinc/26/44/97/202264497.db2.gz NHMMRANLUCZVTI-NSHDSACASA-N 2 0 297.403 -0.367 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000368005674 291191930 /nfs/dbraw/zinc/19/19/30/291191930.db2.gz KAUVQSYXBPSEJL-VXGBXAGGSA-N 2 0 254.378 -0.604 20 0 CBADRP C[C@H](CS(C)(=O)=O)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000341710599 216075341 /nfs/dbraw/zinc/07/53/41/216075341.db2.gz VDMUKTJMDBTDSG-QWHCGFSZSA-N 2 0 291.461 -0.107 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000574084000 334991073 /nfs/dbraw/zinc/99/10/73/334991073.db2.gz KETMJZIVPQYRTH-SECBINFHSA-N 2 0 259.350 -0.290 20 0 CBADRP C[NH+](C)CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000341850759 216125315 /nfs/dbraw/zinc/12/53/15/216125315.db2.gz WKXCDNDMAHMJPW-NSHDSACASA-N 2 0 270.377 -0.748 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000419820444 283538128 /nfs/dbraw/zinc/53/81/28/283538128.db2.gz KIEKKBMTRARFTG-OLZOCXBDSA-N 2 0 298.431 -0.194 20 0 CBADRP CNC(=O)C[C@@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000341902219 216147149 /nfs/dbraw/zinc/14/71/49/216147149.db2.gz SEECCTXORNDBEL-LLVKDONJSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H](CC(N)=O)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000341907358 216148098 /nfs/dbraw/zinc/14/80/98/216148098.db2.gz ZNWYEXNTILNMOF-NSHDSACASA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@H](C)C(=O)N(C)C)CC1 ZINC000430926195 296016293 /nfs/dbraw/zinc/01/62/93/296016293.db2.gz MUFYCMYSRWOVES-GHMZBOCLSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000423677496 296026771 /nfs/dbraw/zinc/02/67/71/296026771.db2.gz KFGDKRCLMLUGDX-VXGBXAGGSA-N 2 0 284.404 -0.265 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000376200180 296055326 /nfs/dbraw/zinc/05/53/26/296055326.db2.gz TXNIKMKAUGDAIN-AGIUHOORSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000552311112 283980821 /nfs/dbraw/zinc/98/08/21/283980821.db2.gz WFHDNIKWAKBFNQ-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCC[NH2+]C1CC1 ZINC000574205731 335000914 /nfs/dbraw/zinc/00/09/14/335000914.db2.gz OKLMRHAWHGJRSC-LLVKDONJSA-N 2 0 268.361 -0.887 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)NC[C@@H]1C[NH2+]CCCO1 ZINC000574276339 335006145 /nfs/dbraw/zinc/00/61/45/335006145.db2.gz XLYMBOBXGFRHTL-NEPJUHHUSA-N 2 0 271.361 -0.750 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CCC1 ZINC000331886929 204263534 /nfs/dbraw/zinc/26/35/34/204263534.db2.gz OUXXGDOAVKKHDR-LLVKDONJSA-N 2 0 282.388 -0.463 20 0 CBADRP [NH3+]CCCCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000574398743 335016355 /nfs/dbraw/zinc/01/63/55/335016355.db2.gz RYSJFOJPAGBRIV-SECBINFHSA-N 2 0 251.334 -0.045 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000068807911 372764862 /nfs/dbraw/zinc/76/48/62/372764862.db2.gz OMAADEHKVOOILV-WCQYABFASA-N 2 0 254.378 -0.652 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000070174613 372767200 /nfs/dbraw/zinc/76/72/00/372767200.db2.gz YVUAMQCMEJMXFQ-UWVGGRQHSA-N 2 0 256.350 -0.109 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)CN3CC[NH2+]CC3)CC[C@@H]21 ZINC000166612150 372825971 /nfs/dbraw/zinc/82/59/71/372825971.db2.gz DTYIEBBCLNODOJ-KBPBESRZSA-N 2 0 280.416 -0.166 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000353438608 220082234 /nfs/dbraw/zinc/08/22/34/220082234.db2.gz ZODIPPCAHIZGKH-STQMWFEESA-N 2 0 268.405 -0.262 20 0 CBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000353438605 220083248 /nfs/dbraw/zinc/08/32/48/220083248.db2.gz ZODIPPCAHIZGKH-CHWSQXEVSA-N 2 0 268.405 -0.262 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000353446499 220089331 /nfs/dbraw/zinc/08/93/31/220089331.db2.gz JWPRCAGFIIARHT-VXGBXAGGSA-N 2 0 255.362 -0.096 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC[C@H](C)[NH+](C)C)CC1 ZINC000344654125 217264906 /nfs/dbraw/zinc/26/49/06/217264906.db2.gz KXMBMNGQCMFWDB-LBPRGKRZSA-N 2 0 256.394 -0.310 20 0 CBADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000249092268 372893974 /nfs/dbraw/zinc/89/39/74/372893974.db2.gz WJLMKNXWCWQJID-SDDRHHMPSA-N 2 0 253.346 -0.330 20 0 CBADRP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CNC(=O)C[NH3+] ZINC000251781023 372897100 /nfs/dbraw/zinc/89/71/00/372897100.db2.gz MXSGKILQFYSWEZ-QWRGUYRKSA-N 2 0 268.361 -0.854 20 0 CBADRP COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262052756 372908634 /nfs/dbraw/zinc/90/86/34/372908634.db2.gz ZVTDWEILXLJPAI-NWDGAFQWSA-N 2 0 256.346 -0.016 20 0 CBADRP CN(CCC[NH3+])Cc1cn(C[C@@H](O)C[N@H+](C)C2CC2)nn1 ZINC000328013318 372972852 /nfs/dbraw/zinc/97/28/52/372972852.db2.gz QNVKDNRSRYBIOA-AWEZNQCLSA-N 2 0 296.419 -0.486 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000331665406 372998317 /nfs/dbraw/zinc/99/83/17/372998317.db2.gz QXAFOYUHQWYAPQ-JHJVBQTASA-N 2 0 294.399 -0.450 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCC(C)(C)[NH3+])CC[C@@H]21 ZINC000332725700 373004342 /nfs/dbraw/zinc/00/43/42/373004342.db2.gz PSZSITMGZYRCDL-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCC(C)(C)[NH3+])CC[C@H]21 ZINC000332725701 373004717 /nfs/dbraw/zinc/00/47/17/373004717.db2.gz PSZSITMGZYRCDL-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)NCCN2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000333422284 373009788 /nfs/dbraw/zinc/00/97/88/373009788.db2.gz SRIHMWXKBNWBAB-QWHCGFSZSA-N 2 0 295.431 -0.184 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333430223 205312471 /nfs/dbraw/zinc/31/24/71/205312471.db2.gz UKYMFWUVUNNATP-RYDUCSDGSA-N 2 0 282.388 -0.557 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NCCCC[NH+]1CCOCC1 ZINC000353522984 220133672 /nfs/dbraw/zinc/13/36/72/220133672.db2.gz PSTCFLMLJWESRK-NSHDSACASA-N 2 0 259.350 -0.811 20 0 CBADRP C[C@@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)[N@H+](C)C1CC1 ZINC000333458107 205336569 /nfs/dbraw/zinc/33/65/69/205336569.db2.gz YPZVJYJTMQDVAM-DLOVCJGASA-N 2 0 270.377 -0.557 20 0 CBADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000343616046 373050837 /nfs/dbraw/zinc/05/08/37/373050837.db2.gz KAOAVXFIXFXDME-CHWSQXEVSA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000333490469 205368414 /nfs/dbraw/zinc/36/84/14/205368414.db2.gz DFEMGRQAMUUCNL-QJPTWQEYSA-N 2 0 270.377 -0.243 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000333489730 205368574 /nfs/dbraw/zinc/36/85/74/205368574.db2.gz DCGPISAXVUDIAN-UPJWGTAASA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000349029325 373086771 /nfs/dbraw/zinc/08/67/71/373086771.db2.gz QLTSJAQAXIMMOT-ZWNOBZJWSA-N 2 0 267.373 -0.036 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)C[NH+](C)C)C1 ZINC000353553274 220154285 /nfs/dbraw/zinc/15/42/85/220154285.db2.gz QURMMSWGPDIBEB-VXGBXAGGSA-N 2 0 272.393 -0.044 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351533807 373096985 /nfs/dbraw/zinc/09/69/85/373096985.db2.gz IZLNIPIQYBTBHM-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351541011 373098218 /nfs/dbraw/zinc/09/82/18/373098218.db2.gz PAJYJBXDJROKBG-STQMWFEESA-N 2 0 296.415 -0.297 20 0 CBADRP CCC[C@](C)([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000353589343 373113441 /nfs/dbraw/zinc/11/34/41/373113441.db2.gz MDYKARZQBRRKPO-RISCZKNCSA-N 2 0 284.404 -0.040 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000355326915 373127954 /nfs/dbraw/zinc/12/79/54/373127954.db2.gz XLIHIKYTCKIGNG-TXEJJXNPSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@H](CC(N)=O)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000361183399 373265124 /nfs/dbraw/zinc/26/51/24/373265124.db2.gz UVCWYXOIAAVCSF-GFCCVEGCSA-N 2 0 256.394 -0.133 20 0 CBADRP CN(CCC[N@H+](C)[C@H]1COC[C@H]1O)CC[NH+](C)C ZINC000361394842 373287557 /nfs/dbraw/zinc/28/75/57/373287557.db2.gz ITBJWMNBXGFJQF-QWHCGFSZSA-N 2 0 259.394 -0.439 20 0 CBADRP CC(C)(C)[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000362066425 373363999 /nfs/dbraw/zinc/36/39/99/373363999.db2.gz NJHHYBFCTGCNLB-GFCCVEGCSA-N 2 0 268.405 -0.119 20 0 CBADRP CC(C)(C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000362066428 373364522 /nfs/dbraw/zinc/36/45/22/373364522.db2.gz NJHHYBFCTGCNLB-LBPRGKRZSA-N 2 0 268.405 -0.119 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000362761783 373444078 /nfs/dbraw/zinc/44/40/78/373444078.db2.gz BUHIAAKXLAKHAG-FRRDWIJNSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000362883396 373458645 /nfs/dbraw/zinc/45/86/45/373458645.db2.gz QZLZFOMUPXAISL-YVECIDJPSA-N 2 0 267.373 -0.275 20 0 CBADRP NC(=O)NC(=O)CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363256519 373485209 /nfs/dbraw/zinc/48/52/09/373485209.db2.gz LIELMUXHJJSXDX-GRYCIOLGSA-N 2 0 280.372 -0.013 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372098247 373554888 /nfs/dbraw/zinc/55/48/88/373554888.db2.gz HZMPSBWPTFXAPW-SRVKXCTJSA-N 2 0 255.362 -0.219 20 0 CBADRP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000377291995 373575926 /nfs/dbraw/zinc/57/59/26/373575926.db2.gz OLJFBDSPLKMBKL-LOWDOPEQSA-N 2 0 267.373 -0.206 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417442551 373628369 /nfs/dbraw/zinc/62/83/69/373628369.db2.gz VBNDEMPBFFWZND-CQSZACIVSA-N 2 0 284.404 -0.040 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000417438624 373629639 /nfs/dbraw/zinc/62/96/39/373629639.db2.gz JXRXCKIWDCOQIG-LLVKDONJSA-N 2 0 258.366 -0.432 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000417440844 373629664 /nfs/dbraw/zinc/62/96/64/373629664.db2.gz PDXPMNQJKULKRM-NEPJUHHUSA-N 2 0 272.393 -0.057 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417438626 373629746 /nfs/dbraw/zinc/62/97/46/373629746.db2.gz JXSRRDQQMYMZSC-LLVKDONJSA-N 2 0 258.366 -0.399 20 0 CBADRP [NH3+][C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000418494362 373631587 /nfs/dbraw/zinc/63/15/87/373631587.db2.gz XSZZPDNRPRICAU-CHWSQXEVSA-N 2 0 284.404 -0.130 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000418347330 373631985 /nfs/dbraw/zinc/63/19/85/373631985.db2.gz CZTIEBFMYDWUEP-SRVKXCTJSA-N 2 0 270.377 -0.555 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419095542 373635202 /nfs/dbraw/zinc/63/52/02/373635202.db2.gz CLBFIXXBLMRZTN-WDEREUQCSA-N 2 0 282.388 -0.594 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)C1CC1 ZINC000419101082 373635661 /nfs/dbraw/zinc/63/56/61/373635661.db2.gz JVPQFBWXICHSTG-UHFFFAOYSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C[N@@H+]1C1CC1 ZINC000419316925 373638593 /nfs/dbraw/zinc/63/85/93/373638593.db2.gz MJDWSOAKMJBNEO-CDMKHQONSA-N 2 0 294.399 -0.419 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000419586411 373640895 /nfs/dbraw/zinc/64/08/95/373640895.db2.gz MWIUAUHUNYADOT-ZYHUDNBSSA-N 2 0 284.404 -0.315 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000419874532 373642833 /nfs/dbraw/zinc/64/28/33/373642833.db2.gz WBWJLTDZVFGUQS-STQMWFEESA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000419999775 373645821 /nfs/dbraw/zinc/64/58/21/373645821.db2.gz SMAZCOWJZLKNNU-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)C[C@@H](C)[NH2+]1 ZINC000423515635 373658548 /nfs/dbraw/zinc/65/85/48/373658548.db2.gz FVWUOOHUPVVNSO-VXGBXAGGSA-N 2 0 296.415 -0.252 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000420107257 373649319 /nfs/dbraw/zinc/64/93/19/373649319.db2.gz ASAFGJRSTJJNBC-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H]1C[C@H](C)N(C(=O)[C@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000422535765 373651287 /nfs/dbraw/zinc/65/12/87/373651287.db2.gz DCPACFOCCAKWNE-WRWGMCAJSA-N 2 0 255.362 -0.193 20 0 CBADRP C[C@@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)[NH+](C)C ZINC000433376693 373675145 /nfs/dbraw/zinc/67/51/45/373675145.db2.gz OKMODAQFVDZMLW-QWRGUYRKSA-N 2 0 280.376 -0.118 20 0 CBADRP CC(C)[C@@H](C[NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000433134312 373675389 /nfs/dbraw/zinc/67/53/89/373675389.db2.gz GNXBUBXXEXLECH-VXGBXAGGSA-N 2 0 284.404 -0.327 20 0 CBADRP CNC(=O)[C@H]1CCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433140148 373675761 /nfs/dbraw/zinc/67/57/61/373675761.db2.gz ZUTKPLWRPZZIQB-CYBMUJFWSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000446364800 373685252 /nfs/dbraw/zinc/68/52/52/373685252.db2.gz WJLMKNXWCWQJID-SRVKXCTJSA-N 2 0 253.346 -0.330 20 0 CBADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479276760 373698478 /nfs/dbraw/zinc/69/84/78/373698478.db2.gz YQOCELAMSDVQCB-IRCOFANPSA-N 2 0 253.346 -0.596 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000514596463 373755659 /nfs/dbraw/zinc/75/56/59/373755659.db2.gz VGCYDZTWKYLHAX-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000514673725 373759928 /nfs/dbraw/zinc/75/99/28/373759928.db2.gz JLWXPRZZIOJICD-ONGXEEELSA-N 2 0 270.377 -0.657 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)CC[NH2+]C1CC1 ZINC000514738525 373763288 /nfs/dbraw/zinc/76/32/88/373763288.db2.gz HEFIWKOTJAQLKX-UHFFFAOYSA-N 2 0 268.361 -0.981 20 0 CBADRP CN1CCN(C(=O)CC[NH+]2CCC(C[NH3+])CC2)CC1 ZINC000514727229 373763611 /nfs/dbraw/zinc/76/36/11/373763611.db2.gz PCHMOKKTHWJIIF-UHFFFAOYSA-N 2 0 268.405 -0.179 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000514859672 373768493 /nfs/dbraw/zinc/76/84/93/373768493.db2.gz FIEDMPCGDKYNKC-GFCCVEGCSA-N 2 0 285.388 -0.408 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000516285755 373809412 /nfs/dbraw/zinc/80/94/12/373809412.db2.gz YGNVSCQHRIEEQS-SRVKXCTJSA-N 2 0 255.362 -0.097 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000516285754 373809573 /nfs/dbraw/zinc/80/95/73/373809573.db2.gz YGNVSCQHRIEEQS-SDDRHHMPSA-N 2 0 255.362 -0.097 20 0 CBADRP O=C(CC1CC[NH2+]CC1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000516287697 373809942 /nfs/dbraw/zinc/80/99/42/373809942.db2.gz LLJWZWDYXVBDGM-UHFFFAOYSA-N 2 0 293.375 -0.458 20 0 CBADRP C[C@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)C[NH+]1CCCC1 ZINC000516429129 373812336 /nfs/dbraw/zinc/81/23/36/373812336.db2.gz BXUNIBGUTSVSEX-ZIAGYGMSSA-N 2 0 297.447 -0.079 20 0 CBADRP C[C@@H]1CN(C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@H]1[NH3+] ZINC000516650515 373817685 /nfs/dbraw/zinc/81/76/85/373817685.db2.gz ORGDCSPGAOGKFN-IJLUTSLNSA-N 3 0 254.378 -0.537 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1C[NH2+]CCCO1 ZINC000520228436 373829893 /nfs/dbraw/zinc/82/98/93/373829893.db2.gz MAFLZMOEZAVCRE-GHMZBOCLSA-N 2 0 273.402 -0.424 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)NC[C@H]1C[NH2+]CCCO1 ZINC000520228439 373830354 /nfs/dbraw/zinc/83/03/54/373830354.db2.gz MAFLZMOEZAVCRE-WDEREUQCSA-N 2 0 273.402 -0.424 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000520219124 373830491 /nfs/dbraw/zinc/83/04/91/373830491.db2.gz VREIQQGXYLICCJ-KBPBESRZSA-N 2 0 276.384 -0.424 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000520579314 373833173 /nfs/dbraw/zinc/83/31/73/373833173.db2.gz LVSCDAMWYANZCC-TUAOUCFPSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000515380721 373787076 /nfs/dbraw/zinc/78/70/76/373787076.db2.gz FOHUDEQIDIRALM-JQWIXIFHSA-N 2 0 292.387 -0.161 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000515845428 373798351 /nfs/dbraw/zinc/79/83/51/373798351.db2.gz GEHYDSYKLKVFDC-NEPJUHHUSA-N 2 0 254.378 -0.523 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000516059079 373801719 /nfs/dbraw/zinc/80/17/19/373801719.db2.gz ZXULFQQVWICYHV-RYUDHWBXSA-N 2 0 283.372 -0.179 20 0 CBADRP CC[NH2+]CCCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000521441376 373841407 /nfs/dbraw/zinc/84/14/07/373841407.db2.gz NNTWKWSZWVRCPN-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP CN1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000521986469 373853080 /nfs/dbraw/zinc/85/30/80/373853080.db2.gz HFWGIHKHBYPKQO-OCCSQVGLSA-N 2 0 283.420 -0.340 20 0 CBADRP C[C@H](CCCC[NH3+])NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000522000235 373856821 /nfs/dbraw/zinc/85/68/21/373856821.db2.gz MTLJIEPMFLRGFL-VXGBXAGGSA-N 2 0 284.404 -0.122 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000522138507 373860807 /nfs/dbraw/zinc/86/08/07/373860807.db2.gz UQVJJQVXSDGCCS-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000522147329 373862472 /nfs/dbraw/zinc/86/24/72/373862472.db2.gz BJPFKQHXQWANQW-QWHCGFSZSA-N 2 0 296.415 -0.358 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529297378 373999719 /nfs/dbraw/zinc/99/97/19/373999719.db2.gz DPHAKALIWXRIJC-MNOVXSKESA-N 2 0 256.350 -0.632 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)NCC[NH3+])CC1 ZINC000529330366 374001736 /nfs/dbraw/zinc/00/17/36/374001736.db2.gz OTPITLFISVAEIP-UHFFFAOYSA-N 2 0 270.377 -0.159 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529330334 374002590 /nfs/dbraw/zinc/00/25/90/374002590.db2.gz AIEYRWJCDBJCAS-QJPTWQEYSA-N 2 0 270.377 -0.209 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCCCN1CC[NH2+]CC1 ZINC000529329970 374003018 /nfs/dbraw/zinc/00/30/18/374003018.db2.gz NJIQOKRQZLYPOV-CQSZACIVSA-N 2 0 297.447 -0.079 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@H]1CC[NH2+]C12CCC2 ZINC000529341033 374006232 /nfs/dbraw/zinc/00/62/32/374006232.db2.gz UPSCNGHFOWRSRV-ZRUFSTJUSA-N 2 0 250.346 -0.212 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000529338966 374006355 /nfs/dbraw/zinc/00/63/55/374006355.db2.gz BLSXWXRPOJHKIC-WDEREUQCSA-N 2 0 268.361 -0.584 20 0 CBADRP [NH3+]Cc1ccc(CNC(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000529338118 374006825 /nfs/dbraw/zinc/00/68/25/374006825.db2.gz BBUZRNGPDIBWAM-CYBMUJFWSA-N 2 0 278.356 -0.067 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000529339590 374007082 /nfs/dbraw/zinc/00/70/82/374007082.db2.gz LOHCTVYIFIABFG-DTWKUNHWSA-N 2 0 278.303 -0.729 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCOC2(C[NH2+]C2)C1 ZINC000529351207 374008225 /nfs/dbraw/zinc/00/82/25/374008225.db2.gz RDMPGYNAJIHNDF-LLVKDONJSA-N 2 0 280.372 -0.345 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529343592 374008567 /nfs/dbraw/zinc/00/85/67/374008567.db2.gz QFFWQPHQOXIBAJ-QWRGUYRKSA-N 2 0 268.361 -0.441 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529387262 374023510 /nfs/dbraw/zinc/02/35/10/374023510.db2.gz LCFTYXGJWPPAIX-WDEREUQCSA-N 2 0 256.350 -0.632 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000529384623 374024335 /nfs/dbraw/zinc/02/43/35/374024335.db2.gz DFHRPPZBOXPYQK-GRYCIOLGSA-N 2 0 268.361 -0.489 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000529385789 374023716 /nfs/dbraw/zinc/02/37/16/374023716.db2.gz HIGSVKXHDSNPBI-FRRDWIJNSA-N 2 0 282.388 -0.384 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000529373571 374014877 /nfs/dbraw/zinc/01/48/77/374014877.db2.gz HAIKPAKUWKZPBA-STQMWFEESA-N 2 0 280.372 -0.370 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529387848 374023927 /nfs/dbraw/zinc/02/39/27/374023927.db2.gz MSGOYUSNJXQCDH-ZYHUDNBSSA-N 2 0 256.350 -0.645 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000529376166 374016778 /nfs/dbraw/zinc/01/67/78/374016778.db2.gz BTRBWQXZYNJHHI-GRYCIOLGSA-N 2 0 268.361 -0.489 20 0 CBADRP CN(C(=O)NC[C@@H]1COCC[NH2+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000529376431 374017753 /nfs/dbraw/zinc/01/77/53/374017753.db2.gz DAZAFKFCUAHLAC-DAAZQVBGSA-N 2 0 282.388 -0.101 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529378619 374019720 /nfs/dbraw/zinc/01/97/20/374019720.db2.gz JPQMTTSEDKPFFK-NWDGAFQWSA-N 2 0 270.377 -0.290 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529387860 374024157 /nfs/dbraw/zinc/02/41/57/374024157.db2.gz MVYKDTGEUXDENF-MNOVXSKESA-N 2 0 256.350 -0.632 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000529386344 374024201 /nfs/dbraw/zinc/02/42/01/374024201.db2.gz IHFQKSUTCNATDW-SDDRHHMPSA-N 2 0 268.361 -0.774 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529378618 374020610 /nfs/dbraw/zinc/02/06/10/374020610.db2.gz JPQMTTSEDKPFFK-NEPJUHHUSA-N 2 0 270.377 -0.290 20 0 CBADRP CN(C(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000529384036 374022130 /nfs/dbraw/zinc/02/21/30/374022130.db2.gz XWGPQQGHMYZQCT-AAEUAGOBSA-N 2 0 282.388 -0.147 20 0 CBADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)NC[C@H]3COCC[NH2+]3)C2)C1 ZINC000529386311 374024590 /nfs/dbraw/zinc/02/45/90/374024590.db2.gz KXLWEZFOUTURNF-GXTWGEPZSA-N 2 0 282.388 -0.288 20 0 CBADRP O=C(N1CC[NH2+]CC1)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000530221522 374066467 /nfs/dbraw/zinc/06/64/67/374066467.db2.gz FRQWYCFRWNEWHQ-CQSZACIVSA-N 3 0 295.431 -0.371 20 0 CBADRP C[C@@H](C(N)=O)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238666 374069977 /nfs/dbraw/zinc/06/99/77/374069977.db2.gz AFWACDPEIISTJB-CMPLNLGQSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1COCCO1 ZINC000531118516 374117516 /nfs/dbraw/zinc/11/75/16/374117516.db2.gz GRNCCGKKOQYGNW-LBPRGKRZSA-N 2 0 273.377 -0.646 20 0 CBADRP CC(=O)N1CC[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000530680587 374093305 /nfs/dbraw/zinc/09/33/05/374093305.db2.gz NMNRCGZJCXMRQJ-AWEZNQCLSA-N 2 0 298.431 -0.193 20 0 CBADRP C[NH+](CCCC[N@@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@H]1O ZINC000552006500 374257234 /nfs/dbraw/zinc/25/72/34/374257234.db2.gz BLLJPHUNPLXDIA-AAVRWANBSA-N 2 0 288.388 -0.850 20 0 CBADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCC[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000562457006 374319667 /nfs/dbraw/zinc/31/96/67/374319667.db2.gz GMPMBNNQLUEQQX-FDYHWXHSSA-N 2 0 296.415 -0.395 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000566511617 374330448 /nfs/dbraw/zinc/33/04/48/374330448.db2.gz WTONFCMSXDFDTO-SCVCMEIPSA-N 2 0 280.372 -0.937 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CC[NH2+]C2CC2)C1 ZINC000577866160 374342419 /nfs/dbraw/zinc/34/24/19/374342419.db2.gz ZZXWXNWDOGQFEC-GFCCVEGCSA-N 2 0 296.415 -0.168 20 0 CBADRP COC[C@@]1(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC[NH2+]C1 ZINC000583262909 374357225 /nfs/dbraw/zinc/35/72/25/374357225.db2.gz UYEHQAIWQYDPMA-GXSJLCMTSA-N 2 0 277.315 -0.274 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC[C@@H]21 ZINC000584470995 374374731 /nfs/dbraw/zinc/37/47/31/374374731.db2.gz SERKJCKZHUJQAI-XQHKEYJVSA-N 2 0 267.373 -0.348 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)CCOC3C[NH2+]C3)[C@H]2C1 ZINC000583320413 374361565 /nfs/dbraw/zinc/36/15/65/374361565.db2.gz SJDHNZUCBGZMQR-YPMHNXCESA-N 2 0 267.373 -0.083 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000583753155 374365531 /nfs/dbraw/zinc/36/55/31/374365531.db2.gz PRWXJBOFPDNMOB-MNOVXSKESA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)C[C@H]([NH3+])CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000583764175 374366794 /nfs/dbraw/zinc/36/67/94/374366794.db2.gz ZHGXCUCTXTZNCM-SRVKXCTJSA-N 2 0 254.378 -0.396 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C[NH2+]C2CC2)C1 ZINC000583811085 374367416 /nfs/dbraw/zinc/36/74/16/374367416.db2.gz AHGYYYXAPFRHAD-SNVBAGLBSA-N 2 0 268.361 -0.948 20 0 CBADRP O=C(NCC[N@H+]1CC=CCC1)NC[C@H]1C[NH2+]CCCO1 ZINC000584400654 374371550 /nfs/dbraw/zinc/37/15/50/374371550.db2.gz KFVCXXKAGXCDOX-CYBMUJFWSA-N 2 0 282.388 -0.074 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000644124082 374490549 /nfs/dbraw/zinc/49/05/49/374490549.db2.gz SHTXWOGNKRSNMN-WCQYABFASA-N 2 0 296.415 -0.170 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000644141989 374492245 /nfs/dbraw/zinc/49/22/45/374492245.db2.gz XOAHICJHJBZYCX-GARJFASQSA-N 2 0 296.350 -0.368 20 0 CBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000574524531 335026860 /nfs/dbraw/zinc/02/68/60/335026860.db2.gz DQSNKPIEVZDNTB-KBPBESRZSA-N 2 0 271.405 -0.389 20 0 CBADRP CN(CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C1CC1 ZINC000644527970 374591005 /nfs/dbraw/zinc/59/10/05/374591005.db2.gz HSRDGOLTWMYQGC-CQSZACIVSA-N 2 0 270.421 -0.722 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC[C@H](O)C[NH+](C)C2CC2)C1 ZINC000644554023 374592313 /nfs/dbraw/zinc/59/23/13/374592313.db2.gz FMYCYTITOFWGIG-JSGCOSHPSA-N 2 0 271.405 -0.248 20 0 CBADRP CC[C@@H](COC)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000644571948 374597380 /nfs/dbraw/zinc/59/73/80/374597380.db2.gz MSRWBEDEUKQXRV-STQMWFEESA-N 2 0 259.394 -0.391 20 0 CBADRP [NH3+]CCOCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645104426 374643769 /nfs/dbraw/zinc/64/37/69/374643769.db2.gz MVFXRLKZGNHPKT-NWDGAFQWSA-N 2 0 255.362 -0.048 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)CC1([NH3+])CCC1 ZINC000645134357 374645091 /nfs/dbraw/zinc/64/50/91/374645091.db2.gz DKFJSUVAELYSAB-UHFFFAOYSA-N 2 0 268.361 -0.852 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)C[C@H]2COCC[NH2+]2)cn1 ZINC000645803391 374700409 /nfs/dbraw/zinc/70/04/09/374700409.db2.gz WZRPPWSNBSXTKN-NSHDSACASA-N 2 0 281.360 -0.238 20 0 CBADRP CC1CC[NH+](CC(=O)N[C@H](CO)C[NH+](C)C)CC1 ZINC000646210362 374758144 /nfs/dbraw/zinc/75/81/44/374758144.db2.gz ZNJSGMSHSVTLME-LBPRGKRZSA-N 2 0 257.378 -0.243 20 0 CBADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000645953475 374716598 /nfs/dbraw/zinc/71/65/98/374716598.db2.gz VIDOIRZVMXNUDN-NEPJUHHUSA-N 2 0 253.346 -0.425 20 0 CBADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1C[NH2+]CCO1 ZINC000645953478 374719521 /nfs/dbraw/zinc/71/95/21/374719521.db2.gz VIDOIRZVMXNUDN-VXGBXAGGSA-N 2 0 253.346 -0.425 20 0 CBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C3(C)C[NH2+]C3)C2)CC1 ZINC000645977968 374720588 /nfs/dbraw/zinc/72/05/88/374720588.db2.gz PAHIZAJTMUCCSD-GFCCVEGCSA-N 3 0 280.416 -0.119 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000646002862 374724543 /nfs/dbraw/zinc/72/45/43/374724543.db2.gz HTNNIGDGAPAWLK-CHWSQXEVSA-N 2 0 268.405 -0.038 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)COCC[NH3+])CC2)C1 ZINC000646002757 374725044 /nfs/dbraw/zinc/72/50/44/374725044.db2.gz BSWZBVQHRLJCCO-ZDUSSCGKSA-N 2 0 284.404 -0.800 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CC[NH2+]3)CC2)C1 ZINC000646003127 374725297 /nfs/dbraw/zinc/72/52/97/374725297.db2.gz SVPXLQZNELRBIA-CHWSQXEVSA-N 2 0 266.389 -0.413 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009372 374726378 /nfs/dbraw/zinc/72/63/78/374726378.db2.gz FSHFTHSETODBAM-KGLIPLIRSA-N 2 0 298.431 -0.635 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000646012146 374727568 /nfs/dbraw/zinc/72/75/68/374727568.db2.gz GZSRRRNSSJLSLL-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH+]1CCC2(CC1)CN(CCCS(N)(=O)=O)CCO2 ZINC000646104285 374740578 /nfs/dbraw/zinc/74/05/78/374740578.db2.gz ICXHSKVQNFOVIO-UHFFFAOYSA-N 2 0 291.417 -0.538 20 0 CBADRP C[NH+](C)C[C@H]1CCCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000646116445 374741997 /nfs/dbraw/zinc/74/19/97/374741997.db2.gz WYQWDOYSNZOQTN-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP [NH3+]C1(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCC1 ZINC000646638667 374797800 /nfs/dbraw/zinc/79/78/00/374797800.db2.gz QESDOOSQJVYKJQ-GFCCVEGCSA-N 2 0 294.399 -0.462 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000646637952 374798103 /nfs/dbraw/zinc/79/81/03/374798103.db2.gz HUAQWKRUPSUNHH-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP O=C(NC[C@H]1CCCC[NH2+]1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000646651349 374799789 /nfs/dbraw/zinc/79/97/89/374799789.db2.gz XPSSOMBCTLTACD-NEPJUHHUSA-N 2 0 292.387 -0.098 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000646667618 374802351 /nfs/dbraw/zinc/80/23/51/374802351.db2.gz WOZKRLVAYYVKDQ-LLVKDONJSA-N 2 0 282.388 -0.429 20 0 CBADRP [NH3+]CC(=O)NCC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000646751023 374809681 /nfs/dbraw/zinc/80/96/81/374809681.db2.gz MFROEQHWGXKNCW-UHFFFAOYSA-N 2 0 262.313 -0.654 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[C@H](C[NH3+])C1 ZINC000646833253 374821897 /nfs/dbraw/zinc/82/18/97/374821897.db2.gz XSAHSPCFHDRGCZ-NTZNESFSSA-N 2 0 252.362 -0.913 20 0 CBADRP CN1CCN(C(=O)c2ccc(C[NH3+])o2)[C@@H](C[NH3+])C1 ZINC000646833182 374822336 /nfs/dbraw/zinc/82/23/36/374822336.db2.gz MYDLUCKHVFFRMR-VIFPVBQESA-N 2 0 252.318 -0.547 20 0 CBADRP COCC1(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC[NH2+]CC1 ZINC000646843362 374825559 /nfs/dbraw/zinc/82/55/59/374825559.db2.gz IUMIOEWZUDVUSS-RYUDHWBXSA-N 2 0 285.388 -0.423 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CCO1 ZINC000646843839 374825835 /nfs/dbraw/zinc/82/58/35/374825835.db2.gz MKMDXBSPARYDJG-MRBYEJRBSA-N 2 0 253.346 -0.439 20 0 CBADRP CC(C)[C@H]1CN(C(=O)c2cn(CCC[NH3+])nn2)CC[NH2+]1 ZINC000646329472 374771076 /nfs/dbraw/zinc/77/10/76/374771076.db2.gz DNVJLIMANPDERZ-LLVKDONJSA-N 2 0 280.376 -0.303 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646338932 374771121 /nfs/dbraw/zinc/77/11/21/374771121.db2.gz WQCOCVDJDMMKAS-YPMHNXCESA-N 2 0 267.373 -0.035 20 0 CBADRP CCC[NH2+][C@@H](C)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000646351082 374772377 /nfs/dbraw/zinc/77/23/77/374772377.db2.gz CNJXHUHSQWXISZ-QWHCGFSZSA-N 2 0 268.405 -0.119 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000646363760 374773667 /nfs/dbraw/zinc/77/36/67/374773667.db2.gz LXMOFCDUIKRWCX-OLZOCXBDSA-N 2 0 268.405 -0.119 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000646363890 374774432 /nfs/dbraw/zinc/77/44/32/374774432.db2.gz KCRCKGYLJKRKNX-VXGBXAGGSA-N 2 0 266.389 -0.510 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000646363862 374774657 /nfs/dbraw/zinc/77/46/57/374774657.db2.gz DYXGYYXBQKVFLF-UONOGXRCSA-N 2 0 280.416 -0.023 20 0 CBADRP [NH3+]CCOCC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000646385531 374775228 /nfs/dbraw/zinc/77/52/28/374775228.db2.gz WAZROMQWVZKAOU-NEPJUHHUSA-N 2 0 255.362 -0.190 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000646385493 374776333 /nfs/dbraw/zinc/77/63/33/374776333.db2.gz SWBJFTYAMAFDOB-AGIUHOORSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000646408241 374776499 /nfs/dbraw/zinc/77/64/99/374776499.db2.gz VSVOZVMSNPQVGT-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000646433168 374779572 /nfs/dbraw/zinc/77/95/72/374779572.db2.gz KZQHADMKRDPTST-AWEZNQCLSA-N 2 0 292.383 -0.040 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000646467412 374781363 /nfs/dbraw/zinc/78/13/63/374781363.db2.gz GPOXQEGLLJITAF-NEPJUHHUSA-N 2 0 255.362 -0.083 20 0 CBADRP [NH3+]Cc1cccc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000646578818 374790491 /nfs/dbraw/zinc/79/04/91/374790491.db2.gz GNLVXNWAKOHFJP-GFCCVEGCSA-N 2 0 276.340 -0.048 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000646575784 374790747 /nfs/dbraw/zinc/79/07/47/374790747.db2.gz ZYPVDVZQFVDWJJ-LLVKDONJSA-N 2 0 254.378 -0.604 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000647035925 374865816 /nfs/dbraw/zinc/86/58/16/374865816.db2.gz IVTDLMPCULYWGF-GARJFASQSA-N 2 0 286.351 -0.987 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)COC1CC[NH2+]CC1 ZINC000647034319 374866289 /nfs/dbraw/zinc/86/62/89/374866289.db2.gz IFDFRDVGRWHTAC-QWRGUYRKSA-N 2 0 273.352 -0.087 20 0 CBADRP COC[C@@]1(CNC(=O)C[C@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000647042186 374872106 /nfs/dbraw/zinc/87/21/06/374872106.db2.gz YODGKHYWXWPQBR-YPMHNXCESA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000647058145 374877046 /nfs/dbraw/zinc/87/70/46/374877046.db2.gz QGJJUJNJFFCLDF-AXFHLTTASA-N 2 0 296.350 -0.540 20 0 CBADRP CC(C)(C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)N1CC[NH2+]CC1 ZINC000647082841 374882643 /nfs/dbraw/zinc/88/26/43/374882643.db2.gz NUYKDXRTVHQLLU-NWDGAFQWSA-N 2 0 268.405 -0.086 20 0 CBADRP O=C(CCC1CC[NH2+]CC1)NC[C@@H]1C[NH2+]CCO1 ZINC000647086635 374883934 /nfs/dbraw/zinc/88/39/34/374883934.db2.gz NYZPFHFZXXWQCY-LBPRGKRZSA-N 2 0 255.362 -0.129 20 0 CBADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000647086474 374884351 /nfs/dbraw/zinc/88/43/51/374884351.db2.gz QBKMAUNNPAVOPG-IJLUTSLNSA-N 2 0 255.362 -0.001 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000647086620 374884682 /nfs/dbraw/zinc/88/46/82/374884682.db2.gz MUCKEFBJZJIYDN-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3[NH2+]CC3(C)C)C[C@H]2[NH3+])cn1 ZINC000647096390 374886254 /nfs/dbraw/zinc/88/62/54/374886254.db2.gz PSYOGMDYHQNGGZ-TUAOUCFPSA-N 2 0 277.372 -0.329 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000646979520 374855887 /nfs/dbraw/zinc/85/58/87/374855887.db2.gz UBQFCRIBUDSBOB-IJLUTSLNSA-N 2 0 282.388 -0.641 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)nn1 ZINC000646996521 374857534 /nfs/dbraw/zinc/85/75/34/374857534.db2.gz CZXATBDGIVZAGQ-VHSXEESVSA-N 2 0 266.349 -0.373 20 0 CBADRP [NH3+]CCOCC(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000647001651 374858797 /nfs/dbraw/zinc/85/87/97/374858797.db2.gz HOXBLPZWUYXVQV-UHFFFAOYSA-N 2 0 290.327 -0.156 20 0 CBADRP CC[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[C@H]1[NH3+] ZINC000647014968 374859846 /nfs/dbraw/zinc/85/98/46/374859846.db2.gz DQGXTNGIJWLKGV-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP CC(C)([NH3+])CC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000647017836 374860116 /nfs/dbraw/zinc/86/01/16/374860116.db2.gz CBIIEGJVMZVGRX-NSHDSACASA-N 2 0 284.404 -0.040 20 0 CBADRP CC(C)([NH3+])CC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000647017835 374860279 /nfs/dbraw/zinc/86/02/79/374860279.db2.gz CBIIEGJVMZVGRX-LLVKDONJSA-N 2 0 284.404 -0.040 20 0 CBADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000574573102 335030825 /nfs/dbraw/zinc/03/08/25/335030825.db2.gz QJVZFZWHNJUBLS-NEPJUHHUSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000356873181 248296943 /nfs/dbraw/zinc/29/69/43/248296943.db2.gz GHTXGUMVGPGQHQ-MGPQQGTHSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@H]1C[N@H+](CCOCC[NH3+])C[C@@H]1N1CCOCC1 ZINC000357082085 248319398 /nfs/dbraw/zinc/31/93/98/248319398.db2.gz OOCJJNKGPYKNPE-STQMWFEESA-N 2 0 257.378 -0.386 20 0 CBADRP CCS(=O)(=O)N(C)C1CC[NH+](CCOCC[NH3+])CC1 ZINC000357098859 248322901 /nfs/dbraw/zinc/32/29/01/248322901.db2.gz BQWVCULAEBJQLW-UHFFFAOYSA-N 2 0 293.433 -0.292 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)CN(C)C2C[NH2+]C2)CC1 ZINC000357111236 248324925 /nfs/dbraw/zinc/32/49/25/248324925.db2.gz ZSKNBYFMJLHBJM-UHFFFAOYSA-N 2 0 268.405 -0.121 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NCCCC[NH+]1CCOCC1 ZINC000357170336 248328313 /nfs/dbraw/zinc/32/83/13/248328313.db2.gz DZAHAJSDOVYMPY-CYBMUJFWSA-N 2 0 285.388 -0.407 20 0 CBADRP C[C@H](C[NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000357181144 248332729 /nfs/dbraw/zinc/33/27/29/248332729.db2.gz WTMLSHTXOQVDHO-ZJUUUORDSA-N 2 0 256.350 -0.963 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)CC[NH2+]C)CC1 ZINC000357236357 248337631 /nfs/dbraw/zinc/33/76/31/248337631.db2.gz CTEZYNJCIYVQFH-UHFFFAOYSA-N 2 0 284.404 -0.392 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)CC[NH2+]C)CC1 ZINC000357237248 248338390 /nfs/dbraw/zinc/33/83/90/248338390.db2.gz GWYJZDKEFTVZFI-UHFFFAOYSA-N 2 0 256.394 -0.260 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000357246088 248341053 /nfs/dbraw/zinc/34/10/53/248341053.db2.gz XCQSIRSULNJGAZ-CQSZACIVSA-N 2 0 298.431 -0.491 20 0 CBADRP O=C(COC1C[NH2+]C1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000357260395 248342754 /nfs/dbraw/zinc/34/27/54/248342754.db2.gz VVXSZFYFEZSFPZ-CQSZACIVSA-N 2 0 275.352 -0.022 20 0 CBADRP O=C(COC1C[NH2+]C1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000357260393 248343575 /nfs/dbraw/zinc/34/35/75/248343575.db2.gz VVXSZFYFEZSFPZ-AWEZNQCLSA-N 2 0 275.352 -0.022 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000357294236 248346626 /nfs/dbraw/zinc/34/66/26/248346626.db2.gz JAVXURITWRKPNO-NMKXLXIOSA-N 2 0 296.415 -0.253 20 0 CBADRP CC[C@@H]1CN(CCNC(=O)[C@@H]2CN(CC)CCO2)CCO1 ZINC000357366762 248353583 /nfs/dbraw/zinc/35/35/83/248353583.db2.gz CINZCAKAOCVFJE-KGLIPLIRSA-N 2 0 299.415 -0.066 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419741290 284627466 /nfs/dbraw/zinc/62/74/66/284627466.db2.gz YYNCYPVGVMHWJP-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH+](C)C/C=C/C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000492040245 248883525 /nfs/dbraw/zinc/88/35/25/248883525.db2.gz KYMBWALOIGIYKG-SNAWJCMRSA-N 2 0 255.362 -0.323 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000515648363 248920166 /nfs/dbraw/zinc/92/01/66/248920166.db2.gz SOPLTRCNNULVPZ-UWVGGRQHSA-N 2 0 266.349 -0.503 20 0 CBADRP C[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)C[NH+]1CCCC1 ZINC000516429124 248924770 /nfs/dbraw/zinc/92/47/70/248924770.db2.gz BXUNIBGUTSVSEX-KBPBESRZSA-N 2 0 297.447 -0.079 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000653129907 412885051 /nfs/dbraw/zinc/88/50/51/412885051.db2.gz NONWCSYXQILUDZ-LOWDOPEQSA-N 2 0 268.405 -0.149 20 0 CBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653126944 412885061 /nfs/dbraw/zinc/88/50/61/412885061.db2.gz QCCXYBFZPDPTOQ-BLFANLJRSA-N 2 0 253.346 -0.582 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)C[C@H]21 ZINC000653129722 412885145 /nfs/dbraw/zinc/88/51/45/412885145.db2.gz HFBNBZCQTRPQJF-OKWIKPQFSA-N 2 0 279.384 -0.192 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CCO1 ZINC000653130427 412885405 /nfs/dbraw/zinc/88/54/05/412885405.db2.gz KADOCBJDQFLINI-UTUOFQBUSA-N 2 0 253.346 -0.297 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NC[C@H]1CCC[NH+]1C ZINC000347123416 218129994 /nfs/dbraw/zinc/12/99/94/218129994.db2.gz HSLLAHQVPVCIHA-GFCCVEGCSA-N 2 0 272.393 -0.306 20 0 CBADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000347074926 218113581 /nfs/dbraw/zinc/11/35/81/218113581.db2.gz UEXYDZUQZYFSNA-SNVBAGLBSA-N 2 0 280.372 -0.357 20 0 CBADRP CC(C)([NH3+])CN1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347128245 218130854 /nfs/dbraw/zinc/13/08/54/218130854.db2.gz PDZCBWCIDKUMNR-LBPRGKRZSA-N 2 0 268.405 -0.133 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000423063394 284775826 /nfs/dbraw/zinc/77/58/26/284775826.db2.gz WJAOAPAWGLZTIZ-JHJVBQTASA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333857164 300002801 /nfs/dbraw/zinc/00/28/01/300002801.db2.gz REXIDGNRKVCCBP-NNYUYHANSA-N 2 0 252.362 -0.155 20 0 CBADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CNC(=O)C[NH3+] ZINC000347479361 296311686 /nfs/dbraw/zinc/31/16/86/296311686.db2.gz QHVVVIYIAAFINX-SNVBAGLBSA-N 2 0 256.350 -0.948 20 0 CBADRP O=C1CC[NH+](CCCCC[N@@H+]2CCNC(=O)CC2)CCN1 ZINC000157873572 296322904 /nfs/dbraw/zinc/32/29/04/296322904.db2.gz SMLUGALINGROMM-UHFFFAOYSA-N 2 0 296.415 -0.200 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000574759340 335045604 /nfs/dbraw/zinc/04/56/04/335045604.db2.gz IIJINQXKCWSOFB-JSGCOSHPSA-N 2 0 268.405 -0.119 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000037041724 184538123 /nfs/dbraw/zinc/53/81/23/184538123.db2.gz LREIWIFAICJVKH-NWDGAFQWSA-N 2 0 255.362 -0.302 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)C[C@@H](C)[NH2+]1 ZINC000153578940 207381617 /nfs/dbraw/zinc/38/16/17/207381617.db2.gz GJWPRVTWUUZURM-UTUOFQBUSA-N 2 0 255.362 -0.036 20 0 CBADRP CC(C)(C[NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000167409568 207397174 /nfs/dbraw/zinc/39/71/74/207397174.db2.gz CBSJLBHBVCKIAU-UHFFFAOYSA-N 2 0 296.415 -0.262 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000418987867 207629697 /nfs/dbraw/zinc/62/96/97/207629697.db2.gz AEWMGMCKUHWUJX-GFCCVEGCSA-N 2 0 282.388 -0.462 20 0 CBADRP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCC[NH2+]CC1 ZINC000418998507 207631384 /nfs/dbraw/zinc/63/13/84/207631384.db2.gz MQEOHOAVUZDASU-UHFFFAOYSA-N 2 0 296.415 -0.200 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000418997093 207632175 /nfs/dbraw/zinc/63/21/75/207632175.db2.gz KSJYCYGOLTUURK-GFCCVEGCSA-N 2 0 284.404 -0.310 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CC2)C[C@H]1[NH3+] ZINC000419065554 207639211 /nfs/dbraw/zinc/63/92/11/207639211.db2.gz AIFFCGBMIXSVOV-MWLCHTKSSA-N 2 0 268.361 -0.998 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@H]([NH3+])COC)CC1 ZINC000159770857 285016236 /nfs/dbraw/zinc/01/62/36/285016236.db2.gz XRCOPTBYZAKXHI-LLVKDONJSA-N 2 0 259.350 -0.859 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)C[C@H]1[NH3+] ZINC000419415039 207689230 /nfs/dbraw/zinc/68/92/30/207689230.db2.gz ULZZUFSWUUBYCI-CHWSQXEVSA-N 2 0 296.415 -0.360 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000419328890 207678138 /nfs/dbraw/zinc/67/81/38/207678138.db2.gz FYJIQZSHCQGXRJ-AAEUAGOBSA-N 2 0 296.415 -0.347 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)C[NH3+] ZINC000417567430 285025109 /nfs/dbraw/zinc/02/51/09/285025109.db2.gz NNUVYHRGZBXABY-GHMZBOCLSA-N 2 0 258.366 -0.256 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCC[NH3+])C1 ZINC000419836498 207742439 /nfs/dbraw/zinc/74/24/39/207742439.db2.gz XUCYTEMQILRPHD-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000419936871 207762759 /nfs/dbraw/zinc/76/27/59/207762759.db2.gz LVMPGLYDLRNROV-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000419978168 207770866 /nfs/dbraw/zinc/77/08/66/207770866.db2.gz NUVZWBIOISDFON-TUAOUCFPSA-N 2 0 284.404 -0.633 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](C[NH3+])OC ZINC000262823023 285031746 /nfs/dbraw/zinc/03/17/46/285031746.db2.gz GZZHSGBVDVILDM-RYUDHWBXSA-N 2 0 273.377 -0.423 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000167263830 285032048 /nfs/dbraw/zinc/03/20/48/285032048.db2.gz WTRGCUGZXPEUPC-QWHCGFSZSA-N 2 0 285.388 -0.408 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000246218375 285036611 /nfs/dbraw/zinc/03/66/11/285036611.db2.gz GLBYHYRVGNYARK-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@H]1CCCN(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])C1 ZINC000420446284 207822744 /nfs/dbraw/zinc/82/27/44/207822744.db2.gz BANZPTJUZKPWAY-LBPRGKRZSA-N 2 0 292.449 -0.037 20 0 CBADRP C[C@H]1CCN(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])C1 ZINC000420446823 207822842 /nfs/dbraw/zinc/82/28/42/207822842.db2.gz BYFGRFFNUIDASQ-NSHDSACASA-N 2 0 278.422 -0.427 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000422545521 207855119 /nfs/dbraw/zinc/85/51/19/207855119.db2.gz XHJKPACOIHXJPX-WDEREUQCSA-N 2 0 271.361 -0.099 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422967721 207867562 /nfs/dbraw/zinc/86/75/62/207867562.db2.gz CHNRPGCRAIEZDS-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000423738260 207933982 /nfs/dbraw/zinc/93/39/82/207933982.db2.gz DHXJDWMVITZALT-NWDGAFQWSA-N 2 0 273.377 -0.471 20 0 CBADRP CCC[C@H]([NH3+])C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424233800 207976647 /nfs/dbraw/zinc/97/66/47/207976647.db2.gz JMOFTYZXJSEAHD-SDDRHHMPSA-N 2 0 265.361 -0.199 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000426308846 208046592 /nfs/dbraw/zinc/04/65/92/208046592.db2.gz GQZKIAKPSPVWJB-UONOGXRCSA-N 2 0 280.416 -0.025 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000427270795 208058114 /nfs/dbraw/zinc/05/81/14/208058114.db2.gz XZCJLJPGXDTFKU-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000428195590 208080849 /nfs/dbraw/zinc/08/08/49/208080849.db2.gz ICAXFIKWLUAYHP-LLVKDONJSA-N 2 0 270.377 -0.750 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428195323 208082356 /nfs/dbraw/zinc/08/23/56/208082356.db2.gz NSXVKMXRGBABJU-BETUJISGSA-N 2 0 296.415 -0.251 20 0 CBADRP CN1CCN(C(=O)CC[N@H+](C)CC(=O)NC2CC2)CC1 ZINC000429670117 208127115 /nfs/dbraw/zinc/12/71/15/208127115.db2.gz IXQUDVNPZVECSG-UHFFFAOYSA-N 2 0 282.388 -0.639 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[C@@H]1[NH3+] ZINC000429166131 208112174 /nfs/dbraw/zinc/11/21/74/208112174.db2.gz UGCZKEIEPHMTBY-AGIUHOORSA-N 2 0 296.415 -0.408 20 0 CBADRP CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000429455497 208121236 /nfs/dbraw/zinc/12/12/36/208121236.db2.gz RFEPYPISJJNXHX-NEPJUHHUSA-N 2 0 292.449 -0.251 20 0 CBADRP CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430576398 208166092 /nfs/dbraw/zinc/16/60/92/208166092.db2.gz XFEPQDSMZJFYHY-GHMZBOCLSA-N 2 0 263.407 -0.015 20 0 CBADRP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(C[NH3+])CC1 ZINC000430645539 208169018 /nfs/dbraw/zinc/16/90/18/208169018.db2.gz CQGCSXHZLVPWLS-NSHDSACASA-N 2 0 296.415 -0.217 20 0 CBADRP [NH3+]CC1CC[NH+](CC(=O)NCCCN2CCCC2=O)CC1 ZINC000430636390 208169075 /nfs/dbraw/zinc/16/90/75/208169075.db2.gz YHZVVCVBGIUYTD-UHFFFAOYSA-N 2 0 296.415 -0.214 20 0 CBADRP O=C(COC1C[NH2+]C1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000430673483 208170811 /nfs/dbraw/zinc/17/08/11/208170811.db2.gz CYAFUPLPVQTLTK-NWDGAFQWSA-N 2 0 253.346 -0.282 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)[C@@H]2C[NH2+]CCO2)CCSC1 ZINC000430681580 208171156 /nfs/dbraw/zinc/17/11/56/208171156.db2.gz CCDANHKUSOTMKF-JQWIXIFHSA-N 2 0 273.402 -0.472 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000430695275 208171316 /nfs/dbraw/zinc/17/13/16/208171316.db2.gz MPAKNIYRVWKMMR-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP O=C(COC1C[NH2+]C1)NC1CC[NH+](CC2CC2)CC1 ZINC000430694731 208172550 /nfs/dbraw/zinc/17/25/50/208172550.db2.gz LCLOXRJSSDVMJY-UHFFFAOYSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH+](C)[C@@]1(CNC(=O)C[C@H]2C[NH2+]CCO2)CCSC1 ZINC000430688005 208172670 /nfs/dbraw/zinc/17/26/70/208172670.db2.gz UCEGKEZPLDGUKA-WCQYABFASA-N 2 0 287.429 -0.082 20 0 CBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C[NH3+])cc1 ZINC000430706623 208173547 /nfs/dbraw/zinc/17/35/47/208173547.db2.gz DKTBBSFMUDFYCX-UHFFFAOYSA-N 2 0 278.356 -0.447 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000430711721 208176185 /nfs/dbraw/zinc/17/61/85/208176185.db2.gz GCDSCGUREZAPRX-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP COCC[NH2+]CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000368617142 285075324 /nfs/dbraw/zinc/07/53/24/285075324.db2.gz YLYOFDNVZHXWMF-SDDRHHMPSA-N 2 0 255.362 -0.192 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000431012769 285076279 /nfs/dbraw/zinc/07/62/79/285076279.db2.gz CQEXYKWMHGCDEW-ZDUSSCGKSA-N 2 0 286.420 -0.778 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2(OC)CC[NH2+]CC2)C1 ZINC000430730668 208178577 /nfs/dbraw/zinc/17/85/77/208178577.db2.gz JQUHWWKCSVFCDE-GFCCVEGCSA-N 2 0 285.388 -0.408 20 0 CBADRP CC[C@H]([NH3+])C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000430792597 208180530 /nfs/dbraw/zinc/18/05/30/208180530.db2.gz RXCGLUBBCLNSTP-NSHDSACASA-N 2 0 296.375 -0.763 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000430790831 208181594 /nfs/dbraw/zinc/18/15/94/208181594.db2.gz BEWKYJSHRQCLKN-QWHCGFSZSA-N 2 0 283.372 -0.845 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1([NH3+])CCCC1 ZINC000430891631 208186322 /nfs/dbraw/zinc/18/63/22/208186322.db2.gz VWUDXTZWXKZJBX-LLVKDONJSA-N 2 0 282.388 -0.286 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000430891496 208186816 /nfs/dbraw/zinc/18/68/16/208186816.db2.gz UPARWONAGMOSPT-NWDGAFQWSA-N 2 0 282.388 -0.416 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000430892064 208187613 /nfs/dbraw/zinc/18/76/13/208187613.db2.gz ZSWYHRZRMGJPMD-TUAOUCFPSA-N 2 0 282.388 -0.430 20 0 CBADRP C[C@H]1C[N@H+](CCC(=O)N2CCOCC2)CC[C@@H]1[NH3+] ZINC000430920823 208189628 /nfs/dbraw/zinc/18/96/28/208189628.db2.gz QGWFEUAXUHVMNZ-RYUDHWBXSA-N 2 0 255.362 -0.096 20 0 CBADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000430958436 208192702 /nfs/dbraw/zinc/19/27/02/208192702.db2.gz XVYUBQYPUJUIHI-JTQLQIEISA-N 2 0 268.361 -0.996 20 0 CBADRP CNS(=O)(=O)CCC[NH+]1CCC(C[NH2+]C)CC1 ZINC000430968904 208194634 /nfs/dbraw/zinc/19/46/34/208194634.db2.gz XUZRFBSUQFVDHL-UHFFFAOYSA-N 2 0 263.407 -0.143 20 0 CBADRP C[C@@H](CNC(=O)C(C)(C)C[NH3+])N1CC[NH+](C)CC1 ZINC000430999178 208194869 /nfs/dbraw/zinc/19/48/69/208194869.db2.gz BCHPZOMZESZPQI-NSHDSACASA-N 2 0 256.394 -0.277 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000431017346 208198064 /nfs/dbraw/zinc/19/80/64/208198064.db2.gz PUTKSEROVOFIJA-OLZOCXBDSA-N 2 0 287.404 -0.162 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000431020769 208198283 /nfs/dbraw/zinc/19/82/83/208198283.db2.gz DKRVDQZKYHEQAL-ZIAGYGMSSA-N 2 0 298.431 -0.493 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000431007975 208198803 /nfs/dbraw/zinc/19/88/03/208198803.db2.gz WZKOTVQKYJKXDZ-QWHCGFSZSA-N 2 0 270.421 -0.031 20 0 CBADRP C[N@H+](CCNC(=O)C[NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000431045556 208202130 /nfs/dbraw/zinc/20/21/30/208202130.db2.gz QEHXPAIUSGHZNL-LBPRGKRZSA-N 2 0 255.362 -0.035 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433375254 208243873 /nfs/dbraw/zinc/24/38/73/208243873.db2.gz HCZPYJGXSJVWDX-NEPJUHHUSA-N 2 0 292.387 -0.116 20 0 CBADRP CC(C)NC(=O)CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433120058 208238099 /nfs/dbraw/zinc/23/80/99/208238099.db2.gz IOPQUPASXQIVJL-UHFFFAOYSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(C)[C@@H](C[NH3+])C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000433167768 208239333 /nfs/dbraw/zinc/23/93/33/208239333.db2.gz JWYJQRXCANZTRO-CHWSQXEVSA-N 2 0 270.421 -0.031 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000434876557 208271292 /nfs/dbraw/zinc/27/12/92/208271292.db2.gz YSHDDNPTTGHEMC-RYUDHWBXSA-N 2 0 287.429 -0.082 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000434876548 208273021 /nfs/dbraw/zinc/27/30/21/208273021.db2.gz YSHDDNPTTGHEMC-NEPJUHHUSA-N 2 0 287.429 -0.082 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000434678686 208264890 /nfs/dbraw/zinc/26/48/90/208264890.db2.gz JNLIWCWHTDYBGQ-RYUDHWBXSA-N 2 0 256.394 -0.134 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000434701810 208266841 /nfs/dbraw/zinc/26/68/41/208266841.db2.gz HXHDQJJXCRAGEK-CHWSQXEVSA-N 2 0 268.405 -0.119 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000434701811 208268293 /nfs/dbraw/zinc/26/82/93/208268293.db2.gz HXHDQJJXCRAGEK-OLZOCXBDSA-N 2 0 268.405 -0.119 20 0 CBADRP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)C(=O)N(C)C ZINC000443055338 208378731 /nfs/dbraw/zinc/37/87/31/208378731.db2.gz BGLBQFYRKWNVQD-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH+](C)CCNC(=O)C1(C(=O)NCC[NH+](C)C)CCC1 ZINC000443389208 208387263 /nfs/dbraw/zinc/38/72/63/208387263.db2.gz REYDGASHKLLYQJ-UHFFFAOYSA-N 2 0 284.404 -0.488 20 0 CBADRP C[C@@H](CNC(=O)c1c[nH+]ccc1N)N1CC[NH+](C)CC1 ZINC000444265615 208410361 /nfs/dbraw/zinc/41/03/61/208410361.db2.gz BGYLGGIMLZPQKJ-NSHDSACASA-N 2 0 277.372 -0.140 20 0 CBADRP CC1[C@@H](C(=O)NCC[NH+](C)C)[C@@H]1C(=O)NCC[NH+](C)C ZINC000449078078 208495581 /nfs/dbraw/zinc/49/55/81/208495581.db2.gz UGMGQWPVOCZBPV-VXGBXAGGSA-N 2 0 284.404 -0.776 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000449702940 208502474 /nfs/dbraw/zinc/50/24/74/208502474.db2.gz SRWSVOJNQABCFI-HUUCEWRRSA-N 2 0 288.395 -0.279 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000574862100 335052929 /nfs/dbraw/zinc/05/29/29/335052929.db2.gz CPPMGIVNBIHIDX-RYUDHWBXSA-N 2 0 271.409 -0.356 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419985127 285232815 /nfs/dbraw/zinc/23/28/15/285232815.db2.gz WLGMHARYVVYOAJ-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000420011283 285256156 /nfs/dbraw/zinc/25/61/56/285256156.db2.gz YQJTXITZNLIWDO-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)C1 ZINC000655159632 413030541 /nfs/dbraw/zinc/03/05/41/413030541.db2.gz JTRBMXIRMNTOQJ-OLZOCXBDSA-N 2 0 296.415 -0.093 20 0 CBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[NH2+]CCO3)C2)CC1 ZINC000424173622 285333670 /nfs/dbraw/zinc/33/36/70/285333670.db2.gz LLSPALPCFBEFPP-ZIAGYGMSSA-N 2 0 296.415 -0.787 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000262303573 285383264 /nfs/dbraw/zinc/38/32/64/285383264.db2.gz OCZKAERKAXXJBP-KGLIPLIRSA-N 2 0 298.431 -0.411 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000367534798 285384674 /nfs/dbraw/zinc/38/46/74/285384674.db2.gz YLQAJTDSGRLJJG-ZDEQEGDKSA-N 2 0 267.373 -0.097 20 0 CBADRP NC(=O)NC(=O)CC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000575124107 335069558 /nfs/dbraw/zinc/06/95/58/335069558.db2.gz OJGUWJTXPGMNHZ-MNOVXSKESA-N 2 0 268.361 -0.107 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000420172441 285611647 /nfs/dbraw/zinc/61/16/47/285611647.db2.gz PLBLIXNZGNYWPX-GFCCVEGCSA-N 2 0 286.420 -0.101 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000091394252 285778997 /nfs/dbraw/zinc/77/89/97/285778997.db2.gz LJFQSRSTKSGKCJ-GRYCIOLGSA-N 2 0 255.362 -0.084 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417748079 292337307 /nfs/dbraw/zinc/33/73/07/292337307.db2.gz HYRDJDZISGQFFW-GFCCVEGCSA-N 2 0 272.393 -0.009 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[NH2+]CC2)C[C@H]1[NH+](C)C ZINC000124718777 296775266 /nfs/dbraw/zinc/77/52/66/296775266.db2.gz IVPBLLOWFNAMES-VXGBXAGGSA-N 2 0 282.388 -0.783 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000420026344 286825897 /nfs/dbraw/zinc/82/58/97/286825897.db2.gz JAGODJVNDQJJHV-NSHDSACASA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)CC(N)=O)CN1CC[NH+](C)CC1 ZINC000346083398 286876335 /nfs/dbraw/zinc/87/63/35/286876335.db2.gz PLZMZXZXMLCFHF-RYUDHWBXSA-N 2 0 256.394 -0.277 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)C[C@H]1[NH+](C)C ZINC000333861126 296833916 /nfs/dbraw/zinc/83/39/16/296833916.db2.gz SCFRCTYKEKHGLH-JHJVBQTASA-N 2 0 284.404 -0.044 20 0 CBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CNC(=O)C[NH3+] ZINC000262436291 287007170 /nfs/dbraw/zinc/00/71/70/287007170.db2.gz TWAJRNNHJUJPNT-LLVKDONJSA-N 2 0 270.377 -0.558 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H](C[NH3+])OC)CC[N@@H+]1C[C@H](C)O ZINC000353434688 287150790 /nfs/dbraw/zinc/15/07/90/287150790.db2.gz VQCPHLIZEHEHNH-QJPTWQEYSA-N 2 0 273.377 -0.736 20 0 CBADRP C[C@@H]1CC2(CN1C(=O)[C@@H]1C[NH2+]CCO1)CC[NH2+]CC2 ZINC000424223050 287236647 /nfs/dbraw/zinc/23/66/47/287236647.db2.gz KQPKPOHBWLPPMN-NEPJUHHUSA-N 2 0 267.373 -0.035 20 0 CBADRP CC(C)[NH+](CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C(C)C ZINC000020433891 171199280 /nfs/dbraw/zinc/19/92/80/171199280.db2.gz WNNQOUDLAWNLJA-VXGBXAGGSA-N 2 0 257.378 -0.056 20 0 CBADRP CN(C(=O)CN1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC000020521294 171234285 /nfs/dbraw/zinc/23/42/85/171234285.db2.gz IUKPDBIJICTBAR-UHFFFAOYSA-N 2 0 254.378 -0.556 20 0 CBADRP CC[NH+](CC)CC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662753767 413990891 /nfs/dbraw/zinc/99/08/91/413990891.db2.gz VYKPCOCZJMQUOS-UHFFFAOYSA-N 2 0 267.333 -0.401 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[C@H]1F ZINC000662749098 413991132 /nfs/dbraw/zinc/99/11/32/413991132.db2.gz KDNWUNKFDUAZCE-GMTAPVOTSA-N 2 0 286.351 -0.858 20 0 CBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662749094 413991405 /nfs/dbraw/zinc/99/14/05/413991405.db2.gz KDAQWNOFEDYJMG-LBPRGKRZSA-N 2 0 285.388 -0.720 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662751284 413993403 /nfs/dbraw/zinc/99/34/03/413993403.db2.gz YPIOJKUIEJNFSI-ZJUUUORDSA-N 2 0 279.344 -0.355 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)C[NH+]1CCCCC1 ZINC000038042285 174045280 /nfs/dbraw/zinc/04/52/80/174045280.db2.gz GXLYNRXQEJTCHI-FRRDWIJNSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@H]1CCC[C@](CNC(=O)CNC(=O)C[NH3+])([NH+](C)C)C1 ZINC000040670440 174368269 /nfs/dbraw/zinc/36/82/69/174368269.db2.gz NAHWFDNBSARNGV-FZMZJTMJSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000419412065 287348868 /nfs/dbraw/zinc/34/88/68/287348868.db2.gz QLCZTSSZKDZJTP-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[C@@]1(C(=O)NC[C@H]2C[NH2+]CCN2C)CCC[NH2+]1 ZINC000449696765 287409430 /nfs/dbraw/zinc/40/94/30/287409430.db2.gz LEVOSBJLYRYPFU-YPMHNXCESA-N 2 0 254.378 -0.462 20 0 CBADRP [NH3+]C[C@@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000575179188 335076292 /nfs/dbraw/zinc/07/62/92/335076292.db2.gz JNPDUVZSPICMIV-WDEREUQCSA-N 2 0 268.361 -0.902 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000354694009 227074361 /nfs/dbraw/zinc/07/43/61/227074361.db2.gz PSTGQGIQYXMZBW-YPMHNXCESA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000331370144 228095933 /nfs/dbraw/zinc/09/59/33/228095933.db2.gz CXYDVNBEOXTAGB-DMDPSCGWSA-N 2 0 294.399 -0.465 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000078732834 544426644 /nfs/dbraw/zinc/42/66/44/544426644.db2.gz NLDQRAIWIILKCT-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085375848 544429894 /nfs/dbraw/zinc/42/98/94/544429894.db2.gz UZFHGGAXSYTRIJ-UTUOFQBUSA-N 2 0 254.378 -0.524 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000089700153 544436300 /nfs/dbraw/zinc/43/63/00/544436300.db2.gz PNSDGUZEJJMFPD-VIFPVBQESA-N 2 0 252.322 -0.939 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)nn1 ZINC000089699040 544436365 /nfs/dbraw/zinc/43/63/65/544436365.db2.gz OIOZEFHXTYXEEA-CMPLNLGQSA-N 2 0 278.360 -0.407 20 0 CBADRP [NH3+]CCn1cc(C(=O)NCCC[NH+]2CCCCC2)nn1 ZINC000089698510 544436510 /nfs/dbraw/zinc/43/65/10/544436510.db2.gz UXVMWGANYNXUFY-UHFFFAOYSA-N 2 0 280.376 -0.157 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000089698823 544436882 /nfs/dbraw/zinc/43/68/82/544436882.db2.gz IUWCQQGJFSQLMI-LLVKDONJSA-N 2 0 280.376 -0.159 20 0 CBADRP C[N@@H+]1CCC[C@@H](CNC(=O)COC2(C)C[NH2+]C2)C1 ZINC000098061727 544447127 /nfs/dbraw/zinc/44/71/27/544447127.db2.gz UQMBKRMGEKSLDD-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+]1CCC(CNC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000098061726 544447228 /nfs/dbraw/zinc/44/72/28/544447228.db2.gz XSGMROJRMGCJKK-UHFFFAOYSA-N 2 0 255.362 -0.177 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000226868559 544493447 /nfs/dbraw/zinc/49/34/47/544493447.db2.gz WTKZZIXMQNCYNR-WHOHXGKFSA-N 2 0 255.362 -0.038 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333497392 544544400 /nfs/dbraw/zinc/54/44/00/544544400.db2.gz FBOKMVLTIQDNQE-YFKTTZPYSA-N 2 0 252.362 -0.012 20 0 CBADRP COCC[NH2+]CC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000237243689 544508069 /nfs/dbraw/zinc/50/80/69/544508069.db2.gz HWUYYXPMQHFVML-UHFFFAOYSA-N 2 0 269.349 -0.381 20 0 CBADRP C[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+](C)C ZINC000237610561 544509996 /nfs/dbraw/zinc/50/99/96/544509996.db2.gz ZZTFIZKVZMOCGZ-WDEREUQCSA-N 2 0 270.377 -0.750 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000250519019 544513261 /nfs/dbraw/zinc/51/32/61/544513261.db2.gz RZOOXJAWUVGCSX-VXGBXAGGSA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@@H]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000261642973 544516010 /nfs/dbraw/zinc/51/60/10/544516010.db2.gz AWHKSXYJWFFRDJ-AGIUHOORSA-N 2 0 296.415 -0.170 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000262210383 544519230 /nfs/dbraw/zinc/51/92/30/544519230.db2.gz SYWDEELWKYJZMW-MDZLAQPJSA-N 2 0 284.404 -0.328 20 0 CBADRP CC(=O)N[C@@H]1CCN(C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000310909185 544529321 /nfs/dbraw/zinc/52/93/21/544529321.db2.gz QLMUWIFSBLZGBP-CHWSQXEVSA-N 2 0 257.378 -0.102 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000037631644 419409838 /nfs/dbraw/zinc/40/98/38/419409838.db2.gz QDGCCLRCNYENGY-OLZOCXBDSA-N 2 0 266.389 -0.365 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107370399 419483400 /nfs/dbraw/zinc/48/34/00/419483400.db2.gz XHEPWOJSWKLJRB-QWHCGFSZSA-N 2 0 268.405 -0.038 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000040633819 419420661 /nfs/dbraw/zinc/42/06/61/419420661.db2.gz NFZRQLVUQJYUTN-WCFLWFBJSA-N 2 0 267.373 -0.036 20 0 CBADRP CNC(=O)[C@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000043499899 419431293 /nfs/dbraw/zinc/43/12/93/419431293.db2.gz ZNRQARDTSQTYPE-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000043799428 419431963 /nfs/dbraw/zinc/43/19/63/419431963.db2.gz XKUGLBNIZIRQMP-GFCCVEGCSA-N 2 0 271.361 -0.845 20 0 CBADRP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](CCO)C[C@H]1C ZINC000660761450 419435038 /nfs/dbraw/zinc/43/50/38/419435038.db2.gz YVFVMAFWXJMDIM-ZIAGYGMSSA-N 2 0 273.421 -0.314 20 0 CBADRP C[NH+](C)C[C@@H]1CCCN1C(=O)CN1CC[NH2+]CC1 ZINC000061645135 419456788 /nfs/dbraw/zinc/45/67/88/419456788.db2.gz PVXMOTWURLEHDP-LBPRGKRZSA-N 2 0 254.378 -0.556 20 0 CBADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)N1CCCC1 ZINC000053298781 419457407 /nfs/dbraw/zinc/45/74/07/419457407.db2.gz NKLXLWICNLHQEZ-UHFFFAOYSA-N 2 0 282.388 -0.638 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973522 419458020 /nfs/dbraw/zinc/45/80/20/419458020.db2.gz VIPJYKOJHJERSD-AWEZNQCLSA-N 2 0 280.416 -0.022 20 0 CBADRP C[NH+](C)C[C@H]1CCCN1C(=O)CN1CC[NH2+]CC1 ZINC000061645136 419458413 /nfs/dbraw/zinc/45/84/13/419458413.db2.gz PVXMOTWURLEHDP-GFCCVEGCSA-N 2 0 254.378 -0.556 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)CCC(C)(C)[NH3+] ZINC000070088566 419466054 /nfs/dbraw/zinc/46/60/54/419466054.db2.gz RYMJIRXSDDWGNK-LLVKDONJSA-N 2 0 256.394 -0.134 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)CCC[NH3+])CC1 ZINC000082257104 419466450 /nfs/dbraw/zinc/46/64/50/419466450.db2.gz LGLKAZXZZWWYAX-UHFFFAOYSA-N 2 0 256.394 -0.131 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000082258032 419471363 /nfs/dbraw/zinc/47/13/63/419471363.db2.gz AMDVHNPYMNYZCY-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NC1CC[NH+](C)CC1 ZINC000187079407 419520341 /nfs/dbraw/zinc/52/03/41/419520341.db2.gz DPVSXRHFFAIPDO-UHFFFAOYSA-N 2 0 272.393 -0.306 20 0 CBADRP C[NH2+]CC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000193129874 419542701 /nfs/dbraw/zinc/54/27/01/419542701.db2.gz KWWKVKVCWBKDLW-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662262944 419568120 /nfs/dbraw/zinc/56/81/20/419568120.db2.gz YLDVTRUSECFPTM-CQSZACIVSA-N 2 0 298.431 -0.539 20 0 CBADRP C[C@@H](C(=O)N(C)C)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662157885 419550933 /nfs/dbraw/zinc/55/09/33/419550933.db2.gz SQRCIQQJWYPWQB-WCQYABFASA-N 2 0 269.389 -0.006 20 0 CBADRP CCN1CC[C@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000662244513 419556539 /nfs/dbraw/zinc/55/65/39/419556539.db2.gz RAFGYSHIIASIGT-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP O=C([C@@H]1CCC[N@H+](C[C@H]2CNCCO2)C1)N1CC[NH2+]CC1 ZINC000662243513 419557798 /nfs/dbraw/zinc/55/77/98/419557798.db2.gz MKUZDCKRDNITRL-ZIAGYGMSSA-N 2 0 296.415 -0.881 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662242024 419558578 /nfs/dbraw/zinc/55/85/78/419558578.db2.gz AQRATRKZHQWSBT-OLZOCXBDSA-N 3 0 296.415 -0.706 20 0 CBADRP CCN1CC[C@@H]([N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000662244517 419559844 /nfs/dbraw/zinc/55/98/44/419559844.db2.gz RAFGYSHIIASIGT-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP [NH3+]CCCOC1CC[NH+](C[C@@H]2CNCCO2)CC1 ZINC000662247676 419561146 /nfs/dbraw/zinc/56/11/46/419561146.db2.gz JAMURTLVLKQPIB-ZDUSSCGKSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@H](CNC(=O)COC1(C)C[NH2+]C1)[N@H+](C)C1CC1 ZINC000219044080 419565050 /nfs/dbraw/zinc/56/50/50/419565050.db2.gz FUZNFTVXTGQYNJ-SNVBAGLBSA-N 2 0 255.362 -0.036 20 0 CBADRP Cn1nc2c(cc1=O)C[N@@H+](C[C@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662257849 419566680 /nfs/dbraw/zinc/56/66/80/419566680.db2.gz SCVNGQVUXIQTFQ-GFCCVEGCSA-N 2 0 290.367 -0.341 20 0 CBADRP CCN1CC[C@H]([N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1=O ZINC000662275338 419567041 /nfs/dbraw/zinc/56/70/41/419567041.db2.gz AOGYQYRCXIRQMH-STQMWFEESA-N 2 0 266.389 -0.413 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)c2cn(CC[NH3+])nn2)C[N@@H+]1C1CC1 ZINC000662539651 419633539 /nfs/dbraw/zinc/63/35/39/419633539.db2.gz GWAOCUOFAWPTBB-NXEZZACHSA-N 2 0 278.360 -0.408 20 0 CBADRP Cn1cnnc1N1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662284630 419574065 /nfs/dbraw/zinc/57/40/65/419574065.db2.gz NXGKLNWOUVCXMY-GFCCVEGCSA-N 2 0 292.387 -0.542 20 0 CBADRP CC(C)(C)n1nnc(CCNC2(CO)CC[NH2+]CC2)n1 ZINC000662284096 419574876 /nfs/dbraw/zinc/57/48/76/419574876.db2.gz LKFZQYMOTZESRI-UHFFFAOYSA-N 2 0 282.392 -0.325 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCC[NH3+] ZINC000237027616 419575320 /nfs/dbraw/zinc/57/53/20/419575320.db2.gz WNWKUBHIFFMRDL-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP O=C(CC[N@@H+]1CC[C@@H](Cn2ccnn2)C1)N1CC[NH2+]CC1 ZINC000662295460 419581178 /nfs/dbraw/zinc/58/11/78/419581178.db2.gz KFUUUSHMFQKEKO-CYBMUJFWSA-N 2 0 292.387 -0.578 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394382976 544581678 /nfs/dbraw/zinc/58/16/78/544581678.db2.gz UZRFZAGICKLTSV-NEPJUHHUSA-N 2 0 254.378 -0.380 20 0 CBADRP CN(C)S(=O)(=O)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000662304542 419583236 /nfs/dbraw/zinc/58/32/36/419583236.db2.gz ALPQZUDATDXRTO-LBPRGKRZSA-N 2 0 290.433 -0.590 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000394382406 544581778 /nfs/dbraw/zinc/58/17/78/544581778.db2.gz VZLAVGKDXDJTEN-RDBSUJKOSA-N 2 0 280.416 -0.119 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000394382404 544581888 /nfs/dbraw/zinc/58/18/88/544581888.db2.gz VZLAVGKDXDJTEN-MCIONIFRSA-N 2 0 280.416 -0.119 20 0 CBADRP C[C@H]([NH3+])CCC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394382979 544581959 /nfs/dbraw/zinc/58/19/59/544581959.db2.gz UZRFZAGICKLTSV-RYUDHWBXSA-N 2 0 254.378 -0.380 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@H]1CCCC[NH2+]1 ZINC000394383770 544581975 /nfs/dbraw/zinc/58/19/75/544581975.db2.gz FURZUBSGPUZNSJ-CHWSQXEVSA-N 2 0 266.389 -0.365 20 0 CBADRP C[C@]1(C(N)=O)CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662314321 419585177 /nfs/dbraw/zinc/58/51/77/419585177.db2.gz DVPHOPQOMHBKAK-JQWIXIFHSA-N 2 0 253.346 -0.295 20 0 CBADRP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000662317207 419587380 /nfs/dbraw/zinc/58/73/80/419587380.db2.gz NREBDFOLEQQEPY-LLVKDONJSA-N 2 0 258.366 -0.351 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662340754 419588306 /nfs/dbraw/zinc/58/83/06/419588306.db2.gz HOCNMTQQXWEQNR-YNEHKIRRSA-N 2 0 296.415 -0.299 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](CN2CCC[C@@H]([NH3+])C2)C1 ZINC000647482262 419592179 /nfs/dbraw/zinc/59/21/79/419592179.db2.gz RFXWWTOYCUAWOB-VXGBXAGGSA-N 2 0 254.378 -0.393 20 0 CBADRP O=C(NCCC[NH2+]Cc1cccnc1)C1(O)C[NH2+]C1 ZINC000662397370 419595071 /nfs/dbraw/zinc/59/50/71/419595071.db2.gz BHGBGWXXWSUQNY-UHFFFAOYSA-N 2 0 264.329 -0.988 20 0 CBADRP C[N@H+](C[C@@H](O)CNC[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000647517310 419595586 /nfs/dbraw/zinc/59/55/86/419595586.db2.gz DHVOFBCQXBHMBW-UONOGXRCSA-N 2 0 271.405 -0.512 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662403238 419595635 /nfs/dbraw/zinc/59/56/35/419595635.db2.gz BXXQCIGHWMAWGJ-SNVBAGLBSA-N 2 0 268.361 -0.819 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000662401199 419595755 /nfs/dbraw/zinc/59/57/55/419595755.db2.gz PNMJZHFFKLEYCT-LLVKDONJSA-N 2 0 254.378 -0.604 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000662405125 419597081 /nfs/dbraw/zinc/59/70/81/419597081.db2.gz KQKLOAHSJUEMKM-GHMZBOCLSA-N 2 0 270.377 -0.702 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662401708 419597195 /nfs/dbraw/zinc/59/71/95/419597195.db2.gz QMEQXKXAGRAJBG-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[NH2+]CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662408827 419598676 /nfs/dbraw/zinc/59/86/76/419598676.db2.gz BDAYXVOCHLZYQL-LLVKDONJSA-N 2 0 280.376 -0.068 20 0 CBADRP CC[NH2+]CCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662409713 419599180 /nfs/dbraw/zinc/59/91/80/419599180.db2.gz PNJZONISHMOCTA-SECBINFHSA-N 2 0 251.334 -0.174 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662412709 419599423 /nfs/dbraw/zinc/59/94/23/419599423.db2.gz SRWULSWDRHRBQU-NXEZZACHSA-N 2 0 263.345 -0.032 20 0 CBADRP CN(C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000662414990 419599786 /nfs/dbraw/zinc/59/97/86/419599786.db2.gz KJHABQGMFSXDBK-UWVGGRQHSA-N 2 0 263.345 -0.080 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662412711 419599864 /nfs/dbraw/zinc/59/98/64/419599864.db2.gz SRWULSWDRHRBQU-VHSXEESVSA-N 2 0 263.345 -0.032 20 0 CBADRP O=C(NCC[NH2+]C1CCCCCC1)C1(O)C[NH2+]C1 ZINC000662420110 419599952 /nfs/dbraw/zinc/59/99/52/419599952.db2.gz CILMJJQUIGESQF-UHFFFAOYSA-N 2 0 255.362 -0.251 20 0 CBADRP [NH3+]C1(CC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000398073110 544583703 /nfs/dbraw/zinc/58/37/03/544583703.db2.gz JUQNSVLIFQVDKX-NSHDSACASA-N 2 0 252.362 -0.626 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](CN2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000647534024 419601608 /nfs/dbraw/zinc/60/16/08/419601608.db2.gz DREBDJNWPWKAAV-RDBSUJKOSA-N 2 0 280.416 -0.133 20 0 CBADRP C[NH2+]C[C@H](O)CNC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647526525 419601696 /nfs/dbraw/zinc/60/16/96/419601696.db2.gz APXABEDMIXEIAE-GJZGRUSLSA-N 2 0 281.400 -0.351 20 0 CBADRP CN1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)[C@H](C[NH3+])C1 ZINC000662430448 419603545 /nfs/dbraw/zinc/60/35/45/419603545.db2.gz XMDGDCRXAVMXII-SECBINFHSA-N 2 0 281.360 -0.417 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(CO)cc2)CC1 ZINC000647523052 419603527 /nfs/dbraw/zinc/60/35/27/419603527.db2.gz KUCOSHLZLPOAES-INIZCTEOSA-N 2 0 293.411 -0.123 20 0 CBADRP CC(C)[C@@H](O)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000647527140 419603912 /nfs/dbraw/zinc/60/39/12/419603912.db2.gz SNFNZVQMUIQYPY-KBPBESRZSA-N 2 0 273.421 -0.409 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000647542308 419606281 /nfs/dbraw/zinc/60/62/81/419606281.db2.gz OGUBTHNPDAYHLJ-MGPQQGTHSA-N 3 0 280.416 -0.133 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000662441604 419606966 /nfs/dbraw/zinc/60/69/66/419606966.db2.gz KSOCAJDYIHYYPF-LLVKDONJSA-N 2 0 296.375 -0.923 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])COC(C)C ZINC000662441372 419607203 /nfs/dbraw/zinc/60/72/03/419607203.db2.gz FVLCYDVKZMIOHV-OLZOCXBDSA-N 2 0 287.404 -0.034 20 0 CBADRP Nc1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cn1 ZINC000647541133 419607264 /nfs/dbraw/zinc/60/72/64/419607264.db2.gz AHZIMJVOFZZDIK-ZDUSSCGKSA-N 2 0 261.373 0.143 20 0 CBADRP CC(C)[NH2+]CC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000662448541 419608943 /nfs/dbraw/zinc/60/89/43/419608943.db2.gz CPDBQJOPINAYHO-GFCCVEGCSA-N 2 0 256.394 -0.264 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000662453646 419609709 /nfs/dbraw/zinc/60/97/09/419609709.db2.gz DAHQVAPMMDYEQV-NSHDSACASA-N 2 0 280.376 -0.159 20 0 CBADRP C[C@H](NC(=O)COC1(C)C[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000647723928 419640302 /nfs/dbraw/zinc/64/03/02/419640302.db2.gz AUWSDAQNLVMPFW-WDEREUQCSA-N 2 0 255.362 -0.131 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662457233 419611854 /nfs/dbraw/zinc/61/18/54/419611854.db2.gz JTURCHPCKGYKJA-UHFFFAOYSA-N 2 0 268.365 -0.302 20 0 CBADRP CC(C)(C)[NH2+]CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662467896 419613291 /nfs/dbraw/zinc/61/32/91/419613291.db2.gz LJDQJRFKNVXJBC-UHFFFAOYSA-N 2 0 254.338 -0.645 20 0 CBADRP CC(C)[NH2+]CC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000662463638 419615333 /nfs/dbraw/zinc/61/53/33/419615333.db2.gz CIGCLHIIDMKMNA-LBPRGKRZSA-N 2 0 256.394 -0.264 20 0 CBADRP COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000401791260 544585334 /nfs/dbraw/zinc/58/53/34/544585334.db2.gz HDLFYFMHVKCOCM-ZIAGYGMSSA-N 2 0 290.404 -0.601 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000647595163 419619270 /nfs/dbraw/zinc/61/92/70/419619270.db2.gz QXFWTSHKBWNOKP-LOWVWBTDSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000647594965 419620659 /nfs/dbraw/zinc/62/06/59/419620659.db2.gz BFNXUASTMRCRFD-HBNTYKKESA-N 2 0 284.404 -0.173 20 0 CBADRP COC1(C(=O)NCCOCC[NH+](C)C)CC[NH2+]CC1 ZINC000311548417 419621103 /nfs/dbraw/zinc/62/11/03/419621103.db2.gz KYZBMNVEFDUYJU-UHFFFAOYSA-N 2 0 273.377 -0.551 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000647606008 419623789 /nfs/dbraw/zinc/62/37/89/419623789.db2.gz XEPJKSASDUUOIR-YPMHNXCESA-N 2 0 284.404 -0.456 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000311854134 419625950 /nfs/dbraw/zinc/62/59/50/419625950.db2.gz JBCIFLGMQARQBG-ZDUSSCGKSA-N 2 0 273.377 -0.693 20 0 CBADRP [NH3+][C@H]1CCCCN(CC(=O)N[C@@H]2CCC[NH2+]C2)C1=O ZINC000647640507 419627483 /nfs/dbraw/zinc/62/74/83/419627483.db2.gz OBBCSTZMYCSFMT-MNOVXSKESA-N 2 0 268.361 -0.806 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000662516315 419629442 /nfs/dbraw/zinc/62/94/42/419629442.db2.gz DYJVBBQXSCSBAW-RYUDHWBXSA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)[NH+](C)C ZINC000662527669 419629916 /nfs/dbraw/zinc/62/99/16/419629916.db2.gz XRDZBEWAZXPEBP-SNVBAGLBSA-N 2 0 280.376 -0.118 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000662640604 419661562 /nfs/dbraw/zinc/66/15/62/419661562.db2.gz TUZYRNGAJNIIKY-OXIWPEFWSA-N 2 0 267.373 -0.003 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)COC2(C)C[NH2+]C2)C1 ZINC000647818207 419661596 /nfs/dbraw/zinc/66/15/96/419661596.db2.gz CTEBZNCEUVJFDM-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP CN1CCN(C(=O)CC[N@@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000647830265 419664123 /nfs/dbraw/zinc/66/41/23/419664123.db2.gz FCSYPAJOJPHFKT-GFCCVEGCSA-N 2 0 254.378 -0.569 20 0 CBADRP [NH3+]C1(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCCC1 ZINC000662648898 419665228 /nfs/dbraw/zinc/66/52/28/419665228.db2.gz YMGUOEBEHBYZNM-GWCFXTLKSA-N 2 0 253.346 -0.390 20 0 CBADRP O=C(CCn1ccnc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405409007 544589641 /nfs/dbraw/zinc/58/96/41/544589641.db2.gz MNFAVBZRHKLWCA-NWDGAFQWSA-N 2 0 264.329 -0.449 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000662659223 419672960 /nfs/dbraw/zinc/67/29/60/419672960.db2.gz JSHDTIIBIZBYQK-SNVBAGLBSA-N 2 0 258.366 -0.798 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000662659556 419675788 /nfs/dbraw/zinc/67/57/88/419675788.db2.gz NJCCYDUCURPCLH-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP C[NH+](C)CCOc1cccc(CNC(=O)C2(O)C[NH2+]C2)c1 ZINC000662674316 419677295 /nfs/dbraw/zinc/67/72/95/419677295.db2.gz AQYRLNMZIWLEPW-UHFFFAOYSA-N 2 0 293.367 -0.423 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000647863819 419677855 /nfs/dbraw/zinc/67/78/55/419677855.db2.gz KWARMMKSWASFMP-NSHDSACASA-N 2 0 284.404 -0.312 20 0 CBADRP CN1CCN(C(=O)[C@@H]2CCc3ncncc3C2)[C@@H](C[NH3+])C1 ZINC000647874200 419678729 /nfs/dbraw/zinc/67/87/29/419678729.db2.gz GUZYHLPWXAANBD-YPMHNXCESA-N 2 0 289.383 -0.317 20 0 CBADRP COC[C@]1(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CCC[NH2+]1 ZINC000647876913 419679919 /nfs/dbraw/zinc/67/99/19/419679919.db2.gz CIZPWDOOPIHWOD-LOWVWBTDSA-N 2 0 271.361 -0.670 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)[C@H](C[NH3+])C1 ZINC000647874211 419680739 /nfs/dbraw/zinc/68/07/39/419680739.db2.gz IMHAKJVDTTXVLD-ZJUUUORDSA-N 3 0 276.331 -0.668 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC000662680531 419681018 /nfs/dbraw/zinc/68/10/18/419681018.db2.gz IRYARYZAOIVOAL-XYPYZODXSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCN(C)C[C@H]2C[NH3+])CC[N@@H+]1C ZINC000647874486 419681559 /nfs/dbraw/zinc/68/15/59/419681559.db2.gz ZSXAAOBIVIZQEM-IJLUTSLNSA-N 3 0 254.378 -0.572 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)C1(O)C[NH2+]C1)c1ccc(F)cc1 ZINC000662680788 419681478 /nfs/dbraw/zinc/68/14/78/419681478.db2.gz YOOQFOWBWABZLE-LBPRGKRZSA-N 2 0 281.331 -0.121 20 0 CBADRP O=C(N1CCC(C[NH+]2CCCC2)CC1)C1(O)C[NH2+]C1 ZINC000662682037 419681911 /nfs/dbraw/zinc/68/19/11/419681911.db2.gz DDCPSPHFOCEMAV-UHFFFAOYSA-N 2 0 267.373 -0.345 20 0 CBADRP COC[C@]1(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CCC[NH2+]1 ZINC000647876912 419681836 /nfs/dbraw/zinc/68/18/36/419681836.db2.gz CIZPWDOOPIHWOD-GVXVVHGQSA-N 2 0 271.361 -0.670 20 0 CBADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662683431 419682545 /nfs/dbraw/zinc/68/25/45/419682545.db2.gz OEZKNPLCHVUYGS-LBPRGKRZSA-N 2 0 269.389 -0.051 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662685879 419682640 /nfs/dbraw/zinc/68/26/40/419682640.db2.gz ZYHVHEBTHDMUHS-RYUDHWBXSA-N 2 0 273.377 -0.565 20 0 CBADRP C[C@]1(CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CCC[NH2+]C1 ZINC000662765380 419714776 /nfs/dbraw/zinc/71/47/76/419714776.db2.gz SIDFGHBDSCAHEC-MDZLAQPJSA-N 2 0 255.362 -0.144 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000647882233 419683088 /nfs/dbraw/zinc/68/30/88/419683088.db2.gz ZICWKJKKUCDJFR-LLVKDONJSA-N 2 0 256.350 -0.549 20 0 CBADRP NC(=O)[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647883328 419684945 /nfs/dbraw/zinc/68/49/45/419684945.db2.gz FHTBJRMJOUOCTL-LBPRGKRZSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H]1CCC[C@](CNC(=O)C2(O)C[NH2+]C2)([NH+](C)C)C1 ZINC000662693764 419686000 /nfs/dbraw/zinc/68/60/00/419686000.db2.gz XRILZHLKTMNUHD-YPMHNXCESA-N 2 0 269.389 -0.053 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CCO1 ZINC000662765923 419714925 /nfs/dbraw/zinc/71/49/25/419714925.db2.gz GFOPKFDNPDEYKC-WPRPVWTQSA-N 2 0 281.278 -0.286 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCO[C@@H]1C[NH3+])C1CC1 ZINC000662688547 419686922 /nfs/dbraw/zinc/68/69/22/419686922.db2.gz PXTVAVAOUSHDRU-QJPTWQEYSA-N 2 0 255.362 -0.193 20 0 CBADRP C[C@H]1C[NH+](CCCCNC(=O)C2(O)C[NH2+]C2)C[C@H](C)O1 ZINC000662693165 419687063 /nfs/dbraw/zinc/68/70/63/419687063.db2.gz QYHGHFQBDJYDLY-RYUDHWBXSA-N 2 0 285.388 -0.674 20 0 CBADRP C[NH+]1CCC(CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662700008 419690635 /nfs/dbraw/zinc/69/06/35/419690635.db2.gz GTKWWRGDQVFNPJ-NEPJUHHUSA-N 2 0 255.362 -0.192 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000417283721 544590663 /nfs/dbraw/zinc/59/06/63/544590663.db2.gz DAWUMTLVWBFMLU-QWHCGFSZSA-N 2 0 285.436 -0.081 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000417283715 544590807 /nfs/dbraw/zinc/59/08/07/544590807.db2.gz DAWUMTLVWBFMLU-CHWSQXEVSA-N 2 0 285.436 -0.081 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)N(CC[NH3+])CCO ZINC000417288941 544590980 /nfs/dbraw/zinc/59/09/80/544590980.db2.gz OQQIPDUHUKSZRU-LLVKDONJSA-N 2 0 260.382 -0.321 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CC2([NH3+])CC2)C1 ZINC000662706440 419694339 /nfs/dbraw/zinc/69/43/39/419694339.db2.gz VWIVPERELPGSNZ-LLVKDONJSA-N 2 0 282.388 -0.429 20 0 CBADRP CC1([NH3+])CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000647924930 419694475 /nfs/dbraw/zinc/69/44/75/419694475.db2.gz WDVBGRAOSMENMG-UHFFFAOYSA-N 3 0 254.378 -0.379 20 0 CBADRP C[NH2+]CCN(C)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000417559921 544591130 /nfs/dbraw/zinc/59/11/30/544591130.db2.gz ATEFFDYISHJRSK-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662704035 419695097 /nfs/dbraw/zinc/69/50/97/419695097.db2.gz SBLHZOQEYYNUGE-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662715335 419697479 /nfs/dbraw/zinc/69/74/79/419697479.db2.gz HEULSJDDJXISGV-XIRUVYRFSA-N 2 0 275.356 -0.032 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000662716927 419697695 /nfs/dbraw/zinc/69/76/95/419697695.db2.gz KSLCBLBWJYEYOW-CRWXNKLISA-N 2 0 297.399 -0.592 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)NCC12CC(C1)C[NH2+]2 ZINC000662718992 419698004 /nfs/dbraw/zinc/69/80/04/419698004.db2.gz UAFZYEHEGBSPQY-YZRBJQDESA-N 2 0 255.387 -0.050 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC000662721165 419700581 /nfs/dbraw/zinc/70/05/81/419700581.db2.gz KNVFCPZPOLVEPU-TUAOUCFPSA-N 2 0 271.361 -0.813 20 0 CBADRP CN(C)C(=O)[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CCN1 ZINC000647989966 419703754 /nfs/dbraw/zinc/70/37/54/419703754.db2.gz KTJJUPSSGNOCRG-ZDUSSCGKSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662745102 419705432 /nfs/dbraw/zinc/70/54/32/419705432.db2.gz FNDXHGDNRRZLJM-JTQLQIEISA-N 2 0 266.349 -0.692 20 0 CBADRP C[NH+](C)C1(CNC(=O)C2(O)C[NH2+]C2)Cc2ccccc2C1 ZINC000662742354 419705524 /nfs/dbraw/zinc/70/55/24/419705524.db2.gz TWVKWBTZKKOMTK-UHFFFAOYSA-N 2 0 289.379 -0.464 20 0 CBADRP C[C@@H](CNC(=O)C1(O)C[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000662731090 419705648 /nfs/dbraw/zinc/70/56/48/419705648.db2.gz XYRMXWGYVNHBFT-LBPRGKRZSA-N 2 0 277.368 -0.043 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000662744615 419706310 /nfs/dbraw/zinc/70/63/10/419706310.db2.gz AHBSWXBXWWBGNG-AVGNSLFASA-N 2 0 267.373 -0.096 20 0 CBADRP O=C(N1CCC[C@@H]([NH+]2CCCC2)CC1)C1(O)C[NH2+]C1 ZINC000662741105 419707786 /nfs/dbraw/zinc/70/77/86/419707786.db2.gz KNUZJUAHYOVWNW-GFCCVEGCSA-N 2 0 267.373 -0.202 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662754121 419709404 /nfs/dbraw/zinc/70/94/04/419709404.db2.gz DMZOPIWXBFLRBJ-XEZLXBQYSA-N 2 0 267.373 -0.051 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662758101 419709490 /nfs/dbraw/zinc/70/94/90/419709490.db2.gz RLZOGIIHHFMRCT-WDEREUQCSA-N 2 0 280.376 -0.083 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662758389 419711570 /nfs/dbraw/zinc/71/15/70/419711570.db2.gz RFUZRXMHWDNJIN-AVGNSLFASA-N 2 0 268.405 -0.134 20 0 CBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000662769482 419713317 /nfs/dbraw/zinc/71/33/17/419713317.db2.gz FFXNGCHBXDXLRO-WHOHXGKFSA-N 2 0 253.346 -0.297 20 0 CBADRP CC1(CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC[NH2+]CC1 ZINC000662765010 419713475 /nfs/dbraw/zinc/71/34/75/419713475.db2.gz PZFSZFJZIPAFRC-MNOVXSKESA-N 2 0 255.362 -0.144 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000647769729 419651059 /nfs/dbraw/zinc/65/10/59/419651059.db2.gz HAOFDNWSMAWYLG-ZDUSSCGKSA-N 2 0 254.378 -0.650 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000405408303 544588028 /nfs/dbraw/zinc/58/80/28/544588028.db2.gz SMLMJCVCHNBVNX-SDDRHHMPSA-N 2 0 253.346 -0.785 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N(C)CCN2CC[NH2+]CC2)C1 ZINC000647779190 419653206 /nfs/dbraw/zinc/65/32/06/419653206.db2.gz VDTLFRTZJNHEOQ-OLZOCXBDSA-N 2 0 268.405 -0.262 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000647777150 419654975 /nfs/dbraw/zinc/65/49/75/419654975.db2.gz BHESKTRFOPCVCI-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647777309 419654996 /nfs/dbraw/zinc/65/49/96/419654996.db2.gz KBJRXQHFOANZPD-VXGBXAGGSA-N 2 0 254.378 -0.652 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662619458 419655073 /nfs/dbraw/zinc/65/50/73/419655073.db2.gz LTUZGSZXHZDVCT-SNVBAGLBSA-N 2 0 280.376 -0.161 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000647777238 419655421 /nfs/dbraw/zinc/65/54/21/419655421.db2.gz GIEXMKJAGIKVFB-ZDUSSCGKSA-N 2 0 280.416 -0.260 20 0 CBADRP C[C@@H]1CN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)CC[NH2+]1 ZINC000647807488 419657261 /nfs/dbraw/zinc/65/72/61/419657261.db2.gz CHPQINFRFKRXBI-MNOVXSKESA-N 2 0 268.361 -0.854 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662630391 419657414 /nfs/dbraw/zinc/65/74/14/419657414.db2.gz DGPPDRUWRJIFSK-ZFWWWQNUSA-N 2 0 298.431 -0.778 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCN(C)CCC[NH+](C)C ZINC000662632680 419657639 /nfs/dbraw/zinc/65/76/39/419657639.db2.gz SQYVUVDOSVAVSK-QWHCGFSZSA-N 2 0 270.421 -0.016 20 0 CBADRP O=C(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CC[NH2+]CC1 ZINC000647799725 419657715 /nfs/dbraw/zinc/65/77/15/419657715.db2.gz PGCAJXZZONCFFS-FRRDWIJNSA-N 3 0 266.389 -0.604 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCN(C)CCC[NH+](C)C ZINC000662630596 419658194 /nfs/dbraw/zinc/65/81/94/419658194.db2.gz FZNKIVPESFTGII-VXGBXAGGSA-N 2 0 258.410 -0.031 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCN(C)CCC[NH+](C)C ZINC000662632604 419660130 /nfs/dbraw/zinc/66/01/30/419660130.db2.gz REDFSKUYLGOFGF-LBPRGKRZSA-N 2 0 258.410 -0.031 20 0 CBADRP C[C@@H](CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000662633272 419660245 /nfs/dbraw/zinc/66/02/45/419660245.db2.gz JTEGNNJDTMQUAX-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1(O)C[NH2+]C1 ZINC000662794501 419727344 /nfs/dbraw/zinc/72/73/44/419727344.db2.gz RDUPSCHBRQFSEV-GXTWGEPZSA-N 2 0 289.379 -0.043 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C3(O)C[NH2+]C3)CC[C@@H]21 ZINC000662802703 419729090 /nfs/dbraw/zinc/72/90/90/419729090.db2.gz BXHIFYXCINJJRD-QWRGUYRKSA-N 2 0 253.346 -0.737 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000648108897 419730545 /nfs/dbraw/zinc/73/05/45/419730545.db2.gz AYVUTWPPRLNBIL-FMSGJZPZSA-N 2 0 296.415 -0.328 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000648108900 419731720 /nfs/dbraw/zinc/73/17/20/419731720.db2.gz AYVUTWPPRLNBIL-SFTQSGBHSA-N 2 0 296.415 -0.328 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000648108898 419731987 /nfs/dbraw/zinc/73/19/87/419731987.db2.gz AYVUTWPPRLNBIL-MNXVOIDGSA-N 2 0 296.415 -0.328 20 0 CBADRP CC1(OCC(=O)NC[C@]2(C)CCC[NH2+]C2)C[NH2+]C1 ZINC000648109030 419732457 /nfs/dbraw/zinc/73/24/57/419732457.db2.gz OJURJLHSFZZYIC-GFCCVEGCSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)[C@@H]1C[NH2+]CCO1 ZINC000648106698 419732666 /nfs/dbraw/zinc/73/26/66/419732666.db2.gz NZLLFNORCGAEBM-LBPRGKRZSA-N 2 0 262.313 -0.346 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])nn1 ZINC000662819532 419735975 /nfs/dbraw/zinc/73/59/75/419735975.db2.gz LNMNICJKYQZRPR-RKDXNWHRSA-N 2 0 252.322 -0.764 20 0 CBADRP CC(C)([NH3+])c1cc(C(=O)NC[C@@H]2C[NH2+]CCO2)on1 ZINC000662816690 419736668 /nfs/dbraw/zinc/73/66/68/419736668.db2.gz YJYFOEDRUBRLSI-QMMMGPOBSA-N 2 0 268.317 -0.413 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000648124009 419738155 /nfs/dbraw/zinc/73/81/55/419738155.db2.gz NVUYAOZOAWGLQH-DDHJBXDOSA-N 2 0 253.346 -0.426 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000648121954 419740271 /nfs/dbraw/zinc/74/02/71/419740271.db2.gz CIXUFSNGQFFDRC-NHCYSSNCSA-N 2 0 270.377 -0.528 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000648121955 419740456 /nfs/dbraw/zinc/74/04/56/419740456.db2.gz CIXUFSNGQFFDRC-SCVCMEIPSA-N 2 0 270.377 -0.528 20 0 CBADRP O=C([C@@H]1C[NH2+]CCOC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000648124106 419740489 /nfs/dbraw/zinc/74/04/89/419740489.db2.gz QZGUJBNRQLIALT-QJPTWQEYSA-N 2 0 253.346 -0.567 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662831495 419740847 /nfs/dbraw/zinc/74/08/47/419740847.db2.gz ATGOTFHYYFNGJC-CQSZACIVSA-N 2 0 299.415 -0.064 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC000662829279 419741492 /nfs/dbraw/zinc/74/14/92/419741492.db2.gz BXUYROZQLQITPQ-NEPJUHHUSA-N 2 0 255.362 -0.144 20 0 CBADRP C[N@@H+]1CC[C@](N)(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000648124343 419741469 /nfs/dbraw/zinc/74/14/69/419741469.db2.gz XWPRABGMAWEYST-DMDPSCGWSA-N 2 0 252.362 -0.770 20 0 CBADRP O=C(N1CCC[C@@H]([NH+]2CCOCC2)CC1)C1(O)C[NH2+]C1 ZINC000662833599 419743008 /nfs/dbraw/zinc/74/30/08/419743008.db2.gz STNFCCFJQYJITA-GFCCVEGCSA-N 2 0 283.372 -0.966 20 0 CBADRP O=C(N1CCC[C@H]([NH+]2CCOCC2)CC1)C1(O)C[NH2+]C1 ZINC000662833601 419743964 /nfs/dbraw/zinc/74/39/64/419743964.db2.gz STNFCCFJQYJITA-LBPRGKRZSA-N 2 0 283.372 -0.966 20 0 CBADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1(O)C[NH2+]C1 ZINC000662835053 419744104 /nfs/dbraw/zinc/74/41/04/419744104.db2.gz KIEHYOFOYSQJOI-MNOVXSKESA-N 2 0 253.346 -0.546 20 0 CBADRP CC1(OCC(=O)N2CCC[C@@H](CC[NH3+])C2)C[NH2+]C1 ZINC000648130109 419746301 /nfs/dbraw/zinc/74/63/01/419746301.db2.gz IVJREKOCOLAMCS-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP O=C(N1CC[C@@H]2OCC[NH2+][C@@H]2C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000648135567 419748933 /nfs/dbraw/zinc/74/89/33/419748933.db2.gz WVWPTLMAOHUXIY-GUIRCDHDSA-N 2 0 279.384 -0.035 20 0 CBADRP COC1(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC[NH2+]CC1 ZINC000648146872 419755299 /nfs/dbraw/zinc/75/52/99/419755299.db2.gz OHXMDNXDIBGKNO-VIFPVBQESA-N 2 0 277.315 -0.132 20 0 CBADRP CN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)C1(C[NH3+])CCC1 ZINC000648147434 419755938 /nfs/dbraw/zinc/75/59/38/419755938.db2.gz YLXAPLSTWAQHGI-NSHDSACASA-N 2 0 282.388 -0.334 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@@H+]1C ZINC000648148382 419760493 /nfs/dbraw/zinc/76/04/93/419760493.db2.gz BIWOMVFLTCYPLD-GRYCIOLGSA-N 2 0 255.362 -0.179 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)COCC[NH3+])C1 ZINC000648157931 419761743 /nfs/dbraw/zinc/76/17/43/419761743.db2.gz VWFZFMIENRFEGQ-NEPJUHHUSA-N 2 0 255.362 -0.096 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000648176437 419767338 /nfs/dbraw/zinc/76/73/38/419767338.db2.gz RFZBLBUTPBGBPN-XQQFMLRXSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H]1CCN(C(=O)COC2(C)C[NH2+]C2)C[C@H]1C[NH3+] ZINC000648177702 419769066 /nfs/dbraw/zinc/76/90/66/419769066.db2.gz OXEIJUPNEABWIQ-GHMZBOCLSA-N 2 0 255.362 -0.192 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CCCO1 ZINC000648177564 419770043 /nfs/dbraw/zinc/77/00/43/419770043.db2.gz HNIIKUBYDJIUAY-VHSXEESVSA-N 2 0 277.315 -0.193 20 0 CBADRP CC1(OCC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[NH2+]C1 ZINC000662915787 419771871 /nfs/dbraw/zinc/77/18/71/419771871.db2.gz OUUMVVYYILELGS-CYBMUJFWSA-N 2 0 297.399 -0.266 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C12CCCC2)[C@H]1C[NH2+]CCO1 ZINC000648205556 419773137 /nfs/dbraw/zinc/77/31/37/419773137.db2.gz IYIQTYNUSBVEQH-GHMZBOCLSA-N 2 0 253.346 -0.234 20 0 CBADRP COC1(C(=O)NCC23CC(C2)C[NH2+]3)CC[NH2+]CC1 ZINC000662924403 419777190 /nfs/dbraw/zinc/77/71/90/419777190.db2.gz AGVOGCYEHBJHPP-UHFFFAOYSA-N 2 0 253.346 -0.377 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000662924330 419779501 /nfs/dbraw/zinc/77/95/01/419779501.db2.gz WROWUYIHLVOHLR-UHFFFAOYSA-N 2 0 296.415 -0.120 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000662929752 419780420 /nfs/dbraw/zinc/78/04/20/419780420.db2.gz IXVOHLQHMYBKDM-CYBMUJFWSA-N 2 0 296.415 -0.120 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@H]([NH3+])CC(F)F)n1 ZINC000345819212 419782586 /nfs/dbraw/zinc/78/25/86/419782586.db2.gz SSKRVHDXZMROAI-MRVPVSSYSA-N 2 0 275.303 0.366 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662936732 419783976 /nfs/dbraw/zinc/78/39/76/419783976.db2.gz BLRUHLAWUMAZPN-RYUDHWBXSA-N 2 0 298.431 -0.019 20 0 CBADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000662777290 419718099 /nfs/dbraw/zinc/71/80/99/419718099.db2.gz AGBZEVIKKLIIEJ-STQMWFEESA-N 2 0 280.416 -0.119 20 0 CBADRP C[NH+](C)CCC[C@H]1CN(C(=O)[C@H]2CC[NH2+]2)CCO1 ZINC000662972795 419802042 /nfs/dbraw/zinc/80/20/42/419802042.db2.gz MGEMXBLUALHRME-NWDGAFQWSA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000649274450 419858328 /nfs/dbraw/zinc/85/83/28/419858328.db2.gz LUCWPRGHRVJWLB-JHJVBQTASA-N 2 0 268.405 -0.040 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@]2(C)CC[NH2+]C2)CC1=O ZINC000663010178 419810168 /nfs/dbraw/zinc/81/01/68/419810168.db2.gz IMAVVYVMNXYXPV-BXUZGUMPSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCN(CCO)[C@H](C)C2)CC[N@@H+]1C ZINC000648867570 419815450 /nfs/dbraw/zinc/81/54/50/419815450.db2.gz RYVAAWNACOBRJU-JHJVBQTASA-N 2 0 269.389 -0.148 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000516492703 544601438 /nfs/dbraw/zinc/60/14/38/544601438.db2.gz SGOCNASUDSQVLH-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP O=C([C@H]1C[C@@]12CCC[NH2+]C2)N1CCOC2(C[NH2+]C2)C1 ZINC000663217029 419828515 /nfs/dbraw/zinc/82/85/15/419828515.db2.gz AIRIAWHGARGPBB-DGCLKSJQSA-N 2 0 265.357 -0.423 20 0 CBADRP O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1CCOC2(C[NH2+]C2)C1 ZINC000663218053 419830517 /nfs/dbraw/zinc/83/05/17/419830517.db2.gz YBPWCNIEOZLNMH-VXGBXAGGSA-N 2 0 265.357 -0.282 20 0 CBADRP O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCOC2(C[NH2+]C2)C1 ZINC000663218051 419830598 /nfs/dbraw/zinc/83/05/98/419830598.db2.gz YBPWCNIEOZLNMH-NWDGAFQWSA-N 2 0 265.357 -0.282 20 0 CBADRP CC[NH+](CC)CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000649075547 419834336 /nfs/dbraw/zinc/83/43/36/419834336.db2.gz FYHJBFDCZKLAMX-GFCCVEGCSA-N 2 0 284.404 -0.093 20 0 CBADRP CC[NH+](CC)CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000649075548 419835228 /nfs/dbraw/zinc/83/52/28/419835228.db2.gz FYHJBFDCZKLAMX-LBPRGKRZSA-N 2 0 284.404 -0.093 20 0 CBADRP CC[C@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)[NH+](C)C ZINC000649074898 419836494 /nfs/dbraw/zinc/83/64/94/419836494.db2.gz ROBASQRIJACWGX-VXGBXAGGSA-N 2 0 284.404 -0.095 20 0 CBADRP [NH3+]CC1(C(=O)N2CCOC3(C[NH2+]C3)C2)CCCC1 ZINC000663492440 419843692 /nfs/dbraw/zinc/84/36/92/419843692.db2.gz UEWPUYUSHKDKQZ-UHFFFAOYSA-N 2 0 253.346 -0.294 20 0 CBADRP CC1CC[NH+](CC(=O)N2CCOC3(C[NH2+]C3)C2)CC1 ZINC000663491199 419843995 /nfs/dbraw/zinc/84/39/95/419843995.db2.gz LRNKWBFBYRIRTI-UHFFFAOYSA-N 2 0 267.373 -0.081 20 0 CBADRP CC[NH+](CC)CCNC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000649275117 419856757 /nfs/dbraw/zinc/85/67/57/419856757.db2.gz CPZAIHGTDLRNMX-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000649274628 419857105 /nfs/dbraw/zinc/85/71/05/419857105.db2.gz SGSYVVRVMKZRNV-KGLIPLIRSA-N 2 0 298.431 -0.411 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000662946728 419790359 /nfs/dbraw/zinc/79/03/59/419790359.db2.gz YMDVTWOICYDNPN-LBPRGKRZSA-N 2 0 284.404 -0.265 20 0 CBADRP CC(C)[C@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]cn2)CC[NH2+]1 ZINC000662957623 419792467 /nfs/dbraw/zinc/79/24/67/419792467.db2.gz YPUNUCQPLSXFPA-GFCCVEGCSA-N 2 0 293.371 -0.176 20 0 CBADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000346674722 419792517 /nfs/dbraw/zinc/79/25/17/419792517.db2.gz IYCIWHQPDNZGFQ-GFCCVEGCSA-N 2 0 282.388 -0.111 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]cn2)[C@@H](C)C[NH2+]1 ZINC000662954174 419793320 /nfs/dbraw/zinc/79/33/20/419793320.db2.gz MGYZZBWSJZOCRU-UWVGGRQHSA-N 2 0 279.344 -0.423 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)COCC[NH3+])CCO1 ZINC000662972787 419797174 /nfs/dbraw/zinc/79/71/74/419797174.db2.gz MDSXLGQKERUHSV-GFCCVEGCSA-N 2 0 273.377 -0.469 20 0 CBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)CCO1 ZINC000662971522 419797339 /nfs/dbraw/zinc/79/73/39/419797339.db2.gz BDVHWXPNVDUBJE-UONOGXRCSA-N 2 0 299.415 -0.066 20 0 CBADRP O=C(NCCCC[NH+]1CCOCC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649294811 419867010 /nfs/dbraw/zinc/86/70/10/419867010.db2.gz FFAZPSLNJXZCSK-UPJWGTAASA-N 2 0 267.373 -0.035 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649318858 419877422 /nfs/dbraw/zinc/87/74/22/419877422.db2.gz PTNWKAWZLLYFKZ-UHFFFAOYSA-N 2 0 299.415 -0.018 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649318861 419877832 /nfs/dbraw/zinc/87/78/32/419877832.db2.gz QHJXBQXMVOJEQB-LPWJVIDDSA-N 2 0 267.373 -0.036 20 0 CBADRP C[C@@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000649314754 419878247 /nfs/dbraw/zinc/87/82/47/419878247.db2.gz OFRDMLYWOPZRDF-YPMHNXCESA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CCNC(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+](C)C ZINC000664082227 419880156 /nfs/dbraw/zinc/88/01/56/419880156.db2.gz ACOLMKMNFUVCQO-CHWSQXEVSA-N 2 0 285.436 -0.128 20 0 CBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000649321263 419881499 /nfs/dbraw/zinc/88/14/99/419881499.db2.gz QQFUQRMQWSFNCT-ITGHMWBKSA-N 2 0 279.384 -0.491 20 0 CBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C3([NH3+])CC3)C2)CC1 ZINC000649334033 419890435 /nfs/dbraw/zinc/89/04/35/419890435.db2.gz CYNRKPWKWJINIM-LLVKDONJSA-N 2 0 266.389 -0.238 20 0 CBADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000649341631 419893884 /nfs/dbraw/zinc/89/38/84/419893884.db2.gz MIPGSTVYAWVDDH-SYQHCUMBSA-N 2 0 279.384 -0.083 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)COC2(C)C[NH2+]C2)C[C@H](C)O1 ZINC000649284652 419861677 /nfs/dbraw/zinc/86/16/77/419861677.db2.gz NSEOWNVUPPEPBL-BETUJISGSA-N 2 0 299.415 -0.020 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)NCC[NH+]2CCCC2)nn1 ZINC000649280716 419862628 /nfs/dbraw/zinc/86/26/28/419862628.db2.gz GWMJCNHWYQNVEF-UHFFFAOYSA-N 2 0 280.376 -0.157 20 0 CBADRP Cc1ncc(CN2CC[C@H](NS(C)(=O)=O)C2)n1C ZINC000667654789 544669101 /nfs/dbraw/zinc/66/91/01/544669101.db2.gz KQDIWLVPXCROMH-JTQLQIEISA-N 2 0 272.374 -0.148 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N1 ZINC000667811782 544674284 /nfs/dbraw/zinc/67/42/84/544674284.db2.gz WDVWJBIAPDZRIM-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[NH+](C)CC1 ZINC000649352168 419902790 /nfs/dbraw/zinc/90/27/90/419902790.db2.gz ZPECEFWZEKEBPR-LPWJVIDDSA-N 2 0 266.389 -0.511 20 0 CBADRP C[C@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+](C)CC1 ZINC000649351992 419902906 /nfs/dbraw/zinc/90/29/06/419902906.db2.gz CXAXWNUHYUFAGS-NDBYEHHHSA-N 2 0 266.389 -0.796 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649350686 419903080 /nfs/dbraw/zinc/90/30/80/419903080.db2.gz YSKOXBMUZIYNNG-MQYQWHSLSA-N 2 0 280.416 -0.406 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000649351268 419903570 /nfs/dbraw/zinc/90/35/70/419903570.db2.gz DSZYAFPGRJVQLO-SYQHCUMBSA-N 2 0 280.416 -0.264 20 0 CBADRP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000664384010 419904090 /nfs/dbraw/zinc/90/40/90/419904090.db2.gz AEQAPUBFFYPWHC-NDBYEHHHSA-N 2 0 284.404 -0.357 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000664407375 419904230 /nfs/dbraw/zinc/90/42/30/419904230.db2.gz WWWNXLMGHGDXQE-SAXRGWBVSA-N 2 0 296.415 -0.215 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000649363111 419904416 /nfs/dbraw/zinc/90/44/16/419904416.db2.gz VTBDZXSBMZJXMM-ZDUSSCGKSA-N 2 0 280.416 -0.118 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)COCC[NH3+])CC1 ZINC000649350611 419904753 /nfs/dbraw/zinc/90/47/53/419904753.db2.gz SHQLYZFUHUYFLI-GFCCVEGCSA-N 2 0 272.393 -0.896 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3)CC2)C1 ZINC000649352950 419905093 /nfs/dbraw/zinc/90/50/93/419905093.db2.gz WROHEQWDCHBRRL-HZSPNIEDSA-N 2 0 280.416 -0.038 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649351162 419905163 /nfs/dbraw/zinc/90/51/63/419905163.db2.gz WCFDDTLKBTUUCL-UHFFFAOYSA-N 2 0 298.431 -0.491 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000668362329 544696183 /nfs/dbraw/zinc/69/61/83/544696183.db2.gz WNWBMVHEBIWCCO-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NC2CC[NH+](C)CC2)C1 ZINC000358676990 419913171 /nfs/dbraw/zinc/91/31/71/419913171.db2.gz LXODZGLNHFBYJN-CYBMUJFWSA-N 2 0 270.377 -0.554 20 0 CBADRP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCOC2(C[NH2+]C2)C1 ZINC000664727750 419914087 /nfs/dbraw/zinc/91/40/87/419914087.db2.gz PQVLDORWCBLPKL-VIFPVBQESA-N 2 0 275.299 -0.568 20 0 CBADRP C[C@H](CNC(=O)C1([NH+](C)C)CC1)N1CC[NH+](C)CC1 ZINC000668694458 544716676 /nfs/dbraw/zinc/71/66/76/544716676.db2.gz AQENVZGVTYJOLY-GFCCVEGCSA-N 2 0 268.405 -0.167 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000669402972 544747692 /nfs/dbraw/zinc/74/76/92/544747692.db2.gz CIXINTDQOLKEJE-UONOGXRCSA-N 2 0 295.431 -0.230 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000669402976 544749330 /nfs/dbraw/zinc/74/93/30/544749330.db2.gz CNKDWAGIZNOXLQ-UONOGXRCSA-N 2 0 295.431 -0.230 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@H]2CCC[N@H+](C)C2)CCO1 ZINC000669403283 544749403 /nfs/dbraw/zinc/74/94/03/544749403.db2.gz RHVSDZIJFZFPIS-SDDRHHMPSA-N 2 0 270.377 -0.162 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCO1 ZINC000669491117 544750781 /nfs/dbraw/zinc/75/07/81/544750781.db2.gz MJBCDUVREGBCEK-OLZOCXBDSA-N 2 0 282.388 -0.160 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCC[N@H+](C)C2CC2)CCO1 ZINC000669477831 544751253 /nfs/dbraw/zinc/75/12/53/544751253.db2.gz JJUHUQNKOHUPSE-ZYHUDNBSSA-N 2 0 270.377 -0.162 20 0 CBADRP CC(C)[C@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000669514812 544752872 /nfs/dbraw/zinc/75/28/72/544752872.db2.gz LHWBKZYMQOJTLY-NWDGAFQWSA-N 2 0 282.388 -0.689 20 0 CBADRP CC[NH+](CC)CCOCCNC(=O)NC[C@@H](C)[NH3+] ZINC000669558409 544754670 /nfs/dbraw/zinc/75/46/70/544754670.db2.gz BBAQYPXFBWBDKH-LLVKDONJSA-N 2 0 260.382 -0.009 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C[C@@H](C)[NH+]1C ZINC000358713758 419917105 /nfs/dbraw/zinc/91/71/05/419917105.db2.gz SDAWPGJKSPKJEC-MGPQQGTHSA-N 2 0 280.416 -0.073 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000359225867 419952273 /nfs/dbraw/zinc/95/22/73/419952273.db2.gz UEQXFGXTAVUDLE-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH+](C)CCN1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000665528836 419956299 /nfs/dbraw/zinc/95/62/99/419956299.db2.gz NYYNRCQYYVCKIC-UHFFFAOYSA-N 2 0 268.405 -0.214 20 0 CBADRP CCO[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@H]1C[NH3+] ZINC000650714420 419967618 /nfs/dbraw/zinc/96/76/18/419967618.db2.gz BPTODCDPTNPOQA-BFHYXJOUSA-N 3 0 298.431 -0.521 20 0 CBADRP COC(=O)[C@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+]C2)CN1 ZINC000365776508 420067781 /nfs/dbraw/zinc/06/77/81/420067781.db2.gz AOEFGJBNFHZYHX-LPEHRKFASA-N 2 0 255.318 -0.994 20 0 CBADRP CC[NH+]1CCN(CC(=O)NCC[N@H+](C)CCOC)CC1 ZINC000360121718 420005303 /nfs/dbraw/zinc/00/53/03/420005303.db2.gz AWKATBGESGWIHV-UHFFFAOYSA-N 2 0 286.420 -0.682 20 0 CBADRP C[C@@H]1C[NH+](CC2(C[N@H+]3C[C@H](C)[C@H](O)C3)COC2)C[C@@H]1O ZINC000360210319 420009898 /nfs/dbraw/zinc/00/98/98/420009898.db2.gz WSHGYONKMBWIMO-LVEBTZEWSA-N 2 0 284.400 -0.372 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000364159302 420031376 /nfs/dbraw/zinc/03/13/76/420031376.db2.gz GMIOFHVSCQXDHR-NWDGAFQWSA-N 2 0 294.330 -0.846 20 0 CBADRP COCC[C@@]1(C(=O)N2CC[NH2+][C@@H](C)C2)CC[NH2+]C1 ZINC000364872022 420048025 /nfs/dbraw/zinc/04/80/25/420048025.db2.gz LMGLKBGULRZTBQ-AAEUAGOBSA-N 2 0 255.362 -0.177 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652150477 420049622 /nfs/dbraw/zinc/04/96/22/420049622.db2.gz XWYPECCZXBSZAY-GFCCVEGCSA-N 2 0 283.420 -0.340 20 0 CBADRP CCO[C@@H]1CN(C(=O)NCC[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000652204849 420051135 /nfs/dbraw/zinc/05/11/35/420051135.db2.gz FKJYBWRBUYKKOD-JHJVBQTASA-N 2 0 284.404 -0.009 20 0 CBADRP CCO[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CC2)C[C@H]1C[NH3+] ZINC000652207831 420051175 /nfs/dbraw/zinc/05/11/75/420051175.db2.gz UXBGEGKBDNKKBA-GRYCIOLGSA-N 2 0 270.377 -0.271 20 0 CBADRP [NH3+]CC1(CCNC(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000652224095 420053147 /nfs/dbraw/zinc/05/31/47/420053147.db2.gz TUQLWHGEOBXZQW-SNVBAGLBSA-N 2 0 256.350 -0.597 20 0 CBADRP [NH3+]CC1(CCNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000652231719 420054163 /nfs/dbraw/zinc/05/41/63/420054163.db2.gz DIHFPKNMYNDABL-CYBMUJFWSA-N 2 0 295.431 -0.196 20 0 CBADRP [NH3+]CC1(CCNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000652231720 420054369 /nfs/dbraw/zinc/05/43/69/420054369.db2.gz DIHFPKNMYNDABL-ZDUSSCGKSA-N 2 0 295.431 -0.196 20 0 CBADRP [NH3+]CC1(CCNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000652232296 420054776 /nfs/dbraw/zinc/05/47/76/420054776.db2.gz WIYSBAOFHBABSI-ZDUSSCGKSA-N 2 0 295.431 -0.196 20 0 CBADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000365320862 420059272 /nfs/dbraw/zinc/05/92/72/420059272.db2.gz OSAURQQLFGKNPN-RFQIPJPRSA-N 2 0 299.415 -0.285 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000367286384 420099763 /nfs/dbraw/zinc/09/97/63/420099763.db2.gz KGCQDNZBVKARPO-JSGCOSHPSA-N 2 0 267.373 -0.033 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000367286386 420100817 /nfs/dbraw/zinc/10/08/17/420100817.db2.gz KGCQDNZBVKARPO-TZMCWYRMSA-N 2 0 267.373 -0.033 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000367475753 420107077 /nfs/dbraw/zinc/10/70/77/420107077.db2.gz FHUWVULIKMRYOJ-GJZGRUSLSA-N 2 0 289.379 -0.315 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000367475513 420108170 /nfs/dbraw/zinc/10/81/70/420108170.db2.gz BYRUTEXROFJTMZ-IHRRRGAJSA-N 2 0 275.352 -0.603 20 0 CBADRP C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CCC[NH2+]C1 ZINC000653046762 420110578 /nfs/dbraw/zinc/11/05/78/420110578.db2.gz OFMCGVVPPRXSEP-NMKXLXIOSA-N 2 0 267.373 -0.273 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653045811 420110659 /nfs/dbraw/zinc/11/06/59/420110659.db2.gz NPXARZZTDULPBK-CHWSQXEVSA-N 2 0 294.399 -0.593 20 0 CBADRP CCCN(CC(=O)NC)C(=O)[C@H](N)CC[NH+](C)C ZINC000653075871 420112556 /nfs/dbraw/zinc/11/25/56/420112556.db2.gz APZLLPAKKKCNCJ-SNVBAGLBSA-N 2 0 258.366 -0.750 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000653065415 420112943 /nfs/dbraw/zinc/11/29/43/420112943.db2.gz CMLHDQXLYWGBDA-LBPRGKRZSA-N 2 0 298.431 -0.018 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NCC(=O)NC1CCCCC1 ZINC000653081710 420112953 /nfs/dbraw/zinc/11/29/53/420112953.db2.gz YGXDYFPDTAKSLZ-GFCCVEGCSA-N 2 0 284.404 -0.170 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000367652696 420112995 /nfs/dbraw/zinc/11/29/95/420112995.db2.gz GVUKBLXUSAWRBE-GFCCVEGCSA-N 2 0 273.377 -0.551 20 0 CBADRP C[C@H](NC(=O)[C@@H](N)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC000653078215 420113183 /nfs/dbraw/zinc/11/31/83/420113183.db2.gz ZOVGTQFAALBURX-UWVGGRQHSA-N 2 0 272.393 -0.315 20 0 CBADRP CCCCN(CC(N)=O)C(=O)[C@H](N)CC[NH+](C)C ZINC000653072703 420113421 /nfs/dbraw/zinc/11/34/21/420113421.db2.gz BVJWZZSXMDPHLK-SNVBAGLBSA-N 2 0 258.366 -0.621 20 0 CBADRP CCNC(=O)CN(CC)C(=O)[C@H](N)CC[NH+](C)C ZINC000653070616 420113645 /nfs/dbraw/zinc/11/36/45/420113645.db2.gz CLZWFFQOLHPVBC-SNVBAGLBSA-N 2 0 258.366 -0.750 20 0 CBADRP CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](N)CC[NH+](C)C ZINC000653080547 420113701 /nfs/dbraw/zinc/11/37/01/420113701.db2.gz KZHAKWQCRUPBAF-HBNTYKKESA-N 2 0 272.393 -0.315 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@H](O)COc1ccccc1 ZINC000653073238 420113901 /nfs/dbraw/zinc/11/39/01/420113901.db2.gz WPZDRBANZHOUHI-JSGCOSHPSA-N 2 0 295.383 -0.179 20 0 CBADRP O=C(NCCCC[NH+]1CCOCC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653110398 420115837 /nfs/dbraw/zinc/11/58/37/420115837.db2.gz HFOZGFCBRMNCCD-ZFWWWQNUSA-N 2 0 297.399 -0.549 20 0 CBADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653109659 420116174 /nfs/dbraw/zinc/11/61/74/420116174.db2.gz IVYWQYLMEIEZFZ-WFASDCNBSA-N 2 0 297.399 -0.815 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653111382 420116264 /nfs/dbraw/zinc/11/62/64/420116264.db2.gz NQSWFYUJVZRXGH-ABHRYQDASA-N 2 0 279.384 -0.035 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)C1CC1 ZINC000653112194 420117839 /nfs/dbraw/zinc/11/78/39/420117839.db2.gz PPESIBRSYKHGDJ-SCRDCRAPSA-N 2 0 267.373 -0.321 20 0 CBADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653117334 420119432 /nfs/dbraw/zinc/11/94/32/420119432.db2.gz IUYYYTWCIDDARZ-YDHLFZDLSA-N 2 0 279.384 -0.177 20 0 CBADRP CC[N@H+](CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2)C1CC1 ZINC000653115427 420119571 /nfs/dbraw/zinc/11/95/71/420119571.db2.gz OPDWKPWZFZCUTL-FZMZJTMJSA-N 2 0 267.373 -0.177 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653115552 420120159 /nfs/dbraw/zinc/12/01/59/420120159.db2.gz SNVZKNSCNKJFGO-OBJOEFQTSA-N 2 0 267.373 -0.225 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C[N@@H+]1C1CC1 ZINC000653123750 420120210 /nfs/dbraw/zinc/12/02/10/420120210.db2.gz GAVLWSYINNVWLP-YXMPFFBPSA-N 2 0 279.384 -0.036 20 0 CBADRP CC[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[C@@H]1[NH3+] ZINC000653134833 420121643 /nfs/dbraw/zinc/12/16/43/420121643.db2.gz KMIYZXWSZMZZDQ-MNXVOIDGSA-N 2 0 267.373 -0.192 20 0 CBADRP COC[C@]1(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCC[NH2+]1 ZINC000653139521 420121841 /nfs/dbraw/zinc/12/18/41/420121841.db2.gz JJJYNUMNWFWRHA-YUTCNCBUSA-N 2 0 283.372 -0.893 20 0 CBADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653137641 420122106 /nfs/dbraw/zinc/12/21/06/420122106.db2.gz KBIDSSKIASATNS-DRZSPHRISA-N 2 0 253.346 -0.580 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000653148752 420122635 /nfs/dbraw/zinc/12/26/35/420122635.db2.gz KCRMUSQGZAYHIP-RYUDHWBXSA-N 2 0 256.394 -0.182 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653147871 420123027 /nfs/dbraw/zinc/12/30/27/420123027.db2.gz DMWFHZIMPYELQQ-ZFWWWQNUSA-N 2 0 297.399 -0.597 20 0 CBADRP O=C(N1CC[NH+]2CCC1CC2)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653150699 420123278 /nfs/dbraw/zinc/12/32/78/420123278.db2.gz LWWLCSNOZZEUBU-FZMZJTMJSA-N 2 0 265.357 -0.471 20 0 CBADRP O=C(NC[C@H]1C[NH2+]C[C@@H]1O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368115613 420123668 /nfs/dbraw/zinc/12/36/68/420123668.db2.gz OSEHNZBFGASTRL-XQHKEYJVSA-N 2 0 267.373 -0.681 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653163229 420124567 /nfs/dbraw/zinc/12/45/67/420124567.db2.gz MUDRJLPTVMQGFJ-SRVKXCTJSA-N 2 0 253.346 -0.378 20 0 CBADRP [NH3+]Cc1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC000653166930 420125524 /nfs/dbraw/zinc/12/55/24/420125524.db2.gz ABSHWXIOZIVPDD-ZFWWWQNUSA-N 2 0 275.352 -0.003 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653180028 420126784 /nfs/dbraw/zinc/12/67/84/420126784.db2.gz FFFFMJUBPKCPAD-WFASDCNBSA-N 2 0 297.399 -0.551 20 0 CBADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1C[NH2+]CCO1)C2 ZINC000653197430 420127613 /nfs/dbraw/zinc/12/76/13/420127613.db2.gz FHDYMRQXSQGPRP-OBJOEFQTSA-N 2 0 267.373 -0.048 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NCCC2(C[NH3+])CC2)CC1=O ZINC000653221211 420128413 /nfs/dbraw/zinc/12/84/13/420128413.db2.gz NAEYIAHRWHWNQC-GFCCVEGCSA-N 2 0 296.415 -0.358 20 0 CBADRP CCO[C@@H]1CN(C(=O)CN2CC[NH+](CC)CC2)C[C@H]1C[NH3+] ZINC000653247093 420129985 /nfs/dbraw/zinc/12/99/85/420129985.db2.gz LQEVJOIVNLNNMI-ZIAGYGMSSA-N 2 0 298.431 -0.554 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(F)F)C[C@H]1C[NH3+] ZINC000653247695 420130223 /nfs/dbraw/zinc/13/02/23/420130223.db2.gz NNDATHXNBGXKBP-HRDYMLBCSA-N 2 0 265.304 -0.209 20 0 CBADRP CCO[C@@H]1CN(C(=O)C2(COC)CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000653247852 420130238 /nfs/dbraw/zinc/13/02/38/420130238.db2.gz VFCHBSXQSHWFSD-CHWSQXEVSA-N 2 0 299.415 -0.175 20 0 CBADRP CCO[C@@H]1CN(C(=O)C[NH2+]CCOC)C[C@H]1C[NH3+] ZINC000653243692 420130278 /nfs/dbraw/zinc/13/02/78/420130278.db2.gz KJZRVTFVYIBVBI-GHMZBOCLSA-N 2 0 259.350 -0.955 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C[C@H]1C[NH3+] ZINC000653248803 420132179 /nfs/dbraw/zinc/13/21/79/420132179.db2.gz FCHBJTBYMSWAPF-CZXHOFHRSA-N 2 0 283.372 -0.955 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCC1CC[NH2+]CC1 ZINC000653272726 420134653 /nfs/dbraw/zinc/13/46/53/420134653.db2.gz ZYNDOUGOUUZUJO-LBPRGKRZSA-N 2 0 282.388 -0.640 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@H](NC[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000653285117 420136888 /nfs/dbraw/zinc/13/68/88/420136888.db2.gz DFNKTIYDEQQAKA-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP CN1CCC[C@H]([NH2+][C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000653283970 420137308 /nfs/dbraw/zinc/13/73/08/420137308.db2.gz UTEUBTBAZRQVHT-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CCC[C@@H]2CO)C1=O ZINC000653285496 420137470 /nfs/dbraw/zinc/13/74/70/420137470.db2.gz QJEWGMUTPXYFGP-VXGBXAGGSA-N 2 0 283.372 -0.478 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)N[C@H]2CC[NH2+]C2)cn1 ZINC000652612036 420070862 /nfs/dbraw/zinc/07/08/62/420070862.db2.gz FSEHVYOVCPGODO-JTQLQIEISA-N 2 0 266.349 -0.072 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000652696559 420073270 /nfs/dbraw/zinc/07/32/70/420073270.db2.gz MUURCSQCACGKSB-LLVKDONJSA-N 2 0 272.393 -0.456 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000652700034 420074122 /nfs/dbraw/zinc/07/41/22/420074122.db2.gz JTLGVGXEJZUMRH-UHFFFAOYSA-N 2 0 286.420 -0.066 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCC1C[NH2+]C1 ZINC000652697880 420074231 /nfs/dbraw/zinc/07/42/31/420074231.db2.gz PWBYZYQZJJQRNB-UHFFFAOYSA-N 2 0 282.388 -0.734 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000652705101 420075972 /nfs/dbraw/zinc/07/59/72/420075972.db2.gz AAMHSNLQDCXYLU-UHFFFAOYSA-N 2 0 284.404 -0.488 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000652700490 420076069 /nfs/dbraw/zinc/07/60/69/420076069.db2.gz SLNDFXYXFYNMRW-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652713285 420077421 /nfs/dbraw/zinc/07/74/21/420077421.db2.gz LBMFMTUFWRDHGN-UHFFFAOYSA-N 2 0 270.377 -0.748 20 0 CBADRP C[C@@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000366345343 420083992 /nfs/dbraw/zinc/08/39/92/420083992.db2.gz IJZVMEYTEPJBSV-WCQYABFASA-N 2 0 272.368 -0.560 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000366558620 420089366 /nfs/dbraw/zinc/08/93/66/420089366.db2.gz WIGSKSKQKJITLE-GUBZILKMSA-N 2 0 261.366 -0.102 20 0 CBADRP O=C(NCCNc1cc[nH+]cc1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653346384 420141641 /nfs/dbraw/zinc/14/16/41/420141641.db2.gz SCPBTDWQOJDVGE-FZMZJTMJSA-N 2 0 276.340 -0.732 20 0 CBADRP [NH3+]C1(C(=O)NCCN2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000370593212 420183360 /nfs/dbraw/zinc/18/33/60/420183360.db2.gz LZRJIHHXQFWFDV-UHFFFAOYSA-N 2 0 288.395 -0.496 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654661256 420189589 /nfs/dbraw/zinc/18/95/89/420189589.db2.gz VNYXWAPKMQWVRK-SCRDCRAPSA-N 2 0 286.420 -0.062 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@]2(F)CC[NH2+]C2)n1 ZINC000372106347 420190416 /nfs/dbraw/zinc/19/04/16/420190416.db2.gz YSMZWPDZFDCJGO-GFCCVEGCSA-N 2 0 269.324 0.085 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372098246 420191823 /nfs/dbraw/zinc/19/18/23/420191823.db2.gz HZMPSBWPTFXAPW-SDDRHHMPSA-N 2 0 255.362 -0.219 20 0 CBADRP CC[N@H+](C)C[C@@H](O)Cn1cc(C[NH2+]C2CC2)nn1 ZINC000381034827 420198769 /nfs/dbraw/zinc/19/87/69/420198769.db2.gz UGNVGSQSQUNOSV-GFCCVEGCSA-N 2 0 253.350 -0.157 20 0 CBADRP Cc1nnsc1CNCC(=O)N1CCN(C)CC1 ZINC000384219736 420200683 /nfs/dbraw/zinc/20/06/83/420200683.db2.gz DVRAOMDRATXNMS-UHFFFAOYSA-N 2 0 269.374 -0.290 20 0 CBADRP CN(C(=O)[C@@H]1C[NH2+]CCO1)[C@@H]1C[NH+]2CCC1CC2 ZINC000386430833 420203185 /nfs/dbraw/zinc/20/31/85/420203185.db2.gz ANEHASLWTYAZDF-NEPJUHHUSA-N 2 0 253.346 -0.473 20 0 CBADRP CC[C@H]([NH3+])c1cn(C[C@@H](O)C[N@H+](C)CCOC)nn1 ZINC000388776469 420204252 /nfs/dbraw/zinc/20/42/52/420204252.db2.gz MPJAQGATCMHSNM-QWRGUYRKSA-N 2 0 271.365 -0.373 20 0 CBADRP C[NH+](C)[C@H]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000388502738 420205164 /nfs/dbraw/zinc/20/51/64/420205164.db2.gz HPACNBVQCDCKHO-NWDGAFQWSA-N 2 0 291.417 -0.669 20 0 CBADRP CN(C(=O)CN1CC[NH2+]CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000388927885 420205249 /nfs/dbraw/zinc/20/52/49/420205249.db2.gz XBDYAYDNNILXSV-CYBMUJFWSA-N 2 0 266.389 -0.556 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000388558255 420205866 /nfs/dbraw/zinc/20/58/66/420205866.db2.gz ZYKBYRIJHDLYAI-NEPJUHHUSA-N 2 0 293.433 -0.376 20 0 CBADRP CCC[C@H]([NH3+])c1cn(C[C@@H](O)CN2CCOCC2)nn1 ZINC000394264291 420211467 /nfs/dbraw/zinc/21/14/67/420211467.db2.gz OKUBRAZLUQKOFX-RYUDHWBXSA-N 2 0 283.376 -0.229 20 0 CBADRP O=C(NCCC[NH+]1CCCC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653478480 420144572 /nfs/dbraw/zinc/14/45/72/420144572.db2.gz FMYGZTXPPCQYNK-UONOGXRCSA-N 2 0 296.415 -0.067 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000653542040 420149488 /nfs/dbraw/zinc/14/94/88/420149488.db2.gz DKRNQNAYSUFCKG-SOUVJXGZSA-N 2 0 285.432 -0.170 20 0 CBADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CC(N)=O)C1 ZINC000653563596 420150357 /nfs/dbraw/zinc/15/03/57/420150357.db2.gz UQAZWESICTYGRR-VXGBXAGGSA-N 2 0 257.378 -0.114 20 0 CBADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000653663789 420154223 /nfs/dbraw/zinc/15/42/23/420154223.db2.gz KAMLTAXHXFWGKZ-GHMZBOCLSA-N 2 0 257.378 -0.054 20 0 CBADRP C[NH+](C)CC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369340704 420157106 /nfs/dbraw/zinc/15/71/06/420157106.db2.gz ADIAAIZMMRIOGM-CYBMUJFWSA-N 2 0 268.405 -0.214 20 0 CBADRP CCN1CCO[C@@H](C(=O)N(CCOC)CC[NH+](C)C)C1 ZINC000369679783 420163583 /nfs/dbraw/zinc/16/35/83/420163583.db2.gz XOGYLOIQZIWOSF-CYBMUJFWSA-N 2 0 287.404 -0.256 20 0 CBADRP CCN1CCO[C@H](C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000369680573 420163981 /nfs/dbraw/zinc/16/39/81/420163981.db2.gz UKJUGWHDRBAVCM-LBPRGKRZSA-N 2 0 295.387 0.104 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654408727 420178143 /nfs/dbraw/zinc/17/81/43/420178143.db2.gz GASJZPIMMAZDAJ-FRRDWIJNSA-N 2 0 284.404 -0.213 20 0 CBADRP COCCN(C)C[C@@H](O)C[NH+]1CCC(CO)(OC)CC1 ZINC000401779745 420222015 /nfs/dbraw/zinc/22/20/15/420222015.db2.gz VQNGVAXMDSONIA-CYBMUJFWSA-N 2 0 290.404 -0.601 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418568859 420241825 /nfs/dbraw/zinc/24/18/25/420241825.db2.gz BPCRKPRQINCVOS-NEPJUHHUSA-N 2 0 272.393 -0.130 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000418953564 420243096 /nfs/dbraw/zinc/24/30/96/420243096.db2.gz WRHLIKUYZPSNLY-VXGBXAGGSA-N 2 0 286.420 -0.053 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418949230 420243255 /nfs/dbraw/zinc/24/32/55/420243255.db2.gz ROWUJABJMVPAKE-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418800866 420244455 /nfs/dbraw/zinc/24/44/55/420244455.db2.gz CHGZDLUASRWYLS-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000418936797 420244473 /nfs/dbraw/zinc/24/44/73/420244473.db2.gz KIOWNAMJZNQWPL-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000419835539 420245060 /nfs/dbraw/zinc/24/50/60/420245060.db2.gz VESAFQSATNHGRR-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000419739842 420245577 /nfs/dbraw/zinc/24/55/77/420245577.db2.gz WSUULNJDVCALIC-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419341160 420245618 /nfs/dbraw/zinc/24/56/18/420245618.db2.gz YAJGTLHPRHORSR-ZYHUDNBSSA-N 2 0 294.399 -0.417 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419862996 420246352 /nfs/dbraw/zinc/24/63/52/420246352.db2.gz DKQFJGKVXBEIEF-FRRDWIJNSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000419431251 420246395 /nfs/dbraw/zinc/24/63/95/420246395.db2.gz WYMYWCAGPIMEGW-AVGNSLFASA-N 2 0 298.431 -0.066 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655414230 420246453 /nfs/dbraw/zinc/24/64/53/420246453.db2.gz HDYHMWAYNUQXEJ-ZFWWWQNUSA-N 2 0 280.416 -0.260 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@H](C[NH3+])C1 ZINC000655418511 420247475 /nfs/dbraw/zinc/24/74/75/420247475.db2.gz ACYKPRYTHYRHGW-DYEKYZERSA-N 2 0 266.389 -0.523 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419901829 420247682 /nfs/dbraw/zinc/24/76/82/420247682.db2.gz VDLDYYGRZRVBDT-NWDGAFQWSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CCO1 ZINC000655418675 420248198 /nfs/dbraw/zinc/24/81/98/420248198.db2.gz CMEIULVPBBQQQY-ZJQBRPOHSA-N 2 0 267.373 -0.049 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655464339 420253584 /nfs/dbraw/zinc/25/35/84/420253584.db2.gz FXSNUQDQQOTIRM-OBJOEFQTSA-N 2 0 267.373 -0.129 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423203892 420255976 /nfs/dbraw/zinc/25/59/76/420255976.db2.gz AKVQVHURVAESGM-ZDUSSCGKSA-N 2 0 296.415 -0.121 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000655488466 420256065 /nfs/dbraw/zinc/25/60/65/420256065.db2.gz APUCFBQFSJWGDY-TUAOUCFPSA-N 2 0 255.362 -0.179 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000655488465 420256157 /nfs/dbraw/zinc/25/61/57/420256157.db2.gz APUCFBQFSJWGDY-GRYCIOLGSA-N 2 0 255.362 -0.179 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000422972987 420256190 /nfs/dbraw/zinc/25/61/90/420256190.db2.gz NJSQPEVSPQMDLB-AGIUHOORSA-N 2 0 296.415 -0.075 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)CCCO1 ZINC000655479065 420256346 /nfs/dbraw/zinc/25/63/46/420256346.db2.gz IVJSMHOGLGNTBH-BZPMIXESSA-N 2 0 267.373 -0.048 20 0 CBADRP CCC(C)(C)[NH+]1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000655494308 420257514 /nfs/dbraw/zinc/25/75/14/420257514.db2.gz IBBGWNYUYAHLNE-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP [NH3+]C[C@@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)C(F)(F)F ZINC000655505285 420259193 /nfs/dbraw/zinc/25/91/93/420259193.db2.gz VHUXIRDZGMNBSD-JGVFFNPUSA-N 2 0 269.267 -0.239 20 0 CBADRP [NH3+]C[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)C(F)(F)F ZINC000655505301 420259973 /nfs/dbraw/zinc/25/99/73/420259973.db2.gz VUOWMTUTAAIHFI-RNFRBKRXSA-N 2 0 255.240 -0.629 20 0 CBADRP [NH3+]C[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)C(F)(F)F ZINC000655505300 420260027 /nfs/dbraw/zinc/26/00/27/420260027.db2.gz VUOWMTUTAAIHFI-NKWVEPMBSA-N 2 0 255.240 -0.629 20 0 CBADRP [NH3+]C[C@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000655514869 420261615 /nfs/dbraw/zinc/26/16/15/420261615.db2.gz FMIJKMNCFWNUQV-YUMQZZPRSA-N 2 0 296.293 -0.750 20 0 CBADRP [NH3+]C[C@H](NC(=O)[C@H]1C[C@]12CC[NH2+]C2)C(F)(F)F ZINC000655514842 420262283 /nfs/dbraw/zinc/26/22/83/420262283.db2.gz DMNCXBPNNQGQAL-FJXKBIBVSA-N 2 0 251.252 -0.008 20 0 CBADRP CC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000430886524 420272403 /nfs/dbraw/zinc/27/24/03/420272403.db2.gz AOTGVWZHVJYUJO-MNOVXSKESA-N 2 0 270.377 -0.573 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)C[C@H]2C[NH2+]CCO2)n1 ZINC000430871739 420273212 /nfs/dbraw/zinc/27/32/12/420273212.db2.gz FJONUFOULKVVES-NSHDSACASA-N 2 0 281.360 -0.238 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655924813 420277521 /nfs/dbraw/zinc/27/75/21/420277521.db2.gz QXAQSKOVPSKSAN-QMMMGPOBSA-N 2 0 286.298 -0.511 20 0 CBADRP Cn1cnnc1N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000655947297 420282062 /nfs/dbraw/zinc/28/20/62/420282062.db2.gz QRSDRXNYMDBAKG-LBPRGKRZSA-N 2 0 264.377 -0.063 20 0 CBADRP C[C@]1(CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCC[NH2+]C1 ZINC000655965447 420284140 /nfs/dbraw/zinc/28/41/40/420284140.db2.gz UQWRZYDITWVMOQ-GUTXKFCHSA-N 2 0 296.415 -0.164 20 0 CBADRP [NH3+]C1(CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCC1 ZINC000655965067 420284386 /nfs/dbraw/zinc/28/43/86/420284386.db2.gz MKXIYJIKEUKVNM-WDEREUQCSA-N 2 0 268.361 -0.672 20 0 CBADRP C[C@@H](CCCC[NH3+])NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655968002 420284438 /nfs/dbraw/zinc/28/44/38/420284438.db2.gz KNFOIKDRGBGMOS-RWMBFGLXSA-N 2 0 284.404 -0.036 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000655971075 420284832 /nfs/dbraw/zinc/28/48/32/420284832.db2.gz RJMJAPAEMLAJFP-TUAOUCFPSA-N 2 0 270.377 -0.304 20 0 CBADRP [NH3+]C[C@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1CCCC1 ZINC000655967641 420284958 /nfs/dbraw/zinc/28/49/58/420284958.db2.gz ZVQHZUAHZDZKMX-MJBXVCDLSA-N 2 0 296.415 -0.036 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655968909 420285733 /nfs/dbraw/zinc/28/57/33/420285733.db2.gz AWRCOBSCEDGSDN-FVCCEPFGSA-N 2 0 282.388 -0.426 20 0 CBADRP [NH3+]C[C@@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1CCCC1 ZINC000655967640 420285747 /nfs/dbraw/zinc/28/57/47/420285747.db2.gz ZVQHZUAHZDZKMX-BFHYXJOUSA-N 2 0 296.415 -0.036 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](Cn2cc([C@H]([NH3+])CO)nn2)C1 ZINC000656449050 420310079 /nfs/dbraw/zinc/31/00/79/420310079.db2.gz WWKUWSWTYPFVJB-NWDGAFQWSA-N 2 0 283.376 -0.373 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](Cn2cc(C[C@@H]([NH3+])CO)nn2)C1 ZINC000656448994 420310327 /nfs/dbraw/zinc/31/03/27/420310327.db2.gz TTWFBIOJIUWNQI-TZMCWYRMSA-N 2 0 297.403 -0.503 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000516768669 420362930 /nfs/dbraw/zinc/36/29/30/420362930.db2.gz PXFKBEBADHAMNM-QWRGUYRKSA-N 2 0 282.388 -0.641 20 0 CBADRP C[C@@H](Cn1cncn1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000657870295 420364560 /nfs/dbraw/zinc/36/45/60/420364560.db2.gz BYKGWLZCNNBBBH-STQMWFEESA-N 2 0 266.393 -0.108 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000673517873 544875352 /nfs/dbraw/zinc/87/53/52/544875352.db2.gz XVIHKRFPEGLKFV-QWHCGFSZSA-N 2 0 269.389 -0.006 20 0 CBADRP CCOC(=O)CCCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000516785207 420363606 /nfs/dbraw/zinc/36/36/06/420363606.db2.gz HDPWYAJKIJYPOU-VXGBXAGGSA-N 2 0 283.372 -0.036 20 0 CBADRP C[C@@H](Cn1cncn1)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000657873046 420363799 /nfs/dbraw/zinc/36/37/99/420363799.db2.gz QXLANAYGROFRPD-QWHCGFSZSA-N 2 0 294.403 -0.156 20 0 CBADRP CCOC(=O)N1CCN(C(=O)CNCC2([NH3+])CCC2)CC1 ZINC000497153866 420342116 /nfs/dbraw/zinc/34/21/16/420342116.db2.gz PBHCKBCXDSAJPQ-UHFFFAOYSA-N 2 0 298.387 -0.242 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000516567820 420360777 /nfs/dbraw/zinc/36/07/77/420360777.db2.gz FWQAPLSRJLGXJT-SDDRHHMPSA-N 2 0 253.346 -0.567 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000673531286 544878980 /nfs/dbraw/zinc/87/89/80/544878980.db2.gz LJNJZBDPOLEJLD-GFCCVEGCSA-N 2 0 257.378 -0.101 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000516567818 420361929 /nfs/dbraw/zinc/36/19/29/420361929.db2.gz FWQAPLSRJLGXJT-IJLUTSLNSA-N 2 0 253.346 -0.567 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656022120 420293195 /nfs/dbraw/zinc/29/31/95/420293195.db2.gz BYNNOMFIQOONJA-UPJWGTAASA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656025989 420294558 /nfs/dbraw/zinc/29/45/58/420294558.db2.gz YPNPVNYYIKODJD-RVMXOQNASA-N 2 0 296.415 -0.443 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000656043095 420295002 /nfs/dbraw/zinc/29/50/02/420295002.db2.gz ZHMRKDHORUGJSF-UTUOFQBUSA-N 2 0 282.388 -0.737 20 0 CBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000656102234 420297961 /nfs/dbraw/zinc/29/79/61/420297961.db2.gz GYOJMAXVZRMXSU-UHFFFAOYSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000517565207 420378269 /nfs/dbraw/zinc/37/82/69/420378269.db2.gz UPLCSHPEQHWUME-RYUDHWBXSA-N 2 0 284.404 -0.040 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000517570240 420378615 /nfs/dbraw/zinc/37/86/15/420378615.db2.gz VMDXBBXMSPFEOF-FOGDFJRCSA-N 2 0 270.377 -0.800 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000658465611 420379465 /nfs/dbraw/zinc/37/94/65/420379465.db2.gz TWLDRBWJDGAWOS-UHFFFAOYSA-N 2 0 296.415 -0.439 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCC[NH2+]CC1 ZINC000517720945 420380431 /nfs/dbraw/zinc/38/04/31/420380431.db2.gz VPKLAYSGBAOEKV-SECBINFHSA-N 2 0 262.304 -0.012 20 0 CBADRP COC[C@]1(CNC(=O)C[C@H]2COCC[NH2+]2)CCC[NH2+]1 ZINC000519385100 420381817 /nfs/dbraw/zinc/38/18/17/420381817.db2.gz PTTWHUOKIUEFFY-WCQYABFASA-N 2 0 271.361 -0.750 20 0 CBADRP COC[C@@]1(CNC(=O)C[C@H]2COCC[NH2+]2)CCC[NH2+]1 ZINC000519385098 420382150 /nfs/dbraw/zinc/38/21/50/420382150.db2.gz PTTWHUOKIUEFFY-AAEUAGOBSA-N 2 0 271.361 -0.750 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000518769232 420382285 /nfs/dbraw/zinc/38/22/85/420382285.db2.gz ICAKWXVZKFPZAK-SECBINFHSA-N 2 0 257.334 -0.523 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC[C@H]1CCC[NH2+]C1 ZINC000519641340 420383020 /nfs/dbraw/zinc/38/30/20/420383020.db2.gz GNTYWDRZBDHYFV-OLZOCXBDSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000519710951 420385938 /nfs/dbraw/zinc/38/59/38/420385938.db2.gz IEEVHIXPRMIWMQ-GXTWGEPZSA-N 2 0 266.389 -0.508 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000519714282 420387990 /nfs/dbraw/zinc/38/79/90/420387990.db2.gz OZEVSLBLXJJCPO-BBBLOLIVSA-N 2 0 257.334 -0.524 20 0 CBADRP CCN(C(=O)C(=O)N(C)CC[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000658808010 420388104 /nfs/dbraw/zinc/38/81/04/420388104.db2.gz SZXAGKSZHVKTJD-LBPRGKRZSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H](CC(N)=O)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000674047763 544896330 /nfs/dbraw/zinc/89/63/30/544896330.db2.gz VANGFLCAVUVERS-NSHDSACASA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@H](CNC(=O)[C@H](C)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000674246537 544899505 /nfs/dbraw/zinc/89/95/05/544899505.db2.gz NEFCNNSIAKCDQL-NEPJUHHUSA-N 2 0 256.394 -0.311 20 0 CBADRP C[C@@H](C(=O)N1CCCN(C(=O)[C@H](C)[NH+](C)C)CC1)[NH+](C)C ZINC000674288700 544902952 /nfs/dbraw/zinc/90/29/52/544902952.db2.gz KDVWWJYTRAEDAQ-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP Cn1[nH]c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc1=O ZINC000516971244 420367782 /nfs/dbraw/zinc/36/77/82/420367782.db2.gz PKKKVAZOLQTYMC-MNOVXSKESA-N 2 0 265.361 -0.070 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000676348051 544948694 /nfs/dbraw/zinc/94/86/94/544948694.db2.gz NTASWKLVUWYSGJ-KGLIPLIRSA-N 2 0 298.431 -0.541 20 0 CBADRP C[C@H](NC(=O)CN1CCN(C)CC1)[C@H]1CN(C)CCO1 ZINC000676346634 544949013 /nfs/dbraw/zinc/94/90/13/544949013.db2.gz COTQICNFRDWATR-QWHCGFSZSA-N 2 0 284.404 -0.931 20 0 CBADRP CN1CCO[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000676345023 544949062 /nfs/dbraw/zinc/94/90/62/544949062.db2.gz UUCUTBWJPXTIRY-ZIAGYGMSSA-N 2 0 297.399 -0.314 20 0 CBADRP C[C@@H]1CCCN(C(=O)c2cn(CC[NH3+])nn2)[C@@H]1C[NH3+] ZINC000659291185 420406057 /nfs/dbraw/zinc/40/60/57/420406057.db2.gz OUWXVTIAQSWWSK-MWLCHTKSSA-N 2 0 266.349 -0.564 20 0 CBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000659456969 420420492 /nfs/dbraw/zinc/42/04/92/420420492.db2.gz VBJVUWPNXDXZGK-QWHCGFSZSA-N 2 0 295.431 -0.184 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659440756 420420831 /nfs/dbraw/zinc/42/08/31/420420831.db2.gz KWGCRHVKLFJGQQ-VIFPVBQESA-N 2 0 294.359 -0.466 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000659458816 420422212 /nfs/dbraw/zinc/42/22/12/420422212.db2.gz UKDKQTPXHQDNEL-GHMZBOCLSA-N 2 0 258.366 -0.386 20 0 CBADRP C[NH+](C)CCOCCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659484265 420422610 /nfs/dbraw/zinc/42/26/10/420422610.db2.gz HVYVTAPUMVLGTP-UHFFFAOYSA-N 2 0 270.377 -0.384 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659492746 420423337 /nfs/dbraw/zinc/42/33/37/420423337.db2.gz JEHALGVZZWWRQX-QMMMGPOBSA-N 2 0 282.348 -0.610 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)NCC[N@@H+]1CCCOCC1 ZINC000659496789 420423783 /nfs/dbraw/zinc/42/37/83/420423783.db2.gz ZCALELDXVHICEX-UHFFFAOYSA-N 2 0 282.388 -0.159 20 0 CBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659356932 420413823 /nfs/dbraw/zinc/41/38/23/420413823.db2.gz AKYUHBWRUOQOCI-NEPJUHHUSA-N 2 0 284.404 -0.537 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659357990 420414967 /nfs/dbraw/zinc/41/49/67/420414967.db2.gz FFAMLGJXJRKQLQ-QWRGUYRKSA-N 2 0 272.393 -0.552 20 0 CBADRP C[C@@H]1CCN(C(=O)c2cn(CCC[NH3+])nn2)[C@H](C[NH3+])C1 ZINC000659378635 420416895 /nfs/dbraw/zinc/41/68/95/420416895.db2.gz NHSKZVGGCGRUHF-MNOVXSKESA-N 2 0 280.376 -0.174 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC[C@H]1F ZINC000659388314 420417902 /nfs/dbraw/zinc/41/79/02/420417902.db2.gz BIPHLPOTERBZOL-GMTAPVOTSA-N 2 0 296.350 -0.459 20 0 CBADRP COC1CC[NH+](CCNC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000659567977 420434703 /nfs/dbraw/zinc/43/47/03/420434703.db2.gz WAKXKZGVKBCWSJ-NSHDSACASA-N 2 0 270.377 -0.242 20 0 CBADRP [NH3+]C1(CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCCC1 ZINC000659575261 420434966 /nfs/dbraw/zinc/43/49/66/420434966.db2.gz KWJHMEMJSHBUNR-CYBMUJFWSA-N 2 0 295.431 -0.053 20 0 CBADRP CN1CCN(C(=O)NCC2([NH3+])CCCC2)[C@@H](C[NH3+])C1 ZINC000659575545 420434971 /nfs/dbraw/zinc/43/49/71/420434971.db2.gz PLQIOLYLFLTCKS-NSHDSACASA-N 3 0 269.393 -0.458 20 0 CBADRP Cc1cncc(CCNC(=O)N2CCN(C)C[C@H]2C[NH3+])n1 ZINC000659605269 420436166 /nfs/dbraw/zinc/43/61/66/420436166.db2.gz BWIROMWFZIKZCH-CYBMUJFWSA-N 2 0 292.387 -0.388 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000659610167 420436835 /nfs/dbraw/zinc/43/68/35/420436835.db2.gz LZWXNKUVNNYIFK-QWHCGFSZSA-N 2 0 283.420 -0.245 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000659612932 420437035 /nfs/dbraw/zinc/43/70/35/420437035.db2.gz YHYWXRVVESTQQE-GFCCVEGCSA-N 2 0 282.388 -0.146 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000659506990 420425426 /nfs/dbraw/zinc/42/54/26/420425426.db2.gz ZUSGNJNQTMXBOM-UHFFFAOYSA-N 2 0 271.409 -0.340 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CCc2nnnn2C)CN1C1CC1 ZINC000678498349 545017589 /nfs/dbraw/zinc/01/75/89/545017589.db2.gz ICHCQDQOXMLACS-NXEZZACHSA-N 2 0 250.350 -0.033 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000659519530 420426768 /nfs/dbraw/zinc/42/67/68/420426768.db2.gz RPTYBYCVFKOYCZ-GFCCVEGCSA-N 2 0 299.419 -0.615 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000659527258 420428084 /nfs/dbraw/zinc/42/80/84/420428084.db2.gz KIJWQCNLPWYJFG-GFCCVEGCSA-N 2 0 299.419 -0.615 20 0 CBADRP COCC[NH2+]CCNC(=O)NCC1([NH3+])CCCC1 ZINC000659527518 420428742 /nfs/dbraw/zinc/42/87/42/420428742.db2.gz NKTRDDSIGSDDRX-UHFFFAOYSA-N 2 0 258.366 -0.207 20 0 CBADRP C[C@@H](C(=O)N1CC[C@H](OCCN2CCOCC2)C1)[NH+](C)C ZINC000679237603 545024707 /nfs/dbraw/zinc/02/47/07/545024707.db2.gz RLPHDSKVTXGSKS-KBPBESRZSA-N 2 0 299.415 -0.114 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000659537962 420431598 /nfs/dbraw/zinc/43/15/98/420431598.db2.gz MYVKVUTYBFEQGQ-IUCAKERBSA-N 2 0 294.359 -0.290 20 0 CBADRP CO[C@@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000659564029 420433185 /nfs/dbraw/zinc/43/31/85/420433185.db2.gz BNQZJIMRZYJKMW-HBNTYKKESA-N 2 0 256.350 -0.504 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377562203 230294346 /nfs/dbraw/zinc/29/43/46/230294346.db2.gz JSAJXCMWNOKXLE-OLZOCXBDSA-N 2 0 298.456 -0.412 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000680833514 545041203 /nfs/dbraw/zinc/04/12/03/545041203.db2.gz ZMTHAZRLPVZEIB-DGCLKSJQSA-N 2 0 270.377 -0.554 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659751049 420467633 /nfs/dbraw/zinc/46/76/33/420467633.db2.gz JHKCSVBYAKHXEZ-LBPRGKRZSA-N 2 0 286.420 -0.099 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000659750505 420467712 /nfs/dbraw/zinc/46/77/12/420467712.db2.gz OOCZEVOVWYBDBJ-CHWSQXEVSA-N 2 0 298.431 -0.195 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000659752008 420468166 /nfs/dbraw/zinc/46/81/66/420468166.db2.gz KIJLWELDSRHSIT-NWDGAFQWSA-N 2 0 284.404 -0.301 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000659754320 420468330 /nfs/dbraw/zinc/46/83/30/420468330.db2.gz DUYKXEORLKTDNG-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000659753651 420468389 /nfs/dbraw/zinc/46/83/89/420468389.db2.gz QZWVHYBDHVLOSO-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000659752706 420468618 /nfs/dbraw/zinc/46/86/18/420468618.db2.gz MWZIEGUPFPSLCK-JTQLQIEISA-N 2 0 258.366 -0.879 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000659756712 420469415 /nfs/dbraw/zinc/46/94/15/420469415.db2.gz SHMYEPZSWVVAOO-RWMBFGLXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000659758030 420469421 /nfs/dbraw/zinc/46/94/21/420469421.db2.gz XFVPZUROGADKLP-LBPRGKRZSA-N 2 0 286.420 -0.243 20 0 CBADRP C[C@@H](CNC(=O)/C=C\C[NH+](C)C)N1CC[NH+](C)CC1 ZINC000491861374 230331285 /nfs/dbraw/zinc/33/12/85/230331285.db2.gz AKOPEUXJPNPUKW-SZZPACECSA-N 2 0 268.405 -0.144 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000659639254 420441451 /nfs/dbraw/zinc/44/14/51/420441451.db2.gz YHMYFOUHTLNJPY-LLVKDONJSA-N 2 0 272.393 -0.308 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000659636635 420442094 /nfs/dbraw/zinc/44/20/94/420442094.db2.gz XSZOSVVZDIRMHB-SRVKXCTJSA-N 2 0 272.393 -0.309 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000659641845 420442664 /nfs/dbraw/zinc/44/26/64/420442664.db2.gz ISGLXTULKMZKAT-NWDGAFQWSA-N 2 0 272.393 -0.260 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000659647207 420443764 /nfs/dbraw/zinc/44/37/64/420443764.db2.gz LXHSRYMCTNLIMQ-STQMWFEESA-N 2 0 284.404 -0.042 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCCn1ccnc1 ZINC000659673386 420446695 /nfs/dbraw/zinc/44/66/95/420446695.db2.gz CHONDERBEBMPQQ-NSHDSACASA-N 2 0 281.360 -0.496 20 0 CBADRP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659679808 420447237 /nfs/dbraw/zinc/44/72/37/420447237.db2.gz FBMPPTDCZCOVBX-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000659681581 420447753 /nfs/dbraw/zinc/44/77/53/420447753.db2.gz KJWGOVCQJKGASJ-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH+]1CCC(CNC(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659679875 420447757 /nfs/dbraw/zinc/44/77/57/420447757.db2.gz GLXQFGVSJORDDK-LLVKDONJSA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000659681582 420447834 /nfs/dbraw/zinc/44/78/34/420447834.db2.gz KJWGOVCQJKGASJ-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@@H+]1C ZINC000659679563 420447901 /nfs/dbraw/zinc/44/79/01/420447901.db2.gz ZLLLFECZEJJACO-DILZAHMFSA-N 2 0 294.399 -0.547 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000659684694 420448413 /nfs/dbraw/zinc/44/84/13/420448413.db2.gz JDRFJSZQRHOHRV-SNVBAGLBSA-N 2 0 282.388 -0.547 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000659687063 420448421 /nfs/dbraw/zinc/44/84/21/420448421.db2.gz PSDHUXUJRVHZBB-ZJUUUORDSA-N 2 0 258.366 -0.833 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)C1CC1 ZINC000659685778 420448575 /nfs/dbraw/zinc/44/85/75/420448575.db2.gz VASPLAGCBGKJQM-UHFFFAOYSA-N 2 0 280.372 -0.935 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NCC1([NH3+])CCCC1)C1CC1 ZINC000659685219 420448812 /nfs/dbraw/zinc/44/88/12/420448812.db2.gz PFBQWOSTAYFSOD-UHFFFAOYSA-N 2 0 282.388 -0.416 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659686541 420449113 /nfs/dbraw/zinc/44/91/13/420449113.db2.gz FYJAOVBWUNBJEK-VTWZXRTESA-N 2 0 292.383 -0.711 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000659688631 420450019 /nfs/dbraw/zinc/45/00/19/420450019.db2.gz DGEOFQLZJBFXAW-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000659697577 420450529 /nfs/dbraw/zinc/45/05/29/420450529.db2.gz YPNJFCBVHGCHPZ-PWSUYJOCSA-N 2 0 282.388 -0.689 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000659694936 420451074 /nfs/dbraw/zinc/45/10/74/420451074.db2.gz TWEWOBLPYWGKFX-JTQLQIEISA-N 2 0 270.377 -0.689 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000659699881 420451519 /nfs/dbraw/zinc/45/15/19/420451519.db2.gz XDUBLTCLAQFYHK-PNESKVBLSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[N@H+](C)C1CC1 ZINC000659702888 420452596 /nfs/dbraw/zinc/45/25/96/420452596.db2.gz SJCJIFGXHTZGHO-NLTNOIMHSA-N 2 0 294.399 -0.465 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659705077 420452817 /nfs/dbraw/zinc/45/28/17/420452817.db2.gz SUHSGXZSKIQSDC-LLVKDONJSA-N 2 0 296.415 -0.217 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000659704422 420453216 /nfs/dbraw/zinc/45/32/16/420453216.db2.gz PBYYXJWWQOLTOU-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000659706296 420453236 /nfs/dbraw/zinc/45/32/36/420453236.db2.gz KRSCXAWXWYLFDL-WCQYABFASA-N 2 0 296.415 -0.156 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000659702011 420453387 /nfs/dbraw/zinc/45/33/87/420453387.db2.gz KVNHUGUWGXTXTJ-NEPJUHHUSA-N 2 0 296.415 -0.075 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000659704606 420453477 /nfs/dbraw/zinc/45/34/77/420453477.db2.gz MKDGBNHDCLWVHQ-RYUDHWBXSA-N 2 0 280.372 -0.935 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@H]([NH3+])C2CCC2)n1 ZINC000570573583 420453605 /nfs/dbraw/zinc/45/36/05/420453605.db2.gz UWAZITPPURUIKS-GFCCVEGCSA-N 2 0 265.361 0.511 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000659708822 420453714 /nfs/dbraw/zinc/45/37/14/420453714.db2.gz ABZBRKPVICSRRI-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH2+]CC)C1 ZINC000659709213 420454342 /nfs/dbraw/zinc/45/43/42/420454342.db2.gz ADQNIZDHSHWEOO-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659707321 420454403 /nfs/dbraw/zinc/45/44/03/420454403.db2.gz DIXFOLLYFZRTRJ-XIKARTHZSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000659714645 420456902 /nfs/dbraw/zinc/45/69/02/420456902.db2.gz OBAZNDHXCQZOCA-SECBINFHSA-N 2 0 268.361 -0.937 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC1C[NH2+]C1 ZINC000659714613 420457004 /nfs/dbraw/zinc/45/70/04/420457004.db2.gz NQBDCNHKJZWVQC-GFCCVEGCSA-N 2 0 296.415 -0.441 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000659715955 420457231 /nfs/dbraw/zinc/45/72/31/420457231.db2.gz UBDGNDAYGWXTJD-NEPJUHHUSA-N 2 0 282.388 -0.560 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2C[NH2+]C2)C1 ZINC000659715469 420457276 /nfs/dbraw/zinc/45/72/76/420457276.db2.gz VHVUFHLXSZZKDI-NSHDSACASA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659718117 420457708 /nfs/dbraw/zinc/45/77/08/420457708.db2.gz NIBSQHOXFGEGMN-LLVKDONJSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000659718399 420457879 /nfs/dbraw/zinc/45/78/79/420457879.db2.gz NXOQNEYGCGUHGT-STQMWFEESA-N 2 0 298.431 -0.066 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000659718358 420458262 /nfs/dbraw/zinc/45/82/62/420458262.db2.gz PRVREBXYMASPTD-NWDGAFQWSA-N 2 0 282.388 -0.560 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CCC([NH3+])CC2)C1 ZINC000659716609 420458469 /nfs/dbraw/zinc/45/84/69/420458469.db2.gz XNFUBTWCOLZUFH-BPCQOVAHSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659719469 420458699 /nfs/dbraw/zinc/45/86/99/420458699.db2.gz YMOCJJIVWCTECW-GHMZBOCLSA-N 2 0 284.404 -0.171 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000659720863 420459260 /nfs/dbraw/zinc/45/92/60/420459260.db2.gz FXLNHBOFOKGJOB-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659719471 420459397 /nfs/dbraw/zinc/45/93/97/420459397.db2.gz YMOCJJIVWCTECW-QWRGUYRKSA-N 2 0 284.404 -0.171 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000659725712 420459915 /nfs/dbraw/zinc/45/99/15/420459915.db2.gz YKQJDPLLSKEZBD-NSHDSACASA-N 2 0 282.388 -0.416 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000659725987 420460169 /nfs/dbraw/zinc/46/01/69/420460169.db2.gz GJCXNSSNYOHXFQ-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000659729692 420461195 /nfs/dbraw/zinc/46/11/95/420461195.db2.gz TUMCILMMKIHNCS-UTUOFQBUSA-N 2 0 284.404 -0.171 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH2+]C)C2)C1 ZINC000659738306 420463045 /nfs/dbraw/zinc/46/30/45/420463045.db2.gz DMMIOZPRDLNDDE-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659738482 420463652 /nfs/dbraw/zinc/46/36/52/420463652.db2.gz FDIRRPZRYOLOOH-AVERBVTBSA-N 2 0 294.399 -0.463 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000659738279 420463760 /nfs/dbraw/zinc/46/37/60/420463760.db2.gz DGKIDVFMPMNNHF-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)C1 ZINC000659738282 420463933 /nfs/dbraw/zinc/46/39/33/420463933.db2.gz DGZVYXTZNWPHJU-FRRDWIJNSA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000659739237 420464198 /nfs/dbraw/zinc/46/41/98/420464198.db2.gz OKRJTRNHIMGKDB-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000659741000 420464915 /nfs/dbraw/zinc/46/49/15/420464915.db2.gz IOAMJTXUNYNRSD-VXGBXAGGSA-N 2 0 284.404 -0.314 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000659739380 420465020 /nfs/dbraw/zinc/46/50/20/420465020.db2.gz SGCJDVWXSQFTCS-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000659739383 420465263 /nfs/dbraw/zinc/46/52/63/420465263.db2.gz SGCJDVWXSQFTCS-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659744419 420466126 /nfs/dbraw/zinc/46/61/26/420466126.db2.gz VNXCIXSMYJZDPQ-MQYJIDSJSA-N 2 0 294.399 -0.545 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659749384 420466508 /nfs/dbraw/zinc/46/65/08/420466508.db2.gz HCEJGDNZLJTHHD-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659751334 420466989 /nfs/dbraw/zinc/46/69/89/420466989.db2.gz TWFRZWQIYSUQML-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[N@H+](CC[C@@H]3CCOC3)CCN2C1=O ZINC000521646509 260198634 /nfs/dbraw/zinc/19/86/34/260198634.db2.gz VYAKQBQTBKGTLG-GRYCIOLGSA-N 2 0 253.346 -0.343 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC[C@H]3CCOC3)CCN2C1=O ZINC000521646511 260198715 /nfs/dbraw/zinc/19/87/15/260198715.db2.gz VYAKQBQTBKGTLG-QJPTWQEYSA-N 2 0 253.346 -0.343 20 0 CBADRP C[NH2+]CCC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000517932116 260319962 /nfs/dbraw/zinc/31/99/62/260319962.db2.gz CCLKRCRZORROLI-UHFFFAOYSA-N 2 0 256.394 -0.308 20 0 CBADRP CC[C@](C)(C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)OC ZINC000521031013 262199426 /nfs/dbraw/zinc/19/94/26/262199426.db2.gz MKWDYOREARSURX-UONOGXRCSA-N 2 0 273.421 -0.001 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000521434313 262336514 /nfs/dbraw/zinc/33/65/14/262336514.db2.gz OIOSPGFBKSYDGP-RYUDHWBXSA-N 2 0 254.378 -0.604 20 0 CBADRP [NH3+]C[C@H]1CCCCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000519152374 265339432 /nfs/dbraw/zinc/33/94/32/265339432.db2.gz RRUCTLUQWRWWOD-VXGBXAGGSA-N 2 0 282.388 -0.416 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000519710975 265562836 /nfs/dbraw/zinc/56/28/36/265562836.db2.gz IEEVHIXPRMIWMQ-TZMCWYRMSA-N 2 0 266.389 -0.508 20 0 CBADRP C[C@H](O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000192753971 269572704 /nfs/dbraw/zinc/57/27/04/269572704.db2.gz ZMFODVCWQZQGCW-NSHDSACASA-N 2 0 257.378 -0.243 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NCC[NH+](C)C)CC1 ZINC000240798448 269582485 /nfs/dbraw/zinc/58/24/85/269582485.db2.gz AZYROPHUJJLIDO-UHFFFAOYSA-N 2 0 256.394 -0.308 20 0 CBADRP CC[NH+]1CCN(CC(=O)NCCC[NH2+]C2CC2)CC1 ZINC000516774353 269592042 /nfs/dbraw/zinc/59/20/42/269592042.db2.gz NRXWYHHEUSTANF-UHFFFAOYSA-N 2 0 268.405 -0.118 20 0 CBADRP C[C@H](CNC(=O)N(C)CCC[NH3+])C[NH+]1CCN(C)CC1 ZINC000517042296 269595395 /nfs/dbraw/zinc/59/53/95/269595395.db2.gz QINVJWAHDVPWJM-CYBMUJFWSA-N 2 0 285.436 -0.140 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000517375490 269597861 /nfs/dbraw/zinc/59/78/61/269597861.db2.gz QTLQSLNBRZOGPO-OLZOCXBDSA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@]1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCC[NH2+]C1 ZINC000517569774 269598591 /nfs/dbraw/zinc/59/85/91/269598591.db2.gz NVZJKLQKKDUUAI-ZFWWWQNUSA-N 2 0 280.416 -0.118 20 0 CBADRP [NH3+]C[C@H](C(=O)NC[C@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC000522000168 269605334 /nfs/dbraw/zinc/60/53/34/269605334.db2.gz KORRPINCVVFNMW-OLZOCXBDSA-N 2 0 281.331 -0.027 20 0 CBADRP COCC1(C(=O)NCCCN2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000521998672 269605566 /nfs/dbraw/zinc/60/55/66/269605566.db2.gz ATUVMEPYDOPIFA-UHFFFAOYSA-N 2 0 298.431 -0.586 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000575236431 335086896 /nfs/dbraw/zinc/08/68/96/335086896.db2.gz RBIOCPHDQKBLBE-OLZOCXBDSA-N 2 0 283.420 -0.374 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000419773461 276115769 /nfs/dbraw/zinc/11/57/69/276115769.db2.gz GZBVOSRYKXQFFG-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420088878 276378409 /nfs/dbraw/zinc/37/84/09/276378409.db2.gz ISRVSXMEKVDAJU-NSHDSACASA-N 2 0 282.388 -0.416 20 0 CBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000353590646 276386388 /nfs/dbraw/zinc/38/63/88/276386388.db2.gz ANZLTZRHPMUBCR-ZIAGYGMSSA-N 2 0 280.416 -0.023 20 0 CBADRP C[NH+](C)C1CN(c2cc(N3CC([NH+](C)C)C3)ncn2)C1 ZINC000128641301 276755564 /nfs/dbraw/zinc/75/55/64/276755564.db2.gz INGGEWUNVWECBJ-UHFFFAOYSA-N 2 0 276.388 -0.023 20 0 CBADRP C[N@H+](C[C@H](O)CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000685562521 545081875 /nfs/dbraw/zinc/08/18/75/545081875.db2.gz RBBROGDYIKBNLC-ARFHVFGLSA-N 2 0 297.443 -0.028 20 0 CBADRP C[N@H+](C[C@H](O)CN1CC[NH+](C(C)(C)CO)CC1)C1CC1 ZINC000685568226 545081942 /nfs/dbraw/zinc/08/19/42/545081942.db2.gz HGTBIIHHFDNROV-AWEZNQCLSA-N 2 0 285.432 -0.170 20 0 CBADRP CNC(=O)C[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000361175625 277001123 /nfs/dbraw/zinc/00/11/23/277001123.db2.gz QLBJJBCQLPLBCO-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000419033212 277024146 /nfs/dbraw/zinc/02/41/46/277024146.db2.gz YFEPTQHKKQZHIT-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP CNC(=O)C[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000361175637 277232617 /nfs/dbraw/zinc/23/26/17/277232617.db2.gz QLBJJBCQLPLBCO-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP CC(C)([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000430890894 277305895 /nfs/dbraw/zinc/30/58/95/277305895.db2.gz SYEUAAITJONGDR-SECBINFHSA-N 2 0 256.350 -0.820 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])C1 ZINC000419150216 277390224 /nfs/dbraw/zinc/39/02/24/277390224.db2.gz KYBUXMJTZXKWKP-OLZOCXBDSA-N 2 0 298.431 -0.066 20 0 CBADRP CC(C)C[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000043799119 277403188 /nfs/dbraw/zinc/40/31/88/277403188.db2.gz RXDOZRRVWMTVGH-GFCCVEGCSA-N 2 0 255.362 -0.225 20 0 CBADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351516669 277477739 /nfs/dbraw/zinc/47/77/39/277477739.db2.gz HEECTOOWBOEZDJ-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@@H]1[NH3+] ZINC000331515459 277816102 /nfs/dbraw/zinc/81/61/02/277816102.db2.gz BYBNPHBTVUOGFS-MNOVXSKESA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H](CC(N)=O)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000346061044 278224208 /nfs/dbraw/zinc/22/42/08/278224208.db2.gz FHVFQVZAONJTNA-WDEREUQCSA-N 2 0 270.377 -0.573 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)[N@H+](C)C1CC1 ZINC000419582643 278268463 /nfs/dbraw/zinc/26/84/63/278268463.db2.gz JJJFJDLBASNGIL-NSHDSACASA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000419576806 278268670 /nfs/dbraw/zinc/26/86/70/278268670.db2.gz CKGGVORZRTZWKX-JFGNBEQYSA-N 2 0 282.388 -0.609 20 0 CBADRP C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000347242415 278289502 /nfs/dbraw/zinc/28/95/02/278289502.db2.gz UHEBZEZFTMSQRB-STQMWFEESA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419959313 278365280 /nfs/dbraw/zinc/36/52/80/278365280.db2.gz XDTMDKWZAITTAA-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000514670825 278545855 /nfs/dbraw/zinc/54/58/55/278545855.db2.gz KTQKSHHUOJARLJ-STQMWFEESA-N 2 0 269.389 -0.053 20 0 CBADRP CC1CC[NH+](C[C@H](O)CNC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000418389545 278547279 /nfs/dbraw/zinc/54/72/79/278547279.db2.gz UAONRLSJQSDPOL-QWHCGFSZSA-N 2 0 284.404 -0.260 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)[C@H](C)C[NH2+]1 ZINC000331881339 278633276 /nfs/dbraw/zinc/63/32/76/278633276.db2.gz NTPYVYZBWLYBFM-VXGBXAGGSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCNS(C)(=O)=O ZINC000121201333 288076660 /nfs/dbraw/zinc/07/66/60/288076660.db2.gz OLTYLUYJBSTPBI-MNOVXSKESA-N 2 0 263.407 -0.145 20 0 CBADRP C[C@@H]1C[C@H](C)N(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000422536584 278953950 /nfs/dbraw/zinc/95/39/50/278953950.db2.gz FQRJDGSGQQTDGP-MROQNXINSA-N 2 0 296.415 -0.314 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000418922137 279114303 /nfs/dbraw/zinc/11/43/03/279114303.db2.gz DLFBLNQHBVAKRU-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418952170 279114493 /nfs/dbraw/zinc/11/44/93/279114493.db2.gz VGZPDLHLXYDHPT-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CCC[N@@H+]1C ZINC000419543788 279120065 /nfs/dbraw/zinc/12/00/65/279120065.db2.gz GUGZPOGRGQXDEE-LPWJVIDDSA-N 2 0 296.415 -0.171 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000423058292 279165989 /nfs/dbraw/zinc/16/59/89/279165989.db2.gz JDSQSSDHHODKIM-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000343616090 279176010 /nfs/dbraw/zinc/17/60/10/279176010.db2.gz KAOAVXFIXFXDME-STQMWFEESA-N 2 0 268.405 -0.134 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000353587487 279177368 /nfs/dbraw/zinc/17/73/68/279177368.db2.gz HCOPUKRDRNQZQZ-RYUDHWBXSA-N 2 0 284.404 -0.184 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351517515 279269302 /nfs/dbraw/zinc/26/93/02/279269302.db2.gz ANKZBBJJYHTVMN-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000331479404 279283606 /nfs/dbraw/zinc/28/36/06/279283606.db2.gz LMSLBZWJNBYZKZ-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000092629664 279299930 /nfs/dbraw/zinc/29/99/30/279299930.db2.gz DOTKTGZSQNLFOX-NEPJUHHUSA-N 2 0 255.362 -0.083 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH3+])CC1=O ZINC000236831537 279304612 /nfs/dbraw/zinc/30/46/12/279304612.db2.gz PYUHRPCJSCFOCJ-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000343287760 279331730 /nfs/dbraw/zinc/33/17/30/279331730.db2.gz BLBNJUWMLUQRFT-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C[NH+]1CCCC1 ZINC000217951163 279341867 /nfs/dbraw/zinc/34/18/67/279341867.db2.gz QHQUOAUCUVXRAR-UTUOFQBUSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000333138449 288128618 /nfs/dbraw/zinc/12/86/18/288128618.db2.gz CRABTDIBMDSFMG-DGCLKSJQSA-N 2 0 294.399 -0.147 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000419882011 279499169 /nfs/dbraw/zinc/49/91/69/279499169.db2.gz BWCSOZVSDHUMHH-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)CN1CC[NH+](CC)CC1 ZINC000358943339 279511065 /nfs/dbraw/zinc/51/10/65/279511065.db2.gz OSJMLQZELVRLRT-GFCCVEGCSA-N 2 0 256.394 -0.262 20 0 CBADRP [NH3+][C@@H]1Cc2ccccc2N(C(=O)COC2C[NH2+]C2)C1 ZINC000424080447 279682154 /nfs/dbraw/zinc/68/21/54/279682154.db2.gz TZHIFDUOXVVVOF-LLVKDONJSA-N 2 0 261.325 -0.109 20 0 CBADRP C[C@@H]1C[NH+](CCOCC[N@H+]2C[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000351774908 288180539 /nfs/dbraw/zinc/18/05/39/288180539.db2.gz PHAYFZWVNWIYNU-LVEBTZEWSA-N 2 0 272.389 -0.372 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])CCC2)C[N@@H+]1C1CC1 ZINC000419324557 280001153 /nfs/dbraw/zinc/00/11/53/280001153.db2.gz VRQAZFBAGZQEMT-QWRGUYRKSA-N 2 0 294.399 -0.275 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000332234091 288300161 /nfs/dbraw/zinc/30/01/61/288300161.db2.gz NAOXMLQFHYXYFQ-GRYCIOLGSA-N 2 0 280.372 -0.759 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000227455464 288303641 /nfs/dbraw/zinc/30/36/41/288303641.db2.gz YQOCELAMSDVQCB-KKOKHZNYSA-N 2 0 253.346 -0.596 20 0 CBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000353160657 288355406 /nfs/dbraw/zinc/35/54/06/288355406.db2.gz DSZNCPNZNCXCMK-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP C[NH+](C)C/C=C\C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000493320922 282023451 /nfs/dbraw/zinc/02/34/51/282023451.db2.gz MWWPFVOVKJTREB-VQTKUKTRSA-N 2 0 267.373 -0.323 20 0 CBADRP CN(C)C1(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CCC1 ZINC000516051981 282043256 /nfs/dbraw/zinc/04/32/56/282043256.db2.gz KJJXZIBHTWBHGD-AWEZNQCLSA-N 2 0 284.448 -0.331 20 0 CBADRP COCC[C@@]1(C(=O)N[C@H](C[NH3+])C2CC2)CC[NH2+]C1 ZINC000370798537 292660936 /nfs/dbraw/zinc/66/09/36/292660936.db2.gz PWQCXXYNCSJQGK-YPMHNXCESA-N 2 0 255.362 -0.144 20 0 CBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000261749158 288944580 /nfs/dbraw/zinc/94/45/80/288944580.db2.gz PZCOIVPKQZAANX-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1([NH3+])CC1 ZINC000237027326 289018721 /nfs/dbraw/zinc/01/87/21/289018721.db2.gz UFJGGCNCAYXMQG-LLVKDONJSA-N 2 0 282.388 -0.463 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CCCC1 ZINC000418844040 289043133 /nfs/dbraw/zinc/04/31/33/289043133.db2.gz SVLXACUCJNNRSH-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH+](C)C1(CNC(=O)C[C@@H]2C[NH2+]CCO2)CCOCC1 ZINC000430705602 289045419 /nfs/dbraw/zinc/04/54/19/289045419.db2.gz LJRHXVBAWAVPKX-GFCCVEGCSA-N 2 0 285.388 -0.408 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CCC[N@@H+]1C ZINC000419540859 289049704 /nfs/dbraw/zinc/04/97/04/289049704.db2.gz CSMVMWOBZNKIRM-GRYCIOLGSA-N 2 0 282.388 -0.547 20 0 CBADRP C[NH+](C)CCN(C(=O)CNC(=O)C[NH3+])c1ccccc1 ZINC000125212529 289120808 /nfs/dbraw/zinc/12/08/08/289120808.db2.gz RMJCMEUTGIUWGA-UHFFFAOYSA-N 2 0 278.356 -0.344 20 0 CBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424193361 289138924 /nfs/dbraw/zinc/13/89/24/289138924.db2.gz QOWXIVIHILQIEF-TUAOUCFPSA-N 2 0 255.362 -0.097 20 0 CBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000423736808 289139642 /nfs/dbraw/zinc/13/96/42/289139642.db2.gz CAGIIAPCJSXERH-QWHCGFSZSA-N 2 0 285.388 -0.456 20 0 CBADRP C[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCCC[NH2+]1 ZINC000357811239 289140055 /nfs/dbraw/zinc/14/00/55/289140055.db2.gz TVWUINHQEDFEHD-WFASDCNBSA-N 2 0 296.415 -0.025 20 0 CBADRP C[NH+](C)C[C@H]1CN(C(=O)C[NH2+]CC2CC2)CCO1 ZINC000423754831 289214872 /nfs/dbraw/zinc/21/48/72/289214872.db2.gz IRIFLYFVUHFDQT-LBPRGKRZSA-N 2 0 255.362 -0.225 20 0 CBADRP COCC[C@]1(C(=O)N2CC[C@H]([NH3+])[C@H]2C)CC[NH2+]C1 ZINC000343597257 292724648 /nfs/dbraw/zinc/72/46/48/292724648.db2.gz MWPFKOLOECFPAW-NTZNESFSSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420302072 289242929 /nfs/dbraw/zinc/24/29/29/289242929.db2.gz WEZVVOZKVGIUFR-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344031060 289338877 /nfs/dbraw/zinc/33/88/77/289338877.db2.gz OZNLNWWRJLXQNJ-LLVKDONJSA-N 2 0 287.408 -0.615 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000423647025 289367529 /nfs/dbraw/zinc/36/75/29/289367529.db2.gz MQRHBSMNYQREDV-NEPJUHHUSA-N 2 0 282.388 -0.511 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)COC2C[NH2+]C2)C1 ZINC000430775747 289375102 /nfs/dbraw/zinc/37/51/02/289375102.db2.gz MDKDHWAWHQWTKC-MNOVXSKESA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)NCCN1CC[NH2+]CC1 ZINC000417322602 289469990 /nfs/dbraw/zinc/46/99/90/289469990.db2.gz WCILZUVVFOWCIM-GFCCVEGCSA-N 2 0 271.409 -0.469 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000068807368 290035723 /nfs/dbraw/zinc/03/57/23/290035723.db2.gz RULDEYXIYFQIEC-GHMZBOCLSA-N 2 0 256.394 -0.278 20 0 CBADRP CN1CC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C(C)(C)C1=O ZINC000414717126 290047012 /nfs/dbraw/zinc/04/70/12/290047012.db2.gz XTJVYBQQJZSCCT-LBPRGKRZSA-N 2 0 296.415 -0.264 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418364845 290061206 /nfs/dbraw/zinc/06/12/06/290061206.db2.gz HHZHEHSDJWOSIU-NWDGAFQWSA-N 2 0 269.393 -0.669 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000514861537 293268226 /nfs/dbraw/zinc/26/82/26/293268226.db2.gz XIPWOFHGACBIEL-KGLIPLIRSA-N 2 0 267.373 -0.176 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC[NH2+]C1 ZINC000333459295 293272956 /nfs/dbraw/zinc/27/29/56/293272956.db2.gz YUIFBYGZDKGPIV-WZRBSPASSA-N 2 0 255.362 -0.273 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCC[NH3+] ZINC000430902933 295227359 /nfs/dbraw/zinc/22/73/59/295227359.db2.gz DCWJFQVLWHGBIQ-JTQLQIEISA-N 2 0 256.350 -0.819 20 0 CBADRP NS(=O)(=O)C[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261950830 295282589 /nfs/dbraw/zinc/28/25/89/295282589.db2.gz NZTNDMZDKDJXMB-GFCCVEGCSA-N 2 0 275.418 -0.014 20 0 CBADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C3C[NH2+]C3)CC2)C1 ZINC000424274948 295318763 /nfs/dbraw/zinc/31/87/63/295318763.db2.gz ARDLFHSNLOVENP-OLZOCXBDSA-N 2 0 267.373 -0.049 20 0 CBADRP [NH3+][C@@H]1CCc2nc(NC(=O)[C@H]3C[NH2+]CCO3)sc2C1 ZINC000343479309 295323629 /nfs/dbraw/zinc/32/36/29/295323629.db2.gz QQSDRRPETNAMDZ-VXNVDRBHSA-N 2 0 282.369 -0.114 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000424153891 295324691 /nfs/dbraw/zinc/32/46/91/295324691.db2.gz LVNVBJHSLNZIED-XQHKEYJVSA-N 2 0 294.399 -0.560 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[N@H+](CC3CC[NH2+]CC3)CCN2C1=O ZINC000515073206 295326267 /nfs/dbraw/zinc/32/62/67/295326267.db2.gz NGLPWLZERHLINK-NWDGAFQWSA-N 3 0 252.362 -0.770 20 0 CBADRP O=C(C1C[NH2+]C1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000367810098 295454787 /nfs/dbraw/zinc/45/47/87/295454787.db2.gz MWTDJVHSKNSTOQ-NWDGAFQWSA-N 2 0 253.346 -0.737 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000349001041 295476694 /nfs/dbraw/zinc/47/66/94/295476694.db2.gz OEOSFPCKGZMWGS-ZDUSSCGKSA-N 2 0 297.399 -0.454 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000346124556 297267848 /nfs/dbraw/zinc/26/78/48/297267848.db2.gz XPEZNIFTIYESMT-VXGBXAGGSA-N 2 0 296.415 -0.252 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CCCNS(C)(=O)=O)CC[N@@H+]1C ZINC000121135178 297283902 /nfs/dbraw/zinc/28/39/02/297283902.db2.gz YPGJLLLGANMWEN-MNOVXSKESA-N 2 0 263.407 -0.002 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418816716 298523162 /nfs/dbraw/zinc/52/31/62/298523162.db2.gz GRDOLBVNELZDDR-GFCCVEGCSA-N 2 0 298.431 -0.064 20 0 CBADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419126022 298579195 /nfs/dbraw/zinc/57/91/95/298579195.db2.gz VEVUYWDXTXZKOZ-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000354700564 298686391 /nfs/dbraw/zinc/68/63/91/298686391.db2.gz WYIUIMRODNYGPP-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333893044 300000579 /nfs/dbraw/zinc/00/05/79/300000579.db2.gz YNEXPIQIBRRBPO-USZNOCQGSA-N 2 0 252.362 -0.012 20 0 CBADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H](C(N)=O)O1 ZINC000359200720 300254620 /nfs/dbraw/zinc/25/46/20/300254620.db2.gz GXJRCDWQWQJJHN-CMPLNLGQSA-N 2 0 255.362 -0.049 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCCN1CC[NH+](C)CC1 ZINC000040808783 528497737 /nfs/dbraw/zinc/49/77/37/528497737.db2.gz YPGLBAFWWFMESU-GFCCVEGCSA-N 2 0 256.394 -0.277 20 0 CBADRP [NH3+]C1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCCC1 ZINC000368559983 303354045 /nfs/dbraw/zinc/35/40/45/303354045.db2.gz AMGWPCWIIPYLLD-LBPRGKRZSA-N 2 0 266.389 -0.236 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000132200680 303382679 /nfs/dbraw/zinc/38/26/79/303382679.db2.gz JHGYFHMQYBOIPF-MFKMUULPSA-N 2 0 286.351 -0.999 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377563013 303460044 /nfs/dbraw/zinc/46/00/44/303460044.db2.gz KSVNWRSEPTUFIE-RWMBFGLXSA-N 2 0 266.389 -0.380 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000368561132 303645548 /nfs/dbraw/zinc/64/55/48/303645548.db2.gz JZGAEQRMHZPWLV-OCCSQVGLSA-N 2 0 267.373 -0.033 20 0 CBADRP O=C(NC1C[NH2+]C1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335397377 303747889 /nfs/dbraw/zinc/74/78/89/303747889.db2.gz VQJUPWYFSKNDBG-QWRGUYRKSA-N 2 0 252.362 -0.011 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1=O ZINC000570805010 327620516 /nfs/dbraw/zinc/62/05/16/327620516.db2.gz JAIHXVRPLLHYPI-XQQFMLRXSA-N 2 0 296.415 -0.360 20 0 CBADRP CC(C)[NH2+]CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000570817997 327621335 /nfs/dbraw/zinc/62/13/35/327621335.db2.gz CJXFIICQQDZDRS-DOMZBBRYSA-N 2 0 296.415 -0.253 20 0 CBADRP O=C(NC1C[NH2+]C1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000574907310 327637989 /nfs/dbraw/zinc/63/79/89/327637989.db2.gz SNORILKXFHANAG-LBPRGKRZSA-N 2 0 280.372 -0.839 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000580192729 327727830 /nfs/dbraw/zinc/72/78/30/327727830.db2.gz BRWPJWIFLJWUQI-GHMZBOCLSA-N 2 0 270.377 -0.641 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000562976827 327731742 /nfs/dbraw/zinc/73/17/42/327731742.db2.gz SKQMXKUYNQGKDH-RNWYCLNJSA-N 2 0 253.346 -0.441 20 0 CBADRP COC[C@@]1(CNC(=O)[C@@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000562979437 327732739 /nfs/dbraw/zinc/73/27/39/327732739.db2.gz VYSRRRYJSDWSFC-YPMHNXCESA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000563107589 327924841 /nfs/dbraw/zinc/92/48/41/327924841.db2.gz RDCCAELQKYIKQB-VHSXEESVSA-N 2 0 263.345 -0.032 20 0 CBADRP CC[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)[C@H](O)C(C)C ZINC000563139329 327928894 /nfs/dbraw/zinc/92/88/94/327928894.db2.gz YURNXTYAHREZKY-QLFBSQMISA-N 2 0 287.448 -0.020 20 0 CBADRP CC[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)[C@H](O)C(C)C ZINC000563139330 327928897 /nfs/dbraw/zinc/92/88/97/327928897.db2.gz YURNXTYAHREZKY-SOUVJXGZSA-N 2 0 287.448 -0.020 20 0 CBADRP CC(C)[C@](C)(C[NH3+])NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000563156668 327932109 /nfs/dbraw/zinc/93/21/09/327932109.db2.gz IIOLEQUWKCMOLF-RISCZKNCSA-N 2 0 284.404 -0.266 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C[C@H]3CCC[NH2+]CC3)CCN2C1=O ZINC000567368010 328061079 /nfs/dbraw/zinc/06/10/79/328061079.db2.gz JGUWDOWHJSWXMG-YNEHKIRRSA-N 2 0 294.399 -0.463 20 0 CBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NCCC[NH2+]C3CC3)CCN2C1=O ZINC000563451201 328066227 /nfs/dbraw/zinc/06/62/27/328066227.db2.gz JZFQPVUAEBNWME-RYUDHWBXSA-N 2 0 295.387 -0.918 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000563451720 328066263 /nfs/dbraw/zinc/06/62/63/328066263.db2.gz MJTUVLCYPWNMCO-WRWGMCAJSA-N 2 0 295.387 -0.933 20 0 CBADRP Cc1nccn1CCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563444002 328067082 /nfs/dbraw/zinc/06/70/82/328067082.db2.gz ZYLIKEGNSQOBAZ-OLZOCXBDSA-N 2 0 277.372 -0.175 20 0 CBADRP CC[NH+](CC)CCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000563529462 328071998 /nfs/dbraw/zinc/07/19/98/328071998.db2.gz LKMUUMXQJXPYFR-LBPRGKRZSA-N 2 0 271.409 -0.388 20 0 CBADRP C[NH2+][C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1cnn(C)c1 ZINC000563531972 328072161 /nfs/dbraw/zinc/07/21/61/328072161.db2.gz DUZJBMGHJBYZMC-STQMWFEESA-N 2 0 295.387 -0.530 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)O1 ZINC000563534981 328072290 /nfs/dbraw/zinc/07/22/90/328072290.db2.gz VVBFUDSKHAWEFA-MJDLHHQISA-N 2 0 253.346 -0.312 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000563588258 328075230 /nfs/dbraw/zinc/07/52/30/328075230.db2.gz UTTMVIAMTFKFFL-GJZGRUSLSA-N 2 0 290.411 -0.034 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000563597508 328076214 /nfs/dbraw/zinc/07/62/14/328076214.db2.gz XSKWOPKYIXYZCX-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP CN1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000563599318 328076366 /nfs/dbraw/zinc/07/63/66/328076366.db2.gz VGHWGZTYAKLIJO-STQMWFEESA-N 2 0 283.420 -0.340 20 0 CBADRP CN1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000563599317 328076383 /nfs/dbraw/zinc/07/63/83/328076383.db2.gz VGHWGZTYAKLIJO-QWHCGFSZSA-N 2 0 283.420 -0.340 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000571083975 328084974 /nfs/dbraw/zinc/08/49/74/328084974.db2.gz XQFMPZGCKJIUGX-VXGBXAGGSA-N 2 0 266.389 -0.604 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CC2CC[NH2+]CC2)C1 ZINC000571204924 328092130 /nfs/dbraw/zinc/09/21/30/328092130.db2.gz IFQKBWIANVSXEV-CYBMUJFWSA-N 2 0 296.415 -0.310 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CC2CC[NH2+]CC2)C1 ZINC000571204925 328092254 /nfs/dbraw/zinc/09/22/54/328092254.db2.gz IFQKBWIANVSXEV-ZDUSSCGKSA-N 2 0 296.415 -0.310 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000572839611 328101010 /nfs/dbraw/zinc/10/10/10/328101010.db2.gz WEOLVRKPJHNKRI-AGIUHOORSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)C(F)F ZINC000571325947 328107487 /nfs/dbraw/zinc/10/74/87/328107487.db2.gz XZKQLCRCLGMGDV-JGVFFNPUSA-N 2 0 251.277 -0.536 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000571423367 328120971 /nfs/dbraw/zinc/12/09/71/328120971.db2.gz QFPOLLRBLZFSRG-OLZOCXBDSA-N 2 0 294.399 -0.449 20 0 CBADRP C[C@@]1(CNC(=O)C[C@H]2COCC[NH2+]2)CCC[NH2+]C1 ZINC000571432324 328121177 /nfs/dbraw/zinc/12/11/77/328121177.db2.gz SJXRKOIBIHIPBE-WCQYABFASA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000571464364 328123656 /nfs/dbraw/zinc/12/36/56/328123656.db2.gz XCUYCGHQHIJBNB-MNOVXSKESA-N 2 0 280.376 -0.161 20 0 CBADRP C[C@@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000584340473 328127741 /nfs/dbraw/zinc/12/77/41/328127741.db2.gz GEGHIJVUTWKNLL-AAEUAGOBSA-N 2 0 283.420 -0.247 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000571519213 328131611 /nfs/dbraw/zinc/13/16/11/328131611.db2.gz LJWDDCVQXUUFBX-QWHCGFSZSA-N 2 0 285.388 -0.408 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000571566281 328135577 /nfs/dbraw/zinc/13/55/77/328135577.db2.gz PWOPKTDMPBEWGA-UHFFFAOYSA-N 2 0 268.405 -0.262 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000571562343 328133989 /nfs/dbraw/zinc/13/39/89/328133989.db2.gz FUCJMFIEHSWLKH-JQWIXIFHSA-N 2 0 270.377 -0.704 20 0 CBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000582727068 329131673 /nfs/dbraw/zinc/13/16/73/329131673.db2.gz PQQCXXWECVAWMN-FVCCEPFGSA-N 2 0 267.373 -0.443 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000582904214 329283871 /nfs/dbraw/zinc/28/38/71/329283871.db2.gz HENRYOANUIANQF-DCAQKATOSA-N 2 0 268.361 -0.889 20 0 CBADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000583024201 329299312 /nfs/dbraw/zinc/29/93/12/329299312.db2.gz NJJOAESWZZKZSF-JASNWFPJSA-N 2 0 267.373 -0.003 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)C1 ZINC000583929363 326799661 /nfs/dbraw/zinc/79/96/61/326799661.db2.gz DSSKFKKCHORGDG-NOOOWODRSA-N 2 0 255.362 -0.193 20 0 CBADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000557265147 326999473 /nfs/dbraw/zinc/99/94/73/326999473.db2.gz AFDKLHAZIAWMLM-IJLUTSLNSA-N 2 0 296.415 -0.443 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000557596138 327015168 /nfs/dbraw/zinc/01/51/68/327015168.db2.gz LBAWXWOOWSNMGX-STQMWFEESA-N 2 0 268.405 -0.310 20 0 CBADRP CCNC(=O)CN1CCCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000568867214 327020810 /nfs/dbraw/zinc/02/08/10/327020810.db2.gz PAYRTEMBKFZXMY-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CO[C@](C)(C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C1CC1 ZINC000568993399 327027892 /nfs/dbraw/zinc/02/78/92/327027892.db2.gz LCDQQGYTCFNUMJ-LSDHHAIUSA-N 2 0 285.432 -0.001 20 0 CBADRP COC[C@]1(C(=O)NCC[N@@H+]2CCCOCC2)CC[NH2+]C1 ZINC000576463023 327033215 /nfs/dbraw/zinc/03/32/15/327033215.db2.gz FBMQNKPESCMREH-AWEZNQCLSA-N 2 0 285.388 -0.549 20 0 CBADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cn(CCC[NH3+])nn1 ZINC000584226840 327068989 /nfs/dbraw/zinc/06/89/89/327068989.db2.gz QVVZAOZHIIDUNL-SNVBAGLBSA-N 2 0 268.365 -0.270 20 0 CBADRP COC[C@]1(CNC(=O)[C@H]2CC[NH2+][C@@H]2C)CCC[NH2+]1 ZINC000569240446 327072938 /nfs/dbraw/zinc/07/29/38/327072938.db2.gz TWZGQBVTXGRTJM-NTZNESFSSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000569338113 327075059 /nfs/dbraw/zinc/07/50/59/327075059.db2.gz AEODCUFKICCUSE-ZJUUUORDSA-N 2 0 256.350 -0.950 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000569342075 327098931 /nfs/dbraw/zinc/09/89/31/327098931.db2.gz NRWIQGRMJXAULC-YRGRVCCFSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000564450572 327099443 /nfs/dbraw/zinc/09/94/43/327099443.db2.gz KELXESQTEMAFIQ-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH+](C)CC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000564450770 327100061 /nfs/dbraw/zinc/10/00/61/327100061.db2.gz ZBZNYDFICKUUPC-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000564453735 327121870 /nfs/dbraw/zinc/12/18/70/327121870.db2.gz NOATWHWEKXWYDK-GARJFASQSA-N 2 0 268.361 -0.963 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2C[C@@H](O)C2(C)C)CC1 ZINC000573324127 327135076 /nfs/dbraw/zinc/13/50/76/327135076.db2.gz HNCGZURZLYTQSY-JHJVBQTASA-N 2 0 271.405 -0.656 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCN(C3CC3)C2)CC1 ZINC000566107847 327137278 /nfs/dbraw/zinc/13/72/78/327137278.db2.gz BALCSJWNAQAATN-UKRRQHHQSA-N 2 0 282.432 -0.579 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCN(C3CC3)C2)CC1 ZINC000566107846 327137402 /nfs/dbraw/zinc/13/74/02/327137402.db2.gz BALCSJWNAQAATN-HIFRSBDPSA-N 2 0 282.432 -0.579 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCN(C3CC3)C2)CC1 ZINC000566107848 327137418 /nfs/dbraw/zinc/13/74/18/327137418.db2.gz BALCSJWNAQAATN-ZFWWWQNUSA-N 2 0 282.432 -0.579 20 0 CBADRP CC1CC[NH+](C[C@H](O)CNC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000564923261 327149516 /nfs/dbraw/zinc/14/95/16/327149516.db2.gz NJOMFUZWZDVFGV-ZIAGYGMSSA-N 2 0 299.415 -0.426 20 0 CBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)COC3CC[NH2+]CC3)C[C@@H]12 ZINC000564931801 327161420 /nfs/dbraw/zinc/16/14/20/327161420.db2.gz UNOPODCMBRXESQ-CYZMBNFOSA-N 2 0 267.373 -0.049 20 0 CBADRP CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1(C[NH3+])CCC1 ZINC000569457912 327180364 /nfs/dbraw/zinc/18/03/64/327180364.db2.gz ABJSBMCSTGWONC-NSHDSACASA-N 2 0 282.388 -0.416 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)C[C@@H]21 ZINC000569474154 327183347 /nfs/dbraw/zinc/18/33/47/327183347.db2.gz YTFKJMJTIBPZEG-NEPJUHHUSA-N 2 0 294.399 -0.641 20 0 CBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NC1C[NH2+]C1)C(C)(C)C ZINC000569558995 327197572 /nfs/dbraw/zinc/19/75/72/327197572.db2.gz AVGGZLNMXMSVSJ-LLVKDONJSA-N 2 0 284.404 -0.443 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000569558579 327197789 /nfs/dbraw/zinc/19/77/89/327197789.db2.gz XBXQCPVOUHQNTQ-CQSZACIVSA-N 2 0 297.447 -0.079 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)[C@@]2(COC)CC[NH2+]C2)C1 ZINC000569572866 327199456 /nfs/dbraw/zinc/19/94/56/327199456.db2.gz GFDZBLUQHSELCO-AAEUAGOBSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000569592466 327202145 /nfs/dbraw/zinc/20/21/45/327202145.db2.gz YGPRONNNMUZCEW-UPJWGTAASA-N 2 0 294.399 -0.641 20 0 CBADRP CN(C[C@@H](O)C[NH3+])C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000582122803 327220074 /nfs/dbraw/zinc/22/00/74/327220074.db2.gz ASLLSKZPAWNXCI-IHRRRGAJSA-N 2 0 267.373 -0.831 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NCC[N@@H+]2CCCOCC2)O1 ZINC000584290322 327222211 /nfs/dbraw/zinc/22/22/11/327222211.db2.gz TUVQDMPNSNLWMR-NEPJUHHUSA-N 2 0 271.361 -0.669 20 0 CBADRP C[NH2+][C@@H](C(=O)N1CCC[C@@H]([NH3+])C1)c1cnn(C)c1 ZINC000584290481 327222565 /nfs/dbraw/zinc/22/25/65/327222565.db2.gz CZNLHIGALJWCSD-GHMZBOCLSA-N 2 0 251.334 -0.370 20 0 CBADRP C[NH2+][C@H](C(=O)N1CCC[C@@H]([NH3+])C1)c1cnn(C)c1 ZINC000584290482 327222582 /nfs/dbraw/zinc/22/25/82/327222582.db2.gz CZNLHIGALJWCSD-MNOVXSKESA-N 2 0 251.334 -0.370 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000584294252 327224667 /nfs/dbraw/zinc/22/46/67/327224667.db2.gz KSOHRYQZUQZQMX-BFHYXJOUSA-N 2 0 298.431 -0.637 20 0 CBADRP CC[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)[C@@H](O)CC ZINC000566232236 327252043 /nfs/dbraw/zinc/25/20/43/327252043.db2.gz ZUNRDPNTVMBVSL-MCIONIFRSA-N 2 0 273.421 -0.266 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000566236542 327253856 /nfs/dbraw/zinc/25/38/56/327253856.db2.gz FTTDLRLHWXBDEB-MPPDQPJWSA-N 2 0 296.415 -0.173 20 0 CBADRP C[C@H](C[NH3+])C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000573798099 327258074 /nfs/dbraw/zinc/25/80/74/327258074.db2.gz DKORDWBZRZMQDE-VXGBXAGGSA-N 2 0 257.378 -0.210 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000566248441 327260113 /nfs/dbraw/zinc/26/01/13/327260113.db2.gz CWPMEHBRLCNPOA-RYUDHWBXSA-N 2 0 280.372 -0.793 20 0 CBADRP [NH3+]CCc1nc(C(=O)NC[C@@H]2C[NH2+]CCO2)cs1 ZINC000566249840 327260800 /nfs/dbraw/zinc/26/08/00/327260800.db2.gz OAGWHMISGLJZNC-QMMMGPOBSA-N 2 0 270.358 -0.638 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566252561 327263040 /nfs/dbraw/zinc/26/30/40/327263040.db2.gz BLLZOJJMMZBANO-JSGCOSHPSA-N 2 0 267.373 -0.033 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000564969465 327289740 /nfs/dbraw/zinc/28/97/40/327289740.db2.gz XUSUXRPVRRQZHQ-STQMWFEESA-N 3 0 268.405 -0.227 20 0 CBADRP C[C@@H]1CN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H](C)[NH2+]1 ZINC000564969599 327290202 /nfs/dbraw/zinc/29/02/02/327290202.db2.gz VEHYTKCJDCSYDA-UPJWGTAASA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])[N@H+](C)C1CC1 ZINC000574413093 327330960 /nfs/dbraw/zinc/33/09/60/327330960.db2.gz HMFVQAZEESKRQR-JTQLQIEISA-N 2 0 270.377 -0.608 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(CC(=O)N3CCCCC3)CCN2C1=O ZINC000583392799 327340743 /nfs/dbraw/zinc/34/07/43/327340743.db2.gz QFOSXPVBDBIOBO-NWDGAFQWSA-N 2 0 280.372 -0.757 20 0 CBADRP C[C@]([NH2+]CCN1CC[NH2+]CC1)(C(N)=O)c1ccccc1 ZINC000564989560 327341294 /nfs/dbraw/zinc/34/12/94/327341294.db2.gz RCHXXRYOCLADEZ-OAHLLOKOSA-N 2 0 276.384 -0.118 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000564991411 327343361 /nfs/dbraw/zinc/34/33/61/327343361.db2.gz TYAKHIBADQISDY-MDZLAQPJSA-N 2 0 284.404 -0.328 20 0 CBADRP CC[C@@H](C(=O)NCC(=O)N1CC[NH2+]CC1)[NH+](CC)CC ZINC000578630850 327347352 /nfs/dbraw/zinc/34/73/52/327347352.db2.gz DODPPYAZVZBKMG-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC1(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)C[NH2+]C1 ZINC000578747124 327349501 /nfs/dbraw/zinc/34/95/01/327349501.db2.gz IBRLGGCSGBMVHB-NSHDSACASA-N 2 0 267.373 -0.190 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000561203641 327375293 /nfs/dbraw/zinc/37/52/93/327375293.db2.gz IJCXDVRDWOSTIA-GFCCVEGCSA-N 2 0 297.403 -0.846 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1C[NH2+]C1 ZINC000561256977 327380210 /nfs/dbraw/zinc/38/02/10/327380210.db2.gz OBJBUXXDPGFMIJ-NEPJUHHUSA-N 2 0 280.372 -0.840 20 0 CBADRP C[C@@H](NC(=O)C1CC[NH+](C)CC1)C(=O)NCC[NH+](C)C ZINC000569623086 327383661 /nfs/dbraw/zinc/38/36/61/327383661.db2.gz JPLDCIVYTUXZDQ-LLVKDONJSA-N 2 0 284.404 -0.489 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[NH+](C)C ZINC000566497117 327399652 /nfs/dbraw/zinc/39/96/52/327399652.db2.gz XBTOBGWYDVHWFG-TUAOUCFPSA-N 2 0 282.388 -0.657 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566984605 327515170 /nfs/dbraw/zinc/51/51/70/327515170.db2.gz MYIJZEGZOZHICR-OUAUKWLOSA-N 2 0 280.372 -0.855 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)[NH3+] ZINC000562817778 327516633 /nfs/dbraw/zinc/51/66/33/327516633.db2.gz AQYLYNPEHRCBEJ-UHFFFAOYSA-N 3 0 273.425 -0.142 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000569698487 327537244 /nfs/dbraw/zinc/53/72/44/327537244.db2.gz CTGRSEIPUDPFNF-LBPRGKRZSA-N 3 0 273.425 -0.284 20 0 CBADRP COC[C@]1(CNC(=O)[C@@H](C)C2C[NH2+]C2)CCC[NH2+]1 ZINC000569925857 327556245 /nfs/dbraw/zinc/55/62/45/327556245.db2.gz ADHSBQLIJQFBON-GXFFZTMASA-N 2 0 255.362 -0.273 20 0 CBADRP CC1(CNC(=O)CCOC2C[NH2+]C2)CC[NH2+]CC1 ZINC000570037448 327564252 /nfs/dbraw/zinc/56/42/52/327564252.db2.gz ZRYRUVFANACCDM-UHFFFAOYSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CCC[NH2+]C1 ZINC000570569987 327601159 /nfs/dbraw/zinc/60/11/59/327601159.db2.gz NWKAVXHEPNLWCF-WDEREUQCSA-N 2 0 268.361 -0.887 20 0 CBADRP COCC[NH2+]CCNC(=O)c1ccnc(C[NH3+])c1 ZINC000582180228 328614958 /nfs/dbraw/zinc/61/49/58/328614958.db2.gz DJTGYBPXVWWNPR-UHFFFAOYSA-N 2 0 252.318 -0.494 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]([NH3+])CCC(=O)OC)C1 ZINC000584350118 328730515 /nfs/dbraw/zinc/73/05/15/328730515.db2.gz OZMMKSLBGDIXBG-VHSXEESVSA-N 2 0 257.334 -0.523 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000582236399 328836555 /nfs/dbraw/zinc/83/65/55/328836555.db2.gz SKQMXKUYNQGKDH-PREPNJAASA-N 2 0 253.346 -0.441 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000571679595 328850515 /nfs/dbraw/zinc/85/05/15/328850515.db2.gz OKINSAXQTNVSJN-DTWKUNHWSA-N 2 0 251.334 -0.046 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000582312537 328959378 /nfs/dbraw/zinc/95/93/78/328959378.db2.gz AYOJJKZIKSGDIJ-LBPRGKRZSA-N 3 0 271.409 -0.517 20 0 CBADRP CC1=CCN(CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000582416446 328983453 /nfs/dbraw/zinc/98/34/53/328983453.db2.gz UEJWFGQTSUPULP-MRXNPFEDSA-N 2 0 296.459 -0.164 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)NCC[N@H+]1CC=CCC1 ZINC000392870868 329059686 /nfs/dbraw/zinc/05/96/86/329059686.db2.gz YNBBGQCKWNCFFG-LBPRGKRZSA-N 2 0 253.346 -0.257 20 0 CBADRP COC[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000582541872 329109103 /nfs/dbraw/zinc/10/91/03/329109103.db2.gz RARVEHNJWUFEQT-NWDGAFQWSA-N 2 0 273.377 -0.829 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000582604806 329114701 /nfs/dbraw/zinc/11/47/01/329114701.db2.gz GCDOBTFUULDGBU-IJLUTSLNSA-N 2 0 255.362 -0.192 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000582607182 329115659 /nfs/dbraw/zinc/11/56/59/329115659.db2.gz YAASLZGXJHBUIP-KGLIPLIRSA-N 2 0 275.352 -0.195 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C[C@H]1[NH3+] ZINC000582715865 329129616 /nfs/dbraw/zinc/12/96/16/329129616.db2.gz RGSABBIIHNKLOR-PRULPYPASA-N 2 0 294.399 -0.467 20 0 CBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000582727069 329131583 /nfs/dbraw/zinc/13/15/83/329131583.db2.gz PQQCXXWECVAWMN-MROQNXINSA-N 2 0 267.373 -0.443 20 0 CBADRP COC(=O)C1CC[NH+](CCCNC(=O)C[NH3+])CC1 ZINC000582846901 329279301 /nfs/dbraw/zinc/27/93/01/329279301.db2.gz UGTUEVYYLWOYAR-UHFFFAOYSA-N 2 0 257.334 -0.664 20 0 CBADRP CN1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000582894795 329282221 /nfs/dbraw/zinc/28/22/21/329282221.db2.gz POCXMSLSSWLTAH-WDEREUQCSA-N 2 0 255.366 -0.977 20 0 CBADRP Cn1cc(C[N@H+](C)C2CC([NH3+])C2)c(=O)n(C)c1=O ZINC000582965822 329294882 /nfs/dbraw/zinc/29/48/82/329294882.db2.gz XSRWIVAXHKGONH-UHFFFAOYSA-N 2 0 252.318 -0.995 20 0 CBADRP CO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1(C)C ZINC000583019788 329298104 /nfs/dbraw/zinc/29/81/04/329298104.db2.gz MMDXIUUPZKXXGZ-MGPQQGTHSA-N 2 0 285.432 -0.002 20 0 CBADRP CO[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1(C)C ZINC000583019787 329298157 /nfs/dbraw/zinc/29/81/57/329298157.db2.gz MMDXIUUPZKXXGZ-MELADBBJSA-N 2 0 285.432 -0.002 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000583073930 329310504 /nfs/dbraw/zinc/31/05/04/329310504.db2.gz NMDOJFBCZDIACV-LBPRGKRZSA-N 2 0 299.419 -0.552 20 0 CBADRP O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1CC[C@H]1CC[NH2+]C1 ZINC000583082434 329311653 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-0.488 20 0 CBADRP CC(C)[C@H](O)C1(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000572040054 329939410 /nfs/dbraw/zinc/93/94/10/329939410.db2.gz YXARBYXFRKJPHT-CABCVRRESA-N 2 0 299.459 -0.019 20 0 CBADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CC[NH2+]1 ZINC000572113081 329945496 /nfs/dbraw/zinc/94/54/96/329945496.db2.gz KPKWLTMUERIOQU-RKDXNWHRSA-N 2 0 280.294 -0.699 20 0 CBADRP [NH3+]C[C@H]1C[N@H+](CCCN2CCOCC2)CCCO1 ZINC000572410380 330064407 /nfs/dbraw/zinc/06/44/07/330064407.db2.gz YHCNWGMBXUNHJO-ZDUSSCGKSA-N 2 0 257.378 -0.242 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000572481063 330627163 /nfs/dbraw/zinc/62/71/63/330627163.db2.gz OEKFLDOHHVZYRL-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP COC(=O)[C@H]1CC[C@@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000580532979 335107734 /nfs/dbraw/zinc/10/77/34/335107734.db2.gz XHFIRZGHHZGQLS-TUAOUCFPSA-N 2 0 298.387 -0.388 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C1(C)C[NH2+]C1 ZINC000575745134 335111071 /nfs/dbraw/zinc/11/10/71/335111071.db2.gz IANHVIKAEROWBO-NSHDSACASA-N 2 0 254.378 -0.652 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C(F)F ZINC000575747922 335111536 /nfs/dbraw/zinc/11/15/36/335111536.db2.gz BPAKBMQALTXTAM-RKDXNWHRSA-N 2 0 292.330 -0.657 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000566199210 334635218 /nfs/dbraw/zinc/63/52/18/334635218.db2.gz TZGNWVRQKFDFNX-CMPLNLGQSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH+](C)C[C@H]1CCCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000569240039 334863357 /nfs/dbraw/zinc/86/33/57/334863357.db2.gz GIHKBTINJIYRLC-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000575866998 335126012 /nfs/dbraw/zinc/12/60/12/335126012.db2.gz ZVVSBQZYUUKOFX-SNVBAGLBSA-N 2 0 256.350 -0.915 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000575869637 335126563 /nfs/dbraw/zinc/12/65/63/335126563.db2.gz FGTRKUGRIVIEJY-AAEUAGOBSA-N 2 0 284.404 -0.266 20 0 CBADRP COC(C)(C)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000575981582 335137676 /nfs/dbraw/zinc/13/76/76/335137676.db2.gz SRAMXAOKUFLHGT-LBPRGKRZSA-N 2 0 259.394 -0.391 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000576092315 335152116 /nfs/dbraw/zinc/15/21/16/335152116.db2.gz HLMXRUPAASQVGR-GRYCIOLGSA-N 2 0 254.378 -0.606 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000576120808 335157374 /nfs/dbraw/zinc/15/73/74/335157374.db2.gz QLBSQKYZFYHCFO-CQSZACIVSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3C[NH2+]CCO3)[C@@H]2C1 ZINC000576156810 335161577 /nfs/dbraw/zinc/16/15/77/335161577.db2.gz KJRNWAJXVFFSJM-JHJVBQTASA-N 2 0 267.373 -0.083 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3C[NH2+]CCO3)[C@@H]2C1 ZINC000576156809 335161623 /nfs/dbraw/zinc/16/16/23/335161623.db2.gz KJRNWAJXVFFSJM-FRRDWIJNSA-N 2 0 267.373 -0.083 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174729846 335165320 /nfs/dbraw/zinc/16/53/20/335165320.db2.gz RGASLPNTBIKNEB-GFCCVEGCSA-N 2 0 256.394 -0.180 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NC3C[NH2+]C3)CC[C@H]21 ZINC000567573505 334359857 /nfs/dbraw/zinc/35/98/57/334359857.db2.gz ILHJUACESYKJNS-CMPLNLGQSA-N 2 0 280.372 -0.983 20 0 CBADRP C[NH2+][C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000564905448 334527428 /nfs/dbraw/zinc/52/74/28/334527428.db2.gz LXXKITFFLPSVHE-VXGBXAGGSA-N 2 0 265.361 -0.157 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000564922027 334528402 /nfs/dbraw/zinc/52/84/02/334528402.db2.gz DJLKGVKLGHVGMH-VXGBXAGGSA-N 2 0 268.405 -0.121 20 0 CBADRP COC[C@]1(C(=O)NCC[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000564941276 334529662 /nfs/dbraw/zinc/52/96/62/334529662.db2.gz JCCPFSXYSDULFD-YPMHNXCESA-N 2 0 255.362 -0.272 20 0 CBADRP C[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000564981254 334532191 /nfs/dbraw/zinc/53/21/91/334532191.db2.gz ONGMJEITKVIHAB-QMMMGPOBSA-N 2 0 286.357 -0.791 20 0 CBADRP [NH3+][C@@H]1CCc2ncc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)cc2C1 ZINC000564992731 334533049 /nfs/dbraw/zinc/53/30/49/334533049.db2.gz BLJUTUJXCZPNOX-SUZMYJTESA-N 2 0 276.340 -0.441 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565237040 334547281 /nfs/dbraw/zinc/54/72/81/334547281.db2.gz AZJAAOWGCPLULJ-WDEREUQCSA-N 2 0 268.361 -0.901 20 0 CBADRP CCCN(C(=O)NCCN1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000565588741 334576600 /nfs/dbraw/zinc/57/66/00/334576600.db2.gz SGLDSWBSWSLCGR-CYBMUJFWSA-N 2 0 283.420 -0.325 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000565714164 334590266 /nfs/dbraw/zinc/59/02/66/334590266.db2.gz HXEGRQGQHALOOI-IUCAKERBSA-N 2 0 251.334 -0.046 20 0 CBADRP CSCC[C@H]([NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000566188712 334634093 /nfs/dbraw/zinc/63/40/93/334634093.db2.gz GPAOAZGBDKPJAO-NEPJUHHUSA-N 2 0 286.445 -0.427 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000566212323 334636095 /nfs/dbraw/zinc/63/60/95/334636095.db2.gz QCQRKAWIBHMDJG-GSPSYOTPSA-N 2 0 280.416 -0.073 20 0 CBADRP CCCN(C(=O)[C@@H]([NH3+])CCC(=O)OC)[C@H]1CC[NH2+]C1 ZINC000566237183 334637613 /nfs/dbraw/zinc/63/76/13/334637613.db2.gz MJTDNSNZQCCVSQ-QWRGUYRKSA-N 2 0 271.361 -0.133 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000566236620 334637740 /nfs/dbraw/zinc/63/77/40/334637740.db2.gz HQHGRAZXGBPEEN-MNOVXSKESA-N 2 0 272.393 -0.314 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000566247092 334638490 /nfs/dbraw/zinc/63/84/90/334638490.db2.gz RCRAKCMYEOJWTN-AAEUAGOBSA-N 2 0 272.393 -0.425 20 0 CBADRP C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)O1 ZINC000566674149 334659864 /nfs/dbraw/zinc/65/98/64/334659864.db2.gz TVYCFWNMESCDGJ-MCIONIFRSA-N 2 0 271.405 -0.248 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000566733347 334662248 /nfs/dbraw/zinc/66/22/48/334662248.db2.gz QPTYAEJJKAYXSN-KGLIPLIRSA-N 2 0 273.421 -0.145 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000567112003 334682251 /nfs/dbraw/zinc/68/22/51/334682251.db2.gz JJBQLHCRHIUHHY-IUCAKERBSA-N 2 0 257.334 -0.476 20 0 CBADRP [NH3+]C1(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CCC1 ZINC000567164558 334686598 /nfs/dbraw/zinc/68/65/98/334686598.db2.gz NBYMJRQPEOMQRR-JTQLQIEISA-N 2 0 268.361 -0.758 20 0 CBADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000567233932 334696162 /nfs/dbraw/zinc/69/61/62/334696162.db2.gz HKJIAJGKRBSOHS-VXGBXAGGSA-N 2 0 296.415 -0.251 20 0 CBADRP [NH3+]CCc1ccccc1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000567244887 334697115 /nfs/dbraw/zinc/69/71/15/334697115.db2.gz VRMQZHFGJMIIDZ-LBPRGKRZSA-N 2 0 263.341 -0.013 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000567271695 334700031 /nfs/dbraw/zinc/70/00/31/334700031.db2.gz LRLZNLSXOREOLY-UWVGGRQHSA-N 2 0 270.377 -0.656 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000567501486 334726319 /nfs/dbraw/zinc/72/63/19/334726319.db2.gz WSBKOSYYBXGSJU-QWRGUYRKSA-N 2 0 293.371 -0.405 20 0 CBADRP C[C@@]1(CNC(=O)c2cn(CCC[NH3+])nn2)CCC[NH2+]C1 ZINC000567581126 334736715 /nfs/dbraw/zinc/73/67/15/334736715.db2.gz XJXFJZSCYYVLFV-CYBMUJFWSA-N 2 0 280.376 -0.254 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000567647058 334745968 /nfs/dbraw/zinc/74/59/68/334745968.db2.gz PFFCPZGBERNYDG-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP CSC[C@@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000567690549 334752552 /nfs/dbraw/zinc/75/25/52/334752552.db2.gz DIAQRUNTVXBCPG-VXGBXAGGSA-N 2 0 261.435 -0.064 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000567746538 334757671 /nfs/dbraw/zinc/75/76/71/334757671.db2.gz YGWHRZVRQQBUAH-UHFFFAOYSA-N 2 0 282.392 -0.056 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000567822131 334764424 /nfs/dbraw/zinc/76/44/24/334764424.db2.gz YBHPJFOBXJQWAZ-YNEHKIRRSA-N 2 0 283.420 -0.199 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CC[NH+]2CCC1CC2 ZINC000567822728 334764866 /nfs/dbraw/zinc/76/48/66/334764866.db2.gz OGMCFTUYHKUKIJ-LBPRGKRZSA-N 2 0 253.346 -0.329 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000567900026 334773565 /nfs/dbraw/zinc/77/35/65/334773565.db2.gz HRXVSHVKDYVLNP-MDZLAQPJSA-N 2 0 284.404 -0.280 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NCC[C@H]2CCC[NH2+]C2)O1 ZINC000568389004 334821778 /nfs/dbraw/zinc/82/17/78/334821778.db2.gz IWTQXGXIUXERNM-UTUOFQBUSA-N 2 0 255.362 -0.001 20 0 CBADRP COC[C@@H](O)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000568618125 334832692 /nfs/dbraw/zinc/83/26/92/334832692.db2.gz JYJITNGNMFXENR-ZDUSSCGKSA-N 2 0 259.394 -0.391 20 0 CBADRP C[C@@](C[NH3+])(NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000569122123 334856588 /nfs/dbraw/zinc/85/65/88/334856588.db2.gz WBIWDRBBKSRVMG-FZMZJTMJSA-N 2 0 282.388 -0.512 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000572763177 334876553 /nfs/dbraw/zinc/87/65/53/334876553.db2.gz RFSDULZKYZPJFP-LBPRGKRZSA-N 2 0 296.415 -0.039 20 0 CBADRP C[C@@H](NC(=O)C1(C)C[NH2+]C1)C(=O)NCC[NH+]1CCCCC1 ZINC000576463869 335206993 /nfs/dbraw/zinc/20/69/93/335206993.db2.gz WGLYYUBZNZBJOF-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000576627190 335227514 /nfs/dbraw/zinc/22/75/14/335227514.db2.gz QVUDMAVIUOVAFY-MNOVXSKESA-N 2 0 268.361 -0.996 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000576752103 335243173 /nfs/dbraw/zinc/24/31/73/335243173.db2.gz UZHPDFITGXONEN-CHWSQXEVSA-N 2 0 268.405 -0.038 20 0 CBADRP CC[C@H](C)NC(=O)CCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000576807511 335249810 /nfs/dbraw/zinc/24/98/10/335249810.db2.gz ZHGIZZVZJARXJH-NWDGAFQWSA-N 2 0 299.419 -0.425 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)CN1C1CC1 ZINC000576814616 335250517 /nfs/dbraw/zinc/25/05/17/335250517.db2.gz DUJKWXOXRGZBIB-VXGBXAGGSA-N 2 0 266.389 -0.367 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000576821843 335251932 /nfs/dbraw/zinc/25/19/32/335251932.db2.gz ARZQEWBIUDMBFG-JQWIXIFHSA-N 2 0 292.387 -0.070 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000576826875 335252967 /nfs/dbraw/zinc/25/29/67/335252967.db2.gz UYVMHOFSEUMBHC-WZRBSPASSA-N 2 0 282.388 -0.846 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](C[C@@H]3CCCC[C@H]3O)CCN2C1=O ZINC000576837238 335254359 /nfs/dbraw/zinc/25/43/59/335254359.db2.gz GJDBXUMZQZFLDQ-UMSGYPCISA-N 2 0 267.373 -0.219 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000576943368 335267232 /nfs/dbraw/zinc/26/72/32/335267232.db2.gz FILREGIJNKYZPG-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000580775403 335273403 /nfs/dbraw/zinc/27/34/03/335273403.db2.gz VECCSQXSUOERQQ-WZRBSPASSA-N 2 0 282.388 -0.704 20 0 CBADRP C[NH2+]C[C@](C)(O)CN1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000576999366 335275962 /nfs/dbraw/zinc/27/59/62/335275962.db2.gz WDCSSRUBPVJAHR-MFKMUULPSA-N 2 0 297.359 -0.718 20 0 CBADRP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000577062361 335293562 /nfs/dbraw/zinc/29/35/62/335293562.db2.gz HOAIRPAMXMIYFR-NSHDSACASA-N 2 0 271.361 -0.274 20 0 CBADRP O=C(COC1CC[NH2+]CC1)NCCNc1cc[nH+]cc1 ZINC000580643551 335309962 /nfs/dbraw/zinc/30/99/62/335309962.db2.gz FTHBHIWSWWCQHR-UHFFFAOYSA-N 2 0 278.356 -0.200 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000580650198 335311688 /nfs/dbraw/zinc/31/16/88/335311688.db2.gz RJTRKIBAXGBJGA-FOGDFJRCSA-N 2 0 270.377 -0.657 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000577172009 335314363 /nfs/dbraw/zinc/31/43/63/335314363.db2.gz SSYMLSIXPUREOX-JFGNBEQYSA-N 2 0 280.376 -0.257 20 0 CBADRP C[C@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)C1C[NH2+]C1 ZINC000577219883 335324867 /nfs/dbraw/zinc/32/48/67/335324867.db2.gz HUGGLPVREOLQRF-QMMMGPOBSA-N 2 0 279.348 -0.992 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)[NH+](C)C ZINC000577230291 335327207 /nfs/dbraw/zinc/32/72/07/335327207.db2.gz ZMBPSJJSEVSHGS-WDEREUQCSA-N 2 0 272.393 -0.491 20 0 CBADRP CC(C)[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[NH+](C)C ZINC000577232147 335327763 /nfs/dbraw/zinc/32/77/63/335327763.db2.gz XBTOBGWYDVHWFG-QJPTWQEYSA-N 2 0 282.388 -0.657 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000577270577 335332491 /nfs/dbraw/zinc/33/24/91/335332491.db2.gz NEFKJEMIQRAJBL-WXHSDQCUSA-N 2 0 294.399 -0.465 20 0 CBADRP CN1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000577371417 335342199 /nfs/dbraw/zinc/34/21/99/335342199.db2.gz BAJSVWQMNDXRLF-MNOVXSKESA-N 3 0 272.418 -0.817 20 0 CBADRP C[C@@H]1CN(CCC(=O)N2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000577373819 335344276 /nfs/dbraw/zinc/34/42/76/335344276.db2.gz UBAOMHGKNYYXNF-NEPJUHHUSA-N 2 0 254.378 -0.510 20 0 CBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000577374861 335344347 /nfs/dbraw/zinc/34/43/47/335344347.db2.gz HRIMYHYBUZBKJB-ZJUUUORDSA-N 2 0 268.361 -0.889 20 0 CBADRP C[N@H+](C[C@@H](O)CNCCC[NH+]1CCC(O)CC1)C1CC1 ZINC000577493174 335358836 /nfs/dbraw/zinc/35/88/36/335358836.db2.gz WIZXFAHCGPLDQX-HNNXBMFYSA-N 2 0 285.432 -0.122 20 0 CBADRP CNC(=O)CN1CCC(NC(=O)CN2CC(C)(C)C2)CC1 ZINC000577506054 335361398 /nfs/dbraw/zinc/36/13/98/335361398.db2.gz NPKAUADHSPQATI-UHFFFAOYSA-N 2 0 296.415 -0.345 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000577509066 335362345 /nfs/dbraw/zinc/36/23/45/335362345.db2.gz OUASWFUUSNDLET-UHFFFAOYSA-N 2 0 282.388 -0.438 20 0 CBADRP C[N@H+](CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C1CC1 ZINC000577509712 335362510 /nfs/dbraw/zinc/36/25/10/335362510.db2.gz UDBBQGRPVCLKCV-NEPJUHHUSA-N 2 0 295.387 -0.966 20 0 CBADRP CC1CC[NH+](C[C@H](O)CNC(=O)CCC[NH3+])CC1 ZINC000577607484 335377361 /nfs/dbraw/zinc/37/73/61/335377361.db2.gz SAUBXALNABHOHI-GFCCVEGCSA-N 2 0 257.378 -0.066 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000577628358 335382115 /nfs/dbraw/zinc/38/21/15/335382115.db2.gz ZKPZSTHRDXTQMZ-YHWZYXNKSA-N 2 0 296.415 -0.075 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C1CC[NH2+]CC1 ZINC000578235896 335590223 /nfs/dbraw/zinc/59/02/23/335590223.db2.gz HYGDMOKJDOVMQR-CYBMUJFWSA-N 2 0 296.415 -0.168 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000578504855 335642232 /nfs/dbraw/zinc/64/22/32/335642232.db2.gz WAFHWCFQOXEBBZ-FRRDWIJNSA-N 2 0 294.399 -0.545 20 0 CBADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000579252865 335728260 /nfs/dbraw/zinc/72/82/60/335728260.db2.gz GOEKERHVEMNNAA-OXIQGZBJSA-N 2 0 294.399 -0.336 20 0 CBADRP [NH3+][C@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)C1CC1 ZINC000579954088 335935750 /nfs/dbraw/zinc/93/57/50/335935750.db2.gz BNDZMVLJPZBJNV-GFCCVEGCSA-N 2 0 277.372 -0.185 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000581070732 336003797 /nfs/dbraw/zinc/00/37/97/336003797.db2.gz BFRIYWCXSFLJRC-GHMZBOCLSA-N 2 0 270.377 -0.573 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000581193980 336022742 /nfs/dbraw/zinc/02/27/42/336022742.db2.gz ZCUKCAIDMUNJGT-GVXVVHGQSA-N 2 0 284.404 -0.471 20 0 CBADRP Cn1ccnc(N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)c1=O ZINC000581194240 336022807 /nfs/dbraw/zinc/02/28/07/336022807.db2.gz XYBUGQOLVCGNDT-ZDUSSCGKSA-N 2 0 291.399 -0.098 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NCC[C@@H]2CCC[NH2+]C2)nn1 ZINC000581245820 336030951 /nfs/dbraw/zinc/03/09/51/336030951.db2.gz OCFXTRWBOSTISC-NSHDSACASA-N 2 0 280.376 -0.254 20 0 CBADRP [NH3+]CCc1nc(C(=O)NCCN2CC[NH2+]CC2)cs1 ZINC000194758430 336038425 /nfs/dbraw/zinc/03/84/25/336038425.db2.gz PCNUIINWPYWZNF-UHFFFAOYSA-N 2 0 283.401 -0.721 20 0 CBADRP COCCCNC(=O)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000381002626 336043478 /nfs/dbraw/zinc/04/34/78/336043478.db2.gz NAXZYFZWNZUAPA-ZDUSSCGKSA-N 2 0 255.362 -0.176 20 0 CBADRP [NH3+]C[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)C1CCCC1 ZINC000581309812 336045431 /nfs/dbraw/zinc/04/54/31/336045431.db2.gz SBRRFBCXTQORJM-NEPJUHHUSA-N 2 0 255.362 -0.001 20 0 CBADRP CC[NH+]1CCN(C[C@H](O)C[N@H+](C)CCOC)CC1 ZINC000381167597 336053240 /nfs/dbraw/zinc/05/32/40/336053240.db2.gz ASSFKCDGFHPQAE-CYBMUJFWSA-N 2 0 259.394 -0.437 20 0 CBADRP COC(=O)CC[N@H+](CCN1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000581370579 336063036 /nfs/dbraw/zinc/06/30/36/336063036.db2.gz DEDCEXGFXWCZLO-CQSZACIVSA-N 2 0 299.415 -0.064 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCNC[C@H]1c1nccn1C ZINC000581370979 336063209 /nfs/dbraw/zinc/06/32/09/336063209.db2.gz JVJYXNPWQOYNLG-SRVKXCTJSA-N 2 0 277.372 -0.109 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000581603533 336110407 /nfs/dbraw/zinc/11/04/07/336110407.db2.gz ZTTDOWCIDAXLON-ZIAGYGMSSA-N 2 0 293.415 -0.015 20 0 CBADRP CS(=O)(=O)NCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000581608498 336111662 /nfs/dbraw/zinc/11/16/62/336111662.db2.gz OWBSSZHIMQGYAL-RYUDHWBXSA-N 2 0 275.418 -0.143 20 0 CBADRP CC1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[NH2+]C1 ZINC000581665339 336120650 /nfs/dbraw/zinc/12/06/50/336120650.db2.gz HPFRBTKJZYLNOH-LLVKDONJSA-N 2 0 252.362 -0.898 20 0 CBADRP C[C@@H](NC(=O)C1(n2cccn2)CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000581667506 336125299 /nfs/dbraw/zinc/12/52/99/336125299.db2.gz CKGVSMZOUSKEBO-WDEREUQCSA-N 2 0 265.361 -0.186 20 0 CBADRP CC(C)[C@@H](CNC(=O)[C@H]1CC[NH2+]1)N1CC[NH+](C)CC1 ZINC000384754218 336130388 /nfs/dbraw/zinc/13/03/88/336130388.db2.gz QNIZBHXYAJTWLA-CHWSQXEVSA-N 2 0 268.405 -0.264 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)C[C@@H]1COCC[NH2+]1)C(F)(F)F ZINC000581879206 336157173 /nfs/dbraw/zinc/15/71/73/336157173.db2.gz XCOBLZDJCZVTIY-HTQZYQBOSA-N 2 0 269.267 -0.239 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000581941561 336173364 /nfs/dbraw/zinc/17/33/64/336173364.db2.gz QVLMMZAENITPPY-JQWIXIFHSA-N 2 0 282.388 -0.417 20 0 CBADRP O=C(CC1CC[NH2+]CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000582002663 336188975 /nfs/dbraw/zinc/18/89/75/336188975.db2.gz YYCALWXSBPHSBM-LBPRGKRZSA-N 2 0 255.362 -0.129 20 0 CBADRP CC(C)[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[NH+]1CCN(C)CC1 ZINC000050464554 519794735 /nfs/dbraw/zinc/79/47/35/519794735.db2.gz XTCXLRYDVMFAGN-FRRDWIJNSA-N 2 0 268.405 -0.278 20 0 CBADRP CC(C)[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221171349 519812288 /nfs/dbraw/zinc/81/22/88/519812288.db2.gz RKPRQKUQWFKUTE-QWHCGFSZSA-N 2 0 298.431 -0.066 20 0 CBADRP CC(C)[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[NH+]1CCN(C)CC1 ZINC000050464556 519815723 /nfs/dbraw/zinc/81/57/23/519815723.db2.gz XTCXLRYDVMFAGN-AGIUHOORSA-N 2 0 268.405 -0.278 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263053890 522441262 /nfs/dbraw/zinc/44/12/62/522441262.db2.gz UULRPNBOMDMBPE-SWLSCSKDSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+]1CCC(CCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000157224753 523760113 /nfs/dbraw/zinc/76/01/13/523760113.db2.gz GVRMKCNEYQZHAA-NWDGAFQWSA-N 2 0 255.362 -0.443 20 0 CBADRP CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221169549 523971129 /nfs/dbraw/zinc/97/11/29/523971129.db2.gz NEHCTNOJJOKYBD-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221176312 524161255 /nfs/dbraw/zinc/16/12/55/524161255.db2.gz SRHYEMINTYZBQQ-WDEREUQCSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H](CC[NH+](C)C)NS(=O)(=O)N1CC[NH2+]CC1 ZINC000049560542 524164000 /nfs/dbraw/zinc/16/40/00/524164000.db2.gz PWCQSRZERLOMFU-SNVBAGLBSA-N 2 0 264.395 -0.934 20 0 CBADRP CC[N@H+](CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000377525393 527898649 /nfs/dbraw/zinc/89/86/49/527898649.db2.gz PECDMRKMEZSQIS-CQSZACIVSA-N 2 0 280.416 -0.023 20 0 CBADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000377807022 528814249 /nfs/dbraw/zinc/81/42/49/528814249.db2.gz MPSUOIKXPIZJBG-KBPBESRZSA-N 2 0 282.432 -0.016 20 0 CBADRP CCN(C)C(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000356961081 535716358 /nfs/dbraw/zinc/71/63/58/535716358.db2.gz RFHSVNYMEZCSAI-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP CC[C@H]1CN(CCOCC[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000357077967 536150929 /nfs/dbraw/zinc/15/09/29/536150929.db2.gz JOPUVZVYDIVBGN-OLZOCXBDSA-N 2 0 259.394 -0.261 20 0 CBADRP CN(CCCn1ccnc1)CN1C(=O)C(=O)N(C)C1=O ZINC000130576402 582123394 /nfs/dbraw/zinc/12/33/94/582123394.db2.gz IBQWOGGUTYCUCT-UHFFFAOYSA-N 2 0 279.300 -0.417 20 0 CBADRP C[NH+]1CCN(CCNC(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000137300385 582126105 /nfs/dbraw/zinc/12/61/05/582126105.db2.gz ZRAKEOILFPRSDY-GFCCVEGCSA-N 2 0 254.378 -0.523 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000225336514 582129343 /nfs/dbraw/zinc/12/93/43/582129343.db2.gz YSGBRRRCNODYAZ-UONOGXRCSA-N 2 0 270.421 -0.722 20 0 CBADRP C[NH+](C)CCOCCNC(=O)COC1(C)C[NH2+]C1 ZINC000234261580 582129966 /nfs/dbraw/zinc/12/99/66/582129966.db2.gz OVXPWRJYQLXMBV-UHFFFAOYSA-N 2 0 259.350 -0.941 20 0 CBADRP COCC[N@H+](C)CCNC(=S)NCCC[NH+](C)C ZINC000726907398 582139445 /nfs/dbraw/zinc/13/94/45/582139445.db2.gz IYARUJUIVSCVRL-UHFFFAOYSA-N 2 0 276.450 -0.020 20 0 CBADRP C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000729929948 582148417 /nfs/dbraw/zinc/14/84/17/582148417.db2.gz FEPIPHYNWLYBGA-KBPBESRZSA-N 2 0 271.405 -0.559 20 0 CBADRP O[C@@H](CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C[NH+]1CCCC1 ZINC000732871544 582161235 /nfs/dbraw/zinc/16/12/35/582161235.db2.gz JZITVLMVJBDFBB-OWCLPIDISA-N 2 0 297.443 -0.026 20 0 CBADRP C[C@H](C(N)=O)[NH+](C)CCCC[N@@H+](C)[C@H](C)C(N)=O ZINC000735672373 582187345 /nfs/dbraw/zinc/18/73/45/582187345.db2.gz PETZVIUIXWLHPV-NXEZZACHSA-N 2 0 258.366 -0.622 20 0 CBADRP O=C(NCC[NH+]1CCC1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000752666709 582295439 /nfs/dbraw/zinc/29/54/39/582295439.db2.gz IWDMVSYMUOSEII-CHWSQXEVSA-N 2 0 282.388 -0.146 20 0 CBADRP CNC(=O)CCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000753208480 582296508 /nfs/dbraw/zinc/29/65/08/582296508.db2.gz UMDXZMKHOOVJOS-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP NC(=O)C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000754498527 582299525 /nfs/dbraw/zinc/29/95/25/582299525.db2.gz LQGPGWUIOUGNBG-UONOGXRCSA-N 2 0 299.415 -0.297 20 0 CBADRP CC[N@H+](CCO)CCNC(=S)NC1CC[NH+](C)CC1 ZINC000768784101 582334675 /nfs/dbraw/zinc/33/46/75/582334675.db2.gz HNKPTVDBTCVMEE-UHFFFAOYSA-N 2 0 288.461 -0.141 20 0 CBADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CC[N@@H+]1CCO ZINC000778350770 582358642 /nfs/dbraw/zinc/35/86/42/582358642.db2.gz ITYGIBQIYFUTRX-KGLIPLIRSA-N 2 0 271.405 -0.559 20 0 CBADRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000783919016 582373043 /nfs/dbraw/zinc/37/30/43/582373043.db2.gz WSHLJMNXNLEOMV-UONOGXRCSA-N 2 0 280.416 -0.023 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000783919015 582373055 /nfs/dbraw/zinc/37/30/55/582373055.db2.gz WSHLJMNXNLEOMV-KGLIPLIRSA-N 2 0 280.416 -0.023 20 0 CBADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000788480039 582386233 /nfs/dbraw/zinc/38/62/33/582386233.db2.gz GNTVKGFUKSHSAC-GFCCVEGCSA-N 2 0 275.418 -0.048 20 0 CBADRP C[C@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)[NH+]1CCCCC1 ZINC000793704631 582398391 /nfs/dbraw/zinc/39/83/91/582398391.db2.gz YZRPLHGPWQJJGL-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@]1(C(N)=O)CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000796581448 582412034 /nfs/dbraw/zinc/41/20/34/582412034.db2.gz QGSCYFFHHIPUPY-DGCLKSJQSA-N 2 0 255.362 -0.360 20 0 CBADRP Cn1ncc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000807571201 582439931 /nfs/dbraw/zinc/43/99/31/582439931.db2.gz SDMGJXRDKZNRKV-UHFFFAOYSA-N 2 0 297.407 -0.550 20 0 CBADRP Cn1nncc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000809909256 582447259 /nfs/dbraw/zinc/44/72/59/582447259.db2.gz VGFUVSMGTSIZSM-UHFFFAOYSA-N 2 0 283.380 -0.228 20 0 CBADRP Cn1ncc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)n1 ZINC000815114981 582460724 /nfs/dbraw/zinc/46/07/24/582460724.db2.gz URYHHGZGKNBUIJ-UHFFFAOYSA-N 2 0 266.393 -0.069 20 0 CBADRP Cn1ncc(CN(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000816610814 582477823 /nfs/dbraw/zinc/47/78/23/582477823.db2.gz ZNHKHPZEXHVHHY-UHFFFAOYSA-N 2 0 254.382 -0.260 20 0 CBADRP C[NH+](C)C[C@H](CO)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000816619083 582478003 /nfs/dbraw/zinc/47/80/03/582478003.db2.gz SHHRXMWGWOYPLO-GFCCVEGCSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[NH2+]CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000818594358 582512434 /nfs/dbraw/zinc/51/24/34/582512434.db2.gz MISCJIKYPCPEIH-SECBINFHSA-N 2 0 282.310 -0.452 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818612094 582512832 /nfs/dbraw/zinc/51/28/32/582512832.db2.gz NSGHKQXWCVPJCN-YPMHNXCESA-N 2 0 253.346 -0.281 20 0 CBADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]CCS(C)(=O)=O)CC1 ZINC000819059113 582525587 /nfs/dbraw/zinc/52/55/87/582525587.db2.gz VKGPUELMPKYHFF-ZDUSSCGKSA-N 2 0 291.461 -0.106 20 0 CBADRP CCS(=O)(=O)CC[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000819058037 582525628 /nfs/dbraw/zinc/52/56/28/582525628.db2.gz CWOMBXNPCIFILA-CYBMUJFWSA-N 2 0 291.461 -0.106 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C2COC(C)(C)OC2)CC1 ZINC000819225828 582529418 /nfs/dbraw/zinc/52/94/18/582529418.db2.gz HOUCYBPODZBBBL-CYBMUJFWSA-N 2 0 287.404 -0.664 20 0 CBADRP CN(CC[N@H+](C)CCO)C(=O)COC1CC[NH+](C)CC1 ZINC000825526520 582738893 /nfs/dbraw/zinc/73/88/93/582738893.db2.gz IKZFCEPTEUZWOM-UHFFFAOYSA-N 2 0 287.404 -0.520 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000828956271 582878259 /nfs/dbraw/zinc/87/82/59/582878259.db2.gz LFLQEMUKESXJKC-NEPJUHHUSA-N 2 0 255.362 -0.049 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000829287017 582884865 /nfs/dbraw/zinc/88/48/65/582884865.db2.gz NOKYWPLWKSOWSK-CMPLNLGQSA-N 2 0 258.341 -0.950 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@]3(F)CC[NH2+]C3)CC2)C1 ZINC000829716117 582896004 /nfs/dbraw/zinc/89/60/04/582896004.db2.gz VQESVUOEVMMDIB-UKRRQHHQSA-N 2 0 298.406 -0.074 20 0 CBADRP C[N@H+](CCO)CCNC(=O)COC1CC[NH+](C)CC1 ZINC000829750249 582897822 /nfs/dbraw/zinc/89/78/22/582897822.db2.gz QFSMSNWFKQGUQW-UHFFFAOYSA-N 2 0 273.377 -0.863 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000830240016 582927544 /nfs/dbraw/zinc/92/75/44/582927544.db2.gz FVPATBZCZQHMCN-AWEZNQCLSA-N 2 0 286.395 -0.216 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000830240017 582927608 /nfs/dbraw/zinc/92/76/08/582927608.db2.gz FVPATBZCZQHMCN-CQSZACIVSA-N 2 0 286.395 -0.216 20 0 CBADRP O=C(N1CC[C@@H](C[NH+]2CCOCC2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000830545549 582934168 /nfs/dbraw/zinc/93/41/68/582934168.db2.gz IOGBRHQGYZTNEV-GXTWGEPZSA-N 2 0 285.363 -0.131 20 0 CBADRP [NH3+]CCCCCCNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000831172832 582962980 /nfs/dbraw/zinc/96/29/80/582962980.db2.gz MUDHOWVVXPUJRL-UHFFFAOYSA-N 2 0 285.392 -0.764 20 0 CBADRP [NH3+]CCCCCCNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000831292484 582974804 /nfs/dbraw/zinc/97/48/04/582974804.db2.gz ZKLAGQAHRWOMHF-NSHDSACASA-N 2 0 258.366 -0.125 20 0 CBADRP [NH3+][C@H](CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000831682540 582993773 /nfs/dbraw/zinc/99/37/73/582993773.db2.gz ABVCMIZXJHEXME-CHWSQXEVSA-N 2 0 266.389 -0.380 20 0 CBADRP O=C(N1CCN([C@@H]2CC[NH2+]C2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000831683660 582993799 /nfs/dbraw/zinc/99/37/99/582993799.db2.gz XUBQQBRMAVYYPQ-YPMHNXCESA-N 2 0 270.352 -0.806 20 0 CBADRP CCO[C@@H](CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)C[NH+](C)C ZINC000831707741 582996277 /nfs/dbraw/zinc/99/62/77/582996277.db2.gz LDYWYHBDKWZNBU-KBPBESRZSA-N 2 0 299.415 -0.210 20 0 CBADRP CCO[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C[NH+](C)C ZINC000831737119 582999781 /nfs/dbraw/zinc/99/97/81/582999781.db2.gz CPYCBASAEAFCAE-KGLIPLIRSA-N 2 0 298.431 -0.541 20 0 CBADRP CCO[C@@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C[NH+](C)C ZINC000831737120 582999813 /nfs/dbraw/zinc/99/98/13/582999813.db2.gz CPYCBASAEAFCAE-UONOGXRCSA-N 2 0 298.431 -0.541 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000831822643 583004113 /nfs/dbraw/zinc/00/41/13/583004113.db2.gz JYSARUDFPUBLCT-ZDUSSCGKSA-N 2 0 268.405 -0.133 20 0 CBADRP [NH3+][C@@H](CC(=O)NCC[N@@H+]1CCCOCC1)C1CC1 ZINC000832002585 583010073 /nfs/dbraw/zinc/01/00/73/583010073.db2.gz PUYXZMCANCHBRX-LBPRGKRZSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@H](CCC[NH3+])NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000834813741 583136934 /nfs/dbraw/zinc/13/69/34/583136934.db2.gz VTVOIUNNOCVPHV-MRVPVSSYSA-N 2 0 251.334 -0.087 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)c1[nH]nc2c1C[NH2+]CC2 ZINC000834862680 583138001 /nfs/dbraw/zinc/13/80/01/583138001.db2.gz WEFINRFRYDTBRH-SECBINFHSA-N 2 0 279.344 -0.836 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000841790823 583174339 /nfs/dbraw/zinc/17/43/39/583174339.db2.gz KSGOXHPYIKRGJG-RWMBFGLXSA-N 2 0 282.388 -0.099 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@H]1CCC[NH2+]C1 ZINC000841790759 583174456 /nfs/dbraw/zinc/17/44/56/583174456.db2.gz JDIBMNFFJJBZMD-RWMBFGLXSA-N 2 0 282.388 -0.099 20 0 CBADRP C[C@@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000841854706 583175163 /nfs/dbraw/zinc/17/51/63/583175163.db2.gz GJYMTPMDRQDKQY-IJLUTSLNSA-N 2 0 255.362 -0.036 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N(CC[NH3+])CCO ZINC000841857380 583175343 /nfs/dbraw/zinc/17/53/43/583175343.db2.gz XHLNKVDJEYQABW-LBPRGKRZSA-N 2 0 272.393 -0.177 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[NH+]1CCCCC1 ZINC000842014689 583177738 /nfs/dbraw/zinc/17/77/38/583177738.db2.gz DRNYSLTVLUYMAZ-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000842014290 583177780 /nfs/dbraw/zinc/17/77/80/583177780.db2.gz BTARHBCISALHNN-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[NH+]1CCCCC1 ZINC000842016914 583177982 /nfs/dbraw/zinc/17/79/82/583177982.db2.gz ZNZLGMSLSUUCQB-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)[NH+]1CCCCC1 ZINC000842016534 583178062 /nfs/dbraw/zinc/17/80/62/583178062.db2.gz WUPVNURUEWVDEQ-SNVBAGLBSA-N 2 0 268.361 -0.935 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000842015575 583178127 /nfs/dbraw/zinc/17/81/27/583178127.db2.gz LYZRUVYYQJQWQS-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)[NH+]1CCCCC1 ZINC000842016530 583178234 /nfs/dbraw/zinc/17/82/34/583178234.db2.gz WUPVNURUEWVDEQ-JTQLQIEISA-N 2 0 268.361 -0.935 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C)[NH3+])C(C)C ZINC000842229057 583181802 /nfs/dbraw/zinc/18/18/02/583181802.db2.gz HQIQHNIUQDILBF-SNVBAGLBSA-N 2 0 258.366 -0.704 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H](C)C[NH3+])C1 ZINC000842255029 583182176 /nfs/dbraw/zinc/18/21/76/583182176.db2.gz QKPVTWXQODNVND-QWRGUYRKSA-N 2 0 270.377 -0.561 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842512268 583184720 /nfs/dbraw/zinc/18/47/20/583184720.db2.gz JEYZBQLTYYWOMO-WFASDCNBSA-N 2 0 294.399 -0.401 20 0 CBADRP CC(C)C[C@@H](O)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000843067983 583199608 /nfs/dbraw/zinc/19/96/08/583199608.db2.gz CYJDPXSTHPBLGB-ZIAGYGMSSA-N 2 0 273.421 -0.409 20 0 CBADRP C[NH2+][C@@H](C(=O)N(C)CCN1CC[NH2+]CC1)c1cnn(C)c1 ZINC000843337821 583210046 /nfs/dbraw/zinc/21/00/46/583210046.db2.gz BNFBWKZHJNVUIO-CYBMUJFWSA-N 2 0 294.403 -0.956 20 0 CBADRP C[C@@](C[NH3+])(NC(=O)CO[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000843344183 583210723 /nfs/dbraw/zinc/21/07/23/583210723.db2.gz TVYGIDAESWKSAV-YPMHNXCESA-N 2 0 255.362 -0.001 20 0 CBADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H]1CCCCNC1=O ZINC000843358813 583212602 /nfs/dbraw/zinc/21/26/02/583212602.db2.gz RTDXQQLNMADYNJ-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP O=C1OCC[C@@H]1N1CCC[C@H](N2CCNCC2=O)C1 ZINC000843369821 583213058 /nfs/dbraw/zinc/21/30/58/583213058.db2.gz VPVLZHUBOKYPBX-QWRGUYRKSA-N 2 0 267.329 -0.802 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843475543 583225327 /nfs/dbraw/zinc/22/53/27/583225327.db2.gz ATPVYPRGQBEMAE-UONOGXRCSA-N 2 0 296.415 -0.739 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H](C)[NH2+]C1CC1 ZINC000843480425 583226320 /nfs/dbraw/zinc/22/63/20/583226320.db2.gz WVWWYQXAZNXSKD-GXSJLCMTSA-N 2 0 269.345 -0.510 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000843489436 583227891 /nfs/dbraw/zinc/22/78/91/583227891.db2.gz OFANLNRBOYIRAT-LBPRGKRZSA-N 2 0 261.341 -0.275 20 0 CBADRP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1C[NH2+]CCO1 ZINC000844171761 583256768 /nfs/dbraw/zinc/25/67/68/583256768.db2.gz SDSXLUZIQVFASP-ZIAGYGMSSA-N 2 0 297.399 -0.266 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000844181279 583258425 /nfs/dbraw/zinc/25/84/25/583258425.db2.gz WYNYVKGFQBZHGF-OBPIAQAESA-N 2 0 265.357 -0.569 20 0 CBADRP COCC[N@H+](C)CCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844182604 583259017 /nfs/dbraw/zinc/25/90/17/583259017.db2.gz UGDLCASCYRUUJQ-GFCCVEGCSA-N 2 0 273.377 -0.551 20 0 CBADRP CC[NH2+]CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000844187186 583259558 /nfs/dbraw/zinc/25/95/58/583259558.db2.gz GEBRPLQATOWPAA-ZDUSSCGKSA-N 2 0 284.404 -0.881 20 0 CBADRP CC[NH2+]CC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000844192052 583259879 /nfs/dbraw/zinc/25/98/79/583259879.db2.gz GCCPDABEBRGREL-GFCCVEGCSA-N 2 0 256.394 -0.404 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846674477 583382189 /nfs/dbraw/zinc/38/21/89/583382189.db2.gz YZBMLYSFEJYXCR-XPCVCDNBSA-N 2 0 295.383 -0.798 20 0 CBADRP C[NH+](C)CCONC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000848160287 583434865 /nfs/dbraw/zinc/43/48/65/583434865.db2.gz SAAUZFGXWAKXCN-UHFFFAOYSA-N 2 0 269.349 -0.332 20 0 CBADRP CN1CCC[NH+]=C1NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000849000233 583465884 /nfs/dbraw/zinc/46/58/84/583465884.db2.gz KGRBVHBCZDWWQI-LBPRGKRZSA-N 2 0 281.404 -0.145 20 0 CBADRP COCCNC(=[NH2+])NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000848999346 583466033 /nfs/dbraw/zinc/46/60/33/583466033.db2.gz XSFMLFYENHXHDZ-NSHDSACASA-N 2 0 285.392 -0.666 20 0 CBADRP CCOCCCNC(=[NH2+])NC[C@@H]1C[N@H+](C)CCN1C ZINC000849007977 583467312 /nfs/dbraw/zinc/46/73/12/583467312.db2.gz JRAFIHMFPCQIGL-GFCCVEGCSA-N 2 0 271.409 -0.227 20 0 CBADRP COC[C@@H](C)NC(=[NH2+])NC[C@H]1C[N@H+](C)CCN1C ZINC000849008022 583467404 /nfs/dbraw/zinc/46/74/04/583467404.db2.gz MACVIOVGMKKKBJ-MNOVXSKESA-N 2 0 257.382 -0.619 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[NH+](C)CCN1C ZINC000849008015 583467419 /nfs/dbraw/zinc/46/74/19/583467419.db2.gz LRJZGMOZWLQRMF-ZIAGYGMSSA-N 3 0 296.463 -0.170 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1C[NH+](C)CCN1C ZINC000849008014 583467474 /nfs/dbraw/zinc/46/74/74/583467474.db2.gz LRJZGMOZWLQRMF-UONOGXRCSA-N 3 0 296.463 -0.170 20 0 CBADRP COCCNC(=[NH2+])NCCCN(C)CC[NH+](C)C ZINC000849028283 583469568 /nfs/dbraw/zinc/46/95/68/583469568.db2.gz OOAYRXWQCDSLJR-UHFFFAOYSA-N 2 0 259.398 -0.370 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)Cn1ccnn1 ZINC000849041098 583471016 /nfs/dbraw/zinc/47/10/16/583471016.db2.gz KCOHRHVVZKFSDW-VXGBXAGGSA-N 2 0 295.391 -0.763 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CNC(=O)C1 ZINC000849041473 583471354 /nfs/dbraw/zinc/47/13/54/583471354.db2.gz GMXSGOBONMJEEO-MNOVXSKESA-N 2 0 267.377 -0.279 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000851656433 583518267 /nfs/dbraw/zinc/51/82/67/583518267.db2.gz LCTUZZQFZVWCTC-QJPTWQEYSA-N 2 0 270.377 -0.243 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000851668161 583519346 /nfs/dbraw/zinc/51/93/46/583519346.db2.gz RYOOYVPOSAXODH-HTQZYQBOSA-N 2 0 250.293 -0.109 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000851687287 583521474 /nfs/dbraw/zinc/52/14/74/583521474.db2.gz PTIDIDRLQZYHTM-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000851690495 583522249 /nfs/dbraw/zinc/52/22/49/583522249.db2.gz DIIGWCSVBSDQGS-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP O[C@H](CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C[NH+]1CCCC1 ZINC000852710294 583550828 /nfs/dbraw/zinc/55/08/28/583550828.db2.gz NGVVGWNXYXCUIH-CVEARBPZSA-N 2 0 297.443 -0.026 20 0 CBADRP C[NH+](C)CCC[C@H]1CN([C@H]2CCC(=O)NC2=O)CCO1 ZINC000852761753 583552239 /nfs/dbraw/zinc/55/22/39/583552239.db2.gz ZSEOBXPZCWWNLU-RYUDHWBXSA-N 2 0 283.372 -0.166 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852790054 583552699 /nfs/dbraw/zinc/55/26/99/583552699.db2.gz NRRFLRZYARSVFR-ZJUUUORDSA-N 2 0 254.334 -0.452 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NCCC[NH2+]Cc2cccnc2)=NO1 ZINC000852792801 583552708 /nfs/dbraw/zinc/55/27/08/583552708.db2.gz CZXQXFUOQUXQHJ-LBPRGKRZSA-N 2 0 291.355 -0.219 20 0 CBADRP C[C@H](NC(=O)C1=NO[C@H](C[NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000852794877 583553032 /nfs/dbraw/zinc/55/30/32/583553032.db2.gz SVGOFAICTXTCOB-AEJSXWLSSA-N 2 0 254.334 -0.406 20 0 CBADRP CCCN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@@H]1CC[NH2+]C1 ZINC000852796746 583553041 /nfs/dbraw/zinc/55/30/41/583553041.db2.gz WZEDJQZTMXIAMJ-ZJUUUORDSA-N 2 0 254.334 -0.310 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C=C2CC[NH2+]CC2)CCO1 ZINC000852799072 583553332 /nfs/dbraw/zinc/55/33/32/583553332.db2.gz CUPKHAQTVSNGGQ-CMPLNLGQSA-N 2 0 253.346 -0.129 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)C[C@H](C)[NH2+]1 ZINC000852824684 583556488 /nfs/dbraw/zinc/55/64/88/583556488.db2.gz DWVJZXZTNPBJRH-TUAOUCFPSA-N 2 0 267.373 -0.036 20 0 CBADRP CC[NH2+]CCCNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC000852825686 583556889 /nfs/dbraw/zinc/55/68/89/583556889.db2.gz NQQCZRLBSZORDH-LLVKDONJSA-N 2 0 255.362 -0.129 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000852846909 583559883 /nfs/dbraw/zinc/55/98/83/583559883.db2.gz LMMIBXVJFQMMSX-ZDUSSCGKSA-N 2 0 274.384 -0.312 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NC2CC[NH+](C3CC3)CC2)=NO1 ZINC000852857246 583561737 /nfs/dbraw/zinc/56/17/37/583561737.db2.gz NBYPVIUXGNCQPC-NSHDSACASA-N 2 0 266.345 -0.167 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)=NO1 ZINC000852859317 583562057 /nfs/dbraw/zinc/56/20/57/583562057.db2.gz RMCQVMPKXMNIKC-AXFHLTTASA-N 2 0 266.345 -0.167 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)C1CC1 ZINC000852860373 583562434 /nfs/dbraw/zinc/56/24/34/583562434.db2.gz DBSFIXQWGFJVBR-KOLCDFICSA-N 2 0 254.334 -0.454 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)=NO1 ZINC000852860604 583562535 /nfs/dbraw/zinc/56/25/35/583562535.db2.gz SRGWYTPRRDLZSY-HOSYDEDBSA-N 2 0 266.345 -0.167 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852861784 583562915 /nfs/dbraw/zinc/56/29/15/583562915.db2.gz JPDWONYSXHDOIV-ZJUUUORDSA-N 2 0 256.350 -0.064 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)=NO1 ZINC000852863120 583563320 /nfs/dbraw/zinc/56/33/20/583563320.db2.gz QPLCMYYMZFSRKK-WCBMZHEXSA-N 2 0 252.318 -0.557 20 0 CBADRP C[NH+]1CCC(CNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852863391 583563336 /nfs/dbraw/zinc/56/33/36/583563336.db2.gz MZFOFQARQMFGRL-SNVBAGLBSA-N 2 0 254.334 -0.452 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000852864296 583563663 /nfs/dbraw/zinc/56/36/63/583563663.db2.gz RJOGELXTWSXJRT-NDBYEHHHSA-N 2 0 283.372 -0.670 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)C2=NO[C@H](C[NH3+])C2)n1 ZINC000852864501 583563749 /nfs/dbraw/zinc/56/37/49/583563749.db2.gz XVPNYHBFMZHOIT-VIFPVBQESA-N 2 0 280.332 -0.513 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)=NO1 ZINC000852865407 583563941 /nfs/dbraw/zinc/56/39/41/583563941.db2.gz BPXQQEQGZRULBK-WCFLWFBJSA-N 2 0 296.371 -0.852 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)=NO1 ZINC000852865621 583564148 /nfs/dbraw/zinc/56/41/48/583564148.db2.gz JZUCHMBUROYGQY-QWRGUYRKSA-N 2 0 266.345 -0.310 20 0 CBADRP CN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000852865418 583564154 /nfs/dbraw/zinc/56/41/54/583564154.db2.gz BVAVKELATLHRIE-WDEREUQCSA-N 2 0 266.345 -0.215 20 0 CBADRP CN(C(=O)C1(O)C[NH2+]C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000852865772 583564175 /nfs/dbraw/zinc/56/41/75/583564175.db2.gz OPTZRSJIFUKMGR-UHFFFAOYSA-N 2 0 293.367 -0.076 20 0 CBADRP C[C@@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)C[NH+]1CCN(C)CC1 ZINC000852873122 583565501 /nfs/dbraw/zinc/56/55/01/583565501.db2.gz PNFNGXIJWBWYBA-NWDGAFQWSA-N 2 0 297.403 -0.910 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852878013 583566330 /nfs/dbraw/zinc/56/63/30/583566330.db2.gz LFWWCZIDONQVFG-XHNCKOQMSA-N 2 0 258.297 -0.752 20 0 CBADRP CC[C@@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)CC[C@H]1[NH3+] ZINC000852879209 583566449 /nfs/dbraw/zinc/56/64/49/583566449.db2.gz RUAKIDOWIPKAGM-KXUCPTDWSA-N 2 0 254.334 -0.324 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852879796 583566900 /nfs/dbraw/zinc/56/69/00/583566900.db2.gz ZMWVDNKHNWMBCY-UWVGGRQHSA-N 2 0 254.334 -0.323 20 0 CBADRP [NH3+]CC[C@@H]1CCCCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852881689 583567116 /nfs/dbraw/zinc/56/71/16/583567116.db2.gz ZOOQMARDQBJXJB-VHSXEESVSA-N 2 0 254.334 -0.180 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000852881543 583567163 /nfs/dbraw/zinc/56/71/63/583567163.db2.gz MHOLHWTUKHECKS-XHNCKOQMSA-N 2 0 263.288 -0.536 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)=NO1 ZINC000852882647 583567455 /nfs/dbraw/zinc/56/74/55/583567455.db2.gz NRPIFXJMUYTREE-WOPDTQHZSA-N 2 0 280.372 -0.062 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852883625 583567764 /nfs/dbraw/zinc/56/77/64/583567764.db2.gz LVXUXZHZGJYPNR-LLVKDONJSA-N 2 0 284.360 -0.729 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852884553 583568066 /nfs/dbraw/zinc/56/80/66/583568066.db2.gz HRVWOFKGEPKQAJ-LBPRGKRZSA-N 2 0 297.403 -0.814 20 0 CBADRP C[NH+](C)C[C@H]1CCCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852886175 583568780 /nfs/dbraw/zinc/56/87/80/583568780.db2.gz YTYPYVJCMWWFSE-NXEZZACHSA-N 2 0 254.334 -0.357 20 0 CBADRP [NH3+]C[C@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)C1CCCC1 ZINC000852889519 583569743 /nfs/dbraw/zinc/56/97/43/583569743.db2.gz FGWCRAUEBZKPIV-KOLCDFICSA-N 2 0 254.334 -0.276 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)=NO1 ZINC000852892320 583570319 /nfs/dbraw/zinc/57/03/19/583570319.db2.gz DKRFBTXVDOKPEH-VHSXEESVSA-N 2 0 266.345 -0.119 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CC[NH2+]C23CCCC3)=NO1 ZINC000852893778 583570664 /nfs/dbraw/zinc/57/06/64/583570664.db2.gz JUTSAHIHACYSEF-ONGXEEELSA-N 2 0 266.345 -0.119 20 0 CBADRP [NH3+]CCC1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852896237 583571257 /nfs/dbraw/zinc/57/12/57/583571257.db2.gz WAMSIQDKIWVTNV-SNVBAGLBSA-N 2 0 254.334 -0.323 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@]1(F)CC[NH2+]C1 ZINC000852914476 583574021 /nfs/dbraw/zinc/57/40/21/583574021.db2.gz XWGVIXUPCJXRBI-DGCLKSJQSA-N 2 0 270.352 -0.806 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@]1(F)CC[NH2+]C1 ZINC000852914478 583574077 /nfs/dbraw/zinc/57/40/77/583574077.db2.gz XWGVIXUPCJXRBI-YPMHNXCESA-N 2 0 270.352 -0.806 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@]1(F)CC[NH2+]C1 ZINC000852914475 583574190 /nfs/dbraw/zinc/57/41/90/583574190.db2.gz XWGVIXUPCJXRBI-AAEUAGOBSA-N 2 0 270.352 -0.806 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000857107237 583664978 /nfs/dbraw/zinc/66/49/78/583664978.db2.gz PIQIFALQQLZMIK-NSHDSACASA-N 2 0 287.408 -0.615 20 0 CBADRP COCCN1CCN(C(=O)NCC[C@H](C)[NH3+])CC1 ZINC000857113769 583665690 /nfs/dbraw/zinc/66/56/90/583665690.db2.gz HVBJTTNOIVVNIR-NSHDSACASA-N 2 0 258.366 -0.303 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N(C)CCN1CCOCC1 ZINC000857113196 583665770 /nfs/dbraw/zinc/66/57/70/583665770.db2.gz PKJDOEDBWSUJPU-NSHDSACASA-N 2 0 258.366 -0.303 20 0 CBADRP [NH3+]CCc1ccc(CNC(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000861638835 583773954 /nfs/dbraw/zinc/77/39/54/583773954.db2.gz MGESUJSTDVYEJF-CQSZACIVSA-N 2 0 292.383 -0.025 20 0 CBADRP [NH3+]CCCCCCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000861648610 583775866 /nfs/dbraw/zinc/77/58/66/583775866.db2.gz YGWUTYCDBIQRAJ-LBPRGKRZSA-N 2 0 272.393 -0.129 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000861677378 583777096 /nfs/dbraw/zinc/77/70/96/583777096.db2.gz SOZQBIQAISWIKV-MNOVXSKESA-N 2 0 256.350 -0.774 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N1CCC2(C1)CC[NH2+]CC2 ZINC000861687235 583777885 /nfs/dbraw/zinc/77/78/85/583777885.db2.gz KPGVVHAFOZKCIW-LBPRGKRZSA-N 2 0 282.388 -0.240 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000861693049 583778152 /nfs/dbraw/zinc/77/81/52/583778152.db2.gz OILPUDYOPIYXGA-NSHDSACASA-N 2 0 258.366 -0.268 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861732479 583782239 /nfs/dbraw/zinc/78/22/39/583782239.db2.gz ZYYQJCRKKUBFDY-WDEREUQCSA-N 2 0 272.393 -0.362 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000861740785 583782646 /nfs/dbraw/zinc/78/26/46/583782646.db2.gz VNISEAGIIXBYPZ-VIFPVBQESA-N 2 0 256.350 -0.998 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000861738183 583782729 /nfs/dbraw/zinc/78/27/29/583782729.db2.gz YJQXMCNCGZDDBQ-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000861753203 583784230 /nfs/dbraw/zinc/78/42/30/583784230.db2.gz VEGTXKJRNMVEOT-DCAQKATOSA-N 2 0 282.388 -0.467 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000861756643 583784538 /nfs/dbraw/zinc/78/45/38/583784538.db2.gz FMEQHWTYRSFWHZ-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000861763230 583785100 /nfs/dbraw/zinc/78/51/00/583785100.db2.gz MGEKIAYFUYGOKH-ZJUUUORDSA-N 2 0 270.377 -0.609 20 0 CBADRP C[C@@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])C(C)(C)C[NH+](C)C ZINC000861761185 583785112 /nfs/dbraw/zinc/78/51/12/583785112.db2.gz YLLOBXQMYINRER-WDEREUQCSA-N 2 0 286.420 -0.116 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000861763402 583785168 /nfs/dbraw/zinc/78/51/68/583785168.db2.gz WLKZPRAPHSZAGD-LLVKDONJSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000861765245 583785369 /nfs/dbraw/zinc/78/53/69/583785369.db2.gz OZMRPULKKVNDMA-CMPLNLGQSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000861767047 583785387 /nfs/dbraw/zinc/78/53/87/583785387.db2.gz MPQYIBFLBXJJQX-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861772219 583785648 /nfs/dbraw/zinc/78/56/48/583785648.db2.gz RUQQVNNAIGPLJL-WDEREUQCSA-N 2 0 272.393 -0.362 20 0 CBADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000863548228 583846140 /nfs/dbraw/zinc/84/61/40/583846140.db2.gz VYAVICJISCFBSI-GHMZBOCLSA-N 2 0 259.350 -0.765 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000863751374 583852530 /nfs/dbraw/zinc/85/25/30/583852530.db2.gz HORTZERQCKRNFC-NSHDSACASA-N 2 0 270.377 -0.654 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000863751326 583852537 /nfs/dbraw/zinc/85/25/37/583852537.db2.gz GWBUENSQVOLCPX-JTQLQIEISA-N 2 0 258.366 -0.798 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000863753895 583852793 /nfs/dbraw/zinc/85/27/93/583852793.db2.gz KQUFAKFAJKWNSM-LLVKDONJSA-N 2 0 270.377 -0.654 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000863755193 583853228 /nfs/dbraw/zinc/85/32/28/583853228.db2.gz LDSAXOCTGMIRST-PWSUYJOCSA-N 2 0 282.388 -0.513 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000863768404 583855196 /nfs/dbraw/zinc/85/51/96/583855196.db2.gz OJZKDUIPBMBNLY-RWMBFGLXSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000863767100 583855226 /nfs/dbraw/zinc/85/52/26/583855226.db2.gz JMGSOSICHOVFAJ-SNVBAGLBSA-N 2 0 270.377 -0.655 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000863769562 583855682 /nfs/dbraw/zinc/85/56/82/583855682.db2.gz LFZYVCFOQDYKGD-MNOVXSKESA-N 2 0 270.377 -0.655 20 0 CBADRP CN1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C(C)(C)C1=O ZINC000864096509 583873919 /nfs/dbraw/zinc/87/39/19/583873919.db2.gz BQMIXCGMENFYCP-NSHDSACASA-N 2 0 267.373 -0.083 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]C[C@@]23COCCN2C(=O)COC3)CC[N@@H+]1C ZINC000866554164 583924069 /nfs/dbraw/zinc/92/40/69/583924069.db2.gz GAZPJVIPFBMPAU-IPYPFGDCSA-N 2 0 297.399 -0.314 20 0 CBADRP Cn1nnnc1CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000866661210 583926255 /nfs/dbraw/zinc/92/62/55/583926255.db2.gz QFIKGPYJUSCNME-AXFHLTTASA-N 2 0 250.350 -0.188 20 0 CBADRP CNC(=O)NC[C@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000866685766 583927154 /nfs/dbraw/zinc/92/71/54/583927154.db2.gz XHQFWNSEVHQTAZ-CYBMUJFWSA-N 2 0 283.420 -0.325 20 0 CBADRP CN1C(=O)[C@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)C[C@H]2C1=O ZINC000866702044 583927709 /nfs/dbraw/zinc/92/77/09/583927709.db2.gz SQPKLEXRNZAEID-MXWKQRLJSA-N 2 0 251.330 -0.467 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC000866708162 583927869 /nfs/dbraw/zinc/92/78/69/583927869.db2.gz DCDWEKNLFHJSSB-FVCCEPFGSA-N 2 0 281.356 -0.110 20 0 CBADRP COC[C@H](C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)OC ZINC000866711048 583928058 /nfs/dbraw/zinc/92/80/58/583928058.db2.gz AOAPJIFRUFRUSB-XQHKEYJVSA-N 2 0 299.371 -0.485 20 0 CBADRP COCCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711288 583928084 /nfs/dbraw/zinc/92/80/84/583928084.db2.gz HBHQGRXCYDYOSF-UTUOFQBUSA-N 2 0 269.345 -0.110 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000866711468 583928094 /nfs/dbraw/zinc/92/80/94/583928094.db2.gz LIUCQOIXWBJLGE-RFQIPJPRSA-N 3 0 294.399 -0.147 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000866711469 583928175 /nfs/dbraw/zinc/92/81/75/583928175.db2.gz LIUCQOIXWBJLGE-XDQVBPFNSA-N 3 0 294.399 -0.147 20 0 CBADRP O=C1NCCO[C@H]2CCC[N@H+](CC3CC[NH2+]CC3)[C@@H]12 ZINC000866717463 583928710 /nfs/dbraw/zinc/92/87/10/583928710.db2.gz GFDSAXLPKUVQQE-QWHCGFSZSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000866765693 583931586 /nfs/dbraw/zinc/93/15/86/583931586.db2.gz YZCIEFQTXSXBMQ-NWDGAFQWSA-N 2 0 291.417 -0.492 20 0 CBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@@H]1CCCC[NH2+]C1 ZINC000866767396 583931770 /nfs/dbraw/zinc/93/17/70/583931770.db2.gz AJQGUJSCHIRYEX-GHMZBOCLSA-N 2 0 277.390 -0.964 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000866767751 583931774 /nfs/dbraw/zinc/93/17/74/583931774.db2.gz GHYVTRCHSZPGGU-ZJUUUORDSA-N 2 0 279.406 -0.732 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC[C@@H]21 ZINC000868386796 583976622 /nfs/dbraw/zinc/97/66/22/583976622.db2.gz JDDUBWURVFHSTM-UPJWGTAASA-N 2 0 294.399 -0.511 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC[NH2+]1 ZINC000868389228 583976924 /nfs/dbraw/zinc/97/69/24/583976924.db2.gz NZZQZHDQEQXGFM-JHJVBQTASA-N 2 0 294.399 -0.641 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C[C@H]1[NH3+] ZINC000868390576 583977064 /nfs/dbraw/zinc/97/70/64/583977064.db2.gz MRJISWLZUSOCMM-YVECIDJPSA-N 2 0 294.399 -0.655 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868395140 583977379 /nfs/dbraw/zinc/97/73/79/583977379.db2.gz HBDOOLURMLLEIX-VXGBXAGGSA-N 2 0 282.388 -0.654 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868396187 583977387 /nfs/dbraw/zinc/97/73/87/583977387.db2.gz ILODLKNNKDVRPC-QJPTWQEYSA-N 2 0 282.388 -0.655 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868396189 583977430 /nfs/dbraw/zinc/97/74/30/583977430.db2.gz ILODLKNNKDVRPC-SRVKXCTJSA-N 2 0 282.388 -0.655 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000868403956 583977790 /nfs/dbraw/zinc/97/77/90/583977790.db2.gz BLXXMCIBANNFCY-UHFFFAOYSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)CC[NH2+]1 ZINC000868405503 583977919 /nfs/dbraw/zinc/97/79/19/583977919.db2.gz IYXLVTQKEVAAEA-GFCCVEGCSA-N 2 0 296.415 -0.251 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCC1(C)C ZINC000868405765 583977936 /nfs/dbraw/zinc/97/79/36/583977936.db2.gz KFRPTUSPTGDGEP-RYUDHWBXSA-N 2 0 294.399 -0.498 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868411667 583978312 /nfs/dbraw/zinc/97/83/12/583978312.db2.gz ZRJTZFXLASSAHG-NWDGAFQWSA-N 2 0 296.415 -0.265 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000870927342 584021649 /nfs/dbraw/zinc/02/16/49/584021649.db2.gz QKEUQBIISXVFKB-OUCADQQQSA-N 2 0 267.373 -0.048 20 0 CBADRP O=C(CCC12CC(C1)C[NH2+]2)NCC(=O)N1CC[NH2+]CC1 ZINC000870933470 584021743 /nfs/dbraw/zinc/02/17/43/584021743.db2.gz ZIRGNEBPEUBNJD-UHFFFAOYSA-N 2 0 280.372 -0.933 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CC[NH2+]CC2CC2)C1 ZINC000870935490 584022010 /nfs/dbraw/zinc/02/20/10/584022010.db2.gz YFDFPLMXHXBWOE-ZDUSSCGKSA-N 2 0 296.415 -0.310 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)CC[NH2+]CC2CC2)CCO1 ZINC000870938285 584022055 /nfs/dbraw/zinc/02/20/55/584022055.db2.gz KBQHMPCELSQBCV-ZYHUDNBSSA-N 2 0 255.362 -0.049 20 0 CBADRP CN1CCN(C(=O)CC[NH2+]CC2CC2)[C@H](C[NH3+])C1 ZINC000870938913 584022341 /nfs/dbraw/zinc/02/23/41/584022341.db2.gz WHGLBWNZJQOXTO-GFCCVEGCSA-N 2 0 254.378 -0.523 20 0 CBADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@]12C[NH2+]C[C@H]1COC2 ZINC000870973161 584023682 /nfs/dbraw/zinc/02/36/82/584023682.db2.gz LHQMNPHCHKHZDG-AIUMHDJVSA-N 2 0 279.384 -0.131 20 0 CBADRP C[C@@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000870984175 584024415 /nfs/dbraw/zinc/02/44/15/584024415.db2.gz IRQLVSOCIRTLML-DGCLKSJQSA-N 2 0 296.415 -0.251 20 0 CBADRP COCCN(C)C(=[NH2+])NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000871603940 584043328 /nfs/dbraw/zinc/04/33/28/584043328.db2.gz NBWNZHKGPNVXDL-GFCCVEGCSA-N 2 0 299.419 -0.324 20 0 CBADRP C[C@@H](C[NH2+]C[C@H](O)CC(C)(C)O)CN1CC[NH+](C)CC1 ZINC000872201803 584049908 /nfs/dbraw/zinc/04/99/08/584049908.db2.gz IXGUWWXRROLDGA-UONOGXRCSA-N 2 0 287.448 -0.019 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000872242419 584052022 /nfs/dbraw/zinc/05/20/22/584052022.db2.gz DFUVSYIMBLFKNH-KGLIPLIRSA-N 2 0 285.432 -0.001 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(Cc2cc[nH]n2)C1 ZINC000872255429 584052324 /nfs/dbraw/zinc/05/23/24/584052324.db2.gz WWMYTXLKEIRGMF-GRYCIOLGSA-N 2 0 277.328 -0.223 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(CC23CC(C2)C[NH2+]3)C1 ZINC000872257772 584052410 /nfs/dbraw/zinc/05/24/10/584052410.db2.gz WPRNCMBZOJNGRO-GOIIMFGCSA-N 2 0 292.383 -0.395 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C1=NO[C@@H](C[NH3+])C1)C2 ZINC000872263375 584052660 /nfs/dbraw/zinc/05/26/60/584052660.db2.gz DCFOLCPDEFNXRQ-WQAKAFBOSA-N 2 0 266.345 -0.452 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH2+]CCC1(C)C ZINC000872296884 584054805 /nfs/dbraw/zinc/05/48/05/584054805.db2.gz ANZBMCSTAXPQBR-JTQLQIEISA-N 2 0 271.361 -0.133 20 0 CBADRP C[C@@H](CC(N)=O)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873289124 584070319 /nfs/dbraw/zinc/07/03/19/584070319.db2.gz FPBNVSJYRMIWOD-QWRGUYRKSA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCCCN1CC[NH2+]CC1 ZINC000876502949 584129816 /nfs/dbraw/zinc/12/98/16/584129816.db2.gz UGUOIODXBBMPIQ-NNTXTVRGSA-N 2 0 280.416 -0.046 20 0 CBADRP COC[C@@]1(C(=O)NCC2CC[NH2+]CC2)C[NH2+]CCO1 ZINC000876507550 584130189 /nfs/dbraw/zinc/13/01/89/584130189.db2.gz JTOUBNUCDUSHND-CYBMUJFWSA-N 2 0 271.361 -0.893 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000876518009 584130890 /nfs/dbraw/zinc/13/08/90/584130890.db2.gz JNXXQNKUNFCQIB-ZDUSSCGKSA-N 2 0 264.373 -0.307 20 0 CBADRP COC[C@]1(C(=O)N2CCC([C@H](C)[NH3+])CC2)C[NH2+]CCO1 ZINC000876522893 584131079 /nfs/dbraw/zinc/13/10/79/584131079.db2.gz FXESSCZRHXKSST-FZMZJTMJSA-N 2 0 285.388 -0.423 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876525561 584131090 /nfs/dbraw/zinc/13/10/90/584131090.db2.gz HFCALIOARPDOHO-HIFRSBDPSA-N 2 0 280.416 -0.118 20 0 CBADRP COC[C@]1(C(=O)NCC[C@H]2CC[NH2+]C2)C[NH2+]CCO1 ZINC000876526431 584131261 /nfs/dbraw/zinc/13/12/61/584131261.db2.gz TWIBDDMSZGFGDZ-YPMHNXCESA-N 2 0 271.361 -0.893 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876525780 584131299 /nfs/dbraw/zinc/13/12/99/584131299.db2.gz LNISTJGUHPNINU-BETUJISGSA-N 2 0 268.405 -0.133 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876525915 584131333 /nfs/dbraw/zinc/13/13/33/584131333.db2.gz MRXINKYPADOERF-NEPJUHHUSA-N 2 0 272.368 -0.702 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)C[NH2+]CCO1 ZINC000876533809 584131813 /nfs/dbraw/zinc/13/18/13/584131813.db2.gz WKOMWQSUBJQMRY-LOWVWBTDSA-N 2 0 271.361 -0.813 20 0 CBADRP COC[C@]1(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)C[NH2+]CCO1 ZINC000876534077 584131845 /nfs/dbraw/zinc/13/18/45/584131845.db2.gz NWVITVFORVHRJV-DYEKYZERSA-N 2 0 285.388 -0.423 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H]([NH3+])C(C)C)C[NH2+]CCO1 ZINC000876536458 584132065 /nfs/dbraw/zinc/13/20/65/584132065.db2.gz PKIGPYMFCAFGJJ-ZYHUDNBSSA-N 2 0 259.350 -0.909 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)[C@@H](C[NH3+])C1 ZINC000876542318 584132309 /nfs/dbraw/zinc/13/23/09/584132309.db2.gz NXRUHLOOTKARMA-DCAQKATOSA-N 2 0 254.378 -0.539 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)[C@@H](C[NH3+])C1 ZINC000876542320 584132379 /nfs/dbraw/zinc/13/23/79/584132379.db2.gz NXRUHLOOTKARMA-GARJFASQSA-N 2 0 254.378 -0.539 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]CCO1 ZINC000876539292 584132394 /nfs/dbraw/zinc/13/23/94/584132394.db2.gz BJRGFUDNQLKQIH-DYEKYZERSA-N 2 0 283.372 -0.656 20 0 CBADRP COC[C@@]1(C(=O)N(C)CC(C)(C)C[NH3+])C[NH2+]CCO1 ZINC000876540266 584132434 /nfs/dbraw/zinc/13/24/34/584132434.db2.gz HESIDRALLLIBTH-CYBMUJFWSA-N 2 0 273.377 -0.565 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)[C@H](C[NH3+])C1 ZINC000876542336 584132483 /nfs/dbraw/zinc/13/24/83/584132483.db2.gz NXRUHLOOTKARMA-VWYCJHECSA-N 2 0 254.378 -0.539 20 0 CBADRP CN1CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)[C@@H](C[NH3+])C1 ZINC000876542014 584132557 /nfs/dbraw/zinc/13/25/57/584132557.db2.gz JFNCPVQYIKIWLJ-SCRDCRAPSA-N 2 0 266.389 -0.380 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000876544503 584133103 /nfs/dbraw/zinc/13/31/03/584133103.db2.gz VIMPJLZSECGISD-IRUXQSIJSA-N 2 0 267.373 -0.027 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876722715 584140759 /nfs/dbraw/zinc/14/07/59/584140759.db2.gz CDFHCVXMUNSKEI-RYUDHWBXSA-N 2 0 256.394 -0.277 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876722714 584140770 /nfs/dbraw/zinc/14/07/70/584140770.db2.gz CDFHCVXMUNSKEI-NEPJUHHUSA-N 2 0 256.394 -0.277 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)[C@@H](N)C[NH+](C)C)C[C@@H](C)O1 ZINC000876715759 584140772 /nfs/dbraw/zinc/14/07/72/584140772.db2.gz ACIPLLLMTGCWGB-UPJWGTAASA-N 2 0 286.420 -0.509 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCC(O)CC2)C1(F)F ZINC000876724201 584141023 /nfs/dbraw/zinc/14/10/23/584141023.db2.gz QFSIBMHQCZBWHI-GHMZBOCLSA-N 2 0 291.342 -0.211 20 0 CBADRP COC[C@]1(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C[NH2+]CCO1 ZINC000876723174 584141058 /nfs/dbraw/zinc/14/10/58/584141058.db2.gz ORPMLUUUWVUIDE-HIFRSBDPSA-N 2 0 299.415 -0.161 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C[NH2+]CCO1 ZINC000876726841 584141299 /nfs/dbraw/zinc/14/12/99/584141299.db2.gz ALBGRVUAJGCLKU-GUTXKFCHSA-N 2 0 297.399 -0.266 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)C[NH2+]CCO1 ZINC000876733790 584141711 /nfs/dbraw/zinc/14/17/11/584141711.db2.gz HRUWFLMWDXHMLY-UKRRQHHQSA-N 2 0 299.415 -0.162 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876749606 584142489 /nfs/dbraw/zinc/14/24/89/584142489.db2.gz AQFAJEYODLZIOA-ZDUSSCGKSA-N 2 0 286.420 -0.508 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876777341 584143781 /nfs/dbraw/zinc/14/37/81/584143781.db2.gz VRJZQHOCKQTNAY-NEPJUHHUSA-N 2 0 274.409 -0.652 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)c1c(C[NH3+])cnn1C ZINC000876775755 584143991 /nfs/dbraw/zinc/14/39/91/584143991.db2.gz FLHNCIUFQVXNLK-GFCCVEGCSA-N 2 0 297.403 -0.035 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000876782524 584144169 /nfs/dbraw/zinc/14/41/69/584144169.db2.gz QLDYHLNCVRDLKT-ZMLRMANQSA-N 2 0 254.378 -0.526 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876781676 584144231 /nfs/dbraw/zinc/14/42/31/584144231.db2.gz QLVPSRBFQSYLDJ-VXGBXAGGSA-N 2 0 268.405 -0.277 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876783113 584144264 /nfs/dbraw/zinc/14/42/64/584144264.db2.gz ZYLREVHSOHTQHR-DCAQKATOSA-N 2 0 290.358 -0.422 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876784052 584144491 /nfs/dbraw/zinc/14/44/91/584144491.db2.gz VPACREMOVNBGPB-WOPDTQHZSA-N 2 0 268.405 -0.278 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876784051 584144641 /nfs/dbraw/zinc/14/46/41/584144641.db2.gz VPACREMOVNBGPB-UTUOFQBUSA-N 2 0 268.405 -0.278 20 0 CBADRP C[NH2+]CCC1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876791786 584144805 /nfs/dbraw/zinc/14/48/05/584144805.db2.gz NQRZKHDWAKWUEQ-LBPRGKRZSA-N 2 0 256.394 -0.277 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876792868 584145080 /nfs/dbraw/zinc/14/50/80/584145080.db2.gz WRIBWCHAUMRRFV-YPMHNXCESA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000876793001 584145258 /nfs/dbraw/zinc/14/52/58/584145258.db2.gz COKFHOLHUHFJCD-UHFFFAOYSA-N 2 0 266.389 -0.506 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)CCO1 ZINC000876807587 584147218 /nfs/dbraw/zinc/14/72/18/584147218.db2.gz HBBYAUMJLLKANB-HEKLCECKSA-N 2 0 253.346 -0.272 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H]2CCC[NH2+]CC2)C[NH2+]CCO1 ZINC000876826306 584147698 /nfs/dbraw/zinc/14/76/98/584147698.db2.gz OMKJTVUJTQSGTD-DGCLKSJQSA-N 2 0 271.361 -0.750 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000876837326 584148500 /nfs/dbraw/zinc/14/85/00/584148500.db2.gz AVGKVPGEVUBUSB-MJBXVCDLSA-N 2 0 276.384 -0.171 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000876847921 584149411 /nfs/dbraw/zinc/14/94/11/584149411.db2.gz OIODUIIORBKQPO-RIMBHEBDSA-N 2 0 292.427 -0.096 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876849443 584149526 /nfs/dbraw/zinc/14/95/26/584149526.db2.gz ZWTCAQQOTRVHMG-IJLUTSLNSA-N 2 0 283.372 -0.133 20 0 CBADRP COC[C@@]1(C(=O)N[C@H]2C[NH2+]CCC2(F)F)C[NH2+]CCO1 ZINC000876866270 584151014 /nfs/dbraw/zinc/15/10/14/584151014.db2.gz RSUGEGGRDXMXHZ-GXSJLCMTSA-N 2 0 293.314 -0.895 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C[NH2+]CCO1 ZINC000876869730 584151521 /nfs/dbraw/zinc/15/15/21/584151521.db2.gz CDXNJNMPDAXADY-WCBMZHEXSA-N 2 0 299.293 -0.613 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH2+]CCCO2)C1(F)F ZINC000876870504 584151524 /nfs/dbraw/zinc/15/15/24/584151524.db2.gz ODYZGMSJDDKEMS-DJLDLDEBSA-N 2 0 263.288 -0.679 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876878547 584152529 /nfs/dbraw/zinc/15/25/29/584152529.db2.gz GDTUZLIEFQPTPQ-VXGBXAGGSA-N 2 0 275.368 -0.029 20 0 CBADRP COC[C@]1(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)C[NH2+]CCO1 ZINC000876885089 584153081 /nfs/dbraw/zinc/15/30/81/584153081.db2.gz USLNLHKZWGSVNX-HIFRSBDPSA-N 2 0 299.415 -0.066 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876890389 584153690 /nfs/dbraw/zinc/15/36/90/584153690.db2.gz XVKSYEWBBZZIIE-MNOVXSKESA-N 2 0 261.341 -0.372 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876916318 584155106 /nfs/dbraw/zinc/15/51/06/584155106.db2.gz AESCTCUROAMYQO-LOWVWBTDSA-N 2 0 253.346 -0.377 20 0 CBADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NC[C@@H]1C[NH2+]CCO1 ZINC000876916439 584155172 /nfs/dbraw/zinc/15/51/72/584155172.db2.gz BMTNRVXJAZXWLX-QSKOYVBTSA-N 2 0 253.346 -0.353 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876916320 584155237 /nfs/dbraw/zinc/15/52/37/584155237.db2.gz AESCTCUROAMYQO-WZRBSPASSA-N 2 0 253.346 -0.377 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000876917679 584155532 /nfs/dbraw/zinc/15/55/32/584155532.db2.gz AYHSPZSHBYWEDI-IHRRRGAJSA-N 2 0 298.431 -0.380 20 0 CBADRP C[C@@H]1CC2(CN1C(=O)[C@@H](N)C[NH+](C)C)CC[NH2+]CC2 ZINC000876933274 584156397 /nfs/dbraw/zinc/15/63/97/584156397.db2.gz KYZXUKCXPGQYLE-NEPJUHHUSA-N 2 0 268.405 -0.134 20 0 CBADRP COC[C@@]1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[NH2+]CCO1 ZINC000876946179 584157256 /nfs/dbraw/zinc/15/72/56/584157256.db2.gz IAXIIGMFQXLNBD-AEGPPILISA-N 2 0 297.399 -0.421 20 0 CBADRP C[NH2+]Cc1ccccc1CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876946849 584157320 /nfs/dbraw/zinc/15/73/20/584157320.db2.gz WKBAYBHMRGHFGG-ZDUSSCGKSA-N 2 0 264.373 -0.089 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000876948094 584157631 /nfs/dbraw/zinc/15/76/31/584157631.db2.gz FONVWUCRCBSYIA-IRCOFANPSA-N 2 0 273.352 -0.244 20 0 CBADRP COC[C@@]1(C(=O)N(C)CC[NH+]2CCCCC2)C[NH2+]CCO1 ZINC000876951872 584157818 /nfs/dbraw/zinc/15/78/18/584157818.db2.gz QIIJMVNAUFYOGX-OAHLLOKOSA-N 2 0 299.415 -0.064 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)[C@@H](N)C[NH+](C)C ZINC000876951236 584157870 /nfs/dbraw/zinc/15/78/70/584157870.db2.gz HSWNIYQBKJUWSJ-LBPRGKRZSA-N 2 0 256.394 -0.180 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876965637 584158700 /nfs/dbraw/zinc/15/87/00/584158700.db2.gz JGOVJTUJHDFCIL-VXGBXAGGSA-N 2 0 298.431 -0.162 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000876973196 584159260 /nfs/dbraw/zinc/15/92/60/584159260.db2.gz XQZFMDGPIWKJSQ-JHJVBQTASA-N 2 0 280.416 -0.134 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C[NH2+]CCO1 ZINC000877005254 584161384 /nfs/dbraw/zinc/16/13/84/584161384.db2.gz PYVRTADSLRVWCU-RISCZKNCSA-N 2 0 283.372 -0.608 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N[C@H]2CC[NH2+]C23CCC3)=NO1 ZINC000877006258 584161415 /nfs/dbraw/zinc/16/14/15/584161415.db2.gz ZCCMNMSNPANCPL-SCZZXKLOSA-N 2 0 252.318 -0.509 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000877024151 584162040 /nfs/dbraw/zinc/16/20/40/584162040.db2.gz SCMOJGYBDUWPEV-YUMQZZPRSA-N 2 0 251.277 -0.821 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000877029343 584162495 /nfs/dbraw/zinc/16/24/95/584162495.db2.gz AAZZBIZRBZTCSP-MNOVXSKESA-N 2 0 261.341 -0.372 20 0 CBADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NC[C@@H]1COCC[NH2+]1 ZINC000877038829 584163546 /nfs/dbraw/zinc/16/35/46/584163546.db2.gz YXNXQDOQZKVMHD-RRNNCXACSA-N 2 0 253.346 -0.353 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C[NH2+]CCO1 ZINC000877045611 584163988 /nfs/dbraw/zinc/16/39/88/584163988.db2.gz DBVUORJOTICHPL-GVXVVHGQSA-N 2 0 271.361 -0.752 20 0 CBADRP CN(CCOCC[NH3+])C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000877060431 584164458 /nfs/dbraw/zinc/16/44/58/584164458.db2.gz XIWQNVVHGPFGLQ-LLVKDONJSA-N 2 0 259.350 -0.811 20 0 CBADRP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000877132505 584167734 /nfs/dbraw/zinc/16/77/34/584167734.db2.gz GBOALHZAZVAAPC-CQSZACIVSA-N 2 0 299.415 -0.208 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C[NH2+]CCO1 ZINC000877151645 584168224 /nfs/dbraw/zinc/16/82/24/584168224.db2.gz OVWFXCAZOLTMRE-SWLSCSKDSA-N 2 0 299.415 -0.114 20 0 CBADRP C[NH2+]CC(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000877208310 584170565 /nfs/dbraw/zinc/17/05/65/584170565.db2.gz YCOWPMKRJWWUBB-UHFFFAOYSA-N 2 0 274.328 -0.438 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC[C@@H]21 ZINC000877248545 584172323 /nfs/dbraw/zinc/17/23/23/584172323.db2.gz BHPAYROCGXPTTN-FVCCEPFGSA-N 2 0 267.373 -0.097 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC[C@H]21 ZINC000877248544 584172338 /nfs/dbraw/zinc/17/23/38/584172338.db2.gz BHPAYROCGXPTTN-FDYHWXHSSA-N 2 0 267.373 -0.097 20 0 CBADRP COC[C@@]1(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]CCO1 ZINC000877293554 584176188 /nfs/dbraw/zinc/17/61/88/584176188.db2.gz QEGZROLOZRIIES-NQBHXWOUSA-N 2 0 271.361 -0.623 20 0 CBADRP C[NH+](C)CC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877332245 584178788 /nfs/dbraw/zinc/17/87/88/584178788.db2.gz WUMBMDYKLRKYFI-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877331954 584178823 /nfs/dbraw/zinc/17/88/23/584178823.db2.gz TVTAXFRTNDAFFN-WDEREUQCSA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877338714 584179050 /nfs/dbraw/zinc/17/90/50/584179050.db2.gz KSDOHHJUFVBNFE-HNNXBMFYSA-N 2 0 288.395 -0.278 20 0 CBADRP [NH3+]C1(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000877336322 584179162 /nfs/dbraw/zinc/17/91/62/584179162.db2.gz JOSRWYQYIUEBKJ-SNVBAGLBSA-N 2 0 253.346 -0.247 20 0 CBADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)[C@@H]1C[NH2+]CCO1 ZINC000877347729 584179406 /nfs/dbraw/zinc/17/94/06/584179406.db2.gz PEJAUNLPZUJIAO-KGLIPLIRSA-N 2 0 275.352 -0.195 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@]1(C[NH3+])CCCOC1)C2 ZINC000877371035 584179710 /nfs/dbraw/zinc/17/97/10/584179710.db2.gz KCSYXXLZSXIERE-YUTCNCBUSA-N 2 0 267.373 -0.190 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@]1(C)C[NH2+]CCO1)C2 ZINC000877372213 584179909 /nfs/dbraw/zinc/17/99/09/584179909.db2.gz XVMGPHGWRSCNPA-UHTWSYAYSA-N 2 0 253.346 -0.567 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000877372185 584179985 /nfs/dbraw/zinc/17/99/85/584179985.db2.gz WUCOJOKCNQAWPY-VTPLQMEGSA-N 2 0 267.373 -0.179 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877393567 584180512 /nfs/dbraw/zinc/18/05/12/584180512.db2.gz ZXWRDIZYRIWVMD-SLEUVZQESA-N 2 0 294.399 -0.355 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877390094 584180553 /nfs/dbraw/zinc/18/05/53/584180553.db2.gz HUROBEAVRCJPCB-CWSCBRNRSA-N 2 0 269.345 -0.332 20 0 CBADRP COC[C@]1(C(=O)N(C)CCCCCC[NH3+])C[NH2+]CCO1 ZINC000877435640 584182034 /nfs/dbraw/zinc/18/20/34/584182034.db2.gz VMEMHMOJSGYELT-AWEZNQCLSA-N 2 0 287.404 -0.031 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000877451590 584182252 /nfs/dbraw/zinc/18/22/52/584182252.db2.gz RTMCRSAWKQRAKN-QJPTWQEYSA-N 2 0 283.372 -0.038 20 0 CBADRP C[NH+]1CCC(NC(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC000877960737 584188824 /nfs/dbraw/zinc/18/88/24/584188824.db2.gz APGSFXYGZUMZAU-UHFFFAOYSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+]1CCC(NC(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000877982541 584189790 /nfs/dbraw/zinc/18/97/90/584189790.db2.gz WNGKVBFETFKRHD-VXGBXAGGSA-N 2 0 266.389 -0.652 20 0 CBADRP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)CC(C)(C)O ZINC000878108666 584193234 /nfs/dbraw/zinc/19/32/34/584193234.db2.gz HVUFNIUBVXXHOU-UHFFFAOYSA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@H](O)C1CC1 ZINC000878175279 584195023 /nfs/dbraw/zinc/19/50/23/584195023.db2.gz ODOQPCVCKSBLQS-ZDUSSCGKSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+]1CCC(NC(=O)C[NH2+][C@H](CO)C2CC2)CC1 ZINC000878420079 584202363 /nfs/dbraw/zinc/20/23/63/584202363.db2.gz LDQCWVFTNOWBJP-GFCCVEGCSA-N 2 0 255.362 -0.443 20 0 CBADRP COCC[C@]1([NH2+]CC(=O)NC2CC[NH+](C)CC2)CCOC1 ZINC000878520196 584206597 /nfs/dbraw/zinc/20/65/97/584206597.db2.gz DCRZTTAXVKWWDF-HNNXBMFYSA-N 2 0 299.415 -0.018 20 0 CBADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCn2cnnn2)CC1 ZINC000878690149 584214056 /nfs/dbraw/zinc/21/40/56/584214056.db2.gz RWWGKXPMIIUJSA-UHFFFAOYSA-N 2 0 281.408 -0.321 20 0 CBADRP CC[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+](C)CCOC ZINC000883298791 584339459 /nfs/dbraw/zinc/33/94/59/584339459.db2.gz CDYVFMJAMAEBCI-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP O=C1NCC[C@H]2CCC[N@H+](CCN3CC[NH2+]CC3)[C@H]12 ZINC000883462323 584343198 /nfs/dbraw/zinc/34/31/98/584343198.db2.gz OHZYPAPVUNOWBD-OLZOCXBDSA-N 2 0 266.389 -0.508 20 0 CBADRP O=C(NC1CC[NH2+]CC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884005303 584355219 /nfs/dbraw/zinc/35/52/19/584355219.db2.gz BLSLCDVIWXFIHF-UHFFFAOYSA-N 2 0 289.383 -0.027 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000884020396 584356209 /nfs/dbraw/zinc/35/62/09/584356209.db2.gz XGOKBMXOPAYAOK-STQMWFEESA-N 2 0 298.431 -0.066 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]([NH3+])CC1CC1 ZINC000884027803 584356425 /nfs/dbraw/zinc/35/64/25/584356425.db2.gz NSGKLNCCNYJHHX-GFCCVEGCSA-N 2 0 254.378 -0.523 20 0 CBADRP [NH3+]C[C@@H](NC(=O)c1ccnc(N2CC[NH2+]CC2)c1)C1CC1 ZINC000884036879 584357053 /nfs/dbraw/zinc/35/70/53/584357053.db2.gz JQHPIPGRAMLASH-CYBMUJFWSA-N 2 0 289.383 -0.042 20 0 CBADRP CN1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)[C@@H](C[NH3+])C1 ZINC000884042058 584357392 /nfs/dbraw/zinc/35/73/92/584357392.db2.gz PACLUCAXMMAICB-WDEREUQCSA-N 2 0 254.378 -0.667 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000884234220 584368838 /nfs/dbraw/zinc/36/88/38/584368838.db2.gz MKODKGXEEVVWGH-ZDUSSCGKSA-N 2 0 268.405 -0.133 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884235105 584369178 /nfs/dbraw/zinc/36/91/78/584369178.db2.gz MJDWULUFRQLKIP-CHWSQXEVSA-N 2 0 282.432 -0.016 20 0 CBADRP C[NH2+]CCN(C)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884243211 584369620 /nfs/dbraw/zinc/36/96/20/584369620.db2.gz YLDDAMDAJDAEMG-UHFFFAOYSA-N 2 0 277.372 -0.217 20 0 CBADRP [NH3+][C@H](CC1CC1)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000884285998 584372155 /nfs/dbraw/zinc/37/21/55/584372155.db2.gz WBLMQSXMXCKAAD-QWHCGFSZSA-N 2 0 266.389 -0.380 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884286703 584372283 /nfs/dbraw/zinc/37/22/83/584372283.db2.gz JSXIDRBEYPCRDX-QWRGUYRKSA-N 2 0 269.345 -0.523 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000884289831 584372487 /nfs/dbraw/zinc/37/24/87/584372487.db2.gz KVXYTIDDDIXOOS-CHWSQXEVSA-N 2 0 280.416 -0.262 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000884301811 584372773 /nfs/dbraw/zinc/37/27/73/584372773.db2.gz CYKKJHPFWXRLMY-GHMZBOCLSA-N 2 0 255.362 -0.273 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000884300719 584372788 /nfs/dbraw/zinc/37/27/88/584372788.db2.gz GCDOBTFUULDGBU-UTUOFQBUSA-N 2 0 255.362 -0.192 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000884328613 584374680 /nfs/dbraw/zinc/37/46/80/584374680.db2.gz ULQBURJLSDKKHO-UTUOFQBUSA-N 2 0 255.362 -0.097 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000884348091 584375726 /nfs/dbraw/zinc/37/57/26/584375726.db2.gz NTEUYDUFBFAFIS-HBNTYKKESA-N 2 0 255.362 -0.003 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000884348089 584375755 /nfs/dbraw/zinc/37/57/55/584375755.db2.gz NTEUYDUFBFAFIS-AXFHLTTASA-N 2 0 255.362 -0.003 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000884346377 584375763 /nfs/dbraw/zinc/37/57/63/584375763.db2.gz JDOIOWTZIVJYCQ-NSHDSACASA-N 2 0 257.378 -0.067 20 0 CBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000884360769 584376522 /nfs/dbraw/zinc/37/65/22/584376522.db2.gz GHWNVMDTRWTRAR-QWRGUYRKSA-N 2 0 255.362 -0.003 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884366131 584377030 /nfs/dbraw/zinc/37/70/30/584377030.db2.gz URMGWJJDVQTVNW-IUCAKERBSA-N 2 0 251.334 -0.266 20 0 CBADRP C[NH2+]Cc1ccccc1CNC(=O)[C@H](C[NH3+])OC ZINC000884384016 584377927 /nfs/dbraw/zinc/37/79/27/584377927.db2.gz BFCBCQDNFMTXOF-LBPRGKRZSA-N 2 0 251.330 -0.004 20 0 CBADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884457600 584382696 /nfs/dbraw/zinc/38/26/96/584382696.db2.gz HIJGDKWXMOQVOU-STQMWFEESA-N 2 0 287.367 -0.323 20 0 CBADRP CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000884486118 584384842 /nfs/dbraw/zinc/38/48/42/584384842.db2.gz OOFFMSIUEDZJSU-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@H]1C[NH3+] ZINC000884529645 584386714 /nfs/dbraw/zinc/38/67/14/584386714.db2.gz SLIIEEWCPIDNTJ-VXGBXAGGSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884553821 584387859 /nfs/dbraw/zinc/38/78/59/584387859.db2.gz HXYVGASWNRXWGS-RSLMWUCJSA-N 2 0 292.383 -0.842 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884555313 584387863 /nfs/dbraw/zinc/38/78/63/584387863.db2.gz ONGABHACFMFRNJ-CYZMBNFOSA-N 2 0 294.399 -0.465 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884601745 584389691 /nfs/dbraw/zinc/38/96/91/584389691.db2.gz UQPJEQYFPPRFPA-TUAOUCFPSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H](NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000884623726 584391432 /nfs/dbraw/zinc/39/14/32/584391432.db2.gz MPSYAHJJNMSTPV-GVXVVHGQSA-N 2 0 294.399 -0.299 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884626889 584391602 /nfs/dbraw/zinc/39/16/02/584391602.db2.gz YNKLDJFLNVMEBF-FRRDWIJNSA-N 2 0 294.399 -0.321 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884626140 584391771 /nfs/dbraw/zinc/39/17/71/584391771.db2.gz BFGHDCVWKLITKH-MROQNXINSA-N 2 0 294.399 -0.323 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884626198 584391801 /nfs/dbraw/zinc/39/18/01/584391801.db2.gz DFZVXOCAHGITHX-XQHKEYJVSA-N 2 0 292.383 -0.698 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884650582 584392512 /nfs/dbraw/zinc/39/25/12/584392512.db2.gz PAXSEXJYAQSCAZ-TXEJJXNPSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884665502 584393558 /nfs/dbraw/zinc/39/35/58/584393558.db2.gz WRRBQXLLQWQLOW-WOPDTQHZSA-N 2 0 282.388 -0.594 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884669807 584393760 /nfs/dbraw/zinc/39/37/60/584393760.db2.gz HMPKVGKZKOUYMF-WUHRBBMRSA-N 2 0 292.383 -0.698 20 0 CBADRP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000884673528 584394245 /nfs/dbraw/zinc/39/42/45/584394245.db2.gz ZOGZCFRUXCQNQX-UHFFFAOYSA-N 2 0 282.388 -0.462 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCCC[NH3+])CC[C@@H]21 ZINC000884672999 584394286 /nfs/dbraw/zinc/39/42/86/584394286.db2.gz JVMVOKLJVBKAJD-QWRGUYRKSA-N 2 0 268.361 -0.996 20 0 CBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000884674088 584394492 /nfs/dbraw/zinc/39/44/92/584394492.db2.gz MYGJRPXGWMXJLV-UHFFFAOYSA-N 2 0 296.415 -0.072 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC[C@H]21 ZINC000884673747 584394516 /nfs/dbraw/zinc/39/45/16/584394516.db2.gz FDOKXZAAQMHGIM-FRRDWIJNSA-N 2 0 294.399 -0.593 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC[C@H]21 ZINC000884673748 584394518 /nfs/dbraw/zinc/39/45/18/584394518.db2.gz FDOKXZAAQMHGIM-JHJVBQTASA-N 2 0 294.399 -0.593 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884675905 584394874 /nfs/dbraw/zinc/39/48/74/584394874.db2.gz UUFYRBNNSDYYGT-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000884675764 584394926 /nfs/dbraw/zinc/39/49/26/584394926.db2.gz PCJXUWPGXGODSA-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CCC1(C)C ZINC000884679151 584395584 /nfs/dbraw/zinc/39/55/84/584395584.db2.gz XTHXPBIXZYHRBB-LBPRGKRZSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884687665 584396641 /nfs/dbraw/zinc/39/66/41/584396641.db2.gz DHKYVGDPTSKUJT-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC[C@H]21 ZINC000884692069 584397547 /nfs/dbraw/zinc/39/75/47/584397547.db2.gz FDOKXZAAQMHGIM-YNEHKIRRSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884697981 584398455 /nfs/dbraw/zinc/39/84/55/584398455.db2.gz HWACFZFNNQXQHB-UTUOFQBUSA-N 2 0 282.388 -0.750 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884703662 584398589 /nfs/dbraw/zinc/39/85/89/584398589.db2.gz GYSFSDZILPRSNJ-GRYCIOLGSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884704688 584399236 /nfs/dbraw/zinc/39/92/36/584399236.db2.gz PFJVQKYSFISWNM-OUAUKWLOSA-N 2 0 268.361 -0.998 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC[C@@H]21 ZINC000884706675 584399575 /nfs/dbraw/zinc/39/95/75/584399575.db2.gz KQMHIJNHBAGJEC-AGIUHOORSA-N 2 0 294.399 -0.608 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884729209 584401102 /nfs/dbraw/zinc/40/11/02/584401102.db2.gz KMOARLMMPYVJDW-WUHRBBMRSA-N 2 0 296.415 -0.219 20 0 CBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000884986452 584406702 /nfs/dbraw/zinc/40/67/02/584406702.db2.gz QFMAQHURSGCHCX-XIKARTHZSA-N 2 0 296.415 -0.075 20 0 CBADRP CCN(C(=O)C(=O)N(C)CC[N@H+](C)C1CC1)[C@H]1CC[NH2+]C1 ZINC000887068025 584461234 /nfs/dbraw/zinc/46/12/34/584461234.db2.gz DMDBOBMDGHLDSG-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC[C@@H]21 ZINC000887089773 584463243 /nfs/dbraw/zinc/46/32/43/584463243.db2.gz STBBUPSZFJWYFR-XQQFMLRXSA-N 2 0 294.399 -0.511 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000890057947 584540293 /nfs/dbraw/zinc/54/02/93/584540293.db2.gz RJTSXLMRXWSNRV-VXGBXAGGSA-N 2 0 270.377 -0.554 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000891514719 584583655 /nfs/dbraw/zinc/58/36/55/584583655.db2.gz YEBXPKLSAJFCBO-XQHKEYJVSA-N 2 0 282.388 -0.019 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891527340 584584315 /nfs/dbraw/zinc/58/43/15/584584315.db2.gz KCSGYSSAOSIZRZ-AGIUHOORSA-N 2 0 281.404 -0.622 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000891540076 584584736 /nfs/dbraw/zinc/58/47/36/584584736.db2.gz LWDUQKNHAGROLZ-CHWSQXEVSA-N 2 0 283.420 -0.245 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891540675 584584904 /nfs/dbraw/zinc/58/49/04/584584904.db2.gz XEDHJFLPROPKCT-MCIONIFRSA-N 2 0 295.431 -0.232 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891540623 584584910 /nfs/dbraw/zinc/58/49/10/584584910.db2.gz VRQVCVCOYNUPRW-XQQFMLRXSA-N 2 0 281.404 -0.622 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H]([NH3+])C[C@@H]2C)C1 ZINC000891576681 584586850 /nfs/dbraw/zinc/58/68/50/584586850.db2.gz MUYNJFDDTVASJL-TUAOUCFPSA-N 2 0 270.377 -0.162 20 0 CBADRP C[C@@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC000891604218 584587782 /nfs/dbraw/zinc/58/77/82/584587782.db2.gz WLGWMKRLMKCOPU-IHRRRGAJSA-N 2 0 297.447 -0.094 20 0 CBADRP O=C(NCC[N@@H+]1CCCOCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891918952 584594286 /nfs/dbraw/zinc/59/42/86/584594286.db2.gz PDBMLMYJACJMSA-RYUDHWBXSA-N 2 0 268.361 -0.536 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891967818 584595815 /nfs/dbraw/zinc/59/58/15/584595815.db2.gz BIOFZNXJUZQBIG-KBPBESRZSA-N 2 0 295.431 -0.182 20 0 CBADRP CCC1([NH3+])CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000891970151 584596084 /nfs/dbraw/zinc/59/60/84/584596084.db2.gz IBPXYNKSKCRHMB-UHFFFAOYSA-N 2 0 297.403 -0.669 20 0 CBADRP O=C(CNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2)N1CC[NH2+]CC1 ZINC000891969873 584596116 /nfs/dbraw/zinc/59/61/16/584596116.db2.gz CEIMISITJHHCQS-BXUZGUMPSA-N 2 0 295.387 -0.998 20 0 CBADRP CC1(C)CC[C@@H](CNC(=O)NCCN2CC[NH2+]CC2)[NH2+]C1 ZINC000891972647 584596357 /nfs/dbraw/zinc/59/63/57/584596357.db2.gz JVDDYVYHZLIRJL-ZDUSSCGKSA-N 2 0 297.447 -0.031 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCCN1CC[NH2+]CC1 ZINC000891972289 584596360 /nfs/dbraw/zinc/59/63/60/584596360.db2.gz CIFSGLBTZFXLKQ-QWRGUYRKSA-N 2 0 255.366 -0.977 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891973193 584596627 /nfs/dbraw/zinc/59/66/27/584596627.db2.gz QFJXVVJUDUCDMB-BTTYYORXSA-N 2 0 295.431 -0.279 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)C[C@H]1C[NH+](C)C ZINC000892002616 584598578 /nfs/dbraw/zinc/59/85/78/584598578.db2.gz QICOGXKWZLTOCK-MCIONIFRSA-N 3 0 297.447 -0.271 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000892014509 584599209 /nfs/dbraw/zinc/59/92/09/584599209.db2.gz HRSKISZKNNVQJK-NEPJUHHUSA-N 2 0 284.404 -0.117 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000892055621 584602331 /nfs/dbraw/zinc/60/23/31/584602331.db2.gz KQFAUTFYXLZDQO-NWDGAFQWSA-N 2 0 270.377 -0.242 20 0 CBADRP COCCC1(NC(=O)N[C@@H](C)C[NH3+])CC[NH2+]CC1 ZINC000892088129 584603921 /nfs/dbraw/zinc/60/39/21/584603921.db2.gz HRKNAINDNFKPIW-JTQLQIEISA-N 2 0 258.366 -0.209 20 0 CBADRP C[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000892097846 584604485 /nfs/dbraw/zinc/60/44/85/584604485.db2.gz SHCLFZWVIUNEOS-UWVGGRQHSA-N 2 0 258.366 -0.522 20 0 CBADRP C[C@H]([NH3+])CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892103939 584604871 /nfs/dbraw/zinc/60/48/71/584604871.db2.gz SUMFHKFWHFIGLU-WDEREUQCSA-N 2 0 270.377 -0.209 20 0 CBADRP [NH3+]C[C@@H]1CCCCN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000892166226 584606910 /nfs/dbraw/zinc/60/69/10/584606910.db2.gz HPGUHZDUVPOACZ-RYUDHWBXSA-N 2 0 270.377 -0.112 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000892168974 584607097 /nfs/dbraw/zinc/60/70/97/584607097.db2.gz KZRRLEFFGSSUSL-XQQFMLRXSA-N 2 0 282.388 -0.099 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892170709 584607527 /nfs/dbraw/zinc/60/75/27/584607527.db2.gz WCVNSUUTXFTCDK-GARJFASQSA-N 2 0 254.334 -0.879 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000892183113 584608050 /nfs/dbraw/zinc/60/80/50/584608050.db2.gz BURGXJUGFSHCDP-SRVKXCTJSA-N 2 0 268.361 -0.489 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000892182057 584608055 /nfs/dbraw/zinc/60/80/55/584608055.db2.gz WUHBDHFUMGCIGY-QWKFWESOSA-N 2 0 268.361 -0.360 20 0 CBADRP [NH3+]C[C@@H]1CCCCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000892187384 584608334 /nfs/dbraw/zinc/60/83/34/584608334.db2.gz AODKUFPFNMYAJG-WDEREUQCSA-N 2 0 256.350 -0.502 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000892188984 584608816 /nfs/dbraw/zinc/60/88/16/584608816.db2.gz KYEIBQKBERPIFN-ZJUUUORDSA-N 2 0 292.330 -0.481 20 0 CBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892266306 584611528 /nfs/dbraw/zinc/61/15/28/584611528.db2.gz AJNIBZWSGLXTRE-DCAQKATOSA-N 2 0 250.346 -0.116 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCC1([NH3+])CCOCC1 ZINC000892279077 584611832 /nfs/dbraw/zinc/61/18/32/584611832.db2.gz NAAGOBQCKKVBLU-VHSXEESVSA-N 2 0 256.350 -0.375 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892289529 584613355 /nfs/dbraw/zinc/61/33/55/584613355.db2.gz NWCWEUBFPVYIOY-OUAUKWLOSA-N 2 0 254.334 -0.879 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000892306435 584614381 /nfs/dbraw/zinc/61/43/81/584614381.db2.gz ZGHMUJITFUVJPJ-MEWQQHAOSA-N 2 0 252.362 -0.012 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892560916 584618985 /nfs/dbraw/zinc/61/89/85/584618985.db2.gz WCIBOQGQUXHAQO-UMNHJUIQSA-N 2 0 258.366 -0.665 20 0 CBADRP CN(C)c1cc(NCC[N@H+](C)CCOCCO)ncn1 ZINC000895155867 584672180 /nfs/dbraw/zinc/67/21/80/584672180.db2.gz PVGJWFXSQXKBAV-UHFFFAOYSA-N 2 0 283.376 -0.105 20 0 CBADRP C[C@@H](CNC(=O)N1CCN(C)CC[N@H+](C)CC1)[NH+](C)C ZINC000895206769 584673391 /nfs/dbraw/zinc/67/33/91/584673391.db2.gz XWRYBROLWDDELX-ZDUSSCGKSA-N 2 0 285.436 -0.175 20 0 CBADRP C[NH+]1CCC(C[NH2+]C[C@@]23COCCN2C(=O)COC3)CC1 ZINC000895836854 584688068 /nfs/dbraw/zinc/68/80/68/584688068.db2.gz FWLYMZYOSBRHCZ-HNNXBMFYSA-N 2 0 297.399 -0.454 20 0 CBADRP CN1CCOC[C@@]1(CO)C[NH2+]CC1CC[NH+](C)CC1 ZINC000896460523 584699509 /nfs/dbraw/zinc/69/95/09/584699509.db2.gz QBFGTUNDGSSYTL-AWEZNQCLSA-N 2 0 271.405 -0.389 20 0 CBADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)CC1 ZINC000897053033 584707735 /nfs/dbraw/zinc/70/77/35/584707735.db2.gz QGTOCWIQRXOTLR-LBPRGKRZSA-N 2 0 275.418 -0.061 20 0 CBADRP CCN1CC[C@H]1CNC(=O)C(=O)N[C@@H](C)Cn1ccnc1 ZINC000897490180 584717878 /nfs/dbraw/zinc/71/78/78/584717878.db2.gz WECYTOBXMNWARH-RYUDHWBXSA-N 2 0 293.371 -0.402 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000897514628 584719396 /nfs/dbraw/zinc/71/93/96/584719396.db2.gz VKLMYRAMDVLYJB-TZMCWYRMSA-N 2 0 296.415 -0.069 20 0 CBADRP C[NH+](C)C1(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000897989340 584728995 /nfs/dbraw/zinc/72/89/95/584728995.db2.gz KCLZXTNAPHIKIK-LBPRGKRZSA-N 2 0 267.373 -0.083 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCN3CCC4)C[C@@H]2C1 ZINC000898166384 584732442 /nfs/dbraw/zinc/73/24/42/584732442.db2.gz SCCPKPXQSRTYGQ-QLFBSQMISA-N 2 0 292.427 -0.214 20 0 CBADRP C[C@H](NC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2)C1CC1 ZINC000899269520 584756230 /nfs/dbraw/zinc/75/62/30/584756230.db2.gz BWJTYPYPPCEXJY-JQWIXIFHSA-N 2 0 251.378 -0.101 20 0 CBADRP C[C@H](NC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2)C1CC1 ZINC000899269519 584756254 /nfs/dbraw/zinc/75/62/54/584756254.db2.gz BWJTYPYPPCEXJY-CMPLNLGQSA-N 2 0 251.378 -0.101 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000899904873 584783579 /nfs/dbraw/zinc/78/35/79/584783579.db2.gz RASKTCPCDAWUTM-WCQYABFASA-N 2 0 257.378 -0.101 20 0 CBADRP CN(C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000899909164 584784153 /nfs/dbraw/zinc/78/41/53/584784153.db2.gz LUQMKUYFDMYPQN-TZMCWYRMSA-N 2 0 269.389 -0.006 20 0 CBADRP C[NH+](C)CCNC(=O)c1ccnn1CC[NH+](C)C ZINC000899920638 584784925 /nfs/dbraw/zinc/78/49/25/584784925.db2.gz RFJDOYYZFMIGGK-UHFFFAOYSA-N 2 0 253.350 -0.264 20 0 CBADRP C[NH+](C)CCN1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900010252 584788913 /nfs/dbraw/zinc/78/89/13/584788913.db2.gz VPGBTXXKBSBLOG-ZFWWWQNUSA-N 2 0 298.431 -0.853 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)C1CC1 ZINC000900283472 584798277 /nfs/dbraw/zinc/79/82/77/584798277.db2.gz RXRWZGZRIPQUNY-YRGRVCCFSA-N 2 0 269.389 -0.102 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900306263 584799097 /nfs/dbraw/zinc/79/90/97/584799097.db2.gz QDQNDITXSORPFT-JSGCOSHPSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900306261 584799116 /nfs/dbraw/zinc/79/91/16/584799116.db2.gz QDQNDITXSORPFT-GXTWGEPZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900306267 584799392 /nfs/dbraw/zinc/79/93/92/584799392.db2.gz QDQNDITXSORPFT-TZMCWYRMSA-N 2 0 269.389 -0.099 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000900516392 584809244 /nfs/dbraw/zinc/80/92/44/584809244.db2.gz BUWRBSFERQMWKF-WCQYABFASA-N 2 0 273.377 -0.864 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000900526064 584810320 /nfs/dbraw/zinc/81/03/20/584810320.db2.gz SFVCVUOFDKPKHD-YRGRVCCFSA-N 2 0 269.389 -0.006 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC000900614225 584816321 /nfs/dbraw/zinc/81/63/21/584816321.db2.gz OUMIWRQRAFLURV-CYBMUJFWSA-N 2 0 280.416 -0.166 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000900630657 584817736 /nfs/dbraw/zinc/81/77/36/584817736.db2.gz OTMWKBJWFGTRDD-YRGRVCCFSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900686615 584821588 /nfs/dbraw/zinc/82/15/88/584821588.db2.gz NOUSHMPGQMUGLI-HIFRSBDPSA-N 2 0 298.431 -0.805 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000900712099 584823952 /nfs/dbraw/zinc/82/39/52/584823952.db2.gz SBOOTDMSBIKASR-SGMGOOAPSA-N 2 0 269.389 -0.148 20 0 CBADRP CN(C(=O)[C@]1(C)C[C@H](O)C[NH+]1C)[C@H]1CCC[N@H+](C)C1 ZINC000900833380 584829653 /nfs/dbraw/zinc/82/96/53/584829653.db2.gz WBVMLGAYHORAJX-OBJOEFQTSA-N 2 0 269.389 -0.006 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900926356 584833248 /nfs/dbraw/zinc/83/32/48/584833248.db2.gz GMLQOLDFPLLGFV-ZDUSSCGKSA-N 2 0 257.378 -0.147 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900980534 584836336 /nfs/dbraw/zinc/83/63/36/584836336.db2.gz MGLDESSHCCRSPB-WFASDCNBSA-N 2 0 299.415 -0.332 20 0 CBADRP C[N@@H+]1CCC[C@](O)(CC(=O)NCC[NH+]2CCC2)C1 ZINC000901181520 584853914 /nfs/dbraw/zinc/85/39/14/584853914.db2.gz SNNVTNKFPSHXMU-ZDUSSCGKSA-N 2 0 255.362 -0.345 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000901327017 584860962 /nfs/dbraw/zinc/86/09/62/584860962.db2.gz JWIRVCTXMUTWKW-YPMHNXCESA-N 2 0 257.378 -0.148 20 0 CBADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(CO)COCCN2C)[C@H](C)C1 ZINC000903278771 584889827 /nfs/dbraw/zinc/88/98/27/584889827.db2.gz HEFSJUHFXJPXNG-ILXRZTDVSA-N 2 0 285.432 -0.001 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)COCCN2C)CC[N@@H+]1C ZINC000903284303 584890012 /nfs/dbraw/zinc/89/00/12/584890012.db2.gz ZYBZRCBZWRFZER-MCIONIFRSA-N 2 0 271.405 -0.248 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000903422444 584890252 /nfs/dbraw/zinc/89/02/52/584890252.db2.gz CYJOLQWDKJKPOY-AGIUHOORSA-N 3 0 268.405 -0.371 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000903422445 584890300 /nfs/dbraw/zinc/89/03/00/584890300.db2.gz CYJOLQWDKJKPOY-UPJWGTAASA-N 3 0 268.405 -0.371 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903452318 584890643 /nfs/dbraw/zinc/89/06/43/584890643.db2.gz LARGCMBSVKRYMD-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP CON1CC[C@H]([N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1=O ZINC000903453755 584890646 /nfs/dbraw/zinc/89/06/46/584890646.db2.gz KOETXWFKINXVJG-NEPJUHHUSA-N 2 0 268.361 -0.872 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000903490629 584891760 /nfs/dbraw/zinc/89/17/60/584891760.db2.gz AONVLEARFHKLQA-FMSGJZPZSA-N 3 0 267.373 -0.192 20 0 CBADRP CC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)CC1 ZINC000903494737 584891809 /nfs/dbraw/zinc/89/18/09/584891809.db2.gz MJEVPZXVFQTYKA-TZMCWYRMSA-N 2 0 296.415 -0.406 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC000903493536 584891836 /nfs/dbraw/zinc/89/18/36/584891836.db2.gz UMZYLUQIQDKBEV-WTBMIXGQSA-N 2 0 267.329 -0.913 20 0 CBADRP COC[C@@H](C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1)OC ZINC000903494695 584891899 /nfs/dbraw/zinc/89/18/99/584891899.db2.gz LBNZAJPLIFLYDB-SFTQSGBHSA-N 2 0 286.372 -0.140 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000903519963 584892319 /nfs/dbraw/zinc/89/23/19/584892319.db2.gz CZODMTJPWKUIRF-ZYHUDNBSSA-N 2 0 275.418 -0.158 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)CCC[NH+]1CCCC1 ZINC000903529284 584892573 /nfs/dbraw/zinc/89/25/73/584892573.db2.gz UJKLJKNFZFRIFX-VXGBXAGGSA-N 2 0 275.418 0.000 20 0 CBADRP [NH3+]C[C@@]12CC[C@@H]1CCCN2S(=O)(=O)N1CC[NH2+]CC1 ZINC000903531442 584892732 /nfs/dbraw/zinc/89/27/32/584892732.db2.gz MBVXDXSFRDWRAX-RYUDHWBXSA-N 2 0 288.417 -0.660 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000903550437 584892904 /nfs/dbraw/zinc/89/29/04/584892904.db2.gz GAUYYABTMPTUTJ-NXEZZACHSA-N 2 0 261.391 -0.344 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000903561369 584893262 /nfs/dbraw/zinc/89/32/62/584893262.db2.gz PIKJMCWSHHWWGY-MVWJERBFSA-N 2 0 288.417 -0.603 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C1 ZINC000903713614 584895394 /nfs/dbraw/zinc/89/53/94/584895394.db2.gz XQBZHSSLFPQYMJ-RFGFWPKPSA-N 2 0 297.399 -0.423 20 0 CBADRP COCC(COC)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000903713165 584895440 /nfs/dbraw/zinc/89/54/40/584895440.db2.gz GPNQMTZIVPEITH-ZDUSSCGKSA-N 2 0 299.415 -0.208 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903716843 584895554 /nfs/dbraw/zinc/89/55/54/584895554.db2.gz UUPQRYWKNQBTGF-HNNXBMFYSA-N 3 0 296.459 -0.018 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903716845 584895716 /nfs/dbraw/zinc/89/57/16/584895716.db2.gz UUPQRYWKNQBTGF-OAHLLOKOSA-N 3 0 296.459 -0.018 20 0 CBADRP CC[N@@H+](CC(=O)NC)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903724992 584895964 /nfs/dbraw/zinc/89/59/64/584895964.db2.gz UGJLDCJEHJDFJU-AAEUAGOBSA-N 2 0 255.362 -0.177 20 0 CBADRP CC(=O)NC[C@@H]1CN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903729211 584896204 /nfs/dbraw/zinc/89/62/04/584896204.db2.gz KUJCFOWMLHOABC-RRFJBIMHSA-N 2 0 297.399 -0.408 20 0 CBADRP CC[C@@H]1C(=O)NCCN1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903730789 584896228 /nfs/dbraw/zinc/89/62/28/584896228.db2.gz ZHMAOPMYUCKZHP-SCRDCRAPSA-N 2 0 267.373 -0.035 20 0 CBADRP CN1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1=O ZINC000903730700 584896237 /nfs/dbraw/zinc/89/62/37/584896237.db2.gz YQAKLKCZKMQIKR-GFCCVEGCSA-N 2 0 267.373 -0.081 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000903735128 584896475 /nfs/dbraw/zinc/89/64/75/584896475.db2.gz IBNJAIACZUDCMR-NWDGAFQWSA-N 2 0 296.415 -0.265 20 0 CBADRP [NH3+]C[C@H]1CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903744518 584896728 /nfs/dbraw/zinc/89/67/28/584896728.db2.gz UIPJIEZBYSCDEI-OLZOCXBDSA-N 2 0 269.389 -0.195 20 0 CBADRP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903746829 584896967 /nfs/dbraw/zinc/89/69/67/584896967.db2.gz LSDCGDZWRUUICB-XJFOESAGSA-N 3 0 251.374 -0.094 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000903750326 584897418 /nfs/dbraw/zinc/89/74/18/584897418.db2.gz XLIOJVRUSGTXOB-QWHCGFSZSA-N 2 0 285.388 -0.720 20 0 CBADRP CN(C)C(=O)[C@@H]1C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903756450 584897686 /nfs/dbraw/zinc/89/76/86/584897686.db2.gz RUGYCPYMYBTXDG-VNHYZAJKSA-N 2 0 296.415 -0.883 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000903761493 584897834 /nfs/dbraw/zinc/89/78/34/584897834.db2.gz UWNFGXSFHGBESH-WDEREUQCSA-N 2 0 256.346 -0.029 20 0 CBADRP CC(=O)NCC[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903764710 584897957 /nfs/dbraw/zinc/89/79/57/584897957.db2.gz VGVZYFUMRZTRPG-STQMWFEESA-N 2 0 255.362 -0.177 20 0 CBADRP CC(=O)N[C@@H]1CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903768652 584897989 /nfs/dbraw/zinc/89/79/89/584897989.db2.gz OHZDIXBXQWIGEC-RDBSUJKOSA-N 2 0 267.373 -0.035 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903768045 584898118 /nfs/dbraw/zinc/89/81/18/584898118.db2.gz PWBUHZQDMXIZJI-VXGBXAGGSA-N 2 0 296.415 -0.265 20 0 CBADRP CN1C(=O)[C@H]2C[N@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C[C@H]2C1=O ZINC000903777908 584899309 /nfs/dbraw/zinc/89/93/09/584899309.db2.gz HFTDTFCWTGUBDJ-OHTBPHCPSA-N 2 0 293.367 -0.698 20 0 CBADRP CC[N@H+](CCC(N)=O)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903786210 584899692 /nfs/dbraw/zinc/89/96/92/584899692.db2.gz GGPIFJJDGMOGSB-YPMHNXCESA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000903790142 584899849 /nfs/dbraw/zinc/89/98/49/584899849.db2.gz SUJFIWQQDQSSLF-ZDUSSCGKSA-N 2 0 296.415 -0.264 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000903789753 584899851 /nfs/dbraw/zinc/89/98/51/584899851.db2.gz CQOJZTBSTZLHPU-QWHCGFSZSA-N 2 0 292.383 -0.591 20 0 CBADRP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000903830147 584901352 /nfs/dbraw/zinc/90/13/52/584901352.db2.gz USZKYEOKZYDWJU-RWMBFGLXSA-N 2 0 268.357 -0.145 20 0 CBADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000903843285 584901887 /nfs/dbraw/zinc/90/18/87/584901887.db2.gz HLCDENOTLGSBBN-AVGNSLFASA-N 3 0 266.389 -0.380 20 0 CBADRP C[NH2+]CCN(C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903872691 584902852 /nfs/dbraw/zinc/90/28/52/584902852.db2.gz AAWFNZILUQSVJE-LBPRGKRZSA-N 2 0 253.394 -0.003 20 0 CBADRP O=C(CCN1CCC[C@@]12CC[NH2+]C2)N1CC[NH2+]CC1 ZINC000903868486 584902857 /nfs/dbraw/zinc/90/28/57/584902857.db2.gz ZGKLFLJFVUHERZ-AWEZNQCLSA-N 2 0 266.389 -0.364 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000903873833 584902887 /nfs/dbraw/zinc/90/28/87/584902887.db2.gz MNBKNYUILPASIY-ZJUUUORDSA-N 2 0 278.347 -0.244 20 0 CBADRP Cc1c(C[C@H](C[NH3+])CN2CC[C@@H]([NH3+])C2)cnn1C ZINC000903873933 584902901 /nfs/dbraw/zinc/90/29/01/584902901.db2.gz OHPZKWHIPIIVGJ-DGCLKSJQSA-N 2 0 251.378 -0.121 20 0 CBADRP Cc1c(C[C@@H](C[NH3+])CN2CC[C@@H]([NH3+])C2)cnn1C ZINC000903873934 584902978 /nfs/dbraw/zinc/90/29/78/584902978.db2.gz OHPZKWHIPIIVGJ-WCQYABFASA-N 2 0 251.378 -0.121 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903881800 584903717 /nfs/dbraw/zinc/90/37/17/584903717.db2.gz IVYRZDTWYMTKPQ-MJBXVCDLSA-N 2 0 269.389 -0.325 20 0 CBADRP CC[C@H]1C(=O)NCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000903883413 584903783 /nfs/dbraw/zinc/90/37/83/584903783.db2.gz VPTYAKFYGJUMCF-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP CNC(=O)[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903903964 584904371 /nfs/dbraw/zinc/90/43/71/584904371.db2.gz YTRIQKXCJICPFE-WVMKXHBISA-N 2 0 267.373 -0.036 20 0 CBADRP NS(=O)(=O)[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903908919 584904461 /nfs/dbraw/zinc/90/44/61/584904461.db2.gz PYSPBJHPYYXBIP-FGNRJIRKSA-N 2 0 273.402 -0.120 20 0 CBADRP CC[NH2+]CCNCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903918122 584904560 /nfs/dbraw/zinc/90/45/60/584904560.db2.gz SPVOYPBBSKISES-NSHDSACASA-N 2 0 252.366 -0.098 20 0 CBADRP F[C@@H]1C[NH2+][C@H](CNCc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903918829 584904703 /nfs/dbraw/zinc/90/47/03/584904703.db2.gz JBQVYGFLSQHMOU-SDDRHHMPSA-N 2 0 282.367 -0.008 20 0 CBADRP Cc1c(C[C@@H](C[NH3+])CN2CCCO[C@@H](C[NH3+])C2)cnn1C ZINC000903930274 584904730 /nfs/dbraw/zinc/90/47/30/584904730.db2.gz WDBKDTVPYBYDFR-ZFWWWQNUSA-N 2 0 295.431 -0.104 20 0 CBADRP Cc1c(C[C@H](C[NH3+])CN2CCCO[C@@H](C[NH3+])C2)cnn1C ZINC000903930272 584904781 /nfs/dbraw/zinc/90/47/81/584904781.db2.gz WDBKDTVPYBYDFR-HIFRSBDPSA-N 2 0 295.431 -0.104 20 0 CBADRP C[NH2+]C[C@@H](C)NCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903933246 584904881 /nfs/dbraw/zinc/90/48/81/584904881.db2.gz NDKQIWSZVGVEQR-GHMZBOCLSA-N 2 0 252.366 -0.100 20 0 CBADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000903969587 584905240 /nfs/dbraw/zinc/90/52/40/584905240.db2.gz HIDVPIIJHUESAJ-FRRDWIJNSA-N 2 0 289.445 -0.117 20 0 CBADRP CC(C)[C@@H](C[NH3+])C[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000903970022 584905388 /nfs/dbraw/zinc/90/53/88/584905388.db2.gz OWTYDVLIODCSRL-RYUDHWBXSA-N 2 0 277.434 -0.416 20 0 CBADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+](CCO)C1 ZINC000970744506 617185326 /nfs/dbraw/zinc/18/53/26/617185326.db2.gz GDUGTXNNAKVSDB-LLVKDONJSA-N 2 0 267.373 -0.489 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000969170536 614093395 /nfs/dbraw/zinc/09/33/95/614093395.db2.gz SMLKQORXJZNFIA-OLZOCXBDSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC000969845192 614189237 /nfs/dbraw/zinc/18/92/37/614189237.db2.gz VUEPKXXTDFNNLN-QJPTWQEYSA-N 2 0 284.404 -0.363 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000970176651 614331472 /nfs/dbraw/zinc/33/14/72/614331472.db2.gz FOWQQSYCNPOLTJ-CHWSQXEVSA-N 2 0 296.415 -0.075 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000970176652 614332065 /nfs/dbraw/zinc/33/20/65/614332065.db2.gz FOWQQSYCNPOLTJ-OLZOCXBDSA-N 2 0 296.415 -0.075 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000969675233 614668148 /nfs/dbraw/zinc/66/81/48/614668148.db2.gz RNZMBCSBMSWAPP-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000968850510 614677958 /nfs/dbraw/zinc/67/79/58/614677958.db2.gz BLXOXUKZFSKYBI-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958375259 615422075 /nfs/dbraw/zinc/42/20/75/615422075.db2.gz SIUFCUZUHQAGSQ-OLZOCXBDSA-N 2 0 269.389 -0.243 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CCO)C2)CC[N@@H+]1C ZINC000968738110 615584426 /nfs/dbraw/zinc/58/44/26/615584426.db2.gz MTRFPQSIQUZLPH-FRRDWIJNSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC000969076892 615603008 /nfs/dbraw/zinc/60/30/08/615603008.db2.gz FANLVGJIIJWUMC-JHJVBQTASA-N 2 0 296.415 -0.252 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC000969074614 615603313 /nfs/dbraw/zinc/60/33/13/615603313.db2.gz LANRRYMPFWGQQT-GMTAPVOTSA-N 2 0 270.377 -0.609 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N1CCC[N@H+](CCO)CC1)C1CC1 ZINC000981333967 615971654 /nfs/dbraw/zinc/97/16/54/615971654.db2.gz WKCOGMTUCQEQGC-CYBMUJFWSA-N 2 0 269.389 -0.147 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCO)C1)C1CC1 ZINC000971677374 615972042 /nfs/dbraw/zinc/97/20/42/615972042.db2.gz JQNDZBQUTKJZOV-CHWSQXEVSA-N 2 0 269.389 -0.148 20 0 CBADRP C[NH+](C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCO)C1)C1CC1 ZINC000971677377 615988390 /nfs/dbraw/zinc/98/83/90/615988390.db2.gz JQNDZBQUTKJZOV-STQMWFEESA-N 2 0 269.389 -0.148 20 0 CBADRP CN(CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000971802097 616055760 /nfs/dbraw/zinc/05/57/60/616055760.db2.gz YTGYAJNGRRUBNV-NWDGAFQWSA-N 2 0 282.388 -0.511 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC[C@@H]([N@H+](C)CCO)C2)CCC1 ZINC000971673954 616109587 /nfs/dbraw/zinc/10/95/87/616109587.db2.gz KWROMKGGXATYCP-GFCCVEGCSA-N 2 0 269.389 -0.004 20 0 CBADRP C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000971201085 616111080 /nfs/dbraw/zinc/11/10/80/616111080.db2.gz LJKQIVIVBBBZCX-VXGBXAGGSA-N 2 0 255.362 -0.394 20 0 CBADRP C[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCO)C2)CC1 ZINC000969815552 616166693 /nfs/dbraw/zinc/16/66/93/616166693.db2.gz WJXOBGXIIJUIQW-GFCCVEGCSA-N 2 0 255.362 -0.489 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000978352183 616180227 /nfs/dbraw/zinc/18/02/27/616180227.db2.gz SQXRCAQDWQHGHJ-FVCCEPFGSA-N 2 0 294.399 -0.750 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCCN1CC(N)=O ZINC000968780237 616210931 /nfs/dbraw/zinc/21/09/31/616210931.db2.gz BETDDQDBLYFUAJ-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC000983326457 616212326 /nfs/dbraw/zinc/21/23/26/616212326.db2.gz PTMYRLWEQOHSPO-LPWJVIDDSA-N 2 0 294.399 -0.547 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCN(CC(N)=O)CC1 ZINC000981369176 616213270 /nfs/dbraw/zinc/21/32/70/616213270.db2.gz FEZVUGXONNZEEC-ZDUSSCGKSA-N 2 0 296.415 -0.120 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCN(CCO)CC1 ZINC000948858378 616213306 /nfs/dbraw/zinc/21/33/06/616213306.db2.gz CMZNFLNORWBLHM-ZDUSSCGKSA-N 2 0 269.389 -0.003 20 0 CBADRP CN1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCO)CC2(C)C)C1 ZINC000972991276 616259734 /nfs/dbraw/zinc/25/97/34/616259734.db2.gz HQOQZLNRANXLHX-NWDGAFQWSA-N 2 0 285.388 -0.864 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CN(CC(N)=O)CC2(C)C)C1 ZINC000977599315 616267441 /nfs/dbraw/zinc/26/74/41/616267441.db2.gz LWPMEGJCCFOPAX-MNOVXSKESA-N 2 0 282.388 -0.750 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000962592638 616267655 /nfs/dbraw/zinc/26/76/55/616267655.db2.gz SSIXVSGSRZVEGF-NDBYEHHHSA-N 2 0 267.373 -0.633 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(Cc4cnon4)C[C@H]32)C1 ZINC000962582897 616267679 /nfs/dbraw/zinc/26/76/79/616267679.db2.gz BPXOKGRINHQHMF-XEZLXBQYSA-N 2 0 291.355 -0.432 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC000970712762 616363412 /nfs/dbraw/zinc/36/34/12/616363412.db2.gz RMZVBROKJHZKBX-QWHCGFSZSA-N 2 0 294.399 -0.639 20 0 CBADRP CN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC000969595217 616417680 /nfs/dbraw/zinc/41/76/80/616417680.db2.gz PJVIQIXOJGCJJT-FRRDWIJNSA-N 2 0 294.399 -0.498 20 0 CBADRP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC000958415449 616467638 /nfs/dbraw/zinc/46/76/38/616467638.db2.gz VEYBZNKNTAGEIZ-QNWHQSFQSA-N 2 0 267.373 -0.227 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944919735 616623275 /nfs/dbraw/zinc/62/32/75/616623275.db2.gz QGUDLHKOOQFVMJ-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC000977918514 616639927 /nfs/dbraw/zinc/63/99/27/616639927.db2.gz HTPYWHAVEITPEP-FVCCEPFGSA-N 2 0 294.399 -0.879 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN(C)C1CC[NH2+]CC1 ZINC000311033683 656145219 /nfs/dbraw/zinc/14/52/19/656145219.db2.gz NTULXYAHKDYRJN-ZDUSSCGKSA-N 2 0 259.394 -0.391 20 0 CBADRP CCC1([NH3+])CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923674097 658394038 /nfs/dbraw/zinc/39/40/38/658394038.db2.gz LDJWOCQGFWTKID-UHFFFAOYSA-N 2 0 276.406 -0.660 20 0 CBADRP C[C@H]1[C@H](NC(=O)NCCOCC[NH+](C)C)CC[N@@H+]1C ZINC000922145262 658009250 /nfs/dbraw/zinc/00/92/50/658009250.db2.gz SFSKYMPLVUNHMS-NWDGAFQWSA-N 2 0 272.393 -0.044 20 0 CBADRP CCO[C@H](CNS(=O)(=O)[C@@H]1CCC[NH2+]C1)C[NH+](C)C ZINC000923675542 658395482 /nfs/dbraw/zinc/39/54/82/658395482.db2.gz CLYGTKDTDDQTKB-VXGBXAGGSA-N 2 0 293.433 -0.376 20 0 CBADRP [NH3+][C@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC000923678354 658396233 /nfs/dbraw/zinc/39/62/33/658396233.db2.gz WXTBDYRZATZCMJ-YUMQZZPRSA-N 2 0 287.307 -0.501 20 0 CBADRP [NH3+]CC(C[NH3+])NCC(=O)Nc1ccc(F)c(F)c1 ZINC000923352682 658223964 /nfs/dbraw/zinc/22/39/64/658223964.db2.gz QJBBQNYKAUXHHI-UHFFFAOYSA-N 2 0 258.272 -0.221 20 0 CBADRP C[C@@H](NC(C[NH3+])C[NH3+])C(=O)NCc1ccc(F)cc1 ZINC000923350836 658224508 /nfs/dbraw/zinc/22/45/08/658224508.db2.gz DZLPGDWONCHLQP-SECBINFHSA-N 2 0 268.336 -0.294 20 0 CBADRP CCOc1ccc(CN(C)C(=O)CNC(C[NH3+])C[NH3+])cc1 ZINC000923351488 658224877 /nfs/dbraw/zinc/22/48/77/658224877.db2.gz ISEASQJTRGBWKR-UHFFFAOYSA-N 2 0 294.399 -0.081 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923350960 658224923 /nfs/dbraw/zinc/22/49/23/658224923.db2.gz JNNQATZJOFOOOF-NEPJUHHUSA-N 2 0 283.372 -0.798 20 0 CBADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCN1C(=O)CCC1=O)CC2 ZINC000923449716 658285697 /nfs/dbraw/zinc/28/56/97/658285697.db2.gz QGZCNONYLMAGFH-GFCCVEGCSA-N 2 0 295.383 -0.035 20 0 CBADRP [NH3+]CCOCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451694 658286560 /nfs/dbraw/zinc/28/65/60/658286560.db2.gz PQESEWZDHHPZBW-GFCCVEGCSA-N 3 0 257.378 -0.209 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923456709 658286825 /nfs/dbraw/zinc/28/68/25/658286825.db2.gz FBMSMYCMGNUYTJ-BFHYXJOUSA-N 2 0 271.405 -0.391 20 0 CBADRP CS(=O)(=O)NCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923450848 658287245 /nfs/dbraw/zinc/28/72/45/658287245.db2.gz XPQWGVHEZWCNLR-LLVKDONJSA-N 2 0 291.417 -0.635 20 0 CBADRP Cn1nnc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)n1 ZINC000923453568 658287747 /nfs/dbraw/zinc/28/77/47/658287747.db2.gz YGFWZTKECNGBEN-JTQLQIEISA-N 2 0 266.349 -0.460 20 0 CBADRP CN(C)C(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449725 658287857 /nfs/dbraw/zinc/28/78/57/658287857.db2.gz BLLLDAPLFUESCL-LLVKDONJSA-N 2 0 255.362 -0.096 20 0 CBADRP CCNC(=O)NC(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923455826 658288750 /nfs/dbraw/zinc/28/87/50/658288750.db2.gz MXOANPBIHWEMEE-NSHDSACASA-N 2 0 298.387 -0.338 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923485223 658303948 /nfs/dbraw/zinc/30/39/48/658303948.db2.gz QWSIWFBLTXSJJY-NSHDSACASA-N 2 0 271.361 -0.321 20 0 CBADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](CC[NH3+])C2)CC1 ZINC000923484670 658304097 /nfs/dbraw/zinc/30/40/97/658304097.db2.gz AIRODVJQTCOYKO-GXTWGEPZSA-N 2 0 296.415 -0.264 20 0 CBADRP [NH3+]CC[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000923482293 658305309 /nfs/dbraw/zinc/30/53/09/658305309.db2.gz DDMBAVNQRIYBQX-GFCCVEGCSA-N 3 0 254.378 -0.521 20 0 CBADRP C[NH+](C)CC[C@@H](NS(=O)(=O)C1C[NH2+]C1)c1cccnc1 ZINC000923677354 658397255 /nfs/dbraw/zinc/39/72/55/658397255.db2.gz UMFCPRKRMBXWLJ-CYBMUJFWSA-N 2 0 298.412 -0.034 20 0 CBADRP [NH3+][C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)C[C@H]1C(F)(F)F ZINC000923677583 658397350 /nfs/dbraw/zinc/39/73/50/658397350.db2.gz KVVCDABHMLBZFA-RNFRBKRXSA-N 2 0 273.280 -0.891 20 0 CBADRP [NH3+]CCc1ccc(CNS(=O)(=O)C2C[NH2+]C2)cc1 ZINC000923564642 658328225 /nfs/dbraw/zinc/32/82/25/658328225.db2.gz ASHZKYIXZWTPCK-UHFFFAOYSA-N 2 0 269.370 -0.421 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923562959 658328506 /nfs/dbraw/zinc/32/85/06/658328506.db2.gz GUHUPHPZYNPNKD-NWDGAFQWSA-N 2 0 275.418 0.000 20 0 CBADRP O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000923565364 658329830 /nfs/dbraw/zinc/32/98/30/658329830.db2.gz AKMGWMMBPFPJBZ-MBYGNEARSA-N 2 0 273.402 -0.059 20 0 CBADRP CCC([NH3+])(CC)CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923572712 658334147 /nfs/dbraw/zinc/33/41/47/658334147.db2.gz FVEQBVFYFSGJSM-UHFFFAOYSA-N 2 0 264.395 -0.757 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923572257 658335384 /nfs/dbraw/zinc/33/53/84/658335384.db2.gz CGYXPDLMGMABPF-WDEREUQCSA-N 2 0 261.391 -0.248 20 0 CBADRP C[C@@H]1C[C@H](N(C)S(=O)(=O)N2CC[NH2+]CC2)CC[N@@H+]1C ZINC000923619587 658356377 /nfs/dbraw/zinc/35/63/77/658356377.db2.gz XNDOTSZNNMCZIK-VXGBXAGGSA-N 2 0 290.433 -0.449 20 0 CBADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)C1C[NH2+]C1 ZINC000923622398 658357408 /nfs/dbraw/zinc/35/74/08/658357408.db2.gz XOWFGOBFVVEDFQ-GHMZBOCLSA-N 2 0 273.402 -0.153 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000923636204 658368508 /nfs/dbraw/zinc/36/85/08/658368508.db2.gz RBWBCNPEAIIUIF-UHFFFAOYSA-N 2 0 273.402 -0.246 20 0 CBADRP [NH3+][C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)C[C@H]1c1ccccc1 ZINC000923638997 658369489 /nfs/dbraw/zinc/36/94/89/658369489.db2.gz FDNQJWSEIJLXLD-QWHCGFSZSA-N 2 0 281.381 -0.285 20 0 CBADRP O=S(=O)(N[C@@H]1CCCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000923640904 658370253 /nfs/dbraw/zinc/37/02/53/658370253.db2.gz IXUBEVVLHXOGBV-GHMZBOCLSA-N 2 0 261.391 -0.200 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000923639945 658371455 /nfs/dbraw/zinc/37/14/55/658371455.db2.gz HDSJDRWOZJYEOO-LLVKDONJSA-N 2 0 273.402 -0.391 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923640002 658372148 /nfs/dbraw/zinc/37/21/48/658372148.db2.gz WMQLUOPTJLHQCG-AXFHLTTASA-N 2 0 261.391 -0.202 20 0 CBADRP [NH3+]Cc1ccc(CNS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000923652413 658379425 /nfs/dbraw/zinc/37/94/25/658379425.db2.gz KUZXIHWMXCXGGA-UHFFFAOYSA-N 2 0 284.385 -0.615 20 0 CBADRP [NH3+]C1(CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000923654421 658380239 /nfs/dbraw/zinc/38/02/39/658380239.db2.gz HOONKOZGJAHXNO-SNVBAGLBSA-N 2 0 261.391 -0.071 20 0 CBADRP OCc1cn(CCC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)nn1 ZINC000925669004 658864801 /nfs/dbraw/zinc/86/48/01/658864801.db2.gz NJYVWPIUJAOUAY-KYYPQDQFSA-N 2 0 277.372 -0.254 20 0 CBADRP OCCC[N@@H+]1CCC[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925678130 658864862 /nfs/dbraw/zinc/86/48/62/658864862.db2.gz CNERUWYWVVMZOE-STQMWFEESA-N 2 0 257.378 -0.589 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1NCC[C@@H]1CNCCS1(=O)=O ZINC000925792248 658871667 /nfs/dbraw/zinc/87/16/67/658871667.db2.gz VKVSBOPOUPRYGN-QJPTWQEYSA-N 2 0 275.418 -0.507 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000928551128 659036578 /nfs/dbraw/zinc/03/65/78/659036578.db2.gz LDUIUUSRLUSBKY-RYUDHWBXSA-N 2 0 253.346 -0.473 20 0 CBADRP OC[C@H](O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000930806008 659340489 /nfs/dbraw/zinc/34/04/89/659340489.db2.gz LWCVKSDBPGBDTG-CYBMUJFWSA-N 2 0 251.330 -0.053 20 0 CBADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439752 659465553 /nfs/dbraw/zinc/46/55/53/659465553.db2.gz YYGFMHDEBHOFGD-MJBXVCDLSA-N 2 0 272.389 -0.106 20 0 CBADRP CNS(=O)(=O)CCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931485462 659471175 /nfs/dbraw/zinc/47/11/75/659471175.db2.gz JDIYDBDRCIJELL-UHFFFAOYSA-N 2 0 293.433 -0.686 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)[NH+]1CCCCC1 ZINC000043799591 656008859 /nfs/dbraw/zinc/00/88/59/656008859.db2.gz NREKQHYEWACOTK-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC2CC2)C1 ZINC000063179809 656034356 /nfs/dbraw/zinc/03/43/56/656034356.db2.gz FWIAPKJODZJSEH-GFCCVEGCSA-N 2 0 282.388 -0.701 20 0 CBADRP [NH3+][C@H](CC1CC1)C(=O)NCCCN1CCOCC1 ZINC000083411652 656050677 /nfs/dbraw/zinc/05/06/77/656050677.db2.gz UEEQPIYMJNTRTK-GFCCVEGCSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H](CNC(=O)c1cn(CC[NH3+])nn1)[NH+]1CCCCC1 ZINC000089699863 656056055 /nfs/dbraw/zinc/05/60/55/656056055.db2.gz PZMACLIEWVTDFG-NSHDSACASA-N 2 0 280.376 -0.159 20 0 CBADRP O[C@H](CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C[NH+]1CCCC1 ZINC000091669924 656058778 /nfs/dbraw/zinc/05/87/78/656058778.db2.gz HWDXRDDAWKBHDY-RBSFLKMASA-N 2 0 283.416 -0.104 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091667912 656059208 /nfs/dbraw/zinc/05/92/08/656059208.db2.gz BNXRJKWPXBCNNV-IJLUTSLNSA-N 2 0 255.362 -0.051 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000092631712 656059648 /nfs/dbraw/zinc/05/96/48/656059648.db2.gz IRRQLUKEKCWWCD-NSHDSACASA-N 2 0 276.406 -0.838 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000132834180 656068940 /nfs/dbraw/zinc/06/89/40/656068940.db2.gz IGBISWHXHAEUQQ-CYBMUJFWSA-N 2 0 269.389 -0.099 20 0 CBADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000158831217 656076722 /nfs/dbraw/zinc/07/67/22/656076722.db2.gz ZQXSYMCDCKSUEF-QWHCGFSZSA-N 2 0 268.405 -0.085 20 0 CBADRP C[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000178880819 656088907 /nfs/dbraw/zinc/08/89/07/656088907.db2.gz MAWHPOMWZCIXQT-CHWSQXEVSA-N 2 0 268.405 -0.119 20 0 CBADRP C[C@@H](CNS(=O)(=O)N1CC[NH2+]CC1)[N@H+](C)C1CC1 ZINC000220260069 656105101 /nfs/dbraw/zinc/10/51/01/656105101.db2.gz RMUICEDPDYFMRA-JTQLQIEISA-N 2 0 276.406 -0.791 20 0 CBADRP Cn1cc(CC[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cn1 ZINC000226419334 656107283 /nfs/dbraw/zinc/10/72/83/656107283.db2.gz SOTVKUXUFSLUDS-CYBMUJFWSA-N 2 0 279.388 -0.251 20 0 CBADRP CN1CCN(Cc2ccc(OCC(N)=O)cc2)[C@@H](C[NH3+])C1 ZINC000226605718 656107735 /nfs/dbraw/zinc/10/77/35/656107735.db2.gz RMPMPMNDONBVSF-ZDUSSCGKSA-N 2 0 292.383 -0.375 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000227392837 656108371 /nfs/dbraw/zinc/10/83/71/656108371.db2.gz ULQBURJLSDKKHO-SRVKXCTJSA-N 2 0 255.362 -0.097 20 0 CBADRP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229256332 656110818 /nfs/dbraw/zinc/11/08/18/656110818.db2.gz QWCGAEVYDLILAN-VHSXEESVSA-N 2 0 256.350 -0.109 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000250254489 656122066 /nfs/dbraw/zinc/12/20/66/656122066.db2.gz IXGATTNYYAFMCK-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)CC[C@H]1C[NH3+] ZINC000251768661 656122597 /nfs/dbraw/zinc/12/25/97/656122597.db2.gz MFZNCADMCQOQMV-NEPJUHHUSA-N 2 0 255.362 -0.238 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000252600329 656122880 /nfs/dbraw/zinc/12/28/80/656122880.db2.gz LMIDITYHLLQYSN-RNJOBUHISA-N 2 0 267.373 -0.036 20 0 CBADRP C[C@]1(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH2+]C1 ZINC000252539987 656122990 /nfs/dbraw/zinc/12/29/90/656122990.db2.gz CBQORJXYPGISQS-SCRDCRAPSA-N 2 0 267.373 -0.035 20 0 CBADRP O[C@H](CNC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C[NH+]1CCCC1 ZINC000252544190 656123328 /nfs/dbraw/zinc/12/33/28/656123328.db2.gz HWDXRDDAWKBHDY-ZNMIVQPWSA-N 2 0 283.416 -0.104 20 0 CBADRP CNC(=O)CN1CCC(NC(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000261644737 656125318 /nfs/dbraw/zinc/12/53/18/656125318.db2.gz IZRBWOBMMJYATE-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000261921490 656127352 /nfs/dbraw/zinc/12/73/52/656127352.db2.gz XRLWWBDZOVFIAD-GFCCVEGCSA-N 2 0 282.388 -0.510 20 0 CBADRP OCC[N@H+](CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC000262315170 656130600 /nfs/dbraw/zinc/13/06/00/656130600.db2.gz ZLOWHSWTMKOPGD-UHFFFAOYSA-N 2 0 271.405 -0.388 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH2+]CC1(C)C ZINC000311035519 656145068 /nfs/dbraw/zinc/14/50/68/656145068.db2.gz OBHSYTNBGXABKU-GFCCVEGCSA-N 2 0 259.394 -0.391 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C[C@@H](O)C[N@H+](C)CCOC ZINC000311456047 656145431 /nfs/dbraw/zinc/14/54/31/656145431.db2.gz KOJATYKQGUZXOB-KGLIPLIRSA-N 2 0 273.421 -0.001 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000311169812 656145440 /nfs/dbraw/zinc/14/54/40/656145440.db2.gz RZFYWDUEFOTBCM-FRRDWIJNSA-N 2 0 259.394 -0.405 20 0 CBADRP COCCN(C)C[C@@H](O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000311667225 656146011 /nfs/dbraw/zinc/14/60/11/656146011.db2.gz GQJPJQVPPRMRQX-GXTWGEPZSA-N 2 0 273.421 -0.015 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000311752069 656146469 /nfs/dbraw/zinc/14/64/69/656146469.db2.gz VBYIZVACTFDCOD-MJBXVCDLSA-N 2 0 273.421 -0.015 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000311972167 656146485 /nfs/dbraw/zinc/14/64/85/656146485.db2.gz BIXJAZQRVLOYMD-HZSPNIEDSA-N 2 0 271.405 -0.391 20 0 CBADRP COCCN(C)C[C@H](O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000311667227 656146512 /nfs/dbraw/zinc/14/65/12/656146512.db2.gz GQJPJQVPPRMRQX-JSGCOSHPSA-N 2 0 273.421 -0.015 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000312971240 656147379 /nfs/dbraw/zinc/14/73/79/656147379.db2.gz KMHJMUVSNVJBRX-KKUMJFAQSA-N 2 0 285.432 -0.014 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)C1CC[NH+](C)CC1 ZINC000337552604 656151469 /nfs/dbraw/zinc/15/14/69/656151469.db2.gz CKMGKJJXBMVCEV-CYBMUJFWSA-N 2 0 257.378 -0.243 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC000353428798 656162038 /nfs/dbraw/zinc/16/20/38/656162038.db2.gz FFDOASNGSLNSGX-KBPBESRZSA-N 2 0 299.415 -0.068 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419131292 656167089 /nfs/dbraw/zinc/16/70/89/656167089.db2.gz CHXOBNGRDSGKHT-SWLSCSKDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(CCN3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702344164 656180279 /nfs/dbraw/zinc/18/02/79/656180279.db2.gz UARSFIRYTWBZPH-KGLIPLIRSA-N 2 0 252.406 -0.225 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(S(=O)(=O)C3C[NH2+]C3)C[C@]2(C)C1 ZINC000702395729 656180642 /nfs/dbraw/zinc/18/06/42/656180642.db2.gz WHODFJTVAOTJQU-KOLCDFICSA-N 2 0 259.375 -0.829 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000702415512 656180823 /nfs/dbraw/zinc/18/08/23/656180823.db2.gz BMSPCKFIGOBGAS-AGIUHOORSA-N 2 0 268.405 -0.182 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000702424652 656181420 /nfs/dbraw/zinc/18/14/20/656181420.db2.gz ZCTOAGALRHJOFH-SDDRHHMPSA-N 2 0 254.378 -0.382 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000702424655 656181551 /nfs/dbraw/zinc/18/15/51/656181551.db2.gz ZCTOAGALRHJOFH-SRVKXCTJSA-N 2 0 254.378 -0.382 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000703153687 656183151 /nfs/dbraw/zinc/18/31/51/656183151.db2.gz RCPYMTQHLFWJIF-KKOKHZNYSA-N 2 0 269.345 -0.918 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)C[NH2+]C2CC2)C[C@H]1C[NH+](C)C ZINC000705822196 656186682 /nfs/dbraw/zinc/18/66/82/656186682.db2.gz CESJXPBAKDCKLU-CHWSQXEVSA-N 3 0 282.432 -0.064 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000705967881 656187467 /nfs/dbraw/zinc/18/74/67/656187467.db2.gz NIPDZSFPFOASMS-JHJVBQTASA-N 3 0 270.421 -0.079 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000705889078 656187714 /nfs/dbraw/zinc/18/77/14/656187714.db2.gz LBKLOUZFUSNLMB-JHJVBQTASA-N 3 0 270.421 -0.221 20 0 CBADRP CC[NH2+][C@H](C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000707966060 656190793 /nfs/dbraw/zinc/19/07/93/656190793.db2.gz KRGSHRXXCBEITG-UTUOFQBUSA-N 2 0 255.362 -0.036 20 0 CBADRP OCC[NH2+][C@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000708591035 656194306 /nfs/dbraw/zinc/19/43/06/656194306.db2.gz PRAOONJWSNLJSZ-UONOGXRCSA-N 2 0 271.405 -0.511 20 0 CBADRP O=C(CCC1C[NH2+]C1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000709443197 656195688 /nfs/dbraw/zinc/19/56/88/656195688.db2.gz CDWPVGJZHNEUMB-STQMWFEESA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(CCC1C[NH2+]C1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000709443193 656195753 /nfs/dbraw/zinc/19/57/53/656195753.db2.gz CDWPVGJZHNEUMB-QWHCGFSZSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH+](C)CC1(O)CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000710607298 656199053 /nfs/dbraw/zinc/19/90/53/656199053.db2.gz OBQIQCSJAVICPV-GFCCVEGCSA-N 2 0 258.362 -0.210 20 0 CBADRP C[C@@H](C(=O)N(C)C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710627307 656199077 /nfs/dbraw/zinc/19/90/77/656199077.db2.gz PZABOJVZMQESFG-NSHDSACASA-N 2 0 257.378 -0.148 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H]2CC[N@H+](C)C2)C[NH2+]CCO1 ZINC000710755082 656201001 /nfs/dbraw/zinc/20/10/01/656201001.db2.gz KZVDDPWCKSVNCY-AAEUAGOBSA-N 2 0 271.361 -0.941 20 0 CBADRP COC[C@]1(C(=O)NCC[NH+]2CCCCC2)C[NH2+]CCO1 ZINC000710782925 656201568 /nfs/dbraw/zinc/20/15/68/656201568.db2.gz JJSLENYULYCHQE-AWEZNQCLSA-N 2 0 285.388 -0.407 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@]2(COC)C[NH2+]CCO2)C1 ZINC000710782145 656201577 /nfs/dbraw/zinc/20/15/77/656201577.db2.gz GTJIPLRVTROCDB-TZMCWYRMSA-N 2 0 285.388 -0.551 20 0 CBADRP C[C@]1(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C[NH2+]CCO1 ZINC000710784235 656201835 /nfs/dbraw/zinc/20/18/35/656201835.db2.gz QGEKEUBNVKGTBM-OUCADQQQSA-N 2 0 283.372 -0.656 20 0 CBADRP COC[C@@]1(C(=O)N2CCC[C@@H]([NH+](C)C)C2)C[NH2+]CCO1 ZINC000710791861 656202384 /nfs/dbraw/zinc/20/23/84/656202384.db2.gz YSVBYRVGBVCQHM-TZMCWYRMSA-N 2 0 285.388 -0.456 20 0 CBADRP COC[C@@]1(C(=O)N2CCC[C@H]([NH+](C)C)C2)C[NH2+]CCO1 ZINC000710791855 656202742 /nfs/dbraw/zinc/20/27/42/656202742.db2.gz YSVBYRVGBVCQHM-GXTWGEPZSA-N 2 0 285.388 -0.456 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[NH2+]CCO1 ZINC000710789906 656203002 /nfs/dbraw/zinc/20/30/02/656203002.db2.gz QTCOWUWWMZHWMI-SCRDCRAPSA-N 2 0 285.388 -0.410 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H](C)CC[NH+](C)C)C[NH2+]CCO1 ZINC000710840279 656204401 /nfs/dbraw/zinc/20/44/01/656204401.db2.gz YJNJUVJXJNNRLD-WCQYABFASA-N 2 0 273.377 -0.552 20 0 CBADRP COC[C@@]1(C(=O)NCC(C)(C)C[NH+](C)C)C[NH2+]CCO1 ZINC000710832346 656204599 /nfs/dbraw/zinc/20/45/99/656204599.db2.gz VGWPUBPHOXWJTE-CQSZACIVSA-N 2 0 287.404 -0.305 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000711318062 656207166 /nfs/dbraw/zinc/20/71/66/656207166.db2.gz SZOMQQROGWQOLF-GFCCVEGCSA-N 2 0 268.405 -0.404 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711396130 656208321 /nfs/dbraw/zinc/20/83/21/656208321.db2.gz RXBODCQEJFINND-NSHDSACASA-N 2 0 257.378 -0.074 20 0 CBADRP [NH3+]CCCOC1CC[NH+](CCn2cnnn2)CC1 ZINC000712614331 656210860 /nfs/dbraw/zinc/21/08/60/656210860.db2.gz IBAMYRCHRYJBHB-UHFFFAOYSA-N 2 0 254.338 -0.497 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713205480 656211832 /nfs/dbraw/zinc/21/18/32/656211832.db2.gz KGDZJJSQPWJQDZ-MDZLAQPJSA-N 2 0 255.362 -0.192 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715579879 656220170 /nfs/dbraw/zinc/22/01/70/656220170.db2.gz RPFXPEGQROWMEQ-UTUOFQBUSA-N 2 0 256.394 -0.136 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)C2C[NH2+]C2)C1 ZINC000715540945 656220344 /nfs/dbraw/zinc/22/03/44/656220344.db2.gz URWQDUIGUPAELQ-VHSXEESVSA-N 2 0 261.391 -0.250 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000715874777 656220866 /nfs/dbraw/zinc/22/08/66/656220866.db2.gz MARFAWBQQRXEKM-CYBMUJFWSA-N 2 0 253.346 -0.735 20 0 CBADRP COC(=O)NCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000877199595 656245805 /nfs/dbraw/zinc/24/58/05/656245805.db2.gz XBEQEXDEEAKPGG-UHFFFAOYSA-N 2 0 293.327 -0.214 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000877199515 656245828 /nfs/dbraw/zinc/24/58/28/656245828.db2.gz UNWJFTYNHVUAMB-LBPRGKRZSA-N 2 0 292.387 -0.681 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877384027 656246787 /nfs/dbraw/zinc/24/67/87/656246787.db2.gz CQOOOIBXMXVMJM-DGCLKSJQSA-N 2 0 252.362 -0.708 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000884908799 656257711 /nfs/dbraw/zinc/25/77/11/656257711.db2.gz FAXXAOCLTVJGKL-AVGNSLFASA-N 2 0 296.415 -0.170 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NC[C@H]1CC[NH+]1CC ZINC000890065956 656269647 /nfs/dbraw/zinc/26/96/47/656269647.db2.gz OJMNRVHDDKNDQY-GFCCVEGCSA-N 2 0 272.393 -0.306 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000890066191 656270421 /nfs/dbraw/zinc/27/04/21/656270421.db2.gz QFZXSDFJIOATAI-DGCLKSJQSA-N 2 0 272.393 -0.308 20 0 CBADRP CC[N@H+]1[C@H](C)CN(c2nc(N)[nH+]c(N)n2)C[C@@H]1C ZINC000895101955 656279221 /nfs/dbraw/zinc/27/92/21/656279221.db2.gz PRDXDOXOEDWZPV-OCAPTIKFSA-N 2 0 251.338 -0.045 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000896621696 656290754 /nfs/dbraw/zinc/29/07/54/656290754.db2.gz XBAJOTIDLSINMH-RDBSUJKOSA-N 2 0 296.415 -0.069 20 0 CBADRP C[NH+](C)CC[C@@](C)(O)CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897440158 656293170 /nfs/dbraw/zinc/29/31/70/656293170.db2.gz NWAUVNPSOUIWCZ-UKRRQHHQSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CC(N3CC[C@@H](O)C3)C2)C1 ZINC000897463755 656293441 /nfs/dbraw/zinc/29/34/41/656293441.db2.gz IFCDNBQBUUUAIW-TZMCWYRMSA-N 2 0 296.415 -0.211 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000897764837 656294919 /nfs/dbraw/zinc/29/49/19/656294919.db2.gz PXTKDCGEILYRSD-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000900836996 656312504 /nfs/dbraw/zinc/31/25/04/656312504.db2.gz XWOJZCCYXXGJOK-JSGCOSHPSA-N 2 0 287.404 -0.474 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(C(C)(C)CO)CC1 ZINC000901227937 656317598 /nfs/dbraw/zinc/31/75/98/656317598.db2.gz JRDGBDGDFUZJQL-DOMZBBRYSA-N 2 0 299.415 -0.643 20 0 CBADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)C1 ZINC000902403003 656318969 /nfs/dbraw/zinc/31/89/69/656318969.db2.gz GDLJHSWYMHLJND-QWRGUYRKSA-N 2 0 278.418 -0.240 20 0 CBADRP O=C1NCC[C@@H]1N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903506566 656322276 /nfs/dbraw/zinc/32/22/76/656322276.db2.gz AXNARTNAQMLIOO-MJBXVCDLSA-N 2 0 278.400 -0.225 20 0 CBADRP CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904329720 656324946 /nfs/dbraw/zinc/32/49/46/656324946.db2.gz RTQKSAIDHXFACE-OUAUKWLOSA-N 2 0 261.391 -0.263 20 0 CBADRP Cn1cc(N2CC[C@H]([NH2+]C3CC(C[NH3+])C3)C2=O)cn1 ZINC000904364641 656325384 /nfs/dbraw/zinc/32/53/84/656325384.db2.gz ZWWBIZIKLLTLRE-CBINBANVSA-N 2 0 263.345 -0.148 20 0 CBADRP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C[C@H]21 ZINC000904378963 656326277 /nfs/dbraw/zinc/32/62/77/656326277.db2.gz NYOPJMBXMLTLKX-MJDLHHQISA-N 2 0 274.386 -0.533 20 0 CBADRP C[C@@]1(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)CC[NH2+]C1 ZINC000904428608 656326900 /nfs/dbraw/zinc/32/69/00/656326900.db2.gz NANRDNKZZCZAAI-GHMZBOCLSA-N 2 0 261.391 -0.404 20 0 CBADRP C[C@@]1(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)CC[NH2+]C1 ZINC000904428611 656326925 /nfs/dbraw/zinc/32/69/25/656326925.db2.gz NANRDNKZZCZAAI-WDEREUQCSA-N 2 0 261.391 -0.404 20 0 CBADRP Cn1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c(=O)n(C)c1=O ZINC000904405478 656327203 /nfs/dbraw/zinc/32/72/03/656327203.db2.gz JUCZACKAJNFPGY-SNVBAGLBSA-N 2 0 266.345 -0.745 20 0 CBADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1CS(N)(=O)=O ZINC000904462436 656327906 /nfs/dbraw/zinc/32/79/06/656327906.db2.gz JVRPJHVBGZPNSC-ZNSHCXBVSA-N 2 0 261.391 -0.420 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000904958004 656330629 /nfs/dbraw/zinc/33/06/29/656330629.db2.gz CRICDVJISMJYOW-GFCCVEGCSA-N 2 0 298.431 -0.160 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000904959600 656330682 /nfs/dbraw/zinc/33/06/82/656330682.db2.gz RQRXNJSOUPHZKA-OXJKWZBOSA-N 2 0 294.399 -0.655 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000904965650 656331243 /nfs/dbraw/zinc/33/12/43/656331243.db2.gz SGTIHCOLAFYABE-LLVKDONJSA-N 2 0 286.420 -0.162 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000904972552 656331411 /nfs/dbraw/zinc/33/14/11/656331411.db2.gz LNIFAGJNQNZCQC-DOMZBBRYSA-N 2 0 296.415 -0.264 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000904990619 656331417 /nfs/dbraw/zinc/33/14/17/656331417.db2.gz QGOLHPMDCHHXME-XHDPSFHLSA-N 2 0 296.415 -0.408 20 0 CBADRP CC[NH+]1CCC([NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905028893 656334745 /nfs/dbraw/zinc/33/47/45/656334745.db2.gz WPNLZRJAUKGTFL-ZIAGYGMSSA-N 2 0 272.389 -0.037 20 0 CBADRP CC[NH+]1CCC([NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905028891 656335076 /nfs/dbraw/zinc/33/50/76/656335076.db2.gz WPNLZRJAUKGTFL-KGLIPLIRSA-N 2 0 272.389 -0.037 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905094520 656337734 /nfs/dbraw/zinc/33/77/34/656337734.db2.gz GFLJCTOWDIYLJK-KGLIPLIRSA-N 2 0 285.432 -0.122 20 0 CBADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905109032 656338925 /nfs/dbraw/zinc/33/89/25/656338925.db2.gz BBVCLNXDONHDGE-NWDGAFQWSA-N 2 0 260.378 -0.181 20 0 CBADRP C[NH+](C)CCOCC[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905203013 656345557 /nfs/dbraw/zinc/34/55/57/656345557.db2.gz UZAAGLXJJKCNSL-QWHCGFSZSA-N 2 0 276.377 -0.943 20 0 CBADRP [NH3+]C[C@H]1CCCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905328933 656349380 /nfs/dbraw/zinc/34/93/80/656349380.db2.gz FEYZHLIQYPSVHZ-GFCCVEGCSA-N 2 0 275.418 -0.014 20 0 CBADRP [NH3+][C@@H]1CCCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905331010 656349427 /nfs/dbraw/zinc/34/94/27/656349427.db2.gz WYWKPEKOAWHQFF-LLVKDONJSA-N 2 0 261.391 -0.261 20 0 CBADRP [NH3+]C[C@H]1CCCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905331036 656349493 /nfs/dbraw/zinc/34/94/93/656349493.db2.gz YAHLJVOFASUHDH-LLVKDONJSA-N 2 0 261.391 -0.261 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)[C@H](C)C[NH2+]1 ZINC000905341585 656349767 /nfs/dbraw/zinc/34/97/67/656349767.db2.gz APKLTWFFGKIDOX-GHMZBOCLSA-N 2 0 275.418 -0.002 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000905343130 656350514 /nfs/dbraw/zinc/35/05/14/656350514.db2.gz HWIZCFVXIWZJBR-QWHCGFSZSA-N 2 0 287.429 0.000 20 0 CBADRP [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)CC3CC[NH2+]CC3)C[C@H]12 ZINC000905342697 656350591 /nfs/dbraw/zinc/35/05/91/656350591.db2.gz KEFGIOULECJJBZ-RWMBFGLXSA-N 2 0 287.429 -0.015 20 0 CBADRP C[C@H]1[NH2+]CCN(S(=O)(=O)CC2CC[NH2+]CC2)[C@H]1C ZINC000905345373 656351099 /nfs/dbraw/zinc/35/10/99/656351099.db2.gz VWFCGRDQEDROKX-MNOVXSKESA-N 2 0 275.418 -0.002 20 0 CBADRP C[NH2+]C[C@H](O)CNC[C@H](O)C[C@H](O)c1ccccc1 ZINC000905355057 656352626 /nfs/dbraw/zinc/35/26/26/656352626.db2.gz RJEUECDWNVTWIL-RDBSUJKOSA-N 2 0 268.357 -0.359 20 0 CBADRP CN(CCOCC[NH3+])S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905362382 656353555 /nfs/dbraw/zinc/35/35/55/656353555.db2.gz SDZSVZKDGZGRPN-UHFFFAOYSA-N 2 0 279.406 -0.777 20 0 CBADRP C[NH2+]CCOCCN(C)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905360314 656353833 /nfs/dbraw/zinc/35/38/33/656353833.db2.gz ABQBSWVIKGWYRB-UHFFFAOYSA-N 2 0 293.433 -0.516 20 0 CBADRP O[C@@H](C[NH2+][C@@H]1CC[C@@H](O)[C@@H](O)CC1)C[NH+]1CCCC1 ZINC000905467167 656358642 /nfs/dbraw/zinc/35/86/42/656358642.db2.gz TUWSYOWGFVSUMC-XDQVBPFNSA-N 2 0 272.389 -0.303 20 0 CBADRP CCN1CCC[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1=O ZINC000905549817 656361364 /nfs/dbraw/zinc/36/13/64/656361364.db2.gz HCQVCGLJBPWRJP-KGLIPLIRSA-N 2 0 298.431 -0.805 20 0 CBADRP Cn1nnc2c1C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CC2 ZINC000905633958 656364142 /nfs/dbraw/zinc/36/41/42/656364142.db2.gz OYJVVBXYKDJYAH-RYUDHWBXSA-N 2 0 279.388 -0.281 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000905698005 656366116 /nfs/dbraw/zinc/36/61/16/656366116.db2.gz DIYSKMXMEJPFIR-QWHCGFSZSA-N 2 0 271.405 -0.248 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CN1C(=O)NC2(CC[NH2+]CC2)C1=O ZINC000905734121 656367490 /nfs/dbraw/zinc/36/74/90/656367490.db2.gz IFJFCNFQJIVIIF-ZJUUUORDSA-N 2 0 266.345 -0.484 20 0 CBADRP [NH3+][C@H]1C[C@H](NCc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000906518498 656390332 /nfs/dbraw/zinc/39/03/32/656390332.db2.gz QHRKIPKMFHDBRX-GMTAPVOTSA-N 2 0 250.350 -0.218 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906678236 656396572 /nfs/dbraw/zinc/39/65/72/656396572.db2.gz DHKWCIBUPVMZKX-GFCCVEGCSA-N 2 0 270.421 -0.064 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000906872591 656404152 /nfs/dbraw/zinc/40/41/52/656404152.db2.gz MFPKSCHZIZFBNJ-CYBMUJFWSA-N 2 0 282.432 -0.062 20 0 CBADRP C[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)CC1 ZINC000996249660 656405484 /nfs/dbraw/zinc/40/54/84/656405484.db2.gz QGADODCUWLAZIX-LBPRGKRZSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)[C@@H]1CN(C)CCO1 ZINC000907071394 656420593 /nfs/dbraw/zinc/42/05/93/656420593.db2.gz QMTZPAFJERGRAT-OCCSQVGLSA-N 2 0 298.431 -0.685 20 0 CBADRP C[C@H]([NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C)C(N)=O ZINC000996609370 656446531 /nfs/dbraw/zinc/44/65/31/656446531.db2.gz GGBGOQGACMUOFR-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000996610789 656446607 /nfs/dbraw/zinc/44/66/07/656446607.db2.gz KNKOKGMNNXWRPB-RYUDHWBXSA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@H]([NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1)C(N)=O ZINC000996663699 656449909 /nfs/dbraw/zinc/44/99/09/656449909.db2.gz JAOAZWWOPUDXPM-NSHDSACASA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+](C)[C@H](C(=O)N1CCC([NH2+]CC(N)=O)CC1)C1CC1 ZINC000996680723 656451136 /nfs/dbraw/zinc/45/11/36/656451136.db2.gz UOSNBNJKNCYEMO-ZDUSSCGKSA-N 2 0 282.388 -0.608 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]CC(N)=O)CC1)[NH+](C)C ZINC000996692686 656452810 /nfs/dbraw/zinc/45/28/10/656452810.db2.gz ODOOAENGBLYTQO-ZDUSSCGKSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996993839 656463569 /nfs/dbraw/zinc/46/35/69/656463569.db2.gz GCCPNBNBESFBHF-LLVKDONJSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1)C(N)=O ZINC000997008006 656463670 /nfs/dbraw/zinc/46/36/70/656463670.db2.gz SVSWAPVATGKIHB-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000997007884 656463715 /nfs/dbraw/zinc/46/37/15/656463715.db2.gz RGIMMFSCFWZVLJ-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000996996990 656463812 /nfs/dbraw/zinc/46/38/12/656463812.db2.gz BBYDBHVCHGSCNH-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H]([NH2+]C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC000997179916 656469387 /nfs/dbraw/zinc/46/93/87/656469387.db2.gz MBSOYBTWWYTDQO-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000997183352 656469555 /nfs/dbraw/zinc/46/95/55/656469555.db2.gz JPWQLJMCGKXUFZ-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000907386530 656498645 /nfs/dbraw/zinc/49/86/45/656498645.db2.gz DXVRHEICTUGIQQ-UONOGXRCSA-N 2 0 285.388 -0.984 20 0 CBADRP C[NH+](C)CCn1nccc1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000907389309 656499639 /nfs/dbraw/zinc/49/96/39/656499639.db2.gz RSYDEHJAGKGNIF-AWEZNQCLSA-N 2 0 295.387 -0.759 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000907448490 656508668 /nfs/dbraw/zinc/50/86/68/656508668.db2.gz OGRDWQAEGICSQD-OCCSQVGLSA-N 2 0 269.389 -0.006 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000907780411 656573129 /nfs/dbraw/zinc/57/31/29/656573129.db2.gz DFLXWGDJLRVXJN-HNNXBMFYSA-N 2 0 281.400 -0.003 20 0 CBADRP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000907805510 656581349 /nfs/dbraw/zinc/58/13/49/656581349.db2.gz SDYDBWALBHZWSZ-CZXHOFHRSA-N 2 0 267.373 -0.539 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC000998866449 656591092 /nfs/dbraw/zinc/59/10/92/656591092.db2.gz JKHZIRCFXXTZMY-BPCQOVAHSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC000999208226 656617359 /nfs/dbraw/zinc/61/73/59/656617359.db2.gz MFGQHECDKVWOHI-FRRDWIJNSA-N 2 0 296.415 -0.217 20 0 CBADRP CN(C(=O)C1CC[NH+](C)CC1)C1CC([NH2+]CCO)C1 ZINC000999338856 656624628 /nfs/dbraw/zinc/62/46/28/656624628.db2.gz FXBQWGJEWKDRLQ-UHFFFAOYSA-N 2 0 269.389 -0.101 20 0 CBADRP Cn1ccnc1CCC(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC000999777619 656650097 /nfs/dbraw/zinc/65/00/97/656650097.db2.gz SQJVYPJOQFCVJE-LBPRGKRZSA-N 2 0 280.372 -0.074 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001000196795 656700758 /nfs/dbraw/zinc/70/07/58/656700758.db2.gz GRUJKRSSJFVVLA-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)C[NH+](C)C ZINC000908345621 656708755 /nfs/dbraw/zinc/70/87/55/656708755.db2.gz JMVLCAAHGJJIEO-MDZLAQPJSA-N 2 0 257.378 -0.245 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001000686147 656759103 /nfs/dbraw/zinc/75/91/03/656759103.db2.gz ALXIIRDLWDIYGN-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001000936626 656777290 /nfs/dbraw/zinc/77/72/90/656777290.db2.gz GXYUNJUCDJEDQY-KBPBESRZSA-N 2 0 299.415 -0.472 20 0 CBADRP O=C(CNC(=O)Cc1c[nH]cn1)NCC[NH+]1CCCCC1 ZINC000909311034 656806014 /nfs/dbraw/zinc/80/60/14/656806014.db2.gz IKHHXZAJVCWLHM-UHFFFAOYSA-N 2 0 293.371 -0.330 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](CC(N)=O)CC2)CC[N@@H+]1C ZINC001001420081 656810505 /nfs/dbraw/zinc/81/05/05/656810505.db2.gz DSATVUQUDWZMOT-DGCLKSJQSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001001831994 656822059 /nfs/dbraw/zinc/82/20/59/656822059.db2.gz BTUMFTNVJFWOTH-YPMHNXCESA-N 2 0 296.415 -0.502 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](CCO)CC1 ZINC001003636856 656865551 /nfs/dbraw/zinc/86/55/51/656865551.db2.gz XNWWQBPDEZFVPP-DGCLKSJQSA-N 2 0 269.389 -0.243 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001004146900 656881092 /nfs/dbraw/zinc/88/10/92/656881092.db2.gz BPXWEEHPRFABJE-LLVKDONJSA-N 2 0 255.362 -0.489 20 0 CBADRP CCN1CC[C@@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000910731183 656887346 /nfs/dbraw/zinc/88/73/46/656887346.db2.gz UTQHVIOMWRSOHI-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCO)CC1 ZINC001005183839 656894767 /nfs/dbraw/zinc/89/47/67/656894767.db2.gz KQILYGPQNLGQOY-ZDUSSCGKSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000910961040 656913844 /nfs/dbraw/zinc/91/38/44/656913844.db2.gz YWWPIWICYXDPBZ-MNOVXSKESA-N 2 0 282.388 -0.832 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC000910961026 656914883 /nfs/dbraw/zinc/91/48/83/656914883.db2.gz YUYMAGMAMDJRRB-OAHLLOKOSA-N 2 0 294.399 -0.449 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[N@@H+]1C ZINC000911007238 656928905 /nfs/dbraw/zinc/92/89/05/656928905.db2.gz IXSCHEDDZWFYIR-NZEXEKPDSA-N 2 0 294.399 -0.406 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000911017236 656932826 /nfs/dbraw/zinc/93/28/26/656932826.db2.gz JSYCWLOZBPGNEE-DGCLKSJQSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911030106 656934753 /nfs/dbraw/zinc/93/47/53/656934753.db2.gz QJKPJTBZGVUCNZ-NWDGAFQWSA-N 2 0 296.415 -0.170 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000911066567 656938395 /nfs/dbraw/zinc/93/83/95/656938395.db2.gz JLWQALREVOMOKI-NSHDSACASA-N 2 0 294.399 -0.321 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000911074089 656940871 /nfs/dbraw/zinc/94/08/71/656940871.db2.gz YYRWWPJJGJXJIJ-NWDGAFQWSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911073820 656941112 /nfs/dbraw/zinc/94/11/12/656941112.db2.gz WLZQNANXTFQBIL-DOMZBBRYSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911073278 656941310 /nfs/dbraw/zinc/94/13/10/656941310.db2.gz RGECCNRYYQTRJA-QWRGUYRKSA-N 2 0 284.404 -0.443 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911077390 656941852 /nfs/dbraw/zinc/94/18/52/656941852.db2.gz HYIOUKVDAKHIEL-FDYHWXHSSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911079820 656942049 /nfs/dbraw/zinc/94/20/49/656942049.db2.gz PSQVBRDJDZLPHU-WDEREUQCSA-N 2 0 282.388 -0.417 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911077394 656942169 /nfs/dbraw/zinc/94/21/69/656942169.db2.gz HYIOUKVDAKHIEL-ZDEQEGDKSA-N 2 0 296.415 -0.171 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911138567 656960469 /nfs/dbraw/zinc/96/04/69/656960469.db2.gz SLKWZCMLLUPYCN-HAQNSBGRSA-N 2 0 284.404 -0.312 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911137313 656960757 /nfs/dbraw/zinc/96/07/57/656960757.db2.gz DDRGHRWUFPYPEC-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911163788 656967950 /nfs/dbraw/zinc/96/79/50/656967950.db2.gz YPYWASCEGKUHDH-LLVKDONJSA-N 2 0 282.388 -0.416 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000911187306 656975847 /nfs/dbraw/zinc/97/58/47/656975847.db2.gz OCAIUCLZNRCPSF-NEPJUHHUSA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCO)C1 ZINC001006926869 656980980 /nfs/dbraw/zinc/98/09/80/656980980.db2.gz OAGIEVOGQVOWBK-NEPJUHHUSA-N 2 0 255.362 -0.347 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911212479 656986565 /nfs/dbraw/zinc/98/65/65/656986565.db2.gz ZPOBOMRKMYMDNK-NSHDSACASA-N 2 0 282.388 -0.416 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000911245315 656997203 /nfs/dbraw/zinc/99/72/03/656997203.db2.gz ZGNGSUXBJBIOCO-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911259213 657001547 /nfs/dbraw/zinc/00/15/47/657001547.db2.gz WBAZSFJBULRWPM-IJLUTSLNSA-N 2 0 284.404 -0.314 20 0 CBADRP CC1([NH+]2CCC2)CCC(NC(=O)C(=O)NCCC[NH3+])CC1 ZINC000911265858 657001817 /nfs/dbraw/zinc/00/18/17/657001817.db2.gz DVJOIHOZOPFFPO-UHFFFAOYSA-N 2 0 296.415 -0.025 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000911270058 657004696 /nfs/dbraw/zinc/00/46/96/657004696.db2.gz RHXGJTLHZQTEBS-RWMBFGLXSA-N 2 0 294.399 -0.321 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000911288144 657011384 /nfs/dbraw/zinc/01/13/84/657011384.db2.gz LFZGEMOJSMQVMO-UHFFFAOYSA-N 2 0 270.377 -0.879 20 0 CBADRP CC(C)C[C@H]1CN(C)CCN1C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000911296264 657013347 /nfs/dbraw/zinc/01/33/47/657013347.db2.gz KYTRTXUTRYZQTC-NEPJUHHUSA-N 2 0 284.404 -0.362 20 0 CBADRP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000911302326 657015762 /nfs/dbraw/zinc/01/57/62/657015762.db2.gz JXWRRZYXMVGNCM-JLNYLFASSA-N 2 0 281.400 -0.006 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000911325141 657020287 /nfs/dbraw/zinc/02/02/87/657020287.db2.gz PFXDAEFPGAXPOV-GRYCIOLGSA-N 2 0 296.415 -0.443 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000911338112 657022381 /nfs/dbraw/zinc/02/23/81/657022381.db2.gz XXFLAMIDRATPJY-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000911338110 657023259 /nfs/dbraw/zinc/02/32/59/657023259.db2.gz XXFLAMIDRATPJY-NEPJUHHUSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000911367244 657027558 /nfs/dbraw/zinc/02/75/58/657027558.db2.gz MSXRWBGKBJUICT-FDYHWXHSSA-N 2 0 294.399 -0.737 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911369964 657028803 /nfs/dbraw/zinc/02/88/03/657028803.db2.gz JCZHCZNYLUZPGP-CHWSQXEVSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000911370193 657029587 /nfs/dbraw/zinc/02/95/87/657029587.db2.gz RLXBHPNAGKFYQR-FVCCEPFGSA-N 2 0 294.399 -0.594 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000911375374 657030996 /nfs/dbraw/zinc/03/09/96/657030996.db2.gz VOLQJFZNUTUKFW-FRRDWIJNSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000911374950 657031154 /nfs/dbraw/zinc/03/11/54/657031154.db2.gz WYYSYNWXTKKBKR-DGCLKSJQSA-N 2 0 296.415 -0.489 20 0 CBADRP CCN1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911379263 657032070 /nfs/dbraw/zinc/03/20/70/657032070.db2.gz BZSDTGUDQHMQQG-NEPJUHHUSA-N 2 0 282.388 -0.878 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000911502371 657057258 /nfs/dbraw/zinc/05/72/58/657057258.db2.gz GDTCDPKMCJOIBK-NEPJUHHUSA-N 2 0 296.415 -0.170 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000911502270 657057599 /nfs/dbraw/zinc/05/75/99/657057599.db2.gz DNQOAVZRGVHOOH-GFCCVEGCSA-N 2 0 294.399 -0.319 20 0 CBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911506282 657059359 /nfs/dbraw/zinc/05/93/59/657059359.db2.gz YNKQKKYDHNCACY-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911506400 657060381 /nfs/dbraw/zinc/06/03/81/657060381.db2.gz MXZNEMAQGXEGNN-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000911506353 657060455 /nfs/dbraw/zinc/06/04/55/657060455.db2.gz LJSJYWWDKRCQQB-LBPRGKRZSA-N 2 0 294.399 -0.319 20 0 CBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)C[C@H]1C ZINC000911506335 657060748 /nfs/dbraw/zinc/06/07/48/657060748.db2.gz ZQDRYWMPIOZSCZ-VXGBXAGGSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911506405 657060929 /nfs/dbraw/zinc/06/09/29/657060929.db2.gz MZACCKJGEVTSRM-NEPJUHHUSA-N 2 0 294.399 -0.321 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)C(C)C ZINC000911520994 657066155 /nfs/dbraw/zinc/06/61/55/657066155.db2.gz LMGPXOLYGAQFEO-LBPRGKRZSA-N 2 0 298.431 -0.053 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911527633 657067208 /nfs/dbraw/zinc/06/72/08/657067208.db2.gz JAPMLHOFCCXDSC-NEPJUHHUSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000911530534 657068425 /nfs/dbraw/zinc/06/84/25/657068425.db2.gz ZASZIVAJBRSSHX-NEPJUHHUSA-N 2 0 296.415 -0.347 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000911531474 657068662 /nfs/dbraw/zinc/06/86/62/657068662.db2.gz HIMRNVWBDCACEM-GFCCVEGCSA-N 2 0 296.415 -0.358 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001009197188 657069285 /nfs/dbraw/zinc/06/92/85/657069285.db2.gz BGMZYZFPLSDBEM-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911534074 657069979 /nfs/dbraw/zinc/06/99/79/657069979.db2.gz RQKGIRLSWWWUHA-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911542166 657073875 /nfs/dbraw/zinc/07/38/75/657073875.db2.gz LRRJHPOSZUWBKZ-WUHRBBMRSA-N 2 0 294.399 -0.452 20 0 CBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000911547681 657074724 /nfs/dbraw/zinc/07/47/24/657074724.db2.gz YYICXWMYCFPBKY-GFCCVEGCSA-N 2 0 294.399 -0.339 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000911551437 657075828 /nfs/dbraw/zinc/07/58/28/657075828.db2.gz LQUUQJYIJAUGOD-FVCCEPFGSA-N 2 0 294.399 -0.452 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000911562395 657078665 /nfs/dbraw/zinc/07/86/65/657078665.db2.gz AZTYAOOKZOOXHU-JOCQHMNTSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911563774 657078844 /nfs/dbraw/zinc/07/88/44/657078844.db2.gz RHIMVIHLNSKGLR-IJLUTSLNSA-N 2 0 296.415 -0.171 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911563825 657080166 /nfs/dbraw/zinc/08/01/66/657080166.db2.gz STPGXKKVSUZDRY-IJLUTSLNSA-N 2 0 282.388 -0.608 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC000911633295 657090657 /nfs/dbraw/zinc/09/06/57/657090657.db2.gz GOARKKSTLZKYQS-VXGBXAGGSA-N 2 0 254.378 -0.652 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000911633539 657091090 /nfs/dbraw/zinc/09/10/90/657091090.db2.gz HJBPTSIJLWBPCT-OCCSQVGLSA-N 2 0 298.431 -0.066 20 0 CBADRP O=C([C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC000911647101 657094371 /nfs/dbraw/zinc/09/43/71/657094371.db2.gz PECCUJVRCHNQCO-AGIUHOORSA-N 2 0 267.373 -0.035 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000911646794 657094452 /nfs/dbraw/zinc/09/44/52/657094452.db2.gz AOSUJRZPMLAUFD-NSHDSACASA-N 2 0 254.378 -0.332 20 0 CBADRP C[C@]1(C(=O)NCC2([NH3+])CCCCC2)C[C@@H](O)C[NH2+]1 ZINC000911647199 657094939 /nfs/dbraw/zinc/09/49/39/657094939.db2.gz ULBDPPALBLZKNY-ZYHUDNBSSA-N 2 0 255.362 -0.123 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)C1 ZINC000911652399 657095652 /nfs/dbraw/zinc/09/56/52/657095652.db2.gz QUTAHSPPMDVCSG-SECBINFHSA-N 2 0 252.318 -0.556 20 0 CBADRP O=C(C1=NO[C@]2(C1)CCC[NH2+]C2)N1CCC[NH2+]CC1 ZINC000911655911 657097712 /nfs/dbraw/zinc/09/77/12/657097712.db2.gz LIUYPLIOGQMHIK-ZDUSSCGKSA-N 2 0 266.345 -0.293 20 0 CBADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC000911667758 657099884 /nfs/dbraw/zinc/09/98/84/657099884.db2.gz SBBCRPVBMUKDNB-IXPVHAAZSA-N 2 0 293.367 -0.076 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NCC1CC[NH2+]CC1 ZINC000911671987 657100277 /nfs/dbraw/zinc/10/02/77/657100277.db2.gz HMPFHAKBDNWPBT-ZDUSSCGKSA-N 2 0 255.362 -0.393 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)N[C@H]2CCC[NH2+]C2)CCOCC1 ZINC000911674850 657101428 /nfs/dbraw/zinc/10/14/28/657101428.db2.gz XXUNJCNGGJNAQV-QWRGUYRKSA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH2+]CCCNC(=O)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000911677986 657101561 /nfs/dbraw/zinc/10/15/61/657101561.db2.gz QACZJGPSSGQIEL-NSHDSACASA-N 2 0 258.366 -0.798 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C1=NOC2(C1)CC[NH2+]CC2 ZINC000911694954 657104514 /nfs/dbraw/zinc/10/45/14/657104514.db2.gz HNBHBGQAFIGGSY-SECBINFHSA-N 2 0 252.318 -0.637 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911702880 657110049 /nfs/dbraw/zinc/11/00/49/657110049.db2.gz RGXOTSIIOSJJMR-LBPRGKRZSA-N 2 0 282.388 -0.593 20 0 CBADRP [NH3+]CCCSCCC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911703339 657110868 /nfs/dbraw/zinc/11/08/68/657110868.db2.gz XTNSOMINEWQVNX-UHFFFAOYSA-N 2 0 288.417 -0.994 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911703697 657110897 /nfs/dbraw/zinc/11/08/97/657110897.db2.gz KBCNSOSHBYBPPM-DGCLKSJQSA-N 2 0 284.404 -0.408 20 0 CBADRP [NH3+]C[C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC000911712418 657112176 /nfs/dbraw/zinc/11/21/76/657112176.db2.gz AZGZPERIAWNWCX-BZPMIXESSA-N 2 0 267.373 -0.190 20 0 CBADRP [NH3+]C[C@@H]1CCCCN1C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911713080 657112499 /nfs/dbraw/zinc/11/24/99/657112499.db2.gz FMJHGLVFSHUACH-WCQYABFASA-N 2 0 255.362 -0.169 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911714598 657113590 /nfs/dbraw/zinc/11/35/90/657113590.db2.gz QXSLOGUGOGCKFX-YPMHNXCESA-N 2 0 284.404 -0.266 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911718357 657113614 /nfs/dbraw/zinc/11/36/14/657113614.db2.gz AAHHEFBIMLNQOK-MFKMUULPSA-N 2 0 266.345 -0.295 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C23CC(C2)C[NH2+]3)C1 ZINC000911730459 657117692 /nfs/dbraw/zinc/11/76/92/657117692.db2.gz OSVYQUZOXZNCTG-CVZZAPKMSA-N 2 0 280.372 -0.948 20 0 CBADRP C[C@]1(C(=O)NCc2ccc(CC[NH3+])cc2)C[C@H](O)C[NH2+]1 ZINC000911735725 657119472 /nfs/dbraw/zinc/11/94/72/657119472.db2.gz ZFYRZYJIBJMJRR-DZGCQCFKSA-N 2 0 277.368 -0.083 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911751771 657120590 /nfs/dbraw/zinc/12/05/90/657120590.db2.gz OIXRLZNSIRQHLW-JQWIXIFHSA-N 2 0 270.377 -0.656 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)C1=NOC2(C1)CC[NH2+]CC2 ZINC000911752279 657120741 /nfs/dbraw/zinc/12/07/41/657120741.db2.gz SYYZNYFMSZZOMW-SNVBAGLBSA-N 2 0 266.345 -0.247 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000911751777 657121143 /nfs/dbraw/zinc/12/11/43/657121143.db2.gz OIXYTVAPZTYQHS-ZWNOBZJWSA-N 2 0 266.345 -0.247 20 0 CBADRP CC[NH2+]CCNC(=O)c1cnn2cc(CC[NH3+])cnc12 ZINC000911751029 657121402 /nfs/dbraw/zinc/12/14/02/657121402.db2.gz SYUOVCKFZAVACO-UHFFFAOYSA-N 2 0 276.344 -0.430 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCC[NH2+]C1CC1 ZINC000911753759 657122733 /nfs/dbraw/zinc/12/27/33/657122733.db2.gz GUVHBNQULOMLNI-LBPRGKRZSA-N 2 0 270.377 -0.656 20 0 CBADRP [NH3+]CCc1cnc2c(C(=O)NC[C@H]3CCC[NH2+]3)cnn2c1 ZINC000911752669 657122965 /nfs/dbraw/zinc/12/29/65/657122965.db2.gz XRBHCRKUPPMARQ-LLVKDONJSA-N 2 0 288.355 -0.288 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000911766596 657124671 /nfs/dbraw/zinc/12/46/71/657124671.db2.gz GFUDHWHKUATCOX-DGCLKSJQSA-N 2 0 284.404 -0.408 20 0 CBADRP CCCN(C(=O)[C@@H]1CCCN(CC[NH3+])C1=O)[C@H]1CC[NH2+]C1 ZINC000911766482 657124710 /nfs/dbraw/zinc/12/47/10/657124710.db2.gz DZHKMHNELDHXEY-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000911773616 657125253 /nfs/dbraw/zinc/12/52/53/657125253.db2.gz DUVHHCLXRXNHDU-SMDDNHRTSA-N 2 0 280.372 -0.047 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC000911777430 657126776 /nfs/dbraw/zinc/12/67/76/657126776.db2.gz KSOQDCFFYGCYLD-LBPRGKRZSA-N 2 0 254.378 -0.652 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911776576 657127076 /nfs/dbraw/zinc/12/70/76/657127076.db2.gz XNJSIMJMUBGPKN-FRRDWIJNSA-N 2 0 266.389 -0.795 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC000911777292 657127377 /nfs/dbraw/zinc/12/73/77/657127377.db2.gz IVKLXCFDCYQMSO-SCRDCRAPSA-N 2 0 267.373 -0.320 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)C1([NH+](C)C)CC1 ZINC000911776815 657127514 /nfs/dbraw/zinc/12/75/14/657127514.db2.gz YJJXKGXRBIVYNA-UHFFFAOYSA-N 2 0 254.378 -0.556 20 0 CBADRP [NH3+]CCNCC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000911787467 657128179 /nfs/dbraw/zinc/12/81/79/657128179.db2.gz RLDAOLPWAFAVSH-UHFFFAOYSA-N 2 0 262.357 -0.027 20 0 CBADRP CN(C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000911781830 657128638 /nfs/dbraw/zinc/12/86/38/657128638.db2.gz BOCVFHQKZAZZRC-ZWNOBZJWSA-N 2 0 266.345 -0.295 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911782764 657128712 /nfs/dbraw/zinc/12/87/12/657128712.db2.gz MSIVZSZPJBGLMA-CMPLNLGQSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)N(C)[C@H]2CC[NH2+]C2)CCOCC1 ZINC000911787331 657128972 /nfs/dbraw/zinc/12/89/72/657128972.db2.gz IJLLICXFLMNAOV-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000911799410 657133331 /nfs/dbraw/zinc/13/33/31/657133331.db2.gz XYHHSRZMHXAZRY-LOWVWBTDSA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@@H]1CN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC000911803404 657134782 /nfs/dbraw/zinc/13/47/82/657134782.db2.gz RUDLRBYSCFYBIF-ZWNOBZJWSA-N 2 0 266.345 -0.295 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)N2CC[NH2+][C@@H](C)C2)CCOCC1 ZINC000911810100 657136688 /nfs/dbraw/zinc/13/66/88/657136688.db2.gz LWLWHMJGBDSXDT-WDEREUQCSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[NH2+]1 ZINC000911810924 657136960 /nfs/dbraw/zinc/13/69/60/657136960.db2.gz NUNXRAYHIBDSBX-GHMZBOCLSA-N 2 0 268.361 -0.996 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)N2CC[NH2+][C@H](C)C2)CCOCC1 ZINC000911810098 657137204 /nfs/dbraw/zinc/13/72/04/657137204.db2.gz LWLWHMJGBDSXDT-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911826518 657142089 /nfs/dbraw/zinc/14/20/89/657142089.db2.gz OPYRWLIDRDUOOT-GWCFXTLKSA-N 2 0 268.361 -0.016 20 0 CBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000911838102 657145052 /nfs/dbraw/zinc/14/50/52/657145052.db2.gz YZQNYEDWDSCHQV-OLZOCXBDSA-N 2 0 257.378 -0.019 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CC[NH2+]CC1(C)C ZINC000911848225 657147115 /nfs/dbraw/zinc/14/71/15/657147115.db2.gz WGMUOHGSTGEANN-GFCCVEGCSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H]([NH3+])c1ccc(CNC(=O)CNCC[NH3+])cc1 ZINC000911856673 657148247 /nfs/dbraw/zinc/14/82/47/657148247.db2.gz RIKIYSWRHPSANT-SNVBAGLBSA-N 2 0 250.346 -0.129 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1=O ZINC000911855892 657148298 /nfs/dbraw/zinc/14/82/98/657148298.db2.gz JPUUBIIHXBCHTG-FRRDWIJNSA-N 2 0 294.399 -0.463 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC000911866703 657150035 /nfs/dbraw/zinc/15/00/35/657150035.db2.gz BQFHDAUQDJMYON-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP CN(C(=O)[C@H]1C[NH2+]CCN1C)C1CCC([NH3+])CC1 ZINC000911869591 657150292 /nfs/dbraw/zinc/15/02/92/657150292.db2.gz XURVIAIOQSXBAP-HTAVTVPLSA-N 2 0 254.378 -0.382 20 0 CBADRP C[C@@H]1[NH2+]CCn2c(C(=O)N3CCN(C)C[C@H]3C[NH3+])ccc21 ZINC000911880694 657155514 /nfs/dbraw/zinc/15/55/14/657155514.db2.gz XFFUMKWXPCOTGN-NWDGAFQWSA-N 2 0 291.399 -0.133 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)CCO1 ZINC000911881127 657155554 /nfs/dbraw/zinc/15/55/54/657155554.db2.gz CTQGRPRRVYQHFZ-XZPZHEHLSA-N 2 0 253.346 -0.456 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000911885358 657158192 /nfs/dbraw/zinc/15/81/92/657158192.db2.gz VQMBLMLXCLLCLU-KXNHARMFSA-N 2 0 255.362 -0.051 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N(CCO)C2CC[NH+](C)CC2)C1 ZINC000911939268 657169898 /nfs/dbraw/zinc/16/98/98/657169898.db2.gz TVHSRDWKFYJRKU-LBPRGKRZSA-N 2 0 269.389 -0.147 20 0 CBADRP C/C=C\[C@H](O)C(=O)NCCN(C)CCC[NH+](C)C ZINC000912387612 657248110 /nfs/dbraw/zinc/24/81/10/657248110.db2.gz QEENIKDNJMNRJM-HWPRWLFBSA-N 2 0 257.378 -0.077 20 0 CBADRP Cc1cncn1CC(=O)N1CCN(C)C[C@@H]1CO ZINC000912734700 657317459 /nfs/dbraw/zinc/31/74/59/657317459.db2.gz MRYMAFRUXLYURO-LLVKDONJSA-N 2 0 252.318 -0.674 20 0 CBADRP O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001014460764 657361201 /nfs/dbraw/zinc/36/12/01/657361201.db2.gz YUOPHQHFXIMYFM-STQMWFEESA-N 2 0 267.373 -0.489 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](CCCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001014457101 657361805 /nfs/dbraw/zinc/36/18/05/657361805.db2.gz OZCXYOGUPZHUTE-KGLIPLIRSA-N 2 0 281.400 -0.099 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](CCO)C1)C12CCC[NH+]1CCC2 ZINC001015091028 657407044 /nfs/dbraw/zinc/40/70/44/657407044.db2.gz SWDQYKOUNDFQAQ-GFCCVEGCSA-N 2 0 267.373 -0.202 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[NH+](CCO)C1 ZINC001015705122 657524266 /nfs/dbraw/zinc/52/42/66/657524266.db2.gz IDEHYGHILOHJBA-NWDGAFQWSA-N 2 0 255.362 -0.347 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)NC12CC[NH+](CC1)C2 ZINC000913636651 657573528 /nfs/dbraw/zinc/57/35/28/657573528.db2.gz OLEHKCKAMCOFDF-UHFFFAOYSA-N 2 0 299.415 -0.064 20 0 CBADRP C[C@H](C(=O)N1CCC(O)(C[NH+](C)C)CC1)[NH+](C)C ZINC000913676060 657580053 /nfs/dbraw/zinc/58/00/53/657580053.db2.gz LFEQTIHIVZUZAA-LLVKDONJSA-N 2 0 257.378 -0.148 20 0 CBADRP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000913759586 657603588 /nfs/dbraw/zinc/60/35/88/657603588.db2.gz QHPWTGFPTKIBRF-BHPKHCPMSA-N 2 0 281.400 -0.006 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001016006333 657630033 /nfs/dbraw/zinc/63/00/33/657630033.db2.gz CJNDTTVPMBOACD-NSHDSACASA-N 2 0 278.356 -0.056 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001016006332 657631349 /nfs/dbraw/zinc/63/13/49/657631349.db2.gz CJNDTTVPMBOACD-LLVKDONJSA-N 2 0 278.356 -0.056 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016252554 657671567 /nfs/dbraw/zinc/67/15/67/657671567.db2.gz TZBUZUSUCSABAQ-RYUDHWBXSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCN2C)CC[N@@H+]1C ZINC000917961981 657821320 /nfs/dbraw/zinc/82/13/20/657821320.db2.gz YBEHDKLMBWWOOL-JHJVBQTASA-N 2 0 283.420 -0.376 20 0 CBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]([NH2+]CCO)C1 ZINC001018854000 657850055 /nfs/dbraw/zinc/85/00/55/657850055.db2.gz BSTBUOYPWPXORM-STQMWFEESA-N 2 0 267.373 -0.489 20 0 CBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]([NH2+]CCO)C2)n1 ZINC001018860340 657850090 /nfs/dbraw/zinc/85/00/90/657850090.db2.gz CQSDZLPHKFGWRT-LBPRGKRZSA-N 2 0 295.387 -0.759 20 0 CBADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001018962940 657856271 /nfs/dbraw/zinc/85/62/71/657856271.db2.gz QXWZDSXWUSRETF-RYUDHWBXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+](C)CCNC(=S)NCCN1CCC[N@H+](C)CC1 ZINC000919718613 657857997 /nfs/dbraw/zinc/85/79/97/657857997.db2.gz AMAHDMLILMPCTN-UHFFFAOYSA-N 2 0 287.477 -0.350 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1)[NH+](C)C ZINC001019033342 657859160 /nfs/dbraw/zinc/85/91/60/657859160.db2.gz JSSDKTBMGZOCKM-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP NC(=O)C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001019030718 657859376 /nfs/dbraw/zinc/85/93/76/657859376.db2.gz QHCGYMQEPRQSBO-LBPRGKRZSA-N 2 0 294.399 -0.462 20 0 CBADRP NC(=O)C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001019088552 657862473 /nfs/dbraw/zinc/86/24/73/657862473.db2.gz WQLYRBRZUZZRJP-NSHDSACASA-N 2 0 280.372 -0.709 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)NC[C@H]1CC[NH+]1C ZINC000920420770 657874131 /nfs/dbraw/zinc/87/41/31/657874131.db2.gz AQAQQTXYBUPRQI-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)C(N)=O ZINC001019231293 657874327 /nfs/dbraw/zinc/87/43/27/657874327.db2.gz WOIAGJDDODPAON-NEPJUHHUSA-N 2 0 296.415 -0.075 20 0 CBADRP CN1CC[C@H]([NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001019241628 657875738 /nfs/dbraw/zinc/87/57/38/657875738.db2.gz PJVIQIXOJGCJJT-RWMBFGLXSA-N 2 0 294.399 -0.498 20 0 CBADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001019259416 657877084 /nfs/dbraw/zinc/87/70/84/657877084.db2.gz HRUNTHPBDYYDTD-XQQFMLRXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001019261055 657877144 /nfs/dbraw/zinc/87/71/44/657877144.db2.gz GRWWAVIIZKDJGD-AVGNSLFASA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001019258675 657877253 /nfs/dbraw/zinc/87/72/53/657877253.db2.gz MDACAZGGPPBLMV-SRVKXCTJSA-N 2 0 282.388 -0.465 20 0 CBADRP C[NH+](C)Cc1ccoc1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019297892 657880959 /nfs/dbraw/zinc/88/09/59/657880959.db2.gz PPZRYMWKGRLUSE-NSHDSACASA-N 2 0 294.355 -0.369 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1)C(N)=O ZINC001019560405 657912623 /nfs/dbraw/zinc/91/26/23/657912623.db2.gz DTFDLKFCIZMHMN-OLZOCXBDSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001019660824 657926533 /nfs/dbraw/zinc/92/65/33/657926533.db2.gz NQGTVGZWEHCYMD-NWDGAFQWSA-N 2 0 294.399 -0.463 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001019654722 657926903 /nfs/dbraw/zinc/92/69/03/657926903.db2.gz AILXINFTNUHZHE-NEPJUHHUSA-N 2 0 255.362 -0.489 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001019775867 657936425 /nfs/dbraw/zinc/93/64/25/657936425.db2.gz KGUJPRSLKANTEQ-QWHCGFSZSA-N 2 0 294.399 -0.449 20 0 CBADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001019774678 657937882 /nfs/dbraw/zinc/93/78/82/657937882.db2.gz DAADZVHLRSAYIC-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP Cn1nncc1C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001019775738 657938411 /nfs/dbraw/zinc/93/84/11/657938411.db2.gz BHBIZVODBKQBDA-LBPRGKRZSA-N 2 0 292.387 -0.399 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001020028906 657989417 /nfs/dbraw/zinc/98/94/17/657989417.db2.gz NVQHFIYDRUVWJG-DBIOUOCHSA-N 2 0 268.361 -0.809 20 0 CBADRP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CC1)CCOCCO ZINC000922117966 657999436 /nfs/dbraw/zinc/99/94/36/657999436.db2.gz YKQIQTOUKFSSCR-CQSZACIVSA-N 2 0 299.415 -0.330 20 0 CBADRP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CC1)CCOCCO ZINC000922117965 658000191 /nfs/dbraw/zinc/00/01/91/658000191.db2.gz YKQIQTOUKFSSCR-AWEZNQCLSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000922164572 658015082 /nfs/dbraw/zinc/01/50/82/658015082.db2.gz WDXBNQQWAGSTSC-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)C(N)=O ZINC001020161922 658019884 /nfs/dbraw/zinc/01/98/84/658019884.db2.gz UAZBKTWAYXYJQI-OJAKKHQRSA-N 2 0 294.399 -0.561 20 0 CBADRP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001020178871 658021177 /nfs/dbraw/zinc/02/11/77/658021177.db2.gz HQMVDZHXBSNZFF-CYDGBPFRSA-N 2 0 283.372 -0.921 20 0 CBADRP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001020178872 658021576 /nfs/dbraw/zinc/02/15/76/658021576.db2.gz HQMVDZHXBSNZFF-FDYHWXHSSA-N 2 0 283.372 -0.921 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001020214419 658026774 /nfs/dbraw/zinc/02/67/74/658026774.db2.gz SNNYANZNADZLNS-LPWJVIDDSA-N 2 0 296.415 -0.029 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001020432301 658049620 /nfs/dbraw/zinc/04/96/20/658049620.db2.gz HZTTWMGAJRDGQG-YRGRVCCFSA-N 2 0 294.399 -0.417 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020499856 658059465 /nfs/dbraw/zinc/05/94/65/658059465.db2.gz FWGILUNLWOOHAQ-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001020541536 658073067 /nfs/dbraw/zinc/07/30/67/658073067.db2.gz BNVMGJUFJREBBY-DRZSPHRISA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001020589140 658075607 /nfs/dbraw/zinc/07/56/07/658075607.db2.gz XTMUOYFIAFKVPT-LPWJVIDDSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001020589828 658077348 /nfs/dbraw/zinc/07/73/48/658077348.db2.gz DJMIOVXUAHXKJE-IJLUTSLNSA-N 2 0 255.362 -0.443 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001020719583 658084759 /nfs/dbraw/zinc/08/47/59/658084759.db2.gz MNXUATOKEDRXLT-FDYHWXHSSA-N 2 0 294.399 -0.275 20 0 CBADRP C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1)C(N)=O ZINC001020818617 658096196 /nfs/dbraw/zinc/09/61/96/658096196.db2.gz VFNMZCDTNRQZID-JHJVBQTASA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020928003 658113058 /nfs/dbraw/zinc/11/30/58/658113058.db2.gz SJEFUSMKUTZAHW-CYDGBPFRSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2C)CC1 ZINC000922982669 658116761 /nfs/dbraw/zinc/11/67/61/658116761.db2.gz DGHQVUYGUDCHEM-QWRGUYRKSA-N 2 0 270.377 -0.555 20 0 CBADRP C[NH+](C)C1(CNC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2C)CC1 ZINC000922982665 658118409 /nfs/dbraw/zinc/11/84/09/658118409.db2.gz DGHQVUYGUDCHEM-GHMZBOCLSA-N 2 0 270.377 -0.555 20 0 CBADRP C[NH+](C)C1(CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000922985712 658119427 /nfs/dbraw/zinc/11/94/27/658119427.db2.gz HOZNIKDEUDIONC-NWDGAFQWSA-N 2 0 282.388 -0.459 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001020928874 658120248 /nfs/dbraw/zinc/12/02/48/658120248.db2.gz ONBONZNHHJROPQ-DDHJBXDOSA-N 2 0 282.388 -0.561 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001021047563 658133615 /nfs/dbraw/zinc/13/36/15/658133615.db2.gz HUNMOOBDDCHNLQ-AVGNSLFASA-N 2 0 294.399 -0.593 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001021047605 658136381 /nfs/dbraw/zinc/13/63/81/658136381.db2.gz JCNCGSLAIMMCNO-FIQHERPVSA-N 2 0 280.372 -0.937 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001021091928 658150794 /nfs/dbraw/zinc/15/07/94/658150794.db2.gz ZSKKORDICHFBDT-CDECOKDKSA-N 2 0 282.388 -0.419 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283170 658186701 /nfs/dbraw/zinc/18/67/01/658186701.db2.gz SSWCJRIPADOFKI-NEPJUHHUSA-N 2 0 255.362 -0.489 20 0 CBADRP CCOCC[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000923280430 658187840 /nfs/dbraw/zinc/18/78/40/658187840.db2.gz GIVFXTASJIWAHM-OLZOCXBDSA-N 2 0 287.404 -0.439 20 0 CBADRP [NH3+]C1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000923276720 658188119 /nfs/dbraw/zinc/18/81/19/658188119.db2.gz AWLYBNLEXLBJHV-OLZOCXBDSA-N 2 0 258.362 -0.034 20 0 CBADRP [NH3+]C1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000923276721 658190941 /nfs/dbraw/zinc/19/09/41/658190941.db2.gz AWLYBNLEXLBJHV-QWHCGFSZSA-N 2 0 258.362 -0.034 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280920 658192130 /nfs/dbraw/zinc/19/21/30/658192130.db2.gz KCZNMRBFCLLEGG-OLZOCXBDSA-N 3 0 296.415 -0.848 20 0 CBADRP CNC(=O)[C@@H](C)C[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923314249 658202904 /nfs/dbraw/zinc/20/29/04/658202904.db2.gz FFKMCVAMSMLQTG-QWRGUYRKSA-N 2 0 255.362 -0.321 20 0 CBADRP CCNC(=O)C[N@H+](CC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923306923 658203384 /nfs/dbraw/zinc/20/33/84/658203384.db2.gz OHDLIYUHILTKRP-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP CCN(C(=O)CNC(C[NH3+])C[NH3+])c1ccccc1 ZINC000923350550 658219595 /nfs/dbraw/zinc/21/95/95/658219595.db2.gz BWDXOPASOMVIOV-UHFFFAOYSA-N 2 0 250.346 -0.085 20 0 CBADRP C[C@H](NC(C[NH3+])C[NH3+])C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000923350518 658220340 /nfs/dbraw/zinc/22/03/40/658220340.db2.gz AUXYVKLYASEWMJ-MXWKQRLJSA-N 2 0 256.394 -0.245 20 0 CBADRP O[C@@H](COC[C@H]1CCCO1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000923349280 658222171 /nfs/dbraw/zinc/22/21/71/658222171.db2.gz UPQCRRPCPRZPKQ-XJFOESAGSA-N 2 0 270.373 -0.306 20 0 CBADRP FC(F)[C@@H]1C[NH2+]CCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923353683 658226599 /nfs/dbraw/zinc/22/65/99/658226599.db2.gz LDIDFMCPVLBXKD-ZJUUUORDSA-N 2 0 261.316 -0.096 20 0 CBADRP C[C@@H](NC(C[NH3+])C[NH3+])C(=O)N(C)Cc1ccccc1 ZINC000923353114 658226802 /nfs/dbraw/zinc/22/68/02/658226802.db2.gz SXQYPZYYEMNWOA-LLVKDONJSA-N 2 0 264.373 -0.091 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@H](O)C[N@H+](C)CCOC ZINC000923352889 658226950 /nfs/dbraw/zinc/22/69/50/658226950.db2.gz TTXQLWOVWSFLDT-RWMBFGLXSA-N 2 0 277.384 -0.443 20 0 CBADRP FC(F)[C@@H]1C[NH2+]CCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923353681 658226979 /nfs/dbraw/zinc/22/69/79/658226979.db2.gz LDIDFMCPVLBXKD-UWVGGRQHSA-N 2 0 261.316 -0.096 20 0 CBADRP Cc1cccc(OC[C@H](O)CNC(C[NH3+])C[NH3+])c1 ZINC000923356615 658229200 /nfs/dbraw/zinc/22/92/00/658229200.db2.gz NWWGSNLSOXGKQP-GFCCVEGCSA-N 2 0 253.346 -0.390 20 0 CBADRP CCN1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1=O ZINC000923373596 658240766 /nfs/dbraw/zinc/24/07/66/658240766.db2.gz QLIVGYFVQTXTNV-GFCCVEGCSA-N 2 0 267.373 -0.081 20 0 CBADRP CN(C)C(=O)NCC[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923373300 658242561 /nfs/dbraw/zinc/24/25/61/658242561.db2.gz MGDNZGXQUIMZIB-LLVKDONJSA-N 2 0 270.377 -0.432 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000923368895 658243860 /nfs/dbraw/zinc/24/38/60/658243860.db2.gz GOBHTOTWCOAMHJ-RYUDHWBXSA-N 2 0 261.410 -0.112 20 0 CBADRP [NH3+]CCN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@H](O)CO ZINC000923386559 658248944 /nfs/dbraw/zinc/24/89/44/658248944.db2.gz HHTHGWNUYZEXNT-GSPSYOTPSA-N 2 0 271.405 -0.479 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000923398061 658253072 /nfs/dbraw/zinc/25/30/72/658253072.db2.gz JQBKGNZWGCESKQ-MELADBBJSA-N 2 0 271.405 -0.261 20 0 CBADRP C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C[C@@H]1COCCO1 ZINC000923391754 658253573 /nfs/dbraw/zinc/25/35/73/658253573.db2.gz POYITMNTFPHIJB-VXGBXAGGSA-N 2 0 256.346 -0.288 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000923394496 658253533 /nfs/dbraw/zinc/25/35/33/658253533.db2.gz ASCCZRPRSXIIHV-QJPTWQEYSA-N 2 0 263.357 -0.703 20 0 CBADRP CNC(=O)[C@@]1(COC)CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923395324 658256678 /nfs/dbraw/zinc/25/66/78/658256678.db2.gz RNGXKDLMYVWBRC-WFASDCNBSA-N 2 0 297.399 -0.408 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923402659 658260307 /nfs/dbraw/zinc/26/03/07/658260307.db2.gz JRLJYNIYEAPFMW-LBPRGKRZSA-N 3 0 257.378 -0.467 20 0 CBADRP CO[C@@H]1CN(C[C@@H]2CC3(C[NH2+]C3)CO2)[C@@](C)(C[NH3+])C1 ZINC000923410700 658262915 /nfs/dbraw/zinc/26/29/15/658262915.db2.gz IHQGWXOUWXFVAB-RWMBFGLXSA-N 2 0 269.389 -0.197 20 0 CBADRP Cn1nnnc1C1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923419716 658269636 /nfs/dbraw/zinc/26/96/36/658269636.db2.gz FWKSHSNTZPMSDQ-GFCCVEGCSA-N 2 0 292.387 -0.232 20 0 CBADRP Cn1nnnc1C1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923419718 658269796 /nfs/dbraw/zinc/26/97/96/658269796.db2.gz FWKSHSNTZPMSDQ-LBPRGKRZSA-N 2 0 292.387 -0.232 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000923416756 658269888 /nfs/dbraw/zinc/26/98/88/658269888.db2.gz ZBMUCBGKCZHBFU-HZSPNIEDSA-N 2 0 294.399 -0.005 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000923416757 658272112 /nfs/dbraw/zinc/27/21/12/658272112.db2.gz ZBMUCBGKCZHBFU-MELADBBJSA-N 2 0 294.399 -0.005 20 0 CBADRP CCOC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000923427173 658273061 /nfs/dbraw/zinc/27/30/61/658273061.db2.gz ACEQWVGTDSAHJJ-OPDFLTKYSA-N 2 0 286.372 -0.404 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923497063 658307338 /nfs/dbraw/zinc/30/73/38/658307338.db2.gz KQBYJMGXVDBNTJ-NEPJUHHUSA-N 2 0 285.388 -0.075 20 0 CBADRP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923491490 658308265 /nfs/dbraw/zinc/30/82/65/658308265.db2.gz IERXAUYEFCFYLF-IHRRRGAJSA-N 2 0 273.421 -0.158 20 0 CBADRP C[C@H](NC(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1)C(=O)N(C)C ZINC000923493636 658308367 /nfs/dbraw/zinc/30/83/67/658308367.db2.gz UJDNWMDKFLTBCP-QWRGUYRKSA-N 2 0 270.377 -0.750 20 0 CBADRP CNS(=O)(=O)CCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923501031 658309320 /nfs/dbraw/zinc/30/93/20/658309320.db2.gz YSTCQFISKABHRX-GHMZBOCLSA-N 2 0 263.407 -0.158 20 0 CBADRP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923513904 658309436 /nfs/dbraw/zinc/30/94/36/658309436.db2.gz DEKCJWCZNOYOCB-YRGRVCCFSA-N 2 0 296.415 -0.408 20 0 CBADRP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515963 658313575 /nfs/dbraw/zinc/31/35/75/658313575.db2.gz PBVJGFGIIXVVGZ-YNEHKIRRSA-N 3 0 251.374 -0.094 20 0 CBADRP [NH3+]CC1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923562364 658326224 /nfs/dbraw/zinc/32/62/24/658326224.db2.gz IDJYEEJRSSNHKB-NSHDSACASA-N 2 0 261.391 -0.261 20 0 CBADRP O=S(=O)(NCC[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000923567540 658331036 /nfs/dbraw/zinc/33/10/36/658331036.db2.gz BHWBHKWHSAUBSX-GHMZBOCLSA-N 2 0 261.391 -0.343 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923575519 658335983 /nfs/dbraw/zinc/33/59/83/658335983.db2.gz DNIXNFCBPXAJBG-PWSUYJOCSA-N 2 0 273.402 -0.248 20 0 CBADRP C[C@@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC000923573795 658336567 /nfs/dbraw/zinc/33/65/67/658336567.db2.gz RQTXLLUIDGXRJS-GHMZBOCLSA-N 2 0 276.406 -0.804 20 0 CBADRP CN(CC(C)(C)C[NH3+])S(=O)(=O)N1CC[NH2+]CC1 ZINC000923575017 658336690 /nfs/dbraw/zinc/33/66/90/658336690.db2.gz BCBSBBFHPIWOCA-UHFFFAOYSA-N 2 0 264.395 -0.947 20 0 CBADRP C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923610712 658348535 /nfs/dbraw/zinc/34/85/35/658348535.db2.gz WAXRGBJHAAGKMS-RYUDHWBXSA-N 2 0 273.402 -0.153 20 0 CBADRP C[C@H]1C[C@@H](NS(=O)(=O)N2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000923627259 658361844 /nfs/dbraw/zinc/36/18/44/658361844.db2.gz YXXIMZKEETZNAW-WDEREUQCSA-N 2 0 288.417 -0.649 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923630365 658363254 /nfs/dbraw/zinc/36/32/54/658363254.db2.gz XCWIYMLFLSZXKK-PWSUYJOCSA-N 2 0 273.402 -0.296 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)[C@@H]3CCC[NH2+]C3)C[C@H]12 ZINC000923635656 658367195 /nfs/dbraw/zinc/36/71/95/658367195.db2.gz OQSIHZZXQQJREF-WISYIIOYSA-N 2 0 273.402 -0.263 20 0 CBADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000923632833 658367468 /nfs/dbraw/zinc/36/74/68/658367468.db2.gz GWNJVIJYCVRILT-NEPJUHHUSA-N 2 0 273.402 -0.246 20 0 CBADRP C[C@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000923647580 658372367 /nfs/dbraw/zinc/37/23/67/658372367.db2.gz NDDBNTQEPNFLOG-WDEREUQCSA-N 2 0 276.406 -0.947 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000923646349 658372488 /nfs/dbraw/zinc/37/24/88/658372488.db2.gz QNYPGFWBSUYZCZ-QWRGUYRKSA-N 2 0 273.402 -0.391 20 0 CBADRP [NH3+]C[C@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CCCO1 ZINC000923645911 658373292 /nfs/dbraw/zinc/37/32/92/658373292.db2.gz IIABBFBHHZMVIJ-QWRGUYRKSA-N 2 0 277.390 -0.882 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923645956 658373808 /nfs/dbraw/zinc/37/38/08/658373808.db2.gz QEERPDUEZITKJT-NEPJUHHUSA-N 2 0 287.429 0.000 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923647351 658374013 /nfs/dbraw/zinc/37/40/13/658374013.db2.gz YGGZPYUXVGEMHS-DCAQKATOSA-N 2 0 279.381 -0.300 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923647367 658374118 /nfs/dbraw/zinc/37/41/18/658374118.db2.gz YGGZPYUXVGEMHS-GARJFASQSA-N 2 0 279.381 -0.300 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923658705 658382734 /nfs/dbraw/zinc/38/27/34/658382734.db2.gz BRAQPFWWTJHQJU-LLVKDONJSA-N 2 0 276.406 -0.934 20 0 CBADRP CC(C)[C@H]([NH3+])CCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923659267 658383271 /nfs/dbraw/zinc/38/32/71/658383271.db2.gz TYTSXWNJHBMDFS-SNVBAGLBSA-N 2 0 264.395 -0.901 20 0 CBADRP C[NH2+]CCOCCN(C)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923660626 658384931 /nfs/dbraw/zinc/38/49/31/658384931.db2.gz BQLOLORTDLLCTN-NSHDSACASA-N 2 0 279.406 -0.764 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H](NS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923668479 658389628 /nfs/dbraw/zinc/38/96/28/658389628.db2.gz VZASEHNNTMAVNJ-LLVKDONJSA-N 2 0 290.433 -0.496 20 0 CBADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923666587 658390331 /nfs/dbraw/zinc/39/03/31/658390331.db2.gz OEHAYDJIDQBUOY-OUAUKWLOSA-N 2 0 259.375 -0.496 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000923697996 658406113 /nfs/dbraw/zinc/40/61/13/658406113.db2.gz BFTXEEYEVOYGBW-WOPDTQHZSA-N 2 0 275.418 -0.015 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923719035 658412545 /nfs/dbraw/zinc/41/25/45/658412545.db2.gz ICSAEJPBINEXCC-NWDGAFQWSA-N 2 0 275.418 -0.191 20 0 CBADRP O=C(NC[C@H]1C[N@H+](CCO)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC000958214928 658591139 /nfs/dbraw/zinc/59/11/39/658591139.db2.gz OSSVGURRCJMOGM-QWHCGFSZSA-N 2 0 297.399 -0.984 20 0 CBADRP C[NH+]1CCN(CCC[NH2+][C@H]2C(=O)NCC2(C)C)CC1 ZINC000924578154 658615653 /nfs/dbraw/zinc/61/56/53/658615653.db2.gz LPLYDYHMNRDFJP-LBPRGKRZSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@H](CN1C(=O)N[C@@H](C[NH+](C)C)C1=O)[N@H+](C)C1CC1 ZINC000924582187 658616709 /nfs/dbraw/zinc/61/67/09/658616709.db2.gz JBUVLFYQRNHPEN-KOLCDFICSA-N 2 0 268.361 -0.049 20 0 CBADRP O=C(NC[C@@H]1CN(CCF)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958592465 658670639 /nfs/dbraw/zinc/67/06/39/658670639.db2.gz QBBUSIMDUHYIEI-VXGBXAGGSA-N 2 0 285.363 -0.539 20 0 CBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2C)n1 ZINC000924979111 658682584 /nfs/dbraw/zinc/68/25/84/658682584.db2.gz LZEIPODIEFEKET-VXGBXAGGSA-N 2 0 295.387 -0.761 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2C)CCC1 ZINC000924979016 658682678 /nfs/dbraw/zinc/68/26/78/658682678.db2.gz CXRUXWZYADYUFH-MNOVXSKESA-N 2 0 255.362 -0.348 20 0 CBADRP C[NH+](C)CCn1nccc1C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1C ZINC000924979128 658686849 /nfs/dbraw/zinc/68/68/49/658686849.db2.gz MBZGAIOYCPKPBO-VXGBXAGGSA-N 2 0 295.387 -0.761 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000925341779 658830898 /nfs/dbraw/zinc/83/08/98/658830898.db2.gz JPFLLQRZCGKEOZ-XQHKEYJVSA-N 2 0 282.388 -0.461 20 0 CBADRP C[NH+](C)C[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C)CCO1 ZINC000925405354 658837957 /nfs/dbraw/zinc/83/79/57/658837957.db2.gz FWGVVLRSUXKEJJ-RYUDHWBXSA-N 2 0 270.377 -0.338 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000925409324 658839367 /nfs/dbraw/zinc/83/93/67/658839367.db2.gz FJRISLHCHPMOMJ-LLVKDONJSA-N 2 0 270.377 -0.554 20 0 CBADRP CCN1CC[NH+](C[C@@H](C)CN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925488763 658856362 /nfs/dbraw/zinc/85/63/62/658856362.db2.gz GIJKNYIOJXNERS-LSDHHAIUSA-N 2 0 284.448 -0.162 20 0 CBADRP C[NH+](C)C1(CN[C@H]2C[NH2+]CCOC2)CCOCC1 ZINC000925487524 658856576 /nfs/dbraw/zinc/85/65/76/658856576.db2.gz CXXHOXJXHVQYHL-LBPRGKRZSA-N 2 0 257.378 -0.325 20 0 CBADRP C[C@@H](CN[C@@H]1C[NH2+]CCOC1)C[NH+]1CCN(C)CC1 ZINC000925491723 658856935 /nfs/dbraw/zinc/85/69/35/658856935.db2.gz QYRGKGGBEXRYRX-UONOGXRCSA-N 2 0 270.421 -0.552 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000962573610 658857929 /nfs/dbraw/zinc/85/79/29/658857929.db2.gz XCBWAMYOXHWKNB-PJXYFTJBSA-N 2 0 253.346 -0.879 20 0 CBADRP C[NH+](C)C1CCN(CCN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925531891 658858262 /nfs/dbraw/zinc/85/82/62/658858262.db2.gz SJUYVIHTNLUDTI-ZDUSSCGKSA-N 2 0 270.421 -0.410 20 0 CBADRP COC1CC[NH+](CCN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925540599 658858454 /nfs/dbraw/zinc/85/84/54/658858454.db2.gz CYHYRBDNNYFDEV-LBPRGKRZSA-N 2 0 257.378 -0.325 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCN[C@H]1C[NH2+]CCOC1 ZINC000925554957 658859577 /nfs/dbraw/zinc/85/95/77/658859577.db2.gz BXAPLIDFFCMYKN-UONOGXRCSA-N 2 0 298.431 -0.493 20 0 CBADRP CS(=O)(=O)CCOCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925577023 658860034 /nfs/dbraw/zinc/86/00/34/658860034.db2.gz ZSBBRRNVOILVHA-QWRGUYRKSA-N 2 0 276.402 -0.093 20 0 CBADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)C12CCC2 ZINC000925632516 658863532 /nfs/dbraw/zinc/86/35/32/658863532.db2.gz SJWBBJQILFQYET-GHMZBOCLSA-N 2 0 263.345 -0.001 20 0 CBADRP [NH3+][C@H]1C[C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)C12CCC2 ZINC000925632928 658863633 /nfs/dbraw/zinc/86/36/33/658863633.db2.gz SJWBBJQILFQYET-WDEREUQCSA-N 2 0 263.345 -0.001 20 0 CBADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000925621270 658863674 /nfs/dbraw/zinc/86/36/74/658863674.db2.gz GPCKEOAIHUZRDI-WDEREUQCSA-N 2 0 275.418 -0.002 20 0 CBADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000925621266 658863941 /nfs/dbraw/zinc/86/39/41/658863941.db2.gz GPCKEOAIHUZRDI-MNOVXSKESA-N 2 0 275.418 -0.002 20 0 CBADRP C1C[C@@H]([NH+]2CCC(N[C@H]3C[NH2+]CCOC3)CC2)CO1 ZINC000925703706 658867048 /nfs/dbraw/zinc/86/70/48/658867048.db2.gz BDSNPXBPSLHCPI-UONOGXRCSA-N 2 0 269.389 -0.182 20 0 CBADRP COCC1(C[NH2+][C@@H]2CNCCOC2)CC[NH2+]CC1 ZINC000925701037 658867163 /nfs/dbraw/zinc/86/71/63/658867163.db2.gz UVHXHWLVWMRHKK-GFCCVEGCSA-N 2 0 257.378 -0.419 20 0 CBADRP [NH3+]CCCOCC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925720631 658867831 /nfs/dbraw/zinc/86/78/31/658867831.db2.gz ZUEFOWDIYNFCBD-MPZDIEGVSA-N 3 0 257.378 -0.306 20 0 CBADRP COC(=O)CCNC(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925719023 658867970 /nfs/dbraw/zinc/86/79/70/658867970.db2.gz PVHHQNBGAUVFRM-GHMZBOCLSA-N 2 0 283.372 -0.085 20 0 CBADRP CN1CCOC[C@@H]1C[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925719658 658868003 /nfs/dbraw/zinc/86/80/03/658868003.db2.gz ULBBHYDIDPHGKR-NDKCEZKHSA-N 2 0 269.389 -0.341 20 0 CBADRP O[C@@H]1CC[N@H+](CCN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925719798 658868058 /nfs/dbraw/zinc/86/80/58/658868058.db2.gz TZYVLVIKNFDFLI-BSCCGWMCSA-N 2 0 251.374 -0.361 20 0 CBADRP C(N[C@H]1C[NH2+]CCOC1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000925732517 658868734 /nfs/dbraw/zinc/86/87/34/658868734.db2.gz YKFDMRKEGDBIGD-QWHCGFSZSA-N 2 0 269.389 -0.277 20 0 CBADRP O=C1NCCN1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000925777591 658870672 /nfs/dbraw/zinc/87/06/72/658870672.db2.gz OSGBNJVPDXYRGX-SDDRHHMPSA-N 2 0 252.362 -0.011 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)C1C[NH2+]C1 ZINC000925771421 658871142 /nfs/dbraw/zinc/87/11/42/658871142.db2.gz YBNGRWSRIPDJER-ZBFHGGJFSA-N 2 0 296.459 -0.020 20 0 CBADRP C[NH+](C)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000926329660 658892721 /nfs/dbraw/zinc/89/27/21/658892721.db2.gz GPOKNFAUYKWYCQ-XQQFMLRXSA-N 2 0 294.399 -0.783 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)CC[C@@H]1C[NH3+] ZINC000926330820 658893036 /nfs/dbraw/zinc/89/30/36/658893036.db2.gz OFGBLJBOLZDBAZ-UPJWGTAASA-N 2 0 296.415 -0.408 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000926335105 658893254 /nfs/dbraw/zinc/89/32/54/658893254.db2.gz PVSWWGCJFRTEQX-QWHCGFSZSA-N 2 0 294.399 -0.510 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926359587 658896937 /nfs/dbraw/zinc/89/69/37/658896937.db2.gz JCWPRHIYKJYDMW-LBPRGKRZSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C[C@H]1[NH3+] ZINC000926418568 658899877 /nfs/dbraw/zinc/89/98/77/658899877.db2.gz KDOSEHSCFBFXIW-LALPHHSUSA-N 2 0 294.399 -0.654 20 0 CBADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCN1CCNC1=O ZINC000926872189 658916928 /nfs/dbraw/zinc/91/69/28/658916928.db2.gz AMNATSCLIXKUDV-FOSCPWQOSA-N 2 0 252.362 -0.059 20 0 CBADRP CN1CCOC[C@]1(CO)C[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000926890793 658918103 /nfs/dbraw/zinc/91/81/03/658918103.db2.gz DSRZMKGNYGUOOD-IZGVIRRGSA-N 2 0 283.416 -0.391 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC000968728641 658940760 /nfs/dbraw/zinc/94/07/60/658940760.db2.gz STKYATBMYVVNMG-GMTAPVOTSA-N 2 0 268.361 -0.998 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC000969135229 658949875 /nfs/dbraw/zinc/94/98/75/658949875.db2.gz DZKMFYBBUSUYGG-WDEREUQCSA-N 2 0 291.355 -0.879 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC000969814130 659020478 /nfs/dbraw/zinc/02/04/78/659020478.db2.gz ISECFXUIYHYAEU-ZYHUDNBSSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+](CCO)C1 ZINC000969968409 659027610 /nfs/dbraw/zinc/02/76/10/659027610.db2.gz ITQPJKBACNFLPY-YPMHNXCESA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2C)CC1=O ZINC000928562306 659045368 /nfs/dbraw/zinc/04/53/68/659045368.db2.gz HVEVKEGJGRIUNB-RYUDHWBXSA-N 2 0 282.388 -0.783 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000970719646 659069972 /nfs/dbraw/zinc/06/99/72/659069972.db2.gz KGORUHYYGBZZOO-VXGBXAGGSA-N 2 0 280.372 -0.839 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCO)C1 ZINC000970879354 659073560 /nfs/dbraw/zinc/07/35/60/659073560.db2.gz VTBDXHNHJFXGDK-WDEREUQCSA-N 2 0 255.362 -0.633 20 0 CBADRP C[C@H](O)[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000929836045 659179159 /nfs/dbraw/zinc/17/91/59/659179159.db2.gz PHMAGXAYUWENQU-AAEUAGOBSA-N 2 0 251.330 -0.055 20 0 CBADRP C[C@@H](O)[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000929836048 659179240 /nfs/dbraw/zinc/17/92/40/659179240.db2.gz PHMAGXAYUWENQU-YPMHNXCESA-N 2 0 251.330 -0.055 20 0 CBADRP O=C(NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)C12CCC[NH+]1CCC2 ZINC000978401788 659218025 /nfs/dbraw/zinc/21/80/25/659218025.db2.gz PDDJVECLZQLRBY-ZSOGYDGISA-N 2 0 293.411 -0.099 20 0 CBADRP CO[C@@H](C)C[N@@H+]1CCCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000980893584 659298551 /nfs/dbraw/zinc/29/85/51/659298551.db2.gz NIBMMLZAEJXYPW-UONOGXRCSA-N 2 0 299.415 -0.114 20 0 CBADRP O=C([C@H]1C[NH+]2CCC[C@@H]2CO1)N1CCC[N@@H+](CCO)CC1 ZINC000981208708 659310496 /nfs/dbraw/zinc/31/04/96/659310496.db2.gz BOKBUZLGUFSEIJ-ZIAGYGMSSA-N 2 0 297.399 -0.624 20 0 CBADRP C[C@H]1C[N@H+](CCO)CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000930675398 659320483 /nfs/dbraw/zinc/32/04/83/659320483.db2.gz OPEIOGVWVBGXMD-KBPBESRZSA-N 2 0 271.405 -0.559 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981529040 659320550 /nfs/dbraw/zinc/32/05/50/659320550.db2.gz XMOGKTOSLJKGKS-VXGBXAGGSA-N 2 0 282.388 -0.416 20 0 CBADRP C[C@@H]1C[N@H+](CCO)CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000930675401 659321190 /nfs/dbraw/zinc/32/11/90/659321190.db2.gz OPEIOGVWVBGXMD-ZIAGYGMSSA-N 2 0 271.405 -0.559 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC000985124612 659373573 /nfs/dbraw/zinc/37/35/73/659373573.db2.gz ZYEISMGCOJTFRZ-AVGNSLFASA-N 2 0 294.399 -0.545 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000985333114 659379097 /nfs/dbraw/zinc/37/90/97/659379097.db2.gz XRQRAZPYGFDRCC-AAEUAGOBSA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH+](C)CC(N)=O)CC2)C1 ZINC000985653187 659394949 /nfs/dbraw/zinc/39/49/49/659394949.db2.gz JCUBWGCYRMQFRR-GFCCVEGCSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH+](C)CC(N)=O)CC1 ZINC000985653901 659395225 /nfs/dbraw/zinc/39/52/25/659395225.db2.gz NADWUZHAGLLCEH-WCQYABFASA-N 2 0 296.415 -0.408 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC([NH+](C)CC(N)=O)CC1 ZINC000985647006 659395738 /nfs/dbraw/zinc/39/57/38/659395738.db2.gz NBMWEFVIBFMRDW-GFCCVEGCSA-N 2 0 296.415 -0.121 20 0 CBADRP C[N@@H+]1C[C@@]2(C)CN(CCN3C(=O)CNC3=O)C[C@@]2(C)C1 ZINC000931305824 659426954 /nfs/dbraw/zinc/42/69/54/659426954.db2.gz HPMOKXIPLOYUEM-OKILXGFUSA-N 2 0 280.372 -0.188 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CCc2[nH+]ccc(N)c2C1 ZINC000931516817 659478688 /nfs/dbraw/zinc/47/86/88/659478688.db2.gz BLFABQHNWUIAJO-GFCCVEGCSA-N 2 0 294.399 -0.039 20 0 CBADRP C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000987123500 659488733 /nfs/dbraw/zinc/48/87/33/659488733.db2.gz KLHHVBBLFPKELP-DGCLKSJQSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987355471 659502551 /nfs/dbraw/zinc/50/25/51/659502551.db2.gz GPAHVJAZDKBYKG-GHMZBOCLSA-N 2 0 280.372 -0.854 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2C(=O)NCC2(C)C)CC1 ZINC000931664830 659506848 /nfs/dbraw/zinc/50/68/48/659506848.db2.gz DTFIMDOUDDNJPD-CYBMUJFWSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]1[C@@H]([NH2+]CCO)CCN1C(=O)C[NH+]1CCCC1 ZINC000987534164 659509930 /nfs/dbraw/zinc/50/99/30/659509930.db2.gz UWORBAUSBOLJNL-NEPJUHHUSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CC[NH+]1CCCCC1 ZINC000987570097 659512027 /nfs/dbraw/zinc/51/20/27/659512027.db2.gz KHWSJEIOBIPIOS-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1nnn(C)n1 ZINC000932253189 659586815 /nfs/dbraw/zinc/58/68/15/659586815.db2.gz QIXHQLSCHBFHDP-JTQLQIEISA-N 2 0 298.395 -0.396 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC000932262124 659589581 /nfs/dbraw/zinc/58/95/81/659589581.db2.gz MGBFWAQIUINSNA-ZDUSSCGKSA-N 2 0 299.415 -0.066 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[N@H+](CCO)CC1 ZINC000989671161 659605589 /nfs/dbraw/zinc/60/55/89/659605589.db2.gz VCRKEMLKNDNZFV-CQSZACIVSA-N 2 0 299.415 -0.519 20 0 CBADRP C[C@H](O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000989661024 659606419 /nfs/dbraw/zinc/60/64/19/659606419.db2.gz FNLXIHSVAFQPJY-QWHCGFSZSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CCO)CN1C(=O)C[NH+]1CCCC1 ZINC000989796662 659615009 /nfs/dbraw/zinc/61/50/09/659615009.db2.gz PCXKAQPIYKPMID-NEPJUHHUSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CC[NH+]1CCCCC1 ZINC000989829703 659617322 /nfs/dbraw/zinc/61/73/22/659617322.db2.gz VGSWWFXJDQEHCO-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000990275943 659710552 /nfs/dbraw/zinc/71/05/52/659710552.db2.gz FNYUMRKERIDVJK-CHWSQXEVSA-N 2 0 294.399 -0.450 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2COCC[C@H]2OC)CC1 ZINC000934043641 659766776 /nfs/dbraw/zinc/76/67/76/659766776.db2.gz NIKKNBXVWIHXBX-ZIAGYGMSSA-N 2 0 299.415 -0.020 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000934270008 659800111 /nfs/dbraw/zinc/80/01/11/659800111.db2.gz SDYUQCKTKPHAGD-RRFJBIMHSA-N 2 0 285.432 -0.170 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)COC1CC[NH+](C)CC1 ZINC000935433370 659831499 /nfs/dbraw/zinc/83/14/99/659831499.db2.gz YBOODLPTSXWTTJ-UHFFFAOYSA-N 2 0 287.404 -0.472 20 0 CBADRP CC[C@H](C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC000991708327 659841525 /nfs/dbraw/zinc/84/15/25/659841525.db2.gz FKTBXKVVSDLFHE-DGCLKSJQSA-N 2 0 296.415 -0.395 20 0 CBADRP C[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000991710330 659841705 /nfs/dbraw/zinc/84/17/05/659841705.db2.gz MNGJDSXYCDLZFU-YPMHNXCESA-N 2 0 294.399 -0.641 20 0 CBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCO ZINC000939550687 659891050 /nfs/dbraw/zinc/89/10/50/659891050.db2.gz ONWDVJVYJMWVDW-NEPJUHHUSA-N 2 0 267.373 -0.489 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCO)C(C)(C)C1 ZINC000995552357 659902333 /nfs/dbraw/zinc/90/23/33/659902333.db2.gz QOHWLTSJGBTSQE-RYUDHWBXSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H]1C[N@H+](CCO)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944167967 659934361 /nfs/dbraw/zinc/93/43/61/659934361.db2.gz HECIMKRMHSUKHE-OLZOCXBDSA-N 2 0 281.400 -0.099 20 0 CBADRP C[C@H]1C[N@H+](CCO)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944944535 659939093 /nfs/dbraw/zinc/93/90/93/659939093.db2.gz NANAKMZPWYXGSF-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000076399877 790358741 /nfs/dbraw/zinc/35/87/41/790358741.db2.gz QAQNMALPWCISNT-CQSZACIVSA-N 2 0 268.405 -0.702 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)c1cn(CC[NH3+])nn1 ZINC000089709223 790368156 /nfs/dbraw/zinc/36/81/56/790368156.db2.gz HZXQCHPCZAAZSA-UHFFFAOYSA-N 2 0 254.338 -0.740 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000089746538 790368916 /nfs/dbraw/zinc/36/89/16/790368916.db2.gz ZGAWNVUKHUWEGE-CYBMUJFWSA-N 2 0 268.405 -0.260 20 0 CBADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N1CCN(CCO)CC1 ZINC000136805011 790393601 /nfs/dbraw/zinc/39/36/01/790393601.db2.gz AZBIWJXYIZSKLJ-NSHDSACASA-N 2 0 257.378 -0.114 20 0 CBADRP COC[C@H](C)OC[C@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000234805923 790444742 /nfs/dbraw/zinc/44/47/42/790444742.db2.gz UZKRVXFBSGSFHX-UONOGXRCSA-N 2 0 289.420 -0.764 20 0 CBADRP CN(C)C(=O)CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000302684555 790470679 /nfs/dbraw/zinc/47/06/79/790470679.db2.gz QXKRBVKXKPNOKQ-LBPRGKRZSA-N 2 0 254.378 -0.556 20 0 CBADRP [NH3+][C@H](CC(F)F)C(=O)N1CCN(CCO)CC1 ZINC000383392534 790529587 /nfs/dbraw/zinc/52/95/87/790529587.db2.gz LCDVQNAIPXLSGX-MRVPVSSYSA-N 2 0 251.277 -0.895 20 0 CBADRP COC1(C(=O)NC[C@@H]2CC[N@H+](C)C2)CC[NH2+]CC1 ZINC000385332247 790539167 /nfs/dbraw/zinc/53/91/67/790539167.db2.gz QJDSKXUYUHQMSE-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP COC1(C(=O)NC2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000385351845 790539436 /nfs/dbraw/zinc/53/94/36/790539436.db2.gz QTDDXAGDSXSCLT-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385139309 790539487 /nfs/dbraw/zinc/53/94/87/790539487.db2.gz LVLSQNZBBZQAIJ-IGQOVBAYSA-N 2 0 271.405 -0.583 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000386291129 790545090 /nfs/dbraw/zinc/54/50/90/790545090.db2.gz CVHHIKKKVWUEOM-OLZOCXBDSA-N 2 0 259.394 -0.405 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000386059434 790546611 /nfs/dbraw/zinc/54/66/11/790546611.db2.gz DFQXXSUPGWUPAB-LPEHRKFASA-N 2 0 254.334 -0.628 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000386343914 790548072 /nfs/dbraw/zinc/54/80/72/790548072.db2.gz LZCINABJRGQPDU-AVGNSLFASA-N 2 0 259.394 -0.392 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[NH+](CCO)CC2)C1 ZINC000386334312 790548225 /nfs/dbraw/zinc/54/82/25/790548225.db2.gz QJJNJWNDWOHBHF-GFCCVEGCSA-N 2 0 255.362 -0.535 20 0 CBADRP CC1(C)C[N@H+](CC(=O)N2CC[NH2+]CC2)CCCO1 ZINC000386556366 790548443 /nfs/dbraw/zinc/54/84/43/790548443.db2.gz URXCASBRALINIH-UHFFFAOYSA-N 2 0 255.362 -0.081 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000388376046 790555651 /nfs/dbraw/zinc/55/56/51/790555651.db2.gz QMFZUAWSZYMWPX-HZSPNIEDSA-N 2 0 271.405 -0.248 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@H](C)[C@H]1C[NH3+] ZINC000388673181 790558480 /nfs/dbraw/zinc/55/84/80/790558480.db2.gz CXMZZMLKCLEPAY-MELADBBJSA-N 2 0 273.421 -0.015 20 0 CBADRP O=C1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCN1 ZINC000396673254 790582126 /nfs/dbraw/zinc/58/21/26/790582126.db2.gz ASGPVCMKBLKVHB-NWDGAFQWSA-N 2 0 255.362 -0.299 20 0 CBADRP C[NH+](C)C1(CNS(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000398002525 790594859 /nfs/dbraw/zinc/59/48/59/790594859.db2.gz UFQTULIKLRPUSI-JTQLQIEISA-N 2 0 261.391 -0.248 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCN2CCOC2=O)C1 ZINC000403184924 790611010 /nfs/dbraw/zinc/61/10/10/790611010.db2.gz RRVBKQIITJNSKI-LLVKDONJSA-N 2 0 284.360 -0.775 20 0 CBADRP CS(=O)(=O)NCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405381821 790615669 /nfs/dbraw/zinc/61/56/69/790615669.db2.gz DDXZCWUUSCDDLJ-ZJUUUORDSA-N 2 0 261.391 -0.215 20 0 CBADRP O[C@@H](CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C[NH+]1CCCC1 ZINC000405258785 790616258 /nfs/dbraw/zinc/61/62/58/790616258.db2.gz NNWDXALGPOONJT-BFHYXJOUSA-N 2 0 269.389 -0.806 20 0 CBADRP CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000405208544 790616621 /nfs/dbraw/zinc/61/66/21/790616621.db2.gz BMSIZKPPXMMROT-GARJFASQSA-N 2 0 273.402 -0.120 20 0 CBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCN1CCCS1(=O)=O ZINC000405500711 790618361 /nfs/dbraw/zinc/61/83/61/790618361.db2.gz SLRYGTGOHYPUCX-UWVGGRQHSA-N 2 0 261.391 -0.263 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000686191469 790648919 /nfs/dbraw/zinc/64/89/19/790648919.db2.gz AGTCSFGRWOAKPS-NSHDSACASA-N 2 0 255.362 -0.489 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000692012305 790675968 /nfs/dbraw/zinc/67/59/68/790675968.db2.gz CCFUKJHJKPLGDP-TUAOUCFPSA-N 2 0 255.362 -0.036 20 0 CBADRP O=S1(=O)CCCN1CCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000695115046 790687192 /nfs/dbraw/zinc/68/71/92/790687192.db2.gz MZZWCUHMZKWECN-GFCCVEGCSA-N 2 0 273.402 -0.293 20 0 CBADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)CC[C@@H]1C[NH3+] ZINC000695399395 790689120 /nfs/dbraw/zinc/68/91/20/790689120.db2.gz JYHPYAFWFCMDJS-NXEZZACHSA-N 2 0 254.334 -0.545 20 0 CBADRP C[NH2+]CCOCCN(C)CCN1CCCS1(=O)=O ZINC000695237346 790689675 /nfs/dbraw/zinc/68/96/75/790689675.db2.gz WAFMPMSZYOEWPD-UHFFFAOYSA-N 2 0 279.406 -0.810 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)C[C@H]3COCC[NH2+]3)C[C@H]2C1 ZINC000706995528 790728754 /nfs/dbraw/zinc/72/87/54/790728754.db2.gz SFJQPIADVLCAFF-TUAOUCFPSA-N 2 0 253.346 -0.615 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)C[C@@H]3COCC[NH2+]3)C[C@H]2C1 ZINC000706995521 790729466 /nfs/dbraw/zinc/72/94/66/790729466.db2.gz SFJQPIADVLCAFF-GRYCIOLGSA-N 2 0 253.346 -0.615 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)[C@]3(C)C[NH2+]CCO3)C[C@]2(C)C1 ZINC000710783334 790740633 /nfs/dbraw/zinc/74/06/33/790740633.db2.gz LXXBWZQXFXTMCR-XBFCOCLRSA-N 2 0 267.373 -0.225 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000711246702 790744629 /nfs/dbraw/zinc/74/46/29/790744629.db2.gz AMCKYJJQLPVUTD-STQMWFEESA-N 2 0 280.416 -0.262 20 0 CBADRP C[NH+](C)C[C@]1(O)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000715853161 790751781 /nfs/dbraw/zinc/75/17/81/790751781.db2.gz HKBMHAZQJVJCCF-CQSZACIVSA-N 2 0 267.373 -0.393 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC000715115621 790751409 /nfs/dbraw/zinc/75/14/09/790751409.db2.gz NIGIFJBTSSPVTD-VXGBXAGGSA-N 2 0 255.362 -0.238 20 0 CBADRP C[C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000720416459 790764870 /nfs/dbraw/zinc/76/48/70/790764870.db2.gz PXQUFZRTZLFCDC-LBPRGKRZSA-N 2 0 255.362 -0.081 20 0 CBADRP COC[C@@H](C)OC[C@H](O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720646101 790769429 /nfs/dbraw/zinc/76/94/29/790769429.db2.gz IMCRAKOBFODJLM-XJFOESAGSA-N 2 0 272.389 -0.060 20 0 CBADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720635287 790769862 /nfs/dbraw/zinc/76/98/62/790769862.db2.gz XBCCJLHPGQZVTK-RWMBFGLXSA-N 2 0 258.362 -0.448 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720830994 790772276 /nfs/dbraw/zinc/77/22/76/790772276.db2.gz URRXMHDVRWSSAK-NWDGAFQWSA-N 2 0 259.394 -0.405 20 0 CBADRP CN1C[C@H](CC[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1=O ZINC000723370905 790799289 /nfs/dbraw/zinc/79/92/89/790799289.db2.gz NWDVECUFXGXIQR-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723696856 790801935 /nfs/dbraw/zinc/80/19/35/790801935.db2.gz ZIAXPGUDQVJQLU-GFCCVEGCSA-N 2 0 284.404 -0.358 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000724937515 790814603 /nfs/dbraw/zinc/81/46/03/790814603.db2.gz VNLUDWLCRXDZGI-CHWSQXEVSA-N 2 0 285.388 -0.421 20 0 CBADRP C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)O[C@H]1CCOC1 ZINC000724930050 790814432 /nfs/dbraw/zinc/81/44/32/790814432.db2.gz GDUZYRVBJFXIHL-KBPBESRZSA-N 2 0 269.389 -0.229 20 0 CBADRP O[C@@H](C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)C[NH+]1CCCC1 ZINC000724591327 790808446 /nfs/dbraw/zinc/80/84/46/790808446.db2.gz NURSQLVNKJCINB-RFGFWPKPSA-N 2 0 270.373 -0.163 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN(C)C1(C[NH3+])CCOCC1 ZINC000725048873 790816726 /nfs/dbraw/zinc/81/67/26/790816726.db2.gz QTEMFRVIIHMFIR-ZDUSSCGKSA-N 2 0 289.420 -0.635 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000822126695 790832158 /nfs/dbraw/zinc/83/21/58/790832158.db2.gz BLOITLFBFHAINX-ZIAGYGMSSA-N 2 0 271.405 -0.247 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)CN1CC[NH2+]CC1 ZINC000822123734 790832816 /nfs/dbraw/zinc/83/28/16/790832816.db2.gz CEASEBKHDYZLKG-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866821829 790902370 /nfs/dbraw/zinc/90/23/70/790902370.db2.gz AVYOMYJPIOFEDX-SRVKXCTJSA-N 2 0 289.401 -0.869 20 0 CBADRP C[NH+](C)C1CC(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000908011204 790912686 /nfs/dbraw/zinc/91/26/86/790912686.db2.gz COEVPMVXBFWLHK-TWHWIZHFSA-N 2 0 255.362 -0.350 20 0 CBADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000923525280 790923362 /nfs/dbraw/zinc/92/33/62/790923362.db2.gz DQSLMGZDYNHDBO-YPMHNXCESA-N 2 0 271.361 -0.223 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(N)=O)C1 ZINC001021460909 790941103 /nfs/dbraw/zinc/94/11/03/790941103.db2.gz ODNMHWVOEWVTFT-WODVXLOZSA-N 2 0 294.399 -0.465 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001021896051 790966400 /nfs/dbraw/zinc/96/64/00/790966400.db2.gz UIFYZZZUFQBZQB-XQQFMLRXSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001021906783 790968754 /nfs/dbraw/zinc/96/87/54/790968754.db2.gz YIASNRMYFQTLLX-NNYUYHANSA-N 2 0 255.362 -0.302 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001021906643 790969643 /nfs/dbraw/zinc/96/96/43/790969643.db2.gz UCFOSCJQYJIXHC-WHOHXGKFSA-N 2 0 282.388 -0.419 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001021906272 790969754 /nfs/dbraw/zinc/96/97/54/790969754.db2.gz JSFFAWPJEJOWQB-XQQFMLRXSA-N 2 0 292.387 -0.391 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001021906271 790969031 /nfs/dbraw/zinc/96/90/31/790969031.db2.gz JSFFAWPJEJOWQB-FRRDWIJNSA-N 2 0 292.387 -0.391 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022071423 790986551 /nfs/dbraw/zinc/98/65/51/790986551.db2.gz PNXZGEMKLJLBTK-TUAOUCFPSA-N 2 0 282.388 -0.419 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001022289965 791001885 /nfs/dbraw/zinc/00/18/85/791001885.db2.gz DIVPEINEQVVBNN-YFKTTZPYSA-N 2 0 282.388 -0.419 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1)C(N)=O ZINC001022361656 791008523 /nfs/dbraw/zinc/00/85/23/791008523.db2.gz YONNVGAWLRFKBH-UTUOFQBUSA-N 2 0 294.399 -0.275 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)CC[N@@H+]1C ZINC001022601917 791031320 /nfs/dbraw/zinc/03/13/20/791031320.db2.gz XRTHAQBJCCTUPP-ZDEQEGDKSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001022716486 791040434 /nfs/dbraw/zinc/04/04/34/791040434.db2.gz XTMUOYFIAFKVPT-WUHRBBMRSA-N 2 0 294.399 -0.547 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001147893452 814924348 /nfs/dbraw/zinc/92/43/48/814924348.db2.gz QQEJTYQKSJKDFK-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001077553977 805745767 /nfs/dbraw/zinc/74/57/67/805745767.db2.gz XOCMOTYQGYFKDO-MGPQQGTHSA-N 2 0 299.415 -0.738 20 0 CBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@H]1CCOC1 ZINC001147893704 814924709 /nfs/dbraw/zinc/92/47/09/814924709.db2.gz RQJBDZATTWLHSJ-GFCCVEGCSA-N 2 0 273.377 -0.693 20 0 CBADRP Cc1nccnc1C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147893991 814924867 /nfs/dbraw/zinc/92/48/67/814924867.db2.gz XAYVSMFYTWWDIB-UHFFFAOYSA-N 2 0 295.387 -0.431 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CC3CC3)C[C@H]2O)C1 ZINC001077679037 805767070 /nfs/dbraw/zinc/76/70/70/805767070.db2.gz FIIUKQKOWJCFOW-MRVWCRGKSA-N 2 0 281.400 -0.101 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001078018224 805823527 /nfs/dbraw/zinc/82/35/27/805823527.db2.gz UDDSGUDKYDEMMG-DGCLKSJQSA-N 2 0 278.356 -0.058 20 0 CBADRP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078008640 805821384 /nfs/dbraw/zinc/82/13/84/805821384.db2.gz OLCVVOHTPUSXRJ-JHJVBQTASA-N 2 0 269.389 -0.101 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001078812379 805891572 /nfs/dbraw/zinc/89/15/72/805891572.db2.gz JLOANYRMICCPSL-RYUDHWBXSA-N 2 0 294.399 -0.416 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001147900684 814926339 /nfs/dbraw/zinc/92/63/39/814926339.db2.gz UIULCHPYVGBVPP-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147971034 814928286 /nfs/dbraw/zinc/92/82/86/814928286.db2.gz UFIZYWCXTVGNDU-UHFFFAOYSA-N 2 0 292.387 -0.400 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2OC)CC[N@@H+]1C ZINC001081699411 806115764 /nfs/dbraw/zinc/11/57/64/806115764.db2.gz VBZVKXYLFYHDAH-REWJHTLYSA-N 2 0 299.415 -0.476 20 0 CBADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326892 806165211 /nfs/dbraw/zinc/16/52/11/806165211.db2.gz UFYDNCORTVVWOF-YNEHKIRRSA-N 2 0 285.388 -0.864 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CCO ZINC001082515272 806184603 /nfs/dbraw/zinc/18/46/03/806184603.db2.gz HDQGXQATKJAGGN-KWCYVHTRSA-N 2 0 281.400 -0.243 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001082742541 806193749 /nfs/dbraw/zinc/19/37/49/806193749.db2.gz JIMOHPUFHHHUQT-IJLUTSLNSA-N 2 0 282.388 -0.750 20 0 CBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CCO ZINC001082740822 806193914 /nfs/dbraw/zinc/19/39/14/806193914.db2.gz HKAGZHFJXBDBGF-FRRDWIJNSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)C(N)=O ZINC001082921468 806198569 /nfs/dbraw/zinc/19/85/69/806198569.db2.gz MXQWXSJWTZBYEY-FRRDWIJNSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082921945 806198907 /nfs/dbraw/zinc/19/89/07/806198907.db2.gz YKDNVCLFUCTOIB-FRRDWIJNSA-N 2 0 294.399 -0.593 20 0 CBADRP COC[C@@H](C)[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147994624 814929725 /nfs/dbraw/zinc/92/97/25/814929725.db2.gz MHLSEGIBPLROGZ-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCCO)C[C@@H]32)C1 ZINC001083275018 806243916 /nfs/dbraw/zinc/24/39/16/806243916.db2.gz LMVQWHXCSSUGSB-HZSPNIEDSA-N 2 0 297.399 -0.768 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)CC[N@@H+]1C ZINC001083473930 806334405 /nfs/dbraw/zinc/33/44/05/806334405.db2.gz FKKQFKIGMVEWPE-DGAVXFQQSA-N 2 0 299.415 -0.740 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001083519005 806351452 /nfs/dbraw/zinc/35/14/52/806351452.db2.gz ZFQNRUBRVQSTMW-MJBXVCDLSA-N 2 0 299.415 -0.882 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C)C(N)=O ZINC001148051275 814930388 /nfs/dbraw/zinc/93/03/88/814930388.db2.gz FZSFXAJKOZOJRU-SECBINFHSA-N 2 0 279.344 -0.659 20 0 CBADRP COCC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833024 806441835 /nfs/dbraw/zinc/44/18/35/806441835.db2.gz FYUQCEZUXWVFQP-KGLIPLIRSA-N 2 0 299.415 -0.474 20 0 CBADRP CC(C)[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084056705 806481333 /nfs/dbraw/zinc/48/13/33/806481333.db2.gz KPIVKABHVBTLOZ-UTUOFQBUSA-N 2 0 255.362 -0.492 20 0 CBADRP CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084056715 806482229 /nfs/dbraw/zinc/48/22/29/806482229.db2.gz KXHDXVNQUDJTDB-TUAOUCFPSA-N 2 0 255.362 -0.491 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCCO)C[C@H]21 ZINC001084231587 806503910 /nfs/dbraw/zinc/50/39/10/806503910.db2.gz FBAYUPXHQASZMW-MGPQQGTHSA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@H](C(N)=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001084831786 806537337 /nfs/dbraw/zinc/53/73/37/806537337.db2.gz ZMOYXEYWQKZULU-JHJVBQTASA-N 2 0 294.399 -0.511 20 0 CBADRP CCN1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCO)C[C@H]32)C1 ZINC001084844119 806539165 /nfs/dbraw/zinc/53/91/65/806539165.db2.gz GYRCYFNKYJRJLF-MGPQQGTHSA-N 2 0 297.399 -0.768 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085152532 806548748 /nfs/dbraw/zinc/54/87/48/806548748.db2.gz HYFMCPUUHCPHNO-UTUOFQBUSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927759 806623170 /nfs/dbraw/zinc/62/31/70/806623170.db2.gz GILXMTVTSOOURI-QWHCGFSZSA-N 2 0 281.400 -0.004 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001086047520 806638672 /nfs/dbraw/zinc/63/86/72/806638672.db2.gz TTYQTFBAADPRSV-QNWHQSFQSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001086047068 806639042 /nfs/dbraw/zinc/63/90/42/806639042.db2.gz CSFVMNXUUGOETQ-WISYIIOYSA-N 2 0 282.388 -0.561 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)cn1 ZINC001022838357 798843379 /nfs/dbraw/zinc/84/33/79/798843379.db2.gz LUSORISXIKEKJQ-BETUJISGSA-N 2 0 295.387 -0.713 20 0 CBADRP C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1)C(N)=O ZINC001022885897 798863526 /nfs/dbraw/zinc/86/35/26/798863526.db2.gz VFNMZCDTNRQZID-UPJWGTAASA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022975725 798870138 /nfs/dbraw/zinc/87/01/38/798870138.db2.gz SJEFUSMKUTZAHW-NDBYEHHHSA-N 2 0 296.415 -0.171 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001022973535 798870227 /nfs/dbraw/zinc/87/02/27/798870227.db2.gz OBJMAIPRRJPRPR-WUHRBBMRSA-N 2 0 294.399 -0.547 20 0 CBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)C12CC[NH+](CC1)C2 ZINC001022981626 798872126 /nfs/dbraw/zinc/87/21/26/798872126.db2.gz XDYRYXGKBFEOPK-PHIMTYICSA-N 2 0 253.346 -0.689 20 0 CBADRP CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1=O ZINC001023086874 798879372 /nfs/dbraw/zinc/87/93/72/798879372.db2.gz ZVURNLRDAYIRSJ-WUHRBBMRSA-N 2 0 294.399 -0.594 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023086450 798879605 /nfs/dbraw/zinc/87/96/05/798879605.db2.gz MEJJGVAIJFVQHX-KXNHARMFSA-N 2 0 255.362 -0.444 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001023083930 798879825 /nfs/dbraw/zinc/87/98/25/798879825.db2.gz DPZISFOFMXPMKM-NDBYEHHHSA-N 2 0 294.399 -0.547 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001023083931 798880300 /nfs/dbraw/zinc/88/03/00/798880300.db2.gz DPZISFOFMXPMKM-RVMXOQNASA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023086448 798880494 /nfs/dbraw/zinc/88/04/94/798880494.db2.gz MEJJGVAIJFVQHX-FIQHERPVSA-N 2 0 255.362 -0.444 20 0 CBADRP Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023089055 798881133 /nfs/dbraw/zinc/88/11/33/798881133.db2.gz WUUYGAWVXAAOQE-TXEJJXNPSA-N 2 0 292.387 -0.352 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001023088924 798881290 /nfs/dbraw/zinc/88/12/90/798881290.db2.gz PLMQKUHIOMIGCM-GRYCIOLGSA-N 2 0 280.372 -0.793 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023088790 798881809 /nfs/dbraw/zinc/88/18/09/798881809.db2.gz JIEZXJQNONJXMO-SDDRHHMPSA-N 2 0 255.362 -0.300 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001023090584 798882028 /nfs/dbraw/zinc/88/20/28/798882028.db2.gz UUWOMJOIOXSVCT-BETUJISGSA-N 2 0 292.387 -0.389 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001023273147 798896152 /nfs/dbraw/zinc/89/61/52/798896152.db2.gz JSDAQGGZSANTSP-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001025708148 798971599 /nfs/dbraw/zinc/97/15/99/798971599.db2.gz KSYIMZJCEMKJAQ-IEECTRCBSA-N 2 0 267.373 -0.492 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001025787215 798976873 /nfs/dbraw/zinc/97/68/73/798976873.db2.gz AROKOIFXSCBENA-XFZHLKPQSA-N 2 0 293.411 -0.245 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC001026045787 798987791 /nfs/dbraw/zinc/98/77/91/798987791.db2.gz JNJAGHGFSXUPCX-JZRPKSSGSA-N 2 0 267.373 -0.777 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC001026045784 798987855 /nfs/dbraw/zinc/98/78/55/798987855.db2.gz JNJAGHGFSXUPCX-FHUSYTEZSA-N 2 0 267.373 -0.777 20 0 CBADRP O=C(N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@H]2C1)C12CC[NH+](CC1)C2 ZINC001026402298 799004054 /nfs/dbraw/zinc/00/40/54/799004054.db2.gz DOHRORNOKAYOQB-MELADBBJSA-N 2 0 293.411 -0.099 20 0 CBADRP O=C(N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001026402296 799004786 /nfs/dbraw/zinc/00/47/86/799004786.db2.gz DOHRORNOKAYOQB-BFHYXJOUSA-N 2 0 293.411 -0.099 20 0 CBADRP C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001027680921 799065423 /nfs/dbraw/zinc/06/54/23/799065423.db2.gz LZRSJKAPGUBVPB-QWHCGFSZSA-N 2 0 269.389 -0.147 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCO ZINC001027789324 799078121 /nfs/dbraw/zinc/07/81/21/799078121.db2.gz HFHKRHFDPUJYFW-VXGBXAGGSA-N 2 0 255.362 -0.347 20 0 CBADRP CN(C)C(=O)CN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001028313937 799121765 /nfs/dbraw/zinc/12/17/65/799121765.db2.gz DERWWKQLVPSGRG-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001028447098 799137624 /nfs/dbraw/zinc/13/76/24/799137624.db2.gz LUZANUXQKWEVOE-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001028446448 799138797 /nfs/dbraw/zinc/13/87/97/799138797.db2.gz GIGBNCPNXLLECO-WDEREUQCSA-N 2 0 268.361 -0.996 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001028537740 799150010 /nfs/dbraw/zinc/15/00/10/799150010.db2.gz REHWVRJKKZHPHQ-OLZOCXBDSA-N 2 0 296.415 -0.217 20 0 CBADRP NC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028546329 799151995 /nfs/dbraw/zinc/15/19/95/799151995.db2.gz ZEBNVPNOTCZRTI-DGCLKSJQSA-N 2 0 294.399 -0.748 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCO)C1 ZINC001028637528 799156323 /nfs/dbraw/zinc/15/63/23/799156323.db2.gz XTXPOSDBPYMIFF-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001028781290 799170234 /nfs/dbraw/zinc/17/02/34/799170234.db2.gz TXYDOHDDKUFAII-LBPRGKRZSA-N 2 0 269.389 -0.241 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028933738 799182012 /nfs/dbraw/zinc/18/20/12/799182012.db2.gz SRJPAGBBZMPPAC-STQMWFEESA-N 2 0 281.400 -0.099 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001028987207 799184300 /nfs/dbraw/zinc/18/43/00/799184300.db2.gz WBWCSMLXDWRYKN-NWDGAFQWSA-N 2 0 255.362 -0.632 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001029004200 799186272 /nfs/dbraw/zinc/18/62/72/799186272.db2.gz UTGRDBIPKMZQBV-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001030020086 799210935 /nfs/dbraw/zinc/21/09/35/799210935.db2.gz MPFQBBZGMMSYSE-GRYCIOLGSA-N 2 0 282.388 -0.465 20 0 CBADRP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001030020198 799211846 /nfs/dbraw/zinc/21/18/46/799211846.db2.gz XPBPAEOXZOHVGX-YNEHKIRRSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001030021682 799212890 /nfs/dbraw/zinc/21/28/90/799212890.db2.gz YZCCFHXONFNJEC-XQQFMLRXSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001030020535 799214001 /nfs/dbraw/zinc/21/40/01/799214001.db2.gz SCQDXOHSQFZIRF-AVGNSLFASA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001030020534 799214220 /nfs/dbraw/zinc/21/42/20/799214220.db2.gz SCQDXOHSQFZIRF-AGIUHOORSA-N 2 0 296.415 -0.075 20 0 CBADRP CN1CCO[C@@H](C(=O)NC2CN(CC[C@@H]3CCOC3)C2)C1 ZINC001030185105 799260687 /nfs/dbraw/zinc/26/06/87/799260687.db2.gz ZMHHMLCQTRKGOJ-TZMCWYRMSA-N 2 0 297.399 -0.456 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC2C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001031384823 799480777 /nfs/dbraw/zinc/48/07/77/799480777.db2.gz NDLAQBLQHKCXRJ-RYUDHWBXSA-N 2 0 267.373 -0.225 20 0 CBADRP C[NH+](C)CCn1ccc(C(=O)NCC2C[NH+](CCO)C2)n1 ZINC001031679313 799532197 /nfs/dbraw/zinc/53/21/97/799532197.db2.gz SEOIUVLLQKFRGD-UHFFFAOYSA-N 2 0 295.387 -0.901 20 0 CBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCO)C2)C1 ZINC001031923175 799562907 /nfs/dbraw/zinc/56/29/07/799562907.db2.gz VKHKYCYEXBCGHI-ZDUSSCGKSA-N 2 0 285.388 -0.864 20 0 CBADRP COCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031977422 799568209 /nfs/dbraw/zinc/56/82/09/799568209.db2.gz ZPIFJXNHWJORTJ-DGCLKSJQSA-N 2 0 269.389 -0.122 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031977079 799568782 /nfs/dbraw/zinc/56/87/82/799568782.db2.gz WDJASBVIALNGIQ-CMPLNLGQSA-N 2 0 255.362 -0.776 20 0 CBADRP COCC[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130550 799583821 /nfs/dbraw/zinc/58/38/21/799583821.db2.gz UWNGXPYPSBQYBF-UHFFFAOYSA-N 2 0 267.373 -0.223 20 0 CBADRP C[C@H](O)C[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130333 799584002 /nfs/dbraw/zinc/58/40/02/799584002.db2.gz LOJUFZKJOGTXCS-NSHDSACASA-N 2 0 267.373 -0.489 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CCn3cccn3)C2)C1 ZINC001032186739 799592625 /nfs/dbraw/zinc/59/26/25/799592625.db2.gz VLHBPJWKYCCMQR-AWEZNQCLSA-N 2 0 291.399 -0.117 20 0 CBADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033592821 799768509 /nfs/dbraw/zinc/76/85/09/799768509.db2.gz IABMNYGNICVLLJ-CYBMUJFWSA-N 2 0 281.400 -0.003 20 0 CBADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001034793401 799856381 /nfs/dbraw/zinc/85/63/81/799856381.db2.gz ZMCCAIGTRRWRFN-FDYHWXHSSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1)C(N)=O ZINC001034793504 799856545 /nfs/dbraw/zinc/85/65/45/799856545.db2.gz FYOKKWNSCMDOGS-AVGNSLFASA-N 2 0 296.415 -0.027 20 0 CBADRP CC(C)N1CCO[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001035325494 799891447 /nfs/dbraw/zinc/89/14/47/799891447.db2.gz BDPGCHRDWHZFBB-QWHCGFSZSA-N 2 0 285.388 -0.458 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCO)C2)CC1 ZINC001035668996 799958645 /nfs/dbraw/zinc/95/86/45/799958645.db2.gz NBMRNZPAYPRLEP-ZDUSSCGKSA-N 2 0 281.400 -0.003 20 0 CBADRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1[NH2+]CC(N)=O ZINC001036064053 799976440 /nfs/dbraw/zinc/97/64/40/799976440.db2.gz LJSZPKQVCSSBLB-WCQYABFASA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1[NH2+]CC(N)=O ZINC001036179615 799982518 /nfs/dbraw/zinc/98/25/18/799982518.db2.gz OBHIXUVTHRLPOP-WCQYABFASA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CC(N)=O ZINC001036301012 799986289 /nfs/dbraw/zinc/98/62/89/799986289.db2.gz WNBWGKQFQUXEDO-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CCO ZINC001036300124 799986906 /nfs/dbraw/zinc/98/69/06/799986906.db2.gz SPPQPNZOSZAYDS-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCO)C2)C1 ZINC001041142114 801369317 /nfs/dbraw/zinc/36/93/17/801369317.db2.gz UCYQJTSHUDPRFW-DZGCQCFKSA-N 2 0 281.400 -0.003 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(CC[NH+](CCO)C2)C1 ZINC001041142115 801369344 /nfs/dbraw/zinc/36/93/44/801369344.db2.gz UCYQJTSHUDPRFW-HIFRSBDPSA-N 2 0 281.400 -0.003 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CC(N)=O)C2)C1)[NH+](C)C ZINC001041691642 801413849 /nfs/dbraw/zinc/41/38/49/801413849.db2.gz FNBPWKGCHPOEPS-WFASDCNBSA-N 2 0 296.415 -0.264 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@]3(CC[NH+](CC(N)=O)C3)C2)C1 ZINC001041829569 801422356 /nfs/dbraw/zinc/42/23/56/801422356.db2.gz YBIHLWYNQIPNMA-DOMZBBRYSA-N 2 0 294.399 -0.652 20 0 CBADRP NC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001041835750 801422519 /nfs/dbraw/zinc/42/25/19/801422519.db2.gz WNQJCAWMWUKLHU-OAHLLOKOSA-N 2 0 294.399 -0.508 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044629687 801660197 /nfs/dbraw/zinc/66/01/97/801660197.db2.gz ONYPWUDOSUYZFF-VXGBXAGGSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044629685 801661186 /nfs/dbraw/zinc/66/11/86/801661186.db2.gz ONYPWUDOSUYZFF-NWDGAFQWSA-N 2 0 296.415 -0.075 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001045310903 801692685 /nfs/dbraw/zinc/69/26/85/801692685.db2.gz WBETXARWMODFDP-QWHCGFSZSA-N 2 0 294.399 -0.449 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCO)C2)CC1 ZINC001046589001 801778019 /nfs/dbraw/zinc/77/80/19/801778019.db2.gz WTIQGCXQOHBNGY-AWEZNQCLSA-N 2 0 269.389 -0.099 20 0 CBADRP CO[C@H](C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047484344 801882666 /nfs/dbraw/zinc/88/26/66/801882666.db2.gz UPYRQXXFWWHMOE-MQYQWHSLSA-N 2 0 299.415 -0.381 20 0 CBADRP COC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047486680 801882996 /nfs/dbraw/zinc/88/29/96/801882996.db2.gz NMOGJPKVCPCYKU-MQYQWHSLSA-N 2 0 299.415 -0.381 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001047527309 801893614 /nfs/dbraw/zinc/89/36/14/801893614.db2.gz BWWCHGZBHPZSGM-IHRRRGAJSA-N 2 0 299.415 -0.786 20 0 CBADRP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001047528364 801895996 /nfs/dbraw/zinc/89/59/96/801895996.db2.gz PCQLJVNOUPSSDR-RDBSUJKOSA-N 2 0 299.415 -0.379 20 0 CBADRP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047545031 801899214 /nfs/dbraw/zinc/89/92/14/801899214.db2.gz NRBOGPUFBIBHPW-QWRGUYRKSA-N 2 0 252.318 -0.524 20 0 CBADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001047627679 801913177 /nfs/dbraw/zinc/91/31/77/801913177.db2.gz TZLLPRRCZPHQEN-AGIUHOORSA-N 2 0 287.379 -0.199 20 0 CBADRP CC(C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001047629155 801914105 /nfs/dbraw/zinc/91/41/05/801914105.db2.gz RZFSNMCABFFTGS-AGIUHOORSA-N 2 0 269.389 -0.150 20 0 CBADRP C[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048723775 801955592 /nfs/dbraw/zinc/95/55/92/801955592.db2.gz PFTFTUARYJIHPM-FVCCEPFGSA-N 2 0 294.399 -0.655 20 0 CBADRP C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048723486 801956249 /nfs/dbraw/zinc/95/62/49/801956249.db2.gz FZPVOKDXDGRLPC-MQYQWHSLSA-N 2 0 281.400 -0.148 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CCO)C[C@@H]3C2)CC[N@@H+]1C ZINC001048828410 801973646 /nfs/dbraw/zinc/97/36/46/801973646.db2.gz VMNZWSFNOZMZHD-YIYPIFLZSA-N 2 0 281.400 -0.291 20 0 CBADRP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1)[NH+](C)C ZINC001048875846 801976307 /nfs/dbraw/zinc/97/63/07/801976307.db2.gz QEZLFHUSXUGWRV-MJBXVCDLSA-N 2 0 283.416 -0.045 20 0 CBADRP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1)[NH+](C)C ZINC001049039447 801992612 /nfs/dbraw/zinc/99/26/12/801992612.db2.gz QEZLFHUSXUGWRV-HZSPNIEDSA-N 2 0 283.416 -0.045 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1 ZINC001049059962 801995389 /nfs/dbraw/zinc/99/53/89/801995389.db2.gz KJHJDMWNRKINCD-RVMXOQNASA-N 2 0 294.399 -0.940 20 0 CBADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC)C[C@@H]2C1)[NH+](C)C ZINC001049064683 801996184 /nfs/dbraw/zinc/99/61/84/801996184.db2.gz JOIBXZFEVWQBQZ-XQQFMLRXSA-N 2 0 296.415 -0.537 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[NH+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049171001 802002925 /nfs/dbraw/zinc/00/29/25/802002925.db2.gz HQMWGHUBQJAURI-UPJWGTAASA-N 2 0 294.399 -0.796 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[NH+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049171000 802003048 /nfs/dbraw/zinc/00/30/48/802003048.db2.gz HQMWGHUBQJAURI-RWMBFGLXSA-N 2 0 294.399 -0.796 20 0 CBADRP C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001049173988 802003727 /nfs/dbraw/zinc/00/37/27/802003727.db2.gz JYOIWSAGAVXCLC-MELADBBJSA-N 2 0 293.411 -0.147 20 0 CBADRP C[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001049215483 802007820 /nfs/dbraw/zinc/00/78/20/802007820.db2.gz WKZRKMUXWCRHJA-UPJWGTAASA-N 2 0 294.399 -0.654 20 0 CBADRP NC(=O)C[NH+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001050755163 802071803 /nfs/dbraw/zinc/07/18/03/802071803.db2.gz IKPLMIWLSRIPKW-UHFFFAOYSA-N 2 0 294.399 -0.508 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC(N)=O)CC1 ZINC001052255211 802188485 /nfs/dbraw/zinc/18/84/85/802188485.db2.gz XNTPUSAEEASOMV-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC(N)=O)CC1 ZINC001052255209 802188929 /nfs/dbraw/zinc/18/89/29/802188929.db2.gz XNTPUSAEEASOMV-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC(N)=O)CC1 ZINC001052498401 802202102 /nfs/dbraw/zinc/20/21/02/802202102.db2.gz HICXXGXHEFVCIF-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]CC(N)=O ZINC001054853316 802375786 /nfs/dbraw/zinc/37/57/86/802375786.db2.gz FZOLIVDNKOLGLW-VXGBXAGGSA-N 2 0 294.399 -0.463 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001118134432 812475103 /nfs/dbraw/zinc/47/51/03/812475103.db2.gz AAVRHUKZEGIWIV-NSHDSACASA-N 2 0 268.361 -0.994 20 0 CBADRP CN(CCC[NH3+])C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001118495089 812558009 /nfs/dbraw/zinc/55/80/09/812558009.db2.gz QBOAQAPHMUVJOM-JTQLQIEISA-N 2 0 266.349 -0.377 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC[C@@H](C)[NH2+]C ZINC001118043930 812465705 /nfs/dbraw/zinc/46/57/05/812465705.db2.gz WSRSUSWGXDXNHK-VXGBXAGGSA-N 2 0 286.420 -0.053 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC001118043262 812465807 /nfs/dbraw/zinc/46/58/07/812465807.db2.gz KEVGDWYOZBYMFV-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP [NH3+]CC1(O)CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001119682207 812864459 /nfs/dbraw/zinc/86/44/59/812864459.db2.gz AXODCVXVZMGDKI-LLVKDONJSA-N 3 0 255.362 -0.850 20 0 CBADRP O[C@@H](C[NH2+]CCC[NH+]1CCCC1)C[C@@]1(O)CCOC1 ZINC001120243973 812940750 /nfs/dbraw/zinc/94/07/50/812940750.db2.gz JWMZJKRRNKFNCO-KGLIPLIRSA-N 2 0 272.389 -0.036 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001120243934 812941179 /nfs/dbraw/zinc/94/11/79/812941179.db2.gz IJSYSCUQAUJRNC-TZMCWYRMSA-N 2 0 268.405 -0.133 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001121928591 813091294 /nfs/dbraw/zinc/09/12/94/813091294.db2.gz RCNXKVRMYWIMAZ-ZIAGYGMSSA-N 2 0 297.447 -0.968 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001121930911 813091779 /nfs/dbraw/zinc/09/17/79/813091779.db2.gz YDLYHWWQKPSWBY-LOWVWBTDSA-N 2 0 255.362 -0.313 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)NCC2=CC[NH2+]CC2)C1=O ZINC001121931907 813092516 /nfs/dbraw/zinc/09/25/16/813092516.db2.gz DUULWQKGEOKCHL-GFCCVEGCSA-N 2 0 280.372 -0.780 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001121936644 813092585 /nfs/dbraw/zinc/09/25/85/813092585.db2.gz FLDNYYRFIHMWJS-WUHRBBMRSA-N 2 0 264.373 -0.948 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001122018129 813105585 /nfs/dbraw/zinc/10/55/85/813105585.db2.gz DZAQBIYUCRJOPS-STQMWFEESA-N 2 0 296.415 -0.229 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC001122103587 813117736 /nfs/dbraw/zinc/11/77/36/813117736.db2.gz OUXMSLVLOGKUKT-RYUDHWBXSA-N 2 0 268.405 -0.216 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC001122103588 813117892 /nfs/dbraw/zinc/11/78/92/813117892.db2.gz OUXMSLVLOGKUKT-VXGBXAGGSA-N 2 0 268.405 -0.216 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC001122103422 813118109 /nfs/dbraw/zinc/11/81/09/813118109.db2.gz JSBIXXBIMKNWKC-VHSXEESVSA-N 2 0 257.378 -0.021 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001122105484 813118161 /nfs/dbraw/zinc/11/81/61/813118161.db2.gz QFTCPTARAQFGEV-IQLKVPPVSA-N 2 0 265.357 -0.295 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC001122101192 813118199 /nfs/dbraw/zinc/11/81/99/813118199.db2.gz YBUNBXLSVSLMLN-NXEZZACHSA-N 2 0 261.391 -0.880 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001122131644 813121400 /nfs/dbraw/zinc/12/14/00/813121400.db2.gz BDHCFOIBLKVNRZ-TUAOUCFPSA-N 2 0 254.378 -0.654 20 0 CBADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCC[C@H]([NH2+]CCO)C1 ZINC001122176161 813127742 /nfs/dbraw/zinc/12/77/42/813127742.db2.gz VGVBYZJZSOMWJD-OBJOEFQTSA-N 2 0 267.373 -0.441 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CC(F)F ZINC001122400342 813159433 /nfs/dbraw/zinc/15/94/33/813159433.db2.gz AOOZQBNHZUSJNZ-DTWKUNHWSA-N 2 0 265.304 -0.194 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC001122426713 813163822 /nfs/dbraw/zinc/16/38/22/813163822.db2.gz MZGLLKCJYBHLIP-NAKRPEOUSA-N 2 0 255.362 -0.411 20 0 CBADRP C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)[C@@H]1C[N@H+](C)CCN1C ZINC001122450054 813166612 /nfs/dbraw/zinc/16/66/12/813166612.db2.gz ZJENEJCEQIUVGS-UHTWSYAYSA-N 2 0 266.389 -0.216 20 0 CBADRP C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)[C@H]1C[N@H+](C)CCN1C ZINC001122450049 813167426 /nfs/dbraw/zinc/16/74/26/813167426.db2.gz ZJENEJCEQIUVGS-CYZMBNFOSA-N 2 0 266.389 -0.216 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)C1 ZINC001129328233 813837357 /nfs/dbraw/zinc/83/73/57/813837357.db2.gz NKMZSZAVRIFZBF-RYUDHWBXSA-N 2 0 284.404 -0.456 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001129356780 813837399 /nfs/dbraw/zinc/83/73/99/813837399.db2.gz HXHBCMFGMAGSNR-VIFPVBQESA-N 2 0 256.350 -0.950 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001133291756 814237010 /nfs/dbraw/zinc/23/70/10/814237010.db2.gz YSULPLUINLOSGA-CYBMUJFWSA-N 2 0 287.404 -0.161 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NCC(F)(F)F ZINC001133294363 814237814 /nfs/dbraw/zinc/23/78/14/814237814.db2.gz FQUYGPWVQAFEAW-UHFFFAOYSA-N 2 0 298.309 -0.678 20 0 CBADRP CCC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133291269 814237867 /nfs/dbraw/zinc/23/78/67/814237867.db2.gz NODZWHGIHIWGNN-GFCCVEGCSA-N 2 0 286.420 -0.051 20 0 CBADRP CC(C)N(C)C(=O)[C@H](C)[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133290793 814237944 /nfs/dbraw/zinc/23/79/44/814237944.db2.gz CIHSMVUMLZKISF-LBPRGKRZSA-N 2 0 286.420 -0.101 20 0 CBADRP CCCC[C@H]([NH2+]CCNC(=O)CC[NH+](C)C)C(N)=O ZINC001133291514 814238076 /nfs/dbraw/zinc/23/80/76/814238076.db2.gz SSUIVUQBHBHCGE-NSHDSACASA-N 2 0 272.393 -0.312 20 0 CBADRP Cn1cc(C[NH2+]CCNC(=O)CC[NH+](C)C)cn1 ZINC001133294688 814238465 /nfs/dbraw/zinc/23/84/65/814238465.db2.gz PBKKGUFSNDRUGN-UHFFFAOYSA-N 2 0 253.350 -0.422 20 0 CBADRP Cc1cc(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])on1 ZINC001142213682 814704148 /nfs/dbraw/zinc/70/41/48/814704148.db2.gz NXCNMDMVDDOSLC-UHFFFAOYSA-N 2 0 253.306 -0.014 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C1C[NH+](C)C1 ZINC001142605231 814724104 /nfs/dbraw/zinc/72/41/04/814724104.db2.gz QCIWAPSYPBVWDS-UHFFFAOYSA-N 3 0 255.366 -0.388 20 0 CBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)C2C[NH+](C)C2)CC1 ZINC001142600951 814724675 /nfs/dbraw/zinc/72/46/75/814724675.db2.gz RIBTZPBTXSOAJQ-JOCQHMNTSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH+](C)CCCCC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001148360404 814940298 /nfs/dbraw/zinc/94/02/98/814940298.db2.gz STMFMVFLJIGRBQ-UHFFFAOYSA-N 2 0 299.419 -0.551 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)CCCC[NH+](C)C)C(N)=O ZINC001148365204 814941391 /nfs/dbraw/zinc/94/13/91/814941391.db2.gz LBAQVBIWTNGFAA-LLVKDONJSA-N 2 0 272.393 -0.312 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]C[C@@H](O)COC ZINC001148571093 814950886 /nfs/dbraw/zinc/95/08/86/814950886.db2.gz VXBRIRDJEGTFLM-GFCCVEGCSA-N 2 0 275.393 -0.569 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001148578959 814951562 /nfs/dbraw/zinc/95/15/62/814951562.db2.gz XWWQXGWHZUANLL-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](CC)C(N)=O ZINC001148642889 814954324 /nfs/dbraw/zinc/95/43/24/814954324.db2.gz PLLYVPZACKGVNZ-JTQLQIEISA-N 2 0 258.366 -0.702 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H](CC)C(N)=O ZINC001148642890 814954643 /nfs/dbraw/zinc/95/46/43/814954643.db2.gz PLLYVPZACKGVNZ-SNVBAGLBSA-N 2 0 258.366 -0.702 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001148643427 814954679 /nfs/dbraw/zinc/95/46/79/814954679.db2.gz ZZNBZEHQEVNUGM-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001148643186 814954845 /nfs/dbraw/zinc/95/48/45/814954845.db2.gz UDIFWZBBTLITCB-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CCn1nc(C)nc1C ZINC001148638636 814955007 /nfs/dbraw/zinc/95/50/07/814955007.db2.gz KXDROSKEIITHEM-UHFFFAOYSA-N 2 0 296.419 -0.057 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001148655006 814955894 /nfs/dbraw/zinc/95/58/94/814955894.db2.gz FFXNAWQKFMSUOH-CYBMUJFWSA-N 2 0 297.403 -0.708 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001148655625 814956353 /nfs/dbraw/zinc/95/63/53/814956353.db2.gz QCRJHVSAVLLVPP-UHFFFAOYSA-N 2 0 298.387 -0.817 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CC[NH+]([C@@H](C)C(N)=O)C2 ZINC001148838628 814958517 /nfs/dbraw/zinc/95/85/17/814958517.db2.gz CSZIQMOLBTUWEB-LBPRGKRZSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)CC[NH+](C)C ZINC001321967964 803844896 /nfs/dbraw/zinc/84/48/96/803844896.db2.gz CRRMTRLDVNJSSW-JTQLQIEISA-N 2 0 258.366 -0.879 20 0 CBADRP CN(CCC[NH2+]CC(=O)N1CCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001322442859 803896730 /nfs/dbraw/zinc/89/67/30/803896730.db2.gz PFBPDSSJKJKIAV-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@@H]([NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001322678813 803926808 /nfs/dbraw/zinc/92/68/08/803926808.db2.gz UREJHMNCJGDUJO-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001322684842 803927503 /nfs/dbraw/zinc/92/75/03/803927503.db2.gz CPWHOLGESAYNNF-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@@H](C(=O)N(C)CCC[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001322698762 803929045 /nfs/dbraw/zinc/92/90/45/803929045.db2.gz BPTCEWPKHOGODU-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001322830921 803944717 /nfs/dbraw/zinc/94/47/17/803944717.db2.gz FOTLAKFJLSDEID-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001322830924 803945430 /nfs/dbraw/zinc/94/54/30/803945430.db2.gz FOTLAKFJLSDEID-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP C[NH+](CCCC[N@@H+](C)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC001323168365 803983097 /nfs/dbraw/zinc/98/30/97/803983097.db2.gz HHNWFUOFWNNGBP-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001323407159 804023914 /nfs/dbraw/zinc/02/39/14/804023914.db2.gz ULSGHZVMHRRXKN-ZJUUUORDSA-N 2 0 268.361 -0.807 20 0 CBADRP C[C@H](O)C[NH2+]C1(CNC(=O)CCn2ccnc2)CC1 ZINC001323508681 804035665 /nfs/dbraw/zinc/03/56/65/804035665.db2.gz NJPHUWAGHJYCOI-NSHDSACASA-N 2 0 266.345 -0.108 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC001325308936 804275246 /nfs/dbraw/zinc/27/52/46/804275246.db2.gz YRJOBXJSVIZUBH-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC001325308935 804275548 /nfs/dbraw/zinc/27/55/48/804275548.db2.gz YRJOBXJSVIZUBH-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC001325386475 804282674 /nfs/dbraw/zinc/28/26/74/804282674.db2.gz QEVVZLUXULDMJZ-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC001325394368 804283859 /nfs/dbraw/zinc/28/38/59/804283859.db2.gz PQICVQHGYWGOBH-FRRDWIJNSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC001325429076 804286909 /nfs/dbraw/zinc/28/69/09/804286909.db2.gz VUNMTLMIGJDIJI-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP Cn1cc(CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cn1 ZINC001325870132 804329490 /nfs/dbraw/zinc/32/94/90/804329490.db2.gz BYXOWKNYOXDAIN-CQSZACIVSA-N 2 0 281.404 -0.840 20 0 CBADRP C[N@H+](CC(=O)NC[C@@H]1C[NH+](CCO)CCCO1)C1CCC1 ZINC001149854166 815011503 /nfs/dbraw/zinc/01/15/03/815011503.db2.gz GYFVFPYGVPMFFO-CQSZACIVSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCO)CCCO1 ZINC001150547553 815035780 /nfs/dbraw/zinc/03/57/80/815035780.db2.gz VUNVNPTYXVZWFY-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2C[NH+](CCO)CCCO2)C1 ZINC001150598350 815037079 /nfs/dbraw/zinc/03/70/79/815037079.db2.gz ZTHDVMBIZMLJOB-UONOGXRCSA-N 2 0 299.415 -0.472 20 0 CBADRP Cn1cc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001151049187 815051549 /nfs/dbraw/zinc/05/15/49/815051549.db2.gz JLKSJXBIGFMFKW-LBPRGKRZSA-N 2 0 265.361 -0.422 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCCCC2)C1 ZINC001151043592 815051734 /nfs/dbraw/zinc/05/17/34/815051734.db2.gz GOXZMIQGDWNEGX-CYBMUJFWSA-N 2 0 296.415 -0.344 20 0 CBADRP Cn1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)cc1=O ZINC001151049176 815052020 /nfs/dbraw/zinc/05/20/20/815052020.db2.gz JIBBKYLHAWKOSR-CYBMUJFWSA-N 2 0 292.383 -0.457 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001151066154 815056783 /nfs/dbraw/zinc/05/67/83/815056783.db2.gz RBQQVDHDBHKDIP-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158363 805174357 /nfs/dbraw/zinc/17/43/57/805174357.db2.gz HDOFIDWBNWIVBC-UPJWGTAASA-N 2 0 292.387 -0.266 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC001151056993 815055419 /nfs/dbraw/zinc/05/54/19/815055419.db2.gz PHMVPFRGZUKILJ-VHSXEESVSA-N 2 0 297.321 -0.043 20 0 CBADRP CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001151049687 815055760 /nfs/dbraw/zinc/05/57/60/815055760.db2.gz WBYDZZNODGABAN-LLVKDONJSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001151072940 815057521 /nfs/dbraw/zinc/05/75/21/815057521.db2.gz ATSXJPXGJKEMTE-WDEREUQCSA-N 2 0 282.388 -0.689 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151066978 815057890 /nfs/dbraw/zinc/05/78/90/815057890.db2.gz ZQEPMEGNYCHMHR-LBPRGKRZSA-N 2 0 284.404 -0.584 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001151066576 815057931 /nfs/dbraw/zinc/05/79/31/815057931.db2.gz WMYJSNOGIPPRLA-LBPRGKRZSA-N 2 0 282.388 -0.830 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001071256408 805220200 /nfs/dbraw/zinc/22/02/00/805220200.db2.gz WKBGEDNPBWCVEA-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001151073459 815059123 /nfs/dbraw/zinc/05/91/23/815059123.db2.gz LPLDORUUFRXPHB-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151097188 815060904 /nfs/dbraw/zinc/06/09/04/815060904.db2.gz KQGMOALTEYXCJD-UHFFFAOYSA-N 2 0 270.377 -0.687 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCF ZINC001151157924 815064724 /nfs/dbraw/zinc/06/47/24/815064724.db2.gz MYSZSJTYLCGQAZ-LLVKDONJSA-N 2 0 261.341 -0.370 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151157500 815064918 /nfs/dbraw/zinc/06/49/18/815064918.db2.gz MBOWAXITBIALPT-LBPRGKRZSA-N 2 0 273.377 -0.693 20 0 CBADRP CCOCC[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151158097 815065574 /nfs/dbraw/zinc/06/55/74/815065574.db2.gz ODXMBQGBNZPJSW-CYBMUJFWSA-N 2 0 287.404 -0.303 20 0 CBADRP CO[C@H](C)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151157309 815066092 /nfs/dbraw/zinc/06/60/92/815066092.db2.gz KBRWNNWAZGKVOX-QWHCGFSZSA-N 2 0 287.404 -0.305 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073426011 805367024 /nfs/dbraw/zinc/36/70/24/805367024.db2.gz NYJMHLNEOYKBGX-RYUDHWBXSA-N 2 0 294.399 -0.654 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](CCO)C3)C1 ZINC001073425649 805367921 /nfs/dbraw/zinc/36/79/21/805367921.db2.gz CUKQVRIQOYODJD-LBPRGKRZSA-N 2 0 267.373 -0.535 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCO)CCCO2)CC[N@@H+]1C ZINC001073610805 805399496 /nfs/dbraw/zinc/39/94/96/805399496.db2.gz DOISDLHZHLZFEM-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCO)CCCO2)CC1 ZINC001073755934 805412906 /nfs/dbraw/zinc/41/29/06/805412906.db2.gz NYQRBYBEBLXERE-AWEZNQCLSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001074562675 805457029 /nfs/dbraw/zinc/45/70/29/805457029.db2.gz DFAMWDWDTHICCU-DCAQKATOSA-N 2 0 268.361 -0.855 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001074564891 805457126 /nfs/dbraw/zinc/45/71/26/805457126.db2.gz IMIPFGGFGPMAMR-SDDRHHMPSA-N 2 0 255.362 -0.348 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001074564892 805457659 /nfs/dbraw/zinc/45/76/59/805457659.db2.gz IMIPFGGFGPMAMR-SRVKXCTJSA-N 2 0 255.362 -0.348 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001074654917 805464453 /nfs/dbraw/zinc/46/44/53/805464453.db2.gz KMUSMZVMRWKJCW-YUTCNCBUSA-N 2 0 281.400 -0.101 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@@H]2C)CC[N@@H+]1C ZINC001074663153 805464508 /nfs/dbraw/zinc/46/45/08/805464508.db2.gz KYBBNLKGIYRKAY-ZDEQEGDKSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C)C(N)=O ZINC001074792960 805472166 /nfs/dbraw/zinc/47/21/66/805472166.db2.gz OFRUFWHNZMPQON-FIQHERPVSA-N 2 0 282.388 -0.467 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001074811857 805473334 /nfs/dbraw/zinc/47/33/34/805473334.db2.gz JUDYFPHSTHDWGG-SRVKXCTJSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C)C(N)=O ZINC001074852940 805474056 /nfs/dbraw/zinc/47/40/56/805474056.db2.gz DCDSHVDIIITJHQ-GVXVVHGQSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001075106885 805483278 /nfs/dbraw/zinc/48/32/78/805483278.db2.gz OHCOGRWGXSKHGG-AXFHLTTASA-N 2 0 268.361 -0.998 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCO)C[C@H]21 ZINC001075619535 805517225 /nfs/dbraw/zinc/51/72/25/805517225.db2.gz HCWSKJZLNYOOLT-YNEHKIRRSA-N 2 0 267.373 -0.394 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2C[NH+](CCO)C[C@H]21 ZINC001076241486 805562493 /nfs/dbraw/zinc/56/24/93/805562493.db2.gz QHJLMTKXFOKNEZ-MELADBBJSA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001076244555 805563343 /nfs/dbraw/zinc/56/33/43/805563343.db2.gz SRGGUDSKJJHORC-MELADBBJSA-N 2 0 281.400 -0.147 20 0 CBADRP O=C(CCC[NH+]1CCCC1)NCC[NH2+]CC(=O)NC1CC1 ZINC001152223141 815111170 /nfs/dbraw/zinc/11/11/70/815111170.db2.gz GMQMJKBTAKNAIO-UHFFFAOYSA-N 2 0 296.415 -0.153 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152347354 815116540 /nfs/dbraw/zinc/11/65/40/815116540.db2.gz DQDRUVSIECKPGC-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001152433164 815121726 /nfs/dbraw/zinc/12/17/26/815121726.db2.gz VYXRZNZBSAZHHK-GFCCVEGCSA-N 2 0 294.403 -0.189 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001152446416 815123336 /nfs/dbraw/zinc/12/33/36/815123336.db2.gz YEHBPTSVDOWRQY-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@H](C)O ZINC001152458020 815124250 /nfs/dbraw/zinc/12/42/50/815124250.db2.gz KTYIVQPKKDLNTB-NWDGAFQWSA-N 2 0 257.378 -0.053 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)C(N)=O ZINC001152458351 815124411 /nfs/dbraw/zinc/12/44/11/815124411.db2.gz NYTKJMXGZBHREO-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP [NH3+]Cc1cn(-c2ncccc2C(=O)N2CC[NH2+]CC2)cn1 ZINC001154908683 815248464 /nfs/dbraw/zinc/24/84/64/815248464.db2.gz FCKKOSREOLWCQM-UHFFFAOYSA-N 2 0 286.339 -0.229 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1c1ncc2c(n1)C[NH2+]C2 ZINC001154966876 815253639 /nfs/dbraw/zinc/25/36/39/815253639.db2.gz FCAWVHBPTYTZBA-NSHDSACASA-N 2 0 263.345 -0.153 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1c1cc2c(nn1)CC[NH2+]C2 ZINC001154976646 815255456 /nfs/dbraw/zinc/25/54/56/815255456.db2.gz JNXQVTGWSFDNJE-LBPRGKRZSA-N 2 0 277.372 -0.111 20 0 CBADRP F[C@@H]1C[NH2+][C@H](CNc2cncc(N3CC[NH2+]CC3)n2)C1 ZINC001155034192 815257286 /nfs/dbraw/zinc/25/72/86/815257286.db2.gz WGRLPMRMQHJAKJ-QWRGUYRKSA-N 2 0 280.351 -0.002 20 0 CBADRP CCOC(=O)c1c(C[NH3+])ncn1-c1ncc2c(n1)C[NH2+]C2 ZINC001155077409 815261109 /nfs/dbraw/zinc/26/11/09/815261109.db2.gz DAMPUDMWPHUHSV-UHFFFAOYSA-N 2 0 288.311 -0.099 20 0 CBADRP [NH3+][C@H]1COC[C@H]1Nc1ccc(N2CC[NH2+]CC2)nn1 ZINC001155345419 815277880 /nfs/dbraw/zinc/27/78/80/815277880.db2.gz CREDCNOAJMMBLW-VHSXEESVSA-N 2 0 264.333 -0.976 20 0 CBADRP c1ncc(N2CC[NH2+]CC2)nc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001155543149 815291239 /nfs/dbraw/zinc/29/12/39/815291239.db2.gz CGTSEOFMEHNQOB-BXUZGUMPSA-N 2 0 290.371 -0.571 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cc(C3C[NH2+]C3)ncn2)N1 ZINC001155578768 815297615 /nfs/dbraw/zinc/29/76/15/815297615.db2.gz BDDWZMOZDPARPZ-GWCFXTLKSA-N 2 0 274.328 -0.847 20 0 CBADRP Cc1cnc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)nc1C1C[NH2+]C1 ZINC001155581939 815298985 /nfs/dbraw/zinc/29/89/85/815298985.db2.gz WNDXASZOLIRFMZ-IINYFYTJSA-N 2 0 288.355 -0.538 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155790655 815310776 /nfs/dbraw/zinc/31/07/76/815310776.db2.gz LLPALFHWSAMVJE-NWDGAFQWSA-N 2 0 273.377 -0.816 20 0 CBADRP Cn1cnnc1C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155790314 815311006 /nfs/dbraw/zinc/31/10/06/815311006.db2.gz JTBINCZXUSYHMI-NSHDSACASA-N 2 0 280.376 -0.495 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001155789925 815311190 /nfs/dbraw/zinc/31/11/90/815311190.db2.gz HZABVJIJQOQEEJ-GFCCVEGCSA-N 2 0 282.388 -0.545 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155789196 815311779 /nfs/dbraw/zinc/31/17/79/815311779.db2.gz BIBGRSSJIKNMQV-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP Cn1ncnc1C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155790807 815311940 /nfs/dbraw/zinc/31/19/40/815311940.db2.gz NTBVPBCUARNYSO-NSHDSACASA-N 2 0 280.376 -0.495 20 0 CBADRP COCCOCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155790955 815312389 /nfs/dbraw/zinc/31/23/89/815312389.db2.gz PQUPFHBUQOGUQI-ZDUSSCGKSA-N 2 0 287.404 -0.161 20 0 CBADRP CN1CCC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001155791629 815313826 /nfs/dbraw/zinc/31/38/26/815313826.db2.gz YFRYIODFEVTMEO-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001155813666 815314001 /nfs/dbraw/zinc/31/40/01/815314001.db2.gz SXPQOGKVSUUCLN-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001155810517 815315357 /nfs/dbraw/zinc/31/53/57/815315357.db2.gz CIXSTIGIYLEPJI-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP Cc1cnc(N(CC[NH3+])CCO)nc1C1C[NH2+]C1 ZINC001155955862 815325849 /nfs/dbraw/zinc/32/58/49/815325849.db2.gz HHNABTIVRZEGKD-UHFFFAOYSA-N 2 0 251.334 -0.771 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001160629477 815646783 /nfs/dbraw/zinc/64/67/83/815646783.db2.gz SDSZPBOTSICAIL-KGLIPLIRSA-N 3 0 299.463 -0.592 20 0 CBADRP CN(c1nccc(C2CC[NH2+]CC2)n1)S(=O)(=O)CC[NH3+] ZINC001156237852 815349427 /nfs/dbraw/zinc/34/94/27/815349427.db2.gz AKRNMANMOQUZCQ-UHFFFAOYSA-N 2 0 299.400 -0.332 20 0 CBADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001086093231 810241253 /nfs/dbraw/zinc/24/12/53/810241253.db2.gz FGWGCQOYSMELLK-XJFOESAGSA-N 2 0 297.399 -0.674 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)CC1 ZINC001086186719 810247096 /nfs/dbraw/zinc/24/70/96/810247096.db2.gz LYNBUHBNJWTOCV-BJHJDKERSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001086186527 810247536 /nfs/dbraw/zinc/24/75/36/810247536.db2.gz CBUFFAAGCBNWKU-WZRBSPASSA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086271906 810253285 /nfs/dbraw/zinc/25/32/85/810253285.db2.gz OCUYRVLWDUCHTA-WUHRBBMRSA-N 2 0 269.389 -0.197 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001086270417 810253433 /nfs/dbraw/zinc/25/34/33/810253433.db2.gz DKELJUMRICMOOM-WUHRBBMRSA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)CC[N@@H+]1C ZINC001086370166 810265387 /nfs/dbraw/zinc/26/53/87/810265387.db2.gz UKQJWILGGBSRBA-FDYHWXHSSA-N 2 0 269.389 -0.197 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086381628 810265919 /nfs/dbraw/zinc/26/59/19/810265919.db2.gz CCIDLGKOQQTFEC-AVGNSLFASA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001086371069 810266016 /nfs/dbraw/zinc/26/60/16/810266016.db2.gz OKYZAYSNHVPNAZ-ZDEQEGDKSA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001086476800 810274162 /nfs/dbraw/zinc/27/41/62/810274162.db2.gz DUZDDLLIMKLGNY-LPWJVIDDSA-N 2 0 269.389 -0.339 20 0 CBADRP CC[N@H+](CCCO)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156374711 815356684 /nfs/dbraw/zinc/35/66/84/815356684.db2.gz VHHMQEWVIWVOJO-CYBMUJFWSA-N 2 0 289.420 -0.226 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001086551532 810278356 /nfs/dbraw/zinc/27/83/56/810278356.db2.gz DKELJUMRICMOOM-LPWJVIDDSA-N 2 0 296.415 -0.314 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001086550854 810278810 /nfs/dbraw/zinc/27/88/10/810278810.db2.gz YCDKMSRSIHUXDH-CYDGBPFRSA-N 2 0 294.399 -0.689 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086558888 810280766 /nfs/dbraw/zinc/28/07/66/810280766.db2.gz ZDHLEDKXORRMJG-AVGNSLFASA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001088279315 810324999 /nfs/dbraw/zinc/32/49/99/810324999.db2.gz PWLKTJBHFBMGSU-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCO ZINC001088836227 810363780 /nfs/dbraw/zinc/36/37/80/810363780.db2.gz LDPXMGUUADQRJO-YPMHNXCESA-N 2 0 269.389 -0.101 20 0 CBADRP O=C(N[C@H]1CC[N@@H+](CCO)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001090390511 810487546 /nfs/dbraw/zinc/48/75/46/810487546.db2.gz HUDNCEYWCIRGPT-STQMWFEESA-N 2 0 297.399 -0.842 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090536531 810518460 /nfs/dbraw/zinc/51/84/60/810518460.db2.gz FVRPQQCQOFIKMR-KGLIPLIRSA-N 2 0 299.415 -0.474 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090814495 810569281 /nfs/dbraw/zinc/56/92/81/810569281.db2.gz JSNSRUTXHZJLMN-OLZOCXBDSA-N 2 0 285.388 -0.984 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCCF)C[C@H]1O ZINC001090817853 810572855 /nfs/dbraw/zinc/57/28/55/810572855.db2.gz SWWPYCMBKLOCHL-QWHCGFSZSA-N 2 0 287.379 -0.007 20 0 CBADRP C[C@@H]([NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001091327271 810602956 /nfs/dbraw/zinc/60/29/56/810602956.db2.gz DTJIGWXTEKIVHE-VOMCLLRMSA-N 2 0 294.399 -0.560 20 0 CBADRP N=c1cc(C[NH3+])ccn1-c1cc(C2C[NH2+]C2)ncn1 ZINC001156855539 815384776 /nfs/dbraw/zinc/38/47/76/815384776.db2.gz CZOXUDJWOKNGNI-UHFFFAOYSA-N 2 0 256.313 -0.108 20 0 CBADRP CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001093343896 810651418 /nfs/dbraw/zinc/65/14/18/810651418.db2.gz WDKKTFJIMHXFHK-LLVKDONJSA-N 2 0 292.387 -0.277 20 0 CBADRP CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001093308829 810652001 /nfs/dbraw/zinc/65/20/01/810652001.db2.gz MHTOVCYSLFHYJC-CYBMUJFWSA-N 2 0 292.387 -0.135 20 0 CBADRP C[NH2+]CCNc1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001156893538 815388378 /nfs/dbraw/zinc/38/83/78/815388378.db2.gz JQXCZQLGLCXGTN-UHFFFAOYSA-N 2 0 263.345 -0.242 20 0 CBADRP C[NH+]1CCN(c2nccc(-n3ccc(CC[NH3+])n3)n2)CC1 ZINC001156905620 815389622 /nfs/dbraw/zinc/38/96/22/815389622.db2.gz OPVVDEDJSABVRA-UHFFFAOYSA-N 2 0 287.371 -0.085 20 0 CBADRP C[N@@H+]1CCc2nc(Cl)nc(-n3nnc(CC[NH3+])n3)c2C1 ZINC001156989246 815395790 /nfs/dbraw/zinc/39/57/90/815395790.db2.gz GEWCQVGDMNQSAV-UHFFFAOYSA-N 2 0 294.750 -0.405 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)C1 ZINC001096539974 810781091 /nfs/dbraw/zinc/78/10/91/810781091.db2.gz FCBFHHBBDCBSIB-NDBYEHHHSA-N 2 0 267.373 -0.348 20 0 CBADRP COC(=O)[C@@H](CCC[NH3+])Nc1ncnc2c1CC[NH2+]C2 ZINC001157115258 815406536 /nfs/dbraw/zinc/40/65/36/815406536.db2.gz XUTOWQAILAMHIN-SNVBAGLBSA-N 2 0 279.344 -0.185 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)C1 ZINC001098393856 810843767 /nfs/dbraw/zinc/84/37/67/810843767.db2.gz FCBFHHBBDCBSIB-LPWJVIDDSA-N 2 0 267.373 -0.348 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCc1cc2n(n1)CCCO2 ZINC001157082688 815403732 /nfs/dbraw/zinc/40/37/32/815403732.db2.gz NNXQQUBZKSKBNU-NSHDSACASA-N 2 0 281.360 -0.262 20 0 CBADRP CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001157081874 815403741 /nfs/dbraw/zinc/40/37/41/815403741.db2.gz DIMBDQOTWLOLMP-MNOVXSKESA-N 2 0 297.359 -0.934 20 0 CBADRP [NH3+][C@H](C(=O)NCc1cc2n(n1)CCCO2)C1CC[NH2+]CC1 ZINC001157081845 815404441 /nfs/dbraw/zinc/40/44/41/815404441.db2.gz CMJNSXGZYWVOIK-ZDUSSCGKSA-N 2 0 293.371 -0.391 20 0 CBADRP Cc1cc2c(c(NC(=[NH2+])NCCCC[NH3+])n1)C(=O)NC2=O ZINC001157099101 815405423 /nfs/dbraw/zinc/40/54/23/815405423.db2.gz KPGNJTJISPAFAH-UHFFFAOYSA-N 2 0 290.327 -0.051 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099872800 810955870 /nfs/dbraw/zinc/95/58/70/810955870.db2.gz ZPLOPKWIZFCGQV-CHWSQXEVSA-N 2 0 299.415 -0.332 20 0 CBADRP C[N@H+](CC(=O)N[C@H]1CC[NH+](CCO)C[C@H]1O)C1CCC1 ZINC001099879318 810960268 /nfs/dbraw/zinc/96/02/68/810960268.db2.gz IRKWAHARZVCYKA-QWHCGFSZSA-N 2 0 285.388 -0.986 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CCO)C[C@@H]1O ZINC001099898427 810962445 /nfs/dbraw/zinc/96/24/45/810962445.db2.gz BGNJIANNVCMGFU-RYUDHWBXSA-N 2 0 287.404 -0.740 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971860 810981935 /nfs/dbraw/zinc/98/19/35/810981935.db2.gz NLHSUZXFDCNPNT-OLZOCXBDSA-N 2 0 299.415 -0.474 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074644 811014420 /nfs/dbraw/zinc/01/44/20/811014420.db2.gz QOQRRYKSZFLCCF-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCOC)C[C@@H]1O ZINC001100081332 811016213 /nfs/dbraw/zinc/01/62/13/811016213.db2.gz QLGPNZQEPYVRDQ-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC)C[C@@H]1O ZINC001100082434 811017605 /nfs/dbraw/zinc/01/76/05/811017605.db2.gz BQPXPGREPCRVAY-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132581 811028138 /nfs/dbraw/zinc/02/81/38/811028138.db2.gz WDFPIKNSMKBEQF-QWHCGFSZSA-N 2 0 287.404 -0.476 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCOCCO)C1 ZINC001100185546 811034481 /nfs/dbraw/zinc/03/44/81/811034481.db2.gz FEVLEVUIXJCMDB-JXQTWKCFSA-N 2 0 299.415 -0.426 20 0 CBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001100406044 811056620 /nfs/dbraw/zinc/05/66/20/811056620.db2.gz YRDLZHDNPPVSBE-UHFFFAOYSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100618828 811065768 /nfs/dbraw/zinc/06/57/68/811065768.db2.gz ZVXVIHQONZVXDX-UHFFFAOYSA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH+](C)CCCC(=O)NCC1CC([NH2+]CCO)C1 ZINC001100621186 811066599 /nfs/dbraw/zinc/06/65/99/811066599.db2.gz QIGCFYYOLPUTKO-UHFFFAOYSA-N 2 0 257.378 -0.195 20 0 CBADRP C[NH+](C)CCC(=O)NCC1CC([NH2+]CC(=O)N2CCC2)C1 ZINC001100636639 811069045 /nfs/dbraw/zinc/06/90/45/811069045.db2.gz BXKGFYKIPVRNHZ-UHFFFAOYSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001100647437 811070851 /nfs/dbraw/zinc/07/08/51/811070851.db2.gz VEISWJQXXIEXOE-ORHYLEIMSA-N 2 0 298.431 -0.197 20 0 CBADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001100769322 811077480 /nfs/dbraw/zinc/07/74/80/811077480.db2.gz DMFAUNBBCAYPTG-BPCQOVAHSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001100873082 811083517 /nfs/dbraw/zinc/08/35/17/811083517.db2.gz UDSMDZVULGMFHV-PNESKVBLSA-N 2 0 296.415 -0.441 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]CCO)C1 ZINC001100904794 811084606 /nfs/dbraw/zinc/08/46/06/811084606.db2.gz HLPMWNVINWKQLJ-UHFFFAOYSA-N 2 0 257.378 -0.195 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100898619 811084776 /nfs/dbraw/zinc/08/47/76/811084776.db2.gz QVQSWLKXBVDVHI-UHFFFAOYSA-N 2 0 284.404 -0.312 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC1CC([NH2+]CCCO)C1 ZINC001100984988 811088741 /nfs/dbraw/zinc/08/87/41/811088741.db2.gz XFRBYFMHOGURAJ-UHFFFAOYSA-N 2 0 269.389 -0.051 20 0 CBADRP CN(C)C(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001100981020 811088857 /nfs/dbraw/zinc/08/88/57/811088857.db2.gz RCCDOZNCXDJAAF-CPCZMJQVSA-N 2 0 296.415 -0.489 20 0 CBADRP CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001100981067 811089589 /nfs/dbraw/zinc/08/95/89/811089589.db2.gz UDFIRFWAKBPLML-OTTFEQOBSA-N 2 0 296.415 -0.441 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001101039663 811091632 /nfs/dbraw/zinc/09/16/32/811091632.db2.gz XHQMSXQBVTZUEC-BPCQOVAHSA-N 2 0 296.415 -0.301 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001101039333 811091932 /nfs/dbraw/zinc/09/19/32/811091932.db2.gz HIKJPDPIMKQVKL-UHFFFAOYSA-N 2 0 270.377 -0.704 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CCO)C[C@@]2(C)C1 ZINC001101353090 811103547 /nfs/dbraw/zinc/10/35/47/811103547.db2.gz SZGZDIORXZMAPM-OCCSQVGLSA-N 2 0 269.389 -0.289 20 0 CBADRP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001101344985 811104225 /nfs/dbraw/zinc/10/42/25/811104225.db2.gz NSGRAEQUMVPUAC-DOMZBBRYSA-N 2 0 296.415 -0.406 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001157323199 815423015 /nfs/dbraw/zinc/42/30/15/815423015.db2.gz DGCZTXDQSYCOTR-OLZOCXBDSA-N 2 0 296.415 -0.312 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1[NH2+]CCC[C@H]1C ZINC001157323005 815423102 /nfs/dbraw/zinc/42/31/02/815423102.db2.gz IGORNOWJLAQUGZ-WOPDTQHZSA-N 2 0 284.404 -0.266 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)[NH+](C)C ZINC001157323145 815423406 /nfs/dbraw/zinc/42/34/06/815423406.db2.gz BDVJOWBVKMXHCM-UWVGGRQHSA-N 2 0 258.366 -0.704 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C12CC[NH+](CC1)CC2 ZINC001157324524 815424088 /nfs/dbraw/zinc/42/40/88/815424088.db2.gz ZNNOUIJETYINSJ-LBPRGKRZSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102046245 811144857 /nfs/dbraw/zinc/14/48/57/811144857.db2.gz UKECKBADYKJUAG-VXGBXAGGSA-N 2 0 296.415 -0.360 20 0 CBADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1C)[NH+](C)C ZINC001102085953 811145860 /nfs/dbraw/zinc/14/58/60/811145860.db2.gz JXZJMRWKVJESLD-JHJVBQTASA-N 2 0 298.431 -0.243 20 0 CBADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318646 811153694 /nfs/dbraw/zinc/15/36/94/811153694.db2.gz CMPVAKTYJSLTFN-UPJWGTAASA-N 2 0 296.415 -0.489 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1C)[NH+](C)C ZINC001102377021 811153807 /nfs/dbraw/zinc/15/38/07/811153807.db2.gz JXZJMRWKVJESLD-UPJWGTAASA-N 2 0 298.431 -0.243 20 0 CBADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001102475233 811154850 /nfs/dbraw/zinc/15/48/50/811154850.db2.gz FKARJHUKCDWKEU-JHJVBQTASA-N 2 0 298.431 -0.114 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C1CC(C[NH3+])C1 ZINC001157336328 815425394 /nfs/dbraw/zinc/42/53/94/815425394.db2.gz NBROXJLYOQZPLO-ILDUYXDCSA-N 2 0 270.377 -0.669 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@]1(C)CC[NH2+]C1 ZINC001157337890 815425445 /nfs/dbraw/zinc/42/54/45/815425445.db2.gz XWMXYPHDCIFOTN-GXFFZTMASA-N 2 0 270.377 -0.654 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001102601884 811161896 /nfs/dbraw/zinc/16/18/96/811161896.db2.gz UUIBGCCKTUCSQX-VXGBXAGGSA-N 2 0 284.404 -0.504 20 0 CBADRP C[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579172 811162073 /nfs/dbraw/zinc/16/20/73/811162073.db2.gz LJGFNGXBGLQPPU-FRRDWIJNSA-N 2 0 296.415 -0.360 20 0 CBADRP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103396877 811182702 /nfs/dbraw/zinc/18/27/02/811182702.db2.gz NQYCAXUUSKVIMB-CHWSQXEVSA-N 2 0 298.431 -0.242 20 0 CBADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1CC[NH2+]1)C(=O)N1CCCC1 ZINC001157368063 815428477 /nfs/dbraw/zinc/42/84/77/815428477.db2.gz ARPWCWOMBONGIR-RYUDHWBXSA-N 2 0 282.388 -0.416 20 0 CBADRP N=C(NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)n1nnc2ccccc21 ZINC001157420815 815431520 /nfs/dbraw/zinc/43/15/20/815431520.db2.gz AOPPEWLRUFFMMT-SECBINFHSA-N 2 0 299.338 -0.861 20 0 CBADRP Cc1cc(N(C(N)=[NH2+])C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)n[nH]1 ZINC001157440461 815433699 /nfs/dbraw/zinc/43/36/99/815433699.db2.gz YAALRVNGZULAQS-NOZJJQNGSA-N 3 0 291.359 -0.856 20 0 CBADRP F[C@@H]1CC[NH2+]C[C@@H]1Nc1cncc(N2CC[NH2+]CC2)n1 ZINC001157447480 815433937 /nfs/dbraw/zinc/43/39/37/815433937.db2.gz FPOIAOVNVSMNRE-MNOVXSKESA-N 2 0 280.351 -0.002 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(C(=N)N)c1cc(C)[nH]n1 ZINC001157440028 815434400 /nfs/dbraw/zinc/43/44/00/815434400.db2.gz QJBSRECQWISWPX-VIFPVBQESA-N 2 0 281.364 -0.338 20 0 CBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001157448897 815435109 /nfs/dbraw/zinc/43/51/09/815435109.db2.gz OCLYQFZHGZIVPZ-PJXYFTJBSA-N 2 0 295.383 -0.275 20 0 CBADRP CCOC(=O)c1c[nH]nc1CNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157448735 815435656 /nfs/dbraw/zinc/43/56/56/815435656.db2.gz HZPXWZNWQTZOMQ-JTQLQIEISA-N 2 0 297.359 -0.341 20 0 CBADRP CN1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1=O ZINC001157485899 815437817 /nfs/dbraw/zinc/43/78/17/815437817.db2.gz PXZAGXVEWOGYEN-LLVKDONJSA-N 2 0 280.372 -0.839 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCN(C)C(=O)C1 ZINC001157484218 815438082 /nfs/dbraw/zinc/43/80/82/815438082.db2.gz AHNGREPUMXMMFG-LBPRGKRZSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(N)=O)[C@H](C)C1 ZINC001106839377 811317533 /nfs/dbraw/zinc/31/75/33/811317533.db2.gz FAQOFQLNTZZHOE-JHJVBQTASA-N 2 0 298.431 -0.114 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106910774 811318495 /nfs/dbraw/zinc/31/84/95/811318495.db2.gz ODTRGIAACPYKLY-VXGBXAGGSA-N 2 0 284.404 -0.502 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCO ZINC001106981694 811321506 /nfs/dbraw/zinc/32/15/06/811321506.db2.gz ZISAZMNNUGXPLR-JHJVBQTASA-N 2 0 269.389 -0.386 20 0 CBADRP CNC(=O)C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001157495915 815439141 /nfs/dbraw/zinc/43/91/41/815439141.db2.gz OEBHVVJRADVQKC-IUODEOHRSA-N 2 0 294.399 -0.830 20 0 CBADRP CNC(=O)C1CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001157496541 815439635 /nfs/dbraw/zinc/43/96/35/815439635.db2.gz WWXKXGLPMHSEDX-LBPRGKRZSA-N 2 0 284.404 -0.183 20 0 CBADRP COC(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001157508763 815440166 /nfs/dbraw/zinc/44/01/66/815440166.db2.gz ZTBGSSGOEIVOBH-BXUZGUMPSA-N 2 0 296.371 -0.904 20 0 CBADRP NC(=O)C1CC[NH+](CCC(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)CC1 ZINC001157537018 815442869 /nfs/dbraw/zinc/44/28/69/815442869.db2.gz SEKTVGXVYIHWBU-MNOVXSKESA-N 2 0 286.351 -0.919 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@@H]2CC[C@]3(C2)C[NH2+]CCO3)C[C@H]1F ZINC001157537043 815443573 /nfs/dbraw/zinc/44/35/73/815443573.db2.gz TXXUNPPBVNHDQO-DCQANWLSSA-N 2 0 271.336 -0.347 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1F ZINC001157537147 815444169 /nfs/dbraw/zinc/44/41/69/815444169.db2.gz ZHSUGWWMEUSQCU-OUAUKWLOSA-N 2 0 271.336 -0.347 20 0 CBADRP [NH3+][C@H]1CN(C(=O)c2cccnc2O[C@H]2CC[NH2+]C2)C[C@H]1F ZINC001157547667 815444707 /nfs/dbraw/zinc/44/47/07/815444707.db2.gz AAMCBUHGMBRCCM-WCQGTBRESA-N 2 0 294.330 -0.057 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])c1ncc2c(n1)C[NH2+]C2 ZINC001157548606 815444761 /nfs/dbraw/zinc/44/47/61/815444761.db2.gz IWUBPQUDXHDFJE-UHFFFAOYSA-N 2 0 279.344 -0.202 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157545493 815444970 /nfs/dbraw/zinc/44/49/70/815444970.db2.gz UDDAYMYMZLVYKC-VWYCJHECSA-N 2 0 274.340 -0.872 20 0 CBADRP [NH3+][C@H]1CN(C(=O)c2cnc3n2CC[NH2+]CC3)C[C@H]1F ZINC001157559334 815445206 /nfs/dbraw/zinc/44/52/06/815445206.db2.gz BHHMRQJZGLRCGK-BDAKNGLRSA-N 2 0 267.308 -0.850 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCc2cnccc2C1 ZINC001157568633 815446470 /nfs/dbraw/zinc/44/64/70/815446470.db2.gz TZMZMKFCFHYEEW-LBPRGKRZSA-N 2 0 280.397 -0.015 20 0 CBADRP c1cc(N2C[C@@H]3C[NH2+][C@@H]3C2)ncc1N1CC[NH2+]CC1 ZINC001157623129 815448192 /nfs/dbraw/zinc/44/81/92/815448192.db2.gz HKWDKWGPJLZGFX-WCQYABFASA-N 2 0 259.357 -0.101 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)C1 ZINC001157633178 815449171 /nfs/dbraw/zinc/44/91/71/815449171.db2.gz KINUHEYZEPLRCI-NEPJUHHUSA-N 2 0 266.389 -0.380 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@@]23CCCO[C@@H]2CC[NH2+]C3)C1 ZINC001157632731 815449228 /nfs/dbraw/zinc/44/92/28/815449228.db2.gz HUGWKDCRMNKYJU-ZWNOBZJWSA-N 2 0 253.346 -0.295 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@@H]2COC3(C2)CC[NH2+]CC3)C1 ZINC001157634135 815449345 /nfs/dbraw/zinc/44/93/45/815449345.db2.gz VAYUFTLTKIZBKR-JTQLQIEISA-N 2 0 253.346 -0.295 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@@H]2C[NH2+]CC23CCOCC3)C1 ZINC001157634232 815450271 /nfs/dbraw/zinc/45/02/71/815450271.db2.gz ZCNOCKBIWQFRAC-JTQLQIEISA-N 2 0 253.346 -0.438 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001157644412 815450707 /nfs/dbraw/zinc/45/07/07/815450707.db2.gz OIMKIALXPOUUQY-QWRGUYRKSA-N 2 0 280.372 -0.711 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001109673807 811499149 /nfs/dbraw/zinc/49/91/49/811499149.db2.gz RDXPELGULDHYBZ-RDBSUJKOSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCCO1 ZINC001157704267 815454284 /nfs/dbraw/zinc/45/42/84/815454284.db2.gz WJKAAOIFJPZKHM-OUCADQQQSA-N 2 0 267.373 -0.177 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@H]2C[NH2+]CCC2=O)CC1 ZINC001157743956 815461794 /nfs/dbraw/zinc/46/17/94/815461794.db2.gz JFDKNPCAILPLDZ-GXFFZTMASA-N 2 0 271.336 -0.156 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)CCN1 ZINC001157720256 815456632 /nfs/dbraw/zinc/45/66/32/815456632.db2.gz DPDAIGOVZPPLDU-STQMWFEESA-N 2 0 298.431 -0.495 20 0 CBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)c1ccc([C@H](N)C[NH3+])cc1 ZINC001157720230 815456792 /nfs/dbraw/zinc/45/67/92/815456792.db2.gz DBAWKQPSJUEPRR-ZIAGYGMSSA-N 2 0 292.383 -0.295 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)c1ccc([C@@H](N)C[NH3+])cc1 ZINC001157720227 815456811 /nfs/dbraw/zinc/45/68/11/815456811.db2.gz DBAWKQPSJUEPRR-KBPBESRZSA-N 2 0 292.383 -0.295 20 0 CBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001157720598 815457144 /nfs/dbraw/zinc/45/71/44/815457144.db2.gz MITNUVOOOGEWEL-MNOVXSKESA-N 2 0 273.377 -0.424 20 0 CBADRP [NH3+][C@H](C(=O)N1CCC[C@@H](F)C(=O)C1)C1CC[NH2+]CC1 ZINC001157729654 815457224 /nfs/dbraw/zinc/45/72/24/815457224.db2.gz CTSCARQBWVLJTP-PWSUYJOCSA-N 2 0 271.336 -0.157 20 0 CBADRP [NH3+][C@H](C(=O)N1CC(F)(F)CC[C@H]1CO)C1CC[NH2+]CC1 ZINC001157730028 815458134 /nfs/dbraw/zinc/45/81/34/815458134.db2.gz GXSDIOAOENRDAG-QWRGUYRKSA-N 2 0 291.342 -0.068 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@H](F)C[C@@H](CO)C1 ZINC001157731405 815459568 /nfs/dbraw/zinc/45/95/68/815459568.db2.gz UPJZPZVCGYYVCN-MXWKQRLJSA-N 2 0 261.341 -0.378 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)C2=NO[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC001157741276 815460322 /nfs/dbraw/zinc/46/03/22/815460322.db2.gz VPBBULNSMXNEJM-OPQQBVKSSA-N 2 0 284.335 -0.360 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001157739078 815460358 /nfs/dbraw/zinc/46/03/58/815460358.db2.gz FABKTSSMSIBXOA-BPLDGKMQSA-N 3 0 298.406 -0.135 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157739422 815460581 /nfs/dbraw/zinc/46/05/81/815460581.db2.gz HGVJEWORQSXBPV-JQWIXIFHSA-N 3 0 260.357 -0.268 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC001157740646 815460602 /nfs/dbraw/zinc/46/06/02/815460602.db2.gz PQLBVFACJHTRQR-GFQSEFKGSA-N 2 0 285.363 -0.100 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@](O)(CF)CC1 ZINC001157782271 815465876 /nfs/dbraw/zinc/46/58/76/815465876.db2.gz XZYKFPLANCKVED-BXUZGUMPSA-N 2 0 285.363 -0.492 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC[C@](O)(CF)CC1 ZINC001157780413 815466054 /nfs/dbraw/zinc/46/60/54/815466054.db2.gz FICHUDMXYQLTAV-CMPLNLGQSA-N 2 0 261.341 -0.234 20 0 CBADRP C[C@@H]1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC001157799378 815468267 /nfs/dbraw/zinc/46/82/67/815468267.db2.gz LMDRMMDRNUUZFZ-NTZNESFSSA-N 2 0 255.362 -0.313 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]2COC[C@H]2[NH3+])CC1 ZINC001157753027 815461917 /nfs/dbraw/zinc/46/19/17/815461917.db2.gz CAIOVDBSHYBNLL-UMNHJUIQSA-N 2 0 259.325 -0.360 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157755887 815462452 /nfs/dbraw/zinc/46/24/52/815462452.db2.gz UFRPEODYPZLVDG-JSGCOSHPSA-N 2 0 286.395 -0.088 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]2C[NH2+]CCN2)CC1 ZINC001157754176 815462775 /nfs/dbraw/zinc/46/27/75/815462775.db2.gz HZKZQIXYSMHRSE-JQWIXIFHSA-N 2 0 258.341 -0.773 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1[NH3+] ZINC001157798529 815468598 /nfs/dbraw/zinc/46/85/98/815468598.db2.gz DGJJURYBOQIJHW-VWYCJHECSA-N 2 0 253.346 -0.297 20 0 CBADRP C[C@@H]1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@@H]1[NH3+] ZINC001157821642 815469344 /nfs/dbraw/zinc/46/93/44/815469344.db2.gz UFMQUPRLZNKJBE-SCZZXKLOSA-N 2 0 263.345 -0.135 20 0 CBADRP [NH3+]C[C@@]1(F)CCN(c2ncc3c(n2)CC[NH2+]C3)C1 ZINC001157813294 815469719 /nfs/dbraw/zinc/46/97/19/815469719.db2.gz PWMGKCVZLSBJEE-LBPRGKRZSA-N 2 0 251.309 -0.001 20 0 CBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001157841106 815470417 /nfs/dbraw/zinc/47/04/17/815470417.db2.gz DZPSGWFAWCHUMX-MDZLAQPJSA-N 2 0 279.388 -0.124 20 0 CBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001157843796 815470570 /nfs/dbraw/zinc/47/05/70/815470570.db2.gz SWSJSBGTVCSZQC-HTVKDHMFSA-N 2 0 275.418 -0.332 20 0 CBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157843255 815470692 /nfs/dbraw/zinc/47/06/92/815470692.db2.gz PUOHJXIWIHWWCT-RGCMKSIDSA-N 3 0 280.416 -0.229 20 0 CBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)C1(N)CC[NH2+]CC1 ZINC001157843061 815471039 /nfs/dbraw/zinc/47/10/39/815471039.db2.gz OTCXNMZAUKEZBH-GHMZBOCLSA-N 2 0 254.378 -0.347 20 0 CBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)C1(N)CC[NH2+]CC1 ZINC001157843062 815471148 /nfs/dbraw/zinc/47/11/48/815471148.db2.gz OTCXNMZAUKEZBH-MNOVXSKESA-N 2 0 254.378 -0.347 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114414238 811748264 /nfs/dbraw/zinc/74/82/64/811748264.db2.gz PAEINMWDNMKJSM-PBOSXPJTSA-N 2 0 281.400 -0.102 20 0 CBADRP C[C@H]1C[C@@H](CO)N(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001157853365 815472210 /nfs/dbraw/zinc/47/22/10/815472210.db2.gz AEQYEASVHWSGIL-ZMLRMANQSA-N 2 0 255.362 -0.457 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COC)C[C@H]21)[NH+](C)C ZINC001114463564 811750719 /nfs/dbraw/zinc/75/07/19/811750719.db2.gz JUVFAJCFWBFBLH-RGDJUOJXSA-N 2 0 299.415 -0.620 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001157886994 815476561 /nfs/dbraw/zinc/47/65/61/815476561.db2.gz OKXNVBQLGVQBBO-CHWSQXEVSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@]1(O)CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C[C@@H]1F ZINC001157900827 815478712 /nfs/dbraw/zinc/47/87/12/815478712.db2.gz SHUYRONEQUMDIK-ZMJPVWNMSA-N 2 0 285.363 -0.493 20 0 CBADRP C[C@@]1(O)CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C[C@@H]1F ZINC001157900893 815479253 /nfs/dbraw/zinc/47/92/53/815479253.db2.gz UTTLBHWNDFYFTG-JBLDHEPKSA-N 2 0 271.336 -0.883 20 0 CBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157904084 815480074 /nfs/dbraw/zinc/48/00/74/815480074.db2.gz IXPWLJUEBZMVJQ-AGIUHOORSA-N 2 0 297.399 -0.938 20 0 CBADRP CN1CCN(C(=[NH2+])Nc2ncnc3c2CC[NH2+]CC3)CC1 ZINC001157911149 815482047 /nfs/dbraw/zinc/48/20/47/815482047.db2.gz YWOIIAOPVIHFFY-UHFFFAOYSA-N 2 0 289.387 -0.241 20 0 CBADRP C[C@@]1(CO)CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]1O ZINC001157946482 815491074 /nfs/dbraw/zinc/49/10/74/815491074.db2.gz NNLYVDNRVBIWAI-GVXVVHGQSA-N 2 0 273.377 -0.966 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001157969991 815493155 /nfs/dbraw/zinc/49/31/55/815493155.db2.gz OROMPQQGNXCZRI-MRVPVSSYSA-N 2 0 296.293 -0.714 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001157969992 815493184 /nfs/dbraw/zinc/49/31/84/815493184.db2.gz OROMPQQGNXCZRI-QMMMGPOBSA-N 2 0 296.293 -0.714 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157961164 815493292 /nfs/dbraw/zinc/49/32/92/815493292.db2.gz XWCBITPACAJWAU-STQMWFEESA-N 2 0 263.341 -0.131 20 0 CBADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157966982 815493332 /nfs/dbraw/zinc/49/33/32/815493332.db2.gz AVNGBFHIPNFSKR-HZSPNIEDSA-N 2 0 275.352 -0.260 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@](F)(CO)CC1 ZINC001157935905 815488446 /nfs/dbraw/zinc/48/84/46/815488446.db2.gz XHOUUVRMKMWRBT-SMDDNHRTSA-N 2 0 285.363 -0.492 20 0 CBADRP COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001158014469 815498370 /nfs/dbraw/zinc/49/83/70/815498370.db2.gz LXAORGKAGAZJHN-CIUDSAMLSA-N 2 0 293.364 -0.882 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070628 815500604 /nfs/dbraw/zinc/50/06/04/815500604.db2.gz LIMBTBDIMKECKX-NSHDSACASA-N 3 0 270.377 -0.966 20 0 CBADRP [NH3+]Cc1nnnn1-c1nccc(C2CC[NH2+]CC2)n1 ZINC001158076816 815501931 /nfs/dbraw/zinc/50/19/31/815501931.db2.gz JSRZLGATAOLPHX-UHFFFAOYSA-N 2 0 260.305 -0.622 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076917 815502070 /nfs/dbraw/zinc/50/20/70/815502070.db2.gz QFBWFPQNXHIBGB-GFCCVEGCSA-N 2 0 283.372 -0.654 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158082239 815503311 /nfs/dbraw/zinc/50/33/11/815503311.db2.gz MJKUNDQAFMPMCF-JEOXALJRSA-N 2 0 287.429 -0.188 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091742 815504213 /nfs/dbraw/zinc/50/42/13/815504213.db2.gz HVANCOZGPCIVDO-COPLHBTASA-N 2 0 280.372 -0.935 20 0 CBADRP [NH3+]CCc1cnn(-c2ccc(N3CC[NH2+]CC3)nn2)c1 ZINC001158098467 815504424 /nfs/dbraw/zinc/50/44/24/815504424.db2.gz KXNZLFPJJQJLQG-UHFFFAOYSA-N 2 0 273.344 -0.427 20 0 CBADRP [NH3+]Cc1ccccc1C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158111732 815504923 /nfs/dbraw/zinc/50/49/23/815504923.db2.gz QZVRLUUVHKPXPH-HNNXBMFYSA-N 2 0 288.351 -0.551 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)CC1 ZINC001114740792 812155105 /nfs/dbraw/zinc/15/51/05/812155105.db2.gz BBGXZIMLBHAXHY-ITGUQSILSA-N 2 0 281.400 -0.243 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114745736 812156475 /nfs/dbraw/zinc/15/64/75/812156475.db2.gz FMADRJRNPZKHGQ-WUHRBBMRSA-N 2 0 281.400 -0.245 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001114750213 812157061 /nfs/dbraw/zinc/15/70/61/812157061.db2.gz CXBUHKYGYJPNPV-PJXYFTJBSA-N 2 0 255.362 -0.633 20 0 CBADRP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114771697 812159565 /nfs/dbraw/zinc/15/95/65/812159565.db2.gz IORUCPKERWQILH-PJXYFTJBSA-N 2 0 255.362 -0.369 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114779160 812160075 /nfs/dbraw/zinc/16/00/75/812160075.db2.gz YCNUWMQPMWIYEV-DCQANWLSSA-N 2 0 255.362 -0.635 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161854 815506993 /nfs/dbraw/zinc/50/69/93/815506993.db2.gz RKNJYBZABKNJKI-XAEJFWIOSA-N 2 0 287.429 -0.173 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161272 815507181 /nfs/dbraw/zinc/50/71/81/815507181.db2.gz OSAMXQQICDUIHO-GMXVVIOVSA-N 2 0 253.346 -0.546 20 0 CBADRP O=C([C@@H]1C[NH2+]CCN1)N1CCC[C@]12CCC[NH2+]C2 ZINC001158162329 815507598 /nfs/dbraw/zinc/50/75/98/815507598.db2.gz XLIVVSMPKDRIQJ-AAEUAGOBSA-N 2 0 252.362 -0.708 20 0 CBADRP CN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158197051 815511898 /nfs/dbraw/zinc/51/18/98/815511898.db2.gz RMELIICCXHOGKG-CYBMUJFWSA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158197540 815512045 /nfs/dbraw/zinc/51/20/45/815512045.db2.gz ZNXVKDMEWFUKEU-DGCLKSJQSA-N 2 0 269.389 -0.195 20 0 CBADRP C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001115144125 812180645 /nfs/dbraw/zinc/18/06/45/812180645.db2.gz QPOHBLGBLSQGGY-IMRBUKKESA-N 2 0 269.389 -0.243 20 0 CBADRP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125919 812180744 /nfs/dbraw/zinc/18/07/44/812180744.db2.gz DSEMEYNADHOYQB-PJXYFTJBSA-N 2 0 255.362 -0.369 20 0 CBADRP O=C(C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199429 815512317 /nfs/dbraw/zinc/51/23/17/815512317.db2.gz YXMGZBYSOZGBDQ-OBPIAQAESA-N 2 0 265.357 -0.284 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](O)COC)C[C@H]21 ZINC001115160044 812182601 /nfs/dbraw/zinc/18/26/01/812182601.db2.gz NYZBVGGNPULLQF-RMRHIDDWSA-N 2 0 299.415 -0.618 20 0 CBADRP C[NH+]1CCN(CCC(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001158198498 815512832 /nfs/dbraw/zinc/51/28/32/815512832.db2.gz FUPLHKDCBNUQNL-QWHCGFSZSA-N 2 0 266.389 -0.413 20 0 CBADRP [NH3+][C@@H](CO)Cc1cncn1-c1cc(C2C[NH2+]C2)ncn1 ZINC001158209160 815513711 /nfs/dbraw/zinc/51/37/11/815513711.db2.gz ITFNVHWAIONAHP-SNVBAGLBSA-N 2 0 274.328 -0.789 20 0 CBADRP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167911 815508506 /nfs/dbraw/zinc/50/85/06/815508506.db2.gz OQRXFGBKRHHZKT-FDYHWXHSSA-N 2 0 299.415 -0.036 20 0 CBADRP O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170167 815509308 /nfs/dbraw/zinc/50/93/08/815509308.db2.gz WOJDHKWFNLDHAD-GFCCVEGCSA-N 2 0 294.399 -0.939 20 0 CBADRP [NH3+][C@H](C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)C1CCC(O)CC1 ZINC001158178697 815509531 /nfs/dbraw/zinc/50/95/31/815509531.db2.gz ARFMUZYCPNYXRA-ZFKITPQFSA-N 2 0 297.399 -0.688 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158187220 815510262 /nfs/dbraw/zinc/51/02/62/815510262.db2.gz OQDYGVLJKAQFSG-JNOYHGBFSA-N 2 0 264.373 -0.865 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158185725 815510798 /nfs/dbraw/zinc/51/07/98/815510798.db2.gz BTQQPSHXAGTVGW-CVZZAPKMSA-N 2 0 282.388 -0.574 20 0 CBADRP O=C([C@@H]1C[NH2+]Cc2ccnn2C1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158192885 815511727 /nfs/dbraw/zinc/51/17/27/815511727.db2.gz HVIWDJVZNVZUOQ-KGYLQXTDSA-N 2 0 275.356 -0.435 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](Nc2ncc3c(n2)CC[NH2+]C3)CN1 ZINC001158254851 815516152 /nfs/dbraw/zinc/51/61/52/815516152.db2.gz VCTNETFJQKVLSK-KOLCDFICSA-N 2 0 277.328 -0.562 20 0 CBADRP [NH3+][C@@H](C(=O)N1CC2(C1)CCCO2)C1CC[NH2+]CC1 ZINC001158239699 815516471 /nfs/dbraw/zinc/51/64/71/815516471.db2.gz GYSODKBWEQFFDW-LLVKDONJSA-N 2 0 253.346 -0.295 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305271 815518475 /nfs/dbraw/zinc/51/84/75/815518475.db2.gz DXRFBEWVWCAVAF-VHSXEESVSA-N 2 0 253.350 -0.540 20 0 CBADRP C[C@H](O)C[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158287795 815518547 /nfs/dbraw/zinc/51/85/47/815518547.db2.gz KDGGUHBPOGYASJ-LBPRGKRZSA-N 2 0 297.403 -0.465 20 0 CBADRP [NH3+][C@@H](C(=O)N1C[C@@H]2OCC(F)(F)[C@@H]2C1)C1CC[NH2+]CC1 ZINC001158319603 815519102 /nfs/dbraw/zinc/51/91/02/815519102.db2.gz JQFAFAKUCSNQRH-OUAUKWLOSA-N 2 0 289.326 -0.194 20 0 CBADRP O=C([C@H]1CCCN([C@H]2CC[NH2+]C2)C1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306630 815519379 /nfs/dbraw/zinc/51/93/79/815519379.db2.gz VFYAPSHBYIDFSU-ZQDZILKHSA-N 2 0 292.427 -0.119 20 0 CBADRP CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)N2C[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC001158305961 815519726 /nfs/dbraw/zinc/51/97/26/815519726.db2.gz MZCDTXSVIWMUCF-YNEHKIRRSA-N 2 0 280.416 -0.121 20 0 CBADRP C[C@H]1C[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001117084376 812363138 /nfs/dbraw/zinc/36/31/38/812363138.db2.gz MMLBUXACTKYUJU-QWHCGFSZSA-N 2 0 298.431 -0.290 20 0 CBADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158336010 815520628 /nfs/dbraw/zinc/52/06/28/815520628.db2.gz GDHLZBVRUOUROM-LXTVHRRPSA-N 2 0 287.363 -0.336 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001158380297 815522638 /nfs/dbraw/zinc/52/26/38/815522638.db2.gz PCNBJCWBAPUSGY-IJLUTSLNSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCC2)CC[N@@H+]1C ZINC001158420479 815526836 /nfs/dbraw/zinc/52/68/36/815526836.db2.gz FVEKIQWIPLYZJS-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001158403496 815527009 /nfs/dbraw/zinc/52/70/09/815527009.db2.gz IYILZGREXDBHFD-YNEHKIRRSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC[NH2+]1 ZINC001117972419 812460329 /nfs/dbraw/zinc/46/03/29/812460329.db2.gz TXJNSDFGSUZXPJ-AGIUHOORSA-N 2 0 296.415 -0.204 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158423042 815528381 /nfs/dbraw/zinc/52/83/81/815528381.db2.gz MENTZHNBDXDTBS-ZJUUUORDSA-N 2 0 253.350 -0.397 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2ncnn2C)CC[N@@H+]1C ZINC001158420983 815528452 /nfs/dbraw/zinc/52/84/52/815528452.db2.gz OOHGIDDPUQVVSZ-VXGBXAGGSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC001118140656 812478257 /nfs/dbraw/zinc/47/82/57/812478257.db2.gz GZGPUZCMCPHUFC-IUCAKERBSA-N 2 0 251.334 -0.094 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C2CC(F)(F)C2)CC1 ZINC001118155740 812480972 /nfs/dbraw/zinc/48/09/72/812480972.db2.gz NBJXDWDPPINKHG-NSHDSACASA-N 2 0 263.332 -0.018 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC001118157418 812481942 /nfs/dbraw/zinc/48/19/42/812481942.db2.gz PVJJHADRDGRCAZ-IUCAKERBSA-N 2 0 255.318 -0.865 20 0 CBADRP CC[C@]1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[NH2+]C1 ZINC001118161651 812482351 /nfs/dbraw/zinc/48/23/51/812482351.db2.gz CPVCOQSVVFVCQK-AAEUAGOBSA-N 2 0 255.362 -0.129 20 0 CBADRP CCOC(=O)[C@H]1C[NH2+]CCN1CC1CC[NH2+]CC1 ZINC001118179188 812485864 /nfs/dbraw/zinc/48/58/64/812485864.db2.gz NAIRSYISCMZQCQ-GFCCVEGCSA-N 2 0 255.362 -0.177 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC001118190697 812488855 /nfs/dbraw/zinc/48/88/55/812488855.db2.gz XEJJKKPOONVCRT-CQSZACIVSA-N 2 0 298.431 -0.491 20 0 CBADRP C[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158428812 815529329 /nfs/dbraw/zinc/52/93/29/815529329.db2.gz UICVTPSGENFUJS-QJPTWQEYSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@@]1(C2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)NC(=O)NC1=O ZINC001118198424 812490636 /nfs/dbraw/zinc/49/06/36/812490636.db2.gz MWJDJEUYSIVLOH-HZMBPMFUSA-N 2 0 280.372 -0.094 20 0 CBADRP C[NH2+]CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001118197478 812491490 /nfs/dbraw/zinc/49/14/90/812491490.db2.gz LWWSGWHWZGLYCS-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP O=C(NCC[NH2+]C1CC1)c1cn(C2CC[NH2+]CC2)nn1 ZINC001118203236 812495623 /nfs/dbraw/zinc/49/56/23/812495623.db2.gz OKHQZOTWHIRIGX-UHFFFAOYSA-N 2 0 278.360 -0.316 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC001118225728 812500927 /nfs/dbraw/zinc/50/09/27/812500927.db2.gz AAKVNRDMIATQCM-GHMZBOCLSA-N 2 0 255.362 -0.001 20 0 CBADRP CC[C@@H]1CN(CC(=O)N2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC001118264232 812512053 /nfs/dbraw/zinc/51/20/53/812512053.db2.gz ZCCSJNMVHUGWAC-NEPJUHHUSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC001118271229 812515595 /nfs/dbraw/zinc/51/55/95/812515595.db2.gz XJRLXOXVSWUIGN-UWVGGRQHSA-N 2 0 268.365 -0.127 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC001118278121 812517304 /nfs/dbraw/zinc/51/73/04/812517304.db2.gz SRUIIFDHMVWGAD-JQWIXIFHSA-N 2 0 256.394 -0.149 20 0 CBADRP NC(=O)[C@H](CO)Nc1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001158445393 815533579 /nfs/dbraw/zinc/53/35/79/815533579.db2.gz XAYJTSIARGGOHO-JTQLQIEISA-N 2 0 279.344 -0.733 20 0 CBADRP N[C@@]1(C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)CCC[NH2+]C1 ZINC001158547448 815538569 /nfs/dbraw/zinc/53/85/69/815538569.db2.gz PFASLJKORFLCND-MYZSUADSSA-N 2 0 294.399 -0.953 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001118337463 812534921 /nfs/dbraw/zinc/53/49/21/812534921.db2.gz NWSBPVXZBBIVQB-GRYCIOLGSA-N 2 0 254.378 -0.524 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](C)C[NH3+] ZINC001158499153 815536071 /nfs/dbraw/zinc/53/60/71/815536071.db2.gz XJBPKZHJBSNVHC-XWLWVQCSSA-N 2 0 269.345 -0.667 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@@H](C)[NH3+])CC1 ZINC001118482600 812553579 /nfs/dbraw/zinc/55/35/79/812553579.db2.gz PELKZNSUTBXFQV-LLVKDONJSA-N 2 0 299.419 -0.377 20 0 CBADRP CN(CCC[NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001118482112 812553739 /nfs/dbraw/zinc/55/37/39/812553739.db2.gz IVEHTDCPBIVBDN-NSHDSACASA-N 2 0 257.382 -0.778 20 0 CBADRP O=C(NCCC[NH2+]CCCO)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158505340 815536244 /nfs/dbraw/zinc/53/62/44/815536244.db2.gz BEOIBDWLONIOHF-CHWSQXEVSA-N 2 0 285.388 -0.672 20 0 CBADRP C[C@H]1CCN(C(=O)c2cn(CC[NH3+])nn2)C[C@H]1C[NH3+] ZINC001118505275 812561260 /nfs/dbraw/zinc/56/12/60/812561260.db2.gz BVNTZLPFGFRUOO-VHSXEESVSA-N 2 0 266.349 -0.706 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001118505933 812562143 /nfs/dbraw/zinc/56/21/43/812562143.db2.gz IYQXUNPWEIOKIL-NWDGAFQWSA-N 2 0 255.362 -0.192 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001118505772 812562394 /nfs/dbraw/zinc/56/23/94/812562394.db2.gz IBXOEYTXEOEFGA-NXEZZACHSA-N 2 0 266.349 -0.330 20 0 CBADRP C[C@H]([NH3+])CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001118505773 812562773 /nfs/dbraw/zinc/56/27/73/812562773.db2.gz IBXOEYTXEOEFGA-UWVGGRQHSA-N 2 0 266.349 -0.330 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158566262 815538507 /nfs/dbraw/zinc/53/85/07/815538507.db2.gz AKZJVPUZHXUIOT-VWYCJHECSA-N 2 0 287.335 -0.588 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC001118507370 812563939 /nfs/dbraw/zinc/56/39/39/812563939.db2.gz XQMJZQGXICRVAD-KXNHARMFSA-N 2 0 255.362 -0.193 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158534879 815537086 /nfs/dbraw/zinc/53/70/86/815537086.db2.gz VBRSBXVPGDJIDI-NRWUCQMLSA-N 3 0 282.388 -0.968 20 0 CBADRP NC1(C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)CC[NH2+]CC1 ZINC001158533586 815537282 /nfs/dbraw/zinc/53/72/82/815537282.db2.gz ODSDIYPYRNPVQO-YWPYICTPSA-N 2 0 294.399 -0.953 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533445 815537305 /nfs/dbraw/zinc/53/73/05/815537305.db2.gz LUJBWWGDIJTXPK-GUIRCDHDSA-N 3 0 296.415 -0.578 20 0 CBADRP NC1(C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)CC[NH2+]CC1 ZINC001158533585 815537450 /nfs/dbraw/zinc/53/74/50/815537450.db2.gz ODSDIYPYRNPVQO-LALPHHSUSA-N 2 0 294.399 -0.953 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[C@@H](C)[NH2+]C)C1 ZINC001118550370 812573705 /nfs/dbraw/zinc/57/37/05/812573705.db2.gz DZLSGSUCSMMRPE-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP NC(=O)C1([NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)CCOCC1 ZINC001118568580 812577285 /nfs/dbraw/zinc/57/72/85/812577285.db2.gz DOLAELFWFAACBL-SNVBAGLBSA-N 2 0 269.345 -0.869 20 0 CBADRP [NH3+]CCCOC1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC001118568704 812577890 /nfs/dbraw/zinc/57/78/90/812577890.db2.gz FRWVCOSLGNHPHL-OLZOCXBDSA-N 2 0 285.388 -0.293 20 0 CBADRP NC(=O)C1([NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)CCOCC1 ZINC001118568578 812578074 /nfs/dbraw/zinc/57/80/74/812578074.db2.gz DOLAELFWFAACBL-JTQLQIEISA-N 2 0 269.345 -0.869 20 0 CBADRP [NH3+]CCCOC1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC001118568707 812578281 /nfs/dbraw/zinc/57/82/81/812578281.db2.gz FRWVCOSLGNHPHL-STQMWFEESA-N 2 0 285.388 -0.293 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(C)(C)[NH3+])CC1 ZINC001118571274 812580456 /nfs/dbraw/zinc/58/04/56/812580456.db2.gz BHDIMKQWSUHLDS-UHFFFAOYSA-N 2 0 284.404 -0.170 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001118571608 812580665 /nfs/dbraw/zinc/58/06/65/812580665.db2.gz GIPKBMKGVWTLEL-JTQLQIEISA-N 2 0 265.317 -0.745 20 0 CBADRP N[C@]1(C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)CCC[NH2+]C1 ZINC001158547447 815538175 /nfs/dbraw/zinc/53/81/75/815538175.db2.gz PFASLJKORFLCND-CTHBEMJXSA-N 2 0 294.399 -0.953 20 0 CBADRP [NH3+]C1([C@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@H]2CF)CC1 ZINC001158569001 815538673 /nfs/dbraw/zinc/53/86/73/815538673.db2.gz UWQYSXVRTYPXQU-NEPJUHHUSA-N 2 0 284.379 -0.573 20 0 CBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@H]2CF)CC1 ZINC001158577022 815539069 /nfs/dbraw/zinc/53/90/69/815539069.db2.gz FYVGKRDVBSOLBP-ZNSHCXBVSA-N 2 0 271.336 -0.755 20 0 CBADRP [NH3+]CCNCC(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158579733 815539103 /nfs/dbraw/zinc/53/91/03/815539103.db2.gz XGXFIRIZYTWFQI-NXEZZACHSA-N 2 0 258.341 -0.930 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)C1 ZINC001158576610 815539128 /nfs/dbraw/zinc/53/91/28/815539128.db2.gz CCPJKOXRIMNRTF-VLEAKVRGSA-N 2 0 270.352 -0.789 20 0 CBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3[NH2+]CC[C@H]3O)C[C@@H]2CF)CC1 ZINC001158577021 815539201 /nfs/dbraw/zinc/53/92/01/815539201.db2.gz FYVGKRDVBSOLBP-ZDCRXTMVSA-N 2 0 271.336 -0.755 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)C1 ZINC001158576606 815539480 /nfs/dbraw/zinc/53/94/80/815539480.db2.gz CCPJKOXRIMNRTF-DBIOUOCHSA-N 2 0 270.352 -0.789 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158577812 815539544 /nfs/dbraw/zinc/53/95/44/815539544.db2.gz JFYIZWOOHWLUAL-WDEREUQCSA-N 3 0 272.368 -0.540 20 0 CBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C[C@H]2CF)CC1 ZINC001158579520 815539758 /nfs/dbraw/zinc/53/97/58/815539758.db2.gz UJXXLDTYINPWRN-ZIQFBCGOSA-N 2 0 267.348 -0.013 20 0 CBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1cc(C[NH3+])ncn1)CC2 ZINC001158640210 815542330 /nfs/dbraw/zinc/54/23/30/815542330.db2.gz XRVGBKJGICXSBJ-BXUZGUMPSA-N 2 0 291.355 -0.333 20 0 CBADRP [NH3+][C@H](C(=O)N1CCCC(=O)CC1)C1CC[NH2+]CC1 ZINC001158671274 815542427 /nfs/dbraw/zinc/54/24/27/815542427.db2.gz HSFNWMHOKYGPER-LBPRGKRZSA-N 2 0 253.346 -0.105 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567168 815538601 /nfs/dbraw/zinc/53/86/01/815538601.db2.gz FKTJUIFUYOTHIC-WCQGTBRESA-N 2 0 295.362 -0.185 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001118921325 812663357 /nfs/dbraw/zinc/66/33/57/812663357.db2.gz PXWIDHLJUIMEOM-QWRGUYRKSA-N 2 0 258.366 -0.792 20 0 CBADRP [NH3+][C@@H]1CN(c2ncc3c(n2)CC[NH2+]C3)CC12COC2 ZINC001158762736 815545518 /nfs/dbraw/zinc/54/55/18/815545518.db2.gz APOZOXBOZDLDRF-LLVKDONJSA-N 2 0 261.329 -0.714 20 0 CBADRP C[C@@H]([NH3+])CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001118996603 812686451 /nfs/dbraw/zinc/68/64/51/812686451.db2.gz RDYBMJKOMRJULZ-DBIOUOCHSA-N 2 0 254.334 -0.800 20 0 CBADRP [NH3+][C@@H]1CN(c2ccc3c(n2)CC[NH2+]C3)CC12COC2 ZINC001158765136 815546199 /nfs/dbraw/zinc/54/61/99/815546199.db2.gz TYFCYGRIIQOHEG-GFCCVEGCSA-N 2 0 260.341 -0.109 20 0 CBADRP [NH3+][C@H]1CN(c2ccc(N3CC[NH2+]CC3)nn2)CC12COC2 ZINC001158765423 815546454 /nfs/dbraw/zinc/54/64/54/815546454.db2.gz ZCLQZHNBYCZWFU-NSHDSACASA-N 2 0 290.371 -0.950 20 0 CBADRP C[C@@H]1C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001119200899 812723765 /nfs/dbraw/zinc/72/37/65/812723765.db2.gz YBBRYSRGXJBWCD-VXGBXAGGSA-N 2 0 284.404 -0.537 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCCN(CC(N)=O)C1 ZINC001119236779 812727628 /nfs/dbraw/zinc/72/76/28/812727628.db2.gz CQDVQQYAJSWFFB-CPCNUCRYSA-N 2 0 294.399 -0.536 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)C1 ZINC001119236106 812728124 /nfs/dbraw/zinc/72/81/24/812728124.db2.gz WLWJLCDZGHTRPB-DMDPSCGWSA-N 2 0 255.362 -0.179 20 0 CBADRP C[NH+](C)CCCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001119237699 812728963 /nfs/dbraw/zinc/72/89/63/812728963.db2.gz YFEPDKNSRDOKKT-SFHVURJKSA-N 2 0 275.418 -0.445 20 0 CBADRP C[C@H](Cn1cncn1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC001119237938 812729022 /nfs/dbraw/zinc/72/90/22/812729022.db2.gz RJDTWDILGMNBGT-CYBMUJFWSA-N 2 0 266.393 -0.106 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1CC[NH2+]CC1 ZINC001119242767 812730563 /nfs/dbraw/zinc/73/05/63/812730563.db2.gz HFLLNLNAMVAQJK-LBPRGKRZSA-N 2 0 282.388 -0.558 20 0 CBADRP CCN(CC[NH3+])C(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001119243193 812730785 /nfs/dbraw/zinc/73/07/85/812730785.db2.gz NFOBHMJRYPCDRW-QGZVFWFLSA-N 2 0 261.391 -0.706 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@H](C[NH3+])OC)CC1 ZINC001119297573 812746859 /nfs/dbraw/zinc/74/68/59/812746859.db2.gz PNVJYCPUMGWLOB-NSHDSACASA-N 2 0 259.350 -0.813 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)NC2(C[NH3+])CCOCC2)C1(F)F ZINC001119299575 812747572 /nfs/dbraw/zinc/74/75/72/812747572.db2.gz JRMYERRLBFIZRK-HTQZYQBOSA-N 2 0 263.288 -0.550 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cn(CCCC[NH3+])nn1)C2 ZINC001119301282 812748350 /nfs/dbraw/zinc/74/83/50/812748350.db2.gz WRSKBXCPZNXYEZ-SMDDNHRTSA-N 2 0 292.387 -0.302 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001119324479 812756279 /nfs/dbraw/zinc/75/62/79/812756279.db2.gz GBEXSPZDXGXZGX-JSGCOSHPSA-N 2 0 267.373 -0.033 20 0 CBADRP C[N@H+](CCCCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC001119350105 812762524 /nfs/dbraw/zinc/76/25/24/812762524.db2.gz XLOYVWRSCGFHKW-TXEJJXNPSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC001119407880 812776841 /nfs/dbraw/zinc/77/68/41/812776841.db2.gz RBOYZSBGEKOKEK-FVCCEPFGSA-N 2 0 296.415 -0.029 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001119418644 812779419 /nfs/dbraw/zinc/77/94/19/812779419.db2.gz RNXMQMIDIJTTJQ-IJLUTSLNSA-N 2 0 294.399 -0.560 20 0 CBADRP Cn1cncc1CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC001119439410 812785900 /nfs/dbraw/zinc/78/59/00/812785900.db2.gz RLSNXOQAISYMDJ-VIFPVBQESA-N 2 0 253.306 -0.792 20 0 CBADRP Cn1cc(-c2nc(CNC(C[NH3+])C[NH3+])cs2)cn1 ZINC001119618336 812834318 /nfs/dbraw/zinc/83/43/18/812834318.db2.gz HDZDAZIABYWFMQ-UHFFFAOYSA-N 2 0 266.374 -0.081 20 0 CBADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H](N)CC[NH3+])C1 ZINC001159133970 815560680 /nfs/dbraw/zinc/56/06/80/815560680.db2.gz LFSXMQDAWTWSEC-NEPJUHHUSA-N 2 0 294.403 -0.921 20 0 CBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)C[C@@H](O)C[NH3+])C1 ZINC001159133537 815560712 /nfs/dbraw/zinc/56/07/12/815560712.db2.gz JJJAKSLPUTWJND-NWDGAFQWSA-N 2 0 295.387 -0.887 20 0 CBADRP c1nc2c(c(NC[C@H]3COCC[NH2+]3)n1)CC[NH2+]CC2 ZINC001159036869 815556265 /nfs/dbraw/zinc/55/62/65/815556265.db2.gz OOKWLYYMCDEZKF-JTQLQIEISA-N 2 0 263.345 -0.435 20 0 CBADRP c1nc2c(c(NC[C@@H]3COCC[NH2+]3)n1)CC[NH2+]CC2 ZINC001159036871 815556537 /nfs/dbraw/zinc/55/65/37/815556537.db2.gz OOKWLYYMCDEZKF-SNVBAGLBSA-N 2 0 263.345 -0.435 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])[C@@H]2CCCO[C@H]12 ZINC001159083937 815557710 /nfs/dbraw/zinc/55/77/10/815557710.db2.gz CTSWASXVGVCYBZ-LOWDOPEQSA-N 2 0 285.388 -0.153 20 0 CBADRP C[NH+](C)CC1(O)CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001119903516 812905096 /nfs/dbraw/zinc/90/50/96/812905096.db2.gz AREODMOCHUIIGA-SNVBAGLBSA-N 2 0 269.345 -0.820 20 0 CBADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)C1 ZINC001120269608 812945062 /nfs/dbraw/zinc/94/50/62/812945062.db2.gz VQWNDKQYKSMUJS-VDDIYKPWSA-N 2 0 252.318 -0.602 20 0 CBADRP CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001120269619 812945346 /nfs/dbraw/zinc/94/53/46/812945346.db2.gz VZRPYRQNKUZRPM-MXWKQRLJSA-N 2 0 261.391 -0.405 20 0 CBADRP Cn1nccc1[C@@H](O)CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC001120277604 812946207 /nfs/dbraw/zinc/94/62/07/812946207.db2.gz KNXNSMJSFAVLTJ-YPMHNXCESA-N 2 0 268.361 -0.502 20 0 CBADRP [NH3+]C1CCN(c2cccc(N3C[C@H](O)C[C@@H]3CO)[nH+]2)CC1 ZINC001159251209 815565690 /nfs/dbraw/zinc/56/56/90/815565690.db2.gz SFZXPNXDVBSOGK-CHWSQXEVSA-N 2 0 292.383 -0.059 20 0 CBADRP C[NH2+]CCNC(=O)c1cnn2cc(CC[NH3+])cnc12 ZINC001120452803 812969192 /nfs/dbraw/zinc/96/91/92/812969192.db2.gz KOCVYIDNRGGATJ-UHFFFAOYSA-N 2 0 262.317 -0.820 20 0 CBADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC001120480733 812972674 /nfs/dbraw/zinc/97/26/74/812972674.db2.gz BQTVFMYCCOXZMQ-GJZGRUSLSA-N 3 0 284.448 -0.474 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC001120500544 812976439 /nfs/dbraw/zinc/97/64/39/812976439.db2.gz OXGCSGNKBFEZMX-OLZOCXBDSA-N 2 0 259.394 -0.391 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC[N@@H+]1C ZINC001120517706 812980749 /nfs/dbraw/zinc/98/07/49/812980749.db2.gz UVZZOCXXYGERDA-JHJVBQTASA-N 2 0 296.415 -0.217 20 0 CBADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159290567 815567538 /nfs/dbraw/zinc/56/75/38/815567538.db2.gz GXIVXBZYAINGCO-STQMWFEESA-N 2 0 279.384 -0.347 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)NCC1=CC[NH2+]CC1 ZINC001120543748 812987800 /nfs/dbraw/zinc/98/78/00/812987800.db2.gz GVJRESNYEJDWIR-GFCCVEGCSA-N 2 0 268.361 -0.464 20 0 CBADRP CN(C(=O)NCCN1CCC([NH3+])CC1)C1CC([NH3+])C1 ZINC001120559999 812991635 /nfs/dbraw/zinc/99/16/35/812991635.db2.gz BFHOWOPKOJGCTN-UHFFFAOYSA-N 2 0 269.393 -0.459 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001120573456 812994397 /nfs/dbraw/zinc/99/43/97/812994397.db2.gz KPZKPCGIVQTNMS-VPOLOUISSA-N 2 0 254.334 -0.833 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001120616305 813001002 /nfs/dbraw/zinc/00/10/02/813001002.db2.gz BEHAORFPCBUENQ-GRYCIOLGSA-N 2 0 270.377 -0.243 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)NC[C@H]([NH3+])C1CC1 ZINC001120629716 813001754 /nfs/dbraw/zinc/00/17/54/813001754.db2.gz JQIIWJWOSAEAEN-MNOVXSKESA-N 2 0 256.350 -0.647 20 0 CBADRP [NH3+]CCNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001120626769 813001876 /nfs/dbraw/zinc/00/18/76/813001876.db2.gz STXTXQSNVNVKLO-ZJUUUORDSA-N 2 0 258.391 -0.176 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC001120629714 813002286 /nfs/dbraw/zinc/00/22/86/813002286.db2.gz JQIIWJWOSAEAEN-GHMZBOCLSA-N 2 0 256.350 -0.647 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)N1CC[NH2+]C[C@@H]1COC ZINC001120630998 813003971 /nfs/dbraw/zinc/00/39/71/813003971.db2.gz VMNRJAAHTMFCNF-GHMZBOCLSA-N 2 0 258.366 -0.386 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC001120637922 813005486 /nfs/dbraw/zinc/00/54/86/813005486.db2.gz BSKJVWBBBGDBNW-JTQLQIEISA-N 2 0 258.366 -0.399 20 0 CBADRP CN1CCN(C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC001120658897 813007800 /nfs/dbraw/zinc/00/78/00/813007800.db2.gz XJFGBPWZXQXLPK-WOPDTQHZSA-N 2 0 269.393 -0.602 20 0 CBADRP [NH3+]C1(CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC001120663823 813008491 /nfs/dbraw/zinc/00/84/91/813008491.db2.gz CLHGJTJARYHWBY-NSHDSACASA-N 2 0 267.377 -0.833 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001159334332 815569785 /nfs/dbraw/zinc/56/97/85/815569785.db2.gz CJIDGRTVRMFSAV-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001159335070 815571125 /nfs/dbraw/zinc/57/11/25/815571125.db2.gz QOZMMYYZMFHCLN-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC001121827094 813078320 /nfs/dbraw/zinc/07/83/20/813078320.db2.gz RICZMEQBXSVSSK-TUAOUCFPSA-N 2 0 267.373 -0.049 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001121817280 813078556 /nfs/dbraw/zinc/07/85/56/813078556.db2.gz LKJDJQLVMPWUMV-WYUUTHIRSA-N 2 0 255.362 -0.444 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)C1 ZINC001121891780 813083352 /nfs/dbraw/zinc/08/33/52/813083352.db2.gz BLFMFYMHTXVZCY-TUAOUCFPSA-N 2 0 252.362 -0.805 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001121895089 813085093 /nfs/dbraw/zinc/08/50/93/813085093.db2.gz ARGUAYRUSJNWMK-DGCLKSJQSA-N 2 0 266.389 -0.415 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001121896183 813085851 /nfs/dbraw/zinc/08/58/51/813085851.db2.gz HLBQGEVQLQPQLR-QWHCGFSZSA-N 2 0 268.405 -0.121 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC001121898414 813086559 /nfs/dbraw/zinc/08/65/59/813086559.db2.gz YKUZFAHZJXMFKF-BJDJZHNGSA-N 2 0 257.378 -0.164 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCC(C[NH2+]C)CC1 ZINC001121896138 813086785 /nfs/dbraw/zinc/08/67/85/813086785.db2.gz GHJAWZOZJLKBHM-ZYHUDNBSSA-N 2 0 257.378 -0.339 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001121901997 813087497 /nfs/dbraw/zinc/08/74/97/813087497.db2.gz SRUFYZJYCIYEME-AAEUAGOBSA-N 2 0 255.362 -0.300 20 0 CBADRP O=C(NCC[NH+]1CCCC1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001121902529 813087821 /nfs/dbraw/zinc/08/78/21/813087821.db2.gz ZAYVQVYBGRVTRM-OCCSQVGLSA-N 2 0 267.373 -0.176 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)NCCC[NH+]1CCC(O)CC1 ZINC001121903069 813088533 /nfs/dbraw/zinc/08/85/33/813088533.db2.gz BQUCFFQDXXYZFY-OAHLLOKOSA-N 2 0 299.415 -0.546 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001121909073 813089005 /nfs/dbraw/zinc/08/90/05/813089005.db2.gz JCZIFTLEWLHREN-GMTAPVOTSA-N 2 0 255.362 -0.172 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001121917794 813089624 /nfs/dbraw/zinc/08/96/24/813089624.db2.gz YYXOHNWUDZYDHD-WDEREUQCSA-N 2 0 255.362 -0.219 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH2+]CCN1C ZINC001121917316 813090287 /nfs/dbraw/zinc/09/02/87/813090287.db2.gz QYDDWUICTVCPRN-QWHCGFSZSA-N 2 0 268.405 -0.119 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC001121939649 813093727 /nfs/dbraw/zinc/09/37/27/813093727.db2.gz LJMOBPMAVUMJTH-VWYCJHECSA-N 2 0 255.362 -0.539 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC001121938850 813093929 /nfs/dbraw/zinc/09/39/29/813093929.db2.gz YGDARSANVVGBSZ-WTPMCQDGSA-N 2 0 257.378 -0.295 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)C1CC([NH3+])C1 ZINC001121943610 813095375 /nfs/dbraw/zinc/09/53/75/813095375.db2.gz KSNQBGARYSGLLI-YYJSSNLHSA-N 2 0 252.362 -0.677 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001121975367 813098809 /nfs/dbraw/zinc/09/88/09/813098809.db2.gz RGONGEDWUXMOFG-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1C[NH2+]CCC12CCC2 ZINC001121987827 813100853 /nfs/dbraw/zinc/10/08/53/813100853.db2.gz BIXIUWYJUZZAGA-RYUDHWBXSA-N 2 0 267.373 -0.129 20 0 CBADRP CN(C(=O)[C@H]1CCCN(CC[NH3+])C1=O)[C@@H](C[NH3+])C1CC1 ZINC001121986505 813101779 /nfs/dbraw/zinc/10/17/79/813101779.db2.gz IPTMVJWQZRFPIF-NEPJUHHUSA-N 2 0 282.388 -0.621 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCn1ccnc1C ZINC001121996048 813103204 /nfs/dbraw/zinc/10/32/04/813103204.db2.gz BRODASPKHPOEDN-KOLCDFICSA-N 2 0 254.334 -0.476 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001121999916 813103208 /nfs/dbraw/zinc/10/32/08/813103208.db2.gz AXBKHXATDZYDKM-LPEHRKFASA-N 2 0 268.361 -0.951 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC001122011049 813103581 /nfs/dbraw/zinc/10/35/81/813103581.db2.gz GSCYCFXPNUETGM-VLJOUNFMSA-N 2 0 269.389 -0.211 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001122010100 813103600 /nfs/dbraw/zinc/10/36/00/813103600.db2.gz JWLSUOMKVKUZDY-GFCCVEGCSA-N 2 0 254.378 -0.475 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1C[NH2+]CCN1C ZINC001122005758 813103862 /nfs/dbraw/zinc/10/38/62/813103862.db2.gz SUVQBEGJOFDMJD-RAIGVLPGSA-N 2 0 266.389 -0.511 20 0 CBADRP C[S@](=O)C1(C(=O)NCCC[NH2+]C2CC2)CC[NH2+]CC1 ZINC001122008550 813103893 /nfs/dbraw/zinc/10/38/93/813103893.db2.gz XXMUORZLLSFUCB-IBGZPJMESA-N 2 0 287.429 -0.255 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001122024845 813106465 /nfs/dbraw/zinc/10/64/65/813106465.db2.gz DIRQQEFQVBDDBU-SNVBAGLBSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H](CCC[NH3+])NC(=O)C[NH+]1CCC(CO)CC1 ZINC001122022930 813106476 /nfs/dbraw/zinc/10/64/76/813106476.db2.gz JQJARCXKSGICJD-LLVKDONJSA-N 2 0 257.378 -0.066 20 0 CBADRP C[C@]1(C(=O)NCCC[C@H]2CCC[NH2+]2)C[C@@H](O)C[NH2+]1 ZINC001122023944 813106636 /nfs/dbraw/zinc/10/66/36/813106636.db2.gz ROCSNJIPPFBHDI-NQBHXWOUSA-N 2 0 255.362 -0.252 20 0 CBADRP C[C@]1(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C[C@H](O)C[NH2+]1 ZINC001122023281 813106646 /nfs/dbraw/zinc/10/66/46/813106646.db2.gz ZPFAGFCQDNFUSR-YUTCNCBUSA-N 2 0 267.373 -0.299 20 0 CBADRP C[NH2+]Cc1ccccc1CNC(=O)C[C@H](O)C[NH3+] ZINC001122046200 813109119 /nfs/dbraw/zinc/10/91/19/813109119.db2.gz BBNSZIFOCDKKPQ-LBPRGKRZSA-N 2 0 251.330 -0.268 20 0 CBADRP C[C@H]([NH3+])CONC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001122070768 813111827 /nfs/dbraw/zinc/11/18/27/813111827.db2.gz GASOGVVWVJBBAV-VIFPVBQESA-N 2 0 255.322 -0.547 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001122064406 813112055 /nfs/dbraw/zinc/11/20/55/813112055.db2.gz XQLWOQHJNAEGPS-GMTAPVOTSA-N 2 0 253.346 -0.521 20 0 CBADRP C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2C[NH2+]CCN2C)C[C@H]1C[NH3+] ZINC001122075146 813113300 /nfs/dbraw/zinc/11/33/00/813113300.db2.gz GVBSCCLQWCKJBP-XQHKEYJVSA-N 2 0 268.405 -0.278 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001122075300 813113382 /nfs/dbraw/zinc/11/33/82/813113382.db2.gz KHMJRSAMRCMJKP-LOWVWBTDSA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001122080161 813114875 /nfs/dbraw/zinc/11/48/75/813114875.db2.gz CIVYUHOYYKECEN-LOWDOPEQSA-N 2 0 266.389 -0.239 20 0 CBADRP [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)o1 ZINC001122093656 813115568 /nfs/dbraw/zinc/11/55/68/813115568.db2.gz CZDGCIHXKJZTCB-SNVBAGLBSA-N 2 0 267.329 -0.075 20 0 CBADRP C[NH2+]CCOc1cccc(C(=O)N(C)C[C@@H](O)C[NH2+]C)c1 ZINC001122100166 813116561 /nfs/dbraw/zinc/11/65/61/813116561.db2.gz NBAFGKPNHHSKNQ-ZDUSSCGKSA-N 2 0 295.383 -0.063 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCOCC1 ZINC001122107708 813118864 /nfs/dbraw/zinc/11/88/64/813118864.db2.gz JTNQEXQLINSEPG-MXWKQRLJSA-N 2 0 255.362 -0.016 20 0 CBADRP O=C(N1CC[NH2+]C[C@@H]1CO)[C@]12CCC[C@H]1[NH2+]CC2 ZINC001122123677 813120106 /nfs/dbraw/zinc/12/01/06/813120106.db2.gz AGXSPJKLDKPNLY-WZRBSPASSA-N 2 0 253.346 -0.689 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)C1(F)F ZINC001122143963 813123866 /nfs/dbraw/zinc/12/38/66/813123866.db2.gz RVBUIYHNGRZKOF-XLPZGREQSA-N 2 0 261.272 -0.927 20 0 CBADRP [NH3+]CC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001122154779 813125117 /nfs/dbraw/zinc/12/51/17/813125117.db2.gz ZEBGMBWNDCGSAN-TXEJJXNPSA-N 2 0 252.362 -0.628 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@@H](O)C[NH3+])[NH+]1CCCCC1 ZINC001122149297 813125327 /nfs/dbraw/zinc/12/53/27/813125327.db2.gz UUUDWJFVEKYCJA-RYUDHWBXSA-N 2 0 257.378 -0.067 20 0 CBADRP C[C@]1(NC(=O)c2ccn(CCC[NH3+])n2)CC[NH2+]C1 ZINC001122160798 813125763 /nfs/dbraw/zinc/12/57/63/813125763.db2.gz UOWSWRPOHHKYIL-LBPRGKRZSA-N 2 0 251.334 -0.286 20 0 CBADRP [NH3+][C@H](CC1CCCCC1)C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001122156451 813126024 /nfs/dbraw/zinc/12/60/24/813126024.db2.gz NNZGUOMIANFNOX-UTUOFQBUSA-N 2 0 255.362 -0.267 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC001122157088 813126282 /nfs/dbraw/zinc/12/62/82/813126282.db2.gz TUMUDDPPKUTSGJ-NAWOPXAZSA-N 2 0 267.373 -0.254 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)N2NC(=O)CC23CC[NH2+]CC3)C1 ZINC001122181338 813129300 /nfs/dbraw/zinc/12/93/00/813129300.db2.gz ICKCIQIOOUXGPU-KYZUINATSA-N 2 0 252.318 -0.891 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001122183904 813129315 /nfs/dbraw/zinc/12/93/15/813129315.db2.gz YUXLKCWIIQBWFN-NEPJUHHUSA-N 2 0 257.378 -0.067 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCCC[C@@H]1C[NH3+] ZINC001122191044 813130603 /nfs/dbraw/zinc/13/06/03/813130603.db2.gz IFJCNKVFBHLYFH-UPJWGTAASA-N 2 0 266.389 -0.286 20 0 CBADRP O=C(NCCCCCN1CC[NH2+]CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001122194641 813131506 /nfs/dbraw/zinc/13/15/06/813131506.db2.gz IVXKMXCVSVRLDH-WDNDVIMCSA-N 2 0 280.416 -0.357 20 0 CBADRP CC1(C(=O)NCCCCCN2CC[NH2+]CC2)C[NH2+]C1 ZINC001122194522 813131974 /nfs/dbraw/zinc/13/19/74/813131974.db2.gz FFRZYDOKMSMFHZ-UHFFFAOYSA-N 2 0 268.405 -0.212 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001122201588 813133042 /nfs/dbraw/zinc/13/30/42/813133042.db2.gz BDSGYKXVKCLCPH-TUAOUCFPSA-N 2 0 267.373 -0.062 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC001122205558 813133093 /nfs/dbraw/zinc/13/30/93/813133093.db2.gz MEDCSAGRAVUXAP-XKAARJIMSA-N 2 0 253.346 -0.574 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001122215873 813133622 /nfs/dbraw/zinc/13/36/22/813133622.db2.gz FLERSERADUIHRY-XQQFMLRXSA-N 2 0 267.373 -0.177 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCN1C ZINC001122214930 813134065 /nfs/dbraw/zinc/13/40/65/813134065.db2.gz QVHSDFPRVYBSGQ-NEPJUHHUSA-N 2 0 254.378 -0.510 20 0 CBADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@@H]1CO ZINC001122208533 813134412 /nfs/dbraw/zinc/13/44/12/813134412.db2.gz OEISBXDWRYFCSU-HEKLCECKSA-N 2 0 253.346 -0.665 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CC[NH2+]CCC12CCC2 ZINC001122208042 813134626 /nfs/dbraw/zinc/13/46/26/813134626.db2.gz NQALGVPEQFTMCH-NWDGAFQWSA-N 2 0 269.389 -0.053 20 0 CBADRP CC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001122229108 813136163 /nfs/dbraw/zinc/13/61/63/813136163.db2.gz NPEXLWNPKREAIJ-MNOVXSKESA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001122224054 813136409 /nfs/dbraw/zinc/13/64/09/813136409.db2.gz CBJYQNYVPCICGF-XWIASGKRSA-N 2 0 266.345 -0.391 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])CC(F)F)C1(C[NH3+])CCOCC1 ZINC001122354679 813151855 /nfs/dbraw/zinc/15/18/55/813151855.db2.gz DNWUNXQYPUXOLK-QMMMGPOBSA-N 2 0 265.304 -0.065 20 0 CBADRP C[NH2+]C1(C(=O)NCCN2CCC([NH3+])CC2)CCC1 ZINC001122240283 813136993 /nfs/dbraw/zinc/13/69/93/813136993.db2.gz UMOPPJVDFFHDPT-UHFFFAOYSA-N 2 0 254.378 -0.332 20 0 CBADRP [NH3+][C@H](CC(=O)NCCN1CCC([NH3+])CC1)C1CC1 ZINC001122240361 813137210 /nfs/dbraw/zinc/13/72/10/813137210.db2.gz VUZISSCNKPMMKT-GFCCVEGCSA-N 2 0 254.378 -0.347 20 0 CBADRP C[NH2+]CCN(C(=O)[C@@H]1CCCN(CC[NH3+])C1=O)C(C)C ZINC001122258134 813138195 /nfs/dbraw/zinc/13/81/95/813138195.db2.gz LWYDIBRDLDRGTN-GFCCVEGCSA-N 2 0 284.404 -0.360 20 0 CBADRP CC(C)[C@H](C(=O)N1CCC[C@@]([NH3+])(CO)C1)[NH+](C)C ZINC001122291456 813140986 /nfs/dbraw/zinc/14/09/86/813140986.db2.gz KRKPWMKGJHWHAE-YPMHNXCESA-N 2 0 257.378 -0.115 20 0 CBADRP CC(C)[C@H](C(=O)N1CCC[C@]([NH3+])(CO)C1)[NH+](C)C ZINC001122291453 813141089 /nfs/dbraw/zinc/14/10/89/813141089.db2.gz KRKPWMKGJHWHAE-DGCLKSJQSA-N 2 0 257.378 -0.115 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001122295716 813142094 /nfs/dbraw/zinc/14/20/94/813142094.db2.gz BQLCAYXXOGJKEG-ZYHUDNBSSA-N 2 0 269.389 -0.149 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC001122301851 813142779 /nfs/dbraw/zinc/14/27/79/813142779.db2.gz NGQHKKXJPGZAEH-OPDFLTKYSA-N 2 0 267.373 -0.179 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001122327707 813147027 /nfs/dbraw/zinc/14/70/27/813147027.db2.gz ZTRVBYLFDRARMZ-MFKMUULPSA-N 2 0 255.362 -0.171 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001122333435 813148558 /nfs/dbraw/zinc/14/85/58/813148558.db2.gz ZAZVMWQYWHBIRK-VXGBXAGGSA-N 2 0 255.362 -0.225 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC001122362334 813153027 /nfs/dbraw/zinc/15/30/27/813153027.db2.gz AQQWGZBPXZHJMZ-LLVKDONJSA-N 2 0 280.376 -0.255 20 0 CBADRP CN1CCN(C)CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC001122376694 813155658 /nfs/dbraw/zinc/15/56/58/813155658.db2.gz DYVQHUACLSOHDD-UHFFFAOYSA-N 2 0 254.378 -0.556 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC[NH2+]C1 ZINC001122389588 813158662 /nfs/dbraw/zinc/15/86/62/813158662.db2.gz FXWPAVRCKKDDFJ-XZUYRWCXSA-N 2 0 253.346 -0.378 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC001122412733 813162458 /nfs/dbraw/zinc/16/24/58/813162458.db2.gz XZJZYZPOVVKIMS-BREBYQMCSA-N 2 0 269.345 -0.393 20 0 CBADRP CC(C)([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001122442407 813165603 /nfs/dbraw/zinc/16/56/03/813165603.db2.gz OVPKVAOJWCUIJE-GHMZBOCLSA-N 2 0 255.362 -0.219 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(N2CC[NH2+]CC2)nn1 ZINC001159779362 815594959 /nfs/dbraw/zinc/59/49/59/815594959.db2.gz FXCKWHHUHCJXQA-SNVBAGLBSA-N 3 0 265.365 -0.678 20 0 CBADRP CC(C)(C[NH3+])C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001122476242 813168556 /nfs/dbraw/zinc/16/85/56/813168556.db2.gz WOISOFCWQYHFOB-UHFFFAOYSA-N 2 0 255.362 -0.049 20 0 CBADRP COCC1(C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[NH2+]CC1 ZINC001122475759 813168603 /nfs/dbraw/zinc/16/86/03/813168603.db2.gz UGXKOININMNDBV-GDNZZTSVSA-N 2 0 267.373 -0.321 20 0 CBADRP COC(=O)c1cc(N[C@H]([NH3+])CCC[NH3+])ncc1N ZINC001159783111 815595019 /nfs/dbraw/zinc/59/50/19/815595019.db2.gz BLEQTYUNZOEOPA-VIFPVBQESA-N 2 0 253.306 -0.114 20 0 CBADRP [NH3+][C@H]1C[C@H](NC(=O)C2CC3(C2)C[C@H]([NH3+])CCO3)C1 ZINC001122490439 813170900 /nfs/dbraw/zinc/17/09/00/813170900.db2.gz XFFSMXWCIFULGZ-QZGSDSDNSA-N 2 0 253.346 -0.121 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)=NO1 ZINC001122524537 813173348 /nfs/dbraw/zinc/17/33/48/813173348.db2.gz FHTGAWFMPPKFEZ-UISBYWKRSA-N 2 0 252.318 -0.509 20 0 CBADRP CNS(=O)(=O)c1cccnc1N[C@H]([NH3+])CCC[NH3+] ZINC001159786853 815596359 /nfs/dbraw/zinc/59/63/59/815596359.db2.gz LLNGCZIWFGKOSA-VIFPVBQESA-N 2 0 273.362 -0.575 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1ccnc(N2CCOCC2)n1 ZINC001159786975 815596636 /nfs/dbraw/zinc/59/66/36/815596636.db2.gz OXPUHXFALPPVIX-SNVBAGLBSA-N 2 0 266.349 -0.251 20 0 CBADRP C[NH+](C)C1(C(=O)NCCC[NH2+]CC(N)=O)CCC1 ZINC001159853240 815600367 /nfs/dbraw/zinc/60/03/67/815600367.db2.gz BBVCOJOYIFWCNQ-UHFFFAOYSA-N 2 0 256.350 -0.948 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001159855013 815601189 /nfs/dbraw/zinc/60/11/89/815601189.db2.gz ZWHNMWCPBIVGJF-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP CN(C)C(=O)[C@H]1CC12CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2 ZINC001159863305 815601697 /nfs/dbraw/zinc/60/16/97/815601697.db2.gz RPNUIZVCOCXSRZ-NEPJUHHUSA-N 2 0 296.415 -0.231 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCCn1ccnc1 ZINC001123476853 813241636 /nfs/dbraw/zinc/24/16/36/813241636.db2.gz RHTQNFPZQWUCTR-OLZOCXBDSA-N 2 0 277.372 -0.222 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH+]1CCCC1 ZINC001123482107 813242906 /nfs/dbraw/zinc/24/29/06/813242906.db2.gz KASZDJGJPOSRSS-OLZOCXBDSA-N 2 0 266.389 -0.413 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC([NH+](C)C)C1 ZINC001123775515 813270264 /nfs/dbraw/zinc/27/02/64/813270264.db2.gz XJKBKEYJXAAYJW-JQWIXIFHSA-N 2 0 252.362 -0.853 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001123860984 813280541 /nfs/dbraw/zinc/28/05/41/813280541.db2.gz WGHCPPRLCAGNLY-JSGCOSHPSA-N 2 0 269.389 -0.147 20 0 CBADRP C[NH+](C)C[C@]1(O)CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001123859594 813281052 /nfs/dbraw/zinc/28/10/52/813281052.db2.gz HBWGYTICKJWCLP-CQSZACIVSA-N 2 0 269.389 -0.004 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001124838318 813485128 /nfs/dbraw/zinc/48/51/28/813485128.db2.gz VXKZOXUQLREQKK-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001124837289 813485618 /nfs/dbraw/zinc/48/56/18/813485618.db2.gz LDHRQCKFUSIDSA-GFCCVEGCSA-N 2 0 282.388 -0.687 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001124835488 813485932 /nfs/dbraw/zinc/48/59/32/813485932.db2.gz AETYNKAHKLQNQD-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001124837298 813486246 /nfs/dbraw/zinc/48/62/46/813486246.db2.gz LDHRQCKFUSIDSA-LBPRGKRZSA-N 2 0 282.388 -0.687 20 0 CBADRP CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124866942 813489318 /nfs/dbraw/zinc/48/93/18/813489318.db2.gz NZZMIHBSHQCGCL-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCO[C@H]1CCOC1 ZINC001124866580 813489436 /nfs/dbraw/zinc/48/94/36/813489436.db2.gz GKDIGTXLDWCGDV-KBPBESRZSA-N 2 0 299.415 -0.018 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H]1CCOC1 ZINC001124866357 813489455 /nfs/dbraw/zinc/48/94/55/813489455.db2.gz AUTGFAHBZNKTQE-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001124867019 813489567 /nfs/dbraw/zinc/48/95/67/813489567.db2.gz PZUKSCVJTUYLIW-ZIAGYGMSSA-N 2 0 299.415 -0.018 20 0 CBADRP Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001124872947 813491366 /nfs/dbraw/zinc/49/13/66/813491366.db2.gz PTYVWWOIINIAGZ-CYBMUJFWSA-N 2 0 294.403 -0.305 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124867482 813491791 /nfs/dbraw/zinc/49/17/91/813491791.db2.gz WIQSMNXSHJVVBA-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001124879660 813493285 /nfs/dbraw/zinc/49/32/85/813493285.db2.gz YBBCGYMOVNHVOP-RYUDHWBXSA-N 2 0 292.387 -0.435 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124877592 813493312 /nfs/dbraw/zinc/49/33/12/813493312.db2.gz GZVPTUGKJGDGMJ-LBPRGKRZSA-N 2 0 273.377 -0.551 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001124878404 813493683 /nfs/dbraw/zinc/49/36/83/813493683.db2.gz LQWRHIVEWMCQAQ-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001124878401 813493779 /nfs/dbraw/zinc/49/37/79/813493779.db2.gz LQWRHIVEWMCQAQ-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001124878818 813494616 /nfs/dbraw/zinc/49/46/16/813494616.db2.gz OWJVSUCACOJRKF-ZJUUUORDSA-N 2 0 256.350 -0.950 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001127065620 813708829 /nfs/dbraw/zinc/70/88/29/813708829.db2.gz CDIXDOQDVQLWPH-SNVBAGLBSA-N 2 0 256.350 -0.950 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127066826 813709904 /nfs/dbraw/zinc/70/99/04/813709904.db2.gz SRCMDBHCHVSLQS-LLVKDONJSA-N 2 0 270.377 -0.689 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001127065845 813709993 /nfs/dbraw/zinc/70/99/93/813709993.db2.gz FYETYRJCVMRYEL-CHWSQXEVSA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001127065667 813710007 /nfs/dbraw/zinc/71/00/07/813710007.db2.gz CUNUUECIHUJGKL-RYUDHWBXSA-N 2 0 282.388 -0.547 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001127067498 813710450 /nfs/dbraw/zinc/71/04/50/813710450.db2.gz YKYAQOPOSRYFFF-GHMZBOCLSA-N 2 0 270.377 -0.561 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(N)=O ZINC001127082501 813711873 /nfs/dbraw/zinc/71/18/73/813711873.db2.gz SHHBNHDEFGCWBW-NWDGAFQWSA-N 2 0 284.404 -0.171 20 0 CBADRP O=C(NCC[NH2+]CCOCCO)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256766 813721335 /nfs/dbraw/zinc/72/13/35/813721335.db2.gz RQAGTIAANCGMEU-KGLIPLIRSA-N 2 0 299.415 -0.425 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127260222 813721628 /nfs/dbraw/zinc/72/16/28/813721628.db2.gz AABUTXNJRFNSDL-NEPJUHHUSA-N 2 0 255.362 -0.441 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127260230 813722022 /nfs/dbraw/zinc/72/20/22/813722022.db2.gz AABUTXNJRFNSDL-VXGBXAGGSA-N 2 0 255.362 -0.441 20 0 CBADRP CC(C)(C(=O)NCC[NH2+]CC(N)=O)[NH+]1CCCCC1 ZINC001127321955 813723105 /nfs/dbraw/zinc/72/31/05/813723105.db2.gz ICGXIQDTZRYVNZ-UHFFFAOYSA-N 2 0 270.377 -0.558 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127470714 813731229 /nfs/dbraw/zinc/73/12/29/813731229.db2.gz ABIJSAQVLGYOKZ-LBPRGKRZSA-N 2 0 255.362 -0.320 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475370 813731744 /nfs/dbraw/zinc/73/17/44/813731744.db2.gz USLYJYCDQFBBGD-GFCCVEGCSA-N 2 0 282.388 -0.878 20 0 CBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)NC1CC1 ZINC001127475131 813732268 /nfs/dbraw/zinc/73/22/68/813732268.db2.gz RGKCVHAYYUWORV-ZDUSSCGKSA-N 2 0 294.399 -0.687 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127481574 813733013 /nfs/dbraw/zinc/73/30/13/813733013.db2.gz USPYWIVLCRTHMA-PWSUYJOCSA-N 2 0 282.388 -0.832 20 0 CBADRP O=C(NCC[NH2+]CCn1cncn1)[C@@H]1C[NH+]2CCC1CC2 ZINC001127479648 813733650 /nfs/dbraw/zinc/73/36/50/813733650.db2.gz DHGLCSJUOGABKG-CYBMUJFWSA-N 2 0 292.387 -0.674 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127480823 813734006 /nfs/dbraw/zinc/73/40/06/813734006.db2.gz MUYJTZMVQWYKMR-ZYHUDNBSSA-N 2 0 255.362 -0.585 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)N(C)C ZINC001127481133 813734120 /nfs/dbraw/zinc/73/41/20/813734120.db2.gz PVKRVFJWZXNWAF-YPMHNXCESA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCN2CCCC2=O)CC[N@@H+]1C ZINC001127643582 813738548 /nfs/dbraw/zinc/73/85/48/813738548.db2.gz BNWINDDMSGYGMZ-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001127644262 813738699 /nfs/dbraw/zinc/73/86/99/813738699.db2.gz XESHXQSUBXEBMW-IJLUTSLNSA-N 2 0 282.388 -0.737 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2cnnn2C)CC[N@@H+]1C ZINC001127695235 813740909 /nfs/dbraw/zinc/74/09/09/813740909.db2.gz FUMABIATSAXPLE-QWHCGFSZSA-N 2 0 294.403 -0.249 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127690707 813741162 /nfs/dbraw/zinc/74/11/62/813741162.db2.gz RLTQJDRJDXZFKM-DGCLKSJQSA-N 2 0 294.403 -0.156 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NC(C)C)CC[N@@H+]1C ZINC001127695544 813741371 /nfs/dbraw/zinc/74/13/71/813741371.db2.gz PWWFFHUZPOYETK-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCOCCO)CC[N@@H+]1C ZINC001127701291 813741897 /nfs/dbraw/zinc/74/18/97/813741897.db2.gz MXMBHRKGFKQYBQ-QWHCGFSZSA-N 2 0 287.404 -0.569 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC001127701470 813742191 /nfs/dbraw/zinc/74/21/91/813742191.db2.gz PPFOYHNTCAMNJP-YNEHKIRRSA-N 2 0 296.415 -0.299 20 0 CBADRP O=C(NCC[NH2+]CC1CC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127778836 813747145 /nfs/dbraw/zinc/74/71/45/813747145.db2.gz GTCFMTFIMOLDTN-QWHCGFSZSA-N 2 0 267.373 -0.035 20 0 CBADRP CC(C)OCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127760323 813747182 /nfs/dbraw/zinc/74/71/82/813747182.db2.gz JEGHPCWXODIPLX-ZIAGYGMSSA-N 2 0 299.415 -0.020 20 0 CBADRP CC(C)[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127760107 813747325 /nfs/dbraw/zinc/74/73/25/813747325.db2.gz DJFPPVMCYDIFHM-NWDGAFQWSA-N 2 0 255.362 -0.036 20 0 CBADRP O=C(NCC[NH2+]CC1CC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127778834 813747763 /nfs/dbraw/zinc/74/77/63/813747763.db2.gz GTCFMTFIMOLDTN-OLZOCXBDSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001128533193 813779081 /nfs/dbraw/zinc/77/90/81/813779081.db2.gz IRSBRQWUCBHPLN-GHMZBOCLSA-N 2 0 288.367 -0.739 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)[C@H](F)C[NH+](CC)CC)C(N)=O ZINC001128539864 813779392 /nfs/dbraw/zinc/77/93/92/813779392.db2.gz MHHZHPPFDSJFIB-MNOVXSKESA-N 2 0 290.383 -0.364 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001128773927 813796854 /nfs/dbraw/zinc/79/68/54/813796854.db2.gz IYCRFRKPBROXIT-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001128774216 813797324 /nfs/dbraw/zinc/79/73/24/813797324.db2.gz PEKPKWXFNWGHQD-ZDUSSCGKSA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001128778156 813797777 /nfs/dbraw/zinc/79/77/77/813797777.db2.gz BNTXZWOQPDOWOI-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001128783869 813799768 /nfs/dbraw/zinc/79/97/68/813799768.db2.gz JLDXVUUHCCJBFP-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001128783477 813800413 /nfs/dbraw/zinc/80/04/13/813800413.db2.gz HRDISQHGZFQRJI-CYBMUJFWSA-N 2 0 294.403 -0.142 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001129363529 813839728 /nfs/dbraw/zinc/83/97/28/813839728.db2.gz IRVHFPVIGMQLKI-LLVKDONJSA-N 2 0 282.388 -0.593 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001129418986 813841100 /nfs/dbraw/zinc/84/11/00/813841100.db2.gz ZTGUHRZPLAITPK-CHWSQXEVSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC(=O)N1CCCC1)C1CC1 ZINC001129435152 813841529 /nfs/dbraw/zinc/84/15/29/813841529.db2.gz CFNFYLOPEUBXOF-AWEZNQCLSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435169 813842051 /nfs/dbraw/zinc/84/20/51/813842051.db2.gz CNZVSPWMXUBRPO-LBPRGKRZSA-N 2 0 270.377 -0.879 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001129422729 813843495 /nfs/dbraw/zinc/84/34/95/813843495.db2.gz LHNSRPVMRUNBDN-NWDGAFQWSA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]CCO ZINC001129423307 813843726 /nfs/dbraw/zinc/84/37/26/813843726.db2.gz RWJULTFSLUZRNH-GFCCVEGCSA-N 2 0 257.378 -0.053 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001129422732 813843828 /nfs/dbraw/zinc/84/38/28/813843828.db2.gz LHNSRPVMRUNBDN-VXGBXAGGSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)C(=O)NC1CC1 ZINC001129450382 813844340 /nfs/dbraw/zinc/84/43/40/813844340.db2.gz ZQXNDKIIKNKWMQ-MFKMUULPSA-N 2 0 296.415 -0.301 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1=O ZINC001129443327 813844546 /nfs/dbraw/zinc/84/45/46/813844546.db2.gz IXQNNHHPQUHHKX-OLZOCXBDSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001129437178 813844720 /nfs/dbraw/zinc/84/47/20/813844720.db2.gz WUYUZVCKNFDSRY-RYUDHWBXSA-N 2 0 282.388 -0.689 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129444538 813844938 /nfs/dbraw/zinc/84/49/38/813844938.db2.gz UVBNPOCHYVUBJC-GXSJLCMTSA-N 2 0 270.377 -0.833 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129450369 813845418 /nfs/dbraw/zinc/84/54/18/813845418.db2.gz ZMFAJXOCJCERSZ-DGCLKSJQSA-N 2 0 298.431 -0.053 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129437403 813845450 /nfs/dbraw/zinc/84/54/50/813845450.db2.gz ZXAPBJDYZGAUGS-LBPRGKRZSA-N 2 0 270.377 -0.832 20 0 CBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CCN1CCNC1=O)C1CC1 ZINC001129442694 813846205 /nfs/dbraw/zinc/84/62/05/813846205.db2.gz CZXYFEHZNFQGES-LBPRGKRZSA-N 2 0 297.403 -0.942 20 0 CBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CCN1CCCC1=O)C1CC1 ZINC001129444080 813846224 /nfs/dbraw/zinc/84/62/24/813846224.db2.gz PUOBFVISSGUEMW-AWEZNQCLSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129840744 813870123 /nfs/dbraw/zinc/87/01/23/813870123.db2.gz IRDRVLIZPHXNHO-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001129854973 813870582 /nfs/dbraw/zinc/87/05/82/813870582.db2.gz AQIZYGLXUVNGMT-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001129854974 813870795 /nfs/dbraw/zinc/87/07/95/813870795.db2.gz AQIZYGLXUVNGMT-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129839428 813870947 /nfs/dbraw/zinc/87/09/47/813870947.db2.gz ACNCTNYKBLISAI-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001129947126 813882916 /nfs/dbraw/zinc/88/29/16/813882916.db2.gz KZLRIRZFDSZNKF-JQWIXIFHSA-N 2 0 298.387 -0.916 20 0 CBADRP CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129994421 813892803 /nfs/dbraw/zinc/89/28/03/813892803.db2.gz MWTPMXMJNJVIHB-NEPJUHHUSA-N 2 0 280.376 -0.409 20 0 CBADRP CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137141 813910857 /nfs/dbraw/zinc/91/08/57/813910857.db2.gz LHNOHWUOPFZMTL-OLZOCXBDSA-N 2 0 294.403 -0.020 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130173734 813913285 /nfs/dbraw/zinc/91/32/85/813913285.db2.gz MOXUGETYKAQGFI-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130188575 813917176 /nfs/dbraw/zinc/91/71/76/813917176.db2.gz GQKUHCVGEUBFBL-NWDGAFQWSA-N 2 0 255.362 -0.299 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1)[NH+](C)C ZINC001130203194 813918048 /nfs/dbraw/zinc/91/80/48/813918048.db2.gz IPYIPPUWCVGGOI-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CCOCCO)[NH+](C)C ZINC001130203426 813919212 /nfs/dbraw/zinc/91/92/12/813919212.db2.gz LHTPPMSFMLZPPD-LLVKDONJSA-N 2 0 261.366 -0.959 20 0 CBADRP C[C@H](O)C[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130231680 813920121 /nfs/dbraw/zinc/92/01/21/813920121.db2.gz BYLRSFHAPDWLNS-LBPRGKRZSA-N 2 0 287.404 -0.569 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001130297110 813922436 /nfs/dbraw/zinc/92/24/36/813922436.db2.gz IDLGJCLOCCZGLA-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130303423 813924408 /nfs/dbraw/zinc/92/44/08/813924408.db2.gz CDNVLQMKYAAOGG-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001130303741 813925676 /nfs/dbraw/zinc/92/56/76/813925676.db2.gz INMYTHAZGZSQPG-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1=O ZINC001130300846 813925895 /nfs/dbraw/zinc/92/58/95/813925895.db2.gz WCYGIUYILZLXDP-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001130425351 813938862 /nfs/dbraw/zinc/93/88/62/813938862.db2.gz VERPYGUQXOTRRI-JTQLQIEISA-N 2 0 298.387 -0.772 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130419316 813938921 /nfs/dbraw/zinc/93/89/21/813938921.db2.gz UMHWQCVUVPIYBR-UHFFFAOYSA-N 2 0 286.420 -0.051 20 0 CBADRP Cc1c(C(=O)NCC[NH2+][C@H](C)C(N)=O)ccc2c[nH+]cn21 ZINC001130656719 813961675 /nfs/dbraw/zinc/96/16/75/813961675.db2.gz ZBPGFJGSEPNLRU-SECBINFHSA-N 2 0 289.339 -0.164 20 0 CBADRP O=C(NCC[NH2+]CCCO)C12CCC[NH+]1CCC2 ZINC001130810588 813983769 /nfs/dbraw/zinc/98/37/69/813983769.db2.gz XELDFOCKBXRWBH-UHFFFAOYSA-N 2 0 255.362 -0.297 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130868073 813989063 /nfs/dbraw/zinc/98/90/63/813989063.db2.gz YWLGPEFWVYENCO-UHFFFAOYSA-N 2 0 299.338 -0.018 20 0 CBADRP COC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131522137 814037502 /nfs/dbraw/zinc/03/75/02/814037502.db2.gz UFYDBWWEADTXPN-UQJCBBSYSA-N 2 0 297.399 -0.410 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@]2(CC[N@H+](CCO)C2)O1 ZINC001131682395 814053795 /nfs/dbraw/zinc/05/37/95/814053795.db2.gz OQKFBVSYQJDSIU-UKRRQHHQSA-N 2 0 299.415 -0.378 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131789957 814069186 /nfs/dbraw/zinc/06/91/86/814069186.db2.gz BVMOHTXBFUIPRD-AAEUAGOBSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CCO ZINC001132279410 814120778 /nfs/dbraw/zinc/12/07/78/814120778.db2.gz WSQBZLGGYDHRGA-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)COCC[NH+](C)C)C[N@@H+]1CCO ZINC001132425610 814148090 /nfs/dbraw/zinc/14/80/90/814148090.db2.gz JTBNBUCGYSIRBQ-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP COC[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132852118 814194017 /nfs/dbraw/zinc/19/40/17/814194017.db2.gz HZVONGIUVUXJTR-CHWSQXEVSA-N 2 0 287.404 -0.164 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)c1occc1C[NH+](C)C)C(N)=O ZINC001132983996 814205441 /nfs/dbraw/zinc/20/54/41/814205441.db2.gz UTDVDRRQGKDAKZ-SECBINFHSA-N 2 0 282.344 -0.466 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132995570 814207557 /nfs/dbraw/zinc/20/75/57/814207557.db2.gz YTVBRHHFHBKIHO-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040347 814211955 /nfs/dbraw/zinc/21/19/55/814211955.db2.gz MLQNYHKTQPQLHA-UHFFFAOYSA-N 2 0 282.392 -0.154 20 0 CBADRP C[NH+](C)CCCC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001133052004 814212093 /nfs/dbraw/zinc/21/20/93/814212093.db2.gz XXDRGZSMVAURRK-CYBMUJFWSA-N 2 0 297.403 -0.708 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040201 814212490 /nfs/dbraw/zinc/21/24/90/814212490.db2.gz FUQYJPGSLRJXBV-UHFFFAOYSA-N 2 0 286.420 -0.099 20 0 CBADRP C[NH+](C)CCCC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001133040265 814212665 /nfs/dbraw/zinc/21/26/65/814212665.db2.gz ISTKDYQYBVMODH-UHFFFAOYSA-N 2 0 270.377 -0.687 20 0 CBADRP C[NH+](C)CCCC(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001133042298 814212912 /nfs/dbraw/zinc/21/29/12/814212912.db2.gz DNLVXHHSMGOHKM-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001133190215 814225350 /nfs/dbraw/zinc/22/53/50/814225350.db2.gz FLXYWNQIIGELMT-STQMWFEESA-N 2 0 298.431 -0.112 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001133190214 814226424 /nfs/dbraw/zinc/22/64/24/814226424.db2.gz FLXYWNQIIGELMT-QWHCGFSZSA-N 2 0 298.431 -0.112 20 0 CBADRP CCCCNC(=O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133288311 814235027 /nfs/dbraw/zinc/23/50/27/814235027.db2.gz VFHIFBVZIBBRKE-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NCC2CC2)CC1 ZINC001133285782 814235553 /nfs/dbraw/zinc/23/55/53/814235553.db2.gz IKIBEXRAUNXFDH-UHFFFAOYSA-N 2 0 296.415 -0.440 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001133282080 814235866 /nfs/dbraw/zinc/23/58/66/814235866.db2.gz ZWVWQIRDSGTYTB-NSHDSACASA-N 2 0 284.404 -0.489 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001133287042 814236316 /nfs/dbraw/zinc/23/63/16/814236316.db2.gz DKRBVQJRUCTJCD-NSHDSACASA-N 2 0 280.376 -0.577 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133281816 814236391 /nfs/dbraw/zinc/23/63/91/814236391.db2.gz NPNYIGKDNSTLIG-JTQLQIEISA-N 2 0 270.377 -0.832 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133297661 814239026 /nfs/dbraw/zinc/23/90/26/814239026.db2.gz PAKONCMFZFEMMO-UHFFFAOYSA-N 2 0 261.366 -0.693 20 0 CBADRP CN1CCC[C@H]([NH2+]CCNC(=O)CC[NH+](C)C)C1=O ZINC001133298186 814239315 /nfs/dbraw/zinc/23/93/15/814239315.db2.gz ZFJKAZXHLJWMFV-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001133297396 814240108 /nfs/dbraw/zinc/24/01/08/814240108.db2.gz MSSBRCULNWRHCR-LLVKDONJSA-N 2 0 291.417 -0.921 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C ZINC001133433868 814253699 /nfs/dbraw/zinc/25/36/99/814253699.db2.gz CLYIXEPZBVZASD-NWDGAFQWSA-N 2 0 284.404 -0.491 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)C)[NH+](CC)CC ZINC001133685298 814287852 /nfs/dbraw/zinc/28/78/52/814287852.db2.gz SGQFYIQPDDMHIM-LBPRGKRZSA-N 2 0 286.420 -0.099 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)NC)[NH+](CC)CC ZINC001133685331 814288389 /nfs/dbraw/zinc/28/83/89/814288389.db2.gz TVOHEILFYZXEQK-LLVKDONJSA-N 2 0 272.393 -0.441 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001133819652 814300962 /nfs/dbraw/zinc/30/09/62/814300962.db2.gz KEYCYWCOODHPQU-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CCOCCO ZINC001133819832 814301008 /nfs/dbraw/zinc/30/10/08/814301008.db2.gz PIQUZNMLJMBRTN-GFCCVEGCSA-N 2 0 273.377 -0.815 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]Cc1cnnn1C ZINC001133833714 814301540 /nfs/dbraw/zinc/30/15/40/814301540.db2.gz DDWSDISYWRJDTF-LLVKDONJSA-N 2 0 280.376 -0.495 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)C[N@@H+]2CCC[C@H]2C)C1=O ZINC001133823475 814302920 /nfs/dbraw/zinc/30/29/20/814302920.db2.gz HKGCCEXWLDGSRH-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CCN1CCCC1=O ZINC001133824137 814303230 /nfs/dbraw/zinc/30/32/30/814303230.db2.gz YOKKGYGBXXHJRP-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845930 814306184 /nfs/dbraw/zinc/30/61/84/814306184.db2.gz QDSTWSWLVGZJNN-CYBMUJFWSA-N 2 0 287.404 -0.303 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845957 814306214 /nfs/dbraw/zinc/30/62/14/814306214.db2.gz QMFKTSRWTIYAFE-VXGBXAGGSA-N 2 0 273.377 -0.959 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133853204 814306604 /nfs/dbraw/zinc/30/66/04/814306604.db2.gz DZXQTYADCXFPBD-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC2CC2)C1 ZINC001133846036 814306676 /nfs/dbraw/zinc/30/66/76/814306676.db2.gz SEMVUIUGNBIVAK-LLVKDONJSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001133849635 814307645 /nfs/dbraw/zinc/30/76/45/814307645.db2.gz BBAWOGSVLVCSSX-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001133849634 814308627 /nfs/dbraw/zinc/30/86/27/814308627.db2.gz BBAWOGSVLVCSSX-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845576 814308705 /nfs/dbraw/zinc/30/87/05/814308705.db2.gz IWSYTKNKRRBIPI-QWRGUYRKSA-N 2 0 270.377 -0.832 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CCn2cccn2)C1 ZINC001133845447 814309056 /nfs/dbraw/zinc/30/90/56/814309056.db2.gz GDIBUPAPZYTZBW-ZDUSSCGKSA-N 2 0 279.388 -0.069 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)N2CCC2)C1 ZINC001133853431 814310284 /nfs/dbraw/zinc/31/02/84/814310284.db2.gz IUPVVQMJPOIQCP-GFCCVEGCSA-N 2 0 282.388 -0.734 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001133853456 814310666 /nfs/dbraw/zinc/31/06/66/814310666.db2.gz KCJWQDLWGKNKFV-GFCCVEGCSA-N 2 0 296.415 -0.440 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133862052 814310782 /nfs/dbraw/zinc/31/07/82/814310782.db2.gz AJHLYIKVXDGELW-CHWSQXEVSA-N 2 0 287.404 -0.447 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001133862838 814310796 /nfs/dbraw/zinc/31/07/96/814310796.db2.gz GTTJWHZLJMLWBG-STQMWFEESA-N 2 0 296.415 -0.488 20 0 CBADRP COCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133863842 814310876 /nfs/dbraw/zinc/31/08/76/814310876.db2.gz PZJGWEGRBQMANO-VXGBXAGGSA-N 2 0 257.378 -0.074 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133862055 814311461 /nfs/dbraw/zinc/31/14/61/814311461.db2.gz AJHLYIKVXDGELW-OLZOCXBDSA-N 2 0 287.404 -0.447 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001133866715 814312674 /nfs/dbraw/zinc/31/26/74/814312674.db2.gz OBHOBONSQHPLIK-STQMWFEESA-N 2 0 296.415 -0.488 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133869279 814312997 /nfs/dbraw/zinc/31/29/97/814312997.db2.gz CIFXSGNEBGSRIS-QWHCGFSZSA-N 2 0 298.431 -0.243 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cnn(C)c1 ZINC001133867038 814313351 /nfs/dbraw/zinc/31/33/51/814313351.db2.gz QSDXUCMAVPVUTJ-DGCLKSJQSA-N 2 0 279.388 -0.176 20 0 CBADRP CCOCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133867274 814314537 /nfs/dbraw/zinc/31/45/37/814314537.db2.gz TUYMDENOYXLFAR-NEPJUHHUSA-N 2 0 257.378 -0.074 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cncn1C ZINC001133866726 814314849 /nfs/dbraw/zinc/31/48/49/814314849.db2.gz OFTIURDAXPZSOI-WCQYABFASA-N 2 0 279.388 -0.176 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001133864018 814315345 /nfs/dbraw/zinc/31/53/45/814315345.db2.gz SWRQQFSCPFXDBB-OCCSQVGLSA-N 2 0 293.415 -0.134 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001133866713 814315832 /nfs/dbraw/zinc/31/58/32/814315832.db2.gz OBHOBONSQHPLIK-OLZOCXBDSA-N 2 0 296.415 -0.488 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133869724 814317237 /nfs/dbraw/zinc/31/72/37/814317237.db2.gz KCMCXCFHBNYWOQ-CHWSQXEVSA-N 2 0 298.431 -0.242 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]CC(=O)N2CCC2)C1 ZINC001133873409 814318428 /nfs/dbraw/zinc/31/84/28/814318428.db2.gz YFSXVENDGGJTCV-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133870148 814318708 /nfs/dbraw/zinc/31/87/08/814318708.db2.gz QQJVFFQQVUNCPB-GHMZBOCLSA-N 2 0 270.377 -0.974 20 0 CBADRP C[N@H+](CC(=O)NCC[NH2+][C@H]1CCNC1=O)CC(C)(C)C ZINC001133899405 814319802 /nfs/dbraw/zinc/31/98/02/814319802.db2.gz GABLRUBPCKYTMC-NSHDSACASA-N 2 0 284.404 -0.441 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133896496 814320046 /nfs/dbraw/zinc/32/00/46/814320046.db2.gz LLCMJGKWZXMIRN-NSHDSACASA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1)C(=O)N(C)C ZINC001133896675 814320813 /nfs/dbraw/zinc/32/08/13/814320813.db2.gz NZRBIUDGKVJNNE-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP C[N@H+](CC(=O)NCC[NH2+][C@@H]1CCNC1=O)CC(C)(C)C ZINC001133899403 814321070 /nfs/dbraw/zinc/32/10/70/814321070.db2.gz GABLRUBPCKYTMC-LLVKDONJSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C)C(N)=O ZINC001133908052 814322346 /nfs/dbraw/zinc/32/23/46/814322346.db2.gz FRINXHMAAMUDOS-NSHDSACASA-N 2 0 286.420 -0.066 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133965738 814331645 /nfs/dbraw/zinc/33/16/45/814331645.db2.gz ICAUQDHDAZNTAC-NSHDSACASA-N 2 0 272.393 -0.441 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC(C)C)[NH+](C)C ZINC001133965950 814331355 /nfs/dbraw/zinc/33/13/55/814331355.db2.gz QSCAAPGFDBPUIV-LBPRGKRZSA-N 2 0 286.420 -0.195 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+][C@@H]1CCN(CC)C1=O)[NH+](C)C ZINC001133965811 814331952 /nfs/dbraw/zinc/33/19/52/814331952.db2.gz KQWPKKXJGJPOAX-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](COCC(=O)NCC[NH2+]CCCO)[NH+]1CCCC1 ZINC001134020960 814340384 /nfs/dbraw/zinc/34/03/84/814340384.db2.gz MHRWSDQFDVDSQF-CYBMUJFWSA-N 2 0 287.404 -0.425 20 0 CBADRP C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583635 814397497 /nfs/dbraw/zinc/39/74/97/814397497.db2.gz MRAFKHNWHQGKMR-WDEREUQCSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H](C(=O)NCC[NH2+][C@@H]1CCNC1=O)[NH+]1CCCCCC1 ZINC001134756619 814410687 /nfs/dbraw/zinc/41/06/87/814410687.db2.gz GYSJASKDIIUREU-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1)C(N)=O ZINC001134756444 814411549 /nfs/dbraw/zinc/41/15/49/814411549.db2.gz FBSDQTHRCDPRRJ-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1)C(N)=O ZINC001134756446 814411779 /nfs/dbraw/zinc/41/17/79/814411779.db2.gz FBSDQTHRCDPRRJ-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780588 814412839 /nfs/dbraw/zinc/41/28/39/814412839.db2.gz NCDJGILHPWITLK-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135102235 814437619 /nfs/dbraw/zinc/43/76/19/814437619.db2.gz AIYDYSRIVNPMEN-VXGBXAGGSA-N 2 0 255.362 -0.299 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135117952 814439923 /nfs/dbraw/zinc/43/99/23/814439923.db2.gz DZIQUQDPFSXKFM-LLVKDONJSA-N 2 0 283.376 -0.855 20 0 CBADRP C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298344 814460923 /nfs/dbraw/zinc/46/09/23/814460923.db2.gz LMHCRBUFHIWDQJ-GHMZBOCLSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1)C(N)=O ZINC001135334203 814461770 /nfs/dbraw/zinc/46/17/70/814461770.db2.gz LLFZRODQZDWIQG-NSHDSACASA-N 2 0 292.383 -0.059 20 0 CBADRP Cn1nncc1C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159916331 815604900 /nfs/dbraw/zinc/60/49/00/815604900.db2.gz QXVAFXYWCNMJBD-ZDUSSCGKSA-N 2 0 294.403 -0.249 20 0 CBADRP Cn1nncc1C[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997031 815605647 /nfs/dbraw/zinc/60/56/47/815605647.db2.gz BRRKHPAFMGTELW-UHFFFAOYSA-N 2 0 294.403 -0.105 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159992836 815605903 /nfs/dbraw/zinc/60/59/03/815605903.db2.gz QKVMBSGTNDIAJN-UHFFFAOYSA-N 2 0 270.377 -0.687 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997569 815605932 /nfs/dbraw/zinc/60/59/32/815605932.db2.gz SFFQLEQHFBNMMM-CYBMUJFWSA-N 2 0 287.404 -0.426 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135373655 814470959 /nfs/dbraw/zinc/47/09/59/814470959.db2.gz XUFUJDFIZMRZPQ-NWDGAFQWSA-N 2 0 286.420 -0.053 20 0 CBADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001159929716 815606754 /nfs/dbraw/zinc/60/67/54/815606754.db2.gz KEXKWAQBGRTAKP-XPABHHOTSA-N 2 0 292.427 -0.311 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997347 815606799 /nfs/dbraw/zinc/60/67/99/815606799.db2.gz MZWIEBPAHCAYIL-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP C[N@H+](CC(=O)NCCC[NH2+]CC(=O)NC1CC1)C1CCC1 ZINC001159997642 815607379 /nfs/dbraw/zinc/60/73/79/815607379.db2.gz WACQRVUZJPXWQN-UHFFFAOYSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001135508082 814478832 /nfs/dbraw/zinc/47/88/32/814478832.db2.gz FSUDSHDOHJRCTL-UHFFFAOYSA-N 2 0 294.399 -0.067 20 0 CBADRP CN1CC[C@H]([NH2+]CCCNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001160003503 815607901 /nfs/dbraw/zinc/60/79/01/815607901.db2.gz RPJRQGAGKPORFS-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1cnn(C)c1 ZINC001135508672 814479863 /nfs/dbraw/zinc/47/98/63/814479863.db2.gz VRJRISSJVLHGOV-UHFFFAOYSA-N 2 0 267.377 -0.032 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001135513044 814480705 /nfs/dbraw/zinc/48/07/05/814480705.db2.gz DQYAIYPKBPGEBV-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)NC(C)C ZINC001135510920 814481363 /nfs/dbraw/zinc/48/13/63/814481363.db2.gz IKYNXDAXLNOXCM-UHFFFAOYSA-N 2 0 272.393 -0.441 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CCN1CCCC1=O ZINC001135513702 814481612 /nfs/dbraw/zinc/48/16/12/814481612.db2.gz VGOVJPPRKWCVFT-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135511368 814481694 /nfs/dbraw/zinc/48/16/94/814481694.db2.gz OXUCGHOTDBGBJY-LBPRGKRZSA-N 2 0 286.420 -0.051 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C[NH+]1CCC(C)CC1)C(N)=O ZINC001135688147 814510362 /nfs/dbraw/zinc/51/03/62/814510362.db2.gz DHGQPWJBFPCCFV-LLVKDONJSA-N 2 0 270.377 -0.702 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)C[NH+]1CCC(C)CC1)C(N)=O ZINC001135702214 814511838 /nfs/dbraw/zinc/51/18/38/814511838.db2.gz BHVORWSBTFYZBU-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135703182 814512147 /nfs/dbraw/zinc/51/21/47/814512147.db2.gz ZOXMSARXKUZSCR-GFCCVEGCSA-N 2 0 284.404 -0.441 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135707118 814512774 /nfs/dbraw/zinc/51/27/74/814512774.db2.gz VRYGIZSDYYXVAF-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC ZINC001135743501 814517104 /nfs/dbraw/zinc/51/71/04/814517104.db2.gz LKTVFNNJOSHCDT-RYUDHWBXSA-N 2 0 286.420 -0.053 20 0 CBADRP C[C@H](C[C@H](C)[NH2+]CCCO)NC(=O)COCC[NH+](C)C ZINC001135922935 814539003 /nfs/dbraw/zinc/53/90/03/814539003.db2.gz DIKODHDQTNRVIS-QWHCGFSZSA-N 2 0 289.420 -0.180 20 0 CBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]CCF)CC1 ZINC001135958711 814541269 /nfs/dbraw/zinc/54/12/69/814541269.db2.gz DHXFRVDEODDHJJ-UHFFFAOYSA-N 2 0 261.341 -0.228 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)C[N@H+](C)C(C)C ZINC001142590348 814720328 /nfs/dbraw/zinc/72/03/28/814720328.db2.gz VCOMPFUZXXNUOK-UHFFFAOYSA-N 2 0 259.350 -0.323 20 0 CBADRP C[NH+]1CC(C(=O)n2ccc([C@H]3CCC[NH2+]3)nc2=N)C1 ZINC001142594218 814720441 /nfs/dbraw/zinc/72/04/41/814720441.db2.gz CFLDKMVQFKGQGU-SNVBAGLBSA-N 2 0 261.329 -0.011 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CCC(=O)N1 ZINC001143134485 814758996 /nfs/dbraw/zinc/75/89/96/814758996.db2.gz MAQXGXRJJMXAEX-SECBINFHSA-N 2 0 269.349 -0.671 20 0 CBADRP CN1CC[NH+](CCC(=O)N2CC[N@@H+]3CC[C@@H]3C2)CC1 ZINC001143230527 814762848 /nfs/dbraw/zinc/76/28/48/814762848.db2.gz BCNBMFFWTVNUAP-CYBMUJFWSA-N 2 0 266.389 -0.460 20 0 CBADRP CN(CC(=O)N(C(N)=[NH2+])c1ccccc1F)C(N)=[NH2+] ZINC001144142820 814773795 /nfs/dbraw/zinc/77/37/95/814773795.db2.gz MKPNRZAPOBOBRI-UHFFFAOYSA-N 2 0 266.280 -0.123 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H](O)c1ccc(O)cc1 ZINC001144607931 814777582 /nfs/dbraw/zinc/77/75/82/814777582.db2.gz MYNDGCNMADUNRY-NSHDSACASA-N 2 0 280.328 -0.113 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146384390 814837892 /nfs/dbraw/zinc/83/78/92/814837892.db2.gz QCLFPAWWBPXOBL-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146595038 814841386 /nfs/dbraw/zinc/84/13/86/814841386.db2.gz WORPSIKWQBGMCP-RYUDHWBXSA-N 2 0 286.420 -0.055 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001146718609 814844715 /nfs/dbraw/zinc/84/47/15/814844715.db2.gz DTIVASQBOFMIOH-UHFFFAOYSA-N 2 0 294.399 -0.067 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001146718913 814844967 /nfs/dbraw/zinc/84/49/67/814844967.db2.gz LAQFPBPRZWEEPL-UHFFFAOYSA-N 2 0 286.420 -0.051 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001146711868 814845002 /nfs/dbraw/zinc/84/50/02/814845002.db2.gz YEWHNAORNRFYFG-SNVBAGLBSA-N 2 0 258.366 -0.832 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1cnn(C)c1 ZINC001146718827 814845286 /nfs/dbraw/zinc/84/52/86/814845286.db2.gz GUKVEKDEXUFWNJ-UHFFFAOYSA-N 2 0 267.377 -0.032 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001146747263 814846634 /nfs/dbraw/zinc/84/66/34/814846634.db2.gz SRDDYBNSUXLADC-CYBMUJFWSA-N 2 0 297.403 -0.708 20 0 CBADRP COc1nn(C)cc1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001147024187 814868448 /nfs/dbraw/zinc/86/84/48/814868448.db2.gz JHPSXOIWAQSZCW-UHFFFAOYSA-N 2 0 268.321 -0.497 20 0 CBADRP C[NH+](C)[C@](C)(C(=O)NCC[NH2+]CC(N)=O)c1ccccc1 ZINC001147409731 814892156 /nfs/dbraw/zinc/89/21/56/814892156.db2.gz HTHJLKTWYXUDGO-HNNXBMFYSA-N 2 0 292.383 -0.346 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccc(=O)oc1 ZINC001147595275 814902894 /nfs/dbraw/zinc/90/28/94/814902894.db2.gz KKDAHFMYDFFMOV-UHFFFAOYSA-N 2 0 252.274 -0.286 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1c[nH]c(=O)cn1 ZINC001147632940 814906281 /nfs/dbraw/zinc/90/62/81/814906281.db2.gz IYVZYMAXUDQISW-UHFFFAOYSA-N 2 0 280.332 -0.553 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147826282 814917402 /nfs/dbraw/zinc/91/74/02/814917402.db2.gz UVFYJOCCELDYPD-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[NH2+]CCO)C1 ZINC001147834774 814918286 /nfs/dbraw/zinc/91/82/86/814918286.db2.gz MJGVSTYQXLQNEF-RYUDHWBXSA-N 2 0 257.378 -0.195 20 0 CBADRP Cn1cc(C[NH2+]CCNC(=O)COCC[NH+](C)C)cn1 ZINC001147841295 814918828 /nfs/dbraw/zinc/91/88/28/814918828.db2.gz DIEOATXVIJKIQU-UHFFFAOYSA-N 2 0 283.376 -0.796 20 0 CBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1cccnc1 ZINC001147842288 814919221 /nfs/dbraw/zinc/91/92/21/814919221.db2.gz PXCDRWVEKYNVKI-UHFFFAOYSA-N 2 0 280.372 -0.134 20 0 CBADRP C[C@@H]1CC[C@@H](C[NH2+]CCNC(=O)COCC[NH+](C)C)O1 ZINC001147848871 814920328 /nfs/dbraw/zinc/92/03/28/814920328.db2.gz YAGFXBUWEUVBBP-OLZOCXBDSA-N 2 0 287.404 -0.162 20 0 CBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CCOC1CCC1 ZINC001147848516 814920702 /nfs/dbraw/zinc/92/07/02/814920702.db2.gz OFRXRPHVEZAYSD-UHFFFAOYSA-N 2 0 287.404 -0.161 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CCS(C)(=O)=O)C1 ZINC001147877037 814920849 /nfs/dbraw/zinc/92/08/49/814920849.db2.gz CXZCFUXOAOWPMV-LLVKDONJSA-N 2 0 291.417 -0.921 20 0 CBADRP C[C@H]1CC[C@@H](C[NH2+]CCNC(=O)COCC[NH+](C)C)O1 ZINC001147848874 814921244 /nfs/dbraw/zinc/92/12/44/814921244.db2.gz YAGFXBUWEUVBBP-STQMWFEESA-N 2 0 287.404 -0.162 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147877152 814921978 /nfs/dbraw/zinc/92/19/78/814921978.db2.gz DJKQBXKYMWPUPY-GFCCVEGCSA-N 2 0 284.404 -0.441 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)N2CCC2)C1 ZINC001147878417 814922057 /nfs/dbraw/zinc/92/20/57/814922057.db2.gz YHENBTKZQLCHGG-GFCCVEGCSA-N 2 0 282.388 -0.734 20 0 CBADRP CN1CCC[C@@H]([NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001147884254 814922195 /nfs/dbraw/zinc/92/21/95/814922195.db2.gz CJTBARSMYXUARX-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CCCCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147878109 814922957 /nfs/dbraw/zinc/92/29/57/814922957.db2.gz SACDTHULBIAPDU-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC[C@@H]1CCOC1 ZINC001147884898 814923096 /nfs/dbraw/zinc/92/30/96/814923096.db2.gz HOQSTWDVQNNNGS-CYBMUJFWSA-N 2 0 287.404 -0.303 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147886368 814923768 /nfs/dbraw/zinc/92/37/68/814923768.db2.gz VKAIJXOEBOXIJZ-QWRGUYRKSA-N 2 0 270.377 -0.832 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@H]1Nc1ccc(OC2CC[NH2+]CC2)nn1 ZINC001159684182 815589351 /nfs/dbraw/zinc/58/93/51/815589351.db2.gz ZPNNETGIMIBIEU-CMPLNLGQSA-N 2 0 293.371 -0.400 20 0 CBADRP CC[C@]([NH3+])(CO)Nc1ncnc2c1CC[NH2+]CC2 ZINC001159739610 815590362 /nfs/dbraw/zinc/59/03/62/815590362.db2.gz JQWXDSWSSKMLES-GFCCVEGCSA-N 2 0 251.334 -0.366 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncc2c(n1)CC[NH2+]C2 ZINC001159750488 815593807 /nfs/dbraw/zinc/59/38/07/815593807.db2.gz LGFPXVBBDMHZRC-ZYHUDNBSSA-N 2 0 291.355 -0.315 20 0 CBADRP COCCN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)C1CC[NH+](C)CC1 ZINC001160441273 815622016 /nfs/dbraw/zinc/62/20/16/815622016.db2.gz WBKRRMYCTVRFGE-CHWSQXEVSA-N 2 0 285.388 -0.864 20 0 CBADRP COCCN(C(=O)C[C@@H](O)C[NH3+])C1CC[NH+](C)CC1 ZINC001160441037 815622390 /nfs/dbraw/zinc/62/23/90/815622390.db2.gz UDBVBHQDNJSXHE-GFCCVEGCSA-N 2 0 273.377 -0.735 20 0 CBADRP COCCN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)C1CC[NH+](C)CC1 ZINC001160439824 815622763 /nfs/dbraw/zinc/62/27/63/815622763.db2.gz NTBUALFONPEXCQ-STQMWFEESA-N 2 0 285.388 -0.722 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001160453952 815623598 /nfs/dbraw/zinc/62/35/98/815623598.db2.gz HFDBLTTWQUAMPP-ZDUSSCGKSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160451520 815623617 /nfs/dbraw/zinc/62/36/17/815623617.db2.gz QBMAIPUSKFMTFI-MNOVXSKESA-N 2 0 280.372 -0.793 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160453884 815623680 /nfs/dbraw/zinc/62/36/80/815623680.db2.gz DVSKULVLPGSPGA-ZDUSSCGKSA-N 3 0 280.416 -0.404 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001160453938 815623749 /nfs/dbraw/zinc/62/37/49/815623749.db2.gz GWPKTTWLBKWPES-RYUDHWBXSA-N 2 0 254.378 -0.667 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CCC([NH3+])CC1 ZINC001160503834 815630993 /nfs/dbraw/zinc/63/09/93/815630993.db2.gz HGZPIBCNWSHIQI-NSHDSACASA-N 2 0 251.334 -0.760 20 0 CBADRP C[NH2+][C@@H]1CCCN(CC(=O)N2CCC([NH3+])CC2)C1 ZINC001160515807 815632747 /nfs/dbraw/zinc/63/27/47/815632747.db2.gz VJAWXPYWOALOMM-GFCCVEGCSA-N 2 0 254.378 -0.380 20 0 CBADRP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC001160515514 815633149 /nfs/dbraw/zinc/63/31/49/815633149.db2.gz KKIRKLNMXXZWOC-QWRGUYRKSA-N 2 0 255.318 -0.913 20 0 CBADRP [NH3+]C[C@@]1(Nc2cc(C3C[NH2+]C3)ncn2)CN2CCC1CC2 ZINC001160516802 815633365 /nfs/dbraw/zinc/63/33/65/815633365.db2.gz JYADUACXJZEEBF-OAHLLOKOSA-N 3 0 288.399 -0.002 20 0 CBADRP CN(CC1(C)COC1)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160548669 815635528 /nfs/dbraw/zinc/63/55/28/815635528.db2.gz HTKYGTAMQVHHHY-VIFPVBQESA-N 2 0 261.391 -0.500 20 0 CBADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001160539634 815635638 /nfs/dbraw/zinc/63/56/38/815635638.db2.gz ZBNCLHGNMBFQBS-ATZCPNFKSA-N 2 0 277.328 -0.992 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCCC12COC2 ZINC001160542386 815635724 /nfs/dbraw/zinc/63/57/24/815635724.db2.gz VHDUYPRKIBASGD-VIFPVBQESA-N 2 0 259.375 -0.603 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCCC12COC2 ZINC001160541606 815635936 /nfs/dbraw/zinc/63/59/36/815635936.db2.gz DQSAZKBZHRBIPI-LBPRGKRZSA-N 2 0 282.388 -0.872 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCCC12COC2 ZINC001160541605 815636051 /nfs/dbraw/zinc/63/60/51/815636051.db2.gz DQSAZKBZHRBIPI-GFCCVEGCSA-N 2 0 282.388 -0.872 20 0 CBADRP Cn1cc2c(n1)CCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001160556741 815637226 /nfs/dbraw/zinc/63/72/26/815637226.db2.gz AUVQTCPIEQEAAM-CYBMUJFWSA-N 2 0 277.372 -0.368 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1Cc2cnn(C)c2C1 ZINC001160565762 815638910 /nfs/dbraw/zinc/63/89/10/815638910.db2.gz VEYKCWNDYMBQBD-NSHDSACASA-N 2 0 265.361 -0.021 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCN(c2cccnn2)CC1 ZINC001160571209 815638947 /nfs/dbraw/zinc/63/89/47/815638947.db2.gz RFJPIMUQZKPCLO-LLVKDONJSA-N 2 0 278.360 -0.809 20 0 CBADRP CC(C)(C)[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001160577393 815640059 /nfs/dbraw/zinc/64/00/59/815640059.db2.gz KREFDXUHGWCYJM-WFASDCNBSA-N 2 0 280.416 -0.119 20 0 CBADRP CC(C)(C)[NH+]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001160577391 815640150 /nfs/dbraw/zinc/64/01/50/815640150.db2.gz KREFDXUHGWCYJM-SWLSCSKDSA-N 2 0 280.416 -0.119 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CCC(=O)O2)CC1 ZINC001160576101 815640350 /nfs/dbraw/zinc/64/03/50/815640350.db2.gz PAARFDWZIBLWEM-LLVKDONJSA-N 2 0 293.367 -0.506 20 0 CBADRP CCOC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160583426 815641633 /nfs/dbraw/zinc/64/16/33/815641633.db2.gz XXUBGAAMNVECQT-RYUDHWBXSA-N 2 0 295.383 -0.260 20 0 CBADRP CCOC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCO1 ZINC001160596180 815643026 /nfs/dbraw/zinc/64/30/26/815643026.db2.gz LFEHALXKQDRFHG-RYUDHWBXSA-N 2 0 299.371 -0.896 20 0 CBADRP CCOC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CCO1 ZINC001160597110 815643929 /nfs/dbraw/zinc/64/39/29/815643929.db2.gz ZIRLNRALLWDLSC-QWRGUYRKSA-N 2 0 287.360 -0.767 20 0 CBADRP CN(CC1COC1)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160644904 815650271 /nfs/dbraw/zinc/65/02/71/815650271.db2.gz IYMVOZFZBSQHHH-DGCLKSJQSA-N 2 0 253.346 -0.710 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160643945 815650386 /nfs/dbraw/zinc/65/03/86/815650386.db2.gz QRMANWQECUMKBW-RYUDHWBXSA-N 3 0 272.393 -0.768 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC(C)([NH+](C)C)C1 ZINC001160646197 815650762 /nfs/dbraw/zinc/65/07/62/815650762.db2.gz WWNIMBYZEIBPAW-JQWIXIFHSA-N 2 0 284.404 -0.362 20 0 CBADRP C[NH+](C)C1(C)CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C1 ZINC001160644945 815650940 /nfs/dbraw/zinc/65/09/40/815650940.db2.gz KFJAZPCNOSPTTD-XYZCENFISA-N 2 0 261.391 -0.755 20 0 CBADRP C[NH+](C)C1(C)CN(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C1 ZINC001160644909 815651030 /nfs/dbraw/zinc/65/10/30/815651030.db2.gz JDJATWOZZYMHIQ-SDDRHHMPSA-N 2 0 267.373 -0.084 20 0 CBADRP CO[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001160647560 815652090 /nfs/dbraw/zinc/65/20/90/815652090.db2.gz NFQOZMCNCDFSPG-MNOVXSKESA-N 2 0 253.346 -0.567 20 0 CBADRP N[C@@H](C[NH3+])c1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001160656611 815652778 /nfs/dbraw/zinc/65/27/78/815652778.db2.gz ZIGJSHYKIVAART-FRRDWIJNSA-N 2 0 278.356 -0.821 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)C[NH2+]2)C[C@H]1O ZINC001160652584 815652915 /nfs/dbraw/zinc/65/29/15/815652915.db2.gz HIEJVOAMYDLUJW-ZYUZMQFOSA-N 2 0 295.305 -0.163 20 0 CBADRP CC(C)[C@@H]1COCCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160670362 815655606 /nfs/dbraw/zinc/65/56/06/815655606.db2.gz XYWDHZNOIQEHAR-QWRGUYRKSA-N 2 0 275.418 -0.111 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@]2(N)CC[NH2+]C2)CC1 ZINC001160670168 815656005 /nfs/dbraw/zinc/65/60/05/815656005.db2.gz UTCOEHAYZJDJGJ-OAHLLOKOSA-N 2 0 296.415 -0.610 20 0 CBADRP COC(CN(C)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)OC ZINC001160683502 815656753 /nfs/dbraw/zinc/65/67/53/815656753.db2.gz MXNPLNAGMPZYLL-ZWNOBZJWSA-N 2 0 271.361 -0.737 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001160687461 815657349 /nfs/dbraw/zinc/65/73/49/815657349.db2.gz DZYHSVRWTXNBFQ-CYBMUJFWSA-N 3 0 268.405 -0.133 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001160696573 815658288 /nfs/dbraw/zinc/65/82/88/815658288.db2.gz WZIDIJHENOAQEH-YPMHNXCESA-N 2 0 254.378 -0.475 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001160695487 815659204 /nfs/dbraw/zinc/65/92/04/815659204.db2.gz MQHFFMPDYPEXDG-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N(C)C[C@H]1CCC[NH2+]C1 ZINC001160695170 815659307 /nfs/dbraw/zinc/65/93/07/815659307.db2.gz IZPYXOFKRUHBJJ-QWRGUYRKSA-N 2 0 257.334 -0.665 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001160695099 815659326 /nfs/dbraw/zinc/65/93/26/815659326.db2.gz IIBNYCQCKMJDKQ-GHMZBOCLSA-N 2 0 285.392 -0.780 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160695442 815659330 /nfs/dbraw/zinc/65/93/30/815659330.db2.gz LNTQLHADBAHLJG-NEPJUHHUSA-N 3 0 256.394 -0.099 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001160695104 815659338 /nfs/dbraw/zinc/65/93/38/815659338.db2.gz ILVLCHRSSJSJTF-BYNQJWBRSA-N 2 0 266.389 -0.334 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160698661 815660649 /nfs/dbraw/zinc/66/06/49/815660649.db2.gz OHYPEDMBOBOSIE-OCCSQVGLSA-N 3 0 297.447 -0.805 20 0 CBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC001160699044 815660665 /nfs/dbraw/zinc/66/06/65/815660665.db2.gz YMNSIERBTQLHFF-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C[C@H]2C1 ZINC001160703838 815660781 /nfs/dbraw/zinc/66/07/81/815660781.db2.gz FTDMUUYEAJUKIT-XQQFMLRXSA-N 3 0 268.405 -0.147 20 0 CBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160698660 815660824 /nfs/dbraw/zinc/66/08/24/815660824.db2.gz OHYPEDMBOBOSIE-JSGCOSHPSA-N 3 0 297.447 -0.805 20 0 CBADRP O=C(N1CC[NH+]2CCC1CC2)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001160725529 815665557 /nfs/dbraw/zinc/66/55/57/815665557.db2.gz BUJHPSYYMVADAC-RISCZKNCSA-N 2 0 264.373 -0.756 20 0 CBADRP C[C@@H]1CO[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C[C@H]12 ZINC001160755942 815666670 /nfs/dbraw/zinc/66/66/70/815666670.db2.gz CYOVLJJNWUIVLM-FTQJZPFOSA-N 2 0 279.384 -0.321 20 0 CBADRP C[C@@H]1CO[C@@H]2CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@H]12 ZINC001160757198 815668393 /nfs/dbraw/zinc/66/83/93/815668393.db2.gz ZZCVONPMQLOXLI-CHWFTXMASA-N 2 0 273.402 -0.501 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160778773 815670028 /nfs/dbraw/zinc/67/00/28/815670028.db2.gz DCQJPNSVOJEOJO-YCPHGPKFSA-N 2 0 288.395 -0.338 20 0 CBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3CC[NH2+]3)C[C@H]1C2 ZINC001160792866 815673615 /nfs/dbraw/zinc/67/36/15/815673615.db2.gz YAUHVAWYRHTBRN-TVEHIPJCSA-N 2 0 293.367 -0.795 20 0 CBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3CC[NH2+]3)C[C@H]1C[NH2+]CC2 ZINC001160811689 815673629 /nfs/dbraw/zinc/67/36/29/815673629.db2.gz ULPOYHOEJZTQMX-UHIISALHSA-N 2 0 281.356 -0.651 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC001160840016 815676275 /nfs/dbraw/zinc/67/62/75/815676275.db2.gz TZQIMVKLYBJXSP-NWDGAFQWSA-N 2 0 271.361 -0.846 20 0 CBADRP C[C@@H]1CN(C)C[C@H](C(=O)NCCC[NH2+]C[C@@H]2CCOC2)O1 ZINC001160857334 815680274 /nfs/dbraw/zinc/68/02/74/815680274.db2.gz FLBLHDGAYIWLOC-HZSPNIEDSA-N 2 0 299.415 -0.162 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160862573 815682492 /nfs/dbraw/zinc/68/24/92/815682492.db2.gz RFAYXJBZKNDUDA-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160862571 815682863 /nfs/dbraw/zinc/68/28/63/815682863.db2.gz RFAYXJBZKNDUDA-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001160889335 815685635 /nfs/dbraw/zinc/68/56/35/815685635.db2.gz IVFLFZVRSBKMBR-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC1CC1)[NH+](C)C ZINC001160883828 815685751 /nfs/dbraw/zinc/68/57/51/815685751.db2.gz WBCNBYQIBJTKDE-GFCCVEGCSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001160883621 815685871 /nfs/dbraw/zinc/68/58/71/815685871.db2.gz QAOGDCASJCSCLV-SNVBAGLBSA-N 2 0 298.391 -0.956 20 0 CBADRP O=C([C@H]1CC[NH2+]C[C@H]1F)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915518 815686785 /nfs/dbraw/zinc/68/67/85/815686785.db2.gz BTOHDPWUXCZOPS-WDEREUQCSA-N 2 0 279.319 -0.271 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160967015 815691292 /nfs/dbraw/zinc/69/12/92/815691292.db2.gz IJMCDPJEEFLYFT-APPZFPTMSA-N 2 0 273.287 -0.526 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001160965093 815691733 /nfs/dbraw/zinc/69/17/33/815691733.db2.gz SSCUKCCBJUPYKJ-OSAQELSMSA-N 2 0 291.399 -0.300 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@]1(N)CC[NH2+]C1)C2 ZINC001160965200 815691787 /nfs/dbraw/zinc/69/17/87/815691787.db2.gz UOCLFOJCBAUDNB-RAIGVLPGSA-N 2 0 252.362 -0.913 20 0 CBADRP [NH3+][C@@H](C(=O)N1C[C@H]([NH3+])CC(F)(F)C1)C1CC[NH2+]CC1 ZINC001160970671 815692326 /nfs/dbraw/zinc/69/23/26/815692326.db2.gz AFZVHMGQCJZTPC-NXEZZACHSA-N 3 0 276.331 -0.492 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CC(F)(F)C1 ZINC001160969258 815692355 /nfs/dbraw/zinc/69/23/55/815692355.db2.gz ZAWKSZUSMJMGRM-QCLAVDOMSA-N 2 0 274.315 -0.869 20 0 CBADRP C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)CC2)CC1 ZINC001160993438 815692426 /nfs/dbraw/zinc/69/24/26/815692426.db2.gz QZHIMSUQSHBJIQ-CHWSQXEVSA-N 2 0 281.400 -0.099 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CC(F)(F)C1 ZINC001160974106 815693153 /nfs/dbraw/zinc/69/31/53/815693153.db2.gz YJDWZHDKNQYSFP-DTWKUNHWSA-N 2 0 263.288 -0.440 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)CNC2CC[NH2+]CC2)CC(F)(F)C1 ZINC001160968688 815693296 /nfs/dbraw/zinc/69/32/96/815693296.db2.gz UVSGMMVMSGGHAW-VIFPVBQESA-N 2 0 276.331 -0.477 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC(F)(F)C1 ZINC001160969306 815693386 /nfs/dbraw/zinc/69/33/86/815693386.db2.gz ZJPWLODCHIOOAX-CKYFFXLPSA-N 3 0 288.342 -0.620 20 0 CBADRP O=C([C@@H]1CCCC[NH2+]1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999301 815693450 /nfs/dbraw/zinc/69/34/50/815693450.db2.gz ATKIVEAVWFZYRI-NWDGAFQWSA-N 2 0 267.373 -0.156 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)CC(F)(F)C1 ZINC001160969278 815693507 /nfs/dbraw/zinc/69/35/07/815693507.db2.gz ZHWGNYGJMFUYDM-AUTRQRHGSA-N 2 0 274.315 -0.867 20 0 CBADRP O=C(C1CC2(C[NH2+]C2)C1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000269 815694238 /nfs/dbraw/zinc/69/42/38/815694238.db2.gz QPIRMODLYNFXMJ-GFCCVEGCSA-N 2 0 279.384 -0.299 20 0 CBADRP CC(C)OC1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161010648 815694328 /nfs/dbraw/zinc/69/43/28/815694328.db2.gz YLLNULGZKOWZSO-CYBMUJFWSA-N 2 0 284.404 -0.627 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001668 815694391 /nfs/dbraw/zinc/69/43/91/815694391.db2.gz ZEXHSDWAAXJFPH-RYUDHWBXSA-N 3 0 284.404 -0.842 20 0 CBADRP C[C@@]1(C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)CCC[NH2+]1 ZINC001161000132 815695082 /nfs/dbraw/zinc/69/50/82/815695082.db2.gz QBINQKJMNACRKM-AAEUAGOBSA-N 2 0 267.373 -0.156 20 0 CBADRP C[C@@H]1CN(C(=O)CN(C)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001161017577 815696066 /nfs/dbraw/zinc/69/60/66/815696066.db2.gz QZZHWFOAJFBRHV-VXGBXAGGSA-N 2 0 254.378 -0.510 20 0 CBADRP CC(C)[NH+]1CCN(CC(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC001161016292 815696085 /nfs/dbraw/zinc/69/60/85/815696085.db2.gz WBCCJZRFIQQJCL-CYBMUJFWSA-N 2 0 268.405 -0.167 20 0 CBADRP O=C1CNCCN1CCNc1nccc(NC2CC2)n1 ZINC001161018683 815696387 /nfs/dbraw/zinc/69/63/87/815696387.db2.gz DRCDAKBSRITCIM-UHFFFAOYSA-N 2 0 276.344 -0.105 20 0 CBADRP C[C@@H]1CN(C(=O)C2CCN([C@H]3CC[NH2+]C3)CC2)CC[NH2+]1 ZINC001161017760 815696637 /nfs/dbraw/zinc/69/66/37/815696637.db2.gz YBFAQFPPAMOPPV-OCCSQVGLSA-N 2 0 280.416 -0.119 20 0 CBADRP C[C@@H]1CN(C(=O)CN(C)[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001161017576 815696712 /nfs/dbraw/zinc/69/67/12/815696712.db2.gz QZZHWFOAJFBRHV-NEPJUHHUSA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2COC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC001161016236 815696766 /nfs/dbraw/zinc/69/67/66/815696766.db2.gz UNVRSCGTMDOBHE-NEPJUHHUSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H]1CN(C(=O)c2cnc(N3CC[NH2+]CC3)cn2)CC[NH2+]1 ZINC001161022051 815698135 /nfs/dbraw/zinc/69/81/35/815698135.db2.gz GJOTYBBBHPRJDQ-LLVKDONJSA-N 2 0 290.371 -0.680 20 0 CBADRP Cn1nnnc1C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161033837 815702137 /nfs/dbraw/zinc/70/21/37/815702137.db2.gz ZZDKNUCNCPGPII-LLVKDONJSA-N 2 0 295.391 -0.710 20 0 CBADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@]2(N)CC[NH2+]C2)C1 ZINC001161050055 815702757 /nfs/dbraw/zinc/70/27/57/815702757.db2.gz KIONQWBNVPHWEZ-DGCLKSJQSA-N 2 0 254.378 -0.382 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001161041077 815702962 /nfs/dbraw/zinc/70/29/62/815702962.db2.gz FJDKEZZDDGYIOU-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161043162 815703331 /nfs/dbraw/zinc/70/33/31/815703331.db2.gz YOCZKJODTXCIKE-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001161050139 815703373 /nfs/dbraw/zinc/70/33/73/815703373.db2.gz LVFRXIBHBZTVHL-XDQVBPFNSA-N 2 0 280.416 -0.123 20 0 CBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161062524 815704885 /nfs/dbraw/zinc/70/48/85/815704885.db2.gz KSOUIQBLYCLBSN-UMSGYPCISA-N 2 0 283.372 -0.134 20 0 CBADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)C1 ZINC001161050808 815705014 /nfs/dbraw/zinc/70/50/14/815705014.db2.gz POUBEOBEEORIAW-SRVKXCTJSA-N 2 0 255.362 -0.350 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCCO ZINC001161052187 815705293 /nfs/dbraw/zinc/70/52/93/815705293.db2.gz IRLPSYRONBXGAJ-GFCCVEGCSA-N 2 0 257.378 -0.051 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[C@H]([N@@H+](C)C(C)C)C1 ZINC001161051392 815705533 /nfs/dbraw/zinc/70/55/33/815705533.db2.gz UWNJIYHRVYCIFZ-RYUDHWBXSA-N 2 0 271.361 -0.182 20 0 CBADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H]2[NH2+]CC[C@H]2O)C1 ZINC001161050809 815705555 /nfs/dbraw/zinc/70/55/55/815705555.db2.gz POUBEOBEEORIAW-TUAOUCFPSA-N 2 0 255.362 -0.350 20 0 CBADRP CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161057794 815705776 /nfs/dbraw/zinc/70/57/76/815705776.db2.gz GLCNTAOZLPGNFR-MNXVOIDGSA-N 2 0 267.373 -0.049 20 0 CBADRP CN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC001161052921 815705993 /nfs/dbraw/zinc/70/59/93/815705993.db2.gz PFTIFLQRUNCOKZ-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C1(C)CC[NH2+]CC1 ZINC001161067611 815707334 /nfs/dbraw/zinc/70/73/34/815707334.db2.gz KDOHRHVNXJDYCY-LLVKDONJSA-N 3 0 266.389 -0.604 20 0 CBADRP CCOC(=O)C1(C(=O)N(C)[C@H]2CCCC[C@H]2[NH3+])C[NH2+]C1 ZINC001161064505 815707614 /nfs/dbraw/zinc/70/76/14/815707614.db2.gz QFJUBOCVLKXQEG-MNOVXSKESA-N 2 0 283.372 -0.133 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C[C@@H]21 ZINC001161081222 815708723 /nfs/dbraw/zinc/70/87/23/815708723.db2.gz HNKNBYPAOQJPMN-HGTKMLMNSA-N 3 0 292.427 -0.262 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)CNC3CC[NH2+]CC3)C[C@H]21 ZINC001161081240 815709649 /nfs/dbraw/zinc/70/96/49/815709649.db2.gz HYRSRIUNPUSBMU-GXTWGEPZSA-N 2 0 280.416 -0.119 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]21 ZINC001161081139 815709763 /nfs/dbraw/zinc/70/97/63/815709763.db2.gz FVQMJSDBJACPQN-AGIUHOORSA-N 3 0 268.405 -0.005 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)C[C@@H]21 ZINC001161081026 815709792 /nfs/dbraw/zinc/70/97/92/815709792.db2.gz CJYBHJABNMPZCX-BJDJZHNGSA-N 2 0 252.362 -0.914 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)C[C@@H]21 ZINC001161081418 815710113 /nfs/dbraw/zinc/71/01/13/815710113.db2.gz JOIWSQSUSRNVCF-WISYIIOYSA-N 2 0 253.346 -0.881 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)C[C@H]21 ZINC001161081088 815710174 /nfs/dbraw/zinc/71/01/74/815710174.db2.gz DOKHGLARICGYSR-WISYIIOYSA-N 2 0 252.362 -0.772 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)C[C@@H]21 ZINC001161081631 815710321 /nfs/dbraw/zinc/71/03/21/815710321.db2.gz LDKYGKXGRXBHBC-HZSPNIEDSA-N 3 0 280.416 -0.134 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@H]21 ZINC001161081143 815710367 /nfs/dbraw/zinc/71/03/67/815710367.db2.gz FWIPDHPDIRJVLP-CHWSQXEVSA-N 2 0 266.389 -0.556 20 0 CBADRP Nc1cccc(NCCN(CC[NH3+])N(O)N=O)[nH+]1 ZINC001161086834 815711018 /nfs/dbraw/zinc/71/10/18/815711018.db2.gz DPWYJTCKWGRYTP-UHFFFAOYSA-N 2 0 255.282 -0.376 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[NH2+]CCN3)C[C@H]21 ZINC001161082917 815711933 /nfs/dbraw/zinc/71/19/33/815711933.db2.gz QPUSVXYMHWUMBZ-SDDRHHMPSA-N 2 0 252.362 -0.900 20 0 CBADRP COC(=O)[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCC[NH3+])[C@@H]1C ZINC001161117494 815717740 /nfs/dbraw/zinc/71/77/40/815717740.db2.gz LROHSQPDGQIOSY-GMTAPVOTSA-N 2 0 271.361 -0.147 20 0 CBADRP CC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001161131080 815718890 /nfs/dbraw/zinc/71/88/90/815718890.db2.gz NQEXJPQYALGXKC-NEPJUHHUSA-N 2 0 270.377 -0.478 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCc2[nH]ccc2C1 ZINC001161134698 815719127 /nfs/dbraw/zinc/71/91/27/815719127.db2.gz IZWNOXBDZRJPFQ-JTQLQIEISA-N 2 0 268.386 -0.081 20 0 CBADRP CO[C@@H](C)C1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161146118 815721896 /nfs/dbraw/zinc/72/18/96/815721896.db2.gz MRYXKKYGSPYVKD-ONGXEEELSA-N 2 0 253.346 -0.711 20 0 CBADRP CO[C@@H](C)C1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161146115 815722091 /nfs/dbraw/zinc/72/20/91/815722091.db2.gz MRYXKKYGSPYVKD-GXSJLCMTSA-N 2 0 253.346 -0.711 20 0 CBADRP CO[C@@H](C)C1CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161145733 815722341 /nfs/dbraw/zinc/72/23/41/815722341.db2.gz HUKPGJQDWLXEDZ-CABZTGNLSA-N 2 0 255.362 -0.193 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1[NH2+]C[C@H]2[C@@H]1C2(C)C ZINC001161157381 815723102 /nfs/dbraw/zinc/72/31/02/815723102.db2.gz CFYGBDXDXCUNBN-DRZSPHRISA-N 2 0 297.399 -0.029 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1COC(C)(C)[NH2+]1 ZINC001161158103 815723577 /nfs/dbraw/zinc/72/35/77/815723577.db2.gz PNHXTZLZHMKLDL-JTQLQIEISA-N 2 0 287.360 -0.549 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)[C@]3(N)CCC[NH2+]C3)C[C@H]2C1 ZINC001161174712 815724192 /nfs/dbraw/zinc/72/41/92/815724192.db2.gz CZYZAPYCYLWJDS-GUTXKFCHSA-N 2 0 280.416 -0.133 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)C[C@H]2C1 ZINC001161175302 815724245 /nfs/dbraw/zinc/72/42/45/815724245.db2.gz KQRLZLCSCIWZRL-SBJFKYEJSA-N 2 0 292.427 -0.264 20 0 CBADRP CC(C)(O)CC[NH+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001161174924 815724355 /nfs/dbraw/zinc/72/43/55/815724355.db2.gz GYXXHXUWNRJOOD-ITGUQSILSA-N 2 0 281.400 -0.243 20 0 CBADRP C[NH2+]CCC(=O)N1CC[NH+](CCC(C)(C)O)CC1 ZINC001161174907 815724642 /nfs/dbraw/zinc/72/46/42/815724642.db2.gz GHGHCHPNMSGOFY-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP C[N@@H+]1C[C@@H](C(=O)N2CCC(O)CC2)OC2(CC[NH2+]CC2)C1 ZINC001161178449 815726250 /nfs/dbraw/zinc/72/62/50/815726250.db2.gz PPTUMDXBUMDZBP-ZDUSSCGKSA-N 2 0 297.399 -0.578 20 0 CBADRP CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@@H]2C1 ZINC001161176380 815726308 /nfs/dbraw/zinc/72/63/08/815726308.db2.gz TZUHTJQEJDBNCX-CYDGBPFRSA-N 2 0 267.373 -0.491 20 0 CBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCC(O)CC1 ZINC001161178430 815726607 /nfs/dbraw/zinc/72/66/07/815726607.db2.gz OVLLCWCECWBQLB-LBPRGKRZSA-N 2 0 267.373 -0.156 20 0 CBADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161210072 815727783 /nfs/dbraw/zinc/72/77/83/815727783.db2.gz KUZMZDQUFNSRMC-KBPBESRZSA-N 2 0 281.400 -0.053 20 0 CBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161204891 815727900 /nfs/dbraw/zinc/72/79/00/815727900.db2.gz FLEVOUPVHBILGQ-ZIAGYGMSSA-N 2 0 281.400 -0.053 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])CCC[NH3+])[C@@H]1CCC2(C1)OCCO2 ZINC001161219369 815728727 /nfs/dbraw/zinc/72/87/27/815728727.db2.gz PMBOTIBYJXVRBV-MNOVXSKESA-N 2 0 271.361 -0.193 20 0 CBADRP C[C@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C[C@H](C)[NH2+]1 ZINC001161229786 815729670 /nfs/dbraw/zinc/72/96/70/815729670.db2.gz VYBVRNAKEYJORO-MEWQQHAOSA-N 2 0 252.362 -0.853 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001161226578 815730077 /nfs/dbraw/zinc/73/00/77/815730077.db2.gz JMOFQSWVKQAMBI-SNVBAGLBSA-N 2 0 272.393 -0.314 20 0 CBADRP C[C@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C[C@H](C)[NH2+]1 ZINC001161229787 815730448 /nfs/dbraw/zinc/73/04/48/815730448.db2.gz VYBVRNAKEYJORO-MRBYEJRBSA-N 2 0 252.362 -0.853 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001161229250 815730572 /nfs/dbraw/zinc/73/05/72/815730572.db2.gz GRYUTYYYITZFQT-SRVKXCTJSA-N 3 0 256.394 -0.088 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC001161235257 815732162 /nfs/dbraw/zinc/73/21/62/815732162.db2.gz PBEDEIAPXXBJKZ-MNOVXSKESA-N 2 0 298.416 -0.539 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161245903 815733375 /nfs/dbraw/zinc/73/33/75/815733375.db2.gz HKQKJUXDYFDIJC-WCQYABFASA-N 3 0 274.384 -0.055 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161239897 815733436 /nfs/dbraw/zinc/73/34/36/815733436.db2.gz TVVWBBJJSBHGLO-JQWIXIFHSA-N 3 0 260.357 -0.397 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161239896 815734159 /nfs/dbraw/zinc/73/41/59/815734159.db2.gz TVVWBBJJSBHGLO-CMPLNLGQSA-N 3 0 260.357 -0.397 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161246635 815734528 /nfs/dbraw/zinc/73/45/28/815734528.db2.gz NFXZOMYNLAVGDK-LLVKDONJSA-N 2 0 259.329 -0.461 20 0 CBADRP [NH3+]C[C@]1(F)CCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC001161246661 815734552 /nfs/dbraw/zinc/73/45/52/815734552.db2.gz NJLYTUAXSDOUKA-GXFFZTMASA-N 2 0 286.351 -0.775 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC001161270664 815735075 /nfs/dbraw/zinc/73/50/75/815735075.db2.gz PRBXZTAFPWYJBY-OLZOCXBDSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(=O)N[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001161270690 815737174 /nfs/dbraw/zinc/73/71/74/815737174.db2.gz QASARPLOFIHEFB-UMVBOHGHSA-N 2 0 294.399 -0.687 20 0 CBADRP Cc1ccnc(N2CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2)n1 ZINC001161298599 815738089 /nfs/dbraw/zinc/73/80/89/815738089.db2.gz NKMWAXUQLZTFHA-GFCCVEGCSA-N 2 0 292.387 -0.500 20 0 CBADRP Cc1c[nH+]ccc1N1CCN(C(=O)CNCC[NH3+])CC1 ZINC001161306270 815738371 /nfs/dbraw/zinc/73/83/71/815738371.db2.gz JAYLNYSDJNZNAD-UHFFFAOYSA-N 2 0 277.372 -0.413 20 0 CBADRP CCN(C(=O)[C@@H]([NH3+])COC(C)=O)[C@H]1CCC[NH2+]C1 ZINC001161332083 815741091 /nfs/dbraw/zinc/74/10/91/815741091.db2.gz KDZBKBKBYHBKIV-QWRGUYRKSA-N 2 0 257.334 -0.523 20 0 CBADRP CCN(C(=O)[C@@]1(N)CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001161329467 815741204 /nfs/dbraw/zinc/74/12/04/815741204.db2.gz CVGXCSOZSVWOIJ-WCQYABFASA-N 2 0 254.378 -0.332 20 0 CBADRP CCN(C(=O)/C=C/C(=O)NCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161332196 815741540 /nfs/dbraw/zinc/74/15/40/815741540.db2.gz LYDUEWYAYGXLMA-MVIFTORASA-N 2 0 268.361 -0.782 20 0 CBADRP CCN(C(=O)C1(O)CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001161329782 815741858 /nfs/dbraw/zinc/74/18/58/815741858.db2.gz CHKVRXNCKRIMFK-LLVKDONJSA-N 2 0 255.362 -0.299 20 0 CBADRP CCN(C(=O)[C@@H]1C[NH2+]CCCO1)[C@@H]1CCC[NH2+]C1 ZINC001161332830 815742429 /nfs/dbraw/zinc/74/24/29/815742429.db2.gz PUACGEUYSFLMRW-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)[C@@H]1CCC[NH2+]C1 ZINC001161333603 815743359 /nfs/dbraw/zinc/74/33/59/815743359.db2.gz VIPCCAQDXKXNTG-GHMZBOCLSA-N 2 0 285.392 -0.637 20 0 CBADRP CC(C)N(C(=O)CNC1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001161351203 815745527 /nfs/dbraw/zinc/74/55/27/815745527.db2.gz GXNYUPYACDMZLZ-ZDUSSCGKSA-N 2 0 268.405 -0.073 20 0 CBADRP CC(C)N(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC001161352391 815746006 /nfs/dbraw/zinc/74/60/06/815746006.db2.gz VRAQCEWYGWSDRC-RYUDHWBXSA-N 3 0 266.389 -0.606 20 0 CBADRP CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)[C@H]1CCC[NH2+]C1 ZINC001161340654 815746094 /nfs/dbraw/zinc/74/60/94/815746094.db2.gz RVVRWDAXSQIRJZ-LDLUMPKVSA-N 2 0 275.418 -0.317 20 0 CBADRP CCN(C(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161339087 815746225 /nfs/dbraw/zinc/74/62/25/815746225.db2.gz IYPZMMYZKGOEKZ-AVGNSLFASA-N 2 0 296.415 -0.075 20 0 CBADRP CC(C)N(C(=O)[C@]12C[NH2+]C[C@@H]1CCN2)[C@H]1CC[NH2+]C1 ZINC001161350669 815746459 /nfs/dbraw/zinc/74/64/59/815746459.db2.gz AZEODHMWLPQJCJ-OBJOEFQTSA-N 2 0 266.389 -0.463 20 0 CBADRP CC(C)N(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001161353790 815747650 /nfs/dbraw/zinc/74/76/50/815747650.db2.gz ZSRPOISLACLHPQ-STQMWFEESA-N 3 0 268.405 -0.088 20 0 CBADRP N[C@@]1(C(=O)N2CC[C@@H](N3CCC([NH3+])CC3)C2)CCC[NH2+]C1 ZINC001161378240 815748256 /nfs/dbraw/zinc/74/82/56/815748256.db2.gz KXMLBCBSZADGNG-HIFRSBDPSA-N 2 0 295.431 -0.909 20 0 CBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161380461 815749288 /nfs/dbraw/zinc/74/92/88/815749288.db2.gz KKTYYWHOQCXZIV-FRRDWIJNSA-N 2 0 283.372 -0.968 20 0 CBADRP NC1(C(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)CC[NH2+]CC1 ZINC001161389239 815749802 /nfs/dbraw/zinc/74/98/02/815749802.db2.gz PPVAMLNBTVADCS-ZDUSSCGKSA-N 2 0 296.415 -0.610 20 0 CBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)C[C@H]12 ZINC001161413249 815751958 /nfs/dbraw/zinc/75/19/58/815751958.db2.gz ODAXUXCSXHHVAB-LVTVNPDKSA-N 2 0 264.373 -0.868 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)C[C@@H]12 ZINC001161413250 815752092 /nfs/dbraw/zinc/75/20/92/815752092.db2.gz ODAXUXCSXHHVAB-QRNINRFLSA-N 2 0 264.373 -0.868 20 0 CBADRP [NH3+][C@@H](C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1)C1CC[NH2+]CC1 ZINC001161411856 815752102 /nfs/dbraw/zinc/75/21/02/815752102.db2.gz BPIIGZQDTZEXJL-FDYHWXHSSA-N 3 0 266.389 -0.491 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161414462 815752747 /nfs/dbraw/zinc/75/27/47/815752747.db2.gz XCSUHAPZMXZPOV-ZDCRXTMVSA-N 3 0 272.418 -0.799 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161414703 815753081 /nfs/dbraw/zinc/75/30/81/815753081.db2.gz YQTNYGFXWPQFRA-VLEAKVRGSA-N 2 0 255.318 -0.928 20 0 CBADRP N=c1ncc(C[NH3+])cn1-c1nc(Cl)nc2c1CC[NH2+]C2 ZINC001161415041 815753147 /nfs/dbraw/zinc/75/31/47/815753147.db2.gz LZLBOVMQLSCVKM-UHFFFAOYSA-N 2 0 291.746 -0.100 20 0 CBADRP O=C([C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161424063 815753675 /nfs/dbraw/zinc/75/36/75/815753675.db2.gz XTQGALGCUVHSDF-KFWWJZLASA-N 2 0 292.427 -0.023 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[N@@H+]2CC[C@H]2C1)C1CCC(O)CC1 ZINC001161423988 815753823 /nfs/dbraw/zinc/75/38/23/815753823.db2.gz VIRFINYSWQDXGF-MVKMKZAISA-N 2 0 267.373 -0.219 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[N@@H+]2CC[C@@H]2C1)C1CCC(O)CC1 ZINC001161423987 815753988 /nfs/dbraw/zinc/75/39/88/815753988.db2.gz VIRFINYSWQDXGF-KPFVRQRISA-N 2 0 267.373 -0.219 20 0 CBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161422078 815754222 /nfs/dbraw/zinc/75/42/22/815754222.db2.gz ZFRYWAIUGHNZNN-STQMWFEESA-N 3 0 278.400 -0.223 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC(=O)NC2(CCCC2)C1 ZINC001161417906 815754587 /nfs/dbraw/zinc/75/45/87/815754587.db2.gz YXGCTHDDLSVWOD-LLVKDONJSA-N 2 0 292.383 -0.933 20 0 CBADRP C[NH+](C)CCN(C(=O)C1([NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC001161446830 815756197 /nfs/dbraw/zinc/75/61/97/815756197.db2.gz VFENOWRPVKNNRO-LLVKDONJSA-N 3 0 254.378 -0.380 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@H]1CC[C@@H]1[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161447901 815756218 /nfs/dbraw/zinc/75/62/18/815756218.db2.gz ZXYKMDWHWLLFBU-AGIUHOORSA-N 3 0 268.405 -0.134 20 0 CBADRP C[NH+](C)CCN(C(=O)C[C@H]1COCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161448463 815756241 /nfs/dbraw/zinc/75/62/41/815756241.db2.gz CIBGVKQOSUYEDH-UONOGXRCSA-N 3 0 298.431 -0.493 20 0 CBADRP C[NH2+]CCC(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001161481639 815758661 /nfs/dbraw/zinc/75/86/61/815758661.db2.gz YPOAZBUOXKLVAN-MFKMUULPSA-N 2 0 269.345 -0.651 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1CCC[C@H]1[NH3+])CC2 ZINC001161479917 815758902 /nfs/dbraw/zinc/75/89/02/815758902.db2.gz QWGHBVJSMSMMCN-FJJYHAOUSA-N 2 0 295.383 -0.133 20 0 CBADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@@]2(N)CCC[NH2+]C2)C1 ZINC001161487760 815760631 /nfs/dbraw/zinc/76/06/31/815760631.db2.gz IKNBFVQINRPYHF-CHWSQXEVSA-N 2 0 254.378 -0.345 20 0 CBADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001161489970 815761746 /nfs/dbraw/zinc/76/17/46/815761746.db2.gz SMZYQDBMRHYWFT-WCQYABFASA-N 2 0 265.361 -0.133 20 0 CBADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001161490336 815761860 /nfs/dbraw/zinc/76/18/60/815761860.db2.gz YUBQFDLBWQTMDC-MRVWCRGKSA-N 2 0 266.389 -0.475 20 0 CBADRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161489530 815761878 /nfs/dbraw/zinc/76/18/78/815761878.db2.gz UOSWICLEQOHPMR-OCCSQVGLSA-N 3 0 268.405 -0.099 20 0 CBADRP C[C@]1(C[NH3+])CCCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC001161489819 815761996 /nfs/dbraw/zinc/76/19/96/815761996.db2.gz WVWPBWKYUIUUBD-SWLSCSKDSA-N 2 0 296.415 -0.086 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@H]2[NH2+]C[C@H]3[C@@H]2C3(C)C)C[C@@H]1[NH3+] ZINC001161494273 815763453 /nfs/dbraw/zinc/76/34/53/815763453.db2.gz YUGJAINXYACBCP-HHKYUTTNSA-N 2 0 253.346 -0.585 20 0 CBADRP C[N@H+](C1CN(C(=O)C[C@@H]2COCC[NH2+]2)C1)[C@H]1CCOC1 ZINC001161497796 815763698 /nfs/dbraw/zinc/76/36/98/815763698.db2.gz FJXGKIRAUHYDTA-NEPJUHHUSA-N 2 0 283.372 -0.704 20 0 CBADRP [NH3+]C[C@H](Cc1ccccc1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161508671 815764825 /nfs/dbraw/zinc/76/48/25/815764825.db2.gz GAVQOKDULCRSRC-KBPBESRZSA-N 2 0 289.379 -0.010 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161511019 815765147 /nfs/dbraw/zinc/76/51/47/815765147.db2.gz VAXKYBQMEZXHHS-GARJFASQSA-N 2 0 253.346 -0.439 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])CC(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161508644 815765203 /nfs/dbraw/zinc/76/52/03/815765203.db2.gz FQNNYBKYNYSVIX-MNOVXSKESA-N 2 0 285.388 -0.295 20 0 CBADRP [NH3+]Cc1cccc(C(=O)N2C[C@H]([NH3+])C3(COC3)C2)c1 ZINC001161508063 815765323 /nfs/dbraw/zinc/76/53/23/815765323.db2.gz VTURVRSKZQJGSI-LBPRGKRZSA-N 2 0 261.325 -0.055 20 0 CBADRP CO[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)[C@H](C)C1 ZINC001161534544 815768365 /nfs/dbraw/zinc/76/83/65/815768365.db2.gz NTHRUNCUZPRNBN-UTUOFQBUSA-N 2 0 267.373 -0.179 20 0 CBADRP C[C@]1(C(=O)N2CC[NH2+]C3(CC3)C2)CC[NH2+]C[C@H]1O ZINC001161545789 815769172 /nfs/dbraw/zinc/76/91/72/815769172.db2.gz ZRWMZJQBBRAYRB-PWSUYJOCSA-N 2 0 253.346 -0.689 20 0 CBADRP O=C([C@@H]1CCC2(C[NH2+]C2)O1)N1CC[NH2+]C2(CC2)C1 ZINC001161545729 815769253 /nfs/dbraw/zinc/76/92/53/815769253.db2.gz ZAXHWYSZCGQYFY-JTQLQIEISA-N 2 0 251.330 -0.528 20 0 CBADRP O=C(N1CC[NH2+]C2(CC2)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161545007 815770055 /nfs/dbraw/zinc/77/00/55/815770055.db2.gz KTJMLTHPKITAII-BXUZGUMPSA-N 3 0 264.373 -0.850 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CC[NH2+]C2(CC2)C1 ZINC001161545072 815770163 /nfs/dbraw/zinc/77/01/63/815770163.db2.gz LDRATUVUFCHPTG-CYBMUJFWSA-N 2 0 253.346 -0.545 20 0 CBADRP CO[C@@H]1CC[NH2+][C@H](C(=O)N2CC[NH2+]C3(CC3)C2)C1 ZINC001161550459 815770363 /nfs/dbraw/zinc/77/03/63/815770363.db2.gz JFLWKCZXLQSVOB-MNOVXSKESA-N 2 0 253.346 -0.282 20 0 CBADRP O=C([C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1)N1CC[NH2+]C2(CC2)C1 ZINC001161545697 815770547 /nfs/dbraw/zinc/77/05/47/815770547.db2.gz YTROAXPTBBEQBA-SDDRHHMPSA-N 2 0 265.357 -0.282 20 0 CBADRP O=C([C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21)N1CC[NH2+]C2(CC2)C1 ZINC001161551055 815771350 /nfs/dbraw/zinc/77/13/50/815771350.db2.gz ZOSOULINPNVWRW-TUAOUCFPSA-N 2 0 265.357 -0.425 20 0 CBADRP O=C(c1ncn2c1C[NH2+]CC2)N1CC[NH2+]C2(CC2)C1 ZINC001161556583 815771771 /nfs/dbraw/zinc/77/17/71/815771771.db2.gz SRHKUKWABYZJSE-UHFFFAOYSA-N 2 0 261.329 -0.436 20 0 CBADRP O=C(c1cnc2n1CC[NH2+]CC2)N1CC[NH2+]C2(CC2)C1 ZINC001161556809 815771838 /nfs/dbraw/zinc/77/18/38/815771838.db2.gz VFFUWMQQMQEJHQ-UHFFFAOYSA-N 2 0 275.356 -0.393 20 0 CBADRP C[NH+](C)CCNc1nccnc1N1CC[NH2+]CC1 ZINC001161663852 815777973 /nfs/dbraw/zinc/77/79/73/815777973.db2.gz YKAYDSAKIJVMJJ-UHFFFAOYSA-N 2 0 250.350 -0.140 20 0 CBADRP [NH3+]Cc1cc(NCCN2CCC([NH3+])CC2)ncn1 ZINC001161867910 815791565 /nfs/dbraw/zinc/79/15/65/815791565.db2.gz WASNPSAURJOXIV-UHFFFAOYSA-N 2 0 250.350 -0.230 20 0 CBADRP [NH3+]C1CCN(CCNc2cc3c(nn2)CC[NH2+]C3)CC1 ZINC001161871201 815792759 /nfs/dbraw/zinc/79/27/59/815792759.db2.gz WJNQTAWJCBVCDO-UHFFFAOYSA-N 2 0 276.388 -0.043 20 0 CBADRP Cn1nnc2c1ncnc2NCCC[NH2+]CCCC[NH3+] ZINC001162294761 815811845 /nfs/dbraw/zinc/81/18/45/815811845.db2.gz WMRZFIGWZUJPEO-UHFFFAOYSA-N 2 0 278.364 -0.111 20 0 CBADRP COc1c(C2C[NH2+]C2)ncnc1-n1cnc(C[NH3+])c1 ZINC001162301758 815812286 /nfs/dbraw/zinc/81/22/86/815812286.db2.gz DQFUHASCOVJAGH-UHFFFAOYSA-N 2 0 260.301 -0.184 20 0 CBADRP [NH3+]Cc1ccnn1-c1nccc(N2CC[NH2+]CC2)n1 ZINC001162585471 815835568 /nfs/dbraw/zinc/83/55/68/815835568.db2.gz FSCCVMRQVAWAOQ-UHFFFAOYSA-N 2 0 259.317 -0.469 20 0 CBADRP C[NH+]1CCN(c2cc(-n3nccc3C[NH3+])ncn2)CC1 ZINC001162591585 815835766 /nfs/dbraw/zinc/83/57/66/815835766.db2.gz WSCZVGGLJBAWJZ-UHFFFAOYSA-N 2 0 273.344 -0.127 20 0 CBADRP O=C(NCCC[NH2+]CCF)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162871999 815847155 /nfs/dbraw/zinc/84/71/55/815847155.db2.gz CNPHQNOTCIQEII-LXVYMNJGSA-N 2 0 285.363 -0.085 20 0 CBADRP c1nc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)nc2c1CC[NH2+]C2 ZINC001163137886 815861398 /nfs/dbraw/zinc/86/13/98/815861398.db2.gz VABFPFSTPOFKEW-YUSALJHKSA-N 2 0 261.329 -0.479 20 0 CBADRP c1cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)ncc1OC1C[NH2+]C1 ZINC001163204216 815865552 /nfs/dbraw/zinc/86/55/52/815865552.db2.gz XURFYAUTOSKRPK-QMTHXVAHSA-N 2 0 276.340 -0.025 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ncc3c(n2)C[NH2+]CC3)N1 ZINC001163235053 815866804 /nfs/dbraw/zinc/86/68/04/815866804.db2.gz AZGPGSCYIWJXHR-ZWNOBZJWSA-N 2 0 274.328 -0.888 20 0 CBADRP C[NH2+]Cc1cc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)ncn1 ZINC001163234895 815867034 /nfs/dbraw/zinc/86/70/34/815867034.db2.gz CHTKOVVTHCIQCI-CABZTGNLSA-N 2 0 262.317 -0.814 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ncnc3c2C[NH2+]CC3)N1 ZINC001163239536 815870723 /nfs/dbraw/zinc/87/07/23/815870723.db2.gz QWUVSNHLBFKJTG-MFKMUULPSA-N 2 0 274.328 -0.888 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])Nc1cc2c(nn1)CC[NH2+]C2 ZINC001163445031 815885104 /nfs/dbraw/zinc/88/51/04/815885104.db2.gz LGJKLFKDAMRDSD-LBPRGKRZSA-N 2 0 292.387 -0.222 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])Nc1cc(C[NH3+])ncn1 ZINC001163438474 815885430 /nfs/dbraw/zinc/88/54/30/815885430.db2.gz KLQQOAXSCQKVSE-JTQLQIEISA-N 2 0 266.349 -0.409 20 0 CBADRP CCOC(=O)c1cn(-c2ncnc3c2C[NH2+]C3)nc1C[NH3+] ZINC001163520181 815888653 /nfs/dbraw/zinc/88/86/53/815888653.db2.gz BYFLVGZTODMSLH-UHFFFAOYSA-N 2 0 288.311 -0.099 20 0 CBADRP CN(CC[NH3+])c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001163687280 815895938 /nfs/dbraw/zinc/89/59/38/815895938.db2.gz HHUJULTZDCYFOW-UHFFFAOYSA-N 2 0 250.350 -0.377 20 0 CBADRP C[NH2+]CCN(C)c1cncc(N2CC[NH2+]CC2)n1 ZINC001163720850 815897748 /nfs/dbraw/zinc/89/77/48/815897748.db2.gz LTMXIWXCCDIANP-UHFFFAOYSA-N 2 0 250.350 -0.458 20 0 CBADRP CC[C@H](C(=O)NCCNC(=O)CC[NH+](C)C)[NH+](C)C ZINC001292926544 816491794 /nfs/dbraw/zinc/49/17/94/816491794.db2.gz ZJOPFIIFBKCIDC-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP C[C@@H](CC[NH+](C)C)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC001296072501 816599593 /nfs/dbraw/zinc/59/95/93/816599593.db2.gz JRVXNYBJZKEEKC-WCQYABFASA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@H](CC[NH+](C)C)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC001296072500 816600086 /nfs/dbraw/zinc/60/00/86/816600086.db2.gz JRVXNYBJZKEEKC-DGCLKSJQSA-N 2 0 257.378 -0.243 20 0 CBADRP CC[C@H](C(=O)N1CC([NH2+][C@H]2CCOC2)C1)[NH+](C)C ZINC001304083537 816778804 /nfs/dbraw/zinc/77/88/04/816778804.db2.gz FLZRWXJIRLGINW-CMPLNLGQSA-N 2 0 255.362 -0.084 20 0 CBADRP Cn1cc(C[NH2+]CCN2CCC([NH+](C)C)CC2)nn1 ZINC001308299818 816822531 /nfs/dbraw/zinc/82/25/31/816822531.db2.gz FRWWUALTXVDHHZ-UHFFFAOYSA-N 2 0 266.393 -0.069 20 0 CBADRP CN(CCOCC[N@H+](C)CCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001316767625 816879941 /nfs/dbraw/zinc/87/99/41/816879941.db2.gz UAPUGZGKIVAJOP-CYBMUJFWSA-N 2 0 287.404 -0.663 20 0 CBADRP CC[C@H](C(=O)NCCC[N@H+](C)CC(N)=O)[NH+](C)C ZINC001316834414 816886988 /nfs/dbraw/zinc/88/69/88/816886988.db2.gz JDJZRBRXPNWREQ-SNVBAGLBSA-N 2 0 258.366 -0.750 20 0 CBADRP CNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)Cn1ccnc1C ZINC001316866154 816894704 /nfs/dbraw/zinc/89/47/04/816894704.db2.gz XKSRIRZCZNMRCP-NSHDSACASA-N 2 0 295.387 -0.236 20 0 CBADRP C[C@@H](O)C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001316865770 816896234 /nfs/dbraw/zinc/89/62/34/816896234.db2.gz SCKDEUYKZAZYRS-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@@H](O)C[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001317281510 816957676 /nfs/dbraw/zinc/95/76/76/816957676.db2.gz DFIJAUWGJUCXTF-GHMZBOCLSA-N 2 0 255.362 -0.443 20 0 CBADRP CCCCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001317290114 816959495 /nfs/dbraw/zinc/95/94/95/816959495.db2.gz ONZABFQCPICTFY-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)CCCCC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001317342348 816967561 /nfs/dbraw/zinc/96/75/61/816967561.db2.gz GDBQGAQRIOEXGT-GFCCVEGCSA-N 2 0 284.404 -0.358 20 0 CBADRP C[N@H+](CCO)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001317451243 816983101 /nfs/dbraw/zinc/98/31/01/816983101.db2.gz KNJWHDOCMPQFCO-UHFFFAOYSA-N 2 0 255.362 -0.345 20 0 CBADRP COC[C@@H](O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001317574588 817016944 /nfs/dbraw/zinc/01/69/44/817016944.db2.gz ZCLUQMMPYBMXHH-NWDGAFQWSA-N 2 0 273.377 -0.864 20 0 CBADRP CN(CC[NH2+]CCCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001317587683 817024054 /nfs/dbraw/zinc/02/40/54/817024054.db2.gz RYJRLIUVLIFSLL-ZDUSSCGKSA-N 2 0 269.389 -0.241 20 0 CBADRP CN(CC[NH2+]C[C@@H]1CCNC(=O)CC1)C(=O)CC[NH+](C)C ZINC001317623719 817033606 /nfs/dbraw/zinc/03/36/06/817033606.db2.gz NZGRYKGASUMONO-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NC(C)C)[NH+](C)C ZINC001317631310 817034689 /nfs/dbraw/zinc/03/46/89/817034689.db2.gz XVPOOIUWMZDLFB-LBPRGKRZSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@H](O)C[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317652740 817039892 /nfs/dbraw/zinc/03/98/92/817039892.db2.gz CNXSITRJOGDQSV-RYUDHWBXSA-N 2 0 257.378 -0.243 20 0 CBADRP COCC[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001318173316 817083041 /nfs/dbraw/zinc/08/30/41/817083041.db2.gz QMUPFYVEEIMIRI-UHFFFAOYSA-N 2 0 255.362 -0.223 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001318273659 817093067 /nfs/dbraw/zinc/09/30/67/817093067.db2.gz UVYPXRRBXHHESL-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001319238863 817179254 /nfs/dbraw/zinc/17/92/54/817179254.db2.gz XIPKVEUNGDWKEP-SNVBAGLBSA-N 2 0 258.366 -0.974 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CCCO ZINC001319285344 817185668 /nfs/dbraw/zinc/18/56/68/817185668.db2.gz ZELCHOBVVNTJFM-NWDGAFQWSA-N 2 0 257.378 -0.338 20 0 CBADRP C[C@H](C[NH2+]CCO)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319461626 817208223 /nfs/dbraw/zinc/20/82/23/817208223.db2.gz UMKCMNKKZOVNGE-IJLUTSLNSA-N 2 0 257.378 -0.245 20 0 CBADRP O=C(NCC[NH+]1CC=CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC001319715417 817235823 /nfs/dbraw/zinc/23/58/23/817235823.db2.gz RTZAQJIQFPTKEB-CYBMUJFWSA-N 2 0 264.373 -0.636 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC2CCC2)C1 ZINC001320311568 817320222 /nfs/dbraw/zinc/32/02/22/817320222.db2.gz FCWKBMTWJGPLMW-CHWSQXEVSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@H](CC[NH2+]Cc1ncnn1C)NC(=O)C[NH+]1CCCC1 ZINC001320641641 817366388 /nfs/dbraw/zinc/36/63/88/817366388.db2.gz YRVNJFUNKXWPMY-GFCCVEGCSA-N 2 0 294.403 -0.105 20 0 CBADRP CCN(CC[NH2+]CC(=O)NC(C)C)C(=O)Cc1ncc[nH]1 ZINC001320876277 817405939 /nfs/dbraw/zinc/40/59/39/817405939.db2.gz LBVLLPUNFXODNR-UHFFFAOYSA-N 2 0 295.387 -0.085 20 0 CBADRP CCN(CC[NH2+]C[C@H](C)O)C(=O)C[NH+]1CCCC1 ZINC001320921576 817411356 /nfs/dbraw/zinc/41/13/56/817411356.db2.gz NLLAWRHYQFKUPI-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP COCC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001320998066 817425958 /nfs/dbraw/zinc/42/59/58/817425958.db2.gz MRMJIJANQIIPID-AAOUONPWSA-N 2 0 255.362 -0.011 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CC(=O)NC)CC[N@@H+]1C ZINC001321066359 817437625 /nfs/dbraw/zinc/43/76/25/817437625.db2.gz GVQDQXZIZMECNM-AGFGORMFSA-N 2 0 296.415 -0.275 20 0 CBADRP COC[C@@H](O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001321190049 817457504 /nfs/dbraw/zinc/45/75/04/817457504.db2.gz SHNAITXHVAHORQ-HORCIZIBSA-N 2 0 285.388 -0.650 20 0 CBADRP CN(C)C(=O)C[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001321222756 817464412 /nfs/dbraw/zinc/46/44/12/817464412.db2.gz LPCCHVKRVOZSKU-SNAWJCMRSA-N 2 0 296.415 -0.322 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]CC(=O)N(C)C)C1 ZINC001321251097 817469043 /nfs/dbraw/zinc/46/90/43/817469043.db2.gz QPNFNXRKWQTELG-DSYXLKISSA-N 2 0 296.415 -0.322 20 0 CBADRP O=S(=O)(N[C@@H]1C[NH2+]CC[C@@H]1F)C1CC[NH2+]CC1 ZINC001238895793 825570213 /nfs/dbraw/zinc/57/02/13/825570213.db2.gz MUAJWRAHJBXZJE-VHSXEESVSA-N 2 0 265.354 -0.642 20 0 CBADRP CC[NH+](CC)C[C@H](O)CNCC[N@@H+]1CC[C@@H](O)C1 ZINC001253208902 825905520 /nfs/dbraw/zinc/90/55/20/825905520.db2.gz UTMGTIMVQNXHEN-CHWSQXEVSA-N 2 0 259.394 -0.655 20 0 CBADRP CN(C[C@@H](O)C[NH2+]CCF)C(=O)[C@H]1CCC[N@@H+]1C ZINC001278737764 828278982 /nfs/dbraw/zinc/27/89/82/828278982.db2.gz UHVVTHJGFGJRLU-WDEREUQCSA-N 2 0 261.341 -0.541 20 0 CBADRP Cc1cc(OC2CC[NH2+]CC2)nc(N(CC[NH3+])CCO)n1 ZINC001163827590 819854550 /nfs/dbraw/zinc/85/45/50/819854550.db2.gz IDTYCJVNQMFZCJ-UHFFFAOYSA-N 2 0 295.387 -0.327 20 0 CBADRP CC(C)(C(=O)NCCC[NH2+][C@@H]1CCNC1=O)[NH+]1CCCC1 ZINC001163832717 819855898 /nfs/dbraw/zinc/85/58/98/819855898.db2.gz GIGOVMXQZVJZKW-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP CN(c1ncccc1N1CC[NH2+]CC1)S(=O)(=O)CC[NH3+] ZINC001164286987 819898551 /nfs/dbraw/zinc/89/85/51/819898551.db2.gz GIKREGGYUKRXOK-UHFFFAOYSA-N 2 0 299.400 -0.784 20 0 CBADRP CN(c1ccc(OC2C[NH2+]C2)cn1)S(=O)(=O)CC[NH3+] ZINC001164300580 819905770 /nfs/dbraw/zinc/90/57/70/819905770.db2.gz USQCVCRPPSZDLG-UHFFFAOYSA-N 2 0 286.357 -0.843 20 0 CBADRP c1nc2c(n1-c1ncc3c(n1)CC[NH2+]C3)C[NH2+]CC2 ZINC001164310085 819908573 /nfs/dbraw/zinc/90/85/73/819908573.db2.gz GTRYDTJWVRPANR-UHFFFAOYSA-N 2 0 256.313 -0.046 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCCC[NH2+][C@H]2CCNC2=O)CC[N@@H+]1C ZINC001164574763 819931684 /nfs/dbraw/zinc/93/16/84/819931684.db2.gz ZFOOKNLWYJCKGA-AVGNSLFASA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+]1CCN(c2cccc(N3C[C@H]([NH3+])[C@@H](O)C3)n2)CC1 ZINC001165147603 819939262 /nfs/dbraw/zinc/93/92/62/819939262.db2.gz JJKNZZDIKWUYGF-RYUDHWBXSA-N 2 0 277.372 -0.658 20 0 CBADRP C[NH+]1CCN(c2cccc(N3CCO[C@@H](C[NH3+])C3)n2)CC1 ZINC001165117910 819940004 /nfs/dbraw/zinc/94/00/04/819940004.db2.gz DRGOVVJHCZRKKD-ZDUSSCGKSA-N 2 0 291.399 -0.003 20 0 CBADRP c1nn(-c2ccc(N3CC[NH2+]CC3)nn2)c2c1C[NH2+]CC2 ZINC001165218122 819942497 /nfs/dbraw/zinc/94/24/97/819942497.db2.gz HVCOSCBSLFLACY-UHFFFAOYSA-N 2 0 285.355 -0.282 20 0 CBADRP CO[C@H]1CN(c2ccc(N3CC[NH+](C)CC3)nn2)C[C@@H]1[NH3+] ZINC001165204591 819942720 /nfs/dbraw/zinc/94/27/20/819942720.db2.gz NTCNAPOOGXHPRF-RYUDHWBXSA-N 2 0 292.387 -0.609 20 0 CBADRP c1nn(-c2cncc(N3CC[NH2+]CC3)n2)c2c1C[NH2+]CC2 ZINC001165219725 819942757 /nfs/dbraw/zinc/94/27/57/819942757.db2.gz VHNRAOYGDDJQRO-UHFFFAOYSA-N 2 0 285.355 -0.282 20 0 CBADRP CO[C@H]1CN(c2ccc(N3CC[NH+](C)CC3)nn2)C[C@H]1[NH3+] ZINC001165204590 819942798 /nfs/dbraw/zinc/94/27/98/819942798.db2.gz NTCNAPOOGXHPRF-NEPJUHHUSA-N 2 0 292.387 -0.609 20 0 CBADRP C[NH+]1CCN(c2ccc(N3C[C@H]4C[NH2+][C@H]4C3)nn2)CC1 ZINC001165194757 819943012 /nfs/dbraw/zinc/94/30/12/819943012.db2.gz NMZCEQDEIWWUOT-NEPJUHHUSA-N 2 0 274.372 -0.364 20 0 CBADRP c1nn(-c2ncc3c(n2)CC[NH2+]C3)c2c1C[NH2+]CC2 ZINC001165218047 819943340 /nfs/dbraw/zinc/94/33/40/819943340.db2.gz GMWTYVSUEAPKOC-UHFFFAOYSA-N 2 0 256.313 -0.046 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165263378 819944600 /nfs/dbraw/zinc/94/46/00/819944600.db2.gz NHRLIOCHWVEJCE-LLVKDONJSA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CCCO)CC1 ZINC001165261473 819944873 /nfs/dbraw/zinc/94/48/73/819944873.db2.gz ACZNSJXNLHIWFU-UHFFFAOYSA-N 2 0 257.378 -0.194 20 0 CBADRP Cc1cnc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c(C[NH3+])c1 ZINC001165283003 819948220 /nfs/dbraw/zinc/94/82/20/819948220.db2.gz MQHRPMFFWKVHTG-OCCSQVGLSA-N 2 0 262.357 -0.133 20 0 CBADRP c1cc(N2CCOCC23C[NH2+]C3)nnc1N1CC[NH2+]CC1 ZINC001165288163 819949254 /nfs/dbraw/zinc/94/92/54/819949254.db2.gz ZCHKDLZRVMZIEC-UHFFFAOYSA-N 2 0 290.371 -0.935 20 0 CBADRP [NH3+]Cc1cc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)ncn1 ZINC001165343495 819955671 /nfs/dbraw/zinc/95/56/71/819955671.db2.gz FYIRVRZFAYHAJV-AWEZNQCLSA-N 2 0 293.371 -0.479 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165359771 819956837 /nfs/dbraw/zinc/95/68/37/819956837.db2.gz IXMGXMPQVABLSO-UHFFFAOYSA-N 2 0 258.366 -0.830 20 0 CBADRP C[NH+](C)CCCC(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001165359758 819957067 /nfs/dbraw/zinc/95/70/67/819957067.db2.gz IRVCXPWKKPOYCL-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CN1CC[C@@H]([NH2+]CCCNC(=O)CCC[NH+](C)C)C1=O ZINC001165360897 819957503 /nfs/dbraw/zinc/95/75/03/819957503.db2.gz VMUPULYGCXUIGO-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP Cn1ncnc1C[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165367315 819958246 /nfs/dbraw/zinc/95/82/46/819958246.db2.gz ROXAXRDQUJZFFI-UHFFFAOYSA-N 2 0 282.392 -0.247 20 0 CBADRP c1ncc(N2CCC[C@H]3[NH2+]C[C@@H]32)nc1N1CC[NH2+]CC1 ZINC001165390161 819959823 /nfs/dbraw/zinc/95/98/23/819959823.db2.gz CXDMGIRFGKLKSR-NEPJUHHUSA-N 2 0 274.372 -0.173 20 0 CBADRP C[NH+](C)C1(C(=O)NCCC2(C[NH2+]CC(N)=O)CC2)CCC1 ZINC001165464694 819964688 /nfs/dbraw/zinc/96/46/88/819964688.db2.gz KMEPXGPJHJNTBF-UHFFFAOYSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)CC[NH+](C)C)c1nnnn1C ZINC001165776629 819981694 /nfs/dbraw/zinc/98/16/94/819981694.db2.gz MBLMIXNDIBWNHU-JTQLQIEISA-N 2 0 283.380 -0.681 20 0 CBADRP CC[C@H](C(=O)NCCC1(C[NH2+]CC(N)=O)CC1)[NH+](C)C ZINC001165727651 819981837 /nfs/dbraw/zinc/98/18/37/819981837.db2.gz FROYMDRVTRBXNU-LLVKDONJSA-N 2 0 284.404 -0.312 20 0 CBADRP CCCNC(=O)C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165772297 819981879 /nfs/dbraw/zinc/98/18/79/819981879.db2.gz MEZXQBWUWJIUQM-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP C[C@@H](O)C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165776912 819982299 /nfs/dbraw/zinc/98/22/99/819982299.db2.gz OECZPJUITVINIP-LLVKDONJSA-N 2 0 257.378 -0.195 20 0 CBADRP C[NH+]1CCC(C(=O)NCCC[NH2+]CCn2cncn2)CC1 ZINC001165777485 819983435 /nfs/dbraw/zinc/98/34/35/819983435.db2.gz UYDHKORVMLQGKB-UHFFFAOYSA-N 2 0 294.403 -0.284 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[NH2+]Cc1cnon1 ZINC001165781216 819983897 /nfs/dbraw/zinc/98/38/97/819983897.db2.gz LETPPNROODZDSF-UHFFFAOYSA-N 2 0 255.322 -0.383 20 0 CBADRP C[C@H](NC(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C)C1CC1 ZINC001165781545 819984199 /nfs/dbraw/zinc/98/41/99/819984199.db2.gz UZINRFKIFSRIKR-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)[C@H](C(=O)NCCC[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001166004726 819988760 /nfs/dbraw/zinc/98/87/60/819988760.db2.gz VAMJVNMMFYZQNS-CYBMUJFWSA-N 2 0 296.419 -0.003 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)C(N)=O ZINC001166011180 819990298 /nfs/dbraw/zinc/99/02/98/819990298.db2.gz YVLHHBYGKLGXGL-VXGBXAGGSA-N 2 0 286.420 -0.068 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]Cc1ncnn1C ZINC001166633628 820009828 /nfs/dbraw/zinc/00/98/28/820009828.db2.gz IWZIRPHGWYAHBP-GFCCVEGCSA-N 2 0 294.403 -0.105 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001166627139 820010308 /nfs/dbraw/zinc/01/03/08/820010308.db2.gz QUCWUIWDEGIGNQ-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001166627137 820010342 /nfs/dbraw/zinc/01/03/42/820010342.db2.gz QUCWUIWDEGIGNQ-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)N(C)C)C1 ZINC001166668252 820012572 /nfs/dbraw/zinc/01/25/72/820012572.db2.gz WVKIGCFPSCRDAB-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001166668248 820012628 /nfs/dbraw/zinc/01/26/28/820012628.db2.gz WUYYAYAWYMBJOT-NWDGAFQWSA-N 2 0 282.388 -0.687 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166668093 820013769 /nfs/dbraw/zinc/01/37/69/820013769.db2.gz QLSAHOUCIYLJLL-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)NC2CC2)C1 ZINC001166668153 820014018 /nfs/dbraw/zinc/01/40/18/820014018.db2.gz SSMMKBBHWYEOAS-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166668361 820014817 /nfs/dbraw/zinc/01/48/17/820014817.db2.gz ZVACTFFROLMDMA-LLVKDONJSA-N 2 0 270.377 -0.830 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]Cc2nnnn2C)C1 ZINC001166668098 820014843 /nfs/dbraw/zinc/01/48/43/820014843.db2.gz QNKYBRDEFWKHRS-NSHDSACASA-N 2 0 295.391 -0.852 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166668215 820014911 /nfs/dbraw/zinc/01/49/11/820014911.db2.gz VRWXUOBSYHZPPG-LBPRGKRZSA-N 2 0 284.404 -0.440 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001166690570 820016503 /nfs/dbraw/zinc/01/65/03/820016503.db2.gz DFYQQELNQIGOEW-NEPJUHHUSA-N 2 0 284.404 -0.632 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001166690572 820016659 /nfs/dbraw/zinc/01/66/59/820016659.db2.gz DFYQQELNQIGOEW-RYUDHWBXSA-N 2 0 284.404 -0.632 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCn1cncn1 ZINC001166693484 820017427 /nfs/dbraw/zinc/01/74/27/820017427.db2.gz SPLMQEBUWJCRSZ-OLZOCXBDSA-N 2 0 294.403 -0.428 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1nncn1C ZINC001166708102 820019475 /nfs/dbraw/zinc/01/94/75/820019475.db2.gz MCELQZBJRSAYND-NWDGAFQWSA-N 2 0 294.403 -0.391 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166759310 820035387 /nfs/dbraw/zinc/03/53/87/820035387.db2.gz RANISRJIOZZIJT-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C)C(N)=O ZINC001166744294 820035806 /nfs/dbraw/zinc/03/58/06/820035806.db2.gz PAVDCXZNGHJVNQ-NSHDSACASA-N 2 0 286.420 -0.066 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N(C)CC)[NH+](C)C ZINC001166857684 820041407 /nfs/dbraw/zinc/04/14/07/820041407.db2.gz GGVBTIUBNULLHZ-LBPRGKRZSA-N 2 0 286.420 -0.099 20 0 CBADRP CCCNC(=O)C[NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001166857677 820041504 /nfs/dbraw/zinc/04/15/04/820041504.db2.gz FYZIRQQHWCKZBL-LBPRGKRZSA-N 2 0 286.420 -0.051 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C ZINC001166852583 820041541 /nfs/dbraw/zinc/04/15/41/820041541.db2.gz TVWDXMZTBKBSJK-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001166852772 820042536 /nfs/dbraw/zinc/04/25/36/820042536.db2.gz WKDPVPSMOBWFNZ-UWVGGRQHSA-N 2 0 258.366 -0.704 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001166857673 820042925 /nfs/dbraw/zinc/04/29/25/820042925.db2.gz FXZQNNBKYCHQOY-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ncnc2c1CC[NH2+]CC2 ZINC001166961524 820053973 /nfs/dbraw/zinc/05/39/73/820053973.db2.gz MMMSQVPZZZUMTA-SKDRFNHKSA-N 2 0 291.355 -0.756 20 0 CBADRP [NH3+][C@H]1CN(c2nccc(C3CC[NH2+]CC3)n2)C[C@H]1O ZINC001167091627 820070002 /nfs/dbraw/zinc/07/00/02/820070002.db2.gz DCNKZPLZKATMIJ-CMPLNLGQSA-N 2 0 263.345 -0.548 20 0 CBADRP Cc1cnc(N2C[C@H]3COC[C@@H](C2)C3[NH3+])nc1C1C[NH2+]C1 ZINC001167189176 820074888 /nfs/dbraw/zinc/07/48/88/820074888.db2.gz LOLJKRCBGQYWFK-FUNVUKJBSA-N 2 0 289.383 -0.118 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCC2(C[NH2+]CC(N)=O)CC2)C1 ZINC001167232429 820075638 /nfs/dbraw/zinc/07/56/38/820075638.db2.gz CEHRPRNEUPSRMM-LBPRGKRZSA-N 2 0 296.415 -0.310 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167655744 820107395 /nfs/dbraw/zinc/10/73/95/820107395.db2.gz ZVYUHIYUQOBVTQ-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP C[C@@H](C(=O)NCCC[NH2+]CC(N)=O)[NH+]1CCCCCC1 ZINC001167610598 820107573 /nfs/dbraw/zinc/10/75/73/820107573.db2.gz UIQOUWVBTAAQJZ-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001167655042 820107909 /nfs/dbraw/zinc/10/79/09/820107909.db2.gz CPDZYHAMIXJKBQ-LLVKDONJSA-N 2 0 284.404 -0.312 20 0 CBADRP N=c1cc(C[NH3+])ccn1-c1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001167691106 820112084 /nfs/dbraw/zinc/11/20/84/820112084.db2.gz YUTIKHRMZAESLB-GFCCVEGCSA-N 2 0 286.339 -0.054 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC2(C[NH2+]CC(N)=O)CC2)C1 ZINC001167736902 820113570 /nfs/dbraw/zinc/11/35/70/820113570.db2.gz LJWIFYVKAUPUMA-GFCCVEGCSA-N 2 0 296.415 -0.310 20 0 CBADRP CCn1ncc(NC(=[NH2+])NCCCC[NH3+])cc1=O ZINC001167884586 820125065 /nfs/dbraw/zinc/12/50/65/820125065.db2.gz XRVYEBIRTJVXFY-UHFFFAOYSA-N 2 0 252.322 -0.062 20 0 CBADRP COC(=O)c1cc(NC(=[NH2+])NCCCC[NH3+])nnc1OC ZINC001167880566 820125343 /nfs/dbraw/zinc/12/53/43/820125343.db2.gz OXMRBTAIZIMLJQ-UHFFFAOYSA-N 2 0 296.331 -0.053 20 0 CBADRP COC(=O)c1cnnc(NC(=[NH2+])NCCCC[NH3+])c1 ZINC001167879881 820125641 /nfs/dbraw/zinc/12/56/41/820125641.db2.gz QKSDTVQKNIDQEK-UHFFFAOYSA-N 2 0 266.305 -0.062 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(-n2cnnn2)nc1 ZINC001167881974 820125785 /nfs/dbraw/zinc/12/57/85/820125785.db2.gz OMMMQHPRKSFNFF-UHFFFAOYSA-N 2 0 275.320 -0.268 20 0 CBADRP Nc1nc2nc[nH]c2c(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001167880383 820125962 /nfs/dbraw/zinc/12/59/62/820125962.db2.gz KGBJLLRYQMNXEC-UHFFFAOYSA-N 2 0 263.309 -0.390 20 0 CBADRP CNC(=O)C[NH2+]CC1(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001168320567 820156990 /nfs/dbraw/zinc/15/69/90/820156990.db2.gz CPUMXVFBTYEPQU-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001168747326 820173152 /nfs/dbraw/zinc/17/31/52/820173152.db2.gz HSDVQQAVUNCQGL-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]Cc1cnnn1C ZINC001168755294 820174831 /nfs/dbraw/zinc/17/48/31/820174831.db2.gz MGJQIDVOPWDEHB-UHFFFAOYSA-N 2 0 282.392 -0.247 20 0 CBADRP [NH3+]Cc1nc(=O)[nH]n1-c1cccc(CN2CC[C@@H]([NH3+])C2)c1 ZINC001168761178 820178157 /nfs/dbraw/zinc/17/81/57/820178157.db2.gz MGVQCNGLKKBMAF-LLVKDONJSA-N 2 0 288.355 -0.035 20 0 CBADRP [NH3+]Cc1nnnn1-c1nc(Cl)nc2c1CC[NH2+]CC2 ZINC001168919278 820190996 /nfs/dbraw/zinc/19/09/96/820190996.db2.gz ZIZVBZUBNIFTPE-UHFFFAOYSA-N 2 0 280.723 -0.747 20 0 CBADRP COC(=O)[C@@H](C[NH3+])Cc1ccc(-n2nnnc2C[NH3+])cc1 ZINC001168924597 820194545 /nfs/dbraw/zinc/19/45/45/820194545.db2.gz NWMCCNDWAWTKSO-SNVBAGLBSA-N 2 0 290.327 -0.589 20 0 CBADRP Cc1nc(CC[NH3+])nn1-c1ncnc2c1C[N@H+](C)CC2 ZINC001168986385 820199058 /nfs/dbraw/zinc/19/90/58/820199058.db2.gz UMRDFIASLWVBGK-UHFFFAOYSA-N 2 0 273.344 -0.145 20 0 CBADRP [NH3+][C@@H](CO)Cc1cncn1-c1ncc2c(n1)C[NH2+]CC2 ZINC001169067394 820203677 /nfs/dbraw/zinc/20/36/77/820203677.db2.gz RVVXGGYPEWQXDA-SNVBAGLBSA-N 2 0 274.328 -0.830 20 0 CBADRP CN([C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)S(=O)(=O)CC[NH3+] ZINC001169091860 820207374 /nfs/dbraw/zinc/20/73/74/820207374.db2.gz WKJLHYHXXKBJGU-JGPRNRPPSA-N 2 0 261.391 -0.168 20 0 CBADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CC(=O)NC1=O)C2 ZINC001169108053 820208246 /nfs/dbraw/zinc/20/82/46/820208246.db2.gz NNTWQKDBGSEOMR-MMWGEVLESA-N 2 0 251.330 -0.136 20 0 CBADRP CC[NH+]1CCC(NC(=[NH2+])NCCC[C@H](N)C(=O)OC)CC1 ZINC001169224666 820214371 /nfs/dbraw/zinc/21/43/71/820214371.db2.gz JMXZZSQTQJJGNJ-LBPRGKRZSA-N 2 0 299.419 -0.135 20 0 CBADRP COC(OC)c1c(C[NH3+])ccnc1-n1nncc1C[NH3+] ZINC001169307684 820226952 /nfs/dbraw/zinc/22/69/52/820226952.db2.gz AGYKOYDSLZRBBF-UHFFFAOYSA-N 2 0 278.316 -0.129 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCN(C)CC[NH3+])CO1 ZINC001169349079 820244128 /nfs/dbraw/zinc/24/41/28/820244128.db2.gz NYXSSYHVSSHJNN-NEPJUHHUSA-N 2 0 273.377 -0.423 20 0 CBADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](C[NH3+])C(=O)OC ZINC001169435964 820245565 /nfs/dbraw/zinc/24/55/65/820245565.db2.gz SNIASBBEBTYPFA-WDEREUQCSA-N 2 0 273.377 -0.029 20 0 CBADRP C[C@@H](O)C[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169531137 820251080 /nfs/dbraw/zinc/25/10/80/820251080.db2.gz LNGQSCYSBHZFSH-GFCCVEGCSA-N 2 0 287.404 -0.426 20 0 CBADRP CC(=O)N1CC[C@@H]([N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)C1 ZINC001169556167 820255312 /nfs/dbraw/zinc/25/53/12/820255312.db2.gz PUOQZSLTNYHXTK-CQSZACIVSA-N 2 0 296.415 -0.297 20 0 CBADRP CC(=O)N1CCC[C@@H]([NH+]2CCN(CC[NH3+])CC2)C1 ZINC001169577495 820257003 /nfs/dbraw/zinc/25/70/03/820257003.db2.gz QSNPGMZEBJNYJE-CYBMUJFWSA-N 2 0 254.378 -0.426 20 0 CBADRP c1cnc(N2CC[NH2+]CC2)c(NC[C@H]2COCC[NH2+]2)n1 ZINC001170030778 820273821 /nfs/dbraw/zinc/27/38/21/820273821.db2.gz DRZLTKMTXCZIDG-NSHDSACASA-N 2 0 278.360 -0.714 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1nncn1C ZINC001170211092 820280588 /nfs/dbraw/zinc/28/05/88/820280588.db2.gz JELGIFWALFKCOM-UHFFFAOYSA-N 2 0 282.392 -0.247 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)c1nnnn1C ZINC001170221967 820282448 /nfs/dbraw/zinc/28/24/48/820282448.db2.gz GECSIIDKQBGYCM-NSHDSACASA-N 2 0 297.407 -0.291 20 0 CBADRP Cc1c(CC[NH3+])c(=O)[nH]n1-c1ncc2c(n1)C[NH2+]CC2 ZINC001170339960 820288657 /nfs/dbraw/zinc/28/86/57/820288657.db2.gz KSKUWKBLWAFJDE-UHFFFAOYSA-N 2 0 274.328 -0.177 20 0 CBADRP Cc1c(CC[NH3+])c(=O)[nH]n1-c1nccc(C2C[NH2+]C2)n1 ZINC001170340008 820288697 /nfs/dbraw/zinc/28/86/97/820288697.db2.gz RDFFZKWTWPBRBM-UHFFFAOYSA-N 2 0 274.328 -0.136 20 0 CBADRP CN(CC[NH3+])CCNc1ccc2c(n1)OCC[NH2+]C2 ZINC001170497060 820294645 /nfs/dbraw/zinc/29/46/45/820294645.db2.gz CAHWOFNOIRJRSN-UHFFFAOYSA-N 2 0 265.361 -0.134 20 0 CBADRP CN(CC[NH3+])CCNc1ccc(O[C@@H]2CCC[NH2+]C2)nn1 ZINC001170499790 820295706 /nfs/dbraw/zinc/29/57/06/820295706.db2.gz VOQFVSUVESZPLS-GFCCVEGCSA-N 2 0 294.403 -0.090 20 0 CBADRP CN(CC[NH3+])CCNc1cccnc1OC1C[NH2+]C1 ZINC001170504458 820295856 /nfs/dbraw/zinc/29/58/56/820295856.db2.gz HSZRHUREWPHYQY-UHFFFAOYSA-N 2 0 265.361 -0.265 20 0 CBADRP [NH3+]CCOCCOCCNc1ncc2c(n1)C[NH2+]CC2 ZINC001170505399 820297118 /nfs/dbraw/zinc/29/71/18/820297118.db2.gz NXCAREZEENYRDA-UHFFFAOYSA-N 2 0 281.360 -0.474 20 0 CBADRP OC[C@H]1C[NH2+]C[C@@H]1Nc1nc(Cl)nc2c1CC[NH2+]CC2 ZINC001170772265 820316162 /nfs/dbraw/zinc/31/61/62/820316162.db2.gz CAUAHNUWDVSXIS-KCJUWKMLSA-N 2 0 297.790 -0.190 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@@H]1Nc1cc[nH+]c(N2CCOCC2)c1 ZINC001170774201 820317760 /nfs/dbraw/zinc/31/77/60/820317760.db2.gz AJVDQRAJEZAOOX-AAEUAGOBSA-N 2 0 278.356 -0.090 20 0 CBADRP COc1c(N[C@H]2C[NH2+]C[C@@H]2CO)ncnc1C1C[NH2+]C1 ZINC001170778051 820321324 /nfs/dbraw/zinc/32/13/24/820321324.db2.gz KRWPKHADQYIZLL-ZJUUUORDSA-N 2 0 279.344 -0.836 20 0 CBADRP OC[C@H]1C[NH2+]C[C@H]1Nc1cccnc1OC1C[NH2+]C1 ZINC001170780412 820322040 /nfs/dbraw/zinc/32/20/40/820322040.db2.gz GRZJBADWDJQTMF-BXKDBHETSA-N 2 0 264.329 -0.576 20 0 CBADRP CC[C@@]([NH3+])(CO)Nc1ccc(OC2C[NH2+]C2)cn1 ZINC001170866624 820331492 /nfs/dbraw/zinc/33/14/92/820331492.db2.gz UXDNEORLJPDPJR-LBPRGKRZSA-N 2 0 252.318 -0.099 20 0 CBADRP COCCn1cccc(N[C@@H]([NH3+])CCC[NH3+])c1=O ZINC001170902454 820334884 /nfs/dbraw/zinc/33/48/84/820334884.db2.gz CNQQKLUNSJOAOG-LLVKDONJSA-N 2 0 254.334 -0.070 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(OC2C[NH2+]C2)cn1 ZINC001170906862 820335117 /nfs/dbraw/zinc/33/51/17/820335117.db2.gz YIBQGMRGXJNJCY-LLVKDONJSA-N 3 0 251.334 -0.132 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1nccc(N2CCOCC2)n1 ZINC001170899279 820335157 /nfs/dbraw/zinc/33/51/57/820335157.db2.gz UBIMHUWJLTTYSU-JTQLQIEISA-N 2 0 266.349 -0.251 20 0 CBADRP Cn1cc(Br)nc(N[C@H]([NH3+])CCC[NH3+])c1=O ZINC001170900737 820335787 /nfs/dbraw/zinc/33/57/87/820335787.db2.gz XTUHWBRIBUYMEA-ZETCQYMHSA-N 2 0 290.165 -0.022 20 0 CBADRP CCOC(=O)CN(CC[NH3+])c1cc2c(nn1)C[NH2+]C2 ZINC001170993217 820342505 /nfs/dbraw/zinc/34/25/05/820342505.db2.gz QKYOTBCNQZLPTM-UHFFFAOYSA-N 2 0 265.317 -0.592 20 0 CBADRP C[C@H](O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171205115 820348793 /nfs/dbraw/zinc/34/87/93/820348793.db2.gz LXTSGHOILCXINB-NSHDSACASA-N 2 0 261.366 -0.959 20 0 CBADRP Cn1ncnc1C[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171219199 820350768 /nfs/dbraw/zinc/35/07/68/820350768.db2.gz VJWPXZMPFHVFOG-GFCCVEGCSA-N 2 0 294.403 -0.247 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]CCCO)C1 ZINC001171227597 820350873 /nfs/dbraw/zinc/35/08/73/820350873.db2.gz QDRBYZSFWDNPED-GFCCVEGCSA-N 2 0 257.378 -0.194 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC(=O)NC2CC2)C1 ZINC001171217391 820351446 /nfs/dbraw/zinc/35/14/46/820351446.db2.gz LTFYMIIOFZAYBI-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171294211 820356841 /nfs/dbraw/zinc/35/68/41/820356841.db2.gz RYYDHMVSTBJQBO-LLVKDONJSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)c1c[nH+]ccc1N(C)C)C(N)=O ZINC001171354594 820359347 /nfs/dbraw/zinc/35/93/47/820359347.db2.gz QLPVJDKDHNVRLR-JTQLQIEISA-N 2 0 293.371 -0.269 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]C[C@H](O)COC ZINC001171725502 820371109 /nfs/dbraw/zinc/37/11/09/820371109.db2.gz NBYNUTZWJDTFNS-ZDUSSCGKSA-N 2 0 289.420 -0.179 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])N[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172004626 820373320 /nfs/dbraw/zinc/37/33/20/820373320.db2.gz IZYHRGPEXMQGFC-SNVBAGLBSA-N 2 0 267.377 -0.007 20 0 CBADRP CCN1CC[C@@H]([NH2+]C[C@H](C[NH3+])C(=O)OC)CC1=O ZINC001172026843 820378062 /nfs/dbraw/zinc/37/80/62/820378062.db2.gz QWVCBZHPNPKHPO-VHSXEESVSA-N 2 0 257.334 -0.665 20 0 CBADRP COC(=O)[C@H](C[NH3+])C[NH2+]C1C[C@@H]2COC[C@H](C1)N2C ZINC001172125656 820382337 /nfs/dbraw/zinc/38/23/37/820382337.db2.gz AJRCVBFTKVYRBB-WAAKLRNESA-N 2 0 271.361 -0.815 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172166924 820387360 /nfs/dbraw/zinc/38/73/60/820387360.db2.gz SDHOVNYVVDJBHG-UPJWGTAASA-N 2 0 296.415 -0.027 20 0 CBADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172164534 820387476 /nfs/dbraw/zinc/38/74/76/820387476.db2.gz BMLRAKLYJWWNDO-OUAUKWLOSA-N 2 0 269.345 -0.523 20 0 CBADRP COCCC[NH+]1CCC(NC[C@H](C[NH3+])C(=O)OC)CC1 ZINC001172247240 820393405 /nfs/dbraw/zinc/39/34/05/820393405.db2.gz KQJCFZFJKYNTAJ-LBPRGKRZSA-N 2 0 287.404 -0.175 20 0 CBADRP [NH3+]CCOCC[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173743063 820410033 /nfs/dbraw/zinc/41/00/33/820410033.db2.gz PLBQQIJVYFAELN-GHMZBOCLSA-N 2 0 254.338 -0.278 20 0 CBADRP [NH3+]CCOCC[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173743064 820410093 /nfs/dbraw/zinc/41/00/93/820410093.db2.gz PLBQQIJVYFAELN-MNOVXSKESA-N 2 0 254.338 -0.278 20 0 CBADRP CN(CC[NH3+])CC[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173748180 820410787 /nfs/dbraw/zinc/41/07/87/820410787.db2.gz DGJZWPBFSMJNIA-VXGBXAGGSA-N 2 0 267.381 -0.363 20 0 CBADRP Cn1ncnc1C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176071794 820437515 /nfs/dbraw/zinc/43/75/15/820437515.db2.gz HUTHXRBAZDLLLB-NSHDSACASA-N 2 0 280.376 -0.637 20 0 CBADRP CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176071520 820438761 /nfs/dbraw/zinc/43/87/61/820438761.db2.gz FNCKGIGUDUWNCS-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CN(C)C(=O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176102162 820440581 /nfs/dbraw/zinc/44/05/81/820440581.db2.gz BUFBNNUUDILNLR-UHFFFAOYSA-N 2 0 270.377 -0.734 20 0 CBADRP CCn1cc(C[NH2+]CCCNC(=O)C[NH+]2CCCC2)nn1 ZINC001176110546 820441149 /nfs/dbraw/zinc/44/11/49/820441149.db2.gz WPLHHXYJYMROAV-UHFFFAOYSA-N 2 0 294.403 -0.010 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176102575 820441851 /nfs/dbraw/zinc/44/18/51/820441851.db2.gz HTPRWXUHYRPURE-GFCCVEGCSA-N 2 0 273.377 -0.815 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH2+]CCO ZINC001176857668 820472358 /nfs/dbraw/zinc/47/23/58/820472358.db2.gz YHJBZYNJIFLLTM-TXEJJXNPSA-N 2 0 257.378 -0.053 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C ZINC001176974975 820484354 /nfs/dbraw/zinc/48/43/54/820484354.db2.gz FMTHNUHIYQBHFI-GFCCVEGCSA-N 2 0 286.420 -0.101 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001176974798 820484483 /nfs/dbraw/zinc/48/44/83/820484483.db2.gz AYQCHWOSGKGXCH-GFCCVEGCSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176997032 820487145 /nfs/dbraw/zinc/48/71/45/820487145.db2.gz GHBLURMZSCVHNA-AWEZNQCLSA-N 2 0 298.431 -0.051 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)Cc1cncnc1 ZINC001177223311 820498532 /nfs/dbraw/zinc/49/85/32/820498532.db2.gz OEIWRIWGRDRXQK-UHFFFAOYSA-N 2 0 250.306 -0.520 20 0 CBADRP Cc1cc(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])nn1C ZINC001177892048 820547727 /nfs/dbraw/zinc/54/77/27/820547727.db2.gz ADNWMTSNWANIJG-UHFFFAOYSA-N 2 0 266.349 -0.268 20 0 CBADRP C[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])n1ccnc1 ZINC001177927493 820549108 /nfs/dbraw/zinc/54/91/08/820549108.db2.gz SXRNTBKYNOAOBC-SECBINFHSA-N 2 0 252.322 -0.095 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001178417845 820580689 /nfs/dbraw/zinc/58/06/89/820580689.db2.gz GITPYXLTLLRMLU-AVGNSLFASA-N 2 0 285.388 -0.722 20 0 CBADRP CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)[C@H]1C ZINC001178419026 820580813 /nfs/dbraw/zinc/58/08/13/820580813.db2.gz XYBHYALVVJNXQV-MELADBBJSA-N 2 0 299.415 -0.068 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC([NH2+][C@@H]3CCOC3)C2)C1 ZINC001179008748 820615003 /nfs/dbraw/zinc/61/50/03/820615003.db2.gz RBNSJCCMPWMOMM-VXGBXAGGSA-N 2 0 267.373 -0.083 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001179303795 820623965 /nfs/dbraw/zinc/62/39/65/820623965.db2.gz NPBIBVLNRDRDQM-ZDEQEGDKSA-N 2 0 296.415 -0.206 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001179303794 820624382 /nfs/dbraw/zinc/62/43/82/820624382.db2.gz NPBIBVLNRDRDQM-MROQNXINSA-N 2 0 296.415 -0.206 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179435175 820626744 /nfs/dbraw/zinc/62/67/44/820626744.db2.gz MKQVZGYMLAQQEX-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)CCC[NH+](C)C ZINC001179435234 820627092 /nfs/dbraw/zinc/62/70/92/820627092.db2.gz OIRQNURPVOGYLS-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)CC[NH+](C)C ZINC001179482052 820629409 /nfs/dbraw/zinc/62/94/09/820629409.db2.gz QDKZBUNQLXRBBT-SDDRHHMPSA-N 2 0 282.388 -0.594 20 0 CBADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C)C(N)=O ZINC001179485877 820629929 /nfs/dbraw/zinc/62/99/29/820629929.db2.gz CRWOQBKBBBAZAB-TUAOUCFPSA-N 2 0 284.404 -0.219 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179486083 820630722 /nfs/dbraw/zinc/63/07/22/820630722.db2.gz HHKSEWFHEPZYOR-WOPDTQHZSA-N 2 0 284.404 -0.348 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)[C@H]1C ZINC001179534382 820632165 /nfs/dbraw/zinc/63/21/65/820632165.db2.gz JWQBHCFAGGDWSF-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H]1C ZINC001179856669 820643271 /nfs/dbraw/zinc/64/32/71/820643271.db2.gz GEESQMIWQZQEEB-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179924934 820646032 /nfs/dbraw/zinc/64/60/32/820646032.db2.gz HLYOVVJFRGUPGI-XQQFMLRXSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CCN(C)C(C)=O ZINC001180231565 820656459 /nfs/dbraw/zinc/65/64/59/820656459.db2.gz KAENAXILUCIFMM-UHFFFAOYSA-N 2 0 285.392 -0.081 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001180638125 820704971 /nfs/dbraw/zinc/70/49/71/820704971.db2.gz BROMPSVAIVEKBE-NSHDSACASA-N 2 0 297.403 -0.081 20 0 CBADRP CCC[C@@H](NC(C)=O)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001180977934 820744142 /nfs/dbraw/zinc/74/41/42/820744142.db2.gz FWUCWCGZPTVJCG-SNVBAGLBSA-N 2 0 271.365 -0.248 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001181653339 820806269 /nfs/dbraw/zinc/80/62/69/820806269.db2.gz YGUFRMFLEUBYDW-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001181651228 820806890 /nfs/dbraw/zinc/80/68/90/820806890.db2.gz ABAIZBRPEXSNHV-CHWSQXEVSA-N 2 0 285.388 -0.720 20 0 CBADRP COCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001181653321 820807343 /nfs/dbraw/zinc/80/73/43/820807343.db2.gz XSQAHRBLCKLGTP-VXGBXAGGSA-N 2 0 255.362 -0.083 20 0 CBADRP N=c1ncc(C[NH3+])cn1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182016508 820848946 /nfs/dbraw/zinc/84/89/46/820848946.db2.gz IFCRRGISQDODAX-LLVKDONJSA-N 2 0 261.329 -0.197 20 0 CBADRP N=c1ncc(C[NH3+])cn1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182016513 820849225 /nfs/dbraw/zinc/84/92/25/820849225.db2.gz IFCRRGISQDODAX-NSHDSACASA-N 2 0 261.329 -0.197 20 0 CBADRP C[NH+]1CCC(O)(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC001182034277 820854358 /nfs/dbraw/zinc/85/43/58/820854358.db2.gz TYNZQSWBUOTGBX-NSHDSACASA-N 2 0 255.362 -0.347 20 0 CBADRP C[NH+]1CCC(O)(C(=O)NC(=N)SCC[NH3+])CC1 ZINC001182032444 820854934 /nfs/dbraw/zinc/85/49/34/820854934.db2.gz HODAZEKLOWSCNM-UHFFFAOYSA-N 2 0 260.363 -0.814 20 0 CBADRP C[C@@H]1C(=O)OC[C@@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001182087837 820865849 /nfs/dbraw/zinc/86/58/49/820865849.db2.gz NEWXHUIFHJOKMK-YUMQZZPRSA-N 2 0 256.306 -0.744 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1COC(=O)[C@H]1C ZINC001182091964 820868867 /nfs/dbraw/zinc/86/88/67/820868867.db2.gz IZSAXUNTXWOBGG-UWVGGRQHSA-N 2 0 284.360 -0.141 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1COC(=O)[C@@H]1C ZINC001182091959 820869072 /nfs/dbraw/zinc/86/90/72/820869072.db2.gz IZSAXUNTXWOBGG-NXEZZACHSA-N 2 0 284.360 -0.141 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001182676128 820936033 /nfs/dbraw/zinc/93/60/33/820936033.db2.gz BKIIVPRYCOPMOR-JHJVBQTASA-N 2 0 296.415 -0.395 20 0 CBADRP CC1(C)OC(=O)C[C@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001182756480 820942910 /nfs/dbraw/zinc/94/29/10/820942910.db2.gz LYWOEDNVCKVPTO-QMMMGPOBSA-N 2 0 270.333 -0.211 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183229323 820982886 /nfs/dbraw/zinc/98/28/86/820982886.db2.gz IMXFTYUAPSDDNI-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCCO)C1)C1CC1 ZINC001183268754 820986270 /nfs/dbraw/zinc/98/62/70/820986270.db2.gz WOIJGLNRTCNAFB-OLZOCXBDSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+](C)CCCCC(=O)N(CC[NH3+])S(C)(=O)=O ZINC001184052751 821052020 /nfs/dbraw/zinc/05/20/20/821052020.db2.gz GHLJKWGSTUBXQI-UHFFFAOYSA-N 2 0 265.379 -0.535 20 0 CBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185032007 821094498 /nfs/dbraw/zinc/09/44/98/821094498.db2.gz SKFRBKMCYBHYPE-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185071713 821098097 /nfs/dbraw/zinc/09/80/97/821098097.db2.gz AOWUZELENSZGQU-CHWSQXEVSA-N 2 0 298.431 -0.242 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185071716 821098820 /nfs/dbraw/zinc/09/88/20/821098820.db2.gz AOWUZELENSZGQU-QWHCGFSZSA-N 2 0 298.431 -0.242 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185229829 821103508 /nfs/dbraw/zinc/10/35/08/821103508.db2.gz IITRTTFGRXHQDC-NWDGAFQWSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001185230168 821103907 /nfs/dbraw/zinc/10/39/07/821103907.db2.gz OGWXZBMCXYYVRW-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCOC[C@H]1C[NH+](C)C ZINC001185258201 821114551 /nfs/dbraw/zinc/11/45/51/821114551.db2.gz QNTIUMLONZDREQ-CHWSQXEVSA-N 2 0 284.404 -0.979 20 0 CBADRP C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185265968 821118588 /nfs/dbraw/zinc/11/85/88/821118588.db2.gz VLEQTPXXNQVKNQ-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N[C@@]1(C)CCC[NH+](C)C1 ZINC001185268594 821121566 /nfs/dbraw/zinc/12/15/66/821121566.db2.gz DTJIODRCVPSIHM-JSGCOSHPSA-N 2 0 268.405 -0.167 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001185348069 821125522 /nfs/dbraw/zinc/12/55/22/821125522.db2.gz NPFAHUFKRKMGBO-QWHCGFSZSA-N 2 0 298.431 -0.112 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001185416119 821128431 /nfs/dbraw/zinc/12/84/31/821128431.db2.gz NZNYATGJFHNJNE-VXGBXAGGSA-N 2 0 284.404 -0.395 20 0 CBADRP CN1CCC[C@@H]([NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001185408663 821128888 /nfs/dbraw/zinc/12/88/88/821128888.db2.gz VJCMKASXWQNWPJ-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001185446893 821131040 /nfs/dbraw/zinc/13/10/40/821131040.db2.gz SYTQOMUNRXMOGR-TZMCWYRMSA-N 2 0 298.431 -0.149 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001185659895 821137938 /nfs/dbraw/zinc/13/79/38/821137938.db2.gz SBIIJQIPRNXNOF-UONOGXRCSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001185660186 821138126 /nfs/dbraw/zinc/13/81/26/821138126.db2.gz ZOECJNRNVMDXOL-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001185659899 821138616 /nfs/dbraw/zinc/13/86/16/821138616.db2.gz SBIIJQIPRNXNOF-ZIAGYGMSSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001185659858 821138903 /nfs/dbraw/zinc/13/89/03/821138903.db2.gz QZJIIGRAVXAQQN-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001185716406 821140172 /nfs/dbraw/zinc/14/01/72/821140172.db2.gz WRCSFPHQAGPACT-UPJWGTAASA-N 2 0 298.431 -0.006 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC001186037844 821153150 /nfs/dbraw/zinc/15/31/50/821153150.db2.gz KZDRIOJVJPPTRW-ZDUSSCGKSA-N 2 0 269.389 -0.004 20 0 CBADRP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC(C)([NH+](C)C)C2)C1 ZINC001186105509 821168831 /nfs/dbraw/zinc/16/88/31/821168831.db2.gz DMGWRPJDPXZZPH-NSHDSACASA-N 2 0 283.372 -0.356 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001186486796 821183297 /nfs/dbraw/zinc/18/32/97/821183297.db2.gz DQFQRNOAUDSQQB-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001186807609 821198177 /nfs/dbraw/zinc/19/81/77/821198177.db2.gz BGHVNEDIHGHZCO-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1)C(N)=O ZINC001186834888 821200328 /nfs/dbraw/zinc/20/03/28/821200328.db2.gz VOTSNEPXYFEPHN-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP COCC[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187107009 821212606 /nfs/dbraw/zinc/21/26/06/821212606.db2.gz SERGVFMZCWRZEU-GFCCVEGCSA-N 2 0 273.377 -0.599 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187122143 821213608 /nfs/dbraw/zinc/21/36/08/821213608.db2.gz PNHVJEXZWOCYCU-CHWSQXEVSA-N 2 0 297.399 -0.720 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1 ZINC001280152284 828344527 /nfs/dbraw/zinc/34/45/27/828344527.db2.gz KMUHNORQKIQHNF-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1 ZINC001280151169 828345527 /nfs/dbraw/zinc/34/55/27/828345527.db2.gz GBOITVNLUIAELQ-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001280263763 828347185 /nfs/dbraw/zinc/34/71/85/828347185.db2.gz LTFBYYAKLPQQOK-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP COCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001280666385 828370920 /nfs/dbraw/zinc/37/09/20/828370920.db2.gz FWTDLBHZWYVWPL-KBPBESRZSA-N 2 0 299.415 -0.208 20 0 CBADRP COCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187825495 822297848 /nfs/dbraw/zinc/29/78/48/822297848.db2.gz NQCVJXPBIQRNDI-ZIAGYGMSSA-N 2 0 299.415 -0.208 20 0 CBADRP COCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001187850960 822299765 /nfs/dbraw/zinc/29/97/65/822299765.db2.gz JETYXDKLPATNRP-ZIAGYGMSSA-N 2 0 299.415 -0.208 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187843167 822301645 /nfs/dbraw/zinc/30/16/45/822301645.db2.gz WEPLZTOENCNICQ-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001188158904 822323172 /nfs/dbraw/zinc/32/31/72/822323172.db2.gz ZNVNVIKSIBZTIP-GHMZBOCLSA-N 2 0 270.377 -0.609 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CCOCCO ZINC001282363713 828441948 /nfs/dbraw/zinc/44/19/48/828441948.db2.gz DPBWXRLKPRHBCC-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[C@@H](C(=O)NCCNC(=O)C1CC[NH+](C)CC1)[NH+](C)C ZINC001283092956 828495762 /nfs/dbraw/zinc/49/57/62/828495762.db2.gz BAVNCVJPEKVSLB-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]CCCF ZINC001283827648 828554861 /nfs/dbraw/zinc/55/48/61/828554861.db2.gz PFCCPOOBUZAGKH-LLVKDONJSA-N 2 0 261.341 -0.492 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cn[nH]n1 ZINC001189360495 823750498 /nfs/dbraw/zinc/75/04/98/823750498.db2.gz FHHDMOIRICCWCX-UHFFFAOYSA-N 2 0 253.310 -0.518 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCO)C[C@H]21 ZINC001189667106 823770485 /nfs/dbraw/zinc/77/04/85/823770485.db2.gz ATQBGHHUFLXWEZ-QWHCGFSZSA-N 2 0 269.389 -0.147 20 0 CBADRP COC(=O)[C@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001190533065 823819733 /nfs/dbraw/zinc/81/97/33/823819733.db2.gz ZRJVDCLTMWJYMW-NSHDSACASA-N 2 0 288.392 -0.317 20 0 CBADRP COC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191728483 823917868 /nfs/dbraw/zinc/91/78/68/823917868.db2.gz ZLGGOPJJKIVEHO-MGPQQGTHSA-N 2 0 299.415 -0.379 20 0 CBADRP CNC(=O)CN(C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001191998481 823936324 /nfs/dbraw/zinc/93/63/24/823936324.db2.gz NRRCLPUYCSKCEH-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001192038865 823942548 /nfs/dbraw/zinc/94/25/48/823942548.db2.gz TXJOJLABAFQZOL-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001192169887 823955250 /nfs/dbraw/zinc/95/52/50/823955250.db2.gz FDZLKOIMUYMHTB-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001284418556 828592781 /nfs/dbraw/zinc/59/27/81/828592781.db2.gz UVTJXSIYXQMQOQ-OLZOCXBDSA-N 2 0 269.389 -0.243 20 0 CBADRP CCNC(=O)CN(C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192958887 823994069 /nfs/dbraw/zinc/99/40/69/823994069.db2.gz GXMOYOZIFIQSGM-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O)C1CC1 ZINC001193780911 824045399 /nfs/dbraw/zinc/04/53/99/824045399.db2.gz HNPMIRLTHZHCRI-MGPQQGTHSA-N 2 0 281.400 -0.102 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193791393 824046663 /nfs/dbraw/zinc/04/66/63/824046663.db2.gz LGZCMTPCYCKIKW-UTUOFQBUSA-N 2 0 255.362 -0.492 20 0 CBADRP CC(=O)c1nc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cn1C ZINC001193840657 824047539 /nfs/dbraw/zinc/04/75/39/824047539.db2.gz XFONZTUTUARZLD-UHFFFAOYSA-N 2 0 280.332 -0.303 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O)[NH+](C)C ZINC001193929954 824051518 /nfs/dbraw/zinc/05/15/18/824051518.db2.gz QHMONWKOGXAHNH-UPJWGTAASA-N 2 0 287.404 -0.884 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193960927 824053438 /nfs/dbraw/zinc/05/34/38/824053438.db2.gz JBICIQOSTMOCJF-UTUOFQBUSA-N 2 0 257.378 -0.246 20 0 CBADRP C[N@H+](CCOCCO)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002305 824054538 /nfs/dbraw/zinc/05/45/38/824054538.db2.gz QZCUHCFRKQQOPJ-UONOGXRCSA-N 2 0 299.415 -0.520 20 0 CBADRP CN(C)C(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194000296 824054670 /nfs/dbraw/zinc/05/46/70/824054670.db2.gz AKWUJZVVVQKVDA-QWHCGFSZSA-N 2 0 296.415 -0.441 20 0 CBADRP C[N@H+](CCCO)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194011070 824056035 /nfs/dbraw/zinc/05/60/35/824056035.db2.gz OAZSRXFEJOOZMW-QWHCGFSZSA-N 2 0 269.389 -0.147 20 0 CBADRP C[N@H+](CCCO)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194036669 824057456 /nfs/dbraw/zinc/05/74/56/824057456.db2.gz BYOYSMXAJKFLSS-CYBMUJFWSA-N 2 0 269.389 -0.003 20 0 CBADRP CNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194037135 824057476 /nfs/dbraw/zinc/05/74/76/824057476.db2.gz CQGVGFCPFAUBPL-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@H]2CCNC2=O)C1 ZINC001194283483 824067676 /nfs/dbraw/zinc/06/76/76/824067676.db2.gz CBCIAMLWGNBDSZ-OLZOCXBDSA-N 2 0 296.415 -0.252 20 0 CBADRP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677856 824128199 /nfs/dbraw/zinc/12/81/99/824128199.db2.gz VSMPJUUBGBNHOM-VXGBXAGGSA-N 2 0 269.389 -0.102 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001195702060 824128321 /nfs/dbraw/zinc/12/83/21/824128321.db2.gz WLXQEZFOCVNOEB-CHWSQXEVSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O ZINC001195859611 824134403 /nfs/dbraw/zinc/13/44/03/824134403.db2.gz MBOLENDQPPZHFN-ZIAGYGMSSA-N 2 0 299.415 -0.332 20 0 CBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195821114 824134594 /nfs/dbraw/zinc/13/45/94/824134594.db2.gz DYBUUCIXCNUPCD-ZIAGYGMSSA-N 2 0 299.415 -0.474 20 0 CBADRP CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195872417 824135139 /nfs/dbraw/zinc/13/51/39/824135139.db2.gz ZLKJSJVAMSJJKX-VXGBXAGGSA-N 2 0 257.378 -0.245 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001195869412 824135812 /nfs/dbraw/zinc/13/58/12/824135812.db2.gz CUHIAOKAMZRULM-JHJVBQTASA-N 2 0 285.388 -0.864 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1O ZINC001197048858 824177129 /nfs/dbraw/zinc/17/71/29/824177129.db2.gz HOZLSUBOHYBHIW-VXGBXAGGSA-N 2 0 257.378 -0.102 20 0 CBADRP COCCn1cc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cn1 ZINC001197482549 824193169 /nfs/dbraw/zinc/19/31/69/824193169.db2.gz PCJWKZRAIPATLL-UHFFFAOYSA-N 2 0 282.348 -0.396 20 0 CBADRP CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825709 824202980 /nfs/dbraw/zinc/20/29/80/824202980.db2.gz GSVHSWWNCIFTAF-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926706 824208721 /nfs/dbraw/zinc/20/87/21/824208721.db2.gz UJQPRFIGSIIPPA-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCCN([C@@H](C)C(=O)NC)CC1 ZINC001197921980 824208979 /nfs/dbraw/zinc/20/89/79/824208979.db2.gz DPMSJHPREFOLCH-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](C)O)C[C@H]1O ZINC001198028447 824215852 /nfs/dbraw/zinc/21/58/52/824215852.db2.gz ABYKFHKXCCECDD-JHJVBQTASA-N 2 0 287.404 -0.740 20 0 CBADRP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023401 824246497 /nfs/dbraw/zinc/24/64/97/824246497.db2.gz HVXMZXNJJOPXQJ-ZIAGYGMSSA-N 2 0 299.415 -0.330 20 0 CBADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001199057613 824248376 /nfs/dbraw/zinc/24/83/76/824248376.db2.gz NVFRWOFPQXBQGT-ZIAGYGMSSA-N 2 0 299.415 -0.594 20 0 CBADRP CC(C)n1cc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cnc1=O ZINC001199252040 824257463 /nfs/dbraw/zinc/25/74/63/824257463.db2.gz XVBACMYXLMDKHR-UHFFFAOYSA-N 2 0 294.359 -0.101 20 0 CBADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cnnn2C)CC1 ZINC001199259444 824258633 /nfs/dbraw/zinc/25/86/33/824258633.db2.gz QVZNQSHCTCTWKO-GFCCVEGCSA-N 2 0 266.393 -0.069 20 0 CBADRP COC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001199943252 824296798 /nfs/dbraw/zinc/29/67/98/824296798.db2.gz GOZBNXMDGKIWSA-JSGCOSHPSA-N 2 0 299.415 -0.068 20 0 CBADRP COC[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC001199943250 824297107 /nfs/dbraw/zinc/29/71/07/824297107.db2.gz GOZBNXMDGKIWSA-GXTWGEPZSA-N 2 0 299.415 -0.068 20 0 CBADRP COCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200122691 824307826 /nfs/dbraw/zinc/30/78/26/824307826.db2.gz HPFBXDMGCBNJMK-UONOGXRCSA-N 2 0 299.415 -0.066 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001200122888 824307947 /nfs/dbraw/zinc/30/79/47/824307947.db2.gz JLBQULVTTKIIPD-STQMWFEESA-N 2 0 285.388 -0.720 20 0 CBADRP CNC(=O)C[NH2+]C1CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC001200290811 824313904 /nfs/dbraw/zinc/31/39/04/824313904.db2.gz DVMOUXRJORHEMG-UHFFFAOYSA-N 2 0 293.371 -0.331 20 0 CBADRP CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001201053093 824327017 /nfs/dbraw/zinc/32/70/17/824327017.db2.gz KQFLGJUNRCZGFJ-CQSZACIVSA-N 2 0 296.415 -0.347 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001202056665 824340627 /nfs/dbraw/zinc/34/06/27/824340627.db2.gz ARWRACBIIMJUOE-OLZOCXBDSA-N 2 0 285.388 -0.863 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCCO)C2)C1 ZINC001202058264 824341741 /nfs/dbraw/zinc/34/17/41/824341741.db2.gz JJBXIJWFHBNKCA-KBPBESRZSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202060190 824341761 /nfs/dbraw/zinc/34/17/61/824341761.db2.gz UMRUEFCXFRQXSS-UONOGXRCSA-N 2 0 299.415 -0.330 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC([NH2+]CC(=O)N2CCC2)CC1 ZINC001202316027 824346637 /nfs/dbraw/zinc/34/66/37/824346637.db2.gz JQEKRMOYGSPVBS-UHFFFAOYSA-N 2 0 296.415 -0.249 20 0 CBADRP Cn1nncc1C[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202316394 824346761 /nfs/dbraw/zinc/34/67/61/824346761.db2.gz ZYVUUPNEMXZPHY-UHFFFAOYSA-N 2 0 294.403 -0.153 20 0 CBADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1CCC(=O)N1 ZINC001202843137 824352808 /nfs/dbraw/zinc/35/28/08/824352808.db2.gz FKIAKJLMRAOTOO-MELADBBJSA-N 2 0 280.416 -0.025 20 0 CBADRP C[NH+]1CCN(C2CC[NH+](C[C@H]3CCC(=O)N3)CC2)CC1 ZINC001202845355 824352895 /nfs/dbraw/zinc/35/28/95/824352895.db2.gz XCRIMXKPAQEINU-CYBMUJFWSA-N 2 0 280.416 -0.023 20 0 CBADRP CN(C)CC(=O)N[C@@H]1CCC[N@H+](C[C@H]2CCC(=O)N2)C1 ZINC001202902372 824354501 /nfs/dbraw/zinc/35/45/01/824354501.db2.gz HXMTUMJVBGNJDT-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001203010053 824357283 /nfs/dbraw/zinc/35/72/83/824357283.db2.gz GCTNEKNIUNFRHM-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001203010049 824357449 /nfs/dbraw/zinc/35/74/49/824357449.db2.gz GCTNEKNIUNFRHM-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CCOCC(=O)N1CCC([NH2+]CCO)CC1 ZINC001203355453 824361837 /nfs/dbraw/zinc/36/18/37/824361837.db2.gz VTVIRGWBZUUFPQ-UHFFFAOYSA-N 2 0 273.377 -0.863 20 0 CBADRP COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203699697 824363290 /nfs/dbraw/zinc/36/32/90/824363290.db2.gz PYBSZLJFLXFZRO-OCCSQVGLSA-N 2 0 299.415 -0.474 20 0 CBADRP N[C@@H]1NC(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)=CS1 ZINC001205209367 824375691 /nfs/dbraw/zinc/37/56/91/824375691.db2.gz IZGJCKSZKYJHRQ-GHMZBOCLSA-N 2 0 258.391 -0.418 20 0 CBADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cn3c(n2)CNCC3)CC1 ZINC001205219200 824376392 /nfs/dbraw/zinc/37/63/92/824376392.db2.gz AEPRYGGSAAKPTQ-CQSZACIVSA-N 2 0 279.388 -0.338 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CC(N)=O)CC2)CC[N@@H+]1C ZINC001205334957 824377513 /nfs/dbraw/zinc/37/75/13/824377513.db2.gz UHZOHEQCPPEHGU-DGCLKSJQSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@H]1CC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@H]1C[NH3+] ZINC001205638842 824380592 /nfs/dbraw/zinc/38/05/92/824380592.db2.gz SMNDFGLENZLIII-RYUDHWBXSA-N 2 0 294.399 -0.109 20 0 CBADRP Cn1cc(CN2CCCC[C@@](F)(C[NH3+])C2)c(=O)n(C)c1=O ZINC001206362194 824398034 /nfs/dbraw/zinc/39/80/34/824398034.db2.gz NABGWEBFWSRRLV-CQSZACIVSA-N 2 0 298.362 -0.263 20 0 CBADRP [NH3+][C@H]1C[C@H](F)CN(Cc2cnc3n2CC[NH2+]CC3)C1 ZINC001206414717 824400087 /nfs/dbraw/zinc/40/00/87/824400087.db2.gz PFDUDKSUZSQDTO-QWRGUYRKSA-N 2 0 267.352 -0.100 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]CC(N)=O)CC2)C1 ZINC001206872573 824407947 /nfs/dbraw/zinc/40/79/47/824407947.db2.gz KKLJFKHTFPFKSZ-ZDUSSCGKSA-N 2 0 296.415 -0.358 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206890391 824409623 /nfs/dbraw/zinc/40/96/23/824409623.db2.gz PJMHJTPTJDFPFD-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP C[C@@H]([NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1)C(N)=O ZINC001206929150 824413034 /nfs/dbraw/zinc/41/30/34/824413034.db2.gz WKZMLKVRHHVODP-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP COC(C[N@@H+]1CCC[C@@H](NC(=O)CN(C)C)C1)OC ZINC001207255572 824424176 /nfs/dbraw/zinc/42/41/76/824424176.db2.gz NSAGXQLGTXMANP-LLVKDONJSA-N 2 0 273.377 -0.253 20 0 CBADRP O=C1CN(C2C[NH+](CC3CC[NH2+]CC3)C2)CCN1 ZINC001207439033 824427391 /nfs/dbraw/zinc/42/73/91/824427391.db2.gz IUIKWMQLFHLXTG-UHFFFAOYSA-N 2 0 252.362 -0.898 20 0 CBADRP CC1(C)C[N@H+](CC2CC[NH2+]CC2)CCN1CC(N)=O ZINC001207438731 824427931 /nfs/dbraw/zinc/42/79/31/824427931.db2.gz GCGHXXOKQLQRLG-UHFFFAOYSA-N 2 0 268.405 -0.133 20 0 CBADRP COC(=O)[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCN1C(C)=O ZINC001207441989 824427960 /nfs/dbraw/zinc/42/79/60/824427960.db2.gz OYFGDVNZHVZOGN-CYBMUJFWSA-N 2 0 283.372 -0.308 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207684213 824434224 /nfs/dbraw/zinc/43/42/24/824434224.db2.gz KNUUJWUGHJMKOU-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001208328824 824450768 /nfs/dbraw/zinc/45/07/68/824450768.db2.gz INSHLAQJPBYQRR-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001208423428 824451842 /nfs/dbraw/zinc/45/18/42/824451842.db2.gz KCVBPWNELJYJMF-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001208423427 824452033 /nfs/dbraw/zinc/45/20/33/824452033.db2.gz KCVBPWNELJYJMF-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496385 824455236 /nfs/dbraw/zinc/45/52/36/824455236.db2.gz RIXIZLGHTVICOJ-FRRDWIJNSA-N 2 0 298.431 -0.149 20 0 CBADRP C[NH+](C)CCN1CC[N@H+](CCN2CCOCC2)CCC1=O ZINC001209293073 824467041 /nfs/dbraw/zinc/46/70/41/824467041.db2.gz DIRIGZITYNKOGM-UHFFFAOYSA-N 2 0 298.431 -0.586 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001209303508 824468762 /nfs/dbraw/zinc/46/87/62/824468762.db2.gz KUAFPYVXFIYZOB-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCC[C@H]([NH2+]CCO)C2)CC1 ZINC001209304539 824468883 /nfs/dbraw/zinc/46/88/83/824468883.db2.gz QQBNGEXSOIBNMK-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001209444239 824470863 /nfs/dbraw/zinc/47/08/63/824470863.db2.gz DZOMJNYYTIHWFQ-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001209484382 824471942 /nfs/dbraw/zinc/47/19/42/824471942.db2.gz HYCILFFLXMHZGC-GXTWGEPZSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209454468 824472117 /nfs/dbraw/zinc/47/21/17/824472117.db2.gz LRORKHAKHAKBQW-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001210217675 824478484 /nfs/dbraw/zinc/47/84/84/824478484.db2.gz LACUKRGZPQPNGP-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP Nc1cn(-c2cc[nH+]c(N3CC[NH2+]CC3)c2)nc1N ZINC001210262875 824478865 /nfs/dbraw/zinc/47/88/65/824478865.db2.gz STMIPIXMBATFLD-UHFFFAOYSA-N 2 0 259.317 -0.159 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](C)O)C[C@H]1OC ZINC001213678492 824515116 /nfs/dbraw/zinc/51/51/16/824515116.db2.gz YTFWVTMIHRGRPE-YNEHKIRRSA-N 2 0 287.404 -0.476 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1OC ZINC001213769234 824516023 /nfs/dbraw/zinc/51/60/23/824516023.db2.gz KLYSOLDWUZZZDZ-VXGBXAGGSA-N 2 0 273.377 -0.864 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](C)O)C[C@H]1OC ZINC001213767271 824516280 /nfs/dbraw/zinc/51/62/80/824516280.db2.gz KYNVMUOUKNUANH-YNEHKIRRSA-N 2 0 287.404 -0.476 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214335897 824528690 /nfs/dbraw/zinc/52/86/90/824528690.db2.gz METJZZCZOOZJNB-UTUOFQBUSA-N 2 0 282.388 -0.737 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001214952641 824537087 /nfs/dbraw/zinc/53/70/87/824537087.db2.gz FWTNFXRNTPHJJP-JHJVBQTASA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cnnn1C ZINC001215456391 824541342 /nfs/dbraw/zinc/54/13/42/824541342.db2.gz TUCIRSWUNVTSPY-DGCLKSJQSA-N 2 0 294.403 -0.297 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001215461151 824541397 /nfs/dbraw/zinc/54/13/97/824541397.db2.gz UFPJHRXVBGYQBH-IJLUTSLNSA-N 2 0 282.388 -0.737 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCCO ZINC001215458849 824541607 /nfs/dbraw/zinc/54/16/07/824541607.db2.gz NCJUIWBTYZVUOU-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CC(N)=O ZINC001215563769 824542890 /nfs/dbraw/zinc/54/28/90/824542890.db2.gz NQZBWRUPQJRRJC-VXGBXAGGSA-N 2 0 298.431 -0.114 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001215571229 824543722 /nfs/dbraw/zinc/54/37/22/824543722.db2.gz FWTNFXRNTPHJJP-UPJWGTAASA-N 2 0 298.431 -0.101 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754053 824548993 /nfs/dbraw/zinc/54/89/93/824548993.db2.gz FSARDYZTUGWCJB-JHJVBQTASA-N 2 0 296.415 -0.489 20 0 CBADRP C(O[C@@H]1C[NH2+]CCOC1)[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217785412 824560597 /nfs/dbraw/zinc/56/05/97/824560597.db2.gz KWYUPARNDRHAJA-XQHKEYJVSA-N 2 0 256.346 -0.242 20 0 CBADRP C(O[C@H]1COC2(C[NH2+]C2)C1)[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217793055 824560885 /nfs/dbraw/zinc/56/08/85/824560885.db2.gz LXYQSCXORSBSQD-LPWJVIDDSA-N 2 0 268.357 -0.099 20 0 CBADRP C(O[C@H]1C[NH2+]CCOC1)[C@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217785409 824561271 /nfs/dbraw/zinc/56/12/71/824561271.db2.gz KWYUPARNDRHAJA-RNJOBUHISA-N 2 0 256.346 -0.242 20 0 CBADRP NC(=O)[C@@H]([NH3+])Cc1ccc(O[C@@H]2C[NH2+]C[C@@H]2F)cc1 ZINC001218001135 824564628 /nfs/dbraw/zinc/56/46/28/824564628.db2.gz PGTRAZXXUZRSQE-SDDRHHMPSA-N 2 0 267.304 -0.270 20 0 CBADRP NC(=O)[C@@H]([NH3+])Cc1ccc(O[C@H]2COC3(C[NH2+]C3)C2)cc1 ZINC001218062309 824564647 /nfs/dbraw/zinc/56/46/47/824564647.db2.gz KSKJAFPUJQJRIR-OLZOCXBDSA-N 2 0 291.351 -0.449 20 0 CBADRP NC(=O)[C@@H]([NH3+])Cc1ccc(O[C@@H]2CN3C[C@H]2[NH2+]CC3)cc1 ZINC001218111918 824564840 /nfs/dbraw/zinc/56/48/40/824564840.db2.gz YBUOANPWKGPXPZ-BFHYXJOUSA-N 2 0 290.367 -0.924 20 0 CBADRP NC(=O)[C@@H]([NH3+])Cc1ccc(OC[C@H]2C[NH2+]CCCO2)cc1 ZINC001218301286 824567564 /nfs/dbraw/zinc/56/75/64/824567564.db2.gz CGEQBWYARYGVJI-KGLIPLIRSA-N 2 0 293.367 -0.201 20 0 CBADRP Cc1cnc(C)c(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001218495317 824568971 /nfs/dbraw/zinc/56/89/71/824568971.db2.gz DLKDCXRNQVIHME-GFCCVEGCSA-N 2 0 292.387 -0.218 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ncn(C)c2ncnc1-2 ZINC001218494804 824569123 /nfs/dbraw/zinc/56/91/23/824569123.db2.gz DSYANWZKBDIVAW-VIFPVBQESA-N 2 0 291.359 -0.030 20 0 CBADRP Cn1cnc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c2ncnc1-2 ZINC001218494468 824569504 /nfs/dbraw/zinc/56/95/04/824569504.db2.gz HYSZJKPZESPCJF-VIFPVBQESA-N 2 0 289.343 -0.420 20 0 CBADRP Cc1cnc(C)c(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001218496856 824570936 /nfs/dbraw/zinc/57/09/36/824570936.db2.gz PUVSNGLDCDDPAH-JTQLQIEISA-N 2 0 261.329 -0.159 20 0 CBADRP Cc1c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cnn1C ZINC001218504294 824573851 /nfs/dbraw/zinc/57/38/51/824573851.db2.gz DUXSBPCOKJAEJR-NSHDSACASA-N 2 0 280.376 -0.583 20 0 CBADRP COC(=O)c1ccc(NC(=O)[C@H]([NH3+])CCC[NH3+])cn1 ZINC001218510292 824575923 /nfs/dbraw/zinc/57/59/23/824575923.db2.gz SFVFEYVLQLXWCG-SECBINFHSA-N 2 0 266.301 -0.127 20 0 CBADRP CCOC(=O)c1cc(NC(=O)[C@H]([NH3+])CCC[NH3+])[nH]n1 ZINC001218511197 824577889 /nfs/dbraw/zinc/57/78/89/824577889.db2.gz SKKACTIWCJZIIM-SSDOTTSWSA-N 2 0 269.305 -0.409 20 0 CBADRP Cc1c[nH]nc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218515643 824579058 /nfs/dbraw/zinc/57/90/58/824579058.db2.gz SWIPRRNCIVPGPH-JTQLQIEISA-N 2 0 266.349 -0.593 20 0 CBADRP O=C(Nc1n[nH]c(-c2ccncc2)n1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218522205 824580263 /nfs/dbraw/zinc/58/02/63/824580263.db2.gz DZWYGXOCQMAABN-JTQLQIEISA-N 2 0 299.338 -0.386 20 0 CBADRP Cc1cc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])n2ncnc2n1 ZINC001218528363 824584450 /nfs/dbraw/zinc/58/44/50/824584450.db2.gz SMICWFNGUDTPAH-VIFPVBQESA-N 2 0 277.332 -0.172 20 0 CBADRP COc1cc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])ncn1 ZINC001218534488 824585349 /nfs/dbraw/zinc/58/53/49/824585349.db2.gz BFHOVFVEILNJNG-ZETCQYMHSA-N 2 0 271.346 -0.557 20 0 CBADRP [NH3+]CCNCC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218534417 824586128 /nfs/dbraw/zinc/58/61/28/824586128.db2.gz SVCKVTYQRQDRFU-ZETCQYMHSA-N 2 0 269.374 -0.554 20 0 CBADRP CCOC(=O)c1cc[nH]c1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218541262 824586818 /nfs/dbraw/zinc/58/68/18/824586818.db2.gz PVUJPSXTUQNYMG-SNVBAGLBSA-N 2 0 292.339 -0.061 20 0 CBADRP N=c1scc(N)n1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218541492 824587112 /nfs/dbraw/zinc/58/71/12/824587112.db2.gz PIPKBNKVQOXTPW-MRVPVSSYSA-N 2 0 284.389 -0.998 20 0 CBADRP Cc1noc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c1C(N)=O ZINC001218551302 824588642 /nfs/dbraw/zinc/58/86/42/824588642.db2.gz LQHVYUJJKVJBFL-ZETCQYMHSA-N 2 0 269.305 -0.523 20 0 CBADRP CSc1nc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cc(=O)[nH]1 ZINC001218584555 824598857 /nfs/dbraw/zinc/59/88/57/824598857.db2.gz SVAOMXHCUSRYFE-SSDOTTSWSA-N 2 0 295.368 -0.348 20 0 CBADRP COCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218582083 824599362 /nfs/dbraw/zinc/59/93/62/824599362.db2.gz LVVYMOHKECPETB-QWHCGFSZSA-N 2 0 285.388 -0.504 20 0 CBADRP COc1ncc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)cn1 ZINC001218593772 824600614 /nfs/dbraw/zinc/60/06/14/824600614.db2.gz OFDKOYYKECTFCL-SNVBAGLBSA-N 2 0 265.317 -0.249 20 0 CBADRP CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600925 824601379 /nfs/dbraw/zinc/60/13/79/824601379.db2.gz SZICRMIGWLNMPP-NWDGAFQWSA-N 2 0 255.362 -0.130 20 0 CBADRP COC[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600820 824602563 /nfs/dbraw/zinc/60/25/63/824602563.db2.gz PFNONBSRFGSGHU-MELADBBJSA-N 2 0 299.415 -0.115 20 0 CBADRP CC(=O)Nc1cc(NC(=O)[C@H]([NH3+])CCC[NH3+])ncn1 ZINC001218611463 824603679 /nfs/dbraw/zinc/60/36/79/824603679.db2.gz XZLVAWJROKJPFH-MRVPVSSYSA-N 2 0 266.305 -0.560 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])c1nccnc1N ZINC001218623157 824605965 /nfs/dbraw/zinc/60/59/65/824605965.db2.gz AUHGLVOTDUEXRJ-ZETCQYMHSA-N 2 0 270.362 -0.959 20 0 CBADRP Nc1cnc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])cn1 ZINC001218623363 824607164 /nfs/dbraw/zinc/60/71/64/824607164.db2.gz JNKRMWARXIIITR-LURJTMIESA-N 2 0 256.335 -0.984 20 0 CBADRP O=C(Nc1cn[nH]c(=O)c1Cl)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218630425 824608400 /nfs/dbraw/zinc/60/84/00/824608400.db2.gz DGASVRGDDMHCNE-LURJTMIESA-N 2 0 283.719 -0.417 20 0 CBADRP COC(=O)c1n[nH]c(C)c1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218641135 824612924 /nfs/dbraw/zinc/61/29/24/824612924.db2.gz VBQDHVLYZZYFMX-QMMMGPOBSA-N 2 0 283.332 -0.100 20 0 CBADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001218640273 824612931 /nfs/dbraw/zinc/61/29/31/824612931.db2.gz GZHPOCYMDFASNC-TVYUQYBPSA-N 2 0 291.355 -0.267 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218641795 824613030 /nfs/dbraw/zinc/61/30/30/824613030.db2.gz VNWSMTLSIYXVTG-UHFFFAOYSA-N 2 0 279.348 -0.381 20 0 CBADRP O=C(Nc1cc(=O)[n-]c(Cl)n1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218648555 824614185 /nfs/dbraw/zinc/61/41/85/824614185.db2.gz WIZPHZWCFKTSAJ-JMCQJSRRSA-N 2 0 297.746 -0.027 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1cn[nH]c(=O)c1 ZINC001218652620 824615633 /nfs/dbraw/zinc/61/56/33/824615633.db2.gz MEXWQGSYQSWMRX-QMMMGPOBSA-N 2 0 253.306 -0.033 20 0 CBADRP O=C(Nc1ccn2cnnc2c1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218657214 824617356 /nfs/dbraw/zinc/61/73/56/824617356.db2.gz DYKKBOYEKCZEIM-JTQLQIEISA-N 2 0 272.312 -0.523 20 0 CBADRP COc1ncnc(NC(=O)[C@@H]([NH3+])CCC[NH3+])c1OC ZINC001218653677 824617440 /nfs/dbraw/zinc/61/74/40/824617440.db2.gz XVNNUKWXHMMHIY-ZETCQYMHSA-N 2 0 269.305 -0.502 20 0 CBADRP CCOc1cc(N)n(C(=O)[C@H]([NH3+])CCC[NH3+])c(=N)n1 ZINC001218681636 824622201 /nfs/dbraw/zinc/62/22/01/824622201.db2.gz XWERPSHSMSBBQZ-SSDOTTSWSA-N 2 0 268.321 -0.950 20 0 CBADRP Cc1c(NC(=O)[C@@H]([NH3+])CSCC[NH3+])ncn1C ZINC001218691291 824622326 /nfs/dbraw/zinc/62/23/26/824622326.db2.gz ITNJPVOHUCIVNC-QMMMGPOBSA-N 2 0 257.363 -0.314 20 0 CBADRP [NH3+]Cc1cncc(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)c1 ZINC001218705495 824626505 /nfs/dbraw/zinc/62/65/05/824626505.db2.gz REIOBQJUOMDTJB-ZMLRMANQSA-N 2 0 261.329 -0.571 20 0 CBADRP O=C(Nc1cc([C@@H]2CCC[NH2+]2)no1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218711656 824627779 /nfs/dbraw/zinc/62/77/79/824627779.db2.gz LVMRBJYOEQMOST-ZJUUUORDSA-N 3 0 291.355 -0.153 20 0 CBADRP O=C(Nc1cc([C@H]2CCC[NH2+]2)no1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001218713599 824628135 /nfs/dbraw/zinc/62/81/35/824628135.db2.gz SWCYAYDOGUWGEF-BSJXLVFVSA-N 2 0 291.355 -0.013 20 0 CBADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@H]1C[NH2+]C[C@@H]1O ZINC001218728190 824629221 /nfs/dbraw/zinc/62/92/21/824629221.db2.gz UJPQSIPHVNMABN-WOPDTQHZSA-N 2 0 292.339 -0.659 20 0 CBADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001218728189 824629519 /nfs/dbraw/zinc/62/95/19/824629519.db2.gz UJPQSIPHVNMABN-UTUOFQBUSA-N 2 0 292.339 -0.659 20 0 CBADRP CCN=c1ncc(N)cn1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218740213 824630797 /nfs/dbraw/zinc/63/07/97/824630797.db2.gz VTFJPWJGJWVHKO-LLVKDONJSA-N 2 0 278.360 -0.647 20 0 CBADRP O=C(Nc1cn(CCF)cn1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218743467 824631824 /nfs/dbraw/zinc/63/18/24/824631824.db2.gz UAXLJFLFPUBKRI-VIFPVBQESA-N 2 0 267.308 -0.400 20 0 CBADRP Cc1cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n(CCF)n1 ZINC001218743779 824632617 /nfs/dbraw/zinc/63/26/17/824632617.db2.gz NRWKWEDVCJRHLK-JTQLQIEISA-N 2 0 281.335 -0.091 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1cc2n(n1)CC(F)(F)CO2 ZINC001218751164 824633160 /nfs/dbraw/zinc/63/31/60/824633160.db2.gz CGXVWBYHGVMESE-ZETCQYMHSA-N 2 0 289.286 -0.085 20 0 CBADRP Cc1cnn(CCO)c1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218753516 824634176 /nfs/dbraw/zinc/63/41/76/824634176.db2.gz GYMAWJHQQLXJLW-SECBINFHSA-N 2 0 255.322 -0.811 20 0 CBADRP CCOC(=O)c1nc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c[nH]1 ZINC001218765457 824635454 /nfs/dbraw/zinc/63/54/54/824635454.db2.gz UBHZEWQWROADON-JTQLQIEISA-N 2 0 295.343 -0.148 20 0 CBADRP CNC(=O)c1cccnc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218764222 824636358 /nfs/dbraw/zinc/63/63/58/824636358.db2.gz NUNPUDWSJGIVMU-VIFPVBQESA-N 2 0 265.317 -0.554 20 0 CBADRP CCc1c(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c(C(N)=O)nn1C ZINC001218787440 824637780 /nfs/dbraw/zinc/63/77/80/824637780.db2.gz BNNWXVXQLSGMNI-QMMMGPOBSA-N 2 0 296.375 -0.524 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)Nc1c[nH]ccc1=O ZINC001218796120 824639889 /nfs/dbraw/zinc/63/98/89/824639889.db2.gz RPJLBMDJHPZLOZ-VIFPVBQESA-N 2 0 261.285 -0.383 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1cnn2c1OCCC2 ZINC001218794245 824640181 /nfs/dbraw/zinc/64/01/81/824640181.db2.gz OPIPUIKWHDCQIK-QMMMGPOBSA-N 2 0 253.306 -0.330 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C(=O)NCCO2 ZINC001218816847 824641966 /nfs/dbraw/zinc/64/19/66/824641966.db2.gz LNYSDVNAQUNZLE-LLVKDONJSA-N 2 0 292.339 -0.187 20 0 CBADRP Nc1cccc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001218826047 824642655 /nfs/dbraw/zinc/64/26/55/824642655.db2.gz ZZHJCUXIPQRMLL-CYBMUJFWSA-N 2 0 277.372 -0.042 20 0 CBADRP O=C(Nc1ccccc1CO)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218829541 824642666 /nfs/dbraw/zinc/64/26/66/824642666.db2.gz IQHHZKDPKLXAHT-NSHDSACASA-N 2 0 261.325 -0.074 20 0 CBADRP Nc1ccc(NC(=O)[C@H]([NH3+])CCC[NH3+])c(CCO)c1 ZINC001218919842 824648153 /nfs/dbraw/zinc/64/81/53/824648153.db2.gz SAVXRDHRAXROCN-LLVKDONJSA-N 2 0 266.345 -0.192 20 0 CBADRP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@H]1C[NH2+]C[C@@H]1O ZINC001218936549 824648642 /nfs/dbraw/zinc/64/86/42/824648642.db2.gz ATOXKPWNJMIJMY-KBPBESRZSA-N 2 0 275.352 -0.106 20 0 CBADRP [NH3+]CCNCC(=O)Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001218938900 824648728 /nfs/dbraw/zinc/64/87/28/824648728.db2.gz XBVCBDULVMGWNO-UHFFFAOYSA-N 2 0 262.357 -0.138 20 0 CBADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@@H]1C[NH2+]C[C@H]1O ZINC001219027943 824652474 /nfs/dbraw/zinc/65/24/74/824652474.db2.gz IWAZLYCCZMMDFN-VXGBXAGGSA-N 2 0 277.324 -0.313 20 0 CBADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1[NH2+]CC[C@H]1O ZINC001219029464 824653428 /nfs/dbraw/zinc/65/34/28/824653428.db2.gz ACEQQOMBNYRSAV-YPMHNXCESA-N 2 0 277.324 -0.170 20 0 CBADRP COc1ccc(CO)c(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001219074418 824653594 /nfs/dbraw/zinc/65/35/94/824653594.db2.gz JNWHKLMZQWWNGH-GFCCVEGCSA-N 2 0 291.351 -0.065 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2CN(CCO)C[C@@H]21 ZINC001219055084 824654170 /nfs/dbraw/zinc/65/41/70/824654170.db2.gz VUFPABVECIJNCS-QWHCGFSZSA-N 2 0 285.388 -0.770 20 0 CBADRP O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@H]1[NH2+]CC[C@@H]1O ZINC001219117913 824664634 /nfs/dbraw/zinc/66/46/34/824664634.db2.gz HILUWPJVYUVGMQ-KBPBESRZSA-N 2 0 290.367 -0.243 20 0 CBADRP N[C@@H](C[NH3+])C(=O)Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC001219233377 824679496 /nfs/dbraw/zinc/67/94/96/824679496.db2.gz NBQOJVNQXKTBSY-GWCFXTLKSA-N 2 0 277.372 -0.161 20 0 CBADRP NC(=O)c1cc(O)cc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c1 ZINC001219441734 824710924 /nfs/dbraw/zinc/71/09/24/824710924.db2.gz PDXQREVARGQEEL-LBPRGKRZSA-N 2 0 292.339 -0.244 20 0 CBADRP O=C(Nc1ccc2[nH]c(=O)cnc2c1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219437953 824710987 /nfs/dbraw/zinc/71/09/87/824710987.db2.gz GASCBEYHAVYKMC-SNVBAGLBSA-N 2 0 299.334 -0.329 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@@H]2O3)C1 ZINC001219537884 824722849 /nfs/dbraw/zinc/72/28/49/824722849.db2.gz RBJMCKZSSKHMRQ-PLKZCJTGSA-N 2 0 288.351 -0.238 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219537301 824723804 /nfs/dbraw/zinc/72/38/04/824723804.db2.gz KVYALGNBGUKSLX-VDDIYKPWSA-N 2 0 276.340 -0.251 20 0 CBADRP N[C@@H](C[NH3+])C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219538150 824724511 /nfs/dbraw/zinc/72/45/11/824724511.db2.gz VOSKIMOARDGXCY-DKCNOQQISA-N 2 0 262.313 -0.641 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@@H]2O3)C1 ZINC001219542358 824724616 /nfs/dbraw/zinc/72/46/16/824724616.db2.gz RBJMCKZSSKHMRQ-PZEZNAACSA-N 2 0 288.351 -0.238 20 0 CBADRP O=C(Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2)[C@H]1[NH2+]CC[C@@H]1O ZINC001219540212 824725325 /nfs/dbraw/zinc/72/53/25/824725325.db2.gz FCHOCXPQZUKSCB-JDVFRBCBSA-N 2 0 289.335 -0.204 20 0 CBADRP C[NH+](C)CCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219553706 824727723 /nfs/dbraw/zinc/72/77/23/824727723.db2.gz HNAIJNYMIJRGNZ-NSHDSACASA-N 3 0 254.378 -0.462 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219555771 824729786 /nfs/dbraw/zinc/72/97/86/824729786.db2.gz RPGCJFZTIXYUFH-AAEUAGOBSA-N 2 0 254.378 -0.604 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C[NH2+]1 ZINC001219582903 824736696 /nfs/dbraw/zinc/73/66/96/824736696.db2.gz NUFQSTOBUNEDHA-MRBYEJRBSA-N 2 0 252.362 -0.805 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)CCCCNC(N)=[NH2+])C[NH2+]1 ZINC001219587170 824737919 /nfs/dbraw/zinc/73/79/19/824737919.db2.gz TVGCZKHCNPTYBS-UWVGGRQHSA-N 2 0 255.366 -0.104 20 0 CBADRP C[C@H]1CC[NH2+][C@H](C(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001219593752 824739289 /nfs/dbraw/zinc/73/92/89/824739289.db2.gz HIBHUZNSGMWALP-IUCAKERBSA-N 2 0 263.363 -0.879 20 0 CBADRP Cc1cc(CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)no1 ZINC001219604041 824850783 /nfs/dbraw/zinc/85/07/83/824850783.db2.gz IFVNUHJQQFLJFT-NSHDSACASA-N 2 0 252.318 -0.074 20 0 CBADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1[NH2+]CC[C@@H]1O ZINC001219614432 824854005 /nfs/dbraw/zinc/85/40/05/824854005.db2.gz ZPJPMUWJUCGSTK-ACLDMZEESA-N 2 0 267.251 -0.880 20 0 CBADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219610814 824854098 /nfs/dbraw/zinc/85/40/98/824854098.db2.gz RZSZEUQHAQIVNU-GZMMTYOYSA-N 3 0 292.305 -0.794 20 0 CBADRP N[C@@]1(C(=O)N[C@]2(C(F)(F)F)CC[NH2+]C2)CCC[NH2+]C1 ZINC001219610259 824854706 /nfs/dbraw/zinc/85/47/06/824854706.db2.gz MCESONJHNJUCMR-VHSXEESVSA-N 2 0 280.294 -0.522 20 0 CBADRP CC[C@]1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CCC[NH2+]C1 ZINC001219617351 824856229 /nfs/dbraw/zinc/85/62/29/824856229.db2.gz LJDKZWLEKYERKJ-FPMFFAJLSA-N 2 0 287.379 -0.055 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1CCCC[NH2+]C1 ZINC001219618095 824858143 /nfs/dbraw/zinc/85/81/43/824858143.db2.gz UJQCJSIBYHKGRR-GMXVVIOVSA-N 2 0 273.352 -0.445 20 0 CBADRP [NH3+][C@@H](C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1ccccc1 ZINC001219618145 824858378 /nfs/dbraw/zinc/85/83/78/824858378.db2.gz WMKGZNWJUZSINM-OUCADQQQSA-N 2 0 281.331 -0.135 20 0 CBADRP CC1(C)C[NH2+][C@](C)(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219617980 824858422 /nfs/dbraw/zinc/85/84/22/824858422.db2.gz SVAXNJQQCKYJNV-LEWSCRJBSA-N 2 0 287.379 -0.057 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[NH2+]CCC1(F)F ZINC001219619996 824858441 /nfs/dbraw/zinc/85/84/41/824858441.db2.gz TWSZWOHGRTYNTH-ATZCPNFKSA-N 2 0 295.305 -0.590 20 0 CBADRP C[NH+]1CCC(C)(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC1 ZINC001219619514 824859034 /nfs/dbraw/zinc/85/90/34/824859034.db2.gz IUOSVGXKHCVLDL-SMDDNHRTSA-N 2 0 287.379 -0.103 20 0 CBADRP C[C@@]1(CC(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC[NH2+]C1 ZINC001219618134 824859174 /nfs/dbraw/zinc/85/91/74/824859174.db2.gz VYSRTQAUBRGCLN-WCFLWFBJSA-N 2 0 273.352 -0.445 20 0 CBADRP CC1(C)[C@H](C[NH3+])C[C@@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219619679 824859240 /nfs/dbraw/zinc/85/92/40/824859240.db2.gz NAKUGWACLDNYFS-BBGACYKPSA-N 2 0 287.379 -0.214 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]C1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617910 824859519 /nfs/dbraw/zinc/85/95/19/824859519.db2.gz QFRRAUHHDQIZBE-NTZNESFSSA-N 2 0 273.352 -0.445 20 0 CBADRP O=C(C[C@H]1CC[NH2+]C[C@@H]1F)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219619258 824859746 /nfs/dbraw/zinc/85/97/46/824859746.db2.gz DUBVVDWCKPPGQW-MPPDQPJWSA-N 2 0 291.342 -0.497 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1ccccc1 ZINC001219618146 824859826 /nfs/dbraw/zinc/85/98/26/824859826.db2.gz WMKGZNWJUZSINM-SGMGOOAPSA-N 2 0 281.331 -0.135 20 0 CBADRP CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC1 ZINC001219618165 824859859 /nfs/dbraw/zinc/85/98/59/824859859.db2.gz XDEXEKWHRVJSMD-GXTWGEPZSA-N 2 0 287.379 -0.103 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219621937 824860852 /nfs/dbraw/zinc/86/08/52/824860852.db2.gz JZHFNYQEFCRDEG-GBIKHYSHSA-N 2 0 273.352 -0.589 20 0 CBADRP C[C@]1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CCC[NH2+]1 ZINC001219620279 824861020 /nfs/dbraw/zinc/86/10/20/824861020.db2.gz YWOOWZCOSJPWTB-MVWJERBFSA-N 2 0 259.325 -0.693 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219768174 824892384 /nfs/dbraw/zinc/89/23/84/824892384.db2.gz KPORRPJDKSWOCK-GXSJLCMTSA-N 2 0 261.297 -0.915 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1noc2c1C[NH2+]CC2 ZINC001219628254 824865999 /nfs/dbraw/zinc/86/59/99/824865999.db2.gz UBWHGQDHPZRFOO-GXFFZTMASA-N 2 0 298.318 -0.887 20 0 CBADRP [NH3+]Cc1cccc(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)c1 ZINC001219628487 824866451 /nfs/dbraw/zinc/86/64/51/824866451.db2.gz VTPOLZWACFRXQY-GXTWGEPZSA-N 2 0 281.331 -0.062 20 0 CBADRP Cn1cnc(CCNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c1 ZINC001219634528 824868963 /nfs/dbraw/zinc/86/89/63/824868963.db2.gz ZAVNOLMEONZWRD-BXUZGUMPSA-N 2 0 277.372 -0.722 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@]23C[NH2+][C@@H](CO2)C3)C1 ZINC001219640823 824869302 /nfs/dbraw/zinc/86/93/02/824869302.db2.gz CGFLHCYMMFVTRB-PRULPYPASA-N 2 0 253.346 -0.521 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001219641928 824869410 /nfs/dbraw/zinc/86/94/10/824869410.db2.gz MZJJBTTYQHWYNH-GARJFASQSA-N 2 0 285.392 -0.876 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2C[NH2+]CC[C@H]2O)C1 ZINC001219642323 824869845 /nfs/dbraw/zinc/86/98/45/824869845.db2.gz RPJPDCXRPCWLSM-WHOHXGKFSA-N 2 0 255.362 -0.681 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])CCCNC(N)=O)C1 ZINC001219641931 824870628 /nfs/dbraw/zinc/87/06/28/824870628.db2.gz MZJJBTTYQHWYNH-MXWKQRLJSA-N 2 0 285.392 -0.876 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC001219651415 824872869 /nfs/dbraw/zinc/87/28/69/824872869.db2.gz VLHOULDEMXUUMY-QJPTWQEYSA-N 2 0 255.362 -0.273 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC001219650096 824873078 /nfs/dbraw/zinc/87/30/78/824873078.db2.gz MCPRITZAGNTUQO-TUAOUCFPSA-N 2 0 254.378 -0.748 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])CC[S@](C)=O)C1 ZINC001219649345 824873389 /nfs/dbraw/zinc/87/33/89/824873389.db2.gz IEIWMDZWGSPLGL-DPNGTGFASA-N 2 0 275.418 -0.556 20 0 CBADRP CCOC(=O)c1nc[nH]c1CNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001219673180 824876080 /nfs/dbraw/zinc/87/60/80/824876080.db2.gz FXVHVSZIRHKRMP-MRVPVSSYSA-N 2 0 283.332 -0.731 20 0 CBADRP C[C@@H]1C[C@@H](CNC(=O)[C@H]([NH3+])Cc2cnc[nH]2)C[NH2+]1 ZINC001219684489 824878605 /nfs/dbraw/zinc/87/86/05/824878605.db2.gz OKNVPYVTCDYIIB-FXPVBKGRSA-N 2 0 251.334 -0.606 20 0 CBADRP CCOC(=O)CCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219691462 824879618 /nfs/dbraw/zinc/87/96/18/824879618.db2.gz QGEBYVBYLHLBBH-ZWNOBZJWSA-N 2 0 269.345 -0.745 20 0 CBADRP O=C(NCCC1(O)C[NH2+]C1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001219697018 824881965 /nfs/dbraw/zinc/88/19/65/824881965.db2.gz OURAJUJLSIKGAX-ZDUSSCGKSA-N 2 0 275.352 -0.459 20 0 CBADRP CN1CCO[C@@H](CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001219695775 824882337 /nfs/dbraw/zinc/88/23/37/824882337.db2.gz YAVXKSMSMADVPK-STQMWFEESA-N 2 0 296.415 -0.693 20 0 CBADRP Cn1cccc1CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219698950 824882914 /nfs/dbraw/zinc/88/29/14/824882914.db2.gz KWDLXNUHOUAYSS-CYBMUJFWSA-N 2 0 279.388 -0.608 20 0 CBADRP CCCCC[C@H]([NH2+]C)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219697871 824883331 /nfs/dbraw/zinc/88/33/31/824883331.db2.gz ZIYCWDAYRLKRLQ-NSHDSACASA-N 2 0 257.378 -0.005 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1c[nH]c(=O)nc1N ZINC001219700802 824883939 /nfs/dbraw/zinc/88/39/39/824883939.db2.gz DTDQDPFTIMYHRI-QMMMGPOBSA-N 2 0 282.348 -0.238 20 0 CBADRP Cn1cccc1CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219699124 824883561 /nfs/dbraw/zinc/88/35/61/824883561.db2.gz SBQMOYKZSFPVOR-BXUZGUMPSA-N 2 0 262.357 -0.160 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1CC[C@@H](C(F)(F)F)C[NH2+]1 ZINC001219712764 824885238 /nfs/dbraw/zinc/88/52/38/824885238.db2.gz VZPKTLBGCAHZBV-BZNPZCIMSA-N 2 0 281.278 -0.634 20 0 CBADRP C[NH2+][C@H](C(=O)N[C@@H]1COC[C@@H]1[NH3+])[C@@H](C)OC(C)(C)C ZINC001219719998 824886312 /nfs/dbraw/zinc/88/63/12/824886312.db2.gz CSVLCVIEIAKTDS-YTWAJWBKSA-N 2 0 273.377 -0.380 20 0 CBADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C[NH2+]1 ZINC001219720393 824886805 /nfs/dbraw/zinc/88/68/05/824886805.db2.gz LFPZJVCSYPHAAP-RYPBNFRJSA-N 2 0 281.278 -0.241 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219736186 824888089 /nfs/dbraw/zinc/88/80/89/824888089.db2.gz BPNHKIOVRYHMDK-RYUDHWBXSA-N 2 0 267.373 -0.129 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741478 824888095 /nfs/dbraw/zinc/88/80/95/824888095.db2.gz LTDGGEDUORTGKH-GHMZBOCLSA-N 2 0 271.361 -0.887 20 0 CBADRP C[C@]1(C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)CC[NH2+]C1 ZINC001219738957 824888118 /nfs/dbraw/zinc/88/81/18/824888118.db2.gz CRACMUMKMQSFGA-JQWIXIFHSA-N 2 0 253.346 -0.519 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)CCC[NH2+]1 ZINC001219737338 824888194 /nfs/dbraw/zinc/88/81/94/824888194.db2.gz TUZXIANNROYCBG-ZYHUDNBSSA-N 2 0 253.346 -0.377 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1)C1CCC(O)CC1 ZINC001219737208 824888462 /nfs/dbraw/zinc/88/84/62/824888462.db2.gz QOAJNSFXKGLSMP-TYUFSLCMSA-N 2 0 297.399 -0.641 20 0 CBADRP C[C@@]1(C(=O)NCc2nnc3n2CCC[NH2+]C3)CC[NH2+]C1 ZINC001219748772 824889515 /nfs/dbraw/zinc/88/95/15/824889515.db2.gz BGRXJRRGTZJNSS-CYBMUJFWSA-N 2 0 278.360 -0.613 20 0 CBADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCc2nnc3n2CCC[NH2+]C3)C1 ZINC001219748948 824889566 /nfs/dbraw/zinc/88/95/66/824889566.db2.gz DVYMQWJQYAPLEQ-WDEREUQCSA-N 2 0 292.387 -0.224 20 0 CBADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1[NH2+]CC[C@@H]1O ZINC001219743475 824890103 /nfs/dbraw/zinc/89/01/03/824890103.db2.gz FBYOQASSRMGGJU-SRVKXCTJSA-N 2 0 283.372 -0.873 20 0 CBADRP O=C(C=C1CC[NH2+]CC1)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765871 824890998 /nfs/dbraw/zinc/89/09/98/824890998.db2.gz GAEWUUUUAOBJEL-KGLIPLIRSA-N 2 0 278.400 -0.294 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219767719 824891226 /nfs/dbraw/zinc/89/12/26/824891226.db2.gz CRNLDFCRTKPFNG-ZYHUDNBSSA-N 2 0 269.324 -0.513 20 0 CBADRP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219767765 824891338 /nfs/dbraw/zinc/89/13/38/824891338.db2.gz DVNNXXMRSSOCPW-KQXIARHKSA-N 2 0 270.352 -0.856 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)NC1CC2(C1)CC[NH2+]CC2 ZINC001219772929 824891907 /nfs/dbraw/zinc/89/19/07/824891907.db2.gz GJAZNRXRTDKCMA-UHFFFAOYSA-N 2 0 280.416 -0.024 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219768952 824892177 /nfs/dbraw/zinc/89/21/77/824892177.db2.gz RHZNHFSTKLIKHP-LBPRGKRZSA-N 2 0 273.356 -0.152 20 0 CBADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001219765932 824892197 /nfs/dbraw/zinc/89/21/97/824892197.db2.gz ILZGFAXKFADVKE-XQHKEYJVSA-N 2 0 284.379 -0.656 20 0 CBADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H]1CC[NH2+]C[C@@H]1F ZINC001219765931 824892245 /nfs/dbraw/zinc/89/22/45/824892245.db2.gz ILZGFAXKFADVKE-VOAKCMCISA-N 2 0 284.379 -0.656 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)CC[NH2+]C1 ZINC001219766305 824892347 /nfs/dbraw/zinc/89/23/47/824892347.db2.gz PHMVCEXBFXJROI-DYEKYZERSA-N 2 0 266.389 -0.604 20 0 CBADRP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219768713 824892368 /nfs/dbraw/zinc/89/23/68/824892368.db2.gz PLQUFNWIJWCNEO-MFKMUULPSA-N 3 0 270.352 -0.997 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219767775 824892392 /nfs/dbraw/zinc/89/23/92/824892392.db2.gz DWTAWVKKIRHQMX-CYBMUJFWSA-N 2 0 272.368 -0.464 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@]1(F)CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001219767632 824892401 /nfs/dbraw/zinc/89/24/01/824892401.db2.gz AOSGZZHUFNBOPX-AAEUAGOBSA-N 3 0 272.368 -0.479 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777873 824893429 /nfs/dbraw/zinc/89/34/29/824893429.db2.gz SNYDAACBKDGVKV-LBPRGKRZSA-N 2 0 294.399 -0.416 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1C[NH2+]C[C@H](O)C1 ZINC001219773467 824893582 /nfs/dbraw/zinc/89/35/82/824893582.db2.gz UAQFRTIRUGGHJM-CMPLNLGQSA-N 2 0 267.373 -0.395 20 0 CBADRP [NH3+][C@H](C(=O)NC1CC2(C1)CC[NH2+]CC2)C1CC[NH2+]CC1 ZINC001219777797 824893854 /nfs/dbraw/zinc/89/38/54/824893854.db2.gz QSAOGZSWUFHHRB-ZDUSSCGKSA-N 3 0 280.416 -0.038 20 0 CBADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@H]1CC[NH2+]C[C@@H]1F ZINC001219799999 824895707 /nfs/dbraw/zinc/89/57/07/824895707.db2.gz GAMVNMKRSRWPTB-WOPDTQHZSA-N 2 0 285.363 -0.181 20 0 CBADRP COCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219803674 824895758 /nfs/dbraw/zinc/89/57/58/824895758.db2.gz CUFBYIXWIREKCS-AGIUHOORSA-N 2 0 285.388 -0.866 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219801265 824895799 /nfs/dbraw/zinc/89/57/99/824895799.db2.gz WPRJGVAIFLNMKG-GFCCVEGCSA-N 2 0 296.415 -0.787 20 0 CBADRP C[C@]1(C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)CC[NH2+]C1 ZINC001219803510 824896203 /nfs/dbraw/zinc/89/62/03/824896203.db2.gz WCPLBCMOQIJZGE-YPMHNXCESA-N 2 0 267.373 -0.129 20 0 CBADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)C1CC2(C[NH2+]C2)C1 ZINC001219800822 824896309 /nfs/dbraw/zinc/89/63/09/824896309.db2.gz NWUMGNXEWLGHCV-GFCCVEGCSA-N 2 0 279.384 -0.129 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219799792 824896412 /nfs/dbraw/zinc/89/64/12/824896412.db2.gz COYDRZBPMBIREX-STQMWFEESA-N 3 0 298.431 -0.282 20 0 CBADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001219811701 824897013 /nfs/dbraw/zinc/89/70/13/824897013.db2.gz ZDQHJDHBXNAGTC-SCZZXKLOSA-N 2 0 282.319 -0.116 20 0 CBADRP O=C(NCc1noc2c1C[NH2+]CC2)C1CC[NH2+]CC1 ZINC001219811093 824897159 /nfs/dbraw/zinc/89/71/59/824897159.db2.gz JVKGWMBHHUZNPD-UHFFFAOYSA-N 2 0 264.329 -0.064 20 0 CBADRP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815809 824897238 /nfs/dbraw/zinc/89/72/38/824897238.db2.gz KWRBWOVMRMTUAL-BNOWGMLFSA-N 2 0 299.415 -0.333 20 0 CBADRP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219816126 824898047 /nfs/dbraw/zinc/89/80/47/824898047.db2.gz AAOBLEVRJFFHSH-CRWXNKLISA-N 2 0 275.352 -0.071 20 0 CBADRP [NH3+][C@@H](C(=O)NCc1noc2c1C[NH2+]CC2)C1CC[NH2+]CC1 ZINC001219811100 824898138 /nfs/dbraw/zinc/89/81/38/824898138.db2.gz KACDQXFPPLBUBS-CYBMUJFWSA-N 3 0 293.371 -0.737 20 0 CBADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001219813675 824898473 /nfs/dbraw/zinc/89/84/73/824898473.db2.gz ZAGZLGPMNHGIKB-BAYHKCFCSA-N 2 0 295.383 -0.894 20 0 CBADRP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@@H]1C[NH2+]C[C@H]1O ZINC001219818802 824898554 /nfs/dbraw/zinc/89/85/54/824898554.db2.gz NYSMBVCOGRTGLH-SYQHCUMBSA-N 2 0 275.352 -0.214 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831543 824899349 /nfs/dbraw/zinc/89/93/49/824899349.db2.gz OCFWZGFQHUBOKC-CLPYTZEMSA-N 2 0 267.373 -0.132 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)C1 ZINC001219831766 824899685 /nfs/dbraw/zinc/89/96/85/824899685.db2.gz XJQUPUQJMFUEKV-VEGXAWMVSA-N 2 0 267.373 -0.132 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001219826461 824900158 /nfs/dbraw/zinc/90/01/58/824900158.db2.gz RLMWZYHCUPWGQI-IUCAKERBSA-N 2 0 254.359 -0.315 20 0 CBADRP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@H]1C[NH2+]C[C@@H]1O ZINC001219825832 824900290 /nfs/dbraw/zinc/90/02/90/824900290.db2.gz NAQQVNHDJNFTEI-AEJSXWLSSA-N 2 0 267.354 -0.411 20 0 CBADRP C[NH2+]CCC(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837998 824901181 /nfs/dbraw/zinc/90/11/81/824901181.db2.gz NLSBGVUMAFWEOX-DGCLKSJQSA-N 2 0 271.361 -0.893 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)[NH+](C)C ZINC001219847057 824901275 /nfs/dbraw/zinc/90/12/75/824901275.db2.gz QHMONWKOGXAHNH-AGIUHOORSA-N 2 0 287.404 -0.884 20 0 CBADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001219852761 824902871 /nfs/dbraw/zinc/90/28/71/824902871.db2.gz ZEGVNZLMFBOSHC-FPYNETTCSA-N 2 0 285.363 -0.325 20 0 CBADRP O=C(CC1CC[NH2+]CC1)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854600 824903073 /nfs/dbraw/zinc/90/30/73/824903073.db2.gz MQYVQVZBWCHCAL-GRYCIOLGSA-N 2 0 253.346 -0.521 20 0 CBADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@H]1CC[NH2+]C[C@H]1F ZINC001219856504 824903474 /nfs/dbraw/zinc/90/34/74/824903474.db2.gz PGDBEXRBQUSTKT-UNQZSWDGSA-N 2 0 257.309 -0.963 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC001219865481 824904803 /nfs/dbraw/zinc/90/48/03/824904803.db2.gz PSENJANDQHPFQI-FRRDWIJNSA-N 2 0 263.341 -0.173 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1O)[NH+](C)C ZINC001219869889 824906020 /nfs/dbraw/zinc/90/60/20/824906020.db2.gz UZTQWZIBURHFBF-UTUOFQBUSA-N 2 0 273.377 -0.866 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877962 824907559 /nfs/dbraw/zinc/90/75/59/824907559.db2.gz VSUIKBBXEMJDFO-OLZOCXBDSA-N 2 0 299.415 -0.474 20 0 CBADRP [NH3+]CCNC(=O)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001219878245 824907857 /nfs/dbraw/zinc/90/78/57/824907857.db2.gz VHAVUANVXNMYCP-NSHDSACASA-N 2 0 290.327 -0.921 20 0 CBADRP CC[C@H](C)[C@@H](CO)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219882287 824908501 /nfs/dbraw/zinc/90/85/01/824908501.db2.gz AVAIKNNXXPWQHP-FMCLSXCISA-N 2 0 269.389 -0.291 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](C)C[NH+](C)C ZINC001219916410 824913221 /nfs/dbraw/zinc/91/32/21/824913221.db2.gz VDYMZVYUZYHCQJ-SRVKXCTJSA-N 2 0 286.420 -0.069 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001219916021 824913400 /nfs/dbraw/zinc/91/34/00/824913400.db2.gz IEGAWZUCUNLKJK-KOLCDFICSA-N 2 0 253.350 -0.644 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@@H](O)COc1ccccc1 ZINC001219917966 824914599 /nfs/dbraw/zinc/91/45/99/824914599.db2.gz ACQSEHOAXZAZRC-DGCLKSJQSA-N 2 0 281.356 -0.391 20 0 CBADRP C[NH+](C)CCCCCNC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219918262 824914701 /nfs/dbraw/zinc/91/47/01/824914701.db2.gz IYYZRSUPXWHBOI-GFCCVEGCSA-N 2 0 284.404 -0.835 20 0 CBADRP [NH3+][C@H](Cc1ccccc1F)C(=O)NCC[NH2+]CCO ZINC001219918460 824914898 /nfs/dbraw/zinc/91/48/98/824914898.db2.gz MLPJPTNCLPGYOH-GFCCVEGCSA-N 2 0 269.320 -0.606 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)NCCCCC[NH+](C)C ZINC001219919215 824914948 /nfs/dbraw/zinc/91/49/48/824914948.db2.gz ZORRNTBFTZDGGX-NSHDSACASA-N 2 0 259.350 -0.275 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001219919220 824915427 /nfs/dbraw/zinc/91/54/27/824915427.db2.gz ZPXSSYAPFVDEEG-ZDUSSCGKSA-N 2 0 263.341 -0.601 20 0 CBADRP C[NH+](C)CCCCCNC(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219917962 824915634 /nfs/dbraw/zinc/91/56/34/824915634.db2.gz AAHKNNWMYXYATK-TZMCWYRMSA-N 2 0 268.405 -0.214 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219929741 824916680 /nfs/dbraw/zinc/91/66/80/824916680.db2.gz QZNJHRVIDCDDON-ZDUSSCGKSA-N 2 0 292.383 -0.126 20 0 CBADRP Cc1nccn1CCNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219934936 824917604 /nfs/dbraw/zinc/91/76/04/824917604.db2.gz TZDFXYKWCMSSPM-NSHDSACASA-N 2 0 253.350 -0.236 20 0 CBADRP Cc1nonc1CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219948204 824920322 /nfs/dbraw/zinc/92/03/22/824920322.db2.gz ONFCBSPGRBUGAU-JTQLQIEISA-N 2 0 279.344 -0.132 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001219954876 824922630 /nfs/dbraw/zinc/92/26/30/824922630.db2.gz WGSJLOQOLAXPES-SWLSCSKDSA-N 2 0 280.416 -0.072 20 0 CBADRP NC(=O)c1ccc(CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)cc1 ZINC001219961128 824922808 /nfs/dbraw/zinc/92/28/08/824922808.db2.gz GAOMKSRUUXDXJN-ZDUSSCGKSA-N 2 0 290.367 -0.271 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1ccc2nonc2c1 ZINC001219962701 824924686 /nfs/dbraw/zinc/92/46/86/824924686.db2.gz GLPYYWYMHQHAEA-SECBINFHSA-N 2 0 263.301 -0.095 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCn1cccc1 ZINC001219972843 824925592 /nfs/dbraw/zinc/92/55/92/824925592.db2.gz XJZFXMOLVRKCAH-ZDUSSCGKSA-N 2 0 279.388 -0.645 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCCCc1c[nH][nH]c1=O ZINC001219970152 824925847 /nfs/dbraw/zinc/92/58/47/824925847.db2.gz VZBQKMBQKXDNEB-NEPJUHHUSA-N 2 0 297.403 -0.326 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCCCO1 ZINC001219978117 824927585 /nfs/dbraw/zinc/92/75/85/824927585.db2.gz DBOGGLIMGXCHJD-STQMWFEESA-N 2 0 284.404 -0.578 20 0 CBADRP O=C(NC[C@H]1CCCCO1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219978928 824927799 /nfs/dbraw/zinc/92/77/99/824927799.db2.gz VNLHZDFBKJQBPQ-GHMZBOCLSA-N 2 0 253.346 -0.519 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001219978984 824928787 /nfs/dbraw/zinc/92/87/87/824928787.db2.gz XHLAGFXOHDLHRD-OLZOCXBDSA-N 3 0 280.416 -0.357 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[C@@H]([NH3+])CN2)C1 ZINC001219980892 824929007 /nfs/dbraw/zinc/92/90/07/824929007.db2.gz QLQDLDPJCLQDIQ-UTUOFQBUSA-N 2 0 254.378 -0.476 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001219978966 824929564 /nfs/dbraw/zinc/92/95/64/824929564.db2.gz WWSYWMRMYBHSCV-NFAWXSAZSA-N 2 0 280.416 -0.214 20 0 CBADRP COC(=O)C1(NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)CC[NH2+]CC1 ZINC001219999245 824930442 /nfs/dbraw/zinc/93/04/42/824930442.db2.gz NYWAWTRWZASEKV-MNOVXSKESA-N 2 0 283.372 -0.214 20 0 CBADRP COC(=O)C1(NC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)CC[NH2+]CC1 ZINC001219999247 824930817 /nfs/dbraw/zinc/93/08/17/824930817.db2.gz NYWAWTRWZASEKV-WDEREUQCSA-N 2 0 283.372 -0.214 20 0 CBADRP CC(C)(C)OC[C@H](N)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220103457 824954818 /nfs/dbraw/zinc/95/48/18/824954818.db2.gz RYFWUQLOGOYPLA-VIFPVBQESA-N 2 0 273.381 -0.410 20 0 CBADRP CN1C[C@@H](NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CCC1=O ZINC001220006939 824932489 /nfs/dbraw/zinc/93/24/89/824932489.db2.gz FRIGCQRTZAOMGT-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP O=C(NC[C@H]1CCOC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220020287 824936183 /nfs/dbraw/zinc/93/61/83/824936183.db2.gz CYYFRERTGOVHJT-NQBHXWOUSA-N 2 0 253.346 -0.662 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1cccnn1 ZINC001220018896 824936611 /nfs/dbraw/zinc/93/66/11/824936611.db2.gz YNVRLSSPOSQEDK-VIFPVBQESA-N 2 0 255.347 -0.888 20 0 CBADRP CC(C)[C@@](C)(NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C(N)=O ZINC001220022816 824936968 /nfs/dbraw/zinc/93/69/68/824936968.db2.gz MSNPBDBTTTYVGO-LERXQTSPSA-N 2 0 282.388 -0.798 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@](C)(C(N)=O)C(C)C ZINC001220023419 824938134 /nfs/dbraw/zinc/93/81/34/824938134.db2.gz YFHFOSDOITVOSX-GXFFZTMASA-N 2 0 272.393 -0.280 20 0 CBADRP N=c1sc2c(n1C(=O)C[C@H]1COCC[NH2+]1)CC[C@H]([NH3+])C2 ZINC001220025604 824938140 /nfs/dbraw/zinc/93/81/40/824938140.db2.gz SKCLDJZQIAIOAL-IUCAKERBSA-N 2 0 296.396 -0.136 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)CNC1CC[NH2+]CC1 ZINC001220043384 824941699 /nfs/dbraw/zinc/94/16/99/824941699.db2.gz PGSJYHDILAATLF-UHFFFAOYSA-N 2 0 278.360 -0.889 20 0 CBADRP N=c1cc(C[NH3+])ccn1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220044971 824941890 /nfs/dbraw/zinc/94/18/90/824941890.db2.gz GQCYNBNHGICFCI-BXUZGUMPSA-N 3 0 275.356 -0.734 20 0 CBADRP COC(=O)C1(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCCC1 ZINC001220048430 824943248 /nfs/dbraw/zinc/94/32/48/824943248.db2.gz OFUBGSMOGMJBJE-BXUZGUMPSA-N 2 0 295.383 -0.213 20 0 CBADRP COC(=O)C1(NC(=O)[C@@H]([NH3+])CCC[NH3+])CCCC1 ZINC001220048302 824943648 /nfs/dbraw/zinc/94/36/48/824943648.db2.gz NFQWUTUOOJYAOP-VIFPVBQESA-N 2 0 257.334 -0.345 20 0 CBADRP COC(=O)CCCCCNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220048638 824943843 /nfs/dbraw/zinc/94/38/43/824943843.db2.gz SGDOPLFYVQSQPU-SNVBAGLBSA-N 2 0 259.350 -0.098 20 0 CBADRP C[NH2+]CCNC(=O)[C@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001220052791 824945922 /nfs/dbraw/zinc/94/59/22/824945922.db2.gz CNEZTPSFLLUKQG-ABAIWWIYSA-N 2 0 288.351 -0.569 20 0 CBADRP C[NH2+]CCNC(=O)c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O ZINC001220060119 824947607 /nfs/dbraw/zinc/94/76/07/824947607.db2.gz JNXGKRGNFAJPOW-CHWSQXEVSA-N 2 0 288.351 -0.565 20 0 CBADRP C[NH2+]CCNC(=O)c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O ZINC001220060120 824947677 /nfs/dbraw/zinc/94/76/77/824947677.db2.gz JNXGKRGNFAJPOW-OLZOCXBDSA-N 2 0 288.351 -0.565 20 0 CBADRP COC(=O)[C@H](CCSC)NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220079211 824949833 /nfs/dbraw/zinc/94/98/33/824949833.db2.gz CDPVQMVVNFAKDH-IUCAKERBSA-N 2 0 277.390 -0.537 20 0 CBADRP Cc1ncc(CO)c(CNC(=O)[C@H]([NH3+])CCC[NH3+])c1O ZINC001220092847 824953836 /nfs/dbraw/zinc/95/38/36/824953836.db2.gz GINGKZXFMOBLMT-LLVKDONJSA-N 2 0 282.344 -0.730 20 0 CBADRP CCCOCCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220101389 824955092 /nfs/dbraw/zinc/95/50/92/824955092.db2.gz LQAZOLMNSPAXLY-LBPRGKRZSA-N 2 0 272.393 -0.720 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C=C1CC[NH2+]CC1 ZINC001220103166 824955285 /nfs/dbraw/zinc/95/52/85/824955285.db2.gz JCZACKHNKQCMRF-UHFFFAOYSA-N 3 0 253.350 -0.243 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001220101311 824955478 /nfs/dbraw/zinc/95/54/78/824955478.db2.gz IBLVJBCVNOWROQ-IUCAKERBSA-N 3 0 259.329 -0.463 20 0 CBADRP NC(=[NH2+])N(C(=O)[C@]1(N)CC[NH2+]C1)c1ccccc1F ZINC001220106541 824956121 /nfs/dbraw/zinc/95/61/21/824956121.db2.gz RCPNHANZDAFVPY-LBPRGKRZSA-N 2 0 265.292 -0.257 20 0 CBADRP N=C(NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)SCC[NH3+] ZINC001220106216 824956553 /nfs/dbraw/zinc/95/65/53/824956553.db2.gz FSAGPYJPYXWHKQ-ZETCQYMHSA-N 2 0 256.335 -0.978 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@H](O)c1ccc(O)cc1 ZINC001220113003 824957925 /nfs/dbraw/zinc/95/79/25/824957925.db2.gz HTECABZSKLZLLE-NEPJUHHUSA-N 2 0 267.329 -0.392 20 0 CBADRP Cc1cnc(=O)[nH]c1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220124510 824960062 /nfs/dbraw/zinc/96/00/62/824960062.db2.gz AGIAABWSXXPHSN-ZETCQYMHSA-N 2 0 271.346 -0.552 20 0 CBADRP Cc1cnc(=O)[nH]c1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220122583 824960345 /nfs/dbraw/zinc/96/03/45/824960345.db2.gz KXHDKDSSAWVEAH-QMMMGPOBSA-N 2 0 263.301 -0.762 20 0 CBADRP [NH3+][C@H](C(=O)NCC1(F)CCOCC1)C1CC[NH2+]CC1 ZINC001220136987 824964112 /nfs/dbraw/zinc/96/41/12/824964112.db2.gz NCPKVMQBPZLBLE-NSHDSACASA-N 2 0 273.352 -0.052 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1cc[nH]c(=O)c1 ZINC001220148062 824969009 /nfs/dbraw/zinc/96/90/09/824969009.db2.gz ODONNWPZJAZBHO-VIFPVBQESA-N 2 0 270.358 -0.577 20 0 CBADRP C[C@@]1(O)C[C@H](NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001220150103 824969623 /nfs/dbraw/zinc/96/96/23/824969623.db2.gz QKLRLSIRFKRBEA-GMXVVIOVSA-N 2 0 267.373 -0.110 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001220150024 824969819 /nfs/dbraw/zinc/96/98/19/824969819.db2.gz NHIWGPQXGREQAK-HNCHTBHHSA-N 3 0 252.362 -0.961 20 0 CBADRP O=C(NCc1cc[nH]c(=O)c1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220147924 824969899 /nfs/dbraw/zinc/96/98/99/824969899.db2.gz LBHHNZYYVOVHFP-JTQLQIEISA-N 2 0 262.313 -0.788 20 0 CBADRP CC(C)[C@@]1(C(=O)NC2(C[NH3+])COC2)CCC[NH2+]C1 ZINC001220154190 824970635 /nfs/dbraw/zinc/97/06/35/824970635.db2.gz NXSRESIOENDRRS-CYBMUJFWSA-N 2 0 255.362 -0.144 20 0 CBADRP N=C(NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1nccs1 ZINC001220154805 824971516 /nfs/dbraw/zinc/97/15/16/824971516.db2.gz ZFMAKQYKHCGHBA-SSDOTTSWSA-N 2 0 265.342 -0.606 20 0 CBADRP N=C(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1nccs1 ZINC001220153959 824971578 /nfs/dbraw/zinc/97/15/78/824971578.db2.gz FVAISEQWJCQONF-LURJTMIESA-N 2 0 273.387 -0.396 20 0 CBADRP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220161249 824974663 /nfs/dbraw/zinc/97/46/63/824974663.db2.gz AXNYQMBTFLMWBC-NFAWXSAZSA-N 3 0 292.427 -0.166 20 0 CBADRP CC(C)N1CC(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001220160278 824974718 /nfs/dbraw/zinc/97/47/18/824974718.db2.gz WQHLDMVBJDWHAD-NSHDSACASA-N 2 0 252.362 -0.996 20 0 CBADRP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220163383 824974876 /nfs/dbraw/zinc/97/48/76/824974876.db2.gz QFLBUBFJIFHSCU-QKDZRIPBSA-N 2 0 292.427 -0.025 20 0 CBADRP O=C(N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220163451 824974973 /nfs/dbraw/zinc/97/49/73/824974973.db2.gz QWJZMHKINDDPNP-ZJQBRPOHSA-N 2 0 267.373 -0.252 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)N[C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001220161585 824975374 /nfs/dbraw/zinc/97/53/74/824975374.db2.gz DHKMWSDXOKYIHI-UHXUPSOCSA-N 2 0 266.389 -0.286 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@H]1COCCC12OCCO2 ZINC001220173269 824978058 /nfs/dbraw/zinc/97/80/58/824978058.db2.gz LTNUNJHEUOBPDW-QWRGUYRKSA-N 2 0 287.360 -0.909 20 0 CBADRP Cc1ncc(CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)cn1 ZINC001220177039 824979344 /nfs/dbraw/zinc/97/93/44/824979344.db2.gz MADMFDAUTDJZMU-TZMCWYRMSA-N 2 0 275.356 -0.400 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@@H]1CCNCC1(F)F ZINC001220187008 824982936 /nfs/dbraw/zinc/98/29/36/824982936.db2.gz XDEQRGMJMPKXQA-IUCAKERBSA-N 2 0 264.320 -0.586 20 0 CBADRP C[C@@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)c1cncnc1 ZINC001220183200 824981140 /nfs/dbraw/zinc/98/11/40/824981140.db2.gz HWKVOGRHROJLLG-ZWNOBZJWSA-N 2 0 292.387 -0.596 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N[C@H]1COCC[C@@H]1O ZINC001220181622 824981339 /nfs/dbraw/zinc/98/13/39/824981339.db2.gz WWIXAJFEHSTREO-AVGNSLFASA-N 2 0 287.404 -0.252 20 0 CBADRP CC1(C)C[C@@H](CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)O1 ZINC001220200887 824986156 /nfs/dbraw/zinc/98/61/56/824986156.db2.gz YHVRGPCIENLITE-WDEREUQCSA-N 2 0 255.362 -0.003 20 0 CBADRP O=C(NC[C@H]1CNC(=O)C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220202302 824986247 /nfs/dbraw/zinc/98/62/47/824986247.db2.gz AOKIHTGLULPSES-MNOVXSKESA-N 2 0 280.372 -0.887 20 0 CBADRP CC1(C)C[C@@H](CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)O1 ZINC001220200503 824986388 /nfs/dbraw/zinc/98/63/88/824986388.db2.gz MIRMCMROXSNUTA-RYUDHWBXSA-N 2 0 284.404 -0.580 20 0 CBADRP CC1(C)C[C@@H](CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)O1 ZINC001220200502 824986571 /nfs/dbraw/zinc/98/65/71/824986571.db2.gz MIRMCMROXSNUTA-NWDGAFQWSA-N 2 0 284.404 -0.580 20 0 CBADRP CC1(C)C[C@H](CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)O1 ZINC001220200586 824986749 /nfs/dbraw/zinc/98/67/49/824986749.db2.gz OIGKTEAEQDJKPZ-ZJUUUORDSA-N 2 0 253.346 -0.521 20 0 CBADRP CC(C)(C)[C@H](CO)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220217010 824988014 /nfs/dbraw/zinc/98/80/14/824988014.db2.gz HWPKULQZJHXDHW-IUCAKERBSA-N 2 0 263.407 -0.471 20 0 CBADRP CC(C)(C)[C@H](CO)NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220217184 824988421 /nfs/dbraw/zinc/98/84/21/824988421.db2.gz OTPOKGGTHFTAPX-QWRGUYRKSA-N 2 0 257.378 -0.164 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[NH2+]CCN1 ZINC001220220828 824988947 /nfs/dbraw/zinc/98/89/47/824988947.db2.gz GWQJHMGKPMOQED-SRVKXCTJSA-N 2 0 254.378 -0.463 20 0 CBADRP CCCNC(=O)[C@@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001220232777 824991609 /nfs/dbraw/zinc/99/16/09/824991609.db2.gz OYQAKGHWSWDBTM-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230489 824991677 /nfs/dbraw/zinc/99/16/77/824991677.db2.gz HMLCEBUWGMWWGW-UPJWGTAASA-N 2 0 299.415 -0.476 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220254214 824996103 /nfs/dbraw/zinc/99/61/03/824996103.db2.gz NMZKRZVXCRMFSI-JTQLQIEISA-N 3 0 276.450 -0.290 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220252025 824996213 /nfs/dbraw/zinc/99/62/13/824996213.db2.gz LUJJLOLOERRUMP-VXGBXAGGSA-N 3 0 266.389 -0.604 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220254710 824996325 /nfs/dbraw/zinc/99/63/25/824996325.db2.gz VBPDPHKJUAZLQT-BXUZGUMPSA-N 2 0 268.405 -0.358 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220254834 824998189 /nfs/dbraw/zinc/99/81/89/824998189.db2.gz ZLLVAXMDYZYIEB-LLVKDONJSA-N 2 0 284.404 -0.979 20 0 CBADRP [NH3+]CCN(C(=O)C[C@@H]1COCC[NH2+]1)c1cccnc1 ZINC001220263810 824999542 /nfs/dbraw/zinc/99/95/42/824999542.db2.gz YZGFLQDYLAHDPS-LLVKDONJSA-N 2 0 264.329 -0.248 20 0 CBADRP CC1(C)OCC(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CO1 ZINC001220271066 825000555 /nfs/dbraw/zinc/00/05/55/825000555.db2.gz RYFJKNATZLCLJO-SNVBAGLBSA-N 2 0 269.345 -0.937 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N[C@H]1COC(=O)C1 ZINC001220296156 825007827 /nfs/dbraw/zinc/00/78/27/825007827.db2.gz IDWBLVUKCGJHJO-MNOVXSKESA-N 2 0 271.361 -0.086 20 0 CBADRP C[N@@H+]1CCCN(CCNC(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC001220307166 825010658 /nfs/dbraw/zinc/01/06/58/825010658.db2.gz TXBBDHYYVKCXCP-CQSZACIVSA-N 2 0 268.405 -0.118 20 0 CBADRP C[NH2+]CCC(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220311719 825011820 /nfs/dbraw/zinc/01/18/20/825011820.db2.gz PVRFUZWBQZTWHU-UHFFFAOYSA-N 2 0 251.334 -0.398 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220311953 825012796 /nfs/dbraw/zinc/01/27/96/825012796.db2.gz UQSLTLWIAOVCEW-SNVBAGLBSA-N 3 0 280.376 -0.941 20 0 CBADRP C[C@H](NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)c1cnn(C)c1 ZINC001220308568 825012846 /nfs/dbraw/zinc/01/28/46/825012846.db2.gz LZYMBHOYLWKMCU-CABZTGNLSA-N 2 0 265.361 -0.076 20 0 CBADRP [NH3+][C@H](C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)C1CC[NH2+]CC1 ZINC001220319148 825013270 /nfs/dbraw/zinc/01/32/70/825013270.db2.gz DIPINENMSIWVRQ-VNHYZAJKSA-N 3 0 296.415 -0.659 20 0 CBADRP NC1(C(=O)N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]CC1 ZINC001220321449 825015104 /nfs/dbraw/zinc/01/51/04/825015104.db2.gz UFCXUUUQWYEQAW-WCQYABFASA-N 2 0 282.388 -0.905 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@@H]1CC12CCOCC2 ZINC001220329148 825015276 /nfs/dbraw/zinc/01/52/76/825015276.db2.gz HEKJHVVZIJSLMO-VHSXEESVSA-N 2 0 273.402 -0.309 20 0 CBADRP Cc1cc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)n(N)c(=O)c1 ZINC001220323412 825015367 /nfs/dbraw/zinc/01/53/67/825015367.db2.gz GEPBYEQPWBVAAT-LBPRGKRZSA-N 2 0 279.344 -0.864 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CNCC[NH3+] ZINC001220334995 825016864 /nfs/dbraw/zinc/01/68/64/825016864.db2.gz GKENGYLWKSEXFT-GFCCVEGCSA-N 2 0 256.394 -0.229 20 0 CBADRP COc1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)nn1 ZINC001220343583 825020158 /nfs/dbraw/zinc/02/01/58/825020158.db2.gz TXNWHBCYBGJOSG-QMTHXVAHSA-N 2 0 291.355 -0.700 20 0 CBADRP C[C@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1cnccn1 ZINC001220368886 825020890 /nfs/dbraw/zinc/02/08/90/825020890.db2.gz OPOQFTRAYUPVDB-VHSXEESVSA-N 2 0 261.329 -0.537 20 0 CBADRP [NH3+]Cc1ccc2c(n1)N(C(=O)[C@H]1C[NH2+]C[C@@H]1O)CCC2 ZINC001220377175 825023039 /nfs/dbraw/zinc/02/30/39/825023039.db2.gz MHZOEONOEAYLQK-RYUDHWBXSA-N 2 0 276.340 -0.600 20 0 CBADRP COC(=O)c1n[nH]cc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220373655 825023223 /nfs/dbraw/zinc/02/32/23/825023223.db2.gz WOXIONQCIADEIN-LURJTMIESA-N 2 0 255.278 -0.799 20 0 CBADRP COC(=O)c1n[nH]cc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220373362 825023325 /nfs/dbraw/zinc/02/33/25/825023325.db2.gz KVHWYXRATWLQGJ-LURJTMIESA-N 2 0 287.345 -0.846 20 0 CBADRP C[NH+](C)CCC(C)(C)NC(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001220385943 825026854 /nfs/dbraw/zinc/02/68/54/825026854.db2.gz DTFGQUWGBOQIDJ-YPMLDQLKSA-N 2 0 277.434 -0.071 20 0 CBADRP C[NH+](C)CCC(C)(C)NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220386281 825026958 /nfs/dbraw/zinc/02/69/58/825026958.db2.gz NOBCMBGODWSXII-NSHDSACASA-N 2 0 284.404 -0.837 20 0 CBADRP O=C(NCC12CC[NH+](CC1)CC2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220394692 825028118 /nfs/dbraw/zinc/02/81/18/825028118.db2.gz MALYUBITRCRUPI-GHMZBOCLSA-N 2 0 253.346 -0.689 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394284 825028519 /nfs/dbraw/zinc/02/85/19/825028519.db2.gz CWQHOXTXAQMTNB-LBPRGKRZSA-N 2 0 294.399 -0.462 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NCC12CC[NH+](CC1)CC2 ZINC001220394317 825028943 /nfs/dbraw/zinc/02/89/43/825028943.db2.gz FEFRLRCBNJRPGZ-LBPRGKRZSA-N 2 0 267.373 -0.033 20 0 CBADRP COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001220405775 825032294 /nfs/dbraw/zinc/03/22/94/825032294.db2.gz CYQBOVZXZSJWPS-UTLUCORTSA-N 2 0 257.334 -0.490 20 0 CBADRP COC(=O)[C@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001220406145 825032816 /nfs/dbraw/zinc/03/28/16/825032816.db2.gz LCRBCDSPIVCIMR-OZTPJHRESA-N 2 0 295.383 -0.357 20 0 CBADRP CNC(=O)[C@H](C)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220418927 825035021 /nfs/dbraw/zinc/03/50/21/825035021.db2.gz VPFOAWPDHSRIMS-UWVGGRQHSA-N 2 0 268.361 -0.889 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220428826 825036542 /nfs/dbraw/zinc/03/65/42/825036542.db2.gz FUOQUMYELBIRJL-NEPJUHHUSA-N 2 0 272.393 -0.850 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220428827 825036800 /nfs/dbraw/zinc/03/68/00/825036800.db2.gz FUOQUMYELBIRJL-RYUDHWBXSA-N 2 0 272.393 -0.850 20 0 CBADRP CSc1nc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])cc(=O)n1C ZINC001220435573 825038133 /nfs/dbraw/zinc/03/81/33/825038133.db2.gz JOCDRYHECDSOEO-QMMMGPOBSA-N 2 0 299.400 -0.103 20 0 CBADRP [NH3+][C@H](C(=O)N[C@H](CO)C(F)(F)F)C1CC[NH2+]CC1 ZINC001220447057 825038434 /nfs/dbraw/zinc/03/84/34/825038434.db2.gz BRVWHESQSSXTOL-SFYZADRCSA-N 2 0 269.267 -0.647 20 0 CBADRP O=C(NC1CCN(CCF)CC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220436578 825040141 /nfs/dbraw/zinc/04/01/41/825040141.db2.gz XLEARQPFDAXEFY-QWRGUYRKSA-N 2 0 259.325 -0.741 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N[C@@H](CO)C(F)(F)F ZINC001220447344 825041651 /nfs/dbraw/zinc/04/16/51/825041651.db2.gz IQFBKTVPVDROLA-YUMQZZPRSA-N 2 0 271.283 -0.128 20 0 CBADRP CC(C)NC(=O)[C@@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C(C)C ZINC001220462678 825044553 /nfs/dbraw/zinc/04/45/53/825044553.db2.gz KKJBVGINBDDQPT-RYUDHWBXSA-N 2 0 296.415 -0.539 20 0 CBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)O1 ZINC001220481383 825046574 /nfs/dbraw/zinc/04/65/74/825046574.db2.gz FNTIPXTYLPFTLB-CGHQTKRJSA-N 2 0 283.372 -0.707 20 0 CBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H](C)C[NH3+])O1 ZINC001220481934 825048723 /nfs/dbraw/zinc/04/87/23/825048723.db2.gz WLYBWGZHOYWULB-BTQIBKBOSA-N 2 0 259.350 -0.578 20 0 CBADRP NC1(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC[NH2+]CC1 ZINC001220502129 825050895 /nfs/dbraw/zinc/05/08/95/825050895.db2.gz ZNNFJKHQZJZSSG-GFCCVEGCSA-N 2 0 262.357 -0.117 20 0 CBADRP N[C@@]1(C(=O)NC[C@H]([NH3+])c2ccccc2)CCC[NH2+]C1 ZINC001220499769 825050930 /nfs/dbraw/zinc/05/09/30/825050930.db2.gz CSZXETAUFVCJIQ-JSGCOSHPSA-N 2 0 262.357 -0.117 20 0 CBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220499711 825051538 /nfs/dbraw/zinc/05/15/38/825051538.db2.gz BJCZIIJJXNIXDZ-VXGBXAGGSA-N 2 0 293.371 -0.422 20 0 CBADRP [NH3+][C@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1CCN2)c1ccccc1 ZINC001220500270 825051895 /nfs/dbraw/zinc/05/18/95/825051895.db2.gz HPJDQTKBRAADMC-GUTXKFCHSA-N 2 0 274.368 -0.246 20 0 CBADRP [NH3+][C@@H](CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1ccccc1 ZINC001220499993 825052670 /nfs/dbraw/zinc/05/26/70/825052670.db2.gz GEBLDINUWHSWPA-STQMWFEESA-N 3 0 274.368 -0.388 20 0 CBADRP CN(CC[NH3+])CCNC(=O)c1ccccc1C[NH3+] ZINC001220517316 825052978 /nfs/dbraw/zinc/05/29/78/825052978.db2.gz GQNIXHVJEZVSSB-UHFFFAOYSA-N 2 0 250.346 -0.234 20 0 CBADRP C[C@]1(C(=O)NCCOCCOCC[NH3+])CC[NH2+]C1 ZINC001220519395 825053009 /nfs/dbraw/zinc/05/30/09/825053009.db2.gz MSKPZMMHOHGISV-LBPRGKRZSA-N 2 0 259.350 -0.906 20 0 CBADRP [NH3+]CCOCCOCCNC(=O)C1CCC(C[NH3+])CC1 ZINC001220519244 825053401 /nfs/dbraw/zinc/05/34/01/825053401.db2.gz HQBNVJPXSOLXCW-UHFFFAOYSA-N 2 0 287.404 -0.140 20 0 CBADRP CN(CC[NH3+])CCNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C[NH2+]1 ZINC001220516360 825053948 /nfs/dbraw/zinc/05/39/48/825053948.db2.gz UHAWWQPUYBIYJL-ZJUUUORDSA-N 2 0 296.337 -0.076 20 0 CBADRP CN(CC[NH3+])CCNC(=O)[C@@H]1C[C@@H](OC(C)(C)C)C[NH2+]1 ZINC001220517574 825054045 /nfs/dbraw/zinc/05/40/45/825054045.db2.gz RBVUBAMONJAQNG-NEPJUHHUSA-N 2 0 286.420 -0.461 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCOCCOCC[NH3+] ZINC001220519410 825054721 /nfs/dbraw/zinc/05/47/21/825054721.db2.gz NCHKXMPRXXWLEJ-VXGBXAGGSA-N 2 0 273.377 -0.517 20 0 CBADRP [NH3+]CCOCCOCCNC(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001220519301 825054954 /nfs/dbraw/zinc/05/49/54/825054954.db2.gz JLTQGXZAPNJUBM-MNOVXSKESA-N 2 0 277.340 -0.958 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H](C)C[NH3+])CC[NH2+]C1 ZINC001220522919 825055569 /nfs/dbraw/zinc/05/55/69/825055569.db2.gz HFVZVAOVOMKRMC-QMMMGPOBSA-N 2 0 255.318 -0.492 20 0 CBADRP C[C@@H]1COCC[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220565636 825062878 /nfs/dbraw/zinc/06/28/78/825062878.db2.gz OPJQLNYNRCXOBY-HKUMRIAESA-N 2 0 267.373 -0.273 20 0 CBADRP C[C@H]1COCC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220565637 825063596 /nfs/dbraw/zinc/06/35/96/825063596.db2.gz OPJQLNYNRCXOBY-KZVDOYCCSA-N 2 0 267.373 -0.273 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCN1CC2(COC2)C1 ZINC001220571115 825066676 /nfs/dbraw/zinc/06/66/76/825066676.db2.gz JGBRYZBAJQBHGI-LBPRGKRZSA-N 2 0 284.404 -0.848 20 0 CBADRP CC(C)(O)CCCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220575408 825067846 /nfs/dbraw/zinc/06/78/46/825067846.db2.gz HQSBTGZKEGKKIQ-LBPRGKRZSA-N 2 0 286.420 -0.596 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)OC)C[C@@H]1O ZINC001220583226 825070361 /nfs/dbraw/zinc/07/03/61/825070361.db2.gz SSPGBDHETLTRQZ-UPJWGTAASA-N 2 0 287.404 -0.476 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCC)C[C@@H]1O ZINC001220821842 825106186 /nfs/dbraw/zinc/10/61/86/825106186.db2.gz IANLZOJVVQCECA-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC1CN(C(C)=O)C1 ZINC001220597209 825073797 /nfs/dbraw/zinc/07/37/97/825073797.db2.gz ZIIWLEQFKNNSQE-NSHDSACASA-N 2 0 256.350 -0.950 20 0 CBADRP C[C@@H](NC(=O)[C@H]([NH3+])CCC[NH3+])c1ncc(F)cn1 ZINC001220598873 825074581 /nfs/dbraw/zinc/07/45/81/825074581.db2.gz GEXIQCBYOWTUSO-VXNVDRBHSA-N 2 0 255.297 -0.141 20 0 CBADRP O=C(N[C@H]1CNc2ccccc2C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220599257 825076073 /nfs/dbraw/zinc/07/60/73/825076073.db2.gz QXOUDVXMKFGLGH-CHWSQXEVSA-N 2 0 286.379 -0.052 20 0 CBADRP CC(C)[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220637300 825080125 /nfs/dbraw/zinc/08/01/25/825080125.db2.gz BCBNLIOPYUMRII-KGLIPLIRSA-N 2 0 299.415 -0.333 20 0 CBADRP [NH3+]CCNCC(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220654164 825080209 /nfs/dbraw/zinc/08/02/09/825080209.db2.gz GWCPLWCBNNBFFQ-UHFFFAOYSA-N 2 0 291.399 -0.739 20 0 CBADRP N=C(NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1cccnc1Cl ZINC001220661132 825081688 /nfs/dbraw/zinc/08/16/88/825081688.db2.gz UAYZEIJSNJXVOZ-SECBINFHSA-N 2 0 293.758 -0.014 20 0 CBADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220678485 825083863 /nfs/dbraw/zinc/08/38/63/825083863.db2.gz AUHUUSNUWSIQLM-LOWDOPEQSA-N 3 0 278.400 -0.415 20 0 CBADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220680840 825084551 /nfs/dbraw/zinc/08/45/51/825084551.db2.gz SZLBVCXJLJDDEB-IIRVCBMXSA-N 2 0 253.346 -0.644 20 0 CBADRP CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220681806 825084562 /nfs/dbraw/zinc/08/45/62/825084562.db2.gz QCCNTYYYYLETPQ-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220678866 825085109 /nfs/dbraw/zinc/08/51/09/825085109.db2.gz OPNRWLBMLFKNHY-BIGJJFBESA-N 2 0 278.400 -0.273 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220680686 825085727 /nfs/dbraw/zinc/08/57/27/825085727.db2.gz MUKDSPWDWDJAFP-ITGUQSILSA-N 2 0 266.389 -0.319 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1O ZINC001220689253 825086908 /nfs/dbraw/zinc/08/69/08/825086908.db2.gz BTAVCYJWSKFUQS-NEPJUHHUSA-N 2 0 257.378 -0.102 20 0 CBADRP CC(C)(C)NC(=O)CCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220709261 825089737 /nfs/dbraw/zinc/08/97/37/825089737.db2.gz VBXVLUBUJLRXBU-VIFPVBQESA-N 2 0 290.433 -0.573 20 0 CBADRP C[C@H]1COCCN1CCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220725234 825093443 /nfs/dbraw/zinc/09/34/43/825093443.db2.gz OQPQMKFAOFXUKC-AAEUAGOBSA-N 2 0 284.404 -0.850 20 0 CBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]1O)C2 ZINC001220716826 825093828 /nfs/dbraw/zinc/09/38/28/825093828.db2.gz SGYWAQSNOWUJBT-LBELIVKGSA-N 2 0 267.373 -0.302 20 0 CBADRP C[C@@H]1COCCN1CCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220725237 825094563 /nfs/dbraw/zinc/09/45/63/825094563.db2.gz OQPQMKFAOFXUKC-YPMHNXCESA-N 2 0 284.404 -0.850 20 0 CBADRP COC(CCCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)OC ZINC001220741331 825095948 /nfs/dbraw/zinc/09/59/48/825095948.db2.gz LSSGDMDNSCCSCK-GFCCVEGCSA-N 2 0 273.377 -0.171 20 0 CBADRP CC(=O)NC[C@H](C)CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220756298 825096160 /nfs/dbraw/zinc/09/61/60/825096160.db2.gz AKKSTTPYQAQCQU-JOYOIKCWSA-N 2 0 270.377 -0.798 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@@H](C)CNC(C)=O ZINC001220757029 825096936 /nfs/dbraw/zinc/09/69/36/825096936.db2.gz QUAGGPUYKIIDPS-JQWIXIFHSA-N 2 0 272.393 -0.408 20 0 CBADRP CC1(C)[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C[C@@H]1O ZINC001220766053 825099850 /nfs/dbraw/zinc/09/98/50/825099850.db2.gz KXSPAIJMKFHESB-NJBDSQKTSA-N 2 0 267.373 -0.539 20 0 CBADRP CC(C)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764439 825099885 /nfs/dbraw/zinc/09/98/85/825099885.db2.gz LDYFGXVTQDVRDC-OLZOCXBDSA-N 2 0 287.404 -0.618 20 0 CBADRP CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220766968 825100229 /nfs/dbraw/zinc/10/02/29/825100229.db2.gz ZAMAKPCTPJDPCW-AXFHLTTASA-N 2 0 255.362 -0.411 20 0 CBADRP [NH3+]CCNC(=O)/C=C/C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220775109 825100961 /nfs/dbraw/zinc/10/09/61/825100961.db2.gz IYCDAPNZANGXII-DHMVDLOISA-N 2 0 280.372 -0.462 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@H]3[NH2+]CC[C@H]3O)(C1)CCC2 ZINC001220780805 825101593 /nfs/dbraw/zinc/10/15/93/825101593.db2.gz NQHIVTBZILNHPC-RSLMWUCJSA-N 2 0 253.346 -0.371 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220788455 825102017 /nfs/dbraw/zinc/10/20/17/825102017.db2.gz DZWNFVNRFMVLOL-RWMBFGLXSA-N 2 0 277.372 -0.476 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220790372 825102847 /nfs/dbraw/zinc/10/28/47/825102847.db2.gz QZBHGMJRTLCCGD-FQUUOJAGSA-N 2 0 290.367 -0.429 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@H]1C[NH2+]C[C@@H]1O ZINC001220803180 825103945 /nfs/dbraw/zinc/10/39/45/825103945.db2.gz CLVLAJLUFKRDRH-MAUMQABQSA-N 2 0 281.278 -0.777 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220802946 825104067 /nfs/dbraw/zinc/10/40/67/825104067.db2.gz AJMFLVTVLCATRW-XSPKLOCKSA-N 2 0 280.294 -0.810 20 0 CBADRP N[C@]1(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)CCC[NH2+]C1 ZINC001220803934 825104445 /nfs/dbraw/zinc/10/44/45/825104445.db2.gz MOVKFRKATJSFBL-IQJOONFLSA-N 2 0 294.321 -0.276 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220806158 825104767 /nfs/dbraw/zinc/10/47/67/825104767.db2.gz YLHCGXVOFNGBDM-LURQLKTLSA-N 2 0 281.278 -0.634 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1O ZINC001220822467 825106174 /nfs/dbraw/zinc/10/61/74/825106174.db2.gz ZRFWITJMASNCDQ-NEPJUHHUSA-N 2 0 257.378 -0.102 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCOC)C[C@@H]1O ZINC001220822084 825106329 /nfs/dbraw/zinc/10/63/29/825106329.db2.gz NLXLYPBQZJBIMS-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP COc1ccc(CNC(=O)[C@@H]([NH3+])CCC[NH3+])c(OC)n1 ZINC001220823427 825106989 /nfs/dbraw/zinc/10/69/89/825106989.db2.gz JBBYQOUZDUWFCA-JTQLQIEISA-N 2 0 282.344 -0.219 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CC[C@@H]([NH3+])CO2)C[NH2+]C1 ZINC001220828768 825108000 /nfs/dbraw/zinc/10/80/00/825108000.db2.gz RQEUZXAKMPYZIM-KCJUWKMLSA-N 2 0 283.328 -0.971 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C(C)(C)[NH2+]C)C[NH2+]C1 ZINC001220829957 825108608 /nfs/dbraw/zinc/10/86/08/825108608.db2.gz HLDWQWAVLWSVSE-UHFFFAOYSA-N 2 0 255.318 -0.479 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@H](OC)CC[NH2+]2)C[NH2+]C1 ZINC001220830457 825109213 /nfs/dbraw/zinc/10/92/13/825109213.db2.gz XRAHQYOQJDTKEB-KOLCDFICSA-N 2 0 297.355 -0.710 20 0 CBADRP CCOC(=O)C1(NC(=O)C[C@H]2CCCC[NH2+]2)C[NH2+]C1 ZINC001220851449 825112249 /nfs/dbraw/zinc/11/22/49/825112249.db2.gz WIRVBIHTSCAMLB-SNVBAGLBSA-N 2 0 269.345 -0.460 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@@H]2[C@H]([NH3+])[C@H]3CC[C@@H]2C3)C[NH2+]C1 ZINC001220851039 825112610 /nfs/dbraw/zinc/11/26/10/825112610.db2.gz FERXAROARWALLO-VPOLOUISSA-N 2 0 281.356 -0.619 20 0 CBADRP CCOC(=O)C1(NC(=O)C2CC3(C[NH2+]C3)C2)C[NH2+]C1 ZINC001220851304 825112918 /nfs/dbraw/zinc/11/29/18/825112918.db2.gz PTYCNZYPCBLGRF-UHFFFAOYSA-N 2 0 267.329 -0.993 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])CC2CCC2)C[NH2+]C1 ZINC001220851305 825112981 /nfs/dbraw/zinc/11/29/81/825112981.db2.gz PURGZJDYSOZIRO-JTQLQIEISA-N 2 0 269.345 -0.475 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220857925 825114294 /nfs/dbraw/zinc/11/42/94/825114294.db2.gz YHDGCNROLVJZEP-ZJUUUORDSA-N 3 0 254.378 -0.715 20 0 CBADRP [NH3+]CCNCC(=O)NCCc1c[nH]c2cc[nH+]cc12 ZINC001220865534 825114884 /nfs/dbraw/zinc/11/48/84/825114884.db2.gz AGPGDSSEYKQGFA-UHFFFAOYSA-N 2 0 261.329 -0.230 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)NCCc1c[nH]c2cc[nH+]cc12 ZINC001220866227 825115022 /nfs/dbraw/zinc/11/50/22/825115022.db2.gz UXUNNIAISPOXJF-SNVBAGLBSA-N 2 0 262.313 -0.069 20 0 CBADRP CC[C@H](COC)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220863966 825115277 /nfs/dbraw/zinc/11/52/77/825115277.db2.gz MPMJHRRNWYAHBG-NQBHXWOUSA-N 2 0 255.362 -0.273 20 0 CBADRP CC[C@H](COC)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220865879 825115852 /nfs/dbraw/zinc/11/58/52/825115852.db2.gz NFHDJBUWJAHOEK-VXGBXAGGSA-N 2 0 272.393 -0.722 20 0 CBADRP CCC[C@@H](CCO)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220870915 825116624 /nfs/dbraw/zinc/11/66/24/825116624.db2.gz QXVLKWHTSZUOJU-STQMWFEESA-N 2 0 286.420 -0.596 20 0 CBADRP COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220881441 825118276 /nfs/dbraw/zinc/11/82/76/825118276.db2.gz KMSCZJOTOHIZEW-AEJSXWLSSA-N 2 0 257.334 -0.632 20 0 CBADRP COC(=O)[C@H]1C[C@@H]1CNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220882715 825119476 /nfs/dbraw/zinc/11/94/76/825119476.db2.gz ZNJRDZSOOVMBML-VWYCJHECSA-N 2 0 271.361 -0.242 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220884460 825119531 /nfs/dbraw/zinc/11/95/31/825119531.db2.gz CPZPQBLHKFWUCA-RYUDHWBXSA-N 3 0 266.389 -0.271 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CCSC12C[NH2+]C2 ZINC001220884819 825119789 /nfs/dbraw/zinc/11/97/89/825119789.db2.gz OCISSMKFBQLMJZ-VHSXEESVSA-N 2 0 255.387 -0.050 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220886725 825120009 /nfs/dbraw/zinc/12/00/09/825120009.db2.gz LDIMFFPJYXJMMX-TUAOUCFPSA-N 2 0 284.404 -0.267 20 0 CBADRP COC(=O)[C@H]1C[C@H]1CNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220882712 825120032 /nfs/dbraw/zinc/12/00/32/825120032.db2.gz ZNJRDZSOOVMBML-DCAQKATOSA-N 2 0 271.361 -0.242 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)C1=NO[C@]2(CC[NH2+]C2)C1 ZINC001220884907 825120203 /nfs/dbraw/zinc/12/02/03/825120203.db2.gz RBIBKXJLIDIBLT-JOYOIKCWSA-N 2 0 252.318 -0.637 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)C1=NO[C@@]2(CC[NH2+]C2)C1 ZINC001220884908 825120228 /nfs/dbraw/zinc/12/02/28/825120228.db2.gz RBIBKXJLIDIBLT-SKDRFNHKSA-N 2 0 252.318 -0.637 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1 ZINC001220884509 825120367 /nfs/dbraw/zinc/12/03/67/825120367.db2.gz FQKNOSQJAUJYAC-FIQHERPVSA-N 2 0 253.346 -0.378 20 0 CBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220889723 825121331 /nfs/dbraw/zinc/12/13/31/825121331.db2.gz NSCGNXWNUHOZHW-OUAUKWLOSA-N 2 0 255.318 -0.994 20 0 CBADRP [NH3+]CCN(CCNC(=O)[C@@H]([NH3+])CC1CCC1)N(O)N=O ZINC001220903760 825122237 /nfs/dbraw/zinc/12/22/37/825122237.db2.gz ZAEPCYVWTDBIGA-JTQLQIEISA-N 2 0 288.352 -0.832 20 0 CBADRP [NH3+]CCN(CCNC(=O)C[C@H]1CCC[NH2+]C1)N(O)N=O ZINC001220900401 825122618 /nfs/dbraw/zinc/12/26/18/825122618.db2.gz JBUSUVOIFOHMQH-SNVBAGLBSA-N 2 0 288.352 -0.959 20 0 CBADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C2COC2)CC1 ZINC001220930046 825123314 /nfs/dbraw/zinc/12/33/14/825123314.db2.gz LHDKPVJLNOAPGE-FPQZTECRSA-N 2 0 283.372 -0.794 20 0 CBADRP N[C@@]1(C(=O)N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]C1 ZINC001220929773 825124366 /nfs/dbraw/zinc/12/43/66/825124366.db2.gz FDHVYBCDMJURTO-MJVIPROJSA-N 2 0 282.388 -0.826 20 0 CBADRP N[C@]1(C(=O)N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]C1 ZINC001220929772 825124478 /nfs/dbraw/zinc/12/44/78/825124478.db2.gz FDHVYBCDMJURTO-JTNHKYCSSA-N 2 0 282.388 -0.826 20 0 CBADRP Cc1noc(C2(NC(=O)[C@H]([NH3+])CCC[NH3+])CC2)n1 ZINC001220932048 825125987 /nfs/dbraw/zinc/12/59/87/825125987.db2.gz GDJWXWUITQPZJV-MRVPVSSYSA-N 2 0 253.306 -0.450 20 0 CBADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001220935907 825126132 /nfs/dbraw/zinc/12/61/32/825126132.db2.gz ANDMUHQWRUOITG-AXFHLTTASA-N 2 0 259.325 -0.429 20 0 CBADRP N[C@@H](C[NH3+])C(=O)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220941662 825127114 /nfs/dbraw/zinc/12/71/14/825127114.db2.gz XVLHEQQXMBVKOR-DCAQKATOSA-N 2 0 278.360 -0.635 20 0 CBADRP Nc1ccc([C@H](CCO)NC(=O)[C@@H](N)CC[NH3+])cc1 ZINC001220955088 825128391 /nfs/dbraw/zinc/12/83/91/825128391.db2.gz CRHHXYIMVRCAAQ-RYUDHWBXSA-N 2 0 266.345 -0.515 20 0 CBADRP CC(C)N(C(=O)CN1CC[NH2+]CC1)C(C)(C)C[NH3+] ZINC001221395062 825181343 /nfs/dbraw/zinc/18/13/43/825181343.db2.gz ZIPKVQJDCUHQJB-UHFFFAOYSA-N 2 0 256.394 -0.134 20 0 CBADRP CC(C)[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220980911 825131562 /nfs/dbraw/zinc/13/15/62/825131562.db2.gz BJMPDLGUKQZIRD-MJBXVCDLSA-N 2 0 299.415 -0.476 20 0 CBADRP O=C(NCc1ncn2ccccc12)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221008705 825135865 /nfs/dbraw/zinc/13/58/65/825135865.db2.gz YHTFOVSBSJIGNB-LLVKDONJSA-N 2 0 285.351 -0.241 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCc1nncs1 ZINC001221013340 825137530 /nfs/dbraw/zinc/13/75/30/825137530.db2.gz ORPXGYMPMLJDBR-ZETCQYMHSA-N 2 0 275.403 -0.784 20 0 CBADRP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081466 825142252 /nfs/dbraw/zinc/14/22/52/825142252.db2.gz NJOMCXARGOMNGG-MCIONIFRSA-N 2 0 299.415 -0.596 20 0 CBADRP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089285 825143726 /nfs/dbraw/zinc/14/37/26/825143726.db2.gz BPMMYOLLZGENGZ-XQQFMLRXSA-N 2 0 287.404 -0.477 20 0 CBADRP O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001221124181 825144937 /nfs/dbraw/zinc/14/49/37/825144937.db2.gz YVLSPFKWFLBFGL-STQMWFEESA-N 2 0 290.367 -0.501 20 0 CBADRP O=C(NCc1ccnn1CCF)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221106150 825145058 /nfs/dbraw/zinc/14/50/58/825145058.db2.gz NVVHPWHXRAZALW-NSHDSACASA-N 2 0 281.335 -0.722 20 0 CBADRP O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001221121950 825145089 /nfs/dbraw/zinc/14/50/89/825145089.db2.gz YVLSPFKWFLBFGL-CHWSQXEVSA-N 2 0 290.367 -0.501 20 0 CBADRP N[C@]1(C(=O)NC2(c3cccnc3)CC[NH2+]CC2)CC[NH2+]C1 ZINC001221124102 825145347 /nfs/dbraw/zinc/14/53/47/825145347.db2.gz WLYCSHRBTSPJPK-CQSZACIVSA-N 2 0 289.383 -0.533 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221114024 825145417 /nfs/dbraw/zinc/14/54/17/825145417.db2.gz KCZPQZYTXAOGHZ-LBPRGKRZSA-N 2 0 292.383 -0.471 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221121895 825145579 /nfs/dbraw/zinc/14/55/79/825145579.db2.gz XCZXUOADUSSTPR-CYBMUJFWSA-N 3 0 291.399 -0.157 20 0 CBADRP O=C(NCc1ccnn1CCF)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221105817 825145645 /nfs/dbraw/zinc/14/56/45/825145645.db2.gz BTVZOLFTGUSTED-BXUZGUMPSA-N 2 0 295.362 -0.332 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1cc(OCC2CC2)ncn1 ZINC001221158117 825148708 /nfs/dbraw/zinc/14/87/08/825148708.db2.gz UCVCGMQRSSPXTB-LBPRGKRZSA-N 2 0 293.371 -0.052 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001221190204 825151714 /nfs/dbraw/zinc/15/17/14/825151714.db2.gz FMGJARIOWFDSJZ-QWRGUYRKSA-N 3 0 288.392 -0.771 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC001221188581 825151640 /nfs/dbraw/zinc/15/16/40/825151640.db2.gz XXEPUGCNHMVSOW-VWYCJHECSA-N 2 0 271.361 -0.229 20 0 CBADRP CC(C)(C)N1CC(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001221194084 825152872 /nfs/dbraw/zinc/15/28/72/825152872.db2.gz LKZDULSYIWFUKL-GFCCVEGCSA-N 2 0 268.405 -0.088 20 0 CBADRP O=C(NCc1nc2cc[nH]cc-2n1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221194265 825153460 /nfs/dbraw/zinc/15/34/60/825153460.db2.gz OUFMFKHJGUZZSJ-SECBINFHSA-N 2 0 286.339 -0.617 20 0 CBADRP CC(C)(C)[NH+]1CC(NC(=O)CNC2CC[NH2+]CC2)C1 ZINC001221194339 825153488 /nfs/dbraw/zinc/15/34/88/825153488.db2.gz PTTBXDXREIPNDA-UHFFFAOYSA-N 2 0 268.405 -0.073 20 0 CBADRP C[C@@]1([NH3+])C[C@H](NC(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C1 ZINC001221239938 825158217 /nfs/dbraw/zinc/15/82/17/825158217.db2.gz XHFHZTBRHOXZLS-HKLXJQGRSA-N 2 0 253.346 -0.251 20 0 CBADRP C[N@@H+]1CCC[C@](C)(NC(=O)[C@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001221241085 825158260 /nfs/dbraw/zinc/15/82/60/825158260.db2.gz NIOATFLQSLAXKD-XBFCOCLRSA-N 2 0 266.389 -0.462 20 0 CBADRP C[N@@H+]1CCC[C@](C)(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001221241244 825158766 /nfs/dbraw/zinc/15/87/66/825158766.db2.gz QZQWTGQWZPDSKX-AAEUAGOBSA-N 3 0 266.389 -0.604 20 0 CBADRP [NH3+][C@H](C(=O)N[C@@H]1CCOC[C@@H]1F)C1CC[NH2+]CC1 ZINC001221244422 825160927 /nfs/dbraw/zinc/16/09/27/825160927.db2.gz ZNZJCHZRLDLRFO-AXFHLTTASA-N 2 0 259.325 -0.444 20 0 CBADRP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@@]2(N)CCC[NH2+]C2)C1 ZINC001221243509 825161019 /nfs/dbraw/zinc/16/10/19/825161019.db2.gz JUHSPHRUMHNWGI-CHWSQXEVSA-N 2 0 254.378 -0.332 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001221254352 825161465 /nfs/dbraw/zinc/16/14/65/825161465.db2.gz MEDOFIMKBGOSBD-FIQHERPVSA-N 2 0 252.362 -0.996 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])C2CCC(O)CC2)C1 ZINC001221254203 825161633 /nfs/dbraw/zinc/16/16/33/825161633.db2.gz JKPCXRBSQCHYIJ-WTIISPKJSA-N 2 0 269.389 -0.067 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1 ZINC001221253965 825161694 /nfs/dbraw/zinc/16/16/94/825161694.db2.gz CMYWEFDLFYNTOM-WGBDABJCSA-N 2 0 252.362 -0.724 20 0 CBADRP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221246178 825162177 /nfs/dbraw/zinc/16/21/77/825162177.db2.gz SDIUVTRHTQPUIX-CZUORRHYSA-N 3 0 292.427 -0.166 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001221253927 825162596 /nfs/dbraw/zinc/16/25/96/825162596.db2.gz BUWIPJZKSXYNRS-JQWIXIFHSA-N 2 0 265.361 -0.642 20 0 CBADRP CC(C)(O)[C@H](F)CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001221260150 825164501 /nfs/dbraw/zinc/16/45/01/825164501.db2.gz JAAVZGTXTULXJF-NXEZZACHSA-N 2 0 261.341 -0.462 20 0 CBADRP O=C(N[C@H]1CCCNC(=O)C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221269557 825165559 /nfs/dbraw/zinc/16/55/59/825165559.db2.gz PZSNXKYHRZFYHB-NWDGAFQWSA-N 2 0 294.399 -0.355 20 0 CBADRP [NH3+][C@H](C(=O)NCC(=O)NCC(F)(F)F)C1CC[NH2+]CC1 ZINC001221278018 825165601 /nfs/dbraw/zinc/16/56/01/825165601.db2.gz FHPBGAFYHUWIRJ-VIFPVBQESA-N 2 0 296.293 -0.892 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCNC(=O)C1 ZINC001221268819 825165899 /nfs/dbraw/zinc/16/58/99/825165899.db2.gz DITWGVGLPYFOPM-UWVGGRQHSA-N 2 0 256.350 -0.772 20 0 CBADRP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001221332754 825172284 /nfs/dbraw/zinc/17/22/84/825172284.db2.gz MDUOFAHLAALXFY-MJBXVCDLSA-N 2 0 275.352 -0.379 20 0 CBADRP Cc1cnc(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c(=O)[nH]1 ZINC001221329288 825172366 /nfs/dbraw/zinc/17/23/66/825172366.db2.gz QGJPVVVLDMZHRL-SNVBAGLBSA-N 2 0 291.355 -0.109 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)n1cc(N)c(=O)nc1N ZINC001221331308 825172370 /nfs/dbraw/zinc/17/23/70/825172370.db2.gz SPMPYVBRUQLESE-QMMMGPOBSA-N 2 0 268.321 -0.992 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221332356 825172684 /nfs/dbraw/zinc/17/26/84/825172684.db2.gz JQOPXMUJJAYWMD-STQMWFEESA-N 2 0 263.341 -0.392 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221333881 825172709 /nfs/dbraw/zinc/17/27/09/825172709.db2.gz UXEITJZSEGNONT-UONOGXRCSA-N 3 0 276.384 -0.035 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC[C@H](O)CF ZINC001221335691 825173954 /nfs/dbraw/zinc/17/39/54/825173954.db2.gz AZAFXTFJSPCIKF-MNOVXSKESA-N 2 0 263.357 -0.071 20 0 CBADRP [NH3+]CCCCNC(=O)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001221344581 825174759 /nfs/dbraw/zinc/17/47/59/825174759.db2.gz AROTZVSTTNHQPB-QWHCGFSZSA-N 2 0 268.405 -0.085 20 0 CBADRP [NH3+]CCCCNC(=O)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001221349548 825174944 /nfs/dbraw/zinc/17/49/44/825174944.db2.gz ZEXNVWSJLWHZMZ-CYBMUJFWSA-N 2 0 268.405 -0.085 20 0 CBADRP CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)NCCCC[NH3+])C1 ZINC001221348150 825175220 /nfs/dbraw/zinc/17/52/20/825175220.db2.gz UXSGFVYKICOJQE-LLVKDONJSA-N 2 0 256.394 -0.086 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@]12C[NH2+]C[C@H]1COC2 ZINC001221367550 825176335 /nfs/dbraw/zinc/17/63/35/825176335.db2.gz QVAOAXISKDXLBX-XNDJQWLSSA-N 2 0 257.309 -0.961 20 0 CBADRP CC1(C)C(=O)NC[C@H]1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001221370781 825177709 /nfs/dbraw/zinc/17/77/09/825177709.db2.gz UGYJOJBTFXPZIJ-VHSXEESVSA-N 2 0 270.377 -0.526 20 0 CBADRP O=C(NC[C@@H]1CNC(=O)O1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221371826 825178443 /nfs/dbraw/zinc/17/84/43/825178443.db2.gz ZCDYOJRTYRJIDG-ZJUUUORDSA-N 2 0 282.344 -0.915 20 0 CBADRP O=C(NC[C@H]1CNC(=O)O1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221371824 825178917 /nfs/dbraw/zinc/17/89/17/825178917.db2.gz ZCDYOJRTYRJIDG-UWVGGRQHSA-N 2 0 282.344 -0.915 20 0 CBADRP NC1=CC=C(C2CCN(C(=O)[C@@H]3CC[NH2+]3)CC2)[NH2+]C1 ZINC001221390825 825179939 /nfs/dbraw/zinc/17/99/39/825179939.db2.gz IDGSZIYXWQNTQU-ZDUSSCGKSA-N 2 0 262.357 -0.083 20 0 CBADRP NC1=CC=C(C2CCN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)CC2)[NH2+]C1 ZINC001221392843 825180014 /nfs/dbraw/zinc/18/00/14/825180014.db2.gz OAGMXNRIRDAQIH-TZMCWYRMSA-N 2 0 292.383 -0.865 20 0 CBADRP NC1=CC=C(C2CCN(C(=O)C[C@H](O)C[NH3+])CC2)[NH2+]C1 ZINC001221392599 825180209 /nfs/dbraw/zinc/18/02/09/825180209.db2.gz YEAAULNPROVYDW-LBPRGKRZSA-N 2 0 280.372 -0.736 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001221388371 825180477 /nfs/dbraw/zinc/18/04/77/825180477.db2.gz CCNYECJWTVLVNA-CYBMUJFWSA-N 3 0 284.408 -0.869 20 0 CBADRP COCC1(NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)Cc2ccccc2C1 ZINC001221397042 825180858 /nfs/dbraw/zinc/18/08/58/825180858.db2.gz TZOPUNZCNUESOL-KGLIPLIRSA-N 2 0 289.379 -0.024 20 0 CBADRP CC(C)N(C(=O)[C@]12C[NH2+]C[C@H]1CCN2)C(C)(C)C[NH3+] ZINC001221394067 825181942 /nfs/dbraw/zinc/18/19/42/825181942.db2.gz IELWITISQSQPBB-RISCZKNCSA-N 2 0 268.405 -0.088 20 0 CBADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001221399571 825182896 /nfs/dbraw/zinc/18/28/96/825182896.db2.gz RFBMZXPAYGQFSO-MJBXVCDLSA-N 2 0 275.352 -0.603 20 0 CBADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1[NH2+]CC[C@@H]1O ZINC001221399536 825182956 /nfs/dbraw/zinc/18/29/56/825182956.db2.gz QJIQYBYQPAVJIK-IHRRRGAJSA-N 2 0 275.352 -0.460 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC2(CO)CC[NH+](C)CC2)C1 ZINC001221403767 825183742 /nfs/dbraw/zinc/18/37/42/825183742.db2.gz WXCOBWSKIBTRAO-VXGBXAGGSA-N 2 0 269.389 -0.053 20 0 CBADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@]2(N)CC[NH2+]C2)c1 ZINC001221406008 825183783 /nfs/dbraw/zinc/18/37/83/825183783.db2.gz YQBPLVFLVVCRCS-TZMCWYRMSA-N 2 0 278.356 -0.498 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221407366 825184430 /nfs/dbraw/zinc/18/44/30/825184430.db2.gz BRBFTSQFRXOTAB-CQSZACIVSA-N 2 0 266.389 -0.604 20 0 CBADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]2C[NH2+]CCN2)c1 ZINC001221404528 825184508 /nfs/dbraw/zinc/18/45/08/825184508.db2.gz NBBLANHULUTFAX-OLZOCXBDSA-N 2 0 278.356 -0.627 20 0 CBADRP COc1cccc([C@@H](C[NH3+])NC(=O)C2(N)CC[NH2+]CC2)c1 ZINC001221406539 825184563 /nfs/dbraw/zinc/18/45/63/825184563.db2.gz SGHIHMJJQVBHJL-CYBMUJFWSA-N 2 0 292.383 -0.108 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221410143 825185473 /nfs/dbraw/zinc/18/54/73/825185473.db2.gz QAXAFOYLNMGZDA-OAHLLOKOSA-N 2 0 280.416 -0.168 20 0 CBADRP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001221411177 825185893 /nfs/dbraw/zinc/18/58/93/825185893.db2.gz UQISCHMDXHREAL-RQJABVFESA-N 2 0 279.384 -0.275 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)[C@H](C)C1 ZINC001221409894 825185897 /nfs/dbraw/zinc/18/58/97/825185897.db2.gz VLYXPNZIGUPLRY-VOAKCMCISA-N 2 0 269.389 -0.056 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@H](O)C[NH3+])[C@H](C)C1 ZINC001221409971 825186044 /nfs/dbraw/zinc/18/60/44/825186044.db2.gz WCZYOOXANZLJFY-WOPDTQHZSA-N 2 0 257.378 -0.069 20 0 CBADRP [NH3+][C@@H](C(=O)N[C@H](C1CCC1)C1C[NH2+]C1)C1CC[NH2+]CC1 ZINC001221408051 825186120 /nfs/dbraw/zinc/18/61/20/825186120.db2.gz GGUISMSEAYAHAC-ZIAGYGMSSA-N 3 0 280.416 -0.182 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)C1 ZINC001221415027 825187684 /nfs/dbraw/zinc/18/76/84/825187684.db2.gz WBYZVHCCHPMEAU-SRVKXCTJSA-N 2 0 252.362 -0.820 20 0 CBADRP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@H]1[NH2+]CC[C@@H]1O ZINC001221412523 825187932 /nfs/dbraw/zinc/18/79/32/825187932.db2.gz DNIWPLSROABHLV-SRVKXCTJSA-N 2 0 253.346 -0.787 20 0 CBADRP C[NH+](C)CCCC(=O)N1C[C@H]2CCN(CC(N)=O)C[C@H]21 ZINC001221774084 825194482 /nfs/dbraw/zinc/19/44/82/825194482.db2.gz RSAZDXNDOZQPLF-VXGBXAGGSA-N 2 0 282.388 -0.654 20 0 CBADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001221950609 825198198 /nfs/dbraw/zinc/19/81/98/825198198.db2.gz PGFIGKCKUSIERS-CHWSQXEVSA-N 2 0 285.388 -0.910 20 0 CBADRP CCOC(=O)[C@@]12CN(CC[NH3+])C[C@@H]1C[NH2+]CCC2 ZINC001222125533 825200234 /nfs/dbraw/zinc/20/02/34/825200234.db2.gz NRIYHRNRHXSYOL-AAEUAGOBSA-N 2 0 255.362 -0.190 20 0 CBADRP CCOC(=O)[C@H]1CC2(CN1CC[NH3+])CC[NH2+]CC2 ZINC001222215306 825205663 /nfs/dbraw/zinc/20/56/63/825205663.db2.gz BQTMMWOAWUPEAP-LLVKDONJSA-N 2 0 255.362 -0.048 20 0 CBADRP O=C1NCC[C@@]12C[N@H+](CCCCCO)CC21C[NH2+]C1 ZINC001222520858 825214169 /nfs/dbraw/zinc/21/41/69/825214169.db2.gz LWGQXMYGWNGCSN-CQSZACIVSA-N 2 0 267.373 -0.440 20 0 CBADRP Nc1[nH]c(CN2CC[NH2+]C[C@@]3(CCCCN3)C2)c[nH+]1 ZINC001222690923 825220858 /nfs/dbraw/zinc/22/08/58/825220858.db2.gz AMNKNSWUJDZXIF-ZDUSSCGKSA-N 2 0 264.377 -0.091 20 0 CBADRP C([C@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@]2(CCCCN2)C1 ZINC001222666268 825221028 /nfs/dbraw/zinc/22/10/28/825221028.db2.gz ANNBWHSJFPTERM-ZIAGYGMSSA-N 2 0 268.405 -0.608 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223431354 825230732 /nfs/dbraw/zinc/23/07/32/825230732.db2.gz YHEWCGCTHXTDSC-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)CCC(=O)NCC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001224338493 825237078 /nfs/dbraw/zinc/23/70/78/825237078.db2.gz VCROHYYBPXRSII-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)CCC(=O)NC1CC[NH+](CCn2cncn2)CC1 ZINC001229007704 825326742 /nfs/dbraw/zinc/32/67/42/825326742.db2.gz BYVVLJVLTQVCGL-UHFFFAOYSA-N 2 0 294.403 -0.190 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCOCCO)CC2)C1 ZINC001230262569 825345184 /nfs/dbraw/zinc/34/51/84/825345184.db2.gz GOPPCYKTAONNLG-CYBMUJFWSA-N 2 0 299.415 -0.472 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CCN3CC[NH2+]C[C@@H]3C2)O1 ZINC001234972401 825478218 /nfs/dbraw/zinc/47/82/18/825478218.db2.gz BNIJUVWTCCMMFQ-NEPJUHHUSA-N 2 0 254.378 -0.700 20 0 CBADRP [NH3+]C12CC(CCN3CCNC[C@]34CC[NH2+]C4)(C1)C2 ZINC001234982913 825480631 /nfs/dbraw/zinc/48/06/31/825480631.db2.gz WXYJUSUIXDBFGB-JXQTWKCFSA-N 2 0 250.390 -0.105 20 0 CBADRP [NH3+]C12CC(CC[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)(C1)C2 ZINC001235051680 825483474 /nfs/dbraw/zinc/48/34/74/825483474.db2.gz AAVLPYZXRKQQGP-JXQTWKCFSA-N 3 0 250.390 -0.105 20 0 CBADRP c1cc2n(c1CN1CCN[C@]3(CC[NH2+]C3)C1)CC[NH2+]C2 ZINC001235052659 825484264 /nfs/dbraw/zinc/48/42/64/825484264.db2.gz GNXLGWUWABIECE-HNNXBMFYSA-N 2 0 275.400 -0.271 20 0 CBADRP CC(=O)N1CCC[C@@H](C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001235053528 825485654 /nfs/dbraw/zinc/48/56/54/825485654.db2.gz UJNRSLFKXKEWQD-LSDHHAIUSA-N 2 0 280.416 -0.118 20 0 CBADRP CC(=O)N1CCC(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001235056061 825485696 /nfs/dbraw/zinc/48/56/96/825485696.db2.gz VPNLGOIBZHVCTC-OAHLLOKOSA-N 2 0 280.416 -0.118 20 0 CBADRP CC(=O)N1CCC(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001235056057 825485843 /nfs/dbraw/zinc/48/58/43/825485843.db2.gz VPNLGOIBZHVCTC-HNNXBMFYSA-N 2 0 280.416 -0.118 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CCCO[C@@]3(C[NH2+]CCOC3)C2)O1 ZINC001235197860 825488193 /nfs/dbraw/zinc/48/81/93/825488193.db2.gz LGLQUZKOEBOGOI-ZFWWWQNUSA-N 2 0 299.415 -0.208 20 0 CBADRP CNC(=O)CN1CC[C@H]1CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001235393230 825493984 /nfs/dbraw/zinc/49/39/84/825493984.db2.gz NMHOMXPTBUPNLA-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H](C(N)=O)N1CC[C@H]1CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001235395938 825494151 /nfs/dbraw/zinc/49/41/51/825494151.db2.gz YYGUWEUVYLWJPX-YPMHNXCESA-N 2 0 296.415 -0.123 20 0 CBADRP OC[C@H]1C[NH2+]CCN1Cc1ccccc1N1CC[NH2+]CC1 ZINC001235440033 825497139 /nfs/dbraw/zinc/49/71/39/825497139.db2.gz FCTXWRCRLRFHMP-OAHLLOKOSA-N 2 0 290.411 -0.138 20 0 CBADRP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@H+](CCCC[NH3+])C2 ZINC001235540518 825501678 /nfs/dbraw/zinc/50/16/78/825501678.db2.gz IELXFWHNAZGPEY-HIFRSBDPSA-N 2 0 299.415 -0.222 20 0 CBADRP C[NH+]1CCN(Cc2cn3c(n2)CN(CC[NH3+])CC3)CC1 ZINC001235541375 825502037 /nfs/dbraw/zinc/50/20/37/825502037.db2.gz KTOUWQAIRVDZIC-UHFFFAOYSA-N 2 0 278.404 -0.595 20 0 CBADRP CN1CC[NH+](C[C@H]2Cn3ccnc3CN(CC[NH3+])C2)CC1 ZINC001235614149 825505879 /nfs/dbraw/zinc/50/58/79/825505879.db2.gz BFPGSAUAMORSAL-CQSZACIVSA-N 2 0 292.431 -0.479 20 0 CBADRP CN1CCN(c2ncnc3c2CCN(CC[NH3+])CC3)CC1 ZINC001235636688 825509119 /nfs/dbraw/zinc/50/91/19/825509119.db2.gz HWFWYXWOVALDOP-UHFFFAOYSA-N 2 0 290.415 -0.412 20 0 CBADRP COC(=O)[C@H]1C[C@@H]([NH3+])CN(CC[C@H]2COC(C)(C)[NH2+]2)C1 ZINC001235778099 825513730 /nfs/dbraw/zinc/51/37/30/825513730.db2.gz VNQUSTJPBGBFJB-TUAOUCFPSA-N 2 0 285.388 -0.077 20 0 CBADRP Fc1cnc(CN2CC[NH2+]CCNCC[NH2+]CC2)nc1 ZINC001235869317 825514905 /nfs/dbraw/zinc/51/49/05/825514905.db2.gz COUVPJNUECOVJX-UHFFFAOYSA-N 2 0 282.367 -0.800 20 0 CBADRP Nc1cccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235869517 825515152 /nfs/dbraw/zinc/51/51/52/825515152.db2.gz DRJKMHJAXCEIPJ-UHFFFAOYSA-N 2 0 277.416 -0.147 20 0 CBADRP COc1cccc(CN2CC[NH2+]CCNCC[NH2+]CC2)n1 ZINC001235869730 825515286 /nfs/dbraw/zinc/51/52/86/825515286.db2.gz DTELJAIFKGUIET-UHFFFAOYSA-N 2 0 293.415 -0.325 20 0 CBADRP C[NH+]1CCC(C)(CN2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001235869078 825515501 /nfs/dbraw/zinc/51/55/01/825515501.db2.gz JKLYXXYVEGVUBM-UHFFFAOYSA-N 3 0 297.491 -0.197 20 0 CBADRP Cc1ncoc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869529 825515548 /nfs/dbraw/zinc/51/55/48/825515548.db2.gz GIZFFXPIVRDSIB-UHFFFAOYSA-N 2 0 267.377 -0.433 20 0 CBADRP COC(=O)C[C@@H]1C[NH2+]CCN1C[C@@H]1CCCC[NH2+]1 ZINC001235847338 825515560 /nfs/dbraw/zinc/51/55/60/825515560.db2.gz UCIWYUFFNNSCOO-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP c1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)ncn1 ZINC001235869682 825515780 /nfs/dbraw/zinc/51/57/80/825515780.db2.gz HPCIYPMAMDNHFY-UHFFFAOYSA-N 2 0 264.377 -0.939 20 0 CBADRP CCOC(C)(C)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235868114 825515798 /nfs/dbraw/zinc/51/57/98/825515798.db2.gz AICCHWFXYBHKPW-UHFFFAOYSA-N 2 0 272.437 -0.114 20 0 CBADRP Nc1cccc(F)c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871324 825516335 /nfs/dbraw/zinc/51/63/35/825516335.db2.gz SKIPFMOTQFKHAU-UHFFFAOYSA-N 2 0 295.406 -0.008 20 0 CBADRP c1ncc(CN2CC[NH2+]CCNCC[NH2+]CC2)cn1 ZINC001235870305 825516392 /nfs/dbraw/zinc/51/63/92/825516392.db2.gz KFHFWJMMUYGHIZ-UHFFFAOYSA-N 2 0 264.377 -0.939 20 0 CBADRP Cc1nc(CN2CC[NH2+]CCNCC[NH2+]CC2)co1 ZINC001235871946 825516450 /nfs/dbraw/zinc/51/64/50/825516450.db2.gz ZYUWVXNUINDKDR-UHFFFAOYSA-N 2 0 267.377 -0.433 20 0 CBADRP COCCCCN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871532 825516701 /nfs/dbraw/zinc/51/67/01/825516701.db2.gz UWFAAVPGDAPBOD-UHFFFAOYSA-N 2 0 258.410 -0.503 20 0 CBADRP [NH3+]CCCCC[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235871680 825516971 /nfs/dbraw/zinc/51/69/71/825516971.db2.gz VXYRPKXBDSELQL-UHFFFAOYSA-N 3 0 257.426 -0.800 20 0 CBADRP Cn1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)cn1 ZINC001235871052 825516850 /nfs/dbraw/zinc/51/68/50/825516850.db2.gz RSRPHPONWBMKRK-UHFFFAOYSA-N 2 0 266.393 -0.996 20 0 CBADRP C([C@H]1CCC[NH2+]C1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871055 825516855 /nfs/dbraw/zinc/51/68/55/825516855.db2.gz RTTQHIXXDDSORC-AWEZNQCLSA-N 3 0 269.437 -0.930 20 0 CBADRP Oc1cccnc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871343 825516942 /nfs/dbraw/zinc/51/69/42/825516942.db2.gz PMWMBFAHDITMJK-UHFFFAOYSA-N 2 0 279.388 -0.628 20 0 CBADRP COc1ncc(CN2CC[NH2+]CCNCC[NH2+]CC2)s1 ZINC001235870759 825516963 /nfs/dbraw/zinc/51/69/63/825516963.db2.gz KPEXTQMCIKXISW-UHFFFAOYSA-N 2 0 299.444 -0.264 20 0 CBADRP Oc1cncc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235871163 825517225 /nfs/dbraw/zinc/51/72/25/825517225.db2.gz QLLGNHZRZUNWKC-UHFFFAOYSA-N 2 0 279.388 -0.628 20 0 CBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@@H]3CC[NH2+]C3)C[C@H]1C2 ZINC001236020297 825519255 /nfs/dbraw/zinc/51/92/55/825519255.db2.gz FZPCYYDCQMNNCX-SSZWKKLZSA-N 3 0 293.411 -0.074 20 0 CBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](CCN(C)C)C[C@H]1C2 ZINC001236024056 825519416 /nfs/dbraw/zinc/51/94/16/825519416.db2.gz QPHGWIYCCJKRGX-COMQUAJESA-N 2 0 281.400 -0.122 20 0 CBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](CCO)C[C@H]1C2 ZINC001236021928 825519664 /nfs/dbraw/zinc/51/96/64/825519664.db2.gz KFKFWRDMCMMSEY-XZUYRWCXSA-N 2 0 254.330 -0.691 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1CC1CC[NH+](C)CC1 ZINC001236051614 825521080 /nfs/dbraw/zinc/52/10/80/825521080.db2.gz GETNLQZCIIAIEK-LBPRGKRZSA-N 2 0 255.362 -0.225 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001236194207 825522350 /nfs/dbraw/zinc/52/23/50/825522350.db2.gz DERADTCTEYALAE-VWYCJHECSA-N 2 0 271.361 -0.324 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1CCC12CC([NH3+])(C1)C2 ZINC001236194568 825522993 /nfs/dbraw/zinc/52/29/93/825522993.db2.gz OMVLNMDHMUAIHT-PGKBUCCNSA-N 2 0 253.346 -0.168 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cnc2n1CC[NH2+]CC2 ZINC001236196922 825524297 /nfs/dbraw/zinc/52/42/97/825524297.db2.gz NQCNHRYPYWHKGA-JQWIXIFHSA-N 2 0 293.371 -0.897 20 0 CBADRP [NH3+]CCNC(=O)c1cccc(CN2C[C@H]3C[NH2+]C[C@@H]32)c1 ZINC001236290136 825525924 /nfs/dbraw/zinc/52/59/24/825525924.db2.gz JEHAOBDUNFEOOK-KGLIPLIRSA-N 2 0 274.368 -0.221 20 0 CBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])CC[C@H]1CCCC[NH2+]1 ZINC001236308752 825527142 /nfs/dbraw/zinc/52/71/42/825527142.db2.gz GSQIQIRGAHTKOJ-CQSZACIVSA-N 3 0 299.463 -0.366 20 0 CBADRP COC(=O)[C@H]1CN(Cc2c[nH+]ccc2N)C[C@@H]1[NH3+] ZINC001236345982 825528497 /nfs/dbraw/zinc/52/84/97/825528497.db2.gz RQAKOCQNEKGVBK-ONGXEEELSA-N 2 0 250.302 -0.574 20 0 CBADRP COC(=O)[C@H]1CN(Cc2c[nH+]ccc2N)C[C@H]1[NH3+] ZINC001236345974 825528574 /nfs/dbraw/zinc/52/85/74/825528574.db2.gz RQAKOCQNEKGVBK-GXSJLCMTSA-N 2 0 250.302 -0.574 20 0 CBADRP COC(=O)[C@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)C[C@H]1[NH3+] ZINC001236349303 825529754 /nfs/dbraw/zinc/52/97/54/825529754.db2.gz GKHXJIMOUQRZNG-DTWKUNHWSA-N 2 0 296.396 -0.279 20 0 CBADRP C[C@@H]([NH3+])CN(CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236399208 825531930 /nfs/dbraw/zinc/53/19/30/825531930.db2.gz NIQVEZPCAGMJEE-CQSZACIVSA-N 2 0 284.448 -0.033 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(CCCC[NH3+])CC2 ZINC001237066166 825533381 /nfs/dbraw/zinc/53/33/81/825533381.db2.gz XLOZEZVQRNDZGQ-YPMHNXCESA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1ccc(N2CC[NH2+]CC2)nc1 ZINC001237476863 825534441 /nfs/dbraw/zinc/53/44/41/825534441.db2.gz CAQXTNIWOPQBHB-UHFFFAOYSA-N 2 0 285.373 -0.808 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1ccc2c(c1)C[C@H]([NH3+])C2 ZINC001237741179 825541957 /nfs/dbraw/zinc/54/19/57/825541957.db2.gz GHMZXCCCTDYQNF-SNVBAGLBSA-N 2 0 255.343 -0.187 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238141151 825546862 /nfs/dbraw/zinc/54/68/62/825546862.db2.gz XKIXWUIXGKLUKP-ZYHUDNBSSA-N 2 0 275.418 -0.239 20 0 CBADRP C[C@@H]1CC[C@H](CNS(=O)(=O)[C@@H]2CC[NH2+]C2)[NH2+]C1 ZINC001238141940 825546879 /nfs/dbraw/zinc/54/68/79/825546879.db2.gz KOXZLCDHBMVLFQ-GMTAPVOTSA-N 2 0 261.391 -0.344 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)C1CC[NH2+]CC1 ZINC001238151678 825547633 /nfs/dbraw/zinc/54/76/33/825547633.db2.gz QRDNKRKPOXNZBB-MWLCHTKSSA-N 2 0 261.391 -0.344 20 0 CBADRP O=S(=O)(N[C@@H]1C[NH2+]CC12CC2)C1CC[NH2+]CC1 ZINC001238240240 825549587 /nfs/dbraw/zinc/54/95/87/825549587.db2.gz AXJOTXYXNPNUGE-SNVBAGLBSA-N 2 0 259.375 -0.590 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001238171402 825549843 /nfs/dbraw/zinc/54/98/43/825549843.db2.gz VUHXWKCYHJPJFK-ZETCQYMHSA-N 2 0 275.296 -0.594 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1C[NH2+]CC12CC2 ZINC001238246223 825551036 /nfs/dbraw/zinc/55/10/36/825551036.db2.gz BPKXKTHCPOTRPB-NSHDSACASA-N 2 0 273.402 -0.343 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001238504496 825554598 /nfs/dbraw/zinc/55/45/98/825554598.db2.gz NNNOEAOGSHYCMF-WOPDTQHZSA-N 2 0 273.402 -0.487 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1CC[NH2+]C[C@H]1F ZINC001238500740 825554732 /nfs/dbraw/zinc/55/47/32/825554732.db2.gz QCUHFZMRKFWLGI-NWDGAFQWSA-N 2 0 293.408 -0.147 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1CC[NH2+]C[C@@H]1F ZINC001238500741 825554820 /nfs/dbraw/zinc/55/48/20/825554820.db2.gz QCUHFZMRKFWLGI-RYUDHWBXSA-N 2 0 293.408 -0.147 20 0 CBADRP O=S(=O)(NC[C@H]1Cc2ccccc2C[NH2+]1)[C@H]1CC[NH2+]C1 ZINC001238597118 825556406 /nfs/dbraw/zinc/55/64/06/825556406.db2.gz RBCWTRANDAVWAH-KGLIPLIRSA-N 2 0 295.408 -0.018 20 0 CBADRP [NH3+]CCCC[NH2+]CCCNS(=O)(=O)C1CC[NH2+]CC1 ZINC001238880240 825568387 /nfs/dbraw/zinc/56/83/87/825568387.db2.gz ZRVISKLQEGSZMY-UHFFFAOYSA-N 3 0 292.449 -0.624 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001238903394 825569877 /nfs/dbraw/zinc/56/98/77/825569877.db2.gz KBRIPEGADYSKPE-GHMZBOCLSA-N 2 0 279.381 -0.395 20 0 CBADRP [NH3+][C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@H]1F ZINC001238920762 825572392 /nfs/dbraw/zinc/57/23/92/825572392.db2.gz BIIINVKVXMSRHF-ZJUUUORDSA-N 2 0 265.354 -0.703 20 0 CBADRP C[C@]1([NH3+])CCCN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC001238937280 825573920 /nfs/dbraw/zinc/57/39/20/825573920.db2.gz UJHBPACFRLAUAC-MNOVXSKESA-N 2 0 261.391 -0.119 20 0 CBADRP [NH3+]C[C@@]1(O)CCCCN(S(=O)(=O)C2CC[NH2+]CC2)C1 ZINC001238943056 825575170 /nfs/dbraw/zinc/57/51/70/825575170.db2.gz JMTDXJWZARCBLG-LBPRGKRZSA-N 2 0 291.417 -0.756 20 0 CBADRP C[C@@H]1CCN(S(=O)(=O)C2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001238948894 825576234 /nfs/dbraw/zinc/57/62/34/825576234.db2.gz UMULJHMKFLOTLB-KOLCDFICSA-N 2 0 261.391 -0.263 20 0 CBADRP [NH3+]C[C@@H]1CN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CCC1(F)F ZINC001238953787 825577595 /nfs/dbraw/zinc/57/75/95/825577595.db2.gz RHDOSAWXXWQSOQ-RKDXNWHRSA-N 2 0 283.344 -0.406 20 0 CBADRP [NH3+][C@@H]1C[C@@H](F)CN(S(=O)(=O)C2CC[NH2+]CC2)C1 ZINC001238973907 825580679 /nfs/dbraw/zinc/58/06/79/825580679.db2.gz JPXJHGRRDQSNJR-RKDXNWHRSA-N 2 0 265.354 -0.561 20 0 CBADRP [NH3+]CCS(=O)(=O)N1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001239014212 825582026 /nfs/dbraw/zinc/58/20/26/825582026.db2.gz FAZFHAXCAHTJQU-ZDUSSCGKSA-N 2 0 295.408 -0.036 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CC(F)(F)CC12CC[NH2+]CC2 ZINC001239041586 825583719 /nfs/dbraw/zinc/58/37/19/825583719.db2.gz NEOGTNJHDCJGHL-UHFFFAOYSA-N 2 0 283.344 -0.262 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC001239073392 825584786 /nfs/dbraw/zinc/58/47/86/825584786.db2.gz AXLMOAMLNUKANA-MNOVXSKESA-N 2 0 261.391 -0.392 20 0 CBADRP [NH3+]CCS(=O)(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001239073426 825585041 /nfs/dbraw/zinc/58/50/41/825585041.db2.gz MZEIUKSFQVVMCV-RKDXNWHRSA-N 2 0 265.354 -0.716 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001239073267 825585051 /nfs/dbraw/zinc/58/50/51/825585051.db2.gz LCCPJBBHMIXVMS-NWDGAFQWSA-N 2 0 275.418 -0.014 20 0 CBADRP [NH3+]C1CC2(C1)CN(S(=O)(=O)CC1CC[NH2+]CC1)C2 ZINC001239091347 825586891 /nfs/dbraw/zinc/58/68/91/825586891.db2.gz OHDJARZQZRUARO-UHFFFAOYSA-N 2 0 273.402 -0.261 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001239130928 825592114 /nfs/dbraw/zinc/59/21/14/825592114.db2.gz OSKMRSARSRCFJE-QWRGUYRKSA-N 2 0 259.375 -0.781 20 0 CBADRP [NH3+]C[C@]1(F)CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001239143342 825595628 /nfs/dbraw/zinc/59/56/28/825595628.db2.gz QIYCRALSBTZILZ-LLVKDONJSA-N 2 0 279.381 -0.312 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@@H]2CC[C@H]1C[NH2+]2 ZINC001239141299 825595850 /nfs/dbraw/zinc/59/58/50/825595850.db2.gz AKGSKOGIMIPRAU-RYUDHWBXSA-N 2 0 273.402 -0.248 20 0 CBADRP O=S(=O)([C@@H]1CC[NH2+]C1)N1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001239184635 825596771 /nfs/dbraw/zinc/59/67/71/825596771.db2.gz UGSOUIIAYCMHGN-QJPTWQEYSA-N 2 0 273.402 -0.248 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+]C[C@H](O)CN1CCOCC1 ZINC001245981505 825615755 /nfs/dbraw/zinc/61/57/55/825615755.db2.gz HNFYVOHLFTVLRU-MJBXVCDLSA-N 2 0 271.405 -0.343 20 0 CBADRP CCOC[C@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001245971777 825615806 /nfs/dbraw/zinc/61/58/06/825615806.db2.gz HERPYZRXVHQPTK-OUAUKWLOSA-N 2 0 250.314 -0.964 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001245975647 825615910 /nfs/dbraw/zinc/61/59/10/825615910.db2.gz PLGVILOIOBLYPB-GMXVVIOVSA-N 3 0 277.384 -0.613 20 0 CBADRP C[C@H]1CC[C@H](NC[C@@H](O)CC2(O)CC[NH2+]CC2)C[NH2+]1 ZINC001245970885 825616103 /nfs/dbraw/zinc/61/61/03/825616103.db2.gz CKMCJRJETYGJGS-AVGNSLFASA-N 2 0 271.405 -0.418 20 0 CBADRP O[C@@H](CN[C@H]1CCC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245978802 825616181 /nfs/dbraw/zinc/61/61/81/825616181.db2.gz FTEMQCWLKTZXAI-NWDGAFQWSA-N 2 0 257.378 -0.807 20 0 CBADRP CCCOC[C@@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001245978095 825616521 /nfs/dbraw/zinc/61/65/21/825616521.db2.gz ZBYVHWHTCNXWMY-SDDRHHMPSA-N 2 0 264.341 -0.574 20 0 CBADRP OC1(C[NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)CC[NH2+]CC1 ZINC001245982246 825616625 /nfs/dbraw/zinc/61/66/25/825616625.db2.gz CSSXLANJEPBIMM-CYBMUJFWSA-N 3 0 282.432 -0.435 20 0 CBADRP CCCOC[C@H](O)C[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001245988884 825617501 /nfs/dbraw/zinc/61/75/01/825617501.db2.gz JKJWCFYQWOTQKK-CQSZACIVSA-N 2 0 271.405 -0.200 20 0 CBADRP CC(C)OC[C@@H](O)C[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001245991674 825618602 /nfs/dbraw/zinc/61/86/02/825618602.db2.gz WEJAELBMPLJVOY-AWEZNQCLSA-N 2 0 271.405 -0.202 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+]C[C@@H](O)CN2CCOCC2)C1 ZINC001245992437 825619338 /nfs/dbraw/zinc/61/93/38/825619338.db2.gz LXLDDAYVHUWAIW-BFHYXJOUSA-N 2 0 271.405 -0.485 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+]C[C@H](O)CN2CCOCC2)C1 ZINC001245992439 825619925 /nfs/dbraw/zinc/61/99/25/825619925.db2.gz LXLDDAYVHUWAIW-IHRRRGAJSA-N 2 0 271.405 -0.485 20 0 CBADRP [NH3+][C@H]1CCC[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246016725 825620519 /nfs/dbraw/zinc/62/05/19/825620519.db2.gz NGLNTHGHBTXFSP-QWHCGFSZSA-N 3 0 271.405 -0.335 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)COc1ccccc1 ZINC001246006064 825620349 /nfs/dbraw/zinc/62/03/49/825620349.db2.gz GVIWBNZRSYQENK-JSGCOSHPSA-N 2 0 295.383 -0.001 20 0 CBADRP O[C@@H](C[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F)CC1(O)CC[NH2+]CC1 ZINC001246011783 825620604 /nfs/dbraw/zinc/62/06/04/825620604.db2.gz JUGUQHHHLHHWDH-XQQFMLRXSA-N 3 0 289.395 -0.611 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246008859 825620707 /nfs/dbraw/zinc/62/07/07/825620707.db2.gz QDDDQGUKKCKDSM-QWRGUYRKSA-N 3 0 274.409 -0.692 20 0 CBADRP CCOC(=O)C1=C(NC[C@H](O)C[NH2+]C(C)(C)C)C[NH2+]C1 ZINC001246010196 825621061 /nfs/dbraw/zinc/62/10/61/825621061.db2.gz KQAJIMMBPINMOB-JTQLQIEISA-N 2 0 285.388 -0.255 20 0 CBADRP CC(C)(C)OC(=O)[C@@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246010120 825621068 /nfs/dbraw/zinc/62/10/68/825621068.db2.gz XLNCJCSIYIAASA-UWVGGRQHSA-N 2 0 289.376 -0.739 20 0 CBADRP CCOC(=O)C1=C(NC[C@@]2(O)CCC[NH2+]C2)C[NH2+]C1 ZINC001246008200 825621082 /nfs/dbraw/zinc/62/10/82/825621082.db2.gz CYFLNEZVGQCRON-CYBMUJFWSA-N 2 0 269.345 -0.889 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC[C@H](O)C[NH2+]C(C)(C)C ZINC001246005255 825621346 /nfs/dbraw/zinc/62/13/46/825621346.db2.gz FTDCBZAQGDWPHZ-QWRGUYRKSA-N 2 0 275.393 -0.395 20 0 CBADRP [NH3+][C@@H]1CCC[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246016722 825621266 /nfs/dbraw/zinc/62/12/66/825621266.db2.gz NGLNTHGHBTXFSP-OLZOCXBDSA-N 3 0 271.405 -0.335 20 0 CBADRP [NH3+]C[C@@]1(O)CCC[N@H+](C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001246020878 825622159 /nfs/dbraw/zinc/62/21/59/825622159.db2.gz MRXMFBQDJJETKC-CHWSQXEVSA-N 3 0 257.378 -0.723 20 0 CBADRP [NH3+][C@@H]1CCC[N@H+](C[C@H](O)CN2CCOCC2)CC1 ZINC001246018969 825622182 /nfs/dbraw/zinc/62/21/82/825622182.db2.gz ZYFZUFLXSRCNFP-OLZOCXBDSA-N 2 0 257.378 -0.507 20 0 CBADRP [NH3+][C@@H]1CCC[N@H+](C[C@@H](O)CN2CCOCC2)CC1 ZINC001246018966 825622256 /nfs/dbraw/zinc/62/22/56/825622256.db2.gz ZYFZUFLXSRCNFP-CHWSQXEVSA-N 2 0 257.378 -0.507 20 0 CBADRP [NH3+]C[C@H]1CN(C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@H]1O ZINC001246020660 825622333 /nfs/dbraw/zinc/62/23/33/825622333.db2.gz JPWMQMZFTLIJOT-BYNSBNAKSA-N 2 0 279.384 -0.831 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246024691 825623854 /nfs/dbraw/zinc/62/38/54/825623854.db2.gz POJKIDZFVFXTOD-KKUMJFAQSA-N 2 0 284.448 -0.285 20 0 CBADRP CC(C)(C)OC(=O)[C@H](O)C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246023029 825624366 /nfs/dbraw/zinc/62/43/66/825624366.db2.gz RTCQXVLQFRWTFM-RISCZKNCSA-N 2 0 288.388 -0.135 20 0 CBADRP CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246023601 825624648 /nfs/dbraw/zinc/62/46/48/825624648.db2.gz SGLWMZIFMDZRMW-QWHCGFSZSA-N 2 0 260.378 -0.052 20 0 CBADRP [NH3+]C[C@]1(O)CCCCN(C[C@]2(O)CCC[NH2+]C2)C1 ZINC001246025089 825625463 /nfs/dbraw/zinc/62/54/63/825625463.db2.gz SGFPXCOFHJAHON-OLZOCXBDSA-N 2 0 257.378 -0.723 20 0 CBADRP CC(C)OC[C@H](O)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246027562 825625591 /nfs/dbraw/zinc/62/55/91/825625591.db2.gz HTPBQFQKOQCMFV-CYBMUJFWSA-N 2 0 271.405 -0.200 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CN1CCNC2(CC[NH2+]CC2)C1 ZINC001246027552 825625796 /nfs/dbraw/zinc/62/57/96/825625796.db2.gz HKUKYYCMLPGOFR-CQSZACIVSA-N 2 0 284.448 -0.284 20 0 CBADRP CC(C)OC[C@@H](O)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246027565 825626091 /nfs/dbraw/zinc/62/60/91/825626091.db2.gz HTPBQFQKOQCMFV-ZDUSSCGKSA-N 2 0 271.405 -0.200 20 0 CBADRP O[C@@H](CN1CC[C@@H]2[NH2+]CC[C@H]21)CC1(O)CC[NH2+]CC1 ZINC001246026467 825626557 /nfs/dbraw/zinc/62/65/57/825626557.db2.gz NPEOTFABBHVAGC-FRRDWIJNSA-N 2 0 269.389 -0.712 20 0 CBADRP [NH3+][C@@]12C[C@@H]1CCN(C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246029303 825627655 /nfs/dbraw/zinc/62/76/55/825627655.db2.gz DAPJLSNKHGTCKH-SGMGOOAPSA-N 2 0 269.389 -0.725 20 0 CBADRP CC(C)OC[C@H](O)CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246031007 825627791 /nfs/dbraw/zinc/62/77/91/825627791.db2.gz ZPTNZDGZOPQUQQ-OLZOCXBDSA-N 2 0 257.378 -0.590 20 0 CBADRP N[C@H]1CN(C[C@H](O)CC2(O)CC[NH2+]CC2)CCC1(F)F ZINC001246031068 825627822 /nfs/dbraw/zinc/62/78/22/825627822.db2.gz HMAQDZRSCWVCHV-MNOVXSKESA-N 2 0 293.358 -0.480 20 0 CBADRP CCCOC[C@H](O)C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246043299 825628728 /nfs/dbraw/zinc/62/87/28/825628728.db2.gz BKPVCVYOUVBBMD-DAAZQVBGSA-N 2 0 258.362 -0.321 20 0 CBADRP [NH3+][C@]12CC[C@@H]1CN(C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246044958 825628830 /nfs/dbraw/zinc/62/88/30/825628830.db2.gz IKXVNTMPXLIFKG-BZPMIXESSA-N 2 0 269.389 -0.725 20 0 CBADRP CCOC(=O)[C@]12CN(C[C@]3(O)CC[NH2+]C3)C[C@H]1C[NH2+]CC2 ZINC001246043210 825629603 /nfs/dbraw/zinc/62/96/03/825629603.db2.gz AXDBBNZTLNODSE-VHDGCEQUSA-N 3 0 297.399 -0.815 20 0 CBADRP COC(=O)[C@@H]1CN(C[C@H](O)C[NH2+]C(C)(C)C)C[C@H]1[NH3+] ZINC001246052489 825630349 /nfs/dbraw/zinc/63/03/49/825630349.db2.gz MVYAMMOGXWSFQB-GMTAPVOTSA-N 2 0 273.377 -0.833 20 0 CBADRP O[C@@H](CN1CCOCC1)C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246054472 825630673 /nfs/dbraw/zinc/63/06/73/825630673.db2.gz ZQMNVHHUOHZZJV-ZNMIVQPWSA-N 2 0 283.416 -0.389 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CN1C[C@H]([NH3+])C[C@H]1C(=O)OC ZINC001246064544 825631673 /nfs/dbraw/zinc/63/16/73/825631673.db2.gz NCWXNBHRKKQOOX-UTUOFQBUSA-N 2 0 273.377 -0.736 20 0 CBADRP CC[C@@]1(C(=O)OC)C[C@@H]([NH2+][C@@H](C)CN2CC[NH2+]CC2)CN1 ZINC001246082931 825633333 /nfs/dbraw/zinc/63/33/33/825633333.db2.gz ZKYROZDRKRWEMS-GUTXKFCHSA-N 2 0 298.431 -0.447 20 0 CBADRP O[C@@]1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]C[C@@H]1F ZINC001246080140 825633674 /nfs/dbraw/zinc/63/36/74/825633674.db2.gz GGJSYDKSLDXWGY-CKIKVBCHSA-N 3 0 257.353 -0.079 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)CN2CC[NH2+]CC2)CN1 ZINC001246080816 825633682 /nfs/dbraw/zinc/63/36/82/825633682.db2.gz OPUVQAHBNGXACS-XQQFMLRXSA-N 2 0 284.404 -0.837 20 0 CBADRP FC(F)(F)[C@@]1(N[C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001246078495 825633829 /nfs/dbraw/zinc/63/38/29/825633829.db2.gz AXJTWUKZUURHIU-GXSJLCMTSA-N 2 0 278.322 -0.036 20 0 CBADRP c1cnc(N2CC[C@H]([NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)C2)nc1 ZINC001246083483 825634031 /nfs/dbraw/zinc/63/40/31/825634031.db2.gz ZOWUXWQZBYCGSX-OLZOCXBDSA-N 2 0 288.399 -0.261 20 0 CBADRP C(CCN1CC[NH2+]CC1)C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246090397 825634699 /nfs/dbraw/zinc/63/46/99/825634699.db2.gz WZQZNJAEUSNUKU-CQSZACIVSA-N 3 0 281.448 -0.645 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)CN1 ZINC001246095840 825635343 /nfs/dbraw/zinc/63/53/43/825635343.db2.gz JNNNKJOLHZOHPC-OLZOCXBDSA-N 2 0 284.404 -0.883 20 0 CBADRP O[C@@]1(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCCC[NH2+]C1 ZINC001246114954 825635734 /nfs/dbraw/zinc/63/57/34/825635734.db2.gz XFRWOZIKLMFYNE-JSGCOSHPSA-N 3 0 268.405 -0.825 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CC2(C(=O)OC)CC[NH2+]CC2)CN1 ZINC001246099138 825636186 /nfs/dbraw/zinc/63/61/86/825636186.db2.gz WFWCMBIFCKEPCC-QWRGUYRKSA-N 2 0 299.371 -0.978 20 0 CBADRP C[C@@H]1CC[C@@H](NCCC(=O)N2CC[NH2+]CC2)C[NH2+]1 ZINC001246107207 825636449 /nfs/dbraw/zinc/63/64/49/825636449.db2.gz GTLNXINTYJWILF-VXGBXAGGSA-N 2 0 254.378 -0.462 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCN2CC[NH2+]CC2)CN1 ZINC001246115381 825636622 /nfs/dbraw/zinc/63/66/22/825636622.db2.gz SDORKPMVWNTKCL-KGLIPLIRSA-N 2 0 298.431 -0.445 20 0 CBADRP CC[C@@]1(C(=O)OC)C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)CN1 ZINC001246116316 825637377 /nfs/dbraw/zinc/63/73/77/825637377.db2.gz YUBCFRBDIKRFCD-HIFRSBDPSA-N 2 0 298.431 -0.445 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001246126060 825637407 /nfs/dbraw/zinc/63/74/07/825637407.db2.gz KGYVWUUWTGDOJM-KGLIPLIRSA-N 3 0 294.443 -0.171 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)O2)CN1 ZINC001246129173 825637530 /nfs/dbraw/zinc/63/75/30/825637530.db2.gz CPINJCUNMRPDHE-UPJWGTAASA-N 2 0 297.399 -0.219 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)O2)CN1 ZINC001246129174 825637576 /nfs/dbraw/zinc/63/75/76/825637576.db2.gz CPINJCUNMRPDHE-XQQFMLRXSA-N 2 0 297.399 -0.219 20 0 CBADRP CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]CCN2CC[NH2+]CC2)CN1 ZINC001246121400 825637597 /nfs/dbraw/zinc/63/75/97/825637597.db2.gz ZAWVSNIZOUBXRT-OLZOCXBDSA-N 2 0 298.431 -0.447 20 0 CBADRP C(N[C@H]1CCC[NH2+]C1)c1nnn2c1C[NH2+]CCC2 ZINC001246128813 825637766 /nfs/dbraw/zinc/63/77/66/825637766.db2.gz FKIUTXOABODYQV-JTQLQIEISA-N 2 0 250.350 -0.387 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CC2(C[NH2+]C2)CO1 ZINC001246127133 825637902 /nfs/dbraw/zinc/63/79/02/825637902.db2.gz KLNOFPHNFSLXBO-NWDGAFQWSA-N 3 0 266.389 -0.952 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC3(C[NH2+]C3)CO2)CN1 ZINC001246131033 825638680 /nfs/dbraw/zinc/63/86/80/825638680.db2.gz QPEVXBXRILQOJT-SRVKXCTJSA-N 2 0 283.372 -0.752 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246131778 825638720 /nfs/dbraw/zinc/63/87/20/825638720.db2.gz KCUHQKJUZZFVLD-NJMOYASZSA-N 2 0 283.372 -0.896 20 0 CBADRP C[C@@H]1C[C@@H](N[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)CC[NH2+]1 ZINC001246133569 825639508 /nfs/dbraw/zinc/63/95/08/825639508.db2.gz OKKSHBYAEQZOKV-OUAUKWLOSA-N 2 0 273.402 -0.754 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(N[C@@H]2CC[NH2+]C3(CCC3)C2)N1 ZINC001246140315 825640040 /nfs/dbraw/zinc/64/00/40/825640040.db2.gz AQXNFBPDHSFPAD-UHIISALHSA-N 2 0 264.373 -0.171 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(N[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)N1 ZINC001246143303 825640152 /nfs/dbraw/zinc/64/01/52/825640152.db2.gz HTARJGTUELLFFA-VGDATSSVSA-N 2 0 250.346 -0.563 20 0 CBADRP C([NH2+][C@@H]1CCCNC1)[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001246141141 825640224 /nfs/dbraw/zinc/64/02/24/825640224.db2.gz COHMVANPWXOSMU-MGPQQGTHSA-N 2 0 269.389 -0.277 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(N[C@@H]2CC[NH2+]C3(CCC3)C2)N1 ZINC001246140314 825640477 /nfs/dbraw/zinc/64/04/77/825640477.db2.gz AQXNFBPDHSFPAD-SUNKGSAMSA-N 2 0 264.373 -0.171 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2[C@@H]3C[C@H]2C[NH2+]C3)CN1 ZINC001246144088 825640535 /nfs/dbraw/zinc/64/05/35/825640535.db2.gz BFSIFGPXVONBRR-KZZRWZIVSA-N 2 0 253.346 -0.523 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCOC23C[NH2+]C3)CN1 ZINC001246139660 825640576 /nfs/dbraw/zinc/64/05/76/825640576.db2.gz VCMTYCHGFMDFKB-XQQFMLRXSA-N 2 0 297.399 -0.362 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@]2(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)N1 ZINC001246143295 825640603 /nfs/dbraw/zinc/64/06/03/825640603.db2.gz HTARJGTUELLFFA-AXIJKSLLSA-N 2 0 250.346 -0.563 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)CN1 ZINC001246148969 825640976 /nfs/dbraw/zinc/64/09/76/825640976.db2.gz OWCGUFGUMRMYFT-XGFWRYKXSA-N 2 0 297.399 -0.506 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@H]1C[C@H]3C[NH2+]C[C@H]3C1)CCN2 ZINC001246149028 825641001 /nfs/dbraw/zinc/64/10/01/825641001.db2.gz PSJDRVBCEFWFPM-YVECIDJPSA-N 3 0 250.390 -0.332 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@@H]1CO[C@]3(CC[NH2+]C3)C1)CCN2 ZINC001246148934 825641008 /nfs/dbraw/zinc/64/10/08/825641008.db2.gz BBVBNGCEFXPBDN-MBNYWOFBSA-N 3 0 266.389 -0.809 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)CN1 ZINC001246148965 825641111 /nfs/dbraw/zinc/64/11/11/825641111.db2.gz OWCGUFGUMRMYFT-BJJPWKGXSA-N 2 0 297.399 -0.506 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CN1 ZINC001246145991 825641379 /nfs/dbraw/zinc/64/13/79/825641379.db2.gz GQVQFEIGXCQAFH-OSUNSFLBSA-N 2 0 253.346 -0.523 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246148460 825641433 /nfs/dbraw/zinc/64/14/33/825641433.db2.gz SOXSEEMVWFKYBM-KBPBESRZSA-N 3 0 293.459 -0.456 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CN1 ZINC001246145312 825641512 /nfs/dbraw/zinc/64/15/12/825641512.db2.gz MEDWIQIJWSWXFW-UPJWGTAASA-N 2 0 296.415 -0.646 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@@H]1CCO[C@]3(CC[NH2+]C3)C1)CCN2 ZINC001246146232 825641572 /nfs/dbraw/zinc/64/15/72/825641572.db2.gz FSFSCYPMMCVXSL-GZBFAFLISA-N 3 0 280.416 -0.419 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CC[C@@H]2[C@H]3C[NH2+]C[C@H]32)CN1 ZINC001246151754 825642377 /nfs/dbraw/zinc/64/23/77/825642377.db2.gz QTZQCTOPFPZFKN-NGDQXYMTSA-N 2 0 253.346 -0.665 20 0 CBADRP CC1(C)C[C@H](N[C@@]23CC[NH2+][C@H]2CC(=O)N3)CC[NH2+]1 ZINC001246155023 825643672 /nfs/dbraw/zinc/64/36/72/825643672.db2.gz WLBBIRDHHNDSKJ-GBIKHYSHSA-N 2 0 252.362 -0.315 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CO[C@@]3(CC[NH2+]C3)C2)CN1 ZINC001246155443 825643346 /nfs/dbraw/zinc/64/33/46/825643346.db2.gz YKOZUVPGQLMPJH-MNXVOIDGSA-N 2 0 283.372 -0.609 20 0 CBADRP COC(=O)C12CC([NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)(C1)C2 ZINC001246158115 825643725 /nfs/dbraw/zinc/64/37/25/825643725.db2.gz FAUMSZOTJZXVCA-PWQPVHBWSA-N 2 0 265.357 -0.234 20 0 CBADRP C[C@H]1CC[C@@H](NCCC[NH+](CCO)CCO)C[NH2+]1 ZINC001246162310 825644223 /nfs/dbraw/zinc/64/42/23/825644223.db2.gz ODDFGLANZFTXHB-QWHCGFSZSA-N 2 0 259.394 -0.607 20 0 CBADRP Fc1cnc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246172513 825644273 /nfs/dbraw/zinc/64/42/73/825644273.db2.gz HNVNXMKTPYBVFE-SNVBAGLBSA-N 2 0 251.309 -0.201 20 0 CBADRP O=c1[nH][nH]cc1CCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246173256 825644339 /nfs/dbraw/zinc/64/43/39/825644339.db2.gz KRMUGLRAPMBNNA-WDEREUQCSA-N 2 0 265.361 -0.818 20 0 CBADRP CCNC(=O)N1CCC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246178650 825645670 /nfs/dbraw/zinc/64/56/70/825645670.db2.gz NHJWCBNIGDZFCT-ZDUSSCGKSA-N 2 0 295.431 -0.136 20 0 CBADRP CC(C)[C@](C)([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246183033 825646685 /nfs/dbraw/zinc/64/66/85/825646685.db2.gz DWOFXZZKIVOMEY-PWSUYJOCSA-N 2 0 254.378 -0.430 20 0 CBADRP CC(=O)N1CCC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246184302 825646816 /nfs/dbraw/zinc/64/68/16/825646816.db2.gz JJVXHVVKEUQWOM-STQMWFEESA-N 2 0 266.389 -0.319 20 0 CBADRP OCC1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCOCC1 ZINC001246184864 825646839 /nfs/dbraw/zinc/64/68/39/825646839.db2.gz QDZXVIVCMGLEHQ-NSHDSACASA-N 2 0 255.362 -0.789 20 0 CBADRP CS(=O)(=O)CCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246183298 825646874 /nfs/dbraw/zinc/64/68/74/825646874.db2.gz XEHHPPISVAOTJW-SNVBAGLBSA-N 2 0 261.391 -0.895 20 0 CBADRP CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246182687 825647426 /nfs/dbraw/zinc/64/74/26/825647426.db2.gz SSVYLTBFICQUSP-VXGBXAGGSA-N 2 0 268.405 -0.073 20 0 CBADRP OC1(CC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246188018 825648369 /nfs/dbraw/zinc/64/83/69/825648369.db2.gz QMOZAHWWMRCJRP-GFCCVEGCSA-N 3 0 268.405 -0.825 20 0 CBADRP CN1C[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCC1=O ZINC001246195979 825649098 /nfs/dbraw/zinc/64/90/98/825649098.db2.gz VPCRLDYDMZXUEN-QWRGUYRKSA-N 2 0 252.362 -0.709 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CN1 ZINC001246197988 825649340 /nfs/dbraw/zinc/64/93/40/825649340.db2.gz NBCKNYBSHRMWTO-SRVKXCTJSA-N 2 0 255.362 -0.131 20 0 CBADRP CN1C[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCC1=O ZINC001246195978 825649396 /nfs/dbraw/zinc/64/93/96/825649396.db2.gz VPCRLDYDMZXUEN-MNOVXSKESA-N 2 0 252.362 -0.709 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])CC2)CN1 ZINC001246200373 825649471 /nfs/dbraw/zinc/64/94/71/825649471.db2.gz DTFSKUQQEMKCFM-KXNHARMFSA-N 2 0 255.362 -0.003 20 0 CBADRP O=C([C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]C2)C[NH2+]1)N1CCSC1 ZINC001246196562 825649865 /nfs/dbraw/zinc/64/98/65/825649865.db2.gz GWVBJTZJFXVKKQ-UPJWGTAASA-N 2 0 298.456 -0.161 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)CN1 ZINC001246209396 825650467 /nfs/dbraw/zinc/65/04/67/825650467.db2.gz HSVUMCDMRIXNOO-KXNHARMFSA-N 2 0 255.362 -0.132 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)CN1 ZINC001246209412 825650641 /nfs/dbraw/zinc/65/06/41/825650641.db2.gz HSVUMCDMRIXNOO-YFKTTZPYSA-N 2 0 255.362 -0.132 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CCNC(=O)N2CCOCC2)CC[NH2+]1 ZINC001246208087 825651046 /nfs/dbraw/zinc/65/10/46/825651046.db2.gz BMLLCICQNMZVAW-RYUDHWBXSA-N 2 0 270.377 -0.242 20 0 CBADRP COC(=O)[C@@H](N)CCCNC(=[NH2+])NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246214713 825651562 /nfs/dbraw/zinc/65/15/62/825651562.db2.gz RSLNBMCNVOKWSD-MBYGNEARSA-N 2 0 297.403 -0.336 20 0 CBADRP COCCC[NH+]1CCC(N[C@@H]2CN[C@H](C(=O)OC)C2)CC1 ZINC001246218949 825651893 /nfs/dbraw/zinc/65/18/93/825651893.db2.gz AOISBCHCRIWGLI-KBPBESRZSA-N 2 0 299.415 -0.020 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C2CN(C3CC[NH2+]CC3)C2)CN1 ZINC001246216473 825651921 /nfs/dbraw/zinc/65/19/21/825651921.db2.gz APRCPVXOIHCBKZ-RISCZKNCSA-N 2 0 296.415 -0.694 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H](N[C@@H]2CC[NH2+]C[C@H]2OC)CN1 ZINC001246218154 825651935 /nfs/dbraw/zinc/65/19/35/825651935.db2.gz MVKSDRUFNBJWEG-WISYIIOYSA-N 2 0 271.361 -0.754 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+]C1CN(C3CC[NH2+]CC3)C1)CCO2 ZINC001246215573 825652225 /nfs/dbraw/zinc/65/22/25/825652225.db2.gz QMLAGHJTRMYSDV-GFCCVEGCSA-N 3 0 280.416 -0.467 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[NH2+]C[C@@H]2F)CN1 ZINC001246223915 825653190 /nfs/dbraw/zinc/65/31/90/825653190.db2.gz UTLDJQDHLMSJQM-RCWTZXSCSA-N 2 0 259.325 -0.573 20 0 CBADRP CC(C)N1C[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246227652 825653469 /nfs/dbraw/zinc/65/34/69/825653469.db2.gz AXBXZVYIODBWBL-RYUDHWBXSA-N 2 0 266.389 -0.321 20 0 CBADRP CCC1(N[C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[NH2+]C1 ZINC001246236254 825654145 /nfs/dbraw/zinc/65/41/45/825654145.db2.gz OPPZTJQDPHWWNU-QWRGUYRKSA-N 2 0 284.429 -0.409 20 0 CBADRP COC(=O)[C@@H]1CC[C@H](NC(=[NH2+])C2CC[NH2+]CC2)CN1 ZINC001246235008 825654270 /nfs/dbraw/zinc/65/42/70/825654270.db2.gz XMRICPNNEQLVFP-QWRGUYRKSA-N 2 0 268.361 -0.154 20 0 CBADRP CCC1(N[C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[NH2+]C1 ZINC001246236253 825654355 /nfs/dbraw/zinc/65/43/55/825654355.db2.gz OPPZTJQDPHWWNU-MNOVXSKESA-N 2 0 284.429 -0.409 20 0 CBADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246235232 825654448 /nfs/dbraw/zinc/65/44/48/825654448.db2.gz QUSSUVWRVJXRLQ-AWEZNQCLSA-N 3 0 282.432 -0.626 20 0 CBADRP CN1C[C@@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246236912 825654453 /nfs/dbraw/zinc/65/44/53/825654453.db2.gz ZPNUWRCLKBNXDE-GHMZBOCLSA-N 2 0 252.362 -0.852 20 0 CBADRP [NH3+][C@@H]1CCc2nn([C@H]3CCNC4(C[NH2+]C4)C3)cc2C1 ZINC001246241206 825655539 /nfs/dbraw/zinc/65/55/39/825655539.db2.gz YHVTZPWOSJSZGU-NEPJUHHUSA-N 2 0 261.373 -0.034 20 0 CBADRP CCOC(=O)CC1(N[C@H]2CSC3(C[NH2+]C3)C2)C[NH2+]C1 ZINC001246248101 825656388 /nfs/dbraw/zinc/65/63/88/825656388.db2.gz IRXIUZWXMUKJKK-SNVBAGLBSA-N 2 0 285.413 -0.281 20 0 CBADRP CN1CCN(C(=O)CC[NH2+]C2CC[NH2+]CC2)CC1 ZINC001246256885 825656612 /nfs/dbraw/zinc/65/66/12/825656612.db2.gz RLQBRXSVKUVAAB-UHFFFAOYSA-N 2 0 254.378 -0.508 20 0 CBADRP [NH3+]CCN(c1ccccn1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246256458 825657095 /nfs/dbraw/zinc/65/70/95/825657095.db2.gz PLXGEVNLEVTVEW-LBPRGKRZSA-N 2 0 261.373 -0.059 20 0 CBADRP O=C1CCC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CN1 ZINC001246260986 825657734 /nfs/dbraw/zinc/65/77/34/825657734.db2.gz CHQVAHMSFAEXPD-MNOVXSKESA-N 2 0 252.362 -0.661 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)CN1 ZINC001246279502 825659457 /nfs/dbraw/zinc/65/94/57/825659457.db2.gz LFZKFFKTPSQIHP-TUAOUCFPSA-N 2 0 255.362 -0.131 20 0 CBADRP CC1(C)OC[C@@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)O1 ZINC001246277992 825659718 /nfs/dbraw/zinc/65/97/18/825659718.db2.gz JDSSLHQIHFVSOT-GHMZBOCLSA-N 2 0 255.362 -0.179 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1N[C@H]1CCCC[NH2+]C1 ZINC001246299613 825661870 /nfs/dbraw/zinc/66/18/70/825661870.db2.gz LKXIRFCLFDXUDS-QJPTWQEYSA-N 2 0 255.362 -0.131 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@H]1NC1CCC2(CC1)C[NH2+]CCO2 ZINC001246300507 825661988 /nfs/dbraw/zinc/66/19/88/825661988.db2.gz RXSMIKNGWODAQI-RJZJGCCBSA-N 2 0 269.389 -0.543 20 0 CBADRP COCCC[NH+]1CCC(N[C@@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001246298307 825662451 /nfs/dbraw/zinc/66/24/51/825662451.db2.gz AGYUBWPRDHZNPF-GXTWGEPZSA-N 2 0 271.405 -0.343 20 0 CBADRP COC(=O)C1C[C@@H]2CC(N[C@H]3C[NH2+]C[C@H]3CO)C[C@H](C1)[NH2+]2 ZINC001246302041 825662496 /nfs/dbraw/zinc/66/24/96/825662496.db2.gz ZYPIBWRJLHQXEP-AHMGJCLSSA-N 2 0 297.399 -0.772 20 0 CBADRP CN1CCC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1=O ZINC001246307143 825663038 /nfs/dbraw/zinc/66/30/38/825663038.db2.gz BTAPOVXVZMHTRP-MNOVXSKESA-N 2 0 252.362 -0.709 20 0 CBADRP OC[C@@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1ccccn1 ZINC001246306962 825663083 /nfs/dbraw/zinc/66/30/83/825663083.db2.gz CIZDTXPXSJXPJM-DGCLKSJQSA-N 2 0 262.357 -0.201 20 0 CBADRP OC[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1ccncc1 ZINC001246310882 825663350 /nfs/dbraw/zinc/66/33/50/825663350.db2.gz OIQFZWVXRWIJCD-STQMWFEESA-N 2 0 262.357 -0.201 20 0 CBADRP COC(=O)C1CC(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246319324 825664234 /nfs/dbraw/zinc/66/42/34/825664234.db2.gz WBXUOFKGLOHBSF-HTAVTVPLSA-N 2 0 267.373 -0.131 20 0 CBADRP CN(C)C(=O)N1CCC[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246327914 825664413 /nfs/dbraw/zinc/66/44/13/825664413.db2.gz KDDYESRWFSEZGJ-QWHCGFSZSA-N 2 0 295.431 -0.184 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CCCN2CCS(=O)(=O)CC2)CC[NH2+]1 ZINC001246335727 825665219 /nfs/dbraw/zinc/66/52/19/825665219.db2.gz LOIFWJYGPUOOSN-STQMWFEESA-N 2 0 289.445 -0.163 20 0 CBADRP O=S1(=O)CCN(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246331952 825665531 /nfs/dbraw/zinc/66/55/31/825665531.db2.gz CNLFGIRFXIAWPN-FUNVUKJBSA-N 2 0 287.429 -0.411 20 0 CBADRP CC(=O)NCCCCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246332077 825665771 /nfs/dbraw/zinc/66/57/71/825665771.db2.gz DGEYLMRGYZAAKP-ZDUSSCGKSA-N 2 0 268.405 -0.024 20 0 CBADRP CCOC(=O)C1(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]C1 ZINC001246342604 825666668 /nfs/dbraw/zinc/66/66/68/825666668.db2.gz CFVDZNDHZVRRFF-ZACCUICWSA-N 2 0 253.346 -0.236 20 0 CBADRP CCOC(=O)[C@@H](C)C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246353229 825667847 /nfs/dbraw/zinc/66/78/47/825667847.db2.gz KEUALLDBAXPQBM-QWRGUYRKSA-N 2 0 255.362 -0.131 20 0 CBADRP COCCC1(C[NH2+][C@H]2CN[C@H](C(=O)OC)C2)CC[NH2+]CC1 ZINC001246369259 825669553 /nfs/dbraw/zinc/66/95/53/825669553.db2.gz GMQCACOTLIWFRS-OLZOCXBDSA-N 2 0 299.415 -0.114 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCN2CCC([NH3+])CC2)CN1 ZINC001246405473 825671733 /nfs/dbraw/zinc/67/17/33/825671733.db2.gz LAYWFSJEMJYBAV-OLZOCXBDSA-N 2 0 284.404 -0.707 20 0 CBADRP c1cc(N2CC([NH2+][C@H]3CCNC4(C[NH2+]C4)C3)C2)ncn1 ZINC001246405149 825671783 /nfs/dbraw/zinc/67/17/83/825671783.db2.gz JQQNJKANWVZTSX-NSHDSACASA-N 2 0 274.372 -0.651 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246414494 825671969 /nfs/dbraw/zinc/67/19/69/825671969.db2.gz IDRAAQLYPYZYAL-USZNOCQGSA-N 3 0 254.378 -0.443 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001246420734 825672464 /nfs/dbraw/zinc/67/24/64/825672464.db2.gz ZWLWRMZUPMQYJA-SRVKXCTJSA-N 2 0 282.388 -0.288 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001246420735 825673026 /nfs/dbraw/zinc/67/30/26/825673026.db2.gz ZWLWRMZUPMQYJA-TUAOUCFPSA-N 2 0 282.388 -0.288 20 0 CBADRP CC(=O)OCN1CCC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246465284 825674823 /nfs/dbraw/zinc/67/48/23/825674823.db2.gz MBQBCUQDSMQWSL-AWEZNQCLSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(C)C(=O)C1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCC1 ZINC001246465363 825675248 /nfs/dbraw/zinc/67/52/48/825675248.db2.gz WVRXFBOYOKDKCN-NSHDSACASA-N 2 0 266.389 -0.319 20 0 CBADRP COC(=O)[C@H]1C[C@H](NCCC[NH2+]CCCC[NH3+])CN1 ZINC001246457671 825675405 /nfs/dbraw/zinc/67/54/05/825675405.db2.gz PZEQDDVORWNOCT-NWDGAFQWSA-N 2 0 272.393 -0.802 20 0 CBADRP OC[C@@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1cccnc1 ZINC001246475155 825676328 /nfs/dbraw/zinc/67/63/28/825676328.db2.gz SAHHNXYASAQAEK-CHWSQXEVSA-N 2 0 262.357 -0.201 20 0 CBADRP COC(=O)C1C[C@@H]2CC(NC[C@H]3C[NH2+]CCN3)C[C@H](C1)[NH2+]2 ZINC001246491005 825677174 /nfs/dbraw/zinc/67/71/74/825677174.db2.gz SAAVMLDJWORQRB-MYXTYHMWSA-N 2 0 296.415 -0.790 20 0 CBADRP COC(=O)[C@H](N[C@H]1CC[NH2+][C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC001246498467 825677484 /nfs/dbraw/zinc/67/74/84/825677484.db2.gz RPBLJGWWIVTLSW-WISYIIOYSA-N 2 0 255.362 -0.132 20 0 CBADRP COC(=O)[C@H](N[C@@H]1CC[NH2+][C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC001246498465 825677547 /nfs/dbraw/zinc/67/75/47/825677547.db2.gz RPBLJGWWIVTLSW-NNYUYHANSA-N 2 0 255.362 -0.132 20 0 CBADRP COC(=O)[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC001246498468 825677643 /nfs/dbraw/zinc/67/76/43/825677643.db2.gz RPBLJGWWIVTLSW-WRWGMCAJSA-N 2 0 255.362 -0.132 20 0 CBADRP O=C1CCC[C@@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)N1 ZINC001246504499 825679031 /nfs/dbraw/zinc/67/90/31/825679031.db2.gz BNGFFVIRSJGTBT-MNOVXSKESA-N 2 0 252.362 -0.661 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H](C2CCC2)C2C[NH2+]C2)CN1 ZINC001246513335 825679042 /nfs/dbraw/zinc/67/90/42/825679042.db2.gz CURKNEFFSFKDAG-FRRDWIJNSA-N 2 0 267.373 -0.132 20 0 CBADRP COC(=O)[C@H]1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246524559 825680243 /nfs/dbraw/zinc/68/02/43/825680243.db2.gz GVIBWNACRMBHKQ-RYUDHWBXSA-N 2 0 267.373 -0.035 20 0 CBADRP c1cnc(N2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)nc1 ZINC001246531521 825681212 /nfs/dbraw/zinc/68/12/12/825681212.db2.gz ULHNCWZXZXAJNL-CYBMUJFWSA-N 2 0 288.399 -0.307 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)CN1 ZINC001246542514 825682363 /nfs/dbraw/zinc/68/23/63/825682363.db2.gz PTPLAGLHOMIFDL-QCNOEVLYSA-N 2 0 255.362 -0.193 20 0 CBADRP OC[C@@H]1C[C@H](F)C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246553472 825685051 /nfs/dbraw/zinc/68/50/51/825685051.db2.gz YFTYRRPJQOGTNS-GRYCIOLGSA-N 2 0 257.353 -0.267 20 0 CBADRP C[N@H+](C[C@@H]1CNCCO1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246556056 825685174 /nfs/dbraw/zinc/68/51/74/825685174.db2.gz HMNUAIAFLQOQCM-NEPJUHHUSA-N 2 0 254.378 -0.999 20 0 CBADRP CCOC(=O)CN1CCC([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246561520 825686045 /nfs/dbraw/zinc/68/60/45/825686045.db2.gz UZOXJRHNMFKXRZ-CHWSQXEVSA-N 2 0 285.388 -0.592 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCN(C3CC3)C(=O)C2)C[C@@H]1O ZINC001246578978 825689245 /nfs/dbraw/zinc/68/92/45/825689245.db2.gz DJGUMKBAACKLMI-WCQGTBRESA-N 2 0 253.346 -0.609 20 0 CBADRP [NH3+][C@H]1CN([C@H]2CCNC3(C[NH2+]C3)C2)CC(F)(F)C1 ZINC001246575567 825689324 /nfs/dbraw/zinc/68/93/24/825689324.db2.gz QDXRRCLDOCSNQA-ZJUUUORDSA-N 2 0 260.332 -0.251 20 0 CBADRP CCOC(=O)[C@H]1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CO1 ZINC001246578854 825689561 /nfs/dbraw/zinc/68/95/61/825689561.db2.gz CXHJAUFOCWLSNP-FIQHERPVSA-N 2 0 272.345 -0.652 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246585207 825690078 /nfs/dbraw/zinc/69/00/78/825690078.db2.gz NETQMOQDPJUOGV-WRWGMCAJSA-N 2 0 256.346 -0.030 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+](C2CCN(c3ncccn3)CC2)C[C@H]1O ZINC001246582950 825690095 /nfs/dbraw/zinc/69/00/95/825690095.db2.gz HQUJHBGGOIMNBY-WCQYABFASA-N 2 0 277.372 -0.303 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246580669 825690610 /nfs/dbraw/zinc/69/06/10/825690610.db2.gz NETQMOQDPJUOGV-RHYQMDGZSA-N 2 0 256.346 -0.030 20 0 CBADRP C[NH+](C)C[C@@H]1CN([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246584466 825690656 /nfs/dbraw/zinc/69/06/56/825690656.db2.gz AUYFVXQMEHXXAY-CHWSQXEVSA-N 2 0 268.405 -0.657 20 0 CBADRP N[C@@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC[C@H]1F ZINC001246583641 825690760 /nfs/dbraw/zinc/69/07/60/825690760.db2.gz IAQUDPJZUUMNNR-IJLUTSLNSA-N 2 0 256.369 -0.158 20 0 CBADRP COC(=O)C1C[C@@H]2CC(N3C[C@H](O)[C@@H](C[NH3+])C3)C[C@H](C1)[NH2+]2 ZINC001246582320 825691274 /nfs/dbraw/zinc/69/12/74/825691274.db2.gz WNQXJWCVVQNZRF-AHMGJCLSSA-N 2 0 297.399 -0.690 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](N2CCC3(CC2)C[NH2+]CCO3)CN1 ZINC001246603232 825693880 /nfs/dbraw/zinc/69/38/80/825693880.db2.gz NGDZOTFXOZTKSJ-NEPJUHHUSA-N 2 0 283.372 -0.656 20 0 CBADRP C1C[NH2+]C[C@H](N2CCOC[C@@]3(C[NH2+]CCO3)C2)C1 ZINC001246603043 825694271 /nfs/dbraw/zinc/69/42/71/825694271.db2.gz LYMGSETVTBUSTE-CHWSQXEVSA-N 2 0 255.362 -0.571 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246599685 825694284 /nfs/dbraw/zinc/69/42/84/825694284.db2.gz DGTUOWMAKOPTCP-TUAOUCFPSA-N 2 0 255.362 -0.036 20 0 CBADRP COC(=O)[C@@H]1C[C@H](F)CN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246605900 825694453 /nfs/dbraw/zinc/69/44/53/825694453.db2.gz RTJYFYZTHQWZIP-DCAQKATOSA-N 2 0 271.336 -0.334 20 0 CBADRP C1C[C@@]2(CCC[NH2+]C2)N1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246599418 825694564 /nfs/dbraw/zinc/69/45/64/825694564.db2.gz CQPJYYDACLGGIC-GXTWGEPZSA-N 3 0 250.390 -0.092 20 0 CBADRP C1C[C@]2(CCCN([C@@H]3CCNC4(C[NH2+]C4)C3)C2)[NH2+]1 ZINC001246613906 825695348 /nfs/dbraw/zinc/69/53/48/825695348.db2.gz RNKSAFXCYZBCQX-OLZOCXBDSA-N 2 0 250.390 -0.092 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3C[NH2+]CC[C@H]32)CN1 ZINC001246625006 825696312 /nfs/dbraw/zinc/69/63/12/825696312.db2.gz QORGSYKEEDTQKR-WHOHXGKFSA-N 2 0 253.346 -0.426 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CCO[C@@]3(CCC[NH2+]C3)C1)CCN2 ZINC001246622751 825696700 /nfs/dbraw/zinc/69/67/00/825696700.db2.gz RVTQKUIJGSMYBR-UKRRQHHQSA-N 2 0 280.416 -0.465 20 0 CBADRP C1C[C@@]2(C[NH2+]1)CNCCN2C1CCC2(CC1)C[NH2+]CCO2 ZINC001246622087 825696742 /nfs/dbraw/zinc/69/67/42/825696742.db2.gz GFPATONDGMPQEU-HWOWSKLDSA-N 2 0 294.443 -0.075 20 0 CBADRP C1C[NH2+]C[C@H](N2CCO[C@@]3(C2)C[NH2+]CCOC3)C1 ZINC001246623618 825696872 /nfs/dbraw/zinc/69/68/72/825696872.db2.gz BCCXKLZXNBNQME-CHWSQXEVSA-N 2 0 255.362 -0.571 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3C[NH2+]CC[C@H]32)CN1 ZINC001246631398 825697818 /nfs/dbraw/zinc/69/78/18/825697818.db2.gz SJMCFDQSTSEISG-ZDEQEGDKSA-N 2 0 267.373 -0.036 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCO[C@@H]3C[NH2+]CC[C@@H]3C1)CCN2 ZINC001246630705 825698257 /nfs/dbraw/zinc/69/82/57/825698257.db2.gz KUGOZJMJDMHFJP-HZSPNIEDSA-N 3 0 280.416 -0.609 20 0 CBADRP O=C1NCC[C@]12CN([C@@H]1CCC[NH2+]C1)CC21C[NH2+]C1 ZINC001246630568 825698318 /nfs/dbraw/zinc/69/83/18/825698318.db2.gz SVDAWKTYWMLCRY-RISCZKNCSA-N 2 0 264.373 -0.850 20 0 CBADRP O=C([C@@H]1C[C@@H](N2CC[C@H]3[NH2+]CC[C@H]32)C[NH2+]1)N1CCSC1 ZINC001246636908 825699357 /nfs/dbraw/zinc/69/93/57/825699357.db2.gz HFFSWKBJLNVQQK-FVCCEPFGSA-N 2 0 296.440 -0.314 20 0 CBADRP O=C([C@@H]1C[C@H](N2CC[C@H]3[NH2+]CC[C@H]32)C[NH2+]1)N1CCSC1 ZINC001246636909 825699673 /nfs/dbraw/zinc/69/96/73/825699673.db2.gz HFFSWKBJLNVQQK-QNWHQSFQSA-N 2 0 296.440 -0.314 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CCCCC13C[NH2+]C3)CCN2 ZINC001246641710 825700521 /nfs/dbraw/zinc/70/05/21/825700521.db2.gz KSPTWXJIBWJHSX-GFCCVEGCSA-N 2 0 250.390 -0.092 20 0 CBADRP O=C1CC[C@@H]2C[C@@H]([N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)CCN12 ZINC001246645324 825702121 /nfs/dbraw/zinc/70/21/21/825702121.db2.gz UHNWDHSDBWJNIH-GZBFAFLISA-N 2 0 278.400 -0.223 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCOC[C@]3(CCC[NH2+]C3)C1)CCN2 ZINC001246645365 825702299 /nfs/dbraw/zinc/70/22/99/825702299.db2.gz KOSVQMLBVASUNC-CABCVRRESA-N 3 0 294.443 -0.218 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCN[C@@]3(CC[NH2+]C3)C1)CS2 ZINC001246646100 825702489 /nfs/dbraw/zinc/70/24/89/825702489.db2.gz WKGWNFWTVMLSBR-VXGBXAGGSA-N 3 0 268.430 -0.529 20 0 CBADRP [NH3+][C@@]12CCC[C@@H]1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246660633 825703593 /nfs/dbraw/zinc/70/35/93/825703593.db2.gz FBFGCMQOGUKGDS-YRGRVCCFSA-N 3 0 250.390 -0.106 20 0 CBADRP O=C1NCC[C@]12CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246668822 825705452 /nfs/dbraw/zinc/70/54/52/825705452.db2.gz OPPYHGQGKGOOFB-DGCLKSJQSA-N 2 0 264.373 -0.708 20 0 CBADRP COCC[NH+]1CCN([C@@H]2CN[C@H](C(=O)OC)C2)CC1 ZINC001246677906 825706314 /nfs/dbraw/zinc/70/63/14/825706314.db2.gz ADPLEGDGSOVXLP-RYUDHWBXSA-N 2 0 271.361 -0.846 20 0 CBADRP COC(=O)C1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246679785 825706424 /nfs/dbraw/zinc/70/64/24/825706424.db2.gz XTFKBZBUJGEXPY-LBPRGKRZSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)CN1[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246688303 825706854 /nfs/dbraw/zinc/70/68/54/825706854.db2.gz FVFJMQDNOLHBJT-LOWDOPEQSA-N 2 0 298.456 -0.068 20 0 CBADRP COCc1nn([C@H]2CCNC3(C[NH2+]C3)C2)c2c1C[NH2+]C2 ZINC001246712150 825707360 /nfs/dbraw/zinc/70/73/60/825707360.db2.gz FEXZFKFTCDGMCB-JTQLQIEISA-N 2 0 277.372 -0.101 20 0 CBADRP CCO[C@@H]1C[C@H]2CN([C@@H]3CCNC4(C[NH2+]C4)C3)CC[N@@H+]2C1 ZINC001246737057 825709113 /nfs/dbraw/zinc/70/91/13/825709113.db2.gz AHYORNRPQLNBNW-QLFBSQMISA-N 2 0 294.443 -0.125 20 0 CBADRP C([C@H]1CCCO1)N1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246778670 825710372 /nfs/dbraw/zinc/71/03/72/825710372.db2.gz WPTVDTJGYDYYJJ-HUUCEWRRSA-N 2 0 294.443 -0.123 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH+]1CCN(C3CC[NH2+]CC3)CC1)CCN2 ZINC001246785399 825710829 /nfs/dbraw/zinc/71/08/29/825710829.db2.gz AOCMPECCXLEDQK-HNNXBMFYSA-N 3 0 293.459 -0.550 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246795984 825711693 /nfs/dbraw/zinc/71/16/93/825711693.db2.gz DJKSKMFRZWUPMT-WYUUTHIRSA-N 2 0 255.362 -0.051 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@@H](N3CCOCC3)C1)CCN2 ZINC001246795833 825712037 /nfs/dbraw/zinc/71/20/37/825712037.db2.gz KKEJWKWFVZASBK-ZIAGYGMSSA-N 2 0 280.416 -0.513 20 0 CBADRP CS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246803130 825712745 /nfs/dbraw/zinc/71/27/45/825712745.db2.gz MJIPSLYHAXDDTB-GHMZBOCLSA-N 2 0 273.402 -0.801 20 0 CBADRP NC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246794045 825712220 /nfs/dbraw/zinc/71/22/20/825712220.db2.gz WFRAMQULKNTNRM-MNOVXSKESA-N 2 0 252.362 -0.580 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246795978 825712432 /nfs/dbraw/zinc/71/24/32/825712432.db2.gz DJKSKMFRZWUPMT-WHOHXGKFSA-N 2 0 255.362 -0.051 20 0 CBADRP COC(=O)CC1C[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246799283 825713229 /nfs/dbraw/zinc/71/32/29/825713229.db2.gz XQLKXIYHJZFTGN-LLVKDONJSA-N 2 0 253.346 -0.425 20 0 CBADRP c1cnnc(N2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246811674 825715056 /nfs/dbraw/zinc/71/50/56/825715056.db2.gz GNIZHVHKKUAPEG-ZDUSSCGKSA-N 2 0 288.399 -0.307 20 0 CBADRP COC(=O)C[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246817445 825715180 /nfs/dbraw/zinc/71/51/80/825715180.db2.gz KVENWNAOMKHGHD-NWDGAFQWSA-N 2 0 283.372 -0.656 20 0 CBADRP COC(=O)C[C@@H]1C[NH2+]CCN1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246812923 825715200 /nfs/dbraw/zinc/71/52/00/825715200.db2.gz FQRYNUYVMOOSHH-GRYCIOLGSA-N 2 0 255.362 -0.036 20 0 CBADRP CCOC(=O)N1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246818995 825715813 /nfs/dbraw/zinc/71/58/13/825715813.db2.gz FIGDINDCIVWQEP-LBPRGKRZSA-N 2 0 282.388 -0.146 20 0 CBADRP O=C1OC[C@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CCN12 ZINC001246819933 825716469 /nfs/dbraw/zinc/71/64/69/825716469.db2.gz LGLPSVQIBWFSBL-WDEREUQCSA-N 2 0 266.345 -0.783 20 0 CBADRP CCOCC[C@H](C)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246819763 825716512 /nfs/dbraw/zinc/71/65/12/825716512.db2.gz IJNXALVLAYWECW-AWEZNQCLSA-N 2 0 272.437 -0.114 20 0 CBADRP C[C@@H]1C[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)CC[NH2+]1 ZINC001246819062 825716598 /nfs/dbraw/zinc/71/65/98/825716598.db2.gz FVHABXOOGAAGOF-ZIAGYGMSSA-N 3 0 269.437 -0.789 20 0 CBADRP C1C[C@@H]2C[C@H](N3CC[NH2+]CCNCC[NH2+]CC3)C[C@H](C1)[NH2+]2 ZINC001246823843 825717081 /nfs/dbraw/zinc/71/70/81/825717081.db2.gz WVMHUINXHUXUQV-ZSHCYNCHSA-N 3 0 295.475 -0.256 20 0 CBADRP C[NH2+]CC[C@H](C)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246823049 825717397 /nfs/dbraw/zinc/71/73/97/825717397.db2.gz UIMBOWZIDDHYHV-ZDUSSCGKSA-N 3 0 257.426 -0.931 20 0 CBADRP C[NH2+]CC[C@@H](C)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246823026 825717882 /nfs/dbraw/zinc/71/78/82/825717882.db2.gz UIMBOWZIDDHYHV-CYBMUJFWSA-N 3 0 257.426 -0.931 20 0 CBADRP CC(C)[C@@H]1C[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)CC[NH2+]1 ZINC001246823790 825717988 /nfs/dbraw/zinc/71/79/88/825717988.db2.gz WOKXEIZPYILJLO-HOTGVXAUSA-N 3 0 297.491 -0.153 20 0 CBADRP COCC[N@H+](C1CC[NH2+]CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246837133 825718450 /nfs/dbraw/zinc/71/84/50/825718450.db2.gz QOEWWONLRRQNCT-CQSZACIVSA-N 3 0 282.432 -0.219 20 0 CBADRP O=C1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]2CCCN12 ZINC001246838577 825718614 /nfs/dbraw/zinc/71/86/14/825718614.db2.gz YMOLTIDMXCKVBM-NEPJUHHUSA-N 2 0 264.373 -0.613 20 0 CBADRP COC(=O)[C@H]1[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246839026 825718806 /nfs/dbraw/zinc/71/88/06/825718806.db2.gz AGEKZMLXCPVZAB-NNYUYHANSA-N 2 0 265.357 -0.569 20 0 CBADRP C[NH+](C)CCN1CCN([C@H]2CCC[NH2+]C2)CCC1=O ZINC001246838992 825719236 /nfs/dbraw/zinc/71/92/36/825719236.db2.gz GRAVRIDNVUCKPC-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP FCCN1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246828824 825719451 /nfs/dbraw/zinc/71/94/51/825719451.db2.gz DJFCPAZRJVCENI-LBPRGKRZSA-N 2 0 256.369 -0.333 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CC[NH+]3CCC1CC3)CCN2 ZINC001246847986 825719860 /nfs/dbraw/zinc/71/98/60/825719860.db2.gz UHFZGINPGDAHHQ-ZDUSSCGKSA-N 2 0 250.390 -0.140 20 0 CBADRP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246843145 825721573 /nfs/dbraw/zinc/72/15/73/825721573.db2.gz UEYMPXPTYGHBOR-XQQFMLRXSA-N 3 0 250.390 -0.426 20 0 CBADRP C[N@H+](CCC1OCCO1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246840615 825721603 /nfs/dbraw/zinc/72/16/03/825721603.db2.gz OMSSCEBKSLIYCW-LLVKDONJSA-N 2 0 255.362 -0.225 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246856489 825722872 /nfs/dbraw/zinc/72/28/72/825722872.db2.gz BJRJZFOMOSDWMY-USZNOCQGSA-N 2 0 255.362 -0.038 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001246857142 825723005 /nfs/dbraw/zinc/72/30/05/825723005.db2.gz KWJDFLWZLCFPKM-OLZOCXBDSA-N 2 0 267.373 -0.083 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246857282 825723100 /nfs/dbraw/zinc/72/31/00/825723100.db2.gz OEAFTKCWNWBJRD-UWVGGRQHSA-N 2 0 271.386 -0.719 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1[C@H]1CC2CC[NH+](CC2)C1 ZINC001246857143 825723125 /nfs/dbraw/zinc/72/31/25/825723125.db2.gz KWJDFLWZLCFPKM-STQMWFEESA-N 2 0 267.373 -0.083 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@H]3COC[C@@H](C1)N3)CCN2 ZINC001246852830 825723160 /nfs/dbraw/zinc/72/31/60/825723160.db2.gz KSIXNCFUBDILAA-XQQFMLRXSA-N 2 0 266.389 -0.857 20 0 CBADRP COC(=O)[C@@H]([NH3+])C1CCN([C@@H]2CCC[NH2+]C2)CC1 ZINC001246864874 825723635 /nfs/dbraw/zinc/72/36/35/825723635.db2.gz PTNNKJVWLHNTAR-NEPJUHHUSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C1NC(=O)C2(CC[NH+](C3CC[NH2+]CC3)CC2)N1 ZINC001246860870 825723810 /nfs/dbraw/zinc/72/38/10/825723810.db2.gz BZEKEAFENOQTOQ-UHFFFAOYSA-N 2 0 252.318 -0.588 20 0 CBADRP O=C([C@@H]1C[C@@H](N(C2CC2)C2C[NH2+]C2)C[NH2+]1)N1CCSC1 ZINC001246861638 825723835 /nfs/dbraw/zinc/72/38/35/825723835.db2.gz CRNVRKJWYVSVFH-YPMHNXCESA-N 2 0 296.440 -0.314 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CCN1 ZINC001246862240 825724489 /nfs/dbraw/zinc/72/44/89/825724489.db2.gz QNFPYPGIGSAWGL-HNCHTBHHSA-N 2 0 253.346 -0.297 20 0 CBADRP CC(=O)N1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@@H](C)C1 ZINC001246860682 825724506 /nfs/dbraw/zinc/72/45/06/825724506.db2.gz WRCHCXLEHTZAGB-AAEUAGOBSA-N 2 0 266.389 -0.367 20 0 CBADRP CC[C@]1(C(=O)OC)C[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)CN1 ZINC001246871363 825725484 /nfs/dbraw/zinc/72/54/84/825725484.db2.gz QVYMNVKDBLYUPA-UKRRQHHQSA-N 2 0 298.431 -0.493 20 0 CBADRP CCOC(=O)C[N@H+](CC)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246888496 825727152 /nfs/dbraw/zinc/72/71/52/825727152.db2.gz BIKOWFPTENMPAZ-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]1)[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246887719 825727848 /nfs/dbraw/zinc/72/78/48/825727848.db2.gz BBZSBPATIHVONL-XQQFMLRXSA-N 2 0 298.456 -0.066 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246901852 825728990 /nfs/dbraw/zinc/72/89/90/825728990.db2.gz AIHHMOZTQNMRMB-GDGRRUBZSA-N 2 0 253.346 -0.156 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246901850 825729022 /nfs/dbraw/zinc/72/90/22/825729022.db2.gz AIHHMOZTQNMRMB-GCHJQGSQSA-N 2 0 253.346 -0.156 20 0 CBADRP C[C@H]1CN(C)C(=O)C[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246891928 825729068 /nfs/dbraw/zinc/72/90/68/825729068.db2.gz OFXUTZPBRPNOAR-QWRGUYRKSA-N 2 0 252.362 -0.757 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246901830 825729247 /nfs/dbraw/zinc/72/92/47/825729247.db2.gz AEPRFLCGPOWKHS-GDGRRUBZSA-N 2 0 251.330 -0.380 20 0 CBADRP COC(=O)CNC(=O)[C@@H]1CCCN1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246910849 825730100 /nfs/dbraw/zinc/73/01/00/825730100.db2.gz MJTDSYXVWTYTCL-UTUOFQBUSA-N 2 0 283.372 -0.120 20 0 CBADRP CC[C@]1(C(=O)OC)C[C@@H](N2C[C@H]([NH3+])C[C@H]2C(=O)OC)CN1 ZINC001246909481 825730303 /nfs/dbraw/zinc/73/03/03/825730303.db2.gz XMAAMHCJAHWISN-NJBDSQKTSA-N 2 0 299.371 -0.755 20 0 CBADRP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2C[C@@H]3C[NH2+]C[C@H]32)CN1 ZINC001246914308 825730344 /nfs/dbraw/zinc/73/03/44/825730344.db2.gz BZQPSFSKLRLYEB-FIQHERPVSA-N 2 0 267.373 -0.038 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246904662 825730505 /nfs/dbraw/zinc/73/05/05/825730505.db2.gz NFPFWEDEXBNIQG-AXFHLTTASA-N 2 0 269.345 -0.918 20 0 CBADRP COC(=O)C1C[C@@H]2CC(N3C[C@@H]4C[NH2+]C[C@@H]43)C[C@H](C1)[NH2+]2 ZINC001246922352 825731670 /nfs/dbraw/zinc/73/16/70/825731670.db2.gz VWRSTBCXNITDEF-AHMGJCLSSA-N 2 0 279.384 -0.038 20 0 CBADRP O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCC[NH2+]C2)N1 ZINC001246925597 825732915 /nfs/dbraw/zinc/73/29/15/825732915.db2.gz ZBDIMXUFUFRWNE-XRJCIJSOSA-N 2 0 278.356 -0.057 20 0 CBADRP O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCC[NH2+]C2)N1 ZINC001246925595 825732986 /nfs/dbraw/zinc/73/29/86/825732986.db2.gz ZBDIMXUFUFRWNE-JSIFYMHPSA-N 2 0 278.356 -0.057 20 0 CBADRP CC[NH+]1CCC(N2C[C@H]([NH3+])[C@@H](C(=O)OC)C2)CC1 ZINC001246929958 825733238 /nfs/dbraw/zinc/73/32/38/825733238.db2.gz IXGQMDGOXRIPJE-RYUDHWBXSA-N 2 0 255.362 -0.097 20 0 CBADRP COC(=O)[C@@H]1CN(C2C[C@@H]3C=C[C@H](C2)[NH2+]3)C[C@@H]1[NH3+] ZINC001246930486 825734097 /nfs/dbraw/zinc/73/40/97/825734097.db2.gz AYYDFRXWSPXHHV-RTWBTXMESA-N 2 0 251.330 -0.523 20 0 CBADRP COC(=O)[C@H]1C[N@@H+](C2CCC3(C[NH2+]C3)CC2)C[C@@H]1N ZINC001246934685 825734369 /nfs/dbraw/zinc/73/43/69/825734369.db2.gz VWGQTKMXWMUYFJ-RYUDHWBXSA-N 2 0 267.373 -0.049 20 0 CBADRP C[NH2+]C1CCC([N@@H+]2C[C@@H](N)[C@@H](C(=O)OC)C2)CC1 ZINC001246935882 825734570 /nfs/dbraw/zinc/73/45/70/825734570.db2.gz ZHMQFUIRSRPODF-MMVSWEMESA-N 2 0 255.362 -0.051 20 0 CBADRP COC(=O)[C@H]1CN([C@H]2CC[C@H](C)[NH2+]C2)CC[C@@H]1[NH3+] ZINC001246946250 825735327 /nfs/dbraw/zinc/73/53/27/825735327.db2.gz GWAYKSIQNDMLHB-BJDJZHNGSA-N 2 0 255.362 -0.051 20 0 CBADRP COCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246954617 825735678 /nfs/dbraw/zinc/73/56/78/825735678.db2.gz LWVUROVUWHKGTK-OLZOCXBDSA-N 2 0 296.415 -0.693 20 0 CBADRP C([C@@H]1CN([C@H]2CCNC3(C[NH2+]C3)C2)CCO1)[NH+]1CCCC1 ZINC001246978071 825736801 /nfs/dbraw/zinc/73/68/01/825736801.db2.gz IXSBOCPYDATFCT-LSDHHAIUSA-N 2 0 294.443 -0.123 20 0 CBADRP CC(C)C(=O)N1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246961726 825737048 /nfs/dbraw/zinc/73/70/48/825737048.db2.gz PLHSLZQBHPFNIA-ZDUSSCGKSA-N 2 0 280.416 -0.119 20 0 CBADRP CNC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246966719 825737779 /nfs/dbraw/zinc/73/77/79/825737779.db2.gz ZSCGXGZTDXHFRJ-NWDGAFQWSA-N 2 0 281.404 -0.526 20 0 CBADRP CCN1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246985476 825739814 /nfs/dbraw/zinc/73/98/14/825739814.db2.gz CAFUMGVWTGWBDB-AVGNSLFASA-N 2 0 250.390 -0.141 20 0 CBADRP FC(F)(F)[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246993748 825740279 /nfs/dbraw/zinc/74/02/79/825740279.db2.gz UCUFGSFANPHZEB-ZJUUUORDSA-N 2 0 278.322 -0.084 20 0 CBADRP O=C1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC2(CCCC2)N1 ZINC001246998253 825740813 /nfs/dbraw/zinc/74/08/13/825740813.db2.gz YGEVILMGTHTLEN-GFCCVEGCSA-N 2 0 278.400 -0.175 20 0 CBADRP C[NH+](C)CCN([C@H]1CCC[NH2+]C1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246992204 825741126 /nfs/dbraw/zinc/74/11/26/825741126.db2.gz YOBBFLCZDLFPDN-GJZGRUSLSA-N 3 0 295.475 -0.304 20 0 CBADRP O=C1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC2(CCCC2)N1 ZINC001246998255 825741305 /nfs/dbraw/zinc/74/13/05/825741305.db2.gz YGEVILMGTHTLEN-LBPRGKRZSA-N 2 0 278.400 -0.175 20 0 CBADRP [NH3+]C[C@@H](O)Cc1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001247500541 825742059 /nfs/dbraw/zinc/74/20/59/825742059.db2.gz PJVXTDVICMZLDX-VIFPVBQESA-N 2 0 275.312 -0.361 20 0 CBADRP C[NH+](C)CCNC(=S)N1CC(N2CC[NH+](C)CC2)C1 ZINC001249836871 825749718 /nfs/dbraw/zinc/74/97/18/825749718.db2.gz JCPVYHDDMDHJTL-UHFFFAOYSA-N 2 0 285.461 -0.646 20 0 CBADRP C[NH+](C)CCNC(=S)NC1(CO)CC[NH+](C)CC1 ZINC001249852992 825750835 /nfs/dbraw/zinc/75/08/35/825750835.db2.gz CRSBCCCDPIZWGM-UHFFFAOYSA-N 2 0 274.434 -0.531 20 0 CBADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H](O)CN1CCOCC1)C2 ZINC001251035840 825768352 /nfs/dbraw/zinc/76/83/52/825768352.db2.gz PKKVMDMJUCIHFQ-LXTVHRRPSA-N 2 0 283.416 -0.106 20 0 CBADRP O[C@H](C[NH2+]CC12CC[NH+](CC1)CC2)CN1CCOCC1 ZINC001251039481 825769953 /nfs/dbraw/zinc/76/99/53/825769953.db2.gz GXFSXKHONKRGSE-CQSZACIVSA-N 2 0 283.416 -0.245 20 0 CBADRP CC(C)CN1CC[C@H]([NH2+]C[C@H](O)CN2CCOCC2)C1 ZINC001251045367 825770733 /nfs/dbraw/zinc/77/07/33/825770733.db2.gz HHIOELHYZTZUAN-GJZGRUSLSA-N 2 0 285.432 -0.001 20 0 CBADRP CCOC[C@@H](O)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC001252044140 825814109 /nfs/dbraw/zinc/81/41/09/825814109.db2.gz PDCUPOKTFJPXJY-ZDUSSCGKSA-N 2 0 260.378 -0.322 20 0 CBADRP C[NH+]1CCC(C[NH+]2CCN(C[C@H](O)CO)CC2)CC1 ZINC001252061997 825823934 /nfs/dbraw/zinc/82/39/34/825823934.db2.gz CDCMMXIWTAPMTP-AWEZNQCLSA-N 2 0 271.405 -0.701 20 0 CBADRP COC(=O)[C@@H](O)CNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001252412185 825841945 /nfs/dbraw/zinc/84/19/45/825841945.db2.gz BMWJJACLECUPEF-ZDUSSCGKSA-N 2 0 294.355 -0.221 20 0 CBADRP COC(=O)[C@@H](O)CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001252420769 825850231 /nfs/dbraw/zinc/85/02/31/825850231.db2.gz RUMVYCYLYLXRFR-ZDUSSCGKSA-N 2 0 289.420 -0.274 20 0 CBADRP COC[C@@H](O)C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001252816494 825890282 /nfs/dbraw/zinc/89/02/82/825890282.db2.gz BMWQWCNPXKXWPL-ZDUSSCGKSA-N 2 0 259.394 -0.437 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H]1CCOC[C@H]1C(=O)OC ZINC001253212821 825907172 /nfs/dbraw/zinc/90/71/72/825907172.db2.gz ISGXOYREPYQZKK-XQQFMLRXSA-N 2 0 288.388 -0.143 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CNCCC[N@H+](C)CCO ZINC001253217193 825907281 /nfs/dbraw/zinc/90/72/81/825907281.db2.gz UWDLPBVUUUOYJD-ZDUSSCGKSA-N 2 0 261.410 -0.407 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1C[C@H](O)C[NH2+]C(C)(C)C ZINC001253395042 825911720 /nfs/dbraw/zinc/91/17/20/825911720.db2.gz YZNKXFOARUJOFG-QWHCGFSZSA-N 2 0 273.421 -0.002 20 0 CBADRP CN1C[C@@H](C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)CC1=O ZINC001253405239 825913708 /nfs/dbraw/zinc/91/37/08/825913708.db2.gz SMDGAZSAYNWKBC-MNOVXSKESA-N 2 0 257.378 -0.197 20 0 CBADRP CN1CCN(C(=[NH2+])NC[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253406208 825914279 /nfs/dbraw/zinc/91/42/79/825914279.db2.gz CTJUOVLMJGHJEL-NSHDSACASA-N 2 0 271.409 -0.493 20 0 CBADRP C[NH+](C)CCCN(CCC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC001254321449 825950679 /nfs/dbraw/zinc/95/06/79/825950679.db2.gz YCYCCILHMJYHKY-LBPRGKRZSA-N 2 0 277.434 -0.224 20 0 CBADRP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001254504051 825964471 /nfs/dbraw/zinc/96/44/71/825964471.db2.gz RTEOBOIVHVONFN-VEGXAWMVSA-N 2 0 258.362 -0.837 20 0 CBADRP C[N@@H+]1CCC[C@H]([NH2+]CCN2CCS(=O)(=O)CC2)CC1 ZINC001254508671 825965433 /nfs/dbraw/zinc/96/54/33/825965433.db2.gz KXGBBACELWWORI-ZDUSSCGKSA-N 2 0 289.445 -0.209 20 0 CBADRP C[N@@H+]1CCC[C@@H](N(C2C[NH2+]C2)S(C)(=O)=O)CC1 ZINC001254526192 825966078 /nfs/dbraw/zinc/96/60/78/825966078.db2.gz PMWSLBYGDMHPBD-SNVBAGLBSA-N 2 0 261.391 -0.296 20 0 CBADRP COC(=O)[C@H](C[NH3+])CN[C@H]1CC2CC[NH+](CC2)C1 ZINC001254841481 825970327 /nfs/dbraw/zinc/97/03/27/825970327.db2.gz XHPXZTZMSIWSRJ-NEPJUHHUSA-N 2 0 255.362 -0.192 20 0 CBADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)C[NH3+])C1 ZINC001255583651 825989828 /nfs/dbraw/zinc/98/98/28/825989828.db2.gz KIEBGJVWXGONBE-ZJUUUORDSA-N 2 0 259.350 -0.095 20 0 CBADRP [NH3+]CCN(CC[NH2+]C1CCN(C2CC2)CC1)N(O)N=O ZINC001256071373 826000598 /nfs/dbraw/zinc/00/05/98/826000598.db2.gz UBHRPKZDUPSCCH-UHFFFAOYSA-N 2 0 286.380 -0.249 20 0 CBADRP C[NH+]1CCC(NCCC[NH+](CCO)CCO)CC1 ZINC001256195061 826004178 /nfs/dbraw/zinc/00/41/78/826004178.db2.gz YMJSYRVPRMRIAS-UHFFFAOYSA-N 2 0 259.394 -0.653 20 0 CBADRP C[C@@H](CC(=O)N1CCOCC1)[NH+]1CCN(CC[NH3+])CC1 ZINC001256321922 826010090 /nfs/dbraw/zinc/01/00/90/826010090.db2.gz TXTOJBKNFCGSTB-ZDUSSCGKSA-N 2 0 284.404 -0.800 20 0 CBADRP C[C@H](CC(=O)N1CCOCC1)[NH2+]CCN(C)CC[NH3+] ZINC001256327126 826011561 /nfs/dbraw/zinc/01/15/61/826011561.db2.gz AQCFADCEIJRDRR-GFCCVEGCSA-N 2 0 272.393 -0.896 20 0 CBADRP [NH2+]=C(NC1CCS(=O)(=O)CC1)SCC[NH3+] ZINC001256376772 826018528 /nfs/dbraw/zinc/01/85/28/826018528.db2.gz BMTGGEFJLOHNTQ-UHFFFAOYSA-N 2 0 251.377 -0.220 20 0 CBADRP COC(=O)[C@H](C[NH3+])CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256615758 826028100 /nfs/dbraw/zinc/02/81/00/826028100.db2.gz UHHRFPXBMUPYBV-WAAKLRNESA-N 2 0 255.362 -0.051 20 0 CBADRP CS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC001257234073 826043531 /nfs/dbraw/zinc/04/35/31/826043531.db2.gz WQZDXNRSXGIBMN-WDEREUQCSA-N 2 0 261.391 -0.120 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[NH3+])C[C@H]1C(=O)OC ZINC001257715155 826052017 /nfs/dbraw/zinc/05/20/17/826052017.db2.gz BXNWRKUAEQNTDP-UKKRHICBSA-N 2 0 288.344 -0.974 20 0 CBADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]C1CC([NH3+])C1 ZINC001257921612 826053566 /nfs/dbraw/zinc/05/35/66/826053566.db2.gz XNZKGOOLHXEJIA-KPPDAEKUSA-N 2 0 292.401 -0.178 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001261379134 826509034 /nfs/dbraw/zinc/50/90/34/826509034.db2.gz TYRCUNKKSUECEG-GRYCIOLGSA-N 2 0 284.404 -0.219 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001261384284 826509103 /nfs/dbraw/zinc/50/91/03/826509103.db2.gz LXZUKQUNWGWGBV-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001261378541 826509363 /nfs/dbraw/zinc/50/93/63/826509363.db2.gz DBFDRDSMRAEUTJ-GMTAPVOTSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)CC[NH2+]1 ZINC001261459273 826517245 /nfs/dbraw/zinc/51/72/45/826517245.db2.gz GNEXORYUWUUSRD-JTQLQIEISA-N 2 0 266.349 -0.549 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)NCC2=CC[NH2+]CC2)nn1 ZINC001261463467 826517757 /nfs/dbraw/zinc/51/77/57/826517757.db2.gz SPAFIZDEWHMDQT-UHFFFAOYSA-N 2 0 278.360 -0.334 20 0 CBADRP CSCC[C@H]([NH3+])C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001261474710 826520181 /nfs/dbraw/zinc/52/01/81/826520181.db2.gz IQGGLBDLWDGWHH-ZJUUUORDSA-N 2 0 261.391 -0.357 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001261530426 826534338 /nfs/dbraw/zinc/53/43/38/826534338.db2.gz DCPNAJMLPDABLV-YPMHNXCESA-N 2 0 268.405 -0.134 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC001261554925 826540470 /nfs/dbraw/zinc/54/04/70/826540470.db2.gz RBYYTUBMWQDJFL-UTUOFQBUSA-N 2 0 282.388 -0.750 20 0 CBADRP C[C@H]1C[C@H](N(C)C(=O)C(=O)N(C)CCC[NH3+])CC[N@@H+]1C ZINC001261644567 826554068 /nfs/dbraw/zinc/55/40/68/826554068.db2.gz FCLVYYNREQIFBG-NWDGAFQWSA-N 2 0 284.404 -0.265 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC[C@H](O)C(F)F)CC1 ZINC001261891929 826605152 /nfs/dbraw/zinc/60/51/52/826605152.db2.gz UJPTYSMRAGJZQC-MNOVXSKESA-N 2 0 281.347 -0.800 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC001262005518 826617571 /nfs/dbraw/zinc/61/75/71/826617571.db2.gz DUOHDXMEWGYRBU-SECBINFHSA-N 2 0 251.334 -0.392 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001262008119 826618265 /nfs/dbraw/zinc/61/82/65/826618265.db2.gz BCMMPPIGSQTOMO-ZJUUUORDSA-N 2 0 251.334 -0.122 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2C3CCC2(C[NH3+])CC3)=NO1 ZINC001262009831 826619221 /nfs/dbraw/zinc/61/92/21/826619221.db2.gz KHRMLHIWBCHKQP-XEVUQIKYSA-N 2 0 252.318 -0.428 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2C3CCC2(C[NH3+])CC3)=NO1 ZINC001262009830 826619610 /nfs/dbraw/zinc/61/96/10/826619610.db2.gz KHRMLHIWBCHKQP-NBBOBHDQSA-N 2 0 252.318 -0.428 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCOC)CC1 ZINC001262035183 826626744 /nfs/dbraw/zinc/62/67/44/826626744.db2.gz BAIHXQJDICFXRT-ZDUSSCGKSA-N 2 0 287.404 -0.033 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1[C@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001262038988 826627582 /nfs/dbraw/zinc/62/75/82/826627582.db2.gz DYKWUDFUACJAPE-FIQHERPVSA-N 2 0 268.405 -0.232 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC[N@@H+]1C ZINC001262062092 826629409 /nfs/dbraw/zinc/62/94/09/826629409.db2.gz RIMFKFVBIUBFQL-GRYCIOLGSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC001262067147 826629886 /nfs/dbraw/zinc/62/98/86/826629886.db2.gz UDIMYTVRVJJSDJ-DDHJBXDOSA-N 2 0 294.399 -0.419 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC001262067146 826630121 /nfs/dbraw/zinc/63/01/21/826630121.db2.gz UDIMYTVRVJJSDJ-BJDJZHNGSA-N 2 0 294.399 -0.419 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001262073498 826632461 /nfs/dbraw/zinc/63/24/61/826632461.db2.gz TWKZMTKAHDCAFQ-OUAUKWLOSA-N 2 0 268.361 -0.950 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC001262161744 826645831 /nfs/dbraw/zinc/64/58/31/826645831.db2.gz SUBNKHLHIRNETM-NEPJUHHUSA-N 2 0 282.388 -0.654 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001262160698 826646206 /nfs/dbraw/zinc/64/62/06/826646206.db2.gz MPVBWQHZTFWCBU-RDBSUJKOSA-N 2 0 252.406 -0.179 20 0 CBADRP COCC[NH2+]C1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC001262194738 826657192 /nfs/dbraw/zinc/65/71/92/826657192.db2.gz BIEIELNTPWGCIZ-DRZSPHRISA-N 2 0 257.378 -0.463 20 0 CBADRP C[C@H](CC(N)=O)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001262202670 826660740 /nfs/dbraw/zinc/66/07/40/826660740.db2.gz ZOQNMVUXNKLBSI-NXEZZACHSA-N 2 0 269.345 -0.475 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC[C@H]1C[NH3+] ZINC001262541706 826702010 /nfs/dbraw/zinc/70/20/10/826702010.db2.gz DTXOMNXAYBNDSQ-NEPJUHHUSA-N 2 0 296.415 -0.360 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001262546459 826705068 /nfs/dbraw/zinc/70/50/68/826705068.db2.gz ZGWSENFXTKEBMT-XQQFMLRXSA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001262553696 826708129 /nfs/dbraw/zinc/70/81/29/826708129.db2.gz IIDOPDOEJMMHLV-GAFUQQFSSA-N 2 0 255.362 -0.315 20 0 CBADRP [NH3+]CCNC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001262557079 826709006 /nfs/dbraw/zinc/70/90/06/826709006.db2.gz NPOWHRPHEORKKJ-UHFFFAOYSA-N 2 0 256.350 -0.501 20 0 CBADRP C[NH+]1CCN(CC[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC001262558580 826709159 /nfs/dbraw/zinc/70/91/59/826709159.db2.gz JXKLBJRXBSWBBR-HUUCEWRRSA-N 2 0 285.432 -0.265 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)C[NH+](C)C ZINC001262582296 826712878 /nfs/dbraw/zinc/71/28/78/826712878.db2.gz RBYUQHDISHMDMB-QWRGUYRKSA-N 2 0 258.366 -0.434 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H](C)C[NH3+] ZINC001262584450 826713757 /nfs/dbraw/zinc/71/37/57/826713757.db2.gz BUCBXEGNICNOJH-WDEREUQCSA-N 2 0 258.366 -0.399 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)N1CCNCC[NH2+]CC1 ZINC001262584747 826714027 /nfs/dbraw/zinc/71/40/27/826714027.db2.gz KXKCFSPCVWOPRF-LBPRGKRZSA-N 2 0 271.409 -0.292 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]([NH3+])C(C)C ZINC001262584414 826714038 /nfs/dbraw/zinc/71/40/38/826714038.db2.gz BGCANPUISTZOHA-GHMZBOCLSA-N 2 0 258.366 -0.401 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)NC[C@@H](C)C[NH3+] ZINC001262584449 826714139 /nfs/dbraw/zinc/71/41/39/826714139.db2.gz BUCBXEGNICNOJH-QWRGUYRKSA-N 2 0 258.366 -0.399 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])CO)c1cccc(F)c1 ZINC001263092804 826735790 /nfs/dbraw/zinc/73/57/90/826735790.db2.gz FVZYHRLRNSSZAZ-VXGBXAGGSA-N 2 0 269.320 -0.136 20 0 CBADRP C[NH2+]C1(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCC1 ZINC001263099091 826736463 /nfs/dbraw/zinc/73/64/63/826736463.db2.gz XZORCWCCQOQFON-GFCCVEGCSA-N 2 0 296.415 -0.168 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC001263097373 826736694 /nfs/dbraw/zinc/73/66/94/826736694.db2.gz UGRMCMCKONZHBQ-VXGBXAGGSA-N 2 0 254.378 -0.654 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001263096556 826736735 /nfs/dbraw/zinc/73/67/35/826736735.db2.gz VMKFIKIPELDEFE-VHSXEESVSA-N 2 0 257.334 -0.665 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC001263097370 826736775 /nfs/dbraw/zinc/73/67/75/826736775.db2.gz UGRMCMCKONZHBQ-NEPJUHHUSA-N 2 0 254.378 -0.654 20 0 CBADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CNCC[NH3+] ZINC001263096784 826737289 /nfs/dbraw/zinc/73/72/89/826737289.db2.gz BPRCQDMPSMBADM-AWEZNQCLSA-N 2 0 278.400 -0.176 20 0 CBADRP C[NH2+]CCN(C)C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001263104547 826738365 /nfs/dbraw/zinc/73/83/65/826738365.db2.gz LLKZCUJFUSWFPV-LBPRGKRZSA-N 2 0 254.334 -0.437 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001263108169 826739695 /nfs/dbraw/zinc/73/96/95/826739695.db2.gz PTJORDRHKUKMRF-NDBYEHHHSA-N 2 0 296.415 -0.314 20 0 CBADRP O=C(C[NH+]1CCC(CO)CC1)N[C@H]1CCC[NH2+]CC1 ZINC001263106027 826739707 /nfs/dbraw/zinc/73/97/07/826739707.db2.gz ISESKMOUEDLVHM-ZDUSSCGKSA-N 2 0 269.389 -0.051 20 0 CBADRP CC[C@@]1(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CCC[NH2+]1 ZINC001263155777 826744650 /nfs/dbraw/zinc/74/46/50/826744650.db2.gz FPAZNKYUMWIORF-MFKMUULPSA-N 2 0 253.346 -0.234 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001263156160 826745288 /nfs/dbraw/zinc/74/52/88/826745288.db2.gz OBUATKDOHNDHHO-IVZWLZJFSA-N 2 0 253.346 -0.393 20 0 CBADRP O=C(N[C@H]1COC2(C[NH2+]C2)C1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001263156355 826745299 /nfs/dbraw/zinc/74/52/99/826745299.db2.gz UJTBEAFVKCEWKG-CWSCBRNRSA-N 2 0 251.330 -0.767 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001263156025 826745409 /nfs/dbraw/zinc/74/54/09/826745409.db2.gz LCBFTPXZYACCNI-VLEAKVRGSA-N 2 0 251.330 -0.911 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC12CC(C1)C[NH2+]2 ZINC001263160897 826746173 /nfs/dbraw/zinc/74/61/73/826746173.db2.gz QGMAZTYLFBWJBR-WDBLDGLGSA-N 2 0 264.373 -0.757 20 0 CBADRP C[C@]1(NC(=O)C[NH+]2CCC(CO)CC2)CC[NH2+]C1 ZINC001263163367 826747547 /nfs/dbraw/zinc/74/75/47/826747547.db2.gz NOHCZKGERVUYMG-ZDUSSCGKSA-N 2 0 255.362 -0.441 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)C[NH2+]1 ZINC001263167149 826747794 /nfs/dbraw/zinc/74/77/94/826747794.db2.gz BTTAXNNKYCSEAB-VOAKCMCISA-N 2 0 266.389 -0.369 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)c1cc2n(n1)CCC[C@@H]2[NH3+] ZINC001263166591 826747875 /nfs/dbraw/zinc/74/78/75/826747875.db2.gz LRGFKOYINAIVMV-NSHDSACASA-N 2 0 295.387 -0.015 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001263169707 826748249 /nfs/dbraw/zinc/74/82/49/826748249.db2.gz WCOMSAYUJFKSSA-NWDGAFQWSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@]1(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)CCC[NH2+]C1 ZINC001263168469 826748286 /nfs/dbraw/zinc/74/82/86/826748286.db2.gz NRQZOZNYYJIJPY-TZMCWYRMSA-N 2 0 269.389 -0.051 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)C1(C2CC[NH2+]CC2)CC1 ZINC001263170280 826748594 /nfs/dbraw/zinc/74/85/94/826748594.db2.gz MQFRDVLVWFPLRH-GFCCVEGCSA-N 2 0 269.389 -0.195 20 0 CBADRP CC(C)CC[C@H]([NH3+])C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001263174073 826749324 /nfs/dbraw/zinc/74/93/24/826749324.db2.gz QIWUNZWSHPCVLT-GWCFXTLKSA-N 2 0 268.361 -0.255 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@]1(C)C[C@H](O)C[NH2+]1)C2 ZINC001263179268 826750275 /nfs/dbraw/zinc/75/02/75/826750275.db2.gz JGWZERGGFCMSBB-DJIHRAIXSA-N 2 0 253.346 -0.833 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)C[NH+]1CCC(CO)CC1 ZINC001263185395 826751904 /nfs/dbraw/zinc/75/19/04/826751904.db2.gz YQJRQBRJXQWOIA-GFCCVEGCSA-N 2 0 255.362 -0.360 20 0 CBADRP [NH3+]C1(CC(=O)N2NC(=O)CC23CC[NH2+]CC3)CCC1 ZINC001263202572 826752478 /nfs/dbraw/zinc/75/24/78/826752478.db2.gz DOBNMIWVYFFLMJ-UHFFFAOYSA-N 2 0 266.345 -0.356 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]2(C)C[NH2+]CCO2)CC[C@H]1C[NH3+] ZINC001263214784 826754820 /nfs/dbraw/zinc/75/48/20/826754820.db2.gz WDONROKIFTXTBP-MDZLAQPJSA-N 2 0 255.362 -0.192 20 0 CBADRP COC1(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC[NH2+]CC1 ZINC001263215762 826755392 /nfs/dbraw/zinc/75/53/92/826755392.db2.gz INEFSZYPLFTILA-GHMZBOCLSA-N 2 0 255.362 -0.192 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001263239912 826757403 /nfs/dbraw/zinc/75/74/03/826757403.db2.gz YFIBMWAXNKBBIA-SUNKGSAMSA-N 2 0 267.373 -0.273 20 0 CBADRP [NH3+]C1(CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC001263235068 826757618 /nfs/dbraw/zinc/75/76/18/826757618.db2.gz WMHGZKMBHUTHHD-UHFFFAOYSA-N 2 0 264.333 -0.576 20 0 CBADRP CN1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)CC[N@H+](C)CC1 ZINC001263245572 826757651 /nfs/dbraw/zinc/75/76/51/826757651.db2.gz NLPMHTVMKDPZGN-CYBMUJFWSA-N 2 0 282.432 -0.062 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC001263260455 826760061 /nfs/dbraw/zinc/76/00/61/826760061.db2.gz BSSBJQWDCYOOCR-DMDPSCGWSA-N 2 0 253.346 -0.567 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CCC[C@@]12CC[NH2+]C2 ZINC001263259118 826760099 /nfs/dbraw/zinc/76/00/99/826760099.db2.gz NXQZAYSZGLPWMC-AAEUAGOBSA-N 2 0 253.346 -0.281 20 0 CBADRP C[C@@]1(C(=O)NC[C@@H]2CCC[NH2+]CC2)C[NH2+]CCO1 ZINC001263322776 826764081 /nfs/dbraw/zinc/76/40/81/826764081.db2.gz WHPMWBMVKWAQBF-YPMHNXCESA-N 2 0 255.362 -0.129 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCN1C[C@H]2C ZINC001263746363 826773879 /nfs/dbraw/zinc/77/38/79/826773879.db2.gz KFTVVFLBJXOMEE-KGLIPLIRSA-N 2 0 298.431 -0.541 20 0 CBADRP CN(C[C@H]1CC[N@@H+]1CCOCCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001263821503 826780318 /nfs/dbraw/zinc/78/03/18/826780318.db2.gz UAQWOGSROHHREA-UONOGXRCSA-N 2 0 299.415 -0.520 20 0 CBADRP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)C1(C[NH+](C)C)CC1 ZINC001263810393 826780713 /nfs/dbraw/zinc/78/07/13/826780713.db2.gz WWCFWIJBKKNKAS-GFCCVEGCSA-N 2 0 269.389 -0.147 20 0 CBADRP CC[NH+]1CCN(C2CN(C(=O)C[NH+](C)C)C2)CC1 ZINC001263950791 826792994 /nfs/dbraw/zinc/79/29/94/826792994.db2.gz FUJCMEIAZQRXKX-UHFFFAOYSA-N 2 0 254.378 -0.604 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001264970295 826823616 /nfs/dbraw/zinc/82/36/16/826823616.db2.gz ATGZXQOZUBGFMF-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001265068218 826843261 /nfs/dbraw/zinc/84/32/61/826843261.db2.gz BBWBXIMIHWIVKP-STQMWFEESA-N 2 0 287.404 -0.617 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)[C@@H]1CCN(C)C1=O ZINC001265072871 826845680 /nfs/dbraw/zinc/84/56/80/826845680.db2.gz IGFFCLAURMQUTR-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC001265849395 826929025 /nfs/dbraw/zinc/92/90/25/826929025.db2.gz WOFMXJFWYLUFKW-UWVGGRQHSA-N 2 0 258.366 -0.704 20 0 CBADRP C[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CC(N)=O ZINC001265936734 826939967 /nfs/dbraw/zinc/93/99/67/826939967.db2.gz FZUZQPXTQYKUJV-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001265941740 826940388 /nfs/dbraw/zinc/94/03/88/826940388.db2.gz IKXQXHYJPPFPOQ-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH2+]CCCO)C1 ZINC001265945358 826940535 /nfs/dbraw/zinc/94/05/35/826940535.db2.gz KFAGIQKQMJTVGX-KGLIPLIRSA-N 2 0 299.415 -0.472 20 0 CBADRP CC[C@H](C(=O)NCCC[N@H+](C)[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001265954969 826942053 /nfs/dbraw/zinc/94/20/53/826942053.db2.gz YYJAYYJVBGWEMP-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266275332 826970957 /nfs/dbraw/zinc/97/09/57/826970957.db2.gz VSNFEIVQPNKLAC-QJPTWQEYSA-N 2 0 257.378 -0.245 20 0 CBADRP C[C@@H](O)C[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266275170 826968935 /nfs/dbraw/zinc/96/89/35/826968935.db2.gz PIFMHBHKZLBOEH-YPMHNXCESA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266339655 826985596 /nfs/dbraw/zinc/98/55/96/826985596.db2.gz VDRNWOAAGZRYBJ-NWDGAFQWSA-N 2 0 269.389 -0.101 20 0 CBADRP COCCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001266565776 827023442 /nfs/dbraw/zinc/02/34/42/827023442.db2.gz NQCVJXPBIQRNDI-KBPBESRZSA-N 2 0 299.415 -0.208 20 0 CBADRP CN(CCNCc1nncn1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001266660691 827043117 /nfs/dbraw/zinc/04/31/17/827043117.db2.gz PXOIQSAQDJTTLU-NSHDSACASA-N 2 0 280.376 -0.543 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CC[NH+](C)C ZINC001266827201 827072252 /nfs/dbraw/zinc/07/22/52/827072252.db2.gz NZPYCNGNKCWNGT-SNVBAGLBSA-N 2 0 258.366 -0.879 20 0 CBADRP C[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)[NH2+]CCCO ZINC001266993317 827103939 /nfs/dbraw/zinc/10/39/39/827103939.db2.gz JVZANOOOVMVGQN-CHWSQXEVSA-N 2 0 287.404 -0.569 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](C[NH2+]CCO)C2)C1 ZINC001267065393 827112107 /nfs/dbraw/zinc/11/21/07/827112107.db2.gz TXYPYZLEXSTGTB-OLZOCXBDSA-N 2 0 269.389 -0.241 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267072426 827112439 /nfs/dbraw/zinc/11/24/39/827112439.db2.gz ZRRCUSCRSWCSSD-GFCCVEGCSA-N 2 0 284.404 -0.536 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCO ZINC001267159502 827118886 /nfs/dbraw/zinc/11/88/86/827118886.db2.gz ZBYGTMGXAQCISK-NWDGAFQWSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H](O)C[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001267225941 827134195 /nfs/dbraw/zinc/13/41/95/827134195.db2.gz IOHNYXQMYTXBMB-NEPJUHHUSA-N 2 0 257.378 -0.243 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CCO ZINC001267282362 827141401 /nfs/dbraw/zinc/14/14/01/827141401.db2.gz CQDBKHBJUAYYGS-GFCCVEGCSA-N 2 0 257.378 -0.101 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CCO ZINC001267282364 827142339 /nfs/dbraw/zinc/14/23/39/827142339.db2.gz CQDBKHBJUAYYGS-LBPRGKRZSA-N 2 0 257.378 -0.101 20 0 CBADRP CCn1nncc1C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001267354727 827155820 /nfs/dbraw/zinc/15/58/20/827155820.db2.gz WUHRMGDGTFXSHV-CYBMUJFWSA-N 2 0 294.403 -0.060 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001267355793 827155856 /nfs/dbraw/zinc/15/58/56/827155856.db2.gz ZZWOQGZBWARTJS-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP CCn1nncc1C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001267354728 827156150 /nfs/dbraw/zinc/15/61/50/827156150.db2.gz WUHRMGDGTFXSHV-ZDUSSCGKSA-N 2 0 294.403 -0.060 20 0 CBADRP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001267354878 827156281 /nfs/dbraw/zinc/15/62/81/827156281.db2.gz AUPBPBQMJPMRQM-WDEREUQCSA-N 2 0 268.361 -0.983 20 0 CBADRP CC[C@@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001267424496 827169598 /nfs/dbraw/zinc/16/95/98/827169598.db2.gz RKLKBBHPQOUQQF-SNVBAGLBSA-N 2 0 258.366 -0.750 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001267451557 827172761 /nfs/dbraw/zinc/17/27/61/827172761.db2.gz IHKGMSHRMXRIIU-SNVBAGLBSA-N 2 0 258.366 -0.750 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267455967 827173513 /nfs/dbraw/zinc/17/35/13/827173513.db2.gz INLBOBUBFRSITL-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CCO)C1 ZINC001267779058 827217901 /nfs/dbraw/zinc/21/79/01/827217901.db2.gz MRVBTQOGBPDJIT-GFCCVEGCSA-N 2 0 257.378 -0.148 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001268011752 827241287 /nfs/dbraw/zinc/24/12/87/827241287.db2.gz XXLPJLDNVJEESV-VXGBXAGGSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@H](C[NH2+]CCn1cncn1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268099575 827258132 /nfs/dbraw/zinc/25/81/32/827258132.db2.gz GKWYXHLDIUELEM-OLZOCXBDSA-N 2 0 294.403 -0.334 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCCF ZINC001268297769 827282447 /nfs/dbraw/zinc/28/24/47/827282447.db2.gz LCLAFMZLYSMGNJ-GHMZBOCLSA-N 2 0 261.341 -0.493 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCCF ZINC001268297775 827282882 /nfs/dbraw/zinc/28/28/82/827282882.db2.gz LCLAFMZLYSMGNJ-QWRGUYRKSA-N 2 0 261.341 -0.493 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCCF ZINC001268297778 827283242 /nfs/dbraw/zinc/28/32/42/827283242.db2.gz LCLAFMZLYSMGNJ-WDEREUQCSA-N 2 0 261.341 -0.493 20 0 CBADRP CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268308309 827291133 /nfs/dbraw/zinc/29/11/33/827291133.db2.gz NYPRAJCDNRLSTL-OLZOCXBDSA-N 2 0 269.389 -0.195 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]CCC(F)(F)F ZINC001268320192 827298252 /nfs/dbraw/zinc/29/82/52/827298252.db2.gz BDBYIOYRLLGWNM-VIFPVBQESA-N 2 0 285.310 -0.043 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H](O)C[NH2+]CCF)[NH+](C)C ZINC001268320742 827298854 /nfs/dbraw/zinc/29/88/54/827298854.db2.gz BOHVCUIYKHLMEX-GHMZBOCLSA-N 2 0 263.357 -0.391 20 0 CBADRP C[C@H](CC[NH2+]Cc1nncn1C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268347184 827312956 /nfs/dbraw/zinc/31/29/56/827312956.db2.gz BDOXCIQYAQWIDS-VXGBXAGGSA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@H](CC[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268366566 827316089 /nfs/dbraw/zinc/31/60/89/827316089.db2.gz OUPBEACBAISLDV-JHJVBQTASA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](CC[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268366567 827316100 /nfs/dbraw/zinc/31/61/00/827316100.db2.gz OUPBEACBAISLDV-YNEHKIRRSA-N 2 0 298.431 -0.101 20 0 CBADRP CCN(C)C(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268423213 827325115 /nfs/dbraw/zinc/32/51/15/827325115.db2.gz KNPAZWRVRZSETP-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001268521731 827352699 /nfs/dbraw/zinc/35/26/99/827352699.db2.gz IQNYDVRPPHJDJC-DSYXLKISSA-N 2 0 296.415 -0.133 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268556504 827362709 /nfs/dbraw/zinc/36/27/09/827362709.db2.gz PNLXANMCTABWTA-AGFGORMFSA-N 2 0 296.415 -0.133 20 0 CBADRP C[C@@H]([NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001268562470 827365589 /nfs/dbraw/zinc/36/55/89/827365589.db2.gz HMTPUKMYPZSXJM-QAVQXKDTSA-N 2 0 294.399 -0.249 20 0 CBADRP COC[C@@H](O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268557391 827365686 /nfs/dbraw/zinc/36/56/86/827365686.db2.gz VCVCZTRGPGDRPB-MRYXHSKJSA-N 2 0 299.415 -0.260 20 0 CBADRP CCN(C)C(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001268573168 827367441 /nfs/dbraw/zinc/36/74/41/827367441.db2.gz FGPQQOYEXWBFQB-URWSZGRFSA-N 2 0 296.415 -0.179 20 0 CBADRP C[C@@H]([NH2+]C/C=C/CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001268581737 827370513 /nfs/dbraw/zinc/37/05/13/827370513.db2.gz JZUUBVFVYUHRBN-SGUJLRQBSA-N 2 0 282.388 -0.536 20 0 CBADRP NC(=O)C[NH2+]C/C=C\CNC(=O)CC[NH+]1CCCCC1 ZINC001268630544 827383649 /nfs/dbraw/zinc/38/36/49/827383649.db2.gz MJLNHZFFSZUKHL-IHWYPQMZSA-N 2 0 282.388 -0.390 20 0 CBADRP C[C@H](C[NH2+]CCO)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268644796 827390554 /nfs/dbraw/zinc/39/05/54/827390554.db2.gz BARYHJOBVFBLJD-ZYHUDNBSSA-N 2 0 255.362 -0.585 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001268670780 827398608 /nfs/dbraw/zinc/39/86/08/827398608.db2.gz JFNYTNOQIWXYLC-NXEZZACHSA-N 2 0 258.366 -0.704 20 0 CBADRP CN(CCC[NH2+]CC(N)=O)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001268800583 827423361 /nfs/dbraw/zinc/42/33/61/827423361.db2.gz PGEYDMWODLVRBH-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP CCCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268945969 827443093 /nfs/dbraw/zinc/44/30/93/827443093.db2.gz JMDBSKCJJJZBAX-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CN(CCC[NH2+]Cc1cnnn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268945664 827443119 /nfs/dbraw/zinc/44/31/19/827443119.db2.gz GRNAZDZXNXAXFH-LBPRGKRZSA-N 2 0 294.403 -0.295 20 0 CBADRP C[NH2+][C@@]12CC[C@@](NC(=O)CN(C)C(N)=[NH2+])(C1)CCC2 ZINC001268995790 827446523 /nfs/dbraw/zinc/44/65/23/827446523.db2.gz AXYOBONQOSSLIA-QWHCGFSZSA-N 2 0 267.377 -0.007 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+]2CCCO)C1 ZINC001269332295 827494002 /nfs/dbraw/zinc/49/40/02/827494002.db2.gz PSDNFKVCLYPBOT-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCO)CC1 ZINC001269438035 827508635 /nfs/dbraw/zinc/50/86/35/827508635.db2.gz YIWUYFDAZHDETC-LLVKDONJSA-N 2 0 255.362 -0.299 20 0 CBADRP C[C@H](O)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001269489300 827514445 /nfs/dbraw/zinc/51/44/45/827514445.db2.gz MFHZGDZFDQGEFF-RYUDHWBXSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@H](C[NH2+]C[C@H](C)O)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001271172129 827671884 /nfs/dbraw/zinc/67/18/84/827671884.db2.gz WYEQQZFXEPFXFX-NEPJUHHUSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001271192397 827675619 /nfs/dbraw/zinc/67/56/19/827675619.db2.gz LUZZNEFIKSFKLO-OCCSQVGLSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001271222638 827678410 /nfs/dbraw/zinc/67/84/10/827678410.db2.gz CDOBLDRDTLRSIN-MCIONIFRSA-N 2 0 280.416 -0.215 20 0 CBADRP C[NH+]1CC2(C1)CCN(C(=O)C1(O)CC[NH+](C)CC1)CC2 ZINC001271802387 827726906 /nfs/dbraw/zinc/72/69/06/827726906.db2.gz VZFIWWYPNUGNFF-UHFFFAOYSA-N 2 0 281.400 -0.003 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001271904972 827734676 /nfs/dbraw/zinc/73/46/76/827734676.db2.gz IRGFWFJYQZRAIK-OKILXGFUSA-N 2 0 280.416 -0.071 20 0 CBADRP CCOCC[N@H+](C)CCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001271984872 827746593 /nfs/dbraw/zinc/74/65/93/827746593.db2.gz WWXLVRXOOGQVSU-ZDUSSCGKSA-N 2 0 287.404 -0.256 20 0 CBADRP CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001271996210 827748212 /nfs/dbraw/zinc/74/82/12/827748212.db2.gz JOBQJUVZWZOJBS-GXTWGEPZSA-N 2 0 269.389 -0.099 20 0 CBADRP CC(C)(C(=O)N(CCO)CC[NH2+]CCO)c1cnc[nH]1 ZINC001272295352 827778252 /nfs/dbraw/zinc/77/82/52/827778252.db2.gz PNJGIBLHUCYGQK-UHFFFAOYSA-N 2 0 284.360 -0.910 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCOC1CCC1 ZINC001272381907 827789391 /nfs/dbraw/zinc/78/93/91/827789391.db2.gz XZVOEIJTOQZWEJ-TZMCWYRMSA-N 2 0 299.415 -0.284 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CCF)CC[N@@H+]1C ZINC001272413590 827794238 /nfs/dbraw/zinc/79/42/38/827794238.db2.gz FBSKDTAOMWYBFP-OUAUKWLOSA-N 2 0 261.341 -0.637 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]C/C=C\Cl ZINC001272496196 827807066 /nfs/dbraw/zinc/80/70/66/827807066.db2.gz MRTDHLSRIKQGEE-VRJVPJCWSA-N 2 0 275.780 -0.100 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001272535200 827816374 /nfs/dbraw/zinc/81/63/74/827816374.db2.gz VWTZJAVEKHILFR-OAHLLOKOSA-N 2 0 296.415 -0.439 20 0 CBADRP CCC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001272558749 827820628 /nfs/dbraw/zinc/82/06/28/827820628.db2.gz BFNCCDFCDPNMDX-NWDGAFQWSA-N 2 0 257.378 -0.195 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCC2(C[NH+](C)C2)CC1 ZINC001272555156 827820962 /nfs/dbraw/zinc/82/09/62/827820962.db2.gz LFJFWOQPNINKEI-ZDUSSCGKSA-N 2 0 280.416 -0.214 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCC2CC2)C1 ZINC001272576280 827824841 /nfs/dbraw/zinc/82/48/41/827824841.db2.gz XPDYBQHHTVHASV-OLZOCXBDSA-N 2 0 269.389 -0.195 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CCC2CC2)C1 ZINC001272576281 827825369 /nfs/dbraw/zinc/82/53/69/827825369.db2.gz XPDYBQHHTVHASV-QWHCGFSZSA-N 2 0 269.389 -0.195 20 0 CBADRP C[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CC[C@H](O)C1)CC2 ZINC001273070126 827860474 /nfs/dbraw/zinc/86/04/74/827860474.db2.gz SEOBSRUOKOEECE-LBPRGKRZSA-N 2 0 267.373 -0.393 20 0 CBADRP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC3(C2)CC[NH+](C)C3)C1 ZINC001273086155 827863692 /nfs/dbraw/zinc/86/36/92/827863692.db2.gz YGSPGGBXCJBZMF-LBPRGKRZSA-N 2 0 295.383 -0.355 20 0 CBADRP C[C@@H](CC[NH2+]Cc1cnn(C)n1)NC(=O)C[NH+]1CCCC1 ZINC001273183303 827871532 /nfs/dbraw/zinc/87/15/32/827871532.db2.gz JLARLIOSCTXRDZ-LBPRGKRZSA-N 2 0 294.403 -0.105 20 0 CBADRP CCN(CC[NH2+]CCOC)C(=O)[C@H]1CN(C)CCO1 ZINC001273311047 827888628 /nfs/dbraw/zinc/88/86/28/827888628.db2.gz AQZDFWUYJJFBCX-GFCCVEGCSA-N 2 0 273.377 -0.599 20 0 CBADRP CC[C@@H](C(=O)N(CC)CC[NH2+]CC(=O)NC)[NH+](C)C ZINC001273610977 827913421 /nfs/dbraw/zinc/91/34/21/827913421.db2.gz SIXROXFJOFINTA-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP CC[C@H](C(=O)N(CC)CC[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001273710236 827920916 /nfs/dbraw/zinc/92/09/16/827920916.db2.gz NTLULLRDTYSBHR-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274047654 827956216 /nfs/dbraw/zinc/95/62/16/827956216.db2.gz SBIOOAFNASIYJC-OCCSQVGLSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274046482 827956433 /nfs/dbraw/zinc/95/64/33/827956433.db2.gz FDUJSHMINAAQGR-ZFWWWQNUSA-N 2 0 299.415 -0.520 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274047913 827957139 /nfs/dbraw/zinc/95/71/39/827957139.db2.gz VNFSWHPOMZBZRE-TZMCWYRMSA-N 2 0 285.388 -0.768 20 0 CBADRP C[NH+](C)CCN1CC[C@]2(CCC[N@H+](CC(N)=O)CC2)C1=O ZINC001274061947 827962783 /nfs/dbraw/zinc/96/27/83/827962783.db2.gz JHMWTRUJWVKGIO-OAHLLOKOSA-N 2 0 296.415 -0.262 20 0 CBADRP CC(C)[C@H](C(=O)NC/C=C\C[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001274339528 827984037 /nfs/dbraw/zinc/98/40/37/827984037.db2.gz OCIFMZYHGLYZFL-NTQVKLLNSA-N 2 0 296.415 -0.277 20 0 CBADRP CNC(=O)C[NH2+]C/C=C\CNC(=O)C[NH+]1CCC(C)CC1 ZINC001274465330 827992441 /nfs/dbraw/zinc/99/24/41/827992441.db2.gz VNZNFMABULPVDF-ARJAWSKDSA-N 2 0 296.415 -0.274 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CCCO)CC1 ZINC001274502557 827995093 /nfs/dbraw/zinc/99/50/93/827995093.db2.gz UAZUVBYAOQKBLU-ZDUSSCGKSA-N 2 0 299.415 -0.594 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001274518449 827996143 /nfs/dbraw/zinc/99/61/43/827996143.db2.gz GVIPRERZVCGRSQ-YMVSPQSISA-N 2 0 298.431 -0.031 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCC(O)(C[NH2+]CCO)CC2)CC1 ZINC001274550376 827998076 /nfs/dbraw/zinc/99/80/76/827998076.db2.gz SXACQSRMAMTSBF-UHFFFAOYSA-N 2 0 299.415 -0.736 20 0 CBADRP C[C@H](C[NH2+]CCO)NC(=O)CCC[NH+]1CCCC1 ZINC001275038522 828050490 /nfs/dbraw/zinc/05/04/90/828050490.db2.gz JIFCBICORVFZJQ-GFCCVEGCSA-N 2 0 257.378 -0.051 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001274787167 828029903 /nfs/dbraw/zinc/02/99/03/828029903.db2.gz DFUUVUPKVOOSCD-SECBINFHSA-N 2 0 256.350 -0.950 20 0 CBADRP COCCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001274939862 828044348 /nfs/dbraw/zinc/04/43/48/828044348.db2.gz RRLBCFPWHKONED-KGLIPLIRSA-N 2 0 271.405 -0.031 20 0 CBADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](C[C@H]3CCC(=O)N3)C[C@@H]21 ZINC001275188981 828063792 /nfs/dbraw/zinc/06/37/92/828063792.db2.gz RMEXECYRPCYHDS-RDBSUJKOSA-N 2 0 296.415 -0.788 20 0 CBADRP CCOCC[NH2+]C[C@H](C)NC(=O)[C@H]1CN(CC)CCO1 ZINC001275451050 828088118 /nfs/dbraw/zinc/08/81/18/828088118.db2.gz HDDSJZPRVLHPFG-QWHCGFSZSA-N 2 0 287.404 -0.162 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CCCO ZINC001275793856 828115522 /nfs/dbraw/zinc/11/55/22/828115522.db2.gz WFPIITALIVBKSO-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCCO ZINC001275793851 828115823 /nfs/dbraw/zinc/11/58/23/828115823.db2.gz WFPIITALIVBKSO-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CCN1CCO[C@H]2CN(Cc3cccnn3)C[C@H]21 ZINC001275878916 828119612 /nfs/dbraw/zinc/11/96/12/828119612.db2.gz WGSXKOIBLHHHRF-CABCVRRESA-N 2 0 291.399 -0.077 20 0 CBADRP CC(C)[C@H](C(=O)N(C)CCC[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001276213671 828138054 /nfs/dbraw/zinc/13/80/54/828138054.db2.gz BVSNRQWUUMFFGM-NWDGAFQWSA-N 2 0 286.420 -0.116 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CCO)C1)[NH+](C)C ZINC001276454223 828147033 /nfs/dbraw/zinc/14/70/33/828147033.db2.gz UEYUVQSLCAYSMD-PWSUYJOCSA-N 2 0 257.378 -0.245 20 0 CBADRP O=C(N[C@H](C[NH2+]CCO)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001276588505 828151932 /nfs/dbraw/zinc/15/19/32/828151932.db2.gz IKTUGZAHUGKBEI-UONOGXRCSA-N 2 0 281.400 -0.195 20 0 CBADRP C[NH+](C)CCN1C[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H](C1)O2 ZINC001276713335 828156792 /nfs/dbraw/zinc/15/67/92/828156792.db2.gz CJYOBQOMPMKAOR-IYBDPMFKSA-N 3 0 296.459 -0.067 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCOCCO)C1 ZINC001276946909 828167681 /nfs/dbraw/zinc/16/76/81/828167681.db2.gz OSUIUNQBUJMRBU-IHRRRGAJSA-N 2 0 299.415 -0.426 20 0 CBADRP O=C(N[C@H]1C[C@H](C[NH2+]CCO)C1)[C@H]1CCn2cncc2C1 ZINC001277002120 828170684 /nfs/dbraw/zinc/17/06/84/828170684.db2.gz VQGXIZDUSYILIL-AVGNSLFASA-N 2 0 292.383 -0.078 20 0 CBADRP CN(C)C(=O)CC[N@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001277636228 828199981 /nfs/dbraw/zinc/19/99/81/828199981.db2.gz GVUUSMLERQDZCQ-OKILXGFUSA-N 2 0 298.431 -0.589 20 0 CBADRP CN(C)C(=O)CC[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001277636549 828200227 /nfs/dbraw/zinc/20/02/27/828200227.db2.gz KWDFKRNXZXFDDQ-UHFFFAOYSA-N 2 0 268.405 -0.356 20 0 CBADRP NC(=O)C1=NO[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]12 ZINC001277822851 828211849 /nfs/dbraw/zinc/21/18/49/828211849.db2.gz ZMFJUIAQHSLRNC-VHSXEESVSA-N 2 0 252.318 -0.842 20 0 CBADRP NC(=O)[C@@H]1CCC2(C[NH+](CC3CC[NH2+]CC3)C2)O1 ZINC001277821876 828211952 /nfs/dbraw/zinc/21/19/52/828211952.db2.gz MXSDKDFAZVJAPA-NSHDSACASA-N 2 0 253.346 -0.295 20 0 CBADRP CCOCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277859569 828214481 /nfs/dbraw/zinc/21/44/81/828214481.db2.gz ZOGYPFLKCPHZPN-KGLIPLIRSA-N 2 0 271.405 -0.031 20 0 CBADRP CC(=O)NCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001277905748 828217657 /nfs/dbraw/zinc/21/76/57/828217657.db2.gz JSTAPHOAXFQZRI-STQMWFEESA-N 2 0 294.399 -0.735 20 0 CBADRP CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(CC(N)=O)C2 ZINC001277981056 828226539 /nfs/dbraw/zinc/22/65/39/828226539.db2.gz GAOOTUIMKUHIFK-AWEZNQCLSA-N 2 0 268.405 -0.179 20 0 CBADRP CN(C)CC[N@H+]1CC[C@H]2C[NH+](CC(N)=O)C[C@H]2CC1 ZINC001277982105 828226851 /nfs/dbraw/zinc/22/68/51/828226851.db2.gz TVRAYAMMJWAGKZ-BETUJISGSA-N 2 0 268.405 -0.323 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CCCO)C1 ZINC001277997673 828228608 /nfs/dbraw/zinc/22/86/08/828228608.db2.gz QAZYITQWXNUHMV-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCOCCO)C1 ZINC001277997815 828228667 /nfs/dbraw/zinc/22/86/67/828228667.db2.gz UEZWZCGDMJVBRL-UONOGXRCSA-N 2 0 299.415 -0.472 20 0 CBADRP CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001278077311 828242146 /nfs/dbraw/zinc/24/21/46/828242146.db2.gz IFWIYAYRYQOYGZ-RYUDHWBXSA-N 2 0 257.378 -0.054 20 0 CBADRP CC(C)[NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001278093810 828245711 /nfs/dbraw/zinc/24/57/11/828245711.db2.gz RGCFLMPKJSEDIB-NSHDSACASA-N 2 0 257.378 -0.054 20 0 CBADRP CC[NH2+][C@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001278100631 828247802 /nfs/dbraw/zinc/24/78/02/828247802.db2.gz ZOHFOJFVWGOLDP-LBPRGKRZSA-N 2 0 269.389 -0.051 20 0 CBADRP CC(C)[NH2+][C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001278139967 828251836 /nfs/dbraw/zinc/25/18/36/828251836.db2.gz XAPIBYQURIQDKA-LLVKDONJSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@@H](O)CCC[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001278178620 828255419 /nfs/dbraw/zinc/25/54/19/828255419.db2.gz JWFZQXCXUYNYKE-CHWSQXEVSA-N 2 0 299.415 -0.690 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCO)C1 ZINC001278468984 828271768 /nfs/dbraw/zinc/27/17/68/828271768.db2.gz GGEPKHHMUOGHRG-OCCSQVGLSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001278804308 828292257 /nfs/dbraw/zinc/29/22/57/828292257.db2.gz PZCBNIMAYAXBNZ-NWDGAFQWSA-N 2 0 257.378 -0.243 20 0 CBADRP CC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001278828934 828293601 /nfs/dbraw/zinc/29/36/01/828293601.db2.gz RJMNJCMBBIQSIU-ZDUSSCGKSA-N 2 0 257.378 -0.101 20 0 CBADRP CCC[NH2+]C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001278827975 828293842 /nfs/dbraw/zinc/29/38/42/828293842.db2.gz RONMDGZCOBMAOL-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC001347282875 890438912 /nfs/dbraw/zinc/43/89/12/890438912.db2.gz OQLLFHSQYYBGTN-TUAOUCFPSA-N 2 0 293.433 -0.390 20 0 CBADRP C[C@@H](C(=O)N1CC[C@@](O)(C[NH+](C)C)C1)n1ccnc1 ZINC001347930550 890535075 /nfs/dbraw/zinc/53/50/75/890535075.db2.gz GXCRTSVAXSIDKE-WCQYABFASA-N 2 0 266.345 -0.031 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC001349657185 890859804 /nfs/dbraw/zinc/85/98/04/890859804.db2.gz ZRRZMOPEBSAOOC-RYUDHWBXSA-N 2 0 256.394 -0.277 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001152426478 884676690 /nfs/dbraw/zinc/67/66/90/884676690.db2.gz JKVUEXPCGZQBDO-LLVKDONJSA-N 2 0 270.377 -0.689 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188146139 884722400 /nfs/dbraw/zinc/72/24/00/884722400.db2.gz VVZBHPXDQFNRSC-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CCC(OCCC[NH3+])CC1 ZINC001326049671 884886809 /nfs/dbraw/zinc/88/68/09/884886809.db2.gz UBRXECAOCJCBQS-LBPRGKRZSA-N 2 0 273.377 -0.293 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)NCC2([NH3+])CCC2)nn1 ZINC001326060040 884893454 /nfs/dbraw/zinc/89/34/54/884893454.db2.gz JBBMLAYFBHLSFI-UHFFFAOYSA-N 2 0 266.349 -0.372 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCC2(C)OCCO2)CC1 ZINC001326157513 884928146 /nfs/dbraw/zinc/92/81/46/884928146.db2.gz ZIBWYGXDKMYASG-ZDUSSCGKSA-N 2 0 287.404 -0.663 20 0 CBADRP CN(C(=O)c1cn(CCC[NH3+])nn1)[C@H]1CC[NH2+]C1 ZINC001326246364 884956374 /nfs/dbraw/zinc/95/63/74/884956374.db2.gz WDMLRYIUAJTRQV-VIFPVBQESA-N 2 0 252.322 -0.939 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCC(C)(C)CO)CC1 ZINC001326201957 884942854 /nfs/dbraw/zinc/94/28/54/884942854.db2.gz MWQDQXVCGGRLFE-CYBMUJFWSA-N 2 0 273.421 -0.407 20 0 CBADRP C[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC[C@@H]1[NH3+] ZINC001326501396 885049574 /nfs/dbraw/zinc/04/95/74/885049574.db2.gz DYNOBXYBQZMPKM-AGIUHOORSA-N 3 0 268.405 -0.147 20 0 CBADRP C[NH2+]CC(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001326600016 885079621 /nfs/dbraw/zinc/07/96/21/885079621.db2.gz ZFKICGUUFPHHFG-JTQLQIEISA-N 2 0 252.322 -0.880 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001326818200 885161441 /nfs/dbraw/zinc/16/14/41/885161441.db2.gz ZFWLEGVGXKWKJD-JTQLQIEISA-N 2 0 279.331 -0.068 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(C[NH3+])o2)CCO1 ZINC001326833840 885168184 /nfs/dbraw/zinc/16/81/84/885168184.db2.gz JDIQLDWUTZOXFB-LDYMZIIASA-N 2 0 253.302 -0.074 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC001326820207 885166128 /nfs/dbraw/zinc/16/61/28/885166128.db2.gz IVUOBSWFNHYTCK-SNVBAGLBSA-N 2 0 266.349 -0.549 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001326886930 885183249 /nfs/dbraw/zinc/18/32/49/885183249.db2.gz VWUIYZMIJGELIL-VWYCJHECSA-N 2 0 262.375 -0.605 20 0 CBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001327612276 885428272 /nfs/dbraw/zinc/42/82/72/885428272.db2.gz BAIFJFNHGYCFIP-NWDGAFQWSA-N 2 0 267.373 -0.048 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC001328454350 885694050 /nfs/dbraw/zinc/69/40/50/885694050.db2.gz HCHSJHFVCGPMQS-STQMWFEESA-N 2 0 285.388 -0.423 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@H](C[NH3+])C2)C1 ZINC001329429090 886063269 /nfs/dbraw/zinc/06/32/69/886063269.db2.gz YOFFLTMRUBWRMM-VXGBXAGGSA-N 2 0 254.378 -0.536 20 0 CBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001330869905 886607562 /nfs/dbraw/zinc/60/75/62/886607562.db2.gz JIUODWSNLOUCBL-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001331708671 886925379 /nfs/dbraw/zinc/92/53/79/886925379.db2.gz WLHHIFYNNIXHPW-HUTHGQBESA-N 2 0 261.391 -0.802 20 0 CBADRP NC(=O)C[N@H+](CC[C@H]1CC[NH2+]C1)C1CCOCC1 ZINC001331932298 887050461 /nfs/dbraw/zinc/05/04/61/887050461.db2.gz HBHARNBSKMGYPX-LLVKDONJSA-N 2 0 255.362 -0.048 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001332296814 887190370 /nfs/dbraw/zinc/19/03/70/887190370.db2.gz VACRJGSWQBUPSU-GARJFASQSA-N 2 0 251.334 -0.590 20 0 CBADRP [NH3+]C[C@H]1CN(C[C@H]2CC3(C[NH2+]C3)CO2)CCCO1 ZINC001332334612 887208272 /nfs/dbraw/zinc/20/82/72/887208272.db2.gz NTSVUHKQHBPWLX-NEPJUHHUSA-N 2 0 255.362 -0.586 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](CN2CCC[NH2+]CC2)C1 ZINC001332339091 887212373 /nfs/dbraw/zinc/21/23/73/887212373.db2.gz JQKLWAZVMNFRKT-GFCCVEGCSA-N 2 0 254.378 -0.521 20 0 CBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)CC[NH3+])CC2)C1=O ZINC001332995872 887498140 /nfs/dbraw/zinc/49/81/40/887498140.db2.gz ZWNMWVQSFUINFC-LLVKDONJSA-N 2 0 268.361 -0.854 20 0 CBADRP CN(C)C(=O)c1cccc(CNC(C[NH3+])C[NH3+])c1 ZINC001333530610 887675518 /nfs/dbraw/zinc/67/55/18/887675518.db2.gz ZFRQOVSYIYFGKQ-UHFFFAOYSA-N 2 0 250.346 -0.236 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001333584208 887703950 /nfs/dbraw/zinc/70/39/50/887703950.db2.gz LPKGZJLAJAFCHA-RYUDHWBXSA-N 2 0 270.377 -0.290 20 0 CBADRP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H]1CNC(=O)C1)CCO2 ZINC001333608412 887713252 /nfs/dbraw/zinc/71/32/52/887713252.db2.gz ZKRKZQAPTDEDRM-LBPRGKRZSA-N 2 0 267.373 -0.081 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001333625478 887722621 /nfs/dbraw/zinc/72/26/21/887722621.db2.gz LFAUSWBJDWGFGK-QWRGUYRKSA-N 2 0 272.393 -0.314 20 0 CBADRP NC(=O)C1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001334339693 887927630 /nfs/dbraw/zinc/92/76/30/887927630.db2.gz YOCTWFOQGZEABO-NSHDSACASA-N 2 0 253.346 -0.438 20 0 CBADRP CS(=O)(=O)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC001334391409 887948592 /nfs/dbraw/zinc/94/85/92/887948592.db2.gz UGEUJQYHTJQMQV-AEJSXWLSSA-N 2 0 250.364 -0.891 20 0 CBADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](O)CS(C)(=O)=O ZINC001334389478 887949000 /nfs/dbraw/zinc/94/90/00/887949000.db2.gz HTXPZPURIIRJDK-NXEZZACHSA-N 2 0 252.380 -0.501 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]1CCN1C ZINC001334870678 888350239 /nfs/dbraw/zinc/35/02/39/888350239.db2.gz KFVFQGZWEITZNE-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCN1C[C@@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1=O ZINC001335421287 888530245 /nfs/dbraw/zinc/53/02/45/888530245.db2.gz JUHVVVHGNVEYPQ-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001335596032 888575952 /nfs/dbraw/zinc/57/59/52/888575952.db2.gz ORGQXFSGWNEUIY-ONYIWYLUSA-N 2 0 250.346 -0.355 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001335845614 888644210 /nfs/dbraw/zinc/64/42/10/888644210.db2.gz OVJDBSNOULJROG-MNOVXSKESA-N 2 0 255.362 -0.273 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2C[C@@](C)(O)C2)CC1 ZINC001336017394 888674492 /nfs/dbraw/zinc/67/44/92/888674492.db2.gz IIMAAJDQPLEILY-RWMBFGLXSA-N 2 0 257.378 -0.902 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001336660589 888836212 /nfs/dbraw/zinc/83/62/12/888836212.db2.gz ROLSDPGEUQPJBC-QKIYJJFGSA-N 2 0 255.362 -0.328 20 0 CBADRP O=C(NCC[C@H]1CC[NH2+]C1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001336687174 888845047 /nfs/dbraw/zinc/84/50/47/888845047.db2.gz LMSMVTCLTXIQPY-NEPJUHHUSA-N 2 0 267.373 -0.129 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001336686080 888846302 /nfs/dbraw/zinc/84/63/02/888846302.db2.gz ARBFTPYBMBBRRP-JTQLQIEISA-N 2 0 268.361 -0.143 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001336741910 888863682 /nfs/dbraw/zinc/86/36/82/888863682.db2.gz JQXRHKANJZKHSU-QJPTWQEYSA-N 2 0 254.378 -0.382 20 0 CBADRP CC[NH2+]CCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001336905766 888917422 /nfs/dbraw/zinc/91/74/22/888917422.db2.gz IXVZWJIBGFEFFH-STQMWFEESA-N 2 0 284.404 -0.164 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)N1CCNCC[NH2+]CC1 ZINC001336990225 888942714 /nfs/dbraw/zinc/94/27/14/888942714.db2.gz QBDFXBSGMBUISV-LLVKDONJSA-N 2 0 269.393 -0.811 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001336989878 888943298 /nfs/dbraw/zinc/94/32/98/888943298.db2.gz JLCCVSZZUKFEGD-WISYIIOYSA-N 2 0 268.361 -0.491 20 0 CBADRP [NH3+]CCN(CC(F)(F)F)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001336995200 888947504 /nfs/dbraw/zinc/94/75/04/888947504.db2.gz KQKAFZUEVVHWBI-ZCFIWIBFSA-N 2 0 268.239 -0.560 20 0 CBADRP O=C(N1CCCC[C@@]2(CC[NH2+]C2)C1)C1(O)C[NH2+]C1 ZINC001337113318 888962273 /nfs/dbraw/zinc/96/22/73/888962273.db2.gz QABASTVUUZXVMH-LBPRGKRZSA-N 2 0 253.346 -0.687 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC001338353632 889146448 /nfs/dbraw/zinc/14/64/48/889146448.db2.gz QKGWNABKZIDTDE-WDEREUQCSA-N 2 0 282.388 -0.608 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)C2(C3CC[NH2+]CC3)CC2)CCO1 ZINC001340266297 889416820 /nfs/dbraw/zinc/41/68/20/889416820.db2.gz NJOSRKYODACLFT-LBPRGKRZSA-N 2 0 267.373 -0.048 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001340205518 889409264 /nfs/dbraw/zinc/40/92/64/889409264.db2.gz MFHCGAZODNOTSJ-XQQFMLRXSA-N 2 0 269.389 -0.101 20 0 CBADRP [NH3+]CCNCC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC001340469562 889437362 /nfs/dbraw/zinc/43/73/62/889437362.db2.gz NOTVSQQNAVRKQZ-VXGBXAGGSA-N 2 0 254.378 -0.475 20 0 CBADRP CC(C)(CC[NH3+])NC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340498358 889443633 /nfs/dbraw/zinc/44/36/33/889443633.db2.gz NEPHFLYCWCOGML-SECBINFHSA-N 2 0 268.361 -0.950 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[NH2+]CCC1(F)F ZINC001340617976 889456693 /nfs/dbraw/zinc/45/66/93/889456693.db2.gz ZTNFUPYBCDVDPH-IUCAKERBSA-N 2 0 275.299 -0.522 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001340866832 889500924 /nfs/dbraw/zinc/50/09/24/889500924.db2.gz MICCKGZKBKBYQY-AVGNSLFASA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH2+][C@@H](C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)c1cnn(C)c1 ZINC001340979259 889527081 /nfs/dbraw/zinc/52/70/81/889527081.db2.gz XCPMTOYQMJGFPE-GHMZBOCLSA-N 2 0 265.361 -0.124 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001340977449 889527604 /nfs/dbraw/zinc/52/76/04/889527604.db2.gz IDEKQSPSERGBFM-RKDXNWHRSA-N 2 0 257.334 -0.537 20 0 CBADRP C[NH2+][C@@H](C(=O)N1C[C@H]([NH3+])C(C)(C)C1)c1cnn(C)c1 ZINC001340979266 889525321 /nfs/dbraw/zinc/52/53/21/889525321.db2.gz XCPMTOYQMJGFPE-WDEREUQCSA-N 2 0 265.361 -0.124 20 0 CBADRP CN(C)c1cc[nH+]c(CNC(=O)[C@@H]2C[NH2+]CCO2)c1 ZINC001341047468 889537246 /nfs/dbraw/zinc/53/72/46/889537246.db2.gz BUMLPBSCOBZIJR-LBPRGKRZSA-N 2 0 264.329 -0.248 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)C[C@H]1COCC[NH2+]1 ZINC001341029367 889537344 /nfs/dbraw/zinc/53/73/44/889537344.db2.gz PYDLGBJIQSVZCT-YFKTTZPYSA-N 2 0 255.362 -0.038 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC001341238311 889562308 /nfs/dbraw/zinc/56/23/08/889562308.db2.gz JMORXDYYVYQTIW-WCQYABFASA-N 2 0 255.362 -0.169 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)C1 ZINC001341241225 889565243 /nfs/dbraw/zinc/56/52/43/889565243.db2.gz YZNVKKMLFIAMMU-FZMZJTMJSA-N 2 0 267.373 -0.312 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC[C@H]1C[NH3+] ZINC001341250627 889565376 /nfs/dbraw/zinc/56/53/76/889565376.db2.gz NEUKFOWAOACIAG-WRWGMCAJSA-N 2 0 255.362 -0.207 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC001341370092 889584455 /nfs/dbraw/zinc/58/44/55/889584455.db2.gz VSDYGPHHRXQWOI-NHCYSSNCSA-N 2 0 251.330 -0.767 20 0 CBADRP CC1CC[NH+](CCNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001341556255 889623435 /nfs/dbraw/zinc/62/34/35/889623435.db2.gz XSTAVSFZEKRHSM-TZMCWYRMSA-N 2 0 269.389 -0.053 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C1(C[NH3+])CC(O)C1 ZINC001341619231 889634960 /nfs/dbraw/zinc/63/49/60/889634960.db2.gz KGDYPMDOCUOLCI-UHFFFAOYSA-N 2 0 257.378 -0.066 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001341672228 889644699 /nfs/dbraw/zinc/64/46/99/889644699.db2.gz BQFDFTJPWKLWAE-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP C[N@@H+]1CCC[C@@H](CNC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001341677632 889646815 /nfs/dbraw/zinc/64/68/15/889646815.db2.gz QVFMNCJKANXPNG-GXTWGEPZSA-N 2 0 269.389 -0.051 20 0 CBADRP [NH3+]CC1(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC(O)C1 ZINC001341687087 889648187 /nfs/dbraw/zinc/64/81/87/889648187.db2.gz POXAEKKWFSGJLY-MSLYCWSTSA-N 2 0 253.346 -0.703 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001341708152 889652315 /nfs/dbraw/zinc/65/23/15/889652315.db2.gz MGMLFLFWZYFEJN-VHSXEESVSA-N 2 0 255.362 -0.051 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001341781265 889664152 /nfs/dbraw/zinc/66/41/52/889664152.db2.gz QCUPBYZJASWCNY-NOZJJQNGSA-N 2 0 263.345 -0.280 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H](O)COC ZINC001443675628 912253651 /nfs/dbraw/zinc/25/36/51/912253651.db2.gz LNSPBHMXUKGYEO-MELADBBJSA-N 2 0 299.415 -0.379 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001341940429 889686588 /nfs/dbraw/zinc/68/65/88/889686588.db2.gz IPKJESGEDZVFGU-WOPDTQHZSA-N 2 0 256.394 -0.265 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCN([C@H]3CCNC3=O)C2)CC1 ZINC001443766010 912273882 /nfs/dbraw/zinc/27/38/82/912273882.db2.gz NQAMYNYGPAZMKJ-NEPJUHHUSA-N 2 0 294.399 -0.593 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)C1([C@H](C)[NH3+])CCOCC1 ZINC001342220181 889733359 /nfs/dbraw/zinc/73/33/59/889733359.db2.gz OKMSJJQLPCYJJY-LBPRGKRZSA-N 2 0 287.404 -0.175 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]([NH3+])CCSC ZINC001342266312 889740314 /nfs/dbraw/zinc/74/03/14/889740314.db2.gz GJIRDNKFKGWWHY-UWVGGRQHSA-N 2 0 263.407 -0.504 20 0 CBADRP CCN(C(=O)c1cn(CC[NH3+])nn1)[C@@H]1CCC[NH2+]C1 ZINC001342276553 889743587 /nfs/dbraw/zinc/74/35/87/889743587.db2.gz KSYPRIZOYHJWDR-SNVBAGLBSA-N 2 0 266.349 -0.549 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)C[C@]2(O)CCC[NH2+]C2)C[NH2+]1 ZINC001342319513 889753434 /nfs/dbraw/zinc/75/34/34/889753434.db2.gz AVOPDQDHGHYIDV-NTZNESFSSA-N 2 0 255.362 -0.252 20 0 CBADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C1(C[NH3+])CC(O)C1 ZINC001342347804 889755953 /nfs/dbraw/zinc/75/59/53/889755953.db2.gz KBONWDNGRMQSIX-BEVNXUHPSA-N 2 0 267.373 -0.219 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC001342348992 889759131 /nfs/dbraw/zinc/75/91/31/889759131.db2.gz NLHVXTVUCIUZHK-DTWKUNHWSA-N 2 0 265.304 -0.730 20 0 CBADRP O=C(NCC[C@@H]1CCC[NH2+]CC1)[C@@H]1C[NH2+]CCO1 ZINC001342886295 889842681 /nfs/dbraw/zinc/84/26/81/889842681.db2.gz GNLWSVAHQULIHF-NEPJUHHUSA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001342938793 889848303 /nfs/dbraw/zinc/84/83/03/889848303.db2.gz YSECVXYGUZNEMT-WGBDABJCSA-N 2 0 255.362 -0.396 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC001343199445 889876901 /nfs/dbraw/zinc/87/69/01/889876901.db2.gz CJMKSWPYVRPAHY-MMWGEVLESA-N 2 0 253.346 -0.264 20 0 CBADRP [NH3+][C@H](CO)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001343507356 889926113 /nfs/dbraw/zinc/92/61/13/889926113.db2.gz ITQQUVCDOYDSLH-GRYCIOLGSA-N 2 0 255.362 -0.456 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001444321548 912422079 /nfs/dbraw/zinc/42/20/79/912422079.db2.gz FBGYWFGXCDEJLM-LLVKDONJSA-N 2 0 284.404 -0.441 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001343713560 889953826 /nfs/dbraw/zinc/95/38/26/889953826.db2.gz GWKPLBPTGUKWNX-NWDGAFQWSA-N 2 0 254.378 -0.604 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]CC(N)=O ZINC001444390570 912439600 /nfs/dbraw/zinc/43/96/00/912439600.db2.gz OBIKYOZTUKFYHY-JTQLQIEISA-N 2 0 270.377 -0.845 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CC(=O)N(C)C ZINC001444394460 912441915 /nfs/dbraw/zinc/44/19/15/912441915.db2.gz WLKVLNOYIQRZEE-LBPRGKRZSA-N 2 0 296.415 -0.488 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)[C@H]1C[NH2+]CCN1C ZINC001343931578 889982374 /nfs/dbraw/zinc/98/23/74/889982374.db2.gz AXILXXMUWILHHH-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC001344519120 890036475 /nfs/dbraw/zinc/03/64/75/890036475.db2.gz SJXBIQBBCWOMMO-CYDGBPFRSA-N 2 0 269.389 -0.102 20 0 CBADRP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001444626735 912481420 /nfs/dbraw/zinc/48/14/20/912481420.db2.gz XXYMMBOLEXYZEU-VXGBXAGGSA-N 2 0 286.420 -0.149 20 0 CBADRP O[C@@H](C[NH2+]CCC[NH+]1CCCC1)C1(O)CCOCC1 ZINC001345088675 890100076 /nfs/dbraw/zinc/10/00/76/890100076.db2.gz AMAQUKYFJAJRSK-ZDUSSCGKSA-N 2 0 272.389 -0.036 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001345165836 890104923 /nfs/dbraw/zinc/10/49/23/890104923.db2.gz DBFDRDSMRAEUTJ-GARJFASQSA-N 2 0 270.377 -0.561 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001444824780 912509741 /nfs/dbraw/zinc/50/97/41/912509741.db2.gz VQWHYYTTYAVJTB-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001444862398 912513101 /nfs/dbraw/zinc/51/31/01/912513101.db2.gz LSLQAEIOFFWJIH-QWRGUYRKSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001345359168 890122533 /nfs/dbraw/zinc/12/25/33/890122533.db2.gz OPAZVXPTQZARKM-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(C(=O)CC[NH+](C)C)C1CC(NC(=O)CC[NH+](C)C)C1 ZINC001445057672 912548658 /nfs/dbraw/zinc/54/86/58/912548658.db2.gz VGEGGSCFMKZWHJ-UHFFFAOYSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC001346049379 890205231 /nfs/dbraw/zinc/20/52/31/890205231.db2.gz YSNLMTWEVAHCMB-IJLUTSLNSA-N 2 0 282.388 -0.750 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC001346104659 890214168 /nfs/dbraw/zinc/21/41/68/890214168.db2.gz CPPKLWDJYQYFEL-JSGCOSHPSA-N 2 0 266.389 -0.650 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC(N)=O)C1 ZINC001445148420 912580559 /nfs/dbraw/zinc/58/05/59/912580559.db2.gz XFPWVHSOEHHOCH-NWDGAFQWSA-N 2 0 282.388 -0.654 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC001346479903 890302159 /nfs/dbraw/zinc/30/21/59/890302159.db2.gz YGOFTVOZTKKTBS-QWRGUYRKSA-N 2 0 256.350 -0.632 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)C(N)=O)[NH+](C)C ZINC001445396489 912657090 /nfs/dbraw/zinc/65/70/90/912657090.db2.gz BIJWWOTYFVBIMW-MXWKQRLJSA-N 2 0 272.393 -0.459 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001347156980 890418323 /nfs/dbraw/zinc/41/83/23/890418323.db2.gz FYPJNMUYKUEDGP-UHTWSYAYSA-N 2 0 267.373 -0.049 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001347156978 890418383 /nfs/dbraw/zinc/41/83/83/890418383.db2.gz FYPJNMUYKUEDGP-RTXFEEFZSA-N 2 0 267.373 -0.049 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)nn1 ZINC001347157481 890418917 /nfs/dbraw/zinc/41/89/17/890418917.db2.gz MPHBEUCJIQRJOM-BDAKNGLRSA-N 2 0 252.322 -0.764 20 0 CBADRP C[C@H](C[NH2+]Cc1cnn(C)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445506442 912679737 /nfs/dbraw/zinc/67/97/37/912679737.db2.gz WZCAHCPFRFRJDH-YPMHNXCESA-N 2 0 279.388 -0.034 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001445609583 912711345 /nfs/dbraw/zinc/71/13/45/912711345.db2.gz ZTGNQERHLHOSPP-QWRGUYRKSA-N 2 0 270.377 -0.832 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001445603343 912711444 /nfs/dbraw/zinc/71/14/44/912711444.db2.gz DPQKWTTWYDBUSY-DCAQKATOSA-N 2 0 270.377 -0.691 20 0 CBADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)C(N)=O)[NH+](C)C ZINC001445603981 912711846 /nfs/dbraw/zinc/71/18/46/912711846.db2.gz BIJWWOTYFVBIMW-HBNTYKKESA-N 2 0 272.393 -0.459 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445648623 912723475 /nfs/dbraw/zinc/72/34/75/912723475.db2.gz OITVJQAQKJBQPK-WDEREUQCSA-N 2 0 280.376 -0.639 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001445866622 912774242 /nfs/dbraw/zinc/77/42/42/912774242.db2.gz HKEHLUBSNAUOJN-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H](C[N@H+](C)CCn1cncn1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001445869151 912774611 /nfs/dbraw/zinc/77/46/11/912774611.db2.gz MNUHWHFRNRWHMM-QWHCGFSZSA-N 2 0 294.403 -0.334 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001445866624 912777537 /nfs/dbraw/zinc/77/75/37/912777537.db2.gz HKEHLUBSNAUOJN-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001445967255 912793337 /nfs/dbraw/zinc/79/33/37/912793337.db2.gz KYFIFYWPEWWDRP-NSHDSACASA-N 2 0 270.377 -0.832 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001446076868 912812831 /nfs/dbraw/zinc/81/28/31/912812831.db2.gz RDNIKBOAEWVWTM-STQMWFEESA-N 2 0 299.415 -0.474 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001446280315 912856133 /nfs/dbraw/zinc/85/61/33/912856133.db2.gz WONHLYFBUIMWEE-QWRGUYRKSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176564084 884704156 /nfs/dbraw/zinc/70/41/56/884704156.db2.gz LCWOURBHWRVETD-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001188145690 884721908 /nfs/dbraw/zinc/72/19/08/884721908.db2.gz JOEJLDHPPQDDLL-GFCCVEGCSA-N 2 0 294.403 -0.154 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001446280313 912855471 /nfs/dbraw/zinc/85/54/71/912855471.db2.gz WONHLYFBUIMWEE-MNOVXSKESA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206464668 884758330 /nfs/dbraw/zinc/75/83/30/884758330.db2.gz RYXMOTMOGMDULP-ISTVAULSSA-N 2 0 293.367 -0.643 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1CC1(F)CC[NH2+]CC1 ZINC001211354234 884770802 /nfs/dbraw/zinc/77/08/02/884770802.db2.gz LRELBOMRMXPMTE-NSHDSACASA-N 2 0 273.352 -0.085 20 0 CBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418129 884775955 /nfs/dbraw/zinc/77/59/55/884775955.db2.gz BNKKHCVXRHEHJO-ZIAGYGMSSA-N 2 0 299.415 -0.332 20 0 CBADRP CO[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378120 884778797 /nfs/dbraw/zinc/77/87/97/884778797.db2.gz DONLFYLZTIHAJA-BFHYXJOUSA-N 2 0 299.415 -0.210 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219795511 884792103 /nfs/dbraw/zinc/79/21/03/884792103.db2.gz BBEFKVZMEUJRJP-NSHDSACASA-N 3 0 268.405 -0.086 20 0 CBADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219796022 884792135 /nfs/dbraw/zinc/79/21/35/884792135.db2.gz JHOCWATXAQDXHO-ZIAGYGMSSA-N 3 0 296.415 -0.958 20 0 CBADRP OC1(Cc2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)C[NH2+]C1 ZINC001247793065 884796968 /nfs/dbraw/zinc/79/69/68/884796968.db2.gz VPFIIBABEPFLJK-UHFFFAOYSA-N 2 0 287.323 -0.346 20 0 CBADRP O=C([C@H]1C[NH+]2CCC1CC2)N(CCO)CC[NH2+]CCCO ZINC001326020746 884874055 /nfs/dbraw/zinc/87/40/55/884874055.db2.gz BXOMDZAMHITFGZ-AWEZNQCLSA-N 2 0 299.415 -0.879 20 0 CBADRP C[C@H](O)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001326023024 884876881 /nfs/dbraw/zinc/87/68/81/884876881.db2.gz OWHBXWMFSQIKJQ-GXTWGEPZSA-N 2 0 299.415 -0.881 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)NC[C@H]2CCC[NH2+]C2)nn1 ZINC001326075760 884902201 /nfs/dbraw/zinc/90/22/01/884902201.db2.gz AKJLXOZPFDSRAE-NSHDSACASA-N 2 0 280.376 -0.254 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)CC[C@H]2CC[NH2+]C2)CCCO1 ZINC001326140816 884919928 /nfs/dbraw/zinc/91/99/28/884919928.db2.gz PEFQUWHIQNGDIW-RYUDHWBXSA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cccc(F)n2)CC1 ZINC001326155354 884924392 /nfs/dbraw/zinc/92/43/92/884924392.db2.gz FGJKUTLHUIFEFW-ZDUSSCGKSA-N 2 0 282.363 -0.081 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCC2CC(O)C2)CC1 ZINC001326201884 884940883 /nfs/dbraw/zinc/94/08/83/884940883.db2.gz LGPCALPPVPFCPF-RUXDESIVSA-N 2 0 271.405 -0.655 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC001326236278 884953586 /nfs/dbraw/zinc/95/35/86/884953586.db2.gz GJGBGRCBUVFDQW-SRVKXCTJSA-N 3 0 256.394 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001446420908 912881678 /nfs/dbraw/zinc/88/16/78/912881678.db2.gz PVVZWGVEIPNCES-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001326346974 884998394 /nfs/dbraw/zinc/99/83/94/884998394.db2.gz WQWNFNGKXYJILF-AWEZNQCLSA-N 2 0 267.373 -0.033 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC)[NH+](C)C ZINC001446442660 912887013 /nfs/dbraw/zinc/88/70/13/912887013.db2.gz DZOZHPCRDTYKFO-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH2+]CCN(C)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC001326376057 885011153 /nfs/dbraw/zinc/01/11/53/885011153.db2.gz RSZLSCIWNFKLBB-VIFPVBQESA-N 2 0 251.334 -0.222 20 0 CBADRP CCC(=O)N1CCC[N@H+](CCN2CC[NH2+]CC2)CC1 ZINC001326584273 885073816 /nfs/dbraw/zinc/07/38/16/885073816.db2.gz UJSUVBWTFAOWAB-UHFFFAOYSA-N 2 0 268.405 -0.164 20 0 CBADRP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C1=CC[N@H+](C)CC1 ZINC001326596797 885081827 /nfs/dbraw/zinc/08/18/27/885081827.db2.gz NWCRZZFUWUEBDI-HOCLYGCPSA-N 3 0 296.459 -0.165 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC001326606680 885086169 /nfs/dbraw/zinc/08/61/69/885086169.db2.gz NPBNREDBLFMFIW-RYUDHWBXSA-N 2 0 256.394 -0.086 20 0 CBADRP C[NH+]1CCC(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001326734667 885125069 /nfs/dbraw/zinc/12/50/69/885125069.db2.gz USPWXLJEOQZIQX-NSHDSACASA-N 2 0 268.361 -0.935 20 0 CBADRP O=C(C1CC[NH2+]CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001326816611 885162628 /nfs/dbraw/zinc/16/26/28/885162628.db2.gz LDAYAZQSATVBFA-CYBMUJFWSA-N 2 0 266.389 -0.508 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccnc(C[NH3+])c2)CCO1 ZINC001326833736 885168263 /nfs/dbraw/zinc/16/82/63/885168263.db2.gz GPYBIUSIUYSKQL-BXKDBHETSA-N 2 0 264.329 -0.272 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccnc(C[NH3+])c2)CCO1 ZINC001326833737 885168404 /nfs/dbraw/zinc/16/84/04/885168404.db2.gz GPYBIUSIUYSKQL-CABZTGNLSA-N 2 0 264.329 -0.272 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOCCCO ZINC001326950208 885199562 /nfs/dbraw/zinc/19/95/62/885199562.db2.gz YEKPBSCNSQQJQK-GFCCVEGCSA-N 2 0 272.393 -0.016 20 0 CBADRP CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CN(C)CCO2)CCO1 ZINC001326967880 885207713 /nfs/dbraw/zinc/20/77/13/885207713.db2.gz SSQQQDCWQFFVEL-QWHCGFSZSA-N 2 0 285.388 -0.456 20 0 CBADRP CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CCO1 ZINC001326967886 885208476 /nfs/dbraw/zinc/20/84/76/885208476.db2.gz SSQQQDCWQFFVEL-STQMWFEESA-N 2 0 285.388 -0.456 20 0 CBADRP C[NH+](C)C1(C(=O)N2CCO[C@H](C[NH2+]CCCO)C2)CCC1 ZINC001326988965 885212866 /nfs/dbraw/zinc/21/28/66/885212866.db2.gz RMCHGQYECBAZLN-CYBMUJFWSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CCCCO)CC1 ZINC001327054965 885235542 /nfs/dbraw/zinc/23/55/42/885235542.db2.gz WYFRXZCGRZYQHC-AWEZNQCLSA-N 2 0 273.421 -0.311 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001446577261 912912609 /nfs/dbraw/zinc/91/26/09/912912609.db2.gz WWGKDYLJCWZMGU-FZMZJTMJSA-N 2 0 282.388 -0.606 20 0 CBADRP [NH3+]Cc1cc(C(=O)N2CCO[C@@H](C[NH3+])C2)ccn1 ZINC001327105829 885255415 /nfs/dbraw/zinc/25/54/15/885255415.db2.gz XBQUCBBXGCDBNS-NSHDSACASA-N 2 0 250.302 -0.660 20 0 CBADRP C[C@@H](CCC[NH3+])NC(=O)c1cn(CCC[NH3+])nn1 ZINC001327105500 885257365 /nfs/dbraw/zinc/25/73/65/885257365.db2.gz SKJKCABAROFQLU-VIFPVBQESA-N 2 0 254.338 -0.516 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC001327448217 885357358 /nfs/dbraw/zinc/35/73/58/885357358.db2.gz DMHRBBNSQPKRER-MNOVXSKESA-N 2 0 256.394 -0.230 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001327471965 885368827 /nfs/dbraw/zinc/36/88/27/885368827.db2.gz PAHRZSDSFFWSOI-SDDRHHMPSA-N 2 0 280.372 -0.793 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCC[C@@H](C)[NH2+]C)C(C)C ZINC001327549689 885401788 /nfs/dbraw/zinc/40/17/88/885401788.db2.gz BUXSWHFKASKVQP-GFCCVEGCSA-N 2 0 286.420 -0.053 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCC[C@@H](C)[NH2+]C ZINC001327550278 885401991 /nfs/dbraw/zinc/40/19/91/885401991.db2.gz GEOOBEYQBSPFAV-GFCCVEGCSA-N 2 0 286.420 -0.099 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)c1cn(C2CC[NH2+]CC2)nn1 ZINC001327569576 885408422 /nfs/dbraw/zinc/40/84/22/885408422.db2.gz ISYHVELKSSNWMT-VIFPVBQESA-N 2 0 264.333 -0.706 20 0 CBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001327579352 885414765 /nfs/dbraw/zinc/41/47/65/885414765.db2.gz SIVUUOTTXINBKF-VXGBXAGGSA-N 2 0 267.373 -0.048 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001327612801 885428573 /nfs/dbraw/zinc/42/85/73/885428573.db2.gz FNJKROJEEYNJME-VHSXEESVSA-N 2 0 266.349 -0.330 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCCC[NH2+]2)n1 ZINC001327614247 885428804 /nfs/dbraw/zinc/42/88/04/885428804.db2.gz OIILXXOZYFZQBP-SECBINFHSA-N 2 0 265.317 -0.601 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001446758156 912937726 /nfs/dbraw/zinc/93/77/26/912937726.db2.gz NEYGQVWMQJKUNB-GXTWGEPZSA-N 2 0 299.415 -0.596 20 0 CBADRP C[C@H](NC(=O)C(=O)N(C)CCC[NH3+])C1=CC[N@H+](C)CC1 ZINC001327834449 885493766 /nfs/dbraw/zinc/49/37/66/885493766.db2.gz KORJQPGIDPCIDR-NSHDSACASA-N 2 0 282.388 -0.440 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC001327918301 885529484 /nfs/dbraw/zinc/52/94/84/885529484.db2.gz OKNIQYFEZKVJOH-ZJUUUORDSA-N 2 0 263.345 -0.080 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CCC3(C2)CC[NH2+]CC3)=NO1 ZINC001327928350 885531454 /nfs/dbraw/zinc/53/14/54/885531454.db2.gz LJNDBELWXWPJFG-SNVBAGLBSA-N 2 0 266.345 -0.308 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C[C@@H]2CCC[NH2+]2)n1 ZINC001327926848 885531490 /nfs/dbraw/zinc/53/14/90/885531490.db2.gz CXXXCLCBCJXRBJ-QMMMGPOBSA-N 2 0 265.317 -0.601 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC001327932058 885533027 /nfs/dbraw/zinc/53/30/27/885533027.db2.gz FTWYKRWUVSRGQJ-CYBMUJFWSA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@]1(O)CC[NH+](C[C@@H](C)O)C1 ZINC001446788195 912951869 /nfs/dbraw/zinc/95/18/69/912951869.db2.gz BCERVYVKUKUPNS-TZMCWYRMSA-N 2 0 287.404 -0.738 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)nn1 ZINC001328333390 885638200 /nfs/dbraw/zinc/63/82/00/885638200.db2.gz WBXBUWOLXSKITK-PWSUYJOCSA-N 2 0 278.360 -0.549 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)nn1 ZINC001328332017 885638967 /nfs/dbraw/zinc/63/89/67/885638967.db2.gz HIVVOTCWMLUPGL-ZJUUUORDSA-N 2 0 266.349 -0.516 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001328334004 885640047 /nfs/dbraw/zinc/64/00/47/885640047.db2.gz YZQMQPHDAPXWEQ-MXWKQRLJSA-N 2 0 268.361 -0.902 20 0 CBADRP CN(C)C(=O)[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001328398342 885668493 /nfs/dbraw/zinc/66/84/93/885668493.db2.gz JICRYUGOCFHOIS-NEPJUHHUSA-N 2 0 254.378 -0.652 20 0 CBADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001328401415 885672740 /nfs/dbraw/zinc/67/27/40/885672740.db2.gz YIVBGPBINVSQDM-QWHCGFSZSA-N 3 0 268.405 -0.275 20 0 CBADRP [NH3+]CC[C@H]1CCCCN1C(=O)c1cn(CC[NH3+])nn1 ZINC001328442932 885687731 /nfs/dbraw/zinc/68/77/31/885687731.db2.gz MCNJAHSMMJOJPF-SNVBAGLBSA-N 2 0 266.349 -0.420 20 0 CBADRP [NH3+]CCCNC(=O)CN(CC[NH3+])Cc1ccccc1 ZINC001328451106 885691083 /nfs/dbraw/zinc/69/10/83/885691083.db2.gz OUPXPZOOOMBWNA-UHFFFAOYSA-N 2 0 264.373 -0.088 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001328454349 885694200 /nfs/dbraw/zinc/69/42/00/885694200.db2.gz HCHSJHFVCGPMQS-QWHCGFSZSA-N 2 0 285.388 -0.423 20 0 CBADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC001328581240 885733420 /nfs/dbraw/zinc/73/34/20/885733420.db2.gz IZJMTFPWXHSEHO-HIFRSBDPSA-N 2 0 281.400 -0.051 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C1)NCCC[NH+]1CCC(O)CC1 ZINC001328590679 885736192 /nfs/dbraw/zinc/73/61/92/885736192.db2.gz BMFAAGKVNBLXMK-LBPRGKRZSA-N 2 0 269.389 -0.051 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)NC1C[NH2+]C1 ZINC001328732788 885796372 /nfs/dbraw/zinc/79/63/72/885796372.db2.gz NNFDDQSVODISFI-QWRGUYRKSA-N 2 0 268.361 -0.937 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001328839321 885825243 /nfs/dbraw/zinc/82/52/43/885825243.db2.gz AZFUGODCCZKCET-AAEUAGOBSA-N 2 0 254.378 -0.523 20 0 CBADRP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+]CCO)C1 ZINC001328939829 885852396 /nfs/dbraw/zinc/85/23/96/885852396.db2.gz BHWYNTSYDPXWQC-UHFFFAOYSA-N 2 0 257.378 -0.195 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2ccncc2)CC1 ZINC001329134338 885945477 /nfs/dbraw/zinc/94/54/77/885945477.db2.gz IYBVHOLFTWOFEH-HNNXBMFYSA-N 2 0 278.400 -0.178 20 0 CBADRP Cc1noc(CCC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)n1 ZINC001329142389 885949904 /nfs/dbraw/zinc/94/99/04/885949904.db2.gz PKVDBTVVOZJXSE-ZDUSSCGKSA-N 2 0 297.403 -0.491 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001329253906 885984243 /nfs/dbraw/zinc/98/42/43/885984243.db2.gz PFMVNNBCHYXCSH-ZDUSSCGKSA-N 2 0 286.420 -0.506 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001329333002 886020483 /nfs/dbraw/zinc/02/04/83/886020483.db2.gz PNKDFUIWKYBZBM-GXFFZTMASA-N 2 0 268.361 -0.948 20 0 CBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(O)(C[NH3+])CC1 ZINC001329389483 886046417 /nfs/dbraw/zinc/04/64/17/886046417.db2.gz SJYGPQFLPNPNOG-WDEREUQCSA-N 2 0 255.362 -0.313 20 0 CBADRP C[NH2+][C@H](C(=O)N1CCC([NH3+])CC1)c1cnn(C)c1 ZINC001329464985 886080637 /nfs/dbraw/zinc/08/06/37/886080637.db2.gz FGWJLEABSOIYFG-NSHDSACASA-N 2 0 251.334 -0.370 20 0 CBADRP C[C@@H]1C[C@H](C)N(CC(=O)N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001329498720 886096088 /nfs/dbraw/zinc/09/60/88/886096088.db2.gz HYQOTOMRIHKKEM-FRRDWIJNSA-N 3 0 268.405 -0.277 20 0 CBADRP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CCN1C ZINC001329504409 886099559 /nfs/dbraw/zinc/09/95/59/886099559.db2.gz IHSKCZDKVUFGEN-JHJVBQTASA-N 2 0 296.415 -0.267 20 0 CBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](CNC(C)=O)C1 ZINC001329675969 886170337 /nfs/dbraw/zinc/17/03/37/886170337.db2.gz UEIXLPVMGZZYKP-OLZOCXBDSA-N 2 0 257.378 -0.195 20 0 CBADRP C[NH+](C)C[C@@H]1CN(Cn2cnnc2)C[C@H]1C[NH+](C)C ZINC001329729464 886188056 /nfs/dbraw/zinc/18/80/56/886188056.db2.gz CBGBRBWMWHZILI-CHWSQXEVSA-N 2 0 266.393 -0.093 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001329760475 886198739 /nfs/dbraw/zinc/19/87/39/886198739.db2.gz QQOPFOBQFYJOKC-FRRDWIJNSA-N 2 0 268.405 -0.040 20 0 CBADRP CNS(=O)(=O)CCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC001329802038 886212849 /nfs/dbraw/zinc/21/28/49/886212849.db2.gz YYUCFYKKIQGZSF-HBNTYKKESA-N 2 0 279.406 -0.732 20 0 CBADRP CNS(=O)(=O)CCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC001329802040 886213216 /nfs/dbraw/zinc/21/32/16/886213216.db2.gz YYUCFYKKIQGZSF-OUAUKWLOSA-N 2 0 279.406 -0.732 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001329924866 886277831 /nfs/dbraw/zinc/27/78/31/886277831.db2.gz WUAISIFFMNNFHP-IUCAKERBSA-N 2 0 251.334 -0.046 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001329924864 886277917 /nfs/dbraw/zinc/27/79/17/886277917.db2.gz WUAISIFFMNNFHP-BDAKNGLRSA-N 2 0 251.334 -0.046 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC001329936549 886285079 /nfs/dbraw/zinc/28/50/79/886285079.db2.gz IGIBTCBFWZXNAH-QWRGUYRKSA-N 2 0 253.346 -0.295 20 0 CBADRP C[NH2+]CCC[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC001330186818 886383397 /nfs/dbraw/zinc/38/33/97/886383397.db2.gz SKQKLONPTBKXNA-UHFFFAOYSA-N 2 0 266.349 -0.377 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC1 ZINC001330624999 886507634 /nfs/dbraw/zinc/50/76/34/886507634.db2.gz BRLABSDXOWTHNH-MVZIDQBPSA-N 2 0 267.373 -0.146 20 0 CBADRP [NH3+]CC1(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CCOCC1 ZINC001330624663 886508691 /nfs/dbraw/zinc/50/86/91/886508691.db2.gz FDOZNEISMXRKEB-ZYHUDNBSSA-N 2 0 253.346 -0.390 20 0 CBADRP [NH3+]C1(CNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CCOCC1 ZINC001330627539 886511846 /nfs/dbraw/zinc/51/18/46/886511846.db2.gz VNQAFRRVTLOQOX-VHSXEESVSA-N 2 0 259.325 -0.442 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC001330648644 886517764 /nfs/dbraw/zinc/51/77/64/886517764.db2.gz QIFYXCMUHVLNNO-OPQQBVKSSA-N 2 0 251.330 -0.685 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001330859504 886599483 /nfs/dbraw/zinc/59/94/83/886599483.db2.gz GNESQYYDPRDDRK-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP CN(CCC[N@H+](C)CC(N)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001447371163 913060782 /nfs/dbraw/zinc/06/07/82/913060782.db2.gz PVORDILQWWHICO-UHFFFAOYSA-N 2 0 282.388 -0.652 20 0 CBADRP CN(CCC[N@H+](C)[C@@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001447362670 913061548 /nfs/dbraw/zinc/06/15/48/913061548.db2.gz XZSVFHUYFRXCPM-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC001331041057 886652958 /nfs/dbraw/zinc/65/29/58/886652958.db2.gz PMJLIBLDWHOATQ-OLZOCXBDSA-N 2 0 296.415 -0.168 20 0 CBADRP Cc1cc(C[NH3+])oc1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC001331041355 886653960 /nfs/dbraw/zinc/65/39/60/886653960.db2.gz KWGAVYMPZLSRBO-SNVBAGLBSA-N 2 0 253.302 -0.154 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001331089834 886671542 /nfs/dbraw/zinc/67/15/42/886671542.db2.gz LZSPICNHKOIRMD-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001331115068 886680337 /nfs/dbraw/zinc/68/03/37/886680337.db2.gz SZFOYIVLNTVQPW-JQWIXIFHSA-N 2 0 282.388 -0.417 20 0 CBADRP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@H]1C[C@@H](O)C1 ZINC001331127500 886686368 /nfs/dbraw/zinc/68/63/68/886686368.db2.gz NFHNQGDPFUOQQA-BJHJDKERSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001331149227 886695306 /nfs/dbraw/zinc/69/53/06/886695306.db2.gz LMIVIPXLXWZHFA-UPJWGTAASA-N 2 0 296.415 -0.312 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331185540 886716772 /nfs/dbraw/zinc/71/67/72/886716772.db2.gz PCGAZVVWLZAKTI-BETUJISGSA-N 2 0 296.415 -0.360 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001331231039 886740677 /nfs/dbraw/zinc/74/06/77/886740677.db2.gz AMIUGZIBRQVPHH-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001331231038 886741990 /nfs/dbraw/zinc/74/19/90/886741990.db2.gz AMIUGZIBRQVPHH-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H](C[NH2+]CCO)C1CC1 ZINC001331271801 886761697 /nfs/dbraw/zinc/76/16/97/886761697.db2.gz YKSMTCNTYQRLQD-QWHCGFSZSA-N 2 0 269.389 -0.101 20 0 CBADRP [NH3+]CCCN(CC(F)(F)F)C(=O)[C@@H]1C[NH2+]CCO1 ZINC001331350158 886779100 /nfs/dbraw/zinc/77/91/00/886779100.db2.gz HFZNAAPRGJYOAO-QMMMGPOBSA-N 2 0 269.267 -0.286 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCCN2CC[NH2+]CC2)C1 ZINC001331395613 886793772 /nfs/dbraw/zinc/79/37/72/886793772.db2.gz IHXNSXYUPGKXIP-VXGBXAGGSA-N 2 0 269.393 -0.539 20 0 CBADRP C[NH2+]CCNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001331395694 886793861 /nfs/dbraw/zinc/79/38/61/886793861.db2.gz IZLRPOYFSMHKGG-UHFFFAOYSA-N 2 0 283.420 -0.373 20 0 CBADRP [NH3+][C@H]1CCC[C@@H](NC(=O)NCCCN2CC[NH2+]CC2)C1 ZINC001331422894 886801102 /nfs/dbraw/zinc/80/11/02/886801102.db2.gz SZCWLDHAPBAPED-QWHCGFSZSA-N 2 0 283.420 -0.149 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001331474639 886818452 /nfs/dbraw/zinc/81/84/52/886818452.db2.gz JPBYECPCNNGWSH-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC001331550407 886839619 /nfs/dbraw/zinc/83/96/19/886839619.db2.gz FNQABDUIFBAQPC-ZDUSSCGKSA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH+](C)C1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC001331596165 886860101 /nfs/dbraw/zinc/86/01/01/886860101.db2.gz VUYKAPYTJROLMC-UHFFFAOYSA-N 2 0 267.373 -0.130 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001331603331 886861309 /nfs/dbraw/zinc/86/13/09/886861309.db2.gz BWRVGFPJCVQPST-CMPLNLGQSA-N 2 0 280.372 -0.711 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001331605058 886861883 /nfs/dbraw/zinc/86/18/83/886861883.db2.gz WSESOQAWAGMOFS-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331665434 886890341 /nfs/dbraw/zinc/89/03/41/886890341.db2.gz AJKADXQFMMNJON-JHJVBQTASA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@H]1CCN(C(=O)c2cnc(C[NH3+])nc2)C[C@@H]1C[NH3+] ZINC001331706638 886919690 /nfs/dbraw/zinc/91/96/90/886919690.db2.gz HSFPPAUQKGWGES-UWVGGRQHSA-N 2 0 263.345 -0.008 20 0 CBADRP CCN(C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC001331705660 886921236 /nfs/dbraw/zinc/92/12/36/886921236.db2.gz HGMXZSBDEHNANK-RWMBFGLXSA-N 2 0 294.399 -0.641 20 0 CBADRP CCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001331835149 887003862 /nfs/dbraw/zinc/00/38/62/887003862.db2.gz LFDNHMQTPONTGX-NEPJUHHUSA-N 2 0 257.378 -0.195 20 0 CBADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC001331848877 887011150 /nfs/dbraw/zinc/01/11/50/887011150.db2.gz DHEYKHHRTDEAEH-SNVBAGLBSA-N 2 0 250.364 -0.611 20 0 CBADRP CN(CCOCC[NH3+])C[C@H]1CCCS(=O)(=O)C1 ZINC001331848244 887011557 /nfs/dbraw/zinc/01/15/57/887011557.db2.gz ZIWMTNZGYZHLFP-LLVKDONJSA-N 2 0 264.391 -0.282 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1C[NH+](C)C ZINC001331856426 887015733 /nfs/dbraw/zinc/01/57/33/887015733.db2.gz ROLLGTXLCKTXFG-JHJVBQTASA-N 2 0 296.415 -0.680 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331857873 887016278 /nfs/dbraw/zinc/01/62/78/887016278.db2.gz NRVDMRPZWHYRCV-GRYCIOLGSA-N 2 0 269.393 -0.731 20 0 CBADRP C[N@H+](C[C@H](O)Cn1cc(COCC[NH3+])nn1)C1CC1 ZINC001331897432 887035223 /nfs/dbraw/zinc/03/52/23/887035223.db2.gz SPODXIIHLBFHAM-LBPRGKRZSA-N 2 0 269.349 -0.792 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001331967771 887069721 /nfs/dbraw/zinc/06/97/21/887069721.db2.gz CCEZVRLFAITONJ-WOPDTQHZSA-N 2 0 255.362 -0.097 20 0 CBADRP [NH3+][C@@H](CC(F)F)CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001331979946 887076361 /nfs/dbraw/zinc/07/63/61/887076361.db2.gz FLMMRVCXHFLJNI-WDEREUQCSA-N 2 0 262.348 -0.052 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CC[NH+](C)C ZINC001332027411 887088327 /nfs/dbraw/zinc/08/83/27/887088327.db2.gz MJTARAPFBLEJIC-VHSXEESVSA-N 2 0 256.350 -0.998 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCO)C[C@H]1C ZINC001332051807 887094058 /nfs/dbraw/zinc/09/40/58/887094058.db2.gz UFVPSZZJPCTMJA-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH2+]CC1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC001332158039 887135572 /nfs/dbraw/zinc/13/55/72/887135572.db2.gz QMZDYOYWARLPBT-LBPRGKRZSA-N 2 0 255.362 -0.177 20 0 CBADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCC2C[NH2+]C2)C1(C)C ZINC001332178628 887142397 /nfs/dbraw/zinc/14/23/97/887142397.db2.gz FIXPOKPDVDNOOD-GXFFZTMASA-N 2 0 255.362 -0.146 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])CC[N@@H+]1C ZINC001332235920 887164815 /nfs/dbraw/zinc/16/48/15/887164815.db2.gz RGZHMXNOXAUCAG-WDEREUQCSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H]([NH3+])CC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001332234155 887164890 /nfs/dbraw/zinc/16/48/90/887164890.db2.gz TYRBCUUJUPZPON-GFCCVEGCSA-N 2 0 256.394 -0.133 20 0 CBADRP CN1CC[NH+](C2CCN(C(=O)[C@H]3CC[NH2+]3)CC2)CC1 ZINC001332229047 887165173 /nfs/dbraw/zinc/16/51/73/887165173.db2.gz SATNTHXVVTVJSZ-CYBMUJFWSA-N 2 0 266.389 -0.413 20 0 CBADRP [NH3+]Cc1cc(C(=O)N2CCCO[C@@H](C[NH3+])C2)co1 ZINC001332282734 887183430 /nfs/dbraw/zinc/18/34/30/887183430.db2.gz VBDQBEFCOBYPGL-NSHDSACASA-N 2 0 253.302 -0.072 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CC12CC[NH2+]CC2 ZINC001332283082 887184607 /nfs/dbraw/zinc/18/46/07/887184607.db2.gz XZYWJKMFQKSVPV-QWRGUYRKSA-N 2 0 253.346 -0.519 20 0 CBADRP COCCCNC(=O)C1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC001332334304 887207411 /nfs/dbraw/zinc/20/74/11/887207411.db2.gz JYSRXFCYIHWPOH-IHRRRGAJSA-N 2 0 299.415 -0.298 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001332332394 887208039 /nfs/dbraw/zinc/20/80/39/887208039.db2.gz OSURIFPKOMOINC-JOCQHMNTSA-N 2 0 296.415 -0.217 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCC3(CNC(=O)O3)CC2)C1 ZINC001332333904 887209505 /nfs/dbraw/zinc/20/95/05/887209505.db2.gz GSTYYRFJZORZHR-GUBZILKMSA-N 2 0 255.318 -0.589 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCC(Cn3cnnc3)CC2)C1 ZINC001332366286 887232139 /nfs/dbraw/zinc/23/21/39/887232139.db2.gz XRILNCLSZUJDIS-AVGNSLFASA-N 2 0 265.361 -0.159 20 0 CBADRP C[NH2+][C@H](C(=O)N1CCC[C@@H](C[NH3+])C1)c1cnn(C)c1 ZINC001332393564 887255965 /nfs/dbraw/zinc/25/59/65/887255965.db2.gz JUDFALTZZBNMTD-JQWIXIFHSA-N 2 0 265.361 -0.122 20 0 CBADRP [NH3+][C@@H](C(=O)NCCN1CC[NH2+]CC1)C1CCCCC1 ZINC001332393487 887257703 /nfs/dbraw/zinc/25/77/03/887257703.db2.gz HUODRHDPDBBORU-CYBMUJFWSA-N 2 0 268.405 -0.085 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C[C@H]1[NH3+] ZINC001332416153 887271455 /nfs/dbraw/zinc/27/14/55/887271455.db2.gz GRKAUPYIFYCNLM-GRYCIOLGSA-N 2 0 282.388 -0.798 20 0 CBADRP C[NH2+]CCCN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332425158 887274408 /nfs/dbraw/zinc/27/44/08/887274408.db2.gz WHAXXXWBTWAVAV-KGLIPLIRSA-N 2 0 295.431 -0.184 20 0 CBADRP O=C(CN1CC[C@@]2(C1)CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC001332425181 887274847 /nfs/dbraw/zinc/27/48/47/887274847.db2.gz WYGAMQOICJMVBH-AWEZNQCLSA-N 2 0 266.389 -0.506 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CCCO1 ZINC001332435689 887282258 /nfs/dbraw/zinc/28/22/58/887282258.db2.gz KBSMJBOFHPNBIG-MDZLAQPJSA-N 2 0 253.346 -0.438 20 0 CBADRP CN1CC[NH+](CC2CCN(C(=O)CC[NH3+])CC2)CC1 ZINC001332449090 887287630 /nfs/dbraw/zinc/28/76/30/887287630.db2.gz DIGAPOWCCMFOBL-UHFFFAOYSA-N 2 0 268.405 -0.179 20 0 CBADRP O=S1(=O)CCNC[C@H]1CC[NH2+]CC1CC[NH2+]CC1 ZINC001332473829 887307563 /nfs/dbraw/zinc/30/75/63/887307563.db2.gz SVFYRYDVWMSUAV-GFCCVEGCSA-N 2 0 275.418 -0.648 20 0 CBADRP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001447818869 913133727 /nfs/dbraw/zinc/13/37/27/913133727.db2.gz FBVDNRWEPVHOEP-WXRRBKDZSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001332487261 887314021 /nfs/dbraw/zinc/31/40/21/887314021.db2.gz GBFKZHKKIIXIQW-ZIAGYGMSSA-N 2 0 299.415 -0.308 20 0 CBADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC001332555330 887351716 /nfs/dbraw/zinc/35/17/16/887351716.db2.gz ITPRDAIRAJOIJU-FPYNETTCSA-N 2 0 267.373 -0.003 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCC2(C[NH3+])CC2)CC[N@@H+]1C ZINC001332694792 887408981 /nfs/dbraw/zinc/40/89/81/887408981.db2.gz YQWSENJZMDUWDO-NWDGAFQWSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@H](CC[NH3+])C(F)F ZINC001332723684 887417357 /nfs/dbraw/zinc/41/73/57/887417357.db2.gz KCJUDLMOPHUXHF-JGVFFNPUSA-N 2 0 252.309 -0.636 20 0 CBADRP CN(CCC[NH3+])C(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001332962344 887489342 /nfs/dbraw/zinc/48/93/42/887489342.db2.gz WUFJRMYKNHHNGI-KRWDZBQOSA-N 2 0 261.391 -0.706 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC001332961747 887489955 /nfs/dbraw/zinc/48/99/55/887489955.db2.gz MNEZYSVSYZUVGD-FRRDWIJNSA-N 2 0 268.405 -0.134 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC001332976547 887492431 /nfs/dbraw/zinc/49/24/31/887492431.db2.gz PSOQBTTZLFXPII-JTQLQIEISA-N 2 0 263.345 -0.249 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001332993278 887498050 /nfs/dbraw/zinc/49/80/50/887498050.db2.gz KEUTUMUWRLFZCS-JOCQHMNTSA-N 2 0 268.405 -0.133 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@H](C[NH3+])OC)CC1 ZINC001333177614 887553209 /nfs/dbraw/zinc/55/32/09/887553209.db2.gz FRXWMQTZIMQBAW-LBPRGKRZSA-N 2 0 272.393 -0.896 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001333180167 887556424 /nfs/dbraw/zinc/55/64/24/887556424.db2.gz YHBGNJOMXNBMLS-SDDRHHMPSA-N 2 0 282.388 -0.417 20 0 CBADRP [NH3+]CCN(CC(F)(F)F)C(=O)C[C@H]1COCC[NH2+]1 ZINC001333216449 887561080 /nfs/dbraw/zinc/56/10/80/887561080.db2.gz XJIBUDGFLRXHMV-QMMMGPOBSA-N 2 0 269.267 -0.286 20 0 CBADRP C[C@H]1CCN(C(=O)c2c(C[NH3+])cnn2C)C[C@H]1C[NH3+] ZINC001333338888 887602798 /nfs/dbraw/zinc/60/27/98/887602798.db2.gz TXBLNFMFPYMQLL-GXSJLCMTSA-N 2 0 265.361 -0.064 20 0 CBADRP O=C(NCCC[NH+]1CCCCC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001333377330 887613583 /nfs/dbraw/zinc/61/35/83/887613583.db2.gz FZNCPQPRXTZUMB-STQMWFEESA-N 2 0 294.399 -0.449 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC001333529124 887677474 /nfs/dbraw/zinc/67/74/74/887677474.db2.gz LJYSMXWDQLAHIX-CRWXNKLISA-N 2 0 269.389 -0.366 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC001333548275 887686665 /nfs/dbraw/zinc/68/66/65/887686665.db2.gz LZTMLMQBVUAZLI-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001447935602 913171816 /nfs/dbraw/zinc/17/18/16/913171816.db2.gz RUTZCSLODRYPPB-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001333636420 887728860 /nfs/dbraw/zinc/72/88/60/887728860.db2.gz RLSXUGRLKDSLDL-ZIAGYGMSSA-N 2 0 299.415 -0.033 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1[C@H]2CCC[NH2+][C@H]2C1(C)C ZINC001333670100 887740391 /nfs/dbraw/zinc/74/03/91/887740391.db2.gz LMZJOIMAEGLTIJ-UKKRHICBSA-N 2 0 255.362 -0.147 20 0 CBADRP CC[NH+]1CCN(CC(=O)NCCC(C)(C)[NH3+])CC1 ZINC001333695223 887746191 /nfs/dbraw/zinc/74/61/91/887746191.db2.gz AMFHPAOPGJUCSW-UHFFFAOYSA-N 2 0 256.394 -0.133 20 0 CBADRP CN1CC[NH+](C2CCN(C(=O)NCCC[NH3+])CC2)CC1 ZINC001334211854 887893342 /nfs/dbraw/zinc/89/33/42/887893342.db2.gz BCBNPAPWIVUBHM-UHFFFAOYSA-N 2 0 283.420 -0.243 20 0 CBADRP NS(=O)(=O)C[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC001334337779 887925702 /nfs/dbraw/zinc/92/57/02/887925702.db2.gz KQJGHNUULPXFIX-MNOVXSKESA-N 2 0 261.391 -0.404 20 0 CBADRP C[C@H](Cn1cncn1)[NH2+]C1CCN(CC[NH3+])CC1 ZINC001334773884 888320676 /nfs/dbraw/zinc/32/06/76/888320676.db2.gz AQUCWYSRXYPOKK-LLVKDONJSA-N 2 0 252.366 -0.321 20 0 CBADRP CCOC(=O)[C@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC001334824176 888339618 /nfs/dbraw/zinc/33/96/18/888339618.db2.gz SHTWWHXCRZIQIJ-GRYCIOLGSA-N 2 0 255.362 -0.321 20 0 CBADRP [NH3+][C@H](CC(F)F)CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001334829514 888340257 /nfs/dbraw/zinc/34/02/57/888340257.db2.gz WNGGLSWVXGYUID-GHMZBOCLSA-N 2 0 262.348 -0.052 20 0 CBADRP [NH3+][C@H](CC(F)F)CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001334829515 888340528 /nfs/dbraw/zinc/34/05/28/888340528.db2.gz WNGGLSWVXGYUID-MNOVXSKESA-N 2 0 262.348 -0.052 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001335202908 888442163 /nfs/dbraw/zinc/44/21/63/888442163.db2.gz SBFUQPWLCJTQRL-QWRGUYRKSA-N 2 0 257.382 -0.779 20 0 CBADRP C[C@@H]1C[N@H+](CC(=O)N2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC001335180445 888432711 /nfs/dbraw/zinc/43/27/11/888432711.db2.gz HCOVASJELDSHPF-NEPJUHHUSA-N 3 0 254.378 -0.665 20 0 CBADRP Cc1ccc(NC(=O)CNC(C[NH3+])C[NH3+])c(F)c1 ZINC001335189534 888437908 /nfs/dbraw/zinc/43/79/08/888437908.db2.gz BOECKODNVRIWNW-UHFFFAOYSA-N 2 0 254.309 -0.052 20 0 CBADRP CC(=O)NC1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001335191031 888438460 /nfs/dbraw/zinc/43/84/60/888438460.db2.gz XJHCNDAHJCVENF-ZDUSSCGKSA-N 2 0 267.373 -0.035 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001335207060 888448569 /nfs/dbraw/zinc/44/85/69/888448569.db2.gz OHWXLAYDLIAXPR-AULYBMBSSA-N 2 0 296.415 -0.171 20 0 CBADRP CN(C(=O)NC[C@@H]1COCC[NH2+]1)C1CC[NH2+]CC1 ZINC001335215917 888451640 /nfs/dbraw/zinc/45/16/40/888451640.db2.gz HJFJYNOCITZZLA-SNVBAGLBSA-N 2 0 256.350 -0.632 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001335230242 888458654 /nfs/dbraw/zinc/45/86/54/888458654.db2.gz MSUQQFCZRPQKJT-LLVKDONJSA-N 2 0 280.372 -0.793 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)C(=O)NCCC[NH3+])C[C@H]2C1 ZINC001335234120 888460118 /nfs/dbraw/zinc/46/01/18/888460118.db2.gz JIVQGEXTBNTXMA-YNEHKIRRSA-N 2 0 296.415 -0.360 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NC3C[NH2+]C3)C[C@@H]2C1 ZINC001335234948 888461277 /nfs/dbraw/zinc/46/12/77/888461277.db2.gz RGUACWSMGRPSRP-NTZNESFSSA-N 2 0 294.399 -0.737 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CCN(C)CC[NH+](C)CC1 ZINC001335243958 888463773 /nfs/dbraw/zinc/46/37/73/888463773.db2.gz NGSQJCSOPZJMOY-AWEZNQCLSA-N 2 0 272.437 -0.522 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001335251283 888469093 /nfs/dbraw/zinc/46/90/93/888469093.db2.gz AKUNXKFEQCVXSK-COPLHBTASA-N 2 0 282.388 -0.750 20 0 CBADRP C[C@@]1([NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)CCNC1=O ZINC001335288628 888486241 /nfs/dbraw/zinc/48/62/41/888486241.db2.gz HOBOPUUYXGLFFK-ZWNOBZJWSA-N 2 0 268.361 -0.948 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001335306959 888493510 /nfs/dbraw/zinc/49/35/10/888493510.db2.gz ADWULZBHKTXSTH-FJJSSXBZSA-N 2 0 255.362 -0.328 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCNCC[NH2+]CC1 ZINC001335384256 888519915 /nfs/dbraw/zinc/51/99/15/888519915.db2.gz MMLXFKXRKWAILG-KGLIPLIRSA-N 2 0 295.431 -0.182 20 0 CBADRP C[C@@H](C[NH2+]CCCN(C)CC[NH+](C)C)S(C)(=O)=O ZINC001335396911 888522199 /nfs/dbraw/zinc/52/21/99/888522199.db2.gz LDELDOBKHXXIKP-LBPRGKRZSA-N 2 0 279.450 -0.107 20 0 CBADRP CCO[C@H](CC[NH+](C)C)C[NH2+]CCC(=O)NC(N)=O ZINC001335413269 888525520 /nfs/dbraw/zinc/52/55/20/888525520.db2.gz VWPIPONJFSHQCS-SNVBAGLBSA-N 2 0 274.365 -0.482 20 0 CBADRP C[NH+]1CCC(O)(C[NH2+]C[C@@H](O)CC(C)(C)O)CC1 ZINC001335439758 888534460 /nfs/dbraw/zinc/53/44/60/888534460.db2.gz GUNGJJRHFRCQNE-NSHDSACASA-N 2 0 260.378 -0.445 20 0 CBADRP CN1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1=O ZINC001335449218 888534999 /nfs/dbraw/zinc/53/49/99/888534999.db2.gz SEYLQSCZRRIRCZ-RYUDHWBXSA-N 2 0 255.362 -0.347 20 0 CBADRP [NH3+]C[C@H]1CN(C[C@H]2CCc3ncnn32)CCCO1 ZINC001335521815 888554191 /nfs/dbraw/zinc/55/41/91/888554191.db2.gz MHCWKRGDJNVGAO-MNOVXSKESA-N 2 0 251.334 -0.185 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC001335536501 888556630 /nfs/dbraw/zinc/55/66/30/888556630.db2.gz GDRXWMZRTUTGEZ-CYBMUJFWSA-N 2 0 283.420 -0.338 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)NCC[NH2+]C1CC1 ZINC001335537847 888560227 /nfs/dbraw/zinc/56/02/27/888560227.db2.gz NPXNOZKAKOTROE-NSHDSACASA-N 2 0 256.350 -0.632 20 0 CBADRP [NH3+]CCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001335584641 888572418 /nfs/dbraw/zinc/57/24/18/888572418.db2.gz PZJJXDGJFIXFPP-BQBZGAKWSA-N 2 0 254.256 -0.134 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001335593343 888576642 /nfs/dbraw/zinc/57/66/42/888576642.db2.gz WVJRJOIYFNSVHJ-DCAQKATOSA-N 2 0 256.350 -0.647 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N(CC[NH3+])CCO ZINC001335606791 888583839 /nfs/dbraw/zinc/58/38/39/888583839.db2.gz IIKQTVBELTXABK-GHMZBOCLSA-N 2 0 258.366 -0.805 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)N[C@H]2C[C@H](C[NH3+])C2)CCO1 ZINC001335696684 888606086 /nfs/dbraw/zinc/60/60/86/888606086.db2.gz PYNZZDBPAXGDHK-GWOFURMSSA-N 2 0 256.350 -0.519 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001335788962 888629672 /nfs/dbraw/zinc/62/96/72/888629672.db2.gz ONYHMKZGATVGQR-RWMBFGLXSA-N 2 0 268.405 -0.182 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001335831332 888640383 /nfs/dbraw/zinc/64/03/83/888640383.db2.gz JSUGDNUDUIMLFX-AVGNSLFASA-N 2 0 294.399 -0.463 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001335834457 888642091 /nfs/dbraw/zinc/64/20/91/888642091.db2.gz XUYPTBZAJMGUGK-QNWHQSFQSA-N 2 0 294.399 -0.594 20 0 CBADRP C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)C1 ZINC001335933786 888655172 /nfs/dbraw/zinc/65/51/72/888655172.db2.gz MALNVDJUIOAYDE-UPJWGTAASA-N 2 0 258.362 -0.570 20 0 CBADRP C[NH+]1CCC(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001335942414 888658448 /nfs/dbraw/zinc/65/84/48/888658448.db2.gz PYFNRQQJIPOABK-OAHLLOKOSA-N 3 0 284.448 -0.474 20 0 CBADRP C(N1CC[C@H](N2CC[NH2+]CC2)C1)C12CC(C1)C[NH2+]2 ZINC001335947559 888658518 /nfs/dbraw/zinc/65/85/18/888658518.db2.gz AZWUIAGICDVZTQ-MOKVOYLWSA-N 2 0 250.390 -0.282 20 0 CBADRP CC[C@](C)(O)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001335949731 888659931 /nfs/dbraw/zinc/65/99/31/888659931.db2.gz FLRWJPBMMAUCME-STQMWFEESA-N 2 0 259.394 -0.655 20 0 CBADRP CC[C@@](C)(O)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001335949729 888659958 /nfs/dbraw/zinc/65/99/58/888659958.db2.gz FLRWJPBMMAUCME-QWHCGFSZSA-N 2 0 259.394 -0.655 20 0 CBADRP C[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1C[NH+](C)CCN1C ZINC001335987495 888666758 /nfs/dbraw/zinc/66/67/58/888666758.db2.gz SMRHBRYMGKEFGL-CFVMTHIKSA-N 2 0 284.448 -0.335 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC001336038877 888679221 /nfs/dbraw/zinc/67/92/21/888679221.db2.gz BXKQNKUFRRYWDL-RNFRBKRXSA-N 2 0 256.272 -0.729 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC001336038874 888680736 /nfs/dbraw/zinc/68/07/36/888680736.db2.gz BXKQNKUFRRYWDL-BQBZGAKWSA-N 2 0 256.272 -0.729 20 0 CBADRP [NH3+]C1(CNC(=O)N2CCNCC[NH2+]CC2)CCCC1 ZINC001336141155 888704117 /nfs/dbraw/zinc/70/41/17/888704117.db2.gz KLXVEKCVWGBHLX-UHFFFAOYSA-N 2 0 269.393 -0.538 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001336252528 888728985 /nfs/dbraw/zinc/72/89/85/888728985.db2.gz PBEJCDVIZUBVRC-LSCVPOLPSA-N 2 0 268.361 -0.755 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC001336625872 888822172 /nfs/dbraw/zinc/82/21/72/888822172.db2.gz CFQKWMLSMWCBGQ-UHFFFAOYSA-N 2 0 280.372 -0.663 20 0 CBADRP CC[NH+](CC)C1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC001336671778 888841121 /nfs/dbraw/zinc/84/11/21/888841121.db2.gz MTQMAHDZTBVTOW-UHFFFAOYSA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001336684098 888845926 /nfs/dbraw/zinc/84/59/26/888845926.db2.gz UTHBQTXVPAEKEG-AULYBMBSSA-N 2 0 296.415 -0.171 20 0 CBADRP [NH3+]CC1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001336687970 888847167 /nfs/dbraw/zinc/84/71/67/888847167.db2.gz SCHNNQOJLTUQOM-CYBMUJFWSA-N 2 0 255.362 -0.312 20 0 CBADRP C[N@@H+]1CCCN(CCC[NH2+]CCC(=O)NC(N)=O)CC1 ZINC001336751462 888867392 /nfs/dbraw/zinc/86/73/92/888867392.db2.gz RNODAUIHDAFWSQ-UHFFFAOYSA-N 2 0 285.392 -0.811 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001336756253 888867507 /nfs/dbraw/zinc/86/75/07/888867507.db2.gz USRZKVUIZSUWTF-LBPRGKRZSA-N 2 0 269.393 -0.715 20 0 CBADRP CC1(C)CN(C(=O)NCCCN2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001336882368 888908217 /nfs/dbraw/zinc/90/82/17/888908217.db2.gz AKQCIMMDHYRRPM-GFCCVEGCSA-N 2 0 283.420 -0.340 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)N1CCNCC[NH2+]CC1 ZINC001336893152 888909712 /nfs/dbraw/zinc/90/97/12/888909712.db2.gz IGGXEKPJANMAAO-LLVKDONJSA-N 2 0 257.382 -0.811 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)N1CC[NH2+]C[C@H]1COC ZINC001336905301 888915404 /nfs/dbraw/zinc/91/54/04/888915404.db2.gz DHTQGOODMVWASN-MNOVXSKESA-N 2 0 258.366 -0.528 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001336907519 888916194 /nfs/dbraw/zinc/91/61/94/888916194.db2.gz HDJBYABIOBOXHV-UKKRHICBSA-N 2 0 254.334 -0.833 20 0 CBADRP [NH3+]C1(CNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCOCC1 ZINC001336906267 888916246 /nfs/dbraw/zinc/91/62/46/888916246.db2.gz FGYKZKUTUNKTMJ-HBNTYKKESA-N 2 0 268.361 -0.314 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)NCCOCCC[NH3+] ZINC001336923670 888922231 /nfs/dbraw/zinc/92/22/31/888922231.db2.gz SVCTYAMJKYJHGX-SNVBAGLBSA-N 2 0 258.366 -0.351 20 0 CBADRP CC1(C)CN(C(=O)NCCOCCC[NH3+])C[C@H]1[NH3+] ZINC001336933755 888924683 /nfs/dbraw/zinc/92/46/83/888924683.db2.gz MPPDAJZLJGLZFG-SNVBAGLBSA-N 2 0 258.366 -0.270 20 0 CBADRP C[N@@H+]1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1(C)C ZINC001337015480 888948787 /nfs/dbraw/zinc/94/87/87/888948787.db2.gz DSDXQGQZLWCEQI-WDEREUQCSA-N 2 0 255.362 -0.097 20 0 CBADRP C[C@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001448458243 913298957 /nfs/dbraw/zinc/29/89/57/913298957.db2.gz ZURKBAJGHQMSEE-XDQVBPFNSA-N 2 0 281.400 -0.243 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001337419675 889003832 /nfs/dbraw/zinc/00/38/32/889003832.db2.gz CVCVBSUXSNXXTB-GMTAPVOTSA-N 2 0 280.372 -0.713 20 0 CBADRP CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC001337420182 889005490 /nfs/dbraw/zinc/00/54/90/889005490.db2.gz HCUVYZJEDQIDMW-WCQYABFASA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H]([NH2+]CCO)[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001448462500 913300117 /nfs/dbraw/zinc/30/01/17/913300117.db2.gz RRBIBMKCNZFLKL-CHWSQXEVSA-N 2 0 299.415 -0.474 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N1CCN(C)C(C)(C)C1 ZINC001337470526 889014407 /nfs/dbraw/zinc/01/44/07/889014407.db2.gz FHBQOWUYXMRWLV-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC[C@@H]21 ZINC001337517149 889029589 /nfs/dbraw/zinc/02/95/89/889029589.db2.gz XINJRWFNCRCOOM-RVMXOQNASA-N 2 0 294.399 -0.608 20 0 CBADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC001337805639 889079214 /nfs/dbraw/zinc/07/92/14/889079214.db2.gz NQECUFULAHPVMZ-UWVGGRQHSA-N 2 0 252.318 -0.192 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001338262670 889130799 /nfs/dbraw/zinc/13/07/99/889130799.db2.gz MESJBEYFIMHRLV-UMSPYCQHSA-N 2 0 282.388 -0.560 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC001338369656 889148293 /nfs/dbraw/zinc/14/82/93/889148293.db2.gz VLHNFVINULYLST-RYUDHWBXSA-N 2 0 267.373 -0.048 20 0 CBADRP O=C(NC1CC[NH2+]CC1)[C@H]1[NH2+]CC12CCOCC2 ZINC001338370031 889148955 /nfs/dbraw/zinc/14/89/55/889148955.db2.gz XQDIPIJXLUXYSS-LLVKDONJSA-N 2 0 253.346 -0.377 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001338370011 889148964 /nfs/dbraw/zinc/14/89/64/889148964.db2.gz WKLDLWKEEGAQPF-LOWVWBTDSA-N 2 0 255.362 -0.443 20 0 CBADRP C[NH+]1CCN(CC[NH2+]C[C@H](O)CC2(O)CCCC2)CC1 ZINC001338420678 889155552 /nfs/dbraw/zinc/15/55/52/889155552.db2.gz ANPPTZNDZMXOJM-CQSZACIVSA-N 2 0 285.432 -0.121 20 0 CBADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@@H](O)COC)CC1 ZINC001338450646 889161072 /nfs/dbraw/zinc/16/10/72/889161072.db2.gz XHQZOALKJGVZTE-QWHCGFSZSA-N 2 0 259.394 -0.391 20 0 CBADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCNCC[NH2+]CC1 ZINC001338536179 889173409 /nfs/dbraw/zinc/17/34/09/889173409.db2.gz XUVPHAVWGAIAMC-CQSZACIVSA-N 2 0 295.431 -0.325 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC001338641819 889183625 /nfs/dbraw/zinc/18/36/25/889183625.db2.gz UDQDZPPKDGHACZ-MXWKQRLJSA-N 2 0 258.366 -0.258 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001338640616 889184197 /nfs/dbraw/zinc/18/41/97/889184197.db2.gz HDJBYABIOBOXHV-CHWFTXMASA-N 2 0 254.334 -0.833 20 0 CBADRP C[NH2+]CCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001338627707 889184210 /nfs/dbraw/zinc/18/42/10/889184210.db2.gz XBWFJFOTFWRJRW-NEPJUHHUSA-N 2 0 270.377 -0.554 20 0 CBADRP C[C@@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001338626467 889184760 /nfs/dbraw/zinc/18/47/60/889184760.db2.gz VYTUTRMXHLZTSR-VXGBXAGGSA-N 2 0 269.393 -0.730 20 0 CBADRP CN(C(=O)NCCCC[NH3+])C1(C[NH3+])CCOCC1 ZINC001338644913 889187476 /nfs/dbraw/zinc/18/74/76/889187476.db2.gz NXSYIJQFDBJISE-UHFFFAOYSA-N 2 0 258.366 -0.125 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCO1 ZINC001338765202 889202352 /nfs/dbraw/zinc/20/23/52/889202352.db2.gz DYRGJEWCXLNPOG-VPOLOUISSA-N 2 0 254.334 -0.752 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001448602781 913326391 /nfs/dbraw/zinc/32/63/91/913326391.db2.gz MURZYCHZQBIYRK-GFCCVEGCSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@H]1CCC[NH2+]C1 ZINC001339708941 889311086 /nfs/dbraw/zinc/31/10/86/889311086.db2.gz JMJYMIIYMNBZGC-AGIUHOORSA-N 2 0 266.389 -0.510 20 0 CBADRP [NH3+]C[C@H]1CCN(C(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001339708952 889311347 /nfs/dbraw/zinc/31/13/47/889311347.db2.gz JRLFXGHLODCMNH-GFCCVEGCSA-N 2 0 255.362 -0.502 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001339722864 889314277 /nfs/dbraw/zinc/31/42/77/889314277.db2.gz GBGYGRANQHWHMB-AVGNSLFASA-N 2 0 266.389 -0.415 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)C1 ZINC001339716103 889314706 /nfs/dbraw/zinc/31/47/06/889314706.db2.gz RZLZVMUULCMPSR-FRRDWIJNSA-N 2 0 266.389 -0.557 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001340150095 889397253 /nfs/dbraw/zinc/39/72/53/889397253.db2.gz YWLSFDJEHNCXGV-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]CCNCC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC001340167855 889401159 /nfs/dbraw/zinc/40/11/59/889401159.db2.gz LTFQXCMZXMGTBW-UHFFFAOYSA-N 2 0 276.384 -0.291 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001340180129 889404594 /nfs/dbraw/zinc/40/45/94/889404594.db2.gz BDMQGZXBDUJKDO-LOWVWBTDSA-N 2 0 253.346 -0.519 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001340199265 889407945 /nfs/dbraw/zinc/40/79/45/889407945.db2.gz FPHGGYZABYTICT-AAEUAGOBSA-N 2 0 257.378 -0.053 20 0 CBADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001340206040 889408555 /nfs/dbraw/zinc/40/85/55/889408555.db2.gz OIHNPQMOUODMBI-GFCCVEGCSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)CNCC[NH3+])C1 ZINC001340240107 889414756 /nfs/dbraw/zinc/41/47/56/889414756.db2.gz FMCDGHQFLRLGEY-ZDUSSCGKSA-N 2 0 286.420 -0.506 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)C2CC([NH2+]C)C2)CC1 ZINC001340242732 889415000 /nfs/dbraw/zinc/41/50/00/889415000.db2.gz XDYXCDNYMBDAOV-UHFFFAOYSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC001340282778 889416998 /nfs/dbraw/zinc/41/69/98/889416998.db2.gz PMJDOKKQGWYRJO-WHOHXGKFSA-N 2 0 255.362 -0.003 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCC23CCC3)CCO1 ZINC001340268101 889417434 /nfs/dbraw/zinc/41/74/34/889417434.db2.gz XPRUPOTUOUGBLT-NEPJUHHUSA-N 2 0 267.373 -0.048 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC001340311237 889420322 /nfs/dbraw/zinc/42/03/22/889420322.db2.gz HWSSQVKIORBQII-DCAQKATOSA-N 2 0 257.378 -0.293 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC001340328264 889421722 /nfs/dbraw/zinc/42/17/22/889421722.db2.gz SCSWKRFRLZYLAY-JLLWLGSASA-N 2 0 257.378 -0.164 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCc1ccc(C[NH3+])cc1 ZINC001340403529 889430197 /nfs/dbraw/zinc/43/01/97/889430197.db2.gz BDCAOPFKJFHYDB-GWCFXTLKSA-N 2 0 265.357 -0.022 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCc1ccc(C[NH3+])cc1 ZINC001340403532 889431429 /nfs/dbraw/zinc/43/14/29/889431429.db2.gz BDCAOPFKJFHYDB-ZWNOBZJWSA-N 2 0 265.357 -0.022 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC001340465316 889436933 /nfs/dbraw/zinc/43/69/33/889436933.db2.gz YPUPZTWVFLVFNY-GWCFXTLKSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001340467732 889437008 /nfs/dbraw/zinc/43/70/08/889437008.db2.gz BKRJVZCJICLRAT-WOPDTQHZSA-N 2 0 268.405 -0.136 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001340478971 889439976 /nfs/dbraw/zinc/43/99/76/889439976.db2.gz VYJSWKQXVJYXFB-SDDRHHMPSA-N 2 0 254.378 -0.654 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)CC1 ZINC001340487996 889440241 /nfs/dbraw/zinc/44/02/41/889440241.db2.gz FBYVNLKCIKNAKJ-MFKMUULPSA-N 2 0 253.346 -0.559 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001340527634 889442825 /nfs/dbraw/zinc/44/28/25/889442825.db2.gz QVCNLSHYLFNRFA-YFKTTZPYSA-N 2 0 254.378 -0.383 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC23CCCC3)CCO1 ZINC001340530807 889443064 /nfs/dbraw/zinc/44/30/64/889443064.db2.gz PHUNCUPUWPGTON-MNOVXSKESA-N 2 0 253.346 -0.295 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001340526282 889443725 /nfs/dbraw/zinc/44/37/25/889443725.db2.gz BUMJTAJDTIFADD-ZDUSSCGKSA-N 2 0 299.415 -0.161 20 0 CBADRP CSCC[C@H]([NH3+])CC(=O)N(C)CCOCC[NH3+] ZINC001340720791 889474357 /nfs/dbraw/zinc/47/43/57/889474357.db2.gz XENGXWIGHUPWNW-JTQLQIEISA-N 2 0 263.407 -0.109 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCC(C)(C)C[NH+](C)C ZINC001340774690 889485255 /nfs/dbraw/zinc/48/52/55/889485255.db2.gz TWRDDWUTIFEAEL-GHMZBOCLSA-N 2 0 259.394 -0.093 20 0 CBADRP C[C@@H](C(=O)NCC1(O)C[NH2+]C1)[C@@H]([NH3+])c1ccccc1 ZINC001340711105 889471001 /nfs/dbraw/zinc/47/10/01/889471001.db2.gz ZFOSUCPKLBCZHY-ZYHUDNBSSA-N 2 0 263.341 -0.227 20 0 CBADRP C[NH2+]CCCCC(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001340727279 889473178 /nfs/dbraw/zinc/47/31/78/889473178.db2.gz NSYYBXPECOOMJC-LBPRGKRZSA-N 2 0 257.378 -0.051 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340736450 889476749 /nfs/dbraw/zinc/47/67/49/889476749.db2.gz SHVIMIUONDVKTG-SECBINFHSA-N 2 0 254.334 -0.310 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001340735735 889476762 /nfs/dbraw/zinc/47/67/62/889476762.db2.gz PGXXRXNOHQSJJL-WDEREUQCSA-N 2 0 253.346 -0.282 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH3+])CC(O)C1 ZINC001340773766 889485458 /nfs/dbraw/zinc/48/54/58/889485458.db2.gz KGDIPUXZXVZJRD-ZBOXLXRLSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1)C1CC[NH2+]CC1 ZINC001340787009 889486902 /nfs/dbraw/zinc/48/69/02/889486902.db2.gz JSXMAAHADLBXKE-NDMJEZRESA-N 2 0 255.362 -0.396 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC001340789251 889486923 /nfs/dbraw/zinc/48/69/23/889486923.db2.gz ISXQVRLCQOSBJF-NWDGAFQWSA-N 2 0 257.378 -0.195 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)C1=O ZINC001340795563 889487687 /nfs/dbraw/zinc/48/76/87/889487687.db2.gz HQFGUDDQFVWJRE-YNEHKIRRSA-N 2 0 294.399 -0.463 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001340794919 889487914 /nfs/dbraw/zinc/48/79/14/889487914.db2.gz AHZJPAJMGXQJCQ-LOWDOPEQSA-N 2 0 269.389 -0.197 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001340825284 889493128 /nfs/dbraw/zinc/49/31/28/889493128.db2.gz WXTMDARGRYQKIG-YPMHNXCESA-N 2 0 255.362 -0.299 20 0 CBADRP C[C@]1(C(=O)N[C@H]2CC[NH2+]C23CCC3)C[C@H](O)C[NH2+]1 ZINC001340823740 889493320 /nfs/dbraw/zinc/49/33/20/889493320.db2.gz HAPCOVMVKRJLML-JBLDHEPKSA-N 2 0 253.346 -0.500 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C[C@H](O)C[NH2+]1 ZINC001340823738 889493374 /nfs/dbraw/zinc/49/33/74/889493374.db2.gz HAPCOVMVKRJLML-HOSYDEDBSA-N 2 0 253.346 -0.500 20 0 CBADRP CC(C)[N@H+](C)CCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001340847153 889498372 /nfs/dbraw/zinc/49/83/72/889498372.db2.gz XRWZAWHCTVHABG-CYBMUJFWSA-N 2 0 257.378 -0.053 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001340862878 889500213 /nfs/dbraw/zinc/50/02/13/889500213.db2.gz LJAYOFCGIPNMCF-WVMKXHBISA-N 2 0 269.389 -0.054 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)c1cccc(C[NH3+])c1 ZINC001340862970 889500454 /nfs/dbraw/zinc/50/04/54/889500454.db2.gz MQYZJOZMMZTZRK-LBPRGKRZSA-N 2 0 251.330 -0.202 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001340866836 889500664 /nfs/dbraw/zinc/50/06/64/889500664.db2.gz MICCKGZKBKBYQY-XQQFMLRXSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)CCC1CC[NH2+]CC1 ZINC001340863305 889501449 /nfs/dbraw/zinc/50/14/49/889501449.db2.gz PYCBUROZPQMGPW-LBPRGKRZSA-N 2 0 257.378 -0.195 20 0 CBADRP O=C([C@@H]1CCC[NH2+]CC1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001340868808 889502955 /nfs/dbraw/zinc/50/29/55/889502955.db2.gz VMYOYJQBOAPWIY-CHWSQXEVSA-N 2 0 269.389 -0.051 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC001340882139 889503324 /nfs/dbraw/zinc/50/33/24/889503324.db2.gz VXMDRQPFLGDKOP-NEPJUHHUSA-N 2 0 254.378 -0.652 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC001340891628 889505801 /nfs/dbraw/zinc/50/58/01/889505801.db2.gz BAGNPTIOYPLEKM-URBCHYCLSA-N 2 0 269.389 -0.198 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001340905401 889508977 /nfs/dbraw/zinc/50/89/77/889508977.db2.gz UKPOMFBRZFVNOM-WOPDTQHZSA-N 2 0 267.373 -0.273 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N(C)C1CC[NH+](C)CC1 ZINC001340907240 889509498 /nfs/dbraw/zinc/50/94/98/889509498.db2.gz IAJCRJBLSFDXFB-JQWIXIFHSA-N 2 0 257.378 -0.245 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001340905514 889509984 /nfs/dbraw/zinc/50/99/84/889509984.db2.gz GPARAHKDOFNXNA-CABZTGNLSA-N 2 0 254.334 -0.262 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001340905400 889510264 /nfs/dbraw/zinc/51/02/64/889510264.db2.gz UKPOMFBRZFVNOM-GRYCIOLGSA-N 2 0 267.373 -0.273 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCCN1CCC([NH3+])CC1 ZINC001340944582 889520109 /nfs/dbraw/zinc/52/01/09/889520109.db2.gz YCQLZZBYKLLYHF-VXGBXAGGSA-N 2 0 268.405 -0.229 20 0 CBADRP [NH3+]Cc1cc(C(=O)NCCN2CCC([NH3+])CC2)co1 ZINC001340943413 889520308 /nfs/dbraw/zinc/52/03/08/889520308.db2.gz TWUGVAJSZHHRQC-UHFFFAOYSA-N 2 0 266.345 -0.109 20 0 CBADRP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[NH2+]C[C@H]1CO ZINC001340955158 889523388 /nfs/dbraw/zinc/52/33/88/889523388.db2.gz XKXXLZVGNKAVED-QWRGUYRKSA-N 2 0 253.346 -0.831 20 0 CBADRP C[C@@H](CC(=O)N1CC[NH2+]C[C@H]1CO)C1CC[NH2+]CC1 ZINC001340954452 889523835 /nfs/dbraw/zinc/52/38/35/889523835.db2.gz RJCHXRAUQDJYRC-AAEUAGOBSA-N 2 0 269.389 -0.195 20 0 CBADRP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CC[NH2+]C[C@H]1CO ZINC001340953925 889524101 /nfs/dbraw/zinc/52/41/01/889524101.db2.gz PHQUZPTTZXIYCT-AVGNSLFASA-N 2 0 267.373 -0.204 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001341010168 889534324 /nfs/dbraw/zinc/53/43/24/889534324.db2.gz FYENBFNCOHDIDT-XZUYRWCXSA-N 2 0 255.362 -0.275 20 0 CBADRP C[C@H]([NH3+])CC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001341072255 889540387 /nfs/dbraw/zinc/54/03/87/889540387.db2.gz MVIDRQQIWZPLPT-LBPRGKRZSA-N 2 0 256.394 -0.085 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001341096997 889542755 /nfs/dbraw/zinc/54/27/55/889542755.db2.gz JTGZJUHLMVUJEH-YFKTTZPYSA-N 2 0 257.378 -0.354 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)CCCO1 ZINC001341101405 889544553 /nfs/dbraw/zinc/54/45/53/889544553.db2.gz BVZHQUUVOTUMPM-LOWVWBTDSA-N 2 0 253.346 -0.438 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)c1cn(CC[NH3+])nn1 ZINC001341145663 889550577 /nfs/dbraw/zinc/55/05/77/889550577.db2.gz QSLRKBYECSQANL-KXUCPTDWSA-N 2 0 266.349 -0.552 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001341155121 889550525 /nfs/dbraw/zinc/55/05/25/889550525.db2.gz ZXUJWSFPXQETES-YFKTTZPYSA-N 2 0 255.362 -0.729 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001341176135 889553343 /nfs/dbraw/zinc/55/33/43/889553343.db2.gz FXLQJPIYIQTWPW-OUCADQQQSA-N 2 0 268.405 -0.086 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC001341238310 889563481 /nfs/dbraw/zinc/56/34/81/889563481.db2.gz JMORXDYYVYQTIW-DGCLKSJQSA-N 2 0 255.362 -0.169 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC001341244615 889565633 /nfs/dbraw/zinc/56/56/33/889565633.db2.gz QICFLDFZVCMSNN-QCNOEVLYSA-N 2 0 257.378 -0.293 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC001341242399 889565959 /nfs/dbraw/zinc/56/59/59/889565959.db2.gz BABMRZYOZCGFNR-YFKTTZPYSA-N 2 0 257.378 -0.069 20 0 CBADRP CC[NH2+]CCNC(=O)C1CC2(C1)C[C@H]([NH3+])CCO2 ZINC001341242386 889566179 /nfs/dbraw/zinc/56/61/79/889566179.db2.gz ARVDCHYHOYXWAX-QWKFWESOSA-N 2 0 255.362 -0.001 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001341273114 889570109 /nfs/dbraw/zinc/57/01/09/889570109.db2.gz YWDONZPJCREADV-TUAOUCFPSA-N 2 0 255.362 -0.193 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001341338747 889577929 /nfs/dbraw/zinc/57/79/29/889577929.db2.gz IEMWYULHVDNUGG-CYBMUJFWSA-N 2 0 255.362 -0.033 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001341370477 889582975 /nfs/dbraw/zinc/58/29/75/889582975.db2.gz YQTVDMMQUQYHAM-NXEZZACHSA-N 2 0 253.346 -0.378 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001341370485 889584106 /nfs/dbraw/zinc/58/41/06/889584106.db2.gz YSYOEIMEZCLJCL-MXWKQRLJSA-N 2 0 253.346 -0.378 20 0 CBADRP [NH3+][C@@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)C1CCCCCC1 ZINC001341419356 889593364 /nfs/dbraw/zinc/59/33/64/889593364.db2.gz XYYSKTHLOCAIEZ-GRYCIOLGSA-N 2 0 255.362 -0.267 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1=CCC[NH2+]CC1 ZINC001341453725 889597902 /nfs/dbraw/zinc/59/79/02/889597902.db2.gz ZYBJBZHCIYZFCH-ZDUSSCGKSA-N 2 0 294.399 -0.248 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])C1=O ZINC001341484314 889606496 /nfs/dbraw/zinc/60/64/96/889606496.db2.gz QZHWMFQYUWADSY-SLEUVZQESA-N 2 0 294.399 -0.477 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]1)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001341513086 889611319 /nfs/dbraw/zinc/61/13/19/889611319.db2.gz BLWFKTLGVNGINL-JOYOIKCWSA-N 2 0 252.318 -0.876 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC001341514558 889612154 /nfs/dbraw/zinc/61/21/54/889612154.db2.gz HVGYQPQXMBMBBU-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC001341530800 889618429 /nfs/dbraw/zinc/61/84/29/889618429.db2.gz YBYSZVRJEKTQGL-FOGDFJRCSA-N 2 0 257.378 -0.293 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001341547331 889619986 /nfs/dbraw/zinc/61/99/86/889619986.db2.gz MQAZHKAUTBEWLN-SDDRHHMPSA-N 2 0 252.362 -0.757 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)C[C@]1(O)CCC[NH2+]C1)C1CC1 ZINC001341572185 889622587 /nfs/dbraw/zinc/62/25/87/889622587.db2.gz YEFQUQRSNDXESR-GXTWGEPZSA-N 2 0 269.389 -0.053 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H]([NH3+])C(C)(C)O ZINC001341571524 889623641 /nfs/dbraw/zinc/62/36/41/889623641.db2.gz PTJMNYAWHDDDFR-GHMZBOCLSA-N 2 0 257.378 -0.115 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001341572410 889625775 /nfs/dbraw/zinc/62/57/75/889625775.db2.gz DSAHRXQQOSBDIC-QNWHQSFQSA-N 2 0 267.373 -0.321 20 0 CBADRP C[NH+](C)CCOc1ccccc1CNC(=O)CNCC[NH3+] ZINC001341587008 889628709 /nfs/dbraw/zinc/62/87/09/889628709.db2.gz SHKMLIZSDMBILR-UHFFFAOYSA-N 2 0 294.399 -0.209 20 0 CBADRP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001341590796 889629805 /nfs/dbraw/zinc/62/98/05/889629805.db2.gz IVSMPCFSEBDOEN-KWCYVHTRSA-N 2 0 267.373 -0.169 20 0 CBADRP [NH3+]CCCSCCC(=O)N1CC[NH2+]C[C@@H]1CO ZINC001341583687 889629828 /nfs/dbraw/zinc/62/98/28/889629828.db2.gz YUYXZFYRBSOZDY-SNVBAGLBSA-N 2 0 261.391 -0.749 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)CC2CC([NH3+])C2)C1 ZINC001341605669 889631305 /nfs/dbraw/zinc/63/13/05/889631305.db2.gz QOOVZUYEXTWMQL-MCIGGMRASA-N 2 0 255.362 -0.049 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001341638324 889636324 /nfs/dbraw/zinc/63/63/24/889636324.db2.gz QOYGQRSOTDXIST-CHWSQXEVSA-N 2 0 287.404 -0.305 20 0 CBADRP C[NH+](C)C(C)(C)CNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001341629642 889636413 /nfs/dbraw/zinc/63/64/13/889636413.db2.gz IAWAQZIFJXQTKA-CYBMUJFWSA-N 2 0 257.378 -0.053 20 0 CBADRP C[NH+]1CCC(NC(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001341632844 889637788 /nfs/dbraw/zinc/63/77/88/889637788.db2.gz WNOPRYUPNPQQJS-ZDUSSCGKSA-N 2 0 255.362 -0.299 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)[C@@H](O)C[NH2+]C ZINC001341642738 889639989 /nfs/dbraw/zinc/63/99/89/889639989.db2.gz KMUFAZXDKWMFGN-UTUOFQBUSA-N 2 0 257.378 -0.197 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001341652188 889640696 /nfs/dbraw/zinc/64/06/96/889640696.db2.gz KHWIQBHXWGQZNE-GRYCIOLGSA-N 2 0 267.373 -0.001 20 0 CBADRP O=C(NCC1=CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001341650166 889640749 /nfs/dbraw/zinc/64/07/49/889640749.db2.gz XIIUQAWVEHFYPM-OCCSQVGLSA-N 2 0 265.357 -0.352 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001341664950 889642430 /nfs/dbraw/zinc/64/24/30/889642430.db2.gz HRQDVBKLYIGKMQ-SMDDNHRTSA-N 2 0 282.388 -0.619 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001341664985 889642527 /nfs/dbraw/zinc/64/25/27/889642527.db2.gz YJWWKIKDWCOHGI-WJZNIJOASA-N 2 0 269.345 -0.537 20 0 CBADRP [NH3+][C@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C12CCC2 ZINC001341656386 889642711 /nfs/dbraw/zinc/64/27/11/889642711.db2.gz SJYDLROZPKPBIQ-RMIALFOJSA-N 2 0 265.357 -0.392 20 0 CBADRP C[NH+](C)CCCCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001341663321 889643040 /nfs/dbraw/zinc/64/30/40/889643040.db2.gz RHVPXOZTCVPNJX-GFCCVEGCSA-N 2 0 284.404 -0.358 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC[NH2+]1 ZINC001341660035 889643299 /nfs/dbraw/zinc/64/32/99/889643299.db2.gz QHHKSEXBKXLOEP-XQHKEYJVSA-N 2 0 266.389 -0.369 20 0 CBADRP C[C@@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)[NH2+]CC(N)=O ZINC001448745385 913366938 /nfs/dbraw/zinc/36/69/38/913366938.db2.gz GOLNXFSPRHFSMV-LBPRGKRZSA-N 2 0 284.404 -0.360 20 0 CBADRP [NH3+]CC1(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC(O)C1 ZINC001341690202 889648620 /nfs/dbraw/zinc/64/86/20/889648620.db2.gz VHLDMZIMVMOWCZ-ZBOXLXRLSA-N 2 0 255.362 -0.265 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC001341689869 889649163 /nfs/dbraw/zinc/64/91/63/889649163.db2.gz SAWNRYRNPRPYFH-SCRDCRAPSA-N 2 0 267.373 -0.299 20 0 CBADRP O=C(C1CC[NH2+]CC1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001341707576 889651086 /nfs/dbraw/zinc/65/10/86/889651086.db2.gz HFHYJBAFKZPTBC-UHFFFAOYSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@@H]([NH3+])C1CC1 ZINC001341734511 889653840 /nfs/dbraw/zinc/65/38/40/889653840.db2.gz VQCFTDSXTKRHLM-JLLWLGSASA-N 2 0 252.362 -0.772 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C1=CCC[NH2+]CC1 ZINC001341732600 889655130 /nfs/dbraw/zinc/65/51/30/889655130.db2.gz LRHZJADZMQVNQF-CYBMUJFWSA-N 2 0 266.389 -0.342 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[C@@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC001341731472 889655418 /nfs/dbraw/zinc/65/54/18/889655418.db2.gz GFKYWGAWUFYDJU-IJLUTSLNSA-N 2 0 254.378 -0.667 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@H]([NH3+])C1CC1 ZINC001341734510 889655426 /nfs/dbraw/zinc/65/54/26/889655426.db2.gz VQCFTDSXTKRHLM-ADEWGFFLSA-N 2 0 252.362 -0.772 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC001341748011 889658106 /nfs/dbraw/zinc/65/81/06/889658106.db2.gz LNIQULPPSSRTQV-WDEREUQCSA-N 2 0 257.378 -0.291 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001341777542 889660127 /nfs/dbraw/zinc/66/01/27/889660127.db2.gz JPEUBCZEJIQZDT-AXFHLTTASA-N 2 0 269.345 -0.523 20 0 CBADRP CCO[C@@H](CNC(=O)[C@@H]([NH3+])CCOC)C[NH+](C)C ZINC001341798380 889665353 /nfs/dbraw/zinc/66/53/53/889665353.db2.gz XJLZUTQRSNQVQW-QWRGUYRKSA-N 2 0 261.366 -0.567 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001341806949 889665380 /nfs/dbraw/zinc/66/53/80/889665380.db2.gz CQEYMKDNOFKUBE-JTQLQIEISA-N 2 0 255.362 -0.036 20 0 CBADRP CN(C(=O)C[C@@]1(O)CCC[NH2+]C1)C1(C[NH3+])CCC1 ZINC001341796429 889666325 /nfs/dbraw/zinc/66/63/25/889666325.db2.gz KLISISBCASVXIH-ZDUSSCGKSA-N 2 0 255.362 -0.169 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)NCCCCCN1CC[NH2+]CC1 ZINC001341823498 889669029 /nfs/dbraw/zinc/66/90/29/889669029.db2.gz OQONNUVVSQTCIR-AWEZNQCLSA-N 2 0 298.431 -0.443 20 0 CBADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1CCNCC[NH2+]CC1 ZINC001341842030 889672112 /nfs/dbraw/zinc/67/21/12/889672112.db2.gz YZAQVYQWIMGAOS-LLVKDONJSA-N 2 0 256.394 -0.229 20 0 CBADRP [NH3+][C@@H]1C[C@H](C(=O)N2CCC[C@]([NH3+])(CO)C2)[C@H]2C[C@H]21 ZINC001341857974 889676512 /nfs/dbraw/zinc/67/65/12/889676512.db2.gz JWPFOPRCLJXDLV-VLLVSFFDSA-N 2 0 253.346 -0.718 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CCOCC1 ZINC001341888973 889679388 /nfs/dbraw/zinc/67/93/88/889679388.db2.gz IBJQICKLCYSUEY-GMTAPVOTSA-N 2 0 255.362 -0.064 20 0 CBADRP COCC(C)(C)[NH+]1CCN(C(=O)CNCC[NH3+])CC1 ZINC001341895140 889682102 /nfs/dbraw/zinc/68/21/02/889682102.db2.gz XSMKQDSMQOGWDM-UHFFFAOYSA-N 2 0 272.393 -0.896 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC001341942737 889687263 /nfs/dbraw/zinc/68/72/63/889687263.db2.gz IPCANSJVYYTQNI-KGYLQXTDSA-N 2 0 266.389 -0.430 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001341971365 889691278 /nfs/dbraw/zinc/69/12/78/889691278.db2.gz YBKBBAXAAPVOJR-GXTWGEPZSA-N 2 0 266.389 -0.365 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001341983480 889694568 /nfs/dbraw/zinc/69/45/68/889694568.db2.gz OEGDBOAUXBOTPO-QNWHQSFQSA-N 2 0 266.389 -0.382 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC001342010536 889696913 /nfs/dbraw/zinc/69/69/13/889696913.db2.gz ITVAQLUQVLURGD-VXGBXAGGSA-N 2 0 255.362 -0.192 20 0 CBADRP COC1(C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[NH2+]CC1 ZINC001342027809 889698786 /nfs/dbraw/zinc/69/87/86/889698786.db2.gz QZZCZAIOEFTOFZ-URLYPYJESA-N 2 0 253.346 -0.569 20 0 CBADRP CCN(C(=O)[C@@H]1C[NH2+]CCN1C)C1CC[NH2+]CC1 ZINC001342087650 889709020 /nfs/dbraw/zinc/70/90/20/889709020.db2.gz NFNCIIOCMLDKFM-LBPRGKRZSA-N 2 0 254.378 -0.510 20 0 CBADRP CN(CCC[NH3+])C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001342106685 889711502 /nfs/dbraw/zinc/71/15/02/889711502.db2.gz JOZLNRFKFCQEPS-UHFFFAOYSA-N 2 0 254.334 -0.308 20 0 CBADRP O=C(N[C@H]1COC2(C[NH2+]C2)C1)C1=CCC[NH2+]CC1 ZINC001342126313 889714507 /nfs/dbraw/zinc/71/45/07/889714507.db2.gz QCMXYYKETNXYMO-LLVKDONJSA-N 2 0 251.330 -0.457 20 0 CBADRP CN(CC(=O)NC[C@H](O)C[NH3+])Cc1ccccc1 ZINC001342146097 889721171 /nfs/dbraw/zinc/72/11/71/889721171.db2.gz DYNOGPATGYHOBB-GFCCVEGCSA-N 2 0 251.330 -0.446 20 0 CBADRP O=C(NCC1(O)C[NH2+]C1)[C@H]1[NH2+]CCc2ccccc21 ZINC001342190440 889728725 /nfs/dbraw/zinc/72/87/25/889728725.db2.gz LYOZJPQAUXGWIG-LBPRGKRZSA-N 2 0 261.325 -0.676 20 0 CBADRP CCN(C(=O)[C@@H](N)CC[NH+](C)C)C1CC[NH2+]CC1 ZINC001342187089 889729230 /nfs/dbraw/zinc/72/92/30/889729230.db2.gz GLMMKZVHFGIGLI-LBPRGKRZSA-N 2 0 256.394 -0.134 20 0 CBADRP O=C(NCC1(O)C[NH2+]C1)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]12 ZINC001342192144 889729554 /nfs/dbraw/zinc/72/95/54/889729554.db2.gz ZHOLFTRMXIMQFS-SDDRHHMPSA-N 2 0 267.373 -0.395 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001342220649 889732226 /nfs/dbraw/zinc/73/22/26/889732226.db2.gz PUZJUWXEADQVBA-GFCCVEGCSA-N 2 0 285.388 -0.551 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@@H]2CCCCC[NH2+]2)=NO1 ZINC001342206508 889733195 /nfs/dbraw/zinc/73/31/95/889733195.db2.gz RXJIXMHVUKFUBN-UWVGGRQHSA-N 2 0 254.334 -0.262 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@H]2CCCCC[NH2+]2)=NO1 ZINC001342206510 889733497 /nfs/dbraw/zinc/73/34/97/889733497.db2.gz RXJIXMHVUKFUBN-ZJUUUORDSA-N 2 0 254.334 -0.262 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001342222934 889733512 /nfs/dbraw/zinc/73/35/12/889733512.db2.gz ZUEUUSABBWOGKM-WUHRBBMRSA-N 2 0 266.389 -0.369 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cn1ccnc1C ZINC001448778006 913378811 /nfs/dbraw/zinc/37/88/11/913378811.db2.gz FTFWGOYJZABYAC-GHMZBOCLSA-N 2 0 295.387 -0.237 20 0 CBADRP [NH3+]CCNCC(=O)N1CCCC[C@]12CCC[NH2+]C2 ZINC001342239524 889739289 /nfs/dbraw/zinc/73/92/89/889739289.db2.gz UBYJJDKHNXVJAR-CYBMUJFWSA-N 2 0 254.378 -0.331 20 0 CBADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001342265178 889741760 /nfs/dbraw/zinc/74/17/60/889741760.db2.gz JEIOFYLIPMSLMJ-YFKTTZPYSA-N 2 0 255.362 -0.267 20 0 CBADRP O=C([C@H]1[NH2+]CC12CCOCC2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001342272216 889745263 /nfs/dbraw/zinc/74/52/63/889745263.db2.gz KJJBVRDPUFYSQI-GRYCIOLGSA-N 2 0 265.357 -0.282 20 0 CBADRP CCN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@H]1CCC[NH2+]C1 ZINC001342274825 889745356 /nfs/dbraw/zinc/74/53/56/889745356.db2.gz APOSSECGMOJEOC-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC1(C[NH3+])CCCCC1 ZINC001342290809 889747732 /nfs/dbraw/zinc/74/77/32/889747732.db2.gz NHFJUBJOUYNZQI-MNOVXSKESA-N 2 0 257.378 -0.019 20 0 CBADRP CC[C@H](C(=O)N1NC(=O)C[C@]12CC[NH2+]C2)[NH+](C)C ZINC001342301911 889749510 /nfs/dbraw/zinc/74/95/10/889749510.db2.gz PXBNYNIRBODMAW-SKDRFNHKSA-N 2 0 254.334 -0.678 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)c1ccnc(C[NH3+])c1 ZINC001342296693 889750826 /nfs/dbraw/zinc/75/08/26/889750826.db2.gz TVQACMHPVDKRRV-LBPRGKRZSA-N 2 0 264.329 -0.399 20 0 CBADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C1(C[NH3+])CC(O)C1 ZINC001342347806 889755333 /nfs/dbraw/zinc/75/53/33/889755333.db2.gz KBONWDNGRMQSIX-MRFPXMQZSA-N 2 0 267.373 -0.219 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC001342348995 889757794 /nfs/dbraw/zinc/75/77/94/889757794.db2.gz NLHVXTVUCIUZHK-IUCAKERBSA-N 2 0 265.304 -0.730 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001342391392 889766918 /nfs/dbraw/zinc/76/69/18/889766918.db2.gz FNUSLQGXAHCAHF-RNJOBUHISA-N 2 0 269.389 -0.245 20 0 CBADRP O=C(CCC1CC[NH2+]CC1)N1CC[NH2+]C[C@H]1CO ZINC001342441758 889776413 /nfs/dbraw/zinc/77/64/13/889776413.db2.gz XYTRRDHXYKPGDK-LBPRGKRZSA-N 2 0 255.362 -0.441 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)CC[NH2+]C2CC2)CC1 ZINC001342549839 889791630 /nfs/dbraw/zinc/79/16/30/889791630.db2.gz XVKJNSWTZYYGHG-UHFFFAOYSA-N 2 0 254.378 -0.332 20 0 CBADRP C[C@@H]1[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC001342567345 889791830 /nfs/dbraw/zinc/79/18/30/889791830.db2.gz ANTLHHSRMHKWFR-MXWKQRLJSA-N 2 0 268.361 -0.937 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC001342548205 889791991 /nfs/dbraw/zinc/79/19/91/889791991.db2.gz AJCDQDOVNIZUAZ-DGCLKSJQSA-N 2 0 268.405 -0.086 20 0 CBADRP CC1(C)CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC001342570775 889795712 /nfs/dbraw/zinc/79/57/12/889795712.db2.gz ABZXTRQEYWZKRB-GWCFXTLKSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)CC[N@@H+]1C ZINC001342569293 889796467 /nfs/dbraw/zinc/79/64/67/889796467.db2.gz IQYGXKNCZSVHSQ-ZJUUUORDSA-N 2 0 266.349 -0.551 20 0 CBADRP O=C([C@H]1C[NH2+]CCC1(F)F)N1CCNCC[NH2+]CC1 ZINC001342622905 889803705 /nfs/dbraw/zinc/80/37/05/889803705.db2.gz NIWMQZDHYSHCQF-SNVBAGLBSA-N 2 0 276.331 -0.747 20 0 CBADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001342697176 889818538 /nfs/dbraw/zinc/81/85/38/889818538.db2.gz ZCILDLHYGDOCJL-RWMBFGLXSA-N 2 0 267.373 -0.204 20 0 CBADRP O=C([C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCNCC[NH2+]CC1 ZINC001342703898 889818760 /nfs/dbraw/zinc/81/87/60/889818760.db2.gz AAHWDDGRGGTIDG-QJPTWQEYSA-N 2 0 252.362 -0.852 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCOCC1 ZINC001342789698 889830096 /nfs/dbraw/zinc/83/00/96/889830096.db2.gz CATQKMOZDLMLAG-NNYUYHANSA-N 2 0 267.373 -0.193 20 0 CBADRP CN1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC[N@H+](C)CC1 ZINC001342915147 889844361 /nfs/dbraw/zinc/84/43/61/889844361.db2.gz VOUSFAFCODSXDM-QWHCGFSZSA-N 2 0 284.404 -0.944 20 0 CBADRP CN1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC[N@H+](C)CC1 ZINC001342915391 889844625 /nfs/dbraw/zinc/84/46/25/889844625.db2.gz XKKUPIIJUHCLNB-AWEZNQCLSA-N 2 0 284.404 -0.929 20 0 CBADRP CN1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC[N@H+](C)CC1 ZINC001342915142 889844685 /nfs/dbraw/zinc/84/46/85/889844685.db2.gz VOUSFAFCODSXDM-CHWSQXEVSA-N 2 0 284.404 -0.944 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001342915351 889845861 /nfs/dbraw/zinc/84/58/61/889845861.db2.gz WOXGTJHVMZLJDX-RYUDHWBXSA-N 2 0 256.394 -0.325 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001342959160 889847825 /nfs/dbraw/zinc/84/78/25/889847825.db2.gz JFGMAHFJVLGCJT-UTUOFQBUSA-N 2 0 257.378 -0.149 20 0 CBADRP [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)[C@H]1C[NH2+]CCO1 ZINC001342958261 889848410 /nfs/dbraw/zinc/84/84/10/889848410.db2.gz DGZHLLZZFWEQMB-LOWVWBTDSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)[C@H]1C[NH2+]CCO1 ZINC001342958259 889848588 /nfs/dbraw/zinc/84/85/88/889848588.db2.gz DGZHLLZZFWEQMB-DMDPSCGWSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001342975549 889851780 /nfs/dbraw/zinc/85/17/80/889851780.db2.gz BOYXAEDKRYKWDZ-DCAQKATOSA-N 2 0 268.361 -0.902 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001342994122 889852552 /nfs/dbraw/zinc/85/25/52/889852552.db2.gz LUGYUBLNTBPOLH-GFQSEFKGSA-N 2 0 269.389 -0.387 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001343031326 889857597 /nfs/dbraw/zinc/85/75/97/889857597.db2.gz GFMQPCGMVGPJDF-WCQYABFASA-N 2 0 252.362 -0.756 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001343035584 889857869 /nfs/dbraw/zinc/85/78/69/889857869.db2.gz YYDUVECMGBYABU-DGCLKSJQSA-N 2 0 254.378 -0.380 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)c1c(C[NH3+])cnn1C ZINC001343036986 889859395 /nfs/dbraw/zinc/85/93/95/889859395.db2.gz JSYDPNBZALZAFP-SNVBAGLBSA-N 2 0 253.350 -0.018 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[C@H]1CC[NH2+]C1 ZINC001343039486 889859721 /nfs/dbraw/zinc/85/97/21/889859721.db2.gz YKQBIABFPIXTRR-JHJVBQTASA-N 2 0 266.389 -0.510 20 0 CBADRP C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1CCN(C)CC1 ZINC001343072216 889863897 /nfs/dbraw/zinc/86/38/97/889863897.db2.gz RNTWTHMBNIIVNZ-FVCCEPFGSA-N 2 0 266.389 -0.369 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001343088538 889866826 /nfs/dbraw/zinc/86/68/26/889866826.db2.gz XOJBBKCXLOFNEQ-DDHJBXDOSA-N 2 0 252.362 -0.772 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001343178420 889876370 /nfs/dbraw/zinc/87/63/70/889876370.db2.gz KFEZPEXKZMJYCA-WHOHXGKFSA-N 2 0 253.346 -0.711 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001343178418 889876877 /nfs/dbraw/zinc/87/68/77/889876877.db2.gz KFEZPEXKZMJYCA-USZNOCQGSA-N 2 0 253.346 -0.711 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001343235585 889878779 /nfs/dbraw/zinc/87/87/79/889878779.db2.gz UZLUFNZPMCRGJV-LOWVWBTDSA-N 2 0 253.346 -0.377 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001343391701 889899548 /nfs/dbraw/zinc/89/95/48/889899548.db2.gz LPVMZXBHTNFKIK-WZRBSPASSA-N 2 0 255.362 -0.443 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001343394432 889900060 /nfs/dbraw/zinc/90/00/60/889900060.db2.gz ZCYLOKUYEGLBCS-DGCLKSJQSA-N 2 0 273.377 -0.816 20 0 CBADRP [NH3+]CC1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC(O)C1 ZINC001343407283 889903945 /nfs/dbraw/zinc/90/39/45/889903945.db2.gz AMRDLNBPGOONAU-CBZQXFMTSA-N 2 0 253.346 -0.561 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)C1(C[NH3+])CC(O)C1 ZINC001343438940 889909572 /nfs/dbraw/zinc/90/95/72/889909572.db2.gz KMXOABRUWAOKOD-UHFFFAOYSA-N 2 0 273.377 -0.829 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@@H]([NH3+])COC)CC1 ZINC001343454282 889911973 /nfs/dbraw/zinc/91/19/73/889911973.db2.gz UYDCYHMCMOMHRW-LBPRGKRZSA-N 2 0 272.393 -0.896 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC001343460387 889912559 /nfs/dbraw/zinc/91/25/59/889912559.db2.gz ZMRKCJLAOKSGFR-KXUCPTDWSA-N 2 0 257.334 -0.537 20 0 CBADRP C[NH+](C)C1CCN(C(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001343454201 889913024 /nfs/dbraw/zinc/91/30/24/889913024.db2.gz SDLYLWKGCUYEMI-UHFFFAOYSA-N 2 0 255.362 -0.361 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001343457657 889913516 /nfs/dbraw/zinc/91/35/16/889913516.db2.gz GFARKTDKGUKLOH-SECBINFHSA-N 2 0 254.334 -0.262 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001343457658 889913613 /nfs/dbraw/zinc/91/36/13/889913613.db2.gz GFARKTDKGUKLOH-VIFPVBQESA-N 2 0 254.334 -0.262 20 0 CBADRP C[C@@]1(C(=O)NCC2(C)CC[NH2+]CC2)C[C@@H](O)C[NH2+]1 ZINC001343466082 889915072 /nfs/dbraw/zinc/91/50/72/889915072.db2.gz CNCVSFPGYVHQKG-MFKMUULPSA-N 2 0 255.362 -0.395 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC001343474680 889915782 /nfs/dbraw/zinc/91/57/82/889915782.db2.gz XLVFXGKPVHQWRV-XQHKEYJVSA-N 2 0 267.373 -0.219 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001343486930 889918262 /nfs/dbraw/zinc/91/82/62/889918262.db2.gz ORWHGPRVZGAPAV-GXTWGEPZSA-N 2 0 266.389 -0.508 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001343504124 889925778 /nfs/dbraw/zinc/92/57/78/889925778.db2.gz FAOZELNCGBOPPL-NWDGAFQWSA-N 2 0 254.378 -0.617 20 0 CBADRP C[C@@H](NC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2)[C@H](C)[NH3+] ZINC001343506743 889926635 /nfs/dbraw/zinc/92/66/35/889926635.db2.gz TTZDEGIQMKGSHC-SBMIAAHKSA-N 2 0 254.334 -0.263 20 0 CBADRP C[C@H](NC(=O)[C@]1(C)CC[NH2+]C1)[C@H]1C[N@H+](C)CCN1C ZINC001343582906 889935321 /nfs/dbraw/zinc/93/53/21/889935321.db2.gz MLNWKQHHRIODJG-OUCADQQQSA-N 2 0 268.405 -0.264 20 0 CBADRP C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@H]1C[N@H+](C)CCN1C ZINC001343581622 889936016 /nfs/dbraw/zinc/93/60/16/889936016.db2.gz CPMIKFJCWBRHLM-RWMBFGLXSA-N 2 0 268.405 -0.264 20 0 CBADRP C[C@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])[C@H]1C[N@H+](C)CCN1C ZINC001343581786 889936599 /nfs/dbraw/zinc/93/65/99/889936599.db2.gz FMADLHMMOUVWQS-IRCOFANPSA-N 2 0 254.378 -0.668 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3=NO[C@@H](C[NH3+])C3)[C@@H]2C1 ZINC001343592898 889939287 /nfs/dbraw/zinc/93/92/87/889939287.db2.gz SLLCZEZBCXYUSF-ZDCRXTMVSA-N 2 0 266.345 -0.454 20 0 CBADRP CCN(C(=O)C[C@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC001343730528 889958323 /nfs/dbraw/zinc/95/83/23/889958323.db2.gz CELNXPDYQIEQOQ-LBPRGKRZSA-N 2 0 255.362 -0.035 20 0 CBADRP CCN(C(=O)c1cn(CC[NH3+])nn1)C1CC[NH2+]CC1 ZINC001343732117 889958943 /nfs/dbraw/zinc/95/89/43/889958943.db2.gz NZBDXEBBCPOHEO-UHFFFAOYSA-N 2 0 266.349 -0.549 20 0 CBADRP CCN(C(=O)C1=NO[C@@H](C[NH3+])C1)C1CC[NH2+]CC1 ZINC001343731384 889959663 /nfs/dbraw/zinc/95/96/63/889959663.db2.gz ILSDLJGSSFOHMK-SNVBAGLBSA-N 2 0 254.334 -0.310 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N[C@H]2C[NH2+]CC23CC3)nn1 ZINC001343733643 889959992 /nfs/dbraw/zinc/95/99/92/889959992.db2.gz WTCKWXVRKSUMJZ-NSHDSACASA-N 2 0 278.360 -0.501 20 0 CBADRP O=C(NCC[C@H]1CCC[NH2+]CC1)[C@H]1C[NH2+]CCO1 ZINC001343763756 889963473 /nfs/dbraw/zinc/96/34/73/889963473.db2.gz GNLWSVAHQULIHF-NWDGAFQWSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)NCC1(O)C[NH2+]C1 ZINC001343966182 889983018 /nfs/dbraw/zinc/98/30/18/889983018.db2.gz GAYCGBNWOFUVPB-GFCCVEGCSA-N 2 0 261.325 -0.329 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001343966859 889983892 /nfs/dbraw/zinc/98/38/92/889983892.db2.gz LTEBUXGIGQEKSY-ZDUSSCGKSA-N 2 0 268.405 -0.227 20 0 CBADRP [NH3+]CCNCC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC001344022962 889990871 /nfs/dbraw/zinc/99/08/71/889990871.db2.gz KYJDPIMFODPFIK-CYBMUJFWSA-N 2 0 278.356 -0.166 20 0 CBADRP [NH3+]C[C@@H](O)CNC(=O)c1ccc2c(c1)OCC[NH2+]C2 ZINC001344043805 889997298 /nfs/dbraw/zinc/99/72/98/889997298.db2.gz KXJANGUJEDIDHH-LLVKDONJSA-N 2 0 265.313 -0.782 20 0 CBADRP C[C@@]1(NC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC[NH2+]C1 ZINC001344092126 890004982 /nfs/dbraw/zinc/00/49/82/890004982.db2.gz HTYJXKRVYFJHBQ-GFCCVEGCSA-N 2 0 266.345 -0.247 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N[C@H]2CC[NH2+]C23CCC3)C1=O ZINC001344128046 890007114 /nfs/dbraw/zinc/00/71/14/890007114.db2.gz KWHTWNGGWAXYOG-NEPJUHHUSA-N 2 0 294.399 -0.416 20 0 CBADRP [NH3+][C@@H](CC1CC1)C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001344373384 890018373 /nfs/dbraw/zinc/01/83/73/890018373.db2.gz FHNMCXTXBNSGOM-RYUDHWBXSA-N 2 0 255.362 -0.313 20 0 CBADRP [NH3+][C@H](CC1CC1)C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001344373382 890019557 /nfs/dbraw/zinc/01/95/57/890019557.db2.gz FHNMCXTXBNSGOM-NWDGAFQWSA-N 2 0 255.362 -0.313 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001344375010 890020556 /nfs/dbraw/zinc/02/05/56/890020556.db2.gz QLQYXERSPPFUKX-BDAKNGLRSA-N 2 0 265.304 -0.458 20 0 CBADRP CCC[NH2+][C@@H](C)C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001344439239 890026596 /nfs/dbraw/zinc/02/65/96/890026596.db2.gz VXMRKQCHLXIMGJ-CABZTGNLSA-N 2 0 254.334 -0.630 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)C1CC[NH2+]CC1 ZINC001344462040 890028659 /nfs/dbraw/zinc/02/86/59/890028659.db2.gz KYZIRKSAJHAGBM-AAEUAGOBSA-N 2 0 296.415 -0.312 20 0 CBADRP CC1CC[NH+](CC(=O)N2CC[NH2+]C[C@@H]2CO)CC1 ZINC001344517556 890032991 /nfs/dbraw/zinc/03/29/91/890032991.db2.gz LQZQVADQXNEIRE-GFCCVEGCSA-N 2 0 255.362 -0.489 20 0 CBADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]C[C@H]1CO ZINC001344519486 890035742 /nfs/dbraw/zinc/03/57/42/890035742.db2.gz UIXLTVJXIBEKAL-WVMKXHBISA-N 2 0 267.373 -0.300 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCC(C)(C)[NH3+] ZINC001344548244 890040678 /nfs/dbraw/zinc/04/06/78/890040678.db2.gz MRZZORIOLHCULV-GHMZBOCLSA-N 2 0 254.378 -0.382 20 0 CBADRP COC[C@]1(C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC[NH2+]C1 ZINC001344766946 890060219 /nfs/dbraw/zinc/06/02/19/890060219.db2.gz SWEQUWMGURFLGA-GWCFXTLKSA-N 2 0 255.362 -0.192 20 0 CBADRP COC[C@@]1(C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC[NH2+]C1 ZINC001344766952 890062169 /nfs/dbraw/zinc/06/21/69/890062169.db2.gz SWEQUWMGURFLGA-ZWNOBZJWSA-N 2 0 255.362 -0.192 20 0 CBADRP [NH3+]CCNCC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001344778094 890065432 /nfs/dbraw/zinc/06/54/32/890065432.db2.gz PKMQXRZWRGINNG-GHMZBOCLSA-N 2 0 272.418 -0.769 20 0 CBADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)N1CCNCC[NH2+]CC1 ZINC001344963341 890087908 /nfs/dbraw/zinc/08/79/08/890087908.db2.gz OTKMOGQTVPLQHG-VXGBXAGGSA-N 2 0 256.394 -0.229 20 0 CBADRP [NH3+]C1(CNC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC001345296312 890119191 /nfs/dbraw/zinc/11/91/91/890119191.db2.gz YQMKOBTZEPGMJA-UHFFFAOYSA-N 2 0 263.345 -0.431 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C3=NO[C@H](C[NH3+])C3)C[C@]2(C)C1 ZINC001345390350 890123769 /nfs/dbraw/zinc/12/37/69/890123769.db2.gz BPTGLTPDFLPZLI-NRUUGDAUSA-N 2 0 266.345 -0.500 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001345380277 890125188 /nfs/dbraw/zinc/12/51/88/890125188.db2.gz HGTINMFMNVDVIN-GXFFZTMASA-N 2 0 255.362 -0.395 20 0 CBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@]12C[NH2+]C[C@H]1COC2 ZINC001345512887 890137566 /nfs/dbraw/zinc/13/75/66/890137566.db2.gz GPTFMGJKPYTFCP-UGCHFJIKSA-N 2 0 251.330 -0.769 20 0 CBADRP CN(C(=O)c1cn(CCC[NH3+])nn1)C1(C[NH3+])CCC1 ZINC001345596367 890142816 /nfs/dbraw/zinc/14/28/16/890142816.db2.gz DDLLXVJWTOEKOP-UHFFFAOYSA-N 2 0 266.349 -0.420 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC001345810873 890167686 /nfs/dbraw/zinc/16/76/86/890167686.db2.gz TXTWVWNLMCTWAJ-SNVBAGLBSA-N 2 0 268.365 -0.398 20 0 CBADRP [NH3+]CC(=O)NCC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001345793009 890167829 /nfs/dbraw/zinc/16/78/29/890167829.db2.gz QPMKBZILKSYQDI-UHFFFAOYSA-N 2 0 268.361 -0.948 20 0 CBADRP CC1([NH3+])CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC001345844521 890173037 /nfs/dbraw/zinc/17/30/37/890173037.db2.gz FYYDJFIWTPGHRY-SNVBAGLBSA-N 2 0 268.361 -0.806 20 0 CBADRP CC[C@@]1(C(=O)N2CCC(O)(C[NH3+])CC2)CC[NH2+]C1 ZINC001345904535 890178116 /nfs/dbraw/zinc/17/81/16/890178116.db2.gz PRZBIOYZRPJPCL-GFCCVEGCSA-N 2 0 255.362 -0.312 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(Cc2nc(C(C)(C)[NH3+])no2)CCO1 ZINC001346016997 890195611 /nfs/dbraw/zinc/19/56/11/890195611.db2.gz HTIMJGYETFDOMN-BDAKNGLRSA-N 2 0 269.349 -0.189 20 0 CBADRP CC1(NC(=O)c2cn(CCCC[NH3+])nn2)CC[NH2+]CC1 ZINC001346046316 890204983 /nfs/dbraw/zinc/20/49/83/890204983.db2.gz HLIWKPPTAREBDD-UHFFFAOYSA-N 2 0 280.376 -0.111 20 0 CBADRP CC(C)[NH2+]CC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001346228476 890243793 /nfs/dbraw/zinc/24/37/93/890243793.db2.gz JEQJCABBFISJNS-RYUDHWBXSA-N 2 0 256.394 -0.265 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH+](C)C1CC1 ZINC001346309685 890263888 /nfs/dbraw/zinc/26/38/88/890263888.db2.gz ZPWRTFDTLJHFML-DGCLKSJQSA-N 2 0 266.389 -0.415 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCC([NH+](C)C)CC1 ZINC001346319346 890268138 /nfs/dbraw/zinc/26/81/38/890268138.db2.gz KIUCGPWUFRDLOV-GFCCVEGCSA-N 2 0 256.394 -0.182 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCNCC[NH2+]CC1 ZINC001346390602 890280962 /nfs/dbraw/zinc/28/09/62/890280962.db2.gz JAMFWZUULZJSQR-OCCSQVGLSA-N 2 0 295.431 -0.327 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001448866164 913435843 /nfs/dbraw/zinc/43/58/43/913435843.db2.gz QSATVQRRBHFYNY-VXGBXAGGSA-N 2 0 285.388 -0.938 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001346488568 890303399 /nfs/dbraw/zinc/30/33/99/890303399.db2.gz CDFLTJMGCNZJPO-HDJSIYSDSA-N 2 0 297.447 -0.044 20 0 CBADRP CCO[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])C[NH+](C)C ZINC001346491881 890305079 /nfs/dbraw/zinc/30/50/79/890305079.db2.gz YUMIWDOKCRUSBW-GMTAPVOTSA-N 2 0 260.382 -0.012 20 0 CBADRP CCO[C@@H](CNC(=O)N[C@H]1CC[NH2+]C1)C[NH+](C)C ZINC001346502010 890307398 /nfs/dbraw/zinc/30/73/98/890307398.db2.gz RSFCJWAKNJUCCH-QWRGUYRKSA-N 2 0 258.366 -0.386 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC(C)(C)C[NH+](C)C ZINC001347033776 890389710 /nfs/dbraw/zinc/38/97/10/890389710.db2.gz CEWXRCRRKUDYEP-RYUDHWBXSA-N 2 0 268.405 -0.169 20 0 CBADRP [NH3+]CCn1cc(C(=O)NCCC2CC[NH2+]CC2)nn1 ZINC001347061687 890396306 /nfs/dbraw/zinc/39/63/06/890396306.db2.gz RKXSBNSYRBGTJT-UHFFFAOYSA-N 2 0 266.349 -0.644 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)CC1C[NH+](C)C1 ZINC001347109231 890409653 /nfs/dbraw/zinc/40/96/53/890409653.db2.gz LTVCKDGACJHBDQ-AAEUAGOBSA-N 2 0 266.389 -0.605 20 0 CBADRP C([C@H]1C[NH2+]CCO1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001347145863 890414557 /nfs/dbraw/zinc/41/45/57/890414557.db2.gz QPAQDANGUSHEAM-ZIAGYGMSSA-N 2 0 269.389 -0.371 20 0 CBADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC001347282873 890438726 /nfs/dbraw/zinc/43/87/26/890438726.db2.gz OQLLFHSQYYBGTN-SRVKXCTJSA-N 2 0 293.433 -0.390 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@@H]1CCC[NH+]1C ZINC001347361487 890453288 /nfs/dbraw/zinc/45/32/88/890453288.db2.gz HAVCGDSYTGRITF-RWMBFGLXSA-N 2 0 266.389 -0.415 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@@H]1CCC[NH+]1C ZINC001347361485 890453472 /nfs/dbraw/zinc/45/34/72/890453472.db2.gz HAVCGDSYTGRITF-AVGNSLFASA-N 2 0 266.389 -0.415 20 0 CBADRP C[C@H](O)C[NH2+][C@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001448912112 913456180 /nfs/dbraw/zinc/45/61/80/913456180.db2.gz TZEWNTMGAXXBFH-RYUDHWBXSA-N 2 0 289.420 -0.588 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001348447127 890627307 /nfs/dbraw/zinc/62/73/07/890627307.db2.gz MIUYLIQCIPJKMS-GHMZBOCLSA-N 2 0 270.377 -0.798 20 0 CBADRP CN(CCOCC[NH3+])Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001348448004 890627612 /nfs/dbraw/zinc/62/76/12/890627612.db2.gz ULMCGNURZQCNEP-UHFFFAOYSA-N 2 0 280.332 -0.524 20 0 CBADRP Cn1cncc1C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001448959491 913471774 /nfs/dbraw/zinc/47/17/74/913471774.db2.gz VPNABMDULFDBNR-GFCCVEGCSA-N 2 0 295.387 -0.917 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001348595035 890658655 /nfs/dbraw/zinc/65/86/55/890658655.db2.gz HBFUQVJPNKMYME-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001348964538 890737881 /nfs/dbraw/zinc/73/78/81/890737881.db2.gz AOBCBMONRMYMTN-CYBMUJFWSA-N 2 0 257.378 -0.147 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NC2CC[NH2+]CC2)nn1 ZINC001349136339 890764750 /nfs/dbraw/zinc/76/47/50/890764750.db2.gz CDRMRMIFGIBMEJ-UHFFFAOYSA-N 2 0 252.322 -0.891 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N[C@H]1CC12CC[NH2+]CC2 ZINC001349227833 890780823 /nfs/dbraw/zinc/78/08/23/890780823.db2.gz MGXKOCZAMARVMA-MNOVXSKESA-N 2 0 253.346 -0.377 20 0 CBADRP CC[NH2+]CC1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1 ZINC001349389310 890805854 /nfs/dbraw/zinc/80/58/54/890805854.db2.gz KRZHOEVCYRVYAT-UHFFFAOYSA-N 3 0 268.405 -0.260 20 0 CBADRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC001349399110 890807589 /nfs/dbraw/zinc/80/75/89/890807589.db2.gz WEYUTZWQEFAGSN-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)nn1 ZINC001349399170 890807723 /nfs/dbraw/zinc/80/77/23/890807723.db2.gz YUIHCGOFOZBYLY-YPMHNXCESA-N 3 0 264.377 -0.017 20 0 CBADRP [NH3+]Cc1cc(C(=O)NC[C@H]2C[NH2+]CCCO2)ccn1 ZINC001349403551 890809127 /nfs/dbraw/zinc/80/91/27/890809127.db2.gz LVMRIHPRDUWNTQ-GFCCVEGCSA-N 2 0 264.329 -0.351 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC1=CC[NH+](C)CC1 ZINC001349403157 890809993 /nfs/dbraw/zinc/80/99/93/890809993.db2.gz GTSGARREIABXCH-TZMCWYRMSA-N 2 0 278.400 -0.247 20 0 CBADRP O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CCOC2(C[NH2+]C2)C1 ZINC001349608107 890849419 /nfs/dbraw/zinc/84/94/19/890849419.db2.gz IAFMXMKCBAKJHM-AAOUONPWSA-N 2 0 265.357 -0.257 20 0 CBADRP CN(CCOCC[NH3+])C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001349612979 890849521 /nfs/dbraw/zinc/84/95/21/890849521.db2.gz XMHMOEUCOOVPLO-LLVKDONJSA-N 2 0 296.375 -0.750 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001349809085 890894018 /nfs/dbraw/zinc/89/40/18/890894018.db2.gz WEYXXDARPRRXFK-NSHDSACASA-N 2 0 272.393 -0.312 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001349808800 890895961 /nfs/dbraw/zinc/89/59/61/890895961.db2.gz RAPUTEGUJNTPHU-GARJFASQSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@]1(C(=O)NCc2cc(N)cc[nH+]2)C[NH2+]CCO1 ZINC001349908141 890911796 /nfs/dbraw/zinc/91/17/96/890911796.db2.gz IBTPLNOYCMVNDQ-GFCCVEGCSA-N 2 0 250.302 -0.342 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001350045518 890929102 /nfs/dbraw/zinc/92/91/02/890929102.db2.gz KLHGPQHITOYJQG-SRVKXCTJSA-N 2 0 282.388 -0.560 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001449101866 913506133 /nfs/dbraw/zinc/50/61/33/913506133.db2.gz YNPNFHUALUHIEF-NSHDSACASA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001350397560 890977527 /nfs/dbraw/zinc/97/75/27/890977527.db2.gz IQRRRQMGYCPLQR-MRVPVSSYSA-N 2 0 252.322 -0.720 20 0 CBADRP CN(C(=O)[C@@H]1CCO[C@@H]1C[NH3+])C1CC[NH+](C)CC1 ZINC001350405291 890978697 /nfs/dbraw/zinc/97/86/97/890978697.db2.gz NNOCPNXMJWBGLA-VXGBXAGGSA-N 2 0 255.362 -0.097 20 0 CBADRP [NH3+]CCCCCCN1CC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001350911059 891068787 /nfs/dbraw/zinc/06/87/87/891068787.db2.gz UXQMZKSBAHMKBV-NEPJUHHUSA-N 2 0 275.418 -0.424 20 0 CBADRP C[NH+](C)CCOCC[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC001350965097 891079277 /nfs/dbraw/zinc/07/92/77/891079277.db2.gz MZGWVWJENCUVJP-GFCCVEGCSA-N 2 0 285.388 -0.551 20 0 CBADRP CN1CC[C@@H]1CNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC001351133274 891108719 /nfs/dbraw/zinc/10/87/19/891108719.db2.gz OEGINTPPVHBSRJ-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP CS(=O)(=O)N1CCC([NH2+]CCOCCC[NH3+])CC1 ZINC001351665773 891170106 /nfs/dbraw/zinc/17/01/06/891170106.db2.gz GOEHDWZMBVMBMV-UHFFFAOYSA-N 2 0 279.406 -0.635 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)CCC[NH+](C)C ZINC001351731685 891177804 /nfs/dbraw/zinc/17/78/04/891177804.db2.gz NDNNGORECGWPLF-OLZOCXBDSA-N 2 0 268.405 -0.215 20 0 CBADRP C[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH]cn1 ZINC001449203232 913541784 /nfs/dbraw/zinc/54/17/84/913541784.db2.gz XXKRYZAOYRPDLP-WCQYABFASA-N 2 0 298.387 -0.526 20 0 CBADRP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC001352839570 891304362 /nfs/dbraw/zinc/30/43/62/891304362.db2.gz OWYUGMKWMYTHIA-SDDRHHMPSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+][C@H](Cc1ccccn1)C(=O)NCCCN1CC[NH2+]CC1 ZINC001352976179 891334903 /nfs/dbraw/zinc/33/49/03/891334903.db2.gz GNQKCKIPRPALNT-CQSZACIVSA-N 2 0 291.399 -0.637 20 0 CBADRP C[C@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)C[C@H](C)[NH2+]1 ZINC001353005674 891341872 /nfs/dbraw/zinc/34/18/72/891341872.db2.gz VRAIKNUGNUDCRJ-RYUDHWBXSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC001353049471 891349473 /nfs/dbraw/zinc/34/94/73/891349473.db2.gz ZQQRGNNTAJIBBI-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC001353200522 891381622 /nfs/dbraw/zinc/38/16/22/891381622.db2.gz CGCKAESNQYSLSD-ZDUSSCGKSA-N 2 0 284.404 -0.754 20 0 CBADRP CCN(C(=O)C(=O)NCC[N@H+](C)C1CC1)[C@@H]1CC[NH2+]C1 ZINC001353274921 891391879 /nfs/dbraw/zinc/39/18/79/891391879.db2.gz ADCKKVCUDCEHMD-GFCCVEGCSA-N 2 0 282.388 -0.593 20 0 CBADRP C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC001353271542 891392136 /nfs/dbraw/zinc/39/21/36/891392136.db2.gz BSLACEAFJLNBMR-KBPBESRZSA-N 3 0 270.421 -0.864 20 0 CBADRP C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC001353271550 891393522 /nfs/dbraw/zinc/39/35/22/891393522.db2.gz BSLACEAFJLNBMR-ZIAGYGMSSA-N 3 0 270.421 -0.864 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC[C@@H]21 ZINC001353325384 891404915 /nfs/dbraw/zinc/40/49/15/891404915.db2.gz XINJRWFNCRCOOM-LPWJVIDDSA-N 2 0 294.399 -0.608 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC[C@H]21 ZINC001353325390 891405363 /nfs/dbraw/zinc/40/53/63/891405363.db2.gz XINJRWFNCRCOOM-ZDEQEGDKSA-N 2 0 294.399 -0.608 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC[C@@H]21 ZINC001353325374 891405518 /nfs/dbraw/zinc/40/55/18/891405518.db2.gz XINJRWFNCRCOOM-CYDGBPFRSA-N 2 0 294.399 -0.608 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N1CC[C@H](CC[NH3+])C1 ZINC001353391186 891419220 /nfs/dbraw/zinc/41/92/20/891419220.db2.gz SIYMRXLOLHHQFP-LBPRGKRZSA-N 2 0 272.393 -0.055 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)N1CCNCC[NH2+]CC1 ZINC001353417324 891422374 /nfs/dbraw/zinc/42/23/74/891422374.db2.gz WPFXKRCKSBUTOR-UHFFFAOYSA-N 2 0 269.393 -0.810 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CCC[C@]12CC[NH2+]C2 ZINC001353430406 891424633 /nfs/dbraw/zinc/42/46/33/891424633.db2.gz PSABMAMFUZGJOO-WCQYABFASA-N 2 0 268.361 -0.488 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC001353441609 891427568 /nfs/dbraw/zinc/42/75/68/891427568.db2.gz JAUOXOOOZKSAPO-MNOVXSKESA-N 2 0 256.350 -0.645 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC001353441611 891427743 /nfs/dbraw/zinc/42/77/43/891427743.db2.gz JAUOXOOOZKSAPO-QWRGUYRKSA-N 2 0 256.350 -0.645 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC001353457487 891427810 /nfs/dbraw/zinc/42/78/10/891427810.db2.gz QYVJMYBLELIHAM-GWOFURMSSA-N 2 0 256.350 -0.648 20 0 CBADRP CCO[C@@H](CNC(=O)NCC[C@H](C)[NH3+])C[NH+](C)C ZINC001353441844 891428257 /nfs/dbraw/zinc/42/82/57/891428257.db2.gz JPJIGZULHCVRBR-QWRGUYRKSA-N 2 0 260.382 -0.010 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001353441000 891428587 /nfs/dbraw/zinc/42/85/87/891428587.db2.gz CDBKGSLQZNENLL-CYBMUJFWSA-N 2 0 270.377 -0.240 20 0 CBADRP C[C@H](O)CN1CCN(C(=O)NCC2([NH3+])CC2)CC1 ZINC001353502653 891436150 /nfs/dbraw/zinc/43/61/50/891436150.db2.gz VJECRBFGESACLP-JTQLQIEISA-N 2 0 256.350 -0.814 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001353527827 891440333 /nfs/dbraw/zinc/44/03/33/891440333.db2.gz YIASKESRZJQIAD-ZBOXLXRLSA-N 2 0 255.362 -0.361 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001353601969 891450147 /nfs/dbraw/zinc/45/01/47/891450147.db2.gz FMVHXLZHFFGHQL-NWDGAFQWSA-N 2 0 269.389 -0.195 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001353601970 891450492 /nfs/dbraw/zinc/45/04/92/891450492.db2.gz FMVHXLZHFFGHQL-RYUDHWBXSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@H](C[NH3+])NC(=O)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC001353613566 891452554 /nfs/dbraw/zinc/45/25/54/891452554.db2.gz PMJDOKKQGWYRJO-DDHJBXDOSA-N 2 0 255.362 -0.003 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001353635357 891455301 /nfs/dbraw/zinc/45/53/01/891455301.db2.gz XXHZTUGWOWRVLR-CQSZACIVSA-N 2 0 269.389 -0.112 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001353655544 891456966 /nfs/dbraw/zinc/45/69/66/891456966.db2.gz QJTVSHGDUORZDL-RWMBFGLXSA-N 2 0 269.389 -0.066 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001353750099 891470742 /nfs/dbraw/zinc/47/07/42/891470742.db2.gz XPAQTIMJBAOSTL-ZDUSSCGKSA-N 2 0 298.431 -0.016 20 0 CBADRP CC(C)([NH3+])CC[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC001353944371 891490874 /nfs/dbraw/zinc/49/08/74/891490874.db2.gz UIMBTQIMNIEJPC-NSHDSACASA-N 3 0 256.394 -0.099 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCn2cncc2C1 ZINC001354018578 891498699 /nfs/dbraw/zinc/49/86/99/891498699.db2.gz HPZFKWXRKCVFGM-WCQYABFASA-N 2 0 264.329 -0.320 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCC[NH2+]C1CC1 ZINC001354131678 891520957 /nfs/dbraw/zinc/52/09/57/891520957.db2.gz MMGBQYFZFICIJR-AAEUAGOBSA-N 2 0 266.389 -0.367 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)[C@@H]([NH3+])C(C)(C)O)cn1 ZINC001354132388 891521632 /nfs/dbraw/zinc/52/16/32/891521632.db2.gz UEUXJGSUAVPNMG-SNVBAGLBSA-N 2 0 269.349 -0.519 20 0 CBADRP [NH3+]CC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC(O)C1 ZINC001354181196 891530013 /nfs/dbraw/zinc/53/00/13/891530013.db2.gz WJORNYMWDMVFNO-AKXGODRKSA-N 2 0 267.373 -0.326 20 0 CBADRP [NH3+]CCC1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001354190393 891530189 /nfs/dbraw/zinc/53/01/89/891530189.db2.gz GUXHKTQZARIMSE-CYBMUJFWSA-N 2 0 296.415 -0.229 20 0 CBADRP [NH3+][C@H](CO)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001354271324 891554337 /nfs/dbraw/zinc/55/43/37/891554337.db2.gz CFNDJEYNPCIYCG-JHJVBQTASA-N 2 0 263.341 -0.432 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001354409162 891576503 /nfs/dbraw/zinc/57/65/03/891576503.db2.gz CGDGIHIBMFRJHI-VXGBXAGGSA-N 2 0 255.362 -0.036 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC001354461411 891583961 /nfs/dbraw/zinc/58/39/61/891583961.db2.gz HGUFEGXVMXLVDD-LOWVWBTDSA-N 2 0 255.362 -0.585 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001354487729 891587093 /nfs/dbraw/zinc/58/70/93/891587093.db2.gz PMDAZRPUZVTEML-LOWVWBTDSA-N 2 0 253.346 -0.546 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001354524324 891589030 /nfs/dbraw/zinc/58/90/30/891589030.db2.gz VMEZXYCAXIGHTI-FRRDWIJNSA-N 2 0 266.389 -0.557 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N[C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C ZINC001354594594 891599329 /nfs/dbraw/zinc/59/93/29/891599329.db2.gz SKCQBDSVIVBPJB-GWOFURMSSA-N 2 0 269.389 -0.023 20 0 CBADRP CC[C@H](CN1CCOCC1)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC001354853880 891625394 /nfs/dbraw/zinc/62/53/94/891625394.db2.gz IRUGBRQPJNCQQP-IJLUTSLNSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1[C@H](C)C[NH2+][C@@H](C)[C@@H]1C ZINC001354892008 891627089 /nfs/dbraw/zinc/62/70/89/891627089.db2.gz FFCDJEITWNVHPT-DGORSVRFSA-N 2 0 257.378 -0.200 20 0 CBADRP CCC[NH2+][C@@H](C)C(=O)N1NC(=O)CC12CC[NH2+]CC2 ZINC001354917204 891628716 /nfs/dbraw/zinc/62/87/16/891628716.db2.gz NUVSOIVHQMOZFR-JTQLQIEISA-N 2 0 268.361 -0.240 20 0 CBADRP O=C(NCCCCCN1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC001354981203 891632905 /nfs/dbraw/zinc/63/29/05/891632905.db2.gz USABXZDFTRXVTE-CYBMUJFWSA-N 2 0 268.405 -0.070 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NCCCCCN2CC[NH2+]CC2)=NO1 ZINC001354968684 891634034 /nfs/dbraw/zinc/63/40/34/891634034.db2.gz CPVBVPXQWJWUDH-LBPRGKRZSA-N 2 0 297.403 -0.718 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001354958887 891634228 /nfs/dbraw/zinc/63/42/28/891634228.db2.gz SANGUYZVUYWULC-OUCADQQQSA-N 2 0 266.389 -0.462 20 0 CBADRP O=C(C1CC[NH+](C2CC2)CC1)N1CCNCC[NH2+]CC1 ZINC001355016422 891637102 /nfs/dbraw/zinc/63/71/02/891637102.db2.gz PQTVRTCKLQMRKX-UHFFFAOYSA-N 2 0 280.416 -0.118 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CCNCC[NH2+]CC2)CC[N@@H+]1C ZINC001355015885 891637842 /nfs/dbraw/zinc/63/78/42/891637842.db2.gz KFFDSXWJCQNTLF-QWHCGFSZSA-N 2 0 268.405 -0.262 20 0 CBADRP O=C([C@H]1[NH2+]CCc2ccccc21)N1CCNCC[NH2+]CC1 ZINC001355027505 891638046 /nfs/dbraw/zinc/63/80/46/891638046.db2.gz HNAZUCDNTNPXBG-HNNXBMFYSA-N 2 0 288.395 -0.105 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCC[C@@]([NH3+])(CO)C1)c1ccccc1 ZINC001355042781 891640107 /nfs/dbraw/zinc/64/01/07/891640107.db2.gz LFMJJSUQDICQDD-OCCSQVGLSA-N 2 0 263.341 -0.001 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001355086576 891644725 /nfs/dbraw/zinc/64/47/25/891644725.db2.gz OEZDQZYDNIRURO-USZNOCQGSA-N 2 0 253.346 -0.582 20 0 CBADRP [NH3+]C[C@@H](O)CCc1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC001355401727 891674423 /nfs/dbraw/zinc/67/44/23/891674423.db2.gz FNTGWZJIOWNBOS-YPMHNXCESA-N 2 0 267.377 -0.080 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001355464025 891681557 /nfs/dbraw/zinc/68/15/57/891681557.db2.gz NBOBOALAPPZDRJ-GFCCVEGCSA-N 2 0 268.405 -0.086 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001355488170 891684680 /nfs/dbraw/zinc/68/46/80/891684680.db2.gz LPZMXIGUAWGUHV-MVWJERBFSA-N 2 0 253.346 -0.236 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001355520863 891687107 /nfs/dbraw/zinc/68/71/07/891687107.db2.gz QDERZKIFDKYRLS-NEPJUHHUSA-N 2 0 254.378 -0.462 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C[NH2+]CC1CC1 ZINC001355558490 891690222 /nfs/dbraw/zinc/69/02/22/891690222.db2.gz IYTTXDCRUWJLSL-LBPRGKRZSA-N 2 0 255.362 -0.177 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC001355652301 891699067 /nfs/dbraw/zinc/69/90/67/891699067.db2.gz RDDJJYGGCHUJQA-OUAUKWLOSA-N 2 0 259.325 -0.619 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001355817787 891707480 /nfs/dbraw/zinc/70/74/80/891707480.db2.gz DPTQFSSPHISFAH-NEPJUHHUSA-N 2 0 256.394 -0.134 20 0 CBADRP NOCCC[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC001356083396 891726328 /nfs/dbraw/zinc/72/63/28/891726328.db2.gz OLCOGTWBRHKBID-JTQLQIEISA-N 2 0 254.338 -0.427 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001356092368 891726625 /nfs/dbraw/zinc/72/66/25/891726625.db2.gz RXGLQQHONQQVIN-RWMBFGLXSA-N 2 0 296.415 -0.408 20 0 CBADRP C[C@]1(C(=O)NC2CC3(CC([NH3+])C3)C2)C[NH2+]CCO1 ZINC001356177518 891734318 /nfs/dbraw/zinc/73/43/18/891734318.db2.gz XVWPTKVGQSZFMY-NMSVWBJWSA-N 2 0 253.346 -0.249 20 0 CBADRP [NH3+]CCOCC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001356226747 891741054 /nfs/dbraw/zinc/74/10/54/891741054.db2.gz BXYAXSJLRVZGOM-VXGBXAGGSA-N 2 0 271.361 -0.981 20 0 CBADRP [NH3+]C1(CC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC001356228491 891741389 /nfs/dbraw/zinc/74/13/89/891741389.db2.gz RYTGSXCGWFAXEO-NWDGAFQWSA-N 2 0 267.373 -0.075 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001356412013 891757969 /nfs/dbraw/zinc/75/79/69/891757969.db2.gz DUJXVDJFQBYECS-NOOOWODRSA-N 2 0 255.362 -0.193 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)N[C@@H]1C[NH2+]CC12CC2 ZINC001356473441 891769073 /nfs/dbraw/zinc/76/90/73/891769073.db2.gz VANCIZOOPUZPAX-VHSXEESVSA-N 2 0 255.387 -0.050 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001356499465 891774296 /nfs/dbraw/zinc/77/42/96/891774296.db2.gz RAYCLEZNRRFSNC-WCQYABFASA-N 2 0 255.362 -0.441 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001356498746 891774537 /nfs/dbraw/zinc/77/45/37/891774537.db2.gz HNEVTWLHQZJVJJ-MNOVXSKESA-N 2 0 270.377 -0.845 20 0 CBADRP CON(C)C(=O)CC[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC001356583056 891779566 /nfs/dbraw/zinc/77/95/66/891779566.db2.gz IPOAOCJNMPFQSR-GFCCVEGCSA-N 2 0 272.393 -0.378 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCNCC[NH2+]CC1 ZINC001356597993 891782634 /nfs/dbraw/zinc/78/26/34/891782634.db2.gz XACFZEXGVHEECW-GFCCVEGCSA-N 2 0 271.409 -0.469 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001357346148 891871284 /nfs/dbraw/zinc/87/12/84/891871284.db2.gz HNGWZCDQQLNUGI-MFKMUULPSA-N 2 0 269.389 -0.054 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001357362305 891873988 /nfs/dbraw/zinc/87/39/88/891873988.db2.gz QBYRENAOOBLAKN-LOWDOPEQSA-N 2 0 269.389 -0.054 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001357369667 891878265 /nfs/dbraw/zinc/87/82/65/891878265.db2.gz ZJHVYEAJUQESJL-GARJFASQSA-N 2 0 255.362 -0.172 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001357374481 891879780 /nfs/dbraw/zinc/87/97/80/891879780.db2.gz CJBSUMDNEIRVEX-BZPMIXESSA-N 2 0 269.389 -0.054 20 0 CBADRP C[NH+]1CCC(CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001357385710 891881124 /nfs/dbraw/zinc/88/11/24/891881124.db2.gz YTSZFAJQYQMICZ-CYBMUJFWSA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@H](CNC(=O)CNCC[NH3+])[NH+]1CCC(C)CC1 ZINC001357384894 891883463 /nfs/dbraw/zinc/88/34/63/891883463.db2.gz QGWWNUKETRXYNB-GFCCVEGCSA-N 2 0 256.394 -0.229 20 0 CBADRP [NH3+]Cc1nc(CC(=O)NC[C@H]([NH3+])C2CC2)cs1 ZINC001357443788 891892383 /nfs/dbraw/zinc/89/23/83/891892383.db2.gz LMAVADHFEYNCIJ-VIFPVBQESA-N 2 0 254.359 -0.002 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC001357453058 891893612 /nfs/dbraw/zinc/89/36/12/891893612.db2.gz LHWPDAGIMHQDNL-VHSXEESVSA-N 2 0 257.334 -0.475 20 0 CBADRP CC[NH2+]CCCNC(=O)N1CC[NH2+]C[C@@H]1COC ZINC001357436169 891894079 /nfs/dbraw/zinc/89/40/79/891894079.db2.gz RTZSXFRQILFDHF-LLVKDONJSA-N 2 0 258.366 -0.384 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC001357465427 891896849 /nfs/dbraw/zinc/89/68/49/891896849.db2.gz ZTTVWRQEDAMBRN-TUAOUCFPSA-N 2 0 257.378 -0.210 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC001357457416 891898297 /nfs/dbraw/zinc/89/82/97/891898297.db2.gz JEXURISTIXVKFE-OPRDCNLKSA-N 2 0 257.334 -0.524 20 0 CBADRP COC[C@H]([NH3+])C(=O)NCC1(COC)CC[NH2+]CC1 ZINC001357465056 891898760 /nfs/dbraw/zinc/89/87/60/891898760.db2.gz VNDGEVKVBVYQJJ-JTQLQIEISA-N 2 0 259.350 -0.908 20 0 CBADRP COCC[NH2+]CCNC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001357464800 891899062 /nfs/dbraw/zinc/89/90/62/891899062.db2.gz XPPBATCMRKJCQV-UHFFFAOYSA-N 2 0 288.392 -0.628 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001357472381 891900666 /nfs/dbraw/zinc/90/06/66/891900666.db2.gz OSHCJGALHUMYOI-JBLDHEPKSA-N 2 0 259.325 -0.693 20 0 CBADRP O=C(NCCC[C@H]1CCC[NH2+]1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001357474896 891903273 /nfs/dbraw/zinc/90/32/73/891903273.db2.gz SAHDLYNPKOWLSM-NWDGAFQWSA-N 2 0 294.399 -0.545 20 0 CBADRP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001357474894 891904242 /nfs/dbraw/zinc/90/42/42/891904242.db2.gz SAHDLYNPKOWLSM-NEPJUHHUSA-N 2 0 294.399 -0.545 20 0 CBADRP C[C@@]1(C(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@@H](O)C[NH2+]1 ZINC001357475036 891904346 /nfs/dbraw/zinc/90/43/46/891904346.db2.gz SICWUVUCDFKQOA-YPMHNXCESA-N 2 0 267.373 -0.299 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC001357474926 891905049 /nfs/dbraw/zinc/90/50/49/891905049.db2.gz SDFHRLUKHSYDLZ-NWDGAFQWSA-N 2 0 254.378 -0.462 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)N2CCNCC[NH2+]CC2)C[NH2+]1 ZINC001357532426 891909240 /nfs/dbraw/zinc/90/92/40/891909240.db2.gz LVSMQOSLWDMAFL-NEPJUHHUSA-N 2 0 269.393 -0.669 20 0 CBADRP CCO[C@H](CNC(=O)NCC1([NH3+])CC1)C[NH+](C)C ZINC001357591209 891915799 /nfs/dbraw/zinc/91/57/99/891915799.db2.gz RATDKTWZOPPTHY-SNVBAGLBSA-N 2 0 258.366 -0.256 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC001357642730 891922341 /nfs/dbraw/zinc/92/23/41/891922341.db2.gz IMTGCBVFXAMIEP-KKOKHZNYSA-N 2 0 266.389 -0.383 20 0 CBADRP [NH3+]CCCCCCNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001357678626 891927341 /nfs/dbraw/zinc/92/73/41/891927341.db2.gz KDYBYEQBUPQNLV-LLVKDONJSA-N 2 0 282.388 -0.558 20 0 CBADRP O=C([C@@H]1[NH2+]CC12CCCC2)N1CCOC2(C[NH2+]C2)C1 ZINC001357735550 891934962 /nfs/dbraw/zinc/93/49/62/891934962.db2.gz HVWPMCNVTWNGBL-NSHDSACASA-N 2 0 265.357 -0.281 20 0 CBADRP C[N@H+](CCNC(=O)C[NH+]1CCC(CO)CC1)C1CC1 ZINC001357825765 891940031 /nfs/dbraw/zinc/94/00/31/891940031.db2.gz HZEBBKIWQNJIQU-UHFFFAOYSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CC1 ZINC001357846965 891940525 /nfs/dbraw/zinc/94/05/25/891940525.db2.gz PABFPCRGWJJKMW-JTQLQIEISA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+][C@@H](CC(=O)N[C@@H]1C[NH2+]C[C@@H]1O)Cc1ccccc1 ZINC001357888513 891944713 /nfs/dbraw/zinc/94/47/13/891944713.db2.gz FCQBVLYHXBHFDB-UPJWGTAASA-N 2 0 263.341 -0.605 20 0 CBADRP O=C([C@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001357951693 891951152 /nfs/dbraw/zinc/95/11/52/891951152.db2.gz FRGAICUHNUTDJS-GHMZBOCLSA-N 2 0 291.342 -0.196 20 0 CBADRP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCC[C@H]([NH2+]CCO)C1 ZINC001357951696 891951734 /nfs/dbraw/zinc/95/17/34/891951734.db2.gz FRGAICUHNUTDJS-QWRGUYRKSA-N 2 0 291.342 -0.196 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[NH2+]C[C@H]1CO ZINC001358026579 891956282 /nfs/dbraw/zinc/95/62/82/891956282.db2.gz HINGRGMWEXUAHQ-UTUOFQBUSA-N 2 0 255.362 -0.348 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001358001532 891956207 /nfs/dbraw/zinc/95/62/07/891956207.db2.gz QEYFFSLXWSDNBP-VWYCJHECSA-N 2 0 269.345 -0.380 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001358024150 891957048 /nfs/dbraw/zinc/95/70/48/891957048.db2.gz QGLWBVRWLLXOLU-CHWSQXEVSA-N 2 0 263.341 -0.473 20 0 CBADRP [NH3+][C@H]1CC[C@H](NC(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001358004834 891958841 /nfs/dbraw/zinc/95/88/41/891958841.db2.gz RCUZVSHLYBSXGE-NQBHXWOUSA-N 2 0 255.362 -0.123 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCCC[C@@H]1C[NH2+]C ZINC001358046251 891962002 /nfs/dbraw/zinc/96/20/02/891962002.db2.gz ZTQQTYOYRZWAMJ-IJLUTSLNSA-N 2 0 257.378 -0.197 20 0 CBADRP O=C(c1cccc2c1C[NH2+]C2)N1CC[NH2+]C[C@H]1CO ZINC001358030029 891962569 /nfs/dbraw/zinc/96/25/69/891962569.db2.gz VCWCRIUJRPMZGJ-NSHDSACASA-N 2 0 261.325 -0.304 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001358070456 891964578 /nfs/dbraw/zinc/96/45/78/891964578.db2.gz MJLIDDJRJFAUTE-NTZNESFSSA-N 2 0 255.362 -0.537 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001358070634 891969426 /nfs/dbraw/zinc/96/94/26/891969426.db2.gz WUVUKVUNJNRILX-FVCCEPFGSA-N 2 0 266.389 -0.654 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC001358070568 891969590 /nfs/dbraw/zinc/96/95/90/891969590.db2.gz SZIQQSYZTYEBFN-NTZNESFSSA-N 2 0 255.362 -0.286 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC[C@H]([NH3+])C1 ZINC001358129839 891974420 /nfs/dbraw/zinc/97/44/20/891974420.db2.gz FTVKEDYBMCTYML-WOPDTQHZSA-N 2 0 252.362 -0.676 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC001358120095 891974885 /nfs/dbraw/zinc/97/48/85/891974885.db2.gz VIUYFJIOKFTIMX-GFCCVEGCSA-N 2 0 258.341 -0.773 20 0 CBADRP C[C@H]1[C@@H](NC(=O)c2cn(CCCC[NH3+])nn2)CC[N@@H+]1C ZINC001358185327 891978931 /nfs/dbraw/zinc/97/89/31/891978931.db2.gz IUGBEGJYSHCPRS-QWRGUYRKSA-N 2 0 280.376 -0.161 20 0 CBADRP [NH3+]CCCSCCC(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001358238302 891981397 /nfs/dbraw/zinc/98/13/97/891981397.db2.gz NWWDRBMXLCMUHA-LBPRGKRZSA-N 2 0 275.418 -0.229 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC001358252068 891986934 /nfs/dbraw/zinc/98/69/34/891986934.db2.gz UBZWPMVASCWXHS-NWDGAFQWSA-N 2 0 255.362 -0.048 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001358302355 891989076 /nfs/dbraw/zinc/98/90/76/891989076.db2.gz RWVUJMXSYKCFJL-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]C1(CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC001358375669 891999315 /nfs/dbraw/zinc/99/93/15/891999315.db2.gz HGLBQCZTORMKLL-VIFPVBQESA-N 2 0 264.333 -0.576 20 0 CBADRP CN1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC[N@H+](C)CC1 ZINC001358445212 892008320 /nfs/dbraw/zinc/00/83/20/892008320.db2.gz XHICPSXMMULABY-ZDUSSCGKSA-N 2 0 284.404 -0.929 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001362317331 892590436 /nfs/dbraw/zinc/59/04/36/892590436.db2.gz CTTHNEQLUHCEJI-YPMHNXCESA-N 2 0 273.352 -0.397 20 0 CBADRP CC[N@H+](C)CCC(=O)NC1CN(C(=O)C[NH+]2CCCC2)C1 ZINC001450507362 913706162 /nfs/dbraw/zinc/70/61/62/913706162.db2.gz GYMJAZVNZJCFRN-UHFFFAOYSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@@H](CC(N)=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001362779924 893022425 /nfs/dbraw/zinc/02/24/25/893022425.db2.gz FHPFRISQMQXJGH-YNEHKIRRSA-N 2 0 298.431 -0.304 20 0 CBADRP O=C(CC[N@@H+]1CC[C@H](F)C1)NCC[NH+]1CCC(O)CC1 ZINC001362965166 893208962 /nfs/dbraw/zinc/20/89/62/893208962.db2.gz HUDZBVFPGFAYBY-LBPRGKRZSA-N 2 0 287.379 -0.007 20 0 CBADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2C[C@H]3C)C1 ZINC001362971192 893219066 /nfs/dbraw/zinc/21/90/66/893219066.db2.gz PRAMWKQKQLKQHY-RDBSUJKOSA-N 2 0 280.416 -0.025 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[NH+](C)CC[C@@H]2C1 ZINC001363006518 893256171 /nfs/dbraw/zinc/25/61/71/893256171.db2.gz UTFXTRYPVYIDKZ-QVHKTLOISA-N 2 0 281.400 -0.148 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)C[C@H](C)[NH2+]1 ZINC001363024425 893276966 /nfs/dbraw/zinc/27/69/66/893276966.db2.gz PROFPCRPAGOYIU-IGQOVBAYSA-N 2 0 280.416 -0.026 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC(=O)N2CCN(C)CC2)CC[N@@H+]1C ZINC001363083738 893337985 /nfs/dbraw/zinc/33/79/85/893337985.db2.gz QKRSISBJWYKJDK-VXGBXAGGSA-N 2 0 282.388 -0.783 20 0 CBADRP CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC001363127792 893387086 /nfs/dbraw/zinc/38/70/86/893387086.db2.gz PEQHSXMJDMFGOL-KBPBESRZSA-N 2 0 280.416 -0.071 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C[NH+](C)C ZINC001363147810 893406583 /nfs/dbraw/zinc/40/65/83/893406583.db2.gz GILYJVFEPPTMPF-CHWSQXEVSA-N 2 0 294.403 -0.524 20 0 CBADRP Cn1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nn1 ZINC001363147812 893407376 /nfs/dbraw/zinc/40/73/76/893407376.db2.gz GVAWQYDKBUCGBO-VXGBXAGGSA-N 2 0 294.403 -0.374 20 0 CBADRP O[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)CC1(O)CCOCC1 ZINC001363200362 893451670 /nfs/dbraw/zinc/45/16/70/893451670.db2.gz PZVTYCQWDHCNQQ-AVGNSLFASA-N 2 0 270.373 -0.570 20 0 CBADRP CC[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001451092856 913771210 /nfs/dbraw/zinc/77/12/10/913771210.db2.gz RPZJSSJSWBRDNR-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP COC(=O)CNC(=O)[C@@H](C)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001363292137 893546317 /nfs/dbraw/zinc/54/63/17/893546317.db2.gz CUICIBQPKMTZGE-UTUOFQBUSA-N 2 0 283.372 -0.452 20 0 CBADRP OC1(C[NH+]2CCCCC2)CC[NH+](CCn2cnnn2)CC1 ZINC001363315332 893570753 /nfs/dbraw/zinc/57/07/53/893570753.db2.gz SNSXBAQIEOGTTH-UHFFFAOYSA-N 2 0 294.403 -0.014 20 0 CBADRP C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](CCO)[C@H](CO)C2)CC1 ZINC001363336953 893596158 /nfs/dbraw/zinc/59/61/58/893596158.db2.gz XUWXYMBRKRPODP-STQMWFEESA-N 2 0 299.415 -0.881 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001363489970 893731087 /nfs/dbraw/zinc/73/10/87/893731087.db2.gz KVUISDMNDXHYSN-UKRRQHHQSA-N 2 0 297.399 -0.579 20 0 CBADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](O)[C@H](CO)C2)CC1 ZINC001364418082 894403447 /nfs/dbraw/zinc/40/34/47/894403447.db2.gz OOEVLTFWROZEQD-GJZGRUSLSA-N 2 0 285.432 -0.313 20 0 CBADRP COC(=O)CNC(=O)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001364551082 894489470 /nfs/dbraw/zinc/48/94/70/894489470.db2.gz UWYRTRVTFSYDDC-RISCZKNCSA-N 2 0 283.372 -0.451 20 0 CBADRP C[NH+]1CCN(C2CC[NH+](C[C@H](O)C(C)(C)O)CC2)CC1 ZINC001364783800 894614247 /nfs/dbraw/zinc/61/42/47/894614247.db2.gz YXVGGXJWTZFTKE-AWEZNQCLSA-N 2 0 285.432 -0.170 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001365812666 895125216 /nfs/dbraw/zinc/12/52/16/895125216.db2.gz XYHCWUIUUYGVEQ-KGLIPLIRSA-N 2 0 299.415 -0.378 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001365828357 895128820 /nfs/dbraw/zinc/12/88/20/895128820.db2.gz ZIPXCGBXTMSNDK-OUAUKWLOSA-N 2 0 270.377 -0.704 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001365823876 895129365 /nfs/dbraw/zinc/12/93/65/895129365.db2.gz XXJDSVZFNOHGPO-XQHKEYJVSA-N 2 0 296.415 -0.301 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001365848699 895132255 /nfs/dbraw/zinc/13/22/55/895132255.db2.gz JESSDQRTCMDHMI-JOCQHMNTSA-N 2 0 298.431 -0.101 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001365836445 895132391 /nfs/dbraw/zinc/13/23/91/895132391.db2.gz FKPASAPQMJGLIH-JHJVBQTASA-N 2 0 296.415 -0.299 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001365971829 895156595 /nfs/dbraw/zinc/15/65/95/895156595.db2.gz CFOTZFPDGDFSBI-NEPJUHHUSA-N 2 0 273.377 -0.864 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CCCO)C1 ZINC001366001849 895169532 /nfs/dbraw/zinc/16/95/32/895169532.db2.gz GBRAJSANPKDAGH-ZIAGYGMSSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@H]([NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1)C(N)=O ZINC001366070347 895181940 /nfs/dbraw/zinc/18/19/40/895181940.db2.gz WVUGDCWGZOTIJX-JQWIXIFHSA-N 2 0 294.399 -0.560 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001366093073 895188103 /nfs/dbraw/zinc/18/81/03/895188103.db2.gz MRWCZWPOIDZSAE-AAEUAGOBSA-N 2 0 284.404 -0.491 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001366095274 895189092 /nfs/dbraw/zinc/18/90/92/895189092.db2.gz XXIGNSHLNHUDEG-RWMBFGLXSA-N 2 0 285.388 -0.722 20 0 CBADRP CCN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001366096188 895189368 /nfs/dbraw/zinc/18/93/68/895189368.db2.gz ALZAWANQOUXPQD-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001366097831 895190823 /nfs/dbraw/zinc/19/08/23/895190823.db2.gz JRMFDKJKLXEFRM-MNOVXSKESA-N 2 0 282.388 -0.608 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001366128339 895200263 /nfs/dbraw/zinc/20/02/63/895200263.db2.gz UHANCAGGYSLMJB-SYQHCUMBSA-N 2 0 299.415 -0.285 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001366131066 895201275 /nfs/dbraw/zinc/20/12/75/895201275.db2.gz GCRDZPKAOJQRLE-SYQHCUMBSA-N 2 0 299.415 -0.428 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001366133045 895202243 /nfs/dbraw/zinc/20/22/43/895202243.db2.gz WPIMBTNTMKTERV-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001366141106 895206835 /nfs/dbraw/zinc/20/68/35/895206835.db2.gz IHLNAXFVGJWFLX-YVECIDJPSA-N 2 0 285.388 -0.675 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001366155163 895208517 /nfs/dbraw/zinc/20/85/17/895208517.db2.gz KQFGHZSFPGUQMQ-MJBXVCDLSA-N 2 0 299.415 -0.428 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001366153892 895209411 /nfs/dbraw/zinc/20/94/11/895209411.db2.gz GOEBYHSMKDPESU-PHIMTYICSA-N 2 0 270.377 -0.737 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001366165026 895211993 /nfs/dbraw/zinc/21/19/93/895211993.db2.gz ZCECHJDIBDVJQJ-WRWGMCAJSA-N 2 0 282.388 -0.548 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nncn2C)C1)[NH+](C)C ZINC001366172833 895214162 /nfs/dbraw/zinc/21/41/62/895214162.db2.gz QYOKURRUOGKJTD-GRYCIOLGSA-N 2 0 294.403 -0.108 20 0 CBADRP C[N@H+](CC(=O)NC1CCC([NH2+]CC(N)=O)CC1)C1CCC1 ZINC001366240338 895226677 /nfs/dbraw/zinc/22/66/77/895226677.db2.gz AHEZCIYMMBZUKE-UHFFFAOYSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(=O)N1CCC1 ZINC001366291229 895263071 /nfs/dbraw/zinc/26/30/71/895263071.db2.gz VSQDATUOZNGETD-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP COC[C@H](O)C[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001366288253 895264375 /nfs/dbraw/zinc/26/43/75/895264375.db2.gz PMZKJFNHSGUSDR-VXGBXAGGSA-N 2 0 287.404 -0.428 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001366330248 895281126 /nfs/dbraw/zinc/28/11/26/895281126.db2.gz YTRWNOKGEGCQQN-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC1CC1)[NH+](C)C ZINC001366349109 895288677 /nfs/dbraw/zinc/28/86/77/895288677.db2.gz VAVJJRJXQQYAGG-RISCZKNCSA-N 2 0 298.431 -0.055 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001366348294 895290376 /nfs/dbraw/zinc/29/03/76/895290376.db2.gz SXLPHFPCBIMLKH-QWRGUYRKSA-N 2 0 270.377 -0.832 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001366396142 895311140 /nfs/dbraw/zinc/31/11/40/895311140.db2.gz AWLWLJSOVDPENH-GRYCIOLGSA-N 2 0 282.388 -0.750 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001366403399 895312454 /nfs/dbraw/zinc/31/24/54/895312454.db2.gz QEXBSTNLQSOERA-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001366403109 895312822 /nfs/dbraw/zinc/31/28/22/895312822.db2.gz OWEVFSMWNUQCSA-LBPRGKRZSA-N 2 0 294.403 -0.295 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001366452758 895323396 /nfs/dbraw/zinc/32/33/96/895323396.db2.gz NNCKXXHOUXJCKL-AAEUAGOBSA-N 2 0 294.403 -0.106 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001366471273 895328012 /nfs/dbraw/zinc/32/80/12/895328012.db2.gz HERBWNLZRAVULX-RWMBFGLXSA-N 2 0 287.404 -0.428 20 0 CBADRP C[C@@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H](C)C(N)=O ZINC001366471156 895328416 /nfs/dbraw/zinc/32/84/16/895328416.db2.gz ISNSDGJCXBLDJQ-QWRGUYRKSA-N 2 0 284.404 -0.171 20 0 CBADRP COC[C@H](O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001366471272 895329132 /nfs/dbraw/zinc/32/91/32/895329132.db2.gz HERBWNLZRAVULX-JHJVBQTASA-N 2 0 287.404 -0.428 20 0 CBADRP CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001366486775 895331560 /nfs/dbraw/zinc/33/15/60/895331560.db2.gz OVVLRENETDHFTL-QWRGUYRKSA-N 2 0 297.407 -0.465 20 0 CBADRP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N(C)C ZINC001366512777 895338141 /nfs/dbraw/zinc/33/81/41/895338141.db2.gz XFUPESVCHCIXGZ-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[N@H+](CCNC(=O)C[NH+](C)C1CCC1)[C@@H]1CCNC1=O ZINC001366616217 895409387 /nfs/dbraw/zinc/40/93/87/895409387.db2.gz IZLLYXOPRVUYLZ-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@H+](CCNC(=O)C[NH+](C)C1CCC1)[C@H]1CCNC1=O ZINC001366616219 895409936 /nfs/dbraw/zinc/40/99/36/895409936.db2.gz IZLLYXOPRVUYLZ-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H]([NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001366777797 895459837 /nfs/dbraw/zinc/45/98/37/895459837.db2.gz SJDWZNCPSZUSIG-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC)[NH+](C)C ZINC001366777396 895460816 /nfs/dbraw/zinc/46/08/16/895460816.db2.gz RCXDJUVPKVAJKC-QWRGUYRKSA-N 2 0 272.393 -0.491 20 0 CBADRP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001366832941 895466655 /nfs/dbraw/zinc/46/66/55/895466655.db2.gz HXJBNWHVAAANJY-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001366873170 895472779 /nfs/dbraw/zinc/47/27/79/895472779.db2.gz QXBHTIRLGSPZLE-QWHCGFSZSA-N 2 0 296.415 -0.536 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001366893276 895480721 /nfs/dbraw/zinc/48/07/21/895480721.db2.gz GEJKIWLFCAFERZ-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001366996315 895522667 /nfs/dbraw/zinc/52/26/67/895522667.db2.gz MBQNXKFQCUFQCD-AVGNSLFASA-N 2 0 281.400 -0.006 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001367006014 895527235 /nfs/dbraw/zinc/52/72/35/895527235.db2.gz DVLRSURKGRJMRR-XQQFMLRXSA-N 2 0 285.388 -0.722 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001367015507 895533286 /nfs/dbraw/zinc/53/32/86/895533286.db2.gz HTSUSVYHZDRIRR-STQMWFEESA-N 2 0 299.415 -0.474 20 0 CBADRP CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@@H](C)C(N)=O ZINC001367115663 895567361 /nfs/dbraw/zinc/56/73/61/895567361.db2.gz PYGLLVYFNHGFPF-NWDGAFQWSA-N 2 0 296.415 -0.027 20 0 CBADRP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(N)=O ZINC001367128806 895569899 /nfs/dbraw/zinc/56/98/99/895569899.db2.gz RTXDFRZHGYOVAW-GHMZBOCLSA-N 2 0 270.377 -0.702 20 0 CBADRP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H]1CCNC1=O ZINC001367138724 895573195 /nfs/dbraw/zinc/57/31/95/895573195.db2.gz MHKXYPOTXLLQNS-NEPJUHHUSA-N 2 0 294.399 -0.545 20 0 CBADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)C(N)=O ZINC001367145313 895575167 /nfs/dbraw/zinc/57/51/67/895575167.db2.gz XTFQOCWERMGKFX-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP CC[C@H](C(=O)N[C@](C)(C[NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001367169429 895577389 /nfs/dbraw/zinc/57/73/89/895577389.db2.gz BLYJEEKTBXPLDQ-BXUZGUMPSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@H](C(=O)N[C@@](C)(C[NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001367169431 895578733 /nfs/dbraw/zinc/57/87/33/895578733.db2.gz BLYJEEKTBXPLDQ-RISCZKNCSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1nnnn1C ZINC001367231391 895588764 /nfs/dbraw/zinc/58/87/64/895588764.db2.gz DYGZOFVUWRTPPJ-MNOVXSKESA-N 2 0 295.391 -0.854 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)C[NH2+]CC(N)=O)C1 ZINC001367263470 895599131 /nfs/dbraw/zinc/59/91/31/895599131.db2.gz CQRQOERFXNOFOW-OLZOCXBDSA-N 2 0 298.431 -0.064 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001367272187 895602107 /nfs/dbraw/zinc/60/21/07/895602107.db2.gz HQTXIINDMOJRGS-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001367278389 895602893 /nfs/dbraw/zinc/60/28/93/895602893.db2.gz UXIKINMNWABVNK-GHMZBOCLSA-N 2 0 270.377 -0.832 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367290005 895605231 /nfs/dbraw/zinc/60/52/31/895605231.db2.gz NQNGRDLYEHNAOQ-OLZOCXBDSA-N 2 0 298.431 -0.194 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+][C@@H]1CCCNC1=O ZINC001367298313 895608571 /nfs/dbraw/zinc/60/85/71/895608571.db2.gz XNTIFNGBIOQXSL-CHWSQXEVSA-N 2 0 296.415 -0.297 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H](C)C1 ZINC001367451840 895638690 /nfs/dbraw/zinc/63/86/90/895638690.db2.gz VIDCVEJIQDESLY-VXGBXAGGSA-N 2 0 284.404 -0.362 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@H](O)C[NH2+]C[C@@H]2CCOC2)CCC1 ZINC001367592015 895687289 /nfs/dbraw/zinc/68/72/89/895687289.db2.gz GDGZHZPCQLEKPV-QWHCGFSZSA-N 2 0 299.415 -0.426 20 0 CBADRP Cn1ccnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001367588590 895688337 /nfs/dbraw/zinc/68/83/37/895688337.db2.gz XTDNZUVMHHFCRU-RYUDHWBXSA-N 2 0 295.387 -0.919 20 0 CBADRP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccnc1)[NH+](C)C ZINC001367617531 895705559 /nfs/dbraw/zinc/70/55/59/895705559.db2.gz BVLZVTUVXFOPPT-ZIAGYGMSSA-N 2 0 294.399 -0.012 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccn(C)n1)[NH+](C)C ZINC001367623881 895709179 /nfs/dbraw/zinc/70/91/79/895709179.db2.gz WJSZLMYNRYZCCB-STQMWFEESA-N 2 0 297.403 -0.673 20 0 CBADRP Cc1oncc1C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001367621672 895711343 /nfs/dbraw/zinc/71/13/43/895711343.db2.gz DJZLXAZVRXJACL-ZDUSSCGKSA-N 2 0 296.371 -0.354 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367691058 895749606 /nfs/dbraw/zinc/74/96/06/895749606.db2.gz YLESDNXQLHITKI-ZYHUDNBSSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[C@H](C(=O)N(CC)CC[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001367690675 895751726 /nfs/dbraw/zinc/75/17/26/895751726.db2.gz OARSQYZLSLJALT-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001367696828 895754325 /nfs/dbraw/zinc/75/43/25/895754325.db2.gz AIHQKFJYBBKTSW-UTUOFQBUSA-N 2 0 286.420 -0.102 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NC ZINC001367707222 895758366 /nfs/dbraw/zinc/75/83/66/895758366.db2.gz VSXSMHBSKZIOTD-GHMZBOCLSA-N 2 0 272.393 -0.443 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367711389 895758729 /nfs/dbraw/zinc/75/87/29/895758729.db2.gz FLNDBURUDKBBPC-NEPJUHHUSA-N 2 0 296.415 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001367708166 895759002 /nfs/dbraw/zinc/75/90/02/895759002.db2.gz JDFGPRGWLMAWAX-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NC ZINC001367707224 895762043 /nfs/dbraw/zinc/76/20/43/895762043.db2.gz VSXSMHBSKZIOTD-MNOVXSKESA-N 2 0 272.393 -0.443 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)C[NH+]1CCCC1 ZINC001367713020 895762444 /nfs/dbraw/zinc/76/24/44/895762444.db2.gz SXJJSNCFJLSZTA-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001367735476 895778347 /nfs/dbraw/zinc/77/83/47/895778347.db2.gz SUCFSBRGLQEROT-AAEUAGOBSA-N 2 0 296.415 -0.489 20 0 CBADRP CC[C@@H]([NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001367739478 895780399 /nfs/dbraw/zinc/78/03/99/895780399.db2.gz BSZBGTDHONNRAH-NWDGAFQWSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001367751654 895783234 /nfs/dbraw/zinc/78/32/34/895783234.db2.gz PQMFNGJWOYNJGK-XQQFMLRXSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)C(N)=O ZINC001367762985 895798388 /nfs/dbraw/zinc/79/83/88/895798388.db2.gz OSSGOEXLGZQVRH-NWDGAFQWSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CN(C)[C@H]1CCNC1=O ZINC001367861367 895837691 /nfs/dbraw/zinc/83/76/91/895837691.db2.gz LJEVGRRTHSVZIU-RYUDHWBXSA-N 2 0 284.404 -0.348 20 0 CBADRP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001368009934 895888197 /nfs/dbraw/zinc/88/81/97/895888197.db2.gz ADKNLZRCYQYYNK-OLZOCXBDSA-N 2 0 299.415 -0.284 20 0 CBADRP CC[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1)C(N)=O ZINC001368014760 895891235 /nfs/dbraw/zinc/89/12/35/895891235.db2.gz QANVARBVSPEZOS-VXGBXAGGSA-N 2 0 296.415 -0.027 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC001368036360 895895194 /nfs/dbraw/zinc/89/51/94/895895194.db2.gz QFSQPWSSJRFFKG-WDEREUQCSA-N 2 0 280.372 -0.935 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC001368036357 895895379 /nfs/dbraw/zinc/89/53/79/895895379.db2.gz QFSQPWSSJRFFKG-GHMZBOCLSA-N 2 0 280.372 -0.935 20 0 CBADRP NC(=O)C[NH2+]C1(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001368033306 895896828 /nfs/dbraw/zinc/89/68/28/895896828.db2.gz IQTVRKGUKNCLMW-UHFFFAOYSA-N 2 0 296.415 -0.024 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001368108178 895914397 /nfs/dbraw/zinc/91/43/97/895914397.db2.gz ZOOKFUYWKDVIIG-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001368108188 895917033 /nfs/dbraw/zinc/91/70/33/895917033.db2.gz ZOOKFUYWKDVIIG-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CC1CC[NH+](CC(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)CC1 ZINC001368126129 895920259 /nfs/dbraw/zinc/92/02/59/895920259.db2.gz UAHWCGNFPIESLT-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCO)C2)CC[N@@H+]1C ZINC001368244189 895941135 /nfs/dbraw/zinc/94/11/35/895941135.db2.gz GXQHFCZIRAWYDC-GUTXKFCHSA-N 2 0 299.415 -0.738 20 0 CBADRP CC(C)[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001368253495 895943025 /nfs/dbraw/zinc/94/30/25/895943025.db2.gz RAUSHFQEFUVVEP-JSGCOSHPSA-N 2 0 285.388 -0.722 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368339230 895987431 /nfs/dbraw/zinc/98/74/31/895987431.db2.gz VDNRZIALQBFVED-VXGBXAGGSA-N 2 0 296.415 -0.360 20 0 CBADRP C[NH+](C)CCC(=O)N1CC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001368422728 896008541 /nfs/dbraw/zinc/00/85/41/896008541.db2.gz LHVWSLNIENDPMN-UHFFFAOYSA-N 2 0 282.388 -0.652 20 0 CBADRP C[NH+]1CCC(CC(=O)NCC2([NH2+]CC(N)=O)CCC2)CC1 ZINC001368481351 896019991 /nfs/dbraw/zinc/01/99/91/896019991.db2.gz FWFAJKVZKCJMBH-UHFFFAOYSA-N 2 0 296.415 -0.168 20 0 CBADRP CC1CC[NH+](CC(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC001368501738 896021834 /nfs/dbraw/zinc/02/18/34/896021834.db2.gz GWCYXSMSUFIAAN-BETUJISGSA-N 2 0 296.415 -0.312 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)CC1)[NH+](C)C ZINC001368513897 896024532 /nfs/dbraw/zinc/02/45/32/896024532.db2.gz LHLUSJUBSSZAAS-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001368523073 896024933 /nfs/dbraw/zinc/02/49/33/896024933.db2.gz GUDVRXXSSAXYPF-NTZNESFSSA-N 2 0 284.404 -0.458 20 0 CBADRP CC[C@H](C(=O)N(C)CCC[N@H+](C)CC(=O)NC)[NH+](C)C ZINC001368549760 896033390 /nfs/dbraw/zinc/03/33/90/896033390.db2.gz TYKNRIOSLHTZCX-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP CNC(=O)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001368551199 896033828 /nfs/dbraw/zinc/03/38/28/896033828.db2.gz ZGRUIVGDVVOXMA-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001368549417 896036112 /nfs/dbraw/zinc/03/61/12/896036112.db2.gz NDYSOOIYFFKIEN-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC001368574292 896038138 /nfs/dbraw/zinc/03/81/38/896038138.db2.gz PFWQGUXEDXUFRW-LPWJVIDDSA-N 2 0 298.431 -0.069 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]CC(N)=O)CC1 ZINC001368654906 896053664 /nfs/dbraw/zinc/05/36/64/896053664.db2.gz OUAABTWKFYEWBR-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCn1cncn1 ZINC001368729600 896071562 /nfs/dbraw/zinc/07/15/62/896071562.db2.gz OBYGMKVZFCELHH-QWHCGFSZSA-N 2 0 294.403 -0.143 20 0 CBADRP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001368774130 896078887 /nfs/dbraw/zinc/07/88/87/896078887.db2.gz LLGXKWVYXNEWPT-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001368780908 896078969 /nfs/dbraw/zinc/07/89/69/896078969.db2.gz HAWYNZMVIPFHQI-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]CCS(C)(=O)=O ZINC001368869892 896100016 /nfs/dbraw/zinc/10/00/16/896100016.db2.gz QLGGGEJQNPTAFA-GHMZBOCLSA-N 2 0 293.433 -0.535 20 0 CBADRP C[C@@H]([NH2+]CCn1cncn1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001368897859 896107183 /nfs/dbraw/zinc/10/71/83/896107183.db2.gz BUJPLEFJNGBZJD-OLZOCXBDSA-N 2 0 294.403 -0.143 20 0 CBADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]CCn1cncn1 ZINC001368897856 896107612 /nfs/dbraw/zinc/10/76/12/896107612.db2.gz BUJPLEFJNGBZJD-CHWSQXEVSA-N 2 0 294.403 -0.143 20 0 CBADRP CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CC(N)=O)[NH+](C)C ZINC001368916295 896110776 /nfs/dbraw/zinc/11/07/76/896110776.db2.gz BZPXKUVGBAUTAF-NSHDSACASA-N 2 0 286.420 -0.114 20 0 CBADRP CC[NH+](CC)CC(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001452810332 914035227 /nfs/dbraw/zinc/03/52/27/914035227.db2.gz GZJLYMSALMGLMZ-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP COC[C@@H](O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001369094932 896153737 /nfs/dbraw/zinc/15/37/37/896153737.db2.gz UZARUBVOLWZEBD-KWCYVHTRSA-N 2 0 299.415 -0.476 20 0 CBADRP CC(C)[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(N)=O ZINC001369194356 896169080 /nfs/dbraw/zinc/16/90/80/896169080.db2.gz BYEMUDNNSOJAAY-QWHCGFSZSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCS(C)(=O)=O ZINC001369273330 896184349 /nfs/dbraw/zinc/18/43/49/896184349.db2.gz CXQIAUPEPHIYMF-NSHDSACASA-N 2 0 293.433 -0.581 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCS(C)(=O)=O ZINC001369273328 896185257 /nfs/dbraw/zinc/18/52/57/896185257.db2.gz CXQIAUPEPHIYMF-LLVKDONJSA-N 2 0 293.433 -0.581 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369309632 896199964 /nfs/dbraw/zinc/19/99/64/896199964.db2.gz VHYMILXPSMRXJW-WDEREUQCSA-N 2 0 270.377 -0.879 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCF ZINC001369331053 896220388 /nfs/dbraw/zinc/22/03/88/896220388.db2.gz DWAYHUUXFSHBEH-VXGBXAGGSA-N 2 0 275.368 -0.105 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1cccnc1 ZINC001369371248 896243341 /nfs/dbraw/zinc/24/33/41/896243341.db2.gz GJOKBAXGCIWQEG-AWEZNQCLSA-N 2 0 294.399 -0.012 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001369403177 896260364 /nfs/dbraw/zinc/26/03/64/896260364.db2.gz OTRVKBXHHBQGCW-NWDGAFQWSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001369423882 896264226 /nfs/dbraw/zinc/26/42/26/896264226.db2.gz PZOICVRTFQLZFM-YPMHNXCESA-N 2 0 296.415 -0.312 20 0 CBADRP CN(C[C@H](O)C[NH2+]Cc1cccnc1)C(=O)CC[NH+](C)C ZINC001369485768 896288984 /nfs/dbraw/zinc/28/89/84/896288984.db2.gz PNTIZWMQQMQHDC-CQSZACIVSA-N 2 0 294.399 -0.058 20 0 CBADRP CN(C[C@@H](O)C[N@H+](C)CCCO)C(=O)C12CC[NH+](CC1)C2 ZINC001369514950 896305937 /nfs/dbraw/zinc/30/59/37/896305937.db2.gz QZLSMLNUPMJPPE-ZDUSSCGKSA-N 2 0 299.415 -0.784 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+](C)CCO ZINC001369518348 896306355 /nfs/dbraw/zinc/30/63/55/896306355.db2.gz YNLNOVJMDWKVFW-LBPRGKRZSA-N 2 0 275.393 -0.930 20 0 CBADRP CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001369572374 896318658 /nfs/dbraw/zinc/31/86/58/896318658.db2.gz OZNKQTPTQULRJK-WXRRBKDZSA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)C1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001369624707 896325923 /nfs/dbraw/zinc/32/59/23/896325923.db2.gz UVOKUENSBAOECO-WXRRBKDZSA-N 2 0 296.415 -0.206 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001369754014 896336498 /nfs/dbraw/zinc/33/64/98/896336498.db2.gz SYCAXAXCGYVDEF-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C(=O)CC[NH+](C)C ZINC001369836474 896348860 /nfs/dbraw/zinc/34/88/60/896348860.db2.gz HGLQWFGMGFOBJJ-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001370387501 896422428 /nfs/dbraw/zinc/42/24/28/896422428.db2.gz AATWAOJRXCBCFU-QWHCGFSZSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(=O)N(C)C ZINC001370387593 896423260 /nfs/dbraw/zinc/42/32/60/896423260.db2.gz AMJDGYPJUBNQEB-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001370409725 896423441 /nfs/dbraw/zinc/42/34/41/896423441.db2.gz XZMPPCAULNNGMO-FRRDWIJNSA-N 2 0 285.388 -0.864 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001370405452 896423510 /nfs/dbraw/zinc/42/35/10/896423510.db2.gz PNHVJEXZWOCYCU-STQMWFEESA-N 2 0 297.399 -0.720 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001370391999 896423682 /nfs/dbraw/zinc/42/36/82/896423682.db2.gz JIYGBJPHAUPCJE-AGIUHOORSA-N 2 0 296.415 -0.204 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001370427575 896426006 /nfs/dbraw/zinc/42/60/06/896426006.db2.gz KFJIYWAIMIZHCL-QWHCGFSZSA-N 2 0 287.404 -0.476 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001370666646 896469441 /nfs/dbraw/zinc/46/94/41/896469441.db2.gz OUHBEHLRDMJUPJ-TXEJJXNPSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001370664132 896470934 /nfs/dbraw/zinc/47/09/34/896470934.db2.gz IRKIKFKJGDDFEK-TUAOUCFPSA-N 2 0 284.404 -0.171 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001370827284 896508173 /nfs/dbraw/zinc/50/81/73/896508173.db2.gz DUWUORHGDFUXMS-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@H]([NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001370837018 896510607 /nfs/dbraw/zinc/51/06/07/896510607.db2.gz PYDIZKHFUVZTOK-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(=O)NC ZINC001371412236 896604760 /nfs/dbraw/zinc/60/47/60/896604760.db2.gz WUWINNXGBSVVKR-MNOVXSKESA-N 2 0 272.393 -0.443 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001371471195 896620280 /nfs/dbraw/zinc/62/02/80/896620280.db2.gz JSSOGWVYPABLLK-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CC(N)=O ZINC001371472079 896620487 /nfs/dbraw/zinc/62/04/87/896620487.db2.gz ZUWHQAVBQGNCFQ-NSHDSACASA-N 2 0 292.383 -0.059 20 0 CBADRP CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001371545393 896632166 /nfs/dbraw/zinc/63/21/66/896632166.db2.gz XOBSKVRHMLXSNH-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1)[NH+](CC)CC ZINC001371533702 896632538 /nfs/dbraw/zinc/63/25/38/896632538.db2.gz KWGBPWCSRGTKEO-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001371610758 896641719 /nfs/dbraw/zinc/64/17/19/896641719.db2.gz DEROBKBGQCOASI-GFCCVEGCSA-N 2 0 284.404 -0.489 20 0 CBADRP CN(C[C@H]1CCN1C(=O)CC[NH+](C)C)C(=O)CC[NH+](C)C ZINC001371633341 896644548 /nfs/dbraw/zinc/64/45/48/896644548.db2.gz JGTHXSLWNZOHOU-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N1CCC1 ZINC001371885854 896673447 /nfs/dbraw/zinc/67/34/47/896673447.db2.gz YBKFWKNMPDHCME-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001371889905 896674619 /nfs/dbraw/zinc/67/46/19/896674619.db2.gz VCWUVZJRLJFTMB-NSHDSACASA-N 2 0 272.393 -0.443 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001372225967 896753339 /nfs/dbraw/zinc/75/33/39/896753339.db2.gz YCFWXLTVNCIOBL-LBPRGKRZSA-N 2 0 273.377 -0.863 20 0 CBADRP CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001372668723 896834257 /nfs/dbraw/zinc/83/42/57/896834257.db2.gz TUBUMSNNFQWASJ-ZDUSSCGKSA-N 2 0 296.415 -0.358 20 0 CBADRP CC(C)[C@H](C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001372940869 896909974 /nfs/dbraw/zinc/90/99/74/896909974.db2.gz AYSWIRNXJDYDGW-WDEREUQCSA-N 2 0 272.393 -0.506 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001372994110 896921645 /nfs/dbraw/zinc/92/16/45/896921645.db2.gz TZIFJPQVVIJQKX-RYUDHWBXSA-N 2 0 284.404 -0.537 20 0 CBADRP CC[C@H](C(=O)NCC[C@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001373187534 896952216 /nfs/dbraw/zinc/95/22/16/896952216.db2.gz AFAPFMLDKUZVPI-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001373366831 896985713 /nfs/dbraw/zinc/98/57/13/896985713.db2.gz QHJAMQDUKCKDSJ-RDBSUJKOSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[NH+](CC)CC(=O)NCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001373459067 897021149 /nfs/dbraw/zinc/02/11/49/897021149.db2.gz OAAKPZMDYGURLH-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP COC[C@@H](O)C[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001373552613 897048952 /nfs/dbraw/zinc/04/89/52/897048952.db2.gz MVZBIXVBCWPKTK-ZDUSSCGKSA-N 2 0 285.388 -0.863 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001373612811 897068811 /nfs/dbraw/zinc/06/88/11/897068811.db2.gz AAJHKJZVKCYBKU-RWMBFGLXSA-N 2 0 285.388 -0.864 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001373639558 897084596 /nfs/dbraw/zinc/08/45/96/897084596.db2.gz BRODZRFFZHFDGE-MCIONIFRSA-N 2 0 299.415 -0.474 20 0 CBADRP CCN(C(=O)CC[N@H+](C)CC)[C@@H]1CCN(CC(=O)NC)C1 ZINC001373709825 897100716 /nfs/dbraw/zinc/10/07/16/897100716.db2.gz IZQHJCALUZUBTJ-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCNC1=O ZINC001373825789 897129643 /nfs/dbraw/zinc/12/96/43/897129643.db2.gz PXKDWDRULUSTGR-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H](C)C(N)=O ZINC001373821253 897129886 /nfs/dbraw/zinc/12/98/86/897129886.db2.gz MSBXOLOENRRBPS-WDEREUQCSA-N 2 0 282.388 -0.560 20 0 CBADRP CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001373963347 897141560 /nfs/dbraw/zinc/14/15/60/897141560.db2.gz BAIYTFFHSAQYSD-FRRDWIJNSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001373967671 897144519 /nfs/dbraw/zinc/14/45/19/897144519.db2.gz UEEQZLAOKHVABO-RWMBFGLXSA-N 2 0 296.415 -0.217 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001374017632 897155761 /nfs/dbraw/zinc/15/57/61/897155761.db2.gz WRMZGWGFSUZURL-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+][C@@H]1CCNC1=O ZINC001374066779 897165683 /nfs/dbraw/zinc/16/56/83/897165683.db2.gz XEYPYVMYEZYYKB-VXGBXAGGSA-N 2 0 296.415 -0.441 20 0 CBADRP CC[C@@H]([NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001374101930 897170460 /nfs/dbraw/zinc/17/04/60/897170460.db2.gz XVGDTINQJZMHCQ-NWDGAFQWSA-N 2 0 296.415 -0.312 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1nncn1C ZINC001374111869 897171076 /nfs/dbraw/zinc/17/10/76/897171076.db2.gz GKUZWVYMTKOZRF-GFCCVEGCSA-N 2 0 296.419 -0.003 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374281480 897200017 /nfs/dbraw/zinc/20/00/17/897200017.db2.gz OHPVHAPKOMSJDE-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374281487 897201965 /nfs/dbraw/zinc/20/19/65/897201965.db2.gz OHPVHAPKOMSJDE-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O)[NH+](C)C ZINC001374285580 897208244 /nfs/dbraw/zinc/20/82/44/897208244.db2.gz SCMDQQJDTLNGLR-ZYHUDNBSSA-N 2 0 272.393 -0.506 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)C[NH+]1CCCC1 ZINC001374324944 897209404 /nfs/dbraw/zinc/20/94/04/897209404.db2.gz GXWTXSJXASCTDD-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374312901 897210824 /nfs/dbraw/zinc/21/08/24/897210824.db2.gz MTEXBRJSQIPIIK-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(N)=O ZINC001374424005 897223209 /nfs/dbraw/zinc/22/32/09/897223209.db2.gz GFRKRMBCOBTAOO-LBPRGKRZSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cnnn1C ZINC001374430754 897225275 /nfs/dbraw/zinc/22/52/75/897225275.db2.gz DZIBDIQKTVNOQU-CYBMUJFWSA-N 2 0 296.419 -0.003 20 0 CBADRP CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001374442703 897230288 /nfs/dbraw/zinc/23/02/88/897230288.db2.gz FILWXWCIUMVFFN-RYUDHWBXSA-N 2 0 284.404 -0.456 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001374560714 897261938 /nfs/dbraw/zinc/26/19/38/897261938.db2.gz DYVNUJPAOSHUTL-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)cn1 ZINC001374644378 897323827 /nfs/dbraw/zinc/32/38/27/897323827.db2.gz WRSKMGFTRMGFFZ-ZDUSSCGKSA-N 2 0 295.387 -0.697 20 0 CBADRP C[C@@H]([NH2+]CC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001374704704 897349072 /nfs/dbraw/zinc/34/90/72/897349072.db2.gz ODUXMMSAVJNCKL-WDEREUQCSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001374780463 897384657 /nfs/dbraw/zinc/38/46/57/897384657.db2.gz MSRYSXGOOVBKOV-MNOVXSKESA-N 2 0 282.388 -0.417 20 0 CBADRP CC[C@@H](C(=O)NC1CN(C(=O)C[NH+]2CCCC2)C1)[NH+](C)C ZINC001374773626 897385329 /nfs/dbraw/zinc/38/53/29/897385329.db2.gz UYVOIWIZGBPWNP-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001374871817 897415352 /nfs/dbraw/zinc/41/53/52/897415352.db2.gz BGCBNDBZECTSHE-RYUDHWBXSA-N 2 0 284.404 -0.301 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001374889805 897423999 /nfs/dbraw/zinc/42/39/99/897423999.db2.gz NOIZIQSXHFLFTC-YUTCNCBUSA-N 2 0 299.415 -0.570 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC)[NH+](C)C ZINC001374907590 897429940 /nfs/dbraw/zinc/42/99/40/897429940.db2.gz YGDMAIDXUCTYJL-GARJFASQSA-N 2 0 272.393 -0.445 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC)[NH+](C)C ZINC001374907594 897430575 /nfs/dbraw/zinc/43/05/75/897430575.db2.gz YGDMAIDXUCTYJL-HBNTYKKESA-N 2 0 272.393 -0.445 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001374950798 897437486 /nfs/dbraw/zinc/43/74/86/897437486.db2.gz IROGMQUWZCHFGS-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001374961475 897443630 /nfs/dbraw/zinc/44/36/30/897443630.db2.gz JSTCHLIFURUQDF-LBPRGKRZSA-N 2 0 296.415 -0.299 20 0 CBADRP COC[C@@H](O)C[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001375153646 897486715 /nfs/dbraw/zinc/48/67/15/897486715.db2.gz LCHNXDIPPKCWDQ-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)CC[N@@H+]1C ZINC001375225816 897499107 /nfs/dbraw/zinc/49/91/07/897499107.db2.gz TZMJRJKBCCZOAT-JLLWLGSASA-N 2 0 282.388 -0.704 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)NC)C1CC1)[NH+](C)C ZINC001375275436 897506713 /nfs/dbraw/zinc/50/67/13/897506713.db2.gz YLDQEBBWRKFQQH-RYUDHWBXSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CC1)C(N)=O ZINC001375428244 897542074 /nfs/dbraw/zinc/54/20/74/897542074.db2.gz BTAOPNVKDVLNOW-SNVBAGLBSA-N 2 0 282.388 -0.417 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001375432143 897542726 /nfs/dbraw/zinc/54/27/26/897542726.db2.gz FLNSQHDWAODMTD-LBPRGKRZSA-N 2 0 284.404 -0.443 20 0 CBADRP CC[C@H]([NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CC1)C(N)=O ZINC001375430099 897542787 /nfs/dbraw/zinc/54/27/87/897542787.db2.gz WYENPQONPBTJBJ-LBPRGKRZSA-N 2 0 296.415 -0.027 20 0 CBADRP CCNC(=O)C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001375434752 897544952 /nfs/dbraw/zinc/54/49/52/897544952.db2.gz YPEWODWQCUJQLI-ZDUSSCGKSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001375503774 897555771 /nfs/dbraw/zinc/55/57/71/897555771.db2.gz VGKANSIWPGWDOC-GARJFASQSA-N 2 0 270.377 -0.704 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001375540850 897564201 /nfs/dbraw/zinc/56/42/01/897564201.db2.gz HQJDWVLEDAJRRV-AVGNSLFASA-N 2 0 296.415 -0.441 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001375554401 897567135 /nfs/dbraw/zinc/56/71/35/897567135.db2.gz QLTVWNFOMXBDNS-JOCQHMNTSA-N 2 0 296.415 -0.297 20 0 CBADRP NC(=O)C[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001375555232 897567416 /nfs/dbraw/zinc/56/74/16/897567416.db2.gz QQVPCVGBVBVYBY-UHFFFAOYSA-N 2 0 282.388 -0.414 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001375571219 897568754 /nfs/dbraw/zinc/56/87/54/897568754.db2.gz DYMBGIAEBHATPV-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C1 ZINC001375635315 897576431 /nfs/dbraw/zinc/57/64/31/897576431.db2.gz YIYJECVONGMJBO-OLZOCXBDSA-N 2 0 296.415 -0.406 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH+](CCO)CCO)C2)C1 ZINC001375624104 897578090 /nfs/dbraw/zinc/57/80/90/897578090.db2.gz XGEQNNYWALHSBG-UONOGXRCSA-N 2 0 299.415 -0.784 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH+](CCO)CCO)C2)C1 ZINC001375624105 897578900 /nfs/dbraw/zinc/57/89/00/897578900.db2.gz XGEQNNYWALHSBG-ZIAGYGMSSA-N 2 0 299.415 -0.784 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001375760457 897602890 /nfs/dbraw/zinc/60/28/90/897602890.db2.gz DTRHCOXIYKETCZ-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001375895510 897619167 /nfs/dbraw/zinc/61/91/67/897619167.db2.gz MHDHIKNHUAQKLY-OAHLLOKOSA-N 2 0 296.415 -0.344 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCCO)C1 ZINC001376043805 897641166 /nfs/dbraw/zinc/64/11/66/897641166.db2.gz BGQZJRQAVZBJMF-HIFRSBDPSA-N 2 0 299.415 -0.594 20 0 CBADRP COCC[N@@H+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001376097496 897652647 /nfs/dbraw/zinc/65/26/47/897652647.db2.gz URNHMVGCVAYPJX-UKRRQHHQSA-N 2 0 299.415 -0.472 20 0 CBADRP CC[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CCOC)C1)[NH+](C)C ZINC001376100116 897654324 /nfs/dbraw/zinc/65/43/24/897654324.db2.gz ZSPPETSDOXMCHJ-GXTWGEPZSA-N 2 0 287.404 -0.474 20 0 CBADRP CN(C)C(=O)CN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376154981 897675486 /nfs/dbraw/zinc/67/54/86/897675486.db2.gz SDBFQGDHWJDHOG-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001376328763 897714201 /nfs/dbraw/zinc/71/42/01/897714201.db2.gz HWEDMDWHYAZSQK-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001376358229 897715941 /nfs/dbraw/zinc/71/59/41/897715941.db2.gz GFKLZOGTXGOASE-OLZOCXBDSA-N 2 0 296.415 -0.488 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001376365648 897720589 /nfs/dbraw/zinc/72/05/89/897720589.db2.gz KLATXTCMIGIUNM-HAQNSBGRSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001376394693 897722569 /nfs/dbraw/zinc/72/25/69/897722569.db2.gz DELSMCRLQNIBIO-GMTAPVOTSA-N 2 0 270.377 -0.691 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC001376509325 897762549 /nfs/dbraw/zinc/76/25/49/897762549.db2.gz FPXJRYDXMWHFRV-TXEJJXNPSA-N 2 0 294.403 -0.108 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001376579486 897780982 /nfs/dbraw/zinc/78/09/82/897780982.db2.gz XWAZBLCBUHCKPI-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP NC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCC1 ZINC001376735210 897827478 /nfs/dbraw/zinc/82/74/78/897827478.db2.gz BIOMITYKYYDMKC-LBPRGKRZSA-N 2 0 294.399 -0.558 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001376801022 897849722 /nfs/dbraw/zinc/84/97/22/897849722.db2.gz MHJPDMHLQDTLSC-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)C(=O)NC1CC1 ZINC001376804588 897854338 /nfs/dbraw/zinc/85/43/38/897854338.db2.gz CWJXQSLXQGNHMO-WDEREUQCSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H]1CCCNC1=O ZINC001376816135 897856007 /nfs/dbraw/zinc/85/60/07/897856007.db2.gz ZLYSERDLEBVKRU-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001376933625 897894126 /nfs/dbraw/zinc/89/41/26/897894126.db2.gz WBPRMHRCQIOZKO-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)CCC1 ZINC001376930068 897895127 /nfs/dbraw/zinc/89/51/27/897895127.db2.gz AHVFCILZTRBHLM-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001376970307 897904955 /nfs/dbraw/zinc/90/49/55/897904955.db2.gz XTTGYWRZWKAKLT-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001377020664 897915811 /nfs/dbraw/zinc/91/58/11/897915811.db2.gz REBBTEJXBAJDIV-NEPJUHHUSA-N 2 0 284.404 -0.408 20 0 CBADRP C[C@@H](CCNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC(N)=O ZINC001377074965 897926636 /nfs/dbraw/zinc/92/66/36/897926636.db2.gz DTWUBOZFNFSHTC-NSHDSACASA-N 2 0 284.404 -0.312 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001377266625 897995746 /nfs/dbraw/zinc/99/57/46/897995746.db2.gz OFKINYBFBZGSMC-OLZOCXBDSA-N 2 0 298.431 -0.149 20 0 CBADRP CN(C)C(=O)C[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001377300079 898001348 /nfs/dbraw/zinc/00/13/48/898001348.db2.gz MQHOIFIKJMOJJO-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@H](C(=O)NCC[N@H+](CC)[C@@H]1CCNC1=O)[NH+](C)C ZINC001377317906 898010929 /nfs/dbraw/zinc/01/09/29/898010929.db2.gz WHGFCPYWVAITRW-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC(N)=O ZINC001377425468 898045367 /nfs/dbraw/zinc/04/53/67/898045367.db2.gz AJDMQUBGZYCGGN-NWDGAFQWSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)C(=O)NC)[NH+](C)C ZINC001377450678 898052597 /nfs/dbraw/zinc/05/25/97/898052597.db2.gz RMFDJBLWAQXRDQ-QJPTWQEYSA-N 2 0 286.420 -0.055 20 0 CBADRP CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001377449950 898052931 /nfs/dbraw/zinc/05/29/31/898052931.db2.gz KXJDKRWBZJIZHN-QJPTWQEYSA-N 2 0 284.404 -0.301 20 0 CBADRP CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001377449035 898055198 /nfs/dbraw/zinc/05/51/98/898055198.db2.gz FVHNEHDUHAIXNH-GARJFASQSA-N 2 0 272.393 -0.315 20 0 CBADRP CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001377485425 898061676 /nfs/dbraw/zinc/06/16/76/898061676.db2.gz XHNPYGMTXNLFSZ-YNEHKIRRSA-N 2 0 298.431 -0.055 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001377488724 898064197 /nfs/dbraw/zinc/06/41/97/898064197.db2.gz QPBJFGBAJZKPTE-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cnnn1C ZINC001377522244 898076199 /nfs/dbraw/zinc/07/61/99/898076199.db2.gz BPQHVMSWFZOXOF-LBPRGKRZSA-N 2 0 294.403 -0.105 20 0 CBADRP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001377580436 898093616 /nfs/dbraw/zinc/09/36/16/898093616.db2.gz LFPDCQLANGYLOO-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001377597091 898101369 /nfs/dbraw/zinc/10/13/69/898101369.db2.gz JGBYHVFAXOYJSW-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001377596369 898103247 /nfs/dbraw/zinc/10/32/47/898103247.db2.gz HLDAKVSQTARHJQ-WDEREUQCSA-N 2 0 270.377 -0.750 20 0 CBADRP CN(CC(N)=O)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001377652009 898110421 /nfs/dbraw/zinc/11/04/21/898110421.db2.gz FUZNLPHLNNXWCG-GFCCVEGCSA-N 2 0 284.404 -0.264 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CC(=O)NC)C1 ZINC001377758108 898130192 /nfs/dbraw/zinc/13/01/92/898130192.db2.gz KAUYMFWLXOBENS-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001377804784 898139903 /nfs/dbraw/zinc/13/99/03/898139903.db2.gz AHMIECHBSGMKOT-RWMBFGLXSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001377841283 898146122 /nfs/dbraw/zinc/14/61/22/898146122.db2.gz WCJDNJGFWMMZBB-MNOVXSKESA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]CC(N)=O ZINC001377864716 898153127 /nfs/dbraw/zinc/15/31/27/898153127.db2.gz HMQWEUNNIMUUHP-RYUDHWBXSA-N 2 0 296.415 -0.170 20 0 CBADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001378038890 898211236 /nfs/dbraw/zinc/21/12/36/898211236.db2.gz CNGOMKYWZZQIHF-AVGNSLFASA-N 2 0 285.388 -0.770 20 0 CBADRP CNC(=O)CN1CC[C@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001378148932 898249824 /nfs/dbraw/zinc/24/98/24/898249824.db2.gz MRJMJFIFDUIOJC-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP CCNC(=O)CN(C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001378145303 898253659 /nfs/dbraw/zinc/25/36/59/898253659.db2.gz QOHGSEXIQQAAKQ-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCN([C@H](C)C(=O)N(C)C)C1 ZINC001378135021 898254376 /nfs/dbraw/zinc/25/43/76/898254376.db2.gz GEAVLVMUMLAGAA-CHWSQXEVSA-N 2 0 298.431 -0.006 20 0 CBADRP C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)[N@H+](C)CCO ZINC001378179734 898264975 /nfs/dbraw/zinc/26/49/75/898264975.db2.gz XFTNWGKCSBREOJ-LBPRGKRZSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]C[C@@H](O)COC ZINC001378303276 898306867 /nfs/dbraw/zinc/30/68/67/898306867.db2.gz PXHCTYPVZQXGAM-JHJVBQTASA-N 2 0 287.404 -0.428 20 0 CBADRP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]C[C@@H](O)COC ZINC001378321963 898311356 /nfs/dbraw/zinc/31/13/56/898311356.db2.gz VRNQECDVZCOIHK-CHWSQXEVSA-N 2 0 299.415 -0.426 20 0 CBADRP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]C[C@@H](O)COC ZINC001378321969 898313928 /nfs/dbraw/zinc/31/39/28/898313928.db2.gz VRNQECDVZCOIHK-QWHCGFSZSA-N 2 0 299.415 -0.426 20 0 CBADRP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@@H](C)C(N)=O ZINC001378336617 898316166 /nfs/dbraw/zinc/31/61/66/898316166.db2.gz HXWZWMBBUCTCGY-QWRGUYRKSA-N 2 0 272.393 -0.315 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001378344183 898322318 /nfs/dbraw/zinc/32/23/18/898322318.db2.gz OZSWNOHVJOMSDZ-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H](NC(=O)COC1CC[NH+](C)CC1)C1C[NH+](CCO)C1 ZINC001378571693 898355273 /nfs/dbraw/zinc/35/52/73/898355273.db2.gz IBPLDXFTIMINMF-GFCCVEGCSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+][C@@H](C)C(N)=O ZINC001378599063 898364572 /nfs/dbraw/zinc/36/45/72/898364572.db2.gz MIQVBHXDFFSBIB-QWRGUYRKSA-N 2 0 284.404 -0.456 20 0 CBADRP C[C@@H](CNC(=O)Cc1c[nH]cn1)C[NH2+][C@@H]1CCCNC1=O ZINC001378614493 898370463 /nfs/dbraw/zinc/37/04/63/898370463.db2.gz PVXRKEJSZGVTQU-ZYHUDNBSSA-N 2 0 293.371 -0.427 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001378636285 898372184 /nfs/dbraw/zinc/37/21/84/898372184.db2.gz FDTUIENIULQMPS-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+][C@@H]1CCNC1=O ZINC001378634256 898373603 /nfs/dbraw/zinc/37/36/03/898373603.db2.gz AJCSYXYMMKJFAS-NWDGAFQWSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001378725444 898394877 /nfs/dbraw/zinc/39/48/77/898394877.db2.gz OJANEPBIBFSLKP-SYQHCUMBSA-N 2 0 281.400 -0.386 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001378818085 898416427 /nfs/dbraw/zinc/41/64/27/898416427.db2.gz ZQIFSGJMBPVZMG-NEPJUHHUSA-N 2 0 298.431 -0.101 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001378854057 898422654 /nfs/dbraw/zinc/42/26/54/898422654.db2.gz XPFWUFIFFFOBHX-JHJVBQTASA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001378858045 898422829 /nfs/dbraw/zinc/42/28/29/898422829.db2.gz ZVAYMDAZUJSNQZ-NWDGAFQWSA-N 2 0 284.404 -0.537 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001378906749 898429444 /nfs/dbraw/zinc/42/94/44/898429444.db2.gz WHZCPLYTBGSAMQ-NSHDSACASA-N 2 0 284.404 -0.265 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001454740228 914252627 /nfs/dbraw/zinc/25/26/27/914252627.db2.gz OGEJWZOIKFNUBK-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CC(N)=O)C1 ZINC001379148682 898473518 /nfs/dbraw/zinc/47/35/18/898473518.db2.gz JOCLONGEUTUVTE-CHWSQXEVSA-N 2 0 296.415 -0.265 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2[C@H](CC[NH+]2CC(N)=O)C1 ZINC001379148687 898474295 /nfs/dbraw/zinc/47/42/95/898474295.db2.gz JOCLONGEUTUVTE-OLZOCXBDSA-N 2 0 296.415 -0.265 20 0 CBADRP CC(C)[NH2+]C[C@H](O)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001379208465 898504819 /nfs/dbraw/zinc/50/48/19/898504819.db2.gz KAPAGBSYTWASGV-LBPRGKRZSA-N 2 0 297.403 -0.467 20 0 CBADRP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)on1 ZINC001379227985 898514428 /nfs/dbraw/zinc/51/44/28/898514428.db2.gz MSZNZVUSABHSJP-WCQYABFASA-N 2 0 296.371 -0.356 20 0 CBADRP Cc1nn(C)cc1C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001379237595 898516434 /nfs/dbraw/zinc/51/64/34/898516434.db2.gz IICDQUFGWYHVMI-CYBMUJFWSA-N 2 0 297.403 -0.753 20 0 CBADRP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001379260178 898527398 /nfs/dbraw/zinc/52/73/98/898527398.db2.gz RBRKCJPKGBWTNS-VXGBXAGGSA-N 2 0 298.387 -0.110 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1conc1C)[NH+](C)C ZINC001379259152 898529310 /nfs/dbraw/zinc/52/93/10/898529310.db2.gz OFWZMSLSGNHMEC-OLZOCXBDSA-N 2 0 298.387 -0.110 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnns2)C1 ZINC001379280508 898537250 /nfs/dbraw/zinc/53/72/50/898537250.db2.gz DGJALRQPOLEUGU-UWVGGRQHSA-N 2 0 299.400 -0.944 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccccn2)C1 ZINC001379290165 898540507 /nfs/dbraw/zinc/54/05/07/898540507.db2.gz QYPWVNGQZPBEIM-GXTWGEPZSA-N 2 0 292.383 -0.400 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001379356155 898572254 /nfs/dbraw/zinc/57/22/54/898572254.db2.gz GFAVTOSZJWQNGL-JHJVBQTASA-N 2 0 298.431 -0.055 20 0 CBADRP C[C@@H]([NH2+]CC[C@H](C)NC(=O)C[NH+]1CCCC1)C(N)=O ZINC001379361849 898576761 /nfs/dbraw/zinc/57/67/61/898576761.db2.gz BNGCMWMNLOCBTK-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001379361848 898576843 /nfs/dbraw/zinc/57/68/43/898576843.db2.gz BNGCMWMNLOCBTK-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001379386489 898593964 /nfs/dbraw/zinc/59/39/64/898593964.db2.gz VEZPMEJQOCEJBP-UPJWGTAASA-N 2 0 298.431 -0.102 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001379413525 898607521 /nfs/dbraw/zinc/60/75/21/898607521.db2.gz HSVAUMKSURCIRX-GHMZBOCLSA-N 2 0 272.393 -0.443 20 0 CBADRP COC[C@H](C)[NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001379434704 898613893 /nfs/dbraw/zinc/61/38/93/898613893.db2.gz LWOPOBHAXZGPKE-STQMWFEESA-N 2 0 299.415 -0.284 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001379451267 898617751 /nfs/dbraw/zinc/61/77/51/898617751.db2.gz OKNQVHHUHPEYNG-GFCCVEGCSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001379466971 898625007 /nfs/dbraw/zinc/62/50/07/898625007.db2.gz NXAFJGWSOBJPIJ-LLVKDONJSA-N 2 0 272.393 -0.491 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001379513726 898650275 /nfs/dbraw/zinc/65/02/75/898650275.db2.gz GIPRLYJTTNWEOA-DMDPSCGWSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001379518832 898654815 /nfs/dbraw/zinc/65/48/15/898654815.db2.gz JTSWRCHHAKXHSI-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001379536143 898662272 /nfs/dbraw/zinc/66/22/72/898662272.db2.gz NSPRRTDRZTUYRP-LBPRGKRZSA-N 2 0 298.431 -0.053 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001380027530 898790767 /nfs/dbraw/zinc/79/07/67/898790767.db2.gz SLPYHRRHUMRGFX-OLZOCXBDSA-N 2 0 297.399 -0.720 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001380129994 898816117 /nfs/dbraw/zinc/81/61/17/898816117.db2.gz DUOFKAYCZFBGOR-GHMZBOCLSA-N 2 0 282.388 -0.547 20 0 CBADRP CN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001380166481 898826781 /nfs/dbraw/zinc/82/67/81/898826781.db2.gz ACUUNWBFSXDJAU-UHFFFAOYSA-N 2 0 298.431 -0.005 20 0 CBADRP CN1CC[C@H]([NH2+]C[C@H]2CCCN2C(=O)CC[NH+](C)C)C1=O ZINC001380283127 898853266 /nfs/dbraw/zinc/85/32/66/898853266.db2.gz GDEXBEUTNYMQFP-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001380289374 898853436 /nfs/dbraw/zinc/85/34/36/898853436.db2.gz JMIHUCJVZBRERE-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001380539420 898891450 /nfs/dbraw/zinc/89/14/50/898891450.db2.gz UMRLWPKGGPRNGG-DZGCQCFKSA-N 2 0 299.415 -0.594 20 0 CBADRP CNC(=O)C[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001381131259 899001362 /nfs/dbraw/zinc/00/13/62/899001362.db2.gz UWGPBDBAQMATME-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001381437054 899052074 /nfs/dbraw/zinc/05/20/74/899052074.db2.gz KPKGMKNGNPMUNP-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001381448361 899055877 /nfs/dbraw/zinc/05/58/77/899055877.db2.gz MGOAJANGBQDBBJ-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)[C@H]1CCNC1=O ZINC001381535943 899076840 /nfs/dbraw/zinc/07/68/40/899076840.db2.gz NOAGRJATTDETRF-AAEUAGOBSA-N 2 0 296.415 -0.204 20 0 CBADRP COC[C@@H](O)C[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001381806510 899114593 /nfs/dbraw/zinc/11/45/93/899114593.db2.gz PTYSXUQXBAHCFA-YPMHNXCESA-N 2 0 287.404 -0.618 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001381913548 899128049 /nfs/dbraw/zinc/12/80/49/899128049.db2.gz DNTRYFFMTHTKLA-ZSOGYDGISA-N 2 0 281.400 -0.241 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001381919545 899130827 /nfs/dbraw/zinc/13/08/27/899130827.db2.gz DEDSUODMLDUGJS-ZDEQEGDKSA-N 2 0 296.415 -0.504 20 0 CBADRP C[C@@H]([NH2+]CCO)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001381937348 899130927 /nfs/dbraw/zinc/13/09/27/899130927.db2.gz SUJXUCCIVKJISW-NEPJUHHUSA-N 2 0 273.377 -0.864 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001381969663 899137660 /nfs/dbraw/zinc/13/76/60/899137660.db2.gz BUVDXFCDAKFQNU-SRVKXCTJSA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@H]1CCCNC1=O ZINC001382112383 899157690 /nfs/dbraw/zinc/15/76/90/899157690.db2.gz LRPBYNSHRJGQSC-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC(N)=O ZINC001382119977 899161411 /nfs/dbraw/zinc/16/14/11/899161411.db2.gz KSHDBKZOROOWTB-LLVKDONJSA-N 2 0 286.420 -0.114 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001382216530 899199177 /nfs/dbraw/zinc/19/91/77/899199177.db2.gz HYJNOADQHDVVKH-CHWSQXEVSA-N 2 0 287.404 -0.834 20 0 CBADRP CC[NH2+][C@@H](CO)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001382220235 899199321 /nfs/dbraw/zinc/19/93/21/899199321.db2.gz WLOUQPDHROIIPQ-GFCCVEGCSA-N 2 0 287.404 -0.569 20 0 CBADRP C[NH+]1CCC(OCC(=O)NC[C@@H](CO)[NH2+]CCF)CC1 ZINC001382256232 899216810 /nfs/dbraw/zinc/21/68/10/899216810.db2.gz BNFQPWSNICOBHZ-NSHDSACASA-N 2 0 291.367 -0.867 20 0 CBADRP CN(C[C@H](O)C[NH2+]C[C@H]1CCOC1)C(=O)C[NH+]1CCCC1 ZINC001382442290 899298928 /nfs/dbraw/zinc/29/89/28/899298928.db2.gz LYAVMFZTJIRVEK-ZIAGYGMSSA-N 2 0 299.415 -0.472 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001382581646 899334683 /nfs/dbraw/zinc/33/46/83/899334683.db2.gz HIEJNDRRCXDEGJ-BPCQOVAHSA-N 2 0 296.415 -0.204 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001382581649 899335254 /nfs/dbraw/zinc/33/52/54/899335254.db2.gz HIEJNDRRCXDEGJ-WXRRBKDZSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C(=O)CC[NH+](C)C ZINC001384743537 899525652 /nfs/dbraw/zinc/52/56/52/899525652.db2.gz RHKQMDHYMQLFIK-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001385075741 899543296 /nfs/dbraw/zinc/54/32/96/899543296.db2.gz LWJKGJXFAWOQIL-UHFFFAOYSA-N 2 0 298.431 -0.049 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001385279187 899558571 /nfs/dbraw/zinc/55/85/71/899558571.db2.gz NYJDJGKEXUWWLQ-UHFFFAOYSA-N 2 0 298.431 -0.049 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001385346306 899563527 /nfs/dbraw/zinc/56/35/27/899563527.db2.gz LEQUTKZLXVTKDB-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001385940939 899604253 /nfs/dbraw/zinc/60/42/53/899604253.db2.gz MFRXZRRGNUJOOB-AVGNSLFASA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@@H](C(=O)N(C)CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001386829905 899718543 /nfs/dbraw/zinc/71/85/43/899718543.db2.gz UKNTWIHAKJJHAE-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001387031931 899748193 /nfs/dbraw/zinc/74/81/93/899748193.db2.gz OURUAZLIVAQHEJ-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)CC[NH+](C)C ZINC001387752826 899826486 /nfs/dbraw/zinc/82/64/86/899826486.db2.gz YEFYEKFVICOTQH-GFCCVEGCSA-N 2 0 284.404 -0.536 20 0 CBADRP C[NH+](C)CCCC(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001387796398 899832055 /nfs/dbraw/zinc/83/20/55/899832055.db2.gz GARVNHQBXDNRLQ-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@H](C(=O)N1CC(NC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001387809109 899835287 /nfs/dbraw/zinc/83/52/87/899835287.db2.gz CZIPMJRPFCJRRT-GFCCVEGCSA-N 2 0 284.404 -0.395 20 0 CBADRP CC[C@@H](C(=O)NCCN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001388115643 899868923 /nfs/dbraw/zinc/86/89/23/899868923.db2.gz FQOKEBKTIWYGJX-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@@H](C(=O)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001388115730 899869621 /nfs/dbraw/zinc/86/96/21/899869621.db2.gz GHMZWRRSHDORQN-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001388701016 899902708 /nfs/dbraw/zinc/90/27/08/899902708.db2.gz UBMCPFZKJSEVPQ-UTUOFQBUSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001389769334 900067264 /nfs/dbraw/zinc/06/72/64/900067264.db2.gz BFHIYAVQKIKKQD-QWHCGFSZSA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001389769360 900068063 /nfs/dbraw/zinc/06/80/63/900068063.db2.gz BFHIYAVQKIKKQD-STQMWFEESA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001389902408 900089256 /nfs/dbraw/zinc/08/92/56/900089256.db2.gz WGVXBNPPPVDGMG-OBJOEFQTSA-N 2 0 298.431 -0.102 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001389989026 900102060 /nfs/dbraw/zinc/10/20/60/900102060.db2.gz MAZGZARDKSEIBS-BETUJISGSA-N 2 0 296.415 -0.156 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001390015180 900104145 /nfs/dbraw/zinc/10/41/45/900104145.db2.gz YYUOLWNUZHGSPN-MXWKQRLJSA-N 2 0 270.377 -0.561 20 0 CBADRP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001390374013 900148393 /nfs/dbraw/zinc/14/83/93/900148393.db2.gz PLDQAUBYVJVLDR-YNEHKIRRSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001390433867 900158087 /nfs/dbraw/zinc/15/80/87/900158087.db2.gz OAHMYPLCVREMCF-NWDGAFQWSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001390462737 900167321 /nfs/dbraw/zinc/16/73/21/900167321.db2.gz NHNZOJWRQFPICZ-GHMZBOCLSA-N 2 0 284.404 -0.443 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001390459648 900167338 /nfs/dbraw/zinc/16/73/38/900167338.db2.gz MKIKSEDQDOSVOW-QJPTWQEYSA-N 2 0 273.377 -0.818 20 0 CBADRP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC(N)=O ZINC001390471558 900171231 /nfs/dbraw/zinc/17/12/31/900171231.db2.gz AQCGYMGJZXZQKG-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H](C)C(=O)N(C)C ZINC001390510069 900178736 /nfs/dbraw/zinc/17/87/36/900178736.db2.gz OEIWDOKNXDBIOF-NEPJUHHUSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001390515394 900180278 /nfs/dbraw/zinc/18/02/78/900180278.db2.gz CABKTZGJLWDHKE-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](C)[NH2+]CCN1CCNC1=O)[NH+](C)C ZINC001390516263 900180686 /nfs/dbraw/zinc/18/06/86/900180686.db2.gz XNTYITACLVMPFB-RYUDHWBXSA-N 2 0 299.419 -0.554 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001390548663 900187402 /nfs/dbraw/zinc/18/74/02/900187402.db2.gz CPDKYLDHJDPQFK-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001390588754 900194625 /nfs/dbraw/zinc/19/46/25/900194625.db2.gz BWEGGJIHCFYXMQ-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CC(C)(C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001390599159 900197396 /nfs/dbraw/zinc/19/73/96/900197396.db2.gz ULCBJUSDHSPYTF-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001390667531 900206535 /nfs/dbraw/zinc/20/65/35/900206535.db2.gz VBNMJYGAVVXANR-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](CCNC(=O)COC1CC[NH+](C)CC1)[NH2+]CCO ZINC001390711113 900211653 /nfs/dbraw/zinc/21/16/53/900211653.db2.gz GBMWZVQJMAESIW-LBPRGKRZSA-N 2 0 287.404 -0.426 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001390720737 900216287 /nfs/dbraw/zinc/21/62/87/900216287.db2.gz ZPJWFDYNXIFRKU-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]Cc1nnnn1C ZINC001390732293 900221408 /nfs/dbraw/zinc/22/14/08/900221408.db2.gz NZZQEMQUSUCYKC-NSHDSACASA-N 2 0 297.407 -0.465 20 0 CBADRP C[N@H+](CCCO)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001390838247 900262061 /nfs/dbraw/zinc/26/20/61/900262061.db2.gz AZORDOKHSFSILE-UHFFFAOYSA-N 2 0 287.404 -0.472 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@H]1CCCN1CC(N)=O)[NH+](C)C ZINC001391063019 900297534 /nfs/dbraw/zinc/29/75/34/900297534.db2.gz RMCVWDVJLYIZHS-WCQYABFASA-N 2 0 284.404 -0.362 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1CCCN1[C@H]1CCNC1=O ZINC001391060604 900299001 /nfs/dbraw/zinc/29/90/01/900299001.db2.gz IVXWOPYVXYFRSS-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP CCCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391098379 900307555 /nfs/dbraw/zinc/30/75/55/900307555.db2.gz OTEWYMWECXDUMG-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001391100705 900308402 /nfs/dbraw/zinc/30/84/02/900308402.db2.gz VVCVQHUTAFMJNO-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC)[NH+](C)C ZINC001391211667 900339071 /nfs/dbraw/zinc/33/90/71/900339071.db2.gz RCXDJUVPKVAJKC-GHMZBOCLSA-N 2 0 272.393 -0.491 20 0 CBADRP CC[C@H]([NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001391226461 900344126 /nfs/dbraw/zinc/34/41/26/900344126.db2.gz IOTRFVHKRQKVKA-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001391228921 900347765 /nfs/dbraw/zinc/34/77/65/900347765.db2.gz SBGANVHQGMSYEA-XQQFMLRXSA-N 2 0 298.431 -0.101 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001391369902 900361113 /nfs/dbraw/zinc/36/11/13/900361113.db2.gz FCCUDBWCQZPXNX-MJBXVCDLSA-N 2 0 299.415 -0.332 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC001391353014 900363186 /nfs/dbraw/zinc/36/31/86/900363186.db2.gz JXXSIZNJGUMAHP-NSHDSACASA-N 2 0 270.377 -0.796 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001391543662 900406990 /nfs/dbraw/zinc/40/69/90/900406990.db2.gz GGMVFBLNNOSWPW-ZOBORPQBSA-N 2 0 299.415 -0.476 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001391883444 900459779 /nfs/dbraw/zinc/45/97/79/900459779.db2.gz UXIKINMNWABVNK-MNOVXSKESA-N 2 0 270.377 -0.832 20 0 CBADRP CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001391948903 900470077 /nfs/dbraw/zinc/47/00/77/900470077.db2.gz JETFSIDSMDOPCE-GHMZBOCLSA-N 2 0 297.407 -0.608 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001392066877 900504966 /nfs/dbraw/zinc/50/49/66/900504966.db2.gz WKKHUSDTSULFIA-YPMHNXCESA-N 2 0 296.415 -0.489 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)C(N)=O ZINC001392125327 900518766 /nfs/dbraw/zinc/51/87/66/900518766.db2.gz WRAIJWFMKZKQAT-WDEREUQCSA-N 2 0 272.393 -0.362 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392133221 900519550 /nfs/dbraw/zinc/51/95/50/900519550.db2.gz MAYAOCYNNVIQFK-NWDGAFQWSA-N 2 0 294.403 -0.297 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001392225879 900536540 /nfs/dbraw/zinc/53/65/40/900536540.db2.gz HHKVMIPZUMCPKU-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001392394951 900603382 /nfs/dbraw/zinc/60/33/82/900603382.db2.gz RAUDKQYFHPUUIN-VXGBXAGGSA-N 2 0 273.377 -0.959 20 0 CBADRP C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001392413749 900608623 /nfs/dbraw/zinc/60/86/23/900608623.db2.gz WKYLDOOOYDIJAR-QWHCGFSZSA-N 2 0 287.404 -0.834 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001392413748 900608746 /nfs/dbraw/zinc/60/87/46/900608746.db2.gz WKYLDOOOYDIJAR-OLZOCXBDSA-N 2 0 287.404 -0.834 20 0 CBADRP CO[C@H](C)C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001392415821 900610887 /nfs/dbraw/zinc/61/08/87/900610887.db2.gz AKLTXZNYGQNFOI-NEPJUHHUSA-N 2 0 273.377 -0.816 20 0 CBADRP CO[C@@H](C)C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001392415833 900612046 /nfs/dbraw/zinc/61/20/46/900612046.db2.gz AKLTXZNYGQNFOI-RYUDHWBXSA-N 2 0 273.377 -0.816 20 0 CBADRP C[C@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001392430874 900613913 /nfs/dbraw/zinc/61/39/13/900613913.db2.gz BGVUDBHZDXUBGW-VXGBXAGGSA-N 2 0 294.399 -0.545 20 0 CBADRP CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001392425990 900614587 /nfs/dbraw/zinc/61/45/87/900614587.db2.gz LYACECKSKXVUDO-NWDGAFQWSA-N 2 0 273.377 -0.959 20 0 CBADRP C[C@@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001392434055 900617271 /nfs/dbraw/zinc/61/72/71/900617271.db2.gz GSGKUBTZJQGJQI-QWRGUYRKSA-N 2 0 282.388 -0.560 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(=O)N(C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001392437394 900617625 /nfs/dbraw/zinc/61/76/25/900617625.db2.gz BWMOCRUVIUQHQX-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@@H](C(=O)N(CC)CC[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C ZINC001392455138 900622659 /nfs/dbraw/zinc/62/26/59/900622659.db2.gz RNXNANQMYNLRFZ-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001392466051 900626749 /nfs/dbraw/zinc/62/67/49/900626749.db2.gz LOTOSFVYLWQXHR-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001392504673 900640473 /nfs/dbraw/zinc/64/04/73/900640473.db2.gz MLYZJXHCNHUVAS-RHYQMDGZSA-N 2 0 284.404 -0.315 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001392506057 900641762 /nfs/dbraw/zinc/64/17/62/900641762.db2.gz SHUCXVDYJVMQCD-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001392597877 900669706 /nfs/dbraw/zinc/66/97/06/900669706.db2.gz RZMLGRRXCOJKNG-AXFHLTTASA-N 2 0 270.377 -0.561 20 0 CBADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001392618785 900676984 /nfs/dbraw/zinc/67/69/84/900676984.db2.gz MZVKAHYQGNDZKF-WCQYABFASA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001392618782 900678541 /nfs/dbraw/zinc/67/85/41/900678541.db2.gz MZVKAHYQGNDZKF-AAEUAGOBSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001392609252 900678744 /nfs/dbraw/zinc/67/87/44/900678744.db2.gz VGYURMWOOUVQQW-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1CC1)C(N)=O ZINC001392760987 900718690 /nfs/dbraw/zinc/71/86/90/900718690.db2.gz ALDDAWDATIBAAU-ZWNOBZJWSA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001392797603 900726766 /nfs/dbraw/zinc/72/67/66/900726766.db2.gz FTOTZYNNJCTEKN-CHWSQXEVSA-N 2 0 296.415 -0.301 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001392814324 900731890 /nfs/dbraw/zinc/73/18/90/900731890.db2.gz UOCDXZUUDIJODD-OLZOCXBDSA-N 2 0 296.415 -0.489 20 0 CBADRP CC[C@H](C(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001392822464 900733937 /nfs/dbraw/zinc/73/39/37/900733937.db2.gz GZELUMCKVNDZHJ-RWMBFGLXSA-N 2 0 298.431 -0.101 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+][C@@H](C)C(N)=O)CC1 ZINC001392905937 900757455 /nfs/dbraw/zinc/75/74/55/900757455.db2.gz GQYDVERDGZXQGW-NWDGAFQWSA-N 2 0 296.415 -0.027 20 0 CBADRP CCNC(=O)C[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001392911628 900758183 /nfs/dbraw/zinc/75/81/83/900758183.db2.gz MYTYYTYPWKMKLQ-UHFFFAOYSA-N 2 0 296.415 -0.155 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CCn3cncn3)CC2)C1 ZINC001392957403 900769454 /nfs/dbraw/zinc/76/94/54/900769454.db2.gz VVCGMLZXUIXVAM-LBPRGKRZSA-N 2 0 292.387 -0.532 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001393050833 900785585 /nfs/dbraw/zinc/78/55/85/900785585.db2.gz BSVZEXHEMCBAGF-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001393055723 900787244 /nfs/dbraw/zinc/78/72/44/900787244.db2.gz ZZLQKAJHXXGTFM-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+][C@H](C)C(N)=O ZINC001393053224 900787627 /nfs/dbraw/zinc/78/76/27/900787627.db2.gz LNECXPOSRHJAEF-NEPJUHHUSA-N 2 0 284.404 -0.219 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O)[NH+](C)C ZINC001393058905 900787836 /nfs/dbraw/zinc/78/78/36/900787836.db2.gz QWTGGSWWSYCLSG-YPMHNXCESA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCO)CCOCC2)CC[N@@H+]1C ZINC001393213341 900803069 /nfs/dbraw/zinc/80/30/69/900803069.db2.gz VXWINVAXOPPEGC-CHWSQXEVSA-N 2 0 299.415 -0.426 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@]2(O)CC[NH+](CCCO)C2)C1 ZINC001393279750 900825412 /nfs/dbraw/zinc/82/54/12/900825412.db2.gz FIEMNAKTTYCDSY-UKRRQHHQSA-N 2 0 299.415 -0.736 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001393380951 900849769 /nfs/dbraw/zinc/84/97/69/900849769.db2.gz BNKOHHGHRWXDFY-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001393388734 900851246 /nfs/dbraw/zinc/85/12/46/900851246.db2.gz QAEDXMMYOZHSOV-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001393535159 900871635 /nfs/dbraw/zinc/87/16/35/900871635.db2.gz WAGTYEXWVRMNEH-STQMWFEESA-N 2 0 299.415 -0.284 20 0 CBADRP C[C@@H](O)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001393700900 900895387 /nfs/dbraw/zinc/89/53/87/900895387.db2.gz APZWIGOHNOAWRD-CHWSQXEVSA-N 2 0 299.415 -0.284 20 0 CBADRP C[C@H](O)C[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001393700908 900896452 /nfs/dbraw/zinc/89/64/52/900896452.db2.gz APZWIGOHNOAWRD-STQMWFEESA-N 2 0 299.415 -0.284 20 0 CBADRP CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)C(N)=O)[NH+](C)C ZINC001393815522 900912045 /nfs/dbraw/zinc/91/20/45/900912045.db2.gz KFYZGHGYCGLDGD-QJPTWQEYSA-N 2 0 286.420 -0.069 20 0 CBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1cnnn1C ZINC001393968991 900942292 /nfs/dbraw/zinc/94/22/92/900942292.db2.gz JJPMSNFJLVXGDK-WDEREUQCSA-N 2 0 282.392 -0.250 20 0 CBADRP CN(C)C(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001394336615 901014703 /nfs/dbraw/zinc/01/47/03/901014703.db2.gz ICUCHWBRKIVXJJ-XYYAHUGASA-N 2 0 296.415 -0.680 20 0 CBADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001394373450 901018956 /nfs/dbraw/zinc/01/89/56/901018956.db2.gz ZXKWXODQBULCKM-FIQHERPVSA-N 2 0 282.388 -0.561 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001394376274 901019987 /nfs/dbraw/zinc/01/99/87/901019987.db2.gz RNXVPFWBTPGRPV-AVGNSLFASA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001394373449 901021457 /nfs/dbraw/zinc/02/14/57/901021457.db2.gz ZXKWXODQBULCKM-DDHJBXDOSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC(N)=O ZINC001394507120 901043424 /nfs/dbraw/zinc/04/34/24/901043424.db2.gz SYUPOXUNJGTIAH-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H]1CCCN(C)C1=O ZINC001394519665 901043519 /nfs/dbraw/zinc/04/35/19/901043519.db2.gz MQSNOPPJZNQQPA-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP Cn1cncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001394573025 901063597 /nfs/dbraw/zinc/06/35/97/901063597.db2.gz BFJHVWWFWSTWTE-AAEUAGOBSA-N 2 0 295.387 -0.919 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]C/C=C\Cl ZINC001394584276 901073329 /nfs/dbraw/zinc/07/33/29/901073329.db2.gz WVYUVVMJDWUDSY-HUPZIKASSA-N 2 0 275.780 -0.100 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccnn1C)[NH+](C)C ZINC001394622137 901094192 /nfs/dbraw/zinc/09/41/92/901094192.db2.gz SSDVUYYZJXMZPZ-WCQYABFASA-N 2 0 297.403 -0.673 20 0 CBADRP C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001394627642 901095922 /nfs/dbraw/zinc/09/59/22/901095922.db2.gz CYYCWUXZBRSDOV-YPMHNXCESA-N 2 0 287.404 -0.834 20 0 CBADRP C[C@H](O)C[NH2+][C@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001394627626 901097256 /nfs/dbraw/zinc/09/72/56/901097256.db2.gz CYYCWUXZBRSDOV-AAEUAGOBSA-N 2 0 287.404 -0.834 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001394691497 901119602 /nfs/dbraw/zinc/11/96/02/901119602.db2.gz NFJQCGQGAUAPSU-XUJVJEKNSA-N 2 0 296.415 -0.075 20 0 CBADRP Cc1ncc(C[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C)o1 ZINC001394759760 901142051 /nfs/dbraw/zinc/14/20/51/901142051.db2.gz LKHXQFNZACEOFA-GFCCVEGCSA-N 2 0 298.387 -0.156 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001395172943 901185551 /nfs/dbraw/zinc/18/55/51/901185551.db2.gz SWGMRDHQCIVXCE-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001397097459 901362984 /nfs/dbraw/zinc/36/29/84/901362984.db2.gz MATFBGWYRMOCCN-IGQOVBAYSA-N 2 0 299.415 -0.570 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001397352490 901390063 /nfs/dbraw/zinc/39/00/63/901390063.db2.gz LTOLLFBCLYAHMX-JYAVWHMHSA-N 2 0 296.415 -0.537 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001397700208 901447239 /nfs/dbraw/zinc/44/72/39/901447239.db2.gz RGVAGALFESKNQQ-IJLUTSLNSA-N 2 0 284.404 -0.314 20 0 CBADRP CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001397925002 901478605 /nfs/dbraw/zinc/47/86/05/901478605.db2.gz AHYHKHXEKUTBEA-QWHCGFSZSA-N 2 0 296.415 -0.536 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001398366182 901531845 /nfs/dbraw/zinc/53/18/45/901531845.db2.gz QLCLHQQVZLJOFG-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)(C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1)[NH+]1CCCC1 ZINC001398436516 901538047 /nfs/dbraw/zinc/53/80/47/901538047.db2.gz IJCJHJMFZVGJJS-GFCCVEGCSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)N(C)C)C1CC1)[NH+](C)C ZINC001398444669 901539596 /nfs/dbraw/zinc/53/95/96/901539596.db2.gz HSCIKZDGYIPGIP-OLZOCXBDSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001398443691 901541167 /nfs/dbraw/zinc/54/11/67/901541167.db2.gz GDLVGOINBHUERR-JSGCOSHPSA-N 2 0 298.431 -0.197 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001398443687 901541273 /nfs/dbraw/zinc/54/12/73/901541273.db2.gz GDLVGOINBHUERR-GXTWGEPZSA-N 2 0 298.431 -0.197 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001398536543 901553826 /nfs/dbraw/zinc/55/38/26/901553826.db2.gz KWVTVKHSXNIGSM-GMTAPVOTSA-N 2 0 288.367 -0.612 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001398554313 901557626 /nfs/dbraw/zinc/55/76/26/901557626.db2.gz FQUYMVUADFILTQ-SRVKXCTJSA-N 2 0 282.388 -0.689 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001398555686 901558742 /nfs/dbraw/zinc/55/87/42/901558742.db2.gz OPZFKWVGQCEJNM-XYPYZODXSA-N 2 0 291.417 -0.781 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001398616031 901576925 /nfs/dbraw/zinc/57/69/25/901576925.db2.gz FDIJKYWRHGXWED-FRRDWIJNSA-N 2 0 299.415 -0.285 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001398632280 901578044 /nfs/dbraw/zinc/57/80/44/901578044.db2.gz ZCECHJDIBDVJQJ-KXNHARMFSA-N 2 0 282.388 -0.548 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC(NC(=O)CC[NH+](C)CC)C1 ZINC001398697996 901591221 /nfs/dbraw/zinc/59/12/21/901591221.db2.gz VBHKUYXVXZMPQO-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1CN(C(=O)CC[NH+](C)C)C1 ZINC001398793035 901602529 /nfs/dbraw/zinc/60/25/29/901602529.db2.gz BYLFSTHTXJSNRK-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NCC1CC1 ZINC001398889658 901623068 /nfs/dbraw/zinc/62/30/68/901623068.db2.gz SVMUYVTVKNPBIS-DGCLKSJQSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001398961270 901640999 /nfs/dbraw/zinc/64/09/99/901640999.db2.gz RGASNZSQQNZGPB-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@H]1CCNC1=O ZINC001399022579 901652528 /nfs/dbraw/zinc/65/25/28/901652528.db2.gz FRJBCWDRJMXPBW-QWRGUYRKSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1cnnn1C ZINC001399031501 901654382 /nfs/dbraw/zinc/65/43/82/901654382.db2.gz MRUQGRSJQBMZJB-LLVKDONJSA-N 2 0 294.403 -0.249 20 0 CBADRP CCn1nncc1C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001399108866 901665012 /nfs/dbraw/zinc/66/50/12/901665012.db2.gz KHHCWLQMZHKZIO-NEPJUHHUSA-N 2 0 294.403 -0.156 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cnnn1C ZINC001399130249 901673767 /nfs/dbraw/zinc/67/37/67/901673767.db2.gz ZIPPRQLURZLYEH-LLVKDONJSA-N 2 0 280.376 -0.495 20 0 CBADRP CN1CCC[C@@H]([NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001399187759 901679996 /nfs/dbraw/zinc/67/99/96/901679996.db2.gz VJCMKASXWQNWPJ-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001399177156 901681284 /nfs/dbraw/zinc/68/12/84/901681284.db2.gz VSJCTMDQYOYPMV-QWRGUYRKSA-N 2 0 270.377 -0.691 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001399226066 901683613 /nfs/dbraw/zinc/68/36/13/901683613.db2.gz AKSLKSBHISZNDT-RYUDHWBXSA-N 2 0 294.399 -0.593 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001399249759 901688906 /nfs/dbraw/zinc/68/89/06/901688906.db2.gz WZJNYOJWRVTKPQ-GXTWGEPZSA-N 2 0 298.431 -0.243 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001399286764 901692224 /nfs/dbraw/zinc/69/22/24/901692224.db2.gz ISAOCJXEDDMIHL-RYUDHWBXSA-N 2 0 284.404 -0.265 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC001399273162 901692328 /nfs/dbraw/zinc/69/23/28/901692328.db2.gz NJFZYFLSLJVESX-VXGBXAGGSA-N 2 0 296.415 -0.170 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC(N)=O ZINC001399338524 901702834 /nfs/dbraw/zinc/70/28/34/901702834.db2.gz GTJYYMYQIOLGDJ-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001399416346 901713319 /nfs/dbraw/zinc/71/33/19/901713319.db2.gz OJJRTKKHPFPIOX-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)CC[NH+](C)C ZINC001399670654 901771013 /nfs/dbraw/zinc/77/10/13/901771013.db2.gz MAPDDXJGRBMIRE-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001399955163 901843387 /nfs/dbraw/zinc/84/33/87/901843387.db2.gz RXEDVQPKAZGPHA-STQMWFEESA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+][C@H]2CCCNC2=O)CC[N@@H+]1C ZINC001400053514 901865837 /nfs/dbraw/zinc/86/58/37/901865837.db2.gz NUHYYAPYPGCWPA-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001400063725 901871511 /nfs/dbraw/zinc/87/15/11/901871511.db2.gz FYDRHLSJKSPXRV-MNOVXSKESA-N 2 0 270.377 -0.737 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001400227070 901899033 /nfs/dbraw/zinc/89/90/33/901899033.db2.gz PSEHCUXDEBTQFG-NWDGAFQWSA-N 2 0 284.404 -0.408 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC(=O)NC)C1)[NH+](C)C ZINC001400229759 901901055 /nfs/dbraw/zinc/90/10/55/901901055.db2.gz WJBYHORUBSVHDC-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001400760217 902008727 /nfs/dbraw/zinc/00/87/27/902008727.db2.gz YELSTNKPPZTPLS-GFCCVEGCSA-N 2 0 296.415 -0.441 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001400896168 902031447 /nfs/dbraw/zinc/03/14/47/902031447.db2.gz CBUXTFGLZIRHRE-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001401052837 902046080 /nfs/dbraw/zinc/04/60/80/902046080.db2.gz OOTKYBLTRWPGQC-HAQNSBGRSA-N 2 0 284.404 -0.170 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC(N)=O)CC1 ZINC001401072169 902046961 /nfs/dbraw/zinc/04/69/61/902046961.db2.gz KHKSIOLXCRLZLP-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CCCC2)C1 ZINC001401190851 902077260 /nfs/dbraw/zinc/07/72/60/902077260.db2.gz ZKSHUJKNLILQEY-LLVKDONJSA-N 2 0 282.388 -0.558 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001401485750 902131497 /nfs/dbraw/zinc/13/14/97/902131497.db2.gz JLUJTJOXZYSWMM-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001401485761 902133487 /nfs/dbraw/zinc/13/34/87/902133487.db2.gz JLUJTJOXZYSWMM-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001401493238 902138134 /nfs/dbraw/zinc/13/81/34/902138134.db2.gz NRBNERWEFCEWCJ-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP Cc1ncoc1C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001401557287 902165096 /nfs/dbraw/zinc/16/50/96/902165096.db2.gz CCAZEXWFLWLIDV-LBPRGKRZSA-N 2 0 296.371 -0.354 20 0 CBADRP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001401616524 902191061 /nfs/dbraw/zinc/19/10/61/902191061.db2.gz CZTMLZPZMRNPPC-NQBHXWOUSA-N 2 0 294.403 -0.250 20 0 CBADRP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001401641447 902203677 /nfs/dbraw/zinc/20/36/77/902203677.db2.gz WKJQFTCVUGHULY-GHMZBOCLSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@@H]([NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001401684499 902228905 /nfs/dbraw/zinc/22/89/05/902228905.db2.gz CTOQVUXREXAYPP-WDEREUQCSA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCCNC1=O)[NH+](C)C ZINC001401688753 902230058 /nfs/dbraw/zinc/23/00/58/902230058.db2.gz VDFRFIQGODHBJU-XQQFMLRXSA-N 2 0 298.431 -0.055 20 0 CBADRP CC[C@H]([NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001401684498 902230357 /nfs/dbraw/zinc/23/03/57/902230357.db2.gz CTOQVUXREXAYPP-QWRGUYRKSA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401718895 902246167 /nfs/dbraw/zinc/24/61/67/902246167.db2.gz CDWRNIAYBKHYQL-NWDGAFQWSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001401860670 902291775 /nfs/dbraw/zinc/29/17/75/902291775.db2.gz GOXUSQJZTKXHHL-YPMHNXCESA-N 2 0 281.400 -0.053 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001401860480 902294472 /nfs/dbraw/zinc/29/44/72/902294472.db2.gz DQOHALOPMDMXGG-QWRGUYRKSA-N 2 0 270.377 -0.704 20 0 CBADRP CCNC(=O)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001401967878 902328392 /nfs/dbraw/zinc/32/83/92/902328392.db2.gz ULNPYCGPMKYVTH-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001401975399 902330617 /nfs/dbraw/zinc/33/06/17/902330617.db2.gz HIGDPPYEDQKNEX-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP Cn1nncc1C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001401983065 902331857 /nfs/dbraw/zinc/33/18/57/902331857.db2.gz BEWYCPNZAQFLNH-UHFFFAOYSA-N 2 0 292.387 -0.351 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1(NCc2nnnn2C)CC1 ZINC001401987786 902332370 /nfs/dbraw/zinc/33/23/70/902332370.db2.gz SBNTVCHWYDVCRJ-UHFFFAOYSA-N 2 0 295.391 -0.711 20 0 CBADRP COC[C@@H](O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001401984404 902332545 /nfs/dbraw/zinc/33/25/45/902332545.db2.gz IEGLNGVZJQRDGS-LBPRGKRZSA-N 2 0 285.388 -0.672 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001401983889 902332945 /nfs/dbraw/zinc/33/29/45/902332945.db2.gz CWVSDMKKPKIZRG-UHFFFAOYSA-N 2 0 270.377 -0.689 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001402086127 902353253 /nfs/dbraw/zinc/35/32/53/902353253.db2.gz ZTWCPFANHGCVOQ-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CC(N)=O)C1CCCC1 ZINC001402097350 902356653 /nfs/dbraw/zinc/35/66/53/902356653.db2.gz LRZJLAPDUBLBFD-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001402167480 902373640 /nfs/dbraw/zinc/37/36/40/902373640.db2.gz FMRFWVNAWNWFSM-AWEZNQCLSA-N 2 0 284.404 -0.358 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402225888 902387412 /nfs/dbraw/zinc/38/74/12/902387412.db2.gz HFRHDPQTKWMJLZ-OLZOCXBDSA-N 2 0 297.399 -0.720 20 0 CBADRP CN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001402445635 902452457 /nfs/dbraw/zinc/45/24/57/902452457.db2.gz RLUNLGDCSHUZAF-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC)C2)CC[N@@H+]1C ZINC001402439269 902453066 /nfs/dbraw/zinc/45/30/66/902453066.db2.gz SNGWXAYFFAHZQN-RWMBFGLXSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001402462038 902455050 /nfs/dbraw/zinc/45/50/50/902455050.db2.gz LGZRZPQSMNEQMK-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001402611141 902489582 /nfs/dbraw/zinc/48/95/82/902489582.db2.gz OBWODEVDHXDQFX-FRRDWIJNSA-N 2 0 299.415 -0.428 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001402604641 902489812 /nfs/dbraw/zinc/48/98/12/902489812.db2.gz DWIAEEWKLUFWKO-BETUJISGSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001402615789 902490845 /nfs/dbraw/zinc/49/08/45/902490845.db2.gz UJDNBYZUVDCWJY-TUAOUCFPSA-N 2 0 282.388 -0.547 20 0 CBADRP CNC(=O)C[N@H+](C)CCCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001402628364 902493703 /nfs/dbraw/zinc/49/37/03/902493703.db2.gz DHALUOIPCHKILP-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001402636860 902494141 /nfs/dbraw/zinc/49/41/41/902494141.db2.gz ISAXIDKLYGHDER-BETUJISGSA-N 2 0 296.415 -0.025 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001402681874 902503255 /nfs/dbraw/zinc/50/32/55/902503255.db2.gz LHQXJZLLZJJIFD-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](O)C[NH+]1CC(N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001402783885 902519754 /nfs/dbraw/zinc/51/97/54/902519754.db2.gz QIFDRTAIYMGEMQ-CYBMUJFWSA-N 2 0 298.431 -0.853 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC(C)([NH2+]CC(N)=O)CC1 ZINC001402794097 902522561 /nfs/dbraw/zinc/52/25/61/902522561.db2.gz ZWTKPVAZQYHCAN-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001402858178 902542739 /nfs/dbraw/zinc/54/27/39/902542739.db2.gz CJQRZLFMSGQUIE-NWDGAFQWSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H](C)C(N)=O ZINC001403040618 902599877 /nfs/dbraw/zinc/59/98/77/902599877.db2.gz JOGSIKYMYOJVTJ-UWVGGRQHSA-N 2 0 270.377 -0.561 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C ZINC001403056271 902601906 /nfs/dbraw/zinc/60/19/06/902601906.db2.gz WSOGVACXIRVZCS-GFCCVEGCSA-N 2 0 286.420 -0.101 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001403057585 902602666 /nfs/dbraw/zinc/60/26/66/902602666.db2.gz CKLCOFNHRQQEBB-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)C1CC[NH+](C)CC1 ZINC001403084047 902608413 /nfs/dbraw/zinc/60/84/13/902608413.db2.gz REOFTHYANVQUAJ-UHFFFAOYSA-N 2 0 298.431 -0.112 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001403083431 902608472 /nfs/dbraw/zinc/60/84/72/902608472.db2.gz LFDKDBYTQBJDJE-MNOVXSKESA-N 2 0 272.393 -0.491 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001403107070 902617137 /nfs/dbraw/zinc/61/71/37/902617137.db2.gz RXUIPCMPECKQNZ-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001403199728 902648714 /nfs/dbraw/zinc/64/87/14/902648714.db2.gz WZJAZHLSJIEZMR-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001403240881 902659397 /nfs/dbraw/zinc/65/93/97/902659397.db2.gz FSVWAWFDQVLBFL-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC(N)=O)C2)CCC1 ZINC001403279463 902661777 /nfs/dbraw/zinc/66/17/77/902661777.db2.gz COLPQBXRJVMVMI-NEPJUHHUSA-N 2 0 296.415 -0.027 20 0 CBADRP CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001403407402 902683751 /nfs/dbraw/zinc/68/37/51/902683751.db2.gz IRFQMAPSSYGZIT-CYDGBPFRSA-N 2 0 296.415 -0.171 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001403433084 902689984 /nfs/dbraw/zinc/68/99/84/902689984.db2.gz NNENDIUEIHJMOA-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001458410838 914648830 /nfs/dbraw/zinc/64/88/30/914648830.db2.gz GNFPERJIAMVVAE-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001403458267 902695873 /nfs/dbraw/zinc/69/58/73/902695873.db2.gz FBVDNRWEPVHOEP-JHJVBQTASA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001458410836 914649769 /nfs/dbraw/zinc/64/97/69/914649769.db2.gz GNFPERJIAMVVAE-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnnn1C ZINC001403532544 902715945 /nfs/dbraw/zinc/71/59/45/902715945.db2.gz URXBBJWIDPNTRE-WCQYABFASA-N 2 0 294.403 -0.154 20 0 CBADRP CC[C@H](C(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001403543656 902724359 /nfs/dbraw/zinc/72/43/59/902724359.db2.gz YUFFWPCWEDWEPB-NEPJUHHUSA-N 2 0 284.404 -0.362 20 0 CBADRP CNC(=O)[C@@H](C)N(C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001403578520 902736949 /nfs/dbraw/zinc/73/69/49/902736949.db2.gz SVUBVPVCUXMCRC-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)CN(C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001403576437 902740110 /nfs/dbraw/zinc/74/01/10/902740110.db2.gz LYXKABYJZIQNJF-UHFFFAOYSA-N 2 0 270.377 -0.735 20 0 CBADRP C[C@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]CC(=O)N(C)C ZINC001403598471 902746297 /nfs/dbraw/zinc/74/62/97/902746297.db2.gz ZGBZQNJAEBIIQE-GFCCVEGCSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001403619441 902752238 /nfs/dbraw/zinc/75/22/38/902752238.db2.gz YRBZJZYSIZDNIB-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@H](F)C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001403729913 902824355 /nfs/dbraw/zinc/82/43/55/902824355.db2.gz QBEROKVEGJJMTE-NWDGAFQWSA-N 2 0 287.379 -0.103 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001403817313 902857005 /nfs/dbraw/zinc/85/70/05/902857005.db2.gz PCDDSSROJGXBCP-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCCNC1=O ZINC001403938340 902911471 /nfs/dbraw/zinc/91/14/71/902911471.db2.gz GVWPXYZVMYHSLH-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C)C1 ZINC001403993870 902922757 /nfs/dbraw/zinc/92/27/57/902922757.db2.gz VUROWZOXVYONIN-NEPJUHHUSA-N 2 0 298.431 -0.066 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001404004267 902925030 /nfs/dbraw/zinc/92/50/30/902925030.db2.gz KPAGODZNURUSFH-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)[C@@H]1CCCC[NH+]1C ZINC001404039617 902929785 /nfs/dbraw/zinc/92/97/85/902929785.db2.gz XJXJOSGOFLPWTG-OLZOCXBDSA-N 2 0 287.404 -0.786 20 0 CBADRP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)[C@@H]1CCCC[NH+]1C ZINC001404039620 902930454 /nfs/dbraw/zinc/93/04/54/902930454.db2.gz XJXJOSGOFLPWTG-STQMWFEESA-N 2 0 287.404 -0.786 20 0 CBADRP C[NH+]1CCC(OCC(=O)NCC[N@H+](CCO)C2CC2)CC1 ZINC001404261827 902961335 /nfs/dbraw/zinc/96/13/35/902961335.db2.gz FSORAHYOARMKRY-UHFFFAOYSA-N 2 0 299.415 -0.330 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H]1CCCNC1=O ZINC001404312829 902970998 /nfs/dbraw/zinc/97/09/98/902970998.db2.gz ACPUTLXKKOZNJU-GFCCVEGCSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001458796914 914677648 /nfs/dbraw/zinc/67/76/48/914677648.db2.gz NKQMWVGXNXOSFA-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001405069548 903077610 /nfs/dbraw/zinc/07/76/10/903077610.db2.gz RNKYWSPMZMLAPU-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001405069550 903081140 /nfs/dbraw/zinc/08/11/40/903081140.db2.gz RNKYWSPMZMLAPU-MJBXVCDLSA-N 2 0 299.415 -0.474 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001405625929 903190927 /nfs/dbraw/zinc/19/09/27/903190927.db2.gz HQTXIINDMOJRGS-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001405717569 903208565 /nfs/dbraw/zinc/20/85/65/903208565.db2.gz LFGBILWEXPMIAZ-VXGBXAGGSA-N 2 0 284.404 -0.443 20 0 CBADRP NC(=O)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001405774785 903217462 /nfs/dbraw/zinc/21/74/62/903217462.db2.gz RRKWPQFLOBYWHU-UHFFFAOYSA-N 2 0 294.399 -0.414 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001405849939 903239103 /nfs/dbraw/zinc/23/91/03/903239103.db2.gz OZIYIXPGCSIZEV-DGCLKSJQSA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(N)=O ZINC001406031259 903254845 /nfs/dbraw/zinc/25/48/45/903254845.db2.gz HBODKBXLDZAFBD-LBPRGKRZSA-N 2 0 284.404 -0.456 20 0 CBADRP CC(C)[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]CC(N)=O ZINC001406046713 903259428 /nfs/dbraw/zinc/25/94/28/903259428.db2.gz UCMCBCPFFGYMAB-AAEUAGOBSA-N 2 0 286.420 -0.212 20 0 CBADRP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccccn1)[NH+](C)C ZINC001406241315 903322898 /nfs/dbraw/zinc/32/28/98/903322898.db2.gz KSXXBGWOUPNONZ-ZIAGYGMSSA-N 2 0 294.399 -0.012 20 0 CBADRP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)on1 ZINC001406281746 903339729 /nfs/dbraw/zinc/33/97/29/903339729.db2.gz HWYGPMDGYBMLRQ-NWDGAFQWSA-N 2 0 296.371 -0.499 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](O)C[NH2+]CC1CC1 ZINC001406283871 903343606 /nfs/dbraw/zinc/34/36/06/903343606.db2.gz JOLSMQIRZPCJMV-JSGCOSHPSA-N 2 0 299.415 -0.569 20 0 CBADRP C[C@@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001406308197 903351086 /nfs/dbraw/zinc/35/10/86/903351086.db2.gz FLYJTYCNJPDUTI-QWRGUYRKSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)CC[NH+](C)C ZINC001406407997 903396045 /nfs/dbraw/zinc/39/60/45/903396045.db2.gz QOONQQCQGICDLF-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001406513832 903422858 /nfs/dbraw/zinc/42/28/58/903422858.db2.gz NIFVSWCEIDWEGZ-AAEUAGOBSA-N 2 0 287.404 -0.570 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001406516191 903423121 /nfs/dbraw/zinc/42/31/21/903423121.db2.gz CXGSEKAWQRPBID-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001406561981 903435442 /nfs/dbraw/zinc/43/54/42/903435442.db2.gz ONBFDWOBWLBZIF-WCQYABFASA-N 2 0 296.415 -0.441 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001406915955 903508881 /nfs/dbraw/zinc/50/88/81/903508881.db2.gz GHIULCSISWDFAI-LBPRGKRZSA-N 2 0 294.399 -0.687 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001406960892 903517484 /nfs/dbraw/zinc/51/74/84/903517484.db2.gz QTXJIUXQZFKOOP-RYUDHWBXSA-N 2 0 294.399 -0.545 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1)C(N)=O ZINC001406957672 903518739 /nfs/dbraw/zinc/51/87/39/903518739.db2.gz KZVFGDQCDMRJCZ-QWRGUYRKSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001407116226 903546385 /nfs/dbraw/zinc/54/63/85/903546385.db2.gz MMVCVZVYFCKCLW-IJLUTSLNSA-N 2 0 282.388 -0.608 20 0 CBADRP O=C(NC[C@@]1(O)CC[N@H+](CCCF)C1)C12CC[NH+](CC1)C2 ZINC001407374291 903584938 /nfs/dbraw/zinc/58/49/38/903584938.db2.gz QMUJISKYKFFPNG-HNNXBMFYSA-N 2 0 299.390 -0.005 20 0 CBADRP CO[C@H](C)C[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001407378653 903586617 /nfs/dbraw/zinc/58/66/17/903586617.db2.gz DLWHLSILLBJXFN-HIFRSBDPSA-N 2 0 299.415 -0.330 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CCO)C1)[NH+](C)C ZINC001407393047 903592159 /nfs/dbraw/zinc/59/21/59/903592159.db2.gz RSASDRVJVZIADP-GXTWGEPZSA-N 2 0 287.404 -0.882 20 0 CBADRP C[C@@H](O)CCCN1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001407474596 903614767 /nfs/dbraw/zinc/61/47/67/903614767.db2.gz VIHNVKBEZYVNKW-CYBMUJFWSA-N 2 0 299.415 -0.594 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001407537646 903625913 /nfs/dbraw/zinc/62/59/13/903625913.db2.gz HLXGWOSFHYKTNG-RYUDHWBXSA-N 2 0 284.404 -0.362 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001407534881 903625959 /nfs/dbraw/zinc/62/59/59/903625959.db2.gz IMQMZHWPLPELDX-NWDGAFQWSA-N 2 0 284.404 -0.502 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001407547606 903626996 /nfs/dbraw/zinc/62/69/96/903626996.db2.gz QPMYXHMYRIWHNJ-QWRGUYRKSA-N 2 0 270.377 -0.750 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001408092299 903709291 /nfs/dbraw/zinc/70/92/91/903709291.db2.gz LNKVWXCKKIWLDX-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001408100759 903712833 /nfs/dbraw/zinc/71/28/33/903712833.db2.gz OFPAUNNIUQXMME-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001408183714 903728467 /nfs/dbraw/zinc/72/84/67/903728467.db2.gz FNPYJYZCQDBTFA-GFCCVEGCSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+][C@@H]1CCNC1=O ZINC001408220749 903730579 /nfs/dbraw/zinc/73/05/79/903730579.db2.gz NEXCIQAECCSUMX-QJPTWQEYSA-N 2 0 282.388 -0.547 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001408214938 903732609 /nfs/dbraw/zinc/73/26/09/903732609.db2.gz FOCYALPYBMCYHD-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001408231837 903734787 /nfs/dbraw/zinc/73/47/87/903734787.db2.gz OVVLRENETDHFTL-WDEREUQCSA-N 2 0 297.407 -0.465 20 0 CBADRP CC[NH+](CC)CC(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001409054940 903839477 /nfs/dbraw/zinc/83/94/77/903839477.db2.gz KZHLWQIVLSMZOG-UHFFFAOYSA-N 2 0 284.404 -0.393 20 0 CBADRP CC[C@H](C(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001409070750 903843255 /nfs/dbraw/zinc/84/32/55/903843255.db2.gz UFVGMKOSDLAEOW-CHWSQXEVSA-N 2 0 296.415 -0.252 20 0 CBADRP C[NH+](C)CCC(=O)NC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001409103267 903850923 /nfs/dbraw/zinc/85/09/23/903850923.db2.gz ZUOOPLJUHXLBDE-UHFFFAOYSA-N 2 0 294.399 -0.639 20 0 CBADRP C[NH+](C)CCC(=O)NCC1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001409176513 903863900 /nfs/dbraw/zinc/86/39/00/903863900.db2.gz CKDXHIJNRWGMNK-CYBMUJFWSA-N 2 0 296.415 -0.393 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001410208600 904045023 /nfs/dbraw/zinc/04/50/23/904045023.db2.gz VYWIKYXIKKDHPR-HAQNSBGRSA-N 2 0 294.399 -0.416 20 0 CBADRP C[C@H](CN(C)C(=O)CCc1nccn1C)[NH2+][C@H](C)C(N)=O ZINC001410436970 904096737 /nfs/dbraw/zinc/09/67/37/904096737.db2.gz XAMTUOZUTAHUHR-GHMZBOCLSA-N 2 0 295.387 -0.337 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@H]1CCN(C)C1=O ZINC001410445563 904103226 /nfs/dbraw/zinc/10/32/26/904103226.db2.gz WIZOCTXKCQFKQD-RYUDHWBXSA-N 2 0 284.404 -0.395 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@H](CO)[NH2+]C[C@@H]2CCOC2)CCC1 ZINC001410652271 904150314 /nfs/dbraw/zinc/15/03/14/904150314.db2.gz JDLVKZHITVPNQZ-QWHCGFSZSA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@H](C(=O)NC[C@@H](CO)[NH2+]CCO)[NH+]1CCCCCC1 ZINC001410732390 904173050 /nfs/dbraw/zinc/17/30/50/904173050.db2.gz SPHWOFWOECWNSC-OLZOCXBDSA-N 2 0 287.404 -0.690 20 0 CBADRP CC[C@H](F)C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001410780298 904182589 /nfs/dbraw/zinc/18/25/89/904182589.db2.gz DJXLFGHSZUAZFZ-NWDGAFQWSA-N 2 0 275.368 -0.103 20 0 CBADRP CC[C@@H](F)C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001410780297 904183849 /nfs/dbraw/zinc/18/38/49/904183849.db2.gz DJXLFGHSZUAZFZ-NEPJUHHUSA-N 2 0 275.368 -0.103 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CN1C(=O)Cc1cnc[nH]1 ZINC001410839489 904191593 /nfs/dbraw/zinc/19/15/93/904191593.db2.gz ACWZXESRWOVIRJ-ZYHUDNBSSA-N 2 0 293.371 -0.381 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001410888137 904199909 /nfs/dbraw/zinc/19/99/09/904199909.db2.gz RMMAYQWATAAMRE-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001410920398 904203600 /nfs/dbraw/zinc/20/36/00/904203600.db2.gz YIVZFZSCMHTVHB-WFASDCNBSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@H]([NH2+][C@H]2CCNC2=O)C(C)(C)C1 ZINC001410999321 904222517 /nfs/dbraw/zinc/22/25/17/904222517.db2.gz WMISTDMNIMEVIV-RYUDHWBXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@H]([NH2+][C@@H]2CCNC2=O)C(C)(C)C1 ZINC001410999306 904223722 /nfs/dbraw/zinc/22/37/22/904223722.db2.gz WMISTDMNIMEVIV-NEPJUHHUSA-N 2 0 296.415 -0.347 20 0 CBADRP COCC[N@H+](CCO)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001411213687 904261384 /nfs/dbraw/zinc/26/13/84/904261384.db2.gz HAIKOABJZCMJOC-GFCCVEGCSA-N 2 0 273.377 -0.863 20 0 CBADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Cn1nccc1N ZINC001413268042 904986869 /nfs/dbraw/zinc/98/68/69/904986869.db2.gz SOUYQDAIYPTDJH-LBPRGKRZSA-N 2 0 296.419 -0.147 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001417076673 905859264 /nfs/dbraw/zinc/85/92/64/905859264.db2.gz NYJKJDANIPTFHH-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001417758271 906040984 /nfs/dbraw/zinc/04/09/84/906040984.db2.gz SFBIFYOTBUJSOE-NDBYEHHHSA-N 2 0 296.415 -0.301 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001417758274 906042486 /nfs/dbraw/zinc/04/24/86/906042486.db2.gz SFBIFYOTBUJSOE-RVMXOQNASA-N 2 0 296.415 -0.301 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001417776563 906045065 /nfs/dbraw/zinc/04/50/65/906045065.db2.gz VMNAHJMOTBQUQI-UPJWGTAASA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001417779167 906051446 /nfs/dbraw/zinc/05/14/46/906051446.db2.gz UDSMDZVULGMFHV-RWMBFGLXSA-N 2 0 296.415 -0.441 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001417811975 906059198 /nfs/dbraw/zinc/05/91/98/906059198.db2.gz GXVNIAVDLIKJMW-TUAOUCFPSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001417815875 906059880 /nfs/dbraw/zinc/05/98/80/906059880.db2.gz ULMLREYWWDSPCP-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001418021362 906138351 /nfs/dbraw/zinc/13/83/51/906138351.db2.gz LIYXUZNENLCVLF-GFCCVEGCSA-N 2 0 293.371 -0.461 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001418090702 906164710 /nfs/dbraw/zinc/16/47/10/906164710.db2.gz YZCQUBLUEUEKRN-FRRDWIJNSA-N 2 0 296.415 -0.158 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001418092803 906164877 /nfs/dbraw/zinc/16/48/77/906164877.db2.gz ROIKXCXXXQNSQQ-PEBLQZBPSA-N 2 0 299.415 -0.429 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001418241454 906239056 /nfs/dbraw/zinc/23/90/56/906239056.db2.gz DMMXTXHYIVJELF-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H]1CCCN(C)C1=O ZINC001418264628 906248145 /nfs/dbraw/zinc/24/81/45/906248145.db2.gz CVFAPYPFZAKBMH-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)N1CCC1 ZINC001418274743 906255523 /nfs/dbraw/zinc/25/55/23/906255523.db2.gz YFNUECZFSBMXIS-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001418328444 906283946 /nfs/dbraw/zinc/28/39/46/906283946.db2.gz NSCWIUTVMVCQRF-QWHCGFSZSA-N 2 0 294.399 -0.735 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001418347033 906292667 /nfs/dbraw/zinc/29/26/67/906292667.db2.gz CDIUIRHJVUYMLF-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001418351629 906295468 /nfs/dbraw/zinc/29/54/68/906295468.db2.gz WZJNYOJWRVTKPQ-OCCSQVGLSA-N 2 0 298.431 -0.243 20 0 CBADRP C[C@H](CCNC(=O)Cc1ncc[nH]1)[NH2+][C@H](C)C(=O)N(C)C ZINC001418432374 906319834 /nfs/dbraw/zinc/31/98/34/906319834.db2.gz XCEJUNBBQYTMLV-GHMZBOCLSA-N 2 0 295.387 -0.087 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001418432249 906319883 /nfs/dbraw/zinc/31/98/83/906319883.db2.gz HZHGAFHSNQORND-QWRGUYRKSA-N 2 0 270.377 -0.832 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001418658469 906438599 /nfs/dbraw/zinc/43/85/99/906438599.db2.gz MQOUAQPHVCOJBK-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001418677431 906446116 /nfs/dbraw/zinc/44/61/16/906446116.db2.gz VNXGBSODPYPXKO-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001418701562 906450608 /nfs/dbraw/zinc/45/06/08/906450608.db2.gz KBIRWIPMIZSFRM-FDYHWXHSSA-N 2 0 296.415 -0.314 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001418691374 906450636 /nfs/dbraw/zinc/45/06/36/906450636.db2.gz ALIDVPVBSPUORG-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)CCC[NH+](C)C ZINC001418827132 906489794 /nfs/dbraw/zinc/48/97/94/906489794.db2.gz LHHWCVLZLCWOBL-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001418934853 906520465 /nfs/dbraw/zinc/52/04/65/906520465.db2.gz MFABOODNRZANMX-QWHCGFSZSA-N 2 0 296.415 -0.406 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC(C[N@H+](C)CC(N)=O)CC1 ZINC001418946472 906524284 /nfs/dbraw/zinc/52/42/84/906524284.db2.gz MAIMGHGAIAKORS-UHFFFAOYSA-N 2 0 284.404 -0.406 20 0 CBADRP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCn1cncn1 ZINC001419170522 906624768 /nfs/dbraw/zinc/62/47/68/906624768.db2.gz ALECAXUGVMXXEG-OLZOCXBDSA-N 2 0 294.403 -0.143 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cnnn1C ZINC001419176131 906629733 /nfs/dbraw/zinc/62/97/33/906629733.db2.gz HWGFUSUQFZFMIM-AAEUAGOBSA-N 2 0 294.403 -0.106 20 0 CBADRP CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC(N)=O ZINC001419201672 906637027 /nfs/dbraw/zinc/63/70/27/906637027.db2.gz SRUGXVARPPNKBI-NEPJUHHUSA-N 2 0 282.388 -0.702 20 0 CBADRP CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC(N)=O ZINC001419201676 906638404 /nfs/dbraw/zinc/63/84/04/906638404.db2.gz SRUGXVARPPNKBI-RYUDHWBXSA-N 2 0 282.388 -0.702 20 0 CBADRP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC(N)=O ZINC001419223449 906640053 /nfs/dbraw/zinc/64/00/53/906640053.db2.gz QETUMDOQTATOBX-SDDRHHMPSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001419315267 906662255 /nfs/dbraw/zinc/66/22/55/906662255.db2.gz AKQKONQKDQFKOU-AAEUAGOBSA-N 2 0 298.431 -0.055 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001419311027 906662576 /nfs/dbraw/zinc/66/25/76/906662576.db2.gz UUOXZTOPJFSBOF-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H]([NH2+]C[C@@](C)(NC(=O)CC[NH+](C)C)C1CC1)C(N)=O ZINC001419355516 906670345 /nfs/dbraw/zinc/67/03/45/906670345.db2.gz SXRGOTWNYOQXKH-IINYFYTJSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001419422433 906682983 /nfs/dbraw/zinc/68/29/83/906682983.db2.gz HVOAEFLORZBVFS-CYDGBPFRSA-N 2 0 296.415 -0.301 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001419424332 906685162 /nfs/dbraw/zinc/68/51/62/906685162.db2.gz WHHWDOSGWKKRSW-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)C[NH2+][C@H](C)C(N)=O ZINC001419465074 906695830 /nfs/dbraw/zinc/69/58/30/906695830.db2.gz DDYZTOGIXOMTFM-WDEREUQCSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CC(=O)N(C)C ZINC001419500905 906703942 /nfs/dbraw/zinc/70/39/42/906703942.db2.gz GOSFNNIHNKSHJX-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001419490229 906705096 /nfs/dbraw/zinc/70/50/96/906705096.db2.gz YIZFTAPFTUPAPU-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001419509619 906709423 /nfs/dbraw/zinc/70/94/23/906709423.db2.gz NMPWSYZSBYJULB-UTUOFQBUSA-N 2 0 282.388 -0.689 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001419529084 906715753 /nfs/dbraw/zinc/71/57/53/906715753.db2.gz PAOJVKDUHRSNJQ-CHWSQXEVSA-N 2 0 299.415 -0.569 20 0 CBADRP CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001419544222 906716291 /nfs/dbraw/zinc/71/62/91/906716291.db2.gz LKUMTANRABHTMH-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001419572558 906733901 /nfs/dbraw/zinc/73/39/01/906733901.db2.gz SNWMYWNAQMHBLE-CHWSQXEVSA-N 2 0 296.415 -0.358 20 0 CBADRP C[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)CC1 ZINC001419617998 906740591 /nfs/dbraw/zinc/74/05/91/906740591.db2.gz KFHZCZSIHBUGLK-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@H]21)[NH+](C)C ZINC001419644464 906750181 /nfs/dbraw/zinc/75/01/81/906750181.db2.gz LFZXWDKMODXUIR-MLGHIDQZSA-N 2 0 296.415 -0.363 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]21)[NH+](C)C ZINC001419644468 906753219 /nfs/dbraw/zinc/75/32/19/906753219.db2.gz LFZXWDKMODXUIR-OBPIAQAESA-N 2 0 296.415 -0.363 20 0 CBADRP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC)[NH+](C)C ZINC001419679933 906766283 /nfs/dbraw/zinc/76/62/83/906766283.db2.gz IRTAIMLNGSZIIM-GHMZBOCLSA-N 2 0 272.393 -0.491 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CCC[NH+](C)C)C(N)=O ZINC001419693995 906770098 /nfs/dbraw/zinc/77/00/98/906770098.db2.gz AEFMLSOLEGPWNU-WDEREUQCSA-N 2 0 272.393 -0.362 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001419755510 906808755 /nfs/dbraw/zinc/80/87/55/906808755.db2.gz QYHLYXHDXPGSHM-YPMHNXCESA-N 2 0 286.420 -0.245 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001419755505 906809246 /nfs/dbraw/zinc/80/92/46/906809246.db2.gz QYHLYXHDXPGSHM-AAEUAGOBSA-N 2 0 286.420 -0.245 20 0 CBADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H]1CCCNC1=O ZINC001419778407 906810533 /nfs/dbraw/zinc/81/05/33/906810533.db2.gz PXRQAOKKQIPSBR-DGCLKSJQSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H]1CCNC1=O ZINC001419780601 906812556 /nfs/dbraw/zinc/81/25/56/906812556.db2.gz VJEHFFKCFBFZJY-MNOVXSKESA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@H](C)C(N)=O ZINC001419834238 906826701 /nfs/dbraw/zinc/82/67/01/906826701.db2.gz VYYQTVDQIWOQIX-GHMZBOCLSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H]1CCN(C)C1=O ZINC001419831506 906829531 /nfs/dbraw/zinc/82/95/31/906829531.db2.gz GNPCTTZPWJZKGY-QWRGUYRKSA-N 2 0 270.377 -0.737 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001419891732 906849394 /nfs/dbraw/zinc/84/93/94/906849394.db2.gz CNCWJDXDLWVVHP-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001419962279 906873148 /nfs/dbraw/zinc/87/31/48/906873148.db2.gz IQDLCURUSQISKD-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N[C@@H]2C[NH+](C)CC2(C)C)C1 ZINC001420011730 906894007 /nfs/dbraw/zinc/89/40/07/906894007.db2.gz JVLPGXOPXMBIHB-CYBMUJFWSA-N 2 0 282.432 -0.064 20 0 CBADRP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)C(N)=O ZINC001420167005 906978101 /nfs/dbraw/zinc/97/81/01/906978101.db2.gz ZEAVICMMEMQERQ-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)c1)[NH+](C)C ZINC001420172025 906986977 /nfs/dbraw/zinc/98/69/77/906986977.db2.gz IHQAFUDXVAJLOU-STQMWFEESA-N 2 0 297.403 -0.673 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CCn2cncn2)CC[N@@H+]1C ZINC001420219933 907027022 /nfs/dbraw/zinc/02/70/22/907027022.db2.gz PCSPCGYGMWYQBA-CHWSQXEVSA-N 2 0 294.403 -0.334 20 0 CBADRP COC[C@H](O)C[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001420219255 907027132 /nfs/dbraw/zinc/02/71/32/907027132.db2.gz VSBOLCNBCVUYGV-KGLIPLIRSA-N 2 0 299.415 -0.617 20 0 CBADRP COC[C@H](O)C[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001420242362 907039762 /nfs/dbraw/zinc/03/97/62/907039762.db2.gz DMSBPYGVRIWRMZ-GFCCVEGCSA-N 2 0 287.404 -0.474 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001420247316 907043064 /nfs/dbraw/zinc/04/30/64/907043064.db2.gz DPHJQUZPMFWUPJ-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001420298913 907082280 /nfs/dbraw/zinc/08/22/80/907082280.db2.gz JWEMEGUTHMKYIG-ZJUUUORDSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC001420310109 907092933 /nfs/dbraw/zinc/09/29/33/907092933.db2.gz OLOPADIKWBYQIK-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001420326118 907102002 /nfs/dbraw/zinc/10/20/02/907102002.db2.gz XFESPMYBEUFISX-VOAKCMCISA-N 2 0 296.415 -0.301 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001420338508 907108825 /nfs/dbraw/zinc/10/88/25/907108825.db2.gz JBZGYJPFWPNXEL-LLVKDONJSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001420336543 907109110 /nfs/dbraw/zinc/10/91/10/907109110.db2.gz BFTJRTAPXJSTEQ-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001420340168 907109451 /nfs/dbraw/zinc/10/94/51/907109451.db2.gz OBJJWSFIVCRGKF-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CCN1CC[C@H]([N@H+](CC)CCNC(=O)CC[NH+](C)C)C1=O ZINC001420429426 907160788 /nfs/dbraw/zinc/16/07/88/907160788.db2.gz WVVNAQPJDWAZPE-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001420463529 907174956 /nfs/dbraw/zinc/17/49/56/907174956.db2.gz RCVKHOYDSHSKPI-SDDRHHMPSA-N 2 0 286.420 -0.199 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001420533441 907198997 /nfs/dbraw/zinc/19/89/97/907198997.db2.gz FFLVCJVSEZFFRQ-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001420550567 907211097 /nfs/dbraw/zinc/21/10/97/907211097.db2.gz AMPKSVNNYYJVHT-CYBMUJFWSA-N 2 0 298.431 -0.147 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001420561663 907212730 /nfs/dbraw/zinc/21/27/30/907212730.db2.gz OFNBEHYZGVZJAE-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CNC(=O)CN(C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001420661359 907259542 /nfs/dbraw/zinc/25/95/42/907259542.db2.gz OBPYFDFUEZARRR-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001420693601 907270248 /nfs/dbraw/zinc/27/02/48/907270248.db2.gz SUURMIXHQSAYMP-CHWSQXEVSA-N 2 0 296.415 -0.168 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001420749906 907293817 /nfs/dbraw/zinc/29/38/17/907293817.db2.gz UCCRKPRMYONORN-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001420890873 907340478 /nfs/dbraw/zinc/34/04/78/907340478.db2.gz MTTBYNNUTYRQJZ-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001420930609 907364801 /nfs/dbraw/zinc/36/48/01/907364801.db2.gz DUCMYRXTOFDKFY-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)[C@H]2CCNC2=O)C1 ZINC001420952297 907369835 /nfs/dbraw/zinc/36/98/35/907369835.db2.gz WXQJNBZLANWNDG-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001420973905 907383032 /nfs/dbraw/zinc/38/30/32/907383032.db2.gz DXOUCVMNWGOAGS-NSHDSACASA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)CCC(=O)NCC1C[NH+](CCN2CCNC2=O)C1 ZINC001421165801 907449254 /nfs/dbraw/zinc/44/92/54/907449254.db2.gz CQTKQEIEXVGSTM-UHFFFAOYSA-N 2 0 297.403 -0.989 20 0 CBADRP C[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001421249087 907475214 /nfs/dbraw/zinc/47/52/14/907475214.db2.gz KBNNKVKSZNWRAH-RISCZKNCSA-N 2 0 284.404 -0.360 20 0 CBADRP CC(C)[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001421253230 907476430 /nfs/dbraw/zinc/47/64/30/907476430.db2.gz JXDNWARCZOXLMS-ZFWWWQNUSA-N 2 0 298.431 -0.114 20 0 CBADRP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)C(=O)NC ZINC001421439164 907546663 /nfs/dbraw/zinc/54/66/63/907546663.db2.gz DRLHHJWHWMALKE-GHMZBOCLSA-N 2 0 272.393 -0.443 20 0 CBADRP CC(C)(C(=O)N1CCO[C@H](C[NH2+]CCO)C1)[NH+]1CCCC1 ZINC001502069561 921333737 /nfs/dbraw/zinc/33/37/37/921333737.db2.gz YEGNYMJTKDIDQB-CYBMUJFWSA-N 2 0 299.415 -0.330 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001502087868 921335881 /nfs/dbraw/zinc/33/58/81/921335881.db2.gz UBKGSPSDYQYNNR-STQMWFEESA-N 2 0 297.399 -0.720 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001421644028 907599660 /nfs/dbraw/zinc/59/96/60/907599660.db2.gz RVTXOCLYUXMLEG-MCIONIFRSA-N 2 0 299.415 -0.332 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001421698452 907618139 /nfs/dbraw/zinc/61/81/39/907618139.db2.gz HJJIXUMVEMTQOJ-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC1 ZINC001421772704 907641530 /nfs/dbraw/zinc/64/15/30/907641530.db2.gz WABQODXZPVKOPW-CYBMUJFWSA-N 2 0 298.431 -0.053 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC001421829525 907656963 /nfs/dbraw/zinc/65/69/63/907656963.db2.gz MMUCQWDKFKGEBA-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001421981141 907695144 /nfs/dbraw/zinc/69/51/44/907695144.db2.gz IJLVNAZIMVGJBB-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)C1 ZINC001421984630 907698407 /nfs/dbraw/zinc/69/84/07/907698407.db2.gz GXHYKKNQMZUALS-UKRRQHHQSA-N 2 0 299.415 -0.736 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001422042405 907707621 /nfs/dbraw/zinc/70/76/21/907707621.db2.gz DOHKWYIIFKCCAY-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C(C)C ZINC001422122148 907721115 /nfs/dbraw/zinc/72/11/15/907721115.db2.gz QATIBSDGFLNGJI-NSHDSACASA-N 2 0 272.393 -0.586 20 0 CBADRP CNC(=O)C[NH2+]CC1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001422273009 907769013 /nfs/dbraw/zinc/76/90/13/907769013.db2.gz PLYLSIVRYQMSTG-UHFFFAOYSA-N 2 0 296.415 -0.441 20 0 CBADRP COC[C@@H](O)C[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001422273251 907773246 /nfs/dbraw/zinc/77/32/46/907773246.db2.gz DRECABHMZOOHDK-RUXDESIVSA-N 2 0 299.415 -0.426 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(=O)N(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422458129 907870223 /nfs/dbraw/zinc/87/02/23/907870223.db2.gz JNIGZSDDYTYADP-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001422472686 907874834 /nfs/dbraw/zinc/87/48/34/907874834.db2.gz VXYQDFIXLRNPIM-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)[C@H]1CCNC1=O ZINC001422548608 907917607 /nfs/dbraw/zinc/91/76/07/907917607.db2.gz DGPTZVIGPPPTSI-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001422553993 907918119 /nfs/dbraw/zinc/91/81/19/907918119.db2.gz SQNAZAXNIKGLFK-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)CCC[NH+]1CCCC1 ZINC001422608353 907942289 /nfs/dbraw/zinc/94/22/89/907942289.db2.gz SWIGWCGZBZFKID-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001422658237 907968795 /nfs/dbraw/zinc/96/87/95/907968795.db2.gz AWQHQGHEQXOEIR-AAEUAGOBSA-N 2 0 296.415 -0.027 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001422693948 907974859 /nfs/dbraw/zinc/97/48/59/907974859.db2.gz AIHQKFJYBBKTSW-SRVKXCTJSA-N 2 0 286.420 -0.102 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001422739949 907989105 /nfs/dbraw/zinc/98/91/05/907989105.db2.gz ANWHBCJQOIJUSF-NSHDSACASA-N 2 0 292.383 -0.059 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001422745203 907992613 /nfs/dbraw/zinc/99/26/13/907992613.db2.gz QBRLNEREWCMRSR-SDDRHHMPSA-N 2 0 273.377 -0.960 20 0 CBADRP CNC(=O)CN(C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001422826644 908028024 /nfs/dbraw/zinc/02/80/24/908028024.db2.gz RMKFEGYKNXGBAM-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001422903626 908050559 /nfs/dbraw/zinc/05/05/59/908050559.db2.gz FOBFTYYYNXITFG-HAQNSBGRSA-N 2 0 284.404 -0.441 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001423037214 908085213 /nfs/dbraw/zinc/08/52/13/908085213.db2.gz FHTGVEQDDZZCPM-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001423078964 908103382 /nfs/dbraw/zinc/10/33/82/908103382.db2.gz PEFSJBNPKAXXJQ-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001423103328 908109748 /nfs/dbraw/zinc/10/97/48/908109748.db2.gz KVZHIXMZLQNNOX-NSHDSACASA-N 2 0 284.404 -0.489 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001423125546 908113793 /nfs/dbraw/zinc/11/37/93/908113793.db2.gz GGGDXDHKIADUFU-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O ZINC001423169024 908126252 /nfs/dbraw/zinc/12/62/52/908126252.db2.gz HBSOAZYSPSPOTF-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]CCF)CC[N@@H+]1C ZINC001423212845 908157888 /nfs/dbraw/zinc/15/78/88/908157888.db2.gz MAMPYEHOYZGPBI-GRYCIOLGSA-N 2 0 275.368 -0.247 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1)C(N)=O ZINC001423224688 908168137 /nfs/dbraw/zinc/16/81/37/908168137.db2.gz FPDHKNQOKHCJGD-QWRGUYRKSA-N 2 0 282.388 -0.417 20 0 CBADRP CN1CC[C@H]([NH2+]C2(CNC(=O)CCC[NH+](C)C)CC2)C1=O ZINC001423258490 908180341 /nfs/dbraw/zinc/18/03/41/908180341.db2.gz JUJIBKFLHZUKMJ-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP O=C(NC[C@H](CO)[NH2+]C[C@@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001423288888 908191816 /nfs/dbraw/zinc/19/18/16/908191816.db2.gz CABAGCDKFWUSBC-QWHCGFSZSA-N 2 0 297.399 -0.815 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001423294047 908194802 /nfs/dbraw/zinc/19/48/02/908194802.db2.gz NCNLDBPCENVURZ-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001423302370 908194965 /nfs/dbraw/zinc/19/49/65/908194965.db2.gz KTNWRGCULUOIFF-STQMWFEESA-N 2 0 299.415 -0.426 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1([NH2+][C@H]2CCCNC2=O)CC1 ZINC001423294049 908195076 /nfs/dbraw/zinc/19/50/76/908195076.db2.gz NCNLDBPCENVURZ-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1)C(N)=O ZINC001423295732 908195343 /nfs/dbraw/zinc/19/53/43/908195343.db2.gz ZRZVVZHOGRUMAT-JTQLQIEISA-N 2 0 280.372 -0.806 20 0 CBADRP CC(C)[C@H](C(=O)NCC1([NH2+]CC(N)=O)CC1)[NH+]1CCCC1 ZINC001423307308 908199222 /nfs/dbraw/zinc/19/92/22/908199222.db2.gz NBHVDYZQFCTSBB-CYBMUJFWSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001423763328 908322343 /nfs/dbraw/zinc/32/23/43/908322343.db2.gz MOOOBFRVFASWJE-DZGCQCFKSA-N 2 0 281.400 -0.099 20 0 CBADRP Cn1cncc1CCC(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001424205541 908423893 /nfs/dbraw/zinc/42/38/93/908423893.db2.gz NEUFOZJNZPQHMJ-UHFFFAOYSA-N 2 0 293.371 -0.534 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)CCn2ccnc2)CCC1 ZINC001424193013 908424171 /nfs/dbraw/zinc/42/41/71/908424171.db2.gz BANNCAXXYLMSQT-UHFFFAOYSA-N 2 0 293.371 -0.352 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001424269325 908436310 /nfs/dbraw/zinc/43/63/10/908436310.db2.gz SEGCEEBOWMBWCC-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001424333514 908443956 /nfs/dbraw/zinc/44/39/56/908443956.db2.gz XGRACFDGYIAIAK-LBPRGKRZSA-N 2 0 284.404 -0.264 20 0 CBADRP CN(CCC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001424332271 908445400 /nfs/dbraw/zinc/44/54/00/908445400.db2.gz QSNDHONKBWTVDJ-LLVKDONJSA-N 2 0 270.377 -0.796 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+][C@@H]1CCNC1=O ZINC001503429591 921410407 /nfs/dbraw/zinc/41/04/07/921410407.db2.gz WGHOTWAQFUKNGD-XQQFMLRXSA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001424488965 908462778 /nfs/dbraw/zinc/46/27/78/908462778.db2.gz UDUZNNZJDPTXIH-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001424596674 908477119 /nfs/dbraw/zinc/47/71/19/908477119.db2.gz JYTCJMBGMMVSBJ-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H]([NH2+]CC1CC(NC(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001424724587 908493471 /nfs/dbraw/zinc/49/34/71/908493471.db2.gz JHAQDBNXJHWMTD-VOMCLLRMSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)[C@H]1CCC[NH+]1C ZINC001503854292 921414867 /nfs/dbraw/zinc/41/48/67/921414867.db2.gz TZEDDLNPLCUJLD-YNEHKIRRSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001424882309 908523366 /nfs/dbraw/zinc/52/33/66/908523366.db2.gz GKZIZJHTCAPRFA-NSHDSACASA-N 2 0 286.420 -0.114 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC2(CO)CC[NH+](CCCO)CC2)C1 ZINC001505393064 921420246 /nfs/dbraw/zinc/42/02/46/921420246.db2.gz NGOVRZDXDQAQFN-ZDUSSCGKSA-N 2 0 299.415 -0.736 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001425225046 908587844 /nfs/dbraw/zinc/58/78/44/908587844.db2.gz CQNVTQBZWNFJHL-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CCO)C1 ZINC001425353916 908627981 /nfs/dbraw/zinc/62/79/81/908627981.db2.gz DQUXYZWKMYVOGY-STQMWFEESA-N 2 0 287.404 -0.476 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CCO)C1 ZINC001425353906 908628621 /nfs/dbraw/zinc/62/86/21/908628621.db2.gz DQUXYZWKMYVOGY-CHWSQXEVSA-N 2 0 287.404 -0.476 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)[C@H]1CCNC1=O ZINC001505444964 921427504 /nfs/dbraw/zinc/42/75/04/921427504.db2.gz LRAPHRFWHOKCIJ-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CN(C(=O)CC[NH+](C)C)[C@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001425494210 908657807 /nfs/dbraw/zinc/65/78/07/908657807.db2.gz MPBPERDZGHPINV-QWHCGFSZSA-N 2 0 296.415 -0.347 20 0 CBADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001425505453 908660460 /nfs/dbraw/zinc/66/04/60/908660460.db2.gz IYSNXTRFBJXAAW-CHWSQXEVSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)[C@H]1CCNC1=O ZINC001505444962 921428229 /nfs/dbraw/zinc/42/82/29/921428229.db2.gz LRAPHRFWHOKCIJ-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1)C(N)=O ZINC001425509202 908664309 /nfs/dbraw/zinc/66/43/09/908664309.db2.gz WYHRORCBWOTQOZ-WCQYABFASA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC(N)=O ZINC001425600920 908681224 /nfs/dbraw/zinc/68/12/24/908681224.db2.gz URLCEUJLAFYLAQ-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001425656566 908687862 /nfs/dbraw/zinc/68/78/62/908687862.db2.gz OJXZYBLKTANZQO-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+][C@H](C)C(N)=O)C1 ZINC001505528858 921435156 /nfs/dbraw/zinc/43/51/56/921435156.db2.gz SVHOSZKHPORXQO-VOMCLLRMSA-N 2 0 284.404 -0.314 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]CC[C@@H]1CCCO1 ZINC001425834003 908759351 /nfs/dbraw/zinc/75/93/51/908759351.db2.gz GDRIQNVNEMDAPL-KBPBESRZSA-N 2 0 299.415 -0.282 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2cccnc2)C1 ZINC001425844996 908762903 /nfs/dbraw/zinc/76/29/03/908762903.db2.gz VPQJVZMZMHYWFQ-ZIAGYGMSSA-N 2 0 292.383 -0.400 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001425954017 908786377 /nfs/dbraw/zinc/78/63/77/908786377.db2.gz MRVABNFMCZFNQU-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001426001901 908802470 /nfs/dbraw/zinc/80/24/70/908802470.db2.gz HWHVTKDSPNYDRR-RYUDHWBXSA-N 2 0 287.404 -0.740 20 0 CBADRP CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001426238051 908849056 /nfs/dbraw/zinc/84/90/56/908849056.db2.gz JGWWHPSBDHBVSB-VOMCLLRMSA-N 2 0 282.388 -0.737 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001505680097 921463470 /nfs/dbraw/zinc/46/34/70/921463470.db2.gz ZGLDRGMKPMENCY-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)CCC(=O)NC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001430293571 909322824 /nfs/dbraw/zinc/32/28/24/909322824.db2.gz BSLBNHZXQNVXDA-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001430297109 909324045 /nfs/dbraw/zinc/32/40/45/909324045.db2.gz XNNJYBVUXRIWNV-LBPRGKRZSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)CC[NH+](C)C ZINC001430627664 909373080 /nfs/dbraw/zinc/37/30/80/909373080.db2.gz LUYZBOVMRIUGID-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)CC[NH+](C)C ZINC001431417746 909457883 /nfs/dbraw/zinc/45/78/83/909457883.db2.gz OXWHPSVELNRDAF-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001431692659 909524410 /nfs/dbraw/zinc/52/44/10/909524410.db2.gz JSRUGJFFWZAVFT-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)C[NH+]1CCCC1 ZINC001433419682 909729006 /nfs/dbraw/zinc/72/90/06/909729006.db2.gz FOLJBBOJMZUKFY-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[NH+](CC)CC(=O)NC[C@@H]1CCN1C(=O)CC[NH+](C)C ZINC001433729071 909833194 /nfs/dbraw/zinc/83/31/94/909833194.db2.gz OHGXZRIZUKDHPH-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+]1CCC(O)(CNC(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001433731174 909835960 /nfs/dbraw/zinc/83/59/60/909835960.db2.gz HICZJCHYPMAHJF-LBPRGKRZSA-N 2 0 287.379 -0.007 20 0 CBADRP Cc1n[nH]nc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001434281823 910075060 /nfs/dbraw/zinc/07/50/60/910075060.db2.gz IRQDETMKGCWEPW-VXGBXAGGSA-N 2 0 294.403 -0.075 20 0 CBADRP C[NH+](C)CC1(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)CC1 ZINC001434337434 910103837 /nfs/dbraw/zinc/10/38/37/910103837.db2.gz ZRQPBLQTYAWMEY-QWHCGFSZSA-N 2 0 281.400 -0.004 20 0 CBADRP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC([NH2+][C@@H]3CCOC3)C2)C1 ZINC001434383601 910141718 /nfs/dbraw/zinc/14/17/18/910141718.db2.gz HIXVTMSLGSNQGQ-IUODEOHRSA-N 2 0 297.399 -0.578 20 0 CBADRP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001434385327 910143767 /nfs/dbraw/zinc/14/37/67/910143767.db2.gz PBKKRDBCFAQXQE-GXTWGEPZSA-N 2 0 295.383 -0.704 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001436337839 910425711 /nfs/dbraw/zinc/42/57/11/910425711.db2.gz FKPASAPQMJGLIH-XQQFMLRXSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H](C[N@H+](C)CC(N)=O)C1 ZINC001436836070 910492428 /nfs/dbraw/zinc/49/24/28/910492428.db2.gz AGXMYOVRWQHNFW-GFCCVEGCSA-N 2 0 284.404 -0.406 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001436876524 910496902 /nfs/dbraw/zinc/49/69/02/910496902.db2.gz PLLXIDFRJZKVOV-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001436910220 910510871 /nfs/dbraw/zinc/51/08/71/910510871.db2.gz DMPVHRSMFYIYLP-AVGNSLFASA-N 2 0 299.415 -0.285 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001436978182 910522109 /nfs/dbraw/zinc/52/21/09/910522109.db2.gz PHBVZOPNANRRPK-SCRDCRAPSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001437007320 910525992 /nfs/dbraw/zinc/52/59/92/910525992.db2.gz FZRNUIUGEFTJCJ-LBPRGKRZSA-N 2 0 284.404 -0.358 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001437120638 910552493 /nfs/dbraw/zinc/55/24/93/910552493.db2.gz FCSFOXFKYUTONQ-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[C@@H]([NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001437143296 910563677 /nfs/dbraw/zinc/56/36/77/910563677.db2.gz FPLIFILXXRZFPI-WDEREUQCSA-N 2 0 284.404 -0.171 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001437218843 910586382 /nfs/dbraw/zinc/58/63/82/910586382.db2.gz GKBUROHJCFXCIU-GFCCVEGCSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCN1CCNC1=O ZINC001437263163 910600042 /nfs/dbraw/zinc/60/00/42/910600042.db2.gz RKGSDQJHJMPDLB-VXGBXAGGSA-N 2 0 297.403 -0.942 20 0 CBADRP C[C@H](CCNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H](C)C(N)=O ZINC001437396341 910625447 /nfs/dbraw/zinc/62/54/47/910625447.db2.gz HFASFTYUETZQJC-MNOVXSKESA-N 2 0 284.404 -0.314 20 0 CBADRP CN(CCNC(=O)[C@H]1CCC[N@@H+]1C)CC(=O)N(C)C1CC1 ZINC001437445871 910640776 /nfs/dbraw/zinc/64/07/76/910640776.db2.gz BMFRCIOWLNDTKD-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[N@H+](CCNC(=O)CC[NH+](C)C)[C@H]1CCCN(C)C1=O ZINC001437616965 910703799 /nfs/dbraw/zinc/70/37/99/910703799.db2.gz AXWIISHVTSDGQS-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H](C)C(=O)NC ZINC001437768054 910743922 /nfs/dbraw/zinc/74/39/22/910743922.db2.gz MWVPGXHEGIBGAP-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C ZINC001437846344 910765048 /nfs/dbraw/zinc/76/50/48/910765048.db2.gz WSRRJFVJMQEADB-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001437841990 910767290 /nfs/dbraw/zinc/76/72/90/910767290.db2.gz ICEUQSLMUPWIOO-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001437842684 910768026 /nfs/dbraw/zinc/76/80/26/910768026.db2.gz LGGCGLUJIZMXLH-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCCN(C)C1=O)[NH+](C)C ZINC001437858411 910771228 /nfs/dbraw/zinc/77/12/28/910771228.db2.gz PAWWCGUNFAPTDZ-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001437932493 910778774 /nfs/dbraw/zinc/77/87/74/910778774.db2.gz MTDHLKBFSDLACI-OCCSQVGLSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@](C[NH2+]CC(N)=O)(NC(=O)Cn1ccnc1)C1CC1 ZINC001438429277 910890550 /nfs/dbraw/zinc/89/05/50/910890550.db2.gz RMFXTGYNNFTSFJ-CYBMUJFWSA-N 2 0 279.344 -0.757 20 0 CBADRP Cn1cncc1CC(=O)N[C@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001438425849 910893105 /nfs/dbraw/zinc/89/31/05/910893105.db2.gz DQRABOCHAWIDRW-CQSZACIVSA-N 2 0 293.371 -0.678 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+](C)C)C[NH2+][C@@H]1CCCNC1=O ZINC001438513694 910908314 /nfs/dbraw/zinc/90/83/14/910908314.db2.gz HLQKRUFTBJTHOE-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001438525524 910911533 /nfs/dbraw/zinc/91/15/33/910911533.db2.gz ZRHOFDOHOKJPQJ-JHJVBQTASA-N 2 0 287.404 -0.570 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001438521377 910912986 /nfs/dbraw/zinc/91/29/86/910912986.db2.gz OOCWMAGWEZQRFP-GFCCVEGCSA-N 2 0 298.431 -0.194 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001438637502 910939732 /nfs/dbraw/zinc/93/97/32/910939732.db2.gz OPKGHHDLRHULQE-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@@H]1CCNC1=O ZINC001438815103 910971542 /nfs/dbraw/zinc/97/15/42/910971542.db2.gz VLAQFQOUIVDMJA-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001438843091 910976092 /nfs/dbraw/zinc/97/60/92/910976092.db2.gz SSERMMUPHUYBIF-STQMWFEESA-N 2 0 298.431 -0.243 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]Cc1ccns1 ZINC001439024428 911061597 /nfs/dbraw/zinc/06/15/97/911061597.db2.gz IFGOCVMAADDTFI-JTQLQIEISA-N 2 0 286.401 -0.339 20 0 CBADRP Cc1ncoc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439048013 911073526 /nfs/dbraw/zinc/07/35/26/911073526.db2.gz TVMQOBHCXUXNHR-VXGBXAGGSA-N 2 0 296.371 -0.499 20 0 CBADRP CC[C@H]([NH2+]CCN(CC)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001439086867 911095649 /nfs/dbraw/zinc/09/56/49/911095649.db2.gz ZSXHWMKMXAFSCW-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001506895875 921635141 /nfs/dbraw/zinc/63/51/41/921635141.db2.gz FKQKSFSTOKTRGK-AVGNSLFASA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001439223130 911150067 /nfs/dbraw/zinc/15/00/67/911150067.db2.gz QLSADQHGWJLBBB-CMPLNLGQSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439236164 911150175 /nfs/dbraw/zinc/15/01/75/911150175.db2.gz DOBXPPRPXANORK-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP O=C(N[C@H]1C[C@H](C[NH2+]CCO)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001506902285 921638581 /nfs/dbraw/zinc/63/85/81/921638581.db2.gz GMIUICCFNJYJRP-YDHLFZDLSA-N 2 0 281.400 -0.051 20 0 CBADRP Cn1cncc1CCC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001506902778 921639673 /nfs/dbraw/zinc/63/96/73/921639673.db2.gz MSMUDNAESHTLQA-XYPYZODXSA-N 2 0 293.371 -0.678 20 0 CBADRP CN1CC[C@@H]([NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001439471974 911217339 /nfs/dbraw/zinc/21/73/39/911217339.db2.gz NZFYEZXWIFALHJ-CHWSQXEVSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001439607131 911260105 /nfs/dbraw/zinc/26/01/05/911260105.db2.gz LEKRJFRXUSZTDB-IJLUTSLNSA-N 2 0 296.415 -0.301 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001439626386 911262056 /nfs/dbraw/zinc/26/20/56/911262056.db2.gz FVEYKPGTDVIVIF-UHFFFAOYSA-N 2 0 294.399 -0.401 20 0 CBADRP CN(C(=O)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1)C1CC1 ZINC001439641817 911263450 /nfs/dbraw/zinc/26/34/50/911263450.db2.gz PEWZCSUQNFBBON-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001439911332 911315103 /nfs/dbraw/zinc/31/51/03/911315103.db2.gz GZZJEZNZLUADKK-WFASDCNBSA-N 2 0 296.415 -0.216 20 0 CBADRP COCC[N@@H+]1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001439991645 911336120 /nfs/dbraw/zinc/33/61/20/911336120.db2.gz QULLJQVZJVOYJV-AWEZNQCLSA-N 2 0 299.415 -0.330 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@]2(O)CC[NH+](CCCO)C2)C1 ZINC001440008911 911340165 /nfs/dbraw/zinc/34/01/65/911340165.db2.gz CFCAURXFSXQVFW-ZFWWWQNUSA-N 2 0 299.415 -0.736 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001440010365 911340335 /nfs/dbraw/zinc/34/03/35/911340335.db2.gz MOLLSXVRZZBMJI-SWLSCSKDSA-N 2 0 299.415 -0.738 20 0 CBADRP COCC[N@@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001440013696 911348312 /nfs/dbraw/zinc/34/83/12/911348312.db2.gz VBKSKPUWEGEGSR-HNNXBMFYSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCC[NH+](CCO)C2)CC[N@@H+]1C ZINC001440168268 911391134 /nfs/dbraw/zinc/39/11/34/911391134.db2.gz ACXVOMWUYZZDGW-NFAWXSAZSA-N 2 0 299.415 -0.738 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001440314825 911428127 /nfs/dbraw/zinc/42/81/27/911428127.db2.gz WQQIYFLGPXZQKI-SDDRHHMPSA-N 2 0 282.388 -0.560 20 0 CBADRP CO[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001440374761 911440606 /nfs/dbraw/zinc/44/06/06/911440606.db2.gz JAKSXUVJSXTBKH-QWHCGFSZSA-N 2 0 287.404 -0.210 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)CCC[N@H+](C)CC(N)=O)[NH+](C)C ZINC001440432919 911453933 /nfs/dbraw/zinc/45/39/33/911453933.db2.gz NBAJQMWUWGFLHS-ZDUSSCGKSA-N 2 0 286.420 -0.162 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001440586713 911475466 /nfs/dbraw/zinc/47/54/66/911475466.db2.gz FUOXQLPTXYRMKL-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP C[N@H+](CC(=O)NCCN1CC[NH+](C)CC1)[C@@H]1CCC[C@H]1O ZINC001440736771 911501766 /nfs/dbraw/zinc/50/17/66/911501766.db2.gz GYGHEEIYXOBRIF-ZIAGYGMSSA-N 2 0 298.431 -0.805 20 0 CBADRP CNC(=O)C[NH2+]CC1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001440767078 911507889 /nfs/dbraw/zinc/50/78/89/911507889.db2.gz YBCFVFRUDQDXTN-PNESKVBLSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001440816647 911516584 /nfs/dbraw/zinc/51/65/84/911516584.db2.gz IGLMJOZLTCHDMA-NWDGAFQWSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCO ZINC001507073009 921668247 /nfs/dbraw/zinc/66/82/47/921668247.db2.gz KMBNXSJVDKCNCV-AAEUAGOBSA-N 2 0 269.389 -0.243 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001440863471 911531894 /nfs/dbraw/zinc/53/18/94/911531894.db2.gz WCXGZBFDYWQQKF-QWRGUYRKSA-N 2 0 272.393 -0.445 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001440863464 911535170 /nfs/dbraw/zinc/53/51/70/911535170.db2.gz WCXGZBFDYWQQKF-GHMZBOCLSA-N 2 0 272.393 -0.445 20 0 CBADRP NC(=O)CN1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001441048240 911594433 /nfs/dbraw/zinc/59/44/33/911594433.db2.gz JOBRAGVOHPKKHN-ZDUSSCGKSA-N 2 0 296.415 -0.072 20 0 CBADRP C[N@H+](CC(=O)NCCN1CC[NH+](CCO)CC1)C1CCC1 ZINC001441056667 911599516 /nfs/dbraw/zinc/59/95/16/911599516.db2.gz KRMVEOASCVXPAO-UHFFFAOYSA-N 2 0 298.431 -0.803 20 0 CBADRP C[C@H](C(N)=O)[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001441134061 911614311 /nfs/dbraw/zinc/61/43/11/911614311.db2.gz HJHWSIYJRVOPMT-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001441199771 911623424 /nfs/dbraw/zinc/62/34/24/911623424.db2.gz FEKDLLJXYXJYJH-RYUDHWBXSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH+](C)CCCC(=O)NC[C@H]([NH2+][C@H]1CCNC1=O)C1CC1 ZINC001441246108 911628959 /nfs/dbraw/zinc/62/89/59/911628959.db2.gz LIJGLYPQYHQECY-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)CCCC(=O)NC[C@@H]([NH2+][C@H]1CCNC1=O)C1CC1 ZINC001441246089 911629492 /nfs/dbraw/zinc/62/94/92/911629492.db2.gz LIJGLYPQYHQECY-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001441274778 911637981 /nfs/dbraw/zinc/63/79/81/911637981.db2.gz BTHXXEVFVKQQKW-KKOKHZNYSA-N 2 0 282.388 -0.894 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+]([C@H](C)C(N)=O)C[C@H]21 ZINC001441302905 911640960 /nfs/dbraw/zinc/64/09/60/911640960.db2.gz DUFUOFPEIGHLOX-LPWJVIDDSA-N 2 0 296.415 -0.504 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001441302928 911642244 /nfs/dbraw/zinc/64/22/44/911642244.db2.gz DUFUOFPEIGHLOX-ZDEQEGDKSA-N 2 0 296.415 -0.504 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001441425676 911665605 /nfs/dbraw/zinc/66/56/05/911665605.db2.gz VPFIUJBZYVWIHH-HAQNSBGRSA-N 2 0 297.403 -0.800 20 0 CBADRP Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)nn1 ZINC001441425750 911666005 /nfs/dbraw/zinc/66/60/05/911666005.db2.gz VWVRJUQQVIRUBP-XYPYZODXSA-N 2 0 280.376 -0.496 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C1)C(N)=O ZINC001441413724 911667005 /nfs/dbraw/zinc/66/70/05/911667005.db2.gz HBQNLNVHIOYAJU-IJLUTSLNSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C2CC2)CC[N@@H+]1C ZINC001441451802 911673889 /nfs/dbraw/zinc/67/38/89/911673889.db2.gz YUOJKJPHOWTOHN-RTXFEEFZSA-N 2 0 296.415 -0.362 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001507146265 921687643 /nfs/dbraw/zinc/68/76/43/921687643.db2.gz BXNFIVAYMVGAPA-LLVKDONJSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H]1CCNC1=O ZINC001441532431 911699333 /nfs/dbraw/zinc/69/93/33/911699333.db2.gz FZCGRFURLQVMLR-NWDGAFQWSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O)[NH+](C)C ZINC001507123540 921685133 /nfs/dbraw/zinc/68/51/33/921685133.db2.gz PXAMNVPJPPNFRM-ZJUUUORDSA-N 2 0 258.366 -0.752 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O)[NH+](C)C ZINC001441625263 911719816 /nfs/dbraw/zinc/71/98/16/911719816.db2.gz XAWGRDSIBVBWFM-PWSUYJOCSA-N 2 0 272.393 -0.506 20 0 CBADRP C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001441657981 911725451 /nfs/dbraw/zinc/72/54/51/911725451.db2.gz YOWBYRQADMFNJC-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCNC1=O ZINC001441661094 911730825 /nfs/dbraw/zinc/73/08/25/911730825.db2.gz SNJHLEQXQBXXEK-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+][C@H]1CCNC1=O ZINC001507116420 921681741 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C[C@@H](O)C[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001507152528 921692641 /nfs/dbraw/zinc/69/26/41/921692641.db2.gz CMFYYLHXADEICI-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]C/C=C\Cl)C1 ZINC001441797653 911811030 /nfs/dbraw/zinc/81/10/30/911811030.db2.gz QNFKNZWLERRRPF-MTCWXPTMSA-N 2 0 275.780 -0.243 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]C/C=C\Cl)C1 ZINC001441797663 911811782 /nfs/dbraw/zinc/81/17/82/911811782.db2.gz QNFKNZWLERRRPF-TWLCVDABSA-N 2 0 275.780 -0.243 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001441826689 911824864 /nfs/dbraw/zinc/82/48/64/911824864.db2.gz NEZQGUXLRQTRRP-CHWSQXEVSA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001441838538 911831771 /nfs/dbraw/zinc/83/17/71/911831771.db2.gz GOQYNWCXBCKMBT-NWDGAFQWSA-N 2 0 296.415 -0.204 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001441877606 911845151 /nfs/dbraw/zinc/84/51/51/911845151.db2.gz VJYYPKWXVVFXSO-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001441899521 911847084 /nfs/dbraw/zinc/84/70/84/911847084.db2.gz NFGZJDLTOBJQNX-OLZOCXBDSA-N 2 0 296.415 -0.297 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001441939305 911857575 /nfs/dbraw/zinc/85/75/75/911857575.db2.gz SVNNKYHAEZVFQM-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001441943628 911863167 /nfs/dbraw/zinc/86/31/67/911863167.db2.gz WWGVFJGDHMYMJL-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCCNC1=O ZINC001442042761 911901478 /nfs/dbraw/zinc/90/14/78/911901478.db2.gz DJPJWYZRTMWTDX-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP CC(C)[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CCO)[NH+](C)C ZINC001442089822 911927071 /nfs/dbraw/zinc/92/70/71/911927071.db2.gz GQBVSDABCXBHKC-CHWSQXEVSA-N 2 0 289.420 -0.684 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001442135103 911936418 /nfs/dbraw/zinc/93/64/18/911936418.db2.gz CSUACMSQCSIALT-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC001442139436 911937673 /nfs/dbraw/zinc/93/76/73/911937673.db2.gz OZTMCROGYDJKBH-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001442146712 911938251 /nfs/dbraw/zinc/93/82/51/911938251.db2.gz PTCSCTJYJAXWMY-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP CC[C@H]([NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001442135062 911939126 /nfs/dbraw/zinc/93/91/26/911939126.db2.gz CMQKHZDIJRVIPT-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP COCC[N@H+](CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001442183685 911948250 /nfs/dbraw/zinc/94/82/50/911948250.db2.gz JSNOJLGDVAJDNT-UHFFFAOYSA-N 2 0 285.388 -0.861 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001442335810 911975535 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CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001443107779 912158532 /nfs/dbraw/zinc/15/85/32/912158532.db2.gz ZDXOAQGYNJWXBU-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001443116936 912160915 /nfs/dbraw/zinc/16/09/15/912160915.db2.gz KMPIGCXAPGDOOI-AAEUAGOBSA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[NH2+][C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001507209363 921745968 /nfs/dbraw/zinc/74/59/68/921745968.db2.gz MXTUAEBWDJORRH-LLVKDONJSA-N 2 0 257.378 -0.053 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001507329479 921811937 /nfs/dbraw/zinc/81/19/37/921811937.db2.gz VJRIBPMYMHBIAI-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP C[N@H+](CC(=O)NCC[NH+]1CCC(O)CC1)[C@@H]1CCC[C@H]1O ZINC001468123251 915272606 /nfs/dbraw/zinc/27/26/06/915272606.db2.gz XJTIGDDLHROBDF-ZIAGYGMSSA-N 2 0 299.415 -0.596 20 0 CBADRP C[NH+](C)CC1CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C1 ZINC001468179619 915278772 /nfs/dbraw/zinc/27/87/72/915278772.db2.gz WZLUJWQIXNWQRX-CHWSQXEVSA-N 2 0 269.389 -0.148 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC001468765761 915326619 /nfs/dbraw/zinc/32/66/19/915326619.db2.gz JQFDWEVWDFTGMI-UONOGXRCSA-N 2 0 297.447 -0.032 20 0 CBADRP COC[C@H](C)[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001507251153 921782323 /nfs/dbraw/zinc/78/23/23/921782323.db2.gz AXUUADPUURZBCQ-RYUDHWBXSA-N 2 0 285.388 -0.816 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CCOC2CCC2)C1 ZINC001507261408 921790478 /nfs/dbraw/zinc/79/04/78/921790478.db2.gz SBTMXZSQOLVZTG-CHWSQXEVSA-N 2 0 299.415 -0.426 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCF ZINC001507264683 921791662 /nfs/dbraw/zinc/79/16/62/921791662.db2.gz KXCFRPGTRFSIJN-NEPJUHHUSA-N 2 0 275.368 -0.103 20 0 CBADRP CC(C)C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001507262704 921792536 /nfs/dbraw/zinc/79/25/36/921792536.db2.gz ZGLIXEDCYJTIBE-LBPRGKRZSA-N 2 0 257.378 -0.195 20 0 CBADRP CCO[C@@H](CNc1nc(N)[nH+]c(N)n1)C[NH+](C)C ZINC001472872020 915777595 /nfs/dbraw/zinc/77/75/95/915777595.db2.gz HPIXEHXDTNJWJJ-ZETCQYMHSA-N 2 0 255.326 -0.585 20 0 CBADRP CN(C)C(=O)[C@@H]1CC[N@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC001473547129 915833008 /nfs/dbraw/zinc/83/30/08/915833008.db2.gz WABGDRGVFBFKEF-YPMHNXCESA-N 2 0 269.389 -0.148 20 0 CBADRP Cn1cncc1CC[N@@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001473892454 915878791 /nfs/dbraw/zinc/87/87/91/915878791.db2.gz KANPDRIEPARQIK-VXGBXAGGSA-N 2 0 253.346 -0.115 20 0 CBADRP CC[N@H+](C)[C@@H]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC001477868215 916021712 /nfs/dbraw/zinc/02/17/12/916021712.db2.gz HAVBGRCJYHQUOY-ZIAGYGMSSA-N 2 0 297.447 -0.032 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCOCCO)C1 ZINC001479357225 916121047 /nfs/dbraw/zinc/12/10/47/916121047.db2.gz FEVLEVUIXJCMDB-MGPQQGTHSA-N 2 0 299.415 -0.426 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001479392449 916125757 /nfs/dbraw/zinc/12/57/57/916125757.db2.gz ZVXVIHQONZVXDX-HAQNSBGRSA-N 2 0 284.404 -0.441 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2C1 ZINC001479672759 916149914 /nfs/dbraw/zinc/14/99/14/916149914.db2.gz NYMYDIMKRAXCQL-OLZOCXBDSA-N 2 0 296.415 -0.406 20 0 CBADRP CN1CC[C@@H]([N@H+](C)CCCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001479812696 916186623 /nfs/dbraw/zinc/18/66/23/916186623.db2.gz RAXUMERDAWGNOO-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP CNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)C[NH+](C)C(C)C ZINC001479815736 916187216 /nfs/dbraw/zinc/18/72/16/916187216.db2.gz MHHBATINOLMENO-LBPRGKRZSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](CC(N)=O)C2CC2)C1 ZINC001479876751 916203881 /nfs/dbraw/zinc/20/38/81/916203881.db2.gz VCFPJCRYCFTRDV-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001480009681 916259615 /nfs/dbraw/zinc/25/96/15/916259615.db2.gz ZHWOSQLQZVRXLH-OLZOCXBDSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCOCCO)C2)CC[N@@H+]1C ZINC001480138151 916304525 /nfs/dbraw/zinc/30/45/25/916304525.db2.gz FQZIGIOMMQLDSC-AAVRWANBSA-N 2 0 299.415 -0.428 20 0 CBADRP O=C(N[C@H]1C[C@H]([NH2+]CCCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001480139535 916306452 /nfs/dbraw/zinc/30/64/52/916306452.db2.gz WQVFLNXKRFDGCW-IHRRRGAJSA-N 2 0 281.400 -0.053 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001480208512 916328316 /nfs/dbraw/zinc/32/83/16/916328316.db2.gz VHBWGWQCBVCPMR-PHIMTYICSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001480207810 916331255 /nfs/dbraw/zinc/33/12/55/916331255.db2.gz HCZDELSEPAGUTO-MXWKQRLJSA-N 2 0 282.388 -0.419 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001480220051 916335559 /nfs/dbraw/zinc/33/55/59/916335559.db2.gz HNHKLZWVIMRSGV-OUAUKWLOSA-N 2 0 268.361 -0.937 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001480233583 916336419 /nfs/dbraw/zinc/33/64/19/916336419.db2.gz HJRZMOLBDAMEGY-UTUOFQBUSA-N 2 0 257.378 -0.054 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480304140 916353589 /nfs/dbraw/zinc/35/35/89/916353589.db2.gz JHNVEERPBWAHRY-CYBMUJFWSA-N 2 0 296.415 -0.344 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001480576666 916484555 /nfs/dbraw/zinc/48/45/55/916484555.db2.gz KAPUAKUXFCDRHE-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001480590822 916486633 /nfs/dbraw/zinc/48/66/33/916486633.db2.gz VNCDLSBHRXHIPJ-OLZOCXBDSA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001480597543 916488367 /nfs/dbraw/zinc/48/83/67/916488367.db2.gz QVZHWZJQPJPTJT-VXGBXAGGSA-N 2 0 284.404 -0.348 20 0 CBADRP CN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001480659799 916514209 /nfs/dbraw/zinc/51/42/09/916514209.db2.gz VMLCKXVRYDZWPI-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480680754 916517068 /nfs/dbraw/zinc/51/70/68/916517068.db2.gz YAPIMZPRZZFTQV-KGLIPLIRSA-N 2 0 299.415 -0.472 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001480790847 916542283 /nfs/dbraw/zinc/54/22/83/916542283.db2.gz RTGASCTYCBETHK-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@@H]1CCCNC1=O ZINC001480790333 916542785 /nfs/dbraw/zinc/54/27/85/916542785.db2.gz NWDDBQAHEWKYKI-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001480803555 916544904 /nfs/dbraw/zinc/54/49/04/916544904.db2.gz QACZXBYVDCUVMM-LLVKDONJSA-N 2 0 282.388 -0.687 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@@H](C)O ZINC001481017124 916687264 /nfs/dbraw/zinc/68/72/64/916687264.db2.gz ZIAHIQPKLXESQO-NEPJUHHUSA-N 2 0 257.378 -0.243 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001481228878 916777686 /nfs/dbraw/zinc/77/76/86/916777686.db2.gz KOEZPEGLHRNECM-NWDGAFQWSA-N 2 0 284.404 -0.219 20 0 CBADRP COC[C@H](O)C[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001481279735 916805346 /nfs/dbraw/zinc/80/53/46/916805346.db2.gz KGASXUAAZXESPP-QWHCGFSZSA-N 2 0 287.404 -0.617 20 0 CBADRP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001481306374 916816761 /nfs/dbraw/zinc/81/67/61/916816761.db2.gz OJEWEJGRBLGVFR-CYBMUJFWSA-N 2 0 296.419 -0.051 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001481676381 916941357 /nfs/dbraw/zinc/94/13/57/916941357.db2.gz DVZXIQZPVSYQSF-RYUDHWBXSA-N 2 0 255.362 -0.394 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H]1CC[N@H+](CCO)C1 ZINC001481752065 916976037 /nfs/dbraw/zinc/97/60/37/916976037.db2.gz VCLYXGLHRJUQJF-ZIAGYGMSSA-N 2 0 299.415 -0.520 20 0 CBADRP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H]1CCCNC1=O ZINC001481850650 917008845 /nfs/dbraw/zinc/00/88/45/917008845.db2.gz WMHRMTDTHZLJHP-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H]1CCCNC1=O ZINC001481850651 917009064 /nfs/dbraw/zinc/00/90/64/917009064.db2.gz WMHRMTDTHZLJHP-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001481941331 917026887 /nfs/dbraw/zinc/02/68/87/917026887.db2.gz RGCUTYYVNWOLIK-OAHLLOKOSA-N 2 0 298.431 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC(N)=O)CC1 ZINC001481996870 917028832 /nfs/dbraw/zinc/02/88/32/917028832.db2.gz OAOOGOAXWMOPFU-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1ncnn1C ZINC001482086079 917049832 /nfs/dbraw/zinc/04/98/32/917049832.db2.gz WKPTXCDITYCLDT-RYUDHWBXSA-N 2 0 294.403 -0.249 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001482155162 917065403 /nfs/dbraw/zinc/06/54/03/917065403.db2.gz CSMOBSWJULPFOK-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)N(C)C ZINC001482167048 917071498 /nfs/dbraw/zinc/07/14/98/917071498.db2.gz AEBVOIKNJBGWML-RYUDHWBXSA-N 2 0 284.404 -0.632 20 0 CBADRP COCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482169753 917071666 /nfs/dbraw/zinc/07/16/66/917071666.db2.gz VWOVLOFUHCPHBA-NEPJUHHUSA-N 2 0 257.378 -0.074 20 0 CBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CCCO ZINC001482160580 917072800 /nfs/dbraw/zinc/07/28/00/917072800.db2.gz HSYVQAXZVHXGRE-GFCCVEGCSA-N 2 0 269.389 -0.194 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCCNC1=O)N(C)C(=O)CC[NH+](C)C ZINC001482326377 917127080 /nfs/dbraw/zinc/12/70/80/917127080.db2.gz RMSSDHWJUNOKBQ-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482322233 917127303 /nfs/dbraw/zinc/12/73/03/917127303.db2.gz AHDXTUNTXXFDGB-NSHDSACASA-N 2 0 284.404 -0.489 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001482365563 917139066 /nfs/dbraw/zinc/13/90/66/917139066.db2.gz WQCDCJIOWRNKFP-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482381599 917139325 /nfs/dbraw/zinc/13/93/25/917139325.db2.gz XYTBWPUSEIVCGV-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)[C@H](C)N(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482587150 917167256 /nfs/dbraw/zinc/16/72/56/917167256.db2.gz ZJTNWURCHRARFW-RYUDHWBXSA-N 2 0 284.404 -0.395 20 0 CBADRP CCCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001482757762 917255367 /nfs/dbraw/zinc/25/53/67/917255367.db2.gz QIPVBGCEKDVNFL-NWDGAFQWSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@@H](C(=O)NC[C@H](O)C[NH2+]CCO)[NH+]1CCCCCC1 ZINC001482774112 917271279 /nfs/dbraw/zinc/27/12/79/917271279.db2.gz HCSGOMSCEZXHAI-QWHCGFSZSA-N 2 0 287.404 -0.690 20 0 CBADRP C[C@@H](CC[NH2+]CCCO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482816679 917301375 /nfs/dbraw/zinc/30/13/75/917301375.db2.gz IRMORNQKXCLDFN-NWDGAFQWSA-N 2 0 257.378 -0.053 20 0 CBADRP CC(C)OCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482790677 917285688 /nfs/dbraw/zinc/28/56/88/917285688.db2.gz HKFPJXIIZAUVSP-STQMWFEESA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@@H](CC[NH2+]Cc1nncn1C)NC(=O)CC[NH+](C)C ZINC001482867518 917318246 /nfs/dbraw/zinc/31/82/46/917318246.db2.gz IUOXYJKPEVYCGG-NSHDSACASA-N 2 0 282.392 -0.249 20 0 CBADRP C[C@@H](CC[NH2+]CCO)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482887692 917323814 /nfs/dbraw/zinc/32/38/14/917323814.db2.gz DYOXAVLLZMXPQG-NWDGAFQWSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H](CC[NH2+]CCO)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482887695 917325386 /nfs/dbraw/zinc/32/53/86/917325386.db2.gz DYOXAVLLZMXPQG-RYUDHWBXSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC(N)=O ZINC001482901027 917329638 /nfs/dbraw/zinc/32/96/38/917329638.db2.gz IKIJTILJHAKHSS-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP CCN(CC[NH2+]C[C@H](O)COC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482941971 917346084 /nfs/dbraw/zinc/34/60/84/917346084.db2.gz DGDHTCVITOJGOT-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482941943 917348249 /nfs/dbraw/zinc/34/82/49/917348249.db2.gz CJAYQDREPXAJST-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)C12CC[NH+](CC1)C2 ZINC001482963101 917349152 /nfs/dbraw/zinc/34/91/52/917349152.db2.gz FVVSNGMREKTMJY-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@H]([NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001482966709 917352431 /nfs/dbraw/zinc/35/24/31/917352431.db2.gz HETCYOAMKGFOFX-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001483046021 917385476 /nfs/dbraw/zinc/38/54/76/917385476.db2.gz ASVGYWSUZDWJDF-UFFNRZRYSA-N 2 0 268.361 -0.782 20 0 CBADRP COC[C@H](O)C[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001483083915 917404686 /nfs/dbraw/zinc/40/46/86/917404686.db2.gz SMWPXKHEKCWPJW-YWVDXFKGSA-N 2 0 297.399 -0.649 20 0 CBADRP CCNC(=O)C[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001483083682 917406073 /nfs/dbraw/zinc/40/60/73/917406073.db2.gz OHGVJCLMVUCYBQ-ONEGZZNKSA-N 2 0 294.399 -0.520 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+][C@@H]1CCN(C)C1=O ZINC001483097186 917408792 /nfs/dbraw/zinc/40/87/92/917408792.db2.gz ITHXRNPCJBVIGF-URWSZGRFSA-N 2 0 296.415 -0.181 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001483137065 917429339 /nfs/dbraw/zinc/42/93/39/917429339.db2.gz JTSWRCHHAKXHSI-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001483135920 917431154 /nfs/dbraw/zinc/43/11/54/917431154.db2.gz WSRAHVMSTWSBAY-NEPJUHHUSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](C[NH2+]CCOCCO)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483141749 917434914 /nfs/dbraw/zinc/43/49/14/917434914.db2.gz XSKIQYHFHZGVJB-OLZOCXBDSA-N 2 0 287.404 -0.426 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001483162536 917445189 /nfs/dbraw/zinc/44/51/89/917445189.db2.gz HLVKLACAQGGRES-NXEZZACHSA-N 2 0 258.366 -0.833 20 0 CBADRP C[C@H](C[NH2+]CCCO)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483161787 917445555 /nfs/dbraw/zinc/44/55/55/917445555.db2.gz RVZIYTHGUGVEMN-LLVKDONJSA-N 2 0 257.378 -0.195 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001483185351 917458715 /nfs/dbraw/zinc/45/87/15/917458715.db2.gz HAUHQBFPWWVWTN-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001483197363 917461987 /nfs/dbraw/zinc/46/19/87/917461987.db2.gz HEOCXVIPSOAVRT-NEPJUHHUSA-N 2 0 284.404 -0.348 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001483198109 917462876 /nfs/dbraw/zinc/46/28/76/917462876.db2.gz XDPRSBBCBSIQRU-GFCCVEGCSA-N 2 0 286.420 -0.055 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)C[N@H+](C)C1CCC1 ZINC001483235568 917486500 /nfs/dbraw/zinc/48/65/00/917486500.db2.gz VVPWLZHONWUDTI-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)C(=O)NC1CC1 ZINC001483263807 917501763 /nfs/dbraw/zinc/50/17/63/917501763.db2.gz LAHLMNKXICCVCS-WDEREUQCSA-N 2 0 284.404 -0.301 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001483286130 917505105 /nfs/dbraw/zinc/50/51/05/917505105.db2.gz LNUJBZYBABTOCR-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP Cc1nccn1CC(=O)N[C@@H](C)C[NH2+]C[C@H](C)O ZINC001483293950 917511989 /nfs/dbraw/zinc/51/19/89/917511989.db2.gz OOLAHDMLWOCIDI-UWVGGRQHSA-N 2 0 254.334 -0.333 20 0 CBADRP C[C@@H](C[N@H+](C)[C@@H]1CCN(C)C1=O)NC(=O)C[NH+]1CCCC1 ZINC001483422202 917559961 /nfs/dbraw/zinc/55/99/61/917559961.db2.gz SHTSHNGUQQISDP-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H](C[N@H+](C)[C@H]1CCN(C)C1=O)NC(=O)C[NH+]1CCCC1 ZINC001483422001 917560709 /nfs/dbraw/zinc/56/07/09/917560709.db2.gz SHTSHNGUQQISDP-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CN(CCC[NH2+]Cc1ncnn1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001483484625 917577703 /nfs/dbraw/zinc/57/77/03/917577703.db2.gz QUTXGLBTCIQFMC-GFCCVEGCSA-N 2 0 294.403 -0.153 20 0 CBADRP CC[C@H](C(=O)N[C@H](C[NH2+]CCO)C1CC1)[NH+](C)C ZINC001483569852 917596872 /nfs/dbraw/zinc/59/68/72/917596872.db2.gz FCXQTIISXSUQQQ-VXGBXAGGSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@H]([NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1)C(N)=O ZINC001483603479 917602591 /nfs/dbraw/zinc/60/25/91/917602591.db2.gz ZUNXCXKHFMNLEF-CMPLNLGQSA-N 2 0 294.399 -0.560 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2CCCO)C1 ZINC001483683387 917637488 /nfs/dbraw/zinc/63/74/88/917637488.db2.gz ZJETXOSBMYAHCO-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@H+](CC(=O)NCC1([NH2+]CCO)CC1)C1CCC1 ZINC001483741458 917664814 /nfs/dbraw/zinc/66/48/14/917664814.db2.gz STDHHPGFUVIGAW-UHFFFAOYSA-N 2 0 255.362 -0.299 20 0 CBADRP O=C(NCC1([NH2+]CCCO)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001483734526 917665204 /nfs/dbraw/zinc/66/52/04/917665204.db2.gz CCYQQXPZJPHVCL-CYBMUJFWSA-N 2 0 281.400 -0.051 20 0 CBADRP C[NH+]1CCC(C(=O)NCC2([NH2+][C@@H]3CCNC3=O)CC2)CC1 ZINC001483765250 917671676 /nfs/dbraw/zinc/67/16/76/917671676.db2.gz WMRNCUJMAKAOEP-GFCCVEGCSA-N 2 0 294.399 -0.545 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001483767220 917677276 /nfs/dbraw/zinc/67/72/76/917677276.db2.gz DQVAASYSWCUBTM-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001483847253 917684089 /nfs/dbraw/zinc/68/40/89/917684089.db2.gz GVEGRSWRQLXDMW-AWEZNQCLSA-N 2 0 282.388 -0.652 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2C[NH2+]CCO)C1 ZINC001483951657 917713570 /nfs/dbraw/zinc/71/35/70/917713570.db2.gz CHHPYYLEWDNDQS-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001483941995 917713875 /nfs/dbraw/zinc/71/38/75/917713875.db2.gz BZTCMMMISFBJFJ-SNVBAGLBSA-N 2 0 256.350 -0.996 20 0 CBADRP CC(C)[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001484252629 917789655 /nfs/dbraw/zinc/78/96/55/917789655.db2.gz VZWGYNABIOSQLZ-JSGCOSHPSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001484368143 917836084 /nfs/dbraw/zinc/83/60/84/917836084.db2.gz BUMLWMAWSPQTNM-NWDGAFQWSA-N 2 0 296.415 -0.360 20 0 CBADRP O=C([C@H]1CCC[C@@H]2CCC[N@@H+]21)N(CCO)CC[NH2+]CCO ZINC001484495983 917877453 /nfs/dbraw/zinc/87/74/53/917877453.db2.gz IRZXWQDVKVGOSC-ZIAGYGMSSA-N 2 0 299.415 -0.594 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CCO)C2)C1 ZINC001484549491 917884960 /nfs/dbraw/zinc/88/49/60/917884960.db2.gz JDEOTEMDWJWHRB-CHWSQXEVSA-N 2 0 269.389 -0.241 20 0 CBADRP CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]CCO)C1)[NH+](C)C ZINC001484697477 917927170 /nfs/dbraw/zinc/92/71/70/917927170.db2.gz VUAFPURATHFACW-NWDGAFQWSA-N 2 0 273.377 -0.864 20 0 CBADRP C[C@H](O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001485015537 917980395 /nfs/dbraw/zinc/98/03/95/917980395.db2.gz ITRYIBLMJIOZBO-STQMWFEESA-N 2 0 299.415 -0.596 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001485159696 918014624 /nfs/dbraw/zinc/01/46/24/918014624.db2.gz ZBVJFBZNXWNRAN-WDEREUQCSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)CCO ZINC001485314748 918074843 /nfs/dbraw/zinc/07/48/43/918074843.db2.gz UPKXXKZGLGUDQZ-LLVKDONJSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001485704961 918171831 /nfs/dbraw/zinc/17/18/31/918171831.db2.gz HEOFHUIGLDLOJI-WNGYAQOMSA-N 2 0 296.415 -0.171 20 0 CBADRP CNC(=O)C[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001485739725 918176704 /nfs/dbraw/zinc/17/67/04/918176704.db2.gz YWTMZIZNDXMTND-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](CCC[NH2+]CC(N)=O)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001485745028 918182306 /nfs/dbraw/zinc/18/23/06/918182306.db2.gz PNBOQUBXOCZMES-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](CCC[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485748948 918182721 /nfs/dbraw/zinc/18/27/21/918182721.db2.gz QEVOSOPFTZTPCQ-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001485854818 918208032 /nfs/dbraw/zinc/20/80/32/918208032.db2.gz HKTFSHUEFPNVIS-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001485881292 918216606 /nfs/dbraw/zinc/21/66/06/918216606.db2.gz FGZMIMIBSCKCLO-WDEREUQCSA-N 2 0 284.404 -0.219 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001485912975 918227508 /nfs/dbraw/zinc/22/75/08/918227508.db2.gz ADYHCJMSVFCHQX-AGIUHOORSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001485916738 918228716 /nfs/dbraw/zinc/22/87/16/918228716.db2.gz WXZWGNWGIGUQPU-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001485960360 918238621 /nfs/dbraw/zinc/23/86/21/918238621.db2.gz FHQSBOURCFOVTJ-LBPRGKRZSA-N 2 0 286.420 -0.149 20 0 CBADRP C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+]CC(N)=O ZINC001485960329 918239399 /nfs/dbraw/zinc/23/93/99/918239399.db2.gz DRJYWLRHNDHNAV-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP CC(C)OCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001485983711 918274113 /nfs/dbraw/zinc/27/41/13/918274113.db2.gz VJFSLFONHKYLGU-CHWSQXEVSA-N 2 0 287.404 -0.428 20 0 CBADRP CC[NH2+][C@@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001486022341 918313870 /nfs/dbraw/zinc/31/38/70/918313870.db2.gz AOJOBQUSOHPHRF-LLVKDONJSA-N 2 0 257.378 -0.053 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC ZINC001486002009 918293476 /nfs/dbraw/zinc/29/34/76/918293476.db2.gz LMJGQRNOHFBCFI-NWDGAFQWSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NC[C@H](CO)[NH2+]CCCO)CC[N@@H+]1C ZINC001486028240 918323913 /nfs/dbraw/zinc/32/39/13/918323913.db2.gz UGCWNIDKPHCNII-RWMBFGLXSA-N 2 0 287.404 -0.834 20 0 CBADRP COC[C@H](C)[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001486031579 918325045 /nfs/dbraw/zinc/32/50/45/918325045.db2.gz UBJTXZPWLFXFMD-AAEUAGOBSA-N 2 0 287.404 -0.570 20 0 CBADRP COCC[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001486053288 918347461 /nfs/dbraw/zinc/34/74/61/918347461.db2.gz XUURCQGFTDLOKY-VXGBXAGGSA-N 2 0 273.377 -0.959 20 0 CBADRP COCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001486297463 918415213 /nfs/dbraw/zinc/41/52/13/918415213.db2.gz SVIOPBDAUVWJPN-NWDGAFQWSA-N 2 0 273.377 -0.864 20 0 CBADRP CN(C[C@@H](O)C[NH2+]CCO)C(=O)CC[NH+]1CCCCC1 ZINC001486317427 918423921 /nfs/dbraw/zinc/42/39/21/918423921.db2.gz ILIMBOUAPIHICC-ZDUSSCGKSA-N 2 0 287.404 -0.736 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001488794764 918769443 /nfs/dbraw/zinc/76/94/43/918769443.db2.gz VRCABLAWNXJLEG-SDDRHHMPSA-N 2 0 282.388 -0.832 20 0 CBADRP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001490279530 918885014 /nfs/dbraw/zinc/88/50/14/918885014.db2.gz IRXCDVLDSJAPRN-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@H](O)C[NH+]1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001490513971 918923840 /nfs/dbraw/zinc/92/38/40/918923840.db2.gz AWQFYKGPSLZUSA-KBPBESRZSA-N 2 0 298.431 -0.947 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001490950053 918992843 /nfs/dbraw/zinc/99/28/43/918992843.db2.gz XDEYCDRXCLZXAE-JHJVBQTASA-N 2 0 296.415 -0.156 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001490924478 918995087 /nfs/dbraw/zinc/99/50/87/918995087.db2.gz BUJBWEQBMYRKGN-JOCQHMNTSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001491025562 919011713 /nfs/dbraw/zinc/01/17/13/919011713.db2.gz AWBFQXGHHOLFDZ-FVCCEPFGSA-N 2 0 296.415 -0.029 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001491178331 919069574 /nfs/dbraw/zinc/06/95/74/919069574.db2.gz CVRDUVJYWFWHTC-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCO ZINC001491455451 919171240 /nfs/dbraw/zinc/17/12/40/919171240.db2.gz RFMWAFYJIMSUIB-NEPJUHHUSA-N 2 0 257.378 -0.054 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NC ZINC001491474601 919178757 /nfs/dbraw/zinc/17/87/57/919178757.db2.gz VLTXPCNSRLEIAP-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@@H]1CCNC1=O ZINC001491514159 919187993 /nfs/dbraw/zinc/18/79/93/919187993.db2.gz ZTTZTRIAHKSRAX-NWDGAFQWSA-N 2 0 294.399 -0.402 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001491513673 919188301 /nfs/dbraw/zinc/18/83/01/919188301.db2.gz RKJPTUURCIQQIO-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001491557281 919203921 /nfs/dbraw/zinc/20/39/21/919203921.db2.gz BYANQAYNINVKGH-AGIUHOORSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001491671651 919248733 /nfs/dbraw/zinc/24/87/33/919248733.db2.gz BMZHEBQQDDTNPF-MNOVXSKESA-N 2 0 282.388 -0.689 20 0 CBADRP CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001491674317 919251868 /nfs/dbraw/zinc/25/18/68/919251868.db2.gz NETZDMFGQLYODN-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCCC1 ZINC001491672793 919252384 /nfs/dbraw/zinc/25/23/84/919252384.db2.gz JCKDACJDAOHRQJ-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CCn1nncc1C[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001491675053 919252675 /nfs/dbraw/zinc/25/26/75/919252675.db2.gz QWJBWNFYBDGCQT-GFCCVEGCSA-N 2 0 294.403 -0.012 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001491858983 919290219 /nfs/dbraw/zinc/29/02/19/919290219.db2.gz NPOSGBHEBYCWEB-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@H]([NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001491855841 919290480 /nfs/dbraw/zinc/29/04/80/919290480.db2.gz IIKFHBXMTMATPX-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001491858981 919290967 /nfs/dbraw/zinc/29/09/67/919290967.db2.gz NPOSGBHEBYCWEB-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001491858982 919291617 /nfs/dbraw/zinc/29/16/17/919291617.db2.gz NPOSGBHEBYCWEB-OLZOCXBDSA-N 2 0 298.431 -0.101 20 0 CBADRP C[N@H+](CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001491876724 919294109 /nfs/dbraw/zinc/29/41/09/919294109.db2.gz IDAZERCKLGXPTF-NWDGAFQWSA-N 2 0 296.415 -0.027 20 0 CBADRP CN(C(=O)CC[NH+](C)C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001492012314 919313120 /nfs/dbraw/zinc/31/31/20/919313120.db2.gz ACVGRZWHJRXNCP-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001492112424 919328171 /nfs/dbraw/zinc/32/81/71/919328171.db2.gz AMRVYQOUYZZTII-NEPJUHHUSA-N 2 0 296.415 -0.299 20 0 CBADRP NC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001492177142 919332749 /nfs/dbraw/zinc/33/27/49/919332749.db2.gz DGROQOGDFJGFKV-CYBMUJFWSA-N 2 0 296.415 -0.072 20 0 CBADRP CCOCC[N@H+](C)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001492220418 919358364 /nfs/dbraw/zinc/35/83/64/919358364.db2.gz IHDHRSUONZDFHJ-GFCCVEGCSA-N 2 0 273.377 -0.599 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001492925410 919449513 /nfs/dbraw/zinc/44/95/13/919449513.db2.gz CUQILFBMXAETKH-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@@H+]1CCO ZINC001493159578 919490958 /nfs/dbraw/zinc/49/09/58/919490958.db2.gz CMNLQXVACKZUMY-KBPBESRZSA-N 2 0 299.415 -0.472 20 0 CBADRP O=C(Cc1ncc[nH]1)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001493250135 919507853 /nfs/dbraw/zinc/50/78/53/919507853.db2.gz MZKUUZUZGUTGGS-SNVBAGLBSA-N 2 0 252.318 -0.617 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001493252667 919508251 /nfs/dbraw/zinc/50/82/51/919508251.db2.gz OJEYWPWFUHSHKO-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001493235658 919509803 /nfs/dbraw/zinc/50/98/03/919509803.db2.gz XELLTGPBQUAROO-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CCO)C1 ZINC001493267541 919513993 /nfs/dbraw/zinc/51/39/93/919513993.db2.gz RGFCQUKPHCEBTO-LBPRGKRZSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC(=O)NC2CC2)C1 ZINC001493695805 919609893 /nfs/dbraw/zinc/60/98/93/919609893.db2.gz WFSLUDYIQNDEDN-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001493761422 919618244 /nfs/dbraw/zinc/61/82/44/919618244.db2.gz KCEAJLFGIJGTFL-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCNC1=O ZINC001493924491 919635810 /nfs/dbraw/zinc/63/58/10/919635810.db2.gz ZKLNIMSLGJVSTB-XQQFMLRXSA-N 2 0 294.399 -0.498 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001493931692 919637595 /nfs/dbraw/zinc/63/75/95/919637595.db2.gz RMCCKXCVMZOUFX-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC[C@@H]1CC[N@@H+](CCO)C1 ZINC001494078133 919652343 /nfs/dbraw/zinc/65/23/43/919652343.db2.gz GCKHPJXQZSEJMS-CYBMUJFWSA-N 2 0 269.389 -0.097 20 0 CBADRP CCCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001495106984 919865031 /nfs/dbraw/zinc/86/50/31/919865031.db2.gz JKCQABIWGSYFIW-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001495301401 919883082 /nfs/dbraw/zinc/88/30/82/919883082.db2.gz UHCSOQFEANHTKC-IINYFYTJSA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@](C[NH2+]CCO)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001495301874 919886976 /nfs/dbraw/zinc/88/69/76/919886976.db2.gz UYSNLZKOAXTFMB-CQSZACIVSA-N 2 0 269.389 -0.051 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001496055423 920020106 /nfs/dbraw/zinc/02/01/06/920020106.db2.gz LRGQXZGJZNCQDF-NWDGAFQWSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(N)=O)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001496083251 920022302 /nfs/dbraw/zinc/02/23/02/920022302.db2.gz WEJAENAPYPDVLE-GHMZBOCLSA-N 2 0 284.404 -0.219 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH]cn1 ZINC001496084875 920023347 /nfs/dbraw/zinc/02/33/47/920023347.db2.gz YOFCFCIXACAYTD-MNOVXSKESA-N 2 0 295.387 -0.087 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C(=O)CC[NH+](C)C ZINC001496151423 920035425 /nfs/dbraw/zinc/03/54/25/920035425.db2.gz VRARLEPBRFAQKL-GHMZBOCLSA-N 2 0 298.387 -0.820 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C(=O)CC[NH+](C)C ZINC001496151432 920035737 /nfs/dbraw/zinc/03/57/37/920035737.db2.gz VRARLEPBRFAQKL-WDEREUQCSA-N 2 0 298.387 -0.820 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCC(=O)NC1=O)N(C)C(=O)CC[NH+](C)C ZINC001496151428 920035917 /nfs/dbraw/zinc/03/59/17/920035917.db2.gz VRARLEPBRFAQKL-QWRGUYRKSA-N 2 0 298.387 -0.820 20 0 CBADRP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001496260670 920049989 /nfs/dbraw/zinc/04/99/89/920049989.db2.gz CCMQPIAPEGAGRP-RYUDHWBXSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC(=O)N(C)C ZINC001496364485 920062531 /nfs/dbraw/zinc/06/25/31/920062531.db2.gz SHJBIPZPRYEIQM-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC(=O)N(C)C ZINC001496364483 920062701 /nfs/dbraw/zinc/06/27/01/920062701.db2.gz SHJBIPZPRYEIQM-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP CC(C)[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC(N)=O ZINC001496560851 920086592 /nfs/dbraw/zinc/08/65/92/920086592.db2.gz HGYDYPLDJKTQNV-CHWSQXEVSA-N 2 0 296.415 -0.456 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001496560892 920088250 /nfs/dbraw/zinc/08/82/50/920088250.db2.gz FFGZVEYVDWUXHC-GFCCVEGCSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]CC(N)=O ZINC001496643959 920101865 /nfs/dbraw/zinc/10/18/65/920101865.db2.gz WWLHSTLUXGUABQ-NSHDSACASA-N 2 0 272.393 -0.458 20 0 CBADRP COCC[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001497001049 920201958 /nfs/dbraw/zinc/20/19/58/920201958.db2.gz DVOBTOHPRRIXNX-CYBMUJFWSA-N 2 0 299.415 -0.425 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001497004062 920202204 /nfs/dbraw/zinc/20/22/04/920202204.db2.gz UUJYKCCWOGZLNF-CHWSQXEVSA-N 2 0 299.415 -0.690 20 0 CBADRP Cc1ncoc1C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C ZINC001497049303 920226821 /nfs/dbraw/zinc/22/68/21/920226821.db2.gz VWBXNBAZFOSOGI-NSHDSACASA-N 2 0 284.360 -0.499 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]CC2CC2)C1 ZINC001497053740 920230643 /nfs/dbraw/zinc/23/06/43/920230643.db2.gz LBJXXDPCQBEGGX-WCQYABFASA-N 2 0 269.389 -0.195 20 0 CBADRP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001497220381 920272199 /nfs/dbraw/zinc/27/21/99/920272199.db2.gz QMDAZOWNMYZTDB-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP CNC(=O)C[NH2+]C/C=C/CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001497600587 920347920 /nfs/dbraw/zinc/34/79/20/920347920.db2.gz KNKBVKXIWOVAAY-ITDFMYJTSA-N 2 0 296.415 -0.131 20 0 CBADRP C[C@@H](O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001497650075 920357732 /nfs/dbraw/zinc/35/77/32/920357732.db2.gz NNPWIWQCXZOUFU-BLDJZWNYSA-N 2 0 255.362 -0.277 20 0 CBADRP CCCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001497651844 920364175 /nfs/dbraw/zinc/36/41/75/920364175.db2.gz ZOAWAPAAGGWWKC-MUBLQREKSA-N 2 0 296.415 -0.131 20 0 CBADRP CCN1CC[C@@H]([NH2+]C/C=C/CNC(=O)CC[NH+](C)C)C1=O ZINC001497676306 920366989 /nfs/dbraw/zinc/36/69/89/920366989.db2.gz XNIXNYGAFJGVFJ-URWSZGRFSA-N 2 0 296.415 -0.179 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001497797946 920387888 /nfs/dbraw/zinc/38/78/88/920387888.db2.gz NUYMAIBJMHGQPD-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@H](C[NH2+]C[C@H](C)O)NC(=O)C1([NH+](C)C)CCC1 ZINC001497827371 920405011 /nfs/dbraw/zinc/40/50/11/920405011.db2.gz JJKMJTJFPRGOTL-MNOVXSKESA-N 2 0 257.378 -0.054 20 0 CBADRP C[C@H](C[NH2+]Cc1cnn(C)c1)NC(=O)CC[NH+](C)C ZINC001497901156 920420888 /nfs/dbraw/zinc/42/08/88/920420888.db2.gz YPYYRGBNBUOTTN-LLVKDONJSA-N 2 0 267.377 -0.034 20 0 CBADRP C[C@H](C[NH2+]CCCO)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001497975918 920432562 /nfs/dbraw/zinc/43/25/62/920432562.db2.gz SXPJVNGIBTYDRR-OCCSQVGLSA-N 2 0 269.389 -0.051 20 0 CBADRP C[C@@H](C[NH2+]CCCO)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001498118559 920488291 /nfs/dbraw/zinc/48/82/91/920488291.db2.gz RQALELAYGVCUDB-RYUDHWBXSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[NH+](CC)CC(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001498195391 920515062 /nfs/dbraw/zinc/51/50/62/920515062.db2.gz KXGPAFCMGFZNSJ-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP CCN1CC[C@H]([N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001498394689 920572129 /nfs/dbraw/zinc/57/21/29/920572129.db2.gz LGHOVPONOSHFKI-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001498550844 920609325 /nfs/dbraw/zinc/60/93/25/920609325.db2.gz YRFKZSFPYSGCEV-GHMZBOCLSA-N 2 0 270.377 -0.750 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]CC(N)=O ZINC001498556202 920609656 /nfs/dbraw/zinc/60/96/56/920609656.db2.gz KKXJLIRFLAEGKV-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP Cc1nccn1CC(=O)N(C)CCC[NH2+]CC(N)=O ZINC001498653939 920623485 /nfs/dbraw/zinc/62/34/85/920623485.db2.gz VRMXYLBADVCQCT-UHFFFAOYSA-N 2 0 267.333 -0.885 20 0 CBADRP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC(=O)NC ZINC001498898633 920653433 /nfs/dbraw/zinc/65/34/33/920653433.db2.gz NXIUGEHTCVFRPH-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC001499231272 920725605 /nfs/dbraw/zinc/72/56/05/920725605.db2.gz XTEXOHFONBARIS-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@H](C(=O)NCC1([NH2+][C@@H]2CCCNC2=O)CC1)[NH+](C)C ZINC001499263413 920729558 /nfs/dbraw/zinc/72/95/58/920729558.db2.gz FRNRBYSDJAOPIO-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001499448867 920748535 /nfs/dbraw/zinc/74/85/35/920748535.db2.gz VTVMJBVAEHWZES-NXEZZACHSA-N 2 0 268.361 -0.950 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001499420447 920749082 /nfs/dbraw/zinc/74/90/82/920749082.db2.gz FBRDEHYRYJZWEW-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001499420446 920750139 /nfs/dbraw/zinc/75/01/39/920750139.db2.gz FBRDEHYRYJZWEW-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001499922758 920785385 /nfs/dbraw/zinc/78/53/85/920785385.db2.gz JECYYBSZXXZROX-YPMHNXCESA-N 2 0 296.415 -0.217 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC(=O)N(C)C ZINC001499940092 920789928 /nfs/dbraw/zinc/78/99/28/920789928.db2.gz WRQZOWCFFKYMHV-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@]1(C[NH2+]CC(N)=O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001500402447 920830611 /nfs/dbraw/zinc/83/06/11/920830611.db2.gz SNNPCFBIJJFMSL-AWEZNQCLSA-N 2 0 282.388 -0.604 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+](C[C@H]2CCOC2)C1 ZINC001500721559 920868886 /nfs/dbraw/zinc/86/88/86/920868886.db2.gz AJVLGGVSEMMDAW-HIFRSBDPSA-N 2 0 299.415 -0.472 20 0 CBADRP CCCN1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001500837022 920904921 /nfs/dbraw/zinc/90/49/21/920904921.db2.gz FKEAGYNYJSAJIX-VXGBXAGGSA-N 2 0 269.389 -0.101 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@]1(CO)CCC[NH+](CCO)C1 ZINC001501369498 920983642 /nfs/dbraw/zinc/98/36/42/920983642.db2.gz QSHUVQJDXIVDNN-AWEZNQCLSA-N 2 0 287.404 -0.738 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CCCO)CN1C(=O)CC[NH+](C)C ZINC001507323508 921812254 /nfs/dbraw/zinc/81/22/54/921812254.db2.gz XADGLSLRDMACSX-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)C[C@@H]1C ZINC001507335815 921812904 /nfs/dbraw/zinc/81/29/04/921812904.db2.gz ZBHGVYHXADQHCE-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001507497637 921857477 /nfs/dbraw/zinc/85/74/77/921857477.db2.gz OUEJAOGOYSVTAH-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP Cc1ncoc1C[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001507502579 921860902 /nfs/dbraw/zinc/86/09/02/921860902.db2.gz LARANRIZSSWFDU-GFCCVEGCSA-N 2 0 298.387 -0.156 20 0 CBADRP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)C[NH+](C)C1CCC1 ZINC001507640878 921889623 /nfs/dbraw/zinc/88/96/23/921889623.db2.gz VVJBGHXTNQRGSV-ZDUSSCGKSA-N 2 0 287.404 -0.786 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001507725931 921895670 /nfs/dbraw/zinc/89/56/70/921895670.db2.gz IUWUTMNLOSURQM-GFCCVEGCSA-N 2 0 257.378 -0.147 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H](C[NH2+][C@@H]1CCNC1=O)C(C)(C)C ZINC001508016217 921904282 /nfs/dbraw/zinc/90/42/82/921904282.db2.gz OJZWYLDMHFYPOO-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001508134314 921916697 /nfs/dbraw/zinc/91/66/97/921916697.db2.gz LAOSTVKSUPTMSN-UHFFFAOYSA-N 2 0 296.415 -0.347 20 0 CBADRP C[N@@H+]1C[C@@]23CN(C(=O)CNCC[NH3+])C[C@]2(C1)CCCC3 ZINC001515274102 922226964 /nfs/dbraw/zinc/22/69/64/922226964.db2.gz ZZRFWICAFSHJJT-GASCZTMLSA-N 2 0 280.416 -0.131 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(c2nccnc2C[NH3+])[C@H](C)C1 ZINC001515658622 922237706 /nfs/dbraw/zinc/23/77/06/922237706.db2.gz JMWKTCBXPNGELL-MNOVXSKESA-N 2 0 265.361 -0.173 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001521159283 922336593 /nfs/dbraw/zinc/33/65/93/922336593.db2.gz ZPXNJQLIIONCTD-WOPDTQHZSA-N 2 0 254.378 -0.511 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001521158352 922337537 /nfs/dbraw/zinc/33/75/37/922337537.db2.gz LQPDOOMFNFLBLQ-QJPTWQEYSA-N 2 0 254.378 -0.526 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001521194662 922338560 /nfs/dbraw/zinc/33/85/60/922338560.db2.gz LDDKMWRQRZSYGQ-LBPRGKRZSA-N 2 0 285.388 -0.551 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCC[NH+]1CCCC1 ZINC001521414669 922352722 /nfs/dbraw/zinc/35/27/22/922352722.db2.gz MQAZRHWDRLDISV-NWDGAFQWSA-N 2 0 257.378 -0.195 20 0 CBADRP CC1CC[NH+](CCCNC(=O)CNCC[NH3+])CC1 ZINC001521415715 922354743 /nfs/dbraw/zinc/35/47/43/922354743.db2.gz XTQUGWHVKOXABR-UHFFFAOYSA-N 2 0 256.394 -0.227 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001521438884 922355280 /nfs/dbraw/zinc/35/52/80/922355280.db2.gz JAAJQMQFMRHAQS-JQWIXIFHSA-N 2 0 255.362 -0.456 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001521470002 922356045 /nfs/dbraw/zinc/35/60/45/922356045.db2.gz MSDKASHUCHGMNM-UHFFFAOYSA-N 2 0 299.415 -0.297 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001521940941 922392309 /nfs/dbraw/zinc/39/23/09/922392309.db2.gz VBMZALFZKHRMOC-VXGBXAGGSA-N 2 0 256.394 -0.419 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001521454203 922359056 /nfs/dbraw/zinc/35/90/56/922359056.db2.gz FYFUGWUNAVLGGO-GMXVVIOVSA-N 2 0 257.378 -0.054 20 0 CBADRP C[NH+]1CCN(c2ccc(NC(=O)CNCC[NH3+])cc2)CC1 ZINC001521503653 922359807 /nfs/dbraw/zinc/35/98/07/922359807.db2.gz JFBODYTVQBZAGR-UHFFFAOYSA-N 2 0 291.399 -0.075 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001521504518 922361138 /nfs/dbraw/zinc/36/11/38/922361138.db2.gz WORSACHFCRHGEA-UHFFFAOYSA-N 2 0 298.431 -0.770 20 0 CBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](O)C[NH3+])C1 ZINC001521496159 922361469 /nfs/dbraw/zinc/36/14/69/922361469.db2.gz PJDSDKZFFOJEQJ-NWDGAFQWSA-N 2 0 257.378 -0.114 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001521508066 922361786 /nfs/dbraw/zinc/36/17/86/922361786.db2.gz OPPJQHZMUBTNLE-BXKDBHETSA-N 2 0 254.334 -0.404 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC001521533668 922364525 /nfs/dbraw/zinc/36/45/25/922364525.db2.gz LGKYMWBAQZFKLJ-DYEKYZERSA-N 2 0 266.389 -0.428 20 0 CBADRP [NH3+]CC1(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC(O)C1 ZINC001521513797 922364906 /nfs/dbraw/zinc/36/49/06/922364906.db2.gz YAZRIACZPHIGIO-VKVJQFQGSA-N 2 0 267.373 -0.328 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC001521533667 922365145 /nfs/dbraw/zinc/36/51/45/922365145.db2.gz LGKYMWBAQZFKLJ-BZPMIXESSA-N 2 0 266.389 -0.428 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001521527829 922366877 /nfs/dbraw/zinc/36/68/77/922366877.db2.gz VOAFZCUCRRCIHB-LLVKDONJSA-N 2 0 255.362 -0.312 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC001521533669 922367051 /nfs/dbraw/zinc/36/70/51/922367051.db2.gz LGKYMWBAQZFKLJ-MBNYWOFBSA-N 2 0 266.389 -0.428 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001521739538 922377861 /nfs/dbraw/zinc/37/78/61/922377861.db2.gz BSSVSODKEQCCJK-NXEZZACHSA-N 2 0 261.391 -0.439 20 0 CBADRP [NH3+][C@H]1CCC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001521858436 922386663 /nfs/dbraw/zinc/38/66/63/922386663.db2.gz LTWYIZWYMKCMCK-UHXUPSOCSA-N 2 0 267.373 -0.001 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001521929492 922391021 /nfs/dbraw/zinc/39/10/21/922391021.db2.gz CIXFALNDGPDXBL-QWHCGFSZSA-N 2 0 269.389 -0.066 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC001522251275 922404914 /nfs/dbraw/zinc/40/49/14/922404914.db2.gz QYVYUXAINPKSPV-VXGBXAGGSA-N 2 0 257.378 -0.195 20 0 CBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001522299044 922405971 /nfs/dbraw/zinc/40/59/71/922405971.db2.gz XDIQFGXRSHREKE-IFQILLTASA-N 2 0 269.389 -0.019 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2NC(=O)C[C@]23CC[NH2+]C3)C1 ZINC001522310279 922407163 /nfs/dbraw/zinc/40/71/63/922407163.db2.gz AQHHYKATYKENFD-GWCFXTLKSA-N 2 0 266.345 -0.676 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001522404892 922409213 /nfs/dbraw/zinc/40/92/13/922409213.db2.gz CXSXKSFGAAUNIT-RNJXMRFFSA-N 2 0 269.267 -0.708 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001522406231 922410368 /nfs/dbraw/zinc/41/03/68/922410368.db2.gz VKECUXVGZBIBIE-SRVKXCTJSA-N 2 0 267.373 -0.144 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCCC[C@H]1C[NH3+] ZINC001522444901 922417707 /nfs/dbraw/zinc/41/77/07/922417707.db2.gz IFJCNKVFBHLYFH-AVGNSLFASA-N 2 0 266.389 -0.286 20 0 CBADRP CCN(C(=O)C[NH+]1CCC(CO)CC1)[C@@H]1CC[NH2+]C1 ZINC001522480943 922420149 /nfs/dbraw/zinc/42/01/49/922420149.db2.gz DHAJFWOXGWMDGE-CYBMUJFWSA-N 2 0 269.389 -0.099 20 0 CBADRP CC(C)[C@@H](C(=O)NCCNC(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001522657515 922498801 /nfs/dbraw/zinc/49/88/01/922498801.db2.gz JRBFZNPSNVNMRV-AWEZNQCLSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+](C)CCC(=O)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001522763098 922517094 /nfs/dbraw/zinc/51/70/94/922517094.db2.gz KLVSIGURWPQUKT-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP CCO[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)O)C[NH+](C)C ZINC001522889179 922546493 /nfs/dbraw/zinc/54/64/93/922546493.db2.gz BASMAOAHRUHQMD-VHSXEESVSA-N 2 0 261.366 -0.833 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)C1 ZINC001523009513 922558811 /nfs/dbraw/zinc/55/88/11/922558811.db2.gz GVMRRGNXJNDQEJ-JFGNBEQYSA-N 2 0 259.325 -0.754 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC001523009625 922558930 /nfs/dbraw/zinc/55/89/30/922558930.db2.gz HPQHDXFAEGYHAS-WZRBSPASSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@H]1CC[NH2+][C@@H](C(=O)N2CCNCC[NH2+]CC2)C1 ZINC001523000581 922559201 /nfs/dbraw/zinc/55/92/01/922559201.db2.gz WHQSWXODARIGQR-NWDGAFQWSA-N 2 0 254.378 -0.604 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@H]2[NH2+]CC23CCCC3)C1 ZINC001523011026 922562625 /nfs/dbraw/zinc/56/26/25/922562625.db2.gz YZLNXQVKDDQEBO-BXUZGUMPSA-N 2 0 267.373 -0.169 20 0 CBADRP O=C(N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001523055882 922565621 /nfs/dbraw/zinc/56/56/21/922565621.db2.gz DLQMJUTZNDJBNQ-OPDFLTKYSA-N 2 0 265.357 -0.710 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001523229449 922577112 /nfs/dbraw/zinc/57/71/12/922577112.db2.gz QIVNTOCPDACKSS-NTZNESFSSA-N 2 0 253.346 -0.153 20 0 CBADRP C[C@]1(C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C[C@@H](O)C[NH2+]1 ZINC001523228230 922577466 /nfs/dbraw/zinc/57/74/66/922577466.db2.gz DHXCFRUUSFQBMO-BNOWGMLFSA-N 2 0 267.373 -0.156 20 0 CBADRP CN1CCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC[N@H+](C)CC1 ZINC001523482659 922595945 /nfs/dbraw/zinc/59/59/45/922595945.db2.gz UQBWLSSMJCSIGZ-UKRRQHHQSA-N 2 0 280.416 -0.308 20 0 CBADRP [NH3+]C[C@@]1(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCCOC1 ZINC001523500147 922596754 /nfs/dbraw/zinc/59/67/54/922596754.db2.gz OCPFYKHSZURWIK-WGBDABJCSA-N 2 0 253.346 -0.249 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001523571960 922600250 /nfs/dbraw/zinc/60/02/50/922600250.db2.gz MCBUFSYTHJNTPR-NTZNESFSSA-N 2 0 255.362 -0.443 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC001523605142 922601135 /nfs/dbraw/zinc/60/11/35/922601135.db2.gz DZPFHGFJIKSQGY-DCAQKATOSA-N 2 0 254.378 -0.349 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001523622858 922603051 /nfs/dbraw/zinc/60/30/51/922603051.db2.gz HCDVCSGINPQWJA-GVXVVHGQSA-N 2 0 254.378 -0.476 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001524029224 922613677 /nfs/dbraw/zinc/61/36/77/922613677.db2.gz KDLKGHGLGJHMFG-SRVKXCTJSA-N 2 0 256.394 -0.280 20 0 CBADRP C[C@@H](NC(=O)C1(C)C[NH2+]C1)[C@H]1C[N@H+](C)CCN1C ZINC001524028515 922615695 /nfs/dbraw/zinc/61/56/95/922615695.db2.gz CCWSVBGEVQJXBH-GHMZBOCLSA-N 2 0 254.378 -0.654 20 0 CBADRP CN(C(=O)C[C@@H]1CSCC[NH2+]1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001524119826 922621261 /nfs/dbraw/zinc/62/12/61/922621261.db2.gz KQTMFAKIRWANJH-SVDPJWKOSA-N 2 0 255.387 -0.242 20 0 CBADRP COC[C@@]1(C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[NH2+]C1 ZINC001524120510 922621273 /nfs/dbraw/zinc/62/12/73/922621273.db2.gz WMSAYMDSCRILGM-MPPDQPJWSA-N 2 0 253.346 -0.711 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@H]1CC[NH+](C)C1 ZINC001527473546 922755329 /nfs/dbraw/zinc/75/53/29/922755329.db2.gz GLMLGSQHINFAME-JHJVBQTASA-N 2 0 266.389 -0.557 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CCNC(=O)C[NH+]1CCCC1 ZINC001528176707 922814024 /nfs/dbraw/zinc/81/40/24/922814024.db2.gz SXVIISNONYDZFE-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001534141337 923140566 /nfs/dbraw/zinc/14/05/66/923140566.db2.gz NNJLFLPEFKZTOU-YNEHKIRRSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)[C@H]1CCC[NH+]1C ZINC001534329664 923144243 /nfs/dbraw/zinc/14/42/43/923144243.db2.gz DTWIDCRVOCELCK-RWMBFGLXSA-N 2 0 296.415 -0.204 20 0 CBADRP [NH3+]C[C@@H](C(=O)N1CCCO[C@H](C[NH3+])C1)C1CCOCC1 ZINC001548433708 923353438 /nfs/dbraw/zinc/35/34/38/923353438.db2.gz LUDLLPONKTYLDC-CHWSQXEVSA-N 2 0 285.388 -0.436 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC001548492018 923358684 /nfs/dbraw/zinc/35/86/84/923358684.db2.gz QJLPDRSLRNBYAL-HIFRSBDPSA-N 2 0 296.415 -0.754 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001548550440 923375408 /nfs/dbraw/zinc/37/54/08/923375408.db2.gz GODNBYHKSPIYBZ-KGLIPLIRSA-N 2 0 280.416 -0.023 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001548554391 923376672 /nfs/dbraw/zinc/37/66/72/923376672.db2.gz GPWFQHAEYKBMGD-OCCSQVGLSA-N 2 0 292.383 -0.053 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001548554140 923377162 /nfs/dbraw/zinc/37/71/62/923377162.db2.gz RNXJDFIDXGIVAM-FQUUOJAGSA-N 2 0 299.415 -0.740 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC001548556018 923378931 /nfs/dbraw/zinc/37/89/31/923378931.db2.gz ZSDWUTQWSMPIDH-TZMCWYRMSA-N 2 0 267.373 -0.156 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001548557439 923379370 /nfs/dbraw/zinc/37/93/70/923379370.db2.gz NDJZHZRAOIKTMW-CMPLNLGQSA-N 2 0 280.372 -0.001 20 0 CBADRP C[NH2+]C1CC(C(=O)N2CCNC[C@H]2c2nccn2C)C1 ZINC001548557613 923379572 /nfs/dbraw/zinc/37/95/72/923379572.db2.gz JACIHKNLRYLGIB-MCIGGMRASA-N 2 0 277.372 -0.109 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N(CC[NH3+])Cc1ccccc1 ZINC001548557437 923380003 /nfs/dbraw/zinc/38/00/03/923380003.db2.gz NAUYPUKEMKXVKY-CQSZACIVSA-N 2 0 276.384 -0.123 20 0 CBADRP C[C@@H](c1cccnc1)N1CCN(C(=O)C[C@@H](O)C[NH3+])CC1 ZINC001548555601 923380418 /nfs/dbraw/zinc/38/04/18/923380418.db2.gz TYWDFFZCRBJFFB-GXTWGEPZSA-N 2 0 292.383 -0.004 20 0 CBADRP [NH3+]CC[C@H](NC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2)C(F)F ZINC001548557284 923380489 /nfs/dbraw/zinc/38/04/89/923380489.db2.gz VDPMBUHMINCRCW-QPUJVOFHSA-N 2 0 290.314 -0.016 20 0 CBADRP COc1ccccc1[C@@H]1CNCCN1C(=O)C[C@@H](O)C[NH3+] ZINC001548557638 923380658 /nfs/dbraw/zinc/38/06/58/923380658.db2.gz JEPYSZAGTSKVDC-YPMHNXCESA-N 2 0 293.367 -0.122 20 0 CBADRP O=C(C1=NO[C@]2(C1)CCC[NH2+]C2)N1CCN(CCO)CC1 ZINC001548557038 923380932 /nfs/dbraw/zinc/38/09/32/923380932.db2.gz FCHRFLSQWPUHMR-AWEZNQCLSA-N 2 0 296.371 -0.979 20 0 CBADRP O=C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548557842 923382158 /nfs/dbraw/zinc/38/21/58/923382158.db2.gz OCLIDYZLAWJZOA-NMKXLXIOSA-N 2 0 265.357 -0.282 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC001548558082 923383235 /nfs/dbraw/zinc/38/32/35/923383235.db2.gz MQGAYOOEOUCNEP-RRFJBIMHSA-N 2 0 288.395 -0.157 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CCO3)C1 ZINC001548559021 923384464 /nfs/dbraw/zinc/38/44/64/923384464.db2.gz SUYYAWGGJWNKSA-SCRDCRAPSA-N 2 0 267.373 -0.048 20 0 CBADRP C[NH+]1CCN(c2ccc(NC(=O)C[C@H](O)C[NH3+])cn2)CC1 ZINC001548559462 923384717 /nfs/dbraw/zinc/38/47/17/923384717.db2.gz PQQULHRSOFUBRX-LBPRGKRZSA-N 2 0 293.371 -0.518 20 0 CBADRP C[NH2+]C1CC(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC001548563634 923386148 /nfs/dbraw/zinc/38/61/48/923386148.db2.gz SUKMUTJFZIVHAJ-XMTWOHMPSA-N 2 0 277.372 -0.329 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NCC[C@H]1CSCC[NH2+]1 ZINC001548564821 923386432 /nfs/dbraw/zinc/38/64/32/923386432.db2.gz GVVJUJRZJRGWTA-AAEUAGOBSA-N 2 0 287.429 -0.298 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548563183 923387322 /nfs/dbraw/zinc/38/73/22/923387322.db2.gz XNWDVVQGHOAZPA-NOHGZBONSA-N 2 0 253.346 -0.378 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC001548561236 923387403 /nfs/dbraw/zinc/38/74/03/923387403.db2.gz JLCFOSITKXTFTE-HZSPNIEDSA-N 2 0 280.416 -0.119 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001548568431 923388852 /nfs/dbraw/zinc/38/88/52/923388852.db2.gz GUMCRXSQCBZUTM-VHSXEESVSA-N 2 0 271.386 -0.671 20 0 CBADRP COc1cccc([C@@H]([NH3+])C(=O)N[C@H]2COC3(C[NH2+]C3)C2)c1 ZINC001548569157 923389030 /nfs/dbraw/zinc/38/90/30/923389030.db2.gz MBOODQYCCCMJDB-DGCLKSJQSA-N 2 0 291.351 -0.058 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001548570097 923394551 /nfs/dbraw/zinc/39/45/51/923394551.db2.gz VBVWVMNVLQXYLS-GXFFZTMASA-N 2 0 294.355 -0.868 20 0 CBADRP COc1cccc(C[C@@H]([NH3+])C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC001548573025 923397162 /nfs/dbraw/zinc/39/71/62/923397162.db2.gz BYUPWCANKCLEEY-UPJWGTAASA-N 2 0 279.340 -0.986 20 0 CBADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1CCO3)C2 ZINC001548573600 923397287 /nfs/dbraw/zinc/39/72/87/923397287.db2.gz ITTQTZIMFTYPOT-XWUBHJNHSA-N 2 0 265.357 -0.295 20 0 CBADRP CC1(C)CN(C(=O)C[NH2+]C[C@H]2CCCO2)CC2(C[NH2+]C2)O1 ZINC001548575381 923399896 /nfs/dbraw/zinc/39/98/96/923399896.db2.gz AXBDFXXFXPDFPP-GFCCVEGCSA-N 2 0 297.399 -0.266 20 0 CBADRP O=C([C@H]1CC12CC[NH2+]CC2)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001548574467 923400091 /nfs/dbraw/zinc/40/00/91/923400091.db2.gz BMFRGCNOCMNTKS-CHWSQXEVSA-N 2 0 281.400 -0.051 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001548574749 923400597 /nfs/dbraw/zinc/40/05/97/923400597.db2.gz JOZSFTQXLJHELT-OCCSQVGLSA-N 2 0 285.388 -0.936 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001548574747 923400782 /nfs/dbraw/zinc/40/07/82/923400782.db2.gz JOZSFTQXLJHELT-GXTWGEPZSA-N 2 0 285.388 -0.936 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001548574750 923400794 /nfs/dbraw/zinc/40/07/94/923400794.db2.gz JOZSFTQXLJHELT-TZMCWYRMSA-N 2 0 285.388 -0.936 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001548574534 923400851 /nfs/dbraw/zinc/40/08/51/923400851.db2.gz FVDJYJFCMGBQNU-RYUDHWBXSA-N 2 0 287.429 -0.346 20 0 CBADRP CC1(C)CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC2(C[NH2+]C2)O1 ZINC001548575572 923401287 /nfs/dbraw/zinc/40/12/87/923401287.db2.gz FMSLDFVEJYSJEN-MGCOHNPYSA-N 2 0 253.346 -0.297 20 0 CBADRP CC1(C)CN(C(=O)[C@H]([NH3+])CC(F)F)CC2(C[NH2+]C2)O1 ZINC001548580036 923403519 /nfs/dbraw/zinc/40/35/19/923403519.db2.gz VQHIUTJJNVLELH-MRVPVSSYSA-N 2 0 277.315 -0.052 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001548582708 923406071 /nfs/dbraw/zinc/40/60/71/923406071.db2.gz IFRSJKUAPWYOSL-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1CCO3)C2 ZINC001548581589 923406958 /nfs/dbraw/zinc/40/69/58/923406958.db2.gz MCXXFZVBEMOVLC-WVWOOGAGSA-N 2 0 265.357 -0.567 20 0 CBADRP O=C(N1CCC2(CC1)C[NH2+]CCO2)[C@]12C[NH2+]C[C@H]1COC2 ZINC001548586677 923408250 /nfs/dbraw/zinc/40/82/50/923408250.db2.gz PZRUZUFGNREPAX-WFASDCNBSA-N 2 0 295.383 -0.797 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC001548640574 923419615 /nfs/dbraw/zinc/41/96/15/923419615.db2.gz WXIHGWSBIYRIIX-MGPQQGTHSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C)[NH+](C)C1CC1 ZINC001548640223 923420056 /nfs/dbraw/zinc/42/00/56/923420056.db2.gz PITXVFDAXWFECC-OUCADQQQSA-N 2 0 280.416 -0.026 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCN2C[C@H]3C)CC1 ZINC001548643798 923425874 /nfs/dbraw/zinc/42/58/74/923425874.db2.gz VIMBKAKZMUKPLJ-ZIAGYGMSSA-N 2 0 280.416 -0.071 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[NH+]2CCN1C[C@H]2C ZINC001548667432 923439295 /nfs/dbraw/zinc/43/92/95/923439295.db2.gz WBJLBEOHBVAIDB-RJZRQDKASA-N 2 0 292.427 -0.026 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)CC[NH+](C)C1CC1 ZINC001548687843 923447059 /nfs/dbraw/zinc/44/70/59/923447059.db2.gz OWZFYXFDPQTMJS-OCCSQVGLSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC1([NH+](C)C)CCC1 ZINC001548690490 923453376 /nfs/dbraw/zinc/45/33/76/923453376.db2.gz OWTPZQPASSHHRP-CHWSQXEVSA-N 2 0 280.416 -0.025 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC1(C[NH+](C)C)CCC1 ZINC001548700205 923458025 /nfs/dbraw/zinc/45/80/25/923458025.db2.gz STDOAMMVBPBSSB-CHWSQXEVSA-N 2 0 280.416 -0.025 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC001548725924 923479934 /nfs/dbraw/zinc/47/99/34/923479934.db2.gz KTOUJLZUJJZMTK-LXTVHRRPSA-N 2 0 292.427 -0.215 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC([NH+]2CCCC2)C1 ZINC001548726933 923480554 /nfs/dbraw/zinc/48/05/54/923480554.db2.gz AIKYZBNBARISAG-GXTWGEPZSA-N 2 0 278.400 -0.319 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC001548731533 923481916 /nfs/dbraw/zinc/48/19/16/923481916.db2.gz GTEBDGCEIPEXRH-RDBSUJKOSA-N 2 0 278.400 -0.319 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001548747536 923491715 /nfs/dbraw/zinc/49/17/15/923491715.db2.gz PNQRQRDDOOIWNB-DZGCQCFKSA-N 2 0 299.415 -0.520 20 0 CBADRP O=C(c1cn([C@H]2CC[NH2+]C2)nn1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC001548939932 923516746 /nfs/dbraw/zinc/51/67/46/923516746.db2.gz YIWWIMLUHBKPQS-SMDDNHRTSA-N 2 0 290.371 -0.219 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001549033385 923526652 /nfs/dbraw/zinc/52/66/52/923526652.db2.gz GACIUBZTQRYQKB-SRVKXCTJSA-N 2 0 265.361 -0.344 20 0 CBADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001549044057 923528822 /nfs/dbraw/zinc/52/88/22/923528822.db2.gz XAKATJFBLAUGBG-KGLIPLIRSA-N 3 0 280.416 -0.260 20 0 CBADRP Nc1cc[nH+]cc1C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549044757 923533067 /nfs/dbraw/zinc/53/30/67/923533067.db2.gz CJZRJWSPFBOMFJ-NWDGAFQWSA-N 2 0 262.313 -0.303 20 0 CBADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549044983 923533130 /nfs/dbraw/zinc/53/31/30/923533130.db2.gz NEYGLMHZWYNADQ-NEPJUHHUSA-N 2 0 291.355 -0.742 20 0 CBADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549044984 923535011 /nfs/dbraw/zinc/53/50/11/923535011.db2.gz NEYGLMHZWYNADQ-NWDGAFQWSA-N 2 0 291.355 -0.742 20 0 CBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549045061 923536546 /nfs/dbraw/zinc/53/65/46/923536546.db2.gz SDJDECZNHMNSMG-ROHXPCBUSA-N 2 0 251.330 -0.959 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001549046344 923539102 /nfs/dbraw/zinc/53/91/02/923539102.db2.gz PQQCXXWECVAWMN-CYDGBPFRSA-N 2 0 267.373 -0.443 20 0 CBADRP [NH3+][C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)sc2C1 ZINC001549045650 923539289 /nfs/dbraw/zinc/53/92/89/923539289.db2.gz GAVGGOYKKANZIW-BHNWBGBOSA-N 2 0 282.369 -0.380 20 0 CBADRP [NH3+]Cc1cc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)co1 ZINC001549045660 923539308 /nfs/dbraw/zinc/53/93/08/923539308.db2.gz GDEIYLYCYUKWTG-LBPRGKRZSA-N 2 0 278.356 -0.142 20 0 CBADRP COC[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001549046245 923539743 /nfs/dbraw/zinc/53/97/43/923539743.db2.gz PZCITJSQICNXOS-RQJHMYQMSA-N 2 0 270.358 -0.129 20 0 CBADRP [NH3+][C@H](CC(F)F)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549045761 923540078 /nfs/dbraw/zinc/54/00/78/923540078.db2.gz ISQXWYLCUQVCEH-VHSXEESVSA-N 2 0 276.331 -0.525 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001549045800 923540234 /nfs/dbraw/zinc/54/02/34/923540234.db2.gz SBVLRFMBUCPAEV-CRWXNKLISA-N 2 0 281.400 -0.053 20 0 CBADRP O=C(C1CC[NH2+]CC1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549045193 923540495 /nfs/dbraw/zinc/54/04/95/923540495.db2.gz KBPULRMFOVLBIA-RYUDHWBXSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+]CC(=O)NCC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001549045866 923540528 /nfs/dbraw/zinc/54/05/28/923540528.db2.gz GDZWMMVMXBLANC-UHFFFAOYSA-N 2 0 278.312 -0.818 20 0 CBADRP COC1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[NH2+]CC1 ZINC001549046115 923540692 /nfs/dbraw/zinc/54/06/92/923540692.db2.gz HUHREBVAEAKDHS-NSHDSACASA-N 2 0 271.361 -0.750 20 0 CBADRP [NH3+]CC1(C(=O)NC[C@H]2C[NH2+]CCCO2)CCOCC1 ZINC001549046128 923540705 /nfs/dbraw/zinc/54/07/05/923540705.db2.gz IRCTVRHHLLYZSA-LLVKDONJSA-N 2 0 271.361 -0.763 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@H]1C[NH2+]CCCO1)C1CCOCC1 ZINC001549046124 923541145 /nfs/dbraw/zinc/54/11/45/923541145.db2.gz IERRVCOQTGEXHI-NEPJUHHUSA-N 2 0 271.361 -0.765 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001549047132 923542651 /nfs/dbraw/zinc/54/26/51/923542651.db2.gz KXPALBGCJDHOAN-CMPLNLGQSA-N 2 0 280.376 -0.244 20 0 CBADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC001549047297 923542672 /nfs/dbraw/zinc/54/26/72/923542672.db2.gz NVTOUSIBJHEFQV-REWJHTLYSA-N 2 0 297.399 -0.546 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001549047267 923543440 /nfs/dbraw/zinc/54/34/40/923543440.db2.gz MYSIAAOLKGTHRT-KOLCDFICSA-N 2 0 266.349 -0.362 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC001549047288 923544007 /nfs/dbraw/zinc/54/40/07/923544007.db2.gz NJZPQCIWOXJCIT-FRRDWIJNSA-N 2 0 285.388 -0.295 20 0 CBADRP [NH3+]Cc1cc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)ccn1 ZINC001549046614 923544951 /nfs/dbraw/zinc/54/49/51/923544951.db2.gz XUWYPZCCXTZJCC-AWEZNQCLSA-N 2 0 289.383 -0.340 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C[C@@H]3CCC[NH2+]3)C[C@H]2[NH3+])cn1 ZINC001549048474 923545885 /nfs/dbraw/zinc/54/58/85/923545885.db2.gz MHZUMAPUNXUQDB-RWMBFGLXSA-N 2 0 277.372 -0.185 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3CC[NH2+]C3)C2)nn1 ZINC001549047624 923546430 /nfs/dbraw/zinc/54/64/30/923546430.db2.gz UYMGAERWNFSZEM-PWSUYJOCSA-N 2 0 278.360 -0.490 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[NH2+]C3)C[C@H]2[NH3+])cn1 ZINC001549048997 923546741 /nfs/dbraw/zinc/54/67/41/923546741.db2.gz ZVELHVQQDWWGQN-ADEWGFFLSA-N 2 0 263.345 -0.717 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC001549048234 923546766 /nfs/dbraw/zinc/54/67/66/923546766.db2.gz BOWMVJTVSBUZSK-OCCSQVGLSA-N 2 0 282.388 -0.560 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001549048903 923547459 /nfs/dbraw/zinc/54/74/59/923547459.db2.gz VACRJGSWQBUPSU-DCAQKATOSA-N 2 0 251.334 -0.590 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549049021 923548243 /nfs/dbraw/zinc/54/82/43/923548243.db2.gz ALLHXCCQLFRDNO-TUAOUCFPSA-N 2 0 281.360 -0.963 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C[C@H]([NH3+])C3CC3)C[C@@H]2[NH3+])cn1 ZINC001549049701 923549357 /nfs/dbraw/zinc/54/93/57/923549357.db2.gz GSXKRJGKBUQKSL-AVGNSLFASA-N 2 0 277.372 -0.199 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@]34CC[NH2+]C4)C[C@H]2[NH3+])cn1 ZINC001549052185 923549893 /nfs/dbraw/zinc/54/98/93/923549893.db2.gz WDQAYEKPSMSHGG-XPCVCDNBSA-N 2 0 289.383 -0.327 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)CC3([NH3+])CCC3)C[C@@H]2[NH3+])cn1 ZINC001549051959 923550195 /nfs/dbraw/zinc/55/01/95/923550195.db2.gz VFWBSTQENJRQQL-RYUDHWBXSA-N 2 0 277.372 -0.055 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])C2CCOCC2)CCCO1 ZINC001549050606 923550261 /nfs/dbraw/zinc/55/02/61/923550261.db2.gz OUNJXNMLQFVMLL-RYUDHWBXSA-N 2 0 271.361 -0.684 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)CC(C)(C)[NH3+])C[C@@H]2[NH3+])cn1 ZINC001549050882 923551131 /nfs/dbraw/zinc/55/11/31/923551131.db2.gz QBESKWUYUWABBL-QWRGUYRKSA-N 2 0 265.361 -0.199 20 0 CBADRP O=C1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2N2CC[C@@H](O)C2)N1 ZINC001549077162 923553600 /nfs/dbraw/zinc/55/36/00/923553600.db2.gz XZPLPJUORKBXRI-FDYHWXHSSA-N 2 0 267.373 -0.158 20 0 CBADRP O=C1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2N2CC[C@H](O)C2)N1 ZINC001549077165 923554295 /nfs/dbraw/zinc/55/42/95/923554295.db2.gz XZPLPJUORKBXRI-YVECIDJPSA-N 2 0 267.373 -0.158 20 0 CBADRP CC(=O)N1CC[C@]([NH3+])(C(=O)N2C[C@H]3CCC[C@@]3(C[NH3+])C2)C1 ZINC001549126836 923559640 /nfs/dbraw/zinc/55/96/40/923559640.db2.gz FETXLTPJAAKDEU-BPLDGKMQSA-N 2 0 294.399 -0.477 20 0 CBADRP O=C([C@@H]1CCC[NH2+]CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549122122 923560022 /nfs/dbraw/zinc/56/00/22/923560022.db2.gz OYNUOAPHIPZQDR-KGLIPLIRSA-N 2 0 280.416 -0.118 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001549127874 923560099 /nfs/dbraw/zinc/56/00/99/923560099.db2.gz HAIYHNPSAZPHBQ-MDZLAQPJSA-N 2 0 255.362 -0.062 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)C[C@H]1C[NH2+]CCO1)C2 ZINC001549128590 923560276 /nfs/dbraw/zinc/56/02/76/923560276.db2.gz FHDYMRQXSQGPRP-DYEKYZERSA-N 2 0 267.373 -0.048 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001549124764 923560575 /nfs/dbraw/zinc/56/05/75/923560575.db2.gz ZRLONGRSHQIOPB-RNJOBUHISA-N 2 0 285.388 -0.295 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2C(F)(F)F)CCCO1 ZINC001549125038 923561554 /nfs/dbraw/zinc/56/15/54/923561554.db2.gz YWVWIHFTZWNIRU-UTLUCORTSA-N 2 0 295.305 -0.040 20 0 CBADRP O=C(N1CC[C@]2(CCC[NH2+]2)C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001549124088 923561663 /nfs/dbraw/zinc/56/16/63/923561663.db2.gz NTHQNLTURNKAKE-MRVWCRGKSA-N 2 0 265.357 -0.423 20 0 CBADRP CC(=O)N1CC[C@]([NH3+])(C(=O)N2C[C@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001549126839 923561681 /nfs/dbraw/zinc/56/16/81/923561681.db2.gz FETXLTPJAAKDEU-VHDGCEQUSA-N 2 0 294.399 -0.477 20 0 CBADRP C[C@H]1C[N@H+](CCC[NH3+])C[C@@H]1C(=O)N1CCOCC1 ZINC001549175670 923566854 /nfs/dbraw/zinc/56/68/54/923566854.db2.gz NHTCFMAKKINDOP-RYUDHWBXSA-N 2 0 255.362 -0.238 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001549287424 923578245 /nfs/dbraw/zinc/57/82/45/923578245.db2.gz MHYGVXOJOZZOPJ-OPDFLTKYSA-N 2 0 267.373 -0.062 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001549287422 923578354 /nfs/dbraw/zinc/57/83/54/923578354.db2.gz MHYGVXOJOZZOPJ-MNXVOIDGSA-N 2 0 267.373 -0.062 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C2(O)C[NH2+]C2)C[C@@H]1c1ccccc1F ZINC001549292222 923580145 /nfs/dbraw/zinc/58/01/45/923580145.db2.gz PBXNNNJVKOXSOH-ZYHUDNBSSA-N 2 0 279.315 -0.587 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C[C@H]1F)NC[C@H]1C[NH2+]CCCO1 ZINC001549291627 923581192 /nfs/dbraw/zinc/58/11/92/923581192.db2.gz HBKRHCVBUYKINV-QJPTWQEYSA-N 2 0 273.352 -0.181 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CCCO1 ZINC001549292815 923581272 /nfs/dbraw/zinc/58/12/72/923581272.db2.gz SCXBCOWSSKJKLR-MNOVXSKESA-N 2 0 293.371 -0.324 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)CC3([NH3+])CC3)C[C@H]2[NH3+])cn1 ZINC001549292929 923581569 /nfs/dbraw/zinc/58/15/69/923581569.db2.gz PWTGLLJTFXRKIA-GHMZBOCLSA-N 2 0 263.345 -0.445 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)C[C@H]2CC[NH2+]C[C@H]2F)CCCO1 ZINC001549291558 923581875 /nfs/dbraw/zinc/58/18/75/923581875.db2.gz ILUPZTHFLOPYRC-IJLUTSLNSA-N 2 0 273.352 -0.100 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)nn1 ZINC001549293437 923582335 /nfs/dbraw/zinc/58/23/35/923582335.db2.gz VNOUNBGSSFPSAZ-LBPRGKRZSA-N 2 0 264.333 -0.795 20 0 CBADRP Cc1c(C(=O)N2CC3CC2(C[NH3+])C3)nnn1[C@@H]1CC[NH2+]C1 ZINC001549298180 923584491 /nfs/dbraw/zinc/58/44/91/923584491.db2.gz BMBMABVRELWZLH-IQLKVPPVSA-N 2 0 290.371 -0.316 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)C1(C[NH3+])CCOCC1 ZINC001549298383 923585689 /nfs/dbraw/zinc/58/56/89/923585689.db2.gz LYKBVWDCYUPWJL-UHFFFAOYSA-N 2 0 253.346 -0.308 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2C[C@@H]3CCC[C@@]3(C[NH3+])C2)nn1 ZINC001549293747 923585876 /nfs/dbraw/zinc/58/58/76/923585876.db2.gz ZJNDTCLRVUIAPS-GXFFZTMASA-N 2 0 278.360 -0.562 20 0 CBADRP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001549302696 923586979 /nfs/dbraw/zinc/58/69/79/923586979.db2.gz UNQMHVVKKMFBRC-IHRRRGAJSA-N 2 0 281.400 -0.053 20 0 CBADRP [NH3+][C@@H](C(=O)NCC12CC(C1)C[NH2+]2)C1CCOCC1 ZINC001549299831 923587547 /nfs/dbraw/zinc/58/75/47/923587547.db2.gz LRIBLTFAAQETOY-DMLGSKKGSA-N 2 0 253.346 -0.392 20 0 CBADRP C[NH2+]CCC(=O)NCc1cccc(N2CC[C@H]([NH3+])C2)n1 ZINC001549724948 923629421 /nfs/dbraw/zinc/62/94/21/923629421.db2.gz JKUNMKKPMOTBGG-NSHDSACASA-N 2 0 277.372 -0.155 20 0 CBADRP C[C@H](C[NH3+])C(=O)NCc1cccc(N2CC[C@@H]([NH3+])C2)n1 ZINC001549724768 923631009 /nfs/dbraw/zinc/63/10/09/923631009.db2.gz FLUNITGSOQIAAR-GHMZBOCLSA-N 2 0 277.372 -0.170 20 0 CBADRP CCC[C@H]([NH3+])C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549728913 923632344 /nfs/dbraw/zinc/63/23/44/923632344.db2.gz TZLKOBGIHPMFCW-OBJOEFQTSA-N 2 0 296.415 -0.123 20 0 CBADRP O=C(C[NH2+]C1CC1)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549731003 923632492 /nfs/dbraw/zinc/63/24/92/923632492.db2.gz LKBSIYNISZWHNN-SWLSCSKDSA-N 2 0 294.399 -0.499 20 0 CBADRP O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC001549728930 923633463 /nfs/dbraw/zinc/63/34/63/923633463.db2.gz UYFBPYORKNGKTP-MBNYWOFBSA-N 2 0 294.399 -0.641 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549728325 923633561 /nfs/dbraw/zinc/63/35/61/923633561.db2.gz OOMMEIYLJIQFIO-JKOKRWQUSA-N 2 0 296.415 -0.395 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1 ZINC001549735826 923635148 /nfs/dbraw/zinc/63/51/48/923635148.db2.gz NJLYNRMPWTUGKV-UTLUCORTSA-N 2 0 251.334 -0.590 20 0 CBADRP C[NH2+]CCC(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1 ZINC001549735913 923635848 /nfs/dbraw/zinc/63/58/48/923635848.db2.gz HGFCPRGUGYJRPI-ZJUUUORDSA-N 2 0 251.334 -0.717 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@]3(C)CC[NH2+]C3)C[C@H]2[NH3+])c1 ZINC001549734599 923636000 /nfs/dbraw/zinc/63/60/00/923636000.db2.gz FUTZYEMVYYUQIY-JTNHKYCSSA-N 2 0 277.372 -0.327 20 0 CBADRP C[NH2+]CCC(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549735911 923636138 /nfs/dbraw/zinc/63/61/38/923636138.db2.gz HGFCPRGUGYJRPI-VHSXEESVSA-N 2 0 251.334 -0.717 20 0 CBADRP CC[NH2+]CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH3+])C1 ZINC001549736230 923636242 /nfs/dbraw/zinc/63/62/42/923636242.db2.gz RBNDYMGFPIDUND-NXEZZACHSA-N 2 0 251.334 -0.717 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@]34CC[NH2+]C4)C[C@H]2[NH3+])c1 ZINC001549735192 923636379 /nfs/dbraw/zinc/63/63/79/923636379.db2.gz FJVRGWJBPNDFEW-ZAZJYDDPSA-N 2 0 289.383 -0.327 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[NH2+]C3)C[C@@H]2[NH3+])c1 ZINC001549736886 923636644 /nfs/dbraw/zinc/63/66/44/923636644.db2.gz YZWLZQWRGDHSBT-UTUOFQBUSA-N 2 0 277.372 -0.327 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[NH2+]3)C[C@@H]2[NH3+])c1 ZINC001549736723 923636703 /nfs/dbraw/zinc/63/67/03/923636703.db2.gz VLTATBUSHAWUQQ-OUAUKWLOSA-N 2 0 263.345 -0.575 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1 ZINC001549735387 923636740 /nfs/dbraw/zinc/63/67/40/923636740.db2.gz KDMDYBFPJBKUCO-SCVCMEIPSA-N 2 0 265.361 -0.344 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1 ZINC001549743777 923638756 /nfs/dbraw/zinc/63/87/56/923638756.db2.gz UOHFPAHZZQVPDD-WCQGTBRESA-N 2 0 277.372 -0.186 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)C3([NH3+])CCC3)C[C@@H]2[NH3+])c1 ZINC001549745601 923639560 /nfs/dbraw/zinc/63/95/60/923639560.db2.gz ZYRSWJQBRLETSG-ZJUUUORDSA-N 2 0 263.345 -0.445 20 0 CBADRP [NH3+]C[C@H](C(=O)NC[C@H]1C[NH2+]CCCO1)C1CCOCC1 ZINC001549751411 923641415 /nfs/dbraw/zinc/64/14/15/923641415.db2.gz VZNNYYOFRRDDNU-OLZOCXBDSA-N 2 0 285.388 -0.517 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)Nc1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001549747158 923641725 /nfs/dbraw/zinc/64/17/25/923641725.db2.gz RLOKYBTVCLVTCJ-ZJUUUORDSA-N 2 0 279.344 -0.196 20 0 CBADRP O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001549884954 923644351 /nfs/dbraw/zinc/64/43/51/923644351.db2.gz LHQMNPHCHKHZDG-QTFMQBAUSA-N 2 0 279.384 -0.131 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CCC1(C)C ZINC001549902235 923648779 /nfs/dbraw/zinc/64/87/79/923648779.db2.gz SANFZDUAMSIKQO-GFCCVEGCSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](C(=O)N1C[C@@H](n2ccnn2)[C@H]([NH+](C)C)C1)[NH+](C)C ZINC001549950976 923654716 /nfs/dbraw/zinc/65/47/16/923654716.db2.gz IVZIBHQUYOACLN-IJLUTSLNSA-N 2 0 280.376 -0.458 20 0 CBADRP C[C@H](C(=O)N1C[C@H](n2ccnn2)[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC001549950979 923655125 /nfs/dbraw/zinc/65/51/25/923655125.db2.gz IVZIBHQUYOACLN-WOPDTQHZSA-N 2 0 280.376 -0.458 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001550073519 923665854 /nfs/dbraw/zinc/66/58/54/923665854.db2.gz NDBDGCQKOJVVNW-DCAQKATOSA-N 2 0 253.346 -0.249 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](C(=O)N[C@H]2CC[NH2+]C23CCC3)O1 ZINC001550073597 923667616 /nfs/dbraw/zinc/66/76/16/923667616.db2.gz WSGCKDKTLJDIPF-VWYCJHECSA-N 2 0 253.346 -0.236 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550081534 923669565 /nfs/dbraw/zinc/66/95/65/923669565.db2.gz QBXLAJDFWPOLKE-SRVKXCTJSA-N 2 0 267.373 -0.144 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550084682 923670007 /nfs/dbraw/zinc/67/00/07/923670007.db2.gz KCNRHIKJYZSBCF-NWDGAFQWSA-N 2 0 267.373 -0.129 20 0 CBADRP CO[C@@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CC23CC[NH2+]CC3)C1 ZINC001550085075 923670133 /nfs/dbraw/zinc/67/01/33/923670133.db2.gz GROAHCLVNYRPPP-SRVKXCTJSA-N 2 0 267.373 -0.131 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H]2CC23CC[NH2+]CC3)C1 ZINC001550085072 923670337 /nfs/dbraw/zinc/67/03/37/923670337.db2.gz GROAHCLVNYRPPP-GRYCIOLGSA-N 2 0 267.373 -0.131 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CC23CC[NH2+]CC3)C1 ZINC001550085073 923670505 /nfs/dbraw/zinc/67/05/05/923670505.db2.gz GROAHCLVNYRPPP-SDDRHHMPSA-N 2 0 267.373 -0.131 20 0 CBADRP O=C(C[NH2+]C1CC1)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087588 923671557 /nfs/dbraw/zinc/67/15/57/923671557.db2.gz XWCGSJQXGYNLEW-NSHDSACASA-N 2 0 264.333 -0.819 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087162 923671584 /nfs/dbraw/zinc/67/15/84/923671584.db2.gz OQXYTHLFMMLQTM-CABZTGNLSA-N 2 0 278.360 -0.431 20 0 CBADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC001550087499 923671908 /nfs/dbraw/zinc/67/19/08/923671908.db2.gz VWRDEVYXTIEDOS-HKWIRBFKSA-N 2 0 276.344 -0.821 20 0 CBADRP [NH3+]C1(CC(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)CCC1 ZINC001550088514 923674334 /nfs/dbraw/zinc/67/43/34/923674334.db2.gz QSAPZJVTTNSQKI-NSHDSACASA-N 2 0 278.360 -0.300 20 0 CBADRP CC(C)([NH3+])CC(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550088948 923675159 /nfs/dbraw/zinc/67/51/59/923675159.db2.gz ZBRHQIYYCSBBBD-SNVBAGLBSA-N 2 0 266.349 -0.444 20 0 CBADRP C[C@]1(C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)CC[NH2+]C1 ZINC001550088931 923675331 /nfs/dbraw/zinc/67/53/31/923675331.db2.gz YJOWKXCMEMLILH-YPMHNXCESA-N 2 0 278.360 -0.572 20 0 CBADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1CCCC[NH2+]1 ZINC001550088607 923676155 /nfs/dbraw/zinc/67/61/55/923676155.db2.gz UTPKIKIQMINJOT-VXGBXAGGSA-N 2 0 278.360 -0.429 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCCC[NH2+]C3)C2)nn1 ZINC001550096925 923677120 /nfs/dbraw/zinc/67/71/20/923677120.db2.gz SCRAFMQCAKFVNB-AAEUAGOBSA-N 2 0 292.387 -0.100 20 0 CBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3CC[NH2+]C3)CC2)C1=O ZINC001550093150 923677284 /nfs/dbraw/zinc/67/72/84/923677284.db2.gz XZSVLCXMQPDSAR-DGCLKSJQSA-N 2 0 294.399 -0.593 20 0 CBADRP CC[NH2+]CC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001550092574 923677573 /nfs/dbraw/zinc/67/75/73/923677573.db2.gz JBSWOWYYUQDKGR-GFCCVEGCSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC001550095995 923678120 /nfs/dbraw/zinc/67/81/20/923678120.db2.gz SUDKKXJQRWUODY-GFCCVEGCSA-N 2 0 292.387 -0.148 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCCC[NH2+]C3)C2)nn1 ZINC001550096928 923678210 /nfs/dbraw/zinc/67/82/10/923678210.db2.gz SCRAFMQCAKFVNB-WCQYABFASA-N 2 0 292.387 -0.100 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@H](n3cc(C[NH3+])nn3)C2)CCC[NH2+]1 ZINC001550094875 923678680 /nfs/dbraw/zinc/67/86/80/923678680.db2.gz ZAZKOKPRWULFLM-AAEUAGOBSA-N 2 0 278.360 -0.348 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001550093096 923678952 /nfs/dbraw/zinc/67/89/52/923678952.db2.gz UCVARZXWRCSEOB-GVXVVHGQSA-N 2 0 296.415 -0.219 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001550093148 923679504 /nfs/dbraw/zinc/67/95/04/923679504.db2.gz XPNUPIBGYDJKLV-YPMHNXCESA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH2+][C@H](C)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001550093156 923679649 /nfs/dbraw/zinc/67/96/49/923679649.db2.gz YBJCBVYXLPOZAL-ZYHUDNBSSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001550094830 923679918 /nfs/dbraw/zinc/67/99/18/923679918.db2.gz AGHIVKZEHHCJEY-CABZTGNLSA-N 2 0 278.360 -0.349 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001550094964 923680215 /nfs/dbraw/zinc/68/02/15/923680215.db2.gz AVVDTJTZNWSVKO-WCFLWFBJSA-N 2 0 292.387 -0.102 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001550096996 923681487 /nfs/dbraw/zinc/68/14/87/923681487.db2.gz WPQGRGZRACTPHA-USWWRNFRSA-N 2 0 278.360 -0.634 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCC[NH2+]3)C2)nn1 ZINC001550097265 923682360 /nfs/dbraw/zinc/68/23/60/923682360.db2.gz HZORMGIRLNSYKM-QWRGUYRKSA-N 2 0 264.333 -0.738 20 0 CBADRP CC[NH2+]CC(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001550097502 923682407 /nfs/dbraw/zinc/68/24/07/923682407.db2.gz RCEKHLMHUUZHAA-SNVBAGLBSA-N 2 0 252.322 -0.880 20 0 CBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550104951 923683319 /nfs/dbraw/zinc/68/33/19/923683319.db2.gz JFVYRYDBZONWIB-NTWDBFDFSA-N 2 0 267.373 -0.003 20 0 CBADRP O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC001550104814 923683998 /nfs/dbraw/zinc/68/39/98/923683998.db2.gz BHMRWNLIPVNYSP-FGLXMSFASA-N 2 0 253.346 -0.644 20 0 CBADRP [NH3+]CCn1cc(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1 ZINC001550104538 923684170 /nfs/dbraw/zinc/68/41/70/923684170.db2.gz HLRQOXQCBYJEPC-FGWVZKOKSA-N 2 0 278.360 -0.503 20 0 CBADRP O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1C[NH2+]CCOC1 ZINC001550108273 923686162 /nfs/dbraw/zinc/68/61/62/923686162.db2.gz NCXXZTNZNKYRHZ-FOIKRFTLSA-N 2 0 267.373 -0.131 20 0 CBADRP C[C@H](C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[NH+](C)C ZINC001550112112 923686424 /nfs/dbraw/zinc/68/64/24/923686424.db2.gz SZTMZUQSWQPYEH-OSMZGAPFSA-N 2 0 296.415 -0.301 20 0 CBADRP CC(=O)N1CC[C@@]([NH3+])(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001550108376 923686741 /nfs/dbraw/zinc/68/67/41/923686741.db2.gz PXVZWKUDOCHLKN-FLTXBFBQSA-N 2 0 294.399 -0.417 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001550110105 923687661 /nfs/dbraw/zinc/68/76/61/923687661.db2.gz FAMHXHYXQVQREG-MDZLAQPJSA-N 2 0 290.371 -0.221 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001550109088 923687935 /nfs/dbraw/zinc/68/79/35/923687935.db2.gz OYBJTIOORPNLTK-USZNOCQGSA-N 2 0 253.346 -0.297 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550116803 923689531 /nfs/dbraw/zinc/68/95/31/923689531.db2.gz RVRWNAJCLNXCEE-QWHCGFSZSA-N 2 0 268.405 -0.182 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)C(C)(C)C[NH3+])C2)CC1 ZINC001550117355 923689781 /nfs/dbraw/zinc/68/97/81/923689781.db2.gz YSVHJJMHLZYXKO-GFCCVEGCSA-N 2 0 268.405 -0.180 20 0 CBADRP [NH3+]CC12CC(NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)(C1)C2 ZINC001550118933 923689983 /nfs/dbraw/zinc/68/99/83/923689983.db2.gz KZUQAEVRFDYCDN-GWMXKSKGSA-N 2 0 280.372 -0.758 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)C[C@@H]([NH3+])C3CC3)C2)CC1 ZINC001550117059 923690207 /nfs/dbraw/zinc/69/02/07/923690207.db2.gz UHHNSHNTDQWLPF-UONOGXRCSA-N 2 0 280.416 -0.038 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001550117405 923690554 /nfs/dbraw/zinc/69/05/54/923690554.db2.gz XZUPKIHDOQSVKN-MISXGVKJSA-N 2 0 280.372 -0.745 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550117275 923691059 /nfs/dbraw/zinc/69/10/59/923691059.db2.gz XRTBVINUVAUZOS-RYUDHWBXSA-N 2 0 254.378 -0.557 20 0 CBADRP C[C@]12C[NH2+]C[C@@H]1CN(C(=O)c1cn([C@@H]3CC[NH2+]C3)nn1)C2 ZINC001550117466 923691696 /nfs/dbraw/zinc/69/16/96/923691696.db2.gz WDBXMJYYDZIFSR-JTNHKYCSSA-N 2 0 290.371 -0.506 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)C[C@H]([NH3+])C3CC3)C2)CC1 ZINC001550117056 923691823 /nfs/dbraw/zinc/69/18/23/923691823.db2.gz UHHNSHNTDQWLPF-KBPBESRZSA-N 2 0 280.416 -0.038 20 0 CBADRP COC[C@@]1(C(=O)NC23CC(C[NH3+])(C2)C3)CC[NH2+]C1 ZINC001550118817 923692352 /nfs/dbraw/zinc/69/23/52/923692352.db2.gz OPAJYISQYMCVLD-OTTFEQOBSA-N 2 0 253.346 -0.390 20 0 CBADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC001550121843 923696929 /nfs/dbraw/zinc/69/69/29/923696929.db2.gz BDWAESAISJMJGY-JHJVBQTASA-N 2 0 294.399 -0.450 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N[C@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001550188053 923707906 /nfs/dbraw/zinc/70/79/06/923707906.db2.gz ZKPGZUDGOKJHOV-RWMBFGLXSA-N 2 0 263.341 -0.168 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[NH2+]CC3(C)C)C[C@H]2[NH3+])c1 ZINC001550195019 923708917 /nfs/dbraw/zinc/70/89/17/923708917.db2.gz UBILTBPPNAZCDT-IJLUTSLNSA-N 2 0 291.399 -0.081 20 0 CBADRP [NH3+][C@H](CC1CC1)C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550190373 923710382 /nfs/dbraw/zinc/71/03/82/923710382.db2.gz UPQMRKDGQUMFGD-NWDGAFQWSA-N 2 0 278.360 -0.444 20 0 CBADRP COc1ccc([C@@H]2CN(C(=O)[C@@H](C[NH3+])OC)C[C@@H]2[NH3+])cc1 ZINC001550189908 923710964 /nfs/dbraw/zinc/71/09/64/923710964.db2.gz XHCLEDFJXVZARM-MELADBBJSA-N 2 0 293.367 -0.078 20 0 CBADRP O=C([C@@H]1C[NH2+]CCOC1)N1CC[NH2+]CCC12CCC2 ZINC001550200438 923710991 /nfs/dbraw/zinc/71/09/91/923710991.db2.gz IEQORQPQPOOYSA-GFCCVEGCSA-N 2 0 267.373 -0.033 20 0 CBADRP C[NH2+]CC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001550200189 923711179 /nfs/dbraw/zinc/71/11/79/923711179.db2.gz SPZSERRDWMEXSB-UHFFFAOYSA-N 2 0 282.388 -0.462 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001550232590 923713866 /nfs/dbraw/zinc/71/38/66/923713866.db2.gz GLYCKNWYXOASHI-DGCLKSJQSA-N 2 0 255.362 -0.048 20 0 CBADRP CC(=O)NCC(=O)N1CCC[N@H+](C[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC001550349447 923721332 /nfs/dbraw/zinc/72/13/32/923721332.db2.gz XBIFPSBQZVVXCH-KBPBESRZSA-N 2 0 296.415 -0.216 20 0 CBADRP Cc1cc(N2C[C@@H](n3ccnn3)[C@@H]([NH+](C)C)C2)nc(N)[nH+]1 ZINC001550635294 923732418 /nfs/dbraw/zinc/73/24/18/923732418.db2.gz WZADGHUFQNLENZ-WDEREUQCSA-N 2 0 288.359 -0.050 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CCCO1 ZINC001550720639 923736681 /nfs/dbraw/zinc/73/66/81/923736681.db2.gz LDSCVIGWOJCMHA-RHYQMDGZSA-N 2 0 269.345 -0.918 20 0 CBADRP O[C@@H]1C[C@@H]2CN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC[N@@H+]2C1 ZINC001550701603 923737104 /nfs/dbraw/zinc/73/71/04/923737104.db2.gz GQTWUGJCSYCXMU-KFWWJZLASA-N 2 0 295.427 -0.104 20 0 CBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]3OCC[C@H]3[NH2+]1)C2 ZINC001550724051 923737810 /nfs/dbraw/zinc/73/78/10/923737810.db2.gz UYXNMADKHXFTJX-JLDUMIBSSA-N 2 0 265.357 -0.154 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001550721760 923738888 /nfs/dbraw/zinc/73/88/88/923738888.db2.gz PHEHNJUTOJOGMT-YYHQMBLXSA-N 2 0 281.356 -0.905 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001550729911 923740210 /nfs/dbraw/zinc/74/02/10/923740210.db2.gz CFJHIFUMPMJVTO-AVGNSLFASA-N 2 0 282.388 -0.384 20 0 CBADRP [NH3+][C@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC12CCC2 ZINC001550732635 923740343 /nfs/dbraw/zinc/74/03/43/923740343.db2.gz HJTRCPIPWAIMHZ-RYUDHWBXSA-N 2 0 282.388 -0.112 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC001550731973 923741852 /nfs/dbraw/zinc/74/18/52/923741852.db2.gz PUYJVIVZOBBTJG-MNOVXSKESA-N 2 0 256.350 -0.502 20 0 CBADRP CO[C@@H]1C[C@H](C[NH3+])N(C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC001550736869 923743401 /nfs/dbraw/zinc/74/34/01/923743401.db2.gz RXLYKHIROITIQV-IJLUTSLNSA-N 2 0 286.376 -0.878 20 0 CBADRP [NH3+][C@]12CC[C@H]1CN(C(=O)NCC13CC(C1)C[NH2+]3)C2 ZINC001550743965 923743487 /nfs/dbraw/zinc/74/34/87/923743487.db2.gz NFVGOYIBFPEIMV-MZYPSXCRSA-N 2 0 250.346 -0.129 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)CC12CCOCC2 ZINC001550740680 923743534 /nfs/dbraw/zinc/74/35/34/923743534.db2.gz GIKMYGIPFIHMKP-MQYJIDSJSA-N 2 0 294.399 -0.112 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001550733892 923743702 /nfs/dbraw/zinc/74/37/02/923743702.db2.gz XNEROOBRSSRKPZ-GRYCIOLGSA-N 2 0 270.377 -0.480 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001550741782 923743797 /nfs/dbraw/zinc/74/37/97/923743797.db2.gz CQBZVSJUBPNGBX-NWDGAFQWSA-N 2 0 282.388 -0.099 20 0 CBADRP [NH3+][C@H]1CCOC[C@H]1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC001550745344 923744845 /nfs/dbraw/zinc/74/48/45/923744845.db2.gz RWCGWSMVXSPYBT-MBPTXSFVSA-N 2 0 254.334 -0.846 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC001550745856 923744885 /nfs/dbraw/zinc/74/48/85/923744885.db2.gz MPIKKVQBXFMWQH-YPMHNXCESA-N 2 0 282.388 -0.234 20 0 CBADRP [NH3+][C@H]1CCOC[C@H]1NC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550750552 923746924 /nfs/dbraw/zinc/74/69/24/923746924.db2.gz MYWBJVNYGKMELZ-NTWDBFDFSA-N 2 0 282.388 -0.068 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550754899 923747596 /nfs/dbraw/zinc/74/75/96/923747596.db2.gz DJLRORSRYVDSNQ-QWRGUYRKSA-N 2 0 270.377 -0.209 20 0 CBADRP O=C1CC[C@H]([NH2+]C[C@@H]2C[C@H](F)CN2)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550914525 923755104 /nfs/dbraw/zinc/75/51/04/923755104.db2.gz VLDADWNKLPDPQL-PWNZVWSESA-N 3 0 298.406 -0.077 20 0 CBADRP O=C(CN1CC[NH2+]CCC12CCOCC2)N1CC[NH2+]CC1 ZINC001551390960 923770284 /nfs/dbraw/zinc/77/02/84/923770284.db2.gz IYWFPRZGYHQDGW-UHFFFAOYSA-N 2 0 296.415 -0.737 20 0 CBADRP CNC(=O)[C@@]12C[N@H+](C[C@@H]3C[NH2+]C[C@H]3C)C[C@H]1COCC2 ZINC001551411275 923780229 /nfs/dbraw/zinc/78/02/29/923780229.db2.gz SDMHVJBUTVFFOJ-OSFYFWSMSA-N 2 0 281.400 -0.074 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[NH2+]CCC12CCOCC2 ZINC001551463454 923794938 /nfs/dbraw/zinc/79/49/38/923794938.db2.gz JVKGZFCZTJIYRF-CYBMUJFWSA-N 2 0 297.399 -0.264 20 0 CBADRP [NH3+][C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C12CCC2 ZINC001551462681 923795023 /nfs/dbraw/zinc/79/50/23/923795023.db2.gz DGDIUBYLLWLHHH-ROHXPCBUSA-N 2 0 265.357 -0.108 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001551460556 923795933 /nfs/dbraw/zinc/79/59/33/923795933.db2.gz AKXMHBSIWWNHQP-NSHDSACASA-N 2 0 271.361 -0.669 20 0 CBADRP [NH3+][C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C12CCC2 ZINC001551462655 923796452 /nfs/dbraw/zinc/79/64/52/923796452.db2.gz DGDIUBYLLWLHHH-IIRVCBMXSA-N 2 0 265.357 -0.108 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC12CCOCC2 ZINC001551466285 923797447 /nfs/dbraw/zinc/79/74/47/923797447.db2.gz RWSGXKZSEGOFMN-WUHRBBMRSA-N 2 0 295.383 -0.528 20 0 CBADRP [NH3+]C1(CNC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001551465960 923799263 /nfs/dbraw/zinc/79/92/63/923799263.db2.gz KHFKHONRVPLPNU-LLVKDONJSA-N 2 0 282.388 -0.064 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N2CC[NH2+]CCC23CCOCC3)O1 ZINC001551467694 923799306 /nfs/dbraw/zinc/79/93/06/923799306.db2.gz LUJVSZQFDHCNKT-CHWSQXEVSA-N 2 0 297.399 -0.266 20 0 CBADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001551501907 923800027 /nfs/dbraw/zinc/80/00/27/923800027.db2.gz FXLCFYDDVCLRAA-IACUBPJLSA-N 2 0 290.367 -0.101 20 0 CBADRP [NH3+][C@H]1CC12CCC(NC(=O)NC[C@@H]1COCC[NH2+]1)CC2 ZINC001551549873 923802218 /nfs/dbraw/zinc/80/22/18/923802218.db2.gz KIJXELPRIFIWHA-BEVNXUHPSA-N 2 0 282.388 -0.066 20 0 CBADRP [NH3+][C@H]1CC12CCC(NC(=O)NC[C@H]1COCC[NH2+]1)CC2 ZINC001551549870 923802449 /nfs/dbraw/zinc/80/24/49/923802449.db2.gz KIJXELPRIFIWHA-ATJQQHLPSA-N 2 0 282.388 -0.066 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)NC1CC2(C[C@@H]2[NH3+])C1 ZINC001551572227 923804338 /nfs/dbraw/zinc/80/43/38/923804338.db2.gz YTZZZJJPAVRIPA-ATJQQHLPSA-N 2 0 282.388 -0.114 20 0 CBADRP [NH3+][C@@H]1CC12CCC(NC(=O)NC[C@@H]1C[NH2+]CCO1)CC2 ZINC001551573260 923805209 /nfs/dbraw/zinc/80/52/09/923805209.db2.gz WGHDIMHGDAQWDC-MRFPXMQZSA-N 2 0 282.388 -0.066 20 0 CBADRP CN1CCN(C(=O)NC2CCC3(C[C@H]3[NH3+])CC2)[C@H](C[NH3+])C1 ZINC001551569983 923805776 /nfs/dbraw/zinc/80/57/76/923805776.db2.gz NHOXLUMLAAFHJO-DNCHLWJUSA-N 2 0 295.431 -0.069 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001551586866 923805838 /nfs/dbraw/zinc/80/58/38/923805838.db2.gz ITIZFKMOIVAEII-JJMZSNKZSA-N 2 0 282.388 -0.114 20 0 CBADRP CN1CCN(C(=O)NC2CC3(C[C@H]3[NH3+])C2)[C@@H](C[NH3+])C1 ZINC001551614403 923807749 /nfs/dbraw/zinc/80/77/49/923807749.db2.gz TYSAJHLRSQSJHI-PCQVFGIUSA-N 2 0 267.377 -0.850 20 0 CBADRP C[C@@H]1CN(C(=O)NC2CC3(C[C@H]3[NH3+])C2)C[C@H](C)[N@H+]1CCO ZINC001551604298 923807818 /nfs/dbraw/zinc/80/78/18/923807818.db2.gz GBLPDHHLGWYPNM-CZAVRGAYSA-N 2 0 296.415 -0.037 20 0 CBADRP CN1CCN(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)[C@@H](C[NH3+])C1 ZINC001551614413 923808105 /nfs/dbraw/zinc/80/81/05/923808105.db2.gz TYSAJHLRSQSJHI-ZRZGDYATSA-N 2 0 267.377 -0.850 20 0 CBADRP C[C@@H]1CN(C(=O)NC2CC3(C[C@H]3[NH3+])C2)C[C@@H](C)[NH+]1CCO ZINC001551604301 923808583 /nfs/dbraw/zinc/80/85/83/923808583.db2.gz GBLPDHHLGWYPNM-ZZWMRVEDSA-N 2 0 296.415 -0.037 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CC[C@@H]([NH3+])[C@H]2C)cnn1C ZINC001552085937 923826548 /nfs/dbraw/zinc/82/65/48/923826548.db2.gz CGNQELWLMNWIRT-VZZFWQQMSA-N 2 0 291.399 -0.020 20 0 CBADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552086434 923828312 /nfs/dbraw/zinc/82/83/12/923828312.db2.gz GVCNROHOHQHJRH-UTLUCORTSA-N 2 0 264.333 -0.626 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2C[C@H](C)[C@H]([NH3+])C2)cnn1C ZINC001552091554 923831787 /nfs/dbraw/zinc/83/17/87/923831787.db2.gz ZCUQRMAYHUZRFS-NZPIUUIZSA-N 2 0 291.399 -0.163 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)NCC3([NH3+])CCC3)C[C@@H]2[NH3+])cn1 ZINC001552107274 923833455 /nfs/dbraw/zinc/83/34/55/923833455.db2.gz KWKUFLMGYRPXPX-NEPJUHHUSA-N 2 0 292.387 -0.262 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)NC[C@H]3CCC[NH2+]3)C[C@@H]2[NH3+])cn1 ZINC001552110020 923835021 /nfs/dbraw/zinc/83/50/21/923835021.db2.gz REVWTIFQQYWPIW-AGIUHOORSA-N 2 0 292.387 -0.392 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C2CC[NH2+]CC2)CCO1 ZINC001552158636 923836551 /nfs/dbraw/zinc/83/65/51/923836551.db2.gz ODPHBBASNHXBHJ-JHJVBQTASA-N 2 0 267.373 -0.192 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001552157978 923837225 /nfs/dbraw/zinc/83/72/25/923837225.db2.gz AMCNIKVOMOVQGV-GMTAPVOTSA-N 2 0 276.344 -0.896 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+]C1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552160849 923839519 /nfs/dbraw/zinc/83/95/19/923839519.db2.gz IWHLHKZAZVVVQM-NXEZZACHSA-N 2 0 264.333 -0.848 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552161364 923839597 /nfs/dbraw/zinc/83/95/97/923839597.db2.gz MALGIMNHDLLOQJ-NXEZZACHSA-N 2 0 264.333 -0.754 20 0 CBADRP O=C(c1cn([C@H]2CC[NH2+]C2)nn1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC001552161391 923839721 /nfs/dbraw/zinc/83/97/21/923839721.db2.gz NDBNOTZYGPJVCI-RYUDHWBXSA-N 2 0 290.371 -0.221 20 0 CBADRP [NH3+]C[C@@H]1CCCN1C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552160754 923840226 /nfs/dbraw/zinc/84/02/26/923840226.db2.gz JDDVAJDAJCXRHB-UWVGGRQHSA-N 2 0 264.333 -0.624 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CC[C@@H]([NH3+])C2)cnn1C ZINC001552160391 923840678 /nfs/dbraw/zinc/84/06/78/923840678.db2.gz AARQOUURLUOCMQ-WXHSDQCUSA-N 2 0 277.372 -0.409 20 0 CBADRP [NH3+]C[C@H]1CCCCN1C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552163347 923841913 /nfs/dbraw/zinc/84/19/13/923841913.db2.gz OOHJNKZECDNOJY-GHMZBOCLSA-N 2 0 278.360 -0.234 20 0 CBADRP C[C@H](NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1CCC[NH2+]C1 ZINC001552163509 923842045 /nfs/dbraw/zinc/84/20/45/923842045.db2.gz SESUSHDEIVWJLJ-SDDRHHMPSA-N 2 0 292.387 -0.070 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H]2CCC[NH2+]C2)cnn1C ZINC001552162416 923842477 /nfs/dbraw/zinc/84/24/77/923842477.db2.gz ZINMYFXJFWZBOI-XBFCOCLRSA-N 2 0 291.399 -0.100 20 0 CBADRP C[C@@H](NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[C@H](C)[NH3+] ZINC001552163304 923842536 /nfs/dbraw/zinc/84/25/36/923842536.db2.gz FCBOTLDSAZTGEV-DJLDLDEBSA-N 2 0 252.322 -0.722 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N[C@@H](C)CC[NH3+])cnn1C ZINC001552162135 923843134 /nfs/dbraw/zinc/84/31/34/923843134.db2.gz WAAYNAIVXJMMTI-TVYUQYBPSA-N 2 0 279.388 -0.115 20 0 CBADRP O=C(c1cn([C@H]2CC[NH2+]C2)nn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC001552177199 923844555 /nfs/dbraw/zinc/84/45/55/923844555.db2.gz CQBIQSWGRWSMLP-RYUDHWBXSA-N 2 0 290.371 -0.267 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552164166 923845556 /nfs/dbraw/zinc/84/55/56/923845556.db2.gz OUWKWRRUTZVJQG-VWYCJHECSA-N 2 0 278.360 -0.460 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC001552167944 923845664 /nfs/dbraw/zinc/84/56/64/923845664.db2.gz ZWUHWZYPBRGGMP-WDEREUQCSA-N 2 0 278.360 -0.506 20 0 CBADRP [NH3+]CC[C@H](NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)C(F)F ZINC001552164475 923845789 /nfs/dbraw/zinc/84/57/89/923845789.db2.gz VWNGUKAOABDCHM-SFYZADRCSA-N 2 0 288.302 -0.475 20 0 CBADRP C[NH2+]C[C@@H]1C[C@@H](F)CN1C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552164321 923846030 /nfs/dbraw/zinc/84/60/30/923846030.db2.gz SFJYVFIFMNJWBM-VWYCJHECSA-N 2 0 296.350 -0.416 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552194712 923846671 /nfs/dbraw/zinc/84/66/71/923846671.db2.gz QHFFCSPRLXBCMT-SCRDCRAPSA-N 2 0 267.373 -0.320 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552195268 923847252 /nfs/dbraw/zinc/84/72/52/923847252.db2.gz YQCKWBJALJNERU-WZRBSPASSA-N 2 0 253.346 -0.567 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552193769 923848023 /nfs/dbraw/zinc/84/80/23/923848023.db2.gz DTMPZBODBGBHIX-DMDPSCGWSA-N 2 0 253.346 -0.580 20 0 CBADRP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552194085 923848230 /nfs/dbraw/zinc/84/82/30/923848230.db2.gz JXAKKQRTRNVVRY-MBUVOIIYSA-N 2 0 265.357 -0.378 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552193944 923848349 /nfs/dbraw/zinc/84/83/49/923848349.db2.gz HTXXUQSFHPTBQQ-WCQYABFASA-N 2 0 253.346 -0.662 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552194723 923848498 /nfs/dbraw/zinc/84/84/98/923848498.db2.gz QJBNGHWYUFSKRW-LOWVWBTDSA-N 2 0 253.346 -0.662 20 0 CBADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552200626 923856967 /nfs/dbraw/zinc/85/69/67/923856967.db2.gz SEEYNLASFBPZOA-SGMGOOAPSA-N 2 0 267.373 -0.177 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552200739 923859307 /nfs/dbraw/zinc/85/93/07/923859307.db2.gz VWDBVSWILWJWDD-MDZLAQPJSA-N 2 0 253.346 -0.567 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552200974 923859571 /nfs/dbraw/zinc/85/95/71/923859571.db2.gz YGQIOHFZACCAAZ-SWLSCSKDSA-N 2 0 297.399 -0.551 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552201733 923860633 /nfs/dbraw/zinc/86/06/33/923860633.db2.gz VDHBHXYCATYHIM-NFAWXSAZSA-N 2 0 297.399 -0.551 20 0 CBADRP CC1(CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC[NH2+]CC1 ZINC001552202451 923861728 /nfs/dbraw/zinc/86/17/28/923861728.db2.gz GGCOLOOYZSBNSH-SMDDNHRTSA-N 2 0 267.373 -0.272 20 0 CBADRP CC(C)[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC[NH2+]1 ZINC001552203090 923862371 /nfs/dbraw/zinc/86/23/71/923862371.db2.gz VRHGNPRFXRSGIC-DYEKYZERSA-N 2 0 267.373 -0.321 20 0 CBADRP O=C(N1CC[C@]2(CC[NH2+]C2)C1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552202723 923862408 /nfs/dbraw/zinc/86/24/08/923862408.db2.gz NITADFCTKSYWMQ-XBFCOCLRSA-N 2 0 265.357 -0.566 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@@]12C[NH2+]C[C@H]1COC2)C(F)F ZINC001552202962 923862535 /nfs/dbraw/zinc/86/25/35/923862535.db2.gz BCGVUJUATMSLGW-DKCNOQQISA-N 2 0 263.288 -0.679 20 0 CBADRP O=C(N1CC[C@@]2(C1)CCC[NH2+]C2)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552202137 923862961 /nfs/dbraw/zinc/86/29/61/923862961.db2.gz AQKXERXABNYLTK-VHDGCEQUSA-N 2 0 279.384 -0.176 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552202566 923862984 /nfs/dbraw/zinc/86/29/84/923862984.db2.gz KBIDSSKIASATNS-CYZMBNFOSA-N 2 0 253.346 -0.580 20 0 CBADRP CC1(C)C[NH2+][C@@H]1CNC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552202775 923863277 /nfs/dbraw/zinc/86/32/77/923863277.db2.gz ONZUACLDQRGXFW-OPQQBVKSSA-N 2 0 253.346 -0.663 20 0 CBADRP O=C(N1CCC2(C1)CC[NH2+]CC2)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552202464 923863372 /nfs/dbraw/zinc/86/33/72/923863372.db2.gz GRFJOYDHVDSDPJ-SWLSCSKDSA-N 2 0 279.384 -0.176 20 0 CBADRP O=C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552202129 923863443 /nfs/dbraw/zinc/86/34/43/923863443.db2.gz ADPUNOHZGWEJFM-CIQGVGRVSA-N 2 0 265.357 -0.425 20 0 CBADRP O=C(N1CCC[C@]2(CC[NH2+]C2)C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552202825 923863600 /nfs/dbraw/zinc/86/36/00/923863600.db2.gz QTULKJAIFQWRJU-BPLDGKMQSA-N 2 0 279.384 -0.176 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552202629 923863763 /nfs/dbraw/zinc/86/37/63/923863763.db2.gz LOXMOOZKPWMYAV-MPPDQPJWSA-N 2 0 253.346 -0.663 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C[C@@H]1C[NH3+] ZINC001552204010 923864958 /nfs/dbraw/zinc/86/49/58/923864958.db2.gz KENFEALNRMQORY-CZXHOFHRSA-N 2 0 267.373 -0.334 20 0 CBADRP O=C(N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552204637 923865195 /nfs/dbraw/zinc/86/51/95/923865195.db2.gz TYYVKBYYZCTGTJ-NMKXLXIOSA-N 2 0 265.357 -0.567 20 0 CBADRP [NH3+]Cc1ccc(CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)cc1 ZINC001552203305 923865444 /nfs/dbraw/zinc/86/54/44/923865444.db2.gz ABSHWXIOZIVPDD-HIFRSBDPSA-N 2 0 275.352 -0.003 20 0 CBADRP [NH3+]C[C@H](NC(=O)[C@@]12C[NH2+]C[C@H]1COC2)C(F)(F)F ZINC001552210707 923869628 /nfs/dbraw/zinc/86/96/28/923869628.db2.gz JQDCWAGORPCLTD-ACLDMZEESA-N 2 0 267.251 -0.772 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552218217 923871929 /nfs/dbraw/zinc/87/19/29/923871929.db2.gz MLJABGLQGOVIAW-SGMGOOAPSA-N 2 0 267.373 -0.177 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC[C@@H]1F ZINC001552218704 923872314 /nfs/dbraw/zinc/87/23/14/923872314.db2.gz WDBNYAOXEVIRAT-KLBPJQLPSA-N 2 0 257.309 -0.880 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N(C)CCC[NH3+])cnn1C ZINC001552218682 923872738 /nfs/dbraw/zinc/87/27/38/923872738.db2.gz VPANOYBRDBVBNY-STQMWFEESA-N 2 0 279.388 -0.161 20 0 CBADRP [NH3+][C@@H]1COCCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC001552260179 923874232 /nfs/dbraw/zinc/87/42/32/923874232.db2.gz BSPDXFNLARHMDS-RWMBFGLXSA-N 2 0 267.373 -0.192 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)NC[C@@H]1COCC[NH2+]1)C2 ZINC001552245225 923875196 /nfs/dbraw/zinc/87/51/96/923875196.db2.gz FBNFFCVPYTYJCT-BZPMIXESSA-N 2 0 282.388 -0.255 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)C[C@@H]1n1ccnn1 ZINC001552257724 923875419 /nfs/dbraw/zinc/87/54/19/923875419.db2.gz ZJACRPSLGFYUEF-VOAKCMCISA-N 2 0 290.371 -0.481 20 0 CBADRP C[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552272923 923876440 /nfs/dbraw/zinc/87/64/40/923876440.db2.gz GCPJRMLHCUAJDF-HNCHTBHHSA-N 2 0 290.371 -0.365 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C[NH2+]1 ZINC001552273500 923876801 /nfs/dbraw/zinc/87/68/01/923876801.db2.gz DADRUYNQSAYGIA-HNCHTBHHSA-N 2 0 253.346 -0.521 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552273541 923877274 /nfs/dbraw/zinc/87/72/74/923877274.db2.gz FTHGZPKLXSRNSX-MRBYEJRBSA-N 2 0 253.346 -0.521 20 0 CBADRP CCN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1CC[NH2+]C1 ZINC001552283502 923878893 /nfs/dbraw/zinc/87/88/93/923878893.db2.gz GFBAWNWORWSRDF-WDEREUQCSA-N 2 0 278.360 -0.364 20 0 CBADRP N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001552282740 923879701 /nfs/dbraw/zinc/87/97/01/923879701.db2.gz NQGDHEACEAOZAI-WHOHXGKFSA-N 2 0 252.362 -0.881 20 0 CBADRP O=C(c1cn([C@H]2CC[NH2+]C2)nn1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001552275334 923880782 /nfs/dbraw/zinc/88/07/82/923880782.db2.gz XPOUZWMWHFZFCY-AXFHLTTASA-N 2 0 276.344 -0.611 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552284602 923883538 /nfs/dbraw/zinc/88/35/38/923883538.db2.gz BFOMMKHAIJHMEC-UMNHJUIQSA-N 2 0 289.326 -0.417 20 0 CBADRP N[C@@H]1CN(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C[C@@H]1[NH3+] ZINC001552291925 923883561 /nfs/dbraw/zinc/88/35/61/923883561.db2.gz FAVATPUUUPHEDG-XQHKEYJVSA-N 2 0 281.404 -0.602 20 0 CBADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N1C[C@@H](N)[C@@H]([NH3+])C1 ZINC001552293438 923883720 /nfs/dbraw/zinc/88/37/20/923883720.db2.gz PVRLWLKVIQQDDV-FVCCEPFGSA-N 2 0 281.404 -0.365 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)NCC2(C[NH3+])CC2)CCCO1 ZINC001552337469 923884695 /nfs/dbraw/zinc/88/46/95/923884695.db2.gz DWBHHSFMQFJOGV-SNVBAGLBSA-N 2 0 256.350 -0.516 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@]23CC[C@H]2CC[NH2+]3)CCCO1 ZINC001552337189 923884946 /nfs/dbraw/zinc/88/49/46/923884946.db2.gz FMZAXGKCIHJWDF-SCRDCRAPSA-N 2 0 282.388 -0.112 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001552338804 923888402 /nfs/dbraw/zinc/88/84/02/923888402.db2.gz KGNPQIXESKGAIY-JHEVNIALSA-N 2 0 292.387 -0.536 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001552340882 923888795 /nfs/dbraw/zinc/88/87/95/923888795.db2.gz QXTBRKUPYIMVTC-GRYCIOLGSA-N 2 0 270.377 -0.399 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH2+]C3)CCN2C1=O ZINC001552377201 923893096 /nfs/dbraw/zinc/89/30/96/923893096.db2.gz ZBPKVWIATWNPAT-QJPTWQEYSA-N 2 0 280.372 -0.854 20 0 CBADRP Cc1c(C(=O)NC[C@H]2CCC[NH2+]C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552419303 923895428 /nfs/dbraw/zinc/89/54/28/923895428.db2.gz XFJHIZQZLPFEND-NWDGAFQWSA-N 2 0 292.387 -0.150 20 0 CBADRP O=C(c1cnnn1C1CC[NH2+]CC1)N1CCC[NH2+]CC1 ZINC001552418739 923895663 /nfs/dbraw/zinc/89/56/63/923895663.db2.gz VVVHUALGBATESN-UHFFFAOYSA-N 2 0 278.360 -0.362 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH2+]C2)C1 ZINC001552418876 923895700 /nfs/dbraw/zinc/89/57/00/923895700.db2.gz AGJMKYOXGQCQNZ-STQMWFEESA-N 2 0 296.415 -0.310 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)C1 ZINC001552419217 923895818 /nfs/dbraw/zinc/89/58/18/923895818.db2.gz LKWLBLDKTSMISV-RYUDHWBXSA-N 2 0 292.387 -0.055 20 0 CBADRP Cc1c(C(=O)N2CCC[C@H](C[NH3+])C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552418655 923896249 /nfs/dbraw/zinc/89/62/49/923896249.db2.gz JUWGNKYKCBWDSE-NEPJUHHUSA-N 2 0 292.387 -0.068 20 0 CBADRP Cc1c(C(=O)NCC[C@H](C)[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552419425 923896806 /nfs/dbraw/zinc/89/68/06/923896806.db2.gz VCSDRSDNNGFYBG-WPRPVWTQSA-N 2 0 266.349 -0.412 20 0 CBADRP Cc1c(C(=O)N2CC[NH2+]C[C@H]2C)nnn1[C@H]1CC[NH2+]C1 ZINC001552419229 923896946 /nfs/dbraw/zinc/89/69/46/923896946.db2.gz LWEVVXUMHBDMFB-KOLCDFICSA-N 2 0 278.360 -0.445 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)C1 ZINC001552418235 923897032 /nfs/dbraw/zinc/89/70/32/923897032.db2.gz JHXSVTUBIIMUCR-MNOVXSKESA-N 2 0 278.360 -0.445 20 0 CBADRP Cc1c(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552420773 923898560 /nfs/dbraw/zinc/89/85/60/923898560.db2.gz QMKCIJVPAMFTCR-DLOVCJGASA-N 2 0 292.387 -0.070 20 0 CBADRP CN1CCN(C(=O)[C@H]2CCCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC001552420687 923898608 /nfs/dbraw/zinc/89/86/08/923898608.db2.gz XXHLMOVAKNZZKR-RYUDHWBXSA-N 2 0 254.378 -0.523 20 0 CBADRP Cc1c(C(=O)N[C@H](C[NH3+])C2CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552420272 923898827 /nfs/dbraw/zinc/89/88/27/923898827.db2.gz OMZPJWTWJRXPPX-WDEREUQCSA-N 2 0 278.360 -0.412 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCCC[NH2+]C1 ZINC001552422030 923898871 /nfs/dbraw/zinc/89/88/71/923898871.db2.gz XXIXTWDONFQJDJ-OLZOCXBDSA-N 2 0 268.405 -0.262 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CCCC[NH2+]C1 ZINC001552420577 923899394 /nfs/dbraw/zinc/89/93/94/923899394.db2.gz UIDYBORVFPCSOT-ZDUSSCGKSA-N 2 0 268.405 -0.260 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CCCC[NH2+]C1 ZINC001552422028 923899564 /nfs/dbraw/zinc/89/95/64/923899564.db2.gz XXIXTWDONFQJDJ-CHWSQXEVSA-N 2 0 268.405 -0.262 20 0 CBADRP CN1CCN(C(=O)[C@@H]2CCCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC001552420683 923900056 /nfs/dbraw/zinc/90/00/56/923900056.db2.gz XXHLMOVAKNZZKR-NEPJUHHUSA-N 2 0 254.378 -0.523 20 0 CBADRP Cc1c(C(=O)NC[C@@H]([NH3+])C2CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552436890 923904078 /nfs/dbraw/zinc/90/40/78/923904078.db2.gz UKMWNXASMHCTLV-GHMZBOCLSA-N 2 0 278.360 -0.412 20 0 CBADRP Cc1c(C(=O)NCC[NH+](C)C)nnn1[C@@H]1CC[NH2+]C1 ZINC001552437057 923904559 /nfs/dbraw/zinc/90/45/59/923904559.db2.gz IEKJHEVYZOJGCT-SNVBAGLBSA-N 2 0 266.349 -0.588 20 0 CBADRP Cc1c(C(=O)NC[C@H](C)C[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552436856 923905116 /nfs/dbraw/zinc/90/51/16/923905116.db2.gz SYWLGKPQWFACDG-PSASIEDQSA-N 2 0 266.349 -0.554 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CCO1 ZINC001552436595 923905239 /nfs/dbraw/zinc/90/52/39/923905239.db2.gz RBAIISSWFFWRAK-NXEZZACHSA-N 2 0 279.344 -0.714 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCCC[NH2+]C2)n1 ZINC001552435400 923905525 /nfs/dbraw/zinc/90/55/25/923905525.db2.gz AXDFOHSJCFGTLL-VIFPVBQESA-N 2 0 279.344 -0.353 20 0 CBADRP Cc1c(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552437845 923906403 /nfs/dbraw/zinc/90/64/03/923906403.db2.gz JHUKKFQKUCEKAO-QJPTWQEYSA-N 2 0 292.387 -0.022 20 0 CBADRP Cc1c(C(=O)N[C@@H]2CCC[NH2+]CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552438192 923906418 /nfs/dbraw/zinc/90/64/18/923906418.db2.gz ZOHGSDHUHWXEIF-NEPJUHHUSA-N 2 0 292.387 -0.007 20 0 CBADRP C[NH2+][C@@H](C)CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001552437960 923906521 /nfs/dbraw/zinc/90/65/21/923906521.db2.gz SXKJVGZKJSFBOQ-VIFPVBQESA-N 2 0 266.349 -0.460 20 0 CBADRP Cc1c(C(=O)N[C@H]2CCC[NH2+]CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552438198 923906623 /nfs/dbraw/zinc/90/66/23/923906623.db2.gz ZOHGSDHUHWXEIF-RYUDHWBXSA-N 2 0 292.387 -0.007 20 0 CBADRP O=C(c1cnnn1C1CC[NH2+]CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001552437979 923906670 /nfs/dbraw/zinc/90/66/70/923906670.db2.gz UVHUIPHPNLKBMM-PHIMTYICSA-N 2 0 290.371 -0.506 20 0 CBADRP Cc1c(C(=O)N[C@H](C)[C@@H](C)[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552438377 923907816 /nfs/dbraw/zinc/90/78/16/923907816.db2.gz NNPLAAILUUTBLH-MRTMQBJTSA-N 2 0 266.349 -0.414 20 0 CBADRP CC1(C)C[NH2+][C@H]1CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001552437537 923907868 /nfs/dbraw/zinc/90/78/68/923907868.db2.gz NPSKMKVBDKGEAX-LBPRGKRZSA-N 2 0 292.387 -0.070 20 0 CBADRP Cc1c(C(=O)N[C@H](C)[C@H](C)[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552438385 923908008 /nfs/dbraw/zinc/90/80/08/923908008.db2.gz NNPLAAILUUTBLH-XKSSXDPKSA-N 2 0 266.349 -0.414 20 0 CBADRP Cc1c(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)nnn1[C@H]1CC[NH2+]C1 ZINC001552438339 923908080 /nfs/dbraw/zinc/90/80/80/923908080.db2.gz MTFOJRJKLNMPCC-DCAQKATOSA-N 2 0 296.350 -0.449 20 0 CBADRP Cc1c(C(=O)NC[C@H]2[NH2+]CC2(C)C)nnn1[C@H]1CC[NH2+]C1 ZINC001552437995 923908162 /nfs/dbraw/zinc/90/81/62/923908162.db2.gz VJZABMQARDVWTP-WDEREUQCSA-N 2 0 292.387 -0.151 20 0 CBADRP Cc1c(C(=O)N[C@H](C)C[C@@H](C)[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552442905 923910440 /nfs/dbraw/zinc/91/04/40/923910440.db2.gz VNXGJQLDKWSPCE-KKZNHRDASA-N 2 0 280.376 -0.023 20 0 CBADRP Cc1c(C(=O)N[C@@]2(C)CC[NH2+]C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552439987 923911193 /nfs/dbraw/zinc/91/11/93/923911193.db2.gz JTWPONJEVBHWES-MFKMUULPSA-N 2 0 278.360 -0.397 20 0 CBADRP [NH3+][C@@H]1CN(Cc2cnn3c2C[NH2+]CC3)CC[C@H]1F ZINC001552686289 923913249 /nfs/dbraw/zinc/91/32/49/923913249.db2.gz BBNMOGKFRMJFPL-GHMZBOCLSA-N 2 0 253.325 -0.143 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]C2)C[C@H]1n1ccnn1 ZINC001552680103 923913285 /nfs/dbraw/zinc/91/32/85/923913285.db2.gz MAJNIGYBPNZGSV-IJLUTSLNSA-N 2 0 278.360 -0.622 20 0 CBADRP C[NH2+]CCNC(=O)c1cn([C@H]2CCCC[C@@H]2[NH3+])nn1 ZINC001552685157 923913385 /nfs/dbraw/zinc/91/33/85/923913385.db2.gz WTNFLBBLBOBHDI-ONGXEEELSA-N 2 0 266.349 -0.330 20 0 CBADRP [NH3+][C@H]1CN(Cc2cnn3c2C[NH2+]CC3)CC[C@@H]1F ZINC001552686291 923914264 /nfs/dbraw/zinc/91/42/64/923914264.db2.gz BBNMOGKFRMJFPL-QWRGUYRKSA-N 2 0 253.325 -0.143 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)c1cnc(C2CC[NH2+]CC2)[nH]1 ZINC001552693917 923915477 /nfs/dbraw/zinc/91/54/77/923915477.db2.gz PWWWMWNFJIPZOJ-MRVPVSSYSA-N 2 0 251.334 -0.046 20 0 CBADRP C[C@H]([NH3+])CNC(=O)c1cnc(C2CC[NH2+]CC2)[nH]1 ZINC001552693920 923915875 /nfs/dbraw/zinc/91/58/75/923915875.db2.gz PWWWMWNFJIPZOJ-QMMMGPOBSA-N 2 0 251.334 -0.046 20 0 CBADRP [NH3+][C@@H]1COCCN(C(=O)[C@]23CCC[C@@H]2[NH2+]CC3)C1 ZINC001552763559 923916417 /nfs/dbraw/zinc/91/64/17/923916417.db2.gz LFKJRSHCOPMSRV-GVXVVHGQSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+][C@H]1COCCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC001552764133 923917201 /nfs/dbraw/zinc/91/72/01/923917201.db2.gz QXIUDKCTWUGVDQ-LLVKDONJSA-N 2 0 294.355 -0.059 20 0 CBADRP CN1CCN(C(=O)[C@]23CCC[C@@H]2[NH2+]CC3)[C@H](C[NH3+])C1 ZINC001552820728 923920261 /nfs/dbraw/zinc/92/02/61/923920261.db2.gz JFNCPVQYIKIWLJ-DYEKYZERSA-N 2 0 266.389 -0.380 20 0 CBADRP CN(CC[NH3+])C(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC001552842012 923920902 /nfs/dbraw/zinc/92/09/02/923920902.db2.gz BQXWHKYEQGUOHT-ZETCQYMHSA-N 2 0 288.302 -0.219 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001552849915 923923003 /nfs/dbraw/zinc/92/30/03/923923003.db2.gz UGFGKMIJSYRECF-NTZNESFSSA-N 2 0 253.346 -0.377 20 0 CBADRP C[C@H]1[NH2+]CC[C@@H]1NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001552848001 923923170 /nfs/dbraw/zinc/92/31/70/923923170.db2.gz JOHPGCFACIBNHU-KOLCDFICSA-N 2 0 278.360 -0.317 20 0 CBADRP O=C(c1cnnn1C1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001552848862 923923819 /nfs/dbraw/zinc/92/38/19/923923819.db2.gz HAHSIBQMUBHJJB-PHIMTYICSA-N 2 0 290.371 -0.221 20 0 CBADRP C[C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC001552850083 923924203 /nfs/dbraw/zinc/92/42/03/923924203.db2.gz XENIHIYWMLJJDG-MNOVXSKESA-N 2 0 292.387 -0.131 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H](C[NH3+])C3CC3)C2)CC1 ZINC001552955240 923926695 /nfs/dbraw/zinc/92/66/95/923926695.db2.gz RRQXLEYVDSNVRV-KGLIPLIRSA-N 2 0 295.431 -0.245 20 0 CBADRP N[C@@H]1CN(C(=O)N[C@H]2CCCCC23CC[NH2+]CC3)C[C@@H]1[NH3+] ZINC001552959912 923926808 /nfs/dbraw/zinc/92/68/08/923926808.db2.gz IAZGBWVJKLMBAG-XQQFMLRXSA-N 2 0 295.431 -0.021 20 0 CBADRP [NH3+][C@@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1n1ccnn1 ZINC001552973409 923932454 /nfs/dbraw/zinc/93/24/54/923932454.db2.gz DJYFPDSRUXFHJS-ZLMOABSSSA-N 2 0 276.388 -0.007 20 0 CBADRP [NH3+][C@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1n1ccnn1 ZINC001552973407 923932628 /nfs/dbraw/zinc/93/26/28/923932628.db2.gz DJYFPDSRUXFHJS-YEKKKDRXSA-N 2 0 276.388 -0.007 20 0 CBADRP N[C@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)C[C@@H]1[NH3+] ZINC001552973671 923932735 /nfs/dbraw/zinc/93/27/35/923932735.db2.gz UCJBDRCNRNENDQ-QWRGUYRKSA-N 2 0 252.387 -0.136 20 0 CBADRP C1C[C@H](N[C@@H]2C[NH2+]CCOC2)[C@H](C2CC[NH2+]CC2)O1 ZINC001553025232 923935584 /nfs/dbraw/zinc/93/55/84/923935584.db2.gz XIHHPTQBJWRNFJ-RDBSUJKOSA-N 2 0 269.389 -0.279 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC001553026066 923935762 /nfs/dbraw/zinc/93/57/62/923935762.db2.gz LMTMDNYEAJJBNJ-VXGBXAGGSA-N 2 0 257.378 -0.590 20 0 CBADRP C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC(C(N)=O)C1 ZINC001553014771 923936725 /nfs/dbraw/zinc/93/67/25/923936725.db2.gz URPFATJIIXQTRJ-VQXHTEKXSA-N 2 0 253.346 -0.439 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NC3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553345464 923950169 /nfs/dbraw/zinc/95/01/69/923950169.db2.gz WBCCSFLMWLPPEO-RISCZKNCSA-N 3 0 266.389 -0.604 20 0 CBADRP c1cc(N2CC[NH2+]CC2)oc1CN1CCO[C@H]2C[NH2+]C[C@H]21 ZINC001553311272 923951383 /nfs/dbraw/zinc/95/13/83/923951383.db2.gz ZXWFZDLBASRRGE-KGLIPLIRSA-N 2 0 292.383 -0.138 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@]12C[NH2+]C[C@@H]1CCOC2 ZINC001553351909 923952143 /nfs/dbraw/zinc/95/21/43/923952143.db2.gz PSVVAVSOPCQWGH-LOWVWBTDSA-N 2 0 253.346 -0.519 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NCC3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553350763 923952199 /nfs/dbraw/zinc/95/21/99/923952199.db2.gz VKTFOWBHCHHUKA-HIFRSBDPSA-N 2 0 280.416 -0.357 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@]12C[NH2+]C[C@H]1CCOC2 ZINC001553351912 923952744 /nfs/dbraw/zinc/95/27/44/923952744.db2.gz PSVVAVSOPCQWGH-NQBHXWOUSA-N 2 0 253.346 -0.519 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)c1cnc([C@@H]2CCC[NH2+]2)nc1 ZINC001553349840 923952905 /nfs/dbraw/zinc/95/29/05/923952905.db2.gz DLFRZXUOPZATOM-MNOVXSKESA-N 2 0 261.329 -0.007 20 0 CBADRP O=C(c1csc(N2CC[NH2+]CC2)n1)N1CC[NH2+]CC1 ZINC001553348031 923953017 /nfs/dbraw/zinc/95/30/17/923953017.db2.gz HUQIWRZKCPNCBG-UHFFFAOYSA-N 2 0 281.385 -0.402 20 0 CBADRP [NH3+]CC1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2COCC3)CC1 ZINC001553348987 923954778 /nfs/dbraw/zinc/95/47/78/923954778.db2.gz LZWKDTSJJMSCFU-JSGCOSHPSA-N 2 0 267.373 -0.190 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NC[C@@H]3CCC[NH2+]3)C[NH2+]C[C@@H]2C1 ZINC001553355454 923956573 /nfs/dbraw/zinc/95/65/73/923956573.db2.gz YCVRNRAZPYZOJC-DYEKYZERSA-N 3 0 266.389 -0.604 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@@H]2C1 ZINC001553352094 923957543 /nfs/dbraw/zinc/95/75/43/923957543.db2.gz GMCKILCTWJWGES-AAVRWANBSA-N 2 0 280.416 -0.277 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@]12CC[C@@H]1C[NH2+]C2 ZINC001553352781 923958214 /nfs/dbraw/zinc/95/82/14/923958214.db2.gz JDRQXAHELXVOQS-OCCSQVGLSA-N 2 0 266.389 -0.650 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)N[C@@H]3CCC[NH2+]C3)C[NH2+]C[C@@H]2C1 ZINC001553353670 923958441 /nfs/dbraw/zinc/95/84/41/923958441.db2.gz XTTGRRWSAUFMID-BZPMIXESSA-N 3 0 266.389 -0.604 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2COCC3)CC[NH2+]1 ZINC001553355257 923958604 /nfs/dbraw/zinc/95/86/04/923958604.db2.gz MXYUSDCFBIVLTR-WZRBSPASSA-N 2 0 253.346 -0.567 20 0 CBADRP [NH3+]C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CCOC2)C1CC1 ZINC001553359023 923959830 /nfs/dbraw/zinc/95/98/30/923959830.db2.gz SIJFAGDGNZWQHL-GVXVVHGQSA-N 2 0 253.346 -0.534 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@@H]1CCOC2 ZINC001553357349 923960962 /nfs/dbraw/zinc/96/09/62/923960962.db2.gz LLIOSLBICJRTGM-ZJQBRPOHSA-N 2 0 267.373 -0.144 20 0 CBADRP C[N@@H+]1CC[C@@]2(C(=O)NCC(C)(C)[NH3+])C[NH2+]C[C@@H]2C1 ZINC001553358611 923961184 /nfs/dbraw/zinc/96/11/84/923961184.db2.gz QLFYFCLODPFHAN-ZWNOBZJWSA-N 3 0 254.378 -0.619 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@]12C[NH2+]C[C@H]1CN(C)CC2 ZINC001553358460 923961673 /nfs/dbraw/zinc/96/16/73/923961673.db2.gz HVKAFPSSTNUUMM-SWLSCSKDSA-N 2 0 282.432 -0.029 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@H]([NH3+])[C@@H]3C[C@@H]32)[C@H](C[NH3+])C1 ZINC001553361225 923963776 /nfs/dbraw/zinc/96/37/76/923963776.db2.gz YTMDFTVLIYLWPR-ROHXPCBUSA-N 2 0 252.362 -0.929 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NC[C@@H]3CCCO3)C[NH2+]C[C@H]2C1 ZINC001553362677 923963789 /nfs/dbraw/zinc/96/37/89/923963789.db2.gz RPTRCSYESQNCIA-OBJOEFQTSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2[NH2+]CC23CCOCC3)CCO1 ZINC001553360895 923964690 /nfs/dbraw/zinc/96/46/90/923964690.db2.gz WGJBDTKMQMPZEA-QJPTWQEYSA-N 2 0 283.372 -0.670 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NC[C@@H]3CCCO3)C[NH2+]C[C@@H]2C1 ZINC001553362676 923966349 /nfs/dbraw/zinc/96/63/49/923966349.db2.gz RPTRCSYESQNCIA-DYEKYZERSA-N 2 0 267.373 -0.177 20 0 CBADRP Cn1nccc1CNC(=O)[C@@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553402126 923970882 /nfs/dbraw/zinc/97/08/82/923970882.db2.gz MFOSEFHTEDJSDG-FZMZJTMJSA-N 2 0 277.372 -0.422 20 0 CBADRP C[N@@H+]1CC[C@@]2(C(=O)NC3CCOCC3)C[NH2+]C[C@@H]2C1 ZINC001553397635 923970991 /nfs/dbraw/zinc/97/09/91/923970991.db2.gz POVDSVUZWNEJHH-BXUZGUMPSA-N 2 0 267.373 -0.177 20 0 CBADRP [NH3+]C1CCC(NC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553401087 923971064 /nfs/dbraw/zinc/97/10/64/923971064.db2.gz FOWDFGMVEUHQHM-UAQGADGFSA-N 2 0 253.346 -0.108 20 0 CBADRP CCNC(=O)[C@H](C)NC(=O)[C@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553397867 923971353 /nfs/dbraw/zinc/97/13/53/923971353.db2.gz OTZKRYSLKQWICO-MISXGVKJSA-N 2 0 282.388 -0.832 20 0 CBADRP CCNC(=O)[C@H](C)NC(=O)[C@@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553397868 923972193 /nfs/dbraw/zinc/97/21/93/923972193.db2.gz OTZKRYSLKQWICO-MJVIPROJSA-N 2 0 282.388 -0.832 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553402865 923973866 /nfs/dbraw/zinc/97/38/66/923973866.db2.gz QYFLFBZBRCUAFO-AGIUHOORSA-N 2 0 267.373 -0.036 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553403204 923974017 /nfs/dbraw/zinc/97/40/17/923974017.db2.gz WKLACDQDMGQAPC-SDDRHHMPSA-N 2 0 253.346 -0.378 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553402880 923974208 /nfs/dbraw/zinc/97/42/08/923974208.db2.gz RGNIJHFQUXUDCC-WHOHXGKFSA-N 2 0 253.346 -0.297 20 0 CBADRP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553403407 923974440 /nfs/dbraw/zinc/97/44/40/923974440.db2.gz YNEHRBFMURGQOX-KOLTUDBRSA-N 2 0 265.357 -0.095 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CCO1 ZINC001553402949 923975566 /nfs/dbraw/zinc/97/55/66/923975566.db2.gz UTFRREKBSASDJU-NGDQXYMTSA-N 2 0 269.345 -0.920 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001553405830 923977224 /nfs/dbraw/zinc/97/72/24/923977224.db2.gz FBDKVMNXSQPPOA-HTFCKZLJSA-N 2 0 251.330 -0.816 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553405058 923977264 /nfs/dbraw/zinc/97/72/64/923977264.db2.gz CVHLDAGZEUYYGQ-LVEVGFFFSA-N 2 0 253.346 -0.251 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C[NH2+]1 ZINC001553405428 923977459 /nfs/dbraw/zinc/97/74/59/923977459.db2.gz CCXOXOUCVZMUTI-CSYMLDBXSA-N 2 0 253.346 -0.238 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC[NH2+]1 ZINC001553404966 923977784 /nfs/dbraw/zinc/97/77/84/923977784.db2.gz CBNJIYHSTACIED-PZWNZHSQSA-N 2 0 253.346 -0.238 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C[NH2+]1 ZINC001553405435 923978191 /nfs/dbraw/zinc/97/81/91/923978191.db2.gz CCXOXOUCVZMUTI-LVEVGFFFSA-N 2 0 253.346 -0.238 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C[NH2+]1 ZINC001553405432 923978206 /nfs/dbraw/zinc/97/82/06/923978206.db2.gz CCXOXOUCVZMUTI-DGORSVRFSA-N 2 0 253.346 -0.238 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001553408974 923983229 /nfs/dbraw/zinc/98/32/29/923983229.db2.gz KJOIHMSVUBBBSN-FHUSYTEZSA-N 2 0 265.357 -0.141 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553409739 923983304 /nfs/dbraw/zinc/98/33/04/923983304.db2.gz KDYGCQNINNDUFF-RDBSUJKOSA-N 2 0 297.399 -0.267 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CCO1 ZINC001553408989 923983359 /nfs/dbraw/zinc/98/33/59/923983359.db2.gz KLQWPIMCEBBGNJ-FVCCEPFGSA-N 2 0 283.372 -0.705 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553409729 923984187 /nfs/dbraw/zinc/98/41/87/923984187.db2.gz KDYGCQNINNDUFF-HZSPNIEDSA-N 2 0 297.399 -0.267 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1)N1CC[NH+](C)CC1 ZINC001553410610 923984638 /nfs/dbraw/zinc/98/46/38/923984638.db2.gz OTQVGEKVOSCYSB-YIYPIFLZSA-N 2 0 296.415 -0.742 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553412777 923986906 /nfs/dbraw/zinc/98/69/06/923986906.db2.gz OPHFLRHBZOOPJY-FOUMNBMASA-N 2 0 265.357 -0.141 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553412293 923987612 /nfs/dbraw/zinc/98/76/12/923987612.db2.gz UHCLLSFUHWHWIK-LVEVGFFFSA-N 2 0 253.346 -0.380 20 0 CBADRP O=C(Nc1ccn([C@@H]2CC[NH2+]C2)n1)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553414983 923990382 /nfs/dbraw/zinc/99/03/82/923990382.db2.gz XUXRIGNRXMETIC-NOOOWODRSA-N 2 0 291.355 -0.125 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553425336 923992272 /nfs/dbraw/zinc/99/22/72/923992272.db2.gz RXBGMIXVTVHVKS-SVNGYHJRSA-N 2 0 253.346 -0.238 20 0 CBADRP CN(C(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1)[C@H]1CC[N@H+](C)C1 ZINC001553422885 923994065 /nfs/dbraw/zinc/99/40/65/923994065.db2.gz MWMJSALUQRCJPB-FIQHERPVSA-N 2 0 253.346 -0.332 20 0 CBADRP [NH3+]C1CC(CCNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553427648 923995704 /nfs/dbraw/zinc/99/57/04/923995704.db2.gz JBIVYKUHWKHWKI-UFJRKFNTSA-N 2 0 253.346 -0.251 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C[C@@H]1F)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553427689 923995756 /nfs/dbraw/zinc/99/57/56/923995756.db2.gz JGCCRAIIMABSFE-OSUNSFLBSA-N 2 0 271.336 -0.288 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C[C@@H]1F)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553427680 923996012 /nfs/dbraw/zinc/99/60/12/923996012.db2.gz JGCCRAIIMABSFE-KNZXXDILSA-N 2 0 271.336 -0.288 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C[C@H]1CC[NH3+] ZINC001553429325 923996087 /nfs/dbraw/zinc/99/60/87/923996087.db2.gz KRSYSFZGEASGGW-BNDIWNMDSA-N 2 0 267.373 -0.051 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C[C@@H]1CC[NH3+] ZINC001553429326 923996234 /nfs/dbraw/zinc/99/62/34/923996234.db2.gz KRSYSFZGEASGGW-FHUSYTEZSA-N 2 0 267.373 -0.051 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C[C@@H]1F)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553427686 923996895 /nfs/dbraw/zinc/99/68/95/923996895.db2.gz JGCCRAIIMABSFE-MTVMDMGHSA-N 2 0 271.336 -0.288 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C[C@@H]1C(F)(F)F ZINC001553431068 923999805 /nfs/dbraw/zinc/99/98/05/923999805.db2.gz OMXNFYUAUQUXNB-SVSWQMSJSA-N 2 0 293.289 -0.146 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1C[C@H]([NH3+])C2(CCC2)C1 ZINC001553446973 924001849 /nfs/dbraw/zinc/00/18/49/924001849.db2.gz FLRBIGJGAJJKGS-STQMWFEESA-N 2 0 295.431 -0.245 20 0 CBADRP [NH3+][C@]12CC[C@@H]1CN(C(=O)NC[C@H]1C[N@@H+]3CCC[C@H]3CO1)C2 ZINC001553447680 924003164 /nfs/dbraw/zinc/00/31/64/924003164.db2.gz VRDQQFLBLQTPCH-OSFYFWSMSA-N 2 0 294.399 -0.018 20 0 CBADRP [NH3+][C@H]1CN(C(=O)NCCN2CC[NH2+]CC2)CC12CCC2 ZINC001553489142 924007292 /nfs/dbraw/zinc/00/72/92/924007292.db2.gz CSQAZNQJXKCAGC-LBPRGKRZSA-N 2 0 281.404 -0.586 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001553492762 924009037 /nfs/dbraw/zinc/00/90/37/924009037.db2.gz RGTFBVYYJLVELK-OAHLLOKOSA-N 2 0 295.431 -0.181 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1 ZINC001553489840 924010089 /nfs/dbraw/zinc/01/00/89/924010089.db2.gz YASHAIXILDRKSA-UTUOFQBUSA-N 2 0 294.403 -0.194 20 0 CBADRP [NH3+]CCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001553495037 924010356 /nfs/dbraw/zinc/01/03/56/924010356.db2.gz WINKYHWAHHWKOT-BETUJISGSA-N 3 0 281.404 -0.445 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553494296 924010877 /nfs/dbraw/zinc/01/08/77/924010877.db2.gz DXEOZTGXVKTVJD-JHJVBQTASA-N 2 0 284.404 -0.178 20 0 CBADRP [NH3+]C[C@H](NC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2)C1CC1 ZINC001553495389 924011087 /nfs/dbraw/zinc/01/10/87/924011087.db2.gz FNSZORHFVDDSDF-NWDGAFQWSA-N 2 0 282.388 -0.127 20 0 CBADRP [NH3+][C@H](CNC(=O)N[C@H]1C[NH2+]CC12CCOCC2)C1CC1 ZINC001553499057 924012125 /nfs/dbraw/zinc/01/21/25/924012125.db2.gz XNURAGKUACUGJI-NEPJUHHUSA-N 2 0 282.388 -0.209 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553497865 924012507 /nfs/dbraw/zinc/01/25/07/924012507.db2.gz QZPHSBXNEOKHJE-MNOVXSKESA-N 2 0 270.377 -0.351 20 0 CBADRP [NH3+][C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)C1CC1 ZINC001553497444 924013294 /nfs/dbraw/zinc/01/32/94/924013294.db2.gz PUUQNUWJTDJNMK-RDBSUJKOSA-N 2 0 296.415 -0.036 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001553501159 924013349 /nfs/dbraw/zinc/01/33/49/924013349.db2.gz GEEXXHDFQVCJCR-AVGNSLFASA-N 2 0 282.388 -0.384 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553502793 924015459 /nfs/dbraw/zinc/01/54/59/924015459.db2.gz NHSSFZNHTWTBNU-GHMZBOCLSA-N 2 0 270.377 -0.256 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001553505172 924016636 /nfs/dbraw/zinc/01/66/36/924016636.db2.gz SAKCLNFQXHTTFO-GXTWGEPZSA-N 2 0 282.388 -0.098 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553504045 924016861 /nfs/dbraw/zinc/01/68/61/924016861.db2.gz QMAJHLAIPVYMGC-WDEREUQCSA-N 2 0 270.377 -0.209 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553506441 924017620 /nfs/dbraw/zinc/01/76/20/924017620.db2.gz VSQDUZQZMDFYMF-ZJUUUORDSA-N 2 0 256.350 -0.517 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001553503194 924017633 /nfs/dbraw/zinc/01/76/33/924017633.db2.gz MEQCGLGPLAZYJI-BNOWGMLFSA-N 3 0 295.431 -0.056 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)NC[C@@H]3CCC[NH2+]3)C[C@H]2[NH3+])c1 ZINC001553512278 924019158 /nfs/dbraw/zinc/01/91/58/924019158.db2.gz XXWANOIXVVKOBE-QJPTWQEYSA-N 2 0 292.387 -0.392 20 0 CBADRP [NH3+]C1CC(CNC(=O)N[C@@H]2C[NH2+]CC23CCOCC3)C1 ZINC001553512691 924019547 /nfs/dbraw/zinc/01/95/47/924019547.db2.gz IHLOGXPULQRJNE-HTAVTVPLSA-N 2 0 282.388 -0.209 20 0 CBADRP [NH3+]C1(CNC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)CCOCC1 ZINC001553518515 924021842 /nfs/dbraw/zinc/02/18/42/924021842.db2.gz WVJKXFYQTZTYCF-RISCZKNCSA-N 2 0 282.388 -0.064 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC001553518066 924022840 /nfs/dbraw/zinc/02/28/40/924022840.db2.gz UTNQHSKEKGZRPF-YNEHKIRRSA-N 2 0 282.388 -0.242 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553519441 924023565 /nfs/dbraw/zinc/02/35/65/924023565.db2.gz QWLJHIGPTLIDAP-QJPTWQEYSA-N 2 0 282.388 -0.195 20 0 CBADRP [NH3+]C1(CNC(=O)N[C@@]23CCC[C@H]2C[NH2+]C3)CCOCC1 ZINC001553518517 924023582 /nfs/dbraw/zinc/02/35/82/924023582.db2.gz WVJKXFYQTZTYCF-SMDDNHRTSA-N 2 0 282.388 -0.064 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553519428 924023689 /nfs/dbraw/zinc/02/36/89/924023689.db2.gz QTKKQEHRKXAKQQ-TUAOUCFPSA-N 2 0 282.388 -0.114 20 0 CBADRP [NH3+]C1(CNC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)CCOCC1 ZINC001553518514 924023959 /nfs/dbraw/zinc/02/39/59/924023959.db2.gz WVJKXFYQTZTYCF-FZMZJTMJSA-N 2 0 282.388 -0.064 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553527898 924025094 /nfs/dbraw/zinc/02/50/94/924025094.db2.gz KNBDHHODHMHZAY-JHJVBQTASA-N 2 0 296.415 -0.090 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001553528233 924025753 /nfs/dbraw/zinc/02/57/53/924025753.db2.gz NDOWCTLOIFVIKS-UONOGXRCSA-N 2 0 295.431 -0.055 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001553529976 924026879 /nfs/dbraw/zinc/02/68/79/924026879.db2.gz PUYINKORLRFVFI-BXUZGUMPSA-N 2 0 281.404 -0.458 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@H]1F)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553543067 924027723 /nfs/dbraw/zinc/02/77/23/924027723.db2.gz KKRISOVXCSKNOE-GMTAPVOTSA-N 2 0 286.351 -0.636 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC001553545391 924028905 /nfs/dbraw/zinc/02/89/05/924028905.db2.gz SGZWYCHGUZHNQY-KLBPJQLPSA-N 2 0 256.325 -0.262 20 0 CBADRP [NH3+]C1CC(NC(=O)N2C[C@@H]([NH3+])C3(C2)CCOCC3)C1 ZINC001553557582 924030681 /nfs/dbraw/zinc/03/06/81/924030681.db2.gz QYYKRUSELLQKMH-VQXHTEKXSA-N 2 0 268.361 -0.375 20 0 CBADRP [NH3+]C1CC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC001553559083 924031772 /nfs/dbraw/zinc/03/17/72/924031772.db2.gz UZXUOKBMCMZDSG-TUUUFIMRSA-N 2 0 282.388 -0.283 20 0 CBADRP [NH3+]C1CC(NC(=O)N2C[C@H]([NH3+])C3(C2)CCOCC3)C1 ZINC001553557576 924032617 /nfs/dbraw/zinc/03/26/17/924032617.db2.gz QYYKRUSELLQKMH-ILDUYXDCSA-N 2 0 268.361 -0.375 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNc2nccnc2C[NH3+])C1 ZINC001559090175 924212180 /nfs/dbraw/zinc/21/21/80/924212180.db2.gz OFDMIYUUDIVSJZ-NSHDSACASA-N 2 0 292.387 -0.065 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420023936 282089517 /nfs/dbraw/zinc/08/95/17/282089517.db2.gz XWTYNGCUTASTHN-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@]1(O)CC[N@H+](CCOCC[NH+]2CC[C@](C)(O)C2)C1 ZINC000178732817 230184005 /nfs/dbraw/zinc/18/40/05/230184005.db2.gz IGJZRMHGFXKEHZ-OKILXGFUSA-N 2 0 272.389 -0.084 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000337834395 214280153 /nfs/dbraw/zinc/28/01/53/214280153.db2.gz CMFKEVADWXVMSL-MNOVXSKESA-N 2 0 268.361 -0.806 20 0 CBADRP C[NH2+]CCC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000262315512 290641412 /nfs/dbraw/zinc/64/14/12/290641412.db2.gz DKHAOCRIKXLCIV-UHFFFAOYSA-N 2 0 256.394 -0.262 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000493968596 230340167 /nfs/dbraw/zinc/34/01/67/230340167.db2.gz LDYFHAUBCMIZPC-UTUOFQBUSA-N 2 0 256.394 -0.278 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000165607959 282171773 /nfs/dbraw/zinc/17/17/73/282171773.db2.gz MKSDRAKMPOJQMT-RYUDHWBXSA-N 2 0 255.362 -0.179 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000423270317 290656824 /nfs/dbraw/zinc/65/68/24/290656824.db2.gz HSIXAKZFWSCGIZ-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000126162813 187221612 /nfs/dbraw/zinc/22/16/12/187221612.db2.gz YITYPYFFPPPUMQ-FZMZJTMJSA-N 2 0 296.415 -0.314 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC000126267498 187228506 /nfs/dbraw/zinc/22/85/06/187228506.db2.gz HATWUEDUYDBQPU-ZDUSSCGKSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000419124225 290664485 /nfs/dbraw/zinc/66/44/85/290664485.db2.gz QTQCUNXJTHLFSE-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP C[NH+](C)[C@@]1(CNC(=O)C[C@H]2COCC[NH2+]2)CCSC1 ZINC000262022631 282229576 /nfs/dbraw/zinc/22/95/76/282229576.db2.gz ANMJOSUUIVJUCV-WCQYABFASA-N 2 0 287.429 -0.082 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000333556592 295691683 /nfs/dbraw/zinc/69/16/83/295691683.db2.gz KWKWJHDBDWSELC-OUCADQQQSA-N 2 0 267.373 -0.129 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NCC1([NH3+])CCCCC1 ZINC000418299326 290061105 /nfs/dbraw/zinc/06/11/05/290061105.db2.gz SBMSXFFSUBNVIA-GFCCVEGCSA-N 2 0 283.420 -0.149 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000449698976 290061327 /nfs/dbraw/zinc/06/13/27/290061327.db2.gz PDMUVIHFSZDAEK-YRGRVCCFSA-N 2 0 268.405 -0.086 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCC(=O)N3CCOCC3)C[C@@H]12 ZINC000351488849 219104316 /nfs/dbraw/zinc/10/43/16/219104316.db2.gz GJYGDDVSUBDSJN-JHJVBQTASA-N 2 0 267.373 -0.096 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000351515674 219110402 /nfs/dbraw/zinc/11/04/02/219110402.db2.gz DCZACLWHIQSAAY-CMPLNLGQSA-N 2 0 280.372 -0.793 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000351516541 219111962 /nfs/dbraw/zinc/11/19/62/219111962.db2.gz GHDQHTHIOBVDHA-VXGBXAGGSA-N 2 0 280.372 -0.839 20 0 CBADRP CCC[NH+]1CCC(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351524863 219114090 /nfs/dbraw/zinc/11/40/90/219114090.db2.gz SHZGGRXRWREKGY-ZDUSSCGKSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351523151 219114485 /nfs/dbraw/zinc/11/44/85/219114485.db2.gz NKOPNZAOZBTBQB-JHJVBQTASA-N 2 0 296.415 -0.156 20 0 CBADRP [NH3+]C[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000351530591 219116829 /nfs/dbraw/zinc/11/68/29/219116829.db2.gz BKNJPVPODXJCGA-OLZOCXBDSA-N 2 0 296.415 -0.122 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351533808 219118378 /nfs/dbraw/zinc/11/83/78/219118378.db2.gz IZLNIPIQYBTBHM-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000376923888 529902269 /nfs/dbraw/zinc/90/22/69/529902269.db2.gz UUNBIXFFSBIGAF-AWEZNQCLSA-N 2 0 280.416 -0.071 20 0 CBADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351538750 219118824 /nfs/dbraw/zinc/11/88/24/219118824.db2.gz SDRHANYVORRYAE-FZMZJTMJSA-N 2 0 284.404 -0.266 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000351541894 219120895 /nfs/dbraw/zinc/12/08/95/219120895.db2.gz QKLNJFWREIXDCU-CHWSQXEVSA-N 2 0 294.399 -0.449 20 0 CBADRP CC(C)C[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351541814 219121002 /nfs/dbraw/zinc/12/10/02/219121002.db2.gz QEMWHOGVDQEAMB-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[NH+]1CCC(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351552444 219124236 /nfs/dbraw/zinc/12/42/36/219124236.db2.gz AOKAJTJHJPDHDH-LBPRGKRZSA-N 2 0 282.388 -0.545 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000351556173 219124967 /nfs/dbraw/zinc/12/49/67/219124967.db2.gz DPWKUVBBONUNJW-WCQYABFASA-N 2 0 294.399 -0.545 20 0 CBADRP CC[N@@H+]1CCC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351557937 219125837 /nfs/dbraw/zinc/12/58/37/219125837.db2.gz QMDKPSTVTPVRNU-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351559092 219125871 /nfs/dbraw/zinc/12/58/71/219125871.db2.gz UAJYXUZWILRFDX-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](C2CCC2)CC1 ZINC000351561149 219127066 /nfs/dbraw/zinc/12/70/66/219127066.db2.gz XXSCQHMNOHYIOO-ZDUSSCGKSA-N 2 0 294.399 -0.449 20 0 CBADRP C[NH+](C)CCCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351568891 219130811 /nfs/dbraw/zinc/13/08/11/219130811.db2.gz MQDRQMBXWGQGCB-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP C[NH+](C)CC1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351579230 219133559 /nfs/dbraw/zinc/13/35/59/219133559.db2.gz WKFDDIFRNLEEAI-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000573626228 334953395 /nfs/dbraw/zinc/95/33/95/334953395.db2.gz TVGDKMPXYFTYHI-NSHDSACASA-N 2 0 282.388 -0.593 20 0 CBADRP C[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)CC1 ZINC000378451992 530047523 /nfs/dbraw/zinc/04/75/23/530047523.db2.gz SQPUCMBPMWUREG-AWEZNQCLSA-N 2 0 278.400 -0.246 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000423299922 290812380 /nfs/dbraw/zinc/81/23/80/290812380.db2.gz CSCQTUSXNRETSC-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000351839693 219222301 /nfs/dbraw/zinc/22/23/01/219222301.db2.gz LOUAYYRQDPOZSN-AVGNSLFASA-N 2 0 296.415 -0.408 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000128848159 187393918 /nfs/dbraw/zinc/39/39/18/187393918.db2.gz GHEHAIPKOLINIA-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[C@@]1(C(=O)NCCN2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000128883556 187395569 /nfs/dbraw/zinc/39/55/69/187395569.db2.gz FDYQYHMYVRLITO-AWEZNQCLSA-N 2 0 268.405 -0.118 20 0 CBADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000351993838 219278821 /nfs/dbraw/zinc/27/88/21/219278821.db2.gz LANMXYCUWRVEIC-OCCSQVGLSA-N 2 0 286.420 -0.034 20 0 CBADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000352023963 219292978 /nfs/dbraw/zinc/29/29/78/219292978.db2.gz BVTIZAPZEFGLHS-MGPQQGTHSA-N 2 0 280.416 -0.073 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000091309724 180132250 /nfs/dbraw/zinc/13/22/50/180132250.db2.gz WTHGIGZSDREKFV-LBPRGKRZSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000091311273 180133031 /nfs/dbraw/zinc/13/30/31/180133031.db2.gz BQVCSKYAONEGMD-CMPLNLGQSA-N 2 0 253.346 -0.282 20 0 CBADRP COCC[N@H+](C)CCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091291158 180122617 /nfs/dbraw/zinc/12/26/17/180122617.db2.gz WRGSZKANFNSVMX-LLVKDONJSA-N 2 0 275.418 -0.224 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091291477 180122653 /nfs/dbraw/zinc/12/26/53/180122653.db2.gz WSLCLIAHWUGMMX-VXGBXAGGSA-N 2 0 286.445 -0.557 20 0 CBADRP CC[NH+](CC)CCS(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000352192643 219352936 /nfs/dbraw/zinc/35/29/36/219352936.db2.gz WTQORGRZVXJESL-GFCCVEGCSA-N 2 0 293.433 -0.686 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000106921847 186151600 /nfs/dbraw/zinc/15/16/00/186151600.db2.gz OJRQXBYDKUMGPX-QWHCGFSZSA-N 2 0 268.405 -0.167 20 0 CBADRP [NH3+]CC(=O)NCC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000034420436 351384725 /nfs/dbraw/zinc/38/47/25/351384725.db2.gz LLKGOWSKTAGZHP-UHFFFAOYSA-N 2 0 290.367 -0.764 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[NH2+]CC2)CC1 ZINC000037631844 351401554 /nfs/dbraw/zinc/40/15/54/351401554.db2.gz XMGRAXPYFFIJMB-UHFFFAOYSA-N 2 0 268.405 -0.119 20 0 CBADRP CCCC[C@H]([NH3+])C(=O)NCCN1CC[NH+](C)CC1 ZINC000037760084 351402305 /nfs/dbraw/zinc/40/23/05/351402305.db2.gz GOMDSMLWLMCXBD-LBPRGKRZSA-N 2 0 256.394 -0.133 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000019685434 351350463 /nfs/dbraw/zinc/35/04/63/351350463.db2.gz LKYOFBPGJZBTKX-UHFFFAOYSA-N 2 0 254.378 -0.554 20 0 CBADRP CC[C@]1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC[NH2+]C1 ZINC000119223495 186811770 /nfs/dbraw/zinc/81/17/70/186811770.db2.gz LEYXJXUNXXQBQJ-WFASDCNBSA-N 2 0 296.415 -0.310 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043708249 351442795 /nfs/dbraw/zinc/44/27/95/351442795.db2.gz FMNWYLJDLHLOEU-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000037820621 351409314 /nfs/dbraw/zinc/40/93/14/351409314.db2.gz UDOGIRHKQGRKGY-NSHDSACASA-N 2 0 255.362 -0.096 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)C[NH2+]C2CC2)CC1 ZINC000040808857 351418809 /nfs/dbraw/zinc/41/88/09/351418809.db2.gz BFWNPPOTLOCCAM-UHFFFAOYSA-N 2 0 254.378 -0.508 20 0 CBADRP C[NH+](C)C[C@H](NC(=O)CNC(=O)C[NH3+])c1ccccc1 ZINC000040809269 351419283 /nfs/dbraw/zinc/41/92/83/351419283.db2.gz PJCLIOSBWLKCFA-LBPRGKRZSA-N 2 0 278.356 -0.520 20 0 CBADRP CC(C)[C@@H](CNC(=O)[C@@H](C)C[NH3+])[NH+]1CCN(C)CC1 ZINC000054343508 351534487 /nfs/dbraw/zinc/53/44/87/351534487.db2.gz BHKSPPHDOARNDU-QWHCGFSZSA-N 2 0 270.421 -0.031 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000052062674 351517293 /nfs/dbraw/zinc/51/72/93/351517293.db2.gz SPMFQVKWZXVNND-UHFFFAOYSA-N 2 0 268.361 -0.852 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)C[NH+]1CCCC1 ZINC000062076474 351573445 /nfs/dbraw/zinc/57/34/45/351573445.db2.gz QHQUOAUCUVXRAR-WOPDTQHZSA-N 2 0 255.362 -0.443 20 0 CBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062973137 351577763 /nfs/dbraw/zinc/57/77/63/351577763.db2.gz UCCNVFLBIYTURG-GRYCIOLGSA-N 2 0 253.346 -0.594 20 0 CBADRP CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179673 351580398 /nfs/dbraw/zinc/58/03/98/351580398.db2.gz ROSNREBWCVAXRS-GFCCVEGCSA-N 2 0 284.404 -0.358 20 0 CBADRP CN(C)C(=O)CC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063180215 351580632 /nfs/dbraw/zinc/58/06/32/351580632.db2.gz QXBFQPRYGIUJII-LLVKDONJSA-N 2 0 270.377 -0.748 20 0 CBADRP [NH3+]CCC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000070188274 351635762 /nfs/dbraw/zinc/63/57/62/351635762.db2.gz SGZXVULEKBDQDN-UHFFFAOYSA-N 2 0 254.334 -0.401 20 0 CBADRP C[NH2+]CCC1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000070189963 351636495 /nfs/dbraw/zinc/63/64/95/351636495.db2.gz JORFFXOMGFNLOQ-UHFFFAOYSA-N 2 0 294.399 -0.095 20 0 CBADRP [NH3+]CCC1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000070188288 351637061 /nfs/dbraw/zinc/63/70/61/351637061.db2.gz KJISFXKPWMQMIQ-UHFFFAOYSA-N 2 0 255.362 -0.094 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000073643580 351655732 /nfs/dbraw/zinc/65/57/32/351655732.db2.gz NLAKXSPSJZXOCM-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000074164428 351659357 /nfs/dbraw/zinc/65/93/57/351659357.db2.gz DOYRYAHMHHWWCN-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000068807720 351621683 /nfs/dbraw/zinc/62/16/83/351621683.db2.gz ZISLPHYSBAHTAN-NEPJUHHUSA-N 2 0 256.394 -0.134 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000068805018 351622250 /nfs/dbraw/zinc/62/22/50/351622250.db2.gz YSGBRRRCNODYAZ-KGLIPLIRSA-N 2 0 270.421 -0.722 20 0 CBADRP C[N@H+](CCNC(=O)NCC1(O)CC[NH+](C)CC1)C1CC1 ZINC000077827355 351683662 /nfs/dbraw/zinc/68/36/62/351683662.db2.gz CUZHKUGPWZNKDT-UHFFFAOYSA-N 2 0 284.404 -0.164 20 0 CBADRP CC(C)[C@@H](C[NH3+])C(=O)NCCN1CC[NH+](C)CC1 ZINC000087523020 351722647 /nfs/dbraw/zinc/72/26/47/351722647.db2.gz BSXRHAKBXCKZSQ-GFCCVEGCSA-N 2 0 256.394 -0.419 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000092629666 351752198 /nfs/dbraw/zinc/75/21/98/351752198.db2.gz DOTKTGZSQNLFOX-RYUDHWBXSA-N 2 0 255.362 -0.083 20 0 CBADRP CN(CCC(=O)N1CC[NH2+]CC1)C[C@H]1CCC[N@@H+]1C ZINC000092629175 351750643 /nfs/dbraw/zinc/75/06/43/351750643.db2.gz UZUFTLGYTCITMO-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)NC(=O)NC1CCCC1 ZINC000107855310 351796098 /nfs/dbraw/zinc/79/60/98/351796098.db2.gz KNHUFLIEFWVIGG-PHIMTYICSA-N 2 0 280.372 -0.094 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000125629710 351857673 /nfs/dbraw/zinc/85/76/73/351857673.db2.gz NCVBWHATDCTUHS-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000126328858 351861077 /nfs/dbraw/zinc/86/10/77/351861077.db2.gz CDGMZXLDENFUMZ-JSGCOSHPSA-N 2 0 296.415 -0.217 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000130385538 351879234 /nfs/dbraw/zinc/87/92/34/351879234.db2.gz VEPKKMYMGIBIIV-ZDUSSCGKSA-N 2 0 285.388 -0.454 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000130516405 351880581 /nfs/dbraw/zinc/88/05/81/351880581.db2.gz HSFCPWGVYLBHAK-FRRDWIJNSA-N 2 0 283.372 -0.656 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000129011558 351867842 /nfs/dbraw/zinc/86/78/42/351867842.db2.gz MFVXOXYAGAOFKL-VXGBXAGGSA-N 2 0 253.346 -0.329 20 0 CBADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCN1C(=O)CNC1=O ZINC000123724345 187106200 /nfs/dbraw/zinc/10/62/00/187106200.db2.gz GWHIFLFPGKKYRR-JTQLQIEISA-N 2 0 256.350 -0.157 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCOCC1 ZINC000129794483 351874893 /nfs/dbraw/zinc/87/48/93/351874893.db2.gz QWHACFFLMJSWNO-UHFFFAOYSA-N 2 0 298.431 -0.586 20 0 CBADRP CC[C@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[NH+](C)C ZINC000130103322 351876490 /nfs/dbraw/zinc/87/64/90/351876490.db2.gz IDLSWEVABXHKKT-GFCCVEGCSA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000136209728 351920120 /nfs/dbraw/zinc/92/01/20/351920120.db2.gz PAXKJNFLRHBIQQ-AWEZNQCLSA-N 2 0 268.405 -0.118 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)C2([NH3+])CCC2)CC1 ZINC000148089535 351929126 /nfs/dbraw/zinc/92/91/26/351929126.db2.gz BDMZBKDTYBDCBR-UHFFFAOYSA-N 2 0 254.378 -0.379 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000151791582 351937006 /nfs/dbraw/zinc/93/70/06/351937006.db2.gz MPFPHZSFBGUINY-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)NCC[C@H]1CCC[NH2+]C1 ZINC000152755414 351940128 /nfs/dbraw/zinc/94/01/28/351940128.db2.gz VJOIJVLVHIQBEQ-VXGBXAGGSA-N 2 0 255.362 -0.129 20 0 CBADRP CC[NH2+]CC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000131580243 351887554 /nfs/dbraw/zinc/88/75/54/351887554.db2.gz LCRCGXRDHTVSMU-UHFFFAOYSA-N 2 0 268.361 -0.140 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1C[NH2+]CCO1 ZINC000132906693 351896522 /nfs/dbraw/zinc/89/65/22/351896522.db2.gz YETBHOUKOSETNZ-WOPDTQHZSA-N 2 0 253.346 -0.282 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000133403800 351898717 /nfs/dbraw/zinc/89/87/17/351898717.db2.gz LSFXRJVXWRCPPJ-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[C@@]1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCC[NH2+]1 ZINC000134367055 351905246 /nfs/dbraw/zinc/90/52/46/351905246.db2.gz DCMKKUKOBKRCIK-WFASDCNBSA-N 2 0 296.415 -0.168 20 0 CBADRP COCC[NH+]1CCC(NC(=O)C[NH2+]C2CC2)CC1 ZINC000154635439 351946930 /nfs/dbraw/zinc/94/69/30/351946930.db2.gz GTYZLLTWWIYXHL-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)C[NH+](C)C)CC1 ZINC000171185088 352008622 /nfs/dbraw/zinc/00/86/22/352008622.db2.gz FHWPFIHUMKUQCO-UHFFFAOYSA-N 2 0 256.394 -0.308 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2)CC[N@@H+]1C ZINC000157866072 351957791 /nfs/dbraw/zinc/95/77/91/351957791.db2.gz MJNZLYDSRLQMPA-RYUDHWBXSA-N 2 0 254.378 -0.510 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)NCCN2CCOCC2)C1 ZINC000162697097 351978346 /nfs/dbraw/zinc/97/83/46/351978346.db2.gz WPJZYOBLPNQWQA-CYBMUJFWSA-N 2 0 284.404 -0.088 20 0 CBADRP CN1CCN(C(=O)CC2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000162476217 351978368 /nfs/dbraw/zinc/97/83/68/351978368.db2.gz FZYNVDDLFGSDFV-LBPRGKRZSA-N 3 0 254.378 -0.523 20 0 CBADRP CN1CCN(C(=O)c2ccc(NC(=O)C[NH3+])cc2)CC1 ZINC000165841229 351986616 /nfs/dbraw/zinc/98/66/16/351986616.db2.gz QAERTTBSOIEBHJ-UHFFFAOYSA-N 2 0 276.340 -0.029 20 0 CBADRP CN(C)CC[NH+]1CCC(CNC(=O)CC[NH3+])CC1 ZINC000165971955 351986798 /nfs/dbraw/zinc/98/67/98/351986798.db2.gz WJRHIKIAIWPAAZ-UHFFFAOYSA-N 2 0 256.394 -0.275 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)CNC(=O)C[NH3+])CC[C@@H]21 ZINC000167512231 351989626 /nfs/dbraw/zinc/98/96/26/351989626.db2.gz VKFILYGJCIHBHI-MNOVXSKESA-N 2 0 268.361 -0.996 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000167264502 351989732 /nfs/dbraw/zinc/98/97/32/351989732.db2.gz YJUMNHLTQHBMIN-NEPJUHHUSA-N 2 0 271.361 -0.798 20 0 CBADRP CN1CCO[C@H](C(=O)N2CCN(CC(C)(C)O)CC2)C1 ZINC000174672509 352049397 /nfs/dbraw/zinc/04/93/97/352049397.db2.gz CQMFAZCBHUUVRX-LBPRGKRZSA-N 2 0 285.388 -0.768 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000186786038 352131760 /nfs/dbraw/zinc/13/17/60/352131760.db2.gz WLZCDHRLWZABJE-UPJWGTAASA-N 2 0 296.415 -0.489 20 0 CBADRP O=C([C@@H]1CCC[NH2+]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178844821 352083590 /nfs/dbraw/zinc/08/35/90/352083590.db2.gz LAGJEMDAMJXRRF-OLZOCXBDSA-N 2 0 267.373 -0.081 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178844853 352084016 /nfs/dbraw/zinc/08/40/16/352084016.db2.gz WGAQBIYLQWGQKP-QWHCGFSZSA-N 2 0 283.372 -0.845 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178844835 352084020 /nfs/dbraw/zinc/08/40/20/352084020.db2.gz WGAQBIYLQWGQKP-STQMWFEESA-N 2 0 283.372 -0.845 20 0 CBADRP COCC[NH2+]CC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000178867455 352084484 /nfs/dbraw/zinc/08/44/84/352084484.db2.gz MSWFDDKMJSKANP-QWRGUYRKSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000178881920 352084551 /nfs/dbraw/zinc/08/45/51/352084551.db2.gz WBLGPDHXLQNJKJ-STQMWFEESA-N 2 0 268.405 -0.119 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000178872204 352084573 /nfs/dbraw/zinc/08/45/73/352084573.db2.gz QUFGQCHJEMDUEH-ZDUSSCGKSA-N 2 0 272.368 -0.558 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000178874233 352084689 /nfs/dbraw/zinc/08/46/89/352084689.db2.gz VKHRGDNVFAUQBB-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP C[C@@H]([NH3+])C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000178879616 352084714 /nfs/dbraw/zinc/08/47/14/352084714.db2.gz MHOUNJKMYDBNPP-LLVKDONJSA-N 2 0 277.372 -0.203 20 0 CBADRP O=C1C[C@H]([NH2+]CC2CC2)CN1CCN1CCOCC1 ZINC000178907083 352085985 /nfs/dbraw/zinc/08/59/85/352085985.db2.gz KCUMECHBEKKZIR-ZDUSSCGKSA-N 2 0 267.373 -0.081 20 0 CBADRP CS(=O)(=O)N1CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC000178956879 352086721 /nfs/dbraw/zinc/08/67/21/352086721.db2.gz WOWSDVQXYWGDHB-UHFFFAOYSA-N 2 0 275.418 -0.047 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188736202 352156971 /nfs/dbraw/zinc/15/69/71/352156971.db2.gz RBJZIQRTEIBXEC-VIFPVBQESA-N 2 0 263.345 -0.121 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000187605940 352139457 /nfs/dbraw/zinc/13/94/57/352139457.db2.gz YCACCFSJQDQNHE-LLVKDONJSA-N 2 0 268.361 -0.852 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000187974705 352144842 /nfs/dbraw/zinc/14/48/42/352144842.db2.gz NFRAOSOWKYJNHS-MELADBBJSA-N 2 0 297.399 -0.456 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000187974098 352144846 /nfs/dbraw/zinc/14/48/46/352144846.db2.gz GHPNJAMMMLLRBR-FRRDWIJNSA-N 2 0 287.404 -0.164 20 0 CBADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000188108293 352147811 /nfs/dbraw/zinc/14/78/11/352147811.db2.gz PQFQCUAJTRAJDX-MGPQQGTHSA-N 2 0 299.415 -0.020 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188181436 352148254 /nfs/dbraw/zinc/14/82/54/352148254.db2.gz QDOKCTYOBGNATJ-UHFFFAOYSA-N 2 0 292.387 -0.920 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000219035274 352237030 /nfs/dbraw/zinc/23/70/30/352237030.db2.gz HDWDKXYBRLZPKL-PWSUYJOCSA-N 2 0 270.377 -0.704 20 0 CBADRP C[NH2+]CC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000193127424 352203464 /nfs/dbraw/zinc/20/34/64/352203464.db2.gz XRWKVNKPHOJRLW-UHFFFAOYSA-N 2 0 263.345 -0.009 20 0 CBADRP C[NH2+]CC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000193139268 352203670 /nfs/dbraw/zinc/20/36/70/352203670.db2.gz SOCNPYBRXBUPHI-ZIAGYGMSSA-N 2 0 277.368 -0.043 20 0 CBADRP Cn1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000211828383 352229556 /nfs/dbraw/zinc/22/95/56/352229556.db2.gz HDQZRDPGYDUNQB-LLVKDONJSA-N 2 0 265.361 -0.293 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000227373492 352257546 /nfs/dbraw/zinc/25/75/46/352257546.db2.gz XFTWGCZRGYWHIY-OLZOCXBDSA-N 2 0 286.420 -0.652 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000227392842 352258234 /nfs/dbraw/zinc/25/82/34/352258234.db2.gz ULQBURJLSDKKHO-SDDRHHMPSA-N 2 0 255.362 -0.097 20 0 CBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000225550639 352248442 /nfs/dbraw/zinc/24/84/42/352248442.db2.gz IEOVCMRUMLQUTG-JHJVBQTASA-N 2 0 267.373 -0.204 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000232114753 352279009 /nfs/dbraw/zinc/27/90/09/352279009.db2.gz LPMWBSBNJMJRHV-JQWIXIFHSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)CCOCCNC(=O)c1ccnc(C[NH3+])c1 ZINC000234238073 352281636 /nfs/dbraw/zinc/28/16/36/352281636.db2.gz IXJPKSHFUBELMA-UHFFFAOYSA-N 2 0 266.345 -0.152 20 0 CBADRP CC(C)([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000236777749 352293033 /nfs/dbraw/zinc/29/30/33/352293033.db2.gz IOJCPTJOYPJMAJ-UHFFFAOYSA-N 2 0 282.388 -0.510 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N(C)CC[NH2+]C)CC1 ZINC000236844207 352295090 /nfs/dbraw/zinc/29/50/90/352295090.db2.gz SHGFWPYLYYWVMY-UHFFFAOYSA-N 2 0 256.394 -0.308 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000236839234 352295177 /nfs/dbraw/zinc/29/51/77/352295177.db2.gz IQIVQQBQRGERER-UHFFFAOYSA-N 2 0 296.415 -0.249 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000236838505 352295410 /nfs/dbraw/zinc/29/54/10/352295410.db2.gz ZSXOQPJYBYQPHM-AWEZNQCLSA-N 2 0 298.431 -0.018 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000236872965 352295453 /nfs/dbraw/zinc/29/54/53/352295453.db2.gz BAJKPYRYPDIVQK-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP CC[NH2+]CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000236951588 352296883 /nfs/dbraw/zinc/29/68/83/352296883.db2.gz 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CCNC(=O)NC(=O)CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250275030 352372054 /nfs/dbraw/zinc/37/20/54/352372054.db2.gz IHJXPMVQDQHCLY-VHSXEESVSA-N 2 0 256.350 -0.109 20 0 CBADRP CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000250394408 352372502 /nfs/dbraw/zinc/37/25/02/352372502.db2.gz YLGIWJNKFAVBKD-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1C[NH2+]CCO1 ZINC000250860708 352374533 /nfs/dbraw/zinc/37/45/33/352374533.db2.gz QDOWETVYWAKBNI-IJLUTSLNSA-N 2 0 253.346 -0.282 20 0 CBADRP Cn1c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc(=O)n(C)c1=O ZINC000252861953 352380696 /nfs/dbraw/zinc/38/06/96/352380696.db2.gz NTTFLMMHDFFPDQ-DRZSPHRISA-N 2 0 292.383 -0.357 20 0 CBADRP Cn1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c(=O)n(C)c1=O ZINC000261663089 352393147 /nfs/dbraw/zinc/39/31/47/352393147.db2.gz IKDNLHIXYVDAKX-ZDUSSCGKSA-N 2 0 266.345 -0.745 20 0 CBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000261749156 352395290 /nfs/dbraw/zinc/39/52/90/352395290.db2.gz PZCOIVPKQZAANX-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP O=C1CNCCN1[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261790520 352396785 /nfs/dbraw/zinc/39/67/85/352396785.db2.gz QEHGAHBVKIFDSN-CQSZACIVSA-N 2 0 280.416 -0.118 20 0 CBADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)C[C@H]1CCOC1 ZINC000262182138 352409495 /nfs/dbraw/zinc/40/94/95/352409495.db2.gz RCFRNBXQPSZIJC-GFCCVEGCSA-N 2 0 255.362 -0.223 20 0 CBADRP NC(=O)C1([NH2+]CCC(=O)N2CC[NH2+]CC2)CCCCC1 ZINC000262239568 352412089 /nfs/dbraw/zinc/41/20/89/352412089.db2.gz WBCZDVNNQBFQDM-UHFFFAOYSA-N 2 0 282.388 -0.414 20 0 CBADRP NC(=O)CC[C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262252676 352412363 /nfs/dbraw/zinc/41/23/63/352412363.db2.gz WZBWNKXSMUPZND-CYBMUJFWSA-N 2 0 296.415 -0.214 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC000262313944 352415422 /nfs/dbraw/zinc/41/54/22/352415422.db2.gz BTHMZXBSOPMGRE-WOPDTQHZSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@H](C[NH3+])C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000262336335 352417213 /nfs/dbraw/zinc/41/72/13/352417213.db2.gz HIOFTCFWXKVGKX-GFCCVEGCSA-N 2 0 270.421 -0.029 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CNC(=O)C[NH3+])C1 ZINC000262387224 352419146 /nfs/dbraw/zinc/41/91/46/352419146.db2.gz LOOMNPGBDXHXBV-ZJUUUORDSA-N 2 0 256.350 -0.950 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[NH+]1CCC(C)CC1 ZINC000262444476 352421343 /nfs/dbraw/zinc/42/13/43/352421343.db2.gz TXVJUBHOHHBLEM-JHJVBQTASA-N 2 0 269.389 -0.054 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000262487904 352423718 /nfs/dbraw/zinc/42/37/18/352423718.db2.gz YWEDQWQBSFOTBP-QCNOEVLYSA-N 2 0 255.362 -0.302 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000262545937 352425557 /nfs/dbraw/zinc/42/55/57/352425557.db2.gz SAOUNZIILVHDPW-UPJWGTAASA-N 2 0 285.388 -0.818 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000262578553 352426575 /nfs/dbraw/zinc/42/65/75/352426575.db2.gz HKKHKEVSZDJIBT-LBPRGKRZSA-N 2 0 298.431 -0.160 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262566815 352426626 /nfs/dbraw/zinc/42/66/26/352426626.db2.gz YCGVRGSVGDZQPQ-UTUOFQBUSA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C[NH2+]CC1CC1 ZINC000262628313 352428393 /nfs/dbraw/zinc/42/83/93/352428393.db2.gz CSWLQLKXVFVYSD-LBPRGKRZSA-N 2 0 268.405 -0.262 20 0 CBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000262651526 352429486 /nfs/dbraw/zinc/42/94/86/352429486.db2.gz AMHORJZCAUWCKI-UONOGXRCSA-N 2 0 299.415 -0.066 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000262774010 352433339 /nfs/dbraw/zinc/43/33/39/352433339.db2.gz JLJJQCVXAFMAPB-XQQFMLRXSA-N 2 0 287.404 -0.034 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000262766258 352433690 /nfs/dbraw/zinc/43/36/90/352433690.db2.gz ATYZMCBEXLZTHS-AGIUHOORSA-N 2 0 285.388 -0.471 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000263243393 352439971 /nfs/dbraw/zinc/43/99/71/352439971.db2.gz MAPQJQSOTCQVHF-SUNKGSAMSA-N 2 0 296.415 -0.173 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000263225764 352440226 /nfs/dbraw/zinc/44/02/26/352440226.db2.gz GKTKIZGIMSQYNI-OSMZGAPFSA-N 2 0 296.415 -0.315 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC2=[NH+]CCCN2)CC1 ZINC000261999716 352402976 /nfs/dbraw/zinc/40/29/76/352402976.db2.gz UBJVCELLNMEONS-GFCCVEGCSA-N 2 0 253.394 -0.049 20 0 CBADRP CCC(=O)N[C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262014565 352403156 /nfs/dbraw/zinc/40/31/56/352403156.db2.gz FSBRAOMDUXJSET-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262023291 352404448 /nfs/dbraw/zinc/40/44/48/352404448.db2.gz DEDKDRFEQOQXDT-DZGCQCFKSA-N 2 0 280.416 -0.212 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000262079775 352405889 /nfs/dbraw/zinc/40/58/89/352405889.db2.gz KOPFUDPNMUUEIY-FOGDFJRCSA-N 2 0 270.377 -0.705 20 0 CBADRP C[NH+]1CCN(c2ncccc2CNC(=O)C2C[NH2+]C2)CC1 ZINC000263328976 352443525 /nfs/dbraw/zinc/44/35/25/352443525.db2.gz UGEIFUNCBROAOX-UHFFFAOYSA-N 2 0 289.383 -0.331 20 0 CBADRP O=C(CO)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000294521659 352704333 /nfs/dbraw/zinc/70/43/33/352704333.db2.gz KTYSUAVBONHJAB-UHFFFAOYSA-N 2 0 278.356 -0.298 20 0 CBADRP OC[C@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@@H]1CO ZINC000304780961 352747728 /nfs/dbraw/zinc/74/77/28/352747728.db2.gz GAIMFTBMOXQKKA-ZIAGYGMSSA-N 2 0 272.389 -0.084 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000576478991 335210025 /nfs/dbraw/zinc/21/00/25/335210025.db2.gz JNPMJELPSIGJSS-NSHDSACASA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@H]([NH3+])C1CC[NH+](CCS(=O)(=O)N(C)C)CC1 ZINC000310156330 352758292 /nfs/dbraw/zinc/75/82/92/352758292.db2.gz OPXLTLCZSAWYTF-JTQLQIEISA-N 2 0 263.407 -0.063 20 0 CBADRP NC(=O)NC(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310910624 352762890 /nfs/dbraw/zinc/76/28/90/352762890.db2.gz YAGLJOKTUZWIOV-AOOOYVTPSA-N 2 0 254.334 -0.497 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000311515502 352767756 /nfs/dbraw/zinc/76/77/56/352767756.db2.gz CBJXAZBTOIQGLK-GWCFXTLKSA-N 2 0 268.361 -0.107 20 0 CBADRP CN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@H]1C[NH+]2CCC1CC2 ZINC000311755238 352770353 /nfs/dbraw/zinc/77/03/53/352770353.db2.gz UHOPBDVSJFBIAZ-OLZOCXBDSA-N 2 0 267.373 -0.083 20 0 CBADRP C[N@@H+]1CCC[C@H](CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000311996372 352773337 /nfs/dbraw/zinc/77/33/37/352773337.db2.gz PHKHJUGJLPJZMO-NEPJUHHUSA-N 2 0 291.417 -0.764 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000573918613 334977199 /nfs/dbraw/zinc/97/71/99/334977199.db2.gz UXJMJVSXVDNKCL-MNOVXSKESA-N 2 0 270.377 -0.656 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000331467377 352916664 /nfs/dbraw/zinc/91/66/64/352916664.db2.gz NREWFTOMAVMCEH-RYUDHWBXSA-N 2 0 282.388 -0.654 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000331483449 352918169 /nfs/dbraw/zinc/91/81/69/352918169.db2.gz IUAUINICXCYPJN-CQSZACIVSA-N 2 0 295.431 -0.229 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000331479407 352918552 /nfs/dbraw/zinc/91/85/52/352918552.db2.gz LMSLBZWJNBYZKZ-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000331492920 352919343 /nfs/dbraw/zinc/91/93/43/352919343.db2.gz RIVOYCOLZHSGDG-STQMWFEESA-N 2 0 296.415 -0.264 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000331503645 352919985 /nfs/dbraw/zinc/91/99/85/352919985.db2.gz SLOUMKIVZZUBGI-OLZOCXBDSA-N 2 0 296.415 -0.265 20 0 CBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000331528236 352922329 /nfs/dbraw/zinc/92/23/29/352922329.db2.gz DPPSEAONWRRXNN-NSHDSACASA-N 2 0 282.388 -0.511 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332620039 352970706 /nfs/dbraw/zinc/97/07/06/352970706.db2.gz TYUYAQRXEJTZLR-AGIUHOORSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC[NH2+]1 ZINC000332650722 352972678 /nfs/dbraw/zinc/97/26/78/352972678.db2.gz UKLIQOVLAVTZOR-FRRDWIJNSA-N 2 0 294.399 -0.498 20 0 CBADRP C[NH+](C)C[C@H]1CN(C(=O)NCC2([NH3+])CCC2)CCO1 ZINC000332452820 352953359 /nfs/dbraw/zinc/95/33/59/352953359.db2.gz HQRVGHCDADUGFA-NSHDSACASA-N 2 0 270.377 -0.160 20 0 CBADRP C[C@@H](CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[N@H+](C)C1CC1 ZINC000333355132 353000720 /nfs/dbraw/zinc/00/07/20/353000720.db2.gz KELFHTGDQVWDKA-OHBODLIOSA-N 2 0 252.362 -0.014 20 0 CBADRP C[C@H]1C[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C[N@@H+]1C1CC1 ZINC000333365567 353000855 /nfs/dbraw/zinc/00/08/55/353000855.db2.gz LSWWUOQHRWOJFD-RYUDHWBXSA-N 2 0 294.399 -0.005 20 0 CBADRP C[N@H+](CCNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000333440250 353001616 /nfs/dbraw/zinc/00/16/16/353001616.db2.gz VYTFXDZHNNUHJG-CQSZACIVSA-N 2 0 295.431 -0.230 20 0 CBADRP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCCOCC2)CC[NH2+]1 ZINC000333539575 353002242 /nfs/dbraw/zinc/00/22/42/353002242.db2.gz JBMFCMGSCWSMJR-GFCCVEGCSA-N 2 0 270.377 -0.288 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)N1CC[NH+](CC2CC2)CC1 ZINC000333561218 353003099 /nfs/dbraw/zinc/00/30/99/353003099.db2.gz QRKYEWVXVKZLEY-CYBMUJFWSA-N 2 0 282.388 -0.288 20 0 CBADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000333565172 353003737 /nfs/dbraw/zinc/00/37/37/353003737.db2.gz LVSUFIOFHQXKPW-GHMZBOCLSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@H]1CC2(C[N@@H+]1CC(=O)N1CCNC(=O)C1)CC[NH2+]CC2 ZINC000333644523 353006187 /nfs/dbraw/zinc/00/61/87/353006187.db2.gz XVXBUEJGAWAWRA-LBPRGKRZSA-N 2 0 294.399 -0.591 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000333692925 353008019 /nfs/dbraw/zinc/00/80/19/353008019.db2.gz PXJFBGJPOONWGU-AVGNSLFASA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000333692929 353008185 /nfs/dbraw/zinc/00/81/85/353008185.db2.gz PXJFBGJPOONWGU-UPJWGTAASA-N 2 0 284.404 -0.165 20 0 CBADRP CN(CCN1CCOC(C)(C)C1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333768296 353009763 /nfs/dbraw/zinc/00/97/63/353009763.db2.gz BPBVCTVHRAMLPW-ITGUQSILSA-N 2 0 296.415 -0.044 20 0 CBADRP CCCN(C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CC[NH2+]C1 ZINC000333888955 353013724 /nfs/dbraw/zinc/01/37/24/353013724.db2.gz XTTKIWODTQCRMX-NNYUYHANSA-N 2 0 252.362 -0.012 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333951320 353014476 /nfs/dbraw/zinc/01/44/76/353014476.db2.gz YXAKGXBTVPXJBG-AGIUHOORSA-N 2 0 284.404 -0.165 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000336828365 353060943 /nfs/dbraw/zinc/06/09/43/353060943.db2.gz KBZDCNQWUMGTRV-CYBMUJFWSA-N 2 0 286.420 -0.066 20 0 CBADRP Cn1c(C[NH+]2CCC(C[NH+](C)C)CC2)cc(=O)n(C)c1=O ZINC000336839995 353063214 /nfs/dbraw/zinc/06/32/14/353063214.db2.gz VHJOTAOZQDQJCZ-UHFFFAOYSA-N 2 0 294.399 -0.142 20 0 CBADRP CC[C@H](CO)[NH+]1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000336841978 353063277 /nfs/dbraw/zinc/06/32/77/353063277.db2.gz SYIPRLGMPPIRHZ-UKRRQHHQSA-N 2 0 285.432 -0.170 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NC[C@@H](C)[NH+](C)C ZINC000336736562 353050785 /nfs/dbraw/zinc/05/07/85/353050785.db2.gz YQEPXUNBZCIBFY-MWLCHTKSSA-N 2 0 258.366 -0.848 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NCC(C)(C)[NH+](C)C ZINC000336804993 353056463 /nfs/dbraw/zinc/05/64/63/353056463.db2.gz PZRRCKRNZSFEHQ-LLVKDONJSA-N 2 0 272.393 -0.458 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000337438285 353083060 /nfs/dbraw/zinc/08/30/60/353083060.db2.gz XIASWAMYTSUQFN-YPMHNXCESA-N 2 0 274.409 -0.062 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339633075 353135469 /nfs/dbraw/zinc/13/54/69/353135469.db2.gz ZLVIOCRPWGTSBV-UHFFFAOYSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000339582887 353135612 /nfs/dbraw/zinc/13/56/12/353135612.db2.gz SYIFLGKKQUNTRY-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP COC(=O)C1CC[NH+](CCCNC(=O)C[NH+](C)C)CC1 ZINC000340107370 353151074 /nfs/dbraw/zinc/15/10/74/353151074.db2.gz BICPMFSKOFPVQF-UHFFFAOYSA-N 2 0 285.388 -0.061 20 0 CBADRP C[C@H]([NH3+])CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000340185805 353155950 /nfs/dbraw/zinc/15/59/50/353155950.db2.gz PFWVVTDJLOILBX-QWRGUYRKSA-N 2 0 270.377 -0.573 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340483005 353172774 /nfs/dbraw/zinc/17/27/74/353172774.db2.gz ZWNGCGFNMBGNKK-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000341253657 353207476 /nfs/dbraw/zinc/20/74/76/353207476.db2.gz DDRBJEHDMDOIJJ-VXGBXAGGSA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@H](NC(=O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)C(=O)N(C)C ZINC000342077446 353219003 /nfs/dbraw/zinc/21/90/03/353219003.db2.gz BVDVBUICVDTEMN-ZDEQEGDKSA-N 2 0 296.415 -0.362 20 0 CBADRP COC(=O)c1cn(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)nn1 ZINC000342807026 353233161 /nfs/dbraw/zinc/23/31/61/353233161.db2.gz VKQYIJAKCBMZLU-WDEREUQCSA-N 2 0 281.360 -0.006 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000342649782 353225249 /nfs/dbraw/zinc/22/52/49/353225249.db2.gz KFEWIUCUMSNDKQ-SNVBAGLBSA-N 2 0 273.377 -0.029 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CCC(=O)OC ZINC000342695885 353228239 /nfs/dbraw/zinc/22/82/39/353228239.db2.gz GLOPRDBWGOOILP-WDEREUQCSA-N 2 0 271.361 -0.133 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000342736210 353230571 /nfs/dbraw/zinc/23/05/71/353230571.db2.gz MTVXKRJBVSPCDU-MWLCHTKSSA-N 2 0 269.345 -0.380 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000342753073 353230936 /nfs/dbraw/zinc/23/09/36/353230936.db2.gz PBGMFXZGLAUFOG-ZJUUUORDSA-N 2 0 257.334 -0.523 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[NH+](C)C1CC1 ZINC000343245341 353261804 /nfs/dbraw/zinc/26/18/04/353261804.db2.gz CCEPONGOZFKMCZ-JSGCOSHPSA-N 2 0 280.416 -0.025 20 0 CBADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000343642540 353283007 /nfs/dbraw/zinc/28/30/07/353283007.db2.gz OZNBMFBIISECLJ-OUAUKWLOSA-N 2 0 268.361 -0.807 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC1=CC[NH+](C)CC1 ZINC000343694445 353285350 /nfs/dbraw/zinc/28/53/50/353285350.db2.gz NZDUGTQWFOLESF-CQSZACIVSA-N 2 0 295.431 -0.207 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000343863182 353295298 /nfs/dbraw/zinc/29/52/98/353295298.db2.gz OTINSDMVTGDCSK-VHSXEESVSA-N 2 0 257.334 -0.571 20 0 CBADRP Cn1cc(C[N@H+](C)CC(C)(C)C[NH3+])c(=O)n(C)c1=O ZINC000346687514 353390414 /nfs/dbraw/zinc/39/04/14/353390414.db2.gz WKOWISMEDIWOIA-UHFFFAOYSA-N 2 0 268.361 -0.499 20 0 CBADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)C2)C1 ZINC000346325499 353371150 /nfs/dbraw/zinc/37/11/50/353371150.db2.gz NXFKHWUXNBPOPL-GOEBONIOSA-N 2 0 292.427 -0.070 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)CCOC2C[NH2+]C2)CC[N@@H+]1C ZINC000348988510 353443356 /nfs/dbraw/zinc/44/33/56/353443356.db2.gz HXODRRVWEKSSTK-MNOVXSKESA-N 2 0 255.362 -0.036 20 0 CBADRP O=C(CCOC1C[NH2+]C1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349004264 353444008 /nfs/dbraw/zinc/44/40/08/353444008.db2.gz RCNODSNIYMWXQI-LLVKDONJSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H](CNC(=O)CCOC1C[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000349006214 353444801 /nfs/dbraw/zinc/44/48/01/353444801.db2.gz TYEIWFVPIGCYCD-ZDUSSCGKSA-N 2 0 298.431 -0.635 20 0 CBADRP C[C@H](CNC(=O)CCOC1C[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000349006207 353444895 /nfs/dbraw/zinc/44/48/95/353444895.db2.gz TYEIWFVPIGCYCD-CYBMUJFWSA-N 2 0 298.431 -0.635 20 0 CBADRP CCCN(C(=O)CCOC1C[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000349023727 353444970 /nfs/dbraw/zinc/44/49/70/353444970.db2.gz CLPQGWXBGSXOOO-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)CCOC2C[NH2+]C2)C1 ZINC000349009549 353445030 /nfs/dbraw/zinc/44/50/30/353445030.db2.gz XGRWPSCRHLLNLZ-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)CCOC2C[NH2+]C2)CCSC1 ZINC000349032659 353445618 /nfs/dbraw/zinc/44/56/18/353445618.db2.gz YCPJFUVIWWBOEA-ZDUSSCGKSA-N 2 0 287.429 -0.082 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)CCOC2C[NH2+]C2)CC1 ZINC000349032563 353446009 /nfs/dbraw/zinc/44/60/09/353446009.db2.gz XKOWWEQYVNXEGK-UHFFFAOYSA-N 2 0 299.415 -0.018 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000349935838 353468572 /nfs/dbraw/zinc/46/85/72/353468572.db2.gz KLYRXRLUCHQPSM-QWRGUYRKSA-N 2 0 270.377 -0.750 20 0 CBADRP CCOCCNC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351496368 353475872 /nfs/dbraw/zinc/47/58/72/353475872.db2.gz RKCUFUGIHDTAEV-QJPTWQEYSA-N 2 0 255.362 -0.192 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(CC(=O)NCC(=O)N3CCCC3)C[C@H]12 ZINC000351496682 353475996 /nfs/dbraw/zinc/47/59/96/353475996.db2.gz RULRFMPJCVANTJ-FRRDWIJNSA-N 2 0 294.399 -0.606 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000353072201 353520296 /nfs/dbraw/zinc/52/02/96/353520296.db2.gz SEUPCONGRFJCSV-UHFFFAOYSA-N 2 0 270.377 -0.782 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354662697 353576015 /nfs/dbraw/zinc/57/60/15/353576015.db2.gz BUOIBVUPWJEKEZ-LLVKDONJSA-N 2 0 284.404 -0.122 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354665137 353576087 /nfs/dbraw/zinc/57/60/87/353576087.db2.gz DZOPFNANVODZPU-NWDGAFQWSA-N 2 0 284.404 -0.266 20 0 CBADRP CC[NH+]1CCC(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000354700388 353578945 /nfs/dbraw/zinc/57/89/45/353578945.db2.gz ALQVWWVHCQUOFR-ZDUSSCGKSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH+](C)CCCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354713842 353580137 /nfs/dbraw/zinc/58/01/37/353580137.db2.gz RNKDUUCGJIYCAT-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354747694 353582283 /nfs/dbraw/zinc/58/22/83/353582283.db2.gz AAHGFWRVMLWBSK-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354747727 353582628 /nfs/dbraw/zinc/58/26/28/353582628.db2.gz AAHGFWRVMLWBSK-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000357066140 353601110 /nfs/dbraw/zinc/60/11/10/353601110.db2.gz BQIZDHBRJIUJFW-LLVKDONJSA-N 2 0 279.406 -0.635 20 0 CBADRP C[NH2+]CCC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000357178571 353601744 /nfs/dbraw/zinc/60/17/44/353601744.db2.gz SNHYOHDUXJSRAT-JTQLQIEISA-N 2 0 256.350 -0.948 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000358110707 353626994 /nfs/dbraw/zinc/62/69/94/353626994.db2.gz NECMHHUXMCGIQR-UHFFFAOYSA-N 2 0 286.420 -0.146 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000358501790 353648156 /nfs/dbraw/zinc/64/81/56/353648156.db2.gz OGXKEABBWNIDBR-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP C[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CCCC[NH2+]1 ZINC000357811236 353607616 /nfs/dbraw/zinc/60/76/16/353607616.db2.gz TVWUINHQEDFEHD-DOMZBBRYSA-N 2 0 296.415 -0.025 20 0 CBADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000357903368 353613206 /nfs/dbraw/zinc/61/32/06/353613206.db2.gz GGZBDJHIAUFOTE-KBPBESRZSA-N 2 0 299.415 -0.285 20 0 CBADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@@H](C(N)=O)O1 ZINC000359200736 353652282 /nfs/dbraw/zinc/65/22/82/353652282.db2.gz GXJRCDWQWQJJHN-JQWIXIFHSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000357906557 353613568 /nfs/dbraw/zinc/61/35/68/353613568.db2.gz DNDICFBZFFXIHA-KBPBESRZSA-N 2 0 298.431 -0.901 20 0 CBADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000357906562 353613605 /nfs/dbraw/zinc/61/36/05/353613605.db2.gz DNDICFBZFFXIHA-ZIAGYGMSSA-N 2 0 298.431 -0.901 20 0 CBADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@@H](C)O1 ZINC000357930626 353615401 /nfs/dbraw/zinc/61/54/01/353615401.db2.gz OSAURQQLFGKNPN-MQYQWHSLSA-N 2 0 299.415 -0.285 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)Cc1ccccc1 ZINC000357938307 353615971 /nfs/dbraw/zinc/61/59/71/353615971.db2.gz XVNSRKWZIMMUCS-SOUVJXGZSA-N 2 0 291.395 -0.002 20 0 CBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000357939372 353616063 /nfs/dbraw/zinc/61/60/63/353616063.db2.gz ZIYYYVWMOKTMAR-YNEHKIRRSA-N 2 0 269.389 -0.101 20 0 CBADRP CCCNC(=O)CN1CCC[C@H](N2CCNCC2=O)C1 ZINC000362826659 353668221 /nfs/dbraw/zinc/66/82/21/353668221.db2.gz PMJYPLDEBFWETH-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP CC(C)CNC(=O)CN1CCC[C@H](N2CCNCC2=O)C1 ZINC000362827089 353668469 /nfs/dbraw/zinc/66/84/69/353668469.db2.gz RRJRXDZEXRNZLD-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@H+]([C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCNC1=O ZINC000363478487 353669710 /nfs/dbraw/zinc/66/97/10/353669710.db2.gz LUKNLUZCCZPGJB-KGLIPLIRSA-N 2 0 280.416 -0.025 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3C[NH2+]CCO3)CC2)C1 ZINC000364574230 353671893 /nfs/dbraw/zinc/67/18/93/353671893.db2.gz DAMASJPHFPUNOE-ZIAGYGMSSA-N 2 0 296.415 -0.787 20 0 CBADRP O=C(N1CCN([C@@H]2CC[NH2+]C2)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000368006689 353684003 /nfs/dbraw/zinc/68/40/03/353684003.db2.gz BDFJNSQIATVQLZ-IIAWOOMASA-N 2 0 292.427 -0.118 20 0 CBADRP COCC[C@]1(C(=O)NC[C@@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000370789253 353692752 /nfs/dbraw/zinc/69/27/52/353692752.db2.gz WEMXQQAPACQJEO-WCQYABFASA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(NCC[N@H+]1CC=CCC1)[C@H]1C[NH+]2CCN1CCC2 ZINC000373759212 353735703 /nfs/dbraw/zinc/73/57/03/353735703.db2.gz RDCDFPIIKQITOC-CQSZACIVSA-N 2 0 278.400 -0.246 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000371262686 353698925 /nfs/dbraw/zinc/69/89/25/353698925.db2.gz PAZZBLAVWURUKB-AAEUAGOBSA-N 2 0 272.368 -0.560 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCN1CCC2)C1CC1 ZINC000371345853 353700892 /nfs/dbraw/zinc/70/08/92/353700892.db2.gz SUTVTFACFARAFZ-CQSZACIVSA-N 2 0 280.416 -0.023 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000372902877 353724365 /nfs/dbraw/zinc/72/43/65/353724365.db2.gz JFJDXYWHGCJSCU-SLEUVZQESA-N 2 0 299.415 -0.129 20 0 CBADRP C[C@H]1[NH2+]CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)[C@H]1C ZINC000375383584 353759632 /nfs/dbraw/zinc/75/96/32/353759632.db2.gz CXYBGWLAYRWMRU-WVWOOGAGSA-N 2 0 291.399 -0.068 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000375421994 353760146 /nfs/dbraw/zinc/76/01/46/353760146.db2.gz ONWOMTHCKRSOHP-UTUOFQBUSA-N 2 0 255.362 -0.537 20 0 CBADRP C[NH2+]CCC(=O)N1CCCN(CC(=O)NC(C)C)CC1 ZINC000375913897 353768887 /nfs/dbraw/zinc/76/88/87/353768887.db2.gz YERVGZKEWNEMMX-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000375931847 353769632 /nfs/dbraw/zinc/76/96/32/353769632.db2.gz DKFRHNVOFWICLB-XQQFMLRXSA-N 2 0 263.341 -0.087 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000375961733 353769695 /nfs/dbraw/zinc/76/96/95/353769695.db2.gz DFHMDMOKNIPLLB-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP COC[C@@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000375931848 353769951 /nfs/dbraw/zinc/76/99/51/353769951.db2.gz DKFRHNVOFWICLB-YNEHKIRRSA-N 2 0 263.341 -0.087 20 0 CBADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000376062482 353771222 /nfs/dbraw/zinc/77/12/22/353771222.db2.gz SCAABZLDWJBCRG-RWMBFGLXSA-N 2 0 268.405 -0.134 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000376252274 353773739 /nfs/dbraw/zinc/77/37/39/353773739.db2.gz GPTGPPVYKSZIQW-SNVBAGLBSA-N 2 0 293.371 -0.494 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000376719515 353775591 /nfs/dbraw/zinc/77/55/91/353775591.db2.gz DFLISQZFGPZJDP-YPMHNXCESA-N 2 0 273.352 -0.085 20 0 CBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000377198684 353777751 /nfs/dbraw/zinc/77/77/51/353777751.db2.gz QSTOEYNNHUCFLB-CHWSQXEVSA-N 3 0 280.416 -0.119 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377559949 353778391 /nfs/dbraw/zinc/77/83/91/353778391.db2.gz FCEQEHPEDBEYFY-HZSPNIEDSA-N 2 0 280.416 -0.119 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(C2(C(N)=O)CCCC2)CC1 ZINC000373798752 353736423 /nfs/dbraw/zinc/73/64/23/353736423.db2.gz FRJUGCYWLXWJPL-RYUDHWBXSA-N 2 0 296.415 -0.088 20 0 CBADRP CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000400151967 353799863 /nfs/dbraw/zinc/79/98/63/353799863.db2.gz BWMBSXILQDQXSM-OUAUKWLOSA-N 2 0 261.391 -0.263 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN(C)C[C@@H]1CCC[NH+]1C ZINC000388891485 353790272 /nfs/dbraw/zinc/79/02/72/353790272.db2.gz FWFWMVPSIDCIQY-KBPBESRZSA-N 2 0 273.421 -0.049 20 0 CBADRP C[C@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1CC(C)(C)O ZINC000418394629 353996801 /nfs/dbraw/zinc/99/68/01/353996801.db2.gz XZXYBNIDJCEECI-NWDGAFQWSA-N 2 0 284.404 -0.165 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418402943 353996974 /nfs/dbraw/zinc/99/69/74/353996974.db2.gz HQRUFIDZGVLWSO-YNEHKIRRSA-N 2 0 283.420 -0.293 20 0 CBADRP CC[NH+](CC)CCNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000416789680 353973157 /nfs/dbraw/zinc/97/31/57/353973157.db2.gz KWILPMHSMOWDCI-NSHDSACASA-N 2 0 258.366 -0.384 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)C[NH3+])C1 ZINC000416873439 353973806 /nfs/dbraw/zinc/97/38/06/353973806.db2.gz RQJAFCACVOQUMI-NWDGAFQWSA-N 2 0 272.393 -0.010 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H](C[NH3+])C2CC2)[C@H](C)C1 ZINC000418409093 353997006 /nfs/dbraw/zinc/99/70/06/353997006.db2.gz VGXAQJGRGWAXGI-NTZNESFSSA-N 2 0 284.404 -0.180 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)NCC2([NH3+])CCC2)C1 ZINC000417709421 353981868 /nfs/dbraw/zinc/98/18/68/353981868.db2.gz OVCQHHNOUJZXAH-NSHDSACASA-N 2 0 270.377 -0.112 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)NC[C@H](C)C[NH3+] ZINC000417748420 353983096 /nfs/dbraw/zinc/98/30/96/353983096.db2.gz IEUSGEBIPLQBTK-LLVKDONJSA-N 2 0 260.382 -0.151 20 0 CBADRP C[C@@H]1[C@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CCC[N@@H+]1C ZINC000418011598 353986198 /nfs/dbraw/zinc/98/61/98/353986198.db2.gz XBRSGUVTBIJWPY-WYUUTHIRSA-N 2 0 270.377 -0.557 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)NCCOCC[NH+](C)C ZINC000418063619 353987208 /nfs/dbraw/zinc/98/72/08/353987208.db2.gz HEXVRWKVXZRFPI-NSHDSACASA-N 2 0 260.382 -0.153 20 0 CBADRP C[C@@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000418286188 353989901 /nfs/dbraw/zinc/98/99/01/353989901.db2.gz HHZYZRYYYRJMJV-OLZOCXBDSA-N 2 0 283.420 -0.327 20 0 CBADRP C[NH2+]CCCNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000418280276 353990548 /nfs/dbraw/zinc/99/05/48/353990548.db2.gz RGDRMLZDRUBUKW-GFCCVEGCSA-N 2 0 272.393 -0.258 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418443184 353997693 /nfs/dbraw/zinc/99/76/93/353997693.db2.gz NOIWXQRVVBOEOD-NEPJUHHUSA-N 2 0 271.409 -0.437 20 0 CBADRP C[NH2+]CCCNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000418309809 353992669 /nfs/dbraw/zinc/99/26/69/353992669.db2.gz OBDIFKFCGZDMMZ-CYBMUJFWSA-N 2 0 286.420 -0.012 20 0 CBADRP CC[NH2+]CCNC(=O)N(CCOC)CC[NH+](C)C ZINC000418317305 353993004 /nfs/dbraw/zinc/99/30/04/353993004.db2.gz MAXKWEVLEWDMOZ-UHFFFAOYSA-N 2 0 260.382 -0.185 20 0 CBADRP C[NH2+]CCNC(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000418316881 353993161 /nfs/dbraw/zinc/99/31/61/353993161.db2.gz KYNNSYVOPQWGED-UHFFFAOYSA-N 2 0 273.425 -0.269 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418453132 353997840 /nfs/dbraw/zinc/99/78/40/353997840.db2.gz YSANBRIOQCSKKZ-WDEREUQCSA-N 2 0 258.366 -0.209 20 0 CBADRP O=C(NC[C@H]1CCCC[N@H+]1CCO)N[C@@H]1CC[NH2+]C1 ZINC000418374691 353994822 /nfs/dbraw/zinc/99/48/22/353994822.db2.gz GYCTUIHGMHYVQN-VXGBXAGGSA-N 2 0 270.377 -0.506 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000418362975 353995107 /nfs/dbraw/zinc/99/51/07/353995107.db2.gz BOEKQIJLNJJNCP-QWHCGFSZSA-N 2 0 286.420 -0.012 20 0 CBADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@@H]1CCC[NH2+]C1 ZINC000418375630 353995165 /nfs/dbraw/zinc/99/51/65/353995165.db2.gz FAKVZIGYDUETQM-OLZOCXBDSA-N 2 0 284.404 -0.116 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000418361133 353995203 /nfs/dbraw/zinc/99/52/03/353995203.db2.gz GSYFTMBIIBOQQC-OLZOCXBDSA-N 2 0 284.404 -0.116 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000418446585 353997925 /nfs/dbraw/zinc/99/79/25/353997925.db2.gz OCRLNJBKGONIKC-NSHDSACASA-N 2 0 270.377 -0.112 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000419236852 354039978 /nfs/dbraw/zinc/03/99/78/354039978.db2.gz LDSVUUNOEQPSCK-LLVKDONJSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419232040 354040427 /nfs/dbraw/zinc/04/04/27/354040427.db2.gz UBWILIKHXLUIIA-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000419243652 354040850 /nfs/dbraw/zinc/04/08/50/354040850.db2.gz SQQWKOGAQVMQEN-LLVKDONJSA-N 2 0 284.404 -0.441 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419281807 354043607 /nfs/dbraw/zinc/04/36/07/354043607.db2.gz HCHOFBLYAUPBKY-NSHDSACASA-N 2 0 272.393 -0.360 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418442480 353998319 /nfs/dbraw/zinc/99/83/19/353998319.db2.gz NAFBPVGQAAFTAD-QWRGUYRKSA-N 2 0 258.366 -0.353 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000418477222 353999135 /nfs/dbraw/zinc/99/91/35/353999135.db2.gz UTCTZIKPGKHJBN-WOPDTQHZSA-N 2 0 272.393 -0.322 20 0 CBADRP C[C@H](C[NH3+])NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000418511921 353999853 /nfs/dbraw/zinc/99/98/53/353999853.db2.gz KLHRAHZVAPROJV-NEPJUHHUSA-N 2 0 272.393 -0.274 20 0 CBADRP C[C@H](C[NH3+])NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000418518239 354001290 /nfs/dbraw/zinc/00/12/90/354001290.db2.gz XADBDCMIJAJNDN-GFCCVEGCSA-N 2 0 297.403 -0.717 20 0 CBADRP C[C@@]1(CNC(=O)NC[C@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000418536141 354002677 /nfs/dbraw/zinc/00/26/77/354002677.db2.gz IKIRTFAGSQYWIR-DGCLKSJQSA-N 2 0 270.377 -0.336 20 0 CBADRP [NH3+]C[C@H](NC(=O)NC[C@H]1C[NH2+]CCO1)C1CCCC1 ZINC000418598162 354003132 /nfs/dbraw/zinc/00/31/32/354003132.db2.gz QIKSLNXSFXZBJZ-NEPJUHHUSA-N 2 0 270.377 -0.209 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000418556354 354003327 /nfs/dbraw/zinc/00/33/27/354003327.db2.gz FIZAVYBYCPSNMU-WZRBSPASSA-N 2 0 272.393 -0.404 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418666536 354005040 /nfs/dbraw/zinc/00/50/40/354005040.db2.gz FAZHSMAQWORYOK-GDNZZTSVSA-N 2 0 252.362 -0.059 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000418675313 354005128 /nfs/dbraw/zinc/00/51/28/354005128.db2.gz RKBWKDWONXYYQH-WYUUTHIRSA-N 2 0 250.346 -0.306 20 0 CBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418679412 354005907 /nfs/dbraw/zinc/00/59/07/354005907.db2.gz WUVIOSLTKXKLLU-NNYUYHANSA-N 2 0 252.362 -0.060 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)NCCNc1cc[nH+]cc1 ZINC000418728790 354006077 /nfs/dbraw/zinc/00/60/77/354006077.db2.gz NQHRLLPKAXBHPT-JTQLQIEISA-N 2 0 251.334 -0.048 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)N(CCOC)CC[NH+](C)C ZINC000418705512 354006437 /nfs/dbraw/zinc/00/64/37/354006437.db2.gz DPLWJWJQJRRMGE-NSHDSACASA-N 2 0 260.382 -0.057 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418758244 354007284 /nfs/dbraw/zinc/00/72/84/354007284.db2.gz FISCHDBSMHYBCB-SDDRHHMPSA-N 2 0 270.377 -0.114 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC(C)(C)C[NH+](C)C ZINC000418751309 354007371 /nfs/dbraw/zinc/00/73/71/354007371.db2.gz AEEPFBBAVILLQF-LLVKDONJSA-N 2 0 271.409 -0.471 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000418763049 354007924 /nfs/dbraw/zinc/00/79/24/354007924.db2.gz JIAZIRVSHCNMMQ-NWDGAFQWSA-N 2 0 270.377 -0.290 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418767220 354007958 /nfs/dbraw/zinc/00/79/58/354007958.db2.gz NTMYABXEBUIAMH-VXGBXAGGSA-N 2 0 270.377 -0.242 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000418763085 354008120 /nfs/dbraw/zinc/00/81/20/354008120.db2.gz JKSXJAUYEYTUBC-GFCCVEGCSA-N 2 0 270.377 -0.290 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000418771370 354008918 /nfs/dbraw/zinc/00/89/18/354008918.db2.gz VPUBNUMHAXJVPZ-CYBMUJFWSA-N 2 0 283.420 -0.373 20 0 CBADRP C[NH+](C)CC1(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCCC1 ZINC000418799882 354009907 /nfs/dbraw/zinc/00/99/07/354009907.db2.gz BPAYHXNXURPCSG-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CCCC1 ZINC000418831756 354010549 /nfs/dbraw/zinc/01/05/49/354010549.db2.gz VHOJXQWDGWTOKT-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)(CNC(=O)C(=O)NCC[NH3+])[NH+]1CCCCC1 ZINC000418836178 354011390 /nfs/dbraw/zinc/01/13/90/354011390.db2.gz PIPZCJCYVQVASZ-UHFFFAOYSA-N 2 0 270.377 -0.558 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000418876521 354014176 /nfs/dbraw/zinc/01/41/76/354014176.db2.gz MMCLGZJQVXCMCK-RYUDHWBXSA-N 2 0 296.415 -0.204 20 0 CBADRP CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000418938456 354016800 /nfs/dbraw/zinc/01/68/00/354016800.db2.gz QBQUNCOMODIAEW-LBPRGKRZSA-N 2 0 298.431 -0.064 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000418944355 354016833 /nfs/dbraw/zinc/01/68/33/354016833.db2.gz NPDXTRMXZRWHPO-LBPRGKRZSA-N 2 0 292.383 -0.302 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000418971035 354017636 /nfs/dbraw/zinc/01/76/36/354017636.db2.gz XBASSLOJIJCXHA-LBPRGKRZSA-N 2 0 292.383 -0.302 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCCCC[N@H+](C)C2CC2)CC[NH2+]1 ZINC000418985081 354019594 /nfs/dbraw/zinc/01/95/94/354019594.db2.gz DYZHPQSZYMMQGL-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000418991347 354019862 /nfs/dbraw/zinc/01/98/62/354019862.db2.gz MOQIIYJRBRWHBN-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000418989540 354020448 /nfs/dbraw/zinc/02/04/48/354020448.db2.gz UFHFSIZYBKELTG-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000418997312 354020901 /nfs/dbraw/zinc/02/09/01/354020901.db2.gz LERFNWSCWUTVRY-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000418994669 354021402 /nfs/dbraw/zinc/02/14/02/354021402.db2.gz HZDXOGFSJCJHLY-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000418997094 354021474 /nfs/dbraw/zinc/02/14/74/354021474.db2.gz KSJYCYGOLTUURK-LBPRGKRZSA-N 2 0 284.404 -0.310 20 0 CBADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000419007193 354023021 /nfs/dbraw/zinc/02/30/21/354023021.db2.gz UBEUYPXASWDIHU-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000419018327 354023552 /nfs/dbraw/zinc/02/35/52/354023552.db2.gz BWAHTNZIJWFIKK-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419018923 354024501 /nfs/dbraw/zinc/02/45/01/354024501.db2.gz CVUSIUXPAPZSSG-YVECIDJPSA-N 2 0 298.431 -0.068 20 0 CBADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCC[NH3+] ZINC000419030614 354025168 /nfs/dbraw/zinc/02/51/68/354025168.db2.gz UBYHNKDNTYHFID-UPJWGTAASA-N 2 0 298.431 -0.066 20 0 CBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419081216 354027573 /nfs/dbraw/zinc/02/75/73/354027573.db2.gz RHTSMVBRUXSKOQ-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419111653 354028356 /nfs/dbraw/zinc/02/83/56/354028356.db2.gz UGYDVRXLCSHCMT-WCQYABFASA-N 2 0 296.415 -0.075 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)C1CC1 ZINC000419107831 354028903 /nfs/dbraw/zinc/02/89/03/354028903.db2.gz QAFBHLHKIMBRNC-SNVBAGLBSA-N 2 0 268.361 -0.935 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000419138169 354030302 /nfs/dbraw/zinc/03/03/02/354030302.db2.gz QKGIIIWZDOZYGN-UPJWGTAASA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419133822 354030417 /nfs/dbraw/zinc/03/04/17/354030417.db2.gz HGUNUGOKIWBAGG-XQQFMLRXSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000419131785 354030421 /nfs/dbraw/zinc/03/04/21/354030421.db2.gz DJKWICGMLUPGAF-WDEREUQCSA-N 2 0 272.393 -0.443 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419136211 354030674 /nfs/dbraw/zinc/03/06/74/354030674.db2.gz MUXURSGKJSPKEN-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419283581 354043293 /nfs/dbraw/zinc/04/32/93/354043293.db2.gz JQFMDIGHVDMHKR-GFCCVEGCSA-N 2 0 284.404 -0.312 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419282287 354043663 /nfs/dbraw/zinc/04/36/63/354043663.db2.gz HTQXLPSDGZOVAN-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000419159456 354034139 /nfs/dbraw/zinc/03/41/39/354034139.db2.gz ZCYLNNNTTZGPDL-ZYHUDNBSSA-N 2 0 282.388 -0.561 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419215565 354037543 /nfs/dbraw/zinc/03/75/43/354037543.db2.gz ABXBSPHIWLZSPX-CYBMUJFWSA-N 2 0 294.399 -0.377 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000419223346 354038326 /nfs/dbraw/zinc/03/83/26/354038326.db2.gz MHDKFGMSBLXRNU-CYBMUJFWSA-N 2 0 294.399 -0.296 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000419226793 354039016 /nfs/dbraw/zinc/03/90/16/354039016.db2.gz RIZHTRDMYOTZRX-CYBMUJFWSA-N 2 0 294.399 -0.296 20 0 CBADRP C[C@@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)C(C)(C)C[NH+](C)C ZINC000419550621 354061701 /nfs/dbraw/zinc/06/17/01/354061701.db2.gz VCBXMRJFKZINKR-MNOVXSKESA-N 2 0 284.404 -0.362 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000419555104 354061890 /nfs/dbraw/zinc/06/18/90/354061890.db2.gz IYZWPIAGGBEZCK-SRVKXCTJSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)CCC[N@@H+]1C ZINC000419563767 354062152 /nfs/dbraw/zinc/06/21/52/354062152.db2.gz WWQMKZNZWLFUNB-YUSALJHKSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000419585682 354063583 /nfs/dbraw/zinc/06/35/83/354063583.db2.gz LXTSSSNJRSPYDJ-MNOVXSKESA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[N@H+](C)C1CC1 ZINC000419576852 354063948 /nfs/dbraw/zinc/06/39/48/354063948.db2.gz CNASCCTZLXHGIE-WOPDTQHZSA-N 2 0 296.415 -0.206 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419582161 354064002 /nfs/dbraw/zinc/06/40/02/354064002.db2.gz JERYZAVKMHNHEY-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000419585694 354064162 /nfs/dbraw/zinc/06/41/62/354064162.db2.gz MAGXQZCAZKGGNK-GHMZBOCLSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000419581583 354064196 /nfs/dbraw/zinc/06/41/96/354064196.db2.gz INYWJVSCFRZQSZ-WDEREUQCSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000419580879 354064227 /nfs/dbraw/zinc/06/42/27/354064227.db2.gz HVFSLDMTQOUWKP-ZYHUDNBSSA-N 2 0 282.388 -0.465 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000419591373 354064556 /nfs/dbraw/zinc/06/45/56/354064556.db2.gz QXYINZOUJUSNQX-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)[N@H+](C)C1CC1 ZINC000419587105 354064699 /nfs/dbraw/zinc/06/46/99/354064699.db2.gz NGEKBAIBLVYKIH-SNVBAGLBSA-N 2 0 282.388 -0.417 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000419586406 354064809 /nfs/dbraw/zinc/06/48/09/354064809.db2.gz MWIUAUHUNYADOT-JQWIXIFHSA-N 2 0 284.404 -0.315 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000419590908 354065235 /nfs/dbraw/zinc/06/52/35/354065235.db2.gz QUKZTBRORVYRGE-ZJUUUORDSA-N 2 0 270.377 -0.704 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCC[NH2+]C ZINC000419587028 354065450 /nfs/dbraw/zinc/06/54/50/354065450.db2.gz NDWLIVAMVQUVPU-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH2+]C ZINC000419590378 354065676 /nfs/dbraw/zinc/06/56/76/354065676.db2.gz QGCMSSSCNQFFAK-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CC(C)(CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C[NH+]1CCCC1 ZINC000419667010 354068252 /nfs/dbraw/zinc/06/82/52/354068252.db2.gz RJKBOPNVWGIRSM-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000419668767 354068264 /nfs/dbraw/zinc/06/82/64/354068264.db2.gz UUJXGPVCHRVWJW-LBPRGKRZSA-N 2 0 298.431 -0.064 20 0 CBADRP CC(C)(CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000419661043 354068320 /nfs/dbraw/zinc/06/83/20/354068320.db2.gz DPIPLSHWOZDGMS-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419697185 354070120 /nfs/dbraw/zinc/07/01/20/354070120.db2.gz QHFMRNKJUWQMGF-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419698025 354070538 /nfs/dbraw/zinc/07/05/38/354070538.db2.gz RRLPHQXQEUBVCM-QWRGUYRKSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)C[C@H]1[NH3+] ZINC000419697365 354070549 /nfs/dbraw/zinc/07/05/49/354070549.db2.gz QKHYDONNFNPGRS-DGCLKSJQSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H](CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCCCC1 ZINC000419716759 354071257 /nfs/dbraw/zinc/07/12/57/354071257.db2.gz SAXTXIRHNPNVEI-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000419716131 354071336 /nfs/dbraw/zinc/07/13/36/354071336.db2.gz QIGMGOVZJHUTSY-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419718040 354072135 /nfs/dbraw/zinc/07/21/35/354072135.db2.gz AKEUQKZFVAGRJB-NSHDSACASA-N 2 0 270.377 -0.702 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419720576 354072246 /nfs/dbraw/zinc/07/22/46/354072246.db2.gz FTEJVBCKNFHNMN-SNVBAGLBSA-N 2 0 258.366 -0.845 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000419729179 354073095 /nfs/dbraw/zinc/07/30/95/354073095.db2.gz HHZOFFNLNVIKOT-GFCCVEGCSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000419733519 354073671 /nfs/dbraw/zinc/07/36/71/354073671.db2.gz NUOMBJLSQXIFKF-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419740806 354074689 /nfs/dbraw/zinc/07/46/89/354074689.db2.gz YFHLRPSUDKADFD-WCQYABFASA-N 2 0 294.399 -0.402 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419741745 354074826 /nfs/dbraw/zinc/07/48/26/354074826.db2.gz ZKTNNNYEBNTLJJ-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419756690 354074844 /nfs/dbraw/zinc/07/48/44/354074844.db2.gz BFZTYZXUSYDRHX-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419740801 354074860 /nfs/dbraw/zinc/07/48/60/354074860.db2.gz YFFYHSLPLAMDCX-OAHLLOKOSA-N 2 0 296.415 -0.344 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419759139 354074921 /nfs/dbraw/zinc/07/49/21/354074921.db2.gz GETHAGIOSMZHOZ-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419765737 354075830 /nfs/dbraw/zinc/07/58/30/354075830.db2.gz QYRMZSILJNJHAZ-BETUJISGSA-N 2 0 296.415 -0.488 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000419769244 354076241 /nfs/dbraw/zinc/07/62/41/354076241.db2.gz DOUZEBLFFPBBMB-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419780764 354077734 /nfs/dbraw/zinc/07/77/34/354077734.db2.gz MZKWIDJUXVMDSH-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[NH2+]CC1 ZINC000419805043 354079419 /nfs/dbraw/zinc/07/94/19/354079419.db2.gz BVDCQGMDQXBCQX-RYUDHWBXSA-N 2 0 280.372 -0.839 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000419815101 354079549 /nfs/dbraw/zinc/07/95/49/354079549.db2.gz HNJRRIULGPTSKZ-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000419821766 354080464 /nfs/dbraw/zinc/08/04/64/354080464.db2.gz LACNOTOGEROKMO-UPJWGTAASA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000419821762 354080486 /nfs/dbraw/zinc/08/04/86/354080486.db2.gz LACNOTOGEROKMO-FRRDWIJNSA-N 2 0 294.399 -0.450 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000419821055 354080591 /nfs/dbraw/zinc/08/05/91/354080591.db2.gz KRSAFZTVZRQSIB-AGIUHOORSA-N 2 0 296.415 -0.156 20 0 CBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCCC[NH3+] ZINC000419837831 354081973 /nfs/dbraw/zinc/08/19/73/354081973.db2.gz MXKXPJFYZQCEIZ-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000419833509 354082221 /nfs/dbraw/zinc/08/22/21/354082221.db2.gz SPGIUMDZRBNCFU-LBPRGKRZSA-N 2 0 284.404 -0.440 20 0 CBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCCC[NH3+] ZINC000419837832 354082497 /nfs/dbraw/zinc/08/24/97/354082497.db2.gz MXKXPJFYZQCEIZ-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C[NH+]1CCCC1 ZINC000419839947 354082994 /nfs/dbraw/zinc/08/29/94/354082994.db2.gz ZAXFEOSOBWBLEY-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC[NH2+]C ZINC000419842118 354083118 /nfs/dbraw/zinc/08/31/18/354083118.db2.gz HEPSAEJDBCYRGU-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419838555 354083164 /nfs/dbraw/zinc/08/31/64/354083164.db2.gz GBZUBTLSFCONPS-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)C[NH+]1CCCC1 ZINC000419838234 354083445 /nfs/dbraw/zinc/08/34/45/354083445.db2.gz XNMOTWSSNAXGJY-YPMHNXCESA-N 2 0 296.415 -0.312 20 0 CBADRP CCN1C[C@H](C)N(C(=O)C(=O)NCCC[NH2+]C)C[C@H]1C ZINC000419849062 354084843 /nfs/dbraw/zinc/08/48/43/354084843.db2.gz WPVSMGWJUSWCCD-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000419863299 354086152 /nfs/dbraw/zinc/08/61/52/354086152.db2.gz CNPGQAKAMUNXJO-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCC[NH2+]C)C1 ZINC000419862429 354086516 /nfs/dbraw/zinc/08/65/16/354086516.db2.gz BLNODZSJXJBKGF-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCC[NH2+]C ZINC000419861776 354086578 /nfs/dbraw/zinc/08/65/78/354086578.db2.gz AATFPIZKMQOSEA-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)NCC[NH2+]C ZINC000419865452 354086925 /nfs/dbraw/zinc/08/69/25/354086925.db2.gz FQMYFZQEMKISCO-UHFFFAOYSA-N 2 0 258.366 -0.830 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419286437 354044318 /nfs/dbraw/zinc/04/43/18/354044318.db2.gz ONXZNOUHIQFHKY-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000419315450 354046095 /nfs/dbraw/zinc/04/60/95/354046095.db2.gz JWAOFWJGHLCLEH-QJPTWQEYSA-N 2 0 296.415 -0.301 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000419324547 354046711 /nfs/dbraw/zinc/04/67/11/354046711.db2.gz VQNMHJPSWHCBAS-WOPDTQHZSA-N 2 0 296.415 -0.158 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419341157 354046746 /nfs/dbraw/zinc/04/67/46/354046746.db2.gz YAJGTLHPRHORSR-CMPLNLGQSA-N 2 0 294.399 -0.417 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419333156 354046791 /nfs/dbraw/zinc/04/67/91/354046791.db2.gz LKWCSMAVMQFUDA-NTZNESFSSA-N 2 0 294.399 -0.547 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000419324544 354046883 /nfs/dbraw/zinc/04/68/83/354046883.db2.gz VQNMHJPSWHCBAS-GRYCIOLGSA-N 2 0 296.415 -0.158 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419338004 354046972 /nfs/dbraw/zinc/04/69/72/354046972.db2.gz RRFQAWYDHDNRNA-GMXVVIOVSA-N 2 0 294.399 -0.547 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000419341352 354047369 /nfs/dbraw/zinc/04/73/69/354047369.db2.gz YLVLSVPHWYSYLU-YPMHNXCESA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419337935 354047542 /nfs/dbraw/zinc/04/75/42/354047542.db2.gz RMJBHYPPFAPQHO-LOWVWBTDSA-N 2 0 294.399 -0.594 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000419412582 354052331 /nfs/dbraw/zinc/05/23/31/354052331.db2.gz RAJURXKHPVVEJM-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000419412067 354052552 /nfs/dbraw/zinc/05/25/52/354052552.db2.gz QLCZTSSZKDZJTP-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000419411505 354052698 /nfs/dbraw/zinc/05/26/98/354052698.db2.gz PWQFNLNLEIKKGS-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419417095 354053823 /nfs/dbraw/zinc/05/38/23/354053823.db2.gz HTHHQTKOFFUVCO-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000419417647 354053875 /nfs/dbraw/zinc/05/38/75/354053875.db2.gz XKDQVIPLMSBREC-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419519081 354057078 /nfs/dbraw/zinc/05/70/78/354057078.db2.gz FNTKZMJRCKBJOG-QWRGUYRKSA-N 2 0 272.393 -0.314 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419509201 354057254 /nfs/dbraw/zinc/05/72/54/354057254.db2.gz DODHTFQDFQOLKK-QWRGUYRKSA-N 2 0 272.393 -0.456 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419509246 354057412 /nfs/dbraw/zinc/05/74/12/354057412.db2.gz DUZUEKHERFONKV-NWDGAFQWSA-N 2 0 286.420 -0.068 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419521215 354057762 /nfs/dbraw/zinc/05/77/62/354057762.db2.gz JMMXJRAZBGGOMC-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)C1CC1 ZINC000419522649 354057776 /nfs/dbraw/zinc/05/77/76/354057776.db2.gz MYQUMERBLSMCBD-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419526360 354058240 /nfs/dbraw/zinc/05/82/40/354058240.db2.gz SWGQFRIPIMCXKZ-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000419529415 354058493 /nfs/dbraw/zinc/05/84/93/354058493.db2.gz XQHYSKJTLSOJSQ-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)C1CC1 ZINC000419527432 354058537 /nfs/dbraw/zinc/05/85/37/354058537.db2.gz VBDJLYINHRQTJC-NSHDSACASA-N 2 0 282.388 -0.463 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C1CC1 ZINC000419525212 354058598 /nfs/dbraw/zinc/05/85/98/354058598.db2.gz RCZDFQIULFOAQB-GFCCVEGCSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419529437 354058725 /nfs/dbraw/zinc/05/87/25/354058725.db2.gz XTBIXCFVZGZPEH-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419527524 354058824 /nfs/dbraw/zinc/05/88/24/354058824.db2.gz VHYUEULOKORNNV-SNVBAGLBSA-N 2 0 272.393 -0.314 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419525649 354058829 /nfs/dbraw/zinc/05/88/29/354058829.db2.gz RXFLMGFSNBYGOS-PWSUYJOCSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCCC[NH2+]C)C1CC1 ZINC000419526489 354058835 /nfs/dbraw/zinc/05/88/35/354058835.db2.gz TWAGFUQSSFQEMY-UHFFFAOYSA-N 2 0 270.377 -0.687 20 0 CBADRP C[C@@H](NC(=O)C(=O)N[C@@H](C)CC[NH3+])C(C)(C)C[NH+](C)C ZINC000419536614 354059665 /nfs/dbraw/zinc/05/96/65/354059665.db2.gz AXSVKOJQDSNTMS-WDEREUQCSA-N 2 0 286.420 -0.068 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCC[N@@H+]1C ZINC000419541709 354059752 /nfs/dbraw/zinc/05/97/52/354059752.db2.gz DGBOCSHDVORLBW-WOPDTQHZSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)CC[NH2+]1 ZINC000419544336 354060153 /nfs/dbraw/zinc/06/01/53/354060153.db2.gz HLCGVNRNEZOEBJ-SRVKXCTJSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)C(C)(C)C[NH+](C)C ZINC000419544382 354060195 /nfs/dbraw/zinc/06/01/95/354060195.db2.gz LGBLCEAOHHNIJJ-ZYHUDNBSSA-N 2 0 298.431 -0.068 20 0 CBADRP C[C@H]1[C@@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CCC[N@@H+]1C ZINC000419543757 354060241 /nfs/dbraw/zinc/06/02/41/354060241.db2.gz GRLVFJTZQOAHMZ-XQQFMLRXSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000419550497 354060455 /nfs/dbraw/zinc/06/04/55/354060455.db2.gz UUDPMLJWBFVTCQ-GHMZBOCLSA-N 2 0 284.404 -0.443 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000419872320 354087685 /nfs/dbraw/zinc/08/76/85/354087685.db2.gz LHGPEYNVVMNAFD-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000419544801 354060606 /nfs/dbraw/zinc/06/06/06/354060606.db2.gz LNGJZVLZTFHUHJ-GHMZBOCLSA-N 2 0 286.420 -0.210 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000419553299 354060936 /nfs/dbraw/zinc/06/09/36/354060936.db2.gz YMZVNQAUMLEIPH-QWRGUYRKSA-N 2 0 286.420 -0.116 20 0 CBADRP COCC[C@@H](C)S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420448476 354129258 /nfs/dbraw/zinc/12/92/58/354129258.db2.gz DYAKVTBYERLZNL-LLVKDONJSA-N 2 0 281.422 -0.259 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419887073 354089731 /nfs/dbraw/zinc/08/97/31/354089731.db2.gz QCVDVAUMIFPOLK-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000419897895 354091769 /nfs/dbraw/zinc/09/17/69/354091769.db2.gz WMSORNCPVFMGKF-LBPRGKRZSA-N 2 0 284.404 -0.347 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000419919328 354093232 /nfs/dbraw/zinc/09/32/32/354093232.db2.gz LADGBFHGXZEFBP-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)NC[C@H]1CC[N@H+](CCC)C1 ZINC000419911988 354093405 /nfs/dbraw/zinc/09/34/05/354093405.db2.gz VGKWFGDLAVFWFK-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C[C@H]1[NH+](C)C ZINC000419930519 354094397 /nfs/dbraw/zinc/09/43/97/354094397.db2.gz BGTUTNJRQHIGRB-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419940369 354094541 /nfs/dbraw/zinc/09/45/41/354094541.db2.gz KPDCYKNTYDNQDS-NSHDSACASA-N 2 0 272.393 -0.504 20 0 CBADRP CCN1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)C[NH3+])C[C@@H]1C ZINC000419944732 354095306 /nfs/dbraw/zinc/09/53/06/354095306.db2.gz BKBZGFVQOAIVGH-SRVKXCTJSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000419953625 354096567 /nfs/dbraw/zinc/09/65/67/354096567.db2.gz LECPWBXQMQXEMP-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000419964251 354098070 /nfs/dbraw/zinc/09/80/70/354098070.db2.gz XAUFGLMSLYCWCH-NSHDSACASA-N 2 0 270.377 -0.748 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000419970807 354098124 /nfs/dbraw/zinc/09/81/24/354098124.db2.gz CMICMZVWODRWCP-GFCCVEGCSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000419966384 354098176 /nfs/dbraw/zinc/09/81/76/354098176.db2.gz ZQZXQYWRXDMJHP-QWRGUYRKSA-N 2 0 270.377 -0.750 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000419973765 354098880 /nfs/dbraw/zinc/09/88/80/354098880.db2.gz IJEFZKQPHHBIAX-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000419984800 354100255 /nfs/dbraw/zinc/10/02/55/354100255.db2.gz DMCQDEKJKLFCCX-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419981801 354100511 /nfs/dbraw/zinc/10/05/11/354100511.db2.gz APODRCMERDYSPN-NSHDSACASA-N 2 0 272.393 -0.362 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000419998010 354101251 /nfs/dbraw/zinc/10/12/51/354101251.db2.gz MHKIXVSFCBIHMT-VXGBXAGGSA-N 2 0 284.404 -0.362 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000420008494 354102142 /nfs/dbraw/zinc/10/21/42/354102142.db2.gz UMRPXIDBZGKVGI-NSHDSACASA-N 2 0 272.393 -0.312 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000420021008 354103134 /nfs/dbraw/zinc/10/31/34/354103134.db2.gz GRGPEWNTXIFGKK-WOPDTQHZSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])C[NH+]1CCCCC1 ZINC000420032736 354103939 /nfs/dbraw/zinc/10/39/39/354103939.db2.gz UTUMIDWTMMXDPG-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000420026834 354104511 /nfs/dbraw/zinc/10/45/11/354104511.db2.gz JUEBIFWOHHQKDQ-SDDRHHMPSA-N 2 0 284.404 -0.171 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420063332 354106145 /nfs/dbraw/zinc/10/61/45/354106145.db2.gz NDYXPPYZPPCGFA-LBPRGKRZSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000420094902 354108427 /nfs/dbraw/zinc/10/84/27/354108427.db2.gz RNXIXJGSPNMKLU-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420084028 354108606 /nfs/dbraw/zinc/10/86/06/354108606.db2.gz YECWAIALJASFJP-UHFFFAOYSA-N 2 0 286.420 -0.114 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000420107311 354109439 /nfs/dbraw/zinc/10/94/39/354109439.db2.gz ATWBCHGWDMYOHM-AGIUHOORSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C2CCC2)CC1 ZINC000420160662 354115209 /nfs/dbraw/zinc/11/52/09/354115209.db2.gz UYESYWSCCAKBKV-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CN1CCN(C(=O)CC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000420299334 354121866 /nfs/dbraw/zinc/12/18/66/354121866.db2.gz ASOCNCZNIPNTCL-MJBXVCDLSA-N 2 0 280.416 -0.180 20 0 CBADRP COC(=O)CCNC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420322505 354122620 /nfs/dbraw/zinc/12/26/20/354122620.db2.gz WQGUOALLZINGFS-CYBMUJFWSA-N 2 0 297.399 -0.013 20 0 CBADRP COC(=O)CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000420313172 354123240 /nfs/dbraw/zinc/12/32/40/354123240.db2.gz PGSYUYGDGYHTHL-LLVKDONJSA-N 2 0 271.361 -0.131 20 0 CBADRP COC(=O)[C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000420363643 354124986 /nfs/dbraw/zinc/12/49/86/354124986.db2.gz PPTSMGOULFORCT-LBPRGKRZSA-N 2 0 283.372 -0.307 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCCC(=O)N1CC[NH2+]CC1 ZINC000420366285 354125644 /nfs/dbraw/zinc/12/56/44/354125644.db2.gz LZZNXXVSDZIPSS-BZPMIXESSA-N 2 0 268.405 -0.216 20 0 CBADRP C[C@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCN1S(C)(=O)=O ZINC000420369837 354126291 /nfs/dbraw/zinc/12/62/91/354126291.db2.gz JBTGKMUVADGEMK-NWDGAFQWSA-N 2 0 275.418 -0.048 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000423244836 354166021 /nfs/dbraw/zinc/16/60/21/354166021.db2.gz XVICFUXDVJHRHN-NWDGAFQWSA-N 2 0 282.388 -0.641 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000423244838 354166147 /nfs/dbraw/zinc/16/61/47/354166147.db2.gz XVICFUXDVJHRHN-VXGBXAGGSA-N 2 0 282.388 -0.641 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)CC[NH2+]1 ZINC000423299027 354168690 /nfs/dbraw/zinc/16/86/90/354168690.db2.gz BHPUGFCHVIHMRY-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[C@H]1[NH+](C)C ZINC000423354811 354170949 /nfs/dbraw/zinc/17/09/49/354170949.db2.gz OALJMNJEBJUYNS-NWDGAFQWSA-N 2 0 296.415 -0.395 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@@H]1[NH+](C)C ZINC000423355495 354171550 /nfs/dbraw/zinc/17/15/50/354171550.db2.gz PCFJJIJXOWHKEU-TUAOUCFPSA-N 2 0 282.388 -0.655 20 0 CBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423380089 354173400 /nfs/dbraw/zinc/17/34/00/354173400.db2.gz DIVIJBXMXLNCGO-OLZOCXBDSA-N 2 0 296.415 -0.121 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000423394073 354174920 /nfs/dbraw/zinc/17/49/20/354174920.db2.gz ZLAGWKBZVWXQBH-VXGBXAGGSA-N 2 0 255.362 -0.049 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423427322 354175789 /nfs/dbraw/zinc/17/57/89/354175789.db2.gz IQZPPIWQHKYAST-GFCCVEGCSA-N 2 0 284.404 -0.264 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000422044309 354142602 /nfs/dbraw/zinc/14/26/02/354142602.db2.gz XLPBOUBCFYIDJG-ZIAGYGMSSA-N 2 0 280.416 -0.071 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422534787 354148176 /nfs/dbraw/zinc/14/81/76/354148176.db2.gz BNVBCKNYHAQBSH-NMKXLXIOSA-N 2 0 298.431 -0.082 20 0 CBADRP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)C1 ZINC000422541510 354149661 /nfs/dbraw/zinc/14/96/61/354149661.db2.gz LXVVTAFUUQSORZ-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000422970868 354158296 /nfs/dbraw/zinc/15/82/96/354158296.db2.gz HHOFYQXMHVPYMW-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000423058294 354161378 /nfs/dbraw/zinc/16/13/78/354161378.db2.gz JDSQSSDHHODKIM-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)CC[NH3+])C1 ZINC000423064276 354161503 /nfs/dbraw/zinc/16/15/03/354161503.db2.gz YRFKPJSWILDGPW-NSHDSACASA-N 2 0 270.377 -0.654 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC(C)C)C1 ZINC000423058596 354161702 /nfs/dbraw/zinc/16/17/02/354161702.db2.gz CSIYCFJASCWYGR-CYBMUJFWSA-N 2 0 298.431 -0.147 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423066052 354161892 /nfs/dbraw/zinc/16/18/92/354161892.db2.gz VYMUEZXAVWMEPB-CYBMUJFWSA-N 2 0 298.431 -0.018 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)C1 ZINC000423523859 354179055 /nfs/dbraw/zinc/17/90/55/354179055.db2.gz NUOPJLLUKYQBFO-NSHDSACASA-N 2 0 282.388 -0.641 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000423580184 354181514 /nfs/dbraw/zinc/18/15/14/354181514.db2.gz RCPJFZKLJICLGA-GFCCVEGCSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000423586717 354181952 /nfs/dbraw/zinc/18/19/52/354181952.db2.gz DXMRRHRFWHQIBI-STQMWFEESA-N 2 0 296.415 -0.252 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000423607476 354184150 /nfs/dbraw/zinc/18/41/50/354184150.db2.gz MTSQMNKUGZHFGF-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000423645386 354188583 /nfs/dbraw/zinc/18/85/83/354188583.db2.gz RECLNJMUPIJOOS-SWLSCSKDSA-N 2 0 294.399 -0.639 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)[C@@H](C)C[NH2+]1 ZINC000423645562 354188610 /nfs/dbraw/zinc/18/86/10/354188610.db2.gz YVGAMOYITSBSBM-MNOVXSKESA-N 2 0 270.377 -0.785 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000423712307 354192940 /nfs/dbraw/zinc/19/29/40/354192940.db2.gz CXJTUKMVXUOQRB-OLZOCXBDSA-N 2 0 296.415 -0.121 20 0 CBADRP CC1CC[NH+](CC(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000423722132 354193710 /nfs/dbraw/zinc/19/37/10/354193710.db2.gz PHRFTSPNKKALCF-CYBMUJFWSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)C[C@H]1[NH3+] ZINC000423732677 354195163 /nfs/dbraw/zinc/19/51/63/354195163.db2.gz ZNTFJCQTIRHADK-IJLUTSLNSA-N 2 0 282.388 -0.655 20 0 CBADRP COCC[NH2+]CC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000423744023 354196344 /nfs/dbraw/zinc/19/63/44/354196344.db2.gz KTLSEONRASHMTI-ZDUSSCGKSA-N 2 0 287.404 -0.208 20 0 CBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CC[NH2+]1 ZINC000423752758 354197401 /nfs/dbraw/zinc/19/74/01/354197401.db2.gz WFNKWUSOCVYGII-NWDGAFQWSA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@H]1CC[NH2+]1 ZINC000423752760 354197410 /nfs/dbraw/zinc/19/74/10/354197410.db2.gz WFNKWUSOCVYGII-VXGBXAGGSA-N 2 0 255.362 -0.083 20 0 CBADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423781386 354199172 /nfs/dbraw/zinc/19/91/72/354199172.db2.gz XPBOASFJDXVREZ-STQMWFEESA-N 2 0 296.415 -0.347 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423800819 354200360 /nfs/dbraw/zinc/20/03/60/354200360.db2.gz UCWRCCCRSXIVSM-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423839884 354202066 /nfs/dbraw/zinc/20/20/66/354202066.db2.gz DEJSSVWREVSJGK-LBPRGKRZSA-N 2 0 282.388 -0.593 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000423986227 354205972 /nfs/dbraw/zinc/20/59/72/354205972.db2.gz FNJCSTNIBUIRCN-SNVBAGLBSA-N 2 0 264.329 -0.134 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H](C[NH3+])C(C)(C)C)CC1=O ZINC000423954382 354206410 /nfs/dbraw/zinc/20/64/10/354206410.db2.gz MVKZEYWKJRNSTI-RYUDHWBXSA-N 2 0 298.431 -0.114 20 0 CBADRP C[NH2+]CCCN(C)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000424016685 354207020 /nfs/dbraw/zinc/20/70/20/354207020.db2.gz DDGOADSQBHRYAS-GFCCVEGCSA-N 2 0 284.404 -0.536 20 0 CBADRP [NH3+]CCCNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424059464 354208193 /nfs/dbraw/zinc/20/81/93/354208193.db2.gz NFQGNNPXYYBONG-SECBINFHSA-N 2 0 251.334 -0.045 20 0 CBADRP [NH3+][C@H]1Cc2ccccc2N(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000424073775 354208194 /nfs/dbraw/zinc/20/81/94/354208194.db2.gz IKWUUBXGFKXSCN-WCQYABFASA-N 2 0 261.325 -0.109 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424055804 354208239 /nfs/dbraw/zinc/20/82/39/354208239.db2.gz FSHAGZQBHACNBE-MNOVXSKESA-N 2 0 278.360 -0.364 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424073954 354208335 /nfs/dbraw/zinc/20/83/35/354208335.db2.gz GGSGGWADRVLCCT-UWVGGRQHSA-N 2 0 266.349 -0.330 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC(C)(C)CC[NH3+])CC1=O ZINC000424049707 354208383 /nfs/dbraw/zinc/20/83/83/354208383.db2.gz YEFIHOCGICSVGA-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424082226 354209178 /nfs/dbraw/zinc/20/91/78/354209178.db2.gz WJHNITRBDAZBMU-WDEREUQCSA-N 2 0 280.376 -0.084 20 0 CBADRP C[NH+](C)CCCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424140648 354211050 /nfs/dbraw/zinc/21/10/50/354211050.db2.gz SOVUCSYCJFNFKG-NSHDSACASA-N 2 0 280.376 -0.116 20 0 CBADRP [NH3+][C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)C1CC1 ZINC000424151633 354211926 /nfs/dbraw/zinc/21/19/26/354211926.db2.gz IEXBGTOTFQHRIS-GHMZBOCLSA-N 2 0 278.360 -0.330 20 0 CBADRP [NH3+][C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)C1CC1 ZINC000424151635 354212381 /nfs/dbraw/zinc/21/23/81/354212381.db2.gz IEXBGTOTFQHRIS-QWRGUYRKSA-N 2 0 278.360 -0.330 20 0 CBADRP C[C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)[NH+](C)C ZINC000424157185 354212489 /nfs/dbraw/zinc/21/24/89/354212489.db2.gz PNNWGKYQZVBTMG-GHMZBOCLSA-N 2 0 280.376 -0.118 20 0 CBADRP O=C(NC[C@H]1CCNCC1(F)F)[C@H]1COCCN1 ZINC000424166218 354213004 /nfs/dbraw/zinc/21/30/04/354213004.db2.gz GOAJVVHYBRGGDH-RKDXNWHRSA-N 2 0 263.288 -0.664 20 0 CBADRP O=C(NC[C@@H]1CCNCC1(F)F)[C@@H]1COCCN1 ZINC000424166216 354213147 /nfs/dbraw/zinc/21/31/47/354213147.db2.gz GOAJVVHYBRGGDH-IUCAKERBSA-N 2 0 263.288 -0.664 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423522626 354178512 /nfs/dbraw/zinc/17/85/12/354178512.db2.gz XUNYTEDGIQIPIM-VXGBXAGGSA-N 2 0 284.404 -0.409 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCN1CC[NH2+]CC1 ZINC000428639180 354247312 /nfs/dbraw/zinc/24/73/12/354247312.db2.gz DTXXWYOFCDNUQT-CHWSQXEVSA-N 2 0 268.405 -0.119 20 0 CBADRP C[NH2+]CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000435873685 354255366 /nfs/dbraw/zinc/25/53/66/354255366.db2.gz FKVRAFZNCYCBJB-ZDUSSCGKSA-N 3 0 268.405 -0.260 20 0 CBADRP COCCOCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436054822 354255814 /nfs/dbraw/zinc/25/58/14/354255814.db2.gz AGBWBEGDLFTJJF-ZDUSSCGKSA-N 2 0 287.404 -0.031 20 0 CBADRP CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443079634 354259889 /nfs/dbraw/zinc/25/98/89/354259889.db2.gz ZUTZCJJTJJECAK-NSHDSACASA-N 2 0 263.407 -0.014 20 0 CBADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444165303 354262106 /nfs/dbraw/zinc/26/21/06/354262106.db2.gz GLBFCCDAHJOEJL-CYBMUJFWSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2CC[NH2+]2)C[C@H](C)O1 ZINC000444169590 354262387 /nfs/dbraw/zinc/26/23/87/354262387.db2.gz QDYKRBULHSMKIY-GRYCIOLGSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444176841 354263055 /nfs/dbraw/zinc/26/30/55/354263055.db2.gz RHYCRXFALYTCFZ-WCQYABFASA-N 2 0 269.389 -0.101 20 0 CBADRP COC(=O)CN(C)C(=O)CC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424291428 354222954 /nfs/dbraw/zinc/22/29/54/354222954.db2.gz NVMQNAPRONMBCU-GHMZBOCLSA-N 2 0 271.361 -0.133 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000446360384 354286833 /nfs/dbraw/zinc/28/68/33/354286833.db2.gz ROICQMRQQYKBCG-WCQGTBRESA-N 2 0 253.346 -0.426 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000446378305 354287378 /nfs/dbraw/zinc/28/73/78/354287378.db2.gz TWTIWPBBKFZLIY-FRRDWIJNSA-N 2 0 286.395 -0.314 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000446414084 354287640 /nfs/dbraw/zinc/28/76/40/354287640.db2.gz UEFFHZFNIZRPHF-NWDGAFQWSA-N 2 0 273.352 -0.133 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000447442390 354298426 /nfs/dbraw/zinc/29/84/26/354298426.db2.gz QBRFDGIRYRJEJA-KBPBESRZSA-N 2 0 299.415 -0.079 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000447439121 354298500 /nfs/dbraw/zinc/29/85/00/354298500.db2.gz JCUGCKVIBFSHAT-ZDUSSCGKSA-N 2 0 286.420 -0.508 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000447437103 354298528 /nfs/dbraw/zinc/29/85/28/354298528.db2.gz CCPPSVZQXWURNM-STQMWFEESA-N 2 0 286.420 -0.508 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1c[nH+]ccc1N ZINC000444270230 354267301 /nfs/dbraw/zinc/26/73/01/354267301.db2.gz NUCCKLBOCFWCKN-NSHDSACASA-N 2 0 277.372 -0.140 20 0 CBADRP O=C([C@H]1CC[NH2+]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000444264910 354267811 /nfs/dbraw/zinc/26/78/11/354267811.db2.gz DUOAJEFFTDFDJC-GFCCVEGCSA-N 2 0 253.346 -0.329 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000454550585 354356356 /nfs/dbraw/zinc/35/63/56/354356356.db2.gz RFUGINRSXDLLQN-RYUDHWBXSA-N 2 0 272.393 -0.044 20 0 CBADRP O=C(NCCC[NH+]1CCCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000448595395 354315944 /nfs/dbraw/zinc/31/59/44/354315944.db2.gz HLGFWTFLDPAKIM-AWEZNQCLSA-N 2 0 280.416 -0.022 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449526070 354319532 /nfs/dbraw/zinc/31/95/32/354319532.db2.gz YHTMDCLLFYHVNM-NOLJZWGESA-N 2 0 289.379 -0.386 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000449608054 354320562 /nfs/dbraw/zinc/32/05/62/354320562.db2.gz DQPYNCWADZEJTD-MNOVXSKESA-N 2 0 270.377 -0.750 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CC[NH2+]C2(C)C)CC1=O ZINC000449749894 354321794 /nfs/dbraw/zinc/32/17/94/354321794.db2.gz HDTWULNYJYGZGB-NEPJUHHUSA-N 2 0 296.415 -0.347 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000449702939 354321804 /nfs/dbraw/zinc/32/18/04/354321804.db2.gz SRWSVOJNQABCFI-GJZGRUSLSA-N 2 0 288.395 -0.279 20 0 CBADRP C[C@H]1CN(CCO)CCN1C(=O)NCC[N@H+](C)C1CC1 ZINC000458395003 354377201 /nfs/dbraw/zinc/37/72/01/354377201.db2.gz VOGBEXPXTUMPNO-LBPRGKRZSA-N 2 0 284.404 -0.211 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000459902652 354392932 /nfs/dbraw/zinc/39/29/32/354392932.db2.gz WWXRNKOSBLBCIA-UHFFFAOYSA-N 2 0 284.404 -0.439 20 0 CBADRP C[NH+](C)CCOCCNC(=O)NCC[N@H+](C)C1CC1 ZINC000471636864 354401585 /nfs/dbraw/zinc/40/15/85/354401585.db2.gz OTZPMDXKVDYJOP-UHFFFAOYSA-N 2 0 272.393 -0.042 20 0 CBADRP C[C@@H]1[C@H](CO)CC[NH+]1CC(O)C[N@H+]1CC[C@@H](CO)[C@H]1C ZINC000488743437 354426772 /nfs/dbraw/zinc/42/67/72/354426772.db2.gz IGNLASADOKKTGM-MQYQWHSLSA-N 2 0 286.416 -0.247 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)/C=C\C[NH+](C)C ZINC000491909158 354462454 /nfs/dbraw/zinc/46/24/54/354462454.db2.gz WNPHCLYUJRHCTH-CFHLNLSMSA-N 2 0 268.405 -0.144 20 0 CBADRP COC(=O)N(C)CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000492865929 354483308 /nfs/dbraw/zinc/48/33/08/354483308.db2.gz NPCPFGJPHZZTDC-UHFFFAOYSA-N 2 0 288.392 -0.364 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000515058408 354555764 /nfs/dbraw/zinc/55/57/64/354555764.db2.gz RTYUHYRFUAFCIB-AVGNSLFASA-N 2 0 266.389 -0.510 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000515402580 354555799 /nfs/dbraw/zinc/55/57/99/354555799.db2.gz FHIXNQINZWIJQH-OHBODLIOSA-N 2 0 250.346 -0.260 20 0 CBADRP CN1CCN(C(=O)C2CC[NH+](C3CC3)CC2)[C@H](C[NH3+])C1 ZINC000515381534 354555833 /nfs/dbraw/zinc/55/58/33/354555833.db2.gz SGMRYLMEOWLXAC-CQSZACIVSA-N 2 0 280.416 -0.038 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000515523112 354556072 /nfs/dbraw/zinc/55/60/72/354556072.db2.gz OFXMTXKBSIXWGH-GRYCIOLGSA-N 2 0 269.393 -0.731 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000519531882 354561933 /nfs/dbraw/zinc/56/19/33/354561933.db2.gz JYBAZBKCWZMVNT-AAEUAGOBSA-N 2 0 296.415 -0.299 20 0 CBADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CC[NH2+]CC1 ZINC000519601340 354564332 /nfs/dbraw/zinc/56/43/32/354564332.db2.gz WIOHRRBCLLWJBV-LBPRGKRZSA-N 2 0 263.345 -0.147 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000520565586 354568542 /nfs/dbraw/zinc/56/85/42/354568542.db2.gz OJMWGNUPJNOIQX-LBPRGKRZSA-N 2 0 284.404 -0.264 20 0 CBADRP CCOCC[C@H](O)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000520568612 354568545 /nfs/dbraw/zinc/56/85/45/354568545.db2.gz AGTVKZVGTBHZGU-KBPBESRZSA-N 2 0 273.421 -0.001 20 0 CBADRP CCOCC[C@@H](O)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000520568615 354568695 /nfs/dbraw/zinc/56/86/95/354568695.db2.gz AGTVKZVGTBHZGU-ZIAGYGMSSA-N 2 0 273.421 -0.001 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529308979 354583986 /nfs/dbraw/zinc/58/39/86/354583986.db2.gz XIIWPVRNHUKBCT-OLZOCXBDSA-N 2 0 295.431 -0.184 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529320569 354584965 /nfs/dbraw/zinc/58/49/65/354584965.db2.gz YNEUFSYVELSWBW-NQBHXWOUSA-N 2 0 282.388 -0.243 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@@H]3COCC[NH2+]3)C[C@@H]21 ZINC000529390167 354586147 /nfs/dbraw/zinc/58/61/47/354586147.db2.gz SZXZFFCQKBGFBQ-FVCCEPFGSA-N 2 0 282.388 -0.256 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)[NH+]1CCCC1 ZINC000534268718 354596379 /nfs/dbraw/zinc/59/63/79/354596379.db2.gz UJRIBIUTYPJBIJ-UONOGXRCSA-N 2 0 280.416 -0.023 20 0 CBADRP C[C@@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+](C)C1CC1 ZINC000546590835 354653453 /nfs/dbraw/zinc/65/34/53/354653453.db2.gz NUORUXPOCVSKGU-SMDDNHRTSA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000562812675 354687978 /nfs/dbraw/zinc/68/79/78/354687978.db2.gz NECOKDWYHWMLKE-ZDUSSCGKSA-N 2 0 283.420 -0.373 20 0 CBADRP COC[C@@]1(CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])CCC[NH2+]1 ZINC000562815800 354688247 /nfs/dbraw/zinc/68/82/47/354688247.db2.gz BFHSNTYVUDCHCD-JSGCOSHPSA-N 2 0 299.419 -0.961 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000562800017 354688338 /nfs/dbraw/zinc/68/83/38/354688338.db2.gz DNYYIHODRZSHEE-WUHRBBMRSA-N 2 0 282.388 -0.386 20 0 CBADRP C[C@H](O)C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000563007744 354691874 /nfs/dbraw/zinc/69/18/74/354691874.db2.gz MRPCCHWALQJRHP-ZDUSSCGKSA-N 2 0 271.405 -0.247 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)COC2C[NH2+]C2)C1 ZINC000563063285 354693870 /nfs/dbraw/zinc/69/38/70/354693870.db2.gz WCFFRHFRRJORQC-NSHDSACASA-N 2 0 255.362 -0.179 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3COCC[NH2+]3)[C@@H]2C1 ZINC000563085683 354695110 /nfs/dbraw/zinc/69/51/10/354695110.db2.gz WQEKWNCQMATYOS-FRRDWIJNSA-N 2 0 267.373 -0.083 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000563101451 354696728 /nfs/dbraw/zinc/69/67/28/354696728.db2.gz IDWJKRMEZWRBBX-MNOVXSKESA-N 2 0 270.377 -0.784 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000563153899 354699450 /nfs/dbraw/zinc/69/94/50/354699450.db2.gz GGZOVGMYESTJOR-WDEREUQCSA-N 2 0 255.362 -0.062 20 0 CBADRP O=C(CCN1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CC[NH2+]CC1 ZINC000563150064 354700188 /nfs/dbraw/zinc/70/01/88/354700188.db2.gz XUJKQVBOCLJHOU-OLZOCXBDSA-N 2 0 266.389 -0.650 20 0 CBADRP CN(C)C(=O)NCC[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000563154086 354700220 /nfs/dbraw/zinc/70/02/20/354700220.db2.gz JMXZTJDTJBCVGF-UHFFFAOYSA-N 2 0 285.392 -0.989 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2C[NH2+]CCCO2)CCC[NH2+]C1 ZINC000563162879 354701139 /nfs/dbraw/zinc/70/11/39/354701139.db2.gz OZEJOFNNZBNCRE-YPMHNXCESA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000563887868 354707008 /nfs/dbraw/zinc/70/70/08/354707008.db2.gz DBRJGTZKWRALLR-UTUOFQBUSA-N 2 0 254.378 -0.524 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000563887867 354707283 /nfs/dbraw/zinc/70/72/83/354707283.db2.gz DBRJGTZKWRALLR-SDDRHHMPSA-N 2 0 254.378 -0.524 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000563956368 354707765 /nfs/dbraw/zinc/70/77/65/354707765.db2.gz NXDRDWNCZSMAPE-KGLIPLIRSA-N 2 0 296.415 -0.739 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000563956370 354707932 /nfs/dbraw/zinc/70/79/32/354707932.db2.gz NXDRDWNCZSMAPE-ZIAGYGMSSA-N 2 0 296.415 -0.739 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000563899630 354708264 /nfs/dbraw/zinc/70/82/64/354708264.db2.gz FAGXPKQZIOXZJA-STQMWFEESA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@]1(F)C[NH2+]CCN(C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000564453416 354713036 /nfs/dbraw/zinc/71/30/36/354713036.db2.gz NFOTXZIWXKNCOP-OCCSQVGLSA-N 2 0 286.395 -0.183 20 0 CBADRP C[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)[C@@H]2C1 ZINC000564571367 354713567 /nfs/dbraw/zinc/71/35/67/354713567.db2.gz YAOVVTPAGJSUKL-LPWJVIDDSA-N 2 0 283.372 -0.576 20 0 CBADRP C[C@@H]([NH3+])C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000564656623 354714643 /nfs/dbraw/zinc/71/46/43/354714643.db2.gz VHLDVRQFDXDBPH-VOMCLLRMSA-N 2 0 254.378 -0.334 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000564658243 354714748 /nfs/dbraw/zinc/71/47/48/354714748.db2.gz CAVHXVYXBOOXNK-RYUDHWBXSA-N 2 0 254.378 -0.428 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565237038 354733618 /nfs/dbraw/zinc/73/36/18/354733618.db2.gz AZJAAOWGCPLULJ-QWRGUYRKSA-N 2 0 268.361 -0.901 20 0 CBADRP C[C@H](C[NH3+])NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000564950353 354722075 /nfs/dbraw/zinc/72/20/75/354722075.db2.gz SMZZHJRFDQLRGC-BSTOTGJRSA-N 2 0 255.362 -0.018 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000564948711 354722248 /nfs/dbraw/zinc/72/22/48/354722248.db2.gz IRLKCOUIPSCJNB-UWVGGRQHSA-N 2 0 256.350 -0.820 20 0 CBADRP C[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000564989358 354724946 /nfs/dbraw/zinc/72/49/46/354724946.db2.gz MUISKBCAAAGCNT-RYUDHWBXSA-N 3 0 254.378 -0.523 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000565040797 354726351 /nfs/dbraw/zinc/72/63/51/354726351.db2.gz XVWFWDALVORDQE-STQMWFEESA-N 2 0 296.415 -0.297 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CCN2C1=O ZINC000565240439 354734339 /nfs/dbraw/zinc/73/43/39/354734339.db2.gz WSNCHCDRXWKFML-SDDRHHMPSA-N 3 0 252.362 -0.770 20 0 CBADRP Cn1ncc2c1C[C@H](C(=O)N1CCN(C)C[C@H]1C[NH3+])CC2 ZINC000565891585 354747896 /nfs/dbraw/zinc/74/78/96/354747896.db2.gz SGCNNWVNDFHVPH-DGCLKSJQSA-N 2 0 291.399 -0.374 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000566017420 354750514 /nfs/dbraw/zinc/75/05/14/354750514.db2.gz VJXLIFQUXFBIFZ-VXGBXAGGSA-N 3 0 254.378 -0.380 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000566017419 354750625 /nfs/dbraw/zinc/75/06/25/354750625.db2.gz VJXLIFQUXFBIFZ-RYUDHWBXSA-N 3 0 254.378 -0.380 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000566102014 354753038 /nfs/dbraw/zinc/75/30/38/354753038.db2.gz FOWDXQKGTQIVBE-NXEZZACHSA-N 2 0 296.337 -0.206 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]([NH3+])C1CCC1)N1CC[NH+](C)CC1 ZINC000566177639 354755398 /nfs/dbraw/zinc/75/53/98/354755398.db2.gz LDRSKGVSGKLPLF-AAEUAGOBSA-N 2 0 268.405 -0.134 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)nn1 ZINC000566213614 354757714 /nfs/dbraw/zinc/75/77/14/354757714.db2.gz YFMJZUGPZPQSFC-SECBINFHSA-N 2 0 288.302 -0.646 20 0 CBADRP C[C@@H]1CN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC[NH2+]1 ZINC000566230349 354758041 /nfs/dbraw/zinc/75/80/41/354758041.db2.gz HKUHWRCKJCNLGX-NEPJUHHUSA-N 2 0 254.378 -0.523 20 0 CBADRP [NH3+]C[C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000566244669 354759328 /nfs/dbraw/zinc/75/93/28/354759328.db2.gz OSWTYHNXNXURKD-GFCCVEGCSA-N 3 0 254.378 -0.521 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000566248911 354759892 /nfs/dbraw/zinc/75/98/92/354759892.db2.gz MDYNUXGHXQHYGS-GXTWGEPZSA-N 2 0 284.404 -0.408 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000566511031 354769771 /nfs/dbraw/zinc/76/97/71/354769771.db2.gz GZFXFWUWQVHGEE-GFCCVEGCSA-N 2 0 284.404 -0.358 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000566511614 354769951 /nfs/dbraw/zinc/76/99/51/354769951.db2.gz WTONFCMSXDFDTO-JBLDHEPKSA-N 2 0 280.372 -0.937 20 0 CBADRP CC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000566510703 354770115 /nfs/dbraw/zinc/77/01/15/354770115.db2.gz AMXXNLOCIFVNQJ-LBPRGKRZSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000566621561 354771807 /nfs/dbraw/zinc/77/18/07/354771807.db2.gz GSQGPLGSJTZPNL-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)CCN1CC[NH+](CC)CC1 ZINC000566916891 354777015 /nfs/dbraw/zinc/77/70/15/354777015.db2.gz CYNQAZWPSZVPSA-LBPRGKRZSA-N 2 0 256.394 -0.133 20 0 CBADRP CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000566915138 354777250 /nfs/dbraw/zinc/77/72/50/354777250.db2.gz TZLKOBGIHPMFCW-BZPMIXESSA-N 2 0 296.415 -0.123 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]C1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000566972602 354777850 /nfs/dbraw/zinc/77/78/50/354777850.db2.gz MDQJIZTVEUACMS-RYUDHWBXSA-N 2 0 292.387 -0.241 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000567111505 354781118 /nfs/dbraw/zinc/78/11/18/354781118.db2.gz CAKBVNUJMLUZHS-WOPDTQHZSA-N 2 0 283.372 -0.181 20 0 CBADRP C[NH2+][C@@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)c1cnn(C)c1 ZINC000567232976 354783355 /nfs/dbraw/zinc/78/33/55/354783355.db2.gz SHNXOKSPWJDRLE-JFGNBEQYSA-N 2 0 265.361 -0.111 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000567262423 354783991 /nfs/dbraw/zinc/78/39/91/354783991.db2.gz OAOXPKWFCHJEGB-LSDHHAIUSA-N 2 0 286.464 -0.085 20 0 CBADRP C[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]C1 ZINC000567267809 354785093 /nfs/dbraw/zinc/78/50/93/354785093.db2.gz QCRGFHOKFILCFQ-QJPTWQEYSA-N 2 0 255.362 -0.131 20 0 CBADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565372381 354736857 /nfs/dbraw/zinc/73/68/57/354736857.db2.gz NYRUFJSQIDBOBQ-KXUCPTDWSA-N 2 0 268.361 -0.870 20 0 CBADRP C[C@H]1CN(CCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CCO1 ZINC000565424009 354738013 /nfs/dbraw/zinc/73/80/13/354738013.db2.gz VFYXSXVSSXWLTQ-TUAOUCFPSA-N 2 0 271.361 -0.670 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000565412434 354738237 /nfs/dbraw/zinc/73/82/37/354738237.db2.gz KTWAKDLBBBFEEI-ZIAGYGMSSA-N 2 0 295.431 -0.230 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)COC1CC[NH2+]CC1 ZINC000565477722 354738875 /nfs/dbraw/zinc/73/88/75/354738875.db2.gz POZPJGUHSAAFSB-CYBMUJFWSA-N 2 0 299.415 -0.018 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000565471034 354739002 /nfs/dbraw/zinc/73/90/02/354739002.db2.gz JBKUQURKGFSBLH-GFCCVEGCSA-N 2 0 271.409 -0.341 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)NCCN1CC[NH2+]CC1 ZINC000565529319 354739880 /nfs/dbraw/zinc/73/98/80/354739880.db2.gz LAWYTVDFOUSOQS-UHFFFAOYSA-N 2 0 271.409 -0.421 20 0 CBADRP C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])C(C)(C)C[NH+](C)C ZINC000565547822 354740526 /nfs/dbraw/zinc/74/05/26/354740526.db2.gz CZDKNMPMIHAKAV-LLVKDONJSA-N 2 0 286.420 -0.114 20 0 CBADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)[NH3+])C2)CC1 ZINC000567818136 354798981 /nfs/dbraw/zinc/79/89/81/354798981.db2.gz ATGZVFROEIBLQX-OLZOCXBDSA-N 2 0 268.405 -0.040 20 0 CBADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)[NH3+])C2)CC1 ZINC000567818138 354798986 /nfs/dbraw/zinc/79/89/86/354798986.db2.gz ATGZVFROEIBLQX-STQMWFEESA-N 2 0 268.405 -0.040 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000567880064 354802670 /nfs/dbraw/zinc/80/26/70/354802670.db2.gz AYQXOECRBOQTDD-FIQHERPVSA-N 2 0 284.404 -0.173 20 0 CBADRP C[N@H+](C[C@@H](O)CN[C@@H](CO)C[NH+]1CCCC1)C1CC1 ZINC000567874437 354802693 /nfs/dbraw/zinc/80/26/93/354802693.db2.gz NQLGCIYXCDVRNL-OCCSQVGLSA-N 2 0 271.405 -0.512 20 0 CBADRP O=C(CNC(=O)[C@H]1CCCCC[NH2+]1)N1CC[NH2+]CC1 ZINC000567884733 354803397 /nfs/dbraw/zinc/80/33/97/354803397.db2.gz JVHXQAVSGMUIEK-LLVKDONJSA-N 2 0 268.361 -0.933 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000567900025 354803958 /nfs/dbraw/zinc/80/39/58/354803958.db2.gz HRXVSHVKDYVLNP-LOWVWBTDSA-N 2 0 284.404 -0.280 20 0 CBADRP CC(C)(C[NH3+])C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000567897514 354804277 /nfs/dbraw/zinc/80/42/77/354804277.db2.gz AHCQNTFZCSYPKN-LBPRGKRZSA-N 2 0 296.415 -0.358 20 0 CBADRP C[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)[C@@H]2C1 ZINC000567909846 354805019 /nfs/dbraw/zinc/80/50/19/354805019.db2.gz WUEUIRNSNHQPCT-IRCOFANPSA-N 2 0 271.336 -0.382 20 0 CBADRP C[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)[C@H]2C1 ZINC000567909849 354805223 /nfs/dbraw/zinc/80/52/23/354805223.db2.gz WUEUIRNSNHQPCT-WHOHXGKFSA-N 2 0 271.336 -0.382 20 0 CBADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)[C@@H]2C1 ZINC000567909847 354805492 /nfs/dbraw/zinc/80/54/92/354805492.db2.gz WUEUIRNSNHQPCT-QCNOEVLYSA-N 2 0 271.336 -0.382 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000567910633 354805515 /nfs/dbraw/zinc/80/55/15/354805515.db2.gz AKYMSKJUSAWZKU-AAEUAGOBSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@H](NC(=O)CCOC1C[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000568076354 354809650 /nfs/dbraw/zinc/80/96/50/354809650.db2.gz GCHLPUGHJITBHF-WDEREUQCSA-N 2 0 255.362 -0.131 20 0 CBADRP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(=O)n(C)c1=O ZINC000568268958 354819460 /nfs/dbraw/zinc/81/94/60/354819460.db2.gz QLAHIBPZBVEIBE-HNNXBMFYSA-N 2 0 292.383 -0.341 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000568292730 354820080 /nfs/dbraw/zinc/82/00/80/354820080.db2.gz ULUICGXZCKTQMZ-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP COC[C@]1(CNC(=O)C[C@@H]2CSCC[NH2+]2)CCC[NH2+]1 ZINC000568381337 354822538 /nfs/dbraw/zinc/82/25/38/354822538.db2.gz HNAFQRLNVFUECJ-DGCLKSJQSA-N 2 0 287.429 -0.034 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000568388456 354822807 /nfs/dbraw/zinc/82/28/07/354822807.db2.gz YVWJCLAOIJZOTN-STQMWFEESA-N 2 0 266.389 -0.365 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000568382217 354822845 /nfs/dbraw/zinc/82/28/45/354822845.db2.gz SNDXELWQXBKFIE-PJSNJIKXSA-N 2 0 267.373 -0.051 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000568527153 354826281 /nfs/dbraw/zinc/82/62/81/354826281.db2.gz QKCZNADIXDXYKV-QWRGUYRKSA-N 2 0 271.361 -0.181 20 0 CBADRP [NH3+]C[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)C1CCCC1 ZINC000568620378 354827109 /nfs/dbraw/zinc/82/71/09/354827109.db2.gz YUXCCLCMFCKUNJ-NEPJUHHUSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000568750016 354830679 /nfs/dbraw/zinc/83/06/79/354830679.db2.gz RNHXUNLXXQPTME-HZSPNIEDSA-N 3 0 280.416 -0.275 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C1([NH3+])CCC1 ZINC000568877433 354834263 /nfs/dbraw/zinc/83/42/63/354834263.db2.gz GJCWBDNZVLSXIE-LLVKDONJSA-N 2 0 254.378 -0.380 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000567716808 354794726 /nfs/dbraw/zinc/79/47/26/354794726.db2.gz HBTJKEMRPIVKOK-NSHDSACASA-N 2 0 268.361 -0.983 20 0 CBADRP C[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000567711014 354794781 /nfs/dbraw/zinc/79/47/81/354794781.db2.gz XNYPIWFSLKGQPA-DZGCQCFKSA-N 2 0 283.416 -0.081 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC[C@H]3CCCO3)CCN2C1=O ZINC000568782807 354832827 /nfs/dbraw/zinc/83/28/27/354832827.db2.gz FFUMFAWWNLWTIM-IJLUTSLNSA-N 2 0 253.346 -0.201 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000567765524 354796509 /nfs/dbraw/zinc/79/65/09/354796509.db2.gz ZEYPWXIBHJJEDF-AVGNSLFASA-N 2 0 296.415 -0.312 20 0 CBADRP CC(C)[C@@H](CO)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000570682876 354866881 /nfs/dbraw/zinc/86/68/81/354866881.db2.gz CKAQJVKUUCGUOB-KGLIPLIRSA-N 2 0 273.421 -0.551 20 0 CBADRP CC(C)[C@@H](CO)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000570682878 354866907 /nfs/dbraw/zinc/86/69/07/354866907.db2.gz CKAQJVKUUCGUOB-ZIAGYGMSSA-N 2 0 273.421 -0.551 20 0 CBADRP CCC(CC)[C@H](O)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000570721384 354867794 /nfs/dbraw/zinc/86/77/94/354867794.db2.gz XLLLFYSRCWNDTI-LSDHHAIUSA-N 2 0 287.448 -0.019 20 0 CBADRP C[C@@H](C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[C@H](C)[NH3+] ZINC000571755028 354879355 /nfs/dbraw/zinc/87/93/55/354879355.db2.gz JPMRCYTVYRLFMX-GRYCIOLGSA-N 2 0 284.404 -0.184 20 0 CBADRP O=C(N1CC[C@@H](C[NH+]2CCOCC2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000570724556 354868607 /nfs/dbraw/zinc/86/86/07/354868607.db2.gz DXULIMBOOGLQCK-GUTXKFCHSA-N 2 0 279.384 -0.081 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000570827252 354870600 /nfs/dbraw/zinc/87/06/00/354870600.db2.gz NECUSVYBHPXDDV-STQMWFEESA-N 2 0 296.415 -0.217 20 0 CBADRP O=C(COC1C[NH2+]C1)NCCC[NH2+]Cc1cccnc1 ZINC000570961880 354873958 /nfs/dbraw/zinc/87/39/58/354873958.db2.gz CDXVPBBOCPWASW-UHFFFAOYSA-N 2 0 278.356 -0.334 20 0 CBADRP CC[N@H+](CCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000571059729 354875763 /nfs/dbraw/zinc/87/57/63/354875763.db2.gz SQSRHSAPJQKUAO-GDNZZTSVSA-N 2 0 252.362 -0.012 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@]2(COC)CC[NH2+]C2)C1 ZINC000571044899 354876060 /nfs/dbraw/zinc/87/60/60/354876060.db2.gz KZEIMXPODDWPQZ-WCQYABFASA-N 2 0 255.362 -0.320 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000569220643 354840278 /nfs/dbraw/zinc/84/02/78/354840278.db2.gz ZXOYXZPMZKYADU-MXWKQRLJSA-N 2 0 271.361 -0.147 20 0 CBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000569710289 354844315 /nfs/dbraw/zinc/84/43/15/354844315.db2.gz KJGPRMYUNWWKPY-LBPRGKRZSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H](CNC(=O)C1(C)C[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000569808329 354846338 /nfs/dbraw/zinc/84/63/38/354846338.db2.gz ZIIOSUDTLRVDGW-LBPRGKRZSA-N 2 0 268.405 -0.404 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000569821681 354847360 /nfs/dbraw/zinc/84/73/60/354847360.db2.gz IHQZEVWIQLQANE-AAXDQBDMSA-N 2 0 284.404 -0.411 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC[C@H]1CC[NH2+]C1 ZINC000569925814 354849701 /nfs/dbraw/zinc/84/97/01/354849701.db2.gz XXTQTMQMIKZSAR-VXGBXAGGSA-N 2 0 282.388 -0.640 20 0 CBADRP CCOC[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000569960521 354850678 /nfs/dbraw/zinc/85/06/78/354850678.db2.gz KQPQTRHSJJFPGF-OLZOCXBDSA-N 2 0 287.404 -0.439 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000569967543 354851720 /nfs/dbraw/zinc/85/17/20/354851720.db2.gz UGPXHNUOUBKZGT-VXGBXAGGSA-N 2 0 255.362 -0.225 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000570106278 354855000 /nfs/dbraw/zinc/85/50/00/354855000.db2.gz BERGDUCHXMNPJL-RYUDHWBXSA-N 2 0 280.372 -0.839 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000570098917 354855010 /nfs/dbraw/zinc/85/50/10/354855010.db2.gz ZBIJTJFQNUZKAC-CYBMUJFWSA-N 2 0 284.404 -0.881 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000570329677 354859485 /nfs/dbraw/zinc/85/94/85/354859485.db2.gz DUNIOMJGIYFWNF-WDEREUQCSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)CCOC2C[NH2+]C2)C1 ZINC000570520430 354864023 /nfs/dbraw/zinc/86/40/23/354864023.db2.gz XNCVFPKRSGOOEQ-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP CN1CCN(C(=O)CC[C@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000570568704 354864793 /nfs/dbraw/zinc/86/47/93/354864793.db2.gz DWTTZWXEWQXIGO-RYUDHWBXSA-N 2 0 254.378 -0.523 20 0 CBADRP C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000570630574 354865722 /nfs/dbraw/zinc/86/57/22/354865722.db2.gz BSRXFFKAPPIFTQ-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000570631384 354866072 /nfs/dbraw/zinc/86/60/72/354866072.db2.gz UXMVXCPTDQTGHB-MNOVXSKESA-N 2 0 268.361 -0.935 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000572347026 354891622 /nfs/dbraw/zinc/89/16/22/354891622.db2.gz PJZQAOBAAWISGX-SRVKXCTJSA-N 2 0 254.378 -0.524 20 0 CBADRP C[C@@H]1C[C@H](C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC[NH2+]1 ZINC000572498228 354893088 /nfs/dbraw/zinc/89/30/88/354893088.db2.gz MJWSVLXZXXXQBK-NDBYEHHHSA-N 3 0 266.389 -0.382 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]([NH3+])C1CCC1 ZINC000572515150 354893623 /nfs/dbraw/zinc/89/36/23/354893623.db2.gz ODNYMBRDNHNKDD-GFCCVEGCSA-N 2 0 268.361 -0.996 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000572736050 354897050 /nfs/dbraw/zinc/89/70/50/354897050.db2.gz IORUWRVNXCEJRE-YVECIDJPSA-N 2 0 294.399 -0.370 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])nn1 ZINC000572833888 354899159 /nfs/dbraw/zinc/89/91/59/354899159.db2.gz QDARXWLETUWTFD-MNOVXSKESA-N 2 0 280.376 -0.126 20 0 CBADRP C[N@@H+]1CC[C@H]2OCCN(C(=O)[C@]34C[C@H]3CC[NH2+]4)[C@H]2C1 ZINC000572869821 354900292 /nfs/dbraw/zinc/90/02/92/354900292.db2.gz RYSOGESUJZRILB-CZXHOFHRSA-N 2 0 265.357 -0.330 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000572999718 354903077 /nfs/dbraw/zinc/90/30/77/354903077.db2.gz WECBNVDOIHSAEP-QJPTWQEYSA-N 2 0 282.388 -0.560 20 0 CBADRP O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000573075195 354904094 /nfs/dbraw/zinc/90/40/94/354904094.db2.gz NDOFPTVPUAOSIZ-STQMWFEESA-N 2 0 294.399 -0.449 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000573108245 354904940 /nfs/dbraw/zinc/90/49/40/354904940.db2.gz XFZRXLMKHMTAED-CHWSQXEVSA-N 2 0 294.399 -0.367 20 0 CBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000573189984 354906606 /nfs/dbraw/zinc/90/66/06/354906606.db2.gz MYBACZBQFPENKM-UONOGXRCSA-N 2 0 297.447 -0.079 20 0 CBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000573189982 354906916 /nfs/dbraw/zinc/90/69/16/354906916.db2.gz MYBACZBQFPENKM-KBPBESRZSA-N 2 0 297.447 -0.079 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000573218820 354908431 /nfs/dbraw/zinc/90/84/31/354908431.db2.gz PWLKDMBPSHFVBC-SRVKXCTJSA-N 2 0 255.362 -0.539 20 0 CBADRP COC(=O)c1cc(CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c[nH]1 ZINC000573266585 354909363 /nfs/dbraw/zinc/90/93/63/354909363.db2.gz GFSZTEBAVYIKLK-WDEREUQCSA-N 2 0 292.339 -0.455 20 0 CBADRP CCS(=O)(=O)NCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000573370901 354911001 /nfs/dbraw/zinc/91/10/01/354911001.db2.gz POSWBTJFANFBQO-TXEJJXNPSA-N 2 0 275.418 -0.143 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000573507450 354915485 /nfs/dbraw/zinc/91/54/85/354915485.db2.gz YRVBNFHBNCKCKP-SDDRHHMPSA-N 2 0 280.372 -0.793 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000573596200 354915976 /nfs/dbraw/zinc/91/59/76/354915976.db2.gz KAMMLEHOUAVCDZ-CHWSQXEVSA-N 2 0 271.405 -0.248 20 0 CBADRP NC(=O)NC(=O)CC[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000571790266 354880303 /nfs/dbraw/zinc/88/03/03/354880303.db2.gz FVODIYHALKTDOT-SECBINFHSA-N 2 0 254.334 -0.355 20 0 CBADRP C[C@H]([NH3+])CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000571801972 354881614 /nfs/dbraw/zinc/88/16/14/354881614.db2.gz BEAVUMFLDQGBOD-XQQFMLRXSA-N 3 0 268.405 -0.086 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000573962481 354924789 /nfs/dbraw/zinc/92/47/89/354924789.db2.gz BHPCFKAIZBXRJJ-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP COC[C@]1(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC[NH2+]C1 ZINC000575915693 354937800 /nfs/dbraw/zinc/93/78/00/354937800.db2.gz LCVQIAAIZBNZLW-WZRBSPASSA-N 2 0 255.362 -0.192 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577621387 354938376 /nfs/dbraw/zinc/93/83/76/354938376.db2.gz ARIRHVQDMUXMFW-CQSZACIVSA-N 2 0 267.373 -0.033 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000578130613 354939063 /nfs/dbraw/zinc/93/90/63/354939063.db2.gz SUQYPMVKEHGUBF-NEPJUHHUSA-N 2 0 254.378 -0.380 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000578126931 354939183 /nfs/dbraw/zinc/93/91/83/354939183.db2.gz HXWXVQSDBLMICP-DGCLKSJQSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]C1CCC(OCC(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000578235712 354942299 /nfs/dbraw/zinc/94/22/99/354942299.db2.gz SNYJBJOUXCUETQ-UHFFFAOYSA-N 2 0 298.431 -0.316 20 0 CBADRP COc1cc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)ccn1 ZINC000578350079 354944051 /nfs/dbraw/zinc/94/40/51/354944051.db2.gz DHWAUVXNEKDMTF-CQSZACIVSA-N 2 0 294.399 -0.212 20 0 CBADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1cscn1 ZINC000578443086 354946136 /nfs/dbraw/zinc/94/61/36/354946136.db2.gz VHTSBOPVTBODME-UHFFFAOYSA-N 2 0 278.403 -0.169 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCC[C@@H]1CCC[NH2+]1 ZINC000578625701 354949782 /nfs/dbraw/zinc/94/97/82/354949782.db2.gz GPLFZELVDFTWAP-QWHCGFSZSA-N 2 0 296.415 -0.107 20 0 CBADRP O=C(NC[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1)[C@H]1CCC[NH2+]1 ZINC000578770317 354954461 /nfs/dbraw/zinc/95/44/61/354954461.db2.gz PLAKQIFFFYOSNP-XQQFMLRXSA-N 2 0 294.399 -0.545 20 0 CBADRP CC[C@@H]([NH3+])C(=O)NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000578893983 354958477 /nfs/dbraw/zinc/95/84/77/354958477.db2.gz IPGDXLJCMXQKCP-VXGBXAGGSA-N 2 0 256.394 -0.134 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CC2(C[NH3+])CC2)C1 ZINC000579118869 354962778 /nfs/dbraw/zinc/96/27/78/354962778.db2.gz XYEACSSZIZFDMQ-GFCCVEGCSA-N 2 0 296.415 -0.181 20 0 CBADRP CCC[NH2+]CCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000579212155 354963929 /nfs/dbraw/zinc/96/39/29/354963929.db2.gz CSAIOHFSAJPLLG-NSHDSACASA-N 2 0 257.382 -0.730 20 0 CBADRP CC(C)CN(C(=O)CNC(=O)C[NH3+])C1CC[NH+](C)CC1 ZINC000579242695 354966121 /nfs/dbraw/zinc/96/61/21/354966121.db2.gz IQJCDFQBODJRTJ-UHFFFAOYSA-N 2 0 284.404 -0.360 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000579256942 354967495 /nfs/dbraw/zinc/96/74/95/354967495.db2.gz LAJHSSSIZJKWAB-OCCSQVGLSA-N 2 0 267.373 -0.347 20 0 CBADRP C[C@@H]1CCN(C(=O)c2cn(CCC[NH3+])nn2)C[C@@H]1C[NH3+] ZINC000579353271 354968188 /nfs/dbraw/zinc/96/81/88/354968188.db2.gz WWKMSWGGMTYSRV-MNOVXSKESA-N 2 0 280.376 -0.316 20 0 CBADRP CN(C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C1CC([NH3+])C1 ZINC000579352654 354968204 /nfs/dbraw/zinc/96/82/04/354968204.db2.gz HACRQWJKEAHLPV-HSOILSAZSA-N 2 0 278.360 -0.408 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000579735292 354979050 /nfs/dbraw/zinc/97/90/50/354979050.db2.gz ZXJHQGZXUVYDSV-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP CN1CCN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)[C@H](C[NH3+])C1 ZINC000580053723 354985945 /nfs/dbraw/zinc/98/59/45/354985945.db2.gz JYKYIZMXVKKGLF-CMPLNLGQSA-N 2 0 295.387 -0.966 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000580074885 354986856 /nfs/dbraw/zinc/98/68/56/354986856.db2.gz MCBIVXFQZSZIIE-GFCCVEGCSA-N 2 0 277.372 -0.218 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000580312531 354992462 /nfs/dbraw/zinc/99/24/62/354992462.db2.gz WBOHTBDCEMNMOS-PWSUYJOCSA-N 2 0 270.377 -0.798 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000580304608 354992789 /nfs/dbraw/zinc/99/27/89/354992789.db2.gz NQOBJDLLXGMGDY-NWDGAFQWSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N1CCN(C)CC1 ZINC000581012798 355003799 /nfs/dbraw/zinc/00/37/99/355003799.db2.gz VPXNITHJOXJSBT-DZGCQCFKSA-N 2 0 280.416 -0.166 20 0 CBADRP [NH3+]CC1(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CCCC1 ZINC000580552726 354995568 /nfs/dbraw/zinc/99/55/68/354995568.db2.gz WHYXABUHGSQGBN-LLVKDONJSA-N 2 0 282.388 -0.368 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000580712334 354996713 /nfs/dbraw/zinc/99/67/13/354996713.db2.gz XLFZMAZRNLCTKD-UWVGGRQHSA-N 2 0 257.334 -0.571 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000584598421 355033046 /nfs/dbraw/zinc/03/30/46/355033046.db2.gz HUMQPZCFQJHFTF-UONOGXRCSA-N 3 0 298.431 -0.458 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000584598422 355033078 /nfs/dbraw/zinc/03/30/78/355033078.db2.gz HUMQPZCFQJHFTF-ZIAGYGMSSA-N 3 0 298.431 -0.458 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@@H]([NH2+]CC2(O)CCCC2)C1=O ZINC000584727818 355036405 /nfs/dbraw/zinc/03/64/05/355036405.db2.gz AVWLASZDKJFNCM-LLVKDONJSA-N 2 0 283.372 -0.430 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[N@H+](CCC3CC[NH2+]CC3)CCN2C1=O ZINC000584851600 355040888 /nfs/dbraw/zinc/04/08/88/355040888.db2.gz XLAHJKXFIBCTDB-QWHCGFSZSA-N 3 0 266.389 -0.380 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCC3CC[NH2+]CC3)CCN2C1=O ZINC000584851595 355041050 /nfs/dbraw/zinc/04/10/50/355041050.db2.gz XLAHJKXFIBCTDB-CHWSQXEVSA-N 3 0 266.389 -0.380 20 0 CBADRP COC[C@]1(CNC(=O)COC2CC[NH2+]CC2)CCC[NH2+]1 ZINC000582061662 355006708 /nfs/dbraw/zinc/00/67/08/355006708.db2.gz JPDBIPRDJWVDKJ-CQSZACIVSA-N 2 0 285.388 -0.360 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000582231363 355010687 /nfs/dbraw/zinc/01/06/87/355010687.db2.gz MUGSCBDLDIDSOI-NWDGAFQWSA-N 2 0 269.393 -0.587 20 0 CBADRP CC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000582237827 355011289 /nfs/dbraw/zinc/01/12/89/355011289.db2.gz AOTGVWZHVJYUJO-WDEREUQCSA-N 2 0 270.377 -0.573 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000582240783 355012083 /nfs/dbraw/zinc/01/20/83/355012083.db2.gz LTFBQRKKAOPRAX-XBXRNYETSA-N 2 0 279.384 -0.147 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000582242681 355012176 /nfs/dbraw/zinc/01/21/76/355012176.db2.gz MRXVEIWUBGGGOL-UMNHJUIQSA-N 2 0 270.377 -0.800 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)NCC[N@@H+]1CCCOCC1 ZINC000582299755 355012882 /nfs/dbraw/zinc/01/28/82/355012882.db2.gz FNYRXPWDEAXOBK-GFCCVEGCSA-N 2 0 287.429 -0.080 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582415110 355015968 /nfs/dbraw/zinc/01/59/68/355015968.db2.gz ABDYIEZKFDCHBU-OCCSQVGLSA-N 2 0 267.373 -0.033 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000582419673 355016261 /nfs/dbraw/zinc/01/62/61/355016261.db2.gz ZMDRAPQZFOXZEA-ZYHUDNBSSA-N 2 0 255.362 -0.131 20 0 CBADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)CCOC2C[NH2+]C2)C1 ZINC000582600926 355016579 /nfs/dbraw/zinc/01/65/79/355016579.db2.gz JGZTZCAOSHZUEH-MNOVXSKESA-N 2 0 255.362 -0.001 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@H]1C[NH2+]CCN1C)[C@H](C)[NH3+] ZINC000582601232 355017123 /nfs/dbraw/zinc/01/71/23/355017123.db2.gz VZOOMIMEAXCZNH-SRVKXCTJSA-N 2 0 256.394 -0.374 20 0 CBADRP O=C(NC1C[NH2+]C1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000583615674 355021146 /nfs/dbraw/zinc/02/11/46/355021146.db2.gz BQKCQHSVVSIJNV-UHFFFAOYSA-N 2 0 294.399 -0.591 20 0 CBADRP CCC[C@H]1CN(C(=O)[C@H](C[NH3+])OC)CC[N@@H+]1CCOC ZINC000583633822 355022552 /nfs/dbraw/zinc/02/25/52/355022552.db2.gz YCLKIDPREAJQFE-STQMWFEESA-N 2 0 287.404 -0.081 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000583871002 355023210 /nfs/dbraw/zinc/02/32/10/355023210.db2.gz DRFKGTIGSHEEFH-OLZOCXBDSA-N 2 0 268.405 -0.214 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000583872463 355024046 /nfs/dbraw/zinc/02/40/46/355024046.db2.gz JXYRMNPUQUCUQU-OLZOCXBDSA-N 2 0 268.405 -0.180 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[NH2+]C1 ZINC000583992864 355026033 /nfs/dbraw/zinc/02/60/33/355026033.db2.gz IZLSSPDXKUKZFM-DYEKYZERSA-N 2 0 267.373 -0.320 20 0 CBADRP C[C@H]1C[NH2+]CCN1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000584350864 355029549 /nfs/dbraw/zinc/02/95/49/355029549.db2.gz GEHYDSYKLKVFDC-RYUDHWBXSA-N 2 0 254.378 -0.523 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCCN2CC[NH+](C)CC2)C1 ZINC000591667693 355106863 /nfs/dbraw/zinc/10/68/63/355106863.db2.gz ODPPRWCCFXXTJU-CYBMUJFWSA-N 2 0 268.405 -0.308 20 0 CBADRP C[C@@H]([NH2+]CCC(=O)NC(N)=O)C1CC[NH+](C)CC1 ZINC000591739739 355112439 /nfs/dbraw/zinc/11/24/39/355112439.db2.gz XBBOSGVAPGEKKU-SECBINFHSA-N 2 0 256.350 -0.109 20 0 CBADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]CCC(=O)NC(N)=O)CC1 ZINC000591739231 355112480 /nfs/dbraw/zinc/11/24/80/355112480.db2.gz BOVJIDOKDWVTKQ-LBPRGKRZSA-N 2 0 299.419 -0.565 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000591893066 355116018 /nfs/dbraw/zinc/11/60/18/355116018.db2.gz QJUZWGMQXSJRTO-WOPDTQHZSA-N 2 0 283.372 -0.133 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000591893064 355116241 /nfs/dbraw/zinc/11/62/41/355116241.db2.gz QJUZWGMQXSJRTO-SDDRHHMPSA-N 2 0 283.372 -0.133 20 0 CBADRP Cc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CC2 ZINC000591910355 355117916 /nfs/dbraw/zinc/11/79/16/355117916.db2.gz WMUHVEBWYFRTJI-OLZOCXBDSA-N 2 0 279.388 -0.052 20 0 CBADRP Cc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CC2 ZINC000591910356 355118310 /nfs/dbraw/zinc/11/83/10/355118310.db2.gz WMUHVEBWYFRTJI-QWHCGFSZSA-N 2 0 279.388 -0.052 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000592548091 355160979 /nfs/dbraw/zinc/16/09/79/355160979.db2.gz MPDOKUVTBSPSRG-UTUOFQBUSA-N 2 0 283.372 -0.133 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000592546730 355161013 /nfs/dbraw/zinc/16/10/13/355161013.db2.gz CINBEPOHJAONJO-JTQLQIEISA-N 2 0 257.334 -0.651 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CCC(C)(C)[NH3+] ZINC000592548954 355161846 /nfs/dbraw/zinc/16/18/46/355161846.db2.gz UVNMHITUEKBOSE-SNVBAGLBSA-N 2 0 271.361 -0.133 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000592552556 355162337 /nfs/dbraw/zinc/16/23/37/355162337.db2.gz IJZRPCYPGHUYDK-YUMQZZPRSA-N 2 0 279.287 -0.668 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592553492 355162665 /nfs/dbraw/zinc/16/26/65/355162665.db2.gz VMEZQRNUWBPULY-UTUOFQBUSA-N 2 0 283.372 -0.310 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CC[C@H](C)[NH3+] ZINC000592557576 355163625 /nfs/dbraw/zinc/16/36/25/355163625.db2.gz ZVXNAQLLQYRYTO-VHSXEESVSA-N 2 0 257.334 -0.523 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000592557267 355163676 /nfs/dbraw/zinc/16/36/76/355163676.db2.gz XTMRDONZUBNDSQ-RYUDHWBXSA-N 2 0 283.372 -0.260 20 0 CBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C2)CC1 ZINC000592559399 355164299 /nfs/dbraw/zinc/16/42/99/355164299.db2.gz SCWOZVHDEOTGEC-TUVASFSCSA-N 2 0 292.427 -0.025 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000592242184 355145463 /nfs/dbraw/zinc/14/54/63/355145463.db2.gz QHJKGTMYTRNAJZ-GHMZBOCLSA-N 2 0 271.361 -0.277 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000592303366 355147381 /nfs/dbraw/zinc/14/73/81/355147381.db2.gz WKNOGSWXWVBJIV-MRVPVSSYSA-N 2 0 299.404 -0.767 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000592331531 355148041 /nfs/dbraw/zinc/14/80/41/355148041.db2.gz UHKHXKSOBSYKTL-UTLUCORTSA-N 2 0 257.334 -0.347 20 0 CBADRP CC[C@H]1CN(C(=O)[C@@H]([NH3+])CC(=O)OC)CC[C@H]1[NH3+] ZINC000592330507 355148058 /nfs/dbraw/zinc/14/80/58/355148058.db2.gz BRLAWBKBBZEDHX-AEJSXWLSSA-N 2 0 257.334 -0.537 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000592331530 355148079 /nfs/dbraw/zinc/14/80/79/355148079.db2.gz UHKHXKSOBSYKTL-GUBZILKMSA-N 2 0 257.334 -0.347 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(=O)OC)CC[C@@H]1[NH3+] ZINC000592330518 355148322 /nfs/dbraw/zinc/14/83/22/355148322.db2.gz BRLAWBKBBZEDHX-UTLUCORTSA-N 2 0 257.334 -0.537 20 0 CBADRP COC(=O)c1cn([C@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)nn1 ZINC000592495585 355158225 /nfs/dbraw/zinc/15/82/25/355158225.db2.gz MOQSKUGIENLOAR-MNOVXSKESA-N 2 0 279.344 -0.079 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[C@]34CCC[NH2+]C4)CCN2C1=O ZINC000594878013 355266703 /nfs/dbraw/zinc/26/67/03/355266703.db2.gz AZYONGFVJUMWSE-BLTAXRJOSA-N 2 0 292.383 -0.854 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594877938 355266710 /nfs/dbraw/zinc/26/67/10/355266710.db2.gz FMMXIXFFOGTEPZ-FIQHERPVSA-N 2 0 280.372 -0.855 20 0 CBADRP CCC(CC)(C[NH3+])C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594879699 355267922 /nfs/dbraw/zinc/26/79/22/355267922.db2.gz JUABFKROHFQQMV-MNOVXSKESA-N 2 0 282.388 -0.478 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594879647 355268262 /nfs/dbraw/zinc/26/82/62/355268262.db2.gz FMMXIXFFOGTEPZ-KKOKHZNYSA-N 2 0 280.372 -0.855 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595895483 355315873 /nfs/dbraw/zinc/31/58/73/355315873.db2.gz OEGRAJRUYQGJCZ-NEPJUHHUSA-N 2 0 283.372 -0.656 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[NH2+]C(C)C ZINC000595952131 355326656 /nfs/dbraw/zinc/32/66/56/355326656.db2.gz XPXNULCUUKHHBA-SNVBAGLBSA-N 2 0 257.334 -0.652 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595266058 355276296 /nfs/dbraw/zinc/27/62/96/355276296.db2.gz YDAHJMNPYMGRFV-BJDJZHNGSA-N 2 0 295.387 -0.920 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000595262835 355276661 /nfs/dbraw/zinc/27/66/61/355276661.db2.gz FOUQOPXRQCVEHA-QJPTWQEYSA-N 2 0 295.387 -0.966 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595274628 355278108 /nfs/dbraw/zinc/27/81/08/355278108.db2.gz YLLATUAXQJXFLG-TUAOUCFPSA-N 2 0 297.403 -0.687 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419422242 295901905 /nfs/dbraw/zinc/90/19/05/295901905.db2.gz MJBLARSBJVNACN-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000598668928 355449949 /nfs/dbraw/zinc/44/99/49/355449949.db2.gz TXZJFJFZKIXMIN-RWMBFGLXSA-N 2 0 294.399 -0.463 20 0 CBADRP COC(=O)CCNC(=O)CC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000600710055 355561847 /nfs/dbraw/zinc/56/18/47/355561847.db2.gz NRYUHGOBEBEZFO-NXEZZACHSA-N 2 0 259.350 -0.229 20 0 CBADRP COC(=O)CCCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000600712033 355561990 /nfs/dbraw/zinc/56/19/90/355561990.db2.gz VOHYPKMXEHGLLO-QWRGUYRKSA-N 2 0 269.345 -0.427 20 0 CBADRP COC(=O)CCNC(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000600712695 355562829 /nfs/dbraw/zinc/56/28/29/355562829.db2.gz ZQVMGYYCYVPQHL-FOSCPWQOSA-N 2 0 283.372 -0.072 20 0 CBADRP CC[C@H](C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[NH+](C)C ZINC000600761390 355564840 /nfs/dbraw/zinc/56/48/40/355564840.db2.gz PKYQCULZLHZJPA-GARJFASQSA-N 2 0 268.361 -0.903 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000602523735 355657490 /nfs/dbraw/zinc/65/74/90/355657490.db2.gz HOMLNXIZMNOHKD-IJLUTSLNSA-N 2 0 280.372 -0.901 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000602528993 355658396 /nfs/dbraw/zinc/65/83/96/355658396.db2.gz DJVUCSGHZNRJRX-VHSXEESVSA-N 2 0 269.345 -0.332 20 0 CBADRP C[S@](=O)C1(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]CC1 ZINC000602533312 355658646 /nfs/dbraw/zinc/65/86/46/355658646.db2.gz WMLSOVQVJJAHBQ-SCLGINMFSA-N 2 0 299.440 -0.173 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000602551409 355661065 /nfs/dbraw/zinc/66/10/65/355661065.db2.gz CXNVLFAELANBAS-UTLUCORTSA-N 2 0 257.334 -0.476 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000602582871 355662449 /nfs/dbraw/zinc/66/24/49/355662449.db2.gz YIUQOVDZENVNLR-WDEREUQCSA-N 2 0 271.361 -0.003 20 0 CBADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)c21 ZINC000602586974 355663240 /nfs/dbraw/zinc/66/32/40/355663240.db2.gz CFEMUOWEDZKYAV-DCAQKATOSA-N 2 0 275.356 -0.095 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000602592036 355664086 /nfs/dbraw/zinc/66/40/86/355664086.db2.gz GRLSWLNCEARZPA-VXGBXAGGSA-N 2 0 283.372 -0.181 20 0 CBADRP C[NH+]1CCC2(CC[N@H+](CC(=O)NC(N)=O)C2)CC1 ZINC000602877449 355679512 /nfs/dbraw/zinc/67/95/12/355679512.db2.gz NUZAZPREIJXTAO-UHFFFAOYSA-N 2 0 254.334 -0.401 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCCC(=O)NC(N)=O)C1 ZINC000602891473 355681629 /nfs/dbraw/zinc/68/16/29/355681629.db2.gz NMBZZSRKMCKZBL-ZDUSSCGKSA-N 2 0 286.376 -0.650 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)NCCC[NH+](C)C)C1 ZINC000606618536 355741003 /nfs/dbraw/zinc/74/10/03/355741003.db2.gz GNHDNGVANMBYFL-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP C(CN1C[C@H]2C[NH2+]C[C@H]2C1)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000607151008 355746172 /nfs/dbraw/zinc/74/61/72/355746172.db2.gz ZSTUQNQBBGCBPG-ZQDZILKHSA-N 3 0 264.417 -0.321 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612875874 355853980 /nfs/dbraw/zinc/85/39/80/355853980.db2.gz OBJXOKNIJVRWCY-LBPRGKRZSA-N 2 0 258.366 -0.384 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612879552 355854010 /nfs/dbraw/zinc/85/40/10/355854010.db2.gz ZMFLIWZUDJJQTL-JSGCOSHPSA-N 2 0 283.420 -0.327 20 0 CBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000612992395 355859706 /nfs/dbraw/zinc/85/97/06/355859706.db2.gz FHINGTVBFPWPEA-GRYCIOLGSA-N 2 0 264.373 -0.011 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612993572 355859820 /nfs/dbraw/zinc/85/98/20/355859820.db2.gz OUNTUYVMCDSQLP-QWRGUYRKSA-N 2 0 268.361 -0.584 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612993999 355860103 /nfs/dbraw/zinc/86/01/03/355860103.db2.gz RIJICKDIIVVTRH-NEPJUHHUSA-N 2 0 282.388 -0.194 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612994002 355860415 /nfs/dbraw/zinc/86/04/15/355860415.db2.gz RIJICKDIIVVTRH-VXGBXAGGSA-N 2 0 282.388 -0.194 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CCO1 ZINC000612995161 355860725 /nfs/dbraw/zinc/86/07/25/355860725.db2.gz WLCLHFLOORXXBN-WDEREUQCSA-N 2 0 268.361 -0.502 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000612995160 355860754 /nfs/dbraw/zinc/86/07/54/355860754.db2.gz WLCLHFLOORXXBN-QWRGUYRKSA-N 2 0 268.361 -0.502 20 0 CBADRP O[C@H](COC[C@@H]1CCCO1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613210935 355873073 /nfs/dbraw/zinc/87/30/73/355873073.db2.gz UPQCRRPCPRZPKQ-CRWXNKLISA-N 2 0 270.373 -0.306 20 0 CBADRP C[NH+](C)C[C@H](CO)NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000614845392 355988330 /nfs/dbraw/zinc/98/83/30/355988330.db2.gz CNXHBWHGLNXECG-MNOVXSKESA-N 2 0 275.418 -0.538 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)[NH+](C)C ZINC000614505823 355965927 /nfs/dbraw/zinc/96/59/27/355965927.db2.gz BCJRNPNTOIHWDD-STQMWFEESA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000615313288 356021046 /nfs/dbraw/zinc/02/10/46/356021046.db2.gz HXGVKIMLBSDVCE-RDBSUJKOSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CC1C[NH+](C)C1 ZINC000618191536 356179565 /nfs/dbraw/zinc/17/95/65/356179565.db2.gz IEMYPXHXSXVCJF-GFCCVEGCSA-N 2 0 269.389 -0.025 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618305465 356185677 /nfs/dbraw/zinc/18/56/77/356185677.db2.gz VMGZYQIVWAHESR-UHFFFAOYSA-N 2 0 286.420 -0.195 20 0 CBADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Cn1cnnn1 ZINC000618402128 356189735 /nfs/dbraw/zinc/18/97/35/356189735.db2.gz XJEXYQVIBJANHE-UHFFFAOYSA-N 2 0 295.391 -0.843 20 0 CBADRP CC1(OCC(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C[NH2+]C1 ZINC000621698848 356280956 /nfs/dbraw/zinc/28/09/56/356280956.db2.gz GYXFWYKHFWIBOG-GWCFXTLKSA-N 2 0 253.346 -0.295 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621698718 356281376 /nfs/dbraw/zinc/28/13/76/356281376.db2.gz DKPOCTUYVXAXQX-ZFWWWQNUSA-N 2 0 280.416 -0.036 20 0 CBADRP C[C@@H](C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[NH+](C)C ZINC000620482488 356244518 /nfs/dbraw/zinc/24/45/18/356244518.db2.gz PGQSSNRMDSLEIF-AAEUAGOBSA-N 2 0 269.389 -0.006 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000622003951 356298818 /nfs/dbraw/zinc/29/88/18/356298818.db2.gz IFMNFOWONKIANZ-UMVBOHGHSA-N 3 0 280.416 -0.003 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000622658934 356334596 /nfs/dbraw/zinc/33/45/96/356334596.db2.gz NITPJBMVSORDDX-ZDUSSCGKSA-N 2 0 299.415 -0.472 20 0 CBADRP C[N@@H+]1CC[C@H]2OCCN(C(=O)C[NH2+]CC3CC3)[C@H]2C1 ZINC000423934977 283155754 /nfs/dbraw/zinc/15/57/54/283155754.db2.gz XPSBTRBVGIQYEF-QWHCGFSZSA-N 2 0 267.373 -0.083 20 0 CBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624165112 356399929 /nfs/dbraw/zinc/39/99/29/356399929.db2.gz YLFCBDKMBRGBEJ-SECBINFHSA-N 2 0 293.375 -0.614 20 0 CBADRP Nc1nc(NC[C@@H](c2ccco2)[NH+]2CCCC2)nc(N)[nH+]1 ZINC000623799106 356376569 /nfs/dbraw/zinc/37/65/69/356376569.db2.gz PGTAGPJRUJRUEZ-VIFPVBQESA-N 2 0 289.343 -0.039 20 0 CBADRP C[C@H](CNc1nc(N)[nH+]c(N)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000623859101 356379437 /nfs/dbraw/zinc/37/94/37/356379437.db2.gz AWIDDDXDAGICBR-RKDXNWHRSA-N 2 0 265.365 -0.349 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)Nc1nc(N)[nH+]c(N)n1 ZINC000623852924 356379550 /nfs/dbraw/zinc/37/95/50/356379550.db2.gz FSRHUSWQMTUWBM-QMMMGPOBSA-N 2 0 251.338 -0.595 20 0 CBADRP C[C@@H](CNc1nc(N)[nH+]c(N)n1)C[NH+]1CCCCC1 ZINC000623877751 356380059 /nfs/dbraw/zinc/38/00/59/356380059.db2.gz LHHLJULBIFGHJQ-VIFPVBQESA-N 2 0 265.365 -0.347 20 0 CBADRP C[N@H+](CCNc1nc(N)[nH+]c(N)n1)Cc1ccccc1 ZINC000623884723 356380493 /nfs/dbraw/zinc/38/04/93/356380493.db2.gz HBJDIDYLEHVKPJ-UHFFFAOYSA-N 2 0 273.344 -0.337 20 0 CBADRP CCC[N@@H+]1CC[C@@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000623885096 356381432 /nfs/dbraw/zinc/38/14/32/356381432.db2.gz QCVXDDJHKYEPKR-QMMMGPOBSA-N 2 0 251.338 -0.738 20 0 CBADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1nc(N)[nH+]c(N)n1 ZINC000623887407 356381564 /nfs/dbraw/zinc/38/15/64/356381564.db2.gz AYPVJHOPUIWLIR-OPRDCNLKSA-N 2 0 279.392 -0.103 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1nc(N)[nH+]c(N)n1 ZINC000623885573 356381651 /nfs/dbraw/zinc/38/16/51/356381651.db2.gz BFXXFPWVOXRBQU-RKDXNWHRSA-N 2 0 265.365 -0.349 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000623961098 356385674 /nfs/dbraw/zinc/38/56/74/356385674.db2.gz SKUCODIZRWINRG-MRVPVSSYSA-N 2 0 251.338 -0.595 20 0 CBADRP CC(C)[C@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@@H+]1C ZINC000624156176 356400425 /nfs/dbraw/zinc/40/04/25/356400425.db2.gz SPRCTUMJEHAAAX-MRVPVSSYSA-N 2 0 251.338 -0.527 20 0 CBADRP C[C@H]1C[C@@H](N(C)c2nc(N)[nH+]c(N)n2)CC[N@@H+]1C ZINC000623991987 356386813 /nfs/dbraw/zinc/38/68/13/356386813.db2.gz YIDAIAWDPFAGMB-YUMQZZPRSA-N 2 0 251.338 -0.384 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624006084 356388387 /nfs/dbraw/zinc/38/83/87/356388387.db2.gz LKCCCCRGPKYEIZ-QMMMGPOBSA-N 2 0 251.338 -0.525 20 0 CBADRP C[N@H+](CCNc1nc(N)[nH+]c(N)n1)Cc1ccc(F)cc1 ZINC000624022514 356388939 /nfs/dbraw/zinc/38/89/39/356388939.db2.gz RQRFWITXOWYNEA-UHFFFAOYSA-N 2 0 291.334 -0.198 20 0 CBADRP C[N@H+](CC1CC1)C[C@H]1CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624011738 356389116 /nfs/dbraw/zinc/38/91/16/356389116.db2.gz HPYKJQVPLOCWPQ-SNVBAGLBSA-N 2 0 277.376 -0.135 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000624055918 356393620 /nfs/dbraw/zinc/39/36/20/356393620.db2.gz SFIDQJTWELPVEP-JTQLQIEISA-N 2 0 279.392 -0.101 20 0 CBADRP C[N@@H+]1CC[C@@H](Nc2nc(N)[nH+]c(N)n2)[C@H]1c1ccccc1 ZINC000624068513 356395145 /nfs/dbraw/zinc/39/51/45/356395145.db2.gz YFNVIPVUUAHFAC-GHMZBOCLSA-N 2 0 285.355 -0.024 20 0 CBADRP NC(=O)c1c[nH+]ccc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000624678953 356431363 /nfs/dbraw/zinc/43/13/63/356431363.db2.gz GOOIMBKJXMZVML-SECBINFHSA-N 2 0 250.302 -0.919 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000624383997 356416023 /nfs/dbraw/zinc/41/60/23/356416023.db2.gz AKNOOFLXUNFTAK-ZETCQYMHSA-N 2 0 251.338 -0.597 20 0 CBADRP CC(C)[NH2+]C1(CO)CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000624249283 356407491 /nfs/dbraw/zinc/40/74/91/356407491.db2.gz AKCIXXSECRPPRV-UHFFFAOYSA-N 2 0 281.364 -0.974 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419763960 283166032 /nfs/dbraw/zinc/16/60/32/283166032.db2.gz OTWOCSBNGPGKMX-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000626930878 356557246 /nfs/dbraw/zinc/55/72/46/356557246.db2.gz KKVZSIOJVHMFHG-CYBMUJFWSA-N 2 0 283.420 -0.327 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000626938002 356557880 /nfs/dbraw/zinc/55/78/80/356557880.db2.gz LROOCKNYRXVPRU-JHJVBQTASA-N 2 0 282.388 -0.099 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000626946425 356558696 /nfs/dbraw/zinc/55/86/96/356558696.db2.gz YJRBIICCUQTSAL-LLVKDONJSA-N 2 0 258.366 -0.303 20 0 CBADRP C[NH2+]CCOCCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000626950450 356559038 /nfs/dbraw/zinc/55/90/38/356559038.db2.gz RIRBZWHIOSEDFM-LLVKDONJSA-N 2 0 258.366 -0.384 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)NCCOCCC[NH3+] ZINC000626954569 356559674 /nfs/dbraw/zinc/55/96/74/356559674.db2.gz GCLWXPYMAASRLW-LLVKDONJSA-N 2 0 260.382 -0.009 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NCC1([NH3+])CCOCC1 ZINC000626965394 356560714 /nfs/dbraw/zinc/56/07/14/356560714.db2.gz CLNZXZLDYUSQHZ-UHFFFAOYSA-N 2 0 288.392 -0.628 20 0 CBADRP C[C@@H](CNC(=O)NC[C@@H]1COCC[NH2+]1)[N@H+](C)C1CC1 ZINC000626969972 356561124 /nfs/dbraw/zinc/56/11/24/356561124.db2.gz IVJHFZLNNFHFRM-WDEREUQCSA-N 2 0 270.377 -0.243 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000626975147 356561834 /nfs/dbraw/zinc/56/18/34/356561834.db2.gz QPRXUEJIBIJCPF-FRRDWIJNSA-N 2 0 283.420 -0.328 20 0 CBADRP C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1CN(C)CCO1 ZINC000627003980 356566190 /nfs/dbraw/zinc/56/61/90/356566190.db2.gz XRQNKJCIZCXPAK-YFKTTZPYSA-N 2 0 270.377 -0.245 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@H](C)[NH+](C)C ZINC000627053037 356570405 /nfs/dbraw/zinc/57/04/05/356570405.db2.gz WESROPSQUOEDDS-NSHDSACASA-N 2 0 260.382 -0.186 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627070614 356573303 /nfs/dbraw/zinc/57/33/03/356573303.db2.gz CMMFEZZBHZKBBA-NSHDSACASA-N 2 0 258.366 -0.338 20 0 CBADRP CC[NH2+]CCCNC(=O)NC[C@H]1COCCN1C ZINC000627064724 356571416 /nfs/dbraw/zinc/57/14/16/356571416.db2.gz UJELBXCJAFQFDW-NSHDSACASA-N 2 0 258.366 -0.384 20 0 CBADRP CC[NH2+]CCCNC(=O)NCC1([NH3+])CCOCC1 ZINC000627065099 356571423 /nfs/dbraw/zinc/57/14/23/356571423.db2.gz ZANOZKWWHCBRRV-UHFFFAOYSA-N 2 0 258.366 -0.207 20 0 CBADRP CN1CCOC[C@@H]1CNC(=O)NCCC[NH2+]C1CC1 ZINC000627063848 356571466 /nfs/dbraw/zinc/57/14/66/356571466.db2.gz LRYNRKMGLIXNQU-LBPRGKRZSA-N 2 0 270.377 -0.242 20 0 CBADRP CC[NH2+]CCCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627064924 356571514 /nfs/dbraw/zinc/57/15/14/356571514.db2.gz WHCTYIJQAJZSQZ-NSHDSACASA-N 2 0 258.366 -0.648 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@H]1CCCC[NH2+]1 ZINC000627065975 356571685 /nfs/dbraw/zinc/57/16/85/356571685.db2.gz MOKUTYQFPILYAB-VXGBXAGGSA-N 2 0 270.377 -0.506 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000627069395 356572498 /nfs/dbraw/zinc/57/24/98/356572498.db2.gz NYOWBHHPGCMHFU-GFCCVEGCSA-N 2 0 272.393 -0.137 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@H]1CCC[NH2+]C1 ZINC000627068284 356572569 /nfs/dbraw/zinc/57/25/69/356572569.db2.gz HDBXTTVLUGFZKR-NWDGAFQWSA-N 2 0 270.377 -0.648 20 0 CBADRP CCN(CC[NH3+])C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000626986775 356563461 /nfs/dbraw/zinc/56/34/61/356563461.db2.gz MSRMXNCMQXAHRF-CYBMUJFWSA-N 2 0 285.436 -0.140 20 0 CBADRP C[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000626986167 356563471 /nfs/dbraw/zinc/56/34/71/356563471.db2.gz BGLKDEYKJKMJDT-QWHCGFSZSA-N 2 0 283.420 -0.469 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627130140 356587855 /nfs/dbraw/zinc/58/78/55/356587855.db2.gz JPPYCSLREKCGSQ-LBPRGKRZSA-N 2 0 284.404 -0.116 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627131869 356587966 /nfs/dbraw/zinc/58/79/66/356587966.db2.gz XEWCPTSRVKGDOA-WCQYABFASA-N 2 0 284.404 -0.117 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627127367 356588159 /nfs/dbraw/zinc/58/81/59/356588159.db2.gz YGJFNMCHCTUKOL-VXGBXAGGSA-N 2 0 282.388 -0.363 20 0 CBADRP C[C@H]1[NH2+]CCN(C(=O)NCC2([NH3+])CCOCC2)[C@H]1C ZINC000627147503 356588931 /nfs/dbraw/zinc/58/89/31/356588931.db2.gz JUBCMLYNQOQPHQ-MNOVXSKESA-N 2 0 270.377 -0.114 20 0 CBADRP [NH3+]C1(CNC(=O)NCCNc2cc[nH+]cc2)CCOCC1 ZINC000627154401 356589646 /nfs/dbraw/zinc/58/96/46/356589646.db2.gz WLTJUIANHANCRD-UHFFFAOYSA-N 2 0 293.371 -0.278 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000627159386 356591283 /nfs/dbraw/zinc/59/12/83/356591283.db2.gz PTDZRMJHNQRVBW-HZSPNIEDSA-N 2 0 295.431 -0.184 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000627170784 356592412 /nfs/dbraw/zinc/59/24/12/356592412.db2.gz GRJKQHYRFTYXGP-BETUJISGSA-N 2 0 284.404 -0.137 20 0 CBADRP CC[C@@H]1CN(C(=O)NCCOCC[NH2+]C)CC[C@@H]1[NH3+] ZINC000627170582 356592512 /nfs/dbraw/zinc/59/25/12/356592512.db2.gz DFGJFCAMJWZICU-NEPJUHHUSA-N 2 0 272.393 -0.009 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000627170526 356592555 /nfs/dbraw/zinc/59/25/55/356592555.db2.gz BUHAKYYENYTABR-VXGBXAGGSA-N 2 0 272.393 -0.151 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000627170936 356592572 /nfs/dbraw/zinc/59/25/72/356592572.db2.gz LOQYVQBVCHKEJK-WDEREUQCSA-N 2 0 258.366 -0.399 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000627170996 356592642 /nfs/dbraw/zinc/59/26/42/356592642.db2.gz NLYMITMLLDLETL-QWRGUYRKSA-N 2 0 258.366 -0.399 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000627171262 356593111 /nfs/dbraw/zinc/59/31/11/356593111.db2.gz SXSFTPIEBNLDPX-GHMZBOCLSA-N 2 0 258.366 -0.209 20 0 CBADRP O=C(NCC[NH2+]C1CC1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627070277 356573602 /nfs/dbraw/zinc/57/36/02/356573602.db2.gz ZKIHTFAZMQNAOU-LLVKDONJSA-N 2 0 256.350 -0.896 20 0 CBADRP [NH3+]C1(CNC(=O)NC[C@H]2CCC[NH2+]2)CCOCC1 ZINC000627073565 356573822 /nfs/dbraw/zinc/57/38/22/356573822.db2.gz JPUUVXVADODNPM-SNVBAGLBSA-N 2 0 256.350 -0.455 20 0 CBADRP C[NH2+]CCOCCNC(=O)NCC[N@H+]1CC=CCC1 ZINC000627172632 356594063 /nfs/dbraw/zinc/59/40/63/356594063.db2.gz DOQMLZNVGYGECX-UHFFFAOYSA-N 2 0 270.377 -0.217 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627078885 356576549 /nfs/dbraw/zinc/57/65/49/356576549.db2.gz FHPHLVRIVNTQIL-QWRGUYRKSA-N 2 0 258.366 -0.209 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627081479 356577336 /nfs/dbraw/zinc/57/73/36/356577336.db2.gz ZAVLBUNVWSFVDO-LLVKDONJSA-N 2 0 272.393 -0.130 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627080911 356577355 /nfs/dbraw/zinc/57/73/55/356577355.db2.gz PAYQPXIBPPVNTN-JTQLQIEISA-N 2 0 258.366 -0.209 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627082136 356577362 /nfs/dbraw/zinc/57/73/62/356577362.db2.gz COFPWILPWDNWKH-MNOVXSKESA-N 2 0 258.366 -0.338 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000627080576 356577531 /nfs/dbraw/zinc/57/75/31/356577531.db2.gz LDPPLVWWLMWXDM-LLVKDONJSA-N 2 0 260.382 -0.105 20 0 CBADRP CC1(CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC[NH2+]CC1 ZINC000627084320 356578427 /nfs/dbraw/zinc/57/84/27/356578427.db2.gz SDDJHFYPDAKGQI-GFCCVEGCSA-N 2 0 284.404 -0.258 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000627086114 356578961 /nfs/dbraw/zinc/57/89/61/356578961.db2.gz HNRSOJZYVAXEKI-NSHDSACASA-N 2 0 258.366 -0.336 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1CCC[NH2+]CC1 ZINC000627086064 356579145 /nfs/dbraw/zinc/57/91/45/356579145.db2.gz GCLREBZAAVZKCX-NEPJUHHUSA-N 2 0 270.377 -0.506 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627087127 356579817 /nfs/dbraw/zinc/57/98/17/356579817.db2.gz GWJJHBIYEGKYJQ-OUAUKWLOSA-N 2 0 256.350 -0.456 20 0 CBADRP [NH3+]C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)C1CCCC1 ZINC000627089280 356580523 /nfs/dbraw/zinc/58/05/23/356580523.db2.gz LWOKZYLJQCVING-NEPJUHHUSA-N 2 0 270.377 -0.209 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC[NH2+]1 ZINC000627088781 356580590 /nfs/dbraw/zinc/58/05/90/356580590.db2.gz IONBDHMCXBJASR-WOPDTQHZSA-N 2 0 270.377 -0.507 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCOCCC[NH3+] ZINC000627088346 356580719 /nfs/dbraw/zinc/58/07/19/356580719.db2.gz PZMGIRXTXAABQP-GHMZBOCLSA-N 2 0 258.366 -0.351 20 0 CBADRP COC[C@@]1(CNC(=O)NC[C@@H]2COCC[NH2+]2)CCC[NH2+]1 ZINC000627091956 356581514 /nfs/dbraw/zinc/58/15/14/356581514.db2.gz FWUPMDOXQJWLFV-YPMHNXCESA-N 2 0 286.376 -0.957 20 0 CBADRP [NH3+]C[C@@H](NC(=O)NCC[N@@H+]1CC[C@H](O)C1)C1CCCC1 ZINC000627090787 356581526 /nfs/dbraw/zinc/58/15/26/356581526.db2.gz ZNJSWTNDFLVYEN-QWHCGFSZSA-N 2 0 284.404 -0.130 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)NCCOCCC[NH3+])CC[NH2+]1 ZINC000627090432 356581644 /nfs/dbraw/zinc/58/16/44/356581644.db2.gz VTTGPOPLFNNMIH-GHMZBOCLSA-N 2 0 258.366 -0.209 20 0 CBADRP COC[C@@]1(CNC(=O)NC[C@H]2COCC[NH2+]2)CCC[NH2+]1 ZINC000627091953 356581695 /nfs/dbraw/zinc/58/16/95/356581695.db2.gz FWUPMDOXQJWLFV-AAEUAGOBSA-N 2 0 286.376 -0.957 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@H](C)CCC[NH3+] ZINC000627095368 356581987 /nfs/dbraw/zinc/58/19/87/356581987.db2.gz CIPSSWNBYDUGCP-LLVKDONJSA-N 2 0 260.382 -0.009 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H](C)CCC[NH3+] ZINC000627095369 356582205 /nfs/dbraw/zinc/58/22/05/356582205.db2.gz CIPSSWNBYDUGCP-NSHDSACASA-N 2 0 260.382 -0.009 20 0 CBADRP [NH3+]CC[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)C(F)F ZINC000627099784 356582979 /nfs/dbraw/zinc/58/29/79/356582979.db2.gz XJUFUQXTFXMWMG-YUMQZZPRSA-N 2 0 266.292 -0.744 20 0 CBADRP O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@H]1COCC[NH2+]1 ZINC000627101027 356582997 /nfs/dbraw/zinc/58/29/97/356582997.db2.gz PREUAOVIOFOHOZ-RYUDHWBXSA-N 2 0 270.377 -0.194 20 0 CBADRP [NH3+]CCCOCCNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000627099166 356583137 /nfs/dbraw/zinc/58/31/37/356583137.db2.gz IUQYXJYITVCXPK-QMMMGPOBSA-N 2 0 268.308 -0.367 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000627103055 356583213 /nfs/dbraw/zinc/58/32/13/356583213.db2.gz XWZKPBWHVCBKOJ-GRYCIOLGSA-N 2 0 270.377 -0.520 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000627103058 356583636 /nfs/dbraw/zinc/58/36/36/356583636.db2.gz XWZKPBWHVCBKOJ-SDDRHHMPSA-N 2 0 270.377 -0.520 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000627103302 356583834 /nfs/dbraw/zinc/58/38/34/356583834.db2.gz OQBJKHANRRPYKF-MNOVXSKESA-N 2 0 258.366 -0.351 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627108059 356584123 /nfs/dbraw/zinc/58/41/23/356584123.db2.gz PVDZKIGAWHAZGF-GMTAPVOTSA-N 2 0 258.366 -0.522 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000627107356 356584302 /nfs/dbraw/zinc/58/43/02/356584302.db2.gz XRAAFQPRLAOADS-XJFOESAGSA-N 2 0 296.415 -0.260 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000627107349 356584396 /nfs/dbraw/zinc/58/43/96/356584396.db2.gz XRAAFQPRLAOADS-AAVRWANBSA-N 2 0 296.415 -0.260 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC1(C[NH3+])CCOCC1 ZINC000627108471 356584437 /nfs/dbraw/zinc/58/44/37/356584437.db2.gz VAYRTZNSAHRZHO-VHSXEESVSA-N 2 0 258.366 -0.081 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627108058 356584843 /nfs/dbraw/zinc/58/48/43/356584843.db2.gz PVDZKIGAWHAZGF-GARJFASQSA-N 2 0 258.366 -0.522 20 0 CBADRP C[NH2+]CCOCCNC(=O)N(C)CCC[NH+](C)C ZINC000627175086 356594547 /nfs/dbraw/zinc/59/45/47/356594547.db2.gz VORAKAHRGIYTBI-UHFFFAOYSA-N 2 0 260.382 -0.185 20 0 CBADRP [NH3+]C1(CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CCCC1 ZINC000627112926 356586416 /nfs/dbraw/zinc/58/64/16/356586416.db2.gz NVBKGMDJDUFHNC-LLVKDONJSA-N 2 0 270.377 -0.376 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000627119692 356586585 /nfs/dbraw/zinc/58/65/85/356586585.db2.gz SXVOTCGBUXIRJT-NWDGAFQWSA-N 2 0 282.388 -0.506 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627126783 356586998 /nfs/dbraw/zinc/58/69/98/356586998.db2.gz LJCHVUCHVAUURL-WDEREUQCSA-N 2 0 268.361 -0.441 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2C)CCO1 ZINC000627134722 356587456 /nfs/dbraw/zinc/58/74/56/356587456.db2.gz AYULDCRHBKZQEE-UTUOFQBUSA-N 2 0 270.377 -0.162 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000627218872 356608269 /nfs/dbraw/zinc/60/82/69/356608269.db2.gz JVYNEKNPCGOUAG-NEPJUHHUSA-N 2 0 270.377 -0.255 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCCOCCC[NH3+])C[C@@H]21 ZINC000627219384 356608526 /nfs/dbraw/zinc/60/85/26/356608526.db2.gz CNQBJUCJDCVGLD-NEPJUHHUSA-N 2 0 270.377 -0.303 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCOCCC[NH3+])CCO1 ZINC000627219619 356608944 /nfs/dbraw/zinc/60/89/44/356608944.db2.gz ZCTYKIFHOZGMKN-GHMZBOCLSA-N 2 0 274.365 -0.891 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NCCOCCC[NH3+])CCO1 ZINC000627219622 356609023 /nfs/dbraw/zinc/60/90/23/356609023.db2.gz ZCTYKIFHOZGMKN-WDEREUQCSA-N 2 0 274.365 -0.891 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000627225704 356609581 /nfs/dbraw/zinc/60/95/81/356609581.db2.gz AYULDCRHBKZQEE-GRYCIOLGSA-N 2 0 270.377 -0.162 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000627244935 356611428 /nfs/dbraw/zinc/61/14/28/356611428.db2.gz AKHLYZZTZZOSMT-YNEHKIRRSA-N 2 0 284.404 -0.117 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000627245516 356611463 /nfs/dbraw/zinc/61/14/63/356611463.db2.gz OUZBZOHWUNRYLT-NWDGAFQWSA-N 2 0 299.419 -0.602 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000627251861 356613957 /nfs/dbraw/zinc/61/39/57/356613957.db2.gz CFJIVACXVIBARF-VXGBXAGGSA-N 2 0 267.377 -0.963 20 0 CBADRP C[C@H]1CN(CCO)CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627251847 356614089 /nfs/dbraw/zinc/61/40/89/356614089.db2.gz BRIXSLHVCYWTRZ-WDEREUQCSA-N 2 0 256.350 -0.944 20 0 CBADRP C[NH2+]CCOCCNC(=O)NCCNc1cc[nH+]cc1 ZINC000627176942 356595264 /nfs/dbraw/zinc/59/52/64/356595264.db2.gz BPICQHVKWYDSSM-UHFFFAOYSA-N 2 0 281.360 -0.549 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627188755 356600026 /nfs/dbraw/zinc/60/00/26/356600026.db2.gz GCAVPNOHEGEFGI-LLVKDONJSA-N 2 0 270.377 -0.290 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627190242 356601169 /nfs/dbraw/zinc/60/11/69/356601169.db2.gz AZMXQCILILCSBK-SNVBAGLBSA-N 2 0 258.366 -0.399 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CCO1 ZINC000627207765 356605337 /nfs/dbraw/zinc/60/53/37/356605337.db2.gz TZIUYGIDSJJFSL-NOOOWODRSA-N 2 0 270.377 -0.116 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627215303 356606661 /nfs/dbraw/zinc/60/66/61/356606661.db2.gz DVKRSSKZSYPVPZ-GFCCVEGCSA-N 2 0 272.393 -0.055 20 0 CBADRP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000627353308 356630712 /nfs/dbraw/zinc/63/07/12/356630712.db2.gz YPNJFCBVHGCHPZ-ZYHUDNBSSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627349707 356630927 /nfs/dbraw/zinc/63/09/27/356630927.db2.gz WTONFCMSXDFDTO-CKYFFXLPSA-N 2 0 280.372 -0.937 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000627352610 356630992 /nfs/dbraw/zinc/63/09/92/356630992.db2.gz BYIDHNWCKCBJKL-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627365203 356632698 /nfs/dbraw/zinc/63/26/98/356632698.db2.gz IQKKNYZHMQMKBQ-GRYCIOLGSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[N@H+](C)C1CC1 ZINC000627372907 356634837 /nfs/dbraw/zinc/63/48/37/356634837.db2.gz ZUZXZMBYYKIXIR-UTUOFQBUSA-N 2 0 296.415 -0.158 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627372143 356634976 /nfs/dbraw/zinc/63/49/76/356634976.db2.gz CZZPURQYMBXDSM-RWMBFGLXSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)C[NH2+]1 ZINC000627291587 356621072 /nfs/dbraw/zinc/62/10/72/356621072.db2.gz YCGXDJQTTCFBHU-PWSUYJOCSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627296007 356621673 /nfs/dbraw/zinc/62/16/73/356621673.db2.gz UIDQZQCGPLFMIC-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000627372479 356635322 /nfs/dbraw/zinc/63/53/22/356635322.db2.gz NCQWWBQFKPFYLL-JTQLQIEISA-N 2 0 270.377 -0.608 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000627304627 356622545 /nfs/dbraw/zinc/62/25/45/356622545.db2.gz AKEPSIGKPVDQJJ-QNWHQSFQSA-N 2 0 296.415 -0.158 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627311938 356623834 /nfs/dbraw/zinc/62/38/34/356623834.db2.gz LGUSZYKCAFWJGZ-RWMBFGLXSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC[N@H+](C)C2CC2)C[NH2+]1 ZINC000627319016 356625549 /nfs/dbraw/zinc/62/55/49/356625549.db2.gz HRWAKTDDCKVMIN-GHMZBOCLSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(CC)CC[NH3+] ZINC000627320730 356625647 /nfs/dbraw/zinc/62/56/47/356625647.db2.gz NAIZXAZCJDQNHP-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NCC[N@H+](C)C2CC2)C[NH2+]1 ZINC000627319017 356625659 /nfs/dbraw/zinc/62/56/59/356625659.db2.gz HRWAKTDDCKVMIN-MNOVXSKESA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[NH2+]1 ZINC000627325454 356626408 /nfs/dbraw/zinc/62/64/08/356626408.db2.gz KPLYJAQLZBWJRB-IJLUTSLNSA-N 2 0 294.399 -0.404 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000627341735 356628876 /nfs/dbraw/zinc/62/88/76/356628876.db2.gz OBSSQAIAKAAIPI-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000627380657 356636558 /nfs/dbraw/zinc/63/65/58/356636558.db2.gz VQGNMSNYMLRTCL-LBPRGKRZSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000627389922 356637093 /nfs/dbraw/zinc/63/70/93/356637093.db2.gz VQOVVAHQMUEPJE-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000627504686 356660462 /nfs/dbraw/zinc/66/04/62/356660462.db2.gz BERGDUCHXMNPJL-VXGBXAGGSA-N 2 0 280.372 -0.839 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627506193 356660868 /nfs/dbraw/zinc/66/08/68/356660868.db2.gz DBIKRYWUOUIEMZ-UPJWGTAASA-N 2 0 294.399 -0.450 20 0 CBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627506016 356660910 /nfs/dbraw/zinc/66/09/10/356660910.db2.gz UETNZJZYXOJFMD-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627507293 356661773 /nfs/dbraw/zinc/66/17/73/356661773.db2.gz LDSLLELSIJQIGI-MNOVXSKESA-N 2 0 268.361 -0.983 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)C[NH2+]1 ZINC000627476710 356653243 /nfs/dbraw/zinc/65/32/43/356653243.db2.gz JYVNWWKDGXMRCF-RYUDHWBXSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627478477 356653698 /nfs/dbraw/zinc/65/36/98/356653698.db2.gz NKKLEVUOPMKCTN-JHJVBQTASA-N 2 0 296.415 -0.156 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627484267 356655550 /nfs/dbraw/zinc/65/55/50/356655550.db2.gz VELBKBBGLCUGSA-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627502054 356659152 /nfs/dbraw/zinc/65/91/52/356659152.db2.gz JEAKJRMAXMVURN-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP O=C(CN1CCC[C@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC000629537145 356777401 /nfs/dbraw/zinc/77/74/01/356777401.db2.gz MONVESVCGFUETQ-CQSZACIVSA-N 2 0 267.373 -0.079 20 0 CBADRP CNC(=O)NC[C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000629554161 356778303 /nfs/dbraw/zinc/77/83/03/356778303.db2.gz BHCBWKVBEIGGIG-VXGBXAGGSA-N 2 0 298.387 -0.863 20 0 CBADRP CCc1nncn1CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629565433 356780774 /nfs/dbraw/zinc/78/07/74/356780774.db2.gz PHPAQYYPOVODLS-GFCCVEGCSA-N 2 0 267.377 -0.113 20 0 CBADRP CN(C)c1ncc(C[NH2+]CCOCCC[NH3+])cn1 ZINC000629399629 356771375 /nfs/dbraw/zinc/77/13/75/356771375.db2.gz IYWCZXUSSBRGDQ-UHFFFAOYSA-N 2 0 253.350 -0.002 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCN[C@H]1CCC[C@H]1[NH3+] ZINC000629512187 356775989 /nfs/dbraw/zinc/77/59/89/356775989.db2.gz BKLNIQPWLYAJDQ-WOPDTQHZSA-N 2 0 254.378 -0.204 20 0 CBADRP CCn1nnc(C)c1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000629513083 356776104 /nfs/dbraw/zinc/77/61/04/356776104.db2.gz UCJJTBUOKUNRSR-GFCCVEGCSA-N 2 0 294.403 -0.107 20 0 CBADRP CNS(=O)(=O)CCC[N@H+](C)CCOCC[NH2+]C ZINC000629571441 356781071 /nfs/dbraw/zinc/78/10/71/356781071.db2.gz MAZBAJDKVOBMGH-UHFFFAOYSA-N 2 0 267.395 -0.907 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629570795 356781080 /nfs/dbraw/zinc/78/10/80/356781080.db2.gz DJCSUWOTYOUDHZ-GFCCVEGCSA-N 3 0 257.378 -0.325 20 0 CBADRP C[C@H]1C[NH2+]CC[C@H]1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629654005 356788682 /nfs/dbraw/zinc/78/86/82/356788682.db2.gz SYDSERITRNAYTP-UWVGGRQHSA-N 3 0 265.361 -0.024 20 0 CBADRP C[C@]1(CNCc2nc(C[NH3+])cc(=O)[nH]2)CC[NH2+]C1 ZINC000629652263 356788719 /nfs/dbraw/zinc/78/87/19/356788719.db2.gz FHNBGPWYWFNFMJ-LBPRGKRZSA-N 2 0 251.334 -0.270 20 0 CBADRP COC[C@]1(C)C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000629673796 356788809 /nfs/dbraw/zinc/78/88/09/356788809.db2.gz IDOCZVHENYBSCU-HIFRSBDPSA-N 2 0 299.415 -0.079 20 0 CBADRP C[C@H]1C[NH2+]CC[C@@H]1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629654006 356788894 /nfs/dbraw/zinc/78/88/94/356788894.db2.gz SYDSERITRNAYTP-VHSXEESVSA-N 3 0 265.361 -0.024 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000629794633 356793634 /nfs/dbraw/zinc/79/36/34/356793634.db2.gz XCPUJGYKXYVQPO-UHFFFAOYSA-N 2 0 298.431 -0.016 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000629797179 356794151 /nfs/dbraw/zinc/79/41/51/356794151.db2.gz WTEMRONVZVPIEY-GFCCVEGCSA-N 2 0 282.388 -0.511 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000629800868 356794932 /nfs/dbraw/zinc/79/49/32/356794932.db2.gz CROHRXCGKLEKOS-GFCCVEGCSA-N 2 0 284.404 -0.406 20 0 CBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CC)CC[NH3+])C1 ZINC000629800658 356795050 /nfs/dbraw/zinc/79/50/50/356795050.db2.gz XZJGGCBCWXFZSD-CYBMUJFWSA-N 2 0 298.431 -0.016 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000629798848 356795079 /nfs/dbraw/zinc/79/50/79/356795079.db2.gz LSQHJNDNRLSSBN-STQMWFEESA-N 2 0 298.431 -0.018 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000629798822 356795220 /nfs/dbraw/zinc/79/52/20/356795220.db2.gz LGYYMTXABFQPRV-VXGBXAGGSA-N 2 0 284.404 -0.408 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000629803200 356796369 /nfs/dbraw/zinc/79/63/69/356796369.db2.gz LNKGXYXDUZBHGH-UHFFFAOYSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000629917408 356809538 /nfs/dbraw/zinc/80/95/38/356809538.db2.gz XSVAAEWZLACOET-NEPJUHHUSA-N 2 0 255.362 -0.489 20 0 CBADRP C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CCC1 ZINC000630002092 356815568 /nfs/dbraw/zinc/81/55/68/356815568.db2.gz OSAXQHOTYCZXCP-GFCCVEGCSA-N 2 0 266.389 -0.365 20 0 CBADRP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629582275 356782312 /nfs/dbraw/zinc/78/23/12/356782312.db2.gz QVUOQMIDNCDDGI-AXFHLTTASA-N 2 0 253.346 -0.297 20 0 CBADRP CCS(=O)(=O)NCCC[N@H+](C)CCOCC[NH3+] ZINC000629581369 356782348 /nfs/dbraw/zinc/78/23/48/356782348.db2.gz YFCQOBJJSVZKFR-UHFFFAOYSA-N 2 0 267.395 -0.777 20 0 CBADRP C[C@]1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CCC(=O)N1 ZINC000629579499 356782441 /nfs/dbraw/zinc/78/24/41/356782441.db2.gz DWHBZQHRMNUUEQ-DGCLKSJQSA-N 2 0 255.362 -0.299 20 0 CBADRP CCN1CCN(C(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+])CC1 ZINC000629578538 356782550 /nfs/dbraw/zinc/78/25/50/356782550.db2.gz QJWYSIYKDDGPHL-CYBMUJFWSA-N 2 0 286.420 -0.554 20 0 CBADRP O[C@H](CNC[C@H](O)C[NH+]1CCCC1)C[NH+]1CCCCC1 ZINC000629582665 356783434 /nfs/dbraw/zinc/78/34/34/356783434.db2.gz HEVKTVHBCMOTAJ-CABCVRRESA-N 2 0 285.432 -0.121 20 0 CBADRP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000629584196 356783803 /nfs/dbraw/zinc/78/38/03/356783803.db2.gz RBEOQHRMZTWWQT-KBPBESRZSA-N 2 0 272.389 -0.180 20 0 CBADRP O[C@@H](CNC[C@H](O)C[NH+]1CCCCC1)C[NH+]1CCCC1 ZINC000629582669 356784005 /nfs/dbraw/zinc/78/40/05/356784005.db2.gz HEVKTVHBCMOTAJ-GJZGRUSLSA-N 2 0 285.432 -0.121 20 0 CBADRP O[C@H](CNCCC[NH+]1CCC(O)CC1)C[NH+]1CCCC1 ZINC000629582390 356784029 /nfs/dbraw/zinc/78/40/29/356784029.db2.gz BMYDJXUIZLLODP-OAHLLOKOSA-N 2 0 285.432 -0.121 20 0 CBADRP O[C@H](C[NH2+]C[C@H](O)C1CCOCC1)C[NH+]1CCCC1 ZINC000629584197 356784315 /nfs/dbraw/zinc/78/43/15/356784315.db2.gz RBEOQHRMZTWWQT-KGLIPLIRSA-N 2 0 272.389 -0.180 20 0 CBADRP Cn1cc(C[C@H](CO)C[NH2+]C[C@H](O)C[NH+]2CCCC2)cn1 ZINC000629593754 356785046 /nfs/dbraw/zinc/78/50/46/356785046.db2.gz JSBAWNVZTKQLGT-GJZGRUSLSA-N 2 0 296.415 -0.383 20 0 CBADRP C[N@H+](C[C@@H](O)CNCC[NH+]1CC[C@@H](O)C1)C1CC1 ZINC000629607373 356785827 /nfs/dbraw/zinc/78/58/27/356785827.db2.gz RWEAJSWVRXJDID-OLZOCXBDSA-N 2 0 257.378 -0.902 20 0 CBADRP O[C@@H](CNCC[N@@H+]1CC[C@@H](O)C1)C[NH+]1CCCC1 ZINC000629606766 356786376 /nfs/dbraw/zinc/78/63/76/356786376.db2.gz MHMUBMLGJGHFEO-OLZOCXBDSA-N 2 0 257.378 -0.901 20 0 CBADRP CC[C@@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)[NH+](C)C ZINC000629611930 356787318 /nfs/dbraw/zinc/78/73/18/356787318.db2.gz KOQAUEABKWZPDD-VIFPVBQESA-N 2 0 281.364 -0.507 20 0 CBADRP O=S1(=O)CCC[C@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000630343681 356835831 /nfs/dbraw/zinc/83/58/31/356835831.db2.gz JBFRGTJRPNFJFJ-NSHDSACASA-N 2 0 261.391 -0.942 20 0 CBADRP CC(C)(C[NH3+])Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000630592425 356853493 /nfs/dbraw/zinc/85/34/93/356853493.db2.gz PPURETODGICNJP-UHFFFAOYSA-N 2 0 266.393 -0.289 20 0 CBADRP c1c(CCN2CC[NH2+]CC2)nnn1C[C@@H]1CCC[NH2+]1 ZINC000630604894 356854390 /nfs/dbraw/zinc/85/43/90/356854390.db2.gz DZEDVLPKTWFIDD-LBPRGKRZSA-N 2 0 264.377 -0.522 20 0 CBADRP c1c(CCN2CC[NH2+]CC2)nnn1C[C@H]1CCC[NH2+]1 ZINC000630604892 356854561 /nfs/dbraw/zinc/85/45/61/356854561.db2.gz DZEDVLPKTWFIDD-GFCCVEGCSA-N 2 0 264.377 -0.522 20 0 CBADRP COC[C@@H]([NH3+])Cc1cn(CC[NH+]2CCCC2)nn1 ZINC000630618062 356856562 /nfs/dbraw/zinc/85/65/62/356856562.db2.gz LMPJPYQKUYUJQT-NSHDSACASA-N 2 0 253.350 -0.110 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000631800027 356907906 /nfs/dbraw/zinc/90/79/06/356907906.db2.gz PDXZQRLXBPQDMY-NSHDSACASA-N 2 0 263.407 -0.048 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)[C@H]1CCN(C2CCC2)C1=O ZINC000631821569 356908894 /nfs/dbraw/zinc/90/88/94/356908894.db2.gz BVSYTVPBLJTLFO-AWEZNQCLSA-N 2 0 280.416 -0.023 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631848870 356912324 /nfs/dbraw/zinc/91/23/24/356912324.db2.gz OKCAMEUQCJGIGO-AJNGGQMLSA-N 2 0 261.369 -0.037 20 0 CBADRP [NH3+]C[C@H]1CCCCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631901945 356918096 /nfs/dbraw/zinc/91/80/96/356918096.db2.gz CMRCLWIRPMXHFM-GHMZBOCLSA-N 2 0 277.390 -0.882 20 0 CBADRP [NH3+][C@H]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000631902663 356918629 /nfs/dbraw/zinc/91/86/29/356918629.db2.gz NUYDCWZJGXAFRP-NSHDSACASA-N 2 0 261.391 -0.165 20 0 CBADRP CCC(CC)(C[NH3+])NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631904376 356919311 /nfs/dbraw/zinc/91/93/11/356919311.db2.gz LYRKVLACMULLGM-JTQLQIEISA-N 2 0 279.406 -0.588 20 0 CBADRP C[NH2+]C1CCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000631904354 356919518 /nfs/dbraw/zinc/91/95/18/356919518.db2.gz LQGXRYHKPWUPTR-UHFFFAOYSA-N 2 0 263.407 -0.048 20 0 CBADRP C[C@H]([NH3+])C1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631903949 356919567 /nfs/dbraw/zinc/91/95/67/356919567.db2.gz ZNZOSQCUMFTRGF-JQWIXIFHSA-N 2 0 291.417 -0.636 20 0 CBADRP CN(CCN1CC[NH2+]CC1)S(=O)(=O)CCC[NH+](C)C ZINC000631903606 356919878 /nfs/dbraw/zinc/91/98/78/356919878.db2.gz NWRGHPPXLPPNQI-UHFFFAOYSA-N 2 0 292.449 -0.895 20 0 CBADRP CN(CC(C)(C)C[NH3+])S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631907373 356921100 /nfs/dbraw/zinc/92/11/00/356921100.db2.gz JPBCPAXFXXCAOA-JTQLQIEISA-N 2 0 279.406 -0.779 20 0 CBADRP C[NH2+]C[C@H]1CCCN1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631907489 356921210 /nfs/dbraw/zinc/92/12/10/356921210.db2.gz LTVYWAOJHWWRIP-GFCCVEGCSA-N 2 0 290.433 -0.401 20 0 CBADRP CCCC[C@@H](C[NH3+])NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631907145 356921220 /nfs/dbraw/zinc/92/12/20/356921220.db2.gz DVKVNUCTIJKLJJ-WDEREUQCSA-N 2 0 279.406 -0.588 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631929308 356923860 /nfs/dbraw/zinc/92/38/60/356923860.db2.gz BUCNVFGSBHQVPS-WDEREUQCSA-N 2 0 290.433 -0.403 20 0 CBADRP CC(C)[C@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000631930346 356924720 /nfs/dbraw/zinc/92/47/20/356924720.db2.gz GJHUJFBUTDPEDN-NWDGAFQWSA-N 2 0 291.417 -0.766 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000631931552 356924864 /nfs/dbraw/zinc/92/48/64/356924864.db2.gz KZWDVPCDVDCIRC-VXGBXAGGSA-N 2 0 275.418 -0.048 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631930651 356925037 /nfs/dbraw/zinc/92/50/37/356925037.db2.gz SYIZNPLMHYALEK-OUAUKWLOSA-N 2 0 277.390 -0.836 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631930652 356925079 /nfs/dbraw/zinc/92/50/79/356925079.db2.gz SYIZNPLMHYALEK-VWYCJHECSA-N 2 0 277.390 -0.836 20 0 CBADRP C[C@@H]1C[C@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000631931924 356925121 /nfs/dbraw/zinc/92/51/21/356925121.db2.gz JZWVQABRVYAXLY-GMTAPVOTSA-N 2 0 277.390 -0.965 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)CCC[NH+](C)C)[C@H](C)C[NH2+]1 ZINC000631930155 356925269 /nfs/dbraw/zinc/92/52/69/356925269.db2.gz YLIREWKXFZTPFW-GHMZBOCLSA-N 2 0 263.407 -0.050 20 0 CBADRP C[C@@H]1C[C@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000631931929 356925291 /nfs/dbraw/zinc/92/52/91/356925291.db2.gz JZWVQABRVYAXLY-MXWKQRLJSA-N 2 0 277.390 -0.965 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@@H]([NH3+])C1CC1 ZINC000631932683 356926059 /nfs/dbraw/zinc/92/60/59/356926059.db2.gz XTYNCLTZXVLMRB-LLVKDONJSA-N 2 0 276.406 -0.758 20 0 CBADRP COCC[NH2+]CCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631933401 356926087 /nfs/dbraw/zinc/92/60/87/356926087.db2.gz KWEUHCADPWANAU-UHFFFAOYSA-N 2 0 293.433 -0.372 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)CCC[NH+](C)C)C1 ZINC000631932543 356926307 /nfs/dbraw/zinc/92/63/07/356926307.db2.gz WFAUHTPWQUXWIT-GHMZBOCLSA-N 2 0 263.407 -0.063 20 0 CBADRP CC[NH2+][C@H](C)CNS(=O)(=O)CCC[NH+](C)C ZINC000631934308 356927046 /nfs/dbraw/zinc/92/70/46/356927046.db2.gz WEUSZMOCORQOMQ-SNVBAGLBSA-N 2 0 251.396 -0.145 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)CCC[NH+](C)C ZINC000631935167 356927135 /nfs/dbraw/zinc/92/71/35/356927135.db2.gz DTSWHJHDRXLBOI-WDEREUQCSA-N 2 0 263.407 -0.050 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631935736 356927925 /nfs/dbraw/zinc/92/79/25/356927925.db2.gz ZEKZSMLYYZAVLE-PWSUYJOCSA-N 2 0 290.433 -0.497 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631935865 356928081 /nfs/dbraw/zinc/92/80/81/356928081.db2.gz OEUBLTZKANGRND-DCAQKATOSA-N 2 0 277.390 -0.965 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000631939286 356928775 /nfs/dbraw/zinc/92/87/75/356928775.db2.gz WWGGHUCBQYPMSO-UWVGGRQHSA-N 2 0 294.396 -0.795 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000631938958 356928781 /nfs/dbraw/zinc/92/87/81/356928781.db2.gz PSYDGNQMSBOMLJ-NWDGAFQWSA-N 2 0 275.418 -0.048 20 0 CBADRP C[C@@H](CCCC[NH3+])NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631939250 356928881 /nfs/dbraw/zinc/92/88/81/356928881.db2.gz WCOWZXNAPNCBKY-WDEREUQCSA-N 2 0 279.406 -0.588 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NCCC[NH2+]C1CC1 ZINC000631942161 356929452 /nfs/dbraw/zinc/92/94/52/356929452.db2.gz QPZGMXYQYLXYFA-UHFFFAOYSA-N 2 0 263.407 0.000 20 0 CBADRP CC1(NS(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[NH2+]CC1 ZINC000631941760 356929462 /nfs/dbraw/zinc/92/94/62/356929462.db2.gz GJQCJXKNTMGENC-SNVBAGLBSA-N 2 0 277.390 -0.964 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000631941901 356929803 /nfs/dbraw/zinc/92/98/03/356929803.db2.gz KHYYFWQJBWWUFE-UHFFFAOYSA-N 2 0 263.407 0.000 20 0 CBADRP C[C@@H](NS(=O)(=O)N(C)C1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000631940425 356929868 /nfs/dbraw/zinc/92/98/68/356929868.db2.gz VWWAUQBSVZAKNM-DTWKUNHWSA-N 2 0 264.395 -0.760 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C[C@@]1(C)C[NH3+] ZINC000631944087 356930525 /nfs/dbraw/zinc/93/05/25/356930525.db2.gz NWQDILFEZIPNON-IJLUTSLNSA-N 2 0 291.417 -0.779 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C[C@@]1(C)C[NH3+] ZINC000631944086 356930580 /nfs/dbraw/zinc/93/05/80/356930580.db2.gz NWQDILFEZIPNON-GRYCIOLGSA-N 2 0 291.417 -0.779 20 0 CBADRP O=S(=O)(CCC[NH+]1CCCC1)NC[C@H]1C[NH2+]CCO1 ZINC000631943885 356930976 /nfs/dbraw/zinc/93/09/76/356930976.db2.gz IGYWHLHXMSZAIH-GFCCVEGCSA-N 2 0 291.417 -0.620 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)CCC[NH+](C)C ZINC000631946972 356931443 /nfs/dbraw/zinc/93/14/43/356931443.db2.gz PRYLMOGLUIPSMZ-NXEZZACHSA-N 2 0 251.396 -0.017 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631947153 356931624 /nfs/dbraw/zinc/93/16/24/356931624.db2.gz VVVOHXUDBLPVFW-AEJSXWLSSA-N 2 0 265.379 -0.980 20 0 CBADRP CN(CC(C)(C)[NH3+])S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631949418 356931989 /nfs/dbraw/zinc/93/19/89/356931989.db2.gz GFNBRCVNIRKYRS-UHFFFAOYSA-N 2 0 278.422 -0.416 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000631952271 356933016 /nfs/dbraw/zinc/93/30/16/356933016.db2.gz BZYKGGGUHZLZSI-NXEZZACHSA-N 2 0 267.370 -0.361 20 0 CBADRP [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)C[C@@H]1C[NH2+]CCO1)C2 ZINC000631953833 356933616 /nfs/dbraw/zinc/93/36/16/356933616.db2.gz TXWNKRHDSRLEPH-WOPDTQHZSA-N 2 0 289.401 -0.882 20 0 CBADRP C[NH2+]CCOCCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631954529 356934241 /nfs/dbraw/zinc/93/42/41/356934241.db2.gz OYKLZRLDKFEHSQ-UHFFFAOYSA-N 2 0 293.433 -0.372 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631981519 356938833 /nfs/dbraw/zinc/93/88/33/356938833.db2.gz WZTPZMHFZFFRIZ-NEPJUHHUSA-N 2 0 275.418 0.000 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NCC[NH+]1CCCC1 ZINC000631679941 356901476 /nfs/dbraw/zinc/90/14/76/356901476.db2.gz LQUGFHAKOGSOPZ-UHFFFAOYSA-N 2 0 263.407 -0.047 20 0 CBADRP COCC[N@@H+]1CC[C@H](NS(=O)(=O)CCC[NH+](C)C)C1 ZINC000632255456 356964537 /nfs/dbraw/zinc/96/45/37/356964537.db2.gz TUVMLXVHZDHWLX-LBPRGKRZSA-N 2 0 293.433 -0.422 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CC(C[NH+](C)C)C1 ZINC000632383222 356981298 /nfs/dbraw/zinc/98/12/98/356981298.db2.gz ZZEMMYJBKQRNPP-UHFFFAOYSA-N 2 0 263.407 -0.239 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](C)C2)CC[N@@H+]1C ZINC000632472637 356993021 /nfs/dbraw/zinc/99/30/21/356993021.db2.gz AVAGAZWMKSNMSK-OUCADQQQSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](C)C2)CC[N@@H+]1C ZINC000632472638 356993215 /nfs/dbraw/zinc/99/32/15/356993215.db2.gz AVAGAZWMKSNMSK-SCRDCRAPSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N[C@@H](CO)C[NH+](C)C)cn1 ZINC000633072135 357039461 /nfs/dbraw/zinc/03/94/61/357039461.db2.gz MJDXHAOBIDLTAK-GFCCVEGCSA-N 2 0 283.376 -0.903 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633078145 357040714 /nfs/dbraw/zinc/04/07/14/357040714.db2.gz HZCCAGGAMSZYDS-BETUJISGSA-N 2 0 294.399 -0.497 20 0 CBADRP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@@H+]1C ZINC000633095338 357044664 /nfs/dbraw/zinc/04/46/64/357044664.db2.gz UVGCQVCAZJKCBK-CYDGBPFRSA-N 2 0 294.399 -0.500 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)C1 ZINC000633116096 357049465 /nfs/dbraw/zinc/04/94/65/357049465.db2.gz OXVLGYGTFGCTHO-FRRDWIJNSA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000633116123 357049475 /nfs/dbraw/zinc/04/94/75/357049475.db2.gz PFSBXIBAOJFHTC-UTUOFQBUSA-N 2 0 282.388 -0.513 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000633117206 357050065 /nfs/dbraw/zinc/05/00/65/357050065.db2.gz AWHNWZOSWYDVAO-MNOVXSKESA-N 2 0 282.388 -0.513 20 0 CBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000633118310 357050071 /nfs/dbraw/zinc/05/00/71/357050071.db2.gz JNBSLAJAJUVFCJ-VXGBXAGGSA-N 2 0 296.415 -0.077 20 0 CBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000633118309 357050284 /nfs/dbraw/zinc/05/02/84/357050284.db2.gz JNBSLAJAJUVFCJ-RYUDHWBXSA-N 2 0 296.415 -0.077 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)C1 ZINC000633150579 357052767 /nfs/dbraw/zinc/05/27/67/357052767.db2.gz ZWRAWSADCBQMAP-AGIUHOORSA-N 2 0 296.415 -0.265 20 0 CBADRP CN1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000634272320 357113620 /nfs/dbraw/zinc/11/36/20/357113620.db2.gz ZWBFMWPLPQGJHQ-RYUDHWBXSA-N 2 0 269.393 -0.587 20 0 CBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000634752551 357133104 /nfs/dbraw/zinc/13/31/04/357133104.db2.gz ODBFJSSWZGZXNR-WDEREUQCSA-N 2 0 255.362 -0.131 20 0 CBADRP O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@H]1C[NH2+]CCOC1 ZINC000634769171 357134002 /nfs/dbraw/zinc/13/40/02/357134002.db2.gz ORQNPPGTABMZSH-LOWVWBTDSA-N 2 0 253.346 -0.519 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000634768410 357134257 /nfs/dbraw/zinc/13/42/57/357134257.db2.gz IVWPOFYCEHTAPO-HIFRSBDPSA-N 2 0 280.416 -0.118 20 0 CBADRP C[C@H](C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)[NH+](C)C ZINC000635533231 357173357 /nfs/dbraw/zinc/17/33/57/357173357.db2.gz OWUHALVNVPKPAC-NWDGAFQWSA-N 2 0 256.394 -0.311 20 0 CBADRP C[C@H](C(=O)NC[C@H](NC(=O)[C@@H](C)[NH+](C)C)C1CC1)[NH+](C)C ZINC000635463539 357165387 /nfs/dbraw/zinc/16/53/87/357165387.db2.gz QMIRWSZZPMOZEB-WZRBSPASSA-N 2 0 298.431 -0.102 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])C[NH+]1CCCC1 ZINC000419839926 295942257 /nfs/dbraw/zinc/94/22/57/295942257.db2.gz YYQVJJZBWPLOCX-NSHDSACASA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH2+]C[C@H](O)CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719886 357129027 /nfs/dbraw/zinc/12/90/27/357129027.db2.gz AXNGGKZWSARGQH-HOTGVXAUSA-N 2 0 293.411 -0.207 20 0 CBADRP C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC000635704535 357195091 /nfs/dbraw/zinc/19/50/91/357195091.db2.gz WAGPRNNMTKBYKN-OLZOCXBDSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+]1CC[C@](O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000635801221 357210120 /nfs/dbraw/zinc/21/01/20/357210120.db2.gz HHLNZCGMWCJLMR-YPMHNXCESA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@H](C(=O)NCCN(C)C(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000635835072 357215700 /nfs/dbraw/zinc/21/57/00/357215700.db2.gz RIIJUAKAUIUNLR-GHMZBOCLSA-N 2 0 272.393 -0.539 20 0 CBADRP C[C@H](C(=O)N[C@@H](C)[C@H](C)NC(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000635866251 357221068 /nfs/dbraw/zinc/22/10/68/357221068.db2.gz QPWMIRMHPXCPKI-NNYUYHANSA-N 2 0 286.420 -0.104 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000635928429 357234145 /nfs/dbraw/zinc/23/41/45/357234145.db2.gz GHXHJHYGGWPXIK-HZSPNIEDSA-N 2 0 281.400 -0.004 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000635928435 357234973 /nfs/dbraw/zinc/23/49/73/357234973.db2.gz GKHVCKKXIWMIMT-CHWSQXEVSA-N 2 0 281.400 -0.004 20 0 CBADRP C[NH+](C)C[C@H](CO)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635928588 357235202 /nfs/dbraw/zinc/23/52/02/357235202.db2.gz JKFDEAZJSNJUEN-GFCCVEGCSA-N 2 0 287.404 -0.617 20 0 CBADRP C[C@H](C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000635928456 357235206 /nfs/dbraw/zinc/23/52/06/357235206.db2.gz GPFUKRFWVZOCBB-IJLUTSLNSA-N 2 0 255.362 -0.396 20 0 CBADRP C[C@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[NH+](C)C ZINC000635558527 357176277 /nfs/dbraw/zinc/17/62/77/357176277.db2.gz AIIWVSKPJUUJHC-QWHCGFSZSA-N 2 0 270.421 -0.064 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000636645217 357295347 /nfs/dbraw/zinc/29/53/47/357295347.db2.gz NSIRXJVMMQXLSI-RYUDHWBXSA-N 2 0 270.377 -0.554 20 0 CBADRP CC[N@H+](CCNC(=O)NCC[NH+]1CC[C@H](O)C1)C1CC1 ZINC000636716831 357297422 /nfs/dbraw/zinc/29/74/22/357297422.db2.gz WPFJLBRTBKWXAN-ZDUSSCGKSA-N 2 0 284.404 -0.164 20 0 CBADRP C[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCO)[NH+](C)C ZINC000635976765 357243527 /nfs/dbraw/zinc/24/35/27/357243527.db2.gz MVSKBAWZZRDCGE-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CCN1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1=O ZINC000636120159 357264637 /nfs/dbraw/zinc/26/46/37/357264637.db2.gz NJDONTLHFDUGKP-CYBMUJFWSA-N 2 0 296.415 -0.439 20 0 CBADRP CN1CCOC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636278937 357275685 /nfs/dbraw/zinc/27/56/85/357275685.db2.gz CHVQUOZPLQDEQI-NEPJUHHUSA-N 2 0 255.362 -0.225 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000637811962 357369269 /nfs/dbraw/zinc/36/92/69/357369269.db2.gz UCMDZMNLFMTBRM-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP C[C@H](NC(=O)CN1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000637820960 357371019 /nfs/dbraw/zinc/37/10/19/357371019.db2.gz RTXUVXVITFUOBS-RYUDHWBXSA-N 2 0 254.378 -0.604 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH3+])C1 ZINC000637822387 357371326 /nfs/dbraw/zinc/37/13/26/357371326.db2.gz KGBKZQLKHHTPOY-CYBMUJFWSA-N 2 0 287.404 -0.222 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2CCC[NH2+]2)cn1 ZINC000637827033 357371357 /nfs/dbraw/zinc/37/13/57/357371357.db2.gz MGEMKTKSHBMNON-GFCCVEGCSA-N 2 0 265.361 -0.074 20 0 CBADRP [NH3+]C[C@@]1(C(=O)NCC[C@H]2CC[NH2+]C2)CCCOC1 ZINC000637832842 357372547 /nfs/dbraw/zinc/37/25/47/357372547.db2.gz LEKSDQARQSDFRC-YPMHNXCESA-N 2 0 255.362 -0.142 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)CCN2CC[NH2+]CC2)C1 ZINC000637833438 357373672 /nfs/dbraw/zinc/37/36/72/357373672.db2.gz RQQQKVYDFDRZIC-JSGCOSHPSA-N 2 0 284.404 -0.883 20 0 CBADRP CC[N@H+]1C[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)[C@@H](C)C1 ZINC000636912585 357311712 /nfs/dbraw/zinc/31/17/12/357311712.db2.gz KGWXIQCNNNCLRY-XQQFMLRXSA-N 2 0 284.404 -0.308 20 0 CBADRP CC(C)[C@@H]1CN(C(=O)NCCN2CC[NH2+]CC2)CC[N@@H+]1C ZINC000637039220 357319069 /nfs/dbraw/zinc/31/90/69/357319069.db2.gz SSLCZOZANMPMAB-AWEZNQCLSA-N 2 0 297.447 -0.127 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1CCc2[nH]cnc2C1 ZINC000637157299 357327040 /nfs/dbraw/zinc/32/70/40/357327040.db2.gz SNPIRDBTCNZAHV-GHMZBOCLSA-N 2 0 293.371 -0.367 20 0 CBADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+](C)C ZINC000637196708 357329829 /nfs/dbraw/zinc/32/98/29/357329829.db2.gz VRUFEJRYATUPDV-RYUDHWBXSA-N 2 0 299.419 -0.425 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000637846790 357376120 /nfs/dbraw/zinc/37/61/20/357376120.db2.gz DIROOWIAXGQERA-LOWVWBTDSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC000637848549 357376194 /nfs/dbraw/zinc/37/61/94/357376194.db2.gz UBRTZIJTXCFRAV-VXGBXAGGSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@H]1CCCN(C(=O)CN2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC000637848547 357376256 /nfs/dbraw/zinc/37/62/56/357376256.db2.gz UBRTZIJTXCFRAV-RYUDHWBXSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000637847065 357376474 /nfs/dbraw/zinc/37/64/74/357376474.db2.gz FZXGOVSJXBFRNN-VXGBXAGGSA-N 2 0 254.378 -0.523 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000637857731 357376997 /nfs/dbraw/zinc/37/69/97/357376997.db2.gz ZJLTWSLFIPMING-UHFFFAOYSA-N 2 0 280.416 -0.118 20 0 CBADRP [NH3+]C[C@]1(C(=O)NCCCN2CC[NH2+]CC2)CCCOC1 ZINC000637797779 357364285 /nfs/dbraw/zinc/36/42/85/357364285.db2.gz IYPCUXFSUYPQOM-CQSZACIVSA-N 2 0 284.404 -0.847 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000637798958 357365104 /nfs/dbraw/zinc/36/51/04/357365104.db2.gz RJBHSADQFZYSAB-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CC[NH2+]CC2)c1 ZINC000637800617 357365638 /nfs/dbraw/zinc/36/56/38/357365638.db2.gz GIHKICRRGDYPIY-CYBMUJFWSA-N 2 0 263.341 -0.003 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000637800056 357365871 /nfs/dbraw/zinc/36/58/71/357365871.db2.gz WVQLLHPZMRIWAO-LBPRGKRZSA-N 2 0 254.378 -0.650 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N2CC[NH2+]CC2)cn1 ZINC000637800862 357366390 /nfs/dbraw/zinc/36/63/90/357366390.db2.gz ITRWHMKECGPXNF-UHFFFAOYSA-N 2 0 251.334 -0.510 20 0 CBADRP COC[C@@]1(C(=O)N2CCC[NH2+]CC2)CCCC[NH2+]1 ZINC000637804189 357367027 /nfs/dbraw/zinc/36/70/27/357367027.db2.gz VLDXUWASNCFBBT-CYBMUJFWSA-N 2 0 255.362 -0.033 20 0 CBADRP CC1(C)CN(C(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1CCO ZINC000637808706 357367432 /nfs/dbraw/zinc/36/74/32/357367432.db2.gz CHBSAPLSOLQPBE-NSHDSACASA-N 2 0 270.377 -0.554 20 0 CBADRP CC(C)CC[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000637809807 357367491 /nfs/dbraw/zinc/36/74/91/357367491.db2.gz FUZZGNSNYKQJFT-NSHDSACASA-N 2 0 270.377 -0.702 20 0 CBADRP CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000637809226 357368049 /nfs/dbraw/zinc/36/80/49/357368049.db2.gz NJZFPHWJKDBXNH-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N(C)CC(=O)N2CC[NH2+]CC2)CC[N@@H+]1C ZINC000637811332 357368349 /nfs/dbraw/zinc/36/83/49/357368349.db2.gz SEKRJYZDXZYVOB-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000638238837 357440985 /nfs/dbraw/zinc/44/09/85/357440985.db2.gz CRHJIYYYGJMQLA-AWEZNQCLSA-N 2 0 280.416 -0.260 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000638236956 357441647 /nfs/dbraw/zinc/44/16/47/357441647.db2.gz MMVXMERAPIZRGL-VXGBXAGGSA-N 2 0 254.378 -0.510 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[NH+]2CCCC2)C1 ZINC000638055190 357405920 /nfs/dbraw/zinc/40/59/20/357405920.db2.gz GKCPIHSBAVAIAE-AAEUAGOBSA-N 2 0 255.362 -0.035 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[NH+]2CCCC2)C1 ZINC000638055192 357406737 /nfs/dbraw/zinc/40/67/37/357406737.db2.gz GKCPIHSBAVAIAE-WCQYABFASA-N 2 0 255.362 -0.035 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638058538 357407768 /nfs/dbraw/zinc/40/77/68/357407768.db2.gz QWOILWLWLYMVJI-HIFRSBDPSA-N 2 0 299.415 -0.162 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@]2(C)C[NH2+]CCO2)C[C@H](C)O1 ZINC000638060526 357407878 /nfs/dbraw/zinc/40/78/78/357407878.db2.gz NAOORPLKXBXGSQ-GUTXKFCHSA-N 2 0 299.415 -0.020 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000638067501 357408616 /nfs/dbraw/zinc/40/86/16/357408616.db2.gz RITVDMYHVXGADG-HIFRSBDPSA-N 2 0 299.415 -0.018 20 0 CBADRP [NH3+]C[C@]1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCCOC1 ZINC000638242261 357442222 /nfs/dbraw/zinc/44/22/22/357442222.db2.gz WBMLYQZDAUSRPD-UKRRQHHQSA-N 2 0 296.415 -0.752 20 0 CBADRP [NH3+]C[C@@]1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCCOC1 ZINC000638242262 357442234 /nfs/dbraw/zinc/44/22/34/357442234.db2.gz WBMLYQZDAUSRPD-ZFWWWQNUSA-N 2 0 296.415 -0.752 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000638071520 357409862 /nfs/dbraw/zinc/40/98/62/357409862.db2.gz GEDPIDBLKHREGM-BXUZGUMPSA-N 2 0 267.373 -0.035 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC000638069929 357410128 /nfs/dbraw/zinc/41/01/28/357410128.db2.gz NQAPPOGIBBNRBX-HIFRSBDPSA-N 2 0 299.415 -0.284 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)CN2CC[NH2+]CC2)CCSC1 ZINC000638070293 357410130 /nfs/dbraw/zinc/41/01/30/357410130.db2.gz XWAYDCVRHMJFQW-ZDUSSCGKSA-N 2 0 286.445 -0.555 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638071418 357410176 /nfs/dbraw/zinc/41/01/76/357410176.db2.gz JJSWFGRZCHXCIX-AWEZNQCLSA-N 2 0 287.404 -0.174 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)C1CC1 ZINC000638075711 357410651 /nfs/dbraw/zinc/41/06/51/357410651.db2.gz HCJBOLDTCAFTPX-WCQYABFASA-N 2 0 255.362 -0.179 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000638248212 357444241 /nfs/dbraw/zinc/44/42/41/357444241.db2.gz YGOVZPOSUBALBY-UHFFFAOYSA-N 2 0 266.389 -0.506 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638071664 357411293 /nfs/dbraw/zinc/41/12/93/357411293.db2.gz HDVNZHPQXFVIQC-AAEUAGOBSA-N 2 0 255.362 -0.177 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638078719 357412689 /nfs/dbraw/zinc/41/26/89/357412689.db2.gz MTNVFVVVZHPYNJ-YPMHNXCESA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]C[C@@]1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCCOC1 ZINC000638242260 357442389 /nfs/dbraw/zinc/44/23/89/357442389.db2.gz WBMLYQZDAUSRPD-HIFRSBDPSA-N 2 0 296.415 -0.752 20 0 CBADRP [NH3+]Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000638085033 357413502 /nfs/dbraw/zinc/41/35/02/357413502.db2.gz NSXFRJWIOCMUAW-SNVBAGLBSA-N 2 0 261.329 -0.098 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)[C@]2(C)C[NH2+]CCO2)cn1 ZINC000638091114 357414833 /nfs/dbraw/zinc/41/48/33/357414833.db2.gz QBKYUDIDPYRHFI-ZDUSSCGKSA-N 2 0 281.360 -0.238 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638098194 357416009 /nfs/dbraw/zinc/41/60/09/357416009.db2.gz FBXYNOOWPYFJRG-SDDRHHMPSA-N 2 0 271.361 -0.670 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)C1 ZINC000638098785 357417278 /nfs/dbraw/zinc/41/72/78/357417278.db2.gz CQDRVHOZIXMFFS-SCRDCRAPSA-N 2 0 285.388 -0.410 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000638102870 357417940 /nfs/dbraw/zinc/41/79/40/357417940.db2.gz XGCOMVDZRKXEMH-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638102065 357418645 /nfs/dbraw/zinc/41/86/45/357418645.db2.gz XJVZOWRBISDELL-DZGCQCFKSA-N 2 0 299.415 -0.031 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@@]2(C[NH3+])CCCOC2)CCOCC1 ZINC000638110313 357420649 /nfs/dbraw/zinc/42/06/49/357420649.db2.gz DEOKBMQLHUAWFZ-CQSZACIVSA-N 2 0 299.415 -0.031 20 0 CBADRP COc1cccc(C[C@H]([NH3+])C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000638246184 357442791 /nfs/dbraw/zinc/44/27/91/357442791.db2.gz SCIPNEFISORIOK-RFQIPJPRSA-N 2 0 275.352 -0.101 20 0 CBADRP C[C@H]1C[C@H](N(C)C(=O)CN2CC[NH2+]CC2)CC[N@@H+]1C ZINC000638124314 357422251 /nfs/dbraw/zinc/42/22/51/357422251.db2.gz SKXFZUJCGTWOOW-QWHCGFSZSA-N 2 0 268.405 -0.167 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638127545 357422555 /nfs/dbraw/zinc/42/25/55/357422555.db2.gz CPBJFQKSUFXGJU-HNNXBMFYSA-N 2 0 298.431 -0.493 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638127373 357423059 /nfs/dbraw/zinc/42/30/59/357423059.db2.gz VKHUPAOFVLHBCK-YPMHNXCESA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)C[NH2+]CCO1 ZINC000638127362 357423385 /nfs/dbraw/zinc/42/33/85/357423385.db2.gz VGZDJLMPMBSFBP-DZGCQCFKSA-N 2 0 297.399 -0.454 20 0 CBADRP C[C@]1(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C[NH2+]CCO1 ZINC000638133171 357423764 /nfs/dbraw/zinc/42/37/64/357423764.db2.gz ITUBEAAFEZOFCM-DZGCQCFKSA-N 2 0 297.399 -0.454 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000638135481 357423886 /nfs/dbraw/zinc/42/38/86/357423886.db2.gz BTSXGYWMJIKHIP-OCCSQVGLSA-N 2 0 284.404 -0.883 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000638135482 357424050 /nfs/dbraw/zinc/42/40/50/357424050.db2.gz BTSXGYWMJIKHIP-TZMCWYRMSA-N 2 0 284.404 -0.883 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638137707 357424284 /nfs/dbraw/zinc/42/42/84/357424284.db2.gz ZPOBOZLBJQOMHP-AWEZNQCLSA-N 2 0 284.404 -0.881 20 0 CBADRP C[C@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)C[NH+]1CCN(C)CC1 ZINC000638137518 357424464 /nfs/dbraw/zinc/42/44/64/357424464.db2.gz KLJWKUXEROIEGU-HIFRSBDPSA-N 2 0 298.431 -0.635 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000638141667 357425224 /nfs/dbraw/zinc/42/52/24/357425224.db2.gz UVXSJHLJYMSNAE-YDHLFZDLSA-N 2 0 298.431 -0.495 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000638146587 357426520 /nfs/dbraw/zinc/42/65/20/357426520.db2.gz UUDABNVGWZPKHC-KBPBESRZSA-N 2 0 280.416 -0.118 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000638146593 357426561 /nfs/dbraw/zinc/42/65/61/357426561.db2.gz UUDABNVGWZPKHC-ZIAGYGMSSA-N 2 0 280.416 -0.118 20 0 CBADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCC1C[NH2+]C1 ZINC000638154164 357426865 /nfs/dbraw/zinc/42/68/65/357426865.db2.gz RRWPKFFPQHSKAV-AWEZNQCLSA-N 2 0 276.384 -0.219 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638158609 357428175 /nfs/dbraw/zinc/42/81/75/357428175.db2.gz RBXVBSKWLXEQMP-LOWVWBTDSA-N 2 0 255.362 -0.062 20 0 CBADRP CC1(C)CN(C(=O)N[C@H](C[NH3+])C2CC2)CC[N@@H+]1CCO ZINC000638164112 357429181 /nfs/dbraw/zinc/42/91/81/357429181.db2.gz BDRLUEKVMHPNKZ-GFCCVEGCSA-N 2 0 284.404 -0.178 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000638168482 357430407 /nfs/dbraw/zinc/43/04/07/357430407.db2.gz ANYZRPPEPJYUEL-UBHSHLNASA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]CCN(Cc1ccccc1)C(=O)CN1CC[NH2+]CC1 ZINC000638171347 357431050 /nfs/dbraw/zinc/43/10/50/357431050.db2.gz UDUUMNMVRDSJID-UHFFFAOYSA-N 2 0 276.384 -0.121 20 0 CBADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000638172444 357431605 /nfs/dbraw/zinc/43/16/05/357431605.db2.gz OOKFDTITZBCBQA-UONOGXRCSA-N 2 0 293.367 -0.249 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000638202471 357433876 /nfs/dbraw/zinc/43/38/76/357433876.db2.gz QJKGEJBUAAIIFL-ZPFDUUQYSA-N 2 0 255.362 -0.132 20 0 CBADRP [NH3+]C[C@]1(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CCCOC1 ZINC000638203514 357434131 /nfs/dbraw/zinc/43/41/31/357434131.db2.gz VBKZGMVKMFQOHV-OUCADQQQSA-N 2 0 267.373 -0.048 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000638210067 357434743 /nfs/dbraw/zinc/43/47/43/357434743.db2.gz MMFLKBZUYQOPEJ-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000638206851 357434866 /nfs/dbraw/zinc/43/48/66/357434866.db2.gz LOWWIARDXAJWMB-NTZNESFSSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000638210073 357435231 /nfs/dbraw/zinc/43/52/31/357435231.db2.gz MMFLKBZUYQOPEJ-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)CC[NH2+]1 ZINC000638212106 357435449 /nfs/dbraw/zinc/43/54/49/357435449.db2.gz VKRSCLMEIXMXHC-NQBHXWOUSA-N 2 0 255.362 -0.001 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000638213934 357435519 /nfs/dbraw/zinc/43/55/19/357435519.db2.gz SHEUDVLVNHETTK-LSCVPOLPSA-N 2 0 253.346 -0.569 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@]2(C[NH3+])CCCOC2)CC[NH2+]1 ZINC000638212105 357435555 /nfs/dbraw/zinc/43/55/55/357435555.db2.gz VKRSCLMEIXMXHC-MDZLAQPJSA-N 2 0 255.362 -0.001 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000638220767 357436471 /nfs/dbraw/zinc/43/64/71/357436471.db2.gz SFAFEQZTAKNCEV-CYZMBNFOSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638226174 357436794 /nfs/dbraw/zinc/43/67/94/357436794.db2.gz LAEIFZQRSFVMOC-NNYUYHANSA-N 2 0 252.362 -0.025 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)CC1 ZINC000638226356 357437661 /nfs/dbraw/zinc/43/76/61/357437661.db2.gz HSFWKNLGHPAPGU-NEPJUHHUSA-N 2 0 267.373 -0.083 20 0 CBADRP [NH3+]C[C@]1(C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)CCCOC1 ZINC000638228449 357437934 /nfs/dbraw/zinc/43/79/34/357437934.db2.gz WHMZSUPBJYJRAP-OUCADQQQSA-N 2 0 283.372 -0.669 20 0 CBADRP C[C@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[NH+](C)C ZINC000638227990 357438157 /nfs/dbraw/zinc/43/81/57/357438157.db2.gz VKGFCEYUOVTQTO-NEPJUHHUSA-N 2 0 254.378 -0.557 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cn1 ZINC000638249427 357443782 /nfs/dbraw/zinc/44/37/82/357443782.db2.gz YCQZQJGOAUSKLR-RYUDHWBXSA-N 2 0 283.351 -0.126 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CCCC[NH2+]1 ZINC000638249346 357443834 /nfs/dbraw/zinc/44/38/34/357443834.db2.gz XDUGQCADVARTSY-GMXVVIOVSA-N 2 0 273.352 -0.039 20 0 CBADRP COC[C@@]1(CNC(=O)CCC2C[NH2+]C2)CCC[NH2+]1 ZINC000638229704 357438988 /nfs/dbraw/zinc/43/89/88/357438988.db2.gz GQUNLJLSUYEFID-ZDUSSCGKSA-N 2 0 255.362 -0.129 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC[N@@H+]1C ZINC000637864028 357378778 /nfs/dbraw/zinc/37/87/78/357378778.db2.gz KLTVCFYWXYXYRH-RWMBFGLXSA-N 2 0 268.405 -0.182 20 0 CBADRP CN1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](C[NH3+])C1 ZINC000637866348 357379178 /nfs/dbraw/zinc/37/91/78/357379178.db2.gz KXRNSONKKJYAQN-RYUDHWBXSA-N 2 0 254.378 -0.571 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@]2(C[NH3+])CCCOC2)CCO1 ZINC000637865447 357379311 /nfs/dbraw/zinc/37/93/11/357379311.db2.gz FISRBEAQYVBLPY-LOWVWBTDSA-N 2 0 271.361 -0.684 20 0 CBADRP CN1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C[NH3+])C1 ZINC000637864162 357379587 /nfs/dbraw/zinc/37/95/87/357379587.db2.gz NXRWKANHCTUFFC-CYBMUJFWSA-N 2 0 294.403 -0.840 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CCO1 ZINC000637868355 357380550 /nfs/dbraw/zinc/38/05/50/357380550.db2.gz XLBSAGWYDVQATQ-OLZOCXBDSA-N 2 0 299.415 -0.081 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000638571388 357495506 /nfs/dbraw/zinc/49/55/06/357495506.db2.gz PQRSZMWJFKLSGD-STQMWFEESA-N 2 0 296.415 -0.168 20 0 CBADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCCOCC[NH2+]C)C1(C)C ZINC000638579083 357497692 /nfs/dbraw/zinc/49/76/92/357497692.db2.gz LZCMAWQLHGYSPL-FZMZJTMJSA-N 2 0 287.404 -0.129 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638594194 357499415 /nfs/dbraw/zinc/49/94/15/357499415.db2.gz LMAOIOPTHRZXSP-WCQYABFASA-N 2 0 273.377 -0.552 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000638591544 357499549 /nfs/dbraw/zinc/49/95/49/357499549.db2.gz IVLCXZFAZCGBNX-LLVKDONJSA-N 2 0 295.387 -0.205 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638594193 357499580 /nfs/dbraw/zinc/49/95/80/357499580.db2.gz LMAOIOPTHRZXSP-DGCLKSJQSA-N 2 0 273.377 -0.552 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000638602226 357500166 /nfs/dbraw/zinc/50/01/66/357500166.db2.gz LZHGIXCULSVSBN-CYBMUJFWSA-N 2 0 297.399 -0.312 20 0 CBADRP C[NH2+]CC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000638601615 357500231 /nfs/dbraw/zinc/50/02/31/357500231.db2.gz GBRCNGVFYSXLKP-UHFFFAOYSA-N 2 0 255.362 -0.081 20 0 CBADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000638610303 357502336 /nfs/dbraw/zinc/50/23/36/357502336.db2.gz BUKXOAZLRHFTDF-OCCSQVGLSA-N 2 0 293.367 -0.330 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2COCC[NH2+]2)cn1 ZINC000638612168 357504092 /nfs/dbraw/zinc/50/40/92/357504092.db2.gz MVLVEBPITKZQAX-LBPRGKRZSA-N 2 0 281.360 -0.837 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000638613130 357505525 /nfs/dbraw/zinc/50/55/25/357505525.db2.gz GYKYUCZAUUYCFW-OCCSQVGLSA-N 2 0 275.352 -0.022 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000638614855 357506014 /nfs/dbraw/zinc/50/60/14/357506014.db2.gz YTMSQAJYAKKCHF-UTUOFQBUSA-N 2 0 253.346 -0.378 20 0 CBADRP [NH3+]CCc1nc(C(=O)NC[C@H]2COCC[NH2+]2)cs1 ZINC000638615524 357507069 /nfs/dbraw/zinc/50/70/69/357507069.db2.gz DGBRENWKQOYLPP-QMMMGPOBSA-N 2 0 270.358 -0.638 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)[C@@]1(C[NH3+])CCCOC1)C(F)F ZINC000638257667 357445077 /nfs/dbraw/zinc/44/50/77/357445077.db2.gz CMUNACUYOAFNGO-LDYMZIIASA-N 2 0 265.304 -0.159 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)CN1CC[NH2+]CC1)C(F)(F)F ZINC000638267017 357445786 /nfs/dbraw/zinc/44/57/86/357445786.db2.gz LUGLXLDLGFKTLD-MRVPVSSYSA-N 2 0 268.283 -0.713 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CCCC[NH2+]1 ZINC000638263758 357445918 /nfs/dbraw/zinc/44/59/18/357445918.db2.gz CMWIZGRVWKWRCT-JSGCOSHPSA-N 2 0 285.388 -0.360 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NCCC[C@@H]1CCC[NH2+]1 ZINC000638267751 357446086 /nfs/dbraw/zinc/44/60/86/357446086.db2.gz UOHRAJAXYXZVCS-LBPRGKRZSA-N 2 0 254.378 -0.460 20 0 CBADRP [NH3+][C@@H]1CC=C(C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000638295102 357453117 /nfs/dbraw/zinc/45/31/17/357453117.db2.gz SUTAHBYYTJPRKR-GFCCVEGCSA-N 2 0 253.346 -0.128 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000638326894 357458837 /nfs/dbraw/zinc/45/88/37/357458837.db2.gz ADTKBZCMZZVRCU-ZIAGYGMSSA-N 2 0 280.416 -0.118 20 0 CBADRP COc1cccc([C@@H]([NH3+])C(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000638337395 357458937 /nfs/dbraw/zinc/45/89/37/357458937.db2.gz FXNMGMXIDDJPLS-CHWSQXEVSA-N 2 0 279.340 -0.200 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]2C[NH2+]CCO2)CCCC[NH2+]1 ZINC000638336996 357459472 /nfs/dbraw/zinc/45/94/72/357459472.db2.gz ANHXDEVKLTVCGS-YPMHNXCESA-N 2 0 271.361 -0.750 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)C12CCC[NH+](CCC1)C2 ZINC000638337373 357459531 /nfs/dbraw/zinc/45/95/31/357459531.db2.gz FIHITHUMYZWFSA-GFCCVEGCSA-N 2 0 267.373 -0.033 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000638344592 357460160 /nfs/dbraw/zinc/46/01/60/357460160.db2.gz OQGYCFPRSHOYIG-GMXVVIOVSA-N 2 0 271.361 -0.670 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)C[C@@H]1C[NH3+] ZINC000638344714 357460809 /nfs/dbraw/zinc/46/08/09/357460809.db2.gz VBMSUOUCRQQXMH-MDZLAQPJSA-N 2 0 255.362 -0.192 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638617322 357509621 /nfs/dbraw/zinc/50/96/21/357509621.db2.gz YOVLSVPDORFZFW-NWJSVONSSA-N 2 0 297.399 -0.377 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000638370518 357463238 /nfs/dbraw/zinc/46/32/38/357463238.db2.gz ZJMXYRVFDBZNLG-GFCCVEGCSA-N 2 0 266.389 -0.318 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638386249 357464732 /nfs/dbraw/zinc/46/47/32/357464732.db2.gz JTIIKKPBWRCZDO-HIFRSBDPSA-N 2 0 299.415 -0.020 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638386232 357465018 /nfs/dbraw/zinc/46/50/18/357465018.db2.gz JTIIKKPBWRCZDO-DZGCQCFKSA-N 2 0 299.415 -0.020 20 0 CBADRP [NH3+]CCC1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000638390978 357466122 /nfs/dbraw/zinc/46/61/22/357466122.db2.gz NISFXBSOSFNQHR-UHFFFAOYSA-N 2 0 254.378 -0.521 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N1CC2CC1(C[NH3+])C2 ZINC000638417462 357471987 /nfs/dbraw/zinc/47/19/87/357471987.db2.gz HTNGICHBFDCRQH-UHFFFAOYSA-N 2 0 299.415 -0.079 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000638414376 357472232 /nfs/dbraw/zinc/47/22/32/357472232.db2.gz OVITXHPUOWDUSK-LLVKDONJSA-N 2 0 272.393 -0.537 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000638426606 357474253 /nfs/dbraw/zinc/47/42/53/357474253.db2.gz SNWJBHSGKSCUIA-VNHYZAJKSA-N 2 0 296.415 -0.741 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000638426603 357474388 /nfs/dbraw/zinc/47/43/88/357474388.db2.gz SNWJBHSGKSCUIA-IPYPFGDCSA-N 2 0 296.415 -0.741 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000638432590 357475189 /nfs/dbraw/zinc/47/51/89/357475189.db2.gz YSLMVDRMZBCNKX-BFLSOPEQSA-N 2 0 259.325 -0.349 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NCC23CC(C2)C[NH2+]3)cn1 ZINC000638427830 357475388 /nfs/dbraw/zinc/47/53/88/357475388.db2.gz NYIWZEKFFSWZTN-UHFFFAOYSA-N 2 0 277.372 -0.074 20 0 CBADRP COc1cccc([C@H]([NH3+])C(=O)N2CCOC3(C[NH2+]C3)C2)c1 ZINC000638437166 357476369 /nfs/dbraw/zinc/47/63/69/357476369.db2.gz KDAXZTBZTZLWOR-ZDUSSCGKSA-N 2 0 291.351 -0.104 20 0 CBADRP COC[C@]1(C(=O)N2CCOC3(C[NH2+]C3)C2)CCCC[NH2+]1 ZINC000638438379 357476544 /nfs/dbraw/zinc/47/65/44/357476544.db2.gz VKIZCBUFLBDUMP-AWEZNQCLSA-N 2 0 283.372 -0.654 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638478376 357481895 /nfs/dbraw/zinc/48/18/95/357481895.db2.gz XQZUKGQGDXGHNC-GFCCVEGCSA-N 2 0 297.403 -0.989 20 0 CBADRP [NH3+]CCCCC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638480430 357483520 /nfs/dbraw/zinc/48/35/20/357483520.db2.gz OVVVEIBINICXCC-UHFFFAOYSA-N 2 0 297.403 -0.715 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638497704 357487248 /nfs/dbraw/zinc/48/72/48/357487248.db2.gz HJGIWWMJQILQSE-MNOVXSKESA-N 2 0 253.346 -0.234 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000638509183 357490819 /nfs/dbraw/zinc/49/08/19/357490819.db2.gz RRSNSAZQZWLNTM-GMTAPVOTSA-N 2 0 253.346 -0.236 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000638541553 357494514 /nfs/dbraw/zinc/49/45/14/357494514.db2.gz JAFXMZVDMFGGJL-UHFFFAOYSA-N 2 0 255.362 -0.048 20 0 CBADRP CCN1CCO[C@@H](C(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000638633809 357513443 /nfs/dbraw/zinc/51/34/43/357513443.db2.gz HKVGBYQAHRVOLH-LLVKDONJSA-N 2 0 271.361 -0.669 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)C[NH2+]1 ZINC000638638909 357514587 /nfs/dbraw/zinc/51/45/87/357514587.db2.gz HBLWRKCCZPXFSC-NTZNESFSSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)c2cn(CC[NH3+])nn2)C[NH2+]1 ZINC000638643031 357514623 /nfs/dbraw/zinc/51/46/23/357514623.db2.gz YQTXYATVLDTNSO-DTWKUNHWSA-N 2 0 252.322 -0.893 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]C1 ZINC000638642374 357514717 /nfs/dbraw/zinc/51/47/17/357514717.db2.gz GGGPNVPFBPEJJM-WZRBSPASSA-N 2 0 255.362 -0.131 20 0 CBADRP [NH3+]CCCOCCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000638656631 357516712 /nfs/dbraw/zinc/51/67/12/357516712.db2.gz IUQMSNBYFLWCPO-LLVKDONJSA-N 2 0 259.350 -0.763 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000638672076 357517853 /nfs/dbraw/zinc/51/78/53/357517853.db2.gz CDYZLSRFTTUPIX-NWDGAFQWSA-N 2 0 255.362 -0.049 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N(C)CCOCC[NH3+])C1 ZINC000638669629 357517878 /nfs/dbraw/zinc/51/78/78/357517878.db2.gz FLAOYOZIWWGUJG-ZYHUDNBSSA-N 2 0 259.350 -0.813 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000638674538 357518674 /nfs/dbraw/zinc/51/86/74/357518674.db2.gz MGOJIDIOKIGVKJ-SLEUVZQESA-N 2 0 299.415 -0.047 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000638674542 357519394 /nfs/dbraw/zinc/51/93/94/357519394.db2.gz MGOJIDIOKIGVKJ-YWPYICTPSA-N 2 0 299.415 -0.047 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000638675763 357519781 /nfs/dbraw/zinc/51/97/81/357519781.db2.gz ZXAZIMFYTMVZGY-VIFPVBQESA-N 2 0 265.304 -0.335 20 0 CBADRP CN(CCOCC[NH3+])C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000638680505 357520255 /nfs/dbraw/zinc/52/02/55/357520255.db2.gz UMKBNUXRDJHHFA-NSHDSACASA-N 2 0 259.350 -0.811 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638729147 357526378 /nfs/dbraw/zinc/52/63/78/357526378.db2.gz YPBFQYQNAMEOLA-GVXVVHGQSA-N 2 0 253.346 -0.567 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000638766007 357527339 /nfs/dbraw/zinc/52/73/39/357527339.db2.gz NMBOAJUFWXGICT-CMPLNLGQSA-N 2 0 265.361 -0.075 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000638767575 357527370 /nfs/dbraw/zinc/52/73/70/357527370.db2.gz GVWYKMVHSIUCIV-LPEHRKFASA-N 2 0 263.345 -0.033 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638780559 357528268 /nfs/dbraw/zinc/52/82/68/357528268.db2.gz SJRHITMSLNROMZ-PWSUYJOCSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638776973 357528272 /nfs/dbraw/zinc/52/82/72/357528272.db2.gz AHCPRLWGSZVJLG-KBPBESRZSA-N 2 0 297.399 -0.408 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000638802325 357531830 /nfs/dbraw/zinc/53/18/30/357531830.db2.gz TUZYRNGAJNIIKY-DEKYYXRVSA-N 2 0 267.373 -0.003 20 0 CBADRP O=C(NCc1cccc2c1CC[NH2+]C2)C1(O)C[NH2+]C1 ZINC000638845358 357535158 /nfs/dbraw/zinc/53/51/58/357535158.db2.gz CWWPTHFVIPFUPP-UHFFFAOYSA-N 2 0 261.325 -0.717 20 0 CBADRP CN(C(=O)[C@@H](N)CC[NH+](C)C)[C@H]1C[NH+]2CCC1CC2 ZINC000638853787 357538558 /nfs/dbraw/zinc/53/85/58/357538558.db2.gz JSYINICGKDFAGK-STQMWFEESA-N 2 0 268.405 -0.182 20 0 CBADRP O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638916006 357543149 /nfs/dbraw/zinc/54/31/49/357543149.db2.gz TWPCXIKTXXOQLF-VWYCJHECSA-N 2 0 276.344 -0.784 20 0 CBADRP O=C(N1C[C@@H]2C[C@H]1C[NH2+]2)C1(n2cccn2)CC[NH2+]CC1 ZINC000638915236 357543304 /nfs/dbraw/zinc/54/33/04/357543304.db2.gz JRZMKYFNQDYSKW-RYUDHWBXSA-N 2 0 275.356 -0.466 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000638934778 357546111 /nfs/dbraw/zinc/54/61/11/357546111.db2.gz KFUSFUDPHAUBLN-OUAUKWLOSA-N 2 0 268.361 -0.807 20 0 CBADRP C[C@]1(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C[NH2+]CCO1 ZINC000638951437 357546847 /nfs/dbraw/zinc/54/68/47/357546847.db2.gz YVBRMLQNWMXZCB-NQBHXWOUSA-N 2 0 255.362 -0.001 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638984779 357548693 /nfs/dbraw/zinc/54/86/93/357548693.db2.gz RDNGOIPZNVWSNO-LBPRGKRZSA-N 3 0 293.371 -0.207 20 0 CBADRP CN(C)CC(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638984617 357548781 /nfs/dbraw/zinc/54/87/81/357548781.db2.gz PIIUZBSBDUAGAV-UHFFFAOYSA-N 3 0 263.345 -0.009 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639020878 357553833 /nfs/dbraw/zinc/55/38/33/357553833.db2.gz GCPYHXNMNCZIBC-SDDRHHMPSA-N 2 0 253.346 -0.425 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000639114149 357558390 /nfs/dbraw/zinc/55/83/90/357558390.db2.gz KRKPNLBQMDDVMR-NSHDSACASA-N 2 0 272.393 -0.321 20 0 CBADRP C[NH+]1CCC2(CC[N@H+](CC(=O)N3CCNC3=O)C2)CC1 ZINC000639760405 357595257 /nfs/dbraw/zinc/59/52/57/357595257.db2.gz XAUNXPFGMJOFSQ-UHFFFAOYSA-N 2 0 280.372 -0.044 20 0 CBADRP CNC(=O)CCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762117 357595719 /nfs/dbraw/zinc/59/57/19/357595719.db2.gz GMDYCRFVTIGJOW-CYBMUJFWSA-N 2 0 257.378 -0.099 20 0 CBADRP CC[C@H](C(=O)N[C@H](CO)C[NH+]1CCCC1)[NH+](C)C ZINC000640323198 357644829 /nfs/dbraw/zinc/64/48/29/357644829.db2.gz KAWOTVOQHRGCCC-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000641493513 357712886 /nfs/dbraw/zinc/71/28/86/357712886.db2.gz NUXIRXXJYMJLSA-GHMZBOCLSA-N 2 0 272.393 -0.180 20 0 CBADRP C[NH+](C)CC1CN(S(=O)(=O)CCn2ccnc2)C1 ZINC000641516016 357716265 /nfs/dbraw/zinc/71/62/65/357716265.db2.gz HOGSRLAOHXSYSW-UHFFFAOYSA-N 2 0 272.374 -0.294 20 0 CBADRP C[NH+](C)CCc1cn(C[C@H](O)C[N@H+](C)C2CC2)nn1 ZINC000641222733 357683129 /nfs/dbraw/zinc/68/31/29/357683129.db2.gz CXMLQHNFBCLKOM-CYBMUJFWSA-N 2 0 267.377 -0.163 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000574042978 334987305 /nfs/dbraw/zinc/98/73/05/334987305.db2.gz WBOHHSZOVVIXIB-SCVCMEIPSA-N 2 0 270.377 -0.671 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000641425015 357704132 /nfs/dbraw/zinc/70/41/32/357704132.db2.gz NHZOMNLOUUOJKA-GFCCVEGCSA-N 2 0 273.425 -0.142 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCN(C)C(C)(C)C1 ZINC000641824442 357746326 /nfs/dbraw/zinc/74/63/26/357746326.db2.gz JLSHZNBCFCFJCR-UHFFFAOYSA-N 2 0 270.377 -0.654 20 0 CBADRP CC1(C)CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@@H+]1CCO ZINC000641911505 357748501 /nfs/dbraw/zinc/74/85/01/357748501.db2.gz JBYVRMXOHYOQHT-GDNZZTSVSA-N 2 0 282.388 -0.698 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000642080472 357750055 /nfs/dbraw/zinc/75/00/55/357750055.db2.gz ZYRKFKDFSIZMGU-VHSXEESVSA-N 2 0 298.412 -0.070 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000642080471 357750109 /nfs/dbraw/zinc/75/01/09/357750109.db2.gz ZYRKFKDFSIZMGU-UWVGGRQHSA-N 2 0 298.412 -0.070 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000642439315 357754375 /nfs/dbraw/zinc/75/43/75/357754375.db2.gz BHDSELJRCGFZSJ-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)C1CC1 ZINC000642403969 357754486 /nfs/dbraw/zinc/75/44/86/357754486.db2.gz NXWRAQGXFANTLK-WCQYABFASA-N 2 0 294.399 -0.593 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000642439973 357754999 /nfs/dbraw/zinc/75/49/99/357754999.db2.gz UIPNNYOBYVDUGL-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000642440044 357755168 /nfs/dbraw/zinc/75/51/68/357755168.db2.gz WGQAIRUNCBSQAI-OLZOCXBDSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000642439452 357755687 /nfs/dbraw/zinc/75/56/87/357755687.db2.gz HOCCTWKMOSLWRV-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642537919 357756234 /nfs/dbraw/zinc/75/62/34/357756234.db2.gz ANHAOYTUMDPNMA-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642537977 357756342 /nfs/dbraw/zinc/75/63/42/357756342.db2.gz OPXOQNXSGSGZIO-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])C1 ZINC000642640203 357757124 /nfs/dbraw/zinc/75/71/24/357757124.db2.gz OTBZRMDSQYUITL-OLZOCXBDSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000642718200 357759699 /nfs/dbraw/zinc/75/96/99/357759699.db2.gz SYTYYAOASWUPIH-TUAOUCFPSA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642718723 357759710 /nfs/dbraw/zinc/75/97/10/357759710.db2.gz JVPGOSNJAWPHJP-ZWNOBZJWSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000642732140 357760298 /nfs/dbraw/zinc/76/02/98/357760298.db2.gz FCCHEUXBPOHERP-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000642731743 357760508 /nfs/dbraw/zinc/76/05/08/357760508.db2.gz ZAHJMOWGJRDGJX-NSHDSACASA-N 2 0 270.377 -0.702 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000642785713 357761946 /nfs/dbraw/zinc/76/19/46/357761946.db2.gz DUZUKLQXRWKTSB-STQMWFEESA-N 2 0 296.415 -0.314 20 0 CBADRP [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000642785648 357762059 /nfs/dbraw/zinc/76/20/59/357762059.db2.gz AXYPCGJEWJNUGQ-CHWSQXEVSA-N 2 0 294.399 -0.560 20 0 CBADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[NH2+]CC1 ZINC000642785928 357762428 /nfs/dbraw/zinc/76/24/28/357762428.db2.gz RCNPPEPJRRANFB-LBPRGKRZSA-N 2 0 280.372 -0.981 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000642785688 357762486 /nfs/dbraw/zinc/76/24/86/357762486.db2.gz DKWDNCCFRQVODG-AAEUAGOBSA-N 2 0 294.399 -0.593 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000642785799 357762506 /nfs/dbraw/zinc/76/25/06/357762506.db2.gz LLHHEJDQVQMKNJ-QWHCGFSZSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000642798347 357763327 /nfs/dbraw/zinc/76/33/27/357763327.db2.gz IJCSKWFVIFCIIP-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000642793880 357763439 /nfs/dbraw/zinc/76/34/39/357763439.db2.gz BBLZQBBOLUXHMM-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP CC(C)[NH+](CCNC(=O)C(=O)NC[C@H](C)[NH3+])C(C)C ZINC000642854629 357763566 /nfs/dbraw/zinc/76/35/66/357763566.db2.gz KZVGTMLCMAXXJI-NSHDSACASA-N 2 0 272.393 -0.315 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000642854657 357763953 /nfs/dbraw/zinc/76/39/53/357763953.db2.gz UZEWLZAWHZSFNU-AAEUAGOBSA-N 2 0 292.383 -0.131 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCC1 ZINC000642887381 357764416 /nfs/dbraw/zinc/76/44/16/357764416.db2.gz PHAFHSAZWCHIBY-VXGBXAGGSA-N 2 0 294.399 -0.273 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000642854660 357764709 /nfs/dbraw/zinc/76/47/09/357764709.db2.gz UZEWLZAWHZSFNU-YPMHNXCESA-N 2 0 292.383 -0.131 20 0 CBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642909304 357767263 /nfs/dbraw/zinc/76/72/63/357767263.db2.gz KHIKPTRSPWYJAB-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642910829 357768168 /nfs/dbraw/zinc/76/81/68/357768168.db2.gz PBZXQMPEJDLSAL-UTUOFQBUSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000642909930 357768232 /nfs/dbraw/zinc/76/82/32/357768232.db2.gz XPUIQYSMCODDLE-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH3+])CC2 ZINC000642911240 357768285 /nfs/dbraw/zinc/76/82/85/357768285.db2.gz ZLSVLJJCEXTXOO-UPJWGTAASA-N 2 0 296.415 -0.077 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918157 357769444 /nfs/dbraw/zinc/76/94/44/357769444.db2.gz OYDKMTMGDBKMGL-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP O=C(NCC[NH2+]C1CC1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000642918433 357770370 /nfs/dbraw/zinc/77/03/70/357770370.db2.gz UUBFYXYHHYTARH-CYBMUJFWSA-N 2 0 294.399 -0.449 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC[NH2+]C3CC3)[C@H]2C1 ZINC000642919384 357770378 /nfs/dbraw/zinc/77/03/78/357770378.db2.gz YQVHLXGCAPKKDN-YPMHNXCESA-N 2 0 294.399 -0.593 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919746 357770581 /nfs/dbraw/zinc/77/05/81/357770581.db2.gz FMYFWMXWVJYONF-GFCCVEGCSA-N 2 0 282.388 -0.545 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000642978829 357773827 /nfs/dbraw/zinc/77/38/27/357773827.db2.gz UUZBQRMRQKAKFW-LBPRGKRZSA-N 2 0 296.415 -0.027 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000642956703 357773879 /nfs/dbraw/zinc/77/38/79/357773879.db2.gz NHJZNAJNCJZBJE-AGIUHOORSA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000642969732 357773901 /nfs/dbraw/zinc/77/39/01/357773901.db2.gz SCFSDMUMWLMUIU-STQMWFEESA-N 2 0 296.415 -0.170 20 0 CBADRP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000642960485 357773966 /nfs/dbraw/zinc/77/39/66/357773966.db2.gz WTCBRJPZPKZPOS-VXGBXAGGSA-N 2 0 280.372 -0.854 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000643592635 357791356 /nfs/dbraw/zinc/79/13/56/357791356.db2.gz RRPARDAHDQBPEV-NEPJUHHUSA-N 2 0 284.404 -0.219 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000643471884 357784098 /nfs/dbraw/zinc/78/40/98/357784098.db2.gz NWWQRSBXMHBTND-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643478972 357785189 /nfs/dbraw/zinc/78/51/89/357785189.db2.gz XKVFOOWKSKIIGQ-UHFFFAOYSA-N 2 0 291.355 -0.853 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000643484203 357785468 /nfs/dbraw/zinc/78/54/68/357785468.db2.gz HIKPRRSLERYARE-BETUJISGSA-N 2 0 294.399 -0.782 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000643553655 357788506 /nfs/dbraw/zinc/78/85/06/357788506.db2.gz LEJVPVHOQZMRCS-CHWSQXEVSA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000643553818 357788819 /nfs/dbraw/zinc/78/88/19/357788819.db2.gz RIIZZEFCPHQQTP-LBPRGKRZSA-N 2 0 282.388 -0.593 20 0 CBADRP CNC(=O)C[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000361208236 283336956 /nfs/dbraw/zinc/33/69/56/283336956.db2.gz HTVCVPVTDVDPBT-NWDGAFQWSA-N 2 0 256.394 -0.264 20 0 CBADRP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336598 283354580 /nfs/dbraw/zinc/35/45/80/283354580.db2.gz IXVYHFDFMLNHRN-QWRGUYRKSA-N 2 0 268.361 -0.237 20 0 CBADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc(=O)n(C)[nH]2)CC1 ZINC000329283125 202264996 /nfs/dbraw/zinc/26/49/96/202264996.db2.gz NHMMRANLUCZVTI-LLVKDONJSA-N 2 0 297.403 -0.367 20 0 CBADRP C[C@H](C[NH2+][C@H](C)CS(C)(=O)=O)CN1CC[NH+](C)CC1 ZINC000341710596 216075871 /nfs/dbraw/zinc/07/58/71/216075871.db2.gz VDMUKTJMDBTDSG-CHWSQXEVSA-N 2 0 291.461 -0.107 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000375071344 283571768 /nfs/dbraw/zinc/57/17/68/283571768.db2.gz NREOWDKWULPMAY-DCAQKATOSA-N 2 0 259.325 -0.477 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000574096285 334991961 /nfs/dbraw/zinc/99/19/61/334991961.db2.gz OGUYKKBIMQOPMM-PHIMTYICSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000163222421 296025389 /nfs/dbraw/zinc/02/53/89/296025389.db2.gz SIQMEFKBZGEPHS-NXEZZACHSA-N 2 0 268.361 -0.014 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529388446 283612675 /nfs/dbraw/zinc/61/26/75/283612675.db2.gz ONRQIWNAHBNNNQ-VXGBXAGGSA-N 2 0 270.377 -0.242 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000342519957 216382516 /nfs/dbraw/zinc/38/25/16/216382516.db2.gz ZSIXJDVWWLSYEP-BFHYXJOUSA-N 2 0 282.432 -0.064 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000353401081 296054871 /nfs/dbraw/zinc/05/48/71/296054871.db2.gz PEZOSKTXADBTGT-STQMWFEESA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@]1(CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC[NH2+]C1 ZINC000514949308 291380339 /nfs/dbraw/zinc/38/03/39/291380339.db2.gz DKQTYRGGPKOFKQ-MDZLAQPJSA-N 2 0 252.362 -0.770 20 0 CBADRP C[C@]1(CNC(=O)NC[C@@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000418536140 291385781 /nfs/dbraw/zinc/38/57/81/291385781.db2.gz IKIRTFAGSQYWIR-AAEUAGOBSA-N 2 0 270.377 -0.336 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC[NH2+]C1 ZINC000574269532 335005209 /nfs/dbraw/zinc/00/52/09/335005209.db2.gz BAYTUSRSHPOTOT-MDZLAQPJSA-N 2 0 255.362 -0.192 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CCN(CCC(=O)OC)C[C@H]1C ZINC000574328762 335010902 /nfs/dbraw/zinc/01/09/02/335010902.db2.gz XNFGLZMWOOELID-GHMZBOCLSA-N 2 0 271.361 -0.181 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000574336222 335011742 /nfs/dbraw/zinc/01/17/42/335011742.db2.gz LOVHPYXBGVRDPB-ILXRZTDVSA-N 2 0 285.432 -0.049 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000188169530 296137604 /nfs/dbraw/zinc/13/76/04/296137604.db2.gz PGIGOCDTNUQYTI-ZIAGYGMSSA-N 2 0 297.399 -0.454 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000364564271 296137473 /nfs/dbraw/zinc/13/74/73/296137473.db2.gz TXNIKMKAUGDAIN-YNEHKIRRSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000331922954 204298401 /nfs/dbraw/zinc/29/84/01/204298401.db2.gz CIYIIHHZRLXDPD-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[NH+]1CCC(CCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000236852516 189848600 /nfs/dbraw/zinc/84/86/00/189848600.db2.gz HVDYTYXQYJAHAN-CHWSQXEVSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000332314489 204591399 /nfs/dbraw/zinc/59/13/99/204591399.db2.gz NJPJGENRJJGSKN-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP [NH3+]CCCCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000574398746 335016277 /nfs/dbraw/zinc/01/62/77/335016277.db2.gz RYSJFOJPAGBRIV-VIFPVBQESA-N 2 0 251.334 -0.045 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)CCOC2C[NH2+]C2)C[C@H]1C ZINC000348988563 296182951 /nfs/dbraw/zinc/18/29/51/296182951.db2.gz BAVJCBLPNDRYME-VXGBXAGGSA-N 2 0 285.388 -0.722 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332558545 204796339 /nfs/dbraw/zinc/79/63/39/204796339.db2.gz OTXXNJIJAZLICK-NWDGAFQWSA-N 2 0 280.372 -0.839 20 0 CBADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000515351740 296185751 /nfs/dbraw/zinc/18/57/51/296185751.db2.gz VPWHOYYSTPVPCK-BREBYQMCSA-N 2 0 275.356 -0.080 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000353428765 220078188 /nfs/dbraw/zinc/07/81/88/220078188.db2.gz SUTQDMPDUPFDGN-KGLIPLIRSA-N 2 0 280.416 -0.308 20 0 CBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174723261 372832973 /nfs/dbraw/zinc/83/29/73/372832973.db2.gz KBXUDBJXSLGPMI-GFCCVEGCSA-N 2 0 299.419 -0.600 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)CC[NH2+]C1 ZINC000333264032 205166513 /nfs/dbraw/zinc/16/65/13/205166513.db2.gz JHGPFOTZVJBLGM-WZRBSPASSA-N 2 0 255.362 -0.131 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000353472329 220102127 /nfs/dbraw/zinc/10/21/27/220102127.db2.gz STDNZHABKPRSTG-STQMWFEESA-N 2 0 285.388 -0.469 20 0 CBADRP C[N@H+]1C[C@H]2CN(CCN3C(=O)NC(C)(C)C3=O)C[C@H]2C1 ZINC000193655319 372859770 /nfs/dbraw/zinc/85/97/70/372859770.db2.gz VFGWVJDWLWXTFL-PHIMTYICSA-N 2 0 280.372 -0.190 20 0 CBADRP C[C@@]1(O)CCN(C[C@H](O)C[N@@H+]2CC[C@](C)(O)C2)C1 ZINC000248731277 372892299 /nfs/dbraw/zinc/89/22/99/372892299.db2.gz KRDUYTLSYJUMED-CLLJXQQHSA-N 2 0 258.362 -0.739 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000353503562 220123363 /nfs/dbraw/zinc/12/33/63/220123363.db2.gz BWRFCXMFFHJYJM-VXGBXAGGSA-N 2 0 271.361 -0.859 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2C[NH2+]CCO2)C[N@@H+]1C1CC1 ZINC000333367109 205258493 /nfs/dbraw/zinc/25/84/93/205258493.db2.gz LXVWWDMXXANOPV-NQBHXWOUSA-N 2 0 282.388 -0.101 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC2([NH3+])CCC2)C[C@@H]1C ZINC000332490936 373005952 /nfs/dbraw/zinc/00/59/52/373005952.db2.gz RZRDMQNTWPCFRW-RYUDHWBXSA-N 2 0 284.404 -0.036 20 0 CBADRP O=C(NCC[NH+]1CCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000344744872 217298524 /nfs/dbraw/zinc/29/85/24/217298524.db2.gz TULASIKVIUBNLK-LBPRGKRZSA-N 2 0 252.362 -0.802 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C[N@@H+]1C1CC1 ZINC000333365562 373009285 /nfs/dbraw/zinc/00/92/85/373009285.db2.gz LSWWUOQHRWOJFD-NEPJUHHUSA-N 2 0 294.399 -0.005 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000353538625 220143292 /nfs/dbraw/zinc/14/32/92/220143292.db2.gz XTSHZHQMVJFYTA-AVGNSLFASA-N 2 0 296.415 -0.170 20 0 CBADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000333803420 373012705 /nfs/dbraw/zinc/01/27/05/373012705.db2.gz IFDUKSUSIGCELK-VXGBXAGGSA-N 2 0 282.388 -0.112 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000342982921 373048925 /nfs/dbraw/zinc/04/89/25/373048925.db2.gz IBOXPNPHCPFSTL-NTZNESFSSA-N 2 0 257.378 -0.387 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000333489728 205368789 /nfs/dbraw/zinc/36/87/89/205368789.db2.gz DCGPISAXVUDIAN-RWMBFGLXSA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000346124550 373066231 /nfs/dbraw/zinc/06/62/31/373066231.db2.gz XPEZNIFTIYESMT-NWDGAFQWSA-N 2 0 296.415 -0.252 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000341667884 373043845 /nfs/dbraw/zinc/04/38/45/373043845.db2.gz UQGNBKAFLZYBKU-GXTWGEPZSA-N 2 0 287.404 -0.617 20 0 CBADRP CCC[C@@](C)([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000353589341 373113159 /nfs/dbraw/zinc/11/31/59/373113159.db2.gz MDYKARZQBRRKPO-BXUZGUMPSA-N 2 0 284.404 -0.040 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000355319883 373126458 /nfs/dbraw/zinc/12/64/58/373126458.db2.gz RXYHVBYXKXJJRP-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)NCCOCC[NH+](C)C ZINC000355333679 373130652 /nfs/dbraw/zinc/13/06/52/373130652.db2.gz CIUIYGZKMSIIFU-LLVKDONJSA-N 2 0 260.382 -0.186 20 0 CBADRP CC(C)C[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000353587485 220174472 /nfs/dbraw/zinc/17/44/72/220174472.db2.gz HCOPUKRDRNQZQZ-NEPJUHHUSA-N 2 0 284.404 -0.184 20 0 CBADRP O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)[C@@H]1C[NH2+]CCO1 ZINC000361099378 373260935 /nfs/dbraw/zinc/26/09/35/373260935.db2.gz VQICRVLGLNVVME-UTUOFQBUSA-N 2 0 253.346 -0.521 20 0 CBADRP CNC(=O)C[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000361109541 373263669 /nfs/dbraw/zinc/26/36/69/373263669.db2.gz NEXBGFKQKBOLFS-QWHCGFSZSA-N 2 0 270.421 -0.016 20 0 CBADRP CN(CCC[N@H+](C)[C@@H]1COC[C@@H]1O)CC[NH+](C)C ZINC000361394841 373287432 /nfs/dbraw/zinc/28/74/32/373287432.db2.gz ITBJWMNBXGFJQF-OLZOCXBDSA-N 2 0 259.394 -0.439 20 0 CBADRP CN(CCC[N@H+](C)[C@@H]1COC[C@H]1O)CC[NH+](C)C ZINC000361394840 373288198 /nfs/dbraw/zinc/28/81/98/373288198.db2.gz ITBJWMNBXGFJQF-CHWSQXEVSA-N 2 0 259.394 -0.439 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CCC[NH3+])CC2)C1 ZINC000361710076 373327148 /nfs/dbraw/zinc/32/71/48/373327148.db2.gz CNVAYUUYAUQHLS-CYBMUJFWSA-N 2 0 268.405 -0.036 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000362836521 373451634 /nfs/dbraw/zinc/45/16/34/373451634.db2.gz HKXXRPKAMMPEOS-FRRDWIJNSA-N 2 0 269.389 -0.027 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000362883391 373458911 /nfs/dbraw/zinc/45/89/11/373458911.db2.gz QZLZFOMUPXAISL-MROQNXINSA-N 2 0 267.373 -0.275 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000364766549 373522670 /nfs/dbraw/zinc/52/26/70/373522670.db2.gz BGXLCMBHWMQKTK-XQQFMLRXSA-N 2 0 285.388 -0.592 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000364766547 373522698 /nfs/dbraw/zinc/52/26/98/373522698.db2.gz BGXLCMBHWMQKTK-AVGNSLFASA-N 2 0 285.388 -0.592 20 0 CBADRP CC(C)([NH3+])CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000367993818 373539520 /nfs/dbraw/zinc/53/95/20/373539520.db2.gz NBZXBKVCCFMIPS-NSHDSACASA-N 2 0 254.378 -0.380 20 0 CBADRP O=C([C@H]1CCC[NH2+]C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377567464 373576164 /nfs/dbraw/zinc/57/61/64/373576164.db2.gz ZLUFDDSPBNIVJU-STQMWFEESA-N 2 0 266.389 -0.508 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000417443824 373628143 /nfs/dbraw/zinc/62/81/43/373628143.db2.gz AZZZUQNESUFRJH-RYUDHWBXSA-N 2 0 272.393 -0.057 20 0 CBADRP COC[C@@]1(C(=O)N2CC[NH2+]C(C)(C)C2)CC[NH2+]C1 ZINC000417841724 373632223 /nfs/dbraw/zinc/63/22/23/373632223.db2.gz TWKVNBAQYCLSFE-CYBMUJFWSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000418521990 373633467 /nfs/dbraw/zinc/63/34/67/373633467.db2.gz ITGAJQZDDQIMBY-UTUOFQBUSA-N 2 0 272.393 -0.180 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)C[C@@H](C)[NH2+]1 ZINC000419538602 373637713 /nfs/dbraw/zinc/63/77/13/373637713.db2.gz ADZFHLSGZASMAZ-FVCCEPFGSA-N 2 0 296.415 -0.206 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C1CC1 ZINC000419525208 373637873 /nfs/dbraw/zinc/63/78/73/373637873.db2.gz RCFRVRQAQSQQFE-GFCCVEGCSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000419243281 373638826 /nfs/dbraw/zinc/63/88/26/373638826.db2.gz SJASDNMORYGTTP-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419887256 373643569 /nfs/dbraw/zinc/64/35/69/373643569.db2.gz DEXKYOOSKYZYIP-OLZOCXBDSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000419999773 373646386 /nfs/dbraw/zinc/64/63/86/373646386.db2.gz SMAZCOWJZLKNNU-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000420107254 373650007 /nfs/dbraw/zinc/65/00/07/373650007.db2.gz ASAFGJRSTJJNBC-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000574451846 335020621 /nfs/dbraw/zinc/02/06/21/335020621.db2.gz QDJLAQRQWTWSOG-HIFRSBDPSA-N 2 0 288.395 -0.107 20 0 CBADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423781385 373662181 /nfs/dbraw/zinc/66/21/81/373662181.db2.gz XPBOASFJDXVREZ-QWHCGFSZSA-N 2 0 296.415 -0.347 20 0 CBADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000424187178 373665969 /nfs/dbraw/zinc/66/59/69/373665969.db2.gz AIXPHYLMMCKWCK-MGPQQGTHSA-N 2 0 297.399 -0.280 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000430724002 373673325 /nfs/dbraw/zinc/67/33/25/373673325.db2.gz UNWGGNOJHHXRSO-RWMBFGLXSA-N 2 0 285.388 -0.722 20 0 CBADRP CNC(=O)NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431017943 373675235 /nfs/dbraw/zinc/67/52/35/373675235.db2.gz STWUSTRARQMVBC-UHFFFAOYSA-N 2 0 254.334 -0.483 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000431004163 373675455 /nfs/dbraw/zinc/67/54/55/373675455.db2.gz INEGPWUNWICKKJ-OLZOCXBDSA-N 2 0 284.404 -0.883 20 0 CBADRP Cc1nc(C)n(C[C@H]2CN(CCC[NH3+])CCO2)n1 ZINC000514941283 373773103 /nfs/dbraw/zinc/77/31/03/373773103.db2.gz BNWDPUXAVCCPJI-GFCCVEGCSA-N 2 0 253.350 -0.055 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000515060365 373774562 /nfs/dbraw/zinc/77/45/62/373774562.db2.gz WDWFPFMPTQRVEH-QWRGUYRKSA-N 2 0 278.360 -0.536 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000493896406 373734298 /nfs/dbraw/zinc/73/42/98/373734298.db2.gz GAKHYHFUZAYAQE-WDEREUQCSA-N 2 0 257.378 -0.067 20 0 CBADRP C[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])C[NH+]1CCN(C)CC1 ZINC000493945106 373738355 /nfs/dbraw/zinc/73/83/55/373738355.db2.gz NQIKPRPWUPNDNR-UPJWGTAASA-N 2 0 270.421 -0.031 20 0 CBADRP C[C@H](CNC(=O)[C@@H](C)[C@@H](C)[NH3+])C[NH+]1CCN(C)CC1 ZINC000493945104 373738533 /nfs/dbraw/zinc/73/85/33/373738533.db2.gz NQIKPRPWUPNDNR-FRRDWIJNSA-N 2 0 270.421 -0.031 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000514596462 373755375 /nfs/dbraw/zinc/75/53/75/373755375.db2.gz VGCYDZTWKYLHAX-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000514667113 373759901 /nfs/dbraw/zinc/75/99/01/373759901.db2.gz WCNHZWAPFNVQPT-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000519771882 373823680 /nfs/dbraw/zinc/82/36/80/373823680.db2.gz JPVDVQBEAOVCTO-OLZOCXBDSA-N 2 0 268.405 -0.133 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000520819470 373835135 /nfs/dbraw/zinc/83/51/35/373835135.db2.gz BGABBVBXGDVPGO-AWEZNQCLSA-N 2 0 298.431 -0.364 20 0 CBADRP O=C([C@H]1CCC[NH2+]1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000515299890 373782296 /nfs/dbraw/zinc/78/22/96/373782296.db2.gz OFVGLLZVZBEZMR-QWHCGFSZSA-N 2 0 294.399 -0.591 20 0 CBADRP [NH3+]CCc1ccccc1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000515308033 373782427 /nfs/dbraw/zinc/78/24/27/373782427.db2.gz QRLJAAOUCDQPCS-GFCCVEGCSA-N 2 0 263.341 -0.094 20 0 CBADRP C[C@@H]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000515523152 373791433 /nfs/dbraw/zinc/79/14/33/373791433.db2.gz QDAIXYOPVXKTCW-VXGBXAGGSA-N 2 0 297.403 -0.956 20 0 CBADRP C[C@]1(C(=O)N2CCCO[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000515651790 373794122 /nfs/dbraw/zinc/79/41/22/373794122.db2.gz ROSISZBBCHMJSK-AAEUAGOBSA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000515659027 373794277 /nfs/dbraw/zinc/79/42/77/373794277.db2.gz ANWUAZPBJGUNHI-WCQYABFASA-N 2 0 257.378 -0.066 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)C1 ZINC000515841877 373798512 /nfs/dbraw/zinc/79/85/12/373798512.db2.gz FRVAVNKGIYLHGG-XUJVJEKNSA-N 2 0 294.399 -0.701 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)C[C@@H]1[NH+](C)C ZINC000333861119 205778697 /nfs/dbraw/zinc/77/86/97/205778697.db2.gz SCFRCTYKEKHGLH-AGIUHOORSA-N 2 0 284.404 -0.044 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)[NH+](C)C ZINC000521269465 373842457 /nfs/dbraw/zinc/84/24/57/373842457.db2.gz ARHPMUZDSNHLBC-RYUDHWBXSA-N 2 0 286.420 -0.245 20 0 CBADRP CC[C@@H]1C[N@H+](C)CCN1C[C@@H](O)C[NH+](C)CCOC ZINC000521642445 373849588 /nfs/dbraw/zinc/84/95/88/373849588.db2.gz ZIDUCFAZMMSIBL-KGLIPLIRSA-N 2 0 273.421 -0.049 20 0 CBADRP C[N@H+](C[C@H](O)CNC[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000521874742 373851508 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CBADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)O1 ZINC000527553262 373925792 /nfs/dbraw/zinc/92/57/92/373925792.db2.gz JTQBSZWFROETFJ-HZSPNIEDSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)O1 ZINC000527553441 373926495 /nfs/dbraw/zinc/92/64/95/373926495.db2.gz MAYXQFQZKPFMSM-MGPQQGTHSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@@H](NC(=O)NC[C@H]1COCC[NH2+]1)C1=CC[N@H+](C)CC1 ZINC000529323183 373999008 /nfs/dbraw/zinc/99/90/08/373999008.db2.gz MGYWEZUVGYRBQQ-YPMHNXCESA-N 2 0 282.388 -0.076 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000529297266 374000379 /nfs/dbraw/zinc/00/03/79/374000379.db2.gz HWNCBEVPGCCXQM-FRRDWIJNSA-N 2 0 282.388 -0.099 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529330410 374001570 /nfs/dbraw/zinc/00/15/70/374001570.db2.gz PFSQBYDKWRPLBN-GFCCVEGCSA-N 2 0 281.404 -0.525 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@@H]1CCC[NH2+]C1 ZINC000529334088 374004949 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[NH3+]C[C@H]1CN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCO1 ZINC000529350620 374009307 /nfs/dbraw/zinc/00/93/07/374009307.db2.gz PIHMPJDBXDYDLZ-WDEREUQCSA-N 2 0 268.361 -0.360 20 0 CBADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529376197 374016567 /nfs/dbraw/zinc/01/65/67/374016567.db2.gz QHLVZNPCCPMNRP-OLZOCXBDSA-N 2 0 284.404 -0.044 20 0 CBADRP C[C@@]1(C[NH3+])CCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529387843 374023990 /nfs/dbraw/zinc/02/39/90/374023990.db2.gz MSGOYUSNJXQCDH-JQWIXIFHSA-N 2 0 256.350 -0.645 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529376353 374017523 /nfs/dbraw/zinc/01/75/23/374017523.db2.gz BZNOKDXKTZIWNV-NWDGAFQWSA-N 2 0 270.377 -0.290 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000529375824 374017835 /nfs/dbraw/zinc/01/78/35/374017835.db2.gz ACNHVWLAHAWCEF-QJPTWQEYSA-N 2 0 268.361 -0.774 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000529386339 374024430 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CC(=O)NCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000531357539 374131813 /nfs/dbraw/zinc/13/18/13/374131813.db2.gz YDSJCCXMECEFBU-UHFFFAOYSA-N 2 0 258.366 -0.926 20 0 CBADRP C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCN1CCO ZINC000548313335 374193383 /nfs/dbraw/zinc/19/33/83/374193383.db2.gz FETNUSXSIUVVIA-NWDGAFQWSA-N 2 0 255.362 -0.537 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC2(N3CCOCC3)CC2)C1 ZINC000551867782 374246370 /nfs/dbraw/zinc/24/63/70/374246370.db2.gz XMAJFUFXQZITSD-LBPRGKRZSA-N 2 0 267.373 -0.081 20 0 CBADRP C[C@@H]1CCNC(=O)[C@H]1NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000554946415 374285652 /nfs/dbraw/zinc/28/56/52/374285652.db2.gz JDWJDBGZQYKUKM-JLLWLGSASA-N 2 0 255.362 -0.444 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000566510884 374330820 /nfs/dbraw/zinc/33/08/20/374330820.db2.gz CZRPIQGRRTUGNE-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000575309754 374338017 /nfs/dbraw/zinc/33/80/17/374338017.db2.gz VAYRPWLHNKTPRA-QWHCGFSZSA-N 2 0 296.415 -0.360 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)CC[N@H+](C)C2CC2)C1 ZINC000577867621 374342483 /nfs/dbraw/zinc/34/24/83/374342483.db2.gz OTICYDVBYQOANJ-NWDGAFQWSA-N 2 0 255.362 -0.084 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000577868679 374343004 /nfs/dbraw/zinc/34/30/04/374343004.db2.gz GSSBWELBKQJYLG-HIFRSBDPSA-N 2 0 299.415 -0.033 20 0 CBADRP C[C@H](Cn1cncn1)[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000583494797 374363925 /nfs/dbraw/zinc/36/39/25/374363925.db2.gz GIZKZIWVMBGPJR-YIYPIFLZSA-N 2 0 297.403 -0.274 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000583802397 374366931 /nfs/dbraw/zinc/36/69/31/374366931.db2.gz BYNYQAXLVAUYMJ-UHFFFAOYSA-N 2 0 270.377 -0.687 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000577955506 374346311 /nfs/dbraw/zinc/34/63/11/374346311.db2.gz WATSDRFDFQQDKK-QWRGUYRKSA-N 2 0 271.361 -0.275 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000577949427 374347042 /nfs/dbraw/zinc/34/70/42/374347042.db2.gz LXYHPZUPQWKRSR-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP COC(=O)c1cn(CC[NH2+]C[C@H](O)CN(C)C2CC2)nn1 ZINC000578065238 374350433 /nfs/dbraw/zinc/35/04/33/374350433.db2.gz RWPKGKGPDAQTFC-NSHDSACASA-N 2 0 297.359 -0.891 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CCOC3)[C@H]2C1 ZINC000643794224 374422226 /nfs/dbraw/zinc/42/22/26/374422226.db2.gz LXTKIYZONQWVEL-UPJWGTAASA-N 2 0 267.373 -0.225 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1C[NH2+]CCC1(F)F ZINC000644161135 374496967 /nfs/dbraw/zinc/49/69/67/374496967.db2.gz QKVQTTMSLMYOFK-BDAKNGLRSA-N 2 0 263.288 -0.664 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)NCC[NH2+]C3CC3)C[C@H]2[NH3+])cn1 ZINC000644198705 374501555 /nfs/dbraw/zinc/50/15/55/374501555.db2.gz WKOFHHKFYGACLB-QWHCGFSZSA-N 2 0 292.387 -0.392 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000574524616 335026854 /nfs/dbraw/zinc/02/68/54/335026854.db2.gz DQSNKPIEVZDNTB-UONOGXRCSA-N 2 0 271.405 -0.389 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000644561576 374594910 /nfs/dbraw/zinc/59/49/10/374594910.db2.gz AZIXHHITTYGRTH-TZMCWYRMSA-N 2 0 271.405 -0.248 20 0 CBADRP CC(C)OCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000644621327 374602885 /nfs/dbraw/zinc/60/28/85/374602885.db2.gz HDYGGOPFHWPIMW-ZDUSSCGKSA-N 2 0 259.394 -0.391 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000645803287 374700839 /nfs/dbraw/zinc/70/08/39/374700839.db2.gz NIVUXSODWCLGMR-LLVKDONJSA-N 2 0 269.349 -0.253 20 0 CBADRP C[C@@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)[NH+](C)C ZINC000645440020 374671352 /nfs/dbraw/zinc/67/13/52/374671352.db2.gz FCUOHLOHDJWAEF-NWDGAFQWSA-N 2 0 299.419 -0.302 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000645478966 374674913 /nfs/dbraw/zinc/67/49/13/374674913.db2.gz VVSKOBSUUONQMW-NEPJUHHUSA-N 2 0 254.378 -0.523 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000645685043 374692376 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C[C@H]1C[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)CC[N@@H+]1C ZINC000646210612 374756964 /nfs/dbraw/zinc/75/69/64/374756964.db2.gz ANAKWYNQSLBKGM-SDDRHHMPSA-N 2 0 257.378 -0.245 20 0 CBADRP CC(C)[N@H+](C)CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000645856482 374707199 /nfs/dbraw/zinc/70/71/99/374707199.db2.gz GNZIDANVIOFFNL-UHFFFAOYSA-N 2 0 268.365 -0.303 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000645869898 374709748 /nfs/dbraw/zinc/70/97/48/374709748.db2.gz ZJWTUMCLLRCANC-NEPJUHHUSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645978122 374720837 /nfs/dbraw/zinc/72/08/37/374720837.db2.gz SNOMYCKMLFPCEN-NWDGAFQWSA-N 3 0 268.405 -0.134 20 0 CBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)COCC[NH3+])C2)CC1 ZINC000645977901 374720862 /nfs/dbraw/zinc/72/08/62/374720862.db2.gz NBDWSIWJWUMCMC-GFCCVEGCSA-N 3 0 284.404 -0.754 20 0 CBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H]3C[C@H](F)C[NH2+]3)C2)CC1 ZINC000645977464 374720943 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O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000646009383 374727224 /nfs/dbraw/zinc/72/72/24/374727224.db2.gz GBADWKJXQVJBPH-KGLIPLIRSA-N 2 0 296.415 -0.739 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000646012466 374727531 /nfs/dbraw/zinc/72/75/31/374727531.db2.gz POWKNZJSFVNJBG-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP CC1(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[NH2+]C1 ZINC000646009617 374727681 /nfs/dbraw/zinc/72/76/81/374727681.db2.gz XEWVKQVIBUENPF-ZDUSSCGKSA-N 2 0 296.415 -0.881 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)N1CC[NH+](C)CC1 ZINC000646027033 374731749 /nfs/dbraw/zinc/73/17/49/374731749.db2.gz XSUJFYTXTZIMSO-NEPJUHHUSA-N 2 0 268.405 -0.264 20 0 CBADRP CC(=O)NCC[NH+](C)C/C=C/C[N@H+](C)CCNC(C)=O ZINC000646047160 374734827 /nfs/dbraw/zinc/73/48/27/374734827.db2.gz IBKJXJGXCRYERS-AATRIKPKSA-N 2 0 284.404 -0.322 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000646070766 374738261 /nfs/dbraw/zinc/73/82/61/374738261.db2.gz XFCGFDWDLYHNRE-UTUOFQBUSA-N 2 0 255.362 -0.227 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000646631654 374796453 /nfs/dbraw/zinc/79/64/53/374796453.db2.gz UCMDZMNLFMTBRM-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@H]2CC[NH2+]C2)C1(C)C ZINC000646635410 374796699 /nfs/dbraw/zinc/79/66/99/374796699.db2.gz LPCZAFWPOFAKNT-OPQQBVKSSA-N 2 0 255.362 -0.003 20 0 CBADRP O=C(CC[C@@H]1CCC[NH2+]1)NCC(=O)N1CC[NH2+]CC1 ZINC000646636931 374797155 /nfs/dbraw/zinc/79/71/55/374797155.db2.gz IPNOQIKPWKJDDP-NSHDSACASA-N 2 0 268.361 -0.933 20 0 CBADRP O=C(NCC[NH2+]C1CC1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000646687246 374804660 /nfs/dbraw/zinc/80/46/60/374804660.db2.gz NHRFEEOQHRLNGI-VIFPVBQESA-N 2 0 263.345 -0.032 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC[NH2+]C1CC1 ZINC000646687285 374805006 /nfs/dbraw/zinc/80/50/06/374805006.db2.gz UKWNGBXTCDYGNS-LLVKDONJSA-N 2 0 268.361 -0.887 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000646803744 374816530 /nfs/dbraw/zinc/81/65/30/374816530.db2.gz LTFXKBSLCVLUNH-JGVFFNPUSA-N 2 0 267.337 -0.864 20 0 CBADRP O=C(C[C@H]1CC[NH2+]C1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000646803717 374816674 /nfs/dbraw/zinc/81/66/74/374816674.db2.gz IPOFPHNBBZOGTO-SECBINFHSA-N 2 0 279.348 -0.848 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)CCO1 ZINC000646843641 374825448 /nfs/dbraw/zinc/82/54/48/374825448.db2.gz LCWRMFBENLPUCZ-PWSUYJOCSA-N 2 0 255.362 -0.049 20 0 CBADRP COC[C@]1(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC[NH2+]C1 ZINC000646851254 374827365 /nfs/dbraw/zinc/82/73/65/374827365.db2.gz RGGBSRZWPSCQSX-WZRBSPASSA-N 2 0 271.361 -0.813 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646336386 374770955 /nfs/dbraw/zinc/77/09/55/374770955.db2.gz QSHCVWNBZOAPAP-YNEHKIRRSA-N 2 0 294.399 -0.545 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646336216 374770984 /nfs/dbraw/zinc/77/09/84/374770984.db2.gz LGVDKLZUZDGLOM-PWSUYJOCSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+]CCOCC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000646335007 374770996 /nfs/dbraw/zinc/77/09/96/374770996.db2.gz QIDVLFGUVDUVOC-UHFFFAOYSA-N 2 0 255.362 -0.046 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646338162 374771129 /nfs/dbraw/zinc/77/11/29/374771129.db2.gz CNBPPPWWACYWCZ-QJPTWQEYSA-N 2 0 253.346 -0.425 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646338931 374771162 /nfs/dbraw/zinc/77/11/62/374771162.db2.gz WQCOCVDJDMMKAS-WCQYABFASA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646336384 374771257 /nfs/dbraw/zinc/77/12/57/374771257.db2.gz QSHCVWNBZOAPAP-RWMBFGLXSA-N 2 0 294.399 -0.545 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646343893 374772463 /nfs/dbraw/zinc/77/24/63/374772463.db2.gz VUTMXCLAWWYTHU-AVGNSLFASA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]C1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCC1 ZINC000646350364 374772875 /nfs/dbraw/zinc/77/28/75/374772875.db2.gz ZYHIZWIKGWHBAZ-LLVKDONJSA-N 2 0 252.362 -0.626 20 0 CBADRP [NH3+]CCOCC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000646356181 374774222 /nfs/dbraw/zinc/77/42/22/374774222.db2.gz OGKFLOXVGPVKKN-ZETCQYMHSA-N 2 0 270.358 -0.127 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000646363889 374774510 /nfs/dbraw/zinc/77/45/10/374774510.db2.gz KCRCKGYLJKRKNX-RYUDHWBXSA-N 2 0 266.389 -0.510 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H](C)[NH2+]C2CC2)CC1 ZINC000646410995 374775977 /nfs/dbraw/zinc/77/59/77/374775977.db2.gz AHGAANGMVRJJKT-GFCCVEGCSA-N 2 0 268.405 -0.119 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646384163 374776015 /nfs/dbraw/zinc/77/60/15/374776015.db2.gz FSYRBIFEJFWDKR-NEPJUHHUSA-N 2 0 282.388 -0.701 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000646372000 374776590 /nfs/dbraw/zinc/77/65/90/374776590.db2.gz AWJHTXRUGBNSKH-UHFFFAOYSA-N 2 0 267.373 -0.033 20 0 CBADRP C[C@H](CNC(=O)c1cn(CCCC[NH3+])nn1)[NH+](C)C ZINC000646427139 374778419 /nfs/dbraw/zinc/77/84/19/374778419.db2.gz NZZDLMRDOXZWHI-SNVBAGLBSA-N 2 0 268.365 -0.303 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000647030842 374864765 /nfs/dbraw/zinc/86/47/65/374864765.db2.gz SHCYJDQRCKDAJS-MRVPVSSYSA-N 2 0 268.283 -0.713 20 0 CBADRP C[C@@H](NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)[C@H](C)[NH3+] ZINC000647068703 374878861 /nfs/dbraw/zinc/87/88/61/374878861.db2.gz KFNAEWVLTWHVSS-YIZRAAEISA-N 2 0 251.334 -0.048 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000647073843 374878923 /nfs/dbraw/zinc/87/89/23/374878923.db2.gz MITVNRUXSPDXPJ-XQQFMLRXSA-N 2 0 296.415 -0.122 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000647068700 374879028 /nfs/dbraw/zinc/87/90/28/374879028.db2.gz KFNAEWVLTWHVSS-CIUDSAMLSA-N 2 0 251.334 -0.048 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000647080761 374881171 /nfs/dbraw/zinc/88/11/71/374881171.db2.gz KJGYMPXIAQZPAG-ZIAGYGMSSA-N 2 0 294.374 -0.112 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647086676 374883945 /nfs/dbraw/zinc/88/39/45/374883945.db2.gz VPRNOZYJGDJOOJ-FRRDWIJNSA-N 2 0 267.373 -0.273 20 0 CBADRP C[C@H]1CC2(CN1C(=O)COCC[NH3+])CC[NH2+]CC2 ZINC000647096377 374885851 /nfs/dbraw/zinc/88/58/51/374885851.db2.gz MMCATKCSSRMEDH-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)[C@@H]2C1 ZINC000646918529 374842275 /nfs/dbraw/zinc/84/22/75/374842275.db2.gz YIOFQLCOINWEDO-MJBXVCDLSA-N 2 0 278.400 -0.461 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000646978966 374855587 /nfs/dbraw/zinc/85/55/87/374855587.db2.gz ICZAXPDGUSETSR-WOPDTQHZSA-N 2 0 292.387 -0.242 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000646998018 374858733 /nfs/dbraw/zinc/85/87/33/374858733.db2.gz CJZNRQKVAXGZFD-IJLUTSLNSA-N 2 0 282.388 -0.369 20 0 CBADRP CC[C@@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000647006617 374859084 /nfs/dbraw/zinc/85/90/84/374859084.db2.gz SIIILYANGQYUQC-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574639019 335036203 /nfs/dbraw/zinc/03/62/03/335036203.db2.gz QIJIMVJJQRFRKV-SMDDNHRTSA-N 2 0 283.372 -0.131 20 0 CBADRP C[C@@H]([NH3+])C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000262674780 190060813 /nfs/dbraw/zinc/06/08/13/190060813.db2.gz QXSDJMQEGXVNBZ-LLVKDONJSA-N 2 0 292.383 -0.059 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC2(C1)CC[NH2+]CC2 ZINC000444267014 284574970 /nfs/dbraw/zinc/57/49/70/284574970.db2.gz SYIAELSVXDJJBO-LLVKDONJSA-N 2 0 253.346 -0.423 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)[C@@H](C)C[NH2+]1 ZINC000356397574 248246510 /nfs/dbraw/zinc/24/65/10/248246510.db2.gz XXYVYPRYAPUTKJ-AGIUHOORSA-N 2 0 296.415 -0.395 20 0 CBADRP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC[NH+]2CCC1CC2 ZINC000357001372 248307205 /nfs/dbraw/zinc/30/72/05/248307205.db2.gz SEKNXYAGXJZRMG-AWEZNQCLSA-N 2 0 278.400 -0.317 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000357078217 248320212 /nfs/dbraw/zinc/32/02/12/248320212.db2.gz BXIMSIRVVAGFNR-GFCCVEGCSA-N 2 0 253.350 -0.035 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NCCCC[NH+]1CCOCC1 ZINC000357170347 248329366 /nfs/dbraw/zinc/32/93/66/248329366.db2.gz DZAHAJSDOVYMPY-ZDUSSCGKSA-N 2 0 285.388 -0.407 20 0 CBADRP C[C@H](C[NH3+])C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000357181126 248331924 /nfs/dbraw/zinc/33/19/24/248331924.db2.gz WPVQZGOBOPABBE-MNOVXSKESA-N 2 0 270.377 -0.715 20 0 CBADRP COC[C@H]([NH3+])C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000357176245 248332495 /nfs/dbraw/zinc/33/24/95/248332495.db2.gz NEWMMCQZPXKSNT-XQQFMLRXSA-N 2 0 287.404 -0.034 20 0 CBADRP C[NH2+]CCC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000357245979 248339531 /nfs/dbraw/zinc/33/95/31/248339531.db2.gz WKYOBHJAYOSQET-LBPRGKRZSA-N 2 0 255.362 -0.223 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000357314126 248352032 /nfs/dbraw/zinc/35/20/32/248352032.db2.gz LOZVYXDCCRATQE-NRUUGDAUSA-N 2 0 255.362 -0.132 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000357312087 248352052 /nfs/dbraw/zinc/35/20/52/248352052.db2.gz VJNCFVKZKYWNJM-DCQANWLSSA-N 2 0 255.362 -0.132 20 0 CBADRP CCNC(=O)NC(=O)CN(C)C1CC[NH+](CCO)CC1 ZINC000357653400 248387749 /nfs/dbraw/zinc/38/77/49/248387749.db2.gz WOSSULSCRUTLSZ-UHFFFAOYSA-N 2 0 286.376 -0.779 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364565187 248708466 /nfs/dbraw/zinc/70/84/66/248708466.db2.gz YZJWAFOGDPGKOO-OCCSQVGLSA-N 2 0 266.389 -0.603 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000368451383 248764410 /nfs/dbraw/zinc/76/44/10/248764410.db2.gz RVWODOQFMULFMZ-UONOGXRCSA-N 2 0 280.416 -0.118 20 0 CBADRP CC[NH+](CC)CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000126054205 284627934 /nfs/dbraw/zinc/62/79/34/284627934.db2.gz DKDYSADIAWVPNI-LBPRGKRZSA-N 2 0 272.393 -0.456 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419729699 284626965 /nfs/dbraw/zinc/62/69/65/284626965.db2.gz IOBDPETYRDZICV-JTQLQIEISA-N 2 0 256.350 -0.996 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653128611 412885000 /nfs/dbraw/zinc/88/50/00/412885000.db2.gz ORMYZWRKOJGASK-BLFANLJRSA-N 2 0 253.346 -0.582 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CCO1 ZINC000653130425 412885059 /nfs/dbraw/zinc/88/50/59/412885059.db2.gz KADOCBJDQFLINI-GRYCIOLGSA-N 2 0 253.346 -0.297 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653127641 412885094 /nfs/dbraw/zinc/88/50/94/412885094.db2.gz QLCRIMUAMGCACB-NWDGAFQWSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653126947 412885115 /nfs/dbraw/zinc/88/51/15/412885115.db2.gz QCCXYBFZPDPTOQ-ZPFDUUQYSA-N 2 0 253.346 -0.582 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CCO1 ZINC000653130426 412885308 /nfs/dbraw/zinc/88/53/08/412885308.db2.gz KADOCBJDQFLINI-IJLUTSLNSA-N 2 0 253.346 -0.297 20 0 CBADRP C[C@@]1(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCC[NH2+]C1 ZINC000653129215 412885505 /nfs/dbraw/zinc/88/55/05/412885505.db2.gz BETIBCYMOFRUJJ-YUTCNCBUSA-N 2 0 267.373 -0.272 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC(C)(C)[NH3+])CC1 ZINC000346979705 218077932 /nfs/dbraw/zinc/07/79/32/218077932.db2.gz LQKGXTMBOCICJC-LBPRGKRZSA-N 2 0 268.405 -0.038 20 0 CBADRP C[NH2+]CC1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000347082363 218115393 /nfs/dbraw/zinc/11/53/93/218115393.db2.gz YSKLSCHHVXTCCC-UHFFFAOYSA-N 2 0 280.372 -0.485 20 0 CBADRP C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000347242408 218165469 /nfs/dbraw/zinc/16/54/69/218165469.db2.gz UHEBZEZFTMSQRB-OLZOCXBDSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000347187527 218150631 /nfs/dbraw/zinc/15/06/31/218150631.db2.gz CDXJGFKPWGCDRM-MNOVXSKESA-N 2 0 280.372 -0.357 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000062983192 284775237 /nfs/dbraw/zinc/77/52/37/284775237.db2.gz WJYSUBMHXFAHDE-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])C1 ZINC000420025811 284775917 /nfs/dbraw/zinc/77/59/17/284775917.db2.gz ZFXNIHMRXNTMMB-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])C1 ZINC000420018974 284776024 /nfs/dbraw/zinc/77/60/24/284776024.db2.gz ZFXNIHMRXNTMMB-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000419867740 284776360 /nfs/dbraw/zinc/77/63/60/284776360.db2.gz QNBLSZQIKUJWKY-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP C[N@@H+]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000347660465 218311168 /nfs/dbraw/zinc/31/11/68/218311168.db2.gz WKPKQLPCLPNFKT-LLVKDONJSA-N 2 0 268.361 -0.981 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000347668631 218313640 /nfs/dbraw/zinc/31/36/40/218313640.db2.gz DRNCOTUCQPQDAA-CYBMUJFWSA-N 2 0 287.404 -0.351 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC(=O)N1 ZINC000347989912 218419464 /nfs/dbraw/zinc/41/94/64/218419464.db2.gz BEYSUMNJOYVWHW-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000419987083 284826152 /nfs/dbraw/zinc/82/61/52/284826152.db2.gz CUKPEAHKQAGORP-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP O=C(N1CCC[NH2+]CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000574757060 335044991 /nfs/dbraw/zinc/04/49/91/335044991.db2.gz OFJGVSXUIOIXJY-UHFFFAOYSA-N 2 0 277.372 -0.216 20 0 CBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423437190 284890418 /nfs/dbraw/zinc/89/04/18/284890418.db2.gz TZHLKYMOQOBLHX-CYBMUJFWSA-N 2 0 296.415 -0.120 20 0 CBADRP C[C@@H](O)CN1CCN(C(=O)[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000167993935 207399241 /nfs/dbraw/zinc/39/92/41/207399241.db2.gz OAMZYISDLZVZPQ-QJPTWQEYSA-N 2 0 255.362 -0.491 20 0 CBADRP C[C@@H]1CCN(C(=O)NCCN2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000418292900 207574731 /nfs/dbraw/zinc/57/47/31/207574731.db2.gz DVJLWXKPXVBPMJ-OLZOCXBDSA-N 2 0 283.420 -0.482 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418453124 207585944 /nfs/dbraw/zinc/58/59/44/207585944.db2.gz YSANBRIOQCSKKZ-MNOVXSKESA-N 2 0 258.366 -0.209 20 0 CBADRP [NH3+]C[C@@H](NC(=O)N1CCO[C@H](C[NH3+])C1)C1CCCC1 ZINC000418596753 207597822 /nfs/dbraw/zinc/59/78/22/207597822.db2.gz PBMXIPQPPKCWKI-VXGBXAGGSA-N 2 0 270.377 -0.127 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(CCOC)CC[NH2+]C2)C1 ZINC000376720043 532978707 /nfs/dbraw/zinc/97/87/07/532978707.db2.gz KEQKDVLOSLPJNM-HIFRSBDPSA-N 2 0 299.415 -0.161 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419135330 207646376 /nfs/dbraw/zinc/64/63/76/207646376.db2.gz LCQWDNVJMFRGKD-UTUOFQBUSA-N 2 0 284.404 -0.171 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419133821 207646457 /nfs/dbraw/zinc/64/64/57/207646457.db2.gz HGUNUGOKIWBAGG-RWMBFGLXSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419133411 207646917 /nfs/dbraw/zinc/64/69/17/207646917.db2.gz GSBMXLHOUIFQKG-JHJVBQTASA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419155394 207654871 /nfs/dbraw/zinc/65/48/71/207654871.db2.gz SWTABNUXQXCGIC-UTUOFQBUSA-N 2 0 284.404 -0.348 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000342719936 532979838 /nfs/dbraw/zinc/97/98/38/532979838.db2.gz YHPJWPHQBMHZJX-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000237085631 285026569 /nfs/dbraw/zinc/02/65/69/285026569.db2.gz ILRUQAYUVUWIGJ-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000423382761 285026830 /nfs/dbraw/zinc/02/68/30/285026830.db2.gz PCOHCGMGOXACMB-HIFRSBDPSA-N 2 0 299.415 -0.161 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000246218391 285027715 /nfs/dbraw/zinc/02/77/15/285027715.db2.gz GLBYHYRVGNYARK-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000419890398 207754640 /nfs/dbraw/zinc/75/46/40/207754640.db2.gz MIROXHXRSKWXTN-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@H]1CCCN1S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420466109 207823870 /nfs/dbraw/zinc/82/38/70/207823870.db2.gz ZNNBUQBCLKNLNI-NSHDSACASA-N 2 0 278.422 -0.285 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000423998645 207955418 /nfs/dbraw/zinc/95/54/18/207955418.db2.gz ZXFGNAMOAIKHLA-IJLUTSLNSA-N 2 0 255.362 -0.036 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424057896 207958259 /nfs/dbraw/zinc/95/82/59/207958259.db2.gz KHTBXBNZXGRBOM-UWVGGRQHSA-N 2 0 263.345 -0.032 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424157957 207962154 /nfs/dbraw/zinc/96/21/54/207962154.db2.gz SBNRYMBYVIEYNY-NXEZZACHSA-N 2 0 266.349 -0.330 20 0 CBADRP CCC(=O)N1CCN(CCC(=O)N2CCN(C)CC2)C1 ZINC000425519266 208026175 /nfs/dbraw/zinc/02/61/75/208026175.db2.gz OKLQYEUWTLHEAH-UHFFFAOYSA-N 2 0 282.388 -0.338 20 0 CBADRP CC[C@@H]1CN(CCNC(=O)[C@H]2CN(C)CCO2)CCO1 ZINC000428086307 208076493 /nfs/dbraw/zinc/07/64/93/208076493.db2.gz BCIIOVKLXFLWRK-CHWSQXEVSA-N 2 0 285.388 -0.456 20 0 CBADRP CC[C@H]1CN(CCNC(=O)[C@H]2CN(C)CCO2)CCO1 ZINC000428086313 208076704 /nfs/dbraw/zinc/07/67/04/208076704.db2.gz BCIIOVKLXFLWRK-QWHCGFSZSA-N 2 0 285.388 -0.456 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000429090612 208107732 /nfs/dbraw/zinc/10/77/32/208107732.db2.gz FCHQJHAUAPTCOK-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000430711719 208176831 /nfs/dbraw/zinc/17/68/31/208176831.db2.gz GCDSCGUREZAPRX-SRVKXCTJSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000430636470 208168789 /nfs/dbraw/zinc/16/87/89/208168789.db2.gz JGNZRFZRUAMROK-AAEUAGOBSA-N 2 0 294.399 -0.463 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCN2CCCC2=O)C1 ZINC000430621061 208169224 /nfs/dbraw/zinc/16/92/24/208169224.db2.gz CSYUTIZXFNBNPW-LBPRGKRZSA-N 2 0 282.388 -0.604 20 0 CBADRP CCCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430641004 208169255 /nfs/dbraw/zinc/16/92/55/208169255.db2.gz RWTPFAMPUBIUPT-CYBMUJFWSA-N 2 0 296.415 -0.344 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@H]2CC[NH2+]C2)CCOCC1 ZINC000430703819 208171487 /nfs/dbraw/zinc/17/14/87/208171487.db2.gz HAERDMIHMQZPTC-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+](C)[C@@]1(CNC(=O)COC2C[NH2+]C2)CCSC1 ZINC000430680536 208171807 /nfs/dbraw/zinc/17/18/07/208171807.db2.gz YONSJRHWAGFKRI-GFCCVEGCSA-N 2 0 273.402 -0.472 20 0 CBADRP O=C(COC1C[NH2+]C1)NCCCC[NH+]1CCOCC1 ZINC000430682149 208172898 /nfs/dbraw/zinc/17/28/98/208172898.db2.gz SBUKCSNYBTWSSI-UHFFFAOYSA-N 2 0 271.361 -0.797 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)COC2C[NH2+]C2)CCSC1 ZINC000430680537 208173429 /nfs/dbraw/zinc/17/34/29/208173429.db2.gz YONSJRHWAGFKRI-LBPRGKRZSA-N 2 0 273.402 -0.472 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000430718324 208174307 /nfs/dbraw/zinc/17/43/07/208174307.db2.gz BVVFDUBYIZOBMN-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH2+]CC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000430722606 208176634 /nfs/dbraw/zinc/17/66/34/208176634.db2.gz QSAUMNSVKZIVLN-UHFFFAOYSA-N 2 0 255.362 -0.033 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000237192886 285076207 /nfs/dbraw/zinc/07/62/07/285076207.db2.gz VTRVTHTXSZQJPH-CYBMUJFWSA-N 2 0 287.404 -0.305 20 0 CBADRP CC1CC[NH+](CCNC(=O)COC2C[NH2+]C2)CC1 ZINC000430750009 208177397 /nfs/dbraw/zinc/17/73/97/208177397.db2.gz AKSLJDZVLXMTGH-UHFFFAOYSA-N 2 0 255.362 -0.177 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)NCCC[NH+]1CCC(O)CC1 ZINC000430749878 208178323 /nfs/dbraw/zinc/17/83/23/208178323.db2.gz LTKHEIDDEPAGOC-AWEZNQCLSA-N 2 0 299.415 -0.282 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)COC2C[NH2+]C2)C1 ZINC000430755152 208179555 /nfs/dbraw/zinc/17/95/55/208179555.db2.gz PKJHFORUNXSEBR-LLVKDONJSA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000430771307 208180863 /nfs/dbraw/zinc/18/08/63/208180863.db2.gz CMNGPRBEZHPWTH-LBPRGKRZSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@@H]1C[C@@H](N(C)C(=O)COC2C[NH2+]C2)CC[N@@H+]1C ZINC000430785683 208181012 /nfs/dbraw/zinc/18/10/12/208181012.db2.gz YHLFSTOBZJFYON-MNOVXSKESA-N 2 0 255.362 -0.084 20 0 CBADRP O=C([C@H]1CC[NH2+]C1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000430796498 208182423 /nfs/dbraw/zinc/18/24/23/208182423.db2.gz ZBIZPGHLQMFMTH-OLZOCXBDSA-N 2 0 267.373 -0.223 20 0 CBADRP C[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000430892996 208186127 /nfs/dbraw/zinc/18/61/27/208186127.db2.gz HKSRQXNSBPHIPA-SWLSCSKDSA-N 2 0 296.415 -0.310 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000430893103 208186360 /nfs/dbraw/zinc/18/63/60/208186360.db2.gz CXMOHUMMEMOARV-CHWSQXEVSA-N 2 0 296.415 -0.168 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000430892247 208186607 /nfs/dbraw/zinc/18/66/07/208186607.db2.gz CCEARPIDGKWWFZ-JHJVBQTASA-N 2 0 296.415 -0.183 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000430886508 208188222 /nfs/dbraw/zinc/18/82/22/208188222.db2.gz AMQDAQDCVXHRCZ-OLZOCXBDSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@]1(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC[NH2+]C1 ZINC000430891997 208188496 /nfs/dbraw/zinc/18/84/96/208188496.db2.gz YZIOZUFNQCOZDZ-RISCZKNCSA-N 2 0 282.388 -0.558 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000430882003 208188524 /nfs/dbraw/zinc/18/85/24/208188524.db2.gz GPMNSBZPRSMNHM-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000430897488 208190013 /nfs/dbraw/zinc/19/00/13/208190013.db2.gz NWNBYPABOPRGGB-NWDGAFQWSA-N 2 0 282.388 -0.701 20 0 CBADRP CC(C)(C)[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000430901543 208190737 /nfs/dbraw/zinc/19/07/37/208190737.db2.gz VRIVMWONJKVUOS-GHMZBOCLSA-N 2 0 284.404 -0.184 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000430910968 208191100 /nfs/dbraw/zinc/19/11/00/208191100.db2.gz ZSXOQPJYBYQPHM-CQSZACIVSA-N 2 0 298.431 -0.018 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2CC[C@H]([NH3+])C2)CC1 ZINC000430916426 208191444 /nfs/dbraw/zinc/19/14/44/208191444.db2.gz HGLZKZXBMKOPJV-NSHDSACASA-N 2 0 254.378 -0.380 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000431002321 208196990 /nfs/dbraw/zinc/19/69/90/208196990.db2.gz MNUIBDMHESEDOY-GFCCVEGCSA-N 2 0 254.378 -0.650 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000431017347 208197488 /nfs/dbraw/zinc/19/74/88/208197488.db2.gz PUTKSEROVOFIJA-QWHCGFSZSA-N 2 0 287.404 -0.162 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000431009883 208199939 /nfs/dbraw/zinc/19/99/39/208199939.db2.gz LMEVKQWRUJXMEB-GFCCVEGCSA-N 2 0 256.394 -0.277 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000431013598 208199960 /nfs/dbraw/zinc/19/99/60/208199960.db2.gz YWBKMFMZYNUOKI-JHJVBQTASA-N 2 0 268.405 -0.134 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000431017367 208200003 /nfs/dbraw/zinc/20/00/03/208200003.db2.gz PYEBJQCFKRCEAJ-CYBMUJFWSA-N 2 0 284.404 -0.881 20 0 CBADRP C[NH2+]CC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000431059380 208202142 /nfs/dbraw/zinc/20/21/42/208202142.db2.gz CAICYWIZKPZIKY-NSHDSACASA-N 2 0 255.362 -0.083 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000431027768 208202380 /nfs/dbraw/zinc/20/23/80/208202380.db2.gz KVVFKDTYXCBGLH-KBPBESRZSA-N 2 0 298.431 -0.493 20 0 CBADRP C[NH+](C)CCCNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433401471 208246376 /nfs/dbraw/zinc/24/63/76/208246376.db2.gz SKEDDJYWOYHOEY-LLVKDONJSA-N 2 0 280.376 -0.116 20 0 CBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000432531147 208227729 /nfs/dbraw/zinc/22/77/29/208227729.db2.gz LQMLJBYLLQSROM-RWMBFGLXSA-N 2 0 267.373 -0.347 20 0 CBADRP CCOC(=O)CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433147354 208239073 /nfs/dbraw/zinc/23/90/73/208239073.db2.gz YMQNJIIVBKPJCG-UHFFFAOYSA-N 2 0 271.361 -0.131 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H](C[NH3+])C(C)C)CC1 ZINC000433156788 208239083 /nfs/dbraw/zinc/23/90/83/208239083.db2.gz CXXJHODSDUJSLM-CYBMUJFWSA-N 2 0 270.421 -0.029 20 0 CBADRP CC(C)[C@H](C[NH3+])C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000433167769 208239908 /nfs/dbraw/zinc/23/99/08/208239908.db2.gz JWYJQRXCANZTRO-OLZOCXBDSA-N 2 0 270.421 -0.031 20 0 CBADRP CC(C)(CNC(=O)CCC[NH+]1CCC([NH3+])CC1)C(N)=O ZINC000433131987 208240643 /nfs/dbraw/zinc/24/06/43/208240643.db2.gz WGVZILFYSOYQHZ-UHFFFAOYSA-N 2 0 284.404 -0.183 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000434876558 208271488 /nfs/dbraw/zinc/27/14/88/208271488.db2.gz YSHDDNPTTGHEMC-VXGBXAGGSA-N 2 0 287.429 -0.082 20 0 CBADRP C[C@H]([NH3+])CCC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000434692165 208263827 /nfs/dbraw/zinc/26/38/27/208263827.db2.gz WFVLSWIFXRJPIN-QWRGUYRKSA-N 2 0 270.377 -0.430 20 0 CBADRP C[C@H]([NH3+])CCC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000434679121 208265159 /nfs/dbraw/zinc/26/51/59/208265159.db2.gz AYHBPWKIUMGNQW-RYUDHWBXSA-N 2 0 284.404 -0.183 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000434698202 208265878 /nfs/dbraw/zinc/26/58/78/208265878.db2.gz DDFHLMAJRGVRSW-SCVCMEIPSA-N 2 0 270.377 -0.705 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCn1cncn1 ZINC000436063314 208288127 /nfs/dbraw/zinc/28/81/27/208288127.db2.gz KUADPHYHRMZRFS-GFCCVEGCSA-N 2 0 280.376 -0.402 20 0 CBADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000442765398 208366138 /nfs/dbraw/zinc/36/61/38/208366138.db2.gz JLPXHNKAQGRYDQ-RYUDHWBXSA-N 2 0 255.362 -0.096 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000447440980 208460439 /nfs/dbraw/zinc/46/04/39/208460439.db2.gz NRAUELGPNAPADO-ZDUSSCGKSA-N 2 0 287.404 -0.033 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423073673 285206290 /nfs/dbraw/zinc/20/62/90/285206290.db2.gz RTTHQBIHRFMIFS-UHFFFAOYSA-N 2 0 298.431 -0.016 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420040493 285255857 /nfs/dbraw/zinc/25/58/57/285255857.db2.gz OXQSWGLBEXBZFI-VXGBXAGGSA-N 2 0 282.388 -0.560 20 0 CBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C2([NH3+])CC2)CC1 ZINC000353182768 285317601 /nfs/dbraw/zinc/31/76/01/285317601.db2.gz KTAXIAHXKCYBKI-LBPRGKRZSA-N 2 0 268.405 -0.133 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000517741367 260014267 /nfs/dbraw/zinc/01/42/67/260014267.db2.gz LENMMRDTFHPBTM-AXFHLTTASA-N 2 0 269.345 -0.665 20 0 CBADRP C[C@@H]([NH3+])C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000575044786 335058417 /nfs/dbraw/zinc/05/84/17/335058417.db2.gz YOBUOYUAIKPGFQ-HTQZYQBOSA-N 2 0 268.283 -0.714 20 0 CBADRP [NH3+]CC[C@H]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000521041544 260031469 /nfs/dbraw/zinc/03/14/69/260031469.db2.gz PNRFPIQGYPCGNH-NEPJUHHUSA-N 2 0 282.388 -0.558 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424159547 285332304 /nfs/dbraw/zinc/33/23/04/285332304.db2.gz VQKXTRNXEVGKPF-TUAOUCFPSA-N 2 0 254.378 -0.524 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000349009563 285332570 /nfs/dbraw/zinc/33/25/70/285332570.db2.gz XJHQECBKMODNFP-ZDUSSCGKSA-N 2 0 298.431 -0.493 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000376696777 285333137 /nfs/dbraw/zinc/33/31/37/285333137.db2.gz ZITNKTPHUQCFES-JSGCOSHPSA-N 2 0 286.395 -0.170 20 0 CBADRP COC1(C(=O)NCC[N@H+](C)C2CC2)CC[NH2+]CC1 ZINC000261567021 292093478 /nfs/dbraw/zinc/09/34/78/292093478.db2.gz INDOHLFBJCEFBC-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP CO[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCO)[C@H]2C)[N@H+](C)C1 ZINC000332674736 286083604 /nfs/dbraw/zinc/08/36/04/286083604.db2.gz GFWYSBUBSWAKRR-RQJABVFESA-N 2 0 299.415 -0.381 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)COC2C[NH2+]C2)C1 ZINC000430775748 289377463 /nfs/dbraw/zinc/37/74/63/289377463.db2.gz MDKDHWAWHQWTKC-QWRGUYRKSA-N 2 0 255.362 -0.036 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000417760043 292337068 /nfs/dbraw/zinc/33/70/68/292337068.db2.gz XDKYOOPHYNLPPY-GHMZBOCLSA-N 2 0 260.382 -0.010 20 0 CBADRP C[C@H](C(N)=O)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247193315 298242492 /nfs/dbraw/zinc/24/24/92/298242492.db2.gz OGMONRTZDITQTC-WDEREUQCSA-N 2 0 257.378 -0.115 20 0 CBADRP COC[C@@]1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000514861538 292958910 /nfs/dbraw/zinc/95/89/10/292958910.db2.gz XIPWOFHGACBIEL-UONOGXRCSA-N 2 0 267.373 -0.176 20 0 CBADRP C[C@H]1CCCN(C(=O)CCOC2C[NH2+]C2)[C@H]1C[NH3+] ZINC000349026739 299820949 /nfs/dbraw/zinc/82/09/49/299820949.db2.gz KSKPWLHJHRGCGS-JQWIXIFHSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000420030999 286826199 /nfs/dbraw/zinc/82/61/99/286826199.db2.gz RBFBVJFEBBGWIM-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP O=C([C@H]1CCC[NH2+]1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000515299888 304431254 /nfs/dbraw/zinc/43/12/54/304431254.db2.gz OFVGLLZVZBEZMR-CHWSQXEVSA-N 2 0 294.399 -0.591 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000419428615 298523539 /nfs/dbraw/zinc/52/35/39/298523539.db2.gz TZQXYCLRDOEOOX-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[N@@H+]1C[C@@H](C)O ZINC000262058141 287157321 /nfs/dbraw/zinc/15/73/21/287157321.db2.gz RLQCQFFGJIJNLH-SYQHCUMBSA-N 2 0 299.415 -0.204 20 0 CBADRP CC[C@@H]1CN(CCOCC[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000357077966 287195922 /nfs/dbraw/zinc/19/59/22/287195922.db2.gz JOPUVZVYDIVBGN-CHWSQXEVSA-N 2 0 259.394 -0.261 20 0 CBADRP C[C@](C[NH3+])(NCC(=O)NC[C@H]1CCCO1)C1CC1 ZINC000576280307 335181894 /nfs/dbraw/zinc/18/18/94/335181894.db2.gz IVRIIVWUVJDILQ-DGCLKSJQSA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NCCC[NH+]1CCCCC1 ZINC000037631204 411623984 /nfs/dbraw/zinc/62/39/84/411623984.db2.gz SCLNRMCGBCOYQY-UHFFFAOYSA-N 2 0 268.405 -0.116 20 0 CBADRP CC(C)[NH+](CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C(C)C ZINC000020433890 171199116 /nfs/dbraw/zinc/19/91/16/171199116.db2.gz WNNQOUDLAWNLJA-NEPJUHHUSA-N 2 0 257.378 -0.056 20 0 CBADRP COCC[NH2+]CC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000237180041 292559045 /nfs/dbraw/zinc/55/90/45/292559045.db2.gz YDRRRTBYOVBDCE-STQMWFEESA-N 2 0 287.404 -0.162 20 0 CBADRP C[NH+](C)C/C=C\C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000491871515 412290002 /nfs/dbraw/zinc/29/00/02/412290002.db2.gz QSAXEMJBWMOODT-LLPBQKLSSA-N 2 0 296.415 -0.192 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC[C@H]1F ZINC000662750627 413990716 /nfs/dbraw/zinc/99/07/16/413990716.db2.gz VJFJNZXNUWSULR-JMJZKYOTSA-N 2 0 281.335 -0.002 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)n1 ZINC000662750469 413992116 /nfs/dbraw/zinc/99/21/16/413992116.db2.gz SOZQIRJSJYQNOG-GHMZBOCLSA-N 2 0 291.355 -0.212 20 0 CBADRP O=C(N1CCC(OCC[NH+]2CCCC2)CC1)C1(O)C[NH2+]C1 ZINC000662745812 413993964 /nfs/dbraw/zinc/99/39/64/413993964.db2.gz GZRSMVMJNLQXFM-UHFFFAOYSA-N 2 0 297.399 -0.576 20 0 CBADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662747360 413994345 /nfs/dbraw/zinc/99/43/45/413994345.db2.gz UPRGKHKSLRJVDU-NSHDSACASA-N 2 0 255.362 -0.489 20 0 CBADRP O=C(N1CC[C@H](C[NH+]2CCCCC2)C1)C1(O)C[NH2+]C1 ZINC000662747407 413994365 /nfs/dbraw/zinc/99/43/65/413994365.db2.gz WXAQJOOGTYOFDI-GFCCVEGCSA-N 2 0 267.373 -0.345 20 0 CBADRP C[C@@H]([NH3+])C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900535 414061333 /nfs/dbraw/zinc/06/13/33/414061333.db2.gz NCRGZCODKNMEOJ-DGCLKSJQSA-N 2 0 268.405 -0.040 20 0 CBADRP C[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662901177 414060600 /nfs/dbraw/zinc/06/06/00/414060600.db2.gz UFPVPGLRDNWJEG-CYBMUJFWSA-N 2 0 268.405 -0.167 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCC[NH+]2CCCC2)C1 ZINC000040631449 174358507 /nfs/dbraw/zinc/35/85/07/174358507.db2.gz NVZBPXPJUKQWMG-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP CCC[N@H+](CCN1CC[NH2+]CC1)CC(=O)N(C)C ZINC000043499902 175058790 /nfs/dbraw/zinc/05/87/90/175058790.db2.gz ULQJSQXPFCBQBR-UHFFFAOYSA-N 2 0 256.394 -0.308 20 0 CBADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000043709229 175102650 /nfs/dbraw/zinc/10/26/50/175102650.db2.gz DNSGQYWHXRDMLB-PWSUYJOCSA-N 2 0 253.346 -0.425 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000043799064 175106107 /nfs/dbraw/zinc/10/61/07/175106107.db2.gz ZQPUKKOOISMLME-AWEZNQCLSA-N 2 0 297.399 -0.454 20 0 CBADRP Cn1cc(C[NH2+]CC2CC[NH+](C)CC2)c(=O)n(C)c1=O ZINC000044515908 175190137 /nfs/dbraw/zinc/19/01/37/175190137.db2.gz OROBRTTZIJUWGO-UHFFFAOYSA-N 2 0 280.372 -0.485 20 0 CBADRP C[C@@H]1CCCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@@H]1C[NH3+] ZINC000354669311 287328354 /nfs/dbraw/zinc/32/83/54/287328354.db2.gz IBCQHIFTQVCWIZ-FRRDWIJNSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]1CCCN(CCC(=O)N2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC000262103812 287346830 /nfs/dbraw/zinc/34/68/30/287346830.db2.gz MERKJTWECDXILX-CHWSQXEVSA-N 2 0 268.405 -0.133 20 0 CBADRP C[C@@H]1C[C@@H](C[NH+]2CCN(S(C)(=O)=O)CC2)CC[NH2+]1 ZINC000235381641 288506323 /nfs/dbraw/zinc/50/63/23/288506323.db2.gz VXMAIRSURUHIAV-NEPJUHHUSA-N 2 0 275.418 -0.048 20 0 CBADRP CC(C)[NH2+]CC(=O)NCCCN1CC[NH+](C)CC1 ZINC000040808859 544418518 /nfs/dbraw/zinc/41/85/18/544418518.db2.gz AQVCFBHIMJRKOG-UHFFFAOYSA-N 2 0 256.394 -0.262 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1=O ZINC000073433719 544422721 /nfs/dbraw/zinc/42/27/21/544422721.db2.gz ASPUNBNTOLYJJT-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)C(C)(C)CNC(=O)c1cn(CC[NH3+])nn1 ZINC000089700194 544436174 /nfs/dbraw/zinc/43/61/74/544436174.db2.gz LGULGPHIHIXLBU-UHFFFAOYSA-N 2 0 254.338 -0.693 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000089700154 544436352 /nfs/dbraw/zinc/43/63/52/544436352.db2.gz PNSDGUZEJJMFPD-SECBINFHSA-N 2 0 252.322 -0.939 20 0 CBADRP CC(C)C[C@@H](CNC(=O)c1cn(CC[NH3+])nn1)[NH+](C)C ZINC000089700253 544436784 /nfs/dbraw/zinc/43/67/84/544436784.db2.gz ANPRZMMYMWAAMW-NSHDSACASA-N 2 0 282.392 -0.057 20 0 CBADRP CC[NH+](CC)CCCNC(=O)c1cn(CC[NH3+])nn1 ZINC000089698275 544436935 /nfs/dbraw/zinc/43/69/35/544436935.db2.gz HBSRKCNJBLDLLZ-UHFFFAOYSA-N 2 0 268.365 -0.302 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)COCC[NH3+])CC1 ZINC000093231682 544442320 /nfs/dbraw/zinc/44/23/20/544442320.db2.gz JWEVTCLIVAROLL-UHFFFAOYSA-N 2 0 259.350 -0.858 20 0 CBADRP C[N@H+](CCC[NH3+])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093695940 544444355 /nfs/dbraw/zinc/44/43/55/544444355.db2.gz XCZRBJPUVQYBDQ-LLVKDONJSA-N 2 0 263.407 -0.061 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)COC2(C)C[NH2+]C2)CC[N@@H+]1C ZINC000098061767 544447203 /nfs/dbraw/zinc/44/72/03/544447203.db2.gz CIMVPKGJBVRQDZ-QWRGUYRKSA-N 2 0 255.362 -0.036 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000226078899 544492659 /nfs/dbraw/zinc/49/26/59/544492659.db2.gz QKWAJJAMWRJGNO-SECBINFHSA-N 2 0 252.322 -0.939 20 0 CBADRP C[NH+]1CCC(CCNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000229943639 544499703 /nfs/dbraw/zinc/49/97/03/544499703.db2.gz PUOFNIDRBMXGBY-UHFFFAOYSA-N 2 0 268.405 -0.260 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000167660163 544478785 /nfs/dbraw/zinc/47/87/85/544478785.db2.gz IVGKYPYKEBIEEY-CHWSQXEVSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000333813738 544546248 /nfs/dbraw/zinc/54/62/48/544546248.db2.gz JULOVMGDHLFFRR-FRRDWIJNSA-N 2 0 284.404 -0.165 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2CCCC[NH2+]2)CC1=O ZINC000237160881 544508800 /nfs/dbraw/zinc/50/88/00/544508800.db2.gz HIPOILFMJFCVFN-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H]1CCCN(CCC(=O)N2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC000262103816 544517369 /nfs/dbraw/zinc/51/73/69/544517369.db2.gz MERKJTWECDXILX-QWHCGFSZSA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000353436305 544562759 /nfs/dbraw/zinc/56/27/59/544562759.db2.gz XTUMPGXHTHZYFL-LSDHHAIUSA-N 2 0 294.443 -0.014 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)CN1CC[NH2+]CC1 ZINC000037825218 419411328 /nfs/dbraw/zinc/41/13/28/419411328.db2.gz JSYXTESOYRXBPB-UHFFFAOYSA-N 2 0 270.421 -0.062 20 0 CBADRP C[N@@H+]1CC[C@]2(C1)CCCN(CCN1C(=O)CNC1=O)C2 ZINC000660658706 419418007 /nfs/dbraw/zinc/41/80/07/419418007.db2.gz JIEVJBHGFAMDPI-AWEZNQCLSA-N 2 0 280.372 -0.044 20 0 CBADRP COC(=O)NCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000103212736 419479820 /nfs/dbraw/zinc/47/98/20/419479820.db2.gz DPRIWDYEEREIPE-UHFFFAOYSA-N 2 0 274.365 -0.706 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cn1ccccc1=O ZINC000103212241 419479901 /nfs/dbraw/zinc/47/99/01/419479901.db2.gz KBFXRCSXZDUUPN-UHFFFAOYSA-N 2 0 294.399 -0.200 20 0 CBADRP O=C(NCC[NH+]1CCCCCC1)[C@@H]1C[NH2+]CCO1 ZINC000043800539 419430074 /nfs/dbraw/zinc/43/00/74/419430074.db2.gz HSNWHESPHCAYHF-LBPRGKRZSA-N 2 0 255.362 -0.033 20 0 CBADRP C[N@@H+]1CCC[C@@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC000044538854 419430121 /nfs/dbraw/zinc/43/01/21/419430121.db2.gz ISNSCRMVMSEQAU-LBPRGKRZSA-N 2 0 254.378 -0.650 20 0 CBADRP C[NH2+]CCOCCNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000625863995 419431496 /nfs/dbraw/zinc/43/14/96/419431496.db2.gz DQLNEMIQUFHDAN-UHFFFAOYSA-N 2 0 298.391 -0.198 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)CN1CC[NH2+]CC1 ZINC000063124158 419464207 /nfs/dbraw/zinc/46/42/07/419464207.db2.gz OGKUQEFSBLECQA-UHFFFAOYSA-N 2 0 268.405 -0.308 20 0 CBADRP O=C(CCN1CC[C@H]([NH+]2CCCC2)C1)N1CC[NH2+]CC1 ZINC000062980249 419465220 /nfs/dbraw/zinc/46/52/20/419465220.db2.gz XYIBZFGQKNOUDT-AWEZNQCLSA-N 2 0 280.416 -0.022 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000063124115 419465983 /nfs/dbraw/zinc/46/59/83/419465983.db2.gz NDWBXWIUUWBENJ-NWDGAFQWSA-N 2 0 255.362 -0.491 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@]2(C)C[NH2+]CCO2)n1 ZINC000638089413 419527229 /nfs/dbraw/zinc/52/72/29/419527229.db2.gz QXSCAWHTRFARDN-CYBMUJFWSA-N 2 0 281.360 -0.238 20 0 CBADRP CCOC[C@H](O)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662157736 419551866 /nfs/dbraw/zinc/55/18/66/419551866.db2.gz PWLJLTVAALGQGM-ZIAGYGMSSA-N 2 0 272.389 -0.085 20 0 CBADRP CC[N@@H+]1CCN(C[C@H](O)C[NH+](C)CCOC)C[C@H]1C ZINC000388954274 544577562 /nfs/dbraw/zinc/57/75/62/544577562.db2.gz ZRUZEEYWCJRVIV-ZIAGYGMSSA-N 2 0 273.421 -0.049 20 0 CBADRP CC(C)C[N@@H+](CC(N)=O)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252305 419562562 /nfs/dbraw/zinc/56/25/62/419562562.db2.gz OYNYCXIUDRMLPC-NSHDSACASA-N 2 0 255.362 -0.049 20 0 CBADRP COC[C@@H](C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])OC ZINC000662271683 419566552 /nfs/dbraw/zinc/56/65/52/419566552.db2.gz IKQFALGCOHASSY-QWHCGFSZSA-N 2 0 287.404 -0.033 20 0 CBADRP CC(C)(C[NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394379117 544579648 /nfs/dbraw/zinc/57/96/48/544579648.db2.gz BSYOARJHOFYIII-LLVKDONJSA-N 2 0 254.378 -0.523 20 0 CBADRP [NH3+][C@H](CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)C1CC1 ZINC000662550103 419637272 /nfs/dbraw/zinc/63/72/72/419637272.db2.gz AKKZWPLUSFHZRD-MWLCHTKSSA-N 2 0 263.345 -0.046 20 0 CBADRP C[C@H](NC(=O)COC1(C)C[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000647723927 419638493 /nfs/dbraw/zinc/63/84/93/419638493.db2.gz AUWSDAQNLVMPFW-QWRGUYRKSA-N 2 0 255.362 -0.131 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000236873019 419571015 /nfs/dbraw/zinc/57/10/15/419571015.db2.gz LCHIYFKJMGMPFN-OLZOCXBDSA-N 2 0 268.405 -0.133 20 0 CBADRP C[C@@H]1CN(CCNC2(CO)CC[NH2+]CC2)CCO1 ZINC000662284990 419571631 /nfs/dbraw/zinc/57/16/31/419571631.db2.gz SZPLINRYDIXUHS-GFCCVEGCSA-N 2 0 257.378 -0.589 20 0 CBADRP O[C@@H]1C[C@H]2CN(C[C@H]3CCC4(C[NH2+]C4)O3)CC[N@@H+]2C1 ZINC000662285017 419571708 /nfs/dbraw/zinc/57/17/08/419571708.db2.gz UKANGNVMQXWQQQ-YNEHKIRRSA-N 2 0 267.373 -0.742 20 0 CBADRP O=C(CNC1(CO)CC[NH2+]CC1)NC1CCCC1 ZINC000662285769 419573140 /nfs/dbraw/zinc/57/31/40/419573140.db2.gz HKYIHTKONRQOND-UHFFFAOYSA-N 2 0 255.362 -0.251 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CC12CC[NH2+]CC2 ZINC000394382412 544580559 /nfs/dbraw/zinc/58/05/59/544580559.db2.gz WFVXCQPNVSUYDC-KBPBESRZSA-N 2 0 292.427 -0.118 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394381697 544580674 /nfs/dbraw/zinc/58/06/74/544580674.db2.gz OCRCYRHFFDBRIT-RWMBFGLXSA-N 2 0 266.389 -0.380 20 0 CBADRP C[NH+]1CCC(NC(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000237108321 419576430 /nfs/dbraw/zinc/57/64/30/419576430.db2.gz UUBBOIHGSSPLKS-LBPRGKRZSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]C1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CCC1 ZINC000394380052 544581512 /nfs/dbraw/zinc/58/15/12/544581512.db2.gz GGSHMCRVLATOTP-LLVKDONJSA-N 2 0 252.362 -0.626 20 0 CBADRP COCC1([N@H+](C)CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000662297104 419581754 /nfs/dbraw/zinc/58/17/54/419581754.db2.gz AKSHSFDLAKIECS-UHFFFAOYSA-N 2 0 255.362 -0.081 20 0 CBADRP C[C@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000237454681 419582703 /nfs/dbraw/zinc/58/27/03/419582703.db2.gz PHYIFCJUUJTXFT-OCCSQVGLSA-N 2 0 268.405 -0.262 20 0 CBADRP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C[C@H]1COCCO1 ZINC000662307486 419582948 /nfs/dbraw/zinc/58/29/48/419582948.db2.gz WHEJRIXLYJEADP-RYUDHWBXSA-N 2 0 256.346 -0.145 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000662315605 419583873 /nfs/dbraw/zinc/58/38/73/419583873.db2.gz GSHGOUBBYCARGC-LBPRGKRZSA-N 2 0 255.362 -0.094 20 0 CBADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)C[C@H]1COCCO1 ZINC000662306700 419586232 /nfs/dbraw/zinc/58/62/32/419586232.db2.gz RXTBTIXKZMXEFI-LBPRGKRZSA-N 2 0 271.361 -0.845 20 0 CBADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662386534 419592752 /nfs/dbraw/zinc/59/27/52/419592752.db2.gz BVRWBWFAELDZDX-LLVKDONJSA-N 2 0 280.376 -0.159 20 0 CBADRP [NH3+]CCn1cc(C(=O)NCC2([NH3+])CCCCC2)nn1 ZINC000662393953 419593404 /nfs/dbraw/zinc/59/34/04/419593404.db2.gz YQHJVKOESNQQSY-UHFFFAOYSA-N 2 0 266.349 -0.372 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662395269 419593861 /nfs/dbraw/zinc/59/38/61/419593861.db2.gz KTEPUMJIXFOWJV-VHSXEESVSA-N 2 0 263.345 -0.032 20 0 CBADRP CC1(C)C[NH2+]CCN1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000647500448 419594790 /nfs/dbraw/zinc/59/47/90/419594790.db2.gz PKMLKYAJOSESKU-LBPRGKRZSA-N 2 0 268.405 -0.133 20 0 CBADRP CC(C)[NH2+]CC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000662404366 419594946 /nfs/dbraw/zinc/59/49/46/419594946.db2.gz GWAJTQDPXZCMTI-LLVKDONJSA-N 2 0 270.377 -0.702 20 0 CBADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000662403860 419595478 /nfs/dbraw/zinc/59/54/78/419595478.db2.gz BLCKLKGNPSPBSG-RYUDHWBXSA-N 2 0 296.415 -0.312 20 0 CBADRP C[NH+](C)C[C@@H](O)CNC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647516304 419596244 /nfs/dbraw/zinc/59/62/44/419596244.db2.gz DPVJWCMTDQXVIF-JKSUJKDBSA-N 2 0 295.427 -0.009 20 0 CBADRP CC(C)C[C@H](C[NH3+])CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000662401262 419596730 /nfs/dbraw/zinc/59/67/30/419596730.db2.gz LFQPOWPQQFGXFV-LBPRGKRZSA-N 2 0 284.404 -0.455 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000647711806 419639905 /nfs/dbraw/zinc/63/99/05/419639905.db2.gz GZFHIPDXTSAVAA-UONOGXRCSA-N 2 0 299.415 -0.472 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262037359 419598134 /nfs/dbraw/zinc/59/81/34/419598134.db2.gz KTBBJEBSCAGEAQ-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000662561165 419639977 /nfs/dbraw/zinc/63/99/77/419639977.db2.gz PQXPFEHUPNZUOF-UWVGGRQHSA-N 2 0 296.337 -0.063 20 0 CBADRP C[NH2+]C[C@H](O)CNC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647526527 419603563 /nfs/dbraw/zinc/60/35/63/419603563.db2.gz APXABEDMIXEIAE-LSDHHAIUSA-N 2 0 281.400 -0.351 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000647540393 419606388 /nfs/dbraw/zinc/60/63/88/419606388.db2.gz MZIDIMQEWYNRTF-AVGNSLFASA-N 2 0 286.395 -0.185 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000662449916 419609254 /nfs/dbraw/zinc/60/92/54/419609254.db2.gz YSLXQOPRZYHJKE-NWDGAFQWSA-N 2 0 256.394 -0.264 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000662560519 419640294 /nfs/dbraw/zinc/64/02/94/419640294.db2.gz FWZVJLXDVKIJNE-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP CO[C@]1(CO)CCCN(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000401706109 544585116 /nfs/dbraw/zinc/58/51/16/544585116.db2.gz DRAYDUWQJRNSEG-ZIAGYGMSSA-N 2 0 272.389 -0.085 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000662479774 419616154 /nfs/dbraw/zinc/61/61/54/419616154.db2.gz MRWQSJFHDUOSFA-QWHCGFSZSA-N 2 0 270.421 -0.016 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000311177375 419619239 /nfs/dbraw/zinc/61/92/39/419619239.db2.gz WTVUJEPCHIKXAI-AVGNSLFASA-N 2 0 257.378 -0.923 20 0 CBADRP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])C1=CC[N@H+](C)CC1 ZINC000647595063 419619750 /nfs/dbraw/zinc/61/97/50/419619750.db2.gz LMNMSXAWJUUUCC-SDDRHHMPSA-N 2 0 296.415 -0.005 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000647597729 419620258 /nfs/dbraw/zinc/62/02/58/419620258.db2.gz KBNWLWRHXLNOFD-HBNTYKKESA-N 2 0 270.377 -0.561 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000647605611 419622931 /nfs/dbraw/zinc/62/29/31/419622931.db2.gz AYSHXIWNBRELSP-UTUOFQBUSA-N 2 0 252.362 -0.852 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)COC2(C)C[NH2+]C2)C1 ZINC000647605979 419623668 /nfs/dbraw/zinc/62/36/68/419623668.db2.gz SXMWNNSGGYECRW-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000332241814 419661959 /nfs/dbraw/zinc/66/19/59/419661959.db2.gz AKVQVHURVAESGM-CYBMUJFWSA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@H](CN1CCOCC1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000647828799 419663996 /nfs/dbraw/zinc/66/39/96/419663996.db2.gz ZEMCULXNSKNOJQ-KGLIPLIRSA-N 2 0 298.431 -0.506 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000647828573 419664333 /nfs/dbraw/zinc/66/43/33/419664333.db2.gz MVTHAJUBIFQYBU-ZIAGYGMSSA-N 2 0 299.415 -0.031 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000331503642 419664316 /nfs/dbraw/zinc/66/43/16/419664316.db2.gz SLOUMKIVZZUBGI-CHWSQXEVSA-N 2 0 296.415 -0.265 20 0 CBADRP CN(CCN1CC[NH2+]CC1)Cc1nc(C(C)(C)[NH3+])no1 ZINC000647834748 419664695 /nfs/dbraw/zinc/66/46/95/419664695.db2.gz NFMBKOOCLKRQQS-UHFFFAOYSA-N 2 0 282.392 -0.400 20 0 CBADRP CC1(OCC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[NH2+]C1 ZINC000647829478 419666130 /nfs/dbraw/zinc/66/61/30/419666130.db2.gz MKFLAOGYOHNKFV-WDEREUQCSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H](CN1CCOCC1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000647828800 419666442 /nfs/dbraw/zinc/66/64/42/419666442.db2.gz ZEMCULXNSKNOJQ-UONOGXRCSA-N 2 0 298.431 -0.506 20 0 CBADRP [NH3+]C1(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCCC1 ZINC000662648237 419667675 /nfs/dbraw/zinc/66/76/75/419667675.db2.gz HSHUJTBYVUXYJW-JTQLQIEISA-N 2 0 268.361 -0.758 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000662659359 419674766 /nfs/dbraw/zinc/67/47/66/419674766.db2.gz KKMNZYHHMISLFE-SWLSCSKDSA-N 2 0 296.415 -0.536 20 0 CBADRP CC(=O)N1CC[C@]([NH3+])(C(=O)N(C)CC[C@H]([NH3+])C(C)C)C1 ZINC000647871212 419675454 /nfs/dbraw/zinc/67/54/54/419675454.db2.gz ZSTNNWKJDRNTSE-GXTWGEPZSA-N 2 0 284.404 -0.232 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)C1(O)C[NH2+]C1)Cc1ccccc1 ZINC000662663218 419675520 /nfs/dbraw/zinc/67/55/20/419675520.db2.gz MKAFPPZUPLIXFE-CYBMUJFWSA-N 2 0 277.368 -0.390 20 0 CBADRP O=C(NC1CC[NH+](C2CCCC2)CC1)C1(O)C[NH2+]C1 ZINC000662676447 419676624 /nfs/dbraw/zinc/67/66/24/419676624.db2.gz VXKVQZQHXPSKHS-UHFFFAOYSA-N 2 0 267.373 -0.156 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662673383 419677431 /nfs/dbraw/zinc/67/74/31/419677431.db2.gz JNLJZVFKPMBCSM-NWDGAFQWSA-N 2 0 255.362 -0.097 20 0 CBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000662671595 419678551 /nfs/dbraw/zinc/67/85/51/419678551.db2.gz OKEYWIHZJWSDIQ-NWDGAFQWSA-N 2 0 255.362 -0.048 20 0 CBADRP CN1CCN(C(=O)Cc2cnn3ccccc23)[C@@H](C[NH3+])C1 ZINC000647874432 419678773 /nfs/dbraw/zinc/67/87/73/419678773.db2.gz VWXIKASNUHASSO-ZDUSSCGKSA-N 2 0 287.367 -0.022 20 0 CBADRP CN1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)[C@@H](C[NH3+])C1 ZINC000647873516 419679285 /nfs/dbraw/zinc/67/92/85/419679285.db2.gz UYDHXLGDBPGIJB-WDEREUQCSA-N 2 0 277.372 -0.069 20 0 CBADRP C[N@H+](CCCNC(=O)C1(O)C[NH2+]C1)Cc1ccccc1 ZINC000662672370 419679479 /nfs/dbraw/zinc/67/94/79/419679479.db2.gz UDVWWBAMEFDUOD-UHFFFAOYSA-N 2 0 277.368 -0.041 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)C1(O)C[NH2+]C1)C1CCCCC1 ZINC000662678581 419679597 /nfs/dbraw/zinc/67/95/97/419679597.db2.gz GTSGXIXVIDXLET-GFCCVEGCSA-N 2 0 269.389 -0.053 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)[C@@H](C[NH3+])C1 ZINC000647874209 419679686 /nfs/dbraw/zinc/67/96/86/419679686.db2.gz IMHAKJVDTTXVLD-UWVGGRQHSA-N 3 0 276.331 -0.668 20 0 CBADRP C[C@H](CNC(=O)C1(O)C[NH2+]C1)[N@@H+]1CCCC[C@@H]1C ZINC000662680381 419680816 /nfs/dbraw/zinc/68/08/16/419680816.db2.gz SURSVNILMKHMGU-WDEREUQCSA-N 2 0 255.362 -0.300 20 0 CBADRP Cn1nc(C2CC2)nc1CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000647874449 419681099 /nfs/dbraw/zinc/68/10/99/419681099.db2.gz WSAIWHBLMZQWNV-NSHDSACASA-N 2 0 292.387 -0.664 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000662682326 419681356 /nfs/dbraw/zinc/68/13/56/419681356.db2.gz RJZRLRGGGHAZEY-WOPDTQHZSA-N 2 0 255.362 -0.192 20 0 CBADRP CCNC(=O)CCC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000647873406 419682111 /nfs/dbraw/zinc/68/21/11/419682111.db2.gz GGBMEBORNJUAOL-JTQLQIEISA-N 2 0 256.350 -0.996 20 0 CBADRP COC[C@@]1(C(=O)N2CC3CC2(C[NH3+])C3)CC[NH2+]C1 ZINC000662683617 419682918 /nfs/dbraw/zinc/68/29/18/419682918.db2.gz UELKBFZPAREHDM-YXMLORGKSA-N 2 0 253.346 -0.438 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000662771660 419714817 /nfs/dbraw/zinc/71/48/17/419714817.db2.gz IJIXTRBLQLEEGP-BJDJZHNGSA-N 2 0 253.346 -0.439 20 0 CBADRP O=C(NC1CC1)[C@@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000647879558 419683223 /nfs/dbraw/zinc/68/32/23/419683223.db2.gz NYEQFQKDIKZMJK-ZDUSSCGKSA-N 2 0 266.389 -0.365 20 0 CBADRP C[C@@H]1C[NH+](CCCCNC(=O)C2(O)C[NH2+]C2)C[C@@H](C)O1 ZINC000662693167 419685031 /nfs/dbraw/zinc/68/50/31/419685031.db2.gz QYHGHFQBDJYDLY-VXGBXAGGSA-N 2 0 285.388 -0.674 20 0 CBADRP Cn1nc2c(cc1=O)C[N@@H+](CCN1CC[NH2+]CC1)CC2 ZINC000647890149 419687234 /nfs/dbraw/zinc/68/72/34/419687234.db2.gz USPQUNADJJRDNE-UHFFFAOYSA-N 2 0 277.372 -0.956 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647941199 419690164 /nfs/dbraw/zinc/69/01/64/419690164.db2.gz DOYXXYDKLATVII-OLZOCXBDSA-N 3 0 268.405 -0.085 20 0 CBADRP C[C@@H]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)[C@H](C[NH3+])C1 ZINC000662699065 419691490 /nfs/dbraw/zinc/69/14/90/419691490.db2.gz WCABJOCWIVMPRY-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[C@@H]1C[N@H+](CCCS(=O)(=O)NC)CC[C@@H]1[NH3+] ZINC000647936309 419692270 /nfs/dbraw/zinc/69/22/70/419692270.db2.gz BEWRMBSUOLEIOA-MNOVXSKESA-N 2 0 263.407 -0.015 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000662703011 419692332 /nfs/dbraw/zinc/69/23/32/419692332.db2.gz GNVLBTXLVYYXNP-NSHDSACASA-N 2 0 280.376 -0.159 20 0 CBADRP C[NH+](C)CCOc1ccccc1CNC(=O)C1(O)C[NH2+]C1 ZINC000662702448 419693011 /nfs/dbraw/zinc/69/30/11/419693011.db2.gz JYQHYCMOSVLUIQ-UHFFFAOYSA-N 2 0 293.367 -0.423 20 0 CBADRP [NH3+]C1(CC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000662716944 419698108 /nfs/dbraw/zinc/69/81/08/419698108.db2.gz LELPYLFDVKQFNJ-RYUDHWBXSA-N 2 0 267.373 -0.075 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000662711851 419698224 /nfs/dbraw/zinc/69/82/24/419698224.db2.gz FEXZBKNTZVKHLN-JLLWLGSASA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCO[C@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000662711852 419698768 /nfs/dbraw/zinc/69/87/68/419698768.db2.gz FEXZBKNTZVKHLN-USWWRNFRSA-N 2 0 255.362 -0.051 20 0 CBADRP O=C(N1CC[C@H]([NH+]2CCCCC2)C1)C1(O)C[NH2+]C1 ZINC000662718659 419699119 /nfs/dbraw/zinc/69/91/19/419699119.db2.gz RGGXYKUDTKTUNJ-NSHDSACASA-N 2 0 253.346 -0.593 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662713833 419699394 /nfs/dbraw/zinc/69/93/94/419699394.db2.gz ZJPYZFQJOVCEKR-GRYCIOLGSA-N 2 0 255.362 -0.097 20 0 CBADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)C1(O)C[NH2+]C1 ZINC000662719704 419701928 /nfs/dbraw/zinc/70/19/28/419701928.db2.gz IQYQAWUEMMSZPO-UHFFFAOYSA-N 2 0 283.372 -0.918 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)NCC12CC(C1)C[NH2+]2 ZINC000662726021 419703647 /nfs/dbraw/zinc/70/36/47/419703647.db2.gz YJZFTJVDFPKFFL-AKJDGMEZSA-N 2 0 253.346 -0.377 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662745105 419707039 /nfs/dbraw/zinc/70/70/39/419707039.db2.gz FNDXHGDNRRZLJM-SNVBAGLBSA-N 2 0 266.349 -0.692 20 0 CBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C1(O)C[NH2+]C1 ZINC000662744166 419707160 /nfs/dbraw/zinc/70/71/60/419707160.db2.gz CBWABGXCVLULQN-LLVKDONJSA-N 2 0 255.362 -0.347 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662758888 419710134 /nfs/dbraw/zinc/71/01/34/419710134.db2.gz PXZDCZSHIZYZAM-VXGBXAGGSA-N 2 0 268.405 -0.264 20 0 CBADRP O=C(N1CCC([C@@H]2CCC[NH2+]2)CC1)C1(O)C[NH2+]C1 ZINC000662761601 419710368 /nfs/dbraw/zinc/71/03/68/419710368.db2.gz OOKWSIZSEDFXCS-NSHDSACASA-N 2 0 253.346 -0.689 20 0 CBADRP O=C(N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C1(O)C[NH2+]C1 ZINC000662762494 419710608 /nfs/dbraw/zinc/71/06/08/419710608.db2.gz WKAYLVDDVUPCPV-MNOVXSKESA-N 2 0 253.346 -0.689 20 0 CBADRP O=C(N1CCN(c2cc[nH+]cc2)CC1)C1(O)C[NH2+]C1 ZINC000662755352 419712295 /nfs/dbraw/zinc/71/22/95/419712295.db2.gz YJRWZXGSEALDAA-UHFFFAOYSA-N 2 0 262.313 -0.936 20 0 CBADRP [NH3+][C@@H]1CCc2ncc(NC(=O)C3(O)C[NH2+]C3)cc2C1 ZINC000662763797 419712449 /nfs/dbraw/zinc/71/24/49/419712449.db2.gz JKMHDMKKWPDGDU-SECBINFHSA-N 2 0 262.313 -0.830 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000662605050 419650235 /nfs/dbraw/zinc/65/02/35/419650235.db2.gz KPPLUHBRFYYSOL-SECBINFHSA-N 2 0 256.350 -0.950 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000647770148 419650650 /nfs/dbraw/zinc/65/06/50/419650650.db2.gz ZNHXGCKZEQIKLQ-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000647770073 419651534 /nfs/dbraw/zinc/65/15/34/419651534.db2.gz VXAGOCSUSNHNOE-HNNXBMFYSA-N 2 0 290.411 -0.080 20 0 CBADRP CCCN(C(=O)COC1(C)C[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000647767961 419652375 /nfs/dbraw/zinc/65/23/75/419652375.db2.gz CUEYFKNSWUAMMF-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000662622848 419652618 /nfs/dbraw/zinc/65/26/18/419652618.db2.gz UUVLCVVVONORKF-WDEREUQCSA-N 2 0 255.362 -0.036 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000647777174 419654424 /nfs/dbraw/zinc/65/44/24/419654424.db2.gz CJWVDIOKPYGKDH-LBPRGKRZSA-N 2 0 286.445 -0.555 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647777269 419654554 /nfs/dbraw/zinc/65/45/54/419654554.db2.gz HVGCLQOCEOKQSK-GFCCVEGCSA-N 2 0 256.394 -0.262 20 0 CBADRP CN1CCN(C(=O)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647793273 419657412 /nfs/dbraw/zinc/65/74/12/419657412.db2.gz RNWVBEVIXZJZLR-BFHYXJOUSA-N 2 0 280.416 -0.262 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000647807006 419657558 /nfs/dbraw/zinc/65/75/58/419657558.db2.gz NFCOXBOZEFNTQU-LBPRGKRZSA-N 2 0 279.388 -0.067 20 0 CBADRP Cn1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1=O ZINC000647824719 419660462 /nfs/dbraw/zinc/66/04/62/419660462.db2.gz XOYNCNRLOKXTJZ-UHFFFAOYSA-N 2 0 278.356 -0.751 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662800935 419729690 /nfs/dbraw/zinc/72/96/90/419729690.db2.gz HEXJHKJBXYDZFB-NWDGAFQWSA-N 2 0 255.362 -0.097 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000648108442 419729905 /nfs/dbraw/zinc/72/99/05/419729905.db2.gz VDSFQKMTLUNKEP-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000662943915 419786060 /nfs/dbraw/zinc/78/60/60/419786060.db2.gz DSGVXVMYNKZUFR-QWHCGFSZSA-N 2 0 296.415 -0.264 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000662796861 419731001 /nfs/dbraw/zinc/73/10/01/419731001.db2.gz CUILZYIYVHYQQN-RYUDHWBXSA-N 2 0 271.361 -0.811 20 0 CBADRP CC1(OCC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[NH2+]C1 ZINC000648109120 419731298 /nfs/dbraw/zinc/73/12/98/419731298.db2.gz ZFHKNKLXNQQLSJ-SRVKXCTJSA-N 2 0 267.373 -0.049 20 0 CBADRP CC1(OCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[NH2+]C1 ZINC000648121871 419738168 /nfs/dbraw/zinc/73/81/68/419738168.db2.gz QTATVLNGTRROPW-PHIMTYICSA-N 2 0 253.346 -0.282 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662817761 419738295 /nfs/dbraw/zinc/73/82/95/419738295.db2.gz YVRMBQJVAKNYQX-LLVKDONJSA-N 2 0 267.373 -0.443 20 0 CBADRP [NH3+]C1(CNC(=O)C2(O)C[NH2+]C2)C2CC3CC(C2)CC1C3 ZINC000662815410 419738405 /nfs/dbraw/zinc/73/84/05/419738405.db2.gz DMXWABRNJKNOHP-UHFFFAOYSA-N 2 0 279.384 -0.410 20 0 CBADRP CC[C@@H]1CN(C(=O)COC2(C)C[NH2+]C2)CC[C@H]1[NH3+] ZINC000648126508 419741418 /nfs/dbraw/zinc/74/14/18/419741418.db2.gz LLZOKKMQPTTWOC-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000648128720 419742900 /nfs/dbraw/zinc/74/29/00/419742900.db2.gz LWQRHYVBWGORRH-NHCYSSNCSA-N 2 0 270.377 -0.657 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)nn1 ZINC000662835726 419743431 /nfs/dbraw/zinc/74/34/31/419743431.db2.gz RVPGGLGRVAQFRF-DGCLKSJQSA-N 2 0 292.387 -0.017 20 0 CBADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000648138228 419751465 /nfs/dbraw/zinc/75/14/65/419751465.db2.gz WZWVDXOIHIEJKL-LPWJVIDDSA-N 2 0 264.373 -0.757 20 0 CBADRP [NH3+][C@H]1CCCCN(CC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1=O ZINC000648140917 419753319 /nfs/dbraw/zinc/75/33/19/419753319.db2.gz QNDRTKFMAXUVEP-DCAQKATOSA-N 2 0 286.351 -0.858 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000648138981 419753345 /nfs/dbraw/zinc/75/33/45/419753345.db2.gz NYIFYQYYCIKLDP-WRWGMCAJSA-N 2 0 253.346 -0.569 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000662857148 419753500 /nfs/dbraw/zinc/75/35/00/419753500.db2.gz GAKRHWMCFBQJFV-ITGUQSILSA-N 2 0 268.405 -0.549 20 0 CBADRP CC1(OCC(=O)N[C@H](CC[NH3+])C(F)F)C[NH2+]C1 ZINC000648146046 419754843 /nfs/dbraw/zinc/75/48/43/419754843.db2.gz SXYWETANMFWBHM-SSDOTTSWSA-N 2 0 251.277 -0.536 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1C[NH2+]CCC1(F)F ZINC000648148201 419759386 /nfs/dbraw/zinc/75/93/86/419759386.db2.gz RKHDLKHRTXPQBJ-UWVGGRQHSA-N 2 0 277.315 -0.274 20 0 CBADRP CC1(OCC(=O)N[C@H]2CC[NH2+]CC2(C)C)C[NH2+]C1 ZINC000648148248 419759647 /nfs/dbraw/zinc/75/96/47/419759647.db2.gz WZLYRFZWBVJBCK-JTQLQIEISA-N 2 0 255.362 -0.131 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000648148180 419759960 /nfs/dbraw/zinc/75/99/60/419759960.db2.gz PBBPHZBMDQSLSE-UKRRQHHQSA-N 2 0 276.384 -0.120 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC3CC2(C[NH3+])C3)CC1=O ZINC000662875350 419760076 /nfs/dbraw/zinc/76/00/76/419760076.db2.gz JHZJHNIMVKZADQ-AVERBVTBSA-N 2 0 294.399 -0.654 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C[NH3+])CC1 ZINC000648152539 419760105 /nfs/dbraw/zinc/76/01/05/419760105.db2.gz CAXVBRJVCLHERG-GFCCVEGCSA-N 2 0 254.378 -0.426 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648152658 419760645 /nfs/dbraw/zinc/76/06/45/419760645.db2.gz SSGHCNOYDXYZBW-GDNZZTSVSA-N 2 0 255.362 -0.512 20 0 CBADRP CC1(OCC(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)C[NH2+]C1 ZINC000648148392 419760749 /nfs/dbraw/zinc/76/07/49/419760749.db2.gz BMWRODFUQMAULL-WDEREUQCSA-N 2 0 253.346 -0.425 20 0 CBADRP CC1(OCC(=O)N[C@@H]2CC[NH2+]CC2(C)C)C[NH2+]C1 ZINC000648148249 419761001 /nfs/dbraw/zinc/76/10/01/419761001.db2.gz WZLYRFZWBVJBCK-SNVBAGLBSA-N 2 0 255.362 -0.131 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000662876453 419761671 /nfs/dbraw/zinc/76/16/71/419761671.db2.gz WLOPSFLBXRPULA-UHFFFAOYSA-N 2 0 289.383 -0.089 20 0 CBADRP O=C(NCC[N@@H+]1CCCOCC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648161056 419762472 /nfs/dbraw/zinc/76/24/72/419762472.db2.gz RPULJEVUULRQDO-GDNZZTSVSA-N 2 0 253.346 -0.710 20 0 CBADRP C[C@@H]1CCCN(C(=O)CNC(=O)C[NH3+])[C@@H]1CCC[NH3+] ZINC000662892262 419762649 /nfs/dbraw/zinc/76/26/49/419762649.db2.gz CHRTZXKOOARZNF-GHMZBOCLSA-N 2 0 270.377 -0.573 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C1(O)C[NH2+]C1 ZINC000662886876 419762722 /nfs/dbraw/zinc/76/27/22/419762722.db2.gz PRFMQTWXONKGBK-LLVKDONJSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C1(O)C[NH2+]C1 ZINC000662886877 419762765 /nfs/dbraw/zinc/76/27/65/419762765.db2.gz PRFMQTWXONKGBK-NSHDSACASA-N 2 0 255.362 -0.443 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000662909258 419765941 /nfs/dbraw/zinc/76/59/41/419765941.db2.gz YZPDZZPNSGDLQO-IHRRRGAJSA-N 2 0 280.416 -0.119 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000662906371 419766709 /nfs/dbraw/zinc/76/67/09/419766709.db2.gz IYBLOSGWAOPJHW-VXGBXAGGSA-N 2 0 254.378 -0.510 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000662906027 419767080 /nfs/dbraw/zinc/76/70/80/419767080.db2.gz HZRBWLRSVMKYBZ-XQHKEYJVSA-N 2 0 264.373 -0.757 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000662907403 419768106 /nfs/dbraw/zinc/76/81/06/419768106.db2.gz UNYXBKAVLXRRRC-ZIAGYGMSSA-N 2 0 296.415 -0.739 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC000648177700 419769737 /nfs/dbraw/zinc/76/97/37/419769737.db2.gz OSGTXTGZENKLMB-IJLUTSLNSA-N 2 0 255.362 -0.097 20 0 CBADRP [NH3+]C1(C(=O)NC[C@@H]2C[NH2+]CCO2)Cc2ccccc2C1 ZINC000648177380 419770793 /nfs/dbraw/zinc/77/07/93/419770793.db2.gz WVDUVOJPWUBZST-ZDUSSCGKSA-N 2 0 275.352 -0.413 20 0 CBADRP CC1(OCC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[NH2+]C1 ZINC000662915788 419771102 /nfs/dbraw/zinc/77/11/02/419771102.db2.gz OUUMVVYYILELGS-ZDUSSCGKSA-N 2 0 297.399 -0.266 20 0 CBADRP [NH3+]C1(C(=O)NC[C@H]2C[NH2+]CCO2)Cc2ccccc2C1 ZINC000648177379 419771407 /nfs/dbraw/zinc/77/14/07/419771407.db2.gz WVDUVOJPWUBZST-CYBMUJFWSA-N 2 0 275.352 -0.413 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CCCO1 ZINC000648177563 419771614 /nfs/dbraw/zinc/77/16/14/419771614.db2.gz HNIIKUBYDJIUAY-UWVGGRQHSA-N 2 0 277.315 -0.193 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648210255 419776794 /nfs/dbraw/zinc/77/67/94/419776794.db2.gz NTPYQSHCQICTMV-AAEUAGOBSA-N 2 0 296.415 -0.123 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000662943985 419787772 /nfs/dbraw/zinc/78/77/72/419787772.db2.gz GQMOMHMDSFLPTA-UHFFFAOYSA-N 2 0 284.404 -0.264 20 0 CBADRP COC[C@]1(CNC(=O)[C@H]2CCO[C@H]2C[NH3+])CCC[NH2+]1 ZINC000662781233 419719535 /nfs/dbraw/zinc/71/95/35/419719535.db2.gz UFAPEHHZIQRHMC-GMXVVIOVSA-N 2 0 271.361 -0.765 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000662778611 419719951 /nfs/dbraw/zinc/71/99/51/419719951.db2.gz GQGBNHXOZOEDLW-CHWSQXEVSA-N 2 0 280.416 -0.119 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662781748 419721150 /nfs/dbraw/zinc/72/11/50/419721150.db2.gz ZMWDSHJTNYYOOJ-CHIQAWFVSA-N 2 0 263.263 -0.138 20 0 CBADRP C[C@]1(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC[NH2+]C1 ZINC000663013030 419809211 /nfs/dbraw/zinc/80/92/11/419809211.db2.gz HUEZBSMVNWEUED-GWCFXTLKSA-N 2 0 278.360 -0.316 20 0 CBADRP C[C@]1(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000663011790 419810257 /nfs/dbraw/zinc/81/02/57/419810257.db2.gz SGCQYTRJXLHCMF-MFKMUULPSA-N 2 0 268.361 -0.887 20 0 CBADRP C[C@]1(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC[NH2+]C1 ZINC000663013032 419810594 /nfs/dbraw/zinc/81/05/94/419810594.db2.gz HUEZBSMVNWEUED-MFKMUULPSA-N 2 0 278.360 -0.316 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000518471633 544601471 /nfs/dbraw/zinc/60/14/71/544601471.db2.gz XBYLKIMXNUIVQO-ZIAGYGMSSA-N 2 0 273.421 -0.191 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](C)C2)CC[N@@H+]1C ZINC000648862094 419816265 /nfs/dbraw/zinc/81/62/65/419816265.db2.gz AQXMTPSDCGYXDM-WZRBSPASSA-N 2 0 255.362 -0.491 20 0 CBADRP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000518497440 544601639 /nfs/dbraw/zinc/60/16/39/544601639.db2.gz XXSSUUXJIAWFLT-QWHCGFSZSA-N 2 0 283.420 -0.327 20 0 CBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCOC2(C[NH2+]C2)C1 ZINC000663217002 419827969 /nfs/dbraw/zinc/82/79/69/419827969.db2.gz YYESJSLSEFVYLQ-NSHDSACASA-N 2 0 280.372 -0.488 20 0 CBADRP O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCOC2(C[NH2+]C2)C1 ZINC000663218052 419830345 /nfs/dbraw/zinc/83/03/45/419830345.db2.gz YBPWCNIEOZLNMH-RYUDHWBXSA-N 2 0 265.357 -0.282 20 0 CBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000649070056 419831681 /nfs/dbraw/zinc/83/16/81/419831681.db2.gz GPUJFHJMYRWWRE-RYUDHWBXSA-N 2 0 282.388 -0.484 20 0 CBADRP CC[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)[NH+](C)C ZINC000649074895 419834519 /nfs/dbraw/zinc/83/45/19/419834519.db2.gz ROBASQRIJACWGX-NEPJUHHUSA-N 2 0 284.404 -0.095 20 0 CBADRP CN(CCC[NH3+])C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000649273048 419859416 /nfs/dbraw/zinc/85/94/16/419859416.db2.gz BDTJATRVVHBCRO-LLVKDONJSA-N 2 0 270.377 -0.796 20 0 CBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663492413 419842109 /nfs/dbraw/zinc/84/21/09/419842109.db2.gz STLJTGAXDPGEJH-GHMZBOCLSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+]C[C@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)CCO1 ZINC000663492696 419842702 /nfs/dbraw/zinc/84/27/02/419842702.db2.gz BJNYCZYTVAHKPV-VIFPVBQESA-N 2 0 268.386 -0.052 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663492414 419843168 /nfs/dbraw/zinc/84/31/68/419843168.db2.gz STLJTGAXDPGEJH-MNOVXSKESA-N 2 0 253.346 -0.425 20 0 CBADRP O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCOC2(C[NH2+]C2)C1 ZINC000663491539 419843182 /nfs/dbraw/zinc/84/31/82/419843182.db2.gz IKBPKCBQDNTLHO-QWHCGFSZSA-N 2 0 279.384 -0.177 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662947457 419789801 /nfs/dbraw/zinc/78/98/01/419789801.db2.gz QVDBAEQUCYOPFL-LLVKDONJSA-N 2 0 279.344 -0.355 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C2([NH3+])CC3(CCC3)C2)n1 ZINC000662947442 419790979 /nfs/dbraw/zinc/79/09/79/419790979.db2.gz PWRWGALTCVZZJG-UHFFFAOYSA-N 2 0 291.355 -0.081 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000662966276 419794754 /nfs/dbraw/zinc/79/47/54/419794754.db2.gz WQGVCEGQTLFUSB-BDAKNGLRSA-N 2 0 251.334 -0.176 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662968863 419799135 /nfs/dbraw/zinc/79/91/35/419799135.db2.gz KTXSCNAUSDEEQW-GHMZBOCLSA-N 2 0 280.376 -0.070 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000649348786 419897702 /nfs/dbraw/zinc/89/77/02/419897702.db2.gz UXUNGFSHQRYPKX-PWSUYJOCSA-N 2 0 267.373 -0.036 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649318838 419877759 /nfs/dbraw/zinc/87/77/59/419877759.db2.gz OBDDLIZJXNPICT-WUHRBBMRSA-N 2 0 267.373 -0.321 20 0 CBADRP CC1(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C[NH2+]C1 ZINC000649320956 419882260 /nfs/dbraw/zinc/88/22/60/419882260.db2.gz GSWQKPHTFAJUQI-NWDGAFQWSA-N 2 0 267.373 -0.347 20 0 CBADRP CC1(OCC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[NH2+]C1 ZINC000649322896 419884696 /nfs/dbraw/zinc/88/46/96/419884696.db2.gz UYMVWDDHPMPNNL-GFCCVEGCSA-N 2 0 267.373 -0.035 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)COC2(C)C[NH2+]C2)C1 ZINC000649323563 419888360 /nfs/dbraw/zinc/88/83/60/419888360.db2.gz CIRNGZLNVCSCIQ-NSHDSACASA-N 2 0 271.361 -0.798 20 0 CBADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357931668 419891114 /nfs/dbraw/zinc/89/11/14/419891114.db2.gz QJHNTSUIBCMMEL-WDEREUQCSA-N 2 0 273.296 -0.071 20 0 CBADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357931667 419891290 /nfs/dbraw/zinc/89/12/90/419891290.db2.gz QJHNTSUIBCMMEL-QWRGUYRKSA-N 2 0 273.296 -0.071 20 0 CBADRP C[NH+](C)C1(CNC(=O)COC2(C)C[NH2+]C2)CCOCC1 ZINC000649332281 419892431 /nfs/dbraw/zinc/89/24/31/419892431.db2.gz NANCOAFHRIEPHJ-UHFFFAOYSA-N 2 0 285.388 -0.408 20 0 CBADRP C[NH+](C)C1CN(c2cnc(N3CC([NH+](C)C)C3)cn2)C1 ZINC000663756220 419860625 /nfs/dbraw/zinc/86/06/25/419860625.db2.gz PNQHZYDKOCERNB-UHFFFAOYSA-N 2 0 276.388 -0.023 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)COC2(C)C[NH2+]C2)C[C@@H](C)O1 ZINC000649284653 419861830 /nfs/dbraw/zinc/86/18/30/419861830.db2.gz NSEOWNVUPPEPBL-CHWSQXEVSA-N 2 0 299.415 -0.020 20 0 CBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000649345226 419898357 /nfs/dbraw/zinc/89/83/57/419898357.db2.gz QNPBZBYOLLGTNK-MQYQWHSLSA-N 2 0 279.384 -0.368 20 0 CBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000649345225 419898549 /nfs/dbraw/zinc/89/85/49/419898549.db2.gz QNPBZBYOLLGTNK-IGQOVBAYSA-N 2 0 279.384 -0.368 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000358517044 419898961 /nfs/dbraw/zinc/89/89/61/419898961.db2.gz CCIUYQSIMXPMCT-NSHDSACASA-N 2 0 260.382 -0.450 20 0 CBADRP C[C@@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1nccn1C ZINC000667246159 544657754 /nfs/dbraw/zinc/65/77/54/544657754.db2.gz APSZXKPZNBCINQ-GRYCIOLGSA-N 2 0 293.371 -0.059 20 0 CBADRP Cc1ncc(CN2CC[C@@H](NS(C)(=O)=O)C2)n1C ZINC000667654790 544668625 /nfs/dbraw/zinc/66/86/25/544668625.db2.gz KQDIWLVPXCROMH-SNVBAGLBSA-N 2 0 272.374 -0.148 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N1 ZINC000667811781 544673434 /nfs/dbraw/zinc/67/34/34/544673434.db2.gz WDVWJBIAPDZRIM-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H](C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[NH+](C)C ZINC000649359923 419903835 /nfs/dbraw/zinc/90/38/35/419903835.db2.gz MFLVAYNGTKHNNY-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC(C)([NH3+])CC2)CC1=O ZINC000649357909 419905047 /nfs/dbraw/zinc/90/50/47/419905047.db2.gz XJONCWVXLXESOC-LBPRGKRZSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[NH+](C)C ZINC000649362485 419905348 /nfs/dbraw/zinc/90/53/48/419905348.db2.gz MXSXOIDCDIYGCT-RYUDHWBXSA-N 2 0 254.378 -0.557 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000649410845 419909598 /nfs/dbraw/zinc/90/95/98/419909598.db2.gz YIJXFNLNDHOOJR-GXTWGEPZSA-N 2 0 298.431 -0.365 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN(C)CCC[NH3+])CC1 ZINC000649409971 419910829 /nfs/dbraw/zinc/91/08/29/419910829.db2.gz DRHCAIAYFABXHN-UHFFFAOYSA-N 2 0 256.394 -0.133 20 0 CBADRP [NH3+]CCOCCN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000649412460 419910856 /nfs/dbraw/zinc/91/08/56/419910856.db2.gz NINSSIGCKURCEL-OLZOCXBDSA-N 2 0 257.378 -0.507 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)CC[N@@H+]1C ZINC000358728607 419914347 /nfs/dbraw/zinc/91/43/47/419914347.db2.gz YIQSJFKHGHIETM-BZPMIXESSA-N 2 0 284.404 -0.165 20 0 CBADRP O=C(N1CCOC2(C[NH2+]C2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000664725435 419914743 /nfs/dbraw/zinc/91/47/43/419914743.db2.gz AQZYXWZMEUMUDM-NSHDSACASA-N 2 0 293.289 -0.271 20 0 CBADRP CCC(CC)(C[NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000664727378 419915025 /nfs/dbraw/zinc/91/50/25/419915025.db2.gz GRZORBFKFZJCFL-UHFFFAOYSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)CC[N@@H+]1C ZINC000358728608 419915114 /nfs/dbraw/zinc/91/51/14/419915114.db2.gz YIQSJFKHGHIETM-DYEKYZERSA-N 2 0 284.404 -0.165 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@H]1CC(=O)N1 ZINC000668666879 544714631 /nfs/dbraw/zinc/71/46/31/544714631.db2.gz OOGBTUHSPMKCDH-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)CC[N@@H+]1C ZINC000358728614 419915581 /nfs/dbraw/zinc/91/55/81/419915581.db2.gz YIQSJFKHGHIETM-YRGRVCCFSA-N 2 0 284.404 -0.165 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H](C)[NH3+])C1 ZINC000668727726 544719762 /nfs/dbraw/zinc/71/97/62/544719762.db2.gz PYTWJQBEIQBIGA-NEPJUHHUSA-N 2 0 272.393 -0.010 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000669402975 544747751 /nfs/dbraw/zinc/74/77/51/544747751.db2.gz CNKDWAGIZNOXLQ-KGLIPLIRSA-N 2 0 295.431 -0.230 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000669402974 544748376 /nfs/dbraw/zinc/74/83/76/544748376.db2.gz CNKDWAGIZNOXLQ-KBPBESRZSA-N 2 0 295.431 -0.230 20 0 CBADRP CN1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)[C@@H](C[NH3+])C1 ZINC000669403090 544749489 /nfs/dbraw/zinc/74/94/89/544749489.db2.gz ISZQIRQDZQPWEF-RYUDHWBXSA-N 2 0 269.393 -0.635 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCO1 ZINC000669491118 544751479 /nfs/dbraw/zinc/75/14/79/544751479.db2.gz MJBCDUVREGBCEK-QWHCGFSZSA-N 2 0 282.388 -0.160 20 0 CBADRP CC(C)[C@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000669514813 544752417 /nfs/dbraw/zinc/75/24/17/544752417.db2.gz LHWBKZYMQOJTLY-VXGBXAGGSA-N 2 0 282.388 -0.689 20 0 CBADRP C[NH+](C)CCOCCNC(=O)NCC[NH2+]C1CC1 ZINC000669567924 544754462 /nfs/dbraw/zinc/75/44/62/544754462.db2.gz CESZXPVWUWDIBQ-UHFFFAOYSA-N 2 0 258.366 -0.384 20 0 CBADRP C[NH+](C)CCN1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1=O ZINC000649684736 419923362 /nfs/dbraw/zinc/92/33/62/419923362.db2.gz ADHINJTTWSXEGZ-AWEZNQCLSA-N 2 0 298.431 -0.853 20 0 CBADRP CC[N@H+](CCNC(=O)NC[C@@]1(O)CC[NH+](C)C1)C1CC1 ZINC000358727729 419916568 /nfs/dbraw/zinc/91/65/68/419916568.db2.gz WNZBCLJOFVNXRQ-AWEZNQCLSA-N 2 0 284.404 -0.164 20 0 CBADRP Cc1nccn1CCCC[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665047754 419926312 /nfs/dbraw/zinc/92/63/12/419926312.db2.gz OSDUNDHDYJOSID-NEPJUHHUSA-N 2 0 266.345 -0.108 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292097 419938949 /nfs/dbraw/zinc/93/89/49/419938949.db2.gz SGSIAIJWVHLORH-WPRPVWTQSA-N 2 0 251.334 -0.319 20 0 CBADRP C[C@H](C(=O)NC[C@@H]1CCCO1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359295847 419955581 /nfs/dbraw/zinc/95/55/81/419955581.db2.gz XQRUYHCLSQYLSJ-NDBYEHHHSA-N 2 0 267.373 -0.179 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359384129 419962193 /nfs/dbraw/zinc/96/21/93/419962193.db2.gz UVKXPWGGOIJKON-BETUJISGSA-N 2 0 266.389 -0.698 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672308628 544851620 /nfs/dbraw/zinc/85/16/20/544851620.db2.gz VPQKTOKFEBLUJB-ZDUSSCGKSA-N 2 0 296.415 -0.393 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1C[C@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000364159299 420030618 /nfs/dbraw/zinc/03/06/18/420030618.db2.gz GMIOFHVSCQXDHR-NEPJUHHUSA-N 2 0 294.330 -0.846 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000364213901 420031997 /nfs/dbraw/zinc/03/19/97/420031997.db2.gz JNGOSWBUICJCFQ-FDYHWXHSSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000364213906 420032642 /nfs/dbraw/zinc/03/26/42/420032642.db2.gz JNGOSWBUICJCFQ-WUHRBBMRSA-N 2 0 269.389 -0.054 20 0 CBADRP COCC[C@@]1(C(=O)N2CCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000364559899 420041185 /nfs/dbraw/zinc/04/11/85/420041185.db2.gz BHIOQVKPSKQDAT-YPMHNXCESA-N 2 0 255.362 -0.048 20 0 CBADRP COCC[C@]1(C(=O)N2CC[NH2+][C@H](C)C2)CC[NH2+]C1 ZINC000364872025 420048381 /nfs/dbraw/zinc/04/83/81/420048381.db2.gz LMGLKBGULRZTBQ-DGCLKSJQSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+](C)CCOCCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652181755 420050152 /nfs/dbraw/zinc/05/01/52/420050152.db2.gz NAPSFBCDZUJOFR-UHFFFAOYSA-N 2 0 272.393 -0.007 20 0 CBADRP CCO[C@@H]1CN(C(=O)NCC(C)(C)[NH3+])C[C@H]1C[NH3+] ZINC000652208903 420050705 /nfs/dbraw/zinc/05/07/05/420050705.db2.gz TWLXJQAZCWTGTJ-NXEZZACHSA-N 2 0 258.366 -0.271 20 0 CBADRP CCO[C@@H]1CN(C(=O)N[C@H](C[NH3+])C2CC2)C[C@H]1C[NH3+] ZINC000652207832 420050960 /nfs/dbraw/zinc/05/09/60/420050960.db2.gz UXBGEGKBDNKKBA-IJLUTSLNSA-N 2 0 270.377 -0.271 20 0 CBADRP O=C(NCCC1CC[NH2+]CC1)NCCN1CC[NH2+]CC1 ZINC000652202023 420051252 /nfs/dbraw/zinc/05/12/52/420051252.db2.gz YHWSROIMGIETMO-UHFFFAOYSA-N 2 0 283.420 -0.420 20 0 CBADRP CCO[C@@H]1CN(C(=O)NC[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000652202922 420051491 /nfs/dbraw/zinc/05/14/91/420051491.db2.gz YIBQOTLQHYAYSK-YNEHKIRRSA-N 2 0 284.404 -0.009 20 0 CBADRP O=C(NCCC1CC[NH2+]CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000652220796 420052419 /nfs/dbraw/zinc/05/24/19/420052419.db2.gz JLOHGDWCPVNLDE-GDNZZTSVSA-N 2 0 252.362 -0.107 20 0 CBADRP CCO[C@@H]1CN(C(=O)NC[C@H]([NH3+])CC)C[C@H]1C[NH3+] ZINC000652222427 420052712 /nfs/dbraw/zinc/05/27/12/420052712.db2.gz OJJFYNFIFKXMQM-GMTAPVOTSA-N 2 0 258.366 -0.271 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652236931 420054037 /nfs/dbraw/zinc/05/40/37/420054037.db2.gz DBWKULMYBLKDDI-UHFFFAOYSA-N 2 0 272.393 -0.271 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000365105206 420055095 /nfs/dbraw/zinc/05/50/95/420055095.db2.gz NKEJSYXJZBKSRJ-GWNIPJSYSA-N 2 0 267.373 -0.038 20 0 CBADRP O=C(NCCC1CC[NH2+]CC1)N1CCOC2(C[NH2+]C2)C1 ZINC000652324004 420057150 /nfs/dbraw/zinc/05/71/50/420057150.db2.gz UFWQGCOESTXIIC-UHFFFAOYSA-N 2 0 282.388 -0.240 20 0 CBADRP [NH3+]C[C@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C1CCCCC1 ZINC000365160674 420057129 /nfs/dbraw/zinc/05/71/29/420057129.db2.gz ZCNNIUOFDBKSBG-UTUOFQBUSA-N 2 0 255.362 -0.267 20 0 CBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000365315906 420059099 /nfs/dbraw/zinc/05/90/99/420059099.db2.gz FJOTUMCUSPEADX-MELADBBJSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000365327307 420061497 /nfs/dbraw/zinc/06/14/97/420061497.db2.gz QBFASUNBUKHKGP-SDDRHHMPSA-N 2 0 255.362 -0.348 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000365333910 420061945 /nfs/dbraw/zinc/06/19/45/420061945.db2.gz YWEDQWQBSFOTBP-NOOOWODRSA-N 2 0 255.362 -0.302 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)N2CC[NH2+]CC2)cn1 ZINC000652612450 420070278 /nfs/dbraw/zinc/07/02/78/420070278.db2.gz SAORIVDNJJTEOT-UHFFFAOYSA-N 2 0 266.349 -0.118 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000367469695 420107583 /nfs/dbraw/zinc/10/75/83/420107583.db2.gz KCMDTYNARAETQL-GHYVTOPFSA-N 2 0 291.399 -0.163 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000367475779 420109241 /nfs/dbraw/zinc/10/92/41/420109241.db2.gz FNFVAUIOJIHJSN-SBFPOUOMSA-N 2 0 253.346 -0.927 20 0 CBADRP O=C(CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)N1CC[NH2+]CC1 ZINC000653045673 420109690 /nfs/dbraw/zinc/10/96/90/420109690.db2.gz CSJZKSNCKQSETQ-VXGBXAGGSA-N 2 0 280.372 -0.935 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000653044982 420110315 /nfs/dbraw/zinc/11/03/15/420110315.db2.gz MUHLKNNIGKYDOF-QJPTWQEYSA-N 2 0 256.394 -0.006 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653045852 420110424 /nfs/dbraw/zinc/11/04/24/420110424.db2.gz QKVOHZOUIXNOJQ-LBPRGKRZSA-N 2 0 282.388 -0.734 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653049422 420110588 /nfs/dbraw/zinc/11/05/88/420110588.db2.gz JTDAFXATQQOUBV-UONOGXRCSA-N 2 0 280.416 -0.119 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000653047097 420110645 /nfs/dbraw/zinc/11/06/45/420110645.db2.gz FFSVTIILTGPEQA-RWMBFGLXSA-N 2 0 296.415 -0.183 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653049593 420110748 /nfs/dbraw/zinc/11/07/48/420110748.db2.gz UJBLUZBQMVDCRG-QWHCGFSZSA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000653052458 420111932 /nfs/dbraw/zinc/11/19/32/420111932.db2.gz GEKUQMOOEWKWIO-SDDRHHMPSA-N 2 0 256.394 -0.101 20 0 CBADRP C[C@@H]1CCCN(C(=O)[C@H](N)CC[NH+](C)C)[C@@H]1C[NH3+] ZINC000653052046 420112228 /nfs/dbraw/zinc/11/22/28/420112228.db2.gz SIBVMUMAZSKSLA-IJLUTSLNSA-N 2 0 256.394 -0.149 20 0 CBADRP CCCN(CC(=O)NC)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653075870 420112518 /nfs/dbraw/zinc/11/25/18/420112518.db2.gz APZLLPAKKKCNCJ-JTQLQIEISA-N 2 0 258.366 -0.750 20 0 CBADRP CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653080544 420112760 /nfs/dbraw/zinc/11/27/60/420112760.db2.gz KZHAKWQCRUPBAF-AXFHLTTASA-N 2 0 272.393 -0.315 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NC1(C(N)=O)CCCCC1 ZINC000653073973 420113538 /nfs/dbraw/zinc/11/35/38/420113538.db2.gz UFUJFQVMAUTEHC-JTQLQIEISA-N 2 0 270.377 -0.430 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000653071936 420113738 /nfs/dbraw/zinc/11/37/38/420113738.db2.gz XTKQMIXYZWEMGA-VXGBXAGGSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)Cn1cccn1 ZINC000653073249 420113944 /nfs/dbraw/zinc/11/39/44/420113944.db2.gz WYHUKKOLKGMWMC-RYUDHWBXSA-N 2 0 267.377 -0.086 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653112344 420116999 /nfs/dbraw/zinc/11/69/99/420116999.db2.gz VWDBVSWILWJWDD-GVXVVHGQSA-N 2 0 253.346 -0.567 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCSC1 ZINC000653110653 420117448 /nfs/dbraw/zinc/11/74/48/420117448.db2.gz PQAVFXSIESFUBY-UBHSHLNASA-N 2 0 299.440 -0.224 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653111385 420117773 /nfs/dbraw/zinc/11/77/73/420117773.db2.gz NQSWFYUJVZRXGH-XPCVCDNBSA-N 2 0 279.384 -0.035 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653117673 420118210 /nfs/dbraw/zinc/11/82/10/420118210.db2.gz SMXKZEBLJVXSQX-OBJOEFQTSA-N 2 0 283.372 -0.941 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H](N)CC[NH+](C)C)C1CC1 ZINC000653115053 420118847 /nfs/dbraw/zinc/11/88/47/420118847.db2.gz AWXXCSCTNUPBMG-GFCCVEGCSA-N 2 0 256.394 -0.134 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000653115584 420119516 /nfs/dbraw/zinc/11/95/16/420119516.db2.gz TYNQJVHMPLHUTF-NWDGAFQWSA-N 2 0 256.394 -0.182 20 0 CBADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653114127 420120968 /nfs/dbraw/zinc/12/09/68/420120968.db2.gz ZCODSBHEOOEZBL-OBJOEFQTSA-N 2 0 267.373 -0.320 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[NH2+]1 ZINC000653136376 420121614 /nfs/dbraw/zinc/12/16/14/420121614.db2.gz NVWYWFZKYUOUNT-XZUYRWCXSA-N 2 0 253.346 -0.521 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H](N)CC[NH+](C)C ZINC000653139642 420121761 /nfs/dbraw/zinc/12/17/61/420121761.db2.gz PIJQSPAUHTZLBM-KKOKHZNYSA-N 2 0 256.394 -0.232 20 0 CBADRP CC(C)[C@H]1CN(C(=O)[C@@H](N)CC[NH+](C)C)CC[NH2+]1 ZINC000653132829 420121887 /nfs/dbraw/zinc/12/18/87/420121887.db2.gz DDCJFYQJAQSGLV-NWDGAFQWSA-N 2 0 256.394 -0.278 20 0 CBADRP O=C(N1CCC[C@]2(CC[NH2+]C2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653140938 420121923 /nfs/dbraw/zinc/12/19/23/420121923.db2.gz QTULKJAIFQWRJU-CFVMTHIKSA-N 2 0 279.384 -0.176 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653133722 420122109 /nfs/dbraw/zinc/12/21/09/420122109.db2.gz XJGKGMLILOIJDD-WGBDABJCSA-N 2 0 253.346 -0.392 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653147078 420122647 /nfs/dbraw/zinc/12/26/47/420122647.db2.gz MYAYBHQUXQKZGQ-KQXIARHKSA-N 2 0 253.346 -0.534 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000653146970 420123244 /nfs/dbraw/zinc/12/32/44/420123244.db2.gz INQFPPNLXPUQES-SDDRHHMPSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000653146969 420123318 /nfs/dbraw/zinc/12/33/18/420123318.db2.gz INQFPPNLXPUQES-QJPTWQEYSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)C(F)(F)F ZINC000653147479 420123357 /nfs/dbraw/zinc/12/33/57/420123357.db2.gz IBUSZFCRTPTABX-XKSSXDPKSA-N 2 0 281.278 -0.382 20 0 CBADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000368115070 420123624 /nfs/dbraw/zinc/12/36/24/420123624.db2.gz MEHFDTUGYHPSKT-KXNHARMFSA-N 2 0 255.362 -0.683 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H](N)CC[NH+](C)C ZINC000653155730 420124207 /nfs/dbraw/zinc/12/42/07/420124207.db2.gz DLHCRWUNNYPHNF-GFCCVEGCSA-N 2 0 256.394 -0.182 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653163228 420124606 /nfs/dbraw/zinc/12/46/06/420124606.db2.gz MUDRJLPTVMQGFJ-SDDRHHMPSA-N 2 0 253.346 -0.378 20 0 CBADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)C2 ZINC000653194540 420127688 /nfs/dbraw/zinc/12/76/88/420127688.db2.gz MGKBEXSOTZFOIF-ZOWXZIJZSA-N 2 0 294.399 -0.558 20 0 CBADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)CCOC1C[NH2+]C1)C2 ZINC000653194358 420128404 /nfs/dbraw/zinc/12/84/04/420128404.db2.gz DYHFJDHAWVLJEK-FZMZJTMJSA-N 2 0 267.373 -0.048 20 0 CBADRP CCO[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000653243741 420129863 /nfs/dbraw/zinc/12/98/63/420129863.db2.gz MDTWYPQXIGPVHG-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H]1CC[NH3+] ZINC000653240404 420129954 /nfs/dbraw/zinc/12/99/54/420129954.db2.gz NLUBDUXGKZDSOI-AGIUHOORSA-N 2 0 296.415 -0.170 20 0 CBADRP CCO[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000653243518 420130367 /nfs/dbraw/zinc/13/03/67/420130367.db2.gz FYCNRUNITUBZDK-FRRDWIJNSA-N 2 0 285.388 -0.423 20 0 CBADRP CC1(OCC(=O)N2CCC(CC[NH3+])CC2)C[NH2+]C1 ZINC000653256578 420132154 /nfs/dbraw/zinc/13/21/54/420132154.db2.gz CDKKBDZWARHEPB-UHFFFAOYSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000653283259 420136370 /nfs/dbraw/zinc/13/63/70/420136370.db2.gz WQWYOMIOAFUJOJ-ZJUUUORDSA-N 2 0 257.334 -0.964 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000368603716 420137363 /nfs/dbraw/zinc/13/73/63/420137363.db2.gz NQWLYFQAJDGERA-AXFHLTTASA-N 2 0 259.325 -0.477 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000368597346 420138018 /nfs/dbraw/zinc/13/80/18/420138018.db2.gz IVAWCYRDZTUDER-QJPTWQEYSA-N 2 0 255.362 -0.001 20 0 CBADRP CN1CCC[C@@H]([NH2+][C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000653283968 420138036 /nfs/dbraw/zinc/13/80/36/420138036.db2.gz UTEUBTBAZRQVHT-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652666871 420071133 /nfs/dbraw/zinc/07/11/33/420071133.db2.gz WGHNTNCYMYDOAO-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000652694403 420071690 /nfs/dbraw/zinc/07/16/90/420071690.db2.gz WLJQOBGCXODERO-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000652695086 420071923 /nfs/dbraw/zinc/07/19/23/420071923.db2.gz MWXDSGRFWBCEMU-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000652694799 420072047 /nfs/dbraw/zinc/07/20/47/420072047.db2.gz HMYYLNBCIFYCRA-ZDUSSCGKSA-N 2 0 298.431 -0.066 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000652694404 420072342 /nfs/dbraw/zinc/07/23/42/420072342.db2.gz WLJQOBGCXODERO-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000652695518 420072464 /nfs/dbraw/zinc/07/24/64/420072464.db2.gz VYCMZGVBYJSCDM-CYBMUJFWSA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000652695653 420072530 /nfs/dbraw/zinc/07/25/30/420072530.db2.gz YFJMBSMFQWHLDA-LBPRGKRZSA-N 2 0 284.404 -0.441 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000652698802 420074031 /nfs/dbraw/zinc/07/40/31/420074031.db2.gz KQBJEQMUDSPHQQ-GFCCVEGCSA-N 2 0 286.420 -0.066 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000652697114 420074133 /nfs/dbraw/zinc/07/41/33/420074133.db2.gz XFVSVOAOYNSMJQ-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000652705257 420074939 /nfs/dbraw/zinc/07/49/39/420074939.db2.gz CMGGZJNMMJCWBQ-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000652700389 420076080 /nfs/dbraw/zinc/07/60/80/420076080.db2.gz QKGQPDLMOMZBHT-ZDUSSCGKSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652700462 420076212 /nfs/dbraw/zinc/07/62/12/420076212.db2.gz SDFZXYNQAWALNT-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652723567 420077127 /nfs/dbraw/zinc/07/71/27/420077127.db2.gz DVWRSHOKYUILHY-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652714212 420077525 /nfs/dbraw/zinc/07/75/25/420077525.db2.gz GQDBLHOHDRTPGL-UHFFFAOYSA-N 2 0 296.415 -0.216 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652711666 420077809 /nfs/dbraw/zinc/07/78/09/420077809.db2.gz XQFWRPNROHVUJA-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000366347197 420082269 /nfs/dbraw/zinc/08/22/69/420082269.db2.gz NPTJKNQEXFDGID-SRVKXCTJSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]([NH3+])C(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000366347195 420082765 /nfs/dbraw/zinc/08/27/65/420082765.db2.gz NPTJKNQEXFDGID-QJPTWQEYSA-N 2 0 255.362 -0.049 20 0 CBADRP CN1CCN(C(=O)CN2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000366483447 420086883 /nfs/dbraw/zinc/08/68/83/420086883.db2.gz POHREBYLERKUDR-HNNXBMFYSA-N 3 0 280.416 -0.212 20 0 CBADRP COC[C@H]([NH3+])C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000375952131 420193709 /nfs/dbraw/zinc/19/37/09/420193709.db2.gz AMCLJVJZZWFHNV-QWHCGFSZSA-N 2 0 263.341 -0.037 20 0 CBADRP CC[N@H+](C)C[C@H](O)Cn1cc(C[NH2+]C2CC2)nn1 ZINC000381034828 420198639 /nfs/dbraw/zinc/19/86/39/420198639.db2.gz UGNVGSQSQUNOSV-LBPRGKRZSA-N 2 0 253.350 -0.157 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)Cn1cc(C[NH2+]C2CC2)nn1 ZINC000380574165 420199362 /nfs/dbraw/zinc/19/93/62/420199362.db2.gz UTVGTTQDYNRDGD-CYBMUJFWSA-N 2 0 283.376 -0.531 20 0 CBADRP C[C@H](CC[NH+](C)C)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000386629793 420202591 /nfs/dbraw/zinc/20/25/91/420202591.db2.gz PFYILYPVRCDVHJ-MNOVXSKESA-N 2 0 279.406 -0.766 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CCO)C(C)(C)C1 ZINC000653633289 420155492 /nfs/dbraw/zinc/15/54/92/420155492.db2.gz XZOYPWNORCPKBP-ZDUSSCGKSA-N 2 0 273.421 -0.313 20 0 CBADRP C[NH+]1CCC(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654350520 420174214 /nfs/dbraw/zinc/17/42/14/420174214.db2.gz KGGAYPFLEMZGAG-QWHCGFSZSA-N 2 0 282.388 -0.459 20 0 CBADRP O=C(N[C@@H]1CC[NH+](C2CC2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654444883 420178685 /nfs/dbraw/zinc/17/86/85/420178685.db2.gz FGPWORXHTAQAJX-KWCYVHTRSA-N 2 0 294.399 -0.317 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000654460823 420180368 /nfs/dbraw/zinc/18/03/68/420180368.db2.gz AZHQMRXVKMASBD-YIYPIFLZSA-N 2 0 296.415 -0.071 20 0 CBADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)CN1CC[NH2+]CC1 ZINC000405006926 420225683 /nfs/dbraw/zinc/22/56/83/420225683.db2.gz BXGKUYUKMTUDLN-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP COCC[N@H+](C)C[C@H](O)Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000405075889 420227226 /nfs/dbraw/zinc/22/72/26/420227226.db2.gz JPABICXJVCOPKO-STQMWFEESA-N 2 0 297.403 -0.316 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000407259961 420228001 /nfs/dbraw/zinc/22/80/01/420228001.db2.gz IQYVAQVVCRBYLM-KBPBESRZSA-N 2 0 280.416 -0.119 20 0 CBADRP CCO[C@@H]1CN([C@H](C)C(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000405832360 420228985 /nfs/dbraw/zinc/22/89/85/420228985.db2.gz BJDIJRAZBWEZHB-CKYFFXLPSA-N 2 0 255.362 -0.051 20 0 CBADRP O=C([C@H]1CCC[NH+]1C1CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655294613 420237256 /nfs/dbraw/zinc/23/72/56/420237256.db2.gz CUGDCAMYFCKPQG-BFHYXJOUSA-N 2 0 279.384 -0.109 20 0 CBADRP CCC[C@H](C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)C ZINC000655297428 420241120 /nfs/dbraw/zinc/24/11/20/420241120.db2.gz ZAIIJCWIZOYRIK-YNEHKIRRSA-N 2 0 269.389 -0.006 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000417720022 420241633 /nfs/dbraw/zinc/24/16/33/420241633.db2.gz XDOARFBPBQHUOF-NWDGAFQWSA-N 2 0 270.377 -0.160 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419130644 420242839 /nfs/dbraw/zinc/24/28/39/420242839.db2.gz BIYFBZQATWFEOX-GRYCIOLGSA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000419156081 420243069 /nfs/dbraw/zinc/24/30/69/420243069.db2.gz UPTRQVXXZYJFOP-VXGBXAGGSA-N 2 0 296.415 -0.171 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000418950089 420243104 /nfs/dbraw/zinc/24/31/04/420243104.db2.gz SGYMTWHHDHETGO-QWRGUYRKSA-N 2 0 272.393 -0.362 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418936845 420243138 /nfs/dbraw/zinc/24/31/38/420243138.db2.gz KLGUYPVXWSPIMX-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000418956835 420243249 /nfs/dbraw/zinc/24/32/49/420243249.db2.gz ZLDUJOLJNAWXSP-NWDGAFQWSA-N 2 0 286.420 -0.068 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000418948751 420243804 /nfs/dbraw/zinc/24/38/04/420243804.db2.gz QQOOMSKRIPYTJY-QWRGUYRKSA-N 2 0 272.393 -0.314 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000418919858 420243837 /nfs/dbraw/zinc/24/38/37/420243837.db2.gz BBLLPMSWBJFFPA-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418952174 420243874 /nfs/dbraw/zinc/24/38/74/420243874.db2.gz VGZPDLHLXYDHPT-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[N@H+](C)C1CC1 ZINC000419576846 420245386 /nfs/dbraw/zinc/24/53/86/420245386.db2.gz CNASCCTZLXHGIE-GRYCIOLGSA-N 2 0 296.415 -0.206 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N(C)CC[NH2+]C)C1CC1 ZINC000419523613 420246316 /nfs/dbraw/zinc/24/63/16/420246316.db2.gz OTOFFMUFSWTOHG-UHFFFAOYSA-N 2 0 270.377 -0.735 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000419560496 420246580 /nfs/dbraw/zinc/24/65/80/420246580.db2.gz RAPAMRCJJAYMMO-XQHKEYJVSA-N 2 0 296.415 -0.301 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655413421 420246675 /nfs/dbraw/zinc/24/66/75/420246675.db2.gz ZAJFHRGWUVWECH-SWLSCSKDSA-N 2 0 294.399 -0.734 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@H](C[NH3+])C1 ZINC000655418512 420248720 /nfs/dbraw/zinc/24/87/20/420248720.db2.gz ACYKPRYTHYRHGW-MBNYWOFBSA-N 2 0 266.389 -0.523 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[N@H+](CC)CC1 ZINC000420174818 420249303 /nfs/dbraw/zinc/24/93/03/420249303.db2.gz UCNGPYFNMACRGG-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655449467 420249670 /nfs/dbraw/zinc/24/96/70/420249670.db2.gz HIFAUOKMUYAEEA-UKRRQHHQSA-N 2 0 280.416 -0.260 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655451053 420250546 /nfs/dbraw/zinc/25/05/46/420250546.db2.gz AEBAZCBOOZDQJL-DGCLKSJQSA-N 2 0 255.362 -0.272 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000655489652 420254885 /nfs/dbraw/zinc/25/48/85/420254885.db2.gz XYPFGKDHDRUKEC-GRYCIOLGSA-N 2 0 282.388 -0.689 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000423199140 420255446 /nfs/dbraw/zinc/25/54/46/420255446.db2.gz JFLWSMJZCDAXRR-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000422972989 420256263 /nfs/dbraw/zinc/25/62/63/420256263.db2.gz NJSQPEVSPQMDLB-UPJWGTAASA-N 2 0 296.415 -0.075 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000422972988 420256322 /nfs/dbraw/zinc/25/63/22/420256322.db2.gz NJSQPEVSPQMDLB-AVGNSLFASA-N 2 0 296.415 -0.075 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000423598568 420257743 /nfs/dbraw/zinc/25/77/43/420257743.db2.gz VYJWHNNOSHLDDI-OLZOCXBDSA-N 2 0 296.415 -0.123 20 0 CBADRP [NH3+]C[C@@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000655514866 420261581 /nfs/dbraw/zinc/26/15/81/420261581.db2.gz FMIJKMNCFWNUQV-HTQZYQBOSA-N 2 0 296.293 -0.750 20 0 CBADRP [NH3+]C[C@H](NC(=O)COC1CC[NH2+]CC1)C(F)(F)F ZINC000655517436 420262634 /nfs/dbraw/zinc/26/26/34/420262634.db2.gz BZMYTYYEBUXDGE-QMMMGPOBSA-N 2 0 269.267 -0.239 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655755287 420270752 /nfs/dbraw/zinc/27/07/52/420270752.db2.gz WEHLWXDHGNMHAI-LSDHHAIUSA-N 2 0 283.416 -0.104 20 0 CBADRP CCC[N@H+](CCC(=O)N1CCN(C)CC1)CC(=O)NC ZINC000429676047 420271312 /nfs/dbraw/zinc/27/13/12/420271312.db2.gz IPODCJHEULRHIT-UHFFFAOYSA-N 2 0 284.404 -0.392 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C2([NH3+])CCCC2)C1 ZINC000430895092 420272867 /nfs/dbraw/zinc/27/28/67/420272867.db2.gz RZNLDJIHJPAKLN-LBPRGKRZSA-N 2 0 296.415 -0.039 20 0 CBADRP C[NH+](C)C1CN(C(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655923391 420278677 /nfs/dbraw/zinc/27/86/77/420278677.db2.gz WRSNIOVBMRKZIO-SSDOTTSWSA-N 2 0 254.256 -0.169 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655924812 420278837 /nfs/dbraw/zinc/27/88/37/420278837.db2.gz QXAQSKOVPSKSAN-MRVPVSSYSA-N 2 0 286.298 -0.511 20 0 CBADRP C[C@@H](CNC(=O)NCC[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000655961704 420282128 /nfs/dbraw/zinc/28/21/28/420282128.db2.gz YTBICSLXEWLJEI-GARJFASQSA-N 2 0 258.366 -0.258 20 0 CBADRP C[C@H](CNC(=O)NCC[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000655961705 420282791 /nfs/dbraw/zinc/28/27/91/420282791.db2.gz YTBICSLXEWLJEI-MXWKQRLJSA-N 2 0 258.366 -0.258 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655965508 420284341 /nfs/dbraw/zinc/28/43/41/420284341.db2.gz FJYJPHAEHHDART-WUHRBBMRSA-N 2 0 282.388 -0.555 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655966410 420284679 /nfs/dbraw/zinc/28/46/79/420284679.db2.gz WGVWXWMBIFKKEC-MROQNXINSA-N 2 0 282.388 -0.283 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655968912 420285097 /nfs/dbraw/zinc/28/50/97/420285097.db2.gz AWRCOBSCEDGSDN-ZDEQEGDKSA-N 2 0 282.388 -0.426 20 0 CBADRP C[C@@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@H](C)[NH3+] ZINC000655968093 420285255 /nfs/dbraw/zinc/28/52/55/420285255.db2.gz MCDWOASKZYETJM-ZRUFSTJUSA-N 2 0 256.350 -0.818 20 0 CBADRP [NH3+]CC1(CCNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000655969029 420285562 /nfs/dbraw/zinc/28/55/62/420285562.db2.gz LWWLOAHTUYERRS-NWDGAFQWSA-N 2 0 282.388 -0.424 20 0 CBADRP C[NH+]1CCN(Cc2cn(CCCC[NH3+])nn2)CC1 ZINC000656439029 420310062 /nfs/dbraw/zinc/31/00/62/420310062.db2.gz JJAVOCMREKVCKE-UHFFFAOYSA-N 2 0 252.366 -0.236 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](Cn2cc([C@H]([NH3+])CO)nn2)C1 ZINC000656449052 420310221 /nfs/dbraw/zinc/31/02/21/420310221.db2.gz WWKUWSWTYPFVJB-VXGBXAGGSA-N 2 0 283.376 -0.373 20 0 CBADRP c1c(CN2CC[NH2+]CC2)nnn1[C@H]1CCC[NH2+]C1 ZINC000656468772 420311281 /nfs/dbraw/zinc/31/12/81/420311281.db2.gz SCMMYIRJVNXQSC-LBPRGKRZSA-N 2 0 250.350 -0.392 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673518551 544875323 /nfs/dbraw/zinc/87/53/23/544875323.db2.gz CKBPJZIITTXMSU-CHWSQXEVSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)Cn1cncn1)N1CC[NH+](C)CC1 ZINC000657870294 420363877 /nfs/dbraw/zinc/36/38/77/420363877.db2.gz BYKGWLZCNNBBBH-QWHCGFSZSA-N 2 0 266.393 -0.108 20 0 CBADRP Cn1ccnc1N1CCN(C[C@H]2CN(C)C(=O)O2)CC1 ZINC000496995125 420337659 /nfs/dbraw/zinc/33/76/59/420337659.db2.gz PBBWRDHPIKIUQW-LLVKDONJSA-N 2 0 279.344 -0.007 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000673522112 544876847 /nfs/dbraw/zinc/87/68/47/544876847.db2.gz SUHNEJVZHQXEPN-SNVBAGLBSA-N 2 0 266.345 -0.200 20 0 CBADRP C[C@H](Cn1cncn1)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000657873042 420364071 /nfs/dbraw/zinc/36/40/71/420364071.db2.gz QXLANAYGROFRPD-CHWSQXEVSA-N 2 0 294.403 -0.156 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000516180183 420361921 /nfs/dbraw/zinc/36/19/21/420361921.db2.gz DPTKOATZKJYWCM-QJPTWQEYSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000516180185 420362011 /nfs/dbraw/zinc/36/20/11/420362011.db2.gz DPTKOATZKJYWCM-SDDRHHMPSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656019144 420292386 /nfs/dbraw/zinc/29/23/86/420292386.db2.gz AEVXZHQANGMXRE-NWDGAFQWSA-N 2 0 282.388 -0.416 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656019811 420293075 /nfs/dbraw/zinc/29/30/75/420293075.db2.gz KBRNBIDAERYCPM-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000656021790 420293296 /nfs/dbraw/zinc/29/32/96/420293296.db2.gz KNSWZYRGZFSTFX-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656021706 420293883 /nfs/dbraw/zinc/29/38/83/420293883.db2.gz HFWZGZQFBSGFJG-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656019813 420293900 /nfs/dbraw/zinc/29/39/00/420293900.db2.gz KBRNBIDAERYCPM-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000656021635 420294195 /nfs/dbraw/zinc/29/41/95/420294195.db2.gz FGXKZJFHIYCDHP-UTUOFQBUSA-N 2 0 282.388 -0.689 20 0 CBADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[NH2+]CC1 ZINC000656027773 420294941 /nfs/dbraw/zinc/29/49/41/420294941.db2.gz DQQORJNKCULYMB-OLZOCXBDSA-N 2 0 294.399 -0.449 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000656028500 420295084 /nfs/dbraw/zinc/29/50/84/420295084.db2.gz LXEKPCQESZATBP-AGIUHOORSA-N 2 0 294.399 -0.321 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000656028506 420295456 /nfs/dbraw/zinc/29/54/56/420295456.db2.gz LXEKPCQESZATBP-XQQFMLRXSA-N 2 0 294.399 -0.321 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656042892 420295618 /nfs/dbraw/zinc/29/56/18/420295618.db2.gz WNOPTNUEFVMAQH-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[C@H](C)[NH2+]1 ZINC000656039518 420295663 /nfs/dbraw/zinc/29/56/63/420295663.db2.gz BUPMQAKCEMKNAS-ZDEQEGDKSA-N 2 0 296.415 -0.348 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656042823 420295828 /nfs/dbraw/zinc/29/58/28/420295828.db2.gz VOMRGIPSKIPRFY-QNWHQSFQSA-N 2 0 296.415 -0.348 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)CN2CCOCC2)C1 ZINC000656153046 420300192 /nfs/dbraw/zinc/30/01/92/420300192.db2.gz MTJABJKRTHADMG-MJBXVCDLSA-N 2 0 271.405 -0.391 20 0 CBADRP C[C@H](C[C@@H]1COCC[NH2+]1)N1CCN(c2nncn2C)CC1 ZINC000656199802 420302392 /nfs/dbraw/zinc/30/23/92/420302392.db2.gz DRZVVDAVJAYQRM-CHWSQXEVSA-N 2 0 294.403 -0.296 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000517338035 420374109 /nfs/dbraw/zinc/37/41/09/420374109.db2.gz BEYFXGUMXGYHNI-KWCYVHTRSA-N 2 0 295.431 -0.328 20 0 CBADRP O=C(NCCCCC[NH+]1CCCCC1)C(=O)NC1C[NH2+]C1 ZINC000517541569 420377868 /nfs/dbraw/zinc/37/78/68/420377868.db2.gz ONUQVNFBEQCOMC-UHFFFAOYSA-N 2 0 296.415 -0.153 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000517570250 420378497 /nfs/dbraw/zinc/37/84/97/420378497.db2.gz VMDXBBXMSPFEOF-SCVCMEIPSA-N 2 0 270.377 -0.800 20 0 CBADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCC[NH2+]CC1 ZINC000517720946 420379396 /nfs/dbraw/zinc/37/93/96/420379396.db2.gz VPKLAYSGBAOEKV-VIFPVBQESA-N 2 0 262.304 -0.012 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000518735678 420381990 /nfs/dbraw/zinc/38/19/90/420381990.db2.gz UVOPXGYZHYJWPB-NWDGAFQWSA-N 2 0 254.378 -0.462 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)C1CC[NH+](C2CC2)CC1 ZINC000519640078 420383059 /nfs/dbraw/zinc/38/30/59/420383059.db2.gz AVRVPAOSONOIJK-UHFFFAOYSA-N 2 0 280.416 -0.118 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000519654804 420385466 /nfs/dbraw/zinc/38/54/66/420385466.db2.gz VWRQQBMAUMHLLX-NWDGAFQWSA-N 2 0 253.346 -0.282 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000519714262 420387901 /nfs/dbraw/zinc/38/79/01/420387901.db2.gz OZEVSLBLXJJCPO-AEJSXWLSSA-N 2 0 257.334 -0.524 20 0 CBADRP CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000658806652 420389022 /nfs/dbraw/zinc/38/90/22/420389022.db2.gz IBPGJDMSZKPJKE-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CCN(C(=O)C(=O)N(C)Cc1c[nH]cn1)[C@H]1CC[N@H+](C)C1 ZINC000658801744 420389120 /nfs/dbraw/zinc/38/91/20/420389120.db2.gz FQGTXKICIHJEHL-LBPRGKRZSA-N 2 0 293.371 -0.079 20 0 CBADRP C[C@H](CC(N)=O)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000674047762 544896216 /nfs/dbraw/zinc/89/62/16/544896216.db2.gz VANGFLCAVUVERS-LLVKDONJSA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@@H](CNC(=O)[C@H](C)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000674246539 544898804 /nfs/dbraw/zinc/89/88/04/544898804.db2.gz NEFCNNSIAKCDQL-RYUDHWBXSA-N 2 0 256.394 -0.311 20 0 CBADRP C[C@@H](C(=O)NC[C@@H](NC(=O)[C@H](C)[NH+](C)C)C1CC1)[NH+](C)C ZINC000674246746 544899473 /nfs/dbraw/zinc/89/94/73/544899473.db2.gz QMIRWSZZPMOZEB-GMXVVIOVSA-N 2 0 298.431 -0.102 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000673532378 544880386 /nfs/dbraw/zinc/88/03/86/544880386.db2.gz ZXVFKUVPTSITBM-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000673532381 544880749 /nfs/dbraw/zinc/88/07/49/544880749.db2.gz ZXVFKUVPTSITBM-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000673663207 544883205 /nfs/dbraw/zinc/88/32/05/544883205.db2.gz WBOIEHZTGHWTJW-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CC[NH2+]CC1 ZINC000516927190 420366768 /nfs/dbraw/zinc/36/67/68/420366768.db2.gz BJEAQFLBJPJWQI-OKILXGFUSA-N 3 0 280.416 -0.260 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000673663210 544884501 /nfs/dbraw/zinc/88/45/01/544884501.db2.gz WBOIEHZTGHWTJW-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000676348053 544948563 /nfs/dbraw/zinc/94/85/63/544948563.db2.gz NTASWKLVUWYSGJ-ZIAGYGMSSA-N 2 0 298.431 -0.541 20 0 CBADRP C[C@@H](NC(=O)CN1CCN(C)CC1)[C@@H]1CN(C)CCO1 ZINC000676346633 544948722 /nfs/dbraw/zinc/94/87/22/544948722.db2.gz COTQICNFRDWATR-OLZOCXBDSA-N 2 0 284.404 -0.931 20 0 CBADRP CN1CCO[C@H](C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000676344921 544949023 /nfs/dbraw/zinc/94/90/23/544949023.db2.gz UUCUTBWJPXTIRY-KGLIPLIRSA-N 2 0 297.399 -0.314 20 0 CBADRP COC[C@@]1(CNC(=O)[C@@H]([NH3+])COC(C)C)CCC[NH2+]1 ZINC000659308835 420408404 /nfs/dbraw/zinc/40/84/04/420408404.db2.gz UPPJFVCYTNIERQ-AAEUAGOBSA-N 2 0 273.377 -0.377 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000659304406 420408856 /nfs/dbraw/zinc/40/88/56/420408856.db2.gz TXPOSAIJWOAIRT-GXSJLCMTSA-N 2 0 266.349 -0.421 20 0 CBADRP CC(=O)N1CC[C@]([NH3+])(C(=O)N[C@H](C[NH3+])CC(C)C)C1 ZINC000659297795 420409387 /nfs/dbraw/zinc/40/93/87/420409387.db2.gz RAUMXEIQAVOJQO-WCQYABFASA-N 2 0 270.377 -0.574 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000659304410 420409436 /nfs/dbraw/zinc/40/94/36/420409436.db2.gz TXPOSAIJWOAIRT-MWLCHTKSSA-N 2 0 266.349 -0.421 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)c1cn(CC[NH3+])nn1 ZINC000659323480 420409997 /nfs/dbraw/zinc/40/99/97/420409997.db2.gz BFXNZKATVODEEG-VIFPVBQESA-N 2 0 254.338 -0.660 20 0 CBADRP [NH3+]C1(C(=O)NC[C@H]2C[NH2+]CCO2)CC2(CCC2)C1 ZINC000659322708 420410895 /nfs/dbraw/zinc/41/08/95/420410895.db2.gz PKXKCDIPNWHOIO-SNVBAGLBSA-N 2 0 253.346 -0.247 20 0 CBADRP CC[NH+](CC)CCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659424382 420419026 /nfs/dbraw/zinc/41/90/26/420419026.db2.gz TVWLSRVBTLDLCH-UHFFFAOYSA-N 2 0 296.375 -0.218 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000659451260 420419959 /nfs/dbraw/zinc/41/99/59/420419959.db2.gz DGXFCMJILRADMC-NEPJUHHUSA-N 2 0 271.409 -0.471 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000659453586 420420679 /nfs/dbraw/zinc/42/06/79/420420679.db2.gz OFCLFULUXJPYHK-GHMZBOCLSA-N 2 0 257.382 -0.861 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000659451261 420420822 /nfs/dbraw/zinc/42/08/22/420420822.db2.gz DGXFCMJILRADMC-NWDGAFQWSA-N 2 0 271.409 -0.471 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000659461153 420421416 /nfs/dbraw/zinc/42/14/16/420421416.db2.gz XFHRJMXYRRKUNF-QWHCGFSZSA-N 2 0 285.436 -0.223 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCOC1 ZINC000677045266 544968639 /nfs/dbraw/zinc/96/86/39/544968639.db2.gz RTGYOZHUCIAKMY-LBPRGKRZSA-N 2 0 272.393 -0.090 20 0 CBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659356935 420413883 /nfs/dbraw/zinc/41/38/83/420413883.db2.gz AKYUHBWRUOQOCI-VXGBXAGGSA-N 2 0 284.404 -0.537 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659356933 420414378 /nfs/dbraw/zinc/41/43/78/420414378.db2.gz AKYUHBWRUOQOCI-NWDGAFQWSA-N 2 0 284.404 -0.537 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000659357974 420414400 /nfs/dbraw/zinc/41/44/00/420414400.db2.gz DYIMIMDXCCEPKR-LBPRGKRZSA-N 2 0 284.404 -0.537 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCCC(=O)N1 ZINC000677539475 544977831 /nfs/dbraw/zinc/97/78/31/544977831.db2.gz YLSZJTKHTZBUOB-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP C[NH2+]CCCNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659505124 420424300 /nfs/dbraw/zinc/42/43/00/420424300.db2.gz PPCPEVPIRDKCHO-UHFFFAOYSA-N 2 0 287.408 -0.743 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)C1 ZINC000659567905 420434635 /nfs/dbraw/zinc/43/46/35/420434635.db2.gz GUFDGSSMRSPWOG-UONOGXRCSA-N 2 0 295.431 -0.230 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCC2([NH3+])CCCC2)n1 ZINC000659575970 420434852 /nfs/dbraw/zinc/43/48/52/420434852.db2.gz XAKNZUWTUHPZTA-UHFFFAOYSA-N 2 0 294.359 -0.288 20 0 CBADRP O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)NCC12CC(C1)C[NH2+]2 ZINC000659613392 420436959 /nfs/dbraw/zinc/43/69/59/420436959.db2.gz FDBBJFHXPIYWRX-WZSRBFQBSA-N 2 0 294.399 -0.099 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)NCCN1CC[NH2+]CC1 ZINC000659507704 420425809 /nfs/dbraw/zinc/42/58/09/420425809.db2.gz NDAPMFKFUBGBQQ-UHFFFAOYSA-N 2 0 267.377 -0.976 20 0 CBADRP [NH3+]C1(CNC(=O)NCCN2CC[NH2+]CC2)CCCC1 ZINC000659508339 420425902 /nfs/dbraw/zinc/42/59/02/420425902.db2.gz UEQACWPHGDEWSP-UHFFFAOYSA-N 2 0 269.393 -0.538 20 0 CBADRP CC(C)NC(=O)CN(C)CC(=O)N(C)CCC[NH+](C)C ZINC000678866945 545021729 /nfs/dbraw/zinc/02/17/29/545021729.db2.gz GXSQERASFJPOSA-UHFFFAOYSA-N 2 0 286.420 -0.147 20 0 CBADRP C[NH+](C)CCC[C@H]1CN(C(=O)NCC2C[NH2+]C2)CCO1 ZINC000659527643 420427953 /nfs/dbraw/zinc/42/79/53/420427953.db2.gz LZNDCCGUMOGXMD-ZDUSSCGKSA-N 2 0 284.404 -0.042 20 0 CBADRP C[C@H]1C[C@H](N2CCOCC2)CN1N1CCN(CCO)CC1 ZINC000377026236 230271176 /nfs/dbraw/zinc/27/11/76/230271176.db2.gz AHMHKAJTQTUKHJ-GJZGRUSLSA-N 2 0 298.431 -0.694 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000659545399 420430963 /nfs/dbraw/zinc/43/09/63/420430963.db2.gz LYRSMUNIAPVQFG-MOKVOYLWSA-N 2 0 295.431 -0.136 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659550652 420432446 /nfs/dbraw/zinc/43/24/46/420432446.db2.gz RNPOWXUKCNAJIH-NSHDSACASA-N 2 0 287.408 -0.615 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659751048 420467735 /nfs/dbraw/zinc/46/77/35/420467735.db2.gz JHKCSVBYAKHXEZ-GFCCVEGCSA-N 2 0 286.420 -0.099 20 0 CBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659752656 420467951 /nfs/dbraw/zinc/46/79/51/420467951.db2.gz KZIYNTMPPWFTPO-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000659752814 420468194 /nfs/dbraw/zinc/46/81/94/420468194.db2.gz NWEHQXSFGKNQQP-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659752658 420468351 /nfs/dbraw/zinc/46/83/51/420468351.db2.gz KZIYNTMPPWFTPO-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000659751606 420468379 /nfs/dbraw/zinc/46/83/79/420468379.db2.gz HYUDKAMYOCXJJQ-NSHDSACASA-N 2 0 284.404 -0.301 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000659757326 420469455 /nfs/dbraw/zinc/46/94/55/420469455.db2.gz WZEXXXLPFFBYAM-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CCN(C(=O)[C@H](C)[NH+](C)C)C1CN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000684497936 545075215 /nfs/dbraw/zinc/07/52/15/545075215.db2.gz RXSYIVPFRLBDHD-RYUDHWBXSA-N 2 0 298.431 -0.054 20 0 CBADRP CC1(C)CN(C(=O)NCC23CC(C2)C[NH2+]3)CC[N@@H+]1CCO ZINC000659615348 420438897 /nfs/dbraw/zinc/43/88/97/420438897.db2.gz ZHHKBELQZHEFPB-UHFFFAOYSA-N 2 0 296.415 -0.164 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659619034 420439174 /nfs/dbraw/zinc/43/91/74/420439174.db2.gz TUHPIGNBJYMAJN-UHFFFAOYSA-N 2 0 284.404 -0.042 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000659634138 420439768 /nfs/dbraw/zinc/43/97/68/420439768.db2.gz BODSDRDHGBJRPE-UTUOFQBUSA-N 2 0 272.393 -0.309 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000659634346 420440250 /nfs/dbraw/zinc/44/02/50/420440250.db2.gz KESJKOUMOKVQNC-NSHDSACASA-N 2 0 272.393 -0.308 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000659639052 420441632 /nfs/dbraw/zinc/44/16/32/420441632.db2.gz JINMSPMXOJKFJF-STQMWFEESA-N 2 0 285.436 -0.081 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)COC2CC[NH2+]CC2)n1 ZINC000565538563 420442627 /nfs/dbraw/zinc/44/26/27/420442627.db2.gz UIEWUNLLUWMIDB-UHFFFAOYSA-N 2 0 295.387 0.152 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000659648565 420442723 /nfs/dbraw/zinc/44/27/23/420442723.db2.gz TXLWTFYWAIXLCF-SNVBAGLBSA-N 2 0 258.366 -0.650 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000659642094 420443052 /nfs/dbraw/zinc/44/30/52/420443052.db2.gz JFXIIPGPERYYIR-RYUDHWBXSA-N 2 0 269.393 -0.717 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000659642071 420443392 /nfs/dbraw/zinc/44/33/92/420443392.db2.gz JCANQHDGGBWKRW-NWDGAFQWSA-N 2 0 272.393 -0.260 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000659642095 420443770 /nfs/dbraw/zinc/44/37/70/420443770.db2.gz JFXIIPGPERYYIR-VXGBXAGGSA-N 2 0 269.393 -0.717 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659674202 420446782 /nfs/dbraw/zinc/44/67/82/420446782.db2.gz DASXFZABMDGNRL-XIKARTHZSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](c1ccco1)N(C)C ZINC000659673164 420446949 /nfs/dbraw/zinc/44/69/49/420446949.db2.gz HSSBGZUUSYDBMP-GHMZBOCLSA-N 2 0 296.371 -0.277 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC[N@@H+]1C ZINC000659679528 420447569 /nfs/dbraw/zinc/44/75/69/420447569.db2.gz ZIPXYXFALHABKP-AKUZOMFGSA-N 2 0 294.399 -0.465 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000659681256 420447649 /nfs/dbraw/zinc/44/76/49/420447649.db2.gz SCRZXPOPZZNZOZ-AGIUHOORSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@@H+]1C ZINC000659679562 420447866 /nfs/dbraw/zinc/44/78/66/420447866.db2.gz ZLLLFECZEJJACO-BVWOZKJXSA-N 2 0 294.399 -0.547 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000659680216 420448122 /nfs/dbraw/zinc/44/81/22/420448122.db2.gz VLVULEQZKUQWPU-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])C1CC[NH+](C)CC1 ZINC000659696423 420450836 /nfs/dbraw/zinc/45/08/36/420450836.db2.gz NXZDUVYNKWBUAN-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659693867 420450964 /nfs/dbraw/zinc/45/09/64/420450964.db2.gz CIXVRSNGCIIINA-CMPLNLGQSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000659694217 420451229 /nfs/dbraw/zinc/45/12/29/420451229.db2.gz RTVJNSHKLSVEEQ-WDEREUQCSA-N 2 0 296.415 -0.077 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000659700716 420451577 /nfs/dbraw/zinc/45/15/77/420451577.db2.gz SMLOZUMQRDJICX-WDEREUQCSA-N 2 0 286.420 -0.197 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659699107 420452006 /nfs/dbraw/zinc/45/20/06/420452006.db2.gz LKINTTKASRLYFV-QWRGUYRKSA-N 2 0 272.393 -0.443 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000659705227 420452705 /nfs/dbraw/zinc/45/27/05/420452705.db2.gz UIMXLXDZNPGVFP-LBPRGKRZSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000659703732 420453145 /nfs/dbraw/zinc/45/31/45/420453145.db2.gz GAOHEQRTEIRSKY-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659706131 420453287 /nfs/dbraw/zinc/45/32/87/420453287.db2.gz IOPCSRIKDFNWJI-UHFFFAOYSA-N 2 0 282.388 -0.606 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000659703733 420453416 /nfs/dbraw/zinc/45/34/16/420453416.db2.gz GAOHEQRTEIRSKY-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)[N@H+](C)C1CC1 ZINC000659701930 420453427 /nfs/dbraw/zinc/45/34/27/420453427.db2.gz KIKPGYBZHCNGJZ-NSHDSACASA-N 2 0 296.415 -0.027 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000659707154 420454374 /nfs/dbraw/zinc/45/43/74/420454374.db2.gz AXDLYVLNVDYHJD-LLVKDONJSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000659711774 420454838 /nfs/dbraw/zinc/45/48/38/420454838.db2.gz ASJLCKVFPKCBEU-NWDGAFQWSA-N 2 0 284.404 -0.314 20 0 CBADRP [NH3+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659711284 420455432 /nfs/dbraw/zinc/45/54/32/420455432.db2.gz YXIRQNLLGKOILX-LLVKDONJSA-N 2 0 282.388 -0.416 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000659710790 420455451 /nfs/dbraw/zinc/45/54/51/420455451.db2.gz UXJAGWQLOAGJTJ-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000659714004 420456409 /nfs/dbraw/zinc/45/64/09/420456409.db2.gz IOSXFXRJRBFAKY-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000659714710 420456640 /nfs/dbraw/zinc/45/66/40/420456640.db2.gz LWVAXLJAYJZFDQ-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000659714708 420456714 /nfs/dbraw/zinc/45/67/14/420456714.db2.gz LWVAXLJAYJZFDQ-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659718214 420458004 /nfs/dbraw/zinc/45/80/04/420458004.db2.gz MRXPAXKYQXUZLG-QWRGUYRKSA-N 2 0 284.404 -0.314 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000659717501 420458090 /nfs/dbraw/zinc/45/80/90/420458090.db2.gz HZTOQQIQGZDDGY-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000659718397 420458301 /nfs/dbraw/zinc/45/83/01/420458301.db2.gz NXOQNEYGCGUHGT-OLZOCXBDSA-N 2 0 298.431 -0.066 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000659725710 420459847 /nfs/dbraw/zinc/45/98/47/420459847.db2.gz YKQJDPLLSKEZBD-LLVKDONJSA-N 2 0 282.388 -0.416 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000659726288 420460065 /nfs/dbraw/zinc/46/00/65/420460065.db2.gz IXKCTUYCXQEEAO-XQQFMLRXSA-N 2 0 294.399 -0.402 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000659732236 420461955 /nfs/dbraw/zinc/46/19/55/420461955.db2.gz LJUNWYRFDXEUEU-AGIUHOORSA-N 2 0 294.399 -0.593 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659733902 420462041 /nfs/dbraw/zinc/46/20/41/420462041.db2.gz YOTITHUFXFODBY-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC[C@H]21 ZINC000659732238 420462560 /nfs/dbraw/zinc/46/25/60/420462560.db2.gz LJUNWYRFDXEUEU-FRRDWIJNSA-N 2 0 294.399 -0.593 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]2C[NH2+]C)C1 ZINC000659738159 420462751 /nfs/dbraw/zinc/46/27/51/420462751.db2.gz AUBZCPZFUVHQLZ-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000659738225 420463058 /nfs/dbraw/zinc/46/30/58/420463058.db2.gz BZJKEEPYVWTTQR-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)C1 ZINC000659739719 420464699 /nfs/dbraw/zinc/46/46/99/420464699.db2.gz YLNMZRMSJVWCAE-AGIUHOORSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000659741943 420464922 /nfs/dbraw/zinc/46/49/22/420464922.db2.gz RIUFWWRQNKQYSZ-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000659739433 420465140 /nfs/dbraw/zinc/46/51/40/420465140.db2.gz UJQAZWWGEJQLAY-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000659745383 420465987 /nfs/dbraw/zinc/46/59/87/420465987.db2.gz YUGRQSLGTCLTJV-GFCCVEGCSA-N 2 0 286.420 -0.114 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659744380 420466381 /nfs/dbraw/zinc/46/63/81/420466381.db2.gz UGFCJTROEVRVBZ-UHFFFAOYSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[N@H+](C)C[C@H](O)CN[C@H](CO)c1cnn(C)c1 ZINC000660271654 420488089 /nfs/dbraw/zinc/48/80/89/420488089.db2.gz ZWBMTZJDPGDESN-CHWSQXEVSA-N 2 0 270.377 -0.256 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000517745884 260022393 /nfs/dbraw/zinc/02/23/93/260022393.db2.gz MMNLETWHPFGHFS-GUBZILKMSA-N 2 0 256.350 -0.903 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000521646649 260198734 /nfs/dbraw/zinc/19/87/34/260198734.db2.gz WZZJOPWYBSIDBN-YFKTTZPYSA-N 2 0 280.372 -0.855 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000518023477 260336059 /nfs/dbraw/zinc/33/60/59/260336059.db2.gz PSOBAPPEJXSPFB-OSAQELSMSA-N 2 0 296.415 -0.165 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)C[C@@]1(C)C[NH3+] ZINC000521434293 262336257 /nfs/dbraw/zinc/33/62/57/262336257.db2.gz NNXKRPAEJMWRLI-NTZNESFSSA-N 2 0 255.362 -0.192 20 0 CBADRP CO[C@@H](C)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000518965199 265253373 /nfs/dbraw/zinc/25/33/73/265253373.db2.gz KEAFXDRLJVHXFS-STQMWFEESA-N 2 0 259.394 -0.391 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000519156808 265336322 /nfs/dbraw/zinc/33/63/22/265336322.db2.gz PBOMDPTWHMYWAK-QWRGUYRKSA-N 2 0 268.361 -0.996 20 0 CBADRP C[C@]1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCC[NH2+]1 ZINC000519781220 265591019 /nfs/dbraw/zinc/59/10/19/265591019.db2.gz ZETZTUMGWNWUTJ-SMDDNHRTSA-N 2 0 282.388 -0.558 20 0 CBADRP C[NH+](C)CCCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000080976247 269566011 /nfs/dbraw/zinc/56/60/11/269566011.db2.gz LLNQFSRIMQZDAA-GFCCVEGCSA-N 2 0 284.404 -0.536 20 0 CBADRP CC[NH+](CC)CCCNC(=O)NCCN1CC[NH2+]CC1 ZINC000242729939 269582240 /nfs/dbraw/zinc/58/22/40/269582240.db2.gz DCLHPJQRNGTFKH-UHFFFAOYSA-N 2 0 285.436 -0.077 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529340502 269631758 /nfs/dbraw/zinc/63/17/58/269631758.db2.gz PBIZDFUJYGBAJT-VXGBXAGGSA-N 2 0 281.404 -0.526 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)C1CC1 ZINC000419521289 276125228 /nfs/dbraw/zinc/12/52/28/276125228.db2.gz JYGLLEOQUMQORS-TXEJJXNPSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1C[C@H](OC)C[NH2+]1)C1CC1 ZINC000187945002 276348382 /nfs/dbraw/zinc/34/83/82/276348382.db2.gz ZBULFEGJUVIPSX-NWDGAFQWSA-N 2 0 255.362 -0.036 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000332355625 276366532 /nfs/dbraw/zinc/36/65/32/276366532.db2.gz SCCZVPMNYLROHJ-BETUJISGSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000420154819 276422145 /nfs/dbraw/zinc/42/21/45/276422145.db2.gz JLRLAMCNAYMEEJ-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)Cc1ccccc1 ZINC000432532625 276778368 /nfs/dbraw/zinc/77/83/68/276778368.db2.gz XVNSRKWZIMMUCS-QLFBSQMISA-N 2 0 291.395 -0.002 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)CNC(=O)C[NH3+])c1ccc(F)cc1 ZINC000262136755 276819117 /nfs/dbraw/zinc/81/91/17/276819117.db2.gz LJGOONRHNBFBDW-LBPRGKRZSA-N 2 0 296.346 -0.381 20 0 CBADRP C[N@H+](C[C@H](O)CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000685562527 545081846 /nfs/dbraw/zinc/08/18/46/545081846.db2.gz RBBROGDYIKBNLC-XHSDSOJGSA-N 2 0 297.443 -0.028 20 0 CBADRP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262300690 277035689 /nfs/dbraw/zinc/03/56/89/277035689.db2.gz XJFDWYXBOVRIDW-GFCCVEGCSA-N 2 0 275.418 0.000 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423380274 277221390 /nfs/dbraw/zinc/22/13/90/277221390.db2.gz NPXFPLFVNWZJLD-BZPMIXESSA-N 2 0 267.373 -0.035 20 0 CBADRP COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCOCC[NH3+])C1 ZINC000357080749 277228815 /nfs/dbraw/zinc/22/88/15/277228815.db2.gz NDARLDRIBRVMOX-OLZOCXBDSA-N 2 0 287.404 -0.175 20 0 CBADRP CNC(=O)C[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000361109539 277232655 /nfs/dbraw/zinc/23/26/55/277232655.db2.gz NEXBGFKQKBOLFS-OLZOCXBDSA-N 2 0 270.421 -0.016 20 0 CBADRP CC(C)([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000430883271 277305915 /nfs/dbraw/zinc/30/59/15/277305915.db2.gz BZZNGTHBIYDFRM-JTQLQIEISA-N 2 0 270.377 -0.573 20 0 CBADRP CC(C)([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419701227 277306746 /nfs/dbraw/zinc/30/67/46/277306746.db2.gz YVTOBNHJDAMOBI-NSHDSACASA-N 2 0 296.415 -0.027 20 0 CBADRP CC(C)([NH3+])CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000418409891 277307396 /nfs/dbraw/zinc/30/73/96/277307396.db2.gz ATDUGXJZHYCRFL-NSHDSACASA-N 2 0 272.393 -0.130 20 0 CBADRP CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000418343404 277315951 /nfs/dbraw/zinc/31/59/51/277315951.db2.gz JMSAGRXFRKBYMX-LLVKDONJSA-N 2 0 270.377 -0.554 20 0 CBADRP CC(C)C[NH+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000037821705 277403101 /nfs/dbraw/zinc/40/31/01/277403101.db2.gz ABUFQVCVMJCGNO-NWDGAFQWSA-N 2 0 255.362 -0.491 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419431715 278185479 /nfs/dbraw/zinc/18/54/79/278185479.db2.gz XRYKBJSJHUQPBW-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CNC(=O)C[NH3+] ZINC000262442668 278189429 /nfs/dbraw/zinc/18/94/29/278189429.db2.gz UVMWCWZGKGXRLX-GHMZBOCLSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000419730512 278246018 /nfs/dbraw/zinc/24/60/18/278246018.db2.gz KCJQQHUDHJOHSE-WCQYABFASA-N 2 0 296.415 -0.075 20 0 CBADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000037001341 278973788 /nfs/dbraw/zinc/97/37/88/278973788.db2.gz VHMRMAVFDGKQLB-SDDRHHMPSA-N 2 0 257.378 -0.198 20 0 CBADRP CC[N@H+](CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)C1CC1 ZINC000376075128 279051885 /nfs/dbraw/zinc/05/18/85/279051885.db2.gz UAAWBIKEQHUBFO-AWEZNQCLSA-N 2 0 280.416 -0.023 20 0 CBADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000347878120 279090211 /nfs/dbraw/zinc/09/02/11/279090211.db2.gz DUMPIULHOJSNCV-GFCCVEGCSA-N 2 0 256.394 -0.310 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000420111243 279096578 /nfs/dbraw/zinc/09/65/78/279096578.db2.gz GIPJTEMZQSKRQC-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419732451 279105014 /nfs/dbraw/zinc/10/50/14/279105014.db2.gz MQUFARMWVMFZHA-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000418919859 279114318 /nfs/dbraw/zinc/11/43/18/279114318.db2.gz BBLLPMSWBJFFPA-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418936842 279114506 /nfs/dbraw/zinc/11/45/06/279114506.db2.gz KLGUYPVXWSPIMX-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418949233 279126906 /nfs/dbraw/zinc/12/69/06/279126906.db2.gz ROWUJABJMVPAKE-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)C1CC1 ZINC000419520649 279189838 /nfs/dbraw/zinc/18/98/38/279189838.db2.gz IGMRRCYGPJRCCI-LLVKDONJSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000431027491 288116524 /nfs/dbraw/zinc/11/65/24/288116524.db2.gz WPZMFUDFBVUKOZ-WXHSDQCUSA-N 2 0 267.373 -0.036 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[N@H+](C)C1CC1 ZINC000419594219 279324983 /nfs/dbraw/zinc/32/49/83/279324983.db2.gz UNRBEROGFKKYCA-GHMZBOCLSA-N 2 0 282.388 -0.594 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419884214 279331598 /nfs/dbraw/zinc/33/15/98/279331598.db2.gz FNCFBSOSMWKVCQ-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339636198 279331688 /nfs/dbraw/zinc/33/16/88/279331688.db2.gz CGPNHEZAQJMJEI-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000419998006 279875800 /nfs/dbraw/zinc/87/58/00/279875800.db2.gz MHKIXVSFCBIHMT-NEPJUHHUSA-N 2 0 284.404 -0.362 20 0 CBADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000368115069 280069794 /nfs/dbraw/zinc/06/97/94/280069794.db2.gz MEHFDTUGYHPSKT-BJDJZHNGSA-N 2 0 255.362 -0.683 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000418734389 280165580 /nfs/dbraw/zinc/16/55/80/280165580.db2.gz RYVUTCLEKYWUCU-NEPJUHHUSA-N 2 0 272.393 -0.130 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377529338 280272888 /nfs/dbraw/zinc/27/28/88/280272888.db2.gz BQWYLYHEVUFNDY-RYUDHWBXSA-N 2 0 254.378 -0.524 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000376054437 280273237 /nfs/dbraw/zinc/27/32/37/280273237.db2.gz HFFLWIFYYXRNBY-RYUDHWBXSA-N 2 0 254.378 -0.524 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)CC[N@@H+]1C[C@H](C)O ZINC000246578400 280369226 /nfs/dbraw/zinc/36/92/26/280369226.db2.gz VMDGDPCTWPSFFT-YNEHKIRRSA-N 2 0 269.389 -0.101 20 0 CBADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000417807768 280990605 /nfs/dbraw/zinc/99/06/05/280990605.db2.gz KLZIGQXJUYUEEJ-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP CC1(C)CCC[NH2+][C@H]1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000417807769 280997974 /nfs/dbraw/zinc/99/79/74/280997974.db2.gz KLZIGQXJUYUEEJ-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP CC1(C)CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]1 ZINC000331377055 281151273 /nfs/dbraw/zinc/15/12/73/281151273.db2.gz HGNRGHXTTWGIER-NSHDSACASA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000332578856 288306950 /nfs/dbraw/zinc/30/69/50/288306950.db2.gz AMSGJANYSAUXOS-UPJWGTAASA-N 2 0 294.399 -0.369 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000332187922 288307333 /nfs/dbraw/zinc/30/73/33/288307333.db2.gz TXXZLXDVFMRLKY-WOPDTQHZSA-N 2 0 280.372 -0.840 20 0 CBADRP C[NH+](C)C/C=C/C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000493320923 282018569 /nfs/dbraw/zinc/01/85/69/282018569.db2.gz MWWPFVOVKJTREB-XGACYXMMSA-N 2 0 267.373 -0.323 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCC1 ZINC000419221029 282026866 /nfs/dbraw/zinc/02/68/66/282026866.db2.gz BTZAPRSXESFYPR-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP COCC[C@@]1(C(=O)N[C@@H](C[NH3+])C2CC2)CC[NH2+]C1 ZINC000370798534 292661035 /nfs/dbraw/zinc/66/10/35/292661035.db2.gz PWQCXXYNCSJQGK-AAEUAGOBSA-N 2 0 255.362 -0.144 20 0 CBADRP C[NH+](C)C/C=C\C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000491875073 289039744 /nfs/dbraw/zinc/03/97/44/289039744.db2.gz XYQUNMPVGFPZSE-FOQNGQEVSA-N 2 0 255.362 -0.107 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)CCC1 ZINC000419249859 289043516 /nfs/dbraw/zinc/04/35/16/289043516.db2.gz ZPDRFWBOKIXEBY-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCC[N@@H+]1C ZINC000419566033 289050144 /nfs/dbraw/zinc/05/01/44/289050144.db2.gz ZMPXEBOAGQBGNR-FRRDWIJNSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424136971 289068100 /nfs/dbraw/zinc/06/81/00/289068100.db2.gz BLHADFHFGRGRNL-NEPJUHHUSA-N 2 0 254.378 -0.524 20 0 CBADRP C[NH+](C)CC1(CNC(=O)C(=O)NCC[NH3+])CCCC1 ZINC000418818958 289086572 /nfs/dbraw/zinc/08/65/72/289086572.db2.gz JMXXGZDMKCNXPU-UHFFFAOYSA-N 2 0 270.377 -0.701 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351760181 289127541 /nfs/dbraw/zinc/12/75/41/289127541.db2.gz FJWMZCYOKZSRMR-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418389495 289131048 /nfs/dbraw/zinc/13/10/48/289131048.db2.gz TYLMDXMIAKTWFS-CYBMUJFWSA-N 2 0 285.436 -0.127 20 0 CBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CCOC1C[NH2+]C1 ZINC000423738816 289137089 /nfs/dbraw/zinc/13/70/89/289137089.db2.gz FETPUEWBCSXOQA-ZDUSSCGKSA-N 2 0 299.415 -0.066 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)C[NH2+]CC2CC2)CCO1 ZINC000423754830 289197428 /nfs/dbraw/zinc/19/74/28/289197428.db2.gz IRIFLYFVUHFDQT-GFCCVEGCSA-N 2 0 255.362 -0.225 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000165607705 289278675 /nfs/dbraw/zinc/27/86/75/289278675.db2.gz MKSDRAKMPOJQMT-NEPJUHHUSA-N 2 0 255.362 -0.179 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000516316015 289290555 /nfs/dbraw/zinc/29/05/55/289290555.db2.gz YHSOBOAUIXWUOA-WDEREUQCSA-N 2 0 268.361 -0.983 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000419138168 289297867 /nfs/dbraw/zinc/29/78/67/289297867.db2.gz QKGIIIWZDOZYGN-JHJVBQTASA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000419135282 289304476 /nfs/dbraw/zinc/30/44/76/289304476.db2.gz KWIISFJPQXWOHU-WDEREUQCSA-N 2 0 284.404 -0.171 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)C[C@H]1COCC[NH2+]1)C1CC1 ZINC000262312796 289353708 /nfs/dbraw/zinc/35/37/08/289353708.db2.gz DAGRZXGIMVAKFX-NWDGAFQWSA-N 2 0 255.362 -0.179 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000091431357 289367483 /nfs/dbraw/zinc/36/74/83/289367483.db2.gz VWOUBGQBHPVGCI-LBPRGKRZSA-N 2 0 282.388 -0.639 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000423716682 289539444 /nfs/dbraw/zinc/53/94/44/289539444.db2.gz IVTVVMHUWAXOKF-OLZOCXBDSA-N 2 0 296.415 -0.121 20 0 CBADRP C[NH+]1CCC(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000343654381 289870214 /nfs/dbraw/zinc/87/02/14/289870214.db2.gz JWJAQFCVSUDGHZ-CQSZACIVSA-N 2 0 280.416 -0.166 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C1([NH3+])CCCC1 ZINC000068807594 290035658 /nfs/dbraw/zinc/03/56/58/290035658.db2.gz WQDYIHWNWAMWNY-LLVKDONJSA-N 2 0 254.378 -0.380 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418651454 290061306 /nfs/dbraw/zinc/06/13/06/290061306.db2.gz YGERWMJVULIDCA-OLZOCXBDSA-N 2 0 297.447 -0.033 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418651456 290062391 /nfs/dbraw/zinc/06/23/91/290062391.db2.gz YGERWMJVULIDCA-STQMWFEESA-N 2 0 297.447 -0.033 20 0 CBADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)COC2C[NH2+]C2)CC1 ZINC000261997675 290083786 /nfs/dbraw/zinc/08/37/86/290083786.db2.gz OLZVVNCNSKGLPS-LBPRGKRZSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)C[C@H]1C ZINC000430723999 290092608 /nfs/dbraw/zinc/09/26/08/290092608.db2.gz UNWGGNOJHHXRSO-AGIUHOORSA-N 2 0 285.388 -0.722 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@@H]2CC[NH2+]C2)C[C@H]1C ZINC000427290681 290093062 /nfs/dbraw/zinc/09/30/62/290093062.db2.gz BUJZDQMLERCMNR-AGIUHOORSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000333813736 290095783 /nfs/dbraw/zinc/09/57/83/290095783.db2.gz JULOVMGDHLFFRR-AVGNSLFASA-N 2 0 284.404 -0.165 20 0 CBADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000418675992 290186633 /nfs/dbraw/zinc/18/66/33/290186633.db2.gz SDIMHSLBSGPMJP-OWTLIXCDSA-N 2 0 264.373 -0.059 20 0 CBADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)CNC(=O)C[NH3+] ZINC000037622991 290386289 /nfs/dbraw/zinc/38/62/89/290386289.db2.gz NDEIBZCYQALOAY-NSHDSACASA-N 2 0 270.377 -0.558 20 0 CBADRP C[C@@H]1C[N@H+](CCOCCO)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343919653 297007752 /nfs/dbraw/zinc/00/77/52/297007752.db2.gz GYMFJOBZTQPKJL-HUUCEWRRSA-N 2 0 285.432 -0.047 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000237929307 295149894 /nfs/dbraw/zinc/14/98/94/295149894.db2.gz SNSUOXKTSBQSTR-RYUDHWBXSA-N 2 0 282.388 -0.558 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000364475274 295234394 /nfs/dbraw/zinc/23/43/94/295234394.db2.gz BCMBVYFWXNRFJU-CHWSQXEVSA-N 2 0 296.415 -0.168 20 0 CBADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000333803417 295266601 /nfs/dbraw/zinc/26/66/01/295266601.db2.gz IFDUKSUSIGCELK-NEPJUHHUSA-N 2 0 282.388 -0.112 20 0 CBADRP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000364726621 295270918 /nfs/dbraw/zinc/27/09/18/295270918.db2.gz ZKRCGXOPSUMFAQ-SCZZXKLOSA-N 2 0 263.345 -0.087 20 0 CBADRP NS(=O)(=O)C[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261656369 295284114 /nfs/dbraw/zinc/28/41/14/295284114.db2.gz BIWDPMFVDKXUSF-LLVKDONJSA-N 2 0 261.391 -0.261 20 0 CBADRP NS(=O)(=O)[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261648193 295286508 /nfs/dbraw/zinc/28/65/08/295286508.db2.gz ATUZSNMSACHPDO-NSHDSACASA-N 2 0 261.391 -0.261 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000332065154 295301440 /nfs/dbraw/zinc/30/14/40/295301440.db2.gz RHXGJTLHZQTEBS-AGIUHOORSA-N 2 0 294.399 -0.321 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCO3)C[C@H]21 ZINC000374594751 295308848 /nfs/dbraw/zinc/30/88/48/295308848.db2.gz NLBMHFYBILUWFG-KKOKHZNYSA-N 2 0 253.346 -0.439 20 0 CBADRP [NH3+][C@H]1C[C@H]2C[N@H+](CC3CC[NH2+]CC3)CCN2C1=O ZINC000515073207 295343053 /nfs/dbraw/zinc/34/30/53/295343053.db2.gz NGLPWLZERHLINK-RYUDHWBXSA-N 3 0 252.362 -0.770 20 0 CBADRP O=C(C1C[NH2+]C1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262222381 295454771 /nfs/dbraw/zinc/45/47/71/295454771.db2.gz KPZSZKVNBPCHGN-LLVKDONJSA-N 2 0 253.346 -0.614 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000167411868 295498622 /nfs/dbraw/zinc/49/86/22/295498622.db2.gz ZRUQXKQDZXWATK-ZDUSSCGKSA-N 2 0 294.399 -0.495 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000333520552 297093338 /nfs/dbraw/zinc/09/33/38/297093338.db2.gz KOZOAHAAGIHZPW-UPJWGTAASA-N 2 0 282.388 -0.147 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000332187919 297097162 /nfs/dbraw/zinc/09/71/62/297097162.db2.gz TXXZLXDVFMRLKY-UTUOFQBUSA-N 2 0 280.372 -0.840 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000333520548 297098401 /nfs/dbraw/zinc/09/84/01/297098401.db2.gz KOZOAHAAGIHZPW-FRRDWIJNSA-N 2 0 282.388 -0.147 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000333520547 297098473 /nfs/dbraw/zinc/09/84/73/297098473.db2.gz KOZOAHAAGIHZPW-AGIUHOORSA-N 2 0 282.388 -0.147 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333663657 297538362 /nfs/dbraw/zinc/53/83/62/297538362.db2.gz LYFYWAMJMXJRMR-IHRRRGAJSA-N 2 0 295.431 -0.184 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419145565 298406068 /nfs/dbraw/zinc/40/60/68/298406068.db2.gz HNTYAUMJNDHTPL-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000420005454 298417627 /nfs/dbraw/zinc/41/76/27/298417627.db2.gz PJFMBCKERPPLFB-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000419126183 298538347 /nfs/dbraw/zinc/53/83/47/298538347.db2.gz VQZZHEWKXDGLAI-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)[NH+](C)C ZINC000433376688 298769487 /nfs/dbraw/zinc/76/94/87/298769487.db2.gz OKMODAQFVDZMLW-GHMZBOCLSA-N 2 0 280.376 -0.118 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000167396279 298944553 /nfs/dbraw/zinc/94/45/53/298944553.db2.gz HXGMIKNPCUGNBN-RYUDHWBXSA-N 2 0 255.362 -0.096 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000424184183 300219707 /nfs/dbraw/zinc/21/97/07/300219707.db2.gz XFCGFDWDLYHNRE-QJPTWQEYSA-N 2 0 255.362 -0.227 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCN1CCOCC1 ZINC000436055470 303372935 /nfs/dbraw/zinc/37/29/35/303372935.db2.gz BKDJHSNTGXUKFP-AWEZNQCLSA-N 2 0 298.431 -0.362 20 0 CBADRP [NH3+][C@H]1CCC[C@H](C(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)C1 ZINC000374506922 303485558 /nfs/dbraw/zinc/48/55/58/303485558.db2.gz QYONFYXTKHMXJO-YFKTTZPYSA-N 2 0 253.346 -0.297 20 0 CBADRP O=C(N1CCN([C@H]2CC[NH2+]C2)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000368006690 303680797 /nfs/dbraw/zinc/68/07/97/303680797.db2.gz BDFJNSQIATVQLZ-IJEWVQPXSA-N 2 0 292.427 -0.118 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000333556596 303797587 /nfs/dbraw/zinc/79/75/87/303797587.db2.gz KWKWJHDBDWSELC-SGMGOOAPSA-N 2 0 267.373 -0.129 20 0 CBADRP O=C(NC[C@H]1C[NH2+]C[C@H]1O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262425670 303810760 /nfs/dbraw/zinc/81/07/60/303810760.db2.gz SHQFBTISJWETPR-GFQSEFKGSA-N 2 0 267.373 -0.537 20 0 CBADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000570715655 327613911 /nfs/dbraw/zinc/61/39/11/327613911.db2.gz LYCCKGUZOPGZDA-KCQAQPDRSA-N 2 0 278.400 -0.508 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)CC(C)(C)C[NH3+] ZINC000570803446 327620278 /nfs/dbraw/zinc/62/02/78/327620278.db2.gz SSOYKEQRUDOODQ-NSHDSACASA-N 2 0 272.393 -0.471 20 0 CBADRP CC[NH+]1CCC(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000570839065 327625275 /nfs/dbraw/zinc/62/52/75/327625275.db2.gz KHSWLNNQUZJWQN-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cn(CCC[NH3+])nn1 ZINC000580063600 327688717 /nfs/dbraw/zinc/68/87/17/327688717.db2.gz RHZWQSWHDWWWES-CMPLNLGQSA-N 2 0 280.376 -0.031 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NCC[NH+]2CCCCC2)nn1 ZINC000563061046 327856092 /nfs/dbraw/zinc/85/60/92/327856092.db2.gz WPEDGELYPPRJIA-UHFFFAOYSA-N 2 0 280.376 -0.157 20 0 CBADRP C[C@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000563086671 327912405 /nfs/dbraw/zinc/91/24/05/327912405.db2.gz AXLPPERENKTBTN-QWRGUYRKSA-N 2 0 268.361 -0.935 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000563116119 327925669 /nfs/dbraw/zinc/92/56/69/327925669.db2.gz ZIUDNWASYXTLMU-UWVGGRQHSA-N 2 0 279.344 -0.795 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000563096544 327923262 /nfs/dbraw/zinc/92/32/62/327923262.db2.gz RFDPYTSEWAQAJU-GFCCVEGCSA-N 2 0 254.378 -0.603 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)NCC[C@@H]1CC[NH2+]C1 ZINC000563100219 327924300 /nfs/dbraw/zinc/92/43/00/327924300.db2.gz XBOYOOSXFSLYHQ-RYUDHWBXSA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@@H]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)C[C@@H]1C[NH3+] ZINC000563116863 327926021 /nfs/dbraw/zinc/92/60/21/327926021.db2.gz OCGSPMKKASSAMZ-GRYCIOLGSA-N 2 0 255.362 -0.192 20 0 CBADRP CC(C)(C[NH3+])NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000563141493 327928932 /nfs/dbraw/zinc/92/89/32/327928932.db2.gz HEJNMUBEAIITSM-QMMMGPOBSA-N 2 0 251.334 -0.046 20 0 CBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563167236 327944803 /nfs/dbraw/zinc/94/48/03/327944803.db2.gz ZXONEKZRDLSYFL-LOWVWBTDSA-N 2 0 253.346 -0.689 20 0 CBADRP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000563208895 327965112 /nfs/dbraw/zinc/96/51/12/327965112.db2.gz FGWYAZFDZRRFHI-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)O1 ZINC000571047850 327984877 /nfs/dbraw/zinc/98/48/77/327984877.db2.gz OXWAAEMVZKSDGT-QCNOEVLYSA-N 2 0 253.346 -0.297 20 0 CBADRP C[NH2+]C[C@](C)(O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000563271480 328005519 /nfs/dbraw/zinc/00/55/19/328005519.db2.gz TUFUIRZAVGHAOR-ZFWWWQNUSA-N 3 0 287.448 -0.019 20 0 CBADRP COCCN1C(=O)C[C@@H](NC[C@H]2CCC[N@H+](C)C2)C1=O ZINC000563348701 328056660 /nfs/dbraw/zinc/05/66/60/328056660.db2.gz MNGYZIPDCCVTEL-VXGBXAGGSA-N 2 0 283.372 -0.308 20 0 CBADRP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)NCC[NH+](C)C ZINC000563403867 328062932 /nfs/dbraw/zinc/06/29/32/328062932.db2.gz PMJSCKKTOXWHES-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP Cc1nccn1CCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563444001 328067152 /nfs/dbraw/zinc/06/71/52/328067152.db2.gz ZYLIKEGNSQOBAZ-CHWSQXEVSA-N 2 0 277.372 -0.175 20 0 CBADRP O=C(CC[NH+]1CCC2(CC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC000563535618 328071499 /nfs/dbraw/zinc/07/14/99/328071499.db2.gz JZYMJUHRUFPNNX-UHFFFAOYSA-N 3 0 280.416 -0.116 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)O1 ZINC000563534979 328072312 /nfs/dbraw/zinc/07/23/12/328072312.db2.gz VVBFUDSKHAWEFA-KQSJRHEJSA-N 2 0 253.346 -0.312 20 0 CBADRP CC[NH+]1CCC(CNC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000563561312 328073598 /nfs/dbraw/zinc/07/35/98/328073598.db2.gz BPLDMOCQOHNFIJ-UHFFFAOYSA-N 2 0 297.447 -0.077 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563595422 328076067 /nfs/dbraw/zinc/07/60/67/328076067.db2.gz HNAWFGVACPCDHM-RYUDHWBXSA-N 2 0 297.403 -0.671 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000563596638 328076203 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C[N@@H+](CC(=O)N1CC[NH2+]CC1)CC1CC[NH2+]CC1 ZINC000571208842 328093267 /nfs/dbraw/zinc/09/32/67/328093267.db2.gz WGEOZYJOSGFBSX-UHFFFAOYSA-N 2 0 254.378 -0.650 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCCCN2CC[NH2+]CC2)CC[NH2+]1 ZINC000571282823 328097451 /nfs/dbraw/zinc/09/74/51/328097451.db2.gz YKQJKYBPGSBKFE-STQMWFEESA-N 2 0 268.405 -0.214 20 0 CBADRP COc1ccc([C@H](C[NH3+])Cn2nnnc2C[NH3+])cc1 ZINC000571319985 328104681 /nfs/dbraw/zinc/10/46/81/328104681.db2.gz AXJLIPNUHMHNLZ-SNVBAGLBSA-N 2 0 262.317 -0.117 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000571626416 328143041 /nfs/dbraw/zinc/14/30/41/328143041.db2.gz VUCFMVWXHZBAMP-QWHCGFSZSA-N 2 0 281.404 -0.620 20 0 CBADRP CO[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1(C)C ZINC000583019786 329298023 /nfs/dbraw/zinc/29/80/23/329298023.db2.gz MMDXIUUPZKXXGZ-HZSPNIEDSA-N 2 0 285.432 -0.002 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000583933762 326800995 /nfs/dbraw/zinc/80/09/95/326800995.db2.gz UECDXIPAAFQGSX-LBPRGKRZSA-N 2 0 292.387 -0.241 20 0 CBADRP C[NH2+][C@H](C(=O)N1C[C@H]([NH3+])[C@@H](C)C1)c1cnn(C)c1 ZINC000583993426 326834101 /nfs/dbraw/zinc/83/41/01/326834101.db2.gz BDYUCPQNIGJAQS-LSJOCFKGSA-N 2 0 251.334 -0.514 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1(n2cccn2)CC[NH2+]CC1 ZINC000584054096 326909028 /nfs/dbraw/zinc/90/90/28/326909028.db2.gz FPXWNYLQQPECCT-GDNZZTSVSA-N 2 0 275.356 -0.704 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000557248953 326998496 /nfs/dbraw/zinc/99/84/96/326998496.db2.gz YHCWNFRQMJGFOZ-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000557279066 327000265 /nfs/dbraw/zinc/00/02/65/327000265.db2.gz JUHRKSVGIYYWJA-JTQLQIEISA-N 2 0 280.372 -0.793 20 0 CBADRP CC(=O)NCCN(C)CC(C)C[N@H+](C)CCNC(C)=O ZINC000565772082 327008631 /nfs/dbraw/zinc/00/86/31/327008631.db2.gz CUTYKSZPCZWPAG-UHFFFAOYSA-N 2 0 286.420 -0.242 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H](CO)CC(C)(C)C)CC1 ZINC000576755617 327039466 /nfs/dbraw/zinc/03/94/66/327039466.db2.gz SOVQURSQEQONAT-ZIAGYGMSSA-N 2 0 287.448 -0.019 20 0 CBADRP O=C(NCC[N@@H+]1CCCOCC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000576941065 327053234 /nfs/dbraw/zinc/05/32/34/327053234.db2.gz TWGXWLBYLWCJQX-OCCSQVGLSA-N 2 0 267.373 -0.176 20 0 CBADRP COC[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000558070343 327055982 /nfs/dbraw/zinc/05/59/82/327055982.db2.gz SXCZFGPHCPDZLF-AWEZNQCLSA-N 2 0 294.399 -0.070 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C1 ZINC000584226633 327068683 /nfs/dbraw/zinc/06/86/83/327068683.db2.gz FZKWUENESLHTON-RNJXMRFFSA-N 2 0 269.267 -0.241 20 0 CBADRP Cn1ncc2c1C[C@@H](C(=O)N1CCN(C)C[C@H]1C[NH3+])CC2 ZINC000565891586 327080449 /nfs/dbraw/zinc/08/04/49/327080449.db2.gz SGCNNWVNDFHVPH-WCQYABFASA-N 2 0 291.399 -0.374 20 0 CBADRP C[C@@H]([NH3+])C1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000564450291 327098085 /nfs/dbraw/zinc/09/80/85/327098085.db2.gz HCMNKUSUZYQDEG-ZYHUDNBSSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000564450270 327098100 /nfs/dbraw/zinc/09/81/00/327098100.db2.gz HCMNKUSUZYQDEG-JQWIXIFHSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000569342911 327099153 /nfs/dbraw/zinc/09/91/53/327099153.db2.gz NLBVQMYUYGZIJK-GHMZBOCLSA-N 2 0 270.377 -0.430 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000569344473 327102519 /nfs/dbraw/zinc/10/25/19/327102519.db2.gz NKEJSYXJZBKSRJ-JHEVNIALSA-N 2 0 267.373 -0.038 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CCO)C[C@H]1C ZINC000584239861 327112272 /nfs/dbraw/zinc/11/22/72/327112272.db2.gz OQJCAMFIEIEHJY-OLZOCXBDSA-N 2 0 259.394 -0.703 20 0 CBADRP C[C@H](NCCC(=O)N1CCN(C)CC1)c1ncn(C)n1 ZINC000558742999 327118764 /nfs/dbraw/zinc/11/87/64/327118764.db2.gz RJQHEQBTGUMMAB-NSHDSACASA-N 2 0 280.376 -0.370 20 0 CBADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000566087937 327131245 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C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000569456453 327179745 /nfs/dbraw/zinc/17/97/45/327179745.db2.gz ZJAXLECODBMGNK-WCQYABFASA-N 2 0 266.389 -0.367 20 0 CBADRP CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1(C[NH3+])CCC1 ZINC000569457910 327180482 /nfs/dbraw/zinc/18/04/82/327180482.db2.gz ABJSBMCSTGWONC-LLVKDONJSA-N 2 0 282.388 -0.416 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000569481230 327183949 /nfs/dbraw/zinc/18/39/49/327183949.db2.gz ARBQNJXUFJQDDZ-TUAOUCFPSA-N 2 0 282.388 -0.560 20 0 CBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@@H](C)C[NH3+])CC1 ZINC000569481232 327184042 /nfs/dbraw/zinc/18/40/42/327184042.db2.gz ARQMSACCSOIBMJ-NSHDSACASA-N 2 0 285.388 -0.028 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C[C@@H]21 ZINC000566206488 327195101 /nfs/dbraw/zinc/19/51/01/327195101.db2.gz BZJNEURIMFURTA-XQHKEYJVSA-N 2 0 294.399 -0.560 20 0 CBADRP [NH3+]CC[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000566212315 327196745 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C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)COC1CC[NH2+]CC1 ZINC000584293026 327223989 /nfs/dbraw/zinc/22/39/89/327223989.db2.gz SZLPDMDGDGPPSK-WDEREUQCSA-N 2 0 255.362 -0.036 20 0 CBADRP O=C(CCN1CCC2(CC[NH2+]2)CC1)N1CC[NH2+]CC1 ZINC000566244891 327257790 /nfs/dbraw/zinc/25/77/90/327257790.db2.gz LNFXROIBYHOMJT-UHFFFAOYSA-N 2 0 266.389 -0.364 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000566248442 327260143 /nfs/dbraw/zinc/26/01/43/327260143.db2.gz CWPMEHBRLCNPOA-VXGBXAGGSA-N 2 0 280.372 -0.793 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000566248434 327260168 /nfs/dbraw/zinc/26/01/68/327260168.db2.gz CWPMEHBRLCNPOA-NEPJUHHUSA-N 2 0 280.372 -0.793 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000566251260 327262234 /nfs/dbraw/zinc/26/22/34/327262234.db2.gz NUEMUKZDUDNMGE-APPZFPTMSA-N 2 0 298.309 -0.518 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000573962484 327275625 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NS(=O)(=O)[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000564988337 327340008 /nfs/dbraw/zinc/34/00/08/327340008.db2.gz DKLAZNUUMLDBMU-NSHDSACASA-N 2 0 261.391 -0.261 20 0 CBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000574564607 327349177 /nfs/dbraw/zinc/34/91/77/327349177.db2.gz HWVRXCUBLWQSCN-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000574574538 327350973 /nfs/dbraw/zinc/35/09/73/327350973.db2.gz GGWBHUQXKQZITG-SUNKGSAMSA-N 2 0 280.372 -0.806 20 0 CBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000564996346 327351466 /nfs/dbraw/zinc/35/14/66/327351466.db2.gz SCAABZLDWJBCRG-AGIUHOORSA-N 2 0 268.405 -0.134 20 0 CBADRP Cc1ncc2c(n1)CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000574637769 327358633 /nfs/dbraw/zinc/35/86/33/327358633.db2.gz AVVZSJZALTUUFO-UHFFFAOYSA-N 2 0 289.383 -0.035 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000575236433 327402899 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O=C(NC[C@H]1C[NH2+]CCO1)C1CC[NH+](C2CC2)CC1 ZINC000564841461 334523344 /nfs/dbraw/zinc/52/33/44/334523344.db2.gz KHLHAUFLCHKUFK-CYBMUJFWSA-N 2 0 267.373 -0.035 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NCCNc1cc[nH+]cc1 ZINC000564914938 334527887 /nfs/dbraw/zinc/52/78/87/334527887.db2.gz DVYXJIYSZJLJME-NSHDSACASA-N 2 0 252.318 -0.605 20 0 CBADRP C[C@@H](NC(=O)[C@@H](C)C[NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000564937810 334529399 /nfs/dbraw/zinc/52/93/99/334529399.db2.gz YYZZJTDFBWCFGR-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000564947845 334529838 /nfs/dbraw/zinc/52/98/38/334529838.db2.gz WOJDKDAKKBCZAG-NXEZZACHSA-N 2 0 263.345 -0.032 20 0 CBADRP CN(C)C(=O)CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000153004118 334538749 /nfs/dbraw/zinc/53/87/49/334538749.db2.gz CRHYOEOLDXLATC-UHFFFAOYSA-N 2 0 287.408 -0.791 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000565364875 334556647 /nfs/dbraw/zinc/55/66/47/334556647.db2.gz 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ZINC000566201063 334635389 /nfs/dbraw/zinc/63/53/89/334635389.db2.gz TZSLCOQACOUMQX-UHFFFAOYSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000566203158 334635446 /nfs/dbraw/zinc/63/54/46/334635446.db2.gz VJCOXTOAFUGRPL-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@](C[NH3+])(NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C1CC1 ZINC000566859359 334667231 /nfs/dbraw/zinc/66/72/31/334667231.db2.gz VHFGWSVADZQOKA-SMDDNHRTSA-N 2 0 292.387 -0.113 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567232251 334696224 /nfs/dbraw/zinc/69/62/24/334696224.db2.gz KHVPVBSDRUCFON-LBPRGKRZSA-N 2 0 267.373 -0.177 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000567350949 334707055 /nfs/dbraw/zinc/70/70/55/334707055.db2.gz JATIDELWFZWPHF-GHMZBOCLSA-N 2 0 270.377 -0.656 20 0 CBADRP O=C(NCC[C@H]1CC[NH2+]C1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000567383681 334711292 /nfs/dbraw/zinc/71/12/92/334711292.db2.gz UBVHACBHHOYACN-NEPJUHHUSA-N 2 0 292.387 -0.241 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000567838225 334766808 /nfs/dbraw/zinc/76/68/08/334766808.db2.gz UXMVXCPTDQTGHB-WDEREUQCSA-N 2 0 268.361 -0.935 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000567845315 334767470 /nfs/dbraw/zinc/76/74/70/334767470.db2.gz SQVSXAVMMHNKJD-HTQZYQBOSA-N 2 0 251.277 -0.536 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000567845317 334767503 /nfs/dbraw/zinc/76/75/03/334767503.db2.gz SQVSXAVMMHNKJD-SFYZADRCSA-N 2 0 251.277 -0.536 20 0 CBADRP COCC1(C(=O)N[C@@H](C[NH3+])C2CC2)CC[NH2+]CC1 ZINC000567901911 334773609 /nfs/dbraw/zinc/77/36/09/334773609.db2.gz XGRJSEFGUNYGJP-NSHDSACASA-N 2 0 255.362 -0.144 20 0 CBADRP O=C(N1CC[C@H](N2CC[NH2+]CC2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000567912064 334775193 /nfs/dbraw/zinc/77/51/93/334775193.db2.gz FPXZMTFBGZMWFH-DYEKYZERSA-N 2 0 264.373 -0.756 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCCC[NH2+]C1CC1 ZINC000567923070 334775963 /nfs/dbraw/zinc/77/59/63/334775963.db2.gz ZMMKZEWUYPKNPV-JTQLQIEISA-N 2 0 257.334 -0.475 20 0 CBADRP COCC[NH+]1CCC(NC(=O)C2(C)C[NH2+]C2)CC1 ZINC000568506066 334827677 /nfs/dbraw/zinc/82/76/77/334827677.db2.gz QTGFFPVNQQMFSO-UHFFFAOYSA-N 2 0 255.362 -0.177 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000568511997 334828038 /nfs/dbraw/zinc/82/80/38/334828038.db2.gz FVWICBWSWJWUHU-GARJFASQSA-N 2 0 271.361 -0.005 20 0 CBADRP CCC(CC)(C[NH3+])NC(=O)[C@H]([NH3+])CCC(=O)OC ZINC000568513260 334828232 /nfs/dbraw/zinc/82/82/32/334828232.db2.gz QQQAOSASSWHXEL-SECBINFHSA-N 2 0 259.350 -0.099 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000568609805 334832420 /nfs/dbraw/zinc/83/24/20/334832420.db2.gz QKRBVQKKOMXKOQ-DZGCQCFKSA-N 2 0 288.395 -0.107 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000572999144 334899563 /nfs/dbraw/zinc/89/95/63/334899563.db2.gz IAGZIZFIUSOTCG-NHCYSSNCSA-N 2 0 260.382 -0.276 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000573117174 334910045 /nfs/dbraw/zinc/91/00/45/334910045.db2.gz FSVOXHPQHOZYBB-UTUOFQBUSA-N 2 0 253.346 -0.425 20 0 CBADRP Cn1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])n1 ZINC000573206080 334917500 /nfs/dbraw/zinc/91/75/00/334917500.db2.gz RBVYUHSRQXWEPC-UHFFFAOYSA-N 2 0 275.378 -0.892 20 0 CBADRP C[NH+](C)CCN(C(=O)C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000576344525 335192176 /nfs/dbraw/zinc/19/21/76/335192176.db2.gz URHYJNPKSADHEU-GFCCVEGCSA-N 2 0 255.362 -0.083 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000576359428 335194471 /nfs/dbraw/zinc/19/44/71/335194471.db2.gz AZUGUBBFICACJQ-FRRDWIJNSA-N 2 0 294.399 -0.369 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000576574364 335220204 /nfs/dbraw/zinc/22/02/04/335220204.db2.gz CMNPOKWMINEIMY-LSDHHAIUSA-N 2 0 285.432 -0.047 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000576700478 335236561 /nfs/dbraw/zinc/23/65/61/335236561.db2.gz LDISCXIFFJZHIE-LBPRGKRZSA-N 2 0 283.372 -0.133 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000576826874 335252927 /nfs/dbraw/zinc/25/29/27/335252927.db2.gz UYVMHOFSEUMBHC-MDZLAQPJSA-N 2 0 282.388 -0.846 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000576863486 335257086 /nfs/dbraw/zinc/25/70/86/335257086.db2.gz KMQDETZXDARYAI-ZYHUDNBSSA-N 2 0 253.346 -0.282 20 0 CBADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000576941051 335267039 /nfs/dbraw/zinc/26/70/39/335267039.db2.gz SOLCGZFAYWOZRP-NEPJUHHUSA-N 2 0 252.362 -0.756 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000580556437 335279957 /nfs/dbraw/zinc/27/99/57/335279957.db2.gz QIOLKOVPQCRMIF-TXEJJXNPSA-N 2 0 254.378 -0.523 20 0 CBADRP CN(CCN1CCOCC1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000580557337 335280273 /nfs/dbraw/zinc/28/02/73/335280273.db2.gz BDRAYTXMOZFNIF-LBPRGKRZSA-N 2 0 271.361 -0.845 20 0 CBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000580583774 335291617 /nfs/dbraw/zinc/29/16/17/335291617.db2.gz YTNMZAPUTJPFDV-RYUDHWBXSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@H](C(=O)N1CCCCC1)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000577077297 335296386 /nfs/dbraw/zinc/29/63/86/335296386.db2.gz IPIVJUXAKFFKHJ-AGIUHOORSA-N 2 0 294.399 -0.369 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000580631763 335306963 /nfs/dbraw/zinc/30/69/63/335306963.db2.gz HLMNKOTUEFGFLH-LBPRGKRZSA-N 2 0 299.419 -0.552 20 0 CBADRP COC[C@H](O)C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000577172219 335314580 /nfs/dbraw/zinc/31/45/80/335314580.db2.gz MGMIMWBVHQNBSI-CQSZACIVSA-N 2 0 294.399 -0.070 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000577200723 335321754 /nfs/dbraw/zinc/32/17/54/335321754.db2.gz WDDYFTFHNCFWIR-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP CC(C)[NH2+]CCC(=O)NCCCN1CC[NH2+]CC1 ZINC000577371657 335343938 /nfs/dbraw/zinc/34/39/38/335343938.db2.gz HNVGPRDIUNNRFW-UHFFFAOYSA-N 2 0 256.394 -0.214 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)CN1CCC(=O)N1CC[NH2+]CC1 ZINC000577373820 335344423 /nfs/dbraw/zinc/34/44/23/335344423.db2.gz UBAOMHGKNYYXNF-NWDGAFQWSA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000577489237 335355222 /nfs/dbraw/zinc/35/52/22/335355222.db2.gz QVTAEKNCQORZAS-GARJFASQSA-N 3 0 257.382 -0.604 20 0 CBADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000577530750 335365832 /nfs/dbraw/zinc/36/58/32/335365832.db2.gz NVBZGQYHTLILFR-IJLUTSLNSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@@H](CNC(=O)[C@H](C)[NH2+]C1CC1)N1CC[NH+](C)CC1 ZINC000577726781 335392851 /nfs/dbraw/zinc/39/28/51/335392851.db2.gz GSKSZOBTWKECAO-RYUDHWBXSA-N 2 0 268.405 -0.121 20 0 CBADRP [NH3+]CC[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)C(F)(F)F ZINC000577728721 335393228 /nfs/dbraw/zinc/39/32/28/335393228.db2.gz PHZCCZZPKYGTOU-YUMQZZPRSA-N 2 0 269.267 -0.239 20 0 CBADRP C[N@H+](C[C@H](O)CN[C@@H]1C[C@@H](O)[C@@H]1n1cccn1)C1CC1 ZINC000577729839 335393281 /nfs/dbraw/zinc/39/32/81/335393281.db2.gz DBJOTZTYGULQAT-AAVRWANBSA-N 2 0 280.372 -0.398 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCC(O)(C[NH3+])CC1)[NH+](C)C ZINC000577728572 335393408 /nfs/dbraw/zinc/39/34/08/335393408.db2.gz KDYANOODRMLTGM-NSHDSACASA-N 2 0 257.378 -0.115 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000577866511 335414509 /nfs/dbraw/zinc/41/45/09/335414509.db2.gz SCONUDHTTGCLET-ZDUSSCGKSA-N 2 0 287.404 -0.081 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000578131346 335511528 /nfs/dbraw/zinc/51/15/28/335511528.db2.gz UUYNQZNIRJRDLP-MNOVXSKESA-N 2 0 268.361 -0.806 20 0 CBADRP O[C@@H](C[NH2+]CCCC[NH+]1CCOCC1)Cn1cccn1 ZINC000578349874 335617197 /nfs/dbraw/zinc/61/71/97/335617197.db2.gz SQDCCWSJXBJORM-AWEZNQCLSA-N 2 0 282.388 -0.054 20 0 CBADRP CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000578625084 335655332 /nfs/dbraw/zinc/65/53/32/335655332.db2.gz OVSDWZZLUURVFN-GFCCVEGCSA-N 2 0 284.404 -0.164 20 0 CBADRP C[NH2+][C@H](C(=O)N1C[C@H](C[NH3+])C[C@H]1C)c1cnn(C)c1 ZINC000578890078 335686240 /nfs/dbraw/zinc/68/62/40/335686240.db2.gz DUUGGZUUAZKNBA-SCVCMEIPSA-N 2 0 265.361 -0.124 20 0 CBADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000579252866 335728256 /nfs/dbraw/zinc/72/82/56/335728256.db2.gz GOEKERHVEMNNAA-YFCNSXCBSA-N 2 0 294.399 -0.336 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000579837486 335902249 /nfs/dbraw/zinc/90/22/49/335902249.db2.gz FNOWHRBIGLXMLE-UWVGGRQHSA-N 2 0 258.366 -0.752 20 0 CBADRP C[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[C@H](C)[NH3+] ZINC000581010364 335995760 /nfs/dbraw/zinc/99/57/60/335995760.db2.gz CNIHMLSSUZNHGB-OUAUKWLOSA-N 2 0 270.377 -0.717 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000581199333 336023547 /nfs/dbraw/zinc/02/35/47/336023547.db2.gz HKKXCRRWGFYFTD-LLVKDONJSA-N 2 0 282.388 -0.558 20 0 CBADRP CN1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000581241205 336029534 /nfs/dbraw/zinc/02/95/34/336029534.db2.gz NZNDKLWZFBQDKN-FRRDWIJNSA-N 2 0 283.420 -0.212 20 0 CBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)COC3C[NH2+]C3)[C@H]2C1 ZINC000581308961 336045048 /nfs/dbraw/zinc/04/50/48/336045048.db2.gz PFTOFZWBSBYIJN-JQWIXIFHSA-N 2 0 253.346 -0.473 20 0 CBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)COC3C[NH2+]C3)[C@@H]2C1 ZINC000581308960 336045130 /nfs/dbraw/zinc/04/51/30/336045130.db2.gz PFTOFZWBSBYIJN-CMPLNLGQSA-N 2 0 253.346 -0.473 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCNC[C@@H]1c1nccn1C ZINC000581370978 336063304 /nfs/dbraw/zinc/06/33/04/336063304.db2.gz JVJYXNPWQOYNLG-SDDRHHMPSA-N 2 0 277.372 -0.109 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000581490051 336088888 /nfs/dbraw/zinc/08/88/88/336088888.db2.gz UOOCGEZZERXBOI-NSHDSACASA-N 2 0 265.361 -0.185 20 0 CBADRP CCN1CCO[C@H](C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000581607201 336111574 /nfs/dbraw/zinc/11/15/74/336111574.db2.gz MPZYBEHQFXZSND-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP CS(=O)(=O)NCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000581608497 336111727 /nfs/dbraw/zinc/11/17/27/336111727.db2.gz OWBSSZHIMQGYAL-NWDGAFQWSA-N 2 0 275.418 -0.143 20 0 CBADRP CS(=O)(=O)NCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000581608499 336111739 /nfs/dbraw/zinc/11/17/39/336111739.db2.gz OWBSSZHIMQGYAL-VXGBXAGGSA-N 2 0 275.418 -0.143 20 0 CBADRP CN1CC[C@@H]([N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1=O ZINC000581608406 336111788 /nfs/dbraw/zinc/11/17/88/336111788.db2.gz CPDNKKAZLWVLGM-NWDGAFQWSA-N 2 0 267.373 -0.096 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000581716181 336136010 /nfs/dbraw/zinc/13/60/10/336136010.db2.gz QLPIIHATHHECPK-NEPJUHHUSA-N 3 0 271.409 -0.212 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000581883709 336159201 /nfs/dbraw/zinc/15/92/01/336159201.db2.gz VQMNSSKRGDJPBA-GRYCIOLGSA-N 2 0 292.387 -0.242 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000581883710 336159234 /nfs/dbraw/zinc/15/92/34/336159234.db2.gz VQMNSSKRGDJPBA-IJLUTSLNSA-N 2 0 292.387 -0.242 20 0 CBADRP C[C@@]1(C(=O)NCCN2CC[NH2+]CC2)CCCC[NH2+]1 ZINC000237495916 518181219 /nfs/dbraw/zinc/18/12/19/518181219.db2.gz YLUPTFZSTSGIRF-ZDUSSCGKSA-N 2 0 254.378 -0.460 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000564983392 518182671 /nfs/dbraw/zinc/18/26/71/518182671.db2.gz WYCLAQPBEATLJI-YNEHKIRRSA-N 2 0 296.415 -0.027 20 0 CBADRP O=C(N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000378202980 534765124 /nfs/dbraw/zinc/76/51/24/534765124.db2.gz PLNLXTDOQZRKAG-GXTWGEPZSA-N 2 0 285.363 -0.131 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000376650276 528021639 /nfs/dbraw/zinc/02/16/39/528021639.db2.gz FGZUWXUUKMYBHF-YNEHKIRRSA-N 2 0 269.389 -0.197 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000367160640 529037782 /nfs/dbraw/zinc/03/77/82/529037782.db2.gz RRHWZOZKKNYIRY-AWEZNQCLSA-N 2 0 280.416 -0.071 20 0 CBADRP CC[N@@H+]1CCC[C@@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000354678680 529050708 /nfs/dbraw/zinc/05/07/08/529050708.db2.gz PYEHDIAFMDQLPJ-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2C[NH2+]C2)CC1=O ZINC000378189421 529077137 /nfs/dbraw/zinc/07/71/37/529077137.db2.gz YATMAJNLNVLDPX-DGCLKSJQSA-N 2 0 294.399 -0.593 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC[C@]2(COC)CCC[NH2+]2)CC1 ZINC000357266499 535660759 /nfs/dbraw/zinc/66/07/59/535660759.db2.gz IMZJNVARSXQZEE-HNNXBMFYSA-N 2 0 298.431 -0.491 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000128975405 582122765 /nfs/dbraw/zinc/12/27/65/582122765.db2.gz VUEVZLIZBRUTGQ-NWDGAFQWSA-N 2 0 267.373 -0.035 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000300072191 582130306 /nfs/dbraw/zinc/13/03/06/582130306.db2.gz KSPAEKJXLRDOKD-SDDRHHMPSA-N 2 0 271.361 -0.670 20 0 CBADRP C[C@@H](C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+](C)C ZINC000750017219 582290695 /nfs/dbraw/zinc/29/06/95/582290695.db2.gz KEBYRPAEYRPZQV-SRVKXCTJSA-N 2 0 255.362 -0.084 20 0 CBADRP O=C1CC[C@H]([NH+]2CCC(C[NH+]3CCOCC3)CC2)C(=O)N1 ZINC000765960553 582329104 /nfs/dbraw/zinc/32/91/04/582329104.db2.gz ATRVWXPJZCGEKQ-ZDUSSCGKSA-N 2 0 295.383 -0.164 20 0 CBADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000767180525 582331864 /nfs/dbraw/zinc/33/18/64/582331864.db2.gz WYEQQOGDUYADDD-LBPRGKRZSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@@H](C(=O)NC[C@H]1CCCN1C(=O)[C@H](C)[NH+](C)C)[NH+](C)C ZINC000772820330 582345597 /nfs/dbraw/zinc/34/55/97/582345597.db2.gz XHPQTCQWNOLXDK-RWMBFGLXSA-N 2 0 298.431 -0.006 20 0 CBADRP CNC(=O)[C@@]1(C)CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000797525454 582413731 /nfs/dbraw/zinc/41/37/31/582413731.db2.gz MXWHMTAICZMQMM-JSGCOSHPSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C[C@H](O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000800377150 582422568 /nfs/dbraw/zinc/42/25/68/582422568.db2.gz MYKVLANHVYWGJX-QLFBSQMISA-N 2 0 285.432 -0.170 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCNC(=O)CC1 ZINC000815439631 582465596 /nfs/dbraw/zinc/46/55/96/582465596.db2.gz YTOWIKKLDMJJHB-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000817988581 582497601 /nfs/dbraw/zinc/49/76/01/582497601.db2.gz OQZWYFSGEPVXAU-GFCCVEGCSA-N 2 0 284.404 -0.347 20 0 CBADRP CCc1cc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)[nH]n1 ZINC000819054221 582525485 /nfs/dbraw/zinc/52/54/85/582525485.db2.gz ORFIMUTVMRMCSV-CQSZACIVSA-N 2 0 281.404 -0.330 20 0 CBADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)CC1 ZINC000819054229 582525592 /nfs/dbraw/zinc/52/55/92/582525592.db2.gz OVMVBECNBKFJTN-GFCCVEGCSA-N 2 0 289.445 -0.211 20 0 CBADRP C[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000821348945 582600067 /nfs/dbraw/zinc/60/00/67/582600067.db2.gz JDXVJDGQDMOZMS-UHFFFAOYSA-N 2 0 269.389 -0.003 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000822483748 582636611 /nfs/dbraw/zinc/63/66/11/582636611.db2.gz RRHAHGFGUAEYCT-AWEZNQCLSA-N 2 0 269.389 -0.003 20 0 CBADRP O=C(C[NH+]1CCCC1)NCCCNC(=O)C[NH+]1CCCC1 ZINC000822881215 582651474 /nfs/dbraw/zinc/65/14/74/582651474.db2.gz CFHQIKDMKTWJJU-UHFFFAOYSA-N 2 0 296.415 -0.200 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2C[C@@H](O)C2)C[C@H]1C[NH+](C)C ZINC000825148053 582726757 /nfs/dbraw/zinc/72/67/57/582726757.db2.gz UNGPDYXALUCNHF-SYQHCUMBSA-N 2 0 283.416 -0.045 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000827529634 582820979 /nfs/dbraw/zinc/82/09/79/582820979.db2.gz SSFPSLXWHZQYQK-SECBINFHSA-N 2 0 263.345 -0.121 20 0 CBADRP C[NH+]1CCC(OCC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000827536325 582821366 /nfs/dbraw/zinc/82/13/66/582821366.db2.gz STHUZXMMTXYHDP-GFCCVEGCSA-N 2 0 285.388 -0.720 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@]3(F)CC[NH2+]C3)CC2)C1 ZINC000829716118 582896033 /nfs/dbraw/zinc/89/60/33/582896033.db2.gz VQESVUOEVMMDIB-ZFWWWQNUSA-N 2 0 298.406 -0.074 20 0 CBADRP C[C@@H](CNC(=O)C[C@@H]([NH3+])C1CC1)N1CC[NH+](C)CC1 ZINC000829918601 582906521 /nfs/dbraw/zinc/90/65/21/582906521.db2.gz TUIZCNXIZCGXRH-WCQYABFASA-N 2 0 268.405 -0.134 20 0 CBADRP [NH3+]CCCCCCNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000831197788 582966524 /nfs/dbraw/zinc/96/65/24/582966524.db2.gz UKIKEBIMBFHMSE-NSHDSACASA-N 2 0 258.366 -0.207 20 0 CBADRP [NH3+][C@@H](CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000831682541 582993666 /nfs/dbraw/zinc/99/36/66/582993666.db2.gz ABVCMIZXJHEXME-OLZOCXBDSA-N 2 0 266.389 -0.380 20 0 CBADRP CCO[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)C[NH+](C)C ZINC000831703041 582995850 /nfs/dbraw/zinc/99/58/50/582995850.db2.gz PPXUQLSVHQRYLN-BZPMIXESSA-N 2 0 287.404 -0.476 20 0 CBADRP CCO[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)C[NH+](C)C ZINC000831703044 582995875 /nfs/dbraw/zinc/99/58/75/582995875.db2.gz PPXUQLSVHQRYLN-SCRDCRAPSA-N 2 0 287.404 -0.476 20 0 CBADRP CCO[C@@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C[NH+](C)C ZINC000831737118 582999802 /nfs/dbraw/zinc/99/98/02/582999802.db2.gz CPYCBASAEAFCAE-KBPBESRZSA-N 2 0 298.431 -0.541 20 0 CBADRP C[C@H]1CCC[N@@H+]1CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000831971511 583009188 /nfs/dbraw/zinc/00/91/88/583009188.db2.gz ZRMNJJDTCVFGQO-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]CCOc1cccc(NC(=O)[C@@H]2C[NH2+]CCO2)c1 ZINC000832606972 583032082 /nfs/dbraw/zinc/03/20/82/583032082.db2.gz QVIQZCVAZPLSEP-LBPRGKRZSA-N 2 0 265.313 -0.049 20 0 CBADRP C[NH2+][C@@H](C(=O)N1CC[NH2+][C@H](C)C1)c1cnn(C)c1 ZINC000832698580 583036846 /nfs/dbraw/zinc/03/68/46/583036846.db2.gz SEOXIPGCHZNWHO-MWLCHTKSSA-N 2 0 251.334 -0.499 20 0 CBADRP [NH3+]CCOCC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000834765047 583135732 /nfs/dbraw/zinc/13/57/32/583135732.db2.gz PZCUEPWHDGFQOQ-ZDUSSCGKSA-N 2 0 263.341 -0.035 20 0 CBADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)c1[nH]nc2c1C[NH2+]CC2 ZINC000834845734 583137279 /nfs/dbraw/zinc/13/72/79/583137279.db2.gz GFAFYZZJHMVSJV-VIFPVBQESA-N 2 0 285.298 -0.218 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000834860945 583138068 /nfs/dbraw/zinc/13/80/68/583138068.db2.gz GGSAWCNUKYFPQD-BDAKNGLRSA-N 2 0 263.345 -0.087 20 0 CBADRP COC(=O)[C@H]1CN(c2cc(C)[nH+]c(N)n2)CC[N@H+](C)C1 ZINC000840359757 583164292 /nfs/dbraw/zinc/16/42/92/583164292.db2.gz JQXLZDWZPZIRPQ-SNVBAGLBSA-N 2 0 279.344 -0.092 20 0 CBADRP O=C(NCC[NH2+]C1CC1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000841790194 583174100 /nfs/dbraw/zinc/17/41/00/583174100.db2.gz AJDYWQUGAHQDSK-OLZOCXBDSA-N 2 0 282.388 -0.099 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH2+]1 ZINC000841790808 583174287 /nfs/dbraw/zinc/17/42/87/583174287.db2.gz KLELBMHZCDBKRP-FRRDWIJNSA-N 2 0 282.388 -0.147 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH2+]1 ZINC000841790806 583174330 /nfs/dbraw/zinc/17/43/30/583174330.db2.gz KLELBMHZCDBKRP-AGIUHOORSA-N 2 0 282.388 -0.147 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000841790824 583174405 /nfs/dbraw/zinc/17/44/05/583174405.db2.gz KSGOXHPYIKRGJG-XQQFMLRXSA-N 2 0 282.388 -0.099 20 0 CBADRP COC[C@@]1(CNC(=O)[C@@]2(F)CC[NH2+]C2)CCC[NH2+]1 ZINC000841851430 583175372 /nfs/dbraw/zinc/17/53/72/583175372.db2.gz QBONKVVVIUSAIA-NWDGAFQWSA-N 2 0 259.325 -0.427 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)[NH+]1CCCCC1 ZINC000842016196 583177988 /nfs/dbraw/zinc/17/79/88/583177988.db2.gz RWDRVORWWIFUSX-GFCCVEGCSA-N 2 0 296.415 -0.025 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000842015772 583178055 /nfs/dbraw/zinc/17/80/55/583178055.db2.gz NGELPEYJIYWZRM-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000842016749 583178209 /nfs/dbraw/zinc/17/82/09/583178209.db2.gz XPECSPSJYBVTRX-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[NH+]1CCCCC1 ZINC000842015245 583178252 /nfs/dbraw/zinc/17/82/52/583178252.db2.gz JFVMYUZPNLQUPS-AAEUAGOBSA-N 2 0 296.415 -0.170 20 0 CBADRP Cc1ccc([C@H](O)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)o1 ZINC000843086363 583201125 /nfs/dbraw/zinc/20/11/25/583201125.db2.gz IKPVWIIYXTWFRN-UONOGXRCSA-N 2 0 297.399 -0.181 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)NCCCN1CC[NH2+]CC1 ZINC000843285598 583206730 /nfs/dbraw/zinc/20/67/30/583206730.db2.gz KHTAOXSVYVNZIQ-CYBMUJFWSA-N 2 0 284.404 -0.834 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843337898 583210075 /nfs/dbraw/zinc/21/00/75/583210075.db2.gz NKEGYFVRDRQCGM-CYBMUJFWSA-N 2 0 284.404 -0.881 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000843337852 583210084 /nfs/dbraw/zinc/21/00/84/583210084.db2.gz CUJDSWJLTRZLTF-GFCCVEGCSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000843347152 583211384 /nfs/dbraw/zinc/21/13/84/583211384.db2.gz UDKBMNLEMPNVGU-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)CCO1 ZINC000843357988 583212620 /nfs/dbraw/zinc/21/26/20/583212620.db2.gz VIKHOWNEVFDRAM-QJPTWQEYSA-N 2 0 271.361 -0.670 20 0 CBADRP O=C1OCC[C@H]1N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000843369819 583212978 /nfs/dbraw/zinc/21/29/78/583212978.db2.gz VPVLZHUBOKYPBX-GHMZBOCLSA-N 2 0 267.329 -0.802 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000843455646 583221088 /nfs/dbraw/zinc/22/10/88/583221088.db2.gz SBQDWCSLBJCNHM-TUAOUCFPSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000843472308 583224554 /nfs/dbraw/zinc/22/45/54/583224554.db2.gz AMDCBOBEMHHTAD-WCQYABFASA-N 2 0 255.362 -0.048 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000843475887 583225346 /nfs/dbraw/zinc/22/53/46/583225346.db2.gz BCEUJPUGJGRBFE-JOYOIKCWSA-N 2 0 273.308 -0.949 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843480468 583226520 /nfs/dbraw/zinc/22/65/20/583226520.db2.gz XIMGAGZJSSLSJA-NWDGAFQWSA-N 2 0 299.371 -0.882 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000843484693 583226744 /nfs/dbraw/zinc/22/67/44/583226744.db2.gz QVDAYQJDNMAMNH-UWVGGRQHSA-N 2 0 277.315 -0.132 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H]1C[NH2+]CCCO1 ZINC000843486538 583227385 /nfs/dbraw/zinc/22/73/85/583227385.db2.gz UMLLYDUXULJEPK-NEPJUHHUSA-N 2 0 271.361 -0.750 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000843489246 583227909 /nfs/dbraw/zinc/22/79/09/583227909.db2.gz KAPNRWBNPXWONV-UHFFFAOYSA-N 2 0 295.387 -0.294 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000843499226 583230503 /nfs/dbraw/zinc/23/05/03/583230503.db2.gz XLRMZKZUXXMDRI-NEPJUHHUSA-N 2 0 271.361 -0.669 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844174688 583256815 /nfs/dbraw/zinc/25/68/15/583256815.db2.gz AMTNIZCJSMDNGK-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844174878 583257243 /nfs/dbraw/zinc/25/72/43/583257243.db2.gz HBLKCPZDLDESBX-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[NH2+]CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000844181326 583258364 /nfs/dbraw/zinc/25/83/64/583258364.db2.gz COLUZHLCHLDNLP-LLVKDONJSA-N 2 0 270.377 -0.701 20 0 CBADRP CC[NH2+]CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000844185150 583259480 /nfs/dbraw/zinc/25/94/80/583259480.db2.gz GYLAANSUNGKNAV-GFCCVEGCSA-N 2 0 268.405 -0.119 20 0 CBADRP COC1CC[NH+](CCNC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844189412 583259827 /nfs/dbraw/zinc/25/98/27/583259827.db2.gz MTXCFXJUAXEFBH-CQSZACIVSA-N 2 0 299.415 -0.018 20 0 CBADRP [NH3+]CCN(CCO)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000846200615 583355518 /nfs/dbraw/zinc/35/55/18/583355518.db2.gz GIUWWBGLMHDMGI-UHFFFAOYSA-N 2 0 284.335 -0.253 20 0 CBADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846679051 583383232 /nfs/dbraw/zinc/38/32/32/583383232.db2.gz RTDQSFWYVCTIAF-QXEWZRGKSA-N 2 0 275.299 -0.664 20 0 CBADRP CCO[C@@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000846694084 583383863 /nfs/dbraw/zinc/38/38/63/583383863.db2.gz MHKQXKZCDRWUMK-FRRDWIJNSA-N 2 0 285.388 -0.423 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000846687564 583384011 /nfs/dbraw/zinc/38/40/11/583384011.db2.gz QEZXEJYJNFAYNV-CQSZACIVSA-N 2 0 299.415 -0.018 20 0 CBADRP [NH3+]CCN(CCO)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848605194 583451789 /nfs/dbraw/zinc/45/17/89/583451789.db2.gz KIXVFYYLJCYBGV-OLZOCXBDSA-N 2 0 284.404 -0.034 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848614797 583452764 /nfs/dbraw/zinc/45/27/64/583452764.db2.gz XPQLARDNMVUCMF-SRVKXCTJSA-N 2 0 282.388 -0.417 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[NH+](C)CCN1C ZINC000849008013 583467287 /nfs/dbraw/zinc/46/72/87/583467287.db2.gz LRJZGMOZWLQRMF-KGLIPLIRSA-N 3 0 296.463 -0.170 20 0 CBADRP C[N@@H+]1CCN(CCNC(=[NH2+])N2CCOCC2)CC1(C)C ZINC000849026661 583469172 /nfs/dbraw/zinc/46/91/72/583469172.db2.gz MPZDUXJKXHMHKM-UHFFFAOYSA-N 2 0 283.420 -0.131 20 0 CBADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CC[NH2+]CC1 ZINC000849133283 583472307 /nfs/dbraw/zinc/47/23/07/583472307.db2.gz MGOAQHJRCUBDJV-LLVKDONJSA-N 2 0 250.350 -0.392 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000851692221 583522454 /nfs/dbraw/zinc/52/24/54/583522454.db2.gz XWCNTEHIOCGBBF-UPJWGTAASA-N 2 0 294.399 -0.593 20 0 CBADRP NC(=O)[C@](O)(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000851731980 583523962 /nfs/dbraw/zinc/52/39/62/583523962.db2.gz FUYCDUVLGOWEDC-ZOWXZIJZSA-N 2 0 275.352 -0.489 20 0 CBADRP O[C@@H](CN1CCC([N@@H+]2CC[C@H](O)C2)CC1)C[NH+]1CCCC1 ZINC000852710297 583550820 /nfs/dbraw/zinc/55/08/20/583550820.db2.gz NGVVGWNXYXCUIH-JKSUJKDBSA-N 2 0 297.443 -0.026 20 0 CBADRP C[NH2+]C[C@](C)(O)CN1CCC(NC(=O)OC)CC1 ZINC000852761347 583552198 /nfs/dbraw/zinc/55/21/98/583552198.db2.gz KZZXJGPMJCMACL-LBPRGKRZSA-N 2 0 259.350 -0.223 20 0 CBADRP CCCN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@H]1CC[NH2+]C1 ZINC000852796745 583552943 /nfs/dbraw/zinc/55/29/43/583552943.db2.gz WZEDJQZTMXIAMJ-VHSXEESVSA-N 2 0 254.334 -0.310 20 0 CBADRP C[C@@H]1CCCN(C(=O)C2=NO[C@@H](C[NH3+])C2)[C@H]1C[NH3+] ZINC000852798183 583553292 /nfs/dbraw/zinc/55/32/92/583553292.db2.gz HIJOMHOUSOWYEQ-KKZNHRDASA-N 2 0 254.334 -0.324 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000852798094 583553306 /nfs/dbraw/zinc/55/33/06/583553306.db2.gz GASHCVJXDJGDIC-UPJWGTAASA-N 2 0 285.388 -0.282 20 0 CBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852799793 583553311 /nfs/dbraw/zinc/55/33/11/583553311.db2.gz XDCLXXSIFQRIGK-NXEZZACHSA-N 2 0 256.350 -0.078 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852798964 583553362 /nfs/dbraw/zinc/55/33/62/583553362.db2.gz PNKMXYXTXUOHEW-GUBZILKMSA-N 2 0 254.334 -0.324 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])=NO1 ZINC000852797720 583553373 /nfs/dbraw/zinc/55/33/73/583553373.db2.gz ACDGPZJOQRMDGW-GUBZILKMSA-N 2 0 254.334 -0.276 20 0 CBADRP CC[N@H+](CCNC(=O)c1cn(CC[NH3+])nn1)C(C)C ZINC000852801336 583553549 /nfs/dbraw/zinc/55/35/49/583553549.db2.gz KCYFJNCUKATSGA-UHFFFAOYSA-N 2 0 268.365 -0.303 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC000852824861 583556519 /nfs/dbraw/zinc/55/65/19/583556519.db2.gz GVBIUIDDYYQPNQ-QWRGUYRKSA-N 2 0 255.362 -0.146 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852853955 583561261 /nfs/dbraw/zinc/56/12/61/583561261.db2.gz AHMOVTNCUPRPOI-UWVGGRQHSA-N 2 0 254.334 -0.310 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852855267 583561591 /nfs/dbraw/zinc/56/15/91/583561591.db2.gz XWVBWZHVNCTUOH-VIFPVBQESA-N 2 0 256.350 -0.206 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)C1CC1 ZINC000852860374 583562455 /nfs/dbraw/zinc/56/24/55/583562455.db2.gz DBSFIXQWGFJVBR-MWLCHTKSSA-N 2 0 254.334 -0.454 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)=NO1 ZINC000852860810 583562522 /nfs/dbraw/zinc/56/25/22/583562522.db2.gz VIPZMWOWCWOIDQ-MWLCHTKSSA-N 2 0 266.345 -0.310 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)=NO1 ZINC000852860607 583562640 /nfs/dbraw/zinc/56/26/40/583562640.db2.gz SRGWYTPRRDLZSY-UMNHJUIQSA-N 2 0 266.345 -0.167 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)=NO1 ZINC000852864764 583563689 /nfs/dbraw/zinc/56/36/89/583563689.db2.gz HLYGIPJBVFJHOB-MNOVXSKESA-N 2 0 266.345 -0.213 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852864692 583563735 /nfs/dbraw/zinc/56/37/35/583563735.db2.gz FCQABKSCWWKLNR-NXEZZACHSA-N 2 0 256.350 -0.064 20 0 CBADRP CN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000852865416 583563986 /nfs/dbraw/zinc/56/39/86/583563986.db2.gz BVAVKELATLHRIE-MNOVXSKESA-N 2 0 266.345 -0.215 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852870546 583564880 /nfs/dbraw/zinc/56/48/80/583564880.db2.gz VQSKBMJETDQGPO-WDEREUQCSA-N 2 0 268.361 -0.110 20 0 CBADRP COC1CC[NH+](CCNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852870245 583564931 /nfs/dbraw/zinc/56/49/31/583564931.db2.gz QLVMZRPTFTVZAD-NSHDSACASA-N 2 0 284.360 -0.683 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852872239 583565136 /nfs/dbraw/zinc/56/51/36/583565136.db2.gz JPNHLMQVCPYKNE-MNOVXSKESA-N 2 0 286.376 -0.437 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)=NO1 ZINC000852873918 583565538 /nfs/dbraw/zinc/56/55/38/583565538.db2.gz DMKMFWXXYYWDDS-MWLCHTKSSA-N 2 0 289.339 -0.060 20 0 CBADRP C[C@]1(CNC(=O)C2=NO[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000852875625 583565731 /nfs/dbraw/zinc/56/57/31/583565731.db2.gz LPUGNCOYTGCYDU-SKDRFNHKSA-N 2 0 254.334 -0.404 20 0 CBADRP CN(C(=O)C1=NO[C@@H](C[NH3+])C1)C1CC[NH+](C)CC1 ZINC000852875131 583565754 /nfs/dbraw/zinc/56/57/54/583565754.db2.gz FHRXWTCBXUOGLG-SNVBAGLBSA-N 2 0 254.334 -0.357 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852875476 583565760 /nfs/dbraw/zinc/56/57/60/583565760.db2.gz XLGPZJWTTDJFRQ-VHSXEESVSA-N 2 0 254.334 -0.310 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)=NO1 ZINC000852873987 583565782 /nfs/dbraw/zinc/56/57/82/583565782.db2.gz IMFORMHOWXMBOH-VHSXEESVSA-N 2 0 252.318 -0.557 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)=NO1 ZINC000852873989 583565891 /nfs/dbraw/zinc/56/58/91/583565891.db2.gz IMFORMHOWXMBOH-ZJUUUORDSA-N 2 0 252.318 -0.557 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)=NO1 ZINC000852880600 583566745 /nfs/dbraw/zinc/56/67/45/583566745.db2.gz NVIJTQZBYGPQCJ-NEPJUHHUSA-N 2 0 280.372 -0.062 20 0 CBADRP [NH3+]CC[C@@H]1CCCCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852881688 583566997 /nfs/dbraw/zinc/56/69/97/583566997.db2.gz ZOOQMARDQBJXJB-UWVGGRQHSA-N 2 0 254.334 -0.180 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CC23CC[NH2+]CC3)=NO1 ZINC000852881724 583567020 /nfs/dbraw/zinc/56/70/20/583567020.db2.gz OLXMTQQSJFDKHG-WPRPVWTQSA-N 2 0 252.318 -0.652 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N[C@H]2CC23CC[NH2+]CC3)=NO1 ZINC000852881722 583567087 /nfs/dbraw/zinc/56/70/87/583567087.db2.gz OLXMTQQSJFDKHG-SCZZXKLOSA-N 2 0 252.318 -0.652 20 0 CBADRP [NH3+]CC[C@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)C(F)F ZINC000852882016 583567105 /nfs/dbraw/zinc/56/71/05/583567105.db2.gz VRWMIJACRLZGFD-RITPCOANSA-N 2 0 250.249 -0.811 20 0 CBADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852882248 583567499 /nfs/dbraw/zinc/56/74/99/583567499.db2.gz AZIKXVGIVOECTI-WCBMZHEXSA-N 2 0 254.334 -0.406 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH+]3CCC2CC3)=NO1 ZINC000852884809 583568436 /nfs/dbraw/zinc/56/84/36/583568436.db2.gz KXVXUZPDFPGNDP-JTQLQIEISA-N 2 0 252.318 -0.603 20 0 CBADRP C[C@@H]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)[C@H](C[NH3+])C1 ZINC000852912514 583573872 /nfs/dbraw/zinc/57/38/72/583573872.db2.gz SFAUPXQBNHCWEJ-KXUCPTDWSA-N 2 0 254.334 -0.324 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000852913674 583574090 /nfs/dbraw/zinc/57/40/90/583574090.db2.gz CJTHCXFOJAFWLS-KGLIPLIRSA-N 2 0 296.415 -0.739 20 0 CBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CCO1 ZINC000852924827 583575228 /nfs/dbraw/zinc/57/52/28/583575228.db2.gz UZSMXECLAWSIQD-NWDGAFQWSA-N 2 0 298.387 -0.341 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CCC1 ZINC000854352588 583599783 /nfs/dbraw/zinc/59/97/83/583599783.db2.gz GMFCVQOMVVINLS-ZDUSSCGKSA-N 2 0 280.416 -0.023 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000857107426 583664974 /nfs/dbraw/zinc/66/49/74/583664974.db2.gz VIHWWFNUNBQDEO-RYUDHWBXSA-N 2 0 269.393 -0.587 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000857107004 583664993 /nfs/dbraw/zinc/66/49/93/583664993.db2.gz HVCJZNILFZIBAK-NWDGAFQWSA-N 2 0 299.419 -0.247 20 0 CBADRP Nc1nc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)nc(N)[nH+]1 ZINC000858374637 583693300 /nfs/dbraw/zinc/69/33/00/583693300.db2.gz RFFWTAAPDJWTTI-SFYZADRCSA-N 2 0 265.321 -0.689 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000861573129 583771353 /nfs/dbraw/zinc/77/13/53/583771353.db2.gz BENFFTURIZGBHI-TUAOUCFPSA-N 2 0 270.377 -0.162 20 0 CBADRP [NH3+]C1(CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)CCOCC1 ZINC000861646929 583775180 /nfs/dbraw/zinc/77/51/80/583775180.db2.gz WQNQQLRSSBGFGY-VIFPVBQESA-N 2 0 292.330 -0.209 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000861647048 583775526 /nfs/dbraw/zinc/77/55/26/583775526.db2.gz ZKCATNMSHGRJJE-UWVGGRQHSA-N 2 0 292.330 -0.651 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000861647047 583775545 /nfs/dbraw/zinc/77/55/45/583775545.db2.gz ZKCATNMSHGRJJE-NXEZZACHSA-N 2 0 292.330 -0.651 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000861676785 583776881 /nfs/dbraw/zinc/77/68/81/583776881.db2.gz MTLDQCKIWCAEKL-LLVKDONJSA-N 2 0 258.366 -0.397 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000861728995 583781625 /nfs/dbraw/zinc/78/16/25/583781625.db2.gz NLPQRWXBUVOHHP-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000861742853 583783021 /nfs/dbraw/zinc/78/30/21/583783021.db2.gz MFOAVTRZAADVPD-VHSXEESVSA-N 2 0 268.361 -0.855 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000861744720 583783256 /nfs/dbraw/zinc/78/32/56/583783256.db2.gz ODCRIKAPOCVNPL-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000861744140 583783266 /nfs/dbraw/zinc/78/32/66/583783266.db2.gz HIWLGXJEDFOLBR-WUHRBBMRSA-N 2 0 296.415 -0.158 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861763203 583785115 /nfs/dbraw/zinc/78/51/15/583785115.db2.gz LXLDNYQPSCWSSZ-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000861772456 583785620 /nfs/dbraw/zinc/78/56/20/583785620.db2.gz WRGQHDVCWMCFAZ-NSHDSACASA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000861784273 583786370 /nfs/dbraw/zinc/78/63/70/583786370.db2.gz WAIZPJNOLRMBCM-XQQFMLRXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000861784272 583786381 /nfs/dbraw/zinc/78/63/81/583786381.db2.gz WAIZPJNOLRMBCM-RWMBFGLXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000861784274 583786429 /nfs/dbraw/zinc/78/64/29/583786429.db2.gz WAIZPJNOLRMBCM-YNEHKIRRSA-N 2 0 296.415 -0.075 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000861786714 583786553 /nfs/dbraw/zinc/78/65/53/583786553.db2.gz OSRARINWWITZBA-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000863752317 583852564 /nfs/dbraw/zinc/85/25/64/583852564.db2.gz RGTBRLNENJHDMJ-GFCCVEGCSA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000863755419 583853275 /nfs/dbraw/zinc/85/32/75/583853275.db2.gz PFRGSBBOJLHOLP-QWHCGFSZSA-N 2 0 296.415 -0.121 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863765725 583854958 /nfs/dbraw/zinc/85/49/58/583854958.db2.gz SXDYZUCJUJNHSI-NSHDSACASA-N 2 0 272.393 -0.409 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000863769050 583855517 /nfs/dbraw/zinc/85/55/17/583855517.db2.gz BGFDTAKIPZLYMI-VXGBXAGGSA-N 2 0 284.404 -0.219 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCC(=O)O1 ZINC000865177322 583899690 /nfs/dbraw/zinc/89/96/90/583899690.db2.gz FGOCZRZPKMFOGS-LLVKDONJSA-N 2 0 271.361 -0.356 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(F)C(=O)N(C)CC[NH+](C)C ZINC000866312135 583920039 /nfs/dbraw/zinc/92/00/39/583920039.db2.gz ZHAYOFIIVVGAOO-UHFFFAOYSA-N 2 0 290.383 -0.636 20 0 CBADRP Cn1nnnc1CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000866661399 583926240 /nfs/dbraw/zinc/92/62/40/583926240.db2.gz QFIKGPYJUSCNME-HBNTYKKESA-N 2 0 250.350 -0.188 20 0 CBADRP Cn1nnnc1CC[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000866665983 583926511 /nfs/dbraw/zinc/92/65/11/583926511.db2.gz JVSKXQYCCWTVCW-GXTWGEPZSA-N 2 0 294.403 -0.029 20 0 CBADRP Cn1nnnc1CC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000866667861 583926548 /nfs/dbraw/zinc/92/65/48/583926548.db2.gz AGHLDDZWGUKCOV-CYBMUJFWSA-N 2 0 294.403 -0.157 20 0 CBADRP COCCOCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710844 583927994 /nfs/dbraw/zinc/92/79/94/583927994.db2.gz WMIIBSJZHHVEOW-UPJWGTAASA-N 2 0 299.371 -0.484 20 0 CBADRP COC[C@@H](C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)OC ZINC000866711045 583928023 /nfs/dbraw/zinc/92/80/23/583928023.db2.gz AOAPJIFRUFRUSB-LOWDOPEQSA-N 2 0 299.371 -0.485 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC000866708167 583928061 /nfs/dbraw/zinc/92/80/61/583928061.db2.gz DCDWEKNLFHJSSB-MROQNXINSA-N 2 0 281.356 -0.110 20 0 CBADRP O=C(CCN1CCC[C@H]2[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC000866724100 583928950 /nfs/dbraw/zinc/92/89/50/583928950.db2.gz IDEKSZGVRQAQCM-OLZOCXBDSA-N 2 0 266.389 -0.365 20 0 CBADRP [NH3+]CC12CCC(CC1)N2S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000866793718 583932955 /nfs/dbraw/zinc/93/29/55/583932955.db2.gz HTPWLPTVAWIBOI-MOENNCHZSA-N 2 0 289.401 -0.740 20 0 CBADRP C[C@@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000866809354 583933664 /nfs/dbraw/zinc/93/36/64/583933664.db2.gz INESTQFNNFZXTM-ZYHUDNBSSA-N 2 0 291.417 -0.718 20 0 CBADRP C[C@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000866812336 583933685 /nfs/dbraw/zinc/93/36/85/583933685.db2.gz INESTQFNNFZXTM-CMPLNLGQSA-N 2 0 291.417 -0.718 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)/C=C/CN1CCOCC1 ZINC000866920157 583936741 /nfs/dbraw/zinc/93/67/41/583936741.db2.gz BUVPCEBFZYIZMC-ISZGNANSSA-N 2 0 285.388 -0.696 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)C(F)C(=O)N[C@@H](C)C[NH+](C)C ZINC000868339350 583975193 /nfs/dbraw/zinc/97/51/93/583975193.db2.gz XFQBKJGLFZHTOB-UWVGGRQHSA-N 2 0 290.383 -0.543 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC[NH2+]1 ZINC000868389230 583976983 /nfs/dbraw/zinc/97/69/83/583976983.db2.gz NZZQZHDQEQXGFM-UPJWGTAASA-N 2 0 294.399 -0.641 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868390993 583977070 /nfs/dbraw/zinc/97/70/70/583977070.db2.gz RLNWYNRRZCWTOR-UTUOFQBUSA-N 2 0 282.388 -0.655 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868410120 583978324 /nfs/dbraw/zinc/97/83/24/583978324.db2.gz JILNXAFKBUGKOQ-NEPJUHHUSA-N 2 0 282.388 -0.654 20 0 CBADRP CCNC(=O)CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021852 584007323 /nfs/dbraw/zinc/00/73/23/584007323.db2.gz LTGHTOUCPMASOT-CHWSQXEVSA-N 2 0 298.431 -0.290 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CC(=O)N2)C[C@H]1C[NH+](C)C ZINC000870018328 584007333 /nfs/dbraw/zinc/00/73/33/584007333.db2.gz YWCZUMJPZZKVBZ-IJLUTSLNSA-N 2 0 282.388 -0.927 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)CC2OCCO2)C[C@H]1C[NH+](C)C ZINC000870020013 584007377 /nfs/dbraw/zinc/00/73/77/584007377.db2.gz YVWYWTIHHARUHX-CHWSQXEVSA-N 2 0 299.415 -0.053 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870885186 584020407 /nfs/dbraw/zinc/02/04/07/584020407.db2.gz DDAXZKWRBQXZQN-OWYJLGKBSA-N 2 0 280.416 -0.119 20 0 CBADRP O=C(CC[NH2+]CC1CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000870914213 584021276 /nfs/dbraw/zinc/02/12/76/584021276.db2.gz LIBFFHGWVUZBKK-CQSZACIVSA-N 2 0 280.416 -0.118 20 0 CBADRP O=C(CCC12CC(C1)C[NH2+]2)NCCCN1CC[NH2+]CC1 ZINC000870933733 584021741 /nfs/dbraw/zinc/02/17/41/584021741.db2.gz VPFQOHAOSJFHCP-UHFFFAOYSA-N 2 0 280.416 -0.070 20 0 CBADRP O=C(CC[NH2+]CC1CC1)NCCCN1CC[NH2+]CC1 ZINC000870932502 584021830 /nfs/dbraw/zinc/02/18/30/584021830.db2.gz GRTRLEDTTAWANN-UHFFFAOYSA-N 2 0 268.405 -0.212 20 0 CBADRP COCC[NH2+]CCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870939403 584022253 /nfs/dbraw/zinc/02/22/53/584022253.db2.gz RWWCCFMRLUTSHI-UHFFFAOYSA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CCO1 ZINC000870938745 584022362 /nfs/dbraw/zinc/02/23/62/584022362.db2.gz VCSOVRNQPVMUBA-FBUUZDRASA-N 2 0 253.346 -0.312 20 0 CBADRP O=C(CC[NH2+]CC1CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000870944575 584022814 /nfs/dbraw/zinc/02/28/14/584022814.db2.gz ISYPMUILFMDZJF-GFCCVEGCSA-N 2 0 255.362 -0.129 20 0 CBADRP COC1(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]CC1 ZINC000870944394 584022861 /nfs/dbraw/zinc/02/28/61/584022861.db2.gz GEORMCNZXSENOJ-MNOVXSKESA-N 2 0 253.346 -0.425 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870982267 584023865 /nfs/dbraw/zinc/02/38/65/584023865.db2.gz MEFJBTJPWXUSOH-SDDRHHMPSA-N 2 0 255.362 -0.097 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870999809 584024698 /nfs/dbraw/zinc/02/46/98/584024698.db2.gz PXFTUSPCAYTMNP-WISYIIOYSA-N 2 0 296.371 -0.637 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870996842 584024706 /nfs/dbraw/zinc/02/47/06/584024706.db2.gz HUIYGCKQIVQQHN-YFKTTZPYSA-N 2 0 296.371 -0.622 20 0 CBADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871003913 584024942 /nfs/dbraw/zinc/02/49/42/584024942.db2.gz FVCXGUOZFHKRGW-KXNHARMFSA-N 2 0 294.355 -0.868 20 0 CBADRP COCCN(C)C(=[NH2+])NC[C@@H]1C[N@H+](C)CCN1C ZINC000871604968 584043673 /nfs/dbraw/zinc/04/36/73/584043673.db2.gz KDMASFDDYHXVCP-LLVKDONJSA-N 2 0 257.382 -0.665 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000871817583 584046372 /nfs/dbraw/zinc/04/63/72/584046372.db2.gz CSBFKRIGUXFTRB-SDDRHHMPSA-N 2 0 289.401 -0.821 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000871817584 584046393 /nfs/dbraw/zinc/04/63/93/584046393.db2.gz CSBFKRIGUXFTRB-SRVKXCTJSA-N 2 0 289.401 -0.821 20 0 CBADRP O=C(CCN1CCO[C@@H](C(F)F)C1)N1CC[NH2+]CC1 ZINC000872146024 584047886 /nfs/dbraw/zinc/04/78/86/584047886.db2.gz CDYIBPVWEPKEEK-SNVBAGLBSA-N 2 0 277.315 -0.226 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000872154084 584048110 /nfs/dbraw/zinc/04/81/10/584048110.db2.gz LTKVXCFRUKPXDJ-GXTWGEPZSA-N 3 0 266.389 -0.650 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)CC1 ZINC000872219202 584051017 /nfs/dbraw/zinc/05/10/17/584051017.db2.gz DHSJISOJIYBHSV-KLOLGFOXSA-N 2 0 295.427 -0.392 20 0 CBADRP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)CC[NH2+]1 ZINC000873219239 584068909 /nfs/dbraw/zinc/06/89/09/584068909.db2.gz FLQZWWNPTHDPDI-KXNHARMFSA-N 2 0 265.357 -0.079 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000873229423 584068961 /nfs/dbraw/zinc/06/89/61/584068961.db2.gz YITNBSXUZAUDRD-VNHYZAJKSA-N 3 0 280.416 -0.275 20 0 CBADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000873267227 584069831 /nfs/dbraw/zinc/06/98/31/584069831.db2.gz YFOYUUDTDYKGSE-IPYPFGDCSA-N 2 0 297.399 -0.408 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000873267159 584069862 /nfs/dbraw/zinc/06/98/62/584069862.db2.gz WXVYJSNZJWCCCG-KCQAQPDRSA-N 2 0 297.399 -0.279 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC000874466530 584085717 /nfs/dbraw/zinc/08/57/17/584085717.db2.gz AWKFKCHRALMRMS-UHFFFAOYSA-N 2 0 268.405 -0.164 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876503071 584129807 /nfs/dbraw/zinc/12/98/07/584129807.db2.gz YFHFDMZCIKHJOM-NEPJUHHUSA-N 2 0 272.368 -0.655 20 0 CBADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876506374 584129962 /nfs/dbraw/zinc/12/99/62/584129962.db2.gz IQQKMGUOVGTRIE-NEPJUHHUSA-N 2 0 280.372 -0.300 20 0 CBADRP O=C(/C=C/[C@H]1CCC[NH2+]C1)NCC(=O)N1CC[NH2+]CC1 ZINC000876511548 584130304 /nfs/dbraw/zinc/13/03/04/584130304.db2.gz MCTLSCOYHWTESC-AAOUONPWSA-N 2 0 280.372 -0.910 20 0 CBADRP O=C(/C=C/[C@H]1CCC[NH2+]C1)NCCN1CC[NH2+]CC1 ZINC000876510596 584130334 /nfs/dbraw/zinc/13/03/34/584130334.db2.gz OLESWTXNLQHUAR-ITDFMYJTSA-N 2 0 266.389 -0.436 20 0 CBADRP O=C(/C=C\[C@H]1CCC[NH2+]C1)NCC(=O)N1CC[NH2+]CC1 ZINC000876511551 584130341 /nfs/dbraw/zinc/13/03/41/584130341.db2.gz MCTLSCOYHWTESC-VSQXVHSFSA-N 2 0 280.372 -0.910 20 0 CBADRP COC[C@]1(C(=O)N2CCC[C@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000876515058 584130549 /nfs/dbraw/zinc/13/05/49/584130549.db2.gz WQYPITUBEZOLGU-YPMHNXCESA-N 2 0 271.361 -0.811 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000876514525 584130708 /nfs/dbraw/zinc/13/07/08/584130708.db2.gz XOVKHBDXQJMZMF-MDZLAQPJSA-N 2 0 255.362 -0.049 20 0 CBADRP COC[C@]1(C(=O)N2CCC([C@@H](C)[NH3+])CC2)C[NH2+]CCO1 ZINC000876522894 584131001 /nfs/dbraw/zinc/13/10/01/584131001.db2.gz FXESSCZRHXKSST-RISCZKNCSA-N 2 0 285.388 -0.423 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H]([NH3+])c2ccccc2)C[NH2+]CCO1 ZINC000876525436 584131117 /nfs/dbraw/zinc/13/11/17/584131117.db2.gz JZJXAOQPEUIECI-HIFRSBDPSA-N 2 0 293.367 -0.192 20 0 CBADRP COC[C@]1(C(=O)NCC[C@@H]2CC[NH2+]C2)C[NH2+]CCO1 ZINC000876526428 584131247 /nfs/dbraw/zinc/13/12/47/584131247.db2.gz TWIBDDMSZGFGDZ-AAEUAGOBSA-N 2 0 271.361 -0.893 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876525978 584131297 /nfs/dbraw/zinc/13/12/97/584131297.db2.gz OJCLBOQCDOWWKF-NNTXTVRGSA-N 2 0 280.416 -0.094 20 0 CBADRP CN1CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)[C@H](C[NH3+])C1 ZINC000876542013 584132538 /nfs/dbraw/zinc/13/25/38/584132538.db2.gz JFNCPVQYIKIWLJ-BZPMIXESSA-N 2 0 266.389 -0.380 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@]2(COC)C[NH2+]CCO2)C1 ZINC000876717758 584140669 /nfs/dbraw/zinc/14/06/69/584140669.db2.gz HBBKDNMMRCVEDX-HIFRSBDPSA-N 2 0 299.415 -0.066 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H](C)C[NH+]2CCCCC2)C[NH2+]CCO1 ZINC000876723613 584140924 /nfs/dbraw/zinc/14/09/24/584140924.db2.gz GEKWTAJYDRDTQQ-DZGCQCFKSA-N 2 0 299.415 -0.018 20 0 CBADRP CC[NH+]1CCC(CNC(=O)[C@]2(COC)C[NH2+]CCO2)CC1 ZINC000876736586 584141781 /nfs/dbraw/zinc/14/17/81/584141781.db2.gz WIICHTGNCMWAGQ-OAHLLOKOSA-N 2 0 299.415 -0.161 20 0 CBADRP [NH3+]C[C@]1(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCCOC1 ZINC000876743773 584142007 /nfs/dbraw/zinc/14/20/07/584142007.db2.gz IMKIHGQROBSONG-KCQAQPDRSA-N 2 0 297.399 -0.279 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876749599 584142320 /nfs/dbraw/zinc/14/23/20/584142320.db2.gz ALGWZHBOJUMFAI-RYUDHWBXSA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000876754143 584142854 /nfs/dbraw/zinc/14/28/54/584142854.db2.gz PTAYZOSJFQHQGQ-UTUOFQBUSA-N 2 0 255.362 -0.219 20 0 CBADRP COC[C@]1(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[NH2+]CCO1 ZINC000876772854 584144003 /nfs/dbraw/zinc/14/40/03/584144003.db2.gz SMCNNMQYGIUJML-YDHLFZDLSA-N 2 0 299.415 -0.068 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2(COC)C[NH2+]CCO2)C1 ZINC000876775097 584144019 /nfs/dbraw/zinc/14/40/19/584144019.db2.gz OHPQCTZGUCXBFO-DZGCQCFKSA-N 2 0 299.415 -0.208 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000876780528 584144207 /nfs/dbraw/zinc/14/42/07/584144207.db2.gz HBTSMZJNDKXDGL-QWRGUYRKSA-N 2 0 290.358 -0.420 20 0 CBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876782374 584144256 /nfs/dbraw/zinc/14/42/56/584144256.db2.gz POXLBDRODCWCAX-KBPBESRZSA-N 2 0 299.463 -0.735 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000876787555 584144621 /nfs/dbraw/zinc/14/46/21/584144621.db2.gz VEVJMRDMNABVMQ-FRRDWIJNSA-N 2 0 268.405 -0.134 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[NH2+]CCOC ZINC000876792886 584145254 /nfs/dbraw/zinc/14/52/54/584145254.db2.gz XRSFGVPIVKVPRJ-OPVGQWETSA-N 2 0 255.362 -0.250 20 0 CBADRP COC[C@]1(C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[NH2+]CCO1 ZINC000876798026 584145580 /nfs/dbraw/zinc/14/55/80/584145580.db2.gz COBFGWJYSJBBED-KBPBESRZSA-N 2 0 285.388 -0.503 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C[NH2+]CCO1 ZINC000876805506 584146903 /nfs/dbraw/zinc/14/69/03/584146903.db2.gz CPIHYIYJAIASKP-KBPBESRZSA-N 2 0 283.372 -0.797 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)C[NH2+]CCO1 ZINC000876831308 584148099 /nfs/dbraw/zinc/14/80/99/584148099.db2.gz XFXDBMALVXLRFS-GVXVVHGQSA-N 2 0 271.361 -0.894 20 0 CBADRP COC[C@@]1(C(=O)N2CCC[C@H](CC[NH3+])C2)C[NH2+]CCO1 ZINC000876838466 584148490 /nfs/dbraw/zinc/14/84/90/584148490.db2.gz QYZZDIHCQLDRLK-TZMCWYRMSA-N 2 0 285.388 -0.421 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C[NH2+]CCO1 ZINC000876842786 584148691 /nfs/dbraw/zinc/14/86/91/584148691.db2.gz LGEFMTQCBLLVQW-UONOGXRCSA-N 2 0 267.373 -0.033 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876847344 584149227 /nfs/dbraw/zinc/14/92/27/584149227.db2.gz IJHCDVFMFNMBPK-AAAGKOELSA-N 2 0 295.383 -0.094 20 0 CBADRP COC[C@@]1(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C[NH2+]CCO1 ZINC000876850455 584149611 /nfs/dbraw/zinc/14/96/11/584149611.db2.gz RXHDKVLJCJKPEU-HUUCEWRRSA-N 2 0 297.399 -0.407 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000876852595 584150054 /nfs/dbraw/zinc/15/00/54/584150054.db2.gz FVHHEPZMTZEYCZ-FKPKYRGISA-N 2 0 292.427 -0.096 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000876854608 584150146 /nfs/dbraw/zinc/15/01/46/584150146.db2.gz UJKJXRQCLCDHRW-OLZOCXBDSA-N 2 0 268.405 -0.277 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)C(F)F ZINC000876863842 584150755 /nfs/dbraw/zinc/15/07/55/584150755.db2.gz KSVNXVXSAWKHCJ-ZLUOBGJFSA-N 2 0 257.231 -0.075 20 0 CBADRP [NH3+]C[C@@]1(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CCCOC1 ZINC000876866344 584150995 /nfs/dbraw/zinc/15/09/95/584150995.db2.gz RSXTWMDKYYVDAU-ONGXEEELSA-N 2 0 277.315 -0.145 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000876866992 584151057 /nfs/dbraw/zinc/15/10/57/584151057.db2.gz ZRCPBZPTRCKJLA-SECBINFHSA-N 2 0 262.304 -0.995 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000876869766 584151588 /nfs/dbraw/zinc/15/15/88/584151588.db2.gz HLSQZBSBPPMKPN-HBNTYKKESA-N 2 0 255.362 -0.146 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000876871303 584151877 /nfs/dbraw/zinc/15/18/77/584151877.db2.gz UWOHEKVMHBHRSN-LOWVWBTDSA-N 2 0 271.361 -0.765 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000876871304 584151890 /nfs/dbraw/zinc/15/18/90/584151890.db2.gz UWOHEKVMHBHRSN-MDZLAQPJSA-N 2 0 271.361 -0.765 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH2+]CCO1 ZINC000876885067 584153104 /nfs/dbraw/zinc/15/31/04/584153104.db2.gz UDTSZYHUZSRJHL-IPYPFGDCSA-N 2 0 297.399 -0.314 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000876885255 584153263 /nfs/dbraw/zinc/15/32/63/584153263.db2.gz KNAFNLSOYJOJIO-FRRDWIJNSA-N 2 0 268.405 -0.182 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)NCC[N@@H+]2CCCOCC2)C1(F)F ZINC000876890954 584153696 /nfs/dbraw/zinc/15/36/96/584153696.db2.gz MKXIMYRXUWSIJL-NXEZZACHSA-N 2 0 277.315 -0.335 20 0 CBADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NC[C@@H]1C[NH2+]CCO1 ZINC000876916441 584155078 /nfs/dbraw/zinc/15/50/78/584155078.db2.gz BMTNRVXJAZXWLX-WGPFEIJOSA-N 2 0 253.346 -0.353 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000876916433 584155149 /nfs/dbraw/zinc/15/51/49/584155149.db2.gz BMSXLVXBEZXFTF-GKBWCTFZSA-N 2 0 253.346 -0.497 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000876917681 584155479 /nfs/dbraw/zinc/15/54/79/584155479.db2.gz AYHSPZSHBYWEDI-RDBSUJKOSA-N 2 0 298.431 -0.380 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000876919830 584155600 /nfs/dbraw/zinc/15/56/00/584155600.db2.gz ZSCTXOMENYWTKH-DYEKYZERSA-N 2 0 285.388 -0.565 20 0 CBADRP COC[C@@]1(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C[NH2+]CCO1 ZINC000876924414 584155912 /nfs/dbraw/zinc/15/59/12/584155912.db2.gz RTSDFNSERLNPGQ-UONOGXRCSA-N 2 0 283.372 -0.654 20 0 CBADRP C[C@]1(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C[NH2+]CCO1 ZINC000876923188 584156006 /nfs/dbraw/zinc/15/60/06/584156006.db2.gz AUONIKRYROFPIJ-CHWSQXEVSA-N 2 0 253.346 -0.281 20 0 CBADRP COC[C@]1(C(=O)N(C)CC2CC[NH+](C)CC2)C[NH2+]CCO1 ZINC000876940506 584157007 /nfs/dbraw/zinc/15/70/07/584157007.db2.gz UCYQBTGAOWSQNP-HNNXBMFYSA-N 2 0 299.415 -0.208 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000876973390 584159198 /nfs/dbraw/zinc/15/91/98/584159198.db2.gz ZIOLVOZSEBACRZ-IDNBYQFASA-N 2 0 292.427 -0.096 20 0 CBADRP COC[C@]1(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C[NH2+]CCO1 ZINC000876985019 584159817 /nfs/dbraw/zinc/15/98/17/584159817.db2.gz MRSWPDVEARPCET-YUTCNCBUSA-N 2 0 283.372 -0.669 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C=C1CC[NH2+]CC1 ZINC000876999281 584160454 /nfs/dbraw/zinc/16/04/54/584160454.db2.gz CYYUCZKRXUDIRF-ZDUSSCGKSA-N 2 0 294.399 -0.248 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000877011558 584161741 /nfs/dbraw/zinc/16/17/41/584161741.db2.gz FYGYISBNJBGJEZ-CHWSQXEVSA-N 2 0 268.405 -0.119 20 0 CBADRP C[NH2+]CCOCCNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000877023779 584161944 /nfs/dbraw/zinc/16/19/44/584161944.db2.gz FCQOEXULZQKODE-QMAVJUDZSA-N 2 0 255.362 -0.106 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000877033634 584162707 /nfs/dbraw/zinc/16/27/07/584162707.db2.gz IYXLTPAFEPJGIW-ZDUSSCGKSA-N 2 0 298.431 -0.411 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000877029501 584162771 /nfs/dbraw/zinc/16/27/71/584162771.db2.gz FJJDCORBJSOOKZ-IUCAKERBSA-N 2 0 265.304 -0.479 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000877102537 584166042 /nfs/dbraw/zinc/16/60/42/584166042.db2.gz JYMWRMJEOZBHPQ-GFCCVEGCSA-N 2 0 256.394 -0.180 20 0 CBADRP COC[C@]1(C(=O)N2CCCCC[C@H]([NH3+])C2)C[NH2+]CCO1 ZINC000877124803 584167522 /nfs/dbraw/zinc/16/75/22/584167522.db2.gz DTZGWSIQTSOBML-JSGCOSHPSA-N 2 0 285.388 -0.279 20 0 CBADRP CC1(C)CC[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])[NH2+]C1 ZINC000877151213 584168193 /nfs/dbraw/zinc/16/81/93/584168193.db2.gz IEAPWPVVAWDCMC-GARJFASQSA-N 2 0 255.362 -0.003 20 0 CBADRP CC1(C)CC[C@@H](CNC(=O)[C@@H]2C[NH2+]CCO2)[NH2+]C1 ZINC000877158845 584168552 /nfs/dbraw/zinc/16/85/52/584168552.db2.gz ZLQSEGOZGIZYAR-QWRGUYRKSA-N 2 0 255.362 -0.131 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877168374 584168891 /nfs/dbraw/zinc/16/88/91/584168891.db2.gz LIMDGMMMCZNGGP-TUAOUCFPSA-N 2 0 253.346 -0.282 20 0 CBADRP COC[C@@]1(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C[NH2+]CCO1 ZINC000877182220 584169643 /nfs/dbraw/zinc/16/96/43/584169643.db2.gz VQRSIZKHZDHFMX-YRGRVCCFSA-N 2 0 285.388 -0.375 20 0 CBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877184746 584169654 /nfs/dbraw/zinc/16/96/54/584169654.db2.gz RDVHBGZECXQXBP-PCQVFGIUSA-N 2 0 253.346 -0.168 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCCC[NH2+]1 ZINC000877244395 584171964 /nfs/dbraw/zinc/17/19/64/584171964.db2.gz BKPSMRVTRGEJQH-NQBHXWOUSA-N 2 0 255.362 -0.001 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877250626 584172715 /nfs/dbraw/zinc/17/27/15/584172715.db2.gz QYSOXRZCVICPAW-DYEKYZERSA-N 2 0 296.415 -0.362 20 0 CBADRP C[C@@H](NC(=O)[C@H]1CCO[C@@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000877254472 584173323 /nfs/dbraw/zinc/17/33/23/584173323.db2.gz UZMBPTUDWZNYEH-ADEWGFFLSA-N 2 0 255.362 -0.146 20 0 CBADRP COCCC1(NC(=O)C[C@H]2C[NH2+]CCO2)CC[NH2+]CC1 ZINC000877266162 584173854 /nfs/dbraw/zinc/17/38/54/584173854.db2.gz AHYAUQAUGLHAPU-LBPRGKRZSA-N 2 0 285.388 -0.360 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)=NO1 ZINC000877264866 584173936 /nfs/dbraw/zinc/17/39/36/584173936.db2.gz AYFNTQVSPMJULR-NHCYSSNCSA-N 2 0 266.345 -0.310 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877273254 584175159 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O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@@H]1C[NH2+]CCO1 ZINC000877347728 584179261 /nfs/dbraw/zinc/17/92/61/584179261.db2.gz PEJAUNLPZUJIAO-KBPBESRZSA-N 2 0 275.352 -0.195 20 0 CBADRP [NH3+]CCOCC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877371471 584179727 /nfs/dbraw/zinc/17/97/27/584179727.db2.gz RFKVAFHYBJOKLC-JGVFFNPUSA-N 2 0 269.267 -0.443 20 0 CBADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000877450824 584182400 /nfs/dbraw/zinc/18/24/00/584182400.db2.gz GDUALWWLFOFSFZ-XPCVCDNBSA-N 2 0 279.384 -0.083 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000877451596 584182620 /nfs/dbraw/zinc/18/26/20/584182620.db2.gz RTMCRSAWKQRAKN-TUAOUCFPSA-N 2 0 283.372 -0.038 20 0 CBADRP Cn1nnnc1CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000877969493 584189204 /nfs/dbraw/zinc/18/92/04/584189204.db2.gz CDCZSDYSWXPFFX-UHFFFAOYSA-N 2 0 294.403 -0.203 20 0 CBADRP C[NH+]1CCC(NC(=O)CN2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000877982540 584189713 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C[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@@H]1O ZINC000878336458 584200808 /nfs/dbraw/zinc/20/08/08/584200808.db2.gz YCOVFWQREFTFOS-JQWIXIFHSA-N 2 0 255.362 -0.491 20 0 CBADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCc2nnnn2C)CC1 ZINC000878690961 584214083 /nfs/dbraw/zinc/21/40/83/584214083.db2.gz ZFFYTMXSTZNALV-UHFFFAOYSA-N 2 0 295.435 -0.242 20 0 CBADRP C[NH+](C)C[C@]1(O)CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000878867715 584219573 /nfs/dbraw/zinc/21/95/73/584219573.db2.gz LYLDGZXKYPKLAM-LSDHHAIUSA-N 2 0 285.432 -0.168 20 0 CBADRP C[C@]12C[N@H+](C[C@H](O)C[NH+]3CCCC3)C[C@@]1(C)C(=O)NC2=O ZINC000879158775 584228792 /nfs/dbraw/zinc/22/87/92/584228792.db2.gz XYMIGOJLEQIXIK-DFBGVHRSSA-N 2 0 295.383 -0.572 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879998716 584259346 /nfs/dbraw/zinc/25/93/46/584259346.db2.gz YOPYDEXPJGZSIL-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP OC[C@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H](O)C[NH+]1CCCC1 ZINC000880070673 584260556 /nfs/dbraw/zinc/26/05/56/584260556.db2.gz KBGFRCKJFCLMAU-ZNMIVQPWSA-N 2 0 283.416 -0.416 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883423683 584341726 /nfs/dbraw/zinc/34/17/26/584341726.db2.gz RMXRKLYKRKLALV-KBPBESRZSA-N 2 0 298.406 -0.074 20 0 CBADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCn2cnnn2)CC1 ZINC000883431798 584341944 /nfs/dbraw/zinc/34/19/44/584341944.db2.gz DNWQEGOHSIIMSN-CHWSQXEVSA-N 2 0 280.376 -0.109 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCn3cnnn3)C2)C1 ZINC000883434726 584342349 /nfs/dbraw/zinc/34/23/49/584342349.db2.gz ZMFCTHUOAMFCOY-XQQFMLRXSA-N 2 0 280.376 -0.109 20 0 CBADRP CC(C)C[C@@H](C(N)=O)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000883461858 584343137 /nfs/dbraw/zinc/34/31/37/584343137.db2.gz FEEIOJKAWJCFQO-LBPRGKRZSA-N 2 0 256.394 -0.277 20 0 CBADRP O=C1NCC[C@H]2CCC[N@H+](CCN3CC[NH2+]CC3)[C@@H]12 ZINC000883462322 584343143 /nfs/dbraw/zinc/34/31/43/584343143.db2.gz OHZYPAPVUNOWBD-CHWSQXEVSA-N 2 0 266.389 -0.508 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884008957 584355354 /nfs/dbraw/zinc/35/53/54/584355354.db2.gz HAWUALDDYZPEIV-ZDUSSCGKSA-N 2 0 289.383 -0.075 20 0 CBADRP CC[NH2+]CCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884023814 584356192 /nfs/dbraw/zinc/35/61/92/584356192.db2.gz YODVSXUHQDMKII-UHFFFAOYSA-N 2 0 277.372 -0.170 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000884183738 584364688 /nfs/dbraw/zinc/36/46/88/584364688.db2.gz VVQSLMDPVRLGBT-UTUOFQBUSA-N 2 0 273.377 -0.424 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000884213162 584367595 /nfs/dbraw/zinc/36/75/95/584367595.db2.gz UXZBEYMQQDAZKQ-NWDGAFQWSA-N 2 0 255.362 -0.049 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000884233548 584368972 /nfs/dbraw/zinc/36/89/72/584368972.db2.gz RQCHDBDPSGDLLU-ZMLRMANQSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884234994 584369358 /nfs/dbraw/zinc/36/93/58/584369358.db2.gz KGZNLEJENPKKPZ-DGCLKSJQSA-N 2 0 268.405 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/nfs/dbraw/zinc/37/70/55/584377055.db2.gz RNJVVXWFLHYDSE-HQVAUKCESA-N 2 0 287.429 -0.271 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC3(C)C)C[C@H]2[NH3+])cn1 ZINC000884371669 584377205 /nfs/dbraw/zinc/37/72/05/584377205.db2.gz TZBSGWOZTPOQBJ-RWMBFGLXSA-N 2 0 291.399 -0.081 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NC1(C[NH3+])CCOCC1 ZINC000884436499 584381461 /nfs/dbraw/zinc/38/14/61/584381461.db2.gz HBXRLSPFJOSKJV-SNVBAGLBSA-N 2 0 255.362 -0.144 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884444353 584381989 /nfs/dbraw/zinc/38/19/89/584381989.db2.gz HVZLTTHGTFLQNJ-LLVKDONJSA-N 2 0 277.372 -0.090 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000884463545 584382931 /nfs/dbraw/zinc/38/29/31/584382931.db2.gz KQVJRVUYZDVPEU-NSHDSACASA-N 3 0 279.344 -0.597 20 0 CBADRP CCN(C(=O)C(=O)NCC1([NH+](C)C)CCC1)[C@H]1CC[NH2+]C1 ZINC000884529852 584386835 /nfs/dbraw/zinc/38/68/35/584386835.db2.gz XTYMJXPEIUBXDH-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000884554382 584387748 /nfs/dbraw/zinc/38/77/48/584387748.db2.gz SGKDNFLTVJMFTJ-GHMZBOCLSA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[N@@H+]1C1CC1 ZINC000884553969 584387764 /nfs/dbraw/zinc/38/77/64/584387764.db2.gz KWAAOBOMLXGWPR-KQXIARHKSA-N 2 0 292.383 -0.700 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000884577194 584388813 /nfs/dbraw/zinc/38/88/13/584388813.db2.gz ZHVOOZYHUPBKCV-UPJWGTAASA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000884576191 584388841 /nfs/dbraw/zinc/38/88/41/584388841.db2.gz BNJJEEWICBSHKQ-QWHCGFSZSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)C1CC1 ZINC000884601527 584389711 /nfs/dbraw/zinc/38/97/11/584389711.db2.gz NYNHXTGTZMNQIR-MNOVXSKESA-N 2 0 282.388 -0.465 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884601489 584389742 /nfs/dbraw/zinc/38/97/42/584389742.db2.gz MUKNHQMCDRJFLG-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[N@H+](C)C1CC1 ZINC000884616783 584391212 /nfs/dbraw/zinc/39/12/12/584391212.db2.gz BRWFWNGAWYQFGT-NHCYSSNCSA-N 2 0 280.372 -0.842 20 0 CBADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884627055 584391649 /nfs/dbraw/zinc/39/16/49/584391649.db2.gz CIUVPYBXEYSOBB-MDZLAQPJSA-N 2 0 292.383 -0.840 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000884670272 584394073 /nfs/dbraw/zinc/39/40/73/584394073.db2.gz UJIWPUCHGMWWNV-JHJVBQTASA-N 2 0 294.399 -0.321 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC3CC[NH2+]CC3)CC[C@@H]21 ZINC000884675678 584394629 /nfs/dbraw/zinc/39/46/29/584394629.db2.gz LOVULRMAFXZLAZ-YPMHNXCESA-N 2 0 294.399 -0.593 20 0 CBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000884678302 584395082 /nfs/dbraw/zinc/39/50/82/584395082.db2.gz WHTADBAGAICBBG-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000884684672 584395971 /nfs/dbraw/zinc/39/59/71/584395971.db2.gz MKXOBFJDLFTPSD-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000884692839 584397822 /nfs/dbraw/zinc/39/78/22/584397822.db2.gz APBRIWWJKUNYFK-UHFFFAOYSA-N 2 0 294.399 -0.449 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884701588 584398595 /nfs/dbraw/zinc/39/85/95/584398595.db2.gz KZMMLFYKIGGDOZ-UPJWGTAASA-N 2 0 296.415 -0.362 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC(C)(C)[NH3+])CC[C@H]21 ZINC000884709025 584399812 /nfs/dbraw/zinc/39/98/12/584399812.db2.gz SGUZWBXOULDVRU-GHMZBOCLSA-N 2 0 282.388 -0.608 20 0 CBADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000884728695 584400993 /nfs/dbraw/zinc/40/09/93/584400993.db2.gz YGRRCADOOIBYLD-WXRRBKDZSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000884728051 584401108 /nfs/dbraw/zinc/40/11/08/584401108.db2.gz HLKVIDGIOMXMHH-OKZRHMCRSA-N 2 0 296.415 -0.077 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000884775064 584402005 /nfs/dbraw/zinc/40/20/05/584402005.db2.gz XWLUHWCCJAQJCH-FIQHERPVSA-N 2 0 282.388 -0.609 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])C1 ZINC000884774430 584402015 /nfs/dbraw/zinc/40/20/15/584402015.db2.gz KTINIGSNSLEETO-PHIMTYICSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884774425 584402019 /nfs/dbraw/zinc/40/20/19/584402019.db2.gz KNUCQGQTTAZEAL-KVVVAFMNSA-N 2 0 294.399 -0.594 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884824064 584403971 /nfs/dbraw/zinc/40/39/71/584403971.db2.gz PPSKZBQGEFPFEI-WUHRBBMRSA-N 2 0 294.399 -0.594 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCCC(C)(C)[NH3+])C1 ZINC000885196135 584409670 /nfs/dbraw/zinc/40/96/70/584409670.db2.gz TYPWMIMCOOZLLT-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP C[N@H+](CCO)CCNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000886968576 584452687 /nfs/dbraw/zinc/45/26/87/584452687.db2.gz IWXXXFYHGBLTMC-SSDOTTSWSA-N 2 0 272.271 -0.901 20 0 CBADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000887084895 584462781 /nfs/dbraw/zinc/46/27/81/584462781.db2.gz SHPHTPURTUKTHH-CYBMUJFWSA-N 2 0 296.415 -0.264 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000891514651 584583592 /nfs/dbraw/zinc/58/35/92/584583592.db2.gz WDVKOUHNKADCON-FRRDWIJNSA-N 2 0 282.388 -0.018 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000891513949 584583620 /nfs/dbraw/zinc/58/36/20/584583620.db2.gz KHPDEANIMLUKMJ-XQHKEYJVSA-N 2 0 282.388 -0.114 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000891514720 584583631 /nfs/dbraw/zinc/58/36/31/584583631.db2.gz YEBXPKLSAJFCBO-YVECIDJPSA-N 2 0 282.388 -0.019 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891536738 584584406 /nfs/dbraw/zinc/58/44/06/584584406.db2.gz GTHGECNTHRXEBL-AVGNSLFASA-N 2 0 282.388 -0.147 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000891540843 584584927 /nfs/dbraw/zinc/58/49/27/584584927.db2.gz YVPCAZHJVWERKL-UTUOFQBUSA-N 2 0 269.393 -0.637 20 0 CBADRP CN1CCN(C(=O)NCCn2ccnc2)CC[N@H+](C)CC1 ZINC000891555999 584585704 /nfs/dbraw/zinc/58/57/04/584585704.db2.gz TUGQWUXITVXOHF-UHFFFAOYSA-N 2 0 294.403 -0.228 20 0 CBADRP C[C@@H](CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C[NH+]1CCN(C)CC1 ZINC000891604059 584587801 /nfs/dbraw/zinc/58/78/01/584587801.db2.gz VPOQODCVCPGIIV-IHRRRGAJSA-N 2 0 295.431 -0.374 20 0 CBADRP O=C(NCC[N@@H+]1CCCOCC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891919455 584594367 /nfs/dbraw/zinc/59/43/67/584594367.db2.gz RMOFSPMTQOIRRH-BETUJISGSA-N 2 0 282.388 -0.146 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000891970116 584596089 /nfs/dbraw/zinc/59/60/89/584596089.db2.gz GXPSOXGLVXDONJ-GFCCVEGCSA-N 2 0 297.403 -0.798 20 0 CBADRP C[NH2+]CCNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891993702 584597768 /nfs/dbraw/zinc/59/77/68/584597768.db2.gz JIRWARPLPNBELN-HTQZYQBOSA-N 2 0 268.283 -0.016 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)NCC3C[NH2+]C3)CC[C@@H]21 ZINC000892047698 584601277 /nfs/dbraw/zinc/60/12/77/584601277.db2.gz ARBFZRLTQNJZED-RYUDHWBXSA-N 2 0 252.362 -0.059 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000892051722 584601609 /nfs/dbraw/zinc/60/16/09/584601609.db2.gz WUELXHVLTYUYES-OLZOCXBDSA-N 2 0 284.404 -0.042 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892103937 584604799 /nfs/dbraw/zinc/60/47/99/584604799.db2.gz SUMFHKFWHFIGLU-MNOVXSKESA-N 2 0 270.377 -0.209 20 0 CBADRP C[C@H](O)C(=O)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000892125340 584605485 /nfs/dbraw/zinc/60/54/85/584605485.db2.gz TXCYXGYWSZCYNE-LBPRGKRZSA-N 2 0 269.389 -0.147 20 0 CBADRP COCCC1(NC(=O)NC/C=C/C[NH3+])CC[NH2+]CC1 ZINC000892123181 584605546 /nfs/dbraw/zinc/60/55/46/584605546.db2.gz ZKFJVTPGCZBLNJ-NSCUHMNNSA-N 2 0 270.377 -0.041 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000892140978 584605886 /nfs/dbraw/zinc/60/58/86/584605886.db2.gz GIEOHUNKTKKGPZ-DCAQKATOSA-N 2 0 272.393 -0.134 20 0 CBADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892157152 584606317 /nfs/dbraw/zinc/60/63/17/584606317.db2.gz PJYNUYIDBLBXLU-CIUDSAMLSA-N 2 0 260.288 -0.261 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000892170608 584607134 /nfs/dbraw/zinc/60/71/34/584607134.db2.gz VBFKCLVPBIUSHM-OUAUKWLOSA-N 2 0 256.350 -0.504 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000892170605 584607143 /nfs/dbraw/zinc/60/71/43/584607143.db2.gz VBFKCLVPBIUSHM-GMTAPVOTSA-N 2 0 256.350 -0.504 20 0 CBADRP [NH3+]CC1(NC(=O)NC[C@@H]2C[NH2+]CCO2)CCCCC1 ZINC000892181798 584607706 /nfs/dbraw/zinc/60/77/06/584607706.db2.gz VHMIYKOJUHVORU-NSHDSACASA-N 2 0 270.377 -0.064 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3C[NH2+]CCO3)CC[C@@H]21 ZINC000892181830 584608008 /nfs/dbraw/zinc/60/80/08/584608008.db2.gz VYBQNEGMFJJKGG-UPJWGTAASA-N 2 0 282.388 -0.290 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCC1([NH3+])CCOCC1)C2 ZINC000892278734 584611824 /nfs/dbraw/zinc/61/18/24/584611824.db2.gz BPXZIWXVTHHZSL-WCQYABFASA-N 2 0 282.388 -0.255 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000892287534 584612621 /nfs/dbraw/zinc/61/26/21/584612621.db2.gz OSUWOGWXXYLPNC-VHSXEESVSA-N 2 0 292.330 -0.481 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000892290736 584613370 /nfs/dbraw/zinc/61/33/70/584613370.db2.gz SEUOWBGIVKZHAV-UTUOFQBUSA-N 2 0 268.361 -0.489 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000892551451 584618410 /nfs/dbraw/zinc/61/84/10/584618410.db2.gz ILSVZSKOLLAGHL-FRRDWIJNSA-N 2 0 284.404 -0.130 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892573170 584619472 /nfs/dbraw/zinc/61/94/72/584619472.db2.gz XXNJRLMOWBHMGC-XYPYZODXSA-N 2 0 258.366 -0.663 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892574636 584619542 /nfs/dbraw/zinc/61/95/42/584619542.db2.gz WCIBOQGQUXHAQO-CKYFFXLPSA-N 2 0 258.366 -0.665 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21 ZINC000892686875 584622606 /nfs/dbraw/zinc/62/26/06/584622606.db2.gz DZBMVKSPOUIUFX-OLZOCXBDSA-N 2 0 284.404 -0.090 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCC(C)(C)[NH3+])CCO1 ZINC000892851220 584628177 /nfs/dbraw/zinc/62/81/77/584628177.db2.gz RWRWTZHDBWOVMO-NXEZZACHSA-N 2 0 258.366 -0.129 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000894366649 584656720 /nfs/dbraw/zinc/65/67/20/584656720.db2.gz MVQCWXXZNLCBRK-OLZOCXBDSA-N 2 0 284.404 -0.090 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)NCC[NH+]3CCCOCC3)C[C@H]2C1 ZINC000895045940 584670141 /nfs/dbraw/zinc/67/01/41/584670141.db2.gz CQTKXTRVFYUVEK-OKILXGFUSA-N 2 0 296.415 -0.088 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1C[NH+](C)CCN1C ZINC000896529263 584700681 /nfs/dbraw/zinc/70/06/81/584700681.db2.gz AGLUWHSHXFXRST-RWMBFGLXSA-N 2 0 268.405 -0.169 20 0 CBADRP C[C@H](NC(=O)C1([NH+](C)C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC000896537446 584701445 /nfs/dbraw/zinc/70/14/45/584701445.db2.gz YWJCKPBIDFYJAG-NWDGAFQWSA-N 2 0 268.405 -0.169 20 0 CBADRP C[C@H]1[C@H](NC(=O)N2CCN(C)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000896617783 584704071 /nfs/dbraw/zinc/70/40/71/584704071.db2.gz KADYEDBESCXMMB-UONOGXRCSA-N 2 0 297.447 -0.032 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NC[C@H]1CN2CCN1CC2 ZINC000897146454 584709101 /nfs/dbraw/zinc/70/91/01/584709101.db2.gz SWPUELPKVFFIDF-STQMWFEESA-N 2 0 280.416 -0.025 20 0 CBADRP CCN1CC[C@@H]1CNC(=O)C(=O)N[C@H](C)Cn1ccnc1 ZINC000897490181 584717861 /nfs/dbraw/zinc/71/78/61/584717861.db2.gz WECYTOBXMNWARH-VXGBXAGGSA-N 2 0 293.371 -0.402 20 0 CBADRP CCN1CC[C@@H]1CNC(=O)C(=O)NCc1nccn1C ZINC000897659937 584722135 /nfs/dbraw/zinc/72/21/35/584722135.db2.gz QWAXADQQGBOVDJ-SNVBAGLBSA-N 2 0 279.344 -0.753 20 0 CBADRP C[NH+]1CCC2(CC[N@@H+]2CCC(=O)NC(N)=O)CC1 ZINC000899911796 584784397 /nfs/dbraw/zinc/78/43/97/584784397.db2.gz YOMCIHHOVXDKRP-UHFFFAOYSA-N 2 0 254.334 -0.259 20 0 CBADRP C[NH+](C)CCCNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000899919786 584784937 /nfs/dbraw/zinc/78/49/37/584784937.db2.gz FVQTZCYBVWMERC-ZDUSSCGKSA-N 2 0 257.378 -0.099 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC[NH+](C)CC1 ZINC000899935479 584785629 /nfs/dbraw/zinc/78/56/29/584785629.db2.gz NSSWVUFBPKHGKE-AAEUAGOBSA-N 2 0 255.362 -0.394 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[NH+](C)CC1 ZINC000899935480 584785781 /nfs/dbraw/zinc/78/57/81/584785781.db2.gz NSSWVUFBPKHGKE-DGCLKSJQSA-N 2 0 255.362 -0.394 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000900192638 584794846 /nfs/dbraw/zinc/79/48/46/584794846.db2.gz UGWLLNJHJKQGPT-GXTWGEPZSA-N 2 0 287.404 -0.474 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000900192641 584794978 /nfs/dbraw/zinc/79/49/78/584794978.db2.gz UGWLLNJHJKQGPT-TZMCWYRMSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900306604 584799155 /nfs/dbraw/zinc/79/91/55/584799155.db2.gz UOZKKLWRSPRTHE-DYEKYZERSA-N 2 0 269.389 -0.101 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)CC1 ZINC000900374129 584801257 /nfs/dbraw/zinc/80/12/57/584801257.db2.gz MNMYIEAKTPCJDA-UKRRQHHQSA-N 2 0 299.415 -0.378 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CC1 ZINC000900374127 584801327 /nfs/dbraw/zinc/80/13/27/584801327.db2.gz MNMYIEAKTPCJDA-DZGCQCFKSA-N 2 0 299.415 -0.378 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000900526062 584810301 /nfs/dbraw/zinc/81/03/01/584810301.db2.gz SFVCVUOFDKPKHD-DYEKYZERSA-N 2 0 269.389 -0.006 20 0 CBADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H]1C[N@H+](C)CCN1C ZINC000900802286 584827595 /nfs/dbraw/zinc/82/75/95/584827595.db2.gz DOAILMUNZBDGRF-CHWSQXEVSA-N 2 0 280.416 -0.167 20 0 CBADRP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)[C@H]1C[NH+](C)CCN1C ZINC000900807995 584828009 /nfs/dbraw/zinc/82/80/09/584828009.db2.gz XVOPBKVBJMQNPA-JLNYLFASSA-N 2 0 298.431 -0.808 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000901134240 584850948 /nfs/dbraw/zinc/85/09/48/584850948.db2.gz JYODDGWPFAQSSV-UMVBOHGHSA-N 2 0 299.415 -0.596 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000901184257 584853957 /nfs/dbraw/zinc/85/39/57/584853957.db2.gz CLRRFUCZIOVZPC-UONOGXRCSA-N 2 0 287.404 -0.738 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000901327015 584860997 /nfs/dbraw/zinc/86/09/97/584860997.db2.gz JWIRVCTXMUTWKW-WCQYABFASA-N 2 0 257.378 -0.148 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC1=CC[NH+](C)CC1 ZINC000901329285 584861124 /nfs/dbraw/zinc/86/11/24/584861124.db2.gz FUZKSHPLWADTLQ-JSGCOSHPSA-N 2 0 267.373 -0.180 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000901342093 584861993 /nfs/dbraw/zinc/86/19/93/584861993.db2.gz YURVPNLAIZTDFI-WCQYABFASA-N 2 0 273.377 -0.864 20 0 CBADRP O=c1ccn(CCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c(=O)[nH]1 ZINC000902519720 584877757 /nfs/dbraw/zinc/87/77/57/584877757.db2.gz MGBXELVEKUSJLX-FFNLUWKOSA-N 2 0 290.367 -0.075 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903453107 584890592 /nfs/dbraw/zinc/89/05/92/584890592.db2.gz ZMNJYKBZVFNYEN-WOPDTQHZSA-N 2 0 255.362 -0.321 20 0 CBADRP CCNC(=O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492934 584891700 /nfs/dbraw/zinc/89/17/00/584891700.db2.gz LYVCAQSMRSWYMA-CWSCBRNRSA-N 2 0 269.345 -0.665 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H]1CCOC1=O)C2 ZINC000903492311 584891710 /nfs/dbraw/zinc/89/17/10/584891710.db2.gz AQGNJJDIJYHZKO-WTBMIXGQSA-N 2 0 268.313 -0.486 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903495288 584891797 /nfs/dbraw/zinc/89/17/97/584891797.db2.gz YXARYJLPRDAUTA-UNJBNNCHSA-N 3 0 285.388 -0.831 20 0 CBADRP CNS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496816 584892036 /nfs/dbraw/zinc/89/20/36/584892036.db2.gz FUAUURCPBYJSTD-GHMZBOCLSA-N 2 0 263.407 -0.158 20 0 CBADRP [NH3+][C@@H]1CN(C[C@H]2C[NH2+]CCO2)C[C@H]1C(F)(F)F ZINC000903512932 584892178 /nfs/dbraw/zinc/89/21/78/584892178.db2.gz KOTLTDZBGWWSSQ-IWSPIJDZSA-N 2 0 253.268 -0.204 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000903554485 584893032 /nfs/dbraw/zinc/89/30/32/584893032.db2.gz RWMYGHRIUXYVQT-LLVKDONJSA-N 2 0 275.418 -0.097 20 0 CBADRP CC1(C)CC[N@H+](CCNS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000903559401 584893246 /nfs/dbraw/zinc/89/32/46/584893246.db2.gz OBAMDTRFSXEWHM-UHFFFAOYSA-N 2 0 290.433 -0.542 20 0 CBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@H]1CCCCC[NH2+]1 ZINC000903565118 584893442 /nfs/dbraw/zinc/89/34/42/584893442.db2.gz RDZQPZXACOOZMU-VXGBXAGGSA-N 2 0 291.417 -0.574 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903586845 584894083 /nfs/dbraw/zinc/89/40/83/584894083.db2.gz KZNATXQLTFJJTE-NSHDSACASA-N 2 0 290.433 -0.416 20 0 CBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC[C@]12CC[NH2+]C2 ZINC000903593181 584894333 /nfs/dbraw/zinc/89/43/33/584894333.db2.gz XKNAZGYZFTYMAP-VXGBXAGGSA-N 2 0 289.401 -0.868 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903716601 584895662 /nfs/dbraw/zinc/89/56/62/584895662.db2.gz QAVDNCIBROUWMT-GJZGRUSLSA-N 3 0 282.432 -0.408 20 0 CBADRP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722320 584895782 /nfs/dbraw/zinc/89/57/82/584895782.db2.gz KOZOOFVPZUHTKV-MBNYWOFBSA-N 2 0 267.373 -0.035 20 0 CBADRP CNC(=O)CC[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903728412 584896171 /nfs/dbraw/zinc/89/61/71/584896171.db2.gz AQIKHKVYIVJQPJ-DGCLKSJQSA-N 2 0 255.362 -0.177 20 0 CBADRP CN1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1=O ZINC000903728904 584896199 /nfs/dbraw/zinc/89/61/99/584896199.db2.gz HBSMCTCDHGBZKK-DGCLKSJQSA-N 2 0 253.346 -0.471 20 0 CBADRP CC[C@@H]1C(=O)NCCN1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903730787 584896209 /nfs/dbraw/zinc/89/62/09/584896209.db2.gz ZHMAOPMYUCKZHP-BZPMIXESSA-N 2 0 267.373 -0.035 20 0 CBADRP CN1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1=O ZINC000903728903 584896219 /nfs/dbraw/zinc/89/62/19/584896219.db2.gz HBSMCTCDHGBZKK-AAEUAGOBSA-N 2 0 253.346 -0.471 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903731495 584896456 /nfs/dbraw/zinc/89/64/56/584896456.db2.gz HULQOWAWNDMNCL-LBPRGKRZSA-N 2 0 296.415 -0.264 20 0 CBADRP [NH3+]C[C@@H]1CN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903744111 584896836 /nfs/dbraw/zinc/89/68/36/584896836.db2.gz OUQBXAOGANRQHF-YNEHKIRRSA-N 2 0 255.362 -0.586 20 0 CBADRP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903746828 584896973 /nfs/dbraw/zinc/89/69/73/584896973.db2.gz LSDCGDZWRUUICB-RQJABVFESA-N 3 0 251.374 -0.094 20 0 CBADRP Cn1ccnc1[C@@H]1C[NH2+]CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000903747008 584896978 /nfs/dbraw/zinc/89/69/78/584896978.db2.gz NKPOKMPNHAHQJV-KGLIPLIRSA-N 2 0 293.415 -0.177 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903746310 584896998 /nfs/dbraw/zinc/89/69/98/584896998.db2.gz CCYPVESSBODTDG-RWMBFGLXSA-N 2 0 296.415 -0.265 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000903750324 584897388 /nfs/dbraw/zinc/89/73/88/584897388.db2.gz XLIOJVRUSGTXOB-CHWSQXEVSA-N 2 0 285.388 -0.720 20 0 CBADRP [NH3+]C[C@@H]1CN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCCO1 ZINC000903760032 584897786 /nfs/dbraw/zinc/89/77/86/584897786.db2.gz FGCDHMMMKQDGSY-MCIONIFRSA-N 2 0 269.389 -0.195 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903770832 584898379 /nfs/dbraw/zinc/89/83/79/584898379.db2.gz ZDFLBTPQJDSCNK-UONOGXRCSA-N 3 0 271.405 -0.077 20 0 CBADRP C[N@H+](CCOCC[NH3+])C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903769920 584898391 /nfs/dbraw/zinc/89/83/91/584898391.db2.gz RLPIBRBRIZVEDV-OLZOCXBDSA-N 3 0 257.378 -0.338 20 0 CBADRP C[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000903770044 584898416 /nfs/dbraw/zinc/89/84/16/584898416.db2.gz BNEGRQIUZZEHMC-OPDFLTKYSA-N 2 0 267.373 -0.049 20 0 CBADRP NS(=O)(=O)C[C@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903788181 584899760 /nfs/dbraw/zinc/89/97/60/584899760.db2.gz DSRZAIKSGUIJPZ-NEPJUHHUSA-N 2 0 275.418 -0.014 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(CN2CCNC2=O)CC1 ZINC000903823188 584900756 /nfs/dbraw/zinc/90/07/56/584900756.db2.gz CVNAKIUEUNREIT-CQSZACIVSA-N 2 0 284.404 -0.306 20 0 CBADRP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1CS(N)(=O)=O ZINC000903826910 584900919 /nfs/dbraw/zinc/90/09/19/584900919.db2.gz NPNIJNOXVHYKLA-UTUOFQBUSA-N 2 0 275.418 -0.158 20 0 CBADRP C[C@@](Cn1cccn1)([NH2+]CC1CC[NH2+]CC1)C(N)=O ZINC000903829900 584901219 /nfs/dbraw/zinc/90/12/19/584901219.db2.gz NSQJTCUAWXVWPN-ZDUSSCGKSA-N 2 0 265.361 -0.284 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1CCN1CC[NH2+]CC1 ZINC000903837061 584901602 /nfs/dbraw/zinc/90/16/02/584901602.db2.gz BEAZCUAITBDGKA-ZDUSSCGKSA-N 2 0 256.394 -0.798 20 0 CBADRP Cc1c(C[C@H](C[NH3+])CN2CCO[C@H]([C@H](C)[NH3+])C2)cnn1C ZINC000903873516 584902955 /nfs/dbraw/zinc/90/29/55/584902955.db2.gz JBEVKAVXVWNXFX-LNSITVRQSA-N 2 0 295.431 -0.106 20 0 CBADRP C[C@@H]1CN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000903873496 584902957 /nfs/dbraw/zinc/90/29/57/584902957.db2.gz IXPDEMDALKFWGI-NEPJUHHUSA-N 2 0 264.377 -0.004 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CCO1 ZINC000903874381 584903088 /nfs/dbraw/zinc/90/30/88/584903088.db2.gz ZHVCXFFVXRLDSR-SGMGOOAPSA-N 2 0 294.403 -0.249 20 0 CBADRP CC[C@H]1C(=O)NCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000903881791 584903703 /nfs/dbraw/zinc/90/37/03/584903703.db2.gz ISFZSHSBYSBMMK-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903882389 584903798 /nfs/dbraw/zinc/90/37/98/584903798.db2.gz NJXQDGKUJIIISS-NEPJUHHUSA-N 2 0 255.362 -0.715 20 0 CBADRP CC[C@@H]1C(=O)NCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000903883412 584903824 /nfs/dbraw/zinc/90/38/24/584903824.db2.gz VPTYAKFYGJUMCF-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP Cc1c(C[C@@H](C[NH3+])CN2CCO[C@H](C[NH3+])C2)cnn1C ZINC000903905623 584904377 /nfs/dbraw/zinc/90/43/77/584904377.db2.gz KBQMZWMBRZFHAV-GXTWGEPZSA-N 2 0 281.404 -0.495 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C[C@@H]([NH3+])CC(F)F ZINC000903915894 584904604 /nfs/dbraw/zinc/90/46/04/584904604.db2.gz DFCVKLXZLMZDGI-IUCAKERBSA-N 2 0 265.304 -0.194 20 0 CBADRP F[C@@H]1C[NH2+][C@H](CNCc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903918830 584904759 /nfs/dbraw/zinc/90/47/59/584904759.db2.gz JBQVYGFLSQHMOU-SRVKXCTJSA-N 2 0 282.367 -0.008 20 0 CBADRP Cc1c(C[C@@H](C[NH3+])CN2CCCO[C@H](C[NH3+])C2)cnn1C ZINC000903930271 584904765 /nfs/dbraw/zinc/90/47/65/584904765.db2.gz WDBKDTVPYBYDFR-DZGCQCFKSA-N 2 0 295.431 -0.104 20 0 CBADRP CN(CCOCC[NH3+])Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903936091 584904905 /nfs/dbraw/zinc/90/49/05/584904905.db2.gz YCLMUNKYRFFXTR-GFCCVEGCSA-N 2 0 282.392 -0.390 20 0 CBADRP C[C@@H]([NH3+])CN(C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903935479 584904928 /nfs/dbraw/zinc/90/49/28/584904928.db2.gz QIILBGUPGHQVMY-GHMZBOCLSA-N 2 0 252.366 -0.018 20 0 CBADRP CCC1([NH3+])CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000903947019 584905163 /nfs/dbraw/zinc/90/51/63/584905163.db2.gz JDKYJKMEMVYESH-UHFFFAOYSA-N 2 0 280.372 -0.213 20 0 CBADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000903969588 584905246 /nfs/dbraw/zinc/90/52/46/584905246.db2.gz HIDVPIIJHUESAJ-JHJVBQTASA-N 2 0 289.445 -0.117 20 0 CBADRP C[C@@H]1C[C@H](C[NH2+]CC[C@@H]2CNCCS2(=O)=O)CC[NH2+]1 ZINC000903970527 584905465 /nfs/dbraw/zinc/90/54/65/584905465.db2.gz YNIDDLCLELWLOA-JHJVBQTASA-N 2 0 289.445 -0.259 20 0 CBADRP CC(C)(C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC000969564359 614293016 /nfs/dbraw/zinc/29/30/16/614293016.db2.gz SEWQZSHTMJADBS-LLVKDONJSA-N 2 0 282.388 -0.463 20 0 CBADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC000970384956 614323867 /nfs/dbraw/zinc/32/38/67/614323867.db2.gz JPCRBOJRFSQZFN-CYBMUJFWSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)N1CCO[C@@H](C(=O)N2CCC[N@H+](CCO)CC2)C1 ZINC000981820662 614363599 /nfs/dbraw/zinc/36/35/99/614363599.db2.gz XPZGVUKPVFSEGA-CQSZACIVSA-N 2 0 299.415 -0.378 20 0 CBADRP CC(C)[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958593563 614396565 /nfs/dbraw/zinc/39/65/65/614396565.db2.gz AIDWFHDRESFDPV-QWHCGFSZSA-N 2 0 281.400 -0.101 20 0 CBADRP CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000972315819 615191771 /nfs/dbraw/zinc/19/17/71/615191771.db2.gz KBNQZZOHERQTKX-UKRRQHHQSA-N 2 0 297.399 -0.360 20 0 CBADRP CC[C@@H](C(=O)N1CCC[N@H+](CCO)CC1)[NH+](C)C ZINC000981973475 615369876 /nfs/dbraw/zinc/36/98/76/615369876.db2.gz KDJKVLPEOOYAFC-LBPRGKRZSA-N 2 0 257.378 -0.147 20 0 CBADRP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961284359 615440382 /nfs/dbraw/zinc/44/03/82/615440382.db2.gz TTYAAEUDFPKJBY-CCTQGRIMSA-N 2 0 291.395 -0.084 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1)[NH+](C)C ZINC000969077272 615602761 /nfs/dbraw/zinc/60/27/61/615602761.db2.gz ODLZMICSSPVUSO-CHWSQXEVSA-N 2 0 294.403 -0.191 20 0 CBADRP CN(C(=O)C[NH+]1CCCC1)C1CCC([NH2+]CC(N)=O)CC1 ZINC000964392351 615814575 /nfs/dbraw/zinc/81/45/75/615814575.db2.gz MLGRBTCJBXZBJW-UHFFFAOYSA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H]([NH2+]CCO)C2)n1 ZINC000968718875 615917275 /nfs/dbraw/zinc/91/72/75/615917275.db2.gz CQSDZLPHKFGWRT-GFCCVEGCSA-N 2 0 295.387 -0.759 20 0 CBADRP CN(CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000971802102 616054176 /nfs/dbraw/zinc/05/41/76/616054176.db2.gz YTGYAJNGRRUBNV-VXGBXAGGSA-N 2 0 282.388 -0.511 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000969626249 616183324 /nfs/dbraw/zinc/18/33/24/616183324.db2.gz GRWWAVIIZKDJGD-UPJWGTAASA-N 2 0 294.399 -0.450 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](CCO)CC1 ZINC000980839316 616191542 /nfs/dbraw/zinc/19/15/42/616191542.db2.gz DLKQVGRHKKNVFC-GFCCVEGCSA-N 2 0 255.362 -0.393 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000969595030 616192301 /nfs/dbraw/zinc/19/23/01/616192301.db2.gz KVAPRZWVTHZNEK-IJLUTSLNSA-N 2 0 280.372 -0.840 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000977926428 616211610 /nfs/dbraw/zinc/21/16/10/616211610.db2.gz AMWGNDAWAVDROR-RVMXOQNASA-N 2 0 267.373 -0.633 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000962308195 616269601 /nfs/dbraw/zinc/26/96/01/616269601.db2.gz OIEPYUSAFOSQLU-CIQGVGRVSA-N 2 0 267.373 -0.633 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC2CC3(C2)CC([NH2+]CC(N)=O)C3)C1 ZINC000965912694 616367841 /nfs/dbraw/zinc/36/78/41/616367841.db2.gz QOMDWIFGLXPQQW-ZWESNROVSA-N 2 0 294.399 -0.560 20 0 CBADRP CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC000962558169 616380522 /nfs/dbraw/zinc/38/05/22/616380522.db2.gz UJKYHWMDVCIDDM-CIQGVGRVSA-N 2 0 294.399 -0.927 20 0 CBADRP C[N@H+](CCO)[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000972733790 616388868 /nfs/dbraw/zinc/38/88/68/616388868.db2.gz RZIBBHDTALQNHU-CHWSQXEVSA-N 2 0 269.389 -0.147 20 0 CBADRP CN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC000970717956 616418092 /nfs/dbraw/zinc/41/80/92/616418092.db2.gz PPQUMLCZJOTTDX-OLZOCXBDSA-N 2 0 294.399 -0.497 20 0 CBADRP COCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374808 616442589 /nfs/dbraw/zinc/44/25/89/616442589.db2.gz OOZNJJCYWFFXOP-UONOGXRCSA-N 2 0 299.415 -0.617 20 0 CBADRP COCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374806 616450560 /nfs/dbraw/zinc/45/05/60/616450560.db2.gz OOZNJJCYWFFXOP-KBPBESRZSA-N 2 0 299.415 -0.617 20 0 CBADRP COCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958590955 616457980 /nfs/dbraw/zinc/45/79/80/616457980.db2.gz DCXVTVAKLHQFGL-OLZOCXBDSA-N 2 0 297.399 -0.863 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948039943 616622997 /nfs/dbraw/zinc/62/29/97/616622997.db2.gz LQVAJVGXWXROQT-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH2+]CC1(C)C ZINC000311035520 656144645 /nfs/dbraw/zinc/14/46/45/656144645.db2.gz OBHSYTNBGXABKU-LBPRGKRZSA-N 2 0 259.394 -0.391 20 0 CBADRP CC[NH+]1CCC(CNC(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000702419489 656180920 /nfs/dbraw/zinc/18/09/20/656180920.db2.gz GZOJBCSGGFCYRW-LBPRGKRZSA-N 2 0 256.394 -0.277 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NC[C@@H]1CC[NH+]1C ZINC000916331519 657772406 /nfs/dbraw/zinc/77/24/06/657772406.db2.gz OTBOKSCJUFDOAK-NSHDSACASA-N 2 0 258.366 -0.432 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923673672 658393730 /nfs/dbraw/zinc/39/37/30/658393730.db2.gz LUNAMVVNYZZJGQ-OUAUKWLOSA-N 2 0 261.391 -0.487 20 0 CBADRP CN(C1(C[NH3+])CCCCC1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923675647 658394155 /nfs/dbraw/zinc/39/41/55/658394155.db2.gz YDWNNOJNLPRLQF-UHFFFAOYSA-N 2 0 290.433 -0.270 20 0 CBADRP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CCOCCO ZINC000922108518 657996425 /nfs/dbraw/zinc/99/64/25/657996425.db2.gz JTNIMDAZNAMRKG-UHFFFAOYSA-N 2 0 285.388 -0.861 20 0 CBADRP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CCOCCO ZINC000922119618 658001792 /nfs/dbraw/zinc/00/17/92/658001792.db2.gz VBICERPEJGQCNB-ZDUSSCGKSA-N 2 0 287.404 -0.472 20 0 CBADRP C[NH+](C)CCOCCNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000922145232 658008401 /nfs/dbraw/zinc/00/84/01/658008401.db2.gz RCLPXAQUCOCZJT-LLVKDONJSA-N 2 0 258.366 -0.432 20 0 CBADRP C[NH2+]CCN(C(C)C)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923677081 658395191 /nfs/dbraw/zinc/39/51/91/658395191.db2.gz QDLINSNLZOQBJL-NSHDSACASA-N 2 0 263.407 -0.002 20 0 CBADRP O=S(=O)(NC[C@@H]1C[NH2+]CCC1(F)F)C1C[NH2+]C1 ZINC000923674631 658395641 /nfs/dbraw/zinc/39/56/41/658395641.db2.gz SLBFFELMMDDATA-ZETCQYMHSA-N 2 0 269.317 -0.878 20 0 CBADRP CN(Cc1ccc(F)cc1)C(=O)CNC(C[NH3+])C[NH3+] ZINC000923351476 658224020 /nfs/dbraw/zinc/22/40/20/658224020.db2.gz ILRZFNZJHSBELN-UHFFFAOYSA-N 2 0 268.336 -0.340 20 0 CBADRP Cc1ccccc1C[C@@H](C)NC(=O)CNC(C[NH3+])C[NH3+] ZINC000923351121 658224902 /nfs/dbraw/zinc/22/49/02/658224902.db2.gz GUYUJBXCFPMFIO-GFCCVEGCSA-N 2 0 278.400 -0.082 20 0 CBADRP [NH3+]CC(C[NH3+])N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000923351865 658225349 /nfs/dbraw/zinc/22/53/49/658225349.db2.gz OUAVPMZQDYINQR-LLVKDONJSA-N 2 0 284.310 -0.054 20 0 CBADRP [NH3+]CC(C[NH3+])N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000923351866 658225890 /nfs/dbraw/zinc/22/58/90/658225890.db2.gz OUAVPMZQDYINQR-NSHDSACASA-N 2 0 284.310 -0.054 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH2+]C[C@H]1C(F)F ZINC000923352614 658225926 /nfs/dbraw/zinc/22/59/26/658225926.db2.gz PFNJTEANGKFHQI-MNOVXSKESA-N 2 0 281.347 -0.536 20 0 CBADRP CC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923378256 658245285 /nfs/dbraw/zinc/24/52/85/658245285.db2.gz TVHSRMOIEJOWSL-MJBXVCDLSA-N 2 0 296.415 -0.023 20 0 CBADRP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923453335 658287339 /nfs/dbraw/zinc/28/73/39/658287339.db2.gz ALGOFMXYPVZVPG-MNOVXSKESA-N 2 0 298.387 -0.340 20 0 CBADRP C[C@H]1C[N@H+](CCS(=O)(=O)N(C)C)CC[C@H]1C[NH3+] ZINC000923488405 658304329 /nfs/dbraw/zinc/30/43/29/658304329.db2.gz FLMRTBXMZROAJU-QWRGUYRKSA-N 2 0 263.407 -0.206 20 0 CBADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923486321 658305962 /nfs/dbraw/zinc/30/59/62/658305962.db2.gz PJIGHCYWJGTTOV-UPJWGTAASA-N 2 0 296.415 -0.231 20 0 CBADRP NS(=O)(=O)C[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000923531086 658315077 /nfs/dbraw/zinc/31/50/77/658315077.db2.gz NTHFJFJRWKSOKQ-NEPJUHHUSA-N 2 0 275.418 -0.014 20 0 CBADRP NC(=O)C12CCC(CC1)[N@@H+]2C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000923531715 658315831 /nfs/dbraw/zinc/31/58/31/658315831.db2.gz SRHSOZWSASUQKU-IQLKVPPVSA-N 2 0 265.357 -0.010 20 0 CBADRP CN(C)c1cc[nH+]c(CNS(=O)(=O)C2C[NH2+]C2)c1 ZINC000923678363 658398012 /nfs/dbraw/zinc/39/80/12/658398012.db2.gz WZQRVYMWRIQGOX-UHFFFAOYSA-N 2 0 270.358 -0.461 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)C1C[NH2+]C1 ZINC000923619596 658354098 /nfs/dbraw/zinc/35/40/98/658354098.db2.gz XTXLNIPBKNBRDX-ONGXEEELSA-N 2 0 261.391 -0.440 20 0 CBADRP O=S(=O)(NC[C@]12CCC[C@H]1[NH2+]CC2)N1CC[NH2+]CC1 ZINC000923680915 658398144 /nfs/dbraw/zinc/39/81/44/658398144.db2.gz VARILUCYCGWIGR-VXGBXAGGSA-N 2 0 288.417 -0.742 20 0 CBADRP CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923622238 658359033 /nfs/dbraw/zinc/35/90/33/658359033.db2.gz WDTHBTPGMLOQJO-NSHDSACASA-N 2 0 275.418 -0.048 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923623204 658359271 /nfs/dbraw/zinc/35/92/71/658359271.db2.gz YCFUWRCREGPNRV-SNVBAGLBSA-N 2 0 261.391 -0.438 20 0 CBADRP CC(C)[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC000923637154 658369009 /nfs/dbraw/zinc/36/90/09/658369009.db2.gz UOJNSDZFUQDZGZ-LLVKDONJSA-N 2 0 276.406 -0.934 20 0 CBADRP [NH3+]C[C@@H](NS(=O)(=O)N1CC[NH2+]CC1)C1CCCC1 ZINC000923637641 658369172 /nfs/dbraw/zinc/36/91/72/658369172.db2.gz RMPMVXAIOPIQRI-LLVKDONJSA-N 2 0 276.406 -0.757 20 0 CBADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000923641139 658371364 /nfs/dbraw/zinc/37/13/64/658371364.db2.gz KDAVTMJZCGRMEL-MXWKQRLJSA-N 2 0 259.375 -0.638 20 0 CBADRP O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC000923640764 658371447 /nfs/dbraw/zinc/37/14/47/658371447.db2.gz MGOZMJMDKAJYQQ-GHMZBOCLSA-N 2 0 273.402 -0.200 20 0 CBADRP O=S(=O)(N[C@H]1CCCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000923640908 658371496 /nfs/dbraw/zinc/37/14/96/658371496.db2.gz IXUBEVVLHXOGBV-WDEREUQCSA-N 2 0 261.391 -0.200 20 0 CBADRP CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923641876 658371702 /nfs/dbraw/zinc/37/17/02/658371702.db2.gz PWFXBUNSEYUENT-SECBINFHSA-N 2 0 264.395 -0.901 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923640834 658371857 /nfs/dbraw/zinc/37/18/57/658371857.db2.gz HUNAEPPSQBCEGR-JTQLQIEISA-N 2 0 276.406 -0.886 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923652908 658380194 /nfs/dbraw/zinc/38/01/94/658380194.db2.gz UNAQKSQSNDRGOX-GMTAPVOTSA-N 2 0 261.391 -0.120 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923655042 658381128 /nfs/dbraw/zinc/38/11/28/658381128.db2.gz LGAHJUKQKPBURH-PHIMTYICSA-N 2 0 276.406 -0.934 20 0 CBADRP [NH3+]CC12CCC(CC1)CN2S(=O)(=O)C1C[NH2+]C1 ZINC000923656209 658381337 /nfs/dbraw/zinc/38/13/37/658381337.db2.gz UHCLRMHSDZBRIV-UHFFFAOYSA-N 2 0 259.375 -0.509 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(S(=O)(=O)C3C[NH2+]C3)CC[C@@H]21 ZINC000923665645 658387070 /nfs/dbraw/zinc/38/70/70/658387070.db2.gz GABJLEDRGDTIFJ-ONGXEEELSA-N 2 0 259.375 -0.686 20 0 CBADRP C[NH+](C)C[C@@H]1NC(=O)N(CC[N@H+](C)C2CC2)C1=O ZINC000924523649 658610079 /nfs/dbraw/zinc/61/00/79/658610079.db2.gz DYHRXUZBXCHUQM-JTQLQIEISA-N 2 0 254.334 -0.437 20 0 CBADRP C[N@H+](CCO)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000925002485 658743401 /nfs/dbraw/zinc/74/34/01/658743401.db2.gz KVOZVMNWTIGZBE-UHFFFAOYSA-N 2 0 269.389 -0.097 20 0 CBADRP COC(=O)c1cn(CCN[C@H]2CCC[NH2+][C@H]2C)nn1 ZINC000925665344 658864759 /nfs/dbraw/zinc/86/47/59/658864759.db2.gz DLGLIYJHICGFJY-UWVGGRQHSA-N 2 0 267.333 -0.205 20 0 CBADRP [NH3+]C1CCN(CCN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925817734 658873824 /nfs/dbraw/zinc/87/38/24/658873824.db2.gz WFQOCFKBARWFOG-WPTOEGHWSA-N 2 0 264.417 -0.005 20 0 CBADRP [NH3+]C1CCN(CCN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925817735 658874065 /nfs/dbraw/zinc/87/40/65/658874065.db2.gz WFQOCFKBARWFOG-XSXPHNMFSA-N 2 0 264.417 -0.005 20 0 CBADRP C[C@H](CC(N)=O)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925851342 658874472 /nfs/dbraw/zinc/87/44/72/658874472.db2.gz XRLLPKKCEQWJLD-GFCCVEGCSA-N 2 0 256.394 -0.085 20 0 CBADRP CN(C)S(=O)(=O)CC[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000926460612 658903486 /nfs/dbraw/zinc/90/34/86/658903486.db2.gz UYJGEDDOOJBPLF-FOSCPWQOSA-N 2 0 275.418 -0.192 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000928448368 659024515 /nfs/dbraw/zinc/02/45/15/659024515.db2.gz NVUJOAMOXMJZQW-OLZOCXBDSA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@H]1NC(=O)N(CC[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1=O ZINC000931441243 659460750 /nfs/dbraw/zinc/46/07/50/659460750.db2.gz FMQNVVUENKPVKH-GRYCIOLGSA-N 2 0 280.372 -0.190 20 0 CBADRP C[N@@H+]1CC[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2C1 ZINC000931435394 659465840 /nfs/dbraw/zinc/46/58/40/659465840.db2.gz AFZLUPGMAVJPMG-NEPJUHHUSA-N 2 0 252.362 -0.105 20 0 CBADRP C[C@H]1NC(=O)N(CC[NH+]2CCC(O)(C[NH+](C)C)CC2)C1=O ZINC000931481559 659471229 /nfs/dbraw/zinc/47/12/29/659471229.db2.gz SQUOOXMESUCDRS-LLVKDONJSA-N 2 0 298.387 -0.685 20 0 CBADRP C[NH+](C)CC1(O)CC[NH+](C[C@H](O)C2(O)CCC2)CC1 ZINC000931479412 659471434 /nfs/dbraw/zinc/47/14/34/659471434.db2.gz QUZBMLSNFVKZKZ-LBPRGKRZSA-N 2 0 272.389 -0.349 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)COC1CC[NH+](C)CC1 ZINC000935052446 659816630 /nfs/dbraw/zinc/81/66/30/659816630.db2.gz LCBWLJIKKFTPMC-AWEZNQCLSA-N 2 0 287.404 -0.474 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000037760021 656003452 /nfs/dbraw/zinc/00/34/52/656003452.db2.gz ACUBATYKHIFXKH-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179645 656033903 /nfs/dbraw/zinc/03/39/03/656033903.db2.gz NEHCTNOJJOKYBD-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=[NH2+])NC1CC1 ZINC000066246634 656036349 /nfs/dbraw/zinc/03/63/49/656036349.db2.gz XYOCRRJPRTZXQX-GFCCVEGCSA-N 2 0 281.404 -0.004 20 0 CBADRP C[NH+](C)[C@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000091393177 656057360 /nfs/dbraw/zinc/05/73/60/656057360.db2.gz IYTHVMVMXGZDMR-NSHDSACASA-N 2 0 276.406 -0.838 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000091668053 656058870 /nfs/dbraw/zinc/05/88/70/656058870.db2.gz YGXYLVYDNANMPE-RWMBFGLXSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)CC[C@@H]1C[NH3+] ZINC000122305240 656066471 /nfs/dbraw/zinc/06/64/71/656066471.db2.gz MFZNCADMCQOQMV-VXGBXAGGSA-N 2 0 255.362 -0.238 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000167410265 656081264 /nfs/dbraw/zinc/08/12/64/656081264.db2.gz PJSSIDCAGCIGIA-LLVKDONJSA-N 2 0 268.361 -0.900 20 0 CBADRP CN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[C@@H]1CC[NH2+]C1 ZINC000179085870 656089983 /nfs/dbraw/zinc/08/99/83/656089983.db2.gz KFEVLSVVUUJQHM-NWDGAFQWSA-N 2 0 282.388 -0.783 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000225446238 656106656 /nfs/dbraw/zinc/10/66/56/656106656.db2.gz AIJARCWTQUZDEO-DTWKUNHWSA-N 2 0 283.294 -0.304 20 0 CBADRP Cn1cc(CC[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cn1 ZINC000226419343 656107290 /nfs/dbraw/zinc/10/72/90/656107290.db2.gz SOTVKUXUFSLUDS-ZDUSSCGKSA-N 2 0 279.388 -0.251 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000228190619 656109778 /nfs/dbraw/zinc/10/97/78/656109778.db2.gz XIEOLCCIOBMCKA-IHRRRGAJSA-N 2 0 299.415 -0.426 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NC2CCC([NH3+])CC2)CC1=O ZINC000237161873 656116322 /nfs/dbraw/zinc/11/63/22/656116322.db2.gz YCZKRIVMQSJNHW-PNESKVBLSA-N 2 0 296.415 -0.217 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250483053 656122053 /nfs/dbraw/zinc/12/20/53/656122053.db2.gz XIEOLCCIOBMCKA-BFHYXJOUSA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000251078965 656122666 /nfs/dbraw/zinc/12/26/66/656122666.db2.gz HDFLOFIZVCCJGR-RWMBFGLXSA-N 2 0 269.389 -0.053 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261602796 656125104 /nfs/dbraw/zinc/12/51/04/656125104.db2.gz QNUBYWUDULDECB-JTQLQIEISA-N 2 0 268.361 -0.094 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000261885105 656127001 /nfs/dbraw/zinc/12/70/01/656127001.db2.gz SHUSRQJBUQCEPJ-VXGBXAGGSA-N 2 0 255.362 -0.096 20 0 CBADRP C[NH+]1CCN(c2cc(C(=O)NCC3C[NH2+]C3)ccn2)CC1 ZINC000261930391 656127930 /nfs/dbraw/zinc/12/79/30/656127930.db2.gz CSQUBUKQXYVUKO-UHFFFAOYSA-N 2 0 289.383 -0.217 20 0 CBADRP CC(C)CC[NH+]1CCC(CNC(=O)CNC(=O)C[NH3+])CC1 ZINC000262392909 656132486 /nfs/dbraw/zinc/13/24/86/656132486.db2.gz MMEJONZAKWUAKE-UHFFFAOYSA-N 2 0 298.431 -0.064 20 0 CBADRP COCCOC[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000306081372 656141851 /nfs/dbraw/zinc/14/18/51/656141851.db2.gz IIFONGNEVZBLHM-QWHCGFSZSA-N 2 0 258.362 -0.304 20 0 CBADRP O[C@H](C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)C(F)(F)F ZINC000310750218 656144332 /nfs/dbraw/zinc/14/43/32/656144332.db2.gz KSLVKRJXAXNPIT-VHSXEESVSA-N 2 0 267.295 -0.111 20 0 CBADRP CO[C@H]1COCC[C@@H]1[N@H+](C)CCN1CC[NH2+]CC1 ZINC000310863054 656144454 /nfs/dbraw/zinc/14/44/54/656144454.db2.gz OHVFWYFQPKRIFF-STQMWFEESA-N 2 0 257.378 -0.373 20 0 CBADRP COCCN(C)C[C@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000311147037 656145406 /nfs/dbraw/zinc/14/54/06/656145406.db2.gz MHDQMGMBJFHZGU-ZDUSSCGKSA-N 2 0 259.394 -0.404 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000311156406 656145836 /nfs/dbraw/zinc/14/58/36/656145836.db2.gz OMAZSBGVGVMAAF-XQQFMLRXSA-N 2 0 259.394 -0.392 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000311972171 656146056 /nfs/dbraw/zinc/14/60/56/656146056.db2.gz BIXJAZQRVLOYMD-MELADBBJSA-N 2 0 271.405 -0.391 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000311855241 656146137 /nfs/dbraw/zinc/14/61/37/656146137.db2.gz POEYJYUIEUWMOQ-ZDUSSCGKSA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000702354425 656179906 /nfs/dbraw/zinc/17/99/06/656179906.db2.gz YAFACFWHICXMDY-RYUDHWBXSA-N 2 0 256.394 -0.182 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000702421351 656180469 /nfs/dbraw/zinc/18/04/69/656180469.db2.gz OGMMMIGQRIWVDT-PWSUYJOCSA-N 2 0 254.378 -0.524 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000702422899 656180611 /nfs/dbraw/zinc/18/06/11/656180611.db2.gz UQEFJKQHUIPZOO-NEPJUHHUSA-N 2 0 254.378 -0.428 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000702422903 656180687 /nfs/dbraw/zinc/18/06/87/656180687.db2.gz UQEFJKQHUIPZOO-RYUDHWBXSA-N 2 0 254.378 -0.428 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000702417777 656180779 /nfs/dbraw/zinc/18/07/79/656180779.db2.gz OFBATDBPEQXVSR-STQMWFEESA-N 2 0 268.405 -0.038 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000702424633 656181349 /nfs/dbraw/zinc/18/13/49/656181349.db2.gz YUHICNJDFGGKLF-LBPRGKRZSA-N 2 0 254.378 -0.428 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H](N)C[NH+](C)C ZINC000702433002 656181505 /nfs/dbraw/zinc/18/15/05/656181505.db2.gz YNSIZVJJZWZEMS-LBPRGKRZSA-N 2 0 258.410 -0.079 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000702427205 656181636 /nfs/dbraw/zinc/18/16/36/656181636.db2.gz FHEWPSFFLIYPNF-RYUDHWBXSA-N 2 0 256.394 -0.182 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(S(=O)(=O)[C@H]3CCC[NH2+]C3)C[C@]2(C)C1 ZINC000702469886 656181652 /nfs/dbraw/zinc/18/16/52/656181652.db2.gz IZWCSUPNEJNXDO-AGIUHOORSA-N 2 0 287.429 -0.048 20 0 CBADRP C[N@@H+]1CC[C@](O)(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000702575139 656181954 /nfs/dbraw/zinc/18/19/54/656181954.db2.gz WGKRMTBKKVQMGE-QQKNPXLJSA-N 2 0 251.374 -0.361 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH2+]C[C@@H]1C(C)C ZINC000704595816 656184823 /nfs/dbraw/zinc/18/48/23/656184823.db2.gz NKFKHOFVCWNYRW-ZIAGYGMSSA-N 2 0 273.421 -0.145 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)[NH3+])C[C@H]1C[NH+](C)C ZINC000705909093 656187495 /nfs/dbraw/zinc/18/74/95/656187495.db2.gz BDYWJUAKIMWCBS-VXGBXAGGSA-N 3 0 270.421 -0.079 20 0 CBADRP COC(OC)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000706036431 656187767 /nfs/dbraw/zinc/18/77/67/656187767.db2.gz XLTOLVJHQPOFTQ-VXGBXAGGSA-N 2 0 287.404 -0.197 20 0 CBADRP C[NH+](C)CC1(O)CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000710571783 656198638 /nfs/dbraw/zinc/19/86/38/656198638.db2.gz WFFORQQALXXAPF-CQSZACIVSA-N 2 0 285.432 -0.168 20 0 CBADRP COC[C@@]1(C(=O)NCC[C@@H](C)[NH+](C)C)C[NH2+]CCO1 ZINC000710704854 656199796 /nfs/dbraw/zinc/19/97/96/656199796.db2.gz WYKASHKBCUTYOA-DGCLKSJQSA-N 2 0 273.377 -0.552 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H](C)[NH+](C)C)C[NH2+]CCO1 ZINC000710711164 656199964 /nfs/dbraw/zinc/19/99/64/656199964.db2.gz NHSFZKYQELAYPB-PWSUYJOCSA-N 2 0 259.350 -0.942 20 0 CBADRP COC[C@@]1(C(=O)NCC[C@H](C)[NH+](C)C)C[NH2+]CCO1 ZINC000710704856 656200078 /nfs/dbraw/zinc/20/00/78/656200078.db2.gz WYKASHKBCUTYOA-WCQYABFASA-N 2 0 273.377 -0.552 20 0 CBADRP COC[C@]1(C(=O)NC2CCC([NH3+])CC2)C[NH2+]CCO1 ZINC000710755726 656200721 /nfs/dbraw/zinc/20/07/21/656200721.db2.gz QEGZROLOZRIIES-XIVSLSHWSA-N 2 0 271.361 -0.623 20 0 CBADRP COC[C@]1(C(=O)N2CCC[N@H+](C)CC2)C[NH2+]CCO1 ZINC000710756613 656200838 /nfs/dbraw/zinc/20/08/38/656200838.db2.gz YVRBVXYODVHDNZ-ZDUSSCGKSA-N 2 0 271.361 -0.845 20 0 CBADRP COC[C@@]1(C(=O)NC2CCC([NH3+])CC2)C[NH2+]CCO1 ZINC000710755725 656200964 /nfs/dbraw/zinc/20/09/64/656200964.db2.gz QEGZROLOZRIIES-GCZXYKMCSA-N 2 0 271.361 -0.623 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C[NH2+]CCO1 ZINC000710784233 656201370 /nfs/dbraw/zinc/20/13/70/656201370.db2.gz QGEKEUBNVKGTBM-MBNYWOFBSA-N 2 0 283.372 -0.656 20 0 CBADRP COC[C@@]1(C(=O)NCC(C)(C)[NH+](C)C)C[NH2+]CCO1 ZINC000710840005 656204665 /nfs/dbraw/zinc/20/46/65/656204665.db2.gz WLUAQGXODAXILJ-CYBMUJFWSA-N 2 0 273.377 -0.552 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000713426156 656212702 /nfs/dbraw/zinc/21/27/02/656212702.db2.gz UIUTUTNEZSMBLY-KYEXWDHISA-N 2 0 278.400 -0.380 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1(F)F ZINC000715094849 656218687 /nfs/dbraw/zinc/21/86/87/656218687.db2.gz PFLNIGNLIJXKGM-GWOFURMSSA-N 2 0 289.326 -0.194 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715579874 656220243 /nfs/dbraw/zinc/22/02/43/656220243.db2.gz RPFXPEGQROWMEQ-SRVKXCTJSA-N 2 0 256.394 -0.136 20 0 CBADRP O=C(N[C@@H]1CCC[N@@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC000715842058 656220953 /nfs/dbraw/zinc/22/09/53/656220953.db2.gz FCWFYNUZFQSHKW-GFCCVEGCSA-N 2 0 267.373 -0.345 20 0 CBADRP O=C(N1CCC[C@@H]([NH2+]CCO)C1)C12CC[NH+](CC1)C2 ZINC000715867404 656220990 /nfs/dbraw/zinc/22/09/90/656220990.db2.gz ZBICFENDWHCCEU-GFCCVEGCSA-N 2 0 267.373 -0.345 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)c1c(C[NH3+])cnn1C ZINC000719256313 656234719 /nfs/dbraw/zinc/23/47/19/656234719.db2.gz LKMALLPFWOVBIZ-VIFPVBQESA-N 2 0 253.350 -0.051 20 0 CBADRP CC[NH+](CC)CCNC(=O)c1c(C[NH3+])cnn1C ZINC000719255891 656234776 /nfs/dbraw/zinc/23/47/76/656234776.db2.gz IFOFRNWWTGAXAX-UHFFFAOYSA-N 2 0 253.350 -0.050 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C[C@@H]1C[NH2+]CCO1)C2 ZINC000877379064 656246280 /nfs/dbraw/zinc/24/62/80/656246280.db2.gz CKEDEOBTUJUBKL-DMDPSCGWSA-N 2 0 253.346 -0.567 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884797754 656255596 /nfs/dbraw/zinc/25/55/96/656255596.db2.gz XAEHUHAMVBTOOI-QJPTWQEYSA-N 2 0 282.388 -0.737 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC[C@H]21 ZINC000885192862 656260173 /nfs/dbraw/zinc/26/01/73/656260173.db2.gz KLJVVFVYTPKPMG-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000892453444 656271354 /nfs/dbraw/zinc/27/13/54/656271354.db2.gz JNJAHANBZXLOSE-MBHSVXNSSA-N 2 0 282.388 -0.282 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000892453443 656271412 /nfs/dbraw/zinc/27/14/12/656271412.db2.gz JNJAHANBZXLOSE-LXVYMNJGSA-N 2 0 282.388 -0.282 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000892439267 656271565 /nfs/dbraw/zinc/27/15/65/656271565.db2.gz MHZXZICIAOUBJP-OBJOEFQTSA-N 2 0 284.404 -0.130 20 0 CBADRP Cn1cc(CN2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c(=O)n(C)c1=O ZINC000897621517 656294418 /nfs/dbraw/zinc/29/44/18/656294418.db2.gz FXIVOKCOCPSANM-DOMZBBRYSA-N 2 0 292.383 -0.533 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(C(C)(C)CO)CC1 ZINC000901227938 656317499 /nfs/dbraw/zinc/31/74/99/656317499.db2.gz JRDGBDGDFUZJQL-IUODEOHRSA-N 2 0 299.415 -0.643 20 0 CBADRP CS(=O)(=O)NC[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904301466 656324151 /nfs/dbraw/zinc/32/41/51/656324151.db2.gz IRTRUGZEGFAKSH-UTUOFQBUSA-N 2 0 275.418 -0.015 20 0 CBADRP [NH3+][C@H]1C[C@@H](C[N@H+](CCO)CCN2CCOCC2)C1 ZINC000904313719 656324648 /nfs/dbraw/zinc/32/46/48/656324648.db2.gz YNEAVFLQTCXPIM-BETUJISGSA-N 2 0 257.378 -0.650 20 0 CBADRP [NH3+]CCN1CCC([NH2+]CC(=O)NCC(F)(F)F)CC1 ZINC000904360251 656324824 /nfs/dbraw/zinc/32/48/24/656324824.db2.gz YLSIOZPWULQPAR-UHFFFAOYSA-N 2 0 282.310 -0.322 20 0 CBADRP Cn1cc(N2CC[C@H]([NH2+]C[C@H]3C[C@@H]([NH3+])C3)C2=O)cn1 ZINC000904363158 656324940 /nfs/dbraw/zinc/32/49/40/656324940.db2.gz CXNVAEIQCJSLAO-UMNHJUIQSA-N 2 0 263.345 -0.148 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904326504 656325044 /nfs/dbraw/zinc/32/50/44/656325044.db2.gz LBDAMRJXGOHUAP-HZSPNIEDSA-N 3 0 280.416 -0.038 20 0 CBADRP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343238 656325325 /nfs/dbraw/zinc/32/53/25/656325325.db2.gz RAHPURVZDNSUBA-AXFHLTTASA-N 2 0 261.391 -0.263 20 0 CBADRP CN(Cc1ccc(N2CC[NH2+]CC2)o1)C[C@@H](O)C[NH3+] ZINC000904358548 656325355 /nfs/dbraw/zinc/32/53/55/656325355.db2.gz PARCPWQANBTPGR-NSHDSACASA-N 2 0 268.361 -0.559 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904326505 656325446 /nfs/dbraw/zinc/32/54/46/656325446.db2.gz LBDAMRJXGOHUAP-MJBXVCDLSA-N 3 0 280.416 -0.038 20 0 CBADRP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H]1CS(N)(=O)=O ZINC000904461423 656327437 /nfs/dbraw/zinc/32/74/37/656327437.db2.gz AQUUITUICRSMAF-WOPDTQHZSA-N 2 0 275.418 -0.158 20 0 CBADRP CC[N@H+](CCC(=O)NC)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000904470639 656328581 /nfs/dbraw/zinc/32/85/81/656328581.db2.gz ZYKUTFKFTDBQSH-GFCCVEGCSA-N 2 0 284.404 -0.358 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000904957978 656330509 /nfs/dbraw/zinc/33/05/09/656330509.db2.gz GXYDMFXUHQVUKP-RYUDHWBXSA-N 2 0 298.431 -0.019 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000904957976 656330573 /nfs/dbraw/zinc/33/05/73/656330573.db2.gz GXYDMFXUHQVUKP-NEPJUHHUSA-N 2 0 298.431 -0.019 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000904959238 656330596 /nfs/dbraw/zinc/33/05/96/656330596.db2.gz KUTPYTBISDZXMV-GFCCVEGCSA-N 2 0 298.431 -0.018 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1 ZINC000904958462 656330621 /nfs/dbraw/zinc/33/06/21/656330621.db2.gz GRZPVCFHWVNCTK-SLEUVZQESA-N 2 0 294.399 -0.783 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000904955765 656330698 /nfs/dbraw/zinc/33/06/98/656330698.db2.gz FEXPQNCPSUXNDO-UHFFFAOYSA-N 2 0 284.404 -0.536 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000905002641 656332348 /nfs/dbraw/zinc/33/23/48/656332348.db2.gz UIJNAJULASIROG-IUODEOHRSA-N 2 0 296.415 -0.264 20 0 CBADRP COCC[N@H+](C)CCC[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905036306 656335499 /nfs/dbraw/zinc/33/54/99/656335499.db2.gz QYQSQBYWJJKUGV-GFCCVEGCSA-N 2 0 260.378 -0.180 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C[C@H](O)C2(O)CCC2)C1 ZINC000905081573 656337143 /nfs/dbraw/zinc/33/71/43/656337143.db2.gz IGSKDKHIRLGVEL-OLZOCXBDSA-N 2 0 299.415 -0.561 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905094512 656337726 /nfs/dbraw/zinc/33/77/26/656337726.db2.gz GFLJCTOWDIYLJK-KBPBESRZSA-N 2 0 285.432 -0.122 20 0 CBADRP CC(C)[C@@H]([NH3+])CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905330247 656349327 /nfs/dbraw/zinc/34/93/27/656349327.db2.gz REJIULQAZNJZTE-NSHDSACASA-N 2 0 263.407 -0.111 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)CC3CC[NH2+]CC3)C[C@@H]12 ZINC000905342696 656350746 /nfs/dbraw/zinc/35/07/46/656350746.db2.gz KEFGIOULECJJBZ-JHJVBQTASA-N 2 0 287.429 -0.015 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000905344997 656351058 /nfs/dbraw/zinc/35/10/58/656351058.db2.gz SRKQCQLNYDWHKE-LBPRGKRZSA-N 2 0 291.417 -0.716 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905344970 656351189 /nfs/dbraw/zinc/35/11/89/656351189.db2.gz RZTORUUGZIPTST-RYUDHWBXSA-N 2 0 293.408 -0.052 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000905359053 656352926 /nfs/dbraw/zinc/35/29/26/656352926.db2.gz KKUUATIAAPZBJT-QWRGUYRKSA-N 2 0 259.375 -0.638 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)CC1CC[NH2+]CC1)C2 ZINC000905360395 656353618 /nfs/dbraw/zinc/35/36/18/656353618.db2.gz SYAMFNKYVWWLII-QWHCGFSZSA-N 2 0 287.429 -0.143 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1CCCN(CCN2CCOCC2)C1 ZINC000905448043 656357627 /nfs/dbraw/zinc/35/76/27/656357627.db2.gz WZDROVNQQAFMKY-KGLIPLIRSA-N 2 0 271.405 -0.247 20 0 CBADRP CCN1CC[C@@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000905443004 656357657 /nfs/dbraw/zinc/35/76/57/656357657.db2.gz XERHGXUEPZWYBG-KGLIPLIRSA-N 2 0 270.421 -0.722 20 0 CBADRP C[C@H](O)C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000905448044 656357665 /nfs/dbraw/zinc/35/76/65/656357665.db2.gz WZDROVNQQAFMKY-UONOGXRCSA-N 2 0 271.405 -0.247 20 0 CBADRP CCN1CCC[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1=O ZINC000905549819 656361505 /nfs/dbraw/zinc/36/15/05/656361505.db2.gz HCQVCGLJBPWRJP-ZIAGYGMSSA-N 2 0 298.431 -0.805 20 0 CBADRP CCC[C@@H](O)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000905585822 656362397 /nfs/dbraw/zinc/36/23/97/656362397.db2.gz BIKONYAPNNZQQT-KGLIPLIRSA-N 2 0 273.421 -0.265 20 0 CBADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H](O)CO ZINC000905710108 656366716 /nfs/dbraw/zinc/36/67/16/656366716.db2.gz SXXTYZZDUCYMFE-ZIAGYGMSSA-N 2 0 268.357 -0.578 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000906583105 656392738 /nfs/dbraw/zinc/39/27/38/656392738.db2.gz BSZXYNOHAKUTNA-CYBMUJFWSA-N 2 0 268.405 -0.310 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC000906692140 656398068 /nfs/dbraw/zinc/39/80/68/656398068.db2.gz IXJSSCLGGISWGD-CYBMUJFWSA-N 2 0 282.432 -0.110 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000906872592 656403836 /nfs/dbraw/zinc/40/38/36/656403836.db2.gz MFPKSCHZIZFBNJ-ZDUSSCGKSA-N 2 0 282.432 -0.062 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000906895022 656405780 /nfs/dbraw/zinc/40/57/80/656405780.db2.gz GNHDHXJTZATISZ-UHFFFAOYSA-N 2 0 268.405 -0.310 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000996610784 656446498 /nfs/dbraw/zinc/44/64/98/656446498.db2.gz KNKOKGMNNXWRPB-NEPJUHHUSA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1)C(N)=O ZINC000996679111 656451394 /nfs/dbraw/zinc/45/13/94/656451394.db2.gz PXWQTQWEJCNNHI-MFKMUULPSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1)C(N)=O ZINC000996723367 656454617 /nfs/dbraw/zinc/45/46/17/656454617.db2.gz MAOPKGOLEDGFJK-YPMHNXCESA-N 2 0 296.415 -0.075 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000997005577 656463508 /nfs/dbraw/zinc/46/35/08/656463508.db2.gz ISFSKNFEMOVUOV-UHFFFAOYSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997361605 656474223 /nfs/dbraw/zinc/47/42/23/656474223.db2.gz WQVGFHFYAXFNEW-VXGBXAGGSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2cnc[nH]2)[C@@H](C)C1 ZINC000907515313 656518278 /nfs/dbraw/zinc/51/82/78/656518278.db2.gz AUDMVWDPOGFMOQ-QWRGUYRKSA-N 2 0 266.345 -0.134 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2cnc[nH]2)[C@@H](C)C1 ZINC000907515314 656518431 /nfs/dbraw/zinc/51/84/31/656518431.db2.gz AUDMVWDPOGFMOQ-WDEREUQCSA-N 2 0 266.345 -0.134 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCN1CCCOCC1 ZINC000907614409 656541046 /nfs/dbraw/zinc/54/10/46/656541046.db2.gz YCVIUQIIUVMAGO-JSGCOSHPSA-N 2 0 285.388 -0.720 20 0 CBADRP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC000999362657 656625610 /nfs/dbraw/zinc/62/56/10/656625610.db2.gz CMCAJNXFYIGMAK-LLVKDONJSA-N 2 0 282.388 -0.463 20 0 CBADRP C[NH+]1CCC(ONC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000908029504 656627988 /nfs/dbraw/zinc/62/79/88/656627988.db2.gz LWGFVAUWMXPQJS-AWEZNQCLSA-N 2 0 285.388 -0.025 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000908201956 656668119 /nfs/dbraw/zinc/66/81/19/656668119.db2.gz NNMPTVDLKCZYEE-UPJWGTAASA-N 2 0 267.373 -0.252 20 0 CBADRP CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001000105734 656691155 /nfs/dbraw/zinc/69/11/55/656691155.db2.gz RRTRBOZRJUZMDK-WCQYABFASA-N 2 0 284.404 -0.362 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001000686149 656759170 /nfs/dbraw/zinc/75/91/70/656759170.db2.gz ALXIIRDLWDIYGN-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001000687716 656759328 /nfs/dbraw/zinc/75/93/28/656759328.db2.gz HMPKOMLQPDHLNQ-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001000686151 656759942 /nfs/dbraw/zinc/75/99/42/656759942.db2.gz ALXIIRDLWDIYGN-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001000931009 656775158 /nfs/dbraw/zinc/77/51/58/656775158.db2.gz ANTXSOVLXBZEQZ-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCO)CC1 ZINC001002474153 656833839 /nfs/dbraw/zinc/83/38/39/656833839.db2.gz IOPAYMOGQCGCJI-GFCCVEGCSA-N 2 0 255.362 -0.347 20 0 CBADRP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001002475159 656835100 /nfs/dbraw/zinc/83/51/00/656835100.db2.gz KSDBALGJFUCDAV-QWHCGFSZSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001003627992 656866305 /nfs/dbraw/zinc/86/63/05/656866305.db2.gz LIDCSXSNWUBWOL-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000910930281 656903275 /nfs/dbraw/zinc/90/32/75/656903275.db2.gz IEHCIJBFJFMJRM-PWSUYJOCSA-N 2 0 255.362 -0.348 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000910930279 656904880 /nfs/dbraw/zinc/90/48/80/656904880.db2.gz IEHCIJBFJFMJRM-CMPLNLGQSA-N 2 0 255.362 -0.348 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000910975001 656916933 /nfs/dbraw/zinc/91/69/33/656916933.db2.gz BPBANGGRNHNOMD-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP CCC[NH+]1CCC(CNC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911003365 656927446 /nfs/dbraw/zinc/92/74/46/656927446.db2.gz JTFIBXNBYKJAGJ-UHFFFAOYSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC[N@@H+]1C ZINC000911007407 656927968 /nfs/dbraw/zinc/92/79/68/656927968.db2.gz JPWMHDPFOGYYNQ-UTUOFQBUSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000911007141 656928674 /nfs/dbraw/zinc/92/86/74/656928674.db2.gz HKYYNOFWUNRICE-YVECIDJPSA-N 2 0 296.415 -0.362 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000911006629 656928843 /nfs/dbraw/zinc/92/88/43/656928843.db2.gz GFRZISDEQLWCKK-WOPDTQHZSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCCCC[N@H+](C)C2CC2)C[C@H]1[NH3+] ZINC000911016584 656931716 /nfs/dbraw/zinc/93/17/16/656931716.db2.gz FMSIPMSDCFTFPB-DGCLKSJQSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911016112 656931918 /nfs/dbraw/zinc/93/19/18/656931918.db2.gz VQHHFTQMEVWAPD-NSHDSACASA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000911065697 656938603 /nfs/dbraw/zinc/93/86/03/656938603.db2.gz DOBRMUAXDKTRHO-ZWNOBZJWSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000911073051 656940699 /nfs/dbraw/zinc/94/06/99/656940699.db2.gz PTEAJJVGCWFMRK-XUJVJEKNSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000911073178 656941089 /nfs/dbraw/zinc/94/10/89/656941089.db2.gz QRCNZIZZYUWVFZ-CKYFFXLPSA-N 2 0 280.372 -0.937 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000911073049 656941363 /nfs/dbraw/zinc/94/13/63/656941363.db2.gz PTEAJJVGCWFMRK-LALPHHSUSA-N 2 0 296.415 -0.217 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000911073808 656941376 /nfs/dbraw/zinc/94/13/76/656941376.db2.gz WHSKJDKYBDAZQI-WDEREUQCSA-N 2 0 280.372 -0.711 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911079808 656941831 /nfs/dbraw/zinc/94/18/31/656941831.db2.gz PSQVBRDJDZLPHU-GHMZBOCLSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000911081303 656941977 /nfs/dbraw/zinc/94/19/77/656941977.db2.gz VUWVGEABBREOQX-FDYHWXHSSA-N 2 0 296.415 -0.301 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CCC1 ZINC000911116644 656952984 /nfs/dbraw/zinc/95/29/84/656952984.db2.gz SUZWSRDSEJUWOJ-LLVKDONJSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000911148655 656964847 /nfs/dbraw/zinc/96/48/47/656964847.db2.gz ZHXMLAOICTVRJX-HNCHTBHHSA-N 2 0 294.399 -0.548 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911185678 656976459 /nfs/dbraw/zinc/97/64/59/656976459.db2.gz BLSVEEDBZFKYLT-WUHRBBMRSA-N 2 0 296.415 -0.158 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[N@H+](C)C1CC1 ZINC000911204816 656984517 /nfs/dbraw/zinc/98/45/17/656984517.db2.gz HUNOZZPKTBXKFQ-JULQROHOSA-N 2 0 294.399 -0.406 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)[N@H+](C)C1CC1 ZINC000911206601 656984900 /nfs/dbraw/zinc/98/49/00/656984900.db2.gz QZRKEQGPPTVCKB-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911211266 656986840 /nfs/dbraw/zinc/98/68/40/656986840.db2.gz UHCGRWIIIJWTOD-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000911215678 656987609 /nfs/dbraw/zinc/98/76/09/656987609.db2.gz RCQOBBBORPEXRO-XQQFMLRXSA-N 2 0 294.399 -0.321 20 0 CBADRP C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)C1=CC[N@H+](C)CC1 ZINC000911217612 656989424 /nfs/dbraw/zinc/98/94/24/656989424.db2.gz GIDQOZIPMKHTGQ-AAEUAGOBSA-N 2 0 294.399 -0.297 20 0 CBADRP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CC1)C1=CC[N@H+](C)CC1 ZINC000911220643 656991610 /nfs/dbraw/zinc/99/16/10/656991610.db2.gz XJKSSJVWAPVMFR-SNVBAGLBSA-N 2 0 280.372 -0.640 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000911244015 656995337 /nfs/dbraw/zinc/99/53/37/656995337.db2.gz FCNHYBGJBGIXEX-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911244949 656997352 /nfs/dbraw/zinc/99/73/52/656997352.db2.gz UNYOXXJVPUCKHH-GHMZBOCLSA-N 2 0 270.377 -0.832 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911256859 656999692 /nfs/dbraw/zinc/99/96/92/656999692.db2.gz CAJTXWGMCHNLLF-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911265915 657002375 /nfs/dbraw/zinc/00/23/75/657002375.db2.gz GJQDMJBWOGKLLE-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)C[NH+]1CCCC1 ZINC000911267905 657002828 /nfs/dbraw/zinc/00/28/28/657002828.db2.gz AMEOMEZXTYAMKP-JHJVBQTASA-N 2 0 296.415 -0.441 20 0 CBADRP CC1([NH+]2CCC2)CCC(NC(=O)C(=O)NCC[NH3+])CC1 ZINC000911268545 657003384 /nfs/dbraw/zinc/00/33/84/657003384.db2.gz YIQLKZUGONNIJB-UHFFFAOYSA-N 2 0 282.388 -0.416 20 0 CBADRP CC1([NH+]2CCCC2)CCC(NC(=O)C(=O)NCC[NH3+])CC1 ZINC000911269594 657004762 /nfs/dbraw/zinc/00/47/62/657004762.db2.gz MPVCKQVECUDLRR-UHFFFAOYSA-N 2 0 296.415 -0.025 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H]1[NH3+] ZINC000911270141 657004779 /nfs/dbraw/zinc/00/47/79/657004779.db2.gz UBJKOEFZJPXYJL-FVCCEPFGSA-N 2 0 294.399 -0.465 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911270232 657005492 /nfs/dbraw/zinc/00/54/92/657005492.db2.gz JLOVBVMRNGWXOZ-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000911270835 657005593 /nfs/dbraw/zinc/00/55/93/657005593.db2.gz RXQHMFHMRUUMAU-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP O=C(N[C@H]1CCC[N@@H+](CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001007349254 657005745 /nfs/dbraw/zinc/00/57/45/657005745.db2.gz MFMVPHVINZRKPC-UONOGXRCSA-N 2 0 281.400 -0.099 20 0 CBADRP Cc1cccc(NCCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)n1 ZINC000911272676 657005843 /nfs/dbraw/zinc/00/58/43/657005843.db2.gz DSZSPMOSXPGBQN-NSHDSACASA-N 2 0 291.355 -0.604 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000911274691 657006357 /nfs/dbraw/zinc/00/63/57/657006357.db2.gz QPAHWUREPRQWMV-LBPRGKRZSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000911283272 657010359 /nfs/dbraw/zinc/01/03/59/657010359.db2.gz XZLAYYUHHJPFOF-JTQLQIEISA-N 2 0 272.393 -0.504 20 0 CBADRP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000911302329 657014873 /nfs/dbraw/zinc/01/48/73/657014873.db2.gz JXWRRZYXMVGNCM-XPCVCDNBSA-N 2 0 281.400 -0.006 20 0 CBADRP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000911302327 657015309 /nfs/dbraw/zinc/01/53/09/657015309.db2.gz JXWRRZYXMVGNCM-KYEXWDHISA-N 2 0 281.400 -0.006 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911315503 657018439 /nfs/dbraw/zinc/01/84/39/657018439.db2.gz OBJRLRRCOUHFIJ-JUFZMCDQSA-N 2 0 296.415 -0.362 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000911338294 657023103 /nfs/dbraw/zinc/02/31/03/657023103.db2.gz IQPPKPFFIMFHFB-LLVKDONJSA-N 2 0 286.420 -0.243 20 0 CBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911358959 657027251 /nfs/dbraw/zinc/02/72/51/657027251.db2.gz TYSFMAJOVYTHMD-UHFFFAOYSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000911366499 657027489 /nfs/dbraw/zinc/02/74/89/657027489.db2.gz HHMFOGKBESKUHH-VXGBXAGGSA-N 2 0 298.431 -0.243 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911374681 657030993 /nfs/dbraw/zinc/03/09/93/657030993.db2.gz MAZRGNJRVPWLAN-FRRDWIJNSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000911375258 657031041 /nfs/dbraw/zinc/03/10/41/657031041.db2.gz TXSLWDOBGDIQGF-KGYLQXTDSA-N 2 0 294.399 -0.594 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000911377616 657031910 /nfs/dbraw/zinc/03/19/10/657031910.db2.gz CFKLMJOEDLAFKO-NEPJUHHUSA-N 2 0 284.404 -0.632 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911378964 657032093 /nfs/dbraw/zinc/03/20/93/657032093.db2.gz JGYXZVUAOFOPHV-OLZOCXBDSA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000911382488 657032838 /nfs/dbraw/zinc/03/28/38/657032838.db2.gz MWTRPRCHCKQZQS-GRYCIOLGSA-N 2 0 282.388 -0.832 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000911489512 657055414 /nfs/dbraw/zinc/05/54/14/657055414.db2.gz OGXQGTZGXOHKMD-FRRDWIJNSA-N 2 0 296.415 -0.217 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911488431 657055549 /nfs/dbraw/zinc/05/55/49/657055549.db2.gz ZFQAHNRLICILDR-MNOVXSKESA-N 2 0 270.377 -0.750 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911501252 657056235 /nfs/dbraw/zinc/05/62/35/657056235.db2.gz AUYZUGFRFVCUKK-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911501254 657056763 /nfs/dbraw/zinc/05/67/63/657056763.db2.gz AUYZUGFRFVCUKK-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911502732 657057484 /nfs/dbraw/zinc/05/74/84/657057484.db2.gz HWWSRSSFMYYSNR-LLVKDONJSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCC3([NH3+])CC3)CC[C@@H]21 ZINC000911504727 657058589 /nfs/dbraw/zinc/05/85/89/657058589.db2.gz NNLPHRYTCKUBEO-NEPJUHHUSA-N 2 0 294.399 -0.463 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911504534 657058768 /nfs/dbraw/zinc/05/87/68/657058768.db2.gz KSMOKGFXHMVBML-SNVBAGLBSA-N 2 0 268.361 -0.806 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911505610 657059469 /nfs/dbraw/zinc/05/94/69/657059469.db2.gz GCYAQRHLCNPORI-UHFFFAOYSA-N 2 0 282.388 -0.558 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911505418 657059794 /nfs/dbraw/zinc/05/97/94/657059794.db2.gz CRVHFPJDWIDHQK-SNVBAGLBSA-N 2 0 282.388 -0.417 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)C[C@@H]1C ZINC000911506334 657060204 /nfs/dbraw/zinc/06/02/04/657060204.db2.gz ZQDRYWMPIOZSCZ-RYUDHWBXSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)C[C@@H]1C ZINC000911506333 657060377 /nfs/dbraw/zinc/06/03/77/657060377.db2.gz ZQDRYWMPIOZSCZ-NWDGAFQWSA-N 2 0 296.415 -0.075 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911506824 657060557 /nfs/dbraw/zinc/06/05/57/657060557.db2.gz ROIFPFIZSJHITN-JTQLQIEISA-N 2 0 268.361 -0.854 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC3([NH3+])CC3)CC[C@H]21 ZINC000911506596 657060793 /nfs/dbraw/zinc/06/07/93/657060793.db2.gz PMVOONGPRXKGCR-GHMZBOCLSA-N 2 0 280.372 -0.854 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NCC3([NH3+])CC3)C[C@]2(C)C1 ZINC000911507269 657061372 /nfs/dbraw/zinc/06/13/72/657061372.db2.gz UFCMUPRJIBOOCZ-MFKMUULPSA-N 2 0 280.372 -0.996 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911527682 657067022 /nfs/dbraw/zinc/06/70/22/657067022.db2.gz JQBPMMZIGRNBLI-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC[NH2+]1 ZINC000911529669 657068160 /nfs/dbraw/zinc/06/81/60/657068160.db2.gz FJAQEWOHJLCZIS-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000911530536 657068599 /nfs/dbraw/zinc/06/85/99/657068599.db2.gz ZASZIVAJBRSSHX-RYUDHWBXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911531989 657070174 /nfs/dbraw/zinc/07/01/74/657070174.db2.gz IFUMAPWVMICVJQ-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911547545 657074799 /nfs/dbraw/zinc/07/47/99/657074799.db2.gz WJAYZMIFXJSJSO-FRRDWIJNSA-N 2 0 294.399 -0.450 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911563826 657079745 /nfs/dbraw/zinc/07/97/45/657079745.db2.gz STPGXKKVSUZDRY-SRVKXCTJSA-N 2 0 282.388 -0.608 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911564424 657079837 /nfs/dbraw/zinc/07/98/37/657079837.db2.gz YWBRUIKAQCUGEO-IJLUTSLNSA-N 2 0 282.388 -0.608 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C1 ZINC000911564978 657080469 /nfs/dbraw/zinc/08/04/69/657080469.db2.gz XMVCSPLQAWBRSL-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH2+]C1(C(=O)NCCCN2CC[NH2+]CC2)CCC1 ZINC000911628069 657088603 /nfs/dbraw/zinc/08/86/03/657088603.db2.gz HPMFJHQEWWEUDL-UHFFFAOYSA-N 2 0 254.378 -0.460 20 0 CBADRP C[NH2+]CCCCC(=O)NCCCN1CC[NH2+]CC1 ZINC000911628011 657089290 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C[NH2+][C@@H]1CCN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000911661464 657098641 /nfs/dbraw/zinc/09/86/41/657098641.db2.gz VBWGVPFJFIWDNF-ZWNOBZJWSA-N 2 0 266.345 -0.295 20 0 CBADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC000911667760 657099956 /nfs/dbraw/zinc/09/99/56/657099956.db2.gz SBBCRPVBMUKDNB-NVBFEUDRSA-N 2 0 293.367 -0.076 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CCC(C[NH3+])CC2)C1=O ZINC000911670691 657100232 /nfs/dbraw/zinc/10/02/32/657100232.db2.gz PKUPWEQLRQMDCX-GFCCVEGCSA-N 2 0 282.388 -0.619 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N[C@H]2CCC[NH2+]C2)C1=O ZINC000911672705 657101908 /nfs/dbraw/zinc/10/19/08/657101908.db2.gz HDBUWXPYNYFUGL-QWRGUYRKSA-N 2 0 268.361 -0.948 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC000911683433 657102631 /nfs/dbraw/zinc/10/26/31/657102631.db2.gz HBWBFEOVIJGTHD-AVGNSLFASA-N 2 0 296.415 -0.088 20 0 CBADRP CN(C(=O)[C@H]1CCCN(CC[NH3+])C1=O)C1CC[NH2+]CC1 ZINC000911692084 657103351 /nfs/dbraw/zinc/10/33/51/657103351.db2.gz KQPGPIXQQQVHQV-GFCCVEGCSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[NH2+]CCCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC000911688946 657103594 /nfs/dbraw/zinc/10/35/94/657103594.db2.gz VYFHEDSMGQBMJS-LLVKDONJSA-N 2 0 270.377 -0.701 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCCN1CC[NH2+]CC1 ZINC000911693514 657103993 /nfs/dbraw/zinc/10/39/93/657103993.db2.gz KRDWXNOENQBQAG-VXGBXAGGSA-N 2 0 254.378 -0.747 20 0 CBADRP C[NH+]1CCC(OCC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000911694679 657105063 /nfs/dbraw/zinc/10/50/63/657105063.db2.gz AAKSNTWXMPJMNC-UHFFFAOYSA-N 2 0 284.404 -0.881 20 0 CBADRP [NH3+]Cc1ccccc1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911702720 657109334 /nfs/dbraw/zinc/10/93/34/657109334.db2.gz PNKUANAPNBWLGI-UHFFFAOYSA-N 2 0 276.340 -0.693 20 0 CBADRP C[C@H](NC(=O)C[C@@]1(O)CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000911717047 657113139 /nfs/dbraw/zinc/11/31/39/657113139.db2.gz ASMQCRPPQXYNHK-SCRDCRAPSA-N 2 0 269.389 -0.005 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911714597 657113204 /nfs/dbraw/zinc/11/32/04/657113204.db2.gz QXSLOGUGOGCKFX-WCQYABFASA-N 2 0 284.404 -0.266 20 0 CBADRP C[C@H](NC(=O)C[C@]1(O)CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000911717046 657113460 /nfs/dbraw/zinc/11/34/60/657113460.db2.gz ASMQCRPPQXYNHK-OUCADQQQSA-N 2 0 269.389 -0.005 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)NC[C@@H]1CCCC[NH2+]1 ZINC000911713482 657113831 /nfs/dbraw/zinc/11/38/31/657113831.db2.gz JADGIBRIEMHETK-WCQYABFASA-N 2 0 255.362 -0.251 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC000911725561 657117669 /nfs/dbraw/zinc/11/76/69/657117669.db2.gz WMKCEKCHRLRLDO-QWRGUYRKSA-N 2 0 268.361 -0.996 20 0 CBADRP C[NH2+]C1CC(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000911727340 657118296 /nfs/dbraw/zinc/11/82/96/657118296.db2.gz KBTSMONUWSFGPG-VOMCLLRMSA-N 2 0 282.388 -0.702 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC000911726642 657118399 /nfs/dbraw/zinc/11/83/99/657118399.db2.gz FKBLOAAYTMODSK-RNJOBUHISA-N 2 0 294.399 -0.845 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC000911736065 657118830 /nfs/dbraw/zinc/11/88/30/657118830.db2.gz HCOWANMUDVUHEO-AAEUAGOBSA-N 2 0 255.362 -0.299 20 0 CBADRP C[C@@]1(C(=O)NCc2ccc(CC[NH3+])cc2)C[C@H](O)C[NH2+]1 ZINC000911735731 657119678 /nfs/dbraw/zinc/11/96/78/657119678.db2.gz ZFYRZYJIBJMJRR-ZFWWWQNUSA-N 2 0 277.368 -0.083 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC000911736067 657119969 /nfs/dbraw/zinc/11/99/69/657119969.db2.gz HCOWANMUDVUHEO-WCQYABFASA-N 2 0 255.362 -0.299 20 0 CBADRP CC[NH2+]CCNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000911750362 657121301 /nfs/dbraw/zinc/12/13/01/657121301.db2.gz IDPXYWGXHCNLCW-GFCCVEGCSA-N 2 0 254.334 -0.389 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)NCC[NH2+]C2CC2)n1 ZINC000911753449 657122613 /nfs/dbraw/zinc/12/26/13/657122613.db2.gz CDKRUGQHZRMUDE-UHFFFAOYSA-N 2 0 251.334 -0.286 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000911760431 657124099 /nfs/dbraw/zinc/12/40/99/657124099.db2.gz BCHXCASFEXYUEU-CYBMUJFWSA-N 2 0 278.356 -0.134 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)NCC[C@H]1CC[NH2+]C1 ZINC000911766062 657124280 /nfs/dbraw/zinc/12/42/80/657124280.db2.gz FMNPDIAMXGTSGX-DGCLKSJQSA-N 2 0 255.362 -0.393 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911766597 657124441 /nfs/dbraw/zinc/12/44/41/657124441.db2.gz GFUDHWHKUATCOX-WCQYABFASA-N 2 0 284.404 -0.408 20 0 CBADRP C[C@]1(C(=O)NC[C@H]([NH3+])c2ccccc2)C[C@@H](O)C[NH2+]1 ZINC000911762881 657124452 /nfs/dbraw/zinc/12/44/52/657124452.db2.gz FOHZIPPBWZEEPQ-MBNYWOFBSA-N 2 0 263.341 -0.085 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC000911774833 657125931 /nfs/dbraw/zinc/12/59/31/657125931.db2.gz KMJKLZUPXPHKKI-ZDUSSCGKSA-N 2 0 296.415 -0.881 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)N(C)CCN2CC[NH2+]CC2)CCOCC1 ZINC000911774091 657126040 /nfs/dbraw/zinc/12/60/40/657126040.db2.gz HOFCLQIGISXWOF-ZDUSSCGKSA-N 2 0 298.431 -0.506 20 0 CBADRP CN(C(=O)C1=NOC2(C1)CC[NH2+]CC2)[C@H]1CC[NH2+]C1 ZINC000911783238 657129046 /nfs/dbraw/zinc/12/90/46/657129046.db2.gz RPBBKKXSJWTKSH-JTQLQIEISA-N 2 0 266.345 -0.295 20 0 CBADRP CN(C(=O)COC1CC[NH+](C)CC1)[C@H]1CC[NH2+]C1 ZINC000911789791 657130141 /nfs/dbraw/zinc/13/01/41/657130141.db2.gz VWGSLVFCXAATNJ-NSHDSACASA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C[C@H](C)[NH2+]1 ZINC000911793915 657131580 /nfs/dbraw/zinc/13/15/80/657131580.db2.gz DUISPJIUAFNCRY-GRYCIOLGSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@]2(O)CCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000911799424 657132784 /nfs/dbraw/zinc/13/27/84/657132784.db2.gz XYHHSRZMHXAZRY-NQBHXWOUSA-N 2 0 255.362 -0.300 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000911819757 657140152 /nfs/dbraw/zinc/14/01/52/657140152.db2.gz PZNLRPRJHCPMIB-CHWSQXEVSA-N 2 0 268.405 -0.086 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)N[C@H](C[NH3+])C2CC2)n1 ZINC000911831961 657141568 /nfs/dbraw/zinc/14/15/68/657141568.db2.gz DXSLUZHWFZSANX-LLVKDONJSA-N 2 0 251.334 -0.301 20 0 CBADRP CC[NH2+]CC1CCN(C(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC000911861028 657148023 /nfs/dbraw/zinc/14/80/23/657148023.db2.gz AWOAQDBWGHTGOF-ZDUSSCGKSA-N 2 0 268.405 -0.262 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911864877 657148708 /nfs/dbraw/zinc/14/87/08/657148708.db2.gz TZKYSPASDGBUHV-DGCLKSJQSA-N 2 0 255.362 -0.299 20 0 CBADRP C[NH+](C)CCN1CCN(C(=O)C23CC[NH+](CC2)C3)CC1=O ZINC000911873781 657151037 /nfs/dbraw/zinc/15/10/37/657151037.db2.gz UHLUXKAJMZTFHD-UHFFFAOYSA-N 2 0 294.399 -0.685 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)CCO1 ZINC000911878810 657153979 /nfs/dbraw/zinc/15/39/79/657153979.db2.gz APBJUSNUAISQKV-JQWIXIFHSA-N 2 0 296.371 -0.541 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CCO1 ZINC000911878774 657154310 /nfs/dbraw/zinc/15/43/10/657154310.db2.gz AAJSEGULCRHDFE-OSUNSFLBSA-N 2 0 253.346 -0.584 20 0 CBADRP C[C@@H]1[NH2+]CCn2c(C(=O)N3CCN(C)C[C@@H]3C[NH3+])ccc21 ZINC000911880695 657155953 /nfs/dbraw/zinc/15/59/53/657155953.db2.gz XFFUMKWXPCOTGN-RYUDHWBXSA-N 2 0 291.399 -0.133 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)CCO1 ZINC000911883254 657156288 /nfs/dbraw/zinc/15/62/88/657156288.db2.gz XVVFYMQPQUUSLW-VHRBIJSZSA-N 2 0 296.371 -0.541 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)CCO1 ZINC000911883252 657156768 /nfs/dbraw/zinc/15/67/68/657156768.db2.gz XVVFYMQPQUUSLW-JKOKRWQUSA-N 2 0 296.371 -0.541 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C2=CCC[NH2+]CC2)CCO1 ZINC000911884045 657156901 /nfs/dbraw/zinc/15/69/01/657156901.db2.gz OZZBNZSYALAEMZ-JQWIXIFHSA-N 2 0 253.346 -0.129 20 0 CBADRP C[C@H](C(=O)N(CCO)C1CC[NH+](C)CC1)[NH+](C)C ZINC000911949610 657170006 /nfs/dbraw/zinc/17/00/06/657170006.db2.gz YXVAXDUEQGBIKR-LLVKDONJSA-N 2 0 257.378 -0.148 20 0 CBADRP C[C@H](CCNC(=O)C1CN(C)CC[N@H+](C)C1)[NH+](C)C ZINC000912386179 657247030 /nfs/dbraw/zinc/24/70/30/657247030.db2.gz CERQBHLSWIXHNJ-GFCCVEGCSA-N 2 0 270.421 -0.064 20 0 CBADRP CN(CC1C[NH+](C)C1)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000912452834 657266702 /nfs/dbraw/zinc/26/67/02/657266702.db2.gz AZTKSSUHPPFRFU-DGCLKSJQSA-N 2 0 255.362 -0.539 20 0 CBADRP CN(CC[N@H+](C)CCO)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000912602317 657292078 /nfs/dbraw/zinc/29/20/78/657292078.db2.gz XZKLCZHJFKDZOZ-CYBMUJFWSA-N 2 0 285.388 -0.910 20 0 CBADRP Cc1nccn1CC(=O)NCCN1CCC2(C1)OCCO2 ZINC000912897756 657355308 /nfs/dbraw/zinc/35/53/08/657355308.db2.gz XRLJPCXBNWSKDP-UHFFFAOYSA-N 2 0 294.355 -0.243 20 0 CBADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000913171311 657391707 /nfs/dbraw/zinc/39/17/07/657391707.db2.gz JHGUZFLGPWLRST-TZMCWYRMSA-N 2 0 285.388 -0.984 20 0 CBADRP C[NH+](C)CCn1nccc1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000913351282 657443579 /nfs/dbraw/zinc/44/35/79/657443579.db2.gz BOZMGTPLOGBVOX-LBPRGKRZSA-N 2 0 295.387 -0.759 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C(N)=O)C[C@H]1C[NH+](C)C ZINC000913438333 657451504 /nfs/dbraw/zinc/45/15/04/657451504.db2.gz PGXAZNKCQWGOIK-FVCCEPFGSA-N 2 0 296.415 -0.694 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001015655226 657504851 /nfs/dbraw/zinc/50/48/51/657504851.db2.gz LTLJAIDTRJNWGE-GFCCVEGCSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCO)C2)C1 ZINC001015705085 657522951 /nfs/dbraw/zinc/52/29/51/657522951.db2.gz HTVMGUMVEPIJGZ-RYUDHWBXSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCCO)C2)C1 ZINC001015704644 657525011 /nfs/dbraw/zinc/52/50/11/657525011.db2.gz BODONGNKNHZNQB-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NC23CC[NH+](CC2)C3)CC1=O ZINC000913629631 657569135 /nfs/dbraw/zinc/56/91/35/657569135.db2.gz GMTHNNPMHUZWDM-GFCCVEGCSA-N 2 0 294.399 -0.639 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016252555 657669117 /nfs/dbraw/zinc/66/91/17/657669117.db2.gz TZBUZUSUCSABAQ-VXGBXAGGSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001018264776 657799715 /nfs/dbraw/zinc/79/97/15/657799715.db2.gz AMQKVEWFMDKJSY-SYQHCUMBSA-N 2 0 281.400 -0.006 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018838392 657849597 /nfs/dbraw/zinc/84/95/97/657849597.db2.gz ZEDGALVAFFQQRI-RYUDHWBXSA-N 2 0 282.388 -0.465 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1)C1CC1 ZINC001018966763 657855931 /nfs/dbraw/zinc/85/59/31/657855931.db2.gz ROSRRQJIMZXUEX-CMPLNLGQSA-N 2 0 268.361 -0.998 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)CCC1 ZINC001018963185 657855940 /nfs/dbraw/zinc/85/59/40/657855940.db2.gz CMUORRYMYGQNMM-JTQLQIEISA-N 2 0 268.361 -0.854 20 0 CBADRP C[NH+](C)[C@H](C(=O)N1CC[C@H]([NH2+]CCO)C1)C1CC1 ZINC001018967552 657855993 /nfs/dbraw/zinc/85/59/93/657855993.db2.gz FUGDDFZGCBWXSG-RYUDHWBXSA-N 2 0 255.362 -0.491 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC001018971881 657856156 /nfs/dbraw/zinc/85/61/56/657856156.db2.gz YKEVJMFWOZWUTC-QWRGUYRKSA-N 2 0 282.388 -0.465 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001019034465 657859449 /nfs/dbraw/zinc/85/94/49/657859449.db2.gz DWJKELZPDUEUQN-VHSXEESVSA-N 2 0 256.350 -0.998 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001019386606 657891208 /nfs/dbraw/zinc/89/12/08/657891208.db2.gz RMVLPCXIZFIICQ-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP CC1CC[NH+](CC(=O)N2CC[C@H]([NH2+]CCO)C2)CC1 ZINC001019560334 657912884 /nfs/dbraw/zinc/91/28/84/657912884.db2.gz AZHMGRPHFCBPIN-ZDUSSCGKSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001019652452 657927223 /nfs/dbraw/zinc/92/72/23/657927223.db2.gz MPJISPSOPRDEFT-MNOVXSKESA-N 2 0 268.361 -0.996 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019820293 657948575 /nfs/dbraw/zinc/94/85/75/657948575.db2.gz DSSSJUXUEHRUHE-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)C(N)=O ZINC001019816183 657949628 /nfs/dbraw/zinc/94/96/28/657949628.db2.gz UGBDIRPFFNTMAH-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)C(N)=O ZINC001019816184 657949681 /nfs/dbraw/zinc/94/96/81/657949681.db2.gz UGBDIRPFFNTMAH-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001020025579 657985261 /nfs/dbraw/zinc/98/52/61/657985261.db2.gz UIFYZZZUFQBZQB-JHJVBQTASA-N 2 0 294.399 -0.450 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)C(N)=O)C2)CC[N@@H+]1C ZINC001020174479 658022567 /nfs/dbraw/zinc/02/25/67/658022567.db2.gz CHFQVVCOSIWJCY-NJMOYASZSA-N 2 0 296.415 -0.173 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001020297242 658035423 /nfs/dbraw/zinc/03/54/23/658035423.db2.gz DIVPEINEQVVBNN-BJDJZHNGSA-N 2 0 282.388 -0.419 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC001020508894 658061959 /nfs/dbraw/zinc/06/19/59/658061959.db2.gz FZCKOORZZIMCKC-VLJOUNFMSA-N 2 0 296.415 -0.173 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001020588871 658075658 /nfs/dbraw/zinc/07/56/58/658075658.db2.gz OZQFXYJTPGIYSB-FDYHWXHSSA-N 2 0 269.389 -0.054 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1)C(N)=O ZINC001020590100 658076074 /nfs/dbraw/zinc/07/60/74/658076074.db2.gz MBXMKESTYLXVPD-FDYHWXHSSA-N 2 0 296.415 -0.171 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1)C(N)=O ZINC001020590102 658076765 /nfs/dbraw/zinc/07/67/65/658076765.db2.gz MBXMKESTYLXVPD-ZDEQEGDKSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001020928875 658119226 /nfs/dbraw/zinc/11/92/26/658119226.db2.gz ONBONZNHHJROPQ-USZNOCQGSA-N 2 0 282.388 -0.561 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCC1([NH+](C)C)CC1 ZINC000923005186 658129905 /nfs/dbraw/zinc/12/99/05/658129905.db2.gz KZQOKDDZUZXQAJ-LBPRGKRZSA-N 2 0 272.393 -0.308 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001021046541 658135509 /nfs/dbraw/zinc/13/55/09/658135509.db2.gz UUWOMJOIOXSVCT-JOCQHMNTSA-N 2 0 292.387 -0.389 20 0 CBADRP CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001021046253 658135665 /nfs/dbraw/zinc/13/56/65/658135665.db2.gz PRWNCXQTLZQFMV-AVGNSLFASA-N 2 0 294.399 -0.450 20 0 CBADRP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001021051167 658140560 /nfs/dbraw/zinc/14/05/60/658140560.db2.gz DXQYNECPKNXPMQ-HAQNSBGRSA-N 2 0 292.387 -0.352 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280917 658187526 /nfs/dbraw/zinc/18/75/26/658187526.db2.gz KCZNMRBFCLLEGG-CHWSQXEVSA-N 3 0 296.415 -0.848 20 0 CBADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000923282502 658187968 /nfs/dbraw/zinc/18/79/68/658187968.db2.gz UXVFFVFHWVKPDB-YNEHKIRRSA-N 2 0 258.362 -0.177 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283773 658191868 /nfs/dbraw/zinc/19/18/68/658191868.db2.gz YDIGMANNUWMFFS-QWHCGFSZSA-N 2 0 285.388 -0.863 20 0 CBADRP CC(C)OCC[C@@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000923286238 658193758 /nfs/dbraw/zinc/19/37/58/658193758.db2.gz LPCMYGQVYHLOGS-CQSZACIVSA-N 2 0 273.421 -0.001 20 0 CBADRP NC(=O)[C@H]1CCCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923299415 658198755 /nfs/dbraw/zinc/19/87/55/658198755.db2.gz UNCUJVFJRSZDMK-WDEREUQCSA-N 2 0 253.346 -0.295 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923298489 658199506 /nfs/dbraw/zinc/19/95/06/658199506.db2.gz TWIFASVSHVPAMH-SRVKXCTJSA-N 2 0 255.362 -0.587 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923298490 658199616 /nfs/dbraw/zinc/19/96/16/658199616.db2.gz TWIFASVSHVPAMH-TUAOUCFPSA-N 2 0 255.362 -0.587 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN[C@@](C)(C[NH3+])C(C)C ZINC000923298853 658199627 /nfs/dbraw/zinc/19/96/27/658199627.db2.gz GGJWKRYPOPFYHJ-STQMWFEESA-N 2 0 261.410 -0.112 20 0 CBADRP CNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923313212 658202501 /nfs/dbraw/zinc/20/25/01/658202501.db2.gz PXAZERLXYYUJCI-VXGBXAGGSA-N 2 0 267.373 -0.177 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000923322175 658207380 /nfs/dbraw/zinc/20/73/80/658207380.db2.gz TUQNHIFFLFTYRU-KKUMJFAQSA-N 3 0 283.416 -0.119 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923323759 658210990 /nfs/dbraw/zinc/21/09/90/658210990.db2.gz MIPHYDMPUMFTEU-IHRRRGAJSA-N 2 0 298.431 -0.677 20 0 CBADRP CCOC[C@H](O)C[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000923331720 658217221 /nfs/dbraw/zinc/21/72/21/658217221.db2.gz FQJDQMNVWSMCKM-CHWSQXEVSA-N 2 0 285.388 -0.720 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000923329691 658215975 /nfs/dbraw/zinc/21/59/75/658215975.db2.gz XIEOLCCIOBMCKA-HZSPNIEDSA-N 2 0 299.415 -0.426 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000923328745 658217390 /nfs/dbraw/zinc/21/73/90/658217390.db2.gz CETSYZCBGMKNCA-UONOGXRCSA-N 2 0 271.405 -0.248 20 0 CBADRP C[C@@H](NC(C[NH3+])C[NH3+])C(=O)NCCc1ccc(F)cc1 ZINC000923350537 658221196 /nfs/dbraw/zinc/22/11/96/658221196.db2.gz BLNOVYVIHXHPLK-SNVBAGLBSA-N 2 0 282.363 -0.252 20 0 CBADRP Cn1ccnc1[C@@H]1C[NH2+]CCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923357114 658229418 /nfs/dbraw/zinc/22/94/18/658229418.db2.gz WMILPBXXDBRHLR-STQMWFEESA-N 2 0 291.399 -0.255 20 0 CBADRP CCOCC[C@H](O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000923367635 658233014 /nfs/dbraw/zinc/23/30/14/658233014.db2.gz VUPYBLJLIJMZHC-KGLIPLIRSA-N 2 0 271.405 -0.247 20 0 CBADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000923366871 658234628 /nfs/dbraw/zinc/23/46/28/658234628.db2.gz PNTLBARECPOOHL-HUUCEWRRSA-N 2 0 285.432 -0.001 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN[C@@H]1CC[NH2+]CC1(C)C ZINC000923371054 658240297 /nfs/dbraw/zinc/24/02/97/658240297.db2.gz UTIJOLBFRUALEO-CHWSQXEVSA-N 2 0 273.421 -0.097 20 0 CBADRP O[C@@H]1C[C@H]2CN(C[C@@H]3CC4(C[NH2+]C4)CO3)CC[N@@H+]2C1 ZINC000923390727 658248443 /nfs/dbraw/zinc/24/84/43/658248443.db2.gz VMBHHPBKDNCHCD-XQQFMLRXSA-N 2 0 267.373 -0.884 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000923398059 658253365 /nfs/dbraw/zinc/25/33/65/658253365.db2.gz JQBKGNZWGCESKQ-HZSPNIEDSA-N 2 0 271.405 -0.261 20 0 CBADRP O=C1OCCN1[C@@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923392401 658254155 /nfs/dbraw/zinc/25/41/55/658254155.db2.gz RIPIOIYHROMDIA-NEPJUHHUSA-N 2 0 281.356 -0.109 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@H](CN3CCCC3=O)C2)C1 ZINC000923396172 658255222 /nfs/dbraw/zinc/25/52/22/658255222.db2.gz VSCCWHRVVNAGJN-CYDGBPFRSA-N 2 0 267.373 -0.219 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923402657 658261247 /nfs/dbraw/zinc/26/12/47/658261247.db2.gz JRLJYNIYEAPFMW-GFCCVEGCSA-N 3 0 257.378 -0.467 20 0 CBADRP C[C@H]1C[N@H+](CCN2C(=O)CN(C)C2=O)C[C@H]1C[NH3+] ZINC000923411139 658263599 /nfs/dbraw/zinc/26/35/99/658263599.db2.gz LQHQVKUHPUDZNY-VHSXEESVSA-N 2 0 254.334 -0.593 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413860 658271214 /nfs/dbraw/zinc/27/12/14/658271214.db2.gz JBWFIVRWCSVRIR-DBIOUOCHSA-N 2 0 255.318 -0.766 20 0 CBADRP [NH3+]C[C@]1(CO)COCCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923425815 658274353 /nfs/dbraw/zinc/27/43/53/658274353.db2.gz IWPMIEQUCLUCRB-DKUMPPAJSA-N 2 0 283.416 -0.071 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000923430620 658278363 /nfs/dbraw/zinc/27/83/63/658278363.db2.gz INCIEMUTQKWGBY-ABRLLLAPSA-N 2 0 253.268 -0.342 20 0 CBADRP CON1CC[C@H]([NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1=O ZINC000923445560 658283418 /nfs/dbraw/zinc/28/34/18/658283418.db2.gz XVCNVMBEEQRBEG-NEPJUHHUSA-N 2 0 283.372 -0.022 20 0 CBADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCn1cnnn1)CC2 ZINC000923440083 658284933 /nfs/dbraw/zinc/28/49/33/658284933.db2.gz HLRYPPMDBVYJPV-LLVKDONJSA-N 2 0 266.349 -0.497 20 0 CBADRP C(c1nnc2n1CCCCC2)N1CC[NH2+]CC[NH2+]CC1 ZINC000923460938 658293184 /nfs/dbraw/zinc/29/31/84/658293184.db2.gz YBJYNXLFENMELX-UHFFFAOYSA-N 2 0 278.404 -0.001 20 0 CBADRP O[C@@H](COc1ccccc1)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923462553 658294431 /nfs/dbraw/zinc/29/44/31/658294431.db2.gz KQRJDTKPUCDHTB-CQSZACIVSA-N 2 0 279.384 -0.079 20 0 CBADRP CCCCn1nnnc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923465058 658296040 /nfs/dbraw/zinc/29/60/40/658296040.db2.gz WOVHMQRILFLBJA-UHFFFAOYSA-N 2 0 267.381 -0.532 20 0 CBADRP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923503970 658309536 /nfs/dbraw/zinc/30/95/36/658309536.db2.gz MYENMLZMRLGOGK-ZJUUUORDSA-N 2 0 256.350 -0.251 20 0 CBADRP C[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)CC[C@@H]1C[NH3+] ZINC000923502520 658309355 /nfs/dbraw/zinc/30/93/55/658309355.db2.gz ZLMRMCGPMVQABG-GHMZBOCLSA-N 2 0 280.372 -0.499 20 0 CBADRP C[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC000923502870 658309869 /nfs/dbraw/zinc/30/98/69/658309869.db2.gz ZOANEKYRSMJFNA-QWHCGFSZSA-N 3 0 268.405 -0.275 20 0 CBADRP C[C@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)CC[C@@H]1C[NH3+] ZINC000923502523 658310189 /nfs/dbraw/zinc/31/01/89/658310189.db2.gz ZLMRMCGPMVQABG-WDEREUQCSA-N 2 0 280.372 -0.499 20 0 CBADRP CNS(=O)(=O)CCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501033 658312303 /nfs/dbraw/zinc/31/23/03/658312303.db2.gz YSTCQFISKABHRX-MNOVXSKESA-N 2 0 263.407 -0.158 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923562112 658325531 /nfs/dbraw/zinc/32/55/31/658325531.db2.gz DIPKLXULNPWUPB-GHMZBOCLSA-N 2 0 276.406 -0.662 20 0 CBADRP [NH3+]C[C@H]1CCCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923568281 658331319 /nfs/dbraw/zinc/33/13/19/658331319.db2.gz WZESCQPRKYALFZ-MNOVXSKESA-N 2 0 261.391 -0.261 20 0 CBADRP O=S(=O)(NCC[C@@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000923567543 658331766 /nfs/dbraw/zinc/33/17/66/658331766.db2.gz BHWBHKWHSAUBSX-QWRGUYRKSA-N 2 0 261.391 -0.343 20 0 CBADRP C[NH2+]C1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923568002 658331842 /nfs/dbraw/zinc/33/18/42/658331842.db2.gz DCNRJFYOLSQJQR-NSHDSACASA-N 2 0 261.391 -0.248 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923567661 658332020 /nfs/dbraw/zinc/33/20/20/658332020.db2.gz VSOIRUGDFYYXHD-NSHDSACASA-N 2 0 261.391 -0.248 20 0 CBADRP C[C@H](CNS(=O)(=O)C1C[NH2+]C1)[N@@H+]1CCC[C@H](C)C1 ZINC000923589855 658341051 /nfs/dbraw/zinc/34/10/51/658341051.db2.gz MTCXKONPWYDWTQ-WDEREUQCSA-N 2 0 275.418 -0.002 20 0 CBADRP C[C@H]1CCC[N@H+](CCNS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923588970 658341570 /nfs/dbraw/zinc/34/15/70/658341570.db2.gz MQIMLBOSBKQVKK-LBPRGKRZSA-N 2 0 290.433 -0.542 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923646344 658372790 /nfs/dbraw/zinc/37/27/90/658372790.db2.gz QNYPGFWBSUYZCZ-GHMZBOCLSA-N 2 0 273.402 -0.391 20 0 CBADRP O=S(=O)([C@H]1CCC[NH2+]C1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923648026 658372977 /nfs/dbraw/zinc/37/29/77/658372977.db2.gz FFJSJIBIFVUATG-RYUDHWBXSA-N 2 0 273.402 -0.104 20 0 CBADRP [NH3+][C@@H]1Cc2ccccc2N(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923647184 658373599 /nfs/dbraw/zinc/37/35/99/658373599.db2.gz ARWWXKBXTPYXMS-GFCCVEGCSA-N 2 0 296.396 -0.474 20 0 CBADRP C[C@@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)[C@H]1CC[NH3+] ZINC000923651083 658375231 /nfs/dbraw/zinc/37/52/31/658375231.db2.gz CWPOWZOAQFKXBN-NEPJUHHUSA-N 2 0 290.433 -0.414 20 0 CBADRP C[C@@H]1C[C@@H](C)N(S(=O)(=O)N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000923649219 658376273 /nfs/dbraw/zinc/37/62/73/658376273.db2.gz NHRKLUIXQDGENU-IJLUTSLNSA-N 2 0 290.433 -0.558 20 0 CBADRP C[C@@H]1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000923648870 658376595 /nfs/dbraw/zinc/37/65/95/658376595.db2.gz WGXUVLZXLLIHKR-UTUOFQBUSA-N 2 0 275.418 -0.015 20 0 CBADRP O=S(=O)(NCC12CC(C1)C[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000923657515 658383627 /nfs/dbraw/zinc/38/36/27/658383627.db2.gz AVPDOHLRURFCCK-YVNMAJEFSA-N 2 0 259.375 -0.590 20 0 CBADRP C[NH+](C)CCC[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)CCO1 ZINC000923659937 658384688 /nfs/dbraw/zinc/38/46/88/658384688.db2.gz QMSLYHXUPZUKNU-NSHDSACASA-N 2 0 291.417 -0.669 20 0 CBADRP [NH3+][C@@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC[C@H]1F ZINC000923659366 658384826 /nfs/dbraw/zinc/38/48/26/658384826.db2.gz NJFPMGAGQWIYGD-IVZWLZJFSA-N 2 0 265.354 -0.561 20 0 CBADRP CO[C@@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)[C@@](C)(C[NH3+])C1 ZINC000923661304 658386026 /nfs/dbraw/zinc/38/60/26/658386026.db2.gz DKLDLLRRQDPTIL-QJPTWQEYSA-N 2 0 291.417 -0.494 20 0 CBADRP O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1C[NH2+]C1 ZINC000923669640 658392525 /nfs/dbraw/zinc/39/25/25/658392525.db2.gz ATRMDNQELDCCPG-SNVBAGLBSA-N 2 0 289.401 -0.964 20 0 CBADRP [NH3+]CC[C@@H]1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923700672 658406568 /nfs/dbraw/zinc/40/65/68/658406568.db2.gz WHVOEBZKLQVVSO-MNOVXSKESA-N 2 0 261.391 -0.261 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC000923704363 658408348 /nfs/dbraw/zinc/40/83/48/658408348.db2.gz RXGRQXODFXOJEF-GHMZBOCLSA-N 2 0 276.406 -0.947 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923733933 658425023 /nfs/dbraw/zinc/42/50/23/658425023.db2.gz GMBOENDBLLGJLJ-NSHDSACASA-N 2 0 259.375 -0.494 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000923741031 658432345 /nfs/dbraw/zinc/43/23/45/658432345.db2.gz SYMSCOSSQMBTFB-HBNTYKKESA-N 2 0 277.390 -0.978 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCN(CCCO)CC2)C1 ZINC000957331948 658476564 /nfs/dbraw/zinc/47/65/64/658476564.db2.gz CRBNVEOGZDZMIW-CYBMUJFWSA-N 2 0 269.389 -0.145 20 0 CBADRP C[NH+](C)C[C@@H]1NC(=O)N([C@H]2CC[N@H+](CC3CC3)C2)C1=O ZINC000924592506 658619062 /nfs/dbraw/zinc/61/90/62/658619062.db2.gz RSCHYGDMOZDKED-RYUDHWBXSA-N 2 0 280.372 -0.047 20 0 CBADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2C)cn1 ZINC000924981396 658692463 /nfs/dbraw/zinc/69/24/63/658692463.db2.gz NCZJAKMQTDNLQB-UONOGXRCSA-N 2 0 292.383 -0.062 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H]1C[NH+]2CCC1CC2 ZINC000959918950 658753089 /nfs/dbraw/zinc/75/30/89/658753089.db2.gz HCWMIRFNRHFFLA-MQYQWHSLSA-N 2 0 279.384 -0.633 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)CC[N@@H+]1C ZINC000959965177 658769537 /nfs/dbraw/zinc/76/95/37/658769537.db2.gz IRMQSBNHFZKLDP-KVSVUVNWSA-N 2 0 267.373 -0.635 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000925331429 658828025 /nfs/dbraw/zinc/82/80/25/658828025.db2.gz JNYFYEIYXHHBIL-RYUDHWBXSA-N 2 0 272.393 -0.308 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000961768532 658833775 /nfs/dbraw/zinc/83/37/75/658833775.db2.gz BXSVBKPMYRDOLG-CIQGVGRVSA-N 2 0 267.373 -0.491 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925410792 658839249 /nfs/dbraw/zinc/83/92/49/658839249.db2.gz UJFGZDGYYLHEQA-CMPLNLGQSA-N 2 0 258.366 -0.698 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000925410794 658840207 /nfs/dbraw/zinc/84/02/07/658840207.db2.gz UJFGZDGYYLHEQA-PWSUYJOCSA-N 2 0 258.366 -0.698 20 0 CBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925433823 658853604 /nfs/dbraw/zinc/85/36/04/658853604.db2.gz XMOZAUYMGNZQSK-RYUDHWBXSA-N 2 0 297.403 -0.548 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925496662 658856855 /nfs/dbraw/zinc/85/68/55/658856855.db2.gz RTRKHFBGHYSCHF-QWHCGFSZSA-N 2 0 284.404 -0.848 20 0 CBADRP OC1CC[NH+](CCCN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925506708 658856804 /nfs/dbraw/zinc/85/68/04/658856804.db2.gz XYGYJIHHOBBKMG-GFCCVEGCSA-N 2 0 257.378 -0.589 20 0 CBADRP C[NH+]1CCC(N2CC[C@H](N[C@H]3C[NH2+]CCOC3)C2)CC1 ZINC000925482154 658856955 /nfs/dbraw/zinc/85/69/55/658856955.db2.gz LWMQVUXTVAVUJW-KBPBESRZSA-N 2 0 282.432 -0.267 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925496660 658856983 /nfs/dbraw/zinc/85/69/83/658856983.db2.gz RTRKHFBGHYSCHF-CHWSQXEVSA-N 2 0 284.404 -0.848 20 0 CBADRP CN(C)C(=O)CC[NH+]1CCC(N[C@H]2C[NH2+]CCOC2)CC1 ZINC000925568898 658859162 /nfs/dbraw/zinc/85/91/62/658859162.db2.gz XKNBNMCTTOGUGW-AWEZNQCLSA-N 2 0 298.431 -0.493 20 0 CBADRP O=C(C[NH+]1CCCC1)NC1CC(C[NH2+][C@@H]2CCNC2=O)C1 ZINC000962721225 658859580 /nfs/dbraw/zinc/85/95/80/658859580.db2.gz ZYEISMGCOJTFRZ-WXRRBKDZSA-N 2 0 294.399 -0.545 20 0 CBADRP O=C(C[NH+]1CCCC1)NC1CC(C[NH2+][C@H]2CCNC2=O)C1 ZINC000962721223 658859720 /nfs/dbraw/zinc/85/97/20/658859720.db2.gz ZYEISMGCOJTFRZ-BPCQOVAHSA-N 2 0 294.399 -0.545 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCN[C@@H]1C[NH2+]CCOC1 ZINC000925554956 658859824 /nfs/dbraw/zinc/85/98/24/658859824.db2.gz BXAPLIDFFCMYKN-KGLIPLIRSA-N 2 0 298.431 -0.493 20 0 CBADRP COC(=O)N1CCC([NH2+][C@H]2CNCCOC2)CC1 ZINC000925569148 658859960 /nfs/dbraw/zinc/85/99/60/658859960.db2.gz RAUUJLVNBXSQMK-NSHDSACASA-N 2 0 257.334 -0.205 20 0 CBADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CNCCOC2)CC1 ZINC000925605909 658862603 /nfs/dbraw/zinc/86/26/03/658862603.db2.gz JGFJUWGDGISGIL-CQSZACIVSA-N 2 0 270.421 -0.410 20 0 CBADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@H]2C[NH2+]CCOC2)CC1 ZINC000925620709 658864021 /nfs/dbraw/zinc/86/40/21/658864021.db2.gz XMWULGCPIPCDTF-SOUVJXGZSA-N 2 0 283.416 -0.058 20 0 CBADRP OCC[N@@H+]1CCCC[C@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925681162 658865470 /nfs/dbraw/zinc/86/54/70/658865470.db2.gz SYRBXSNTMJYPLM-OLZOCXBDSA-N 2 0 257.378 -0.589 20 0 CBADRP C(C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)CN1CC[NH2+]CC1 ZINC000925689684 658866083 /nfs/dbraw/zinc/86/60/83/658866083.db2.gz HWXWQWVDTNDPGU-LXFSFDBISA-N 3 0 264.417 -0.132 20 0 CBADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000925695688 658866236 /nfs/dbraw/zinc/86/62/36/658866236.db2.gz YDUJAYQTVZMAQI-NSHDSACASA-N 2 0 280.376 -0.113 20 0 CBADRP C1C[C@H]([NH+]2CCC(N[C@H]3C[NH2+]CCOC3)CC2)CO1 ZINC000925703702 658866631 /nfs/dbraw/zinc/86/66/31/658866631.db2.gz BDSNPXBPSLHCPI-KBPBESRZSA-N 2 0 269.389 -0.182 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)n1 ZINC000925717294 658866765 /nfs/dbraw/zinc/86/67/65/658866765.db2.gz SFGGEKNUFOIAOO-LIHPDXLKSA-N 2 0 275.356 -0.273 20 0 CBADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3COC[C@H]2C[C@H]([NH3+])C3)C1 ZINC000925701505 658867029 /nfs/dbraw/zinc/86/70/29/658867029.db2.gz ALXRXRWBBIATSB-IIVMTSGRSA-N 2 0 253.346 -0.408 20 0 CBADRP COCC1(C[NH2+][C@H]2CNCCOC2)CC[NH2+]CC1 ZINC000925701040 658867153 /nfs/dbraw/zinc/86/71/53/658867153.db2.gz UVHXHWLVWMRHKK-LBPRGKRZSA-N 2 0 257.378 -0.419 20 0 CBADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]CCN1CC[C@H](O)C1 ZINC000925724285 658867933 /nfs/dbraw/zinc/86/79/33/658867933.db2.gz IOBOTCMEOLLNSH-ZUWCUPBKSA-N 2 0 269.389 -0.605 20 0 CBADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]CCN1CC[C@H](O)C1 ZINC000925724282 658867944 /nfs/dbraw/zinc/86/79/44/658867944.db2.gz IOBOTCMEOLLNSH-MQLXINIDSA-N 2 0 269.389 -0.605 20 0 CBADRP c1c(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)nnn1[C@H]1CC[NH2+]C1 ZINC000925719121 658868150 /nfs/dbraw/zinc/86/81/50/658868150.db2.gz OQFGOCGQSRVNQD-VZAFDTFASA-N 2 0 288.399 -0.102 20 0 CBADRP [NH3+]CCCOCC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925720629 658868194 /nfs/dbraw/zinc/86/81/94/658868194.db2.gz ZUEFOWDIYNFCBD-FNFFVJSTSA-N 3 0 257.378 -0.306 20 0 CBADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]CCN1CC[C@H](O)C1 ZINC000925724284 658868203 /nfs/dbraw/zinc/86/82/03/658868203.db2.gz IOBOTCMEOLLNSH-ZSLBOAEBSA-N 2 0 269.389 -0.605 20 0 CBADRP [NH3+][C@@H]1CCN(c2cccc(CN[C@@H]3C[NH2+]CCOC3)n2)C1 ZINC000925729582 658868644 /nfs/dbraw/zinc/86/86/44/658868644.db2.gz JIXSPYOCAKSBRG-TZMCWYRMSA-N 2 0 291.399 -0.303 20 0 CBADRP CNS(=O)(=O)CCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925726867 658868876 /nfs/dbraw/zinc/86/88/76/658868876.db2.gz XNBHOEIZQYAQSD-UWVGGRQHSA-N 2 0 261.391 -0.215 20 0 CBADRP C(N[C@@H]1C[NH2+]CCOC1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000925732516 658868948 /nfs/dbraw/zinc/86/89/48/658868948.db2.gz YKFDMRKEGDBIGD-OLZOCXBDSA-N 2 0 269.389 -0.277 20 0 CBADRP [NH3+][C@H]1CCN(c2cccc(CN[C@@H]3C[NH2+]CCOC3)n2)C1 ZINC000925729579 658869091 /nfs/dbraw/zinc/86/90/91/658869091.db2.gz JIXSPYOCAKSBRG-GXTWGEPZSA-N 2 0 291.399 -0.303 20 0 CBADRP [NH3+][C@H]1CCN(c2cccc(CN[C@H]3C[NH2+]CCOC3)n2)C1 ZINC000925729580 658869164 /nfs/dbraw/zinc/86/91/64/658869164.db2.gz JIXSPYOCAKSBRG-JSGCOSHPSA-N 2 0 291.399 -0.303 20 0 CBADRP NC(=O)C[NH2+]C1CC2(CC(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC000965915342 658884254 /nfs/dbraw/zinc/88/42/54/658884254.db2.gz GKQLGBZGLDIUAI-UHFFFAOYSA-N 2 0 294.399 -0.416 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926294318 658891197 /nfs/dbraw/zinc/89/11/97/658891197.db2.gz CFNYATNQUWHWRF-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926334928 658892752 /nfs/dbraw/zinc/89/27/52/658892752.db2.gz WEFBZEFOFDBLNP-CHWSQXEVSA-N 2 0 296.415 -0.406 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000926332593 658893132 /nfs/dbraw/zinc/89/31/32/658893132.db2.gz GSJQDBMZYHQRHY-FRRDWIJNSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH3+] ZINC000926347959 658895671 /nfs/dbraw/zinc/89/56/71/658895671.db2.gz PSNCRSNCFRDBQO-YVECIDJPSA-N 2 0 296.415 -0.267 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C[C@H]1[NH3+] ZINC000926396861 658898913 /nfs/dbraw/zinc/89/89/13/658898913.db2.gz MRJISWLZUSOCMM-XQHKEYJVSA-N 2 0 294.399 -0.655 20 0 CBADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)Cn1ccnn1 ZINC000926572405 658904794 /nfs/dbraw/zinc/90/47/94/658904794.db2.gz HRIZYCPLBXOUPO-FXJUQPSGSA-N 2 0 265.361 -0.431 20 0 CBADRP CCO[C@H](CNC(=O)NCC[NH+]1CCC1)C[NH+](C)C ZINC000926834829 658915769 /nfs/dbraw/zinc/91/57/69/658915769.db2.gz AHFXZERLNCMDSM-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP CCO[C@H](CN[C@H]1C(=O)NCC12CCOCC2)C[NH+](C)C ZINC000926960527 658919108 /nfs/dbraw/zinc/91/91/08/658919108.db2.gz MJMVYXRZWGZTLL-OLZOCXBDSA-N 2 0 299.415 -0.162 20 0 CBADRP C[C@@H]1CC[N@H+](CCO)C[C@@H]1NC(=O)CN1CCCC1 ZINC000968652139 658937715 /nfs/dbraw/zinc/93/77/15/658937715.db2.gz PIBBTNZJPHCRGG-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1C[NH+](CCO)C1 ZINC000969677192 659010462 /nfs/dbraw/zinc/01/04/62/659010462.db2.gz NNPAQACIRJYPNJ-SMDDNHRTSA-N 2 0 281.400 -0.243 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000969956492 659025603 /nfs/dbraw/zinc/02/56/03/659025603.db2.gz XDYBAMQRSBJMQL-NWDGAFQWSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969948340 659025901 /nfs/dbraw/zinc/02/59/01/659025901.db2.gz KAPOTSCCTSQRFI-VXGBXAGGSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1)C(N)=O ZINC000969964585 659027732 /nfs/dbraw/zinc/02/77/32/659027732.db2.gz GLDUHHDBPRNEJY-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928559533 659041602 /nfs/dbraw/zinc/04/16/02/659041602.db2.gz ZLKKVGGVMKSWBY-NWDGAFQWSA-N 2 0 255.362 -0.225 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+]2C)CC1=O ZINC000928562305 659044487 /nfs/dbraw/zinc/04/44/87/659044487.db2.gz HVEVKEGJGRIUNB-NWDGAFQWSA-N 2 0 282.388 -0.783 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000928563871 659044733 /nfs/dbraw/zinc/04/47/33/659044733.db2.gz OMSBMIPQHJJWPU-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000928571554 659048067 /nfs/dbraw/zinc/04/80/67/659048067.db2.gz OXEKVFNJOJZIOV-AAEUAGOBSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCCO)C1 ZINC000970879110 659074474 /nfs/dbraw/zinc/07/44/74/659074474.db2.gz RQQVOBRXLXOSHF-VXGBXAGGSA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000971673548 659095954 /nfs/dbraw/zinc/09/59/54/659095954.db2.gz HHJMSWVMBIXQAN-NEPJUHHUSA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH+](C)CCO)C2)C1 ZINC000972335083 659117399 /nfs/dbraw/zinc/11/73/99/659117399.db2.gz MTOAIEXQHGJUBR-STQMWFEESA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972735223 659126306 /nfs/dbraw/zinc/12/63/06/659126306.db2.gz KHZUSSQNFVDYGI-CHWSQXEVSA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@@H](O)C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)C[C@H](C)O ZINC000929706833 659163048 /nfs/dbraw/zinc/16/30/48/659163048.db2.gz SPDHNXVYSWKHNO-SDDRHHMPSA-N 2 0 275.393 -0.884 20 0 CBADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](O)CO)C1 ZINC000929769869 659170138 /nfs/dbraw/zinc/17/01/38/659170138.db2.gz BPWDGWDJDBDMHB-CHWSQXEVSA-N 2 0 260.378 -0.228 20 0 CBADRP C[C@H](O)[C@H](O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000929951112 659187581 /nfs/dbraw/zinc/18/75/81/659187581.db2.gz ATONHIXIVMMNGB-WCQYABFASA-N 2 0 287.404 -0.882 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@@H](O)CO ZINC000930059289 659201138 /nfs/dbraw/zinc/20/11/38/659201138.db2.gz CLHGNRTZPAETPE-FDYHWXHSSA-N 2 0 258.362 -0.477 20 0 CBADRP C[C@@H](O)[C@@H](O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000930113124 659210354 /nfs/dbraw/zinc/21/03/54/659210354.db2.gz CNIJVIFUTJCZCA-OCCSQVGLSA-N 2 0 273.421 -0.314 20 0 CBADRP O=C(NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000978989517 659235125 /nfs/dbraw/zinc/23/51/25/659235125.db2.gz VJOXLAOBJOZGMG-XYYAHUGASA-N 2 0 279.384 -0.632 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC000980412469 659271682 /nfs/dbraw/zinc/27/16/82/659271682.db2.gz KGYZJLTYWFCTKG-KBPBESRZSA-N 2 0 299.415 -0.520 20 0 CBADRP CON1CC[C@H]([N@H+](C)CCCN(C)CC[NH+](C)C)C1=O ZINC000930503421 659299997 /nfs/dbraw/zinc/29/99/97/659299997.db2.gz RLZQHCMDLVCVQP-ZDUSSCGKSA-N 2 0 286.420 -0.036 20 0 CBADRP CON1CC[C@@H]([N@H+](C)CCCN(C)CC[NH+](C)C)C1=O ZINC000930503420 659300661 /nfs/dbraw/zinc/30/06/61/659300661.db2.gz RLZQHCMDLVCVQP-CYBMUJFWSA-N 2 0 286.420 -0.036 20 0 CBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[N@@H+](CCO)CC1 ZINC000981169501 659309726 /nfs/dbraw/zinc/30/97/26/659309726.db2.gz ZTEHYAMDGJINLL-AWEZNQCLSA-N 2 0 281.400 -0.145 20 0 CBADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)C[C@H](C)[N@H+]1CCO ZINC000930645647 659314914 /nfs/dbraw/zinc/31/49/14/659314914.db2.gz ZNYNQLQDEYKFTJ-ZNMIVQPWSA-N 2 0 285.432 -0.170 20 0 CBADRP NC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981462426 659318584 /nfs/dbraw/zinc/31/85/84/659318584.db2.gz WLMUMCKITFAAIQ-RYUDHWBXSA-N 2 0 294.399 -0.416 20 0 CBADRP C[C@@H]1C[N@H+](CCO)CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000930675399 659321252 /nfs/dbraw/zinc/32/12/52/659321252.db2.gz OPEIOGVWVBGXMD-KGLIPLIRSA-N 2 0 271.405 -0.559 20 0 CBADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C[C@H](O)C[NH+]1CCCC1 ZINC000930744350 659333740 /nfs/dbraw/zinc/33/37/40/659333740.db2.gz VQLNOQCPMNOYIQ-RBSFLKMASA-N 2 0 285.432 -0.170 20 0 CBADRP O=C(N1CC2(C1)CCC[N@@H+](CCO)C2)C12CC[NH+](CC1)C2 ZINC000982120481 659340772 /nfs/dbraw/zinc/34/07/72/659340772.db2.gz XUFSWXROFFTROI-UHFFFAOYSA-N 2 0 293.411 -0.001 20 0 CBADRP C[C@H](O)[C@H](O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000930823715 659345137 /nfs/dbraw/zinc/34/51/37/659345137.db2.gz TUPNFTMVZZQTMC-NWDGAFQWSA-N 2 0 258.362 -0.475 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCNC3=O)C2)C1 ZINC000985120642 659373822 /nfs/dbraw/zinc/37/38/22/659373822.db2.gz WOBYIJTWFKLVPW-FDYHWXHSSA-N 2 0 294.399 -0.689 20 0 CBADRP C[NH+](C)[C@@H]1[C@H]2CN(CC(=O)NC3CC[NH+](C)CC3)C[C@H]21 ZINC000931276937 659423019 /nfs/dbraw/zinc/42/30/19/659423019.db2.gz LTRAMQJFYKHFIC-NHAGDIPZSA-N 2 0 280.416 -0.311 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000987282305 659499275 /nfs/dbraw/zinc/49/92/75/659499275.db2.gz WGAITEHPFGONPF-JSGCOSHPSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@@H]1[C@@H]([NH2+]CCO)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000987282306 659499497 /nfs/dbraw/zinc/49/94/97/659499497.db2.gz WGAITEHPFGONPF-OCCSQVGLSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H]2C(=O)NCC2(C)C)CC1 ZINC000931664831 659507435 /nfs/dbraw/zinc/50/74/35/659507435.db2.gz DTFIMDOUDDNJPD-ZDUSSCGKSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)C[N@H+](C)C1CCC1 ZINC000988968289 659565429 /nfs/dbraw/zinc/56/54/29/659565429.db2.gz RRKZAQDWBWXVCD-WDEREUQCSA-N 2 0 282.388 -0.465 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(=O)cc[nH]1 ZINC000932033710 659567475 /nfs/dbraw/zinc/56/74/75/659567475.db2.gz FGTMMIKOXQGPQD-UHFFFAOYSA-N 2 0 280.372 -0.060 20 0 CBADRP CCn1cc(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn1 ZINC000932035320 659568194 /nfs/dbraw/zinc/56/81/94/659568194.db2.gz SLEYCDKACUQEMP-UHFFFAOYSA-N 2 0 296.419 -0.208 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989390101 659582971 /nfs/dbraw/zinc/58/29/71/659582971.db2.gz MSSQTFXUFZVAOR-JQWIXIFHSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000989449904 659588599 /nfs/dbraw/zinc/58/85/99/659588599.db2.gz LBIUKKFMKVOCRY-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC000989606810 659601755 /nfs/dbraw/zinc/60/17/55/659601755.db2.gz VJMXMTYWPFRSQM-OLZOCXBDSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CCO)CN1C(=O)COC1CC[NH+](C)CC1 ZINC000989623122 659603699 /nfs/dbraw/zinc/60/36/99/659603699.db2.gz RYCJYEWLMJKGSX-OLZOCXBDSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[C@H](C(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC000990507896 659753249 /nfs/dbraw/zinc/75/32/49/659753249.db2.gz IHYYEFNULGQBOO-CHWSQXEVSA-N 2 0 296.415 -0.252 20 0 CBADRP CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)CC[NH+](C)C ZINC000934010384 659756797 /nfs/dbraw/zinc/75/67/97/659756797.db2.gz BBLATDKLUOANOW-BETUJISGSA-N 2 0 298.431 -0.338 20 0 CBADRP C[N@H+](C[C@H](O)CN1CC[C@@H]2[C@H]1CCC[NH+]2CCO)C1CC1 ZINC000934270745 659799533 /nfs/dbraw/zinc/79/95/33/659799533.db2.gz YCEAUCWLESNTIC-ARFHVFGLSA-N 2 0 297.443 -0.028 20 0 CBADRP C[NH+]1CC[C@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000991725356 659843112 /nfs/dbraw/zinc/84/31/12/659843112.db2.gz ZHNSLHGAOXATBL-RYUDHWBXSA-N 2 0 294.399 -0.783 20 0 CBADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CCO ZINC000939063186 659883301 /nfs/dbraw/zinc/88/33/01/659883301.db2.gz BNRIFUKYGOCDKZ-DGCLKSJQSA-N 2 0 269.389 -0.243 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000995551471 659901268 /nfs/dbraw/zinc/90/12/68/659901268.db2.gz NEQYWHPDPBPILM-MNOVXSKESA-N 2 0 282.388 -0.608 20 0 CBADRP Cc1cnc(N2CCN3CC[NH2+]C[C@H]3C2)c(C[NH3+])c1 ZINC001164407436 718837524 /nfs/dbraw/zinc/83/75/24/718837524.db2.gz WVRXUYNXNUXYMD-ZDUSSCGKSA-N 2 0 261.373 -0.057 20 0 CBADRP c1nc(C2C[NH2+]C2)cc(N2CCN3CC[NH2+]C[C@H]3C2)n1 ZINC001164399656 718844655 /nfs/dbraw/zinc/84/46/55/718844655.db2.gz DDFODXBJDLYBND-LBPRGKRZSA-N 2 0 274.372 -0.743 20 0 CBADRP C[N@@H+]1CCO[C@H]2CN(c3ncnc4c3CC[NH2+]CC4)C[C@H]21 ZINC001164666295 719370744 /nfs/dbraw/zinc/37/07/44/719370744.db2.gz DRBVEVYVRLBQCL-KGLIPLIRSA-N 2 0 289.383 -0.316 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001076467791 805579229 /nfs/dbraw/zinc/57/92/29/805579229.db2.gz SMGNLJKEYHGGLD-HZSPNIEDSA-N 2 0 293.411 -0.004 20 0 CBADRP CC(C)(C)[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCN2)CC1 ZINC000062812985 790343106 /nfs/dbraw/zinc/34/31/06/790343106.db2.gz IMAJGLANJVAPKE-LLVKDONJSA-N 2 0 254.378 -0.510 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000089699256 790368330 /nfs/dbraw/zinc/36/83/30/790368330.db2.gz DATXBQLJUKALEN-SNVBAGLBSA-N 2 0 266.349 -0.692 20 0 CBADRP COCCOC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000234898571 790443685 /nfs/dbraw/zinc/44/36/85/790443685.db2.gz MIGZNUYOKIFLRS-CHWSQXEVSA-N 2 0 260.378 -0.058 20 0 CBADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H](O)COCCOC)C1 ZINC000300258717 790469746 /nfs/dbraw/zinc/46/97/46/790469746.db2.gz IXKJKHTWXDDYCT-STQMWFEESA-N 2 0 260.378 -0.058 20 0 CBADRP CS(=O)(=O)NCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000385603674 790543398 /nfs/dbraw/zinc/54/33/98/790543398.db2.gz MAKUPLNPYBMAPY-KKJSVHSVSA-N 2 0 273.402 -0.488 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN1CCC[C@@H](C(N)=O)C1 ZINC000386117223 790545117 /nfs/dbraw/zinc/54/51/17/790545117.db2.gz MDBAIIGWRCQBGK-NEPJUHHUSA-N 2 0 257.378 -0.114 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000389242273 790562246 /nfs/dbraw/zinc/56/22/46/790562246.db2.gz BTAYFZDMKDOORN-IHRRRGAJSA-N 2 0 273.421 -0.050 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394393513 790576193 /nfs/dbraw/zinc/57/61/93/790576193.db2.gz ZKGGVFWFIHGNCU-DGCLKSJQSA-N 2 0 266.389 -0.367 20 0 CBADRP CC(C)(O)C[NH+]1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000394327925 790576739 /nfs/dbraw/zinc/57/67/39/790576739.db2.gz LNEFTTDIBMXZNM-AWEZNQCLSA-N 2 0 285.432 -0.168 20 0 CBADRP [NH3+][C@@H](CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)C1CC1 ZINC000394385582 790576781 /nfs/dbraw/zinc/57/67/81/790576781.db2.gz MLERMSOGJFHYEU-OLZOCXBDSA-N 2 0 266.389 -0.380 20 0 CBADRP COCCN(C)C[C@@H](O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000394074094 790576883 /nfs/dbraw/zinc/57/68/83/790576883.db2.gz SXAYFFIRHRNUNX-CQSZACIVSA-N 2 0 273.421 -0.014 20 0 CBADRP [NH3+][C@H](CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)C1CC1 ZINC000394385581 790577075 /nfs/dbraw/zinc/57/70/75/790577075.db2.gz MLERMSOGJFHYEU-CHWSQXEVSA-N 2 0 266.389 -0.380 20 0 CBADRP [NH3+]CCS(=O)(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000398278373 790596289 /nfs/dbraw/zinc/59/62/89/790596289.db2.gz FCCZFUQSPACQIS-WDNDVIMCSA-N 2 0 295.408 -0.005 20 0 CBADRP C[NH+]1CCC(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000400273775 790605139 /nfs/dbraw/zinc/60/51/39/790605139.db2.gz ZBAZYQGSCGXFCO-GFCCVEGCSA-N 2 0 275.418 -0.048 20 0 CBADRP CCO[C@@H]1CN(CCN2CCOC2=O)C[C@H]1C[NH3+] ZINC000405214341 790616898 /nfs/dbraw/zinc/61/68/98/790616898.db2.gz MRVVSTWCGJLJRE-GHMZBOCLSA-N 2 0 257.334 -0.266 20 0 CBADRP CC1(C)[C@H]([NH2+]CCN2CCCS2(=O)=O)C[C@@H]1[NH3+] ZINC000405500713 790618984 /nfs/dbraw/zinc/61/89/84/790618984.db2.gz SLRYGTGOHYPUCX-VHSXEESVSA-N 2 0 261.391 -0.263 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(CCN2CCCS2(=O)=O)C1 ZINC000695077035 790687567 /nfs/dbraw/zinc/68/75/67/790687567.db2.gz MYWZTHQMUBOGHN-WDEREUQCSA-N 2 0 261.391 -0.309 20 0 CBADRP C[C@H](CCNS(=O)(=O)[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000697905706 790694282 /nfs/dbraw/zinc/69/42/82/790694282.db2.gz HIFBNWMJIMZSSD-MNOVXSKESA-N 2 0 263.407 -0.002 20 0 CBADRP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000699326652 790700922 /nfs/dbraw/zinc/70/09/22/790700922.db2.gz HCAONRHRMYBWQJ-LLVKDONJSA-N 2 0 263.407 -0.061 20 0 CBADRP C[C@@H]1CC[C@@H](N2CCN(CC(=O)N(C)C)CC2)C[NH2+]1 ZINC000700800585 790709775 /nfs/dbraw/zinc/70/97/75/790709775.db2.gz HRKVBSFAVSFFBN-CHWSQXEVSA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000705906628 790726233 /nfs/dbraw/zinc/72/62/33/790726233.db2.gz VKGWMBAXXDTNTF-GFCCVEGCSA-N 2 0 269.389 -0.051 20 0 CBADRP O=C(NCCO)C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000711886756 790747767 /nfs/dbraw/zinc/74/77/67/790747767.db2.gz KMXNVCRLETXXRM-NSHDSACASA-N 2 0 255.362 -0.584 20 0 CBADRP O[C@H](CN1CCOCC1)CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000714976503 790751264 /nfs/dbraw/zinc/75/12/64/790751264.db2.gz WAPCERSMSTUPHV-KFWWJZLASA-N 2 0 283.416 -0.247 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000715844383 790751305 /nfs/dbraw/zinc/75/13/05/790751305.db2.gz DWGHGHXIPQQCTF-MNOVXSKESA-N 2 0 253.346 -0.343 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N1CCC[N@H+](C)CC1 ZINC000719193615 790759449 /nfs/dbraw/zinc/75/94/49/790759449.db2.gz SETLCDADYZXPSP-UHFFFAOYSA-N 2 0 251.334 -0.344 20 0 CBADRP CN1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000720514011 790766273 /nfs/dbraw/zinc/76/62/73/790766273.db2.gz SMMDJDAQNPJWNI-KBPBESRZSA-N 2 0 280.416 -0.023 20 0 CBADRP COC[C@@H](C)OC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720646105 790770588 /nfs/dbraw/zinc/77/05/88/790770588.db2.gz IMCRAKOBFODJLM-ZOBORPQBSA-N 2 0 272.389 -0.060 20 0 CBADRP CN1C[C@@H](CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1=O ZINC000723370907 790799454 /nfs/dbraw/zinc/79/94/54/790799454.db2.gz NWDVECUFXGXIQR-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP CN1C[C@H](CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1=O ZINC000723370903 790799755 /nfs/dbraw/zinc/79/97/55/790799755.db2.gz NWDVECUFXGXIQR-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000724937533 790813263 /nfs/dbraw/zinc/81/32/63/790813263.db2.gz VNLUDWLCRXDZGI-QWHCGFSZSA-N 2 0 285.388 -0.421 20 0 CBADRP [NH3+]CC1(O)CC[NH+](C[C@@H]2C[C@H]3COC[C@H]3O2)CC1 ZINC000724589053 790808147 /nfs/dbraw/zinc/80/81/47/790808147.db2.gz FFOLXVXRJFBTMT-SDDRHHMPSA-N 2 0 256.346 -0.424 20 0 CBADRP C[N@H+](CCO[C@@H]1CCOC1)CCN1CC[NH2+]CC1 ZINC000724930544 790815158 /nfs/dbraw/zinc/81/51/58/790815158.db2.gz KYOPRZXLYODHEI-CYBMUJFWSA-N 2 0 257.378 -0.371 20 0 CBADRP CN(C[C@@H](O)C[NH+]1CCCC1)C1(C[NH3+])CCOCC1 ZINC000725053466 790815583 /nfs/dbraw/zinc/81/55/83/790815583.db2.gz XSYSSJJQTYLHAD-CYBMUJFWSA-N 2 0 271.405 -0.117 20 0 CBADRP C[C@@]1(CNS(=O)(=O)N2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000822306709 790832722 /nfs/dbraw/zinc/83/27/22/790832722.db2.gz JVKJLTQKVXCJAP-LLVKDONJSA-N 2 0 276.406 -0.884 20 0 CBADRP CN(CC[N@H+](C)CCO)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC000912598126 790914802 /nfs/dbraw/zinc/91/48/02/790914802.db2.gz BVZJAYGYYDTKMD-LBPRGKRZSA-N 2 0 257.378 -0.289 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001021897310 790966196 /nfs/dbraw/zinc/96/61/96/790966196.db2.gz HMPQZVSCATUYRI-WRWGMCAJSA-N 2 0 280.372 -0.794 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001021896047 790966242 /nfs/dbraw/zinc/96/62/42/790966242.db2.gz UIFYZZZUFQBZQB-FRRDWIJNSA-N 2 0 294.399 -0.450 20 0 CBADRP Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)[nH]1 ZINC001021904646 790969340 /nfs/dbraw/zinc/96/93/40/790969340.db2.gz BDZOFGSZWNFJPA-TUAOUCFPSA-N 2 0 292.387 -0.056 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001022089871 790989329 /nfs/dbraw/zinc/98/93/29/790989329.db2.gz NGSLLWPSQCSRHJ-RUZUBIRVSA-N 2 0 281.400 -0.054 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001022105177 790991999 /nfs/dbraw/zinc/99/19/99/790991999.db2.gz SPDXTJCTWIFWTN-CHWFTXMASA-N 2 0 268.361 -0.951 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001022164877 790993937 /nfs/dbraw/zinc/99/39/37/790993937.db2.gz SNNYANZNADZLNS-WUHRBBMRSA-N 2 0 296.415 -0.029 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022350390 791005693 /nfs/dbraw/zinc/00/56/93/791005693.db2.gz LOYCGYVKWLBEMH-FRRDWIJNSA-N 2 0 296.415 -0.171 20 0 CBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001022455080 791014330 /nfs/dbraw/zinc/01/43/30/791014330.db2.gz GDCAPIOKBXUHBX-DPWYMPPLSA-N 2 0 295.383 -0.921 20 0 CBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001022455081 791015705 /nfs/dbraw/zinc/01/57/05/791015705.db2.gz GDCAPIOKBXUHBX-UOQZBTRHSA-N 2 0 295.383 -0.921 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001022646992 791038850 /nfs/dbraw/zinc/03/88/50/791038850.db2.gz BOOWRYCBACOWIO-FRRDWIJNSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001022715973 791040644 /nfs/dbraw/zinc/04/06/44/791040644.db2.gz OZQFXYJTPGIYSB-LPWJVIDDSA-N 2 0 269.389 -0.054 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1)C(N)=O ZINC001022713746 791041580 /nfs/dbraw/zinc/04/15/80/791041580.db2.gz MBXMKESTYLXVPD-RVMXOQNASA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1)C(N)=O ZINC001022714529 791042330 /nfs/dbraw/zinc/04/23/30/791042330.db2.gz WFBQWJIXQBHJQS-WHOHXGKFSA-N 2 0 282.388 -0.561 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147886326 814924183 /nfs/dbraw/zinc/92/41/83/814924183.db2.gz UIQJVRIOJGYVRI-ZDUSSCGKSA-N 2 0 298.431 -0.194 20 0 CBADRP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077004302 805670897 /nfs/dbraw/zinc/67/08/97/805670897.db2.gz XTRNWJILSURUJN-BFHYXJOUSA-N 2 0 297.399 -0.864 20 0 CBADRP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077004260 805672054 /nfs/dbraw/zinc/67/20/54/805672054.db2.gz WCUYXAPYEKDIJA-MGPQQGTHSA-N 2 0 281.400 -0.102 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147886369 814924475 /nfs/dbraw/zinc/92/44/75/814924475.db2.gz VKAIJXOEBOXIJZ-WDEREUQCSA-N 2 0 270.377 -0.832 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147886584 814924580 /nfs/dbraw/zinc/92/45/80/814924580.db2.gz XZPZTGJQOKBMBB-VXGBXAGGSA-N 2 0 273.377 -0.959 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418527 805727834 /nfs/dbraw/zinc/72/78/34/805727834.db2.gz STIAPRISODZIJJ-YGFYLSKRSA-N 2 0 295.383 -0.969 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001077553976 805747097 /nfs/dbraw/zinc/74/70/97/805747097.db2.gz XOCMOTYQGYFKDO-BFHYXJOUSA-N 2 0 299.415 -0.738 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001077675198 805763119 /nfs/dbraw/zinc/76/31/19/805763119.db2.gz FDCFXRPEPBAKAA-IJLUTSLNSA-N 2 0 255.362 -0.348 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CCOCCO)C1 ZINC001147886456 814925280 /nfs/dbraw/zinc/92/52/80/814925280.db2.gz WPFUZEFHASKTIZ-LBPRGKRZSA-N 2 0 273.377 -0.957 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778303 805781566 /nfs/dbraw/zinc/78/15/66/805781566.db2.gz BUFGANWZWOFFNZ-MRVWCRGKSA-N 2 0 299.415 -0.740 20 0 CBADRP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078008573 805821622 /nfs/dbraw/zinc/82/16/22/805821622.db2.gz LLHOPEBMLKXWAO-YNEHKIRRSA-N 2 0 269.389 -0.102 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@H]2O)C1 ZINC001078174093 805848056 /nfs/dbraw/zinc/84/80/56/805848056.db2.gz BBMHUGMXOOJQBU-YNEHKIRRSA-N 2 0 267.373 -0.491 20 0 CBADRP CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078175735 805848228 /nfs/dbraw/zinc/84/82/28/805848228.db2.gz KHRULUZXFJQEPY-JHJVBQTASA-N 2 0 269.389 -0.245 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCC3)C[C@H]2O)C1 ZINC001078174546 805849473 /nfs/dbraw/zinc/84/94/73/805849473.db2.gz PATZNLMDTVFOGD-MGPQQGTHSA-N 2 0 281.400 -0.101 20 0 CBADRP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078175750 805849596 /nfs/dbraw/zinc/84/95/96/805849596.db2.gz KXHDXVNQUDJTDB-QJPTWQEYSA-N 2 0 255.362 -0.491 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@H]2O)C1 ZINC001078174314 805849790 /nfs/dbraw/zinc/84/97/90/805849790.db2.gz HYMFIYJMADGMOT-IJLUTSLNSA-N 2 0 273.352 -0.541 20 0 CBADRP NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001078812377 805891988 /nfs/dbraw/zinc/89/19/88/805891988.db2.gz JLOANYRMICCPSL-NEPJUHHUSA-N 2 0 294.399 -0.416 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079489634 805920291 /nfs/dbraw/zinc/92/02/91/805920291.db2.gz IEVLQPPQOHVPLX-IJLUTSLNSA-N 2 0 255.362 -0.491 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001147900681 814926435 /nfs/dbraw/zinc/92/64/35/814926435.db2.gz UIULCHPYVGBVPP-NEPJUHHUSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079724056 805941650 /nfs/dbraw/zinc/94/16/50/805941650.db2.gz YAUFRQPPEYWRLA-FDYHWXHSSA-N 2 0 269.389 -0.245 20 0 CBADRP Cc1cncn1CC(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1C ZINC001080138738 805960108 /nfs/dbraw/zinc/96/01/08/805960108.db2.gz OXZJBCZYWVQMIO-ADEWGFFLSA-N 2 0 293.371 -0.498 20 0 CBADRP CNC(=O)CN1C[C@@H](C)[C@H](NC(=O)Cn2cncc2C)C1 ZINC001080138123 805961956 /nfs/dbraw/zinc/96/19/56/805961956.db2.gz FAUSRMKRFNVFGL-ZYHUDNBSSA-N 2 0 293.371 -0.626 20 0 CBADRP CN(C(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001147970608 814927458 /nfs/dbraw/zinc/92/74/58/814927458.db2.gz MQOJNKCJHLENBX-UHFFFAOYSA-N 2 0 294.399 -0.591 20 0 CBADRP C[C@H](O)CCC[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977400 814927583 /nfs/dbraw/zinc/92/75/83/814927583.db2.gz RCNCDKGPMDDSGR-LBPRGKRZSA-N 2 0 269.389 -0.051 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080787514 806011209 /nfs/dbraw/zinc/01/12/09/806011209.db2.gz DLKXMIJOIDZHHF-FRRDWIJNSA-N 2 0 281.400 -0.101 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977016 814928214 /nfs/dbraw/zinc/92/82/14/814928214.db2.gz GJFDNPDRJDCMML-UHFFFAOYSA-N 2 0 282.388 -0.687 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147999695 814929274 /nfs/dbraw/zinc/92/92/74/814929274.db2.gz CTKSFCFLDIFBAS-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1)[NH+](C)C ZINC001082589611 806186156 /nfs/dbraw/zinc/18/61/56/806186156.db2.gz IFVMUXIEJBLIME-IJLUTSLNSA-N 2 0 257.378 -0.245 20 0 CBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C)C(N)=O ZINC001082561594 806186304 /nfs/dbraw/zinc/18/63/04/806186304.db2.gz CXFUWKGFPUPUAV-NTZNESFSSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(N)=O ZINC001082570209 806186505 /nfs/dbraw/zinc/18/65/05/806186505.db2.gz BYASOKSXYZMFFU-FRRDWIJNSA-N 2 0 296.415 -0.217 20 0 CBADRP CCOCC[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001148000124 814929742 /nfs/dbraw/zinc/92/97/42/814929742.db2.gz LIGWMURGIFGNSB-UHFFFAOYSA-N 2 0 255.362 -0.176 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148051478 814930668 /nfs/dbraw/zinc/93/06/68/814930668.db2.gz KMGACHXSRWVRQI-UHFFFAOYSA-N 2 0 293.371 -0.445 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148051222 814930942 /nfs/dbraw/zinc/93/09/42/814930942.db2.gz CWVSWPCVLLIEDU-SNVBAGLBSA-N 2 0 293.371 -0.399 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCO)C[C@H]21 ZINC001084231473 806503204 /nfs/dbraw/zinc/50/32/04/806503204.db2.gz BFVKWEJRQCCFSC-JHJVBQTASA-N 2 0 267.373 -0.394 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCO)C[C@H]21 ZINC001084455475 806520777 /nfs/dbraw/zinc/52/07/77/806520777.db2.gz WUOFCKHMUXOXFO-HZSPNIEDSA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001085202092 806549526 /nfs/dbraw/zinc/54/95/26/806549526.db2.gz NUEMCZPCSNCWQH-FDYHWXHSSA-N 2 0 296.415 -0.171 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085245402 806550426 /nfs/dbraw/zinc/55/04/26/806550426.db2.gz WERLLYJGXKKFSN-UPJWGTAASA-N 2 0 296.415 -0.027 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001085395314 806555265 /nfs/dbraw/zinc/55/52/65/806555265.db2.gz FWDKLBPEVHVVKH-VXGBXAGGSA-N 2 0 294.399 -0.416 20 0 CBADRP CN(C[C@@H]1CC[N@@H+]1CCCO)C(=O)[C@H]1CCC[NH+]1C ZINC001085519776 806571095 /nfs/dbraw/zinc/57/10/95/806571095.db2.gz XIZSEPQKJZRCQV-QWHCGFSZSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001086047097 806638710 /nfs/dbraw/zinc/63/87/10/806638710.db2.gz DUZZJJKOQIZKMI-NDBYEHHHSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001086047096 806639441 /nfs/dbraw/zinc/63/94/41/806639441.db2.gz DUZZJJKOQIZKMI-FVCCEPFGSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001022975559 798869894 /nfs/dbraw/zinc/86/98/94/798869894.db2.gz ONBONZNHHJROPQ-FIQHERPVSA-N 2 0 282.388 -0.561 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022973299 798870512 /nfs/dbraw/zinc/87/05/12/798870512.db2.gz GRFHKYQFOXJGKY-GARJFASQSA-N 2 0 268.361 -0.950 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001022975562 798870533 /nfs/dbraw/zinc/87/05/33/798870533.db2.gz ONBONZNHHJROPQ-WHOHXGKFSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001022975866 798871006 /nfs/dbraw/zinc/87/10/06/798871006.db2.gz VYCJSWIYMWPGRM-LPWJVIDDSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001022975561 798871015 /nfs/dbraw/zinc/87/10/15/798871015.db2.gz ONBONZNHHJROPQ-KXNHARMFSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001022980151 798871557 /nfs/dbraw/zinc/87/15/57/798871557.db2.gz IIBMTBMNKPQHOV-MXWKQRLJSA-N 2 0 280.372 -0.807 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001022981318 798871678 /nfs/dbraw/zinc/87/16/78/798871678.db2.gz JVHMGBWKDJEMIR-SDDRHHMPSA-N 2 0 267.373 -0.300 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC001023086336 798879419 /nfs/dbraw/zinc/87/94/19/798879419.db2.gz IKLWJSLLCJWZFC-UPJWGTAASA-N 2 0 292.387 -0.533 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001023086668 798879619 /nfs/dbraw/zinc/87/96/19/798879619.db2.gz SZASUUBNTYJYKE-WISYIIOYSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001023083884 798879750 /nfs/dbraw/zinc/87/97/50/798879750.db2.gz CGLUCNZFXSIBJV-DBIOUOCHSA-N 2 0 268.361 -0.951 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001023088743 798881389 /nfs/dbraw/zinc/88/13/89/798881389.db2.gz HADVXWUTTMAUOY-MXWKQRLJSA-N 2 0 268.361 -0.807 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001023128671 798885577 /nfs/dbraw/zinc/88/55/77/798885577.db2.gz OBEZOPXPIHQYGN-RVMXOQNASA-N 2 0 296.415 -0.029 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+](CCO)C2)C1 ZINC001023750837 798922060 /nfs/dbraw/zinc/92/20/60/798922060.db2.gz XZMNTTHZTQGJIA-CHWSQXEVSA-N 2 0 269.389 -0.241 20 0 CBADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001025708334 798971522 /nfs/dbraw/zinc/97/15/22/798971522.db2.gz PGOZZTKUSNBVOX-BNDIWNMDSA-N 2 0 294.399 -0.739 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001026140331 798990651 /nfs/dbraw/zinc/99/06/51/798990651.db2.gz GEQXNRFIRTXHFY-NTASLKFISA-N 2 0 281.400 -0.245 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cnon3)C2)C1 ZINC001027216870 799033631 /nfs/dbraw/zinc/03/36/31/799033631.db2.gz YNWOBYISTSALSW-RYUDHWBXSA-N 2 0 293.371 -0.041 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC001028320571 799123504 /nfs/dbraw/zinc/12/35/04/799123504.db2.gz SOKWOFSEJCEBMB-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP CN1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](CCF)C2)C1 ZINC001028465956 799140322 /nfs/dbraw/zinc/14/03/22/799140322.db2.gz NTCRSFBKVMMVDQ-NEPJUHHUSA-N 2 0 273.352 -0.275 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001028550135 799151275 /nfs/dbraw/zinc/15/12/75/799151275.db2.gz ILUBURGONXAHIA-IJLUTSLNSA-N 2 0 282.388 -0.750 20 0 CBADRP NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028546330 799151534 /nfs/dbraw/zinc/15/15/34/799151534.db2.gz ZEBNVPNOTCZRTI-WCQYABFASA-N 2 0 294.399 -0.748 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001028635696 799156254 /nfs/dbraw/zinc/15/62/54/799156254.db2.gz DWDFUUDQMBWSDZ-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028776851 799169297 /nfs/dbraw/zinc/16/92/97/799169297.db2.gz VSVYAMPDABZLFT-GFCCVEGCSA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028778812 799169630 /nfs/dbraw/zinc/16/96/30/799169630.db2.gz MFTVFTKKWNYTJM-NWDGAFQWSA-N 2 0 296.415 -0.360 20 0 CBADRP O=C(NC[C@H]1CC[N@@H+](CCCO)C1)C12CC[NH+](CC1)C2 ZINC001028930197 799181110 /nfs/dbraw/zinc/18/11/10/799181110.db2.gz BBJSMTHNYNAGAX-CYBMUJFWSA-N 2 0 281.400 -0.097 20 0 CBADRP NC(=O)C[N@@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028933627 799181437 /nfs/dbraw/zinc/18/14/37/799181437.db2.gz ROXHZADBANTKQF-LLVKDONJSA-N 2 0 280.372 -0.994 20 0 CBADRP C[C@H](O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031585192 799513131 /nfs/dbraw/zinc/51/31/31/799513131.db2.gz RTXOZECDOACLPH-CMPLNLGQSA-N 2 0 255.362 -0.491 20 0 CBADRP O=C(NCC1C[NH+](CCO)C1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001031669640 799530797 /nfs/dbraw/zinc/53/07/97/799530797.db2.gz PUPTZKFESMMGAT-KGLIPLIRSA-N 2 0 281.400 -0.099 20 0 CBADRP O=C(NCC1C[NH+](CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031674854 799532588 /nfs/dbraw/zinc/53/25/88/799532588.db2.gz QQDOKOPJPDQRDO-CYBMUJFWSA-N 2 0 267.373 -0.632 20 0 CBADRP COCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031688245 799533289 /nfs/dbraw/zinc/53/32/89/799533289.db2.gz BGEFXVMLQLSOLD-UONOGXRCSA-N 2 0 297.399 -0.456 20 0 CBADRP O=C(NCC1C[NH+](CCCO)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688227 799533978 /nfs/dbraw/zinc/53/39/78/799533978.db2.gz ATDJGQLZPRXDJQ-ZIAGYGMSSA-N 2 0 297.399 -0.720 20 0 CBADRP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001031776317 799541995 /nfs/dbraw/zinc/54/19/95/799541995.db2.gz IBIFDRPQQJTAOS-DGCLKSJQSA-N 2 0 269.389 -0.101 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCCO)C1 ZINC001031772413 799542597 /nfs/dbraw/zinc/54/25/97/799542597.db2.gz TXBAEHQQDNNABB-ZDUSSCGKSA-N 2 0 269.389 -0.099 20 0 CBADRP CC(C)[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@H](C)O)C2)C1 ZINC001031921523 799562598 /nfs/dbraw/zinc/56/25/98/799562598.db2.gz RWAVCAKUTCWMCO-JSGCOSHPSA-N 2 0 299.415 -0.476 20 0 CBADRP COCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031977424 799568519 /nfs/dbraw/zinc/56/85/19/799568519.db2.gz ZPIFJXNHWJORTJ-YPMHNXCESA-N 2 0 269.389 -0.122 20 0 CBADRP COCC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032185599 799589907 /nfs/dbraw/zinc/58/99/07/799589907.db2.gz AGOIAQMPHVJDOC-LBPRGKRZSA-N 2 0 255.362 -0.368 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCn3cccn3)C2)C1 ZINC001032186740 799592755 /nfs/dbraw/zinc/59/27/55/799592755.db2.gz VLHBPJWKYCCMQR-CQSZACIVSA-N 2 0 291.399 -0.117 20 0 CBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032405656 799624066 /nfs/dbraw/zinc/62/40/66/799624066.db2.gz NBUIBUAYEPTVPC-KKUMJFAQSA-N 2 0 293.411 -0.004 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032733934 799662726 /nfs/dbraw/zinc/66/27/26/799662726.db2.gz NMQJBFQZMYJPDW-AVGNSLFASA-N 2 0 279.384 -0.252 20 0 CBADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCCO)C1 ZINC001032958884 799697697 /nfs/dbraw/zinc/69/76/97/799697697.db2.gz BWRBKBOFULOVPP-STQMWFEESA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033657909 799775422 /nfs/dbraw/zinc/77/54/22/799775422.db2.gz OIGOLZCJRSFRQH-QWHCGFSZSA-N 2 0 269.389 -0.004 20 0 CBADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033663170 799777438 /nfs/dbraw/zinc/77/74/38/799777438.db2.gz UNGUNFMIBJSGNH-NWDGAFQWSA-N 2 0 255.362 -0.537 20 0 CBADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CCCO)C1 ZINC001033664274 799778354 /nfs/dbraw/zinc/77/83/54/799778354.db2.gz FAFXFVKJJUXHMD-ZDUSSCGKSA-N 2 0 269.389 -0.003 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034739185 799854179 /nfs/dbraw/zinc/85/41/79/799854179.db2.gz YUMPTMVPAOUUDM-CYDGBPFRSA-N 2 0 296.415 -0.314 20 0 CBADRP NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001034794942 799856653 /nfs/dbraw/zinc/85/66/53/799856653.db2.gz QSSTYUDXZQSKOZ-HAQNSBGRSA-N 2 0 282.388 -0.416 20 0 CBADRP CC(C)N1CCO[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001035325492 799892432 /nfs/dbraw/zinc/89/24/32/799892432.db2.gz BDPGCHRDWHZFBB-CHWSQXEVSA-N 2 0 285.388 -0.458 20 0 CBADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1[NH2+]CC(N)=O ZINC001036054481 799975061 /nfs/dbraw/zinc/97/50/61/799975061.db2.gz KUOUTRNZUHQEPI-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036179616 799982347 /nfs/dbraw/zinc/98/23/47/799982347.db2.gz OBHIXUVTHRLPOP-YPMHNXCESA-N 2 0 296.415 -0.360 20 0 CBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCCO)C1 ZINC001038628111 801229495 /nfs/dbraw/zinc/22/94/95/801229495.db2.gz NDPJRFBTIHLCPY-UONOGXRCSA-N 2 0 299.415 -0.332 20 0 CBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+]2CCCO)C1 ZINC001038628110 801230632 /nfs/dbraw/zinc/23/06/32/801230632.db2.gz NDPJRFBTIHLCPY-KGLIPLIRSA-N 2 0 299.415 -0.332 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2CCCO)C1 ZINC001039028796 801282046 /nfs/dbraw/zinc/28/20/46/801282046.db2.gz QWVKBLXLJKWCNL-VXGBXAGGSA-N 2 0 255.362 -0.489 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CCO)C3)C2)C1 ZINC001041830386 801421648 /nfs/dbraw/zinc/42/16/48/801421648.db2.gz GWWBJALIKLKBKN-UKRRQHHQSA-N 2 0 281.400 -0.145 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001044825596 801671812 /nfs/dbraw/zinc/67/18/12/801671812.db2.gz WBCXSCCUWJWFAN-NWDGAFQWSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001045389079 801694184 /nfs/dbraw/zinc/69/41/84/801694184.db2.gz FUIQDUQQXQEXMW-NWDGAFQWSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001045639645 801707534 /nfs/dbraw/zinc/70/75/34/801707534.db2.gz ONHQRPKDPHFFKR-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001045890874 801715443 /nfs/dbraw/zinc/71/54/43/801715443.db2.gz ULOXINQSZXDOEL-MJBXVCDLSA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](CCO)C2)CC[N@@H+]1C ZINC001046330070 801753863 /nfs/dbraw/zinc/75/38/63/801753863.db2.gz WADRVUKYVXRGSM-BZPMIXESSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](CCO)C[C@@H]2O)CC[N@@H+]1C ZINC001047385236 801858958 /nfs/dbraw/zinc/85/89/58/801858958.db2.gz AZOWWJOEDDMVAL-CRWXNKLISA-N 2 0 299.415 -0.788 20 0 CBADRP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CN(C)C)on2)C1 ZINC001047439839 801872030 /nfs/dbraw/zinc/87/20/30/801872030.db2.gz TYHXAASHPGCQGB-STQMWFEESA-N 2 0 296.371 -0.127 20 0 CBADRP COC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047545334 801896896 /nfs/dbraw/zinc/89/68/96/801896896.db2.gz QOUUMPUBLQNVSJ-WXHSDQCUSA-N 2 0 296.371 -0.509 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1 ZINC001049058399 801995285 /nfs/dbraw/zinc/99/52/85/801995285.db2.gz XVDRYRIJULPRFV-UPJWGTAASA-N 2 0 294.399 -0.654 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1 ZINC001049059960 801995779 /nfs/dbraw/zinc/99/57/79/801995779.db2.gz KJHJDMWNRKINCD-FVCCEPFGSA-N 2 0 294.399 -0.940 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1 ZINC001049060088 801996032 /nfs/dbraw/zinc/99/60/32/801996032.db2.gz MYWTZEUFCJFOTM-YIYPIFLZSA-N 2 0 281.400 -0.433 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCO)C[C@@H]2C1 ZINC001049059956 801996605 /nfs/dbraw/zinc/99/66/05/801996605.db2.gz KJGNYFZFRLCATC-APIJFGDWSA-N 2 0 295.427 -0.043 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CCO)C[C@@H]3C2)C1 ZINC001049214949 802008157 /nfs/dbraw/zinc/00/81/57/802008157.db2.gz CYPFQAAYPWRUIW-UPJWGTAASA-N 2 0 267.373 -0.679 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCO)C1 ZINC001049894681 802042786 /nfs/dbraw/zinc/04/27/86/802042786.db2.gz GTHUSVWLGFQWDV-MJBXVCDLSA-N 2 0 281.400 -0.004 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2C[NH+](CCO)C[C@H]21 ZINC001049995000 802047502 /nfs/dbraw/zinc/04/75/02/802047502.db2.gz DWPSDGUENAQLHF-BFHYXJOUSA-N 2 0 281.400 -0.004 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001050202798 802057445 /nfs/dbraw/zinc/05/74/45/802057445.db2.gz TYJJHJMSDWBAAE-MELADBBJSA-N 2 0 281.400 -0.147 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001050202793 802058385 /nfs/dbraw/zinc/05/83/85/802058385.db2.gz TYJJHJMSDWBAAE-BFHYXJOUSA-N 2 0 281.400 -0.147 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001050462757 802064608 /nfs/dbraw/zinc/06/46/08/802064608.db2.gz ZCFINGOOKLDMSY-LBPRGKRZSA-N 2 0 294.399 -0.510 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](CCO)CC3)C1 ZINC001050753236 802072854 /nfs/dbraw/zinc/07/28/54/802072854.db2.gz FYIANKMWLGPRGU-ZDUSSCGKSA-N 2 0 281.400 -0.145 20 0 CBADRP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001051495119 802148736 /nfs/dbraw/zinc/14/87/36/802148736.db2.gz ZUAYBHOFRQFTLM-NEPJUHHUSA-N 2 0 255.362 -0.083 20 0 CBADRP CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001051495126 802148849 /nfs/dbraw/zinc/14/88/49/802148849.db2.gz ZUAYBHOFRQFTLM-RYUDHWBXSA-N 2 0 255.362 -0.083 20 0 CBADRP CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC001051933416 802172312 /nfs/dbraw/zinc/17/23/12/802172312.db2.gz HMQZNERGRTVPAD-KBPBESRZSA-N 2 0 299.415 -0.208 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC(N)=O)CC1 ZINC001052255212 802188823 /nfs/dbraw/zinc/18/88/23/802188823.db2.gz XNTPUSAEEASOMV-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052932803 802225939 /nfs/dbraw/zinc/22/59/39/802225939.db2.gz SEZZTKACKSFVGF-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001054297512 802332408 /nfs/dbraw/zinc/33/24/08/802332408.db2.gz SCQDXOHSQFZIRF-UPJWGTAASA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CCO ZINC001054734149 802366646 /nfs/dbraw/zinc/36/66/46/802366646.db2.gz ASXOYZMGWGZGOJ-WCQYABFASA-N 2 0 269.389 -0.101 20 0 CBADRP CC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001055577935 802398580 /nfs/dbraw/zinc/39/85/80/802398580.db2.gz FYDFBSUZILAIPU-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001148210302 814934402 /nfs/dbraw/zinc/93/44/02/814934402.db2.gz JUNYYMZFSWTBPA-GFCCVEGCSA-N 2 0 294.399 -0.639 20 0 CBADRP C[C@H](O)C[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148216408 814934696 /nfs/dbraw/zinc/93/46/96/814934696.db2.gz PONVBHMZGVMARD-LBPRGKRZSA-N 2 0 269.389 -0.147 20 0 CBADRP Cc1nccn1CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001118146512 812479131 /nfs/dbraw/zinc/47/91/31/812479131.db2.gz AFXFKIVEUIENAH-CQSZACIVSA-N 2 0 281.404 -0.611 20 0 CBADRP Cn1nccc1CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001118149606 812479151 /nfs/dbraw/zinc/47/91/51/812479151.db2.gz KVKJGCCGVRECPJ-AWEZNQCLSA-N 2 0 281.404 -0.840 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC001118043265 812465681 /nfs/dbraw/zinc/46/56/81/812465681.db2.gz KEVGDWYOZBYMFV-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NCC[C@@H](C)[NH2+]C ZINC001118043709 812465786 /nfs/dbraw/zinc/46/57/86/812465786.db2.gz RGSDXYIVTRFIIR-LLVKDONJSA-N 2 0 272.393 -0.441 20 0 CBADRP CN(C(=O)[C@@H]1C[NH2+]CCO1)c1cc(C[NH3+])ccn1 ZINC001119621482 812836379 /nfs/dbraw/zinc/83/63/79/812836379.db2.gz LOMTYHZQORGISE-JTQLQIEISA-N 2 0 250.302 -0.509 20 0 CBADRP [NH3+]CC(C[NH3+])NCCC(=O)N1CCc2ccccc21 ZINC001119618772 812836549 /nfs/dbraw/zinc/83/65/49/812836549.db2.gz RHPWSNCLARTDFG-UHFFFAOYSA-N 2 0 262.357 -0.159 20 0 CBADRP [NH3+]C[C@@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1C(F)(F)F ZINC001119618770 812837027 /nfs/dbraw/zinc/83/70/27/812837027.db2.gz RGRCZFKPDGKIFH-MBGOZMDMSA-N 2 0 267.295 -0.094 20 0 CBADRP CSC[C@H](O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001119682222 812865268 /nfs/dbraw/zinc/86/52/68/812865268.db2.gz BFGKSMKCUZLNLW-VXGBXAGGSA-N 2 0 259.419 -0.310 20 0 CBADRP Cn1c(CNC(C[NH3+])C[NH3+])nc2ccccc2c1=O ZINC001119682581 812865954 /nfs/dbraw/zinc/86/59/54/812865954.db2.gz NXKABHWFCSVIAG-UHFFFAOYSA-N 2 0 261.329 -0.691 20 0 CBADRP O=C(N1CC[C@@H](N2CC[NH2+]CC2)C1)C12CC(C1)C[NH2+]2 ZINC001121935917 813091382 /nfs/dbraw/zinc/09/13/82/813091382.db2.gz FVDBDDGLKWDBTI-MBHSVXNSSA-N 2 0 264.373 -0.756 20 0 CBADRP COCC[NH2+]CCNC(=O)C1([C@H](C)[NH3+])CCOCC1 ZINC001121930819 813091988 /nfs/dbraw/zinc/09/19/88/813091988.db2.gz UQUDOHNAAIHYSG-NSHDSACASA-N 2 0 273.377 -0.517 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@H]1CCC[NH2+]C1 ZINC001121930810 813092359 /nfs/dbraw/zinc/09/23/59/813092359.db2.gz UMEXOJWWDMDCAC-SRVKXCTJSA-N 2 0 252.362 -0.757 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@H]1CCC[NH2+]C1 ZINC001121930811 813092382 /nfs/dbraw/zinc/09/23/82/813092382.db2.gz UMEXOJWWDMDCAC-WOPDTQHZSA-N 2 0 252.362 -0.757 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001122021758 813105639 /nfs/dbraw/zinc/10/56/39/813105639.db2.gz OAXGUKOAMDSOHT-QJPTWQEYSA-N 2 0 252.362 -0.900 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC001122103585 813117655 /nfs/dbraw/zinc/11/76/55/813117655.db2.gz OUXMSLVLOGKUKT-NEPJUHHUSA-N 2 0 268.405 -0.216 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1=O ZINC001122102277 813117849 /nfs/dbraw/zinc/11/78/49/813117849.db2.gz IMIIDZWZTZRZSZ-GRYCIOLGSA-N 2 0 280.372 -0.854 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001122103236 813117858 /nfs/dbraw/zinc/11/78/58/813117858.db2.gz XCSDUZCEFMIVKD-GBIKHYSHSA-N 2 0 266.345 -0.167 20 0 CBADRP CCC[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC001122106925 813117865 /nfs/dbraw/zinc/11/78/65/813117865.db2.gz WCAHAPUZKLDXOK-UHFFFAOYSA-N 2 0 296.415 -0.170 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]C ZINC001122100788 813118371 /nfs/dbraw/zinc/11/83/71/813118371.db2.gz UNUIOGFPGFAQJW-QKPYMPQASA-N 2 0 255.362 -0.563 20 0 CBADRP CCC(C)(C)[NH+]1CCN(C(=O)CNCC[NH3+])CC1 ZINC001122131690 813121358 /nfs/dbraw/zinc/12/13/58/813121358.db2.gz CEUGKDXQDJGFKP-UHFFFAOYSA-N 2 0 256.394 -0.133 20 0 CBADRP [NH3+]CC1(CCNC(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001122128076 813121714 /nfs/dbraw/zinc/12/17/14/813121714.db2.gz ZYYKXFJCTJCMTL-CYBMUJFWSA-N 2 0 255.362 -0.264 20 0 CBADRP [NH3+][C@@H]1C[C@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)[C@H]2C[C@H]21 ZINC001122175645 813128019 /nfs/dbraw/zinc/12/80/19/813128019.db2.gz YADZCXHZOXURNP-IEECTRCBSA-N 2 0 267.373 -0.457 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001133290955 814237504 /nfs/dbraw/zinc/23/75/04/814237504.db2.gz GCFVETOBYJNGGG-NSHDSACASA-N 2 0 286.420 -0.053 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]CCN1CCCC1=O ZINC001133291053 814237606 /nfs/dbraw/zinc/23/76/06/814237606.db2.gz IZQWTQRCZOWGHY-UHFFFAOYSA-N 2 0 270.377 -0.734 20 0 CBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C)no1 ZINC001133294293 814237835 /nfs/dbraw/zinc/23/78/35/814237835.db2.gz BHQXYRUGFGQBDV-UHFFFAOYSA-N 2 0 297.359 -0.421 20 0 CBADRP CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294274 814238332 /nfs/dbraw/zinc/23/83/32/814238332.db2.gz AMLHNXCIZUKFDD-NEPJUHHUSA-N 2 0 286.420 -0.053 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133290804 814238383 /nfs/dbraw/zinc/23/83/83/814238383.db2.gz CVUWPYOZSNPVPK-UHFFFAOYSA-N 2 0 272.393 -0.584 20 0 CBADRP CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294729 814238484 /nfs/dbraw/zinc/23/84/84/814238484.db2.gz QZHSAGPMFZVRDU-GFCCVEGCSA-N 2 0 286.420 -0.195 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001133345367 814246891 /nfs/dbraw/zinc/24/68/91/814246891.db2.gz BFMAEMXEOUSFCU-OLZOCXBDSA-N 2 0 298.431 -0.114 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415620 814249664 /nfs/dbraw/zinc/24/96/64/814249664.db2.gz HUMBJTFWGUXGMS-CYBMUJFWSA-N 2 0 286.420 -0.197 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)C(=O)NC1CC1 ZINC001133833957 814304317 /nfs/dbraw/zinc/30/43/17/814304317.db2.gz KPEBOFZQZLYEGF-NEPJUHHUSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC1CC1)[NH+](C)C ZINC001133983031 814332656 /nfs/dbraw/zinc/33/26/56/814332656.db2.gz VSKCPNWBEZOMSG-NSHDSACASA-N 2 0 270.377 -0.689 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]Cc1cncn1C)[NH+](C)C ZINC001133982541 814333664 /nfs/dbraw/zinc/33/36/64/814333664.db2.gz FPIWBXITXPDYNC-LBPRGKRZSA-N 2 0 267.377 -0.034 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)C2C[NH+](C)C2)CC1 ZINC001142601118 814724665 /nfs/dbraw/zinc/72/46/65/814724665.db2.gz YSEZOYAPXXGDCU-UHFFFAOYSA-N 2 0 255.362 -0.096 20 0 CBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)CN(C)C(N)=[NH2+])CC1 ZINC001144149132 814773817 /nfs/dbraw/zinc/77/38/17/814773817.db2.gz GHXHPTPWBOCXJB-UHFFFAOYSA-N 2 0 299.375 -0.915 20 0 CBADRP CC(=O)N[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C(C)C ZINC001144368111 814775659 /nfs/dbraw/zinc/77/56/59/814775659.db2.gz DTTWNLOBEOFGSD-SNVBAGLBSA-N 2 0 271.365 -0.392 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148360387 814940344 /nfs/dbraw/zinc/94/03/44/814940344.db2.gz SEUPPCRHJNKNLN-UHFFFAOYSA-N 2 0 272.393 -0.440 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+]([C@@H](C)C(N)=O)C2 ZINC001148548435 814949023 /nfs/dbraw/zinc/94/90/23/814949023.db2.gz SMDGKUTTXWCKGX-LBPRGKRZSA-N 2 0 296.415 -0.264 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001148571092 814951428 /nfs/dbraw/zinc/95/14/28/814951428.db2.gz VWMPRPOIRLDMHG-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP C[NH+](C)CCOCC(=O)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001148611819 814952590 /nfs/dbraw/zinc/95/25/90/814952590.db2.gz OWJQUDTYQVTHAW-UHFFFAOYSA-N 2 0 299.415 -0.519 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001148643426 814953576 /nfs/dbraw/zinc/95/35/76/814953576.db2.gz ZZNBZEHQEVNUGM-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001148643187 814953847 /nfs/dbraw/zinc/95/38/47/814953847.db2.gz UDIFWZBBTLITCB-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001148642032 814954301 /nfs/dbraw/zinc/95/43/01/814954301.db2.gz CDJYYEHLZAWISL-LBPRGKRZSA-N 2 0 294.403 -0.187 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CCn1cccn1 ZINC001148642729 814954370 /nfs/dbraw/zinc/95/43/70/814954370.db2.gz MLGMUURMWYFRNU-UHFFFAOYSA-N 2 0 267.377 -0.069 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001148643416 814954401 /nfs/dbraw/zinc/95/44/01/814954401.db2.gz ZISGQUCQHOCYAO-SNVBAGLBSA-N 2 0 258.366 -0.832 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001148638377 814954482 /nfs/dbraw/zinc/95/44/82/814954482.db2.gz GLIPNSSDLKCCSI-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001148638654 814954610 /nfs/dbraw/zinc/95/46/10/814954610.db2.gz LMZRNNFZIXSLRJ-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1cnnn1CC ZINC001148639008 814955233 /nfs/dbraw/zinc/95/52/33/814955233.db2.gz XIIFHTSZBMFEEE-UHFFFAOYSA-N 2 0 282.392 -0.154 20 0 CBADRP C[C@H](C[NH2+]CCO)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001321542858 803782584 /nfs/dbraw/zinc/78/25/84/803782584.db2.gz AAMSWRMRCKQVNT-NEPJUHHUSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@H](C[NH2+]CCO)NC(=O)[C@H]1COCCN1C1CCCC1 ZINC001321627764 803792469 /nfs/dbraw/zinc/79/24/69/803792469.db2.gz LVKHSXPDYZQSMP-TZMCWYRMSA-N 2 0 299.415 -0.284 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC)[NH+](C)C ZINC001321652719 803796360 /nfs/dbraw/zinc/79/63/60/803796360.db2.gz OXRLRQNHLVTZSA-ZJUUUORDSA-N 2 0 258.366 -0.833 20 0 CBADRP C[C@H](C[NH2+]CCCO)NC(=O)C12CC[NH+](CC1)C2 ZINC001321710244 803804845 /nfs/dbraw/zinc/80/48/45/803804845.db2.gz MTDSFZGEQWALIJ-LLVKDONJSA-N 2 0 255.362 -0.441 20 0 CBADRP C[C@H](C[NH2+]CCCO)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001321710494 803805354 /nfs/dbraw/zinc/80/53/54/803805354.db2.gz OUBCKAIFMJHUIP-VXGBXAGGSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CCN1CCNC1=O)[NH+](C)C ZINC001321710591 803805688 /nfs/dbraw/zinc/80/56/88/803805688.db2.gz QZEQXQOGXNHASD-NEPJUHHUSA-N 2 0 299.419 -0.554 20 0 CBADRP C[C@@H](C[NH2+]CCN1CCCC1=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001322074221 803856490 /nfs/dbraw/zinc/85/64/90/803856490.db2.gz YUJRDAGNUDFMMD-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@H](C(=O)N(C)CCC[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C ZINC001322791657 803939154 /nfs/dbraw/zinc/93/91/54/803939154.db2.gz BPTCEWPKHOGODU-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001160459670 815625318 /nfs/dbraw/zinc/62/53/18/815625318.db2.gz PMJBADWMLVKYQF-CYBMUJFWSA-N 3 0 268.405 -0.229 20 0 CBADRP CC[N@@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001325153782 804249610 /nfs/dbraw/zinc/24/96/10/804249610.db2.gz NEFWUMVWSVYOFL-AWEZNQCLSA-N 2 0 267.373 -0.345 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001325380778 804280878 /nfs/dbraw/zinc/28/08/78/804280878.db2.gz PDYVPASBGOGZIM-QWHCGFSZSA-N 2 0 294.399 -0.449 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001325380777 804280996 /nfs/dbraw/zinc/28/09/96/804280996.db2.gz PDYVPASBGOGZIM-OLZOCXBDSA-N 2 0 294.399 -0.449 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001325734581 804311069 /nfs/dbraw/zinc/31/10/69/804311069.db2.gz ORWPHLUSGCLDMC-AGIUHOORSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)[C@H](C(=O)NC[C@H]1C[N@H+](CCO)CCCO1)C1CC1 ZINC001149842512 815011137 /nfs/dbraw/zinc/01/11/37/815011137.db2.gz VUFQXHWGMDAFGU-KBPBESRZSA-N 2 0 299.415 -0.474 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151048354 815051630 /nfs/dbraw/zinc/05/16/30/815051630.db2.gz AGQFYFPZKLIPHJ-NSHDSACASA-N 2 0 270.377 -0.830 20 0 CBADRP CCCC[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001151065840 815056980 /nfs/dbraw/zinc/05/69/80/815056980.db2.gz NLNFATAENZXDNJ-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP Cn1nccc1CC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151058403 815054382 /nfs/dbraw/zinc/05/43/82/815054382.db2.gz YWNUSKOXHYXWKD-LBPRGKRZSA-N 2 0 279.388 -0.380 20 0 CBADRP CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001070327896 805179208 /nfs/dbraw/zinc/17/92/08/805179208.db2.gz HKFQBPSEFXHIPP-OLZOCXBDSA-N 2 0 292.387 -0.265 20 0 CBADRP Cn1cncc1C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049443 815054882 /nfs/dbraw/zinc/05/48/82/815054882.db2.gz OZFIBAPQYUDEID-LLVKDONJSA-N 2 0 265.361 -0.422 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC2CCCC2)C1 ZINC001151049592 815055145 /nfs/dbraw/zinc/05/51/45/815055145.db2.gz SVZCOBLNMBABTO-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151058409 815055357 /nfs/dbraw/zinc/05/53/57/815055357.db2.gz ZASHBLGOKBMMEM-GFCCVEGCSA-N 2 0 273.377 -0.693 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001151066777 815056496 /nfs/dbraw/zinc/05/64/96/815056496.db2.gz YPRWQHWEYMQNCY-MNOVXSKESA-N 2 0 270.377 -0.879 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCCO[C@H]2CCOC2)C1 ZINC001151065689 815057156 /nfs/dbraw/zinc/05/71/56/815057156.db2.gz MVAWXHSTFAZTFI-KGLIPLIRSA-N 2 0 299.415 -0.161 20 0 CBADRP CC(C)N1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001151066979 815057185 /nfs/dbraw/zinc/05/71/85/815057185.db2.gz ZSBNTDRVTZLSGF-CHWSQXEVSA-N 2 0 296.415 -0.347 20 0 CBADRP CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001151066101 815057263 /nfs/dbraw/zinc/05/72/63/815057263.db2.gz QAZFTVQLYHTTQH-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP Cc1ncc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001151065176 815058010 /nfs/dbraw/zinc/05/80/10/815058010.db2.gz HXHVDMAIAUYSAV-ZDUSSCGKSA-N 2 0 277.372 -0.057 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001151073461 815058930 /nfs/dbraw/zinc/05/89/30/815058930.db2.gz LPLDORUUFRXPHB-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151073937 815059010 /nfs/dbraw/zinc/05/90/10/815059010.db2.gz SSPBUMNAFYIFML-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC[NH2+][C@@H]1CCCNC1=O ZINC001151098079 815060482 /nfs/dbraw/zinc/06/04/82/815060482.db2.gz UHACUYHZEIGPPU-LLVKDONJSA-N 2 0 268.361 -0.933 20 0 CBADRP Cn1nccc1C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151098174 815060572 /nfs/dbraw/zinc/06/05/72/815060572.db2.gz WYUNJWVUFNSLIL-UHFFFAOYSA-N 2 0 265.361 -0.278 20 0 CBADRP O=C(C[NH2+]CCNC(=O)C[NH+]1CCCC1)NC1CCCC1 ZINC001151097694 815060651 /nfs/dbraw/zinc/06/06/51/815060651.db2.gz PNCXJYMIDCBCHW-UHFFFAOYSA-N 2 0 296.415 -0.153 20 0 CBADRP CS(=O)(=O)CCC[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151101602 815061495 /nfs/dbraw/zinc/06/14/95/815061495.db2.gz UXFVZGIJWUTMCX-UHFFFAOYSA-N 2 0 291.417 -0.777 20 0 CBADRP CCCC[C@@H]([NH2+]CCNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001151100806 815061559 /nfs/dbraw/zinc/06/15/59/815061559.db2.gz IJNNUEJWQPFGCD-GFCCVEGCSA-N 2 0 284.404 -0.168 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001151101166 815062317 /nfs/dbraw/zinc/06/23/17/815062317.db2.gz OWLORKVDHUECFB-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C[NH+]1CCCC1)C(=O)NC1CC1 ZINC001151107012 815062353 /nfs/dbraw/zinc/06/23/53/815062353.db2.gz NFULVIXGKHJKKQ-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP CC(C)(C)NC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151114278 815062734 /nfs/dbraw/zinc/06/27/34/815062734.db2.gz IECMSZXFFDOZOP-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001072542237 805307814 /nfs/dbraw/zinc/30/78/14/805307814.db2.gz NMAMHJCWEGZKEP-GFCCVEGCSA-N 2 0 267.373 -0.393 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCCO ZINC001151160762 815065323 /nfs/dbraw/zinc/06/53/23/815065323.db2.gz YQSWQRZRCCGXKX-GFCCVEGCSA-N 2 0 273.377 -0.957 20 0 CBADRP CO[C@H](C)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151157304 815065375 /nfs/dbraw/zinc/06/53/75/815065375.db2.gz KBRWNNWAZGKVOX-CHWSQXEVSA-N 2 0 287.404 -0.305 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]C[C@@H]1CCOC1 ZINC001151158640 815065626 /nfs/dbraw/zinc/06/56/26/815065626.db2.gz QLWUJOCJMNZWGZ-KGLIPLIRSA-N 2 0 299.415 -0.303 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001072677024 805325632 /nfs/dbraw/zinc/32/56/32/805325632.db2.gz KFCJDTXSWOOBDY-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP C[NH+](C)[C@H](C(=O)N1CC2(C1)CC[N@H+](CCO)C2)C1CC1 ZINC001072814395 805337367 /nfs/dbraw/zinc/33/73/67/805337367.db2.gz CHVOBAAYFDWTRX-ZDUSSCGKSA-N 2 0 281.400 -0.147 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001072981957 805352522 /nfs/dbraw/zinc/35/25/22/805352522.db2.gz WURLXZSZJVERCV-CHWSQXEVSA-N 2 0 281.400 -0.289 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](CCCO)CCCO2)C1 ZINC001073891326 805422426 /nfs/dbraw/zinc/42/24/26/805422426.db2.gz OJUIZOYRTAVJQT-UONOGXRCSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCO)[C@@H]2C)CC[N@@H+]1C ZINC001074661718 805464713 /nfs/dbraw/zinc/46/47/13/805464713.db2.gz HVJIRDRQNNCUDU-XQHKEYJVSA-N 2 0 269.389 -0.102 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C)C(N)=O ZINC001074687094 805466007 /nfs/dbraw/zinc/46/60/07/805466007.db2.gz VYSIFSPHSOAMMN-MDZLAQPJSA-N 2 0 296.415 -0.077 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)[C@@H]1C)[NH+](C)C ZINC001074885606 805476291 /nfs/dbraw/zinc/47/62/91/805476291.db2.gz NTRRVHAYRXLFEL-RHYQMDGZSA-N 2 0 284.404 -0.221 20 0 CBADRP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]32)CC1 ZINC001076203843 805561243 /nfs/dbraw/zinc/56/12/43/805561243.db2.gz GARQOFDKBGFDMY-UONOGXRCSA-N 2 0 281.400 -0.147 20 0 CBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]CCCO ZINC001152145348 815106425 /nfs/dbraw/zinc/10/64/25/815106425.db2.gz BAXAVYDTWCVRQN-RYUDHWBXSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]CC(=O)N(C)C ZINC001152148416 815107911 /nfs/dbraw/zinc/10/79/11/815107911.db2.gz PPWKIYBUNVAWGJ-TXEJJXNPSA-N 2 0 284.404 -0.347 20 0 CBADRP O=C(CCC[NH+]1CCCC1)NCC[NH2+]CCOCCO ZINC001152223593 815111348 /nfs/dbraw/zinc/11/13/48/815111348.db2.gz NHYASEVQPMDZMM-UHFFFAOYSA-N 2 0 287.404 -0.423 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340924 815117066 /nfs/dbraw/zinc/11/70/66/815117066.db2.gz ZVPVUFDZDGVMLJ-CYBMUJFWSA-N 2 0 287.404 -0.425 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340036 815117192 /nfs/dbraw/zinc/11/71/92/815117192.db2.gz FELKQOVKKVHJIG-UHFFFAOYSA-N 2 0 270.377 -0.686 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001152426702 815121212 /nfs/dbraw/zinc/12/12/12/815121212.db2.gz LNUHJNHPQIQYJX-GFCCVEGCSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001152427376 815121242 /nfs/dbraw/zinc/12/12/42/815121242.db2.gz YDWRTMCTIYYKLU-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001152426704 815121498 /nfs/dbraw/zinc/12/14/98/815121498.db2.gz LNUHJNHPQIQYJX-LBPRGKRZSA-N 2 0 284.404 -0.347 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)C[N@H+](C)C(C)C)C1=O ZINC001152432545 815121963 /nfs/dbraw/zinc/12/19/63/815121963.db2.gz KKMFZCYQWUZDNN-LBPRGKRZSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001152445625 815123274 /nfs/dbraw/zinc/12/32/74/815123274.db2.gz KQXOSCZOLNQXGR-LLVKDONJSA-N 2 0 284.404 -0.301 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001152459117 815124189 /nfs/dbraw/zinc/12/41/89/815124189.db2.gz ZDADISFPNKRLRH-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C)[NH+]1CCCC1 ZINC001152473134 815124279 /nfs/dbraw/zinc/12/42/79/815124279.db2.gz WBSNGZUSCNZTMR-CQSZACIVSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)[NH+]1CCCC1 ZINC001152470705 815124600 /nfs/dbraw/zinc/12/46/00/815124600.db2.gz FOOCPSNRPPSBDD-RYUDHWBXSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@@]2(N)CC[NH2+]C2)CC1 ZINC001160537151 815634190 /nfs/dbraw/zinc/63/41/90/815634190.db2.gz GREHFUOJFXDNBE-CYBMUJFWSA-N 2 0 254.378 -0.380 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1c[nH]c2ncncc12 ZINC001152908460 815141544 /nfs/dbraw/zinc/14/15/44/815141544.db2.gz BTTOQYISFKIHMJ-UHFFFAOYSA-N 2 0 275.316 -0.016 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)CCCC[NH+]1CCCC1)C(N)=O ZINC001153299910 815157290 /nfs/dbraw/zinc/15/72/90/815157290.db2.gz FNYSPJNOUUQBAE-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP CC[C@@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO)[NH+](C)C ZINC001153780153 815176492 /nfs/dbraw/zinc/17/64/92/815176492.db2.gz CBHYZYWBZXDDGD-XQQFMLRXSA-N 2 0 269.389 -0.006 20 0 CBADRP COC(=O)[C@@H](Nc1ncc2c(n1)CC[NH2+]C2)C(C)(C)[NH3+] ZINC001155369670 815279872 /nfs/dbraw/zinc/27/98/72/815279872.db2.gz ZKSZVQTXGUGUBJ-SNVBAGLBSA-N 2 0 279.344 -0.187 20 0 CBADRP c1cc(N2CC[NH2+]CC2)nnc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001155502986 815288173 /nfs/dbraw/zinc/28/81/73/815288173.db2.gz RAJWSIGDTYADLD-IJLUTSLNSA-N 2 0 290.371 -0.715 20 0 CBADRP c1nc2c(c(N[C@@H]3C[NH2+][C@@H]4COC[C@H]34)n1)CC[NH2+]CC2 ZINC001155502775 815288330 /nfs/dbraw/zinc/28/83/30/815288330.db2.gz MIUBKENUBFWFGB-RAIGVLPGSA-N 2 0 275.356 -0.437 20 0 CBADRP c1cc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)ncc1N1CC[NH2+]CC1 ZINC001155504563 815289138 /nfs/dbraw/zinc/28/91/38/815289138.db2.gz AQMNHGIKCBIBMO-MGPQQGTHSA-N 2 0 289.383 -0.110 20 0 CBADRP c1nc(NC[C@]23C[NH2+]C[C@H]2COC3)nc2c1C[NH2+]C2 ZINC001155516524 815290380 /nfs/dbraw/zinc/29/03/80/815290380.db2.gz AIBDVRXHSIJUTI-GWCFXTLKSA-N 2 0 261.329 -0.272 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ncnc3c2CC[NH2+]CC3)N1 ZINC001155568655 815292220 /nfs/dbraw/zinc/29/22/20/815292220.db2.gz BDDFOBDBBAJCSW-RISCZKNCSA-N 2 0 288.355 -0.845 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cc(C3C[NH2+]C3)ncn2)N1 ZINC001155578769 815297908 /nfs/dbraw/zinc/29/79/08/815297908.db2.gz BDDWZMOZDPARPZ-GXFFZTMASA-N 2 0 274.328 -0.847 20 0 CBADRP c1nc2c(c(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)n1)CC[NH2+]CC2 ZINC001155635253 815300910 /nfs/dbraw/zinc/30/09/10/815300910.db2.gz HOPSUJLPEGFPIO-AGIUHOORSA-N 2 0 275.356 -0.294 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCC[C@H](CCO)C1)C1CC[NH2+]CC1 ZINC001160612480 815645639 /nfs/dbraw/zinc/64/56/39/815645639.db2.gz ZRDOMRMCXSBLBM-DGCLKSJQSA-N 2 0 269.389 -0.066 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCN(CCF)CC1 ZINC001160629282 815645646 /nfs/dbraw/zinc/64/56/46/815645646.db2.gz MXEMDEYCNDOALL-LBPRGKRZSA-N 2 0 274.384 -0.054 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@]1(N)CC[NH2+]C1 ZINC001160626845 815645677 /nfs/dbraw/zinc/64/56/77/815645677.db2.gz BPQMCXJCNOXULO-HNNXBMFYSA-N 3 0 299.463 -0.591 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155790656 815312144 /nfs/dbraw/zinc/31/21/44/815312144.db2.gz LLPALFHWSAMVJE-RYUDHWBXSA-N 2 0 273.377 -0.816 20 0 CBADRP Cn1nncc1C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155790708 815312161 /nfs/dbraw/zinc/31/21/61/815312161.db2.gz MOZMAXSKYZQEJN-GFCCVEGCSA-N 2 0 280.376 -0.495 20 0 CBADRP CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155791886 815313594 /nfs/dbraw/zinc/31/35/94/815313594.db2.gz ZRCCBRDYAWSXHG-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155791553 815313655 /nfs/dbraw/zinc/31/36/55/815313655.db2.gz WNOPZONICGXSOF-LBPRGKRZSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001155810515 815314164 /nfs/dbraw/zinc/31/41/64/815314164.db2.gz CIXSTIGIYLEPJI-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001155813580 815315405 /nfs/dbraw/zinc/31/54/05/815315405.db2.gz SKDURGPDSYNYRR-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cnn2c1OCC2 ZINC001156188183 815343416 /nfs/dbraw/zinc/34/34/16/815343416.db2.gz PYNSWQJTUJGQJP-UHFFFAOYSA-N 2 0 266.305 -0.650 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001086198751 810248823 /nfs/dbraw/zinc/24/88/23/810248823.db2.gz DUZDDLLIMKLGNY-RVMXOQNASA-N 2 0 269.389 -0.339 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001086253996 810252190 /nfs/dbraw/zinc/25/21/90/810252190.db2.gz DTJIGWXTEKIVHE-UTUOFQBUSA-N 2 0 294.399 -0.560 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086278507 810255240 /nfs/dbraw/zinc/25/52/40/810255240.db2.gz ZDHLEDKXORRMJG-FRRDWIJNSA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001086327737 810260724 /nfs/dbraw/zinc/26/07/24/810260724.db2.gz OSUSFVLHSVLQRC-FDYHWXHSSA-N 2 0 294.399 -0.547 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001086327894 810261129 /nfs/dbraw/zinc/26/11/29/810261129.db2.gz TTYQTFBAADPRSV-FDYHWXHSSA-N 2 0 296.415 -0.171 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001086327736 810261716 /nfs/dbraw/zinc/26/17/16/810261716.db2.gz OSUSFVLHSVLQRC-CYDGBPFRSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086478502 810273721 /nfs/dbraw/zinc/27/37/21/810273721.db2.gz QYMJANLNGVYRSQ-DDHJBXDOSA-N 2 0 282.388 -0.846 20 0 CBADRP CC[N@H+](CCO)[C@H](C)CNC(=O)Cc1cncn1C ZINC001156384194 815356964 /nfs/dbraw/zinc/35/69/64/815356964.db2.gz ZYGKPCAGOPIEHV-LLVKDONJSA-N 2 0 268.361 -0.219 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086533943 810277524 /nfs/dbraw/zinc/27/75/24/810277524.db2.gz ISENKPQCXAJISL-XYPYZODXSA-N 2 0 280.372 -0.948 20 0 CBADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCO ZINC001087828883 810307084 /nfs/dbraw/zinc/30/70/84/810307084.db2.gz YFHCQMADODBGEH-RWMBFGLXSA-N 2 0 269.389 -0.101 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001088200073 810323400 /nfs/dbraw/zinc/32/34/00/810323400.db2.gz ONLZZOCTQXNVMP-UPJWGTAASA-N 2 0 294.399 -0.796 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001088200072 810323730 /nfs/dbraw/zinc/32/37/30/810323730.db2.gz ONLZZOCTQXNVMP-AGIUHOORSA-N 2 0 294.399 -0.796 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001088425151 810330165 /nfs/dbraw/zinc/33/01/65/810330165.db2.gz OKUSMLMSCHASBC-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP COC(=O)C1(Nc2ncc3c(n2)C[NH2+]C3)CC[NH2+]CC1 ZINC001156535412 815365050 /nfs/dbraw/zinc/36/50/50/815365050.db2.gz DVPUSYARZUNDCU-UHFFFAOYSA-N 2 0 277.328 -0.213 20 0 CBADRP CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090536206 810516939 /nfs/dbraw/zinc/51/69/39/810516939.db2.gz BXXKSCOECGDUOO-QWHCGFSZSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090536205 810517573 /nfs/dbraw/zinc/51/75/73/810517573.db2.gz BXXKSCOECGDUOO-OLZOCXBDSA-N 2 0 269.389 -0.101 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730390 810560259 /nfs/dbraw/zinc/56/02/59/810560259.db2.gz KZNOTAKISODJGK-OLZOCXBDSA-N 2 0 297.399 -0.720 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730392 810560344 /nfs/dbraw/zinc/56/03/44/810560344.db2.gz KZNOTAKISODJGK-STQMWFEESA-N 2 0 297.399 -0.720 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001091378919 810604430 /nfs/dbraw/zinc/60/44/30/810604430.db2.gz ZDHLEDKXORRMJG-WXRRBKDZSA-N 2 0 296.415 -0.170 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1-c1ncnc2c1CC[NH2+]CC2 ZINC001156825591 815383955 /nfs/dbraw/zinc/38/39/55/815383955.db2.gz RUHXGJSPXZPQML-UHFFFAOYSA-N 2 0 285.355 -0.403 20 0 CBADRP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](CCO)C2 ZINC001092275247 810626695 /nfs/dbraw/zinc/62/66/95/810626695.db2.gz VNEGCXRYFSXFFV-HIFRSBDPSA-N 2 0 281.400 -0.145 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CCO)C[C@@]3(C)C2)C1 ZINC001092272311 810627288 /nfs/dbraw/zinc/62/72/88/810627288.db2.gz DIZPFXPMUUWQJV-NFAWXSAZSA-N 2 0 281.400 -0.289 20 0 CBADRP CC[N@H+](CCO)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156901020 815389005 /nfs/dbraw/zinc/38/90/05/815389005.db2.gz HTEFDDZDTMLYIC-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160643173 815650005 /nfs/dbraw/zinc/65/00/05/815650005.db2.gz BCXCUQDVDSENFC-STQMWFEESA-N 3 0 286.420 -0.332 20 0 CBADRP [NH3+]CCc1nnn(-c2ccc(OC3CC[NH2+]CC3)nn2)n1 ZINC001156989401 815395514 /nfs/dbraw/zinc/39/55/14/815395514.db2.gz WTLNKOVAONNSBX-UHFFFAOYSA-N 2 0 290.331 -0.916 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001157006828 815399028 /nfs/dbraw/zinc/39/90/28/815399028.db2.gz QAHDHFHTAKWIMK-LLVKDONJSA-N 2 0 255.362 -0.084 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC([NH+](CCO)CCO)CC1 ZINC001098467656 810846089 /nfs/dbraw/zinc/84/60/89/810846089.db2.gz NVOZCCVVBPMVTH-UHFFFAOYSA-N 2 0 287.404 -0.784 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC([NH+](CCO)CCO)CC1 ZINC001098561434 810852116 /nfs/dbraw/zinc/85/21/16/810852116.db2.gz CJNQMHQXPDDKMY-UHFFFAOYSA-N 2 0 299.415 -0.640 20 0 CBADRP [NH3+][C@@H](C(=O)NCc1cc2n(n1)CCCO2)C1CC[NH2+]CC1 ZINC001157081844 815403709 /nfs/dbraw/zinc/40/37/09/815403709.db2.gz CMJNSXGZYWVOIK-CYBMUJFWSA-N 2 0 293.371 -0.391 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1cc2n(n1)CCCO2 ZINC001157082045 815404021 /nfs/dbraw/zinc/40/40/21/815404021.db2.gz GKIRTZAPUBLBPB-LBPRGKRZSA-N 2 0 295.387 -0.001 20 0 CBADRP COC(=O)c1ccnc(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001157094850 815404247 /nfs/dbraw/zinc/40/42/47/815404247.db2.gz XKXRXBLFAUAFPH-UHFFFAOYSA-N 2 0 266.305 -0.062 20 0 CBADRP CCOC(=O)c1nccc(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001157099617 815404790 /nfs/dbraw/zinc/40/47/90/815404790.db2.gz RBUCWDNZISUGSV-UHFFFAOYSA-N 2 0 280.332 -0.250 20 0 CBADRP NC(=O)c1cccc(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001157097431 815405351 /nfs/dbraw/zinc/40/53/51/815405351.db2.gz WWXPZVPVGHNXDP-UHFFFAOYSA-N 2 0 250.306 -0.144 20 0 CBADRP COC(=O)c1cc(NC(=[NH2+])NCCCC[NH3+])ncn1 ZINC001157097200 815405393 /nfs/dbraw/zinc/40/53/93/815405393.db2.gz UAFIVSZDBXDONW-UHFFFAOYSA-N 2 0 266.305 -0.062 20 0 CBADRP COC(=O)[C@@H](CCC[NH3+])Nc1ncc2c(n1)C[NH2+]C2 ZINC001157116683 815406425 /nfs/dbraw/zinc/40/64/25/815406425.db2.gz UUUCIDHNTYLVEJ-SECBINFHSA-N 2 0 265.317 -0.228 20 0 CBADRP N=C(Nc1ccc(N2CC[NH2+]CC2)nn1)SCC[NH3+] ZINC001157128347 815407472 /nfs/dbraw/zinc/40/74/72/815407472.db2.gz IKZPKAGUSULODE-UHFFFAOYSA-N 2 0 281.389 -0.075 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](CCO)C[C@H]2O)CCC1 ZINC001099873885 810958878 /nfs/dbraw/zinc/95/88/78/810958878.db2.gz BNYAGBKCGITCTL-NWDGAFQWSA-N 2 0 285.388 -0.986 20 0 CBADRP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CCO)C[C@H]1O)C1CCC1 ZINC001099879316 810960408 /nfs/dbraw/zinc/96/04/08/810960408.db2.gz IRKWAHARZVCYKA-CHWSQXEVSA-N 2 0 285.388 -0.986 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@@H]2O)CC1 ZINC001099971412 810979950 /nfs/dbraw/zinc/97/99/50/810979950.db2.gz HJXKKYGRLFSAHD-OLZOCXBDSA-N 2 0 299.415 -0.738 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001099986546 810985538 /nfs/dbraw/zinc/98/55/38/810985538.db2.gz MIASNROBTANLOA-RYUDHWBXSA-N 2 0 275.368 -0.151 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986399 810985638 /nfs/dbraw/zinc/98/56/38/810985638.db2.gz KFSMIAXDZWUFQU-VXGBXAGGSA-N 2 0 273.377 -0.864 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099988092 810985669 /nfs/dbraw/zinc/98/56/69/810985669.db2.gz CATISHKSJKPTTB-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001099986967 810985704 /nfs/dbraw/zinc/98/57/04/810985704.db2.gz RTDYQOSLTTWFOM-STQMWFEESA-N 2 0 269.389 -0.101 20 0 CBADRP COCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986904 810986177 /nfs/dbraw/zinc/98/61/77/810986177.db2.gz REDPXZNCAPGSHP-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100050096 811006415 /nfs/dbraw/zinc/00/64/15/811006415.db2.gz BXHCDUGSJCXVQN-KGLIPLIRSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCOC)C[C@@H]1O ZINC001100064172 811009732 /nfs/dbraw/zinc/00/97/32/811009732.db2.gz JHFNJXVKUQLXSW-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCOC)C[C@@H]1O ZINC001100081334 811018721 /nfs/dbraw/zinc/01/87/21/811018721.db2.gz QLGPNZQEPYVRDQ-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP COCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100109922 811022125 /nfs/dbraw/zinc/02/21/25/811022125.db2.gz MSEGGPRHCKCMJK-UONOGXRCSA-N 2 0 299.415 -0.330 20 0 CBADRP CCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100109186 811022966 /nfs/dbraw/zinc/02/29/66/811022966.db2.gz AOZKJCVHVKKDBL-UONOGXRCSA-N 2 0 299.415 -0.330 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCCO)C[C@H]1O ZINC001100131257 811025614 /nfs/dbraw/zinc/02/56/14/811025614.db2.gz AIFFOUGBJLFVPU-QWHCGFSZSA-N 2 0 287.404 -0.740 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132582 811029436 /nfs/dbraw/zinc/02/94/36/811029436.db2.gz WDFPIKNSMKBEQF-STQMWFEESA-N 2 0 287.404 -0.476 20 0 CBADRP CC(C)[C@@H](C(=O)NCC1CC([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001100426407 811055941 /nfs/dbraw/zinc/05/59/41/811055941.db2.gz GUDVRXXSSAXYPF-XIVSLSHWSA-N 2 0 284.404 -0.458 20 0 CBADRP C[NH+](C)C1(C(=O)NCC2CC([NH2+]CCO)C2)CCC1 ZINC001100404751 811056689 /nfs/dbraw/zinc/05/66/89/811056689.db2.gz SENXATVBTUIFBU-UHFFFAOYSA-N 2 0 269.389 -0.053 20 0 CBADRP CC(C)(C(=O)NCC1CC([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001100562322 811063068 /nfs/dbraw/zinc/06/30/68/811063068.db2.gz JCYSCELXQYCNKY-UHFFFAOYSA-N 2 0 296.415 -0.170 20 0 CBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100636902 811070515 /nfs/dbraw/zinc/07/05/15/811070515.db2.gz QPJQKAWVKOTESW-UHFFFAOYSA-N 2 0 270.377 -0.832 20 0 CBADRP CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001100683808 811073297 /nfs/dbraw/zinc/07/32/97/811073297.db2.gz SRNWWFQWDRVPFT-BPCQOVAHSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100769412 811079183 /nfs/dbraw/zinc/07/91/83/811079183.db2.gz IVCKCDINGNBSON-UHFFFAOYSA-N 2 0 270.377 -0.702 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+][C@@H](C)C(N)=O)C1 ZINC001100827785 811081471 /nfs/dbraw/zinc/08/14/71/811081471.db2.gz UBMCPFZKJSEVPQ-UNXYVOJBSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](O)C[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100870612 811082857 /nfs/dbraw/zinc/08/28/57/811082857.db2.gz KFBRNWDQMCLSRR-PNESKVBLSA-N 2 0 287.404 -0.570 20 0 CBADRP C[NH+](C)CCOCC(=O)NCC1CC([NH2+]CCCO)C1 ZINC001100870542 811083596 /nfs/dbraw/zinc/08/35/96/811083596.db2.gz JFILEODEYWCAGW-UHFFFAOYSA-N 2 0 287.404 -0.569 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+][C@@H](C)C(=O)NC)C1 ZINC001100904746 811084944 /nfs/dbraw/zinc/08/49/44/811084944.db2.gz FDIIRQDUWSZPSR-HIFPTAJRSA-N 2 0 298.431 -0.053 20 0 CBADRP COC[C@H](O)C[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100986288 811090139 /nfs/dbraw/zinc/09/01/39/811090139.db2.gz PVLJKOZFRGGQKT-JXQTWKCFSA-N 2 0 299.415 -0.426 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001101035942 811091061 /nfs/dbraw/zinc/09/10/61/811091061.db2.gz FRUKKKRCINVGMT-PNESKVBLSA-N 2 0 298.431 -0.055 20 0 CBADRP NC(=O)C[NH2+]C1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001101033190 811091706 /nfs/dbraw/zinc/09/17/06/811091706.db2.gz GSJJJGNSQWPKDR-UHFFFAOYSA-N 2 0 296.415 -0.168 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)CC1CC[NH2+]CC1 ZINC001157323538 815423277 /nfs/dbraw/zinc/42/32/77/815423277.db2.gz UCOJPEKQGGMJKY-LBPRGKRZSA-N 2 0 284.404 -0.264 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC001157323380 815423352 /nfs/dbraw/zinc/42/33/52/815423352.db2.gz OZMKNYWNIOHBAD-SDDRHHMPSA-N 2 0 284.404 -0.266 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@H](F)C1 ZINC001157322962 815423550 /nfs/dbraw/zinc/42/35/50/815423550.db2.gz GMURXKPFPUVNFS-AXFHLTTASA-N 2 0 288.367 -0.706 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001157323086 815423609 /nfs/dbraw/zinc/42/36/09/815423609.db2.gz LUQWPNZMRGTLSY-YFKTTZPYSA-N 2 0 282.388 -0.513 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC001157324337 815424218 /nfs/dbraw/zinc/42/42/18/815424218.db2.gz WHXCKVGYUYNFPJ-MJVIPROJSA-N 2 0 282.388 -0.654 20 0 CBADRP CC[C@H](C)[C@@H]([NH2+]C)C(=O)N[C@@H](CCCC[NH3+])C(=O)NC ZINC001157335778 815424398 /nfs/dbraw/zinc/42/43/98/815424398.db2.gz JPTGQCRNYXOBBE-SDDRHHMPSA-N 2 0 286.420 -0.020 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@H]1C ZINC001102525038 811157349 /nfs/dbraw/zinc/15/73/49/811157349.db2.gz IZIUEHQXSJZBEP-JHJVBQTASA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102521096 811159280 /nfs/dbraw/zinc/15/92/80/811159280.db2.gz QAZHMWKALXKSRX-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC001157344720 815426081 /nfs/dbraw/zinc/42/60/81/815426081.db2.gz URCKRPXTVHBCLG-QWRGUYRKSA-N 2 0 284.404 -0.408 20 0 CBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378614 811180281 /nfs/dbraw/zinc/18/02/81/811180281.db2.gz AQUBCMCQUWGMMF-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398340 811183127 /nfs/dbraw/zinc/18/31/27/811183127.db2.gz OPTDUWYNOSNNFM-JHJVBQTASA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]CC(N)=O ZINC001104621537 811207225 /nfs/dbraw/zinc/20/72/25/811207225.db2.gz GODBKUZATWMXOB-VXGBXAGGSA-N 2 0 284.404 -0.502 20 0 CBADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001104621428 811207324 /nfs/dbraw/zinc/20/73/24/811207324.db2.gz DMQRIQRFHJWISB-FRRDWIJNSA-N 2 0 298.431 -0.114 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105942123 811280045 /nfs/dbraw/zinc/28/00/45/811280045.db2.gz ZNEGPWWCAQMRPR-JHJVBQTASA-N 2 0 296.415 -0.489 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN(C)C(=O)C1 ZINC001157485681 815438115 /nfs/dbraw/zinc/43/81/15/815438115.db2.gz NOYCXGKUAYANHV-JTQLQIEISA-N 2 0 256.350 -0.996 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1 ZINC001106839350 811317699 /nfs/dbraw/zinc/31/76/99/811317699.db2.gz CWZGXHYVXUOGGB-CHWSQXEVSA-N 2 0 298.431 -0.242 20 0 CBADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001106898668 811318371 /nfs/dbraw/zinc/31/83/71/811318371.db2.gz MLUNMZGXRNRBNX-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCn2cnnc2C1 ZINC001157507250 815440098 /nfs/dbraw/zinc/44/00/98/815440098.db2.gz GWXAWJVJYSJDAU-NSHDSACASA-N 2 0 280.376 -0.321 20 0 CBADRP COC(=O)N1CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001157508289 815440133 /nfs/dbraw/zinc/44/01/33/815440133.db2.gz RTWMYZLJHTZIJC-LLVKDONJSA-N 2 0 284.360 -0.776 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC(N2CC(F)C2)C1 ZINC001157525802 815441397 /nfs/dbraw/zinc/44/13/97/815441397.db2.gz DKDWEPFFAZHVSE-NSHDSACASA-N 2 0 272.368 -0.303 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CCOCC3)C[C@H]1F ZINC001157536782 815442648 /nfs/dbraw/zinc/44/26/48/815442648.db2.gz QYCGZLGTHDZRMJ-AXFHLTTASA-N 2 0 271.336 -0.490 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157538373 815443405 /nfs/dbraw/zinc/44/34/05/815443405.db2.gz KMLJTBSKUCWWLE-RFGFWPKPSA-N 2 0 295.358 -0.185 20 0 CBADRP [NH3+][C@H]1CN(C(=O)C2CCN([C@H]3CC[NH2+]C3)CC2)C[C@H]1F ZINC001157537628 815443544 /nfs/dbraw/zinc/44/35/44/815443544.db2.gz CKSMXVLZJLEWOQ-XQQFMLRXSA-N 2 0 284.379 -0.432 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157544412 815443715 /nfs/dbraw/zinc/44/37/15/815443715.db2.gz CJALMPSCQRFIJE-WOPDTQHZSA-N 3 0 274.384 -0.010 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)C1 ZINC001157633180 815449494 /nfs/dbraw/zinc/44/94/94/815449494.db2.gz KINUHEYZEPLRCI-RYUDHWBXSA-N 2 0 266.389 -0.380 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[C@H]1F ZINC001157537069 815443904 /nfs/dbraw/zinc/44/39/04/815443904.db2.gz UTYHXIAZJHXLNH-VWYCJHECSA-N 3 0 270.352 -0.632 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@H]2CC[C@@]3(C2)C[NH2+]CCO3)C[C@H]1F ZINC001157537046 815443925 /nfs/dbraw/zinc/44/39/25/815443925.db2.gz TXXUNPPBVNHDQO-SRRSOLGSSA-N 2 0 271.336 -0.347 20 0 CBADRP N[C@H](C[NH3+])c1ccc(C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)cc1 ZINC001157556238 815445072 /nfs/dbraw/zinc/44/50/72/815445072.db2.gz XOBCXMODNOMTEI-UTUOFQBUSA-N 2 0 266.320 -0.234 20 0 CBADRP N[C@@H](C[NH3+])C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001157580273 815446322 /nfs/dbraw/zinc/44/63/22/815446322.db2.gz YJZVYCIRWXSACQ-ZDUSSCGKSA-N 2 0 268.405 -0.003 20 0 CBADRP CC(C)[NH+]1CCN(CC(=O)N2CC(C)([NH3+])C2)CC1 ZINC001157632790 815449596 /nfs/dbraw/zinc/44/95/96/815449596.db2.gz ITHVMTQNGKEDCH-UHFFFAOYSA-N 2 0 254.378 -0.428 20 0 CBADRP CC1([NH3+])CN(C(=O)c2cnc(N3CC[NH2+]CC3)cn2)C1 ZINC001157656637 815450312 /nfs/dbraw/zinc/45/03/12/815450312.db2.gz RVFPNDVANCUGRQ-UHFFFAOYSA-N 2 0 276.344 -0.941 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001157716132 815455440 /nfs/dbraw/zinc/45/54/40/815455440.db2.gz LAPRPZQKPWIMNC-STQMWFEESA-N 3 0 296.415 -0.693 20 0 CBADRP CC1([NH3+])CN(C(=O)c2cccnc2O[C@H]2CC[NH2+]C2)C1 ZINC001157665655 815451579 /nfs/dbraw/zinc/45/15/79/815451579.db2.gz ILPVQUVFPYUZLL-JTQLQIEISA-N 2 0 276.340 -0.005 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCCCO1 ZINC001157681125 815452818 /nfs/dbraw/zinc/45/28/18/815452818.db2.gz DZDJUAMFXYJZMO-NSHDSACASA-N 2 0 256.350 -0.709 20 0 CBADRP CN(Cc1ncccn1)C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001157681434 815453121 /nfs/dbraw/zinc/45/31/21/815453121.db2.gz HXENQCNBIAQGJC-LBPRGKRZSA-N 2 0 263.345 -0.238 20 0 CBADRP COC(=O)[C@]1(F)CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001157715886 815455614 /nfs/dbraw/zinc/45/56/14/815455614.db2.gz KMTKHMKHWDKONF-KCJUWKMLSA-N 2 0 261.297 -0.834 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001110979787 811535382 /nfs/dbraw/zinc/53/53/82/811535382.db2.gz DFMFYGIINDGNPP-UTUOFQBUSA-N 2 0 255.362 -0.348 20 0 CBADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981405 811536270 /nfs/dbraw/zinc/53/62/70/811536270.db2.gz ONNRMSFXUCEJON-RQJABVFESA-N 2 0 299.415 -0.333 20 0 CBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001157715853 815455327 /nfs/dbraw/zinc/45/53/27/815455327.db2.gz JSRCZTRKGUFVTD-OLZOCXBDSA-N 3 0 286.420 -0.508 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC(F)(C2CC2)C1 ZINC001157708541 815455384 /nfs/dbraw/zinc/45/53/84/815455384.db2.gz VEYNHLWKVIACTF-LBPRGKRZSA-N 2 0 284.379 -0.303 20 0 CBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)C=C1CC[NH2+]CC1 ZINC001157721434 815456334 /nfs/dbraw/zinc/45/63/34/815456334.db2.gz XVIOYXBAHFWKSL-GFCCVEGCSA-N 2 0 253.346 -0.257 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001157720338 815456471 /nfs/dbraw/zinc/45/64/71/815456471.db2.gz GXXXHNLJWLKQJI-RYUDHWBXSA-N 3 0 272.393 -0.720 20 0 CBADRP NC(=O)CC[C@H]([NH3+])CC(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157743939 815461585 /nfs/dbraw/zinc/46/15/85/815461585.db2.gz IWZVNXYJBLSXOQ-GWCFXTLKSA-N 2 0 288.367 -0.351 20 0 CBADRP COC(=O)[C@]1(F)CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001157717163 815457216 /nfs/dbraw/zinc/45/72/16/815457216.db2.gz XJWRMLZSOILGIO-CABZTGNLSA-N 2 0 275.324 -0.444 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@@H](F)C(=O)C1 ZINC001157730732 815457888 /nfs/dbraw/zinc/45/78/88/815457888.db2.gz RPBJMZYLGNAOTE-NXEZZACHSA-N 2 0 269.320 -0.675 20 0 CBADRP O=C(N1CCC[C@H](F)C(=O)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157730022 815458272 /nfs/dbraw/zinc/45/82/72/815458272.db2.gz GVCKSWKABBKICD-UHIISALHSA-N 2 0 283.347 -0.285 20 0 CBADRP C[NH2+][C@H](C(=O)N1CCC[C@](F)(C[NH3+])CC1)[C@@H](C)O ZINC001157747094 815461633 /nfs/dbraw/zinc/46/16/33/815461633.db2.gz RUFQMCKRMGKJST-JFGNBEQYSA-N 2 0 261.341 -0.365 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](F)C(=O)C1 ZINC001157730872 815459615 /nfs/dbraw/zinc/45/96/15/815459615.db2.gz SMXPIIBOLUKJCZ-ZJUUUORDSA-N 2 0 259.325 -0.028 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]2C[NH2+]C[C@H](O)C2)CC1 ZINC001157740630 815460425 /nfs/dbraw/zinc/46/04/25/815460425.db2.gz PLGBHSGXIBLAJL-WZRBSPASSA-N 2 0 273.352 -0.364 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]2NC(=O)CC23C[NH2+]C3)CC1 ZINC001157738714 815460476 /nfs/dbraw/zinc/46/04/76/815460476.db2.gz CFGRGZPGBHIWSC-RISCZKNCSA-N 2 0 298.362 -0.856 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001157740332 815460529 /nfs/dbraw/zinc/46/05/29/815460529.db2.gz NMWQNAWFWFIFSO-YUTCNCBUSA-N 2 0 285.363 -0.098 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]2C[NH2+]CC[C@H]2O)CC1 ZINC001157740946 815460684 /nfs/dbraw/zinc/46/06/84/815460684.db2.gz RCUZWSQFPRNIRO-LOWVWBTDSA-N 2 0 273.352 -0.364 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001157746262 815461431 /nfs/dbraw/zinc/46/14/31/815461431.db2.gz OTHJJTKDHGDQQL-JSGCOSHPSA-N 3 0 286.395 -0.007 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001157746261 815461436 /nfs/dbraw/zinc/46/14/36/815461436.db2.gz OTHJJTKDHGDQQL-GXTWGEPZSA-N 3 0 286.395 -0.007 20 0 CBADRP NC1(C(=O)N2CCC[C@](F)(C[NH3+])CC2)CC[NH2+]CC1 ZINC001157744574 815461931 /nfs/dbraw/zinc/46/19/31/815461931.db2.gz JVFSXPLCFZMRTD-GFCCVEGCSA-N 2 0 272.368 -0.253 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]2C[NH2+]CCN2)CC1 ZINC001157754175 815462855 /nfs/dbraw/zinc/46/28/55/815462855.db2.gz HZKZQIXYSMHRSE-CMPLNLGQSA-N 2 0 258.341 -0.773 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157756175 815463097 /nfs/dbraw/zinc/46/30/97/815463097.db2.gz WGGORYYGPVEDQX-YPMHNXCESA-N 2 0 272.368 -0.431 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157804651 815468710 /nfs/dbraw/zinc/46/87/10/815468710.db2.gz UGPXYYHADITPHL-WOPDTQHZSA-N 2 0 284.404 -0.328 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCOCCO)C[C@H]21 ZINC001114042102 811711467 /nfs/dbraw/zinc/71/14/67/811711467.db2.gz WPNCKOIAACCVTE-RQJABVFESA-N 2 0 297.399 -0.864 20 0 CBADRP C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001157856978 815474505 /nfs/dbraw/zinc/47/45/05/815474505.db2.gz YKYBTEKRVCOGAD-WZRBSPASSA-N 2 0 269.389 -0.067 20 0 CBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001157844999 815470338 /nfs/dbraw/zinc/47/03/38/815470338.db2.gz ZFHRVCIQQQRTGV-NMKXLXIOSA-N 2 0 267.373 -0.192 20 0 CBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001157841802 815470444 /nfs/dbraw/zinc/47/04/44/815470444.db2.gz HXZBOSNZSMTHSX-OJROKELRSA-N 2 0 266.389 -0.206 20 0 CBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001157843442 815470498 /nfs/dbraw/zinc/47/04/98/815470498.db2.gz RAGQFCVCIZCDDI-GMTAPVOTSA-N 2 0 285.392 -0.652 20 0 CBADRP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)CNC1CC[NH2+]CC1 ZINC001157842420 815470911 /nfs/dbraw/zinc/47/09/11/815470911.db2.gz LHBYEIUXWIDOGR-RYUDHWBXSA-N 2 0 268.405 -0.086 20 0 CBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157843254 815470944 /nfs/dbraw/zinc/47/09/44/815470944.db2.gz PUOHJXIWIHWWCT-QVHKTLOISA-N 3 0 280.416 -0.229 20 0 CBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001157843291 815471010 /nfs/dbraw/zinc/47/10/10/815471010.db2.gz QCFMAPADFNSHIK-NTZNESFSSA-N 2 0 254.378 -0.347 20 0 CBADRP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001157841929 815471122 /nfs/dbraw/zinc/47/11/22/815471122.db2.gz IXKMOKSAHKPGFM-FPYNETTCSA-N 2 0 266.389 -0.478 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)C1CC1 ZINC001114409536 811747033 /nfs/dbraw/zinc/74/70/33/811747033.db2.gz MJIGKASUMOTORT-MROQNXINSA-N 2 0 267.373 -0.635 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114414237 811747529 /nfs/dbraw/zinc/74/75/29/811747529.db2.gz PAEINMWDNMKJSM-MUYACECFSA-N 2 0 281.400 -0.102 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114406877 811747578 /nfs/dbraw/zinc/74/75/78/811747578.db2.gz MNVDRDMBPZPRAF-NDBYEHHHSA-N 2 0 281.400 -0.102 20 0 CBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157850337 815472273 /nfs/dbraw/zinc/47/22/73/815472273.db2.gz XXIBJIJQEIMVGP-DYEKYZERSA-N 3 0 297.447 -0.677 20 0 CBADRP C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157855651 815473255 /nfs/dbraw/zinc/47/32/55/815473255.db2.gz OYQLVKFIGHICLO-BZPMIXESSA-N 2 0 298.431 -0.644 20 0 CBADRP C[C@H]1CC[C@@H](CO)CN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157855301 815473395 /nfs/dbraw/zinc/47/33/95/815473395.db2.gz MDDHCFJHPWBFHT-KYEXWDHISA-N 2 0 281.400 -0.195 20 0 CBADRP C[C@H]1CC[C@H](CO)CN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157855304 815473424 /nfs/dbraw/zinc/47/34/24/815473424.db2.gz MDDHCFJHPWBFHT-RMRHIDDWSA-N 2 0 281.400 -0.195 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)C[C@@H]1[NH3+] ZINC001157798980 815468391 /nfs/dbraw/zinc/46/83/91/815468391.db2.gz ISFMAQYNWPBZGB-YBXAARCKSA-N 2 0 253.346 -0.441 20 0 CBADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157803777 815468404 /nfs/dbraw/zinc/46/84/04/815468404.db2.gz JRYNQYSCVLPTIF-KATARQTJSA-N 2 0 256.350 -0.966 20 0 CBADRP C[C@@H]1CCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)C[C@@H]1[NH3+] ZINC001157803357 815468442 /nfs/dbraw/zinc/46/84/42/815468442.db2.gz DQJIJPXPXWKHAH-WOPDTQHZSA-N 2 0 282.388 -0.478 20 0 CBADRP C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001157856976 815474746 /nfs/dbraw/zinc/47/47/46/815474746.db2.gz YKYBTEKRVCOGAD-NQBHXWOUSA-N 2 0 269.389 -0.067 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157900580 815477853 /nfs/dbraw/zinc/47/78/53/815477853.db2.gz MSXCBOCLTWNQCP-DTWKUNHWSA-N 2 0 265.304 -0.471 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157900685 815477860 /nfs/dbraw/zinc/47/78/60/815477860.db2.gz PDZBKODAJAIYKH-UWVGGRQHSA-N 2 0 279.331 -0.081 20 0 CBADRP C[C@H]1CC[C@@H](CO)N1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001157915318 815481423 /nfs/dbraw/zinc/48/14/23/815481423.db2.gz RIQUYTHXPFTLTQ-GUBZILKMSA-N 2 0 261.391 -0.623 20 0 CBADRP [NH3+][C@@H](C(=O)N1C[C@H](CO)CC(F)(F)C1)C1CC[NH2+]CC1 ZINC001157900900 815479486 /nfs/dbraw/zinc/47/94/86/815479486.db2.gz UYDJBSLXKHEJGL-MWLCHTKSSA-N 2 0 291.342 -0.211 20 0 CBADRP [NH3+][C@H](C(=O)N1CCc2[nH]cnc2C1)C1CC[NH2+]CC1 ZINC001157922637 815482516 /nfs/dbraw/zinc/48/25/16/815482516.db2.gz TVVPCXIWRLCFAA-LBPRGKRZSA-N 2 0 263.345 -0.379 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2[nH]cnc2C1 ZINC001157922556 815482754 /nfs/dbraw/zinc/48/27/54/815482754.db2.gz RBGIZNJBFWZGGD-LLVKDONJSA-N 2 0 292.387 -0.955 20 0 CBADRP COC[C@@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157922445 815483259 /nfs/dbraw/zinc/48/32/59/815483259.db2.gz ODGUJKNOXMPJTK-RYUDHWBXSA-N 2 0 267.373 -0.177 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC[C@](F)(CO)CC1 ZINC001157936377 815488235 /nfs/dbraw/zinc/48/82/35/815488235.db2.gz ZTFUKZMLOLPYLL-CMPLNLGQSA-N 2 0 293.408 -0.281 20 0 CBADRP C[C@]1(CO)CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C[C@H]1O ZINC001157948198 815492104 /nfs/dbraw/zinc/49/21/04/815492104.db2.gz ZRWAPNIAQZIECW-OUCADQQQSA-N 2 0 287.404 -0.575 20 0 CBADRP O=C([C@@H]1C[NH2+]CCN1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157968261 815493033 /nfs/dbraw/zinc/49/30/33/815493033.db2.gz GWTCUTFNRLNTBK-KBPBESRZSA-N 2 0 274.368 -0.279 20 0 CBADRP Cc1nc(CCN(C)C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)no1 ZINC001157984384 815494547 /nfs/dbraw/zinc/49/45/47/815494547.db2.gz ZYXSMQMEWPQZKO-LBPRGKRZSA-N 2 0 281.360 -0.294 20 0 CBADRP [NH3+][C@H]1CCc2nn(-c3ccc(N4CC[NH2+]CC4)nn3)cc2C1 ZINC001157979434 815493222 /nfs/dbraw/zinc/49/32/22/815493222.db2.gz FFDLJTDZXKXZSH-LBPRGKRZSA-N 2 0 299.382 -0.112 20 0 CBADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157967492 815493299 /nfs/dbraw/zinc/49/32/99/815493299.db2.gz DBRRQIPJLVZAKF-IHRRRGAJSA-N 2 0 275.352 -0.118 20 0 CBADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157967493 815493327 /nfs/dbraw/zinc/49/33/27/815493327.db2.gz DBRRQIPJLVZAKF-RDBSUJKOSA-N 2 0 275.352 -0.118 20 0 CBADRP C[C@@]1(CO)CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC[C@@H]1O ZINC001157944562 815490690 /nfs/dbraw/zinc/49/06/90/815490690.db2.gz JOPAVQFJKDKAAA-OBJOEFQTSA-N 2 0 287.404 -0.575 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCNCC(F)(F)C1)C1CC[NH2+]CC1 ZINC001157946960 815490837 /nfs/dbraw/zinc/49/08/37/815490837.db2.gz QBJIOFFIMOUNII-SNVBAGLBSA-N 2 0 276.331 -0.620 20 0 CBADRP CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)[C@H]1CC[C@H](O)CC1 ZINC001157997874 815496729 /nfs/dbraw/zinc/49/67/29/815496729.db2.gz RGWGJEJZMYDVLS-MGPQQGTHSA-N 2 0 298.431 -0.501 20 0 CBADRP CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158014863 815498143 /nfs/dbraw/zinc/49/81/43/815498143.db2.gz OAHMKUWTWXJTNH-LALPHHSUSA-N 2 0 299.415 -0.834 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H](F)C[C@H]1C(=O)OC ZINC001158014388 815498390 /nfs/dbraw/zinc/49/83/90/815498390.db2.gz LATLMHZVZCAYOS-DCAQKATOSA-N 2 0 289.351 -0.185 20 0 CBADRP NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158036859 815500053 /nfs/dbraw/zinc/50/00/53/815500053.db2.gz FQNJDBXYOLAIFT-NWDGAFQWSA-N 2 0 282.388 -0.558 20 0 CBADRP O=C(NCCC[NH2+]CCO)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158036916 815500344 /nfs/dbraw/zinc/50/03/44/815500344.db2.gz GMOQETDOJCIYMR-CHWSQXEVSA-N 2 0 269.389 -0.051 20 0 CBADRP O=C([C@@H]1CC[NH2+]C[C@@H]1F)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158077268 815501269 /nfs/dbraw/zinc/50/12/69/815501269.db2.gz SHSCACSSIHQSFQ-NEPJUHHUSA-N 2 0 285.363 -0.085 20 0 CBADRP [NH3+]Cc1nnnn1-c1cccc(OCC[NH+]2CCCC2)n1 ZINC001158076441 815501854 /nfs/dbraw/zinc/50/18/54/815501854.db2.gz ALJOPXZIFINXNX-UHFFFAOYSA-N 2 0 289.343 -0.009 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076609 815501882 /nfs/dbraw/zinc/50/18/82/815501882.db2.gz LOVQXOMWWGPEHL-ZDUSSCGKSA-N 3 0 298.431 -0.186 20 0 CBADRP N[C@@]1(C(=O)N2CCOC3(CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC001158077236 815502154 /nfs/dbraw/zinc/50/21/54/815502154.db2.gz RVPAJVISODZYFM-AWEZNQCLSA-N 2 0 282.388 -0.952 20 0 CBADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@@H]1C[NH2+]CCN1)CC2 ZINC001158082804 815502735 /nfs/dbraw/zinc/50/27/35/815502735.db2.gz RXYSAEHVMCYQPD-NSHDSACASA-N 2 0 252.362 -0.722 20 0 CBADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)CC2 ZINC001158082254 815502914 /nfs/dbraw/zinc/50/29/14/815502914.db2.gz MYIWYGHEXLZCME-GFCCVEGCSA-N 2 0 294.399 -0.953 20 0 CBADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@@]13C[NH2+]C[C@H]1CCN3)CC2 ZINC001158081655 815502921 /nfs/dbraw/zinc/50/29/21/815502921.db2.gz FVDRLTLGLPLKPC-IAQYHMDHSA-N 2 0 278.400 -0.332 20 0 CBADRP N[C@]1(C(=O)N2CCC3(CC([NH3+])C3)CC2)CCC[NH2+]C1 ZINC001158083120 815503223 /nfs/dbraw/zinc/50/32/23/815503223.db2.gz UYMGDKNYMGHJIJ-CQSZACIVSA-N 2 0 266.389 -0.203 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]C1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158092184 815503929 /nfs/dbraw/zinc/50/39/29/815503929.db2.gz LTDRAUBCBRCRIH-SMDDNHRTSA-N 2 0 280.372 -0.933 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)C1 ZINC001158091876 815504027 /nfs/dbraw/zinc/50/40/27/815504027.db2.gz JEINIJRSNJUDAR-GYSYKLTISA-N 2 0 280.372 -0.935 20 0 CBADRP CC1(C)C[NH2+][C@@](C)(C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)C1 ZINC001158091506 815504429 /nfs/dbraw/zinc/50/44/29/815504429.db2.gz DNFUIRQPJRAPGZ-CABCVRRESA-N 2 0 294.399 -0.545 20 0 CBADRP CCCC[C@H]([NH2+]C)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158092198 815504450 /nfs/dbraw/zinc/50/44/50/815504450.db2.gz LZMBTZAHCZSFGA-FZMZJTMJSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167927 815508397 /nfs/dbraw/zinc/50/83/97/815508397.db2.gz PIOJBQGSSYVBEW-FDYHWXHSSA-N 2 0 267.373 -0.179 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001114746444 812156411 /nfs/dbraw/zinc/15/64/11/812156411.db2.gz SKNZLKORTIKCJB-IMRBUKKESA-N 2 0 269.389 -0.243 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114750193 812157041 /nfs/dbraw/zinc/15/70/41/812157041.db2.gz CMBHDSYBJUDKGL-KZVDOYCCSA-N 2 0 294.399 -0.737 20 0 CBADRP COCCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114779116 812160570 /nfs/dbraw/zinc/16/05/70/812160570.db2.gz XNMIUIGZGXPMOK-NHAGDIPZSA-N 2 0 299.415 -0.353 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161623 815507204 /nfs/dbraw/zinc/50/72/04/815507204.db2.gz WKNCKPKWWJVDSJ-WCQYABFASA-N 3 0 254.378 -0.203 20 0 CBADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CCC[C@]12CCC[NH2+]C2 ZINC001158159825 815507512 /nfs/dbraw/zinc/50/75/12/815507512.db2.gz FWTJSMIDDWCRDY-JSGCOSHPSA-N 2 0 294.399 -0.939 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@H]21 ZINC001114996828 812172131 /nfs/dbraw/zinc/17/21/31/812172131.db2.gz FZTCSYZQCQNPNT-NMKXLXIOSA-N 2 0 296.415 -0.491 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001114996655 812172400 /nfs/dbraw/zinc/17/24/00/812172400.db2.gz BZXUNKFQQDCXGQ-CZXHOFHRSA-N 2 0 296.415 -0.362 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158195604 815512019 /nfs/dbraw/zinc/51/20/19/815512019.db2.gz ALKORONOQCNZPV-ZDUSSCGKSA-N 2 0 296.415 -0.440 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001158196981 815512054 /nfs/dbraw/zinc/51/20/54/815512054.db2.gz PLXZIRCECHICEE-ZYHUDNBSSA-N 2 0 282.388 -0.702 20 0 CBADRP CO[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115127056 812180561 /nfs/dbraw/zinc/18/05/61/812180561.db2.gz ZZYYNNWLXSTINH-CXTNEJHOSA-N 2 0 299.415 -0.354 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCOCCO)C[C@H]21 ZINC001115159034 812182100 /nfs/dbraw/zinc/18/21/00/812182100.db2.gz BQMUMDKDHNSXEG-NHAGDIPZSA-N 2 0 299.415 -0.617 20 0 CBADRP O=C(N1CC[C@@H]2[NH2+]CC[C@H]21)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158199174 815512581 /nfs/dbraw/zinc/51/25/81/815512581.db2.gz OKWKHHFUHLBERN-GFQSEFKGSA-N 3 0 264.373 -0.852 20 0 CBADRP O=C(C1=NO[C@@]2(CC[NH2+]C2)C1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199309 815512624 /nfs/dbraw/zinc/51/26/24/815512624.db2.gz SZPYRAVESGAWPN-NDMJEZRESA-N 2 0 264.329 -0.542 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001158202410 815512737 /nfs/dbraw/zinc/51/27/37/815512737.db2.gz SWNVCFFKFOFMKQ-OLZOCXBDSA-N 2 0 296.415 -0.312 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158198574 815512880 /nfs/dbraw/zinc/51/28/80/815512880.db2.gz HYSQUHDCLITHQB-ZDEQEGDKSA-N 2 0 296.415 -0.173 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)CC[NH2+]C[C@H]1O ZINC001158198812 815512910 /nfs/dbraw/zinc/51/29/10/815512910.db2.gz JIJIUVXZEOKSSZ-WGBDABJCSA-N 2 0 253.346 -0.690 20 0 CBADRP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115304101 812190257 /nfs/dbraw/zinc/19/02/57/812190257.db2.gz OJLQPDILDJAAHZ-CIQGVGRVSA-N 2 0 296.415 -0.493 20 0 CBADRP [NH3+][C@@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21)C1CC[NH2+]CC1 ZINC001158208052 815513615 /nfs/dbraw/zinc/51/36/15/815513615.db2.gz JSEMEQLYCNOQME-QJPTWQEYSA-N 3 0 252.362 -0.724 20 0 CBADRP [NH3+][C@@H](CO)Cc1cncn1-c1ncc2c(n1)C[NH2+]C2 ZINC001158204678 815513661 /nfs/dbraw/zinc/51/36/61/815513661.db2.gz TYIQQZNBVFAOCZ-SECBINFHSA-N 2 0 260.301 -0.872 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168973 815508462 /nfs/dbraw/zinc/50/84/62/815508462.db2.gz LEILQWQHSNKJQH-NSHDSACASA-N 3 0 254.378 -0.203 20 0 CBADRP N[C@@]1(C(=O)N2CCC3(CCC[NH2+]3)CC2)CC[NH2+]C1 ZINC001158169356 815508470 /nfs/dbraw/zinc/50/84/70/815508470.db2.gz PLJFXAXBQLLZFV-ZDUSSCGKSA-N 2 0 252.362 -0.578 20 0 CBADRP O=C([C@H]1CC[NH2+]C[C@@H]1F)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158178716 815509431 /nfs/dbraw/zinc/50/94/31/815509431.db2.gz AUMFVHKMGQMCDX-NOOOWODRSA-N 2 0 271.336 -0.619 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)N2CCC3(CCC[NH2+]3)CC2)C1 ZINC001158170097 815509575 /nfs/dbraw/zinc/50/95/75/815509575.db2.gz VLRPCOIAIYLBGI-QWRGUYRKSA-N 2 0 252.362 -0.580 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158196985 815511414 /nfs/dbraw/zinc/51/14/14/815511414.db2.gz PRIDYSKXLYGXAJ-DGCLKSJQSA-N 2 0 296.415 -0.441 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158216259 815514765 /nfs/dbraw/zinc/51/47/65/815514765.db2.gz VXUYFSIQJXWOBM-KQXIARHKSA-N 2 0 282.388 -0.561 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158214709 815515074 /nfs/dbraw/zinc/51/50/74/815515074.db2.gz BYNRYURVGSWVRK-QJPTWQEYSA-N 2 0 252.362 -0.805 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC2(C1)CCCO2 ZINC001158236059 815515288 /nfs/dbraw/zinc/51/52/88/815515288.db2.gz WOVKAZZUADVWOG-SNVBAGLBSA-N 2 0 251.330 -0.813 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001158320116 815520522 /nfs/dbraw/zinc/52/05/22/815520522.db2.gz SJVVKTDNJSPMGZ-HLTSFMKQSA-N 2 0 263.288 -0.455 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277071 815518341 /nfs/dbraw/zinc/51/83/41/815518341.db2.gz HRMDKRPRYWZWKZ-JTQLQIEISA-N 2 0 278.360 -0.706 20 0 CBADRP [NH3+][C@H]1CCCCN(CC(=O)N2C[C@@H]3CC[NH2+][C@@H]3C2)C1=O ZINC001158306785 815519201 /nfs/dbraw/zinc/51/92/01/815519201.db2.gz WZJRUUASNRLBJE-SDDRHHMPSA-N 2 0 280.372 -0.854 20 0 CBADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306383 815519215 /nfs/dbraw/zinc/51/92/15/815519215.db2.gz RNCZHQSAMCFWGZ-YNEHKIRRSA-N 3 0 278.400 -0.319 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306654 815519755 /nfs/dbraw/zinc/51/97/55/815519755.db2.gz VPJJWBUESOAYQP-SDDRHHMPSA-N 2 0 282.388 -0.704 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305719 815519820 /nfs/dbraw/zinc/51/98/20/815519820.db2.gz KQXGIASKSPGBPV-ZMLRMANQSA-N 2 0 263.345 -0.890 20 0 CBADRP [NH3+][C@@H](C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1)C1CC[NH2+]CC1 ZINC001158306781 815519844 /nfs/dbraw/zinc/51/98/44/815519844.db2.gz WYXOGHPRJGGBBY-QJPTWQEYSA-N 3 0 252.362 -0.866 20 0 CBADRP [NH3+]CCNCC(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158335769 815521004 /nfs/dbraw/zinc/52/10/04/815521004.db2.gz XSLHNLBAOBJCQD-UONOGXRCSA-N 2 0 274.368 -0.368 20 0 CBADRP Cc1nc2c([nH]1)CCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)CC2 ZINC001158346984 815521751 /nfs/dbraw/zinc/52/17/51/815521751.db2.gz FQKGUUJFHHLWOF-AWEZNQCLSA-N 2 0 291.399 -0.028 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001158381076 815522601 /nfs/dbraw/zinc/52/26/01/815522601.db2.gz XHSFYWVRMTZYAA-GMTAPVOTSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2nnnn2C)CC[N@@H+]1C ZINC001158420409 815527203 /nfs/dbraw/zinc/52/72/03/815527203.db2.gz BFGSHLRKSGLKQS-GHMZBOCLSA-N 2 0 295.391 -0.854 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC001117972065 812460148 /nfs/dbraw/zinc/46/01/48/812460148.db2.gz MTNJOAXKBYYSJR-SDDRHHMPSA-N 2 0 282.388 -0.465 20 0 CBADRP O=C(N1CCC[C@H]2[NH2+]C[C@H]21)[C@]12C[NH2+]C[C@H]1COC2 ZINC001158423427 815528103 /nfs/dbraw/zinc/52/81/03/815528103.db2.gz OMZCXZQPWWVXRO-WGBDABJCSA-N 2 0 251.330 -0.815 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158424283 815528448 /nfs/dbraw/zinc/52/84/48/815528448.db2.gz RIQKCOSXWREEBK-FRRDWIJNSA-N 2 0 282.388 -0.417 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158424336 815528556 /nfs/dbraw/zinc/52/85/56/815528556.db2.gz ROZAIHLTNPAZIW-VXGBXAGGSA-N 2 0 252.362 -0.709 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158423040 815528595 /nfs/dbraw/zinc/52/85/95/815528595.db2.gz MENTZHNBDXDTBS-UWVGGRQHSA-N 2 0 253.350 -0.397 20 0 CBADRP CC[C@@]1(C(=O)NC[C@H]2C[NH2+]CCCO2)CC[NH2+]C1 ZINC001118161652 812481950 /nfs/dbraw/zinc/48/19/50/812481950.db2.gz CPVCOQSVVFVCQK-DGCLKSJQSA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158428811 815529108 /nfs/dbraw/zinc/52/91/08/815529108.db2.gz UICVTPSGENFUJS-IJLUTSLNSA-N 2 0 257.378 -0.197 20 0 CBADRP CN(C(=O)c1[nH]nc2c1C[NH2+]CC2)C1CC[NH2+]CC1 ZINC001118192188 812488207 /nfs/dbraw/zinc/48/82/07/812488207.db2.gz BAIDJLARBAIUJO-UHFFFAOYSA-N 2 0 263.345 -0.121 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC1CC[NH2+]CC1 ZINC001118192189 812488369 /nfs/dbraw/zinc/48/83/69/812488369.db2.gz BBCMEZHQLQYGJW-LLVKDONJSA-N 2 0 268.361 -0.887 20 0 CBADRP [NH3+]Cc1cnnn1-c1ccc(OCC2CC[NH2+]CC2)nn1 ZINC001158428403 815529375 /nfs/dbraw/zinc/52/93/75/815529375.db2.gz WFCUQWMXZBTQDV-UHFFFAOYSA-N 2 0 289.343 -0.106 20 0 CBADRP C[NH2+]CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001118197330 812491059 /nfs/dbraw/zinc/49/10/59/812491059.db2.gz LWWSGWHWZGLYCS-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC001118199960 812493102 /nfs/dbraw/zinc/49/31/02/812493102.db2.gz XFCGFDWDLYHNRE-TUAOUCFPSA-N 2 0 255.362 -0.227 20 0 CBADRP C[C@H]([NH3+])CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001118201928 812493824 /nfs/dbraw/zinc/49/38/24/812493824.db2.gz MJNAMTOHTOMJFR-DTWKUNHWSA-N 2 0 252.322 -0.720 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC001118206247 812496645 /nfs/dbraw/zinc/49/66/45/812496645.db2.gz YSUGNNDKIIPFIC-WDEREUQCSA-N 2 0 268.361 -0.948 20 0 CBADRP O[C@@H]1CCC[C@@H]1[NH+]1CCN(CCN2CC[NH2+]CC2)CC1 ZINC001118223232 812499167 /nfs/dbraw/zinc/49/91/67/812499167.db2.gz OWNOLKPPBBMXMB-LSDHHAIUSA-N 2 0 282.432 -0.577 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158567164 815538249 /nfs/dbraw/zinc/53/82/49/815538249.db2.gz FKTJUIFUYOTHIC-DLOVCJGASA-N 2 0 295.362 -0.185 20 0 CBADRP O=C(CN(C1CC1)C1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC001118260692 812510552 /nfs/dbraw/zinc/51/05/52/812510552.db2.gz FPSZJNMWYXPEJM-UHFFFAOYSA-N 2 0 266.389 -0.365 20 0 CBADRP C[NH2+]C[C@H]1CCCN(CC(=O)N2CC[NH2+]CC2)C1 ZINC001118261445 812511304 /nfs/dbraw/zinc/51/13/04/812511304.db2.gz VJGAHDBAQOREHV-GFCCVEGCSA-N 2 0 254.378 -0.650 20 0 CBADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC001118278122 812517256 /nfs/dbraw/zinc/51/72/56/812517256.db2.gz SRUIIFDHMVWGAD-PWSUYJOCSA-N 2 0 256.394 -0.149 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158567836 815538361 /nfs/dbraw/zinc/53/83/61/815538361.db2.gz KQZXHINAOUBAHK-VWYCJHECSA-N 3 0 272.368 -0.412 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@H](N)CC[NH+](C)C)C1 ZINC001118338012 812534196 /nfs/dbraw/zinc/53/41/96/812534196.db2.gz VXWTZKGERNLUAZ-VXGBXAGGSA-N 2 0 256.394 -0.277 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001118337464 812534647 /nfs/dbraw/zinc/53/46/47/812534647.db2.gz NWSBPVXZBBIVQB-SDDRHHMPSA-N 2 0 254.378 -0.524 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]([NH3+])C(C)C ZINC001158496454 815534999 /nfs/dbraw/zinc/53/49/99/815534999.db2.gz NNUKHACTCUYXSR-YFKTTZPYSA-N 2 0 283.372 -0.278 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CC[NH2+]1 ZINC001158496507 815535136 /nfs/dbraw/zinc/53/51/36/815535136.db2.gz PWMPKSGTZBYJFM-XWLWVQCSSA-N 2 0 267.329 -0.900 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@]1(C)CCC[NH2+]1 ZINC001158496661 815535142 /nfs/dbraw/zinc/53/51/42/815535142.db2.gz WSEDYNTUVMUDFN-OHTBPHCPSA-N 2 0 295.383 -0.120 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158548324 815538422 /nfs/dbraw/zinc/53/84/22/815538422.db2.gz SUULJSANOGIUNW-RMRHIDDWSA-N 2 0 295.383 -0.656 20 0 CBADRP COCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158509145 815536588 /nfs/dbraw/zinc/53/65/88/815536588.db2.gz ZHXPSVPJBYCRMY-STQMWFEESA-N 2 0 285.388 -0.408 20 0 CBADRP C[C@H]([NH3+])CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001118505774 812562171 /nfs/dbraw/zinc/56/21/71/812562171.db2.gz IBXOEYTXEOEFGA-VHSXEESVSA-N 2 0 266.349 -0.330 20 0 CBADRP COCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158509137 815536778 /nfs/dbraw/zinc/53/67/78/815536778.db2.gz ZHXPSVPJBYCRMY-CHWSQXEVSA-N 2 0 285.388 -0.408 20 0 CBADRP O=C([C@@H]1CCCCC[NH2+]1)N1CCOC2(C[NH2+]C2)C1 ZINC001118542466 812570695 /nfs/dbraw/zinc/57/06/95/812570695.db2.gz XJYGFPOVGYQLAJ-NSHDSACASA-N 2 0 253.346 -0.281 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[C@H](C)[NH2+]C)C1 ZINC001118550363 812573259 /nfs/dbraw/zinc/57/32/59/812573259.db2.gz DZLSGSUCSMMRPE-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001158535597 815537689 /nfs/dbraw/zinc/53/76/89/815537689.db2.gz XZHAQVUQRNDFAI-SUNKGSAMSA-N 2 0 283.372 -0.003 20 0 CBADRP CN(C(=O)C1=NO[C@@H](C[NH3+])C1)C1CCC([NH3+])CC1 ZINC001118568991 812577473 /nfs/dbraw/zinc/57/74/73/812577473.db2.gz MQTUREQPOCLRNN-UDNWOFFPSA-N 2 0 254.334 -0.182 20 0 CBADRP [NH3+]C1([C@@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@@H]2CF)CC1 ZINC001158569002 815537950 /nfs/dbraw/zinc/53/79/50/815537950.db2.gz UWQYSXVRTYPXQU-NWDGAFQWSA-N 2 0 284.379 -0.573 20 0 CBADRP [NH3+]C1([C@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@H]2CF)CC1 ZINC001158568167 815538057 /nfs/dbraw/zinc/53/80/57/815538057.db2.gz MJSVUNKZAWJQTP-CHWFTXMASA-N 2 0 271.336 -0.755 20 0 CBADRP CC[NH2+]CC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118571505 812580311 /nfs/dbraw/zinc/58/03/11/812580311.db2.gz DQQASESCKRGONU-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]C1([C@@H]2CN(C(=O)CNC3CC[NH2+]CC3)C[C@@H]2CF)CC1 ZINC001158567644 815538635 /nfs/dbraw/zinc/53/86/35/815538635.db2.gz JEXMPIOIGRDKQH-WCQYABFASA-N 2 0 298.406 -0.137 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158577811 815539258 /nfs/dbraw/zinc/53/92/58/815539258.db2.gz JFYIZWOOHWLUAL-QWRGUYRKSA-N 3 0 272.368 -0.540 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158579597 815539682 /nfs/dbraw/zinc/53/96/82/815539682.db2.gz VPTWHOWDVLJGNX-SRVKXCTJSA-N 3 0 286.395 -0.022 20 0 CBADRP CO[C@@H]1CN(c2ncc(C)c(C3C[NH2+]C3)n2)C[C@@H]1[NH3+] ZINC001158722023 815544394 /nfs/dbraw/zinc/54/43/94/815544394.db2.gz WWKDVTQBIPWXKU-WDEREUQCSA-N 2 0 263.345 -0.366 20 0 CBADRP COCCN1CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001158605497 815540651 /nfs/dbraw/zinc/54/06/51/815540651.db2.gz YDVCKTGPJTYXNH-LBPRGKRZSA-N 2 0 272.393 -0.767 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCCC(=O)CC1 ZINC001158661929 815543085 /nfs/dbraw/zinc/54/30/85/815543085.db2.gz ZRZRUAVBZCPZCR-NSHDSACASA-N 2 0 251.330 -0.623 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001118871600 812648651 /nfs/dbraw/zinc/64/86/51/812648651.db2.gz MHKDWSNWPTUKCJ-QJPTWQEYSA-N 2 0 282.388 -0.737 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC001118903620 812658041 /nfs/dbraw/zinc/65/80/41/812658041.db2.gz UWHMTMREAXPUON-SRVKXCTJSA-N 2 0 284.404 -0.409 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001118920010 812662150 /nfs/dbraw/zinc/66/21/50/812662150.db2.gz SHJCJMGYEIOWRK-RNJOBUHISA-N 2 0 296.415 -0.158 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)NCC1([NH3+])CCOCC1 ZINC001118921657 812663732 /nfs/dbraw/zinc/66/37/32/812663732.db2.gz ZLCAVAUMUASRCR-SNVBAGLBSA-N 2 0 258.366 -0.351 20 0 CBADRP C[C@@H](CCC[NH3+])NC(=O)NCC1([NH3+])CCOCC1 ZINC001118920907 812663825 /nfs/dbraw/zinc/66/38/25/812663825.db2.gz GRGCSFYIKCMXMJ-JTQLQIEISA-N 2 0 258.366 -0.079 20 0 CBADRP [NH3+][C@H]1CN(c2cc3c(nn2)CC[NH2+]C3)CC12COC2 ZINC001158766239 815546183 /nfs/dbraw/zinc/54/61/83/815546183.db2.gz VXYJUYZGQDUBAE-NSHDSACASA-N 2 0 261.329 -0.714 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)C[C@H]1C[NH3+] ZINC001119005730 812689226 /nfs/dbraw/zinc/68/92/26/812689226.db2.gz PHCXUNFOGDJHIB-RNWYCLNJSA-N 2 0 253.346 -0.584 20 0 CBADRP [NH3+][C@@H]1CN(c2ncnc3c2CC[NH2+]CC3)CC12COC2 ZINC001158765185 815546345 /nfs/dbraw/zinc/54/63/45/815546345.db2.gz VBVXTWQKQLSZJL-GFCCVEGCSA-N 2 0 275.356 -0.671 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001119056252 812702187 /nfs/dbraw/zinc/70/21/87/812702187.db2.gz NRJSBLRAHJZGJB-DVVUODLYSA-N 2 0 251.334 -0.590 20 0 CBADRP CN1CCO[C@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C[C@H]21 ZINC001158804624 815548075 /nfs/dbraw/zinc/54/80/75/815548075.db2.gz UICKHNCVRMMQQZ-MJBXVCDLSA-N 2 0 298.431 -0.413 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001119242250 812730504 /nfs/dbraw/zinc/73/05/04/812730504.db2.gz XQTKKTHWYXXSOD-NXEZZACHSA-N 2 0 266.349 -0.378 20 0 CBADRP CCN(CC[NH3+])C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001119296970 812746211 /nfs/dbraw/zinc/74/62/11/812746211.db2.gz DAJPLLHKUAZCEV-UHFFFAOYSA-N 2 0 266.349 -0.377 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1CC12CC[NH2+]CC2 ZINC001119298785 812747303 /nfs/dbraw/zinc/74/73/03/812747303.db2.gz BEJWCXXFRMLZIH-GHMZBOCLSA-N 2 0 253.346 -0.519 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)[C@H]1CC12CC[NH2+]CC2 ZINC001119298790 812747415 /nfs/dbraw/zinc/74/74/15/812747415.db2.gz BEJWCXXFRMLZIH-WDEREUQCSA-N 2 0 253.346 -0.519 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)nn1 ZINC001119300587 812748425 /nfs/dbraw/zinc/74/84/25/812748425.db2.gz ACGHLVBSORPNTA-ONGXEEELSA-N 2 0 264.333 -0.797 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119354111 812764111 /nfs/dbraw/zinc/76/41/11/812764111.db2.gz AEHMUXPMLQAVDJ-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119356632 812764931 /nfs/dbraw/zinc/76/49/31/812764931.db2.gz JPXIEQWJSNCXFM-MRBYEJRBSA-N 2 0 294.399 -0.561 20 0 CBADRP [NH3+]CCCN(CC(F)(F)F)C(=O)[C@H]1C[NH2+]CCO1 ZINC001119358697 812764964 /nfs/dbraw/zinc/76/49/64/812764964.db2.gz HFZNAAPRGJYOAO-MRVPVSSYSA-N 2 0 269.267 -0.286 20 0 CBADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC001119356486 812765381 /nfs/dbraw/zinc/76/53/81/812765381.db2.gz INLYHZVSZZTLIH-CYBMUJFWSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119361231 812766386 /nfs/dbraw/zinc/76/63/86/812766386.db2.gz VCDMBYBCXUYLKP-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001119367887 812768468 /nfs/dbraw/zinc/76/84/68/812768468.db2.gz AJKADXQFMMNJON-RWMBFGLXSA-N 2 0 296.415 -0.360 20 0 CBADRP CCN(C(=O)c1cn(CCC[NH3+])nn1)[C@H]1CC[NH2+]C1 ZINC001119380164 812773155 /nfs/dbraw/zinc/77/31/55/812773155.db2.gz FQOZLKSYSWRODS-JTQLQIEISA-N 2 0 266.349 -0.549 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001119403920 812776396 /nfs/dbraw/zinc/77/63/96/812776396.db2.gz OLRDSSJELAXQTB-BETUJISGSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC[N@@H+]1C ZINC001119407223 812776736 /nfs/dbraw/zinc/77/67/36/812776736.db2.gz GLLFUEDLEOXWLW-YNEHKIRRSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001119415633 812777815 /nfs/dbraw/zinc/77/78/15/812777815.db2.gz WPNIYGBSIMKLRL-MXWKQRLJSA-N 2 0 270.377 -0.609 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001119415704 812778046 /nfs/dbraw/zinc/77/80/46/812778046.db2.gz YOKMIQLZWBUFAP-OUAUKWLOSA-N 2 0 280.372 -0.807 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC001119488798 812792978 /nfs/dbraw/zinc/79/29/78/812792978.db2.gz WUIBVNYOPINAMK-GARJFASQSA-N 2 0 256.350 -0.375 20 0 CBADRP CNC(=O)C1([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CCOCC1 ZINC001119541744 812802864 /nfs/dbraw/zinc/80/28/64/812802864.db2.gz SJWBKGGXASHPGF-MNOVXSKESA-N 2 0 255.362 -0.273 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCN1CC=CC1 ZINC001119597309 812825925 /nfs/dbraw/zinc/82/59/25/812825925.db2.gz CDAHXCJNHMZLJN-DGCLKSJQSA-N 2 0 253.346 -0.571 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]([NH3+])C(C)(C)C3)C[C@@H]21 ZINC001119610876 812833338 /nfs/dbraw/zinc/83/33/38/812833338.db2.gz IRADOPQNKBREHJ-GRYCIOLGSA-N 2 0 294.399 -0.655 20 0 CBADRP COCc1n[nH]c2c1CN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001159090310 815559030 /nfs/dbraw/zinc/55/90/30/815559030.db2.gz CFNCBTPSACQIJT-SNVBAGLBSA-N 2 0 291.355 -0.793 20 0 CBADRP O[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1(O)CCOCC1 ZINC001119746336 812880841 /nfs/dbraw/zinc/88/08/41/812880841.db2.gz MLFLTHSOHXIHCC-GRYCIOLGSA-N 2 0 256.346 -0.960 20 0 CBADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)C1 ZINC001120269056 812945519 /nfs/dbraw/zinc/94/55/19/812945519.db2.gz MEJVMPFAKYIZBX-GRYCIOLGSA-N 2 0 267.373 -0.313 20 0 CBADRP CS(=O)(=O)N1CC[C@@H](C[NH2+]C2CC(C[NH3+])C2)C1 ZINC001120371345 812955761 /nfs/dbraw/zinc/95/57/61/812955761.db2.gz WEBOIXVPRZNVPA-WHXUTIOJSA-N 2 0 261.391 -0.405 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001120455958 812969781 /nfs/dbraw/zinc/96/97/81/812969781.db2.gz NWNBAGFFGGLNCS-SRRSOLGSSA-N 2 0 255.362 -0.315 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCNCC[NH2+]CC1 ZINC001120492850 812975180 /nfs/dbraw/zinc/97/51/80/812975180.db2.gz QILSCTNTGBEOGB-ZDUSSCGKSA-N 2 0 285.436 -0.079 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001120534134 812984254 /nfs/dbraw/zinc/98/42/54/812984254.db2.gz XCUJUAOVTIHVTH-TXEJJXNPSA-N 2 0 296.415 -0.312 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H](C)[NH+](C)C ZINC001120536881 812985206 /nfs/dbraw/zinc/98/52/06/812985206.db2.gz RNGYQMXZGSQDIQ-QWRGUYRKSA-N 2 0 258.366 -0.434 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC[C@@]12CC[NH2+]C2 ZINC001120545754 812987591 /nfs/dbraw/zinc/98/75/91/812987591.db2.gz LOVJDWFBSZRQNR-WGBDABJCSA-N 2 0 250.346 -0.258 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)CCC[NH3+] ZINC001120545756 812987927 /nfs/dbraw/zinc/98/79/27/812987927.db2.gz LRBYGPAVCFNHQX-MNOVXSKESA-N 2 0 258.366 -0.256 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCO1 ZINC001120579334 812995934 /nfs/dbraw/zinc/99/59/34/812995934.db2.gz QCCQZDLHVFHAFL-PREPNJAASA-N 2 0 268.361 -0.363 20 0 CBADRP CN(C(=O)NCC(C)(C)[NH3+])C1(C[NH3+])CCOCC1 ZINC001120629091 813001691 /nfs/dbraw/zinc/00/16/91/813001691.db2.gz BPHSLANSFGGOQZ-UHFFFAOYSA-N 2 0 258.366 -0.127 20 0 CBADRP CCO[C@@H](CNC(=O)N(C)[C@H](C)C[NH3+])C[NH+](C)C ZINC001120651090 813006216 /nfs/dbraw/zinc/00/62/16/813006216.db2.gz OKMBWZDFUGMZQK-MNOVXSKESA-N 2 0 260.382 -0.058 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCO1 ZINC001120668038 813008439 /nfs/dbraw/zinc/00/84/39/813008439.db2.gz DYRGJEWCXLNPOG-UKKRHICBSA-N 2 0 254.334 -0.752 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001120671480 813010319 /nfs/dbraw/zinc/01/03/19/813010319.db2.gz YZVDULLZXGRVSM-GMTAPVOTSA-N 2 0 256.350 -0.647 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001159335072 815570441 /nfs/dbraw/zinc/57/04/41/815570441.db2.gz QOZMMYYZMFHCLN-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCO ZINC001159356298 815571641 /nfs/dbraw/zinc/57/16/41/815571641.db2.gz VDYJXHHDDAUSJK-LBPRGKRZSA-N 2 0 257.378 -0.051 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCC(CO)CC1 ZINC001121810389 813077198 /nfs/dbraw/zinc/07/71/98/813077198.db2.gz ISWUVIFWGBSCAL-NSHDSACASA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC001121810422 813077483 /nfs/dbraw/zinc/07/74/83/813077483.db2.gz JEMOPWKOZVSROB-WOPDTQHZSA-N 2 0 252.362 -0.805 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[C@@H](C[NH3+])C1 ZINC001121811355 813078011 /nfs/dbraw/zinc/07/80/11/813078011.db2.gz ZTKMAFYWGJLFHE-GRYCIOLGSA-N 2 0 252.362 -0.818 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001121810549 813078222 /nfs/dbraw/zinc/07/82/22/813078222.db2.gz KZGFNCNJNXBQKP-CYBMUJFWSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001121895090 813084137 /nfs/dbraw/zinc/08/41/37/813084137.db2.gz ARGUAYRUSJNWMK-WCQYABFASA-N 2 0 266.389 -0.415 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC1(C[NH3+])CCCC1 ZINC001121895078 813084579 /nfs/dbraw/zinc/08/45/79/813084579.db2.gz AKOKQJNCLDMSMO-VXGBXAGGSA-N 2 0 266.389 -0.238 20 0 CBADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001121895611 813086938 /nfs/dbraw/zinc/08/69/38/813086938.db2.gz DMRFCGVJQXKRJM-BZPMIXESSA-N 2 0 268.405 -0.136 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001121909072 813089182 /nfs/dbraw/zinc/08/91/82/813089182.db2.gz JCZIFTLEWLHREN-GARJFASQSA-N 2 0 255.362 -0.172 20 0 CBADRP C[C@@H](CNC(=O)CNCC[NH3+])C[NH+]1CCCCC1 ZINC001121911243 813089344 /nfs/dbraw/zinc/08/93/44/813089344.db2.gz RNGQPNZOMJTHRM-LBPRGKRZSA-N 2 0 256.394 -0.227 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001121917792 813089640 /nfs/dbraw/zinc/08/96/40/813089640.db2.gz YYXOHNWUDZYDHD-GHMZBOCLSA-N 2 0 255.362 -0.219 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C23CC(C2)C[NH2+]3)C1 ZINC001121921751 813090410 /nfs/dbraw/zinc/09/04/10/813090410.db2.gz UVJMCDHWMUHRIZ-QWKFWESOSA-N 2 0 253.346 -0.425 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001121939426 813092818 /nfs/dbraw/zinc/09/28/18/813092818.db2.gz JHIVEGVGPKWVBT-SGMGOOAPSA-N 2 0 269.389 -0.195 20 0 CBADRP [NH3+]CCNCC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC001121938030 813093119 /nfs/dbraw/zinc/09/31/19/813093119.db2.gz UENSVOOUHMAGGM-CYBMUJFWSA-N 2 0 262.357 -0.462 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001121939424 813093252 /nfs/dbraw/zinc/09/32/52/813093252.db2.gz JHIVEGVGPKWVBT-MBNYWOFBSA-N 2 0 269.389 -0.195 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001121938781 813093565 /nfs/dbraw/zinc/09/35/65/813093565.db2.gz DORPGRXADJMYAP-GFCCVEGCSA-N 2 0 266.389 -0.508 20 0 CBADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CNCC[NH3+] ZINC001121945260 813094873 /nfs/dbraw/zinc/09/48/73/813094873.db2.gz HVRRBFDRIOWJTF-LLVKDONJSA-N 2 0 256.394 -0.277 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1C[NH2+]CCC12CCC2 ZINC001121987825 813100905 /nfs/dbraw/zinc/10/09/05/813100905.db2.gz BIXIUWYJUZZAGA-NWDGAFQWSA-N 2 0 267.373 -0.129 20 0 CBADRP C[C@@H]1C[C@H](C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001121990920 813100967 /nfs/dbraw/zinc/10/09/67/813100967.db2.gz TYRORPYQHJUMHK-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(C(=O)[C@@H]1CCCN(CC[NH3+])C1=O)[C@@H](C[NH3+])C1CC1 ZINC001121986507 813101551 /nfs/dbraw/zinc/10/15/51/813101551.db2.gz IPTMVJWQZRFPIF-RYUDHWBXSA-N 2 0 282.388 -0.621 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001121996784 813102181 /nfs/dbraw/zinc/10/21/81/813102181.db2.gz NOMXGLNXDPBJHZ-CHWSQXEVSA-N 2 0 296.415 -0.358 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001121996785 813102702 /nfs/dbraw/zinc/10/27/02/813102702.db2.gz NOMXGLNXDPBJHZ-OLZOCXBDSA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O)[N@H+](C)C1CC1 ZINC001121996104 813103175 /nfs/dbraw/zinc/10/31/75/813103175.db2.gz BIULJRSGDYPGKF-DGCLKSJQSA-N 2 0 296.415 -0.217 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001122009206 813104048 /nfs/dbraw/zinc/10/40/48/813104048.db2.gz HNFDQCMDHBTARW-QLFBSQMISA-N 2 0 294.443 -0.014 20 0 CBADRP C[C@@H](CCC[NH3+])NC(=O)C[NH+]1CCC(CO)CC1 ZINC001122022931 813106352 /nfs/dbraw/zinc/10/63/52/813106352.db2.gz JQJARCXKSGICJD-NSHDSACASA-N 2 0 257.378 -0.066 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)NCCC1CC[NH2+]CC1 ZINC001122046305 813109053 /nfs/dbraw/zinc/10/90/53/813109053.db2.gz AXTIGEWSXPJILZ-CQSZACIVSA-N 2 0 269.389 -0.003 20 0 CBADRP O=C(CC[C@@H]1CC[NH2+]C1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001122063495 813110612 /nfs/dbraw/zinc/11/06/12/813110612.db2.gz LCNNDUVKCAWJFK-GHMZBOCLSA-N 2 0 253.346 -0.377 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC2CC1(C[NH3+])C2 ZINC001122067716 813111553 /nfs/dbraw/zinc/11/15/53/813111553.db2.gz APWSWOSQVPMVFQ-JJMZSNKZSA-N 2 0 264.373 -0.676 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001122075299 813112826 /nfs/dbraw/zinc/11/28/26/813112826.db2.gz KHMJRSAMRCMJKP-GVXVVHGQSA-N 2 0 255.362 -0.300 20 0 CBADRP C[NH2+]CCc1ccccc1C(=O)NC[C@H](O)C[NH3+] ZINC001122073373 813113344 /nfs/dbraw/zinc/11/33/44/813113344.db2.gz NLMRMTNXKSKGNY-LLVKDONJSA-N 2 0 251.330 -0.502 20 0 CBADRP [NH3+]CC1(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC(O)C1 ZINC001122086772 813115279 /nfs/dbraw/zinc/11/52/79/813115279.db2.gz HZDRIOHWKZOYSL-YZRBJQDESA-N 2 0 253.346 -0.513 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001122089552 813115344 /nfs/dbraw/zinc/11/53/44/813115344.db2.gz LMGODGDDVSVVGT-WOPDTQHZSA-N 2 0 255.362 -0.464 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC001122093574 813115943 /nfs/dbraw/zinc/11/59/43/813115943.db2.gz BDOHLQZSCZPPIW-AUZPSNTRSA-N 2 0 269.389 -0.339 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001122093686 813115991 /nfs/dbraw/zinc/11/59/91/813115991.db2.gz DGHCRSCZLRQLPJ-VXGBXAGGSA-N 2 0 255.362 -0.299 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC001122097265 813116787 /nfs/dbraw/zinc/11/67/87/813116787.db2.gz YKBWQRSYMOILNC-NSHDSACASA-N 2 0 265.313 -0.183 20 0 CBADRP C[C@H]([NH3+])CONC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC001122100057 813116969 /nfs/dbraw/zinc/11/69/69/813116969.db2.gz QVIWRFNGNPNKMI-JGVFFNPUSA-N 2 0 253.306 -0.505 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH3+])CC(O)C3)CC[C@H]21 ZINC001122108363 813119040 /nfs/dbraw/zinc/11/90/40/813119040.db2.gz PJZMHLAYVKDYRY-KTEZZQQRSA-N 2 0 267.373 -0.361 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CNCC[NH3+])C1 ZINC001122136696 813122331 /nfs/dbraw/zinc/12/23/31/813122331.db2.gz OSWISXSZDCGNDT-NSHDSACASA-N 2 0 256.394 -0.229 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001122143144 813123515 /nfs/dbraw/zinc/12/35/15/813123515.db2.gz IDINZOFMLDTHJR-ZJUUUORDSA-N 2 0 253.346 -0.521 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)COC1CC[NH2+]CC1 ZINC001122143685 813124170 /nfs/dbraw/zinc/12/41/70/813124170.db2.gz KJSKUFRWRGEVLP-MNOVXSKESA-N 2 0 255.362 -0.273 20 0 CBADRP O=C(NCCCCCC1CC[NH2+]CC1)C1(O)C[NH2+]C1 ZINC001122151762 813125274 /nfs/dbraw/zinc/12/52/74/813125274.db2.gz YAMPJZUWEFSZRY-UHFFFAOYSA-N 2 0 269.389 -0.003 20 0 CBADRP CC[C@@H](C(=O)N1NC(=O)CC12CC[NH2+]CC2)[NH+](C)C ZINC001122182337 813128680 /nfs/dbraw/zinc/12/86/80/813128680.db2.gz PNWKCZWPQXKZTO-JTQLQIEISA-N 2 0 268.361 -0.288 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCCC[C@@H]1C[NH3+] ZINC001122191042 813130334 /nfs/dbraw/zinc/13/03/34/813130334.db2.gz IFJCNKVFBHLYFH-JHJVBQTASA-N 2 0 266.389 -0.286 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC001122192878 813130439 /nfs/dbraw/zinc/13/04/39/813130439.db2.gz ZONMSHHEITXMMX-FRRDWIJNSA-N 2 0 266.389 -0.510 20 0 CBADRP CC(C)[NH2+]CCC(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001122190044 813130572 /nfs/dbraw/zinc/13/05/72/813130572.db2.gz LZSXBYJWJQDTHA-LBPRGKRZSA-N 2 0 254.334 -0.630 20 0 CBADRP C[NH+](C)CC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001122194296 813132060 /nfs/dbraw/zinc/13/20/60/813132060.db2.gz BSXAVFINBJGRSZ-UHFFFAOYSA-N 2 0 256.394 -0.260 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001122203836 813132936 /nfs/dbraw/zinc/13/29/36/813132936.db2.gz SWTTYGRQIHLPHQ-IACUBPJLSA-N 2 0 267.373 -0.108 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001122203838 813133050 /nfs/dbraw/zinc/13/30/50/813133050.db2.gz SWTTYGRQIHLPHQ-YUTCNCBUSA-N 2 0 267.373 -0.108 20 0 CBADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@@H]1CO ZINC001122208535 813133550 /nfs/dbraw/zinc/13/35/50/813133550.db2.gz OEISBXDWRYFCSU-RRNNCXACSA-N 2 0 253.346 -0.665 20 0 CBADRP CC1(C)[C@H](NC(=O)C[C@H](O)C[NH3+])[C@H]2CCC[NH2+][C@H]21 ZINC001122215652 813134299 /nfs/dbraw/zinc/13/42/99/813134299.db2.gz YQRVGJSPCCILKT-GAIPPQHRSA-N 2 0 255.362 -0.411 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001122241634 813137661 /nfs/dbraw/zinc/13/76/61/813137661.db2.gz QYAGTYIXSWSECW-DGCLKSJQSA-N 2 0 253.346 -0.281 20 0 CBADRP C[C@H]([NH3+])CC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001122282868 813139244 /nfs/dbraw/zinc/13/92/44/813139244.db2.gz SSBAOBUVGASGFK-UWVGGRQHSA-N 2 0 269.345 -0.475 20 0 CBADRP CN(C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21)C1(C[NH3+])CCOCC1 ZINC001122279052 813139669 /nfs/dbraw/zinc/13/96/69/813139669.db2.gz RCWAGVUHWSNYDM-KXNHARMFSA-N 2 0 267.373 -0.064 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001122289517 813140440 /nfs/dbraw/zinc/14/04/40/813140440.db2.gz ZWDDVTJFMHCXGZ-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP O=C([C@H]1[NH2+]CC12CCCC2)N1CCNCC[NH2+]CC1 ZINC001122287919 813140747 /nfs/dbraw/zinc/14/07/47/813140747.db2.gz KQAFSOSTZYDLJM-GFCCVEGCSA-N 2 0 266.389 -0.460 20 0 CBADRP CN1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC[N@H+](C)CC1 ZINC001122290076 813140856 /nfs/dbraw/zinc/14/08/56/813140856.db2.gz AXSHBOKKVXTWGK-CYBMUJFWSA-N 2 0 268.405 -0.180 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H](CC[NH3+])C2)CC[NH2+]C1 ZINC001122294894 813142085 /nfs/dbraw/zinc/14/20/85/813142085.db2.gz ZXBAJUZMFKPZRA-YPMHNXCESA-N 2 0 255.362 -0.190 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC001122301850 813142890 /nfs/dbraw/zinc/14/28/90/813142890.db2.gz NGQHKKXJPGZAEH-KZVDOYCCSA-N 2 0 267.373 -0.179 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001122303681 813142961 /nfs/dbraw/zinc/14/29/61/813142961.db2.gz GUZOYPDBMOZMQU-NEPJUHHUSA-N 2 0 256.394 -0.086 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001122320670 813145910 /nfs/dbraw/zinc/14/59/10/813145910.db2.gz WWSGTQWDPLWUDS-NSHDSACASA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)COC2CC[NH2+]CC2)C1 ZINC001122327694 813147119 /nfs/dbraw/zinc/14/71/19/813147119.db2.gz ZLFKHXNTQMDOJZ-WDEREUQCSA-N 2 0 255.362 -0.001 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001122333432 813147827 /nfs/dbraw/zinc/14/78/27/813147827.db2.gz ZAZVMWQYWHBIRK-NWDGAFQWSA-N 2 0 255.362 -0.225 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC001122419314 813162157 /nfs/dbraw/zinc/16/21/57/813162157.db2.gz ONWFUZHJJSPRDP-RYUDHWBXSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1C[N@H+](C)CCN1C ZINC001122448295 813165200 /nfs/dbraw/zinc/16/52/00/813165200.db2.gz MEZGFYYOSILBMF-FIQHERPVSA-N 2 0 254.378 -0.526 20 0 CBADRP COC(=O)c1cc(N[C@@H]([NH3+])CCC[NH3+])ncc1N ZINC001159783110 815595104 /nfs/dbraw/zinc/59/51/04/815595104.db2.gz BLEQTYUNZOEOPA-SECBINFHSA-N 2 0 253.306 -0.114 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CCC[NH2+]CC1 ZINC001122494605 813170516 /nfs/dbraw/zinc/17/05/16/813170516.db2.gz HLUPRCSZPYYFOW-NWDGAFQWSA-N 2 0 255.362 -0.129 20 0 CBADRP [NH3+][C@H]1C[C@H](NC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)C1 ZINC001122490596 813170714 /nfs/dbraw/zinc/17/07/14/813170714.db2.gz ZDEVBSLADMSDGH-AUTRQRHGSA-N 2 0 252.318 -0.509 20 0 CBADRP NC(=O)[C@H]1CCCN1c1cc(N[C@H]([NH3+])CCC[NH3+])ncn1 ZINC001159790027 815596084 /nfs/dbraw/zinc/59/60/84/815596084.db2.gz ZUZOJCOTCDSDFS-ZJUUUORDSA-N 2 0 293.375 -0.634 20 0 CBADRP CN(C(=O)C[NH2+]C[C@@H]1CCCO1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001122567631 813176667 /nfs/dbraw/zinc/17/66/67/813176667.db2.gz VDOWTAYIFTWRCH-MEWQQHAOSA-N 2 0 253.346 -0.569 20 0 CBADRP C[NH+](C)C1(C(=O)NCCC[NH2+][C@@H]2CCCNC2=O)CCC1 ZINC001159855015 815601416 /nfs/dbraw/zinc/60/14/16/815601416.db2.gz ZWQKGYXVZKEWCR-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP CN1CC[C@H]([NH2+]CCCNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001159861342 815601520 /nfs/dbraw/zinc/60/15/20/815601520.db2.gz NCZWJDMLQCJQMI-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CN1C[C@@H]2CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C[C@@H]2C1=O ZINC001159886553 815602814 /nfs/dbraw/zinc/60/28/14/815602814.db2.gz OCXAFPLTLSPIDJ-WOPDTQHZSA-N 2 0 282.388 -0.621 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C)[NH+](C)C ZINC001123494470 813243015 /nfs/dbraw/zinc/24/30/15/813243015.db2.gz MAYYMZAMIKOEOW-IJLUTSLNSA-N 2 0 254.378 -0.559 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH+]1CCCC1 ZINC001123482108 813243226 /nfs/dbraw/zinc/24/32/26/813243226.db2.gz KASZDJGJPOSRSS-QWHCGFSZSA-N 2 0 266.389 -0.413 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C)[NH+](C)C ZINC001123494471 813243609 /nfs/dbraw/zinc/24/36/09/813243609.db2.gz MAYYMZAMIKOEOW-UTUOFQBUSA-N 2 0 254.378 -0.559 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH+]1CCC1 ZINC001123672375 813258958 /nfs/dbraw/zinc/25/89/58/813258958.db2.gz UUUXKNYDCVCSKW-NEPJUHHUSA-N 2 0 252.362 -0.803 20 0 CBADRP Cn1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)cc1=O ZINC001124836256 813486062 /nfs/dbraw/zinc/48/60/62/813486062.db2.gz DUWFICGWSGQIPP-CYBMUJFWSA-N 2 0 292.383 -0.315 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124838331 813486436 /nfs/dbraw/zinc/48/64/36/813486436.db2.gz WCTPJJSBAKTICR-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124866940 813489424 /nfs/dbraw/zinc/48/94/24/813489424.db2.gz NZZMIHBSHQCGCL-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124872600 813490839 /nfs/dbraw/zinc/49/08/39/813490839.db2.gz LODRMVSCONCQKZ-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CCCC[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001124867407 813491513 /nfs/dbraw/zinc/49/15/13/813491513.db2.gz VNEKPCAUIWAKHI-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124872477 813491526 /nfs/dbraw/zinc/49/15/26/813491526.db2.gz HIOBOGMFYYAAGZ-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001124872953 813491647 /nfs/dbraw/zinc/49/16/47/813491647.db2.gz PTYVWWOIINIAGZ-ZDUSSCGKSA-N 2 0 294.403 -0.305 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124877731 813493769 /nfs/dbraw/zinc/49/37/69/813493769.db2.gz IJZCCNJEYPAQKD-LBPRGKRZSA-N 2 0 284.404 -0.441 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001124873583 813494188 /nfs/dbraw/zinc/49/41/88/813494188.db2.gz ZFHOTOCFYBLFLW-MNOVXSKESA-N 2 0 268.361 -0.935 20 0 CBADRP COc1cncc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001124879528 813494799 /nfs/dbraw/zinc/49/47/99/813494799.db2.gz VPEDAAXPSWAWKH-GFCCVEGCSA-N 2 0 293.371 -0.215 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001127067500 813710335 /nfs/dbraw/zinc/71/03/35/813710335.db2.gz YKYAQOPOSRYFFF-QWRGUYRKSA-N 2 0 270.377 -0.561 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127257355 813722567 /nfs/dbraw/zinc/72/25/67/813722567.db2.gz XVMPCHHYVNWZKY-STQMWFEESA-N 2 0 296.415 -0.297 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127317113 813723745 /nfs/dbraw/zinc/72/37/45/813723745.db2.gz JVCRZABFYHJDMT-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP O=C(NCC[NH2+]CCn1cccn1)[C@H]1C[NH+]2CCC1CC2 ZINC001127470859 813731853 /nfs/dbraw/zinc/73/18/53/813731853.db2.gz NKCXJGLFSBSTMS-AWEZNQCLSA-N 2 0 291.399 -0.069 20 0 CBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NC1CC1 ZINC001127475130 813731951 /nfs/dbraw/zinc/73/19/51/813731951.db2.gz RGKCVHAYYUWORV-CYBMUJFWSA-N 2 0 294.399 -0.687 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127470712 813732131 /nfs/dbraw/zinc/73/21/31/813732131.db2.gz ABIJSAQVLGYOKZ-GFCCVEGCSA-N 2 0 255.362 -0.320 20 0 CBADRP Cn1nccc1C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475127 813732604 /nfs/dbraw/zinc/73/26/04/813732604.db2.gz RFPHPDKDUNOWPS-CQSZACIVSA-N 2 0 291.399 -0.032 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)N(C)C ZINC001127481126 813733278 /nfs/dbraw/zinc/73/32/78/813733278.db2.gz PVKRVFJWZXNWAF-AAEUAGOBSA-N 2 0 296.415 -0.489 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475615 813734133 /nfs/dbraw/zinc/73/41/33/813734133.db2.gz WZTPNIBBVRRHOI-ZDUSSCGKSA-N 2 0 292.387 -0.637 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@H]2CCCN(C)C2=O)CC[N@@H+]1C ZINC001127637933 813738760 /nfs/dbraw/zinc/73/87/60/813738760.db2.gz CMJKIELJAAIBAP-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127638802 813738843 /nfs/dbraw/zinc/73/88/43/813738843.db2.gz QSHWBENUGYZTCG-GRYCIOLGSA-N 2 0 273.377 -0.960 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC001127643697 813738953 /nfs/dbraw/zinc/73/89/53/813738953.db2.gz HINRMWNEDDVOQJ-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC001127643698 813739689 /nfs/dbraw/zinc/73/96/89/813739689.db2.gz HINRMWNEDDVOQJ-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127690985 813740980 /nfs/dbraw/zinc/74/09/80/813740980.db2.gz VMZPWUWAUZIMJM-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)C)CC[N@@H+]1C ZINC001127695473 813741791 /nfs/dbraw/zinc/74/17/91/813741791.db2.gz NDHIENQWLQCGHD-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC)CC[N@@H+]1C ZINC001127701069 813741832 /nfs/dbraw/zinc/74/18/32/813741832.db2.gz GUCBDIBCAUCTOL-GRYCIOLGSA-N 2 0 284.404 -0.443 20 0 CBADRP COCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127766306 813747032 /nfs/dbraw/zinc/74/70/32/813747032.db2.gz SUYLUYTWYVQKAJ-STQMWFEESA-N 2 0 285.388 -0.408 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]C[C@@H](C)O ZINC001128533753 813778958 /nfs/dbraw/zinc/77/89/58/813778958.db2.gz RHDDTQSCMRIBFU-GHMZBOCLSA-N 2 0 263.357 -0.247 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001128533619 813779988 /nfs/dbraw/zinc/77/99/88/813779988.db2.gz PBWFMHZEZUTVTO-WDEREUQCSA-N 2 0 290.383 -0.493 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001128533194 813780249 /nfs/dbraw/zinc/78/02/49/813780249.db2.gz IRSBRQWUCBHPLN-MNOVXSKESA-N 2 0 288.367 -0.739 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001128773926 813797359 /nfs/dbraw/zinc/79/73/59/813797359.db2.gz IYCRFRKPBROXIT-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001128778735 813798530 /nfs/dbraw/zinc/79/85/30/813798530.db2.gz LEJYNUOOCHKRDO-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCCO ZINC001128787246 813799212 /nfs/dbraw/zinc/79/92/12/813799212.db2.gz XRTKJFZMTDFADV-GFCCVEGCSA-N 2 0 257.378 -0.051 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001128779752 813799482 /nfs/dbraw/zinc/79/94/82/813799482.db2.gz XOUBSLTWFUDZKT-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001128783876 813800163 /nfs/dbraw/zinc/80/01/63/813800163.db2.gz JLDXVUUHCCJBFP-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1CN(CC)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129072335 813815375 /nfs/dbraw/zinc/81/53/75/813815375.db2.gz ZRQCXGYDOMCDGO-UPJWGTAASA-N 2 0 294.403 -0.020 20 0 CBADRP CN(C(=O)C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001129351687 813835992 /nfs/dbraw/zinc/83/59/92/813835992.db2.gz MPTQYJDVCWJWEJ-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001129340132 813836615 /nfs/dbraw/zinc/83/66/15/813836615.db2.gz KXYBWRPAPQTGHW-LLVKDONJSA-N 2 0 270.377 -0.845 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001129341805 813836841 /nfs/dbraw/zinc/83/68/41/813836841.db2.gz ZQMUBAHYZPVPAB-OLZOCXBDSA-N 2 0 296.415 -0.441 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001129340134 813836956 /nfs/dbraw/zinc/83/69/56/813836956.db2.gz KXYBWRPAPQTGHW-NSHDSACASA-N 2 0 270.377 -0.845 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129362733 813838657 /nfs/dbraw/zinc/83/86/57/813838657.db2.gz CGIJPJGEVOKSOU-CYBMUJFWSA-N 2 0 285.388 -0.672 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129437043 813843055 /nfs/dbraw/zinc/84/30/55/813843055.db2.gz VBRTYLZDURKAKB-GFCCVEGCSA-N 2 0 280.376 -0.639 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129437044 813844087 /nfs/dbraw/zinc/84/40/87/813844087.db2.gz VBRTYLZDURKAKB-LBPRGKRZSA-N 2 0 280.376 -0.639 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129437336 813844298 /nfs/dbraw/zinc/84/42/98/813844298.db2.gz ZDSJGVBEPJLGII-CYBMUJFWSA-N 2 0 287.404 -0.305 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1=O ZINC001129443331 813844486 /nfs/dbraw/zinc/84/44/86/813844486.db2.gz IXQNNHHPQUHHKX-STQMWFEESA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129444659 813845160 /nfs/dbraw/zinc/84/51/60/813845160.db2.gz WTHLIPMSBQHMRY-AWEZNQCLSA-N 2 0 298.431 -0.195 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129450372 813846144 /nfs/dbraw/zinc/84/61/44/813846144.db2.gz ZMFAJXOCJCERSZ-WCQYABFASA-N 2 0 298.431 -0.053 20 0 CBADRP C[N@H+](CC(=O)NCC[NH2+]CCn1cncn1)C1CCC1 ZINC001129535691 813848427 /nfs/dbraw/zinc/84/84/27/813848427.db2.gz YFAHEPOQPTYURT-UHFFFAOYSA-N 2 0 280.376 -0.532 20 0 CBADRP C[N@H+](CC(=O)NCC[NH2+][C@H]1CCCNC1=O)C1CCC1 ZINC001129532214 813849847 /nfs/dbraw/zinc/84/98/47/813849847.db2.gz VJCJTKBBVVXCOH-LBPRGKRZSA-N 2 0 282.388 -0.545 20 0 CBADRP CN1CCC[C@@H]([NH2+]CCNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001129532356 813850698 /nfs/dbraw/zinc/85/06/98/813850698.db2.gz YZSKYYARGRGPKM-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](O)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129840742 813869782 /nfs/dbraw/zinc/86/97/82/813869782.db2.gz IRDRVLIZPHXNHO-NWDGAFQWSA-N 2 0 257.378 -0.053 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129854972 813870083 /nfs/dbraw/zinc/87/00/83/813870083.db2.gz ANRFFVYTIMPLFM-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CCn1cncn1 ZINC001129840052 813870488 /nfs/dbraw/zinc/87/04/88/813870488.db2.gz FEXBXEXMPUNDHG-ZDUSSCGKSA-N 2 0 294.403 -0.142 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001129854975 813870550 /nfs/dbraw/zinc/87/05/50/813870550.db2.gz AQIZYGLXUVNGMT-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001129849462 813870705 /nfs/dbraw/zinc/87/07/05/813870705.db2.gz GFWPSKZCKVRGPI-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@H](O)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129840743 813870973 /nfs/dbraw/zinc/87/09/73/813870973.db2.gz IRDRVLIZPHXNHO-RYUDHWBXSA-N 2 0 257.378 -0.053 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001129842032 813871303 /nfs/dbraw/zinc/87/13/03/813871303.db2.gz RZAZYBZEOXHFHO-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CCn1cncn1)[NH+](C)C ZINC001129949660 813882482 /nfs/dbraw/zinc/88/24/82/813882482.db2.gz HGTGZSYYZMPVNJ-LBPRGKRZSA-N 2 0 282.392 -0.430 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)C1CC1)[NH+](C)C ZINC001129947373 813883401 /nfs/dbraw/zinc/88/34/01/813883401.db2.gz XAQSTLXIARDQBI-AWEZNQCLSA-N 2 0 298.431 -0.101 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001130197412 813916427 /nfs/dbraw/zinc/91/64/27/813916427.db2.gz ICAUQDHDAZNTAC-LLVKDONJSA-N 2 0 272.393 -0.441 20 0 CBADRP CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130075156 813905114 /nfs/dbraw/zinc/90/51/14/813905114.db2.gz OUKOBKOKHJSYJC-OLZOCXBDSA-N 2 0 294.403 -0.019 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130169858 813913206 /nfs/dbraw/zinc/91/32/06/813913206.db2.gz HUQDSNYDIIBTAH-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)Nc1ccon1)[NH+](C)C ZINC001130200833 813916255 /nfs/dbraw/zinc/91/62/55/813916255.db2.gz OKQOBQRYWZKVBI-SNVBAGLBSA-N 2 0 297.359 -0.341 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CCn1cccn1)[NH+](C)C ZINC001130200002 813916283 /nfs/dbraw/zinc/91/62/83/813916283.db2.gz ASBYLKCEIIMGDZ-GFCCVEGCSA-N 2 0 267.377 -0.071 20 0 CBADRP O=C(NCC[NH2+]CCOCCO)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130189105 813916292 /nfs/dbraw/zinc/91/62/92/813916292.db2.gz NFLHAQZOQIMVGX-ZIAGYGMSSA-N 2 0 299.415 -0.282 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]Cc1cnnn1CC)[NH+](C)C ZINC001130197407 813916631 /nfs/dbraw/zinc/91/66/31/813916631.db2.gz HTFSKKFYCRFAHF-GFCCVEGCSA-N 2 0 282.392 -0.156 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CCn1nc(C)nc1C)[NH+](C)C ZINC001130203339 813918700 /nfs/dbraw/zinc/91/87/00/813918700.db2.gz JIKGAHUETKQPKQ-CYBMUJFWSA-N 2 0 296.419 -0.059 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130297252 813922825 /nfs/dbraw/zinc/92/28/25/813922825.db2.gz JKZKMYHVHWQVQW-ZDUSSCGKSA-N 2 0 287.404 -0.161 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001130304028 813923947 /nfs/dbraw/zinc/92/39/47/813923947.db2.gz QRQLZCIEMQOFHS-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130297644 813924871 /nfs/dbraw/zinc/92/48/71/813924871.db2.gz OELMTMLXJOLMEQ-CYBMUJFWSA-N 2 0 294.403 -0.012 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130297771 813925410 /nfs/dbraw/zinc/92/54/10/813925410.db2.gz QXDSTTKGFXIFJV-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC001130304020 813925809 /nfs/dbraw/zinc/92/58/09/813925809.db2.gz QLWZOJSXTNWFQR-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001130425283 813938193 /nfs/dbraw/zinc/93/81/93/813938193.db2.gz RMEOEIZQHPLION-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001130418952 813938355 /nfs/dbraw/zinc/93/83/55/813938355.db2.gz DIVKGWDSYILIGF-UHFFFAOYSA-N 2 0 272.393 -0.489 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001130421813 813939257 /nfs/dbraw/zinc/93/92/57/813939257.db2.gz KBZDBKQVXZGKNE-JTQLQIEISA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@H](O)C[NH2+]CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130558959 813953867 /nfs/dbraw/zinc/95/38/67/813953867.db2.gz WVOQVJQBZLFXLS-LBPRGKRZSA-N 2 0 280.372 -0.006 20 0 CBADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]CC(N)=O ZINC001130618046 813956791 /nfs/dbraw/zinc/95/67/91/813956791.db2.gz QNVXDLBECWZPHM-UHFFFAOYSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001130709213 813967893 /nfs/dbraw/zinc/96/78/93/813967893.db2.gz XFYAMXSYHANVFI-RYUDHWBXSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001130711447 813968322 /nfs/dbraw/zinc/96/83/22/813968322.db2.gz VPCWEGCZFQRMBG-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130713519 813969534 /nfs/dbraw/zinc/96/95/34/813969534.db2.gz RCPVKWAWTMCSPZ-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130713520 813970520 /nfs/dbraw/zinc/97/05/20/813970520.db2.gz RCPVKWAWTMCSPZ-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001130810366 813983457 /nfs/dbraw/zinc/98/34/57/813983457.db2.gz SULIFZGFYCKVLA-NSHDSACASA-N 2 0 282.388 -0.416 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130805725 813984442 /nfs/dbraw/zinc/98/44/42/813984442.db2.gz KAFCVMOBFZUTRN-UHFFFAOYSA-N 2 0 282.388 -0.591 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130874666 813990138 /nfs/dbraw/zinc/99/01/38/813990138.db2.gz JAWOVKXQDUKZPS-SNVBAGLBSA-N 2 0 289.339 -0.212 20 0 CBADRP C[C@H](O)C[NH2+]CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196383 814012234 /nfs/dbraw/zinc/01/22/34/814012234.db2.gz DFYHLIBDIHLDIB-NSHDSACASA-N 2 0 289.339 -0.033 20 0 CBADRP O=C(NCC[NH2+]CCCF)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519655 814036730 /nfs/dbraw/zinc/03/67/30/814036730.db2.gz IRKPZSZPSLNXSD-MBHSVXNSSA-N 2 0 285.363 -0.085 20 0 CBADRP CO[C@@H](C)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520233 814036795 /nfs/dbraw/zinc/03/67/95/814036795.db2.gz VOGAGUHAPIEIMD-OYNVLQORSA-N 2 0 297.399 -0.410 20 0 CBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@]2(CC[N@H+](CCO)C2)O1 ZINC001131682396 814053810 /nfs/dbraw/zinc/05/38/10/814053810.db2.gz OQKFBVSYQJDSIU-ZFWWWQNUSA-N 2 0 299.415 -0.378 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790342 814069438 /nfs/dbraw/zinc/06/94/38/814069438.db2.gz LSKYLOLVFCRZKX-YPMHNXCESA-N 2 0 269.389 -0.053 20 0 CBADRP O=C(NCC[NH2+][C@@H]1CCNC1=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790541 814069736 /nfs/dbraw/zinc/06/97/36/814069736.db2.gz PCJSOJOOIKYWIY-CHWSQXEVSA-N 2 0 294.399 -0.545 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790815 814070140 /nfs/dbraw/zinc/07/01/40/814070140.db2.gz WIFGWLJETAZTOO-AWEZNQCLSA-N 2 0 296.415 -0.297 20 0 CBADRP O=C(NCC[NH2+]CCOCCO)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131789909 814070209 /nfs/dbraw/zinc/07/02/09/814070209.db2.gz ARRBASFAEXEARA-AWEZNQCLSA-N 2 0 299.415 -0.425 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CCO ZINC001132279411 814120936 /nfs/dbraw/zinc/12/09/36/814120936.db2.gz WSQBZLGGYDHRGA-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP CC(C)(C(=O)NCC[NH2+]CCOCCO)[NH+]1CCCC1 ZINC001132283670 814120996 /nfs/dbraw/zinc/12/09/96/814120996.db2.gz CAQCAHQRGKSEBN-UHFFFAOYSA-N 2 0 287.404 -0.425 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CCO ZINC001132279405 814121014 /nfs/dbraw/zinc/12/10/14/814121014.db2.gz WSQBZLGGYDHRGA-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H](O)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132284087 814122322 /nfs/dbraw/zinc/12/23/22/814122322.db2.gz VNUHSOWNKPTYAE-NSHDSACASA-N 2 0 257.378 -0.053 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001132736470 814182480 /nfs/dbraw/zinc/18/24/80/814182480.db2.gz APVVHWSXLVNKGS-LLVKDONJSA-N 2 0 270.377 -0.701 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC)C1 ZINC001132736948 814183112 /nfs/dbraw/zinc/18/31/12/814183112.db2.gz GSIRPEPETNWGGM-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC)C1 ZINC001132738393 814183250 /nfs/dbraw/zinc/18/32/50/814183250.db2.gz BJAAKNFEKYMQDX-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP COCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848832 814193967 /nfs/dbraw/zinc/19/39/67/814193967.db2.gz TVBNYVDBRSDTJG-ZDUSSCGKSA-N 2 0 287.404 -0.162 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886593 814197958 /nfs/dbraw/zinc/19/79/58/814197958.db2.gz OMYUDSFAHNVGRJ-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC(=O)NCC2CC2)CC1 ZINC001132993429 814206100 /nfs/dbraw/zinc/20/61/00/814206100.db2.gz TXSROCOLQKIWLF-UHFFFAOYSA-N 2 0 296.415 -0.440 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993480 814206612 /nfs/dbraw/zinc/20/66/12/814206612.db2.gz WEQBMSNCKDHGBN-UHFFFAOYSA-N 2 0 284.404 -0.488 20 0 CBADRP C[NH+](C)CCCC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001133051780 814212003 /nfs/dbraw/zinc/21/20/03/814212003.db2.gz OHPIUXQNDSOPBB-UHFFFAOYSA-N 2 0 298.387 -0.817 20 0 CBADRP C[NH+](C)CCCC(=O)NCC[NH2+]CCN1CCCC1=O ZINC001133051690 814212372 /nfs/dbraw/zinc/21/23/72/814212372.db2.gz LGTOMEMOXOOTNT-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP C[NH+](C)CCCC(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001133040326 814212935 /nfs/dbraw/zinc/21/29/35/814212935.db2.gz LQZCWTMGLHCOQD-UHFFFAOYSA-N 2 0 286.420 -0.051 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001133190212 814226791 /nfs/dbraw/zinc/22/67/91/814226791.db2.gz FLXYWNQIIGELMT-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001133190213 814226883 /nfs/dbraw/zinc/22/68/83/814226883.db2.gz FLXYWNQIIGELMT-OLZOCXBDSA-N 2 0 298.431 -0.112 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001133224781 814232060 /nfs/dbraw/zinc/23/20/60/814232060.db2.gz DVQJOBALEWTGKP-QWHCGFSZSA-N 2 0 298.431 -0.112 20 0 CBADRP CN(C(=O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001133285957 814235263 /nfs/dbraw/zinc/23/52/63/814235263.db2.gz PQEHOIDVUSKNGW-UHFFFAOYSA-N 2 0 296.415 -0.345 20 0 CBADRP Cc1nccnc1C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133287645 814235567 /nfs/dbraw/zinc/23/55/67/814235567.db2.gz KPSYZCVDWKLZNK-UHFFFAOYSA-N 2 0 265.361 -0.057 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133287304 814235597 /nfs/dbraw/zinc/23/55/97/814235597.db2.gz GSKGERRPQHNLBD-LBPRGKRZSA-N 2 0 273.377 -0.959 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001133281582 814235896 /nfs/dbraw/zinc/23/58/96/814235896.db2.gz CXVFIRUEYJTCEF-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285617 814236259 /nfs/dbraw/zinc/23/62/59/814236259.db2.gz ACPBRVCLPGWHMX-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285967 814236538 /nfs/dbraw/zinc/23/65/38/814236538.db2.gz QKHANESWWGGZNS-UHFFFAOYSA-N 2 0 284.404 -0.488 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+]CCOCCO)[NH+](C)C ZINC001133419002 814252555 /nfs/dbraw/zinc/25/25/55/814252555.db2.gz IEXKXRHSWSXRHO-GFCCVEGCSA-N 2 0 275.393 -0.713 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)C(N)=O ZINC001133820042 814299121 /nfs/dbraw/zinc/29/91/21/814299121.db2.gz WMALJEYZARSTDB-NXEZZACHSA-N 2 0 256.350 -0.950 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)C(N)=O ZINC001133820044 814299785 /nfs/dbraw/zinc/29/97/85/814299785.db2.gz WMALJEYZARSTDB-VHSXEESVSA-N 2 0 256.350 -0.950 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001133820034 814300833 /nfs/dbraw/zinc/30/08/33/814300833.db2.gz WBLRYJDXTRTTJR-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001133833708 814301375 /nfs/dbraw/zinc/30/13/75/814301375.db2.gz CVMVTMBYWHPYPC-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001133820152 814303610 /nfs/dbraw/zinc/30/36/10/814303610.db2.gz ZXJLJMKQMLMVSX-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001133845511 814306744 /nfs/dbraw/zinc/30/67/44/814306744.db2.gz HPYNFSAJQJATOG-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845980 814306894 /nfs/dbraw/zinc/30/68/94/814306894.db2.gz RFUQXVQKSSKIRX-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001133845863 814306929 /nfs/dbraw/zinc/30/69/29/814306929.db2.gz OXFNZMQTNNIKBY-LBPRGKRZSA-N 2 0 297.403 -0.941 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845474 814307817 /nfs/dbraw/zinc/30/78/17/814307817.db2.gz GZCNVLGICRBHSQ-CYBMUJFWSA-N 2 0 298.431 -0.194 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001133849730 814308021 /nfs/dbraw/zinc/30/80/21/814308021.db2.gz COWYZOGESBBCIU-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001133850877 814308964 /nfs/dbraw/zinc/30/89/64/814308964.db2.gz QGMVAWLTJNGRJC-ZDUSSCGKSA-N 2 0 288.367 -0.610 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(N)=O ZINC001133845741 814309484 /nfs/dbraw/zinc/30/94/84/814309484.db2.gz MMYIZTWVTVPFGJ-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCc1ccnn1C ZINC001133862330 814311804 /nfs/dbraw/zinc/31/18/04/814311804.db2.gz CORSBCZGLLIIHH-OCCSQVGLSA-N 2 0 293.415 -0.134 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2cncn2C)C1 ZINC001133853693 814312096 /nfs/dbraw/zinc/31/20/96/814312096.db2.gz OTINUWSJHQTOSA-GFCCVEGCSA-N 2 0 279.388 -0.032 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133862058 814312495 /nfs/dbraw/zinc/31/24/95/814312495.db2.gz AJHLYIKVXDGELW-QWHCGFSZSA-N 2 0 287.404 -0.447 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133873288 814316609 /nfs/dbraw/zinc/31/66/09/814316609.db2.gz UAUFTGNDBNQCPJ-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133870151 814318270 /nfs/dbraw/zinc/31/82/70/814318270.db2.gz QQJVFFQQVUNCPB-WDEREUQCSA-N 2 0 270.377 -0.974 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cnnn1C ZINC001133870437 814318984 /nfs/dbraw/zinc/31/89/84/814318984.db2.gz UAEMDSDSHKPZQQ-ZYHUDNBSSA-N 2 0 280.376 -0.781 20 0 CBADRP C[N@H+](CC(=O)NCC[NH2+][C@@H]1CCCNC1=O)CC(C)(C)C ZINC001133899396 814319345 /nfs/dbraw/zinc/31/93/45/814319345.db2.gz FTKZXVLXVLNBDV-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133908041 814322085 /nfs/dbraw/zinc/32/20/85/814322085.db2.gz FBSKKGSVWRETRK-NSHDSACASA-N 2 0 286.420 -0.195 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CCOCCOC)[NH+](C)C ZINC001133962065 814330004 /nfs/dbraw/zinc/33/00/04/814330004.db2.gz BLETYYOFUYFCRJ-LBPRGKRZSA-N 2 0 275.393 -0.305 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C1CC1)[NH+](C)C ZINC001133968544 814330328 /nfs/dbraw/zinc/33/03/28/814330328.db2.gz YQYZDHWDYJGISZ-AAEUAGOBSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21)[NH+](C)C ZINC001133966189 814330998 /nfs/dbraw/zinc/33/09/98/814330998.db2.gz WXBXLSKZTHOPJN-NEPJUHHUSA-N 2 0 294.403 -0.189 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CCn1cccn1)[NH+](C)C ZINC001133965602 814331188 /nfs/dbraw/zinc/33/11/88/814331188.db2.gz ASBYLKCEIIMGDZ-LBPRGKRZSA-N 2 0 267.377 -0.071 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C ZINC001133965826 814331527 /nfs/dbraw/zinc/33/15/27/814331527.db2.gz LJHMLWGSWSWXTB-QWRGUYRKSA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001134613062 814398879 /nfs/dbraw/zinc/39/88/79/814398879.db2.gz RWMVQNPKAJSHIB-GHMZBOCLSA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001134762777 814411491 /nfs/dbraw/zinc/41/14/91/814411491.db2.gz GCTVELXUCISBFJ-QWHCGFSZSA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001134759535 814411903 /nfs/dbraw/zinc/41/19/03/814411903.db2.gz SARPXLFWESWGAM-LBPRGKRZSA-N 2 0 284.404 -0.299 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001134780331 814413320 /nfs/dbraw/zinc/41/33/20/814413320.db2.gz AXRHACFIHBULDW-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](O)C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780818 814413387 /nfs/dbraw/zinc/41/33/87/814413387.db2.gz XNICYNJAYPOEAF-NSHDSACASA-N 2 0 257.378 -0.195 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135095684 814436877 /nfs/dbraw/zinc/43/68/77/814436877.db2.gz NTGKYQHXKBCFOO-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP O=C(NCC[NH2+]CCOCCO)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135095679 814437542 /nfs/dbraw/zinc/43/75/42/814437542.db2.gz NRFAORRSGDXSRJ-UONOGXRCSA-N 2 0 299.415 -0.282 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135309611 814460767 /nfs/dbraw/zinc/46/07/67/814460767.db2.gz ZRWKEHLDUNKDKM-VXGBXAGGSA-N 2 0 286.420 -0.053 20 0 CBADRP Cn1cnnc1C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159917455 815605070 /nfs/dbraw/zinc/60/50/70/815605070.db2.gz WVLSGSFXHUMGJO-CYBMUJFWSA-N 2 0 294.403 -0.249 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C)C(N)=O ZINC001159931611 815605744 /nfs/dbraw/zinc/60/57/44/815605744.db2.gz GTTXOLUTOQNUGQ-VXGBXAGGSA-N 2 0 284.404 -0.314 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997570 815605755 /nfs/dbraw/zinc/60/57/55/815605755.db2.gz SFFQLEQHFBNMMM-ZDUSSCGKSA-N 2 0 287.404 -0.426 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159932555 815606060 /nfs/dbraw/zinc/60/60/60/815606060.db2.gz RUOXUZQDXZSWFV-PWSUYJOCSA-N 2 0 284.404 -0.443 20 0 CBADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001159929334 815606332 /nfs/dbraw/zinc/60/63/32/815606332.db2.gz CLYPXQQSJOBURE-XDQVBPFNSA-N 2 0 280.416 -0.040 20 0 CBADRP C[C@H](C[C@@H](C)[NH2+]Cc1nnnn1C)NC(=O)CC[NH+](C)C ZINC001135372118 814470203 /nfs/dbraw/zinc/47/02/03/814470203.db2.gz NIFHEHMXIQKGFS-GHMZBOCLSA-N 2 0 297.407 -0.465 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135372864 814470862 /nfs/dbraw/zinc/47/08/62/814470862.db2.gz UAOUYKGOQJTIJP-WDEREUQCSA-N 2 0 272.393 -0.443 20 0 CBADRP C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001135392306 814472350 /nfs/dbraw/zinc/47/23/50/814472350.db2.gz ZKGVKIQYEDEOOG-GHMZBOCLSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+][C@H]1CCNC1=O)C(C)C ZINC001135477991 814477510 /nfs/dbraw/zinc/47/75/10/814477510.db2.gz SMSQDMTWKGGPCK-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]CC(N)=O)C(C)C ZINC001135477823 814477641 /nfs/dbraw/zinc/47/76/41/814477641.db2.gz PUYBRXPWLRSGOS-LBPRGKRZSA-N 2 0 272.393 -0.456 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CCn1cccn1 ZINC001135510798 814479763 /nfs/dbraw/zinc/47/97/63/814479763.db2.gz FRXFSHLRRDBTBO-UHFFFAOYSA-N 2 0 267.377 -0.069 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001135511669 814481272 /nfs/dbraw/zinc/48/12/72/814481272.db2.gz YEJBRCJNHDTMIX-UHFFFAOYSA-N 2 0 285.392 -0.941 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001135510902 814481431 /nfs/dbraw/zinc/48/14/31/814481431.db2.gz IAHWEAIANLNZIS-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CCn1nc(C)nc1C ZINC001135511136 814481502 /nfs/dbraw/zinc/48/15/02/814481502.db2.gz JSTYCUNJDOELNX-UHFFFAOYSA-N 2 0 296.419 -0.057 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156968 815611501 /nfs/dbraw/zinc/61/15/01/815611501.db2.gz RAMYVYABAUORAB-RWMBFGLXSA-N 2 0 283.372 -0.982 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160157052 815612158 /nfs/dbraw/zinc/61/21/58/815612158.db2.gz UOJNLWDAJLHTGS-JLLWLGSASA-N 2 0 253.346 -0.345 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]CC(N)=O ZINC001160274506 815614606 /nfs/dbraw/zinc/61/46/06/815614606.db2.gz USMCPWOUDFSJKF-NSHDSACASA-N 2 0 270.377 -0.558 20 0 CBADRP CC1CC[NH+](CC(=O)NCC[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001135688478 814511683 /nfs/dbraw/zinc/51/16/83/814511683.db2.gz RUSHKCUJXHUEJT-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H](O)C[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135688449 814512076 /nfs/dbraw/zinc/51/20/76/814512076.db2.gz QMDUEIDQWNFFLT-LBPRGKRZSA-N 2 0 257.378 -0.195 20 0 CBADRP CC1CC[NH+](CC(=O)NCC[NH2+]CC(=O)N2CCC2)CC1 ZINC001135706917 814512960 /nfs/dbraw/zinc/51/29/60/814512960.db2.gz MHXINXHGKLUFKL-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135706846 814513878 /nfs/dbraw/zinc/51/38/78/814513878.db2.gz IFKIMVUESDCFMO-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001160427428 815619227 /nfs/dbraw/zinc/61/92/27/815619227.db2.gz RELQQBQIUPKGSD-QWRGUYRKSA-N 2 0 272.393 -0.458 20 0 CBADRP C[C@@H](C[C@H](C)[NH2+]CCCO)NC(=O)COCC[NH+](C)C ZINC001135922936 814539655 /nfs/dbraw/zinc/53/96/55/814539655.db2.gz DIKODHDQTNRVIS-STQMWFEESA-N 2 0 289.420 -0.180 20 0 CBADRP C[C@H](C[C@@H](C)[NH2+]CCO)NC(=O)COCC[NH+](C)C ZINC001135928543 814539738 /nfs/dbraw/zinc/53/97/38/814539738.db2.gz XZFDVYNLXBTOOK-VXGBXAGGSA-N 2 0 275.393 -0.570 20 0 CBADRP Cc1cnn(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])c1 ZINC001142175934 814700217 /nfs/dbraw/zinc/70/02/17/814700217.db2.gz ZBOBYAOSCHEJDB-UHFFFAOYSA-N 2 0 252.322 -0.348 20 0 CBADRP N=C(N)N(CCCC[NH3+])C(=O)C(=O)c1ccco1 ZINC001142288244 814706693 /nfs/dbraw/zinc/70/66/93/814706693.db2.gz ZSOPCDIYGSDYOU-UHFFFAOYSA-N 2 0 252.274 -0.077 20 0 CBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CC[NH2+]3)CC[C@@H]2C1 ZINC001159634843 815582383 /nfs/dbraw/zinc/58/23/83/815582383.db2.gz FKOOVDZIKILYLV-HZSPNIEDSA-N 2 0 297.399 -0.456 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@@H]1Nc1ncnc2c1CC[NH2+]CC2 ZINC001159671206 815583609 /nfs/dbraw/zinc/58/36/09/815583609.db2.gz IOXUBWVIPCYQDQ-CABZTGNLSA-N 2 0 263.345 -0.843 20 0 CBADRP C[NH+]1CC(C(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)C1 ZINC001142595473 814723298 /nfs/dbraw/zinc/72/32/98/814723298.db2.gz AGEXSIBSQOLWTO-CYBMUJFWSA-N 2 0 267.373 -0.129 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@@H]1Nc1nc(Cl)nc2c1CC[NH2+]C2 ZINC001159673016 815584590 /nfs/dbraw/zinc/58/45/90/815584590.db2.gz UJUPZUORRNHYBT-CBAPKCEASA-N 2 0 283.763 -0.232 20 0 CBADRP [NH3+]C1CCN(c2ccnc(N[C@@H]3C[NH2+]C[C@H]3CO)n2)CC1 ZINC001159679613 815587254 /nfs/dbraw/zinc/58/72/54/815587254.db2.gz USBQNLWLZQKYNQ-CMPLNLGQSA-N 2 0 292.387 -0.604 20 0 CBADRP OC[C@H]1C[NH2+]C[C@H]1Nc1nccc(C2CC[NH2+]CC2)n1 ZINC001159677764 815587386 /nfs/dbraw/zinc/58/73/86/815587386.db2.gz LXYHXSHHMDWOER-DGCLKSJQSA-N 2 0 277.372 -0.064 20 0 CBADRP C[NH+]1CCN(CCC(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC001143230799 814764679 /nfs/dbraw/zinc/76/46/79/814764679.db2.gz FMIXNNOBOFYOAU-UHFFFAOYSA-N 2 0 280.416 -0.070 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)CC[NH+]1CCN(C)CC1 ZINC001143236750 814765011 /nfs/dbraw/zinc/76/50/11/814765011.db2.gz SUVOMCNLVYBXHS-LBPRGKRZSA-N 2 0 256.394 -0.310 20 0 CBADRP CN1CC[NH+](CCC(=O)NC[C@@H]2CC[N@H+](C)C2)CC1 ZINC001143238038 814766041 /nfs/dbraw/zinc/76/60/41/814766041.db2.gz VTIOCMXPKDOBBV-ZDUSSCGKSA-N 2 0 268.405 -0.308 20 0 CBADRP Cc1cnc(N[C@H]2C[NH2+]C[C@H]2CO)nc1C1C[NH2+]C1 ZINC001159683440 815589308 /nfs/dbraw/zinc/58/93/08/815589308.db2.gz TVHMCZBFJZPION-QWRGUYRKSA-N 2 0 263.345 -0.536 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C(=O)N(C)C ZINC001143285707 814768253 /nfs/dbraw/zinc/76/82/53/814768253.db2.gz XGSRZEOOTIWYBT-UHFFFAOYSA-N 2 0 257.338 -0.862 20 0 CBADRP CN(CC(=O)n1ccc([C@H]2CCC[NH2+]2)nc1=N)C(N)=[NH2+] ZINC001144132242 814773291 /nfs/dbraw/zinc/77/32/91/814773291.db2.gz KONOYBZXQRXAEE-MRVPVSSYSA-N 2 0 277.332 -0.747 20 0 CBADRP CN(CC(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1)C(N)=[NH2+] ZINC001144136336 814773292 /nfs/dbraw/zinc/77/32/92/814773292.db2.gz IPFVCMAFBUYCHX-NSHDSACASA-N 2 0 283.376 -0.865 20 0 CBADRP Cc1c[nH+]ccc1N1CCN(C(=O)CN(C)C(N)=[NH2+])CC1 ZINC001144136940 814773363 /nfs/dbraw/zinc/77/33/63/814773363.db2.gz NCGNHNSBLKFEGU-UHFFFAOYSA-N 2 0 290.371 -0.136 20 0 CBADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C(N)=[NH2+])C1 ZINC001144135956 814773421 /nfs/dbraw/zinc/77/34/21/814773421.db2.gz HLIDSOUPJCTXEC-SNVBAGLBSA-N 2 0 255.366 -0.247 20 0 CBADRP Cc1cnc(N[C@@H]2C[NH2+]C[C@@H]2CO)nc1C1C[NH2+]C1 ZINC001159683438 815588864 /nfs/dbraw/zinc/58/88/64/815588864.db2.gz TVHMCZBFJZPION-GHMZBOCLSA-N 2 0 263.345 -0.536 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001146595282 814841316 /nfs/dbraw/zinc/84/13/16/814841316.db2.gz YFEWQFUSQVUCRO-MNOVXSKESA-N 2 0 272.393 -0.315 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)CC[N@H+](C)CC)C1=O ZINC001146710227 814843598 /nfs/dbraw/zinc/84/35/98/814843598.db2.gz GQKZDNMACXYAHL-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001146710766 814844161 /nfs/dbraw/zinc/84/41/61/814844161.db2.gz MWLQWQBQCZWCQV-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146718437 814845265 /nfs/dbraw/zinc/84/52/65/814845265.db2.gz BCZLJMVIJRIIAR-UHFFFAOYSA-N 2 0 282.392 -0.154 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[NH2+]CCO)C1 ZINC001147834772 814917813 /nfs/dbraw/zinc/91/78/13/814917813.db2.gz MJGVSTYQXLQNEF-NEPJUHHUSA-N 2 0 257.378 -0.195 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CCS(C)(=O)=O)C1 ZINC001147877038 814920384 /nfs/dbraw/zinc/92/03/84/814920384.db2.gz CXZCFUXOAOWPMV-NSHDSACASA-N 2 0 291.417 -0.921 20 0 CBADRP Cn1nccc1CC[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147848191 814920523 /nfs/dbraw/zinc/92/05/23/814920523.db2.gz HXYZHEMZKAYTJD-UHFFFAOYSA-N 2 0 297.403 -0.753 20 0 CBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC[C@H]1CCCO1 ZINC001147848667 814921300 /nfs/dbraw/zinc/92/13/00/814921300.db2.gz RZBFDFOGEQSYJI-CYBMUJFWSA-N 2 0 287.404 -0.161 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001147885463 814921794 /nfs/dbraw/zinc/92/17/94/814921794.db2.gz MJLBRLMKCCKLKQ-NWDGAFQWSA-N 2 0 282.388 -0.687 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147878092 814921818 /nfs/dbraw/zinc/92/18/18/814921818.db2.gz RPVRHGVLDWNMBQ-NSHDSACASA-N 2 0 270.377 -0.830 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147878138 814922182 /nfs/dbraw/zinc/92/21/82/814922182.db2.gz TYFDRJYMQPAIHZ-NSHDSACASA-N 2 0 280.376 -0.637 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147877566 814923077 /nfs/dbraw/zinc/92/30/77/814923077.db2.gz LQTZWKVSJOBZCL-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP Cc1cnc(C[NH2+]CCNC(=O)COCC[NH+](C)C)cn1 ZINC001147892074 814923887 /nfs/dbraw/zinc/92/38/87/814923887.db2.gz HSBJGAWIQFSFHQ-UHFFFAOYSA-N 2 0 295.387 -0.431 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CCOCCO)C1 ZINC001147886455 814923970 /nfs/dbraw/zinc/92/39/70/814923970.db2.gz WPFUZEFHASKTIZ-GFCCVEGCSA-N 2 0 273.377 -0.957 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncc2c(n1)C[NH2+]C2 ZINC001159754904 815593497 /nfs/dbraw/zinc/59/34/97/815593497.db2.gz APMHDBOALXOVCN-MWLCHTKSSA-N 2 0 277.328 -0.357 20 0 CBADRP C[C@@H]1C(=O)Nc2cnc(N[C@@H]([NH3+])CCC[NH3+])nc2N1C ZINC001159785802 815594188 /nfs/dbraw/zinc/59/41/88/815594188.db2.gz SVDSPKMJXACZEL-VXNVDRBHSA-N 2 0 279.348 -0.311 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2C[C@H]1C[C@H]2F ZINC001160428807 815620652 /nfs/dbraw/zinc/62/06/52/815620652.db2.gz WJSQEDHMTQEMIW-SYEHKZFSSA-N 2 0 284.379 -0.304 20 0 CBADRP COCCN(C(=O)[C@H]1C[NH2+]C[C@@H]1O)C1CC[NH+](C)CC1 ZINC001160441308 815622098 /nfs/dbraw/zinc/62/20/98/815622098.db2.gz WBKRRMYCTVRFGE-STQMWFEESA-N 2 0 285.388 -0.864 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N(CCO)Cc1cccs1 ZINC001160443478 815622347 /nfs/dbraw/zinc/62/23/47/815622347.db2.gz KXLHSXCHFVVFTG-LBPRGKRZSA-N 2 0 295.408 -0.122 20 0 CBADRP COCCN(C(=O)[C@@H]1CC[NH2+]1)C1CC[NH+](C)CC1 ZINC001160440682 815622409 /nfs/dbraw/zinc/62/24/09/815622409.db2.gz SBJOSESHLJULGF-LBPRGKRZSA-N 2 0 255.362 -0.083 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)C1(N)CC[NH2+]CC1 ZINC001160453761 815624135 /nfs/dbraw/zinc/62/41/35/815624135.db2.gz DGTJNTRSLQGWCW-UHFFFAOYSA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001160456271 815624989 /nfs/dbraw/zinc/62/49/89/815624989.db2.gz FJJIVNLUNNVGMO-TZMCWYRMSA-N 2 0 266.389 -0.604 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC001160454734 815625070 /nfs/dbraw/zinc/62/50/70/815625070.db2.gz RZLAWAQTPKMXPB-LBPRGKRZSA-N 2 0 271.361 -0.323 20 0 CBADRP [NH3+][C@H](C(=O)N1CCC2(C1)OCCO2)C1CC[NH2+]CC1 ZINC001160471268 815626535 /nfs/dbraw/zinc/62/65/35/815626535.db2.gz TZKHHZRDTKTBPB-NSHDSACASA-N 2 0 269.345 -0.711 20 0 CBADRP Cc1cc(CN(C)C(=O)[C@H]([NH3+])CCC[NH3+])n(C)n1 ZINC001160475074 815626995 /nfs/dbraw/zinc/62/69/95/815626995.db2.gz MKVHHGBNNYZWJQ-LLVKDONJSA-N 2 0 253.350 -0.247 20 0 CBADRP CC[NH+](CC)C1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001160484162 815628694 /nfs/dbraw/zinc/62/86/94/815628694.db2.gz ZJAJFVGBYNPWGX-STQMWFEESA-N 2 0 269.389 -0.101 20 0 CBADRP N[C@]1(C(=O)N2CC[NH+](C3CCOCC3)CC2)CC[NH2+]C1 ZINC001160491196 815630347 /nfs/dbraw/zinc/63/03/47/815630347.db2.gz WJDUVCDAZKSZJA-CQSZACIVSA-N 2 0 282.388 -1.000 20 0 CBADRP [NH3+]Cc1cc(N[C@]2(C[NH3+])CN3CCC2CC3)ncn1 ZINC001160510373 815631734 /nfs/dbraw/zinc/63/17/34/815631734.db2.gz HTHUBYVJAVQQEM-CYBMUJFWSA-N 2 0 262.361 -0.230 20 0 CBADRP [NH3+]C1CCN(C(=O)[C@@H]2C[NH2+]CC23CCOCC3)CC1 ZINC001160511469 815631763 /nfs/dbraw/zinc/63/17/63/815631763.db2.gz QJMVYBUSJIKBFT-LBPRGKRZSA-N 2 0 267.373 -0.048 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC001160515642 815632719 /nfs/dbraw/zinc/63/27/19/815632719.db2.gz PXAURAQBEBPWRM-GHMZBOCLSA-N 2 0 269.345 -0.665 20 0 CBADRP Cn1nnc2c1ncnc2N[C@]1(C[NH3+])CN2CCC1CC2 ZINC001160517112 815633192 /nfs/dbraw/zinc/63/31/92/815633192.db2.gz BDRQDPBCFTWESY-CYBMUJFWSA-N 2 0 288.359 -0.407 20 0 CBADRP [NH3+]C1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]3CCO[C@@H]32)CC1 ZINC001160515593 815633278 /nfs/dbraw/zinc/63/32/78/815633278.db2.gz NWDBBTGEJPJQCW-JLLWLGSASA-N 2 0 253.346 -0.439 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001160538081 815634408 /nfs/dbraw/zinc/63/44/08/815634408.db2.gz SVHZEPSUWVQPMG-GFCCVEGCSA-N 3 0 256.394 -0.005 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001160538318 815634551 /nfs/dbraw/zinc/63/45/51/815634551.db2.gz VXMQZOIKPFPKDL-CYBMUJFWSA-N 2 0 296.415 -0.741 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001160537593 815634642 /nfs/dbraw/zinc/63/46/42/815634642.db2.gz NHLQVXLNUCJCFM-IUODEOHRSA-N 2 0 280.416 -0.119 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCCC12COC2 ZINC001160542448 815635218 /nfs/dbraw/zinc/63/52/18/815635218.db2.gz XAFJAKYJOMAJOO-JTQLQIEISA-N 2 0 251.330 -0.813 20 0 CBADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@@H](N)CC[NH3+] ZINC001160539641 815635654 /nfs/dbraw/zinc/63/56/54/815635654.db2.gz ZGBQJAWHMCEETQ-IUCAKERBSA-N 2 0 264.333 -0.897 20 0 CBADRP Cn1cc2c(n1)CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C2 ZINC001160558848 815637665 /nfs/dbraw/zinc/63/76/65/815637665.db2.gz XGMXQQKHKZECQS-SNVBAGLBSA-N 2 0 251.334 -0.629 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CCC(=O)O2)CC1 ZINC001160576102 815639775 /nfs/dbraw/zinc/63/97/75/815639775.db2.gz PAARFDWZIBLWEM-NSHDSACASA-N 2 0 293.367 -0.506 20 0 CBADRP CCOC(=O)[C@H]1CCCCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160583427 815641236 /nfs/dbraw/zinc/64/12/36/815641236.db2.gz XXUBGAAMNVECQT-VXGBXAGGSA-N 2 0 295.383 -0.260 20 0 CBADRP CC(C)(C)[NH+]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001160578401 815641707 /nfs/dbraw/zinc/64/17/07/815641707.db2.gz YOKLNFLWRBWXDI-QWRGUYRKSA-N 2 0 255.362 -0.491 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@@H](CCO)C1 ZINC001160610470 815645567 /nfs/dbraw/zinc/64/55/67/815645567.db2.gz DCMRVCHMCRZMAD-NWDGAFQWSA-N 2 0 267.373 -0.584 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@]1(N)CC[NH2+]C1 ZINC001160626849 815645657 /nfs/dbraw/zinc/64/56/57/815645657.db2.gz BPQMCXJCNOXULO-OAHLLOKOSA-N 3 0 299.463 -0.591 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[NH2+]CCN1 ZINC001160628979 815645691 /nfs/dbraw/zinc/64/56/91/815645691.db2.gz NEQQXZHUFXPETP-AWEZNQCLSA-N 3 0 299.463 -0.720 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001160640630 815648539 /nfs/dbraw/zinc/64/85/39/815648539.db2.gz KDMBAEDOQLXIGS-VIFPVBQESA-N 2 0 295.343 -0.771 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCC[C@H](n2cncn2)C1)C1CC[NH2+]CC1 ZINC001160638694 815649560 /nfs/dbraw/zinc/64/95/60/815649560.db2.gz XYMOUBHTBQGRFF-QWHCGFSZSA-N 2 0 292.387 -0.232 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccsc2)CCO1 ZINC001160643677 815650394 /nfs/dbraw/zinc/65/03/94/815650394.db2.gz MCZZRDKOHRBXNA-QWRGUYRKSA-N 2 0 269.370 -0.196 20 0 CBADRP N[C@H](C[NH3+])c1ccc(C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC001160646043 815650691 /nfs/dbraw/zinc/65/06/91/815650691.db2.gz USCGRIMGIPIGJZ-QWHCGFSZSA-N 2 0 278.356 -0.555 20 0 CBADRP CO[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001160647251 815651762 /nfs/dbraw/zinc/65/17/62/815651762.db2.gz CWAYLZWJWTZBLS-ZJUUUORDSA-N 2 0 261.391 -0.357 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647199 815651789 /nfs/dbraw/zinc/65/17/89/815651789.db2.gz AMLMHTYYBMBNOY-OLZOCXBDSA-N 2 0 296.415 -0.121 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1)C1CC[NH2+]CC1 ZINC001160649432 815651946 /nfs/dbraw/zinc/65/19/46/815651946.db2.gz LIDVRMARKNVKKI-AXFHLTTASA-N 3 0 258.341 -0.789 20 0 CBADRP C[C@@H]1C[C@H](O)CCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160656338 815652736 /nfs/dbraw/zinc/65/27/36/815652736.db2.gz VJYZLEGRMSPJMS-RAIGVLPGSA-N 2 0 284.404 -0.891 20 0 CBADRP [NH3+]CC1CCC(C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001160655885 815652874 /nfs/dbraw/zinc/65/28/74/815652874.db2.gz QUUFTCCVDQPDSL-KIDURHIOSA-N 2 0 255.362 -0.328 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2CO[C@@]3(C2)CCC[NH2+]CC3)C[C@H]1O ZINC001160652872 815653276 /nfs/dbraw/zinc/65/32/76/815653276.db2.gz PEEFWHKHLFPCSB-BHPKHCPMSA-N 2 0 297.399 -0.544 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)C[NH2+]2)C[C@H]1O ZINC001160652582 815653286 /nfs/dbraw/zinc/65/32/86/815653286.db2.gz HIEJVOAMYDLUJW-QCLAVDOMSA-N 2 0 295.305 -0.163 20 0 CBADRP [NH3+][C@@H](Cc1ccsc1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160652578 815653465 /nfs/dbraw/zinc/65/34/65/815653465.db2.gz HCGWUQVGEFEWBP-OUAUKWLOSA-N 2 0 269.370 -0.462 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2CO[C@]3(C2)CCC[NH2+]CC3)C[C@H]1O ZINC001160652875 815653488 /nfs/dbraw/zinc/65/34/88/815653488.db2.gz PEEFWHKHLFPCSB-RGCMKSIDSA-N 2 0 297.399 -0.544 20 0 CBADRP CC1(C)CN(C2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2)CCO1 ZINC001160663482 815654524 /nfs/dbraw/zinc/65/45/24/815654524.db2.gz ORFNKYBJLUYHOY-ZDUSSCGKSA-N 2 0 298.431 -0.236 20 0 CBADRP CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160681189 815655180 /nfs/dbraw/zinc/65/51/80/815655180.db2.gz WVJVRAOPVYLHEZ-NSHDSACASA-N 2 0 297.399 -0.014 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC001160670289 815655510 /nfs/dbraw/zinc/65/55/10/815655510.db2.gz WAFSKHJSLUMTPE-CHWSQXEVSA-N 2 0 297.399 -0.720 20 0 CBADRP CC(C)[C@H]1COCCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160669926 815655879 /nfs/dbraw/zinc/65/58/79/815655879.db2.gz OJBHBFDRZSEFIO-VXGBXAGGSA-N 2 0 267.373 -0.321 20 0 CBADRP CN(Cc1ccon1)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160687517 815656826 /nfs/dbraw/zinc/65/68/26/815656826.db2.gz GCDSXERTXWMYDE-GFCCVEGCSA-N 2 0 281.360 -0.617 20 0 CBADRP CN(CCC1OCCO1)C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001160683592 815657019 /nfs/dbraw/zinc/65/70/19/815657019.db2.gz OEMZQMIGWWULND-GFCCVEGCSA-N 2 0 271.361 -0.465 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@H](c2ncc[nH]2)C1 ZINC001160688730 815657386 /nfs/dbraw/zinc/65/73/86/815657386.db2.gz GBDHVFBNAYITOV-NWDGAFQWSA-N 2 0 289.383 -0.075 20 0 CBADRP CN(Cc1ccon1)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160687519 815657716 /nfs/dbraw/zinc/65/77/16/815657716.db2.gz GCDSXERTXWMYDE-LBPRGKRZSA-N 2 0 281.360 -0.617 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001160696361 815658556 /nfs/dbraw/zinc/65/85/56/815658556.db2.gz VLPGHKZUMUXKKK-DYEKYZERSA-N 2 0 267.373 -0.320 20 0 CBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001160696362 815658646 /nfs/dbraw/zinc/65/86/46/815658646.db2.gz VLPGHKZUMUXKKK-OBJOEFQTSA-N 2 0 267.373 -0.320 20 0 CBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160694698 815659032 /nfs/dbraw/zinc/65/90/32/815659032.db2.gz DCLSUAZYCVWLQL-RYUDHWBXSA-N 3 0 266.389 -0.747 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001160694358 815659236 /nfs/dbraw/zinc/65/92/36/815659236.db2.gz ABUMKICHHGKSRC-DDBGAENHSA-N 2 0 275.418 -0.460 20 0 CBADRP CCN(CCn1cccn1)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160694509 815659375 /nfs/dbraw/zinc/65/93/75/815659375.db2.gz WVUZWSWZLCCMBS-UKRRQHHQSA-N 2 0 291.399 -0.069 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC001160699046 815660011 /nfs/dbraw/zinc/66/00/11/815660011.db2.gz YMNSIERBTQLHFF-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001160704332 815660257 /nfs/dbraw/zinc/66/02/57/815660257.db2.gz JPHWWDVLNGTIQC-LOWVWBTDSA-N 2 0 277.372 -0.690 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)[C@@]3(N)CCC[NH2+]C3)C[C@H]2C1 ZINC001160703350 815660587 /nfs/dbraw/zinc/66/05/87/815660587.db2.gz BZUWTYWWVKDPMH-NTZNESFSSA-N 2 0 252.362 -0.913 20 0 CBADRP Cn1cnnc1C1CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160705288 815661903 /nfs/dbraw/zinc/66/19/03/815661903.db2.gz MMNJCVLQIURUQI-LBPRGKRZSA-N 2 0 294.403 -0.023 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCO[C@H](C(F)(F)F)C1 ZINC001160705273 815662383 /nfs/dbraw/zinc/66/23/83/815662383.db2.gz MBYRZHXLQDULGD-BDAKNGLRSA-N 2 0 293.289 -0.415 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(C)[C@@H](C)C(=O)OC ZINC001160718977 815663965 /nfs/dbraw/zinc/66/39/65/815663965.db2.gz ZHZQSSYCIUEENX-UWVGGRQHSA-N 2 0 259.350 -0.277 20 0 CBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC001160725894 815665210 /nfs/dbraw/zinc/66/52/10/815665210.db2.gz GXMWYWNUEBJIPJ-LLVKDONJSA-N 2 0 283.376 -0.931 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC001160726540 815665776 /nfs/dbraw/zinc/66/57/76/815665776.db2.gz PIQIOXYFWVQULG-LBPRGKRZSA-N 3 0 254.378 -0.251 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC[NH+]2CCC1CC2 ZINC001160726757 815665826 /nfs/dbraw/zinc/66/58/26/815665826.db2.gz SRPINXNORNPONW-GFCCVEGCSA-N 3 0 264.373 -0.898 20 0 CBADRP CCN(CC(C)(C)O)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160755368 815666649 /nfs/dbraw/zinc/66/66/49/815666649.db2.gz GMKCMFZKQXIMRZ-JTQLQIEISA-N 2 0 255.362 -0.585 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCc2nccn2CC1 ZINC001160760514 815669394 /nfs/dbraw/zinc/66/93/94/815669394.db2.gz OCVUKDQGSBWIQI-LLVKDONJSA-N 2 0 275.356 -0.923 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001160766862 815670806 /nfs/dbraw/zinc/67/08/06/815670806.db2.gz XKTJTXKBOZBPHJ-XSPKLOCKSA-N 2 0 281.278 -0.017 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(C[C@@H](F)CO2)CC1 ZINC001160786766 815672020 /nfs/dbraw/zinc/67/20/20/815672020.db2.gz IBLLWGFJIXYECC-VXGBXAGGSA-N 2 0 297.374 -0.085 20 0 CBADRP CCOC(=O)[C@]12CN(C(=O)CCC[NH2+]C)C[C@H]1C[NH2+]CC2 ZINC001160806283 815673502 /nfs/dbraw/zinc/67/35/02/815673502.db2.gz NVOHPPDPQPCNCM-IUODEOHRSA-N 2 0 297.399 -0.013 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@]1(C)CC[NH2+]C1 ZINC001160839385 815676647 /nfs/dbraw/zinc/67/66/47/815676647.db2.gz PHKYGMZSCDVFEQ-WCQYABFASA-N 2 0 255.362 -0.225 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001160840834 815677369 /nfs/dbraw/zinc/67/73/69/815677369.db2.gz ZVCGYIKCHDOMGB-OLZOCXBDSA-N 3 0 284.404 -0.898 20 0 CBADRP C[C@@H]1CN(C)C[C@H](C(=O)NCCC[NH2+]C[C@H]2CCOC2)O1 ZINC001160857335 815681315 /nfs/dbraw/zinc/68/13/15/815681315.db2.gz FLBLHDGAYIWLOC-MGPQQGTHSA-N 2 0 299.415 -0.162 20 0 CBADRP NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001160866320 815682651 /nfs/dbraw/zinc/68/26/51/815682651.db2.gz AOUJFUXOCIAPMU-NWDGAFQWSA-N 2 0 282.388 -0.416 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001160883011 815684376 /nfs/dbraw/zinc/68/43/76/815684376.db2.gz FHTGXDQCGITDRQ-SNVBAGLBSA-N 2 0 283.380 -0.854 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+]CCn1cncn1)[NH+](C)C ZINC001160890003 815684916 /nfs/dbraw/zinc/68/49/16/815684916.db2.gz SJRFRGAJFZMCDY-GFCCVEGCSA-N 2 0 282.392 -0.286 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+][C@@H](CC)C(N)=O)[NH+](C)C ZINC001160890164 815685558 /nfs/dbraw/zinc/68/55/58/815685558.db2.gz XIIZBARFQYSZAW-WDEREUQCSA-N 2 0 272.393 -0.314 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC(Oc2cnccn2)CC1 ZINC001160890220 815685897 /nfs/dbraw/zinc/68/58/97/815685897.db2.gz IHJAKYQTTMOISI-GFCCVEGCSA-N 2 0 293.371 -0.087 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915572 815686332 /nfs/dbraw/zinc/68/63/32/815686332.db2.gz DFTLCGYXCTYRMT-UHFFFAOYSA-N 2 0 290.371 -0.877 20 0 CBADRP COC(=O)c1cn2c(n1)CN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2 ZINC001160902586 815686686 /nfs/dbraw/zinc/68/66/86/815686686.db2.gz UDGJPIMYOADIKH-SECBINFHSA-N 2 0 295.343 -0.922 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)C1(N)CC[NH2+]CC1)C2 ZINC001160962650 815691032 /nfs/dbraw/zinc/69/10/32/815691032.db2.gz FKGPGBRPNWDIHX-DGCLKSJQSA-N 2 0 266.389 -0.523 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001160962208 815691152 /nfs/dbraw/zinc/69/11/52/815691152.db2.gz AOPDVIAYIWBIEA-TYNCELHUSA-N 2 0 294.399 -0.654 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C2 ZINC001160965760 815691359 /nfs/dbraw/zinc/69/13/59/815691359.db2.gz YEXDMWNYLXYDQS-JTNHKYCSSA-N 2 0 297.403 -0.828 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1CCN3)C2 ZINC001160962278 815691638 /nfs/dbraw/zinc/69/16/38/815691638.db2.gz BTYVRVMXYKYAFR-GBOPCIDUSA-N 2 0 278.400 -0.652 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3N1)C2 ZINC001160965805 815691666 /nfs/dbraw/zinc/69/16/66/815691666.db2.gz YLENRNNIODOTRK-GGAZOKNXSA-N 2 0 278.400 -0.654 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160967022 815691824 /nfs/dbraw/zinc/69/18/24/815691824.db2.gz IRFYQEUXIYZKSM-HTQZYQBOSA-N 3 0 250.293 -0.753 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160972903 815692517 /nfs/dbraw/zinc/69/25/17/815692517.db2.gz UFGWYAZEZKPKAG-QMMMGPOBSA-N 2 0 277.319 -0.165 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)CC(F)(F)C1 ZINC001160969281 815692529 /nfs/dbraw/zinc/69/25/29/815692529.db2.gz ZHWGNYGJMFUYDM-PTRXPTGYSA-N 2 0 274.315 -0.867 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160972151 815692857 /nfs/dbraw/zinc/69/28/57/815692857.db2.gz PMUIDGHCDYZMLX-MRVPVSSYSA-N 3 0 250.293 -0.880 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CC(F)(F)C1 ZINC001160974107 815692971 /nfs/dbraw/zinc/69/29/71/815692971.db2.gz YJDWZHDKNQYSFP-IUCAKERBSA-N 2 0 263.288 -0.440 20 0 CBADRP [NH3+][C@@H](C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1)C1CC[NH2+]CC1 ZINC001160970681 815693187 /nfs/dbraw/zinc/69/31/87/815693187.db2.gz AFZVHMGQCJZTPC-VHSXEESVSA-N 3 0 276.331 -0.492 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160972152 815693442 /nfs/dbraw/zinc/69/34/42/815693442.db2.gz PMUIDGHCDYZMLX-QMMMGPOBSA-N 3 0 250.293 -0.880 20 0 CBADRP CC1(C)[C@H]2[C@@H]1C[NH2+][C@@H]2C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161006942 815693894 /nfs/dbraw/zinc/69/38/94/815693894.db2.gz HIICHXDXCZUWQB-RNJOBUHISA-N 2 0 293.411 -0.054 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161007120 815693917 /nfs/dbraw/zinc/69/39/17/815693917.db2.gz HWQMUDMMBNEMLB-STQMWFEESA-N 3 0 298.431 -0.452 20 0 CBADRP CC(C)[NH2+]CC(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000436 815694049 /nfs/dbraw/zinc/69/40/49/815694049.db2.gz SSDDMJZTYFNHPQ-LLVKDONJSA-N 2 0 255.362 -0.300 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161007492 815694534 /nfs/dbraw/zinc/69/45/34/815694534.db2.gz KEOQTIDOKJBKJT-VXGBXAGGSA-N 2 0 283.372 -0.920 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161007478 815694653 /nfs/dbraw/zinc/69/46/53/815694653.db2.gz KCPBKYHPFQGRDR-IUCAKERBSA-N 2 0 277.315 -0.316 20 0 CBADRP [NH3+][C@H](C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1)C1CC[NH2+]CC1 ZINC001161009745 815694896 /nfs/dbraw/zinc/69/48/96/815694896.db2.gz XSJNWTYXWFPHOQ-STQMWFEESA-N 3 0 296.415 -0.971 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[C@@]3(C2)C[NH2+]CCO3)CC[NH2+]1 ZINC001161016381 815696104 /nfs/dbraw/zinc/69/61/04/815696104.db2.gz YUOFEVZNIHBMTB-YRGRVCCFSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)CC[NH2+]1 ZINC001161016326 815696395 /nfs/dbraw/zinc/69/63/95/815696395.db2.gz WYUOBSXDXNNSDX-MCIONIFRSA-N 2 0 280.416 -0.119 20 0 CBADRP O=C1CNCCN1CCNc1nccc(N2CCCC2)n1 ZINC001161018612 815697011 /nfs/dbraw/zinc/69/70/11/815697011.db2.gz AQIOBCRDZCEXNR-UHFFFAOYSA-N 2 0 290.371 -0.080 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CC[NH2+]1 ZINC001161015945 815697027 /nfs/dbraw/zinc/69/70/27/815697027.db2.gz MVSNKAMMNRAGEX-NEPJUHHUSA-N 3 0 256.394 -0.134 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]3CCO[C@@H]32)CC[NH2+]1 ZINC001161020626 815697603 /nfs/dbraw/zinc/69/76/03/815697603.db2.gz UIQLPTKTFALJRR-KKOKHZNYSA-N 2 0 253.346 -0.569 20 0 CBADRP CC(=O)[C@@H]1CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161037962 815701653 /nfs/dbraw/zinc/70/16/53/815701653.db2.gz CEJFHZQSCJGEHL-VXGBXAGGSA-N 2 0 253.346 -0.249 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161040479 815702285 /nfs/dbraw/zinc/70/22/85/815702285.db2.gz AMWMVFCGWMZLOR-CHWSQXEVSA-N 2 0 287.404 -0.426 20 0 CBADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001161049228 815702703 /nfs/dbraw/zinc/70/27/03/815702703.db2.gz DHCIQKOMOFOTPQ-RYUDHWBXSA-N 3 0 256.394 -0.006 20 0 CBADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC001161049911 815703508 /nfs/dbraw/zinc/70/35/08/815703508.db2.gz JHLHXCGAKBXPMA-WOPDTQHZSA-N 2 0 255.362 -0.350 20 0 CBADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001161049931 815704252 /nfs/dbraw/zinc/70/42/52/815704252.db2.gz JUYDOTRVYHJAOW-RYUDHWBXSA-N 3 0 288.461 -0.053 20 0 CBADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC001161049910 815704349 /nfs/dbraw/zinc/70/43/49/815704349.db2.gz JHLHXCGAKBXPMA-SRVKXCTJSA-N 2 0 255.362 -0.350 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N(C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161058242 815704950 /nfs/dbraw/zinc/70/49/50/815704950.db2.gz QJBVKARJWYASIM-GARJFASQSA-N 2 0 257.334 -0.395 20 0 CBADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161050480 815705755 /nfs/dbraw/zinc/70/57/55/815705755.db2.gz NPCNJUKMMVWFNY-STQMWFEESA-N 3 0 280.416 -0.264 20 0 CBADRP CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161057796 815705831 /nfs/dbraw/zinc/70/58/31/815705831.db2.gz GLCNTAOZLPGNFR-SFTQSGBHSA-N 2 0 267.373 -0.049 20 0 CBADRP CN(C(=O)CN1CC[NH2+]CC1)C1(C)CC[NH2+]CC1 ZINC001161067219 815707436 /nfs/dbraw/zinc/70/74/36/815707436.db2.gz GNDINZFIHLBKRS-UHFFFAOYSA-N 2 0 254.378 -0.508 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3cnc[nH]3)C[C@@H]21 ZINC001161081349 815708844 /nfs/dbraw/zinc/70/88/44/815708844.db2.gz ITJSUPIDGDNUIN-DRZSPHRISA-N 2 0 277.372 -0.168 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)C[C@H]21 ZINC001161081028 815708930 /nfs/dbraw/zinc/70/89/30/815708930.db2.gz CJYBHJABNMPZCX-NOOOWODRSA-N 2 0 252.362 -0.914 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])Cc3cnc[nH]3)C[C@@H]21 ZINC001161081353 815709049 /nfs/dbraw/zinc/70/90/49/815709049.db2.gz ITJSUPIDGDNUIN-RTXFEEFZSA-N 2 0 277.372 -0.168 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@H]21 ZINC001161080948 815709133 /nfs/dbraw/zinc/70/91/33/815709133.db2.gz AAQZPOCFHJEGCX-GRYCIOLGSA-N 3 0 286.445 -0.442 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]21 ZINC001161081140 815709510 /nfs/dbraw/zinc/70/95/10/815709510.db2.gz FVQMJSDBJACPQN-AVGNSLFASA-N 3 0 268.405 -0.005 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@]3(N)CCC[NH2+]C3)C[C@H]21 ZINC001161081136 815709841 /nfs/dbraw/zinc/70/98/41/815709841.db2.gz FSLCARNIYHQSLC-YRGRVCCFSA-N 2 0 266.389 -0.380 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)CNC3CC[NH2+]CC3)C[C@@H]21 ZINC001161081241 815709898 /nfs/dbraw/zinc/70/98/98/815709898.db2.gz HYRSRIUNPUSBMU-JSGCOSHPSA-N 2 0 280.416 -0.119 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)C[NH3+])C[C@H]21 ZINC001161082887 815710704 /nfs/dbraw/zinc/71/07/04/815710704.db2.gz QGXNEEUBIZHCJF-FRRDWIJNSA-N 2 0 294.399 -0.511 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@H]21 ZINC001161081877 815711261 /nfs/dbraw/zinc/71/12/61/815711261.db2.gz MHOPJWZWXQOMBP-IRCOFANPSA-N 2 0 253.346 -0.738 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C[C@H]3COCC[NH2+]3)C[C@@H]21 ZINC001161084039 815711987 /nfs/dbraw/zinc/71/19/87/815711987.db2.gz WLAVQRUZFRWCOF-AGIUHOORSA-N 2 0 267.373 -0.083 20 0 CBADRP CN(CCO)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001161107174 815715760 /nfs/dbraw/zinc/71/57/60/815715760.db2.gz BIFLPVYZMHZNPW-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP CC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161129437 815717503 /nfs/dbraw/zinc/71/75/03/815717503.db2.gz FTOYEJJQXCJBJM-KGLIPLIRSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(=O)N1CCC[C@@H](N(C)C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161129441 815717665 /nfs/dbraw/zinc/71/76/65/815717665.db2.gz FTOYEJJQXCJBJM-ZIAGYGMSSA-N 2 0 296.415 -0.217 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@]12CC[C@H]1C[NH2+]C2 ZINC001161157548 815722825 /nfs/dbraw/zinc/72/28/25/815722825.db2.gz FSBCRKNYBDKLRD-SMDDNHRTSA-N 2 0 283.372 -0.274 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C(=O)C[C@@H]1COCC[NH2+]1 ZINC001161157819 815723769 /nfs/dbraw/zinc/72/37/69/815723769.db2.gz KTCKTUUOLDCFAD-LLVKDONJSA-N 2 0 287.360 -0.895 20 0 CBADRP CC(C)(O)CC[NH+]1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC001161175464 815724114 /nfs/dbraw/zinc/72/41/14/815724114.db2.gz MHIPNALBRUTMDN-UHFFFAOYSA-N 2 0 298.431 -0.803 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@H]2C1 ZINC001161174681 815725005 /nfs/dbraw/zinc/72/50/05/815725005.db2.gz CHOWBBMMZXHVJT-OKILXGFUSA-N 2 0 280.416 -0.308 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@H]2C1 ZINC001161174608 815725064 /nfs/dbraw/zinc/72/50/64/815725064.db2.gz ATFCGCSIVCTYKD-NDBYEHHHSA-N 2 0 267.373 -0.491 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CCN4)C[C@H]2C1 ZINC001161175195 815725188 /nfs/dbraw/zinc/72/51/88/815725188.db2.gz IUDNWJKGSWDNQN-CTASWTNQSA-N 2 0 292.427 -0.262 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161206092 815727629 /nfs/dbraw/zinc/72/76/29/815727629.db2.gz VFFQHHUQRNDUJD-UHFFFAOYSA-N 2 0 282.388 -0.701 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161203692 815727769 /nfs/dbraw/zinc/72/77/69/815727769.db2.gz HNCOSISNPSKTOC-CYBMUJFWSA-N 2 0 269.389 -0.066 20 0 CBADRP N[C@@H](C[NH3+])C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161205902 815728019 /nfs/dbraw/zinc/72/80/19/815728019.db2.gz UBDABIKSNLMGSW-LBPRGKRZSA-N 2 0 254.378 -0.489 20 0 CBADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161220490 815728804 /nfs/dbraw/zinc/72/88/04/815728804.db2.gz ZGFZAOUDAHEVGS-SRRSOLGSSA-N 2 0 297.399 -0.018 20 0 CBADRP CN(C(=O)[C@H]([NH3+])Cc1cccc(O)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161217439 815728823 /nfs/dbraw/zinc/72/88/23/815728823.db2.gz CLFORCNAMMCQKG-RQJABVFESA-N 2 0 275.352 -0.062 20 0 CBADRP CN(C(=O)[C@H]([NH3+])CCC[NH3+])[C@@H]1CCC2(C1)OCCO2 ZINC001161219368 815728986 /nfs/dbraw/zinc/72/89/86/815728986.db2.gz PMBOTIBYJXVRBV-GHMZBOCLSA-N 2 0 271.361 -0.193 20 0 CBADRP CN(C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219195 815729056 /nfs/dbraw/zinc/72/90/56/815729056.db2.gz OEKWAFXHHCPAQX-XQHKEYJVSA-N 3 0 278.400 -0.463 20 0 CBADRP C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])C[C@H](C)[NH2+]1 ZINC001161229264 815729857 /nfs/dbraw/zinc/72/98/57/815729857.db2.gz HCJNHDJMUSSVJZ-DCAQKATOSA-N 2 0 268.361 -0.855 20 0 CBADRP C[C@H]1CN(C(=O)CCCCNC(N)=[NH2+])C[C@H](C)[NH2+]1 ZINC001161229482 815730123 /nfs/dbraw/zinc/73/01/23/815730123.db2.gz KSRIYUCHGCKRQU-UWVGGRQHSA-N 2 0 255.366 -0.151 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)NC ZINC001161226254 815730350 /nfs/dbraw/zinc/73/03/50/815730350.db2.gz ABNGYOFLSKHCRN-UHFFFAOYSA-N 2 0 272.393 -0.441 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@@H](n2ccnn2)C1 ZINC001161234317 815730847 /nfs/dbraw/zinc/73/08/47/815730847.db2.gz AMOXGGXWEKMQKA-NEPJUHHUSA-N 2 0 290.371 -0.749 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)[C@@H](C)CO1 ZINC001161235404 815731610 /nfs/dbraw/zinc/73/16/10/815731610.db2.gz PZCWNDDWNUPRGI-FMCLSXCISA-N 2 0 267.373 -0.179 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC001161235258 815731650 /nfs/dbraw/zinc/73/16/50/815731650.db2.gz PBEDEIAPXXBJKZ-QWRGUYRKSA-N 2 0 298.416 -0.539 20 0 CBADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001161239606 815733385 /nfs/dbraw/zinc/73/33/85/815733385.db2.gz NJRUWYNTUAAFIJ-GXSJLCMTSA-N 2 0 255.297 -0.821 20 0 CBADRP [NH3+]C[C@@]1(F)CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161246050 815733594 /nfs/dbraw/zinc/73/35/94/815733594.db2.gz IDHLMZKVAUTDEM-PWSUYJOCSA-N 3 0 258.341 -0.787 20 0 CBADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1 ZINC001161239890 815733755 /nfs/dbraw/zinc/73/37/55/815733755.db2.gz SZAHVDWPRQHGFY-IQIPOGNMSA-N 2 0 256.325 -0.893 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001161251520 815734357 /nfs/dbraw/zinc/73/43/57/815734357.db2.gz QZHISOPTURBDCV-UHFFFAOYSA-N 2 0 286.420 -0.051 20 0 CBADRP CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161270340 815735708 /nfs/dbraw/zinc/73/57/08/815735708.db2.gz MXSUMKPGPDESQO-OLZOCXBDSA-N 2 0 282.388 -0.560 20 0 CBADRP Cc1c[nH+]ccc1N1CCN(C(=O)[C@H]2C[NH2+]CCN2)CC1 ZINC001161306421 815738204 /nfs/dbraw/zinc/73/82/04/815738204.db2.gz LETSOVINYXQEJK-CYBMUJFWSA-N 2 0 289.383 -0.400 20 0 CBADRP Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H](N)CC[NH3+])CC1 ZINC001161306536 815738337 /nfs/dbraw/zinc/73/83/37/815738337.db2.gz PCIVCEXFEMYZNP-LBPRGKRZSA-N 2 0 277.372 -0.285 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161321703 815740188 /nfs/dbraw/zinc/74/01/88/815740188.db2.gz NRFFSXFPVVALES-OBJOEFQTSA-N 2 0 298.431 -0.060 20 0 CBADRP CCN(C(=O)[C@H]1C[NH2+]CCC1=O)[C@H]1CCC[NH2+]C1 ZINC001161330328 815741260 /nfs/dbraw/zinc/74/12/60/815741260.db2.gz MAVDBXKBRJMNMX-QWRGUYRKSA-N 2 0 253.346 -0.235 20 0 CBADRP CCN(C(=O)[C@]12C[NH2+]C[C@H]1CCN2)[C@H]1CCC[NH2+]C1 ZINC001161331672 815741311 /nfs/dbraw/zinc/74/13/11/815741311.db2.gz FVQRBKQIXWUQJN-DYEKYZERSA-N 2 0 266.389 -0.462 20 0 CBADRP CCN(C(=O)C[C@@H]([NH3+])CCC(N)=O)[C@H]1CCC[NH2+]C1 ZINC001161329459 815741422 /nfs/dbraw/zinc/74/14/22/815741422.db2.gz CUDNCEBQDUGMGR-QWRGUYRKSA-N 2 0 270.377 -0.430 20 0 CBADRP CCN(C(=O)[C@@H]1C[NH2+]C[C@@H](O)C1)[C@@H]1CCC[NH2+]C1 ZINC001161333884 815742409 /nfs/dbraw/zinc/74/24/09/815742409.db2.gz XXEMUDWFSRNYHM-TUAOUCFPSA-N 2 0 255.362 -0.443 20 0 CBADRP CCN(C(=O)[C@@H]1C[NH2+]CC[C@@H]1O)[C@@H]1CCC[NH2+]C1 ZINC001161333095 815743229 /nfs/dbraw/zinc/74/32/29/815743229.db2.gz QQALEWKOOZRZRU-UTUOFQBUSA-N 2 0 255.362 -0.443 20 0 CBADRP CCN(C(=O)C[N@@H+]1CC[C@H](O)C1)[C@@H]1CCC[NH2+]C1 ZINC001161338334 815744097 /nfs/dbraw/zinc/74/40/97/815744097.db2.gz DWSPZGCUUZTECL-NEPJUHHUSA-N 2 0 255.362 -0.347 20 0 CBADRP CCN(C(=O)[C@H]1C[N@H+](C)CCN1C)[C@H]1CCC[NH2+]C1 ZINC001161339034 815745599 /nfs/dbraw/zinc/74/55/99/815745599.db2.gz HWXUAECADDWJGZ-QWHCGFSZSA-N 2 0 268.405 -0.167 20 0 CBADRP CC(C)N(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)[C@H]1CC[NH2+]C1 ZINC001161352516 815746428 /nfs/dbraw/zinc/74/64/28/815746428.db2.gz CENGVYKQHQYJFF-LDLUMPKVSA-N 2 0 275.418 -0.319 20 0 CBADRP CCN(C(=O)[C@@H]1C[NH2+]CCN1C)[C@H]1CCC[NH2+]C1 ZINC001161340255 815746433 /nfs/dbraw/zinc/74/64/33/815746433.db2.gz QEBNFDYWDHTDAD-RYUDHWBXSA-N 2 0 254.378 -0.510 20 0 CBADRP CCN(C(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161340247 815746454 /nfs/dbraw/zinc/74/64/54/815746454.db2.gz QDWQZMFDZOSNIP-DCAQKATOSA-N 2 0 270.377 -0.561 20 0 CBADRP COC(=O)[C@]1(C)COCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001161373384 815747467 /nfs/dbraw/zinc/74/74/67/815747467.db2.gz PYGBCROARWVPDP-GWCFXTLKSA-N 2 0 287.360 -0.767 20 0 CBADRP [NH3+]C1(C(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)CC1 ZINC001161381164 815748729 /nfs/dbraw/zinc/74/87/29/815748729.db2.gz NZVRXCDYIWFXKM-LLVKDONJSA-N 2 0 253.346 -0.199 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161378880 815748924 /nfs/dbraw/zinc/74/89/24/815748924.db2.gz AKNHQTJFJFNFCQ-CHWSQXEVSA-N 3 0 284.404 -0.624 20 0 CBADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[NH2+]C[C@H]3F)C2)CC1 ZINC001161376789 815749122 /nfs/dbraw/zinc/74/91/22/815749122.db2.gz DFFHKRJFESULHD-MGPQQGTHSA-N 2 0 298.406 -0.042 20 0 CBADRP C[NH2+]CCC(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161387856 815749966 /nfs/dbraw/zinc/74/99/66/815749966.db2.gz FPBYWOHORGJVEW-GFCCVEGCSA-N 2 0 255.362 -0.081 20 0 CBADRP NC1(C(=O)N2C[C@@H]3[C@H]([NH3+])CC[C@@H]3C2)CC[NH2+]CC1 ZINC001161413777 815751108 /nfs/dbraw/zinc/75/11/08/815751108.db2.gz REZGVCZJQDNNKD-OUAUKWLOSA-N 2 0 252.362 -0.737 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CCN4)C[C@H]12 ZINC001161413346 815751247 /nfs/dbraw/zinc/75/12/47/815751247.db2.gz PJCPUGJKSURKSW-DIACKHNESA-N 2 0 264.373 -0.866 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161412003 815751481 /nfs/dbraw/zinc/75/14/81/815751481.db2.gz FBQRQOSPDRNFOS-AXFHLTTASA-N 2 0 267.377 -0.165 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161413076 815751514 /nfs/dbraw/zinc/75/15/14/815751514.db2.gz NZIFHEFMJHNTBZ-RNJOBUHISA-N 3 0 268.405 -0.101 20 0 CBADRP N[C@]1(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)CCC[NH2+]C1 ZINC001161412327 815751571 /nfs/dbraw/zinc/75/15/71/815751571.db2.gz JMLSSOPGLJOKOT-PRULPYPASA-N 2 0 252.362 -0.737 20 0 CBADRP N=c1ncc(C[NH3+])cn1-c1nc(Cl)nc2c1C[NH2+]CC2 ZINC001161415039 815752892 /nfs/dbraw/zinc/75/28/92/815752892.db2.gz LXAODIRVLKLZGZ-UHFFFAOYSA-N 2 0 291.746 -0.100 20 0 CBADRP [NH3+][C@H](C(=O)N1CC(=O)NC2(CCCC2)C1)C1CC[NH2+]CC1 ZINC001161416019 815752989 /nfs/dbraw/zinc/75/29/89/815752989.db2.gz CPHHUJVVLFZGRD-ZDUSSCGKSA-N 2 0 294.399 -0.416 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CN3CCCC[C@H]([NH3+])C3=O)C[C@@H]12 ZINC001161414333 815753432 /nfs/dbraw/zinc/75/34/32/815753432.db2.gz VCQYMFJEBGHDJJ-LPWJVIDDSA-N 2 0 294.399 -0.478 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC(=O)NC2(CCCC2)C1 ZINC001161416799 815753589 /nfs/dbraw/zinc/75/35/89/815753589.db2.gz KPUGNHHLJBGBBE-JTQLQIEISA-N 2 0 268.361 -0.676 20 0 CBADRP O=C([C@H]1CCCN([C@H]2CC[NH2+]C2)C1)N1CC[NH2+]C1 ZINC001161418753 815753693 /nfs/dbraw/zinc/75/36/93/815753693.db2.gz OMMJEDPNLZILPP-RYUDHWBXSA-N 2 0 252.362 -0.550 20 0 CBADRP O=C([C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161424064 815754143 /nfs/dbraw/zinc/75/41/43/815754143.db2.gz XTQGALGCUVHSDF-QLFBSQMISA-N 2 0 292.427 -0.023 20 0 CBADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH2+]C1 ZINC001161418462 815754476 /nfs/dbraw/zinc/75/44/76/815754476.db2.gz APXMRATYNMJTNZ-LBPRGKRZSA-N 2 0 276.340 -0.938 20 0 CBADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161422075 815754708 /nfs/dbraw/zinc/75/47/08/815754708.db2.gz ZFRYWAIUGHNZNN-CHWSQXEVSA-N 3 0 278.400 -0.223 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@H]([NH3+])CCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161443317 815755266 /nfs/dbraw/zinc/75/52/66/815755266.db2.gz PZDLAFLEBWMEEF-CHWSQXEVSA-N 4 0 285.436 -0.805 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@H]1CC[C@@H]1[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161447902 815755457 /nfs/dbraw/zinc/75/54/57/815755457.db2.gz ZXYKMDWHWLLFBU-AVGNSLFASA-N 3 0 268.405 -0.134 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@]1(C)COCCN1)[C@@H]1CCC[NH2+]C1 ZINC001161444658 815755614 /nfs/dbraw/zinc/75/56/14/815755614.db2.gz JRXOPNGBHURWLP-HIFRSBDPSA-N 2 0 298.431 -0.493 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@H]([NH3+])CCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161443319 815755716 /nfs/dbraw/zinc/75/57/16/815755716.db2.gz PZDLAFLEBWMEEF-QWHCGFSZSA-N 4 0 285.436 -0.805 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@H]1[NH2+]C[C@H]2C[C@H]21)[C@H]1CCC[NH2+]C1 ZINC001161444367 815755800 /nfs/dbraw/zinc/75/58/00/815755800.db2.gz GRRRLWSQBFFYSF-XJFOESAGSA-N 3 0 280.416 -0.264 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161447159 815756210 /nfs/dbraw/zinc/75/62/10/815756210.db2.gz VTSWJPPBFXDYSU-RYUDHWBXSA-N 3 0 256.394 -0.264 20 0 CBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1CCC[C@H]1[NH3+])CC2 ZINC001161479918 815758424 /nfs/dbraw/zinc/75/84/24/815758424.db2.gz QWGHBVJSMSMMCN-MCYUEQNJSA-N 2 0 295.383 -0.133 20 0 CBADRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001161488737 815759670 /nfs/dbraw/zinc/75/96/70/815759670.db2.gz FOEVFFULVFZSPR-MFKMUULPSA-N 2 0 285.392 -0.650 20 0 CBADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001161489420 815759832 /nfs/dbraw/zinc/75/98/32/815759832.db2.gz MRAWNSODRCFATG-BPLDGKMQSA-N 3 0 280.416 -0.227 20 0 CBADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001161488738 815760232 /nfs/dbraw/zinc/76/02/32/815760232.db2.gz FOEVFFULVFZSPR-ZWNOBZJWSA-N 2 0 285.392 -0.650 20 0 CBADRP C[C@@]1(C[NH3+])CCCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC001161489820 815761388 /nfs/dbraw/zinc/76/13/88/815761388.db2.gz WVWPBWKYUIUUBD-WFASDCNBSA-N 2 0 296.415 -0.086 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@@]2(C)CC(C)(C)C[NH2+]2)C[C@@H]1[NH3+] ZINC001161492695 815761544 /nfs/dbraw/zinc/76/15/44/815761544.db2.gz VPAVZSYKVNHRGF-OPQQBVKSSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161489531 815761654 /nfs/dbraw/zinc/76/16/54/815761654.db2.gz UOSWICLEQOHPMR-TZMCWYRMSA-N 3 0 268.405 -0.099 20 0 CBADRP C[C@]1(C[NH3+])CCCN(C(=O)CNC2CC[NH2+]CC2)C1 ZINC001161490210 815761797 /nfs/dbraw/zinc/76/17/97/815761797.db2.gz VNKBFPXSCQXCIP-CQSZACIVSA-N 2 0 268.405 -0.085 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001161492833 815761874 /nfs/dbraw/zinc/76/18/74/815761874.db2.gz XOPZMJMPWBDKJI-TUAOUCFPSA-N 2 0 283.372 -0.623 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])COC(C)(C)C)C[C@@H]1[NH3+] ZINC001161493195 815761973 /nfs/dbraw/zinc/76/19/73/815761973.db2.gz GJOJWDLZNWTTDW-LPEHRKFASA-N 2 0 259.350 -0.687 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)C1 ZINC001161511063 815764694 /nfs/dbraw/zinc/76/46/94/815764694.db2.gz VWWVSRSFIPUQBK-GMTAPVOTSA-N 2 0 253.346 -0.439 20 0 CBADRP [NH3+]CC1CCC(C(=O)N2C[C@H]([NH3+])C3(COC3)C2)CC1 ZINC001161509502 815764868 /nfs/dbraw/zinc/76/48/68/815764868.db2.gz KHNJTVIPHARVSW-MCIGGMRASA-N 2 0 267.373 -0.062 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161510408 815764941 /nfs/dbraw/zinc/76/49/41/815764941.db2.gz OOLWPDSWWKHJLW-QWHCGFSZSA-N 3 0 298.431 -0.332 20 0 CBADRP [NH3+][C@@H](CC1CCC1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161507760 815765030 /nfs/dbraw/zinc/76/50/30/815765030.db2.gz ABBUCKIXJUPMPR-QWRGUYRKSA-N 2 0 253.346 -0.310 20 0 CBADRP CC[C@]1(C(=O)N2C[C@H]([NH3+])C3(COC3)C2)CCC[NH2+]C1 ZINC001161510874 815765034 /nfs/dbraw/zinc/76/50/34/815765034.db2.gz UHTXPPFCKFJLEJ-AAEUAGOBSA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]C2)CC12COC2 ZINC001161509810 815765044 /nfs/dbraw/zinc/76/50/44/815765044.db2.gz LAXYNRUVFJUPBK-GHMZBOCLSA-N 2 0 253.346 -0.438 20 0 CBADRP [NH3+][C@H]1CN(C(=O)C2CC3(C[NH2+]C3)C2)CC12COC2 ZINC001161507800 815765071 /nfs/dbraw/zinc/76/50/71/815765071.db2.gz BDTKRCORYWUIMR-JTQLQIEISA-N 2 0 251.330 -0.828 20 0 CBADRP [NH3+][C@H](C(=O)N1C[C@H]([NH3+])C2(COC2)C1)C1CCC(O)CC1 ZINC001161511012 815765074 /nfs/dbraw/zinc/76/50/74/815765074.db2.gz UUCYTCTWAWOANG-QQFIATSDSA-N 2 0 283.372 -0.949 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@@H]2[C@H]([NH3+])[C@H]3CC[C@@H]2C3)CC12COC2 ZINC001161508658 815765143 /nfs/dbraw/zinc/76/51/43/815765143.db2.gz FWMIVCYSWZTXHF-WTPMCQDGSA-N 2 0 265.357 -0.454 20 0 CBADRP Cc1nc2c(o1)CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001161523486 815765913 /nfs/dbraw/zinc/76/59/13/815765913.db2.gz MTLFOHWBEYHWNL-SNVBAGLBSA-N 2 0 276.340 -0.323 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161511334 815766365 /nfs/dbraw/zinc/76/63/65/815766365.db2.gz YROFBYFQZONBIX-RYUDHWBXSA-N 3 0 284.404 -0.768 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001161530112 815767924 /nfs/dbraw/zinc/76/79/24/815767924.db2.gz SGMNFQWDYJSRCN-RHYQMDGZSA-N 2 0 284.404 -0.187 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001161529871 815768287 /nfs/dbraw/zinc/76/82/87/815768287.db2.gz LNAFAIHTKMRXDF-VWYCJHECSA-N 2 0 270.377 -0.576 20 0 CBADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[NH2+]C2(CC2)C1 ZINC001161545482 815769404 /nfs/dbraw/zinc/76/94/04/815769404.db2.gz UPMZANWWNLNXBB-GFCCVEGCSA-N 3 0 278.400 -0.175 20 0 CBADRP CN(CC(=O)N1CC[NH2+]C2(CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001161550067 815769904 /nfs/dbraw/zinc/76/99/04/815769904.db2.gz BGUUTDPLLMVCIZ-GFCCVEGCSA-N 2 0 266.389 -0.365 20 0 CBADRP COC(=O)CC[C@@H]1COCCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001161567663 815772187 /nfs/dbraw/zinc/77/21/87/815772187.db2.gz ZOTBOZDHADDPNP-MNOVXSKESA-N 2 0 287.360 -0.767 20 0 CBADRP N[C@@H](C[NH3+])C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161583147 815773656 /nfs/dbraw/zinc/77/36/56/815773656.db2.gz TWOXOPHKZLLYHA-AWEZNQCLSA-N 2 0 288.395 -0.064 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C2CCC1CC2 ZINC001161604955 815774043 /nfs/dbraw/zinc/77/40/43/815774043.db2.gz SCWAHIMXVNBWPH-BPCQOVAHSA-N 2 0 266.389 -0.110 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1)C(N)=O ZINC001161863757 815790807 /nfs/dbraw/zinc/79/08/07/815790807.db2.gz QHQYAMAEPSISGX-JTQLQIEISA-N 2 0 289.339 -0.082 20 0 CBADRP NC(=O)C[NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001161863307 815791092 /nfs/dbraw/zinc/79/10/92/815791092.db2.gz IEHCDCPVQFHWSE-UHFFFAOYSA-N 2 0 275.312 -0.471 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001161859606 815791145 /nfs/dbraw/zinc/79/11/45/815791145.db2.gz HHYQXTYFCKQIIA-UHFFFAOYSA-N 2 0 289.339 -0.210 20 0 CBADRP [NH3+]C1CCN(CCNc2cc(C3C[NH2+]C3)ncn2)CC1 ZINC001161872881 815792513 /nfs/dbraw/zinc/79/25/13/815792513.db2.gz OWKIMKCUBCSCDH-UHFFFAOYSA-N 2 0 276.388 -0.002 20 0 CBADRP C[C@@H](CN1CC[NH2+]CC1)Nc1cc2c(nn1)C[NH2+]C2 ZINC001162093687 815802664 /nfs/dbraw/zinc/80/26/64/815802664.db2.gz NGEAGQCPFJKMAI-JTQLQIEISA-N 2 0 262.361 -0.215 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])c1cccnc1OC1C[NH2+]C1 ZINC001162130640 815806258 /nfs/dbraw/zinc/80/62/58/815806258.db2.gz DLVDJMSKWXOZJK-UHFFFAOYSA-N 2 0 286.357 -0.843 20 0 CBADRP [NH3+][C@H]1COC[C@H]1Nc1nc(Cl)nc2c1CC[NH2+]CC2 ZINC001162917023 815846689 /nfs/dbraw/zinc/84/66/89/815846689.db2.gz JHDYMQSAOJDGON-WCBMZHEXSA-N 2 0 283.763 -0.044 20 0 CBADRP [NH3+][C@H]1COC[C@H]1Nc1ccc2nc([C@H]3CC[NH2+]C3)nn2c1 ZINC001162926007 815848297 /nfs/dbraw/zinc/84/82/97/815848297.db2.gz HSKWJXCOJFMRCG-ZMLRMANQSA-N 2 0 288.355 -0.056 20 0 CBADRP COC(=O)[C@@H](Nc1ncc2c(n1)C[NH2+]CC2)C(C)(C)[NH3+] ZINC001162941549 815849583 /nfs/dbraw/zinc/84/95/83/815849583.db2.gz NCBRZYUGLTVRTF-SNVBAGLBSA-N 2 0 279.344 -0.187 20 0 CBADRP c1nc(N[C@@H]2COCCC23C[NH2+]C3)nc2c1CC[NH2+]C2 ZINC001163065251 815856202 /nfs/dbraw/zinc/85/62/02/815856202.db2.gz LETDVSIRFURRQM-GFCCVEGCSA-N 2 0 275.356 -0.087 20 0 CBADRP COc1c(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)ncnc1C1C[NH2+]C1 ZINC001163141056 815860793 /nfs/dbraw/zinc/86/07/93/815860793.db2.gz BPDOKQQVNWALER-GMTAPVOTSA-N 2 0 291.355 -0.429 20 0 CBADRP c1nc(NC[C@]23C[NH2+]C[C@H]2COC3)nc2c1CC[NH2+]C2 ZINC001163147612 815862643 /nfs/dbraw/zinc/86/26/43/815862643.db2.gz CLHFMZOYAWOZJI-FZMZJTMJSA-N 2 0 275.356 -0.230 20 0 CBADRP c1cnc(N2CC[NH2+]CC2)c(NC[C@@]23C[NH2+][C@@H](CO2)C3)n1 ZINC001163190988 815863592 /nfs/dbraw/zinc/86/35/92/815863592.db2.gz GBQMKYTYCCUDGJ-BXUZGUMPSA-N 2 0 290.371 -0.571 20 0 CBADRP c1cc(C2C[NH2+]C2)nc(NC[C@@]23C[NH2+][C@@H](CO2)C3)n1 ZINC001163196905 815864772 /nfs/dbraw/zinc/86/47/72/815864772.db2.gz JEFPLFWKNGVQRZ-ZWNOBZJWSA-N 2 0 261.329 -0.294 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cc3c(nn2)C[NH2+]C3)N1 ZINC001163238903 815868479 /nfs/dbraw/zinc/86/84/79/815868479.db2.gz PRVKHOUWUDAZNV-CABZTGNLSA-N 2 0 260.301 -0.930 20 0 CBADRP COC(=O)Cc1cc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)cc[nH+]1 ZINC001163252094 815874354 /nfs/dbraw/zinc/87/43/54/815874354.db2.gz DVRRSLUHGMEKIE-SMDDNHRTSA-N 2 0 290.323 -0.213 20 0 CBADRP c1cc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)nc(N2CC[NH2+]CC2)n1 ZINC001163332386 815878223 /nfs/dbraw/zinc/87/82/23/815878223.db2.gz JLLAYMHNUHVQMR-MDZLAQPJSA-N 2 0 290.371 -0.573 20 0 CBADRP c1nc(O[C@@H]2CC[NH2+]C2)ncc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163342291 815879239 /nfs/dbraw/zinc/87/92/39/815879239.db2.gz GONNMDRDRLIKGA-NDBYEHHHSA-N 2 0 291.355 -0.242 20 0 CBADRP C[C@@H](CNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)[NH+](C)C ZINC001292392500 816443450 /nfs/dbraw/zinc/44/34/50/816443450.db2.gz VBIANGMIAILXQU-QJPTWQEYSA-N 2 0 257.378 -0.102 20 0 CBADRP C[NH+]1CCC[C@H]1C(=O)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001292584185 816468861 /nfs/dbraw/zinc/46/88/61/816468861.db2.gz LFDZVUJQSVFRGY-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCNC(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC001292765834 816484470 /nfs/dbraw/zinc/48/44/70/816484470.db2.gz OFYIUHHMXAOAQG-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001292766308 816484493 /nfs/dbraw/zinc/48/44/93/816484493.db2.gz FYKPNXROTLPYEP-GFCCVEGCSA-N 2 0 294.399 -0.734 20 0 CBADRP C[NH+]1CCC(C[NH2+]CCS(=O)(=O)NC2CC2)CC1 ZINC001308975721 816829170 /nfs/dbraw/zinc/82/91/70/816829170.db2.gz GRSDOTDEQZSTCQ-UHFFFAOYSA-N 2 0 275.418 0.000 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[N@H+](C)[C@H]1CCCNC1=O ZINC001316846309 816891715 /nfs/dbraw/zinc/89/17/15/816891715.db2.gz YFTDRDARFARUJS-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H](O)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001316865766 816894678 /nfs/dbraw/zinc/89/46/78/816894678.db2.gz SCKDEUYKZAZYRS-NEPJUHHUSA-N 2 0 257.378 -0.243 20 0 CBADRP COCCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001317092370 816930897 /nfs/dbraw/zinc/93/08/97/816930897.db2.gz FKGPSFSGBVNRMC-MGPQQGTHSA-N 2 0 299.415 -0.162 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCO ZINC001317246670 816949667 /nfs/dbraw/zinc/94/96/67/816949667.db2.gz WYMJZVPIVIFUBY-NWDGAFQWSA-N 2 0 257.378 -0.053 20 0 CBADRP CC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC)[NH+](C)C ZINC001317283278 816958147 /nfs/dbraw/zinc/95/81/47/816958147.db2.gz MLZUZRPZSPGRKI-VHSXEESVSA-N 2 0 258.366 -0.833 20 0 CBADRP CCCCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317290112 816958799 /nfs/dbraw/zinc/95/87/99/816958799.db2.gz ONZABFQCPICTFY-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001317304980 816963274 /nfs/dbraw/zinc/96/32/74/816963274.db2.gz VLEQTPXXNQVKNQ-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP CN(CC[NH2+]CCNC(=O)C1CC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001317574083 817017380 /nfs/dbraw/zinc/01/73/80/817017380.db2.gz UIHUQUKXQXMYNE-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC[NH2+]CCO ZINC001317670165 817043940 /nfs/dbraw/zinc/04/39/40/817043940.db2.gz QRVJUCOKDSVXPG-TXEJJXNPSA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCOCCO)C1 ZINC001318105486 817076614 /nfs/dbraw/zinc/07/66/14/817076614.db2.gz AHCVQKMBSFHXER-ZDUSSCGKSA-N 2 0 285.388 -0.863 20 0 CBADRP COCCOCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001318140102 817081407 /nfs/dbraw/zinc/08/14/07/817081407.db2.gz MXGGPSRDGGRCHH-CQSZACIVSA-N 2 0 299.415 -0.208 20 0 CBADRP C[C@H](O)C[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001318168800 817082834 /nfs/dbraw/zinc/08/28/34/817082834.db2.gz IVSKVMLPAKIFRN-RYUDHWBXSA-N 2 0 269.389 -0.243 20 0 CBADRP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCO)C1)[NH+](C)C ZINC001318443116 817110357 /nfs/dbraw/zinc/11/03/57/817110357.db2.gz RNZABSXHCOJKTL-NWDGAFQWSA-N 2 0 257.378 -0.148 20 0 CBADRP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001318507356 817116981 /nfs/dbraw/zinc/11/69/81/817116981.db2.gz QNCUUILDYVTJML-VHSXEESVSA-N 2 0 256.350 -0.950 20 0 CBADRP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCO ZINC001318595934 817125754 /nfs/dbraw/zinc/12/57/54/817125754.db2.gz RLMUIHSWARWAIM-RYUDHWBXSA-N 2 0 257.378 -0.195 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001318857226 817144871 /nfs/dbraw/zinc/14/48/71/817144871.db2.gz CKXILXUDOFXPIE-ZDUSSCGKSA-N 2 0 268.405 -0.310 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)C[NH2+]CCO ZINC001319281042 817184644 /nfs/dbraw/zinc/18/46/44/817184644.db2.gz CGYLKEPAZCFVQR-CHWSQXEVSA-N 2 0 287.404 -0.711 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CCCO ZINC001319285345 817186495 /nfs/dbraw/zinc/18/64/95/817186495.db2.gz ZELCHOBVVNTJFM-RYUDHWBXSA-N 2 0 257.378 -0.338 20 0 CBADRP C[C@@H](C[NH2+]CCO)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001319460365 817207771 /nfs/dbraw/zinc/20/77/71/817207771.db2.gz KTLSDHDZPNQGAF-WCQYABFASA-N 2 0 269.389 -0.243 20 0 CBADRP CC(C)[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001320238712 817301401 /nfs/dbraw/zinc/30/14/01/817301401.db2.gz RQCRBDDRSNWOJU-VXGBXAGGSA-N 2 0 257.378 -0.054 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]C/C=C\Cl ZINC001320270020 817309371 /nfs/dbraw/zinc/30/93/71/817309371.db2.gz GPCASVWWGAREMP-TZGMSPROSA-N 2 0 263.769 -0.243 20 0 CBADRP C[C@H](CC[NH2+]Cc1cnn(C)n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320516176 817348610 /nfs/dbraw/zinc/34/86/10/817348610.db2.gz HJZQHXBWZWABPZ-DGCLKSJQSA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001320550980 817354500 /nfs/dbraw/zinc/35/45/00/817354500.db2.gz YREVUFCEYBBIRA-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP CCN(CC[NH2+]CCn1cncn1)C(=O)Cc1ncc[nH]1 ZINC001320876781 817404979 /nfs/dbraw/zinc/40/49/79/817404979.db2.gz QCTCKPOFZFMXAH-UHFFFAOYSA-N 2 0 291.359 -0.318 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]CC(=O)NC)CC[N@@H+]1C ZINC001321066360 817437597 /nfs/dbraw/zinc/43/75/97/817437597.db2.gz GVQDQXZIZMECNM-JQSFKPKSSA-N 2 0 296.415 -0.275 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@H](C)C(N)=O ZINC001321083115 817439696 /nfs/dbraw/zinc/43/96/96/817439696.db2.gz HEDGQVVJJNZSBA-DIABFLQPSA-N 2 0 296.415 -0.003 20 0 CBADRP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C)C(N)=O ZINC001321119712 817444930 /nfs/dbraw/zinc/44/49/30/817444930.db2.gz BTRCRANVUDNQGC-RUULKOMLSA-N 2 0 282.388 -0.394 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]CC(=O)N(C)C)C1 ZINC001321251098 817468785 /nfs/dbraw/zinc/46/87/85/817468785.db2.gz QPNFNXRKWQTELG-IHVVCDCBSA-N 2 0 296.415 -0.322 20 0 CBADRP CC[C@H](C(=O)NC/C=C\C[NH2+][C@@H]1CCCNC1=O)[NH+](C)C ZINC001321334682 817483889 /nfs/dbraw/zinc/48/38/89/817483889.db2.gz CEJXWFFBRGWXAO-NTQVKLLNSA-N 2 0 296.415 -0.133 20 0 CBADRP CC[C@H](C(=O)NC/C=C/C[NH2+][C@H]1CCCNC1=O)[NH+](C)C ZINC001321334681 817484155 /nfs/dbraw/zinc/48/41/55/817484155.db2.gz CEJXWFFBRGWXAO-JQSFKPKSSA-N 2 0 296.415 -0.133 20 0 CBADRP CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001321336910 817484325 /nfs/dbraw/zinc/48/43/25/817484325.db2.gz NPFKIQKHLASGDJ-FMFIFOJESA-N 2 0 294.403 -0.083 20 0 CBADRP [NH3+]CCNCC[NH2+][C@H]1CCN[C@H](C(F)(F)F)C1 ZINC001246406258 825671178 /nfs/dbraw/zinc/67/11/78/825671178.db2.gz SLNUBVSCTYIWQR-IUCAKERBSA-N 2 0 254.300 -0.193 20 0 CBADRP CC(C)[C@@H](O)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001261482406 826520654 /nfs/dbraw/zinc/52/06/54/826520654.db2.gz LFFYLNILZJCDPK-STQMWFEESA-N 2 0 259.394 -0.799 20 0 CBADRP C[C@H]([NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001163822086 819854511 /nfs/dbraw/zinc/85/45/11/819854511.db2.gz RTASLVNNKIDFAS-NWDGAFQWSA-N 2 0 296.415 -0.170 20 0 CBADRP CNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001163820212 819854575 /nfs/dbraw/zinc/85/45/75/819854575.db2.gz DTIQKBICNQEWBI-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP [NH3+]CCN(CCO)c1cc[nH+]c(N2CCOCC2)c1 ZINC001163832590 819855365 /nfs/dbraw/zinc/85/53/65/819855365.db2.gz UJGPTCBYLJBSIC-UHFFFAOYSA-N 2 0 266.345 -0.324 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163832690 819856865 /nfs/dbraw/zinc/85/68/65/819856865.db2.gz FPDMGDNOQSUBOS-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP [NH3+]CCN(CCO)c1ccc2nc([C@@H]3CC[NH2+]C3)nn2c1 ZINC001163839815 819859159 /nfs/dbraw/zinc/85/91/59/819859159.db2.gz QODXKLRJLQWDNX-LLVKDONJSA-N 2 0 290.371 -0.436 20 0 CBADRP [NH3+][C@H]1CCN(c2ccnc(N3CCC([NH3+])CC3)n2)C1 ZINC001164279136 819898031 /nfs/dbraw/zinc/89/80/31/819898031.db2.gz NNEAINUEYMESPY-NSHDSACASA-N 2 0 262.361 -0.059 20 0 CBADRP [NH3+]CCON=c1cncc(N2CCC([NH3+])CC2)[nH]1 ZINC001164415212 819911470 /nfs/dbraw/zinc/91/14/70/819911470.db2.gz QSLROMRCEUGONA-UHFFFAOYSA-N 2 0 252.322 -0.294 20 0 CBADRP COCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001164535732 819922902 /nfs/dbraw/zinc/92/29/02/819922902.db2.gz CROJHIHOGVRIEZ-CYBMUJFWSA-N 2 0 287.404 -0.162 20 0 CBADRP CN(c1ccc(N2CC[NH+](C)CC2)nn1)C1C[NH2+]C1 ZINC001165127357 819940274 /nfs/dbraw/zinc/94/02/74/819940274.db2.gz RTGPQEICBWQYJX-UHFFFAOYSA-N 2 0 262.361 -0.364 20 0 CBADRP C[N@H+](C1CN(c2cc(C[NH3+])ncn2)C1)[C@@H]1CCOC1 ZINC001165203718 819942901 /nfs/dbraw/zinc/94/29/01/819942901.db2.gz BYFDGQQKYHWDTB-LLVKDONJSA-N 2 0 263.345 -0.155 20 0 CBADRP C[NH+](C)Cc1ccoc1C(=O)NCCC[NH2+]CC(N)=O ZINC001165246456 819944268 /nfs/dbraw/zinc/94/42/68/819944268.db2.gz OVWYYBUBIUFBDO-UHFFFAOYSA-N 2 0 282.344 -0.464 20 0 CBADRP Cn1nnnc1C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165254147 819945058 /nfs/dbraw/zinc/94/50/58/819945058.db2.gz NKQJILYZDPXLCA-UHFFFAOYSA-N 2 0 295.391 -0.852 20 0 CBADRP c1nc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)nc2c1C[NH2+]C2 ZINC001165270728 819945765 /nfs/dbraw/zinc/94/57/65/819945765.db2.gz KWAHARBZDTUUCH-JQWIXIFHSA-N 2 0 261.329 -0.353 20 0 CBADRP c1nc(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)nc2c1C[NH2+]CC2 ZINC001165288227 819948929 /nfs/dbraw/zinc/94/89/29/819948929.db2.gz HJIKITKXGDFEDO-BXUZGUMPSA-N 2 0 289.383 -0.063 20 0 CBADRP [NH3+][C@@]12C[C@@H]1CCN(c1cncc(N3CC[NH2+]CC3)n1)C2 ZINC001165326226 819955866 /nfs/dbraw/zinc/95/58/66/819955866.db2.gz GUMRFSNCSNUPOE-SMDDNHRTSA-N 2 0 274.372 -0.186 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)CCC[NH+](C)C)C(N)=O ZINC001165360049 819957092 /nfs/dbraw/zinc/95/70/92/819957092.db2.gz LBBMXCSIESEXFV-JTQLQIEISA-N 2 0 258.366 -0.702 20 0 CBADRP [NH3+][C@H]1[C@H]2CN(c3nccc(N4CCC([NH3+])CC4)n3)C[C@@H]12 ZINC001165382892 819960376 /nfs/dbraw/zinc/96/03/76/819960376.db2.gz ZRDRYIWFZCLHNW-PTEHBNRSSA-N 2 0 274.372 -0.203 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001165776896 819982068 /nfs/dbraw/zinc/98/20/68/819982068.db2.gz NIIBEYRLOAWIQX-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH+]1CCC(C(=O)NCCC[NH2+]CC(=O)N2CCC2)CC1 ZINC001165772267 819982559 /nfs/dbraw/zinc/98/25/59/819982559.db2.gz KOMXOQDHBIFGCI-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[NH2+]CCCS(C)(=O)=O ZINC001165781101 819983872 /nfs/dbraw/zinc/98/38/72/819983872.db2.gz GBUDHEBPUMZJPJ-UHFFFAOYSA-N 2 0 293.433 -0.531 20 0 CBADRP CC(C)[C@H](C(=O)NCCC[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001166010637 819990213 /nfs/dbraw/zinc/99/02/13/819990213.db2.gz RELQQBQIUPKGSD-WDEREUQCSA-N 2 0 272.393 -0.458 20 0 CBADRP CC(C)[C@H](C(=O)NCCC[NH2+]CCOCCO)[NH+](C)C ZINC001166010937 819990575 /nfs/dbraw/zinc/99/05/75/819990575.db2.gz WHAIAKIGUBOPKN-CYBMUJFWSA-N 2 0 289.420 -0.323 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(N)=O ZINC001166634151 820008552 /nfs/dbraw/zinc/00/85/52/820008552.db2.gz PPZPZHBLKCSDGQ-JTQLQIEISA-N 2 0 256.350 -0.948 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166627177 820009316 /nfs/dbraw/zinc/00/93/16/820009316.db2.gz RNHLNXKYTXYUTC-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001166626462 820010909 /nfs/dbraw/zinc/01/09/09/820010909.db2.gz GTVUJBJUUCRWRR-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166678135 820013095 /nfs/dbraw/zinc/01/30/95/820013095.db2.gz SWAWYXZQWSGAAD-QWHCGFSZSA-N 2 0 287.404 -0.569 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]Cc2ncnn2C)C1 ZINC001166667678 820014047 /nfs/dbraw/zinc/01/40/47/820014047.db2.gz GSEKXBGFXSVZKP-LBPRGKRZSA-N 2 0 294.403 -0.247 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001166690573 820015371 /nfs/dbraw/zinc/01/53/71/820015371.db2.gz DFYQQELNQIGOEW-VXGBXAGGSA-N 2 0 284.404 -0.632 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166678458 820015565 /nfs/dbraw/zinc/01/55/65/820015565.db2.gz VOBFFLPUJUYUHJ-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(N)=O ZINC001166678516 820016368 /nfs/dbraw/zinc/01/63/68/820016368.db2.gz WAJOAFPCXOWWHH-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166678455 820016423 /nfs/dbraw/zinc/01/64/23/820016423.db2.gz VOBFFLPUJUYUHJ-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCCO ZINC001166691825 820016830 /nfs/dbraw/zinc/01/68/30/820016830.db2.gz NZKQTQJOBZRHGU-RYUDHWBXSA-N 2 0 257.378 -0.338 20 0 CBADRP CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166692817 820017466 /nfs/dbraw/zinc/01/74/66/820017466.db2.gz QEUHINLTEVVJSU-CHWSQXEVSA-N 2 0 298.431 -0.194 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001166709432 820019302 /nfs/dbraw/zinc/01/93/02/820019302.db2.gz ZSDFDRXFKIMRLY-MNOVXSKESA-N 2 0 295.391 -0.996 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001166709436 820019707 /nfs/dbraw/zinc/01/97/07/820019707.db2.gz ZSDFDRXFKIMRLY-WDEREUQCSA-N 2 0 295.391 -0.996 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001166857730 820042090 /nfs/dbraw/zinc/04/20/90/820042090.db2.gz ILLWELKRHKPNGV-NSHDSACASA-N 2 0 272.393 -0.441 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001166858688 820042332 /nfs/dbraw/zinc/04/23/32/820042332.db2.gz XHMUIXKWOZCEEP-NSHDSACASA-N 2 0 282.392 -0.249 20 0 CBADRP [NH3+]C[C@H]1CN(c2ccc(N3CC[NH2+]CC3)cn2)CCO1 ZINC001166940255 820049849 /nfs/dbraw/zinc/04/98/49/820049849.db2.gz ZNJBHFNLANGITC-ZDUSSCGKSA-N 2 0 277.372 -0.345 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001167236108 820076970 /nfs/dbraw/zinc/07/69/70/820076970.db2.gz HVGLBJMAMZXZBS-RYUDHWBXSA-N 2 0 296.415 -0.455 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001167236109 820077050 /nfs/dbraw/zinc/07/70/50/820077050.db2.gz HVGLBJMAMZXZBS-VXGBXAGGSA-N 2 0 296.415 -0.455 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1-c1cccnc1OC1C[NH2+]C1 ZINC001167677364 820108976 /nfs/dbraw/zinc/10/89/76/820108976.db2.gz ORNARKSCVVQTSW-UHFFFAOYSA-N 2 0 286.339 -0.136 20 0 CBADRP [NH3+]CCc1ccn(-c2nccnc2N2CC[NH2+]CC2)n1 ZINC001167726375 820113517 /nfs/dbraw/zinc/11/35/17/820113517.db2.gz DGYSVJAIMSJOPI-UHFFFAOYSA-N 2 0 273.344 -0.427 20 0 CBADRP CS(=O)(=O)c1ccnc(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001167877894 820124598 /nfs/dbraw/zinc/12/45/98/820124598.db2.gz LJYOPRHFSIADCA-UHFFFAOYSA-N 2 0 286.361 -0.445 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(N2CCOCC2)nn1 ZINC001167879692 820124928 /nfs/dbraw/zinc/12/49/28/820124928.db2.gz NNBLPMKTTJOCHO-UHFFFAOYSA-N 2 0 293.375 -0.012 20 0 CBADRP NC(=O)c1cc(NC(=[NH2+])NCCCC[NH3+])ncn1 ZINC001167880166 820125633 /nfs/dbraw/zinc/12/56/33/820125633.db2.gz AEPZWEHTARRQPC-UHFFFAOYSA-N 2 0 251.294 -0.749 20 0 CBADRP COC(=O)[C@@H](CCC[NH3+])Nc1ncnc2c1C[NH2+]CC2 ZINC001167895338 820126371 /nfs/dbraw/zinc/12/63/71/820126371.db2.gz JKBDBCOUVAIGNX-LLVKDONJSA-N 2 0 279.344 -0.185 20 0 CBADRP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168029182 820138897 /nfs/dbraw/zinc/13/88/97/820138897.db2.gz DHXXYVQYPDDKFV-RYUDHWBXSA-N 2 0 282.388 -0.416 20 0 CBADRP [NH3+]Cc1cnn(-c2nccc(N3CC[NH2+]CC3)n2)c1 ZINC001168253853 820152677 /nfs/dbraw/zinc/15/26/77/820152677.db2.gz CLXUMIUHXUHJGB-UHFFFAOYSA-N 2 0 259.317 -0.469 20 0 CBADRP C[C@@H]1CN(c2ccc(-n3cc(C[NH3+])cn3)nn2)CC[NH2+]1 ZINC001168257280 820153395 /nfs/dbraw/zinc/15/33/95/820153395.db2.gz QYUHCNINOUWMJY-SNVBAGLBSA-N 2 0 273.344 -0.081 20 0 CBADRP C[NH+](C)C1CCC([NH2+]CCN(CC[NH3+])N(O)N=O)CC1 ZINC001168304695 820156076 /nfs/dbraw/zinc/15/60/76/820156076.db2.gz ABNDECXIOZJBAP-UHFFFAOYSA-N 3 0 288.396 -0.003 20 0 CBADRP C[N@@H+]1CCc2ncnc(-n3ccnc3C(N)=[NH2+])c2C1 ZINC001168409668 820160100 /nfs/dbraw/zinc/16/01/00/820160100.db2.gz GZPVAZPXASKUHE-UHFFFAOYSA-N 2 0 257.301 -0.066 20 0 CBADRP C[NH2+]Cc1cc(NC(=[NH2+])N2CCN(C)CC2)ncn1 ZINC001168735291 820169235 /nfs/dbraw/zinc/16/92/35/820169235.db2.gz MKBHKIBUAKIZOA-UHFFFAOYSA-N 2 0 263.349 -0.210 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]Cc1ncnn1C ZINC001168756032 820176160 /nfs/dbraw/zinc/17/61/60/820176160.db2.gz UAWASAFHVNDZGB-UHFFFAOYSA-N 2 0 282.392 -0.247 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]Cc1nnnn1C ZINC001168756117 820176256 /nfs/dbraw/zinc/17/62/56/820176256.db2.gz VDFZZNXRHIDQSJ-UHFFFAOYSA-N 2 0 283.380 -0.852 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]C[C@H](O)COC ZINC001168755722 820176706 /nfs/dbraw/zinc/17/67/06/820176706.db2.gz QWHYJMZOWBKDQA-LBPRGKRZSA-N 2 0 275.393 -0.569 20 0 CBADRP [NH3+][C@@H]1CCc2nn(-c3nccc(N4CC[NH2+]CC4)n3)cc2C1 ZINC001168808712 820184304 /nfs/dbraw/zinc/18/43/04/820184304.db2.gz NEYBMQIYGFASLI-GFCCVEGCSA-N 2 0 299.382 -0.112 20 0 CBADRP [NH3+]Cc1nnnn1-c1ccc2c(C3C[NH2+]C3)ncn2c1 ZINC001168920703 820193074 /nfs/dbraw/zinc/19/30/74/820193074.db2.gz VMZSCQHTNZQOTE-UHFFFAOYSA-N 2 0 270.300 -0.545 20 0 CBADRP C[C@@H]1CN(c2ccc(-n3cc(CC[NH3+])cn3)nn2)CC[NH2+]1 ZINC001168949282 820195864 /nfs/dbraw/zinc/19/58/64/820195864.db2.gz YDSGBIMLUHVUGF-LLVKDONJSA-N 2 0 287.371 -0.038 20 0 CBADRP Cc1nc(CC[NH3+])nn1-c1ccc2c(n1)OCC[NH2+]C2 ZINC001168985693 820198591 /nfs/dbraw/zinc/19/85/91/820198591.db2.gz PISCBVJBBGOEMP-UHFFFAOYSA-N 2 0 274.328 -0.046 20 0 CBADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCCC[NH+](CCO)CCO)C2 ZINC001169094530 820206674 /nfs/dbraw/zinc/20/66/74/820206674.db2.gz METFKYJRQBPNFX-QKDCVEJESA-N 3 0 285.432 -0.122 20 0 CBADRP COC(=O)[C@H](C[NH3+])CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169099724 820207511 /nfs/dbraw/zinc/20/75/11/820207511.db2.gz UHHRFPXBMUPYBV-WISYIIOYSA-N 2 0 255.362 -0.051 20 0 CBADRP CCOC(=O)CNC(=O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169099993 820207703 /nfs/dbraw/zinc/20/77/03/820207703.db2.gz YSPACQAZQMWWQQ-ZSBIGDGJSA-N 2 0 283.372 -0.120 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169127016 820211207 /nfs/dbraw/zinc/21/12/07/820211207.db2.gz GBMSNFXWMMSHMU-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP CC[NH+]1CCC(N(C2C[NH2+]C2)S(C)(=O)=O)CC1 ZINC001169266651 820218232 /nfs/dbraw/zinc/21/82/32/820218232.db2.gz ZXXSTZDHQRJNIV-UHFFFAOYSA-N 2 0 261.391 -0.296 20 0 CBADRP [NH3+]Cc1cnnn1-c1ccc2nc([C@@H]3CC[NH2+]C3)nn2c1 ZINC001169312025 820227671 /nfs/dbraw/zinc/22/76/71/820227671.db2.gz YJFWWFXCYBMEPD-SECBINFHSA-N 2 0 284.327 -0.154 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCN2CC[NH+](C)CC2)CO1 ZINC001169312666 820227888 /nfs/dbraw/zinc/22/78/88/820227888.db2.gz DEOJJFSXDNMDOM-KGLIPLIRSA-N 2 0 299.415 -0.066 20 0 CBADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](C[NH3+])C(=O)OC ZINC001169435730 820244836 /nfs/dbraw/zinc/24/48/36/820244836.db2.gz SNIASBBEBTYPFA-QWRGUYRKSA-N 2 0 273.377 -0.029 20 0 CBADRP COCC[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169531767 820251192 /nfs/dbraw/zinc/25/11/92/820251192.db2.gz TVZWZJQHRSHRGB-UHFFFAOYSA-N 2 0 287.404 -0.161 20 0 CBADRP CC(=O)N1CCC[C@H]([NH2+]CCN2CC[NH+](C)CC2)C1 ZINC001169570838 820257498 /nfs/dbraw/zinc/25/74/98/820257498.db2.gz WNNFKHOPHRTWEV-AWEZNQCLSA-N 2 0 268.405 -0.166 20 0 CBADRP CS(=O)(=O)C1CCC([NH2+]CCOCC[NH3+])CC1 ZINC001169856887 820266576 /nfs/dbraw/zinc/26/65/76/820266576.db2.gz GKSICBZODUGKSF-UHFFFAOYSA-N 2 0 264.391 -0.093 20 0 CBADRP [NH3+]C1CCN(c2nccc(NC[C@@H]3COCC[NH2+]3)n2)CC1 ZINC001170035816 820274291 /nfs/dbraw/zinc/27/42/91/820274291.db2.gz PRSBRACIATUQJT-GFCCVEGCSA-N 2 0 292.387 -0.196 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001170212437 820279936 /nfs/dbraw/zinc/27/99/36/820279936.db2.gz YOWVFHPGPFDUCN-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001170211105 820279968 /nfs/dbraw/zinc/27/99/68/820279968.db2.gz JOZYPTCAADYBKB-UHFFFAOYSA-N 2 0 272.393 -0.488 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001170211065 820280303 /nfs/dbraw/zinc/28/03/03/820280303.db2.gz HTJZWPRUODUERS-UHFFFAOYSA-N 2 0 282.392 -0.247 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001170221475 820281388 /nfs/dbraw/zinc/28/13/88/820281388.db2.gz BJIFFDQISVXASX-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP CN(CC[NH3+])CCNc1nccnc1N1CC[NH2+]CC1 ZINC001170497034 820294871 /nfs/dbraw/zinc/29/48/71/820294871.db2.gz BSJBQKOFKJAPHC-UHFFFAOYSA-N 2 0 279.392 -0.811 20 0 CBADRP [NH3+]CCOCCOCCNc1cc(C[NH3+])ccn1 ZINC001170505323 820297657 /nfs/dbraw/zinc/29/76/57/820297657.db2.gz KNVAZLWDFNZFAV-UHFFFAOYSA-N 2 0 254.334 -0.056 20 0 CBADRP C[C@H](Nc1ncc2c(n1)C[NH2+]CC2)[C@@H]1C[NH2+]CCO1 ZINC001170566147 820305362 /nfs/dbraw/zinc/30/53/62/820305362.db2.gz XIEVDCIJMRTKFB-CABZTGNLSA-N 2 0 263.345 -0.089 20 0 CBADRP CSc1nc(N[C@@H]2C[NH2+]C[C@H]2CO)cc(C2C[NH2+]C2)n1 ZINC001170772203 820316191 /nfs/dbraw/zinc/31/61/91/820316191.db2.gz BNIRNFOUANRADC-GXSJLCMTSA-N 2 0 295.412 -0.123 20 0 CBADRP OC[C@H]1C[NH2+]C[C@@H]1Nc1ncccc1N1CC[NH2+]CC1 ZINC001170772345 820316285 /nfs/dbraw/zinc/31/62/85/820316285.db2.gz CFHHNABWRKTDQQ-NEPJUHHUSA-N 2 0 277.372 -0.517 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@H]1Nc1ccc2c(n1)OCC[NH2+]C2 ZINC001170772712 820317130 /nfs/dbraw/zinc/31/71/30/820317130.db2.gz DJLNBYJZBNIFRM-WDEREUQCSA-N 2 0 264.329 -0.444 20 0 CBADRP [NH3+]C1CCN(c2cncc(N[C@@H]3C[NH2+]C[C@H]3CO)n2)CC1 ZINC001170776858 820319236 /nfs/dbraw/zinc/31/92/36/820319236.db2.gz PMODETUIXULSRK-CMPLNLGQSA-N 2 0 292.387 -0.604 20 0 CBADRP COC(=O)Cc1cc(N[C@@H]2C[NH2+]C[C@H]2CO)cc[nH+]1 ZINC001170780538 820322422 /nfs/dbraw/zinc/32/24/22/820322422.db2.gz GSADYLMTWXWMEN-JOYOIKCWSA-N 2 0 265.313 -0.211 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@@H]1Nc1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001170780237 820323092 /nfs/dbraw/zinc/32/30/92/820323092.db2.gz LUAKKYGWAAOTIC-WCQGTBRESA-N 2 0 279.344 -0.791 20 0 CBADRP CS(=O)(=O)c1ccnc(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001170897416 820332210 /nfs/dbraw/zinc/33/22/10/820332210.db2.gz HFOHFKHYNGGKEJ-SECBINFHSA-N 2 0 258.347 -0.079 20 0 CBADRP NC(=O)c1c[nH]c2ncnc(N[C@H]([NH3+])CCC[NH3+])c12 ZINC001170896333 820332636 /nfs/dbraw/zinc/33/26/36/820332636.db2.gz FEWMGABLUYIYBS-ZETCQYMHSA-N 2 0 263.305 -0.508 20 0 CBADRP CN1CC(=O)Nc2ccc(N[C@H]([NH3+])CCC[NH3+])nc21 ZINC001170899504 820334493 /nfs/dbraw/zinc/33/44/93/820334493.db2.gz ZXGVLVMBIRKZRU-VIFPVBQESA-N 2 0 264.333 -0.095 20 0 CBADRP CS(=O)(=O)c1cncc(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001170900410 820334567 /nfs/dbraw/zinc/33/45/67/820334567.db2.gz TYRRJJRXWPKPIT-JTQLQIEISA-N 2 0 258.347 -0.079 20 0 CBADRP CCOC(=O)CN(CC[NH3+])c1cccnc1OC1C[NH2+]C1 ZINC001170996651 820343406 /nfs/dbraw/zinc/34/34/06/820343406.db2.gz XWCKULQGDYHFNL-UHFFFAOYSA-N 2 0 294.355 -0.240 20 0 CBADRP CCOC(=O)CN(CC[NH3+])c1ccc(OC2C[NH2+]C2)cn1 ZINC001170995811 820344111 /nfs/dbraw/zinc/34/41/11/820344111.db2.gz COOUFHFFFNXIOP-UHFFFAOYSA-N 2 0 294.355 -0.240 20 0 CBADRP CO[C@H](C)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171205175 820348503 /nfs/dbraw/zinc/34/85/03/820348503.db2.gz PIYJYZUBOXRQCM-GFCCVEGCSA-N 2 0 275.393 -0.305 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171160217 820348852 /nfs/dbraw/zinc/34/88/52/820348852.db2.gz CQCUHABCIUOAAO-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001171160673 820349871 /nfs/dbraw/zinc/34/98/71/820349871.db2.gz IEQYXAIDNQMYLY-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171215393 820350476 /nfs/dbraw/zinc/35/04/76/820350476.db2.gz BTRVIYCUKRWBFD-LBPRGKRZSA-N 2 0 284.404 -0.440 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001171227032 820350695 /nfs/dbraw/zinc/35/06/95/820350695.db2.gz LVJNEEUXJNYTDH-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171227293 820351726 /nfs/dbraw/zinc/35/17/26/820351726.db2.gz NIUHNJWMMIRZFW-NEPJUHHUSA-N 2 0 257.378 -0.195 20 0 CBADRP COCCOCC[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171292929 820356021 /nfs/dbraw/zinc/35/60/21/820356021.db2.gz AGGQNCYMKVAHBU-UHFFFAOYSA-N 2 0 299.415 -0.159 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001171757028 820369097 /nfs/dbraw/zinc/36/90/97/820369097.db2.gz FMCDGXNWCWMOLM-UHFFFAOYSA-N 2 0 298.391 -0.954 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1nnnn1C ZINC001171725199 820370623 /nfs/dbraw/zinc/37/06/23/820370623.db2.gz IEBFGDYWAHZJMA-UHFFFAOYSA-N 2 0 297.407 -0.462 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001171757983 820370703 /nfs/dbraw/zinc/37/07/03/820370703.db2.gz RRMPEGLVXIFNHL-UHFFFAOYSA-N 2 0 282.392 -0.247 20 0 CBADRP CCN1CC[C@@H](NC(=[NH2+])NCCCC[NH3+])CC1=O ZINC001172025625 820377934 /nfs/dbraw/zinc/37/79/34/820377934.db2.gz CNPQNSPUKAXMTP-SNVBAGLBSA-N 2 0 255.366 -0.150 20 0 CBADRP COC(=O)[C@@H](C[NH3+])C[NH2+]C1C[C@@H]2COC[C@H](C1)N2C ZINC001172125657 820382544 /nfs/dbraw/zinc/38/25/44/820382544.db2.gz AJRCVBFTKVYRBB-YEJSDXFRSA-N 2 0 271.361 -0.815 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])N[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172149240 820384658 /nfs/dbraw/zinc/38/46/58/820384658.db2.gz FTSWSFKDZKTVEE-MNOVXSKESA-N 2 0 267.377 -0.007 20 0 CBADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172164533 820388993 /nfs/dbraw/zinc/38/89/93/820388993.db2.gz BMLRAKLYJWWNDO-MXWKQRLJSA-N 2 0 269.345 -0.523 20 0 CBADRP COCCC[NH+]1CCC(NS(=O)(=O)CC[NH3+])CC1 ZINC001172244758 820392757 /nfs/dbraw/zinc/39/27/57/820392757.db2.gz XHNQOMADQZKFFW-UHFFFAOYSA-N 2 0 279.406 -0.635 20 0 CBADRP COCCC[NH+]1CCC([NH2+]C[C@H]2CC(=O)NC2=O)CC1 ZINC001172248113 820393320 /nfs/dbraw/zinc/39/33/20/820393320.db2.gz XYECTSNZDBJCEQ-LLVKDONJSA-N 2 0 283.372 -0.260 20 0 CBADRP COCCC[NH+]1CCC(N(C)S(=O)(=O)CC[NH3+])CC1 ZINC001172244615 820393619 /nfs/dbraw/zinc/39/36/19/820393619.db2.gz VYDJDJQENYEHQD-UHFFFAOYSA-N 2 0 293.433 -0.292 20 0 CBADRP COc1cccc2c1C[C@H]([NH2+]C[C@@H](O)C[NH3+])CO2 ZINC001173146018 820400145 /nfs/dbraw/zinc/40/01/45/820400145.db2.gz UWSKCISQFVTEQI-UWVGGRQHSA-N 2 0 252.314 -0.092 20 0 CBADRP CC[N@@H+]1CC[C@@H](N2CCN(C)C[C@H]2C(=O)OC)C1 ZINC001173369943 820402009 /nfs/dbraw/zinc/40/20/09/820402009.db2.gz BXQUCTJZJARYIS-NEPJUHHUSA-N 2 0 255.362 -0.130 20 0 CBADRP CC[N@@H+]1CC[C@H](N2CCN(C)C[C@@H]2C(=O)OC)C1 ZINC001173369946 820402309 /nfs/dbraw/zinc/40/23/09/820402309.db2.gz BXQUCTJZJARYIS-NWDGAFQWSA-N 2 0 255.362 -0.130 20 0 CBADRP C[NH+]1CCN(CC[NH2+][C@@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173730925 820408504 /nfs/dbraw/zinc/40/85/04/820408504.db2.gz QPEMEAHJLKKOON-ZIAGYGMSSA-N 2 0 293.419 -0.006 20 0 CBADRP C[NH+]1CCN(CC[NH2+][C@@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173730920 820409344 /nfs/dbraw/zinc/40/93/44/820409344.db2.gz QPEMEAHJLKKOON-KGLIPLIRSA-N 2 0 293.419 -0.006 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176058646 820437639 /nfs/dbraw/zinc/43/76/39/820437639.db2.gz ZMJPOBIGZPLAOK-ZDUSSCGKSA-N 2 0 298.431 -0.194 20 0 CBADRP Cn1cncc1C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176071838 820438164 /nfs/dbraw/zinc/43/81/64/820438164.db2.gz IZEABAHREKXRGN-LBPRGKRZSA-N 2 0 279.388 -0.032 20 0 CBADRP CN(C(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001176072522 820438233 /nfs/dbraw/zinc/43/82/33/820438233.db2.gz XFNCOSNWZCKISE-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CCn1ncnc1C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176071588 820438430 /nfs/dbraw/zinc/43/84/30/820438430.db2.gz GGCCHBOZFXTKGJ-GFCCVEGCSA-N 2 0 294.403 -0.154 20 0 CBADRP Cc1nonc1C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176072552 820438605 /nfs/dbraw/zinc/43/86/05/820438605.db2.gz YAARTMHBZKXLAD-LLVKDONJSA-N 2 0 281.360 -0.074 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176102066 820440312 /nfs/dbraw/zinc/44/03/12/820440312.db2.gz AKPZPRIFAVPOTK-UHFFFAOYSA-N 2 0 270.377 -0.686 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001176110402 820441317 /nfs/dbraw/zinc/44/13/17/820441317.db2.gz NYRSAGDWVKADFN-NSHDSACASA-N 2 0 270.377 -0.558 20 0 CBADRP CS(=O)(=O)CC[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176102542 820441334 /nfs/dbraw/zinc/44/13/34/820441334.db2.gz GTPCJXHESCFFFH-UHFFFAOYSA-N 2 0 291.417 -0.777 20 0 CBADRP O=C(C[NH+]1CCCC1)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001176103290 820441396 /nfs/dbraw/zinc/44/13/96/820441396.db2.gz VRDNKSQGZBGWIL-GFCCVEGCSA-N 2 0 282.388 -0.543 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C[NH+]1CCCC1)C(=O)N(C)C ZINC001176109683 820441759 /nfs/dbraw/zinc/44/17/59/820441759.db2.gz CEFPAPJJWLMOCY-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001176845400 820470071 /nfs/dbraw/zinc/47/00/71/820470071.db2.gz RWYIBEBQZKRUJN-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001176971504 820484312 /nfs/dbraw/zinc/48/43/12/820484312.db2.gz AJBDGZTZMQRKRP-LBPRGKRZSA-N 2 0 284.404 -0.299 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176980528 820484386 /nfs/dbraw/zinc/48/43/86/820484386.db2.gz IXYYISDQBLNTIP-UHFFFAOYSA-N 2 0 286.420 -0.099 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001176986369 820484899 /nfs/dbraw/zinc/48/48/99/820484899.db2.gz LXTLQKDUROQENI-LLVKDONJSA-N 2 0 270.377 -0.558 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001176974799 820485027 /nfs/dbraw/zinc/48/50/27/820485027.db2.gz AYQCHWOSGKGXCH-LBPRGKRZSA-N 2 0 284.404 -0.347 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176972270 820485505 /nfs/dbraw/zinc/48/55/05/820485505.db2.gz UGJWPODIWBSZAE-LBPRGKRZSA-N 2 0 275.393 -0.570 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176997033 820487317 /nfs/dbraw/zinc/48/73/17/820487317.db2.gz GHBLURMZSCVHNA-CQSZACIVSA-N 2 0 298.431 -0.051 20 0 CBADRP Cc1ccn(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])n1 ZINC001177065384 820490855 /nfs/dbraw/zinc/49/08/55/820490855.db2.gz YBSONUXOYATTRI-UHFFFAOYSA-N 2 0 252.322 -0.348 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178356112 820576570 /nfs/dbraw/zinc/57/65/70/820576570.db2.gz IDFIBRJZRMZGSP-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCC[NH+](C)C ZINC001179435083 820627229 /nfs/dbraw/zinc/62/72/29/820627229.db2.gz ITNRLKKMJSFJBG-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H]1[C@@H]([NH2+][C@@H]2CCN(C)C2=O)CCN1C(=O)CC[NH+](C)C ZINC001179486885 820629786 /nfs/dbraw/zinc/62/97/86/820629786.db2.gz UBTJHHUVTVCWAG-RWMBFGLXSA-N 2 0 296.415 -0.252 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)CC[NH+](C)C ZINC001179485927 820630832 /nfs/dbraw/zinc/63/08/32/820630832.db2.gz FEJGQAGBLGLCOA-STQMWFEESA-N 2 0 294.403 -0.191 20 0 CBADRP C[C@H]1[C@@H]([NH2+][C@@H]2CCCNC2=O)CCN1C(=O)CC[NH+](C)C ZINC001179481943 820630868 /nfs/dbraw/zinc/63/08/68/820630868.db2.gz MPHXJOVFHBJYFN-RWMBFGLXSA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124544 820650708 /nfs/dbraw/zinc/65/07/08/820650708.db2.gz IMVWINJSNSFMFO-TUAOUCFPSA-N 2 0 282.388 -0.737 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124379 820651097 /nfs/dbraw/zinc/65/10/97/820651097.db2.gz IKASLLFEXDBKJZ-DGAVXFQQSA-N 2 0 299.415 -0.476 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)[C@@H]1C ZINC001180226844 820655065 /nfs/dbraw/zinc/65/50/65/820655065.db2.gz OVWZGSCCRTZPSQ-WOPDTQHZSA-N 2 0 284.404 -0.221 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C ZINC001180226998 820655124 /nfs/dbraw/zinc/65/51/24/820655124.db2.gz XEGFFZDZBABGIZ-RYUDHWBXSA-N 2 0 257.378 -0.102 20 0 CBADRP CC(C)[NH+]1CCN(CC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC001180351188 820670018 /nfs/dbraw/zinc/67/00/18/820670018.db2.gz RRFXPLSVVNXLOY-LBPRGKRZSA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@@](O)(C(=O)N(CCCC[NH3+])C(N)=[NH2+])C(F)(F)F ZINC001180491265 820681945 /nfs/dbraw/zinc/68/19/45/820681945.db2.gz NAUUVTXIOZQACP-MRVPVSSYSA-N 2 0 270.255 -0.239 20 0 CBADRP C[C@H](C(=O)N(CC[NH3+])S(C)(=O)=O)[NH+]1CCCC1 ZINC001180575582 820695733 /nfs/dbraw/zinc/69/57/33/820695733.db2.gz HSHJSFDKCPDHEP-SECBINFHSA-N 2 0 263.363 -0.782 20 0 CBADRP CC(=O)N1CCC[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001180682717 820709277 /nfs/dbraw/zinc/70/92/77/820709277.db2.gz DOPQULQJUCJVAC-LLVKDONJSA-N 2 0 283.376 -0.294 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)COC(C)=O ZINC001181406870 820785606 /nfs/dbraw/zinc/78/56/06/820785606.db2.gz VHPFYRWBHSFRKQ-UHFFFAOYSA-N 2 0 258.322 -0.387 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccc(=O)[nH]n1 ZINC001181704987 820815812 /nfs/dbraw/zinc/81/58/12/820815812.db2.gz NQGWNEFYCADCPU-ZETCQYMHSA-N 2 0 252.278 -0.635 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ccc(=O)[nH]n1 ZINC001181714503 820816337 /nfs/dbraw/zinc/81/63/37/820816337.db2.gz JDXBYKXFJKAFQE-SECBINFHSA-N 2 0 280.332 -0.033 20 0 CBADRP CC1(C)OC[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])O1 ZINC001181746934 820821994 /nfs/dbraw/zinc/82/19/94/820821994.db2.gz QXELCDFJULNNJI-MRVPVSSYSA-N 2 0 258.322 -0.401 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](C(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001181972736 820843536 /nfs/dbraw/zinc/84/35/36/820843536.db2.gz JEOGQLRXHJQJHM-JTQLQIEISA-N 2 0 277.390 -0.536 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182017543 820849937 /nfs/dbraw/zinc/84/99/37/820849937.db2.gz PTUJLBDPKQWIQX-GFCCVEGCSA-N 2 0 283.372 -0.321 20 0 CBADRP C[NH+]1CCC(O)(C(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC001182033640 820856865 /nfs/dbraw/zinc/85/68/65/820856865.db2.gz NLOIKPGZLNHVQE-UHFFFAOYSA-N 2 0 267.373 -0.250 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]1C(N)=O ZINC001182377280 820904433 /nfs/dbraw/zinc/90/44/33/820904433.db2.gz PSHYXHHJXIHSGI-CHWSQXEVSA-N 2 0 298.431 -0.160 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183268854 820986129 /nfs/dbraw/zinc/98/61/29/820986129.db2.gz YWGHWBIZANOMDR-YPMHNXCESA-N 2 0 282.388 -0.737 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001183374695 820992957 /nfs/dbraw/zinc/99/29/57/820992957.db2.gz XQXUCQDFOPWALT-AOOOYVTPSA-N 3 0 255.366 -0.212 20 0 CBADRP C[NH+](C)[C@@H]1C[C@H](C(=O)NC2(CO)CC[NH+](C)CC2)C1 ZINC001183379195 820993077 /nfs/dbraw/zinc/99/30/77/820993077.db2.gz FVKZSOOCIWQYNF-TXEJJXNPSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001183581504 821007244 /nfs/dbraw/zinc/00/72/44/821007244.db2.gz LDKFONCWFIOSNH-GHMZBOCLSA-N 2 0 270.377 -0.737 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001183759571 821032606 /nfs/dbraw/zinc/03/26/06/821032606.db2.gz MLXZSJNROOBNEF-NEPJUHHUSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001183758992 821033007 /nfs/dbraw/zinc/03/30/07/821033007.db2.gz DIGHZXITJVLPFO-GHMZBOCLSA-N 2 0 284.404 -0.219 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C1(CO)COC1 ZINC001184047804 821050555 /nfs/dbraw/zinc/05/05/55/821050555.db2.gz GSRHUIKRKIVJRD-UHFFFAOYSA-N 2 0 272.349 -0.941 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cncc2C)C1 ZINC001184300661 821067353 /nfs/dbraw/zinc/06/73/53/821067353.db2.gz HWMVIPOCKFPVJX-GFCCVEGCSA-N 2 0 293.371 -0.482 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001184961898 821093448 /nfs/dbraw/zinc/09/34/48/821093448.db2.gz JIYGBJPHAUPCJE-XQQFMLRXSA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001184961896 821093699 /nfs/dbraw/zinc/09/36/99/821093699.db2.gz JIYGBJPHAUPCJE-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185238158 821103401 /nfs/dbraw/zinc/10/34/01/821103401.db2.gz BAJHSVWRJJFHMC-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185248248 821109869 /nfs/dbraw/zinc/10/98/69/821109869.db2.gz AFNXMHNLMSDQND-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001185262586 821117091 /nfs/dbraw/zinc/11/70/91/821117091.db2.gz OBIQGOJMFRSNSI-NSHDSACASA-N 2 0 278.360 -0.984 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(=O)N(C)C ZINC001185264115 821117217 /nfs/dbraw/zinc/11/72/17/821117217.db2.gz AMJDGYPJUBNQEB-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)NCC[C@H]1CCC[NH+]1C ZINC001185262388 821117246 /nfs/dbraw/zinc/11/72/46/821117246.db2.gz NKWZUDFSSTWHCG-OLZOCXBDSA-N 2 0 268.405 -0.167 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001185264227 821117289 /nfs/dbraw/zinc/11/72/89/821117289.db2.gz CTQCWCXLSRQGHG-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001185266066 821119021 /nfs/dbraw/zinc/11/90/21/821119021.db2.gz ZASGCOHVSSUYJI-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185265997 821119511 /nfs/dbraw/zinc/11/95/11/821119511.db2.gz WPKALZWSCIMBJJ-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N[C@]1(C)CCC[NH+](C)C1 ZINC001185268596 821121866 /nfs/dbraw/zinc/12/18/66/821121866.db2.gz DTJIODRCVPSIHM-TZMCWYRMSA-N 2 0 268.405 -0.167 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185384330 821127005 /nfs/dbraw/zinc/12/70/05/821127005.db2.gz BNHIORMVQLEVJS-DGCLKSJQSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001185407962 821128498 /nfs/dbraw/zinc/12/84/98/821128498.db2.gz IFRMGIZUDZHHNC-MNOVXSKESA-N 2 0 268.361 -0.983 20 0 CBADRP CCN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185407756 821129301 /nfs/dbraw/zinc/12/93/01/821129301.db2.gz ALZAWANQOUXPQD-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001185650717 821136347 /nfs/dbraw/zinc/13/63/47/821136347.db2.gz LZQOLJGFLVINHK-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP O=C(C[N@H+]1CC[C@H](O)C1)N1CC2(C1)CC[NH+](CC1CC1)C2 ZINC001186036709 821154591 /nfs/dbraw/zinc/15/45/91/821154591.db2.gz CDOAUOWZEHGNEK-AWEZNQCLSA-N 2 0 293.411 -0.003 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001186451751 821182732 /nfs/dbraw/zinc/18/27/32/821182732.db2.gz IUIUJSLYYOLVHB-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001186496327 821184214 /nfs/dbraw/zinc/18/42/14/821184214.db2.gz DVPWCPIYZUQKTQ-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP C[NH+]1CCC(OCC(=O)N2CC[C@@H]([NH2+]CCCO)C2)CC1 ZINC001186621810 821191454 /nfs/dbraw/zinc/19/14/54/821191454.db2.gz AGVSNDMDFGEQKR-CYBMUJFWSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001186824743 821199426 /nfs/dbraw/zinc/19/94/26/821199426.db2.gz JRRWQUCRCXXLPD-SNVBAGLBSA-N 2 0 256.350 -0.996 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001187084067 821211745 /nfs/dbraw/zinc/21/17/45/821211745.db2.gz XGBBXHBTIBFWKK-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001187106425 821212240 /nfs/dbraw/zinc/21/22/40/821212240.db2.gz GWORAJBLWYPWQI-UONOGXRCSA-N 2 0 299.415 -0.208 20 0 CBADRP COCCC[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187106158 821213081 /nfs/dbraw/zinc/21/30/81/821213081.db2.gz CLNYPSMJQUWZIW-CYBMUJFWSA-N 2 0 287.404 -0.208 20 0 CBADRP O=C(N1CC[C@@H]([NH2+]CCCO)C1)C12CC[NH+](CC1)C2 ZINC001187122134 821214329 /nfs/dbraw/zinc/21/43/29/821214329.db2.gz PINCVZFIMCUDQQ-GFCCVEGCSA-N 2 0 267.373 -0.345 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1=CCN(CC(=O)NC)CC1 ZINC001279675822 828333527 /nfs/dbraw/zinc/33/35/27/828333527.db2.gz MWFRTJWMWWKCKL-UHFFFAOYSA-N 2 0 296.415 -0.178 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001187291168 822263354 /nfs/dbraw/zinc/26/33/54/822263354.db2.gz LGUPJUQVGWOBPA-GFCCVEGCSA-N 2 0 294.403 -0.153 20 0 CBADRP CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187826076 822298154 /nfs/dbraw/zinc/29/81/54/822298154.db2.gz USHNAVUFIZQTKX-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP COCCOCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187842059 822301001 /nfs/dbraw/zinc/30/10/01/822301001.db2.gz JODRSALUBADQAM-CQSZACIVSA-N 2 0 299.415 -0.064 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001188138710 822321423 /nfs/dbraw/zinc/32/14/23/822321423.db2.gz ABFFWKQNXKFANK-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCCO ZINC001281457912 828417335 /nfs/dbraw/zinc/41/73/35/828417335.db2.gz MPOHUXVQOFIGMA-STQMWFEESA-N 2 0 281.400 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001281603410 828420643 /nfs/dbraw/zinc/42/06/43/828420643.db2.gz MOQNRAXLDSIAHU-LBPRGKRZSA-N 2 0 285.388 -0.984 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(O)(C[NH2+]CCF)CC2)C1 ZINC001281642431 828421559 /nfs/dbraw/zinc/42/15/59/828421559.db2.gz IVFSFIBUWBSYPR-GFCCVEGCSA-N 2 0 287.379 -0.149 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)CCO ZINC001281956411 828429204 /nfs/dbraw/zinc/42/92/04/828429204.db2.gz DJXVZDBUDNROGB-LBPRGKRZSA-N 2 0 257.378 -0.147 20 0 CBADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)CCO ZINC001282460824 828449496 /nfs/dbraw/zinc/44/94/96/828449496.db2.gz HAOXKYKMJWPGBS-RYUDHWBXSA-N 2 0 257.378 -0.243 20 0 CBADRP CC(C)[C@@H](C(=O)NCCNC(=O)CC[NH+](C)C)[NH+](C)C ZINC001283132684 828498458 /nfs/dbraw/zinc/49/84/58/828498458.db2.gz KWWNALZUYOOVMD-ZDUSSCGKSA-N 2 0 286.420 -0.243 20 0 CBADRP CNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001283259071 828510374 /nfs/dbraw/zinc/51/03/74/828510374.db2.gz FCDFXKWQPMVJMH-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H](CCC[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283279710 828511898 /nfs/dbraw/zinc/51/18/98/828511898.db2.gz YPIQBCUBAOKXCT-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP O=C(NC[C@H](CO)[NH2+]CC1CC1)C12CC[NH+](CC1)C2 ZINC001283815027 828552722 /nfs/dbraw/zinc/55/27/22/828552722.db2.gz BQSIFATVSZSDQC-GFCCVEGCSA-N 2 0 267.373 -0.441 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]CCCF ZINC001283827649 828554652 /nfs/dbraw/zinc/55/46/52/828554652.db2.gz PFCCPOOBUZAGKH-NSHDSACASA-N 2 0 261.341 -0.492 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cn[nH]c(=O)c1 ZINC001191581605 823908008 /nfs/dbraw/zinc/90/80/08/823908008.db2.gz PHQDAXDQLYSXJT-UHFFFAOYSA-N 2 0 280.332 -0.140 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC001192045940 823942278 /nfs/dbraw/zinc/94/22/78/823942278.db2.gz ITCCTMZOHNSWDT-LBPRGKRZSA-N 2 0 257.378 -0.147 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCNC2=O)C1 ZINC001192160839 823953040 /nfs/dbraw/zinc/95/30/40/823953040.db2.gz FMDYXWAYDDOFSA-RYUDHWBXSA-N 2 0 282.388 -0.641 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001192161062 823954155 /nfs/dbraw/zinc/95/41/55/823954155.db2.gz GYFSIQUYONUJHM-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192171837 823954899 /nfs/dbraw/zinc/95/48/99/823954899.db2.gz WUGFAMBAKZNGCA-NWDGAFQWSA-N 2 0 284.404 -0.265 20 0 CBADRP C[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192172157 823955409 /nfs/dbraw/zinc/95/54/09/823955409.db2.gz ZQWXMYDOERPPOT-NWDGAFQWSA-N 2 0 257.378 -0.148 20 0 CBADRP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001193102449 824002536 /nfs/dbraw/zinc/00/25/36/824002536.db2.gz JOUGSGDOCDYJBD-AAVRWANBSA-N 2 0 299.415 -0.476 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@@H]2CCNC2=O)C1 ZINC001193630157 824040089 /nfs/dbraw/zinc/04/00/89/824040089.db2.gz GBBHGRSCPSPHGL-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193765605 824045587 /nfs/dbraw/zinc/04/55/87/824045587.db2.gz DMLQGVBEMMXEQH-YNEHKIRRSA-N 2 0 299.415 -0.333 20 0 CBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193766281 824045609 /nfs/dbraw/zinc/04/56/09/824045609.db2.gz RGLVKSGRXWGINH-MCIONIFRSA-N 2 0 299.415 -0.476 20 0 CBADRP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193792121 824047004 /nfs/dbraw/zinc/04/70/04/824047004.db2.gz XXCXJBFDNSVUDB-UPJWGTAASA-N 2 0 269.389 -0.104 20 0 CBADRP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193892087 824048355 /nfs/dbraw/zinc/04/83/55/824048355.db2.gz DFJNOJGFCBMJFT-MGPQQGTHSA-N 2 0 299.415 -0.332 20 0 CBADRP C[NH+]1CCN(c2cncc(C(=O)N[C@H]3CC[NH2+]C3)c2)CC1 ZINC001193953068 824053674 /nfs/dbraw/zinc/05/36/74/824053674.db2.gz ZLKJTCDLFREITO-ZDUSSCGKSA-N 2 0 289.383 -0.075 20 0 CBADRP CNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194001954 824054423 /nfs/dbraw/zinc/05/44/23/824054423.db2.gz LKZJQUSIRRTDHG-VXGBXAGGSA-N 2 0 282.388 -0.783 20 0 CBADRP CNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194037138 824056232 /nfs/dbraw/zinc/05/62/32/824056232.db2.gz CQGVGFCPFAUBPL-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CCOc1c(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cnn1C ZINC001194379240 824072910 /nfs/dbraw/zinc/07/29/10/824072910.db2.gz WMDCJSWWGVAKBE-UHFFFAOYSA-N 2 0 282.348 -0.107 20 0 CBADRP Cc1cnn(C)c1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001195522076 824120757 /nfs/dbraw/zinc/12/07/57/824120757.db2.gz ICINTCSYWGTTLE-UHFFFAOYSA-N 2 0 252.322 -0.197 20 0 CBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195700386 824128026 /nfs/dbraw/zinc/12/80/26/824128026.db2.gz CWCVHQMHEVNCBT-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195701938 824128039 /nfs/dbraw/zinc/12/80/39/824128039.db2.gz UTTTZWRGNLCLJX-JHJVBQTASA-N 2 0 287.404 -0.476 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1CN(CCF)C[C@H]1O ZINC001195702123 824128055 /nfs/dbraw/zinc/12/80/55/824128055.db2.gz ZDJRFLUOFHXNNN-GHMZBOCLSA-N 2 0 261.341 -0.541 20 0 CBADRP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708461 824129060 /nfs/dbraw/zinc/12/90/60/824129060.db2.gz OLUUULXSUKEBPF-VXGBXAGGSA-N 2 0 257.378 -0.102 20 0 CBADRP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708616 824130128 /nfs/dbraw/zinc/13/01/28/824130128.db2.gz PTGRRAKHQHYOLJ-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195870067 824135638 /nfs/dbraw/zinc/13/56/38/824135638.db2.gz HQINUROCFRLNHG-CHWSQXEVSA-N 2 0 287.404 -0.476 20 0 CBADRP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196252313 824155936 /nfs/dbraw/zinc/15/59/36/824155936.db2.gz XSKBEGJXTMTXFV-FRRDWIJNSA-N 2 0 287.404 -0.476 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCC[N@H+](CCO)CC2)CC1 ZINC001196943539 824173413 /nfs/dbraw/zinc/17/34/13/824173413.db2.gz PRGSHJLJHAQEET-UHFFFAOYSA-N 2 0 269.389 -0.145 20 0 CBADRP COC(=O)c1cc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])ccn1 ZINC001197053862 824176450 /nfs/dbraw/zinc/17/64/50/824176450.db2.gz FPPRNFSPSNSUSO-UHFFFAOYSA-N 2 0 293.327 -0.057 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](C)OC)C[C@H]1O ZINC001197058426 824177501 /nfs/dbraw/zinc/17/75/01/824177501.db2.gz SSPGBDHETLTRQZ-YNEHKIRRSA-N 2 0 287.404 -0.476 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC)C[C@H]1O ZINC001197492862 824192876 /nfs/dbraw/zinc/19/28/76/824192876.db2.gz AKDYZTHWNIHKSV-VXGBXAGGSA-N 2 0 273.377 -0.864 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC[NH+](CCO)CC1 ZINC001197691394 824198694 /nfs/dbraw/zinc/19/86/94/824198694.db2.gz HJEYBTGWJIMDAI-UHFFFAOYSA-N 2 0 257.378 -0.145 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCCN([C@H](C)C(=O)NC)CC1 ZINC001197705604 824199067 /nfs/dbraw/zinc/19/90/67/824199067.db2.gz BCDPVFFSSUTZDX-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCCN([C@@H]2CCNC2=O)CC1 ZINC001197914515 824209853 /nfs/dbraw/zinc/20/98/53/824209853.db2.gz UASCTLASADJUED-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001198038057 824214570 /nfs/dbraw/zinc/21/45/70/824214570.db2.gz IHMAZKWOOMEXQE-CHWSQXEVSA-N 2 0 287.404 -0.738 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCOC)C[C@H]1O ZINC001198029134 824214672 /nfs/dbraw/zinc/21/46/72/824214672.db2.gz NLXLYPBQZJBIMS-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cncn1CCF ZINC001198040535 824215374 /nfs/dbraw/zinc/21/53/74/824215374.db2.gz ZLSLHCISGKNLIB-UHFFFAOYSA-N 2 0 270.312 -0.073 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC)C[C@H]1O ZINC001198028465 824215770 /nfs/dbraw/zinc/21/57/70/824215770.db2.gz AMBHZFOUEYKIBB-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)COC)C[C@H]1O ZINC001198046384 824216838 /nfs/dbraw/zinc/21/68/38/824216838.db2.gz BZFRNUWDUJDPRO-JHJVBQTASA-N 2 0 287.404 -0.476 20 0 CBADRP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198663191 824234998 /nfs/dbraw/zinc/23/49/98/824234998.db2.gz ZHKPMVDEESNCCV-BFHYXJOUSA-N 2 0 299.415 -0.474 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@H]1O ZINC001199096801 824248175 /nfs/dbraw/zinc/24/81/75/824248175.db2.gz SWVLOJCQQKUVQQ-MGPQQGTHSA-N 2 0 299.415 -0.476 20 0 CBADRP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104824 824248687 /nfs/dbraw/zinc/24/86/87/824248687.db2.gz UTYYPXNHIKHBGI-CHWSQXEVSA-N 2 0 287.404 -0.476 20 0 CBADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cnnn2C)CC1 ZINC001199259453 824258966 /nfs/dbraw/zinc/25/89/66/824258966.db2.gz QVZNQSHCTCTWKO-LBPRGKRZSA-N 2 0 266.393 -0.069 20 0 CBADRP COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001199787739 824287167 /nfs/dbraw/zinc/28/71/67/824287167.db2.gz DAGJCOSOJGTXRQ-ZIAGYGMSSA-N 2 0 299.415 -0.332 20 0 CBADRP CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001199788093 824287722 /nfs/dbraw/zinc/28/77/22/824287722.db2.gz LIFHVCYJKSHQPO-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP COCCC[NH2+]C1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001199943641 824297678 /nfs/dbraw/zinc/29/76/78/824297678.db2.gz NVJYNOAKRHMAHR-AWEZNQCLSA-N 2 0 299.415 -0.066 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201404316 824332424 /nfs/dbraw/zinc/33/24/24/824332424.db2.gz UMIXQRVCDSAKLD-KBPBESRZSA-N 2 0 299.415 -0.330 20 0 CBADRP COCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202056754 824341293 /nfs/dbraw/zinc/34/12/93/824341293.db2.gz BKIBREPMOOSYOB-UONOGXRCSA-N 2 0 299.415 -0.208 20 0 CBADRP CCNC(=O)C[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202316086 824346639 /nfs/dbraw/zinc/34/66/39/824346639.db2.gz MUOVMOORHLMVDN-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC([NH2+]CCn2cncn2)CC1 ZINC001202331398 824346663 /nfs/dbraw/zinc/34/66/63/824346663.db2.gz QTEDNRHNAOZHBT-UHFFFAOYSA-N 2 0 294.403 -0.190 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001202315832 824346670 /nfs/dbraw/zinc/34/66/70/824346670.db2.gz GCLIYCTXKGKVNY-GFCCVEGCSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[C@@H]([NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1)C(N)=O ZINC001202330480 824346692 /nfs/dbraw/zinc/34/66/92/824346692.db2.gz GJYDIHHDMLSCBN-GFCCVEGCSA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202331002 824346743 /nfs/dbraw/zinc/34/67/43/824346743.db2.gz NHXIZDNGDWXKHA-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C[C@H]1CCC(=O)N1 ZINC001202863769 824353805 /nfs/dbraw/zinc/35/38/05/824353805.db2.gz IQYSIBBZVTVKMI-GFCCVEGCSA-N 2 0 256.394 -0.310 20 0 CBADRP C[NH+]1CCN(C2CN(C[C@H]3CCC(=O)N3)C2)CC1 ZINC001202902431 824355325 /nfs/dbraw/zinc/35/53/25/824355325.db2.gz JLRXNNLDPHHALA-LLVKDONJSA-N 2 0 252.362 -0.803 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCC([NH2+]CCO)CC1 ZINC001202990763 824355676 /nfs/dbraw/zinc/35/56/76/824355676.db2.gz CSTSRYYODYYXAO-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001203006407 824356845 /nfs/dbraw/zinc/35/68/45/824356845.db2.gz ZCKDGLBPUWROBK-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001203203122 824360376 /nfs/dbraw/zinc/36/03/76/824360376.db2.gz GYQUJTYICSNDJR-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203791235 824363195 /nfs/dbraw/zinc/36/31/95/824363195.db2.gz FOZVYBUUADLKTA-NEPJUHHUSA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001203925890 824363499 /nfs/dbraw/zinc/36/34/99/824363499.db2.gz XZELSQGHIFNAKO-UHFFFAOYSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H]1C[N@H+](C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)C[C@H]1C[NH3+] ZINC001205131225 824374861 /nfs/dbraw/zinc/37/48/61/824374861.db2.gz UXOVBGJUVMOVGY-FQIARQCESA-N 2 0 286.372 -0.250 20 0 CBADRP [NH3+]C[C@]1(O)CCC[N@H+](CC[C@H]2C[NH2+]CCO2)CC1 ZINC001205209319 824375793 /nfs/dbraw/zinc/37/57/93/824375793.db2.gz IMQISOQGYMHJOS-STQMWFEESA-N 3 0 257.378 -0.459 20 0 CBADRP [NH3+]C[C@H](O)Cc1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001206019498 824391908 /nfs/dbraw/zinc/39/19/08/824391908.db2.gz PJVXTDVICMZLDX-SECBINFHSA-N 2 0 275.312 -0.361 20 0 CBADRP [NH3+][C@@H]1CN(Cc2cccc(N3CC[NH2+]CC3)c2)CC[C@H]1O ZINC001206092766 824393493 /nfs/dbraw/zinc/39/34/93/824393493.db2.gz XUIYEOUVOFAWIO-HZPDHXFCSA-N 2 0 290.411 -0.010 20 0 CBADRP [NH3+]C[C@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001206467896 824400969 /nfs/dbraw/zinc/40/09/69/824400969.db2.gz DAYWXXUYSWXJEK-NWDGAFQWSA-N 2 0 274.328 -0.382 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+]CC(=O)NC)CC1 ZINC001206642150 824404563 /nfs/dbraw/zinc/40/45/63/824404563.db2.gz VCJSLSKIOMZLEX-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206794064 824408304 /nfs/dbraw/zinc/40/83/04/824408304.db2.gz HQKCNGOOGCVJAR-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP CNC(=O)C[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001206928769 824412911 /nfs/dbraw/zinc/41/29/11/824412911.db2.gz IOXUJCXKQFKEEZ-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]CC(N)=O)CC2)C1 ZINC001206928684 824412944 /nfs/dbraw/zinc/41/29/44/824412944.db2.gz FGKGSKXZHBIRRE-GFCCVEGCSA-N 2 0 282.388 -0.748 20 0 CBADRP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001206929214 824413514 /nfs/dbraw/zinc/41/35/14/824413514.db2.gz ZOHFIRSQJIVRAT-DGCLKSJQSA-N 2 0 296.415 -0.360 20 0 CBADRP O=C1COC2(CC[NH+](CC3CC[NH2+]CC3)CC2)CN1 ZINC001207439393 824428122 /nfs/dbraw/zinc/42/81/22/824428122.db2.gz RIARYSBVVAGTIM-UHFFFAOYSA-N 2 0 267.373 -0.033 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207563426 824430560 /nfs/dbraw/zinc/43/05/60/824430560.db2.gz UQJOPFFTQHKBSN-DGCLKSJQSA-N 2 0 269.389 -0.101 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCOCCO)C1 ZINC001207684710 824433876 /nfs/dbraw/zinc/43/38/76/824433876.db2.gz SBBUTQCQXPDVPF-KBPBESRZSA-N 2 0 299.415 -0.330 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCOCCO)C1 ZINC001207684714 824434125 /nfs/dbraw/zinc/43/41/25/824434125.db2.gz SBBUTQCQXPDVPF-UONOGXRCSA-N 2 0 299.415 -0.330 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207688008 824434436 /nfs/dbraw/zinc/43/44/36/824434436.db2.gz KYECMCRLBMCKKT-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070077 824446137 /nfs/dbraw/zinc/44/61/37/824446137.db2.gz CMTHEZJPVRQMKA-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001208337299 824450384 /nfs/dbraw/zinc/45/03/84/824450384.db2.gz IWLKKJMFMQYGAT-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208434948 824453267 /nfs/dbraw/zinc/45/32/67/824453267.db2.gz KUYZOEJGWNUEAT-VXGBXAGGSA-N 2 0 269.389 -0.243 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001208992954 824461195 /nfs/dbraw/zinc/46/11/95/824461195.db2.gz FCCUDBWCQZPXNX-HZSPNIEDSA-N 2 0 299.415 -0.332 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]CCCO)C1 ZINC001209445033 824470559 /nfs/dbraw/zinc/47/05/59/824470559.db2.gz JQJIQCGJFAKSCS-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001209632141 824473868 /nfs/dbraw/zinc/47/38/68/824473868.db2.gz KGGYWLULCDOGAH-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001210217515 824478169 /nfs/dbraw/zinc/47/81/69/824478169.db2.gz JRYHDLGDZZFZHX-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001211286484 824484168 /nfs/dbraw/zinc/48/41/68/824484168.db2.gz UWMKNSCSCKLNHF-LBPRGKRZSA-N 2 0 257.378 -0.101 20 0 CBADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436949 824507924 /nfs/dbraw/zinc/50/79/24/824507924.db2.gz RWKOXPOKYAWVEE-UPJWGTAASA-N 2 0 287.404 -0.620 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1OC ZINC001213671587 824513858 /nfs/dbraw/zinc/51/38/58/824513858.db2.gz NJQODSQAOJOSPV-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638201 824515006 /nfs/dbraw/zinc/51/50/06/824515006.db2.gz CZYXWMLGPMLRKY-ZIAGYGMSSA-N 2 0 299.415 -0.068 20 0 CBADRP COCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929830 824517156 /nfs/dbraw/zinc/51/71/56/824517156.db2.gz MWLYOZCREIMBCQ-CHWSQXEVSA-N 2 0 287.404 -0.212 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214335649 824528719 /nfs/dbraw/zinc/52/87/19/824528719.db2.gz FGOYQPNFTCZKKR-UPJWGTAASA-N 2 0 296.415 -0.395 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001214662050 824535674 /nfs/dbraw/zinc/53/56/74/824535674.db2.gz RMGCMTQRBWKJES-FDYHWXHSSA-N 2 0 296.415 -0.491 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001215460922 824541576 /nfs/dbraw/zinc/54/15/76/824541576.db2.gz JADLTQKHQUBRFW-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001215458725 824542023 /nfs/dbraw/zinc/54/20/23/824542023.db2.gz HIDCCCONDSAWIR-GMTAPVOTSA-N 2 0 270.377 -0.752 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215456148 824542114 /nfs/dbraw/zinc/54/21/14/824542114.db2.gz PKJJPAOANKPJGE-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001215462950 824542205 /nfs/dbraw/zinc/54/22/05/824542205.db2.gz CWGWBJASFGADTE-GRYCIOLGSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)N(C)C ZINC001215463476 824542346 /nfs/dbraw/zinc/54/23/46/824542346.db2.gz YRZFIHDBLJBKLC-FRRDWIJNSA-N 2 0 298.431 -0.149 20 0 CBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001216001665 824544705 /nfs/dbraw/zinc/54/47/05/824544705.db2.gz HQIWXXSXWLHPEZ-JHJVBQTASA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCCO ZINC001216751964 824548686 /nfs/dbraw/zinc/54/86/86/824548686.db2.gz DLJFEEGEINIANQ-JHJVBQTASA-N 2 0 269.389 -0.243 20 0 CBADRP C(O[C@H]1COC2(C[NH2+]C2)C1)[C@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217793054 824560878 /nfs/dbraw/zinc/56/08/78/824560878.db2.gz LXYQSCXORSBSQD-LOWDOPEQSA-N 2 0 268.357 -0.099 20 0 CBADRP C(OC[C@H]1C[NH2+]CCO1)[C@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217822090 824562797 /nfs/dbraw/zinc/56/27/97/824562797.db2.gz KGXBENBJLBDTGN-LOWDOPEQSA-N 2 0 256.346 -0.242 20 0 CBADRP O=C(Nc1cnc2c(c1)COCC2)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218500450 824570127 /nfs/dbraw/zinc/57/01/27/824570127.db2.gz BDIWXMUJDFDAPE-GFCCVEGCSA-N 2 0 288.351 -0.098 20 0 CBADRP COc1nn(C)cc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218503487 824574020 /nfs/dbraw/zinc/57/40/20/824574020.db2.gz BIHCTASLYJTOFA-QMMMGPOBSA-N 2 0 265.317 -0.824 20 0 CBADRP CCOC(=O)c1cc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)[nH]n1 ZINC001218511154 824577198 /nfs/dbraw/zinc/57/71/98/824577198.db2.gz RPSNGQLJJVDIPG-NSHDSACASA-N 2 0 295.343 -0.148 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1n[nH]c(-c2ccncc2)n1 ZINC001218523714 824582106 /nfs/dbraw/zinc/58/21/06/824582106.db2.gz SBIIQXLAGNOQCW-SECBINFHSA-N 2 0 275.316 -0.129 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1cc(=O)[n-]c(Cl)n1 ZINC001218648216 824614238 /nfs/dbraw/zinc/61/42/38/824614238.db2.gz SSAIDWMQOCDDRD-RXMQYKEDSA-N 2 0 259.697 -0.160 20 0 CBADRP Cn1nc2c(c1NC(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CCC2 ZINC001218528196 824584203 /nfs/dbraw/zinc/58/42/03/824584203.db2.gz NFRWAGMEKFVFNY-SNVBAGLBSA-N 2 0 275.356 -0.344 20 0 CBADRP Cn1nc2c(c1NC(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CCC2 ZINC001218528195 824584433 /nfs/dbraw/zinc/58/44/33/824584433.db2.gz NFRWAGMEKFVFNY-JTQLQIEISA-N 2 0 275.356 -0.344 20 0 CBADRP N[C@@]1(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)CCC[NH2+]C1 ZINC001218531764 824585073 /nfs/dbraw/zinc/58/50/73/824585073.db2.gz AZOHDVAIKOCHQE-SDBXPKJASA-N 2 0 295.412 -0.022 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N=c1ncnc2[nH][nH]c(C)c1-2 ZINC001218529985 824585421 /nfs/dbraw/zinc/58/54/21/824585421.db2.gz PKERRMWZTOAUHQ-VIFPVBQESA-N 2 0 291.359 -0.310 20 0 CBADRP N[C@@]1(C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)CCC[NH2+]C1 ZINC001218531762 824585750 /nfs/dbraw/zinc/58/57/50/824585750.db2.gz AZOHDVAIKOCHQE-OQPBUACISA-N 2 0 295.412 -0.022 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218534862 824586038 /nfs/dbraw/zinc/58/60/38/824586038.db2.gz YRBPKOZPTSTPKV-RQJHMYQMSA-N 2 0 270.358 -0.393 20 0 CBADRP COc1cc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)ncn1 ZINC001218538540 824586899 /nfs/dbraw/zinc/58/68/99/824586899.db2.gz NRGLZVLRHALFMC-SNVBAGLBSA-N 2 0 294.359 -0.826 20 0 CBADRP Nc1nonc1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218542052 824587152 /nfs/dbraw/zinc/58/71/52/824587152.db2.gz KZGOGDIRHNYZTM-ZETCQYMHSA-N 2 0 266.305 -0.536 20 0 CBADRP N=c1scc(N)n1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218539907 824587193 /nfs/dbraw/zinc/58/71/93/824587193.db2.gz AIAQJCJCEMNUAR-ZCFIWIBFSA-N 2 0 253.331 -0.940 20 0 CBADRP N=c1scc(N)n1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218540807 824587562 /nfs/dbraw/zinc/58/75/62/824587562.db2.gz IQMOCTYIQGPJFY-YFKPBYRVSA-N 2 0 261.376 -0.729 20 0 CBADRP CCOC(=O)c1n[nH]cc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218549099 824588006 /nfs/dbraw/zinc/58/80/06/824588006.db2.gz FCUFFSBECKYPDY-ZETCQYMHSA-N 2 0 269.305 -0.409 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1nonc1N ZINC001218543582 824589014 /nfs/dbraw/zinc/58/90/14/824589014.db2.gz XEXRASNBRHMZLS-ZETCQYMHSA-N 2 0 256.310 -0.351 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ncnc2[nH]ccc21 ZINC001218559428 824591498 /nfs/dbraw/zinc/59/14/98/824591498.db2.gz OMWCGKKOJUYKLG-QMMMGPOBSA-N 2 0 280.357 -0.084 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccnnc1 ZINC001218569057 824594231 /nfs/dbraw/zinc/59/42/31/824594231.db2.gz RVSBCECGKBIKTQ-NSHDSACASA-N 2 0 264.333 -0.835 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1noc2nccnc12 ZINC001218574295 824598020 /nfs/dbraw/zinc/59/80/20/824598020.db2.gz QGWHVLGKQZGVGF-LURJTMIESA-N 2 0 250.262 -0.378 20 0 CBADRP O=C(Nc1cnc2n[nH]cc2c1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218614747 824603340 /nfs/dbraw/zinc/60/33/40/824603340.db2.gz NQWYLIYYOWFYRV-JTQLQIEISA-N 2 0 272.312 -0.295 20 0 CBADRP Cn1ncc2cc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])cnc21 ZINC001218614999 824605136 /nfs/dbraw/zinc/60/51/36/824605136.db2.gz JXVLOTCERWEMMW-JTQLQIEISA-N 2 0 294.384 -0.074 20 0 CBADRP COC(=O)c1scnc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218624532 824606809 /nfs/dbraw/zinc/60/68/09/824606809.db2.gz LDKGRGSXOKJBNX-LURJTMIESA-N 2 0 272.330 -0.066 20 0 CBADRP Cc1ncc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)nc1C ZINC001218624480 824607585 /nfs/dbraw/zinc/60/75/85/824607585.db2.gz JXKQGOVBVAUWTQ-GFCCVEGCSA-N 2 0 292.387 -0.218 20 0 CBADRP CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])c1nccnc1N ZINC001218623426 824607678 /nfs/dbraw/zinc/60/76/78/824607678.db2.gz MJGIFSJQBYVRCF-VIFPVBQESA-N 2 0 266.349 -0.132 20 0 CBADRP Cc1ncc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)nc1C ZINC001218623717 824607834 /nfs/dbraw/zinc/60/78/34/824607834.db2.gz BBLMBJCDNBDQCB-JTQLQIEISA-N 2 0 261.329 -0.159 20 0 CBADRP Cc1ncnc(C)c1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218637552 824611854 /nfs/dbraw/zinc/61/18/54/824611854.db2.gz LNBJYPWMFJEINZ-GFCCVEGCSA-N 2 0 292.387 -0.218 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640927 824612737 /nfs/dbraw/zinc/61/27/37/824612737.db2.gz NSPIZKIOGQYHIR-LBPRGKRZSA-N 2 0 289.343 -0.731 20 0 CBADRP Cc1nc(Cl)c(N)c(=N)n1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218641900 824612807 /nfs/dbraw/zinc/61/28/07/824612807.db2.gz JRUDSXFGENKTFN-LURJTMIESA-N 2 0 272.740 -0.387 20 0 CBADRP COC(=O)c1n[nH]c(C)c1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218639912 824612998 /nfs/dbraw/zinc/61/29/98/824612998.db2.gz ISVJNSCRXJKCPF-ZETCQYMHSA-N 2 0 269.305 -0.491 20 0 CBADRP O=C(Nc1noc2cnccc21)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218646415 824614334 /nfs/dbraw/zinc/61/43/34/824614334.db2.gz PSGUXNBTQZNDHT-SECBINFHSA-N 2 0 273.296 -0.030 20 0 CBADRP Nc1ncc(Cl)nc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218652787 824615474 /nfs/dbraw/zinc/61/54/74/824615474.db2.gz QABIGFPRPVSSJQ-RXMQYKEDSA-N 2 0 258.713 -0.283 20 0 CBADRP Nc1cnc(Cl)c(NC(=O)[C@@H]([NH3+])CSCC[NH3+])n1 ZINC001218673826 824619489 /nfs/dbraw/zinc/61/94/89/824619489.db2.gz GFEYRCMCSRXSQQ-YFKPBYRVSA-N 2 0 290.780 -0.330 20 0 CBADRP [NH3+][C@H](C(=O)Nc1[nH]c(=O)[nH]c(=O)c1N=O)C1CC[NH2+]CC1 ZINC001218671248 824619506 /nfs/dbraw/zinc/61/95/06/824619506.db2.gz NEJIEYPTAVNRGX-LURJTMIESA-N 2 0 296.287 -0.449 20 0 CBADRP Nc1cnc(Cl)c(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)n1 ZINC001218673709 824620141 /nfs/dbraw/zinc/62/01/41/824620141.db2.gz BCSMBFNKVBIEFY-JMCQJSRRSA-N 2 0 296.762 -0.150 20 0 CBADRP CCOc1cc(N)n(C(=O)[C@H](CCCC[NH3+])[NH2+]C)c(=N)n1 ZINC001218680741 824620995 /nfs/dbraw/zinc/62/09/95/824620995.db2.gz ILUXUFFGBLWWOE-VIFPVBQESA-N 2 0 296.375 -0.299 20 0 CBADRP CCOC(=O)c1ncncc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218679720 824621416 /nfs/dbraw/zinc/62/14/16/824621416.db2.gz VSLWHRFNOXXQLQ-MRVPVSSYSA-N 2 0 281.316 -0.342 20 0 CBADRP O=C(Nc1cc(Cl)ncc1CO)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218692237 824622165 /nfs/dbraw/zinc/62/21/65/824622165.db2.gz DFLPCDUWRFJOCY-SECBINFHSA-N 2 0 296.758 -0.025 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)n1ccc(=[NH2+])c(N)c1 ZINC001218692835 824622191 /nfs/dbraw/zinc/62/21/91/824622191.db2.gz YNOAZQVJJYFBIQ-JTQLQIEISA-N 2 0 260.301 -0.507 20 0 CBADRP O=C(Nc1cc(Cl)ncc1CO)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218692238 824622368 /nfs/dbraw/zinc/62/23/68/824622368.db2.gz DFLPCDUWRFJOCY-VIFPVBQESA-N 2 0 296.758 -0.025 20 0 CBADRP CCOc1cc(N)n(C(=O)[C@@H]([NH3+])CCCC[NH3+])c(=N)n1 ZINC001218681170 824622569 /nfs/dbraw/zinc/62/25/69/824622569.db2.gz QVJQVDUBGGEFTM-QMMMGPOBSA-N 2 0 282.348 -0.560 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1cncc(C[NH3+])c1 ZINC001218704960 824625949 /nfs/dbraw/zinc/62/59/49/824625949.db2.gz GLFQZUKQRHMENM-JTQLQIEISA-N 3 0 269.374 -0.502 20 0 CBADRP CC(=O)c1nn(C)cc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218707539 824626026 /nfs/dbraw/zinc/62/60/26/824626026.db2.gz KRSDBHAUSNKYRY-VIFPVBQESA-N 2 0 277.328 -0.630 20 0 CBADRP O=C(Nc1cc([C@H]2CCC[NH2+]2)no1)[C@H]1[NH2+]CC[C@@H]1O ZINC001218710261 824626233 /nfs/dbraw/zinc/62/62/33/824626233.db2.gz DLPMJDTZVYJHIO-HDBBIHSSSA-N 2 0 266.301 -0.240 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)Nc1cncc(C[NH3+])c1 ZINC001218705208 824626448 /nfs/dbraw/zinc/62/64/48/824626448.db2.gz MENKRKFLJHPEET-NSHDSACASA-N 2 0 277.328 -0.572 20 0 CBADRP CC(=O)c1nn(C)cc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218708553 824626556 /nfs/dbraw/zinc/62/65/56/824626556.db2.gz SWXOXGAFQUMNMI-QMMMGPOBSA-N 2 0 253.306 -0.373 20 0 CBADRP CC(=O)c1nn(C)cc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218708182 824626595 /nfs/dbraw/zinc/62/65/95/824626595.db2.gz QEEROTCMBFDMRI-QMMMGPOBSA-N 2 0 285.373 -0.420 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)Nc2cc([C@@H]3CCC[NH2+]3)no2)C1 ZINC001218713935 824627325 /nfs/dbraw/zinc/62/73/25/824627325.db2.gz VADRNDBXVUNUTI-NRPADANISA-N 2 0 265.317 -0.273 20 0 CBADRP O=C(Nc1cc([C@@H]2CCC[NH2+]2)no1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001218712204 824627506 /nfs/dbraw/zinc/62/75/06/824627506.db2.gz NSMYKBQPOJZKKR-WEDXCCLWSA-N 2 0 266.301 -0.382 20 0 CBADRP O=C(Nc1cc([C@@H]2CCC[NH2+]2)no1)[C@H]1C[NH2+]CCN1 ZINC001218710395 824628178 /nfs/dbraw/zinc/62/81/78/824628178.db2.gz FFMZELMASMYXOX-WCBMZHEXSA-N 2 0 265.317 -0.401 20 0 CBADRP N[C@@]1(C(=O)Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)CC[NH2+]C1 ZINC001218728682 824629051 /nfs/dbraw/zinc/62/90/51/824629051.db2.gz ZUKBJNMAPHFIQW-RISCZKNCSA-N 2 0 291.355 -0.548 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218726303 824629207 /nfs/dbraw/zinc/62/92/07/824629207.db2.gz JOJXDKZDZFFCJE-NEPJUHHUSA-N 3 0 293.371 -0.173 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218731576 824629317 /nfs/dbraw/zinc/62/93/17/824629317.db2.gz QGSSYDJDINJDOR-WOPDTQHZSA-N 2 0 291.355 -0.693 20 0 CBADRP CCN=c1ncc(N)cn1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001218740186 824629991 /nfs/dbraw/zinc/62/99/91/824629991.db2.gz UKISFJKQIGKKSP-JTQLQIEISA-N 2 0 280.376 -0.128 20 0 CBADRP CCN=c1ccc(N)cn1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218739373 824630829 /nfs/dbraw/zinc/63/08/29/824630829.db2.gz CHJYQUFJBFVIPN-SNVBAGLBSA-N 2 0 251.334 -0.303 20 0 CBADRP CN=c1c(N)cc(Cl)nn1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218743877 824633627 /nfs/dbraw/zinc/63/36/27/824633627.db2.gz ZMMVWAIYUQVVPQ-ZETCQYMHSA-N 2 0 286.767 -0.254 20 0 CBADRP CNC(=O)c1cccnc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218765006 824636564 /nfs/dbraw/zinc/63/65/64/824636564.db2.gz QSAVDWRRQTXLGP-LLVKDONJSA-N 2 0 291.355 -0.293 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)Nc1cnn2c1OCCC2 ZINC001218793574 824638671 /nfs/dbraw/zinc/63/86/71/824638671.db2.gz DLLQKPXVZWIHSQ-VIFPVBQESA-N 2 0 276.300 -0.103 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)Nc2ncccc2CCO)C1 ZINC001218792390 824638798 /nfs/dbraw/zinc/63/87/98/824638798.db2.gz JHBONSBIDRURFY-ZJUUUORDSA-N 2 0 250.302 -0.756 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1c[nH]ccc1=O ZINC001218792251 824639332 /nfs/dbraw/zinc/63/93/32/824639332.db2.gz VOFMOURZJMHPJJ-ZETCQYMHSA-N 2 0 256.331 -0.667 20 0 CBADRP O=C(Nc1ccccc1-c1nn[nH]n1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218856053 824642596 /nfs/dbraw/zinc/64/25/96/824642596.db2.gz PFVYSTCHFFSTTC-JTQLQIEISA-N 2 0 299.338 -0.386 20 0 CBADRP Cc1ccc(C(N)=O)cc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218912317 824646713 /nfs/dbraw/zinc/64/67/13/824646713.db2.gz ALNLCULKNXBXSW-LLVKDONJSA-N 2 0 288.351 -0.159 20 0 CBADRP COc1ccc(CO)c(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001219074419 824653911 /nfs/dbraw/zinc/65/39/11/824653911.db2.gz JNWHKLMZQWWNGH-LBPRGKRZSA-N 2 0 291.351 -0.065 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2CN(CCCO)C[C@@H]21 ZINC001219052258 824654132 /nfs/dbraw/zinc/65/41/32/824654132.db2.gz PDMKUOPMOXLEIS-UONOGXRCSA-N 2 0 299.415 -0.379 20 0 CBADRP [NH3+]CCCNCC(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219118567 824664860 /nfs/dbraw/zinc/66/48/60/824664860.db2.gz NDPLJUGXEQUCGG-UHFFFAOYSA-N 2 0 291.399 -0.027 20 0 CBADRP [NH3+]Cc1ccc(NC(=O)[C@H]2NC(=O)CC23C[NH2+]C3)cc1 ZINC001219345538 824694391 /nfs/dbraw/zinc/69/43/91/824694391.db2.gz SLFFTBJRWLOJIE-GFCCVEGCSA-N 2 0 274.324 -0.438 20 0 CBADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)cc1 ZINC001219345539 824695245 /nfs/dbraw/zinc/69/52/45/824695245.db2.gz SLFFTBJRWLOJIE-LBPRGKRZSA-N 2 0 274.324 -0.438 20 0 CBADRP NC(=O)c1cc(O)cc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c1 ZINC001219441822 824710873 /nfs/dbraw/zinc/71/08/73/824710873.db2.gz RZUWHJUHOBWFED-NSHDSACASA-N 2 0 280.328 -0.114 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N[C@H](CO)[C@@H](C)O ZINC001219557822 824728459 /nfs/dbraw/zinc/72/84/59/824728459.db2.gz FLWURHBVZKFRDG-GRYCIOLGSA-N 2 0 275.393 -0.660 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219532637 824723051 /nfs/dbraw/zinc/72/30/51/824723051.db2.gz BPUAECRGXQLOCP-KBVBSXBZSA-N 2 0 277.324 -0.217 20 0 CBADRP O=C(Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2)[C@@H]1C[NH2+]CCN1 ZINC001219537319 824723657 /nfs/dbraw/zinc/72/36/57/824723657.db2.gz KZCFOMATUSEBNO-GAFUQQFSSA-N 2 0 288.351 -0.366 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@H]2O3)C1 ZINC001219537883 824723777 /nfs/dbraw/zinc/72/37/77/824723777.db2.gz RBJMCKZSSKHMRQ-MBJVOQIVSA-N 2 0 288.351 -0.238 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@H]2O3)C1 ZINC001219542355 824724645 /nfs/dbraw/zinc/72/46/45/824724645.db2.gz RBJMCKZSSKHMRQ-IZWKTGJZSA-N 2 0 288.351 -0.238 20 0 CBADRP N[C@@H](C[NH3+])C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219538152 824724798 /nfs/dbraw/zinc/72/47/98/824724798.db2.gz VOSKIMOARDGXCY-LAEOZQHASA-N 2 0 262.313 -0.641 20 0 CBADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219537927 824725815 /nfs/dbraw/zinc/72/58/15/824725815.db2.gz RNLLCOKYHNXHNV-PKCZLINISA-N 2 0 289.335 -0.204 20 0 CBADRP O=C(Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219537928 824725848 /nfs/dbraw/zinc/72/58/48/824725848.db2.gz RNLLCOKYHNXHNV-PZEZNAACSA-N 2 0 289.335 -0.204 20 0 CBADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)NCC[NH+](C)C ZINC001219553846 824727552 /nfs/dbraw/zinc/72/75/52/824727552.db2.gz OBMAKFWXTCRSJC-JTQLQIEISA-N 2 0 273.377 -0.016 20 0 CBADRP C[NH+](C)CCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219553705 824728076 /nfs/dbraw/zinc/72/80/76/824728076.db2.gz HNAIJNYMIJRGNZ-LLVKDONJSA-N 3 0 254.378 -0.462 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCC[NH+](CC)CC ZINC001219555895 824728759 /nfs/dbraw/zinc/72/87/59/824728759.db2.gz XIVGNSRQBPXKFS-AAEUAGOBSA-N 2 0 286.420 -0.066 20 0 CBADRP O=C(NCCN1CCCCC1=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219567381 824733439 /nfs/dbraw/zinc/73/34/39/824733439.db2.gz IGMRBPSPRABTFS-IUODEOHRSA-N 2 0 294.399 -0.686 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]Cc3ccnn3C2)C[NH2+]1 ZINC001219580031 824734337 /nfs/dbraw/zinc/73/43/37/824734337.db2.gz IRQRQOGJPVTSSV-TUAOUCFPSA-N 2 0 277.372 -0.141 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]Cc3ccnn3C2)C[NH2+]1 ZINC001219580030 824734404 /nfs/dbraw/zinc/73/44/04/824734404.db2.gz IRQRQOGJPVTSSV-SRVKXCTJSA-N 2 0 277.372 -0.141 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C[NH2+]1 ZINC001219585025 824735983 /nfs/dbraw/zinc/73/59/83/824735983.db2.gz QQJANABRTVYWKJ-UHFZAUJKSA-N 2 0 252.362 -0.807 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCN(C)CC2)C[NH2+]1 ZINC001219583318 824736062 /nfs/dbraw/zinc/73/60/62/824736062.db2.gz SYGPOTCEBZMMEK-STQMWFEESA-N 2 0 268.405 -0.119 20 0 CBADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219586805 824736257 /nfs/dbraw/zinc/73/62/57/824736257.db2.gz FLPZSQDAIXOABD-OHBODLIOSA-N 2 0 269.345 -0.606 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C[NH2+]1 ZINC001219583327 824736784 /nfs/dbraw/zinc/73/67/84/824736784.db2.gz TYAGPCGCBQIZGZ-KZVDOYCCSA-N 3 0 266.389 -0.558 20 0 CBADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219586804 824736855 /nfs/dbraw/zinc/73/68/55/824736855.db2.gz FLPZSQDAIXOABD-IXLVHKGHSA-N 2 0 269.345 -0.606 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)C2=NO[C@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001219582799 824736869 /nfs/dbraw/zinc/73/68/69/824736869.db2.gz JMEGIHVTPAXOKO-OUJBWJOFSA-N 2 0 266.345 -0.249 20 0 CBADRP Cc1cc(C)n(CCNC(=O)[C@H]([NH3+])CCC[NH3+])n1 ZINC001219595897 824738688 /nfs/dbraw/zinc/73/86/88/824738688.db2.gz VAVDLFMWJAWXGD-LLVKDONJSA-N 2 0 253.350 -0.318 20 0 CBADRP CCCCC[C@H]([NH2+]C)C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001219595852 824739256 /nfs/dbraw/zinc/73/92/56/824739256.db2.gz SUOQCFMPAGIOMB-JTQLQIEISA-N 2 0 279.406 -0.098 20 0 CBADRP O=C(NC[C@H](O)c1ccco1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219604362 824850937 /nfs/dbraw/zinc/85/09/37/824850937.db2.gz NEOWAOGXYVXIOS-ZJUUUORDSA-N 2 0 265.313 -0.762 20 0 CBADRP CS(=O)(=O)CCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219608247 824853458 /nfs/dbraw/zinc/85/34/58/824853458.db2.gz TYAWJNTXDCYCFO-SNVBAGLBSA-N 2 0 289.401 -0.979 20 0 CBADRP N[C@]1(C(=O)N[C@]2(C(F)(F)F)CC[NH2+]C2)CCC[NH2+]C1 ZINC001219610257 824854073 /nfs/dbraw/zinc/85/40/73/824854073.db2.gz MCESONJHNJUCMR-NXEZZACHSA-N 2 0 280.294 -0.522 20 0 CBADRP NC1(C(=O)N[C@]2(C(F)(F)F)CC[NH2+]C2)CC[NH2+]CC1 ZINC001219609886 824854277 /nfs/dbraw/zinc/85/42/77/824854277.db2.gz HFKRQKLSINCIDO-SNVBAGLBSA-N 2 0 280.294 -0.522 20 0 CBADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219610609 824854493 /nfs/dbraw/zinc/85/44/93/824854493.db2.gz PNBIBOXFNMYZGU-IEBDPFPHSA-N 2 0 292.305 -0.652 20 0 CBADRP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219610816 824855072 /nfs/dbraw/zinc/85/50/72/824855072.db2.gz RZSZEUQHAQIVNU-KCJUWKMLSA-N 3 0 292.305 -0.794 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)N[C@@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC001219611197 824855098 /nfs/dbraw/zinc/85/50/98/824855098.db2.gz WZXDHNKKBUNVSU-FJXKBIBVSA-N 2 0 266.267 -0.914 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611169 824855157 /nfs/dbraw/zinc/85/51/57/824855157.db2.gz WWOGLYSZJLVUNF-WCBMZHEXSA-N 3 0 282.310 -0.147 20 0 CBADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219610606 824855300 /nfs/dbraw/zinc/85/53/00/824855300.db2.gz PNBIBOXFNMYZGU-FBIMIBRVSA-N 2 0 292.305 -0.652 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219616792 824856609 /nfs/dbraw/zinc/85/66/09/824856609.db2.gz DXBYQVZYCCLBJF-MWGHHZFTSA-N 2 0 259.325 -0.708 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC001219617368 824856755 /nfs/dbraw/zinc/85/67/55/824856755.db2.gz LTUYSQQZNQKUSO-YRRQLQLVSA-N 2 0 271.336 -0.835 20 0 CBADRP C[C@H]1CC[NH2+][C@@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219617395 824856832 /nfs/dbraw/zinc/85/68/32/824856832.db2.gz MGDOKNXUDGYISM-SRRSOLGSSA-N 2 0 273.352 -0.447 20 0 CBADRP [NH3+]C1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CCCC1 ZINC001219617920 824858018 /nfs/dbraw/zinc/85/80/18/824858018.db2.gz QULRGTRXADYYHO-JOYOIKCWSA-N 2 0 259.325 -0.563 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001219618181 824858087 /nfs/dbraw/zinc/85/80/87/824858087.db2.gz XNVJLLFZTWYTHK-XPORZQOISA-N 2 0 271.336 -0.694 20 0 CBADRP CC1(C)[C@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C[C@@H]1[NH3+] ZINC001219620156 824860395 /nfs/dbraw/zinc/86/03/95/824860395.db2.gz XFFXGRWVLQCSOE-AVWBDOJWSA-N 2 0 273.352 -0.462 20 0 CBADRP C[C@]1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC[NH2+]C1 ZINC001219621527 824861658 /nfs/dbraw/zinc/86/16/58/824861658.db2.gz AUAFASNOZDPZNH-ZMLRMANQSA-N 2 0 259.325 -0.835 20 0 CBADRP CC(C)C[C@H](CO)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219631258 824865483 /nfs/dbraw/zinc/86/54/83/824865483.db2.gz UUJGJRKACVVZSU-GHMZBOCLSA-N 2 0 255.362 -0.681 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2C[NH2+]Cc3ccnn3C2)C1 ZINC001219639124 824867509 /nfs/dbraw/zinc/86/75/09/824867509.db2.gz VLJIXSNGHCDMRK-XQQFMLRXSA-N 2 0 291.399 -0.036 20 0 CBADRP C[C@H]1OCC[C@H]1CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001219634080 824868216 /nfs/dbraw/zinc/86/82/16/824868216.db2.gz MVRWRAGVAJKJPA-UTLUCORTSA-N 2 0 261.391 -0.453 20 0 CBADRP [NH3+][C@@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)C1CC[NH2+]CC1 ZINC001219636104 824868517 /nfs/dbraw/zinc/86/85/17/824868517.db2.gz WSNPQYCMBIKBRR-GARJFASQSA-N 3 0 258.341 -0.871 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)C2=NO[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001219640844 824869801 /nfs/dbraw/zinc/86/98/01/824869801.db2.gz CJENAIRLAXNAEQ-CHWFTXMASA-N 2 0 266.345 -0.678 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@]23C[NH2+][C@@H](CO2)C3)C1 ZINC001219640824 824870049 /nfs/dbraw/zinc/87/00/49/824870049.db2.gz CGFLHCYMMFVTRB-SBFPOUOMSA-N 2 0 253.346 -0.521 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001219641932 824870086 /nfs/dbraw/zinc/87/00/86/824870086.db2.gz MZJJBTTYQHWYNH-OUAUKWLOSA-N 2 0 285.392 -0.876 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC001219641779 824870138 /nfs/dbraw/zinc/87/01/38/824870138.db2.gz LGHRVMILFVMJNU-NMKXLXIOSA-N 2 0 267.373 -0.416 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])CCCNC(N)=O)C1 ZINC001219641927 824870242 /nfs/dbraw/zinc/87/02/42/824870242.db2.gz MZJJBTTYQHWYNH-DCAQKATOSA-N 2 0 285.392 -0.876 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219642045 824870548 /nfs/dbraw/zinc/87/05/48/824870548.db2.gz OLOBAYFGYWTMET-MIMYLULJSA-N 2 0 257.334 -0.761 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219645511 824871961 /nfs/dbraw/zinc/87/19/61/824871961.db2.gz LHKXFUNYXYMVTF-AVGNSLFASA-N 2 0 298.431 -0.162 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)C2(O)CC[NH+](C)CC2)C1 ZINC001219646394 824872666 /nfs/dbraw/zinc/87/26/66/824872666.db2.gz SJSQOIRNASRBKY-VXGBXAGGSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219649486 824872973 /nfs/dbraw/zinc/87/29/73/824872973.db2.gz JYBPKBCFYIPEKU-VOAKCMCISA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])CC[S@@](C)=O)C1 ZINC001219649346 824873049 /nfs/dbraw/zinc/87/30/49/824873049.db2.gz IEIWMDZWGSPLGL-RYDOPVQFSA-N 2 0 275.418 -0.556 20 0 CBADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219648964 824873190 /nfs/dbraw/zinc/87/31/90/824873190.db2.gz CRQFRQLYCSLSQQ-NAKRPEOUSA-N 2 0 270.377 -0.800 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219651605 824875090 /nfs/dbraw/zinc/87/50/90/824875090.db2.gz WPEGJOFHUNRIOL-WUHRBBMRSA-N 2 0 297.399 -0.253 20 0 CBADRP C[C@@H]1C[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CCN3)C[NH2+]1 ZINC001219685249 824877630 /nfs/dbraw/zinc/87/76/30/824877630.db2.gz XWLDWYWGWJINRO-UZWSLXQKSA-N 2 0 252.362 -0.948 20 0 CBADRP C[C@@H]1C[C@@H](CNC(=O)CN2CCCC[C@H]([NH3+])C2=O)C[NH2+]1 ZINC001219685321 824880053 /nfs/dbraw/zinc/88/00/53/824880053.db2.gz ZYXAGELWXPWDET-UTUOFQBUSA-N 2 0 282.388 -0.560 20 0 CBADRP CC(C)[C@]1(C(=O)NCCC2(O)C[NH2+]C2)CCC[NH2+]C1 ZINC001219696185 824881464 /nfs/dbraw/zinc/88/14/64/824881464.db2.gz BXZZHTKJCLFMPS-AWEZNQCLSA-N 2 0 269.389 -0.147 20 0 CBADRP [NH3+]CCNCC(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219705446 824882872 /nfs/dbraw/zinc/88/28/72/824882872.db2.gz JOIASYDLMGRBPN-UHFFFAOYSA-N 2 0 262.357 -0.503 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219703676 824883216 /nfs/dbraw/zinc/88/32/16/824883216.db2.gz OWDYQZXIUFPTIW-UHFFFAOYSA-N 2 0 288.395 -0.146 20 0 CBADRP O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@@H]1C[NH2+]C[C@H]1O ZINC001219705264 824883403 /nfs/dbraw/zinc/88/34/03/824883403.db2.gz FTPRDCBRACGBMY-ZIAGYGMSSA-N 2 0 275.352 -0.471 20 0 CBADRP Nc1nc(=O)[nH]cc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001219701577 824883583 /nfs/dbraw/zinc/88/35/83/824883583.db2.gz OFYFPIMDZLCEKU-MRVPVSSYSA-N 2 0 266.305 -0.970 20 0 CBADRP Cn1cccc1CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001219699106 824883668 /nfs/dbraw/zinc/88/36/68/824883668.db2.gz ROKHYTPVNRCNLS-JTQLQIEISA-N 2 0 256.375 -0.340 20 0 CBADRP O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@@H]1C[NH2+]CCN1 ZINC001219705259 824883702 /nfs/dbraw/zinc/88/37/02/824883702.db2.gz FSGKHOWQXXFZST-AWEZNQCLSA-N 2 0 274.368 -0.490 20 0 CBADRP O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@H]1C[NH2+]C[C@H]1O ZINC001219705263 824883892 /nfs/dbraw/zinc/88/38/92/824883892.db2.gz FTPRDCBRACGBMY-UONOGXRCSA-N 2 0 275.352 -0.471 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@H]1[NH2+]CCC[C@H]1C(F)(F)F ZINC001219711868 824885205 /nfs/dbraw/zinc/88/52/05/824885205.db2.gz IORXEVPGICQUCV-BGZDPUMWSA-N 2 0 281.278 -0.634 20 0 CBADRP C[C@]([NH3+])(Cc1ccc(F)cc1)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714781 824885518 /nfs/dbraw/zinc/88/55/18/824885518.db2.gz XVRZRYYUCNPUND-BZPMIXESSA-N 2 0 281.331 -0.466 20 0 CBADRP [NH3+][C@@H](Cc1ccsc1)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720795 824886247 /nfs/dbraw/zinc/88/62/47/824886247.db2.gz QQEHVDVFADLPMO-LPEHRKFASA-N 2 0 255.343 -0.540 20 0 CBADRP [NH3+][C@H](C(=O)N[C@@H]1COC[C@@H]1[NH3+])C1Cc2ccccc2C1 ZINC001219719978 824886439 /nfs/dbraw/zinc/88/64/39/824886439.db2.gz CDWIAWYMFXBMIL-MJBXVCDLSA-N 2 0 275.352 -0.429 20 0 CBADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001219720042 824886862 /nfs/dbraw/zinc/88/68/62/824886862.db2.gz FELSXDFDJWOPLZ-RWMBFGLXSA-N 2 0 261.325 -0.457 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC001219737058 824888346 /nfs/dbraw/zinc/88/83/46/824888346.db2.gz NQONUQHYVWRKDK-WOPDTQHZSA-N 2 0 267.373 -0.131 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219736741 824888547 /nfs/dbraw/zinc/88/85/47/824888547.db2.gz GKTGSGLMOBKWAW-SRVKXCTJSA-N 2 0 267.373 -0.131 20 0 CBADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCCC[NH2+]1 ZINC001219737428 824888654 /nfs/dbraw/zinc/88/86/54/824888654.db2.gz VVKBCPUIJYCWIL-QWRGUYRKSA-N 2 0 253.346 -0.377 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741415 824888845 /nfs/dbraw/zinc/88/88/45/824888845.db2.gz JQTRJQJVYCHLHN-NEPJUHHUSA-N 2 0 299.371 -0.706 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC001219737055 824888855 /nfs/dbraw/zinc/88/88/55/824888855.db2.gz NQONUQHYVWRKDK-GRYCIOLGSA-N 2 0 267.373 -0.131 20 0 CBADRP Nc1nc(=O)c(F)cn1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001219741919 824889264 /nfs/dbraw/zinc/88/92/64/824889264.db2.gz XRPYDXMGDHUMQX-MRVPVSSYSA-N 2 0 269.280 -0.826 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)NC[C@H]2CCC3(CC[NH2+]CC3)O2)C1 ZINC001219743963 824889359 /nfs/dbraw/zinc/88/93/59/824889359.db2.gz PZDAPTDMRPUBGE-UTUOFQBUSA-N 2 0 282.388 -0.907 20 0 CBADRP C[C@]1(C(=O)NCc2nnc3n2CCC[NH2+]C3)CCC[NH2+]1 ZINC001219748821 824889634 /nfs/dbraw/zinc/88/96/34/824889634.db2.gz DEVMYPLQZQFQEZ-CYBMUJFWSA-N 2 0 278.360 -0.470 20 0 CBADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219743876 824889754 /nfs/dbraw/zinc/88/97/54/824889754.db2.gz OLKQLYWJPWGEGZ-WUHRBBMRSA-N 2 0 279.384 -0.131 20 0 CBADRP C[C@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)C1 ZINC001219764376 824889760 /nfs/dbraw/zinc/88/97/60/824889760.db2.gz DLVQPLQWJUVGEQ-RFQIPJPRSA-N 2 0 280.416 -0.216 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744482 824889974 /nfs/dbraw/zinc/88/99/74/824889974.db2.gz XRPNIUQLIKSKBP-LBPRGKRZSA-N 3 0 284.404 -0.658 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764678 824890001 /nfs/dbraw/zinc/89/00/01/824890001.db2.gz JUZLIRNCOHAEGF-CRWXNKLISA-N 2 0 280.416 -0.216 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744033 824890501 /nfs/dbraw/zinc/89/05/01/824890501.db2.gz QUTXEOFPOBYYAA-QWHCGFSZSA-N 2 0 297.399 -0.218 20 0 CBADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1CCCC[NH2+]1 ZINC001219764198 824890578 /nfs/dbraw/zinc/89/05/78/824890578.db2.gz ALXXXUNIJSDEBL-AGIUHOORSA-N 2 0 266.389 -0.462 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219771773 824891063 /nfs/dbraw/zinc/89/10/63/824891063.db2.gz ROIPDVNPSUIEPP-LBPRGKRZSA-N 2 0 277.372 -0.072 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219771588 824891780 /nfs/dbraw/zinc/89/17/80/824891780.db2.gz PQTXISFNHJXBRK-GXSJLCMTSA-N 3 0 278.397 -0.787 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1C[NH2+]CCN1 ZINC001219777231 824893298 /nfs/dbraw/zinc/89/32/98/824893298.db2.gz DBIRDBDLNYUAOG-LLVKDONJSA-N 2 0 252.362 -0.804 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219773481 824893434 /nfs/dbraw/zinc/89/34/34/824893434.db2.gz UKUVCAOHKSJVAG-NHYWBVRUSA-N 2 0 278.400 -0.414 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219773308 824893490 /nfs/dbraw/zinc/89/34/90/824893490.db2.gz PZLRZRWQPZYRPL-NSHDSACASA-N 3 0 254.378 -0.299 20 0 CBADRP N[C@]1(C(=O)NC2CC3(C2)CC[NH2+]CC3)CC[NH2+]C1 ZINC001219777279 824893949 /nfs/dbraw/zinc/89/39/49/824893949.db2.gz FYBLYJJENJJFTJ-CYBMUJFWSA-N 2 0 252.362 -0.674 20 0 CBADRP NC1(C(=O)NC2CC3(C2)CC[NH2+]CC3)CC[NH2+]CC1 ZINC001219776087 824893962 /nfs/dbraw/zinc/89/39/62/824893962.db2.gz VFLKCZRNZQHDII-UHFFFAOYSA-N 2 0 266.389 -0.284 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC1CC2(C1)CC[NH2+]CC2 ZINC001219780105 824894397 /nfs/dbraw/zinc/89/43/97/824894397.db2.gz RTMPMDOTYXJPRN-LBPRGKRZSA-N 2 0 294.399 -0.497 20 0 CBADRP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813387 824897292 /nfs/dbraw/zinc/89/72/92/824897292.db2.gz RQWMPDAHLKLGTM-ZAZJYDDPSA-N 2 0 299.415 -0.131 20 0 CBADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219811615 824897364 /nfs/dbraw/zinc/89/73/64/824897364.db2.gz XBCNZWGJGZQFAM-JDICNCQASA-N 2 0 262.313 -0.598 20 0 CBADRP O=C(C=C1CC[NH2+]CC1)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219814956 824897511 /nfs/dbraw/zinc/89/75/11/824897511.db2.gz PCMYUWGHLRCBCD-JSGCOSHPSA-N 2 0 265.357 -0.352 20 0 CBADRP C[C@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)C1 ZINC001219831763 824899014 /nfs/dbraw/zinc/89/90/14/824899014.db2.gz XJQUPUQJMFUEKV-CLPYTZEMSA-N 2 0 267.373 -0.132 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831546 824899148 /nfs/dbraw/zinc/89/91/48/824899148.db2.gz OCFWZGFQHUBOKC-VEGXAWMVSA-N 2 0 267.373 -0.132 20 0 CBADRP O=C(N[C@H]1C[NH2+]Cc2ccsc21)[C@H]1C[NH2+]CCN1 ZINC001219825266 824899844 /nfs/dbraw/zinc/89/98/44/824899844.db2.gz GHTZPWFBPPELEO-VHSXEESVSA-N 2 0 266.370 -0.430 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)C1 ZINC001219831764 824900068 /nfs/dbraw/zinc/90/00/68/824900068.db2.gz XJQUPUQJMFUEKV-KVSVUVNWSA-N 2 0 267.373 -0.132 20 0 CBADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1CCCC[NH2+]1 ZINC001219850324 824902795 /nfs/dbraw/zinc/90/27/95/824902795.db2.gz QMBLAAVKZSMUFR-ZDEQEGDKSA-N 2 0 267.373 -0.131 20 0 CBADRP C[NH2+][C@H](Cc1ccccc1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854699 824902924 /nfs/dbraw/zinc/90/29/24/824902924.db2.gz QMNHZWGXWZUQEE-APIJFGDWSA-N 2 0 289.379 -0.080 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854624 824902971 /nfs/dbraw/zinc/90/29/71/824902971.db2.gz NJWXVBMKTGIDRG-NOOOWODRSA-N 2 0 255.362 -0.277 20 0 CBADRP C[C@@H]1CCC[NH2+][C@@H]1C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854116 824902975 /nfs/dbraw/zinc/90/29/75/824902975.db2.gz CYZJTFRPFVXJRA-ZIQFBCGOSA-N 2 0 253.346 -0.523 20 0 CBADRP CC(C)(C)[N@@H+]1CCN[C@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001219856744 824903300 /nfs/dbraw/zinc/90/33/00/824903300.db2.gz ZFHZESUCNJCYCV-MROQNXINSA-N 2 0 296.415 -0.838 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])CC(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854783 824903354 /nfs/dbraw/zinc/90/33/54/824903354.db2.gz VBZHUPPMXKTEPV-WISYIIOYSA-N 2 0 285.388 -0.378 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852106 824903375 /nfs/dbraw/zinc/90/33/75/824903375.db2.gz MCWXTBPPSCFJLO-OBPIAQAESA-N 2 0 267.373 -0.146 20 0 CBADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001219856503 824903387 /nfs/dbraw/zinc/90/33/87/824903387.db2.gz PGDBEXRBQUSTKT-SAVGLBRCSA-N 2 0 257.309 -0.963 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854814 824903422 /nfs/dbraw/zinc/90/34/22/824903422.db2.gz WQKSRUVGNSNARG-MROQNXINSA-N 3 0 284.404 -0.851 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001219867769 824903947 /nfs/dbraw/zinc/90/39/47/824903947.db2.gz RCNSCVHVLDHBLI-NSHDSACASA-N 3 0 254.378 -0.475 20 0 CBADRP CC(C)([NH3+])[C@@H](NCc1ccccc1)C(=O)NCC[NH3+] ZINC001219867200 824904108 /nfs/dbraw/zinc/90/41/08/824904108.db2.gz FNYFCGUMITUAQJ-LBPRGKRZSA-N 2 0 264.373 -0.043 20 0 CBADRP [NH3+]CCNC(=O)[C@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001219870908 824906398 /nfs/dbraw/zinc/90/63/98/824906398.db2.gz WIVGGLLCSMGSEZ-SNVBAGLBSA-N 2 0 257.334 -0.678 20 0 CBADRP CC[C@H](C)[C@@H](CO)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219882410 824907311 /nfs/dbraw/zinc/90/73/11/824907311.db2.gz FXSCHURMQYABQU-CYZMBNFOSA-N 2 0 286.420 -0.740 20 0 CBADRP COC(=O)[C@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])c1ccc(O)cc1 ZINC001219885788 824908821 /nfs/dbraw/zinc/90/88/21/824908821.db2.gz WQQOIEDYIAQKBY-NWDGAFQWSA-N 2 0 295.339 -0.211 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219916505 824913954 /nfs/dbraw/zinc/91/39/54/824913954.db2.gz XUOQMXAIOHRNNN-NWDGAFQWSA-N 3 0 268.405 -0.073 20 0 CBADRP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)NCC[NH2+]CCO)C1 ZINC001219918174 824915627 /nfs/dbraw/zinc/91/56/27/824915627.db2.gz GWNQRYBWDYFEQT-MNOVXSKESA-N 2 0 273.377 -0.770 20 0 CBADRP Cc1nccn1CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219934696 824916794 /nfs/dbraw/zinc/91/67/94/824916794.db2.gz IJATXHPTHPAOKI-LLVKDONJSA-N 2 0 263.345 -0.883 20 0 CBADRP Nc1ccccc1CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219925483 824916890 /nfs/dbraw/zinc/91/68/90/824916890.db2.gz MDGMYPMLNBDMGR-NSHDSACASA-N 2 0 260.341 -0.306 20 0 CBADRP [NH3+]CCNCC(=O)NCCC[NH2+]C1CCCCC1 ZINC001219954154 824920203 /nfs/dbraw/zinc/92/02/03/824920203.db2.gz DZWOIGKCXNVNQN-UHFFFAOYSA-N 2 0 256.394 -0.037 20 0 CBADRP Cc1c[nH]c(CCNC(=O)[C@@H]([NH3+])CSCC[NH3+])n1 ZINC001219951952 824920374 /nfs/dbraw/zinc/92/03/74/824920374.db2.gz IVTLJMYHCNJJMP-VIFPVBQESA-N 2 0 271.390 -0.604 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@H]1C=CS(=O)(=O)C1 ZINC001219945422 824921034 /nfs/dbraw/zinc/92/10/34/824921034.db2.gz JOLSWHKEKFHLGP-QWRGUYRKSA-N 2 0 289.401 -0.528 20 0 CBADRP Cc1nonc1CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001219948428 824921169 /nfs/dbraw/zinc/92/11/69/824921169.db2.gz VDYVRPNMGWSNDK-JTQLQIEISA-N 2 0 253.306 -0.679 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@]2(N)CC[NH2+]C2)CC1 ZINC001219954825 824922122 /nfs/dbraw/zinc/92/21/22/824922122.db2.gz UFGZHAQTDDZOIQ-ZDUSSCGKSA-N 2 0 254.378 -0.332 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001219954728 824922174 /nfs/dbraw/zinc/92/21/74/824922174.db2.gz PENUCIVLKCKDNQ-NWDGAFQWSA-N 2 0 255.362 -0.443 20 0 CBADRP C[NH+]1CCN(c2cccc(CNC(=O)[C@@H](N)C[NH3+])c2)CC1 ZINC001219959368 824922835 /nfs/dbraw/zinc/92/28/35/824922835.db2.gz RWXQFJGBIIWTHG-AWEZNQCLSA-N 2 0 291.399 -0.659 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]C[C@@H]2N)CC1 ZINC001219954915 824922839 /nfs/dbraw/zinc/92/28/39/824922839.db2.gz YDQWXOJFSSBWNC-RYUDHWBXSA-N 2 0 254.378 -0.476 20 0 CBADRP O=C(CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)NC1CCCC1 ZINC001219974756 824928228 /nfs/dbraw/zinc/92/82/28/824928228.db2.gz DJIZBHZQRQBYDB-IAQYHMDHSA-N 2 0 294.399 -0.640 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]([NH3+])CC[S@@](C)=O)C1 ZINC001219980875 824928980 /nfs/dbraw/zinc/92/89/80/824928980.db2.gz PYLLZMIRMKNSQT-SYTFOFBDSA-N 2 0 289.445 -0.070 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2[NH2+]CC[C@@H]2O)C1 ZINC001219980530 824929537 /nfs/dbraw/zinc/92/95/37/824929537.db2.gz KIGXCSDOBNTWLY-WOPDTQHZSA-N 2 0 255.362 -0.443 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@]2(N)CCC[NH2+]C2)C1 ZINC001219980995 824930006 /nfs/dbraw/zinc/93/00/06/824930006.db2.gz SYLYNGDJAUJNER-TZMCWYRMSA-N 2 0 268.405 -0.085 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]([NH3+])CC[S@](C)=O)C1 ZINC001219980876 824930069 /nfs/dbraw/zinc/93/00/69/824930069.db2.gz PYLLZMIRMKNSQT-UFYHVXEKSA-N 2 0 289.445 -0.070 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[NH2+]C[C@@H]2O)C1 ZINC001219981112 824930134 /nfs/dbraw/zinc/93/01/34/824930134.db2.gz XITADUQXTJOCGN-UTUOFQBUSA-N 2 0 255.362 -0.585 20 0 CBADRP COC(=O)C1(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)CC[NH2+]CC1 ZINC001219999509 824930422 /nfs/dbraw/zinc/93/04/22/824930422.db2.gz VWEDPFDGQDNQGM-MNOVXSKESA-N 2 0 283.372 -0.214 20 0 CBADRP COC(=O)C1(NC(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)CC[NH2+]CC1 ZINC001219999291 824931228 /nfs/dbraw/zinc/93/12/28/824931228.db2.gz PBZGHWWAJPFTNA-UWVGGRQHSA-N 2 0 287.335 -0.512 20 0 CBADRP COC(=O)C1(NC(=O)[C@@H]2CCCC[NH2+]2)CC[NH2+]CC1 ZINC001219999513 824931295 /nfs/dbraw/zinc/93/12/95/824931295.db2.gz VZGDXUHGKLMRLF-JTQLQIEISA-N 2 0 269.345 -0.460 20 0 CBADRP COC(=O)C1(NC(=O)[C@@H]([NH3+])CC2CCC2)CC[NH2+]CC1 ZINC001220001661 824931617 /nfs/dbraw/zinc/93/16/17/824931617.db2.gz VUNJGLJSIWRUHD-NSHDSACASA-N 2 0 283.372 -0.085 20 0 CBADRP O=C(NCc1ccncn1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220005112 824933025 /nfs/dbraw/zinc/93/30/25/824933025.db2.gz QNRHHLAHSVXOCM-ZWNOBZJWSA-N 2 0 261.329 -0.708 20 0 CBADRP CN1C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])CCC1=O ZINC001220006987 824933153 /nfs/dbraw/zinc/93/31/53/824933153.db2.gz GXBYOXVJLGKPPI-ZJUUUORDSA-N 2 0 256.350 -0.820 20 0 CBADRP N=c1cc(C[NH3+])ncn1C(=O)[C@H]([NH3+])Cc1cccc(O)c1 ZINC001220020837 824936046 /nfs/dbraw/zinc/93/60/46/824936046.db2.gz XSBDFARORJIHBT-GFCCVEGCSA-N 2 0 287.323 -0.263 20 0 CBADRP N=c1sc2c(n1C(=O)[C@@H]1CC[NH2+]1)CC[C@H]([NH3+])C2 ZINC001220022619 824936352 /nfs/dbraw/zinc/93/63/52/824936352.db2.gz JFRQQHOAFMVZRS-BQBZGAKWSA-N 2 0 252.343 -0.153 20 0 CBADRP N=c1sc2c(n1C(=O)[C@H]1C[C@@H](O)C[NH2+]1)CC[C@H]([NH3+])C2 ZINC001220022792 824936601 /nfs/dbraw/zinc/93/66/01/824936601.db2.gz LXTZKYHUWFTIGR-XLPZGREQSA-N 2 0 282.369 -0.792 20 0 CBADRP N=c1sc2c(n1C(=O)[C@@H]1C[NH2+]C[C@H]1O)CC[C@H]([NH3+])C2 ZINC001220025047 824937434 /nfs/dbraw/zinc/93/74/34/824937434.db2.gz HYCXWHPMDQSAJA-LKEWCRSYSA-N 2 0 282.369 -0.934 20 0 CBADRP CC(C)[C@@](C)(NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C(N)=O ZINC001220023438 824937745 /nfs/dbraw/zinc/93/77/45/824937745.db2.gz YVCIFDMWFADZDT-ZWNOBZJWSA-N 2 0 270.377 -0.671 20 0 CBADRP N=c1sc2c(n1C(=O)C1([NH3+])CC1)CC[C@H]([NH3+])C2 ZINC001220023327 824937756 /nfs/dbraw/zinc/93/77/56/824937756.db2.gz VOMUKCUVEWQURC-LURJTMIESA-N 2 0 252.343 -0.023 20 0 CBADRP N=c1sc2c(n1C(=O)C[C@H](O)C[NH3+])CC[C@H]([NH3+])C2 ZINC001220023378 824938329 /nfs/dbraw/zinc/93/83/29/824938329.db2.gz WQQNBZLXAQUCRZ-BQBZGAKWSA-N 2 0 270.358 -0.805 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCC(C)(C)C(N)=O ZINC001220034163 824939827 /nfs/dbraw/zinc/93/98/27/824939827.db2.gz VUIYBWNGSFEGGN-VIFPVBQESA-N 2 0 258.366 -0.669 20 0 CBADRP COC(=O)c1ccnc(CNC(=O)[C@H]([NH3+])CCC[NH3+])c1 ZINC001220037826 824940879 /nfs/dbraw/zinc/94/08/79/824940879.db2.gz LUUGWGJFVAFLDI-LLVKDONJSA-N 2 0 280.328 -0.449 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]([NH3+])CC(F)F ZINC001220043163 824941943 /nfs/dbraw/zinc/94/19/43/824941943.db2.gz HOBNPSCTINYWAO-ZETCQYMHSA-N 2 0 259.260 -0.248 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)n1ccc(C[NH3+])cc1=N ZINC001220044818 824942081 /nfs/dbraw/zinc/94/20/81/824942081.db2.gz AKIMPBDLXSVXRL-NIVTXAMTSA-N 2 0 270.358 -0.838 20 0 CBADRP N=c1cc(C[NH3+])ccn1C(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001220044875 824942220 /nfs/dbraw/zinc/94/22/20/824942220.db2.gz CMDZOBQISKFRBX-SNVBAGLBSA-N 2 0 260.301 -0.640 20 0 CBADRP N=c1cc(C[NH3+])ccn1C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220044830 824942595 /nfs/dbraw/zinc/94/25/95/824942595.db2.gz BCQVSYSQCHMHLS-JTQLQIEISA-N 2 0 277.328 -0.984 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001220043356 824942609 /nfs/dbraw/zinc/94/26/09/824942609.db2.gz OPCIFBPHQAESQB-JTQLQIEISA-N 2 0 275.316 -0.937 20 0 CBADRP COC(=O)C1(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCCC1 ZINC001220047715 824943224 /nfs/dbraw/zinc/94/32/24/824943224.db2.gz DAJUDZYZHBVXME-LLVKDONJSA-N 2 0 283.372 -0.085 20 0 CBADRP O=C(NCc1n[nH]c2ccccc21)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220045435 824944295 /nfs/dbraw/zinc/94/42/95/824944295.db2.gz ZHWRJJBMWDONOR-LLVKDONJSA-N 2 0 285.351 -0.012 20 0 CBADRP C[NH2+]CCNC(=O)[C@@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001220052793 824945749 /nfs/dbraw/zinc/94/57/49/824945749.db2.gz CNEZTPSFLLUKQG-NHYWBVRUSA-N 2 0 288.351 -0.569 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCCc1cc[nH]n1 ZINC001220062096 824946534 /nfs/dbraw/zinc/94/65/34/824946534.db2.gz LZULTSUNSSUIIV-JTQLQIEISA-N 2 0 253.350 -0.085 20 0 CBADRP C[NH2+]CCNC(=O)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001220059233 824946963 /nfs/dbraw/zinc/94/69/63/824946963.db2.gz OUEXZIWRVGKLSF-SNVBAGLBSA-N 2 0 264.329 -0.229 20 0 CBADRP C[NH2+]CCNC(=O)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC001220059232 824947129 /nfs/dbraw/zinc/94/71/29/824947129.db2.gz OUEXZIWRVGKLSF-JTQLQIEISA-N 2 0 264.329 -0.229 20 0 CBADRP CCOC(=O)C(C)(C)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220063746 824948331 /nfs/dbraw/zinc/94/83/31/824948331.db2.gz AYOFAZUFEHNWJC-SECBINFHSA-N 2 0 269.345 -0.747 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C[C@@H]1CCC[NH2+]C1 ZINC001220103581 824954938 /nfs/dbraw/zinc/95/49/38/824954938.db2.gz XOZGTPVZCSLRKQ-JTQLQIEISA-N 3 0 255.366 -0.163 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CC1CC[NH2+]CC1 ZINC001220101315 824955475 /nfs/dbraw/zinc/95/54/75/824955475.db2.gz IJEULHHWNNNYRH-UHFFFAOYSA-N 3 0 255.366 -0.163 20 0 CBADRP NC(=[NH2+])N(C(=O)[C@@H]1C[NH2+]CCN1)c1ccccc1F ZINC001220106568 824956208 /nfs/dbraw/zinc/95/62/08/824956208.db2.gz SMIKGBYRYNJZIL-VIFPVBQESA-N 2 0 265.292 -0.386 20 0 CBADRP O=C(NC[C@@H](O)c1ccc(O)cc1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220112911 824958933 /nfs/dbraw/zinc/95/89/33/824958933.db2.gz DPBOWQOUBQIJNO-QWHCGFSZSA-N 2 0 291.351 -0.649 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]([NH3+])CCC[NH3+])[C@H](C)OC1 ZINC001220136840 824963014 /nfs/dbraw/zinc/96/30/14/824963014.db2.gz IUFAITQHPHJRRS-WCBMZHEXSA-N 2 0 285.344 -0.595 20 0 CBADRP O=C(NCC1(F)CCOCC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220136698 824963884 /nfs/dbraw/zinc/96/38/84/824963884.db2.gz CQQAVBCAAAPYHP-JTQLQIEISA-N 2 0 271.336 -0.570 20 0 CBADRP CO[C@@H]1COCC[C@H]1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220140975 824965846 /nfs/dbraw/zinc/96/58/46/824965846.db2.gz DMLBQYCBPKOOJR-HBNTYKKESA-N 2 0 259.350 -0.637 20 0 CBADRP [NH3+]CC1(NC(=O)[C@H]2CO[C@@]3(C2)CCC[NH2+]CC3)COC1 ZINC001220154159 824971598 /nfs/dbraw/zinc/97/15/98/824971598.db2.gz MPEHKTXJZDJAKT-RISCZKNCSA-N 2 0 283.372 -0.621 20 0 CBADRP N[C@H](C[NH3+])c1ccc(C(=O)NC2(C[NH3+])COC2)cc1 ZINC001220156643 824973207 /nfs/dbraw/zinc/97/32/07/824973207.db2.gz FBMLTSKTANAOMV-LLVKDONJSA-N 2 0 264.329 -0.897 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)CNC2CC[NH2+]CC2)C1 ZINC001220156578 824973552 /nfs/dbraw/zinc/97/35/52/824973552.db2.gz AZQAFSBQKNIECA-LBPRGKRZSA-N 2 0 254.378 -0.462 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001220159988 824974346 /nfs/dbraw/zinc/97/43/46/824974346.db2.gz TXEFBIQVARXAFU-STQMWFEESA-N 2 0 284.404 -0.170 20 0 CBADRP O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220161250 824974586 /nfs/dbraw/zinc/97/45/86/824974586.db2.gz AXNYQMBTFLMWBC-UMVBOHGHSA-N 3 0 292.427 -0.166 20 0 CBADRP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220163450 824974851 /nfs/dbraw/zinc/97/48/51/824974851.db2.gz QWJZMHKINDDPNP-UHXUPSOCSA-N 2 0 267.373 -0.252 20 0 CBADRP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1C[NH2+]C[C@H]1O ZINC001220164158 824976687 /nfs/dbraw/zinc/97/66/87/824976687.db2.gz ZDDZGEFOCJFNDK-CZXHOFHRSA-N 2 0 267.373 -0.395 20 0 CBADRP Cn1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)cc1=O ZINC001220179159 824978778 /nfs/dbraw/zinc/97/87/78/824978778.db2.gz FVMSEWQBKUPWOU-IUODEOHRSA-N 2 0 290.367 -0.799 20 0 CBADRP COc1ccnc(C(=N)NC(=O)[C@@H]([NH3+])CCCC[NH3+])n1 ZINC001220183297 824980543 /nfs/dbraw/zinc/98/05/43/824980543.db2.gz LATUXVHKRHMQHN-QMMMGPOBSA-N 2 0 280.332 -0.617 20 0 CBADRP N=C(NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)c1ncc[nH]1 ZINC001220181552 824980963 /nfs/dbraw/zinc/98/09/63/824980963.db2.gz TVNPSRFZVPUUOP-MRVPVSSYSA-N 2 0 250.306 -0.822 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@H]1CCNCC1(F)F ZINC001220188294 824983402 /nfs/dbraw/zinc/98/34/02/824983402.db2.gz AGNKJCDENDZFBC-BDAKNGLRSA-N 2 0 296.387 -0.633 20 0 CBADRP O=C(NC[C@@H]1CCNCC1(F)F)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220185378 824983455 /nfs/dbraw/zinc/98/34/55/824983455.db2.gz GVBYALGYFOAUKR-UWVGGRQHSA-N 2 0 288.342 -0.844 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@]2(N)CCC[NH2+]C2)CC1 ZINC001220200412 824984115 /nfs/dbraw/zinc/98/41/15/824984115.db2.gz JQQCHHVHJWASTF-HNNXBMFYSA-N 2 0 298.431 -0.316 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001220200312 824984495 /nfs/dbraw/zinc/98/44/95/824984495.db2.gz HCOMYMJHQKSIMJ-CYBMUJFWSA-N 3 0 286.420 -0.330 20 0 CBADRP O=C(NC[C@H]1CNC(=O)C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220202301 824985550 /nfs/dbraw/zinc/98/55/50/824985550.db2.gz AOKIHTGLULPSES-GHMZBOCLSA-N 2 0 280.372 -0.887 20 0 CBADRP O=C(NC[C@@H]1CNC(=O)C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220202304 824986183 /nfs/dbraw/zinc/98/61/83/824986183.db2.gz AOKIHTGLULPSES-WDEREUQCSA-N 2 0 280.372 -0.887 20 0 CBADRP O=C(NC[C@@H]1CNC(=O)C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220202303 824986455 /nfs/dbraw/zinc/98/64/55/824986455.db2.gz AOKIHTGLULPSES-QWRGUYRKSA-N 2 0 280.372 -0.887 20 0 CBADRP COCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229106 824990430 /nfs/dbraw/zinc/99/04/30/824990430.db2.gz NGBZQQXLXZIMKA-NEPJUHHUSA-N 2 0 285.388 -0.864 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCCc1cnccn1 ZINC001220242474 824992773 /nfs/dbraw/zinc/99/27/73/824992773.db2.gz AQBHKCFPECEFFF-NSHDSACASA-N 2 0 251.334 -0.408 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCc1cnccn1 ZINC001220243289 824993242 /nfs/dbraw/zinc/99/32/42/824993242.db2.gz RFUHBBDVQLWAPI-LBPRGKRZSA-N 2 0 265.361 -0.148 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220251746 824994432 /nfs/dbraw/zinc/99/44/32/824994432.db2.gz DFHDSGULTSHGOS-GHMZBOCLSA-N 2 0 285.392 -0.637 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)NCC[C@@H]1CCC[N@@H+]1C ZINC001220251671 824994889 /nfs/dbraw/zinc/99/48/89/824994889.db2.gz BDCNEFHPLCOLBV-AAEUAGOBSA-N 2 0 279.388 -0.110 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220254743 824996220 /nfs/dbraw/zinc/99/62/20/824996220.db2.gz VZWZSWMMJBIHAY-KBPBESRZSA-N 3 0 297.447 -0.663 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220254671 824996788 /nfs/dbraw/zinc/99/67/88/824996788.db2.gz ULVCFTIWFRDKCZ-NSHDSACASA-N 3 0 268.405 -0.501 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220251802 824996813 /nfs/dbraw/zinc/99/68/13/824996813.db2.gz FYTNKMJKHXIOCQ-OLZOCXBDSA-N 3 0 268.405 -0.086 20 0 CBADRP O=C(N[C@H]1CCc2n[nH]cc2C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220260731 824997320 /nfs/dbraw/zinc/99/73/20/824997320.db2.gz FOHMFKUAFHPRQY-WDEREUQCSA-N 2 0 275.356 -0.808 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC001220261200 824997444 /nfs/dbraw/zinc/99/74/44/824997444.db2.gz UMAAXULIWVFDME-NXEZZACHSA-N 2 0 251.334 -0.551 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220254835 824997688 /nfs/dbraw/zinc/99/76/88/824997688.db2.gz ZLLVAXMDYZYIEB-NSHDSACASA-N 2 0 284.404 -0.979 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC001220261202 824997780 /nfs/dbraw/zinc/99/77/80/824997780.db2.gz UMAAXULIWVFDME-VHSXEESVSA-N 2 0 251.334 -0.551 20 0 CBADRP [NH3+]CCN(C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2)c1cccnc1 ZINC001220261351 824999429 /nfs/dbraw/zinc/99/94/29/824999429.db2.gz XJTLZSKQZBHYMO-SMDDNHRTSA-N 2 0 275.356 -0.675 20 0 CBADRP [NH3+][C@H](C(=O)N[C@@H]1CCc2n[nH]cc2C1)C1CC[NH2+]CC1 ZINC001220261239 824999443 /nfs/dbraw/zinc/99/94/43/824999443.db2.gz VMRPPYQFIIAMIX-YPMHNXCESA-N 2 0 277.372 -0.290 20 0 CBADRP [NH3+]CCN(C(=O)[C@]12C[NH2+]C[C@@H]1CCN2)c1cccnc1 ZINC001220261349 824999747 /nfs/dbraw/zinc/99/97/47/824999747.db2.gz XJTLZSKQZBHYMO-FZMZJTMJSA-N 2 0 275.356 -0.675 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001220277303 825002702 /nfs/dbraw/zinc/00/27/02/825002702.db2.gz VJFPIXXYJGCHRA-MCIONIFRSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001220276743 825004006 /nfs/dbraw/zinc/00/40/06/825004006.db2.gz JYPKKFJJMZEOCI-KGLIPLIRSA-N 2 0 299.415 -0.474 20 0 CBADRP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220274889 825004064 /nfs/dbraw/zinc/00/40/64/825004064.db2.gz HSVXOQFPTVBMFH-UTUOFQBUSA-N 2 0 273.377 -0.866 20 0 CBADRP COCCn1cncc1CNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220274663 825004361 /nfs/dbraw/zinc/00/43/61/825004361.db2.gz NAJFZXHUQQWZGV-LLVKDONJSA-N 2 0 269.349 -0.788 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCC1OCCO1 ZINC001220289069 825006640 /nfs/dbraw/zinc/00/66/40/825006640.db2.gz QTMRXELFIDLUDN-JTQLQIEISA-N 2 0 259.350 -0.465 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@H]1COC(=O)C1 ZINC001220296206 825006821 /nfs/dbraw/zinc/00/68/21/825006821.db2.gz JGCHGYPQENWLJO-ZJUUUORDSA-N 2 0 257.334 -0.523 20 0 CBADRP C[N@@H+]1CCCN(CCNC(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC001220306701 825010484 /nfs/dbraw/zinc/01/04/84/825010484.db2.gz NNUBDOFDKDOTTA-JTQLQIEISA-N 2 0 278.347 -0.277 20 0 CBADRP C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1cnn(C)c1 ZINC001220308079 825010710 /nfs/dbraw/zinc/01/07/10/825010710.db2.gz BTEXCHDLTUJKAQ-ZKYQVNSYSA-N 2 0 277.372 -0.204 20 0 CBADRP C[C@]1(C(=O)NCc2ncn3c2C[NH2+]CCC3)CC[NH2+]C1 ZINC001220312711 825012001 /nfs/dbraw/zinc/01/20/01/825012001.db2.gz CLHPJVMYDXPQTN-AWEZNQCLSA-N 2 0 277.372 -0.008 20 0 CBADRP C[C@@H](NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)c1cnn(C)c1 ZINC001220308572 825012519 /nfs/dbraw/zinc/01/25/19/825012519.db2.gz LZYMBHOYLWKMCU-SKDRFNHKSA-N 2 0 265.361 -0.076 20 0 CBADRP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@H]1CC[NH2+]C[C@H]1F ZINC001220313892 825012970 /nfs/dbraw/zinc/01/29/70/825012970.db2.gz YJAKSCLQKMGCMX-WDEREUQCSA-N 2 0 295.362 -0.060 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220320607 825015646 /nfs/dbraw/zinc/01/56/46/825015646.db2.gz OJOBSTHUMHSBSU-FZMZJTMJSA-N 2 0 297.403 -0.333 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[NH2+]CCN1 ZINC001220334686 825016457 /nfs/dbraw/zinc/01/64/57/825016457.db2.gz ACRPSZWUFDPXGI-OLZOCXBDSA-N 2 0 268.405 -0.216 20 0 CBADRP COc1ccc(CNC(=O)[C@H]([NH3+])CCC[NH3+])nn1 ZINC001220343102 825019477 /nfs/dbraw/zinc/01/94/77/825019477.db2.gz DZWREMMFXBWWBU-SECBINFHSA-N 2 0 253.306 -0.832 20 0 CBADRP CCOC(=O)C1(CNC(=O)[C@@H]([NH3+])CCC[NH3+])CCC1 ZINC001220371033 825021194 /nfs/dbraw/zinc/02/11/94/825021194.db2.gz MWSLUEQXKSWVFW-JTQLQIEISA-N 2 0 271.361 -0.098 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1ccc(Cl)nn1 ZINC001220369370 825021270 /nfs/dbraw/zinc/02/12/70/825021270.db2.gz VSBHPIDDHNOZPE-MRVPVSSYSA-N 2 0 257.725 -0.188 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCCc2ccc(C[NH3+])nc21 ZINC001220376839 825023002 /nfs/dbraw/zinc/02/30/02/825023002.db2.gz AQHFFSVRBUJMRF-RYUDHWBXSA-N 2 0 275.356 -0.634 20 0 CBADRP [NH3+]CCNCC(=O)N1CCCc2ccc(C[NH3+])nc21 ZINC001220377141 825023290 /nfs/dbraw/zinc/02/32/90/825023290.db2.gz KYLDOGDAKDTAQR-UHFFFAOYSA-N 2 0 263.345 -0.632 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCCc2ccc(C[NH3+])nc21 ZINC001220376969 825023878 /nfs/dbraw/zinc/02/38/78/825023878.db2.gz FZVOUBGJAUVUAG-GFCCVEGCSA-N 3 0 277.372 -0.114 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1O)[NH+](C)C ZINC001220381280 825025199 /nfs/dbraw/zinc/02/51/99/825025199.db2.gz MPSWIYGBIOOQGE-WOPDTQHZSA-N 2 0 257.378 -0.104 20 0 CBADRP O=C(NCc1ncccc1O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220390251 825027025 /nfs/dbraw/zinc/02/70/25/825027025.db2.gz VOEDVHVZSISVMS-QMTHXVAHSA-N 2 0 276.340 -0.398 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394489 825028888 /nfs/dbraw/zinc/02/88/88/825028888.db2.gz IWRWLOBRAYSERS-NSHDSACASA-N 3 0 254.378 -0.345 20 0 CBADRP CCOC(=O)c1cccc(CNC(=O)[C@@H]([NH3+])CCC[NH3+])n1 ZINC001220400771 825030431 /nfs/dbraw/zinc/03/04/31/825030431.db2.gz MCNHJSYMVPQQGH-NSHDSACASA-N 2 0 294.355 -0.059 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001220406550 825033203 /nfs/dbraw/zinc/03/32/03/825033203.db2.gz SPZQTZUFOSDNHE-MXWKQRLJSA-N 2 0 271.361 -0.099 20 0 CBADRP COC(=O)[C@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001220406757 825033308 /nfs/dbraw/zinc/03/33/08/825033308.db2.gz WOKHWNFMYYQKJI-AEJSXWLSSA-N 2 0 289.401 -0.537 20 0 CBADRP C[NH2+][C@H](C(=O)NC[C@H]1COCC[NH2+]1)[C@@H](C)OC(C)(C)C ZINC001220429143 825035947 /nfs/dbraw/zinc/03/59/47/825035947.db2.gz LVYXXQFYJFSZTJ-WOPDTQHZSA-N 2 0 287.404 -0.117 20 0 CBADRP [NH3+]CCNCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001220429035 825036739 /nfs/dbraw/zinc/03/67/39/825036739.db2.gz KAGOFIAKXMSZOA-FOLVSLTJSA-N 2 0 288.395 -0.219 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC001220429193 825037389 /nfs/dbraw/zinc/03/73/89/825037389.db2.gz MVNGOKGDUGWTJX-RYUDHWBXSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+][C@H](C(=O)NCc1ccc2n[nH]nc2c1)C1CC[NH2+]CC1 ZINC001220426848 825037477 /nfs/dbraw/zinc/03/74/77/825037477.db2.gz QZWZUUTXBDFMOY-ZDUSSCGKSA-N 2 0 288.355 -0.099 20 0 CBADRP [NH3+][C@@H](C(=O)N[C@@H](CO)C(F)(F)F)C1CC[NH2+]CC1 ZINC001220447056 825038379 /nfs/dbraw/zinc/03/83/79/825038379.db2.gz BRVWHESQSSXTOL-JGVFFNPUSA-N 2 0 269.267 -0.647 20 0 CBADRP [NH3+][C@@H](C(=O)NC1CCN(CCF)CC1)C1CC[NH2+]CC1 ZINC001220436267 825038679 /nfs/dbraw/zinc/03/86/79/825038679.db2.gz SWBXOJFNSPYQQD-CYBMUJFWSA-N 2 0 286.395 -0.137 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC1CCN(CCF)CC1 ZINC001220435357 825039503 /nfs/dbraw/zinc/03/95/03/825039503.db2.gz HGUCRJCBNZXZRH-LLVKDONJSA-N 2 0 260.357 -0.397 20 0 CBADRP [NH3+][C@H](C(=O)N[C@@H](CO)C(F)(F)F)C1CC[NH2+]CC1 ZINC001220447058 825039583 /nfs/dbraw/zinc/03/95/83/825039583.db2.gz BRVWHESQSSXTOL-YUMQZZPRSA-N 2 0 269.267 -0.647 20 0 CBADRP O=C(N[C@H](CO)C(F)(F)F)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220448010 825041469 /nfs/dbraw/zinc/04/14/69/825041469.db2.gz UOJFJTGMYLHAMU-NQMVMOMDSA-N 2 0 281.278 -0.775 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCC(=O)Cc1ccccc1 ZINC001220462605 825044460 /nfs/dbraw/zinc/04/44/60/825044460.db2.gz IBFJTXPEKBPGPC-ZDUSSCGKSA-N 2 0 263.341 -0.019 20 0 CBADRP CC(C)NC(=O)[C@@H](NC(=O)[C@H]([NH3+])CCC[NH3+])C(C)C ZINC001220462833 825045041 /nfs/dbraw/zinc/04/50/41/825045041.db2.gz QGUAQJVQKIBFOF-MNOVXSKESA-N 2 0 272.393 -0.282 20 0 CBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)O1 ZINC001220481441 825045700 /nfs/dbraw/zinc/04/57/00/825045700.db2.gz HHMUPYREHWYXSG-HKUMRIAESA-N 2 0 285.388 -0.031 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1[nH]c(=O)nc2nc[nH]c21 ZINC001220471321 825046594 /nfs/dbraw/zinc/04/65/94/825046594.db2.gz IUDORDNWXAIMRR-YFKPBYRVSA-N 2 0 297.344 -0.984 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1[nH]c(=O)nc2nc[nH]c21 ZINC001220471324 825046996 /nfs/dbraw/zinc/04/69/96/825046996.db2.gz IYKURJKDTQEGFN-LURJTMIESA-N 2 0 279.304 -0.547 20 0 CBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C2CC[NH2+]CC2)O1 ZINC001220481478 825049086 /nfs/dbraw/zinc/04/90/86/825049086.db2.gz IYJZMDKKKNRINJ-BZPMIXESSA-N 2 0 285.388 -0.173 20 0 CBADRP [NH3+]C1(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCCC1 ZINC001220494276 825049492 /nfs/dbraw/zinc/04/94/92/825049492.db2.gz IOGNCJDUHSHAJZ-JTQLQIEISA-N 3 0 252.362 -0.817 20 0 CBADRP Cc1[nH][nH]c(=O)c1CCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220492649 825049508 /nfs/dbraw/zinc/04/95/08/825049508.db2.gz PFONUPQRLSBCBT-LLVKDONJSA-N 2 0 281.360 -0.591 20 0 CBADRP [NH3+][C@H](C(=O)NCC1([NH3+])CCCC1)C1CC[NH2+]CC1 ZINC001220497385 825049761 /nfs/dbraw/zinc/04/97/61/825049761.db2.gz UHAHSOUDXZHDNB-NSHDSACASA-N 3 0 254.378 -0.299 20 0 CBADRP [NH3+][C@H](CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)c1ccccc1 ZINC001220501827 825051516 /nfs/dbraw/zinc/05/15/16/825051516.db2.gz UTNWWYKZFFNMOD-RFQIPJPRSA-N 2 0 274.368 -0.248 20 0 CBADRP NC1(C(=O)NC[C@H]([NH3+])c2ccccc2)CC[NH2+]CC1 ZINC001220502130 825051980 /nfs/dbraw/zinc/05/19/80/825051980.db2.gz ZNNFJKHQZJZSSG-LBPRGKRZSA-N 2 0 262.357 -0.117 20 0 CBADRP [NH3+][C@@H](CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)c1ccccc1 ZINC001220501828 825052502 /nfs/dbraw/zinc/05/25/02/825052502.db2.gz UTNWWYKZFFNMOD-XDQVBPFNSA-N 2 0 274.368 -0.248 20 0 CBADRP C[C@@]1(C(=O)NCCOCCOCC[NH3+])CC[NH2+]C1 ZINC001220519394 825053412 /nfs/dbraw/zinc/05/34/12/825053412.db2.gz MSKPZMMHOHGISV-GFCCVEGCSA-N 2 0 259.350 -0.906 20 0 CBADRP CN(CC[NH3+])CCNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001220517558 825053731 /nfs/dbraw/zinc/05/37/31/825053731.db2.gz PYTCYVJKGKYTLL-AWEZNQCLSA-N 2 0 276.384 -0.292 20 0 CBADRP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)NCCN(C)CC[NH3+] ZINC001220515496 825053743 /nfs/dbraw/zinc/05/37/43/825053743.db2.gz DIXLAIKGAVDCIW-GHMZBOCLSA-N 2 0 274.409 -0.476 20 0 CBADRP [NH3+]CCOCCOCCNC(=O)C=C1CC[NH2+]CC1 ZINC001220519435 825054380 /nfs/dbraw/zinc/05/43/80/825054380.db2.gz OFEZRFWJECETEB-UHFFFAOYSA-N 2 0 271.361 -0.596 20 0 CBADRP CN(CC[NH3+])CCNC(=O)[C@H]1[NH2+]CCC[C@H]1C(F)(F)F ZINC001220515824 825054411 /nfs/dbraw/zinc/05/44/11/825054411.db2.gz LSYQZJHEOLBEBV-ZJUUUORDSA-N 2 0 296.337 -0.076 20 0 CBADRP O=C(NCc1cccc2ccnn21)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220553133 825060774 /nfs/dbraw/zinc/06/07/74/825060774.db2.gz HUDTTWNAZTWNPJ-ZDUSSCGKSA-N 2 0 285.351 -0.241 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCOc1ccccc1 ZINC001220564481 825063195 /nfs/dbraw/zinc/06/31/95/825063195.db2.gz BHKJXSHQYYGYEB-CQSZACIVSA-N 2 0 292.383 -0.111 20 0 CBADRP CC(C)(O)CCCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220573214 825065774 /nfs/dbraw/zinc/06/57/74/825065774.db2.gz IEIDXYGRTRDIGM-VIFPVBQESA-N 2 0 263.407 -0.327 20 0 CBADRP COC(=O)[C@@H](NC(=O)[C@H]([NH3+])CCC[NH3+])C(F)(F)F ZINC001220588564 825071739 /nfs/dbraw/zinc/07/17/39/825071739.db2.gz VAESVSBLYDAFDN-PHDIDXHHSA-N 2 0 271.239 -0.727 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001220583613 825072314 /nfs/dbraw/zinc/07/23/14/825072314.db2.gz QZTLJRAYVQBRDM-NXEZZACHSA-N 2 0 257.334 -0.536 20 0 CBADRP CC(=O)N1CC(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C1 ZINC001220597011 825072659 /nfs/dbraw/zinc/07/26/59/825072659.db2.gz RDTRZCFWVLKRFF-LBPRGKRZSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])c1ncc(F)cn1 ZINC001220598872 825074846 /nfs/dbraw/zinc/07/48/46/825074846.db2.gz GEXIQCBYOWTUSO-APPZFPTMSA-N 2 0 255.297 -0.141 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@H]1NC(=O)c2ccccc21 ZINC001220619474 825077105 /nfs/dbraw/zinc/07/71/05/825077105.db2.gz IFBGSSZZXIHODY-WDEREUQCSA-N 2 0 262.313 -0.389 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@H]1NC(=O)c2ccccc21 ZINC001220619471 825077949 /nfs/dbraw/zinc/07/79/49/825077949.db2.gz IFBGSSZZXIHODY-GHMZBOCLSA-N 2 0 262.313 -0.389 20 0 CBADRP [NH3+][C@H](C(=O)N[C@H]1NC(=O)c2ccccc21)C1CC[NH2+]CC1 ZINC001220620182 825078694 /nfs/dbraw/zinc/07/86/94/825078694.db2.gz QEEWFQAWJTYCAA-QWHCGFSZSA-N 2 0 288.351 -0.128 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220648871 825080782 /nfs/dbraw/zinc/08/07/82/825080782.db2.gz NCYBNTNWNLZWOY-CYBMUJFWSA-N 2 0 292.383 -0.578 20 0 CBADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220678607 825085271 /nfs/dbraw/zinc/08/52/71/825085271.db2.gz GCGASMQWGCTJDQ-MROQNXINSA-N 2 0 294.399 -0.894 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)COC)C[C@@H]1O ZINC001220688480 825086050 /nfs/dbraw/zinc/08/60/50/825086050.db2.gz IDRQJXIOGRBCGJ-UPJWGTAASA-N 2 0 287.404 -0.476 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220688618 825086539 /nfs/dbraw/zinc/08/65/39/825086539.db2.gz MTPHTQVAMFLGMG-MJBXVCDLSA-N 2 0 299.415 -0.474 20 0 CBADRP CC(C)(CC(=O)N1CCCC1)NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220687680 825087769 /nfs/dbraw/zinc/08/77/69/825087769.db2.gz RDJRAMMAVGUIFO-NSHDSACASA-N 2 0 284.404 -0.040 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)Nc1cccnc1C[NH3+] ZINC001220712189 825090584 /nfs/dbraw/zinc/09/05/84/825090584.db2.gz WKAMFWSKEVCRQV-NSHDSACASA-N 2 0 277.328 -0.572 20 0 CBADRP [NH3+]Cc1ncccc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220710981 825090699 /nfs/dbraw/zinc/09/06/99/825090699.db2.gz HOUTUPXXKNDDQP-LBPRGKRZSA-N 3 0 263.345 -0.194 20 0 CBADRP [NH3+]Cc1ncccc1NC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001220711429 825091390 /nfs/dbraw/zinc/09/13/90/825091390.db2.gz PFUHEYUZUDSWLI-KKFJDGPESA-N 2 0 261.329 -0.299 20 0 CBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001220716921 825092954 /nfs/dbraw/zinc/09/29/54/825092954.db2.gz UZWPJAVVAYAISH-FQUUOJAGSA-N 3 0 292.427 -0.073 20 0 CBADRP C[C@H]1COCCN1CCNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220725456 825094044 /nfs/dbraw/zinc/09/40/44/825094044.db2.gz RUOXGOSFWJGYCE-RYUDHWBXSA-N 2 0 272.393 -0.720 20 0 CBADRP O=C(NC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[NH2+]C[C@H]1O ZINC001220743629 825095024 /nfs/dbraw/zinc/09/50/24/825095024.db2.gz KHIHNVQZEAZHQL-ZIAGYGMSSA-N 2 0 290.367 -0.253 20 0 CBADRP CC(=O)NC[C@@H](C)CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220756296 825095876 /nfs/dbraw/zinc/09/58/76/825095876.db2.gz AKKSTTPYQAQCQU-BXKDBHETSA-N 2 0 270.377 -0.798 20 0 CBADRP COC(CCCNC(=O)[C@@H]([NH3+])CSCC[NH3+])OC ZINC001220741427 825096353 /nfs/dbraw/zinc/09/63/53/825096353.db2.gz OPVQCQDJPJWJET-VIFPVBQESA-N 2 0 279.406 -0.479 20 0 CBADRP N[C@]1(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]C1 ZINC001220743767 825096543 /nfs/dbraw/zinc/09/65/43/825096543.db2.gz OXOHESDWUJPFSK-OAHLLOKOSA-N 2 0 289.383 -0.143 20 0 CBADRP CC(=O)NCCCCCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220759377 825096820 /nfs/dbraw/zinc/09/68/20/825096820.db2.gz XIZGFHQZHRNHSC-NSHDSACASA-N 2 0 290.433 -0.572 20 0 CBADRP CCOCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771199 825100092 /nfs/dbraw/zinc/10/00/92/825100092.db2.gz IQFHHOSDQYIHKV-OLZOCXBDSA-N 2 0 297.399 -0.720 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@]34C[NH2+]C[C@@H]3CCN4)(C1)CCC2 ZINC001220777515 825101369 /nfs/dbraw/zinc/10/13/69/825101369.db2.gz UCEMYCHZFSVUSV-MHEUCROKSA-N 2 0 278.400 -0.142 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)[C@@H]1C[NH2+]CCN1 ZINC001220791200 825101992 /nfs/dbraw/zinc/10/19/92/825101992.db2.gz XFDFQWGKGDHXNK-IHRRRGAJSA-N 2 0 289.383 -0.590 20 0 CBADRP N[C@@H](C[NH3+])C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220788992 825102026 /nfs/dbraw/zinc/10/20/26/825102026.db2.gz IAUOBLUFVLUBCF-GRYCIOLGSA-N 2 0 263.345 -0.866 20 0 CBADRP O=C(NC[C@H]1CC[NH2+][C@@H]1c1cccnc1)[C@H]1C[NH2+]CCN1 ZINC001220791203 825102726 /nfs/dbraw/zinc/10/27/26/825102726.db2.gz XFDFQWGKGDHXNK-MGPQQGTHSA-N 2 0 289.383 -0.590 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220789073 825102820 /nfs/dbraw/zinc/10/28/20/825102820.db2.gz JAFHXVZGWHOQCK-XDQVBPFNSA-N 2 0 289.383 -0.605 20 0 CBADRP N[C@]1(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)CCC[NH2+]C1 ZINC001220803932 825104104 /nfs/dbraw/zinc/10/41/04/825104104.db2.gz MOVKFRKATJSFBL-ATZCPNFKSA-N 2 0 294.321 -0.276 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220806156 825104405 /nfs/dbraw/zinc/10/44/05/825104405.db2.gz YLHCGXVOFNGBDM-KDXUFGMBSA-N 2 0 281.278 -0.634 20 0 CBADRP O=C(NCc1ccc(O)cc1F)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220821379 825105339 /nfs/dbraw/zinc/10/53/39/825105339.db2.gz HHKWITJAPNVDRQ-LLVKDONJSA-N 2 0 279.315 -0.044 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]CC[C@H]2C)C[NH2+]C1 ZINC001220826811 825107081 /nfs/dbraw/zinc/10/70/81/825107081.db2.gz AKPLHHQPCMTYDR-NXEZZACHSA-N 2 0 281.356 -0.231 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[NH2+]C1 ZINC001220827039 825107210 /nfs/dbraw/zinc/10/72/10/825107210.db2.gz FTQSHTMVPFGFLQ-ATZCPNFKSA-N 2 0 279.340 -0.337 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]2[NH2+]CCC[C@H]2C)C[NH2+]C1 ZINC001220827406 825107949 /nfs/dbraw/zinc/10/79/49/825107949.db2.gz MIHCYIQXAXUOIR-SKDRFNHKSA-N 2 0 281.356 -0.089 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C[C@H]([NH3+])C2CC2)C[NH2+]C1 ZINC001220829029 825108024 /nfs/dbraw/zinc/10/80/24/825108024.db2.gz WCMSADLJWNQVHA-JTQLQIEISA-N 2 0 267.329 -0.350 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CC3(CC3)C[NH2+]2)C[NH2+]C1 ZINC001220829128 825108071 /nfs/dbraw/zinc/10/80/71/825108071.db2.gz YGUSHZRTPKQHHM-JTQLQIEISA-N 2 0 279.340 -0.335 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C[N@H+](C)C(C)C)C[NH2+]C1 ZINC001220827565 825108165 /nfs/dbraw/zinc/10/81/65/825108165.db2.gz SIZNDOQGGDWIDO-UHFFFAOYSA-N 2 0 269.345 -0.137 20 0 CBADRP CCOC(=O)C1=C(NC(=O)COC2CC[NH2+]CC2)C[NH2+]C1 ZINC001220827260 825108224 /nfs/dbraw/zinc/10/82/24/825108224.db2.gz KXLSZPQVCUBWNQ-UHFFFAOYSA-N 2 0 297.355 -0.708 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@]2(C)CCC[NH2+]2)C[NH2+]C1 ZINC001220828239 825108325 /nfs/dbraw/zinc/10/83/25/825108325.db2.gz JITTVWJEYKSXDI-CYBMUJFWSA-N 2 0 267.329 -0.335 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[NH2+]C1 ZINC001220827441 825108374 /nfs/dbraw/zinc/10/83/74/825108374.db2.gz NCUBNZBUMJYEMX-QNSHHTMESA-N 2 0 265.313 -0.727 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C[C@H]2CCC[NH2+]C2)C[NH2+]C1 ZINC001220827858 825108433 /nfs/dbraw/zinc/10/84/33/825108433.db2.gz AJWIBNFXKDLIST-SNVBAGLBSA-N 2 0 281.356 -0.087 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CC[NH2+]C[C@@H]2F)C[NH2+]C1 ZINC001220830046 825109673 /nfs/dbraw/zinc/10/96/73/825109673.db2.gz LNRKSDSOKJWCBB-SCZZXKLOSA-N 2 0 285.319 -0.529 20 0 CBADRP CSCC[C@H](NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C(N)=O ZINC001220840620 825110512 /nfs/dbraw/zinc/11/05/12/825110512.db2.gz QYPUGYRRBVMEDR-VHSXEESVSA-N 2 0 288.417 -0.964 20 0 CBADRP COC(=O)c1cncc(CNC(=O)[C@@H]([NH3+])CCCC[NH3+])c1 ZINC001220843509 825111300 /nfs/dbraw/zinc/11/13/00/825111300.db2.gz XLURZEPOIMGTKR-LBPRGKRZSA-N 2 0 294.355 -0.059 20 0 CBADRP CCOC(=O)[C@H](C)CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220849123 825111600 /nfs/dbraw/zinc/11/16/00/825111600.db2.gz SRZYDFGYQJPUIU-ZJUUUORDSA-N 2 0 269.345 -0.889 20 0 CBADRP CCOC(=O)C1(NC(=O)CC2CC[NH2+]CC2)C[NH2+]C1 ZINC001220851277 825111686 /nfs/dbraw/zinc/11/16/86/825111686.db2.gz ONKMIBPORZOKBE-UHFFFAOYSA-N 2 0 269.345 -0.603 20 0 CBADRP CCOC(=O)C1(NC(=O)C[C@@H]([NH3+])CC(C)C)C[NH2+]C1 ZINC001220850922 825112597 /nfs/dbraw/zinc/11/25/97/825112597.db2.gz ALPQDBJUZPYBAM-JTQLQIEISA-N 2 0 271.361 -0.229 20 0 CBADRP CCOC(=O)[C@H](C)CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220849120 825111880 /nfs/dbraw/zinc/11/18/80/825111880.db2.gz SRZYDFGYQJPUIU-NXEZZACHSA-N 2 0 269.345 -0.889 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH3+] ZINC001220853068 825112124 /nfs/dbraw/zinc/11/21/24/825112124.db2.gz KHWOAABWMKSWCR-GFCCVEGCSA-N 3 0 250.346 -0.172 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])C2CCCCC2)C[NH2+]C1 ZINC001220851438 825112497 /nfs/dbraw/zinc/11/24/97/825112497.db2.gz WCVWAOVQDGLEKF-NSHDSACASA-N 2 0 283.372 -0.085 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])COC(C)(C)C)C[NH2+]C1 ZINC001220853188 825112689 /nfs/dbraw/zinc/11/26/89/825112689.db2.gz PENIBLGJIJDFSC-VIFPVBQESA-N 2 0 287.360 -0.850 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@@H]2C[NH2+]CC2(C)C)C[NH2+]C1 ZINC001220853015 825112803 /nfs/dbraw/zinc/11/28/03/825112803.db2.gz HVZGJIZKLULBRD-VIFPVBQESA-N 2 0 269.345 -0.747 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220860010 825113423 /nfs/dbraw/zinc/11/34/23/825113423.db2.gz XPLAYDZCFPSGSB-IUCAKERBSA-N 3 0 262.423 -0.505 20 0 CBADRP O=C(NCCc1c[nH]c2cc[nH+]cc12)[C@H]1C[NH2+]C[C@@H]1O ZINC001220865826 825115268 /nfs/dbraw/zinc/11/52/68/825115268.db2.gz MIYCMJXDBMKANL-AAEUAGOBSA-N 2 0 274.324 -0.198 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)NCCc2c[nH]c3cc[nH+]cc23)C1 ZINC001220865967 825115367 /nfs/dbraw/zinc/11/53/67/825115367.db2.gz ORADXHDXKSJSNY-MFKMUULPSA-N 2 0 273.340 -0.089 20 0 CBADRP [NH3+][C@@H](Cc1cscn1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220881710 825118373 /nfs/dbraw/zinc/11/83/73/825118373.db2.gz NPJSTGSMOMPEPP-WPRPVWTQSA-N 2 0 254.359 -0.119 20 0 CBADRP CC(C)[NH+]1CCN(CC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC001220884716 825119793 /nfs/dbraw/zinc/11/97/93/825119793.db2.gz LFVIBXZNPIZIPF-ZDUSSCGKSA-N 2 0 268.405 -0.119 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001220886467 825119867 /nfs/dbraw/zinc/11/98/67/825119867.db2.gz DGIUCTXFMSTQSI-AVGNSLFASA-N 2 0 294.399 -0.402 20 0 CBADRP [NH3+]C1(C(=O)N[C@@H]2CCC[NH2+]C2)CCC2(CC1)OCCO2 ZINC001220887029 825120990 /nfs/dbraw/zinc/12/09/90/825120990.db2.gz SBZLOPRHDQAKNC-LLVKDONJSA-N 2 0 283.372 -0.131 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)c1cccnc1N1CC[NH2+]CC1 ZINC001220893216 825121060 /nfs/dbraw/zinc/12/10/60/825121060.db2.gz VWWNOVXLCYBRCG-LBPRGKRZSA-N 2 0 289.383 -0.027 20 0 CBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@H]2CCC[NH2+]C2)COC1(C)C ZINC001220889937 825121506 /nfs/dbraw/zinc/12/15/06/825121506.db2.gz QYAKVGDHGVTXQQ-DCAQKATOSA-N 2 0 298.387 -0.835 20 0 CBADRP CCC(=O)N1CC[C@H](NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001220907142 825122687 /nfs/dbraw/zinc/12/26/87/825122687.db2.gz IVIRWNRZKLROBO-WCQYABFASA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001220901214 825122946 /nfs/dbraw/zinc/12/29/46/825122946.db2.gz TVRSOLJVMCMDOL-ZJUUUORDSA-N 2 0 288.352 -0.961 20 0 CBADRP CC(C)(C)C(=O)C[NH+]1CCC(NC(=O)C[C@@H](O)C[NH3+])CC1 ZINC001220909022 825123581 /nfs/dbraw/zinc/12/35/81/825123581.db2.gz IEQSWXKLCKZMBW-GFCCVEGCSA-N 2 0 299.415 -0.108 20 0 CBADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C2COC2)CC1 ZINC001220930491 825123909 /nfs/dbraw/zinc/12/39/09/825123909.db2.gz QRARRXHECMXVNV-DENQIJMFSA-N 2 0 279.384 -0.051 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@H]1CCN(Cc2cccnc2)C1 ZINC001220914875 825124112 /nfs/dbraw/zinc/12/41/12/825124112.db2.gz DJKXTPQHVQEWBH-KBPBESRZSA-N 2 0 291.399 -0.162 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220936087 825125612 /nfs/dbraw/zinc/12/56/12/825125612.db2.gz CEOSWSGBZYYZGS-RYUDHWBXSA-N 3 0 272.393 -0.673 20 0 CBADRP O=C(NC1(c2ncccn2)CC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220931886 825125790 /nfs/dbraw/zinc/12/57/90/825125790.db2.gz CBPNIAYREWNTBT-SNVBAGLBSA-N 2 0 273.340 -0.609 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC001220933823 825126221 /nfs/dbraw/zinc/12/62/21/825126221.db2.gz BBQHPCFMAVDGBY-NEPJUHHUSA-N 2 0 277.372 -0.157 20 0 CBADRP Cc1noc(C2(NC(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)CC2)n1 ZINC001220932245 825126402 /nfs/dbraw/zinc/12/64/02/825126402.db2.gz JEFTVNAGLAYDFW-ZWNOBZJWSA-N 2 0 291.355 -0.318 20 0 CBADRP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)n1cc(C[NH3+])cnc1=N ZINC001220950654 825126992 /nfs/dbraw/zinc/12/69/92/825126992.db2.gz AZWWOGKDSJTKSK-PSASIEDQSA-N 2 0 281.360 -0.008 20 0 CBADRP [NH3+][C@H](C(=O)NCCO[C@@H]1CC[NH2+]C1)C1CCC(O)CC1 ZINC001220937658 825127948 /nfs/dbraw/zinc/12/79/48/825127948.db2.gz WZFDAKVIDVSKPS-TUUUFIMRSA-N 2 0 285.388 -0.641 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])CC(=O)n1cc(C[NH3+])cnc1=N ZINC001220951208 825129184 /nfs/dbraw/zinc/12/91/84/825129184.db2.gz TXCPZYSDMKXEPU-SNVBAGLBSA-N 2 0 281.360 -0.006 20 0 CBADRP CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220977824 825131726 /nfs/dbraw/zinc/13/17/26/825131726.db2.gz DDDOZZMDRJSGKB-MJBXVCDLSA-N 2 0 299.415 -0.476 20 0 CBADRP CC(C)Oc1nccc(CNC(=O)[C@H]([NH3+])CCC[NH3+])n1 ZINC001220988319 825132396 /nfs/dbraw/zinc/13/23/96/825132396.db2.gz IXPMPCRLEBQWAL-LLVKDONJSA-N 2 0 281.360 -0.054 20 0 CBADRP C[NH2+]CCC(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001221007104 825133448 /nfs/dbraw/zinc/13/34/48/825133448.db2.gz VTJXLPPNLWBAFQ-HAQNSBGRSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCO1 ZINC001221010682 825135743 /nfs/dbraw/zinc/13/57/43/825135743.db2.gz ODYXBXAIUZCTBU-ADEWGFFLSA-N 2 0 255.362 -0.003 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1ncn2ccccc12 ZINC001221007871 825136098 /nfs/dbraw/zinc/13/60/98/825136098.db2.gz GMFBGXTZPSCHJY-JTQLQIEISA-N 2 0 293.396 -0.030 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CC12CCC2 ZINC001221015472 825136776 /nfs/dbraw/zinc/13/67/76/825136776.db2.gz IZWDPINCOJIDSS-NWDGAFQWSA-N 2 0 266.389 -0.204 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1cn(CC2CC2)cn1 ZINC001221024125 825139086 /nfs/dbraw/zinc/13/90/86/825139086.db2.gz YTFBDPPDJQEKRL-LBPRGKRZSA-N 2 0 297.428 -0.072 20 0 CBADRP [NH3+]CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(F)cc1 ZINC001221061083 825139913 /nfs/dbraw/zinc/13/99/13/825139913.db2.gz ZRYIWZMGMQUDSP-NEPJUHHUSA-N 2 0 267.304 -0.302 20 0 CBADRP [NH3+]CCNCC(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001221056263 825140014 /nfs/dbraw/zinc/14/00/14/825140014.db2.gz LRPXIDCVPABPCC-JOCQHMNTSA-N 2 0 284.404 -0.706 20 0 CBADRP Cc1nccnc1CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221103795 825142754 /nfs/dbraw/zinc/14/27/54/825142754.db2.gz RFFOGPZASLQMNF-GFCCVEGCSA-N 2 0 292.387 -0.848 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCc1ccnn1CCF ZINC001221108298 825145510 /nfs/dbraw/zinc/14/55/10/825145510.db2.gz SEEMEQKAEUYGCL-NSHDSACASA-N 2 0 271.340 -0.075 20 0 CBADRP [NH3+]CCNCC(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221123685 825145516 /nfs/dbraw/zinc/14/55/16/825145516.db2.gz FUYUFGZEYBZDBP-UHFFFAOYSA-N 2 0 277.372 -0.675 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)CC1 ZINC001221133995 825146349 /nfs/dbraw/zinc/14/63/49/825146349.db2.gz FWZNOVPCVUJMHD-LBPRGKRZSA-N 2 0 295.387 -0.364 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@@H](N)CC[NH3+])CC1 ZINC001221134020 825146730 /nfs/dbraw/zinc/14/67/30/825146730.db2.gz HJZQMCJULGTVQC-JTQLQIEISA-N 2 0 258.366 -0.981 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCCc1ccc(CO)cc1 ZINC001221190543 825151721 /nfs/dbraw/zinc/15/17/21/825151721.db2.gz RGBLMTFHEGRJQE-CYBMUJFWSA-N 2 0 265.357 -0.096 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001221190680 825151742 /nfs/dbraw/zinc/15/17/42/825151742.db2.gz YDKAGQGKKQJVIX-UWVGGRQHSA-N 2 0 289.376 -0.475 20 0 CBADRP Cc1cccc([C@@H](CO)NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001221192550 825153242 /nfs/dbraw/zinc/15/32/42/825153242.db2.gz XBDYQEYCAJXOLK-UONOGXRCSA-N 2 0 289.379 -0.046 20 0 CBADRP CCCC[C@H](NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C(N)=O ZINC001221234902 825157057 /nfs/dbraw/zinc/15/70/57/825157057.db2.gz NJOHIIYBCWPDKT-QWRGUYRKSA-N 2 0 270.377 -0.526 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N[C@@]1(C)CCC[N@H+](C)C1 ZINC001221241446 825158364 /nfs/dbraw/zinc/15/83/64/825158364.db2.gz VRUBYUZVKHESMU-JSGCOSHPSA-N 2 0 279.388 -0.110 20 0 CBADRP C[C@@]1([NH3+])C[C@H](NC(=O)[C@@H]([NH3+])C2CCC(O)CC2)C1 ZINC001221238835 825158566 /nfs/dbraw/zinc/15/85/66/825158566.db2.gz DOXYJRXNSKZINC-VZTQHCMVSA-N 2 0 255.362 -0.139 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N[C@]1(C)CCC[N@H+](C)C1 ZINC001221241445 825159007 /nfs/dbraw/zinc/15/90/07/825159007.db2.gz VRUBYUZVKHESMU-GXTWGEPZSA-N 2 0 279.388 -0.110 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001221241342 825159241 /nfs/dbraw/zinc/15/92/41/825159241.db2.gz SQIVDFXKRNMTLV-GMXVVIOVSA-N 2 0 270.377 -0.384 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001221254809 825161566 /nfs/dbraw/zinc/16/15/66/825161566.db2.gz URFBKKSFJIYNGD-OUCADQQQSA-N 3 0 266.389 -0.747 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001221253917 825161969 /nfs/dbraw/zinc/16/19/69/825161969.db2.gz BMKZXZMZTVACAL-STQMWFEESA-N 3 0 280.416 -0.072 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001221254347 825162675 /nfs/dbraw/zinc/16/26/75/825162675.db2.gz LRYXTHYFMSMMNV-STQMWFEESA-N 2 0 284.404 -0.312 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001221254672 825162713 /nfs/dbraw/zinc/16/27/13/825162713.db2.gz RYYPHLHJDMAVQF-GVXVVHGQSA-N 2 0 252.362 -0.994 20 0 CBADRP CC(C)(O)[C@H](F)CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221260120 825163167 /nfs/dbraw/zinc/16/31/67/825163167.db2.gz IFBPZWIMZYILCR-DTWKUNHWSA-N 2 0 259.325 -0.979 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC1=CC(=O)NCC1 ZINC001221316597 825169511 /nfs/dbraw/zinc/16/95/11/825169511.db2.gz LSLMODLHWALUCT-JTQLQIEISA-N 2 0 254.334 -0.777 20 0 CBADRP O=C(NCc1cnc(Cl)cn1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221319236 825170556 /nfs/dbraw/zinc/17/05/56/825170556.db2.gz RTDIDCUJQQDJAP-VIFPVBQESA-N 2 0 281.747 -0.445 20 0 CBADRP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001221333330 825172317 /nfs/dbraw/zinc/17/23/17/825172317.db2.gz RQYQRQPKKLVVBH-RDBSUJKOSA-N 2 0 274.368 -0.412 20 0 CBADRP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001221332268 825172356 /nfs/dbraw/zinc/17/23/56/825172356.db2.gz IRZKTKCOXYYDHT-IHRRRGAJSA-N 2 0 275.352 -0.521 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC[C@@H](O)CF ZINC001221335697 825173920 /nfs/dbraw/zinc/17/39/20/825173920.db2.gz AZAFXTFJSPCIKF-QWRGUYRKSA-N 2 0 263.357 -0.071 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC[C@H]1CNC(=O)O1 ZINC001221368306 825177579 /nfs/dbraw/zinc/17/75/79/825177579.db2.gz FNOVALLCBJLRFX-QWRGUYRKSA-N 2 0 286.376 -0.293 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001221390590 825179648 /nfs/dbraw/zinc/17/96/48/825179648.db2.gz GSHWUYJSUWYZPC-MNOVXSKESA-N 3 0 287.383 -0.002 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001221388372 825179763 /nfs/dbraw/zinc/17/97/63/825179763.db2.gz CCNYECJWTVLVNA-ZDUSSCGKSA-N 3 0 284.408 -0.869 20 0 CBADRP NC1=CC=C(C2CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3O)CC2)[NH2+]C1 ZINC001221392841 825180076 /nfs/dbraw/zinc/18/00/76/825180076.db2.gz OAGMXNRIRDAQIH-JSGCOSHPSA-N 2 0 292.383 -0.865 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001221390591 825180139 /nfs/dbraw/zinc/18/01/39/825180139.db2.gz GSHWUYJSUWYZPC-QWRGUYRKSA-N 3 0 287.383 -0.002 20 0 CBADRP NC1=CC=C(C2CCN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)CC2)[NH2+]C1 ZINC001221393170 825180155 /nfs/dbraw/zinc/18/01/55/825180155.db2.gz XVKORDNIINOCOU-KBPBESRZSA-N 2 0 292.383 -0.723 20 0 CBADRP CC(C)N(C(=O)[C@H]1COC2(C[NH2+]C2)CN1)C(C)(C)C[NH3+] ZINC001221393992 825181263 /nfs/dbraw/zinc/18/12/63/825181263.db2.gz FWMSDOIWZVDETA-LLVKDONJSA-N 2 0 284.404 -0.709 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCOc1ccncc1 ZINC001221393374 825181787 /nfs/dbraw/zinc/18/17/87/825181787.db2.gz CCJDVCUHFKKKPL-NSHDSACASA-N 2 0 284.385 -0.404 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1ccno1 ZINC001221397605 825181833 /nfs/dbraw/zinc/18/18/33/825181833.db2.gz OYHRZAHDWFJYJD-BDAKNGLRSA-N 2 0 250.302 -0.339 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221400149 825182257 /nfs/dbraw/zinc/18/22/57/825182257.db2.gz ZUHYDRYWJQEKNO-LSDHHAIUSA-N 2 0 288.395 -0.279 20 0 CBADRP C[C@@]1(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCCOC1 ZINC001221402365 825182385 /nfs/dbraw/zinc/18/23/85/825182385.db2.gz FCAMDXNKUXEWOM-MRVWCRGKSA-N 2 0 267.373 -0.129 20 0 CBADRP C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)CC1 ZINC001221402869 825182799 /nfs/dbraw/zinc/18/27/99/825182799.db2.gz MXFFXJGYMZYSFI-RWMBFGLXSA-N 2 0 297.399 -0.674 20 0 CBADRP C[NH+](C)CC1CCC(NC(=O)[C@H]2[NH2+]CC[C@@H]2O)CC1 ZINC001221403120 825182808 /nfs/dbraw/zinc/18/28/08/825182808.db2.gz QROJDIJMCAYDKX-TYUFSLCMSA-N 2 0 269.389 -0.054 20 0 CBADRP C[NH+]1CCC(CO)(NC(=O)CC2CC[NH2+]CC2)CC1 ZINC001221403502 825183048 /nfs/dbraw/zinc/18/30/48/825183048.db2.gz UMGLPWNKZQQYRV-UHFFFAOYSA-N 2 0 269.389 -0.051 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221399767 825183345 /nfs/dbraw/zinc/18/33/45/825183345.db2.gz TZLQTJKBJHPRFC-AWEZNQCLSA-N 3 0 276.384 -0.245 20 0 CBADRP C[NH+]1CCC(CO)(NC(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001221402284 825183368 /nfs/dbraw/zinc/18/33/68/825183368.db2.gz BUUWWVCGONDPTL-NSHDSACASA-N 3 0 272.393 -0.984 20 0 CBADRP COc1cccc([C@H](C[NH3+])NC(=O)C[C@H](O)C[NH3+])c1 ZINC001221404208 825183809 /nfs/dbraw/zinc/18/38/09/825183809.db2.gz HLRILMRMQBRLNF-JQWIXIFHSA-N 2 0 267.329 -0.479 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)[C@@H](C)C1 ZINC001221405893 825184282 /nfs/dbraw/zinc/18/42/82/825184282.db2.gz CKYDREAEFBBDMV-LOWDOPEQSA-N 2 0 268.405 -0.089 20 0 CBADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]2C[NH2+]CCN2)c1 ZINC001221404529 825184320 /nfs/dbraw/zinc/18/43/20/825184320.db2.gz NBBLANHULUTFAX-STQMWFEESA-N 2 0 278.356 -0.627 20 0 CBADRP C[NH+](C)CC1CCC(NC(=O)[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001221403814 825184788 /nfs/dbraw/zinc/18/47/88/825184788.db2.gz YTVBJYXQPBTHRJ-IFWUJCSASA-N 2 0 269.389 -0.197 20 0 CBADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001221408074 825185114 /nfs/dbraw/zinc/18/51/14/825185114.db2.gz GUBRSKDRGPIUGH-SCUASFONSA-N 2 0 278.400 -0.559 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221408121 825185203 /nfs/dbraw/zinc/18/52/03/825185203.db2.gz HGJAFNWFJFZICW-VXGBXAGGSA-N 3 0 254.378 -0.443 20 0 CBADRP N[C@]1(C(=O)N[C@H](C2CCC2)C2C[NH2+]C2)CCC[NH2+]C1 ZINC001221410316 825185484 /nfs/dbraw/zinc/18/54/84/825185484.db2.gz QOQZCSVJNCIOLM-TZMCWYRMSA-N 2 0 266.389 -0.428 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)CNCC[NH3+])[C@@H](C)C1 ZINC001221410609 825185505 /nfs/dbraw/zinc/18/55/05/825185505.db2.gz SMDIDDDPHRDLOE-NWDGAFQWSA-N 2 0 256.394 -0.230 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)[C@H](C)C1 ZINC001221409896 825185581 /nfs/dbraw/zinc/18/55/81/825185581.db2.gz VLYXPNZIGUPLRY-XQHKEYJVSA-N 2 0 269.389 -0.056 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2N)[C@H](C)C1 ZINC001221409528 825185727 /nfs/dbraw/zinc/18/57/27/825185727.db2.gz OSQYEBRINRIXBZ-MROQNXINSA-N 2 0 268.405 -0.232 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)[C@H](C)C1 ZINC001221409882 825185777 /nfs/dbraw/zinc/18/57/77/825185777.db2.gz VLYXPNZIGUPLRY-FDYHWXHSSA-N 2 0 269.389 -0.056 20 0 CBADRP N[C@]1(C(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)CCC[NH2+]C1 ZINC001221410313 825185882 /nfs/dbraw/zinc/18/58/82/825185882.db2.gz QOQZCSVJNCIOLM-GXTWGEPZSA-N 2 0 266.389 -0.428 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221411381 825186862 /nfs/dbraw/zinc/18/68/62/825186862.db2.gz VZVFRYWWJFQCET-UONOGXRCSA-N 2 0 291.399 -0.206 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221791501 825193976 /nfs/dbraw/zinc/19/39/76/825193976.db2.gz ONLFKXFVMYEZNY-ZIAGYGMSSA-N 2 0 299.415 -0.520 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001221791677 825194082 /nfs/dbraw/zinc/19/40/82/825194082.db2.gz XQJDXSHNXGUYPR-VXGBXAGGSA-N 2 0 255.362 -0.537 20 0 CBADRP C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(CC(N)=O)C[C@H]32)CC1 ZINC001221773107 825194541 /nfs/dbraw/zinc/19/45/41/825194541.db2.gz XWSFUSORIQGESG-VXGBXAGGSA-N 2 0 294.399 -0.654 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCO)C[C@H]21 ZINC001221921645 825197476 /nfs/dbraw/zinc/19/74/76/825197476.db2.gz DGEZFBDRMBZWQS-CHWSQXEVSA-N 2 0 269.389 -0.147 20 0 CBADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001221950365 825197383 /nfs/dbraw/zinc/19/73/83/825197383.db2.gz DWKVWZYJZAPNPP-ZIAGYGMSSA-N 2 0 299.415 -0.520 20 0 CBADRP C([C@H]1[C@@H]2C[NH2+]C[C@H]12)[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222085773 825198780 /nfs/dbraw/zinc/19/87/80/825198780.db2.gz KMQZMCOACXQQEI-ITGUQSILSA-N 3 0 250.390 -0.521 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)O1 ZINC001222492516 825212040 /nfs/dbraw/zinc/21/20/40/825212040.db2.gz ZBLOGVCOYQQSBH-AVGNSLFASA-N 2 0 268.405 -0.263 20 0 CBADRP COC(=O)[C@H](C)C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491571 825213177 /nfs/dbraw/zinc/21/31/77/825213177.db2.gz FAPIROCAQVOJRA-WOPDTQHZSA-N 2 0 255.362 -0.179 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCOCCO)CC1 ZINC001226555547 825280062 /nfs/dbraw/zinc/28/00/62/825280062.db2.gz XPLKVKQDPXUYSY-CQSZACIVSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[C@H](C(=O)NC1CC[NH+](CCO)CC1)[NH+](C)C ZINC001227986691 825312073 /nfs/dbraw/zinc/31/20/73/825312073.db2.gz JVQMJLHBWHFHQB-GFCCVEGCSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[NH+](CC)CC(=O)NC1CC[NH+](CCO)CC1 ZINC001229664946 825333762 /nfs/dbraw/zinc/33/37/62/825333762.db2.gz ZDKGFBNPWRKMON-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP C[NH+](C)CCN1CCN(Cc2ccc(=O)[nH]n2)CCC1=O ZINC001232026450 825418524 /nfs/dbraw/zinc/41/85/24/825418524.db2.gz PRSGYSFXUCVCMF-UHFFFAOYSA-N 2 0 293.371 -0.222 20 0 CBADRP C(CN1CCN2CC[NH2+]C[C@@H]2C1)C1CC[NH2+]CC1 ZINC001234976806 825478995 /nfs/dbraw/zinc/47/89/95/825478995.db2.gz WKFXIQOTYJVSCC-CQSZACIVSA-N 2 0 252.406 -0.035 20 0 CBADRP C(CN1CCNC[C@]12CC[NH2+]C2)[C@H]1C[NH2+]CCO1 ZINC001234981590 825480415 /nfs/dbraw/zinc/48/04/15/825480415.db2.gz OTHVDCGYVYWFPY-QWHCGFSZSA-N 2 0 254.378 -0.998 20 0 CBADRP c1nc2n(c1CN1CCNC[C@@]13CC[NH2+]C3)CC[NH2+]CC2 ZINC001234982278 825480429 /nfs/dbraw/zinc/48/04/29/825480429.db2.gz OREFQBDSTRPGER-HNNXBMFYSA-N 2 0 290.415 -0.834 20 0 CBADRP CC1(C)O[C@@H]2O[C@@H](CN3CCC4(C[NH2+]C4)C3)[C@@H](O)[C@@H]2O1 ZINC001235025256 825481537 /nfs/dbraw/zinc/48/15/37/825481537.db2.gz YTSJILCHMONNRM-USZNOCQGSA-N 2 0 284.356 -0.481 20 0 CBADRP C(CN1CCN[C@@]2(CC[NH2+]C2)C1)[C@H]1C[NH2+]CCO1 ZINC001235054201 825485324 /nfs/dbraw/zinc/48/53/24/825485324.db2.gz VEGOULSFCXMUOO-QWHCGFSZSA-N 2 0 254.378 -0.998 20 0 CBADRP FC1(CN2CCN[C@@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001235054373 825485670 /nfs/dbraw/zinc/48/56/70/825485670.db2.gz WVWRQZOFZGHZPE-CYBMUJFWSA-N 2 0 256.369 -0.285 20 0 CBADRP CC1(C)O[C@@H]2O[C@@H](C[NH+]3CC4(C3)CC[NH2+]CC4)[C@@H](O)[C@@H]2O1 ZINC001235088629 825486165 /nfs/dbraw/zinc/48/61/65/825486165.db2.gz JWFLHOKNEGEAPT-RNJOBUHISA-N 2 0 298.383 -0.091 20 0 CBADRP O=C1CCC[C@@]2(C[NH2+]CCN(CCCCO)C2)N1 ZINC001235173647 825486766 /nfs/dbraw/zinc/48/67/66/825486766.db2.gz DHYPCIVJIAUJQN-ZDUSSCGKSA-N 2 0 255.362 -0.297 20 0 CBADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](CCO)C2 ZINC001235331774 825492223 /nfs/dbraw/zinc/49/22/23/825492223.db2.gz ZMANRYOCJPKXMK-XZUYRWCXSA-N 2 0 254.330 -0.691 20 0 CBADRP C[C@H]([NH3+])CN1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001235519534 825499352 /nfs/dbraw/zinc/49/93/52/825499352.db2.gz XRDBWWMOTKSYFD-AVGNSLFASA-N 2 0 277.372 -0.039 20 0 CBADRP [NH3+]CCN1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001235516494 825499540 /nfs/dbraw/zinc/49/95/40/825499540.db2.gz JKZHEGWLQYFQFO-VXGBXAGGSA-N 2 0 263.345 -0.427 20 0 CBADRP COCC[N@@H+]1CCO[C@@H]2C[NH+](CCO)CC[C@@H]2C1 ZINC001235567087 825504577 /nfs/dbraw/zinc/50/45/77/825504577.db2.gz CJZMQGDOVLVVEN-CHWSQXEVSA-N 2 0 258.362 -0.352 20 0 CBADRP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CCC[C@H](C[NH3+])C3)[C@@H](O)[C@@H]2O1 ZINC001235674317 825511690 /nfs/dbraw/zinc/51/16/90/825511690.db2.gz RPPAATRXCRIFIW-FHUSYTEZSA-N 2 0 286.372 -0.106 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN(CC[C@H]2COC(C)(C)[NH2+]2)C1 ZINC001235778102 825513835 /nfs/dbraw/zinc/51/38/35/825513835.db2.gz VNQUSTJPBGBFJB-WOPDTQHZSA-N 2 0 285.388 -0.077 20 0 CBADRP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC[C@H](C[NH3+])C3)[C@@H](O)[C@@H]2O1 ZINC001235751426 825513958 /nfs/dbraw/zinc/51/39/58/825513958.db2.gz YTOGDMXHSWSHAR-LVEVGFFFSA-N 2 0 272.345 -0.496 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN(C[C@@H]2CCCC[NH2+]2)C1 ZINC001235775790 825514121 /nfs/dbraw/zinc/51/41/21/825514121.db2.gz RQMKOODZFOWBLL-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP C(C[NH+]1CCNCC[NH2+]CCNCC1)C1CC[NH2+]CC1 ZINC001235864062 825515264 /nfs/dbraw/zinc/51/52/64/825515264.db2.gz AUDUHONMHPJTKO-UHFFFAOYSA-N 3 0 283.464 -0.540 20 0 CBADRP Cc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)[nH]1 ZINC001235868935 825515906 /nfs/dbraw/zinc/51/59/06/825515906.db2.gz HGXZFYMLJVMWQJ-UHFFFAOYSA-N 2 0 265.405 -0.092 20 0 CBADRP C1=CO[C@H](CN2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001235868477 825515913 /nfs/dbraw/zinc/51/59/13/825515913.db2.gz FFSOUCXYJUSGIY-AWEZNQCLSA-N 2 0 268.405 -0.237 20 0 CBADRP CNc1ncccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870201 825516325 /nfs/dbraw/zinc/51/63/25/825516325.db2.gz FTMNAVLAISLSOG-UHFFFAOYSA-N 2 0 292.431 -0.292 20 0 CBADRP Cc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)[nH]n1 ZINC001235871927 825516521 /nfs/dbraw/zinc/51/65/21/825516521.db2.gz ZGZXBGVAESCFLX-UHFFFAOYSA-N 2 0 266.393 -0.697 20 0 CBADRP Fc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)ccn1 ZINC001235871442 825516535 /nfs/dbraw/zinc/51/65/35/825516535.db2.gz RLQPDJWZENDDPL-UHFFFAOYSA-N 2 0 281.379 -0.195 20 0 CBADRP C([C@@H]1CCCOC1)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235870154 825516689 /nfs/dbraw/zinc/51/66/89/825516689.db2.gz ODRGZMUMEKBNEV-AWEZNQCLSA-N 2 0 270.421 -0.503 20 0 CBADRP Fc1ncccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870845 825516912 /nfs/dbraw/zinc/51/69/12/825516912.db2.gz LNAZLGCVFSWLTN-UHFFFAOYSA-N 2 0 281.379 -0.195 20 0 CBADRP O=c1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc[nH]1 ZINC001235871066 825516945 /nfs/dbraw/zinc/51/69/45/825516945.db2.gz SABYIJHWMMAFDX-UHFFFAOYSA-N 2 0 279.388 -0.628 20 0 CBADRP Oc1cc(O)cc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235870217 825516978 /nfs/dbraw/zinc/51/69/78/825516978.db2.gz GLEARYNQCQERGL-UHFFFAOYSA-N 2 0 294.399 -0.318 20 0 CBADRP Nc1cccc(CN2CC[NH2+]CCNCC[NH2+]CC2)n1 ZINC001235870520 825516989 /nfs/dbraw/zinc/51/69/89/825516989.db2.gz JTLHIKBHEWOUQD-UHFFFAOYSA-N 2 0 278.404 -0.752 20 0 CBADRP C[N@@H+]1CCC[C@H](CN2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001235871789 825517000 /nfs/dbraw/zinc/51/70/00/825517000.db2.gz XKEGAQGBXZVSIA-HNNXBMFYSA-N 3 0 283.464 -0.587 20 0 CBADRP c1coc(CN2CC[NH2+]CCNCC[NH2+]CC2)n1 ZINC001235872065 825517023 /nfs/dbraw/zinc/51/70/23/825517023.db2.gz ZEAGVKWIQZJMLK-UHFFFAOYSA-N 2 0 253.350 -0.741 20 0 CBADRP Nc1ccc(F)cc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871227 825517040 /nfs/dbraw/zinc/51/70/40/825517040.db2.gz SJLPLWLIYRCLNE-UHFFFAOYSA-N 2 0 295.406 -0.008 20 0 CBADRP CCn1cncc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235874166 825517454 /nfs/dbraw/zinc/51/74/54/825517454.db2.gz LZSWVEOKPLHCKT-UHFFFAOYSA-N 2 0 280.420 -0.513 20 0 CBADRP Cc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(N)n1 ZINC001235872133 825518428 /nfs/dbraw/zinc/51/84/28/825518428.db2.gz ZWTWNTGHELXCBW-UHFFFAOYSA-N 2 0 292.431 -0.443 20 0 CBADRP CCc1n[nH]cc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235872967 825518738 /nfs/dbraw/zinc/51/87/38/825518738.db2.gz DLYUNGHUFWZXMB-UHFFFAOYSA-N 2 0 280.420 -0.444 20 0 CBADRP C[NH2+]CCN1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236021807 825519340 /nfs/dbraw/zinc/51/93/40/825519340.db2.gz JQTNQLABNIHKCK-CZXHOFHRSA-N 2 0 267.373 -0.464 20 0 CBADRP [NH3+][C@@]12CC[C@@H]1CN(Cc1cnc3n1CC[NH2+]CC3)C2 ZINC001235978375 825519752 /nfs/dbraw/zinc/51/97/52/825519752.db2.gz JCNXYLIOTXFVTL-BXUZGUMPSA-N 2 0 261.373 -0.048 20 0 CBADRP CCOC(=O)[C@]12CN(C[C@H]3COCC[NH2+]3)C[C@H]1C[NH2+]CC2 ZINC001236037310 825519832 /nfs/dbraw/zinc/51/98/32/825519832.db2.gz GGUSQYSAMHEPJS-VNHYZAJKSA-N 2 0 297.399 -0.551 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1CC1(C)CC[NH2+]CC1 ZINC001236053436 825521503 /nfs/dbraw/zinc/52/15/03/825521503.db2.gz WMVZSNQRUGDWRJ-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1c[nH+]ccc1N ZINC001236196130 825522815 /nfs/dbraw/zinc/52/28/15/825522815.db2.gz JDSDZVCHINIECA-KOLCDFICSA-N 2 0 250.302 -0.431 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1CC1(C)CC[NH2+]CC1 ZINC001236197344 825524351 /nfs/dbraw/zinc/52/43/51/825524351.db2.gz QYNSAQHLPBDZKM-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP COC(=O)[C@H]1C[N@H+](CC2(C)CC[NH2+]CC2)C[C@@H]1N ZINC001236340016 825527017 /nfs/dbraw/zinc/52/70/17/825527017.db2.gz GWULVILKTCXGEO-QWRGUYRKSA-N 2 0 255.362 -0.192 20 0 CBADRP Nc1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])ccn1 ZINC001236310605 825527335 /nfs/dbraw/zinc/52/73/35/825527335.db2.gz IXZAOXNMZPSFKX-UHFFFAOYSA-N 2 0 294.403 -0.720 20 0 CBADRP COC(=O)[C@@H]1CN(CC[C@H]2COC(C)(C)[NH2+]2)C[C@@H]1[NH3+] ZINC001236345799 825528039 /nfs/dbraw/zinc/52/80/39/825528039.db2.gz VARJVAQHQWXNAC-AXFHLTTASA-N 2 0 271.361 -0.467 20 0 CBADRP COC(=O)[C@H]1CN(Cc2ccc3n2CC[NH2+]C3)C[C@H]1[NH3+] ZINC001236344393 825528652 /nfs/dbraw/zinc/52/86/52/825528652.db2.gz BRXGVPBIWADWMK-QWHCGFSZSA-N 2 0 278.356 -0.477 20 0 CBADRP COC(=O)[C@@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)C[C@H]1[NH3+] ZINC001236349305 825529790 /nfs/dbraw/zinc/52/97/90/825529790.db2.gz GKHXJIMOUQRZNG-RKDXNWHRSA-N 2 0 296.396 -0.279 20 0 CBADRP COC(=O)[C@@H]1CN(CC[C@H]2CCCC[NH2+]2)C[C@@H]1[NH3+] ZINC001236346157 825529861 /nfs/dbraw/zinc/52/98/61/825529861.db2.gz WWXKWERVSFBFIV-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(CCCC[NH3+])CC2 ZINC001237066163 825533883 /nfs/dbraw/zinc/53/38/83/825533883.db2.gz XLOZEZVQRNDZGQ-WCQYABFASA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1cccc(CN2CC[NH2+]CC2)c1 ZINC001237677085 825541988 /nfs/dbraw/zinc/54/19/88/825541988.db2.gz XKPDJKVYKIKHQV-UHFFFAOYSA-N 2 0 298.412 -0.208 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1ccccc1N1CC[NH2+]CC1 ZINC001237726823 825542165 /nfs/dbraw/zinc/54/21/65/825542165.db2.gz KBCLIRQOFWNBPW-UHFFFAOYSA-N 2 0 284.385 -0.203 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1CC[NH2+]C[C@H]1F ZINC001238049048 825545793 /nfs/dbraw/zinc/54/57/93/825545793.db2.gz CUTHIISXLOTRJT-MNOVXSKESA-N 2 0 279.381 -0.395 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001238085541 825546374 /nfs/dbraw/zinc/54/63/74/825546374.db2.gz KTYLEHDJHDUJPB-MNOVXSKESA-N 2 0 279.381 -0.395 20 0 CBADRP C[C@@H]1CC[C@H](CNS(=O)(=O)[C@H]2CC[NH2+]C2)C[NH2+]1 ZINC001238069234 825546452 /nfs/dbraw/zinc/54/64/52/825546452.db2.gz XEPPJQQRPMHAOD-VWYCJHECSA-N 2 0 261.391 -0.344 20 0 CBADRP CCS(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238241731 825549420 /nfs/dbraw/zinc/54/94/20/825549420.db2.gz KYDWVEBWNFUTMI-JTQLQIEISA-N 2 0 261.391 -0.200 20 0 CBADRP C[C@H]1C[NH2+]C[C@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238187505 825549439 /nfs/dbraw/zinc/54/94/39/825549439.db2.gz NHTMGTZDCOFFBU-GXSJLCMTSA-N 2 0 261.391 -0.487 20 0 CBADRP CN(C)S(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238231196 825549572 /nfs/dbraw/zinc/54/95/72/825549572.db2.gz WUFPCFOEXYZNDF-JTQLQIEISA-N 2 0 276.406 -0.743 20 0 CBADRP COCCS(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238239542 825549868 /nfs/dbraw/zinc/54/98/68/825549868.db2.gz DGFUABUJEFKWDB-NSHDSACASA-N 2 0 291.417 -0.574 20 0 CBADRP [NH3+][C@H]1CC[C@@H](NS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001238522495 825554432 /nfs/dbraw/zinc/55/44/32/825554432.db2.gz GBERIEOYFMQYLV-WDEREUQCSA-N 2 0 261.391 -0.215 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238583487 825556340 /nfs/dbraw/zinc/55/63/40/825556340.db2.gz SYRWVTQWOPXRLW-GHMZBOCLSA-N 2 0 261.391 -0.215 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@]1(CCO)CC[NH2+]C1 ZINC001238625725 825557303 /nfs/dbraw/zinc/55/73/03/825557303.db2.gz NFAXCLPVPGKJBY-LBPRGKRZSA-N 2 0 291.417 -0.980 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@]1(CCO)CC[NH2+]C1 ZINC001238625724 825557679 /nfs/dbraw/zinc/55/76/79/825557679.db2.gz NFAXCLPVPGKJBY-GFCCVEGCSA-N 2 0 291.417 -0.980 20 0 CBADRP [NH3+]C[C@@H](NS(=O)(=O)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC001238911485 825570590 /nfs/dbraw/zinc/57/05/90/825570590.db2.gz RAPDLEMRGNZDRP-VXGBXAGGSA-N 2 0 269.370 -0.032 20 0 CBADRP COc1cccc([C@@H](C[NH3+])NS(=O)(=O)CC[NH3+])c1 ZINC001238914269 825571188 /nfs/dbraw/zinc/57/11/88/825571188.db2.gz ZZKWJYYUQPKLLY-LLVKDONJSA-N 2 0 273.358 -0.427 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](NS(=O)(=O)CC[NH3+])[C@@H](C)C1 ZINC001238912356 825571361 /nfs/dbraw/zinc/57/13/61/825571361.db2.gz LIGHDRDUGLOLTO-WDEREUQCSA-N 2 0 263.407 -0.017 20 0 CBADRP CC[NH+](CC)CCN1CCN(S(=O)(=O)CC[NH3+])CC1 ZINC001238917866 825572413 /nfs/dbraw/zinc/57/24/13/825572413.db2.gz VPFKNRZUBJBZQF-UHFFFAOYSA-N 2 0 292.449 -0.766 20 0 CBADRP C[C@]1([NH3+])CCCN(S(=O)(=O)[C@H]2CC[NH2+]C2)CC1 ZINC001238937281 825574300 /nfs/dbraw/zinc/57/43/00/825574300.db2.gz UJHBPACFRLAUAC-QWRGUYRKSA-N 2 0 261.391 -0.119 20 0 CBADRP [NH3+][C@@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@H]1F ZINC001238948888 825576249 /nfs/dbraw/zinc/57/62/49/825576249.db2.gz DSXHPUYXSYCCIT-GHMZBOCLSA-N 2 0 279.381 -0.313 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(S(=O)(=O)[C@H]2CC[NH2+]C2)CC1 ZINC001238943720 825576435 /nfs/dbraw/zinc/57/64/35/825576435.db2.gz FYJRAFDGAWMLMT-WDEREUQCSA-N 2 0 279.381 -0.169 20 0 CBADRP [NH3+][C@@H]1CCN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CC[C@H]1F ZINC001238962297 825577304 /nfs/dbraw/zinc/57/73/04/825577304.db2.gz GQZAAKKCJLKNQR-OPRDCNLKSA-N 2 0 265.354 -0.561 20 0 CBADRP [NH3+][C@@H]1CCN(S(=O)(=O)C2CC[NH2+]CC2)CC[C@H]1F ZINC001238968045 825578631 /nfs/dbraw/zinc/57/86/31/825578631.db2.gz PRXUDTXTOITLMO-GHMZBOCLSA-N 2 0 279.381 -0.171 20 0 CBADRP [NH3+][C@@H]1C[C@H](F)CN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001238978070 825581000 /nfs/dbraw/zinc/58/10/00/825581000.db2.gz ZHYSBWQEIXKDTQ-WDEREUQCSA-N 2 0 279.381 -0.313 20 0 CBADRP [NH3+]CCS(=O)(=O)N1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001239012361 825581851 /nfs/dbraw/zinc/58/18/51/825581851.db2.gz SGCCBGZYGPDEFT-STQMWFEESA-N 2 0 281.381 -0.154 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001239049109 825583868 /nfs/dbraw/zinc/58/38/68/825583868.db2.gz QQBDRHBSBUZBHP-OLZOCXBDSA-N 2 0 287.429 0.000 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001239060422 825583922 /nfs/dbraw/zinc/58/39/22/825583922.db2.gz UEKHSASMOZVIBB-NWDGAFQWSA-N 2 0 273.402 -0.391 20 0 CBADRP O=S(=O)([C@H]1CC[NH2+]C1)N1CCCC[C@]12CC[NH2+]C2 ZINC001239043939 825584139 /nfs/dbraw/zinc/58/41/39/825584139.db2.gz ZCUQNOJCKVGPDI-NWDGAFQWSA-N 2 0 273.402 -0.104 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001239045113 825584295 /nfs/dbraw/zinc/58/42/95/825584295.db2.gz NNYGHMAOFMHCHD-CHWSQXEVSA-N 2 0 287.429 -0.143 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001239073269 825585564 /nfs/dbraw/zinc/58/55/64/825585564.db2.gz LCCPJBBHMIXVMS-VXGBXAGGSA-N 2 0 275.418 -0.014 20 0 CBADRP CC(C)N(CC[NH3+])S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239100856 825587662 /nfs/dbraw/zinc/58/76/62/825587662.db2.gz PCGHCEKKZOKPME-UHFFFAOYSA-N 2 0 263.407 -0.015 20 0 CBADRP CCC1([NH3+])CN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001239118534 825590014 /nfs/dbraw/zinc/59/00/14/825590014.db2.gz FCEDPCISZLWKLV-UHFFFAOYSA-N 2 0 261.391 -0.261 20 0 CBADRP C[C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CCC[NH2+]1 ZINC001239115256 825590433 /nfs/dbraw/zinc/59/04/33/825590433.db2.gz ZVKHJIZRVVIMJC-NSHDSACASA-N 2 0 275.418 0.000 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001239136798 825593702 /nfs/dbraw/zinc/59/37/02/825593702.db2.gz MRFCYQJXNJRCRZ-BQBZGAKWSA-N 2 0 275.296 -0.514 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001239136801 825593786 /nfs/dbraw/zinc/59/37/86/825593786.db2.gz MRFCYQJXNJRCRZ-RQJHMYQMSA-N 2 0 275.296 -0.514 20 0 CBADRP CC[C@H]([NH3+])CN(C)S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239167730 825595007 /nfs/dbraw/zinc/59/50/07/825595007.db2.gz SZXWSEMADBLRDS-NSHDSACASA-N 2 0 263.407 -0.015 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CC(F)(F)CC[C@@H]1C[NH3+] ZINC001239173182 825595212 /nfs/dbraw/zinc/59/52/12/825595212.db2.gz CRRABLODTLWZDD-SSDOTTSWSA-N 2 0 257.306 -0.667 20 0 CBADRP [NH3+]CCS(=O)(=O)N(Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001239145021 825595432 /nfs/dbraw/zinc/59/54/32/825595432.db2.gz ZBBBTLHRJOOKPR-CYBMUJFWSA-N 2 0 298.412 -0.076 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001239161724 825595690 /nfs/dbraw/zinc/59/56/90/825595690.db2.gz RIEXPGHMLHIJTL-LLVKDONJSA-N 2 0 277.390 -0.929 20 0 CBADRP Cc1cc(N2CCN(S(=O)(=O)CC[NH3+])CC2)cc[nH+]1 ZINC001239153339 825595811 /nfs/dbraw/zinc/59/58/11/825595811.db2.gz DGXSEJJIXJFKMV-UHFFFAOYSA-N 2 0 284.385 -0.199 20 0 CBADRP O=S(=O)([C@@H]1CC[NH2+]C1)N1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001239184639 825596392 /nfs/dbraw/zinc/59/63/92/825596392.db2.gz UGSOUIIAYCMHGN-UTUOFQBUSA-N 2 0 273.402 -0.248 20 0 CBADRP O=S(=O)([C@@H]1CC[NH2+]C1)N1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001239184633 825596448 /nfs/dbraw/zinc/59/64/48/825596448.db2.gz UGSOUIIAYCMHGN-IJLUTSLNSA-N 2 0 273.402 -0.248 20 0 CBADRP COCNC(=S)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239363234 825600472 /nfs/dbraw/zinc/60/04/72/825600472.db2.gz LWXBYLMSGGQNAL-JTQLQIEISA-N 2 0 272.418 -0.071 20 0 CBADRP CC[NH+](CC)CCCNC(=S)N1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001239414725 825603616 /nfs/dbraw/zinc/60/36/16/825603616.db2.gz OPKZECMCBLENPS-RYUDHWBXSA-N 2 0 288.461 -0.156 20 0 CBADRP [NH3+]CCNC(=S)N1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001239423939 825604006 /nfs/dbraw/zinc/60/40/06/825604006.db2.gz JZJCLJFJHZPPLO-LBPRGKRZSA-N 2 0 271.434 -0.763 20 0 CBADRP c1nc2c(c(-c3cnc(N4CC[NH2+]CC4)nc3)n1)C[NH2+]C2 ZINC001241895344 825609361 /nfs/dbraw/zinc/60/93/61/825609361.db2.gz UCHORFXCTUWDGQ-UHFFFAOYSA-N 2 0 283.339 -0.054 20 0 CBADRP C[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)CC2(O)CC[NH2+]CC2)C[NH2+]1 ZINC001245977543 825615880 /nfs/dbraw/zinc/61/58/80/825615880.db2.gz WRIJRJQCGBABKX-MCIONIFRSA-N 3 0 285.432 -0.170 20 0 CBADRP O[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1F)CC1(O)CC[NH2+]CC1 ZINC001245973976 825616999 /nfs/dbraw/zinc/61/69/99/825616999.db2.gz LUEBLPSZMYWXAK-SDDRHHMPSA-N 2 0 275.368 -0.859 20 0 CBADRP CC(C)OC[C@H](O)C[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001245991692 825617424 /nfs/dbraw/zinc/61/74/24/825617424.db2.gz WEJAELBMPLJVOY-CQSZACIVSA-N 2 0 271.405 -0.202 20 0 CBADRP CC[NH+](CC)C[C@H](O)CNC1CN(C2CC[NH2+]CC2)C1 ZINC001245987153 825617436 /nfs/dbraw/zinc/61/74/36/825617436.db2.gz CGHYGTWAEJEJCW-OAHLLOKOSA-N 2 0 284.448 -0.285 20 0 CBADRP CC(C)(C)OC(=O)[C@H](O)C[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001245985422 825617523 /nfs/dbraw/zinc/61/75/23/825617523.db2.gz BDSHUIOKNZRHBW-CYBMUJFWSA-N 2 0 299.415 -0.285 20 0 CBADRP OC1(C[NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)CCOCC1 ZINC001245989227 825618107 /nfs/dbraw/zinc/61/81/07/825618107.db2.gz ZAHNVERQKBZQNY-CYBMUJFWSA-N 2 0 283.416 -0.008 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN[C@@H]1C[NH2+]C[C@@H]1CO ZINC001245997514 825619127 /nfs/dbraw/zinc/61/91/27/825619127.db2.gz UNKXOQXSAILGOH-LXTVHRRPSA-N 2 0 279.384 -0.913 20 0 CBADRP CC(C)(C)OC[C@@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246005233 825619615 /nfs/dbraw/zinc/61/96/15/825619615.db2.gz FAXGVQZQGSDHSV-QWRGUYRKSA-N 2 0 275.393 -0.265 20 0 CBADRP O[C@@H](CN[C@@H]1CCC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001246008822 825620400 /nfs/dbraw/zinc/62/04/00/825620400.db2.gz FTEMQCWLKTZXAI-VXGBXAGGSA-N 2 0 257.378 -0.807 20 0 CBADRP CC(C)OC[C@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246006052 825620545 /nfs/dbraw/zinc/62/05/45/825620545.db2.gz GULJWNWDQGYUAQ-MNOVXSKESA-N 2 0 261.366 -0.655 20 0 CBADRP O[C@H](CN[C@@H]1CCC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001246008820 825621122 /nfs/dbraw/zinc/62/11/22/825621122.db2.gz FTEMQCWLKTZXAI-NEPJUHHUSA-N 2 0 257.378 -0.807 20 0 CBADRP [NH3+]CCCC[C@H](NC[C@@]1(O)CC[NH2+]C1)C(=O)N1CCCC1 ZINC001246018973 825621877 /nfs/dbraw/zinc/62/18/77/825621877.db2.gz HXKANQVRNXWANN-DZGCQCFKSA-N 2 0 298.431 -0.580 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C[C@H](O)COC(C)C ZINC001246017450 825621896 /nfs/dbraw/zinc/62/18/96/825621896.db2.gz BEJDQJIOTRSONN-RYUDHWBXSA-N 2 0 275.393 -0.395 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246018421 825622865 /nfs/dbraw/zinc/62/28/65/825622865.db2.gz DQCXCVWQXKAPJA-KGLIPLIRSA-N 3 0 273.421 -0.135 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C[C@@H](O)COC(C)C ZINC001246017448 825623106 /nfs/dbraw/zinc/62/31/06/825623106.db2.gz BEJDQJIOTRSONN-NEPJUHHUSA-N 2 0 275.393 -0.395 20 0 CBADRP [NH3+]C[C@H]1C[N@H+](C[C@@H](O)COCc2ccco2)C[C@H]1O ZINC001246024560 825623541 /nfs/dbraw/zinc/62/35/41/825623541.db2.gz UWSAZGKUUQPSKV-DMDPSCGWSA-N 2 0 270.329 -0.592 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246021765 825624395 /nfs/dbraw/zinc/62/43/95/825624395.db2.gz MBCRPDGXAPRNOD-LXTVHRRPSA-N 2 0 279.384 -0.689 20 0 CBADRP OC1(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CCOCC1 ZINC001246024198 825624833 /nfs/dbraw/zinc/62/48/33/825624833.db2.gz GTRWOYLAOIGCTK-GFCCVEGCSA-N 2 0 255.362 -0.835 20 0 CBADRP O[C@@H](CN1CC[C@H]2[NH2+]CC[C@H]21)CC1(O)CC[NH2+]CC1 ZINC001246026477 825626129 /nfs/dbraw/zinc/62/61/29/825626129.db2.gz NPEOTFABBHVAGC-JHJVBQTASA-N 2 0 269.389 -0.712 20 0 CBADRP OC1(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC[NH2+]CC1 ZINC001246027992 825626724 /nfs/dbraw/zinc/62/67/24/825626724.db2.gz YVPMOECWCXFDTH-STQMWFEESA-N 3 0 268.405 -0.873 20 0 CBADRP [NH3+][C@@H]1CN(C[C@H](O)CC2(O)CC[NH2+]CC2)CC(F)(F)C1 ZINC001246029895 825627307 /nfs/dbraw/zinc/62/73/07/825627307.db2.gz MGNOCMVSAQXUAQ-WDEREUQCSA-N 2 0 293.358 -0.480 20 0 CBADRP CCOC[C@H](O)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246031433 825627506 /nfs/dbraw/zinc/62/75/06/825627506.db2.gz QJNIVMMLUSOANV-GFCCVEGCSA-N 2 0 257.378 -0.589 20 0 CBADRP CCOC[C@@H](O)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246031434 825627716 /nfs/dbraw/zinc/62/77/16/825627716.db2.gz QJNIVMMLUSOANV-LBPRGKRZSA-N 2 0 257.378 -0.589 20 0 CBADRP CCCOC[C@H](O)CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246029109 825627659 /nfs/dbraw/zinc/62/76/59/825627659.db2.gz VHUGHTHDKANIJZ-CHWSQXEVSA-N 2 0 257.378 -0.589 20 0 CBADRP CC(C)OC[C@@H](O)CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246031008 825627679 /nfs/dbraw/zinc/62/76/79/825627679.db2.gz ZPTNZDGZOPQUQQ-QWHCGFSZSA-N 2 0 257.378 -0.590 20 0 CBADRP [NH3+][C@@H]1CC[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CC[C@@H]1F ZINC001246028260 825627774 /nfs/dbraw/zinc/62/77/74/825627774.db2.gz JFKXGOBXFMLTRT-RWMBFGLXSA-N 3 0 289.395 -0.387 20 0 CBADRP CCCOC[C@@H](O)CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246029126 825628314 /nfs/dbraw/zinc/62/83/14/825628314.db2.gz VHUGHTHDKANIJZ-STQMWFEESA-N 2 0 257.378 -0.589 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CN1CC[NH2+]C[C@H]1C(=O)OC ZINC001246047411 825628521 /nfs/dbraw/zinc/62/85/21/825628521.db2.gz DRXVSHRLZIZZCL-NEPJUHHUSA-N 2 0 273.377 -0.864 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)CN1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246047307 825628563 /nfs/dbraw/zinc/62/85/63/825628563.db2.gz RRFZMELXWIBUMD-DAAZQVBGSA-N 2 0 271.405 -0.359 20 0 CBADRP OC1(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC001246035197 825629393 /nfs/dbraw/zinc/62/93/93/825629393.db2.gz ZVNXWDPWCYMZBY-UHFFFAOYSA-N 3 0 268.405 -0.872 20 0 CBADRP CCOC(=O)[C@]12C[N@H+](C[C@H](O)COC)C[C@H]1C[NH2+]CC2 ZINC001246048702 825629528 /nfs/dbraw/zinc/62/95/28/825629528.db2.gz ZZGUOEZFDXDYFL-MBNYWOFBSA-N 2 0 286.372 -0.532 20 0 CBADRP [NH3+][C@]12CC[C@H]1CN(C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246044962 825629584 /nfs/dbraw/zinc/62/95/84/825629584.db2.gz IKXVNTMPXLIFKG-OBJOEFQTSA-N 2 0 269.389 -0.725 20 0 CBADRP CCCC[C@@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246052014 825630340 /nfs/dbraw/zinc/63/03/40/825630340.db2.gz AICOTQQCSSOPBX-CQSZACIVSA-N 2 0 272.437 -0.378 20 0 CBADRP C[NH+](C)CCN(C[C@]1(O)CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001246057782 825630363 /nfs/dbraw/zinc/63/03/63/825630363.db2.gz HHMAXZHZHNAAPN-GJZGRUSLSA-N 3 0 284.448 -0.284 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN1C[C@H]([NH3+])[C@H](C(=O)OC)C1 ZINC001246052847 825630741 /nfs/dbraw/zinc/63/07/41/825630741.db2.gz PEJKFMDRVDRWFI-TUAOUCFPSA-N 2 0 273.377 -0.879 20 0 CBADRP C(CN1CCOCC1)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246064704 825631712 /nfs/dbraw/zinc/63/17/12/825631712.db2.gz HYRYCZASDCFFLL-LBPRGKRZSA-N 2 0 254.378 -0.998 20 0 CBADRP CC[C@]1(C(=O)OC)C[C@@H]([NH2+][C@@H](C)CN2CC[NH2+]CC2)CN1 ZINC001246082934 825633370 /nfs/dbraw/zinc/63/33/70/825633370.db2.gz ZKYROZDRKRWEMS-GZBFAFLISA-N 2 0 298.431 -0.447 20 0 CBADRP C[C@H]1CC[C@H](N[C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[NH2+]1 ZINC001246083149 825633821 /nfs/dbraw/zinc/63/38/21/825633821.db2.gz DTGBHNMVNFVONM-CYDGBPFRSA-N 2 0 298.456 -0.020 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)CN2CC[NH2+]CC2)CN1 ZINC001246080809 825633839 /nfs/dbraw/zinc/63/38/39/825633839.db2.gz OPUVQAHBNGXACS-AVGNSLFASA-N 2 0 284.404 -0.837 20 0 CBADRP COC(=O)C1(CN[C@@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC001246095240 825634868 /nfs/dbraw/zinc/63/48/68/825634868.db2.gz DTFYRGKXBXKWPV-LLVKDONJSA-N 2 0 255.362 -0.129 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCCCN2CC[NH2+]CC2)CN1 ZINC001246089647 825634916 /nfs/dbraw/zinc/63/49/16/825634916.db2.gz REAPFJWFGXGZGL-KGLIPLIRSA-N 2 0 298.431 -0.445 20 0 CBADRP COC(=O)C1(CN[C@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC001246095243 825635351 /nfs/dbraw/zinc/63/53/51/825635351.db2.gz DTFYRGKXBXKWPV-NSHDSACASA-N 2 0 255.362 -0.129 20 0 CBADRP CCOC(=O)C[C@]1(N[C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001246133175 825638765 /nfs/dbraw/zinc/63/87/65/825638765.db2.gz UHHZKRVKHPBVEM-GXTWGEPZSA-N 2 0 296.415 -0.645 20 0 CBADRP O=C([C@@H]1C[C@H](N[C@@H]2C[NH2+]CC23CC3)C[NH2+]1)N1CCSC1 ZINC001246135757 825638828 /nfs/dbraw/zinc/63/88/28/825638828.db2.gz UYDBUQWXWKMZNW-SDDRHHMPSA-N 2 0 296.440 -0.409 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@H]1COC2(C[NH2+]C2)C1 ZINC001246137768 825639029 /nfs/dbraw/zinc/63/90/29/825639029.db2.gz XBZGGIROSMMBMZ-RYUDHWBXSA-N 3 0 266.389 -0.952 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CN1 ZINC001246135393 825639157 /nfs/dbraw/zinc/63/91/57/825639157.db2.gz SCEAQMCCBBXDEX-BNDIWNMDSA-N 2 0 283.372 -0.754 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246135719 825639296 /nfs/dbraw/zinc/63/92/96/825639296.db2.gz CGFKBMIGMFKNCZ-BNDIWNMDSA-N 2 0 267.373 -0.275 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1COCCC13C[NH2+]C3)CCN2 ZINC001246138446 825639900 /nfs/dbraw/zinc/63/99/00/825639900.db2.gz MLVMEAUSOYLFFR-RYUDHWBXSA-N 3 0 266.389 -0.952 20 0 CBADRP C(N[C@@H]1CCC[NH2+]C1)c1nnc2n1CCC[NH2+]C2 ZINC001246138379 825640158 /nfs/dbraw/zinc/64/01/58/825640158.db2.gz ZJQPBWNJWHWJSO-SNVBAGLBSA-N 2 0 250.350 -0.387 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC001246142740 825640217 /nfs/dbraw/zinc/64/02/17/825640217.db2.gz HVDWDYIRBSXMOW-RQJABVFESA-N 3 0 264.417 -0.084 20 0 CBADRP CC(C)[C@@H]1C[C@H](N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)CC[NH2+]1 ZINC001246142879 825640361 /nfs/dbraw/zinc/64/03/61/825640361.db2.gz HIXHEATVHDQYCM-GFQSEFKGSA-N 2 0 266.389 -0.069 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(N[C@H]2CC[NH2+]C3(CCC3)C2)N1 ZINC001246140312 825640372 /nfs/dbraw/zinc/64/03/72/825640372.db2.gz AQXNFBPDHSFPAD-MJVIPROJSA-N 2 0 264.373 -0.171 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001246146276 825640917 /nfs/dbraw/zinc/64/09/17/825640917.db2.gz ZNSBLIYJICQLCA-XUXIUFHCSA-N 3 0 280.416 -0.706 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CO[C@@]3(CC[NH2+]C3)C2)CN1 ZINC001246149693 825640950 /nfs/dbraw/zinc/64/09/50/825640950.db2.gz DYAYVGAVVBVKQR-NOHGZBONSA-N 2 0 269.345 -1.000 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)CN1 ZINC001246148967 825641333 /nfs/dbraw/zinc/64/13/33/825641333.db2.gz OWCGUFGUMRMYFT-POQQGIQPSA-N 2 0 297.399 -0.506 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)CN1 ZINC001246145624 825641466 /nfs/dbraw/zinc/64/14/66/825641466.db2.gz PVAAMHFOWQVDMU-FHUSYTEZSA-N 2 0 267.373 -0.132 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CN1 ZINC001246145993 825641546 /nfs/dbraw/zinc/64/15/46/825641546.db2.gz GQVQFEIGXCQAFH-ROHXPCBUSA-N 2 0 253.346 -0.523 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CC[C@H]2[NH2+]CCO[C@@H]21 ZINC001246150047 825642097 /nfs/dbraw/zinc/64/20/97/825642097.db2.gz LXTUAKLASYDTEP-REWJHTLYSA-N 3 0 280.416 -0.563 20 0 CBADRP COCCC[NH+]1CCC(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)CC1 ZINC001246153948 825642415 /nfs/dbraw/zinc/64/24/15/825642415.db2.gz STMLPNMWXDHKTD-UKRRQHHQSA-N 2 0 296.415 -0.345 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)CN1 ZINC001246151086 825642760 /nfs/dbraw/zinc/64/27/60/825642760.db2.gz VZBBMKRTPOIVAJ-NJMOYASZSA-N 2 0 283.372 -0.896 20 0 CBADRP CC[NH+]1CCC(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)CC1 ZINC001246155482 825643304 /nfs/dbraw/zinc/64/33/04/825643304.db2.gz YSSSNQKZHMEZTP-YPMHNXCESA-N 2 0 252.362 -0.362 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1CCCC[C@@]13CNCCO3)CCN2 ZINC001246157511 825643690 /nfs/dbraw/zinc/64/36/90/825643690.db2.gz BSXMMYVHEDUSBM-OFQRWUPVSA-N 2 0 294.443 -0.029 20 0 CBADRP O=C([C@@H]1C[C@@H](NC[C@H]2CCCC[NH2+]2)C[NH2+]1)N1CCSC1 ZINC001246172232 825644623 /nfs/dbraw/zinc/64/46/23/825644623.db2.gz ZWKPKSQNIHPPPT-UPJWGTAASA-N 2 0 298.456 -0.019 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CC2(N(C)C)CC[NH+](C)CC2)CN1 ZINC001246177418 825645342 /nfs/dbraw/zinc/64/53/42/825645342.db2.gz IYJHADTUESIHJS-OLZOCXBDSA-N 2 0 298.431 -0.495 20 0 CBADRP F[C@@]1(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCCNC1 ZINC001246180149 825645522 /nfs/dbraw/zinc/64/55/22/825645522.db2.gz PZQIJEBNDSWYIC-NEPJUHHUSA-N 2 0 256.369 -0.238 20 0 CBADRP O=C(C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)NCc1ccccc1 ZINC001246174818 825645840 /nfs/dbraw/zinc/64/58/40/825645840.db2.gz HXEVBLCFZJDGSP-CQSZACIVSA-N 2 0 288.395 -0.014 20 0 CBADRP CCNC(=O)N1CCC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246178593 825645872 /nfs/dbraw/zinc/64/58/72/825645872.db2.gz NHJWCBNIGDZFCT-CYBMUJFWSA-N 2 0 295.431 -0.136 20 0 CBADRP CN1CC[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246184189 825646595 /nfs/dbraw/zinc/64/65/95/825646595.db2.gz JRQOMQXTODEWMY-GHMZBOCLSA-N 2 0 252.362 -0.709 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C2CC3(CC([NH3+])C3)C2)CN1 ZINC001246186324 825648015 /nfs/dbraw/zinc/64/80/15/825648015.db2.gz ZYKWADDEGRIRAS-HNCSTEHESA-N 2 0 253.346 -0.251 20 0 CBADRP OC1(CC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246188022 825648099 /nfs/dbraw/zinc/64/80/99/825648099.db2.gz QMOZAHWWMRCJRP-LBPRGKRZSA-N 3 0 268.405 -0.825 20 0 CBADRP CN1C[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCC1=O ZINC001246195980 825649548 /nfs/dbraw/zinc/64/95/48/825649548.db2.gz VPCRLDYDMZXUEN-WDEREUQCSA-N 2 0 252.362 -0.709 20 0 CBADRP O=C([C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]C2)C[NH2+]1)N1CCSC1 ZINC001246196565 825649720 /nfs/dbraw/zinc/64/97/20/825649720.db2.gz GWVBJTZJFXVKKQ-XQQFMLRXSA-N 2 0 298.456 -0.161 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H](NC(=[NH2+])NCCCC[NH3+])CN1 ZINC001246212246 825650304 /nfs/dbraw/zinc/65/03/04/825650304.db2.gz UGOZQFXMQFQHGI-ZJUUUORDSA-N 2 0 271.365 -0.867 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CN1 ZINC001246209439 825650620 /nfs/dbraw/zinc/65/06/20/825650620.db2.gz IAQDNDFYGUCHIV-KKOKHZNYSA-N 2 0 255.362 -0.003 20 0 CBADRP COC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246211698 825650692 /nfs/dbraw/zinc/65/06/92/825650692.db2.gz OBWPINYCARJAFQ-MXWKQRLJSA-N 2 0 253.346 -0.378 20 0 CBADRP COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@@H]1CCC[NH2+]C1 ZINC001246210329 825650704 /nfs/dbraw/zinc/65/07/04/825650704.db2.gz HMFYBXXWPHCMGU-ZJUUUORDSA-N 2 0 271.365 -0.867 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C2CN(C3CC[NH2+]CC3)C2)CCN1 ZINC001246214917 825651805 /nfs/dbraw/zinc/65/18/05/825651805.db2.gz LAYMPISOYBJWRP-RISCZKNCSA-N 2 0 296.415 -0.694 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C2CN(C3CC[NH2+]CC3)C2)CCN1 ZINC001246214901 825652373 /nfs/dbraw/zinc/65/23/73/825652373.db2.gz LAYMPISOYBJWRP-FZMZJTMJSA-N 2 0 296.415 -0.694 20 0 CBADRP FC1(F)CNCC[C@@H]1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246225269 825653070 /nfs/dbraw/zinc/65/30/70/825653070.db2.gz BIHVPZHNWYLCJN-MNOVXSKESA-N 2 0 274.359 -0.085 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]CC2)CN1 ZINC001246227015 825653207 /nfs/dbraw/zinc/65/32/07/825653207.db2.gz SOGUIAXGRYUKGV-WOPDTQHZSA-N 2 0 255.362 -0.131 20 0 CBADRP F[C@@H]1C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246223591 825653218 /nfs/dbraw/zinc/65/32/18/825653218.db2.gz RSPQDHSCLKPVBF-IJLUTSLNSA-N 3 0 256.369 -0.382 20 0 CBADRP F[C@@H]1C[NH2+]CC[C@H]1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246223596 825653237 /nfs/dbraw/zinc/65/32/37/825653237.db2.gz RSPQDHSCLKPVBF-QJPTWQEYSA-N 3 0 256.369 -0.382 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C[NH3+])CC2)CN1 ZINC001246222569 825653291 /nfs/dbraw/zinc/65/32/91/825653291.db2.gz IAQDNDFYGUCHIV-KXNHARMFSA-N 2 0 255.362 -0.003 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@H]1COCCC13OCCO3)CCN2 ZINC001246219991 825653442 /nfs/dbraw/zinc/65/34/42/825653442.db2.gz BUMCLWDEICUAEF-NEPJUHHUSA-N 2 0 283.372 -0.798 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CN1 ZINC001246223914 825653462 /nfs/dbraw/zinc/65/34/62/825653462.db2.gz UTLDJQDHLMSJQM-NAKRPEOUSA-N 2 0 259.325 -0.573 20 0 CBADRP CC(C)[NH+]1CCN(CC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246236117 825654432 /nfs/dbraw/zinc/65/44/32/825654432.db2.gz JDQBNGASSRDONV-OAHLLOKOSA-N 3 0 295.475 -0.304 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CN1 ZINC001246229948 825654597 /nfs/dbraw/zinc/65/45/97/825654597.db2.gz KCGUJOCOAVNZEZ-WOPDTQHZSA-N 2 0 255.362 -0.131 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001246246447 825655236 /nfs/dbraw/zinc/65/52/36/825655236.db2.gz HZQPXKWFANLVPG-ZIAGYGMSSA-N 3 0 294.443 -0.171 20 0 CBADRP COc1ccc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)nn1 ZINC001246263882 825657711 /nfs/dbraw/zinc/65/77/11/825657711.db2.gz VDPRWNBDRNJRAN-JTQLQIEISA-N 2 0 263.345 -0.331 20 0 CBADRP O[C@H](C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1ccccn1 ZINC001246264642 825658214 /nfs/dbraw/zinc/65/82/14/825658214.db2.gz CLZIMPSWLFWNJD-DGCLKSJQSA-N 2 0 262.357 -0.201 20 0 CBADRP CC(C)(C)[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246276779 825659184 /nfs/dbraw/zinc/65/91/84/825659184.db2.gz FKKOCWGLPPNFAW-VHSXEESVSA-N 2 0 254.378 -0.430 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CNCCO1 ZINC001246295566 825660141 /nfs/dbraw/zinc/66/01/41/825660141.db2.gz PCXSNJCKPFSNLD-QJPTWQEYSA-N 2 0 254.378 -0.953 20 0 CBADRP C[C@@H]1CC[C@H](NCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246288104 825660230 /nfs/dbraw/zinc/66/02/30/825660230.db2.gz LLEFHPYYMATPJR-KGLIPLIRSA-N 2 0 289.420 -0.275 20 0 CBADRP C[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CNCCO1 ZINC001246295568 825660452 /nfs/dbraw/zinc/66/04/52/825660452.db2.gz PCXSNJCKPFSNLD-SDDRHHMPSA-N 2 0 254.378 -0.953 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246291970 825660561 /nfs/dbraw/zinc/66/05/61/825660561.db2.gz WKJQIQROZCIFTG-UONOGXRCSA-N 3 0 289.420 -0.275 20 0 CBADRP COC(=O)C1(N[C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH+](C)CC1 ZINC001246289465 825660578 /nfs/dbraw/zinc/66/05/78/825660578.db2.gz KPBIBKHCCSERLH-GFCCVEGCSA-N 2 0 296.415 -0.693 20 0 CBADRP Cc1c(CC[NH3+])c(=O)[nH]n1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246286857 825660675 /nfs/dbraw/zinc/66/06/75/825660675.db2.gz DXGVROFHKYARED-SNVBAGLBSA-N 2 0 265.361 -0.335 20 0 CBADRP OC[C@H]1C[NH2+]C[C@@H]1NC1CCC2(CC1)C[NH2+]CCO2 ZINC001246300508 825662292 /nfs/dbraw/zinc/66/22/92/825662292.db2.gz RXSMIKNGWODAQI-ZIHBUVQPSA-N 2 0 269.389 -0.543 20 0 CBADRP [NH3+]CCC(=O)NCCc1cncn1[C@H]1CCC[NH2+]C1 ZINC001246322406 825664362 /nfs/dbraw/zinc/66/43/62/825664362.db2.gz IFNSJAUSISUVBY-NSHDSACASA-N 2 0 265.361 -0.185 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246330266 825664379 /nfs/dbraw/zinc/66/43/79/825664379.db2.gz SNFSFAOQDAXKBO-YFKTTZPYSA-N 2 0 255.362 -0.132 20 0 CBADRP C[C@@H]1COCCN1CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246324221 825664514 /nfs/dbraw/zinc/66/45/14/825664514.db2.gz FZZLMLPICLUVGZ-CHWSQXEVSA-N 2 0 268.405 -0.609 20 0 CBADRP COC(=O)[C@@H](N[C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001246326224 825664643 /nfs/dbraw/zinc/66/46/43/825664643.db2.gz DJJJYBJMESWUIY-NEPJUHHUSA-N 2 0 255.362 -0.131 20 0 CBADRP Nc1ncc(CC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)s1 ZINC001246323206 825664833 /nfs/dbraw/zinc/66/48/33/825664833.db2.gz WATOQPHUDXNEME-VIFPVBQESA-N 2 0 267.402 -0.049 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CCCN2CCS(=O)(=O)CC2)CC[NH2+]1 ZINC001246335725 825665335 /nfs/dbraw/zinc/66/53/35/825665335.db2.gz LOIFWJYGPUOOSN-OLZOCXBDSA-N 2 0 289.445 -0.163 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@@H]1CCO[C@]13CC[NH2+]C3)CCN2 ZINC001246335393 825665607 /nfs/dbraw/zinc/66/56/07/825665607.db2.gz WTYZQMHBOQWNSQ-BZPMIXESSA-N 3 0 266.389 -0.809 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CCCN2CCS(=O)(=O)CC2)CC[NH2+]1 ZINC001246335722 825665665 /nfs/dbraw/zinc/66/56/65/825665665.db2.gz LOIFWJYGPUOOSN-CHWSQXEVSA-N 2 0 289.445 -0.163 20 0 CBADRP CCOC(=O)C1=C(N[C@H]2CCOC3(C[NH2+]C3)C2)C[NH2+]C1 ZINC001246346745 825666833 /nfs/dbraw/zinc/66/68/33/825666833.db2.gz CJMZXFDROCWULC-JTQLQIEISA-N 2 0 281.356 -0.483 20 0 CBADRP CC(=O)NCCCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246340549 825667228 /nfs/dbraw/zinc/66/72/28/825667228.db2.gz IHESQVDYMMRYTD-GFCCVEGCSA-N 2 0 254.378 -0.414 20 0 CBADRP O=C(C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)NC1CCC1 ZINC001246351517 825667772 /nfs/dbraw/zinc/66/77/72/825667772.db2.gz NDFKMTNUQBNMTJ-LLVKDONJSA-N 2 0 252.362 -0.661 20 0 CBADRP C[C@H]1C[C@H](NCCN(CC[NH3+])N(O)N=O)CC[NH2+]1 ZINC001246353150 825668115 /nfs/dbraw/zinc/66/81/15/825668115.db2.gz UQYLVZUCCCJBEN-VHSXEESVSA-N 2 0 260.342 -0.735 20 0 CBADRP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246353834 825668200 /nfs/dbraw/zinc/66/82/00/825668200.db2.gz UTOZYNKBZXMMRY-NEPJUHHUSA-N 2 0 266.389 -0.319 20 0 CBADRP O=C1C=CC(=O)N1CCOCC[NH2+]C1CC[NH2+]CC1 ZINC001246356159 825669227 /nfs/dbraw/zinc/66/92/27/825669227.db2.gz MYRSWOQPBLHELF-UHFFFAOYSA-N 2 0 267.329 -0.730 20 0 CBADRP c1cc(N2CC[C@@H]([NH2+][C@H]3CCNC4(C[NH2+]C4)C3)C2)ncn1 ZINC001246364338 825669310 /nfs/dbraw/zinc/66/93/10/825669310.db2.gz AXIUNUREMHSSIN-QWHCGFSZSA-N 2 0 288.399 -0.261 20 0 CBADRP CCOC(=O)[C@@H]1CCOC[C@@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246368393 825669319 /nfs/dbraw/zinc/66/93/19/825669319.db2.gz BYOHQDPEMTUSMF-UPJWGTAASA-N 2 0 297.399 -0.362 20 0 CBADRP CC(C)(C)OC(=O)[C@@H](N)CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246393278 825670152 /nfs/dbraw/zinc/67/01/52/825670152.db2.gz XWISAMCMLAYVCV-RYUDHWBXSA-N 2 0 298.431 -0.271 20 0 CBADRP c1cnc(N2CC[C@@H]([NH2+][C@H]3CCNC4(C[NH2+]C4)C3)C2)cn1 ZINC001246371839 825670488 /nfs/dbraw/zinc/67/04/88/825670488.db2.gz WTVJSBOJKACXFF-QWHCGFSZSA-N 2 0 288.399 -0.261 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246413146 825671908 /nfs/dbraw/zinc/67/19/08/825671908.db2.gz GPWGGGCQWATWNP-MNOVXSKESA-N 3 0 254.378 -0.299 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCN2CCC([NH3+])CC2)CN1 ZINC001246405474 825671959 /nfs/dbraw/zinc/67/19/59/825671959.db2.gz LAYWFSJEMJYBAV-STQMWFEESA-N 2 0 284.404 -0.707 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246413026 825672046 /nfs/dbraw/zinc/67/20/46/825672046.db2.gz FDCFLHZXJXIPGM-MBYGNEARSA-N 2 0 253.346 -0.085 20 0 CBADRP CC1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCS(=O)(=O)CC1 ZINC001246421390 825672672 /nfs/dbraw/zinc/67/26/72/825672672.db2.gz RIUQXFFXTXGJER-NSHDSACASA-N 2 0 287.429 -0.363 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCNCCC[NH3+])CN1 ZINC001246450792 825673700 /nfs/dbraw/zinc/67/37/00/825673700.db2.gz DDWKCSUMURBMFB-OLZOCXBDSA-N 2 0 286.420 -0.412 20 0 CBADRP O=C([C@@H]1C[C@@H](N[C@H]2CC23C[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246443924 825673933 /nfs/dbraw/zinc/67/39/33/825673933.db2.gz IMTDRDOUBUNGPX-VWYCJHECSA-N 2 0 282.413 -0.799 20 0 CBADRP COC(=O)[C@H]1C[C@@H](NCCC[NH2+]CCCC[NH3+])CN1 ZINC001246457673 825674641 /nfs/dbraw/zinc/67/46/41/825674641.db2.gz PZEQDDVORWNOCT-VXGBXAGGSA-N 2 0 272.393 -0.802 20 0 CBADRP NC(=O)[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246455401 825674930 /nfs/dbraw/zinc/67/49/30/825674930.db2.gz WXMYVRJEDXXCBA-CHWSQXEVSA-N 2 0 274.368 -0.103 20 0 CBADRP [NH3+]CCCNCCC[NH2+][C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246455722 825674983 /nfs/dbraw/zinc/67/49/83/825674983.db2.gz YAHKCOMWCUJLJY-GFCCVEGCSA-N 3 0 256.394 -0.575 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCC[NH2+]CCCC[NH3+])CCN1 ZINC001246457114 825675207 /nfs/dbraw/zinc/67/52/07/825675207.db2.gz NDBDGGQGVBYVND-OLZOCXBDSA-N 3 0 286.420 -0.412 20 0 CBADRP COC(=O)[C@H](N[C@@H]1CC[C@H](C)[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC001246497929 825676990 /nfs/dbraw/zinc/67/69/90/825676990.db2.gz OZVQMXRCBWGMAP-IRCOFANPSA-N 2 0 255.362 -0.132 20 0 CBADRP c1c(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)nn2c1OCCC2 ZINC001246512168 825678124 /nfs/dbraw/zinc/67/81/24/825678124.db2.gz AXNNIKMTMADGJI-LLVKDONJSA-N 2 0 277.372 -0.151 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C2CC2)C2C[NH2+]C2)CN1 ZINC001246517809 825678627 /nfs/dbraw/zinc/67/86/27/825678627.db2.gz MUXJHEKVEBWQOP-RWMBFGLXSA-N 2 0 267.373 -0.132 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCNC(=O)C1 ZINC001246514085 825678676 /nfs/dbraw/zinc/67/86/76/825678676.db2.gz YUCSSRPVERCRKK-UWVGGRQHSA-N 2 0 256.350 -0.902 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C2CC2)C2C[NH2+]C2)CN1 ZINC001246517806 825679185 /nfs/dbraw/zinc/67/91/85/825679185.db2.gz MUXJHEKVEBWQOP-AVGNSLFASA-N 2 0 267.373 -0.132 20 0 CBADRP O=C1CC2(CN1)CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246523554 825679600 /nfs/dbraw/zinc/67/96/00/825679600.db2.gz NUICUPYEOGCFIG-GFCCVEGCSA-N 2 0 278.400 -0.318 20 0 CBADRP COC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246524557 825679974 /nfs/dbraw/zinc/67/99/74/825679974.db2.gz GVIBWNACRMBHKQ-NEPJUHHUSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H]1CC[C@@H](n2cnc(C[C@H]([NH3+])C(N)=O)c2)C[NH2+]1 ZINC001246526625 825680817 /nfs/dbraw/zinc/68/08/17/825680817.db2.gz VXBFYLNKVPITNY-IEBDPFPHSA-N 2 0 251.334 -0.449 20 0 CBADRP CCOC(=O)c1cn([C@H]2CCNC3(C[NH2+]C3)C2)nc1C[NH3+] ZINC001246534312 825681239 /nfs/dbraw/zinc/68/12/39/825681239.db2.gz XHGBLZLGFGBOJO-JTQLQIEISA-N 2 0 293.371 -0.215 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH+]2CCC(C[NH3+])CC2)CN1 ZINC001246537310 825682804 /nfs/dbraw/zinc/68/28/04/825682804.db2.gz INWHIYRGIFZRNL-RYUDHWBXSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H](CC(=O)N1CCOCC1)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246545439 825682946 /nfs/dbraw/zinc/68/29/46/825682946.db2.gz VZFBXJIEOSGEKQ-ZFWWWQNUSA-N 2 0 299.415 -0.201 20 0 CBADRP CCOC(=O)CN1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246540853 825683017 /nfs/dbraw/zinc/68/30/17/825683017.db2.gz UBBYTNGLAIEKOY-CYBMUJFWSA-N 2 0 296.415 -0.739 20 0 CBADRP c1cnc(N2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)cn1 ZINC001246538919 825683041 /nfs/dbraw/zinc/68/30/41/825683041.db2.gz OSZQRJZZRHOMHC-CYBMUJFWSA-N 2 0 288.399 -0.307 20 0 CBADRP CC[C@]1(C(=O)OC)C[C@@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)CN1 ZINC001246556445 825684184 /nfs/dbraw/zinc/68/41/84/825684184.db2.gz ZYWUUDSYMPUJAO-VHDGCEQUSA-N 2 0 299.415 -0.154 20 0 CBADRP C[C@@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1C[NH3+] ZINC001246551959 825684222 /nfs/dbraw/zinc/68/42/22/825684222.db2.gz MVBAHGDNOZVYEP-JHJVBQTASA-N 3 0 252.406 -0.003 20 0 CBADRP COC(=O)[C@@]1(F)CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246548568 825685031 /nfs/dbraw/zinc/68/50/31/825685031.db2.gz IZOCEUWXAORKHV-ZWNOBZJWSA-N 2 0 271.336 -0.333 20 0 CBADRP OC[C@@H]1C[C@@H](F)C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246553474 825685059 /nfs/dbraw/zinc/68/50/59/825685059.db2.gz YFTYRRPJQOGTNS-UTUOFQBUSA-N 2 0 257.353 -0.267 20 0 CBADRP COC(=O)C1C[C@@H]2CC(N3CC[C@@H]([NH3+])[C@H](O)C3)C[C@H](C1)[NH2+]2 ZINC001246559184 825686199 /nfs/dbraw/zinc/68/61/99/825686199.db2.gz NWBRLIZMAWLESD-MRJDOLBNSA-N 2 0 297.399 -0.548 20 0 CBADRP C[C@@H]1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@@H]1[NH3+] ZINC001246563938 825686627 /nfs/dbraw/zinc/68/66/27/825686627.db2.gz CHDZFROUZPEOSO-VOAKCMCISA-N 2 0 298.456 -0.081 20 0 CBADRP O[C@]1(CF)CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1F ZINC001246572025 825687626 /nfs/dbraw/zinc/68/76/26/825687626.db2.gz CTUUHUAKAFYTIU-MDZLAQPJSA-N 2 0 275.343 -0.175 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCCC3(C2)OCCO3)C[C@@H]1O ZINC001246583216 825690547 /nfs/dbraw/zinc/69/05/47/825690547.db2.gz IVBRGOJGVBYKQL-TUAOUCFPSA-N 2 0 256.346 -0.077 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246585196 825690620 /nfs/dbraw/zinc/69/06/20/825690620.db2.gz NETQMOQDPJUOGV-NOOOWODRSA-N 2 0 256.346 -0.030 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+](C2CCC([NH+]3CCOCC3)CC2)C[C@@H]1O ZINC001246581122 825690633 /nfs/dbraw/zinc/69/06/33/825690633.db2.gz PNXCGUMPTFMXTJ-PPWQZUPISA-N 3 0 283.416 -0.119 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCCC3(C2)OCCO3)C[C@@H]1O ZINC001246583212 825690991 /nfs/dbraw/zinc/69/09/91/825690991.db2.gz IVBRGOJGVBYKQL-SRVKXCTJSA-N 2 0 256.346 -0.077 20 0 CBADRP C[NH+](C)C[C@@H]1CN([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246584512 825691423 /nfs/dbraw/zinc/69/14/23/825691423.db2.gz AUYFVXQMEHXXAY-QWHCGFSZSA-N 2 0 268.405 -0.657 20 0 CBADRP OCCCN1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246602268 825693627 /nfs/dbraw/zinc/69/36/27/825693627.db2.gz KIDTUWAADXDWBE-ZDUSSCGKSA-N 2 0 268.405 -0.920 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(C[NH2+]C3)CC2)CN1 ZINC001246602608 825693492 /nfs/dbraw/zinc/69/34/92/825693492.db2.gz MVKIAWZXEHFXEO-NEPJUHHUSA-N 2 0 267.373 -0.035 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246599691 825694354 /nfs/dbraw/zinc/69/43/54/825694354.db2.gz DGTUOWMAKOPTCP-WOPDTQHZSA-N 2 0 255.362 -0.036 20 0 CBADRP COC(=O)[C@@H]1C[C@H](N2CCN[C@H]3CC[NH2+]CC[C@@H]32)CCN1 ZINC001246618579 825695206 /nfs/dbraw/zinc/69/52/06/825695206.db2.gz MSYJWBRQSMRGGT-RFGFWPKPSA-N 2 0 296.415 -0.694 20 0 CBADRP O[C@@H]1COC2(C1)CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246612162 825695292 /nfs/dbraw/zinc/69/52/92/825695292.db2.gz FPMRQLQQECQTFO-STQMWFEESA-N 2 0 281.400 -0.304 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCN[C@H]3CC[NH2+]CC[C@@H]31)CS2 ZINC001246618107 825695365 /nfs/dbraw/zinc/69/53/65/825695365.db2.gz KDAZPJZDCGBAIO-AGIUHOORSA-N 3 0 282.457 -0.140 20 0 CBADRP C1C[C@]2(CCCN([C@H]3CCNC4(C[NH2+]C4)C3)C2)[NH2+]1 ZINC001246614316 825695719 /nfs/dbraw/zinc/69/57/19/825695719.db2.gz RNKSAFXCYZBCQX-STQMWFEESA-N 2 0 250.390 -0.092 20 0 CBADRP O=C1C[C@H]([N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CCN1 ZINC001246619452 825696525 /nfs/dbraw/zinc/69/65/25/825696525.db2.gz RJRWCAVMQFOUNJ-WOPDTQHZSA-N 2 0 252.362 -0.709 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCN[C@H]3CC[NH2+]CC[C@@H]31)CCN2 ZINC001246619748 825696650 /nfs/dbraw/zinc/69/66/50/825696650.db2.gz UITRGGOOORKQAU-IHRRRGAJSA-N 3 0 279.432 -0.894 20 0 CBADRP C1C[C@@]2(C[NH2+]1)CNCCN2[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246625193 825696822 /nfs/dbraw/zinc/69/68/22/825696822.db2.gz PQHKVKMLZRFEGH-ZOBORPQBSA-N 2 0 250.390 -0.378 20 0 CBADRP C[C@@H]1C[C@@H](N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CC[NH2+]1 ZINC001246623123 825696957 /nfs/dbraw/zinc/69/69/57/825696957.db2.gz BEEFLXBDUYESSU-TYNCELHUSA-N 2 0 278.400 -0.462 20 0 CBADRP O=C([C@@H]1C[C@H](N2CC[C@@H]3[NH2+]CC[C@H]32)C[NH2+]1)N1CCSC1 ZINC001246630087 825697704 /nfs/dbraw/zinc/69/77/04/825697704.db2.gz HFFSWKBJLNVQQK-ZDEQEGDKSA-N 2 0 296.440 -0.314 20 0 CBADRP O=C1NCC[C@@]12CN([C@@H]1CCC[NH2+]C1)CC21C[NH2+]C1 ZINC001246630563 825697912 /nfs/dbraw/zinc/69/79/12/825697912.db2.gz SVDAWKTYWMLCRY-BXUZGUMPSA-N 2 0 264.373 -0.850 20 0 CBADRP C[C@@H]1C[C@H](N2CCO[C@]3(C2)C[NH2+]CCOC3)CC[NH2+]1 ZINC001246626513 825698339 /nfs/dbraw/zinc/69/83/39/825698339.db2.gz GPXQDSGRKXTLSX-MCIONIFRSA-N 2 0 269.389 -0.182 20 0 CBADRP COC(=O)[C@@]12COC[C@@H]1C[N@@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246642674 825700750 /nfs/dbraw/zinc/70/07/50/825700750.db2.gz MVDUKSFAHWEYMA-LOWVWBTDSA-N 2 0 254.330 -0.140 20 0 CBADRP CCN1CC[C@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1=O ZINC001246642033 825701037 /nfs/dbraw/zinc/70/10/37/825701037.db2.gz LCVOYXUAKVNUCP-GXTWGEPZSA-N 2 0 266.389 -0.365 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CCCCC13C[NH2+]C3)CCN2 ZINC001246642087 825701081 /nfs/dbraw/zinc/70/10/81/825701081.db2.gz KSPTWXJIBWJHSX-LBPRGKRZSA-N 2 0 250.390 -0.092 20 0 CBADRP O=C1CCC[C@@]2(C[NH2+]CCN([C@H]3CCC[NH2+]C3)C2)N1 ZINC001246650477 825702319 /nfs/dbraw/zinc/70/23/19/825702319.db2.gz IPJLSLYVZQSMNX-JSGCOSHPSA-N 2 0 266.389 -0.318 20 0 CBADRP C1C[NH2+]C[C@@H](N2CCCO[C@]3(C[NH2+]CCOC3)C2)C1 ZINC001246648466 825702978 /nfs/dbraw/zinc/70/29/78/825702978.db2.gz PUZWTZQCWIWERL-UONOGXRCSA-N 2 0 269.389 -0.181 20 0 CBADRP O=C1CC[C@@H]2C[C@@H]([N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)CCN12 ZINC001246645322 825703046 /nfs/dbraw/zinc/70/30/46/825703046.db2.gz UHNWDHSDBWJNIH-GUTXKFCHSA-N 2 0 278.400 -0.223 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CC[C@H]3[NH2+]CC[C@@H]3C1)CCN2 ZINC001246661499 825703429 /nfs/dbraw/zinc/70/34/29/825703429.db2.gz RHEOVAXQFVXSQG-JHJVBQTASA-N 2 0 250.390 -0.236 20 0 CBADRP OC[C@@H]1C[C@@H]2OCC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)[C@H]2C1 ZINC001246662031 825703935 /nfs/dbraw/zinc/70/39/35/825703935.db2.gz VGTCZIKUTNKBRM-XUXIUFHCSA-N 2 0 281.400 -0.448 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCN2 ZINC001246663955 825705329 /nfs/dbraw/zinc/70/53/29/825705329.db2.gz CZVGFPIHUDYZDI-JHJVBQTASA-N 2 0 250.390 -0.378 20 0 CBADRP C1[NH2+]CC1[C@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246678945 825706366 /nfs/dbraw/zinc/70/63/66/825706366.db2.gz OSSCIACOTOONED-AAEUAGOBSA-N 3 0 250.390 -0.378 20 0 CBADRP COCCN1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246683068 825706446 /nfs/dbraw/zinc/70/64/46/825706446.db2.gz YJSGZAWVFCNMRS-CYBMUJFWSA-N 2 0 268.405 -0.656 20 0 CBADRP CN([C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001246678330 825706668 /nfs/dbraw/zinc/70/66/68/825706668.db2.gz LUEDCGWLYZSSRE-UPJWGTAASA-N 2 0 298.456 -0.066 20 0 CBADRP CN1C[C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1=O ZINC001246760379 825709103 /nfs/dbraw/zinc/70/91/03/825709103.db2.gz QEGMDJOZZGUPBG-UTUOFQBUSA-N 2 0 264.373 -0.900 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CC[N@@H+]3CCC[C@H]3C1)CCN2 ZINC001246776647 825710651 /nfs/dbraw/zinc/71/06/51/825710651.db2.gz LMHTUGAGZHJXIF-OLZOCXBDSA-N 2 0 250.390 -0.140 20 0 CBADRP C([C@@H]1CCCO1)N1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246778669 825710818 /nfs/dbraw/zinc/71/08/18/825710818.db2.gz WPTVDTJGYDYYJJ-GJZGRUSLSA-N 2 0 294.443 -0.123 20 0 CBADRP NC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246794049 825711520 /nfs/dbraw/zinc/71/15/20/825711520.db2.gz WFRAMQULKNTNRM-QWRGUYRKSA-N 2 0 252.362 -0.580 20 0 CBADRP CC[C@H]1C[NH2+]CCN1[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246796382 825711760 /nfs/dbraw/zinc/71/17/60/825711760.db2.gz AHESQZNLCORYRL-AVGNSLFASA-N 2 0 298.456 -0.066 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246795975 825712140 /nfs/dbraw/zinc/71/21/40/825712140.db2.gz DJKSKMFRZWUPMT-USZNOCQGSA-N 2 0 255.362 -0.051 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@H](N3CCOCC3)C1)CCN2 ZINC001246795830 825712204 /nfs/dbraw/zinc/71/22/04/825712204.db2.gz KKEJWKWFVZASBK-KBPBESRZSA-N 2 0 280.416 -0.513 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246801016 825713612 /nfs/dbraw/zinc/71/36/12/825713612.db2.gz DJKSKMFRZWUPMT-DDHJBXDOSA-N 2 0 255.362 -0.051 20 0 CBADRP c1cnnc(N2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246811673 825714891 /nfs/dbraw/zinc/71/48/91/825714891.db2.gz GNIZHVHKKUAPEG-CYBMUJFWSA-N 2 0 288.399 -0.307 20 0 CBADRP COC(=O)C[C@@H]1C[NH2+]CCN1[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246814518 825714952 /nfs/dbraw/zinc/71/49/52/825714952.db2.gz PUQAHYSPBNPIJB-SDDRHHMPSA-N 2 0 255.362 -0.036 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001246820049 825715990 /nfs/dbraw/zinc/71/59/90/825715990.db2.gz JDEIDTPBLQNNBB-OAHLLOKOSA-N 3 0 283.464 -0.445 20 0 CBADRP C1[C@@H]2C[C@H]([NH+]3CCNCC[NH2+]CCNCC3)C[C@H]12 ZINC001246820611 825716099 /nfs/dbraw/zinc/71/60/99/825716099.db2.gz KEMNNIVLBGEQDH-WDNDVIMCSA-N 2 0 252.406 -0.131 20 0 CBADRP C[C@H]1C[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)CC[NH2+]1 ZINC001246819061 825716677 /nfs/dbraw/zinc/71/66/77/825716677.db2.gz FVHABXOOGAAGOF-UONOGXRCSA-N 3 0 269.437 -0.789 20 0 CBADRP C[NH+](C)CCCN1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246825845 825717126 /nfs/dbraw/zinc/71/71/26/825717126.db2.gz VXJDHJGZIJARSN-HNNXBMFYSA-N 3 0 295.475 -0.350 20 0 CBADRP [NH3+]CCN(CC[NH3+])C1CCC2(CC1)C[NH2+]CCO2 ZINC001246828312 825717740 /nfs/dbraw/zinc/71/77/40/825717740.db2.gz BCVFTIADFSDCJM-UHFFFAOYSA-N 3 0 256.394 -0.493 20 0 CBADRP C[C@@H]1CC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)C[NH2+]1 ZINC001246824947 825717962 /nfs/dbraw/zinc/71/79/62/825717962.db2.gz ZXOYSULOVBPVLR-ZIAGYGMSSA-N 3 0 269.437 -0.789 20 0 CBADRP [NH3+]CCN(CC[NH3+])[C@H]1CCN[C@H](C(F)(F)F)C1 ZINC001246833035 825719358 /nfs/dbraw/zinc/71/93/58/825719358.db2.gz QZEQBEHBMFNMHL-IUCAKERBSA-N 2 0 254.300 -0.111 20 0 CBADRP C1[NH2+]CC12C[C@H](N(C1COC1)C1CC[NH2+]CC1)CCN2 ZINC001246842113 825720932 /nfs/dbraw/zinc/72/09/32/825720932.db2.gz AWECKNYEHUHYSD-CYBMUJFWSA-N 2 0 280.416 -0.467 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CN1 ZINC001246849108 825721517 /nfs/dbraw/zinc/72/15/17/825721517.db2.gz YAXVGWUJLZPNTB-RNJOBUHISA-N 2 0 267.373 -0.179 20 0 CBADRP CC[C@H]1C[C@H](N2CC[NH2+]C[C@H]2C(=O)OC)CC[NH2+]1 ZINC001246856617 825722290 /nfs/dbraw/zinc/72/22/90/825722290.db2.gz DSHZUVAGDNRNCY-TUAOUCFPSA-N 2 0 255.362 -0.036 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1[C@H]1CCC[N@H+](C)CC1 ZINC001246858039 825722811 /nfs/dbraw/zinc/72/28/11/825722811.db2.gz ZJSVULDUBPAGQY-RYUDHWBXSA-N 2 0 255.362 -0.083 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CCN1 ZINC001246862249 825723590 /nfs/dbraw/zinc/72/35/90/825723590.db2.gz QNFPYPGIGSAWGL-NOHGZBONSA-N 2 0 253.346 -0.297 20 0 CBADRP COC(=O)[C@H]([NH3+])C1CCN([C@@H]2CCC[NH2+]C2)CC1 ZINC001246864877 825724592 /nfs/dbraw/zinc/72/45/92/825724592.db2.gz PTNNKJVWLHNTAR-VXGBXAGGSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CC1CN([C@@H]2CCC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246868274 825726314 /nfs/dbraw/zinc/72/63/14/825726314.db2.gz BAEQGKJGARHHKZ-LSDHHAIUSA-N 3 0 293.459 -0.565 20 0 CBADRP CCOC(=O)C[N@H+](CC)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246888497 825726790 /nfs/dbraw/zinc/72/67/90/825726790.db2.gz BIKOWFPTENMPAZ-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@H+]1C[C@H]3CCC[C@@H](C1)N3)CCN2 ZINC001246883041 825727014 /nfs/dbraw/zinc/72/70/14/825727014.db2.gz SXPKFFIAMQMNKM-XQQFMLRXSA-N 2 0 250.390 -0.093 20 0 CBADRP Cn1ncc2c1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246872112 825728052 /nfs/dbraw/zinc/72/80/52/825728052.db2.gz PIMRBUNQZVGYFX-LBPRGKRZSA-N 2 0 261.373 -0.128 20 0 CBADRP CC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246894072 825728520 /nfs/dbraw/zinc/72/85/20/825728520.db2.gz NCQUIEFKPWOZGW-NWDGAFQWSA-N 2 0 252.362 -0.709 20 0 CBADRP COC(=O)CNC(=O)[C@@H]1CCCN1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246910847 825730053 /nfs/dbraw/zinc/73/00/53/825730053.db2.gz MJTDSYXVWTYTCL-SRVKXCTJSA-N 2 0 283.372 -0.120 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246908813 825730399 /nfs/dbraw/zinc/73/03/99/825730399.db2.gz VGIZMLZISUYJTE-OSUNSFLBSA-N 2 0 253.346 -0.441 20 0 CBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246922460 825731545 /nfs/dbraw/zinc/73/15/45/825731545.db2.gz VXMUQJXKXVNGJZ-WDNDVIMCSA-N 3 0 297.447 -0.615 20 0 CBADRP [NH3+]C[C@H]1CCCN1[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246918134 825731699 /nfs/dbraw/zinc/73/16/99/825731699.db2.gz WMUWPAYZOJMIBA-WOPDTQHZSA-N 2 0 284.429 -0.327 20 0 CBADRP COC(=O)[C@@H]1CN([C@H]2CC3CC[NH+](CC3)C2)C[C@@H]1[NH3+] ZINC001246929911 825732612 /nfs/dbraw/zinc/73/26/12/825732612.db2.gz IOBAUZRVNOIQKE-XQQFMLRXSA-N 2 0 267.373 -0.097 20 0 CBADRP C[NH2+]CC[C@H](C)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246925714 825733015 /nfs/dbraw/zinc/73/30/15/825733015.db2.gz OSRNHSZYFKKCQU-LBPRGKRZSA-N 3 0 273.425 -0.900 20 0 CBADRP COC(=O)[C@H]1CN(C2CCC3(CC2)C[NH2+]CCO3)C[C@H]1[NH3+] ZINC001246928761 825733131 /nfs/dbraw/zinc/73/31/31/825733131.db2.gz AIPBSEYLZTYGMA-SBEAFCBVSA-N 2 0 297.399 -0.280 20 0 CBADRP COC(=O)[C@@H]1CN([C@H]2CCC[N@H+](C)CC2)C[C@@H]1[NH3+] ZINC001246928885 825733158 /nfs/dbraw/zinc/73/31/58/825733158.db2.gz BFSSARMLGSAPFT-TUAOUCFPSA-N 2 0 255.362 -0.097 20 0 CBADRP CC[NH+]1CCC(N2C[C@H]([NH3+])[C@H](C(=O)OC)C2)CC1 ZINC001246929956 825733167 /nfs/dbraw/zinc/73/31/67/825733167.db2.gz IXGQMDGOXRIPJE-NEPJUHHUSA-N 2 0 255.362 -0.097 20 0 CBADRP CN(C)C(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246958940 825735560 /nfs/dbraw/zinc/73/55/60/825735560.db2.gz CUXXJQQRAMFVFU-CHWSQXEVSA-N 2 0 295.431 -0.184 20 0 CBADRP COCCC[NH+]1CCC(N2C[C@@H]([NH3+])[C@@H](C(=O)OC)C2)CC1 ZINC001246941509 825735876 /nfs/dbraw/zinc/73/58/76/825735876.db2.gz VWSFZBQUHFEJBV-UONOGXRCSA-N 2 0 299.415 -0.081 20 0 CBADRP C[NH+](C)CC(=O)N[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001246955743 825736036 /nfs/dbraw/zinc/73/60/36/825736036.db2.gz URBRTQQYVAEYAY-GFCCVEGCSA-N 2 0 268.405 -0.119 20 0 CBADRP CNC(=O)NC1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246957138 825736367 /nfs/dbraw/zinc/73/63/67/825736367.db2.gz JBJATIUCRCTXNM-GFCCVEGCSA-N 2 0 281.404 -0.526 20 0 CBADRP OC[C@H]1CCn2nccc2C[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246939996 825736441 /nfs/dbraw/zinc/73/64/41/825736441.db2.gz HXLQUNQRDXKHMB-TZMCWYRMSA-N 2 0 291.399 -0.456 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]12 ZINC001246971981 825736902 /nfs/dbraw/zinc/73/69/02/825736902.db2.gz CEGLQLGNHSBAPL-FDYHWXHSSA-N 3 0 250.390 -0.251 20 0 CBADRP O=C1CCC2(CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)N1 ZINC001246964040 825737154 /nfs/dbraw/zinc/73/71/54/825737154.db2.gz CDRHRDUAOIUHKK-GFCCVEGCSA-N 2 0 278.400 -0.175 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]12 ZINC001246971989 825737310 /nfs/dbraw/zinc/73/73/10/825737310.db2.gz CEGLQLGNHSBAPL-FVCCEPFGSA-N 3 0 250.390 -0.251 20 0 CBADRP CNC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246966720 825737824 /nfs/dbraw/zinc/73/78/24/825737824.db2.gz ZSCGXGZTDXHFRJ-RYUDHWBXSA-N 2 0 281.404 -0.526 20 0 CBADRP COC(=O)[C@H]1C[C@@H](N(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)CN1 ZINC001246985854 825738599 /nfs/dbraw/zinc/73/85/99/825738599.db2.gz LEODHSUPEVRXJT-BFHYXJOUSA-N 2 0 298.431 -0.495 20 0 CBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C1CC[NH2+]CC1)CC2 ZINC001246987737 825739178 /nfs/dbraw/zinc/73/91/78/825739178.db2.gz MUKXIISZRSCEKN-TZMCWYRMSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H]1CN(C2C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C[C@H](C)O1 ZINC001246986007 825739417 /nfs/dbraw/zinc/73/94/17/825739417.db2.gz DNTHAUJZNMWDSN-MJBXVCDLSA-N 2 0 294.443 -0.126 20 0 CBADRP CC[NH+]1C[C@@H]2C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2C1 ZINC001246981107 825739970 /nfs/dbraw/zinc/73/99/70/825739970.db2.gz UTNHMDPVHHXQBL-MCIONIFRSA-N 3 0 264.417 -0.036 20 0 CBADRP C[NH+](C)CCN([C@@H]1CCC[NH2+]C1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246992205 825740584 /nfs/dbraw/zinc/74/05/84/825740584.db2.gz YOBBFLCZDLFPDN-HUUCEWRRSA-N 3 0 295.475 -0.304 20 0 CBADRP CN1CCC2(C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1=O ZINC001246999524 825741267 /nfs/dbraw/zinc/74/12/67/825741267.db2.gz JUNOWZNAYRRGHJ-LLVKDONJSA-N 2 0 264.373 -0.756 20 0 CBADRP C[NH+](C)CCNC(=S)N1CC[NH+](CC(C)(C)O)CC1 ZINC001249837493 825749630 /nfs/dbraw/zinc/74/96/30/825749630.db2.gz BBAMWOHDMRYUJP-UHFFFAOYSA-N 2 0 288.461 -0.189 20 0 CBADRP CCOC[C@@H](O)C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001252029811 825813328 /nfs/dbraw/zinc/81/33/28/825813328.db2.gz WZOGAZFZUCINPR-ZDUSSCGKSA-N 2 0 287.404 -0.520 20 0 CBADRP COC(=O)[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001252419080 825847875 /nfs/dbraw/zinc/84/78/75/825847875.db2.gz FAYCKVNNOSDCQK-LLVKDONJSA-N 2 0 256.346 -0.062 20 0 CBADRP C[NH+]1CCN(CC[NH2+]C[C@H](O)C(=O)OC(C)(C)C)CC1 ZINC001253699088 825925566 /nfs/dbraw/zinc/92/55/66/825925566.db2.gz XKFGLQQWPNADHZ-LBPRGKRZSA-N 2 0 287.404 -0.474 20 0 CBADRP OCC[NH+]1CCC(C[NH2+]CC2(O)CCOCC2)CC1 ZINC001252974461 825898014 /nfs/dbraw/zinc/89/80/14/825898014.db2.gz YAXPJPVTYNZSBB-UHFFFAOYSA-N 2 0 272.389 -0.178 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN1CC[NH+](CCOC)CC1 ZINC001253181134 825902949 /nfs/dbraw/zinc/90/29/49/825902949.db2.gz ALNRMNKZXODFLS-AWEZNQCLSA-N 2 0 273.421 -0.047 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CNC1CC[NH+](CCO)CC1 ZINC001253208464 825905272 /nfs/dbraw/zinc/90/52/72/825905272.db2.gz REGQNYBSEOVFFE-AWEZNQCLSA-N 2 0 273.421 -0.265 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[NH2+]CCCCN1C(=O)C=CC1=O ZINC001253214400 825907507 /nfs/dbraw/zinc/90/75/07/825907507.db2.gz PZQAPLUEEFERKC-ZDUSSCGKSA-N 2 0 297.399 -0.016 20 0 CBADRP CN1C(=O)CC[C@@H]1C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253406904 825913297 /nfs/dbraw/zinc/91/32/97/825913297.db2.gz XYBDPCNOJFALQF-MNOVXSKESA-N 2 0 257.378 -0.054 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)CNCCC[NH+](CCO)CCO ZINC001253403256 825913840 /nfs/dbraw/zinc/91/38/40/825913840.db2.gz BHGMDHPLBPWKEZ-ZDUSSCGKSA-N 2 0 291.436 -0.998 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)CNCC[N@@H+]1CC[C@@H](O)C1 ZINC001253406144 825914269 /nfs/dbraw/zinc/91/42/69/825914269.db2.gz ALHSFIUHJYTGPU-NEPJUHHUSA-N 2 0 259.394 -0.608 20 0 CBADRP COC(=O)[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253411253 825914618 /nfs/dbraw/zinc/91/46/18/825914618.db2.gz GLAZJZWCNRLLKP-TUAOUCFPSA-N 2 0 288.388 -0.097 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H](CO)[C@H]1CCOC1 ZINC001253409605 825914823 /nfs/dbraw/zinc/91/48/23/825914823.db2.gz XAJHMXVZFZBFBA-SDDRHHMPSA-N 2 0 260.378 -0.278 20 0 CBADRP CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253408800 825915303 /nfs/dbraw/zinc/91/53/03/825915303.db2.gz YXLJSVSMKCRNGR-SRVKXCTJSA-N 2 0 257.378 -0.008 20 0 CBADRP Nc1cc[nH+]cc1-c1cn(C[C@H]2C[NH2+]CCO2)nn1 ZINC001254058508 825938214 /nfs/dbraw/zinc/93/82/14/825938214.db2.gz DPWXRTFIGLPNHI-SECBINFHSA-N 2 0 260.301 -0.259 20 0 CBADRP CC[NH+](CC)CCN(CC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC001254319125 825950785 /nfs/dbraw/zinc/95/07/85/825950785.db2.gz SMLBLTAHXGOIDN-GFCCVEGCSA-N 2 0 277.434 -0.224 20 0 CBADRP CCOC(=O)CN1CCC([NH2+]CCOCC[NH3+])CC1 ZINC001254392933 825959250 /nfs/dbraw/zinc/95/92/50/825959250.db2.gz HRILCYCSVZLNAB-UHFFFAOYSA-N 2 0 273.377 -0.421 20 0 CBADRP CCOC(=O)CN1CCC(NC(=[NH2+])NCCCC[NH3+])CC1 ZINC001254394951 825961367 /nfs/dbraw/zinc/96/13/67/825961367.db2.gz XYHOYCQPSNCOIG-UHFFFAOYSA-N 2 0 299.419 -0.133 20 0 CBADRP NC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CC3CC[NH+](CC3)C2)cn1 ZINC001254852103 825971384 /nfs/dbraw/zinc/97/13/84/825971384.db2.gz PCSZEBHVISGWOM-OLZOCXBDSA-N 2 0 277.372 -0.105 20 0 CBADRP COC(=O)[C@H](N)Cc1cn([C@H]2CC[N@H+](C)C2)cn1 ZINC001255425311 825983240 /nfs/dbraw/zinc/98/32/40/825983240.db2.gz CXRKYCHLWAZZHC-WDEREUQCSA-N 2 0 252.318 -0.198 20 0 CBADRP COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@@H]1CCC[N@H+](C)C1 ZINC001255471386 825983894 /nfs/dbraw/zinc/98/38/94/825983894.db2.gz ZARLRSOGYUYTSK-MNOVXSKESA-N 2 0 285.392 -0.525 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])C1CC[NH+](C2CC2)CC1 ZINC001256065703 826000030 /nfs/dbraw/zinc/00/00/30/826000030.db2.gz AUPPLBUIRLGTNI-UHFFFAOYSA-N 2 0 261.391 -0.167 20 0 CBADRP [NH3+]C[C@@H](O)C[NH2+]C1CCN(c2ncccn2)CC1 ZINC001256045611 826000448 /nfs/dbraw/zinc/00/04/48/826000448.db2.gz RIYJOKBMDQHHNM-LLVKDONJSA-N 2 0 251.334 -0.645 20 0 CBADRP C[C@H](CC(=O)N1CCOCC1)[NH+]1CCN(CCC[NH3+])CC1 ZINC001256326785 826010830 /nfs/dbraw/zinc/01/08/30/826010830.db2.gz SZABEGXCWCWYBN-CQSZACIVSA-N 2 0 298.431 -0.410 20 0 CBADRP NC(=O)[C@H](CO)[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256683320 826029546 /nfs/dbraw/zinc/02/95/46/826029546.db2.gz XDBRXGIRGMZYOA-MCIGGMRASA-N 2 0 271.361 -0.934 20 0 CBADRP COC(=O)[C@@H](CN)C[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256682516 826030055 /nfs/dbraw/zinc/03/00/55/826030055.db2.gz KAZAZKIPVOKHED-HSBZDZAISA-N 2 0 299.415 -0.033 20 0 CBADRP OC[C@@H]1C[N@@H+](C2CCC([NH+]3CCOCC3)CC2)C[C@H]1O ZINC001256690061 826030307 /nfs/dbraw/zinc/03/03/07/826030307.db2.gz FNFORCSPABLXTA-VXGQWTEUSA-N 2 0 284.400 -0.085 20 0 CBADRP CS(=O)(=O)N1CCC([NH2+]CCSCC[NH3+])CC1 ZINC001257229859 826041488 /nfs/dbraw/zinc/04/14/88/826041488.db2.gz PMLCMKIAQKJVRU-UHFFFAOYSA-N 2 0 281.447 -0.308 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC001261379018 826508556 /nfs/dbraw/zinc/50/85/56/826508556.db2.gz PGZKZSPZRAKHEL-CHWSQXEVSA-N 2 0 296.415 -0.156 20 0 CBADRP COC(=O)CCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001261436233 826512723 /nfs/dbraw/zinc/51/27/23/826512723.db2.gz UYAAHTUSESWMDH-LBPRGKRZSA-N 2 0 273.377 -0.863 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCn2ccnc2)CC1 ZINC001261436282 826512961 /nfs/dbraw/zinc/51/29/61/826512961.db2.gz WUANDXWIBQDWSM-CQSZACIVSA-N 2 0 281.404 -0.529 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC001261460260 826517168 /nfs/dbraw/zinc/51/71/68/826517168.db2.gz XQVPVXUKRCUYNO-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP CC(C)[C@H](O)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001261482403 826521189 /nfs/dbraw/zinc/52/11/89/826521189.db2.gz LFFYLNILZJCDPK-CHWSQXEVSA-N 2 0 259.394 -0.799 20 0 CBADRP [NH3+]C1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC001261490151 826523425 /nfs/dbraw/zinc/52/34/25/826523425.db2.gz MUTQIVQEYREMSW-LLVKDONJSA-N 2 0 268.361 -0.806 20 0 CBADRP O=C(CN1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1 ZINC001261491715 826524581 /nfs/dbraw/zinc/52/45/81/826524581.db2.gz DKTKAEKTPWRBQD-NEPJUHHUSA-N 2 0 252.362 -0.756 20 0 CBADRP C[NH2+]CC(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001261493779 826525183 /nfs/dbraw/zinc/52/51/83/826525183.db2.gz QMFWNIXRGFDUNX-RYUDHWBXSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001261493544 826525240 /nfs/dbraw/zinc/52/52/40/826525240.db2.gz HAOJRQUASXLPFI-AAEUAGOBSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH2+]CC(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001261493777 826525454 /nfs/dbraw/zinc/52/54/54/826525454.db2.gz QMFWNIXRGFDUNX-NEPJUHHUSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH2+]CC(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001261493780 826525891 /nfs/dbraw/zinc/52/58/91/826525891.db2.gz QMFWNIXRGFDUNX-VXGBXAGGSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001261631957 826548000 /nfs/dbraw/zinc/54/80/00/826548000.db2.gz KPDQLFBWHIQBRF-ZETCQYMHSA-N 2 0 268.321 -0.965 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001261634100 826549469 /nfs/dbraw/zinc/54/94/69/826549469.db2.gz YIWXMPFWFPJWAB-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP OC[C@H]1[C@@H]2C[NH+](C/C=C/C[N@H+]3C[C@H]4[C@H](CO)[C@H]4C3)C[C@H]12 ZINC001261637270 826552008 /nfs/dbraw/zinc/55/20/08/826552008.db2.gz MUBJCWIWJFJXID-CHXOHTFWSA-N 2 0 278.396 -0.117 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001261636455 826552039 /nfs/dbraw/zinc/55/20/39/826552039.db2.gz KTMMNFOEPVEUEU-WDEREUQCSA-N 2 0 270.377 -0.879 20 0 CBADRP C[C@@H](CNC(=O)C[C@H]1CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC001261643272 826553368 /nfs/dbraw/zinc/55/33/68/826553368.db2.gz MSVVBALHGUDXPM-QWHCGFSZSA-N 2 0 268.405 -0.262 20 0 CBADRP O=C([C@@H]1CC12CC[NH2+]CC2)N1CCOC2(C[NH2+]C2)C1 ZINC001261646921 826555193 /nfs/dbraw/zinc/55/51/93/826555193.db2.gz BPBORUBSWLFRKV-NSHDSACASA-N 2 0 265.357 -0.423 20 0 CBADRP [NH3+]C[C@H]1CCN(C(=O)NCC2([NH3+])CCOCC2)C1 ZINC001261817814 826585634 /nfs/dbraw/zinc/58/56/34/826585634.db2.gz CHCFGKQGOMZUJO-SNVBAGLBSA-N 2 0 256.350 -0.516 20 0 CBADRP C([NH2+][C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1COCCN1 ZINC001261836717 826595205 /nfs/dbraw/zinc/59/52/05/826595205.db2.gz JVAHOQCDSYBCCZ-RFGFWPKPSA-N 2 0 269.389 -0.279 20 0 CBADRP [NH3+][C@H]1CC[C@H](C(=O)N2CCOC3(C[NH2+]C3)C2)CC1 ZINC001261887044 826604250 /nfs/dbraw/zinc/60/42/50/826604250.db2.gz WGYFWCVIAYRLIE-XYPYZODXSA-N 2 0 253.346 -0.295 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(O)(C[NH3+])CC2)C1 ZINC001262008712 826618111 /nfs/dbraw/zinc/61/81/11/826618111.db2.gz VYIINTPWWBORRO-NSHDSACASA-N 2 0 255.362 -0.360 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)CC[NH2+]CC2CC2)CC1 ZINC001262006976 826618420 /nfs/dbraw/zinc/61/84/20/826618420.db2.gz OCDKSALBHSYAER-UHFFFAOYSA-N 2 0 255.362 -0.312 20 0 CBADRP C[C@@H](NC(=O)[C@H](N)CC[NH+](C)C)C1CC[NH2+]CC1 ZINC001262006945 826618495 /nfs/dbraw/zinc/61/84/95/826618495.db2.gz NFRRGDWPTGMVFM-ZYHUDNBSSA-N 2 0 256.394 -0.230 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001262010830 826619160 /nfs/dbraw/zinc/61/91/60/826619160.db2.gz QAUGLFOGSWLZCM-GVXVVHGQSA-N 2 0 254.378 -0.334 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001262010828 826619515 /nfs/dbraw/zinc/61/95/15/826619515.db2.gz QAUGLFOGSWLZCM-DMDPSCGWSA-N 2 0 254.378 -0.334 20 0 CBADRP COC[C@@H]([NH3+])Cc1cn(CC2CC[NH2+]CC2)nn1 ZINC001262027556 826624001 /nfs/dbraw/zinc/62/40/01/826624001.db2.gz HYAPIFCKBCBWIK-NSHDSACASA-N 2 0 253.350 -0.206 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)NCCCC[NH+]1CCOCC1 ZINC001262035351 826626579 /nfs/dbraw/zinc/62/65/79/826626579.db2.gz HIDVJBNSCSIEFU-GFCCVEGCSA-N 2 0 273.377 -0.421 20 0 CBADRP COCC[C@H]([NH3+])C(=O)NCCCC[NH+]1CCOCC1 ZINC001262035352 826626886 /nfs/dbraw/zinc/62/68/86/826626886.db2.gz HIDVJBNSCSIEFU-LBPRGKRZSA-N 2 0 273.377 -0.421 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C ZINC001262038991 826627469 /nfs/dbraw/zinc/62/74/69/826627469.db2.gz DYKWUDFUACJAPE-WRWGMCAJSA-N 2 0 268.405 -0.232 20 0 CBADRP [NH3+]CCN(CC(F)(F)F)C(=O)[C@H]1C[NH2+]CCO1 ZINC001262038753 826627497 /nfs/dbraw/zinc/62/74/97/826627497.db2.gz YHZGUXVUVYZZHX-SSDOTTSWSA-N 2 0 255.240 -0.676 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262062283 826629388 /nfs/dbraw/zinc/62/93/88/826629388.db2.gz VRCDOODBTOCYMI-RNJOBUHISA-N 2 0 296.415 -0.171 20 0 CBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262073460 826632964 /nfs/dbraw/zinc/63/29/64/826632964.db2.gz SCQLFMARPWASNI-TXEJJXNPSA-N 2 0 296.415 -0.217 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001262075115 826633684 /nfs/dbraw/zinc/63/36/84/826633684.db2.gz KHQVHJFWGDEWLH-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC001262096690 826636457 /nfs/dbraw/zinc/63/64/57/826636457.db2.gz DNCJJNKQHADHCX-CHWFTXMASA-N 2 0 256.350 -0.519 20 0 CBADRP CNC(=O)C1([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CCOCC1 ZINC001262160692 826645995 /nfs/dbraw/zinc/64/59/95/826645995.db2.gz MNXYFFPTBPBWJJ-MNOVXSKESA-N 2 0 255.362 -0.001 20 0 CBADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CN[C@H]1CC[NH2+]C1 ZINC001262162417 826646203 /nfs/dbraw/zinc/64/62/03/826646203.db2.gz NRWLQJYRWDCOOW-WDEREUQCSA-N 2 0 250.350 -0.346 20 0 CBADRP CN(Cc1ccccc1)C(=O)CNC(C[NH3+])C[NH3+] ZINC001262194891 826657143 /nfs/dbraw/zinc/65/71/43/826657143.db2.gz HLXPOOUASWBBPO-UHFFFAOYSA-N 2 0 250.346 -0.479 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2cnoc2)CC1 ZINC001262566370 826710421 /nfs/dbraw/zinc/71/04/21/826710421.db2.gz ODHCMTJHZIMRMP-ZDUSSCGKSA-N 2 0 268.361 -0.585 20 0 CBADRP NC(=O)CC[NH2+]CC(=O)NCC[NH+]1CCCCC1 ZINC001262574631 826711726 /nfs/dbraw/zinc/71/17/26/826711726.db2.gz WVKCQKKKSMLDSO-UHFFFAOYSA-N 2 0 256.350 -0.947 20 0 CBADRP [NH3+]CCCNC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001262584298 826712249 /nfs/dbraw/zinc/71/22/49/826712249.db2.gz YHKAPEIIUODPSV-UHFFFAOYSA-N 2 0 271.409 -0.290 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)NC[C@H](C)C[NH3+] ZINC001262584448 826713450 /nfs/dbraw/zinc/71/34/50/826713450.db2.gz BUCBXEGNICNOJH-MNOVXSKESA-N 2 0 258.366 -0.399 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]([NH3+])C(C)C ZINC001262584416 826713497 /nfs/dbraw/zinc/71/34/97/826713497.db2.gz BGCANPUISTZOHA-QWRGUYRKSA-N 2 0 258.366 -0.401 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC001262587994 826713568 /nfs/dbraw/zinc/71/35/68/826713568.db2.gz RYRFIZAHBNDSHS-JJOYANBFSA-N 2 0 252.362 -0.107 20 0 CBADRP CC1(C)CN(C(=O)[C@H]2[NH2+]CC23CCOCC3)CC[NH2+]1 ZINC001263067514 826731514 /nfs/dbraw/zinc/73/15/14/826731514.db2.gz OXZLIIKHUYWIRP-LLVKDONJSA-N 2 0 267.373 -0.035 20 0 CBADRP CCC[NH2+]CCNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001263067593 826731670 /nfs/dbraw/zinc/73/16/70/826731670.db2.gz QXZHXMIWSCROMQ-LLVKDONJSA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2C[NH2+]CCN2C)C[C@@H](C)O1 ZINC001263093914 826735066 /nfs/dbraw/zinc/73/50/66/826735066.db2.gz QDKCAZSYQJOHGP-MCIONIFRSA-N 2 0 298.431 -0.495 20 0 CBADRP CC[NH+](CC)CCCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001263092524 826735823 /nfs/dbraw/zinc/73/58/23/826735823.db2.gz WRUVZIBNVOZKJC-AAEUAGOBSA-N 2 0 257.378 -0.053 20 0 CBADRP COC1CC[NH+](C(C)(C)CNC(=O)CNCC[NH3+])CC1 ZINC001263100681 826736203 /nfs/dbraw/zinc/73/62/03/826736203.db2.gz UUYHHLIDCRFKLC-UHFFFAOYSA-N 2 0 286.420 -0.460 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1(C[NH3+])CC(O)C1 ZINC001263096643 826736450 /nfs/dbraw/zinc/73/64/50/826736450.db2.gz XKVJFFPSZGMWLE-LKSINWNRSA-N 2 0 269.389 -0.114 20 0 CBADRP C[NH2+]C1(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CCC1 ZINC001263100500 826736940 /nfs/dbraw/zinc/73/69/40/826736940.db2.gz PSRWNXSWLFSZRI-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H](CNC(=O)C[C@H](O)C[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC001263095472 826737311 /nfs/dbraw/zinc/73/73/11/826737311.db2.gz MXOWNSDSXQCPFK-WOPDTQHZSA-N 2 0 257.378 -0.067 20 0 CBADRP C[NH2+]CCN(C)C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001263104546 826738100 /nfs/dbraw/zinc/73/81/00/826738100.db2.gz LLKZCUJFUSWFPV-GFCCVEGCSA-N 2 0 254.334 -0.437 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001263104741 826738272 /nfs/dbraw/zinc/73/82/72/826738272.db2.gz RQKYGYIBWOJUGQ-TUAOUCFPSA-N 2 0 282.388 -0.621 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001263103253 826738679 /nfs/dbraw/zinc/73/86/79/826738679.db2.gz UELMWRLHENTIAG-UKRRQHHQSA-N 2 0 298.431 -0.757 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC001263107799 826739539 /nfs/dbraw/zinc/73/95/39/826739539.db2.gz GKFOYIGVIZBIHP-NEPJUHHUSA-N 2 0 254.378 -0.380 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC001263109636 826740391 /nfs/dbraw/zinc/74/03/91/826740391.db2.gz BTWONWCFNKCTIQ-CSMHCCOUSA-N 2 0 253.293 -0.699 20 0 CBADRP C[C@H](CCC[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001263109152 826740670 /nfs/dbraw/zinc/74/06/70/826740670.db2.gz PVIAGTHEROPTCI-WZRBSPASSA-N 2 0 255.362 -0.144 20 0 CBADRP C[NH+](C)CCCOC1CCN(C(=O)C[C@H](O)C[NH3+])CC1 ZINC001263117552 826741716 /nfs/dbraw/zinc/74/17/16/826741716.db2.gz DMHOPACHDKTKGA-LBPRGKRZSA-N 2 0 287.404 -0.345 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001263130035 826741734 /nfs/dbraw/zinc/74/17/34/826741734.db2.gz IQVKYUMDOYMPGU-MNOVXSKESA-N 2 0 255.362 -0.184 20 0 CBADRP O=C(NCC[C@@H]1CSCC[NH2+]1)C12CC(C1)C[NH2+]2 ZINC001263134581 826742880 /nfs/dbraw/zinc/74/28/80/826742880.db2.gz XTMFEKRFNZOAOY-SQLBVSGCSA-N 2 0 255.387 -0.050 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCC1CC[NH2+]CC1 ZINC001263151210 826743594 /nfs/dbraw/zinc/74/35/94/826743594.db2.gz VZYUGSZUTNKETQ-ZYHUDNBSSA-N 2 0 257.378 -0.291 20 0 CBADRP CN(CCC[NH3+])C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001263144533 826744084 /nfs/dbraw/zinc/74/40/84/826744084.db2.gz OBCZECPMJODSCU-GFCCVEGCSA-N 2 0 254.334 -0.308 20 0 CBADRP O=C(NCC1(O)C[NH2+]C1)[C@@H]1C[NH2+]CCC12CCC2 ZINC001263153287 826744692 /nfs/dbraw/zinc/74/46/92/826744692.db2.gz IGAJODOPGHULGE-JTQLQIEISA-N 2 0 253.346 -0.783 20 0 CBADRP [NH3+]C[C@]1(C(=O)N2CCC3(C[NH2+]C3)CC2)CCCOC1 ZINC001263152041 826745097 /nfs/dbraw/zinc/74/50/97/826745097.db2.gz UPENVEUNSBIYJL-CQSZACIVSA-N 2 0 267.373 -0.046 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CC1 ZINC001263156142 826745267 /nfs/dbraw/zinc/74/52/67/826745267.db2.gz NRHSDSVQVKMSLW-LLVKDONJSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+]CCNCC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001263153420 826745376 /nfs/dbraw/zinc/74/53/76/826745376.db2.gz LZDNTTOSIDFUSB-NWDGAFQWSA-N 2 0 254.378 -0.332 20 0 CBADRP CC[C@]1(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CCC[NH2+]1 ZINC001263155778 826745420 /nfs/dbraw/zinc/74/54/20/826745420.db2.gz FPAZNKYUMWIORF-ZWNOBZJWSA-N 2 0 253.346 -0.234 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC12CC(C1)C[NH2+]2 ZINC001263160896 826746690 /nfs/dbraw/zinc/74/66/90/826746690.db2.gz QGMAZTYLFBWJBR-KTEZZQQRSA-N 2 0 264.373 -0.757 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC001263176184 826749314 /nfs/dbraw/zinc/74/93/14/826749314.db2.gz YBYSZVRJEKTQGL-NHCYSSNCSA-N 2 0 257.378 -0.293 20 0 CBADRP C[C@]1(C(=O)N2CCNCC[NH2+]CC2)CCC[NH2+]C1 ZINC001263211210 826754097 /nfs/dbraw/zinc/75/40/97/826754097.db2.gz JBTFWBFJZRNIPQ-ZDUSSCGKSA-N 2 0 254.378 -0.603 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)C1 ZINC001263211707 826754113 /nfs/dbraw/zinc/75/41/13/826754113.db2.gz AOMGQRJYUDBKRO-KGYLQXTDSA-N 2 0 253.346 -0.702 20 0 CBADRP O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCNCC[NH2+]CC1 ZINC001263211475 826754293 /nfs/dbraw/zinc/75/42/93/826754293.db2.gz QNRKMOXZXKRTGV-UONOGXRCSA-N 2 0 280.416 -0.357 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]2(C)C[NH2+]CCO2)CC[C@@H]1C[NH3+] ZINC001263214787 826755069 /nfs/dbraw/zinc/75/50/69/826755069.db2.gz WDONROKIFTXTBP-WZRBSPASSA-N 2 0 255.362 -0.192 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC001263215666 826755306 /nfs/dbraw/zinc/75/53/06/826755306.db2.gz CINSSWWOVCFFCL-UZWSLXQKSA-N 2 0 255.362 -0.193 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC001263226308 826756218 /nfs/dbraw/zinc/75/62/18/826756218.db2.gz OYRVWWAJRJMRNN-TUAOUCFPSA-N 2 0 267.373 -0.001 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001263281783 826761387 /nfs/dbraw/zinc/76/13/87/826761387.db2.gz FAPDHLNKZJTPQC-CABZTGNLSA-N 2 0 253.346 -0.439 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001263322146 826764070 /nfs/dbraw/zinc/76/40/70/826764070.db2.gz FNDJOPZRTWSVGR-SNVBAGLBSA-N 2 0 265.361 -0.002 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1C[NH2+]CC12CC2 ZINC001263324625 826764103 /nfs/dbraw/zinc/76/41/03/826764103.db2.gz YLWPWGPTMDRMID-UTUOFQBUSA-N 2 0 264.373 -0.757 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCN1C[C@H]2C ZINC001263746365 826774028 /nfs/dbraw/zinc/77/40/28/826774028.db2.gz KFTVVFLBJXOMEE-ZIAGYGMSSA-N 2 0 298.431 -0.541 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCOCCO)C2)C1 ZINC001264438997 826811189 /nfs/dbraw/zinc/81/11/89/826811189.db2.gz HVUGUXAWTWLAMD-IHRRRGAJSA-N 2 0 299.415 -0.569 20 0 CBADRP C[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CC(N)=O ZINC001265000698 826829693 /nfs/dbraw/zinc/82/96/93/826829693.db2.gz BFWPLKYWTRPTLQ-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CC(N)=O ZINC001265000700 826832274 /nfs/dbraw/zinc/83/22/74/826832274.db2.gz BFWPLKYWTRPTLQ-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCOCCO)C1)[NH+](C)C ZINC001265312047 826879274 /nfs/dbraw/zinc/87/92/74/826879274.db2.gz GGPWXMSCGPJFCX-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001265318987 826882949 /nfs/dbraw/zinc/88/29/49/826882949.db2.gz GPESSXUWNXXOST-NEPJUHHUSA-N 2 0 257.378 -0.102 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001265444190 826892205 /nfs/dbraw/zinc/89/22/05/826892205.db2.gz OGKBZKMKFRENIW-JTQLQIEISA-N 2 0 256.350 -0.996 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001265452500 826893795 /nfs/dbraw/zinc/89/37/95/826893795.db2.gz JRRWQUCRCXXLPD-JTQLQIEISA-N 2 0 256.350 -0.996 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001265459789 826894876 /nfs/dbraw/zinc/89/48/76/826894876.db2.gz NEFNVQMDTKDJEP-ZDUSSCGKSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[C@H](C(=O)NCCC[N@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001265871744 826932240 /nfs/dbraw/zinc/93/22/40/826932240.db2.gz FZJUFRBYVDATQO-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001265912099 826937131 /nfs/dbraw/zinc/93/71/31/826937131.db2.gz NRLUQCMMIYJIHE-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP CC(C)[C@H](C(=O)NCCC[N@H+](C)[C@H]1CCNC1=O)[NH+](C)C ZINC001265956494 826942388 /nfs/dbraw/zinc/94/23/88/826942388.db2.gz PDSUEBVYEBIPDV-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001266012604 826946092 /nfs/dbraw/zinc/94/60/92/826946092.db2.gz GPWDQJBZWHDWHN-NWDGAFQWSA-N 2 0 257.378 -0.243 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@H+](CCO)C2)CC1 ZINC001266236793 826962335 /nfs/dbraw/zinc/96/23/35/826962335.db2.gz NQKCCYIZAUKDFH-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCOCCO)C1 ZINC001266336857 826985182 /nfs/dbraw/zinc/98/51/82/826985182.db2.gz XMEIGJBVVJIOFT-KGLIPLIRSA-N 2 0 299.415 -0.330 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCO)C1CC1 ZINC001266414513 826996617 /nfs/dbraw/zinc/99/66/17/826996617.db2.gz DIXKWKUNISJCEQ-CHWSQXEVSA-N 2 0 269.389 -0.053 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCO)C1CC1 ZINC001266414515 826997295 /nfs/dbraw/zinc/99/72/95/826997295.db2.gz DIXKWKUNISJCEQ-QWHCGFSZSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001266442320 827000603 /nfs/dbraw/zinc/00/06/03/827000603.db2.gz WXKIUOMGSJNEDU-YPMHNXCESA-N 2 0 269.389 -0.053 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H](C)O)C1 ZINC001266640644 827038418 /nfs/dbraw/zinc/03/84/18/827038418.db2.gz XXDSAQKFOMVPLF-SRVKXCTJSA-N 2 0 257.378 -0.056 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CCCO)C2)C1 ZINC001266713210 827055951 /nfs/dbraw/zinc/05/59/51/827055951.db2.gz RRUVZPCLVOZARE-UPJWGTAASA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CCCO)C2)C1 ZINC001266713209 827056218 /nfs/dbraw/zinc/05/62/18/827056218.db2.gz RRUVZPCLVOZARE-RWMBFGLXSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCOCCO ZINC001266939815 827092493 /nfs/dbraw/zinc/09/24/93/827092493.db2.gz OVJMCSLNQCBPCJ-JSGCOSHPSA-N 2 0 299.415 -0.569 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCCO ZINC001266939416 827093789 /nfs/dbraw/zinc/09/37/89/827093789.db2.gz HOPYHQHYRXOFQX-AAEUAGOBSA-N 2 0 269.389 -0.195 20 0 CBADRP CN(CC[NH2+]CCc1ccnn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267072337 827112867 /nfs/dbraw/zinc/11/28/67/827112867.db2.gz XVGIVBVZWJYVDN-ZDUSSCGKSA-N 2 0 293.415 -0.038 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC(=O)N(C)C ZINC001267379648 827161704 /nfs/dbraw/zinc/16/17/04/827161704.db2.gz BHWHEBQZMSLESX-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+]CC(=O)N1CCCC1)[NH+](C)C ZINC001267390543 827163033 /nfs/dbraw/zinc/16/30/33/827163033.db2.gz QYHKVPXFEFDVPI-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CCNC(=O)C[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001267428936 827169695 /nfs/dbraw/zinc/16/96/95/827169695.db2.gz HHZXFWLZEGDKKB-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP CCN1CCO[C@@H](C(=O)N(C)CC[NH2+]C[C@H](C)OC)C1 ZINC001267471258 827175337 /nfs/dbraw/zinc/17/53/37/827175337.db2.gz ANUABFXUOOYLOY-QWHCGFSZSA-N 2 0 287.404 -0.210 20 0 CBADRP C[NH+](C)C1(C(=O)NCC2C[NH+](CCCO)C2)CCC1 ZINC001267683304 827197288 /nfs/dbraw/zinc/19/72/88/827197288.db2.gz RBMHROUUFNYQSU-UHFFFAOYSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCO ZINC001267713500 827205503 /nfs/dbraw/zinc/20/55/03/827205503.db2.gz JKKHRYCCZRRFRU-RYUDHWBXSA-N 2 0 255.362 -0.394 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](CCOCCO)C2)CCC1 ZINC001267726218 827208515 /nfs/dbraw/zinc/20/85/15/827208515.db2.gz WKVWFENBKJTTAM-ZDUSSCGKSA-N 2 0 299.415 -0.330 20 0 CBADRP COCCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001267734701 827211693 /nfs/dbraw/zinc/21/16/93/827211693.db2.gz VEBOHKYJTXOKMK-AWEZNQCLSA-N 2 0 299.415 -0.064 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]C[C@H](C)O ZINC001268011750 827241209 /nfs/dbraw/zinc/24/12/09/827241209.db2.gz XXLPJLDNVJEESV-RYUDHWBXSA-N 2 0 269.389 -0.195 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC1CC1)[NH+](C)C ZINC001268321882 827299605 /nfs/dbraw/zinc/29/96/05/827299605.db2.gz OLULKSLRAISOBN-NEPJUHHUSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@@H](CC[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268390734 827322085 /nfs/dbraw/zinc/32/20/85/827322085.db2.gz GFRMKCJVVGBZRL-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CCN(CC[NH2+]CC(=O)NC)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001268461504 827335786 /nfs/dbraw/zinc/33/57/86/827335786.db2.gz LIARWBQXFNPKCO-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268556503 827363354 /nfs/dbraw/zinc/36/33/54/827363354.db2.gz PNLXANMCTABWTA-AAAGKOELSA-N 2 0 296.415 -0.133 20 0 CBADRP CNC(=O)C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268571717 827366871 /nfs/dbraw/zinc/36/68/71/827366871.db2.gz FFDZJXICMIGANT-SNAWJCMRSA-N 2 0 296.415 -0.131 20 0 CBADRP CN(C)C(=O)C[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001268612600 827381447 /nfs/dbraw/zinc/38/14/47/827381447.db2.gz GRGWJNKEDZSXFA-ONEGZZNKSA-N 2 0 294.399 -0.568 20 0 CBADRP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001268625277 827381801 /nfs/dbraw/zinc/38/18/01/827381801.db2.gz MEBOSDAOHXALJR-AGFGORMFSA-N 2 0 296.415 -0.323 20 0 CBADRP C[C@H](C[NH2+]CCCO)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268645528 827390098 /nfs/dbraw/zinc/39/00/98/827390098.db2.gz PGOGWTTUFJAKBD-IJLUTSLNSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@H](C[NH2+]CCO)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001268675130 827399724 /nfs/dbraw/zinc/39/97/24/827399724.db2.gz XJDTWKNSLWKHKI-NWDGAFQWSA-N 2 0 273.377 -0.959 20 0 CBADRP CN(CCC[NH2+]CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268800878 827423509 /nfs/dbraw/zinc/42/35/09/827423509.db2.gz AQFXKPCTDBNTRC-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP CN(CCC[NH2+]CC(N)=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001268799300 827424075 /nfs/dbraw/zinc/42/40/75/827424075.db2.gz XJUUGUBQHTXUKV-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP CN(C)C(=O)C[NH2+]CCCN(C)C(=O)CC[NH+](C)C ZINC001268835183 827428148 /nfs/dbraw/zinc/42/81/48/827428148.db2.gz GDZHISKCSYBPKF-UHFFFAOYSA-N 2 0 272.393 -0.536 20 0 CBADRP CN(CCC[NH2+]Cc1cnnn1C)C(=O)C[NH+]1CCCC1 ZINC001268949985 827444046 /nfs/dbraw/zinc/44/40/46/827444046.db2.gz HSOWYDCXVUAEQR-UHFFFAOYSA-N 2 0 294.403 -0.151 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCCO)C1CC1 ZINC001269051231 827457139 /nfs/dbraw/zinc/45/71/39/827457139.db2.gz PKTFBBQSGKHXMS-QWHCGFSZSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@H](O)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001269522872 827516149 /nfs/dbraw/zinc/51/61/49/827516149.db2.gz UJUIITYNTJVKHT-RYUDHWBXSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH+](C)CCN1CC2(C1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001270672093 827588659 /nfs/dbraw/zinc/58/86/59/827588659.db2.gz HVBMROQBXBRGOF-ZDUSSCGKSA-N 2 0 280.416 -0.214 20 0 CBADRP COCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001271031794 827616017 /nfs/dbraw/zinc/61/60/17/827616017.db2.gz WCVQTLUHBQEDBA-CYBMUJFWSA-N 2 0 299.415 -0.018 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(N)=O)N(C)C(=O)CC[NH+](C)C ZINC001271090646 827621566 /nfs/dbraw/zinc/62/15/66/827621566.db2.gz BIZXGRAVKCNKDL-NXEZZACHSA-N 2 0 258.366 -0.752 20 0 CBADRP C[C@H](C[NH2+]CCO)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001271100268 827622745 /nfs/dbraw/zinc/62/27/45/827622745.db2.gz GUJFDMFEXPQEBR-NWDGAFQWSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C)[NH+](C)C ZINC001271148231 827630368 /nfs/dbraw/zinc/63/03/68/827630368.db2.gz KLJAPQYGDATHNM-MJBXVCDLSA-N 2 0 298.431 -0.590 20 0 CBADRP CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001271221651 827678197 /nfs/dbraw/zinc/67/81/97/827678197.db2.gz YVTHBCQHAHQEJC-JSGCOSHPSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C1(O)CC[NH+](C)CC1 ZINC001271801237 827727442 /nfs/dbraw/zinc/72/74/42/827727442.db2.gz GCONQMUBPIAUGX-RYUDHWBXSA-N 2 0 267.373 -0.252 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC[C@@H](CC[NH2+]CC(N)=O)C2)CCC1 ZINC001272458460 827802412 /nfs/dbraw/zinc/80/24/12/827802412.db2.gz YXXKSGUQPFIYJS-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCCC2(C[NH+](C)C2)C1 ZINC001272555678 827819936 /nfs/dbraw/zinc/81/99/36/827819936.db2.gz QBFGJWTXKYRZGM-ZDUSSCGKSA-N 2 0 280.416 -0.214 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC001272556216 827820673 /nfs/dbraw/zinc/82/06/73/827820673.db2.gz YSYUVTOOKWEMJA-YNEHKIRRSA-N 2 0 266.389 -0.605 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCF ZINC001272582928 827823791 /nfs/dbraw/zinc/82/37/91/827823791.db2.gz DFXZIXKUVRUAJN-RYUDHWBXSA-N 2 0 275.368 -0.103 20 0 CBADRP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001272781805 827839018 /nfs/dbraw/zinc/83/90/18/827839018.db2.gz JVHUSWDHNSCCHC-AAEUAGOBSA-N 2 0 296.415 -0.441 20 0 CBADRP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001272781806 827839669 /nfs/dbraw/zinc/83/96/69/827839669.db2.gz JVHUSWDHNSCCHC-DGCLKSJQSA-N 2 0 296.415 -0.441 20 0 CBADRP C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@@H](O)C1)CC2 ZINC001273070007 827860347 /nfs/dbraw/zinc/86/03/47/827860347.db2.gz PCMHNEFWQYVCPD-CYBMUJFWSA-N 2 0 281.400 -0.003 20 0 CBADRP C[NH+](C)CCN1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001273108987 827864803 /nfs/dbraw/zinc/86/48/03/827864803.db2.gz XRSBUXPRTRYGAG-UHFFFAOYSA-N 2 0 284.404 -0.977 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CCF)C1 ZINC001273300579 827886963 /nfs/dbraw/zinc/88/69/63/827886963.db2.gz LTNZUKMSXBSREZ-NWDGAFQWSA-N 2 0 273.352 -0.133 20 0 CBADRP CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]CCCO)C1)[NH+](C)C ZINC001273342671 827890308 /nfs/dbraw/zinc/89/03/08/827890308.db2.gz OWRHEJCBDGVYTP-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP COCCC[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273475759 827903339 /nfs/dbraw/zinc/90/33/39/827903339.db2.gz ZAINMVYYCCCWBK-OAHLLOKOSA-N 2 0 299.415 -0.112 20 0 CBADRP CCN(CC[NH2+]CC(=O)N(C)C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001273546738 827910670 /nfs/dbraw/zinc/91/06/70/827910670.db2.gz SGBMCIAAMDGONK-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274047655 827955888 /nfs/dbraw/zinc/95/58/88/827955888.db2.gz SBIOOAFNASIYJC-TZMCWYRMSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@H](CO)C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274069016 827965277 /nfs/dbraw/zinc/96/52/77/827965277.db2.gz RSRXMHZBENVSKX-ZFWWWQNUSA-N 2 0 299.415 -0.520 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274073498 827966357 /nfs/dbraw/zinc/96/63/57/827966357.db2.gz NYQZKIBIRBSPAY-CQSZACIVSA-N 2 0 282.388 -0.782 20 0 CBADRP CCNC(=O)C[NH2+]C/C=C/CNC(=O)C1([NH+](C)C)CCC1 ZINC001274090249 827968299 /nfs/dbraw/zinc/96/82/99/827968299.db2.gz YLJJGNQTFPVYFL-AATRIKPKSA-N 2 0 296.415 -0.131 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@H]1CCNC1=O ZINC001274133954 827968735 /nfs/dbraw/zinc/96/87/35/827968735.db2.gz OTUNCRZDQAQMMD-RSNNXLNZSA-N 2 0 294.399 -0.379 20 0 CBADRP C[C@@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001274262828 827979313 /nfs/dbraw/zinc/97/93/13/827979313.db2.gz IQVZDDNPBFUQSR-YIZUVKHSSA-N 2 0 268.361 -0.784 20 0 CBADRP CNC(=O)C[NH2+]C/C=C/CNC(=O)C[NH+]1CCC(C)CC1 ZINC001274465331 827992765 /nfs/dbraw/zinc/99/27/65/827992765.db2.gz VNZNFMABULPVDF-ONEGZZNKSA-N 2 0 296.415 -0.274 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001274518447 827996450 /nfs/dbraw/zinc/99/64/50/827996450.db2.gz GVIPRERZVCGRSQ-FVWNJDPFSA-N 2 0 298.431 -0.031 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001274518446 827996742 /nfs/dbraw/zinc/99/67/42/827996742.db2.gz GVIPRERZVCGRSQ-AHYBDNRGSA-N 2 0 298.431 -0.031 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]CCCO)C1 ZINC001274579171 828004150 /nfs/dbraw/zinc/00/41/50/828004150.db2.gz RIUITQDCPPVVOR-JDGPPOGSSA-N 2 0 255.362 -0.418 20 0 CBADRP COCC[NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1 ZINC001274579480 828006755 /nfs/dbraw/zinc/00/67/55/828006755.db2.gz UTQNKBRRTIOARX-IHWYPQMZSA-N 2 0 255.362 -0.009 20 0 CBADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](CC(C)(C)O)C2)OCC1=O ZINC001274593190 828007026 /nfs/dbraw/zinc/00/70/26/828007026.db2.gz JVYYIBQHURBEDE-OAHLLOKOSA-N 2 0 299.415 -0.378 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)C[N@H+](C)C(C)C ZINC001274608129 828007733 /nfs/dbraw/zinc/00/77/33/828007733.db2.gz DMVIIVGYOHMOQS-DGMVEKRQSA-N 2 0 284.404 -0.277 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001274607933 828010174 /nfs/dbraw/zinc/01/01/74/828010174.db2.gz BIGUWVASETYXHR-ROUHBEFFSA-N 2 0 282.388 -0.394 20 0 CBADRP CNC(=O)C[NH2+]C/C=C/CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001274609300 828012201 /nfs/dbraw/zinc/01/22/01/828012201.db2.gz JYUSMTFFKOYUGJ-GHEOONOUSA-N 2 0 296.415 -0.133 20 0 CBADRP CCOC(=O)CCN1C[C@@H]2CN(CC[NH+](C)C)C[C@H](C1)O2 ZINC001274932761 828043178 /nfs/dbraw/zinc/04/31/78/828043178.db2.gz CTHJCHCNNUIXKM-OKILXGFUSA-N 2 0 299.415 -0.114 20 0 CBADRP CCOC(=O)CC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001274933900 828044207 /nfs/dbraw/zinc/04/42/07/828044207.db2.gz OGJSMLIOHHLRTL-KGLIPLIRSA-N 2 0 299.415 -0.114 20 0 CBADRP COCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001274981858 828046433 /nfs/dbraw/zinc/04/64/33/828046433.db2.gz XTDWGOXOWSFLGZ-OLZOCXBDSA-N 2 0 257.378 -0.421 20 0 CBADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C)CC3)[C@H]2C1 ZINC001275045874 828052855 /nfs/dbraw/zinc/05/28/55/828052855.db2.gz TVZHXHIFJBKLET-RYUDHWBXSA-N 2 0 294.399 -0.783 20 0 CBADRP C[NH+](C)CCN1C[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H](C1)O2 ZINC001275172788 828062502 /nfs/dbraw/zinc/06/25/02/828062502.db2.gz VRCBHELQPWJXOO-SOUVJXGZSA-N 2 0 283.416 -0.031 20 0 CBADRP COC(=O)CCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001275158309 828063008 /nfs/dbraw/zinc/06/30/08/828063008.db2.gz BNOTVMVXALFHHC-KGLIPLIRSA-N 2 0 299.415 -0.114 20 0 CBADRP C[NH+](C)CCN1CCC2(C[NH+](C[C@H]3CCC(=O)N3)C2)C1 ZINC001275187680 828064406 /nfs/dbraw/zinc/06/44/06/828064406.db2.gz KOUIFBKMFIKGSP-CYBMUJFWSA-N 2 0 280.416 -0.166 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CCCO ZINC001275793853 828115543 /nfs/dbraw/zinc/11/55/43/828115543.db2.gz WFPIITALIVBKSO-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP CN(CCC[NH2+]Cc1nncn1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001275914754 828123179 /nfs/dbraw/zinc/12/31/79/828123179.db2.gz CLSJESXKCQVSCS-LBPRGKRZSA-N 2 0 294.403 -0.153 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)N(C)CC(N)=O ZINC001275969389 828126513 /nfs/dbraw/zinc/12/65/13/828126513.db2.gz CAISLQZINQDRGA-JTQLQIEISA-N 2 0 258.366 -0.750 20 0 CBADRP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1c[nH]c(=O)[nH]c1=O)C2 ZINC001276110156 828135168 /nfs/dbraw/zinc/13/51/68/828135168.db2.gz CLNHSSHRYOVMMA-UHFFFAOYSA-N 2 0 293.371 -0.433 20 0 CBADRP CNC(=O)C[NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001276259030 828140365 /nfs/dbraw/zinc/14/03/65/828140365.db2.gz RKCQOCPIENSHSC-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@@H](O)C[NH2+]CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001276386859 828144432 /nfs/dbraw/zinc/14/44/32/828144432.db2.gz PWYKKWJIQJVRHM-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP C[NH+](C)CCN1C[C@@H]2C[N@@H+](CC3(C)COC3)C[C@H](C1)O2 ZINC001276422290 828145106 /nfs/dbraw/zinc/14/51/06/828145106.db2.gz UFBZRISPIJLHRQ-OKILXGFUSA-N 2 0 283.416 -0.031 20 0 CBADRP COC(=O)[C@@H](C)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001276521572 828148395 /nfs/dbraw/zinc/14/83/95/828148395.db2.gz DCCQZAYGTFAXLR-MELADBBJSA-N 2 0 299.415 -0.258 20 0 CBADRP O=C(N[C@@H](C[NH2+]CCO)C1CC1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001276602603 828152239 /nfs/dbraw/zinc/15/22/39/828152239.db2.gz BFZIIRINECIURS-UTUOFQBUSA-N 2 0 278.356 -0.010 20 0 CBADRP COC(C[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1)OC ZINC001276642547 828154147 /nfs/dbraw/zinc/15/41/47/828154147.db2.gz IXAAXVVRHGJVNF-STQMWFEESA-N 2 0 287.404 -0.448 20 0 CBADRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1COCCO1)C2 ZINC001277526372 828193340 /nfs/dbraw/zinc/19/33/40/828193340.db2.gz CGRYZHMRFIOPEM-ILXRZTDVSA-N 2 0 283.416 -0.031 20 0 CBADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](C[C@@H]3COCCO3)C[C@H]21 ZINC001277527153 828194414 /nfs/dbraw/zinc/19/44/14/828194414.db2.gz WBUHENMGRHJSPF-KFWWJZLASA-N 2 0 299.415 -0.652 20 0 CBADRP Cn1c[nH+]cc1N1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277769806 828208513 /nfs/dbraw/zinc/20/85/13/828208513.db2.gz UWKOFSZMTZAJSC-STQMWFEESA-N 2 0 279.388 -0.129 20 0 CBADRP COC(=O)C[N@H+]1C[C@@H]2CC[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001277821852 828212409 /nfs/dbraw/zinc/21/24/09/828212409.db2.gz PYDZHHVQHYKAPJ-BETUJISGSA-N 2 0 297.399 -0.109 20 0 CBADRP C[C@H](O)C[NH+]1CC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001277955713 828222017 /nfs/dbraw/zinc/22/20/17/828222017.db2.gz UALFMVFCADAOLC-JSGCOSHPSA-N 2 0 293.411 -0.004 20 0 CBADRP C[NH+](C)CCCCC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001277980026 828224862 /nfs/dbraw/zinc/22/48/62/828224862.db2.gz CQXJYFZLLZVBIW-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP CN(C)C(=O)C[N@H+]1CC[C@H]2C[NH+](CC(N)=O)C[C@H]2CC1 ZINC001277981951 828226811 /nfs/dbraw/zinc/22/68/11/828226811.db2.gz QQNQKADCKLULRE-TXEJJXNPSA-N 2 0 282.388 -0.796 20 0 CBADRP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CC(N)=O ZINC001277986681 828228040 /nfs/dbraw/zinc/22/80/40/828228040.db2.gz BJVCNKCIMFZTBH-SNVBAGLBSA-N 2 0 268.361 -0.996 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001278032553 828232760 /nfs/dbraw/zinc/23/27/60/828232760.db2.gz SGAKMAWHEBVQRU-RWMBFGLXSA-N 2 0 268.405 -0.182 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CCCC[NH+](C)C ZINC001278417780 828269327 /nfs/dbraw/zinc/26/93/27/828269327.db2.gz XNGSGVWWOBGALG-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CCCC[NH+](C)C ZINC001278417779 828269545 /nfs/dbraw/zinc/26/95/45/828269545.db2.gz XNGSGVWWOBGALG-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001278765911 828283575 /nfs/dbraw/zinc/28/35/75/828283575.db2.gz FDMNTAQUILBHOB-WCQYABFASA-N 2 0 255.362 -0.347 20 0 CBADRP CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001278765910 828283979 /nfs/dbraw/zinc/28/39/79/828283979.db2.gz FDMNTAQUILBHOB-DGCLKSJQSA-N 2 0 255.362 -0.347 20 0 CBADRP CC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001279509660 828328694 /nfs/dbraw/zinc/32/86/94/828328694.db2.gz LYGAPEHXPJKBIP-CYBMUJFWSA-N 2 0 257.378 -0.099 20 0 CBADRP [NH3+][C@@H]1CCCCCN(CC(=O)N2CC[NH2+]CC2)C1 ZINC001348563560 890649989 /nfs/dbraw/zinc/64/99/89/890649989.db2.gz SBXPBPVZJLGDOQ-GFCCVEGCSA-N 2 0 254.378 -0.379 20 0 CBADRP CC1(C)CC[NH2+]CCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC001348838127 890711246 /nfs/dbraw/zinc/71/12/46/890711246.db2.gz WBQNLHGJQOBALY-VIFPVBQESA-N 2 0 254.334 -0.310 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC001349808790 890895888 /nfs/dbraw/zinc/89/58/88/890895888.db2.gz QWKDZUBNCLGSSR-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001188146175 884719981 /nfs/dbraw/zinc/71/99/81/884719981.db2.gz XJXYHJXABQGYRL-GFCCVEGCSA-N 2 0 284.404 -0.395 20 0 CBADRP C[NH2+]CCCNC(=O)c1cn(CCCC[NH3+])nn1 ZINC001326038958 884883167 /nfs/dbraw/zinc/88/31/67/884883167.db2.gz UTEXXAVUBJAIIF-UHFFFAOYSA-N 2 0 254.338 -0.644 20 0 CBADRP C[C@@]1(C[NH3+])CCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC001326096027 884904768 /nfs/dbraw/zinc/90/47/68/884904768.db2.gz BSBBNEAFBSQISB-ZDUSSCGKSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)c1cn(CCC[NH3+])nn1 ZINC001326565928 885067004 /nfs/dbraw/zinc/06/70/04/885067004.db2.gz IPFLKRMXVZHOGA-VIFPVBQESA-N 2 0 252.322 -0.939 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]CC2)CCCO1 ZINC001326626217 885095201 /nfs/dbraw/zinc/09/52/01/885095201.db2.gz INXGPJDTXZNCGV-NWDGAFQWSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001327597061 885424071 /nfs/dbraw/zinc/42/40/71/885424071.db2.gz MHTILHBKCFYYAD-CIUDSAMLSA-N 2 0 251.334 -0.048 20 0 CBADRP C[C@H]1CN(CCN2CCN([C@H]3CC[NH2+]C3)CC2)CCO1 ZINC001329500227 886098213 /nfs/dbraw/zinc/09/82/13/886098213.db2.gz ZWOLLBXXGHGYBJ-GJZGRUSLSA-N 2 0 282.432 -0.313 20 0 CBADRP O=C1C[C@@H](C[NH2+]C2CCN([C@@H]3CCOC3)CC2)CN1 ZINC001329942062 886290167 /nfs/dbraw/zinc/29/01/67/886290167.db2.gz VLRWMMSQXBEWPM-WCQYABFASA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]C1(CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCOCC1 ZINC001330009915 886325489 /nfs/dbraw/zinc/32/54/89/886325489.db2.gz TYLSOGYVQCSHDO-PHIMTYICSA-N 2 0 268.361 -0.645 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001330518404 886466640 /nfs/dbraw/zinc/46/66/40/886466640.db2.gz AAWQCQLVEDHFLL-SRVKXCTJSA-N 2 0 284.404 -0.301 20 0 CBADRP CN(CCCCCC[NH3+])C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001330621605 886507208 /nfs/dbraw/zinc/50/72/08/886507208.db2.gz LNQRJOHRKFEVGG-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)c1cn(C2CC[NH2+]CC2)nn1 ZINC001330624935 886508561 /nfs/dbraw/zinc/50/85/61/886508561.db2.gz ISYHVELKSSNWMT-SECBINFHSA-N 2 0 264.333 -0.706 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001330859503 886597034 /nfs/dbraw/zinc/59/70/34/886597034.db2.gz GNESQYYDPRDDRK-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001331474640 886816520 /nfs/dbraw/zinc/81/65/20/886816520.db2.gz JPBYECPCNNGWSH-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC001331514736 886828431 /nfs/dbraw/zinc/82/84/31/886828431.db2.gz XBYZLYLXDFPZLW-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001331967769 887069170 /nfs/dbraw/zinc/06/91/70/887069170.db2.gz CCEZVRLFAITONJ-SDDRHHMPSA-N 2 0 255.362 -0.097 20 0 CBADRP [NH3+][C@H](CC(F)F)CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001331979941 887074879 /nfs/dbraw/zinc/07/48/79/887074879.db2.gz FLMMRVCXHFLJNI-GHMZBOCLSA-N 2 0 262.348 -0.052 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001332289204 887187392 /nfs/dbraw/zinc/18/73/92/887187392.db2.gz XVJGVUXKNSXLNV-XYPYZODXSA-N 2 0 270.377 -0.702 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@H](O)Cn1cccn1 ZINC001332335304 887210475 /nfs/dbraw/zinc/21/04/75/887210475.db2.gz TYAIZKJCTHHFNM-ZDUSSCGKSA-N 2 0 267.377 -0.919 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCC([NH3+])CC2)C1 ZINC001332339104 887210900 /nfs/dbraw/zinc/21/09/00/887210900.db2.gz KFULJFWGFSWVNY-LLVKDONJSA-N 3 0 254.378 -0.393 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC001332449587 887287742 /nfs/dbraw/zinc/28/77/42/887287742.db2.gz JEDZTHHBGWVVEY-MNOVXSKESA-N 2 0 253.346 -0.168 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001332975769 887492298 /nfs/dbraw/zinc/49/22/98/887492298.db2.gz KVASJLOYNIZKTM-VVVCHXIZSA-N 2 0 261.391 -0.789 20 0 CBADRP [NH3+]CCOCC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001333353896 887607874 /nfs/dbraw/zinc/60/78/74/887607874.db2.gz DXGOZYWVPWNWPS-CYBMUJFWSA-N 2 0 285.388 -0.421 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001333438443 887639441 /nfs/dbraw/zinc/63/94/41/887639441.db2.gz IRJWVCMBFWTHRT-GRYCIOLGSA-N 2 0 282.388 -0.608 20 0 CBADRP C[NH2+]CCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001333532325 887675991 /nfs/dbraw/zinc/67/59/91/887675991.db2.gz OWQUQMOVLZZCQG-LBPRGKRZSA-N 2 0 270.377 -0.242 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001333602954 887712581 /nfs/dbraw/zinc/71/25/81/887712581.db2.gz VENWFKKEKRNSRU-OOTJXSFTSA-N 2 0 250.346 -0.212 20 0 CBADRP C[NH+](C)[C@@H]1C[C@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC001333656320 887737248 /nfs/dbraw/zinc/73/72/48/887737248.db2.gz OCJBIZYHUQMCDR-ZNMIVQPWSA-N 3 0 284.448 -0.476 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001335264927 888476821 /nfs/dbraw/zinc/47/68/21/888476821.db2.gz OUXHNVPXBYOTOV-NWDGAFQWSA-N 2 0 282.388 -0.748 20 0 CBADRP C[C@@H]([NH3+])C1CCN(C(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001335306958 888492395 /nfs/dbraw/zinc/49/23/95/888492395.db2.gz ADWULZBHKTXSTH-CBZQXFMTSA-N 2 0 255.362 -0.328 20 0 CBADRP O[C@@H](C[NH2+]CC[C@@]1(O)CCCOC1)C[NH+]1CCCC1 ZINC001335431039 888532865 /nfs/dbraw/zinc/53/28/65/888532865.db2.gz MSZMUEJTYICRNS-KBPBESRZSA-N 2 0 272.389 -0.036 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)NCC1([NH3+])CCC1 ZINC001335551152 888564387 /nfs/dbraw/zinc/56/43/87/888564387.db2.gz JAJBRYFCQICBQJ-JTQLQIEISA-N 2 0 256.350 -0.502 20 0 CBADRP CC[NH+]1CCN([C@@H](C)C[NH2+]CCC(=O)NC(N)=O)CC1 ZINC001336732963 888857986 /nfs/dbraw/zinc/85/79/86/888857986.db2.gz IXURHOQJOVDCBV-NSHDSACASA-N 2 0 285.392 -0.813 20 0 CBADRP CC[NH+]1CCC(NC(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001336743392 888866219 /nfs/dbraw/zinc/86/62/19/888866219.db2.gz BASGTPHZBKOLNA-UHFFFAOYSA-N 2 0 283.420 -0.325 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001336919969 888923084 /nfs/dbraw/zinc/92/30/84/888923084.db2.gz CAIHXKKIEQYPSZ-NWDGAFQWSA-N 2 0 270.377 -0.527 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001338370010 889148834 /nfs/dbraw/zinc/14/88/34/889148834.db2.gz WKLDLWKEEGAQPF-GVXVVHGQSA-N 2 0 255.362 -0.443 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001338370008 889148914 /nfs/dbraw/zinc/14/89/14/889148914.db2.gz WKLDLWKEEGAQPF-DMDPSCGWSA-N 2 0 255.362 -0.443 20 0 CBADRP [NH3+]C1(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001338518345 889170848 /nfs/dbraw/zinc/17/08/48/889170848.db2.gz ALBWGHXTLKSANK-WDEREUQCSA-N 2 0 268.361 -0.360 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N1CCC[C@]12CC[NH2+]C2 ZINC001338660182 889190063 /nfs/dbraw/zinc/19/00/63/889190063.db2.gz MMVGWNFRCXQMJV-WCQYABFASA-N 2 0 268.361 -0.488 20 0 CBADRP [NH3+]CC1(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC(O)C1 ZINC001340044258 889369853 /nfs/dbraw/zinc/36/98/53/889369853.db2.gz ISSFAEBOHDTKTJ-BEVNXUHPSA-N 2 0 267.373 -0.171 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001340298713 889419055 /nfs/dbraw/zinc/41/90/55/889419055.db2.gz XAEBDXXMLJWTKQ-JSGCOSHPSA-N 2 0 266.389 -0.508 20 0 CBADRP C[NH+](C)C1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC001340295448 889419836 /nfs/dbraw/zinc/41/98/36/889419836.db2.gz CRPCCHDUIQFYHF-LBPRGKRZSA-N 2 0 266.389 -0.413 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N(C)C1CCC([NH3+])CC1 ZINC001340482977 889440100 /nfs/dbraw/zinc/44/01/00/889440100.db2.gz FDPAWKCGCRJYAH-WNYYMSAVSA-N 2 0 257.378 -0.069 20 0 CBADRP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001340788128 889487125 /nfs/dbraw/zinc/48/71/25/889487125.db2.gz WXDOWFLRBWZQAR-ZJUUUORDSA-N 2 0 269.370 -0.128 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC001340942967 889520190 /nfs/dbraw/zinc/52/01/90/889520190.db2.gz GKWCLFYYIYWTOJ-MNOVXSKESA-N 2 0 254.378 -0.606 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001341096994 889541400 /nfs/dbraw/zinc/54/14/00/889541400.db2.gz JTGZJUHLMVUJEH-BJDJZHNGSA-N 2 0 257.378 -0.354 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001341116750 889544783 /nfs/dbraw/zinc/54/47/83/889544783.db2.gz SFJJVWATQPDGQW-AAEUAGOBSA-N 2 0 257.378 -0.067 20 0 CBADRP C[C@@H](C(=O)N1CCC2(CC1)C[NH2+]CCO2)[C@H](C)[NH3+] ZINC001341206704 889557384 /nfs/dbraw/zinc/55/73/84/889557384.db2.gz RVZLXXAXCMGZRA-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP O=C([C@@H]1CC12CC[NH2+]CC2)N1CCNCC[NH2+]CC1 ZINC001341224138 889559173 /nfs/dbraw/zinc/55/91/73/889559173.db2.gz XQXVEBBLQBZRMP-LBPRGKRZSA-N 2 0 266.389 -0.603 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001341370005 889582751 /nfs/dbraw/zinc/58/27/51/889582751.db2.gz UZEYUCLMTXVTQY-QWRGUYRKSA-N 2 0 255.362 -0.132 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001341487008 889606822 /nfs/dbraw/zinc/60/68/22/889606822.db2.gz CRZBUEKEHRYZSK-GARJFASQSA-N 2 0 268.361 -0.950 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC001341514155 889611110 /nfs/dbraw/zinc/61/11/10/889611110.db2.gz GQQCQXIUFBNHIY-OUCADQQQSA-N 2 0 267.373 -0.177 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC001341514557 889612912 /nfs/dbraw/zinc/61/29/12/889612912.db2.gz HVGYQPQXMBMBBU-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001341572409 889625090 /nfs/dbraw/zinc/62/50/90/889625090.db2.gz DSAHRXQQOSBDIC-NDBYEHHHSA-N 2 0 267.373 -0.321 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC001341627073 889633686 /nfs/dbraw/zinc/63/36/86/889633686.db2.gz LJJBVBDILXGSSD-CHWSQXEVSA-N 2 0 268.405 -0.275 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])CO)c1ccccc1 ZINC001341631724 889637942 /nfs/dbraw/zinc/63/79/42/889637942.db2.gz OREAHPMBABRHEG-VXGBXAGGSA-N 2 0 251.330 -0.275 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC001341641012 889638130 /nfs/dbraw/zinc/63/81/30/889638130.db2.gz VIWNHXWLHPJAQE-UWVGGRQHSA-N 2 0 277.315 -0.322 20 0 CBADRP [NH3+]CC1(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC(O)C1 ZINC001341687089 889649575 /nfs/dbraw/zinc/64/95/75/889649575.db2.gz POXAEKKWFSGJLY-URAGZPLESA-N 2 0 253.346 -0.703 20 0 CBADRP C[C@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC[NH2+]1 ZINC001341764573 889661401 /nfs/dbraw/zinc/66/14/01/889661401.db2.gz INEOSWXDIPMXHN-SDDRHHMPSA-N 2 0 252.362 -0.805 20 0 CBADRP C[C@]1(C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)C[C@@H](O)C[NH2+]1 ZINC001341808404 889665135 /nfs/dbraw/zinc/66/51/35/889665135.db2.gz LFEKHDMFCWDDGR-HBJVGIJOSA-N 2 0 267.373 -0.252 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001341963856 889689303 /nfs/dbraw/zinc/68/93/03/889689303.db2.gz FVSXAYGEPLXEIS-NSHDSACASA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)CC[NH+](C)C ZINC001443771188 912275012 /nfs/dbraw/zinc/27/50/12/912275012.db2.gz WWAIVSIAOVFNQE-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)CCNC(=O)[C@H]([NH3+])C(C)C ZINC001342175115 889725145 /nfs/dbraw/zinc/72/51/45/889725145.db2.gz CQVZSIZAUJWUTL-GXSJLCMTSA-N 2 0 258.366 -0.800 20 0 CBADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001342350080 889759660 /nfs/dbraw/zinc/75/96/60/889759660.db2.gz RDRLGEMOVAZGLT-GFQSEFKGSA-N 2 0 267.373 -0.206 20 0 CBADRP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H]1CCN(C)C1=O ZINC001443985857 912322569 /nfs/dbraw/zinc/32/25/69/912322569.db2.gz OFWBWTKWMHMRPD-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]C[C@@H]2CO)C1 ZINC001342441116 889775996 /nfs/dbraw/zinc/77/59/96/889775996.db2.gz ULXAIZSMKUBBIA-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H]1CCN(C)C1=O ZINC001443985853 912325755 /nfs/dbraw/zinc/32/57/55/912325755.db2.gz OFWBWTKWMHMRPD-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001342696027 889818902 /nfs/dbraw/zinc/81/89/02/889818902.db2.gz LFZABOOUMGOPJR-AVGNSLFASA-N 2 0 269.389 -0.101 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC001343039472 889857352 /nfs/dbraw/zinc/85/73/52/889857352.db2.gz XVECZNUSBPYOQA-NXEZZACHSA-N 2 0 257.334 -0.617 20 0 CBADRP CCCN(C(=O)[C@H](C)[C@@H](O)C[NH2+]C)[C@@H]1CC[NH2+]C1 ZINC001343039183 889858017 /nfs/dbraw/zinc/85/80/17/889858017.db2.gz WOGKRACCQNYSRW-UTUOFQBUSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)[C@H]2[NH2+]CC23CCOCC3)C1 ZINC001343099832 889869313 /nfs/dbraw/zinc/86/93/13/889869313.db2.gz QCQJPFSCVFYHPR-DGCLKSJQSA-N 2 0 267.373 -0.048 20 0 CBADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC001343099829 889869408 /nfs/dbraw/zinc/86/94/08/889869408.db2.gz QCQJPFSCVFYHPR-AAEUAGOBSA-N 2 0 267.373 -0.048 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001343421163 889907338 /nfs/dbraw/zinc/90/73/38/889907338.db2.gz NOSUVIBDMSFMQS-WZRBSPASSA-N 2 0 255.362 -0.348 20 0 CBADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001444249325 912399454 /nfs/dbraw/zinc/39/94/54/912399454.db2.gz ZNSIKIUZHNTMTD-QJPTWQEYSA-N 2 0 282.388 -0.465 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001343466520 889915743 /nfs/dbraw/zinc/91/57/43/889915743.db2.gz HEITXHQCKPQNKB-NTZNESFSSA-N 2 0 255.362 -0.585 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2C[C@H]([NH3+])C2)CC1=O ZINC001343697216 889950561 /nfs/dbraw/zinc/95/05/61/889950561.db2.gz HRKIQHQCPQNGKW-DCAQKATOSA-N 2 0 268.361 -0.998 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC)CC[N@@H+]1C ZINC001444315351 912423051 /nfs/dbraw/zinc/42/30/51/912423051.db2.gz YOTRBHCQCVTHJM-RWMBFGLXSA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ncnn1C ZINC001444374232 912436319 /nfs/dbraw/zinc/43/63/19/912436319.db2.gz CHNPZTCDJXKAHB-LLVKDONJSA-N 2 0 282.392 -0.391 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1ncnn1C ZINC001444427327 912447571 /nfs/dbraw/zinc/44/75/71/912447571.db2.gz AYRVVSNBNZPTJH-GFCCVEGCSA-N 2 0 296.419 -0.003 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001344504670 890032151 /nfs/dbraw/zinc/03/21/51/890032151.db2.gz HUROBEAVRCJPCB-GIPNMCIBSA-N 2 0 269.345 -0.332 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001444602117 912477642 /nfs/dbraw/zinc/47/76/42/912477642.db2.gz ZPYDSBPFUYDYQK-YNEHKIRRSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001444626733 912481645 /nfs/dbraw/zinc/48/16/45/912481645.db2.gz XXYMMBOLEXYZEU-NWDGAFQWSA-N 2 0 286.420 -0.149 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001444627958 912482112 /nfs/dbraw/zinc/48/21/12/912482112.db2.gz HZBUZAOIRSFVDU-NEPJUHHUSA-N 2 0 296.415 -0.075 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC001344709246 890054606 /nfs/dbraw/zinc/05/46/06/890054606.db2.gz XLGUTSLWAUBBST-TZMCWYRMSA-N 2 0 266.389 -0.475 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001444701238 912495043 /nfs/dbraw/zinc/49/50/43/912495043.db2.gz YLFVSUOJHJZJLK-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001444736753 912498638 /nfs/dbraw/zinc/49/86/38/912498638.db2.gz WQCDCJIOWRNKFP-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC(N)=O ZINC001444796056 912504211 /nfs/dbraw/zinc/50/42/11/912504211.db2.gz ZEEBXQDXGGQHRE-WDEREUQCSA-N 2 0 270.377 -0.750 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC001345186365 890111469 /nfs/dbraw/zinc/11/14/69/890111469.db2.gz NUALURXEJTWZJT-MNOVXSKESA-N 2 0 284.404 -0.301 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001444873930 912513932 /nfs/dbraw/zinc/51/39/32/912513932.db2.gz OVLYJGZKQZKOIN-CYBMUJFWSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH2+][C@@H]1CCN(C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001345944733 890185973 /nfs/dbraw/zinc/18/59/73/890185973.db2.gz VDEHKEYTXSFFJP-VXGBXAGGSA-N 2 0 254.378 -0.523 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001445112732 912562841 /nfs/dbraw/zinc/56/28/41/912562841.db2.gz NZPDPUBPPAQNJI-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3CCO[C@H]3C[NH3+])[C@H]2C1 ZINC001346386011 890281604 /nfs/dbraw/zinc/28/16/04/890281604.db2.gz YXXKEWVMSBNVFB-PPCPHDFISA-N 2 0 267.373 -0.193 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@H](O)C[NH2+]C[C@@H]2CCOC2)CC1 ZINC001445227922 912607640 /nfs/dbraw/zinc/60/76/40/912607640.db2.gz FMHZLPDMLKBZSS-QWHCGFSZSA-N 2 0 299.415 -0.569 20 0 CBADRP Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001445268560 912621997 /nfs/dbraw/zinc/62/19/97/912621997.db2.gz JFKBJTBNWXAHJT-RYUDHWBXSA-N 2 0 296.371 -0.499 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001445332749 912636854 /nfs/dbraw/zinc/63/68/54/912636854.db2.gz YQINNISRVVIZIM-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)C[N@H+](C)C(C)C ZINC001445335772 912638302 /nfs/dbraw/zinc/63/83/02/912638302.db2.gz UZAUWSXDCYOYQX-LBPRGKRZSA-N 2 0 286.420 -0.101 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001445362801 912646438 /nfs/dbraw/zinc/64/64/38/912646438.db2.gz LFGOXIFDINLAMO-IJLUTSLNSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001445358118 912647992 /nfs/dbraw/zinc/64/79/92/912647992.db2.gz YCAKNXVZJKVXBR-DGCLKSJQSA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001445437550 912665928 /nfs/dbraw/zinc/66/59/28/912665928.db2.gz NSPRRTDRZTUYRP-GFCCVEGCSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](C[NH2+]C[C@H](C)O)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001445455717 912671540 /nfs/dbraw/zinc/67/15/40/912671540.db2.gz NELTWRRLAFIXIB-NEPJUHHUSA-N 2 0 297.403 -0.467 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001445482136 912675837 /nfs/dbraw/zinc/67/58/37/912675837.db2.gz PHQDHUGZIWMIBM-NEPJUHHUSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001445599301 912708478 /nfs/dbraw/zinc/70/84/78/912708478.db2.gz MLYZJXHCNHUVAS-YFKTTZPYSA-N 2 0 284.404 -0.315 20 0 CBADRP C[C@H](C[N@H+](C)CCn1cncn1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001445869149 912774669 /nfs/dbraw/zinc/77/46/69/912774669.db2.gz MNUHWHFRNRWHMM-OLZOCXBDSA-N 2 0 294.403 -0.334 20 0 CBADRP CN(C)C(=O)C[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001446225149 912841305 /nfs/dbraw/zinc/84/13/05/912841305.db2.gz CTOMAUFNQQAQDJ-UHFFFAOYSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1)[NH+]1CCCCCC1 ZINC001020674328 884613123 /nfs/dbraw/zinc/61/31/23/884613123.db2.gz WFMXQSRGYSVKIU-AVGNSLFASA-N 2 0 296.415 -0.027 20 0 CBADRP C[NH+](C)CCCC(=O)NCC1([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001446231666 912844958 /nfs/dbraw/zinc/84/49/58/912844958.db2.gz YDHGAXLZHUUUIT-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]CC(=O)N(C)C)CC2)C1 ZINC001446250054 912847333 /nfs/dbraw/zinc/84/73/33/912847333.db2.gz OFBXGAGLZOMDSI-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP Cc1nc(C)n(CC[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001152426425 884675996 /nfs/dbraw/zinc/67/59/96/884675996.db2.gz HOBXLEGRRBIGCR-UHFFFAOYSA-N 2 0 296.419 -0.059 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001446265331 912852069 /nfs/dbraw/zinc/85/20/69/912852069.db2.gz HSWRLBDARPOQTJ-LLVKDONJSA-N 2 0 282.388 -0.687 20 0 CBADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1)C(N)=O ZINC001188158544 884721296 /nfs/dbraw/zinc/72/12/96/884721296.db2.gz SNDLVJQGMIDWND-VXGBXAGGSA-N 2 0 284.404 -0.219 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001188158342 884721953 /nfs/dbraw/zinc/72/19/53/884721953.db2.gz LLSJEPZSXQCXSK-VXGBXAGGSA-N 2 0 257.378 -0.102 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188145701 884722276 /nfs/dbraw/zinc/72/22/76/884722276.db2.gz KLWZSFMXPYCZCE-LLVKDONJSA-N 2 0 270.377 -0.737 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC001203455720 884749503 /nfs/dbraw/zinc/74/95/03/884749503.db2.gz KNZFJWOTPWANEP-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001203455572 884749627 /nfs/dbraw/zinc/74/96/27/884749627.db2.gz GHQGVNUTBUDWBG-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206464677 884758185 /nfs/dbraw/zinc/75/81/85/884758185.db2.gz RYXMOTMOGMDULP-PKFCDNJMSA-N 2 0 293.367 -0.643 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001210811946 884765534 /nfs/dbraw/zinc/76/55/34/884765534.db2.gz RYRRIJYNYISDIP-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001210810676 884766349 /nfs/dbraw/zinc/76/63/49/884766349.db2.gz CKOIEHINGFSTPD-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1C[C@H]1CCCC[NH2+]1 ZINC001211354847 884771346 /nfs/dbraw/zinc/77/13/46/884771346.db2.gz RJURMPWDFMKNDQ-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212430442 884776105 /nfs/dbraw/zinc/77/61/05/884776105.db2.gz NNHLXKJNVDWOIY-MGPQQGTHSA-N 2 0 299.415 -0.332 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219794089 884792219 /nfs/dbraw/zinc/79/22/19/884792219.db2.gz QIOFNTHYGCEANL-CYBMUJFWSA-N 3 0 284.404 -0.971 20 0 CBADRP C[C@H](O)C[NH2+]CCN(CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001326023026 884876318 /nfs/dbraw/zinc/87/63/18/884876318.db2.gz OWHBXWMFSQIKJQ-JSGCOSHPSA-N 2 0 299.415 -0.881 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)nn1 ZINC001326061186 884893710 /nfs/dbraw/zinc/89/37/10/884893710.db2.gz ACOUGFFJNNVXOD-NEPJUHHUSA-N 2 0 292.387 -0.159 20 0 CBADRP CN(C(=O)c1cn(CCCC[NH3+])nn1)[C@@H](C[NH3+])C1CC1 ZINC001326129389 884914554 /nfs/dbraw/zinc/91/45/54/884914554.db2.gz SZTFDIQKDQFWLB-LBPRGKRZSA-N 2 0 280.376 -0.174 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)CC[C@@H]2CC[NH2+]C2)CCCO1 ZINC001326140814 884919547 /nfs/dbraw/zinc/91/95/47/884919547.db2.gz PEFQUWHIQNGDIW-NEPJUHHUSA-N 2 0 255.362 -0.048 20 0 CBADRP COCCOC[C@@H](O)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC001326146482 884920100 /nfs/dbraw/zinc/92/01/00/884920100.db2.gz KMDSWZREAUIAHD-KGLIPLIRSA-N 2 0 289.420 -0.764 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC001326149197 884922330 /nfs/dbraw/zinc/92/23/30/884922330.db2.gz FPQUJTMSBHMAEK-IUCAKERBSA-N 2 0 254.338 -0.518 20 0 CBADRP COCCOC[C@H](O)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC001326146486 884922352 /nfs/dbraw/zinc/92/23/52/884922352.db2.gz KMDSWZREAUIAHD-ZIAGYGMSSA-N 2 0 289.420 -0.764 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC001326236276 884954700 /nfs/dbraw/zinc/95/47/00/884954700.db2.gz GJGBGRCBUVFDQW-QJPTWQEYSA-N 3 0 256.394 -0.101 20 0 CBADRP CN(C(=O)c1cn(CCC[NH3+])nn1)[C@@H]1CC[NH2+]C1 ZINC001326246363 884957056 /nfs/dbraw/zinc/95/70/56/884957056.db2.gz WDMLRYIUAJTRQV-SECBINFHSA-N 2 0 252.322 -0.939 20 0 CBADRP NC(=O)C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001326277488 884968638 /nfs/dbraw/zinc/96/86/38/884968638.db2.gz MLWMUEUMWFKIIF-NSHDSACASA-N 2 0 268.361 -0.994 20 0 CBADRP [NH3+][C@@H](C(=O)NC[C@H]1C[NH2+]CCO1)C1CCCCC1 ZINC001326292810 884972748 /nfs/dbraw/zinc/97/27/48/884972748.db2.gz LBPMGWOVISNOLV-VXGBXAGGSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]CCOc1cccc(NC(=O)CNC(=O)C[NH3+])c1 ZINC001326282178 884974204 /nfs/dbraw/zinc/97/42/04/884974204.db2.gz KPSUNMFMPRIZOA-UHFFFAOYSA-N 2 0 266.301 -0.963 20 0 CBADRP [NH3+]CCCOC1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1 ZINC001326308449 884979335 /nfs/dbraw/zinc/97/93/35/884979335.db2.gz BFTCHLYWHNUSAJ-UHFFFAOYSA-N 3 0 284.404 -0.752 20 0 CBADRP CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC001326310045 884981081 /nfs/dbraw/zinc/98/10/81/884981081.db2.gz USPVFZRJPCZYFO-ZJUUUORDSA-N 2 0 269.345 -0.652 20 0 CBADRP [NH3+]CCOCC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001326325303 884987803 /nfs/dbraw/zinc/98/78/03/884987803.db2.gz OXOLYJCEUPKZEC-GXTWGEPZSA-N 2 0 285.388 -0.293 20 0 CBADRP [NH3+]CCCCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC001326339156 884992645 /nfs/dbraw/zinc/99/26/45/884992645.db2.gz KMOKMLFQVGABAR-UHFFFAOYSA-N 2 0 265.361 -0.183 20 0 CBADRP [NH3+]C[C@H]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC001326360700 885004485 /nfs/dbraw/zinc/00/44/85/885004485.db2.gz ABCNSBGSLXHLSN-ZJUUUORDSA-N 2 0 263.345 -0.093 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC001326369131 885007987 /nfs/dbraw/zinc/00/79/87/885007987.db2.gz CHGVMGFAQRENEH-STQMWFEESA-N 2 0 268.405 -0.262 20 0 CBADRP C[NH+]1CCN(CCNC(=O)c2coc(C[NH3+])c2)CC1 ZINC001326369104 885008825 /nfs/dbraw/zinc/00/88/25/885008825.db2.gz CDJIQBAQOZPXES-UHFFFAOYSA-N 2 0 266.345 -0.285 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1 ZINC001326439066 885026222 /nfs/dbraw/zinc/02/62/22/885026222.db2.gz USKMMHYZRZWTSW-GFCCVEGCSA-N 2 0 284.404 -0.360 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCC(O)(C[NH3+])CC1)[C@H](C)[NH3+] ZINC001326452412 885033695 /nfs/dbraw/zinc/03/36/95/885033695.db2.gz HNYAYMLXAZIUML-WDEREUQCSA-N 2 0 257.378 -0.082 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001446453738 912890049 /nfs/dbraw/zinc/89/00/49/912890049.db2.gz SNJJKGVJNIKQDN-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP O=C(NCc1nc([C@H]2CCC[NH2+]2)no1)[C@H]1CCC[NH2+]1 ZINC001326487214 885045792 /nfs/dbraw/zinc/04/57/92/885045792.db2.gz SYFMBUFSJFWQIZ-RKDXNWHRSA-N 2 0 265.317 -0.138 20 0 CBADRP CC(C)[C@H]1CN(CC(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC001326583656 885075290 /nfs/dbraw/zinc/07/52/90/885075290.db2.gz KOTUSDDLJCNJFZ-GFCCVEGCSA-N 2 0 254.378 -0.652 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCCCN1CC(=O)N1CC[NH2+]CC1 ZINC001326583352 885075337 /nfs/dbraw/zinc/07/53/37/885075337.db2.gz ZHGGISLKGIMJHS-NEPJUHHUSA-N 2 0 254.378 -0.380 20 0 CBADRP CC(C)([NH3+])c1noc(CN2CCCO[C@H](C[NH3+])C2)n1 ZINC001326595033 885077735 /nfs/dbraw/zinc/07/77/35/885077735.db2.gz GHEUOEPXUYBPMR-SECBINFHSA-N 2 0 269.349 -0.187 20 0 CBADRP NC(=O)CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001326600306 885080814 /nfs/dbraw/zinc/08/08/14/885080814.db2.gz VKGLSHQUUVTLJQ-VXGBXAGGSA-N 2 0 255.362 -0.171 20 0 CBADRP Cn1ccc(CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)n1 ZINC001326597024 885081954 /nfs/dbraw/zinc/08/19/54/885081954.db2.gz RAEOBZNYDHZVFN-CQSZACIVSA-N 2 0 281.404 -0.840 20 0 CBADRP CC(C)C[NH2+]CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001326612415 885089207 /nfs/dbraw/zinc/08/92/07/885089207.db2.gz SSQVAOJMJPPBDY-CYBMUJFWSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC001326625350 885093751 /nfs/dbraw/zinc/09/37/51/885093751.db2.gz BPXJHVLQPASZCS-TUAOUCFPSA-N 2 0 256.394 -0.149 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC001326688551 885113221 /nfs/dbraw/zinc/11/32/21/885113221.db2.gz TVIXCTLUZBIOGH-QWHCGFSZSA-N 2 0 296.415 -0.310 20 0 CBADRP C[NH+]1CCC(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC001326734662 885124179 /nfs/dbraw/zinc/12/41/79/885124179.db2.gz USPWXLJEOQZIQX-LLVKDONJSA-N 2 0 268.361 -0.935 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC(=O)OC)C1 ZINC001326820278 885165145 /nfs/dbraw/zinc/16/51/45/885165145.db2.gz LJZLIPKYTHRKBX-ZJUUUORDSA-N 2 0 257.334 -0.665 20 0 CBADRP C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@H](C)[NH3+] ZINC001326858449 885176086 /nfs/dbraw/zinc/17/60/86/885176086.db2.gz KGYNFUOLGQMISE-VHSXEESVSA-N 2 0 296.375 -0.765 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)CC[C@@H]1[NH3+] ZINC001326905944 885187493 /nfs/dbraw/zinc/18/74/93/885187493.db2.gz IFNKBURSSQTDMQ-GRYCIOLGSA-N 2 0 256.394 -0.149 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H](N)CC[NH+](C)C)CC[C@H]1[NH3+] ZINC001326905946 885187918 /nfs/dbraw/zinc/18/79/18/885187918.db2.gz IFNKBURSSQTDMQ-UTUOFQBUSA-N 2 0 256.394 -0.149 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001326937824 885197165 /nfs/dbraw/zinc/19/71/65/885197165.db2.gz MVEUDJQLTHZGAW-GFCCVEGCSA-N 2 0 280.376 -0.100 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOCCCO ZINC001326950230 885200399 /nfs/dbraw/zinc/20/03/99/885200399.db2.gz YEKPBSCNSQQJQK-LBPRGKRZSA-N 2 0 272.393 -0.016 20 0 CBADRP C[NH2+][C@H](C)Cc1noc(CNC(=O)[C@@H]([NH3+])C(C)C)n1 ZINC001326979031 885210075 /nfs/dbraw/zinc/21/00/75/885210075.db2.gz QYCLQEUTVVYMHU-KCJUWKMLSA-N 2 0 269.349 -0.181 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCO[C@@H](C[NH2+]CCO)C1 ZINC001326988876 885213448 /nfs/dbraw/zinc/21/34/48/885213448.db2.gz DSRONJZLCIGGJS-KGLIPLIRSA-N 2 0 299.415 -0.330 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001327104308 885256660 /nfs/dbraw/zinc/25/66/60/885256660.db2.gz GQVYDWYLRQEYQV-GFCCVEGCSA-N 2 0 296.375 -0.864 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001446718912 912924180 /nfs/dbraw/zinc/92/41/80/912924180.db2.gz QYSFJOUQQOWIGY-UHFFFAOYSA-N 2 0 287.404 -0.426 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC001327499490 885376802 /nfs/dbraw/zinc/37/68/02/885376802.db2.gz GOYPLEJDZZGSOG-UHFFFAOYSA-N 2 0 280.372 -0.935 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001327503262 885380412 /nfs/dbraw/zinc/38/04/12/885380412.db2.gz KNSNMPBAEWHSSR-AGIUHOORSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001327579052 885413225 /nfs/dbraw/zinc/41/32/25/885413225.db2.gz MGEVMTRLQZRDIS-JQWIXIFHSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001327579350 885413513 /nfs/dbraw/zinc/41/35/13/885413513.db2.gz SIVUUOTTXINBKF-NWDGAFQWSA-N 2 0 267.373 -0.048 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCCO)C1 ZINC001327581380 885413647 /nfs/dbraw/zinc/41/36/47/885413647.db2.gz PATINACOKDLARH-UKRRQHHQSA-N 2 0 299.415 -0.594 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)c1cn(CC[NH3+])nn1 ZINC001327597274 885422862 /nfs/dbraw/zinc/42/28/62/885422862.db2.gz PSEPKCOQPVGHTK-VIFPVBQESA-N 2 0 252.322 -0.939 20 0 CBADRP [NH3+]CCCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001327682025 885451867 /nfs/dbraw/zinc/45/18/67/885451867.db2.gz ITGRXMHCYFJDRK-QWHCGFSZSA-N 2 0 296.415 -0.025 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001446758171 912941145 /nfs/dbraw/zinc/94/11/45/912941145.db2.gz NEYGQVWMQJKUNB-TZMCWYRMSA-N 2 0 299.415 -0.596 20 0 CBADRP CN(CCC[NH3+])C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC001327862207 885505698 /nfs/dbraw/zinc/50/56/98/885505698.db2.gz BBCSNHFFMVDGCP-VIFPVBQESA-N 2 0 251.334 -0.093 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001327929835 885530869 /nfs/dbraw/zinc/53/08/69/885530869.db2.gz VSKKDTFBYPDVNE-YFKTTZPYSA-N 2 0 253.346 -0.439 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@@H]2CCC[NH2+]CC2)nn1 ZINC001328258691 885615238 /nfs/dbraw/zinc/61/52/38/885615238.db2.gz VQUFOZRKGAENGJ-SNVBAGLBSA-N 2 0 266.349 -0.501 20 0 CBADRP CCN(C(=O)C(=O)N(C)CC1C[NH+](C)C1)[C@H]1CC[N@H+](C)C1 ZINC001328282756 885620258 /nfs/dbraw/zinc/62/02/58/885620258.db2.gz PVHXDDGRKHGVNG-ZDUSSCGKSA-N 2 0 296.415 -0.441 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(F)F)CCCO1 ZINC001328340303 885642798 /nfs/dbraw/zinc/64/27/98/885642798.db2.gz RRDPJNDXACDVFU-SFYZADRCSA-N 2 0 251.277 -0.455 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC001328370226 885659639 /nfs/dbraw/zinc/65/96/39/885659639.db2.gz MHKDWSNWPTUKCJ-SDDRHHMPSA-N 2 0 282.388 -0.737 20 0 CBADRP C[NH2+][C@H](C)Cc1noc(CNC(=O)[C@H]2CCC[NH2+]2)n1 ZINC001328387870 885665388 /nfs/dbraw/zinc/66/53/88/885665388.db2.gz OITOTUQXMKFZPB-RKDXNWHRSA-N 2 0 267.333 -0.412 20 0 CBADRP CN(C)C(=O)[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001328398344 885667920 /nfs/dbraw/zinc/66/79/20/885667920.db2.gz JICRYUGOCFHOIS-RYUDHWBXSA-N 2 0 254.378 -0.652 20 0 CBADRP [NH3+]C[C@H]1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC001328435767 885684187 /nfs/dbraw/zinc/68/41/87/885684187.db2.gz DALUNHIABXBLAL-NXEZZACHSA-N 2 0 263.345 -0.093 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001328454347 885693820 /nfs/dbraw/zinc/69/38/20/885693820.db2.gz HCHSJHFVCGPMQS-CHWSQXEVSA-N 2 0 285.388 -0.423 20 0 CBADRP CC[NH2+]CC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001328523833 885715713 /nfs/dbraw/zinc/71/57/13/885715713.db2.gz GGGUKQDRXHDPBQ-LLVKDONJSA-N 2 0 266.349 -0.490 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC001328594727 885738273 /nfs/dbraw/zinc/73/82/73/885738273.db2.gz YXGAJOZSUPXZTE-SRVKXCTJSA-N 2 0 255.362 -0.036 20 0 CBADRP CCN1CC[NH+](CCCCNC(=O)[C@H](C)[NH3+])CC1 ZINC001328594488 885739635 /nfs/dbraw/zinc/73/96/35/885739635.db2.gz WJGINCFUQPEGEX-LBPRGKRZSA-N 2 0 256.394 -0.133 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001328773728 885808667 /nfs/dbraw/zinc/80/86/67/885808667.db2.gz XAJINDRGHDJKPH-QWHCGFSZSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001328839323 885825262 /nfs/dbraw/zinc/82/52/62/885825262.db2.gz AZFUGODCCZKCET-WCQYABFASA-N 2 0 254.378 -0.523 20 0 CBADRP [NH3+][C@]12CCC[C@H]1CN(CC(=O)N1CC[NH2+]CC1)C2 ZINC001328944261 885852488 /nfs/dbraw/zinc/85/24/88/885852488.db2.gz PFNOKFCEUNGZQP-AAEUAGOBSA-N 2 0 252.362 -0.769 20 0 CBADRP [NH3+][C@@]12CCC[C@@H]1CN(CC(=O)N1CC[NH2+]CC1)C2 ZINC001328944262 885854480 /nfs/dbraw/zinc/85/44/80/885854480.db2.gz PFNOKFCEUNGZQP-DGCLKSJQSA-N 2 0 252.362 -0.769 20 0 CBADRP C[C@H]([NH2+]CCO)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001446937358 912983203 /nfs/dbraw/zinc/98/32/03/912983203.db2.gz CSDFJSUNDOSEAH-QWHCGFSZSA-N 2 0 281.400 -0.099 20 0 CBADRP CN(CCC[NH3+])S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC001329316465 886010541 /nfs/dbraw/zinc/01/05/41/886010541.db2.gz MZEUKQKHCVWGNQ-UHFFFAOYSA-N 2 0 264.395 -0.804 20 0 CBADRP O=C(CN1CCC[C@H]2C[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC001329317510 886014657 /nfs/dbraw/zinc/01/46/57/886014657.db2.gz ZTIRASILTNSJES-STQMWFEESA-N 2 0 266.389 -0.508 20 0 CBADRP Cc1c(C(=O)NC[C@H](C)[NH3+])nnn1C1CC[NH2+]CC1 ZINC001329328835 886022326 /nfs/dbraw/zinc/02/23/26/886022326.db2.gz GZQPCJFWLNHDQD-QMMMGPOBSA-N 2 0 266.349 -0.412 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)nn1 ZINC001329367896 886034076 /nfs/dbraw/zinc/03/40/76/886034076.db2.gz DLXRINVTEDKPIU-MNOVXSKESA-N 2 0 280.376 -0.126 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001447025811 913000009 /nfs/dbraw/zinc/00/00/09/913000009.db2.gz AJMVXLQRUZQTSL-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)C2(OC)CC[NH2+]CC2)C1 ZINC001329483626 886089925 /nfs/dbraw/zinc/08/99/25/886089925.db2.gz MJBCGUBINDQDFX-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H]1CN(CCN2CCN([C@@H]3CC[NH2+]C3)CC2)CCO1 ZINC001329500228 886096467 /nfs/dbraw/zinc/09/64/67/886096467.db2.gz ZWOLLBXXGHGYBJ-HUUCEWRRSA-N 2 0 282.432 -0.313 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3CC[NH2+]3)C2)nn1 ZINC001329497928 886096976 /nfs/dbraw/zinc/09/69/76/886096976.db2.gz AHEJXADFCOMUIJ-WDEREUQCSA-N 2 0 264.333 -0.738 20 0 CBADRP [NH3+]CCN1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001329499011 886097017 /nfs/dbraw/zinc/09/70/17/886097017.db2.gz LJDGWALLHMHEJG-NWDGAFQWSA-N 2 0 267.377 -0.835 20 0 CBADRP C[C@@H]1C[C@@H](C)N(CC(=O)N2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC001329498724 886097298 /nfs/dbraw/zinc/09/72/98/886097298.db2.gz HYQOTOMRIHKKEM-UPJWGTAASA-N 3 0 268.405 -0.277 20 0 CBADRP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CCN1C ZINC001329504411 886101142 /nfs/dbraw/zinc/10/11/42/886101142.db2.gz IHSKCZDKVUFGEN-YNEHKIRRSA-N 2 0 296.415 -0.267 20 0 CBADRP COC1(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC[NH2+]CC1 ZINC001329521856 886106816 /nfs/dbraw/zinc/10/68/16/886106816.db2.gz RQEGJMSXAAQZCG-NEPJUHHUSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)CCO ZINC001329533841 886112547 /nfs/dbraw/zinc/11/25/47/886112547.db2.gz ZMGYLQWRHCCVJA-NSHDSACASA-N 2 0 257.378 -0.243 20 0 CBADRP [NH3+]CCOCC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001329562179 886121483 /nfs/dbraw/zinc/12/14/83/886121483.db2.gz RRYBIUJORVYWFL-GFCCVEGCSA-N 2 0 271.361 -0.858 20 0 CBADRP [NH3+]CCOCC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001329562182 886121514 /nfs/dbraw/zinc/12/15/14/886121514.db2.gz RRYBIUJORVYWFL-LBPRGKRZSA-N 2 0 271.361 -0.858 20 0 CBADRP COCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001447049807 913009446 /nfs/dbraw/zinc/00/94/46/913009446.db2.gz YQQUNZUICYZRQS-HIFRSBDPSA-N 2 0 299.415 -0.472 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)C[NH3+] ZINC001329569940 886126858 /nfs/dbraw/zinc/12/68/58/886126858.db2.gz PUGMGCCYLMLIEU-UWVGGRQHSA-N 2 0 256.350 -0.950 20 0 CBADRP CC[NH2+]CC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001329569922 886128777 /nfs/dbraw/zinc/12/87/77/886128777.db2.gz PTKGABPWDKMYLA-UHFFFAOYSA-N 2 0 256.394 -0.260 20 0 CBADRP COC[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001447061045 913016906 /nfs/dbraw/zinc/01/69/06/913016906.db2.gz VWYMDJTXPGIUKM-OLZOCXBDSA-N 2 0 287.404 -0.617 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001329822218 886226914 /nfs/dbraw/zinc/22/69/14/886226914.db2.gz MSUQQFCZRPQKJT-NSHDSACASA-N 2 0 280.372 -0.793 20 0 CBADRP O=C([C@H]1CCC[NH2+]CC1)N1CCOC2(C[NH2+]C2)C1 ZINC001329966042 886306102 /nfs/dbraw/zinc/30/61/02/886306102.db2.gz YACQFSCDVAOFOF-NSHDSACASA-N 2 0 253.346 -0.423 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001447165853 913030492 /nfs/dbraw/zinc/03/04/92/913030492.db2.gz RYBWAOTUJDGOCL-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)NC1(C[NH3+])CCOCC1 ZINC001330004587 886319130 /nfs/dbraw/zinc/31/91/30/886319130.db2.gz SJNHIQRPSSJIRM-JTQLQIEISA-N 2 0 258.366 -0.209 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001330024310 886331434 /nfs/dbraw/zinc/33/14/34/886331434.db2.gz PAHRZSDSFFWSOI-UTUOFQBUSA-N 2 0 280.372 -0.793 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC001330578169 886487607 /nfs/dbraw/zinc/48/76/07/886487607.db2.gz LQTQQNGQQLLGOL-PWSUYJOCSA-N 2 0 259.350 -0.894 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001330600776 886496345 /nfs/dbraw/zinc/49/63/45/886496345.db2.gz AJTLJKIIUTYMFQ-SNVBAGLBSA-N 2 0 263.345 -0.107 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)c1cnc(C[NH3+])nc1 ZINC001330611234 886501322 /nfs/dbraw/zinc/50/13/22/886501322.db2.gz YQQGVLWOUKMZRP-UHFFFAOYSA-N 2 0 251.334 -0.008 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001330608788 886502644 /nfs/dbraw/zinc/50/26/44/886502644.db2.gz ULWRPSPFJGLXIX-ZJUUUORDSA-N 2 0 264.333 -0.706 20 0 CBADRP C[C@@H](NC(=O)C1([S@@](C)=O)CC[NH2+]CC1)[C@H](C)[NH3+] ZINC001330615356 886504645 /nfs/dbraw/zinc/50/46/45/886504645.db2.gz OHNYCLBWHJKQGL-MRAOVIAESA-N 2 0 261.391 -0.661 20 0 CBADRP C[C@@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)C1CC[NH2+]CC1 ZINC001330619386 886505700 /nfs/dbraw/zinc/50/57/00/886505700.db2.gz NRNRHQSTBHIEHU-PSASIEDQSA-N 2 0 254.334 -0.406 20 0 CBADRP C[C@@H](NC(=O)C1=NO[C@H](C[NH3+])C1)C1CC[NH2+]CC1 ZINC001330619387 886506200 /nfs/dbraw/zinc/50/62/00/886506200.db2.gz NRNRHQSTBHIEHU-SCZZXKLOSA-N 2 0 254.334 -0.406 20 0 CBADRP [NH3+]CC1(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)CCOCC1 ZINC001330624662 886507577 /nfs/dbraw/zinc/50/75/77/886507577.db2.gz FDOZNEISMXRKEB-PWSUYJOCSA-N 2 0 253.346 -0.390 20 0 CBADRP [NH3+]CC1(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CCOCC1 ZINC001330624661 886508914 /nfs/dbraw/zinc/50/89/14/886508914.db2.gz FDOZNEISMXRKEB-JQWIXIFHSA-N 2 0 253.346 -0.390 20 0 CBADRP CC1(C)CC[C@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)[NH2+]C1 ZINC001330625762 886509154 /nfs/dbraw/zinc/50/91/54/886509154.db2.gz UEOIUCUQPXMLFO-ZJUUUORDSA-N 2 0 268.361 -0.016 20 0 CBADRP [NH3+]CC1(NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CCOCC1 ZINC001330626011 886509288 /nfs/dbraw/zinc/50/92/88/886509288.db2.gz VQPFIHRCIAANTB-NXEZZACHSA-N 2 0 259.325 -0.442 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001330861743 886601921 /nfs/dbraw/zinc/60/19/21/886601921.db2.gz ZTDOVJKPVJUOIC-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001330871186 886608081 /nfs/dbraw/zinc/60/80/81/886608081.db2.gz PQGWMGRBRQOEKK-XQQFMLRXSA-N 2 0 296.415 -0.075 20 0 CBADRP COCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001330885415 886614407 /nfs/dbraw/zinc/61/44/07/886614407.db2.gz BXGGFTHGMIUQAS-USZNOCQGSA-N 2 0 255.362 -0.003 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001331016653 886646766 /nfs/dbraw/zinc/64/67/66/886646766.db2.gz HWLCLPFVJBWJQX-ZDUSSCGKSA-N 2 0 268.361 -0.947 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001331016636 886647238 /nfs/dbraw/zinc/64/72/38/886647238.db2.gz HWLCLPFVJBWJQX-CYBMUJFWSA-N 2 0 268.361 -0.947 20 0 CBADRP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)CC[C@H]1O ZINC001331108850 886674902 /nfs/dbraw/zinc/67/49/02/886674902.db2.gz GSJVPARDRUCTTE-DGCLKSJQSA-N 2 0 269.389 -0.101 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331131205 886686213 /nfs/dbraw/zinc/68/62/13/886686213.db2.gz LQNJYZRSIVKEQY-AVGNSLFASA-N 2 0 296.415 -0.312 20 0 CBADRP C[NH+](C)CCONC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC001331183222 886717538 /nfs/dbraw/zinc/71/75/38/886717538.db2.gz CJMRQZIXIXXOIV-LLVKDONJSA-N 2 0 286.376 -0.994 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001331196138 886723025 /nfs/dbraw/zinc/72/30/25/886723025.db2.gz KFHZRBBBTDEHTA-HAQNSBGRSA-N 2 0 282.388 -0.606 20 0 CBADRP [NH3+][C@@H]1CCCN(Cc2cn(CC3C[NH2+]C3)nn2)C1 ZINC001331267134 886757184 /nfs/dbraw/zinc/75/71/84/886757184.db2.gz ICLCJHRAGFBDOU-LLVKDONJSA-N 2 0 250.350 -0.579 20 0 CBADRP CC[NH2+]CC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001331343968 886779322 /nfs/dbraw/zinc/77/93/22/886779322.db2.gz DCQZEHDCPARESK-UHFFFAOYSA-N 2 0 264.333 -0.566 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NCCN2CC[NH2+]CC2)C1 ZINC001331395610 886792588 /nfs/dbraw/zinc/79/25/88/886792588.db2.gz IHXNSXYUPGKXIP-NEPJUHHUSA-N 2 0 269.393 -0.539 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331413413 886796546 /nfs/dbraw/zinc/79/65/46/886796546.db2.gz POCMEGZNWZNXIM-CKYFFXLPSA-N 2 0 256.350 -0.911 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001331421958 886799065 /nfs/dbraw/zinc/79/90/65/886799065.db2.gz OCNKIBYVTUFELN-HIFRSBDPSA-N 2 0 295.431 -0.135 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCCCN2CC[NH2+]CC2)C1 ZINC001331422887 886799707 /nfs/dbraw/zinc/79/97/07/886799707.db2.gz SZCWLDHAPBAPED-CHWSQXEVSA-N 2 0 283.420 -0.149 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC001331474809 886816591 /nfs/dbraw/zinc/81/65/91/886816591.db2.gz LCOWMEOQKJSUQR-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC001331474827 886817371 /nfs/dbraw/zinc/81/73/71/886817371.db2.gz LCOWMEOQKJSUQR-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC001331490682 886821647 /nfs/dbraw/zinc/82/16/47/886821647.db2.gz ZQSAWGRIPSBWGT-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC001331514735 886829324 /nfs/dbraw/zinc/82/93/24/886829324.db2.gz XBYZLYLXDFPZLW-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001447470154 913085186 /nfs/dbraw/zinc/08/51/86/913085186.db2.gz NLGXKKDMKQBOFV-AWEZNQCLSA-N 2 0 287.404 -0.736 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001331603332 886862538 /nfs/dbraw/zinc/86/25/38/886862538.db2.gz BWRVGFPJCVQPST-ZYHUDNBSSA-N 2 0 280.372 -0.711 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331616223 886865270 /nfs/dbraw/zinc/86/52/70/886865270.db2.gz AANQMSJSSMDWGI-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001331617875 886868088 /nfs/dbraw/zinc/86/80/88/886868088.db2.gz ONTWTOVKCYHRGX-BETUJISGSA-N 2 0 296.415 -0.312 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001331660415 886887070 /nfs/dbraw/zinc/88/70/70/886887070.db2.gz YVAVTLGAGFWURW-SDDRHHMPSA-N 2 0 282.388 -0.750 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCCF ZINC001331683869 886906110 /nfs/dbraw/zinc/90/61/10/886906110.db2.gz MEMXTFWEKDYDPU-GHMZBOCLSA-N 2 0 261.341 -0.493 20 0 CBADRP CCCNC(=O)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001447534473 913093699 /nfs/dbraw/zinc/09/36/99/913093699.db2.gz BQZJPQREEXJVLK-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001447534059 913093841 /nfs/dbraw/zinc/09/38/41/913093841.db2.gz BHTLOZPGLCBBRK-QWRGUYRKSA-N 2 0 270.377 -0.879 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)[C@@H](C)C1 ZINC001447535435 913094402 /nfs/dbraw/zinc/09/44/02/913094402.db2.gz GLIBWFVSMVANQP-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)c1c(C[NH3+])cnn1C ZINC001331712763 886927525 /nfs/dbraw/zinc/92/75/25/886927525.db2.gz QIQRHICKKBPMOC-UHFFFAOYSA-N 2 0 269.349 -0.813 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)C12CCC[NH+]1CCC2 ZINC001331713368 886930531 /nfs/dbraw/zinc/93/05/31/886930531.db2.gz XDHVIHLGPYVMRS-NSHDSACASA-N 2 0 253.346 -0.281 20 0 CBADRP CN(CCOCC[NH3+])C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC001331725216 886939026 /nfs/dbraw/zinc/93/90/26/886939026.db2.gz LQALVQVVXKHRGV-JTQLQIEISA-N 2 0 281.360 -0.466 20 0 CBADRP CC(C)=CC[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C ZINC001331775664 886975991 /nfs/dbraw/zinc/97/59/91/886975991.db2.gz UDLSJTZDMMKCMY-LBPRGKRZSA-N 2 0 257.378 -0.029 20 0 CBADRP COCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001331834143 887004181 /nfs/dbraw/zinc/00/41/81/887004181.db2.gz DVCPFRJDEMVLJD-NEPJUHHUSA-N 2 0 273.377 -0.959 20 0 CBADRP CN(CCOCC[NH3+])Cc1coc(S(N)(=O)=O)c1 ZINC001331847683 887013708 /nfs/dbraw/zinc/01/37/08/887013708.db2.gz ORFRSFOFVJTUAX-UHFFFAOYSA-N 2 0 277.346 -0.666 20 0 CBADRP c1c(CN2CC[NH2+]CC2)nnn1C1CC[NH2+]CC1 ZINC001331901129 887037926 /nfs/dbraw/zinc/03/79/26/887037926.db2.gz JGBRZFNOIYZMIS-UHFFFAOYSA-N 2 0 250.350 -0.392 20 0 CBADRP [NH3+]CCCn1cc(CCN2CCC([NH3+])CC2)nn1 ZINC001331919023 887046237 /nfs/dbraw/zinc/04/62/37/887046237.db2.gz SCZAYWUGNIHTJM-UHFFFAOYSA-N 2 0 252.366 -0.408 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001331957582 887060554 /nfs/dbraw/zinc/06/05/54/887060554.db2.gz LXTUIEHKBRAHNE-AVGNSLFASA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H](O)C[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001447736258 913111689 /nfs/dbraw/zinc/11/16/89/913111689.db2.gz BFLRTSGOILNIGF-STQMWFEESA-N 2 0 299.415 -0.738 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CC[NH+](C)C ZINC001332027408 887089234 /nfs/dbraw/zinc/08/92/34/887089234.db2.gz MJTARAPFBLEJIC-NXEZZACHSA-N 2 0 256.350 -0.998 20 0 CBADRP CCC1([NH3+])CCN(C(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC001332067674 887100051 /nfs/dbraw/zinc/10/00/51/887100051.db2.gz CWPDXPXYVQNQBN-LLVKDONJSA-N 2 0 256.394 -0.005 20 0 CBADRP COC1(C(=O)N2CC3CC2(C[NH3+])C3)CC[NH2+]CC1 ZINC001332145809 887132524 /nfs/dbraw/zinc/13/25/24/887132524.db2.gz UCSCKRGKOLEXLW-UHFFFAOYSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+]CCCCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001332178274 887142968 /nfs/dbraw/zinc/14/29/68/887142968.db2.gz BDOMFJAIZDBCKK-JTQLQIEISA-N 2 0 266.349 -0.329 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001332331036 887203658 /nfs/dbraw/zinc/20/36/58/887203658.db2.gz GVYIQTOPGBDEHF-FRRDWIJNSA-N 2 0 296.415 -0.171 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001332331653 887206749 /nfs/dbraw/zinc/20/67/49/887206749.db2.gz KROPKINZSAECTI-JOCQHMNTSA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001332332661 887208211 /nfs/dbraw/zinc/20/82/11/887208211.db2.gz RZMCGIFHIKIBEZ-TXEJJXNPSA-N 2 0 284.404 -0.362 20 0 CBADRP [NH3+]CC(C[NH3+])NCCOCCOc1ccccc1 ZINC001332335667 887212574 /nfs/dbraw/zinc/21/25/74/887212574.db2.gz ZTYNNZNLUHSHDV-UHFFFAOYSA-N 2 0 253.346 -0.042 20 0 CBADRP C[C@H](O)CCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001332357188 887220212 /nfs/dbraw/zinc/22/02/12/887220212.db2.gz PRQXZYDKTQYFEP-STQMWFEESA-N 2 0 259.394 -0.655 20 0 CBADRP C[C@H](O)CCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001332357187 887220517 /nfs/dbraw/zinc/22/05/17/887220517.db2.gz PRQXZYDKTQYFEP-QWHCGFSZSA-N 2 0 259.394 -0.655 20 0 CBADRP C[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)C1C[NH2+]C1 ZINC001332395214 887254762 /nfs/dbraw/zinc/25/47/62/887254762.db2.gz GCKHIMSQNADJQS-SKDRFNHKSA-N 2 0 255.318 -0.595 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)c1coc(C[NH3+])c1 ZINC001332414650 887268820 /nfs/dbraw/zinc/26/88/20/887268820.db2.gz ZWAQBZBNCNHKFY-UHFFFAOYSA-N 2 0 266.345 -0.285 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C[C@H]1[NH3+] ZINC001332416154 887271366 /nfs/dbraw/zinc/27/13/66/887271366.db2.gz GRKAUPYIFYCNLM-IJLUTSLNSA-N 2 0 282.388 -0.798 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC001332436655 887280692 /nfs/dbraw/zinc/28/06/92/887280692.db2.gz RWDUBWKQNOOGOW-SECBINFHSA-N 2 0 254.338 -0.516 20 0 CBADRP O=C(C[N@H+]1C2CCC1(CO)CC2)N1CC[NH2+]CC1 ZINC001332456109 887291241 /nfs/dbraw/zinc/29/12/41/887291241.db2.gz MFWQZQANSWNQTR-UHFFFAOYSA-N 2 0 253.346 -0.593 20 0 CBADRP C[C@H](CNC(=O)C1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC001332498849 887323046 /nfs/dbraw/zinc/32/30/46/887323046.db2.gz BUFWIYKPYQMIEA-GFCCVEGCSA-N 2 0 268.405 -0.262 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCCC(C)(C)[NH3+] ZINC001332562782 887355013 /nfs/dbraw/zinc/35/50/13/887355013.db2.gz CRKURZBUUDLUNT-LBPRGKRZSA-N 2 0 260.382 -0.274 20 0 CBADRP COCC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001332567311 887357315 /nfs/dbraw/zinc/35/73/15/887357315.db2.gz UOKQGRLDRLXOMJ-QWHCGFSZSA-N 2 0 287.404 -0.617 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC2(C[NH3+])CC2)CC[N@@H+]1C ZINC001332694790 887408834 /nfs/dbraw/zinc/40/88/34/887408834.db2.gz YQWSENJZMDUWDO-NEPJUHHUSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC001332725380 887417223 /nfs/dbraw/zinc/41/72/23/887417223.db2.gz VIBQUYKWPLHBNZ-AWEZNQCLSA-N 2 0 299.463 -0.592 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC001332722054 887418562 /nfs/dbraw/zinc/41/85/62/887418562.db2.gz CUXYGUBUUUGANX-NEPJUHHUSA-N 2 0 256.394 -0.277 20 0 CBADRP CS(=O)(=O)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC001332878717 887458626 /nfs/dbraw/zinc/45/86/26/887458626.db2.gz MNUWZIHWVHCGAU-KXUCPTDWSA-N 2 0 250.364 -0.749 20 0 CBADRP CO[C@]1(C[NH2+][C@H](C)C[C@H](C)[NH3+])CCS(=O)(=O)C1 ZINC001332880951 887461979 /nfs/dbraw/zinc/46/19/79/887461979.db2.gz ZWTYGWPASDGHDX-AXFHLTTASA-N 2 0 264.391 -0.095 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1 ZINC001332993501 887497666 /nfs/dbraw/zinc/49/76/66/887497666.db2.gz MJNFKQCRNBCHJK-AOOOYVTPSA-N 2 0 264.333 -0.797 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC001333404721 887624475 /nfs/dbraw/zinc/62/44/75/887624475.db2.gz HZSVJJDJNZKYHD-XYPYZODXSA-N 2 0 282.388 -0.560 20 0 CBADRP CC(C)([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001333406525 887625094 /nfs/dbraw/zinc/62/50/94/887625094.db2.gz VTKMOSKLIXFSRG-JTQLQIEISA-N 2 0 282.388 -0.417 20 0 CBADRP CCN(C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)[C@@H]1CC[NH2+]C1 ZINC001333473723 887654575 /nfs/dbraw/zinc/65/45/75/887654575.db2.gz BAEPBPCCCAFLNI-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001333566207 887695168 /nfs/dbraw/zinc/69/51/68/887695168.db2.gz KHPGIXSQPCKOAJ-CHWSQXEVSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001333624460 887722757 /nfs/dbraw/zinc/72/27/57/887722757.db2.gz FVVNSJGQOOEDLM-VHSXEESVSA-N 2 0 258.366 -0.704 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001333626637 887722772 /nfs/dbraw/zinc/72/27/72/887722772.db2.gz TUCHMLFHJNHXFO-LBPRGKRZSA-N 2 0 286.420 -0.114 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC001333636417 887729644 /nfs/dbraw/zinc/72/96/44/887729644.db2.gz RLSXUGRLKDSLDL-KBPBESRZSA-N 2 0 299.415 -0.033 20 0 CBADRP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001447993349 913187104 /nfs/dbraw/zinc/18/71/04/913187104.db2.gz QZBKVEJZVJNNCG-RYUDHWBXSA-N 2 0 298.431 -0.114 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C=CCC1 ZINC001334256040 887908337 /nfs/dbraw/zinc/90/83/37/887908337.db2.gz YTTZUQPSWMPXPJ-CYBMUJFWSA-N 2 0 296.415 -0.227 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCC(N3CCOC3=O)CC2)C1 ZINC001334339186 887928553 /nfs/dbraw/zinc/92/85/53/887928553.db2.gz WGIQKEKUULCFHI-DLOVCJGASA-N 2 0 269.345 -0.246 20 0 CBADRP Cn1nnnc1CCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC001334707537 888291411 /nfs/dbraw/zinc/29/14/11/888291411.db2.gz KWRIGNCETJLOGL-RWMBFGLXSA-N 2 0 294.403 -0.111 20 0 CBADRP O=C(CN1CCC[C@@]12CC[NH2+]C2)N1CC[NH2+]CC1 ZINC001334737550 888303632 /nfs/dbraw/zinc/30/36/32/888303632.db2.gz IRKUTVOOLSADHW-ZDUSSCGKSA-N 2 0 252.362 -0.754 20 0 CBADRP [NH3+]CC[C@H](NC1CCN(CC[NH3+])CC1)C(F)F ZINC001334755125 888314826 /nfs/dbraw/zinc/31/48/26/888314826.db2.gz WYHOSLDNYQWGHR-JTQLQIEISA-N 2 0 250.337 -0.018 20 0 CBADRP COC(=O)[C@H](O)C1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001334775283 888320046 /nfs/dbraw/zinc/32/00/46/888320046.db2.gz VDKQHXMRCFTFCE-ADEWGFFLSA-N 2 0 256.346 -0.030 20 0 CBADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001334774224 888320614 /nfs/dbraw/zinc/32/06/14/888320614.db2.gz GVFUYCXBVPMWDQ-CHWSQXEVSA-N 3 0 268.405 -0.146 20 0 CBADRP Cn1nc(C2CC2)nc1CN1CC[NH2+]CC[NH2+]CC1 ZINC001335180385 888431791 /nfs/dbraw/zinc/43/17/91/888431791.db2.gz FWDUPSYWXYTOSM-UHFFFAOYSA-N 2 0 264.377 -0.313 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCCC[NH3+])C[C@H]2C1 ZINC001335234118 888461124 /nfs/dbraw/zinc/46/11/24/888461124.db2.gz JIVQGEXTBNTXMA-JHJVBQTASA-N 2 0 296.415 -0.360 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001335246499 888466546 /nfs/dbraw/zinc/46/65/46/888466546.db2.gz IRNJKUJDDPDVBY-PHIMTYICSA-N 2 0 270.377 -0.750 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC001335261042 888474246 /nfs/dbraw/zinc/47/42/46/888474246.db2.gz CZLDCKIUIABWTK-OLZOCXBDSA-N 2 0 296.415 -0.406 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC001335261043 888474667 /nfs/dbraw/zinc/47/46/67/888474667.db2.gz CZLDCKIUIABWTK-QWHCGFSZSA-N 2 0 296.415 -0.406 20 0 CBADRP C[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC001335264217 888475951 /nfs/dbraw/zinc/47/59/51/888475951.db2.gz KGKOHEODVUTLPH-WOPDTQHZSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@H](NC(=O)C1(C[NH3+])CC(O)C1)[C@@H]1CCC[NH2+]C1 ZINC001335264326 888476232 /nfs/dbraw/zinc/47/62/32/888476232.db2.gz KYHAMKDFPQSMMT-KIENENRBSA-N 2 0 255.362 -0.410 20 0 CBADRP C[NH+]1CCC(O)(C[NH2+]C[C@H](O)C2(O)CCC2)CC1 ZINC001335397003 888523123 /nfs/dbraw/zinc/52/31/23/888523123.db2.gz BMHXDUNIZXRCST-NSHDSACASA-N 2 0 258.362 -0.691 20 0 CBADRP CCN1C[C@@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1=O ZINC001335421286 888529858 /nfs/dbraw/zinc/52/98/58/888529858.db2.gz JUHVVVHGNVEYPQ-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCNCC[NH2+]CC1 ZINC001335568882 888567688 /nfs/dbraw/zinc/56/76/88/888567688.db2.gz SFDCSIKGTMCJNL-JTQLQIEISA-N 2 0 291.346 -0.812 20 0 CBADRP CC[NH2+]CCNC(=O)NC[C@H](C[NH+](C)C)OCC ZINC001335582928 888570863 /nfs/dbraw/zinc/57/08/63/888570863.db2.gz CJJWOYJLPFFIEG-LLVKDONJSA-N 2 0 260.382 -0.138 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)NCC1=CC[NH2+]CC1 ZINC001335595319 888577112 /nfs/dbraw/zinc/57/71/12/888577112.db2.gz HEOKHRFEWDRADH-ZDUSSCGKSA-N 2 0 282.388 -0.074 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC001335602486 888580633 /nfs/dbraw/zinc/58/06/33/888580633.db2.gz AAJHVSYGAWJKKY-AXFHLTTASA-N 2 0 256.350 -0.599 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)NCCN1CCC([NH3+])CC1 ZINC001335622850 888586322 /nfs/dbraw/zinc/58/63/22/888586322.db2.gz JWICAYRYHQHMQM-SNVBAGLBSA-N 2 0 257.382 -0.602 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC001335680250 888601922 /nfs/dbraw/zinc/60/19/22/888601922.db2.gz WFIWFRUWJJXXGO-NXEZZACHSA-N 2 0 256.350 -0.728 20 0 CBADRP C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)C[C@]2(O)CCOC2)C1 ZINC001335933784 888656173 /nfs/dbraw/zinc/65/61/73/888656173.db2.gz MALNVDJUIOAYDE-JHJVBQTASA-N 2 0 258.362 -0.570 20 0 CBADRP C[NH+]1CCC(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001335942412 888658175 /nfs/dbraw/zinc/65/81/75/888658175.db2.gz PYFNRQQJIPOABK-HNNXBMFYSA-N 3 0 284.448 -0.474 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2C[C@@](C)(O)C2)CC1 ZINC001336017396 888673632 /nfs/dbraw/zinc/67/36/32/888673632.db2.gz IIMAAJDQPLEILY-UPJWGTAASA-N 2 0 257.378 -0.902 20 0 CBADRP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001336095182 888692905 /nfs/dbraw/zinc/69/29/05/888692905.db2.gz LVPXLJAVNFRCFE-BZUAXINKSA-N 3 0 294.443 -0.266 20 0 CBADRP CC(C)([NH3+])CNC(=O)NCCN1CCC([NH3+])CC1 ZINC001336116303 888697730 /nfs/dbraw/zinc/69/77/30/888697730.db2.gz KXHHXCDYITYMPI-UHFFFAOYSA-N 2 0 257.382 -0.554 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001336124067 888699802 /nfs/dbraw/zinc/69/98/02/888699802.db2.gz IKHJBKAQBNGNQR-JTQLQIEISA-N 2 0 258.366 -0.270 20 0 CBADRP [NH3+]C/C=C\CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001336131793 888700475 /nfs/dbraw/zinc/70/04/75/888700475.db2.gz BNOSVUARUZBZDG-IKGCNYHESA-N 2 0 282.388 -0.258 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001336149142 888707074 /nfs/dbraw/zinc/70/70/74/888707074.db2.gz BRSUBUBAABJLNC-MRFPXMQZSA-N 2 0 264.373 -0.011 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001336252549 888728362 /nfs/dbraw/zinc/72/83/62/888728362.db2.gz PLSGEGIXOBGTCW-WISYIIOYSA-N 2 0 268.361 -0.755 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001336270159 888732025 /nfs/dbraw/zinc/73/20/25/888732025.db2.gz COJNQWNKVIOWRP-XYPYZODXSA-N 2 0 258.366 -0.399 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)CC1 ZINC001336306602 888739920 /nfs/dbraw/zinc/73/99/20/888739920.db2.gz CUZWJTUCCHXVRQ-JJXSEGSLSA-N 2 0 295.427 -0.225 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001336650424 888832833 /nfs/dbraw/zinc/83/28/33/888832833.db2.gz UAZLVFVIWNXHHA-ZDEQEGDKSA-N 2 0 296.415 -0.362 20 0 CBADRP C[C@@]1(C(=O)N2CCC(OCCC[NH3+])CC2)C[C@H](O)C[NH2+]1 ZINC001336661972 888838167 /nfs/dbraw/zinc/83/81/67/888838167.db2.gz YXXDKHZKYLSKDZ-FZMZJTMJSA-N 2 0 285.388 -0.544 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001336712887 888852409 /nfs/dbraw/zinc/85/24/09/888852409.db2.gz KUMMIMJISDCVEF-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001336742848 888863106 /nfs/dbraw/zinc/86/31/06/888863106.db2.gz RTCPSSMUNGNADN-BDAKNGLRSA-N 2 0 251.334 -0.094 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001336743114 888867573 /nfs/dbraw/zinc/86/75/73/888867573.db2.gz VDGILDTYECHFLM-XYZCENFISA-N 2 0 261.391 -0.707 20 0 CBADRP C[N@H+]1CC=C(C[NH2+]C[C@H](O)C2(O)CCOCC2)CC1 ZINC001336770010 888876637 /nfs/dbraw/zinc/87/66/37/888876637.db2.gz FMGJFCDQYLLKEJ-ZDUSSCGKSA-N 2 0 270.373 -0.260 20 0 CBADRP COC[C@H](O)C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC001336797485 888883593 /nfs/dbraw/zinc/88/35/93/888883593.db2.gz SVVODPYBYCOYHP-GFCCVEGCSA-N 2 0 260.378 -0.181 20 0 CBADRP CO[C@H](C)[C@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001336814768 888891503 /nfs/dbraw/zinc/89/15/03/888891503.db2.gz SOPHPKJIKNFPSP-YNEHKIRRSA-N 2 0 259.394 -0.392 20 0 CBADRP C[C@@H]([NH2+]CC(=O)NCC[NH+]1CCCCC1)[C@H](C)O ZINC001336829815 888894086 /nfs/dbraw/zinc/89/40/86/888894086.db2.gz FHBBIKSZRKKYCM-NEPJUHHUSA-N 2 0 257.378 -0.053 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)N1CCNCC[NH2+]CC1 ZINC001336893154 888909307 /nfs/dbraw/zinc/90/93/07/888909307.db2.gz IGGXEKPJANMAAO-NSHDSACASA-N 2 0 257.382 -0.811 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC001336909128 888916877 /nfs/dbraw/zinc/91/68/77/888916877.db2.gz RAWAVGWBTIPFMT-LBPRGKRZSA-N 2 0 269.393 -0.810 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)N1CC[NH2+]C[C@@H]1COC ZINC001336905303 888917142 /nfs/dbraw/zinc/91/71/42/888917142.db2.gz DHTQGOODMVWASN-WDEREUQCSA-N 2 0 258.366 -0.528 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001336906158 888917202 /nfs/dbraw/zinc/91/72/02/888917202.db2.gz DIYAJMZNBZTXJE-CYBMUJFWSA-N 2 0 283.420 -0.325 20 0 CBADRP CC1(C)CN(C(=O)NCCOCCC[NH3+])C[C@@H]1[NH3+] ZINC001336933754 888926227 /nfs/dbraw/zinc/92/62/27/888926227.db2.gz MPPDAJZLJGLZFG-JTQLQIEISA-N 2 0 258.366 -0.270 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001448426831 913296437 /nfs/dbraw/zinc/29/64/37/913296437.db2.gz IUUGYURVVLCTFA-RVMXOQNASA-N 2 0 296.415 -0.504 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001337024327 888948597 /nfs/dbraw/zinc/94/85/97/888948597.db2.gz PKLJVTNSQYPLGV-NNYUYHANSA-N 2 0 268.361 -0.443 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC001337308450 888991754 /nfs/dbraw/zinc/99/17/54/888991754.db2.gz FTAUWPJSUOFXOB-LLVKDONJSA-N 2 0 268.361 -0.854 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001337323798 888992790 /nfs/dbraw/zinc/99/27/90/888992790.db2.gz PJNXYLHBZBIOFJ-SRVKXCTJSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC001337440774 889012347 /nfs/dbraw/zinc/01/23/47/889012347.db2.gz MLRKJNSOKAUTKV-DCAQKATOSA-N 2 0 282.388 -0.561 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001337472597 889018159 /nfs/dbraw/zinc/01/81/59/889018159.db2.gz YPANJVCNZWZBCE-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)(CO)[NH+]1CCN(c2cc(N)ncn2)CC1 ZINC001337784042 889077430 /nfs/dbraw/zinc/07/74/30/889077430.db2.gz ZQBKPIRSKFRMCO-UHFFFAOYSA-N 2 0 251.334 -0.048 20 0 CBADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001448511683 913311589 /nfs/dbraw/zinc/31/15/89/913311589.db2.gz RZDBMXJKMDOACZ-SRVKXCTJSA-N 2 0 296.415 -0.314 20 0 CBADRP CN(C(=O)Cc1csc(C[NH3+])n1)[C@H]1CC[NH2+]C1 ZINC001338373629 889151870 /nfs/dbraw/zinc/15/18/70/889151870.db2.gz JMAFGSGPDYEKOG-VIFPVBQESA-N 2 0 254.359 -0.035 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001448522372 913314110 /nfs/dbraw/zinc/31/41/10/913314110.db2.gz VOMACEZNWHMYDH-CYDGBPFRSA-N 2 0 296.415 -0.443 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001448518913 913314513 /nfs/dbraw/zinc/31/45/13/913314513.db2.gz AQVMRVRYVIQWIF-AVGNSLFASA-N 2 0 298.431 -0.053 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)NC1CC[NH2+]CC1 ZINC001338624892 889181236 /nfs/dbraw/zinc/18/12/36/889181236.db2.gz NGAHBKDRPUDBIY-LLVKDONJSA-N 2 0 256.350 -0.632 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)NCCN1CCC([NH3+])CC1 ZINC001338658329 889187361 /nfs/dbraw/zinc/18/73/61/889187361.db2.gz AKHLGYQKAYOZII-JTQLQIEISA-N 2 0 257.382 -0.683 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC001338659474 889188966 /nfs/dbraw/zinc/18/89/66/889188966.db2.gz HIFRBFRHWGNZHW-MNOVXSKESA-N 2 0 258.366 -0.386 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001338764895 889201133 /nfs/dbraw/zinc/20/11/33/889201133.db2.gz BMJJJCIPYUXYAK-FIQHERPVSA-N 2 0 268.361 -0.816 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001338767471 889201236 /nfs/dbraw/zinc/20/12/36/889201236.db2.gz WEHYFEVHWBZIDW-NHCYSSNCSA-N 2 0 258.366 -0.665 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC001338767441 889202794 /nfs/dbraw/zinc/20/27/94/889202794.db2.gz VDDUSQPIBSTWEK-DCAQKATOSA-N 2 0 256.350 -0.517 20 0 CBADRP C[NH+](C)CCOCCNC(=O)CN1CCC(CO)CC1 ZINC001338935893 889217342 /nfs/dbraw/zinc/21/73/42/889217342.db2.gz DWKIRFSODKEJSS-UHFFFAOYSA-N 2 0 287.404 -0.615 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC001340062168 889375318 /nfs/dbraw/zinc/37/53/18/889375318.db2.gz MPNOYYKUANKPLZ-TUAOUCFPSA-N 2 0 257.378 -0.339 20 0 CBADRP O=C([C@H]1[NH2+]CC12CCOCC2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001339907808 889342795 /nfs/dbraw/zinc/34/27/95/889342795.db2.gz PWXFHAUDYDFDOL-GRYCIOLGSA-N 2 0 265.357 -0.567 20 0 CBADRP CC(C)(CO)[NH+]1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC001339914719 889343485 /nfs/dbraw/zinc/34/34/85/889343485.db2.gz PFWBZFJZTOPJFP-SRVKXCTJSA-N 2 0 257.378 -0.775 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)[C@H](C)C[NH2+]1 ZINC001340127396 889387907 /nfs/dbraw/zinc/38/79/07/889387907.db2.gz AWMVFGCSCQZUAY-LPWJVIDDSA-N 2 0 266.389 -0.417 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC(C)([NH3+])CC1 ZINC001340147751 889395537 /nfs/dbraw/zinc/39/55/37/889395537.db2.gz OMHLBUPDNBMECE-NEPJUHHUSA-N 2 0 266.389 -0.286 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CNCC[NH3+])C1 ZINC001340189218 889404824 /nfs/dbraw/zinc/40/48/24/889404824.db2.gz AFEKFAWTNIWRDB-LBPRGKRZSA-N 2 0 256.394 -0.229 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC001340282776 889417149 /nfs/dbraw/zinc/41/71/49/889417149.db2.gz PMJDOKKQGWYRJO-QCNOEVLYSA-N 2 0 255.362 -0.003 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001340267625 889417964 /nfs/dbraw/zinc/41/79/64/889417964.db2.gz ULMMEYRVGMZIGA-ZIAGYGMSSA-N 2 0 267.373 -0.297 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)C2(C3CC[NH2+]CC3)CC2)CCO1 ZINC001340266296 889418038 /nfs/dbraw/zinc/41/80/38/889418038.db2.gz NJOSRKYODACLFT-GFCCVEGCSA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+][C@H](CO)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC001340296916 889420280 /nfs/dbraw/zinc/42/02/80/889420280.db2.gz KQTJSEQDLLKTSL-SECBINFHSA-N 2 0 253.277 -0.271 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001340320745 889423240 /nfs/dbraw/zinc/42/32/40/889423240.db2.gz KXTCFRCIZWEYRG-GFCCVEGCSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC[NH2+]CC1 ZINC001340461917 889434022 /nfs/dbraw/zinc/43/40/22/889434022.db2.gz KMIRXZVSSIIFID-VXGBXAGGSA-N 2 0 252.362 -0.803 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC001340477808 889436397 /nfs/dbraw/zinc/43/63/97/889436397.db2.gz PSFSKPVMXRJOER-SCVCMEIPSA-N 2 0 257.378 -0.211 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C[C@@H]1C[NH3+] ZINC001340471107 889436996 /nfs/dbraw/zinc/43/69/96/889436996.db2.gz HAYYNPGMHLZLBR-BLFANLJRSA-N 2 0 255.362 -0.457 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001340477851 889437649 /nfs/dbraw/zinc/43/76/49/889437649.db2.gz RCCQXWDGFWQZLN-LPEHRKFASA-N 2 0 257.334 -0.524 20 0 CBADRP CN(C(=O)C[NH+]1CCC(CO)CC1)[C@@H]1CC[NH2+]C1 ZINC001340478375 889439356 /nfs/dbraw/zinc/43/93/56/889439356.db2.gz UDNVVHPKPDYBHD-GFCCVEGCSA-N 2 0 255.362 -0.489 20 0 CBADRP O=C(NCCC[NH2+]C1CC1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001340519135 889443477 /nfs/dbraw/zinc/44/34/77/889443477.db2.gz MCFYMMMIBQMVIY-RISCZKNCSA-N 2 0 267.373 -0.129 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)CC(C)(C)[NH3+] ZINC001340596156 889451414 /nfs/dbraw/zinc/45/14/14/889451414.db2.gz POYQTZPOSGDJAH-WDEREUQCSA-N 2 0 254.378 -0.430 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCN2C)[C@H](C[NH3+])C1 ZINC001340644271 889459184 /nfs/dbraw/zinc/45/91/84/889459184.db2.gz MVSCUZTZTCNJMC-WOPDTQHZSA-N 2 0 254.378 -0.524 20 0 CBADRP C[NH2+]CCOc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC001340672750 889464504 /nfs/dbraw/zinc/46/45/04/889464504.db2.gz TVSMXDAKHWMHOH-OLZOCXBDSA-N 2 0 279.340 -0.653 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC001340731540 889474607 /nfs/dbraw/zinc/47/46/07/889474607.db2.gz YXXBGUPHOPYDBI-BNOWGMLFSA-N 2 0 266.389 -0.652 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001340735328 889475761 /nfs/dbraw/zinc/47/57/61/889475761.db2.gz MHFJFUBYKIGKIH-WDEREUQCSA-N 2 0 269.345 -0.998 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001340785335 889484591 /nfs/dbraw/zinc/48/45/91/889484591.db2.gz GXMUYOMOVDRYOK-YPMHNXCESA-N 2 0 257.378 -0.019 20 0 CBADRP C[C@H](CC(=O)N[C@@H]1C[NH2+]C[C@@H]1O)C1CC[NH2+]CC1 ZINC001340785466 889485249 /nfs/dbraw/zinc/48/52/49/889485249.db2.gz CGQXHPVNJXNMKF-JLLWLGSASA-N 2 0 255.362 -0.539 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)C1=O ZINC001340795562 889486711 /nfs/dbraw/zinc/48/67/11/889486711.db2.gz HQFGUDDQFVWJRE-XQQFMLRXSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)C2(C[NH3+])CC(O)C2)C[C@@H](C)O1 ZINC001340791652 889487796 /nfs/dbraw/zinc/48/77/96/889487796.db2.gz SFHHRZODUDTAIU-SIUPQYRZSA-N 2 0 299.415 -0.298 20 0 CBADRP C[NH2+]C1CC(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC001340845045 889494546 /nfs/dbraw/zinc/49/45/46/889494546.db2.gz PZDBXOOAMUDMEM-HIFPTAJRSA-N 2 0 296.415 -0.312 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001340847267 889497398 /nfs/dbraw/zinc/49/73/98/889497398.db2.gz YPOQQWACOSRNSH-LOWVWBTDSA-N 2 0 257.378 -0.054 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001340847261 889498156 /nfs/dbraw/zinc/49/81/56/889498156.db2.gz YPOQQWACOSRNSH-DMDPSCGWSA-N 2 0 257.378 -0.054 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001340865282 889500376 /nfs/dbraw/zinc/50/03/76/889500376.db2.gz HITYYLPZAZGNOY-NEPJUHHUSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001340868097 889501724 /nfs/dbraw/zinc/50/17/24/889501724.db2.gz SGJPOUWKSVLRRP-UPJWGTAASA-N 2 0 269.389 -0.053 20 0 CBADRP CC[C@@H](CO)[NH2+]CC1(C[NH2+][C@@H](CC)CO)COC1 ZINC001340884707 889507720 /nfs/dbraw/zinc/50/77/20/889507720.db2.gz HSYKPECUPOPYPH-RYUDHWBXSA-N 2 0 260.378 -0.276 20 0 CBADRP CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001340893933 889507879 /nfs/dbraw/zinc/50/78/79/889507879.db2.gz LWEOJSGRPJHTGE-NWDGAFQWSA-N 2 0 254.378 -0.510 20 0 CBADRP [NH3+][C@@H](CNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2)C1CC1 ZINC001340906971 889510114 /nfs/dbraw/zinc/51/01/14/889510114.db2.gz OQTKGGFEPLPHHB-GWCFXTLKSA-N 2 0 266.345 -0.262 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)N2CCC[C@@H]([NH3+])C2)n1 ZINC001340916047 889512631 /nfs/dbraw/zinc/51/26/31/889512631.db2.gz OETDPECGLSFMRS-SNVBAGLBSA-N 2 0 251.334 -0.205 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@@H]1CCC[NH2+]CC1 ZINC001340917138 889514370 /nfs/dbraw/zinc/51/43/70/889514370.db2.gz XMKIFWGWQLQOGN-DGCLKSJQSA-N 2 0 255.362 -0.251 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCC[NH+](C)C ZINC001340927011 889517016 /nfs/dbraw/zinc/51/70/16/889517016.db2.gz BRAOQYHULJDDED-LLVKDONJSA-N 2 0 258.366 -0.846 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCC[NH+](C)C ZINC001340927012 889517024 /nfs/dbraw/zinc/51/70/24/889517024.db2.gz BRAOQYHULJDDED-NSHDSACASA-N 2 0 258.366 -0.846 20 0 CBADRP COC[C@H]([NH3+])C(=O)N(CCC[NH3+])CC(F)(F)F ZINC001340950680 889518801 /nfs/dbraw/zinc/51/88/01/889518801.db2.gz FXPYAPNOTZJNHQ-ZETCQYMHSA-N 2 0 257.256 -0.300 20 0 CBADRP CC(C)[NH+]1CCC(C(=O)N2CC[NH2+]C[C@H]2CO)CC1 ZINC001340955348 889523064 /nfs/dbraw/zinc/52/30/64/889523064.db2.gz ZZRNQTSISHXHBH-ZDUSSCGKSA-N 2 0 269.389 -0.101 20 0 CBADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)CNCC[NH3+])cc1 ZINC001340968166 889526113 /nfs/dbraw/zinc/52/61/13/889526113.db2.gz OYTFJKHKPNVELA-CQSZACIVSA-N 2 0 292.383 -0.284 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001341069876 889538392 /nfs/dbraw/zinc/53/83/92/889538392.db2.gz HOFPAPGNLFCGJR-DGCLKSJQSA-N 2 0 255.362 -0.129 20 0 CBADRP CCO[C@@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)C[NH+](C)C ZINC001341171562 889554587 /nfs/dbraw/zinc/55/45/87/889554587.db2.gz DAEPXZZZIUWPTR-CMPLNLGQSA-N 2 0 261.341 -0.229 20 0 CBADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001341099471 889542363 /nfs/dbraw/zinc/54/23/63/889542363.db2.gz IWXAWBJKANABTA-JSGCOSHPSA-N 2 0 268.405 -0.085 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC001341098374 889542395 /nfs/dbraw/zinc/54/23/95/889542395.db2.gz SJMVTYIXEZDVQI-NEPJUHHUSA-N 2 0 254.378 -0.476 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)[C@H]2[NH2+]CC23CCOCC3)C1 ZINC001341116247 889544428 /nfs/dbraw/zinc/54/44/28/889544428.db2.gz MUJWFKIXFNBQGS-NWDGAFQWSA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC001341116717 889544697 /nfs/dbraw/zinc/54/46/97/889544697.db2.gz RIVNEBNZUXTYID-LOWVWBTDSA-N 2 0 255.362 -0.184 20 0 CBADRP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCNCC[NH2+]CC1 ZINC001341107030 889544980 /nfs/dbraw/zinc/54/49/80/889544980.db2.gz BSFUMOZSTFQCFE-HNNXBMFYSA-N 2 0 288.395 -0.278 20 0 CBADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001341115424 889545327 /nfs/dbraw/zinc/54/53/27/889545327.db2.gz FOICNFQVEBGJCJ-GXFFZTMASA-N 2 0 255.362 -0.313 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001341176136 889554060 /nfs/dbraw/zinc/55/40/60/889554060.db2.gz FXLQJPIYIQTWPW-YRGRVCCFSA-N 2 0 268.405 -0.086 20 0 CBADRP CSCC[C@H]([NH3+])C(=O)N1CCNCC[NH2+]CC1 ZINC001341220403 889558931 /nfs/dbraw/zinc/55/89/31/889558931.db2.gz BAILFFQGHMAVRT-JTQLQIEISA-N 2 0 260.407 -0.912 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)C1 ZINC001341241146 889562357 /nfs/dbraw/zinc/56/23/57/889562357.db2.gz WZDBUARJRZPSJH-UISIKIEVSA-N 2 0 267.373 -0.146 20 0 CBADRP [NH3+][C@H]1CC[C@@H](C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC001341241168 889562777 /nfs/dbraw/zinc/56/27/77/889562777.db2.gz XKXWOKUDPKPHQP-NTZNESFSSA-N 2 0 255.362 -0.184 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC001341243729 889564720 /nfs/dbraw/zinc/56/47/20/889564720.db2.gz KABLGVWUSBJMSU-FRRDWIJNSA-N 2 0 266.389 -0.367 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC001341250215 889565926 /nfs/dbraw/zinc/56/59/26/889565926.db2.gz KNXDOQHVWFBSCC-BZPMIXESSA-N 2 0 269.389 -0.066 20 0 CBADRP C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+][C@@H]1CCNC1=O ZINC001448721404 913359161 /nfs/dbraw/zinc/35/91/61/913359161.db2.gz RXBXDMOHOWVNPT-DGCLKSJQSA-N 2 0 296.415 -0.347 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2[NH2+]CC23CCOCC3)C1 ZINC001341291265 889571236 /nfs/dbraw/zinc/57/12/36/889571236.db2.gz LTYUTQQHUXVCIB-NWDGAFQWSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]C1(CC(=O)N2CCC3(CC2)C[NH2+]CCO3)CC1 ZINC001341313464 889574256 /nfs/dbraw/zinc/57/42/56/889574256.db2.gz JSLBGGYMAOMNAS-UHFFFAOYSA-N 2 0 253.346 -0.151 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@H]3CC[C@]32C[NH3+])=NO1 ZINC001341336021 889576348 /nfs/dbraw/zinc/57/63/48/889576348.db2.gz QKDISJYSMZDISC-KWBADKCTSA-N 2 0 266.345 -0.180 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH2+]C1CC1 ZINC001341354089 889579368 /nfs/dbraw/zinc/57/93/68/889579368.db2.gz PTLKCUUZEBZEMY-ZYHUDNBSSA-N 2 0 252.362 -0.757 20 0 CBADRP [NH3+]C[C@@H](O)CNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC001341381578 889585879 /nfs/dbraw/zinc/58/58/79/889585879.db2.gz BSRPVQUVCCQFQG-CYBMUJFWSA-N 2 0 263.341 -0.576 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)N2CC3CC2(C[NH3+])C3)n1 ZINC001341386511 889587749 /nfs/dbraw/zinc/58/77/49/889587749.db2.gz YPVHGUBNSPWYMU-UHFFFAOYSA-N 2 0 263.345 -0.205 20 0 CBADRP CN1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC[N@H+](C)CC1 ZINC001341395641 889589599 /nfs/dbraw/zinc/58/95/99/889589599.db2.gz VHRMECXTABFHKE-AWEZNQCLSA-N 2 0 268.405 -0.308 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC001341447629 889597474 /nfs/dbraw/zinc/59/74/74/889597474.db2.gz LROUUGFXQZUKJM-YRGRVCCFSA-N 2 0 266.389 -0.380 20 0 CBADRP [NH3+][C@@H]1C[C@H](C(=O)N2CCOC3(C[NH2+]C3)C2)[C@H]2C[C@H]21 ZINC001341432758 889598739 /nfs/dbraw/zinc/59/87/39/889598739.db2.gz CYAVMGBNDSQCNV-ZRUFSTJUSA-N 2 0 251.330 -0.830 20 0 CBADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001341432039 889598822 /nfs/dbraw/zinc/59/88/22/889598822.db2.gz ARTBMISOWAIIMW-SNVBAGLBSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001341458605 889600893 /nfs/dbraw/zinc/60/08/93/889600893.db2.gz SABVCQDKUOAAKQ-DMDPSCGWSA-N 2 0 255.362 -0.252 20 0 CBADRP C[NH2+]C1CC(C(=O)N2CC[NH2+]C[C@@H]2CCOC)C1 ZINC001341464134 889601131 /nfs/dbraw/zinc/60/11/31/889601131.db2.gz GQKUETPWJKZPGZ-MCIGGMRASA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001341465249 889601280 /nfs/dbraw/zinc/60/12/80/889601280.db2.gz KHRAIWCWQCCZJU-UTUOFQBUSA-N 2 0 266.389 -0.511 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)c1ccccc1C[NH3+] ZINC001341493764 889607036 /nfs/dbraw/zinc/60/70/36/889607036.db2.gz SWBYSOIHMQCGLA-NSHDSACASA-N 2 0 251.330 -0.202 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC001341492793 889607200 /nfs/dbraw/zinc/60/72/00/889607200.db2.gz MHGDUDHYJSIXPK-WOPDTQHZSA-N 2 0 257.378 -0.067 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC001341500990 889609274 /nfs/dbraw/zinc/60/92/74/889609274.db2.gz GNYYXEPZSUUWNP-WXHSDQCUSA-N 2 0 269.389 -0.245 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C[NH+]1CCC(CO)CC1 ZINC001341509268 889609861 /nfs/dbraw/zinc/60/98/61/889609861.db2.gz SEQIRUSDFSLPQL-CMPLNLGQSA-N 2 0 255.362 -0.361 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001341512898 889611580 /nfs/dbraw/zinc/61/15/80/889611580.db2.gz ACGXRGHVUXGGQV-GIPNMCIBSA-N 2 0 266.345 -0.772 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC001341514555 889611607 /nfs/dbraw/zinc/61/16/07/889611607.db2.gz HVGYQPQXMBMBBU-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001341525120 889614765 /nfs/dbraw/zinc/61/47/65/889614765.db2.gz JAHQYDOXBTXFPI-RWEMILLDSA-N 2 0 266.345 -0.645 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)C[C@@]1(O)CCC[NH2+]C1)C1CC1 ZINC001341572187 889622782 /nfs/dbraw/zinc/62/27/82/889622782.db2.gz YEFQUQRSNDXESR-JSGCOSHPSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC001341572195 889623277 /nfs/dbraw/zinc/62/32/77/889623277.db2.gz YJRLTYRZDDPSSW-DLOVCJGASA-N 2 0 257.378 -0.341 20 0 CBADRP [NH3+]CCNCC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001341564885 889623607 /nfs/dbraw/zinc/62/36/07/889623607.db2.gz QGJSYDXWJDVPLT-YUMQZZPRSA-N 2 0 268.283 -0.870 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001341620869 889635236 /nfs/dbraw/zinc/63/52/36/889635236.db2.gz ZUOBLAIJUINKLS-MDZLAQPJSA-N 2 0 255.362 -0.443 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001341622003 889635378 /nfs/dbraw/zinc/63/53/78/889635378.db2.gz DRPYXKUVPOWUKS-YPMHNXCESA-N 2 0 255.362 -0.312 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC001341633543 889636458 /nfs/dbraw/zinc/63/64/58/889636458.db2.gz FIGRWIXDJANFQI-LBELIVKGSA-N 2 0 266.389 -0.668 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC001341641010 889636596 /nfs/dbraw/zinc/63/65/96/889636596.db2.gz VIWNHXWLHPJAQE-NXEZZACHSA-N 2 0 277.315 -0.322 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC001341638870 889637622 /nfs/dbraw/zinc/63/76/22/889637622.db2.gz XBLBGJUKMITDML-NXEZZACHSA-N 2 0 266.349 -0.645 20 0 CBADRP CC1(CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[NH2+]CC1 ZINC001341644005 889639555 /nfs/dbraw/zinc/63/95/55/889639555.db2.gz RJBYDHUXFKZPES-LBPRGKRZSA-N 2 0 296.415 -0.310 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC001341652514 889640407 /nfs/dbraw/zinc/64/04/07/889640407.db2.gz OFBHBLSCRCBTEB-KKOKHZNYSA-N 2 0 257.378 -0.435 20 0 CBADRP CC1(NC(=O)C[NH+]2CCC(CO)CC2)CC[NH2+]CC1 ZINC001341659608 889642668 /nfs/dbraw/zinc/64/26/68/889642668.db2.gz OFEUPAPXEGWWBZ-UHFFFAOYSA-N 2 0 269.389 -0.051 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001341715281 889652079 /nfs/dbraw/zinc/65/20/79/889652079.db2.gz SXVLXFVYCLYXSE-WCQYABFASA-N 2 0 273.377 -0.816 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC([NH+](C)C)CC1 ZINC001341733374 889654224 /nfs/dbraw/zinc/65/42/24/889654224.db2.gz OQAQJIJSZRCEMO-JQWIXIFHSA-N 2 0 257.378 -0.245 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)C[N@@H+]1C1CC1 ZINC001341731086 889655018 /nfs/dbraw/zinc/65/50/18/889655018.db2.gz BDIMJTUIASIKJW-IUCKATPISA-N 2 0 267.373 -0.159 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)NCC2=CC[NH2+]CC2)n1 ZINC001341755001 889657072 /nfs/dbraw/zinc/65/70/72/889657072.db2.gz XGWSXSSDDABYRB-UHFFFAOYSA-N 2 0 263.345 -0.119 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)C1 ZINC001341748899 889658193 /nfs/dbraw/zinc/65/81/93/889658193.db2.gz UIZQHCPZHABKMC-RVMXOQNASA-N 2 0 266.389 -0.430 20 0 CBADRP [NH3+]CC1(C(=O)N2CCC3(CC[NH2+]C3)CC2)CC(O)C1 ZINC001341777921 889663486 /nfs/dbraw/zinc/66/34/86/889663486.db2.gz NRTDDMIFCSORPK-UHFFFAOYSA-N 2 0 267.373 -0.312 20 0 CBADRP C[NH+](C)CC1(O)CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC001341818902 889668087 /nfs/dbraw/zinc/66/80/87/889668087.db2.gz STRUSLPMLLPVMK-UHFFFAOYSA-N 2 0 298.387 -0.683 20 0 CBADRP O=C(CC[NH2+]CC1CC1)N1CCNCC[NH2+]CC1 ZINC001341842062 889670716 /nfs/dbraw/zinc/67/07/16/889670716.db2.gz ZMIIQDIFURCNPT-UHFFFAOYSA-N 2 0 254.378 -0.603 20 0 CBADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N1CCNCC[NH2+]CC1 ZINC001341842031 889671543 /nfs/dbraw/zinc/67/15/43/889671543.db2.gz YZAQVYQWIMGAOS-NSHDSACASA-N 2 0 256.394 -0.229 20 0 CBADRP O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1CCNCC[NH2+]CC1 ZINC001341836846 889672146 /nfs/dbraw/zinc/67/21/46/889672146.db2.gz AKNKRLQBYNSUGW-CHWSQXEVSA-N 2 0 266.389 -0.462 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001341848610 889673974 /nfs/dbraw/zinc/67/39/74/889673974.db2.gz RHKTTWAGLLWLSQ-NEPJUHHUSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001341951783 889689650 /nfs/dbraw/zinc/68/96/50/889689650.db2.gz RVMZUFRZSISZKK-VXGBXAGGSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001341983079 889694047 /nfs/dbraw/zinc/69/40/47/889694047.db2.gz OEGDBOAUXBOTPO-NDBYEHHHSA-N 2 0 266.389 -0.382 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC001341983093 889694491 /nfs/dbraw/zinc/69/44/91/889694491.db2.gz HLDONIRTBIAPPA-QJPTWQEYSA-N 2 0 255.362 -0.001 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001342110914 889710661 /nfs/dbraw/zinc/71/06/61/889710661.db2.gz HVCIPTBTZQLVPQ-SECBINFHSA-N 2 0 251.334 -0.393 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001342110915 889712010 /nfs/dbraw/zinc/71/20/10/889712010.db2.gz HVCIPTBTZQLVPQ-VIFPVBQESA-N 2 0 251.334 -0.393 20 0 CBADRP O=C(N[C@H]1COC2(C[NH2+]C2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001342127141 889714606 /nfs/dbraw/zinc/71/46/06/889714606.db2.gz SWHUFUHVTJTLJV-GHMZBOCLSA-N 2 0 253.346 -0.377 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001448770418 913373906 /nfs/dbraw/zinc/37/39/06/913373906.db2.gz JRWJYTGJUQQHCG-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC001342175117 889725582 /nfs/dbraw/zinc/72/55/82/889725582.db2.gz CQVZSIZAUJWUTL-KOLCDFICSA-N 2 0 258.366 -0.800 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)NC[C@H]2CCCCC[NH2+]2)=NO1 ZINC001342206507 889732399 /nfs/dbraw/zinc/73/23/99/889732399.db2.gz RXJIXMHVUKFUBN-NXEZZACHSA-N 2 0 254.334 -0.262 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001342222936 889732988 /nfs/dbraw/zinc/73/29/88/889732988.db2.gz ZUEUUSABBWOGKM-YVECIDJPSA-N 2 0 266.389 -0.369 20 0 CBADRP C[C@@]1(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)CCC[NH2+]1 ZINC001342250815 889739393 /nfs/dbraw/zinc/73/93/93/889739393.db2.gz RULHPOULSLLLQH-YPMHNXCESA-N 2 0 255.362 -0.299 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CCC[C@]23CC[NH2+]C3)C1=O ZINC001342277736 889745087 /nfs/dbraw/zinc/74/50/87/889745087.db2.gz ZDIWBYCLKZCKKY-IUODEOHRSA-N 2 0 294.399 -0.462 20 0 CBADRP CN(CCOCC[NH3+])C(=O)c1ccn(CCC[NH3+])n1 ZINC001342320445 889752612 /nfs/dbraw/zinc/75/26/12/889752612.db2.gz KBJVKXZGFIEXCP-UHFFFAOYSA-N 2 0 269.349 -0.721 20 0 CBADRP C[C@@H]1C[C@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)CC[NH2+]1 ZINC001342332865 889755823 /nfs/dbraw/zinc/75/58/23/889755823.db2.gz NHUAKDWTTARSRK-JHJVBQTASA-N 2 0 269.389 -0.053 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001342363592 889762395 /nfs/dbraw/zinc/76/23/95/889762395.db2.gz OZJFYILYYYHTRL-NHCYSSNCSA-N 2 0 268.361 -0.951 20 0 CBADRP CC(C)(CC(N)=O)[NH2+]CCC[NH2+]C(C)(C)CC(N)=O ZINC001342375715 889764005 /nfs/dbraw/zinc/76/40/05/889764005.db2.gz YWTVFJRJBNBLJN-UHFFFAOYSA-N 2 0 272.393 -0.136 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001342391393 889767276 /nfs/dbraw/zinc/76/72/76/889767276.db2.gz FNUSLQGXAHCAHF-RVMXOQNASA-N 2 0 269.389 -0.245 20 0 CBADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[NH2+]C[C@H]1CO ZINC001342437115 889774713 /nfs/dbraw/zinc/77/47/13/889774713.db2.gz COLOOQYNGKCDKG-QWRGUYRKSA-N 2 0 257.378 -0.197 20 0 CBADRP CCN(C(=O)[C@@H]1CCCN(CC[NH3+])C1=O)[C@H]1CC[NH2+]C1 ZINC001342473192 889781944 /nfs/dbraw/zinc/78/19/44/889781944.db2.gz ATPSCFLICXSZGU-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC(OC2C[NH2+]C2)CC1 ZINC001342489416 889785031 /nfs/dbraw/zinc/78/50/31/889785031.db2.gz BXMYZNONCQROMT-ITGUQSILSA-N 2 0 265.357 -0.569 20 0 CBADRP CC1(C)CN(C(=O)C[NH2+]C[C@@H]2CCCO2)C[C@@H]1[NH3+] ZINC001342507420 889786710 /nfs/dbraw/zinc/78/67/10/889786710.db2.gz YURXQBQOCUDOCP-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC001342554516 889791878 /nfs/dbraw/zinc/79/18/78/889791878.db2.gz MBYRUGYQPBNQGU-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@H]1[C@H](NC(=O)c2cn(CCC[NH3+])nn2)CC[N@@H+]1C ZINC001342569262 889791737 /nfs/dbraw/zinc/79/17/37/889791737.db2.gz IQYGXKNCZSVHSQ-VHSXEESVSA-N 2 0 266.349 -0.551 20 0 CBADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC001342620935 889800620 /nfs/dbraw/zinc/80/06/20/889800620.db2.gz DIDRSSOYDRMYNG-OOPCZODUSA-N 2 0 266.389 -0.436 20 0 CBADRP CSCC[C@H]([NH3+])CC(=O)N1CCNCC[NH2+]CC1 ZINC001342614302 889800677 /nfs/dbraw/zinc/80/06/77/889800677.db2.gz IEVHUWJMKQYSPD-NSHDSACASA-N 2 0 274.434 -0.522 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001342630424 889803944 /nfs/dbraw/zinc/80/39/44/889803944.db2.gz QCUPBYZJASWCNY-ZANVPECISA-N 2 0 263.345 -0.280 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001342628409 889805200 /nfs/dbraw/zinc/80/52/00/889805200.db2.gz OYSNZROYMQZZNX-ZDUSSCGKSA-N 2 0 253.346 -0.606 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)C[C@H]1[NH3+] ZINC001342648851 889809459 /nfs/dbraw/zinc/80/94/59/889809459.db2.gz LPEZQMSBRSSNTB-KKOKHZNYSA-N 2 0 252.362 -0.820 20 0 CBADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCNCC[NH2+]CC2)C1(C)C ZINC001342705167 889818600 /nfs/dbraw/zinc/81/86/00/889818600.db2.gz ROTLBOKYTYCAPH-SWLSCSKDSA-N 2 0 298.431 -0.460 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC001342720963 889821179 /nfs/dbraw/zinc/82/11/79/889821179.db2.gz ARFKCVMRAKRWBG-WCQYABFASA-N 2 0 255.362 -0.312 20 0 CBADRP COC[C@@]1(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CCCC[NH2+]1 ZINC001342758337 889823602 /nfs/dbraw/zinc/82/36/02/889823602.db2.gz YKQZFNBVSDJXJN-NQBHXWOUSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N[C@@H]1C[NH2+]CC12CC2 ZINC001342866741 889839271 /nfs/dbraw/zinc/83/92/71/889839271.db2.gz XSWOTBKDNGUEAS-LLVKDONJSA-N 2 0 253.346 -0.377 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001342938792 889847778 /nfs/dbraw/zinc/84/77/78/889847778.db2.gz YSECVXYGUZNEMT-UZWSLXQKSA-N 2 0 255.362 -0.396 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)nn1 ZINC001342941895 889848127 /nfs/dbraw/zinc/84/81/27/889848127.db2.gz MAVXGSUGLPCQDY-IVZWLZJFSA-N 2 0 264.333 -0.750 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)n1 ZINC001342944312 889848338 /nfs/dbraw/zinc/84/83/38/889848338.db2.gz PWOWAFBUEYOJGZ-JFGNBEQYSA-N 2 0 263.345 -0.145 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCC1([NH3+])CCCCC1 ZINC001343022570 889855307 /nfs/dbraw/zinc/85/53/07/889855307.db2.gz QEEUXQAEABIMSB-MNOVXSKESA-N 2 0 257.378 -0.019 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001343035585 889859055 /nfs/dbraw/zinc/85/90/55/889859055.db2.gz YYDUVECMGBYABU-WCQYABFASA-N 2 0 254.378 -0.380 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001343036935 889859528 /nfs/dbraw/zinc/85/95/28/889859528.db2.gz ISQMARFVRWDJAK-XQQFMLRXSA-N 2 0 268.405 -0.136 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)c1c(C[NH3+])cnn1C ZINC001343036985 889859585 /nfs/dbraw/zinc/85/95/85/889859585.db2.gz JSYDPNBZALZAFP-JTQLQIEISA-N 2 0 253.350 -0.018 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001343052425 889862036 /nfs/dbraw/zinc/86/20/36/889862036.db2.gz CERYYXGORLWWNX-BFHYXJOUSA-N 2 0 299.415 -0.020 20 0 CBADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001343372865 889895252 /nfs/dbraw/zinc/89/52/52/889895252.db2.gz DPDPBGYGDVTONT-WQAKAFBOSA-N 2 0 265.357 -0.284 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001343391699 889899154 /nfs/dbraw/zinc/89/91/54/889899154.db2.gz LPVMZXBHTNFKIK-NQBHXWOUSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@@H]1COCCN1CCNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001343421836 889907126 /nfs/dbraw/zinc/90/71/26/889907126.db2.gz RVWUKFGEFRCIAI-YVECIDJPSA-N 2 0 267.373 -0.036 20 0 CBADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C[C@@H](O)C[NH3+])C1 ZINC001343445747 889908672 /nfs/dbraw/zinc/90/86/72/889908672.db2.gz XYKXACOEQJYVDV-CHWSQXEVSA-N 2 0 269.389 -0.114 20 0 CBADRP CN(C(=O)[C@@H]1CCCN(CC[NH3+])C1=O)C1CC[NH+](C)CC1 ZINC001343469364 889915083 /nfs/dbraw/zinc/91/50/83/889915083.db2.gz YWHSKRKLDBAXQH-ZDUSSCGKSA-N 2 0 296.415 -0.264 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001343474313 889915413 /nfs/dbraw/zinc/91/54/13/889915413.db2.gz VGAGYAFVZJWHRT-CHWSQXEVSA-N 2 0 285.388 -0.720 20 0 CBADRP CN(C(=O)[C@H]1CCCN(CC[NH3+])C1=O)C1CC[NH+](C)CC1 ZINC001343469363 889915530 /nfs/dbraw/zinc/91/55/30/889915530.db2.gz YWHSKRKLDBAXQH-CYBMUJFWSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCN2C)CC[C@@H]1[NH3+] ZINC001343486544 889919275 /nfs/dbraw/zinc/91/92/75/889919275.db2.gz KXLSQLFKZCEOKH-GRYCIOLGSA-N 2 0 254.378 -0.524 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@H]1C[N@H+](C)CCN1C ZINC001343492896 889922195 /nfs/dbraw/zinc/92/21/95/889922195.db2.gz WKERLNODCCCXKZ-FVCCEPFGSA-N 2 0 268.405 -0.136 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001343489034 889923342 /nfs/dbraw/zinc/92/33/42/889923342.db2.gz IWUQSTXEMCZBRW-IJLUTSLNSA-N 2 0 256.394 -0.265 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)[C@H](N)CC[NH+](C)C ZINC001343652886 889940460 /nfs/dbraw/zinc/94/04/60/889940460.db2.gz KVJCICZOQQUFDW-GFCCVEGCSA-N 2 0 256.394 -0.277 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)NC[C@@H]2CCC[NH2+]CC2)=NO1 ZINC001343628667 889940768 /nfs/dbraw/zinc/94/07/68/889940768.db2.gz NEWJTXADXVHWEX-NXEZZACHSA-N 2 0 254.334 -0.404 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)N[C@@H]2C[NH2+]CC23CC3)n1 ZINC001343641318 889941000 /nfs/dbraw/zinc/94/10/00/889941000.db2.gz OPNVFRWNMMNBOO-LLVKDONJSA-N 2 0 263.345 -0.286 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)C1(C[NH3+])CC(O)C1 ZINC001343879461 889976207 /nfs/dbraw/zinc/97/62/07/889976207.db2.gz DNTZPECZDBBYTG-UHFFFAOYSA-N 2 0 269.389 -0.114 20 0 CBADRP Cn1nccc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001448819152 913402587 /nfs/dbraw/zinc/40/25/87/913402587.db2.gz DUZXTHHCBPVDRG-YPMHNXCESA-N 2 0 295.387 -0.919 20 0 CBADRP O=C([C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CCOC2(C[NH2+]C2)C1 ZINC001344093767 890004121 /nfs/dbraw/zinc/00/41/21/890004121.db2.gz UYRCHDSHTMSZSL-OUAUKWLOSA-N 2 0 251.330 -0.957 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001344128462 890005544 /nfs/dbraw/zinc/00/55/44/890005544.db2.gz QCZOMSIHBOWBOP-VOAKCMCISA-N 2 0 294.399 -0.702 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC001344386088 890019329 /nfs/dbraw/zinc/01/93/29/890019329.db2.gz DEBPMXIREAPICX-STQMWFEESA-N 2 0 265.357 -0.232 20 0 CBADRP O=C([C@H]1[NH2+]CC12CCOCC2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001344410928 890022183 /nfs/dbraw/zinc/02/21/83/890022183.db2.gz NGNNOTKEWYHXMY-GARJFASQSA-N 2 0 251.330 -0.672 20 0 CBADRP O=C(CC[C@@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@H]1CO ZINC001344520074 890035911 /nfs/dbraw/zinc/03/59/11/890035911.db2.gz WWFULZDDYZOXSC-RYUDHWBXSA-N 2 0 255.362 -0.441 20 0 CBADRP O=C(CC[C@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@H]1CO ZINC001344520071 890037208 /nfs/dbraw/zinc/03/72/08/890037208.db2.gz WWFULZDDYZOXSC-NEPJUHHUSA-N 2 0 255.362 -0.441 20 0 CBADRP CC1(C)CN(C(=O)[C@@]2(C[NH3+])CCCOC2)C[C@H]1[NH3+] ZINC001344766929 890062425 /nfs/dbraw/zinc/06/24/25/890062425.db2.gz SQFMFATXVNHWLF-ZWNOBZJWSA-N 2 0 255.362 -0.062 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001344849012 890073503 /nfs/dbraw/zinc/07/35/03/890073503.db2.gz YLPXJTNSGLVOHA-NOZJJQNGSA-N 2 0 263.345 -0.422 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1NC(=O)CC12CC[NH2+]CC2 ZINC001344860339 890077963 /nfs/dbraw/zinc/07/79/63/890077963.db2.gz CQLSYCHBAXREHV-SNVBAGLBSA-N 2 0 266.345 -0.630 20 0 CBADRP O=C(NCCCCCN1CC[NH2+]CC1)C12CC(C1)C[NH2+]2 ZINC001344918969 890079433 /nfs/dbraw/zinc/07/94/33/890079433.db2.gz AUWVHQMXGLTRNP-UHFFFAOYSA-N 2 0 280.416 -0.070 20 0 CBADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)N1CCNCC[NH2+]CC1 ZINC001344963336 890087816 /nfs/dbraw/zinc/08/78/16/890087816.db2.gz OTKMOGQTVPLQHG-NEPJUHHUSA-N 2 0 256.394 -0.229 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@@H](CC[NH3+])C1)c1cnn(C)c1 ZINC001345000573 890091050 /nfs/dbraw/zinc/09/10/50/890091050.db2.gz WFFULEIWGPVFQP-PWSUYJOCSA-N 2 0 265.361 -0.122 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@H](CC[NH3+])C1)c1cnn(C)c1 ZINC001345000572 890091176 /nfs/dbraw/zinc/09/11/76/890091176.db2.gz WFFULEIWGPVFQP-JQWIXIFHSA-N 2 0 265.361 -0.122 20 0 CBADRP C[C@@H]1CN(C(=O)c2c(C[NH3+])cnn2C)CC[C@@H]1C[NH3+] ZINC001345010805 890091461 /nfs/dbraw/zinc/09/14/61/890091461.db2.gz KZLBLXWVUMGLLL-NXEZZACHSA-N 2 0 265.361 -0.064 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC001345163208 890106417 /nfs/dbraw/zinc/10/64/17/890106417.db2.gz ACARZXYLMVAMCP-TUAOUCFPSA-N 2 0 255.362 -0.001 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C3=NO[C@@H](C[NH3+])C3)C[C@]2(C)C1 ZINC001345390348 890124389 /nfs/dbraw/zinc/12/43/89/890124389.db2.gz BPTGLTPDFLPZLI-BREBYQMCSA-N 2 0 266.345 -0.500 20 0 CBADRP COC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC[NH2+]CC1 ZINC001345512536 890138177 /nfs/dbraw/zinc/13/81/77/890138177.db2.gz AAHWIYQPTKKGJS-OUAUKWLOSA-N 2 0 253.346 -0.236 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCC[NH+]1CCCC1 ZINC001345536150 890139617 /nfs/dbraw/zinc/13/96/17/890139617.db2.gz JLJNAJHQXFVGPY-KGLIPLIRSA-N 2 0 280.416 -0.023 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCC(=O)NC2CC2)CC1 ZINC001345604594 890145297 /nfs/dbraw/zinc/14/52/97/890145297.db2.gz CKKYGPHHEHCVDE-CQSZACIVSA-N 2 0 298.431 -0.757 20 0 CBADRP Cc1n[nH]cc1CCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001345619383 890146326 /nfs/dbraw/zinc/14/63/26/890146326.db2.gz RKTPBFPJGLCGCN-OAHLLOKOSA-N 2 0 295.431 -0.151 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001345715921 890154597 /nfs/dbraw/zinc/15/45/97/890154597.db2.gz PJCXBZGWDCJICU-GVXVVHGQSA-N 2 0 252.362 -0.852 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001345727388 890157150 /nfs/dbraw/zinc/15/71/50/890157150.db2.gz KOVZWWCZLPNZFN-CWSCBRNRSA-N 2 0 269.345 -0.475 20 0 CBADRP C[N@@H+]1CCCC[C@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001345821752 890168945 /nfs/dbraw/zinc/16/89/45/890168945.db2.gz FILFEXRNWUZNKW-VHSXEESVSA-N 2 0 254.334 -0.310 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC001345821753 890169800 /nfs/dbraw/zinc/16/98/00/890169800.db2.gz FILFEXRNWUZNKW-ZJUUUORDSA-N 2 0 254.334 -0.310 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC001345911287 890177517 /nfs/dbraw/zinc/17/75/17/890177517.db2.gz IMXLNLGQCCYSJV-AVGNSLFASA-N 2 0 296.415 -0.312 20 0 CBADRP CC(=O)NC[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC001346016595 890194562 /nfs/dbraw/zinc/19/45/62/890194562.db2.gz CZMNMVXSMQYSGW-CQSZACIVSA-N 2 0 268.405 -0.260 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(Cc2nc(C(C)(C)[NH3+])no2)CCO1 ZINC001346017001 890196066 /nfs/dbraw/zinc/19/60/66/890196066.db2.gz HTIMJGYETFDOMN-IUCAKERBSA-N 2 0 269.349 -0.189 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)N3CC[NH2+]CC3)C[C@@H]21 ZINC001346018230 890198069 /nfs/dbraw/zinc/19/80/69/890198069.db2.gz SRBIAISMOCNPRT-RWMBFGLXSA-N 3 0 266.389 -0.523 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)N3CC[NH2+]CC3)C[C@H]21 ZINC001346018232 890198363 /nfs/dbraw/zinc/19/83/63/890198363.db2.gz SRBIAISMOCNPRT-YNEHKIRRSA-N 3 0 266.389 -0.523 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC001346029093 890199787 /nfs/dbraw/zinc/19/97/87/890199787.db2.gz SRFROWNUXSBNDD-CABCVRRESA-N 3 0 282.432 -0.280 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC001346104652 890214361 /nfs/dbraw/zinc/21/43/61/890214361.db2.gz CPPKLWDJYQYFEL-GXTWGEPZSA-N 2 0 266.389 -0.650 20 0 CBADRP CC[NH+]1CCN(CC[NH2+]C[C@@H](O)CSC)CC1 ZINC001346181955 890232701 /nfs/dbraw/zinc/23/27/01/890232701.db2.gz TUOIFWWLEFLTJK-GFCCVEGCSA-N 2 0 261.435 -0.063 20 0 CBADRP C[NH2+]CCCC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001346229686 890245354 /nfs/dbraw/zinc/24/53/54/890245354.db2.gz WIGVRQIBOWLZCM-NEPJUHHUSA-N 2 0 256.394 -0.264 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@H]1C[N@H+](C)CCN1C ZINC001346228920 890245589 /nfs/dbraw/zinc/24/55/89/890245589.db2.gz OBQLAUZNPILTOB-GRYCIOLGSA-N 2 0 254.378 -0.511 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC001346317645 890268460 /nfs/dbraw/zinc/26/84/60/890268460.db2.gz AKMHQVGGMFHRKV-STQMWFEESA-N 2 0 268.405 -0.262 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(C[NH3+])CC(O)C3)[C@H]2C1 ZINC001346384988 890281085 /nfs/dbraw/zinc/28/10/85/890281085.db2.gz LSQHNKNGDSJEOR-BLMOIABJSA-N 2 0 267.373 -0.457 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCNCC[NH2+]CC1 ZINC001346390598 890282192 /nfs/dbraw/zinc/28/21/92/890282192.db2.gz JAMFWZUULZJSQR-JSGCOSHPSA-N 2 0 295.431 -0.327 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C[NH3+])C1CC1 ZINC001346477383 890300651 /nfs/dbraw/zinc/30/06/51/890300651.db2.gz DILIBSYXFPZIPR-WDEREUQCSA-N 2 0 256.350 -0.647 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N(CC[NH3+])CCO)C1 ZINC001346503059 890306715 /nfs/dbraw/zinc/30/67/15/890306715.db2.gz BQGWKSGMOXXPHD-PHIMTYICSA-N 2 0 258.366 -0.711 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC001346514670 890313174 /nfs/dbraw/zinc/31/31/74/890313174.db2.gz HWFVKPXQOJJKGG-TXEJJXNPSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)NCCOCCC[NH3+] ZINC001346525676 890314574 /nfs/dbraw/zinc/31/45/74/890314574.db2.gz GWFPBCVWBMYONT-VXGBXAGGSA-N 2 0 272.393 -0.103 20 0 CBADRP CCN(C(=O)[C@H](C)[C@@H](O)C[NH2+]C)[C@@H]1CCC[NH2+]C1 ZINC001346561580 890325781 /nfs/dbraw/zinc/32/57/81/890325781.db2.gz VBKANMRUIQEBSC-UTUOFQBUSA-N 2 0 257.378 -0.197 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001346675407 890340493 /nfs/dbraw/zinc/34/04/93/890340493.db2.gz KFQXFWYAZCXXPF-SNVBAGLBSA-N 2 0 258.366 -0.399 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H]1CNC(=O)C1 ZINC001347103922 890409289 /nfs/dbraw/zinc/40/92/89/890409289.db2.gz HRZPPDAYPSDNHA-ZDUSSCGKSA-N 2 0 268.405 -0.308 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001347156681 890418498 /nfs/dbraw/zinc/41/84/98/890418498.db2.gz ALLGFEMVIPUDHC-QWHCGFSZSA-N 2 0 284.404 -0.896 20 0 CBADRP CC[C@]1(C(=O)N2CCOC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001347182144 890427395 /nfs/dbraw/zinc/42/73/95/890427395.db2.gz YPJIQMISLYMECJ-LBPRGKRZSA-N 2 0 253.346 -0.423 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001448912113 913456759 /nfs/dbraw/zinc/45/67/59/913456759.db2.gz TZEWNTMGAXXBFH-VXGBXAGGSA-N 2 0 289.420 -0.588 20 0 CBADRP C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001448912109 913457562 /nfs/dbraw/zinc/45/75/62/913457562.db2.gz TZEWNTMGAXXBFH-NWDGAFQWSA-N 2 0 289.420 -0.588 20 0 CBADRP C[C@H](F)CC[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001448949192 913466322 /nfs/dbraw/zinc/46/63/22/913466322.db2.gz DTPORZDNUMILSX-NWDGAFQWSA-N 2 0 275.368 -0.103 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001348416452 890622499 /nfs/dbraw/zinc/62/24/99/890622499.db2.gz XFBRWBVGMLNGHX-QWHCGFSZSA-N 2 0 268.405 -0.167 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001348595037 890658790 /nfs/dbraw/zinc/65/87/90/890658790.db2.gz HBFUQVJPNKMYME-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H]1C ZINC001448980976 913476231 /nfs/dbraw/zinc/47/62/31/913476231.db2.gz OIILRSMXTALDLY-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC001348943497 890730545 /nfs/dbraw/zinc/73/05/45/890730545.db2.gz MNBSQGLKCRCQTJ-GHMZBOCLSA-N 2 0 268.361 -0.948 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001348958827 890738158 /nfs/dbraw/zinc/73/81/58/890738158.db2.gz YOZVUZSJIMVIJM-HOCLYGCPSA-N 3 0 296.459 -0.331 20 0 CBADRP CN1CCN(C(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC001349130661 890766028 /nfs/dbraw/zinc/76/60/28/890766028.db2.gz FCRNLCHJUVKKNE-UHFFFAOYSA-N 2 0 252.322 -0.986 20 0 CBADRP C[C@H](CCO)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001349326242 890797686 /nfs/dbraw/zinc/79/76/86/890797686.db2.gz VHCAQSRRTRFEGW-KBPBESRZSA-N 2 0 273.421 -0.407 20 0 CBADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]([NH2+]C)c2cnn(C)c2)C1 ZINC001349372510 890801802 /nfs/dbraw/zinc/80/18/02/890801802.db2.gz NUQBTIGGEVXWMV-PWSUYJOCSA-N 2 0 265.361 -0.252 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC1=CC[NH+](C)CC1 ZINC001349403125 890808752 /nfs/dbraw/zinc/80/87/52/890808752.db2.gz GTSGARREIABXCH-GXTWGEPZSA-N 2 0 278.400 -0.247 20 0 CBADRP CC[NH2+]CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001349420270 890812563 /nfs/dbraw/zinc/81/25/63/890812563.db2.gz IANJTAFCZPEDDX-WDEREUQCSA-N 2 0 251.334 -0.717 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC001349457912 890818363 /nfs/dbraw/zinc/81/83/63/890818363.db2.gz KOQYIPWMQOBKCO-SNVBAGLBSA-N 2 0 266.349 -0.692 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN(CCN3CC[NH2+]CC3)CC2)C1 ZINC001349486991 890824533 /nfs/dbraw/zinc/82/45/33/890824533.db2.gz OPZMXCTWTKVKMO-MRXNPFEDSA-N 2 0 295.475 -0.397 20 0 CBADRP [NH3+][C@H]1CC=C(C(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC001349595634 890842879 /nfs/dbraw/zinc/84/28/79/890842879.db2.gz BTKZNRIZAYXSIF-LBPRGKRZSA-N 2 0 267.373 -0.003 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC001349600440 890846674 /nfs/dbraw/zinc/84/66/74/890846674.db2.gz UKQPGATVVFXGAD-VWYCJHECSA-N 2 0 259.325 -0.571 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC001349600438 890846941 /nfs/dbraw/zinc/84/69/41/890846941.db2.gz UKQPGATVVFXGAD-OUAUKWLOSA-N 2 0 259.325 -0.571 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC001349608764 890849344 /nfs/dbraw/zinc/84/93/44/890849344.db2.gz UNEARBYKIHGRLB-UHFFFAOYSA-N 2 0 281.360 -0.637 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001349625577 890851838 /nfs/dbraw/zinc/85/18/38/890851838.db2.gz VBAWSSRAIOWVPS-UHFFFAOYSA-N 2 0 296.375 -0.891 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC001349808200 890896013 /nfs/dbraw/zinc/89/60/13/890896013.db2.gz MFZBDSHADDDCHO-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001349994640 890921280 /nfs/dbraw/zinc/92/12/80/890921280.db2.gz LQNJYZRSIVKEQY-UPJWGTAASA-N 2 0 296.415 -0.312 20 0 CBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC001350041694 890926697 /nfs/dbraw/zinc/92/66/97/890926697.db2.gz MERFHWFOTUEBOG-UHFFFAOYSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC001350345356 890968497 /nfs/dbraw/zinc/96/84/97/890968497.db2.gz NMIYYXNCPUVNND-XIKARTHZSA-N 2 0 294.399 -0.735 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC001350646539 891019939 /nfs/dbraw/zinc/01/99/39/891019939.db2.gz KGHZTJDKXYZZKR-GRYCIOLGSA-N 3 0 254.378 -0.619 20 0 CBADRP C[C@@H](C(=O)N1CC(N2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001350728270 891030705 /nfs/dbraw/zinc/03/07/05/891030705.db2.gz JTWSWQJZETUWTE-NSHDSACASA-N 2 0 254.378 -0.605 20 0 CBADRP CN(C[C@@H](O)C[NH2+]CC1CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001449162235 913526251 /nfs/dbraw/zinc/52/62/51/913526251.db2.gz PBEJQJSFCNUPOM-ZDUSSCGKSA-N 2 0 281.400 -0.099 20 0 CBADRP [NH3+][C@H](c1cn(C[C@@H]2C[NH2+]CCO2)nn1)[C@@H]1CCCO1 ZINC001351755886 891180440 /nfs/dbraw/zinc/18/04/40/891180440.db2.gz KPHXOZZCVXAXRB-ZMLRMANQSA-N 2 0 267.333 -0.555 20 0 CBADRP COC[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001449181655 913531041 /nfs/dbraw/zinc/53/10/41/913531041.db2.gz DNSWUKGJVSATPJ-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CS(=O)(=O)N1CCC([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001352178484 891233713 /nfs/dbraw/zinc/23/37/13/891233713.db2.gz MZTNCISCVIQVJM-MGCOHNPYSA-N 2 0 261.391 -0.263 20 0 CBADRP CO[C@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001449196853 913539848 /nfs/dbraw/zinc/53/98/48/913539848.db2.gz UNYAPSAQKSXBRK-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP [NH3+]Cc1ncc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cn1 ZINC001352848688 891309434 /nfs/dbraw/zinc/30/94/34/891309434.db2.gz BNAUZUFLPPXSRM-GWCFXTLKSA-N 2 0 261.329 -0.111 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)nn1 ZINC001352865407 891311444 /nfs/dbraw/zinc/31/14/44/891311444.db2.gz YYFZKABFDQAJRH-PWSUYJOCSA-N 2 0 264.333 -0.749 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC1CC[NH2+]CC1 ZINC001352990424 891338498 /nfs/dbraw/zinc/33/84/98/891338498.db2.gz ZXKGOTWYDCDKSA-AAEUAGOBSA-N 2 0 266.389 -0.510 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)C1CC[NH2+]CC1 ZINC001352987086 891338692 /nfs/dbraw/zinc/33/86/92/891338692.db2.gz FOPKRHFHIDPNRH-YPMHNXCESA-N 2 0 266.389 -0.415 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@H](C[NH3+])C1CC1 ZINC001353005412 891339790 /nfs/dbraw/zinc/33/97/90/891339790.db2.gz RTXNYBHEIFAFBQ-JLLWLGSASA-N 2 0 252.362 -0.772 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)C[C@@H](C)[NH2+]1 ZINC001353005678 891340771 /nfs/dbraw/zinc/34/07/71/891340771.db2.gz VRAIKNUGNUDCRJ-VXGBXAGGSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001353148036 891367358 /nfs/dbraw/zinc/36/73/58/891367358.db2.gz FOGKKZHMZHYRNR-SLEUVZQESA-N 2 0 296.415 -0.489 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001353148038 891367950 /nfs/dbraw/zinc/36/79/50/891367950.db2.gz FOGKKZHMZHYRNR-TYNCELHUSA-N 2 0 296.415 -0.489 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001353237215 891385070 /nfs/dbraw/zinc/38/50/70/891385070.db2.gz BMHOKDLYNZVXCH-CHWSQXEVSA-N 2 0 294.399 -0.450 20 0 CBADRP C[NH+]1CCN(CC[NH2+]C[C@@H](O)C2(O)CCCC2)CC1 ZINC001353245155 891387050 /nfs/dbraw/zinc/38/70/50/891387050.db2.gz DPNFASARYHRVEQ-CYBMUJFWSA-N 2 0 271.405 -0.511 20 0 CBADRP C[C@H](CC[NH2+]C[C@@H](O)C1(O)CCOCC1)[NH+](C)C ZINC001353288459 891396098 /nfs/dbraw/zinc/39/60/98/891396098.db2.gz ZXQBQEVDCZPLQG-VXGBXAGGSA-N 2 0 260.378 -0.181 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2=CC[N@H+](C)CC2)CC1 ZINC001353300265 891398248 /nfs/dbraw/zinc/39/82/48/891398248.db2.gz LUFJISQPTLLTKK-HNNXBMFYSA-N 3 0 282.432 -0.554 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001353415606 891422992 /nfs/dbraw/zinc/42/29/92/891422992.db2.gz HVYPEORDRNVHAO-YNEHKIRRSA-N 2 0 281.404 -0.526 20 0 CBADRP [NH3+]CCNC(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001353417544 891423387 /nfs/dbraw/zinc/42/33/87/891423387.db2.gz ZVYGAGPDDDBCCU-SNVBAGLBSA-N 2 0 256.350 -0.516 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)CC[NH3+] ZINC001353426131 891425740 /nfs/dbraw/zinc/42/57/40/891425740.db2.gz VSAXKOFBISPCFQ-WDEREUQCSA-N 2 0 258.366 -0.256 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001353440953 891428817 /nfs/dbraw/zinc/42/88/17/891428817.db2.gz BBTRDEBCMQSBBS-CYBMUJFWSA-N 2 0 270.377 -0.111 20 0 CBADRP [NH3+][C@H](CO)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC001353481628 891433567 /nfs/dbraw/zinc/43/35/67/891433567.db2.gz GSAUCNQOQXETOC-CQSZACIVSA-N 2 0 277.368 -0.129 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)C[C@@H](O)C[NH3+])n1 ZINC001353525846 891440573 /nfs/dbraw/zinc/44/05/73/891440573.db2.gz DAGXDBJOXYOFGP-SECBINFHSA-N 2 0 255.322 -0.907 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1C[NH2+]CCN1C)C(C)C ZINC001353527492 891440625 /nfs/dbraw/zinc/44/06/25/891440625.db2.gz VPPIJYAZQJAMNR-GFCCVEGCSA-N 2 0 256.394 -0.264 20 0 CBADRP [NH3+][C@H]1CCC[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC001353518647 891441070 /nfs/dbraw/zinc/44/10/70/891441070.db2.gz SCSIDPMJXMSRQD-WDEREUQCSA-N 2 0 268.361 -0.360 20 0 CBADRP [NH3+]CCN(CCO)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001353512715 891441170 /nfs/dbraw/zinc/44/11/70/891441170.db2.gz FBRFMNMEUIVDPI-NSHDSACASA-N 2 0 258.366 -0.519 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001353548547 891442819 /nfs/dbraw/zinc/44/28/19/891442819.db2.gz KOJJIYAKBVAZMQ-UPJWGTAASA-N 2 0 268.405 -0.121 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001353548546 891444612 /nfs/dbraw/zinc/44/46/12/891444612.db2.gz KOJJIYAKBVAZMQ-JHJVBQTASA-N 2 0 268.405 -0.121 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001353548548 891444651 /nfs/dbraw/zinc/44/46/51/891444651.db2.gz KOJJIYAKBVAZMQ-XQQFMLRXSA-N 2 0 268.405 -0.121 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001353591566 891450560 /nfs/dbraw/zinc/45/05/60/891450560.db2.gz PAYJCNAGIOQYKU-QJPTWQEYSA-N 2 0 254.378 -0.667 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001353632802 891452634 /nfs/dbraw/zinc/45/26/34/891452634.db2.gz FTUFGAWVLOTYIZ-OBJOEFQTSA-N 2 0 269.389 -0.195 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001353602739 891452948 /nfs/dbraw/zinc/45/29/48/891452948.db2.gz SKNSTAMRQWLDTB-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@]1(C(=O)N2CCC[C@H](CC[NH3+])C2)C[C@@H](O)C[NH2+]1 ZINC001353635503 891455866 /nfs/dbraw/zinc/45/58/66/891455866.db2.gz YLEWLNIKARPZRZ-NQBHXWOUSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@@]1(C[NH3+])CCN(C(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001353635354 891455977 /nfs/dbraw/zinc/45/59/77/891455977.db2.gz XXHZTUGWOWRVLR-AWEZNQCLSA-N 2 0 269.389 -0.112 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N[C@H]2CC23CC[NH2+]CC3)C1=O ZINC001353655003 891456803 /nfs/dbraw/zinc/45/68/03/891456803.db2.gz NCTJVVUGSUROOM-RYUDHWBXSA-N 2 0 294.399 -0.558 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N[C@@H]2CC23CC[NH2+]CC3)C1=O ZINC001353655002 891456890 /nfs/dbraw/zinc/45/68/90/891456890.db2.gz NCTJVVUGSUROOM-NWDGAFQWSA-N 2 0 294.399 -0.558 20 0 CBADRP O=C(N1CCN([C@@H]2CC[NH2+]C2)CC1)C12CC(C1)C[NH2+]2 ZINC001353645041 891456971 /nfs/dbraw/zinc/45/69/71/891456971.db2.gz GEJPWYGVSNDDFT-MBHSVXNSSA-N 2 0 264.373 -0.756 20 0 CBADRP CC(C)N(CCN(C)CC(N)=O)C(=O)C1CC[NH+](C)CC1 ZINC001449264711 913560230 /nfs/dbraw/zinc/56/02/30/913560230.db2.gz GMLYFHUWKKJHKJ-UHFFFAOYSA-N 2 0 298.431 -0.018 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC001354145097 891524613 /nfs/dbraw/zinc/52/46/13/891524613.db2.gz KFOCJJQAVYAMDR-SDDRHHMPSA-N 2 0 269.389 -0.006 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CCC3(C[NH2+]C3)CC2)C1=O ZINC001354190275 891530632 /nfs/dbraw/zinc/53/06/32/891530632.db2.gz FUUPMPBBRDKWJB-GFCCVEGCSA-N 2 0 294.399 -0.604 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001449319996 913567281 /nfs/dbraw/zinc/56/72/81/913567281.db2.gz DJEXLFZHOSYPFE-LLVKDONJSA-N 2 0 286.420 -0.068 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001449319998 913569446 /nfs/dbraw/zinc/56/94/46/913569446.db2.gz DJEXLFZHOSYPFE-NSHDSACASA-N 2 0 286.420 -0.068 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001354343370 891568349 /nfs/dbraw/zinc/56/83/49/891568349.db2.gz OVLKUMNQUSYLNL-CHWSQXEVSA-N 2 0 269.389 -0.066 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001354410771 891577535 /nfs/dbraw/zinc/57/75/35/891577535.db2.gz PXCUDXFFFYEUMA-CYBMUJFWSA-N 2 0 273.377 -0.815 20 0 CBADRP [NH3+]C1(CC(=O)N2CCC[C@@H]([NH2+]CCO)C2)CCC1 ZINC001354435790 891580254 /nfs/dbraw/zinc/58/02/54/891580254.db2.gz HVLBRMGIPIELHU-LLVKDONJSA-N 2 0 255.362 -0.169 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001354451000 891581952 /nfs/dbraw/zinc/58/19/52/891581952.db2.gz UPUPYEZRUQSHNM-AAEUAGOBSA-N 2 0 255.362 -0.299 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC001354462310 891584925 /nfs/dbraw/zinc/58/49/25/891584925.db2.gz NPSTZEKMHMYWBJ-TZMCWYRMSA-N 2 0 265.357 -0.101 20 0 CBADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001354501143 891590263 /nfs/dbraw/zinc/59/02/63/891590263.db2.gz YYOPGPYEKVBGLX-NOZJJQNGSA-N 2 0 268.361 -0.255 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001354683510 891605571 /nfs/dbraw/zinc/60/55/71/891605571.db2.gz OMIRKMKLUIDYPX-CHWSQXEVSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001354682834 891606787 /nfs/dbraw/zinc/60/67/87/891606787.db2.gz IKRONHQFGPIENO-WCABBAIRSA-N 2 0 263.345 -0.176 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001354698313 891609468 /nfs/dbraw/zinc/60/94/68/891609468.db2.gz XSQVZEYWEJWHNZ-WDEREUQCSA-N 2 0 255.362 -0.144 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001354780453 891615058 /nfs/dbraw/zinc/61/50/58/891615058.db2.gz CEJPIBHBPRGKQR-CSMHCCOUSA-N 2 0 269.267 -0.302 20 0 CBADRP [NH3+][C@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC001354781722 891616016 /nfs/dbraw/zinc/61/60/16/891616016.db2.gz NUERPRKRYSNCSB-BQBZGAKWSA-N 2 0 267.251 -0.941 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001355042126 891639508 /nfs/dbraw/zinc/63/95/08/891639508.db2.gz HZGFLQNRFFRNBX-MNOVXSKESA-N 2 0 268.361 -0.948 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC001355041895 891639523 /nfs/dbraw/zinc/63/95/23/891639523.db2.gz FPUCKEOGPWSDJM-GVXVVHGQSA-N 2 0 253.346 -0.580 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001355496504 891685189 /nfs/dbraw/zinc/68/51/89/891685189.db2.gz BOJJBPXUTYLHGG-KLBPJQLPSA-N 2 0 268.361 -0.905 20 0 CBADRP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C[C@H]1C[NH2+]CCO1 ZINC001355598860 891695338 /nfs/dbraw/zinc/69/53/38/891695338.db2.gz IVZAGUFKMVLBNX-NTZNESFSSA-N 2 0 253.346 -0.295 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001355817803 891707596 /nfs/dbraw/zinc/70/75/96/891707596.db2.gz DPTQFSSPHISFAH-RYUDHWBXSA-N 2 0 256.394 -0.134 20 0 CBADRP COC[C@@]1(C(=O)NC2CC3(CC([NH3+])C3)C2)CC[NH2+]C1 ZINC001356175142 891735071 /nfs/dbraw/zinc/73/50/71/891735071.db2.gz HKDOWNVXXKPLAY-YTNLPCBDSA-N 2 0 267.373 -0.001 20 0 CBADRP [NH3+]C1(CC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC001356228489 891739635 /nfs/dbraw/zinc/73/96/35/891739635.db2.gz RYTGSXCGWFAXEO-NEPJUHHUSA-N 2 0 267.373 -0.075 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001356369420 891751975 /nfs/dbraw/zinc/75/19/75/891751975.db2.gz JRFBJZXHNDVBEA-CYBMUJFWSA-N 2 0 296.415 -0.358 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001356439236 891758824 /nfs/dbraw/zinc/75/88/24/891758824.db2.gz RVRAYPFFYVICCM-SNVBAGLBSA-N 2 0 280.372 -0.806 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001356498040 891772021 /nfs/dbraw/zinc/77/20/21/891772021.db2.gz APIMYOQRAYXUPK-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP C[NH+]1CCN(CCC[NH2+]C[C@H](O)CC(C)(C)O)CC1 ZINC001356544289 891777059 /nfs/dbraw/zinc/77/70/59/891777059.db2.gz CZOJMTPZOAUBSN-CYBMUJFWSA-N 2 0 273.421 -0.265 20 0 CBADRP O=C(C[NH2+]C[C@@H](O)C1CC1)NCC[NH+]1CCCCC1 ZINC001357211150 891862472 /nfs/dbraw/zinc/86/24/72/891862472.db2.gz SRZRKWWRZDASEJ-CYBMUJFWSA-N 2 0 269.389 -0.051 20 0 CBADRP C[C@]1(C(=O)NCCC[NH+]2CCCC2)C[C@@H](O)C[NH2+]1 ZINC001357338793 891872058 /nfs/dbraw/zinc/87/20/58/891872058.db2.gz XEDLGJPHUVDHRK-DGCLKSJQSA-N 2 0 255.362 -0.299 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001357346147 891872462 /nfs/dbraw/zinc/87/24/62/891872462.db2.gz HNGWZCDQQLNUGI-GXFFZTMASA-N 2 0 269.389 -0.054 20 0 CBADRP C[NH2+]C1(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CCC1 ZINC001357431182 891893252 /nfs/dbraw/zinc/89/32/52/891893252.db2.gz PMYHJOBABJFTOQ-GFCCVEGCSA-N 2 0 268.405 -0.119 20 0 CBADRP C[NH2+]CCN(C(=O)NCCCN1CC[NH2+]CC1)C(C)C ZINC001357434661 891894377 /nfs/dbraw/zinc/89/43/77/891894377.db2.gz JCYFNKDKXPWKQD-UHFFFAOYSA-N 2 0 285.436 -0.079 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC001357433471 891894428 /nfs/dbraw/zinc/89/44/28/891894428.db2.gz BTAXQQAWSLNKRO-LLVKDONJSA-N 2 0 269.393 -0.811 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)NCCC[NH2+]C1CC1 ZINC001357436355 891894440 /nfs/dbraw/zinc/89/44/40/891894440.db2.gz SLLLORKPCQSPSY-LBPRGKRZSA-N 2 0 270.377 -0.242 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC001357465142 891898004 /nfs/dbraw/zinc/89/80/04/891898004.db2.gz WOYRPCDSYPOLNP-LBPRGKRZSA-N 2 0 266.389 -0.413 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001357471370 891900138 /nfs/dbraw/zinc/90/01/38/891900138.db2.gz DPBJPKQSADQMKY-USZNOCQGSA-N 2 0 255.362 -0.587 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001357472118 891900502 /nfs/dbraw/zinc/90/05/02/891900502.db2.gz LWWZEPVVEZDIKO-VXGBXAGGSA-N 2 0 255.362 -0.456 20 0 CBADRP C[C@@H](CCC[NH3+])NC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001357474775 891903192 /nfs/dbraw/zinc/90/31/92/891903192.db2.gz QSOQPCUSWHLXGQ-UWVGGRQHSA-N 2 0 268.361 -0.950 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]CC1)N1CCNCC[NH2+]CC1 ZINC001357484246 891904298 /nfs/dbraw/zinc/90/42/98/891904298.db2.gz QJZCSNZZFDTBIL-LBPRGKRZSA-N 2 0 269.393 -0.667 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC001357533107 891909413 /nfs/dbraw/zinc/90/94/13/891909413.db2.gz VTEBTDQFSZCTQA-LLVKDONJSA-N 3 0 255.366 -0.929 20 0 CBADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001357619649 891919581 /nfs/dbraw/zinc/91/95/81/891919581.db2.gz OOYQGLXWAUDKCK-ZWNOBZJWSA-N 2 0 257.378 -0.019 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C[C@@H]1C[NH3+] ZINC001357620288 891920047 /nfs/dbraw/zinc/92/00/47/891920047.db2.gz UTQSCJSKWPIAQE-FRRDWIJNSA-N 2 0 296.415 -0.373 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C[C@H]1C[NH3+] ZINC001357620289 891920494 /nfs/dbraw/zinc/92/04/94/891920494.db2.gz UTQSCJSKWPIAQE-JHJVBQTASA-N 2 0 296.415 -0.373 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC001357613689 891921537 /nfs/dbraw/zinc/92/15/37/891921537.db2.gz YVUBOCNHFSZJNM-IJLUTSLNSA-N 2 0 255.362 -0.313 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001357686846 891929578 /nfs/dbraw/zinc/92/95/78/891929578.db2.gz AWVFGVSPFLIPSG-NSHDSACASA-N 2 0 272.393 -0.138 20 0 CBADRP O=C(N[C@H]1COC2(C[NH2+]C2)C1)C12CC[NH+](CC1)C2 ZINC001357741071 891933449 /nfs/dbraw/zinc/93/34/49/891933449.db2.gz IWSUQPUGDRVBOO-SNVBAGLBSA-N 2 0 251.330 -0.671 20 0 CBADRP C[C@H]1[NH2+]CCn2c(C(=O)NCC3(O)C[NH2+]C3)ccc21 ZINC001357821030 891937048 /nfs/dbraw/zinc/93/70/48/891937048.db2.gz OUMGZFQLKXFTCX-SECBINFHSA-N 2 0 264.329 -0.784 20 0 CBADRP [NH3+]C[C@@H](O)CNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC001357861430 891940127 /nfs/dbraw/zinc/94/01/27/891940127.db2.gz ONMNXPQWVSEQDP-GFCCVEGCSA-N 2 0 263.341 -0.689 20 0 CBADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001357846990 891940294 /nfs/dbraw/zinc/94/02/94/891940294.db2.gz PRBQKZWQDKKLFD-UWVGGRQHSA-N 2 0 255.362 -0.003 20 0 CBADRP C[NH2+]CCOCCNC(=O)COC1CC[NH+](C)CC1 ZINC001357924005 891946679 /nfs/dbraw/zinc/94/66/79/891946679.db2.gz YYWXCBMRHCEOKK-UHFFFAOYSA-N 2 0 273.377 -0.551 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)C1=CCC[NH2+]CC1 ZINC001357923827 891947831 /nfs/dbraw/zinc/94/78/31/891947831.db2.gz WQLNFWOGKJFNNN-UHFFFAOYSA-N 2 0 255.362 -0.009 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001357969177 891954295 /nfs/dbraw/zinc/95/42/95/891954295.db2.gz IBKPMTMROTVKNU-RVMXOQNASA-N 2 0 264.373 -0.663 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001357969176 891954945 /nfs/dbraw/zinc/95/49/45/891954945.db2.gz IBKPMTMROTVKNU-NDBYEHHHSA-N 2 0 264.373 -0.663 20 0 CBADRP [NH3+]CCCSCCC(=O)NCCN1CCC([NH3+])CC1 ZINC001358111640 891971171 /nfs/dbraw/zinc/97/11/71/891971171.db2.gz PVTPBRWCPRMWDF-UHFFFAOYSA-N 2 0 288.461 -0.002 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001358110935 891972993 /nfs/dbraw/zinc/97/29/93/891972993.db2.gz DHQCVNXKTOMQHJ-AGIUHOORSA-N 2 0 266.389 -0.619 20 0 CBADRP CCO[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C[NH+](C)C ZINC001358202192 891978658 /nfs/dbraw/zinc/97/86/58/891978658.db2.gz OJHBQHSHRISYPX-KXNHARMFSA-N 2 0 255.362 -0.180 20 0 CBADRP [NH3+]CCCSCCC(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001358238298 891983639 /nfs/dbraw/zinc/98/36/39/891983639.db2.gz NWWDRBMXLCMUHA-GFCCVEGCSA-N 2 0 275.418 -0.229 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC001358396688 891999405 /nfs/dbraw/zinc/99/94/05/891999405.db2.gz PGEFRNRAONXYKS-MNXVOIDGSA-N 2 0 269.389 -0.067 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC001358393756 892001143 /nfs/dbraw/zinc/00/11/43/892001143.db2.gz KIWGMSMXMUBLQN-YPMHNXCESA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)N[C@H]2C[C@H](C[NH3+])C2)CCOCC1 ZINC001358486978 892010918 /nfs/dbraw/zinc/01/09/18/892010918.db2.gz NQVKLUSOVSNSSR-GMTAPVOTSA-N 2 0 255.362 -0.016 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001362361181 892624201 /nfs/dbraw/zinc/62/42/01/892624201.db2.gz WZSPPUYYVXAPKJ-DGCLKSJQSA-N 2 0 275.368 -0.151 20 0 CBADRP C[N@H+](CC(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21)[C@@H]1CCC[C@H]1O ZINC001362913909 893165507 /nfs/dbraw/zinc/16/55/07/893165507.db2.gz AZYHLAWAVGGASO-AAVRWANBSA-N 2 0 281.400 -0.006 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001450929215 913752191 /nfs/dbraw/zinc/75/21/91/913752191.db2.gz GZPBLQXITOSXCU-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP COC(=O)CNC(=O)[C@H](C)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001363292134 893544236 /nfs/dbraw/zinc/54/42/36/893544236.db2.gz CUICIBQPKMTZGE-TUAOUCFPSA-N 2 0 283.372 -0.452 20 0 CBADRP C[N@H+](CC(=O)N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1CCC[C@H]1O ZINC001363375266 893624211 /nfs/dbraw/zinc/62/42/11/893624211.db2.gz ZEDJGBDIRRNLBK-MGPQQGTHSA-N 2 0 299.415 -0.596 20 0 CBADRP C[C@@H](CC(N)=O)[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC001363409184 893653783 /nfs/dbraw/zinc/65/37/83/893653783.db2.gz DKBUTIPQEHOLFE-NSHDSACASA-N 2 0 292.387 -0.418 20 0 CBADRP C[NH+](C)C[C@H]1CCN(Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC001363786046 893991285 /nfs/dbraw/zinc/99/12/85/893991285.db2.gz ONHDFOFEKCQGRI-SECBINFHSA-N 2 0 291.359 -0.617 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1C[C@H]2CC[NH+](C)[C@H]2C1 ZINC001364207323 894255279 /nfs/dbraw/zinc/25/52/79/894255279.db2.gz BCMMRRMSRZOMQH-RDBSUJKOSA-N 2 0 295.431 -0.422 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)C1 ZINC001364643565 894539171 /nfs/dbraw/zinc/53/91/71/894539171.db2.gz QHNPOKMGDGNRNM-HZSPNIEDSA-N 2 0 281.400 -0.004 20 0 CBADRP CC[NH+]1CCC(C[NH2+]CC(=O)NCC(=O)OC)CC1 ZINC001364990260 894710913 /nfs/dbraw/zinc/71/09/13/894710913.db2.gz RVVMQQNPIUBGSZ-UHFFFAOYSA-N 2 0 271.361 -0.403 20 0 CBADRP CN1CCN(C(=O)CC[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)CC1 ZINC001365328390 894904572 /nfs/dbraw/zinc/90/45/72/894904572.db2.gz FXVZIWAITWGGAQ-HZSPNIEDSA-N 2 0 281.400 -0.147 20 0 CBADRP C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@]1(O)CC[N@@H+](C)C1)C2 ZINC001365590726 895036482 /nfs/dbraw/zinc/03/64/82/895036482.db2.gz VVAUJWTWWHJZQR-VYHDIPPYSA-N 2 0 296.415 -0.023 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001365824175 895129491 /nfs/dbraw/zinc/12/94/91/895129491.db2.gz LHDGVZLIHOMAKG-TXEJJXNPSA-N 2 0 282.388 -0.687 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001365840648 895130863 /nfs/dbraw/zinc/13/08/63/895130863.db2.gz FFZPKADGAQJQEQ-AVGNSLFASA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)[NH+](C)C ZINC001365850403 895132237 /nfs/dbraw/zinc/13/22/37/895132237.db2.gz XXJDSVZFNOHGPO-CYDGBPFRSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@H](O)C[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001365952990 895148173 /nfs/dbraw/zinc/14/81/73/895148173.db2.gz AULPNJNRJZYGRE-UONOGXRCSA-N 2 0 298.431 -0.805 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001365971854 895155985 /nfs/dbraw/zinc/15/59/85/895155985.db2.gz CFOTZFPDGDFSBI-RYUDHWBXSA-N 2 0 273.377 -0.864 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001366073005 895182722 /nfs/dbraw/zinc/18/27/22/895182722.db2.gz DSVCPHXUJUVEJL-STQMWFEESA-N 2 0 296.415 -0.406 20 0 CBADRP CC[C@H]([NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1)C(N)=O ZINC001366081738 895186542 /nfs/dbraw/zinc/18/65/42/895186542.db2.gz XQBHOBDWVXSSTN-QWHCGFSZSA-N 2 0 296.415 -0.170 20 0 CBADRP CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001366090441 895188522 /nfs/dbraw/zinc/18/85/22/895188522.db2.gz NNKPFPQMKASWRT-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC001366146399 895205181 /nfs/dbraw/zinc/20/51/81/895205181.db2.gz AQHPDSQLPHIACG-NTZNESFSSA-N 2 0 296.415 -0.029 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001366149915 895209010 /nfs/dbraw/zinc/20/90/10/895209010.db2.gz MOHROVVGSWSLNX-NJMOYASZSA-N 2 0 296.415 -0.302 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001366183921 895216886 /nfs/dbraw/zinc/21/68/86/895216886.db2.gz FYUOSEQPVKWUTO-ZDUSSCGKSA-N 2 0 296.415 -0.344 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+](CC(=O)NC)C1 ZINC001366190624 895218103 /nfs/dbraw/zinc/21/81/03/895218103.db2.gz VWUZUPJAEBVLPQ-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001366259931 895241394 /nfs/dbraw/zinc/24/13/94/895241394.db2.gz BHOGALJMQLDUFB-NWDGAFQWSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCn1cncn1 ZINC001366308012 895267203 /nfs/dbraw/zinc/26/72/03/895267203.db2.gz DZBUDGIOBBRKPS-VXGBXAGGSA-N 2 0 280.376 -0.533 20 0 CBADRP CC[C@@H]([NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001366308625 895267996 /nfs/dbraw/zinc/26/79/96/895267996.db2.gz ZXUJEVMBENSAEY-NWDGAFQWSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001366330237 895279953 /nfs/dbraw/zinc/27/99/53/895279953.db2.gz YTRWNOKGEGCQQN-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001366334111 895281248 /nfs/dbraw/zinc/28/12/48/895281248.db2.gz LMZNPQONFNGCJB-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C1CC1 ZINC001366358225 895288056 /nfs/dbraw/zinc/28/80/56/895288056.db2.gz NPFHODZCHQPVAA-NEPJUHHUSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001366347411 895290956 /nfs/dbraw/zinc/29/09/56/895290956.db2.gz QMEFAJFOMRGLCB-VXGBXAGGSA-N 2 0 294.403 -0.249 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001366346528 895291275 /nfs/dbraw/zinc/29/12/75/895291275.db2.gz ULMVYQDYDRCSDH-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001366385976 895306386 /nfs/dbraw/zinc/30/63/86/895306386.db2.gz PLRAYQNBBFTTOA-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001366401283 895312131 /nfs/dbraw/zinc/31/21/31/895312131.db2.gz LMCCWGGXAYDMMM-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001366416836 895317210 /nfs/dbraw/zinc/31/72/10/895317210.db2.gz VBXQCUGHWZCPFX-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001366430850 895322446 /nfs/dbraw/zinc/32/24/46/895322446.db2.gz PFLPHXASVNFEGD-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(N)=O ZINC001366472111 895327027 /nfs/dbraw/zinc/32/70/27/895327027.db2.gz JJAKIRBPRCSRSY-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP CCN1CC[C@@H](N(C)CCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001366522419 895350626 /nfs/dbraw/zinc/35/06/26/895350626.db2.gz XWJVJOSMFIGZCL-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)CN(C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001366587738 895393920 /nfs/dbraw/zinc/39/39/20/895393920.db2.gz YDUFEOIDEAOWNZ-LLVKDONJSA-N 2 0 270.377 -0.878 20 0 CBADRP C[N@H+](CCNC(=O)C[NH+]1CCCC1)CCN1CCCC1=O ZINC001366589486 895401621 /nfs/dbraw/zinc/40/16/21/895401621.db2.gz YUNAYDKRVKLYDN-UHFFFAOYSA-N 2 0 296.415 -0.247 20 0 CBADRP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)[C@@H]1CCNC1=O ZINC001366644712 895416538 /nfs/dbraw/zinc/41/65/38/895416538.db2.gz QDKOPDXSMXRKCI-GFCCVEGCSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@@H](O)COC ZINC001366639134 895417406 /nfs/dbraw/zinc/41/74/06/895417406.db2.gz FHJLGKHBMRGIKB-CHWSQXEVSA-N 2 0 287.404 -0.617 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@@H]1CCCN1CC(N)=O)[NH+](C)C ZINC001366653383 895422811 /nfs/dbraw/zinc/42/28/11/895422811.db2.gz RMCVWDVJLYIZHS-AAEUAGOBSA-N 2 0 284.404 -0.362 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001366663618 895426889 /nfs/dbraw/zinc/42/68/89/895426889.db2.gz BCIVKFZUSGGXPN-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001366663615 895427718 /nfs/dbraw/zinc/42/77/18/895427718.db2.gz BCIVKFZUSGGXPN-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP COC[C@H](O)C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001366759157 895447390 /nfs/dbraw/zinc/44/73/90/895447390.db2.gz HROLOEIJUUGNHV-GXTWGEPZSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)C[N@H+](C)C1CCC1)C(=O)N(C)C ZINC001366764908 895454576 /nfs/dbraw/zinc/45/45/76/895454576.db2.gz CQUOJHYSWODLMR-LBPRGKRZSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@@H]([NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001366814519 895465078 /nfs/dbraw/zinc/46/50/78/895465078.db2.gz ISASJQNXNNGUST-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001367031949 895537475 /nfs/dbraw/zinc/53/74/75/895537475.db2.gz DGOVVGSRPZCUMV-CYBMUJFWSA-N 2 0 294.403 -0.190 20 0 CBADRP CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@H](C)C(N)=O ZINC001367115661 895565422 /nfs/dbraw/zinc/56/54/22/895565422.db2.gz PYGLLVYFNHGFPF-NEPJUHHUSA-N 2 0 296.415 -0.027 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001367216392 895582344 /nfs/dbraw/zinc/58/23/44/895582344.db2.gz UACCLVHEOYUORL-CHWSQXEVSA-N 2 0 296.415 -0.075 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001367226980 895584570 /nfs/dbraw/zinc/58/45/70/895584570.db2.gz FONIUEQCWSNBEG-CYBMUJFWSA-N 2 0 296.415 -0.072 20 0 CBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+][C@@H](C)C(N)=O ZINC001367238842 895591786 /nfs/dbraw/zinc/59/17/86/895591786.db2.gz COCSMBUWESHVDG-MNOVXSKESA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001367242879 895592050 /nfs/dbraw/zinc/59/20/50/895592050.db2.gz XXRFZDXRVDKZAG-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001367240902 895593470 /nfs/dbraw/zinc/59/34/70/895593470.db2.gz NQNKFWNIWUVETO-JHJVBQTASA-N 2 0 298.431 -0.195 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]CC(N)=O)[NH+](C)C ZINC001367270542 895601098 /nfs/dbraw/zinc/60/10/98/895601098.db2.gz QIKBEYKBYZXHAL-ZYHUDNBSSA-N 2 0 272.393 -0.600 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001367385671 895628601 /nfs/dbraw/zinc/62/86/01/895628601.db2.gz SKLTWKRCSVXKHF-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]CC(N)=O ZINC001367456394 895638709 /nfs/dbraw/zinc/63/87/09/895638709.db2.gz YSYXTSSXHOQANO-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C(C)C)CC[N@@H+]1C ZINC001367464959 895639823 /nfs/dbraw/zinc/63/98/23/895639823.db2.gz MBYFZGZKFVGPNW-YNEHKIRRSA-N 2 0 298.431 -0.068 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@H](O)C[NH2+]C[C@H]2CCOC2)CCC1 ZINC001367592000 895687541 /nfs/dbraw/zinc/68/75/41/895687541.db2.gz GDGZHZPCQLEKPV-CHWSQXEVSA-N 2 0 299.415 -0.426 20 0 CBADRP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)nn1C ZINC001367598005 895691010 /nfs/dbraw/zinc/69/10/10/895691010.db2.gz ARNAICYOCUITLR-CYBMUJFWSA-N 2 0 297.403 -0.753 20 0 CBADRP Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001367599923 895694553 /nfs/dbraw/zinc/69/45/53/895694553.db2.gz CSERSWFSFJFCIE-DGCLKSJQSA-N 2 0 296.371 -0.356 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001367625270 895712963 /nfs/dbraw/zinc/71/29/63/895712963.db2.gz DPVCBYMYXYZGQC-QWHCGFSZSA-N 2 0 287.404 -0.570 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001367625262 895713378 /nfs/dbraw/zinc/71/33/78/895713378.db2.gz DPVCBYMYXYZGQC-CHWSQXEVSA-N 2 0 287.404 -0.570 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001367646020 895719592 /nfs/dbraw/zinc/71/95/92/895719592.db2.gz YNZCHCMMIIQPSO-VXGBXAGGSA-N 2 0 286.420 -0.055 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001367646015 895720294 /nfs/dbraw/zinc/72/02/94/895720294.db2.gz YNZCHCMMIIQPSO-RYUDHWBXSA-N 2 0 286.420 -0.055 20 0 CBADRP CC[C@@H](C(=O)N(CC)CC[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001367686528 895743788 /nfs/dbraw/zinc/74/37/88/895743788.db2.gz GVGXSLHIONZPHK-QWRGUYRKSA-N 2 0 272.393 -0.362 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCCNC1=O)[NH+](C)C ZINC001367700259 895756056 /nfs/dbraw/zinc/75/60/56/895756056.db2.gz UXEJTPPDGXPVLF-WOPDTQHZSA-N 2 0 284.404 -0.301 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001367712592 895759890 /nfs/dbraw/zinc/75/98/90/895759890.db2.gz MZIHUMRPXROCMF-VXGBXAGGSA-N 2 0 273.377 -0.816 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001367897873 895851280 /nfs/dbraw/zinc/85/12/80/895851280.db2.gz SZNLPAMKKVZPCF-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001367990775 895880670 /nfs/dbraw/zinc/88/06/70/895880670.db2.gz LRNSWEZUKPWVKR-NEPJUHHUSA-N 2 0 285.388 -0.674 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(=O)N(C)C ZINC001367993910 895881681 /nfs/dbraw/zinc/88/16/81/895881681.db2.gz XETPRPIJVQPCGW-RYUDHWBXSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1)C(N)=O ZINC001368002826 895888813 /nfs/dbraw/zinc/88/88/13/895888813.db2.gz LNJFIUKREVUNJR-CMPLNLGQSA-N 2 0 294.399 -0.560 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001368108171 895915342 /nfs/dbraw/zinc/91/53/42/895915342.db2.gz ZOOKFUYWKDVIIG-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CC1CC[NH+](CC(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)CC1 ZINC001368126121 895919501 /nfs/dbraw/zinc/91/95/01/895919501.db2.gz UAHWCGNFPIESLT-CYBMUJFWSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)NC(=O)Cc1ncc[nH]1 ZINC001452668088 914015964 /nfs/dbraw/zinc/01/59/64/914015964.db2.gz LSLDAVGIDGHBCD-LLVKDONJSA-N 2 0 295.387 -0.085 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCO)CCOCC2)C1 ZINC001368235312 895933664 /nfs/dbraw/zinc/93/36/64/895933664.db2.gz AFBRYCNODJNZEA-ZDUSSCGKSA-N 2 0 299.415 -0.425 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@]2(O)CC[N@H+](CCCO)C2)CC1 ZINC001368267502 895954093 /nfs/dbraw/zinc/95/40/93/895954093.db2.gz WCMUZOWTICKLOV-OAHLLOKOSA-N 2 0 299.415 -0.736 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001368337587 895985327 /nfs/dbraw/zinc/98/53/27/895985327.db2.gz JDOQRCLSMSHDOZ-VXGBXAGGSA-N 2 0 294.399 -0.606 20 0 CBADRP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001368457983 896015109 /nfs/dbraw/zinc/01/51/09/896015109.db2.gz IYDPKYFWAREZCR-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001368536728 896029162 /nfs/dbraw/zinc/02/91/62/896029162.db2.gz MYZXMVODZXHSHG-ZDEQEGDKSA-N 2 0 296.415 -0.443 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001368565123 896037272 /nfs/dbraw/zinc/03/72/72/896037272.db2.gz DDMHHFVFDXVOOG-JHJVBQTASA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001368568398 896038763 /nfs/dbraw/zinc/03/87/63/896038763.db2.gz WIQRQAHEHSAYNH-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001368606138 896043724 /nfs/dbraw/zinc/04/37/24/896043724.db2.gz FRUKKKRCINVGMT-JHJVBQTASA-N 2 0 298.431 -0.055 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001368642153 896051227 /nfs/dbraw/zinc/05/12/27/896051227.db2.gz QPOLMRAIUPQSDI-WDEREUQCSA-N 2 0 293.371 -0.427 20 0 CBADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001368662022 896054224 /nfs/dbraw/zinc/05/42/24/896054224.db2.gz VUQWRPWEZQVXET-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1[NH2+]CC(=O)N(C)C ZINC001368662025 896056111 /nfs/dbraw/zinc/05/61/11/896056111.db2.gz VUQWRPWEZQVXET-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]CC(N)=O)CC2)C1 ZINC001368656348 896056142 /nfs/dbraw/zinc/05/61/42/896056142.db2.gz OMJOFFDRFPCASV-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001368679926 896060576 /nfs/dbraw/zinc/06/05/76/896060576.db2.gz ZFAMLLHMSNTQOE-OLZOCXBDSA-N 2 0 299.415 -0.596 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC2CC(C[NH2+]CC(N)=O)C2)C1 ZINC001368817902 896088064 /nfs/dbraw/zinc/08/80/64/896088064.db2.gz HEMJKXZXLXIWNV-UNXYVOJBSA-N 2 0 282.388 -0.702 20 0 CBADRP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+][C@H](C)C(N)=O)C1 ZINC001368823983 896092894 /nfs/dbraw/zinc/09/28/94/896092894.db2.gz RTTCFCCQSMSESF-VOMCLLRMSA-N 2 0 284.404 -0.314 20 0 CBADRP COC[C@H](O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001368988263 896132790 /nfs/dbraw/zinc/13/27/90/896132790.db2.gz QVNQFCKHOYUUJG-YNEHKIRRSA-N 2 0 287.404 -0.476 20 0 CBADRP CCN1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H](C)O)C2)C1 ZINC001369186792 896167281 /nfs/dbraw/zinc/16/72/81/896167281.db2.gz SJLBTYKRHJSCDA-XDQVBPFNSA-N 2 0 299.415 -0.428 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001369185857 896167792 /nfs/dbraw/zinc/16/77/92/896167792.db2.gz MVLGMNGCFLEWBH-JHJVBQTASA-N 2 0 296.415 -0.301 20 0 CBADRP CC(C)[C@@H](CCNC(=O)Cn1ccnc1)[NH2+][C@H](C)C(N)=O ZINC001369198382 896168191 /nfs/dbraw/zinc/16/81/91/896168191.db2.gz JJLXYPBHZPWPML-VXGBXAGGSA-N 2 0 295.387 -0.123 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)CC(=O)NC)CC1 ZINC001369188849 896168293 /nfs/dbraw/zinc/16/82/93/896168293.db2.gz FSFPZQWMCAMLKJ-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001452819626 914041562 /nfs/dbraw/zinc/04/15/62/914041562.db2.gz ZXYLXGPDIZJFSL-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001369405367 896260278 /nfs/dbraw/zinc/26/02/78/896260278.db2.gz OLFLXGXWTRWLFQ-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+]C[C@H](C)O ZINC001369488946 896290376 /nfs/dbraw/zinc/29/03/76/896290376.db2.gz LIHUEOFNTWJSHU-NWDGAFQWSA-N 2 0 275.393 -0.884 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001369843936 896352524 /nfs/dbraw/zinc/35/25/24/896352524.db2.gz NIDGTAOFNNIFRV-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001370614048 896445638 /nfs/dbraw/zinc/44/56/38/896445638.db2.gz PKQSGWVLOHQLDO-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)[NH+](CC)CC ZINC001370671353 896473243 /nfs/dbraw/zinc/47/32/43/896473243.db2.gz LKYHWLMFNDXBEI-TUAOUCFPSA-N 2 0 284.404 -0.171 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001370719279 896487050 /nfs/dbraw/zinc/48/70/50/896487050.db2.gz ZZESWDAPABHHAL-RVMXOQNASA-N 2 0 285.388 -0.818 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001370710988 896487129 /nfs/dbraw/zinc/48/71/29/896487129.db2.gz ILAMFZNYICBFSH-FRRDWIJNSA-N 2 0 296.415 -0.156 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001370827265 896508579 /nfs/dbraw/zinc/50/85/79/896508579.db2.gz DUWUORHGDFUXMS-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(=O)NC1CC1 ZINC001371214942 896576631 /nfs/dbraw/zinc/57/66/31/896576631.db2.gz WLIPLDFKDBIKGY-NSHDSACASA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CCn1cncn1 ZINC001371213333 896577645 /nfs/dbraw/zinc/57/76/45/896577645.db2.gz QKJDPVAORHTJKA-LBPRGKRZSA-N 2 0 294.403 -0.143 20 0 CBADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001371361725 896598397 /nfs/dbraw/zinc/59/83/97/896598397.db2.gz GORGCPCHIYQSLF-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCCN(C)C1=O ZINC001371476200 896618429 /nfs/dbraw/zinc/61/84/29/896618429.db2.gz VMSHWARBTDLACX-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCCN(C)C1=O ZINC001371476202 896619285 /nfs/dbraw/zinc/61/92/85/896619285.db2.gz VMSHWARBTDLACX-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001371510214 896625954 /nfs/dbraw/zinc/62/59/54/896625954.db2.gz KNNDLJKFUBMXCX-JSGCOSHPSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001371545067 896632647 /nfs/dbraw/zinc/63/26/47/896632647.db2.gz WEPLZTOENCNICQ-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001371608822 896641754 /nfs/dbraw/zinc/64/17/54/896641754.db2.gz ADMLTCBSMKQMHE-CYBMUJFWSA-N 2 0 298.431 -0.147 20 0 CBADRP CN(C[C@@H]1CCN1C(=O)CC[NH+](C)C)C(=O)CC[NH+](C)C ZINC001371633345 896645250 /nfs/dbraw/zinc/64/52/50/896645250.db2.gz JGTHXSLWNZOHOU-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001371661228 896647038 /nfs/dbraw/zinc/64/70/38/896647038.db2.gz UXEAEEFSDSYQLM-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001371765917 896661073 /nfs/dbraw/zinc/66/10/73/896661073.db2.gz AIXYMALRRQDARU-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[C@@H]([NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001371880940 896672610 /nfs/dbraw/zinc/67/26/10/896672610.db2.gz MJJISHCDFUMXKO-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001371876341 896673563 /nfs/dbraw/zinc/67/35/63/896673563.db2.gz HROISEVUYMYQGM-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001372010001 896707879 /nfs/dbraw/zinc/70/78/79/896707879.db2.gz VNVXHRZTLZNKEV-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001372301144 896768781 /nfs/dbraw/zinc/76/87/81/896768781.db2.gz IEROHRZJSLPRJF-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001372631447 896831497 /nfs/dbraw/zinc/83/14/97/896831497.db2.gz XDUDTPBHROOWEW-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001372682973 896837777 /nfs/dbraw/zinc/83/77/77/896837777.db2.gz QKDYTPUDKOVHQM-NSHDSACASA-N 2 0 270.377 -0.750 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001372855918 896891269 /nfs/dbraw/zinc/89/12/69/896891269.db2.gz AXAZGDOWGYDXHL-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)NC1CC1 ZINC001372919072 896903206 /nfs/dbraw/zinc/90/32/06/896903206.db2.gz DNINQBPWUQSBRS-WCQYABFASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+][C@H]2CCCNC2=O)C1 ZINC001372945010 896906469 /nfs/dbraw/zinc/90/64/69/896906469.db2.gz JNRCJRRGRMREKP-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001372951431 896911183 /nfs/dbraw/zinc/91/11/83/896911183.db2.gz VKNQHNFWTJFWJV-NEPJUHHUSA-N 2 0 284.404 -0.395 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001372953838 896911776 /nfs/dbraw/zinc/91/17/76/896911776.db2.gz ZPMOVPBNQRPVLN-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001372953641 896913198 /nfs/dbraw/zinc/91/31/98/896913198.db2.gz ZAZJCHGZCQGMSI-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CCC[NH+]1CCCC1 ZINC001372985414 896921362 /nfs/dbraw/zinc/92/13/62/896921362.db2.gz BCFBNINJOQYSGO-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(N)=O ZINC001373079492 896937630 /nfs/dbraw/zinc/93/76/30/896937630.db2.gz HLXAHIJKMDRSJQ-UPJWGTAASA-N 2 0 296.415 -0.123 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2CC(=O)NC ZINC001373079887 896939362 /nfs/dbraw/zinc/93/93/62/896939362.db2.gz IBOHISFIRPNCAS-BETUJISGSA-N 2 0 296.415 -0.251 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001373195193 896955483 /nfs/dbraw/zinc/95/54/83/896955483.db2.gz KMHANBZHVARKJY-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001373341675 896972207 /nfs/dbraw/zinc/97/22/07/896972207.db2.gz FCCUDBWCQZPXNX-IHRRRGAJSA-N 2 0 299.415 -0.332 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001373394212 896994123 /nfs/dbraw/zinc/99/41/23/896994123.db2.gz VYTSFSXNPFMXLI-BFHYXJOUSA-N 2 0 299.415 -0.332 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001373394215 896996679 /nfs/dbraw/zinc/99/66/79/896996679.db2.gz VYTSFSXNPFMXLI-MJBXVCDLSA-N 2 0 299.415 -0.332 20 0 CBADRP CN1CCC[C@@H]([N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001373600228 897062802 /nfs/dbraw/zinc/06/28/02/897062802.db2.gz CKGOAIFJRDDWCS-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001373612798 897069280 /nfs/dbraw/zinc/06/92/80/897069280.db2.gz AAJHKJZVKCYBKU-AGIUHOORSA-N 2 0 285.388 -0.864 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001373608265 897069977 /nfs/dbraw/zinc/06/99/77/897069977.db2.gz HFRHDPQTKWMJLZ-STQMWFEESA-N 2 0 297.399 -0.720 20 0 CBADRP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CCN(CC(N)=O)C1 ZINC001373709528 897100683 /nfs/dbraw/zinc/10/06/83/897100683.db2.gz SWEVBUIJBFJZGF-GFCCVEGCSA-N 2 0 284.404 -0.264 20 0 CBADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC ZINC001373824180 897129375 /nfs/dbraw/zinc/12/93/75/897129375.db2.gz CQCJIMZURJTKGZ-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H](C)C(N)=O ZINC001373821251 897131495 /nfs/dbraw/zinc/13/14/95/897131495.db2.gz MSBXOLOENRRBPS-QWRGUYRKSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+][C@H]1CCNC1=O ZINC001374066775 897164855 /nfs/dbraw/zinc/16/48/55/897164855.db2.gz XEYPYVMYEZYYKB-NEPJUHHUSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1nncn1C ZINC001374069720 897165314 /nfs/dbraw/zinc/16/53/14/897165314.db2.gz HJKAWYIZWLFFPN-NSHDSACASA-N 2 0 282.392 -0.391 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+][C@H]1CCNC1=O ZINC001374066778 897165707 /nfs/dbraw/zinc/16/57/07/897165707.db2.gz XEYPYVMYEZYYKB-RYUDHWBXSA-N 2 0 296.415 -0.441 20 0 CBADRP CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001374101997 897171093 /nfs/dbraw/zinc/17/10/93/897171093.db2.gz XVGDTINQJZMHCQ-VXGBXAGGSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCN(C)C1=O)N(C)C(=O)CC[NH+](C)C ZINC001374275818 897202538 /nfs/dbraw/zinc/20/25/38/897202538.db2.gz KHAREXJDXMAQGX-NEPJUHHUSA-N 2 0 284.404 -0.395 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)N(C)C(=O)CC[NH+](C)C ZINC001374275826 897203080 /nfs/dbraw/zinc/20/30/80/897203080.db2.gz KHAREXJDXMAQGX-VXGBXAGGSA-N 2 0 284.404 -0.395 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374282447 897208615 /nfs/dbraw/zinc/20/86/15/897208615.db2.gz PTTYIRZMQZDGEQ-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001374314055 897211362 /nfs/dbraw/zinc/21/13/62/897211362.db2.gz QMQMGFBOBZYFLZ-LLVKDONJSA-N 2 0 282.388 -0.735 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001374319686 897211457 /nfs/dbraw/zinc/21/14/57/897211457.db2.gz IHEZNBWCSKQZEH-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP CC[C@H](C(=O)NC[C@H]([NH2+]CC(=O)NC)C(C)C)[NH+](C)C ZINC001374446213 897228694 /nfs/dbraw/zinc/22/86/94/897228694.db2.gz ZUFCDNLBXWUQAK-NWDGAFQWSA-N 2 0 286.420 -0.197 20 0 CBADRP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N(C)C ZINC001374445679 897230557 /nfs/dbraw/zinc/23/05/57/897230557.db2.gz HELJSIACPGNLNS-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)NC)C(C)C)[NH+](C)C ZINC001374446211 897231180 /nfs/dbraw/zinc/23/11/80/897231180.db2.gz ZUFCDNLBXWUQAK-NEPJUHHUSA-N 2 0 286.420 -0.197 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001374560717 897259730 /nfs/dbraw/zinc/25/97/30/897259730.db2.gz DYVNUJPAOSHUTL-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)cn1 ZINC001374644377 897325318 /nfs/dbraw/zinc/32/53/18/897325318.db2.gz WRSKMGFTRMGFFZ-CYBMUJFWSA-N 2 0 295.387 -0.697 20 0 CBADRP CC[NH+](CC)CC(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001374652480 897329929 /nfs/dbraw/zinc/32/99/29/897329929.db2.gz UHRVXXGIALBLTP-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP O=C(NC[C@H](O)C[NH2+]CC1CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001374674392 897336971 /nfs/dbraw/zinc/33/69/71/897336971.db2.gz FCJKLWKZNBHYND-HIFRSBDPSA-N 2 0 281.400 -0.051 20 0 CBADRP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)C[NH+]2CCCC2)n1 ZINC001374685864 897341009 /nfs/dbraw/zinc/34/10/09/897341009.db2.gz QZKGSWPXFSOWNS-ZDUSSCGKSA-N 2 0 295.387 -0.917 20 0 CBADRP Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)C[NH+]2CCCC2)n1 ZINC001374685858 897342993 /nfs/dbraw/zinc/34/29/93/897342993.db2.gz QZKGSWPXFSOWNS-CYBMUJFWSA-N 2 0 295.387 -0.917 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001374756468 897375501 /nfs/dbraw/zinc/37/55/01/897375501.db2.gz NOIZIQSXHFLFTC-MRVWCRGKSA-N 2 0 299.415 -0.570 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001374760170 897379744 /nfs/dbraw/zinc/37/97/44/897379744.db2.gz LZLIUQINGKSGNN-UHFFFAOYSA-N 2 0 284.404 -0.393 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001374774187 897384117 /nfs/dbraw/zinc/38/41/17/897384117.db2.gz DOODHAQYSLWDPH-AGIUHOORSA-N 2 0 287.404 -0.428 20 0 CBADRP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C)C(N)=O ZINC001374777870 897384735 /nfs/dbraw/zinc/38/47/35/897384735.db2.gz XWAAEVPJCAMZKB-GMTAPVOTSA-N 2 0 272.393 -0.315 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001374814905 897400935 /nfs/dbraw/zinc/40/09/35/897400935.db2.gz USWTYBIEFAGHOY-SNVBAGLBSA-N 2 0 272.393 -0.456 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001374808130 897400235 /nfs/dbraw/zinc/40/02/35/897400235.db2.gz UNZVBEPGBQCQRM-LLVKDONJSA-N 2 0 284.404 -0.489 20 0 CBADRP CCn1ncnc1CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374844034 897406940 /nfs/dbraw/zinc/40/69/40/897406940.db2.gz WFKDECXABDATKG-VXGBXAGGSA-N 2 0 294.403 -0.156 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)CCC[NH+](C)C ZINC001374926314 897435021 /nfs/dbraw/zinc/43/50/21/897435021.db2.gz MYNQRQFUTXEBAQ-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+][C@H](C)C(N)=O)C1CC1 ZINC001375277130 897505910 /nfs/dbraw/zinc/50/59/10/897505910.db2.gz JYKAUEJATMZFJS-ZYHUDNBSSA-N 2 0 284.404 -0.315 20 0 CBADRP CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001375405078 897537120 /nfs/dbraw/zinc/53/71/20/897537120.db2.gz SQTIWSCQZGGCNJ-LLVKDONJSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1)C(N)=O ZINC001375463982 897549571 /nfs/dbraw/zinc/54/95/71/897549571.db2.gz FVLGLOBGYGKQOA-SNVBAGLBSA-N 2 0 282.388 -0.560 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001375503146 897557487 /nfs/dbraw/zinc/55/74/87/897557487.db2.gz SEFAMNZDXFDILE-BETUJISGSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001375513935 897558596 /nfs/dbraw/zinc/55/85/96/897558596.db2.gz SEYVCENKQSBQSU-TXEJJXNPSA-N 2 0 284.404 -0.441 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001375517049 897559332 /nfs/dbraw/zinc/55/93/32/897559332.db2.gz SXHDTOJPKZXPEU-UPJWGTAASA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001375517048 897560074 /nfs/dbraw/zinc/56/00/74/897560074.db2.gz SXHDTOJPKZXPEU-RWMBFGLXSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001375759109 897604405 /nfs/dbraw/zinc/60/44/05/897604405.db2.gz ZEHTVWFYQJPGHF-DGCLKSJQSA-N 2 0 296.415 -0.075 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001375764651 897604419 /nfs/dbraw/zinc/60/44/19/897604419.db2.gz ZRVHNMLRRQCPOF-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP COCC[NH+]1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001376097074 897653660 /nfs/dbraw/zinc/65/36/60/897653660.db2.gz LDYRTTNWBPQGBD-UHFFFAOYSA-N 2 0 286.420 -0.682 20 0 CBADRP C[C@H](C(=O)N(C)C)N1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001376151046 897676001 /nfs/dbraw/zinc/67/60/01/897676001.db2.gz LTCJHXLNJZNXOP-NEPJUHHUSA-N 2 0 284.404 -0.395 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001376328752 897713933 /nfs/dbraw/zinc/71/39/33/897713933.db2.gz HWEDMDWHYAZSQK-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CC(N)=O ZINC001376356865 897716924 /nfs/dbraw/zinc/71/69/24/897716924.db2.gz CIZLIZDHFNACOE-NWDGAFQWSA-N 2 0 294.399 -0.748 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001376358238 897717628 /nfs/dbraw/zinc/71/76/28/897717628.db2.gz GFKLZOGTXGOASE-STQMWFEESA-N 2 0 296.415 -0.488 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001376387325 897722898 /nfs/dbraw/zinc/72/28/98/897722898.db2.gz HZDHISNLIXYYOW-SRVKXCTJSA-N 2 0 282.388 -0.547 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001376391290 897723519 /nfs/dbraw/zinc/72/35/19/897723519.db2.gz HHWUZUBENFDDDL-RYUDHWBXSA-N 2 0 294.399 -0.593 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC)C1)[NH+](C)C ZINC001376393138 897724460 /nfs/dbraw/zinc/72/44/60/897724460.db2.gz DSOKNHAILLANRG-KKOKHZNYSA-N 2 0 284.404 -0.302 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001376405428 897727177 /nfs/dbraw/zinc/72/71/77/897727177.db2.gz VHKONOXYTRHDTH-LBPRGKRZSA-N 2 0 282.388 -0.639 20 0 CBADRP CCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001376418701 897730767 /nfs/dbraw/zinc/73/07/67/897730767.db2.gz RZJUGWOETVIYBM-JHJVBQTASA-N 2 0 296.415 -0.299 20 0 CBADRP COCC[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001376477056 897754305 /nfs/dbraw/zinc/75/43/05/897754305.db2.gz DUKMRUBBGUOXHO-AWEZNQCLSA-N 2 0 287.404 -0.472 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001376485402 897756764 /nfs/dbraw/zinc/75/67/64/897756764.db2.gz DMPVHRSMFYIYLP-UPJWGTAASA-N 2 0 299.415 -0.285 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001376579484 897780179 /nfs/dbraw/zinc/78/01/79/897780179.db2.gz XWAZBLCBUHCKPI-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001376741787 897831103 /nfs/dbraw/zinc/83/11/03/897831103.db2.gz ABTNVFITHFVDPN-LBPRGKRZSA-N 2 0 296.415 -0.025 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cnnn1C ZINC001376767239 897839375 /nfs/dbraw/zinc/83/93/75/897839375.db2.gz UKXNDPTZEUEPCK-DGCLKSJQSA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCn1cncn1 ZINC001376802129 897849475 /nfs/dbraw/zinc/84/94/75/897849475.db2.gz OXLCVKIHWBCWDD-QWHCGFSZSA-N 2 0 294.403 -0.286 20 0 CBADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCn1cncn1 ZINC001376802126 897850281 /nfs/dbraw/zinc/85/02/81/897850281.db2.gz OXLCVKIHWBCWDD-OLZOCXBDSA-N 2 0 294.403 -0.286 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@H]1CCCNC1=O ZINC001376809560 897852521 /nfs/dbraw/zinc/85/25/21/897852521.db2.gz WBWNCPVBADWJCQ-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@@H]1CCCNC1=O ZINC001376804527 897853814 /nfs/dbraw/zinc/85/38/14/897853814.db2.gz CPILZGJOQNKPRZ-WCQYABFASA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC001376871925 897875956 /nfs/dbraw/zinc/87/59/56/897875956.db2.gz ZSKCHWYSKRQDLN-STQMWFEESA-N 2 0 287.404 -0.476 20 0 CBADRP CN(C)C(=O)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001376910865 897890545 /nfs/dbraw/zinc/89/05/45/897890545.db2.gz OWMOKEDGPJWZRD-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001376933618 897894656 /nfs/dbraw/zinc/89/46/56/897894656.db2.gz WBPRMHRCQIOZKO-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001376952447 897900116 /nfs/dbraw/zinc/90/01/16/897900116.db2.gz FYOCUUQEIQTQKQ-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001376952431 897901581 /nfs/dbraw/zinc/90/15/81/897901581.db2.gz FYOCUUQEIQTQKQ-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001376967813 897904632 /nfs/dbraw/zinc/90/46/32/897904632.db2.gz WKCXNRSMVUACEC-NWDGAFQWSA-N 2 0 284.404 -0.265 20 0 CBADRP CC[C@@H](C(=O)NCC[N@H+](C)CCN1CCCC1=O)[NH+](C)C ZINC001377224115 897975007 /nfs/dbraw/zinc/97/50/07/897975007.db2.gz VQZMIDAUNXUWGS-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001377266628 897993003 /nfs/dbraw/zinc/99/30/03/897993003.db2.gz OFKINYBFBZGSMC-QWHCGFSZSA-N 2 0 298.431 -0.149 20 0 CBADRP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001377458093 898053160 /nfs/dbraw/zinc/05/31/60/898053160.db2.gz WUVFNGBUKFPZRH-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC1(CO)CC[NH+](CCO)CC1 ZINC001377578061 898093437 /nfs/dbraw/zinc/09/34/37/898093437.db2.gz LPRJSMQCEKLVPZ-UHFFFAOYSA-N 2 0 287.404 -0.738 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C ZINC001377599720 898103453 /nfs/dbraw/zinc/10/34/53/898103453.db2.gz HLJOTAJITBKPEF-LLVKDONJSA-N 2 0 272.393 -0.491 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001377597083 898103596 /nfs/dbraw/zinc/10/35/96/898103596.db2.gz JGBYHVFAXOYJSW-NWDGAFQWSA-N 2 0 296.415 -0.347 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001377595424 898103772 /nfs/dbraw/zinc/10/37/72/898103772.db2.gz QZXXWGSQVCJJIQ-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP C[NH+](C)CCC(=O)NCC[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001377713442 898120276 /nfs/dbraw/zinc/12/02/76/898120276.db2.gz XTSYKAMZOMGCLL-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001377717979 898121928 /nfs/dbraw/zinc/12/19/28/898121928.db2.gz VSWRVRJQNBKVNN-BPCQOVAHSA-N 2 0 296.415 -0.170 20 0 CBADRP NC(=O)C[NH2+]CC1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001377714664 898122282 /nfs/dbraw/zinc/12/22/82/898122282.db2.gz VYWIKYXIKKDHPR-UHFFFAOYSA-N 2 0 294.399 -0.416 20 0 CBADRP CNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001377756302 898127616 /nfs/dbraw/zinc/12/76/16/898127616.db2.gz BARVEJBJFGOTJQ-CYBMUJFWSA-N 2 0 296.415 -0.392 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001377773979 898132726 /nfs/dbraw/zinc/13/27/26/898132726.db2.gz VNTGVYIZCKKTPI-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001377866475 898153005 /nfs/dbraw/zinc/15/30/05/898153005.db2.gz JCSONIABPDSKBZ-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP COC[C@H](O)C[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001378025676 898203253 /nfs/dbraw/zinc/20/32/53/898203253.db2.gz MVZBIXVBCWPKTK-CYBMUJFWSA-N 2 0 285.388 -0.863 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001378081407 898225685 /nfs/dbraw/zinc/22/56/85/898225685.db2.gz RNKYWSPMZMLAPU-HZSPNIEDSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)N(C)CC(=O)N1CCC1 ZINC001378108782 898238027 /nfs/dbraw/zinc/23/80/27/898238027.db2.gz BIWHTKAGEXITDM-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001378117042 898238431 /nfs/dbraw/zinc/23/84/31/898238431.db2.gz VAXDTIZQUQOCQA-GFCCVEGCSA-N 2 0 297.403 -0.846 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001378136848 898251308 /nfs/dbraw/zinc/25/13/08/898251308.db2.gz BFOGRMTZRGYGEZ-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)[C@H]1CCNC1=O ZINC001378195631 898269569 /nfs/dbraw/zinc/26/95/69/898269569.db2.gz YJANAFAXFZKNLJ-NEPJUHHUSA-N 2 0 294.399 -0.593 20 0 CBADRP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]C[C@@H](O)COC ZINC001378303281 898307287 /nfs/dbraw/zinc/30/72/87/898307287.db2.gz PXHCTYPVZQXGAM-YNEHKIRRSA-N 2 0 287.404 -0.428 20 0 CBADRP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N(C)C ZINC001378298161 898309046 /nfs/dbraw/zinc/30/90/46/898309046.db2.gz HHAOTFPLCSQSAL-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)NC ZINC001378305659 898309351 /nfs/dbraw/zinc/30/93/51/898309351.db2.gz VBMXHNRRJPWAMO-GFCCVEGCSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]C[C@H](O)COC ZINC001378321966 898313066 /nfs/dbraw/zinc/31/30/66/898313066.db2.gz VRNQECDVZCOIHK-OLZOCXBDSA-N 2 0 299.415 -0.426 20 0 CBADRP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@H]1CCNC1=O ZINC001378333594 898316047 /nfs/dbraw/zinc/31/60/47/898316047.db2.gz DLEQXUWLBMDQON-RYUDHWBXSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1)C(N)=O ZINC001378383701 898323757 /nfs/dbraw/zinc/32/37/57/898323757.db2.gz SAKXKRRYSPXECB-NWDGAFQWSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001378501450 898337769 /nfs/dbraw/zinc/33/77/69/898337769.db2.gz PSRKAZKVWJADNQ-NWDGAFQWSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CCN1C(=O)C[NH+]1CCCC1 ZINC001378511985 898340876 /nfs/dbraw/zinc/34/08/76/898340876.db2.gz LAYJCIHYXWJXKX-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001378506900 898341763 /nfs/dbraw/zinc/34/17/63/898341763.db2.gz XUZKBTGXRJDEIA-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001378569813 898355640 /nfs/dbraw/zinc/35/56/40/898355640.db2.gz LXBUIMCNEJNEQT-CHWSQXEVSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1cn(C)nn1 ZINC001378595902 898362665 /nfs/dbraw/zinc/36/26/65/898362665.db2.gz ZVKRVZVRDYDGEG-WCQYABFASA-N 2 0 294.403 -0.249 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001378643175 898377397 /nfs/dbraw/zinc/37/73/97/898377397.db2.gz JXWADJIEOPKLHE-QWHCGFSZSA-N 2 0 298.431 -0.242 20 0 CBADRP CC[C@H]([NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001378654695 898381435 /nfs/dbraw/zinc/38/14/35/898381435.db2.gz XIZZWPOEDTZWCO-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[C@H](C(=O)NCC1([NH2+]CC(N)=O)CCCC1)[NH+](C)C ZINC001378690898 898392124 /nfs/dbraw/zinc/39/21/24/898392124.db2.gz PPMGXBZFSQJVSE-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001378725461 898394324 /nfs/dbraw/zinc/39/43/24/898394324.db2.gz OJANEPBIBFSLKP-XDQVBPFNSA-N 2 0 281.400 -0.386 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001378734635 898398840 /nfs/dbraw/zinc/39/88/40/898398840.db2.gz XKLCDWTZXGPOFQ-UHFFFAOYSA-N 2 0 296.415 -0.153 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001378747430 898403495 /nfs/dbraw/zinc/40/34/95/898403495.db2.gz HHZZIICFPPATAN-XDQVBPFNSA-N 2 0 281.400 -0.386 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CCO)C1 ZINC001378765120 898406357 /nfs/dbraw/zinc/40/63/57/898406357.db2.gz QDMOXYKUKIOWQK-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(N)=O ZINC001378835909 898420574 /nfs/dbraw/zinc/42/05/74/898420574.db2.gz YAXAEGVXMFKPBN-SYLRKERUSA-N 2 0 296.415 -0.315 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001378840896 898422627 /nfs/dbraw/zinc/42/26/27/898422627.db2.gz BHFGYYTWENXFDU-IJLUTSLNSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001378858053 898423612 /nfs/dbraw/zinc/42/36/12/898423612.db2.gz ZVAYMDAZUJSNQZ-RYUDHWBXSA-N 2 0 284.404 -0.537 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001378912751 898429733 /nfs/dbraw/zinc/42/97/33/898429733.db2.gz OWMWGDLGFJLLFA-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]CC(N)=O ZINC001378912545 898429906 /nfs/dbraw/zinc/42/99/06/898429906.db2.gz OODAFORPPGATJZ-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]CC(N)=O ZINC001378912562 898430031 /nfs/dbraw/zinc/43/00/31/898430031.db2.gz OODAFORPPGATJZ-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001378913796 898430216 /nfs/dbraw/zinc/43/02/16/898430216.db2.gz PYPHJZNXRABSHX-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+](C)C(C)C ZINC001379059225 898454895 /nfs/dbraw/zinc/45/48/95/898454895.db2.gz QGNJRIVYRWRUKL-CYBMUJFWSA-N 2 0 298.431 -0.101 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001379100308 898465683 /nfs/dbraw/zinc/46/56/83/898465683.db2.gz GGVFKSNGAVOXRQ-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CC(N)=O)C1 ZINC001379147249 898473975 /nfs/dbraw/zinc/47/39/75/898473975.db2.gz HPDRFYCSXBIMNU-STQMWFEESA-N 2 0 296.415 -0.264 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)C[N@H+](C)C(C)C ZINC001379327814 898550354 /nfs/dbraw/zinc/55/03/54/898550354.db2.gz LRZHMAWDFBTZLN-NSHDSACASA-N 2 0 272.393 -0.362 20 0 CBADRP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001379212649 898507021 /nfs/dbraw/zinc/50/70/21/898507021.db2.gz CUVLUOBMUZZWHJ-DGCLKSJQSA-N 2 0 298.387 -0.110 20 0 CBADRP Cc1nn(C)cc1C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C ZINC001379237610 898515411 /nfs/dbraw/zinc/51/54/11/898515411.db2.gz IICDQUFGWYHVMI-ZDUSSCGKSA-N 2 0 297.403 -0.753 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccccn2)C1 ZINC001379290167 898540180 /nfs/dbraw/zinc/54/01/80/898540180.db2.gz QYPWVNGQZPBEIM-OCCSQVGLSA-N 2 0 292.383 -0.400 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001379294091 898540279 /nfs/dbraw/zinc/54/02/79/898540279.db2.gz CHYQNVXIDGEECQ-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001379294072 898540323 /nfs/dbraw/zinc/54/03/23/898540323.db2.gz CHYQNVXIDGEECQ-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001379358273 898571062 /nfs/dbraw/zinc/57/10/62/898571062.db2.gz ASTOZSFTPQAYNE-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C ZINC001379386484 898591907 /nfs/dbraw/zinc/59/19/07/898591907.db2.gz VEZPMEJQOCEJBP-AGIUHOORSA-N 2 0 298.431 -0.102 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001379449048 898616870 /nfs/dbraw/zinc/61/68/70/898616870.db2.gz LNUJBZYBABTOCR-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001379446490 898617731 /nfs/dbraw/zinc/61/77/31/898617731.db2.gz CDZYKDAYZOGIGR-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CCn1cc(CNC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001379461869 898621842 /nfs/dbraw/zinc/62/18/42/898621842.db2.gz UOKOEQFGGGHLSE-VXGBXAGGSA-N 2 0 294.403 -0.156 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001379489272 898636342 /nfs/dbraw/zinc/63/63/42/898636342.db2.gz FFMDEWYWGAKYEE-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001379515196 898650064 /nfs/dbraw/zinc/65/00/64/898650064.db2.gz LXGNYAJBTFYGCN-HBNTYKKESA-N 2 0 270.377 -0.833 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001379536413 898660089 /nfs/dbraw/zinc/66/00/89/898660089.db2.gz JUABXGDQHTUPSB-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]1[C@H]([NH2+]CCn2cncn2)CCN1C(=O)CC[NH+](C)C ZINC001379548011 898663993 /nfs/dbraw/zinc/66/39/93/898663993.db2.gz FEJGQAGBLGLCOA-CHWSQXEVSA-N 2 0 294.403 -0.191 20 0 CBADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC1CC1)[NH+](C)C ZINC001379578672 898675056 /nfs/dbraw/zinc/67/50/56/898675056.db2.gz FHFWSVWORQFCTJ-SMDDNHRTSA-N 2 0 298.431 -0.055 20 0 CBADRP C[C@@H](C[NH2+]Cc1ccn(C)n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379601835 898680573 /nfs/dbraw/zinc/68/05/73/898680573.db2.gz UZPNCNKUOHCWKE-RYUDHWBXSA-N 2 0 279.388 -0.034 20 0 CBADRP C[C@H](C[N@H+](C)CCO)NC(=O)COC1CC[NH+](C)CC1 ZINC001379770287 898723726 /nfs/dbraw/zinc/72/37/26/898723726.db2.gz UJZBZAAOSNBLHN-GFCCVEGCSA-N 2 0 287.404 -0.474 20 0 CBADRP COC[C@@H](O)C[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001379760104 898725447 /nfs/dbraw/zinc/72/54/47/898725447.db2.gz CTPCERIRAKHSGI-STQMWFEESA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H]([NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1)C(N)=O ZINC001379893191 898753146 /nfs/dbraw/zinc/75/31/46/898753146.db2.gz LEYJCUZTUKQVFC-JQWIXIFHSA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@H]([NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1)C(N)=O ZINC001379893190 898754690 /nfs/dbraw/zinc/75/46/90/898754690.db2.gz LEYJCUZTUKQVFC-CMPLNLGQSA-N 2 0 296.415 -0.314 20 0 CBADRP CN(C)C(=O)C[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001380080657 898805332 /nfs/dbraw/zinc/80/53/32/898805332.db2.gz LOSUIASKIKYNID-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](Cc1c[nH]cn1)C(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC001380174189 898828157 /nfs/dbraw/zinc/82/81/57/898828157.db2.gz JYFRMWPEIJYEOP-GRZMOONWSA-N 2 0 293.371 -0.347 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001380276155 898847605 /nfs/dbraw/zinc/84/76/05/898847605.db2.gz YZMQERPUSJICMC-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001380375439 898869599 /nfs/dbraw/zinc/86/95/99/898869599.db2.gz JICLSXRFLGFEKR-DZGCQCFKSA-N 2 0 299.415 -0.330 20 0 CBADRP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001380897870 898966183 /nfs/dbraw/zinc/96/61/83/898966183.db2.gz QJFJXUHMSBMRHB-CHWSQXEVSA-N 2 0 299.415 -0.426 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001380928371 898972924 /nfs/dbraw/zinc/97/29/24/898972924.db2.gz DCMUUGMDALVWAM-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP C[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H]1CCNC1=O ZINC001381194350 899009112 /nfs/dbraw/zinc/00/91/12/899009112.db2.gz XTGGAOCZBPZSRT-RYUDHWBXSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+][C@H]1CCCNC1=O ZINC001381200204 899012833 /nfs/dbraw/zinc/01/28/33/899012833.db2.gz NJJAOGVOECBTQN-RWMBFGLXSA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001381210792 899012873 /nfs/dbraw/zinc/01/28/73/899012873.db2.gz LFCYKOQDDPTJMK-NSHDSACASA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+][C@@H]1CCCNC1=O ZINC001381200210 899014292 /nfs/dbraw/zinc/01/42/92/899014292.db2.gz NJJAOGVOECBTQN-YNEHKIRRSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H]([NH2+]CCO)[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001381916365 899131322 /nfs/dbraw/zinc/13/13/22/899131322.db2.gz GNJUSAMBMHWRBA-OCCSQVGLSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@H]([NH2+]CCO)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001381937356 899131349 /nfs/dbraw/zinc/13/13/49/899131349.db2.gz SUJXUCCIVKJISW-RYUDHWBXSA-N 2 0 273.377 -0.864 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001381953326 899134124 /nfs/dbraw/zinc/13/41/24/899134124.db2.gz KYXUTOSLOJWWES-AAVRWANBSA-N 2 0 299.415 -0.428 20 0 CBADRP CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001381956329 899136681 /nfs/dbraw/zinc/13/66/81/899136681.db2.gz IRFQMAPSSYGZIT-FDYHWXHSSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001381998104 899140583 /nfs/dbraw/zinc/14/05/83/899140583.db2.gz RNIPVNYCTGKVDN-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(N)=O ZINC001382121629 899159435 /nfs/dbraw/zinc/15/94/35/899159435.db2.gz LYIYHNNNHYHYTE-WDEREUQCSA-N 2 0 270.377 -0.750 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001382152768 899166478 /nfs/dbraw/zinc/16/64/78/899166478.db2.gz MJGOXMSHSJWTQN-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[NH2+][C@H](CO)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001382220238 899197605 /nfs/dbraw/zinc/19/76/05/899197605.db2.gz WLOUQPDHROIIPQ-LBPRGKRZSA-N 2 0 287.404 -0.569 20 0 CBADRP C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCC[NH+](C)C ZINC001382284133 899232086 /nfs/dbraw/zinc/23/20/86/899232086.db2.gz ITNRLKKMJSFJBG-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382320373 899246859 /nfs/dbraw/zinc/24/68/59/899246859.db2.gz UUVJUXFTNLKZAO-WDEREUQCSA-N 2 0 270.377 -0.737 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C)[NH+](C)C ZINC001382537475 899320903 /nfs/dbraw/zinc/32/09/03/899320903.db2.gz YGHZBYRLJCMNQQ-QWRGUYRKSA-N 2 0 286.420 -0.068 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001386791473 899708315 /nfs/dbraw/zinc/70/83/15/899708315.db2.gz JCSONIABPDSKBZ-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001386892630 899727385 /nfs/dbraw/zinc/72/73/85/899727385.db2.gz ZXRULFMEBDNSRC-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001387031929 899749053 /nfs/dbraw/zinc/74/90/53/899749053.db2.gz OURUAZLIVAQHEJ-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)CCC[NH+](C)C ZINC001387750605 899823377 /nfs/dbraw/zinc/82/33/77/899823377.db2.gz HRGKHFDOVLDSAA-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001387819991 899833998 /nfs/dbraw/zinc/83/39/98/899833998.db2.gz NQSVAYOHNGBADH-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[C@@H](C(=O)NCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001388115647 899869397 /nfs/dbraw/zinc/86/93/97/899869397.db2.gz FQOKEBKTIWYGJX-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@@H](C(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001388115726 899869555 /nfs/dbraw/zinc/86/95/55/899869555.db2.gz GHMZWRRSHDORQN-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP CCN(CCNC(=O)CC[NH+](C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001455676726 914389409 /nfs/dbraw/zinc/38/94/09/914389409.db2.gz MNBIGCHRBVULSH-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001388696433 899901035 /nfs/dbraw/zinc/90/10/35/899901035.db2.gz CMTUPHCMXPKOPS-XQQFMLRXSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[NH+](CC)CC(=O)NC1CN(C(=O)C[NH+]2CCCC2)C1 ZINC001389217193 899971171 /nfs/dbraw/zinc/97/11/71/899971171.db2.gz CRFGCBOPBAMNCP-UHFFFAOYSA-N 2 0 296.415 -0.249 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001389342912 899997025 /nfs/dbraw/zinc/99/70/25/899997025.db2.gz NGDNVXJBLDCWDK-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001389519646 900034407 /nfs/dbraw/zinc/03/44/07/900034407.db2.gz GYRPFPARKKAKEJ-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001389821444 900076322 /nfs/dbraw/zinc/07/63/22/900076322.db2.gz SPXGDFAPJSFXHS-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001389835219 900080083 /nfs/dbraw/zinc/08/00/83/900080083.db2.gz IHLNAXFVGJWFLX-FDYHWXHSSA-N 2 0 285.388 -0.675 20 0 CBADRP CC[C@H](C(=O)N1CC(CNC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001389932857 900095943 /nfs/dbraw/zinc/09/59/43/900095943.db2.gz HHVIBXPMYKUHNT-CYBMUJFWSA-N 2 0 298.431 -0.147 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]2C[N@H+](CC(N)=O)CC[C@H]21 ZINC001389949758 900099273 /nfs/dbraw/zinc/09/92/73/900099273.db2.gz JALKOAZRMQKAPP-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001390053424 900108824 /nfs/dbraw/zinc/10/88/24/900108824.db2.gz BDUQBTHPUURQAZ-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001390039577 900109654 /nfs/dbraw/zinc/10/96/54/900109654.db2.gz SKWLSDSOYHGBES-XQQFMLRXSA-N 2 0 296.415 -0.206 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cnnn1C ZINC001390381739 900147444 /nfs/dbraw/zinc/14/74/44/900147444.db2.gz WVZOOGLDFBTCSA-DMDPSCGWSA-N 2 0 294.403 -0.250 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N(C)C1CC1 ZINC001390463471 900166159 /nfs/dbraw/zinc/16/61/59/900166159.db2.gz BIOUTHHKPPQYNR-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC(C)C)[NH+](C)C ZINC001390512244 900180812 /nfs/dbraw/zinc/18/08/12/900180812.db2.gz RRNMRSSFAFXJBI-NWDGAFQWSA-N 2 0 286.420 -0.055 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001390564457 900190032 /nfs/dbraw/zinc/19/00/32/900190032.db2.gz CYICXGWKEBYQEQ-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001390595084 900193514 /nfs/dbraw/zinc/19/35/14/900193514.db2.gz QYHCEZSMJZYONW-RYUDHWBXSA-N 2 0 282.388 -0.748 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001390592134 900193919 /nfs/dbraw/zinc/19/39/19/900193919.db2.gz AXVLUXQSWDEZCL-NSHDSACASA-N 2 0 270.377 -0.750 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001390608166 900195822 /nfs/dbraw/zinc/19/58/22/900195822.db2.gz QJYGMOYFXIHBGL-DOMZBBRYSA-N 2 0 294.399 -0.604 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCn1cncn1 ZINC001390646966 900203847 /nfs/dbraw/zinc/20/38/47/900203847.db2.gz OBYGMKVZFCELHH-CHWSQXEVSA-N 2 0 294.403 -0.143 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001390670926 900206169 /nfs/dbraw/zinc/20/61/69/900206169.db2.gz INILDJMNHXGXKS-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC(N)=O ZINC001390696614 900213498 /nfs/dbraw/zinc/21/34/98/900213498.db2.gz VVXWKWFCHXNYQG-WOPDTQHZSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001390714671 900215638 /nfs/dbraw/zinc/21/56/38/900215638.db2.gz MJPOBFLXOMPQTH-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](O)C[N@H+](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001390848115 900264837 /nfs/dbraw/zinc/26/48/37/900264837.db2.gz YSOZJDOGNKOBBF-GFCCVEGCSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCN(C)C1=O ZINC001391022806 900295923 /nfs/dbraw/zinc/29/59/23/900295923.db2.gz MHQFOZKJUFUUBU-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CCCN1[C@@H]1CCNC1=O ZINC001391060612 900298972 /nfs/dbraw/zinc/29/89/72/900298972.db2.gz IVXWOPYVXYFRSS-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H]1CCCN1CC(N)=O)[NH+](C)C ZINC001391063018 900300921 /nfs/dbraw/zinc/30/09/21/900300921.db2.gz RMCVWDVJLYIZHS-DGCLKSJQSA-N 2 0 284.404 -0.362 20 0 CBADRP CC(C)[C@H](C(=O)N(C)CC[NH2+][C@H]1CCCNC1=O)[NH+](C)C ZINC001391230222 900348043 /nfs/dbraw/zinc/34/80/43/900348043.db2.gz UDPGGKPSBYFIRI-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001391340901 900356508 /nfs/dbraw/zinc/35/65/08/900356508.db2.gz QIOOXNWKAIPIIM-GFCCVEGCSA-N 2 0 284.404 -0.358 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001391353051 900361060 /nfs/dbraw/zinc/36/10/60/900361060.db2.gz HQUNANVRJLHXQE-QWHCGFSZSA-N 2 0 296.415 -0.264 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001391560841 900411094 /nfs/dbraw/zinc/41/10/94/900411094.db2.gz KOUJDUOEHKVSMZ-UONOGXRCSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001391668289 900429255 /nfs/dbraw/zinc/42/92/55/900429255.db2.gz VRAPPFXXMVCZLS-AAEUAGOBSA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001391927033 900463155 /nfs/dbraw/zinc/46/31/55/900463155.db2.gz OOBOGFRENFUNTA-DGCLKSJQSA-N 2 0 286.420 -0.340 20 0 CBADRP CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001391928958 900463646 /nfs/dbraw/zinc/46/36/46/900463646.db2.gz QWZWJRFVOCEBBQ-DGCLKSJQSA-N 2 0 298.431 -0.066 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001392013924 900492368 /nfs/dbraw/zinc/49/23/68/900492368.db2.gz HLRYZCDBYFLNOK-LLVKDONJSA-N 2 0 282.388 -0.416 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001392047015 900499318 /nfs/dbraw/zinc/49/93/18/900499318.db2.gz CQGLFAQZJJMYEU-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001392183610 900528600 /nfs/dbraw/zinc/52/86/00/900528600.db2.gz RGESINHTOSPUCC-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001392255288 900544154 /nfs/dbraw/zinc/54/41/54/900544154.db2.gz YSVVINSTRDKZTF-RYUDHWBXSA-N 2 0 284.404 -0.586 20 0 CBADRP CN(CCN(C)[C@H]1CCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001392327748 900562412 /nfs/dbraw/zinc/56/24/12/900562412.db2.gz ULEQGRMERACSPK-RYUDHWBXSA-N 2 0 282.388 -0.783 20 0 CBADRP CNC(=O)[C@H](C)N(C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001392326857 900564371 /nfs/dbraw/zinc/56/43/71/900564371.db2.gz NHKYHBJOROYXJA-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001392346101 900574164 /nfs/dbraw/zinc/57/41/64/900574164.db2.gz QAIWQADHSPSDNZ-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001392434051 900616397 /nfs/dbraw/zinc/61/63/97/900616397.db2.gz GSGKUBTZJQGJQI-MNOVXSKESA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001392464559 900625211 /nfs/dbraw/zinc/62/52/11/900625211.db2.gz GJLQCXFVSVPFHV-ZYHUDNBSSA-N 2 0 280.376 -0.496 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001392513908 900644068 /nfs/dbraw/zinc/64/40/68/900644068.db2.gz ZTGNQERHLHOSPP-WDEREUQCSA-N 2 0 270.377 -0.832 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001392512711 900644725 /nfs/dbraw/zinc/64/47/25/900644725.db2.gz OYKDLALXWKSBBV-YPMHNXCESA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001392523241 900648653 /nfs/dbraw/zinc/64/86/53/900648653.db2.gz BNXUXUYUKONTBE-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001392536944 900650698 /nfs/dbraw/zinc/65/06/98/900650698.db2.gz NUQGRMVJVKTHFN-GHMZBOCLSA-N 2 0 270.377 -0.691 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001392536945 900652053 /nfs/dbraw/zinc/65/20/53/900652053.db2.gz NUQGRMVJVKTHFN-MNOVXSKESA-N 2 0 270.377 -0.691 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001392583673 900667674 /nfs/dbraw/zinc/66/76/74/900667674.db2.gz UBPJBWMYGXFZQQ-QJPTWQEYSA-N 2 0 284.404 -0.348 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001392592194 900671357 /nfs/dbraw/zinc/67/13/57/900671357.db2.gz JIUUEXBCNREVTM-WDEREUQCSA-N 2 0 272.393 -0.491 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001392600875 900673801 /nfs/dbraw/zinc/67/38/01/900673801.db2.gz PDEHRJYEJPOBNL-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001392602782 900673972 /nfs/dbraw/zinc/67/39/72/900673972.db2.gz SMQBKZUTKNATMI-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001392607440 900677736 /nfs/dbraw/zinc/67/77/36/900677736.db2.gz DVGKYWBRJBWPME-RYUDHWBXSA-N 2 0 294.399 -0.545 20 0 CBADRP COC[C@H](O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001392673977 900695393 /nfs/dbraw/zinc/69/53/93/900695393.db2.gz CRDVXHPXWAONAQ-JHJVBQTASA-N 2 0 287.404 -0.476 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001392791215 900726346 /nfs/dbraw/zinc/72/63/46/900726346.db2.gz ZSINRFMCOXGRPK-NWDGAFQWSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001392791139 900727036 /nfs/dbraw/zinc/72/70/36/900727036.db2.gz DKSZUQXWGUGNDH-CMPLNLGQSA-N 2 0 282.388 -0.702 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001392791124 900728426 /nfs/dbraw/zinc/72/84/26/900728426.db2.gz DKNBVYBPNCMZID-DGCLKSJQSA-N 2 0 296.415 -0.441 20 0 CBADRP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC(N)=O ZINC001392810487 900730077 /nfs/dbraw/zinc/73/00/77/900730077.db2.gz NLNQZRRZDNZIGO-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001392822132 900733075 /nfs/dbraw/zinc/73/30/75/900733075.db2.gz DCWXBNMRFVDRNG-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CCn1nncc1C[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001392930658 900761932 /nfs/dbraw/zinc/76/19/32/900761932.db2.gz SGBQNGZHLCKGJW-UHFFFAOYSA-N 2 0 294.403 -0.012 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001392992177 900771653 /nfs/dbraw/zinc/77/16/53/900771653.db2.gz OYTAIRCPCDEFJV-IUODEOHRSA-N 2 0 296.415 -0.264 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001393058409 900787862 /nfs/dbraw/zinc/78/78/62/900787862.db2.gz YMGWTAOSUHNYBL-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C2CCCC2)C1 ZINC001393083300 900789309 /nfs/dbraw/zinc/78/93/09/900789309.db2.gz JGQNUIVOUUPVCD-QWHCGFSZSA-N 2 0 296.415 -0.312 20 0 CBADRP CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001393143624 900799922 /nfs/dbraw/zinc/79/99/22/900799922.db2.gz LSPFMTYWGRCZHM-SWLSCSKDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001393165487 900800386 /nfs/dbraw/zinc/80/03/86/900800386.db2.gz WHEAGKFKGFPBKB-WFASDCNBSA-N 2 0 296.415 -0.216 20 0 CBADRP CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001393143630 900800680 /nfs/dbraw/zinc/80/06/80/900800680.db2.gz LSPFMTYWGRCZHM-WFASDCNBSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001393380704 900849479 /nfs/dbraw/zinc/84/94/79/900849479.db2.gz FGBOVVWWXPORJH-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001393569824 900877393 /nfs/dbraw/zinc/87/73/93/900877393.db2.gz NTNPCTVARGYDDU-LBPRGKRZSA-N 2 0 296.415 -0.025 20 0 CBADRP COC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001393596089 900883632 /nfs/dbraw/zinc/88/36/32/900883632.db2.gz VRYWXVOJKDFNMU-QWHCGFSZSA-N 2 0 287.404 -0.210 20 0 CBADRP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CC(N)=O ZINC001393746415 900903528 /nfs/dbraw/zinc/90/35/28/900903528.db2.gz JAVYYHOHKKAMKN-WDEREUQCSA-N 2 0 282.388 -0.750 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH2+]CC(N)=O)CC2)C1 ZINC001393748681 900903967 /nfs/dbraw/zinc/90/39/67/900903967.db2.gz QSEJZFUQYJZVLA-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[C@H]([NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001393809986 900909306 /nfs/dbraw/zinc/90/93/06/900909306.db2.gz ACDKQMDJEDWHKT-SDDRHHMPSA-N 2 0 284.404 -0.171 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)CC1 ZINC001393860259 900915316 /nfs/dbraw/zinc/91/53/16/900915316.db2.gz RIVSDDKNCKYJEB-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1(CO)CC[NH+](CCCO)CC1 ZINC001393845079 900916262 /nfs/dbraw/zinc/91/62/62/900916262.db2.gz PDYSXIZICOJYGP-ZDUSSCGKSA-N 2 0 299.415 -0.594 20 0 CBADRP C[C@H]([NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001393904928 900929020 /nfs/dbraw/zinc/92/90/20/900929020.db2.gz JHNAMUDOUQVIEZ-WHXUTIOJSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)[C@@H](C)[NH2+]CCO ZINC001393943286 900935192 /nfs/dbraw/zinc/93/51/92/900935192.db2.gz FHTKXCOCUBKZSN-VXGBXAGGSA-N 2 0 297.403 -0.467 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001393981929 900947784 /nfs/dbraw/zinc/94/77/84/900947784.db2.gz YFZOGRZIYCJTAK-WDEREUQCSA-N 2 0 272.393 -0.443 20 0 CBADRP CC[C@@H](C(=O)N(C)C1CN(C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001394050686 900958588 /nfs/dbraw/zinc/95/85/88/900958588.db2.gz FXUJMDPOIPDZPX-ZDUSSCGKSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001394370449 901020836 /nfs/dbraw/zinc/02/08/36/901020836.db2.gz QPQWBXUMVPEEIN-IJLUTSLNSA-N 2 0 284.404 -0.314 20 0 CBADRP CN(C(=O)C1(C[NH+](C)C)CC1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001394441083 901027055 /nfs/dbraw/zinc/02/70/55/901027055.db2.gz VMLXLHVZBCUXLN-GFCCVEGCSA-N 2 0 296.415 -0.360 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001394563807 901055259 /nfs/dbraw/zinc/05/52/59/901055259.db2.gz CAVLPHHBBOBHOY-NWDGAFQWSA-N 2 0 284.404 -0.348 20 0 CBADRP O=C(NC[C@H](CO)[NH2+]CCF)[C@H]1C[NH+]2CCC1CC2 ZINC001394587160 901074989 /nfs/dbraw/zinc/07/49/89/901074989.db2.gz OFOBKKHJDAZXBI-NEPJUHHUSA-N 2 0 273.352 -0.636 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001394679312 901115863 /nfs/dbraw/zinc/11/58/63/901115863.db2.gz PQCRLSIOCYLVCY-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)CN1C(=O)CCC[NH+](C)C ZINC001394670531 901117370 /nfs/dbraw/zinc/11/73/70/901117370.db2.gz OBRQOQWTFFXYJA-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001394762635 901143820 /nfs/dbraw/zinc/14/38/20/901143820.db2.gz PYVGYHKETUVENG-YPMHNXCESA-N 2 0 287.404 -0.882 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001394808651 901159559 /nfs/dbraw/zinc/15/95/59/901159559.db2.gz CNEPUOWMZFEZSV-QWRGUYRKSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001395172256 901184908 /nfs/dbraw/zinc/18/49/08/901184908.db2.gz QILPWFIVFHLZBE-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001396938333 901349047 /nfs/dbraw/zinc/34/90/47/901349047.db2.gz KKBXOLNWHMFWPW-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@H]1CC[N@@H+]1CCO ZINC001397024237 901355714 /nfs/dbraw/zinc/35/57/14/901355714.db2.gz BWGZQGOJQBSCID-UONOGXRCSA-N 2 0 299.415 -0.520 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001397134405 901367366 /nfs/dbraw/zinc/36/73/66/901367366.db2.gz KTVQUFVPKNRBDV-IJLUTSLNSA-N 2 0 284.404 -0.443 20 0 CBADRP Cn1nncc1C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001397127669 901368471 /nfs/dbraw/zinc/36/84/71/901368471.db2.gz GHFKSNUDDSDKPH-HAQNSBGRSA-N 2 0 294.403 -0.249 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001397169293 901370199 /nfs/dbraw/zinc/37/01/99/901370199.db2.gz ITWNMBVKXLZGNJ-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CC[NH+](C)C ZINC001397557721 901430075 /nfs/dbraw/zinc/43/00/75/901430075.db2.gz INZAOKZGBLDUTP-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001397558160 901431055 /nfs/dbraw/zinc/43/10/55/901431055.db2.gz CIBDJKWTOJHQAR-GRYCIOLGSA-N 2 0 282.388 -0.689 20 0 CBADRP C[N@H+](CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001397591749 901437136 /nfs/dbraw/zinc/43/71/36/901437136.db2.gz HCEPDVSDOBZNAZ-PHIMTYICSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001397763762 901451527 /nfs/dbraw/zinc/45/15/27/901451527.db2.gz CTAJZCIZNSNFNP-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCC[NH+]1C ZINC001397930457 901478709 /nfs/dbraw/zinc/47/87/09/901478709.db2.gz WHTNRVJYXMVGDZ-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001398374664 901531146 /nfs/dbraw/zinc/53/11/46/901531146.db2.gz HBVHJCMHCXSYLG-OLZOCXBDSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]([NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1)C(N)=O ZINC001398436108 901537507 /nfs/dbraw/zinc/53/75/07/901537507.db2.gz MBUXLAODFCXDQX-CMPLNLGQSA-N 2 0 296.415 -0.314 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001398469835 901544794 /nfs/dbraw/zinc/54/47/94/901544794.db2.gz RCZKGFGVLYWPLB-QWHCGFSZSA-N 2 0 298.431 -0.018 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001398555891 901559587 /nfs/dbraw/zinc/55/95/87/901559587.db2.gz FUISZGHODJXBKY-SRVKXCTJSA-N 2 0 282.388 -0.547 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001398613997 901575503 /nfs/dbraw/zinc/57/55/03/901575503.db2.gz AUEIXGUJUVAXQU-UTUOFQBUSA-N 2 0 296.415 -0.158 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001398623902 901579506 /nfs/dbraw/zinc/57/95/06/901579506.db2.gz ROIKXCXXXQNSQQ-RKQHYHRCSA-N 2 0 299.415 -0.429 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001398667114 901587624 /nfs/dbraw/zinc/58/76/24/901587624.db2.gz CQUWPGVKDIZOHG-UTUOFQBUSA-N 2 0 284.404 -0.301 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001398734812 901596047 /nfs/dbraw/zinc/59/60/47/901596047.db2.gz XWAZBLCBUHCKPI-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+](C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)CCC1 ZINC001398754582 901598880 /nfs/dbraw/zinc/59/88/80/901598880.db2.gz ANDCEYRLMUJOKS-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C)C(N)=O ZINC001398763489 901602420 /nfs/dbraw/zinc/60/24/20/901602420.db2.gz OVFPDHMHNBJNJB-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H]1CCNC1=O ZINC001399022561 901652781 /nfs/dbraw/zinc/65/27/81/901652781.db2.gz FRJBCWDRJMXPBW-GHMZBOCLSA-N 2 0 282.388 -0.689 20 0 CBADRP CCn1nncc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001399108899 901664795 /nfs/dbraw/zinc/66/47/95/901664795.db2.gz KHHCWLQMZHKZIO-VXGBXAGGSA-N 2 0 294.403 -0.156 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001399098370 901666176 /nfs/dbraw/zinc/66/61/76/901666176.db2.gz LMAVJRRSWUPUNN-AAEUAGOBSA-N 2 0 286.420 -0.197 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCN1CCNC1=O ZINC001399125996 901673542 /nfs/dbraw/zinc/67/35/42/901673542.db2.gz UYLUVWCPCQVVKJ-LBPRGKRZSA-N 2 0 297.403 -0.798 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+][C@H]1CCNC1=O ZINC001399163820 901678248 /nfs/dbraw/zinc/67/82/48/901678248.db2.gz OFGVHSQLAPRDSZ-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001399177159 901680359 /nfs/dbraw/zinc/68/03/59/901680359.db2.gz VSJCTMDQYOYPMV-WDEREUQCSA-N 2 0 270.377 -0.691 20 0 CBADRP Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001399230387 901685959 /nfs/dbraw/zinc/68/59/59/901685959.db2.gz BUZNMOPPROQEDQ-LBPRGKRZSA-N 2 0 294.403 -0.295 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001399250932 901688560 /nfs/dbraw/zinc/68/85/60/901688560.db2.gz YUHHVKFZGABCHA-RYUDHWBXSA-N 2 0 282.388 -0.878 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001399258758 901688663 /nfs/dbraw/zinc/68/86/63/901688663.db2.gz XCHJWLDUMNXOEQ-NWDGAFQWSA-N 2 0 284.404 -0.362 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001399294978 901691637 /nfs/dbraw/zinc/69/16/37/901691637.db2.gz URTDRVDJOIBUSD-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ncnn1C ZINC001399313182 901695928 /nfs/dbraw/zinc/69/59/28/901695928.db2.gz GGGTZYFAJBJZSB-NEPJUHHUSA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ncnn1C ZINC001399313200 901697702 /nfs/dbraw/zinc/69/77/02/901697702.db2.gz GGGTZYFAJBJZSB-VXGBXAGGSA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N(C)C ZINC001399324047 901699689 /nfs/dbraw/zinc/69/96/89/901699689.db2.gz QNJXJYZVANPRSH-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001399426096 901710655 /nfs/dbraw/zinc/71/06/55/901710655.db2.gz CSXLQBVZQGOKEL-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001399426120 901712503 /nfs/dbraw/zinc/71/25/03/901712503.db2.gz CSXLQBVZQGOKEL-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)CCn2cncn2)C1 ZINC001399572280 901752854 /nfs/dbraw/zinc/75/28/54/901752854.db2.gz DPAVFEFRBYQBMB-CYBMUJFWSA-N 2 0 294.403 -0.332 20 0 CBADRP CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@@H]1CCNC1=O ZINC001399763668 901792573 /nfs/dbraw/zinc/79/25/73/901792573.db2.gz YBWFMWNXLBKSFF-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001399922082 901836376 /nfs/dbraw/zinc/83/63/76/901836376.db2.gz DBGCNSZNVJNSIZ-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001399936952 901839401 /nfs/dbraw/zinc/83/94/01/901839401.db2.gz YKBNHGPQHFVPOE-VXGBXAGGSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001400046262 901864556 /nfs/dbraw/zinc/86/45/56/901864556.db2.gz FQDNSXXVFQPWGF-NWDGAFQWSA-N 2 0 284.404 -0.395 20 0 CBADRP CC[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCCNC1=O)[NH+](C)C ZINC001400064413 901869588 /nfs/dbraw/zinc/86/95/88/901869588.db2.gz BXOYWAHXEJGMDE-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001400226619 901900037 /nfs/dbraw/zinc/90/00/37/901900037.db2.gz CCYGVJAZCREZCT-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP C[N@@H+](CC(N)=O)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001400245275 901905197 /nfs/dbraw/zinc/90/51/97/901905197.db2.gz GZHPIFIVZPEBQA-CYBMUJFWSA-N 2 0 296.415 -0.406 20 0 CBADRP CO[C@H](C)CN1CC(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001400448515 901942282 /nfs/dbraw/zinc/94/22/82/901942282.db2.gz JCSHGPAFOBWPMM-CHWSQXEVSA-N 2 0 299.415 -0.210 20 0 CBADRP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H]1CCNC1=O ZINC001400841153 902024693 /nfs/dbraw/zinc/02/46/93/902024693.db2.gz BKEKMVSBUURXMD-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC1CC[NH+](CC(N)=O)CC1 ZINC001401072166 902046544 /nfs/dbraw/zinc/04/65/44/902046544.db2.gz KHKSIOLXCRLZLP-CYBMUJFWSA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001401106540 902054817 /nfs/dbraw/zinc/05/48/17/902054817.db2.gz JFVRBZPIZSQXBS-NEPJUHHUSA-N 2 0 284.404 -0.314 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001401113368 902058437 /nfs/dbraw/zinc/05/84/37/902058437.db2.gz HFHKFQQMZMYWOI-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]CC(N)=O ZINC001401131829 902060952 /nfs/dbraw/zinc/06/09/52/902060952.db2.gz IDSZVWSIMHVGRY-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001401141354 902064559 /nfs/dbraw/zinc/06/45/59/902064559.db2.gz WXXWGYMESDAMNI-VXGBXAGGSA-N 2 0 284.404 -0.584 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001401221002 902087286 /nfs/dbraw/zinc/08/72/86/902087286.db2.gz OVXPNKKHUFRPLM-DGCLKSJQSA-N 2 0 296.415 -0.204 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cccnc1 ZINC001401491609 902138485 /nfs/dbraw/zinc/13/84/85/902138485.db2.gz GWEGMSIMZKTGLV-ZIAGYGMSSA-N 2 0 292.383 -0.258 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cccnc1 ZINC001401491577 902139578 /nfs/dbraw/zinc/13/95/78/902139578.db2.gz GWEGMSIMZKTGLV-KGLIPLIRSA-N 2 0 292.383 -0.258 20 0 CBADRP Cn1nccc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001401570588 902171774 /nfs/dbraw/zinc/17/17/74/902171774.db2.gz ZKYRBNKNYHBIIP-CHWSQXEVSA-N 2 0 295.387 -0.919 20 0 CBADRP O=C(NC[C@H](O)C[NH2+]CC1CCC1)C12CC[NH+](CC1)C2 ZINC001401590703 902178108 /nfs/dbraw/zinc/17/81/08/902178108.db2.gz WFDZWQHCIILWMC-CYBMUJFWSA-N 2 0 281.400 -0.051 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401610045 902189740 /nfs/dbraw/zinc/18/97/40/902189740.db2.gz MNEFEAQBKRWARV-GHMZBOCLSA-N 2 0 270.377 -0.750 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001401632874 902199538 /nfs/dbraw/zinc/19/95/38/902199538.db2.gz QYRXHZXGXARBNV-CHWSQXEVSA-N 2 0 299.415 -0.284 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001401633514 902200291 /nfs/dbraw/zinc/20/02/91/902200291.db2.gz VYEXKXSFBQTKGJ-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401670835 902219404 /nfs/dbraw/zinc/21/94/04/902219404.db2.gz RNYFKLYSMWVLNB-GHMZBOCLSA-N 2 0 270.377 -0.832 20 0 CBADRP CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)C1=O ZINC001401672867 902221861 /nfs/dbraw/zinc/22/18/61/902221861.db2.gz XTHGFIBZVSJSKG-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001401686141 902230169 /nfs/dbraw/zinc/23/01/69/902230169.db2.gz NQLRQBZYCHPIPV-QWRGUYRKSA-N 2 0 284.404 -0.301 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001401700979 902233793 /nfs/dbraw/zinc/23/37/93/902233793.db2.gz VJRQEMFKOZXLAL-QWRGUYRKSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001401712597 902240522 /nfs/dbraw/zinc/24/05/22/902240522.db2.gz NELTWRRLAFIXIB-NWDGAFQWSA-N 2 0 297.403 -0.467 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401702428 902241629 /nfs/dbraw/zinc/24/16/29/902241629.db2.gz PMQDVYSNXIZQLG-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001401718896 902244118 /nfs/dbraw/zinc/24/41/18/902244118.db2.gz CDWRNIAYBKHYQL-RYUDHWBXSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@H](C[N@H+](C)[C@@H]1CCN(C)C1=O)NC(=O)CCC[NH+](C)C ZINC001401783322 902271751 /nfs/dbraw/zinc/27/17/51/902271751.db2.gz LJGAOVZEYFWYKY-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001401869076 902293100 /nfs/dbraw/zinc/29/31/00/902293100.db2.gz LFRQJPCHCMIGAI-GFCCVEGCSA-N 2 0 284.404 -0.489 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001401948248 902321382 /nfs/dbraw/zinc/32/13/82/902321382.db2.gz RZLOTXBMZFCFTK-NSHDSACASA-N 2 0 282.388 -0.416 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001401959366 902322862 /nfs/dbraw/zinc/32/28/62/902322862.db2.gz NRLKAUZACUHJGG-NEPJUHHUSA-N 2 0 294.399 -0.402 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2([NH2+]CC(N)=O)CC2)C1 ZINC001401979431 902332789 /nfs/dbraw/zinc/33/27/89/902332789.db2.gz PRNSHGLFUVZTOD-RYUDHWBXSA-N 2 0 296.415 -0.170 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001402059718 902345657 /nfs/dbraw/zinc/34/56/57/902345657.db2.gz MRNMCWIMMOYMOG-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001402066219 902352838 /nfs/dbraw/zinc/35/28/38/902352838.db2.gz FEKRMSCYEMOHLH-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001402251450 902391146 /nfs/dbraw/zinc/39/11/46/902391146.db2.gz XFJFTZIFIDVCCL-QWHCGFSZSA-N 2 0 299.415 -0.426 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+](C[C@@H](C)O)C1 ZINC001402285916 902407617 /nfs/dbraw/zinc/40/76/17/902407617.db2.gz HYVCDHIYMKJJHH-OCCSQVGLSA-N 2 0 287.404 -0.738 20 0 CBADRP O=C(CC[NH+]1CCCCC1)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001402299839 902415235 /nfs/dbraw/zinc/41/52/35/902415235.db2.gz AEJZXFIOEMFIGF-HNNXBMFYSA-N 2 0 299.415 -0.592 20 0 CBADRP COC[C@H](C)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001402385638 902440045 /nfs/dbraw/zinc/44/00/45/902440045.db2.gz LQDNQBFMGLIKJF-NWDGAFQWSA-N 2 0 285.388 -0.864 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]cn2)C1)C(N)=O ZINC001402500715 902466495 /nfs/dbraw/zinc/46/64/95/902466495.db2.gz IRBQEKLLIOTBKI-SRVKXCTJSA-N 2 0 293.371 -0.157 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC1 ZINC001402550950 902474839 /nfs/dbraw/zinc/47/48/39/902474839.db2.gz WABQODXZPVKOPW-ZDUSSCGKSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1)C(N)=O ZINC001402549422 902475386 /nfs/dbraw/zinc/47/53/86/902475386.db2.gz JMEXAUKHKLSACG-AVGNSLFASA-N 2 0 296.415 -0.027 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001402537943 902476325 /nfs/dbraw/zinc/47/63/25/902476325.db2.gz RWUIBJNHMZDLQA-NAKRPEOUSA-N 2 0 270.377 -0.563 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001402645102 902497645 /nfs/dbraw/zinc/49/76/45/902497645.db2.gz NHASUJAEDRYOHH-XQQFMLRXSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@H](C(=O)N(C)CCC[N@H+](C)CC(N)=O)[NH+](C)C ZINC001402645007 902498130 /nfs/dbraw/zinc/49/81/30/902498130.db2.gz PPKUHMCGUKHSRH-LLVKDONJSA-N 2 0 272.393 -0.408 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001402681888 902503383 /nfs/dbraw/zinc/50/33/83/902503383.db2.gz LHQXJZLLZJJIFD-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001402726976 902509993 /nfs/dbraw/zinc/50/99/93/902509993.db2.gz VEQZBYRKIFTNHC-GXTWGEPZSA-N 2 0 287.404 -0.738 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NC)C1 ZINC001402799539 902521070 /nfs/dbraw/zinc/52/10/70/902521070.db2.gz ZHTJYPNHFLSKFY-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001402794405 902521608 /nfs/dbraw/zinc/52/16/08/902521608.db2.gz PKJJPAOANKPJGE-OLZOCXBDSA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001402794408 902522178 /nfs/dbraw/zinc/52/21/78/902522178.db2.gz PKJJPAOANKPJGE-STQMWFEESA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)C(=O)NC)[NH+](C)C ZINC001402841688 902535448 /nfs/dbraw/zinc/53/54/48/902535448.db2.gz RMFDJBLWAQXRDQ-SRVKXCTJSA-N 2 0 286.420 -0.055 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC1CC1)[NH+](C)C ZINC001402913463 902560675 /nfs/dbraw/zinc/56/06/75/902560675.db2.gz HZMYELSQMAULSU-ZYHUDNBSSA-N 2 0 284.404 -0.301 20 0 CBADRP CNC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001402936307 902567871 /nfs/dbraw/zinc/56/78/71/902567871.db2.gz IJIWHOQBSWGWOT-HTAVTVPLSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]CC(N)=O ZINC001402995364 902588124 /nfs/dbraw/zinc/58/81/24/902588124.db2.gz GWIDKGJNOOXFHU-VHSXEESVSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001403029758 902594336 /nfs/dbraw/zinc/59/43/36/902594336.db2.gz BUGMNQVRBACPCR-ZJUUUORDSA-N 2 0 298.391 -0.957 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N1CCC1 ZINC001403037772 902597104 /nfs/dbraw/zinc/59/71/04/902597104.db2.gz FGMBIWQCCRCAFX-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001403057474 902602211 /nfs/dbraw/zinc/60/22/11/902602211.db2.gz YWTJKMRFCXGVHG-WCQYABFASA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@@H]([NH2+]CCN1CCNC1=O)[C@H](C)NC(=O)CC[NH+](C)C ZINC001403069475 902604939 /nfs/dbraw/zinc/60/49/39/902604939.db2.gz XUFBLHFIYITZNI-NEPJUHHUSA-N 2 0 299.419 -0.554 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCCNC1=O ZINC001403098655 902616955 /nfs/dbraw/zinc/61/69/55/902616955.db2.gz IZPZDGHWCQUDPJ-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@@H]1CCN(C)C1=O ZINC001403181560 902638916 /nfs/dbraw/zinc/63/89/16/902638916.db2.gz ACGGWYXYCNSCJR-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@@H]1CCCNC1=O ZINC001403174202 902640550 /nfs/dbraw/zinc/64/05/50/902640550.db2.gz XQOKSFCELCTXGW-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001403213410 902651558 /nfs/dbraw/zinc/65/15/58/902651558.db2.gz OIURWCVQBQPXON-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP O=C(Cn1ccnc1)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001403428154 902688725 /nfs/dbraw/zinc/68/87/25/902688725.db2.gz VOOZLVCJGBQTET-XYYAHUGASA-N 2 0 278.356 -0.441 20 0 CBADRP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1nnnn1C ZINC001403435824 902689809 /nfs/dbraw/zinc/68/98/09/902689809.db2.gz SIKVCXMBDYNFJF-JTQLQIEISA-N 2 0 283.380 -0.854 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001403432799 902690424 /nfs/dbraw/zinc/69/04/24/902690424.db2.gz CXNCUELOELSVDI-HAQNSBGRSA-N 2 0 284.404 -0.489 20 0 CBADRP CN(C(=O)C[NH+]1CCCC1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001403518856 902711532 /nfs/dbraw/zinc/71/15/32/902711532.db2.gz WBPHNOJMYVQNDN-GFCCVEGCSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+][C@@H]1CCN(C)C1=O ZINC001403583273 902737974 /nfs/dbraw/zinc/73/79/74/902737974.db2.gz JTJJKLQFALYHHN-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)N(C)C ZINC001403581939 902738148 /nfs/dbraw/zinc/73/81/48/902738148.db2.gz HGIDIFSYSVZPAY-GFCCVEGCSA-N 2 0 298.431 -0.147 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001403619446 902752897 /nfs/dbraw/zinc/75/28/97/902752897.db2.gz YRBZJZYSIZDNIB-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@@H](CO)[NH2+]C[C@@H]2CCOC2)CC1 ZINC001403708463 902815445 /nfs/dbraw/zinc/81/54/45/902815445.db2.gz NNDJPVUCDVDVHP-STQMWFEESA-N 2 0 299.415 -0.569 20 0 CBADRP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001403898504 902896362 /nfs/dbraw/zinc/89/63/62/902896362.db2.gz OUZKNERELGLVHB-GFCCVEGCSA-N 2 0 287.404 -0.786 20 0 CBADRP CC(C)(C)[C@@H](C[NH2+]CC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001403953256 902910352 /nfs/dbraw/zinc/91/03/52/902910352.db2.gz CJCONSQPJOYSKK-LLVKDONJSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001404084526 902936771 /nfs/dbraw/zinc/93/67/71/902936771.db2.gz MMXIXMRMOZSLDH-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001404084534 902938006 /nfs/dbraw/zinc/93/80/06/902938006.db2.gz MMXIXMRMOZSLDH-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001404169278 902952178 /nfs/dbraw/zinc/95/21/78/902952178.db2.gz DMSQASDAOMICQS-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001404169297 902952428 /nfs/dbraw/zinc/95/24/28/902952428.db2.gz DMSQASDAOMICQS-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+]1CCC(CC(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001404208792 902954334 /nfs/dbraw/zinc/95/43/34/902954334.db2.gz MEMHSZWRJYULHO-CYBMUJFWSA-N 2 0 296.415 -0.358 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCN1C(=O)CC[NH+](C)C ZINC001458769798 914678650 /nfs/dbraw/zinc/67/86/50/914678650.db2.gz RJSWPNKVGWVDJB-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001404317527 902969215 /nfs/dbraw/zinc/96/92/15/902969215.db2.gz IGXYUMGIGKOCDX-IJLUTSLNSA-N 2 0 284.404 -0.362 20 0 CBADRP CNC(=O)CN1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001404674715 903013892 /nfs/dbraw/zinc/01/38/92/903013892.db2.gz XNTWIYDVQAORER-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001458796884 914679604 /nfs/dbraw/zinc/67/96/04/914679604.db2.gz NKQMWVGXNXOSFA-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CC(N)=O ZINC001405248976 903129930 /nfs/dbraw/zinc/12/99/30/903129930.db2.gz IDLURTHCXVHEBE-GRYCIOLGSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@@H]([NH2+][C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001405333510 903147154 /nfs/dbraw/zinc/14/71/54/903147154.db2.gz JQDAHSSKWWLUII-NWDGAFQWSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001405332294 903148776 /nfs/dbraw/zinc/14/87/76/903148776.db2.gz HPWHPHQZYSDVNT-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001405357034 903154700 /nfs/dbraw/zinc/15/47/00/903154700.db2.gz ZKBOQTYZLZFPDN-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)CCC(=O)NCc1ccc(C[NH2+]CC(N)=O)cc1 ZINC001405574132 903180721 /nfs/dbraw/zinc/18/07/21/903180721.db2.gz UYSOUQSMHLSIJE-UHFFFAOYSA-N 2 0 292.383 -0.171 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001405608893 903185284 /nfs/dbraw/zinc/18/52/84/903185284.db2.gz VLKUNKAIXSWQPO-CYBMUJFWSA-N 2 0 296.415 -0.072 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001405701358 903205016 /nfs/dbraw/zinc/20/50/16/903205016.db2.gz XDJYTYIDAYEYQI-LLVKDONJSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001405704152 903206259 /nfs/dbraw/zinc/20/62/59/903206259.db2.gz ZKFWPFQNMWHIAJ-VXGBXAGGSA-N 2 0 286.420 -0.243 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001405711147 903207970 /nfs/dbraw/zinc/20/79/70/903207970.db2.gz AFKAQXCEGZLVPZ-GHMZBOCLSA-N 2 0 272.393 -0.458 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001405748864 903211135 /nfs/dbraw/zinc/21/11/35/903211135.db2.gz ZFYOLHCPYXKREW-OLZOCXBDSA-N 2 0 298.431 -0.194 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001405853863 903239070 /nfs/dbraw/zinc/23/90/70/903239070.db2.gz WBLDEXKXHKLEQM-WDEREUQCSA-N 2 0 270.377 -0.737 20 0 CBADRP CC(C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001406042410 903255949 /nfs/dbraw/zinc/25/59/49/903255949.db2.gz PAJFSFBATOOQLD-NEPJUHHUSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001406060640 903258789 /nfs/dbraw/zinc/25/87/89/903258789.db2.gz CLGINTDEQUGSLV-QWRGUYRKSA-N 2 0 270.377 -0.846 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)c1 ZINC001406310492 903351032 /nfs/dbraw/zinc/35/10/32/903351032.db2.gz UFHPJPHONLBNSS-ZDUSSCGKSA-N 2 0 297.403 -0.673 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001406359001 903372505 /nfs/dbraw/zinc/37/25/05/903372505.db2.gz AMOBLWKLOZWIOQ-PWSUYJOCSA-N 2 0 282.388 -0.832 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001406394982 903392784 /nfs/dbraw/zinc/39/27/84/903392784.db2.gz WHLYIIONCYMPJG-VXGBXAGGSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001406413929 903393417 /nfs/dbraw/zinc/39/34/17/903393417.db2.gz UEYCQKKRAFYHFJ-SNVBAGLBSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001406412068 903396068 /nfs/dbraw/zinc/39/60/68/903396068.db2.gz RYRICKGOYRSYJX-GHMZBOCLSA-N 2 0 280.372 -0.935 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001406484741 903416242 /nfs/dbraw/zinc/41/62/42/903416242.db2.gz VAKQXZNUUIIYIN-QWRGUYRKSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001406495950 903419533 /nfs/dbraw/zinc/41/95/33/903419533.db2.gz PWJXJSFYZWIRGU-NWDGAFQWSA-N 2 0 294.399 -0.402 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001406561428 903435918 /nfs/dbraw/zinc/43/59/18/903435918.db2.gz NUQGRMVJVKTHFN-QWRGUYRKSA-N 2 0 270.377 -0.691 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001406704680 903467037 /nfs/dbraw/zinc/46/70/37/903467037.db2.gz XYUXBDLXKYRZIY-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001406780424 903478569 /nfs/dbraw/zinc/47/85/69/903478569.db2.gz PYSVDRDVIYTTFI-OLZOCXBDSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001406812746 903483447 /nfs/dbraw/zinc/48/34/47/903483447.db2.gz DAAAXWPPLKSEHB-WCQYABFASA-N 2 0 298.431 -0.055 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001406915950 903511221 /nfs/dbraw/zinc/51/12/21/903511221.db2.gz GHIULCSISWDFAI-GFCCVEGCSA-N 2 0 294.399 -0.687 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001406939860 903514336 /nfs/dbraw/zinc/51/43/36/903514336.db2.gz SDEMRYQWLNSEHU-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[C@H]([NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CC1)C(N)=O ZINC001406981790 903521791 /nfs/dbraw/zinc/52/17/91/903521791.db2.gz BBRJFPNMDVEKCX-QWRGUYRKSA-N 2 0 284.404 -0.171 20 0 CBADRP COC[C@@H](O)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001406990111 903525420 /nfs/dbraw/zinc/52/54/20/903525420.db2.gz SICBUZMRAARPLC-OLZOCXBDSA-N 2 0 299.415 -0.426 20 0 CBADRP NC(=O)C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001407168188 903553162 /nfs/dbraw/zinc/55/31/62/903553162.db2.gz KDZQXTCLIIPXLZ-ZDUSSCGKSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001407347230 903573846 /nfs/dbraw/zinc/57/38/46/903573846.db2.gz MJTSHZVWWCUTQU-DOMZBBRYSA-N 2 0 299.415 -0.596 20 0 CBADRP CC[C@@H](C(=O)N[C@]1(CO)CCC[N@H+](CCO)C1)[NH+](C)C ZINC001407631735 903640805 /nfs/dbraw/zinc/64/08/05/903640805.db2.gz RXMZAMJMSDXZMG-GXTWGEPZSA-N 2 0 287.404 -0.738 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001407795411 903660075 /nfs/dbraw/zinc/66/00/75/903660075.db2.gz BMTNEJZSONJQGM-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP CN(CCC[N@H+](C)CC(N)=O)C(=O)C12CCC[NH+]1CCC2 ZINC001407930945 903678795 /nfs/dbraw/zinc/67/87/95/903678795.db2.gz VTVGLVFMXRVAOL-UHFFFAOYSA-N 2 0 296.415 -0.120 20 0 CBADRP CN(CCC[N@H+](C)[C@@H]1CCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001407947334 903682237 /nfs/dbraw/zinc/68/22/37/903682237.db2.gz JZBDLDQDINFDLN-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001408113115 903711463 /nfs/dbraw/zinc/71/14/63/903711463.db2.gz YOCHCBCNTNDGQE-WDEREUQCSA-N 2 0 270.377 -0.750 20 0 CBADRP C[NH+](C)CCC(=O)NC1CC(C[NH2+]CC(=O)NC2CC2)C1 ZINC001409290131 903878045 /nfs/dbraw/zinc/87/80/45/903878045.db2.gz FQRDVRGBAMXOHA-UHFFFAOYSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409384759 903892620 /nfs/dbraw/zinc/89/26/20/903892620.db2.gz HBEHQBGWHXEQMZ-WDEREUQCSA-N 2 0 284.404 -0.443 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409384744 903895268 /nfs/dbraw/zinc/89/52/68/903895268.db2.gz HBEHQBGWHXEQMZ-QWRGUYRKSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001409457518 903902974 /nfs/dbraw/zinc/90/29/74/903902974.db2.gz HUVLFRKRSJRWNY-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)[NH+](C)C ZINC001410092044 904015446 /nfs/dbraw/zinc/01/54/46/904015446.db2.gz XWHGTLBOXAMZSF-WISYIIOYSA-N 2 0 282.388 -0.894 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001410188531 904038968 /nfs/dbraw/zinc/03/89/68/904038968.db2.gz KTEXWHVOVHIMKM-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001410208234 904045623 /nfs/dbraw/zinc/04/56/23/904045623.db2.gz FHDWAVDDGNJTNH-OBJOEFQTSA-N 2 0 298.431 -0.197 20 0 CBADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001410329260 904067270 /nfs/dbraw/zinc/06/72/70/904067270.db2.gz WKLPWEOWFYSWFR-YPMHNXCESA-N 2 0 296.415 -0.360 20 0 CBADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001410329254 904068543 /nfs/dbraw/zinc/06/85/43/904068543.db2.gz WKLPWEOWFYSWFR-WCQYABFASA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001410424260 904092447 /nfs/dbraw/zinc/09/24/47/904092447.db2.gz LVOBEORUKSHDPZ-WCQYABFASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001410412334 904093514 /nfs/dbraw/zinc/09/35/14/904093514.db2.gz FWSHLVAEAJZIBE-NWDGAFQWSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+][C@H](C)C(N)=O ZINC001410412341 904095750 /nfs/dbraw/zinc/09/57/50/904095750.db2.gz FWSHLVAEAJZIBE-VXGBXAGGSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CCc1nccn1C)C(N)=O ZINC001410436994 904100465 /nfs/dbraw/zinc/10/04/65/904100465.db2.gz XAMTUOZUTAHUHR-WDEREUQCSA-N 2 0 295.387 -0.337 20 0 CBADRP CC[C@H](C(=O)NC[C@H](C)NC(=O)CC[NH+](C)C)[NH+](C)C ZINC001410460586 904102480 /nfs/dbraw/zinc/10/24/80/904102480.db2.gz JSVSJXCZCBWGTG-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](CO)[NH2+]CCO)C1 ZINC001410718851 904170797 /nfs/dbraw/zinc/17/07/97/904170797.db2.gz BVCHELNAUKYPRJ-STQMWFEESA-N 2 0 287.404 -0.833 20 0 CBADRP CC[NH2+][C@@H](CO)CNC(=O)COC1CC[NH+](C)CC1 ZINC001410766021 904179673 /nfs/dbraw/zinc/17/96/73/904179673.db2.gz VSUJUJSNFLKZNW-LLVKDONJSA-N 2 0 273.377 -0.816 20 0 CBADRP CC[NH2+][C@H](CO)CNC(=O)COC1CC[NH+](C)CC1 ZINC001410766026 904179864 /nfs/dbraw/zinc/17/98/64/904179864.db2.gz VSUJUJSNFLKZNW-NSHDSACASA-N 2 0 273.377 -0.816 20 0 CBADRP CC[C@H](F)C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001410780299 904183062 /nfs/dbraw/zinc/18/30/62/904183062.db2.gz DJXLFGHSZUAZFZ-RYUDHWBXSA-N 2 0 275.368 -0.103 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC(=O)N(C)C)CN1C(=O)Cc1cnc[nH]1 ZINC001410839477 904192963 /nfs/dbraw/zinc/19/29/63/904192963.db2.gz ACWZXESRWOVIRJ-PWSUYJOCSA-N 2 0 293.371 -0.381 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001410865873 904200037 /nfs/dbraw/zinc/20/00/37/904200037.db2.gz OYTDSUFYBPJTOU-NWDGAFQWSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001410914761 904203267 /nfs/dbraw/zinc/20/32/67/904203267.db2.gz LQLYGLJDCPYWEY-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)C(C)(C)C1 ZINC001410999314 904221132 /nfs/dbraw/zinc/22/11/32/904221132.db2.gz WMISTDMNIMEVIV-NWDGAFQWSA-N 2 0 296.415 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+][C@@H](C)C(N)=O)C1 ZINC001411269121 904277717 /nfs/dbraw/zinc/27/77/17/904277717.db2.gz BJVRUUWNWLVFMQ-UNXYVOJBSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H]1C[N@H+](CCO)CCN1C[C@H](O)C[NH+](C)C1CC1 ZINC001412995175 904852396 /nfs/dbraw/zinc/85/23/96/904852396.db2.gz LCAHOJLSLWRLNU-GXTWGEPZSA-N 2 0 271.405 -0.560 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001414539148 905443493 /nfs/dbraw/zinc/44/34/93/905443493.db2.gz HPJUILSOILAVMV-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001414796626 905515941 /nfs/dbraw/zinc/51/59/41/905515941.db2.gz HPJUILSOILAVMV-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CN(CCNC(=O)C[NH+]1CCCC1)C(=O)CC[NH+](C)C ZINC001415500362 905631164 /nfs/dbraw/zinc/63/11/64/905631164.db2.gz FTAUFIGTDBRXND-UHFFFAOYSA-N 2 0 284.404 -0.392 20 0 CBADRP CC[C@H](C(=O)NC1CN(C(=O)CCC[NH+](C)C)C1)[NH+](C)C ZINC001416015677 905694230 /nfs/dbraw/zinc/69/42/30/905694230.db2.gz UCHGSQVVWXIESA-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001416859939 905818758 /nfs/dbraw/zinc/81/87/58/905818758.db2.gz DXOZYCVZVQMQGF-AGIUHOORSA-N 2 0 298.431 -0.101 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001417021524 905853650 /nfs/dbraw/zinc/85/36/50/905853650.db2.gz LWNSIUYPLIFHKO-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001417776885 906045479 /nfs/dbraw/zinc/04/54/79/906045479.db2.gz BSLCFOAPIINQFP-BETUJISGSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001417780782 906049887 /nfs/dbraw/zinc/04/98/87/906049887.db2.gz NCGKIVXVQRXLJK-FRRDWIJNSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001417780785 906052028 /nfs/dbraw/zinc/05/20/28/906052028.db2.gz NCGKIVXVQRXLJK-XQQFMLRXSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001417800978 906058215 /nfs/dbraw/zinc/05/82/15/906058215.db2.gz VHGGCGNXOVYKFW-MGPQQGTHSA-N 2 0 299.415 -0.569 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]([NH2+]CCO)C1CC1 ZINC001418010675 906134270 /nfs/dbraw/zinc/13/42/70/906134270.db2.gz APZFRODPSHKJGU-GXTWGEPZSA-N 2 0 299.415 -0.569 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001418021365 906138495 /nfs/dbraw/zinc/13/84/95/906138495.db2.gz LIYXUZNENLCVLF-LBPRGKRZSA-N 2 0 293.371 -0.461 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001418044173 906144661 /nfs/dbraw/zinc/14/46/61/906144661.db2.gz NZNYATGJFHNJNE-NEPJUHHUSA-N 2 0 284.404 -0.395 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001418068301 906155800 /nfs/dbraw/zinc/15/58/00/906155800.db2.gz NBGZWIOLINDHFG-LPWJVIDDSA-N 2 0 296.415 -0.158 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001418144386 906180869 /nfs/dbraw/zinc/18/08/69/906180869.db2.gz NZGVSHVXRIBGLB-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001418227412 906229534 /nfs/dbraw/zinc/22/95/34/906229534.db2.gz OZWREWDRCHTUQG-GMTAPVOTSA-N 2 0 270.377 -0.833 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001418227414 906229868 /nfs/dbraw/zinc/22/98/68/906229868.db2.gz OZWREWDRCHTUQG-HBNTYKKESA-N 2 0 270.377 -0.833 20 0 CBADRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+][C@@H]1CCNC1=O ZINC001418272461 906254249 /nfs/dbraw/zinc/25/42/49/906254249.db2.gz CFSJXMZHMHVDPF-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+][C@@H]1CCNC1=O ZINC001418272458 906255483 /nfs/dbraw/zinc/25/54/83/906255483.db2.gz CFSJXMZHMHVDPF-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001418314129 906279372 /nfs/dbraw/zinc/27/93/72/906279372.db2.gz RGYDKIOAFOJCOK-WDEREUQCSA-N 2 0 272.393 -0.445 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001418346009 906292333 /nfs/dbraw/zinc/29/23/33/906292333.db2.gz TWSBIYDMVUSWPE-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001418362773 906296115 /nfs/dbraw/zinc/29/61/15/906296115.db2.gz UVUUIFZBQXSDBJ-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[N@H+](CCNC(=O)CC[NH+](C)C)[C@H]1CCNC1=O ZINC001418564243 906409347 /nfs/dbraw/zinc/40/93/47/906409347.db2.gz DAAVYONLMIEKBW-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001418658464 906437589 /nfs/dbraw/zinc/43/75/89/906437589.db2.gz MQOUAQPHVCOJBK-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001418646698 906437822 /nfs/dbraw/zinc/43/78/22/906437822.db2.gz MATFBGWYRMOCCN-MQYQWHSLSA-N 2 0 299.415 -0.570 20 0 CBADRP Cn1ncc(C[NH2+][C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)n1 ZINC001418702304 906451869 /nfs/dbraw/zinc/45/18/69/906451869.db2.gz PZIMDOUPZSVTLC-HAQNSBGRSA-N 2 0 294.403 -0.249 20 0 CBADRP CC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001418832139 906491410 /nfs/dbraw/zinc/49/14/10/906491410.db2.gz RCZJYOTZSNSEIT-RYUDHWBXSA-N 2 0 286.420 -0.149 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCN(C)C(=O)C[NH+]2CCCC2)C1=O ZINC001418834897 906494226 /nfs/dbraw/zinc/49/42/26/906494226.db2.gz UGXRLAFCWMVLJO-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001418908249 906507760 /nfs/dbraw/zinc/50/77/60/906507760.db2.gz RXMLEKUHYUIUTJ-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001418905458 906509486 /nfs/dbraw/zinc/50/94/86/906509486.db2.gz SCWAUKVVZYRSRT-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP C[N@@H+](CC(N)=O)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001418939667 906523025 /nfs/dbraw/zinc/52/30/25/906523025.db2.gz FRBUGUBLULWCGB-ZDUSSCGKSA-N 2 0 296.415 -0.264 20 0 CBADRP CC(=O)N[C@H](C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001418943857 906524396 /nfs/dbraw/zinc/52/43/96/906524396.db2.gz HKQNBHSJXPCIMG-MRVWCRGKSA-N 2 0 298.431 -0.291 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001419075487 906586519 /nfs/dbraw/zinc/58/65/19/906586519.db2.gz DVLRSURKGRJMRR-UPJWGTAASA-N 2 0 285.388 -0.722 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CCn2cncn2)C1 ZINC001419093086 906596489 /nfs/dbraw/zinc/59/64/89/906596489.db2.gz AABLFIJGDJCOOU-ZDUSSCGKSA-N 2 0 294.403 -0.190 20 0 CBADRP CC[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC(N)=O ZINC001419213747 906637594 /nfs/dbraw/zinc/63/75/94/906637594.db2.gz JQXRVBLXJZTRIM-LBPRGKRZSA-N 2 0 296.415 -0.168 20 0 CBADRP CC[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC(N)=O ZINC001419213742 906638488 /nfs/dbraw/zinc/63/84/88/906638488.db2.gz JQXRVBLXJZTRIM-GFCCVEGCSA-N 2 0 296.415 -0.168 20 0 CBADRP CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@H]1CCNC1=O ZINC001419218198 906641709 /nfs/dbraw/zinc/64/17/09/906641709.db2.gz GWCYWPQHPVODBR-NEPJUHHUSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001419287326 906657858 /nfs/dbraw/zinc/65/78/58/906657858.db2.gz NPLLLZOTMTUVPL-CYBMUJFWSA-N 2 0 296.415 -0.441 20 0 CBADRP CCNC(=O)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001419311024 906663934 /nfs/dbraw/zinc/66/39/34/906663934.db2.gz UUOXZTOPJFSBOF-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(N)=O ZINC001419421191 906682052 /nfs/dbraw/zinc/68/20/52/906682052.db2.gz GBRMOMHPMZVILQ-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001419422437 906682505 /nfs/dbraw/zinc/68/25/05/906682505.db2.gz HVOAEFLORZBVFS-FDYHWXHSSA-N 2 0 296.415 -0.301 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001419413441 906682560 /nfs/dbraw/zinc/68/25/60/906682560.db2.gz NQJURVKHCZESIU-LPWJVIDDSA-N 2 0 296.415 -0.206 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001419412202 906682795 /nfs/dbraw/zinc/68/27/95/906682795.db2.gz JQIFXXMFYXUROK-YVECIDJPSA-N 2 0 296.415 -0.301 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001419422445 906683100 /nfs/dbraw/zinc/68/31/00/906683100.db2.gz HVOAEFLORZBVFS-YVECIDJPSA-N 2 0 296.415 -0.301 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001419422441 906683523 /nfs/dbraw/zinc/68/35/23/906683523.db2.gz HVOAEFLORZBVFS-RNJOBUHISA-N 2 0 296.415 -0.301 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001419424329 906685835 /nfs/dbraw/zinc/68/58/35/906685835.db2.gz WHHWDOSGWKKRSW-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]CC(N)=O ZINC001419466737 906699331 /nfs/dbraw/zinc/69/93/31/906699331.db2.gz GMIFXIWMOGPQLY-SNVBAGLBSA-N 2 0 270.377 -0.702 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001419516829 906710807 /nfs/dbraw/zinc/71/08/07/906710807.db2.gz WLTADIXUFQGGIT-OLZOCXBDSA-N 2 0 298.431 -0.194 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001419521338 906712329 /nfs/dbraw/zinc/71/23/29/906712329.db2.gz YRXKHPWEZWKFJA-VXGBXAGGSA-N 2 0 298.431 -0.066 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001419537535 906715344 /nfs/dbraw/zinc/71/53/44/906715344.db2.gz DUXBXNUAOCKDCM-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001419617799 906743306 /nfs/dbraw/zinc/74/33/06/906743306.db2.gz AXNAZWRXTVKKOY-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001419680273 906764896 /nfs/dbraw/zinc/76/48/96/906764896.db2.gz FSSADUPVGBVBKT-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001419780136 906812813 /nfs/dbraw/zinc/81/28/13/906812813.db2.gz YMLBOUDZXGPEHC-WDEREUQCSA-N 2 0 272.393 -0.443 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H](C)C1 ZINC001419825576 906824174 /nfs/dbraw/zinc/82/41/74/906824174.db2.gz QEVVEAFESFWOMG-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H]1CCN(C)C1=O ZINC001419831499 906827024 /nfs/dbraw/zinc/82/70/24/906827024.db2.gz GNPCTTZPWJZKGY-GHMZBOCLSA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H](C)C(N)=O ZINC001419834246 906828292 /nfs/dbraw/zinc/82/82/92/906828292.db2.gz VYYQTVDQIWOQIX-QWRGUYRKSA-N 2 0 284.404 -0.171 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001419848554 906831441 /nfs/dbraw/zinc/83/14/41/906831441.db2.gz JAXOEUWGHUBNKT-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001419848579 906831614 /nfs/dbraw/zinc/83/16/14/906831614.db2.gz JQIGSPMCXPRKIY-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CCN1CCNC1=O ZINC001419845472 906832013 /nfs/dbraw/zinc/83/20/13/906832013.db2.gz VJSQTOUWROOBLT-NSHDSACASA-N 2 0 285.392 -0.942 20 0 CBADRP C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CC(N)=O ZINC001419875160 906844877 /nfs/dbraw/zinc/84/48/77/906844877.db2.gz JUIGQUXTNBAGKQ-NSHDSACASA-N 2 0 292.383 -0.059 20 0 CBADRP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001419902622 906848745 /nfs/dbraw/zinc/84/87/45/906848745.db2.gz ONHURLQBDFNSMP-NEPJUHHUSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001419909064 906853053 /nfs/dbraw/zinc/85/30/53/906853053.db2.gz QHBPOLNDWQMNTI-CHWSQXEVSA-N 2 0 298.431 -0.195 20 0 CBADRP CC(C)[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H](C)C(N)=O ZINC001419904167 906856210 /nfs/dbraw/zinc/85/62/10/906856210.db2.gz NMXQOGLHFCZBOO-NWDGAFQWSA-N 2 0 298.431 -0.068 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001419943351 906865317 /nfs/dbraw/zinc/86/53/17/906865317.db2.gz YXEBOWAWNWRNFF-LLVKDONJSA-N 2 0 272.393 -0.443 20 0 CBADRP CC(C)[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]CC(N)=O ZINC001419947844 906870192 /nfs/dbraw/zinc/87/01/92/906870192.db2.gz UCMCBCPFFGYMAB-WCQYABFASA-N 2 0 286.420 -0.212 20 0 CBADRP CN(CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)CC(N)=O ZINC001419973686 906881832 /nfs/dbraw/zinc/88/18/32/906881832.db2.gz UNMMEZFVGVOFFL-LLVKDONJSA-N 2 0 270.377 -0.654 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N[C@H]2C[NH+](C)CC2(C)C)C1 ZINC001420011732 906893202 /nfs/dbraw/zinc/89/32/02/906893202.db2.gz JVLPGXOPXMBIHB-ZDUSSCGKSA-N 2 0 282.432 -0.064 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001420010517 906895247 /nfs/dbraw/zinc/89/52/47/906895247.db2.gz IDSNOHISBMRZLL-QWHCGFSZSA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001420010494 906895656 /nfs/dbraw/zinc/89/56/56/906895656.db2.gz IDSNOHISBMRZLL-CHWSQXEVSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)C(N)=O ZINC001420167002 906978944 /nfs/dbraw/zinc/97/89/44/906978944.db2.gz ZEAVICMMEMQERQ-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)c1)[NH+](C)C ZINC001420172024 906986184 /nfs/dbraw/zinc/98/61/84/906986184.db2.gz IHQAFUDXVAJLOU-OLZOCXBDSA-N 2 0 297.403 -0.673 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)CC[NH+]1CCCCC1 ZINC001420211566 907020977 /nfs/dbraw/zinc/02/09/77/907020977.db2.gz KPTORFZEWUDIMM-CHWSQXEVSA-N 2 0 287.404 -0.690 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001420325151 907102155 /nfs/dbraw/zinc/10/21/55/907102155.db2.gz QRNKTDMSQMOQHL-AGIUHOORSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001420346020 907114245 /nfs/dbraw/zinc/11/42/45/907114245.db2.gz VGYURMWOOUVQQW-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001420432988 907157945 /nfs/dbraw/zinc/15/79/45/907157945.db2.gz BAYRAGHDIIWZSZ-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[NH+](CCNC(=O)CC[N@@H+](C)CC)[C@H]1CCNC1=O ZINC001420436167 907159977 /nfs/dbraw/zinc/15/99/77/907159977.db2.gz GEHUJALZLZYFJM-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP Cc1cncn1CC(=O)NC[C@@H]1CCCN1[C@@H](C)C(N)=O ZINC001420467705 907175638 /nfs/dbraw/zinc/17/56/38/907175638.db2.gz KDBZOMQCEZZVQH-RYUDHWBXSA-N 2 0 293.371 -0.354 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001420499406 907183582 /nfs/dbraw/zinc/18/35/82/907183582.db2.gz GHWWHGCJESRXPS-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@@H](C)C(=O)NC)C1 ZINC001420555119 907206935 /nfs/dbraw/zinc/20/69/35/907206935.db2.gz WZIJROOTFOADQD-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001420711481 907272701 /nfs/dbraw/zinc/27/27/01/907272701.db2.gz CRYMZRVGUKEBFW-RYUDHWBXSA-N 2 0 282.388 -0.641 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)CC[N@@H+]1C ZINC001420736797 907289537 /nfs/dbraw/zinc/28/95/37/907289537.db2.gz MMHBRDVFZKXLBJ-RWMBFGLXSA-N 2 0 296.415 -0.314 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC ZINC001420739234 907291449 /nfs/dbraw/zinc/29/14/49/907291449.db2.gz JMTISVLRUAZQKH-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001420749907 907293446 /nfs/dbraw/zinc/29/34/46/907293446.db2.gz UCCRKPRMYONORN-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001420788385 907296798 /nfs/dbraw/zinc/29/67/98/907296798.db2.gz CMPRXCBVWLHSMB-WCQYABFASA-N 2 0 284.404 -0.458 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001420887131 907336316 /nfs/dbraw/zinc/33/63/16/907336316.db2.gz LUAJTDSYNIXFRH-GFCCVEGCSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C(N)=O ZINC001420939940 907362463 /nfs/dbraw/zinc/36/24/63/907362463.db2.gz IOQYPEYTLWQGNT-GMTAPVOTSA-N 2 0 282.388 -0.561 20 0 CBADRP COC[C@H](O)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001420976959 907381973 /nfs/dbraw/zinc/38/19/73/907381973.db2.gz MOSOTONFBINYPL-QWHCGFSZSA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)CCC[NH+](C)C)CC1)C(N)=O ZINC001420977526 907383394 /nfs/dbraw/zinc/38/33/94/907383394.db2.gz YZFCRVWTTKIHLJ-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2cnnn2C)CC1 ZINC001420995570 907389606 /nfs/dbraw/zinc/38/96/06/907389606.db2.gz YINBYRXIDJEUHP-UHFFFAOYSA-N 2 0 294.403 -0.105 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001421008458 907393265 /nfs/dbraw/zinc/39/32/65/907393265.db2.gz ZLHALEPHDBVTGU-PHIMTYICSA-N 2 0 282.388 -0.417 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)C(N)=O)CC1 ZINC001421007159 907393328 /nfs/dbraw/zinc/39/33/28/907393328.db2.gz VUHYMZYCWNNJKP-RYUDHWBXSA-N 2 0 296.415 -0.027 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001421097042 907425726 /nfs/dbraw/zinc/42/57/26/907425726.db2.gz AATIGKJFBOQUSY-RYUDHWBXSA-N 2 0 284.404 -0.219 20 0 CBADRP COC[C@H](O)C[NH+]1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001421137833 907443704 /nfs/dbraw/zinc/44/37/04/907443704.db2.gz OBBAIQANEFSOFK-CQSZACIVSA-N 2 0 299.415 -0.474 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1CN([C@@H]2CCCNC2=O)C1 ZINC001421182568 907450562 /nfs/dbraw/zinc/45/05/62/907450562.db2.gz GVSNIKUKPXZZJG-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1CN([C@H]2CCCNC2=O)C1 ZINC001421182571 907453986 /nfs/dbraw/zinc/45/39/86/907453986.db2.gz GVSNIKUKPXZZJG-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)CN1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001421293083 907483414 /nfs/dbraw/zinc/48/34/14/907483414.db2.gz XBNJJPXRBZMPFR-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H]1CCNC1=O ZINC001421421372 907540261 /nfs/dbraw/zinc/54/02/61/907540261.db2.gz KFNPEGZJWPUKCA-DGCLKSJQSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001421483271 907563343 /nfs/dbraw/zinc/56/33/43/907563343.db2.gz AHJJQHNLRVXVKE-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(C)C ZINC001421488412 907568789 /nfs/dbraw/zinc/56/87/89/907568789.db2.gz INLUGEGNBPTXBD-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@@H](C)C(=O)NC ZINC001421503456 907569199 /nfs/dbraw/zinc/56/91/99/907569199.db2.gz UFBXMCLWYWHJAI-NWDGAFQWSA-N 2 0 286.420 -0.055 20 0 CBADRP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]CC(=O)N(C)C ZINC001421493081 907570437 /nfs/dbraw/zinc/57/04/37/907570437.db2.gz DEHHAONJJDHMEH-LBPRGKRZSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001421517531 907571530 /nfs/dbraw/zinc/57/15/30/907571530.db2.gz AMTZHGFMZINESS-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001421559521 907580978 /nfs/dbraw/zinc/58/09/78/907580978.db2.gz KRIXJJNTZFWDKM-XHDPSFHLSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001421708102 907623433 /nfs/dbraw/zinc/62/34/33/907623433.db2.gz QVXQHJXXZPZHCH-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC(C)[NH2+]C1(CO)CCN(C[C@H](O)C(C)(C)O)CC1 ZINC001421814450 907652828 /nfs/dbraw/zinc/65/28/28/907652828.db2.gz LALDHHKFDRXUSV-LBPRGKRZSA-N 2 0 274.405 -0.057 20 0 CBADRP CN(CCC[N@H+](C)CC(N)=O)C(=O)C1CC[NH+](C)CC1 ZINC001421866943 907664611 /nfs/dbraw/zinc/66/46/11/907664611.db2.gz MXOPLUMVCBYBEO-UHFFFAOYSA-N 2 0 284.404 -0.406 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001421945185 907686333 /nfs/dbraw/zinc/68/63/33/907686333.db2.gz ZOGRZWTZEUESHE-RYUDHWBXSA-N 2 0 298.431 -0.101 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001421994225 907698184 /nfs/dbraw/zinc/69/81/84/907698184.db2.gz OHUKGACSNPSUGQ-QWHCGFSZSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001421989702 907698436 /nfs/dbraw/zinc/69/84/36/907698436.db2.gz MHHKHYULVNASRU-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001421989640 907699088 /nfs/dbraw/zinc/69/90/88/907699088.db2.gz MESHZSYHLMAUSJ-GHMZBOCLSA-N 2 0 270.377 -0.879 20 0 CBADRP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001422012542 907701787 /nfs/dbraw/zinc/70/17/87/907701787.db2.gz GYINKBMXPVUEFR-QWHCGFSZSA-N 2 0 298.431 -0.066 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H](C)C1 ZINC001422029824 907703703 /nfs/dbraw/zinc/70/37/03/907703703.db2.gz MJVHITCFRUOAQF-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)[C@@H](C)C1 ZINC001422042410 907706756 /nfs/dbraw/zinc/70/67/56/907706756.db2.gz DOHKWYIIFKCCAY-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001422069644 907713320 /nfs/dbraw/zinc/71/33/20/907713320.db2.gz XSASVOSXQRXJMJ-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CC1([NH2+]CC(N)=O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001422071146 907714076 /nfs/dbraw/zinc/71/40/76/907714076.db2.gz YTCWVCYRHRDDGK-UHFFFAOYSA-N 2 0 282.388 -0.462 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(=O)N(C)C ZINC001422128007 907719518 /nfs/dbraw/zinc/71/95/18/907719518.db2.gz OFBMZQSHEGWKAS-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(N)=O ZINC001422111513 907720124 /nfs/dbraw/zinc/72/01/24/907720124.db2.gz XOSXMDZWSCYPMH-RYUDHWBXSA-N 2 0 284.404 -0.456 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001422131043 907724209 /nfs/dbraw/zinc/72/42/09/907724209.db2.gz ITGJGNWHHGVFCC-GFCCVEGCSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H](CCNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC(N)=O ZINC001422151423 907728765 /nfs/dbraw/zinc/72/87/65/907728765.db2.gz WPRUKVOAQAIJMX-LBPRGKRZSA-N 2 0 296.415 -0.168 20 0 CBADRP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)cn1 ZINC001422268149 907771211 /nfs/dbraw/zinc/77/12/11/907771211.db2.gz SSGMWIWICHRNOO-OLZOCXBDSA-N 2 0 295.387 -0.919 20 0 CBADRP C[NH+](C)CCCC(=O)NC1CC(C[NH2+][C@H]2CCNC2=O)C1 ZINC001422275093 907773400 /nfs/dbraw/zinc/77/34/00/907773400.db2.gz XPFWUFIFFFOBHX-BPCQOVAHSA-N 2 0 296.415 -0.299 20 0 CBADRP C[N@H+](CC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCOC1)C1CCC1 ZINC001422321127 907796473 /nfs/dbraw/zinc/79/64/73/907796473.db2.gz WPXRQGYGTOBIMD-TZMCWYRMSA-N 2 0 299.415 -0.426 20 0 CBADRP COC[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001422345082 907810548 /nfs/dbraw/zinc/81/05/48/907810548.db2.gz IVWZHLYEONPDQF-YPMHNXCESA-N 2 0 287.404 -0.570 20 0 CBADRP Cc1cncc(C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)c1 ZINC001422348970 907815942 /nfs/dbraw/zinc/81/59/42/907815942.db2.gz PYBLMXBYKQTIHD-AWEZNQCLSA-N 2 0 294.399 -0.092 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]Cc1cncs1 ZINC001422407758 907843836 /nfs/dbraw/zinc/84/38/36/907843836.db2.gz UWHQIAIXULKGJP-NSHDSACASA-N 2 0 298.412 -0.194 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)CC[NH2+][C@H]1CCNC1=O ZINC001422436803 907856884 /nfs/dbraw/zinc/85/68/84/907856884.db2.gz KEUSATFENWAUOO-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001422534054 907910991 /nfs/dbraw/zinc/91/09/91/907910991.db2.gz CXXYPNJEQKVVQE-GMTAPVOTSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)[C@H]1CCNC1=O ZINC001422556395 907920416 /nfs/dbraw/zinc/92/04/16/907920416.db2.gz ZKLDBTGKXJBTQC-RYUDHWBXSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001422555146 907920818 /nfs/dbraw/zinc/92/08/18/907920818.db2.gz WXNHAOUWLLFTTO-ZYHUDNBSSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)CCC[NH+]1CCCC1 ZINC001422608350 907940280 /nfs/dbraw/zinc/94/02/80/907940280.db2.gz SWIGWCGZBZFKID-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001422693967 907975866 /nfs/dbraw/zinc/97/58/66/907975866.db2.gz AJLOLQGEWASAKS-QWRGUYRKSA-N 2 0 286.420 -0.068 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001422709854 907982373 /nfs/dbraw/zinc/98/23/73/907982373.db2.gz QYMPZBGWMOPURZ-NSHDSACASA-N 2 0 294.403 -0.249 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001422741919 907990891 /nfs/dbraw/zinc/99/08/91/907990891.db2.gz CANXBJZZFCCKLC-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422745201 907994658 /nfs/dbraw/zinc/99/46/58/907994658.db2.gz QBRLNEREWCMRSR-QJPTWQEYSA-N 2 0 273.377 -0.960 20 0 CBADRP CNC(=O)CN(C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001422826649 908026320 /nfs/dbraw/zinc/02/63/20/908026320.db2.gz RMKFEGYKNXGBAM-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[NH+](C)C ZINC001422858124 908037669 /nfs/dbraw/zinc/03/76/69/908037669.db2.gz XLBHNBVQIOOHEL-FQUUOJAGSA-N 2 0 283.416 -0.141 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001422906185 908051487 /nfs/dbraw/zinc/05/14/87/908051487.db2.gz MNDULGAGVQMDSU-JHJVBQTASA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001422913645 908059339 /nfs/dbraw/zinc/05/93/39/908059339.db2.gz JCOXAKSPWTYNRU-GVXVVHGQSA-N 2 0 296.415 -0.314 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001423037215 908082541 /nfs/dbraw/zinc/08/25/41/908082541.db2.gz FHTGVEQDDZZCPM-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)N(C)C)C1CC1)[NH+](C)C ZINC001423044663 908087379 /nfs/dbraw/zinc/08/73/79/908087379.db2.gz XJBBHYQQRYBGSF-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](CN(C)C(=O)COC1CC[NH+](C)CC1)[NH2+]CCO ZINC001423144511 908117476 /nfs/dbraw/zinc/11/74/76/908117476.db2.gz WALKFKNIFNNOMN-LBPRGKRZSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O ZINC001423169028 908123909 /nfs/dbraw/zinc/12/39/09/908123909.db2.gz HBSOAZYSPSPOTF-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCF)CC[N@@H+]1C ZINC001423212850 908157917 /nfs/dbraw/zinc/15/79/17/908157917.db2.gz MAMPYEHOYZGPBI-SDDRHHMPSA-N 2 0 275.368 -0.247 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001423271218 908186807 /nfs/dbraw/zinc/18/68/07/908186807.db2.gz DYBVEJJMIDPGAA-NSHDSACASA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H]([NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1)C(N)=O ZINC001423275641 908188546 /nfs/dbraw/zinc/18/85/46/908188546.db2.gz QOUVJSDBEKVRFQ-GFCCVEGCSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1([NH2+][C@H](C)C(N)=O)CC1 ZINC001423287979 908190703 /nfs/dbraw/zinc/19/07/03/908190703.db2.gz GAZFLUUTEPTRGR-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP CO[C@@H](C)C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001423293896 908191996 /nfs/dbraw/zinc/19/19/96/908191996.db2.gz JJBHELPIELVHSE-NWDGAFQWSA-N 2 0 285.388 -0.816 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1)C(=O)N(C)C ZINC001423302244 908194419 /nfs/dbraw/zinc/19/44/19/908194419.db2.gz JAFUSDVTPWAESA-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1([NH2+]C[C@H](C)O)CC1 ZINC001423302366 908195669 /nfs/dbraw/zinc/19/56/69/908195669.db2.gz KTNWRGCULUOIFF-OLZOCXBDSA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@H]1[C@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001423332096 908205621 /nfs/dbraw/zinc/20/56/21/908205621.db2.gz VLCYVGCAJFYOQD-WCQYABFASA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001423464709 908246742 /nfs/dbraw/zinc/24/67/42/908246742.db2.gz MNLXEKWFHPFFJH-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001423473248 908247859 /nfs/dbraw/zinc/24/78/59/908247859.db2.gz UZOLHHTZCGOBAB-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001423471959 908248612 /nfs/dbraw/zinc/24/86/12/908248612.db2.gz UGHQXAPUTATWNN-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C)C(N)=O ZINC001423480683 908252556 /nfs/dbraw/zinc/25/25/56/908252556.db2.gz WGWBFFDFWVBTHJ-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001423763337 908326114 /nfs/dbraw/zinc/32/61/14/908326114.db2.gz MOOOBFRVFASWJE-UKRRQHHQSA-N 2 0 281.400 -0.099 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(=O)NC)C1 ZINC001423943608 908371550 /nfs/dbraw/zinc/37/15/50/908371550.db2.gz CWZGXHYVXUOGGB-QWHCGFSZSA-N 2 0 298.431 -0.242 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001424038542 908394077 /nfs/dbraw/zinc/39/40/77/908394077.db2.gz GVXKMXVYEUUHMC-QWHCGFSZSA-N 2 0 298.431 -0.242 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H](CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001424094311 908406472 /nfs/dbraw/zinc/40/64/72/908406472.db2.gz XKGOIRWDODNGKK-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CCNC(=O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001424272322 908436143 /nfs/dbraw/zinc/43/61/43/908436143.db2.gz FQINSVNQEVQAPH-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCO ZINC001503577636 921409692 /nfs/dbraw/zinc/40/96/92/921409692.db2.gz RBNWQTCLVNANSQ-NWDGAFQWSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCO ZINC001503577637 921410265 /nfs/dbraw/zinc/41/02/65/921410265.db2.gz RBNWQTCLVNANSQ-RYUDHWBXSA-N 2 0 257.378 -0.195 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001424414641 908457055 /nfs/dbraw/zinc/45/70/55/908457055.db2.gz RTEIRTOMIKKZSD-UKRRQHHQSA-N 2 0 299.415 -0.594 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001424480564 908463058 /nfs/dbraw/zinc/46/30/58/908463058.db2.gz NMCGXKSSYDDYQN-NEPJUHHUSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001424546334 908470981 /nfs/dbraw/zinc/47/09/81/908470981.db2.gz JVZYKIBPKRSPPH-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP O=C(C[NH+]1CCCC1)NC1(CO)CC[NH+](CCO)CC1 ZINC001424648575 908482243 /nfs/dbraw/zinc/48/22/43/908482243.db2.gz MCTUQNBUUOZWDU-UHFFFAOYSA-N 2 0 285.388 -0.982 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001425412676 908640606 /nfs/dbraw/zinc/64/06/06/908640606.db2.gz AFHSNOFGPPGBIZ-JHJVBQTASA-N 2 0 296.415 -0.171 20 0 CBADRP Cn1nncc1C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001425416229 908643607 /nfs/dbraw/zinc/64/36/07/908643607.db2.gz GNXVDPPGPCWYOH-HAQNSBGRSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+][C@H]1CCNC1=O ZINC001425573461 908677630 /nfs/dbraw/zinc/67/76/30/908677630.db2.gz HBIYWXFVCDQLTH-AAEUAGOBSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]Cc1cccnc1 ZINC001425801377 908745261 /nfs/dbraw/zinc/74/52/61/908745261.db2.gz DTNSKHIJUGRZPF-ZDUSSCGKSA-N 2 0 280.372 -0.400 20 0 CBADRP C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001425820924 908750842 /nfs/dbraw/zinc/75/08/42/908750842.db2.gz KAOIHSWMRBGXLD-QWHCGFSZSA-N 2 0 287.404 -0.834 20 0 CBADRP C[NH+]1CCC(OCC(=O)NC[C@@H](CO)[NH2+]CC2CC2)CC1 ZINC001425829377 908755602 /nfs/dbraw/zinc/75/56/02/908755602.db2.gz XIBCGGJLUZEJQA-ZDUSSCGKSA-N 2 0 299.415 -0.426 20 0 CBADRP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)C[NH+]2CCCC2)cn1 ZINC001425841032 908761559 /nfs/dbraw/zinc/76/15/59/908761559.db2.gz PHADNNQISMJKNZ-CYBMUJFWSA-N 2 0 295.387 -0.917 20 0 CBADRP Cn1cc(C[NH2+][C@H](CO)CNC(=O)C[NH+]2CCCC2)cn1 ZINC001425841040 908762937 /nfs/dbraw/zinc/76/29/37/908762937.db2.gz PHADNNQISMJKNZ-ZDUSSCGKSA-N 2 0 295.387 -0.917 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H]1C ZINC001425881301 908772860 /nfs/dbraw/zinc/77/28/60/908772860.db2.gz JXMIZYFZWNSJBD-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H]1[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CCC[NH+](C)C ZINC001425887244 908774559 /nfs/dbraw/zinc/77/45/59/908774559.db2.gz UTFJBXYLTLLASL-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001425953464 908786679 /nfs/dbraw/zinc/78/66/79/908786679.db2.gz CFWDKOASCBNHOB-VXGBXAGGSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001426223387 908848700 /nfs/dbraw/zinc/84/87/00/908848700.db2.gz KVFIVULTMCJVJH-PNESKVBLSA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001505760785 921478862 /nfs/dbraw/zinc/47/88/62/921478862.db2.gz OYYXZGQIYKXXAR-VXGBXAGGSA-N 2 0 286.420 -0.102 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N(C)CCNC(=O)CC[NH+](C)C)C1 ZINC001429472470 909244409 /nfs/dbraw/zinc/24/44/09/909244409.db2.gz USWMPXATWWTJGG-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001430283770 909321604 /nfs/dbraw/zinc/32/16/04/909321604.db2.gz IJODLWGFUXPAIJ-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@@H](C(=O)N1CC(NC(=O)CC[N@H+](C)CC)C1)[NH+](C)C ZINC001430299741 909323242 /nfs/dbraw/zinc/32/32/42/909323242.db2.gz JPEGGNDHEHEVJL-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)[C@H]1CCNC1=O ZINC001505936248 921506618 /nfs/dbraw/zinc/50/66/18/921506618.db2.gz XRMSBMFVGPAVHY-RYUDHWBXSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001433619040 909790647 /nfs/dbraw/zinc/79/06/47/909790647.db2.gz OGEJWZOIKFNUBK-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001433619035 909790704 /nfs/dbraw/zinc/79/07/04/909790704.db2.gz OGEJWZOIKFNUBK-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCN1C(=O)CC[NH+](C)C ZINC001433744694 909841246 /nfs/dbraw/zinc/84/12/46/909841246.db2.gz WNTOFTMXLPFBPP-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP C[N@H+](CC(=O)N1CC([NH2+][C@H]2CCOC2)C1)[C@@H]1CCC[C@H]1O ZINC001434383526 910143640 /nfs/dbraw/zinc/14/36/40/910143640.db2.gz GICZDEALPMBOMA-IACUBPJLSA-N 2 0 297.399 -0.579 20 0 CBADRP Cn1cncc1CCCN1CCn2c(CO)nnc2C1 ZINC001434461435 910198073 /nfs/dbraw/zinc/19/80/73/910198073.db2.gz UCDOVPXGGHCRGN-UHFFFAOYSA-N 2 0 276.344 -0.048 20 0 CBADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C[C@H](O)C[NH+](C)C1CC1 ZINC001434475258 910218453 /nfs/dbraw/zinc/21/84/53/910218453.db2.gz GXBKFPVFOCBIIQ-UMVBOHGHSA-N 2 0 285.432 -0.172 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001436394498 910437341 /nfs/dbraw/zinc/43/73/41/910437341.db2.gz ANOAVNSEKGWETH-XYPYZODXSA-N 2 0 270.377 -0.702 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001436391966 910439378 /nfs/dbraw/zinc/43/93/78/910439378.db2.gz SEFAMNZDXFDILE-JOCQHMNTSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001436878686 910496588 /nfs/dbraw/zinc/49/65/88/910496588.db2.gz XJVPACHRRLLBHT-OLZOCXBDSA-N 2 0 296.415 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001436875840 910499260 /nfs/dbraw/zinc/49/92/60/910499260.db2.gz BXRUCPKRPVEOJS-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001436876527 910499774 /nfs/dbraw/zinc/49/97/74/910499774.db2.gz PLLXIDFRJZKVOV-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001436920171 910508188 /nfs/dbraw/zinc/50/81/88/910508188.db2.gz IHJMOCHVVNWFLM-HAQNSBGRSA-N 2 0 294.403 -0.106 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1)[NH+](CC)CC ZINC001436912793 910509897 /nfs/dbraw/zinc/50/98/97/910509897.db2.gz LKYHWLMFNDXBEI-IJLUTSLNSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001436950740 910517580 /nfs/dbraw/zinc/51/75/80/910517580.db2.gz FVCSVXDUMREBCA-GRYCIOLGSA-N 2 0 296.415 -0.029 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001436964672 910518501 /nfs/dbraw/zinc/51/85/01/910518501.db2.gz MWZSJSQDSKLBCT-SDDRHHMPSA-N 2 0 284.404 -0.301 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001436978181 910522630 /nfs/dbraw/zinc/52/26/30/910522630.db2.gz PHBVZOPNANRRPK-MBNYWOFBSA-N 2 0 296.415 -0.171 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001436977839 910522995 /nfs/dbraw/zinc/52/29/95/910522995.db2.gz WPIMBTNTMKTERV-XQQFMLRXSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001437120635 910551444 /nfs/dbraw/zinc/55/14/44/910551444.db2.gz FCSFOXFKYUTONQ-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001437202944 910584247 /nfs/dbraw/zinc/58/42/47/910584247.db2.gz QWMMZRXJBMBNPE-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H]1CCNC1=O ZINC001437245334 910598839 /nfs/dbraw/zinc/59/88/39/910598839.db2.gz ZUZBBPPUDYVSKH-MNOVXSKESA-N 2 0 280.372 -0.935 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccnn1C ZINC001437258406 910600126 /nfs/dbraw/zinc/60/01/26/910600126.db2.gz HHGCCHIVJQWGHF-NWDGAFQWSA-N 2 0 279.388 -0.034 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001437316521 910612843 /nfs/dbraw/zinc/61/28/43/910612843.db2.gz QJEYESPQUCZGHW-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001437312159 910613396 /nfs/dbraw/zinc/61/33/96/910613396.db2.gz NWHPAQYQLJBORF-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001437322383 910615885 /nfs/dbraw/zinc/61/58/85/910615885.db2.gz GIHXRSHQUHBXAW-CYBMUJFWSA-N 2 0 296.415 -0.214 20 0 CBADRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCCNC1=O ZINC001437420368 910630635 /nfs/dbraw/zinc/63/06/35/910630635.db2.gz BOIWKOIUXKJHAG-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH+]1CCC(OCC(=O)NC[C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001437725150 910737499 /nfs/dbraw/zinc/73/74/99/910737499.db2.gz OLLLAKCCRNCVFK-ZDUSSCGKSA-N 2 0 299.415 -0.472 20 0 CBADRP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001437828869 910755370 /nfs/dbraw/zinc/75/53/70/910755370.db2.gz OCXITXKQPQUBTI-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)CCC[NH+](C)C ZINC001437833632 910761570 /nfs/dbraw/zinc/76/15/70/910761570.db2.gz ZCLUHYKOALIXRX-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001437991398 910789273 /nfs/dbraw/zinc/78/92/73/910789273.db2.gz MCDSFUTYAIZWPU-STQMWFEESA-N 2 0 298.431 -0.018 20 0 CBADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cnnn1C ZINC001438368657 910886596 /nfs/dbraw/zinc/88/65/96/910886596.db2.gz JOEHBDVJNCQROS-GFCCVEGCSA-N 2 0 294.403 -0.105 20 0 CBADRP CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC(=O)NC ZINC001438369148 910886829 /nfs/dbraw/zinc/88/68/29/910886829.db2.gz FYKNSABRQXIWRE-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+](C)C)C[NH2+][C@@H]1CCCNC1=O ZINC001438513723 910908043 /nfs/dbraw/zinc/90/80/43/910908043.db2.gz HLQKRUFTBJTHOE-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H]1CCNC1=O ZINC001438524462 910911161 /nfs/dbraw/zinc/91/11/61/910911161.db2.gz WCKHZCKONMLDEE-GHMZBOCLSA-N 2 0 270.377 -0.832 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001438527503 910911458 /nfs/dbraw/zinc/91/14/58/910911458.db2.gz GHMLPCYEZHELQI-NWDGAFQWSA-N 2 0 284.404 -0.584 20 0 CBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+][C@@H](C)C(N)=O ZINC001438519999 910913486 /nfs/dbraw/zinc/91/34/86/910913486.db2.gz LLQBKPXFQOSERK-QWRGUYRKSA-N 2 0 284.404 -0.456 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1nnnn1C ZINC001438549561 910917010 /nfs/dbraw/zinc/91/70/10/910917010.db2.gz RMWXANZQEXKPQI-WDEREUQCSA-N 2 0 295.391 -0.996 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)CC1 ZINC001506801393 921618789 /nfs/dbraw/zinc/61/87/89/921618789.db2.gz DITMBEZAGAYFBO-XYYAHUGASA-N 2 0 281.400 -0.386 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)[NH+](C)C ZINC001506820877 921621102 /nfs/dbraw/zinc/62/11/02/921621102.db2.gz XWHGTLBOXAMZSF-YFKTTZPYSA-N 2 0 282.388 -0.894 20 0 CBADRP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001438843086 910976554 /nfs/dbraw/zinc/97/65/54/910976554.db2.gz SSERMMUPHUYBIF-QWHCGFSZSA-N 2 0 298.431 -0.243 20 0 CBADRP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001438843080 910977704 /nfs/dbraw/zinc/97/77/04/910977704.db2.gz SSERMMUPHUYBIF-OLZOCXBDSA-N 2 0 298.431 -0.243 20 0 CBADRP C[C@@H]([NH2+]CCO)[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001506837745 921626326 /nfs/dbraw/zinc/62/63/26/921626326.db2.gz TUMXEHAGUZNJOK-CHWSQXEVSA-N 2 0 299.415 -0.332 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)CCC[NH+](C)C ZINC001439076536 911090559 /nfs/dbraw/zinc/09/05/59/911090559.db2.gz HWIQVFOTTBYUEP-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001439077032 911090616 /nfs/dbraw/zinc/09/06/16/911090616.db2.gz RWWAZEMBUDWOSL-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H](CC[NH2+][C@H]1CCN(C)C1=O)NC(=O)C[NH+]1CCCC1 ZINC001439078293 911090941 /nfs/dbraw/zinc/09/09/41/911090941.db2.gz VGVUSYMPSRYKQU-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001439083917 911095311 /nfs/dbraw/zinc/09/53/11/911095311.db2.gz MDXAVIVUWANGJZ-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001439150890 911118463 /nfs/dbraw/zinc/11/84/63/911118463.db2.gz TYHLADQZMNRHED-GHMZBOCLSA-N 2 0 270.377 -0.737 20 0 CBADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(N)=O ZINC001439159245 911120335 /nfs/dbraw/zinc/12/03/35/911120335.db2.gz PSAKELIGSRZWLP-NEPJUHHUSA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001439151334 911120357 /nfs/dbraw/zinc/12/03/57/911120357.db2.gz CXGSEKAWQRPBID-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001439148109 911121490 /nfs/dbraw/zinc/12/14/90/911121490.db2.gz JSDVISPPAMOQCQ-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001439223795 911146766 /nfs/dbraw/zinc/14/67/66/911146766.db2.gz DPQKWTTWYDBUSY-HBNTYKKESA-N 2 0 270.377 -0.691 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001439268027 911161877 /nfs/dbraw/zinc/16/18/77/911161877.db2.gz FXFNCEAKCNMDGR-QWRGUYRKSA-N 2 0 270.377 -0.832 20 0 CBADRP C[C@@H](CCC[NH2+]CC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001506927941 921643098 /nfs/dbraw/zinc/64/30/98/921643098.db2.gz CCESXQVGLXKHTM-LBPRGKRZSA-N 2 0 296.415 -0.025 20 0 CBADRP CC1CC[NH+](CC(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)CC1 ZINC001439484655 911216695 /nfs/dbraw/zinc/21/66/95/911216695.db2.gz JNSAXRWKZWNJHB-CYBMUJFWSA-N 2 0 296.415 -0.312 20 0 CBADRP NC(=O)C[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001439484074 911217254 /nfs/dbraw/zinc/21/72/54/911217254.db2.gz LGVAMWHHVWTSOM-LLVKDONJSA-N 2 0 280.372 -0.948 20 0 CBADRP CC[C@H]([NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1)C(N)=O ZINC001439490621 911221932 /nfs/dbraw/zinc/22/19/32/911221932.db2.gz DOMXCEAKAXNSDU-QWHCGFSZSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)C1(C(=O)NCC2([NH2+][C@H]3CCNC3=O)CC2)CCC1 ZINC001439616498 911259202 /nfs/dbraw/zinc/25/92/02/911259202.db2.gz UFTRSLJWACHVES-NSHDSACASA-N 2 0 294.399 -0.402 20 0 CBADRP CC[C@H](C(=O)NCC1([NH2+]Cc2cnnn2C)CC1)[NH+](C)C ZINC001439626013 911259228 /nfs/dbraw/zinc/25/92/28/911259228.db2.gz XHJLNPSXYBFZTI-GFCCVEGCSA-N 2 0 294.403 -0.106 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001439905163 911309622 /nfs/dbraw/zinc/30/96/22/911309622.db2.gz WWGKDYLJCWZMGU-RISCZKNCSA-N 2 0 282.388 -0.606 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001439953839 911316127 /nfs/dbraw/zinc/31/61/27/911316127.db2.gz KPDVGQDEYJMROO-ZDUSSCGKSA-N 2 0 299.415 -0.282 20 0 CBADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001507003331 921652139 /nfs/dbraw/zinc/65/21/39/921652139.db2.gz UBFAQYIKDFIONV-NWDGAFQWSA-N 2 0 282.388 -0.608 20 0 CBADRP COCC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001439992560 911335443 /nfs/dbraw/zinc/33/54/43/911335443.db2.gz SZUJTVWMGVQZKI-OAHLLOKOSA-N 2 0 299.415 -0.330 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001440010359 911340491 /nfs/dbraw/zinc/34/04/91/911340491.db2.gz MOLLSXVRZZBMJI-DOMZBBRYSA-N 2 0 299.415 -0.738 20 0 CBADRP CCCN1CC(O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001440090362 911377945 /nfs/dbraw/zinc/37/79/45/911377945.db2.gz SECNUSYKXFYXAI-UHFFFAOYSA-N 2 0 299.415 -0.330 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001440315551 911428534 /nfs/dbraw/zinc/42/85/34/911428534.db2.gz FDIIRQDUWSZPSR-UPJWGTAASA-N 2 0 298.431 -0.053 20 0 CBADRP CN(CCC[N@H+](C)CC(N)=O)C(=O)C[NH+](C)C1CCC1 ZINC001440434641 911453143 /nfs/dbraw/zinc/45/31/43/911453143.db2.gz RNLUPCHZYXDAOB-UHFFFAOYSA-N 2 0 284.404 -0.264 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCO ZINC001507073011 921669056 /nfs/dbraw/zinc/66/90/56/921669056.db2.gz KMBNXSJVDKCNCV-WCQYABFASA-N 2 0 269.389 -0.243 20 0 CBADRP CCN1CC(CCO)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001441073750 911603895 /nfs/dbraw/zinc/60/38/95/911603895.db2.gz FAXIKDWOWOCSOC-UHFFFAOYSA-N 2 0 299.415 -0.330 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001441248384 911630456 /nfs/dbraw/zinc/63/04/56/911630456.db2.gz AURWNADTJBHWLN-STQMWFEESA-N 2 0 296.415 -0.489 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)CC1 ZINC001441236528 911631749 /nfs/dbraw/zinc/63/17/49/911631749.db2.gz BINHOTFJKZXBBM-LLVKDONJSA-N 2 0 282.388 -0.702 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001441274914 911636936 /nfs/dbraw/zinc/63/69/36/911636936.db2.gz CRNPTRFLVRIAPQ-RVMXOQNASA-N 2 0 294.399 -0.879 20 0 CBADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001441362924 911651792 /nfs/dbraw/zinc/65/17/92/911651792.db2.gz ASAIKMVOWYWEMC-YFKTTZPYSA-N 2 0 282.388 -0.704 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001441400854 911662827 /nfs/dbraw/zinc/66/28/27/911662827.db2.gz SZTSKTRCXFVJMW-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001441419777 911665592 /nfs/dbraw/zinc/66/55/92/911665592.db2.gz OUESZTBZPUHZTE-HAQNSBGRSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC001441487620 911680908 /nfs/dbraw/zinc/68/09/08/911680908.db2.gz NAQYBJDFHRRVOW-MXWKQRLJSA-N 2 0 282.388 -0.419 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC001441487619 911682212 /nfs/dbraw/zinc/68/22/12/911682212.db2.gz NAQYBJDFHRRVOW-GARJFASQSA-N 2 0 282.388 -0.419 20 0 CBADRP C[C@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+][C@H](C)C(N)=O ZINC001441544503 911697716 /nfs/dbraw/zinc/69/77/16/911697716.db2.gz WIVNMNHEKHTTCG-GHMZBOCLSA-N 2 0 284.404 -0.219 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001441544195 911698179 /nfs/dbraw/zinc/69/81/79/911698179.db2.gz GXPQIXSDACGUAT-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H](C)C(N)=O ZINC001441544505 911702257 /nfs/dbraw/zinc/70/22/57/911702257.db2.gz WIVNMNHEKHTTCG-MNOVXSKESA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H](C)C(N)=O ZINC001441544508 911703421 /nfs/dbraw/zinc/70/34/21/911703421.db2.gz WIVNMNHEKHTTCG-QWRGUYRKSA-N 2 0 284.404 -0.219 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001441581792 911711479 /nfs/dbraw/zinc/71/14/79/911711479.db2.gz BVLMJFNVRVVOEE-NWDGAFQWSA-N 2 0 298.431 -0.101 20 0 CBADRP Cc1cccnc1C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C ZINC001441756093 911781790 /nfs/dbraw/zinc/78/17/90/911781790.db2.gz XINUBHOZFLTPOC-ZDUSSCGKSA-N 2 0 294.399 -0.092 20 0 CBADRP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N1CCC1 ZINC001507156391 921691094 /nfs/dbraw/zinc/69/10/94/921691094.db2.gz XPCOGIGFFGXLNJ-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N1CCC1 ZINC001507156390 921691960 /nfs/dbraw/zinc/69/19/60/921691960.db2.gz XPCOGIGFFGXLNJ-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCO)[NH+]1CCCC1 ZINC001441840096 911829002 /nfs/dbraw/zinc/82/90/02/911829002.db2.gz YVEGIOUSYVZYOB-STQMWFEESA-N 2 0 287.404 -0.834 20 0 CBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001441838523 911832328 /nfs/dbraw/zinc/83/23/28/911832328.db2.gz GOQYNWCXBCKMBT-NEPJUHHUSA-N 2 0 296.415 -0.204 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001441935178 911857173 /nfs/dbraw/zinc/85/71/73/911857173.db2.gz QOVHAIXNKAGIHP-RYUDHWBXSA-N 2 0 294.399 -0.558 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001441935169 911858929 /nfs/dbraw/zinc/85/89/29/911858929.db2.gz QOVHAIXNKAGIHP-NWDGAFQWSA-N 2 0 294.399 -0.558 20 0 CBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H]1CCCNC1=O ZINC001442010982 911893480 /nfs/dbraw/zinc/89/34/80/911893480.db2.gz OXBLQOCMIYGRLC-RYUDHWBXSA-N 2 0 294.399 -0.545 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cnn(C)c1 ZINC001442052745 911908255 /nfs/dbraw/zinc/90/82/55/911908255.db2.gz PQEPVCNMFKQCIF-WCQYABFASA-N 2 0 279.388 -0.034 20 0 CBADRP CC(C)CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001442051475 911910675 /nfs/dbraw/zinc/91/06/75/911910675.db2.gz NQGCHDYTTWCPAU-QWHCGFSZSA-N 2 0 298.431 -0.195 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001442298210 911962547 /nfs/dbraw/zinc/96/25/47/911962547.db2.gz VUCXLLHYCYQLEO-LLVKDONJSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1cn(C)nn1 ZINC001442289752 911963167 /nfs/dbraw/zinc/96/31/67/911963167.db2.gz OCYLGXMTNVROAP-NSHDSACASA-N 2 0 282.392 -0.249 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001442335813 911974920 /nfs/dbraw/zinc/97/49/20/911974920.db2.gz DUPYTGDCDPBSNA-VXGBXAGGSA-N 2 0 294.403 -0.249 20 0 CBADRP C[N@H+](CCNC(=O)C1CC1)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001442610223 912060946 /nfs/dbraw/zinc/06/09/46/912060946.db2.gz MLCWAIWXTGFBOB-ZDUSSCGKSA-N 2 0 296.415 -0.488 20 0 CBADRP CN(CCNC(=O)C[NH+]1CCCC1)[C@H]1CCCNC1=O ZINC001442616131 912061853 /nfs/dbraw/zinc/06/18/53/912061853.db2.gz ZJBMDEGZIRGMGM-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP CN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001443073879 912149053 /nfs/dbraw/zinc/14/90/53/912149053.db2.gz AWYLFWZOFNCOHP-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001443107878 912155730 /nfs/dbraw/zinc/15/57/30/912155730.db2.gz ZIMNCNABPGZJQE-QWRGUYRKSA-N 2 0 270.377 -0.750 20 0 CBADRP COCC[NH2+][C@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001507224222 921756496 /nfs/dbraw/zinc/75/64/96/921756496.db2.gz GHFYJWYQRGVMGI-LBPRGKRZSA-N 2 0 287.404 -0.426 20 0 CBADRP CN(CC[N@H+](C)CCO)C(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001470572973 915508212 /nfs/dbraw/zinc/50/82/12/915508212.db2.gz WYMRKQPCGSOVPR-GFCCVEGCSA-N 2 0 275.368 -0.197 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)[NH2+]CC2CC2)C1 ZINC001507251351 921784753 /nfs/dbraw/zinc/78/47/53/921784753.db2.gz CLSAJVOTCGBFRH-CHWSQXEVSA-N 2 0 269.389 -0.195 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001472084035 915691719 /nfs/dbraw/zinc/69/17/19/915691719.db2.gz XZGVEUQBRKAQTQ-ZYHUDNBSSA-N 2 0 253.346 -0.330 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCF ZINC001507264684 921791211 /nfs/dbraw/zinc/79/12/11/921791211.db2.gz KXCFRPGTRFSIJN-NWDGAFQWSA-N 2 0 275.368 -0.103 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NC[C@H]2C[NH+]3CCC2CC3)C1 ZINC001472231386 915710962 /nfs/dbraw/zinc/71/09/62/915710962.db2.gz ABYMRKMZDBKABE-AWEZNQCLSA-N 2 0 294.443 -0.062 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)CC[NH+]1CCCCC1 ZINC001507265275 921794528 /nfs/dbraw/zinc/79/45/28/921794528.db2.gz QMVAYHCUWXGYEU-CHWSQXEVSA-N 2 0 287.404 -0.690 20 0 CBADRP C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)CC[NH+]1CCCCC1 ZINC001507265277 921796072 /nfs/dbraw/zinc/79/60/72/921796072.db2.gz QMVAYHCUWXGYEU-OLZOCXBDSA-N 2 0 287.404 -0.690 20 0 CBADRP Nc1nc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)nc(N)[nH+]1 ZINC001472895999 915782256 /nfs/dbraw/zinc/78/22/56/915782256.db2.gz PXEIRFNXNNICGM-DTWKUNHWSA-N 2 0 279.348 -0.929 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2C1 ZINC001479674839 916152210 /nfs/dbraw/zinc/15/22/10/916152210.db2.gz TZEPRBTZXGFVSR-OLZOCXBDSA-N 2 0 296.415 -0.408 20 0 CBADRP CCN1CC[C@H]([N@H+](C)CCCNC(=O)CC[NH+](C)C)C1=O ZINC001479793657 916181426 /nfs/dbraw/zinc/18/14/26/916181426.db2.gz MBYZBAPWEVJNIJ-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CCn1cncn1 ZINC001479812957 916183561 /nfs/dbraw/zinc/18/35/61/916183561.db2.gz URVMTALVIDPOBC-CYBMUJFWSA-N 2 0 294.403 -0.332 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]([NH2+]CCO)C2CC2)C1 ZINC001480047351 916272635 /nfs/dbraw/zinc/27/26/35/916272635.db2.gz RBRNOOBIQTZBFL-WCQYABFASA-N 2 0 269.389 -0.195 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001480156221 916311525 /nfs/dbraw/zinc/31/15/25/916311525.db2.gz JOTPCWYQCQUBNE-JOCQHMNTSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](C)O)C1)[NH+](C)C ZINC001480166912 916316311 /nfs/dbraw/zinc/31/63/11/916316311.db2.gz DYVYKCBBMHGOIK-FIQHERPVSA-N 2 0 257.378 -0.056 20 0 CBADRP CC[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C1)OC ZINC001480198011 916326430 /nfs/dbraw/zinc/32/64/30/916326430.db2.gz FAHRPPBWGMMLEN-RQJABVFESA-N 2 0 299.415 -0.021 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001480231908 916339672 /nfs/dbraw/zinc/33/96/72/916339672.db2.gz HVOAEFLORZBVFS-XQHKEYJVSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cnnn1C ZINC001480538377 916466166 /nfs/dbraw/zinc/46/61/66/916466166.db2.gz XRYQAYHJOCPWBI-NWDGAFQWSA-N 2 0 294.403 -0.249 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001480561001 916473874 /nfs/dbraw/zinc/47/38/74/916473874.db2.gz YSSYZWNVHFVNSC-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CC(N)=O)CC1 ZINC001480563689 916474022 /nfs/dbraw/zinc/47/40/22/916474022.db2.gz ZWCTVADIJZURPS-LLVKDONJSA-N 2 0 284.404 -0.314 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001480561028 916474610 /nfs/dbraw/zinc/47/46/10/916474610.db2.gz YSSYZWNVHFVNSC-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CC(N)=O)[NH+](C)C ZINC001480574629 916477805 /nfs/dbraw/zinc/47/78/05/916477805.db2.gz GSXZLUPXBZAMIZ-MWLCHTKSSA-N 2 0 258.366 -0.848 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001480566936 916480002 /nfs/dbraw/zinc/48/00/02/916480002.db2.gz XNMLNROQTSCUHP-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480590821 916488517 /nfs/dbraw/zinc/48/85/17/916488517.db2.gz VNCDLSBHRXHIPJ-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]CCCO)C2)C1 ZINC001480622161 916500979 /nfs/dbraw/zinc/50/09/79/916500979.db2.gz XGBBXHBTIBFWKK-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001480639424 916506582 /nfs/dbraw/zinc/50/65/82/916506582.db2.gz ZNEYEKBJMBHVAV-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@H](CCNC(=O)CCC[NH+](C)C)[NH2+][C@H]1CCNC1=O ZINC001480788309 916540549 /nfs/dbraw/zinc/54/05/49/916540549.db2.gz HHKTVGZYUXSYMM-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[N@H+](CCO)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480866088 916592939 /nfs/dbraw/zinc/59/29/39/916592939.db2.gz VNVBHIPAEMMCPX-GFCCVEGCSA-N 2 0 255.362 -0.632 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCNC1=O ZINC001480983361 916672729 /nfs/dbraw/zinc/67/27/29/916672729.db2.gz YOJONNXZJVHYCB-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCNC1=O ZINC001480983362 916676645 /nfs/dbraw/zinc/67/66/45/916676645.db2.gz YOJONNXZJVHYCB-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)[C@H]1CCNC1=O ZINC001481000326 916682122 /nfs/dbraw/zinc/68/21/22/916682122.db2.gz VMDPWCPXYMIQPN-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH+](CC)[C@@H]1CCNC1=O ZINC001481012899 916688130 /nfs/dbraw/zinc/68/81/30/916688130.db2.gz DTAQWYIWEOEWRN-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001481127409 916730246 /nfs/dbraw/zinc/73/02/46/916730246.db2.gz VDRLKZMQWATGBS-RYUDHWBXSA-N 2 0 284.404 -0.362 20 0 CBADRP COC[C@@H](O)C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001481162169 916740404 /nfs/dbraw/zinc/74/04/04/916740404.db2.gz GBXLZFPAXNNBGK-KBPBESRZSA-N 2 0 299.415 -0.332 20 0 CBADRP COC[C@@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001481247012 916785302 /nfs/dbraw/zinc/78/53/02/916785302.db2.gz FJVFJVRDUOWLEU-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP COC[C@H](O)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001481247010 916785717 /nfs/dbraw/zinc/78/57/17/916785717.db2.gz FJVFJVRDUOWLEU-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CN(CC[NH2+]CCO)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001481242701 916786318 /nfs/dbraw/zinc/78/63/18/916786318.db2.gz SVOSNMUDYASSLE-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP COC[C@H](O)C[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001481279733 916804421 /nfs/dbraw/zinc/80/44/21/916804421.db2.gz KGASXUAAZXESPP-CHWSQXEVSA-N 2 0 287.404 -0.617 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001481306375 916815733 /nfs/dbraw/zinc/81/57/33/916815733.db2.gz OJEWEJGRBLGVFR-ZDUSSCGKSA-N 2 0 296.419 -0.051 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)C[NH+]1CCCC1)C(N)=O ZINC001481314312 916817568 /nfs/dbraw/zinc/81/75/68/916817568.db2.gz DJWRKXBYQCBESU-SNVBAGLBSA-N 2 0 256.350 -0.996 20 0 CBADRP C[N@H+](CCO)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001481478715 916843935 /nfs/dbraw/zinc/84/39/35/916843935.db2.gz AOGSXSROFCDLAK-STQMWFEESA-N 2 0 269.389 -0.147 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCO)C1)[NH+](C)C ZINC001481692666 916953707 /nfs/dbraw/zinc/95/37/07/916953707.db2.gz GRUBELSWEORJEF-NWDGAFQWSA-N 2 0 257.378 -0.245 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H]1CC[N@H+](CCO)C1 ZINC001481752064 916974798 /nfs/dbraw/zinc/97/47/98/916974798.db2.gz VCLYXGLHRJUQJF-UONOGXRCSA-N 2 0 299.415 -0.520 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)[C@H]1CC[N@H+](CCO)C1 ZINC001481752062 916977440 /nfs/dbraw/zinc/97/74/40/916977440.db2.gz VCLYXGLHRJUQJF-KBPBESRZSA-N 2 0 299.415 -0.520 20 0 CBADRP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001481812527 916994597 /nfs/dbraw/zinc/99/45/97/916994597.db2.gz OCYXNBSBHKHRIC-JHJVBQTASA-N 2 0 298.431 -0.053 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001481849790 917002636 /nfs/dbraw/zinc/00/26/36/917002636.db2.gz FYSQFBKLDGORBQ-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC ZINC001481870500 917009948 /nfs/dbraw/zinc/00/99/48/917009948.db2.gz MYRLJZPCIDDRQM-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC ZINC001481870499 917011813 /nfs/dbraw/zinc/01/18/13/917011813.db2.gz MYRLJZPCIDDRQM-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481873587 917012139 /nfs/dbraw/zinc/01/21/39/917012139.db2.gz BFHQWJSQCYIVSS-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCCO ZINC001481878978 917014093 /nfs/dbraw/zinc/01/40/93/917014093.db2.gz MBPSAQWWMWVKCI-LBPRGKRZSA-N 2 0 257.378 -0.051 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@](C)(C[NH2+]CCO)C1CC1 ZINC001481941573 917024297 /nfs/dbraw/zinc/02/42/97/917024297.db2.gz UUVDPLKTHDUNDQ-ZDUSSCGKSA-N 2 0 257.378 -0.195 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001482057701 917031703 /nfs/dbraw/zinc/03/17/03/917031703.db2.gz QLRRRMHMMHMWOW-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1nncn1C ZINC001482085323 917045879 /nfs/dbraw/zinc/04/58/79/917045879.db2.gz OITXANRZFMVYFS-RYUDHWBXSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001482117041 917058777 /nfs/dbraw/zinc/05/87/77/917058777.db2.gz LSQMSCSEEYEDNQ-VXGBXAGGSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1cnon1 ZINC001482138686 917064494 /nfs/dbraw/zinc/06/44/94/917064494.db2.gz XLFQZJPYHVUFSX-JTQLQIEISA-N 2 0 269.349 -0.137 20 0 CBADRP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)N(C)C ZINC001482159706 917070143 /nfs/dbraw/zinc/07/01/43/917070143.db2.gz RCBSYDVDZRSZOW-CHWSQXEVSA-N 2 0 298.431 -0.242 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ncnn1C ZINC001482168324 917070772 /nfs/dbraw/zinc/07/07/72/917070772.db2.gz MSAIRJKYOKBSIX-RYUDHWBXSA-N 2 0 294.403 -0.391 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ncnn1C ZINC001482168323 917072481 /nfs/dbraw/zinc/07/24/81/917072481.db2.gz MSAIRJKYOKBSIX-NWDGAFQWSA-N 2 0 294.403 -0.391 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)NC ZINC001482173285 917075507 /nfs/dbraw/zinc/07/55/07/917075507.db2.gz IYCAPWHTIAIXBM-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482295684 917118246 /nfs/dbraw/zinc/11/82/46/917118246.db2.gz DTNMQBLJVOVYTE-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CCN1CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)C1=O ZINC001482325841 917126860 /nfs/dbraw/zinc/12/68/60/917126860.db2.gz MSFMMJMECCRULY-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O)[NH+](C)C ZINC001482354443 917136348 /nfs/dbraw/zinc/13/63/48/917136348.db2.gz QTKNWOZJEARDBR-ZJUUUORDSA-N 2 0 258.366 -0.752 20 0 CBADRP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O)[NH+](C)C ZINC001482354440 917136625 /nfs/dbraw/zinc/13/66/25/917136625.db2.gz QTKNWOZJEARDBR-UWVGGRQHSA-N 2 0 258.366 -0.752 20 0 CBADRP C[C@H](F)CC[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001482793442 917287847 /nfs/dbraw/zinc/28/78/47/917287847.db2.gz PGSKMRJCMMDNTP-NWDGAFQWSA-N 2 0 275.368 -0.103 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]C[C@@H]1CCCOC1 ZINC001482791405 917288264 /nfs/dbraw/zinc/28/82/64/917288264.db2.gz ASVMSPUKFWHXNU-UONOGXRCSA-N 2 0 299.415 -0.425 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC2CCOCC2)C1 ZINC001482791460 917288691 /nfs/dbraw/zinc/28/86/91/917288691.db2.gz SHUVZOUHWNHZCD-KBPBESRZSA-N 2 0 299.415 -0.569 20 0 CBADRP C[C@H](CC[NH2+]CC(N)=O)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482841195 917310584 /nfs/dbraw/zinc/31/05/84/917310584.db2.gz CRHDDICJTMRQIK-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](CC[NH2+][C@H]1CCCNC1=O)NC(=O)CC[NH+](C)C ZINC001482866655 917315641 /nfs/dbraw/zinc/31/56/41/917315641.db2.gz BRNIJZSGCMKIHZ-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](CC[NH2+]CCO)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482887691 917326637 /nfs/dbraw/zinc/32/66/37/917326637.db2.gz DYOXAVLLZMXPQG-NEPJUHHUSA-N 2 0 257.378 -0.195 20 0 CBADRP CCN(CC[NH2+]CC(=O)NC)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482914622 917333850 /nfs/dbraw/zinc/33/38/50/917333850.db2.gz RLQZPDNNTPRUNF-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482925161 917339130 /nfs/dbraw/zinc/33/91/30/917339130.db2.gz LZLHFQRNLAFDHA-IJLUTSLNSA-N 2 0 284.404 -0.362 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCCO ZINC001482990703 917360238 /nfs/dbraw/zinc/36/02/38/917360238.db2.gz GQYWSHZKWKTVDK-DLGQBQFBSA-N 2 0 255.362 -0.275 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+][C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001483008204 917372111 /nfs/dbraw/zinc/37/21/11/917372111.db2.gz HUEHQWBGDZRGNW-ZUEAMBOYSA-N 2 0 294.399 -0.523 20 0 CBADRP C[C@@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001483009129 917372565 /nfs/dbraw/zinc/37/25/65/917372565.db2.gz RGUSMPYCAPEIMX-VWLQNONNSA-N 2 0 282.388 -0.538 20 0 CBADRP C[C@@H](O)C[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001483053554 917392946 /nfs/dbraw/zinc/39/29/46/917392946.db2.gz FOHRJNSPYXACKQ-VSQXVHSFSA-N 2 0 269.389 -0.029 20 0 CBADRP CN(C)C(=O)C[NH2+]C/C=C/CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001483082725 917404028 /nfs/dbraw/zinc/40/40/28/917404028.db2.gz VQOMZEPWNFWMDM-MUBLQREKSA-N 2 0 296.415 -0.322 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+][C@H]1CCN(C)C1=O ZINC001483097184 917408054 /nfs/dbraw/zinc/40/80/54/917408054.db2.gz ITHXRNPCJBVIGF-SZZPACECSA-N 2 0 296.415 -0.181 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC ZINC001483099327 917408273 /nfs/dbraw/zinc/40/82/73/917408273.db2.gz XLTMHGDLHQXDIS-CFHLNLSMSA-N 2 0 296.415 -0.131 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483166129 917447320 /nfs/dbraw/zinc/44/73/20/917447320.db2.gz AGCXQFORHQNIIU-JHJVBQTASA-N 2 0 287.404 -0.570 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001483198586 917460734 /nfs/dbraw/zinc/46/07/34/917460734.db2.gz VGZAXBWHXGMGDV-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001483197608 917462211 /nfs/dbraw/zinc/46/22/11/917462211.db2.gz MZVKAHYQGNDZKF-DGCLKSJQSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001483197609 917462707 /nfs/dbraw/zinc/46/27/07/917462707.db2.gz MZVKAHYQGNDZKF-YPMHNXCESA-N 2 0 284.404 -0.314 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001483286035 917506031 /nfs/dbraw/zinc/50/60/31/917506031.db2.gz JDFGPRGWLMAWAX-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001483296540 917508734 /nfs/dbraw/zinc/50/87/34/917508734.db2.gz JZESWQRLFZXWAK-QWRGUYRKSA-N 2 0 298.387 -0.774 20 0 CBADRP C[C@H](C[N@H+](C)CCO)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483340337 917540147 /nfs/dbraw/zinc/54/01/47/917540147.db2.gz ZRJAPJBQJIWXGC-YPMHNXCESA-N 2 0 269.389 -0.243 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CCCO)C2CC2)C1 ZINC001483604900 917601510 /nfs/dbraw/zinc/60/15/10/917601510.db2.gz AGFKMWHADLMXEW-QWHCGFSZSA-N 2 0 269.389 -0.195 20 0 CBADRP C[NH+](C)CCCC(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001483762434 917671444 /nfs/dbraw/zinc/67/14/44/917671444.db2.gz JBPJLGYXHNCZJR-UHFFFAOYSA-N 2 0 256.350 -0.948 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC2([NH2+][C@@H]3CCNC3=O)CC2)CC1 ZINC001483762977 917673704 /nfs/dbraw/zinc/67/37/04/917673704.db2.gz RGOOFDLHNAYKHO-LLVKDONJSA-N 2 0 294.399 -0.545 20 0 CBADRP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001483790370 917680399 /nfs/dbraw/zinc/68/03/99/917680399.db2.gz GQKICHRFGAWVJF-MNOVXSKESA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001483790371 917680988 /nfs/dbraw/zinc/68/09/88/917680988.db2.gz GQKICHRFGAWVJF-QWRGUYRKSA-N 2 0 255.362 -0.443 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001483847256 917684295 /nfs/dbraw/zinc/68/42/95/917684295.db2.gz GVEGRSWRQLXDMW-CQSZACIVSA-N 2 0 282.388 -0.652 20 0 CBADRP C[NH+]1CCC(CC(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)CC1 ZINC001483946785 917711858 /nfs/dbraw/zinc/71/18/58/917711858.db2.gz SQGMLDQTCXRKKY-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001483953032 917712806 /nfs/dbraw/zinc/71/28/06/917712806.db2.gz UHTQMWGTPIWCHE-LBPRGKRZSA-N 2 0 294.399 -0.591 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483945493 917713243 /nfs/dbraw/zinc/71/32/43/917713243.db2.gz ZCOMOKKIYVUKHC-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001483959573 917717514 /nfs/dbraw/zinc/71/75/14/917717514.db2.gz YIZRFECQSCGKPE-LBPRGKRZSA-N 2 0 284.404 -0.347 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCOCCO)C2)C1 ZINC001484072492 917729595 /nfs/dbraw/zinc/72/95/95/917729595.db2.gz VOQVBYJUVAIYIQ-HIFRSBDPSA-N 2 0 299.415 -0.472 20 0 CBADRP COCC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001484235517 917780094 /nfs/dbraw/zinc/78/00/94/917780094.db2.gz JSGCGLLHLHHLLU-UKRRQHHQSA-N 2 0 299.415 -0.472 20 0 CBADRP COCC[N@@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001484246399 917788726 /nfs/dbraw/zinc/78/87/26/917788726.db2.gz JVEWMNVUCRFVCE-HNNXBMFYSA-N 2 0 297.399 -0.718 20 0 CBADRP CC(C)[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001484252630 917790305 /nfs/dbraw/zinc/79/03/05/917790305.db2.gz VZWGYNABIOSQLZ-OCCSQVGLSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[C@H](C(=O)NC[C@]1(O)CC[N@H+](CC)C1)[NH+](C)C ZINC001484248084 917792423 /nfs/dbraw/zinc/79/24/23/917792423.db2.gz ZNSDAURTEIOIOF-DGCLKSJQSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C[NH2+]CCO ZINC001484380513 917834990 /nfs/dbraw/zinc/83/49/90/917834990.db2.gz JCABGUHXURDZID-OLZOCXBDSA-N 2 0 281.400 -0.241 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@]1(CO)CCC[NH+](CCO)C1 ZINC001484446782 917854677 /nfs/dbraw/zinc/85/46/77/917854677.db2.gz DBALPAKUFBXABC-CQSZACIVSA-N 2 0 287.404 -0.736 20 0 CBADRP C[C@H](O)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001484649222 917907106 /nfs/dbraw/zinc/90/71/06/917907106.db2.gz HFRVJMPYJSIDEN-NSHDSACASA-N 2 0 257.378 -0.053 20 0 CBADRP O=C(CCC[NH+]1CCCC1)N1CCO[C@@H](C[NH2+]CCO)C1 ZINC001484699844 917925396 /nfs/dbraw/zinc/92/53/96/917925396.db2.gz HXMCSRFOSRAKPB-AWEZNQCLSA-N 2 0 299.415 -0.328 20 0 CBADRP CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CCO)C1)[NH+](C)C ZINC001484697478 917926210 /nfs/dbraw/zinc/92/62/10/917926210.db2.gz VUAFPURATHFACW-RYUDHWBXSA-N 2 0 273.377 -0.864 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001484693536 917926315 /nfs/dbraw/zinc/92/63/15/917926315.db2.gz VKKIGGRLAMGWHU-STQMWFEESA-N 2 0 285.388 -0.863 20 0 CBADRP CO[C@H](C)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001484698989 917926822 /nfs/dbraw/zinc/92/68/22/917926822.db2.gz JWIYWQKXELYTHB-KGLIPLIRSA-N 2 0 299.415 -0.066 20 0 CBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCCO ZINC001484905226 917962445 /nfs/dbraw/zinc/96/24/45/917962445.db2.gz FOSPCIIFQGTQRU-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1[NH2+]CC(N)=O ZINC001484897798 917963254 /nfs/dbraw/zinc/96/32/54/917963254.db2.gz RHULZGWTHBVPLR-MNOVXSKESA-N 2 0 270.377 -0.750 20 0 CBADRP C[C@@H](O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001485015536 917980636 /nfs/dbraw/zinc/98/06/36/917980636.db2.gz ITRYIBLMJIOZBO-OLZOCXBDSA-N 2 0 299.415 -0.596 20 0 CBADRP CC(C)NC(=O)C[NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001485100434 917994634 /nfs/dbraw/zinc/99/46/34/917994634.db2.gz ALPAFYBAEKBTHY-UHFFFAOYSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001485159692 918015603 /nfs/dbraw/zinc/01/56/03/918015603.db2.gz ZBVJFBZNXWNRAN-MNOVXSKESA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001485188781 918024428 /nfs/dbraw/zinc/02/44/28/918024428.db2.gz JHTSGNHVVKMGSU-WDEREUQCSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H](C)[NH2+]CCO ZINC001485214551 918026763 /nfs/dbraw/zinc/02/67/63/918026763.db2.gz JMDOUPDFRZZBQG-GHMZBOCLSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485218074 918033846 /nfs/dbraw/zinc/03/38/46/918033846.db2.gz XVNGURWTVDRQOO-ZJUUUORDSA-N 2 0 268.361 -0.950 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001485373128 918100525 /nfs/dbraw/zinc/10/05/25/918100525.db2.gz KQWNGRUZJNUYSO-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP CCCC[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485471132 918121457 /nfs/dbraw/zinc/12/14/57/918121457.db2.gz CZGSUEWIELLTHY-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CC(N)=O)CCCCC1 ZINC001485447791 918122432 /nfs/dbraw/zinc/12/24/32/918122432.db2.gz FCMOWDYSOZCTKL-LBPRGKRZSA-N 2 0 296.415 -0.025 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001485704960 918170032 /nfs/dbraw/zinc/17/00/32/918170032.db2.gz HEOFHUIGLDLOJI-FDYHWXHSSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H](CCC[NH2+]CC(N)=O)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001485745029 918180265 /nfs/dbraw/zinc/18/02/65/918180265.db2.gz PNBOQUBXOCZMES-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H](O)C[N@H+](C)CCOCCNC(=O)[C@H]1CCC[NH+]1C ZINC001485774179 918188427 /nfs/dbraw/zinc/18/84/27/918188427.db2.gz HCNDQMNMANCUER-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP CN(C(=O)C1CC[NH+](C)CC1)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001485822043 918195675 /nfs/dbraw/zinc/19/56/75/918195675.db2.gz CXAUNOVEQMHKTG-ZDUSSCGKSA-N 2 0 296.415 -0.360 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001485854817 918206939 /nfs/dbraw/zinc/20/69/39/918206939.db2.gz HKTFSHUEFPNVIS-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001485854815 918208786 /nfs/dbraw/zinc/20/87/86/918208786.db2.gz HKTFSHUEFPNVIS-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCn1cncn1 ZINC001485856877 918214423 /nfs/dbraw/zinc/21/44/23/918214423.db2.gz VSRANQIOPIEELR-OLZOCXBDSA-N 2 0 294.403 -0.191 20 0 CBADRP C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+][C@@H](C)C(N)=O ZINC001485921031 918231941 /nfs/dbraw/zinc/23/19/41/918231941.db2.gz XUCFVHDMXLAJNE-QWRGUYRKSA-N 2 0 284.404 -0.362 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001485947074 918239821 /nfs/dbraw/zinc/23/98/21/918239821.db2.gz LRTZCDMBLQQEKR-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)OCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485983712 918276328 /nfs/dbraw/zinc/27/63/28/918276328.db2.gz VJFSLFONHKYLGU-OLZOCXBDSA-N 2 0 287.404 -0.428 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCC2)CN1C(=O)CC[NH+](C)C ZINC001486120635 918373530 /nfs/dbraw/zinc/37/35/30/918373530.db2.gz DHUYZDYHLQZLSN-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC001486240010 918389662 /nfs/dbraw/zinc/38/96/62/918389662.db2.gz HTQQLDJNGKTFIX-JTQLQIEISA-N 2 0 270.377 -0.750 20 0 CBADRP CC[NH2+]C[C@H](O)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001486308611 918420738 /nfs/dbraw/zinc/42/07/38/918420738.db2.gz PLMWYAWBBGWJMM-LBPRGKRZSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001486316375 918423748 /nfs/dbraw/zinc/42/37/48/918423748.db2.gz AFDXZRKWQWEXJS-STQMWFEESA-N 2 0 287.404 -0.617 20 0 CBADRP CNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651675 918745897 /nfs/dbraw/zinc/74/58/97/918745897.db2.gz AXHVDLBNFGQFQI-RYUDHWBXSA-N 2 0 284.404 -0.395 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001488803200 918768153 /nfs/dbraw/zinc/76/81/53/918768153.db2.gz DBBLJZPRCPTCLX-SDDRHHMPSA-N 2 0 284.404 -0.315 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001488832494 918772203 /nfs/dbraw/zinc/77/22/03/918772203.db2.gz YRDLZHDNPPVSBE-HAQNSBGRSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001488852599 918774147 /nfs/dbraw/zinc/77/41/47/918774147.db2.gz YPDXKPXLJDCXNF-SRVKXCTJSA-N 2 0 257.378 -0.197 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001488960292 918782982 /nfs/dbraw/zinc/78/29/82/918782982.db2.gz HNZFNDPEWLYZQA-RWMBFGLXSA-N 2 0 296.415 -0.312 20 0 CBADRP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCNC1=O ZINC001490214280 918871707 /nfs/dbraw/zinc/87/17/07/918871707.db2.gz QWSPSRNVZOBPSH-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[C@H](C(=O)NCCC[N@H+](C)[C@H](C)C(N)=O)[NH+](C)C ZINC001490243712 918876715 /nfs/dbraw/zinc/87/67/15/918876715.db2.gz HZEFPHQJLFJNLB-VXGBXAGGSA-N 2 0 286.420 -0.116 20 0 CBADRP CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CC(N)=O ZINC001490336158 918890736 /nfs/dbraw/zinc/89/07/36/918890736.db2.gz PFLMFBKMEKSSDW-UHFFFAOYSA-N 2 0 296.415 -0.072 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCCN1CC[NH+](CCO)CC1 ZINC001490467086 918908743 /nfs/dbraw/zinc/90/87/43/918908743.db2.gz VVLYIJLAZIKLED-CQSZACIVSA-N 2 0 298.431 -0.803 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001490840369 918975062 /nfs/dbraw/zinc/97/50/62/918975062.db2.gz WZXVLKRSDKBJOM-NEPJUHHUSA-N 2 0 269.389 -0.101 20 0 CBADRP COCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001490880235 918984512 /nfs/dbraw/zinc/98/45/12/918984512.db2.gz FGAXBMNEDMDDNG-SRVKXCTJSA-N 2 0 271.361 -0.800 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001490922821 918989651 /nfs/dbraw/zinc/98/96/51/918989651.db2.gz UDLKYSJAAQQHPS-MGCOHNPYSA-N 2 0 268.361 -0.950 20 0 CBADRP CC(C)CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001490924629 918993008 /nfs/dbraw/zinc/99/30/08/918993008.db2.gz IDECPSVNBWENIN-JOCQHMNTSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@@H]1CCCN(CC(N)=O)C1)[NH+](C)C ZINC001491110561 919040651 /nfs/dbraw/zinc/04/06/51/919040651.db2.gz IDWYTHXZDLCCCI-JSGCOSHPSA-N 2 0 298.431 -0.114 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001491456601 919171531 /nfs/dbraw/zinc/17/15/31/919171531.db2.gz IDNKMRAPKAQFTE-IJLUTSLNSA-N 2 0 284.404 -0.443 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001491502885 919186107 /nfs/dbraw/zinc/18/61/07/919186107.db2.gz CDJHTKOSOSIVEL-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@H](C)C(N)=O ZINC001491565768 919205738 /nfs/dbraw/zinc/20/57/38/919205738.db2.gz QBMSCJVUZOJGIA-NXEZZACHSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N1CCCC1 ZINC001491569418 919210721 /nfs/dbraw/zinc/21/07/21/919210721.db2.gz QLAOMBBWKIHHTC-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+]CCOCCO)C2)CC1 ZINC001491748341 919268042 /nfs/dbraw/zinc/26/80/42/919268042.db2.gz LOKGMPVFTODOQN-ZDUSSCGKSA-N 2 0 299.415 -0.472 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001491884402 919296555 /nfs/dbraw/zinc/29/65/55/919296555.db2.gz BEUQHVRYRNPFIE-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001492128458 919327794 /nfs/dbraw/zinc/32/77/94/919327794.db2.gz UNAIBTULTCKZKB-NEPJUHHUSA-N 2 0 294.403 -0.249 20 0 CBADRP CN1CCO[C@@H](C(=O)NCC[N@H+](C)C[C@H]2CCCOC2)C1 ZINC001492220159 919363375 /nfs/dbraw/zinc/36/33/75/919363375.db2.gz DNMQWMAYDZGJGN-ZIAGYGMSSA-N 2 0 299.415 -0.208 20 0 CBADRP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CCN1CCCC1=O ZINC001492854904 919439523 /nfs/dbraw/zinc/43/95/23/919439523.db2.gz YCFYZTXDGUISRT-CYBMUJFWSA-N 2 0 296.415 -0.392 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001493252664 919508588 /nfs/dbraw/zinc/50/85/88/919508588.db2.gz OJEYWPWFUHSHKO-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001493258711 919516226 /nfs/dbraw/zinc/51/62/26/919516226.db2.gz GQDOSUKJRMGTQJ-CHWSQXEVSA-N 2 0 294.399 -0.591 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001493500158 919560489 /nfs/dbraw/zinc/56/04/89/919560489.db2.gz MKEGVQSYRIGVPH-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001493501978 919566769 /nfs/dbraw/zinc/56/67/69/919566769.db2.gz ZVUXOSFMUYTXBY-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NC)CC[N@@H+]1C ZINC001493550700 919577532 /nfs/dbraw/zinc/57/75/32/919577532.db2.gz IMKUIRKVYCEISJ-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NC1CC1)[NH+](C)C ZINC001493586390 919586095 /nfs/dbraw/zinc/58/60/95/919586095.db2.gz PQLMVEBEEBUPLA-AWEZNQCLSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@@H]([NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)C(N)=O ZINC001493586356 919587371 /nfs/dbraw/zinc/58/73/71/919587371.db2.gz OUESALRCTOPYIP-NEPJUHHUSA-N 2 0 286.420 -0.116 20 0 CBADRP CN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001493725834 919611673 /nfs/dbraw/zinc/61/16/73/919611673.db2.gz NSKCITFRCUMIJB-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP C[N@H+](CCO)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001494170951 919667686 /nfs/dbraw/zinc/66/76/86/919667686.db2.gz GEXGBJNJNGXGIL-CYBMUJFWSA-N 2 0 281.400 -0.145 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](CCOCCO)C1)C12CC[NH+](CC1)C2 ZINC001494786185 919790629 /nfs/dbraw/zinc/79/06/29/919790629.db2.gz CRRABRXKHWRGJU-CYBMUJFWSA-N 2 0 297.399 -0.718 20 0 CBADRP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCO ZINC001495037783 919848783 /nfs/dbraw/zinc/84/87/83/919848783.db2.gz KRQGUPJZJDWHSS-NWDGAFQWSA-N 2 0 257.378 -0.053 20 0 CBADRP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001495095928 919860994 /nfs/dbraw/zinc/86/09/94/919860994.db2.gz ZMQRFFKBSQYADH-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@@](C[NH2+]CCO)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001495301872 919888383 /nfs/dbraw/zinc/88/83/83/919888383.db2.gz UYSNLZKOAXTFMB-AWEZNQCLSA-N 2 0 269.389 -0.051 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CCCO ZINC001495809288 919948981 /nfs/dbraw/zinc/94/89/81/919948981.db2.gz QJCMOJALDGRQPE-GFCCVEGCSA-N 2 0 257.378 -0.194 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O ZINC001496055425 920019214 /nfs/dbraw/zinc/01/92/14/920019214.db2.gz LRGQXZGJZNCQDF-VXGBXAGGSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001496083255 920021897 /nfs/dbraw/zinc/02/18/97/920021897.db2.gz WEJAENAPYPDVLE-QWRGUYRKSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001496082239 920022648 /nfs/dbraw/zinc/02/26/48/920022648.db2.gz SHIVXQQZBMPSEN-NEPJUHHUSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001496143687 920032014 /nfs/dbraw/zinc/03/20/14/920032014.db2.gz DZIBDYXICGCWHW-SRVKXCTJSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)CCC[NH+](C)C ZINC001496141744 920032078 /nfs/dbraw/zinc/03/20/78/920032078.db2.gz BSLXJEVSSMACJO-SNVBAGLBSA-N 2 0 258.366 -0.750 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001496149006 920035336 /nfs/dbraw/zinc/03/53/36/920035336.db2.gz JEOMQHMAZHWMQN-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001496149007 920035370 /nfs/dbraw/zinc/03/53/70/920035370.db2.gz JEOMQHMAZHWMQN-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC(N)=O ZINC001496599586 920093649 /nfs/dbraw/zinc/09/36/49/920093649.db2.gz RTMMPKCKYKYXRL-AVGNSLFASA-N 2 0 298.431 -0.068 20 0 CBADRP CC(C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]CC(N)=O ZINC001496643958 920101149 /nfs/dbraw/zinc/10/11/49/920101149.db2.gz WWLHSTLUXGUABQ-LLVKDONJSA-N 2 0 272.393 -0.458 20 0 CBADRP CC(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001497034222 920218781 /nfs/dbraw/zinc/21/87/81/920218781.db2.gz OXZDPMIRBSDKHY-NWDGAFQWSA-N 2 0 257.378 -0.197 20 0 CBADRP CO[C@H](C)C[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001497045500 920224588 /nfs/dbraw/zinc/22/45/88/920224588.db2.gz FAYMOBQQQNJDBS-DGCLKSJQSA-N 2 0 287.404 -0.570 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)CC[NH2+]CC(N)=O ZINC001497334512 920285569 /nfs/dbraw/zinc/28/55/69/920285569.db2.gz YEOJWXGLAWHOJN-SNVBAGLBSA-N 2 0 258.366 -0.704 20 0 CBADRP C[C@H](CC[NH2+]CC(=O)N1CCC1)NC(=O)C[NH+]1CCCC1 ZINC001497324902 920286954 /nfs/dbraw/zinc/28/69/54/920286954.db2.gz XCSHGXWLEFIKDL-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001497400266 920300926 /nfs/dbraw/zinc/30/09/26/920300926.db2.gz CMFWZTFSBAVJRD-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CCC(=O)NC/C=C\C[NH2+][C@@H]1CCCNC1=O ZINC001497676472 920365790 /nfs/dbraw/zinc/36/57/90/920365790.db2.gz YZIINZJMYOOTFS-VSQXVHSFSA-N 2 0 282.388 -0.521 20 0 CBADRP CC[C@H]([NH2+]C/C=C/CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001497729712 920375806 /nfs/dbraw/zinc/37/58/06/920375806.db2.gz HVDJULYCJVBXAJ-WWKJKZQJSA-N 2 0 296.415 -0.146 20 0 CBADRP C[C@H](C[NH2+]C[C@H](C)O)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001497818923 920403428 /nfs/dbraw/zinc/40/34/28/920403428.db2.gz YIYVOEYARCXOAF-NEPJUHHUSA-N 2 0 297.403 -0.467 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497817690 920404041 /nfs/dbraw/zinc/40/40/41/920404041.db2.gz SUCFSBRGLQEROT-YPMHNXCESA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497891626 920419425 /nfs/dbraw/zinc/41/94/25/920419425.db2.gz VZXYAWCGQBEAAR-VWYCJHECSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497983507 920433159 /nfs/dbraw/zinc/43/31/59/920433159.db2.gz FEGBLWMVEAGONM-MNOVXSKESA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@H](C[NH2+]Cc1ccn(C)n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497984129 920433204 /nfs/dbraw/zinc/43/32/04/920433204.db2.gz UZPNCNKUOHCWKE-NEPJUHHUSA-N 2 0 279.388 -0.034 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cnnn1C ZINC001497992603 920433438 /nfs/dbraw/zinc/43/34/38/920433438.db2.gz GTGUEUHRBBVDEK-LLVKDONJSA-N 2 0 282.392 -0.250 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cn1ccnc1C ZINC001497987913 920434040 /nfs/dbraw/zinc/43/40/40/920434040.db2.gz SFNPQYZUNJUKRQ-NXEZZACHSA-N 2 0 281.360 -0.580 20 0 CBADRP C[C@H](C[NH2+]Cc1cncn1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497983378 920435199 /nfs/dbraw/zinc/43/51/99/920435199.db2.gz CUVQFPXRPVKSJO-VXGBXAGGSA-N 2 0 279.388 -0.034 20 0 CBADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001498041996 920459166 /nfs/dbraw/zinc/45/91/66/920459166.db2.gz JHSOMWHVAMGAEP-WDEREUQCSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001498059251 920462914 /nfs/dbraw/zinc/46/29/14/920462914.db2.gz AZPILDHLBFCGRC-WCQYABFASA-N 2 0 294.403 -0.106 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001498061141 920466117 /nfs/dbraw/zinc/46/61/17/920466117.db2.gz SKSVYGFALMYFNZ-GARJFASQSA-N 2 0 298.387 -0.774 20 0 CBADRP C[C@@H](C[NH2+]CCCO)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001498118558 920487616 /nfs/dbraw/zinc/48/76/16/920487616.db2.gz RQALELAYGVCUDB-NEPJUHHUSA-N 2 0 257.378 -0.195 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001498146125 920500817 /nfs/dbraw/zinc/50/08/17/920500817.db2.gz LBPBPUYOSUTVJF-LBPRGKRZSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CCn1cncn1)[NH+](C)C ZINC001498161953 920506279 /nfs/dbraw/zinc/50/62/79/920506279.db2.gz YOFWWMXCEXODDG-RYUDHWBXSA-N 2 0 282.392 -0.287 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001498161124 920506731 /nfs/dbraw/zinc/50/67/31/920506731.db2.gz RYRICKGOYRSYJX-QWRGUYRKSA-N 2 0 280.372 -0.935 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001498197541 920513916 /nfs/dbraw/zinc/51/39/16/920513916.db2.gz PAIKYRZBJZYISA-RYUDHWBXSA-N 2 0 286.420 -0.102 20 0 CBADRP C[C@H](C[N@H+](C)CCn1cncn1)NC(=O)Cc1ncc[nH]1 ZINC001498416972 920576709 /nfs/dbraw/zinc/57/67/09/920576709.db2.gz ZNQZKSAGRUWEAO-LLVKDONJSA-N 2 0 291.359 -0.320 20 0 CBADRP CNC(=O)CN(C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001498416325 920580309 /nfs/dbraw/zinc/58/03/09/920580309.db2.gz SGVRLHIYVQSGRC-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H]([NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001498561239 920609939 /nfs/dbraw/zinc/60/99/39/920609939.db2.gz XWMPAGOWOMUJDP-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001498549799 920610285 /nfs/dbraw/zinc/61/02/85/920610285.db2.gz JSOPGEJOLPVFFO-IJLUTSLNSA-N 2 0 284.404 -0.362 20 0 CBADRP CN(CCC[NH2+]CCn1cncn1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001498592996 920616720 /nfs/dbraw/zinc/61/67/20/920616720.db2.gz XIWZWAZFWIROPB-CYBMUJFWSA-N 2 0 294.403 -0.190 20 0 CBADRP CN(CCC[NH2+]CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001498641550 920623761 /nfs/dbraw/zinc/62/37/61/920623761.db2.gz HDUHOHOAYJPOSG-UHFFFAOYSA-N 2 0 255.362 -0.487 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001498771273 920638699 /nfs/dbraw/zinc/63/86/99/920638699.db2.gz VCQXBTJBORXBQX-GFCCVEGCSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+][C@@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC001499230590 920723692 /nfs/dbraw/zinc/72/36/92/920723692.db2.gz ABVWNKXXXHDHMH-IJLUTSLNSA-N 2 0 294.399 -0.547 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001499448842 920749321 /nfs/dbraw/zinc/74/93/21/920749321.db2.gz UWCMGKONGFCCHR-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1([NH2+][C@H](C)C(=O)NC)CC1 ZINC001499426812 920749731 /nfs/dbraw/zinc/74/97/31/920749731.db2.gz RSFWHBNVGKXBCG-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001499461074 920753529 /nfs/dbraw/zinc/75/35/29/920753529.db2.gz CSZYRZRGJODFNE-RYUDHWBXSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCC[NH+](C)C ZINC001499844984 920773285 /nfs/dbraw/zinc/77/32/85/920773285.db2.gz SXAOVAKRBWUUNO-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001499843154 920774336 /nfs/dbraw/zinc/77/43/36/920774336.db2.gz FQEMMTJDTIKAAC-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001499922757 920786839 /nfs/dbraw/zinc/78/68/39/920786839.db2.gz JECYYBSZXXZROX-AAEUAGOBSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+]1CCC(OCC(=O)N[C@]2(C)CC[N@H+](CCO)C2)CC1 ZINC001500272292 920820608 /nfs/dbraw/zinc/82/06/08/920820608.db2.gz MKNIYDWSPLPKRH-OAHLLOKOSA-N 2 0 299.415 -0.330 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001500401745 920830806 /nfs/dbraw/zinc/83/08/06/920830806.db2.gz JMXQYSFGKZYHRK-RISCZKNCSA-N 2 0 282.388 -0.748 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CCO)C1 ZINC001500376988 920831573 /nfs/dbraw/zinc/83/15/73/920831573.db2.gz XWAGEXUHXSIRMJ-CYBMUJFWSA-N 2 0 257.378 -0.241 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCO)CCOCC2)C1 ZINC001500600219 920839041 /nfs/dbraw/zinc/83/90/41/920839041.db2.gz CMORQXBBEODGQG-GFCCVEGCSA-N 2 0 285.388 -0.815 20 0 CBADRP CC[N@@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500718274 920867314 /nfs/dbraw/zinc/86/73/14/920867314.db2.gz QGRYZNNNKCOCCA-CQSZACIVSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001500762828 920880691 /nfs/dbraw/zinc/88/06/91/920880691.db2.gz PVOFMOQZDBHNLY-TZMCWYRMSA-N 2 0 285.388 -0.984 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001501051089 920938933 /nfs/dbraw/zinc/93/89/33/920938933.db2.gz RHAZTOSBRLUQJQ-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)CC1 ZINC001501228381 920956051 /nfs/dbraw/zinc/95/60/51/920956051.db2.gz ROBRGTRRVFKSTA-BETUJISGSA-N 2 0 281.400 -0.289 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](CC[NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001501568591 921040892 /nfs/dbraw/zinc/04/08/92/921040892.db2.gz NAYBCDFXUVBXIU-FRRDWIJNSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)C(N)=O ZINC001507442933 921824799 /nfs/dbraw/zinc/82/47/99/921824799.db2.gz KXAIXGHEKMSDJA-GHMZBOCLSA-N 2 0 284.404 -0.362 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001507453738 921828829 /nfs/dbraw/zinc/82/88/29/921828829.db2.gz MXSBNULMWGBQMW-LBPRGKRZSA-N 2 0 298.431 -0.101 20 0 CBADRP CO[C@@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001507540628 921864624 /nfs/dbraw/zinc/86/46/24/921864624.db2.gz FWRDGKQZVOGPQI-STQMWFEESA-N 2 0 299.415 -0.474 20 0 CBADRP CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507562167 921866579 /nfs/dbraw/zinc/86/65/79/921866579.db2.gz JQXDZXFBPNXSBW-NEPJUHHUSA-N 2 0 257.378 -0.243 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001507725932 921892549 /nfs/dbraw/zinc/89/25/49/921892549.db2.gz IUWUTMNLOSURQM-LBPRGKRZSA-N 2 0 257.378 -0.147 20 0 CBADRP C[C@@H]([NH2+]C1CC(N(C)C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001508134850 921915522 /nfs/dbraw/zinc/91/55/22/921915522.db2.gz NNYMIOQUVRBWJT-VOMCLLRMSA-N 2 0 284.404 -0.219 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CCC[C@@]23CC[NH2+]C3)=NO1 ZINC001514547563 922200937 /nfs/dbraw/zinc/20/09/37/922200937.db2.gz GLZUDULJUVBOAB-SKDRFNHKSA-N 2 0 252.318 -0.556 20 0 CBADRP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C[C@@H]1COCC[NH2+]1 ZINC001514531115 922202917 /nfs/dbraw/zinc/20/29/17/922202917.db2.gz OSHYWWZITXNKPP-DMDPSCGWSA-N 2 0 253.346 -0.295 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001514595779 922204606 /nfs/dbraw/zinc/20/46/06/922204606.db2.gz MNWAQSHJBIHBLF-RYUDHWBXSA-N 2 0 255.362 -0.083 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)[C@H](CO)C1 ZINC001515357591 922232846 /nfs/dbraw/zinc/23/28/46/922232846.db2.gz HAGPPAAVYRERFX-GARJFASQSA-N 2 0 255.362 -0.505 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001515670702 922242567 /nfs/dbraw/zinc/24/25/67/922242567.db2.gz VBEXFSTWPDQMFJ-SRVKXCTJSA-N 2 0 257.378 -0.291 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C)[NH+](C)C ZINC001520328815 922304477 /nfs/dbraw/zinc/30/44/77/922304477.db2.gz KSPCGETVXBFBMQ-AGIUHOORSA-N 2 0 268.405 -0.169 20 0 CBADRP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001520421401 922306629 /nfs/dbraw/zinc/30/66/29/922306629.db2.gz BAWSYUDUKARHFX-WCQYABFASA-N 2 0 255.362 -0.394 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001521454205 922357468 /nfs/dbraw/zinc/35/74/68/922357468.db2.gz FYFUGWUNAVLGGO-LOWVWBTDSA-N 2 0 257.378 -0.054 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001521445275 922357829 /nfs/dbraw/zinc/35/78/29/922357829.db2.gz GLNMQYUOHQIIFR-RVMXOQNASA-N 2 0 269.389 -0.054 20 0 CBADRP O=C(NCC1C[NH2+]C1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001521508414 922362019 /nfs/dbraw/zinc/36/20/19/922362019.db2.gz VCYJIBQAUYQHDW-GFCCVEGCSA-N 2 0 252.318 -0.780 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001521495736 922363046 /nfs/dbraw/zinc/36/30/46/922363046.db2.gz JEWVWWSKBDJMAS-UHFFFAOYSA-N 2 0 298.431 -0.362 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001521508751 922363990 /nfs/dbraw/zinc/36/39/90/922363990.db2.gz ZGKPZXRBNWSBNQ-NWDGAFQWSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC[C@@H]([NH3+])C1 ZINC001521526671 922367114 /nfs/dbraw/zinc/36/71/14/922367114.db2.gz FTVKEDYBMCTYML-UTUOFQBUSA-N 2 0 252.362 -0.676 20 0 CBADRP C[C@@H]1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC001521697149 922374701 /nfs/dbraw/zinc/37/47/01/922374701.db2.gz HMNXIDVHXLGQAM-MBNYWOFBSA-N 2 0 269.389 -0.066 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC1([NH+](C)C)CC1 ZINC001521666485 922374737 /nfs/dbraw/zinc/37/47/37/922374737.db2.gz LNTAYWRLASASPP-NEPJUHHUSA-N 2 0 266.389 -0.415 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001521740980 922376853 /nfs/dbraw/zinc/37/68/53/922376853.db2.gz RPQHWDYWYKQMBR-VXGBXAGGSA-N 2 0 266.389 -0.319 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001521741286 922378858 /nfs/dbraw/zinc/37/88/58/922378858.db2.gz XCBVGAKEHWKJLM-WOPDTQHZSA-N 2 0 269.389 -0.006 20 0 CBADRP C[C@H]([NH3+])CONC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001521806887 922380433 /nfs/dbraw/zinc/38/04/33/922380433.db2.gz MMADZRRKWAOSPI-DTWKUNHWSA-N 2 0 268.321 -0.789 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001521858433 922388318 /nfs/dbraw/zinc/38/83/18/922388318.db2.gz LTWYIZWYMKCMCK-BYNQJWBRSA-N 2 0 267.373 -0.001 20 0 CBADRP C[C@@H](CCNC(=O)C[C@@]1(O)CCC[NH2+]C1)[NH+](C)C ZINC001521939720 922391682 /nfs/dbraw/zinc/39/16/82/922391682.db2.gz PHXUTJSCKIHBSR-AAEUAGOBSA-N 2 0 257.378 -0.053 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@H]1CCCCC[NH2+]1 ZINC001521974156 922394882 /nfs/dbraw/zinc/39/48/82/922394882.db2.gz NDYFUKFBRUBGQT-WDEREUQCSA-N 2 0 253.346 -0.234 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC001522247048 922402863 /nfs/dbraw/zinc/40/28/63/922402863.db2.gz BRMVTQSBEIUALO-ZDUSSCGKSA-N 2 0 263.341 -0.058 20 0 CBADRP O=C([C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CCC[C@H]([NH2+]CCO)C1 ZINC001522231666 922403017 /nfs/dbraw/zinc/40/30/17/922403017.db2.gz NDTBCKXAKMYOJG-QNWHQSFQSA-N 2 0 267.373 -0.585 20 0 CBADRP O=C([C@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001522231657 922403984 /nfs/dbraw/zinc/40/39/84/922403984.db2.gz NDTBCKXAKMYOJG-NDBYEHHHSA-N 2 0 267.373 -0.585 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCOCC1 ZINC001522326296 922408037 /nfs/dbraw/zinc/40/80/37/922408037.db2.gz JTNQEXQLINSEPG-GMTAPVOTSA-N 2 0 255.362 -0.016 20 0 CBADRP CCC1([NH3+])CCN(C(=O)[C@@H](C)[C@H](O)C[NH2+]C)CC1 ZINC001522444810 922416734 /nfs/dbraw/zinc/41/67/34/922416734.db2.gz HYMULAWRFAGJHA-WDEREUQCSA-N 2 0 257.378 -0.067 20 0 CBADRP C[NH+](C)CC1(C(=O)NCCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001522655598 922497940 /nfs/dbraw/zinc/49/79/40/922497940.db2.gz ZGQMGXGLWJQWGW-GFCCVEGCSA-N 2 0 296.415 -0.488 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCN1C ZINC001522668023 922500898 /nfs/dbraw/zinc/50/08/98/922500898.db2.gz QVHSDFPRVYBSGQ-NWDGAFQWSA-N 2 0 254.378 -0.510 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCCNC(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001522675110 922501189 /nfs/dbraw/zinc/50/11/89/922501189.db2.gz SGSWVNMYBBOQLH-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001522696614 922503886 /nfs/dbraw/zinc/50/38/86/922503886.db2.gz DOEVVMPCXAQINQ-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H](C(=O)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001522765414 922516243 /nfs/dbraw/zinc/51/62/43/922516243.db2.gz TWMCCMGJXKFTQJ-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H](C(=O)NCCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001522765412 922516762 /nfs/dbraw/zinc/51/67/62/922516762.db2.gz TWMCCMGJXKFTQJ-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP O=C(c1cccc2c1C[NH2+]C2)N1CCNCC[NH2+]CC1 ZINC001522998296 922556721 /nfs/dbraw/zinc/55/67/21/922556721.db2.gz ITFCXMZCEPCIGH-UHFFFAOYSA-N 2 0 274.368 -0.075 20 0 CBADRP [NH3+]CC1(C(=O)N2CCC[C@@]([NH3+])(CO)C2)CCCC1 ZINC001523017918 922562802 /nfs/dbraw/zinc/56/28/02/922562802.db2.gz AGILYBOLHFWKGD-ZDUSSCGKSA-N 2 0 255.362 -0.182 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C[C@@H](O)C[NH2+]1 ZINC001523228234 922577199 /nfs/dbraw/zinc/57/71/99/922577199.db2.gz DHXCFRUUSFQBMO-MRVWCRGKSA-N 2 0 267.373 -0.156 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001523457206 922592720 /nfs/dbraw/zinc/59/27/20/922592720.db2.gz RKWLCGNXVZFPKL-ZDUSSCGKSA-N 2 0 257.378 -0.099 20 0 CBADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[C@@]1(O)CCC[NH2+]C1)C2 ZINC001523550761 922596389 /nfs/dbraw/zinc/59/63/89/922596389.db2.gz NZVUEQVAYORZMW-MNXVOIDGSA-N 2 0 267.373 -0.171 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC[N@H+](C)CC1 ZINC001523482660 922598422 /nfs/dbraw/zinc/59/84/22/922598422.db2.gz UQBWLSSMJCSIGZ-ZFWWWQNUSA-N 2 0 280.416 -0.308 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CCC[C@@]23CC[NH2+]C3)nn1 ZINC001523571674 922600121 /nfs/dbraw/zinc/60/01/21/922600121.db2.gz KEBBPJSVQBTKEK-LBPRGKRZSA-N 2 0 264.333 -0.795 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001523570902 922600369 /nfs/dbraw/zinc/60/03/69/922600369.db2.gz CYNTZDHLMBPPTA-ZWNOBZJWSA-N 2 0 269.345 -0.379 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001523622548 922602706 /nfs/dbraw/zinc/60/27/06/922602706.db2.gz AQSZHONHJXWHID-GVXVVHGQSA-N 2 0 255.362 -0.003 20 0 CBADRP C[C@H](NC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21)[C@@H]1C[N@H+](C)CCN1C ZINC001524029768 922615924 /nfs/dbraw/zinc/61/59/24/922615924.db2.gz SJNIMEAECGBJBG-PJSNJIKXSA-N 2 0 266.389 -0.655 20 0 CBADRP [NH3+]C1(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC001524008471 922616108 /nfs/dbraw/zinc/61/61/08/922616108.db2.gz HFDMRLSRMRJIEF-WDEREUQCSA-N 2 0 253.346 -0.465 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001524111875 922621344 /nfs/dbraw/zinc/62/13/44/922621344.db2.gz AGHJYRCPJNPRGR-DGCLKSJQSA-N 2 0 255.362 -0.443 20 0 CBADRP CN(C(=O)c1[nH]nc2c1C[NH2+]CC2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001524119231 922621605 /nfs/dbraw/zinc/62/16/05/922621605.db2.gz CSHBUGIPLDIQCW-JDICNCQASA-N 2 0 261.329 -0.655 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)C1=O ZINC001524286943 922629310 /nfs/dbraw/zinc/62/93/10/922629310.db2.gz IJQMOBHSEHFGOS-ZOWXZIJZSA-N 2 0 294.399 -0.416 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@@H]1CC[NH+](C)C1 ZINC001527473538 922754340 /nfs/dbraw/zinc/75/43/40/922754340.db2.gz GLMLGSQHINFAME-AGIUHOORSA-N 2 0 266.389 -0.557 20 0 CBADRP CN(CCNC(=O)C[NH+]1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001528176890 922811601 /nfs/dbraw/zinc/81/16/01/922811601.db2.gz ZUZKDJUCAIVZEL-CYBMUJFWSA-N 2 0 296.415 -0.392 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC2CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001530649073 922956119 /nfs/dbraw/zinc/95/61/19/922956119.db2.gz QUPUJUZHDCTNHD-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)CCC(=O)NC/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001533585817 923110612 /nfs/dbraw/zinc/11/06/12/923110612.db2.gz KBIKUPMLNQZZJV-DSYXLKISSA-N 2 0 296.415 -0.179 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCNC[C@@H]1C(F)F ZINC001548557600 923379444 /nfs/dbraw/zinc/37/94/44/923379444.db2.gz XNHBRWAFLXZRFY-SKDRFNHKSA-N 2 0 277.315 -0.444 20 0 CBADRP O=C(C1=NO[C@]2(C1)CCC[NH2+]C2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001548556647 923379542 /nfs/dbraw/zinc/37/95/42/923379542.db2.gz BNZAJICMXKNAKR-WDMOLILDSA-N 2 0 278.356 -0.437 20 0 CBADRP O=C(N1CC[C@@]2(CC[NH2+]C2)C1)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548555550 923379849 /nfs/dbraw/zinc/37/98/49/923379849.db2.gz QQZQEACQTZBRMD-BNOWGMLFSA-N 2 0 265.357 -0.423 20 0 CBADRP CC1(CNC(=O)[C@]23C[NH2+]C[C@H]2CCO3)CC[NH2+]CC1 ZINC001548555058 923380293 /nfs/dbraw/zinc/38/02/93/923380293.db2.gz IOPBSVDEDXBGMV-RISCZKNCSA-N 2 0 267.373 -0.129 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC001548558083 923383570 /nfs/dbraw/zinc/38/35/70/923383570.db2.gz MQGAYOOEOUCNEP-ZNMIVQPWSA-N 2 0 288.395 -0.157 20 0 CBADRP COCC1(CNC(=O)[C@@H]2C[NH2+]CCN2C)CC[NH2+]CC1 ZINC001548558227 923384177 /nfs/dbraw/zinc/38/41/77/923384177.db2.gz NVKMOMBZEKFIKV-LBPRGKRZSA-N 2 0 284.404 -0.978 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC001548561238 923387684 /nfs/dbraw/zinc/38/76/84/923387684.db2.gz JLCFOSITKXTFTE-MGPQQGTHSA-N 2 0 280.416 -0.119 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CCCC[NH2+]1 ZINC001548569546 923390347 /nfs/dbraw/zinc/39/03/47/923390347.db2.gz PHQPOVQHNLBXMX-RISCZKNCSA-N 2 0 283.372 -0.608 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC001548565742 923392015 /nfs/dbraw/zinc/39/20/15/923392015.db2.gz QGNYUIZZPPUHPT-WCQYABFASA-N 2 0 263.341 -0.219 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC001548570206 923393513 /nfs/dbraw/zinc/39/35/13/923393513.db2.gz UNCPAQQZGKVPRI-UONOGXRCSA-N 2 0 287.363 -0.052 20 0 CBADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001548573232 923396512 /nfs/dbraw/zinc/39/65/12/923396512.db2.gz IQIWZAINBLUXRX-OLZOCXBDSA-N 2 0 263.341 -0.189 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC001548575897 923399120 /nfs/dbraw/zinc/39/91/20/923399120.db2.gz JZWQDGHDCSWQSU-LBPRGKRZSA-N 2 0 262.313 -0.013 20 0 CBADRP CC1(C)CN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC2(C[NH2+]C2)O1 ZINC001548575836 923400111 /nfs/dbraw/zinc/40/01/11/923400111.db2.gz JKMZXEIOZYBREV-QWRGUYRKSA-N 2 0 283.372 -0.670 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548575361 923400360 /nfs/dbraw/zinc/40/03/60/923400360.db2.gz AMUMJCAUEYFZFM-JTQLQIEISA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C[C@@]1(O)CCC[NH2+]C1)C2 ZINC001548575101 923400958 /nfs/dbraw/zinc/40/09/58/923400958.db2.gz WLYPUGKLNQZBFL-ZNMIVQPWSA-N 2 0 281.400 -0.051 20 0 CBADRP CC1(C)CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC2(C[NH2+]C2)O1 ZINC001548576241 923401343 /nfs/dbraw/zinc/40/13/43/923401343.db2.gz NOMZGBBZRDIGJD-NHYWBVRUSA-N 2 0 295.383 -0.798 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548576521 923403341 /nfs/dbraw/zinc/40/33/41/923403341.db2.gz QWSXVGFJXGNLMN-NSHDSACASA-N 2 0 285.388 -0.282 20 0 CBADRP COC[C@]1(C(=O)N2CCC(OC3C[NH2+]C3)CC2)CC[NH2+]C1 ZINC001548588412 923406418 /nfs/dbraw/zinc/40/64/18/923406418.db2.gz VVCRWQWACGHPJM-HNNXBMFYSA-N 2 0 297.399 -0.408 20 0 CBADRP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCC(OC2C[NH2+]C2)CC1 ZINC001548589473 923407602 /nfs/dbraw/zinc/40/76/02/923407602.db2.gz DIWZYGHRGAXZMS-UKRRQHHQSA-N 2 0 279.384 -0.035 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC001548643102 923420623 /nfs/dbraw/zinc/42/06/23/923420623.db2.gz AJYJOODQNXZRFI-BPLDGKMQSA-N 2 0 292.427 -0.025 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC001548640572 923422741 /nfs/dbraw/zinc/42/27/41/923422741.db2.gz WXIHGWSBIYRIIX-HZSPNIEDSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C)[NH+](C)C1CC1 ZINC001548640220 923422814 /nfs/dbraw/zinc/42/28/14/923422814.db2.gz PITXVFDAXWFECC-BZPMIXESSA-N 2 0 280.416 -0.026 20 0 CBADRP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001548653226 923433297 /nfs/dbraw/zinc/43/32/97/923433297.db2.gz BWIHLKJXONHWLV-SYQHCUMBSA-N 2 0 280.416 -0.026 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC001548699348 923457132 /nfs/dbraw/zinc/45/71/32/923457132.db2.gz CCUOJHAZYRHCSV-QWHCGFSZSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC001548694725 923460442 /nfs/dbraw/zinc/46/04/42/923460442.db2.gz YZBZNQXJMHYGLS-QWHCGFSZSA-N 2 0 278.400 -0.461 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1CCn2cncc2C1 ZINC001548723971 923473785 /nfs/dbraw/zinc/47/37/85/923473785.db2.gz FLPZZPFMSOMQSJ-BZPMIXESSA-N 2 0 289.383 -0.298 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCN(CCCF)CC1 ZINC001548723913 923474127 /nfs/dbraw/zinc/47/41/27/923474127.db2.gz BHGFTLWDDNTWQS-KGLIPLIRSA-N 2 0 298.406 -0.122 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC001548728064 923479498 /nfs/dbraw/zinc/47/94/98/923479498.db2.gz RTQIAHJEVYOFLZ-INWMFGNUSA-N 2 0 292.427 -0.025 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)C[NH+](C)C)C[C@H]2[NH3+])cn1 ZINC001548946732 923514238 /nfs/dbraw/zinc/51/42/38/923514238.db2.gz GTSJOOSCWQKLJE-GHMZBOCLSA-N 2 0 251.334 -0.765 20 0 CBADRP O=C(c1cn([C@H]2CC[NH2+]C2)nn1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC001548939928 923515392 /nfs/dbraw/zinc/51/53/92/923515392.db2.gz YIWWIMLUHBKPQS-FZMZJTMJSA-N 2 0 290.371 -0.219 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC001548939925 923516573 /nfs/dbraw/zinc/51/65/73/923516573.db2.gz YIWWIMLUHBKPQS-BXUZGUMPSA-N 2 0 290.371 -0.219 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001548951089 923517372 /nfs/dbraw/zinc/51/73/72/923517372.db2.gz MSAFTPVEYGHNQN-GWNIPJSYSA-N 2 0 277.372 -0.471 20 0 CBADRP [NH3+][C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001548991907 923522335 /nfs/dbraw/zinc/52/23/35/923522335.db2.gz SSEUGMPRAFKSQF-TUAOUCFPSA-N 2 0 270.377 -0.066 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@H]1c1ccc(F)cc1 ZINC001549042824 923524873 /nfs/dbraw/zinc/52/48/73/923524873.db2.gz DFJQLNKLPKJNHH-RQJABVFESA-N 2 0 293.342 -0.198 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3[NH3+])C2)nn1 ZINC001549031968 923524910 /nfs/dbraw/zinc/52/49/10/923524910.db2.gz DXXVRCNENBEMJX-VWYCJHECSA-N 2 0 264.333 -0.753 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1C[C@H]([NH3+])[C@H](c2ccccc2F)C1 ZINC001549033105 923526569 /nfs/dbraw/zinc/52/65/69/923526569.db2.gz IMQQFCZXGBCNBD-JQWIXIFHSA-N 2 0 294.330 -0.846 20 0 CBADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC001549044281 923531201 /nfs/dbraw/zinc/53/12/01/923531201.db2.gz LROBAQDEHGQHBX-XBFCOCLRSA-N 2 0 275.352 -0.288 20 0 CBADRP [NH3+]CCc1nc(C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)cs1 ZINC001549045149 923533365 /nfs/dbraw/zinc/53/33/65/923533365.db2.gz YSFFKVDLJPNTNR-GXSJLCMTSA-N 2 0 296.396 -0.153 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549044826 923534483 /nfs/dbraw/zinc/53/44/83/923534483.db2.gz KMCIJQGWCPPWAJ-SRVKXCTJSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+][C@H](CC(F)F)C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549044794 923535865 /nfs/dbraw/zinc/53/58/65/923535865.db2.gz GYOAACNHUFRSRH-IWSPIJDZSA-N 2 0 263.288 -0.442 20 0 CBADRP O=C(CC1CC[NH2+]CC1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549045184 923537998 /nfs/dbraw/zinc/53/79/98/923537998.db2.gz JIBXWIVTUDEWPB-OLZOCXBDSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001549046348 923538467 /nfs/dbraw/zinc/53/84/67/923538467.db2.gz PQQCXXWECVAWMN-VOAKCMCISA-N 2 0 267.373 -0.443 20 0 CBADRP O=C(C1CC[NH2+]CC1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549045191 923540611 /nfs/dbraw/zinc/54/06/11/923540611.db2.gz KBPULRMFOVLBIA-NEPJUHHUSA-N 2 0 253.346 -0.425 20 0 CBADRP Nc1cc[nH+]cc1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549046291 923540743 /nfs/dbraw/zinc/54/07/43/923540743.db2.gz SFIJSJDYVVAQSE-NSHDSACASA-N 2 0 275.356 -0.386 20 0 CBADRP [NH3+]Cc1ccc(C(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)o1 ZINC001549045211 923540848 /nfs/dbraw/zinc/54/08/48/923540848.db2.gz MFDCORWWSOGEOV-GHMZBOCLSA-N 2 0 265.313 -0.059 20 0 CBADRP O=C([C@@H]1C[C@@H]2C[C@@H]2[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549046263 923541077 /nfs/dbraw/zinc/54/10/77/923541077.db2.gz RAWHCOVBTJVDRW-CYDGBPFRSA-N 2 0 264.373 -0.757 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3CCC[NH2+]3)C2)nn1 ZINC001549047305 923542365 /nfs/dbraw/zinc/54/23/65/923542365.db2.gz ODOCOQWFEKSDGD-NWDGAFQWSA-N 2 0 278.360 -0.348 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001549047289 923542459 /nfs/dbraw/zinc/54/24/59/923542459.db2.gz NJZPQCIWOXJCIT-RWMBFGLXSA-N 2 0 285.388 -0.295 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001549046893 923543220 /nfs/dbraw/zinc/54/32/20/923543220.db2.gz BUZKIEMSSGTBCK-RYUDHWBXSA-N 2 0 280.376 -0.116 20 0 CBADRP COC1(C(=O)N2CCCO[C@H](C[NH3+])C2)CC[NH2+]CC1 ZINC001549046842 923544593 /nfs/dbraw/zinc/54/45/93/923544593.db2.gz BFDCQHKLWYOXKL-LLVKDONJSA-N 2 0 271.361 -0.669 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3CCC[NH2+]C3)C2)nn1 ZINC001549047678 923546188 /nfs/dbraw/zinc/54/61/88/923546188.db2.gz WIDZCVZHNYMIKM-WCQYABFASA-N 2 0 292.387 -0.100 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C[C@H]3C[NH2+]CCO3)C[C@@H]2[NH3+])cn1 ZINC001549049068 923547184 /nfs/dbraw/zinc/54/71/84/923547184.db2.gz CEFUBGQKEWZBQF-AVGNSLFASA-N 2 0 293.371 -0.948 20 0 CBADRP C[C@@]1(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC[NH2+]C1 ZINC001549047683 923547680 /nfs/dbraw/zinc/54/76/80/923547680.db2.gz WKRSZCMKHSVKTC-GXTWGEPZSA-N 2 0 292.387 -0.100 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CCCO1 ZINC001549048300 923548258 /nfs/dbraw/zinc/54/82/58/923548258.db2.gz CFEUNOKWGMXQTN-MNOVXSKESA-N 2 0 293.371 -0.324 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549050468 923549749 /nfs/dbraw/zinc/54/97/49/923549749.db2.gz NEGCYYCIJDUEAA-MVWJERBFSA-N 2 0 265.361 -0.199 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])C2CCOCC2)CCCO1 ZINC001549050604 923550163 /nfs/dbraw/zinc/55/01/63/923550163.db2.gz OUNJXNMLQFVMLL-NWDGAFQWSA-N 2 0 271.361 -0.684 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@@]34CC[NH2+]C4)C[C@@H]2[NH3+])cn1 ZINC001549052174 923550382 /nfs/dbraw/zinc/55/03/82/923550382.db2.gz WDQAYEKPSMSHGG-PWNZVWSESA-N 2 0 289.383 -0.327 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001549050464 923551222 /nfs/dbraw/zinc/55/12/22/923551222.db2.gz NEGCYYCIJDUEAA-DLOVCJGASA-N 2 0 265.361 -0.199 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1C[NH2+]C[C@@H]1C(F)(F)F ZINC001549125774 923559391 /nfs/dbraw/zinc/55/93/91/923559391.db2.gz RLAWSWVVMLXZGN-GUBZILKMSA-N 2 0 295.305 -0.121 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)C[C@@H]1C[NH2+]CCO1)C2 ZINC001549128588 923559949 /nfs/dbraw/zinc/55/99/49/923559949.db2.gz FHDYMRQXSQGPRP-BZPMIXESSA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)[C@@H]1C[NH2+]CCO1)C2 ZINC001549128492 923560186 /nfs/dbraw/zinc/56/01/86/923560186.db2.gz MOEONZOYUQOHNL-MDZLAQPJSA-N 2 0 253.346 -0.438 20 0 CBADRP O=C([C@@H]1CCC[NH2+]CC1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549122153 923560212 /nfs/dbraw/zinc/56/02/12/923560212.db2.gz PENNJIXWFJJJMW-UPJWGTAASA-N 2 0 267.373 -0.035 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC001549132505 923560300 /nfs/dbraw/zinc/56/03/00/923560300.db2.gz FGRAZTSWWJYUTI-RVMXOQNASA-N 2 0 285.388 -0.153 20 0 CBADRP O=C([C@@H]1CCC[NH2+]CC1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549122148 923560455 /nfs/dbraw/zinc/56/04/55/923560455.db2.gz PENNJIXWFJJJMW-AGIUHOORSA-N 2 0 267.373 -0.035 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549130265 923560752 /nfs/dbraw/zinc/56/07/52/923560752.db2.gz YKBDYVHPUYLLMT-OSAQELSMSA-N 2 0 296.415 -0.327 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)C2 ZINC001549128730 923561275 /nfs/dbraw/zinc/56/12/75/923561275.db2.gz NRKSROUITWNCLU-UZWSLXQKSA-N 2 0 253.346 -0.703 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC001549132511 923562892 /nfs/dbraw/zinc/56/28/92/923562892.db2.gz FGRAZTSWWJYUTI-XQHKEYJVSA-N 2 0 285.388 -0.153 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549171978 923566503 /nfs/dbraw/zinc/56/65/03/923566503.db2.gz KEWLYHVJTFJDPO-AVGNSLFASA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]C1CC2(C1)CC(C(=O)NC[C@@H]1C[NH2+]CCCO1)C2 ZINC001549172514 923566757 /nfs/dbraw/zinc/56/67/57/923566757.db2.gz YWIZOSPJJIYJOM-VPTICVGPSA-N 2 0 267.373 -0.001 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549171593 923567252 /nfs/dbraw/zinc/56/72/52/923567252.db2.gz APBZNDZMJSXLJS-ZIAGYGMSSA-N 2 0 280.416 -0.118 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)C[C@@H]2CCC[NH2+]C2)CCCO1 ZINC001549170865 923568419 /nfs/dbraw/zinc/56/84/19/923568419.db2.gz VUFKVJFRCMBOOW-RYUDHWBXSA-N 2 0 255.362 -0.048 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)N1CC[C@@H]2C[NH2+]C[C@H]21 ZINC001549213049 923570831 /nfs/dbraw/zinc/57/08/31/923570831.db2.gz XHIOGVKQNKMOTE-QRVCZOOMSA-N 2 0 250.346 -0.258 20 0 CBADRP CCO[C@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)C[C@H]1C[NH3+] ZINC001549212573 923571286 /nfs/dbraw/zinc/57/12/86/923571286.db2.gz LWOBXITXWJCGCT-BEVNXUHPSA-N 2 0 282.388 -0.256 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](C(=O)N2CC[C@]3(CCC[NH2+]3)C2)O1 ZINC001549288245 923576523 /nfs/dbraw/zinc/57/65/23/923576523.db2.gz NYLBWKJSDVLHKO-NTZNESFSSA-N 2 0 253.346 -0.282 20 0 CBADRP O=C([C@H]1CCCC[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549286024 923577369 /nfs/dbraw/zinc/57/73/69/923577369.db2.gz OFWUHEZIEONEOB-KBPBESRZSA-N 2 0 280.416 -0.118 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N2C[C@@H]3CCC[C@@]3(C[NH3+])C2)O1 ZINC001549287038 923577741 /nfs/dbraw/zinc/57/77/41/923577741.db2.gz HCKXAVSVQVYGEE-GFQSEFKGSA-N 2 0 267.373 -0.049 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549291732 923580134 /nfs/dbraw/zinc/58/01/34/923580134.db2.gz FKJCTKXMROXBMD-UTUOFQBUSA-N 2 0 265.361 -0.329 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC001549292225 923580435 /nfs/dbraw/zinc/58/04/35/923580435.db2.gz RGXQKOVSUVYENV-IHRRRGAJSA-N 2 0 281.400 -0.053 20 0 CBADRP CC(C)[NH2+]CC(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001549292163 923581178 /nfs/dbraw/zinc/58/11/78/923581178.db2.gz JUUKCQYAXVWGSB-RYUDHWBXSA-N 2 0 265.361 -0.329 20 0 CBADRP COC[C@H]([NH3+])C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001549294823 923583495 /nfs/dbraw/zinc/58/34/95/923583495.db2.gz KDIANNAVIGZLKE-AWEZNQCLSA-N 2 0 299.415 -0.033 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001549295464 923585385 /nfs/dbraw/zinc/58/53/85/923585385.db2.gz QPRIIUXCFVCZQZ-RDBSUJKOSA-N 2 0 281.400 -0.053 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC001549298263 923585675 /nfs/dbraw/zinc/58/56/75/923585675.db2.gz GYINJFDCYFSHKX-CVZZAPKMSA-N 2 0 290.371 -0.234 20 0 CBADRP [NH3+][C@H](C(=O)NCC12CC(C1)C[NH2+]2)C1CCOCC1 ZINC001549299834 923588389 /nfs/dbraw/zinc/58/83/89/923588389.db2.gz LRIBLTFAAQETOY-QDYJBQRPSA-N 2 0 253.346 -0.392 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCc1ccncc1O[C@@H]1CC[NH2+]C1 ZINC001549720445 923629059 /nfs/dbraw/zinc/62/90/59/923629059.db2.gz DLZJOHRTTBVIFP-GRYCIOLGSA-N 2 0 276.340 -0.214 20 0 CBADRP C[C@H]([NH3+])CC(=O)NCc1cccc(N2CC[C@H]([NH3+])C2)n1 ZINC001549726415 923630323 /nfs/dbraw/zinc/63/03/23/923630323.db2.gz JRTJZRFWGFKNJA-QWRGUYRKSA-N 2 0 277.372 -0.028 20 0 CBADRP CCC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1 ZINC001549734015 923632387 /nfs/dbraw/zinc/63/23/87/923632387.db2.gz CXJYIKLJLJXDRP-VWYCJHECSA-N 2 0 265.361 -0.199 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549731750 923632438 /nfs/dbraw/zinc/63/24/38/923632438.db2.gz OWTITQJZUCCFNV-JYYRZZBQSA-N 2 0 296.415 -0.267 20 0 CBADRP CC(C)[NH2+]CC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549729716 923632899 /nfs/dbraw/zinc/63/28/99/923632899.db2.gz CJXFIICQQDZDRS-SWLSCSKDSA-N 2 0 296.415 -0.253 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549729382 923632980 /nfs/dbraw/zinc/63/29/80/923632980.db2.gz BQUTZECWQJLPSP-OUCADQQQSA-N 2 0 296.415 -0.253 20 0 CBADRP O=C(Nc1c[nH]nc1[C@H]1CC[NH2+]C1)[C@@H]1C[NH2+]CCOC1 ZINC001549733077 923632995 /nfs/dbraw/zinc/63/29/95/923632995.db2.gz COCYMBUNZMXTEM-VHSXEESVSA-N 2 0 279.344 -0.339 20 0 CBADRP CC(C)([NH3+])CC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549729107 923633040 /nfs/dbraw/zinc/63/30/40/923633040.db2.gz ZOXUBYQMHRQLRQ-SMDDNHRTSA-N 2 0 296.415 -0.123 20 0 CBADRP CC[C@H]([NH3+])C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549728989 923633174 /nfs/dbraw/zinc/63/31/74/923633174.db2.gz WNAHJTSWDWUXDA-GVXVVHGQSA-N 2 0 282.388 -0.513 20 0 CBADRP [NH3+]CCC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549728898 923633391 /nfs/dbraw/zinc/63/33/91/923633391.db2.gz SVQCCDYHLAUBFS-GXFFZTMASA-N 2 0 268.361 -0.902 20 0 CBADRP CC(C)[NH2+]CC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549729717 923633611 /nfs/dbraw/zinc/63/36/11/923633611.db2.gz CJXFIICQQDZDRS-WFASDCNBSA-N 2 0 296.415 -0.253 20 0 CBADRP Cn1cnc([C@H]2CN(C(=O)C(C)(C)[NH3+])C[C@H]2[NH3+])c1 ZINC001549735581 923635425 /nfs/dbraw/zinc/63/54/25/923635425.db2.gz MAKAXWDYCAFCDN-DTWKUNHWSA-N 2 0 251.334 -0.590 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH3+])C1 ZINC001549735816 923635785 /nfs/dbraw/zinc/63/57/85/923635785.db2.gz NJLYNRMPWTUGKV-KXUCPTDWSA-N 2 0 251.334 -0.590 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)C[NH+](C)C)C[C@H]2[NH3+])c1 ZINC001549735142 923635875 /nfs/dbraw/zinc/63/58/75/923635875.db2.gz FDMTYKDSHODFER-NXEZZACHSA-N 2 0 251.334 -0.765 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)CC(C)(C)[NH3+])C[C@H]2[NH3+])c1 ZINC001549734999 923636464 /nfs/dbraw/zinc/63/64/64/923636464.db2.gz IMRWPCSMAHWABF-NXEZZACHSA-N 2 0 265.361 -0.199 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](C(=O)Nc2c[nH]nc2[C@@H]2CC[NH2+]C2)O1 ZINC001549737127 923636662 /nfs/dbraw/zinc/63/66/62/923636662.db2.gz OGYAKHWVDOZKPC-KKZNHRDASA-N 2 0 279.344 -0.198 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549735821 923636791 /nfs/dbraw/zinc/63/67/91/923636791.db2.gz NJLYNRMPWTUGKV-LPEHRKFASA-N 2 0 251.334 -0.590 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[NH2+]C3)C[C@@H]2[NH3+])c1 ZINC001549736885 923636802 /nfs/dbraw/zinc/63/68/02/923636802.db2.gz YZWLZQWRGDHSBT-TUAOUCFPSA-N 2 0 277.372 -0.327 20 0 CBADRP CC[NH2+]CC(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1 ZINC001549736233 923636816 /nfs/dbraw/zinc/63/68/16/923636816.db2.gz RBNDYMGFPIDUND-ZJUUUORDSA-N 2 0 251.334 -0.717 20 0 CBADRP CN(CC[NH3+])C(=O)NCc1ccncc1O[C@@H]1CC[NH2+]C1 ZINC001549741121 923637767 /nfs/dbraw/zinc/63/77/67/923637767.db2.gz OXWUTNWTVYBUEQ-GFCCVEGCSA-N 2 0 293.371 -0.078 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[C@H]3[NH3+])C[C@@H]2[NH3+])c1 ZINC001549740492 923638120 /nfs/dbraw/zinc/63/81/20/923638120.db2.gz WTGJLEWUCJSODO-KKOKHZNYSA-N 2 0 277.372 -0.199 20 0 CBADRP O=C(N1CC[C@@H]2OCC[NH2+][C@@H]2C1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC001549901791 923647487 /nfs/dbraw/zinc/64/74/87/923647487.db2.gz WVWPTLMAOHUXIY-CXTNEJHOSA-N 2 0 279.384 -0.035 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@]34C[C@@H]3C[C@@H]([NH3+])C4)C2)CC1 ZINC001549905959 923647523 /nfs/dbraw/zinc/64/75/23/923647523.db2.gz WFNGTQJSRKLIKD-DSJMHWKBSA-N 2 0 292.427 -0.038 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@]23C[C@@H]2C[C@@H]([NH3+])C3)CCCO1 ZINC001549902061 923648049 /nfs/dbraw/zinc/64/80/49/923648049.db2.gz FKUWBQZKPQULOO-SBFPOUOMSA-N 2 0 253.346 -0.310 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001550063198 923662607 /nfs/dbraw/zinc/66/26/07/923662607.db2.gz KOTPJFZKTUBXEM-DGAVXFQQSA-N 2 0 297.399 -0.153 20 0 CBADRP [NH3+]C[C@@H]1[C@@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1(F)F ZINC001550060694 923663137 /nfs/dbraw/zinc/66/31/37/923663137.db2.gz SZXNZWYMAJVKQO-AXFHLTTASA-N 2 0 288.342 -0.668 20 0 CBADRP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001550060723 923663579 /nfs/dbraw/zinc/66/35/79/923663579.db2.gz VHRZGKCPGVUONI-YNEHKIRRSA-N 2 0 284.379 -0.560 20 0 CBADRP CC(=O)N1CC[C@@]([NH3+])(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC001550073317 923665629 /nfs/dbraw/zinc/66/56/29/923665629.db2.gz KBNSVSUUWPMZQJ-YPMHNXCESA-N 2 0 280.372 -0.663 20 0 CBADRP [NH3+]C[C@@]12CCC[C@@H]1CN(C(=O)CN1CC[NH2+]CC1)C2 ZINC001550069993 923666592 /nfs/dbraw/zinc/66/65/92/923666592.db2.gz YRODIBFSACSZKJ-TZMCWYRMSA-N 2 0 266.389 -0.521 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@H]1C(=O)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550081527 923668727 /nfs/dbraw/zinc/66/87/27/923668727.db2.gz QBXLAJDFWPOLKE-QJPTWQEYSA-N 2 0 267.373 -0.144 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C(=O)NC[C@H]2CC23CC[NH2+]CC3)O1 ZINC001550083255 923668813 /nfs/dbraw/zinc/66/88/13/923668813.db2.gz YZAJGIBVAPTWLW-IJLUTSLNSA-N 2 0 267.373 -0.131 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550084301 923669055 /nfs/dbraw/zinc/66/90/55/923669055.db2.gz YNADSWRYUAEFJH-GFCCVEGCSA-N 2 0 266.389 -0.603 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550084548 923670623 /nfs/dbraw/zinc/67/06/23/923670623.db2.gz FAVGPDDJIUAYHQ-AAEUAGOBSA-N 2 0 296.415 -0.408 20 0 CBADRP C[C@@]1(C(=O)NC[C@@H]2CC23CC[NH2+]CC3)C[NH2+]CCO1 ZINC001550080921 923670795 /nfs/dbraw/zinc/67/07/95/923670795.db2.gz NELBUFAHFUEFIO-AAEUAGOBSA-N 2 0 267.373 -0.129 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087532 923672402 /nfs/dbraw/zinc/67/24/02/923672402.db2.gz WUFLRSAKXSEVSR-IJLUTSLNSA-N 2 0 278.360 -0.444 20 0 CBADRP CCC[C@@](C)([NH3+])C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550088336 923673092 /nfs/dbraw/zinc/67/30/92/923673092.db2.gz NNAHWOCFWKYSIF-WCQYABFASA-N 2 0 280.376 -0.054 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC001550088167 923673181 /nfs/dbraw/zinc/67/31/81/923673181.db2.gz NTCKGPPUVVRDGI-AAEUAGOBSA-N 2 0 292.387 -0.230 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087677 923673411 /nfs/dbraw/zinc/67/34/11/923673411.db2.gz CJVYEOOCLWLDAG-GXSJLCMTSA-N 2 0 266.349 -0.716 20 0 CBADRP O=C(NCc1cccc2c1CC[NH2+]C2)[C@H]1C[C@H](O)C[NH2+]1 ZINC001550091175 923674844 /nfs/dbraw/zinc/67/48/44/923674844.db2.gz WJLACQKIWZDNEM-GXTWGEPZSA-N 2 0 275.352 -0.329 20 0 CBADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@]1(F)CC[NH2+]C1 ZINC001550088915 923675070 /nfs/dbraw/zinc/67/50/70/923675070.db2.gz XWISFDYUTRUVJP-JQWIXIFHSA-N 2 0 282.323 -0.870 20 0 CBADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1CCC[NH2+]1 ZINC001550088457 923675268 /nfs/dbraw/zinc/67/52/68/923675268.db2.gz PSTKMJGTUNYMGN-GHMZBOCLSA-N 2 0 264.333 -0.819 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550089796 923675473 /nfs/dbraw/zinc/67/54/73/923675473.db2.gz WYPPHJZMDZLHNW-MNOVXSKESA-N 2 0 255.362 -0.144 20 0 CBADRP CC[C@H]([NH3+])C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001550092479 923675568 /nfs/dbraw/zinc/67/55/68/923675568.db2.gz HAOFBHHULHOIHH-NWDGAFQWSA-N 2 0 282.388 -0.465 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550089969 923676083 /nfs/dbraw/zinc/67/60/83/923676083.db2.gz YSFMXWJZJIVPBB-VXGBXAGGSA-N 2 0 294.399 -0.640 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1)[NH+](C)C ZINC001550095150 923678109 /nfs/dbraw/zinc/67/81/09/923678109.db2.gz ADCMMBYQHPJIEF-RYUDHWBXSA-N 2 0 280.376 -0.150 20 0 CBADRP C[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1)[C@H](C)[NH3+] ZINC001550093099 923678830 /nfs/dbraw/zinc/67/88/30/923678830.db2.gz UCVARZXWRCSEOB-NTZNESFSSA-N 2 0 296.415 -0.219 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001550096297 923678870 /nfs/dbraw/zinc/67/88/70/923678870.db2.gz JNJLNFSIAFXLIQ-UPJWGTAASA-N 2 0 292.387 -0.102 20 0 CBADRP C[NH+](C)CC(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001550096244 923679064 /nfs/dbraw/zinc/67/90/64/923679064.db2.gz HYQLYXAHYCKIPB-JTQLQIEISA-N 2 0 252.322 -0.928 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@H](n3cc(C[NH3+])nn3)C2)CCC[NH2+]1 ZINC001550094878 923679168 /nfs/dbraw/zinc/67/91/68/923679168.db2.gz ZAZKOKPRWULFLM-DGCLKSJQSA-N 2 0 278.360 -0.348 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001550094960 923679190 /nfs/dbraw/zinc/67/91/90/923679190.db2.gz AVVDTJTZNWSVKO-DRZSPHRISA-N 2 0 292.387 -0.102 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)c3cn(CC[NH3+])nn3)CC[C@H]21 ZINC001550104393 923683367 /nfs/dbraw/zinc/68/33/67/923683367.db2.gz MQWVEHJGJPESJH-CMPLNLGQSA-N 2 0 278.360 -0.597 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)c3cn(CCC[NH3+])nn3)CC[C@@H]21 ZINC001550104429 923683707 /nfs/dbraw/zinc/68/37/07/923683707.db2.gz NISGYORBLWEFTL-AAEUAGOBSA-N 2 0 292.387 -0.207 20 0 CBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550104953 923684162 /nfs/dbraw/zinc/68/41/62/923684162.db2.gz JFVYRYDBZONWIB-ZLOUSURVSA-N 2 0 267.373 -0.003 20 0 CBADRP CC(=O)N1CC[C@]([NH3+])(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC001550103754 923684349 /nfs/dbraw/zinc/68/43/49/923684349.db2.gz ISPQDEYINHXFBD-VNHYZAJKSA-N 2 0 294.399 -0.511 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@H]3[NH3+])CC[C@H]21 ZINC001550105128 923684626 /nfs/dbraw/zinc/68/46/26/923684626.db2.gz YOSYHDGZOOWJQG-DDHJBXDOSA-N 2 0 253.346 -0.345 20 0 CBADRP [NH3+]C[C@H]1CCO[C@@H]1C(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550104019 923684644 /nfs/dbraw/zinc/68/46/44/923684644.db2.gz CERKAKRVQZJBTR-AVCYUNSRSA-N 2 0 267.373 -0.003 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550104947 923684753 /nfs/dbraw/zinc/68/47/53/923684753.db2.gz JFVYRYDBZONWIB-DMGDTADUSA-N 2 0 267.373 -0.003 20 0 CBADRP CC(=O)N1CC[C@]([NH3+])(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC001550103751 923684835 /nfs/dbraw/zinc/68/48/35/923684835.db2.gz ISPQDEYINHXFBD-KCQAQPDRSA-N 2 0 294.399 -0.511 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001550109087 923686955 /nfs/dbraw/zinc/68/69/55/923686955.db2.gz OYBJTIOORPNLTK-QCNOEVLYSA-N 2 0 253.346 -0.297 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NC23CC(C[NH3+])(C2)C3)CC1=O ZINC001550119216 923689082 /nfs/dbraw/zinc/68/90/82/923689082.db2.gz RAHCWZQXFMVMJQ-VCANKDNSSA-N 2 0 294.399 -0.606 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550117329 923689224 /nfs/dbraw/zinc/68/92/24/923689224.db2.gz YPJOAFCOSIVMCE-CHWSQXEVSA-N 2 0 268.405 -0.167 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC23CC(C[NH3+])(C2)C3)CC1=O ZINC001550119213 923689285 /nfs/dbraw/zinc/68/92/85/923689285.db2.gz RAHCWZQXFMVMJQ-QGLTVNCISA-N 2 0 294.399 -0.606 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001550117185 923689401 /nfs/dbraw/zinc/68/94/01/923689401.db2.gz OFOXRKGBHOFVHK-MRBYEJRBSA-N 2 0 253.346 -0.249 20 0 CBADRP C[C@@H](C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1)[C@H](C)[NH3+] ZINC001550116725 923689877 /nfs/dbraw/zinc/68/98/77/923689877.db2.gz RDFKILCSQNJPMO-AGIUHOORSA-N 2 0 268.405 -0.182 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550117166 923690235 /nfs/dbraw/zinc/69/02/35/923690235.db2.gz WQHGKVQGAURSNC-NWDGAFQWSA-N 2 0 254.378 -0.428 20 0 CBADRP CC(C)[NH2+]CC(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550117203 923690969 /nfs/dbraw/zinc/69/09/69/923690969.db2.gz XBUADFJUCNOTGG-ZDUSSCGKSA-N 2 0 268.405 -0.167 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)CC3([NH3+])CC3)C2)CC1 ZINC001550117395 923691085 /nfs/dbraw/zinc/69/10/85/923691085.db2.gz ZRLTUWXMCLMBQE-LBPRGKRZSA-N 2 0 266.389 -0.284 20 0 CBADRP OC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC001550148381 923700134 /nfs/dbraw/zinc/70/01/34/923700134.db2.gz NAFRGZFKTKADJA-FPCVCCKLSA-N 2 0 295.427 -0.010 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]([NH3+])CC3CC3)C[C@@H]2[NH3+])cn1 ZINC001550188634 923706264 /nfs/dbraw/zinc/70/62/64/923706264.db2.gz ZMJVBARSWBWBKQ-AVGNSLFASA-N 2 0 277.372 -0.199 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH2+]CCC12CCC2 ZINC001550204732 923708896 /nfs/dbraw/zinc/70/88/96/923708896.db2.gz JXVFIMPKQQYKQR-LBPRGKRZSA-N 2 0 294.399 -0.401 20 0 CBADRP CC[NH2+]CC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001550197661 923709166 /nfs/dbraw/zinc/70/91/66/923709166.db2.gz LYKSJECWMSVVPK-UHFFFAOYSA-N 2 0 296.415 -0.072 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001550202490 923709212 /nfs/dbraw/zinc/70/92/12/923709212.db2.gz OBJDINCAMWPXKJ-GFCCVEGCSA-N 2 0 296.415 -0.086 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001550195740 923709498 /nfs/dbraw/zinc/70/94/98/923709498.db2.gz VNNGKLGNIHJJBI-QWHCGFSZSA-N 2 0 263.341 -0.209 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]([NH3+])CC3CC3)C2)CC1 ZINC001550191902 923709730 /nfs/dbraw/zinc/70/97/30/923709730.db2.gz CLFXVTPORSDROM-KGLIPLIRSA-N 2 0 280.416 -0.038 20 0 CBADRP N[C@@H]1CN(C(=O)NCc2cccc3c2CC[NH2+]C3)C[C@H]1[NH3+] ZINC001550272412 923712125 /nfs/dbraw/zinc/71/21/25/923712125.db2.gz PCITUJXXUPOJNO-ZIAGYGMSSA-N 2 0 289.383 -0.488 20 0 CBADRP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001550236584 923712696 /nfs/dbraw/zinc/71/26/96/923712696.db2.gz FLWBFOQWQHLKTE-MBNYWOFBSA-N 2 0 267.373 -0.299 20 0 CBADRP [NH3+][C@H]1COCC[C@@H]1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC001550269218 923714316 /nfs/dbraw/zinc/71/43/16/923714316.db2.gz VPFOCFFSXLCNOJ-QLWZBITOSA-N 2 0 254.334 -0.846 20 0 CBADRP N[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C[C@H]1[NH3+] ZINC001550268617 923714483 /nfs/dbraw/zinc/71/44/83/923714483.db2.gz YRNVWKBHVSJKPA-LPWJVIDDSA-N 2 0 281.404 -0.317 20 0 CBADRP [NH3+][C@H]1COCCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001550286547 923715486 /nfs/dbraw/zinc/71/54/86/923715486.db2.gz TULAPQHRRIRLGN-HYWTVENDSA-N 2 0 282.388 -0.114 20 0 CBADRP CN1CCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C[NH3+])C1 ZINC001550276936 923715658 /nfs/dbraw/zinc/71/56/58/923715658.db2.gz GDRCRXUJBFGIMH-WTUNAVPPSA-N 2 0 295.431 -0.199 20 0 CBADRP O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H]1COCC[NH2+]1 ZINC001550278497 923716255 /nfs/dbraw/zinc/71/62/55/923716255.db2.gz UQUPODKYMNHURZ-WVMKXHBISA-N 2 0 282.388 -0.195 20 0 CBADRP N[C@@H]1CN(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C[C@H]1[NH3+] ZINC001550290155 923716765 /nfs/dbraw/zinc/71/67/65/923716765.db2.gz VIKZGIQZIRJARF-MGPQQGTHSA-N 2 0 289.383 -0.619 20 0 CBADRP CN1CCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C[NH3+])C1 ZINC001550276935 923717529 /nfs/dbraw/zinc/71/75/29/923717529.db2.gz GDRCRXUJBFGIMH-GSPSYOTPSA-N 2 0 295.431 -0.199 20 0 CBADRP CC(=O)NCC(=O)N1CCC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001550349448 923720322 /nfs/dbraw/zinc/72/03/22/923720322.db2.gz XBIFPSBQZVVXCH-UONOGXRCSA-N 2 0 296.415 -0.216 20 0 CBADRP [NH3+]C[C@@]12CCC[C@@H]1CN(S(=O)(=O)N1CC[NH2+]CC1)C2 ZINC001550440058 923730625 /nfs/dbraw/zinc/73/06/25/923730625.db2.gz UQTGUWOCMPCBJH-VXGBXAGGSA-N 2 0 288.417 -0.803 20 0 CBADRP C[C@]12C[NH2+]C[C@@H]1CN(C(=O)[C@@H]1C[C@H]3OCC[C@H]3[NH2+]1)C2 ZINC001550722169 923736774 /nfs/dbraw/zinc/73/67/74/923736774.db2.gz DFFMUFDJIGUTAC-YGEZULPYSA-N 2 0 265.357 -0.426 20 0 CBADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)[C@@H]2C1 ZINC001550717946 923736889 /nfs/dbraw/zinc/73/68/89/923736889.db2.gz BVSNQOLFTKLQOR-HPCHECBXSA-N 2 0 295.383 -0.563 20 0 CBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1C[C@H]3OCC[C@H]3[NH2+]1)C2 ZINC001550724049 923737755 /nfs/dbraw/zinc/73/77/55/923737755.db2.gz UYXNMADKHXFTJX-DIACKHNESA-N 2 0 265.357 -0.154 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001550717899 923738192 /nfs/dbraw/zinc/73/81/92/923738192.db2.gz BUEXHNRQSYNOTB-XUXIUFHCSA-N 2 0 294.399 -0.988 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001550720840 923738623 /nfs/dbraw/zinc/73/86/23/923738623.db2.gz MFMFMCVKLALEQH-RMQVTFPSSA-N 2 0 251.330 -0.626 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC001550731972 923740066 /nfs/dbraw/zinc/74/00/66/923740066.db2.gz PUYJVIVZOBBTJG-GHMZBOCLSA-N 2 0 256.350 -0.502 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001550725116 923740356 /nfs/dbraw/zinc/74/03/56/923740356.db2.gz ZSNKODSDTIKLNO-JNGXGDJUSA-N 2 0 251.330 -0.545 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)NC[C@@H]3C[NH2+]CCCO3)C[C@]2(C)C1 ZINC001550730192 923740592 /nfs/dbraw/zinc/74/05/92/923740592.db2.gz FQJMBGFZBRVKQD-IPYPFGDCSA-N 2 0 296.415 -0.042 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001550731513 923740621 /nfs/dbraw/zinc/74/06/21/923740621.db2.gz ASSVOHJIBDFGHS-UPJWGTAASA-N 2 0 284.404 -0.090 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H]1CCC[NH2+]C[C@@H]1F ZINC001550731500 923740764 /nfs/dbraw/zinc/74/07/64/923740764.db2.gz APXJEIHPBZEPIX-SRVKXCTJSA-N 2 0 288.367 -0.246 20 0 CBADRP CC1(C)CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)C[C@H]1[NH3+] ZINC001550731018 923741025 /nfs/dbraw/zinc/74/10/25/923741025.db2.gz KBBDOPOSCJDBEL-WDEREUQCSA-N 2 0 270.377 -0.256 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)NC[C@H]3C[NH2+]CCCO3)C[C@@]2(C)C1 ZINC001550730194 923741618 /nfs/dbraw/zinc/74/16/18/923741618.db2.gz FQJMBGFZBRVKQD-UMVBOHGHSA-N 2 0 296.415 -0.042 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001550732312 923741641 /nfs/dbraw/zinc/74/16/41/923741641.db2.gz SDPGLHNDFUCURM-MXWKQRLJSA-N 2 0 256.350 -0.728 20 0 CBADRP CN(C(=O)NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCC[NH2+]C1 ZINC001550735500 923743816 /nfs/dbraw/zinc/74/38/16/923743816.db2.gz NLCJMZPQOJGXGV-VXGBXAGGSA-N 2 0 270.377 -0.242 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@H]1F)N[C@@H]1CC[NH2+]C12CCC2 ZINC001550746474 923744929 /nfs/dbraw/zinc/74/49/29/923744929.db2.gz PLGNUFDAQYCEKN-OPRDCNLKSA-N 2 0 256.325 -0.120 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N[C@@H]1CC[NH2+]C12CCC2 ZINC001550746471 923744940 /nfs/dbraw/zinc/74/49/40/923744940.db2.gz PLGNUFDAQYCEKN-IVZWLZJFSA-N 2 0 256.325 -0.120 20 0 CBADRP [NH3+]C1CC(NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001550752810 923745934 /nfs/dbraw/zinc/74/59/34/923745934.db2.gz AIEKWLZZNOZKAV-MCIGGMRASA-N 2 0 282.388 -0.066 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)N1CC[NH2+]CC1 ZINC001550757387 923746287 /nfs/dbraw/zinc/74/62/87/923746287.db2.gz XSWGUTIOBMAGCD-LBPRGKRZSA-N 2 0 282.388 -0.240 20 0 CBADRP [NH3+][C@H]1c2ccccc2C[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC001551392148 923771815 /nfs/dbraw/zinc/77/18/15/923771815.db2.gz LOBMXTUGOMOHOL-OLZOCXBDSA-N 2 0 296.396 -0.649 20 0 CBADRP CNC(=O)[C@@]12C[N@H+](C[C@H]3CCC[NH2+]3)C[C@@H]1COCC2 ZINC001551411832 923779309 /nfs/dbraw/zinc/77/93/09/923779309.db2.gz ULRFOLKELPYXKE-BZPMIXESSA-N 2 0 267.373 -0.177 20 0 CBADRP CNC(=O)[C@@]12C[N@H+](C[C@H]3CC[NH2+]C3)C[C@H]1COCC2 ZINC001551411911 923781343 /nfs/dbraw/zinc/78/13/43/923781343.db2.gz UPYJETQMJHODPW-OBJOEFQTSA-N 2 0 267.373 -0.320 20 0 CBADRP [NH3+]C[C@H]1C[C@H]1C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001551462302 923794981 /nfs/dbraw/zinc/79/49/81/923794981.db2.gz YCPMZZAFDNMLOT-VXGBXAGGSA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@H]1C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001551464908 923795835 /nfs/dbraw/zinc/79/58/35/923795835.db2.gz CAQLKVZHPYNHBU-QWHCGFSZSA-N 2 0 297.399 -0.279 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001551464600 923796274 /nfs/dbraw/zinc/79/62/74/923796274.db2.gz LDPNZTBMPHFSEI-NDKCEZKHSA-N 2 0 279.384 -0.036 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H](C(=O)N2CC[NH2+]CCC23CCOCC3)CO1 ZINC001551461402 923796406 /nfs/dbraw/zinc/79/64/06/923796406.db2.gz LMWDXYHYHWPIQT-OLZOCXBDSA-N 2 0 297.399 -0.279 20 0 CBADRP [NH3+][C@@H]1CC12CC(NC(=O)[C@@H]1C[C@H]3OCC[C@@H]3[NH2+]1)C2 ZINC001551462518 923796540 /nfs/dbraw/zinc/79/65/40/923796540.db2.gz ATKLRWBDAJDNDH-MZYDAOIKSA-N 2 0 251.330 -0.498 20 0 CBADRP [NH3+][C@H]1CC12CC(NC(=O)N1CC[C@H](F)[C@H]([NH3+])C1)C2 ZINC001551572852 923803684 /nfs/dbraw/zinc/80/36/84/923803684.db2.gz DFYPQXUTYVXCDN-XIYHTJDTSA-N 2 0 256.325 -0.053 20 0 CBADRP [NH3+][C@@H]1CC12CCC(NC(=O)NC[C@H]1C[NH2+]CCO1)CC2 ZINC001551573258 923803703 /nfs/dbraw/zinc/80/37/03/923803703.db2.gz WGHDIMHGDAQWDC-CBKZZEEASA-N 2 0 282.388 -0.066 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)[C@H](C)C1 ZINC001551581711 923804616 /nfs/dbraw/zinc/80/46/16/923804616.db2.gz OVBSZFSFXFGJDO-BUGODDKZSA-N 2 0 296.415 -0.037 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)NC2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001551586864 923805693 /nfs/dbraw/zinc/80/56/93/923805693.db2.gz ITIZFKMOIVAEII-ATWGWHJKSA-N 2 0 282.388 -0.114 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cnn1C ZINC001552085911 923826137 /nfs/dbraw/zinc/82/61/37/923826137.db2.gz CGNQELWLMNWIRT-DOERSZECSA-N 2 0 291.399 -0.020 20 0 CBADRP C[NH+](C)[C@@H]1CCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC001552087991 923828510 /nfs/dbraw/zinc/82/85/10/923828510.db2.gz POFCFFRYTKBMLH-GHMZBOCLSA-N 2 0 278.360 -0.411 20 0 CBADRP O=C([C@@H]1C[NH2+]CCOC1)N1CCC[C@@H]2C[NH2+]C[C@H]21 ZINC001552088260 923828580 /nfs/dbraw/zinc/82/85/80/923828580.db2.gz RLCIZEZAFZYDEI-IJLUTSLNSA-N 2 0 253.346 -0.567 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC001552088041 923829819 /nfs/dbraw/zinc/82/98/19/923829819.db2.gz QOTPDJLBDDKMQN-GMTAPVOTSA-N 2 0 278.360 -0.330 20 0 CBADRP [NH3+][C@H]1CN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC12CC2 ZINC001552159831 923838881 /nfs/dbraw/zinc/83/88/81/923838881.db2.gz AVVKPOUCJKODEZ-ONGXEEELSA-N 2 0 276.344 -0.624 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H]([NH3+])C2CC2)cnn1C ZINC001552161410 923839251 /nfs/dbraw/zinc/83/92/51/923839251.db2.gz NITPPKRSLKJCIB-IHRRRGAJSA-N 2 0 291.399 -0.115 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cn([C@H]4CC[NH2+]C4)nn3)C[C@@H]12 ZINC001552161316 923839276 /nfs/dbraw/zinc/83/92/76/923839276.db2.gz LQGCIWNMLLMCBM-WRWGMCAJSA-N 2 0 290.371 -0.378 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+]C1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552160971 923839428 /nfs/dbraw/zinc/83/94/28/923839428.db2.gz IWHLHKZAZVVVQM-ZJUUUORDSA-N 2 0 264.333 -0.848 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC001552160820 923839687 /nfs/dbraw/zinc/83/96/87/923839687.db2.gz QUAQLAMOGDGAGB-QWHCGFSZSA-N 2 0 281.400 -0.066 20 0 CBADRP O=C(c1cn([C@H]2CC[NH2+]C2)nn1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC001552161389 923839873 /nfs/dbraw/zinc/83/98/73/923839873.db2.gz NDBNOTZYGPJVCI-NWDGAFQWSA-N 2 0 290.371 -0.221 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N(C)[C@H]2CC[NH2+]C2)cnn1C ZINC001552160874 923839908 /nfs/dbraw/zinc/83/99/08/923839908.db2.gz OVHIAZXCRASKDQ-UBHSHLNASA-N 2 0 291.399 -0.148 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CC[C@H]([NH3+])C2)cnn1C ZINC001552160373 923840121 /nfs/dbraw/zinc/84/01/21/923840121.db2.gz AARQOUURLUOCMQ-DRZSPHRISA-N 2 0 277.372 -0.409 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552160842 923840255 /nfs/dbraw/zinc/84/02/55/923840255.db2.gz IVMQCMQBYWBJPM-UWVGGRQHSA-N 2 0 264.333 -0.706 20 0 CBADRP CC(C)(C[NH3+])NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552162952 923841507 /nfs/dbraw/zinc/84/15/07/923841507.db2.gz HJCNMZYDJWGFSW-QMMMGPOBSA-N 2 0 252.322 -0.720 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CC[NH2+][C@H](C)C2)cnn1C ZINC001552163167 923841538 /nfs/dbraw/zinc/84/15/38/923841538.db2.gz XBJDRLKCGDUKKA-SWHYSGLUSA-N 2 0 291.399 -0.148 20 0 CBADRP O=C(NCC[C@H]1CC[NH2+]C1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552163490 923842019 /nfs/dbraw/zinc/84/20/19/923842019.db2.gz QZZDTSKCAORUKP-MNOVXSKESA-N 2 0 278.360 -0.458 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NCC[C@@H](C)[NH3+])cnn1C ZINC001552163696 923842182 /nfs/dbraw/zinc/84/21/82/923842182.db2.gz UFJMUFQDAILXJK-ICCXJUOJSA-N 2 0 279.388 -0.115 20 0 CBADRP C[NH2+]CCNC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cnn(C)c1C ZINC001552163831 923842362 /nfs/dbraw/zinc/84/23/62/923842362.db2.gz XLSDGXXARXOUKG-VXGBXAGGSA-N 2 0 265.361 -0.633 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC001552163771 923842455 /nfs/dbraw/zinc/84/24/55/923842455.db2.gz VOMDPCWPIFMTLU-WDEREUQCSA-N 2 0 278.360 -0.364 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC[NH2+]1 ZINC001552164091 923842696 /nfs/dbraw/zinc/84/26/96/923842696.db2.gz MYQISGGGLXVGRG-GMTAPVOTSA-N 2 0 278.360 -0.317 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CC[NH2+][C@@H](C)C2)cnn1C ZINC001552163164 923843060 /nfs/dbraw/zinc/84/30/60/923843060.db2.gz XBJDRLKCGDUKKA-BPNCWPANSA-N 2 0 291.399 -0.148 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N[C@H](C)C[NH3+])cnn1C ZINC001552164067 923843182 /nfs/dbraw/zinc/84/31/82/923843182.db2.gz MMHBIGNGJYSXKY-JFUSQASVSA-N 2 0 265.361 -0.505 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001552164175 923844101 /nfs/dbraw/zinc/84/41/01/923844101.db2.gz PBPGYZSMPRXCGS-BXUZGUMPSA-N 2 0 290.371 -0.362 20 0 CBADRP CC(C)[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCOC2)CC[NH2+]1 ZINC001552164487 923844440 /nfs/dbraw/zinc/84/44/40/923844440.db2.gz WGHCRMOMAOQJKQ-NEPJUHHUSA-N 2 0 255.362 -0.321 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC001552167942 923844739 /nfs/dbraw/zinc/84/47/39/923844739.db2.gz ZWUHWZYPBRGGMP-QWRGUYRKSA-N 2 0 278.360 -0.506 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)C(F)F ZINC001552164474 923845008 /nfs/dbraw/zinc/84/50/08/923845008.db2.gz VWNGUKAOABDCHM-JGVFFNPUSA-N 2 0 288.302 -0.475 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H](C)[C@H](C)[NH3+])cnn1C ZINC001552164148 923845285 /nfs/dbraw/zinc/84/52/85/923845285.db2.gz OCPCGVASCOIMIV-VDUILEQBSA-N 2 0 279.388 -0.117 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC001552177200 923845971 /nfs/dbraw/zinc/84/59/71/923845971.db2.gz CQBIQSWGRWSMLP-VXGBXAGGSA-N 2 0 290.371 -0.267 20 0 CBADRP [NH3+]CC1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552195233 923846723 /nfs/dbraw/zinc/84/67/23/923846723.db2.gz VTNNUEQZPPJIEC-WCQYABFASA-N 2 0 253.346 -0.580 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552195266 923847306 /nfs/dbraw/zinc/84/73/06/923847306.db2.gz YQCKWBJALJNERU-DMDPSCGWSA-N 2 0 253.346 -0.567 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552194714 923847479 /nfs/dbraw/zinc/84/74/79/923847479.db2.gz QHFFCSPRLXBCMT-SGMGOOAPSA-N 2 0 267.373 -0.320 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)NCC1C[NH2+]C1)C2 ZINC001552184800 923847886 /nfs/dbraw/zinc/84/78/86/923847886.db2.gz KTBMSHVUBSNNPH-YPMHNXCESA-N 2 0 252.362 -0.024 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552194068 923848041 /nfs/dbraw/zinc/84/80/41/923848041.db2.gz JVHQTSBCCVNLQX-VHRBIJSZSA-N 2 0 267.373 -0.192 20 0 CBADRP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552194089 923848057 /nfs/dbraw/zinc/84/80/57/923848057.db2.gz JXAKKQRTRNVVRY-VTQSIQTBSA-N 2 0 265.357 -0.378 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552195493 923850523 /nfs/dbraw/zinc/85/05/23/923850523.db2.gz YJRSCJGJSHHBLL-MFKMUULPSA-N 2 0 255.362 -0.144 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552199758 923855045 /nfs/dbraw/zinc/85/50/45/923855045.db2.gz IJZJZSFNFBWFBL-RGCMKSIDSA-N 2 0 279.384 -0.035 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)n1 ZINC001552200363 923855250 /nfs/dbraw/zinc/85/52/50/923855250.db2.gz ALFSNELFGPXMRA-SMDDNHRTSA-N 2 0 293.371 -0.381 20 0 CBADRP O=C(N1CC[N@@H+]2CCC[C@@H]2C1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552200256 923855915 /nfs/dbraw/zinc/85/59/15/923855915.db2.gz FBDISUIALRKLOO-OUCADQQQSA-N 2 0 265.357 -0.471 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552200992 923857928 /nfs/dbraw/zinc/85/79/28/923857928.db2.gz YPBFQYQNAMEOLA-WZRBSPASSA-N 2 0 253.346 -0.567 20 0 CBADRP O=C(N1CC[C@H]([NH+]2CCCC2)C1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552200819 923859494 /nfs/dbraw/zinc/85/94/94/923859494.db2.gz FQIWMTRVOYXWCI-KCQAQPDRSA-N 2 0 279.384 -0.081 20 0 CBADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552200976 923859700 /nfs/dbraw/zinc/85/97/00/923859700.db2.gz IUYYYTWCIDDARZ-UMVBOHGHSA-N 2 0 279.384 -0.177 20 0 CBADRP C[NH+]1CCC(CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552201695 923860717 /nfs/dbraw/zinc/86/07/17/923860717.db2.gz SMJKEBHLICCHPF-GXTWGEPZSA-N 2 0 267.373 -0.320 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1COC2)C(F)F ZINC001552202964 923862616 /nfs/dbraw/zinc/86/26/16/923862616.db2.gz BCGVUJUATMSLGW-FYBVGQRMSA-N 2 0 263.288 -0.679 20 0 CBADRP O=C(N1CCC2(C1)CC[NH2+]CC2)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552202463 923862627 /nfs/dbraw/zinc/86/26/27/923862627.db2.gz GRFJOYDHVDSDPJ-IUODEOHRSA-N 2 0 279.384 -0.176 20 0 CBADRP CC(C)[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[NH2+]1 ZINC001552203095 923862660 /nfs/dbraw/zinc/86/26/60/923862660.db2.gz VRHGNPRFXRSGIC-OBJOEFQTSA-N 2 0 267.373 -0.321 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)C[C@@H]12 ZINC001552202693 923863687 /nfs/dbraw/zinc/86/36/87/923863687.db2.gz MHTOGAMEIHFHHR-SKENRDBWSA-N 2 0 265.357 -0.582 20 0 CBADRP C[N@@H+]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552202466 923863714 /nfs/dbraw/zinc/86/37/14/923863714.db2.gz GTSCFZOWOTVSBZ-DGCLKSJQSA-N 2 0 253.346 -0.614 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552204005 923865922 /nfs/dbraw/zinc/86/59/22/923865922.db2.gz MYAYBHQUXQKZGQ-DCQANWLSSA-N 2 0 253.346 -0.534 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552205103 923866050 /nfs/dbraw/zinc/86/60/50/923866050.db2.gz XPUVMVYNQMODIR-FYLLDIAZSA-N 2 0 257.309 -0.961 20 0 CBADRP [NH3+]C[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1COC2)C(F)(F)F ZINC001552210710 923867789 /nfs/dbraw/zinc/86/77/89/923867789.db2.gz JQDCWAGORPCLTD-BKPPORCPSA-N 2 0 267.251 -0.772 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH2+]CC3)CCN2C1=O ZINC001552212616 923868564 /nfs/dbraw/zinc/86/85/64/923868564.db2.gz AUYDNDDZMMMABN-QJPTWQEYSA-N 2 0 280.372 -0.854 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC[C@H]1F ZINC001552216307 923871101 /nfs/dbraw/zinc/87/11/01/923871101.db2.gz PVKNSCRXJPQFST-IVZWLZJFSA-N 2 0 282.323 -0.676 20 0 CBADRP [NH3+]C1(CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CCCC1 ZINC001552218884 923872145 /nfs/dbraw/zinc/87/21/45/923872145.db2.gz YMGUOEBEHBYZNM-ZWNOBZJWSA-N 2 0 253.346 -0.390 20 0 CBADRP [NH3+]C1(CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CCCC1 ZINC001552218882 923872527 /nfs/dbraw/zinc/87/25/27/923872527.db2.gz YMGUOEBEHBYZNM-GXFFZTMASA-N 2 0 253.346 -0.390 20 0 CBADRP [NH3+]C1(CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CCCC1 ZINC001552218883 923872655 /nfs/dbraw/zinc/87/26/55/923872655.db2.gz YMGUOEBEHBYZNM-MFKMUULPSA-N 2 0 253.346 -0.390 20 0 CBADRP C[C@H](NC(=O)[C@@]12C[NH2+]C[C@H]1COC2)C1CC[NH2+]CC1 ZINC001552259758 923874007 /nfs/dbraw/zinc/87/40/07/923874007.db2.gz QHCSXNPNWPOGIW-VHRBIJSZSA-N 2 0 267.373 -0.273 20 0 CBADRP [NH3+]CC1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552274177 923876641 /nfs/dbraw/zinc/87/66/41/923876641.db2.gz IFENRWVZYBAZFV-KMMRNIFNSA-N 2 0 267.373 -0.144 20 0 CBADRP CCN(CC[NH3+])C(=O)[C@@H]1C[NH2+]C[C@H]1c1cnn(C)c1C ZINC001552272208 923877152 /nfs/dbraw/zinc/87/71/52/923877152.db2.gz ZVLYKHZWNHNXLR-QWHCGFSZSA-N 2 0 279.388 -0.161 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552274370 923877868 /nfs/dbraw/zinc/87/78/68/923877868.db2.gz MSMQNIGQKWRFPM-UPJWGTAASA-N 2 0 267.373 -0.273 20 0 CBADRP C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)[C@H]1C[NH2+]CCOC1 ZINC001552273188 923877901 /nfs/dbraw/zinc/87/79/01/923877901.db2.gz MIQWNHACTJEYTM-WYUUTHIRSA-N 2 0 253.346 -0.569 20 0 CBADRP CCN(CC[NH3+])C(=O)[C@H]1C[NH2+]C[C@H]1c1cnn(C)c1C ZINC001552272211 923878159 /nfs/dbraw/zinc/87/81/59/923878159.db2.gz ZVLYKHZWNHNXLR-STQMWFEESA-N 2 0 279.388 -0.161 20 0 CBADRP C[C@H](NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)C1CC[NH2+]CC1 ZINC001552276038 923879621 /nfs/dbraw/zinc/87/96/21/923879621.db2.gz WCQPPFQUKIKFAU-JQWIXIFHSA-N 2 0 292.387 -0.070 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552275758 923880168 /nfs/dbraw/zinc/88/01/68/923880168.db2.gz DFPXJWVVAKBKCO-LPEHRKFASA-N 2 0 264.333 -0.707 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)N2C[C@H](N)[C@@H]([NH3+])C2)CC1 ZINC001552291477 923882643 /nfs/dbraw/zinc/88/26/43/923882643.db2.gz AHCVMEFQJYKZOF-RWMBFGLXSA-N 2 0 295.431 -0.213 20 0 CBADRP C[C@@H]1CN(C(=O)N2C[C@@H](N)[C@H]([NH3+])C2)CC[N@@H+](C2CC2)C1 ZINC001552294070 923885402 /nfs/dbraw/zinc/88/54/02/923885402.db2.gz XRKKLXHSUMDKAR-CYZMBNFOSA-N 2 0 281.404 -0.507 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CC[C@@H]([NH3+])C2)CCCO1 ZINC001552340465 923888216 /nfs/dbraw/zinc/88/82/16/923888216.db2.gz PLGNCXZWVVTRAK-IJLUTSLNSA-N 2 0 270.377 -0.127 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001552346538 923888254 /nfs/dbraw/zinc/88/82/54/923888254.db2.gz KIWXCLBUJCUVNC-FRRDWIJNSA-N 2 0 284.404 -0.009 20 0 CBADRP Cc1c(C(=O)NC[C@@H]2CCC[NH2+]C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552419302 923895349 /nfs/dbraw/zinc/89/53/49/923895349.db2.gz XFJHIZQZLPFEND-NEPJUHHUSA-N 2 0 292.387 -0.150 20 0 CBADRP Cc1c(C(=O)N2CC[NH2+]CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552418652 923896471 /nfs/dbraw/zinc/89/64/71/923896471.db2.gz QXUOMFJPQVSKDB-JTQLQIEISA-N 2 0 264.333 -0.834 20 0 CBADRP Cc1c(C(=O)N[C@H]2CCC[NH2+]C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552419350 923896593 /nfs/dbraw/zinc/89/65/93/923896593.db2.gz YXTBDYMLLKZXQP-QWRGUYRKSA-N 2 0 278.360 -0.397 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)c1cnnn1C1CC[NH2+]CC1 ZINC001552419278 923896633 /nfs/dbraw/zinc/89/66/33/923896633.db2.gz VZSWYUSZRJFFJU-SNVBAGLBSA-N 2 0 278.360 -0.316 20 0 CBADRP Cc1c(C(=O)N2CCC[C@@H]([NH3+])C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552417871 923897171 /nfs/dbraw/zinc/89/71/71/923897171.db2.gz INSYPCNLWNMNHN-GHMZBOCLSA-N 2 0 278.360 -0.316 20 0 CBADRP [NH3+]C[C@@H](NC(=O)c1cnnn1C1CC[NH2+]CC1)C1CC1 ZINC001552420437 923898629 /nfs/dbraw/zinc/89/86/29/923898629.db2.gz ZFUUPODWGJTIQD-LLVKDONJSA-N 2 0 278.360 -0.330 20 0 CBADRP [NH3+]C[C@H](NC(=O)c1cnnn1C1CC[NH2+]CC1)C1CC1 ZINC001552420438 923898810 /nfs/dbraw/zinc/89/88/10/923898810.db2.gz ZFUUPODWGJTIQD-NSHDSACASA-N 2 0 278.360 -0.330 20 0 CBADRP CN1CCN(C(=O)[C@@H]2CCCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC001552420688 923899211 /nfs/dbraw/zinc/89/92/11/923899211.db2.gz XXHLMOVAKNZZKR-VXGBXAGGSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CCCC[NH2+]C2)CCO1 ZINC001552420461 923899262 /nfs/dbraw/zinc/89/92/62/923899262.db2.gz CZHOQTNNSRRMSS-SDDRHHMPSA-N 2 0 255.362 -0.049 20 0 CBADRP Cc1c(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)nnn1[C@@H]1CC[NH2+]C1 ZINC001552436764 923904242 /nfs/dbraw/zinc/90/42/42/923904242.db2.gz HDJJTBGWWFONHJ-MVWJERBFSA-N 2 0 292.387 -0.151 20 0 CBADRP Cc1c(C(=O)N[C@@H](C)C[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552436761 923904260 /nfs/dbraw/zinc/90/42/60/923904260.db2.gz RLXYELWIOZRPMT-CBAPKCEASA-N 2 0 252.322 -0.802 20 0 CBADRP Cc1c(C(=O)NC2CC[NH+](C)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552433040 923904684 /nfs/dbraw/zinc/90/46/84/923904684.db2.gz ZNNGBOORSAWKEN-LBPRGKRZSA-N 2 0 292.387 -0.055 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)c2cc(C3CC[NH2+]CC3)no2)CCO1 ZINC001552436793 923905082 /nfs/dbraw/zinc/90/50/82/923905082.db2.gz RSGJQVDJXWCEIT-NSHDSACASA-N 2 0 294.355 -0.059 20 0 CBADRP Cc1c(C(=O)N2CC[C@@H]([NH+](C)C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552437014 923905198 /nfs/dbraw/zinc/90/51/98/923905198.db2.gz LGPCRFIZBSBULR-VXGBXAGGSA-N 2 0 292.387 -0.103 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC001552434360 923905364 /nfs/dbraw/zinc/90/53/64/923905364.db2.gz LXVMNQRENMSUNL-NSHDSACASA-N 2 0 292.387 -0.116 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001552438112 923907272 /nfs/dbraw/zinc/90/72/72/923907272.db2.gz YXRPTFFPMHLHNZ-BDAKNGLRSA-N 2 0 251.334 -0.176 20 0 CBADRP O=C(NC[C@H]1C[C@@H](F)C[NH2+]1)c1cnnn1C1CC[NH2+]CC1 ZINC001552437619 923907544 /nfs/dbraw/zinc/90/75/44/923907544.db2.gz DUDHHJHYYAQMCC-NXEZZACHSA-N 2 0 296.350 -0.368 20 0 CBADRP C[NH2+]CCN(C)C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001552437163 923907625 /nfs/dbraw/zinc/90/76/25/923907625.db2.gz YYKDIWOQHPZJRA-LLVKDONJSA-N 2 0 280.376 -0.116 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001552438125 923908224 /nfs/dbraw/zinc/90/82/24/923908224.db2.gz YXRPTFFPMHLHNZ-RKDXNWHRSA-N 2 0 251.334 -0.176 20 0 CBADRP [NH3+][C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[C@@H]1F ZINC001552440463 923910226 /nfs/dbraw/zinc/91/02/26/923910226.db2.gz VJTNQYSNAMUDFR-QWRGUYRKSA-N 2 0 296.350 -0.286 20 0 CBADRP Cc1c(C(=O)N2C[C@H]([NH3+])C3(CC3)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552442064 923910285 /nfs/dbraw/zinc/91/02/85/923910285.db2.gz MOIMACRDXSVRHK-MNOVXSKESA-N 2 0 290.371 -0.316 20 0 CBADRP [NH3+][C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC12CC2 ZINC001552442526 923910737 /nfs/dbraw/zinc/91/07/37/923910737.db2.gz SZRWFFZVASPLTH-LBPRGKRZSA-N 2 0 290.371 -0.234 20 0 CBADRP [NH3+][C@H]1CN(Cc2cnn3c2C[NH2+]CC3)CC[C@H]1F ZINC001552686290 923913578 /nfs/dbraw/zinc/91/35/78/923913578.db2.gz BBNMOGKFRMJFPL-MNOVXSKESA-N 2 0 253.325 -0.143 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H](F)CN1Cc1cnn2c1C[NH2+]CC2 ZINC001552686331 923915893 /nfs/dbraw/zinc/91/58/93/923915893.db2.gz CLJNCYBCRLIHRR-MNOVXSKESA-N 2 0 253.325 -0.143 20 0 CBADRP c1nn2c(c1CN1CCN([C@H]3CC[NH2+]C3)CC1)C[NH2+]CC2 ZINC001552687761 923917575 /nfs/dbraw/zinc/91/75/75/923917575.db2.gz ZDPZJNFAEXUZLF-AWEZNQCLSA-N 2 0 290.415 -0.534 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@]34CCC[C@H]3[NH2+]CC4)CCN2C1=O ZINC001552842675 923919474 /nfs/dbraw/zinc/91/94/74/923919474.db2.gz AIRMOCPDJIEHDC-RTWAVKEYSA-N 2 0 292.383 -0.711 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001552820158 923920396 /nfs/dbraw/zinc/92/03/96/923920396.db2.gz HFCALIOARPDOHO-UKRRQHHQSA-N 2 0 280.416 -0.118 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001552808290 923920573 /nfs/dbraw/zinc/92/05/73/923920573.db2.gz ZNZQNDXBBJFWCB-ZIAGYGMSSA-N 2 0 297.447 -0.032 20 0 CBADRP [NH3+][C@@H]1COCC[C@@H]1NC(=O)[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001552854513 923922400 /nfs/dbraw/zinc/92/24/00/923922400.db2.gz PTGZFBJCBXRYPB-BLFANLJRSA-N 2 0 253.346 -0.249 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001552849839 923922596 /nfs/dbraw/zinc/92/25/96/923922596.db2.gz PHKSAACCNWZCDA-UWVGGRQHSA-N 2 0 279.344 -0.795 20 0 CBADRP [NH3+]C[C@H]1CCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC001552900412 923924876 /nfs/dbraw/zinc/92/48/76/923924876.db2.gz MXLWWBPYJNNOJI-GFCCVEGCSA-N 2 0 289.383 -0.088 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N3C[C@@H](N)[C@@H]([NH3+])C3)CC[C@H]21 ZINC001552961116 923927096 /nfs/dbraw/zinc/92/70/96/923927096.db2.gz RKUFTTQVYJVHKC-WISYIIOYSA-N 2 0 267.377 -0.897 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2C[C@@H]3C[NH+](C)C[C@H]3C2)C1 ZINC001552978174 923930643 /nfs/dbraw/zinc/93/06/43/923930643.db2.gz OSMGEDUEWXFXNU-STQMWFEESA-N 2 0 280.416 -0.500 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NCC2CC([NH+](C)C)C2)C1 ZINC001552987047 923932867 /nfs/dbraw/zinc/93/28/67/923932867.db2.gz MVDGQTJLACIJIP-UHFFFAOYSA-N 2 0 282.432 -0.064 20 0 CBADRP C[N@@H+]1CCn2ncc(CN[C@H]3C[NH2+]CCOC3)c2C1 ZINC001553026559 923934172 /nfs/dbraw/zinc/93/41/72/923934172.db2.gz YXZQQRQEGDBMIP-LBPRGKRZSA-N 2 0 265.361 -0.594 20 0 CBADRP NC(=O)C12CC(C1)C[N@@H+]2C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC001553304141 923946325 /nfs/dbraw/zinc/94/63/25/923946325.db2.gz ARUPDIDZYBKZFP-QCKFIBFJSA-N 2 0 265.357 -0.295 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2COCC3)C1 ZINC001553345472 923949003 /nfs/dbraw/zinc/94/90/03/923949003.db2.gz WKEDGQNHTFWUPH-LOWVWBTDSA-N 2 0 253.346 -0.438 20 0 CBADRP [NH3+]C1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COCC3)CC1 ZINC001553341922 923950563 /nfs/dbraw/zinc/95/05/63/923950563.db2.gz CSKPUXBVYFGMMU-MFKMUULPSA-N 2 0 253.346 -0.438 20 0 CBADRP CN1CC[C@]2(C(=O)N3CCC[C@@H]([NH3+])C3)C[NH2+]C[C@@H]2C1 ZINC001553342449 923951420 /nfs/dbraw/zinc/95/14/20/923951420.db2.gz GHYRWXPECOZIAK-BZPMIXESSA-N 3 0 266.389 -0.523 20 0 CBADRP CN1CC[C@]2(C(=O)N3CCC[C@H](C[NH3+])C3)C[NH2+]C[C@@H]2C1 ZINC001553349871 923952371 /nfs/dbraw/zinc/95/23/71/923952371.db2.gz FBPZCTCZWDARJQ-NFAWXSAZSA-N 3 0 280.416 -0.275 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COCC3)C1 ZINC001553348006 923952413 /nfs/dbraw/zinc/95/24/13/923952413.db2.gz HLKTWHVRXAJZIC-WZRBSPASSA-N 2 0 253.346 -0.567 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@]12CC[NH2+][C@@H]1CCCC2 ZINC001553348948 923952451 /nfs/dbraw/zinc/95/24/51/923952451.db2.gz CNZUPSGBXMADJY-UKRRQHHQSA-N 2 0 280.416 -0.070 20 0 CBADRP CN1CC[C@]2(C(=O)N3CC[C@@H]([NH3+])C3)C[NH2+]C[C@@H]2C1 ZINC001553347515 923952846 /nfs/dbraw/zinc/95/28/46/923952846.db2.gz GMVSPRCFLHPEAO-WZRBSPASSA-N 2 0 252.362 -0.913 20 0 CBADRP [NH3+]C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCOC3)C1 ZINC001553352000 923953107 /nfs/dbraw/zinc/95/31/07/923953107.db2.gz BKJDJRIXDWWXIO-GVXVVHGQSA-N 2 0 253.346 -0.580 20 0 CBADRP [NH3+]CC1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CCOC3)CC1 ZINC001553347071 923953174 /nfs/dbraw/zinc/95/31/74/923953174.db2.gz AFIWAEBPPDVTMX-TZMCWYRMSA-N 2 0 267.373 -0.190 20 0 CBADRP [NH3+]C[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001553351994 923953210 /nfs/dbraw/zinc/95/32/10/923953210.db2.gz BKJDJRIXDWWXIO-DMDPSCGWSA-N 2 0 253.346 -0.580 20 0 CBADRP CN1CC[C@]2(C(=O)N3CCC(C[NH3+])CC3)C[NH2+]C[C@@H]2C1 ZINC001553348809 923953253 /nfs/dbraw/zinc/95/32/53/923953253.db2.gz KIAVUCSSOPHFLX-HIFRSBDPSA-N 2 0 280.416 -0.275 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NC[C@@H]3CCCC[NH2+]3)C[NH2+]C[C@H]2C1 ZINC001553352007 923953363 /nfs/dbraw/zinc/95/33/63/923953363.db2.gz LWTCJUQQKIMZEY-YDHLFZDLSA-N 3 0 280.416 -0.214 20 0 CBADRP O=C(N1CCC[NH2+]CC1)[C@@]12C[NH2+]C[C@H]1CCOC2 ZINC001553347095 923953387 /nfs/dbraw/zinc/95/33/87/923953387.db2.gz AQNSSOAPBMMYEK-DGCLKSJQSA-N 2 0 253.346 -0.566 20 0 CBADRP [NH3+]CCCNC(=O)c1csc(N2CC[NH2+]CC2)n1 ZINC001553346798 923953454 /nfs/dbraw/zinc/95/34/54/923953454.db2.gz CEEGHTZGLBPJNX-UHFFFAOYSA-N 2 0 269.374 -0.369 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)c1csc(N2CC[NH2+]CC2)n1 ZINC001553351274 923953629 /nfs/dbraw/zinc/95/36/29/923953629.db2.gz KLFFPXSCWMEATL-SECBINFHSA-N 2 0 281.385 -0.356 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@]12C[NH2+]C[C@H]1CCOC2 ZINC001553352010 923953639 /nfs/dbraw/zinc/95/36/39/923953639.db2.gz FJIVBRFIZPCTBJ-OUCADQQQSA-N 2 0 267.373 -0.272 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001553349452 923953670 /nfs/dbraw/zinc/95/36/70/923953670.db2.gz OEJBHBGVHANZAV-NQBHXWOUSA-N 2 0 253.346 -0.567 20 0 CBADRP CN1CC[C@]2(C(=O)N3CCC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553350048 923954784 /nfs/dbraw/zinc/95/47/84/923954784.db2.gz RNEQJJSWGYNUSA-OCCSQVGLSA-N 3 0 266.389 -0.650 20 0 CBADRP C[C@H]1CN(C(=O)c2csc(N3CC[NH2+]CC3)n2)CC[NH2+]1 ZINC001553354319 923957733 /nfs/dbraw/zinc/95/77/33/923957733.db2.gz ILRZNOAPLAXSLY-JTQLQIEISA-N 2 0 295.412 -0.013 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2COCC3)CC[C@H]1[NH3+] ZINC001553355261 923958270 /nfs/dbraw/zinc/95/82/70/923958270.db2.gz NAAUYLPZEUZHES-CZXHOFHRSA-N 2 0 267.373 -0.192 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2COCC3)C[C@H](C)[NH2+]1 ZINC001553359421 923959838 /nfs/dbraw/zinc/95/98/38/923959838.db2.gz TZNDDKIZBQTCIY-CZXHOFHRSA-N 2 0 267.373 -0.179 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc3c(n2)C[NH2+]CC3)CCO1 ZINC001553359103 923959911 /nfs/dbraw/zinc/95/99/11/923959911.db2.gz KGYFEDTWDFRCSO-HZMBPMFUSA-N 2 0 290.367 -0.085 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(C)CC3)CC[C@@H]1[NH3+] ZINC001553356683 923959957 /nfs/dbraw/zinc/95/99/57/923959957.db2.gz UIENCOURYIXOON-CXTNEJHOSA-N 2 0 280.416 -0.277 20 0 CBADRP CN(C(=O)[C@@]12C[NH2+]C[C@H]1COCC2)[C@H]1CC[NH2+]C1 ZINC001553359403 923961244 /nfs/dbraw/zinc/96/12/44/923961244.db2.gz SPPZAQSAYQXSJC-GVXVVHGQSA-N 2 0 253.346 -0.567 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CCOC2 ZINC001553357345 923961311 /nfs/dbraw/zinc/96/13/11/923961311.db2.gz LLIOSLBICJRTGM-MNXVOIDGSA-N 2 0 267.373 -0.144 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CN(C)CC3)CC1 ZINC001553358704 923962401 /nfs/dbraw/zinc/96/24/01/923962401.db2.gz POTPFBIJPWZULH-SWLSCSKDSA-N 2 0 280.416 -0.262 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CN(C)CC3)CC1 ZINC001553358705 923962495 /nfs/dbraw/zinc/96/24/95/923962495.db2.gz POTPFBIJPWZULH-WFASDCNBSA-N 2 0 280.416 -0.262 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(C)CC3)CCO1 ZINC001553358649 923962615 /nfs/dbraw/zinc/96/26/15/923962615.db2.gz JDWZGFPIOVSXFQ-XFMPKHEZSA-N 2 0 296.415 -0.898 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@H]([NH3+])[C@@H]3C[C@@H]32)[C@@H](C[NH3+])C1 ZINC001553361221 923964760 /nfs/dbraw/zinc/96/47/60/923964760.db2.gz YTMDFTVLIYLWPR-HGCLJGPKSA-N 2 0 252.362 -0.929 20 0 CBADRP CCCNC(=O)CNC(=O)[C@@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553372477 923965496 /nfs/dbraw/zinc/96/54/96/923965496.db2.gz ADOCPAWRNQXGRK-FZMZJTMJSA-N 2 0 282.388 -0.830 20 0 CBADRP C[C@H](O)CCNC(=O)[C@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553387492 923967322 /nfs/dbraw/zinc/96/73/22/923967322.db2.gz XICCRPANWLZLDP-DMDPSCGWSA-N 2 0 255.362 -0.585 20 0 CBADRP C[C@H](O)CCNC(=O)[C@@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553387496 923969275 /nfs/dbraw/zinc/96/92/75/923969275.db2.gz XICCRPANWLZLDP-GVXVVHGQSA-N 2 0 255.362 -0.585 20 0 CBADRP CCNC(=O)[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553397866 923972329 /nfs/dbraw/zinc/97/23/29/923972329.db2.gz OTZKRYSLKQWICO-COPLHBTASA-N 2 0 282.388 -0.832 20 0 CBADRP C[N@@H+]1CC[C@@]2(C(=O)NC3CCOCC3)C[NH2+]C[C@H]2C1 ZINC001553397640 923972742 /nfs/dbraw/zinc/97/27/42/923972742.db2.gz POVDSVUZWNEJHH-SMDDNHRTSA-N 2 0 267.373 -0.177 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)C1CC1 ZINC001553403911 923973844 /nfs/dbraw/zinc/97/38/44/923973844.db2.gz BJXLUDQHPFXDEC-RVMXOQNASA-N 2 0 267.373 -0.038 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553402879 923974239 /nfs/dbraw/zinc/97/42/39/923974239.db2.gz RGNIJHFQUXUDCC-USZNOCQGSA-N 2 0 253.346 -0.297 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553402867 923974345 /nfs/dbraw/zinc/97/43/45/923974345.db2.gz QYFLFBZBRCUAFO-FRRDWIJNSA-N 2 0 267.373 -0.036 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553402924 923975627 /nfs/dbraw/zinc/97/56/27/923975627.db2.gz UMLZCTTVIHUGOB-ZDEQEGDKSA-N 2 0 267.373 -0.036 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC[NH2+]1 ZINC001553404963 923978068 /nfs/dbraw/zinc/97/80/68/923978068.db2.gz CBNJIYHSTACIED-JCIQBVFBSA-N 2 0 253.346 -0.238 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553406666 923980388 /nfs/dbraw/zinc/98/03/88/923980388.db2.gz GRWGWPOOAUDHNK-AATLWQCWSA-N 2 0 275.299 -0.381 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553407928 923980423 /nfs/dbraw/zinc/98/04/23/923980423.db2.gz IFOBDGXBTIJTSN-FIQHERPVSA-N 2 0 253.346 -0.284 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553409054 923983175 /nfs/dbraw/zinc/98/31/75/923983175.db2.gz KYFOIYLRYCXWBO-NOOOWODRSA-N 2 0 253.346 -0.236 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CC[NH+](C)CC1 ZINC001553410607 923983918 /nfs/dbraw/zinc/98/39/18/923983918.db2.gz OTQVGEKVOSCYSB-MQYQWHSLSA-N 2 0 296.415 -0.742 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553410688 923986253 /nfs/dbraw/zinc/98/62/53/923986253.db2.gz QRDAKJOWCQMRBL-RHYQMDGZSA-N 2 0 253.346 -0.426 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553412505 923986430 /nfs/dbraw/zinc/98/64/30/923986430.db2.gz USBZTRRHLMRGME-NDBYEHHHSA-N 2 0 267.373 -0.036 20 0 CBADRP CC1(C)C[NH2+][C@@H]1CNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553412745 923987780 /nfs/dbraw/zinc/98/77/80/923987780.db2.gz UTEMSPCQTNWLLR-XWLWVQCSSA-N 2 0 253.346 -0.380 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)C[C@@H]12 ZINC001553414519 923990016 /nfs/dbraw/zinc/99/00/16/923990016.db2.gz XLLAPAUFWSQASZ-PTEOKISQSA-N 2 0 265.357 -0.299 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553415058 923991215 /nfs/dbraw/zinc/99/12/15/923991215.db2.gz YBRCRKRIOSGWMN-RDBSUJKOSA-N 2 0 297.399 -0.314 20 0 CBADRP CN(C(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1)[C@H]1CC[N@H+](C)C1 ZINC001553422887 923992772 /nfs/dbraw/zinc/99/27/72/923992772.db2.gz MWMJSALUQRCJPB-WHOHXGKFSA-N 2 0 253.346 -0.332 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553429962 923994735 /nfs/dbraw/zinc/99/47/35/923994735.db2.gz LLXINFLUQCOTPR-RWMBFGLXSA-N 2 0 282.388 -0.955 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553428172 923994869 /nfs/dbraw/zinc/99/48/69/923994869.db2.gz FYGXEIZDCNEAPE-ZRUFSTJUSA-N 2 0 289.326 -0.133 20 0 CBADRP Nc1cc[nH+]c(CNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)c1 ZINC001553428448 923994925 /nfs/dbraw/zinc/99/49/25/923994925.db2.gz HYYAZPKWMNIHJJ-SRVKXCTJSA-N 2 0 262.313 -0.201 20 0 CBADRP O=C(Nc1n[nH]c2c1C[NH2+]C2)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553427238 923995199 /nfs/dbraw/zinc/99/51/99/923995199.db2.gz HDYXMCWTAIWOOR-WEDXCCLWSA-N 2 0 263.301 -0.529 20 0 CBADRP [NH3+]C1CC(CCNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553427645 923995322 /nfs/dbraw/zinc/99/53/22/923995322.db2.gz JBIVYKUHWKHWKI-UAQGADGFSA-N 2 0 253.346 -0.251 20 0 CBADRP C[N@H+]1[C@H]2CN(C(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)C[C@H]2C[C@H]1CO ZINC001553429561 923995628 /nfs/dbraw/zinc/99/56/28/923995628.db2.gz RARBCKGWHWBMRG-ORWNZLQRSA-N 2 0 295.383 -0.971 20 0 CBADRP [NH3+]CCC1CC(NC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553430007 923995787 /nfs/dbraw/zinc/99/57/87/923995787.db2.gz SODSZXQKABSYTM-UAQGADGFSA-N 2 0 253.346 -0.251 20 0 CBADRP C[N@H+]1[C@H]2CN(C(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)C[C@H]2C[C@H]1CO ZINC001553429562 923995911 /nfs/dbraw/zinc/99/59/11/923995911.db2.gz RARBCKGWHWBMRG-QUGYJXMDSA-N 2 0 295.383 -0.971 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553428228 923995959 /nfs/dbraw/zinc/99/59/59/923995959.db2.gz FZYVOXJFJCLTSM-LDMBFOFVSA-N 2 0 253.346 -0.523 20 0 CBADRP [NH3+]C1CC(CCNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553427655 923996462 /nfs/dbraw/zinc/99/64/62/923996462.db2.gz JBIVYKUHWKHWKI-VJROTNAKSA-N 2 0 253.346 -0.251 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC001553432513 923997761 /nfs/dbraw/zinc/99/77/61/923997761.db2.gz RCSFKOBWWRQPPJ-MOLYVOAJSA-N 2 0 265.357 -0.284 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553432725 923997942 /nfs/dbraw/zinc/99/79/42/923997942.db2.gz SFNFYQHVASCJSA-KNZXXDILSA-N 2 0 253.346 -0.251 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001553439402 923998574 /nfs/dbraw/zinc/99/85/74/923998574.db2.gz NJVPACYDIRMVEX-LLVKDONJSA-N 2 0 270.377 -0.112 20 0 CBADRP CC1(C)CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C[C@@H]1[NH3+] ZINC001553437065 923999314 /nfs/dbraw/zinc/99/93/14/923999314.db2.gz YFQCSCWMCHXOQQ-RCWTZXSCSA-N 2 0 253.346 -0.299 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1C[C@H]2CC[C@]2([NH3+])C1 ZINC001553446846 924000311 /nfs/dbraw/zinc/00/03/11/924000311.db2.gz DWENTGSMKVTKJY-BZPMIXESSA-N 2 0 281.404 -0.635 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1C[C@@H]([NH3+])C2(CCC2)C1 ZINC001553446962 924000448 /nfs/dbraw/zinc/00/04/48/924000448.db2.gz FLRBIGJGAJJKGS-CHWSQXEVSA-N 2 0 295.431 -0.245 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1C[C@H]([NH3+])C2(CCC2)C1 ZINC001553446965 924001648 /nfs/dbraw/zinc/00/16/48/924001648.db2.gz FLRBIGJGAJJKGS-OLZOCXBDSA-N 2 0 295.431 -0.245 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001553450174 924003128 /nfs/dbraw/zinc/00/31/28/924003128.db2.gz OTPFXAJXFCRGJF-UKRRQHHQSA-N 2 0 295.431 -0.230 20 0 CBADRP [NH3+]C[C@@H](NC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2)C1CC1 ZINC001553495387 924010208 /nfs/dbraw/zinc/01/02/08/924010208.db2.gz FNSZORHFVDDSDF-NEPJUHHUSA-N 2 0 282.388 -0.127 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553494282 924010483 /nfs/dbraw/zinc/01/04/83/924010483.db2.gz DXEOZTGXVKTVJD-AGIUHOORSA-N 2 0 284.404 -0.178 20 0 CBADRP [NH3+]C[C@@H](NC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2)C1CC1 ZINC001553495863 924010982 /nfs/dbraw/zinc/01/09/82/924010982.db2.gz FNSZORHFVDDSDF-VXGBXAGGSA-N 2 0 282.388 -0.127 20 0 CBADRP [NH3+][C@@H](CNC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2)C1CC1 ZINC001553498653 924012135 /nfs/dbraw/zinc/01/21/35/924012135.db2.gz VCRSDUCRAVHUPY-NWDGAFQWSA-N 2 0 282.388 -0.127 20 0 CBADRP C[C@H](C[NH3+])NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553497925 924012946 /nfs/dbraw/zinc/01/29/46/924012946.db2.gz RAMUJKXGEDHQQN-GRYCIOLGSA-N 2 0 270.377 -0.426 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[C@H]2CC[NH2+]C[C@H]2C1 ZINC001553501158 924014052 /nfs/dbraw/zinc/01/40/52/924014052.db2.gz GEEXXHDFQVCJCR-AGIUHOORSA-N 2 0 282.388 -0.384 20 0 CBADRP [NH3+][C@H]1CN(C(=O)NC[C@H]2C[NH2+]CCO2)CC12CCC2 ZINC001553500800 924014497 /nfs/dbraw/zinc/01/44/97/924014497.db2.gz DWOHQBBVOBWRFF-MNOVXSKESA-N 2 0 268.361 -0.502 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001553503246 924015264 /nfs/dbraw/zinc/01/52/64/924015264.db2.gz JUZHYTFWKKPHMC-QJPTWQEYSA-N 2 0 252.362 -0.011 20 0 CBADRP [NH3+]C[C@@H]1[C@H]2CN(C(=O)N[C@@H]3C[NH2+]CCC3(F)F)C[C@H]21 ZINC001553501461 924016112 /nfs/dbraw/zinc/01/61/12/924016112.db2.gz GSJVAMQVDURTSX-DOLQZWNJSA-N 2 0 274.315 -0.170 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553505902 924016170 /nfs/dbraw/zinc/01/61/70/924016170.db2.gz VDZFBFAFGACYNA-ZJUUUORDSA-N 2 0 256.350 -0.599 20 0 CBADRP [NH3+]C1CC(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC001553513003 924018574 /nfs/dbraw/zinc/01/85/74/924018574.db2.gz KTQXBTRUCFIQBM-HOAMVYINSA-N 2 0 296.415 -0.036 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553511528 924018735 /nfs/dbraw/zinc/01/87/35/924018735.db2.gz UGXFVOSRTOUYCQ-MNOVXSKESA-N 2 0 270.377 -0.256 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553510565 924019178 /nfs/dbraw/zinc/01/91/78/924019178.db2.gz QNVRVKACHWPFPS-YNEHKIRRSA-N 2 0 284.404 -0.165 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)NCCN1CCC([NH3+])CC1 ZINC001553523727 924021753 /nfs/dbraw/zinc/02/17/53/924021753.db2.gz ARMFHRMGRFCDKP-UHFFFAOYSA-N 2 0 281.404 -0.458 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)NCC3(C[NH3+])CC3)C2)CC1 ZINC001553525502 924022071 /nfs/dbraw/zinc/02/20/71/924022071.db2.gz DRTIYCBGLUDRGT-ZDUSSCGKSA-N 2 0 295.431 -0.243 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553517619 924022469 /nfs/dbraw/zinc/02/24/69/924022469.db2.gz MMNXDVNNEQHWGZ-XUXIUFHCSA-N 2 0 296.415 -0.023 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553519422 924022539 /nfs/dbraw/zinc/02/25/39/924022539.db2.gz QTKKQEHRKXAKQQ-SDDRHHMPSA-N 2 0 282.388 -0.114 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)N3C[C@@H](N)[C@@H]([NH3+])C3)C[C@H]2C1 ZINC001553523491 924022639 /nfs/dbraw/zinc/02/26/39/924022639.db2.gz FGQMKTYXCGLBMV-KSTCHIGDSA-N 2 0 295.431 -0.261 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553524401 924022713 /nfs/dbraw/zinc/02/27/13/924022713.db2.gz DZOPUMCAGZHYQS-WOPDTQHZSA-N 2 0 282.388 -0.256 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001553528236 924024952 /nfs/dbraw/zinc/02/49/52/924024952.db2.gz NDOWCTLOIFVIKS-ZIAGYGMSSA-N 2 0 295.431 -0.055 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001553535206 924025427 /nfs/dbraw/zinc/02/54/27/924025427.db2.gz YWBVZMNWDRJCND-RDBSUJKOSA-N 2 0 295.431 -0.374 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001553534231 924026575 /nfs/dbraw/zinc/02/65/75/924026575.db2.gz WPDQKNUPCDEYTR-KXNHARMFSA-N 2 0 292.387 -0.536 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553527901 924026828 /nfs/dbraw/zinc/02/68/28/924026828.db2.gz KNBDHHODHMHZAY-UPJWGTAASA-N 2 0 296.415 -0.090 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001553545238 924027485 /nfs/dbraw/zinc/02/74/85/924027485.db2.gz RTCLGUYGQCHISF-LNFKQOIKSA-N 2 0 256.325 -0.168 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3C[NH2+]C[C@H]3F)C2)CC1 ZINC001553543865 924028960 /nfs/dbraw/zinc/02/89/60/924028960.db2.gz OUHHFCHSVMBULD-UPJWGTAASA-N 2 0 299.394 -0.672 20 0 CBADRP CO[C@@H]1CCC[C@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000576391230 335197438 /nfs/dbraw/zinc/19/74/38/335197438.db2.gz QJLGAJRHQAYLPJ-SOUVJXGZSA-N 2 0 285.432 -0.001 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NCC[C@H]2CCC[NH2+]2)CC1=O ZINC000444257108 282103423 /nfs/dbraw/zinc/10/34/23/282103423.db2.gz BNEAXVJKQFBUMF-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)NCC[NH+]1CCC1 ZINC000337585321 214167987 /nfs/dbraw/zinc/16/79/87/214167987.db2.gz DWNUEZMBONLUAX-UHFFFAOYSA-N 2 0 272.393 -0.040 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000125209493 187174680 /nfs/dbraw/zinc/17/46/80/187174680.db2.gz PXTAGMXHTUSOBW-LBPRGKRZSA-N 2 0 282.388 -0.462 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000337710185 282142759 /nfs/dbraw/zinc/14/27/59/282142759.db2.gz BEOHJOMJRVQVSE-SMDDNHRTSA-N 2 0 284.404 -0.165 20 0 CBADRP CNC(=O)NC(=O)CC[NH+]1CCC(C[NH2+]C)CC1 ZINC000063165866 290640496 /nfs/dbraw/zinc/64/04/96/290640496.db2.gz ADRCJTAZLFTVRT-UHFFFAOYSA-N 2 0 256.350 -0.237 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000493945262 230340246 /nfs/dbraw/zinc/34/02/46/230340246.db2.gz PJAVIPWYEBUYMM-SDDRHHMPSA-N 2 0 284.404 -0.327 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000423235470 282182770 /nfs/dbraw/zinc/18/27/70/282182770.db2.gz NBWJNCJOOYGQMM-VXGBXAGGSA-N 2 0 282.388 -0.511 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419887922 282182799 /nfs/dbraw/zinc/18/27/99/282182799.db2.gz JSMLUWPRCQNNQW-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000250569879 293117429 /nfs/dbraw/zinc/11/74/29/293117429.db2.gz DSJYMMLNBUEAAN-WOPDTQHZSA-N 2 0 255.362 -0.097 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H](C)[NH+](C)C ZINC000126209987 187224552 /nfs/dbraw/zinc/22/45/52/187224552.db2.gz YQEPXUNBZCIBFY-ONGXEEELSA-N 2 0 258.366 -0.848 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000419124227 290664494 /nfs/dbraw/zinc/66/44/94/290664494.db2.gz QTQCUNXJTHLFSE-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000573487698 334941498 /nfs/dbraw/zinc/94/14/98/334941498.db2.gz JMPYBQGVTQBLRW-BBBLOLIVSA-N 2 0 257.334 -0.490 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCC(=O)N3CCOCC3)C[C@H]12 ZINC000351488848 219104726 /nfs/dbraw/zinc/10/47/26/219104726.db2.gz GJYGDDVSUBDSJN-FRRDWIJNSA-N 2 0 267.373 -0.096 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351520446 219112565 /nfs/dbraw/zinc/11/25/65/219112565.db2.gz RTEOBWIKQBEARL-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP [NH3+]C[C@@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000351530593 219116452 /nfs/dbraw/zinc/11/64/52/219116452.db2.gz BKNJPVPODXJCGA-QWHCGFSZSA-N 2 0 296.415 -0.122 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccoc2)CC1 ZINC000573557033 334946643 /nfs/dbraw/zinc/94/66/43/334946643.db2.gz NQGBLAUHHOSCOY-CYBMUJFWSA-N 2 0 253.346 -0.023 20 0 CBADRP CC[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351557938 219124918 /nfs/dbraw/zinc/12/49/18/219124918.db2.gz QMDKPSTVTPVRNU-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351561545 219126575 /nfs/dbraw/zinc/12/65/75/219126575.db2.gz YYMLBDXWDKHBEI-RAIGVLPGSA-N 2 0 294.399 -0.547 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351559090 219125378 /nfs/dbraw/zinc/12/53/78/219125378.db2.gz UAJYXUZWILRFDX-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[NH+](CC)CCCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351570204 219129984 /nfs/dbraw/zinc/12/99/84/219129984.db2.gz NLFOYTCZUVISQG-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CN1CCN(C(=O)CC[N@H+](C)C2CC([NH3+])C2)CC1 ZINC000420344817 282398038 /nfs/dbraw/zinc/39/80/38/282398038.db2.gz YLSRBYVBBYJQQE-UHFFFAOYSA-N 2 0 254.378 -0.428 20 0 CBADRP C[N@H+](CCC(=O)NC(=O)Nc1ccccc1)C[C@H](O)C[NH3+] ZINC000420349675 282398953 /nfs/dbraw/zinc/39/89/53/282398953.db2.gz DOXGKIARKMIURL-GFCCVEGCSA-N 2 0 294.355 -0.024 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085365388 179036435 /nfs/dbraw/zinc/03/64/35/179036435.db2.gz NPYWGCMVYCHUSA-NEPJUHHUSA-N 2 0 254.378 -0.523 20 0 CBADRP CCCC[NH+]1CCC(NC(=O)CNC(=O)C[NH3+])CC1 ZINC000037626860 351401536 /nfs/dbraw/zinc/40/15/36/351401536.db2.gz CMYHGMAZYGLYCT-UHFFFAOYSA-N 2 0 270.377 -0.558 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000040636787 351417961 /nfs/dbraw/zinc/41/79/61/351417961.db2.gz UNKYABUAOMZHEE-NWDGAFQWSA-N 2 0 255.362 -0.036 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000040829707 351419233 /nfs/dbraw/zinc/41/92/33/351419233.db2.gz MNOYAEMEKGZQNF-NWDGAFQWSA-N 2 0 255.362 -0.300 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000062972609 351577850 /nfs/dbraw/zinc/57/78/50/351577850.db2.gz HUVIPTMRUUWJEB-NEPJUHHUSA-N 2 0 255.362 -0.083 20 0 CBADRP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C[NH2+]C)CC1 ZINC000063166175 351579075 /nfs/dbraw/zinc/57/90/75/351579075.db2.gz LNAUDHLVYHIMSQ-SECBINFHSA-N 2 0 256.350 -0.238 20 0 CBADRP CCNC(=O)NC(=O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000063165949 351579324 /nfs/dbraw/zinc/57/93/24/351579324.db2.gz PDQJFKJZMDZOCA-UHFFFAOYSA-N 2 0 256.350 -0.237 20 0 CBADRP C[NH2+]CC1CC[NH+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000063165889 351579414 /nfs/dbraw/zinc/57/94/14/351579414.db2.gz YNUOVPOMARGOEE-UHFFFAOYSA-N 2 0 268.361 -0.094 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccno2)C1 ZINC000063180240 351580075 /nfs/dbraw/zinc/58/00/75/351580075.db2.gz BXZTUHMCYKJNCR-JTQLQIEISA-N 2 0 252.318 -0.039 20 0 CBADRP CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180355 351580195 /nfs/dbraw/zinc/58/01/95/351580195.db2.gz PUKHPARKHVWSTI-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP CC(C)[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179926 351580452 /nfs/dbraw/zinc/58/04/52/351580452.db2.gz RKPRQKUQWFKUTE-STQMWFEESA-N 2 0 298.431 -0.066 20 0 CBADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000070074105 351634654 /nfs/dbraw/zinc/63/46/54/351634654.db2.gz OVHUPCBPSRTZPZ-GFCCVEGCSA-N 2 0 255.362 -0.094 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000070174115 351635706 /nfs/dbraw/zinc/63/57/06/351635706.db2.gz SOPGWWSJIQKLCN-UWVGGRQHSA-N 2 0 254.334 -0.403 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000073643578 351655223 /nfs/dbraw/zinc/65/52/23/351655223.db2.gz NLAKXSPSJZXOCM-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000073643574 351655332 /nfs/dbraw/zinc/65/53/32/351655332.db2.gz NLAKXSPSJZXOCM-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000068807712 351622550 /nfs/dbraw/zinc/62/25/50/351622550.db2.gz LWLLWZZWHIEUTI-HUUCEWRRSA-N 2 0 290.411 -0.082 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000091394253 351743948 /nfs/dbraw/zinc/74/39/48/351743948.db2.gz LJFQSRSTKSGKCJ-SDDRHHMPSA-N 2 0 255.362 -0.084 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000092137576 351748647 /nfs/dbraw/zinc/74/86/47/351748647.db2.gz ORVOPKSZSDOTDX-TUAOUCFPSA-N 2 0 255.362 -0.179 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000092924512 351753975 /nfs/dbraw/zinc/75/39/75/351753975.db2.gz PXZWRIZCJZEXQC-CYBMUJFWSA-N 2 0 291.359 -0.031 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000092957070 351754623 /nfs/dbraw/zinc/75/46/23/351754623.db2.gz ZNBSPUYMDZYNIT-QJPTWQEYSA-N 2 0 254.378 -0.654 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094571535 351763960 /nfs/dbraw/zinc/76/39/60/351763960.db2.gz LPMCFFCXVUVLHC-MNOVXSKESA-N 2 0 259.350 -0.813 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NCC[NH+](CC)CC ZINC000115987256 351821691 /nfs/dbraw/zinc/82/16/91/351821691.db2.gz JLNRONKDXUITOB-UHFFFAOYSA-N 2 0 258.366 -0.830 20 0 CBADRP CN(CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCC[NH+]1C ZINC000119366994 351832769 /nfs/dbraw/zinc/83/27/69/351832769.db2.gz XFQQLTOJLXGDLE-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CCS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000112362264 351807749 /nfs/dbraw/zinc/80/77/49/351807749.db2.gz WADMBKLLWWWHKZ-UHFFFAOYSA-N 2 0 251.396 -0.239 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000114384922 351817515 /nfs/dbraw/zinc/81/75/15/351817515.db2.gz JUGXWFRGKCMQFB-CHWSQXEVSA-N 2 0 268.405 -0.167 20 0 CBADRP CC[C@@H]1C[N@H+](CCC(=O)NC(=O)NC)CC[C@@H]1[NH3+] ZINC000122807924 351853827 /nfs/dbraw/zinc/85/38/27/351853827.db2.gz VGMDWMVLHGDFNZ-ZJUUUORDSA-N 2 0 256.350 -0.109 20 0 CBADRP C[NH2+]CCN(C)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000120663743 351842629 /nfs/dbraw/zinc/84/26/29/351842629.db2.gz PPAHFADLJADVDX-NSHDSACASA-N 2 0 270.377 -0.926 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000130465618 351879194 /nfs/dbraw/zinc/87/91/94/351879194.db2.gz NJDNTHZRFCBZCO-GFCCVEGCSA-N 2 0 284.404 -0.264 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000130516857 351880040 /nfs/dbraw/zinc/88/00/40/351880040.db2.gz HSFCPWGVYLBHAK-AGIUHOORSA-N 2 0 283.372 -0.656 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000127247303 351863470 /nfs/dbraw/zinc/86/34/70/351863470.db2.gz ZOGNHFSEZRDIEU-JHJVBQTASA-N 2 0 268.405 -0.264 20 0 CBADRP C[NH+](C)CC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000128872012 351866295 /nfs/dbraw/zinc/86/62/95/351866295.db2.gz ACONOSPSGIKECZ-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP CN(C)CC[NH+]1CCC(CNC(=O)C[NH+](C)C)CC1 ZINC000129617516 351873062 /nfs/dbraw/zinc/87/30/62/351873062.db2.gz GRBWSNNUXXPKQT-UHFFFAOYSA-N 2 0 270.421 -0.062 20 0 CBADRP NC(=O)NC(=O)CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000129667318 351873149 /nfs/dbraw/zinc/87/31/49/351873149.db2.gz DVJMVDPSXITVRP-LLVKDONJSA-N 2 0 284.360 -0.775 20 0 CBADRP CC[NH2+]CC1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000129973847 351876150 /nfs/dbraw/zinc/87/61/50/351876150.db2.gz SOBFBQOVRPRXGZ-UHFFFAOYSA-N 2 0 294.399 -0.095 20 0 CBADRP CN1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)[C@H](C[NH3+])C1 ZINC000136809167 351920917 /nfs/dbraw/zinc/92/09/17/351920917.db2.gz ATMZFJLGBBTDHT-NEPJUHHUSA-N 3 0 266.389 -0.523 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)NCC[C@H]1CCC[NH2+]C1 ZINC000152755573 351940115 /nfs/dbraw/zinc/94/01/15/351940115.db2.gz VJOIJVLVHIQBEQ-NEPJUHHUSA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000131762112 351888955 /nfs/dbraw/zinc/88/89/55/351888955.db2.gz PRZOKYDPGAKIFI-NXEZZACHSA-N 2 0 268.361 -0.014 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000132094094 351890829 /nfs/dbraw/zinc/89/08/29/351890829.db2.gz NOGIUJHIGIDZOV-LBPRGKRZSA-N 2 0 282.388 -0.701 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000132163725 351890930 /nfs/dbraw/zinc/89/09/30/351890930.db2.gz CUWVAVVPNXRIHM-RYUDHWBXSA-N 2 0 282.388 -0.558 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)NCC[NH+](C)C ZINC000133753751 351900865 /nfs/dbraw/zinc/90/08/65/351900865.db2.gz ZUOMPNYIMPXUNW-UHFFFAOYSA-N 2 0 260.382 -0.185 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CCC[C@H]([NH2+]C)C2)CC1 ZINC000133993492 351903470 /nfs/dbraw/zinc/90/34/70/351903470.db2.gz NOPNUUWXBQXSPH-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP CC[C@]1(C(=O)NCCCN2CC[NH2+]CC2)CCC[NH2+]1 ZINC000134364804 351905628 /nfs/dbraw/zinc/90/56/28/351905628.db2.gz RZQWFZFRXFCMND-CQSZACIVSA-N 2 0 268.405 -0.070 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C[NH2+]C2CC2)CC1 ZINC000154679448 351946869 /nfs/dbraw/zinc/94/68/69/351946869.db2.gz XRRJOFRQGVYNGW-LBPRGKRZSA-N 2 0 268.405 -0.119 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])COC)CC1 ZINC000159770991 351965702 /nfs/dbraw/zinc/96/57/02/351965702.db2.gz XRCOPTBYZAKXHI-NSHDSACASA-N 2 0 259.350 -0.859 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)NCCN2CCOCC2)C1 ZINC000162696996 351978180 /nfs/dbraw/zinc/97/81/80/351978180.db2.gz WPJZYOBLPNQWQA-ZDUSSCGKSA-N 2 0 284.404 -0.088 20 0 CBADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000164990879 351984399 /nfs/dbraw/zinc/98/43/99/351984399.db2.gz LWODGNCHOSKBIQ-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)CC[N@@H+]1C[C@@H](C)O ZINC000168013486 351991797 /nfs/dbraw/zinc/99/17/97/351991797.db2.gz VMDGDPCTWPSFFT-JHJVBQTASA-N 2 0 269.389 -0.101 20 0 CBADRP CN1CC[C@@H]([N@H+](C)CCCN2CC[NH+](C)CC2)C1=O ZINC000174712990 352049620 /nfs/dbraw/zinc/04/96/20/352049620.db2.gz PDCIQRKBMDEDPM-CYBMUJFWSA-N 2 0 268.405 -0.214 20 0 CBADRP CN1CCO[C@@H](C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000174700493 352049944 /nfs/dbraw/zinc/04/99/44/352049944.db2.gz ZLPGFUFGRXXJNJ-CYBMUJFWSA-N 2 0 267.373 -0.129 20 0 CBADRP CCNC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000178648210 352080784 /nfs/dbraw/zinc/08/07/84/352080784.db2.gz RHMCKWQUFAYTPP-UHFFFAOYSA-N 2 0 284.404 -0.488 20 0 CBADRP O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1C[NH2+]CCO1 ZINC000178708175 352081805 /nfs/dbraw/zinc/08/18/05/352081805.db2.gz SORJTYVYANQQJT-ZDUSSCGKSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C([C@H]1CCC[NH2+]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178844793 352083709 /nfs/dbraw/zinc/08/37/09/352083709.db2.gz LAGJEMDAMJXRRF-QWHCGFSZSA-N 2 0 267.373 -0.081 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000178881961 352084564 /nfs/dbraw/zinc/08/45/64/352084564.db2.gz WBLGPDHXLQNJKJ-CHWSQXEVSA-N 2 0 268.405 -0.119 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000178880575 352084581 /nfs/dbraw/zinc/08/45/81/352084581.db2.gz FZKYIGFZKNFXOR-CHWSQXEVSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000178881934 352084892 /nfs/dbraw/zinc/08/48/92/352084892.db2.gz WBLGPDHXLQNJKJ-OLZOCXBDSA-N 2 0 268.405 -0.119 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000178880590 352084916 /nfs/dbraw/zinc/08/49/16/352084916.db2.gz FZKYIGFZKNFXOR-OLZOCXBDSA-N 2 0 268.405 -0.262 20 0 CBADRP O=C(NC1CC1)C(=O)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178959047 352086866 /nfs/dbraw/zinc/08/68/66/352086866.db2.gz SRJSJIJUYCSLIP-UHFFFAOYSA-N 2 0 294.399 -0.591 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N(C)[C@@H]2CC[NH2+]C2)CC1 ZINC000179091794 352087924 /nfs/dbraw/zinc/08/79/24/352087924.db2.gz XGDXEHYRZPOXRK-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000179196389 352088762 /nfs/dbraw/zinc/08/87/62/352088762.db2.gz YVYCHFNKRHQFFE-LBPRGKRZSA-N 2 0 256.394 -0.180 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)Cn1cccn1 ZINC000179282988 352089213 /nfs/dbraw/zinc/08/92/13/352089213.db2.gz MPGKDLVKGRRRPA-HNNXBMFYSA-N 2 0 295.431 -0.187 20 0 CBADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000179855872 352092652 /nfs/dbraw/zinc/09/26/52/352092652.db2.gz LVRCUEJSRAGBGW-TZMCWYRMSA-N 2 0 299.415 -0.474 20 0 CBADRP [NH3+]C[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)C1CCCCC1 ZINC000187179151 352136028 /nfs/dbraw/zinc/13/60/28/352136028.db2.gz BAKKJPJNFCKHSS-VXGBXAGGSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)C[N@@H+]1C1CC1 ZINC000188272315 352150616 /nfs/dbraw/zinc/15/06/16/352150616.db2.gz NQPLSGXMZDNHIN-CKYFFXLPSA-N 2 0 253.346 -0.284 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)C[N@@H+]1C1CC1 ZINC000188272339 352150753 /nfs/dbraw/zinc/15/07/53/352150753.db2.gz NQPLSGXMZDNHIN-HOSYDEDBSA-N 2 0 253.346 -0.284 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000188726709 352156952 /nfs/dbraw/zinc/15/69/52/352156952.db2.gz CMGWDQQLDYBBHZ-VIFPVBQESA-N 2 0 263.345 -0.263 20 0 CBADRP O=C(NCCCC[NH+]1CCOCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188723743 352157501 /nfs/dbraw/zinc/15/75/01/352157501.db2.gz DKEZBPMCRQNZFT-NWDGAFQWSA-N 2 0 273.352 -0.085 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000187605924 352139489 /nfs/dbraw/zinc/13/94/89/352139489.db2.gz YCACCFSJQDQNHE-NSHDSACASA-N 2 0 268.361 -0.852 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000187890281 352143120 /nfs/dbraw/zinc/14/31/20/352143120.db2.gz RHGCXOOOMOGITQ-BFHYXJOUSA-N 2 0 299.415 -0.164 20 0 CBADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188074189 352147138 /nfs/dbraw/zinc/14/71/38/352147138.db2.gz LWODGNCHOSKBIQ-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000188093428 352147602 /nfs/dbraw/zinc/14/76/02/352147602.db2.gz MRKQPHSULSUNDG-NWDGAFQWSA-N 2 0 255.362 -0.225 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188181468 352148595 /nfs/dbraw/zinc/14/85/95/352148595.db2.gz YFQPHJIKBXIRHI-WDEREUQCSA-N 2 0 258.341 -0.902 20 0 CBADRP C[C@H](CS(C)(=O)=O)[NH2+]CCOCC[NH+](C)C ZINC000219322265 352236599 /nfs/dbraw/zinc/23/65/99/352236599.db2.gz OXDLPPVJHUICBT-SNVBAGLBSA-N 2 0 252.380 -0.413 20 0 CBADRP CCS(=O)(=O)C[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000219304444 352236667 /nfs/dbraw/zinc/23/66/67/352236667.db2.gz PVTKXIYDBVYSHX-LLVKDONJSA-N 2 0 266.407 -0.023 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000219035949 352236753 /nfs/dbraw/zinc/23/67/53/352236753.db2.gz PJTLRAZBLGZQDK-AAEUAGOBSA-N 2 0 286.420 -0.068 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NC2(C)CC[NH2+]CC2)CC1=O ZINC000193376330 352204308 /nfs/dbraw/zinc/20/43/08/352204308.db2.gz NFKJJJYSYDBCQI-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1=O ZINC000195236715 352223692 /nfs/dbraw/zinc/22/36/92/352223692.db2.gz ANZSVYKJLVMHCW-RWMBFGLXSA-N 2 0 294.399 -0.926 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195227237 352223994 /nfs/dbraw/zinc/22/39/94/352223994.db2.gz TZZMTHBIBJAOIT-AXFHLTTASA-N 2 0 255.387 -0.241 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000225356028 352247036 /nfs/dbraw/zinc/24/70/36/352247036.db2.gz FAOXJPHZWKMHLV-RYUDHWBXSA-N 2 0 254.378 -0.510 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)COC1CC[NH2+]CC1 ZINC000226083906 352251284 /nfs/dbraw/zinc/25/12/84/352251284.db2.gz XSDVKNVISZTNOI-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@H](CNC(=O)C[C@H]1C[NH2+]CCO1)[N@H+](C)C1CC1 ZINC000226399346 352252202 /nfs/dbraw/zinc/25/22/02/352252202.db2.gz GVWWYPDITMRWOW-PWSUYJOCSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)[N@H+](C)C1CC1 ZINC000226399333 352252264 /nfs/dbraw/zinc/25/22/64/352252264.db2.gz GVWWYPDITMRWOW-ZYHUDNBSSA-N 2 0 255.362 -0.036 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000232116669 352279617 /nfs/dbraw/zinc/27/96/17/352279617.db2.gz DDSFWWVZHQLDPY-AWEZNQCLSA-N 2 0 299.415 -0.079 20 0 CBADRP C[NH+](C)CCOCC[NH2+]C[C@H](O)Cn1cccn1 ZINC000234253961 352281711 /nfs/dbraw/zinc/28/17/11/352281711.db2.gz QUOCAGVNYQBQIC-LBPRGKRZSA-N 2 0 256.350 -0.588 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000236643408 352292122 /nfs/dbraw/zinc/29/21/22/352292122.db2.gz PHODEMCPXAPTKI-STQMWFEESA-N 2 0 298.431 -0.114 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC[NH3+])CC1=O ZINC000236831486 352294687 /nfs/dbraw/zinc/29/46/87/352294687.db2.gz ZXHMQOBIGCVZNP-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)CCC[NH3+])CC1 ZINC000236838151 352294848 /nfs/dbraw/zinc/29/48/48/352294848.db2.gz LIAKXXZDCRVEHC-UHFFFAOYSA-N 2 0 284.404 -0.262 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000236838190 352295224 /nfs/dbraw/zinc/29/52/24/352295224.db2.gz IEVLYOAPQKWYBV-UHFFFAOYSA-N 2 0 298.431 -0.001 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000236873987 352295381 /nfs/dbraw/zinc/29/53/81/352295381.db2.gz JYXCSXRRRRNUCI-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000236870926 352295401 /nfs/dbraw/zinc/29/54/01/352295401.db2.gz WBIPVHUYTQQMCC-OLZOCXBDSA-N 2 0 268.405 -0.167 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000236888617 352296237 /nfs/dbraw/zinc/29/62/37/352296237.db2.gz SGFZJSXQRVRXEW-QWHCGFSZSA-N 2 0 268.405 -0.119 20 0 CBADRP CC[NH2+]CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000236936372 352296841 /nfs/dbraw/zinc/29/68/41/352296841.db2.gz ABNVNHOPSHLSTF-NSHDSACASA-N 2 0 270.377 -0.878 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000237048522 352298549 /nfs/dbraw/zinc/29/85/49/352298549.db2.gz XXQHLJJAVDTPTG-SRVKXCTJSA-N 2 0 255.362 -0.036 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CCC[NH2+]C2)CC1=O ZINC000237161210 352300391 /nfs/dbraw/zinc/30/03/91/352300391.db2.gz AGMPSHYLEIJVEF-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@](C)(C[NH3+])C2CC2)CC1=O ZINC000237162584 352300865 /nfs/dbraw/zinc/30/08/65/352300865.db2.gz GMLUSGLJPFQQAQ-IAQYHMDHSA-N 2 0 296.415 -0.360 20 0 CBADRP COCC[NH2+]CC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000237181947 352301612 /nfs/dbraw/zinc/30/16/12/352301612.db2.gz SMFJVUCNQNGTTH-UHFFFAOYSA-N 2 0 286.420 -0.635 20 0 CBADRP COCC[NH2+]CC(=O)NCCCC[NH+]1CCOCC1 ZINC000237179535 352301702 /nfs/dbraw/zinc/30/17/02/352301702.db2.gz WZXZDXSSXQXMRH-UHFFFAOYSA-N 2 0 273.377 -0.549 20 0 CBADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000237502199 352305947 /nfs/dbraw/zinc/30/59/47/352305947.db2.gz PQFQCUAJTRAJDX-MCIONIFRSA-N 2 0 299.415 -0.020 20 0 CBADRP C[C@@]1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCCC[NH2+]1 ZINC000237483578 352306494 /nfs/dbraw/zinc/30/64/94/352306494.db2.gz BHBJOBRYHOLDNK-DOMZBBRYSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000237663391 352308084 /nfs/dbraw/zinc/30/80/84/352308084.db2.gz DZISNPACJAXFMX-CHWSQXEVSA-N 2 0 268.405 -0.119 20 0 CBADRP O=C([C@H]1CCC[NH2+]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000238001020 352313076 /nfs/dbraw/zinc/31/30/76/352313076.db2.gz WKYQVIFDTFYNAL-CHWSQXEVSA-N 2 0 267.373 -0.081 20 0 CBADRP CN1CCO[C@@H](C(=O)NC[C@H]2CN(C3CC3)CCO2)C1 ZINC000245469708 352321435 /nfs/dbraw/zinc/32/14/35/352321435.db2.gz VLTGYXQPAWGRJC-QWHCGFSZSA-N 2 0 283.372 -0.704 20 0 CBADRP C[C@@H](C(=O)NC(N)=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246225264 352330491 /nfs/dbraw/zinc/33/04/91/352330491.db2.gz RJLJBTXITXWSMS-QWRGUYRKSA-N 2 0 268.361 -0.013 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CSCN2)C[C@@H]1N1CCOCC1 ZINC000246531926 352334905 /nfs/dbraw/zinc/33/49/05/352334905.db2.gz RXMAFQJRQJIFFX-UTUOFQBUSA-N 2 0 285.413 -0.172 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(CC(=O)N3CCNC3=O)CC[C@H]21 ZINC000247286430 352345090 /nfs/dbraw/zinc/34/50/90/352345090.db2.gz TWOFLYQSWSIHBJ-NWDGAFQWSA-N 2 0 280.372 -0.046 20 0 CBADRP COC(=O)CNC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248201854 352350408 /nfs/dbraw/zinc/35/04/08/352350408.db2.gz YYZGEVRDAJSXJD-VXGBXAGGSA-N 2 0 283.372 -0.308 20 0 CBADRP CC[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[N@@H+]1C[C@H](C)O ZINC000249099816 352361310 /nfs/dbraw/zinc/36/13/10/352361310.db2.gz ZQDIGYUFGXQDJA-RWMBFGLXSA-N 2 0 285.388 -0.722 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000250369165 352372393 /nfs/dbraw/zinc/37/23/93/352372393.db2.gz VISVJCYAWHDIRU-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000250412112 352372441 /nfs/dbraw/zinc/37/24/41/352372441.db2.gz WSLCLIAHWUGMMX-RYUDHWBXSA-N 2 0 286.445 -0.557 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000261903624 352400031 /nfs/dbraw/zinc/40/00/31/352400031.db2.gz XAUHXARAMKWVJX-STQMWFEESA-N 2 0 268.405 -0.180 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CCC[NH2+]C1 ZINC000250521529 352373368 /nfs/dbraw/zinc/37/33/68/352373368.db2.gz LITFGCKVBFJIQI-RWMBFGLXSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1C[NH2+]CCO1 ZINC000250860706 352373919 /nfs/dbraw/zinc/37/39/19/352373919.db2.gz QDOWETVYWAKBNI-GRYCIOLGSA-N 2 0 253.346 -0.282 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000251072771 352374522 /nfs/dbraw/zinc/37/45/22/352374522.db2.gz ZFILTRYOZCBNDE-GRYCIOLGSA-N 2 0 282.388 -0.560 20 0 CBADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000251747107 352374897 /nfs/dbraw/zinc/37/48/97/352374897.db2.gz GQXHIRJALSLZBH-SDDRHHMPSA-N 2 0 256.394 -0.278 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000251386435 352374947 /nfs/dbraw/zinc/37/49/47/352374947.db2.gz QPJRDUBVFDGROF-NEPJUHHUSA-N 2 0 255.362 -0.190 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1C[C@H](O)C[NH2+]1 ZINC000252408124 352375962 /nfs/dbraw/zinc/37/59/62/352375962.db2.gz IKENJHYZPILXDX-IRCOFANPSA-N 2 0 253.346 -0.548 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)O1 ZINC000261833913 352397085 /nfs/dbraw/zinc/39/70/85/352397085.db2.gz QEFIAFONISQLSC-MCIONIFRSA-N 2 0 297.399 -0.327 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261804315 352397806 /nfs/dbraw/zinc/39/78/06/352397806.db2.gz HCZURGLBOVBDOR-NXEZZACHSA-N 2 0 296.337 -0.078 20 0 CBADRP O=C(C1C[NH2+]C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000262186648 352409612 /nfs/dbraw/zinc/40/96/12/352409612.db2.gz FKCKJKOITMGXPN-UHFFFAOYSA-N 2 0 267.373 -0.223 20 0 CBADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C3C[NH2+]C3)CC2)CCO1 ZINC000262207188 352410021 /nfs/dbraw/zinc/41/00/21/352410021.db2.gz IEIHGEFRUAFZQJ-NSHDSACASA-N 2 0 267.373 -0.083 20 0 CBADRP C[NH+]1CCN(c2cc(CNC(=O)CC[NH3+])ccn2)CC1 ZINC000263283783 352441205 /nfs/dbraw/zinc/44/12/05/352441205.db2.gz SWFBBYZCDFFDPR-UHFFFAOYSA-N 2 0 277.372 -0.202 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262252707 352412636 /nfs/dbraw/zinc/41/26/36/352412636.db2.gz WZNMXPKQVUWBJF-LBPRGKRZSA-N 2 0 282.388 -0.639 20 0 CBADRP CC[C@H]1CN(C(=O)C2C[NH2+]C2)CC[N@@H+]1CCOC ZINC000262271439 352413659 /nfs/dbraw/zinc/41/36/59/352413659.db2.gz TWZNSTVUFHTTNB-LBPRGKRZSA-N 2 0 255.362 -0.225 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000262335004 352416311 /nfs/dbraw/zinc/41/63/11/352416311.db2.gz BPNGNSAMYUOINB-JTQLQIEISA-N 2 0 256.350 -0.948 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000262333614 352416508 /nfs/dbraw/zinc/41/65/08/352416508.db2.gz FGZUWXUUKMYBHF-FRRDWIJNSA-N 2 0 269.389 -0.197 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CCO1 ZINC000262360062 352418425 /nfs/dbraw/zinc/41/84/25/352418425.db2.gz KHNOSCTUMXXCBW-SGMGOOAPSA-N 2 0 267.373 -0.048 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000262417712 352421662 /nfs/dbraw/zinc/42/16/62/352421662.db2.gz RIXNQUWPLSHAEU-STQMWFEESA-N 2 0 285.388 -0.408 20 0 CBADRP C[C@@H](CNC(=O)C[C@H]1COCC[NH2+]1)N1CCOCC1 ZINC000262484123 352423465 /nfs/dbraw/zinc/42/34/65/352423465.db2.gz ZXIOCVAJEPAJKW-RYUDHWBXSA-N 2 0 271.361 -0.798 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NCC[C@@H]2CC[NH2+]C2)CC1=O ZINC000262595690 352427336 /nfs/dbraw/zinc/42/73/36/352427336.db2.gz USKRJQIBLVKVJH-QWHCGFSZSA-N 2 0 296.415 -0.488 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000262637335 352429534 /nfs/dbraw/zinc/42/95/34/352429534.db2.gz ILRUQAYUVUWIGJ-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)C(C)(C)[NH3+])CC1 ZINC000262663145 352430164 /nfs/dbraw/zinc/43/01/64/352430164.db2.gz ZVEAKKPTTBCYLG-LLVKDONJSA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000262764220 352433939 /nfs/dbraw/zinc/43/39/39/352433939.db2.gz IXHQXKSETNZYDY-YNEHKIRRSA-N 2 0 296.415 -0.395 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[NH2+]1 ZINC000262892390 352435615 /nfs/dbraw/zinc/43/56/15/352435615.db2.gz OTBLMGYZEPKZEN-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000262893906 352435686 /nfs/dbraw/zinc/43/56/86/352435686.db2.gz OVXPVWQAHQIBBX-QWHCGFSZSA-N 2 0 287.404 -0.177 20 0 CBADRP O=C(CCN(C1CC1)[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC000261967836 352401740 /nfs/dbraw/zinc/40/17/40/352401740.db2.gz BDQGOURCNKBTNJ-CYBMUJFWSA-N 2 0 266.389 -0.365 20 0 CBADRP C[NH2+]CCC1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000261971299 352401850 /nfs/dbraw/zinc/40/18/50/352401850.db2.gz DEJIZWNHYBLALX-UHFFFAOYSA-N 2 0 263.407 -0.143 20 0 CBADRP O=C(CC[N@@H+]1CCC[C@]2(CNC(=O)C2)C1)N1CC[NH2+]CC1 ZINC000262124389 352406905 /nfs/dbraw/zinc/40/69/05/352406905.db2.gz NNMKNYFPTOJUCW-HNNXBMFYSA-N 2 0 294.399 -0.590 20 0 CBADRP O=C(CC[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1)N1CC[NH2+]CC1 ZINC000262124391 352407285 /nfs/dbraw/zinc/40/72/85/352407285.db2.gz NNMKNYFPTOJUCW-OAHLLOKOSA-N 2 0 294.399 -0.590 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000300698105 352734490 /nfs/dbraw/zinc/73/44/90/352734490.db2.gz ULQBURJLSDKKHO-IJLUTSLNSA-N 2 0 255.362 -0.097 20 0 CBADRP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000302410112 352740258 /nfs/dbraw/zinc/74/02/58/352740258.db2.gz PRXSUEZGDMCEKK-SECBINFHSA-N 2 0 260.338 -0.872 20 0 CBADRP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000302410114 352740312 /nfs/dbraw/zinc/74/03/12/352740312.db2.gz PRXSUEZGDMCEKK-VIFPVBQESA-N 2 0 260.338 -0.872 20 0 CBADRP C[C@@H](CC(N)=O)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000304711071 352747274 /nfs/dbraw/zinc/74/72/74/352747274.db2.gz LXEZJGACNQMLDW-NWDGAFQWSA-N 2 0 257.378 -0.067 20 0 CBADRP CN(CC[N@H+](C)CC1(CO)COC1)C1CC[NH+](C)CC1 ZINC000305617908 352748856 /nfs/dbraw/zinc/74/88/56/352748856.db2.gz FMTYDGIFNWBNJO-UHFFFAOYSA-N 2 0 285.432 -0.047 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@]2(CC[NH+](C)C2)C1 ZINC000312734051 352776093 /nfs/dbraw/zinc/77/60/93/352776093.db2.gz TUJWTDRZRYZOOB-GJZGRUSLSA-N 2 0 285.432 -0.047 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CCCN(C(C)=O)CC1 ZINC000311037499 352764942 /nfs/dbraw/zinc/76/49/42/352764942.db2.gz OJXXMLBSPLUYAP-ZDUSSCGKSA-N 2 0 257.378 -0.147 20 0 CBADRP CO[C@@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)C[C@@H]1OC ZINC000311052823 352764974 /nfs/dbraw/zinc/76/49/74/352764974.db2.gz ILYRPERWAZCTIH-UPJWGTAASA-N 2 0 258.362 -0.213 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000311104517 352765795 /nfs/dbraw/zinc/76/57/95/352765795.db2.gz SUNIFRQUPFMXSX-NEPJUHHUSA-N 2 0 255.362 -0.097 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000311648862 352769202 /nfs/dbraw/zinc/76/92/02/352769202.db2.gz DKZIRXVEPCZDAT-LBPRGKRZSA-N 2 0 265.361 -0.261 20 0 CBADRP C[NH+](C)C[C@H]1CCCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000312027715 352772753 /nfs/dbraw/zinc/77/27/53/352772753.db2.gz WSZBKRHEODPCPK-VXGBXAGGSA-N 2 0 291.417 -0.669 20 0 CBADRP CN1CCO[C@@H]2CN(C(=O)CCn3ccnc3)C[C@H]21 ZINC000329974566 352801498 /nfs/dbraw/zinc/80/14/98/352801498.db2.gz DDUDNDGPJWLICI-VXGBXAGGSA-N 2 0 264.329 -0.185 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)C[N@@H+]1C1CC1 ZINC000331388202 352910953 /nfs/dbraw/zinc/91/09/53/352910953.db2.gz LOWDFFROQGDGNG-IJLUTSLNSA-N 2 0 294.399 -0.452 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000331411177 352913042 /nfs/dbraw/zinc/91/30/42/352913042.db2.gz RMJBHYPPFAPQHO-GMXVVIOVSA-N 2 0 294.399 -0.594 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C[C@@H]1[NH3+] ZINC000331579234 352925447 /nfs/dbraw/zinc/92/54/47/352925447.db2.gz LJUCQNJLYJSPFR-RYUDHWBXSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C[C@H]1[NH3+] ZINC000331579237 352925489 /nfs/dbraw/zinc/92/54/89/352925489.db2.gz LJUCQNJLYJSPFR-VXGBXAGGSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H]1[NH3+] ZINC000331681928 352926606 /nfs/dbraw/zinc/92/66/06/352926606.db2.gz UBJKOEFZJPXYJL-FDYHWXHSSA-N 2 0 294.399 -0.465 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332184615 352939590 /nfs/dbraw/zinc/93/95/90/352939590.db2.gz AMATUQYZNLVPST-CHWSQXEVSA-N 2 0 294.399 -0.497 20 0 CBADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000332229510 352940224 /nfs/dbraw/zinc/94/02/24/352940224.db2.gz LSTXPURSNWXAEZ-JHJVBQTASA-N 2 0 294.399 -0.369 20 0 CBADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000332229511 352940436 /nfs/dbraw/zinc/94/04/36/352940436.db2.gz LSTXPURSNWXAEZ-UPJWGTAASA-N 2 0 294.399 -0.369 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1[NH3+] ZINC000332218787 352940510 /nfs/dbraw/zinc/94/05/10/352940510.db2.gz IOHPBSNGTREBFQ-UTUOFQBUSA-N 2 0 280.372 -0.901 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000332247871 352941344 /nfs/dbraw/zinc/94/13/44/352941344.db2.gz AZYYSTDPVNIRRO-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000332259178 352941470 /nfs/dbraw/zinc/94/14/70/352941470.db2.gz ALCKEIIBPHADGL-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC[NH2+]1 ZINC000332306602 352943119 /nfs/dbraw/zinc/94/31/19/352943119.db2.gz WKPIXBINSAVPQP-FRRDWIJNSA-N 2 0 294.399 -0.641 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000332328288 352944948 /nfs/dbraw/zinc/94/49/48/352944948.db2.gz NJPQSUFYGMMFLE-LBPRGKRZSA-N 2 0 282.388 -0.639 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000332326105 352945012 /nfs/dbraw/zinc/94/50/12/352945012.db2.gz LICNJGASIZREKO-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)C[C@H]1[NH3+] ZINC000332357071 352946479 /nfs/dbraw/zinc/94/64/79/352946479.db2.gz WVHONLJPHSOCAB-VXGBXAGGSA-N 2 0 282.388 -0.654 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000332372244 352947307 /nfs/dbraw/zinc/94/73/07/352947307.db2.gz YMLKGRDGJXWHNZ-UHFFFAOYSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332570444 352966692 /nfs/dbraw/zinc/96/66/92/352966692.db2.gz CMFFHOOEMIJCTE-YNEHKIRRSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC[NH2+]1 ZINC000332592168 352968590 /nfs/dbraw/zinc/96/85/90/352968590.db2.gz AUACFHPYRCNYME-NEPJUHHUSA-N 2 0 280.372 -0.887 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)[C@H]1C ZINC000333490471 353001554 /nfs/dbraw/zinc/00/15/54/353001554.db2.gz DFEMGRQAMUUCNL-SDDRHHMPSA-N 2 0 270.377 -0.243 20 0 CBADRP C[C@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)C[NH+]1CCCC1 ZINC000333798399 353010823 /nfs/dbraw/zinc/01/08/23/353010823.db2.gz NRIHIAYQGUBNGB-AGIUHOORSA-N 2 0 284.404 -0.308 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH2+]2)C[C@H](C)[N@H+]1CCO ZINC000333830976 353012017 /nfs/dbraw/zinc/01/20/17/353012017.db2.gz MNPFHFINRHXXPP-XQQFMLRXSA-N 2 0 284.404 -0.165 20 0 CBADRP CN(C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1C[NH2+]C[C@@H]1O ZINC000333904440 353013614 /nfs/dbraw/zinc/01/36/14/353013614.db2.gz CGWSKOVXLTUKDX-RNJOBUHISA-N 2 0 282.388 -0.413 20 0 CBADRP C[N@H+](C[C@H](O)CN1CCOCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000336823713 353060325 /nfs/dbraw/zinc/06/03/25/353060325.db2.gz QXXVECNOCQFJCV-CABCVRRESA-N 2 0 285.432 -0.047 20 0 CBADRP CN(C)S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000336819180 353060438 /nfs/dbraw/zinc/06/04/38/353060438.db2.gz YQZUJAZVXQWZIC-UHFFFAOYSA-N 2 0 292.449 -0.249 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NCCC[NH+]1CCCC1 ZINC000336826189 353060995 /nfs/dbraw/zinc/06/09/95/353060995.db2.gz JMWVAJCXIZZXES-CYBMUJFWSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[NH+](CC)CCCNC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000336826711 353061423 /nfs/dbraw/zinc/06/14/23/353061423.db2.gz UASQXXIWWOMMOE-CYBMUJFWSA-N 2 0 286.420 -0.066 20 0 CBADRP CC[C@@H](CO)[NH+]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000336841979 353062995 /nfs/dbraw/zinc/06/29/95/353062995.db2.gz SYIPRLGMPPIRHZ-ZFWWWQNUSA-N 2 0 285.432 -0.170 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NC[C@H](C)[NH+](C)C ZINC000336736561 353050846 /nfs/dbraw/zinc/05/08/46/353050846.db2.gz YQEPXUNBZCIBFY-GXSJLCMTSA-N 2 0 258.366 -0.848 20 0 CBADRP CC[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+](C)C ZINC000338970811 353126612 /nfs/dbraw/zinc/12/66/12/353126612.db2.gz YOGNIQOAVAEKLO-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]([NH3+])CC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000340185250 353154999 /nfs/dbraw/zinc/15/49/99/353154999.db2.gz JTDXMVVMVCYYHJ-RYUDHWBXSA-N 2 0 256.394 -0.277 20 0 CBADRP C[C@H]([NH3+])CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000340185808 353155661 /nfs/dbraw/zinc/15/56/61/353155661.db2.gz PFWVVTDJLOILBX-WDEREUQCSA-N 2 0 270.377 -0.573 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000340207780 353156594 /nfs/dbraw/zinc/15/65/94/353156594.db2.gz WLWPRTYHKNAKKV-QWHCGFSZSA-N 2 0 296.415 -0.168 20 0 CBADRP O[C@@H]1COC[C@@H]1[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000340292767 353162503 /nfs/dbraw/zinc/16/25/03/353162503.db2.gz ZBXIYEQOCBUVCT-UONOGXRCSA-N 2 0 270.373 -0.210 20 0 CBADRP COC(=O)CNC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341174397 353204481 /nfs/dbraw/zinc/20/44/81/353204481.db2.gz PYGSIZWIBYZIQG-UHFFFAOYSA-N 2 0 271.361 -0.451 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000342765445 353232233 /nfs/dbraw/zinc/23/22/33/353232233.db2.gz OJZPACZCIJZMMJ-UTUOFQBUSA-N 2 0 283.372 -0.038 20 0 CBADRP COC(=O)c1cn(CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)nn1 ZINC000342807024 353233544 /nfs/dbraw/zinc/23/35/44/353233544.db2.gz VKQYIJAKCBMZLU-MNOVXSKESA-N 2 0 281.360 -0.006 20 0 CBADRP CS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342130831 353219575 /nfs/dbraw/zinc/21/95/75/353219575.db2.gz NYWRXNKTSHMXDP-DCAQKATOSA-N 2 0 261.391 -0.405 20 0 CBADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)OC)C1 ZINC000342687580 353227312 /nfs/dbraw/zinc/22/73/12/353227312.db2.gz BKROSHQZWSXRSX-QWRGUYRKSA-N 2 0 271.361 -0.133 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000342689276 353228410 /nfs/dbraw/zinc/22/84/10/353228410.db2.gz DGMOZFIJHUYKEL-VIFPVBQESA-N 2 0 259.350 -0.277 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000342704042 353228949 /nfs/dbraw/zinc/22/89/49/353228949.db2.gz KYVHMKCTRTXKOM-XQQFMLRXSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000342704041 353229245 /nfs/dbraw/zinc/22/92/45/353229245.db2.gz KYVHMKCTRTXKOM-RWMBFGLXSA-N 2 0 296.415 -0.170 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000342723825 353229743 /nfs/dbraw/zinc/22/97/43/353229743.db2.gz BESOHCPVSGJVEY-STQMWFEESA-N 2 0 296.415 -0.310 20 0 CBADRP CN(C(=O)[C@H]1C[NH+]2CCN1CCC2)[C@H]1CCC[N@H+](C)C1 ZINC000343557771 353278714 /nfs/dbraw/zinc/27/87/14/353278714.db2.gz ZZVRFRYRCYFXBS-UONOGXRCSA-N 2 0 280.416 -0.071 20 0 CBADRP O=C(NCCNc1cc[nH+]cc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343199418 353259253 /nfs/dbraw/zinc/25/92/53/353259253.db2.gz BBTHONJFQQLGRM-AWEZNQCLSA-N 2 0 289.383 -0.579 20 0 CBADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343316631 353266715 /nfs/dbraw/zinc/26/67/15/353266715.db2.gz FUIGOOYDJMHJCX-CYBMUJFWSA-N 2 0 268.405 -0.167 20 0 CBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343324075 353268113 /nfs/dbraw/zinc/26/81/13/353268113.db2.gz PMJCIDPVVBPRDR-JSGCOSHPSA-N 2 0 278.400 -0.271 20 0 CBADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000343642542 353283013 /nfs/dbraw/zinc/28/30/13/353283013.db2.gz OZNBMFBIISECLJ-VWYCJHECSA-N 2 0 268.361 -0.807 20 0 CBADRP Cc1nc(N[C@H](C)C[NH+](C)C)nc(N[C@@H](C)C[NH+](C)C)n1 ZINC000343794138 353291481 /nfs/dbraw/zinc/29/14/81/353291481.db2.gz OTMBGSNWEWRLBH-PHIMTYICSA-N 2 0 295.435 -0.252 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000419999777 295860347 /nfs/dbraw/zinc/86/03/47/295860347.db2.gz SMAZCOWJZLKNNU-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH+]1CCC(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000345529778 353334930 /nfs/dbraw/zinc/33/49/30/353334930.db2.gz WAAFKCQIWVCKHN-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)CCC[N@@H+]1C ZINC000345332513 353324081 /nfs/dbraw/zinc/32/40/81/353324081.db2.gz YKNGZMKKTKHACS-HZSPNIEDSA-N 2 0 280.416 -0.025 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000346227798 353367195 /nfs/dbraw/zinc/36/71/95/353367195.db2.gz QSMCKZONDSNIDT-VXGBXAGGSA-N 2 0 254.378 -0.557 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000346536698 353382235 /nfs/dbraw/zinc/38/22/35/353382235.db2.gz TXOOOBMLRVRDBN-YPMHNXCESA-N 2 0 296.415 -0.395 20 0 CBADRP CC(=O)NCC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000347995393 353403894 /nfs/dbraw/zinc/40/38/94/353403894.db2.gz HTQXFRYIFXIWKV-UHFFFAOYSA-N 2 0 286.420 -0.146 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000348918980 353440348 /nfs/dbraw/zinc/44/03/48/353440348.db2.gz AHADXGUUMLMQNS-LBPRGKRZSA-N 2 0 256.394 -0.310 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000348987902 353442936 /nfs/dbraw/zinc/44/29/36/353442936.db2.gz AFHZICVFZKDVIR-ZDUSSCGKSA-N 2 0 297.399 -0.454 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)CCOC2C[NH2+]C2)CC[N@@H+]1C ZINC000348988509 353443215 /nfs/dbraw/zinc/44/32/15/353443215.db2.gz HXODRRVWEKSSTK-GHMZBOCLSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H](CNC(=O)CCOC1C[NH2+]C1)N1CC[NH+](C)CC1 ZINC000348992429 353444314 /nfs/dbraw/zinc/44/43/14/353444314.db2.gz IECYNDDYZHYPRA-LBPRGKRZSA-N 2 0 284.404 -0.883 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)CCOC2C[NH2+]C2)C[C@@H](C)O1 ZINC000349026327 353445851 /nfs/dbraw/zinc/44/58/51/353445851.db2.gz JZONVTSZNILPQH-CHWSQXEVSA-N 2 0 299.415 -0.020 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349047566 353446397 /nfs/dbraw/zinc/44/63/97/353446397.db2.gz HAWFEIUGRSGMKY-SNVBAGLBSA-N 2 0 253.346 -0.282 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349047565 353446507 /nfs/dbraw/zinc/44/65/07/353446507.db2.gz HAWFEIUGRSGMKY-JTQLQIEISA-N 2 0 253.346 -0.282 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCC(=O)NC(N)=O ZINC000348578628 353428883 /nfs/dbraw/zinc/42/88/83/353428883.db2.gz OPOPBDCOSSQCME-UHFFFAOYSA-N 2 0 285.392 -0.859 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000350046374 353470808 /nfs/dbraw/zinc/47/08/08/353470808.db2.gz CGHSQMCOHXSZBW-ZIAGYGMSSA-N 2 0 297.447 -0.032 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[NH+](C)CC1 ZINC000350047993 353471027 /nfs/dbraw/zinc/47/10/27/353471027.db2.gz HLKRIPBLKZJINB-CYBMUJFWSA-N 2 0 283.420 -0.421 20 0 CBADRP C[C@H](CO)[N@@H+]1CCCN(C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000351630070 353476485 /nfs/dbraw/zinc/47/64/85/353476485.db2.gz QVCDQKZTOCZTPT-HIFRSBDPSA-N 2 0 285.432 -0.170 20 0 CBADRP CC[NH+](CC)CCS(=O)(=O)N[C@H]1CC[N@H+](C)C1 ZINC000352314915 353479979 /nfs/dbraw/zinc/47/99/79/353479979.db2.gz SLOJBEIBVLRBAL-NSHDSACASA-N 2 0 263.407 -0.048 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000352995688 353515526 /nfs/dbraw/zinc/51/55/26/353515526.db2.gz CIVCGXQFHWRIDL-OLZOCXBDSA-N 2 0 285.436 -0.128 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000353090566 353521287 /nfs/dbraw/zinc/52/12/87/353521287.db2.gz SQFQPNZRNSPUML-NWDGAFQWSA-N 2 0 271.409 -0.519 20 0 CBADRP [NH3+]C1(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000353185876 353526112 /nfs/dbraw/zinc/52/61/12/353526112.db2.gz PNUGWEAPJYQECU-LLVKDONJSA-N 2 0 253.346 -0.342 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354665136 353576166 /nfs/dbraw/zinc/57/61/66/353576166.db2.gz DZOPFNANVODZPU-NEPJUHHUSA-N 2 0 284.404 -0.266 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354669545 353577088 /nfs/dbraw/zinc/57/70/88/353577088.db2.gz IIAMQWRLEQJDOK-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354696711 353578972 /nfs/dbraw/zinc/57/89/72/353578972.db2.gz SMRFKKLUNDTWNU-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[N@H+](C)CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354710502 353579453 /nfs/dbraw/zinc/57/94/53/353579453.db2.gz OGVSWROBXIDVBR-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP C[NH+](C)CCCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354713841 353579976 /nfs/dbraw/zinc/57/99/76/353579976.db2.gz RNKDUUCGJIYCAT-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000357236225 353601476 /nfs/dbraw/zinc/60/14/76/353601476.db2.gz DUGBUKVKHUHBQN-KGLIPLIRSA-N 2 0 297.399 -0.454 20 0 CBADRP C[NH2+]CCC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000357178950 353601620 /nfs/dbraw/zinc/60/16/20/353601620.db2.gz SNHYOHDUXJSRAT-SNVBAGLBSA-N 2 0 256.350 -0.948 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000358501789 353648239 /nfs/dbraw/zinc/64/82/39/353648239.db2.gz OGXKEABBWNIDBR-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000357789000 353607091 /nfs/dbraw/zinc/60/70/91/353607091.db2.gz JDDKDJDTOJBRDI-AWEZNQCLSA-N 2 0 282.388 -0.591 20 0 CBADRP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000357904908 353613376 /nfs/dbraw/zinc/61/33/76/353613376.db2.gz BMNRUWDLBPZPKT-KGLIPLIRSA-N 2 0 297.399 -0.720 20 0 CBADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000357906559 353613863 /nfs/dbraw/zinc/61/38/63/353613863.db2.gz DNDICFBZFFXIHA-KGLIPLIRSA-N 2 0 298.431 -0.901 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)[C@]2(CCOC)CC[NH2+]C2)C1 ZINC000361732260 353664454 /nfs/dbraw/zinc/66/44/54/353664454.db2.gz GUFSVJFLNRVYTQ-AAEUAGOBSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCN(C2(C(N)=O)CCCCC2)CC1 ZINC000361730044 353664539 /nfs/dbraw/zinc/66/45/39/353664539.db2.gz VNZRSVSXIXLOBO-NSHDSACASA-N 2 0 282.388 -0.334 20 0 CBADRP COCC[C@]1(C(=O)N[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000366414885 353676272 /nfs/dbraw/zinc/67/62/72/353676272.db2.gz PNEOVQUEBYTOOI-WCQYABFASA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@H]1C[NH2+]CCO1 ZINC000366408437 353676436 /nfs/dbraw/zinc/67/64/36/353676436.db2.gz OKDIKQFGHOTNAS-GFCCVEGCSA-N 2 0 291.355 -0.582 20 0 CBADRP CN([C@H]1CCN(C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC000369346165 353688452 /nfs/dbraw/zinc/68/84/52/353688452.db2.gz WTCLTSYBKQNWHH-NSHDSACASA-N 2 0 276.406 -0.710 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000373565108 353733383 /nfs/dbraw/zinc/73/33/83/353733383.db2.gz YDSDLPDMHYBIGI-XQQFMLRXSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]CCCC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000372098946 353710810 /nfs/dbraw/zinc/71/08/10/353710810.db2.gz PEMRLXCXWRZGNF-VXGBXAGGSA-N 2 0 255.362 -0.217 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000372399635 353716211 /nfs/dbraw/zinc/71/62/11/353716211.db2.gz QQHFCXXCKJCPEO-KGLIPLIRSA-N 2 0 298.431 -0.508 20 0 CBADRP COC(=O)CNC(=O)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000372991479 353725235 /nfs/dbraw/zinc/72/52/35/353725235.db2.gz UDSJXTWGPQGXOE-LLVKDONJSA-N 2 0 271.361 -0.308 20 0 CBADRP COCC[C@]1(C(=O)N(C)[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000373028953 353726022 /nfs/dbraw/zinc/72/60/22/353726022.db2.gz LLVXCORIWGISCF-WCQYABFASA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@H]1[NH2+]CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)[C@@H]1C ZINC000375383581 353759215 /nfs/dbraw/zinc/75/92/15/353759215.db2.gz CXYBGWLAYRWMRU-OXHZDVMGSA-N 2 0 291.399 -0.068 20 0 CBADRP CC[C@@H]1CN(CCS(=O)(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000383926393 353785718 /nfs/dbraw/zinc/78/57/18/353785718.db2.gz DTUSKSKZUUMSAQ-MNOVXSKESA-N 2 0 263.407 -0.063 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000375833457 353768095 /nfs/dbraw/zinc/76/80/95/353768095.db2.gz ICYKSWDUGIZZHD-STQMWFEESA-N 2 0 268.405 -0.180 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000375832084 353768197 /nfs/dbraw/zinc/76/81/97/353768197.db2.gz BJEMDGPFRSOZEM-GRYCIOLGSA-N 2 0 255.362 -0.361 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000375833456 353768573 /nfs/dbraw/zinc/76/85/73/353768573.db2.gz ICYKSWDUGIZZHD-QWHCGFSZSA-N 2 0 268.405 -0.180 20 0 CBADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@H]1C[C@H](O)C[NH2+]1 ZINC000375953934 353769647 /nfs/dbraw/zinc/76/96/47/353769647.db2.gz LROBAQDEHGQHBX-YUTCNCBUSA-N 2 0 275.352 -0.288 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000376254760 353773493 /nfs/dbraw/zinc/77/34/93/353773493.db2.gz SFXBORAVTZPFSJ-GARJFASQSA-N 2 0 259.325 -0.477 20 0 CBADRP C[C@@H](C(=O)N1CCN(C2(C(N)=O)CCCC2)CC1)[C@H](C)[NH3+] ZINC000373798744 353736555 /nfs/dbraw/zinc/73/65/55/353736555.db2.gz FRJUGCYWLXWJPL-NEPJUHHUSA-N 2 0 296.415 -0.088 20 0 CBADRP CNC(=O)NC(=O)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374426128 353745209 /nfs/dbraw/zinc/74/52/09/353745209.db2.gz COCXBZJHSANLCZ-IJLUTSLNSA-N 2 0 298.387 -0.375 20 0 CBADRP C[C@@H](NC(=O)CN1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC000396468912 353795945 /nfs/dbraw/zinc/79/59/45/353795945.db2.gz REEIPPTWDCFSNJ-GFCCVEGCSA-N 2 0 268.405 -0.262 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@@H](C)[NH3+] ZINC000399553963 353797545 /nfs/dbraw/zinc/79/75/45/353797545.db2.gz DHOSCXWFYDIVCR-UPJWGTAASA-N 2 0 270.421 -0.032 20 0 CBADRP O=C(CC[NH+]1CCC(CCO)CC1)N1CC[NH2+]CC1 ZINC000401015704 353801577 /nfs/dbraw/zinc/80/15/77/353801577.db2.gz IRRJGKXXEKJNBM-UHFFFAOYSA-N 2 0 269.389 -0.097 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000388254361 353789908 /nfs/dbraw/zinc/78/99/08/353789908.db2.gz JDTLRCKFMOQHOB-ZDUSSCGKSA-N 2 0 273.421 -0.313 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN(C)C[C@@H]1CCC[NH+]1C ZINC000388891488 353790443 /nfs/dbraw/zinc/79/04/43/353790443.db2.gz FWFWMVPSIDCIQY-UONOGXRCSA-N 2 0 273.421 -0.049 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418418316 353996876 /nfs/dbraw/zinc/99/68/76/353996876.db2.gz WEPLRJVFXXRALB-SDDRHHMPSA-N 2 0 270.377 -0.209 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH2+]CC2)C1 ZINC000416865741 353973448 /nfs/dbraw/zinc/97/34/48/353973448.db2.gz JQPRRRKZMWNPIF-CYBMUJFWSA-N 2 0 284.404 -0.042 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)CC[NH3+])C1 ZINC000416861438 353973903 /nfs/dbraw/zinc/97/39/03/353973903.db2.gz DUNUJDWVDHDZAR-LBPRGKRZSA-N 2 0 272.393 -0.057 20 0 CBADRP C[C@@H](CNC(=O)NCCN1CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000417154779 353976527 /nfs/dbraw/zinc/97/65/27/353976527.db2.gz KYERQOHXOWKGMA-AWEZNQCLSA-N 2 0 297.447 -0.077 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417442908 353977558 /nfs/dbraw/zinc/97/75/58/353977558.db2.gz WONWVULAMULHEQ-QWHCGFSZSA-N 2 0 284.404 -0.185 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000417442174 353977626 /nfs/dbraw/zinc/97/76/26/353977626.db2.gz SPKYERWKECOAFD-RYUDHWBXSA-N 2 0 272.393 -0.138 20 0 CBADRP CC[N@H+](CCNC(=O)NC[C@@H]1C[NH2+]CCN1C)C(C)C ZINC000417464299 353977973 /nfs/dbraw/zinc/97/79/73/353977973.db2.gz QENPUDMOFPKKPN-ZDUSSCGKSA-N 2 0 285.436 -0.081 20 0 CBADRP CC[N@H+](CCNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)C(C)C ZINC000417463875 353978059 /nfs/dbraw/zinc/97/80/59/353978059.db2.gz PZRIGLHUQPWZRR-RYUDHWBXSA-N 2 0 272.393 -0.309 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)[NH3+])[C@H](C)C1 ZINC000418423181 353997279 /nfs/dbraw/zinc/99/72/79/353997279.db2.gz FKHOWHZPXXWUMB-MNOVXSKESA-N 2 0 272.393 -0.180 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)NCCN1CC[NH2+]CC1 ZINC000417606667 353980039 /nfs/dbraw/zinc/98/00/39/353980039.db2.gz DXWAWBJBKFGZHL-UHFFFAOYSA-N 2 0 285.436 -0.077 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418402940 353997286 /nfs/dbraw/zinc/99/72/86/353997286.db2.gz HQRUFIDZGVLWSO-JHJVBQTASA-N 2 0 283.420 -0.293 20 0 CBADRP C[C@@H]1CN(C(=O)N[C@H](C[NH3+])C2CC2)C[C@H](C)[N@H+]1CCO ZINC000418414211 353997303 /nfs/dbraw/zinc/99/73/03/353997303.db2.gz ZIUREXMVBSNFSV-NTZNESFSSA-N 2 0 284.404 -0.180 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)NCC(C)(C)[NH3+] ZINC000418410491 353997313 /nfs/dbraw/zinc/99/73/13/353997313.db2.gz COLKMLDXFLWISK-UHFFFAOYSA-N 2 0 260.382 -0.057 20 0 CBADRP [NH3+]C[C@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000417827038 353983886 /nfs/dbraw/zinc/98/38/86/353983886.db2.gz FCAYQBWESHSRML-STQMWFEESA-N 2 0 296.415 -0.122 20 0 CBADRP [NH3+]C[C@@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000417827037 353984009 /nfs/dbraw/zinc/98/40/09/353984009.db2.gz FCAYQBWESHSRML-QWHCGFSZSA-N 2 0 296.415 -0.122 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417837068 353984020 /nfs/dbraw/zinc/98/40/20/353984020.db2.gz PMHZNIATJFDRSW-YPMHNXCESA-N 2 0 284.404 -0.280 20 0 CBADRP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[NH2+]CCO2)CCC[N@@H+]1C ZINC000417993249 353985262 /nfs/dbraw/zinc/98/52/62/353985262.db2.gz AFOBPBGXJCBEKI-IJLUTSLNSA-N 2 0 270.377 -0.243 20 0 CBADRP C[C@H]1[C@@H](NC(=O)NCCN2CC[NH2+]CC2)CCC[N@@H+]1C ZINC000418003881 353986114 /nfs/dbraw/zinc/98/61/14/353986114.db2.gz NLZLGGOJOBLHDO-STQMWFEESA-N 2 0 283.420 -0.327 20 0 CBADRP C[C@H]1[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC[N@@H+]1C ZINC000418002227 353986384 /nfs/dbraw/zinc/98/63/84/353986384.db2.gz MCMWVOVQRZRUAQ-HHHUOAJASA-N 2 0 252.362 -0.014 20 0 CBADRP C[C@H]1[C@H](NC(=O)NCCN2CC[NH2+]CC2)CCC[N@@H+]1C ZINC000418003880 353986733 /nfs/dbraw/zinc/98/67/33/353986733.db2.gz NLZLGGOJOBLHDO-QWHCGFSZSA-N 2 0 283.420 -0.327 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)NCCOCC[NH+](C)C ZINC000418063618 353987224 /nfs/dbraw/zinc/98/72/24/353987224.db2.gz HEXVRWKVXZRFPI-LLVKDONJSA-N 2 0 260.382 -0.153 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418072310 353987272 /nfs/dbraw/zinc/98/72/72/353987272.db2.gz VCOSOHNQMUMMCO-SNVBAGLBSA-N 2 0 294.346 -0.139 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418072309 353987840 /nfs/dbraw/zinc/98/78/40/353987840.db2.gz VCOSOHNQMUMMCO-JTQLQIEISA-N 2 0 294.346 -0.139 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCCN1CC[NH2+]CC1 ZINC000418286189 353989938 /nfs/dbraw/zinc/98/99/38/353989938.db2.gz HHZYZRYYYRJMJV-QWHCGFSZSA-N 2 0 283.420 -0.327 20 0 CBADRP [NH3+]CCNC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418292897 353990916 /nfs/dbraw/zinc/99/09/16/353990916.db2.gz DVFRXZPMJPHVKI-UONOGXRCSA-N 2 0 292.383 -0.120 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)NCCN1CC[NH2+]CC1 ZINC000418291224 353991340 /nfs/dbraw/zinc/99/13/40/353991340.db2.gz AVCTTXOKDRFXHH-LBPRGKRZSA-N 2 0 271.409 -0.292 20 0 CBADRP [NH3+]CCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000418298585 353991825 /nfs/dbraw/zinc/99/18/25/353991825.db2.gz QERWFTHVCPIFOU-UHFFFAOYSA-N 2 0 285.392 -0.764 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000418308519 353992887 /nfs/dbraw/zinc/99/28/87/353992887.db2.gz UNRGMTOEWQVPIN-HDJSIYSDSA-N 2 0 297.447 -0.044 20 0 CBADRP CC[NH2+]CCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418320210 353992911 /nfs/dbraw/zinc/99/29/11/353992911.db2.gz UCPHPRUUBZRPJE-QMMMGPOBSA-N 2 0 250.293 -0.108 20 0 CBADRP CC[NH2+]CCNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000418320211 353992997 /nfs/dbraw/zinc/99/29/97/353992997.db2.gz UCRMONADWUVQNS-CYBMUJFWSA-N 2 0 286.420 -0.012 20 0 CBADRP COc1cc[nH+]c(N2CCN(C(=O)NCC[NH3+])CC2)c1 ZINC000418309456 353993207 /nfs/dbraw/zinc/99/32/07/353993207.db2.gz WLHNSLZBEDMFKR-UHFFFAOYSA-N 2 0 279.344 -0.120 20 0 CBADRP CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000418343405 353993848 /nfs/dbraw/zinc/99/38/48/353993848.db2.gz JMSAGRXFRKBYMX-NSHDSACASA-N 2 0 270.377 -0.554 20 0 CBADRP CC[NH2+]CCNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000418321242 353993899 /nfs/dbraw/zinc/99/38/99/353993899.db2.gz YCXAVPCSYROYQY-LBPRGKRZSA-N 2 0 272.393 -0.258 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418452055 353997980 /nfs/dbraw/zinc/99/79/80/353997980.db2.gz WUNXAJBQSYPASW-NWDGAFQWSA-N 2 0 271.409 -0.293 20 0 CBADRP O=C(NC[C@H]1CCCC[N@H+]1CCO)N[C@@H]1CCC[NH2+]C1 ZINC000418379890 353995611 /nfs/dbraw/zinc/99/56/11/353995611.db2.gz JJTNCANVQJSSME-CHWSQXEVSA-N 2 0 284.404 -0.116 20 0 CBADRP O=C(NCCNc1cc[nH+]cc1)N[C@H]1CCC[NH2+]C1 ZINC000418387306 353995649 /nfs/dbraw/zinc/99/56/49/353995649.db2.gz SYSODURJFNCDIL-LBPRGKRZSA-N 2 0 263.345 -0.033 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000418378008 353995733 /nfs/dbraw/zinc/99/57/33/353995733.db2.gz ZXZAAIVLIADBMZ-YNEHKIRRSA-N 2 0 286.420 -0.062 20 0 CBADRP O=C(NC[C@H]1CCCC[N@H+]1CCO)N[C@H]1CCC[NH2+]C1 ZINC000418379893 353995823 /nfs/dbraw/zinc/99/58/23/353995823.db2.gz JJTNCANVQJSSME-QWHCGFSZSA-N 2 0 284.404 -0.116 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418418317 353996463 /nfs/dbraw/zinc/99/64/63/353996463.db2.gz WEPLRJVFXXRALB-SRVKXCTJSA-N 2 0 270.377 -0.209 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(CCC[NH3+])CC1 ZINC000414691226 353963395 /nfs/dbraw/zinc/96/33/95/353963395.db2.gz JISJMQXHTDJHLB-UHFFFAOYSA-N 2 0 256.394 -0.179 20 0 CBADRP C[C@@H]1C[C@H](C[N@H+](C)CC(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC000414651140 353963483 /nfs/dbraw/zinc/96/34/83/353963483.db2.gz FFELTSQBZFVGDT-CHWSQXEVSA-N 3 0 268.405 -0.262 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000419230233 354039514 /nfs/dbraw/zinc/03/95/14/354039514.db2.gz YJGLBFSVHDTDFY-ZDUSSCGKSA-N 2 0 294.399 -0.425 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000419230232 354039710 /nfs/dbraw/zinc/03/97/10/354039710.db2.gz YJGLBFSVHDTDFY-CYBMUJFWSA-N 2 0 294.399 -0.425 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418442356 353998108 /nfs/dbraw/zinc/99/81/08/353998108.db2.gz DPKFQJRGOXSREK-UONOGXRCSA-N 2 0 291.399 -0.111 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418452053 353998184 /nfs/dbraw/zinc/99/81/84/353998184.db2.gz WUNXAJBQSYPASW-NEPJUHHUSA-N 2 0 271.409 -0.293 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000418470016 353998360 /nfs/dbraw/zinc/99/83/60/353998360.db2.gz QFZSHVYKFSADPJ-YPMHNXCESA-N 2 0 272.393 -0.130 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000418477221 353999421 /nfs/dbraw/zinc/99/94/21/353999421.db2.gz UTCTZIKPGKHJBN-UTUOFQBUSA-N 2 0 272.393 -0.322 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000418490082 353999473 /nfs/dbraw/zinc/99/94/73/353999473.db2.gz MROUMBKYBNQVKL-STQMWFEESA-N 2 0 286.420 -0.027 20 0 CBADRP COCC[NH2+]CCNC(=O)NCCNc1cc[nH+]cc1 ZINC000418508818 354000602 /nfs/dbraw/zinc/00/06/02/354000602.db2.gz NGWHRIQFPXZQCB-UHFFFAOYSA-N 2 0 281.360 -0.549 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000418505652 354000626 /nfs/dbraw/zinc/00/06/26/354000626.db2.gz FVSTYTCSTDHNMG-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000418513670 354001353 /nfs/dbraw/zinc/00/13/53/354001353.db2.gz VFEATGTXZFDSFP-VXGBXAGGSA-N 2 0 272.393 -0.009 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000418514536 354001518 /nfs/dbraw/zinc/00/15/18/354001518.db2.gz ARJSOQZLYBWCDG-RYUDHWBXSA-N 2 0 272.393 -0.130 20 0 CBADRP COCC[NH2+]CCNC(=O)N(C)CC[NH+]1CCCC1 ZINC000418550221 354002376 /nfs/dbraw/zinc/00/23/76/354002376.db2.gz LISWDLLUKSJIJX-UHFFFAOYSA-N 2 0 272.393 -0.040 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000418562886 354002936 /nfs/dbraw/zinc/00/29/36/354002936.db2.gz HABXQVJNNISJKM-LBPRGKRZSA-N 2 0 299.419 -0.471 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000418732227 354006186 /nfs/dbraw/zinc/00/61/86/354006186.db2.gz QNMVVBPTVSQDLR-NWDGAFQWSA-N 2 0 272.393 -0.130 20 0 CBADRP C[C@@H]1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)[C@H](C[NH3+])C1 ZINC000418769573 354007972 /nfs/dbraw/zinc/00/79/72/354007972.db2.gz PXPYXOHESCUDPK-WOPDTQHZSA-N 2 0 270.377 -0.256 20 0 CBADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418772203 354008691 /nfs/dbraw/zinc/00/86/91/354008691.db2.gz SKRBJAXQBULPHD-STQMWFEESA-N 2 0 284.404 -0.044 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418828946 354010665 /nfs/dbraw/zinc/01/06/65/354010665.db2.gz IKWAYCARFROOGL-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418835031 354011457 /nfs/dbraw/zinc/01/14/57/354011457.db2.gz NCHCMGDJXICZMS-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418838990 354011706 /nfs/dbraw/zinc/01/17/06/354011706.db2.gz WFTSAIQFDKXSCC-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000418846840 354012524 /nfs/dbraw/zinc/01/25/24/354012524.db2.gz ZGBAPZNBLUCGBS-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[NH3+])Cc1ccccc1 ZINC000418850395 354012741 /nfs/dbraw/zinc/01/27/41/354012741.db2.gz NUKVAJBFOXTVFG-ZDUSSCGKSA-N 2 0 292.383 -0.650 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NCCC[NH3+])Cc1ccccc1 ZINC000418943195 354016317 /nfs/dbraw/zinc/01/63/17/354016317.db2.gz MTEYUYFDZVOTEE-UHFFFAOYSA-N 2 0 292.383 -0.300 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000418943933 354016568 /nfs/dbraw/zinc/01/65/68/354016568.db2.gz CISKPIMCISBIKW-MROQNXINSA-N 2 0 296.415 -0.206 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418955463 354017275 /nfs/dbraw/zinc/01/72/75/354017275.db2.gz YFHYKWBURCOJAQ-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP O=C(NCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418991978 354020887 /nfs/dbraw/zinc/02/08/87/354020887.db2.gz FJTMWQDMJJQFRW-ZDUSSCGKSA-N 2 0 296.415 -0.153 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000418993090 354021036 /nfs/dbraw/zinc/02/10/36/354021036.db2.gz GOWXCLAZPQQMIP-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP CC1CC[NH+](CCCNC(=O)C(=O)NCC[NH3+])CC1 ZINC000419010447 354023037 /nfs/dbraw/zinc/02/30/37/354023037.db2.gz YPCVBTYADSAWPX-UHFFFAOYSA-N 2 0 270.377 -0.701 20 0 CBADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NCC[NH3+])C1 ZINC000419027966 354025249 /nfs/dbraw/zinc/02/52/49/354025249.db2.gz PLEBCMREQYVFOU-TXEJJXNPSA-N 2 0 298.431 -0.066 20 0 CBADRP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000419031866 354025388 /nfs/dbraw/zinc/02/53/88/354025388.db2.gz UYYDTBMKUDVRJV-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)C[C@H]1C[NH3+] ZINC000419111745 354028227 /nfs/dbraw/zinc/02/82/27/354028227.db2.gz UNLUOZBAQYQGPN-VXGBXAGGSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419109432 354028295 /nfs/dbraw/zinc/02/82/95/354028295.db2.gz RHYINENKLYATCI-ZYHUDNBSSA-N 2 0 282.388 -0.689 20 0 CBADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC[NH3+])CC(C)C ZINC000419126954 354029457 /nfs/dbraw/zinc/02/94/57/354029457.db2.gz OPOINORRJPDGHO-GFCCVEGCSA-N 2 0 286.420 -0.066 20 0 CBADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NCCC[NH3+] ZINC000419120466 354029685 /nfs/dbraw/zinc/02/96/85/354029685.db2.gz LIFCMRHAYHSFLY-GFCCVEGCSA-N 2 0 284.404 -0.168 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000419135839 354030292 /nfs/dbraw/zinc/03/02/92/354030292.db2.gz NURFGLWWUMUJQY-NSHDSACASA-N 2 0 286.420 -0.114 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419136210 354030681 /nfs/dbraw/zinc/03/06/81/354030681.db2.gz MUXURSGKJSPKEN-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@H]1[NH3+] ZINC000419139658 354031508 /nfs/dbraw/zinc/03/15/08/354031508.db2.gz SMZDFVKFSFCALK-FVCCEPFGSA-N 2 0 296.415 -0.219 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419144669 354031632 /nfs/dbraw/zinc/03/16/32/354031632.db2.gz XYILSMYSCBCGGP-RWMBFGLXSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000419144585 354031751 /nfs/dbraw/zinc/03/17/51/354031751.db2.gz FVCUFBFHFUATRJ-STQMWFEESA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000419150241 354032262 /nfs/dbraw/zinc/03/22/62/354032262.db2.gz MCMAHAVNVQWSEX-WOPDTQHZSA-N 2 0 284.404 -0.348 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000419152061 354033281 /nfs/dbraw/zinc/03/32/81/354033281.db2.gz NYEFNPPCRNOVBG-IJLUTSLNSA-N 2 0 284.404 -0.362 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000419159107 354034411 /nfs/dbraw/zinc/03/44/11/354034411.db2.gz YTEBWDVZQKJFEF-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000419166225 354034815 /nfs/dbraw/zinc/03/48/15/354034815.db2.gz HIKPAVICZZERON-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000419172456 354035443 /nfs/dbraw/zinc/03/54/43/354035443.db2.gz QZVIXDQTAIWGHR-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000419226107 354038943 /nfs/dbraw/zinc/03/89/43/354038943.db2.gz QELDOLDJXUOHQM-UHFFFAOYSA-N 2 0 296.415 -0.178 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000419565214 354063038 /nfs/dbraw/zinc/06/30/38/354063038.db2.gz YMRBULDTSOWGND-OUAUKWLOSA-N 2 0 270.377 -0.691 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000419566011 354063134 /nfs/dbraw/zinc/06/31/34/354063134.db2.gz ZJGQLTGGAMJWNI-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419578552 354064119 /nfs/dbraw/zinc/06/41/19/354064119.db2.gz FCGZJWOQENOMPR-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000419662950 354068229 /nfs/dbraw/zinc/06/82/29/354068229.db2.gz ISUYTUNDIAVHOJ-NSHDSACASA-N 2 0 284.404 -0.312 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CCC[NH2+]CC1)C1CCCC1 ZINC000419698116 354069796 /nfs/dbraw/zinc/06/97/96/354069796.db2.gz RYXSZHRRCRIRDJ-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419697462 354070274 /nfs/dbraw/zinc/07/02/74/354070274.db2.gz QRVYOISSEHWVQX-RYUDHWBXSA-N 2 0 294.399 -0.402 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419693455 354070419 /nfs/dbraw/zinc/07/04/19/354070419.db2.gz IPKXCMPTEJHVFB-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419690805 354070573 /nfs/dbraw/zinc/07/05/73/354070573.db2.gz CROJIOGHAQVGSB-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000419698562 354070939 /nfs/dbraw/zinc/07/09/39/354070939.db2.gz PUIBVYIDUDFUJA-GFCCVEGCSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H](CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000419716129 354071262 /nfs/dbraw/zinc/07/12/62/354071262.db2.gz QIGMGOVZJHUTSY-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H](CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[NH+]1CCCCC1 ZINC000419716762 354071453 /nfs/dbraw/zinc/07/14/53/354071453.db2.gz SAXTXIRHNPNVEI-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NCC1([NH3+])CCC1)C1CCCC1 ZINC000419700444 354071556 /nfs/dbraw/zinc/07/15/56/354071556.db2.gz XMCQVVUIIPDVAK-UHFFFAOYSA-N 2 0 296.415 -0.025 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000419718385 354072208 /nfs/dbraw/zinc/07/22/08/354072208.db2.gz ATVZDNUHNFQGIB-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419736724 354073849 /nfs/dbraw/zinc/07/38/49/354073849.db2.gz RTVGYWDJUJKIES-STQMWFEESA-N 2 0 296.415 -0.488 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419732367 354073879 /nfs/dbraw/zinc/07/38/79/354073879.db2.gz MJFJBCJZSNAEIO-LLVKDONJSA-N 2 0 270.377 -0.702 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419739234 354073924 /nfs/dbraw/zinc/07/39/24/354073924.db2.gz VWROHAGBCYJNLL-TXEJJXNPSA-N 2 0 282.388 -0.878 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419733564 354073954 /nfs/dbraw/zinc/07/39/54/354073954.db2.gz NYJKBXIBAHIBSD-UHFFFAOYSA-N 2 0 258.366 -0.702 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000419733520 354074037 /nfs/dbraw/zinc/07/40/37/354074037.db2.gz NUOMBJLSQXIFKF-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419758487 354074728 /nfs/dbraw/zinc/07/47/28/354074728.db2.gz FEWHQSINKISVKR-UHFFFAOYSA-N 2 0 272.393 -0.312 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419756694 354075187 /nfs/dbraw/zinc/07/51/87/354075187.db2.gz BFZTYZXUSYDRHX-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419763144 354075364 /nfs/dbraw/zinc/07/53/64/354075364.db2.gz NELBBMXMNPCDEY-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419763136 354075554 /nfs/dbraw/zinc/07/55/54/354075554.db2.gz NEHFBOLTFWCFTH-GFCCVEGCSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419770349 354076439 /nfs/dbraw/zinc/07/64/39/354076439.db2.gz DNQTZECPGNWPTE-WDEREUQCSA-N 2 0 272.393 -0.314 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419772882 354077169 /nfs/dbraw/zinc/07/71/69/354077169.db2.gz ZJGQEVWZBGESAM-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419780225 354077666 /nfs/dbraw/zinc/07/76/66/354077666.db2.gz MNTNJKIAFDALTD-GHMZBOCLSA-N 2 0 272.393 -0.362 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCCC[NH2+]C ZINC000419785284 354077782 /nfs/dbraw/zinc/07/77/82/354077782.db2.gz SLAXMGHPNVQICZ-LLVKDONJSA-N 2 0 272.393 -0.441 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419787936 354078232 /nfs/dbraw/zinc/07/82/32/354078232.db2.gz YMLKBVRCNDDHPQ-VHSXEESVSA-N 2 0 258.366 -0.704 20 0 CBADRP CC(C)[NH+](CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C(C)C ZINC000419796094 354078615 /nfs/dbraw/zinc/07/86/15/354078615.db2.gz MRGBHRHJJUGQGB-GFCCVEGCSA-N 2 0 284.404 -0.301 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[NH3+])c1ccccc1 ZINC000419794568 354078632 /nfs/dbraw/zinc/07/86/32/354078632.db2.gz GVTJRXPOSWEPAC-LBPRGKRZSA-N 2 0 278.356 -0.520 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000419797886 354078664 /nfs/dbraw/zinc/07/86/64/354078664.db2.gz VNAVCBGNXUYILM-UHFFFAOYSA-N 2 0 286.420 -0.053 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[NH3+])c1cccc(F)c1 ZINC000419820886 354080076 /nfs/dbraw/zinc/08/00/76/354080076.db2.gz SQENSZMDSGJOND-LBPRGKRZSA-N 2 0 296.346 -0.381 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000419817909 354080092 /nfs/dbraw/zinc/08/00/92/354080092.db2.gz RUIFCHFJKLHNKM-CYBMUJFWSA-N 2 0 292.383 -0.177 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])C[NH+]1CCCC1 ZINC000419823710 354080473 /nfs/dbraw/zinc/08/04/73/354080473.db2.gz MGAQZWGWTJOOGZ-NWDGAFQWSA-N 2 0 284.404 -0.455 20 0 CBADRP [NH3+]CCCCNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000419830795 354081316 /nfs/dbraw/zinc/08/13/16/354081316.db2.gz KRFUCLACWAHPHP-UHFFFAOYSA-N 2 0 296.415 -0.072 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000419830421 354081440 /nfs/dbraw/zinc/08/14/40/354081440.db2.gz QGUIEIMWNFQCHU-RWMBFGLXSA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000419831931 354081507 /nfs/dbraw/zinc/08/15/07/354081507.db2.gz RGJPZZHNKAGQDM-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419836371 354082430 /nfs/dbraw/zinc/08/24/30/354082430.db2.gz BMNXUVMQRHSYGL-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC[NH2+]1 ZINC000419836263 354082472 /nfs/dbraw/zinc/08/24/72/354082472.db2.gz VMSPQGRKRBVGKP-RWMBFGLXSA-N 2 0 294.399 -0.450 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCCC[NH3+])C(C)C ZINC000419841481 354083110 /nfs/dbraw/zinc/08/31/10/354083110.db2.gz URBFXYZJNDWBCZ-UHFFFAOYSA-N 2 0 258.366 -0.702 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419839380 354083316 /nfs/dbraw/zinc/08/33/16/354083316.db2.gz HGXZCIOAUJPUAK-NSHDSACASA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000419847749 354084673 /nfs/dbraw/zinc/08/46/73/354084673.db2.gz SEJNFHLDOPFSDE-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419864600 354086442 /nfs/dbraw/zinc/08/64/42/354086442.db2.gz AFUIVLAFQOKPOL-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419860079 354086640 /nfs/dbraw/zinc/08/66/40/354086640.db2.gz KKCAWELPLWMTNB-ZDUSSCGKSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419860412 354086656 /nfs/dbraw/zinc/08/66/56/354086656.db2.gz KRPYOZMWDMVQRC-RYUDHWBXSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000419881362 354088819 /nfs/dbraw/zinc/08/88/19/354088819.db2.gz WDZPAEURSVEUNH-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000419287260 354044341 /nfs/dbraw/zinc/04/43/41/354044341.db2.gz PQVRAXUCCYMKRJ-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419286914 354044560 /nfs/dbraw/zinc/04/45/60/354044560.db2.gz PAAQGPBTHOMGEE-LLVKDONJSA-N 2 0 272.393 -0.312 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000419287770 354044890 /nfs/dbraw/zinc/04/48/90/354044890.db2.gz QMOUAAWOQUODME-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C[N@@H+]1C1CC1 ZINC000419322080 354045501 /nfs/dbraw/zinc/04/55/01/354045501.db2.gz RULDIKWFSRJBCF-SUZMYJTESA-N 2 0 294.399 -0.419 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000419316850 354045843 /nfs/dbraw/zinc/04/58/43/354045843.db2.gz LXEHMBMZEJJGSG-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000419315457 354045976 /nfs/dbraw/zinc/04/59/76/354045976.db2.gz JWAOFWJGHLCLEH-TUAOUCFPSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000419316098 354046152 /nfs/dbraw/zinc/04/61/52/354046152.db2.gz KTBXANSCTJLDIR-MNOVXSKESA-N 2 0 280.372 -0.840 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419311119 354046265 /nfs/dbraw/zinc/04/62/65/354046265.db2.gz BCXSUIHXDHHMMA-OASPWFOLSA-N 2 0 294.399 -0.561 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000419341350 354046799 /nfs/dbraw/zinc/04/67/99/354046799.db2.gz YLVLSVPHWYSYLU-DGCLKSJQSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000419322896 354047406 /nfs/dbraw/zinc/04/74/06/354047406.db2.gz SYTYYAOASWUPIH-GRYCIOLGSA-N 2 0 294.399 -0.404 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419407255 354050999 /nfs/dbraw/zinc/05/09/99/354050999.db2.gz JYGMARUWOYNXPY-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419402691 354051071 /nfs/dbraw/zinc/05/10/71/354051071.db2.gz CVPGDRACMIKZSP-STQMWFEESA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000419403017 354051265 /nfs/dbraw/zinc/05/12/65/354051265.db2.gz CZICLSGIMZUWIH-CYBMUJFWSA-N 2 0 298.431 -0.194 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000419402631 354051349 /nfs/dbraw/zinc/05/13/49/354051349.db2.gz COUUKCLBNNUMLE-NWDGAFQWSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000419403013 354051400 /nfs/dbraw/zinc/05/14/00/354051400.db2.gz CZCLNDPKKYNWTD-AAEUAGOBSA-N 2 0 296.415 -0.312 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419405970 354051582 /nfs/dbraw/zinc/05/15/82/354051582.db2.gz IGNOZBZRZHWRDK-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419408447 354052232 /nfs/dbraw/zinc/05/22/32/354052232.db2.gz LOMFVMBRSVINMG-WCQYABFASA-N 2 0 296.415 -0.312 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000419411022 354052571 /nfs/dbraw/zinc/05/25/71/354052571.db2.gz PPIVLCZEIDDUID-UHFFFAOYSA-N 2 0 270.377 -0.830 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000419408448 354052672 /nfs/dbraw/zinc/05/26/72/354052672.db2.gz LOMFVMBRSVINMG-YPMHNXCESA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000419414708 354052706 /nfs/dbraw/zinc/05/27/06/354052706.db2.gz UHVHOPVOHVVDJF-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)CC[NH3+])C1 ZINC000419410488 354052769 /nfs/dbraw/zinc/05/27/69/354052769.db2.gz OMPTZKXBPAXVOX-LLVKDONJSA-N 2 0 270.377 -0.748 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419417645 354053012 /nfs/dbraw/zinc/05/30/12/354053012.db2.gz XKDQVIPLMSBREC-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419417177 354053792 /nfs/dbraw/zinc/05/37/92/354053792.db2.gz WZGYEXWAIDQEFB-QWHCGFSZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000419431646 354054711 /nfs/dbraw/zinc/05/47/11/354054711.db2.gz XMQCQOMMTOWXHV-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NCC[NH3+])C1 ZINC000419474094 354055887 /nfs/dbraw/zinc/05/58/87/354055887.db2.gz BMMMIESPCVYNIQ-STQMWFEESA-N 2 0 298.431 -0.064 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419509199 354056465 /nfs/dbraw/zinc/05/64/65/354056465.db2.gz DODHTFQDFQOLKK-GHMZBOCLSA-N 2 0 272.393 -0.456 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCC1([NH3+])CCC1)C1CC1 ZINC000419521501 354057770 /nfs/dbraw/zinc/05/77/70/354057770.db2.gz JZMYRQWBHYMQTQ-UHFFFAOYSA-N 2 0 282.388 -0.416 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)C1CC1 ZINC000419530288 354058441 /nfs/dbraw/zinc/05/84/41/354058441.db2.gz YUKSZGWZPOYHBW-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419526951 354058669 /nfs/dbraw/zinc/05/86/69/354058669.db2.gz ULWZHARJWQWGHU-QWRGUYRKSA-N 2 0 272.393 -0.362 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCC[NH2+]C ZINC000419525211 354058729 /nfs/dbraw/zinc/05/87/29/354058729.db2.gz RCOLJTGNDWEGJG-NSHDSACASA-N 2 0 272.393 -0.441 20 0 CBADRP C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)C(C)(C)C[NH+](C)C ZINC000419539191 354059377 /nfs/dbraw/zinc/05/93/77/354059377.db2.gz FZACSLMGSHQCES-GRYCIOLGSA-N 2 0 298.431 -0.116 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000419530771 354059492 /nfs/dbraw/zinc/05/94/92/354059492.db2.gz ZKLOVVVWCYSKGP-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000419530773 354059631 /nfs/dbraw/zinc/05/96/31/354059631.db2.gz ZKLOVVVWCYSKGP-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)CC[NH2+]1 ZINC000419544340 354060032 /nfs/dbraw/zinc/06/00/32/354060032.db2.gz HLCGVNRNEZOEBJ-UTUOFQBUSA-N 2 0 282.388 -0.594 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000419543213 354060360 /nfs/dbraw/zinc/06/03/60/354060360.db2.gz GAVMAUSIXHUXIL-IJLUTSLNSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)C(C)(C)C[NH+](C)C ZINC000419550622 354060929 /nfs/dbraw/zinc/06/09/29/354060929.db2.gz VCBXMRJFKZINKR-QWRGUYRKSA-N 2 0 284.404 -0.362 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000419561051 354061136 /nfs/dbraw/zinc/06/11/36/354061136.db2.gz RWHXITCQIKSEQM-IJLUTSLNSA-N 2 0 282.388 -0.594 20 0 CBADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)C[C@H]1CCCCO1 ZINC000420462607 354129808 /nfs/dbraw/zinc/12/98/08/354129808.db2.gz VRBDLKCDXLYRJQ-GFCCVEGCSA-N 2 0 293.433 -0.115 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N(CC)CCC[NH+](C)C ZINC000419885537 354089853 /nfs/dbraw/zinc/08/98/53/354089853.db2.gz HLBXDBFSHNCWQT-UHFFFAOYSA-N 2 0 272.393 -0.488 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000419887819 354089943 /nfs/dbraw/zinc/08/99/43/354089943.db2.gz JGRCABHAZQPNCZ-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419896690 354091004 /nfs/dbraw/zinc/09/10/04/354091004.db2.gz UYVAEMUGGFESTA-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419900894 354091750 /nfs/dbraw/zinc/09/17/50/354091750.db2.gz RZQVBGGCDNWWKT-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000419911221 354093428 /nfs/dbraw/zinc/09/34/28/354093428.db2.gz SFILDZAACKCDKN-UHFFFAOYSA-N 2 0 258.366 -0.878 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000419912273 354093658 /nfs/dbraw/zinc/09/36/58/354093658.db2.gz WDCKDHHPUDHLBL-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C)C[NH3+])C(C)C ZINC000419937679 354094370 /nfs/dbraw/zinc/09/43/70/354094370.db2.gz GMAQPQKZKFETAB-NSHDSACASA-N 2 0 272.393 -0.456 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000419961049 354097520 /nfs/dbraw/zinc/09/75/20/354097520.db2.gz SWNQKVUGBKXCLP-JHJVBQTASA-N 2 0 298.431 -0.066 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH2+]C)C1 ZINC000419981309 354098987 /nfs/dbraw/zinc/09/89/87/354098987.db2.gz RXQCJPIFDCYUSO-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH2+]C)C1 ZINC000419981310 354099353 /nfs/dbraw/zinc/09/93/53/354099353.db2.gz RXQCJPIFDCYUSO-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000420034776 354104114 /nfs/dbraw/zinc/10/41/14/354104114.db2.gz JPJYHUGPNAQKCR-QWHCGFSZSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)([NH3+])CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000420073836 354107046 /nfs/dbraw/zinc/10/70/46/354107046.db2.gz GUTPIYUFCQYMBO-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000420108594 354109474 /nfs/dbraw/zinc/10/94/74/354109474.db2.gz CRDTZNZHWKEUOA-YPMHNXCESA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000420124930 354110253 /nfs/dbraw/zinc/11/02/53/354110253.db2.gz SIWKCZYDTUFKTK-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000420144330 354111789 /nfs/dbraw/zinc/11/17/89/354111789.db2.gz MWHFSDJWOWZNTH-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@H+](C)CC(C)(C)C[NH3+] ZINC000420290311 354121853 /nfs/dbraw/zinc/12/18/53/354121853.db2.gz LUVKXVWQVPKOCP-UHFFFAOYSA-N 2 0 273.377 -0.075 20 0 CBADRP CC(C)NC(=O)C(=O)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420298679 354121890 /nfs/dbraw/zinc/12/18/90/354121890.db2.gz FQUVXGSDRYMITG-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420328184 354122289 /nfs/dbraw/zinc/12/22/89/354122289.db2.gz DYFNFGPZXPDRKK-BETUJISGSA-N 2 0 297.399 -0.061 20 0 CBADRP O=C(CC[N@@H+]1CCOC[C@@H]1C1CC1)N1CC[NH2+]CC1 ZINC000420356181 354125013 /nfs/dbraw/zinc/12/50/13/354125013.db2.gz FZKWAHMRRSTGJR-CYBMUJFWSA-N 2 0 267.373 -0.081 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000423233866 354165458 /nfs/dbraw/zinc/16/54/58/354165458.db2.gz KPSCQFJNUFAYIW-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)C[C@H](C)[NH2+]1 ZINC000423221387 354165654 /nfs/dbraw/zinc/16/56/54/354165654.db2.gz ZSHVZUCSJCGKQE-BETUJISGSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423247960 354166662 /nfs/dbraw/zinc/16/66/62/354166662.db2.gz QXQIBZDMTUUPIA-VXGBXAGGSA-N 2 0 282.388 -0.511 20 0 CBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423301819 354168023 /nfs/dbraw/zinc/16/80/23/354168023.db2.gz GOUAGKFXYNYNJP-UHFFFAOYSA-N 2 0 282.388 -0.638 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@H+](C)C1CCCC1 ZINC000423373536 354171999 /nfs/dbraw/zinc/17/19/99/354171999.db2.gz HFSJMFAADGPXRH-NSHDSACASA-N 2 0 271.361 -0.133 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000423380400 354173215 /nfs/dbraw/zinc/17/32/15/354173215.db2.gz YREPTYHVGDDRIY-UHFFFAOYSA-N 2 0 296.371 -0.413 20 0 CBADRP CC[C@H]1CN(C(=O)C2(C)C[NH2+]C2)CC[N@@H+]1C[C@H](C)O ZINC000423379208 354173865 /nfs/dbraw/zinc/17/38/65/354173865.db2.gz GKYXGWSYDBLUJA-RYUDHWBXSA-N 2 0 269.389 -0.101 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423425397 354175628 /nfs/dbraw/zinc/17/56/28/354175628.db2.gz GUSOFEGMMCFVCK-UHFFFAOYSA-N 2 0 270.377 -0.782 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000423424779 354175764 /nfs/dbraw/zinc/17/57/64/354175764.db2.gz CYKXEOIXNLCJOG-ZJUUUORDSA-N 2 0 273.377 -0.031 20 0 CBADRP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+](C)[C@H]2C)C1 ZINC000422422745 354147048 /nfs/dbraw/zinc/14/70/48/354147048.db2.gz GNXMTYFKXKFFOS-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH+](C)[C@H]2C)C1 ZINC000422422747 354147188 /nfs/dbraw/zinc/14/71/88/354147188.db2.gz GNXMTYFKXKFFOS-RWMBFGLXSA-N 2 0 296.415 -0.204 20 0 CBADRP COCC[NH2+]CCNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422604483 354150163 /nfs/dbraw/zinc/15/01/63/354150163.db2.gz BYNDERDGYONTQE-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000423499678 354177343 /nfs/dbraw/zinc/17/73/43/354177343.db2.gz IABTVYJNNMFNMS-CHWSQXEVSA-N 2 0 298.431 -0.006 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422972970 354158843 /nfs/dbraw/zinc/15/88/43/354158843.db2.gz NGGHTXUTYKNGRG-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000423058293 354161056 /nfs/dbraw/zinc/16/10/56/354161056.db2.gz JDSQSSDHHODKIM-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423062429 354161312 /nfs/dbraw/zinc/16/13/12/354161312.db2.gz NAOCKQJSNMVOHW-GFCCVEGCSA-N 2 0 284.404 -0.408 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)C[C@H](C)[NH2+]1 ZINC000423058829 354161469 /nfs/dbraw/zinc/16/14/69/354161469.db2.gz DHQSQPOAWULAOF-QWRGUYRKSA-N 2 0 270.377 -0.785 20 0 CBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CC[NH+](C)C ZINC000423065562 354161772 /nfs/dbraw/zinc/16/17/72/354161772.db2.gz UUMCNIKNYQWFQB-GFCCVEGCSA-N 2 0 286.420 -0.162 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)C[C@H]1[NH3+] ZINC000423532552 354179728 /nfs/dbraw/zinc/17/97/28/354179728.db2.gz ZXYDTUCFSSAHSE-ZYHUDNBSSA-N 2 0 282.388 -0.655 20 0 CBADRP C[C@H]1CCN(C(=O)C2([NH3+])CCOCC2)C[C@@H]1C[NH3+] ZINC000424187745 354216992 /nfs/dbraw/zinc/21/69/92/354216992.db2.gz BGMUQISAOSOCTI-QWRGUYRKSA-N 2 0 255.362 -0.062 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000423625979 354186358 /nfs/dbraw/zinc/18/63/58/354186358.db2.gz RVIWNDUMMTVZTG-QWHCGFSZSA-N 2 0 296.415 -0.121 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1COCCN1C1CCCC1 ZINC000423664028 354190217 /nfs/dbraw/zinc/19/02/17/354190217.db2.gz HLFGEWGNFUBRBF-RQJABVFESA-N 2 0 279.384 -0.036 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC[NH2+]1 ZINC000423683501 354192367 /nfs/dbraw/zinc/19/23/67/354192367.db2.gz QBSYOVSHQYVFFA-QWHCGFSZSA-N 2 0 292.383 -0.721 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423727207 354193834 /nfs/dbraw/zinc/19/38/34/354193834.db2.gz QTANVGSASGFHMH-VXGBXAGGSA-N 2 0 282.388 -0.511 20 0 CBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000423742135 354195739 /nfs/dbraw/zinc/19/57/39/354195739.db2.gz INUNFUJAIBLITB-ZIAGYGMSSA-N 2 0 299.415 -0.066 20 0 CBADRP COCC[C@@]1(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC[NH2+]C1 ZINC000423755648 354196870 /nfs/dbraw/zinc/19/68/70/354196870.db2.gz KCWJXTMSWNSFEU-ZFWWWQNUSA-N 2 0 299.415 -0.208 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000423750581 354197201 /nfs/dbraw/zinc/19/72/01/354197201.db2.gz UGPHHPGWSVTRAG-QWHCGFSZSA-N 2 0 287.404 -0.081 20 0 CBADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423781383 354199195 /nfs/dbraw/zinc/19/91/95/354199195.db2.gz XPBOASFJDXVREZ-CHWSQXEVSA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000423777580 354199369 /nfs/dbraw/zinc/19/93/69/354199369.db2.gz RTYVNNDOZMLRJM-JSGCOSHPSA-N 2 0 298.431 -0.116 20 0 CBADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423781384 354199857 /nfs/dbraw/zinc/19/98/57/354199857.db2.gz XPBOASFJDXVREZ-OLZOCXBDSA-N 2 0 296.415 -0.347 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000423844080 354202181 /nfs/dbraw/zinc/20/21/81/354202181.db2.gz IREBNYOTYKHOFC-LBPRGKRZSA-N 2 0 255.362 -0.083 20 0 CBADRP CC1CC[NH+](CC(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000423984844 354206214 /nfs/dbraw/zinc/20/62/14/354206214.db2.gz CIBKLCDJEJRHMR-GFCCVEGCSA-N 2 0 255.362 -0.177 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CC[NH3+])CC1=O ZINC000423998200 354207337 /nfs/dbraw/zinc/20/73/37/354207337.db2.gz AFJYDZJADKRKKN-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000424060257 354207946 /nfs/dbraw/zinc/20/79/46/354207946.db2.gz PUOWWKNANDXBKJ-JTQLQIEISA-N 2 0 263.345 -0.078 20 0 CBADRP C[C@@H]([NH3+])CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424073953 354208198 /nfs/dbraw/zinc/20/81/98/354208198.db2.gz GGSGGWADRVLCCT-NXEZZACHSA-N 2 0 266.349 -0.330 20 0 CBADRP C[C@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC[NH2+]1 ZINC000424075079 354208247 /nfs/dbraw/zinc/20/82/47/354208247.db2.gz IQBQPJQPMJJVCJ-QWRGUYRKSA-N 2 0 278.360 -0.364 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424054551 354208357 /nfs/dbraw/zinc/20/83/57/354208357.db2.gz AVPATGZEAKMFCW-MNOVXSKESA-N 2 0 278.360 -0.316 20 0 CBADRP CC(C)([NH3+])CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424079249 354208874 /nfs/dbraw/zinc/20/88/74/354208874.db2.gz QVZSXMBIRJLLFA-VIFPVBQESA-N 2 0 266.349 -0.330 20 0 CBADRP CC(C)(C[NH3+])NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424076647 354209104 /nfs/dbraw/zinc/20/91/04/354209104.db2.gz MMHHMQKJNUJVQG-VIFPVBQESA-N 2 0 266.349 -0.330 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424155427 354212431 /nfs/dbraw/zinc/21/24/31/354212431.db2.gz NXBABNLPJLOUSG-VHSXEESVSA-N 2 0 266.349 -0.473 20 0 CBADRP COCC[NH2+]CCNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424157401 354212507 /nfs/dbraw/zinc/21/25/07/354212507.db2.gz QVROYAWZYCJCKP-LLVKDONJSA-N 2 0 295.387 -0.158 20 0 CBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424169026 354212972 /nfs/dbraw/zinc/21/29/72/354212972.db2.gz GPWPECCJSLHPBM-MJBXVCDLSA-N 2 0 280.416 -0.038 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@H]2COCCN2)C[C@@H]1N1CCOCC1 ZINC000424166561 354213299 /nfs/dbraw/zinc/21/32/99/354213299.db2.gz GGFZDYFRFIJQJR-MCIONIFRSA-N 2 0 297.399 -0.456 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000423501545 354178517 /nfs/dbraw/zinc/17/85/17/354178517.db2.gz CVGSNWCCLJIHKP-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428195326 354246026 /nfs/dbraw/zinc/24/60/26/354246026.db2.gz NSXVKMXRGBABJU-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP C[N@H+](CCNC(=O)COC1C[NH2+]C1)C1CCCC1 ZINC000430709744 354250488 /nfs/dbraw/zinc/25/04/88/354250488.db2.gz ZBBNXRRMEOLIII-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@H](CNC(=O)C(C)(C)C[NH3+])C[NH+]1CCN(C)CC1 ZINC000431016984 354251671 /nfs/dbraw/zinc/25/16/71/354251671.db2.gz MLLWKVLKNWNETF-GFCCVEGCSA-N 2 0 270.421 -0.029 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000431032844 354251903 /nfs/dbraw/zinc/25/19/03/354251903.db2.gz FBWGJPMIAHJGCB-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C[NH+]1CCN(C)CC1 ZINC000444264053 354266580 /nfs/dbraw/zinc/26/65/80/354266580.db2.gz BSIZCCMCCBBMGJ-IJEWVQPXSA-N 2 0 294.443 -0.014 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1C[NH2+]CCO1 ZINC000444169197 354262090 /nfs/dbraw/zinc/26/20/90/354262090.db2.gz QDOWETVYWAKBNI-SDDRHHMPSA-N 2 0 253.346 -0.282 20 0 CBADRP COCC(C)(C)[NH+]1CCN(C(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000424217542 354219330 /nfs/dbraw/zinc/21/93/30/354219330.db2.gz MCNJURSFADMLMQ-LBPRGKRZSA-N 2 0 287.404 -0.081 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424220609 354219934 /nfs/dbraw/zinc/21/99/34/354219934.db2.gz ALKWDHDHKJXZJT-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(CC[N@@H+]1CCC[C@@H](n2ccnn2)C1)N1CC[NH2+]CC1 ZINC000424289922 354222587 /nfs/dbraw/zinc/22/25/87/354222587.db2.gz CRWKYYUFEMYIPN-CYBMUJFWSA-N 2 0 292.387 -0.263 20 0 CBADRP CC[C@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)CC[N@@H+]1C[C@H](C)O ZINC000446365213 354286707 /nfs/dbraw/zinc/28/67/07/354286707.db2.gz VMDGDPCTWPSFFT-XQQFMLRXSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000444265397 354267237 /nfs/dbraw/zinc/26/72/37/354267237.db2.gz GWQYRPKTQHGXOK-NWDGAFQWSA-N 2 0 254.378 -0.652 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449091380 354317500 /nfs/dbraw/zinc/31/75/00/354317500.db2.gz QEIRCKPOYAAGON-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)NCCN1CC[NH2+]CC1 ZINC000449083328 354317933 /nfs/dbraw/zinc/31/79/33/354317933.db2.gz SWKJCRUJMQZBQK-STQMWFEESA-N 2 0 268.405 -0.085 20 0 CBADRP CN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C1CC([NH3+])C1 ZINC000449627707 354320673 /nfs/dbraw/zinc/32/06/73/354320673.db2.gz ARTSSUOWOGFOBV-UNXYVOJBSA-N 2 0 282.388 -0.655 20 0 CBADRP CN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C1CC([NH3+])C1 ZINC000449627711 354320936 /nfs/dbraw/zinc/32/09/36/354320936.db2.gz ARTSSUOWOGFOBV-VOMCLLRMSA-N 2 0 282.388 -0.655 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000449608053 354321078 /nfs/dbraw/zinc/32/10/78/354321078.db2.gz DQPYNCWADZEJTD-GHMZBOCLSA-N 2 0 270.377 -0.750 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000449694598 354321833 /nfs/dbraw/zinc/32/18/33/354321833.db2.gz HESYVUWBMHMJAG-OLZOCXBDSA-N 2 0 268.405 -0.119 20 0 CBADRP CN1CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000458845799 354380195 /nfs/dbraw/zinc/38/01/95/354380195.db2.gz OMRBZOMFMGTZAC-UHFFFAOYSA-N 2 0 270.377 -0.334 20 0 CBADRP C[NH+](C)CCOCCNC(=O)NCCNc1cc[nH+]cc1 ZINC000471647019 354402567 /nfs/dbraw/zinc/40/25/67/354402567.db2.gz YSWOBZLEEWROOJ-UHFFFAOYSA-N 2 0 295.387 -0.207 20 0 CBADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000479290970 354407562 /nfs/dbraw/zinc/40/75/62/354407562.db2.gz XYTVHQZBFOMYNE-MGPQQGTHSA-N 2 0 281.400 -0.101 20 0 CBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000479259496 354407660 /nfs/dbraw/zinc/40/76/60/354407660.db2.gz LQMLJBYLLQSROM-YNEHKIRRSA-N 2 0 267.373 -0.347 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000487190235 354413013 /nfs/dbraw/zinc/41/30/13/354413013.db2.gz QXDUTYVQOIOGOG-NEPJUHHUSA-N 2 0 257.378 -0.386 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000515058411 354555891 /nfs/dbraw/zinc/55/58/91/354555891.db2.gz RTYUHYRFUAFCIB-YNEHKIRRSA-N 2 0 266.389 -0.510 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000515523114 354556205 /nfs/dbraw/zinc/55/62/05/354556205.db2.gz OFXMTXKBSIXWGH-UTUOFQBUSA-N 2 0 269.393 -0.731 20 0 CBADRP [NH3+]Cc1ccc(C(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC000519398363 354560781 /nfs/dbraw/zinc/56/07/81/354560781.db2.gz VCYJGVOXMLWQSN-UHFFFAOYSA-N 2 0 276.340 -0.693 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000519399618 354560987 /nfs/dbraw/zinc/56/09/87/354560987.db2.gz XMYCRWQUMWYVQZ-RQJABVFESA-N 2 0 279.384 -0.036 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000519531904 354561309 /nfs/dbraw/zinc/56/13/09/354561309.db2.gz JYBAZBKCWZMVNT-DGCLKSJQSA-N 2 0 296.415 -0.299 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])CC(C)C ZINC000519609366 354564547 /nfs/dbraw/zinc/56/45/47/354564547.db2.gz NYHYNPULNIASLS-VHSXEESVSA-N 2 0 259.350 -0.244 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000519635693 354565626 /nfs/dbraw/zinc/56/56/26/354565626.db2.gz AIUIEOUJOPZCPJ-RWMBFGLXSA-N 2 0 296.415 -0.170 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CCCC[NH3+])C1 ZINC000519816619 354565648 /nfs/dbraw/zinc/56/56/48/354565648.db2.gz GVWDCCJZUJZBDN-LBPRGKRZSA-N 2 0 284.404 -0.181 20 0 CBADRP C[NH+]1CCC(O)(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000525437681 354571389 /nfs/dbraw/zinc/57/13/89/354571389.db2.gz WPTXTXZSABCSDT-LBPRGKRZSA-N 2 0 296.415 -0.021 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000529309034 354583437 /nfs/dbraw/zinc/58/34/37/354583437.db2.gz XSEGAETUCOGANK-ZIAGYGMSSA-N 2 0 297.447 -0.128 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000529389702 354585712 /nfs/dbraw/zinc/58/57/12/354585712.db2.gz SFGHNZCSSIKRHB-PWSUYJOCSA-N 2 0 268.361 -0.489 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529390419 354586073 /nfs/dbraw/zinc/58/60/73/354586073.db2.gz TYHFNEDWRBMBJA-WDEREUQCSA-N 2 0 256.350 -0.645 20 0 CBADRP [NH3+]C[C@@H]1CCCCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529391101 354586116 /nfs/dbraw/zinc/58/61/16/354586116.db2.gz XVEHKNBIHFCKNS-QWRGUYRKSA-N 2 0 256.350 -0.502 20 0 CBADRP CN(CC[NH+](C)C)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000534278508 354596759 /nfs/dbraw/zinc/59/67/59/354596759.db2.gz PERYZNUUWJTMDD-GFCCVEGCSA-N 2 0 254.378 -0.604 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000541818824 354627567 /nfs/dbraw/zinc/62/75/67/354627567.db2.gz GUVDISFMWVZHIX-ZDUSSCGKSA-N 2 0 285.436 -0.175 20 0 CBADRP C[NH+]1CCN(CCNc2cc[nH+]cc2C(N)=O)CC1 ZINC000545864993 354648288 /nfs/dbraw/zinc/64/82/88/354648288.db2.gz NPAGNWFJPPUICL-UHFFFAOYSA-N 2 0 263.345 -0.738 20 0 CBADRP CN1CCOC[C@@H]1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000545910866 354649553 /nfs/dbraw/zinc/64/95/53/354649553.db2.gz FNVAGVCLJYKDLY-CYBMUJFWSA-N 2 0 286.420 -0.731 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000538314525 354612784 /nfs/dbraw/zinc/61/27/84/354612784.db2.gz JYJFSUWMAXSOEE-ZDUSSCGKSA-N 2 0 298.431 -0.193 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000557242095 354685861 /nfs/dbraw/zinc/68/58/61/354685861.db2.gz ZWVRGSMTOWWWKY-ZIAGYGMSSA-N 2 0 297.447 -0.127 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000557256500 354686053 /nfs/dbraw/zinc/68/60/53/354686053.db2.gz ANNHPJXFDDBACA-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000557241474 354686149 /nfs/dbraw/zinc/68/61/49/354686149.db2.gz HVJPSWOGLMHFJH-WYUUTHIRSA-N 2 0 252.362 -0.012 20 0 CBADRP COCCN1CCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000562986351 354690950 /nfs/dbraw/zinc/69/09/50/354690950.db2.gz XGRCSJWVNXMQDR-ZIAGYGMSSA-N 2 0 282.388 -0.056 20 0 CBADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000563012334 354691887 /nfs/dbraw/zinc/69/18/87/354691887.db2.gz SOPHPKJIKNFPSP-JHJVBQTASA-N 2 0 259.394 -0.392 20 0 CBADRP C[C@@H]1CN(CCO)CCN1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000563034937 354692228 /nfs/dbraw/zinc/69/22/28/354692228.db2.gz DNWUYUHKZMWVHJ-CHWSQXEVSA-N 2 0 296.415 -0.069 20 0 CBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)COC2C[NH2+]C2)CC1 ZINC000563075741 354694482 /nfs/dbraw/zinc/69/44/82/354694482.db2.gz PHFAWKBKJSENFG-LBPRGKRZSA-N 2 0 285.388 -0.816 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3COCC[NH2+]3)[C@H]2C1 ZINC000563085685 354695318 /nfs/dbraw/zinc/69/53/18/354695318.db2.gz WQEKWNCQMATYOS-UPJWGTAASA-N 2 0 267.373 -0.083 20 0 CBADRP CN1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC000563101632 354696601 /nfs/dbraw/zinc/69/66/01/354696601.db2.gz JZSIPKIQINMKSY-GFCCVEGCSA-N 2 0 254.378 -0.571 20 0 CBADRP CC(C)[N@H+](C)CC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000563101904 354696956 /nfs/dbraw/zinc/69/69/56/354696956.db2.gz SOFMGTDQFNRWGQ-UHFFFAOYSA-N 2 0 281.364 -0.507 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000563109620 354697389 /nfs/dbraw/zinc/69/73/89/354697389.db2.gz VHVVLKJEBWBVCF-NWDGAFQWSA-N 2 0 276.340 -0.985 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000563109389 354697453 /nfs/dbraw/zinc/69/74/53/354697453.db2.gz ASOJLIRLTVWBPT-WCQYABFASA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000563109390 354697633 /nfs/dbraw/zinc/69/76/33/354697633.db2.gz ASOJLIRLTVWBPT-YPMHNXCESA-N 2 0 296.415 -0.027 20 0 CBADRP O=C(CCN1CC[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH2+]CC1 ZINC000563150066 354699549 /nfs/dbraw/zinc/69/95/49/354699549.db2.gz XUJKQVBOCLJHOU-STQMWFEESA-N 2 0 266.389 -0.650 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000563153894 354699780 /nfs/dbraw/zinc/69/97/80/354699780.db2.gz GGZOVGMYESTJOR-GHMZBOCLSA-N 2 0 255.362 -0.062 20 0 CBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563153666 354699841 /nfs/dbraw/zinc/69/98/41/354699841.db2.gz DMONATIIWCUNGD-GMTAPVOTSA-N 2 0 268.361 -0.109 20 0 CBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563153677 354699936 /nfs/dbraw/zinc/69/99/36/354699936.db2.gz DMONATIIWCUNGD-MXWKQRLJSA-N 2 0 268.361 -0.109 20 0 CBADRP O=C(CCN1CC[C@H]2[NH2+]CC[C@H]2C1)N1CC[NH2+]CC1 ZINC000563150014 354700055 /nfs/dbraw/zinc/70/00/55/354700055.db2.gz SYUMLXOSPCEQAK-QWHCGFSZSA-N 2 0 266.389 -0.508 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000563203354 354702605 /nfs/dbraw/zinc/70/26/05/354702605.db2.gz WTUDYZNXGRUPQT-QWHCGFSZSA-N 2 0 296.415 -0.025 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000563203355 354703004 /nfs/dbraw/zinc/70/30/04/354703004.db2.gz WTUDYZNXGRUPQT-STQMWFEESA-N 2 0 296.415 -0.025 20 0 CBADRP CN(C)C(=O)C(C)(C)[NH2+]CCC(=O)N1CC[NH2+]CC1 ZINC000563811757 354705976 /nfs/dbraw/zinc/70/59/76/354705976.db2.gz NNSSJDRKKRCDDA-UHFFFAOYSA-N 2 0 270.377 -0.735 20 0 CBADRP CCC[C@@](C)([NH3+])C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000564796116 354716665 /nfs/dbraw/zinc/71/66/65/354716665.db2.gz CPUPQGPHSHSOJD-GFCCVEGCSA-N 2 0 281.364 -0.330 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565237034 354733663 /nfs/dbraw/zinc/73/36/63/354733663.db2.gz AZJAAOWGCPLULJ-MNOVXSKESA-N 2 0 268.361 -0.901 20 0 CBADRP CC1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C[NH2+]C1 ZINC000564933357 354721362 /nfs/dbraw/zinc/72/13/62/354721362.db2.gz NGBPZXFKGQUIJI-NSHDSACASA-N 2 0 252.362 -0.898 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000564942389 354721940 /nfs/dbraw/zinc/72/19/40/354721940.db2.gz PTGRDZSJEBUEOB-JTQLQIEISA-N 2 0 255.362 -0.049 20 0 CBADRP CC(C)[NH2+]CCC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000564943835 354722093 /nfs/dbraw/zinc/72/20/93/354722093.db2.gz AQWLMTARZQADJL-UHFFFAOYSA-N 2 0 281.364 -0.459 20 0 CBADRP [NH3+][C@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)C1CC1 ZINC000564949727 354722262 /nfs/dbraw/zinc/72/22/62/354722262.db2.gz GJABJNPLTLBKMH-NXEZZACHSA-N 2 0 263.345 -0.046 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000564948712 354722269 /nfs/dbraw/zinc/72/22/69/354722269.db2.gz IRLKCOUIPSCJNB-VHSXEESVSA-N 2 0 256.350 -0.820 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000564956911 354722549 /nfs/dbraw/zinc/72/25/49/354722549.db2.gz XQVWYGIBEUVCSQ-MNOVXSKESA-N 2 0 255.362 -0.062 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000564992804 354724896 /nfs/dbraw/zinc/72/48/96/354724896.db2.gz UKHSQKCWBWRAQF-GHMZBOCLSA-N 2 0 271.361 -0.099 20 0 CBADRP COC[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000564988638 354724982 /nfs/dbraw/zinc/72/49/82/354724982.db2.gz KQDYJCKYGLVODN-CHWSQXEVSA-N 2 0 285.388 -0.456 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000564989875 354724999 /nfs/dbraw/zinc/72/49/99/354724999.db2.gz WABYEXPAIRKBOP-WDEREUQCSA-N 2 0 271.361 -0.323 20 0 CBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564994548 354725791 /nfs/dbraw/zinc/72/57/91/354725791.db2.gz CKTFZNBGTGSSQP-WDEREUQCSA-N 2 0 282.388 -0.499 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CCN2C1=O ZINC000565240438 354734603 /nfs/dbraw/zinc/73/46/03/354734603.db2.gz WSNCHCDRXWKFML-QJPTWQEYSA-N 3 0 252.362 -0.770 20 0 CBADRP [NH3+]C[C@@H](NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)C1CC1 ZINC000565950144 354748854 /nfs/dbraw/zinc/74/88/54/354748854.db2.gz VLOBLKAHNVXQKZ-JOYOIKCWSA-N 2 0 263.345 -0.046 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000566017418 354750771 /nfs/dbraw/zinc/75/07/71/354750771.db2.gz VJXLIFQUXFBIFZ-NWDGAFQWSA-N 3 0 254.378 -0.380 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)C)[C@H](C)C[NH2+]1 ZINC000566091791 354751705 /nfs/dbraw/zinc/75/17/05/354751705.db2.gz CVKGKZJIOIDUQS-VXGBXAGGSA-N 2 0 284.404 -0.395 20 0 CBADRP COc1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)nc1 ZINC000566123588 354753540 /nfs/dbraw/zinc/75/35/40/354753540.db2.gz CIUHSDWDRPGQPT-AWEZNQCLSA-N 2 0 294.399 -0.212 20 0 CBADRP [NH3+]CC[C@H]1CCCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000566251201 354759950 /nfs/dbraw/zinc/75/99/50/354759950.db2.gz KSSWYQPGBCAQSF-NEPJUHHUSA-N 2 0 282.388 -0.416 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)nn1 ZINC000566289088 354761777 /nfs/dbraw/zinc/76/17/77/354761777.db2.gz VPPADNRUVFHICC-YPMHNXCESA-N 2 0 292.387 -0.017 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)nn1 ZINC000566289085 354761987 /nfs/dbraw/zinc/76/19/87/354761987.db2.gz VPPADNRUVFHICC-WCQYABFASA-N 2 0 292.387 -0.017 20 0 CBADRP CC(C)[C@@H](C(=O)NCC(=O)N1CC[NH2+]CC1)[NH+](C)C ZINC000566289299 354762009 /nfs/dbraw/zinc/76/20/09/354762009.db2.gz VFMGXQDCBVGTEE-LBPRGKRZSA-N 2 0 270.377 -0.879 20 0 CBADRP C[C@@]1(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000566317415 354762694 /nfs/dbraw/zinc/76/26/94/354762694.db2.gz NUVCFCBATAHTJW-WDEREUQCSA-N 2 0 261.391 -0.391 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000566407473 354764956 /nfs/dbraw/zinc/76/49/56/354764956.db2.gz VNWHPTQIMNFNQA-LBPRGKRZSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N(C)CCC[NH3+])C1CC1 ZINC000566511625 354769988 /nfs/dbraw/zinc/76/99/88/354769988.db2.gz WZWRJAJSGJNBCP-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000567613898 354791857 /nfs/dbraw/zinc/79/18/57/354791857.db2.gz SSUNPSPVUAQLHY-LPWJVIDDSA-N 2 0 296.415 -0.077 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000567598918 354791874 /nfs/dbraw/zinc/79/18/74/354791874.db2.gz XEAAMRGSJVRXLW-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)[NH+]1CCN(CCC[NH2+]C(CO)CO)CC1 ZINC000566924445 354777918 /nfs/dbraw/zinc/77/79/18/354777918.db2.gz UMMJVOLRBJLWNA-UHFFFAOYSA-N 2 0 259.394 -0.655 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566984603 354778606 /nfs/dbraw/zinc/77/86/06/354778606.db2.gz MYIJZEGZOZHICR-GMTAPVOTSA-N 2 0 280.372 -0.855 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC000566974081 354778651 /nfs/dbraw/zinc/77/86/51/354778651.db2.gz VHSBNBXBJDHQHY-OCCSQVGLSA-N 2 0 266.389 -0.365 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000567049713 354779786 /nfs/dbraw/zinc/77/97/86/354779786.db2.gz KRMMWLINFDXUJA-SECBINFHSA-N 2 0 257.334 -0.345 20 0 CBADRP O=C(CC[NH2+]C1(CO)CCCC1)N1CC[NH2+]CC1 ZINC000567054311 354780733 /nfs/dbraw/zinc/78/07/33/354780733.db2.gz ISJGWPXMZRIEKS-UHFFFAOYSA-N 2 0 255.362 -0.297 20 0 CBADRP C[C@]1(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC[NH2+]C1 ZINC000567110361 354781576 /nfs/dbraw/zinc/78/15/76/354781576.db2.gz AROPHKQOHBZBJK-JSGCOSHPSA-N 3 0 268.405 -0.227 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C1(C[NH3+])CCCC1 ZINC000567227694 354783002 /nfs/dbraw/zinc/78/30/02/354783002.db2.gz YTINRVAOZKHLEY-LLVKDONJSA-N 2 0 254.378 -0.475 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000567350950 354785537 /nfs/dbraw/zinc/78/55/37/354785537.db2.gz JATIDELWFZWPHF-MNOVXSKESA-N 2 0 270.377 -0.656 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000567384043 354786922 /nfs/dbraw/zinc/78/69/22/354786922.db2.gz OWSDADPZWKCJRU-LBPRGKRZSA-N 2 0 259.350 -0.893 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000565254983 354734642 /nfs/dbraw/zinc/73/46/42/354734642.db2.gz RMBYZJKCFIVKNP-ZDUSSCGKSA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)[C@H]2C1 ZINC000565255785 354735555 /nfs/dbraw/zinc/73/55/55/354735555.db2.gz UPHVZUMVDOKGGB-WOPDTQHZSA-N 2 0 280.372 -0.983 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000565419926 354737568 /nfs/dbraw/zinc/73/75/68/354737568.db2.gz MWWZOXIFNQBWSG-VXGBXAGGSA-N 2 0 282.388 -0.748 20 0 CBADRP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000565419867 354738086 /nfs/dbraw/zinc/73/80/86/354738086.db2.gz IIEYEXMLYKRTIE-BXUZGUMPSA-N 2 0 284.404 -0.183 20 0 CBADRP C[C@H]1COCCN1CCNC(=O)COC1CC[NH2+]CC1 ZINC000565653952 354742842 /nfs/dbraw/zinc/74/28/42/354742842.db2.gz GKZSDOZKPZZYCZ-LBPRGKRZSA-N 2 0 285.388 -0.408 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC000565652096 354743200 /nfs/dbraw/zinc/74/32/00/354743200.db2.gz JWXQDBMDWXMRSB-DYEKYZERSA-N 2 0 267.373 -0.035 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000567839314 354800876 /nfs/dbraw/zinc/80/08/76/354800876.db2.gz JJUFXCBKOUGWCA-ZAZJYDDPSA-N 2 0 297.399 -0.295 20 0 CBADRP [NH3+]Cc1ccc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000567839110 354800967 /nfs/dbraw/zinc/80/09/67/354800967.db2.gz ZFBHMQFDGRREKC-GFCCVEGCSA-N 2 0 276.340 -0.048 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000567845318 354801011 /nfs/dbraw/zinc/80/10/11/354801011.db2.gz SQVSXAVMMHNKJD-YUMQZZPRSA-N 2 0 251.277 -0.536 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000567838147 354801027 /nfs/dbraw/zinc/80/10/27/354801027.db2.gz PQHVKYPBVXEGRK-NXEZZACHSA-N 2 0 256.350 -0.902 20 0 CBADRP CC[C@H](C[C@H](C)CO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000567873086 354801735 /nfs/dbraw/zinc/80/17/35/354801735.db2.gz MTIPWDGVAHOOHZ-ZNMIVQPWSA-N 2 0 287.448 -0.019 20 0 CBADRP C[N@H+](C[C@H](O)CNC[C@@H]1CCCC[NH+]1CCO)C1CC1 ZINC000567872828 354801948 /nfs/dbraw/zinc/80/19/48/354801948.db2.gz IBHAWZXRWAWCNR-LSDHHAIUSA-N 2 0 285.432 -0.122 20 0 CBADRP CC[C@H](C[C@H](C)CO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000567873085 354801971 /nfs/dbraw/zinc/80/19/71/354801971.db2.gz MTIPWDGVAHOOHZ-RRFJBIMHSA-N 2 0 287.448 -0.019 20 0 CBADRP C[N@H+](C[C@@H](O)CN[C@H](CO)C[NH+]1CCCC1)C1CC1 ZINC000567874436 354802609 /nfs/dbraw/zinc/80/26/09/354802609.db2.gz NQLGCIYXCDVRNL-JSGCOSHPSA-N 2 0 271.405 -0.512 20 0 CBADRP c1cncc([C@H]2C[NH2+]CCN2CCN2CC[NH2+]CC2)c1 ZINC000567889250 354803154 /nfs/dbraw/zinc/80/31/54/354803154.db2.gz FSFGCOJNELDZIQ-OAHLLOKOSA-N 2 0 275.400 -0.067 20 0 CBADRP CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000567894868 354803230 /nfs/dbraw/zinc/80/32/30/354803230.db2.gz ZOZMPEOCJSGZSW-LLVKDONJSA-N 2 0 279.406 -0.636 20 0 CBADRP C[C@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)C[NH+]1CCN(C)CC1 ZINC000568095066 354810453 /nfs/dbraw/zinc/81/04/53/354810453.db2.gz XSLBHLANEMVKAJ-NFAWXSAZSA-N 2 0 280.416 -0.262 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000568110333 354811467 /nfs/dbraw/zinc/81/14/67/354811467.db2.gz UOMKXYSAZLFTIG-JTQLQIEISA-N 2 0 268.361 -0.983 20 0 CBADRP CC[C@@H](CO)[NH+]1CCN(C[C@H](O)C[N@H+](C)CC)CC1 ZINC000568165676 354812232 /nfs/dbraw/zinc/81/22/32/354812232.db2.gz UHUNZDKEUAUYRM-UONOGXRCSA-N 2 0 273.421 -0.313 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000568266675 354819585 /nfs/dbraw/zinc/81/95/85/354819585.db2.gz GYYFHNWATVYJGT-LOWVWBTDSA-N 2 0 255.362 -0.144 20 0 CBADRP CC1(C)CN(C(=O)COC2CC[NH2+]CC2)CC[NH2+]1 ZINC000568389992 354822289 /nfs/dbraw/zinc/82/22/89/354822289.db2.gz MZKSOKPDOOGKMS-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP COC[C@H](C)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000568383998 354822592 /nfs/dbraw/zinc/82/25/92/354822592.db2.gz RJZXLFVDPDDHKJ-OLZOCXBDSA-N 2 0 259.394 -0.533 20 0 CBADRP COC[C@@]1(CNC(=O)C[C@@H]2CSCC[NH2+]2)CCC[NH2+]1 ZINC000568381339 354822801 /nfs/dbraw/zinc/82/28/01/354822801.db2.gz HNAFQRLNVFUECJ-YPMHNXCESA-N 2 0 287.429 -0.034 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000568490848 354824542 /nfs/dbraw/zinc/82/45/42/354824542.db2.gz CYXZJWUHIJKZPD-UHFFFAOYSA-N 2 0 299.419 -0.600 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CN1C1CC1 ZINC000567684038 354793797 /nfs/dbraw/zinc/79/37/97/354793797.db2.gz AHJSBQLULWXUAJ-YCPHGPKFSA-N 2 0 296.459 -0.191 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000570666014 354866994 /nfs/dbraw/zinc/86/69/94/354866994.db2.gz SKXKQVNUPRVBTN-VXGBXAGGSA-N 2 0 270.377 -0.242 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000570666012 354867320 /nfs/dbraw/zinc/86/73/20/354867320.db2.gz SKXKQVNUPRVBTN-NWDGAFQWSA-N 2 0 270.377 -0.242 20 0 CBADRP CCC(CC)[C@@H](O)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000570721382 354868122 /nfs/dbraw/zinc/86/81/22/354868122.db2.gz XLLLFYSRCWNDTI-GJZGRUSLSA-N 2 0 287.448 -0.019 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000571031365 354875674 /nfs/dbraw/zinc/87/56/74/354875674.db2.gz IZYUNEXYCVOXMO-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000571678523 354877724 /nfs/dbraw/zinc/87/77/24/354877724.db2.gz RCCQXWDGFWQZLN-KXUCPTDWSA-N 2 0 257.334 -0.524 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(COC)CC[NH2+]C2)C1 ZINC000569218300 354840173 /nfs/dbraw/zinc/84/01/73/354840173.db2.gz YSMZFDXCTUMHEE-OCCSQVGLSA-N 2 0 285.388 -0.551 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(COC)CC[NH2+]C2)C1 ZINC000569218301 354840219 /nfs/dbraw/zinc/84/02/19/354840219.db2.gz YSMZFDXCTUMHEE-TZMCWYRMSA-N 2 0 285.388 -0.551 20 0 CBADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC1C[NH2+]C1 ZINC000569336471 354843160 /nfs/dbraw/zinc/84/31/60/354843160.db2.gz QAMRSZPSCDUYJE-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC[NH2+]1 ZINC000569833907 354847288 /nfs/dbraw/zinc/84/72/88/354847288.db2.gz HWTOBPCYSSCLOQ-OLZOCXBDSA-N 2 0 294.399 -0.497 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000569906355 354849685 /nfs/dbraw/zinc/84/96/85/354849685.db2.gz LEOLLTOSDZFUPP-UHFFFAOYSA-N 2 0 298.431 -0.049 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000569967540 354851985 /nfs/dbraw/zinc/85/19/85/354851985.db2.gz UGPXHNUOUBKZGT-NEPJUHHUSA-N 2 0 255.362 -0.225 20 0 CBADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000570147392 354856082 /nfs/dbraw/zinc/85/60/82/354856082.db2.gz XFBDFNOQEFRYBC-QWHCGFSZSA-N 2 0 285.436 -0.001 20 0 CBADRP CCOC[C@@H](O)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000570201928 354856591 /nfs/dbraw/zinc/85/65/91/354856591.db2.gz NNRDYHYHNYPZQP-OLZOCXBDSA-N 2 0 259.394 -0.391 20 0 CBADRP [NH3+]C[C@@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000570449509 354862374 /nfs/dbraw/zinc/86/23/74/354862374.db2.gz JANRQGYFYXXHAX-NWDGAFQWSA-N 2 0 282.388 -0.512 20 0 CBADRP CCC[N@H+](CC)CCNC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000572235682 354889255 /nfs/dbraw/zinc/88/92/55/354889255.db2.gz FRMNGEGDKOKCJO-HNNXBMFYSA-N 2 0 286.464 -0.084 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](C[C@@H](C)O)C[C@@H]1C ZINC000572254788 354889779 /nfs/dbraw/zinc/88/97/79/354889779.db2.gz ZGKSXKMKRCQTNS-MJBXVCDLSA-N 2 0 273.421 -0.314 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000572347028 354891381 /nfs/dbraw/zinc/89/13/81/354891381.db2.gz PJZQAOBAAWISGX-UTUOFQBUSA-N 2 0 254.378 -0.524 20 0 CBADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000572494539 354892111 /nfs/dbraw/zinc/89/21/11/354892111.db2.gz YQLYEMSPDLFIGK-GRYCIOLGSA-N 2 0 257.378 -0.067 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000572481064 354892583 /nfs/dbraw/zinc/89/25/83/354892583.db2.gz OEKFLDOHHVZYRL-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000572517317 354893166 /nfs/dbraw/zinc/89/31/66/354893166.db2.gz LZNSJKYPNMEWRQ-UTUOFQBUSA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)C[N@@H+]1C1CC1 ZINC000572719345 354896225 /nfs/dbraw/zinc/89/62/25/354896225.db2.gz XFMFUGZKYVOQRB-GHMZBOCLSA-N 2 0 292.387 -0.018 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])nn1 ZINC000572833889 354898625 /nfs/dbraw/zinc/89/86/25/354898625.db2.gz QDARXWLETUWTFD-QWRGUYRKSA-N 2 0 280.376 -0.126 20 0 CBADRP C[N@H+](CCNC(=O)c1cn(CCCC[NH3+])nn1)C1CC1 ZINC000572837962 354899395 /nfs/dbraw/zinc/89/93/95/354899395.db2.gz KWHFPHDQULHPKX-UHFFFAOYSA-N 2 0 280.376 -0.159 20 0 CBADRP C[N@@H+]1CC[C@H]2OCCN(C(=O)[C@]34C[C@H]3CC[NH2+]4)[C@@H]2C1 ZINC000572869820 354899921 /nfs/dbraw/zinc/89/99/21/354899921.db2.gz RYSOGESUJZRILB-BYNQJWBRSA-N 2 0 265.357 -0.330 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000572977161 354901887 /nfs/dbraw/zinc/90/18/87/354901887.db2.gz LQMSAUACBVGWAE-GFCCVEGCSA-N 2 0 284.404 -0.360 20 0 CBADRP [NH3+]C[C@@H](NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C1CC1 ZINC000573204574 354906643 /nfs/dbraw/zinc/90/66/43/354906643.db2.gz BZTANVKZDKFRTR-GHMZBOCLSA-N 2 0 278.360 -0.503 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000573241964 354907634 /nfs/dbraw/zinc/90/76/34/354907634.db2.gz WJBHHSXGTKWGGD-NWDGAFQWSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000573241965 354907869 /nfs/dbraw/zinc/90/78/69/354907869.db2.gz WJBHHSXGTKWGGD-RYUDHWBXSA-N 2 0 296.415 -0.170 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000573246853 354909094 /nfs/dbraw/zinc/90/90/94/354909094.db2.gz IMQQFCZXGBCNBD-CMPLNLGQSA-N 2 0 294.330 -0.846 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000573465793 354913449 /nfs/dbraw/zinc/91/34/49/354913449.db2.gz JFKIFMPDNPHGPV-ZDUSSCGKSA-N 2 0 297.447 -0.079 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000573442362 354913497 /nfs/dbraw/zinc/91/34/97/354913497.db2.gz IWSDDRSWWDGUBC-SRVKXCTJSA-N 2 0 299.419 -0.391 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(CC[NH3+])nn2)C1 ZINC000571778482 354880319 /nfs/dbraw/zinc/88/03/19/354880319.db2.gz LBJSBZXKNYVRHB-DGCLKSJQSA-N 2 0 292.387 -0.207 20 0 CBADRP C[NH+](C)Cc1ccc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cn1 ZINC000571774728 354880391 /nfs/dbraw/zinc/88/03/91/354880391.db2.gz KABNTFLFPODRRB-KBPBESRZSA-N 2 0 292.383 -0.110 20 0 CBADRP CCCCNC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000571821162 354881294 /nfs/dbraw/zinc/88/12/94/354881294.db2.gz KDMDQUBJXBHLSD-QWRGUYRKSA-N 2 0 268.361 -0.854 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@@]12CCNC2=O ZINC000571818665 354881434 /nfs/dbraw/zinc/88/14/34/354881434.db2.gz SQCCVLWKDXIBRT-YPMHNXCESA-N 2 0 255.362 -0.347 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@@]12CCNC2=O ZINC000571818662 354881483 /nfs/dbraw/zinc/88/14/83/354881483.db2.gz SQCCVLWKDXIBRT-AAEUAGOBSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@H]([NH3+])CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000571801971 354881584 /nfs/dbraw/zinc/88/15/84/354881584.db2.gz BEAVUMFLDQGBOD-RWMBFGLXSA-N 3 0 268.405 -0.086 20 0 CBADRP Cn1cc(C(=O)N2CCN(C)C[C@H]2C[NH3+])ccc1=O ZINC000571880221 354882294 /nfs/dbraw/zinc/88/22/94/354882294.db2.gz ZREVDSNSSXNFSE-LLVKDONJSA-N 2 0 264.329 -0.900 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000573719109 354919652 /nfs/dbraw/zinc/91/96/52/354919652.db2.gz SUSPPDJHNYFQMV-ZDUSSCGKSA-N 2 0 253.346 -0.423 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000573801266 354922351 /nfs/dbraw/zinc/92/23/51/354922351.db2.gz XCDOUHMLBUXHEU-QCNOEVLYSA-N 2 0 283.372 -0.147 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000573967356 354925075 /nfs/dbraw/zinc/92/50/75/354925075.db2.gz VDTVUJWWCFWGGM-PWSUYJOCSA-N 2 0 270.377 -0.704 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N2CC3CCC2(C[NH3+])CC3)nn1 ZINC000574049576 354927058 /nfs/dbraw/zinc/92/70/58/354927058.db2.gz IVGQRVROOOKXCJ-UHFFFAOYSA-N 2 0 292.387 -0.030 20 0 CBADRP CN1CCN(C(=O)N[C@H]2CCSC2)[C@@H](C[NH3+])C1 ZINC000574059531 354927231 /nfs/dbraw/zinc/92/72/31/354927231.db2.gz HRDGDJGJFIEQHB-UWVGGRQHSA-N 2 0 258.391 -0.224 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000574200837 354930596 /nfs/dbraw/zinc/93/05/96/354930596.db2.gz ACLBNVCJMLHMEO-AWEZNQCLSA-N 2 0 299.415 -0.018 20 0 CBADRP C[NH2+]CCCC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000575044196 354933116 /nfs/dbraw/zinc/93/31/16/354933116.db2.gz MMOHBPDCKUFVEJ-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000575123747 354934369 /nfs/dbraw/zinc/93/43/69/354934369.db2.gz WMCSRPXKRNYOOJ-FIQHERPVSA-N 2 0 296.415 -0.030 20 0 CBADRP COC[C@]1(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC[NH2+]C1 ZINC000575915691 354937578 /nfs/dbraw/zinc/93/75/78/354937578.db2.gz LCVQIAAIZBNZLW-LOWVWBTDSA-N 2 0 255.362 -0.192 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000578126932 354938833 /nfs/dbraw/zinc/93/88/33/354938833.db2.gz HXWXVQSDBLMICP-WCQYABFASA-N 2 0 255.362 -0.048 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000343897610 291046577 /nfs/dbraw/zinc/04/65/77/291046577.db2.gz XIYLUHUAFZUXRT-GRYCIOLGSA-N 2 0 283.372 -0.038 20 0 CBADRP CCS(=O)(=O)NCC[NH+]1CCC(CC[NH3+])CC1 ZINC000578137147 354940205 /nfs/dbraw/zinc/94/02/05/354940205.db2.gz URYSYNVPNKHTJS-UHFFFAOYSA-N 2 0 263.407 -0.014 20 0 CBADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)N[C@H]1CC[NH2+]C1 ZINC000579026262 354961121 /nfs/dbraw/zinc/96/11/21/354961121.db2.gz UPBVVNSRENSTFS-NWDGAFQWSA-N 2 0 270.377 -0.506 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000578521926 354948801 /nfs/dbraw/zinc/94/88/01/354948801.db2.gz SMXXSEWJLXLZIR-WHOHXGKFSA-N 2 0 255.362 -0.132 20 0 CBADRP C[NH2+]CC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000578766448 354954377 /nfs/dbraw/zinc/95/43/77/354954377.db2.gz URWSNHBIOCFIFT-ZDUSSCGKSA-N 2 0 268.405 -0.167 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000578774474 354955374 /nfs/dbraw/zinc/95/53/74/354955374.db2.gz ATIHHDHNONYAPZ-UPJWGTAASA-N 2 0 267.373 -0.096 20 0 CBADRP COC[C@]1(C(=O)N[C@@H](CC[NH3+])C(F)F)CC[NH2+]C1 ZINC000578890097 354957582 /nfs/dbraw/zinc/95/75/82/354957582.db2.gz GBUPHPVIQRXCGW-KWQFWETISA-N 2 0 265.304 -0.289 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CC2(C[NH3+])CC2)C1 ZINC000579118874 354962766 /nfs/dbraw/zinc/96/27/66/354962766.db2.gz XYEACSSZIZFDMQ-LBPRGKRZSA-N 2 0 296.415 -0.181 20 0 CBADRP OCC[C@H]1CSCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000579122713 354963037 /nfs/dbraw/zinc/96/30/37/354963037.db2.gz JJTNZTJGGNNZQL-LBPRGKRZSA-N 2 0 259.419 -0.309 20 0 CBADRP CN(C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C1CC([NH3+])C1 ZINC000579352655 354968308 /nfs/dbraw/zinc/96/83/08/354968308.db2.gz HACRQWJKEAHLPV-YVNMAJEFSA-N 2 0 278.360 -0.408 20 0 CBADRP COC[C@@]1(CNC(=O)C[NH2+]C[C@@H]2CCCO2)CCC[NH2+]1 ZINC000579464295 354970123 /nfs/dbraw/zinc/97/01/23/354970123.db2.gz JWPXDCTUVFLONC-JSGCOSHPSA-N 2 0 285.388 -0.360 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000579490671 354972139 /nfs/dbraw/zinc/97/21/39/354972139.db2.gz DDVGENQYJVGRTO-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[NH2+]CCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000579590280 354973475 /nfs/dbraw/zinc/97/34/75/354973475.db2.gz VDCHMXQQDDYULS-LLVKDONJSA-N 2 0 280.376 -0.241 20 0 CBADRP COC1(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CCC1 ZINC000579701621 354976752 /nfs/dbraw/zinc/97/67/52/354976752.db2.gz FVYPKYPBTKIZEH-ZDUSSCGKSA-N 2 0 271.405 -0.247 20 0 CBADRP [NH3+]CCC1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000579726381 354977560 /nfs/dbraw/zinc/97/75/60/354977560.db2.gz IVNBLVDFQQRKTK-LBPRGKRZSA-N 2 0 255.362 -0.048 20 0 CBADRP COC[C@]1(CNC(=O)N(C)C2CC([NH3+])C2)CCC[NH2+]1 ZINC000579816019 354979654 /nfs/dbraw/zinc/97/96/54/354979654.db2.gz QITDWQGQOGDMPW-GCZXYKMCSA-N 2 0 270.377 -0.114 20 0 CBADRP C[NH+](C)CCN(C(=O)CCOC1C[NH2+]C1)C1CC1 ZINC000579830249 354979782 /nfs/dbraw/zinc/97/97/82/354979782.db2.gz SRXHBTWBOZMZSM-UHFFFAOYSA-N 2 0 255.362 -0.083 20 0 CBADRP COC[C@@]1(CNC(=O)[C@]2(C)CC[NH2+]C2)CCC[NH2+]1 ZINC000579823706 354979805 /nfs/dbraw/zinc/97/98/05/354979805.db2.gz FBIMKCSUMRUTHK-OLZOCXBDSA-N 2 0 255.362 -0.129 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000579830857 354979936 /nfs/dbraw/zinc/97/99/36/354979936.db2.gz YEDZKTFIPJDAMK-WDEREUQCSA-N 2 0 270.377 -0.717 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C[C@@H]1[NH3+] ZINC000579816285 354980101 /nfs/dbraw/zinc/98/01/01/354980101.db2.gz MZKDOZOUTTZUQW-VCDKRKBESA-N 2 0 294.399 -0.609 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](CCO)[C@@H](C)C1 ZINC000579854653 354982066 /nfs/dbraw/zinc/98/20/66/354982066.db2.gz HPUGAPUUDKFKCR-QWHCGFSZSA-N 2 0 259.394 -0.703 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000579968466 354984805 /nfs/dbraw/zinc/98/48/05/354984805.db2.gz AJUCQXHJSJNKRL-MCIONIFRSA-N 2 0 273.421 -0.050 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000579968463 354985294 /nfs/dbraw/zinc/98/52/94/354985294.db2.gz AJUCQXHJSJNKRL-IHRRRGAJSA-N 2 0 273.421 -0.050 20 0 CBADRP CCC[NH2+][C@@H](C)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000580071851 354987106 /nfs/dbraw/zinc/98/71/06/354987106.db2.gz CABXTJATBCLGFY-VIFPVBQESA-N 2 0 281.364 -0.459 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000580950188 355001722 /nfs/dbraw/zinc/00/17/22/355001722.db2.gz HPVLFJPSNWQMOF-AGIUHOORSA-N 2 0 294.399 -0.687 20 0 CBADRP C[C@H]1C[NH2+]CCN1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000584350863 355029931 /nfs/dbraw/zinc/02/99/31/355029931.db2.gz GEHYDSYKLKVFDC-NWDGAFQWSA-N 2 0 254.378 -0.523 20 0 CBADRP CN1CCC[C@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000584524807 355031166 /nfs/dbraw/zinc/03/11/66/355031166.db2.gz JQQVETSWLWEDFS-KBPBESRZSA-N 2 0 270.421 -0.722 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000584581144 355032060 /nfs/dbraw/zinc/03/20/60/355032060.db2.gz YTIMUTAQMWYWAL-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000584589975 355033041 /nfs/dbraw/zinc/03/30/41/355033041.db2.gz DOHDNVVPFIDPIV-LPEHRKFASA-N 2 0 266.349 -0.504 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000584598420 355033065 /nfs/dbraw/zinc/03/30/65/355033065.db2.gz HUMQPZCFQJHFTF-KGLIPLIRSA-N 3 0 298.431 -0.458 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000584839041 355039875 /nfs/dbraw/zinc/03/98/75/355039875.db2.gz CRJLGLYRHLDWHY-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)[C@@H]2C1 ZINC000418677626 283069858 /nfs/dbraw/zinc/06/98/58/283069858.db2.gz UUDOSSXXRBETFT-LBELIVKGSA-N 2 0 264.373 -0.060 20 0 CBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000581368355 355005486 /nfs/dbraw/zinc/00/54/86/355005486.db2.gz BYYATIQTIULSKF-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H]1CN(C[C@H]2CCCN(C(=O)C[NH3+])C2)[C@@H](C)C[NH2+]1 ZINC000582062566 355006431 /nfs/dbraw/zinc/00/64/31/355006431.db2.gz OWSSRWMQDUEHGG-AGIUHOORSA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@@]1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC000582120545 355008285 /nfs/dbraw/zinc/00/82/85/355008285.db2.gz AVNQPPNCTXDEAP-GXTWGEPZSA-N 2 0 266.389 -0.508 20 0 CBADRP C[C@H](C[NH2+]C[C@@H](O)Cn1cccn1)CN1CC[NH+](C)CC1 ZINC000582116985 355008382 /nfs/dbraw/zinc/00/83/82/355008382.db2.gz ABLVFJQSJGQDEV-HUUCEWRRSA-N 2 0 295.431 -0.283 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000582350472 355015037 /nfs/dbraw/zinc/01/50/37/355015037.db2.gz FBIMBNVEMSXPSZ-NWDGAFQWSA-N 2 0 294.399 -0.450 20 0 CBADRP CNS(=O)(=O)CCC[NH+]1CCC(CC[NH3+])CC1 ZINC000583504959 355018088 /nfs/dbraw/zinc/01/80/88/355018088.db2.gz MKXMTNRGXZXUDL-UHFFFAOYSA-N 2 0 263.407 -0.014 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]C1 ZINC000583992863 355026050 /nfs/dbraw/zinc/02/60/50/355026050.db2.gz IZLSSPDXKUKZFM-BZPMIXESSA-N 2 0 267.373 -0.320 20 0 CBADRP CCC[NH2+][C@@H](C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000583992352 355026270 /nfs/dbraw/zinc/02/62/70/355026270.db2.gz GJDLEHJXIWNEMC-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3C[NH3+])C[C@@H]21 ZINC000584047550 355028186 /nfs/dbraw/zinc/02/81/86/355028186.db2.gz NUDRRNKBGPJXIG-WOPDTQHZSA-N 2 0 280.372 -0.901 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000588975171 355063936 /nfs/dbraw/zinc/06/39/36/355063936.db2.gz FWSWJELQLRKSQA-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCCCN2CC[NH+](C)CC2)C1 ZINC000591667694 355106534 /nfs/dbraw/zinc/10/65/34/355106534.db2.gz ODPPRWCCFXXTJU-ZDUSSCGKSA-N 2 0 268.405 -0.308 20 0 CBADRP NC(=O)NC(=O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000591726570 355111462 /nfs/dbraw/zinc/11/14/62/355111462.db2.gz PSTMUFPMFSHAOP-UWVGGRQHSA-N 2 0 254.334 -0.212 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000591933510 355121018 /nfs/dbraw/zinc/12/10/18/355121018.db2.gz HYJFWEAQKGDRRY-LBPRGKRZSA-N 2 0 292.339 -0.379 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000591354705 355093580 /nfs/dbraw/zinc/09/35/80/355093580.db2.gz PLEJKSJPPWUJEE-WOPDTQHZSA-N 2 0 283.372 -0.262 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000592548543 355161103 /nfs/dbraw/zinc/16/11/03/355161103.db2.gz HGMWNGMYRLUNJM-GUBZILKMSA-N 2 0 275.324 -0.575 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000592546765 355161182 /nfs/dbraw/zinc/16/11/82/355161182.db2.gz CLABTMSMNUKURL-NEPJUHHUSA-N 2 0 299.371 -0.882 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000592551565 355161595 /nfs/dbraw/zinc/16/15/95/355161595.db2.gz FVNZXRIQXQAVBG-RYUDHWBXSA-N 2 0 283.372 -0.118 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000592551221 355161968 /nfs/dbraw/zinc/16/19/68/355161968.db2.gz FBJIKMCBKSOARC-SDDRHHMPSA-N 2 0 283.372 -0.262 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CC1CC[NH2+]CC1 ZINC000592549644 355162003 /nfs/dbraw/zinc/16/20/03/355162003.db2.gz ZCQGPNPVBLEFOY-LBPRGKRZSA-N 2 0 283.372 -0.260 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000592550723 355162064 /nfs/dbraw/zinc/16/20/64/355162064.db2.gz HTPNILDATKWICI-AEJSXWLSSA-N 2 0 255.318 -0.913 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000592553404 355162839 /nfs/dbraw/zinc/16/28/39/355162839.db2.gz KRASXQZJKDCQSW-GUBZILKMSA-N 2 0 257.334 -0.667 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000592552573 355162885 /nfs/dbraw/zinc/16/28/85/355162885.db2.gz ITQBMGPLXFBUSL-NEPJUHHUSA-N 2 0 295.383 -0.260 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[NH2+]C1CC1 ZINC000592557242 355163762 /nfs/dbraw/zinc/16/37/62/355163762.db2.gz XCJTVWNOIIHBDP-SNVBAGLBSA-N 2 0 255.318 -0.898 20 0 CBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)CC1 ZINC000592559090 355164714 /nfs/dbraw/zinc/16/47/14/355164714.db2.gz JDAVCFCGLRKSEV-KBXIAJHMSA-N 2 0 292.427 -0.310 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1OC ZINC000592287081 355146291 /nfs/dbraw/zinc/14/62/91/355146291.db2.gz NVRWLYRGNGRBMG-WDEREUQCSA-N 2 0 295.339 -0.298 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000592331957 355148132 /nfs/dbraw/zinc/14/81/32/355148132.db2.gz DDNABKUXRZUKNF-KXUCPTDWSA-N 2 0 257.334 -0.476 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H](C)[NH+](C)C ZINC000592962657 355187929 /nfs/dbraw/zinc/18/79/29/355187929.db2.gz GUZNRPVOUULTJF-UWVGGRQHSA-N 2 0 257.334 -0.700 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000593908070 355228150 /nfs/dbraw/zinc/22/81/50/355228150.db2.gz XHIPPEWOHADPHK-VXGBXAGGSA-N 2 0 283.372 -0.260 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC000593919540 355231735 /nfs/dbraw/zinc/23/17/35/355231735.db2.gz UHKZAWAMJUCJND-JTQLQIEISA-N 2 0 257.334 -0.617 20 0 CBADRP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736265 355217090 /nfs/dbraw/zinc/21/70/90/355217090.db2.gz KTTAACBPRXQHBR-TUAOUCFPSA-N 2 0 298.387 -0.340 20 0 CBADRP CNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000593730160 355217402 /nfs/dbraw/zinc/21/74/02/355217402.db2.gz LALFQCSLTFHZSK-IJLUTSLNSA-N 2 0 298.387 -0.197 20 0 CBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)CC3([NH3+])CCC3)CCN2C1=O ZINC000594873649 355265706 /nfs/dbraw/zinc/26/57/06/355265706.db2.gz GLRDXFBJCRULGD-UWVGGRQHSA-N 2 0 266.345 -0.972 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594885733 355267718 /nfs/dbraw/zinc/26/77/18/355267718.db2.gz HMJKDVSWWDUIJT-QJPTWQEYSA-N 2 0 280.372 -0.759 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[NH2+]3)CCN2C1=O ZINC000594879717 355267788 /nfs/dbraw/zinc/26/77/88/355267788.db2.gz KZPCEBNSQMQTJC-SDDRHHMPSA-N 2 0 280.372 -0.711 20 0 CBADRP CC(C)[C@H]([NH3+])CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594880561 355267903 /nfs/dbraw/zinc/26/79/03/355267903.db2.gz UVVOHJPEBMCGKB-AXFHLTTASA-N 2 0 268.361 -0.870 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594885734 355268106 /nfs/dbraw/zinc/26/81/06/355268106.db2.gz HMJKDVSWWDUIJT-SDDRHHMPSA-N 2 0 280.372 -0.759 20 0 CBADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)NC(N)=O)C2 ZINC000595506444 355289602 /nfs/dbraw/zinc/28/96/02/355289602.db2.gz CIHVLMITLKKCIE-CYBMUJFWSA-N 2 0 268.361 -0.011 20 0 CBADRP COC(=O)CCN1CCC[C@H]([N@@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000595892806 355314349 /nfs/dbraw/zinc/31/43/49/355314349.db2.gz NYXAMXNCFOEBTD-RYUDHWBXSA-N 2 0 283.372 -0.179 20 0 CBADRP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)C1=O ZINC000595890181 355314646 /nfs/dbraw/zinc/31/46/46/355314646.db2.gz ZGIGBTPSDSFMBQ-SRVKXCTJSA-N 2 0 283.372 -0.181 20 0 CBADRP NC(=O)NC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900733 355315660 /nfs/dbraw/zinc/31/56/60/355315660.db2.gz JJAVWGSQFPCHMR-NSHDSACASA-N 2 0 268.361 -0.107 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000595949475 355326058 /nfs/dbraw/zinc/32/60/58/355326058.db2.gz DUXLBMDMAZUWAT-UWVGGRQHSA-N 2 0 257.334 -0.652 20 0 CBADRP COC(=O)CCN1CCC[C@H]([NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000595293225 355279797 /nfs/dbraw/zinc/27/97/97/355279797.db2.gz HWQZTJNMMSMMDP-AVGNSLFASA-N 2 0 295.383 -0.308 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000596106138 355343923 /nfs/dbraw/zinc/34/39/23/355343923.db2.gz PQPNPZLXTRWLCL-NDBYEHHHSA-N 3 0 266.389 -0.524 20 0 CBADRP CS[C@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@H]1[NH+](C)C ZINC000599060347 355461511 /nfs/dbraw/zinc/46/15/11/355461511.db2.gz QRQROCJBCZZVPH-RQJHMYQMSA-N 2 0 269.378 -0.821 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC1CC[NH+](C)CC1 ZINC000601317592 355584702 /nfs/dbraw/zinc/58/47/02/355584702.db2.gz ZTRGGDJYLCJFOZ-CQSZACIVSA-N 2 0 297.447 -0.127 20 0 CBADRP CC[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[NH+](C)C ZINC000600761398 355565562 /nfs/dbraw/zinc/56/55/62/355565562.db2.gz PKYQCULZLHZJPA-HBNTYKKESA-N 2 0 268.361 -0.903 20 0 CBADRP CCOCCS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000602255427 355642110 /nfs/dbraw/zinc/64/21/10/355642110.db2.gz DXKDNGGYOXLGSF-UHFFFAOYSA-N 2 0 295.449 -0.222 20 0 CBADRP CC(C)[N@H+](C)CCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602472671 355652309 /nfs/dbraw/zinc/65/23/09/355652309.db2.gz JMOVLDQZHBDGHU-IBGZPJMESA-N 2 0 289.445 -0.057 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CCC1C[NH2+]C1 ZINC000602490491 355653117 /nfs/dbraw/zinc/65/31/17/355653117.db2.gz DSRYVXAPNXCVAN-NSHDSACASA-N 2 0 269.345 -0.651 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)Cn1ccnc1C ZINC000602490000 355653124 /nfs/dbraw/zinc/65/31/24/355653124.db2.gz BPDKWPSMTOYDFC-NSHDSACASA-N 2 0 280.328 -0.445 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000602493727 355653795 /nfs/dbraw/zinc/65/37/95/355653795.db2.gz PTKMOQOXYHFBTG-VHSXEESVSA-N 2 0 257.334 -0.652 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000602490644 355654079 /nfs/dbraw/zinc/65/40/79/355654079.db2.gz DXWATOKBIQGIFB-MNOVXSKESA-N 2 0 267.329 -0.603 20 0 CBADRP C[S@@](=O)C1(C(=O)N2CC[NH2+]C(C)(C)C2)CC[NH2+]CC1 ZINC000602496011 355654147 /nfs/dbraw/zinc/65/41/47/355654147.db2.gz KCHQFMPXFXEYHL-LJQANCHMSA-N 2 0 287.429 -0.303 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000602523737 355657484 /nfs/dbraw/zinc/65/74/84/355657484.db2.gz HOMLNXIZMNOHKD-UTUOFQBUSA-N 2 0 280.372 -0.901 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[N@@H+]1C ZINC000602525153 355657603 /nfs/dbraw/zinc/65/76/03/355657603.db2.gz MYIGENHSSFIGML-YVECIDJPSA-N 2 0 294.399 -0.513 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000602532002 355658293 /nfs/dbraw/zinc/65/82/93/355658293.db2.gz ZALMBINLGHESOC-WDEREUQCSA-N 2 0 280.372 -0.901 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000602605579 355664617 /nfs/dbraw/zinc/66/46/17/355664617.db2.gz WZZNFHVBQZEIET-WOPDTQHZSA-N 2 0 283.372 -0.133 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@]34CCC[C@H]3C[NH2+]C4)CCN2C1=O ZINC000601974080 355623680 /nfs/dbraw/zinc/62/36/80/355623680.db2.gz LIIPCVHFLXKQMK-YFCNSXCBSA-N 2 0 292.383 -0.854 20 0 CBADRP C[N@H+](C[C@H](O)Cn1cc(CSCC[NH3+])nn1)C1CC1 ZINC000603259615 355701310 /nfs/dbraw/zinc/70/13/10/355701310.db2.gz MWCWABJCNKIJOB-LBPRGKRZSA-N 2 0 285.417 -0.075 20 0 CBADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419119346 295907340 /nfs/dbraw/zinc/90/73/40/295907340.db2.gz JNLKHNIMWSVTIA-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP C[NH+](C)C[C@]1(O)CCC[N@H+](CCCC(=O)NC(N)=O)C1 ZINC000602891472 355681791 /nfs/dbraw/zinc/68/17/91/355681791.db2.gz NMBZZSRKMCKZBL-CYBMUJFWSA-N 2 0 286.376 -0.650 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+](C)C)C1 ZINC000606618535 355740738 /nfs/dbraw/zinc/74/07/38/355740738.db2.gz GNHDNGVANMBYFL-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP Cn1cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)nn1 ZINC000608055997 355755891 /nfs/dbraw/zinc/75/58/91/355755891.db2.gz MXLCTKRKOHRYHW-UHFFFAOYSA-N 2 0 266.393 -0.068 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@]2(C)CC[NH2+]C2)C1 ZINC000612883767 355855152 /nfs/dbraw/zinc/85/51/52/355855152.db2.gz UQGHDXMUKRUEBC-AAEUAGOBSA-N 2 0 270.377 -0.242 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000612995165 355860674 /nfs/dbraw/zinc/86/06/74/355860674.db2.gz WOVSFUVWVFHLER-SRVKXCTJSA-N 2 0 282.388 -0.114 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CCCO1 ZINC000612994808 355860771 /nfs/dbraw/zinc/86/07/71/355860771.db2.gz VRJCPBZUSTYJGN-NEPJUHHUSA-N 2 0 282.388 -0.112 20 0 CBADRP O[C@H](COC[C@H]1CCCO1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613210948 355872566 /nfs/dbraw/zinc/87/25/66/355872566.db2.gz UPQCRRPCPRZPKQ-RFQIPJPRSA-N 2 0 270.373 -0.306 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N[C@H](CO)C[NH+](C)C)CC1 ZINC000614846470 355988703 /nfs/dbraw/zinc/98/87/03/355988703.db2.gz HPQVHWRGOARURC-ZDUSSCGKSA-N 2 0 286.420 -0.947 20 0 CBADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H](CO)C[NH+](C)C)n1 ZINC000614858068 355994341 /nfs/dbraw/zinc/99/43/41/355994341.db2.gz LPNVFQXORNFMLL-LLVKDONJSA-N 2 0 283.376 -0.903 20 0 CBADRP C[C@@H](C(=O)N[C@]1(C)CCN(C(=O)[C@H](C)[NH+](C)C)C1)[NH+](C)C ZINC000614983992 356001582 /nfs/dbraw/zinc/00/15/82/356001582.db2.gz JLJBPOIVKREEQA-SLEUVZQESA-N 2 0 298.431 -0.006 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC(C[NH+](C)C)C1 ZINC000615504068 356037209 /nfs/dbraw/zinc/03/72/09/356037209.db2.gz OFCJRSBYPZHOIB-GFCCVEGCSA-N 2 0 269.389 -0.025 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[NH+](C)C ZINC000617756965 356154385 /nfs/dbraw/zinc/15/43/85/356154385.db2.gz RUUGYGTYPGNAIL-STQMWFEESA-N 2 0 268.405 -0.167 20 0 CBADRP CCN(C(=O)[C@@H]1C[NH+]2CCN1CCC2)[C@@H]1CC[N@H+](C)C1 ZINC000617553680 356141813 /nfs/dbraw/zinc/14/18/13/356141813.db2.gz NXZJSFVEYOIWHC-KGLIPLIRSA-N 2 0 280.416 -0.071 20 0 CBADRP O=C(CC[C@H]1CCC[NH2+]C1)NCCN1CC[NH2+]CC1 ZINC000621620862 356278037 /nfs/dbraw/zinc/27/80/37/356278037.db2.gz KIQHAHMTROUXHA-CYBMUJFWSA-N 2 0 268.405 -0.212 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621680892 356280071 /nfs/dbraw/zinc/28/00/71/356280071.db2.gz JZSTXZQDSNGDFF-GVXVVHGQSA-N 2 0 254.378 -0.395 20 0 CBADRP COC[C@]1(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC[NH2+]C1 ZINC000621683079 356280588 /nfs/dbraw/zinc/28/05/88/356280588.db2.gz PKKMRUIKPSDMFT-UBHSHLNASA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C[C@H]1COCC[NH2+]1)C2 ZINC000621683657 356280632 /nfs/dbraw/zinc/28/06/32/356280632.db2.gz YXLCVDYQUCVQEJ-MDZLAQPJSA-N 2 0 253.346 -0.295 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621838099 356288749 /nfs/dbraw/zinc/28/87/49/356288749.db2.gz XNIYMTADMPNFPC-ABAIWWIYSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621841674 356288921 /nfs/dbraw/zinc/28/89/21/356288921.db2.gz YFPOWDOVTVCJOY-LALPHHSUSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621846003 356290117 /nfs/dbraw/zinc/29/01/17/356290117.db2.gz SWAHGPVPLZEWFQ-DOMZBBRYSA-N 2 0 296.415 -0.216 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622025276 356300319 /nfs/dbraw/zinc/30/03/19/356300319.db2.gz NUSWKLGVTCTMLC-BXUZGUMPSA-N 2 0 282.388 -0.654 20 0 CBADRP Nc1nc(NCC2CC[NH+](C3CC3)CC2)nc(N)[nH+]1 ZINC000624162162 356399912 /nfs/dbraw/zinc/39/99/12/356399912.db2.gz QRAMLFNQUIUISD-UHFFFAOYSA-N 2 0 263.349 -0.595 20 0 CBADRP Nc1nc(N2CCN(c3cc[nH+]cc3)CC2)nc(N)[nH+]1 ZINC000623812360 356377086 /nfs/dbraw/zinc/37/70/86/356377086.db2.gz SZALFFZZINMIAG-UHFFFAOYSA-N 2 0 272.316 -0.582 20 0 CBADRP C[C@H]1CCCC[N@@H+]1CCCNc1nc(N)[nH+]c(N)n1 ZINC000623810187 356377152 /nfs/dbraw/zinc/37/71/52/356377152.db2.gz MPNQBWYUJFYQLA-VIFPVBQESA-N 2 0 265.365 -0.205 20 0 CBADRP CC1CC[NH+](CCNc2nc(N)[nH+]c(N)n2)CC1 ZINC000623859534 356379574 /nfs/dbraw/zinc/37/95/74/356379574.db2.gz QSJATSCAXKRFEN-UHFFFAOYSA-N 2 0 251.338 -0.738 20 0 CBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2nc(N)[nH+]c(N)n2)C1 ZINC000623864305 356380102 /nfs/dbraw/zinc/38/01/02/356380102.db2.gz LNQJOQWJZBPNNV-AOOOYVTPSA-N 2 0 279.392 -0.101 20 0 CBADRP Nc1nc(N2CCC[C@@H]([NH+]3CCCC3)C2)nc(N)[nH+]1 ZINC000623870310 356380150 /nfs/dbraw/zinc/38/01/50/356380150.db2.gz VZTRCIJQBCDIPH-SECBINFHSA-N 2 0 263.349 -0.239 20 0 CBADRP C[NH+](C)CC1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623868646 356380482 /nfs/dbraw/zinc/38/04/82/356380482.db2.gz CHNPNVDDJZLYRO-UHFFFAOYSA-N 2 0 251.338 -0.525 20 0 CBADRP CN(CC1CC[NH+](C)CC1)c1nc(N)[nH+]c(N)n1 ZINC000623938721 356384131 /nfs/dbraw/zinc/38/41/31/356384131.db2.gz ZXLKRDLFRMJPQW-UHFFFAOYSA-N 2 0 251.338 -0.525 20 0 CBADRP Nc1nc(N2CC[C@@H]([NH+]3CCCCC3)C2)nc(N)[nH+]1 ZINC000623955122 356384383 /nfs/dbraw/zinc/38/43/83/356384383.db2.gz NDZZJAQCHXWTDE-SECBINFHSA-N 2 0 263.349 -0.239 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)c1nc(N)[nH+]c(N)n1 ZINC000623974424 356385575 /nfs/dbraw/zinc/38/55/75/356385575.db2.gz DYZDJYBXGASOJX-QMMMGPOBSA-N 2 0 251.338 -0.525 20 0 CBADRP CC[NH+](CC)C[C@H]1CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624005361 356388165 /nfs/dbraw/zinc/38/81/65/356388165.db2.gz OUHZHZKANLSJHB-SECBINFHSA-N 2 0 265.365 -0.135 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)c1nc(N)[nH+]c(N)n1 ZINC000624016690 356389737 /nfs/dbraw/zinc/38/97/37/356389737.db2.gz BFUOSESMXAWZAC-UHFFFAOYSA-N 3 0 296.423 -0.593 20 0 CBADRP C[NH+](C)CC1CCC(Nc2nc(N)[nH+]c(N)n2)CC1 ZINC000624057571 356393293 /nfs/dbraw/zinc/39/32/93/356393293.db2.gz PPFBGBIDBJCPKQ-UHFFFAOYSA-N 2 0 265.365 -0.349 20 0 CBADRP C[NH+]1CCC([C@H]2CCN(c3nc(N)[nH+]c(N)n3)C2)CC1 ZINC000624065102 356394833 /nfs/dbraw/zinc/39/48/33/356394833.db2.gz XEQQLIUZFIWQJZ-JTQLQIEISA-N 2 0 277.376 -0.135 20 0 CBADRP Cc1nn(C)cc1S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000624368561 356414156 /nfs/dbraw/zinc/41/41/56/356414156.db2.gz SAXFALWCTVNRDX-UHFFFAOYSA-N 2 0 289.405 -0.583 20 0 CBADRP Nc1nc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)nc(N)[nH+]1 ZINC000624375463 356414898 /nfs/dbraw/zinc/41/48/98/356414898.db2.gz QQNKDVMLDVIJKJ-IUCAKERBSA-N 2 0 263.349 -0.453 20 0 CBADRP Nc1nc(NC2CC([NH+]3CCCCC3)C2)nc(N)[nH+]1 ZINC000624177264 356401180 /nfs/dbraw/zinc/40/11/80/356401180.db2.gz AADPXQICMKOKRL-UHFFFAOYSA-N 2 0 263.349 -0.453 20 0 CBADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1nc(N)[nH+]c(N)n1 ZINC000624212693 356404896 /nfs/dbraw/zinc/40/48/96/356404896.db2.gz STMPRKRKZDEFDX-BDAKNGLRSA-N 2 0 263.349 -0.240 20 0 CBADRP CCC[N@H+](CC)C[C@@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624233980 356405999 /nfs/dbraw/zinc/40/59/99/356405999.db2.gz KVUOLBGGSDCFQN-MRVPVSSYSA-N 2 0 253.354 -0.349 20 0 CBADRP CC(C)[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000626929461 356557328 /nfs/dbraw/zinc/55/73/28/356557328.db2.gz NIQDJYXIHVLPNH-ZIAGYGMSSA-N 2 0 297.447 -0.081 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCC1([NH3+])CCOCC1 ZINC000626950670 356558760 /nfs/dbraw/zinc/55/87/60/356558760.db2.gz YHYBPDCSBYVMGR-LLVKDONJSA-N 2 0 270.377 -0.112 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626965432 356560655 /nfs/dbraw/zinc/56/06/55/356560655.db2.gz DUJXXEWWCXYGSN-WDEREUQCSA-N 2 0 258.366 -0.386 20 0 CBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000626979251 356562641 /nfs/dbraw/zinc/56/26/41/356562641.db2.gz VBJVUWPNXDXZGK-CHWSQXEVSA-N 2 0 295.431 -0.184 20 0 CBADRP CCN(CC[NH3+])C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000627003103 356566169 /nfs/dbraw/zinc/56/61/69/356566169.db2.gz GYTKKJNDCSMIOP-WDEREUQCSA-N 2 0 258.366 -0.304 20 0 CBADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2COCC[NH2+]2)CCC1 ZINC000627018223 356567645 /nfs/dbraw/zinc/56/76/45/356567645.db2.gz SICPKSIKWGZIFL-LLVKDONJSA-N 2 0 270.377 -0.242 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@@H]1COCC[NH2+]1 ZINC000627072770 356573505 /nfs/dbraw/zinc/57/35/05/356573505.db2.gz GQLDEQRVQBQTFK-WDEREUQCSA-N 2 0 256.350 -0.726 20 0 CBADRP C[NH+](C)CCOCCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000627018961 356568418 /nfs/dbraw/zinc/56/84/18/356568418.db2.gz LFPRAMZTFDMJHO-UHFFFAOYSA-N 2 0 288.392 -0.628 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000627062861 356571449 /nfs/dbraw/zinc/57/14/49/356571449.db2.gz FEULEEVIKZACLG-NWDGAFQWSA-N 2 0 269.393 -0.669 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000627068569 356572512 /nfs/dbraw/zinc/57/25/12/356572512.db2.gz IUZLRNUOEBMDIS-NSHDSACASA-N 2 0 258.366 -0.397 20 0 CBADRP C[NH2+]CCOCCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000627066856 356572531 /nfs/dbraw/zinc/57/25/31/356572531.db2.gz XJMPEORFTVBWSY-LLVKDONJSA-N 2 0 258.366 -0.336 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000627069399 356572679 /nfs/dbraw/zinc/57/26/79/356572679.db2.gz NYOWBHHPGCMHFU-LBPRGKRZSA-N 2 0 272.393 -0.137 20 0 CBADRP CCN(CC[NH3+])C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000626982504 356563730 /nfs/dbraw/zinc/56/37/30/356563730.db2.gz JGJURBLPHNCTIH-LLVKDONJSA-N 2 0 258.366 -0.303 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627131867 356587874 /nfs/dbraw/zinc/58/78/74/356587874.db2.gz XEWCPTSRVKGDOA-AAEUAGOBSA-N 2 0 284.404 -0.117 20 0 CBADRP C[C@H]1CN(C(=O)NCC2([NH3+])CCOCC2)CC[NH2+]1 ZINC000627148057 356588524 /nfs/dbraw/zinc/58/85/24/356588524.db2.gz QTMYBNANGCEIIW-JTQLQIEISA-N 2 0 256.350 -0.502 20 0 CBADRP C[C@@H]1CN(C(=O)NCC2([NH3+])CCOCC2)[C@@H](C)C[NH2+]1 ZINC000627146880 356588642 /nfs/dbraw/zinc/58/86/42/356588642.db2.gz BUQYNWJMXBBEGT-MNOVXSKESA-N 2 0 270.377 -0.114 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)NCC2([NH3+])CCOCC2)C[NH2+]1 ZINC000627146726 356588741 /nfs/dbraw/zinc/58/87/41/356588741.db2.gz CUPPJZRBBIBNMK-QWRGUYRKSA-N 2 0 270.377 -0.066 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000627163872 356591943 /nfs/dbraw/zinc/59/19/43/356591943.db2.gz WIPSKMAHZLNGND-DMDPSCGWSA-N 2 0 270.377 -0.507 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000627171001 356592387 /nfs/dbraw/zinc/59/23/87/356592387.db2.gz NOSDKGRCRPYOJC-TXEJJXNPSA-N 2 0 270.377 -0.242 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000627170524 356592464 /nfs/dbraw/zinc/59/24/64/356592464.db2.gz BUHAKYYENYTABR-NWDGAFQWSA-N 2 0 272.393 -0.151 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000627171209 356592866 /nfs/dbraw/zinc/59/28/66/356592866.db2.gz RLNSBQHZNOULAH-GHMZBOCLSA-N 2 0 258.366 -0.386 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000627171192 356592917 /nfs/dbraw/zinc/59/29/17/356592917.db2.gz QSHHTIKKJMTJGJ-NEPJUHHUSA-N 2 0 272.393 -0.009 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000627171463 356593101 /nfs/dbraw/zinc/59/31/01/356593101.db2.gz XGDTVJXSJAMITJ-LLVKDONJSA-N 2 0 258.366 -0.384 20 0 CBADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NCCOCC[NH2+]C ZINC000627171650 356593416 /nfs/dbraw/zinc/59/34/16/356593416.db2.gz FYGYHMNNYOJBFE-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP [NH3+]CCCOCCNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000627073317 356573563 /nfs/dbraw/zinc/57/35/63/356573563.db2.gz MOFQRJRRLJNZOE-NSHDSACASA-N 2 0 258.366 -0.349 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000627072621 356573687 /nfs/dbraw/zinc/57/36/87/356573687.db2.gz CWSIXFNVECKKHC-GFCCVEGCSA-N 2 0 272.393 -0.137 20 0 CBADRP C[C@H](NC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[C@H]1CCC[NH2+]C1 ZINC000627070016 356573868 /nfs/dbraw/zinc/57/38/68/356573868.db2.gz URYLMNZAZLQEDD-RWMBFGLXSA-N 2 0 284.404 -0.260 20 0 CBADRP C[C@@H](NC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[C@H]1CCC[NH2+]C1 ZINC000627070011 356573893 /nfs/dbraw/zinc/57/38/93/356573893.db2.gz URYLMNZAZLQEDD-FRRDWIJNSA-N 2 0 284.404 -0.260 20 0 CBADRP [NH3+]C1(CNC(=O)N[C@H]2CCC[NH2+]C2)CCOCC1 ZINC000627074980 356574785 /nfs/dbraw/zinc/57/47/85/356574785.db2.gz GPOZLHPNAZXVJF-JTQLQIEISA-N 2 0 256.350 -0.455 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@H]([NH3+])C(C)C ZINC000627077242 356575341 /nfs/dbraw/zinc/57/53/41/356575341.db2.gz XWBPMZADHDOKAM-NSHDSACASA-N 2 0 260.382 -0.153 20 0 CBADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627079917 356576010 /nfs/dbraw/zinc/57/60/10/356576010.db2.gz XXWMQRMDIMYZPC-UPJWGTAASA-N 2 0 284.404 -0.130 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627079964 356576060 /nfs/dbraw/zinc/57/60/60/356576060.db2.gz MCMMKYPNJDCWFA-RYUDHWBXSA-N 2 0 272.393 -0.130 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627079966 356576673 /nfs/dbraw/zinc/57/66/73/356576673.db2.gz MCMMKYPNJDCWFA-VXGBXAGGSA-N 2 0 272.393 -0.130 20 0 CBADRP [NH3+]C[C@@H](NC(=O)NC1(C[NH3+])CCOCC1)C1CC1 ZINC000627078263 356576768 /nfs/dbraw/zinc/57/67/68/356576768.db2.gz NZXDQGZFLNOQCC-SNVBAGLBSA-N 2 0 256.350 -0.469 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000627082205 356577235 /nfs/dbraw/zinc/57/72/35/356577235.db2.gz FEWIWROEDFAVMN-LBPRGKRZSA-N 2 0 272.393 -0.138 20 0 CBADRP COCC[NH2+]CCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627082277 356577328 /nfs/dbraw/zinc/57/73/28/356577328.db2.gz HERFWXXJPADHKX-OKILXGFUSA-N 2 0 284.404 -0.137 20 0 CBADRP [NH3+][C@H](CNC(=O)NCC1([NH3+])CCOCC1)C1CC1 ZINC000627083574 356578298 /nfs/dbraw/zinc/57/82/98/356578298.db2.gz WMBLJAYSOGUIJG-SNVBAGLBSA-N 2 0 256.350 -0.469 20 0 CBADRP C[NH2+]CCOCCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000627083153 356578414 /nfs/dbraw/zinc/57/84/14/356578414.db2.gz FLAITDNAWPOQAG-UHFFFAOYSA-N 2 0 272.393 -0.089 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000627083257 356578437 /nfs/dbraw/zinc/57/84/37/356578437.db2.gz RFUFQEILNADEMG-NSHDSACASA-N 2 0 258.366 -0.399 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NCC1([NH3+])CCC1 ZINC000627083187 356578508 /nfs/dbraw/zinc/57/85/08/356578508.db2.gz GMGYCLWUVJURMM-UHFFFAOYSA-N 2 0 258.366 -0.255 20 0 CBADRP C[C@@]1(CNC(=O)NC[C@H]2COCC[NH2+]2)CCC[NH2+]C1 ZINC000627085824 356578862 /nfs/dbraw/zinc/57/88/62/356578862.db2.gz XCJFVTCDFGSLRV-WCQYABFASA-N 2 0 270.377 -0.336 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627086154 356578984 /nfs/dbraw/zinc/57/89/84/356578984.db2.gz IXTMLCSLJPGBHR-SRVKXCTJSA-N 2 0 270.377 -0.650 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000627084829 356579015 /nfs/dbraw/zinc/57/90/15/356579015.db2.gz FQZJVNSQDNJMPM-CYBMUJFWSA-N 2 0 272.393 -0.007 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627087125 356579868 /nfs/dbraw/zinc/57/98/68/356579868.db2.gz GWJJHBIYEGKYJQ-GMTAPVOTSA-N 2 0 256.350 -0.456 20 0 CBADRP [NH3+]CCCOCCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000627087374 356580150 /nfs/dbraw/zinc/58/01/50/356580150.db2.gz JAYDEEWKWXHLAF-WDEREUQCSA-N 2 0 258.366 -0.079 20 0 CBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCOCCC[NH3+] ZINC000627088349 356580530 /nfs/dbraw/zinc/58/05/30/356580530.db2.gz PZMGIRXTXAABQP-WDEREUQCSA-N 2 0 258.366 -0.351 20 0 CBADRP O=C(NCCC1=CC[NH2+]CC1)NC[C@H]1COCC[NH2+]1 ZINC000627088771 356580559 /nfs/dbraw/zinc/58/05/59/356580559.db2.gz DWFWWOOXCYHETG-LBPRGKRZSA-N 2 0 268.361 -0.416 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000627088578 356580575 /nfs/dbraw/zinc/58/05/75/356580575.db2.gz RGODVNOVFNQXSN-GHMZBOCLSA-N 2 0 258.366 -0.127 20 0 CBADRP C[C@H]1C[C@H](NC(=O)N(C)CCOCC[NH3+])CC[NH2+]1 ZINC000627089194 356580988 /nfs/dbraw/zinc/58/09/88/356580988.db2.gz KYRRDDNRMJGNDY-WDEREUQCSA-N 2 0 258.366 -0.256 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000627088692 356581063 /nfs/dbraw/zinc/58/10/63/356581063.db2.gz SJHYDBJJNVSPET-MNOVXSKESA-N 2 0 258.366 -0.480 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000627088398 356581066 /nfs/dbraw/zinc/58/10/66/356581066.db2.gz GUGBUSKRBARVIX-WDEREUQCSA-N 2 0 258.366 -0.338 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000627089720 356581622 /nfs/dbraw/zinc/58/16/22/356581622.db2.gz YYIOJXJNTFPFOO-GHMZBOCLSA-N 2 0 258.366 -0.209 20 0 CBADRP COC[C@]1(CNC(=O)N(C)CCOCC[NH3+])CCC[NH2+]1 ZINC000627092090 356581657 /nfs/dbraw/zinc/58/16/57/356581657.db2.gz LETJGHYVOPQOCK-CYBMUJFWSA-N 2 0 288.392 -0.628 20 0 CBADRP COC[C@@]1(CNC(=O)NCCOCCC[NH3+])CCC[NH2+]1 ZINC000627092539 356582007 /nfs/dbraw/zinc/58/20/07/356582007.db2.gz UWMORDIYGBZRGG-ZDUSSCGKSA-N 2 0 288.392 -0.580 20 0 CBADRP C[C@@H](CCCC[NH3+])NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627093891 356582110 /nfs/dbraw/zinc/58/21/10/356582110.db2.gz VJRJIYCUROFCTR-NWDGAFQWSA-N 2 0 272.393 -0.130 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCO2)C[NH2+]1 ZINC000627101327 356583123 /nfs/dbraw/zinc/58/31/23/356583123.db2.gz BKDQJOCULUFISR-VWYCJHECSA-N 2 0 256.350 -0.586 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000627108414 356584321 /nfs/dbraw/zinc/58/43/21/356584321.db2.gz UENCWWLVQMKKOU-WDEREUQCSA-N 2 0 260.382 -0.010 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)NCC12CC(C1)C[NH2+]2 ZINC000627115617 356585901 /nfs/dbraw/zinc/58/59/01/356585901.db2.gz CMFYWUSSPOYWGR-SQLBVSGCSA-N 2 0 254.334 -0.974 20 0 CBADRP [NH3+]C1(CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)CCCC1 ZINC000627113840 356585931 /nfs/dbraw/zinc/58/59/31/356585931.db2.gz NVBKGMDJDUFHNC-NSHDSACASA-N 2 0 270.377 -0.376 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)N(C)CCOCC[NH3+] ZINC000627116456 356586162 /nfs/dbraw/zinc/58/61/62/356586162.db2.gz KYPMKBGTGNRYSC-LLVKDONJSA-N 2 0 260.382 -0.024 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000627126444 356586683 /nfs/dbraw/zinc/58/66/83/356586683.db2.gz FYUONHYHKPMQRB-YNEHKIRRSA-N 2 0 294.399 -0.269 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627126676 356587200 /nfs/dbraw/zinc/58/72/00/356587200.db2.gz IMAQBDIVSAKZPR-LLVKDONJSA-N 2 0 270.377 -0.112 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000627218625 356608029 /nfs/dbraw/zinc/60/80/29/356608029.db2.gz AUQUMLIZXQNXFL-ZDUSSCGKSA-N 2 0 299.419 -0.959 20 0 CBADRP C[C@@H]1CN(C(=O)NCCOCCC[NH3+])[C@@H](C)C[NH2+]1 ZINC000627219092 356608052 /nfs/dbraw/zinc/60/80/52/356608052.db2.gz PHGCMXMEZDEJMU-MNOVXSKESA-N 2 0 258.366 -0.256 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCOCCC[NH3+] ZINC000627219094 356608118 /nfs/dbraw/zinc/60/81/18/356608118.db2.gz PHGCMXMEZDEJMU-WDEREUQCSA-N 2 0 258.366 -0.256 20 0 CBADRP C[C@@H]1CCN(C(=O)NCCOCCC[NH3+])C[C@H]1C[NH3+] ZINC000627219177 356608243 /nfs/dbraw/zinc/60/82/43/356608243.db2.gz RLFJAGAPHKXVTD-VXGBXAGGSA-N 2 0 272.393 -0.022 20 0 CBADRP CN(C(=O)NCCOCCC[NH3+])C1CC[NH2+]CC1 ZINC000627219013 356608323 /nfs/dbraw/zinc/60/83/23/356608323.db2.gz LKSVEKLELFFJCF-UHFFFAOYSA-N 2 0 258.366 -0.255 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)NCCOCCC[NH3+] ZINC000627218614 356608393 /nfs/dbraw/zinc/60/83/93/356608393.db2.gz AJNJHBQRQAGVMG-UHFFFAOYSA-N 2 0 260.382 -0.022 20 0 CBADRP C[C@@H]1CCN(C(=O)NCCOCCC[NH3+])C[C@@H]1C[NH3+] ZINC000627219174 356608427 /nfs/dbraw/zinc/60/84/27/356608427.db2.gz RLFJAGAPHKXVTD-NEPJUHHUSA-N 2 0 272.393 -0.022 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627219280 356608521 /nfs/dbraw/zinc/60/85/21/356608521.db2.gz UIARZILUWSRJFD-QWRGUYRKSA-N 2 0 258.366 -0.270 20 0 CBADRP C[C@H]1[NH2+]CCN(C(=O)NCCOCCC[NH3+])[C@H]1C ZINC000627219650 356609063 /nfs/dbraw/zinc/60/90/63/356609063.db2.gz ZVRKPVFRQIBQAS-MNOVXSKESA-N 2 0 258.366 -0.256 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000627245689 356610994 /nfs/dbraw/zinc/61/09/94/356610994.db2.gz RODXCQYSIBGGHS-YNEHKIRRSA-N 2 0 281.404 -0.574 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000627246282 356611151 /nfs/dbraw/zinc/61/11/51/356611151.db2.gz QJKZCCGAZDFDGS-QNWHQSFQSA-N 2 0 284.404 -0.167 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000627245944 356611203 /nfs/dbraw/zinc/61/12/03/356611203.db2.gz MKAGIXJMIFZNPP-RWMBFGLXSA-N 2 0 284.404 -0.117 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000627246121 356611257 /nfs/dbraw/zinc/61/12/57/356611257.db2.gz WJUOPHBCOFKIQD-NNYUYHANSA-N 2 0 268.361 -0.803 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000627245945 356611323 /nfs/dbraw/zinc/61/13/23/356611323.db2.gz MKAGIXJMIFZNPP-YNEHKIRRSA-N 2 0 284.404 -0.117 20 0 CBADRP C[C@@H](C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000627258748 356616354 /nfs/dbraw/zinc/61/63/54/356616354.db2.gz GPFUKRFWVZOCBB-QJPTWQEYSA-N 2 0 255.362 -0.396 20 0 CBADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@@H]1CC[NH2+]C1 ZINC000627251643 356613829 /nfs/dbraw/zinc/61/38/29/356613829.db2.gz UPBVVNSRENSTFS-NEPJUHHUSA-N 2 0 270.377 -0.506 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000627177158 356595159 /nfs/dbraw/zinc/59/51/59/356595159.db2.gz KTVHDMWEVXXRTI-UHFFFAOYSA-N 2 0 284.404 -0.040 20 0 CBADRP O=C(NCCNc1cc[nH+]cc1)NC[C@H]1COCC[NH2+]1 ZINC000627185446 356597287 /nfs/dbraw/zinc/59/72/87/356597287.db2.gz FCYFZOCJHZRREU-LBPRGKRZSA-N 2 0 279.344 -0.797 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627188706 356600266 /nfs/dbraw/zinc/60/02/66/356600266.db2.gz FLBKAWGRZZMNJW-NSHDSACASA-N 2 0 258.366 -0.432 20 0 CBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627190304 356601308 /nfs/dbraw/zinc/60/13/08/356601308.db2.gz FBXHDHYETWFMFI-RYUDHWBXSA-N 2 0 272.393 -0.010 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)NCC2(O)CC[NH+](C)CC2)C[NH2+]1 ZINC000627198174 356603787 /nfs/dbraw/zinc/60/37/87/356603787.db2.gz IQQXFDCSOSUZLZ-VXGBXAGGSA-N 2 0 284.404 -0.117 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)C[NH2+]1 ZINC000627201100 356604024 /nfs/dbraw/zinc/60/40/24/356604024.db2.gz FEQUAOCILDTEEY-NTZNESFSSA-N 2 0 272.393 -0.261 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CCO1 ZINC000627207766 356605321 /nfs/dbraw/zinc/60/53/21/356605321.db2.gz TZIUYGIDSJJFSL-RHYQMDGZSA-N 2 0 270.377 -0.116 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)C[NH2+]1 ZINC000627207832 356605388 /nfs/dbraw/zinc/60/53/88/356605388.db2.gz DELPIAAWEXTADZ-UTUOFQBUSA-N 2 0 270.377 -0.507 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C[NH2+]1 ZINC000627211040 356605899 /nfs/dbraw/zinc/60/58/99/356605899.db2.gz ZWCPRFKYQCLAMJ-MGPQQGTHSA-N 2 0 295.431 -0.184 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627349710 356630701 /nfs/dbraw/zinc/63/07/01/356630701.db2.gz WTONFCMSXDFDTO-UMNHJUIQSA-N 2 0 280.372 -0.937 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000627379869 356635770 /nfs/dbraw/zinc/63/57/70/356635770.db2.gz AACUWSXYLJQPMC-CYZMBNFOSA-N 2 0 294.399 -0.547 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000627385189 356635811 /nfs/dbraw/zinc/63/58/11/356635811.db2.gz CAEIUYLVKOWVBZ-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000627357244 356631615 /nfs/dbraw/zinc/63/16/15/356631615.db2.gz BCVFBOJNWOQCTP-LBPRGKRZSA-N 2 0 284.404 -0.358 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000627266797 356617546 /nfs/dbraw/zinc/61/75/46/356617546.db2.gz FWXXBHFQLYGCCQ-MGPQQGTHSA-N 2 0 281.400 -0.004 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627293586 356621090 /nfs/dbraw/zinc/62/10/90/356621090.db2.gz XLIKSQNLXHEDKR-LLVKDONJSA-N 2 0 268.361 -0.935 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000627377062 356635299 /nfs/dbraw/zinc/63/52/99/356635299.db2.gz XFYARMKPGNXYHN-LLVKDONJSA-N 2 0 282.388 -0.440 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)C[NH2+]1 ZINC000627304763 356622571 /nfs/dbraw/zinc/62/25/71/356622571.db2.gz DZEJIAVPZJILGW-VOAKCMCISA-N 2 0 296.415 -0.158 20 0 CBADRP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)C1=CC[N@H+](C)CC1 ZINC000627377151 356635365 /nfs/dbraw/zinc/63/53/65/356635365.db2.gz ZZGOEMNPXCFVLI-NTZNESFSSA-N 2 0 294.399 -0.380 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000627308050 356624050 /nfs/dbraw/zinc/62/40/50/356624050.db2.gz FNKQUOXVFVKJAD-UHFFFAOYSA-N 2 0 289.339 -0.242 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000627308096 356624419 /nfs/dbraw/zinc/62/44/19/356624419.db2.gz GNGGYBNJPQMAAK-YNEHKIRRSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000627319140 356625829 /nfs/dbraw/zinc/62/58/29/356625829.db2.gz KVBBVGJZCHAFQI-ZDUSSCGKSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627325803 356626701 /nfs/dbraw/zinc/62/67/01/356626701.db2.gz VCCXMINCMUGFRV-NEPJUHHUSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627325817 356626854 /nfs/dbraw/zinc/62/68/54/356626854.db2.gz VGRYWZKFBJQCQI-OUAUKWLOSA-N 2 0 270.377 -0.691 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)CCC2)C[NH2+]1 ZINC000627341959 356629160 /nfs/dbraw/zinc/62/91/60/356629160.db2.gz SJBMKIVSHVMNNS-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000627425238 356644421 /nfs/dbraw/zinc/64/44/21/356644421.db2.gz IZEVYQFQXKHYLK-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000627425232 356644453 /nfs/dbraw/zinc/64/44/53/356644453.db2.gz IXKCTUYCXQEEAO-FRRDWIJNSA-N 2 0 294.399 -0.402 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000627457149 356649304 /nfs/dbraw/zinc/64/93/04/356649304.db2.gz LYKXHLBGDMHRSO-SDDRHHMPSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627389910 356637066 /nfs/dbraw/zinc/63/70/66/356637066.db2.gz VCHBKWWMFQKOSF-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[NH+](CC)CC ZINC000627389766 356637322 /nfs/dbraw/zinc/63/73/22/356637322.db2.gz PJGGSCBYTOWVPQ-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C[NH+]1CCCC1 ZINC000627398537 356638628 /nfs/dbraw/zinc/63/86/28/356638628.db2.gz PLFQPFBCWBCEFX-VXGBXAGGSA-N 2 0 282.388 -0.687 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000627398677 356638795 /nfs/dbraw/zinc/63/87/95/356638795.db2.gz TWANVDXTVMUFGA-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000627398873 356639210 /nfs/dbraw/zinc/63/92/10/356639210.db2.gz YRVBNFHBNCKCKP-UTUOFQBUSA-N 2 0 280.372 -0.793 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627504127 356660327 /nfs/dbraw/zinc/66/03/27/356660327.db2.gz WTZBHCZQZJRXMY-XQQFMLRXSA-N 2 0 294.399 -0.593 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000627505378 356660925 /nfs/dbraw/zinc/66/09/25/356660925.db2.gz LJUNWYRFDXEUEU-UPJWGTAASA-N 2 0 294.399 -0.593 20 0 CBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000627506831 356661767 /nfs/dbraw/zinc/66/17/67/356661767.db2.gz LFILEQYNFVCRDR-YNEHKIRRSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)C[NH2+]1 ZINC000627478693 356654062 /nfs/dbraw/zinc/65/40/62/356654062.db2.gz QSHUKVFCFPDCJG-MNOVXSKESA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)N(C)CC[NH+]2CCCC2)C[NH2+]1 ZINC000627484363 356655222 /nfs/dbraw/zinc/65/52/22/356655222.db2.gz WWSBLUBTRFYHRE-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627500334 356658218 /nfs/dbraw/zinc/65/82/18/356658218.db2.gz XVZOETZATVJWNE-YNEHKIRRSA-N 2 0 296.415 -0.158 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627502155 356659138 /nfs/dbraw/zinc/65/91/38/356659138.db2.gz MKHXDRLDBWSBRN-QJPTWQEYSA-N 2 0 282.388 -0.547 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000627503784 356659606 /nfs/dbraw/zinc/65/96/06/356659606.db2.gz BRSSBHIIIXGGGG-OLZOCXBDSA-N 2 0 294.399 -0.449 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627653657 356668523 /nfs/dbraw/zinc/66/85/23/356668523.db2.gz WJFJTQBWOXWAHJ-IGQOVBAYSA-N 2 0 281.400 -0.027 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423520269 283217538 /nfs/dbraw/zinc/21/75/38/283217538.db2.gz RDHHQYPYKSMUMN-LBPRGKRZSA-N 2 0 284.404 -0.264 20 0 CBADRP Nc1ncccc1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000629513739 356775783 /nfs/dbraw/zinc/77/57/83/356775783.db2.gz VCHWAPDSQGEWKQ-GFCCVEGCSA-N 2 0 277.372 -0.049 20 0 CBADRP C[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)C1C[NH2+]C1 ZINC000629515542 356775850 /nfs/dbraw/zinc/77/58/50/356775850.db2.gz RLYVMLAPHSHLIB-JQWIXIFHSA-N 2 0 254.378 -0.476 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCN[C@@H]1CCC[C@H]1[NH3+] ZINC000629512185 356776173 /nfs/dbraw/zinc/77/61/73/356776173.db2.gz BKLNIQPWLYAJDQ-UTUOFQBUSA-N 2 0 254.378 -0.204 20 0 CBADRP CCOC[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000629656288 356789045 /nfs/dbraw/zinc/78/90/45/356789045.db2.gz PCJBBXBJILUMHK-KBPBESRZSA-N 2 0 299.415 -0.079 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000629652675 356789139 /nfs/dbraw/zinc/78/91/39/356789139.db2.gz BXCPYLYIVDFOQQ-RWMBFGLXSA-N 3 0 268.405 -0.086 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC[N@H+](CC)CC1 ZINC000629788197 356792624 /nfs/dbraw/zinc/79/26/24/356792624.db2.gz NHMGZIKEDIQAES-UHFFFAOYSA-N 2 0 270.377 -0.652 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000629790295 356793317 /nfs/dbraw/zinc/79/33/17/356793317.db2.gz CPVHNJXQEOOZQG-LBPRGKRZSA-N 2 0 284.404 -0.406 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000629794743 356793452 /nfs/dbraw/zinc/79/34/52/356793452.db2.gz CQRBRVBJOWTRLI-NSHDSACASA-N 2 0 270.377 -0.654 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000629794969 356793619 /nfs/dbraw/zinc/79/36/19/356793619.db2.gz XJQLMASEBHVKMN-CYBMUJFWSA-N 2 0 296.415 -0.120 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000629795961 356794295 /nfs/dbraw/zinc/79/42/95/356794295.db2.gz NJLHONWSIUKCMG-LBPRGKRZSA-N 2 0 282.388 -0.510 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000629798819 356795143 /nfs/dbraw/zinc/79/51/43/356795143.db2.gz LGYYMTXABFQPRV-NEPJUHHUSA-N 2 0 284.404 -0.408 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000629798847 356795516 /nfs/dbraw/zinc/79/55/16/356795516.db2.gz LSQHJNDNRLSSBN-QWHCGFSZSA-N 2 0 298.431 -0.018 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000629798846 356795628 /nfs/dbraw/zinc/79/56/28/356795628.db2.gz LSQHJNDNRLSSBN-OLZOCXBDSA-N 2 0 298.431 -0.018 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000629802454 356796035 /nfs/dbraw/zinc/79/60/35/356796035.db2.gz IBFINVUJRNDZQU-UHFFFAOYSA-N 2 0 284.404 -0.264 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000629801884 356796452 /nfs/dbraw/zinc/79/64/52/356796452.db2.gz DAXXVQFKUNMTSS-NWDGAFQWSA-N 2 0 282.388 -0.654 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000629812923 356798583 /nfs/dbraw/zinc/79/85/83/356798583.db2.gz XQBYNJDKUWPYME-AWEZNQCLSA-N 2 0 282.388 -0.652 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000629812153 356798678 /nfs/dbraw/zinc/79/86/78/356798678.db2.gz MXQOFIPLGDRAJL-OAHLLOKOSA-N 2 0 296.415 -0.262 20 0 CBADRP C[NH+](C)CC[C@](C)(O)CNC(=O)C1([NH+](C)C)CC1 ZINC000629986058 356814414 /nfs/dbraw/zinc/81/44/14/356814414.db2.gz XZGDURRAQVYIEA-LBPRGKRZSA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@H+](CC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)C1CCC1 ZINC000630015955 356817640 /nfs/dbraw/zinc/81/76/40/356817640.db2.gz AUETZDBZHZDVTH-QWHCGFSZSA-N 2 0 267.373 -0.252 20 0 CBADRP C[N@H+](CCOCC[NH3+])CCN1C(=O)NC2(CCCC2)C1=O ZINC000629577828 356781617 /nfs/dbraw/zinc/78/16/17/356781617.db2.gz CYGRYLLXZXKXSH-UHFFFAOYSA-N 2 0 298.387 -0.242 20 0 CBADRP O[C@H](C[NH2+][C@H]1CCc2nnnn2CC1)C[NH+]1CCCC1 ZINC000629579236 356782826 /nfs/dbraw/zinc/78/28/26/356782826.db2.gz CHRMXZKSRMFFRY-NWDGAFQWSA-N 2 0 280.376 -0.576 20 0 CBADRP NC(=O)CC1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629579258 356782836 /nfs/dbraw/zinc/78/28/36/356782836.db2.gz CWYICPZHEMHSAF-NSHDSACASA-N 2 0 255.362 -0.312 20 0 CBADRP OCC1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CCOCC1 ZINC000629583623 356783414 /nfs/dbraw/zinc/78/34/14/356783414.db2.gz GKNMJUGJNBPNBQ-ZDUSSCGKSA-N 2 0 272.389 -0.178 20 0 CBADRP O[C@H](C[NH2+]C[C@@H](O)C1CCOCC1)C[NH+]1CCCC1 ZINC000629584201 356783425 /nfs/dbraw/zinc/78/34/25/356783425.db2.gz RBEOQHRMZTWWQT-ZIAGYGMSSA-N 2 0 272.389 -0.180 20 0 CBADRP OCC[N@@H+]1CCCC[C@@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000629585034 356783510 /nfs/dbraw/zinc/78/35/10/356783510.db2.gz YKCIRKOJKCHCDY-CABCVRRESA-N 2 0 285.432 -0.121 20 0 CBADRP OC[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)[C@H]1CCOC1 ZINC000629583525 356784135 /nfs/dbraw/zinc/78/41/35/356784135.db2.gz BTYYEIGUDHFATK-IHRRRGAJSA-N 2 0 272.389 -0.322 20 0 CBADRP OCC[C@@]1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CCOC1 ZINC000629583741 356784207 /nfs/dbraw/zinc/78/42/07/356784207.db2.gz DNUHQFDLDMDPHQ-KBPBESRZSA-N 2 0 272.389 -0.178 20 0 CBADRP CNS(=O)(=O)C[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000629595710 356784967 /nfs/dbraw/zinc/78/49/67/356784967.db2.gz VINGYSBNAJCYJL-NSHDSACASA-N 2 0 279.406 -0.777 20 0 CBADRP OC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@H]1CCCOC1 ZINC000629598099 356785122 /nfs/dbraw/zinc/78/51/22/356785122.db2.gz WBMZACILBIDCTC-IHRRRGAJSA-N 2 0 272.389 -0.180 20 0 CBADRP CC(=O)NC[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000629595262 356785161 /nfs/dbraw/zinc/78/51/61/356785161.db2.gz LSYMGTNATLSLJL-CQSZACIVSA-N 2 0 296.415 -0.201 20 0 CBADRP COCC[N@H+](C)CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630897124 356866919 /nfs/dbraw/zinc/86/69/19/356866919.db2.gz VWWLUHCCJYZZJP-UHFFFAOYSA-N 2 0 297.403 -0.247 20 0 CBADRP O=C(NCC[NH+]1CCC1)NCC[N@@H+]1CCCOCC1 ZINC000630343200 356835859 /nfs/dbraw/zinc/83/58/59/356835859.db2.gz FHBQMCJNBICSDP-UHFFFAOYSA-N 2 0 270.377 -0.286 20 0 CBADRP CN(CCC[NH3+])Cc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630605551 356854401 /nfs/dbraw/zinc/85/44/01/356854401.db2.gz LKIPSZQJFIBTSK-LLVKDONJSA-N 2 0 252.366 -0.189 20 0 CBADRP c1c([C@@H]2CCC[NH2+]C2)nnn1C[C@H]1C[NH2+]CCO1 ZINC000630616673 356855308 /nfs/dbraw/zinc/85/53/08/356855308.db2.gz MRFIXAIRZBWAGH-GHMZBOCLSA-N 2 0 251.334 -0.267 20 0 CBADRP COC[C@H]([NH3+])Cc1cn(CC[NH+]2CCCC2)nn1 ZINC000630618061 356856291 /nfs/dbraw/zinc/85/62/91/356856291.db2.gz LMPJPYQKUYUJQT-LLVKDONJSA-N 2 0 253.350 -0.110 20 0 CBADRP CN1CCC[C@H](NS(=O)(=O)CCC[NH+](C)C)C1 ZINC000631783733 356906847 /nfs/dbraw/zinc/90/68/47/356906847.db2.gz DHSKQJBVAZIPPR-NSHDSACASA-N 2 0 263.407 -0.048 20 0 CBADRP COCc1ncc2c(n1)CC[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000631835304 356910595 /nfs/dbraw/zinc/91/05/95/356910595.db2.gz RJVRVTHIXXNSJP-UHFFFAOYSA-N 2 0 291.399 -0.114 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CCCC[NH2+]1 ZINC000631901923 356918267 /nfs/dbraw/zinc/91/82/67/356918267.db2.gz BYXKTBXZPVEMQZ-MNOVXSKESA-N 2 0 277.390 -0.964 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000631901295 356918290 /nfs/dbraw/zinc/91/82/90/356918290.db2.gz YDQJKZNBRQAVNW-UHFFFAOYSA-N 2 0 263.407 -0.061 20 0 CBADRP [NH3+][C@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000631903722 356919300 /nfs/dbraw/zinc/91/93/00/356919300.db2.gz SFZWDVQZZYTFBX-CHWSQXEVSA-N 2 0 299.396 -0.406 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000631903473 356919490 /nfs/dbraw/zinc/91/94/90/356919490.db2.gz KBCJWTSXCVPLCX-JTQLQIEISA-N 2 0 276.406 -0.743 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[NH2+]CC1(C)C ZINC000631906579 356921268 /nfs/dbraw/zinc/92/12/68/356921268.db2.gz QDFBVHIFSBMXEU-UHFFFAOYSA-N 2 0 290.433 -0.401 20 0 CBADRP CCC([NH3+])(CC)CNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631906077 356921378 /nfs/dbraw/zinc/92/13/78/356921378.db2.gz BTTDEQMXDMFSOC-SNVBAGLBSA-N 2 0 279.406 -0.588 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631907490 356921402 /nfs/dbraw/zinc/92/14/02/356921402.db2.gz LTVYWAOJHWWRIP-LBPRGKRZSA-N 2 0 290.433 -0.401 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)N(C)C2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000631932918 356926095 /nfs/dbraw/zinc/92/60/95/356926095.db2.gz VQVAKJAEPDLHBQ-MWLCHTKSSA-N 2 0 276.406 -0.806 20 0 CBADRP C[C@@H]1C[C@H](NS(=O)(=O)CCC[NH+](C)C)CC[NH2+]1 ZINC000631932310 356926101 /nfs/dbraw/zinc/92/61/01/356926101.db2.gz NIIXYUPKHFBCMZ-GHMZBOCLSA-N 2 0 263.407 -0.002 20 0 CBADRP C[C@@H]1C[C@@H](NS(=O)(=O)CCC[NH+](C)C)CC[NH2+]1 ZINC000631932316 356926252 /nfs/dbraw/zinc/92/62/52/356926252.db2.gz NIIXYUPKHFBCMZ-MNOVXSKESA-N 2 0 263.407 -0.002 20 0 CBADRP CC1(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[NH2+]CC1 ZINC000631933692 356926357 /nfs/dbraw/zinc/92/63/57/356926357.db2.gz RUAVBPVVAXPOTF-NSHDSACASA-N 2 0 291.417 -0.716 20 0 CBADRP [NH3+]C[C@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)C1CCCC1 ZINC000631932415 356926374 /nfs/dbraw/zinc/92/63/74/356926374.db2.gz OPEIDQCXOYMFOJ-RYUDHWBXSA-N 2 0 291.417 -0.588 20 0 CBADRP C[C@H](CCCC[NH3+])NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631939247 356928871 /nfs/dbraw/zinc/92/88/71/356928871.db2.gz WCOWZXNAPNCBKY-GHMZBOCLSA-N 2 0 279.406 -0.588 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000631938798 356928947 /nfs/dbraw/zinc/92/89/47/356928947.db2.gz MMNKWHXALZFHKQ-LLVKDONJSA-N 2 0 275.418 0.000 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCCC[C@@H]1CCC[NH2+]1 ZINC000631940862 356929529 /nfs/dbraw/zinc/92/95/29/356929529.db2.gz IFRUWSWLSXSRCF-RYUDHWBXSA-N 2 0 291.417 -0.574 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631942109 356929695 /nfs/dbraw/zinc/92/96/95/356929695.db2.gz PNOOUZHAXNLLSY-OUAUKWLOSA-N 2 0 277.390 -0.978 20 0 CBADRP C[C@@H]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C[C@@H]1C[NH3+] ZINC000631944111 356930261 /nfs/dbraw/zinc/93/02/61/356930261.db2.gz ONRUUBHEKHFNKQ-GRYCIOLGSA-N 2 0 291.417 -0.779 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCCC1CC[NH2+]CC1 ZINC000631948302 356931449 /nfs/dbraw/zinc/93/14/49/356931449.db2.gz CCUPNFYSTZDGHH-LBPRGKRZSA-N 2 0 291.417 -0.716 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631949315 356932186 /nfs/dbraw/zinc/93/21/86/356932186.db2.gz ZXXMYGRVIVOAFR-GMTAPVOTSA-N 2 0 277.390 -0.884 20 0 CBADRP C[NH2+]C[C@H](C)NS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631952619 356932538 /nfs/dbraw/zinc/93/25/38/356932538.db2.gz NXZZTLJSANDHQC-NSHDSACASA-N 2 0 263.407 0.000 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC000631952895 356932689 /nfs/dbraw/zinc/93/26/89/356932689.db2.gz WRCYHSGRGYRARP-UHFFFAOYSA-N 2 0 288.417 -0.743 20 0 CBADRP [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)C[C@@H]1C[NH2+]CCO1)C2 ZINC000631953830 356933820 /nfs/dbraw/zinc/93/38/20/356933820.db2.gz TXWNKRHDSRLEPH-SRVKXCTJSA-N 2 0 289.401 -0.882 20 0 CBADRP C[C@@H]1CC[C@@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C[NH2+]1 ZINC000631955148 356934007 /nfs/dbraw/zinc/93/40/07/356934007.db2.gz FJRBWKGRKWTIQN-MXWKQRLJSA-N 2 0 277.390 -0.965 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631974747 356937932 /nfs/dbraw/zinc/93/79/32/356937932.db2.gz ZBHZNXXOFPRLGE-VHSXEESVSA-N 2 0 276.406 -0.664 20 0 CBADRP C[NH+](C)CCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631639031 356898548 /nfs/dbraw/zinc/89/85/48/356898548.db2.gz IXINPMHAKOPADT-UHFFFAOYSA-N 2 0 263.407 -0.047 20 0 CBADRP C[C@@H](C[NH+](C)C)NS(=O)(=O)CCC[NH+](C)C ZINC000632337370 356974958 /nfs/dbraw/zinc/97/49/58/356974958.db2.gz MZESHQXYDHUFLH-JTQLQIEISA-N 2 0 251.396 -0.192 20 0 CBADRP C[C@@H](CNS(=O)(=O)CCC[NH+](C)C)[NH+](C)C ZINC000632417065 356985542 /nfs/dbraw/zinc/98/55/42/356985542.db2.gz CJFNASAPFWTVFC-JTQLQIEISA-N 2 0 251.396 -0.192 20 0 CBADRP C[C@@H](CNS(=O)(=O)C[C@H]1CN(C)CCO1)[NH+](C)C ZINC000632417862 356986297 /nfs/dbraw/zinc/98/62/97/356986297.db2.gz PDUWTCSSAPAUCZ-WDEREUQCSA-N 2 0 279.406 -0.814 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632879449 357029884 /nfs/dbraw/zinc/02/98/84/357029884.db2.gz SVLWCSGSOJINPL-XQQFMLRXSA-N 2 0 267.373 -0.035 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633106066 357047004 /nfs/dbraw/zinc/04/70/04/357047004.db2.gz GPEVPHWCTRGJKZ-XQQFMLRXSA-N 2 0 294.399 -0.498 20 0 CBADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)C2)C1 ZINC000633115044 357048683 /nfs/dbraw/zinc/04/86/83/357048683.db2.gz LPZZJGMSIAISHL-HUBLWGQQSA-N 2 0 292.383 -0.887 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000633115445 357049647 /nfs/dbraw/zinc/04/96/47/357049647.db2.gz JTXIYESFWOCOEX-DGCLKSJQSA-N 2 0 296.415 -0.265 20 0 CBADRP O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000633115959 357049704 /nfs/dbraw/zinc/04/97/04/357049704.db2.gz ZAKFZXLXBBOTBO-XQQFMLRXSA-N 2 0 290.367 -0.968 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000633116747 357050054 /nfs/dbraw/zinc/05/00/54/357050054.db2.gz WZWLINKEKLXDTQ-UPJWGTAASA-N 2 0 294.399 -0.369 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000633117205 357050080 /nfs/dbraw/zinc/05/00/80/357050080.db2.gz AWHNWZOSWYDVAO-GHMZBOCLSA-N 2 0 282.388 -0.513 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)C1 ZINC000633119639 357050738 /nfs/dbraw/zinc/05/07/38/357050738.db2.gz QCOAUFLYNNRQTE-RWMBFGLXSA-N 2 0 296.415 -0.077 20 0 CBADRP O=C(NC[C@@H]1CCCC[NH2+]1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000634269410 357112837 /nfs/dbraw/zinc/11/28/37/357112837.db2.gz GIOPNSXTAQRTRP-KBPBESRZSA-N 2 0 295.431 -0.182 20 0 CBADRP O=C(NC[C@@H]1CCCC[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000634270773 357113733 /nfs/dbraw/zinc/11/37/33/357113733.db2.gz PPNMGLQVPJTQLG-UONOGXRCSA-N 2 0 295.431 -0.182 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634744394 357132378 /nfs/dbraw/zinc/13/23/78/357132378.db2.gz XEJHCVBYWPBZOJ-WCFLWFBJSA-N 2 0 255.362 -0.192 20 0 CBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000634765641 357134055 /nfs/dbraw/zinc/13/40/55/357134055.db2.gz XZEWIYWKEWUKHP-LBPRGKRZSA-N 2 0 268.405 -0.214 20 0 CBADRP CC1(OCC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)C[NH2+]C1 ZINC000634768384 357134117 /nfs/dbraw/zinc/13/41/17/357134117.db2.gz ICOPBQYIUVGRKY-MFKMUULPSA-N 2 0 253.346 -0.377 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000634763903 357134434 /nfs/dbraw/zinc/13/44/34/357134434.db2.gz GPYZGWWNOJQNIC-SNVBAGLBSA-N 2 0 280.376 -0.255 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768421 357134466 /nfs/dbraw/zinc/13/44/66/357134466.db2.gz JIRLBSUDRKSWTA-OSMZGAPFSA-N 2 0 282.388 -0.656 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)nn1 ZINC000634769692 357134776 /nfs/dbraw/zinc/13/47/76/357134776.db2.gz KTRUQXRTTOULQX-SKDRFNHKSA-N 2 0 264.333 -0.891 20 0 CBADRP OC(C[NH+]1C[C@@H]2COC[C@@H]2C1)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779980 357136600 /nfs/dbraw/zinc/13/66/00/357136600.db2.gz OCZXNTQZYQZLLR-KPWCQOOUSA-N 2 0 282.384 -0.496 20 0 CBADRP CNS(=O)(=O)CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000635005154 357141934 /nfs/dbraw/zinc/14/19/34/357141934.db2.gz HDLIBCUWOZJRPO-GRYCIOLGSA-N 2 0 275.418 -0.097 20 0 CBADRP CNS(=O)(=O)CCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000635003665 357142116 /nfs/dbraw/zinc/14/21/16/357142116.db2.gz APSVRCSPMISJNS-WDEREUQCSA-N 2 0 263.407 -0.097 20 0 CBADRP C[C@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1C[NH3+] ZINC000634999364 357142189 /nfs/dbraw/zinc/14/21/89/357142189.db2.gz SZFBSIYAISHJBU-VHSXEESVSA-N 2 0 266.345 -0.889 20 0 CBADRP C[C@@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1C[NH3+] ZINC000634999362 357142352 /nfs/dbraw/zinc/14/23/52/357142352.db2.gz SZFBSIYAISHJBU-NXEZZACHSA-N 2 0 266.345 -0.889 20 0 CBADRP C[C@H](C(=O)NC[C@@H](NC(=O)[C@@H](C)[NH+](C)C)C1CC1)[NH+](C)C ZINC000635463538 357165317 /nfs/dbraw/zinc/16/53/17/357165317.db2.gz QMIRWSZZPMOZEB-NQBHXWOUSA-N 2 0 298.431 -0.102 20 0 CBADRP C[C@H](C(=O)NCCN(C(=O)[C@@H](C)[NH+](C)C)C1CC1)[NH+](C)C ZINC000635467982 357165906 /nfs/dbraw/zinc/16/59/06/357165906.db2.gz RQXHTBJMJKEZPD-VXGBXAGGSA-N 2 0 298.431 -0.006 20 0 CBADRP Cn1cnc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1=O ZINC000635502603 357170473 /nfs/dbraw/zinc/17/04/73/357170473.db2.gz ILYJAISDMAHYHD-UHFFFAOYSA-N 2 0 295.387 -0.654 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)[C@@H](C)O1 ZINC000634726913 357129785 /nfs/dbraw/zinc/12/97/85/357129785.db2.gz GGGTUJDUAYKOQK-MQYQWHSLSA-N 2 0 271.405 -0.250 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)[C@@H](C)O1 ZINC000634726916 357130091 /nfs/dbraw/zinc/13/00/91/357130091.db2.gz GGGTUJDUAYKOQK-SYQHCUMBSA-N 2 0 271.405 -0.250 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000634730423 357131006 /nfs/dbraw/zinc/13/10/06/357131006.db2.gz FWSVTRLROIGXPW-MJBXVCDLSA-N 2 0 271.405 -0.512 20 0 CBADRP C[C@H](C(=O)NCC1(NC(=O)[C@@H](C)[NH+](C)C)CC1)[NH+](C)C ZINC000635864194 357221012 /nfs/dbraw/zinc/22/10/12/357221012.db2.gz BQNVPUDUUGPXLN-GHMZBOCLSA-N 2 0 284.404 -0.348 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000635900880 357228004 /nfs/dbraw/zinc/22/80/04/357228004.db2.gz YOLDYDSPPXVUOH-ZIAGYGMSSA-N 2 0 280.416 -0.166 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000635928431 357234743 /nfs/dbraw/zinc/23/47/43/357234743.db2.gz GHXHJHYGGWPXIK-MGPQQGTHSA-N 2 0 281.400 -0.004 20 0 CBADRP C[NH+](C)C[C@H](CO)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000635929700 357235427 /nfs/dbraw/zinc/23/54/27/357235427.db2.gz XNIMOBMNGWDDQJ-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000636581248 357290373 /nfs/dbraw/zinc/29/03/73/357290373.db2.gz XBNPICRBJDGWTR-JSGCOSHPSA-N 2 0 296.415 -0.164 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000636791363 357303504 /nfs/dbraw/zinc/30/35/04/357303504.db2.gz VUDAUNYHKSBUSX-YPMHNXCESA-N 2 0 282.388 -0.411 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000636791361 357303843 /nfs/dbraw/zinc/30/38/43/357303843.db2.gz VUDAUNYHKSBUSX-DGCLKSJQSA-N 2 0 282.388 -0.411 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000636140053 357267717 /nfs/dbraw/zinc/26/77/17/357267717.db2.gz MFDIPOCMKKXFOA-FRRDWIJNSA-N 2 0 267.373 -0.394 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000636257066 357274439 /nfs/dbraw/zinc/27/44/39/357274439.db2.gz ZTWMSXUUFAURPY-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP CN1CCOC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636278938 357275938 /nfs/dbraw/zinc/27/59/38/357275938.db2.gz CHVQUOZPLQDEQI-NWDGAFQWSA-N 2 0 255.362 -0.225 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000637814186 357369458 /nfs/dbraw/zinc/36/94/58/357369458.db2.gz IRIAFMUTQBSLSN-GVXVVHGQSA-N 2 0 255.362 -0.131 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000637820851 357370356 /nfs/dbraw/zinc/37/03/56/357370356.db2.gz JQWVOTXAZBISST-QWHCGFSZSA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@H](NC(=O)CN1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000637820959 357370934 /nfs/dbraw/zinc/37/09/34/357370934.db2.gz RTXUVXVITFUOBS-NWDGAFQWSA-N 2 0 254.378 -0.604 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000637816632 357371065 /nfs/dbraw/zinc/37/10/65/357371065.db2.gz JUISCSAOBXKGDO-NSHDSACASA-N 2 0 265.361 -0.121 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)C1 ZINC000637823353 357371352 /nfs/dbraw/zinc/37/13/52/357371352.db2.gz RKJVSDONNNOYLM-NTZNESFSSA-N 2 0 255.362 -0.036 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)C1 ZINC000637823354 357371758 /nfs/dbraw/zinc/37/17/58/357371758.db2.gz RKJVSDONNNOYLM-WZRBSPASSA-N 2 0 255.362 -0.036 20 0 CBADRP COC[C@]1(C(=O)N(C)CCN2CC[NH2+]CC2)CCCC[NH2+]1 ZINC000637832193 357372967 /nfs/dbraw/zinc/37/29/67/357372967.db2.gz FYECUMCKAGDQKO-HNNXBMFYSA-N 2 0 298.431 -0.491 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NCC[NH2+]C2CC2)cn1 ZINC000637828990 357373165 /nfs/dbraw/zinc/37/31/65/357373165.db2.gz VEDUCRMPDNIPLY-UHFFFAOYSA-N 2 0 265.361 -0.074 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)CCN2CC[NH2+]CC2)C1 ZINC000637833437 357374066 /nfs/dbraw/zinc/37/40/66/357374066.db2.gz RQQQKVYDFDRZIC-GXTWGEPZSA-N 2 0 284.404 -0.883 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000637835060 357374247 /nfs/dbraw/zinc/37/42/47/357374247.db2.gz JPCJVVWYSCISDQ-KGLIPLIRSA-N 2 0 296.415 -0.787 20 0 CBADRP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000636912582 357311490 /nfs/dbraw/zinc/31/14/90/357311490.db2.gz KGWXIQCNNNCLRY-JHJVBQTASA-N 2 0 284.404 -0.308 20 0 CBADRP COC[C@@]1(C(=O)N2CC[NH2+][C@H](C)C2)CCCC[NH2+]1 ZINC000637839998 357374892 /nfs/dbraw/zinc/37/48/92/357374892.db2.gz HESRAGWHLZWFFG-DGCLKSJQSA-N 2 0 255.362 -0.035 20 0 CBADRP COC[C@@]1(C(=O)N2CC[NH2+][C@@H](C)C2)CCCC[NH2+]1 ZINC000637839999 357375143 /nfs/dbraw/zinc/37/51/43/357375143.db2.gz HESRAGWHLZWFFG-WCQYABFASA-N 2 0 255.362 -0.035 20 0 CBADRP COC[C@]1(C(=O)N2CC[NH2+][C@H](C)C2)CCCC[NH2+]1 ZINC000637840000 357375161 /nfs/dbraw/zinc/37/51/61/357375161.db2.gz HESRAGWHLZWFFG-YPMHNXCESA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1CCc2[nH]cnc2C1 ZINC000637157300 357326878 /nfs/dbraw/zinc/32/68/78/357326878.db2.gz SNPIRDBTCNZAHV-MNOVXSKESA-N 2 0 293.371 -0.367 20 0 CBADRP C[C@@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+](C)C ZINC000637195850 357330141 /nfs/dbraw/zinc/33/01/41/357330141.db2.gz HQQLDYVHFUUKOD-QWRGUYRKSA-N 2 0 258.366 -0.698 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000637379419 357341709 /nfs/dbraw/zinc/34/17/09/357341709.db2.gz OPABWNVGGFSJDO-FRRDWIJNSA-N 2 0 282.388 -0.459 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]2(C[NH3+])CCCOC2)CC[C@H]1[NH3+] ZINC000637844549 357376280 /nfs/dbraw/zinc/37/62/80/357376280.db2.gz ISMBHTSVWLGYRP-WZRBSPASSA-N 2 0 255.362 -0.062 20 0 CBADRP CN(CCC[NH3+])C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000637852663 357377010 /nfs/dbraw/zinc/37/70/10/357377010.db2.gz GNQNCPVSKBNSTA-UHFFFAOYSA-N 2 0 253.350 -0.135 20 0 CBADRP [NH3+][C@@H]1CC=C(C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000637797336 357364308 /nfs/dbraw/zinc/36/43/08/357364308.db2.gz DJNZGQAPYOZCPS-GFCCVEGCSA-N 2 0 252.362 -0.555 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000637799296 357365511 /nfs/dbraw/zinc/36/55/11/357365511.db2.gz XHSUTTGOZLUFEN-OCCSQVGLSA-N 2 0 284.404 -0.835 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000637800117 357365670 /nfs/dbraw/zinc/36/56/70/357365670.db2.gz YKFZTXDUSZDKJB-WCQYABFASA-N 2 0 255.362 -0.177 20 0 CBADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000637804940 357366473 /nfs/dbraw/zinc/36/64/73/357366473.db2.gz UKECHWKWHGJFDS-DMDPSCGWSA-N 2 0 279.340 -0.073 20 0 CBADRP [NH3+]CC1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000637803693 357366610 /nfs/dbraw/zinc/36/66/10/357366610.db2.gz GCMBSJSHNCNSKF-ZDUSSCGKSA-N 2 0 255.362 -0.061 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CN1CC[NH2+]CC1 ZINC000637806402 357367914 /nfs/dbraw/zinc/36/79/14/357367914.db2.gz RVBTTWBCXJVUBM-VXGBXAGGSA-N 2 0 254.378 -0.380 20 0 CBADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C1 ZINC000637811488 357368584 /nfs/dbraw/zinc/36/85/84/357368584.db2.gz MFKOGCVFGJJSNJ-KBPBESRZSA-N 2 0 276.384 -0.076 20 0 CBADRP Cc1cc(C[NH3+])oc1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000637810397 357368928 /nfs/dbraw/zinc/36/89/28/357368928.db2.gz LEJKZSUQTQVJRS-UHFFFAOYSA-N 2 0 294.355 -0.449 20 0 CBADRP [NH3+]CC[C@H]1CCCCN1C(=O)CN1CC[NH2+]CC1 ZINC000638232177 357440558 /nfs/dbraw/zinc/44/05/58/357440558.db2.gz DTAOHCQWTCZNTF-GFCCVEGCSA-N 2 0 254.378 -0.379 20 0 CBADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638243932 357441853 /nfs/dbraw/zinc/44/18/53/357441853.db2.gz FESUBEFJOGDKRS-BARDWOONSA-N 2 0 288.395 -0.220 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000638243033 357441968 /nfs/dbraw/zinc/44/19/68/357441968.db2.gz JQKLFJTYOBKZIN-HHHUOAJASA-N 2 0 251.330 -0.816 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NC2CC[NH+](C)CC2)C1 ZINC000638049883 357406710 /nfs/dbraw/zinc/40/67/10/357406710.db2.gz HVMGNTDPXYCLCL-DGCLKSJQSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC000638060726 357407040 /nfs/dbraw/zinc/40/70/40/357407040.db2.gz PPIZMTZYLKORQI-QNWHQSFQSA-N 2 0 285.388 -0.282 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)[C@@]2(C)C[NH2+]CCO2)CCSC1 ZINC000638068683 357408684 /nfs/dbraw/zinc/40/86/84/357408684.db2.gz KMJIBTOAQJMOGI-OLZOCXBDSA-N 2 0 287.429 -0.082 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000638066376 357408977 /nfs/dbraw/zinc/40/89/77/357408977.db2.gz HNVKVYQLSMDKBL-KGLIPLIRSA-N 2 0 297.399 -0.327 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638071161 357409478 /nfs/dbraw/zinc/40/94/78/357409478.db2.gz GFTROFYLTPWOMF-CYBMUJFWSA-N 2 0 273.377 -0.551 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)c1cnc(C[NH3+])nc1 ZINC000638071145 357410143 /nfs/dbraw/zinc/41/01/43/357410143.db2.gz FTJNPKNMIIVYEF-UHFFFAOYSA-N 2 0 281.360 -0.367 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000638075065 357410958 /nfs/dbraw/zinc/41/09/58/357410958.db2.gz PXNIGZKOAXXJLP-WYUUTHIRSA-N 2 0 253.346 -0.154 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638073234 357411222 /nfs/dbraw/zinc/41/12/22/357411222.db2.gz SSKWQCVELFHIFB-AAEUAGOBSA-N 2 0 255.362 -0.190 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638079938 357412312 /nfs/dbraw/zinc/41/23/12/357412312.db2.gz XHRBLLGHVVGWQA-OAHLLOKOSA-N 2 0 299.415 -0.031 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638078718 357412750 /nfs/dbraw/zinc/41/27/50/357412750.db2.gz MTNVFVVVZHPYNJ-WCQYABFASA-N 2 0 255.362 -0.048 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638090921 357414156 /nfs/dbraw/zinc/41/41/56/357414156.db2.gz IWSNMZIWECFPPD-AAEUAGOBSA-N 2 0 273.377 -0.552 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(COC)CCCC[NH2+]2)C1 ZINC000638100838 357416641 /nfs/dbraw/zinc/41/66/41/357416641.db2.gz MWVVRTAAABDXAX-UKRRQHHQSA-N 2 0 299.415 -0.018 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638100125 357417360 /nfs/dbraw/zinc/41/73/60/357417360.db2.gz OZJSMKHNKRAHQF-OCCSQVGLSA-N 2 0 285.388 -0.408 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC000638098909 357417433 /nfs/dbraw/zinc/41/74/33/357417433.db2.gz FAYFOTAWEJBBML-GFCCVEGCSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@]1(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[NH2+]CCO1 ZINC000638102659 357418445 /nfs/dbraw/zinc/41/84/45/357418445.db2.gz WHPNIRNFIJBBIY-JSGCOSHPSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000638117950 357420548 /nfs/dbraw/zinc/42/05/48/357420548.db2.gz PWMSOTZDJCTPIX-KGLIPLIRSA-N 2 0 298.431 -0.493 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)CN1CC[NH2+]CC1 ZINC000638115599 357421019 /nfs/dbraw/zinc/42/10/19/357421019.db2.gz IUFPCXGMDVPGFH-CYBMUJFWSA-N 2 0 268.405 -0.118 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638123566 357422017 /nfs/dbraw/zinc/42/20/17/357422017.db2.gz PUXSTEGOEMQPSN-AWEZNQCLSA-N 2 0 287.404 -0.174 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000638120733 357422276 /nfs/dbraw/zinc/42/22/76/357422276.db2.gz CAQBKOWRHCPDDT-CQSZACIVSA-N 2 0 280.416 -0.164 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)CN1CC[NH2+]CC1 ZINC000638129778 357423056 /nfs/dbraw/zinc/42/30/56/357423056.db2.gz DUIPYTHAEQEHJZ-ZDUSSCGKSA-N 2 0 286.420 -0.635 20 0 CBADRP COC1CC[NH+](CCNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638126745 357423435 /nfs/dbraw/zinc/42/34/35/357423435.db2.gz ZBSZZXNWMWAREC-UHFFFAOYSA-N 2 0 284.404 -0.881 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638134024 357423580 /nfs/dbraw/zinc/42/35/80/357423580.db2.gz LBNJGQRYYBAEQF-QKCSRTOESA-N 2 0 267.373 -0.036 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638137785 357423777 /nfs/dbraw/zinc/42/37/77/357423777.db2.gz NMIMBRACLBGVRZ-HIFRSBDPSA-N 2 0 298.431 -0.493 20 0 CBADRP COC[C@]1(C(=O)NCCN2CC[NH+](C)CC2)CCCC[NH2+]1 ZINC000638137024 357423969 /nfs/dbraw/zinc/42/39/69/357423969.db2.gz QLUFTYNGTHLDGG-HNNXBMFYSA-N 2 0 298.431 -0.491 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638137725 357423983 /nfs/dbraw/zinc/42/39/83/357423983.db2.gz MQJOMDUUVSGTJO-OAHLLOKOSA-N 2 0 298.431 -0.491 20 0 CBADRP C[C@@]1(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[NH2+]CCO1 ZINC000638133172 357424170 /nfs/dbraw/zinc/42/41/70/357424170.db2.gz ITUBEAAFEZOFCM-HIFRSBDPSA-N 2 0 297.399 -0.454 20 0 CBADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638243939 357442898 /nfs/dbraw/zinc/44/28/98/357442898.db2.gz FESUBEFJOGDKRS-LJISPDSOSA-N 2 0 288.395 -0.220 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638137347 357424230 /nfs/dbraw/zinc/42/42/30/357424230.db2.gz IWPOLAJQYKSCQC-AWEZNQCLSA-N 2 0 297.447 -0.966 20 0 CBADRP COC[C@@]1(C(=O)NCCN2CC[NH+](C)CC2)CCCC[NH2+]1 ZINC000638137026 357424304 /nfs/dbraw/zinc/42/43/04/357424304.db2.gz QLUFTYNGTHLDGG-OAHLLOKOSA-N 2 0 298.431 -0.491 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638137784 357424446 /nfs/dbraw/zinc/42/44/46/357424446.db2.gz NMIMBRACLBGVRZ-DZGCQCFKSA-N 2 0 298.431 -0.493 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638135912 357424498 /nfs/dbraw/zinc/42/44/98/357424498.db2.gz VSVXWQXGJRKUQN-AAEUAGOBSA-N 2 0 266.389 -0.510 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000638141312 357424696 /nfs/dbraw/zinc/42/46/96/357424696.db2.gz SLXXVIKZCGVMQU-VXGBXAGGSA-N 2 0 256.394 -0.264 20 0 CBADRP COc1cccc(C[C@H]([NH3+])C(=O)NCC2C[NH2+]C2)c1 ZINC000638150488 357425894 /nfs/dbraw/zinc/42/58/94/357425894.db2.gz NPRGJKNPOXBVIR-ZDUSSCGKSA-N 2 0 263.341 -0.099 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)C1 ZINC000638149942 357426213 /nfs/dbraw/zinc/42/62/13/357426213.db2.gz ULFZJBVZKUUEJV-DCQANWLSSA-N 2 0 255.362 -0.051 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@]1(COC)CCCC[NH2+]1 ZINC000638153000 357426961 /nfs/dbraw/zinc/42/69/61/357426961.db2.gz MYYSBEVZXOSCGT-CYBMUJFWSA-N 2 0 273.377 -0.503 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638153029 357427436 /nfs/dbraw/zinc/42/74/36/357427436.db2.gz NFTKGADCRKUXDO-GFCCVEGCSA-N 2 0 259.350 -0.906 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638152972 357427471 /nfs/dbraw/zinc/42/74/71/357427471.db2.gz IDDFXASMNPQNRV-PWSUYJOCSA-N 2 0 259.350 -0.894 20 0 CBADRP COCC[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000638154992 357427547 /nfs/dbraw/zinc/42/75/47/357427547.db2.gz XMXITGHDBALBAS-UHFFFAOYSA-N 2 0 283.376 -0.590 20 0 CBADRP COc1cccc(C[C@@H]([NH3+])C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000638246185 357443212 /nfs/dbraw/zinc/44/32/12/357443212.db2.gz SCIPNEFISORIOK-RQJABVFESA-N 2 0 275.352 -0.101 20 0 CBADRP [NH3+]C[C@@]1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCCOC1 ZINC000638168510 357430707 /nfs/dbraw/zinc/43/07/07/357430707.db2.gz BAIWQUXZEJSZKK-KBPBESRZSA-N 2 0 267.373 -0.046 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C[NH2+]CCO1 ZINC000638172237 357431571 /nfs/dbraw/zinc/43/15/71/357431571.db2.gz UPJVGINPJFWIKT-QWHCGFSZSA-N 2 0 253.346 -0.423 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@]2(C[NH3+])CCCOC2)CC[NH2+]1 ZINC000638212108 357435244 /nfs/dbraw/zinc/43/52/44/357435244.db2.gz VKRSCLMEIXMXHC-WZRBSPASSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638210809 357435588 /nfs/dbraw/zinc/43/55/88/357435588.db2.gz KCLBCVCYNAHHMT-DGCLKSJQSA-N 2 0 264.373 -0.091 20 0 CBADRP C[C@H](C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[NH+](C)C ZINC000638220485 357436271 /nfs/dbraw/zinc/43/62/71/357436271.db2.gz QRSHHCQZESSXJO-ZJUUUORDSA-N 2 0 296.337 -0.111 20 0 CBADRP C[C@@]1(C(=O)N2CCC[C@H](CC[NH3+])C2)C[NH2+]CCO1 ZINC000638218941 357436336 /nfs/dbraw/zinc/43/63/36/357436336.db2.gz UUGLRJRHBPMNBD-YPMHNXCESA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@H]([NH3+])CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000638219404 357436564 /nfs/dbraw/zinc/43/65/64/357436564.db2.gz KJVMZKNQIWEQDP-DTWKUNHWSA-N 2 0 282.310 -0.324 20 0 CBADRP [NH3+]C[C@]1(C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)CCCOC1 ZINC000638228448 357437988 /nfs/dbraw/zinc/43/79/88/357437988.db2.gz WHMZSUPBJYJRAP-MBNYWOFBSA-N 2 0 283.372 -0.669 20 0 CBADRP COC[C@@]1(CNC(=O)C2=CC[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000638229320 357439359 /nfs/dbraw/zinc/43/93/59/357439359.db2.gz LRAYBPQLGSETGN-AAEUAGOBSA-N 2 0 253.346 -0.081 20 0 CBADRP COC[C@@]1(CNC(=O)[C@@]2(C[NH3+])CCCOC2)CCC[NH2+]1 ZINC000638232400 357439974 /nfs/dbraw/zinc/43/99/74/357439974.db2.gz SCVKQHMHDYQUFV-KGLIPLIRSA-N 2 0 285.388 -0.373 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC000637867925 357380118 /nfs/dbraw/zinc/38/01/18/357380118.db2.gz VOEWNXMNFZREOY-QWRGUYRKSA-N 2 0 255.362 -0.097 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000637867945 357380125 /nfs/dbraw/zinc/38/01/25/357380125.db2.gz VQNDOCRFNWUQOY-XZUYRWCXSA-N 2 0 271.361 -0.672 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000638571386 357495109 /nfs/dbraw/zinc/49/51/09/357495109.db2.gz PQRSZMWJFKLSGD-OLZOCXBDSA-N 2 0 296.415 -0.168 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638575655 357496114 /nfs/dbraw/zinc/49/61/14/357496114.db2.gz HDPYNISNKQUCQL-SNVBAGLBSA-N 2 0 283.294 -0.119 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638575652 357496348 /nfs/dbraw/zinc/49/63/48/357496348.db2.gz HDPYNISNKQUCQL-JTQLQIEISA-N 2 0 283.294 -0.119 20 0 CBADRP C[NH2+]CCOCCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000638578375 357497279 /nfs/dbraw/zinc/49/72/79/357497279.db2.gz FDVIJLCCUCMYHK-JTQLQIEISA-N 2 0 261.391 -0.566 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000638591294 357499393 /nfs/dbraw/zinc/49/93/93/357499393.db2.gz GVSBTZXIXFZALY-SNVBAGLBSA-N 2 0 279.331 -0.074 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)CCOC1C[NH2+]C1 ZINC000638591250 357499453 /nfs/dbraw/zinc/49/94/53/357499453.db2.gz FMEBWMGNMYFSNW-UHFFFAOYSA-N 2 0 259.350 -0.941 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000638591545 357499519 /nfs/dbraw/zinc/49/95/19/357499519.db2.gz IVLCXZFAZCGBNX-NSHDSACASA-N 2 0 295.387 -0.205 20 0 CBADRP [NH3+]C1(C(=O)NC[C@H]2COCC[NH2+]2)Cc2ccccc2C1 ZINC000638623629 357511947 /nfs/dbraw/zinc/51/19/47/357511947.db2.gz GYQCNUKKERLCBN-ZDUSSCGKSA-N 2 0 275.352 -0.413 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638595366 357500473 /nfs/dbraw/zinc/50/04/73/357500473.db2.gz RMPQIBDDIVWDCH-CYBMUJFWSA-N 2 0 273.377 -0.564 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)c1cc(C2CC[NH2+]CC2)no1 ZINC000638610633 357502418 /nfs/dbraw/zinc/50/24/18/357502418.db2.gz CPLCOVYYGZJWDU-LLVKDONJSA-N 2 0 294.355 -0.140 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000638613127 357504955 /nfs/dbraw/zinc/50/49/55/357504955.db2.gz GYKYUCZAUUYCFW-GXTWGEPZSA-N 2 0 275.352 -0.022 20 0 CBADRP [NH3+]C1(C(=O)NC[C@@H]2COCC[NH2+]2)CC2(CCC2)C1 ZINC000638612568 357505068 /nfs/dbraw/zinc/50/50/68/357505068.db2.gz QYYJIRSJNWKNST-SNVBAGLBSA-N 2 0 253.346 -0.247 20 0 CBADRP O=C(CC[C@H]1CCC[NH2+]C1)NC[C@H]1COCC[NH2+]1 ZINC000638613247 357505384 /nfs/dbraw/zinc/50/53/84/357505384.db2.gz UWPHYMJISHZTDC-NEPJUHHUSA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638615859 357507714 /nfs/dbraw/zinc/50/77/14/357507714.db2.gz IWVVVQYUTJZLKX-MDZLAQPJSA-N 2 0 255.362 -0.001 20 0 CBADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638616358 357507768 /nfs/dbraw/zinc/50/77/68/357507768.db2.gz LGXQGICTTKIJLT-WDEREUQCSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@@]([NH3+])(C(=O)NC[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000638616243 357508189 /nfs/dbraw/zinc/50/81/89/357508189.db2.gz PCNXDRQBJHZGFA-OCCSQVGLSA-N 2 0 263.341 -0.035 20 0 CBADRP C[C@]1(C(=O)N[C@@H](CC[NH3+])C(F)F)C[NH2+]CCO1 ZINC000638260257 357444828 /nfs/dbraw/zinc/44/48/28/357444828.db2.gz XKRRAVFBJMSEGH-OIBJUYFYSA-N 2 0 251.277 -0.536 20 0 CBADRP C[C@@]1(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C[NH2+]CCO1 ZINC000638262047 357445408 /nfs/dbraw/zinc/44/54/08/357445408.db2.gz KMCXYIXLKXDSNZ-OCCSQVGLSA-N 2 0 297.399 -0.421 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000638266275 357445630 /nfs/dbraw/zinc/44/56/30/357445630.db2.gz PNJOXDFVKLHREG-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000638266921 357446270 /nfs/dbraw/zinc/44/62/70/357446270.db2.gz ODKNGIDAFSJWHM-NWDGAFQWSA-N 2 0 252.362 -0.898 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000638270290 357446752 /nfs/dbraw/zinc/44/67/52/357446752.db2.gz GIPHYZPSMONCKG-GXFFZTMASA-N 2 0 255.362 -0.036 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000638618694 357508786 /nfs/dbraw/zinc/50/87/86/357508786.db2.gz OKFYEQLDJFLOTN-CYBMUJFWSA-N 2 0 284.404 -0.881 20 0 CBADRP C[C@]1(C(=O)N2CC[NH+]3CCC2CC3)C[NH2+]CCO1 ZINC000638279696 357449441 /nfs/dbraw/zinc/44/94/41/357449441.db2.gz QRLNYKYRRXVSLC-CYBMUJFWSA-N 2 0 253.346 -0.329 20 0 CBADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CN1CC[NH2+]CC1 ZINC000638285852 357451800 /nfs/dbraw/zinc/45/18/00/357451800.db2.gz YZGFKHBZWRFXSQ-ZDUSSCGKSA-N 2 0 268.405 -0.310 20 0 CBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CC[NH2+]CC3)[C@@H]2C1 ZINC000638312407 357454882 /nfs/dbraw/zinc/45/48/82/357454882.db2.gz FTHAMKOWSCOHSN-QWHCGFSZSA-N 2 0 266.389 -0.556 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CC[NH2+]CC3)[C@@H]2C1 ZINC000638312405 357455657 /nfs/dbraw/zinc/45/56/57/357455657.db2.gz FTHAMKOWSCOHSN-CHWSQXEVSA-N 2 0 266.389 -0.556 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000638326892 357457939 /nfs/dbraw/zinc/45/79/39/357457939.db2.gz ADTKBZCMZZVRCU-UONOGXRCSA-N 2 0 280.416 -0.118 20 0 CBADRP C[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000638342213 357460800 /nfs/dbraw/zinc/46/08/00/357460800.db2.gz LRSCKRLDZSZKSP-NEPJUHHUSA-N 2 0 254.378 -0.665 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@]2(C[NH3+])CCCOC2)CCCO1 ZINC000638342594 357460871 /nfs/dbraw/zinc/46/08/71/357460871.db2.gz HWEDYMIQPIWETM-YPMHNXCESA-N 2 0 271.361 -0.682 20 0 CBADRP C[C@H]1CC2(CN1C(=O)CN1CC[NH2+]CC1)CC[NH2+]CC2 ZINC000638366450 357462215 /nfs/dbraw/zinc/46/22/15/357462215.db2.gz OQDWELXEAXOSNR-ZDUSSCGKSA-N 2 0 280.416 -0.118 20 0 CBADRP Cn1ncnc1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000638356564 357462728 /nfs/dbraw/zinc/46/27/28/357462728.db2.gz RNUYCOIVUSVKSK-UHFFFAOYSA-N 2 0 266.393 -0.069 20 0 CBADRP C[C@@]1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[NH2+]CCO1 ZINC000638384348 357464493 /nfs/dbraw/zinc/46/44/93/357464493.db2.gz OCOXASVRKJKXNO-UBHSHLNASA-N 2 0 267.373 -0.048 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638386304 357464945 /nfs/dbraw/zinc/46/49/45/357464945.db2.gz KFPHRKAMVTWTPW-CQSZACIVSA-N 2 0 285.388 -0.408 20 0 CBADRP C[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2)[C@H]1CC[NH3+] ZINC000638391623 357466900 /nfs/dbraw/zinc/46/69/00/357466900.db2.gz XHVZJAMNHMOGGL-OLZOCXBDSA-N 2 0 268.405 -0.133 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)CN1CC[NH2+]CC1 ZINC000638398247 357468541 /nfs/dbraw/zinc/46/85/41/357468541.db2.gz TWHAXHQVCHKXCL-UHFFFAOYSA-N 2 0 268.405 -0.164 20 0 CBADRP C[C@@]1(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[NH2+]CCO1 ZINC000638424181 357473372 /nfs/dbraw/zinc/47/33/72/357473372.db2.gz JEFVUSXBSLTDJA-HIFRSBDPSA-N 2 0 297.399 -0.266 20 0 CBADRP [NH3+]C[C@@]1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CCCOC1 ZINC000638423898 357473475 /nfs/dbraw/zinc/47/34/75/357473475.db2.gz CRQFZLWNCRHSNV-HIFRSBDPSA-N 2 0 296.415 -0.752 20 0 CBADRP CC[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000638424728 357473888 /nfs/dbraw/zinc/47/38/88/357473888.db2.gz IXURGVYGSWMGCR-VXGBXAGGSA-N 2 0 254.378 -0.510 20 0 CBADRP O=C(CCC1C[NH2+]C1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000638425162 357474297 /nfs/dbraw/zinc/47/42/97/357474297.db2.gz LKSNPMDTAOYLON-CYBMUJFWSA-N 2 0 266.389 -0.508 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000638427761 357475449 /nfs/dbraw/zinc/47/54/49/357475449.db2.gz NAEKZOGGLVHUBI-FYLGKEKYSA-N 2 0 253.346 -0.378 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cn1 ZINC000638430603 357475803 /nfs/dbraw/zinc/47/58/03/357475803.db2.gz NAUVNYPGFHGIFU-VXGBXAGGSA-N 2 0 283.351 -0.044 20 0 CBADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000638438741 357476550 /nfs/dbraw/zinc/47/65/50/357476550.db2.gz ZBAZIROZEGEQAP-NSHDSACASA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@]2(C)C[NH2+]CCO2)CCO1 ZINC000638433425 357476875 /nfs/dbraw/zinc/47/68/75/357476875.db2.gz UABZYRFDTPFYNY-UKRRQHHQSA-N 2 0 299.415 -0.066 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638478377 357482101 /nfs/dbraw/zinc/48/21/01/357482101.db2.gz XQZUKGQGDXGHNC-LBPRGKRZSA-N 2 0 297.403 -0.989 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000638487805 357484449 /nfs/dbraw/zinc/48/44/49/357484449.db2.gz CKTKCPQUSLKFSS-VXGBXAGGSA-N 2 0 255.362 -0.179 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638488630 357484642 /nfs/dbraw/zinc/48/46/42/357484642.db2.gz HZTYWQQWCBBDFN-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[NH2+]CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000638496797 357486426 /nfs/dbraw/zinc/48/64/26/357486426.db2.gz VXRNIOGQITWRDZ-NSHDSACASA-N 2 0 270.377 -0.560 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638497703 357487396 /nfs/dbraw/zinc/48/73/96/357487396.db2.gz HJGIWWMJQILQSE-GHMZBOCLSA-N 2 0 253.346 -0.234 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638505596 357491061 /nfs/dbraw/zinc/49/10/61/357491061.db2.gz MOVVQDJHGOKPIR-WDEREUQCSA-N 2 0 280.372 -0.745 20 0 CBADRP [NH3+]Cc1ncc(C(=O)N[C@@H]2CC[NH2+]C23CCC3)cn1 ZINC000638514374 357491837 /nfs/dbraw/zinc/49/18/37/357491837.db2.gz SUMSPAAHHSRELN-SNVBAGLBSA-N 2 0 261.329 -0.050 20 0 CBADRP CCN(CC[NH3+])C(=O)CCN1CC[NH+](CC)CC1 ZINC000638519122 357492653 /nfs/dbraw/zinc/49/26/53/357492653.db2.gz RYXMYMBJXZAXML-UHFFFAOYSA-N 2 0 256.394 -0.179 20 0 CBADRP CCN(CC[NH3+])C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000638517367 357492977 /nfs/dbraw/zinc/49/29/77/357492977.db2.gz SPOAGARGLXXRAN-SNVBAGLBSA-N 2 0 256.350 -0.948 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638537318 357493498 /nfs/dbraw/zinc/49/34/98/357493498.db2.gz YPBFQYQNAMEOLA-LOWVWBTDSA-N 2 0 253.346 -0.567 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000638528776 357493571 /nfs/dbraw/zinc/49/35/71/357493571.db2.gz RURIJHQXRYVKKB-SNVBAGLBSA-N 2 0 266.349 -0.549 20 0 CBADRP C[C@H]1CC[NH2+][C@H](C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000638540343 357493608 /nfs/dbraw/zinc/49/36/08/357493608.db2.gz ORMFPWDTEPPWJV-QWRGUYRKSA-N 2 0 255.362 -0.001 20 0 CBADRP COC[C@]1(C(=O)NCC2([NH3+])CCOCC2)CCCC[NH2+]1 ZINC000638540920 357494114 /nfs/dbraw/zinc/49/41/14/357494114.db2.gz COXZALPRNASKOG-AWEZNQCLSA-N 2 0 285.388 -0.231 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)c2cn(CC[NH3+])nn2)C[NH2+]1 ZINC000638643033 357514575 /nfs/dbraw/zinc/51/45/75/357514575.db2.gz YQTXYATVLDTNSO-RKDXNWHRSA-N 2 0 252.322 -0.893 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638643098 357514653 /nfs/dbraw/zinc/51/46/53/357514653.db2.gz KOWKUCCUDYPPNP-NHCYSSNCSA-N 2 0 270.377 -0.657 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[NH2+]1 ZINC000638642726 357514694 /nfs/dbraw/zinc/51/46/94/357514694.db2.gz JNPZSRXXJHRDAN-IJLUTSLNSA-N 2 0 282.388 -0.499 20 0 CBADRP [NH3+]CCCOCCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000638660683 357517086 /nfs/dbraw/zinc/51/70/86/357517086.db2.gz HYCIBNOTGNHTLM-NSHDSACASA-N 2 0 255.362 -0.142 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCOCCC[NH3+])C1 ZINC000638662504 357517425 /nfs/dbraw/zinc/51/74/25/357517425.db2.gz CORUPIVDNFNRFG-JQWIXIFHSA-N 2 0 259.350 -0.765 20 0 CBADRP [NH3+]CCCOCCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000638663354 357517814 /nfs/dbraw/zinc/51/78/14/357517814.db2.gz MNMQKVAPGLXASJ-SECBINFHSA-N 2 0 265.304 -0.287 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000638673772 357518946 /nfs/dbraw/zinc/51/89/46/357518946.db2.gz ZIQLRRLRHORQPW-DGCLKSJQSA-N 2 0 255.362 -0.190 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000638674539 357519244 /nfs/dbraw/zinc/51/92/44/357519244.db2.gz MGOJIDIOKIGVKJ-TYNCELHUSA-N 2 0 299.415 -0.047 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638814695 357532958 /nfs/dbraw/zinc/53/29/58/357532958.db2.gz AKYMSNGLEFVKLE-NWDGAFQWSA-N 2 0 256.394 -0.005 20 0 CBADRP [NH3+][C@@H]1CCCCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000638820056 357534546 /nfs/dbraw/zinc/53/45/46/357534546.db2.gz PMBJCNSJAHIPJH-NEPJUHHUSA-N 2 0 282.388 -0.416 20 0 CBADRP CC[NH2+][C@H](C)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000638856657 357538581 /nfs/dbraw/zinc/53/85/81/357538581.db2.gz QJZZEEOPHGBTOZ-YPMHNXCESA-N 2 0 296.415 -0.204 20 0 CBADRP CO[C@H]1CN(C(=O)CCC2C[NH2+]C2)[C@@](C)(C[NH3+])C1 ZINC000638862697 357538606 /nfs/dbraw/zinc/53/86/06/357538606.db2.gz HDUMQWHNMVAZRI-DGCLKSJQSA-N 2 0 255.362 -0.049 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000638899318 357540833 /nfs/dbraw/zinc/54/08/33/357540833.db2.gz CINSSWWOVCFFCL-DCQANWLSSA-N 2 0 255.362 -0.193 20 0 CBADRP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914398 357542799 /nfs/dbraw/zinc/54/27/99/357542799.db2.gz ADAMSUYEJIOJSF-GUBZILKMSA-N 2 0 261.329 -0.327 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638919984 357544083 /nfs/dbraw/zinc/54/40/83/357544083.db2.gz XBOILNNPSWQJCI-GRYCIOLGSA-N 2 0 253.346 -0.282 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000638925805 357544203 /nfs/dbraw/zinc/54/42/03/357544203.db2.gz ASWPBFVUSHSNLN-LSCVPOLPSA-N 2 0 253.346 -0.284 20 0 CBADRP [NH3+]C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCOC1 ZINC000638927210 357544983 /nfs/dbraw/zinc/54/49/83/357544983.db2.gz VLSBGDHIZYEFAN-LOWVWBTDSA-N 2 0 253.346 -0.295 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638934779 357546229 /nfs/dbraw/zinc/54/62/29/357546229.db2.gz KFUSFUDPHAUBLN-VWYCJHECSA-N 2 0 268.361 -0.807 20 0 CBADRP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638940797 357546253 /nfs/dbraw/zinc/54/62/53/357546253.db2.gz SCYPEYXLMXPPRC-TUAOUCFPSA-N 2 0 290.371 -0.221 20 0 CBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@@H](C[NH3+])CC1 ZINC000638950137 357546868 /nfs/dbraw/zinc/54/68/68/357546868.db2.gz HNLHFJXUBZOGGU-DDHJBXDOSA-N 2 0 255.362 -0.016 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000638971567 357547380 /nfs/dbraw/zinc/54/73/80/357547380.db2.gz ZAUDQJOXSUEKTM-IJLUTSLNSA-N 2 0 282.388 -0.512 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639020874 357553869 /nfs/dbraw/zinc/55/38/69/357553869.db2.gz GCPYHXNMNCZIBC-GRYCIOLGSA-N 2 0 253.346 -0.425 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639022848 357554267 /nfs/dbraw/zinc/55/42/67/357554267.db2.gz RBUKIRYYYQEGSS-OLZOCXBDSA-N 2 0 266.389 -0.508 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639026070 357554357 /nfs/dbraw/zinc/55/43/57/357554357.db2.gz XDTDDIMHOAFMMU-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[C@@H]1C[N@H+](C)CCN1Cc1cnc(N)nc1N ZINC000639211605 357561770 /nfs/dbraw/zinc/56/17/70/357561770.db2.gz PNZZLMCILAZPGW-SNVBAGLBSA-N 2 0 250.350 -0.172 20 0 CBADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cnc(N)nc1N ZINC000639307206 357566352 /nfs/dbraw/zinc/56/63/52/357566352.db2.gz QJFIICDQEGZGGY-NSHDSACASA-N 2 0 295.435 -0.337 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)CC1 ZINC000639854196 357609189 /nfs/dbraw/zinc/60/91/89/357609189.db2.gz JIHQZMLVAGMIQW-DZGCQCFKSA-N 2 0 299.415 -0.596 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000640949216 357669508 /nfs/dbraw/zinc/66/95/08/357669508.db2.gz OJMHVHGXWDZGGH-BJDJZHNGSA-N 2 0 270.377 -0.258 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000640949218 357669545 /nfs/dbraw/zinc/66/95/45/357669545.db2.gz OJMHVHGXWDZGGH-RHYQMDGZSA-N 2 0 270.377 -0.258 20 0 CBADRP CC[N@H+](C)C[C@@H](O)Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000641223484 357683125 /nfs/dbraw/zinc/68/31/25/357683125.db2.gz RCVJVSMPTXDLGW-DGCLKSJQSA-N 2 0 267.377 -0.257 20 0 CBADRP NS(=O)(=O)CCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000641799724 357743169 /nfs/dbraw/zinc/74/31/69/357743169.db2.gz SEESEBHAMPSYHV-UHFFFAOYSA-N 2 0 261.391 -0.260 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000642999931 357775988 /nfs/dbraw/zinc/77/59/88/357775988.db2.gz OLJBWLQYKFDENF-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP CN(C)S(=O)(=O)CCC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641802441 357744295 /nfs/dbraw/zinc/74/42/95/357744295.db2.gz KWOGFTOCIIQQOI-UWVGGRQHSA-N 2 0 263.407 -0.017 20 0 CBADRP C[C@@H](NC(=O)N1CC[N@H+](CCO)C(C)(C)C1)[C@H](C)[NH3+] ZINC000641937785 357749204 /nfs/dbraw/zinc/74/92/04/357749204.db2.gz KPIPIKICRUEUBA-WDEREUQCSA-N 2 0 272.393 -0.180 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000641937783 357749218 /nfs/dbraw/zinc/74/92/18/357749218.db2.gz KPIPIKICRUEUBA-MNOVXSKESA-N 2 0 272.393 -0.180 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000642080303 357749952 /nfs/dbraw/zinc/74/99/52/357749952.db2.gz KKHUESIOZZDWRQ-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP CCC[NH+](CCC)CCCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000642247051 357751578 /nfs/dbraw/zinc/75/15/78/357751578.db2.gz JGRRMLCFBNCLFQ-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642330412 357753350 /nfs/dbraw/zinc/75/33/50/357753350.db2.gz GHRZFRIDMJURJN-QNWHQSFQSA-N 2 0 298.431 -0.068 20 0 CBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642431207 357754291 /nfs/dbraw/zinc/75/42/91/357754291.db2.gz WOYZXRIWIZBLBO-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642431210 357754519 /nfs/dbraw/zinc/75/45/19/357754519.db2.gz WOYZXRIWIZBLBO-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000642440162 357755078 /nfs/dbraw/zinc/75/50/78/357755078.db2.gz XQNLKFSSNZEIOU-JHJVBQTASA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000642439453 357755131 /nfs/dbraw/zinc/75/51/31/357755131.db2.gz HOCCTWKMOSLWRV-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000642439971 357755139 /nfs/dbraw/zinc/75/51/39/357755139.db2.gz UIPNNYOBYVDUGL-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000642439770 357755470 /nfs/dbraw/zinc/75/54/70/357755470.db2.gz OQWXXIDJQHDBEX-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000642439428 357755477 /nfs/dbraw/zinc/75/54/77/357755477.db2.gz GSRWKYXDQLWOFF-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000642535596 357756410 /nfs/dbraw/zinc/75/64/10/357756410.db2.gz KYBWJPINHAMHKS-GMXVVIOVSA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[NH3+])C[N@@H+]1C1CC1 ZINC000642718193 357759139 /nfs/dbraw/zinc/75/91/39/357759139.db2.gz RJJPASJRXFXNBI-WZRBSPASSA-N 2 0 294.399 -0.323 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642718720 357759465 /nfs/dbraw/zinc/75/94/65/357759465.db2.gz JVPGOSNJAWPHJP-GWCFXTLKSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000642732690 357760101 /nfs/dbraw/zinc/76/01/01/357760101.db2.gz QERXACWOGBPTSU-FRRDWIJNSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000642732138 357760374 /nfs/dbraw/zinc/76/03/74/357760374.db2.gz FCCHEUXBPOHERP-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@@H](NC(=O)C(=O)NC1C[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000642762323 357761268 /nfs/dbraw/zinc/76/12/68/357761268.db2.gz IGJYQNCNXQAWCD-SECBINFHSA-N 2 0 270.377 -0.833 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000642785710 357761793 /nfs/dbraw/zinc/76/17/93/357761793.db2.gz DUZUKLQXRWKTSB-CHWSQXEVSA-N 2 0 296.415 -0.314 20 0 CBADRP [NH3+]C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000642785650 357761873 /nfs/dbraw/zinc/76/18/73/357761873.db2.gz AXYPCGJEWJNUGQ-QWHCGFSZSA-N 2 0 294.399 -0.560 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000642785711 357762663 /nfs/dbraw/zinc/76/26/63/357762663.db2.gz DUZUKLQXRWKTSB-OLZOCXBDSA-N 2 0 296.415 -0.314 20 0 CBADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000642786034 357762706 /nfs/dbraw/zinc/76/27/06/357762706.db2.gz XWVFNKUCGIZXOC-QWHCGFSZSA-N 2 0 294.399 -0.545 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000642800814 357763637 /nfs/dbraw/zinc/76/36/37/357763637.db2.gz OOKGXXVJOAVJPG-ZYHUDNBSSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000642793883 357763716 /nfs/dbraw/zinc/76/37/16/357763716.db2.gz BBLZQBBOLUXHMM-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000642809772 357763740 /nfs/dbraw/zinc/76/37/40/357763740.db2.gz OUAWDVMRZUTQAU-WDEREUQCSA-N 2 0 284.404 -0.314 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642808195 357763766 /nfs/dbraw/zinc/76/37/66/357763766.db2.gz HABSJSVZKKIERN-SNVBAGLBSA-N 2 0 258.366 -0.702 20 0 CBADRP CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H](C)[NH3+])C(C)C ZINC000642854628 357763845 /nfs/dbraw/zinc/76/38/45/357763845.db2.gz KZVGTMLCMAXXJI-LLVKDONJSA-N 2 0 272.393 -0.315 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000642892866 357764906 /nfs/dbraw/zinc/76/49/06/357764906.db2.gz ZVLAUPPRJPUEGC-STQMWFEESA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000642907818 357766236 /nfs/dbraw/zinc/76/62/36/357766236.db2.gz HWLDPHORYNXUDG-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000642907846 357766476 /nfs/dbraw/zinc/76/64/76/357766476.db2.gz IEYICGRGASGCHN-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000642904543 357766559 /nfs/dbraw/zinc/76/65/59/357766559.db2.gz YNMFRVGYPIOQOP-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000642909368 357767194 /nfs/dbraw/zinc/76/71/94/357767194.db2.gz LMZPSTXATZKJSE-SDDRHHMPSA-N 2 0 284.404 -0.314 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642910723 357768557 /nfs/dbraw/zinc/76/85/57/357768557.db2.gz MCGKMSMQUBTDNJ-NSHDSACASA-N 2 0 272.393 -0.360 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000642914845 357769311 /nfs/dbraw/zinc/76/93/11/357769311.db2.gz OKMQDUUVNLIYNW-CHWSQXEVSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000642913203 357769317 /nfs/dbraw/zinc/76/93/17/357769317.db2.gz KSMCOYXNMSDVQH-NSHDSACASA-N 2 0 270.377 -0.689 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000642914848 357769339 /nfs/dbraw/zinc/76/93/39/357769339.db2.gz OKMQDUUVNLIYNW-STQMWFEESA-N 2 0 296.415 -0.156 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919117 357770440 /nfs/dbraw/zinc/77/04/40/357770440.db2.gz ORGUKNKJQINHKL-UHFFFAOYSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000642930462 357771368 /nfs/dbraw/zinc/77/13/68/357771368.db2.gz ZRRLILGUCQLFAS-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)NCCC[NH+]2CCCC2)C[C@@H]1O ZINC000642935707 357771381 /nfs/dbraw/zinc/77/13/81/357771381.db2.gz AVSRVESBCRBPFL-STQMWFEESA-N 2 0 284.404 -0.211 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000642929591 357771466 /nfs/dbraw/zinc/77/14/66/357771466.db2.gz FNZHQCKUNFKRCK-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000643471903 357784143 /nfs/dbraw/zinc/78/41/43/357784143.db2.gz PEKYGBXBDLMMQD-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000643574502 357789027 /nfs/dbraw/zinc/78/90/27/357789027.db2.gz NOFHHTCLKFPUOS-QWHCGFSZSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000419322899 291132544 /nfs/dbraw/zinc/13/25/44/291132544.db2.gz SYTYYAOASWUPIH-SRVKXCTJSA-N 2 0 294.399 -0.404 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429020865 283348959 /nfs/dbraw/zinc/34/89/59/283348959.db2.gz OCPDQDWDENAWJW-ZDUSSCGKSA-N 2 0 268.361 -0.140 20 0 CBADRP CCC[NH2+]CCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000418490782 283388305 /nfs/dbraw/zinc/38/83/05/283388305.db2.gz QGORNZWXJBHXRW-LBPRGKRZSA-N 2 0 299.419 -0.375 20 0 CBADRP CCC[C@@H](C(=O)N(C)CC(=O)N1CC[NH2+]CC1)[NH+](C)C ZINC000353047686 283459441 /nfs/dbraw/zinc/45/94/41/283459441.db2.gz OKOHTGVZWOKRJH-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419135964 283515571 /nfs/dbraw/zinc/51/55/71/283515571.db2.gz MPSRGQYUJBFLIP-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)N1CC[NH+](C)CC1 ZINC000574086586 334991392 /nfs/dbraw/zinc/99/13/92/334991392.db2.gz HNBUBSJEPOMIQP-BZPMIXESSA-N 2 0 266.389 -0.510 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH+]1CCC1 ZINC000341891316 216142235 /nfs/dbraw/zinc/14/22/35/216142235.db2.gz WGLFYCASFMOXOW-LBPRGKRZSA-N 2 0 255.362 -0.223 20 0 CBADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](C)C(=O)N(C)C)CC1 ZINC000430926196 296016285 /nfs/dbraw/zinc/01/62/85/296016285.db2.gz MUFYCMYSRWOVES-MNOVXSKESA-N 2 0 284.404 -0.362 20 0 CBADRP CC1(C)NC(=O)N(CC[NH2+]CC2([NH3+])CCC2)C1=O ZINC000342174641 216248220 /nfs/dbraw/zinc/24/82/20/216248220.db2.gz VHJVWZMWHFFRSL-UHFFFAOYSA-N 2 0 254.334 -0.212 20 0 CBADRP C[C@H]1[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CCC[N@@H+]1C ZINC000419542365 291284758 /nfs/dbraw/zinc/28/47/58/291284758.db2.gz FJPSPHNNGNKUFQ-TUAOUCFPSA-N 2 0 282.388 -0.547 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000374434066 296054921 /nfs/dbraw/zinc/05/49/21/296054921.db2.gz DOBOYRSZFYQFKD-OLZOCXBDSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000370771801 296055546 /nfs/dbraw/zinc/05/55/46/296055546.db2.gz IDQQCUMGICUNAB-XUXIUFHCSA-N 2 0 279.384 -0.083 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973502 296072017 /nfs/dbraw/zinc/07/20/17/296072017.db2.gz CJKWUIOLBDGFKV-AVGNSLFASA-N 2 0 267.373 -0.204 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)NCC1CC[NH2+]CC1 ZINC000574150005 334995747 /nfs/dbraw/zinc/99/57/47/334995747.db2.gz ODFDMHAUZMLWOK-GFCCVEGCSA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000574340144 335012359 /nfs/dbraw/zinc/01/23/59/335012359.db2.gz WFKVYGLXVOIFGR-RHYQMDGZSA-N 2 0 280.372 -0.855 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364213349 296137908 /nfs/dbraw/zinc/13/79/08/296137908.db2.gz IDQQCUMGICUNAB-REWJHTLYSA-N 2 0 279.384 -0.083 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@H]2CCC[NH2+]2)CCOCC1 ZINC000237081763 189862678 /nfs/dbraw/zinc/86/26/78/189862678.db2.gz PGMDLALHWPFIAI-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH2+]CCNC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000574405731 335015588 /nfs/dbraw/zinc/01/55/88/335015588.db2.gz DAFBLCXOWZVLBU-UHFFFAOYSA-N 2 0 258.366 -0.384 20 0 CBADRP CN(CCC[N@H+](C)[C@@H]1CCNC1=O)CC[NH+](C)C ZINC000344064440 217035023 /nfs/dbraw/zinc/03/50/23/217035023.db2.gz OECDMQSXTFKOTA-GFCCVEGCSA-N 2 0 256.394 -0.310 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCN1C(=O)CNC1=O ZINC000161995332 372821462 /nfs/dbraw/zinc/82/14/62/372821462.db2.gz UFRUOLYGYYTEQF-UHFFFAOYSA-N 2 0 297.403 -0.893 20 0 CBADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)NC(N)=O)CC[C@@H]21 ZINC000162795335 372822735 /nfs/dbraw/zinc/82/27/35/372822735.db2.gz HAPDNYSAIXCCDO-MNOVXSKESA-N 2 0 268.361 -0.013 20 0 CBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H](C[NH3+])OC)C1 ZINC000353449620 220089431 /nfs/dbraw/zinc/08/94/31/220089431.db2.gz NVXPTIPMXBBLLD-QWHCGFSZSA-N 2 0 287.404 -0.081 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000178877582 372840193 /nfs/dbraw/zinc/84/01/93/372840193.db2.gz RQMNTPSSCKZQRK-KBPBESRZSA-N 2 0 282.432 -0.014 20 0 CBADRP COC[C@H](O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000179309562 372842628 /nfs/dbraw/zinc/84/26/28/372842628.db2.gz TXSXLFLCYFYJKI-CYBMUJFWSA-N 2 0 259.394 -0.437 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000353455519 220093885 /nfs/dbraw/zinc/09/38/85/220093885.db2.gz XVUOWAAONWDLEV-LBPRGKRZSA-N 2 0 287.404 -0.034 20 0 CBADRP CC[N@H+](CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1CC1 ZINC000219036247 372871257 /nfs/dbraw/zinc/87/12/57/372871257.db2.gz XEPRTHSWTRBMJQ-ZDUSSCGKSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[N@H+](C)C[C@H](O)Cn1cc(CN(C)CCC[NH3+])nn1 ZINC000328015115 372972602 /nfs/dbraw/zinc/97/26/02/372972602.db2.gz QXXVAKZUDMQRSM-ZDUSSCGKSA-N 2 0 284.408 -0.629 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@H]1C[NH2+]CCO1 ZINC000333607712 373011036 /nfs/dbraw/zinc/01/10/36/373011036.db2.gz QDWSXUNRVKNDPY-BFHYXJOUSA-N 2 0 275.352 -0.153 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000332669233 373004680 /nfs/dbraw/zinc/00/46/80/373004680.db2.gz RKSHPLMQXZMRSH-NEPJUHHUSA-N 2 0 280.372 -0.757 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000333138453 373008416 /nfs/dbraw/zinc/00/84/16/373008416.db2.gz CRABTDIBMDSFMG-YPMHNXCESA-N 2 0 294.399 -0.147 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000333424642 373009398 /nfs/dbraw/zinc/00/93/98/373009398.db2.gz SZVDJJCYLWXILA-WXHSDQCUSA-N 2 0 282.388 -0.162 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)CC[NH2+]C1 ZINC000333264031 373010141 /nfs/dbraw/zinc/01/01/41/373010141.db2.gz JHGPFOTZVJBLGM-NQBHXWOUSA-N 2 0 255.362 -0.131 20 0 CBADRP CC[NH+](C/C=C\C[N@@H+](CC)CC(N)=O)CC(N)=O ZINC000355554654 284372716 /nfs/dbraw/zinc/37/27/16/284372716.db2.gz FQRIMGCFMWJQPN-WAYWQWQTSA-N 2 0 256.350 -0.843 20 0 CBADRP C[C@@H]1CN(C(=O)N[C@H]2CCC[NH2+]C2)C[C@H](C)[N@H+]1CCO ZINC000333728308 373014121 /nfs/dbraw/zinc/01/41/21/373014121.db2.gz VRYQTERXGVVASA-XQQFMLRXSA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)C[C@@H]1C ZINC000333841924 373014349 /nfs/dbraw/zinc/01/43/49/373014349.db2.gz OJUBEIFWJLBTFA-RWMBFGLXSA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NC[C@H]1CN(C)CCO1 ZINC000333495589 205373352 /nfs/dbraw/zinc/37/33/52/205373352.db2.gz CTZKBSSKAFRHTQ-SDDRHHMPSA-N 2 0 270.377 -0.243 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000347813015 373073918 /nfs/dbraw/zinc/07/39/18/373073918.db2.gz WIIZDNXEVGKYNP-GFCCVEGCSA-N 2 0 289.445 -0.146 20 0 CBADRP CN1CCO[C@H](C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000352799069 373108227 /nfs/dbraw/zinc/10/82/27/373108227.db2.gz VYFSZYYMWFTHCU-XQQFMLRXSA-N 2 0 267.373 -0.130 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503570 373172208 /nfs/dbraw/zinc/17/22/08/373172208.db2.gz YTCCRTTWIKZRLY-UHFFFAOYSA-N 2 0 268.361 -0.092 20 0 CBADRP C[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000354700567 373119073 /nfs/dbraw/zinc/11/90/73/373119073.db2.gz WYIUIMRODNYGPP-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCc3nc[nH]c3C2)C1 ZINC000360505212 373201912 /nfs/dbraw/zinc/20/19/12/373201912.db2.gz SWEWLKNPTVUFRX-YGRLFVJLSA-N 2 0 293.371 -0.367 20 0 CBADRP O=C(CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC000360550578 373207744 /nfs/dbraw/zinc/20/77/44/373207744.db2.gz IPWJDADBCGZLJW-CQSZACIVSA-N 2 0 267.373 -0.079 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCSC)C1 ZINC000353581245 220172175 /nfs/dbraw/zinc/17/21/75/220172175.db2.gz NJKDIMSOWOEYBI-WDEREUQCSA-N 2 0 275.418 -0.096 20 0 CBADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000353594869 220179583 /nfs/dbraw/zinc/17/95/83/220179583.db2.gz ZCELLOYTPSILOG-SDDRHHMPSA-N 2 0 284.404 -0.184 20 0 CBADRP NC(=O)C1(N2CCN(C(=O)CC[NH3+])CC2)CCCCC1 ZINC000361729329 373330500 /nfs/dbraw/zinc/33/05/00/373330500.db2.gz RHAAHMOCPQJWNH-UHFFFAOYSA-N 2 0 282.388 -0.332 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@]2(CCOC)CC[NH2+]C2)C1 ZINC000361732261 373330547 /nfs/dbraw/zinc/33/05/47/373330547.db2.gz GUFSVJFLNRVYTQ-DGCLKSJQSA-N 2 0 255.362 -0.177 20 0 CBADRP CCCC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000353594829 220179265 /nfs/dbraw/zinc/17/92/65/220179265.db2.gz YYUJGHKXXFNBLP-NEPJUHHUSA-N 2 0 284.404 -0.040 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000362763875 373445463 /nfs/dbraw/zinc/44/54/63/373445463.db2.gz WZWRGWHMEUCJQX-MGPQQGTHSA-N 2 0 282.432 -0.064 20 0 CBADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000365333669 373523364 /nfs/dbraw/zinc/52/33/64/373523364.db2.gz YQOCELAMSDVQCB-FIQHERPVSA-N 2 0 253.346 -0.596 20 0 CBADRP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000377291998 373576130 /nfs/dbraw/zinc/57/61/30/373576130.db2.gz OLJFBDSPLKMBKL-UMSGYPCISA-N 2 0 267.373 -0.206 20 0 CBADRP COCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000378203764 373578763 /nfs/dbraw/zinc/57/87/63/373578763.db2.gz RMERQUGPJVDYFS-ZDUSSCGKSA-N 2 0 285.388 -0.454 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000417096215 373627816 /nfs/dbraw/zinc/62/78/16/373627816.db2.gz VTKXABMMWKTQOD-QWRGUYRKSA-N 2 0 260.382 -0.010 20 0 CBADRP CC[N@H+](CCNC(=O)NC[C@H]1C[NH2+]CCN1C)C1CC1 ZINC000417432862 373627920 /nfs/dbraw/zinc/62/79/20/373627920.db2.gz UIWSFRJDBNRHGR-CYBMUJFWSA-N 2 0 283.420 -0.327 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H](C)C[NH3+])[C@@H](C)C1 ZINC000418477217 373631744 /nfs/dbraw/zinc/63/17/44/373631744.db2.gz UTCTZIKPGKHJBN-SRVKXCTJSA-N 2 0 272.393 -0.322 20 0 CBADRP C[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H](C)[N@H+]1C ZINC000418668517 373633237 /nfs/dbraw/zinc/63/32/37/373633237.db2.gz IBTMOMAGQDYIML-YYNVLWEHSA-N 2 0 252.362 -0.062 20 0 CBADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000418649091 373633824 /nfs/dbraw/zinc/63/38/24/373633824.db2.gz VQHNILICUSICSK-IJLUTSLNSA-N 2 0 284.404 -0.356 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CC2)[C@H](C)C[NH2+]1 ZINC000419095534 373634788 /nfs/dbraw/zinc/63/47/88/373634788.db2.gz CLBFIXXBLMRZTN-GHMZBOCLSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC[NH2+]1 ZINC000418838303 373634861 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COCCN(CC[NH+](C)C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000423739324 373663235 /nfs/dbraw/zinc/66/32/35/373663235.db2.gz HFFLOGZOPWDRHI-LLVKDONJSA-N 2 0 259.350 -0.989 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000427290682 373668763 /nfs/dbraw/zinc/66/87/63/373668763.db2.gz BUJZDQMLERCMNR-AVGNSLFASA-N 2 0 269.389 -0.101 20 0 CBADRP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(C[NH3+])CC2)CC1 ZINC000430606016 373672999 /nfs/dbraw/zinc/67/29/99/373672999.db2.gz VFOJJPYTRUVFRK-LBPRGKRZSA-N 2 0 296.415 -0.264 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NC[C@H](C)[NH+](C)C ZINC000454433623 373693128 /nfs/dbraw/zinc/69/31/28/373693128.db2.gz KRVFZIPGQTUFHJ-NSHDSACASA-N 2 0 260.382 -0.186 20 0 CBADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2COC[C@H]2O)CC1 ZINC000463080928 373695379 /nfs/dbraw/zinc/69/53/79/373695379.db2.gz AQLJPSWFSMFTMK-KWCYVHTRSA-N 2 0 272.389 -0.229 20 0 CBADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479277522 373698691 /nfs/dbraw/zinc/69/86/91/373698691.db2.gz YQOCELAMSDVQCB-NNYUYHANSA-N 2 0 253.346 -0.596 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000514933931 373770600 /nfs/dbraw/zinc/77/06/00/373770600.db2.gz AIUIEOUJOPZCPJ-XQQFMLRXSA-N 2 0 296.415 -0.170 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000514935786 373770900 /nfs/dbraw/zinc/77/09/00/373770900.db2.gz CRZROBIUSANDMG-GFCCVEGCSA-N 2 0 284.404 -0.251 20 0 CBADRP Cn1ccnc1CN[C@@H]1CC(=O)N(CC[NH+](C)C)C1=O ZINC000514947304 373772347 /nfs/dbraw/zinc/77/23/47/373772347.db2.gz UXKBOAULRKENHZ-SNVBAGLBSA-N 2 0 279.344 -0.801 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000493766423 373729550 /nfs/dbraw/zinc/72/95/50/373729550.db2.gz JIZUTZMODSVVBV-DCAQKATOSA-N 2 0 270.377 -0.574 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000514663003 373760042 /nfs/dbraw/zinc/76/00/42/373760042.db2.gz GBBJANDAKDQTOZ-UHFFFAOYSA-N 2 0 297.403 -0.846 20 0 CBADRP COCC[NH2+]CC(=O)NCc1ccc(C[NH3+])cc1 ZINC000514864168 373767449 /nfs/dbraw/zinc/76/74/49/373767449.db2.gz ZZAYZXMMWBLMSC-UHFFFAOYSA-N 2 0 251.330 -0.003 20 0 CBADRP [NH3+][C@H]1C[C@@H]2C[N@H+](CC3CC[NH2+]CC3)CCN2C1=O ZINC000515073205 373777192 /nfs/dbraw/zinc/77/71/92/373777192.db2.gz NGLPWLZERHLINK-NEPJUHHUSA-N 2 0 252.362 -0.770 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000516285756 373810202 /nfs/dbraw/zinc/81/02/02/373810202.db2.gz YGNVSCQHRIEEQS-WOPDTQHZSA-N 2 0 255.362 -0.097 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000520219126 373830049 /nfs/dbraw/zinc/83/00/49/373830049.db2.gz VREIQQGXYLICCJ-UONOGXRCSA-N 2 0 276.384 -0.424 20 0 CBADRP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000515351741 373784722 /nfs/dbraw/zinc/78/47/22/373784722.db2.gz VPWHOYYSTPVPCK-CWSCBRNRSA-N 2 0 275.356 -0.080 20 0 CBADRP C[C@@]1(C(=O)N2CCCO[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000515651792 373793711 /nfs/dbraw/zinc/79/37/11/373793711.db2.gz ROSISZBBCHMJSK-WCQYABFASA-N 2 0 255.362 -0.048 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000515812794 373795907 /nfs/dbraw/zinc/79/59/07/373795907.db2.gz BBIVQJKPJXWXDN-NSHDSACASA-N 2 0 268.361 -0.985 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000516065943 373802268 /nfs/dbraw/zinc/80/22/68/373802268.db2.gz ZIYOWUFKUYUPJW-NSHDSACASA-N 2 0 271.361 -0.321 20 0 CBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C2([NH3+])CC2)c1 ZINC000521626171 373847420 /nfs/dbraw/zinc/84/74/20/373847420.db2.gz QJGYCFQYGBSXRW-UHFFFAOYSA-N 2 0 298.368 -0.647 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000574451848 335020712 /nfs/dbraw/zinc/02/07/12/335020712.db2.gz QDJLAQRQWTWSOG-ZFWWWQNUSA-N 2 0 288.395 -0.107 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000574453056 335021020 /nfs/dbraw/zinc/02/10/20/335021020.db2.gz UDRBJMRGQCYYQC-KOLCDFICSA-N 2 0 258.366 -0.815 20 0 CBADRP C[NH2+]CCN(C)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000574454401 335021137 /nfs/dbraw/zinc/02/11/37/335021137.db2.gz ZPDUIOQXQXSAOH-UHFFFAOYSA-N 2 0 265.361 -0.360 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000529297268 373999176 /nfs/dbraw/zinc/99/91/76/373999176.db2.gz HWNCBEVPGCCXQM-JHJVBQTASA-N 2 0 282.388 -0.099 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@@H]1CCCC[NH2+]1 ZINC000529331366 374004378 /nfs/dbraw/zinc/00/43/78/374004378.db2.gz VJMLHXFTMWBLOO-WDEREUQCSA-N 2 0 256.350 -0.584 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]C1)NC[C@@H]1COCC[NH2+]1 ZINC000529334093 374004562 /nfs/dbraw/zinc/00/45/62/374004562.db2.gz UHXOMMFNNGAACW-WDEREUQCSA-N 2 0 256.350 -0.726 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000529332017 374004654 /nfs/dbraw/zinc/00/46/54/374004654.db2.gz WOTQNGZRGWBTIJ-ZDUSSCGKSA-N 2 0 283.420 -0.469 20 0 CBADRP [NH3+]C1CCC(NC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529333876 374005165 /nfs/dbraw/zinc/00/51/65/374005165.db2.gz OEZLQXJPPTVYEQ-VQXHTEKXSA-N 2 0 256.350 -0.456 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@H]1C[NH2+]CCC1(F)F ZINC000529339591 374006565 /nfs/dbraw/zinc/00/65/65/374006565.db2.gz LOHCTVYIFIABFG-IUCAKERBSA-N 2 0 278.303 -0.729 20 0 CBADRP [NH3+]CC1(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)CCOCC1 ZINC000529344416 374008930 /nfs/dbraw/zinc/00/89/30/374008930.db2.gz YRNHNXQNMBGTPF-VIFPVBQESA-N 2 0 292.330 -0.209 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529387836 374023734 /nfs/dbraw/zinc/02/37/34/374023734.db2.gz MSGOYUSNJXQCDH-CMPLNLGQSA-N 2 0 256.350 -0.645 20 0 CBADRP C[NH+](C)CC1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529372745 374012811 /nfs/dbraw/zinc/01/28/11/374012811.db2.gz HBERYKKAVFPTTA-ZDUSSCGKSA-N 2 0 284.404 -0.042 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529373581 374015761 /nfs/dbraw/zinc/01/57/61/374015761.db2.gz FZPNDDOWGSKVHQ-ZDUSSCGKSA-N 2 0 284.404 -0.042 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529376721 374016879 /nfs/dbraw/zinc/01/68/79/374016879.db2.gz SAVPENNNVUKBIJ-AGIUHOORSA-N 2 0 284.404 -0.044 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529378664 374019855 /nfs/dbraw/zinc/01/98/55/374019855.db2.gz XTOFVPOBJAIINS-CHWSQXEVSA-N 2 0 284.404 -0.042 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529387255 374024375 /nfs/dbraw/zinc/02/43/75/374024375.db2.gz LCFTYXGJWPPAIX-MNOVXSKESA-N 2 0 256.350 -0.632 20 0 CBADRP CN(C(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000529384042 374022023 /nfs/dbraw/zinc/02/20/23/374022023.db2.gz XWGPQQGHMYZQCT-YPMHNXCESA-N 2 0 282.388 -0.147 20 0 CBADRP C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3COCC[NH2+]3)C2)C1 ZINC000529386327 374024471 /nfs/dbraw/zinc/02/44/71/374024471.db2.gz KXLWEZFOUTURNF-OCCSQVGLSA-N 2 0 282.388 -0.288 20 0 CBADRP C[C@@H]([NH3+])C1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529387229 374024747 /nfs/dbraw/zinc/02/47/47/374024747.db2.gz KVUUDHVUYCIHJB-PWSUYJOCSA-N 2 0 270.377 -0.256 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000529387893 374027014 /nfs/dbraw/zinc/02/70/14/374027014.db2.gz MWYYFLJAKXZNEM-DGCLKSJQSA-N 2 0 268.361 -0.630 20 0 CBADRP O=C(N1CC[NH2+]CC1)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000530220733 374066971 /nfs/dbraw/zinc/06/69/71/374066971.db2.gz AOAQQBATVVOVHR-UHFFFAOYSA-N 3 0 295.431 -0.371 20 0 CBADRP COC[C@@H](C)C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530244478 374068552 /nfs/dbraw/zinc/06/85/52/374068552.db2.gz YGTTXKHAWVPBIF-ZDUSSCGKSA-N 2 0 284.404 -0.088 20 0 CBADRP CN1CCO[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000531252130 374121262 /nfs/dbraw/zinc/12/12/62/374121262.db2.gz NCBDZKQDNZMQSS-CYBMUJFWSA-N 3 0 286.420 -0.731 20 0 CBADRP Cn1cccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1=O ZINC000531357544 374132020 /nfs/dbraw/zinc/13/20/20/374132020.db2.gz YNLGCUXGNCKLRN-UHFFFAOYSA-N 2 0 294.399 -0.049 20 0 CBADRP CN1C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1=O ZINC000532001197 374155449 /nfs/dbraw/zinc/15/54/49/374155449.db2.gz MYBDVPNLRGCJIO-GFCCVEGCSA-N 2 0 299.419 -0.648 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCn1ccnn1 ZINC000549184341 374223780 /nfs/dbraw/zinc/22/37/80/374223780.db2.gz JVAJIYIQUMDZES-UHFFFAOYSA-N 2 0 282.392 -0.380 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C[C@H]3C[NH2+]CCO3)C[C@@H]21 ZINC000566561413 374330911 /nfs/dbraw/zinc/33/09/11/374330911.db2.gz YETKVQSKHSBRHH-MROQNXINSA-N 2 0 267.373 -0.049 20 0 CBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3)C2)CC1 ZINC000583323189 374360841 /nfs/dbraw/zinc/36/08/41/374360841.db2.gz GQFWSXJUCJYMHM-HZSPNIEDSA-N 2 0 280.416 -0.038 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)CCOC3C[NH2+]C3)[C@@H]2C1 ZINC000583320411 374361165 /nfs/dbraw/zinc/36/11/65/374361165.db2.gz SJDHNZUCBGZMQR-DGCLKSJQSA-N 2 0 267.373 -0.083 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000583333859 374362035 /nfs/dbraw/zinc/36/20/35/374362035.db2.gz HYSJIFOSMXUZSK-LBPRGKRZSA-N 2 0 282.388 -0.547 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000583321129 374362102 /nfs/dbraw/zinc/36/21/02/374362102.db2.gz LXNFPBSFKMXTJA-GFCCVEGCSA-N 2 0 255.362 -0.049 20 0 CBADRP CC(C)C[C@H]([NH3+])CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000583764173 374368131 /nfs/dbraw/zinc/36/81/31/374368131.db2.gz ZHGXCUCTXTZNCM-QJPTWQEYSA-N 2 0 254.378 -0.396 20 0 CBADRP O=C(NCC[N@H+]1CC=CCC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000584400655 374371022 /nfs/dbraw/zinc/37/10/22/374371022.db2.gz KFVCXXKAGXCDOX-ZDUSSCGKSA-N 2 0 282.388 -0.074 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000577951780 374347250 /nfs/dbraw/zinc/34/72/50/374347250.db2.gz SPTRQYKBFVRMAS-XQQFMLRXSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000606347546 374380173 /nfs/dbraw/zinc/38/01/73/374380173.db2.gz APKJZTGTFPGTEQ-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3[NH3+])C2)nn1 ZINC000643801157 374430041 /nfs/dbraw/zinc/43/00/41/374430041.db2.gz DXXVRCNENBEMJX-MXWKQRLJSA-N 2 0 264.333 -0.753 20 0 CBADRP O=C(NCC[NH2+]C1CC1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000644083458 374485674 /nfs/dbraw/zinc/48/56/74/374485674.db2.gz DAYFHOAAPZGDPB-NSHDSACASA-N 2 0 278.360 -0.316 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000644124081 374490555 /nfs/dbraw/zinc/49/05/55/374490555.db2.gz SHTXWOGNKRSNMN-DGCLKSJQSA-N 2 0 296.415 -0.170 20 0 CBADRP [NH3+]Cc1cc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)ccn1 ZINC000644142919 374491613 /nfs/dbraw/zinc/49/16/13/374491613.db2.gz OWUBQNXYWHYEFH-ONGXEEELSA-N 2 0 252.293 -0.030 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000574524618 335026972 /nfs/dbraw/zinc/02/69/72/335026972.db2.gz DQSNKPIEVZDNTB-ZIAGYGMSSA-N 2 0 271.405 -0.389 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000644543646 374592534 /nfs/dbraw/zinc/59/25/34/374592534.db2.gz FWRAJXBSKJPLAP-SDDRHHMPSA-N 2 0 255.362 -0.049 20 0 CBADRP CN1CCC[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000644547945 374592737 /nfs/dbraw/zinc/59/27/37/374592737.db2.gz HRJQNTBDOPJFJU-KGLIPLIRSA-N 2 0 270.421 -0.722 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000644554022 374592764 /nfs/dbraw/zinc/59/27/64/374592764.db2.gz FMYCYTITOFWGIG-GXTWGEPZSA-N 2 0 271.405 -0.248 20 0 CBADRP C[NH+]1CCC(N2CC[C@H]([NH2+]CCC(N)=O)C2)CC1 ZINC000644561943 374595140 /nfs/dbraw/zinc/59/51/40/374595140.db2.gz JYWBYVZBPCAAPB-NSHDSACASA-N 2 0 254.378 -0.380 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCC(C)(C)CO)CC1 ZINC000644598215 374601269 /nfs/dbraw/zinc/60/12/69/374601269.db2.gz PBCMCGQCKUSIBG-CQSZACIVSA-N 2 0 287.448 -0.017 20 0 CBADRP COC[C@H](O)C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000644677958 374608507 /nfs/dbraw/zinc/60/85/07/374608507.db2.gz RQVWFKKWZKGHHR-CYBMUJFWSA-N 2 0 259.394 -0.391 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000645684889 374692270 /nfs/dbraw/zinc/69/22/70/374692270.db2.gz LWJVYQVUJBXKQT-JTQLQIEISA-N 2 0 266.349 -0.549 20 0 CBADRP COC1CC[NH+](CCNC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000646181070 374750980 /nfs/dbraw/zinc/75/09/80/374750980.db2.gz SZICJYKGVGLMCQ-GFCCVEGCSA-N 2 0 285.388 -0.408 20 0 CBADRP C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000646208007 374755745 /nfs/dbraw/zinc/75/57/45/374755745.db2.gz PHUDZXJBDZYGDD-JQWIXIFHSA-N 2 0 255.362 -0.348 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H](C)C[C@H](C)[NH3+])CCO1 ZINC000646216775 374759785 /nfs/dbraw/zinc/75/97/85/374759785.db2.gz WDTCMYCULGNVMZ-MMWGEVLESA-N 2 0 258.366 -0.130 20 0 CBADRP CC(C)([NH3+])CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000645869609 374709859 /nfs/dbraw/zinc/70/98/59/374709859.db2.gz LTWVXTDMKXUCCW-NSHDSACASA-N 2 0 284.404 -0.183 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000645891279 374710989 /nfs/dbraw/zinc/71/09/89/374710989.db2.gz NQMJKTSVAPLPNZ-QWHCGFSZSA-N 2 0 294.399 -0.449 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)COCC[NH3+] ZINC000645905741 374712563 /nfs/dbraw/zinc/71/25/63/374712563.db2.gz ZUSOPGXNDZPBEJ-LLVKDONJSA-N 2 0 259.350 -0.811 20 0 CBADRP C[C@H]1COCCN1CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645932840 374712826 /nfs/dbraw/zinc/71/28/26/374712826.db2.gz MJEYRIWRPBNEFE-QWRGUYRKSA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645947312 374716887 /nfs/dbraw/zinc/71/68/87/374716887.db2.gz XWGDYOJCUCFBKY-NEPJUHHUSA-N 2 0 268.405 -0.264 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645947314 374717813 /nfs/dbraw/zinc/71/78/13/374717813.db2.gz XWGDYOJCUCFBKY-RYUDHWBXSA-N 2 0 268.405 -0.264 20 0 CBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H]3C[C@H](F)C[NH2+]3)C2)CC1 ZINC000645977465 374720559 /nfs/dbraw/zinc/72/05/59/374720559.db2.gz AFBSYOGEJCXHPT-SGMGOOAPSA-N 3 0 298.406 -0.029 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000646003145 374725171 /nfs/dbraw/zinc/72/51/71/374725171.db2.gz UKCFQNLKAZEZFE-OLZOCXBDSA-N 2 0 268.405 -0.038 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)C1 ZINC000646003123 374725193 /nfs/dbraw/zinc/72/51/93/374725193.db2.gz SQEURUSZXQEPMA-ZIAGYGMSSA-N 2 0 280.416 -0.023 20 0 CBADRP CC(C)([NH3+])CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009327 374726226 /nfs/dbraw/zinc/72/62/26/374726226.db2.gz BAKOZKTURDWBPX-CYBMUJFWSA-N 2 0 298.431 -0.364 20 0 CBADRP [NH3+]C1(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCC1 ZINC000646009507 374726277 /nfs/dbraw/zinc/72/62/77/374726277.db2.gz OIDJXNAJKYOCHV-ZDUSSCGKSA-N 2 0 296.415 -0.610 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000646012143 374726954 /nfs/dbraw/zinc/72/69/54/374726954.db2.gz GZSRRRNSSJLSLL-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000646012144 374727783 /nfs/dbraw/zinc/72/77/83/374727783.db2.gz GZSRRRNSSJLSLL-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)N1CC[NH+](C)CC1 ZINC000646027035 374731764 /nfs/dbraw/zinc/73/17/64/374731764.db2.gz XSUJFYTXTZIMSO-RYUDHWBXSA-N 2 0 268.405 -0.264 20 0 CBADRP C[NH+]1CCC2(CC1)CN(CCN1C(=O)CCC1=O)CCO2 ZINC000646104013 374740441 /nfs/dbraw/zinc/74/04/41/374740441.db2.gz VXDDZFDEZOOAGM-UHFFFAOYSA-N 2 0 295.383 -0.068 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)C12CCC[NH+]1CCC2 ZINC000646633132 374796613 /nfs/dbraw/zinc/79/66/13/374796613.db2.gz RTENTVUGJXRBKM-UHFFFAOYSA-N 2 0 266.389 -0.364 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000646635029 374796629 /nfs/dbraw/zinc/79/66/29/374796629.db2.gz RTJHPQUMIYQDHB-NWDGAFQWSA-N 2 0 263.345 -0.101 20 0 CBADRP O=C(NC[C@H]1CCCC[NH2+]1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000646651355 374800042 /nfs/dbraw/zinc/80/00/42/374800042.db2.gz XPSSOMBCTLTACD-VXGBXAGGSA-N 2 0 292.387 -0.098 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CCCC[NH2+]1 ZINC000646649509 374800194 /nfs/dbraw/zinc/80/01/94/374800194.db2.gz ITCAVUNQIDNQGC-NWDGAFQWSA-N 2 0 282.388 -0.497 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000646667619 374802521 /nfs/dbraw/zinc/80/25/21/374802521.db2.gz WOZKRLVAYYVKDQ-NSHDSACASA-N 2 0 282.388 -0.429 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000646667621 374802632 /nfs/dbraw/zinc/80/26/32/374802632.db2.gz XLJUJGISMVLPLR-GHMZBOCLSA-N 2 0 282.388 -0.702 20 0 CBADRP C[NH2+]CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000646680228 374803718 /nfs/dbraw/zinc/80/37/18/374803718.db2.gz ATXVABGVYZJLDS-OPQQBVKSSA-N 2 0 255.362 -0.146 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000646774158 374810848 /nfs/dbraw/zinc/81/08/48/374810848.db2.gz PPYGOMFRNJEVJL-SNVBAGLBSA-N 2 0 268.365 -0.270 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)c1cn(CCC[NH3+])nn1 ZINC000646837258 374824684 /nfs/dbraw/zinc/82/46/84/374824684.db2.gz NXPUSTDRKKVKME-SNVBAGLBSA-N 2 0 268.365 -0.126 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CCO1 ZINC000646843842 374825205 /nfs/dbraw/zinc/82/52/05/374825205.db2.gz MKMDXBSPARYDJG-ZPFDUUQYSA-N 2 0 253.346 -0.439 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CCO1 ZINC000646844735 374825567 /nfs/dbraw/zinc/82/55/67/374825567.db2.gz ZRPHRWFNNAABCW-SDDRHHMPSA-N 2 0 267.373 -0.049 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)COC2CCC([NH3+])CC2)CCO1 ZINC000646844186 374825620 /nfs/dbraw/zinc/82/56/20/374825620.db2.gz PQBOETZONWSQTN-XVSSEFHLSA-N 2 0 285.388 -0.153 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)[C@H](C)C[NH2+]1 ZINC000646298133 374768372 /nfs/dbraw/zinc/76/83/72/374768372.db2.gz DNOQROANWUTBMR-IJLUTSLNSA-N 2 0 292.387 -0.148 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646338163 374770836 /nfs/dbraw/zinc/77/08/36/374770836.db2.gz CNBPPPWWACYWCZ-TUAOUCFPSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)C1CCOCC1 ZINC000646336596 374770887 /nfs/dbraw/zinc/77/08/87/374770887.db2.gz YUIYPCORONRVJC-UHTWSYAYSA-N 2 0 267.373 -0.049 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000646331586 374771154 /nfs/dbraw/zinc/77/11/54/374771154.db2.gz BNRBHFVKIILWBI-XQQFMLRXSA-N 2 0 294.399 -0.402 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646336392 374771224 /nfs/dbraw/zinc/77/12/24/374771224.db2.gz QTMWYAPVIQIYGP-UTUOFQBUSA-N 2 0 253.346 -0.425 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646336385 374771241 /nfs/dbraw/zinc/77/12/41/374771241.db2.gz QSHCVWNBZOAPAP-XQQFMLRXSA-N 2 0 294.399 -0.545 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646336174 374771342 /nfs/dbraw/zinc/77/13/42/374771342.db2.gz KAMXUSDASAWSMX-QJPTWQEYSA-N 2 0 280.372 -0.935 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000646385494 374775960 /nfs/dbraw/zinc/77/59/60/374775960.db2.gz SWBJFTYAMAFDOB-AVGNSLFASA-N 2 0 267.373 -0.177 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000646385496 374776244 /nfs/dbraw/zinc/77/62/44/374776244.db2.gz SWBJFTYAMAFDOB-XQQFMLRXSA-N 2 0 267.373 -0.177 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)C[NH2+]C2CC2)CC1 ZINC000646412021 374777680 /nfs/dbraw/zinc/77/76/80/374777680.db2.gz WFTPHEBPPNVGAO-UHFFFAOYSA-N 2 0 254.378 -0.508 20 0 CBADRP [NH3+]CCOCC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000646554999 374785683 /nfs/dbraw/zinc/78/56/83/374785683.db2.gz AXSBYAIXWNFUGS-UHFFFAOYSA-N 2 0 255.362 -0.048 20 0 CBADRP CCC[C@](C)([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000646576207 374790863 /nfs/dbraw/zinc/79/08/63/374790863.db2.gz GGPGCRHOYWICBT-ZDUSSCGKSA-N 2 0 256.394 -0.085 20 0 CBADRP COCC1(CNC(=O)C[C@H]2C[NH2+]CCO2)CC[NH2+]CC1 ZINC000647037943 374866325 /nfs/dbraw/zinc/86/63/25/374866325.db2.gz ILHOJWUSVBKMTO-LBPRGKRZSA-N 2 0 285.388 -0.503 20 0 CBADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000647087732 374883670 /nfs/dbraw/zinc/88/36/70/374883670.db2.gz AIXPHYLMMCKWCK-HZSPNIEDSA-N 2 0 297.399 -0.280 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000647086475 374884202 /nfs/dbraw/zinc/88/42/02/374884202.db2.gz QBKMAUNNPAVOPG-QJPTWQEYSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H]1CC2(CN1C(=O)COCC[NH3+])CC[NH2+]CC2 ZINC000647096376 374885894 /nfs/dbraw/zinc/88/58/94/374885894.db2.gz MMCATKCSSRMEDH-LLVKDONJSA-N 2 0 255.362 -0.048 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CCC2(CC[NH2+]2)CC1 ZINC000647095523 374886074 /nfs/dbraw/zinc/88/60/74/374886074.db2.gz QZVGXYFSGVBURM-UHFFFAOYSA-N 2 0 253.346 -0.281 20 0 CBADRP [NH3+][C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000646905186 374836737 /nfs/dbraw/zinc/83/67/37/374836737.db2.gz PDQJBSAVOINNIJ-GHMZBOCLSA-N 2 0 268.361 -0.902 20 0 CBADRP COC[C@@]1(C(=O)N[C@H]2CCC[NH2+]CC2)CC[NH2+]C1 ZINC000646984924 374855899 /nfs/dbraw/zinc/85/58/99/374855899.db2.gz DMYAFXSUHIIHPB-WCQYABFASA-N 2 0 255.362 -0.129 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CCC[NH2+]CC2)CC[NH2+]C1 ZINC000646984922 374856395 /nfs/dbraw/zinc/85/63/95/374856395.db2.gz DMYAFXSUHIIHPB-AAEUAGOBSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CCC[NH2+]CC1 ZINC000646988671 374857504 /nfs/dbraw/zinc/85/75/04/374857504.db2.gz XIDWISHICXGLEX-RYUDHWBXSA-N 2 0 282.388 -0.497 20 0 CBADRP CC[C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000647006616 374858751 /nfs/dbraw/zinc/85/87/51/374858751.db2.gz SIIILYANGQYUQC-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000647014959 374860452 /nfs/dbraw/zinc/86/04/52/374860452.db2.gz DINMLCLKSRADJN-IJLUTSLNSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CC[C@H]1CCCN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000647026711 374862925 /nfs/dbraw/zinc/86/29/25/374862925.db2.gz IGDCBCGDECDXFD-NEPJUHHUSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000574573105 335030695 /nfs/dbraw/zinc/03/06/95/335030695.db2.gz QJVZFZWHNJUBLS-VXGBXAGGSA-N 2 0 254.378 -0.523 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000574584333 335031983 /nfs/dbraw/zinc/03/19/83/335031983.db2.gz FWAXYHDULXIWTM-WOPDTQHZSA-N 2 0 297.403 -0.543 20 0 CBADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)NCC[NH2+]C)CC1 ZINC000419904555 284579102 /nfs/dbraw/zinc/57/91/02/284579102.db2.gz XRTIRKYPUCTOAX-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[N@H+](C)CCNC(=O)NCCN1CCOC[C@@H]1C ZINC000356210896 248213744 /nfs/dbraw/zinc/21/37/44/248213744.db2.gz UYDJAMVXMGYDKO-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP CCCS(=O)(=O)NC1CC[NH+](CCOCC[NH3+])CC1 ZINC000357080639 248319349 /nfs/dbraw/zinc/31/93/49/248319349.db2.gz UTXSDQJSUFZEAV-UHFFFAOYSA-N 2 0 293.433 -0.245 20 0 CBADRP CN(CC(=O)NC1CC[NH+](C2CC2)CC1)C1C[NH2+]C1 ZINC000357081700 248320135 /nfs/dbraw/zinc/32/01/35/248320135.db2.gz NWRFLCBQGLLCPR-UHFFFAOYSA-N 2 0 266.389 -0.367 20 0 CBADRP O=C1CNC(=O)N1CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357093408 248322913 /nfs/dbraw/zinc/32/29/13/248322913.db2.gz YHHPQBYAZXTKDC-GFCCVEGCSA-N 2 0 280.372 -0.140 20 0 CBADRP C[C@H](C[NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000357181141 248332137 /nfs/dbraw/zinc/33/21/37/248332137.db2.gz WTMLSHTXOQVDHO-NXEZZACHSA-N 2 0 256.350 -0.963 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000357221039 248334469 /nfs/dbraw/zinc/33/44/69/248334469.db2.gz BNBPDQQMPUUNKH-AWEZNQCLSA-N 2 0 299.415 -0.018 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]([NH3+])COC ZINC000357228156 248337557 /nfs/dbraw/zinc/33/75/57/248337557.db2.gz SJICDPVCHLEVHK-QWRGUYRKSA-N 2 0 261.366 -0.567 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000357235313 248337615 /nfs/dbraw/zinc/33/76/15/248337615.db2.gz BOUAZKAXWFSFBJ-LBPRGKRZSA-N 2 0 284.404 -0.406 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000357229834 248337734 /nfs/dbraw/zinc/33/77/34/248337734.db2.gz VVDPTTXGYLOHJI-ZDUSSCGKSA-N 2 0 297.399 -0.312 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000357250282 248339366 /nfs/dbraw/zinc/33/93/66/248339366.db2.gz UAYXKZZMCMEXAW-NQBHXWOUSA-N 2 0 267.373 -0.036 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000357303235 248348805 /nfs/dbraw/zinc/34/88/05/248348805.db2.gz IHQZEVWIQLQANE-VCDKRKBESA-N 2 0 284.404 -0.411 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000357346314 248352864 /nfs/dbraw/zinc/35/28/64/248352864.db2.gz VNHWSDUOFAYJEA-UHFFFAOYSA-N 2 0 268.405 -0.166 20 0 CBADRP C[NH+](C)C/C=C/C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000265687876 190200432 /nfs/dbraw/zinc/20/04/32/190200432.db2.gz MGGCEUOQRLXIPP-NTYUQYKDSA-N 2 0 282.388 -0.440 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000574680998 335039025 /nfs/dbraw/zinc/03/90/25/335039025.db2.gz WPKQHVCGTASUHM-STQMWFEESA-N 2 0 283.420 -0.374 20 0 CBADRP O=C(N1CC[C@]2(CC[NH2+]C2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653129898 412884973 /nfs/dbraw/zinc/88/49/73/412884973.db2.gz NITADFCTKSYWMQ-UBHSHLNASA-N 2 0 265.357 -0.566 20 0 CBADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653128010 412885011 /nfs/dbraw/zinc/88/50/11/412885011.db2.gz HKZAHWPXMFEJLN-NHYWBVRUSA-N 2 0 288.351 -0.098 20 0 CBADRP C[NH+](C)C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653125752 412885442 /nfs/dbraw/zinc/88/54/42/412885442.db2.gz ZHLURHBAOZLBLK-FZMZJTMJSA-N 2 0 267.373 -0.225 20 0 CBADRP [NH3+][C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000418494363 295294761 /nfs/dbraw/zinc/29/47/61/295294761.db2.gz XSZZPDNRPRICAU-OLZOCXBDSA-N 2 0 284.404 -0.130 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCC[NH2+]C ZINC000418920801 284702453 /nfs/dbraw/zinc/70/24/53/284702453.db2.gz BZMCPBMHLUNCIJ-NSHDSACASA-N 2 0 272.393 -0.441 20 0 CBADRP Cn1cc(C[NH+]2CCC(C[NH3+])CC2)c(=O)n(C)c1=O ZINC000346688356 217988341 /nfs/dbraw/zinc/98/83/41/217988341.db2.gz NMOADJMTCBWHSD-UHFFFAOYSA-N 2 0 266.345 -0.745 20 0 CBADRP Cn1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(=O)n(C)c1=O ZINC000347013346 218092966 /nfs/dbraw/zinc/09/29/66/218092966.db2.gz HYOBRWBNIJFEJX-FUNVUKJBSA-N 2 0 292.383 -0.201 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@H](C)CC[NH+](C)C ZINC000347186987 218150122 /nfs/dbraw/zinc/15/01/22/218150122.db2.gz FTIMUSCBQGIDQV-GFCCVEGCSA-N 2 0 274.409 -0.060 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419839472 284776456 /nfs/dbraw/zinc/77/64/56/284776456.db2.gz HLSPUQHZDPZOIZ-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)C[NH3+])C[C@@H]1C ZINC000347607542 218290393 /nfs/dbraw/zinc/29/03/93/218290393.db2.gz CBSSKKOKLXTSNO-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CNC(=O)C[NH3+])[C@@H](C)C1 ZINC000347651338 218307142 /nfs/dbraw/zinc/30/71/42/218307142.db2.gz RHLMUSCRPYUWRH-QWRGUYRKSA-N 2 0 270.377 -0.750 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419788204 284792692 /nfs/dbraw/zinc/79/26/92/284792692.db2.gz ZCFHFILPQZWJIC-UPJWGTAASA-N 2 0 296.415 -0.489 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000347833142 218371358 /nfs/dbraw/zinc/37/13/58/218371358.db2.gz CRGBKTFHTDFEKF-GFCCVEGCSA-N 2 0 256.394 -0.311 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)NCCN1CC[NH2+]CC1 ZINC000417010957 207551474 /nfs/dbraw/zinc/55/14/74/207551474.db2.gz QUMBZOOHCPHDTA-CYBMUJFWSA-N 2 0 285.436 -0.079 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417439658 207555425 /nfs/dbraw/zinc/55/54/25/207555425.db2.gz MMAWOZKCMUQOQR-NSHDSACASA-N 2 0 258.366 -0.399 20 0 CBADRP C[C@@H]1CCN(C(=O)NCCN2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000418292899 207575339 /nfs/dbraw/zinc/57/53/39/207575339.db2.gz DVJLWXKPXVBPMJ-CHWSQXEVSA-N 2 0 283.420 -0.482 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418643936 207601969 /nfs/dbraw/zinc/60/19/69/207601969.db2.gz UWOAUSOTRWOEDU-CMPLNLGQSA-N 2 0 258.366 -0.209 20 0 CBADRP COC[C@@]1(CNC(=O)NC[C@@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000418380313 207582179 /nfs/dbraw/zinc/58/21/79/207582179.db2.gz WUOZVAPFJGYEMU-AAEUAGOBSA-N 2 0 270.377 -0.194 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418585680 207596566 /nfs/dbraw/zinc/59/65/66/207596566.db2.gz DSYKAGXSMPPHLK-OLZOCXBDSA-N 2 0 283.420 -0.293 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000418825970 207611050 /nfs/dbraw/zinc/61/10/50/207611050.db2.gz FNDSAODYXSTBTR-JTQLQIEISA-N 2 0 298.412 -0.197 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCCC1 ZINC000418845376 207613696 /nfs/dbraw/zinc/61/36/96/207613696.db2.gz VFOPBUSVPSMUBS-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000418956834 207624071 /nfs/dbraw/zinc/62/40/71/207624071.db2.gz ZLDUJOLJNAWXSP-NEPJUHHUSA-N 2 0 286.420 -0.068 20 0 CBADRP C[C@H](CNC(=O)C(=O)N(C)CC[NH3+])[NH+]1CCC(C)CC1 ZINC000419142932 207649313 /nfs/dbraw/zinc/64/93/13/207649313.db2.gz CUZQKDRTJBXGBX-GFCCVEGCSA-N 2 0 284.404 -0.360 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000376720975 532982876 /nfs/dbraw/zinc/98/28/76/532982876.db2.gz OUQCVPNLKLMDNT-CMPLNLGQSA-N 2 0 259.325 -0.475 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C1(OC)CC[NH2+]CC1 ZINC000167264281 285019577 /nfs/dbraw/zinc/01/95/77/285019577.db2.gz NYUJJKBTINFXNY-CYBMUJFWSA-N 2 0 299.415 -0.018 20 0 CBADRP C[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])C(C)(C)C[NH+](C)C ZINC000419544804 207704430 /nfs/dbraw/zinc/70/44/30/207704430.db2.gz LNGJZVLZTFHUHJ-WDEREUQCSA-N 2 0 286.420 -0.210 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000237092321 285035761 /nfs/dbraw/zinc/03/57/61/285035761.db2.gz ILRUQAYUVUWIGJ-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000419872987 207750660 /nfs/dbraw/zinc/75/06/60/207750660.db2.gz LQGWUZZRNBLXBC-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N(CC)CCC[NH+](C)C ZINC000420161069 207799014 /nfs/dbraw/zinc/79/90/14/207799014.db2.gz VLKYNTLUCNFIKS-GFCCVEGCSA-N 2 0 286.420 -0.099 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)CCO1 ZINC000424160471 207963175 /nfs/dbraw/zinc/96/31/75/207963175.db2.gz WVAIHMVJGSMPBF-QWRGUYRKSA-N 2 0 293.371 -0.324 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424177109 207968931 /nfs/dbraw/zinc/96/89/31/207968931.db2.gz PLXUSHPWXVJXFV-NXEZZACHSA-N 2 0 266.349 -0.330 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000426308844 208046279 /nfs/dbraw/zinc/04/62/79/208046279.db2.gz GQZKIAKPSPVWJB-KBPBESRZSA-N 2 0 280.416 -0.025 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C2CC2)C1 ZINC000427472899 208062464 /nfs/dbraw/zinc/06/24/64/208062464.db2.gz SUJGKOZEPBYRLN-OCCSQVGLSA-N 2 0 267.373 -0.204 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000427600247 208063240 /nfs/dbraw/zinc/06/32/40/208063240.db2.gz FHVJHBIUEGCYDJ-CHWSQXEVSA-N 2 0 268.405 -0.262 20 0 CBADRP CC[NH+]1CCN(CC(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000427574715 208064292 /nfs/dbraw/zinc/06/42/92/208064292.db2.gz YRFSAPOWRZUYSM-UHFFFAOYSA-N 2 0 266.389 -0.340 20 0 CBADRP CC[C@H]1CN(CCNC(=O)[C@@H]2CN(C)CCO2)CCO1 ZINC000428086315 208077474 /nfs/dbraw/zinc/07/74/74/208077474.db2.gz BCIIOVKLXFLWRK-STQMWFEESA-N 2 0 285.388 -0.456 20 0 CBADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428189154 208081202 /nfs/dbraw/zinc/08/12/02/208081202.db2.gz BDUTUDOEGUDHTJ-ZYHUDNBSSA-N 2 0 270.377 -0.750 20 0 CBADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428189148 208081636 /nfs/dbraw/zinc/08/16/36/208081636.db2.gz BDUTUDOEGUDHTJ-CMPLNLGQSA-N 2 0 270.377 -0.750 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000428158322 208082085 /nfs/dbraw/zinc/08/20/85/208082085.db2.gz QLVKWLGSOPISQB-UHFFFAOYSA-N 2 0 268.405 -0.179 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000377806686 533027287 /nfs/dbraw/zinc/02/72/87/533027287.db2.gz ICBSMCJPCXZCDG-NWDGAFQWSA-N 2 0 257.378 -0.027 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000429635641 208125518 /nfs/dbraw/zinc/12/55/18/208125518.db2.gz ZYBDGTCVOPPGPZ-KGLIPLIRSA-N 2 0 280.416 -0.023 20 0 CBADRP CN1CCN(C(=O)CC[N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000429685746 208128416 /nfs/dbraw/zinc/12/84/16/208128416.db2.gz PZMGLBOIYZJALO-ZDUSSCGKSA-N 2 0 269.389 -0.145 20 0 CBADRP CC(C)[C@@H]1C(=O)NCCN1CCC(=O)N1CCN(C)CC1 ZINC000429672480 208128479 /nfs/dbraw/zinc/12/84/79/208128479.db2.gz DSQMGNFNWVZYIM-CQSZACIVSA-N 2 0 296.415 -0.393 20 0 CBADRP CN1CCN(C(=O)CC[N@H+](C)CC(=O)NC(C)(C)C)CC1 ZINC000429671374 208129525 /nfs/dbraw/zinc/12/95/25/208129525.db2.gz KPWYRAYRGDBRKK-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@]1(CCOC)CC[NH2+]C1 ZINC000376817217 533027553 /nfs/dbraw/zinc/02/75/53/533027553.db2.gz ALFAVXAIWLVHLK-CYBMUJFWSA-N 2 0 273.377 -0.645 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000429166887 208113489 /nfs/dbraw/zinc/11/34/89/208113489.db2.gz KDJQGWSZMMAMRY-NWDGAFQWSA-N 2 0 284.404 -0.504 20 0 CBADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000430715516 208176875 /nfs/dbraw/zinc/17/68/75/208176875.db2.gz RYRJOZDUEFAIQQ-CYBMUJFWSA-N 2 0 299.415 -0.020 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[C@@H]([NH3+])C2)C1 ZINC000430618657 208168184 /nfs/dbraw/zinc/16/81/84/208168184.db2.gz VYTBTDYGIHVMCH-KGLIPLIRSA-N 2 0 298.431 -0.508 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000430729637 208175545 /nfs/dbraw/zinc/17/55/45/208175545.db2.gz HBETUTMURFCMCY-RYUDHWBXSA-N 2 0 271.361 -0.798 20 0 CBADRP C[N@H+](CCCN1CCOCC1)CC(=O)N1CC[NH2+]CC1 ZINC000430635688 208170175 /nfs/dbraw/zinc/17/01/75/208170175.db2.gz HQPYXZCRPURZFO-UHFFFAOYSA-N 2 0 284.404 -0.928 20 0 CBADRP O=C(COC1C[NH2+]C1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000430673485 208171575 /nfs/dbraw/zinc/17/15/75/208171575.db2.gz CYAFUPLPVQTLTK-VXGBXAGGSA-N 2 0 253.346 -0.282 20 0 CBADRP COCC[NH2+]CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000094460176 285075501 /nfs/dbraw/zinc/07/55/01/285075501.db2.gz DLAXGOVMSLLVSR-VXGBXAGGSA-N 2 0 255.362 -0.083 20 0 CBADRP COCC[NH2+]CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094460177 285075647 /nfs/dbraw/zinc/07/56/47/285075647.db2.gz DLAXGOVMSLLVSR-NWDGAFQWSA-N 2 0 255.362 -0.083 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000430792065 208180831 /nfs/dbraw/zinc/18/08/31/208180831.db2.gz GRPNWRQZACWQSI-KBPBESRZSA-N 2 0 297.399 -0.454 20 0 CBADRP O=C([C@H]1CC[NH2+]C1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000430796500 208182050 /nfs/dbraw/zinc/18/20/50/208182050.db2.gz ZBIZPGHLQMFMTH-STQMWFEESA-N 2 0 267.373 -0.223 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000430793896 208182484 /nfs/dbraw/zinc/18/24/84/208182484.db2.gz NMUQYCHQIYVIGV-CYBMUJFWSA-N 2 0 285.388 -0.597 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000430813878 208183913 /nfs/dbraw/zinc/18/39/13/208183913.db2.gz GKWKLYWAUJBWSE-GFCCVEGCSA-N 2 0 267.373 -0.081 20 0 CBADRP C[C@]1(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH2+]C1 ZINC000430892993 208187188 /nfs/dbraw/zinc/18/71/88/208187188.db2.gz HKSRQXNSBPHIPA-DOMZBBRYSA-N 2 0 296.415 -0.310 20 0 CBADRP [NH3+]CCC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000430893616 208187548 /nfs/dbraw/zinc/18/75/48/208187548.db2.gz HABOMHBCCDWEAK-LBPRGKRZSA-N 2 0 255.362 -0.094 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000430886509 208187755 /nfs/dbraw/zinc/18/77/55/208187755.db2.gz AMQDAQDCVXHRCZ-STQMWFEESA-N 2 0 296.415 -0.168 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000430892250 208188319 /nfs/dbraw/zinc/18/83/19/208188319.db2.gz CCEARPIDGKWWFZ-YNEHKIRRSA-N 2 0 296.415 -0.183 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000418571706 285078658 /nfs/dbraw/zinc/07/86/58/285078658.db2.gz ZDXHOOKAQICGBC-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CC1CC[NH2+]CC1 ZINC000430897128 208189597 /nfs/dbraw/zinc/18/95/97/208189597.db2.gz KEIIECGGEFXOMK-CYBMUJFWSA-N 2 0 296.415 -0.168 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000431005301 208194782 /nfs/dbraw/zinc/19/47/82/208194782.db2.gz MIMZSVIJKWFSNB-NEPJUHHUSA-N 2 0 255.362 -0.096 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000431002863 208194883 /nfs/dbraw/zinc/19/48/83/208194883.db2.gz CCLUYUCCHWPYCH-OLZOCXBDSA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000431006576 208196344 /nfs/dbraw/zinc/19/63/44/208196344.db2.gz YZBXKKCMSFYADX-NEPJUHHUSA-N 2 0 256.394 -0.406 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(C)(C)C[NH3+] ZINC000431025571 208198635 /nfs/dbraw/zinc/19/86/35/208198635.db2.gz ZETPBNIGZWNLFJ-LLVKDONJSA-N 2 0 256.394 -0.277 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000431027124 208199344 /nfs/dbraw/zinc/19/93/44/208199344.db2.gz HHDMAVJRYZQCDX-VXGBXAGGSA-N 2 0 256.394 -0.406 20 0 CBADRP Cn1c(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc(=O)n(C)c1=O ZINC000431021540 208199760 /nfs/dbraw/zinc/19/97/60/208199760.db2.gz JZMNNTURDWEXQF-UHFFFAOYSA-N 2 0 292.383 -0.341 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000431022086 208200177 /nfs/dbraw/zinc/20/01/77/208200177.db2.gz METWGLNOQMEYPH-JSGCOSHPSA-N 2 0 268.405 -0.262 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000431053522 208201711 /nfs/dbraw/zinc/20/17/11/208201711.db2.gz OGDCBAOHIICECE-LLVKDONJSA-N 2 0 253.346 -0.329 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000431027770 208202221 /nfs/dbraw/zinc/20/22/21/208202221.db2.gz KVVFKDTYXCBGLH-KGLIPLIRSA-N 2 0 298.431 -0.493 20 0 CBADRP CN1C[C@@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1=O ZINC000433124803 208237450 /nfs/dbraw/zinc/23/74/50/208237450.db2.gz GAEWDLDWTRAKEX-LBPRGKRZSA-N 2 0 282.388 -0.463 20 0 CBADRP CC(C)[C@H](C[NH3+])C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000433169500 208239640 /nfs/dbraw/zinc/23/96/40/208239640.db2.gz RNFWQHAZBJLRFA-STQMWFEESA-N 2 0 270.421 -0.031 20 0 CBADRP CC(C)[C@@H](C[NH3+])C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000433167770 208240250 /nfs/dbraw/zinc/24/02/50/208240250.db2.gz JWYJQRXCANZTRO-QWHCGFSZSA-N 2 0 270.421 -0.031 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000435086260 208274594 /nfs/dbraw/zinc/27/45/94/208274594.db2.gz TVBJLFFONBJYRD-AWEZNQCLSA-N 2 0 282.388 -0.734 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@H]1C ZINC000434668842 208264531 /nfs/dbraw/zinc/26/45/31/208264531.db2.gz DFPDTDGRGKBICF-SRVKXCTJSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H]1CCCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@H]1C[NH3+] ZINC000354669319 296367950 /nfs/dbraw/zinc/36/79/50/296367950.db2.gz IBCQHIFTQVCWIZ-UPJWGTAASA-N 2 0 296.415 -0.170 20 0 CBADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000443065366 208377516 /nfs/dbraw/zinc/37/75/16/208377516.db2.gz ZRILHJMZQRVZJL-NSHDSACASA-N 2 0 268.361 -0.994 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000574862101 335052977 /nfs/dbraw/zinc/05/29/77/335052977.db2.gz CPPMGIVNBIHIDX-VXGBXAGGSA-N 2 0 271.409 -0.356 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNC(C)=O ZINC000338093346 285243716 /nfs/dbraw/zinc/24/37/16/285243716.db2.gz NCZAXIDRKVQDML-CQSZACIVSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419980819 285255959 /nfs/dbraw/zinc/25/59/59/285255959.db2.gz RJZFNJBXEATJNW-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)COC1C[NH2+]C1 ZINC000430730875 285271273 /nfs/dbraw/zinc/27/12/73/285271273.db2.gz UBQJOYRGBVXWIZ-NSHDSACASA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CNC(=O)C[NH3+] ZINC000347690052 296427568 /nfs/dbraw/zinc/42/75/68/296427568.db2.gz MFBWEKQIVZMHRX-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNC(C)=O ZINC000338093345 285276402 /nfs/dbraw/zinc/27/64/02/285276402.db2.gz NCZAXIDRKVQDML-AWEZNQCLSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000420011284 285285020 /nfs/dbraw/zinc/28/50/20/285285020.db2.gz YQJTXITZNLIWDO-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N(C)[C@H]2CC[NH2+]C2)CC1 ZINC000179091802 285315591 /nfs/dbraw/zinc/31/55/91/285315591.db2.gz XGDXEHYRZPOXRK-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000236884275 285322202 /nfs/dbraw/zinc/32/22/02/285322202.db2.gz LMSLUGXWRHVLFJ-ZIAGYGMSSA-N 2 0 282.432 -0.014 20 0 CBADRP CNC(=O)NC(=O)[C@@H](C)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000575046899 335058798 /nfs/dbraw/zinc/05/87/98/335058798.db2.gz UZPAWJRIZNJECS-GHMZBOCLSA-N 2 0 298.387 -0.482 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000575058743 335060475 /nfs/dbraw/zinc/06/04/75/335060475.db2.gz SFKOBZBLVCKOJR-GRYCIOLGSA-N 2 0 255.362 -0.001 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000418945698 285589423 /nfs/dbraw/zinc/58/94/23/285589423.db2.gz NHSLSEDLTDLDME-NSHDSACASA-N 2 0 272.393 -0.441 20 0 CBADRP CN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[C@@H]1CC[NH2+]C1 ZINC000179085862 289157848 /nfs/dbraw/zinc/15/78/48/289157848.db2.gz KFEVLSVVUUJQHM-VXGBXAGGSA-N 2 0 282.388 -0.783 20 0 CBADRP C[NH+](C)CCOCC[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000423073210 289170047 /nfs/dbraw/zinc/17/00/47/289170047.db2.gz QYFDYGFBXKARHM-UONOGXRCSA-N 2 0 271.405 -0.079 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333874070 296583513 /nfs/dbraw/zinc/58/35/13/296583513.db2.gz VBLMJFWNXUTTBK-MGPQQGTHSA-N 2 0 295.431 -0.327 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC2([NH3+])CCC2)CCO1 ZINC000332452819 289197797 /nfs/dbraw/zinc/19/77/97/289197797.db2.gz HQRVGHCDADUGFA-LLVKDONJSA-N 2 0 270.377 -0.160 20 0 CBADRP C[NH+](C)C[C@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CCO1 ZINC000188904588 289216762 /nfs/dbraw/zinc/21/67/62/289216762.db2.gz SSPOEDZOJXZJOR-GARJFASQSA-N 2 0 259.325 -0.525 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000423998648 296647096 /nfs/dbraw/zinc/64/70/96/296647096.db2.gz ZXFGNAMOAIKHLA-UTUOFQBUSA-N 2 0 255.362 -0.036 20 0 CBADRP O=C([C@H]1CCC[NH2+]1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377563146 304431108 /nfs/dbraw/zinc/43/11/08/304431108.db2.gz MQWGGXRXCJCYDS-NWDGAFQWSA-N 2 0 252.362 -0.756 20 0 CBADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)C(N)=O)CC1 ZINC000247193304 287086312 /nfs/dbraw/zinc/08/63/12/287086312.db2.gz OGMONRTZDITQTC-GHMZBOCLSA-N 2 0 257.378 -0.115 20 0 CBADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCC[NH3+] ZINC000419030613 298657727 /nfs/dbraw/zinc/65/77/27/298657727.db2.gz UBYHNKDNTYHFID-JHJVBQTASA-N 2 0 298.431 -0.066 20 0 CBADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000332092140 287218372 /nfs/dbraw/zinc/21/83/72/287218372.db2.gz BSQMQVNRZAVKMZ-JHJVBQTASA-N 2 0 294.399 -0.450 20 0 CBADRP CC(C)[NH+](CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1)C(C)C ZINC000020433893 171198812 /nfs/dbraw/zinc/19/88/12/171198812.db2.gz WNNQOUDLAWNLJA-NWDGAFQWSA-N 2 0 257.378 -0.056 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662752456 413990737 /nfs/dbraw/zinc/99/07/37/413990737.db2.gz QQODFQWJXTUCMP-UHFFFAOYSA-N 2 0 267.333 -0.403 20 0 CBADRP CC(C)[C@H](C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[C@H](C)[NH3+] ZINC000662750123 413992102 /nfs/dbraw/zinc/99/21/02/413992102.db2.gz PWDAPROYDRSEFF-UFBFGSQYSA-N 2 0 281.360 -0.124 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[C@H]1F ZINC000662750645 413992135 /nfs/dbraw/zinc/99/21/35/413992135.db2.gz WDBNYAOXEVIRAT-XNDJQWLSSA-N 2 0 257.309 -0.880 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000662750263 413992516 /nfs/dbraw/zinc/99/25/16/413992516.db2.gz MEACBWYLFUJRIK-MJBXVCDLSA-N 2 0 297.399 -0.469 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662750965 413993101 /nfs/dbraw/zinc/99/31/01/413993101.db2.gz WPOFKBQZGXDMIX-AGIUHOORSA-N 2 0 287.404 -0.177 20 0 CBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662747993 413993810 /nfs/dbraw/zinc/99/38/10/413993810.db2.gz IOBFIRYGACXKQL-LLVKDONJSA-N 2 0 255.362 -0.489 20 0 CBADRP CC(C)[NH+](CCNC(=O)C(=O)NCC[NH3+])C(C)C ZINC000037243450 173059069 /nfs/dbraw/zinc/05/90/69/173059069.db2.gz ZPGVJLAFTXZEAJ-UHFFFAOYSA-N 2 0 258.366 -0.704 20 0 CBADRP CN(C(=O)C[NH3+])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899508 414061612 /nfs/dbraw/zinc/06/16/12/414061612.db2.gz DZHJQDNPHKQHPR-GFCCVEGCSA-N 2 0 254.378 -0.428 20 0 CBADRP CCN1CCN(C(=O)C(=O)NCCn2ccnc2C)CC1 ZINC000285777862 196395779 /nfs/dbraw/zinc/39/57/79/196395779.db2.gz FLLTYTDIMNFUKZ-UHFFFAOYSA-N 2 0 293.371 -0.528 20 0 CBADRP O=C(NCCC[NH+]1CCCCC1)[C@H]1C[NH2+]CCO1 ZINC000043707938 175100702 /nfs/dbraw/zinc/10/07/02/175100702.db2.gz SKNICUMIVKEZGR-GFCCVEGCSA-N 2 0 255.362 -0.033 20 0 CBADRP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000044514406 175189506 /nfs/dbraw/zinc/18/95/06/175189506.db2.gz FSUBUSXOTSKRDH-SECBINFHSA-N 2 0 256.350 -0.109 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000353160658 287313968 /nfs/dbraw/zinc/31/39/68/287313968.db2.gz DSZNCPNZNCXCMK-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CC[NH2+]CC1 ZINC000071215408 176086598 /nfs/dbraw/zinc/08/65/98/176086598.db2.gz QBFRFTSQPKWXHD-UHFFFAOYSA-N 2 0 264.333 -0.752 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418758247 298967963 /nfs/dbraw/zinc/96/79/63/298967963.db2.gz FISCHDBSMHYBCB-TUAOUCFPSA-N 2 0 270.377 -0.114 20 0 CBADRP C[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)[C@H]1C[NH3+] ZINC000419097557 287325538 /nfs/dbraw/zinc/32/55/38/287325538.db2.gz GANOCSQGQDGDAH-YPMHNXCESA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@H]1C[NH3+] ZINC000351540410 287329128 /nfs/dbraw/zinc/32/91/28/287329128.db2.gz VPZYUWDCAVIXJQ-UTUOFQBUSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H]1C[NH3+] ZINC000351540412 287329481 /nfs/dbraw/zinc/32/94/81/287329481.db2.gz VPZYUWDCAVIXJQ-WOPDTQHZSA-N 2 0 282.388 -0.560 20 0 CBADRP COCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000078802676 177390402 /nfs/dbraw/zinc/39/04/02/177390402.db2.gz ZWOMIVHJOCNWTG-UHFFFAOYSA-N 2 0 260.382 -0.232 20 0 CBADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NCCC[NH3+] ZINC000419830813 287389159 /nfs/dbraw/zinc/38/91/59/287389159.db2.gz GWRVDPUOIIDJAP-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000354694751 227073290 /nfs/dbraw/zinc/07/32/90/227073290.db2.gz QTPKLFYMSIERBI-DGCLKSJQSA-N 2 0 296.415 -0.156 20 0 CBADRP CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000356096814 228119238 /nfs/dbraw/zinc/11/92/38/228119238.db2.gz NYSHKZRZGBSJAC-GFCCVEGCSA-N 2 0 271.409 -0.565 20 0 CBADRP C[C@@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[NH+](C)C ZINC000078732394 544425829 /nfs/dbraw/zinc/42/58/29/544425829.db2.gz QGUCYDWJEQSQCS-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP CN(C)C(=O)CN1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000084170027 544430752 /nfs/dbraw/zinc/43/07/52/544430752.db2.gz LXJJKVLBAADALE-UHFFFAOYSA-N 2 0 270.377 -0.654 20 0 CBADRP CCC[NH+]1CCC(NC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000089700240 544436634 /nfs/dbraw/zinc/43/66/34/544436634.db2.gz DFKMENPGXJWZFD-UHFFFAOYSA-N 2 0 280.376 -0.159 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000089698324 544436729 /nfs/dbraw/zinc/43/67/29/544436729.db2.gz YZLVQTYWWXGCDS-JTQLQIEISA-N 2 0 266.349 -0.549 20 0 CBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000092955651 544441413 /nfs/dbraw/zinc/44/14/13/544441413.db2.gz GTEJOTJXJKMDJJ-OLZOCXBDSA-N 2 0 268.405 -0.262 20 0 CBADRP CC1(OCC(=O)NCCC[NH+]2CCCC2)C[NH2+]C1 ZINC000098061578 544446835 /nfs/dbraw/zinc/44/68/35/544446835.db2.gz BCWSDFBRECGRJJ-UHFFFAOYSA-N 2 0 255.362 -0.033 20 0 CBADRP C[NH+](C)C1CCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000098061797 544447012 /nfs/dbraw/zinc/44/70/12/544447012.db2.gz KCCPTDWVAGEJAL-UHFFFAOYSA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)COC2(C)C[NH2+]C2)CC[N@@H+]1C ZINC000098061766 544447144 /nfs/dbraw/zinc/44/71/44/544447144.db2.gz CIMVPKGJBVRQDZ-MNOVXSKESA-N 2 0 255.362 -0.036 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)CNC(=O)C[NH3+])CC[C@H]21 ZINC000227332876 544494353 /nfs/dbraw/zinc/49/43/53/544494353.db2.gz VKFILYGJCIHBHI-WDEREUQCSA-N 2 0 268.361 -0.996 20 0 CBADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCC[NH3+] ZINC000149908638 544465342 /nfs/dbraw/zinc/46/53/42/544465342.db2.gz QPKMHYMISDDWDS-CMPLNLGQSA-N 2 0 251.330 -0.006 20 0 CBADRP CNC(=O)CC[NH+](C)[C@H](C)CC[N@@H+](C)CCC(=O)NC ZINC000178301843 544481793 /nfs/dbraw/zinc/48/17/93/544481793.db2.gz DBMGAYOLYAQFOL-GFCCVEGCSA-N 2 0 286.420 -0.099 20 0 CBADRP CNS(=O)(=O)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000221089992 544490769 /nfs/dbraw/zinc/49/07/69/544490769.db2.gz MNKSURTUMAIYQR-JTQLQIEISA-N 2 0 263.407 -0.145 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000333575535 544545341 /nfs/dbraw/zinc/54/53/41/544545341.db2.gz SQVNQDVZFGNDQF-STQMWFEESA-N 2 0 282.388 -0.146 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000333575531 544545433 /nfs/dbraw/zinc/54/54/33/544545433.db2.gz SQVNQDVZFGNDQF-CHWSQXEVSA-N 2 0 282.388 -0.146 20 0 CBADRP CN(C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333729386 544545625 /nfs/dbraw/zinc/54/56/25/544545625.db2.gz HPXLAXPLSOJONC-IHRRRGAJSA-N 2 0 296.415 -0.023 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)[NH3+])CC1=O ZINC000249082707 544512529 /nfs/dbraw/zinc/51/25/29/544512529.db2.gz HRVOQRLKMSYCHA-YNEHKIRRSA-N 2 0 296.415 -0.217 20 0 CBADRP COCC1(CNC(=O)[C@H]2C[NH2+]CCO2)CC[NH2+]CC1 ZINC000261718819 544515981 /nfs/dbraw/zinc/51/59/81/544515981.db2.gz LHOZVLWLJXZLDN-LLVKDONJSA-N 2 0 271.361 -0.893 20 0 CBADRP C[C@@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000261846918 544516946 /nfs/dbraw/zinc/51/69/46/544516946.db2.gz QBOBMWCMLKTDOR-WOPDTQHZSA-N 2 0 282.388 -0.560 20 0 CBADRP CN(CCC[N@H+](C)C[C@H]1CNC(=O)C1)CC[NH+](C)C ZINC000660560137 419408738 /nfs/dbraw/zinc/40/87/38/419408738.db2.gz KBKPZIGCOHFWEA-CYBMUJFWSA-N 2 0 270.421 -0.062 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649594 419409557 /nfs/dbraw/zinc/40/95/57/419409557.db2.gz VNWMVLSLFONSHQ-LBPRGKRZSA-N 2 0 266.389 -0.508 20 0 CBADRP C[NH+](C)CC1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000037826143 419412811 /nfs/dbraw/zinc/41/28/11/419412811.db2.gz FSFRSDNXDYVCKT-UHFFFAOYSA-N 2 0 268.405 -0.308 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[NH+](CC2CC2)CC1 ZINC000037816851 419413809 /nfs/dbraw/zinc/41/38/09/419413809.db2.gz QJAPNIAHRRLEKW-UHFFFAOYSA-N 2 0 266.389 -0.554 20 0 CBADRP CC(C)[C@@H](CNC(=O)CC[NH3+])[NH+]1CCN(C)CC1 ZINC000040770528 419418222 /nfs/dbraw/zinc/41/82/22/419418222.db2.gz PNXHQNYESOLOPE-GFCCVEGCSA-N 2 0 256.394 -0.277 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000040636624 419418507 /nfs/dbraw/zinc/41/85/07/419418507.db2.gz STFSNQDUTCUMTK-QWHCGFSZSA-N 2 0 285.388 -0.456 20 0 CBADRP Cn1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000103211241 419479515 /nfs/dbraw/zinc/47/95/15/419479515.db2.gz WGJYLWCMCHGIEO-UHFFFAOYSA-N 2 0 267.377 -0.015 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107370398 419483910 /nfs/dbraw/zinc/48/39/10/419483910.db2.gz XHEPWOJSWKLJRB-STQMWFEESA-N 2 0 268.405 -0.038 20 0 CBADRP CN1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)CC1(C)C ZINC000110720527 419486145 /nfs/dbraw/zinc/48/61/45/419486145.db2.gz FUYJYWOWKXALGV-UHFFFAOYSA-N 2 0 268.405 -0.166 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000043799425 419428754 /nfs/dbraw/zinc/42/87/54/419428754.db2.gz XKUGLBNIZIRQMP-LBPRGKRZSA-N 2 0 271.361 -0.845 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2CC[NH2+]C2)n1 ZINC000625864174 419430784 /nfs/dbraw/zinc/43/07/84/419430784.db2.gz QWZSNUCQFDJRCU-SNVBAGLBSA-N 2 0 266.349 -0.072 20 0 CBADRP CC[NH+]1CCC(CNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000044526710 419431601 /nfs/dbraw/zinc/43/16/01/419431601.db2.gz XEGSBDZMMJVCNT-GFCCVEGCSA-N 2 0 255.362 -0.177 20 0 CBADRP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+](CCO)C[C@H]1C ZINC000660761448 419436206 /nfs/dbraw/zinc/43/62/06/419436206.db2.gz YVFVMAFWXJMDIM-KGLIPLIRSA-N 2 0 273.421 -0.314 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062973171 419457605 /nfs/dbraw/zinc/45/76/05/419457605.db2.gz RIGAMKIOPYMYTJ-CYBMUJFWSA-N 2 0 266.389 -0.412 20 0 CBADRP CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000068805667 419462331 /nfs/dbraw/zinc/46/23/31/419462331.db2.gz USHLHZMWACQYFN-VXGBXAGGSA-N 2 0 256.394 -0.421 20 0 CBADRP O=C(CCN1CC[C@@H]([NH+]2CCCC2)C1)N1CC[NH2+]CC1 ZINC000062980248 419464620 /nfs/dbraw/zinc/46/46/20/419464620.db2.gz XYIBZFGQKNOUDT-CQSZACIVSA-N 2 0 280.416 -0.022 20 0 CBADRP CCN(C)C[C@H](O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661138439 419469760 /nfs/dbraw/zinc/46/97/60/419469760.db2.gz BIQQGEGCAPZZAH-STQMWFEESA-N 2 0 267.377 -0.087 20 0 CBADRP COC[C@H](C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])OC ZINC000662271682 419567439 /nfs/dbraw/zinc/56/74/39/419567439.db2.gz IKQFALGCOHASSY-OLZOCXBDSA-N 2 0 287.404 -0.033 20 0 CBADRP C[C@@]1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CCC[NH2+]1 ZINC000394379093 544578453 /nfs/dbraw/zinc/57/84/53/544578453.db2.gz BPGQNAMHLFYXQZ-OCCSQVGLSA-N 2 0 266.389 -0.365 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000638088289 419525057 /nfs/dbraw/zinc/52/50/57/419525057.db2.gz FIKBNHZIKLRGSQ-JTQLQIEISA-N 2 0 253.350 0.381 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@]2(C[NH3+])CCCOC2)n1 ZINC000638088773 419527759 /nfs/dbraw/zinc/52/77/59/419527759.db2.gz KBJBASWENSNGJG-CQSZACIVSA-N 2 0 295.387 0.139 20 0 CBADRP C[C@@H](O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000192753985 419538119 /nfs/dbraw/zinc/53/81/19/419538119.db2.gz ZMFODVCWQZQGCW-LLVKDONJSA-N 2 0 257.378 -0.243 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000662152394 419551431 /nfs/dbraw/zinc/55/14/31/419551431.db2.gz UAMRMOADIQIKJB-GJZGRUSLSA-N 2 0 285.432 -0.170 20 0 CBADRP COC[C@H](C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)OC ZINC000662243679 419558322 /nfs/dbraw/zinc/55/83/22/419558322.db2.gz OJDJNDDMZFCDFT-NEPJUHHUSA-N 2 0 273.377 -0.565 20 0 CBADRP CCN1CC[C@@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000662244509 419558779 /nfs/dbraw/zinc/55/87/79/419558779.db2.gz RAFGYSHIIASIGT-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP CN1CCC[C@@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000662245201 419559960 /nfs/dbraw/zinc/55/99/60/419559960.db2.gz RZZIMJLYIOXLTG-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662248231 419562829 /nfs/dbraw/zinc/56/28/29/419562829.db2.gz WPESHRYVEGPZBO-SDDRHHMPSA-N 2 0 255.362 -0.445 20 0 CBADRP CN1CCC[C@H]([N@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000662247226 419563228 /nfs/dbraw/zinc/56/32/28/419563228.db2.gz VUFNIQURXYBABA-LBPRGKRZSA-N 2 0 254.378 -0.556 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)CN1CC[NH2+]CC1 ZINC000220109761 419564404 /nfs/dbraw/zinc/56/44/04/419564404.db2.gz CRQGWOHSKOOLPG-GFCCVEGCSA-N 2 0 256.394 -0.262 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000644113989 419564686 /nfs/dbraw/zinc/56/46/86/419564686.db2.gz YTYNNBUQTCCDAE-GXSJLCMTSA-N 2 0 263.345 0.354 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)CN1CC[NH2+]CC1 ZINC000220032376 419564811 /nfs/dbraw/zinc/56/48/11/419564811.db2.gz FHGJXUWBEDFDDF-UHFFFAOYSA-N 2 0 256.394 -0.260 20 0 CBADRP C[C@@H](CNC(=O)COC1(C)C[NH2+]C1)[N@H+](C)C1CC1 ZINC000219044011 419564843 /nfs/dbraw/zinc/56/48/43/419564843.db2.gz FUZNFTVXTGQYNJ-JTQLQIEISA-N 2 0 255.362 -0.036 20 0 CBADRP CCOCC[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662261212 419565256 /nfs/dbraw/zinc/56/52/56/419565256.db2.gz UWWIKJRFQHPPJE-ZDUSSCGKSA-N 2 0 257.378 -0.371 20 0 CBADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394370598 544579033 /nfs/dbraw/zinc/57/90/33/544579033.db2.gz CLXALWMEFATYLM-NWDGAFQWSA-N 2 0 268.405 -0.134 20 0 CBADRP Nc1nc(-n2cccn2)cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[nH+]1 ZINC000634810262 419510540 /nfs/dbraw/zinc/51/05/40/419510540.db2.gz REMMCYGJSNCVHX-VROVMSAKSA-N 2 0 257.301 -0.126 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000662536906 419632873 /nfs/dbraw/zinc/63/28/73/419632873.db2.gz SZMRUYWTQRNJGX-NWDGAFQWSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)ccn1 ZINC000394378451 544579833 /nfs/dbraw/zinc/57/98/33/544579833.db2.gz INMOTWYWVVWTHW-CQSZACIVSA-N 2 0 289.383 -0.340 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@@H]1C[NH2+]CCO1 ZINC000662272211 419569706 /nfs/dbraw/zinc/56/97/06/419569706.db2.gz MDEAPXBSDGFWBV-STQMWFEESA-N 2 0 284.404 -0.706 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NC[C@H](C)C[NH2+]C)CC1 ZINC000236844466 419571064 /nfs/dbraw/zinc/57/10/64/419571064.db2.gz FGMVGNXHJIFPLL-CYBMUJFWSA-N 2 0 270.421 -0.014 20 0 CBADRP CCC[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000236820972 419571169 /nfs/dbraw/zinc/57/11/69/419571169.db2.gz KJZOXAWUTFKZMR-STQMWFEESA-N 2 0 296.415 -0.121 20 0 CBADRP C[N@H+](CCN1CCOCC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662277126 419571031 /nfs/dbraw/zinc/57/10/31/419571031.db2.gz OBBBTYSSXIENJI-ZDUSSCGKSA-N 2 0 269.389 -0.229 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC[C@H](C)C[NH2+]C)CC1 ZINC000236843819 419571241 /nfs/dbraw/zinc/57/12/41/419571241.db2.gz FESXRMZDPCGGDG-GFCCVEGCSA-N 2 0 256.394 -0.404 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394381693 544580369 /nfs/dbraw/zinc/58/03/69/544580369.db2.gz OCRCYRHFFDBRIT-FRRDWIJNSA-N 2 0 266.389 -0.380 20 0 CBADRP NS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662277826 419571882 /nfs/dbraw/zinc/57/18/82/419571882.db2.gz UMWCFVGHIQNVMM-WDEREUQCSA-N 2 0 289.401 -0.740 20 0 CBADRP [NH3+]CCN(Cc1cccc2c1CC[NH2+]C2)C[C@H](O)CO ZINC000662285422 419572246 /nfs/dbraw/zinc/57/22/46/419572246.db2.gz APZOSLZLCVUQBY-AWEZNQCLSA-N 2 0 279.384 -0.554 20 0 CBADRP CC[C@H]([NH3+])C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000236910210 419573129 /nfs/dbraw/zinc/57/31/29/419573129.db2.gz KUBPXRXSBWEEDC-RYUDHWBXSA-N 2 0 257.378 -0.067 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@](C)(C[NH3+])C2CC2)CC1 ZINC000236873106 419573578 /nfs/dbraw/zinc/57/35/78/419573578.db2.gz OMMIXMYOJBATJZ-CQSZACIVSA-N 2 0 268.405 -0.133 20 0 CBADRP O[C@@H]1C[C@H]2CN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC[N@@H+]2C1 ZINC000662285016 419574148 /nfs/dbraw/zinc/57/41/48/419574148.db2.gz UKANGNVMQXWQQQ-XQQFMLRXSA-N 2 0 267.373 -0.742 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CCCC[NH2+]1 ZINC000394383771 544580692 /nfs/dbraw/zinc/58/06/92/544580692.db2.gz FURZUBSGPUZNSJ-OLZOCXBDSA-N 2 0 266.389 -0.365 20 0 CBADRP CN1CCC[C@@H]([N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000662281933 419575698 /nfs/dbraw/zinc/57/56/98/419575698.db2.gz MOVXVMRYNXSVQY-QWHCGFSZSA-N 2 0 292.387 -0.006 20 0 CBADRP COCC[N@H+](C)CCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237256655 419575654 /nfs/dbraw/zinc/57/56/54/419575654.db2.gz KJKKLPLXARECAO-LBPRGKRZSA-N 2 0 273.377 -0.551 20 0 CBADRP CN1CCC[C@H]([N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1=O ZINC000662277523 419575894 /nfs/dbraw/zinc/57/58/94/419575894.db2.gz VODMYMPWKOBIHS-OLZOCXBDSA-N 2 0 266.389 -0.413 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CNC1(CO)CC[NH2+]CC1 ZINC000662287242 419577769 /nfs/dbraw/zinc/57/77/69/419577769.db2.gz WJVVNJHKBLCRLF-GJZGRUSLSA-N 2 0 293.411 -0.379 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CC[NH3+] ZINC000237017691 419577956 /nfs/dbraw/zinc/57/79/56/419577956.db2.gz PWALROUMSREKRN-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000647727148 419639347 /nfs/dbraw/zinc/63/93/47/419639347.db2.gz MZDDLUZEUPGWRQ-NSHDSACASA-N 2 0 282.388 -0.429 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000662317748 419584664 /nfs/dbraw/zinc/58/46/64/419584664.db2.gz RPCPONRKGOQLBL-TZMCWYRMSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000237585934 419584938 /nfs/dbraw/zinc/58/49/38/419584938.db2.gz PHYIFCJUUJTXFT-JSGCOSHPSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394390378 544581985 /nfs/dbraw/zinc/58/19/85/544581985.db2.gz XMXYEBVEQVLIPX-RWMBFGLXSA-N 2 0 266.389 -0.510 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C[NH2+]C2CC2)C1 ZINC000237929279 419586454 /nfs/dbraw/zinc/58/64/54/419586454.db2.gz WZDOTUXYYGMGBG-NSHDSACASA-N 2 0 282.388 -0.558 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@H]1CC12CC[NH2+]CC2 ZINC000394382415 544582168 /nfs/dbraw/zinc/58/21/68/544582168.db2.gz WFVXCQPNVSUYDC-ZIAGYGMSSA-N 2 0 292.427 -0.118 20 0 CBADRP CC(C)([NH3+])c1cc(C(=O)NCCCN2CC[NH2+]CC2)on1 ZINC000662391485 419591512 /nfs/dbraw/zinc/59/15/12/419591512.db2.gz ZGJKIYGYBOONPI-UHFFFAOYSA-N 2 0 295.387 -0.107 20 0 CBADRP Nc1cc[nH+]cc1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394706409 544582868 /nfs/dbraw/zinc/58/28/68/544582868.db2.gz SXPVWJAGWFMHRK-NSHDSACASA-N 2 0 275.356 -0.386 20 0 CBADRP CC1(C)CC[NH2+][C@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000662389816 419592610 /nfs/dbraw/zinc/59/26/10/419592610.db2.gz FINXGTIBKABATL-LBPRGKRZSA-N 2 0 268.405 -0.214 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000647492573 419592871 /nfs/dbraw/zinc/59/28/71/419592871.db2.gz KWYZYPVROFELPX-CQSZACIVSA-N 3 0 297.447 -0.979 20 0 CBADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662386536 419593274 /nfs/dbraw/zinc/59/32/74/419593274.db2.gz BVRWBWFAELDZDX-NSHDSACASA-N 2 0 280.376 -0.159 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000662400826 419594789 /nfs/dbraw/zinc/59/47/89/419594789.db2.gz FLLKKEGEAQFACA-AVGNSLFASA-N 2 0 294.399 -0.606 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662401707 419595369 /nfs/dbraw/zinc/59/53/69/419595369.db2.gz QMEQXKXAGRAJBG-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662400312 419595665 /nfs/dbraw/zinc/59/56/65/419595665.db2.gz RFSVNYUJRUSOFU-LLVKDONJSA-N 2 0 294.321 -0.450 20 0 CBADRP C[NH+](C)C[C@@H](O)CNC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647516302 419595955 /nfs/dbraw/zinc/59/59/55/419595955.db2.gz DPVJWCMTDQXVIF-HOTGVXAUSA-N 2 0 295.427 -0.009 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000250370869 419596604 /nfs/dbraw/zinc/59/66/04/419596604.db2.gz IPQWFXDSZWYVLU-CHWSQXEVSA-N 2 0 268.405 -0.119 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662401394 419596974 /nfs/dbraw/zinc/59/69/74/419596974.db2.gz TZGIDPVPAPRWAZ-GFCCVEGCSA-N 2 0 282.388 -0.735 20 0 CBADRP C[NH+](C)C[C@H](O)CNC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647516299 419598226 /nfs/dbraw/zinc/59/82/26/419598226.db2.gz DPVJWCMTDQXVIF-CVEARBPZSA-N 2 0 295.427 -0.009 20 0 CBADRP C[NH+](C)C[C@H](O)CNC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647516303 419598410 /nfs/dbraw/zinc/59/84/10/419598410.db2.gz DPVJWCMTDQXVIF-HZPDHXFCSA-N 2 0 295.427 -0.009 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662412564 419599629 /nfs/dbraw/zinc/59/96/29/419599629.db2.gz OQEKMOPKWVRTMF-NEPJUHHUSA-N 2 0 254.378 -0.523 20 0 CBADRP O=C(NCC[NH2+]C1CC1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662412274 419600418 /nfs/dbraw/zinc/60/04/18/419600418.db2.gz ORNQKRTTWLUDOH-VIFPVBQESA-N 2 0 263.345 -0.032 20 0 CBADRP CC[C@H](C)C[C@H](CO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000647524902 419601070 /nfs/dbraw/zinc/60/10/70/419601070.db2.gz KONUBGQERCQAKD-ZNMIVQPWSA-N 2 0 287.448 -0.019 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)c1cn(CC[NH3+])nn1 ZINC000662425420 419603391 /nfs/dbraw/zinc/60/33/91/419603391.db2.gz AYANSIQTHSCCSF-UHFFFAOYSA-N 2 0 254.338 -0.516 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2[NH2+]CCC2(C)C)CCO1 ZINC000662433222 419604728 /nfs/dbraw/zinc/60/47/28/419604728.db2.gz YKIVUDNWJABYTJ-GARJFASQSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2[NH2+]CCC2(C)C)CCO1 ZINC000662433223 419605612 /nfs/dbraw/zinc/60/56/12/419605612.db2.gz YKIVUDNWJABYTJ-HBNTYKKESA-N 2 0 255.362 -0.051 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000662430973 419606311 /nfs/dbraw/zinc/60/63/11/419606311.db2.gz FWIAOBDIENOVCW-OUAUKWLOSA-N 2 0 259.350 -0.687 20 0 CBADRP C[NH+](C)C[C@@H](CO)NC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647535939 419606492 /nfs/dbraw/zinc/60/64/92/419606492.db2.gz KBSZLXLWQGDRTC-HOTGVXAUSA-N 2 0 295.427 -0.009 20 0 CBADRP CC(C)[NH2+]CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000662437397 419606808 /nfs/dbraw/zinc/60/68/08/419606808.db2.gz DISSWVRSGZJZAV-GFCCVEGCSA-N 2 0 284.404 -0.312 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](CN2CC[NH2+]C[C@@H]2C(F)F)C1 ZINC000647541869 419608065 /nfs/dbraw/zinc/60/80/65/419608065.db2.gz ZNVIYZMXYUGNRP-GHMZBOCLSA-N 2 0 290.358 -0.277 20 0 CBADRP C(CN1CC[NH2+]CC1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647547045 419608286 /nfs/dbraw/zinc/60/82/86/419608286.db2.gz LXSKWNUVCPFIKK-HZSPNIEDSA-N 3 0 252.406 -0.131 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000662449906 419610902 /nfs/dbraw/zinc/61/09/02/419610902.db2.gz YLNXFOLHXCEMJM-OLZOCXBDSA-N 2 0 286.420 -0.509 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000662453643 419611527 /nfs/dbraw/zinc/61/15/27/419611527.db2.gz DAHQVAPMMDYEQV-LLVKDONJSA-N 2 0 280.376 -0.159 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000662461832 419613499 /nfs/dbraw/zinc/61/34/99/419613499.db2.gz FFYTUKIIMXIUNO-NSHDSACASA-N 2 0 280.376 -0.159 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000662463769 419613986 /nfs/dbraw/zinc/61/39/86/419613986.db2.gz HKVSYNIYDROWCJ-STQMWFEESA-N 2 0 286.420 -0.509 20 0 CBADRP COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000401791254 544585606 /nfs/dbraw/zinc/58/56/06/544585606.db2.gz HDLFYFMHVKCOCM-KBPBESRZSA-N 2 0 290.404 -0.601 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000311081374 419620165 /nfs/dbraw/zinc/62/01/65/419620165.db2.gz WTVUJEPCHIKXAI-XQQFMLRXSA-N 2 0 257.378 -0.923 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000647597726 419620854 /nfs/dbraw/zinc/62/08/54/419620854.db2.gz KBNWLWRHXLNOFD-AXFHLTTASA-N 2 0 270.377 -0.561 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000311854132 419625417 /nfs/dbraw/zinc/62/54/17/419625417.db2.gz JBCIFLGMQARQBG-CYBMUJFWSA-N 2 0 273.377 -0.693 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000662525551 419628579 /nfs/dbraw/zinc/62/85/79/419628579.db2.gz IDDVRQPJNMEGSY-GFCCVEGCSA-N 2 0 257.378 -0.053 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000662517748 419628704 /nfs/dbraw/zinc/62/87/04/419628704.db2.gz XTGSYQXFPILXDG-STQMWFEESA-N 2 0 284.404 -0.755 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000662516792 419629302 /nfs/dbraw/zinc/62/93/02/419629302.db2.gz GNXSCPXTEYSUKP-NWDGAFQWSA-N 2 0 254.378 -0.510 20 0 CBADRP O=C([C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000647824833 419660927 /nfs/dbraw/zinc/66/09/27/419660927.db2.gz YYHCZJUOFSVXLE-ZIAGYGMSSA-N 3 0 280.416 -0.260 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000331582731 419661577 /nfs/dbraw/zinc/66/15/77/419661577.db2.gz IFJGCTSEFJBXDZ-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000662640603 419662878 /nfs/dbraw/zinc/66/28/78/419662878.db2.gz TUZYRNGAJNIIKY-ICUOPCATSA-N 2 0 267.373 -0.003 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647828431 419664551 /nfs/dbraw/zinc/66/45/51/419664551.db2.gz CZDSGDZPPPCJTF-RYUDHWBXSA-N 3 0 254.378 -0.617 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000662765418 419714247 /nfs/dbraw/zinc/71/42/47/419714247.db2.gz GBDXSBYBHTYCEM-YYHQMBLXSA-N 2 0 267.373 -0.064 20 0 CBADRP C[NH2+]C[C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000647836721 419670806 /nfs/dbraw/zinc/67/08/06/419670806.db2.gz APQQYNNTDAJDHZ-GFCCVEGCSA-N 3 0 254.378 -0.650 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000662659576 419672386 /nfs/dbraw/zinc/67/23/86/419672386.db2.gz NOFLDZOHLYHSFK-NSHDSACASA-N 2 0 272.393 -0.408 20 0 CBADRP O=C(N1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@]1(O)CCC[NH2+]C1 ZINC000662771554 419714519 /nfs/dbraw/zinc/71/45/19/419714519.db2.gz HHBJIDVRHZSEEL-LOWVWBTDSA-N 2 0 253.346 -0.689 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000662659373 419672601 /nfs/dbraw/zinc/67/26/01/419672601.db2.gz KSLABPJQTCURFB-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)C1(O)C[NH2+]C1)c1cccc(F)c1 ZINC000662663697 419672998 /nfs/dbraw/zinc/67/29/98/419672998.db2.gz PKBPBTZNBSMVMS-GFCCVEGCSA-N 2 0 281.331 -0.121 20 0 CBADRP CC[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@@H+]1C[C@@H](C)O ZINC000333850481 419673339 /nfs/dbraw/zinc/67/33/39/419673339.db2.gz PZCMQSRJJSAYKU-POQQGIQPSA-N 2 0 296.415 -0.309 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662663376 419674387 /nfs/dbraw/zinc/67/43/87/419674387.db2.gz DWJGFSCREVMCDQ-NWDGAFQWSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1(O)C[NH2+]C1 ZINC000662663022 419674455 /nfs/dbraw/zinc/67/44/55/419674455.db2.gz BYQJCJJHOAXUTA-CYBMUJFWSA-N 2 0 275.352 -0.289 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662662100 419674678 /nfs/dbraw/zinc/67/46/78/419674678.db2.gz ZHTRIPDFOQEYJL-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000662659357 419675213 /nfs/dbraw/zinc/67/52/13/419675213.db2.gz KKMNZYHHMISLFE-DOMZBBRYSA-N 2 0 296.415 -0.536 20 0 CBADRP O=C(NCCC[NH+]1CCCCCC1)C1(O)C[NH2+]C1 ZINC000662664653 419675703 /nfs/dbraw/zinc/67/57/03/419675703.db2.gz YQDUJJHEPCEJTJ-UHFFFAOYSA-N 2 0 255.362 -0.297 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])C[C@@H](C)O1 ZINC000662672417 419677213 /nfs/dbraw/zinc/67/72/13/419677213.db2.gz ZEBCOJREEPVWDV-SYQHCUMBSA-N 2 0 299.415 -0.034 20 0 CBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662679599 419678012 /nfs/dbraw/zinc/67/80/12/419678012.db2.gz ARFAGALUCCBCFJ-VXGBXAGGSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C1(O)C[NH2+]C1 ZINC000662669096 419678657 /nfs/dbraw/zinc/67/86/57/419678657.db2.gz VEPPMDUYRJNAIG-NSHDSACASA-N 2 0 255.362 -0.299 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)C1(O)C[NH2+]C1)c1ccsc1 ZINC000662678338 419679558 /nfs/dbraw/zinc/67/95/58/419679558.db2.gz FLLSSZZFWBLPGU-JTQLQIEISA-N 2 0 269.370 -0.199 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)C1(O)C[NH2+]C1)c1ccc(F)cc1 ZINC000662680787 419681784 /nfs/dbraw/zinc/68/17/84/419681784.db2.gz YOOQFOWBWABZLE-GFCCVEGCSA-N 2 0 281.331 -0.121 20 0 CBADRP C[C@@H](CNC(=O)C1(O)C[NH2+]C1)[N@@H+]1CCCC[C@H]1C ZINC000662680379 419682032 /nfs/dbraw/zinc/68/20/32/419682032.db2.gz SURSVNILMKHMGU-MNOVXSKESA-N 2 0 255.362 -0.300 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cn(CC[NH3+])nn1 ZINC000662684038 419683006 /nfs/dbraw/zinc/68/30/06/419683006.db2.gz ADENABXOZXXJEN-NSHDSACASA-N 2 0 280.376 -0.349 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC000647878394 419683562 /nfs/dbraw/zinc/68/35/62/419683562.db2.gz BRCSQBPYAAWBHZ-DDHJBXDOSA-N 2 0 255.362 -0.099 20 0 CBADRP CCN1C(=O)[C@H]2CN(CCC[NH2+]C)CCN2C1=O ZINC000647891524 419687801 /nfs/dbraw/zinc/68/78/01/419687801.db2.gz LXCRIPMOAPMNRF-SNVBAGLBSA-N 2 0 254.334 -0.436 20 0 CBADRP CS(=O)(=O)NCCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904130 419689075 /nfs/dbraw/zinc/68/90/75/419689075.db2.gz XKRWBJRHMRYNKH-NWDGAFQWSA-N 2 0 275.418 0.000 20 0 CBADRP C[C@@H]1[NH2+]CCN(CCC(=O)N2CC[NH2+]CC2)[C@H]1C ZINC000647941227 419693354 /nfs/dbraw/zinc/69/33/54/419693354.db2.gz MHNUHRKPFVVSHQ-RYUDHWBXSA-N 2 0 254.378 -0.510 20 0 CBADRP CC[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)[NH+](C)C ZINC000338970812 419694744 /nfs/dbraw/zinc/69/47/44/419694744.db2.gz YOGNIQOAVAEKLO-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000662718288 419696690 /nfs/dbraw/zinc/69/66/90/419696690.db2.gz XMPOSEXBFRYXOW-IQLKVPPVSA-N 2 0 290.371 -0.316 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662713220 419696708 /nfs/dbraw/zinc/69/67/08/419696708.db2.gz VVDTYPJZYHTWPB-JHJVBQTASA-N 2 0 296.415 -0.217 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC12CC(C1)C[NH2+]2 ZINC000662718604 419697628 /nfs/dbraw/zinc/69/76/28/419697628.db2.gz MPZLQCOUAKVLHL-CVZZAPKMSA-N 2 0 280.372 -0.887 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCO[C@@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000662711850 419697860 /nfs/dbraw/zinc/69/78/60/419697860.db2.gz FEXZBKNTZVKHLN-ADEWGFFLSA-N 2 0 255.362 -0.051 20 0 CBADRP O=C(CCN1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[NH2+]CC1 ZINC000647987651 419703479 /nfs/dbraw/zinc/70/34/79/419703479.db2.gz NUICXOQVMMYUQF-QWHCGFSZSA-N 2 0 266.389 -0.508 20 0 CBADRP O=C(CCN1CC[C@H]2CC[NH2+][C@H]2C1)N1CC[NH2+]CC1 ZINC000647987650 419704485 /nfs/dbraw/zinc/70/44/85/419704485.db2.gz NUICXOQVMMYUQF-OLZOCXBDSA-N 2 0 266.389 -0.508 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000662734545 419706917 /nfs/dbraw/zinc/70/69/17/419706917.db2.gz RBAQGJRMAPZERX-IHRRRGAJSA-N 2 0 296.415 -0.754 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@H]2C[C@H]([NH3+])C2)CCOCC1 ZINC000662729749 419707664 /nfs/dbraw/zinc/70/76/64/419707664.db2.gz VVHJRKTUAILPKE-XYPYZODXSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1O ZINC000647994564 419708566 /nfs/dbraw/zinc/70/85/66/419708566.db2.gz QEYODDOSRMKHIG-XBFCOCLRSA-N 2 0 296.415 -0.213 20 0 CBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662754470 419709365 /nfs/dbraw/zinc/70/93/65/419709365.db2.gz ORARCZICMGZCMT-HQJQHLMTSA-N 2 0 267.333 -0.370 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662763516 419709434 /nfs/dbraw/zinc/70/94/34/419709434.db2.gz DPDVBLAAGQRTFC-JTQLQIEISA-N 2 0 283.294 -0.119 20 0 CBADRP O=C(N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C1(O)C[NH2+]C1 ZINC000662762493 419709769 /nfs/dbraw/zinc/70/97/69/419709769.db2.gz WKAYLVDDVUPCPV-GHMZBOCLSA-N 2 0 253.346 -0.689 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)NC2CC[NH+](C)CC2)C[C@@H]1O ZINC000647993811 419710063 /nfs/dbraw/zinc/71/00/63/419710063.db2.gz QJXFCBGJWVBYPU-RYUDHWBXSA-N 2 0 270.377 -0.603 20 0 CBADRP [NH3+][C@H]1CCc2ncc(NC(=O)C3(O)C[NH2+]C3)cc2C1 ZINC000662763804 419710572 /nfs/dbraw/zinc/71/05/72/419710572.db2.gz JKMHDMKKWPDGDU-VIFPVBQESA-N 2 0 262.313 -0.830 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662754548 419711028 /nfs/dbraw/zinc/71/10/28/419711028.db2.gz QIOLKOVPQCRMIF-HAQNSBGRSA-N 2 0 254.378 -0.523 20 0 CBADRP O=C(NCC1C[NH2+]C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662763384 419711868 /nfs/dbraw/zinc/71/18/68/419711868.db2.gz ZFRMZLCOVVAUJP-VIFPVBQESA-N 2 0 251.252 -0.136 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662757339 419711887 /nfs/dbraw/zinc/71/18/87/419711887.db2.gz LKKUGBCDXNHSCF-JOCQHMNTSA-N 2 0 268.405 -0.133 20 0 CBADRP C[C@]1(CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CCC[NH2+]C1 ZINC000662765384 419713081 /nfs/dbraw/zinc/71/30/81/419713081.db2.gz SIDFGHBDSCAHEC-WZRBSPASSA-N 2 0 255.362 -0.144 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662573649 419644598 /nfs/dbraw/zinc/64/45/98/419644598.db2.gz JFDLFUHHAQRIFF-LLVKDONJSA-N 2 0 294.355 -0.140 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662567023 419645044 /nfs/dbraw/zinc/64/50/44/419645044.db2.gz SHZBCCHSTGGQDZ-RKDXNWHRSA-N 2 0 251.334 -0.046 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@@H]([NH3+])COC(C)C)CC1 ZINC000662581942 419646401 /nfs/dbraw/zinc/64/64/01/419646401.db2.gz YMFJYMRTQOXZRF-ZDUSSCGKSA-N 2 0 287.404 -0.034 20 0 CBADRP COCC1(C(=O)N(C)CCN2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000647777134 419654384 /nfs/dbraw/zinc/65/43/84/419654384.db2.gz AXCOJKOSFQCLQG-UHFFFAOYSA-N 2 0 298.431 -0.634 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)COC1CC[NH2+]CC1 ZINC000647779187 419654568 /nfs/dbraw/zinc/65/45/68/419654568.db2.gz VATUNSQLZKLPDX-UHFFFAOYSA-N 2 0 284.404 -0.881 20 0 CBADRP C[NH2+]CC1CCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000647780307 419655119 /nfs/dbraw/zinc/65/51/19/419655119.db2.gz YAMACZRFEKBLIT-UHFFFAOYSA-N 2 0 255.362 -0.177 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]([NH3+])C1CCC1 ZINC000647779044 419655183 /nfs/dbraw/zinc/65/51/83/419655183.db2.gz NIWKPYXQPNEIOG-GFCCVEGCSA-N 2 0 254.378 -0.523 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000647777733 419655410 /nfs/dbraw/zinc/65/54/10/419655410.db2.gz ZMJIFHMHAXEUGG-ZDUSSCGKSA-N 2 0 268.405 -0.260 20 0 CBADRP C[C@H]1CC[NH2+][C@H](C(=O)N(C)CCN2CC[NH2+]CC2)C1 ZINC000647779192 419655785 /nfs/dbraw/zinc/65/57/85/419655785.db2.gz VDTLFRTZJNHEOQ-STQMWFEESA-N 2 0 268.405 -0.262 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]([NH3+])CC(F)F ZINC000647777284 419655895 /nfs/dbraw/zinc/65/58/95/419655895.db2.gz IPNAUOADGNLEIN-SECBINFHSA-N 2 0 264.320 -0.668 20 0 CBADRP C[C@H]1CC[NH2+][C@@H](C(=O)N(C)CCN2CC[NH2+]CC2)C1 ZINC000647779191 419655949 /nfs/dbraw/zinc/65/59/49/419655949.db2.gz VDTLFRTZJNHEOQ-QWHCGFSZSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@H](CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2)[NH+](C)C ZINC000662633494 419657407 /nfs/dbraw/zinc/65/74/07/419657407.db2.gz LIUFYGLHYULYJB-MDZLAQPJSA-N 2 0 255.362 -0.321 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000662634420 419657820 /nfs/dbraw/zinc/65/78/20/419657820.db2.gz RTTJMITUCXNFAN-CQSZACIVSA-N 2 0 270.421 -0.014 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000662629934 419659224 /nfs/dbraw/zinc/65/92/24/419659224.db2.gz BJMQZRPTXJTJCL-UKRRQHHQSA-N 2 0 282.432 -0.014 20 0 CBADRP C[C@H](CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000662633276 419660003 /nfs/dbraw/zinc/66/00/03/419660003.db2.gz JTEGNNJDTMQUAX-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP [NH3+]CC1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000647812227 419660422 /nfs/dbraw/zinc/66/04/22/419660422.db2.gz SHHZGARTZQSQBO-UHFFFAOYSA-N 3 0 254.378 -0.521 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)C2([NH3+])CC3(CCC3)C2)CCO1 ZINC000662766220 419713991 /nfs/dbraw/zinc/71/39/91/419713991.db2.gz HEGQOZULNUQDLK-JTQLQIEISA-N 2 0 253.346 -0.166 20 0 CBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000662790255 419725384 /nfs/dbraw/zinc/72/53/84/419725384.db2.gz BGDZIECVIFIGJP-VXGBXAGGSA-N 2 0 253.346 -0.343 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])COC(C)C ZINC000662790069 419727695 /nfs/dbraw/zinc/72/76/95/419727695.db2.gz IDRUCBPNHLRYPK-LBPRGKRZSA-N 2 0 275.393 -0.225 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662800933 419729300 /nfs/dbraw/zinc/72/93/00/419729300.db2.gz HEXJHKJBXYDZFB-NEPJUHHUSA-N 2 0 255.362 -0.097 20 0 CBADRP CC1(OCC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C[NH2+]C1 ZINC000648109119 419731667 /nfs/dbraw/zinc/73/16/67/419731667.db2.gz ZFHKNKLXNQQLSJ-SDDRHHMPSA-N 2 0 267.373 -0.049 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)C1([NH2+]C2CC2)CCC1 ZINC000662812394 419733603 /nfs/dbraw/zinc/73/36/03/419733603.db2.gz BARAIDWLEYXFRL-LLVKDONJSA-N 2 0 253.346 -0.234 20 0 CBADRP CC(C)([NH3+])c1cc(C(=O)NC[C@H]2C[NH2+]CCO2)on1 ZINC000662816688 419737671 /nfs/dbraw/zinc/73/76/71/419737671.db2.gz YJYFOEDRUBRLSI-MRVPVSSYSA-N 2 0 268.317 -0.413 20 0 CBADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662813268 419738030 /nfs/dbraw/zinc/73/80/30/419738030.db2.gz ISPHLKQAUIUCJY-NEPJUHHUSA-N 2 0 283.372 -0.934 20 0 CBADRP CC1(OCC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C[NH2+]C1 ZINC000648124142 419738203 /nfs/dbraw/zinc/73/82/03/419738203.db2.gz RUSAGDMMXGYBOW-MNOVXSKESA-N 2 0 253.346 -0.425 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000662939271 419786355 /nfs/dbraw/zinc/78/63/55/419786355.db2.gz NJXDQZUWPKDKOV-QWHCGFSZSA-N 2 0 296.415 -0.264 20 0 CBADRP CC1(OCC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C[NH2+]C1 ZINC000648124143 419738860 /nfs/dbraw/zinc/73/88/60/419738860.db2.gz RUSAGDMMXGYBOW-QWRGUYRKSA-N 2 0 253.346 -0.425 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C[C@H]1C[NH3+] ZINC000662830852 419739788 /nfs/dbraw/zinc/73/97/88/419739788.db2.gz WTHJWUAOZYYJIE-DDHJBXDOSA-N 2 0 271.361 -0.828 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648128040 419741301 /nfs/dbraw/zinc/74/13/01/419741301.db2.gz BEOFCMJVAVNMDU-NMKXLXIOSA-N 2 0 294.399 -0.702 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CC3CCC2(C[NH3+])CC3)nn1 ZINC000662826153 419741424 /nfs/dbraw/zinc/74/14/24/419741424.db2.gz UWTAHEKIQUJXPG-UHFFFAOYSA-N 2 0 278.360 -0.420 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000648128047 419742864 /nfs/dbraw/zinc/74/28/64/419742864.db2.gz BSOMWFXFQVVGRF-NWDGAFQWSA-N 2 0 282.388 -0.416 20 0 CBADRP O=C(N1CCC([C@@H]2CCC[NH2+]C2)CC1)C1(O)C[NH2+]C1 ZINC000662838810 419743904 /nfs/dbraw/zinc/74/39/04/419743904.db2.gz KBQMVGAUMBGQFO-GFCCVEGCSA-N 2 0 267.373 -0.441 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000648132205 419744397 /nfs/dbraw/zinc/74/43/97/419744397.db2.gz SGZUPXOYLJOMDN-NHCYSSNCSA-N 2 0 288.367 -0.756 20 0 CBADRP [NH3+]CCOCC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662833623 419745641 /nfs/dbraw/zinc/74/56/41/419745641.db2.gz SWZIBVUIEUWRDX-ZDUSSCGKSA-N 2 0 285.388 -0.325 20 0 CBADRP O=C(N1CC[C@H]2OCC[NH2+][C@@H]2C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000648135569 419749877 /nfs/dbraw/zinc/74/98/77/419749877.db2.gz WVWPTLMAOHUXIY-RGCMKSIDSA-N 2 0 279.384 -0.035 20 0 CBADRP CC1(OCC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C[NH2+]C1 ZINC000648141391 419752222 /nfs/dbraw/zinc/75/22/22/419752222.db2.gz GRSZKWSBKGVWGD-QWRGUYRKSA-N 2 0 253.346 -0.425 20 0 CBADRP CNC(=O)C[NH+](C)CCCCC[N@@H+](C)CC(=O)NC ZINC000434673177 544592487 /nfs/dbraw/zinc/59/24/87/544592487.db2.gz CCCKWBVRNPZSAB-UHFFFAOYSA-N 2 0 272.393 -0.488 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000648148181 419759280 /nfs/dbraw/zinc/75/92/80/419759280.db2.gz PBBPHZBMDQSLSE-ZFWWWQNUSA-N 2 0 276.384 -0.120 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000662876051 419759967 /nfs/dbraw/zinc/75/99/67/419759967.db2.gz PAVFYGHLECXIPW-CVZZAPKMSA-N 2 0 280.372 -0.724 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000648162501 419761833 /nfs/dbraw/zinc/76/18/33/419761833.db2.gz PSAKNYJHKKTOBP-VXGBXAGGSA-N 2 0 253.346 -0.282 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000648162500 419762432 /nfs/dbraw/zinc/76/24/32/419762432.db2.gz PSAKNYJHKKTOBP-RYUDHWBXSA-N 2 0 253.346 -0.282 20 0 CBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)COC3(C)C[NH2+]C3)[C@H]2C1 ZINC000648168925 419763747 /nfs/dbraw/zinc/76/37/47/419763747.db2.gz HOVKURKJIYRRJO-RYUDHWBXSA-N 2 0 267.373 -0.083 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000662909260 419765894 /nfs/dbraw/zinc/76/58/94/419765894.db2.gz YZPDZZPNSGDLQO-MCIONIFRSA-N 2 0 280.416 -0.119 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000662907398 419767643 /nfs/dbraw/zinc/76/76/43/419767643.db2.gz UNYXBKAVLXRRRC-KGLIPLIRSA-N 2 0 296.415 -0.739 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662941580 419787332 /nfs/dbraw/zinc/78/73/32/419787332.db2.gz XTOHGWQVKVNWFO-UHFFFAOYSA-N 2 0 296.415 -0.265 20 0 CBADRP CC1(OCC(=O)N[C@@H](C[NH3+])C2CCCC2)C[NH2+]C1 ZINC000648176932 419768368 /nfs/dbraw/zinc/76/83/68/419768368.db2.gz SXULDYGJTIWJMV-NSHDSACASA-N 2 0 255.362 -0.001 20 0 CBADRP CC1(C)CC[NH2+][C@H]1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000662905622 419768559 /nfs/dbraw/zinc/76/85/59/419768559.db2.gz FIWSMMYNEQAPBX-STQMWFEESA-N 2 0 280.416 -0.119 20 0 CBADRP CC1(OCC(=O)N2CCC3(CC[NH2+]3)CC2)C[NH2+]C1 ZINC000648179368 419771021 /nfs/dbraw/zinc/77/10/21/419771021.db2.gz ONEMHLKWWTYPTJ-UHFFFAOYSA-N 2 0 253.346 -0.281 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1C[NH2+]CCO1 ZINC000648181075 419771084 /nfs/dbraw/zinc/77/10/84/419771084.db2.gz YVHUJFVXZGIZKU-GHMZBOCLSA-N 2 0 253.346 -0.234 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648185934 419771212 /nfs/dbraw/zinc/77/12/12/419771212.db2.gz JNZJKQLZUHBHSQ-NEPJUHHUSA-N 2 0 294.399 -0.355 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)C1(n2cccn2)CC[NH2+]CC1 ZINC000662921776 419775508 /nfs/dbraw/zinc/77/55/08/419775508.db2.gz BZZYRNFMGWEMAO-UHFFFAOYSA-N 2 0 289.383 -0.170 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648210256 419776535 /nfs/dbraw/zinc/77/65/35/419776535.db2.gz NTPYQSHCQICTMV-YPMHNXCESA-N 2 0 296.415 -0.123 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648210436 419776566 /nfs/dbraw/zinc/77/65/66/419776566.db2.gz RMYBXXPZGYIJFZ-VXGBXAGGSA-N 2 0 294.399 -0.355 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000662924253 419777685 /nfs/dbraw/zinc/77/76/85/419777685.db2.gz UFAHRTFXHIGEHT-GFCCVEGCSA-N 2 0 284.404 -0.264 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000662930687 419780383 /nfs/dbraw/zinc/78/03/83/419780383.db2.gz UZSSIVLURQIMAV-CYBMUJFWSA-N 2 0 296.415 -0.120 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000662932297 419781565 /nfs/dbraw/zinc/78/15/65/419781565.db2.gz JXNVTLJXYTXLJL-UHFFFAOYSA-N 2 0 284.404 -0.262 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000662930878 419781606 /nfs/dbraw/zinc/78/16/06/419781606.db2.gz WYGQRMABAAGYMF-LBPRGKRZSA-N 2 0 282.388 -0.510 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000662777288 419717581 /nfs/dbraw/zinc/71/75/81/419717581.db2.gz AGBZEVIKKLIIEJ-QWHCGFSZSA-N 2 0 280.416 -0.119 20 0 CBADRP COC[C@]1(CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CCC[NH2+]1 ZINC000662781240 419720875 /nfs/dbraw/zinc/72/08/75/419720875.db2.gz UFAPEHHZIQRHMC-NTZNESFSSA-N 2 0 271.361 -0.765 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662777925 419721290 /nfs/dbraw/zinc/72/12/90/419721290.db2.gz IZPKZCAEHRKDNX-OBJOEFQTSA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000662786223 419723727 /nfs/dbraw/zinc/72/37/27/419723727.db2.gz UXCQTWYMFJBIIV-SRVKXCTJSA-N 2 0 255.362 -0.001 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662788146 419724237 /nfs/dbraw/zinc/72/42/37/419724237.db2.gz XVTYBXQDOXUWRX-QWHCGFSZSA-N 2 0 285.388 -0.469 20 0 CBADRP O=C(N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C1(O)C[NH2+]C1 ZINC000662786276 419724451 /nfs/dbraw/zinc/72/44/51/419724451.db2.gz VWDMJVDRQWTRPD-QWRGUYRKSA-N 2 0 253.346 -0.831 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)CCO1 ZINC000662974049 419800211 /nfs/dbraw/zinc/80/02/11/419800211.db2.gz ZKWGCSGUQQTUIV-CYBMUJFWSA-N 2 0 299.415 -0.066 20 0 CBADRP C[NH+](C)CCC[C@H]1CN(C(=O)CCOC2C[NH2+]C2)CCO1 ZINC000662974050 419800761 /nfs/dbraw/zinc/80/07/61/419800761.db2.gz ZKWGCSGUQQTUIV-ZDUSSCGKSA-N 2 0 299.415 -0.066 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662973499 419801086 /nfs/dbraw/zinc/80/10/86/419801086.db2.gz QXCBYVWNAHPHDA-STQMWFEESA-N 2 0 287.404 -0.081 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000663010528 419809350 /nfs/dbraw/zinc/80/93/50/419809350.db2.gz KAZFOHVPWXFZGY-ZDUSSCGKSA-N 2 0 254.378 -0.508 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)CCOC2C[NH2+]C2)n1 ZINC000349057653 419810205 /nfs/dbraw/zinc/81/02/05/419810205.db2.gz RNQILCJCXFNLLS-UHFFFAOYSA-N 2 0 281.360 -0.238 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000649274452 419858736 /nfs/dbraw/zinc/85/87/36/419858736.db2.gz LUCWPRGHRVJWLB-XQQFMLRXSA-N 2 0 268.405 -0.040 20 0 CBADRP C[C@@H](C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)[NH+](C)C ZINC000648903257 419821438 /nfs/dbraw/zinc/82/14/38/419821438.db2.gz MIUHYGGHZAQZTL-AAEUAGOBSA-N 2 0 296.415 -0.252 20 0 CBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCOC2(C[NH2+]C2)C1 ZINC000663217001 419828034 /nfs/dbraw/zinc/82/80/34/419828034.db2.gz YYESJSLSEFVYLQ-LLVKDONJSA-N 2 0 280.372 -0.488 20 0 CBADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCOC2(C[NH2+]C2)C1 ZINC000663218062 419829873 /nfs/dbraw/zinc/82/98/73/419829873.db2.gz YJHOCHLFCVOBLL-JQWIXIFHSA-N 2 0 251.330 -0.813 20 0 CBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000649070057 419833793 /nfs/dbraw/zinc/83/37/93/419833793.db2.gz GPUJFHJMYRWWRE-VXGBXAGGSA-N 2 0 282.388 -0.484 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCOC2(C)C)CC1 ZINC000663369603 419834445 /nfs/dbraw/zinc/83/44/45/419834445.db2.gz CMIXCDTXBSOKJK-UONOGXRCSA-N 2 0 285.432 -0.001 20 0 CBADRP CC(=O)NCCNC(=O)NCCN(C)CCC[NH+](C)C ZINC000663435723 419840494 /nfs/dbraw/zinc/84/04/94/419840494.db2.gz CAYYJFUPOKLSIX-UHFFFAOYSA-N 2 0 287.408 -0.695 20 0 CBADRP N[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC[C@H]1F ZINC000663505496 419842250 /nfs/dbraw/zinc/84/22/50/419842250.db2.gz JGMGEHKHSROWIU-QJPTWQEYSA-N 2 0 272.368 -0.445 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663495643 419843199 /nfs/dbraw/zinc/84/31/99/419843199.db2.gz PAGFPBJZPPPAOP-BZPMIXESSA-N 3 0 266.389 -0.617 20 0 CBADRP C[C@H]1CC[NH2+][C@H](C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000662946296 419789483 /nfs/dbraw/zinc/78/94/83/419789483.db2.gz QTFYUNHYHGXTJI-WPRPVWTQSA-N 2 0 279.344 -0.355 20 0 CBADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000662946295 419789526 /nfs/dbraw/zinc/78/95/26/419789526.db2.gz QTFYUNHYHGXTJI-WCBMZHEXSA-N 2 0 279.344 -0.355 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000662946036 419790219 /nfs/dbraw/zinc/79/02/19/419790219.db2.gz MFUMEEZTWMQPTN-LBPRGKRZSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662945219 419791019 /nfs/dbraw/zinc/79/10/19/419791019.db2.gz JONCJGYIAWVMAK-VXGBXAGGSA-N 2 0 272.368 -0.478 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]cn2)[C@@H](C)C[NH2+]1 ZINC000662954485 419793805 /nfs/dbraw/zinc/79/38/05/419793805.db2.gz MGYZZBWSJZOCRU-ZJUUUORDSA-N 2 0 279.344 -0.423 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000662966279 419794725 /nfs/dbraw/zinc/79/47/25/419794725.db2.gz WQGVCEGQTLFUSB-RKDXNWHRSA-N 2 0 251.334 -0.176 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000662964937 419795398 /nfs/dbraw/zinc/79/53/98/419795398.db2.gz JQKTYCBMZHNCBA-UWVGGRQHSA-N 2 0 266.349 -0.632 20 0 CBADRP C[NH+](C)CCC[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CCO1 ZINC000662972528 419797677 /nfs/dbraw/zinc/79/76/77/419797677.db2.gz KGOOBOWNZUHSIB-QWHCGFSZSA-N 2 0 285.388 -0.456 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000355276257 419865002 /nfs/dbraw/zinc/86/50/02/419865002.db2.gz UDSFZJRYVCMYGN-NSHDSACASA-N 2 0 272.393 -0.537 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)CCOC2C[NH2+]C2)C1 ZINC000649310487 419874558 /nfs/dbraw/zinc/87/45/58/419874558.db2.gz MYHNGVYWHVEWKB-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP CCN(C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@H]1CC[N@H+](C)C1 ZINC000664082233 419878823 /nfs/dbraw/zinc/87/88/23/419878823.db2.gz AFOBDJWCPVODPX-UONOGXRCSA-N 2 0 297.447 -0.032 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649318862 419880458 /nfs/dbraw/zinc/88/04/58/419880458.db2.gz QHJXBQXMVOJEQB-XQHKEYJVSA-N 2 0 267.373 -0.036 20 0 CBADRP C[C@@H](CCNC(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+](C)C ZINC000664082229 419880623 /nfs/dbraw/zinc/88/06/23/419880623.db2.gz ACOLMKMNFUVCQO-QWHCGFSZSA-N 2 0 285.436 -0.128 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)NCC[N@H+](C)C2CC2)C[C@@H]1O ZINC000664093176 419881414 /nfs/dbraw/zinc/88/14/14/419881414.db2.gz DUHIQRJQJSGHNA-RYUDHWBXSA-N 2 0 270.377 -0.603 20 0 CBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000649321262 419884805 /nfs/dbraw/zinc/88/48/05/419884805.db2.gz QQFUQRMQWSFNCT-BJJPWKGXSA-N 2 0 279.384 -0.491 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000664219555 419888409 /nfs/dbraw/zinc/88/84/09/419888409.db2.gz RPXWAOMUQYKLFE-VOAKCMCISA-N 2 0 284.404 -0.215 20 0 CBADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357931666 419891743 /nfs/dbraw/zinc/89/17/43/419891743.db2.gz QJHNTSUIBCMMEL-MNOVXSKESA-N 2 0 273.296 -0.071 20 0 CBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000649330276 419892543 /nfs/dbraw/zinc/89/25/43/419892543.db2.gz MKOGLTGEZZSHDJ-TXEJJXNPSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](C)C1)[NH+](C)C ZINC000358063691 419895255 /nfs/dbraw/zinc/89/52/55/419895255.db2.gz ZMBUYSDCAWUQTL-AAEUAGOBSA-N 2 0 257.378 -0.245 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+](C)C ZINC000358063697 419895437 /nfs/dbraw/zinc/89/54/37/419895437.db2.gz ZMBUYSDCAWUQTL-WCQYABFASA-N 2 0 257.378 -0.245 20 0 CBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000649341798 419896516 /nfs/dbraw/zinc/89/65/16/419896516.db2.gz XLJVXIUQJMCPDS-MQYQWHSLSA-N 2 0 279.384 -0.368 20 0 CBADRP CC1(OCC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)C[NH2+]C1 ZINC000649341746 419896869 /nfs/dbraw/zinc/89/68/69/419896869.db2.gz UYWWVCZAKPXTQR-ZDUSSCGKSA-N 2 0 297.399 -0.454 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000666923990 544650680 /nfs/dbraw/zinc/65/06/80/544650680.db2.gz WJUDCGLLQYRVDM-JSGCOSHPSA-N 2 0 284.404 -0.164 20 0 CBADRP C[C@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1nccn1C ZINC000667246160 544657873 /nfs/dbraw/zinc/65/78/73/544657873.db2.gz APSZXKPZNBCINQ-SDDRHHMPSA-N 2 0 293.371 -0.059 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000649343206 419900686 /nfs/dbraw/zinc/90/06/86/419900686.db2.gz NYZZVAFYQCVRGH-PHIMTYICSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)C1(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000667940473 544678369 /nfs/dbraw/zinc/67/83/69/544678369.db2.gz DRUHVZCLPYBFPL-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](C(=O)N1C[C@H](C)N(CCO)C[C@@H]1C)[NH+](C)C ZINC000668041769 544682901 /nfs/dbraw/zinc/68/29/01/544682901.db2.gz WLMLKSDHZMAMKA-SRVKXCTJSA-N 2 0 257.378 -0.150 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000649359323 419905405 /nfs/dbraw/zinc/90/54/05/419905405.db2.gz UCARNSUXJOWTSK-ZIAGYGMSSA-N 2 0 280.416 -0.166 20 0 CBADRP C(C[N@@H+]1CC[C@H](CN2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000649413784 419908854 /nfs/dbraw/zinc/90/88/54/419908854.db2.gz DKEIFJFRVILNSA-HNNXBMFYSA-N 2 0 282.432 -0.454 20 0 CBADRP [NH3+]CCOCCN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000649411133 419909755 /nfs/dbraw/zinc/90/97/55/419909755.db2.gz VQAGZNLOGXENHU-CYBMUJFWSA-N 2 0 257.378 -0.242 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCNC1=O ZINC000668303384 544691826 /nfs/dbraw/zinc/69/18/26/544691826.db2.gz GMYLHEBVORYFQR-NSHDSACASA-N 2 0 270.377 -0.926 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C[C@@H](C)[NH+]1C ZINC000358713757 419914292 /nfs/dbraw/zinc/91/42/92/419914292.db2.gz SDAWPGJKSPKJEC-MCIONIFRSA-N 2 0 280.416 -0.073 20 0 CBADRP CCN(C(=O)C(=O)NCC[NH+](C)C1CC1)[C@H]1CC[N@H+](C)C1 ZINC000668656853 544712888 /nfs/dbraw/zinc/71/28/88/544712888.db2.gz FANXEELAXFWVID-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCNC1=O ZINC000668666161 544714636 /nfs/dbraw/zinc/71/46/36/544714636.db2.gz DGOLGGQQABJYNV-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP CC(CN1CCOC[C@@H](O)C1)C[N@@H+]1CCOC[C@@H](O)C1 ZINC000664774347 419915674 /nfs/dbraw/zinc/91/56/74/419915674.db2.gz MYGMWHZFHZTZFP-KBPBESRZSA-N 2 0 288.388 -0.991 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000669402970 544748245 /nfs/dbraw/zinc/74/82/45/544748245.db2.gz CIXINTDQOLKEJE-KBPBESRZSA-N 2 0 295.431 -0.230 20 0 CBADRP CN1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)[C@H](C[NH3+])C1 ZINC000669403089 544749799 /nfs/dbraw/zinc/74/97/99/544749799.db2.gz ISZQIRQDZQPWEF-NWDGAFQWSA-N 2 0 269.393 -0.635 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000669491144 544750167 /nfs/dbraw/zinc/75/01/67/544750167.db2.gz NDNIAAZACBUSEU-QWHCGFSZSA-N 2 0 282.388 -0.242 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)[NH3+] ZINC000669473248 544750236 /nfs/dbraw/zinc/75/02/36/544750236.db2.gz ZHEZNXVQDQJWFG-GHMZBOCLSA-N 2 0 258.366 -0.256 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[NH3+] ZINC000669473251 544750331 /nfs/dbraw/zinc/75/03/31/544750331.db2.gz ZHEZNXVQDQJWFG-WDEREUQCSA-N 2 0 258.366 -0.256 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H]2CCCC[NH2+]2)CC[NH2+]C1 ZINC000669509695 544750439 /nfs/dbraw/zinc/75/04/39/544750439.db2.gz ORBHWWGOFQXSKM-AAEUAGOBSA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@@H](C(=O)NCCC[NH+](C)C)N1CCN(C)CC1 ZINC000358805460 419921769 /nfs/dbraw/zinc/92/17/69/419921769.db2.gz XBQRBVXOQVWVBH-LBPRGKRZSA-N 2 0 256.394 -0.310 20 0 CBADRP CC1(C)C[NH2+]CCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000669512385 544750957 /nfs/dbraw/zinc/75/09/57/544750957.db2.gz LQQLPWGNGSIQGD-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000669514703 544752114 /nfs/dbraw/zinc/75/21/14/544752114.db2.gz AJZBULXBRPOSSA-YPMHNXCESA-N 2 0 284.404 -0.458 20 0 CBADRP CC(C)[C@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000669514856 544752978 /nfs/dbraw/zinc/75/29/78/544752978.db2.gz NDBWCJLGINXFAP-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)C1(C(=O)NCCCN2CCOCC2)CC1 ZINC000665108052 419931471 /nfs/dbraw/zinc/93/14/71/419931471.db2.gz QLJQMUHWQKRASL-UHFFFAOYSA-N 2 0 255.362 -0.081 20 0 CBADRP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000671627999 544826533 /nfs/dbraw/zinc/82/65/33/544826533.db2.gz AKLJPINGZNRWAW-JHJVBQTASA-N 2 0 269.389 -0.053 20 0 CBADRP Cc1nccn1CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000671962649 544835673 /nfs/dbraw/zinc/83/56/73/544835673.db2.gz CFMZILKLCZWGTQ-GFCCVEGCSA-N 2 0 293.371 -0.482 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCNC1=O ZINC000665337255 419946788 /nfs/dbraw/zinc/94/67/88/419946788.db2.gz GRDFGMRPVABSAN-NSHDSACASA-N 2 0 285.392 -0.990 20 0 CBADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)CC[NH2+]1 ZINC000650710250 419965388 /nfs/dbraw/zinc/96/53/88/419965388.db2.gz JNIRMUMNBZSTIT-IJLUTSLNSA-N 2 0 275.418 -0.002 20 0 CBADRP CC[N@H+](CCNC(=O)N1CC(N2CC[C@@H](O)C2)C1)C1CC1 ZINC000650818732 419968690 /nfs/dbraw/zinc/96/86/90/419968690.db2.gz WBSGESRNKBARJC-CQSZACIVSA-N 2 0 296.415 -0.069 20 0 CBADRP C[N@H+](CCNC(=O)N1CC(N2CC[C@@H](O)C2)C1)C1CC1 ZINC000650868797 419970485 /nfs/dbraw/zinc/97/04/85/419970485.db2.gz SWEVAWXEWSNXSE-CYBMUJFWSA-N 2 0 282.388 -0.459 20 0 CBADRP Cc1nc(N2CC([NH+](C)C)C2)nc(N2CC([NH+](C)C)C2)n1 ZINC000359767685 419985680 /nfs/dbraw/zinc/98/56/80/419985680.db2.gz MIHDAVCCYBTWJQ-UHFFFAOYSA-N 2 0 291.403 -0.320 20 0 CBADRP C[C@@H]1C[NH+](CC2(C[N@@H+]3C[C@H](O)[C@@H](C)C3)COC2)C[C@H]1O ZINC000360210318 420010411 /nfs/dbraw/zinc/01/04/11/420010411.db2.gz WSHGYONKMBWIMO-KPWCQOOUSA-N 2 0 284.400 -0.372 20 0 CBADRP CCN1CCO[C@@H](C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000360223931 420011402 /nfs/dbraw/zinc/01/14/02/420011402.db2.gz CTTYVLOERNKSRD-ZIAGYGMSSA-N 2 0 298.431 -0.541 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1C[C@H]([NH3+])[C@H](c2ccc(F)cc2)C1 ZINC000364159303 420030521 /nfs/dbraw/zinc/03/05/21/420030521.db2.gz GMIOFHVSCQXDHR-RYUDHWBXSA-N 2 0 294.330 -0.846 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000364213905 420032138 /nfs/dbraw/zinc/03/21/38/420032138.db2.gz JNGOSWBUICJCFQ-UMSGYPCISA-N 2 0 269.389 -0.054 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652145454 420048665 /nfs/dbraw/zinc/04/86/65/420048665.db2.gz ODXFIJYTNDJWFJ-UHFFFAOYSA-N 2 0 272.393 -0.007 20 0 CBADRP CC[NH2+]CCCNC(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652201157 420049498 /nfs/dbraw/zinc/04/94/98/420049498.db2.gz XIPMNSYZFHPTKK-VXGBXAGGSA-N 2 0 272.393 -0.009 20 0 CBADRP CCO[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000652205029 420050757 /nfs/dbraw/zinc/05/07/57/420050757.db2.gz KUXSRRUUUIAVLH-GRYCIOLGSA-N 2 0 270.377 -0.256 20 0 CBADRP CCO[C@@H]1CN(C(=O)NC[C@H]2CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000652205030 420050910 /nfs/dbraw/zinc/05/09/10/420050910.db2.gz KUXSRRUUUIAVLH-IJLUTSLNSA-N 2 0 270.377 -0.256 20 0 CBADRP CCO[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C[C@H]1C[NH3+] ZINC000652215208 420051009 /nfs/dbraw/zinc/05/10/09/420051009.db2.gz HTWOOFHZOUKJRU-UMSGYPCISA-N 2 0 284.404 -0.010 20 0 CBADRP CCO[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C[C@H]1C[NH3+] ZINC000652217470 420051075 /nfs/dbraw/zinc/05/10/75/420051075.db2.gz YNRSPIQERHVEJX-UMSGYPCISA-N 2 0 284.404 -0.010 20 0 CBADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCC1C[NH2+]C1)C2 ZINC000652210868 420051192 /nfs/dbraw/zinc/05/11/92/420051192.db2.gz KTBMSHVUBSNNPH-AAEUAGOBSA-N 2 0 252.362 -0.024 20 0 CBADRP CCO[C@@H]1CN(C(=O)NCC[NH2+]C2CC2)C[C@H]1C[NH3+] ZINC000652203740 420051432 /nfs/dbraw/zinc/05/14/32/420051432.db2.gz WPEKBPIQBBFFOA-ZYHUDNBSSA-N 2 0 270.377 -0.256 20 0 CBADRP CCO[C@@H]1CN(C(=O)N[C@H](C)CC[NH3+])C[C@H]1C[NH3+] ZINC000652211531 420051923 /nfs/dbraw/zinc/05/19/23/420051923.db2.gz BGJUQADKDMFXNV-GMTAPVOTSA-N 2 0 258.366 -0.271 20 0 CBADRP [NH3+]CC1(CCNC(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000652224094 420052752 /nfs/dbraw/zinc/05/27/52/420052752.db2.gz TUQLWHGEOBXZQW-JTQLQIEISA-N 2 0 256.350 -0.597 20 0 CBADRP CCOCCN1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H]1C ZINC000365094446 420054919 /nfs/dbraw/zinc/05/49/19/420054919.db2.gz WDIKMDGJUCCDQU-JHJVBQTASA-N 2 0 285.388 -0.722 20 0 CBADRP C[NH2+]C[C@](C)(O)CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000652338518 420056730 /nfs/dbraw/zinc/05/67/30/420056730.db2.gz QCQIVPGVZLHIAV-KGLIPLIRSA-N 2 0 271.405 -0.247 20 0 CBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000652336923 420057317 /nfs/dbraw/zinc/05/73/17/420057317.db2.gz OWCJWSHWYNZXRR-HIFRSBDPSA-N 2 0 299.415 -0.472 20 0 CBADRP CCO[C@@H]1C[N@H+](CCC(=O)N2CCOCC2)C[C@H]1C[NH3+] ZINC000652357386 420059552 /nfs/dbraw/zinc/05/95/52/420059552.db2.gz MSKURHNGGCPUTC-CHWSQXEVSA-N 2 0 285.388 -0.469 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)[NH+]1CCC(C)CC1 ZINC000365332513 420059875 /nfs/dbraw/zinc/05/98/75/420059875.db2.gz TXVJUBHOHHBLEM-RWMBFGLXSA-N 2 0 269.389 -0.054 20 0 CBADRP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)NC(N)=O)CC1 ZINC000365400745 420061998 /nfs/dbraw/zinc/06/19/98/420061998.db2.gz AOMSNFBXCBEHHD-SNVBAGLBSA-N 2 0 256.350 -0.013 20 0 CBADRP C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CCC[NH2+]C1 ZINC000653046763 420110195 /nfs/dbraw/zinc/11/01/95/420110195.db2.gz OFMCGVVPPRXSEP-OPDFLTKYSA-N 2 0 267.373 -0.273 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000653045935 420110254 /nfs/dbraw/zinc/11/02/54/420110254.db2.gz WLQRHIIPKBGMRI-WDEREUQCSA-N 2 0 268.361 -0.948 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000653047098 420110757 /nfs/dbraw/zinc/11/07/57/420110757.db2.gz FFSVTIILTGPEQA-YNEHKIRRSA-N 2 0 296.415 -0.183 20 0 CBADRP CC[C@@H](C)NC(=O)CCNC(=O)[C@H](N)CC[NH+](C)C ZINC000653074394 420112537 /nfs/dbraw/zinc/11/25/37/420112537.db2.gz GQGIVQOEUUSJCY-GHMZBOCLSA-N 2 0 272.393 -0.314 20 0 CBADRP CCCN(C(=O)C[C@H]1COCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000367649968 420112513 /nfs/dbraw/zinc/11/25/13/420112513.db2.gz YFYBSLKIDFAVGT-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[C@H](C)NC(=O)CCNC(=O)[C@H](N)CC[NH+](C)C ZINC000653074397 420113588 /nfs/dbraw/zinc/11/35/88/420113588.db2.gz GQGIVQOEUUSJCY-WDEREUQCSA-N 2 0 272.393 -0.314 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC000653108433 420115779 /nfs/dbraw/zinc/11/57/79/420115779.db2.gz XLMFRBVYJYKDDS-GFCCVEGCSA-N 2 0 256.394 -0.182 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653110406 420115862 /nfs/dbraw/zinc/11/58/62/420115862.db2.gz HVHSCWDJLLEJJZ-DYEKYZERSA-N 2 0 267.373 -0.320 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000653112613 420115986 /nfs/dbraw/zinc/11/59/86/420115986.db2.gz DEDAAPZDFMJJSX-JQWIXIFHSA-N 2 0 254.378 -0.382 20 0 CBADRP C[NH+](C)C(C)(C)CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653105497 420116905 /nfs/dbraw/zinc/11/69/05/420116905.db2.gz YSYLBZNESSICRU-GWCFXTLKSA-N 2 0 255.362 -0.321 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000653105020 420117694 /nfs/dbraw/zinc/11/76/94/420117694.db2.gz BMAZGZUWTQHZBG-NSHDSACASA-N 2 0 258.410 -0.031 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000653115586 420118200 /nfs/dbraw/zinc/11/82/00/420118200.db2.gz TYNQJVHMPLHUTF-VXGBXAGGSA-N 2 0 256.394 -0.182 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653123671 420118663 /nfs/dbraw/zinc/11/86/63/420118663.db2.gz DASQMPGYHLQMAI-UHXUCMFUSA-N 2 0 279.384 -0.179 20 0 CBADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653117872 420118758 /nfs/dbraw/zinc/11/87/58/420118758.db2.gz XXWXGPPLEPQDQB-NHYWBVRUSA-N 2 0 299.334 -0.136 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653115553 420119364 /nfs/dbraw/zinc/11/93/64/420119364.db2.gz SNVZKNSCNKJFGO-SCRDCRAPSA-N 2 0 267.373 -0.225 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC000653121981 420119453 /nfs/dbraw/zinc/11/94/53/420119453.db2.gz HYTOAUBXCLZZLJ-NEPJUHHUSA-N 2 0 256.394 -0.277 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000653115585 420120783 /nfs/dbraw/zinc/12/07/83/420120783.db2.gz TYNQJVHMPLHUTF-RYUDHWBXSA-N 2 0 256.394 -0.182 20 0 CBADRP CC(C)[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[NH2+]1 ZINC000653133042 420121455 /nfs/dbraw/zinc/12/14/55/420121455.db2.gz VRHGNPRFXRSGIC-SCRDCRAPSA-N 2 0 267.373 -0.321 20 0 CBADRP O=C(N1CCC[C@@]2(CC[NH2+]C2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653140939 420121608 /nfs/dbraw/zinc/12/16/08/420121608.db2.gz QTULKJAIFQWRJU-QEJZJMRPSA-N 2 0 279.384 -0.176 20 0 CBADRP O=C(N1CC[C@@H]2CC[NH2+][C@H]2C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653134097 420121659 /nfs/dbraw/zinc/12/16/59/420121659.db2.gz MEZQJHDZUZARDK-MNXVOIDGSA-N 2 0 265.357 -0.567 20 0 CBADRP C[C@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[NH2+]1 ZINC000653136375 420121674 /nfs/dbraw/zinc/12/16/74/420121674.db2.gz NVWYWFZKYUOUNT-KQXIARHKSA-N 2 0 253.346 -0.521 20 0 CBADRP O=C([C@@H]1CCC[NH2+]CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000653141504 420121808 /nfs/dbraw/zinc/12/18/08/420121808.db2.gz UZKIIEYKOVKQKZ-KGLIPLIRSA-N 2 0 280.416 -0.118 20 0 CBADRP COC[C@@]1(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCC[NH2+]1 ZINC000653139520 420122033 /nfs/dbraw/zinc/12/20/33/420122033.db2.gz JJJYNUMNWFWRHA-UBHSHLNASA-N 2 0 283.372 -0.893 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC000653147785 420123161 /nfs/dbraw/zinc/12/31/61/420123161.db2.gz AAMKAGRGMULHFU-ZDUSSCGKSA-N 2 0 286.420 -0.554 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653147079 420123469 /nfs/dbraw/zinc/12/34/69/420123469.db2.gz MYAYBHQUXQKZGQ-XZUYRWCXSA-N 2 0 253.346 -0.534 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000653162243 420124005 /nfs/dbraw/zinc/12/40/05/420124005.db2.gz UHNAFLLBANUGMC-NWDGAFQWSA-N 2 0 256.394 -0.101 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C[C@H]1C[NH3+] ZINC000653163171 420124688 /nfs/dbraw/zinc/12/46/88/420124688.db2.gz KENFEALNRMQORY-NMKXLXIOSA-N 2 0 267.373 -0.334 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C[C@@]1(C)C[NH3+] ZINC000653162720 420124788 /nfs/dbraw/zinc/12/47/88/420124788.db2.gz CZTBHMCGFDPDSF-WVWOOGAGSA-N 2 0 267.373 -0.334 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000653176030 420126613 /nfs/dbraw/zinc/12/66/13/420126613.db2.gz ILCWEGORRSPORK-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)[C@@H]1CC[NH3+] ZINC000653233231 420127626 /nfs/dbraw/zinc/12/76/26/420127626.db2.gz SMKWBFNLSKZXTR-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CC1(CCNC(=O)CN2CCCC[C@H]([NH3+])C2=O)CC1 ZINC000653222476 420127702 /nfs/dbraw/zinc/12/77/02/420127702.db2.gz CMZKBMPWPFPBSZ-NSHDSACASA-N 2 0 282.388 -0.429 20 0 CBADRP C[NH2+]Cc1ccccc1CNC(=O)CNC(=O)C[NH3+] ZINC000653214132 420127888 /nfs/dbraw/zinc/12/78/88/420127888.db2.gz HZQFTCRXGDRRON-UHFFFAOYSA-N 2 0 264.329 -0.903 20 0 CBADRP [NH3+]CC1(CCNC(=O)CN2CCCC[C@@H]([NH3+])C2=O)CC1 ZINC000653222475 420128057 /nfs/dbraw/zinc/12/80/57/420128057.db2.gz CMZKBMPWPFPBSZ-LLVKDONJSA-N 2 0 282.388 -0.429 20 0 CBADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1C[NH2+]CCO1)C2 ZINC000653197432 420128819 /nfs/dbraw/zinc/12/88/19/420128819.db2.gz FHDYMRQXSQGPRP-SCRDCRAPSA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+]CC1(CCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000653221303 420129037 /nfs/dbraw/zinc/12/90/37/420129037.db2.gz QSLFWSDQJLWPHO-NSHDSACASA-N 2 0 282.388 -0.510 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000653247748 420129630 /nfs/dbraw/zinc/12/96/30/420129630.db2.gz PTHMKLYMWHIAJD-WZRBSPASSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000653261267 420134737 /nfs/dbraw/zinc/13/47/37/420134737.db2.gz PPKLTNGJPSQUAO-ZOBORPQBSA-N 2 0 297.399 -0.138 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000653275011 420134804 /nfs/dbraw/zinc/13/48/04/420134804.db2.gz UNZJSEGGDGRBDS-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@H]([NH2+]C2CCOCC2)C1=O ZINC000653283681 420135207 /nfs/dbraw/zinc/13/52/07/420135207.db2.gz LUUFMXNREKWGOV-NSHDSACASA-N 2 0 269.345 -0.556 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000368597347 420136724 /nfs/dbraw/zinc/13/67/24/420136724.db2.gz IVAWCYRDZTUDER-SDDRHHMPSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000368597348 420137459 /nfs/dbraw/zinc/13/74/59/420137459.db2.gz IVAWCYRDZTUDER-SRVKXCTJSA-N 2 0 255.362 -0.001 20 0 CBADRP CN1CCC[C@@H]([NH2+][C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000653283976 420138109 /nfs/dbraw/zinc/13/81/09/420138109.db2.gz UTUIIGQYXLQEID-VXGBXAGGSA-N 2 0 282.388 -0.641 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000652695519 420071998 /nfs/dbraw/zinc/07/19/98/420071998.db2.gz VYCMZGVBYJSCDM-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652696060 420072749 /nfs/dbraw/zinc/07/27/49/420072749.db2.gz FOEITNDNVFYMIF-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCC[NH3+] ZINC000652694168 420072852 /nfs/dbraw/zinc/07/28/52/420072852.db2.gz QIUWDDNCLMDVCB-UHFFFAOYSA-N 2 0 258.366 -0.845 20 0 CBADRP C[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)[NH+]1CCCC1 ZINC000653347940 420141230 /nfs/dbraw/zinc/14/12/30/420141230.db2.gz WBMCGZODVHJEPK-DYEKYZERSA-N 2 0 267.373 -0.177 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000652697648 420074161 /nfs/dbraw/zinc/07/41/61/420074161.db2.gz KDNJHKGOLMYDIO-UHFFFAOYSA-N 2 0 268.361 -0.981 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000652698803 420074196 /nfs/dbraw/zinc/07/41/96/420074196.db2.gz KQBJEQMUDSPHQQ-LBPRGKRZSA-N 2 0 286.420 -0.066 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000652697113 420074311 /nfs/dbraw/zinc/07/43/11/420074311.db2.gz XFVSVOAOYNSMJQ-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652698877 420074380 /nfs/dbraw/zinc/07/43/80/420074380.db2.gz MAPIKUSYOXEAFI-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000652706294 420075743 /nfs/dbraw/zinc/07/57/43/420075743.db2.gz ZQGWNQURGGEXPZ-LBPRGKRZSA-N 2 0 286.420 -0.114 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652713845 420076708 /nfs/dbraw/zinc/07/67/08/420076708.db2.gz YHBZYXRZHULIHG-LBPRGKRZSA-N 2 0 296.415 -0.168 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652714183 420077303 /nfs/dbraw/zinc/07/73/03/420077303.db2.gz FRADQPUBNCXRBH-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1=O ZINC000652735104 420079229 /nfs/dbraw/zinc/07/92/29/420079229.db2.gz BUJKIDBXUGGEMY-LBPRGKRZSA-N 2 0 282.388 -0.687 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000652731199 420079557 /nfs/dbraw/zinc/07/95/57/420079557.db2.gz DCLAOZHCIHXUSO-UHFFFAOYSA-N 2 0 296.415 -0.247 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NCC[N@H+]1CC=CCC1 ZINC000653348388 420141399 /nfs/dbraw/zinc/14/13/99/420141399.db2.gz FVEQGNHQDIQYBE-GFCCVEGCSA-N 2 0 254.378 -0.357 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000366347061 420083455 /nfs/dbraw/zinc/08/34/55/420083455.db2.gz MXZLSPYWQIYURL-VXGBXAGGSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@H](CNC(=O)[C@]1(F)CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000366345345 420083557 /nfs/dbraw/zinc/08/35/57/420083557.db2.gz IJZVMEYTEPJBSV-YPMHNXCESA-N 2 0 272.368 -0.560 20 0 CBADRP CN1CCN(C(=O)CN2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000366483448 420087800 /nfs/dbraw/zinc/08/78/00/420087800.db2.gz POHREBYLERKUDR-OAHLLOKOSA-N 3 0 280.416 -0.212 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NCC[N@H+]1CC=CCC1 ZINC000653348389 420141650 /nfs/dbraw/zinc/14/16/50/420141650.db2.gz FVEQGNHQDIQYBE-LBPRGKRZSA-N 2 0 254.378 -0.357 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000366557838 420089812 /nfs/dbraw/zinc/08/98/12/420089812.db2.gz UCWALEOMGIXXDH-STQMWFEESA-N 2 0 286.395 -0.170 20 0 CBADRP CC[N@H+](C)C[C@@H](O)Cn1cc(CCCC[NH3+])nn1 ZINC000385279614 420199921 /nfs/dbraw/zinc/19/99/21/420199921.db2.gz KCEIRRFLHODRAP-GFCCVEGCSA-N 2 0 255.366 -0.128 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](C(C)C)CC1 ZINC000382461215 420200418 /nfs/dbraw/zinc/20/04/18/420200418.db2.gz XZAGQSNQEOHENA-CQSZACIVSA-N 2 0 273.421 -0.049 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCC[NH+]1CCCCC1 ZINC000388250572 420203523 /nfs/dbraw/zinc/20/35/23/420203523.db2.gz HTJVFZYGJFMDDJ-LBPRGKRZSA-N 2 0 291.417 -0.620 20 0 CBADRP C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000389417432 420204514 /nfs/dbraw/zinc/20/45/14/420204514.db2.gz MTJIEVINRHDFBK-GRYCIOLGSA-N 2 0 291.417 -0.671 20 0 CBADRP C[C@@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)[N@H+](C)C1CC1 ZINC000388499576 420205466 /nfs/dbraw/zinc/20/54/66/420205466.db2.gz GZCROELXQVFQJI-CMPLNLGQSA-N 2 0 291.417 -0.623 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)CCC1 ZINC000672982551 544865297 /nfs/dbraw/zinc/86/52/97/544865297.db2.gz YUBXMTIRTIQTCZ-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)C1CC[NH+](C)CC1 ZINC000396446373 420213697 /nfs/dbraw/zinc/21/36/97/420213697.db2.gz CMUHWOHPAOEGRY-ZYHUDNBSSA-N 2 0 255.362 -0.179 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@]12CCNC2=O ZINC000653717279 420157671 /nfs/dbraw/zinc/15/76/71/420157671.db2.gz ODASTADPBMJSMR-JSGCOSHPSA-N 2 0 285.388 -0.720 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000653694687 420157982 /nfs/dbraw/zinc/15/79/82/420157982.db2.gz NNWWWLNOGWDWPZ-MELADBBJSA-N 2 0 271.405 -0.439 20 0 CBADRP C[NH+](C)CCN1CCCN(C(=O)C[NH+](C)C)CC1 ZINC000370064000 420171626 /nfs/dbraw/zinc/17/16/26/420171626.db2.gz FVHXWYXIEWWMNL-UHFFFAOYSA-N 2 0 256.394 -0.356 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CCC[NH2+]CC2)CC1=O ZINC000370021504 420171906 /nfs/dbraw/zinc/17/19/06/420171906.db2.gz QLKDLJYBJBXPRO-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@H+](CCNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000654440404 420178402 /nfs/dbraw/zinc/17/84/02/420178402.db2.gz IQPYWSSASYDRCL-QWHCGFSZSA-N 2 0 282.388 -0.459 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000654460822 420181543 /nfs/dbraw/zinc/18/15/43/420181543.db2.gz AZHQMRXVKMASBD-XDQVBPFNSA-N 2 0 296.415 -0.071 20 0 CBADRP CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000401160118 420221725 /nfs/dbraw/zinc/22/17/25/420221725.db2.gz SLFXPEUOOOAEGP-RVMXOQNASA-N 2 0 287.429 -0.002 20 0 CBADRP CS(=O)(=O)NCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400981352 420222909 /nfs/dbraw/zinc/22/29/09/420222909.db2.gz UQNHKRCDFLXPLQ-QJPTWQEYSA-N 2 0 275.418 -0.097 20 0 CBADRP CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000401160114 420223042 /nfs/dbraw/zinc/22/30/42/420223042.db2.gz SLFXPEUOOOAEGP-LPWJVIDDSA-N 2 0 287.429 -0.002 20 0 CBADRP C[C@H]1CCC[N@H+](CCN2C(=O)CNC2=O)[C@@H]1CC[NH3+] ZINC000404288418 420223782 /nfs/dbraw/zinc/22/37/82/420223782.db2.gz JGHCQQHNETZERJ-WDEREUQCSA-N 2 0 268.361 -0.013 20 0 CBADRP C[NH+](C)C[C@H]1CCCCN1C(=O)CNC(=O)C[NH3+] ZINC000405010227 420226178 /nfs/dbraw/zinc/22/61/78/420226178.db2.gz CUYFQLHLMYRFFH-SNVBAGLBSA-N 2 0 256.350 -0.996 20 0 CBADRP O=C([C@@H]1CCC[NH+]1C1CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655294614 420236706 /nfs/dbraw/zinc/23/67/06/420236706.db2.gz CUGDCAMYFCKPQG-MJBXVCDLSA-N 2 0 279.384 -0.109 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418950787 420242637 /nfs/dbraw/zinc/24/26/37/420242637.db2.gz TYQLYKVRNAVVMT-PWSUYJOCSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418931739 420242747 /nfs/dbraw/zinc/24/27/47/420242747.db2.gz HHTZIZZJZIYCOH-AVGNSLFASA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CC2)[C@@H](C)C[NH2+]1 ZINC000419095541 420243887 /nfs/dbraw/zinc/24/38/87/420243887.db2.gz CLBFIXXBLMRZTN-QWRGUYRKSA-N 2 0 282.388 -0.594 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000418948750 420244233 /nfs/dbraw/zinc/24/42/33/420244233.db2.gz QQOOMSKRIPYTJY-MNOVXSKESA-N 2 0 272.393 -0.314 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419135879 420244272 /nfs/dbraw/zinc/24/42/72/420244272.db2.gz MBCVHNYKEBKVOV-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000419799098 420244816 /nfs/dbraw/zinc/24/48/16/420244816.db2.gz ZLXNHSYBEMZDLA-UHFFFAOYSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000419524956 420244823 /nfs/dbraw/zinc/24/48/23/420244823.db2.gz QQYCJGJBNZFBST-RYUDHWBXSA-N 2 0 296.415 -0.027 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000419427645 420244860 /nfs/dbraw/zinc/24/48/60/420244860.db2.gz SDBBITIQUHQFNB-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC[NH2+]1 ZINC000419239241 420245015 /nfs/dbraw/zinc/24/50/15/420245015.db2.gz NRIWESBWQVQSQA-NSHDSACASA-N 2 0 282.388 -0.593 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419847373 420245352 /nfs/dbraw/zinc/24/53/52/420245352.db2.gz SZRQLIDZZRKOGY-OLZOCXBDSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000419524958 420245537 /nfs/dbraw/zinc/24/55/37/420245537.db2.gz QQYCJGJBNZFBST-VXGBXAGGSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000419582146 420245663 /nfs/dbraw/zinc/24/56/63/420245663.db2.gz JEFWNJCXPONDRB-WOPDTQHZSA-N 2 0 296.415 -0.029 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000419767577 420245729 /nfs/dbraw/zinc/24/57/29/420245729.db2.gz BZYSZWYNWQHDAK-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655414128 420246303 /nfs/dbraw/zinc/24/63/03/420246303.db2.gz HDYHMWAYNUQXEJ-HIFRSBDPSA-N 2 0 280.416 -0.260 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NCC[N@H+](CC)C1CC1 ZINC000419501127 420246554 /nfs/dbraw/zinc/24/65/54/420246554.db2.gz ASHJXAIEBIXECF-UHFFFAOYSA-N 2 0 270.377 -0.687 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000420135565 420247389 /nfs/dbraw/zinc/24/73/89/420247389.db2.gz DXYPFKUVCYZCAO-AGIUHOORSA-N 2 0 296.415 -0.347 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419901833 420248205 /nfs/dbraw/zinc/24/82/05/420248205.db2.gz VDLDYYGRZRVBDT-VXGBXAGGSA-N 2 0 296.415 -0.075 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CCCO1 ZINC000655479066 420254421 /nfs/dbraw/zinc/25/44/21/420254421.db2.gz IVJSMHOGLGNTBH-DYEKYZERSA-N 2 0 267.373 -0.048 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000655488828 420255010 /nfs/dbraw/zinc/25/50/10/420255010.db2.gz GRDSSVGHQYORKL-FMSGJZPZSA-N 2 0 267.373 -0.321 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000422976087 420255376 /nfs/dbraw/zinc/25/53/76/420255376.db2.gz UOEAJAOOHOKFST-NWDGAFQWSA-N 2 0 282.388 -0.608 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000423199141 420255412 /nfs/dbraw/zinc/25/54/12/420255412.db2.gz JFLWSMJZCDAXRR-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP [NH3+]C[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)C(F)(F)F ZINC000655505299 420260548 /nfs/dbraw/zinc/26/05/48/420260548.db2.gz VUOWMTUTAAIHFI-BQBZGAKWSA-N 2 0 255.240 -0.629 20 0 CBADRP COC[C@]1(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC[NH2+]C1 ZINC000655518655 420262017 /nfs/dbraw/zinc/26/20/17/420262017.db2.gz JBUKFESAOPYIAK-APPZFPTMSA-N 2 0 269.267 -0.382 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655755286 420271126 /nfs/dbraw/zinc/27/11/26/420271126.db2.gz WEHLWXDHGNMHAI-HUUCEWRRSA-N 2 0 283.416 -0.104 20 0 CBADRP O=C([C@@H]1CCC[N@H+](CCn2cncn2)C1)N1CC[NH2+]CC1 ZINC000430611088 420272716 /nfs/dbraw/zinc/27/27/16/420272716.db2.gz NBJALEKNFULWLZ-CYBMUJFWSA-N 2 0 292.387 -0.578 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655923690 420278563 /nfs/dbraw/zinc/27/85/63/420278563.db2.gz BICUMWUJFJFQIH-VXNVDRBHSA-N 2 0 284.282 -0.758 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655968092 420284064 /nfs/dbraw/zinc/28/40/64/420284064.db2.gz MCDWOASKZYETJM-XWLWVQCSSA-N 2 0 256.350 -0.818 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655966217 420284614 /nfs/dbraw/zinc/28/46/14/420284614.db2.gz QIQSWOYEJFJERV-RWMBFGLXSA-N 2 0 282.388 -0.411 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]1 ZINC000655967025 420285602 /nfs/dbraw/zinc/28/56/02/420285602.db2.gz KRMQVCHBISJGBI-ZDEQEGDKSA-N 2 0 282.388 -0.413 20 0 CBADRP [NH3+]CCCCCn1cc(CN2CC[NH2+]CC2)nn1 ZINC000656453520 420309630 /nfs/dbraw/zinc/30/96/30/420309630.db2.gz XZHSQGDWEMSCLJ-UHFFFAOYSA-N 2 0 252.366 -0.188 20 0 CBADRP COCCC1CN(C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000656702780 420319277 /nfs/dbraw/zinc/31/92/77/420319277.db2.gz IVAIUEMIIAPEFR-ZDUSSCGKSA-N 2 0 260.378 -0.106 20 0 CBADRP C[C@H](Cn1cncn1)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000657870291 420363433 /nfs/dbraw/zinc/36/34/33/420363433.db2.gz BYKGWLZCNNBBBH-CHWSQXEVSA-N 2 0 266.393 -0.108 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673518552 544876284 /nfs/dbraw/zinc/87/62/84/544876284.db2.gz CKBPJZIITTXMSU-OLZOCXBDSA-N 2 0 269.389 -0.004 20 0 CBADRP CCOC(=O)CCCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000516785206 420364133 /nfs/dbraw/zinc/36/41/33/420364133.db2.gz HDPWYAJKIJYPOU-RYUDHWBXSA-N 2 0 283.372 -0.036 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000516180186 420362064 /nfs/dbraw/zinc/36/20/64/420362064.db2.gz DPTKOATZKJYWCM-SRVKXCTJSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656019146 420291751 /nfs/dbraw/zinc/29/17/51/420291751.db2.gz AEVXZHQANGMXRE-VXGBXAGGSA-N 2 0 282.388 -0.416 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656022702 420293401 /nfs/dbraw/zinc/29/34/01/420293401.db2.gz KLABPLRMZHZSOI-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656022377 420293426 /nfs/dbraw/zinc/29/34/26/420293426.db2.gz XTUVDUWCBSITDR-TXEJJXNPSA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000656020711 420293644 /nfs/dbraw/zinc/29/36/44/420293644.db2.gz VOMCHNBSRPANPG-SDDRHHMPSA-N 2 0 282.388 -0.689 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000656019219 420293714 /nfs/dbraw/zinc/29/37/14/420293714.db2.gz COCSKTKQGLTNSF-BJHJDKERSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000656025006 420294055 /nfs/dbraw/zinc/29/40/55/420294055.db2.gz VNBOUKJKNSIOOS-PHIMTYICSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000656043094 420294708 /nfs/dbraw/zinc/29/47/08/420294708.db2.gz ZHMRKDHORUGJSF-SDDRHHMPSA-N 2 0 282.388 -0.737 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656025990 420294724 /nfs/dbraw/zinc/29/47/24/420294724.db2.gz YPNPVNYYIKODJD-WUHRBBMRSA-N 2 0 296.415 -0.443 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000656028504 420295579 /nfs/dbraw/zinc/29/55/79/420295579.db2.gz LXEKPCQESZATBP-RWMBFGLXSA-N 2 0 294.399 -0.321 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656062115 420296514 /nfs/dbraw/zinc/29/65/14/420296514.db2.gz IGQHLQOWMRLDQQ-TXEJJXNPSA-N 2 0 284.404 -0.537 20 0 CBADRP COCCOC[C@@H](O)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656153752 420300600 /nfs/dbraw/zinc/30/06/00/420300600.db2.gz MIBIXBSBIBYUER-XQQFMLRXSA-N 2 0 260.378 -0.060 20 0 CBADRP C[C@]1(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CCC[NH2+]1 ZINC000516929927 420368227 /nfs/dbraw/zinc/36/82/27/420368227.db2.gz WAEHPZWWJZGJKD-BXUZGUMPSA-N 2 0 282.388 -0.416 20 0 CBADRP C[C@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCC[NH2+]1 ZINC000516929930 420368426 /nfs/dbraw/zinc/36/84/26/420368426.db2.gz WAEHPZWWJZGJKD-SMDDNHRTSA-N 2 0 282.388 -0.416 20 0 CBADRP C[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCC[NH2+]1 ZINC000516929928 420368666 /nfs/dbraw/zinc/36/86/66/420368666.db2.gz WAEHPZWWJZGJKD-FZMZJTMJSA-N 2 0 282.388 -0.416 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000517028473 420370940 /nfs/dbraw/zinc/37/09/40/420370940.db2.gz GSUZKPKXFACVPH-CHWSQXEVSA-N 2 0 266.389 -0.365 20 0 CBADRP CN1CCN(C(=O)NCC2([NH3+])CCCCC2)[C@@H](C[NH3+])C1 ZINC000517225259 420374331 /nfs/dbraw/zinc/37/43/31/420374331.db2.gz RULJMAONAVEIBG-LBPRGKRZSA-N 2 0 283.420 -0.068 20 0 CBADRP O=C(NC1C[NH2+]C1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000517342726 420376333 /nfs/dbraw/zinc/37/63/33/420376333.db2.gz OXCKZURONRDAHX-ZDUSSCGKSA-N 2 0 294.399 -0.449 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000517384867 420376366 /nfs/dbraw/zinc/37/63/66/420376366.db2.gz BNZANOBXRSPXSI-CVZZAPKMSA-N 2 0 283.372 -0.003 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000517375492 420376943 /nfs/dbraw/zinc/37/69/43/420376943.db2.gz QTLQSLNBRZOGPO-STQMWFEESA-N 2 0 294.399 -0.402 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000519713016 420385868 /nfs/dbraw/zinc/38/58/68/420385868.db2.gz OKDFCCXJZNUHOC-XQQFMLRXSA-N 2 0 296.415 -0.312 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000521994258 420392141 /nfs/dbraw/zinc/39/21/41/420392141.db2.gz YXYWCOGWSHQMFZ-TUAOUCFPSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000521994259 420392489 /nfs/dbraw/zinc/39/24/89/420392489.db2.gz YXYWCOGWSHQMFZ-UTUOFQBUSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](C)[NH+](C)C ZINC000674263818 544900652 /nfs/dbraw/zinc/90/06/52/544900652.db2.gz OWUHALVNVPKPAC-NEPJUHHUSA-N 2 0 256.394 -0.311 20 0 CBADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+](C)C ZINC000674288398 544901157 /nfs/dbraw/zinc/90/11/57/544901157.db2.gz DXQDZDJIYGNXSN-KBPBESRZSA-N 2 0 298.431 -0.541 20 0 CBADRP C[C@@H](C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[NH+](C)C ZINC000674289943 544902738 /nfs/dbraw/zinc/90/27/38/544902738.db2.gz XHIXZXLVDCWPLO-LBPRGKRZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000516864976 420366169 /nfs/dbraw/zinc/36/61/69/420366169.db2.gz KYVHMKCTRTXKOM-UPJWGTAASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](NC(=O)CN1CCN(C)CC1)[C@@H]1CN(C)CCO1 ZINC000676346635 544948492 /nfs/dbraw/zinc/94/84/92/544948492.db2.gz COTQICNFRDWATR-STQMWFEESA-N 2 0 284.404 -0.931 20 0 CBADRP C[C@H](NC(=O)[C@H](C)N1CCN(C)CC1)[C@@H]1CN(C)CCO1 ZINC000676347982 544949384 /nfs/dbraw/zinc/94/93/84/544949384.db2.gz KYUWSESCEHDERJ-IHRRRGAJSA-N 2 0 298.431 -0.542 20 0 CBADRP CC(C)C[C@](C)(C[NH3+])NC(=O)c1cn(CC[NH3+])nn1 ZINC000659292747 420407262 /nfs/dbraw/zinc/40/72/62/420407262.db2.gz UQAKWSYCSJQQLD-GFCCVEGCSA-N 2 0 268.365 -0.270 20 0 CBADRP C[C@H]1C[C@H](NC(=O)CN2CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000674689006 544912245 /nfs/dbraw/zinc/91/22/45/544912245.db2.gz GNYBQBYYEDICQB-STQMWFEESA-N 2 0 280.416 -0.025 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000548017411 420420691 /nfs/dbraw/zinc/42/06/91/420420691.db2.gz AMKFPEMKGDWMSH-MNOVXSKESA-N 2 0 295.412 0.451 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659459484 420421718 /nfs/dbraw/zinc/42/17/18/420421718.db2.gz YYFDNOFUJVOZRC-IJLUTSLNSA-N 2 0 288.367 -0.212 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000676998617 544965900 /nfs/dbraw/zinc/96/59/00/544965900.db2.gz XDZUPBDWPXIQNC-YPMHNXCESA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000676998616 544966214 /nfs/dbraw/zinc/96/62/14/544966214.db2.gz XDZUPBDWPXIQNC-DGCLKSJQSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659483904 420423304 /nfs/dbraw/zinc/42/33/04/420423304.db2.gz BMGQXDWHPAKLMJ-UHFFFAOYSA-N 2 0 270.377 -0.303 20 0 CBADRP C[C@@H]1C[C@@H](C)N(C(=O)c2cn(CC[NH3+])nn2)C[C@H]1C[NH3+] ZINC000659326038 420413288 /nfs/dbraw/zinc/41/32/88/420413288.db2.gz PTLPZKLOIHUGII-GMTAPVOTSA-N 2 0 280.376 -0.318 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659359362 420415789 /nfs/dbraw/zinc/41/57/89/420415789.db2.gz QRRMLCNUBGOXKB-JTQLQIEISA-N 2 0 258.366 -0.927 20 0 CBADRP C[C@@H]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000659378674 420416191 /nfs/dbraw/zinc/41/61/91/420416191.db2.gz VTVQCFVCSJYFBY-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000677868608 544986812 /nfs/dbraw/zinc/98/68/12/544986812.db2.gz JDGFAUPQIFTGJC-QWHCGFSZSA-N 2 0 266.389 -0.413 20 0 CBADRP CC[NH2+]CCCNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000563607634 420436341 /nfs/dbraw/zinc/43/63/41/420436341.db2.gz BEEADEZQZQIAEM-UHFFFAOYSA-N 2 0 282.392 0.566 20 0 CBADRP Cc1cncc(CCNC(=O)N2CCN(C)C[C@@H]2C[NH3+])n1 ZINC000659605271 420436371 /nfs/dbraw/zinc/43/63/71/420436371.db2.gz BWIROMWFZIKZCH-ZDUSSCGKSA-N 2 0 292.387 -0.388 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000659611306 420436991 /nfs/dbraw/zinc/43/69/91/420436991.db2.gz NLKTUUYXVYAIQH-OWYJLGKBSA-N 2 0 293.415 -0.573 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)NCCCN1CC[NH2+]CC1 ZINC000659506993 420426221 /nfs/dbraw/zinc/42/62/21/420426221.db2.gz ZYLWMTIJKGYNRX-UHFFFAOYSA-N 2 0 281.404 -0.586 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CCc2nnnn2C)CN1C1CC1 ZINC000678498355 545017727 /nfs/dbraw/zinc/01/77/27/545017727.db2.gz ICHCQDQOXMLACS-ZJUUUORDSA-N 2 0 250.350 -0.033 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659514958 420427743 /nfs/dbraw/zinc/42/77/43/420427743.db2.gz GPQWVEZHHSXZKU-STQMWFEESA-N 2 0 282.388 -0.099 20 0 CBADRP CCC[NH2+]CCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659527270 420429199 /nfs/dbraw/zinc/42/91/99/420429199.db2.gz UXIKIMYMFGELEM-UHFFFAOYSA-N 2 0 282.348 -0.560 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)NCC12CC(C1)C[NH2+]2 ZINC000659548506 420432164 /nfs/dbraw/zinc/43/21/64/420432164.db2.gz HZOBGUHJCCPWRU-AKJDGMEZSA-N 2 0 268.361 -0.584 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000377535956 230292327 /nfs/dbraw/zinc/29/23/27/230292327.db2.gz OBDZGVNVJZKVMW-SRVKXCTJSA-N 2 0 255.362 -0.144 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000659552931 420433520 /nfs/dbraw/zinc/43/35/20/420433520.db2.gz GWEUOEOVIFGOPE-RYUDHWBXSA-N 2 0 270.377 -0.242 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659750057 420467370 /nfs/dbraw/zinc/46/73/70/420467370.db2.gz DFWBZTDBDDTENB-QWRGUYRKSA-N 2 0 284.404 -0.301 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659753856 420468712 /nfs/dbraw/zinc/46/87/12/420468712.db2.gz NZOFXZKDFQBSBX-NSHDSACASA-N 2 0 272.393 -0.441 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)C2(C)C[NH2+]C2)n1 ZINC000580650898 420469411 /nfs/dbraw/zinc/46/94/11/420469411.db2.gz UKHQZYRTDCXAAF-UHFFFAOYSA-N 2 0 251.334 -0.007 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000659612936 420437958 /nfs/dbraw/zinc/43/79/58/420437958.db2.gz YHYWXRVVESTQQE-LBPRGKRZSA-N 2 0 282.388 -0.146 20 0 CBADRP C[C@@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H](C)C[NH2+]1 ZINC000659628886 420438618 /nfs/dbraw/zinc/43/86/18/420438618.db2.gz LMISNABNJHAHKT-RKDXNWHRSA-N 2 0 294.359 -0.467 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)[C@H](C)C1 ZINC000659615320 420438924 /nfs/dbraw/zinc/43/89/24/420438924.db2.gz YSBQFTGAKJTNGO-SIUPQYRZSA-N 2 0 296.415 -0.165 20 0 CBADRP C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H](C)[NH3+] ZINC000493945261 230340573 /nfs/dbraw/zinc/34/05/73/230340573.db2.gz PJAVIPWYEBUYMM-GRYCIOLGSA-N 2 0 284.404 -0.327 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000659636633 420441786 /nfs/dbraw/zinc/44/17/86/420441786.db2.gz XSZOSVVZDIRMHB-QJPTWQEYSA-N 2 0 272.393 -0.309 20 0 CBADRP COC[C@@]1(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[NH2+]C1 ZINC000565306693 420441846 /nfs/dbraw/zinc/44/18/46/420441846.db2.gz DCPZTWLBVHMLGY-CQSZACIVSA-N 2 0 295.387 0.009 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000659641861 420442773 /nfs/dbraw/zinc/44/27/73/420442773.db2.gz IVBASZYJVLMYLN-VXGBXAGGSA-N 2 0 299.419 -0.377 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000659643273 420442835 /nfs/dbraw/zinc/44/28/35/420442835.db2.gz PTUQGCNHGKIWGR-RYUDHWBXSA-N 2 0 272.393 -0.260 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000659648919 420443113 /nfs/dbraw/zinc/44/31/13/420443113.db2.gz WAPGLDLKUGRMMA-LBPRGKRZSA-N 3 0 273.425 -0.271 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000659647200 420443277 /nfs/dbraw/zinc/44/32/77/420443277.db2.gz LXHSRYMCTNLIMQ-OLZOCXBDSA-N 2 0 284.404 -0.042 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000659643096 420443635 /nfs/dbraw/zinc/44/36/35/420443635.db2.gz NNSAZGXXKRYBME-NEPJUHHUSA-N 2 0 269.393 -0.717 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC[N@@H+]1C ZINC000659677665 420448022 /nfs/dbraw/zinc/44/80/22/420448022.db2.gz GUQKGFMDOPWMGG-QWRGUYRKSA-N 2 0 284.404 -0.219 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000659684765 420448713 /nfs/dbraw/zinc/44/87/13/420448713.db2.gz LTWUICMYQGFGRL-UHFFFAOYSA-N 2 0 296.415 -0.075 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000659686548 420449019 /nfs/dbraw/zinc/44/90/19/420449019.db2.gz GFEOLVRIAPOHSY-VXGBXAGGSA-N 2 0 286.420 -0.068 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659687340 420449043 /nfs/dbraw/zinc/44/90/43/420449043.db2.gz UBFFWLGBUNQDII-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659686874 420449324 /nfs/dbraw/zinc/44/93/24/420449324.db2.gz LWEWDBCNAXTLRT-CDWSIMAYSA-N 2 0 282.388 -0.689 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000659695117 420450715 /nfs/dbraw/zinc/45/07/15/420450715.db2.gz RVEOMIQFMWFZHS-JFGNBEQYSA-N 2 0 282.388 -0.691 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000659694473 420450729 /nfs/dbraw/zinc/45/07/29/420450729.db2.gz UECPAEDQJAHWKB-HBNTYKKESA-N 2 0 282.388 -0.548 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000659699880 420452041 /nfs/dbraw/zinc/45/20/41/420452041.db2.gz XDUBLTCLAQFYHK-HIFPTAJRSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000659700634 420452277 /nfs/dbraw/zinc/45/22/77/420452277.db2.gz PQNGNXMESLWRGM-HIFPTAJRSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000659702557 420452498 /nfs/dbraw/zinc/45/24/98/420452498.db2.gz PVFYUKSFLNTGCR-UWVGGRQHSA-N 2 0 270.377 -0.691 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659705144 420453075 /nfs/dbraw/zinc/45/30/75/420453075.db2.gz VGDCRDCYCUJEOD-MNOVXSKESA-N 2 0 282.388 -0.689 20 0 CBADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659704605 420453130 /nfs/dbraw/zinc/45/31/30/420453130.db2.gz MKDGBNHDCLWVHQ-NWDGAFQWSA-N 2 0 280.372 -0.935 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000659709765 420453701 /nfs/dbraw/zinc/45/37/01/420453701.db2.gz LNYISYJTNPKCKK-VXGBXAGGSA-N 2 0 296.415 -0.075 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH3+])C1 ZINC000659709870 420454134 /nfs/dbraw/zinc/45/41/34/420454134.db2.gz MNXAJLRNNYXRRH-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP [NH3+]CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659709934 420454973 /nfs/dbraw/zinc/45/49/73/420454973.db2.gz NQWOROPXUCKSAX-GFCCVEGCSA-N 2 0 296.415 -0.025 20 0 CBADRP [NH3+]CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659709939 420455272 /nfs/dbraw/zinc/45/52/72/420455272.db2.gz NQWOROPXUCKSAX-LBPRGKRZSA-N 2 0 296.415 -0.025 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000659711332 420455326 /nfs/dbraw/zinc/45/53/26/420455326.db2.gz ZQEIFNFGFHFDNQ-SDDRHHMPSA-N 2 0 282.388 -0.547 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000659715957 420456860 /nfs/dbraw/zinc/45/68/60/420456860.db2.gz UBDGNDAYGWXTJD-RYUDHWBXSA-N 2 0 282.388 -0.560 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000659715958 420457384 /nfs/dbraw/zinc/45/73/84/420457384.db2.gz UBDGNDAYGWXTJD-VXGBXAGGSA-N 2 0 282.388 -0.560 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000659717115 420457746 /nfs/dbraw/zinc/45/77/46/420457746.db2.gz ZWRYHMQDVDTYCL-XQQFMLRXSA-N 2 0 296.415 -0.027 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000659717504 420458410 /nfs/dbraw/zinc/45/84/10/420458410.db2.gz HZTOQQIQGZDDGY-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000659720864 420458960 /nfs/dbraw/zinc/45/89/60/420458960.db2.gz FXLNHBOFOKGJOB-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000659722119 420459207 /nfs/dbraw/zinc/45/92/07/420459207.db2.gz MQSKRJJUHFAKIM-AGIUHOORSA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000659725438 420460297 /nfs/dbraw/zinc/46/02/97/420460297.db2.gz XAPMPGKYEQSSHE-NSHDSACASA-N 2 0 296.415 -0.027 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000659738860 420462995 /nfs/dbraw/zinc/46/29/95/420462995.db2.gz JGSBJANWGPKUDG-DOMZBBRYSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)C1 ZINC000659738156 420463584 /nfs/dbraw/zinc/46/35/84/420463584.db2.gz AUBZCPZFUVHQLZ-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659738162 420463687 /nfs/dbraw/zinc/46/36/87/420463687.db2.gz AULKNIXDFWQWIK-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659738163 420463788 /nfs/dbraw/zinc/46/37/88/420463788.db2.gz AULKNIXDFWQWIK-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[NH3+])C1 ZINC000659738212 420463919 /nfs/dbraw/zinc/46/39/19/420463919.db2.gz BVDBSXHWIAIURM-JTQLQIEISA-N 2 0 256.350 -0.996 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659742033 420464740 /nfs/dbraw/zinc/46/47/40/420464740.db2.gz YOCUITYMVZVBHU-AVERBVTBSA-N 2 0 294.399 -0.593 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000659739432 420464928 /nfs/dbraw/zinc/46/49/28/420464928.db2.gz UJQAZWWGEJQLAY-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000659739489 420465100 /nfs/dbraw/zinc/46/51/00/420465100.db2.gz VYZGKFYPYTVKPK-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000659740999 420465229 /nfs/dbraw/zinc/46/52/29/420465229.db2.gz IOAMJTXUNYNRSD-NWDGAFQWSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659744418 420466034 /nfs/dbraw/zinc/46/60/34/420466034.db2.gz VNXCIXSMYJZDPQ-AVERBVTBSA-N 2 0 294.399 -0.545 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659743914 420466071 /nfs/dbraw/zinc/46/60/71/420466071.db2.gz OLWVSFYWYQXLEV-UHFFFAOYSA-N 2 0 294.399 -0.593 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659749374 420466309 /nfs/dbraw/zinc/46/63/09/420466309.db2.gz HCEJGDNZLJTHHD-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659749822 420467003 /nfs/dbraw/zinc/46/70/03/420467003.db2.gz KEYDYJFQDVUIQV-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000659750943 420467099 /nfs/dbraw/zinc/46/70/99/420467099.db2.gz DZMKUYFXGOESDO-QJPTWQEYSA-N 2 0 282.388 -0.737 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000659750848 420467120 /nfs/dbraw/zinc/46/71/20/420467120.db2.gz QNLYKEHBGHDSDS-QJPTWQEYSA-N 2 0 284.404 -0.348 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000659750850 420467137 /nfs/dbraw/zinc/46/71/37/420467137.db2.gz QNLYKEHBGHDSDS-SDDRHHMPSA-N 2 0 284.404 -0.348 20 0 CBADRP Nc1ccc(CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn1 ZINC000594738634 420486262 /nfs/dbraw/zinc/48/62/62/420486262.db2.gz IWUBINSWXYYMHA-WDEREUQCSA-N 2 0 261.329 -0.592 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000517932484 260320499 /nfs/dbraw/zinc/32/04/99/260320499.db2.gz MFGDLDMYSWRORC-SRVKXCTJSA-N 2 0 280.372 -0.935 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000517934345 260320702 /nfs/dbraw/zinc/32/07/02/260320702.db2.gz ZIUBBBNCYYHUPD-OAHLLOKOSA-N 2 0 288.395 -0.105 20 0 CBADRP COC[C@@]1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC000518180738 260350872 /nfs/dbraw/zinc/35/08/72/260350872.db2.gz ZMSNEZCLWRQHDL-DZGCQCFKSA-N 2 0 296.415 -0.881 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H]2CC[N@H+](C)C2)CC[NH2+]C1 ZINC000310811037 262175043 /nfs/dbraw/zinc/17/50/43/262175043.db2.gz GIMSDVMXJGNEDB-DGCLKSJQSA-N 2 0 255.362 -0.320 20 0 CBADRP [NH3+]CCNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000518943707 265238419 /nfs/dbraw/zinc/23/84/19/265238419.db2.gz OXPKDXAHOIITFQ-UHFFFAOYSA-N 2 0 282.388 -0.462 20 0 CBADRP C[C@]1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000519710956 265563241 /nfs/dbraw/zinc/56/32/41/265563241.db2.gz IEEVHIXPRMIWMQ-JSGCOSHPSA-N 2 0 266.389 -0.508 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000529338036 269631467 /nfs/dbraw/zinc/63/14/67/269631467.db2.gz IAVXUSMXMSXQFA-QWHCGFSZSA-N 2 0 283.420 -0.471 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529387248 269634023 /nfs/dbraw/zinc/63/40/23/269634023.db2.gz LCFTYXGJWPPAIX-GHMZBOCLSA-N 2 0 256.350 -0.632 20 0 CBADRP CNC(=O)NC(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238376 269639663 /nfs/dbraw/zinc/63/96/63/269639663.db2.gz MREIRRHGZPGSEJ-LBPRGKRZSA-N 2 0 298.387 -0.468 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000575236430 335086745 /nfs/dbraw/zinc/08/67/45/335086745.db2.gz RBIOCPHDQKBLBE-CHWSQXEVSA-N 2 0 283.420 -0.374 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000418945156 276106996 /nfs/dbraw/zinc/10/69/96/276106996.db2.gz MMAFXFUXDQOGJI-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419860410 276184417 /nfs/dbraw/zinc/18/44/17/276184417.db2.gz KRPYOZMWDMVQRC-NWDGAFQWSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000423736805 276760783 /nfs/dbraw/zinc/76/07/83/276760783.db2.gz CAGIIAPCJSXERH-OLZOCXBDSA-N 2 0 285.388 -0.456 20 0 CBADRP C[N@H+](C[C@H](O)CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000685562526 545081865 /nfs/dbraw/zinc/08/18/65/545081865.db2.gz RBBROGDYIKBNLC-JYJNAYRXSA-N 2 0 297.443 -0.028 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)C1 ZINC000419584467 277042204 /nfs/dbraw/zinc/04/22/04/277042204.db2.gz KVBOVYXNCDLOQH-QWRGUYRKSA-N 2 0 282.388 -0.594 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424215341 277058701 /nfs/dbraw/zinc/05/87/01/277058701.db2.gz FRLGLIHMOICRGU-OPRDCNLKSA-N 2 0 257.334 -0.347 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000342736213 277059191 /nfs/dbraw/zinc/05/91/91/277059191.db2.gz MUQJAOTXUAIZIS-UWVGGRQHSA-N 2 0 259.350 -0.277 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000419849089 277267908 /nfs/dbraw/zinc/26/79/08/277267908.db2.gz WTJZBRQGHYWKQK-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)C1 ZINC000423245389 277294253 /nfs/dbraw/zinc/29/42/53/277294253.db2.gz OWQMQDOMELYVBA-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)([NH3+])CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000420074959 277306551 /nfs/dbraw/zinc/30/65/51/277306551.db2.gz ITYRMMSKXVUXSH-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)(O)C[NH+]1CCN(C(=O)NCC2([NH3+])CCC2)CC1 ZINC000332486195 277315591 /nfs/dbraw/zinc/31/55/91/277315591.db2.gz QOICIMAPRYMWDF-UHFFFAOYSA-N 2 0 284.404 -0.034 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000422545520 277328633 /nfs/dbraw/zinc/32/86/33/277328633.db2.gz XHJKPACOIHXJPX-QWRGUYRKSA-N 2 0 271.361 -0.099 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423066053 277379528 /nfs/dbraw/zinc/37/95/28/277379528.db2.gz VYMUEZXAVWMEPB-ZDUSSCGKSA-N 2 0 298.431 -0.018 20 0 CBADRP CC(C)C[NH+]1CCC(NC(=O)CNC(=O)C[NH3+])CC1 ZINC000347689474 277383543 /nfs/dbraw/zinc/38/35/43/277383543.db2.gz SCLTUCIDSMGVDU-UHFFFAOYSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000419029781 278182707 /nfs/dbraw/zinc/18/27/07/278182707.db2.gz SCFZYEXOAMEPKC-UTUOFQBUSA-N 2 0 284.404 -0.314 20 0 CBADRP CC1(C)C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000053298676 278330755 /nfs/dbraw/zinc/33/07/55/278330755.db2.gz PJTZLWMYOSOYTF-UHFFFAOYSA-N 2 0 255.362 -0.081 20 0 CBADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000375976295 278526180 /nfs/dbraw/zinc/52/61/80/278526180.db2.gz UFUORWCVYJJPIS-VXGBXAGGSA-N 2 0 268.405 -0.134 20 0 CBADRP CC(C)([NH3+])CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000420082291 278627391 /nfs/dbraw/zinc/62/73/91/278627391.db2.gz UVMVNQQCCVQXBZ-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000362836523 288084306 /nfs/dbraw/zinc/08/43/06/288084306.db2.gz HKXXRPKAMMPEOS-UPJWGTAASA-N 2 0 269.389 -0.027 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000362448776 288086747 /nfs/dbraw/zinc/08/67/47/288086747.db2.gz SHHKOBDHBUFJHK-KGLIPLIRSA-N 2 0 282.432 -0.062 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420596554 279104667 /nfs/dbraw/zinc/10/46/67/279104667.db2.gz HNCFDCVXPIXAQR-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000419150118 279136070 /nfs/dbraw/zinc/13/60/70/279136070.db2.gz LUOPYNQGVYVONU-VXGBXAGGSA-N 2 0 286.420 -0.068 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000423660606 279148078 /nfs/dbraw/zinc/14/80/78/279148078.db2.gz GJRQXVVRTMLBEF-CHWSQXEVSA-N 2 0 296.415 -0.121 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])C1 ZINC000419949627 279166530 /nfs/dbraw/zinc/16/65/30/279166530.db2.gz GIJVNCCPRKUUPF-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000220319437 279168266 /nfs/dbraw/zinc/16/82/66/279168266.db2.gz IZUMVXVNGRNMJE-QJPTWQEYSA-N 2 0 255.362 -0.348 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000376072254 279176101 /nfs/dbraw/zinc/17/61/01/279176101.db2.gz ZOBUBXORAIMQDY-OLZOCXBDSA-N 2 0 268.405 -0.134 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000419523574 279190384 /nfs/dbraw/zinc/19/03/84/279190384.db2.gz OMFSHAUSDZQZDR-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C)C1CC1 ZINC000419520979 279190542 /nfs/dbraw/zinc/19/05/42/279190542.db2.gz JHSYSXGDIGVHAS-NWDGAFQWSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419334315 288115109 /nfs/dbraw/zinc/11/51/09/288115109.db2.gz MZEHJUAWHNLHDE-KOLCDFICSA-N 2 0 282.388 -0.561 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC[NH3+] ZINC000419592094 279268361 /nfs/dbraw/zinc/26/83/61/279268361.db2.gz RVNVRZJEVDQTEK-LLVKDONJSA-N 2 0 270.377 -0.558 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419576785 279268672 /nfs/dbraw/zinc/26/86/72/279268672.db2.gz CHEVZSIFOQPHFU-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000332355629 279283826 /nfs/dbraw/zinc/28/38/26/279283826.db2.gz SCCZVPMNYLROHJ-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419430482 279300335 /nfs/dbraw/zinc/30/03/35/279300335.db2.gz VXKTZTCHNDEUBT-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)C[NH3+])CC1=O ZINC000262545454 279305914 /nfs/dbraw/zinc/30/59/14/279305914.db2.gz UVXSUNUSQHYTGD-YNEHKIRRSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351522902 279325106 /nfs/dbraw/zinc/32/51/06/279325106.db2.gz MMIPCGXYWPYNTL-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419884212 279331751 /nfs/dbraw/zinc/33/17/51/279331751.db2.gz FNCFBSOSMWKVCQ-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP Cn1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(=O)n(C)c1=O ZINC000346851427 279337146 /nfs/dbraw/zinc/33/71/46/279337146.db2.gz JUNJJHXPTQSRIZ-ZMLRMANQSA-N 2 0 278.356 -0.747 20 0 CBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424162302 279362344 /nfs/dbraw/zinc/36/23/44/279362344.db2.gz ZKSXNKJEIAWLJH-UPJWGTAASA-N 2 0 268.405 -0.277 20 0 CBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[NH2+]CCO3)C2)CC1 ZINC000424173621 279371890 /nfs/dbraw/zinc/37/18/90/279371890.db2.gz LLSPALPCFBEFPP-UONOGXRCSA-N 2 0 296.415 -0.787 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000419881096 279499518 /nfs/dbraw/zinc/49/95/18/279499518.db2.gz ASGOPPYKKMYLFV-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@@H]1C[NH+](CCCCNC(=O)COC2C[NH2+]C2)C[C@@H](C)O1 ZINC000430718663 288158509 /nfs/dbraw/zinc/15/85/09/288158509.db2.gz YACQFOBWHWDBLX-CHWSQXEVSA-N 2 0 299.415 -0.020 20 0 CBADRP CC[C@@H](C(=O)NCCN1CC[NH+](C)CC1)[NH+](C)C ZINC000359423540 280076416 /nfs/dbraw/zinc/07/64/16/280076416.db2.gz BZOANYRKHVMEKM-LBPRGKRZSA-N 2 0 256.394 -0.310 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000376200181 280104031 /nfs/dbraw/zinc/10/40/31/280104031.db2.gz TXNIKMKAUGDAIN-AVGNSLFASA-N 2 0 267.373 -0.035 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000370771796 280104270 /nfs/dbraw/zinc/10/42/70/280104270.db2.gz IDQQCUMGICUNAB-CRWXNKLISA-N 2 0 279.384 -0.083 20 0 CBADRP C[C@H]1[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CCC[N@@H+]1C ZINC000419541706 280116432 /nfs/dbraw/zinc/11/64/32/280116432.db2.gz DGBOCSHDVORLBW-QJPTWQEYSA-N 2 0 282.388 -0.465 20 0 CBADRP CC(C)[C@H](C(=O)N(C)CC(=O)N1CC[NH2+]CC1)[C@@H](C)[NH3+] ZINC000422752769 280135234 /nfs/dbraw/zinc/13/52/34/280135234.db2.gz FJXQONPPQWSBNM-YPMHNXCESA-N 2 0 284.404 -0.504 20 0 CBADRP CC(C)[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+](C)C ZINC000132010393 280145395 /nfs/dbraw/zinc/14/53/95/280145395.db2.gz QGALBYQVCLRGAK-CHWSQXEVSA-N 2 0 298.431 -0.114 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[N@@H+]1C[C@H](C)O ZINC000262058138 280369943 /nfs/dbraw/zinc/36/99/43/280369943.db2.gz RLQCQFFGJIJNLH-DGAVXFQQSA-N 2 0 299.415 -0.204 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CC[N@@H+]1C[C@H](C)O ZINC000246748167 280370541 /nfs/dbraw/zinc/37/05/41/280370541.db2.gz ZQDIGYUFGXQDJA-XQQFMLRXSA-N 2 0 285.388 -0.722 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC[N@@H+]1CCOC ZINC000424142024 280371420 /nfs/dbraw/zinc/37/14/20/280371420.db2.gz HRARUIYNDYWXHZ-UTUOFQBUSA-N 2 0 255.362 -0.097 20 0 CBADRP CC[C@H](C(=O)NCC1(O)CC[NH+](C)CC1)[NH+](C)C ZINC000338966534 280674802 /nfs/dbraw/zinc/67/48/02/280674802.db2.gz NHRSRPVEUWRCSV-LLVKDONJSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000332560520 288307516 /nfs/dbraw/zinc/30/75/16/288307516.db2.gz QDUZRLOOQKOVTD-UPJWGTAASA-N 2 0 294.399 -0.450 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NC1C[NH2+]C1 ZINC000372573136 281458532 /nfs/dbraw/zinc/45/85/32/281458532.db2.gz QVQXLLWRVKNHSR-OPQQBVKSSA-N 2 0 253.346 -0.393 20 0 CBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000353160659 288356060 /nfs/dbraw/zinc/35/60/60/288356060.db2.gz DSZNCPNZNCXCMK-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CCOCC1 ZINC000261845437 282040911 /nfs/dbraw/zinc/04/09/11/282040911.db2.gz QYZOVUIHPUNVHA-NEPJUHHUSA-N 2 0 285.388 -0.280 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCC[N@@H+]1C ZINC000419556951 289049248 /nfs/dbraw/zinc/04/92/48/289049248.db2.gz LMMUGOPPUVRJKR-LPWJVIDDSA-N 2 0 294.399 -0.594 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)CCC[N@@H+]1C ZINC000343294741 289049306 /nfs/dbraw/zinc/04/93/06/289049306.db2.gz JOSFMTYKMVODLU-DGCLKSJQSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+](C)C1(CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CCC1 ZINC000446616097 289050753 /nfs/dbraw/zinc/05/07/53/289050753.db2.gz VGILQYOHSIADSR-AWEZNQCLSA-N 2 0 284.404 -0.164 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[NH+](C)C ZINC000341850157 289076756 /nfs/dbraw/zinc/07/67/56/289076756.db2.gz GEYQQYLKFCXBOI-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@](C)(C[NH3+])C2CC2)CC1=O ZINC000237161239 289158062 /nfs/dbraw/zinc/15/80/62/289158062.db2.gz GMLUSGLJPFQQAQ-XHDPSFHLSA-N 2 0 296.415 -0.360 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)CCO1 ZINC000343842022 289200665 /nfs/dbraw/zinc/20/06/65/289200665.db2.gz AIBLOBXFOFDHLD-NWDGAFQWSA-N 2 0 255.362 -0.225 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000419135279 289297654 /nfs/dbraw/zinc/29/76/54/289297654.db2.gz KWIISFJPQXWOHU-GHMZBOCLSA-N 2 0 284.404 -0.171 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000091313346 289370084 /nfs/dbraw/zinc/37/00/84/289370084.db2.gz YFNZOAYAKFQXHZ-RYUDHWBXSA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000419144582 289531973 /nfs/dbraw/zinc/53/19/73/289531973.db2.gz FVCUFBFHFUATRJ-OLZOCXBDSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000423724483 289538955 /nfs/dbraw/zinc/53/89/55/289538955.db2.gz RJKUFRQPUALAAF-GFCCVEGCSA-N 2 0 296.415 -0.121 20 0 CBADRP C[NH+]1CCC(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000343654380 289870349 /nfs/dbraw/zinc/87/03/49/289870349.db2.gz JWJAQFCVSUDGHZ-AWEZNQCLSA-N 2 0 280.416 -0.166 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C1([NH3+])CCCCC1 ZINC000449703645 290060587 /nfs/dbraw/zinc/06/05/87/290060587.db2.gz UMTMDNXLOYKDPM-LLVKDONJSA-N 2 0 254.378 -0.332 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H]2CC[NH2+]C2)C[C@H]1C ZINC000427290684 290092981 /nfs/dbraw/zinc/09/29/81/290092981.db2.gz BUJZDQMLERCMNR-FRRDWIJNSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C[NH3+])C2CC2)[C@@H](C)C1 ZINC000418409090 290098359 /nfs/dbraw/zinc/09/83/59/290098359.db2.gz VGXAQJGRGWAXGI-GVXVVHGQSA-N 2 0 284.404 -0.180 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000332713215 290237661 /nfs/dbraw/zinc/23/76/61/290237661.db2.gz LRJIQRJIZOYVBP-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000164990986 290388746 /nfs/dbraw/zinc/38/87/46/290388746.db2.gz LWODGNCHOSKBIQ-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000514861534 293268823 /nfs/dbraw/zinc/26/88/23/293268823.db2.gz XIPWOFHGACBIEL-KBPBESRZSA-N 2 0 267.373 -0.176 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]C1 ZINC000333459293 293272778 /nfs/dbraw/zinc/27/27/78/293272778.db2.gz YUIFBYGZDKGPIV-LOWVWBTDSA-N 2 0 255.362 -0.273 20 0 CBADRP Cn1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c(=O)n(C)c1=O ZINC000347081386 294234895 /nfs/dbraw/zinc/23/48/95/294234895.db2.gz YLINYJSURUCLRC-SNVBAGLBSA-N 2 0 266.345 -0.745 20 0 CBADRP NC(=O)NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252881564 295072603 /nfs/dbraw/zinc/07/26/03/295072603.db2.gz YWAPKDCRXBNIAW-GUBZILKMSA-N 2 0 254.334 -0.369 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[C@@H]1CCC[C@@H]1[NH3+] ZINC000340117753 295110139 /nfs/dbraw/zinc/11/01/39/295110139.db2.gz DEDJDIFJMXZOHN-AVGNSLFASA-N 2 0 296.415 -0.040 20 0 CBADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000364612130 295214765 /nfs/dbraw/zinc/21/47/65/295214765.db2.gz QRHMOYHTFRUTRL-SZQBSXBZSA-N 2 0 267.373 -0.003 20 0 CBADRP [NH3+]CC1(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000414661695 295222997 /nfs/dbraw/zinc/22/29/97/295222997.db2.gz XQTPQVOPZCRKBY-CYBMUJFWSA-N 3 0 280.416 -0.131 20 0 CBADRP [NH3+]CCCC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000430793983 295227502 /nfs/dbraw/zinc/22/75/02/295227502.db2.gz OGKIJTUXKADOJP-GFCCVEGCSA-N 2 0 255.362 -0.094 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000364726623 295255519 /nfs/dbraw/zinc/25/55/19/295255519.db2.gz ZKRCGXOPSUMFAQ-WPRPVWTQSA-N 2 0 263.345 -0.087 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000333938557 295259733 /nfs/dbraw/zinc/25/97/33/295259733.db2.gz MNPXYCZRDCYADA-UPJWGTAASA-N 2 0 282.388 -0.018 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000333938555 295259847 /nfs/dbraw/zinc/25/98/47/295259847.db2.gz MNPXYCZRDCYADA-FRRDWIJNSA-N 2 0 282.388 -0.018 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332203242 295269007 /nfs/dbraw/zinc/26/90/07/295269007.db2.gz DKRBLBJGSWTNBR-NEPJUHHUSA-N 2 0 280.372 -0.757 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C[C@H]3COCC[NH2+]3)C[C@H]21 ZINC000375835558 295308011 /nfs/dbraw/zinc/30/80/11/295308011.db2.gz WLUWURDXUGMRRS-YVECIDJPSA-N 2 0 267.373 -0.049 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000424179040 295325356 /nfs/dbraw/zinc/32/53/56/295325356.db2.gz SFHXCYQEYXYVPW-WGBDABJCSA-N 2 0 280.372 -0.903 20 0 CBADRP O=C(C1C[NH2+]C1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000367810099 295454607 /nfs/dbraw/zinc/45/46/07/295454607.db2.gz MWTDJVHSKNSTOQ-RYUDHWBXSA-N 2 0 253.346 -0.737 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000343433903 297542497 /nfs/dbraw/zinc/54/24/97/297542497.db2.gz WFEFLROEXDKBAZ-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419425848 298556121 /nfs/dbraw/zinc/55/61/21/298556121.db2.gz PUZADXIRAZDZGU-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419425851 298556676 /nfs/dbraw/zinc/55/66/76/298556676.db2.gz PUZADXIRAZDZGU-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419429044 298556724 /nfs/dbraw/zinc/55/67/24/298556724.db2.gz UKVUQCZSIVXCKA-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)C[C@H]1[NH3+] ZINC000332357065 300095143 /nfs/dbraw/zinc/09/51/43/300095143.db2.gz WVHONLJPHSOCAB-NWDGAFQWSA-N 2 0 282.388 -0.654 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000575309730 335091852 /nfs/dbraw/zinc/09/18/52/335091852.db2.gz URJGHTQRNWSXCP-WDEREUQCSA-N 2 0 270.377 -0.512 20 0 CBADRP [NH3+]CCN(CCO)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000417717114 303380927 /nfs/dbraw/zinc/38/09/27/303380927.db2.gz VCGMSOFWUGQGGL-LBPRGKRZSA-N 2 0 284.404 -0.034 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424075520 303790327 /nfs/dbraw/zinc/79/03/27/303790327.db2.gz JLMIDQWNBLUGFW-QWRGUYRKSA-N 2 0 278.360 -0.316 20 0 CBADRP O=C(N[C@@H]1CCCC[NH2+]C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333664273 303837321 /nfs/dbraw/zinc/83/73/21/303837321.db2.gz MBYCRUTWULIOIB-ZIAGYGMSSA-N 2 0 295.431 -0.182 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1=O ZINC000570805011 327620542 /nfs/dbraw/zinc/62/05/42/327620542.db2.gz JAIHXVRPLLHYPI-YNEHKIRRSA-N 2 0 296.415 -0.360 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000562979081 327732746 /nfs/dbraw/zinc/73/27/46/327732746.db2.gz DNDZYSYCTCEBTD-STQMWFEESA-N 2 0 263.341 -0.037 20 0 CBADRP O=C(CCN1CC[NH2+]C[C@H]1C(F)F)N1CC[NH2+]CC1 ZINC000575312508 335092553 /nfs/dbraw/zinc/09/25/53/335092553.db2.gz UXAHZVHFKMYPTN-JTQLQIEISA-N 2 0 276.331 -0.653 20 0 CBADRP CC(C)(C[NH3+])NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000575312096 335092578 /nfs/dbraw/zinc/09/25/78/335092578.db2.gz CRFFVFWBNAWSOB-SECBINFHSA-N 2 0 256.350 -0.902 20 0 CBADRP C[C@H](C[NH2+]C[C@H](O)Cn1cccn1)CN1CC[NH+](C)CC1 ZINC000582116983 327877501 /nfs/dbraw/zinc/87/75/01/327877501.db2.gz ABLVFJQSJGQDEV-CABCVRRESA-N 2 0 295.431 -0.283 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000567817161 327901975 /nfs/dbraw/zinc/90/19/75/327901975.db2.gz UUTWASZUDMCZLK-WDEREUQCSA-N 2 0 253.346 -0.567 20 0 CBADRP CCC[NH2+]CCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000563109570 327925289 /nfs/dbraw/zinc/92/52/89/327925289.db2.gz ZMQAWCOLFHUTFW-UHFFFAOYSA-N 2 0 280.376 -0.068 20 0 CBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)c1cn(CCC[NH3+])nn1 ZINC000574981838 327943342 /nfs/dbraw/zinc/94/33/42/327943342.db2.gz SAEDBUSVWOOTJB-GFCCVEGCSA-N 2 0 268.365 -0.270 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000570966272 327967542 /nfs/dbraw/zinc/96/75/42/327967542.db2.gz RTVXPZXXKVJBJD-PWSUYJOCSA-N 2 0 270.377 -0.798 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CCN(C(C)(C)C(N)=O)CC1 ZINC000563351362 328057243 /nfs/dbraw/zinc/05/72/43/328057243.db2.gz ZMCOOAFFCZJCGM-GFCCVEGCSA-N 2 0 286.420 -0.820 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C[C@H]3CCC[NH2+]CC3)CCN2C1=O ZINC000567368009 328061138 /nfs/dbraw/zinc/06/11/38/328061138.db2.gz JGUWDOWHJSWXMG-RWMBFGLXSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563582947 328074810 /nfs/dbraw/zinc/07/48/10/328074810.db2.gz SBYSSMFYESNWIC-FZMZJTMJSA-N 2 0 282.388 -0.558 20 0 CBADRP O=C(C[NH2+]C1CC1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000563622606 328077888 /nfs/dbraw/zinc/07/78/88/328077888.db2.gz HLNAYBAPWKXUSP-LBPRGKRZSA-N 2 0 294.399 -0.591 20 0 CBADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000563639950 328079532 /nfs/dbraw/zinc/07/95/32/328079532.db2.gz LFOMYGDLSMCVNX-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000563660765 328082474 /nfs/dbraw/zinc/08/24/74/328082474.db2.gz VHCCMGFFDSEDBO-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[NH2+][C@@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1cnn(C)c1 ZINC000571080703 328084727 /nfs/dbraw/zinc/08/47/27/328084727.db2.gz CHASUNDZOKSMGA-JFGNBEQYSA-N 2 0 263.345 -0.642 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000571464366 328123674 /nfs/dbraw/zinc/12/36/74/328123674.db2.gz XCUYCGHQHIJBNB-QWRGUYRKSA-N 2 0 280.376 -0.161 20 0 CBADRP C[C@@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000584340475 328127858 /nfs/dbraw/zinc/12/78/58/328127858.db2.gz GEGHIJVUTWKNLL-WCQYABFASA-N 2 0 283.420 -0.247 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CCO1 ZINC000571523316 328131559 /nfs/dbraw/zinc/13/15/59/328131559.db2.gz VBDXWVURXUUGBN-UONOGXRCSA-N 2 0 297.399 -0.184 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000571526547 328131788 /nfs/dbraw/zinc/13/17/88/328131788.db2.gz IEYLCFVQLOLNKP-CHWSQXEVSA-N 2 0 268.405 -0.180 20 0 CBADRP COCCN(C)C[C@H](O)C[N@H+](CCO)C1CCOCC1 ZINC000571533372 328132304 /nfs/dbraw/zinc/13/23/04/328132304.db2.gz PETDVENLEDWUSV-AWEZNQCLSA-N 2 0 290.404 -0.601 20 0 CBADRP COC[C@@]1(CNC(=O)N[C@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000571537100 328133108 /nfs/dbraw/zinc/13/31/08/328133108.db2.gz BWTQWBMCIKWKJP-JQWIXIFHSA-N 2 0 256.350 -0.584 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(CC(=O)NC3CCCC3)CCN2C1=O ZINC000572857083 328138436 /nfs/dbraw/zinc/13/84/36/328138436.db2.gz MZDIEVDARWKGGB-VXGBXAGGSA-N 2 0 280.372 -0.711 20 0 CBADRP C[NH2+]CC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000582545802 329105266 /nfs/dbraw/zinc/10/52/66/329105266.db2.gz IMUCFHJUMSKTMN-AAEUAGOBSA-N 2 0 255.362 -0.049 20 0 CBADRP CCC[NH2+]CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000571640849 328162798 /nfs/dbraw/zinc/16/27/98/328162798.db2.gz UBYJJFILUZFFNY-NSHDSACASA-N 2 0 270.377 -0.640 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](C2CC2)CC1 ZINC000388780234 328303110 /nfs/dbraw/zinc/30/31/10/328303110.db2.gz MYOFVUYTYRGXRZ-CQSZACIVSA-N 2 0 271.405 -0.295 20 0 CBADRP C[C@H](C(=O)N1CC[NH2+][C@@H](C)[C@H]1C)N1CCN(C)CC1 ZINC000575315748 335092798 /nfs/dbraw/zinc/09/27/98/335092798.db2.gz BFYULEMUWXQBTK-YNEHKIRRSA-N 2 0 268.405 -0.169 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)nn1 ZINC000563804942 328519743 /nfs/dbraw/zinc/51/97/43/328519743.db2.gz COMCOTNCYAUMBQ-MNOVXSKESA-N 2 0 280.376 -0.126 20 0 CBADRP CCOC(=O)CNC(=O)C1CC[NH+](CCC[NH2+]C)CC1 ZINC000583995090 326835458 /nfs/dbraw/zinc/83/54/58/326835458.db2.gz CAHLECQJHQYQFG-UHFFFAOYSA-N 2 0 285.388 -0.013 20 0 CBADRP CC[NH+]1CCC(CNC(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000557140437 326994418 /nfs/dbraw/zinc/99/44/18/326994418.db2.gz IVAAPXYEEHDSRL-CQSZACIVSA-N 2 0 297.447 -0.079 20 0 CBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000557297285 327000564 /nfs/dbraw/zinc/00/05/64/327000564.db2.gz GVYUGVQDHKLDHN-UHFFFAOYSA-N 2 0 268.361 -0.983 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000557297411 327000795 /nfs/dbraw/zinc/00/07/95/327000795.db2.gz JYDPISBQVKBBOT-MNOVXSKESA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)[N@@H+]1CCC[C@H](C)C1 ZINC000557297412 327000861 /nfs/dbraw/zinc/00/08/61/327000861.db2.gz JYDPISBQVKBBOT-QWRGUYRKSA-N 2 0 282.388 -0.689 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000568877020 327021865 /nfs/dbraw/zinc/02/18/65/327021865.db2.gz MOLHPCAJKCFOTM-NWDGAFQWSA-N 2 0 283.372 -0.036 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)c1cnn(C)c1 ZINC000568878730 327022182 /nfs/dbraw/zinc/02/21/82/327022182.db2.gz ZRNVGCZMHSYZSA-RTXFEEFZSA-N 2 0 277.372 -0.109 20 0 CBADRP CO[C@](C)(C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C1CC1 ZINC000568993396 327027529 /nfs/dbraw/zinc/02/75/29/327027529.db2.gz LCDQQGYTCFNUMJ-HUUCEWRRSA-N 2 0 285.432 -0.001 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000569337650 327031339 /nfs/dbraw/zinc/03/13/39/327031339.db2.gz LXXBAGHVYAZGKU-YPMHNXCESA-N 2 0 253.346 -0.423 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000576582813 327035464 /nfs/dbraw/zinc/03/54/64/327035464.db2.gz HUAQWKRUPSUNHH-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000584171450 327056837 /nfs/dbraw/zinc/05/68/37/327056837.db2.gz ZNISAEAZUDFUMD-LLVKDONJSA-N 2 0 280.376 -0.302 20 0 CBADRP CCOCC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000569340273 327098524 /nfs/dbraw/zinc/09/85/24/327098524.db2.gz FMAUAOHBBDGXLY-QWHCGFSZSA-N 2 0 260.378 -0.180 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccccc1 ZINC000573104976 327095077 /nfs/dbraw/zinc/09/50/77/327095077.db2.gz WZPLWMZWQAOTJS-JHJVBQTASA-N 2 0 288.351 -0.543 20 0 CBADRP CCOCC[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000569340274 327098593 /nfs/dbraw/zinc/09/85/93/327098593.db2.gz FMAUAOHBBDGXLY-STQMWFEESA-N 2 0 260.378 -0.180 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000569344476 327102583 /nfs/dbraw/zinc/10/25/83/327102583.db2.gz NKEJSYXJZBKSRJ-WKSBVSIWSA-N 2 0 267.373 -0.038 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1([NH3+])CCC1 ZINC000564897792 327118405 /nfs/dbraw/zinc/11/84/05/327118405.db2.gz QDVIQECUDVTKTE-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H](NCCC(=O)N1CCN(C)CC1)c1ncn(C)n1 ZINC000558742998 327118919 /nfs/dbraw/zinc/11/89/19/327118919.db2.gz RJQHEQBTGUMMAB-LLVKDONJSA-N 2 0 280.376 -0.370 20 0 CBADRP C[C@@H]1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)C[C@@H]1C[NH3+] ZINC000566090598 327131975 /nfs/dbraw/zinc/13/19/75/327131975.db2.gz ALNSNGFZNGXRGR-OLZOCXBDSA-N 2 0 298.431 -0.160 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)COC3CC[NH2+]CC3)C[C@@H]12 ZINC000564931807 327161298 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C[C@H]1[NH2+]CCN(C(=O)COC2CC[NH2+]CC2)[C@H]1C ZINC000584293024 327224108 /nfs/dbraw/zinc/22/41/08/327224108.db2.gz SZLPDMDGDGPPSK-MNOVXSKESA-N 2 0 255.362 -0.036 20 0 CBADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000584299797 327229722 /nfs/dbraw/zinc/22/97/22/327229722.db2.gz VRMXRGGELIWTAR-MBNYWOFBSA-N 2 0 269.389 -0.054 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)COC3C[NH2+]C3)C[C@@H]21 ZINC000564950483 327256202 /nfs/dbraw/zinc/25/62/02/327256202.db2.gz FIEQQWAVOFIRPB-ADEWGFFLSA-N 2 0 253.346 -0.439 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000564991409 327343314 /nfs/dbraw/zinc/34/33/14/327343314.db2.gz TYAKHIBADQISDY-GVXVVHGQSA-N 2 0 284.404 -0.328 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000564992024 327344463 /nfs/dbraw/zinc/34/44/63/327344463.db2.gz DKFUDCVEJVARAG-NHCYSSNCSA-N 2 0 270.377 -0.718 20 0 CBADRP CC(C)(C)[NH2+]CCN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000578668888 327348924 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20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000569694528 327536466 /nfs/dbraw/zinc/53/64/66/327536466.db2.gz XSPVEIUCPSBZTB-JQWIXIFHSA-N 2 0 270.377 -0.717 20 0 CBADRP COC[C@@]1(CNC(=O)[C@H](C)C2C[NH2+]C2)CCC[NH2+]1 ZINC000569925858 327556425 /nfs/dbraw/zinc/55/64/25/327556425.db2.gz ADHSBQLIJQFBON-MFKMUULPSA-N 2 0 255.362 -0.273 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC(C)(C)CCC[NH3+] ZINC000570094280 327568494 /nfs/dbraw/zinc/56/84/94/327568494.db2.gz SAMIFAVAXQXAMT-NSHDSACASA-N 2 0 272.393 -0.280 20 0 CBADRP Cn1cc(CN(CC[NH+](C)C)CC[NH+](C)C)nn1 ZINC000570387135 327587862 /nfs/dbraw/zinc/58/78/62/327587862.db2.gz HXGGCHLWMCBXGW-UHFFFAOYSA-N 2 0 254.382 -0.260 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000570443620 327591270 /nfs/dbraw/zinc/59/12/70/327591270.db2.gz IDSJQORVAVNPDO-LBPRGKRZSA-N 2 0 266.389 -0.365 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCC[NH3+] ZINC000160354873 327606656 /nfs/dbraw/zinc/60/66/56/327606656.db2.gz NUISBJLCRBCTAP-CWSCBRNRSA-N 2 0 255.362 -0.016 20 0 CBADRP CC(C)[C@H](CO)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000570682877 327611017 /nfs/dbraw/zinc/61/10/17/327611017.db2.gz CKAQJVKUUCGUOB-UONOGXRCSA-N 2 0 273.421 -0.551 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582302443 328955245 /nfs/dbraw/zinc/95/52/45/328955245.db2.gz VKQXOPFREDDHKW-SWLSCSKDSA-N 2 0 294.399 -0.543 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582415108 328984194 /nfs/dbraw/zinc/98/41/94/328984194.db2.gz ABDYIEZKFDCHBU-GXTWGEPZSA-N 2 0 267.373 -0.033 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000583692413 329002804 /nfs/dbraw/zinc/00/28/04/329002804.db2.gz AJZJXGMHWBJIDE-QWHCGFSZSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@@H]1C[C@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)[C@H](C)O1 ZINC000582482142 329095700 /nfs/dbraw/zinc/09/57/00/329095700.db2.gz VUTVBBTUVHPZTO-BARDWOONSA-N 2 0 285.432 -0.002 20 0 CBADRP C[C@H](C[NH2+]CCC(=O)NC(N)=O)C[NH+]1CCCC1 ZINC000582541244 329108930 /nfs/dbraw/zinc/10/89/30/329108930.db2.gz DYACIUUDRPTANK-SNVBAGLBSA-N 2 0 256.350 -0.107 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000582605360 329115028 /nfs/dbraw/zinc/11/50/28/329115028.db2.gz TVNQJPYMYPSQIT-IUCAKERBSA-N 2 0 251.334 -0.189 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C[C@@H]1[NH3+] ZINC000582715867 329129595 /nfs/dbraw/zinc/12/95/95/329129595.db2.gz RGSABBIIHNKLOR-XZUYRWCXSA-N 2 0 294.399 -0.467 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C2([NH3+])CCC2)C1 ZINC000582723090 329130485 /nfs/dbraw/zinc/13/04/85/329130485.db2.gz XBZVVSXDTFZPBB-LLVKDONJSA-N 2 0 282.388 -0.429 20 0 CBADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000582724611 329131086 /nfs/dbraw/zinc/13/10/86/329131086.db2.gz HBUGULAAGRJNCV-NEPJUHHUSA-N 2 0 282.388 -0.558 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000582784706 329196356 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CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC(C)(C)CC[NH3+] ZINC000583754773 329473923 /nfs/dbraw/zinc/47/39/23/329473923.db2.gz SPZHUMPTUTUGCN-JTQLQIEISA-N 2 0 258.366 -0.671 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)CCC3CC[NH2+]CC3)CCN2C1=O ZINC000584480900 329500142 /nfs/dbraw/zinc/50/01/42/329500142.db2.gz SCPKJQDPUMXZRH-QWHCGFSZSA-N 2 0 294.399 -0.463 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000584530570 329514088 /nfs/dbraw/zinc/51/40/88/329514088.db2.gz AIHJCUXKPWEYRG-UWVGGRQHSA-N 2 0 257.334 -0.537 20 0 CBADRP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1(C[NH3+])CCC1 ZINC000584531097 329514430 /nfs/dbraw/zinc/51/44/30/329514430.db2.gz UMAYQJMVSZDCLW-SNVBAGLBSA-N 2 0 268.361 -0.806 20 0 CBADRP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1(C[NH3+])CCC1 ZINC000584531096 329514535 /nfs/dbraw/zinc/51/45/35/329514535.db2.gz UMAYQJMVSZDCLW-JTQLQIEISA-N 2 0 268.361 -0.806 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000583871001 329522799 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COC(=O)C[C@H](N)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000572519576 333115091 /nfs/dbraw/zinc/11/50/91/333115091.db2.gz NAAYVKYRQDACEA-YWVKMMECSA-N 2 0 269.345 -0.382 20 0 CBADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000572520488 333115174 /nfs/dbraw/zinc/11/51/74/333115174.db2.gz NDAMKWXBXGYQLG-ZIAGYGMSSA-N 2 0 299.415 -0.034 20 0 CBADRP C[N@@H+]1CCC[C@H](CC[NH2+]CCC(=O)NC(N)=O)C1 ZINC000575861744 335124880 /nfs/dbraw/zinc/12/48/80/335124880.db2.gz HNJRIEXIZTZHPE-SNVBAGLBSA-N 2 0 256.350 -0.107 20 0 CBADRP C[NH2+]C[C@H]1CC[N@H+](CCC(=O)N(C)CC(=O)OC)C1 ZINC000572523672 333185020 /nfs/dbraw/zinc/18/50/20/333185020.db2.gz JWEFFJUGFUMEHU-LLVKDONJSA-N 2 0 271.361 -0.451 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000576015628 335141809 /nfs/dbraw/zinc/14/18/09/335141809.db2.gz DPJGKNAGLPKHKB-WCQYABFASA-N 2 0 294.399 -0.593 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000576037985 335144171 /nfs/dbraw/zinc/14/41/71/335144171.db2.gz MFPWBQFIJHNDKS-OLZOCXBDSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000576037986 335144259 /nfs/dbraw/zinc/14/42/59/335144259.db2.gz MFPWBQFIJHNDKS-QWHCGFSZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000576108984 335155606 /nfs/dbraw/zinc/15/56/06/335155606.db2.gz HLVJOZYUDYGIPU-MCIONIFRSA-N 2 0 280.416 -0.119 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000576157916 335162025 /nfs/dbraw/zinc/16/20/25/335162025.db2.gz WGCLTCRECBHQRP-GHMZBOCLSA-N 2 0 271.361 -0.133 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000576226062 335173919 /nfs/dbraw/zinc/17/39/19/335173919.db2.gz NZRDNWLIMJPHFW-SRVKXCTJSA-N 2 0 292.387 -0.100 20 0 CBADRP C[C@H](C[NH3+])C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000564937814 334529290 /nfs/dbraw/zinc/52/92/90/334529290.db2.gz YYZZJTDFBWCFGR-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H]([NH3+])C1CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000564942390 334529657 /nfs/dbraw/zinc/52/96/57/334529657.db2.gz PTGRDZSJEBUEOB-SNVBAGLBSA-N 2 0 255.362 -0.049 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000564992809 334533052 /nfs/dbraw/zinc/53/30/52/334533052.db2.gz UKHSQKCWBWRAQF-WDEREUQCSA-N 2 0 271.361 -0.099 20 0 CBADRP C[NH+](C)CC1CCC(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000564993857 334533272 /nfs/dbraw/zinc/53/32/72/334533272.db2.gz ZHLAAGZHXAIQCN-IFWUJCSASA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000566189418 334634211 /nfs/dbraw/zinc/63/42/11/334634211.db2.gz IRFATLNZTKHFTM-YPMHNXCESA-N 2 0 266.389 -0.367 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)O1 ZINC000566189688 334634303 /nfs/dbraw/zinc/63/43/03/334634303.db2.gz QLCBLNMLWXXNSN-KKOKHZNYSA-N 2 0 253.346 -0.297 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC1CC[NH2+]CC1 ZINC000566202583 334635551 /nfs/dbraw/zinc/63/55/51/334635551.db2.gz KXRAZWGODBJKMD-GFCCVEGCSA-N 2 0 282.388 -0.640 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)CC[NH3+] ZINC000566206270 334635717 /nfs/dbraw/zinc/63/57/17/334635717.db2.gz TZBLSSWQPFYQKF-SNVBAGLBSA-N 2 0 256.350 -0.819 20 0 CBADRP [NH3+]CC[C@@H]1CCCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000566251204 334638995 /nfs/dbraw/zinc/63/89/95/334638995.db2.gz KSSWYQPGBCAQSF-NWDGAFQWSA-N 2 0 282.388 -0.416 20 0 CBADRP CCCN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])CC(=O)OC ZINC000566293711 334641168 /nfs/dbraw/zinc/64/11/68/334641168.db2.gz BNKOWTVCPJZCJI-JTQLQIEISA-N 2 0 259.350 -0.323 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000566854340 334667160 /nfs/dbraw/zinc/66/71/60/334667160.db2.gz IKIQBYSITWEWSV-VHSXEESVSA-N 2 0 256.350 -0.902 20 0 CBADRP [NH3+]C1(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CCC1 ZINC000567164559 334686604 /nfs/dbraw/zinc/68/66/04/334686604.db2.gz NBYMJRQPEOMQRR-SNVBAGLBSA-N 2 0 268.361 -0.758 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000567233931 334696101 /nfs/dbraw/zinc/69/61/01/334696101.db2.gz HKJIAJGKRBSOHS-RYUDHWBXSA-N 2 0 296.415 -0.251 20 0 CBADRP CCC[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[NH+](C)C ZINC000567292423 334701663 /nfs/dbraw/zinc/70/16/63/334701663.db2.gz PROVWMXYNMIUDF-QJPTWQEYSA-N 2 0 282.388 -0.513 20 0 CBADRP CN1CCN(C(=O)c2ccc(C[NH3+])cc2)[C@H](C[NH3+])C1 ZINC000567732142 334756536 /nfs/dbraw/zinc/75/65/36/334756536.db2.gz UPLNVFAHLPEIKY-CYBMUJFWSA-N 2 0 262.357 -0.140 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000567835491 334766520 /nfs/dbraw/zinc/76/65/20/334766520.db2.gz SFIFMERWESXEJL-WCQYABFASA-N 2 0 252.362 -0.993 20 0 CBADRP CC1CC[NH+](CCNC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000567869467 334769971 /nfs/dbraw/zinc/76/99/71/334769971.db2.gz NNJHTLNTZBHHCU-UHFFFAOYSA-N 2 0 297.447 -0.077 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000568395854 334822594 /nfs/dbraw/zinc/82/25/94/334822594.db2.gz AJVMCWJBGPQFTP-YPMHNXCESA-N 2 0 284.404 -0.408 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000569086754 334854449 /nfs/dbraw/zinc/85/44/49/334854449.db2.gz JRJYBFXKYPIZBA-FRRDWIJNSA-N 2 0 281.404 -0.574 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])nn1 ZINC000572833886 334882310 /nfs/dbraw/zinc/88/23/10/334882310.db2.gz QDARXWLETUWTFD-GHMZBOCLSA-N 2 0 280.376 -0.126 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000573099195 334908059 /nfs/dbraw/zinc/90/80/59/334908059.db2.gz RJBLMMHSJUXSKK-UHFFFAOYSA-N 2 0 272.393 -0.489 20 0 CBADRP O[C@@H](CNC[C@H](O)C[NH+]1CCCCC1)Cn1cccn1 ZINC000576346246 335192414 /nfs/dbraw/zinc/19/24/14/335192414.db2.gz HVQAGTOIWSJALJ-KBPBESRZSA-N 2 0 282.388 -0.320 20 0 CBADRP C[NH2+][C@@H](C)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000576360233 335194399 /nfs/dbraw/zinc/19/43/99/335194399.db2.gz NMFSGLMFSURCEA-RYUDHWBXSA-N 2 0 256.394 -0.406 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000576359438 335194640 /nfs/dbraw/zinc/19/46/40/335194640.db2.gz AZUGUBBFICACJQ-YNEHKIRRSA-N 2 0 294.399 -0.369 20 0 CBADRP CO[C@@H]1CCC[C@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000576391229 335197318 /nfs/dbraw/zinc/19/73/18/335197318.db2.gz QJLGAJRHQAYLPJ-RRFJBIMHSA-N 2 0 285.432 -0.001 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000576581840 335221802 /nfs/dbraw/zinc/22/18/02/335221802.db2.gz RJWRYSHZLCEFRZ-MNOVXSKESA-N 2 0 270.377 -0.845 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@@H]1[NH+](C)C ZINC000576744122 335242027 /nfs/dbraw/zinc/24/20/27/335242027.db2.gz XTSQKKIOBZUUII-RNJOBUHISA-N 2 0 294.399 -0.785 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1[NH+](C)C ZINC000576744117 335242097 /nfs/dbraw/zinc/24/20/97/335242097.db2.gz XTSQKKIOBZUUII-FVCCEPFGSA-N 2 0 294.399 -0.785 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)CN1C1CC1 ZINC000576814614 335250376 /nfs/dbraw/zinc/25/03/76/335250376.db2.gz DUJKWXOXRGZBIB-NWDGAFQWSA-N 2 0 266.389 -0.367 20 0 CBADRP O=C([C@H]1CCC[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000576941052 335266951 /nfs/dbraw/zinc/26/69/51/335266951.db2.gz SOLCGZFAYWOZRP-NWDGAFQWSA-N 2 0 252.362 -0.756 20 0 CBADRP O=C([C@H]1CCC[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000576941054 335266981 /nfs/dbraw/zinc/26/69/81/335266981.db2.gz SOLCGZFAYWOZRP-VXGBXAGGSA-N 2 0 252.362 -0.756 20 0 CBADRP C[NH2+]C[C@@](C)(O)CN1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000576999359 335275846 /nfs/dbraw/zinc/27/58/46/335275846.db2.gz WDCSSRUBPVJAHR-GXFFZTMASA-N 2 0 297.359 -0.718 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)CN2CCNCC2=O)CC[N@@H+]1C ZINC000580560469 335280924 /nfs/dbraw/zinc/28/09/24/335280924.db2.gz HIYIAFSDOMRKRS-QWRGUYRKSA-N 2 0 268.361 -0.983 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC[NH2+]1 ZINC000580561844 335281831 /nfs/dbraw/zinc/28/18/31/335281831.db2.gz ZSPVVPKYYAQMDM-SRVKXCTJSA-N 2 0 254.378 -0.524 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000580571911 335285774 /nfs/dbraw/zinc/28/57/74/335285774.db2.gz IOGBNDKGPKOADK-ZDUSSCGKSA-N 2 0 283.420 -0.325 20 0 CBADRP C[C@H]1CN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@@H]1N1CCOCC1 ZINC000577066106 335294442 /nfs/dbraw/zinc/29/44/42/335294442.db2.gz JKKGUEAJZMBQEP-XFMPKHEZSA-N 2 0 279.384 -0.083 20 0 CBADRP CCNC(=O)CN1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000577066768 335294788 /nfs/dbraw/zinc/29/47/88/335294788.db2.gz NFENZWHJOCRCPJ-CYBMUJFWSA-N 2 0 268.405 -0.260 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000581070734 335295488 /nfs/dbraw/zinc/29/54/88/335295488.db2.gz BFRIYWCXSFLJRC-QWRGUYRKSA-N 2 0 270.377 -0.573 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@H]1CCC[NH2+]C1 ZINC000577106571 335300140 /nfs/dbraw/zinc/30/01/40/335300140.db2.gz NOKSQDAYZJLLQF-YFKTTZPYSA-N 2 0 255.362 -0.003 20 0 CBADRP O=C(CC1CC[NH2+]CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000577175777 335315875 /nfs/dbraw/zinc/31/58/75/335315875.db2.gz INUPXIYRVNQSSD-CQSZACIVSA-N 2 0 280.416 -0.118 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000577176337 335316381 /nfs/dbraw/zinc/31/63/81/335316381.db2.gz MJWAIYVULUUPEV-MNOVXSKESA-N 2 0 278.360 -0.488 20 0 CBADRP CC(C)[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[NH+](C)C ZINC000577232146 335327785 /nfs/dbraw/zinc/32/77/85/335327785.db2.gz XBTOBGWYDVHWFG-IJLUTSLNSA-N 2 0 282.388 -0.657 20 0 CBADRP COC[C@@]1(CNC(=O)CCOC2C[NH2+]C2)CCC[NH2+]1 ZINC000577385266 335346021 /nfs/dbraw/zinc/34/60/21/335346021.db2.gz IPRDHCZXHDBFGO-ZDUSSCGKSA-N 2 0 271.361 -0.750 20 0 CBADRP [NH3+]CCN(CCc1ccccc1)C(=O)CNC(=O)C[NH3+] ZINC000577394006 335347538 /nfs/dbraw/zinc/34/75/38/335347538.db2.gz KBPMDGYFJVRUPN-UHFFFAOYSA-N 2 0 278.356 -0.909 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000577487966 335357693 /nfs/dbraw/zinc/35/76/93/335357693.db2.gz LRTQECYGBDGJMK-ZDUSSCGKSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000577530752 335365879 /nfs/dbraw/zinc/36/58/79/335365879.db2.gz NVBZGQYHTLILFR-SDDRHHMPSA-N 2 0 296.415 -0.219 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000577608468 335377590 /nfs/dbraw/zinc/37/75/90/335377590.db2.gz OMKIPTKMVKOLEF-FRRDWIJNSA-N 2 0 267.373 -0.131 20 0 CBADRP C[N@H+](C[C@H](O)CN[C@@H]1C[C@H](O)[C@@H]1n1cccn1)C1CC1 ZINC000577729842 335393325 /nfs/dbraw/zinc/39/33/25/335393325.db2.gz DBJOTZTYGULQAT-YIYPIFLZSA-N 2 0 280.372 -0.398 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000577769359 335399938 /nfs/dbraw/zinc/39/99/38/335399938.db2.gz IYKNCRJSSRIECA-STQMWFEESA-N 2 0 282.388 -0.288 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@]2(C)CCCO2)CC1 ZINC000577859842 335412641 /nfs/dbraw/zinc/41/26/41/335412641.db2.gz JNYKQRSIYZQANK-ZIAGYGMSSA-N 2 0 271.405 -0.247 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)O1 ZINC000577952060 335436470 /nfs/dbraw/zinc/43/64/70/335436470.db2.gz NVFIOJCZLVNDEG-XQHKEYJVSA-N 2 0 267.373 -0.003 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)C1(C[NH3+])CCC1 ZINC000578194111 335552533 /nfs/dbraw/zinc/55/25/33/335552533.db2.gz KMEGZKFWUQZWFS-NSHDSACASA-N 2 0 270.377 -0.574 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000578768235 335672998 /nfs/dbraw/zinc/67/29/98/335672998.db2.gz PCGANMCJTUBJLG-SDDRHHMPSA-N 2 0 255.362 -0.001 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000578887218 335685970 /nfs/dbraw/zinc/68/59/70/335685970.db2.gz OHRCSVNTSLCVPR-QWHCGFSZSA-N 2 0 287.404 -0.441 20 0 CBADRP C[NH2+][C@H](C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)c1cnn(C)c1 ZINC000578890076 335686228 /nfs/dbraw/zinc/68/62/28/335686228.db2.gz DUUGGZUUAZKNBA-FOGDFJRCSA-N 2 0 265.361 -0.124 20 0 CBADRP [NH3+]C[C@@H](C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000578986649 335696123 /nfs/dbraw/zinc/69/61/23/335696123.db2.gz MEWBAZQXTXUKQN-QWHCGFSZSA-N 2 0 263.341 -0.085 20 0 CBADRP COC[C@]1(CNC(=O)C[NH2+]C[C@H]2CCCO2)CCC[NH2+]1 ZINC000579464297 335764072 /nfs/dbraw/zinc/76/40/72/335764072.db2.gz JWPXDCTUVFLONC-TZMCWYRMSA-N 2 0 285.388 -0.360 20 0 CBADRP CC(C)(C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[NH2+]CC1 ZINC000580714010 335959159 /nfs/dbraw/zinc/95/91/59/335959159.db2.gz HEODZYPJKMYOQR-URLYPYJESA-N 2 0 252.362 -0.996 20 0 CBADRP CO[C@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)[C@H](C[NH3+])C1 ZINC000580946827 335987560 /nfs/dbraw/zinc/98/75/60/335987560.db2.gz BPHKXVNOGCTSFX-NOOOWODRSA-N 2 0 255.362 -0.193 20 0 CBADRP CC[NH2+]CCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000581249622 336031791 /nfs/dbraw/zinc/03/17/91/336031791.db2.gz ANTPBHZJLCLTHD-SECBINFHSA-N 2 0 251.334 -0.174 20 0 CBADRP [NH3+]CCc1nc(C(=O)NCCCN2CC[NH2+]CC2)cs1 ZINC000194758061 336038438 /nfs/dbraw/zinc/03/84/38/336038438.db2.gz QAGDCEFEVOLNFK-UHFFFAOYSA-N 2 0 297.428 -0.331 20 0 CBADRP C[C@@]([NH3+])(C(=O)NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000195231587 336049874 /nfs/dbraw/zinc/04/98/74/336049874.db2.gz OKPMOBXPIGLRJC-HNNXBMFYSA-N 2 0 276.384 -0.118 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000581372435 336063458 /nfs/dbraw/zinc/06/34/58/336063458.db2.gz HWEJHKHPTGSZAV-VXGBXAGGSA-N 2 0 256.394 -0.134 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000581499886 336090781 /nfs/dbraw/zinc/09/07/81/336090781.db2.gz VWJWBZFHNZQZFX-IJLUTSLNSA-N 2 0 252.362 -0.770 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000581667504 336125374 /nfs/dbraw/zinc/12/53/74/336125374.db2.gz CKGVSMZOUSKEBO-MNOVXSKESA-N 2 0 265.361 -0.186 20 0 CBADRP CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000581822984 336147320 /nfs/dbraw/zinc/14/73/20/336147320.db2.gz AUMGVWLRMGBAEN-MNOVXSKESA-N 2 0 268.361 -0.935 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000581822957 336147467 /nfs/dbraw/zinc/14/74/67/336147467.db2.gz YZSCHHKQZJYDIU-IHRRRGAJSA-N 2 0 280.416 -0.119 20 0 CBADRP CC[NH2+]CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000581823261 336147502 /nfs/dbraw/zinc/14/75/02/336147502.db2.gz VNUQIPOZXMTKGP-JTQLQIEISA-N 2 0 266.349 -0.631 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000581882783 336158722 /nfs/dbraw/zinc/15/87/22/336158722.db2.gz NXSFUJTXHIOCKP-SMDDNHRTSA-N 2 0 280.372 -0.933 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000581883712 336159225 /nfs/dbraw/zinc/15/92/25/336159225.db2.gz VQMNSSKRGDJPBA-WOPDTQHZSA-N 2 0 292.387 -0.242 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000581939039 336172806 /nfs/dbraw/zinc/17/28/06/336172806.db2.gz IBABEAQPGQEEDI-OLZOCXBDSA-N 2 0 259.394 -0.533 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000581941562 336173465 /nfs/dbraw/zinc/17/34/65/336173465.db2.gz QVLMMZAENITPPY-PWSUYJOCSA-N 2 0 282.388 -0.417 20 0 CBADRP COCC[N@H+](C)CCNC[C@@H](O)C[NH+]1CCCC1 ZINC000061378602 523603448 /nfs/dbraw/zinc/60/34/48/523603448.db2.gz CAXOWLXSIJUSDF-CYBMUJFWSA-N 2 0 259.394 -0.389 20 0 CBADRP C[NH+]1CCC(CCNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000157229727 523759334 /nfs/dbraw/zinc/75/93/34/523759334.db2.gz JENAKCVGYGQAMB-LBPRGKRZSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+]1CCC(CCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000157225046 523759424 /nfs/dbraw/zinc/75/94/24/523759424.db2.gz GVRMKCNEYQZHAA-VXGBXAGGSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C[C@@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC000157875601 525423058 /nfs/dbraw/zinc/42/30/58/525423058.db2.gz IKYZRJADBFIRLE-IJLUTSLNSA-N 2 0 255.362 -0.036 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@H](C)C[NH3+])CC1 ZINC000357237259 535696718 /nfs/dbraw/zinc/69/67/18/535696718.db2.gz GXVRUMABJOXGJR-GFCCVEGCSA-N 2 0 256.394 -0.275 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)CCCC[NH+](C)[C@@H](C)C(N)=O ZINC000118401455 582117276 /nfs/dbraw/zinc/11/72/76/582117276.db2.gz PETZVIUIXWLHPV-AOOOYVTPSA-N 2 0 258.366 -0.622 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000128975144 582122838 /nfs/dbraw/zinc/12/28/38/582122838.db2.gz VUEVZLIZBRUTGQ-VXGBXAGGSA-N 2 0 267.373 -0.035 20 0 CBADRP COCC[N@H+](C)CCNC(=O)C1(COC)CC[NH2+]CC1 ZINC000234620234 582130109 /nfs/dbraw/zinc/13/01/09/582130109.db2.gz VKIRBCGSHPJVJU-UHFFFAOYSA-N 2 0 287.404 -0.303 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=S)NCC[NH+](C)C)C1 ZINC000730733252 582151212 /nfs/dbraw/zinc/15/12/12/582151212.db2.gz IUAMQSXYPWFVRT-NSHDSACASA-N 2 0 274.434 -0.267 20 0 CBADRP O=C1C[NH+](CCCC[N@@H+]2CCCNC(=O)C2)CCCN1 ZINC000740875664 582265470 /nfs/dbraw/zinc/26/54/70/582265470.db2.gz CKPNMEFDYDDLSQ-UHFFFAOYSA-N 2 0 282.388 -0.590 20 0 CBADRP CC[C@H](CO)[NH+]1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000743859806 582278401 /nfs/dbraw/zinc/27/84/01/582278401.db2.gz JMNUXJRXAYHJAU-HUUCEWRRSA-N 2 0 285.432 -0.168 20 0 CBADRP CC[C@H](CO)[NH+]1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000743859800 582278405 /nfs/dbraw/zinc/27/84/05/582278405.db2.gz JMNUXJRXAYHJAU-CABCVRRESA-N 2 0 285.432 -0.168 20 0 CBADRP C[NH+](C)C1(C(=O)NCCN2CC[NH+](C)CC2)CCC1 ZINC000763025579 582318946 /nfs/dbraw/zinc/31/89/46/582318946.db2.gz QCQQPIFZJSXACF-UHFFFAOYSA-N 2 0 268.405 -0.166 20 0 CBADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000767180524 582331886 /nfs/dbraw/zinc/33/18/86/582331886.db2.gz WYEQQOGDUYADDD-GFCCVEGCSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@@H](CCO)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000779343814 582360954 /nfs/dbraw/zinc/36/09/54/582360954.db2.gz BPSGNNLOVNDLNJ-RYUDHWBXSA-N 2 0 257.378 -0.066 20 0 CBADRP O=C1C[C@]2(CC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C2)CN1 ZINC000789355424 582388225 /nfs/dbraw/zinc/38/82/25/582388225.db2.gz RQNYQFXZWXMSPQ-GXTWGEPZSA-N 2 0 267.373 -0.345 20 0 CBADRP NC(=O)C[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000808775175 582444568 /nfs/dbraw/zinc/44/45/68/582444568.db2.gz PUUYEZCTRKBESY-NEPJUHHUSA-N 2 0 255.362 -0.360 20 0 CBADRP CN(CCC[N@H+](C)[C@@H]1CCC(=O)NC1=O)CC[NH+](C)C ZINC000808781764 582444595 /nfs/dbraw/zinc/44/45/95/582444595.db2.gz OYNVIZIXHYOEMB-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@@H](C[NH3+])C(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000818583284 582512223 /nfs/dbraw/zinc/51/22/23/582512223.db2.gz QCVJBULRWJUUGD-VIFPVBQESA-N 2 0 264.329 -0.092 20 0 CBADRP [NH3+]CCNC(=O)c1ccccc1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000818582575 582512257 /nfs/dbraw/zinc/51/22/57/582512257.db2.gz HLNORBPNTHVENP-ZJUUUORDSA-N 2 0 262.313 -0.339 20 0 CBADRP COC[C@@]1(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC[NH2+]C1 ZINC000818612799 582513008 /nfs/dbraw/zinc/51/30/08/582513008.db2.gz YJGGMHQYCREHEO-KGLIPLIRSA-N 2 0 267.373 -0.033 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C[C@H](O)C2CC2)C1 ZINC000819004020 582524794 /nfs/dbraw/zinc/52/47/94/582524794.db2.gz JOLWILOZCLXSOD-OLZOCXBDSA-N 2 0 269.389 -0.066 20 0 CBADRP CC(CNC(=O)[C@H](C)[NH+](C)C)CNC(=O)[C@H](C)[NH+](C)C ZINC000819144135 582527854 /nfs/dbraw/zinc/52/78/54/582527854.db2.gz AWGDZLADVIDSED-RYUDHWBXSA-N 2 0 286.420 -0.245 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000822933318 582653259 /nfs/dbraw/zinc/65/32/59/582653259.db2.gz DFPCRHYJEANQIW-OLZOCXBDSA-N 2 0 267.373 -0.250 20 0 CBADRP C[NH+](C)CCN1CCN(C(=O)C[NH+]2CCCC2)CC1=O ZINC000824174839 582689777 /nfs/dbraw/zinc/68/97/77/582689777.db2.gz GFWRNSYCVLAZTN-UHFFFAOYSA-N 2 0 282.388 -0.685 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)CCCCCC[NH3+] ZINC000825628283 582742901 /nfs/dbraw/zinc/74/29/01/582742901.db2.gz XWMQZATWKLHBOS-UHFFFAOYSA-N 2 0 284.404 -0.214 20 0 CBADRP CC(C)(C)[NH2+]CCC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000827528018 582820571 /nfs/dbraw/zinc/82/05/71/582820571.db2.gz DVGBVUXMONTJIF-LLVKDONJSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)[C@@H](C)C[NH2+]1 ZINC000831539948 582985203 /nfs/dbraw/zinc/98/52/03/582985203.db2.gz BTUWFXDYWFLCJC-BDAKNGLRSA-N 2 0 263.345 -0.122 20 0 CBADRP [NH3+][C@@H](CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)C1CC1 ZINC000831644568 582992002 /nfs/dbraw/zinc/99/20/02/582992002.db2.gz YWBHKXZAQDVETJ-OLZOCXBDSA-N 2 0 266.389 -0.380 20 0 CBADRP O=C(NC[C@@H]1CCCC[NH2+]1)c1[nH]nc2c1C[NH2+]CC2 ZINC000832458364 583026219 /nfs/dbraw/zinc/02/62/19/583026219.db2.gz DUGJLRJWKQOXDK-VIFPVBQESA-N 2 0 263.345 -0.073 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CCC2(C1)CC[NH2+]CC2 ZINC000834447963 583123400 /nfs/dbraw/zinc/12/34/00/583123400.db2.gz GZSLAPLJEZKUMC-LBPRGKRZSA-N 2 0 267.373 -0.033 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000834673639 583134995 /nfs/dbraw/zinc/13/49/95/583134995.db2.gz SVJMRQIWGAHRQA-QWHCGFSZSA-N 2 0 296.415 -0.040 20 0 CBADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CC(=O)N(CCCO)C1=O ZINC000840741500 583167323 /nfs/dbraw/zinc/16/73/23/583167323.db2.gz NMTDZGSWGMUKAE-CYBMUJFWSA-N 2 0 297.399 -0.230 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@@H]1CCC[NH2+]C1 ZINC000841790757 583174614 /nfs/dbraw/zinc/17/46/14/583174614.db2.gz JDIBMNFFJJBZMD-FRRDWIJNSA-N 2 0 282.388 -0.099 20 0 CBADRP COC[C@@]1(CNC(=O)[C@]2(F)CC[NH2+]C2)CCC[NH2+]1 ZINC000841851432 583175227 /nfs/dbraw/zinc/17/52/27/583175227.db2.gz QBONKVVVIUSAIA-RYUDHWBXSA-N 2 0 259.325 -0.427 20 0 CBADRP COC[C@]1(CNC(=O)[C@]2(F)CC[NH2+]C2)CCC[NH2+]1 ZINC000841851428 583175384 /nfs/dbraw/zinc/17/53/84/583175384.db2.gz QBONKVVVIUSAIA-NEPJUHHUSA-N 2 0 259.325 -0.427 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[NH+]1CCCCC1 ZINC000842014238 583177616 /nfs/dbraw/zinc/17/76/16/583177616.db2.gz ATQAXNBRRXCODT-DGCLKSJQSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000842014849 583177731 /nfs/dbraw/zinc/17/77/31/583177731.db2.gz FOCLVVCMZYALAV-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000842014298 583177871 /nfs/dbraw/zinc/17/78/71/583177871.db2.gz BUWQELYUHKIDIL-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000842016013 583178050 /nfs/dbraw/zinc/17/80/50/583178050.db2.gz QJPBRJLJKXQPBY-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000842016038 583178272 /nfs/dbraw/zinc/17/82/72/583178272.db2.gz QUBCLSDYRMQXHQ-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842512266 583184541 /nfs/dbraw/zinc/18/45/41/583184541.db2.gz JEYZBQLTYYWOMO-SWLSCSKDSA-N 2 0 294.399 -0.401 20 0 CBADRP CC(C)C[C@H](O)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000843067949 583199421 /nfs/dbraw/zinc/19/94/21/583199421.db2.gz CYJDPXSTHPBLGB-KBPBESRZSA-N 2 0 273.421 -0.409 20 0 CBADRP CC(C)C[C@H](O)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000843067982 583199479 /nfs/dbraw/zinc/19/94/79/583199479.db2.gz CYJDPXSTHPBLGB-UONOGXRCSA-N 2 0 273.421 -0.409 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000843320870 583208613 /nfs/dbraw/zinc/20/86/13/583208613.db2.gz UQAUZWBUCDEXHU-RYUDHWBXSA-N 2 0 255.362 -0.048 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)NCC[C@@H]1CC[NH2+]C1 ZINC000843338016 583210059 /nfs/dbraw/zinc/21/00/59/583210059.db2.gz DKLIVUVXCSQFSD-NWDGAFQWSA-N 2 0 255.362 -0.129 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000843339245 583210531 /nfs/dbraw/zinc/21/05/31/583210531.db2.gz YSUGMNMGRFVSBN-LBPRGKRZSA-N 2 0 258.341 -0.948 20 0 CBADRP C[N@H+](CC(=O)NCC(=O)N1CCCC1)C1CCC([NH3+])CC1 ZINC000843355422 583211945 /nfs/dbraw/zinc/21/19/45/583211945.db2.gz OANNKOCKKJZSNU-UHFFFAOYSA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843355310 583212080 /nfs/dbraw/zinc/21/20/80/583212080.db2.gz QULHKOVWGFIWBC-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]CCNC(=O)c1ccccc1NC(=O)COCC[NH3+] ZINC000843471928 583224484 /nfs/dbraw/zinc/22/44/84/583224484.db2.gz QKWXIISECRPVDS-UHFFFAOYSA-N 2 0 280.328 -0.711 20 0 CBADRP [NH3+]CCNC(=O)c1ccccc1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000843471371 583224488 /nfs/dbraw/zinc/22/44/88/583224488.db2.gz FHOLDCLASFLZSN-LBPRGKRZSA-N 2 0 292.339 -0.698 20 0 CBADRP COCC[NH2+]CC(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000843472065 583224537 /nfs/dbraw/zinc/22/45/37/583224537.db2.gz SKYKEDUNZAGBES-UHFFFAOYSA-N 2 0 294.355 -0.450 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CCCCC[NH3+] ZINC000843479366 583225970 /nfs/dbraw/zinc/22/59/70/583225970.db2.gz SEBHCAWDJGPFIR-LLVKDONJSA-N 2 0 271.361 -0.131 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000843482084 583226694 /nfs/dbraw/zinc/22/66/94/583226694.db2.gz CUWBUKRWHHNJME-JHJVBQTASA-N 2 0 267.373 -0.035 20 0 CBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000843482890 583226861 /nfs/dbraw/zinc/22/68/61/583226861.db2.gz AHNZJSQMBPHRQE-SNVBAGLBSA-N 2 0 263.345 -0.074 20 0 CBADRP [NH3+]CCCCCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000843511366 583231861 /nfs/dbraw/zinc/23/18/61/583231861.db2.gz AKFCFHJJEXWBQD-GFCCVEGCSA-N 2 0 284.404 -0.120 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000843504881 583231982 /nfs/dbraw/zinc/23/19/82/583231982.db2.gz CXVYXOXOAGBSLJ-HTQZYQBOSA-N 2 0 251.334 -0.089 20 0 CBADRP C[NH+]1CCC(NC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844166873 583255686 /nfs/dbraw/zinc/25/56/86/583255686.db2.gz UPMQHMHWNQQQGK-LBPRGKRZSA-N 2 0 255.362 -0.035 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844174690 583256735 /nfs/dbraw/zinc/25/67/35/583256735.db2.gz AMTNIZCJSMDNGK-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844174689 583256879 /nfs/dbraw/zinc/25/68/79/583256879.db2.gz AMTNIZCJSMDNGK-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844174876 583257345 /nfs/dbraw/zinc/25/73/45/583257345.db2.gz HBLKCPZDLDESBX-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000844178950 583257895 /nfs/dbraw/zinc/25/78/95/583257895.db2.gz AGZJGEMWSOVBBN-LBELIVKGSA-N 2 0 265.357 -0.284 20 0 CBADRP CC[NH2+]CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000844180430 583258358 /nfs/dbraw/zinc/25/83/58/583258358.db2.gz DOLMTBZCMJAWCP-UHFFFAOYSA-N 2 0 282.388 -0.638 20 0 CBADRP CC[NH2+]CC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000844180649 583258449 /nfs/dbraw/zinc/25/84/49/583258449.db2.gz JEGNELUMXMJNRN-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844191308 583260091 /nfs/dbraw/zinc/26/00/91/583260091.db2.gz LHEVAITWJVOEOB-AWEZNQCLSA-N 2 0 298.431 -0.491 20 0 CBADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000844920855 583285027 /nfs/dbraw/zinc/28/50/27/583285027.db2.gz NPOVBMKJSQGPOZ-QWRGUYRKSA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846674475 583382154 /nfs/dbraw/zinc/38/21/54/583382154.db2.gz YZBMLYSFEJYXCR-JLNYLFASSA-N 2 0 295.383 -0.798 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@H](C)[NH2+]C2CC2)C[C@H]1C[NH3+] ZINC000846694982 583384038 /nfs/dbraw/zinc/38/40/38/583384038.db2.gz GTNWWMYKCJXWJI-HOSYDEDBSA-N 2 0 255.362 -0.051 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000846695224 583384307 /nfs/dbraw/zinc/38/43/07/583384307.db2.gz URGASNRGTVKZIE-FOGDFJRCSA-N 2 0 259.325 -0.490 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846718146 583386020 /nfs/dbraw/zinc/38/60/20/583386020.db2.gz SVXKQVCYUFPBKA-DYEKYZERSA-N 2 0 267.373 -0.177 20 0 CBADRP [NH3+]CCN(CCO)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848605193 583451918 /nfs/dbraw/zinc/45/19/18/583451918.db2.gz KIXVFYYLJCYBGV-CHWSQXEVSA-N 2 0 284.404 -0.034 20 0 CBADRP [NH3+]CCN(CCO)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848605195 583451922 /nfs/dbraw/zinc/45/19/22/583451922.db2.gz KIXVFYYLJCYBGV-QWHCGFSZSA-N 2 0 284.404 -0.034 20 0 CBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[NH2+]C)CC1 ZINC000848637660 583453219 /nfs/dbraw/zinc/45/32/19/583453219.db2.gz VFRIURANIDRBAK-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(C)=O ZINC000848981199 583463778 /nfs/dbraw/zinc/46/37/78/583463778.db2.gz AEMINMMTFFFPCO-LLVKDONJSA-N 2 0 255.366 -0.279 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOCCO ZINC000848981000 583463791 /nfs/dbraw/zinc/46/37/91/583463791.db2.gz SFFKZFKULAZGOO-LLVKDONJSA-N 2 0 258.366 -0.406 20 0 CBADRP C[C@@H]1C[NH+]=C(NCC(C)(C)N2CC[NH+](C)CC2)N1 ZINC000848984001 583463988 /nfs/dbraw/zinc/46/39/88/583463988.db2.gz CBUQOWXWASHOMW-LLVKDONJSA-N 2 0 253.394 -0.050 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)NC ZINC000848993500 583465034 /nfs/dbraw/zinc/46/50/34/583465034.db2.gz AQOOGZUEEGEHLU-SNVBAGLBSA-N 2 0 255.366 -0.279 20 0 CBADRP C[C@@H]1CN(C(=[NH2+])NCCN2CCC[N@H+](C)CC2)CCO1 ZINC000848994162 583465359 /nfs/dbraw/zinc/46/53/59/583465359.db2.gz ZSWMLCGRAFBEBB-CYBMUJFWSA-N 2 0 283.420 -0.131 20 0 CBADRP COC[C@H](C)NC(=[NH2+])NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000849000523 583466438 /nfs/dbraw/zinc/46/64/38/583466438.db2.gz YWNMZYPRHUJWMW-NWDGAFQWSA-N 2 0 299.419 -0.277 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1C[NH+](C)CCN1C ZINC000849008012 583467359 /nfs/dbraw/zinc/46/73/59/583467359.db2.gz LRJZGMOZWLQRMF-KBPBESRZSA-N 3 0 296.463 -0.170 20 0 CBADRP CCOCCCNC(=[NH2+])NC[C@H]1C[N@H+](C)CCN1C ZINC000849007978 583467530 /nfs/dbraw/zinc/46/75/30/583467530.db2.gz JRAFIHMFPCQIGL-LBPRGKRZSA-N 2 0 271.409 -0.227 20 0 CBADRP COCCNC(=[NH2+])NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000849026463 583469233 /nfs/dbraw/zinc/46/92/33/583469233.db2.gz CGBYZXKZFZDJDD-UHFFFAOYSA-N 2 0 271.409 -0.227 20 0 CBADRP CN(C)C(=[NH2+])NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000849041698 583471563 /nfs/dbraw/zinc/47/15/63/583471563.db2.gz KTFPRXMWOZLGJF-UHFFFAOYSA-N 2 0 283.420 -0.131 20 0 CBADRP CN(CCC[NH3+])Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000849133272 583472182 /nfs/dbraw/zinc/47/21/82/583472182.db2.gz LIOVWQZIBSFASJ-LLVKDONJSA-N 2 0 252.366 -0.017 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@H]1CC[NH2+]C1 ZINC000851655926 583518019 /nfs/dbraw/zinc/51/80/19/583518019.db2.gz CRAMTENYEWFRCZ-SDDRHHMPSA-N 2 0 268.361 -0.489 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852793189 583552738 /nfs/dbraw/zinc/55/27/38/583552738.db2.gz UDQXKYXPGQPAPZ-ATZCPNFKSA-N 2 0 254.334 -0.182 20 0 CBADRP CCCN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@H]1CC[NH2+]C1 ZINC000852796744 583552995 /nfs/dbraw/zinc/55/29/95/583552995.db2.gz WZEDJQZTMXIAMJ-UWVGGRQHSA-N 2 0 254.334 -0.310 20 0 CBADRP C[C@@H]([NH3+])C1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852795868 583552999 /nfs/dbraw/zinc/55/29/99/583552999.db2.gz KCPXOZKHURIVHL-PSASIEDQSA-N 2 0 254.334 -0.324 20 0 CBADRP C[C@@H]([NH3+])C1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852795869 583553003 /nfs/dbraw/zinc/55/30/03/583553003.db2.gz KCPXOZKHURIVHL-SCZZXKLOSA-N 2 0 254.334 -0.324 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@H]([NH3+])c2ccccc2)=NO1 ZINC000852795188 583553014 /nfs/dbraw/zinc/55/30/14/583553014.db2.gz GEGGCZMAAAXSLP-QWRGUYRKSA-N 2 0 262.313 -0.094 20 0 CBADRP C[C@@H]1CCCN(C(=O)C2=NO[C@H](C[NH3+])C2)[C@@H]1C[NH3+] ZINC000852798184 583553246 /nfs/dbraw/zinc/55/32/46/583553246.db2.gz HIJOMHOUSOWYEQ-WCABBAIRSA-N 2 0 254.334 -0.324 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)C[C@@H](C)[NH2+]1 ZINC000852824685 583556565 /nfs/dbraw/zinc/55/65/65/583556565.db2.gz DWVJZXZTNPBJRH-UTUOFQBUSA-N 2 0 267.373 -0.036 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC000852825029 583556584 /nfs/dbraw/zinc/55/65/84/583556584.db2.gz ILDVAGJHOJZTON-RYUDHWBXSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1[NH2+]CC12CCCC2 ZINC000852824945 583556596 /nfs/dbraw/zinc/55/65/96/583556596.db2.gz CZTQDEOYJUYOLR-ZDUSSCGKSA-N 2 0 280.416 -0.070 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1[NH2+]CC12CCOCC2 ZINC000852825570 583556899 /nfs/dbraw/zinc/55/68/99/583556899.db2.gz RXXUIKBDSXUWOX-MNOVXSKESA-N 2 0 253.346 -0.377 20 0 CBADRP CN(C(=O)[C@@H]1[NH2+]CC12CCOCC2)[C@@H]1CC[NH2+]C1 ZINC000852825929 583556924 /nfs/dbraw/zinc/55/69/24/583556924.db2.gz WYQBIKMGXJRAGL-MNOVXSKESA-N 2 0 253.346 -0.425 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852856290 583561474 /nfs/dbraw/zinc/56/14/74/583561474.db2.gz YBPBSOYJZBRNNP-VXGBXAGGSA-N 2 0 298.387 -0.437 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NCCCC[NH+]2CCOCC2)=NO1 ZINC000852858540 583561902 /nfs/dbraw/zinc/56/19/02/583561902.db2.gz CEIAYNROPHOHOD-NSHDSACASA-N 2 0 284.360 -0.681 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852860130 583562145 /nfs/dbraw/zinc/56/21/45/583562145.db2.gz KXMRKYBHEFZYPE-NXEZZACHSA-N 2 0 254.334 -0.452 20 0 CBADRP C[C@@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)C[NH+]1CCCC1 ZINC000852860269 583562518 /nfs/dbraw/zinc/56/25/18/583562518.db2.gz OTRNVUAWHLYSSG-QWRGUYRKSA-N 2 0 268.361 -0.062 20 0 CBADRP COCC[N@H+](C)CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852863795 583563139 /nfs/dbraw/zinc/56/31/39/583563139.db2.gz IRHXLQNRCGKFJW-UHFFFAOYSA-N 2 0 255.362 -0.009 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)=NO1 ZINC000852863119 583563196 /nfs/dbraw/zinc/56/31/96/583563196.db2.gz QPLCMYYMZFSRKK-SCZZXKLOSA-N 2 0 252.318 -0.557 20 0 CBADRP C[NH+]1CCC(CNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852863389 583563211 /nfs/dbraw/zinc/56/32/11/583563211.db2.gz MZFOFQARQMFGRL-JTQLQIEISA-N 2 0 254.334 -0.452 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)=NO1 ZINC000852863118 583563366 /nfs/dbraw/zinc/56/33/66/583563366.db2.gz QPLCMYYMZFSRKK-PSASIEDQSA-N 2 0 252.318 -0.557 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852864605 583563568 /nfs/dbraw/zinc/56/35/68/583563568.db2.gz BIVIPVHBSGIUKV-UWVGGRQHSA-N 2 0 254.334 -0.357 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000852864298 583563588 /nfs/dbraw/zinc/56/35/88/583563588.db2.gz RJOGELXTWSXJRT-VOAKCMCISA-N 2 0 283.372 -0.670 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)C2=NO[C@@H](C[NH3+])C2)n1 ZINC000852864500 583563607 /nfs/dbraw/zinc/56/36/07/583563607.db2.gz XVPNYHBFMZHOIT-SECBINFHSA-N 2 0 280.332 -0.513 20 0 CBADRP C[C@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)[N@H+](C)C1CC1 ZINC000852865164 583563914 /nfs/dbraw/zinc/56/39/14/583563914.db2.gz SVZNDBCIZQILNO-PSASIEDQSA-N 2 0 254.334 -0.311 20 0 CBADRP C[C@@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)[N@H+](C)C1CC1 ZINC000852865167 583564095 /nfs/dbraw/zinc/56/40/95/583564095.db2.gz SVZNDBCIZQILNO-WPRPVWTQSA-N 2 0 254.334 -0.311 20 0 CBADRP C[C@@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)[N@H+](C)C1CC1 ZINC000852865166 583564127 /nfs/dbraw/zinc/56/41/27/583564127.db2.gz SVZNDBCIZQILNO-WCBMZHEXSA-N 2 0 254.334 -0.311 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)c1[nH]nc2c1C[NH2+]CC2 ZINC000852866556 583564311 /nfs/dbraw/zinc/56/43/11/583564311.db2.gz XNWMEOKKUNCWOM-UHFFFAOYSA-N 2 0 261.329 -0.463 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852870540 583564756 /nfs/dbraw/zinc/56/47/56/583564756.db2.gz VQSKBMJETDQGPO-GHMZBOCLSA-N 2 0 268.361 -0.110 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)C[N@@H+]1C1CC1 ZINC000852872793 583565625 /nfs/dbraw/zinc/56/56/25/583565625.db2.gz RFZAMCYSNKKKJG-WCABBAIRSA-N 2 0 266.345 -0.169 20 0 CBADRP CC[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC[C@@H]1[NH3+] ZINC000852879208 583566442 /nfs/dbraw/zinc/56/64/42/583566442.db2.gz RUAKIDOWIPKAGM-BBBLOLIVSA-N 2 0 254.334 -0.324 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852881229 583566718 /nfs/dbraw/zinc/56/67/18/583566718.db2.gz SZWCXSIZIJMRMY-REIXXSIJSA-N 2 0 254.334 -0.407 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)=NO1 ZINC000852880610 583566833 /nfs/dbraw/zinc/56/68/33/583566833.db2.gz NVIJTQZBYGPQCJ-VXGBXAGGSA-N 2 0 280.372 -0.062 20 0 CBADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852882246 583567472 /nfs/dbraw/zinc/56/74/72/583567472.db2.gz AZIKXVGIVOECTI-PSASIEDQSA-N 2 0 254.334 -0.406 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)NCCC[C@@H]2CCC[NH2+]2)=NO1 ZINC000852882617 583567503 /nfs/dbraw/zinc/56/75/03/583567503.db2.gz MXCXRZGFNZRVPF-VHSXEESVSA-N 2 0 254.334 -0.262 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)C(F)(F)F ZINC000852883290 583567708 /nfs/dbraw/zinc/56/77/08/583567708.db2.gz XGAPKZNLFMVXQI-IYSWYEEDSA-N 2 0 268.239 -0.514 20 0 CBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852884467 583568005 /nfs/dbraw/zinc/56/80/05/583568005.db2.gz ZJCJXMDVFUQHQP-VXGBXAGGSA-N 2 0 298.387 -0.341 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC3CCC2(C[NH3+])CC3)=NO1 ZINC000852893437 583570742 /nfs/dbraw/zinc/57/07/42/583570742.db2.gz GWXXSZDJJFPBAC-QUNCOHTASA-N 2 0 266.345 -0.180 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000852913673 583574030 /nfs/dbraw/zinc/57/40/30/583574030.db2.gz CJTHCXFOJAFWLS-KBPBESRZSA-N 2 0 296.415 -0.739 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)CC[C@H]1F ZINC000852918587 583574761 /nfs/dbraw/zinc/57/47/61/583574761.db2.gz FJKROQVIGJABDA-HBNTYKKESA-N 2 0 259.325 -0.347 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000857107020 583664939 /nfs/dbraw/zinc/66/49/39/583664939.db2.gz ICBCMDJUHKDVTF-WDEREUQCSA-N 2 0 285.392 -0.780 20 0 CBADRP C[NH+](C)CCN1CCN(c2cc[nH+]c(CO)c2)CC1=O ZINC000858604487 583699203 /nfs/dbraw/zinc/69/92/03/583699203.db2.gz KSKPBQDMWLZMSU-UHFFFAOYSA-N 2 0 278.356 -0.216 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000861574849 583771274 /nfs/dbraw/zinc/77/12/74/583771274.db2.gz ZBTZDCKSLPNYPC-UPJWGTAASA-N 2 0 298.387 -0.863 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000861574832 583771386 /nfs/dbraw/zinc/77/13/86/583771386.db2.gz ZAXZNNXLVFMLGE-QNWHQSFQSA-N 2 0 282.388 -0.101 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000861592581 583771896 /nfs/dbraw/zinc/77/18/96/583771896.db2.gz NRUBCQVILHDEJF-QWHCGFSZSA-N 2 0 285.436 -0.142 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)NCCCN1CC[NH2+]CC1 ZINC000861638594 583774086 /nfs/dbraw/zinc/77/40/86/583774086.db2.gz DULXJGCYSSJPBA-LLVKDONJSA-N 2 0 257.382 -0.730 20 0 CBADRP COCC1(CNC(=O)N(C)C[C@H](C)[NH3+])CC[NH2+]CC1 ZINC000861644253 583774854 /nfs/dbraw/zinc/77/48/54/583774854.db2.gz ZWNWDXYDOITUNH-NSHDSACASA-N 2 0 272.393 -0.009 20 0 CBADRP [NH3+]C1(CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)CCOCC1 ZINC000861646928 583775199 /nfs/dbraw/zinc/77/51/99/583775199.db2.gz WQNQQLRSSBGFGY-SECBINFHSA-N 2 0 292.330 -0.209 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000861647050 583775466 /nfs/dbraw/zinc/77/54/66/583775466.db2.gz ZKCATNMSHGRJJE-ZJUUUORDSA-N 2 0 292.330 -0.651 20 0 CBADRP CN(C(=O)NC[C@H]1COCC[NH2+]1)C1CCC([NH3+])CC1 ZINC000861686963 583777652 /nfs/dbraw/zinc/77/76/52/583777652.db2.gz HGIBGRFUSXAWGQ-CXQJBGSLSA-N 2 0 270.377 -0.114 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000861738182 583782744 /nfs/dbraw/zinc/78/27/44/583782744.db2.gz YJQXMCNCGZDDBQ-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000861742851 583783067 /nfs/dbraw/zinc/78/30/67/583783067.db2.gz MFOAVTRZAADVPD-NXEZZACHSA-N 2 0 268.361 -0.855 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861742870 583783136 /nfs/dbraw/zinc/78/31/36/583783136.db2.gz NABWJPHZOAOUHT-VHSXEESVSA-N 2 0 258.366 -0.752 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000861744688 583783278 /nfs/dbraw/zinc/78/32/78/583783278.db2.gz NJVCOVJCXBQEFY-QJPTWQEYSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861744209 583783299 /nfs/dbraw/zinc/78/32/99/583783299.db2.gz USKBGKQPECFBSC-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000861752268 583784072 /nfs/dbraw/zinc/78/40/72/583784072.db2.gz DJBAVYSBCBSIOP-JBLDHEPKSA-N 2 0 282.388 -0.609 20 0 CBADRP Cc1nccn1CCCCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861754985 583784595 /nfs/dbraw/zinc/78/45/95/583784595.db2.gz RGOAWEYAVOEJOJ-LLVKDONJSA-N 2 0 295.387 -0.106 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861759648 583784701 /nfs/dbraw/zinc/78/47/01/583784701.db2.gz OANNGAMKWNBDAI-MNOVXSKESA-N 2 0 272.393 -0.362 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861759649 583784837 /nfs/dbraw/zinc/78/48/37/583784837.db2.gz OANNGAMKWNBDAI-QWRGUYRKSA-N 2 0 272.393 -0.362 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000861763372 583785009 /nfs/dbraw/zinc/78/50/09/583785009.db2.gz WGVFGVGOLIHSHQ-MNOVXSKESA-N 2 0 282.388 -0.441 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000861761018 583785045 /nfs/dbraw/zinc/78/50/45/583785045.db2.gz UHWBUEFQPKGZRJ-PNESKVBLSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000861769753 583785310 /nfs/dbraw/zinc/78/53/10/583785310.db2.gz CFNGMDZYJORVQI-AAEUAGOBSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000861769756 583785685 /nfs/dbraw/zinc/78/56/85/583785685.db2.gz CFNGMDZYJORVQI-YPMHNXCESA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]([NH3+])CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549130 583846339 /nfs/dbraw/zinc/84/63/39/583846339.db2.gz AASSKVUJLTVXDZ-JLLWLGSASA-N 2 0 268.361 -0.409 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000863552126 583846358 /nfs/dbraw/zinc/84/63/58/583846358.db2.gz PCQRGCGIVBFRQJ-CQSZACIVSA-N 2 0 299.415 -0.066 20 0 CBADRP C[C@H]([NH3+])CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549131 583846505 /nfs/dbraw/zinc/84/65/05/583846505.db2.gz AASSKVUJLTVXDZ-WCQGTBRESA-N 2 0 268.361 -0.409 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000863752318 583852594 /nfs/dbraw/zinc/85/25/94/583852594.db2.gz RGTBRLNENJHDMJ-LBPRGKRZSA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000863751664 583852605 /nfs/dbraw/zinc/85/26/05/583852605.db2.gz NCYDJHXZRMAAEM-MNOVXSKESA-N 2 0 270.377 -0.655 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000863754973 583853027 /nfs/dbraw/zinc/85/30/27/583853027.db2.gz XVUFAROMYXHDPD-NEPJUHHUSA-N 2 0 282.388 -0.511 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000863754975 583853059 /nfs/dbraw/zinc/85/30/59/583853059.db2.gz XVUFAROMYXHDPD-RYUDHWBXSA-N 2 0 282.388 -0.511 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000863755417 583853222 /nfs/dbraw/zinc/85/32/22/583853222.db2.gz PFRGSBBOJLHOLP-CHWSQXEVSA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000863761873 583854342 /nfs/dbraw/zinc/85/43/42/583854342.db2.gz RXMXNHLTEHRDJX-UTUOFQBUSA-N 2 0 282.388 -0.513 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000863761979 583854348 /nfs/dbraw/zinc/85/43/48/583854348.db2.gz VOAXXDWUULMPKF-STQMWFEESA-N 2 0 296.415 -0.264 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863766293 583854997 /nfs/dbraw/zinc/85/49/97/583854997.db2.gz UNMCUYRVJLZPCZ-LBPRGKRZSA-N 2 0 286.420 -0.018 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000863768405 583855239 /nfs/dbraw/zinc/85/52/39/583855239.db2.gz OJZKDUIPBMBNLY-XQQFMLRXSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000863774106 583855888 /nfs/dbraw/zinc/85/58/88/583855888.db2.gz PMIUBWUBZQYIOK-WFASDCNBSA-N 2 0 296.415 -0.264 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCCNC1=O ZINC000865177227 583899588 /nfs/dbraw/zinc/89/95/88/583899588.db2.gz BRWYEWJHWSKDJT-GFCCVEGCSA-N 2 0 284.404 -0.536 20 0 CBADRP C[N@@H+]1CCN(c2nc(N)[nH+]c(N)n2)CCC1(C)C ZINC000866112664 583916540 /nfs/dbraw/zinc/91/65/40/583916540.db2.gz ICXQGKDIOGHOFM-UHFFFAOYSA-N 2 0 251.338 -0.044 20 0 CBADRP CC[NH+]1CCC([NH2+]C[C@@]23COCCN2C(=O)COC3)CC1 ZINC000866557126 583924302 /nfs/dbraw/zinc/92/43/02/583924302.db2.gz YUJAYUADEVJUHA-HNNXBMFYSA-N 2 0 297.399 -0.312 20 0 CBADRP Cn1nnnc1CC[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000866665985 583926572 /nfs/dbraw/zinc/92/65/72/583926572.db2.gz JVSKXQYCCWTVCW-OCCSQVGLSA-N 2 0 294.403 -0.029 20 0 CBADRP CCOCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707637 583927796 /nfs/dbraw/zinc/92/77/96/583927796.db2.gz JAJLWZHZWKOWCQ-TUAOUCFPSA-N 2 0 269.345 -0.110 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(CCC(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000866703168 583927804 /nfs/dbraw/zinc/92/78/04/583927804.db2.gz GEXAFMAKZSYIAG-KGLIPLIRSA-N 2 0 280.416 -0.166 20 0 CBADRP CN1C(=O)[C@H]2C[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C[C@H]2C1=O ZINC000866702208 583927835 /nfs/dbraw/zinc/92/78/35/583927835.db2.gz XHGDSMOFHBDOAA-MXWKQRLJSA-N 2 0 279.340 -0.946 20 0 CBADRP CN1C(=O)[C@H]2C[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C[C@H]2C1=O ZINC000866702207 583927888 /nfs/dbraw/zinc/92/78/88/583927888.db2.gz XHGDSMOFHBDOAA-GARJFASQSA-N 2 0 279.340 -0.946 20 0 CBADRP COCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708049 583927898 /nfs/dbraw/zinc/92/78/98/583927898.db2.gz MORWCCWIMYIQJW-AXFHLTTASA-N 2 0 255.318 -0.500 20 0 CBADRP COCCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711287 583928065 /nfs/dbraw/zinc/92/80/65/583928065.db2.gz HBHQGRXCYDYOSF-TUAOUCFPSA-N 2 0 269.345 -0.110 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000866709619 583928136 /nfs/dbraw/zinc/92/81/36/583928136.db2.gz SRQCRXPFLNUWJM-MROQNXINSA-N 2 0 280.372 -0.537 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000866709623 583928146 /nfs/dbraw/zinc/92/81/46/583928146.db2.gz SRQCRXPFLNUWJM-ZDEQEGDKSA-N 2 0 280.372 -0.537 20 0 CBADRP O=C1NCCO[C@@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)[C@H]12 ZINC000866717909 583928633 /nfs/dbraw/zinc/92/86/33/583928633.db2.gz TZTTZYAGNZOKRU-XQQFMLRXSA-N 2 0 267.373 -0.035 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@@H]1CCCC[NH2+]C1 ZINC000866767398 583931791 /nfs/dbraw/zinc/93/17/91/583931791.db2.gz AJQGUJSCHIRYEX-MNOVXSKESA-N 2 0 277.390 -0.964 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)/C=C\CN1CCOCC1 ZINC000866920159 583936634 /nfs/dbraw/zinc/93/66/34/583936634.db2.gz BUVPCEBFZYIZMC-WSNITJDQSA-N 2 0 285.388 -0.696 20 0 CBADRP CNS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867590748 583958393 /nfs/dbraw/zinc/95/83/93/583958393.db2.gz UBLJRTPSQAOVAV-GHMZBOCLSA-N 2 0 278.422 -0.878 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[NH2+]CC3)CC[C@H]21 ZINC000868386687 583976624 /nfs/dbraw/zinc/97/66/24/583976624.db2.gz KNAUPMUFLXFSBC-CHWSQXEVSA-N 2 0 294.399 -0.639 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC000868388219 583976702 /nfs/dbraw/zinc/97/67/02/583976702.db2.gz XAGAGOWKFGQUFI-UPJWGTAASA-N 2 0 294.399 -0.641 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC[C@H]21 ZINC000868386794 583976708 /nfs/dbraw/zinc/97/67/08/583976708.db2.gz JDDUBWURVFHSTM-FRRDWIJNSA-N 2 0 294.399 -0.511 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC[NH2+]1 ZINC000868389229 583976890 /nfs/dbraw/zinc/97/68/90/583976890.db2.gz NZZQZHDQEQXGFM-RWMBFGLXSA-N 2 0 294.399 -0.641 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC[NH2+]1 ZINC000868389232 583976969 /nfs/dbraw/zinc/97/69/69/583976969.db2.gz NZZQZHDQEQXGFM-YNEHKIRRSA-N 2 0 294.399 -0.641 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868392137 583977074 /nfs/dbraw/zinc/97/70/74/583977074.db2.gz SVXMOUKJFKPMJQ-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC[C@H]21 ZINC000868399079 583977261 /nfs/dbraw/zinc/97/72/61/583977261.db2.gz AYRPGJRQKZNHJU-ZDEQEGDKSA-N 2 0 292.383 -0.888 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868395138 583977364 /nfs/dbraw/zinc/97/73/64/583977364.db2.gz HBDOOLURMLLEIX-NWDGAFQWSA-N 2 0 282.388 -0.654 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868410124 583978190 /nfs/dbraw/zinc/97/81/90/583978190.db2.gz JILNXAFKBUGKOQ-RYUDHWBXSA-N 2 0 282.388 -0.654 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868422288 583979146 /nfs/dbraw/zinc/97/91/46/583979146.db2.gz RMOKEPZSPNUNPT-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3COCC[NH2+]3)CC[C@H]21 ZINC000870981047 584024014 /nfs/dbraw/zinc/02/40/14/584024014.db2.gz FLVJNHFFZJPMDC-FRRDWIJNSA-N 2 0 267.373 -0.083 20 0 CBADRP CC(C)([NH3+])CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870997951 584024727 /nfs/dbraw/zinc/02/47/27/584024727.db2.gz AZOJRXQCGYOEBB-MXWKQRLJSA-N 2 0 296.371 -0.493 20 0 CBADRP COCCN(C)C(=[NH2+])NCCCN(C)CC[NH+](C)C ZINC000871605511 584043697 /nfs/dbraw/zinc/04/36/97/584043697.db2.gz GIDKFOPSWWMKAE-UHFFFAOYSA-N 2 0 273.425 -0.028 20 0 CBADRP CN(CCCCCC[NH3+])S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000871822721 584046447 /nfs/dbraw/zinc/04/64/47/584046447.db2.gz IHDCKIIGPHRCAV-GFCCVEGCSA-N 2 0 293.433 -0.245 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000871817585 584046468 /nfs/dbraw/zinc/04/64/68/584046468.db2.gz CSBFKRIGUXFTRB-TUAOUCFPSA-N 2 0 289.401 -0.821 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000871817582 584046474 /nfs/dbraw/zinc/04/64/74/584046474.db2.gz CSBFKRIGUXFTRB-QJPTWQEYSA-N 2 0 289.401 -0.821 20 0 CBADRP Cn1nnnc1C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000872146872 584048261 /nfs/dbraw/zinc/04/82/61/584048261.db2.gz ZNMQEEGRMYXEEQ-JTQLQIEISA-N 2 0 250.350 -0.001 20 0 CBADRP C[C@H](O)[C@@H](O)C[NH2+]C[C@@H](O)CN(C)Cc1ccccc1 ZINC000872225378 584051040 /nfs/dbraw/zinc/05/10/40/584051040.db2.gz JGJXZXPJOWIDJH-CFVMTHIKSA-N 2 0 282.384 -0.189 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000872242418 584052129 /nfs/dbraw/zinc/05/21/29/584052129.db2.gz DFUVSYIMBLFKNH-KBPBESRZSA-N 2 0 285.432 -0.001 20 0 CBADRP C[C@@]1(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[NH2+]C1 ZINC000872257790 584052300 /nfs/dbraw/zinc/05/23/00/584052300.db2.gz XACNRVNHNVQJMT-SFDCQRBFSA-N 3 0 294.399 -0.147 20 0 CBADRP [NH3+]CC1(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000872257865 584052397 /nfs/dbraw/zinc/05/23/97/584052397.db2.gz ZPJRGDOKAQWAOK-UTUOFQBUSA-N 3 0 280.372 -0.408 20 0 CBADRP CC1(C)CC[NH2+]CCN1C(=O)c1cn(CCC[NH3+])nn1 ZINC000872299653 584054749 /nfs/dbraw/zinc/05/47/49/584054749.db2.gz OANOHOVHMKXDMI-UHFFFAOYSA-N 2 0 280.376 -0.159 20 0 CBADRP CC1(C)CC[NH2+]CCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000872297898 584054866 /nfs/dbraw/zinc/05/48/66/584054866.db2.gz YNZWKLFBKCAXKF-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000872304794 584054977 /nfs/dbraw/zinc/05/49/77/584054977.db2.gz NZVWMGSYBJPVNC-OOCWMUITSA-N 2 0 294.355 -0.883 20 0 CBADRP C[C@@H](C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[NH+](C)C ZINC000872303550 584055053 /nfs/dbraw/zinc/05/50/53/584055053.db2.gz KNTSIEMDNCSLQC-QCNOEVLYSA-N 2 0 296.371 -0.670 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000873248326 584069071 /nfs/dbraw/zinc/06/90/71/584069071.db2.gz DBOHAABGBCJIOV-DMDPSCGWSA-N 2 0 269.345 -0.075 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000873248363 584069219 /nfs/dbraw/zinc/06/92/19/584069219.db2.gz DPRTVZJAOHXFBX-HOSYDEDBSA-N 2 0 257.334 -0.077 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000873265983 584069565 /nfs/dbraw/zinc/06/95/65/584069565.db2.gz KVWAYZGOGVLGFS-LOWVWBTDSA-N 2 0 271.361 -0.670 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000873265372 584069574 /nfs/dbraw/zinc/06/95/74/584069574.db2.gz HOIASCSHEIBATD-MDZLAQPJSA-N 2 0 269.345 -0.916 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000873267531 584069883 /nfs/dbraw/zinc/06/98/83/584069883.db2.gz ZQFLRXYOWGPLDI-OBJOEFQTSA-N 2 0 283.372 -0.669 20 0 CBADRP C[NH+]1CCN(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC000873876472 584074906 /nfs/dbraw/zinc/07/49/06/584074906.db2.gz YCYRUTHXAARJGZ-UHFFFAOYSA-N 2 0 254.378 -0.554 20 0 CBADRP COC(OC)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000874381941 584082504 /nfs/dbraw/zinc/08/25/04/584082504.db2.gz DETRYAGWRZJUPH-UHFFFAOYSA-N 2 0 261.366 -0.443 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000874443562 584084298 /nfs/dbraw/zinc/08/42/98/584084298.db2.gz NSYXQXQDEQJLJE-LBPRGKRZSA-N 2 0 255.362 -0.081 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC000874456426 584084964 /nfs/dbraw/zinc/08/49/64/584084964.db2.gz BEJOFNGOJNSNJV-GFCCVEGCSA-N 2 0 254.378 -0.556 20 0 CBADRP O=C(/C=C\[C@H]1CCC[NH2+]C1)NCCCN1CC[NH2+]CC1 ZINC000876502951 584129787 /nfs/dbraw/zinc/12/97/87/584129787.db2.gz UGUOIODXBBMPIQ-ZRUQZJFASA-N 2 0 280.416 -0.046 20 0 CBADRP CC1(C)[C@H](C(=O)NCCN2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000876510872 584130318 /nfs/dbraw/zinc/13/03/18/584130318.db2.gz QZOJJTWQEDGBQG-QWRGUYRKSA-N 2 0 254.378 -0.619 20 0 CBADRP [NH3+]C[C@H]1CCCN(C(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000876513498 584130421 /nfs/dbraw/zinc/13/04/21/584130421.db2.gz DIYOQXZWMUGYCW-YPMHNXCESA-N 2 0 255.362 -0.061 20 0 CBADRP COC[C@@]1(C(=O)N2CCC[C@@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000876515057 584130580 /nfs/dbraw/zinc/13/05/80/584130580.db2.gz WQYPITUBEZOLGU-WCQYABFASA-N 2 0 271.361 -0.811 20 0 CBADRP [NH3+]CCc1ccc(CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])cc1 ZINC000876518443 584130838 /nfs/dbraw/zinc/13/08/38/584130838.db2.gz QNOFZEAWZFGONT-QWHCGFSZSA-N 2 0 263.341 -0.080 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876525930 584131304 /nfs/dbraw/zinc/13/13/04/584131304.db2.gz NECXPABUXDIQPB-NEPJUHHUSA-N 2 0 268.405 -0.277 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876525933 584131315 /nfs/dbraw/zinc/13/13/15/584131315.db2.gz NECXPABUXDIQPB-VXGBXAGGSA-N 2 0 268.405 -0.277 20 0 CBADRP COC[C@@]1(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C[NH2+]CCO1 ZINC000876529782 584131584 /nfs/dbraw/zinc/13/15/84/584131584.db2.gz HPXDBXFVKAPNRW-NTZNESFSSA-N 2 0 271.361 -0.800 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)C[NH2+]CCO1 ZINC000876533810 584131792 /nfs/dbraw/zinc/13/17/92/584131792.db2.gz WKOMWQSUBJQMRY-MDZLAQPJSA-N 2 0 271.361 -0.813 20 0 CBADRP COC[C@]1(C(=O)N(C)CC[C@H]([NH3+])C(C)C)C[NH2+]CCO1 ZINC000876542098 584132301 /nfs/dbraw/zinc/13/23/01/584132301.db2.gz OOENBQVYGSSHRJ-JSGCOSHPSA-N 2 0 287.404 -0.177 20 0 CBADRP CN(C(=O)CN1CC[NH2+]CC1)C1CCC([NH3+])CC1 ZINC000876541175 584132374 /nfs/dbraw/zinc/13/23/74/584132374.db2.gz YAJQRMSYGVVVQR-UHFFFAOYSA-N 2 0 254.378 -0.380 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000876539583 584132519 /nfs/dbraw/zinc/13/25/19/584132519.db2.gz MNEJCEQHEDMBLX-CYBMUJFWSA-N 2 0 273.377 -0.375 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)CCO1 ZINC000876544454 584133094 /nfs/dbraw/zinc/13/30/94/584133094.db2.gz UJCNVCGRXQMJHO-NAKRPEOUSA-N 2 0 255.362 -0.066 20 0 CBADRP CCCN(C(=O)[C@@H](N)C[NH+](C)C)C1CC[NH2+]CC1 ZINC000876706808 584140123 /nfs/dbraw/zinc/14/01/23/584140123.db2.gz HKYQJYYHSYZMHB-LBPRGKRZSA-N 2 0 256.394 -0.134 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@@]2(COC)C[NH2+]CCO2)CC1 ZINC000876712198 584140420 /nfs/dbraw/zinc/14/04/20/584140420.db2.gz NJZJVUGIYPUDKL-HNNXBMFYSA-N 2 0 299.415 -0.018 20 0 CBADRP COC[C@@]1(C(=O)N2CC[NH+](CC(C)C)CC2)C[NH2+]CCO1 ZINC000876709040 584140438 /nfs/dbraw/zinc/14/04/38/584140438.db2.gz HNTJGCKPWSIUDJ-OAHLLOKOSA-N 2 0 299.415 -0.208 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000876723456 584140932 /nfs/dbraw/zinc/14/09/32/584140932.db2.gz ATSMGJXVYBYOMQ-AWEZNQCLSA-N 2 0 298.431 -0.554 20 0 CBADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000876723625 584140964 /nfs/dbraw/zinc/14/09/64/584140964.db2.gz VTCZNYDSAALUKR-RYUDHWBXSA-N 2 0 256.394 -0.134 20 0 CBADRP COC[C@]1(C(=O)N[C@@H](C)C[NH+]2CCCCC2)C[NH2+]CCO1 ZINC000876723716 584141116 /nfs/dbraw/zinc/14/11/16/584141116.db2.gz GEKWTAJYDRDTQQ-ZFWWWQNUSA-N 2 0 299.415 -0.018 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C[NH2+]CCO1 ZINC000876729554 584141325 /nfs/dbraw/zinc/14/13/25/584141325.db2.gz QOGQBKKKGJVWTF-YDHLFZDLSA-N 2 0 297.399 -0.266 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@H](N)C[NH+](C)C)n1 ZINC000876743516 584141583 /nfs/dbraw/zinc/14/15/83/584141583.db2.gz FJHUWYFHFDZHTQ-JTQLQIEISA-N 2 0 268.365 -0.728 20 0 CBADRP CC[NH+]1CCC(CNC(=O)[C@@]2(COC)C[NH2+]CCO2)CC1 ZINC000876736585 584141622 /nfs/dbraw/zinc/14/16/22/584141622.db2.gz WIICHTGNCMWAGQ-HNNXBMFYSA-N 2 0 299.415 -0.161 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)C[NH2+]CCO1 ZINC000876733789 584141624 /nfs/dbraw/zinc/14/16/24/584141624.db2.gz HRUWFLMWDXHMLY-HIFRSBDPSA-N 2 0 299.415 -0.162 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876744937 584141957 /nfs/dbraw/zinc/14/19/57/584141957.db2.gz HTTKOUSIDYXMKW-GHMZBOCLSA-N 2 0 261.341 -0.372 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876749598 584142492 /nfs/dbraw/zinc/14/24/92/584142492.db2.gz ALGWZHBOJUMFAI-NEPJUHHUSA-N 2 0 256.394 -0.134 20 0 CBADRP COC[C@]1(C(=O)NCC[N@H+](C)C2CCCC2)C[NH2+]CCO1 ZINC000876756185 584142790 /nfs/dbraw/zinc/14/27/90/584142790.db2.gz QAZKEJVOTCXJKL-HNNXBMFYSA-N 2 0 299.415 -0.018 20 0 CBADRP COC[C@@]1(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000876755166 584142893 /nfs/dbraw/zinc/14/28/93/584142893.db2.gz SBTNSUNOVJWDFA-UKRRQHHQSA-N 2 0 297.399 -0.314 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876762218 584143218 /nfs/dbraw/zinc/14/32/18/584143218.db2.gz CMGGQEHUOMCNSH-OLZOCXBDSA-N 2 0 270.421 -0.031 20 0 CBADRP C[C@H](NC(=O)[C@@H](N)C[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000876772431 584143557 /nfs/dbraw/zinc/14/35/57/584143557.db2.gz MJLHQJOLELPDTQ-QWRGUYRKSA-N 2 0 258.410 -0.032 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000876772748 584143586 /nfs/dbraw/zinc/14/35/86/584143586.db2.gz HAONKCRWDUBHDE-OLZOCXBDSA-N 2 0 284.404 -0.944 20 0 CBADRP C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000876772430 584143683 /nfs/dbraw/zinc/14/36/83/584143683.db2.gz MJLHQJOLELPDTQ-MNOVXSKESA-N 2 0 258.410 -0.032 20 0 CBADRP C[C@H]1C[C@@H](N(C)C(=O)[C@@H](N)C[NH+](C)C)CC[N@@H+]1C ZINC000876772698 584143735 /nfs/dbraw/zinc/14/37/35/584143735.db2.gz RAOXUJABDSDGCN-SRVKXCTJSA-N 2 0 256.394 -0.184 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000876776776 584143862 /nfs/dbraw/zinc/14/38/62/584143862.db2.gz QQVYBRHJJWAIGJ-STQMWFEESA-N 2 0 284.404 -0.944 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000876776775 584143949 /nfs/dbraw/zinc/14/39/49/584143949.db2.gz QQVYBRHJJWAIGJ-OLZOCXBDSA-N 2 0 284.404 -0.944 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000876782522 584144191 /nfs/dbraw/zinc/14/41/91/584144191.db2.gz QLDYHLNCVRDLKT-USWWRNFRSA-N 2 0 254.378 -0.526 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876782249 584144205 /nfs/dbraw/zinc/14/42/05/584144205.db2.gz VBBXGIZDWIGVAQ-QWHCGFSZSA-N 2 0 286.395 -0.312 20 0 CBADRP C[C@H]1C[C@H](NC(=O)[C@@H](N)C[NH+](C)C)C[N@@H+]1C1CC1 ZINC000876779606 584144260 /nfs/dbraw/zinc/14/42/60/584144260.db2.gz AAYWCFINLRDBQS-NHCYSSNCSA-N 2 0 254.378 -0.383 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876784085 584144505 /nfs/dbraw/zinc/14/45/05/584144505.db2.gz WKRISQISEIZFQB-MEWZEZIVSA-N 2 0 280.416 -0.096 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)C[NH2+]CCO1 ZINC000876796372 584145220 /nfs/dbraw/zinc/14/52/20/584145220.db2.gz KPMWGATXUOQFOU-GVXVVHGQSA-N 2 0 271.361 -0.813 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000876799608 584145515 /nfs/dbraw/zinc/14/55/15/584145515.db2.gz IHIPEHKBYDMRSL-QCNOEVLYSA-N 2 0 254.378 -0.539 20 0 CBADRP COC[C@@]1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C[NH2+]CCO1 ZINC000876805509 584146876 /nfs/dbraw/zinc/14/68/76/584146876.db2.gz CPIHYIYJAIASKP-ZIAGYGMSSA-N 2 0 283.372 -0.797 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C[NH2+]CCO1 ZINC000876832162 584148049 /nfs/dbraw/zinc/14/80/49/584148049.db2.gz NQOHNCDIOTZFBF-WZRBSPASSA-N 2 0 271.361 -0.752 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000876841620 584148517 /nfs/dbraw/zinc/14/85/17/584148517.db2.gz BMAXFWPLQLRHSM-NTZNESFSSA-N 2 0 253.346 -0.295 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000876844183 584148632 /nfs/dbraw/zinc/14/86/32/584148632.db2.gz WPRDJZBNBWRUJC-AWEZNQCLSA-N 2 0 278.400 -0.095 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876846946 584149209 /nfs/dbraw/zinc/14/92/09/584149209.db2.gz GOMJQYRAHJYNQH-OUAUKWLOSA-N 2 0 287.335 -0.703 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1(F)F ZINC000876852566 584149971 /nfs/dbraw/zinc/14/99/71/584149971.db2.gz FLIPSIYXIFSUJM-GMTAPVOTSA-N 2 0 288.342 -0.668 20 0 CBADRP C[C@@]1(C(=O)N[C@H]2C[NH2+]CCC2(F)F)C[NH2+]CCO1 ZINC000876866593 584151027 /nfs/dbraw/zinc/15/10/27/584151027.db2.gz VHJLNYWQWJWCNU-WPRPVWTQSA-N 2 0 263.288 -0.522 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2C[NH2+]CCC2(F)F)C[NH2+]CCO1 ZINC000876866340 584151059 /nfs/dbraw/zinc/15/10/59/584151059.db2.gz RSUGEGGRDXMXHZ-ONGXEEELSA-N 2 0 293.314 -0.895 20 0 CBADRP COC[C@]1(C(=O)NCCC[C@@H]2CCC[NH2+]2)C[NH2+]CCO1 ZINC000876867394 584151360 /nfs/dbraw/zinc/15/13/60/584151360.db2.gz FOVIGGSXZNDMBI-JSGCOSHPSA-N 2 0 285.388 -0.360 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000876869738 584151510 /nfs/dbraw/zinc/15/15/10/584151510.db2.gz COMNFOKRHSJVDB-NKWVEPMBSA-N 2 0 256.272 -0.729 20 0 CBADRP COC[C@]1(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C[NH2+]CCO1 ZINC000876869731 584151516 /nfs/dbraw/zinc/15/15/16/584151516.db2.gz CDXNJNMPDAXADY-WPRPVWTQSA-N 2 0 299.293 -0.613 20 0 CBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@@H](N)C[NH+](C)C ZINC000876875953 584152170 /nfs/dbraw/zinc/15/21/70/584152170.db2.gz FZYXCDWHRWWAGX-OLZOCXBDSA-N 2 0 286.420 -0.556 20 0 CBADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@@H](N)C[NH+](C)C ZINC000876880439 584152505 /nfs/dbraw/zinc/15/25/05/584152505.db2.gz UTQGGBCLIGNMHQ-AWEZNQCLSA-N 2 0 293.415 -0.139 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000876884677 584153065 /nfs/dbraw/zinc/15/30/65/584153065.db2.gz RONNFFCTRZKIAH-SRVKXCTJSA-N 2 0 256.394 -0.326 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876890391 584153679 /nfs/dbraw/zinc/15/36/79/584153679.db2.gz XVKSYEWBBZZIIE-WDEREUQCSA-N 2 0 261.341 -0.372 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000876919829 584155672 /nfs/dbraw/zinc/15/56/72/584155672.db2.gz ZSCTXOMENYWTKH-BZPMIXESSA-N 2 0 285.388 -0.565 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C[NH2+]CCO1 ZINC000876925627 584156250 /nfs/dbraw/zinc/15/62/50/584156250.db2.gz NQOHNCDIOTZFBF-NQBHXWOUSA-N 2 0 271.361 -0.752 20 0 CBADRP COC[C@@]1(C(=O)NCCCCCC[NH3+])C[NH2+]CCO1 ZINC000876937947 584156789 /nfs/dbraw/zinc/15/67/89/584156789.db2.gz JVDGFMZAIDDVNF-CYBMUJFWSA-N 2 0 273.377 -0.373 20 0 CBADRP COC[C@]1(C(=O)NCCCCCC[NH3+])C[NH2+]CCO1 ZINC000876937948 584156808 /nfs/dbraw/zinc/15/68/08/584156808.db2.gz JVDGFMZAIDDVNF-ZDUSSCGKSA-N 2 0 273.377 -0.373 20 0 CBADRP C[C@@H]1CCCN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1CC[NH3+] ZINC000876949009 584157609 /nfs/dbraw/zinc/15/76/09/584157609.db2.gz NQHJUEMLSZIYGO-WOPDTQHZSA-N 2 0 256.394 -0.149 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C[NH2+]CCO1 ZINC000876959209 584158351 /nfs/dbraw/zinc/15/83/51/584158351.db2.gz QADVGWLMUKYEDN-IUODEOHRSA-N 2 0 299.415 -0.020 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876960509 584158436 /nfs/dbraw/zinc/15/84/36/584158436.db2.gz FFIUIFRHOUJFRC-CHWSQXEVSA-N 2 0 288.411 -0.066 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876965633 584158554 /nfs/dbraw/zinc/15/85/54/584158554.db2.gz JGOVJTUJHDFCIL-RYUDHWBXSA-N 2 0 298.431 -0.162 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N[C@@H]2CC[NH2+]C23CCC3)=NO1 ZINC000877006256 584161443 /nfs/dbraw/zinc/16/14/43/584161443.db2.gz ZCCMNMSNPANCPL-PSASIEDQSA-N 2 0 252.318 -0.509 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCCNC(=O)C1)N1CC[NH+](C)CC1 ZINC000877022803 584161976 /nfs/dbraw/zinc/16/19/76/584161976.db2.gz SWXXCCBZNRENDF-STQMWFEESA-N 2 0 268.405 -0.119 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877038615 584163464 /nfs/dbraw/zinc/16/34/64/584163464.db2.gz UGFGKMIJSYRECF-LOWVWBTDSA-N 2 0 253.346 -0.377 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)C[NH2+]CCO1 ZINC000877045615 584164053 /nfs/dbraw/zinc/16/40/53/584164053.db2.gz DBVUORJOTICHPL-MDZLAQPJSA-N 2 0 271.361 -0.752 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877055068 584164291 /nfs/dbraw/zinc/16/42/91/584164291.db2.gz OFKMXECNTOXYBT-YPMHNXCESA-N 2 0 255.362 -0.048 20 0 CBADRP CN(CCOCC[NH3+])C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000877056435 584164488 /nfs/dbraw/zinc/16/44/88/584164488.db2.gz LOOISFKQMIVLFH-RXNFCKPNSA-N 2 0 255.362 -0.024 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000877116456 584167157 /nfs/dbraw/zinc/16/71/57/584167157.db2.gz YAXMOUSPLNYWNT-KBPBESRZSA-N 2 0 298.431 -0.508 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C[NH2+]CCO1 ZINC000877151646 584168262 /nfs/dbraw/zinc/16/82/62/584168262.db2.gz OVWFXCAZOLTMRE-WFASDCNBSA-N 2 0 299.415 -0.114 20 0 CBADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877170492 584168946 /nfs/dbraw/zinc/16/89/46/584168946.db2.gz OZLAZRCUJQCKKL-DTORHVGOSA-N 2 0 261.329 -0.368 20 0 CBADRP COc1ccc([C@@H]2CN(C(=O)C3(O)C[NH2+]C3)C[C@H]2[NH3+])cc1 ZINC000877238234 584171754 /nfs/dbraw/zinc/17/17/54/584171754.db2.gz BZIHRDFHLWEFCD-QWHCGFSZSA-N 2 0 291.351 -0.717 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877246007 584171968 /nfs/dbraw/zinc/17/19/68/584171968.db2.gz MPPQBRQQIHETIU-USZNOCQGSA-N 2 0 254.378 -0.478 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877246218 584172382 /nfs/dbraw/zinc/17/23/82/584172382.db2.gz RSRFDMPJGRVOLU-CLLJXQQHSA-N 2 0 266.389 -0.462 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C[NH2+]CCO1 ZINC000877250109 584172614 /nfs/dbraw/zinc/17/26/14/584172614.db2.gz NJFWPZMJSWBRJS-IPYPFGDCSA-N 2 0 297.399 -0.456 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877250958 584172674 /nfs/dbraw/zinc/17/26/74/584172674.db2.gz UZRGNTNTUSPQKW-GRYCIOLGSA-N 2 0 254.378 -0.572 20 0 CBADRP C[C@H](NC(=O)[C@]1(C)C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000877254599 584173363 /nfs/dbraw/zinc/17/33/63/584173363.db2.gz YFXCCVABXUTJRS-GWCFXTLKSA-N 2 0 255.362 -0.131 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)=NO1 ZINC000877264867 584173803 /nfs/dbraw/zinc/17/38/03/584173803.db2.gz AYFNTQVSPMJULR-SCVCMEIPSA-N 2 0 266.345 -0.310 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000877267282 584173885 /nfs/dbraw/zinc/17/38/85/584173885.db2.gz WOMJWMGHMAIRQV-SRVKXCTJSA-N 2 0 254.378 -0.524 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)=NO1 ZINC000877264865 584173905 /nfs/dbraw/zinc/17/39/05/584173905.db2.gz AYFNTQVSPMJULR-JFGNBEQYSA-N 2 0 266.345 -0.310 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877279877 584175714 /nfs/dbraw/zinc/17/57/14/584175714.db2.gz AECSJHMYSZSELP-LOWVWBTDSA-N 2 0 282.388 -0.561 20 0 CBADRP C[NH2+][C@@H](C)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877329112 584178590 /nfs/dbraw/zinc/17/85/90/584178590.db2.gz RAGPJBGMXASNDL-QWRGUYRKSA-N 2 0 255.362 -0.131 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000877328486 584178605 /nfs/dbraw/zinc/17/86/05/584178605.db2.gz HROWICVMVNZBRD-GRYCIOLGSA-N 2 0 267.373 -0.001 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877332248 584178873 /nfs/dbraw/zinc/17/88/73/584178873.db2.gz WVBYMJPAOQSTFY-QWHCGFSZSA-N 2 0 297.399 -0.360 20 0 CBADRP [NH3+]C1(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000877336321 584179028 /nfs/dbraw/zinc/17/90/28/584179028.db2.gz JOSRWYQYIUEBKJ-JTQLQIEISA-N 2 0 253.346 -0.247 20 0 CBADRP [NH3+]CCOCC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877371472 584179802 /nfs/dbraw/zinc/17/98/02/584179802.db2.gz RFKVAFHYBJOKLC-SFYZADRCSA-N 2 0 269.267 -0.443 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H]1CCO[C@H]1C[NH3+])C2 ZINC000877372842 584179966 /nfs/dbraw/zinc/17/99/66/584179966.db2.gz QFEFLPULXILGAP-MRBYEJRBSA-N 2 0 253.346 -0.582 20 0 CBADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@H]1C[NH2+]CCO1 ZINC000877451526 584182260 /nfs/dbraw/zinc/18/22/60/584182260.db2.gz QDHVKCXCVVUIOK-GRYCIOLGSA-N 2 0 253.346 -0.330 20 0 CBADRP COC(=O)[C@H](C)C[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000877969639 584189151 /nfs/dbraw/zinc/18/91/51/584189151.db2.gz AUHUGGHUBYRAIM-LLVKDONJSA-N 2 0 285.388 -0.062 20 0 CBADRP C[NH+]1CCC(NC(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000877982539 584189634 /nfs/dbraw/zinc/18/96/34/584189634.db2.gz WNGKVBFETFKRHD-RYUDHWBXSA-N 2 0 266.389 -0.652 20 0 CBADRP Cn1nnnc1CC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000878318029 584199348 /nfs/dbraw/zinc/19/93/48/584199348.db2.gz XPOOWPJYGCXMQR-UHFFFAOYSA-N 2 0 281.408 -0.678 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)[C@H]1CO ZINC000878485177 584205391 /nfs/dbraw/zinc/20/53/91/584205391.db2.gz IZXFHYORZZHHMZ-YPMHNXCESA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](O)C(C)(C)C2)CC1 ZINC000878532631 584206948 /nfs/dbraw/zinc/20/69/48/584206948.db2.gz UYHHHAXMWRUTFK-GFCCVEGCSA-N 2 0 269.389 -0.101 20 0 CBADRP CN(CCC[N@H+](C)CCc1nnnn1C)CC[NH+](C)C ZINC000878623564 584210810 /nfs/dbraw/zinc/21/08/10/584210810.db2.gz QWPAWQXJRLPJAF-UHFFFAOYSA-N 2 0 283.424 -0.432 20 0 CBADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC3(COC3)C2)CC1 ZINC000878991118 584223060 /nfs/dbraw/zinc/22/30/60/584223060.db2.gz FSGRQVZEIODAJP-UHFFFAOYSA-N 2 0 267.373 -0.081 20 0 CBADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCC(=O)NC(N)=O)CC[C@@H]21 ZINC000879574007 584241221 /nfs/dbraw/zinc/24/12/21/584241221.db2.gz VQGTUMWRXQQLHL-MNOVXSKESA-N 2 0 268.361 -0.013 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580329 584241753 /nfs/dbraw/zinc/24/17/53/584241753.db2.gz SNQXOZQYBLCZPE-SOUVJXGZSA-N 2 0 285.432 -0.049 20 0 CBADRP CN(C)c1ccnc(NCC[N@H+](C)CCOCCO)n1 ZINC000882951426 584334753 /nfs/dbraw/zinc/33/47/53/584334753.db2.gz DFLURYTXHMXUPV-UHFFFAOYSA-N 2 0 283.376 -0.105 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NCCN1CCOCC1 ZINC000883040980 584336664 /nfs/dbraw/zinc/33/66/64/584336664.db2.gz UUSQSQQMYGXMFZ-GFCCVEGCSA-N 2 0 270.377 -0.288 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883428243 584341760 /nfs/dbraw/zinc/34/17/60/584341760.db2.gz POHFIDHVEWFDCG-DCAQKATOSA-N 2 0 259.325 -0.477 20 0 CBADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCn2cnnn2)CC1 ZINC000883431801 584342042 /nfs/dbraw/zinc/34/20/42/584342042.db2.gz DNWQEGOHSIIMSN-STQMWFEESA-N 2 0 280.376 -0.109 20 0 CBADRP c1nnnn1CC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000883437853 584342515 /nfs/dbraw/zinc/34/25/15/584342515.db2.gz CMFXUYATCROIDI-ZDUSSCGKSA-N 2 0 280.376 -0.236 20 0 CBADRP O=C1NCC[C@@H]2CCC[N@H+](CCN3CC[NH2+]CC3)[C@@H]12 ZINC000883462324 584343216 /nfs/dbraw/zinc/34/32/16/584343216.db2.gz OHZYPAPVUNOWBD-QWHCGFSZSA-N 2 0 266.389 -0.508 20 0 CBADRP O=C(CC[N@@H+]1CCc2ncncc2C1)N1CC[NH2+]CC1 ZINC000883462475 584343593 /nfs/dbraw/zinc/34/35/93/584343593.db2.gz RTMMHXKAOKQNES-UHFFFAOYSA-N 2 0 275.356 -0.343 20 0 CBADRP CCC1([NH3+])CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000883483237 584343952 /nfs/dbraw/zinc/34/39/52/584343952.db2.gz YMVXVFAHQAUMQT-LLVKDONJSA-N 2 0 291.417 -0.492 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000883644111 584345777 /nfs/dbraw/zinc/34/57/77/584345777.db2.gz BRASJXDWYJJOTD-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP CN(C(=O)c1ccnc(N2CC[NH2+]CC2)c1)[C@@H]1CC[NH2+]C1 ZINC000884028415 584356383 /nfs/dbraw/zinc/35/63/83/584356383.db2.gz GHGKWBHOROMMLE-CYBMUJFWSA-N 2 0 289.383 -0.075 20 0 CBADRP C[C@H]1CN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC[NH2+]1 ZINC000884031020 584356668 /nfs/dbraw/zinc/35/66/68/584356668.db2.gz DDPYGCYJXNWPNR-LBPRGKRZSA-N 2 0 289.383 -0.075 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000884041959 584357270 /nfs/dbraw/zinc/35/72/70/584357270.db2.gz LYOAGNXFBFAABN-RYUDHWBXSA-N 2 0 256.394 -0.278 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[NH2+]CC1(C)C)N1CC[NH+](C)CC1 ZINC000884234951 584368912 /nfs/dbraw/zinc/36/89/12/584368912.db2.gz IVCZNRPKTRULKK-CHWSQXEVSA-N 2 0 282.432 -0.016 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884234996 584369346 /nfs/dbraw/zinc/36/93/46/584369346.db2.gz KGZNLEJENPKKPZ-YPMHNXCESA-N 2 0 268.405 -0.134 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000884238944 584369607 /nfs/dbraw/zinc/36/96/07/584369607.db2.gz KOUFIHNLUYUWCQ-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H](C[NH3+])NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884252014 584370200 /nfs/dbraw/zinc/37/02/00/584370200.db2.gz ZEBLWZBEBOKFGO-SNVBAGLBSA-N 2 0 263.345 -0.432 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000884286545 584372135 /nfs/dbraw/zinc/37/21/35/584372135.db2.gz GWERPTMJZMNOCA-RYUDHWBXSA-N 2 0 285.388 -0.016 20 0 CBADRP [NH3+][C@@H](CC1CC1)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000884285997 584372165 /nfs/dbraw/zinc/37/21/65/584372165.db2.gz WBLMQSXMXCKAAD-OLZOCXBDSA-N 2 0 266.389 -0.380 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000884286544 584372206 /nfs/dbraw/zinc/37/22/06/584372206.db2.gz GWERPTMJZMNOCA-NWDGAFQWSA-N 2 0 285.388 -0.016 20 0 CBADRP [NH3+][C@H](CC1CC1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000884289162 584372252 /nfs/dbraw/zinc/37/22/52/584372252.db2.gz VDFUGSWXBRXKHX-CHWSQXEVSA-N 2 0 266.389 -0.380 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000884286701 584372308 /nfs/dbraw/zinc/37/23/08/584372308.db2.gz JSXIDRBEYPCRDX-GHMZBOCLSA-N 2 0 269.345 -0.523 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000884308833 584373004 /nfs/dbraw/zinc/37/30/04/584373004.db2.gz FBOLKDDCEBPSBW-OLZOCXBDSA-N 2 0 287.404 -0.081 20 0 CBADRP COC1(C(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)CC[NH2+]CC1 ZINC000884348240 584375804 /nfs/dbraw/zinc/37/58/04/584375804.db2.gz RNIBCEFTBJLQDV-ZJUUUORDSA-N 2 0 255.362 -0.003 20 0 CBADRP COC1(C(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)CC[NH2+]CC1 ZINC000884348237 584375806 /nfs/dbraw/zinc/37/58/06/584375806.db2.gz RNIBCEFTBJLQDV-NXEZZACHSA-N 2 0 255.362 -0.003 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000884358560 584376186 /nfs/dbraw/zinc/37/61/86/584376186.db2.gz SFUXEHFXLGJBIY-VXGBXAGGSA-N 2 0 268.405 -0.134 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000884363856 584376715 /nfs/dbraw/zinc/37/67/15/584376715.db2.gz JYMBYQAGANRXKW-WTBMIXGQSA-N 2 0 255.362 -0.005 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884577926 584388718 /nfs/dbraw/zinc/38/87/18/584388718.db2.gz OVCPQMGTQILWRZ-AGIUHOORSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884577927 584388745 /nfs/dbraw/zinc/38/87/45/584388745.db2.gz OVCPQMGTQILWRZ-AVGNSLFASA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000884576192 584388783 /nfs/dbraw/zinc/38/87/83/584388783.db2.gz BNJJEEWICBSHKQ-STQMWFEESA-N 2 0 296.415 -0.217 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)C1CC1 ZINC000884601526 584389655 /nfs/dbraw/zinc/38/96/55/584389655.db2.gz NYNHXTGTZMNQIR-GHMZBOCLSA-N 2 0 282.388 -0.465 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884601743 584389674 /nfs/dbraw/zinc/38/96/74/584389674.db2.gz UQPJEQYFPPRFPA-SDDRHHMPSA-N 2 0 284.404 -0.219 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)C1CC1 ZINC000884601306 584389737 /nfs/dbraw/zinc/38/97/37/584389737.db2.gz HJUVVAWLYJYWSZ-VXGBXAGGSA-N 2 0 296.415 -0.360 20 0 CBADRP CCN(C(=O)C(=O)NCC[N@H+](CC)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000884601215 584389746 /nfs/dbraw/zinc/38/97/46/584389746.db2.gz DVSWEDFLLJNDBJ-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[N@H+](C)C1CC1 ZINC000884616784 584391037 /nfs/dbraw/zinc/39/10/37/584391037.db2.gz BRWFWNGAWYQFGT-SCVCMEIPSA-N 2 0 280.372 -0.842 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)[N@H+](C)C1CC1 ZINC000884617520 584391240 /nfs/dbraw/zinc/39/12/40/584391240.db2.gz NKSUEWPVQLEXRL-GRYCIOLGSA-N 2 0 296.415 -0.362 20 0 CBADRP C[C@H](NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000884623727 584391463 /nfs/dbraw/zinc/39/14/63/584391463.db2.gz MPSYAHJJNMSTPV-MDZLAQPJSA-N 2 0 294.399 -0.299 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000884627409 584391632 /nfs/dbraw/zinc/39/16/32/584391632.db2.gz OYOUTNXKIGMMQE-DGCLKSJQSA-N 2 0 294.399 -0.463 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000884627410 584391666 /nfs/dbraw/zinc/39/16/66/584391666.db2.gz OYOUTNXKIGMMQE-WCQYABFASA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000884627598 584391978 /nfs/dbraw/zinc/39/19/78/584391978.db2.gz VQTAUMLGGQSTDF-IJLUTSLNSA-N 2 0 294.399 -0.465 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884669805 584393736 /nfs/dbraw/zinc/39/37/36/584393736.db2.gz HMPKVGKZKOUYMF-CYDGBPFRSA-N 2 0 292.383 -0.698 20 0 CBADRP CC(C)([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000884669694 584393766 /nfs/dbraw/zinc/39/37/66/584393766.db2.gz DFHUGBXOAHSSKL-RYUDHWBXSA-N 2 0 296.415 -0.027 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCC1(C)C ZINC000884677798 584395145 /nfs/dbraw/zinc/39/51/45/584395145.db2.gz DTZAQZIIYTZFDE-LLVKDONJSA-N 2 0 282.388 -0.593 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC[C@H]21 ZINC000884678320 584395154 /nfs/dbraw/zinc/39/51/54/584395154.db2.gz WYXAWPXKWCIXBD-IJLUTSLNSA-N 2 0 280.372 -0.983 20 0 CBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@H](C)[NH3+])CC1 ZINC000884685987 584396100 /nfs/dbraw/zinc/39/61/00/584396100.db2.gz VXASOQAFANIRLT-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884687664 584396610 /nfs/dbraw/zinc/39/66/10/584396610.db2.gz DHKYVGDPTSKUJT-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CCC1(C)C ZINC000884689085 584397072 /nfs/dbraw/zinc/39/70/72/584397072.db2.gz YJODPGAZHAOKAE-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884704689 584399136 /nfs/dbraw/zinc/39/91/36/584399136.db2.gz PFJVQKYSFISWNM-VWYCJHECSA-N 2 0 268.361 -0.998 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884705317 584399426 /nfs/dbraw/zinc/39/94/26/584399426.db2.gz PFJVQKYSFISWNM-AXFHLTTASA-N 2 0 268.361 -0.998 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884729210 584401017 /nfs/dbraw/zinc/40/10/17/584401017.db2.gz KMOARLMMPYVJDW-ZDEQEGDKSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884729208 584401092 /nfs/dbraw/zinc/40/10/92/584401092.db2.gz KMOARLMMPYVJDW-RVMXOQNASA-N 2 0 296.415 -0.219 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000884779416 584402255 /nfs/dbraw/zinc/40/22/55/584402255.db2.gz WYXAWPXKWCIXBD-SRVKXCTJSA-N 2 0 280.372 -0.983 20 0 CBADRP CCN(CCC(=O)N1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000886848906 584448020 /nfs/dbraw/zinc/44/80/20/584448020.db2.gz TXAQTKCFNMCDJA-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP CC[C@H](C)[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)C(N)=O ZINC000887055799 584459330 /nfs/dbraw/zinc/45/93/30/584459330.db2.gz MPBPVTDGYHWRFV-GWCFXTLKSA-N 2 0 284.404 -0.314 20 0 CBADRP CCN(C(=O)C(=O)N(C)CC[NH+]1CCCC1)[C@H]1CC[NH2+]C1 ZINC000887066241 584460877 /nfs/dbraw/zinc/46/08/77/584460877.db2.gz HMHGTSRXHVWYSS-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCN3CCC4)C[C@]2(C)C1 ZINC000887930778 584477863 /nfs/dbraw/zinc/47/78/63/584477863.db2.gz WRSJIVNGNJKBNH-FMKPAKJESA-N 2 0 292.427 -0.214 20 0 CBADRP C[NH+](C)CCn1nccc1NC(=O)NCC[N@H+](C)CCO ZINC000888254882 584487274 /nfs/dbraw/zinc/48/72/74/584487274.db2.gz BTVKSGZCVGKRMK-UHFFFAOYSA-N 2 0 298.391 -0.510 20 0 CBADRP C[C@@H](C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)[NH+](C)C ZINC000889744160 584534859 /nfs/dbraw/zinc/53/48/59/584534859.db2.gz KPDBETSABZAPMX-RWMBFGLXSA-N 2 0 269.389 -0.006 20 0 CBADRP C[NH+](C)CCNc1cc(C(N)=O)nc(NCC[NH+](C)C)n1 ZINC000891418279 584580869 /nfs/dbraw/zinc/58/08/69/584580869.db2.gz YXKKVHDTAMXBEQ-UHFFFAOYSA-N 2 0 295.391 -0.478 20 0 CBADRP CCN(C(=O)NCC[N@H+](C)CCOC)[C@@H]1CC[NH2+]C1 ZINC000891493174 584582529 /nfs/dbraw/zinc/58/25/29/584582529.db2.gz NDJCAEKOVKOFKQ-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891493180 584582617 /nfs/dbraw/zinc/58/26/17/584582617.db2.gz NIDCWYHWFWMYRI-TXEJJXNPSA-N 2 0 270.377 -0.290 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000891540078 584584940 /nfs/dbraw/zinc/58/49/40/584584940.db2.gz LWDUQKNHAGROLZ-QWHCGFSZSA-N 2 0 283.420 -0.245 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000891576693 584586874 /nfs/dbraw/zinc/58/68/74/584586874.db2.gz NETSMVRWRAWWMU-WOPDTQHZSA-N 2 0 268.361 -0.537 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891841979 584593060 /nfs/dbraw/zinc/59/30/60/584593060.db2.gz OXNBVSXRIOGYHG-TXEJJXNPSA-N 2 0 270.377 -0.290 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000891916325 584594087 /nfs/dbraw/zinc/59/40/87/584594087.db2.gz BOWBDVYNUHRMQR-TXEJJXNPSA-N 2 0 270.377 -0.255 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCC[N@@H+]1CCCOCC1)C2 ZINC000891918839 584594300 /nfs/dbraw/zinc/59/43/00/584594300.db2.gz NGACQDBWSJWEPB-DZGCQCFKSA-N 2 0 296.415 -0.040 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)NCCCN1CC[NH2+]CC1 ZINC000891968871 584596042 /nfs/dbraw/zinc/59/60/42/584596042.db2.gz POFFWYWEBVCNEF-UHFFFAOYSA-N 2 0 295.431 -0.053 20 0 CBADRP O=C(CNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2)N1CC[NH2+]CC1 ZINC000891969874 584596108 /nfs/dbraw/zinc/59/61/08/584596108.db2.gz CEIMISITJHHCQS-FZMZJTMJSA-N 2 0 295.387 -0.998 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCCN1CC[NH2+]CC1 ZINC000891972290 584596277 /nfs/dbraw/zinc/59/62/77/584596277.db2.gz CIFSGLBTZFXLKQ-WDEREUQCSA-N 2 0 255.366 -0.977 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000891972350 584596300 /nfs/dbraw/zinc/59/63/00/584596300.db2.gz FHLQRRYGEFPZFN-CYBMUJFWSA-N 2 0 297.447 -0.031 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000891971544 584596309 /nfs/dbraw/zinc/59/63/09/584596309.db2.gz WKEJQBGQFDLIEL-HAQNSBGRSA-N 2 0 297.403 -0.765 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000891971419 584596333 /nfs/dbraw/zinc/59/63/33/584596333.db2.gz VFISLJVDNJIHAQ-UHFFFAOYSA-N 2 0 295.387 -0.917 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)NCCN1CC[NH2+]CC1 ZINC000891973390 584596561 /nfs/dbraw/zinc/59/65/61/584596561.db2.gz SYVQGFWNDGFQSV-UHFFFAOYSA-N 2 0 281.404 -0.443 20 0 CBADRP [NH3+][C@H]1CCCCCN(C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000891973901 584596654 /nfs/dbraw/zinc/59/66/54/584596654.db2.gz ZSZSPYPCRDAHQT-ZDUSSCGKSA-N 2 0 283.420 -0.196 20 0 CBADRP COCCN(CC1CC[NH+](C)CC1)C(=O)NCC[NH3+] ZINC000891976925 584596906 /nfs/dbraw/zinc/59/69/06/584596906.db2.gz QJRMOKDSOZXPRZ-UHFFFAOYSA-N 2 0 272.393 -0.055 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCC[NH2+]C2CC2)C1 ZINC000891989667 584597564 /nfs/dbraw/zinc/59/75/64/584597564.db2.gz XSWDNUIGCFEXBG-LBPRGKRZSA-N 2 0 284.404 -0.117 20 0 CBADRP C[NH2+]CCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891993800 584597878 /nfs/dbraw/zinc/59/78/78/584597878.db2.gz LFPAJWYDBFRMOA-LLVKDONJSA-N 2 0 270.377 -0.336 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@H]1CCC[NH2+]C1)C2 ZINC000892016844 584599148 /nfs/dbraw/zinc/59/91/48/584599148.db2.gz MHPDSFFCFZSKGS-GMXVVIOVSA-N 2 0 252.362 -0.011 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000892055950 584602180 /nfs/dbraw/zinc/60/21/80/584602180.db2.gz NTDDCFGVFQYXAS-YPMHNXCESA-N 2 0 270.377 -0.194 20 0 CBADRP C[C@H](C[NH3+])NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892060990 584602583 /nfs/dbraw/zinc/60/25/83/584602583.db2.gz BUMWNRYHYNRJGB-GHMZBOCLSA-N 2 0 270.377 -0.209 20 0 CBADRP COCCC1(NC(=O)NC[C@@H](C)[NH3+])CC[NH2+]CC1 ZINC000892102972 584604856 /nfs/dbraw/zinc/60/48/56/584604856.db2.gz LPQRDTVHDHZJML-SNVBAGLBSA-N 2 0 258.366 -0.209 20 0 CBADRP [NH3+]C/C=C\CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892122399 584605543 /nfs/dbraw/zinc/60/55/43/584605543.db2.gz OILMFUGMTSFRRB-UDSFMNFJSA-N 2 0 282.388 -0.041 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000892140980 584605871 /nfs/dbraw/zinc/60/58/71/584605871.db2.gz GIEOHUNKTKKGPZ-VWYCJHECSA-N 2 0 272.393 -0.134 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000892168573 584607166 /nfs/dbraw/zinc/60/71/66/584607166.db2.gz JRBOEZVWTSMBCP-SCRDCRAPSA-N 2 0 282.388 -0.051 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000892168570 584607178 /nfs/dbraw/zinc/60/71/78/584607178.db2.gz JRBOEZVWTSMBCP-OUCADQQQSA-N 2 0 282.388 -0.051 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892178481 584607677 /nfs/dbraw/zinc/60/76/77/584607677.db2.gz DNWMRBNBDYBTQI-AXFHLTTASA-N 2 0 254.334 -0.879 20 0 CBADRP [NH3+][C@H]1CCCCCN(C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000892179109 584607762 /nfs/dbraw/zinc/60/77/62/584607762.db2.gz GNZGGQXCDYJPBE-NWDGAFQWSA-N 2 0 270.377 -0.112 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3C[NH2+]CCO3)CC[C@H]21 ZINC000892181829 584608116 /nfs/dbraw/zinc/60/81/16/584608116.db2.gz VYBQNEGMFJJKGG-JHJVBQTASA-N 2 0 282.388 -0.290 20 0 CBADRP [NH3+]C1(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCOCC1 ZINC000892278978 584611840 /nfs/dbraw/zinc/61/18/40/584611840.db2.gz JOCAQUOPYKLIHF-UWVGGRQHSA-N 2 0 254.334 -0.750 20 0 CBADRP C[NH2+]CCOCCNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000892279746 584611915 /nfs/dbraw/zinc/61/19/15/584611915.db2.gz BFHBJRVZWZZKCF-SNVBAGLBSA-N 2 0 294.346 -0.234 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000892282033 584612027 /nfs/dbraw/zinc/61/20/27/584612027.db2.gz KCEVUARZJJRBDO-OLZOCXBDSA-N 2 0 284.404 -0.042 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892283537 584612080 /nfs/dbraw/zinc/61/20/80/584612080.db2.gz RCFBJOZDPOCCHR-PHIMTYICSA-N 2 0 256.350 -0.632 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[NH2+]CCC12CCC2 ZINC000892288665 584612796 /nfs/dbraw/zinc/61/27/96/584612796.db2.gz DZWAVDARRFJGCX-GFCCVEGCSA-N 2 0 282.388 -0.098 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC[C@H]1COCC[NH2+]1)C2 ZINC000892289453 584613235 /nfs/dbraw/zinc/61/32/35/584613235.db2.gz MAWSETLWYIWYAV-GMXVVIOVSA-N 2 0 268.361 -0.774 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000892290737 584613311 /nfs/dbraw/zinc/61/33/11/584613311.db2.gz SEUOWBGIVKZHAV-WOPDTQHZSA-N 2 0 268.361 -0.489 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000892289823 584613343 /nfs/dbraw/zinc/61/33/43/584613343.db2.gz CKJHLDPUFQVLDZ-VXGBXAGGSA-N 2 0 270.377 -0.112 20 0 CBADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H]1COCC[NH2+]1 ZINC000892290820 584613585 /nfs/dbraw/zinc/61/35/85/584613585.db2.gz UQUPODKYMNHURZ-YVECIDJPSA-N 2 0 282.388 -0.195 20 0 CBADRP CN1CCN(C(=O)NC[C@@H]2CCC[NH+]2C)CC[N@H+](C)CC1 ZINC000892330297 584615141 /nfs/dbraw/zinc/61/51/41/584615141.db2.gz HUCHBDBEZDMUGY-AWEZNQCLSA-N 2 0 297.447 -0.031 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000892435292 584616683 /nfs/dbraw/zinc/61/66/83/584616683.db2.gz VGZRMAIOKKCDOL-XDQVBPFNSA-N 2 0 296.415 -0.036 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNc1cc[nH+]cc1CO ZINC000892468348 584617097 /nfs/dbraw/zinc/61/70/97/584617097.db2.gz SANMJUOYOZCALS-GFCCVEGCSA-N 2 0 250.346 -0.347 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892548031 584618026 /nfs/dbraw/zinc/61/80/26/584618026.db2.gz JLKIVQYICUSFBB-TXEJJXNPSA-N 2 0 299.419 -0.615 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000892549145 584618470 /nfs/dbraw/zinc/61/84/70/584618470.db2.gz ORMKYWFOCRPRLE-XQQFMLRXSA-N 2 0 281.404 -0.587 20 0 CBADRP CCO[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000892549607 584618485 /nfs/dbraw/zinc/61/84/85/584618485.db2.gz YHOIKXRFBVDYIH-WISYIIOYSA-N 2 0 270.377 -0.271 20 0 CBADRP CN1CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000892568548 584619349 /nfs/dbraw/zinc/61/93/49/584619349.db2.gz WHMOZHWTAJZKDB-GMTAPVOTSA-N 3 0 255.366 -0.992 20 0 CBADRP CN1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C[NH3+])C1 ZINC000892586887 584620100 /nfs/dbraw/zinc/62/01/00/584620100.db2.gz GDRCRXUJBFGIMH-CRWXNKLISA-N 2 0 295.431 -0.199 20 0 CBADRP Cc1cc(N)nc(N2CCN(CC[NH+](C)C)C(=O)C2)[nH+]1 ZINC000894382376 584657063 /nfs/dbraw/zinc/65/70/63/584657063.db2.gz NGGBKJNRLGRRPL-UHFFFAOYSA-N 2 0 278.360 -0.423 20 0 CBADRP C[NH+](C)C1(C)CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000894848176 584665878 /nfs/dbraw/zinc/66/58/78/584665878.db2.gz JFHSOZIGSSNSOM-UHFFFAOYSA-N 2 0 251.338 -0.044 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000896260379 584695043 /nfs/dbraw/zinc/69/50/43/584695043.db2.gz YUPXYEUXLUORAQ-UONOGXRCSA-N 2 0 297.399 -0.456 20 0 CBADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)[C@H]1C[NH+](C)CCN1C ZINC000896529268 584700513 /nfs/dbraw/zinc/70/05/13/584700513.db2.gz AGLUWHSHXFXRST-YNEHKIRRSA-N 2 0 268.405 -0.169 20 0 CBADRP C[C@H](NC(=O)[C@H](C)[NH+](C)C)[C@H]1C[N@H+](C)CCN1C ZINC000896531565 584701261 /nfs/dbraw/zinc/70/12/61/584701261.db2.gz PSWNUTWWUHKTGA-SDDRHHMPSA-N 2 0 256.394 -0.313 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NC[C@H]1CN2CCN1CC2 ZINC000897146453 584709038 /nfs/dbraw/zinc/70/90/38/584709038.db2.gz SWPUELPKVFFIDF-QWHCGFSZSA-N 2 0 280.416 -0.025 20 0 CBADRP O=C(NCC[NH+]1CCC1)C1C[NH+](C2CCOCC2)C1 ZINC000897170217 584709432 /nfs/dbraw/zinc/70/94/32/584709432.db2.gz PEEKMMDMACOSFZ-UHFFFAOYSA-N 2 0 267.373 -0.081 20 0 CBADRP C[NH+](C)C1CC(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000897666868 584722405 /nfs/dbraw/zinc/72/24/05/584722405.db2.gz GFORTUUDZOXYBB-OTTFEQOBSA-N 2 0 267.373 -0.084 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)C1C[NH+](C2CCOCC2)C1 ZINC000899144824 584751196 /nfs/dbraw/zinc/75/11/96/584751196.db2.gz AUHJKLRNNKSCIX-CQSZACIVSA-N 2 0 297.399 -0.720 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)C1C[NH+](C2CCOCC2)C1 ZINC000899153195 584751756 /nfs/dbraw/zinc/75/17/56/584751756.db2.gz AUHJKLRNNKSCIX-AWEZNQCLSA-N 2 0 297.399 -0.720 20 0 CBADRP CCO[C@@H](CNC(=S)NCC[NH+](C)C)C[NH+](C)C ZINC000899567715 584760490 /nfs/dbraw/zinc/76/04/90/584760490.db2.gz ZMFINYKLTWWWDZ-NSHDSACASA-N 2 0 276.450 -0.021 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CCO ZINC000899734299 584777116 /nfs/dbraw/zinc/77/71/16/584777116.db2.gz ZRLMIKKHUFWAOS-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000899991635 584787997 /nfs/dbraw/zinc/78/79/97/584787997.db2.gz UTIPBBPHBWWAQT-UHFFFAOYSA-N 2 0 280.416 -0.164 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900383742 584801538 /nfs/dbraw/zinc/80/15/38/584801538.db2.gz XLDMWXXUQGAFQK-HIFRSBDPSA-N 2 0 299.415 -0.332 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000900441819 584804250 /nfs/dbraw/zinc/80/42/50/584804250.db2.gz ODFQNKFLNZIEOU-RGCMKSIDSA-N 2 0 297.399 -0.579 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000900587132 584813924 /nfs/dbraw/zinc/81/39/24/584813924.db2.gz LSGNVPVFPCRZEL-AWEZNQCLSA-N 2 0 299.415 -0.256 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900587330 584813950 /nfs/dbraw/zinc/81/39/50/584813950.db2.gz NJLRTKZPIFMNAE-GXTWGEPZSA-N 2 0 287.404 -0.522 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900625632 584817185 /nfs/dbraw/zinc/81/71/85/584817185.db2.gz XTKAKGIOZODCKZ-DZGCQCFKSA-N 2 0 299.415 -0.330 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900625633 584817354 /nfs/dbraw/zinc/81/73/54/584817354.db2.gz XTKAKGIOZODCKZ-HIFRSBDPSA-N 2 0 299.415 -0.330 20 0 CBADRP C[NH+](C)C1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900631623 584817876 /nfs/dbraw/zinc/81/78/76/584817876.db2.gz AXCUOVKUMAGYKR-JSGCOSHPSA-N 2 0 269.389 -0.006 20 0 CBADRP C[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000900696253 584823053 /nfs/dbraw/zinc/82/30/53/584823053.db2.gz UHXGFWCANUCRQS-UMVBOHGHSA-N 2 0 298.431 -0.806 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CCOCC1 ZINC000900714494 584824244 /nfs/dbraw/zinc/82/42/44/584824244.db2.gz SPEXOMVXWPJIQL-GXTWGEPZSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H]1C[N@H+](C)CCN1C ZINC000900812005 584828376 /nfs/dbraw/zinc/82/83/76/584828376.db2.gz QLMNFFWWMRCTNS-OLZOCXBDSA-N 2 0 268.405 -0.167 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900980532 584836381 /nfs/dbraw/zinc/83/63/81/584836381.db2.gz MGLDESSHCCRSPB-IUODEOHRSA-N 2 0 299.415 -0.332 20 0 CBADRP C[NH+](C)CCOCCNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000901341433 584861912 /nfs/dbraw/zinc/86/19/12/584861912.db2.gz OCDUVNHCLJGJAS-CQSZACIVSA-N 2 0 287.404 -0.472 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000901342094 584861925 /nfs/dbraw/zinc/86/19/25/584861925.db2.gz YURVPNLAIZTDFI-YPMHNXCESA-N 2 0 273.377 -0.864 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)C1 ZINC000902403002 584876250 /nfs/dbraw/zinc/87/62/50/584876250.db2.gz GDLJHSWYMHLJND-MNOVXSKESA-N 2 0 278.418 -0.240 20 0 CBADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C1 ZINC000902391112 584876392 /nfs/dbraw/zinc/87/63/92/584876392.db2.gz UIOIRFNRDVXUHF-LBPRGKRZSA-N 3 0 268.405 -0.214 20 0 CBADRP COCC(=O)N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903430494 584890320 /nfs/dbraw/zinc/89/03/20/584890320.db2.gz ULLWUVLBSPVZCT-NEPJUHHUSA-N 2 0 255.362 -0.096 20 0 CBADRP CN(C)C(=O)[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCN1 ZINC000903457127 584890629 /nfs/dbraw/zinc/89/06/29/584890629.db2.gz OLJHDYWJRWVTHJ-WOPDTQHZSA-N 2 0 254.378 -0.524 20 0 CBADRP CNC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903464219 584890746 /nfs/dbraw/zinc/89/07/46/584890746.db2.gz DMNJHSVHZWGFCX-GRYCIOLGSA-N 2 0 270.377 -0.256 20 0 CBADRP CNC(=O)NC[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903464220 584890861 /nfs/dbraw/zinc/89/08/61/584890861.db2.gz DMNJHSVHZWGFCX-WOPDTQHZSA-N 2 0 270.377 -0.256 20 0 CBADRP O=C(CCN[C@H]1CC[NH2+]C12CCC2)N1CC[NH2+]CC1 ZINC000903470934 584890943 /nfs/dbraw/zinc/89/09/43/584890943.db2.gz PXJJAFORPVUQRF-LBPRGKRZSA-N 2 0 266.389 -0.318 20 0 CBADRP O=C(CN[C@@H]1CC[NH2+]C12CCC2)N1CC[NH2+]CC1 ZINC000903466487 584891024 /nfs/dbraw/zinc/89/10/24/584891024.db2.gz UIYJXQHBXNNSOC-LLVKDONJSA-N 2 0 252.362 -0.708 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903476238 584891129 /nfs/dbraw/zinc/89/11/29/584891129.db2.gz RIVAVSOITYXIBA-MROQNXINSA-N 2 0 280.372 -0.395 20 0 CBADRP CN1C(=O)[C@H]2C[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C[C@H]2C1=O ZINC000903476284 584891172 /nfs/dbraw/zinc/89/11/72/584891172.db2.gz SWMSKGPMYQZSDF-YTWAJWBKSA-N 2 0 251.330 -0.340 20 0 CBADRP O=C(CN[C@@H]1CC[NH2+]C12CCCC2)N1CC[NH2+]CC1 ZINC000903487675 584891416 /nfs/dbraw/zinc/89/14/16/584891416.db2.gz JHZYMXFLFVBYGS-GFCCVEGCSA-N 2 0 266.389 -0.318 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H](C)C(N)=O)C2 ZINC000903492445 584891623 /nfs/dbraw/zinc/89/16/23/584891623.db2.gz DSVPHPJCAJJIIY-SREGZZRCSA-N 2 0 255.318 -0.928 20 0 CBADRP CC(C)[C@](C)(C[NH3+])NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000903492077 584891664 /nfs/dbraw/zinc/89/16/64/584891664.db2.gz BJXCONNERNXCQS-QWRGUYRKSA-N 2 0 279.406 -0.732 20 0 CBADRP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903497194 584892003 /nfs/dbraw/zinc/89/20/03/584892003.db2.gz PPPMLHBOUJMXCT-GHMZBOCLSA-N 2 0 263.407 -0.158 20 0 CBADRP [NH3+]C[C@]12CC[C@@H]1CCCN2S(=O)(=O)N1CC[NH2+]CC1 ZINC000903531441 584892748 /nfs/dbraw/zinc/89/27/48/584892748.db2.gz MBVXDXSFRDWRAX-NWDGAFQWSA-N 2 0 288.417 -0.660 20 0 CBADRP CN(C1(C[NH3+])CCOCC1)S(=O)(=O)CCC[NH+](C)C ZINC000903539941 584892803 /nfs/dbraw/zinc/89/28/03/584892803.db2.gz HACCWTKSHAXCQQ-UHFFFAOYSA-N 2 0 293.433 -0.292 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC[C@@]12CC[NH2+]C2 ZINC000903593180 584894341 /nfs/dbraw/zinc/89/43/41/584894341.db2.gz XKNAZGYZFTYMAP-RYUDHWBXSA-N 2 0 289.401 -0.868 20 0 CBADRP CN1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1=O ZINC000903728905 584896121 /nfs/dbraw/zinc/89/61/21/584896121.db2.gz HBSMCTCDHGBZKK-WCQYABFASA-N 2 0 253.346 -0.471 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000903735127 584896531 /nfs/dbraw/zinc/89/65/31/584896531.db2.gz IBNJAIACZUDCMR-NEPJUHHUSA-N 2 0 296.415 -0.265 20 0 CBADRP CN(C)C(=O)[C@@H]1C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903756445 584897695 /nfs/dbraw/zinc/89/76/95/584897695.db2.gz RUGYCPYMYBTXDG-IPYPFGDCSA-N 2 0 296.415 -0.883 20 0 CBADRP CN(C)C(=O)NCC[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903756054 584897708 /nfs/dbraw/zinc/89/77/08/584897708.db2.gz ONZTXJRYPPOGSI-TZMCWYRMSA-N 2 0 284.404 -0.042 20 0 CBADRP CC(=O)N[C@@H]1CC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903768649 584897950 /nfs/dbraw/zinc/89/79/50/584897950.db2.gz OHZDIXBXQWIGEC-HZSPNIEDSA-N 2 0 267.373 -0.035 20 0 CBADRP Cn1cc([C@@H]2CN(C[C@@H](O)C[NH+]3CCCC3)C[C@H]2[NH3+])cn1 ZINC000903764509 584897972 /nfs/dbraw/zinc/89/79/72/584897972.db2.gz TTWSHIYKFVOHMS-SOUVJXGZSA-N 2 0 293.415 -0.397 20 0 CBADRP Cn1cc([C@@H]2CN(C[C@H](O)C[NH+]3CCCC3)C[C@H]2[NH3+])cn1 ZINC000903764508 584898021 /nfs/dbraw/zinc/89/80/21/584898021.db2.gz TTWSHIYKFVOHMS-QLFBSQMISA-N 2 0 293.415 -0.397 20 0 CBADRP O[C@@H]1C[C@H]2CN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CC[N@@H+]2C1 ZINC000903767514 584898038 /nfs/dbraw/zinc/89/80/38/584898038.db2.gz GQTWUGJCSYCXMU-RRFJBIMHSA-N 2 0 295.427 -0.104 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903768043 584898093 /nfs/dbraw/zinc/89/80/93/584898093.db2.gz PWBUHZQDMXIZJI-NWDGAFQWSA-N 2 0 296.415 -0.265 20 0 CBADRP OCC[NH2+][C@@H]1CCCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903770304 584898458 /nfs/dbraw/zinc/89/84/58/584898458.db2.gz FQMDXYLFYSWREN-QLFBSQMISA-N 2 0 283.416 -0.199 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903787449 584899704 /nfs/dbraw/zinc/89/97/04/584899704.db2.gz WQWZYAXVCMZQES-MGPQQGTHSA-N 2 0 269.389 -0.459 20 0 CBADRP CC[N@H+](CCC(N)=O)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903786208 584899742 /nfs/dbraw/zinc/89/97/42/584899742.db2.gz GGPIFJJDGMOGSB-DGCLKSJQSA-N 2 0 255.362 -0.048 20 0 CBADRP CC[N@H+](CCC(N)=O)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903786207 584899758 /nfs/dbraw/zinc/89/97/58/584899758.db2.gz GGPIFJJDGMOGSB-AAEUAGOBSA-N 2 0 255.362 -0.048 20 0 CBADRP O=S1(=O)C[C@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)C[C@H]2C1 ZINC000903826889 584900922 /nfs/dbraw/zinc/90/09/22/584900922.db2.gz MRFNBVSZEOBQEO-SDDRHHMPSA-N 2 0 258.387 -0.038 20 0 CBADRP NC(=O)[C@]12CCC[C@H]1C[N@@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000903826489 584900992 /nfs/dbraw/zinc/90/09/92/584900992.db2.gz KKLLFFVJGZOPSH-XGZQDADWSA-N 2 0 253.346 -0.576 20 0 CBADRP C[C@@](Cn1cccn1)([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)C(N)=O ZINC000903829607 584901141 /nfs/dbraw/zinc/90/11/41/584901141.db2.gz IHQSTMAZMLENSB-AAEUAGOBSA-N 2 0 293.371 -0.762 20 0 CBADRP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000903830146 584901188 /nfs/dbraw/zinc/90/11/88/584901188.db2.gz USZKYEOKZYDWJU-FRRDWIJNSA-N 2 0 268.357 -0.145 20 0 CBADRP C[C@H]1CCOCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000903832440 584901400 /nfs/dbraw/zinc/90/14/00/584901400.db2.gz RRSNPBZTLWKCMD-LBPRGKRZSA-N 2 0 255.362 -0.081 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCN1CCCS1(=O)=O)C2 ZINC000903840183 584901723 /nfs/dbraw/zinc/90/17/23/584901723.db2.gz OYLZXJONXKSOCO-TUAOUCFPSA-N 2 0 273.402 -0.167 20 0 CBADRP C[C@H]1CN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000903873498 584902876 /nfs/dbraw/zinc/90/28/76/584902876.db2.gz IXPDEMDALKFWGI-RYUDHWBXSA-N 2 0 264.377 -0.004 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000903873831 584902932 /nfs/dbraw/zinc/90/29/32/584902932.db2.gz MNBKNYUILPASIY-UWVGGRQHSA-N 2 0 278.347 -0.244 20 0 CBADRP Cc1c(C[C@H](C[NH3+])CN2CCO[C@@H]([C@@H](C)[NH3+])C2)cnn1C ZINC000903873518 584902977 /nfs/dbraw/zinc/90/29/77/584902977.db2.gz JBEVKAVXVWNXFX-UXIGCNINSA-N 2 0 295.431 -0.106 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1Cc1nc(C(C)(C)[NH3+])no1 ZINC000903875958 584903368 /nfs/dbraw/zinc/90/33/68/584903368.db2.gz URYZSLUNRPAHMU-VIFPVBQESA-N 2 0 269.349 -0.316 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903880486 584903650 /nfs/dbraw/zinc/90/36/50/584903650.db2.gz JHOMJGKLFQLZOW-NEPJUHHUSA-N 2 0 255.362 -0.572 20 0 CBADRP Cc1c(C[C@@H](C[NH3+])C[N@H+](CCO)CCCO)cnn1C ZINC000903891775 584904115 /nfs/dbraw/zinc/90/41/15/584904115.db2.gz CRZGJVPNGCXXHZ-ZDUSSCGKSA-N 2 0 284.404 -0.477 20 0 CBADRP C[C@@]1(C(N)=O)CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903909858 584904356 /nfs/dbraw/zinc/90/43/56/584904356.db2.gz HHHSQZBOSCEBGM-BXUZGUMPSA-N 2 0 292.387 -0.100 20 0 CBADRP Cc1c(C[C@@H](C[NH3+])CN2CCO[C@@H](C[NH3+])C2)cnn1C ZINC000903905624 584904422 /nfs/dbraw/zinc/90/44/22/584904422.db2.gz KBQMZWMBRZFHAV-JSGCOSHPSA-N 2 0 281.404 -0.495 20 0 CBADRP Cc1c(C[C@@H](C[NH3+])CN2C[C@H]3C[NH2+]C[C@H]3C2)cnn1C ZINC000903906845 584904475 /nfs/dbraw/zinc/90/44/75/584904475.db2.gz ZMPOPIQZCBAMPD-AEGPPILISA-N 2 0 277.416 -0.003 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C[C@@H]([NH3+])CC(F)F ZINC000903915893 584904521 /nfs/dbraw/zinc/90/45/21/584904521.db2.gz DFCVKLXZLMZDGI-DTWKUNHWSA-N 2 0 265.304 -0.194 20 0 CBADRP Cc1c(C[C@@H](C[NH3+])C[NH2+]CCN2CC[NH2+]CC2)cnn1C ZINC000903918665 584904799 /nfs/dbraw/zinc/90/47/99/584904799.db2.gz DZMQRIAWIVCEOS-AWEZNQCLSA-N 3 0 294.447 -0.659 20 0 CBADRP Cc1c(C[C@H](C[NH3+])CN2CCCO[C@H](C[NH3+])C2)cnn1C ZINC000903930273 584904801 /nfs/dbraw/zinc/90/48/01/584904801.db2.gz WDBKDTVPYBYDFR-UKRRQHHQSA-N 2 0 295.431 -0.104 20 0 CBADRP C[C@@H]([NH3+])CN(C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903935481 584904856 /nfs/dbraw/zinc/90/48/56/584904856.db2.gz QIILBGUPGHQVMY-MNOVXSKESA-N 2 0 252.366 -0.018 20 0 CBADRP Cn1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(=O)n(C)c1=O ZINC000903959138 584905143 /nfs/dbraw/zinc/90/51/43/584905143.db2.gz BHBJQLNGYUUTCI-QWRGUYRKSA-N 2 0 266.345 -0.557 20 0 CBADRP C[C@@H]1C[C@H](C[NH2+]CC[C@H]2CNCCS2(=O)=O)CC[NH2+]1 ZINC000903970528 584905463 /nfs/dbraw/zinc/90/54/63/584905463.db2.gz YNIDDLCLELWLOA-UPJWGTAASA-N 2 0 289.445 -0.259 20 0 CBADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[NH+](C)C ZINC000968996513 614074650 /nfs/dbraw/zinc/07/46/50/614074650.db2.gz JCGOVZLUFYSQCT-UPJWGTAASA-N 2 0 296.415 -0.348 20 0 CBADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC000968990160 614074807 /nfs/dbraw/zinc/07/48/07/614074807.db2.gz VUEPKXXTDFNNLN-UTUOFQBUSA-N 2 0 284.404 -0.363 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000961792346 614541081 /nfs/dbraw/zinc/54/10/81/614541081.db2.gz XFNQOCXMZNENEN-IMRBUKKESA-N 2 0 281.400 -0.243 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC000969991135 615375060 /nfs/dbraw/zinc/37/50/60/615375060.db2.gz DWJKELZPDUEUQN-ZJUUUORDSA-N 2 0 256.350 -0.998 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980405562 615391962 /nfs/dbraw/zinc/39/19/62/615391962.db2.gz KDXCGVYVWQLKOV-OLZOCXBDSA-N 2 0 296.415 -0.121 20 0 CBADRP CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958593918 615405547 /nfs/dbraw/zinc/40/55/47/615405547.db2.gz CZLWPCQSINYIOL-RYUDHWBXSA-N 2 0 267.373 -0.489 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC000969076891 615603113 /nfs/dbraw/zinc/60/31/13/615603113.db2.gz FANLVGJIIJWUMC-FRRDWIJNSA-N 2 0 296.415 -0.252 20 0 CBADRP C[N@H+](CCO)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972740522 616109652 /nfs/dbraw/zinc/10/96/52/616109652.db2.gz OJLOQVGTVRJIJA-GFCCVEGCSA-N 2 0 267.373 -0.393 20 0 CBADRP C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@H]2CCc3cncn3C2)C1 ZINC000971818469 616110966 /nfs/dbraw/zinc/11/09/66/616110966.db2.gz ORHBSQOXNPOYMG-GXTWGEPZSA-N 2 0 292.383 -0.030 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC[C@H]([N@H+](C)CCO)C2)CCC1 ZINC000971673955 616112538 /nfs/dbraw/zinc/11/25/38/616112538.db2.gz KWROMKGGXATYCP-LBPRGKRZSA-N 2 0 269.389 -0.004 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCO)C1)C1CC1 ZINC000971677376 616113147 /nfs/dbraw/zinc/11/31/47/616113147.db2.gz JQNDZBQUTKJZOV-QWHCGFSZSA-N 2 0 269.389 -0.148 20 0 CBADRP C[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC000969799700 616166654 /nfs/dbraw/zinc/16/66/54/616166654.db2.gz IVDBCJHLCIPQNQ-LLVKDONJSA-N 2 0 268.361 -0.996 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000978353817 616183812 /nfs/dbraw/zinc/18/38/12/616183812.db2.gz WOVYARWLERBDBO-FQUUOJAGSA-N 2 0 281.400 -0.243 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000967924878 616209878 /nfs/dbraw/zinc/20/98/78/616209878.db2.gz JZGDZGMEZXULLK-OLZOCXBDSA-N 2 0 292.387 -0.437 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCC[NH+](CCO)C3)C1 ZINC000982150671 616264459 /nfs/dbraw/zinc/26/44/59/616264459.db2.gz PLUKJKYCOWDOLS-CYBMUJFWSA-N 2 0 281.400 -0.145 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944919733 616614008 /nfs/dbraw/zinc/61/40/08/616614008.db2.gz QGUDLHKOOQFVMJ-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)C3C[NH2+]C3)CC[C@@H]21 ZINC000923665643 658388287 /nfs/dbraw/zinc/38/82/87/658388287.db2.gz GABJLEDRGDTIFJ-KOLCDFICSA-N 2 0 259.375 -0.686 20 0 CBADRP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CCOCCO ZINC000922111591 657992646 /nfs/dbraw/zinc/99/26/46/657992646.db2.gz YZCQBBBRTFCFFG-CYBMUJFWSA-N 2 0 287.404 -0.615 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CCOCCO)CC[N@@H+]1C ZINC000922111712 657993542 /nfs/dbraw/zinc/99/35/42/657993542.db2.gz AVFIKQFTHAWSRM-CHWSQXEVSA-N 2 0 287.404 -0.617 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923673535 658394744 /nfs/dbraw/zinc/39/47/44/658394744.db2.gz GJJXVMUKDRXBIL-LLVKDONJSA-N 2 0 276.406 -0.790 20 0 CBADRP C[C@@H]1[C@H](NC(=O)NCCOCC[NH+](C)C)CC[N@@H+]1C ZINC000922145264 658008306 /nfs/dbraw/zinc/00/83/06/658008306.db2.gz SFSKYMPLVUNHMS-VXGBXAGGSA-N 2 0 272.393 -0.044 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923674271 658395272 /nfs/dbraw/zinc/39/52/72/658395272.db2.gz POJODDNNMQORQD-GFCCVEGCSA-N 2 0 273.402 -0.246 20 0 CBADRP C[C@@H](C1CC1)N(C(=O)CNC(C[NH3+])C[NH3+])C1CC1 ZINC000923352640 658224242 /nfs/dbraw/zinc/22/42/42/658224242.db2.gz YOXNQGRLWALHOJ-VIFPVBQESA-N 2 0 254.378 -0.349 20 0 CBADRP Cc1ccc(N2CC[C@H](NC(C[NH3+])C[NH3+])C2=O)cc1 ZINC000923351078 658225306 /nfs/dbraw/zinc/22/53/06/658225306.db2.gz GFDBGSKPDLTPLZ-ZDUSSCGKSA-N 2 0 262.357 -0.024 20 0 CBADRP CC(C)COC[C@H](O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000923381827 658245024 /nfs/dbraw/zinc/24/50/24/658245024.db2.gz PWARORZZLKGXGR-GFCCVEGCSA-N 2 0 260.378 -0.195 20 0 CBADRP CC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923378255 658246093 /nfs/dbraw/zinc/24/60/93/658246093.db2.gz TVHSRMOIEJOWSL-MELADBBJSA-N 2 0 296.415 -0.023 20 0 CBADRP COC[C@](C)(CC(=O)OC)[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923376138 658247229 /nfs/dbraw/zinc/24/72/29/658247229.db2.gz JCJYFTYAIRTDCQ-YPMHNXCESA-N 2 0 286.372 -0.077 20 0 CBADRP CS(=O)(=O)NCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923450850 658286190 /nfs/dbraw/zinc/28/61/90/658286190.db2.gz XPQWGVHEZWCNLR-NSHDSACASA-N 2 0 291.417 -0.635 20 0 CBADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923453290 658288340 /nfs/dbraw/zinc/28/83/40/658288340.db2.gz WWZYUXGSZJDCRV-OLZOCXBDSA-N 3 0 271.405 -0.213 20 0 CBADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000923485198 658303903 /nfs/dbraw/zinc/30/39/03/658303903.db2.gz GSSSANFDFRKTCF-GFCCVEGCSA-N 2 0 282.388 -0.604 20 0 CBADRP COC(=O)CCNC(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923484832 658305904 /nfs/dbraw/zinc/30/59/04/658305904.db2.gz OIBCOQNEZHYFHM-JTQLQIEISA-N 2 0 257.334 -0.664 20 0 CBADRP NS(=O)(=O)C[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000923531079 658315487 /nfs/dbraw/zinc/31/54/87/658315487.db2.gz NNSRHKCUPCQKDX-GFCCVEGCSA-N 2 0 275.418 -0.014 20 0 CBADRP O=S(=O)(NC[C@]12CCC[C@H]1[NH2+]CC2)C1C[NH2+]C1 ZINC000923678290 658397537 /nfs/dbraw/zinc/39/75/37/658397537.db2.gz KISIPWAUYXEASI-GHMZBOCLSA-N 2 0 259.375 -0.590 20 0 CBADRP O=S(=O)(NCC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000923563044 658329001 /nfs/dbraw/zinc/32/90/01/658329001.db2.gz PPKBSAPZAXKKKB-LLVKDONJSA-N 2 0 261.391 -0.343 20 0 CBADRP [NH3+]C[C@H]1CCCCN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923565025 658330324 /nfs/dbraw/zinc/33/03/24/658330324.db2.gz DQXDFVGMEZIRQI-GHMZBOCLSA-N 2 0 261.391 -0.119 20 0 CBADRP C[NH2+]C[C@@H]1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923569957 658334208 /nfs/dbraw/zinc/33/42/08/658334208.db2.gz ODDIYEJKPZZPHR-WDEREUQCSA-N 2 0 261.391 -0.391 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923572756 658334636 /nfs/dbraw/zinc/33/46/36/658334636.db2.gz LGTUTPINDDNLCW-GHMZBOCLSA-N 2 0 276.406 -0.804 20 0 CBADRP CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923571573 658334835 /nfs/dbraw/zinc/33/48/35/658334835.db2.gz FBBIXAUICRBBFC-NSHDSACASA-N 2 0 278.422 -0.511 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCC(n2ccnc2)CC1 ZINC000923602375 658347831 /nfs/dbraw/zinc/34/78/31/658347831.db2.gz NEKRRSQYQLFBDR-UHFFFAOYSA-N 2 0 270.358 -0.178 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923618205 658355823 /nfs/dbraw/zinc/35/58/23/658355823.db2.gz KINRBIOOLXKRQU-VXGBXAGGSA-N 2 0 290.433 -0.592 20 0 CBADRP CC(C)[C@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000923637637 658367857 /nfs/dbraw/zinc/36/78/57/658367857.db2.gz XYFPEUOYLOZRHO-NWDGAFQWSA-N 2 0 275.418 -0.002 20 0 CBADRP [NH3+]CC[C@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923639357 658367894 /nfs/dbraw/zinc/36/78/94/658367894.db2.gz LQSACXBFCBCIDW-LLVKDONJSA-N 2 0 276.406 -0.803 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923639130 658368100 /nfs/dbraw/zinc/36/81/00/658368100.db2.gz ZIKMWWIRWIXMHQ-MXWKQRLJSA-N 2 0 261.391 -0.344 20 0 CBADRP C[C@]1(C[NH3+])CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923639224 658368389 /nfs/dbraw/zinc/36/83/89/658368389.db2.gz HVBFGPTZYSZTEQ-WDEREUQCSA-N 2 0 261.391 -0.261 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000923638378 658368721 /nfs/dbraw/zinc/36/87/21/658368721.db2.gz JLHWIZONZUUROZ-UHFFFAOYSA-N 2 0 259.375 -0.637 20 0 CBADRP C[C@@]1(C[NH3+])CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923639222 658369335 /nfs/dbraw/zinc/36/93/35/658369335.db2.gz HVBFGPTZYSZTEQ-MNOVXSKESA-N 2 0 261.391 -0.261 20 0 CBADRP CC1(NS(=O)(=O)[C@@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000923641258 658370126 /nfs/dbraw/zinc/37/01/26/658370126.db2.gz LQOTUGDSKJKBNI-SNVBAGLBSA-N 2 0 261.391 -0.200 20 0 CBADRP O=S(=O)(N[C@H]1CC12CC[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC000923640766 658370881 /nfs/dbraw/zinc/37/08/81/658370881.db2.gz MGOZMJMDKAJYQQ-QWRGUYRKSA-N 2 0 273.402 -0.200 20 0 CBADRP CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923640611 658371071 /nfs/dbraw/zinc/37/10/71/658371071.db2.gz LSBHAEFIFXFIOC-QWRGUYRKSA-N 2 0 261.391 -0.263 20 0 CBADRP O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC000923640767 658371960 /nfs/dbraw/zinc/37/19/60/658371960.db2.gz MGOZMJMDKAJYQQ-WDEREUQCSA-N 2 0 273.402 -0.200 20 0 CBADRP [NH3+]C1(CNS(=O)(=O)[C@H]2CCC[NH2+]C2)CCCC1 ZINC000923654413 658380174 /nfs/dbraw/zinc/38/01/74/658380174.db2.gz HOONKOZGJAHXNO-JTQLQIEISA-N 2 0 261.391 -0.071 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000923655335 658380539 /nfs/dbraw/zinc/38/05/39/658380539.db2.gz NPCHAHPBAXOURD-GFCCVEGCSA-N 2 0 287.429 0.000 20 0 CBADRP CN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923655657 658380966 /nfs/dbraw/zinc/38/09/66/658380966.db2.gz LKVAAYGJLOZORY-LLVKDONJSA-N 2 0 276.406 -0.790 20 0 CBADRP O=S(=O)(N[C@@H]1CC[NH2+]C2(CCC2)C1)C1C[NH2+]C1 ZINC000923656876 658381591 /nfs/dbraw/zinc/38/15/91/658381591.db2.gz VKAXXLQCKVAUBM-SECBINFHSA-N 2 0 259.375 -0.448 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000923665120 658387262 /nfs/dbraw/zinc/38/72/62/658387262.db2.gz BUOKGLLELMQOSY-NEPJUHHUSA-N 2 0 288.417 -0.838 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCN1C)C[NH+]1CCCC1 ZINC000929565169 659141558 /nfs/dbraw/zinc/14/15/58/659141558.db2.gz QCGSURJYUVFZED-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)CCOCCN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924730055 658632522 /nfs/dbraw/zinc/63/25/22/658632522.db2.gz OCDLTNWYUYWVCE-SNVBAGLBSA-N 2 0 272.349 -0.953 20 0 CBADRP C[N@@H+]1CCN(CCN[C@@H]2C[NH2+]CCOC2)CC1(C)C ZINC000925663725 658864273 /nfs/dbraw/zinc/86/42/73/658864273.db2.gz XKERSXGXXCCBRI-CYBMUJFWSA-N 2 0 270.421 -0.410 20 0 CBADRP OCCC[N@@H+]1CCC[C@@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925678531 658864990 /nfs/dbraw/zinc/86/49/90/658864990.db2.gz FPCMPWKKSDXQMB-QWHCGFSZSA-N 2 0 257.378 -0.589 20 0 CBADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000925788095 658871965 /nfs/dbraw/zinc/87/19/65/658871965.db2.gz FURASFPJQWGBGN-VXGBXAGGSA-N 2 0 277.434 -0.130 20 0 CBADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000925788093 658872300 /nfs/dbraw/zinc/87/23/00/658872300.db2.gz FURASFPJQWGBGN-NWDGAFQWSA-N 2 0 277.434 -0.130 20 0 CBADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000925789566 658872369 /nfs/dbraw/zinc/87/23/69/658872369.db2.gz WDXCAKACTOTVRD-AGIUHOORSA-N 2 0 289.445 -0.259 20 0 CBADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CNOC2)CC[NH2+]CC1 ZINC000925868465 658874510 /nfs/dbraw/zinc/87/45/10/658874510.db2.gz ZUGLQZNOQLLQTB-MNOVXSKESA-N 2 0 271.361 -0.199 20 0 CBADRP C(CC[NH2+][C@H]1CNCCOC1)CCN1CC[NH2+]CC1 ZINC000925839243 658874545 /nfs/dbraw/zinc/87/45/45/658874545.db2.gz AOZMWXIXIDNXDP-AWEZNQCLSA-N 2 0 270.421 -0.360 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+]1C ZINC000928449334 659025019 /nfs/dbraw/zinc/02/50/19/659025019.db2.gz QCDDMKNDAWHFOK-UPJWGTAASA-N 2 0 296.415 -0.395 20 0 CBADRP C[C@H](O)[C@H](O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000930501427 659299039 /nfs/dbraw/zinc/29/90/39/659299039.db2.gz BJAPFOMASGCFIW-QWHCGFSZSA-N 2 0 261.410 -0.457 20 0 CBADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)C[C@@]3(O)CCOC3)C[C@@H]2C1 ZINC000931442475 659465092 /nfs/dbraw/zinc/46/50/92/659465092.db2.gz IESBNEVXKKHHEM-QPSCCSFWSA-N 2 0 284.400 -0.228 20 0 CBADRP Cn1c(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc(=O)n(C)c1=O ZINC000931432042 659466252 /nfs/dbraw/zinc/46/62/52/659466252.db2.gz VRHZFPZGTIIXHC-NEPJUHHUSA-N 2 0 292.383 -0.533 20 0 CBADRP C[NH+](C)CC1(O)CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000931485798 659470140 /nfs/dbraw/zinc/47/01/40/659470140.db2.gz FUUCCYDOCGISCA-UHFFFAOYSA-N 2 0 299.415 -0.376 20 0 CBADRP CC(=O)[C@](C)(O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931481418 659470355 /nfs/dbraw/zinc/47/03/55/659470355.db2.gz IAVMMSFCRKDUCK-GFCCVEGCSA-N 2 0 258.362 -0.285 20 0 CBADRP C[C@@H]1NC(=O)N(CC[NH+]2CCC(O)(C[NH+](C)C)CC2)C1=O ZINC000931481560 659472224 /nfs/dbraw/zinc/47/22/24/659472224.db2.gz SQUOOXMESUCDRS-NSHDSACASA-N 2 0 298.387 -0.685 20 0 CBADRP C[C@@H](CC[NH+](C)C)NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000049646517 656020527 /nfs/dbraw/zinc/02/05/27/656020527.db2.gz IBIUUVCZSMNWFN-WDEREUQCSA-N 2 0 263.407 -0.002 20 0 CBADRP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298634 656026316 /nfs/dbraw/zinc/02/63/16/656026316.db2.gz YDAZAAFHWCQPTI-NEPJUHHUSA-N 2 0 255.362 -0.083 20 0 CBADRP CCC[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)N(C)C ZINC000053298886 656026369 /nfs/dbraw/zinc/02/63/69/656026369.db2.gz RNQJKJLKFAAULD-UHFFFAOYSA-N 2 0 284.404 -0.392 20 0 CBADRP C[C@H](CNC(=O)c1cn(CC[NH3+])nn1)[NH+]1CCCCC1 ZINC000089699865 656055779 /nfs/dbraw/zinc/05/57/79/656055779.db2.gz PZMACLIEWVTDFG-LLVKDONJSA-N 2 0 280.376 -0.159 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091667913 656059015 /nfs/dbraw/zinc/05/90/15/656059015.db2.gz BNXRJKWPXBCNNV-GRYCIOLGSA-N 2 0 255.362 -0.051 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000091668488 656059104 /nfs/dbraw/zinc/05/91/04/656059104.db2.gz JYVIMTXHBCVCQM-YNEHKIRRSA-N 2 0 283.372 -0.656 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000091668492 656059197 /nfs/dbraw/zinc/05/91/97/656059197.db2.gz JYVIMTXHBCVCQM-XQQFMLRXSA-N 2 0 283.372 -0.656 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668486 656059280 /nfs/dbraw/zinc/05/92/80/656059280.db2.gz JYVIMTXHBCVCQM-JHJVBQTASA-N 2 0 283.372 -0.656 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1CCC[NH2+]C1 ZINC000091668073 656059312 /nfs/dbraw/zinc/05/93/12/656059312.db2.gz LITFGCKVBFJIQI-UPJWGTAASA-N 2 0 267.373 -0.035 20 0 CBADRP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000125532733 656067649 /nfs/dbraw/zinc/06/76/49/656067649.db2.gz QWCGAEVYDLILAN-ZJUUUORDSA-N 2 0 256.350 -0.109 20 0 CBADRP C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000178880796 656088866 /nfs/dbraw/zinc/08/88/66/656088866.db2.gz MAWHPOMWZCIXQT-OLZOCXBDSA-N 2 0 268.405 -0.119 20 0 CBADRP C[NH+](C)CCNC(=O)C1CC[NH+](CC2OCCO2)CC1 ZINC000182625144 656092421 /nfs/dbraw/zinc/09/24/21/656092421.db2.gz QDWZROHQDXPOLG-UHFFFAOYSA-N 2 0 285.388 -0.251 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217056495 656105166 /nfs/dbraw/zinc/10/51/66/656105166.db2.gz XIEOLCCIOBMCKA-RDBSUJKOSA-N 2 0 299.415 -0.426 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000262135219 656129251 /nfs/dbraw/zinc/12/92/51/656129251.db2.gz OGDKCVVEEKTNBN-MDZLAQPJSA-N 2 0 284.404 -0.186 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000262135212 656129456 /nfs/dbraw/zinc/12/94/56/656129456.db2.gz OGDKCVVEEKTNBN-GVXVVHGQSA-N 2 0 284.404 -0.186 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000310771519 656144031 /nfs/dbraw/zinc/14/40/31/656144031.db2.gz UGFMNPZIRBQHJF-NEPJUHHUSA-N 2 0 254.378 -0.524 20 0 CBADRP O[C@H](C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)C(F)(F)F ZINC000310750216 656144519 /nfs/dbraw/zinc/14/45/19/656144519.db2.gz KSLVKRJXAXNPIT-NXEZZACHSA-N 2 0 267.295 -0.111 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000311016203 656145135 /nfs/dbraw/zinc/14/51/35/656145135.db2.gz KUJUDAKTQPRHEE-AVGNSLFASA-N 2 0 259.394 -0.263 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000311156403 656145573 /nfs/dbraw/zinc/14/55/73/656145573.db2.gz OMAZSBGVGVMAAF-FRRDWIJNSA-N 2 0 259.394 -0.392 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000311601524 656146094 /nfs/dbraw/zinc/14/60/94/656146094.db2.gz TUBGZBZJSDGWAF-ZIAGYGMSSA-N 2 0 271.405 -0.389 20 0 CBADRP C[N@H+](C[C@@H](O)CN1CCOCC1)CC1CC[NH+](C)CC1 ZINC000312149965 656146879 /nfs/dbraw/zinc/14/68/79/656146879.db2.gz MSUXOGKSXRZTID-OAHLLOKOSA-N 2 0 285.432 -0.047 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC000353428801 656162099 /nfs/dbraw/zinc/16/20/99/656162099.db2.gz FFDOASNGSLNSGX-UONOGXRCSA-N 2 0 299.415 -0.068 20 0 CBADRP O=C1[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1C1CCOCC1 ZINC000359307709 656164985 /nfs/dbraw/zinc/16/49/85/656164985.db2.gz OBYJICZUJYOSSZ-MBNYWOFBSA-N 2 0 279.384 -0.083 20 0 CBADRP CC(C)N(C)S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420446700 656167318 /nfs/dbraw/zinc/16/73/18/656167318.db2.gz BPJSOMPKVAFWFK-UHFFFAOYSA-N 2 0 266.411 -0.429 20 0 CBADRP C[N@@H+]1CCCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000446374049 656171448 /nfs/dbraw/zinc/17/14/48/656171448.db2.gz DEZSLMIMWABQRS-UHFFFAOYSA-N 2 0 263.345 -0.167 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000702415513 656180596 /nfs/dbraw/zinc/18/05/96/656180596.db2.gz BMSPCKFIGOBGAS-AVGNSLFASA-N 2 0 268.405 -0.182 20 0 CBADRP C[C@H](CNC(=O)[C@@H](N)C[NH+](C)C)C[NH+]1CCCC1 ZINC000702418346 656180795 /nfs/dbraw/zinc/18/07/95/656180795.db2.gz BLOZLLDZMPPVIH-NEPJUHHUSA-N 2 0 256.394 -0.277 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000702424657 656181335 /nfs/dbraw/zinc/18/13/35/656181335.db2.gz ZCTOAGALRHJOFH-TUAOUCFPSA-N 2 0 254.378 -0.382 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000702425500 656181536 /nfs/dbraw/zinc/18/15/36/656181536.db2.gz AESSQCHGEBNQAB-LBPRGKRZSA-N 2 0 256.394 -0.325 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000702588970 656181966 /nfs/dbraw/zinc/18/19/66/656181966.db2.gz BHAIQARUIHCZAJ-KFWWJZLASA-N 2 0 285.432 -0.143 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000703153691 656182893 /nfs/dbraw/zinc/18/28/93/656182893.db2.gz RCPYMTQHLFWJIF-KXNHARMFSA-N 2 0 269.345 -0.918 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC(C)([NH3+])CC1 ZINC000704513839 656184690 /nfs/dbraw/zinc/18/46/90/656184690.db2.gz WIAIZQASOMQKPW-LBPRGKRZSA-N 2 0 259.394 -0.261 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000705695498 656187062 /nfs/dbraw/zinc/18/70/62/656187062.db2.gz MITABIMEIXNZMY-ZDUSSCGKSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@H]([NH3+])C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000705898312 656187682 /nfs/dbraw/zinc/18/76/82/656187682.db2.gz XOEGIBWVYUXTLP-QJPTWQEYSA-N 3 0 256.394 -0.469 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)O)C[C@H]1C[NH+](C)C ZINC000706036349 656187670 /nfs/dbraw/zinc/18/76/70/656187670.db2.gz VNUXUXVPKZXBEZ-VXGBXAGGSA-N 2 0 271.405 -0.045 20 0 CBADRP C[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)CC1 ZINC000708584964 656194280 /nfs/dbraw/zinc/19/42/80/656194280.db2.gz FMNIXBXBALNDTO-CYBMUJFWSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+](C)CC1(O)CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000710593934 656198702 /nfs/dbraw/zinc/19/87/02/656198702.db2.gz CUCDMFOLZPWENH-NSHDSACASA-N 2 0 255.362 -0.347 20 0 CBADRP CN(C)C(=O)CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710625674 656199379 /nfs/dbraw/zinc/19/93/79/656199379.db2.gz DXSOBMXQKLMSDU-UHFFFAOYSA-N 2 0 257.378 -0.147 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CCC[N@H+](C)C2)C[NH2+]CCO1 ZINC000710755547 656200480 /nfs/dbraw/zinc/20/04/80/656200480.db2.gz PTZIWTJKWSDPRE-AAEUAGOBSA-N 2 0 271.361 -0.798 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000710741571 656200628 /nfs/dbraw/zinc/20/06/28/656200628.db2.gz HTNJLUDIZXSLOR-FZMZJTMJSA-N 2 0 283.372 -0.656 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]2CC[N@H+](C)C2)C[NH2+]CCO1 ZINC000710755088 656200987 /nfs/dbraw/zinc/20/09/87/656200987.db2.gz KZVDDPWCKSVNCY-YPMHNXCESA-N 2 0 271.361 -0.941 20 0 CBADRP COC[C@]1(C(=O)N2CCC[C@H]([NH+](C)C)C2)C[NH2+]CCO1 ZINC000710791856 656202909 /nfs/dbraw/zinc/20/29/09/656202909.db2.gz YSVBYRVGBVCQHM-JSGCOSHPSA-N 2 0 285.388 -0.456 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710828215 656204168 /nfs/dbraw/zinc/20/41/68/656204168.db2.gz LNYFTHWZHWWKGI-JSGCOSHPSA-N 2 0 287.404 -0.162 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711318196 656206902 /nfs/dbraw/zinc/20/69/02/656206902.db2.gz UNFYQIMRQXEGMA-RYUDHWBXSA-N 2 0 268.405 -0.406 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711318195 656207118 /nfs/dbraw/zinc/20/71/18/656207118.db2.gz UNFYQIMRQXEGMA-NWDGAFQWSA-N 2 0 268.405 -0.406 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711394493 656208297 /nfs/dbraw/zinc/20/82/97/656208297.db2.gz LOSFPLCZILMIEB-LLVKDONJSA-N 2 0 257.378 -0.074 20 0 CBADRP C[N@@H+]1CCN(C(=O)CNC(=O)C[NH3+])CCC1(C)C ZINC000712679427 656211256 /nfs/dbraw/zinc/21/12/56/656211256.db2.gz VAWNYRFHUUOTFL-UHFFFAOYSA-N 2 0 256.350 -0.996 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000715536975 656220139 /nfs/dbraw/zinc/22/01/39/656220139.db2.gz GZIHNHVIBFNNDX-QWHCGFSZSA-N 2 0 268.405 -0.119 20 0 CBADRP O=C(N1CCC[C@H]([NH2+]CCO)C1)C12CC[NH+](CC1)C2 ZINC000715867405 656220726 /nfs/dbraw/zinc/22/07/26/656220726.db2.gz ZBICFENDWHCCEU-LBPRGKRZSA-N 2 0 267.373 -0.345 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000719192300 656234535 /nfs/dbraw/zinc/23/45/35/656234535.db2.gz NIIBIEYAIZOZND-JTQLQIEISA-N 2 0 251.334 -0.297 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877399656 656247194 /nfs/dbraw/zinc/24/71/94/656247194.db2.gz OMSPJCQLMSHVRY-NTZNESFSSA-N 2 0 253.346 -0.234 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877402208 656247210 /nfs/dbraw/zinc/24/72/10/656247210.db2.gz ACGIQSXUEGYWNM-NSHDSACASA-N 2 0 282.388 -0.510 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000884640338 656253474 /nfs/dbraw/zinc/25/34/74/656253474.db2.gz BHWRDCRPRRDDRE-VXGBXAGGSA-N 2 0 296.415 -0.075 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])C1 ZINC000884787536 656254816 /nfs/dbraw/zinc/25/48/16/656254816.db2.gz VFDJIHIZIQUOFG-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884797756 656256166 /nfs/dbraw/zinc/25/61/66/656256166.db2.gz XAEHUHAMVBTOOI-SRVKXCTJSA-N 2 0 282.388 -0.737 20 0 CBADRP C[NH2+]C[C@@](C)(O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507212 656321849 /nfs/dbraw/zinc/32/18/49/656321849.db2.gz RCTHGJKPNOHRIJ-OWCLPIDISA-N 3 0 296.459 -0.143 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903755679 656322571 /nfs/dbraw/zinc/32/25/71/656322571.db2.gz BOLNYUMRHAMAHG-LBPRGKRZSA-N 2 0 298.431 -0.019 20 0 CBADRP CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904320744 656324414 /nfs/dbraw/zinc/32/44/14/656324414.db2.gz NVSRKNKMPVXLBY-OUAUKWLOSA-N 2 0 261.391 -0.263 20 0 CBADRP NS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904320457 656324528 /nfs/dbraw/zinc/32/45/28/656324528.db2.gz HWVDOYYKWMSYLU-GARJFASQSA-N 2 0 261.391 -0.276 20 0 CBADRP CNS(=O)(=O)NC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904369465 656326018 /nfs/dbraw/zinc/32/60/18/656326018.db2.gz XETXYOFDFICOQU-AOOOYVTPSA-N 2 0 276.406 -0.758 20 0 CBADRP c1cc(N2CC[NH2+]CC2)oc1C[NH2+]C[C@@H]1COCCN1 ZINC000904380854 656326136 /nfs/dbraw/zinc/32/61/36/656326136.db2.gz IRGWEBWSDYMMCV-GFCCVEGCSA-N 2 0 280.372 -0.233 20 0 CBADRP COCCCn1nccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396962 656326301 /nfs/dbraw/zinc/32/63/01/656326301.db2.gz ZPDFAKJVFZJDEH-UHFFFAOYSA-N 2 0 281.404 -0.086 20 0 CBADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)CC[NH2+]1 ZINC000904429181 656326849 /nfs/dbraw/zinc/32/68/49/656326849.db2.gz YRUDBTYWHKEEDO-GRYCIOLGSA-N 2 0 275.418 -0.015 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000904461417 656327807 /nfs/dbraw/zinc/32/78/07/656327807.db2.gz JJTCDEGSWXZNAB-RYUDHWBXSA-N 3 0 268.405 -0.229 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000904461419 656328026 /nfs/dbraw/zinc/32/80/26/656328026.db2.gz JJTCDEGSWXZNAB-VXGBXAGGSA-N 3 0 268.405 -0.229 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000904957979 656330706 /nfs/dbraw/zinc/33/07/06/656330706.db2.gz GXYDMFXUHQVUKP-VXGBXAGGSA-N 2 0 298.431 -0.019 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])C[C@]2(C)C1 ZINC000904958154 656330866 /nfs/dbraw/zinc/33/08/66/656330866.db2.gz FENLRMDQZCNWCO-JMSVASOKSA-N 2 0 294.399 -0.654 20 0 CBADRP C[C@@H](C[NH2+]C[C@@H](O)C1(O)CCC1)CN1CC[NH+](C)CC1 ZINC000905111485 656339461 /nfs/dbraw/zinc/33/94/61/656339461.db2.gz SCBZKSMZKKIDKB-UONOGXRCSA-N 2 0 285.432 -0.265 20 0 CBADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)C2(O)CCC2)CC1 ZINC000905109205 656339550 /nfs/dbraw/zinc/33/95/50/656339550.db2.gz CTHKPIVHZUYQDF-CYBMUJFWSA-N 2 0 285.432 -0.122 20 0 CBADRP C[N@@H+]1CCN(CC[NH2+]C[C@H](O)C2(O)CCC2)CC1(C)C ZINC000905245024 656346640 /nfs/dbraw/zinc/34/66/40/656346640.db2.gz BHIAKEKMPBJJMD-ZDUSSCGKSA-N 2 0 285.432 -0.122 20 0 CBADRP [NH3+]C[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)C1CC1 ZINC000905331249 656350202 /nfs/dbraw/zinc/35/02/02/656350202.db2.gz ZKDPNRNPXSLQMU-NSHDSACASA-N 2 0 261.391 -0.357 20 0 CBADRP CN([C@@H]1CC[NH2+]C1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905330691 656349462 /nfs/dbraw/zinc/34/94/62/656349462.db2.gz WGARSQDRMQMOTF-LLVKDONJSA-N 2 0 261.391 -0.391 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCC[NH2+]CC1 ZINC000905331222 656349838 /nfs/dbraw/zinc/34/98/38/656349838.db2.gz YYBBWTFPHSREHE-UHFFFAOYSA-N 2 0 261.391 -0.389 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905341588 656349845 /nfs/dbraw/zinc/34/98/45/656349845.db2.gz APKLTWFFGKIDOX-WDEREUQCSA-N 2 0 275.418 -0.002 20 0 CBADRP C[NH2+][C@@H]1CCCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905345418 656351269 /nfs/dbraw/zinc/35/12/69/656351269.db2.gz WIFIFQYEEOAJCJ-GFCCVEGCSA-N 2 0 275.418 0.000 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NC2CC[NH+](C)CC2)C1 ZINC000905347882 656351864 /nfs/dbraw/zinc/35/18/64/656351864.db2.gz SVCFMFZKOSPOGN-UHFFFAOYSA-N 2 0 268.405 -0.310 20 0 CBADRP C[NH2+]C[C@H](O)CNC[C@H](O)CC1(O)CCCCC1 ZINC000905352477 656352637 /nfs/dbraw/zinc/35/26/37/656352637.db2.gz DHXLSGKMHBWSSJ-NEPJUHHUSA-N 2 0 260.378 -0.398 20 0 CBADRP [NH3+]CCCOCCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905362383 656353754 /nfs/dbraw/zinc/35/37/54/656353754.db2.gz SFPQFKLJPHBKHC-UHFFFAOYSA-N 2 0 279.406 -0.729 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000905361083 656353800 /nfs/dbraw/zinc/35/38/00/656353800.db2.gz YRHVDADRLGLBRW-TXEJJXNPSA-N 2 0 273.402 -0.248 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000905450189 656357748 /nfs/dbraw/zinc/35/77/48/656357748.db2.gz GUYHDAFJWHYCGZ-KGLIPLIRSA-N 2 0 283.416 -0.104 20 0 CBADRP O[C@@H](C[NH2+][C@H]1CC[C@@H](O)[C@@H](O)CC1)C[NH+]1CCCC1 ZINC000905467165 656359032 /nfs/dbraw/zinc/35/90/32/656359032.db2.gz TUWSYOWGFVSUMC-FQUUOJAGSA-N 2 0 272.389 -0.303 20 0 CBADRP O[C@H](C[NH2+][C@H]1CC[C@@H](O)[C@@H](O)CC1)C[NH+]1CCCC1 ZINC000905467168 656359094 /nfs/dbraw/zinc/35/90/94/656359094.db2.gz TUWSYOWGFVSUMC-YIYPIFLZSA-N 2 0 272.389 -0.303 20 0 CBADRP COC(=O)/C(C)=C\C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000905531520 656360856 /nfs/dbraw/zinc/36/08/56/656360856.db2.gz BGBLBISXTMJVLI-VEIWZVCTSA-N 2 0 285.388 -0.696 20 0 CBADRP CCN1CCC[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1=O ZINC000905549816 656361219 /nfs/dbraw/zinc/36/12/19/656361219.db2.gz HCQVCGLJBPWRJP-KBPBESRZSA-N 2 0 298.431 -0.805 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NC[C@H]2CC[NH+](C)C2)C1 ZINC000906358357 656385719 /nfs/dbraw/zinc/38/57/19/656385719.db2.gz HMKUYPSDZCOZHN-GFCCVEGCSA-N 2 0 268.405 -0.452 20 0 CBADRP [NH3+]C1CC(NCc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000906511029 656389605 /nfs/dbraw/zinc/38/96/05/656389605.db2.gz QHRKIPKMFHDBRX-ILDUYXDCSA-N 2 0 250.350 -0.218 20 0 CBADRP C[C@H](NC(=O)C1CN(C)CC[N@H+](C)C1)[C@H]1CN(C)CCO1 ZINC000907071392 656419595 /nfs/dbraw/zinc/41/95/95/656419595.db2.gz QMTZPAFJERGRAT-GXTWGEPZSA-N 2 0 298.431 -0.685 20 0 CBADRP C[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)[C@H]1CN(C)CCO1 ZINC000907071395 656419940 /nfs/dbraw/zinc/41/99/40/656419940.db2.gz QMTZPAFJERGRAT-TZMCWYRMSA-N 2 0 298.431 -0.685 20 0 CBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C)C(N)=O ZINC000996609368 656447247 /nfs/dbraw/zinc/44/72/47/656447247.db2.gz GGBGOQGACMUOFR-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]([NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C)C(N)=O ZINC000996609366 656447416 /nfs/dbraw/zinc/44/74/16/656447416.db2.gz GGBGOQGACMUOFR-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP O=C([C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC([NH2+]CCO)CC1 ZINC000996619011 656447448 /nfs/dbraw/zinc/44/74/48/656447448.db2.gz JCUPSFNNIBPOKO-UONOGXRCSA-N 2 0 297.399 -0.578 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C)C(N)=O ZINC000996609372 656447616 /nfs/dbraw/zinc/44/76/16/656447616.db2.gz GGBGOQGACMUOFR-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)[C@H](C(=O)N1CCC([NH2+]CC(N)=O)CC1)[NH+](C)C ZINC000996978321 656462163 /nfs/dbraw/zinc/46/21/63/656462163.db2.gz ODOOAENGBLYTQO-CYBMUJFWSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1)C(N)=O ZINC000997008003 656463479 /nfs/dbraw/zinc/46/34/79/656463479.db2.gz SVSWAPVATGKIHB-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@@H](C(=O)N1CCC([NH2+]CC(N)=O)CC1)[NH+](C)C ZINC000997011138 656463639 /nfs/dbraw/zinc/46/36/39/656463639.db2.gz WSLDBROPAAIHOG-NSHDSACASA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@@H]([NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)C(N)=O ZINC000997186945 656469625 /nfs/dbraw/zinc/46/96/25/656469625.db2.gz LIHJHOZNAKZHJO-LLVKDONJSA-N 2 0 294.399 -0.463 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC000997300523 656472490 /nfs/dbraw/zinc/47/24/90/656472490.db2.gz WNSXDPPHLMQSKZ-AAEUAGOBSA-N 2 0 294.399 -0.593 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCN1CCCOCC1 ZINC000907614410 656540881 /nfs/dbraw/zinc/54/08/81/656540881.db2.gz YCVIUQIIUVMAGO-OCCSQVGLSA-N 2 0 285.388 -0.720 20 0 CBADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000907618186 656541881 /nfs/dbraw/zinc/54/18/81/656541881.db2.gz UEKGOPRGYAHVKH-OAHLLOKOSA-N 2 0 299.415 -0.328 20 0 CBADRP C[NH+]1CC2(C1)CCN(C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)C2 ZINC000907762551 656569732 /nfs/dbraw/zinc/56/97/32/656569732.db2.gz FRHHHXKHZVHNSH-YPMHNXCESA-N 2 0 267.373 -0.394 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000998734579 656576490 /nfs/dbraw/zinc/57/64/90/656576490.db2.gz XPIIYTGMGFJYDE-NEPJUHHUSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC000999363345 656625196 /nfs/dbraw/zinc/62/51/96/656625196.db2.gz GONBEHBKPXPBNT-RYUDHWBXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1)C1CC1 ZINC000999372820 656626485 /nfs/dbraw/zinc/62/64/85/656626485.db2.gz PEHVALVXGDLJEN-DGCLKSJQSA-N 2 0 282.388 -0.608 20 0 CBADRP NC(=O)C[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999594540 656637768 /nfs/dbraw/zinc/63/77/68/656637768.db2.gz BIHZIRBWKXPSTF-LBPRGKRZSA-N 2 0 294.399 -0.319 20 0 CBADRP C[C@H]([NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC000999698611 656644585 /nfs/dbraw/zinc/64/45/85/656644585.db2.gz QPYPNBBOJPYLFC-UNXYVOJBSA-N 2 0 294.399 -0.465 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000908204308 656671529 /nfs/dbraw/zinc/67/15/29/656671529.db2.gz GOMMFQDNAJLQKZ-AWEZNQCLSA-N 2 0 298.431 -0.947 20 0 CBADRP C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC000908205305 656671963 /nfs/dbraw/zinc/67/19/63/656671963.db2.gz NLMJLKQMVJKQAL-HIFRSBDPSA-N 2 0 299.415 -0.594 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001000191599 656699662 /nfs/dbraw/zinc/69/96/62/656699662.db2.gz JXPBTDSJUSMWFM-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001000192524 656701630 /nfs/dbraw/zinc/70/16/30/656701630.db2.gz MQTAMDZHEFJYFT-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001000198858 656703686 /nfs/dbraw/zinc/70/36/86/656703686.db2.gz LMPNWRUUTBKYSX-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000908414690 656720876 /nfs/dbraw/zinc/72/08/76/656720876.db2.gz KRGDNLLYCRPTTG-GFQSEFKGSA-N 2 0 269.389 -0.008 20 0 CBADRP C[NH+]1CCC(OCC(=O)N2CCC[C@H]([NH2+]CCO)C2)CC1 ZINC001000571409 656741833 /nfs/dbraw/zinc/74/18/33/656741833.db2.gz IOXBSCNRPCOSTP-ZDUSSCGKSA-N 2 0 299.415 -0.330 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001000687715 656759749 /nfs/dbraw/zinc/75/97/49/656759749.db2.gz HMPKOMLQPDHLNQ-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[C@H]([NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001000931020 656776296 /nfs/dbraw/zinc/77/62/96/656776296.db2.gz ANTXSOVLXBZEQZ-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001000937182 656776805 /nfs/dbraw/zinc/77/68/05/656776805.db2.gz SKZXPVJZVXXISL-LLVKDONJSA-N 2 0 268.361 -0.852 20 0 CBADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)C[C@H]21 ZINC000909146151 656784286 /nfs/dbraw/zinc/78/42/86/656784286.db2.gz OOADWPXKVBDQAA-ROEYZRMQSA-N 2 0 267.373 -0.540 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1=CC[NH+](CCO)CC1 ZINC001001151132 656801085 /nfs/dbraw/zinc/80/10/85/656801085.db2.gz LCWZJFCRQMWWHM-GXTWGEPZSA-N 2 0 281.400 -0.075 20 0 CBADRP O=C(NC1CC[NH+](CCO)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001002828629 656842262 /nfs/dbraw/zinc/84/22/62/656842262.db2.gz KKZAQCLTYWZEQD-AWEZNQCLSA-N 2 0 281.400 -0.099 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CCO)CC1 ZINC001003636855 656865880 /nfs/dbraw/zinc/86/58/80/656865880.db2.gz XNWWQBPDEZFVPP-AAEUAGOBSA-N 2 0 269.389 -0.243 20 0 CBADRP CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004147036 656881262 /nfs/dbraw/zinc/88/12/62/656881262.db2.gz CJRQFLHVZWIPAP-WCQYABFASA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000910958778 656910864 /nfs/dbraw/zinc/91/08/64/656910864.db2.gz PIOURESCXHDJAX-IAQYHMDHSA-N 2 0 294.399 -0.463 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CCCC1 ZINC000910951456 656911556 /nfs/dbraw/zinc/91/15/56/656911556.db2.gz BCGSTHKQWJDDQN-HAQNSBGRSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000910958124 656911991 /nfs/dbraw/zinc/91/19/91/656911991.db2.gz MSQIKIPZWANZKS-ZDUSSCGKSA-N 2 0 296.415 -0.155 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000910960992 656914385 /nfs/dbraw/zinc/91/43/85/656914385.db2.gz XQWWVNKHAMZAKW-DGCLKSJQSA-N 2 0 296.415 -0.301 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000910964346 656915487 /nfs/dbraw/zinc/91/54/87/656915487.db2.gz TXCQCJBNFUBGEL-NEPJUHHUSA-N 2 0 296.415 -0.441 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000910974848 656916993 /nfs/dbraw/zinc/91/69/93/656916993.db2.gz AIBVAGZZLMMVKT-JHJVBQTASA-N 2 0 298.431 -0.114 20 0 CBADRP CC[NH+]1CCC(CCNC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000910977709 656918512 /nfs/dbraw/zinc/91/85/12/656918512.db2.gz KBCWTMXKILTOPL-UHFFFAOYSA-N 2 0 296.415 -0.168 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000910979015 656920703 /nfs/dbraw/zinc/92/07/03/656920703.db2.gz SYEXZFIMOJWQGC-IJLUTSLNSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000911006625 656928205 /nfs/dbraw/zinc/92/82/05/656928205.db2.gz GFRZISDEQLWCKK-SDDRHHMPSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC[N@@H+]1C ZINC000911007229 656928417 /nfs/dbraw/zinc/92/84/17/656928417.db2.gz IXSCHEDDZWFYIR-FPYNETTCSA-N 2 0 294.399 -0.406 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[N@@H+]1C ZINC000911007235 656928586 /nfs/dbraw/zinc/92/85/86/656928586.db2.gz IXSCHEDDZWFYIR-KSSYENDESA-N 2 0 294.399 -0.406 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC[N@@H+]1C ZINC000911006170 656929141 /nfs/dbraw/zinc/92/91/41/656929141.db2.gz DJFKKEPOVFSACI-IJLUTSLNSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911030108 656934642 /nfs/dbraw/zinc/93/46/42/656934642.db2.gz QJKPJTBZGVUCNZ-VXGBXAGGSA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CC1 ZINC000911058473 656938589 /nfs/dbraw/zinc/93/85/89/656938589.db2.gz AACMKTHAGJJMHD-ADEWGFFLSA-N 2 0 280.372 -0.794 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911071596 656939398 /nfs/dbraw/zinc/93/93/98/656939398.db2.gz ANOLDJKAIVWNBW-WOPDTQHZSA-N 2 0 284.404 -0.586 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911072274 656939516 /nfs/dbraw/zinc/93/95/16/656939516.db2.gz IIOLZISWUDAKGR-FRRDWIJNSA-N 2 0 296.415 -0.489 20 0 CBADRP C[NH2+]CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)C(C)C ZINC000911071577 656939715 /nfs/dbraw/zinc/93/97/15/656939715.db2.gz AJUWWWISTRUWBD-LBPRGKRZSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000911072205 656940042 /nfs/dbraw/zinc/94/00/42/656940042.db2.gz HBZLJOYWXKKEIC-JHJVBQTASA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000911073258 656940933 /nfs/dbraw/zinc/94/09/33/656940933.db2.gz RDCRGZBYMUBGQE-UPJWGTAASA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000911073169 656940943 /nfs/dbraw/zinc/94/09/43/656940943.db2.gz QQEAEHHFFGDHRC-WOPDTQHZSA-N 2 0 294.399 -0.689 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911073275 656941320 /nfs/dbraw/zinc/94/13/20/656941320.db2.gz RGECCNRYYQTRJA-GHMZBOCLSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911072978 656941335 /nfs/dbraw/zinc/94/13/35/656941335.db2.gz OEPQPHAHVDQYFW-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911073522 656941370 /nfs/dbraw/zinc/94/13/70/656941370.db2.gz TYFBGAOFNMZIMA-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CCC1 ZINC000911113807 656952105 /nfs/dbraw/zinc/95/21/05/656952105.db2.gz IZTFOTVUDCMLJZ-NSHDSACASA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NCC2([NH3+])CC2)CCC1 ZINC000911115567 656953616 /nfs/dbraw/zinc/95/36/16/656953616.db2.gz OOSBHMWXBOCKTQ-UHFFFAOYSA-N 2 0 268.361 -0.806 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000911147758 656962943 /nfs/dbraw/zinc/96/29/43/656962943.db2.gz SNCIVOOYXUQZDC-LYIQGSDWSA-N 2 0 294.399 -0.691 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911160502 656967212 /nfs/dbraw/zinc/96/72/12/656967212.db2.gz DAEMQPRLWFCMAC-UHFFFAOYSA-N 2 0 282.388 -0.558 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)C1CC1 ZINC000911185958 656976050 /nfs/dbraw/zinc/97/60/50/656976050.db2.gz DHNMJDUKTKOTNO-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCC1([NH3+])CC1)C1CC1 ZINC000911185657 656976219 /nfs/dbraw/zinc/97/62/19/656976219.db2.gz BFZUPYFTASCZNV-UHFFFAOYSA-N 2 0 268.361 -0.806 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911188250 656977259 /nfs/dbraw/zinc/97/72/59/656977259.db2.gz SHDFKHRSJOGJKC-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)C1CC1 ZINC000911189263 656977731 /nfs/dbraw/zinc/97/77/31/656977731.db2.gz ZWJVXQRUDFLQJB-LBPRGKRZSA-N 2 0 296.415 -0.299 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000911199138 656981311 /nfs/dbraw/zinc/98/13/11/656981311.db2.gz AGVIQZNYINAMED-SGMGOOAPSA-N 2 0 269.389 -0.006 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)[N@H+](C)C1CC1 ZINC000911204425 656984262 /nfs/dbraw/zinc/98/42/62/656984262.db2.gz COGYEQDFEJRYAL-ZYHUDNBSSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)[N@H+](C)C1CC1 ZINC000911205536 656984318 /nfs/dbraw/zinc/98/43/18/656984318.db2.gz NBSLYMCVIBCVEN-GMTAPVOTSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1[NH3+] ZINC000911216396 656988408 /nfs/dbraw/zinc/98/84/08/656988408.db2.gz ZCXVXCQOCNUWBL-NTZNESFSSA-N 2 0 294.399 -0.608 20 0 CBADRP C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)C1=CC[N@H+](C)CC1 ZINC000911217369 656989724 /nfs/dbraw/zinc/98/97/24/656989724.db2.gz BGALRUYXKXKOSR-NTZNESFSSA-N 2 0 294.399 -0.441 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000911222278 656990552 /nfs/dbraw/zinc/99/05/52/656990552.db2.gz BYTWKXKMVZAHJO-NSHDSACASA-N 2 0 280.372 -0.806 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NCC1([NH3+])CC1)C1CCCC1 ZINC000911235327 656993125 /nfs/dbraw/zinc/99/31/25/656993125.db2.gz CAVZXBSLNXJIHR-UHFFFAOYSA-N 2 0 282.388 -0.416 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000911244843 656996951 /nfs/dbraw/zinc/99/69/51/656996951.db2.gz SIMXRJMUCBGOHQ-SWLSCSKDSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000911244839 656997273 /nfs/dbraw/zinc/99/72/73/656997273.db2.gz SIMXRJMUCBGOHQ-DOMZBBRYSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911254446 656997860 /nfs/dbraw/zinc/99/78/60/656997860.db2.gz FQIGMNRHOPJDBV-OLZOCXBDSA-N 2 0 298.431 -0.194 20 0 CBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911259211 657000929 /nfs/dbraw/zinc/00/09/29/657000929.db2.gz WAQYEPUKXVSDHG-LLVKDONJSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911259740 657001567 /nfs/dbraw/zinc/00/15/67/657001567.db2.gz ZWSSHAQSUABERN-FVCCEPFGSA-N 2 0 296.415 -0.158 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000911269701 657003925 /nfs/dbraw/zinc/00/39/25/657003925.db2.gz OGPBBRPKFPIKJK-WDEREUQCSA-N 2 0 280.372 -0.663 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000911269794 657004364 /nfs/dbraw/zinc/00/43/64/657004364.db2.gz BGVLTRQHBGZFBG-UHFFFAOYSA-N 2 0 298.431 -0.099 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000911275845 657006425 /nfs/dbraw/zinc/00/64/25/657006425.db2.gz ZNKKOZXQMVPBMJ-LLVKDONJSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(CC(N)=O)C2)CC[N@@H+]1C ZINC001007370583 657007687 /nfs/dbraw/zinc/00/76/87/657007687.db2.gz BUYBQZWRAYACCZ-IJLUTSLNSA-N 2 0 282.388 -0.608 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NCC[NH2+]C3CC3)C[C@]2(C)C1 ZINC000911283530 657009949 /nfs/dbraw/zinc/00/99/49/657009949.db2.gz IKQGYIRVCOPXBE-ABAIWWIYSA-N 2 0 294.399 -0.735 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NCC3([NH3+])CCC3)C[C@]2(C)C1 ZINC000911302904 657015438 /nfs/dbraw/zinc/01/54/38/657015438.db2.gz LRJDYRXHXNYWAO-RISCZKNCSA-N 2 0 294.399 -0.606 20 0 CBADRP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000911302328 657015536 /nfs/dbraw/zinc/01/55/36/657015536.db2.gz JXWRRZYXMVGNCM-RMRHIDDWSA-N 2 0 281.400 -0.006 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000911324528 657020503 /nfs/dbraw/zinc/02/05/03/657020503.db2.gz DZOXABUYEKXTIG-VXGBXAGGSA-N 2 0 294.399 -0.273 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000911324525 657020580 /nfs/dbraw/zinc/02/05/80/657020580.db2.gz DZOXABUYEKXTIG-NEPJUHHUSA-N 2 0 294.399 -0.273 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911335899 657022758 /nfs/dbraw/zinc/02/27/58/657022758.db2.gz CIOLNMHCPBNEMQ-SRVKXCTJSA-N 2 0 282.388 -0.560 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000911336074 657022770 /nfs/dbraw/zinc/02/27/70/657022770.db2.gz DZLOBMWOQRIAPH-IJLUTSLNSA-N 2 0 282.388 -0.608 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911339695 657023890 /nfs/dbraw/zinc/02/38/90/657023890.db2.gz WUIXMBDTEVZOJT-NSHDSACASA-N 2 0 284.404 -0.441 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911366898 657027576 /nfs/dbraw/zinc/02/75/76/657027576.db2.gz KCLLVZRKELHRAO-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000911369756 657028896 /nfs/dbraw/zinc/02/88/96/657028896.db2.gz BYWOCDHBPNUXPN-XQHKEYJVSA-N 2 0 296.415 -0.491 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911373852 657029659 /nfs/dbraw/zinc/02/96/59/657029659.db2.gz BERLVBWQJXRYBE-FRRDWIJNSA-N 2 0 296.415 -0.348 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000911375259 657031196 /nfs/dbraw/zinc/03/11/96/657031196.db2.gz TXSLWDOBGDIQGF-RAIGVLPGSA-N 2 0 294.399 -0.594 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000911375375 657031232 /nfs/dbraw/zinc/03/12/32/657031232.db2.gz VOLQJFZNUTUKFW-JHJVBQTASA-N 2 0 294.399 -0.593 20 0 CBADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N(C)CC[NH3+])c1 ZINC000911402984 657036120 /nfs/dbraw/zinc/03/61/20/657036120.db2.gz LIKPNOFKSMHBFH-UHFFFAOYSA-N 2 0 279.344 -0.819 20 0 CBADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CC[NH2+]CC2)c1 ZINC000911402970 657036251 /nfs/dbraw/zinc/03/62/51/657036251.db2.gz LCPMKNZBSPGQGG-UHFFFAOYSA-N 2 0 291.355 -0.804 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CCO)C2)C1 ZINC001008543507 657050080 /nfs/dbraw/zinc/05/00/80/657050080.db2.gz WPFFFKUZBYWASA-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911502359 657057384 /nfs/dbraw/zinc/05/73/84/657057384.db2.gz FWQAULZQNKNVBE-UHFFFAOYSA-N 2 0 256.350 -0.996 20 0 CBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911502847 657057395 /nfs/dbraw/zinc/05/73/95/657057395.db2.gz JMPHDYNUNYLXGF-UHFFFAOYSA-N 2 0 282.388 -0.417 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911503960 657057827 /nfs/dbraw/zinc/05/78/27/657057827.db2.gz RPBHSLPTYZSGSS-LLVKDONJSA-N 2 0 282.388 -0.465 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCC1([NH3+])CC1)C(C)C ZINC000911504305 657058353 /nfs/dbraw/zinc/05/83/53/657058353.db2.gz IYWVOAIHXFIURD-UHFFFAOYSA-N 2 0 270.377 -0.560 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000911504316 657058392 /nfs/dbraw/zinc/05/83/92/657058392.db2.gz XIJAYOAWTIGNCN-LLVKDONJSA-N 2 0 280.372 -0.709 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCC3([NH3+])CC3)CC[C@H]21 ZINC000911504728 657058505 /nfs/dbraw/zinc/05/85/05/657058505.db2.gz NNLPHRYTCKUBEO-NWDGAFQWSA-N 2 0 294.399 -0.463 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000911504524 657058664 /nfs/dbraw/zinc/05/86/64/657058664.db2.gz ZXXBBYNBFVWYQQ-LBPRGKRZSA-N 2 0 294.399 -0.319 20 0 CBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911504543 657058753 /nfs/dbraw/zinc/05/87/53/657058753.db2.gz KVUABGOQCRRPEN-UHFFFAOYSA-N 2 0 296.415 -0.073 20 0 CBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911506098 657059262 /nfs/dbraw/zinc/05/92/62/657059262.db2.gz KRSDIGAMIPSDTN-UHFFFAOYSA-N 2 0 296.415 -0.073 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911506825 657060809 /nfs/dbraw/zinc/06/08/09/657060809.db2.gz ROIFPFIZSJHITN-SNVBAGLBSA-N 2 0 268.361 -0.854 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911519825 657065398 /nfs/dbraw/zinc/06/53/98/657065398.db2.gz KZQILDLRMMSUSX-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911527634 657067171 /nfs/dbraw/zinc/06/71/71/657067171.db2.gz JAPMLHOFCCXDSC-NWDGAFQWSA-N 2 0 296.415 -0.347 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000911528769 657068303 /nfs/dbraw/zinc/06/83/03/657068303.db2.gz RJZWAQMRSHSLBG-GHMZBOCLSA-N 2 0 282.388 -0.689 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000911528770 657068248 /nfs/dbraw/zinc/06/82/48/657068248.db2.gz RJZWAQMRSHSLBG-MNOVXSKESA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911529673 657068333 /nfs/dbraw/zinc/06/83/33/657068333.db2.gz FNRVJHDQGBVXQH-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911536800 657071035 /nfs/dbraw/zinc/07/10/35/657071035.db2.gz BHKCJGJSHZKGCX-UMSGYPCISA-N 2 0 294.399 -0.404 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911538582 657072059 /nfs/dbraw/zinc/07/20/59/657072059.db2.gz SZPLWKUWCQMJLL-HBNTYKKESA-N 2 0 268.361 -0.985 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911543671 657073634 /nfs/dbraw/zinc/07/36/34/657073634.db2.gz YXLJQCPRXPRMSY-IRCOFANPSA-N 2 0 280.372 -0.794 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911542162 657073970 /nfs/dbraw/zinc/07/39/70/657073970.db2.gz LQUUQJYIJAUGOD-UMSGYPCISA-N 2 0 294.399 -0.452 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911549627 657076176 /nfs/dbraw/zinc/07/61/76/657076176.db2.gz MTTYDILTLNKPOQ-GRYCIOLGSA-N 2 0 282.388 -0.594 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC001009507899 657076450 /nfs/dbraw/zinc/07/64/50/657076450.db2.gz INZYKNGMYKTVSA-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911562401 657079059 /nfs/dbraw/zinc/07/90/59/657079059.db2.gz BGUAZLIZFCESGP-XYPYZODXSA-N 2 0 282.388 -0.608 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000911564979 657079804 /nfs/dbraw/zinc/07/98/04/657079804.db2.gz XMVCSPLQAWBRSL-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CCC[C@@H]([NH3+])C2)C1=O ZINC000911622233 657086744 /nfs/dbraw/zinc/08/67/44/657086744.db2.gz DEFBRNNKDDRKRJ-GHMZBOCLSA-N 2 0 268.361 -0.867 20 0 CBADRP O=C([C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC000911647102 657094703 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O=C(N[C@@H]1CCC[NH2+]C1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000911672945 657101641 /nfs/dbraw/zinc/10/16/41/657101641.db2.gz HSHVGLSGXOIBAR-ZWNOBZJWSA-N 2 0 266.345 -0.247 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC000911683435 657103537 /nfs/dbraw/zinc/10/35/37/657103537.db2.gz HBWBFEOVIJGTHD-XQQFMLRXSA-N 2 0 296.415 -0.088 20 0 CBADRP CN(C(=O)[C@@H]1CCCN(CC[NH3+])C1=O)C1CC[NH2+]CC1 ZINC000911692085 657103851 /nfs/dbraw/zinc/10/38/51/657103851.db2.gz KQPGPIXQQQVHQV-LBPRGKRZSA-N 2 0 282.388 -0.606 20 0 CBADRP [NH3+]Cc1ccc2nc(C(=O)N[C@H]3CC[NH2+]C3)cn2c1 ZINC000911697331 657107049 /nfs/dbraw/zinc/10/70/49/657107049.db2.gz ADIVJUFNBNDGTA-JTQLQIEISA-N 2 0 259.313 -0.115 20 0 CBADRP C[C@H](NC(=O)[C@H]1C[NH2+]CCN1C)[C@H]1CCC[NH2+]C1 ZINC000911718076 657113954 /nfs/dbraw/zinc/11/39/54/657113954.db2.gz HUCYIFITJXYIQZ-SDDRHHMPSA-N 2 0 254.378 -0.606 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000911725049 657114997 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CBADRP [NH3+]C[C@@H]1CCN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)C1 ZINC000911738923 657119836 /nfs/dbraw/zinc/11/98/36/657119836.db2.gz ODWIYMDVJSZVLH-GWCFXTLKSA-N 2 0 266.345 -0.308 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911751776 657120509 /nfs/dbraw/zinc/12/05/09/657120509.db2.gz OIXYTVAPZTYQHS-MFKMUULPSA-N 2 0 266.345 -0.247 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911751774 657121317 /nfs/dbraw/zinc/12/13/17/657121317.db2.gz OIXYTVAPZTYQHS-GWCFXTLKSA-N 2 0 266.345 -0.247 20 0 CBADRP C[NH+]1CCC(OCC(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000911751834 657121410 /nfs/dbraw/zinc/12/14/10/657121410.db2.gz PXPABOQFCPGWRZ-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)NCC[NH2+]C2CC2)C1=O ZINC000911752397 657122276 /nfs/dbraw/zinc/12/22/76/657122276.db2.gz NGVGRZDKVRCUAO-NSHDSACASA-N 2 0 268.361 -0.948 20 0 CBADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC000911752822 657122348 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CN1CC[NH2+]C[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000911764627 657124727 /nfs/dbraw/zinc/12/47/27/657124727.db2.gz NEWMIESDKRZTSQ-CHWSQXEVSA-N 2 0 262.357 -0.294 20 0 CBADRP C[NH2+]CC1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC000911778818 657127064 /nfs/dbraw/zinc/12/70/64/657127064.db2.gz VXVSAQFTESHGSM-AWEZNQCLSA-N 2 0 269.389 -0.051 20 0 CBADRP C[C@@](C[NH3+])(NC(=O)C[C@@]1(O)CCC[NH2+]C1)C1CC1 ZINC000911800684 657133223 /nfs/dbraw/zinc/13/32/23/657133223.db2.gz VOQBBYVMQWOCIJ-STQMWFEESA-N 2 0 255.362 -0.265 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000911810540 657136284 /nfs/dbraw/zinc/13/62/84/657136284.db2.gz NBIYHENWNBPNRS-JOYOIKCWSA-N 2 0 254.334 -0.310 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000911819760 657140360 /nfs/dbraw/zinc/14/03/60/657140360.db2.gz PZNLRPRJHCPMIB-STQMWFEESA-N 2 0 268.405 -0.086 20 0 CBADRP [NH3+]C[C@@H](NC(=O)C1=NOC2(C1)CC[NH2+]CC2)C1CC1 ZINC000911831719 657141988 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CC(C)([NH3+])CNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC000911846520 657146979 /nfs/dbraw/zinc/14/69/79/657146979.db2.gz IRENEIJIIPTOLG-UHFFFAOYSA-N 2 0 254.334 -0.262 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000911864016 657149421 /nfs/dbraw/zinc/14/94/21/657149421.db2.gz FIYUBHKZDOLQLR-ZDUSSCGKSA-N 2 0 257.378 -0.066 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC000911866704 657149914 /nfs/dbraw/zinc/14/99/14/657149914.db2.gz BQFHDAUQDJMYON-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000911877709 657151757 /nfs/dbraw/zinc/15/17/57/657151757.db2.gz CLRXRZOGVCOEQQ-SRVKXCTJSA-N 2 0 256.394 -0.149 20 0 CBADRP CN1CCN(C(=O)C[C@@H]([NH3+])C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000911877644 657153074 /nfs/dbraw/zinc/15/30/74/657153074.db2.gz AVEHXEDQRSANCE-WDEREUQCSA-N 2 0 256.394 -0.149 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)CCO1 ZINC000911878809 657153832 /nfs/dbraw/zinc/15/38/32/657153832.db2.gz APBJUSNUAISQKV-CMPLNLGQSA-N 2 0 296.371 -0.541 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@@H](C[NH3+])C1 ZINC000911879589 657154762 /nfs/dbraw/zinc/15/47/62/657154762.db2.gz NXPVANJCZIAOJO-NNYUYHANSA-N 2 0 252.362 -0.772 20 0 CBADRP C[C@H]1[NH2+]CCn2c(C(=O)N3CCN(C)C[C@@H]3C[NH3+])ccc21 ZINC000911880692 657155926 /nfs/dbraw/zinc/15/59/26/657155926.db2.gz XFFUMKWXPCOTGN-NEPJUHHUSA-N 2 0 291.399 -0.133 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)CCO1 ZINC000911881093 657155982 /nfs/dbraw/zinc/15/59/82/657155982.db2.gz CKXYGZZYBWEBTH-BLFANLJRSA-N 2 0 253.346 -0.439 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CCO1 ZINC000911881874 657156748 /nfs/dbraw/zinc/15/67/48/657156748.db2.gz GYAKVZVJTTWEMM-SFTQSGBHSA-N 2 0 283.372 -0.813 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)CCO1 ZINC000911883255 657156781 /nfs/dbraw/zinc/15/67/81/657156781.db2.gz XVVFYMQPQUUSLW-ZKYQVNSYSA-N 2 0 296.371 -0.541 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)CCO1 ZINC000911885888 657157655 /nfs/dbraw/zinc/15/76/55/657157655.db2.gz ZYMCHCKZFKIGPX-NOHGZBONSA-N 2 0 253.346 -0.297 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C23CCC(CC2)[NH2+]3)CCO1 ZINC000911885851 657158044 /nfs/dbraw/zinc/15/80/44/657158044.db2.gz ZMZXLVOVVFUAPX-JJOYANBFSA-N 2 0 253.346 -0.154 20 0 CBADRP C[NH+]1CCC(N(CCO)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000911948133 657170588 /nfs/dbraw/zinc/17/05/88/657170588.db2.gz PMOSCSZSKAFQGX-UHFFFAOYSA-N 2 0 281.400 -0.003 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCO)C1 ZINC001010383337 657172441 /nfs/dbraw/zinc/17/24/41/657172441.db2.gz UUUVNYMQOCRMBZ-NEPJUHHUSA-N 2 0 255.362 -0.347 20 0 CBADRP C/C=C/[C@@H](O)C(=O)NCCN(C)CCC[NH+](C)C ZINC000912387611 657247267 /nfs/dbraw/zinc/24/72/67/657247267.db2.gz QEENIKDNJMNRJM-HOSRBBHYSA-N 2 0 257.378 -0.077 20 0 CBADRP C/C=C\[C@@H](O)C(=O)NCCN(C)CCC[NH+](C)C ZINC000912387614 657246477 /nfs/dbraw/zinc/24/64/77/657246477.db2.gz QEENIKDNJMNRJM-SMYYYNMVSA-N 2 0 257.378 -0.077 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)CCC(N)=O ZINC000912386475 657247876 /nfs/dbraw/zinc/24/78/76/657247876.db2.gz FGVGMIKDVNJJBJ-UHFFFAOYSA-N 2 0 258.366 -0.748 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000912386917 657248042 /nfs/dbraw/zinc/24/80/42/657248042.db2.gz KSUPUFCAHGSBKF-WDEREUQCSA-N 2 0 270.377 -0.893 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CCO)CC[N@@H+]1C ZINC000912599554 657289218 /nfs/dbraw/zinc/28/92/18/657289218.db2.gz OHCYXWWUXMGMKV-VXGBXAGGSA-N 2 0 257.378 -0.291 20 0 CBADRP CN(CC[N@H+](C)CCO)C(=O)c1ccnn1CC[NH+](C)C ZINC000912600230 657292818 /nfs/dbraw/zinc/29/28/18/657292818.db2.gz WVEMNEMTEOAXKT-UHFFFAOYSA-N 2 0 297.403 -0.559 20 0 CBADRP C[N@@H+]1CCC[C@](O)(CC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000913171310 657391456 /nfs/dbraw/zinc/39/14/56/657391456.db2.gz JHGUZFLGPWLRST-OCCSQVGLSA-N 2 0 285.388 -0.984 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)C12CC[NH+](CC1)C2 ZINC000913351664 657444723 /nfs/dbraw/zinc/44/47/23/657444723.db2.gz KKYUMYZFRVBUCK-NSHDSACASA-N 2 0 253.346 -0.735 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCO)C2)CC1 ZINC001015654634 657505605 /nfs/dbraw/zinc/50/56/05/657505605.db2.gz BSUPXJIAQLOQHH-CYBMUJFWSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001015796336 657551394 /nfs/dbraw/zinc/55/13/94/657551394.db2.gz KQHPMMJXOBRYOZ-CYBMUJFWSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001015997456 657629070 /nfs/dbraw/zinc/62/90/70/657629070.db2.gz CNJRUUVFOWUZJA-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCn3cncn3)C2)C1 ZINC001016249970 657670533 /nfs/dbraw/zinc/67/05/33/657670533.db2.gz LLUIPYPWAPPRDZ-STQMWFEESA-N 2 0 292.387 -0.580 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001016248619 657671221 /nfs/dbraw/zinc/67/12/21/657671221.db2.gz CFCGTRKGSIRNQJ-NWDGAFQWSA-N 2 0 255.362 -0.489 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC23CC[NH+](CCO)CC3)C1 ZINC001016968821 657743206 /nfs/dbraw/zinc/74/32/06/657743206.db2.gz HSISBEPJELFIPK-STQMWFEESA-N 2 0 281.400 -0.099 20 0 CBADRP C[NH+](C)CC(=O)N1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000917051753 657800056 /nfs/dbraw/zinc/80/00/56/657800056.db2.gz JHZIHEMUATYXTR-AWEZNQCLSA-N 2 0 298.431 -0.851 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCN2C)CC[N@@H+]1C ZINC000917961983 657822454 /nfs/dbraw/zinc/82/24/54/657822454.db2.gz YBEHDKLMBWWOOL-UPJWGTAASA-N 2 0 283.420 -0.376 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000919635179 657855792 /nfs/dbraw/zinc/85/57/92/657855792.db2.gz NDFDIAWRBHGGDY-RYUDHWBXSA-N 2 0 270.377 -0.290 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000919635175 657856263 /nfs/dbraw/zinc/85/62/63/657856263.db2.gz NDFDIAWRBHGGDY-NEPJUHHUSA-N 2 0 270.377 -0.290 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001019033220 657858774 /nfs/dbraw/zinc/85/87/74/657858774.db2.gz FANLVGJIIJWUMC-YNEHKIRRSA-N 2 0 296.415 -0.252 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1)[NH+](C)C ZINC001019033439 657859311 /nfs/dbraw/zinc/85/93/11/657859311.db2.gz ODLZMICSSPVUSO-QWHCGFSZSA-N 2 0 294.403 -0.191 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019043641 657860218 /nfs/dbraw/zinc/86/02/18/657860218.db2.gz BSXFJCRUOXRNCZ-NWDGAFQWSA-N 2 0 255.362 -0.347 20 0 CBADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001019241583 657875567 /nfs/dbraw/zinc/87/55/67/657875567.db2.gz LIGJZSKVLHHIQZ-SDDRHHMPSA-N 2 0 282.388 -0.465 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001019241565 657876143 /nfs/dbraw/zinc/87/61/43/657876143.db2.gz JRZATZYEZZHPTA-RWMBFGLXSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C)C[NH+]1CCN(C)CC1 ZINC000920453113 657876735 /nfs/dbraw/zinc/87/67/35/657876735.db2.gz XRFGZMUGOHJROK-ZIAGYGMSSA-N 2 0 297.447 -0.127 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1)[NH+](C)C ZINC001019397365 657893292 /nfs/dbraw/zinc/89/32/92/657893292.db2.gz WQWICSMGCJRAEF-SRVKXCTJSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)C(N)=O ZINC001019469931 657898370 /nfs/dbraw/zinc/89/83/70/657898370.db2.gz VHBVBNVCBNHJPR-YPMHNXCESA-N 2 0 296.415 -0.217 20 0 CBADRP Cn1nncc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001019772869 657937017 /nfs/dbraw/zinc/93/70/17/657937017.db2.gz VALSGQGURFOGMX-NEPJUHHUSA-N 2 0 292.387 -0.543 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001019775866 657938684 /nfs/dbraw/zinc/93/86/84/657938684.db2.gz KGORUHYYGBZZOO-RYUDHWBXSA-N 2 0 280.372 -0.839 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001020026258 657989773 /nfs/dbraw/zinc/98/97/73/657989773.db2.gz MRFUCULHEOQVPX-ZDEQEGDKSA-N 2 0 294.399 -0.404 20 0 CBADRP CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001020028558 657989866 /nfs/dbraw/zinc/98/98/66/657989866.db2.gz CLDPZTYMWPRUDL-FDYHWXHSSA-N 2 0 294.399 -0.452 20 0 CBADRP CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001020028560 657990088 /nfs/dbraw/zinc/99/00/88/657990088.db2.gz CLDPZTYMWPRUDL-ZDEQEGDKSA-N 2 0 294.399 -0.452 20 0 CBADRP Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001020026542 657991460 /nfs/dbraw/zinc/99/14/60/657991460.db2.gz XAHLKCSCZXKUGG-GVXVVHGQSA-N 2 0 292.387 -0.354 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001020161737 658020627 /nfs/dbraw/zinc/02/06/27/658020627.db2.gz NGSLLWPSQCSRHJ-PYJNHQTQSA-N 2 0 281.400 -0.054 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)CC[N@@H+]1C ZINC001020175191 658021909 /nfs/dbraw/zinc/02/19/09/658021909.db2.gz DXKYTBHHLAYPQA-ZDEQEGDKSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001020171224 658022031 /nfs/dbraw/zinc/02/20/31/658022031.db2.gz SPDXTJCTWIFWTN-GWOFURMSSA-N 2 0 268.361 -0.951 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001020174816 658022718 /nfs/dbraw/zinc/02/27/18/658022718.db2.gz SHAMTAGBNYDGCH-FIQHERPVSA-N 2 0 282.388 -0.561 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020214140 658026888 /nfs/dbraw/zinc/02/68/88/658026888.db2.gz JTWZBLWVSHGZBT-SRVKXCTJSA-N 2 0 282.388 -0.417 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020239258 658029767 /nfs/dbraw/zinc/02/97/67/658029767.db2.gz URAJIICQEYTETK-JHJVBQTASA-N 2 0 296.415 -0.029 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001020302237 658034956 /nfs/dbraw/zinc/03/49/56/658034956.db2.gz IAOIWVBUCNDQOB-LPWJVIDDSA-N 2 0 296.415 -0.029 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001020302236 658035974 /nfs/dbraw/zinc/03/59/74/658035974.db2.gz IAOIWVBUCNDQOB-FDYHWXHSSA-N 2 0 296.415 -0.029 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020340238 658040446 /nfs/dbraw/zinc/04/04/46/658040446.db2.gz LOYCGYVKWLBEMH-AVGNSLFASA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020340239 658041294 /nfs/dbraw/zinc/04/12/94/658041294.db2.gz LOYCGYVKWLBEMH-JHJVBQTASA-N 2 0 296.415 -0.171 20 0 CBADRP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)C12CCC[NH+]1CCC2 ZINC001020348777 658041982 /nfs/dbraw/zinc/04/19/82/658041982.db2.gz FKWVSIHSXKXLIF-HAQNSBGRSA-N 2 0 267.373 -0.156 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001020355125 658042051 /nfs/dbraw/zinc/04/20/51/658042051.db2.gz NZOUTFQUFFXOPK-XYPYZODXSA-N 2 0 287.323 -0.330 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020499855 658059134 /nfs/dbraw/zinc/05/91/34/658059134.db2.gz FWGILUNLWOOHAQ-AVGNSLFASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001020586788 658075462 /nfs/dbraw/zinc/07/54/62/658075462.db2.gz ZDWGBZMWXGMFFY-FDYHWXHSSA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1)C(N)=O ZINC001020586408 658076268 /nfs/dbraw/zinc/07/62/68/658076268.db2.gz NNWHXSVFUYXVPQ-WRWGMCAJSA-N 2 0 282.388 -0.419 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020928005 658118216 /nfs/dbraw/zinc/11/82/16/658118216.db2.gz SJEFUSMKUTZAHW-LPWJVIDDSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2C)CC1 ZINC000922982671 658118612 /nfs/dbraw/zinc/11/86/12/658118612.db2.gz DGHQVUYGUDCHEM-WDEREUQCSA-N 2 0 270.377 -0.555 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020938444 658121483 /nfs/dbraw/zinc/12/14/83/658121483.db2.gz NGZDFYIOYNOZGE-MGCOHNPYSA-N 2 0 291.355 -0.517 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001021044040 658133513 /nfs/dbraw/zinc/13/35/13/658133513.db2.gz IKLWJSLLCJWZFC-JHJVBQTASA-N 2 0 292.387 -0.533 20 0 CBADRP CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1=O ZINC001021045292 658133870 /nfs/dbraw/zinc/13/38/70/658133870.db2.gz ZVURNLRDAYIRSJ-FDYHWXHSSA-N 2 0 294.399 -0.594 20 0 CBADRP Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001021047399 658136102 /nfs/dbraw/zinc/13/61/02/658136102.db2.gz BLIVNTZFCLPURV-SRVKXCTJSA-N 2 0 292.387 -0.496 20 0 CBADRP Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001021048424 658142918 /nfs/dbraw/zinc/14/29/18/658142918.db2.gz ZWGPICJHQJUIDR-IJLUTSLNSA-N 2 0 292.387 -0.496 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001021051298 658144011 /nfs/dbraw/zinc/14/40/11/658144011.db2.gz HZLLOGKKIDAYGX-JOCQHMNTSA-N 2 0 294.399 -0.449 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001021094341 658150006 /nfs/dbraw/zinc/15/00/06/658150006.db2.gz OBEZOPXPIHQYGN-CYDGBPFRSA-N 2 0 296.415 -0.029 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001021094344 658151856 /nfs/dbraw/zinc/15/18/56/658151856.db2.gz OBEZOPXPIHQYGN-ZDEQEGDKSA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283173 658188672 /nfs/dbraw/zinc/18/86/72/658188672.db2.gz SSWCJRIPADOFKI-VXGBXAGGSA-N 2 0 255.362 -0.489 20 0 CBADRP CCOCC[C@H](O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000923280433 658189166 /nfs/dbraw/zinc/18/91/66/658189166.db2.gz GIVFXTASJIWAHM-STQMWFEESA-N 2 0 287.404 -0.439 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283772 658189714 /nfs/dbraw/zinc/18/97/14/658189714.db2.gz YDIGMANNUWMFFS-OLZOCXBDSA-N 2 0 285.388 -0.863 20 0 CBADRP C[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283171 658191507 /nfs/dbraw/zinc/19/15/07/658191507.db2.gz SSWCJRIPADOFKI-NWDGAFQWSA-N 2 0 255.362 -0.489 20 0 CBADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000923282500 658192344 /nfs/dbraw/zinc/19/23/44/658192344.db2.gz UXVFFVFHWVKPDB-XQQFMLRXSA-N 2 0 258.362 -0.177 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN[C@@](C)(C[NH3+])C1CC1 ZINC000923295797 658195469 /nfs/dbraw/zinc/19/54/69/658195469.db2.gz HPHFNRNUZVUQPH-STQMWFEESA-N 2 0 259.394 -0.358 20 0 CBADRP CC(=O)N[C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923302574 658197830 /nfs/dbraw/zinc/19/78/30/658197830.db2.gz CPBMKXBIKWDZKV-OLZOCXBDSA-N 2 0 267.373 -0.035 20 0 CBADRP COCC[NH+](CCOC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923299942 658198833 /nfs/dbraw/zinc/19/88/33/658198833.db2.gz JXFJOAOBAHBOPZ-GFCCVEGCSA-N 2 0 258.362 -0.040 20 0 CBADRP NC(=O)[C@@H]1CCCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923299413 658200747 /nfs/dbraw/zinc/20/07/47/658200747.db2.gz UNCUJVFJRSZDMK-MNOVXSKESA-N 2 0 253.346 -0.295 20 0 CBADRP CC[C@@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[N@@H+]1CCOC ZINC000923321215 658207746 /nfs/dbraw/zinc/20/77/46/658207746.db2.gz DMAHNKDMKJAHRS-CRWXNKLISA-N 2 0 271.405 -0.120 20 0 CBADRP CN1CC(=O)N(CC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1=O ZINC000923334725 658222436 /nfs/dbraw/zinc/22/24/36/658222436.db2.gz XZABDAMQMGMUOM-GARJFASQSA-N 2 0 266.345 -0.451 20 0 CBADRP [NH3+]CC(C[NH3+])NCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000923350579 658223240 /nfs/dbraw/zinc/22/32/40/658223240.db2.gz CQEHMVVGWZUAJD-UHFFFAOYSA-N 2 0 281.747 -0.277 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1C[C@@H](F)C[C@H]1C[NH3+] ZINC000923342690 658223524 /nfs/dbraw/zinc/22/35/24/658223524.db2.gz GCAXTLFPKQSJGA-SDDRHHMPSA-N 2 0 263.357 -0.703 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)CNC(C[NH3+])C[NH3+])c1ccccc1 ZINC000923353803 658226996 /nfs/dbraw/zinc/22/69/96/658226996.db2.gz AFBFDUWDWOLBHZ-CQSZACIVSA-N 3 0 293.415 -0.719 20 0 CBADRP O[C@@H](Cn1cccn1)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000923359005 658230858 /nfs/dbraw/zinc/23/08/58/658230858.db2.gz NVMRXHCORWOFSW-XQQFMLRXSA-N 2 0 250.346 -0.072 20 0 CBADRP COC[C@@H](O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000923363302 658233263 /nfs/dbraw/zinc/23/32/63/658233263.db2.gz REHBWFSMWFWWGG-XQQFMLRXSA-N 2 0 258.362 -0.178 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN[C@H](C[NH3+])C(C)(C)C ZINC000923368894 658239962 /nfs/dbraw/zinc/23/99/62/658239962.db2.gz GOBHTOTWCOAMHJ-NWDGAFQWSA-N 2 0 261.410 -0.112 20 0 CBADRP C[N@H+](CCN1CCOCC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923370876 658240575 /nfs/dbraw/zinc/24/05/75/658240575.db2.gz YXBWVDNHISPOHM-ZDUSSCGKSA-N 2 0 269.389 -0.371 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN[C@H](C[NH3+])C(C)(C)C ZINC000923368896 658242254 /nfs/dbraw/zinc/24/22/54/658242254.db2.gz GOBHTOTWCOAMHJ-VXGBXAGGSA-N 2 0 261.410 -0.112 20 0 CBADRP CN1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCC1=O ZINC000923386712 658249017 /nfs/dbraw/zinc/24/90/17/658249017.db2.gz AMAUGLRBMTXDOP-LLVKDONJSA-N 2 0 253.346 -0.471 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000923419485 658271139 /nfs/dbraw/zinc/27/11/39/658271139.db2.gz AVYCKABTUPJHTN-UTUOFQBUSA-N 2 0 259.394 -0.359 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413863 658271830 /nfs/dbraw/zinc/27/18/30/658271830.db2.gz JBWFIVRWCSVRIR-MMWGEVLESA-N 2 0 255.318 -0.766 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1CCC(=O)N1CC[NH2+]CC1 ZINC000923436947 658280508 /nfs/dbraw/zinc/28/05/08/658280508.db2.gz QWFFSYWYFWKUCC-AGIUHOORSA-N 2 0 268.405 -0.121 20 0 CBADRP COC[C@H](O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923442957 658283472 /nfs/dbraw/zinc/28/34/72/658283472.db2.gz RAPPSBXUXSCTSB-NEPJUHHUSA-N 2 0 258.362 -0.177 20 0 CBADRP CON1CC[C@H]([NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)C1=O ZINC000923445565 658284154 /nfs/dbraw/zinc/28/41/54/658284154.db2.gz XVCNVMBEEQRBEG-RYUDHWBXSA-N 2 0 283.372 -0.022 20 0 CBADRP CCOCCNC(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449541 658284734 /nfs/dbraw/zinc/28/47/34/658284734.db2.gz OVDNSEXCFKOBBR-ZDUSSCGKSA-N 2 0 299.415 -0.031 20 0 CBADRP O=c1cc(CN2CC[NH2+]CC[NH2+]CC2)nc2sccn21 ZINC000923466587 658297967 /nfs/dbraw/zinc/29/79/67/658297967.db2.gz QOPBQKRHOQNHOY-UHFFFAOYSA-N 2 0 293.396 -0.249 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@]([NH3+])(CO)C1 ZINC000923472247 658298809 /nfs/dbraw/zinc/29/88/09/658298809.db2.gz JBRSMIZZDIUOKI-HRCADAONSA-N 2 0 293.411 -0.297 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000923475574 658300261 /nfs/dbraw/zinc/30/02/61/658300261.db2.gz YCNJTGZKMYEJCN-NWDGAFQWSA-N 2 0 255.362 -0.707 20 0 CBADRP CN1CCN(C(=O)CC[N@@H+]2CC[C@@H](CC[NH3+])C2)CC1 ZINC000923481588 658302533 /nfs/dbraw/zinc/30/25/33/658302533.db2.gz RXVKTBJZCLAFIV-CYBMUJFWSA-N 2 0 268.405 -0.179 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000923477804 658302950 /nfs/dbraw/zinc/30/29/50/658302950.db2.gz LAWJIQLFTYQTSQ-HNNXBMFYSA-N 2 0 298.431 -0.628 20 0 CBADRP C[C@@H]1C[N@H+](CCN2C(=O)CN(C)C2=O)CC[C@@H]1C[NH3+] ZINC000923494601 658307071 /nfs/dbraw/zinc/30/70/71/658307071.db2.gz ZASSGMXTZAJSHV-GHMZBOCLSA-N 2 0 268.361 -0.203 20 0 CBADRP C[C@H]1C[N@H+](CC(=O)NCC(=O)N2CCCC2)CC[C@@H]1C[NH3+] ZINC000923498675 658307758 /nfs/dbraw/zinc/30/77/58/658307758.db2.gz KPQDLGLSPCQNLY-QWHCGFSZSA-N 2 0 296.415 -0.358 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500239 658308341 /nfs/dbraw/zinc/30/83/41/658308341.db2.gz VWVWVCANGSITGL-NXEZZACHSA-N 2 0 256.350 -0.251 20 0 CBADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000923491343 658308458 /nfs/dbraw/zinc/30/84/58/658308458.db2.gz IHPGEFWGYFFJCL-ZDUSSCGKSA-N 2 0 296.415 -0.214 20 0 CBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923490697 658308966 /nfs/dbraw/zinc/30/89/66/658308966.db2.gz FHEGYGZEIGASPQ-FRRDWIJNSA-N 2 0 260.378 -0.073 20 0 CBADRP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923503464 658311025 /nfs/dbraw/zinc/31/10/25/658311025.db2.gz IUWCJDSCKHZBIO-TZMCWYRMSA-N 2 0 296.415 -0.406 20 0 CBADRP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923503463 658311456 /nfs/dbraw/zinc/31/14/56/658311456.db2.gz IUWCJDSCKHZBIO-OCCSQVGLSA-N 2 0 296.415 -0.406 20 0 CBADRP COC(=O)[C@]12C[C@H]1CCCN2CCN1CC[NH2+]CC1 ZINC000923550970 658318800 /nfs/dbraw/zinc/31/88/00/658318800.db2.gz IKKFUKNKAORRGQ-OCCSQVGLSA-N 2 0 267.373 -0.081 20 0 CBADRP [NH3+]C[C@@H](NS(=O)(=O)N1CC[NH2+]CC1)C1CCCCC1 ZINC000923569547 658332645 /nfs/dbraw/zinc/33/26/45/658332645.db2.gz OUWOVWWIKZRASP-GFCCVEGCSA-N 2 0 290.433 -0.366 20 0 CBADRP CN(CC(C)(C)C[NH3+])S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923577810 658337462 /nfs/dbraw/zinc/33/74/62/658337462.db2.gz VSLFTLLANCKBRJ-SNVBAGLBSA-N 2 0 263.407 -0.015 20 0 CBADRP C[C@H](CNS(=O)(=O)C1C[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000923596549 658345199 /nfs/dbraw/zinc/34/51/99/658345199.db2.gz SXRQDFVLYINMIH-LLVKDONJSA-N 2 0 275.418 -0.002 20 0 CBADRP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923610710 658350492 /nfs/dbraw/zinc/35/04/92/658350492.db2.gz WAXRGBJHAAGKMS-NEPJUHHUSA-N 2 0 273.402 -0.153 20 0 CBADRP O=S(=O)([C@H]1CCC[NH2+]C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000923632836 658365446 /nfs/dbraw/zinc/36/54/46/658365446.db2.gz GWNJVIJYCVRILT-RYUDHWBXSA-N 2 0 273.402 -0.246 20 0 CBADRP C[NH2+][C@@H]1CCCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923635297 658365987 /nfs/dbraw/zinc/36/59/87/658365987.db2.gz FDGZGQLAWJGLEO-MNOVXSKESA-N 2 0 261.391 -0.248 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)[C@H]3CCC[NH2+]C3)C[C@H]12 ZINC000923635654 658365640 /nfs/dbraw/zinc/36/56/40/658365640.db2.gz OQSIHZZXQQJREF-NOOOWODRSA-N 2 0 273.402 -0.263 20 0 CBADRP CC1([NH3+])CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923634505 658365863 /nfs/dbraw/zinc/36/58/63/658365863.db2.gz OVCHRVXYWHQFTE-JTQLQIEISA-N 2 0 261.391 -0.119 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923635384 658366316 /nfs/dbraw/zinc/36/63/16/658366316.db2.gz HDORNNGHBDHJNL-DCAQKATOSA-N 2 0 261.391 -0.263 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923646346 658374134 /nfs/dbraw/zinc/37/41/34/658374134.db2.gz QNYPGFWBSUYZCZ-MNOVXSKESA-N 2 0 273.402 -0.391 20 0 CBADRP [NH3+][C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)C[C@H]1c1ccccc1F ZINC000923649307 658376195 /nfs/dbraw/zinc/37/61/95/658376195.db2.gz OWSILYMEBOTKRN-WCQYABFASA-N 2 0 299.371 -0.146 20 0 CBADRP [NH3+]CC1(CCNS(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923650694 658377061 /nfs/dbraw/zinc/37/70/61/658377061.db2.gz ADZGSPOTLSGIDH-JTQLQIEISA-N 2 0 261.391 -0.213 20 0 CBADRP C[NH2+]CCOCCN(C)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923660625 658385423 /nfs/dbraw/zinc/38/54/23/658385423.db2.gz BQLOLORTDLLCTN-LLVKDONJSA-N 2 0 279.406 -0.764 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923667548 658390299 /nfs/dbraw/zinc/39/02/99/658390299.db2.gz NKLXZEHDZHXPKK-XYPYZODXSA-N 2 0 276.406 -0.757 20 0 CBADRP CC(C)(C)[C@]1(C[NH3+])CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923668803 658391028 /nfs/dbraw/zinc/39/10/28/658391028.db2.gz LODRYXYWQBLFSL-LBPRGKRZSA-N 2 0 275.418 -0.015 20 0 CBADRP O=S(=O)(N[C@]12CCC[C@@H]1[NH2+]CC2)N1CC[NH2+]CC1 ZINC000923672674 658392649 /nfs/dbraw/zinc/39/26/49/658392649.db2.gz XCAYMADDOYGCOE-QWRGUYRKSA-N 2 0 274.390 -0.989 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923733932 658426560 /nfs/dbraw/zinc/42/65/60/658426560.db2.gz GMBOENDBLLGJLJ-LLVKDONJSA-N 2 0 259.375 -0.494 20 0 CBADRP C[NH+](C)C[C@@H]1NC(=O)N(C2CC[NH+](C)CC2)C1=O ZINC000924439584 658600322 /nfs/dbraw/zinc/60/03/22/658600322.db2.gz OQZQASVAXCKMQL-JTQLQIEISA-N 2 0 254.334 -0.437 20 0 CBADRP C[NH+](C)C[C@H]1NC(=O)N([C@@H]2CC[N@H+](CC3CC3)C2)C1=O ZINC000924592507 658622235 /nfs/dbraw/zinc/62/22/35/658622235.db2.gz RSCHYGDMOZDKED-VXGBXAGGSA-N 2 0 280.372 -0.047 20 0 CBADRP C[C@@H]1C[C@H](N2C(=O)N[C@@H](C[NH+](C)C)C2=O)CC[N@@H+]1C ZINC000924628510 658623460 /nfs/dbraw/zinc/62/34/60/658623460.db2.gz JPCFTXMBLWUVCS-MXWKQRLJSA-N 2 0 268.361 -0.049 20 0 CBADRP C[NH+](C)C[C@@H]1NC(=O)N([C@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000924886764 658655132 /nfs/dbraw/zinc/65/51/32/658655132.db2.gz PCFNAIGFERYPAU-QWRGUYRKSA-N 2 0 266.345 -0.295 20 0 CBADRP C[NH+](C)C[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000924886763 658655170 /nfs/dbraw/zinc/65/51/70/658655170.db2.gz PCFNAIGFERYPAU-MNOVXSKESA-N 2 0 266.345 -0.295 20 0 CBADRP C[C@@H](C[NH2+][C@H]1C(=O)NCC1(C)C)CN1CC[NH+](C)CC1 ZINC000924948543 658672670 /nfs/dbraw/zinc/67/26/70/658672670.db2.gz HWEKUGHWYZIHIG-STQMWFEESA-N 2 0 282.432 -0.016 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000924975171 658676238 /nfs/dbraw/zinc/67/62/38/658676238.db2.gz RJZKYMUUAYRSQR-GHMZBOCLSA-N 2 0 253.346 -0.737 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2C)cn1 ZINC000924978034 658681165 /nfs/dbraw/zinc/68/11/65/658681165.db2.gz HXESJMZLEIDTNM-OLZOCXBDSA-N 2 0 295.387 -0.761 20 0 CBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2C)n1 ZINC000924979108 658682068 /nfs/dbraw/zinc/68/20/68/658682068.db2.gz LZEIPODIEFEKET-NWDGAFQWSA-N 2 0 295.387 -0.761 20 0 CBADRP C[NH+](C)CCn1nccc1C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1C ZINC000924979123 658682769 /nfs/dbraw/zinc/68/27/69/658682769.db2.gz MBZGAIOYCPKPBO-NWDGAFQWSA-N 2 0 295.387 -0.761 20 0 CBADRP C[N@H+](CCO)CCNC(=O)CC1CC[NH+](C)CC1 ZINC000924999639 658721127 /nfs/dbraw/zinc/72/11/27/658721127.db2.gz QIPLWAALSXKHOV-UHFFFAOYSA-N 2 0 257.378 -0.241 20 0 CBADRP CN(CCC(=O)NCC[N@H+](C)CCO)c1cc[nH+]cc1 ZINC000924997525 658721319 /nfs/dbraw/zinc/72/13/19/658721319.db2.gz IHZMBTOITJDTDW-UHFFFAOYSA-N 2 0 280.372 -0.052 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)[C@H]1C[NH+]2CCC1CC2 ZINC000959918084 658759451 /nfs/dbraw/zinc/75/94/51/658759451.db2.gz FCBWFMUHCPLWOB-BYNSBNAKSA-N 2 0 293.411 -0.243 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@H]1C[NH+]2CCC1CC2 ZINC000959918945 658761895 /nfs/dbraw/zinc/76/18/95/658761895.db2.gz HCWMIRFNRHFFLA-IGQOVBAYSA-N 2 0 279.384 -0.633 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)CC[N@@H+]1C ZINC000959964611 658773825 /nfs/dbraw/zinc/77/38/25/658773825.db2.gz HOHIUUXYZQUJGY-POQQGIQPSA-N 2 0 281.400 -0.245 20 0 CBADRP CCO[C@H](CN1C(=O)N[C@H](C[NH+](C)C)C1=O)C[NH+](C)C ZINC000925235633 658812594 /nfs/dbraw/zinc/81/25/94/658812594.db2.gz MTAQHEVJRLXLJX-WDEREUQCSA-N 2 0 286.376 -0.565 20 0 CBADRP CC[NH+](CC)CCN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000925271897 658814731 /nfs/dbraw/zinc/81/47/31/658814731.db2.gz KRCVXAAIOUHVEQ-JTQLQIEISA-N 2 0 256.350 -0.190 20 0 CBADRP C[NH+](C)C[C@@H]1NC(=O)N([C@@H]2CCC[N@H+](C)C2)C1=O ZINC000925298812 658818190 /nfs/dbraw/zinc/81/81/90/658818190.db2.gz PWJFDYMOUDLOOE-ZJUUUORDSA-N 2 0 254.334 -0.437 20 0 CBADRP CC[N@@H+]1CCC[C@H](N2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000925300527 658819340 /nfs/dbraw/zinc/81/93/40/658819340.db2.gz WLVMMYHFEMBXSL-QWRGUYRKSA-N 2 0 268.361 -0.047 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21 ZINC000961773578 658833907 /nfs/dbraw/zinc/83/39/07/658833907.db2.gz PCJYTIFQTNZGNP-RMRHIDDWSA-N 2 0 281.400 -0.101 20 0 CBADRP C[NH+](C)CCN1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)CC1=O ZINC000925431036 658851501 /nfs/dbraw/zinc/85/15/01/658851501.db2.gz RWGWFFARUPFRBN-LBPRGKRZSA-N 2 0 297.403 -0.894 20 0 CBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925433818 658853095 /nfs/dbraw/zinc/85/30/95/658853095.db2.gz XMOZAUYMGNZQSK-NEPJUHHUSA-N 2 0 297.403 -0.548 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000925434652 658853675 /nfs/dbraw/zinc/85/36/75/658853675.db2.gz LPGZCDCYQACACA-ZIAGYGMSSA-N 2 0 296.415 -0.069 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000925434640 658854384 /nfs/dbraw/zinc/85/43/84/658854384.db2.gz LPGZCDCYQACACA-KGLIPLIRSA-N 2 0 296.415 -0.069 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000962553470 658856992 /nfs/dbraw/zinc/85/69/92/658856992.db2.gz HNBCSDLHFPZDCM-CZXHOFHRSA-N 2 0 292.383 -0.983 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CN[C@H]1C[NH2+]CCOC1 ZINC000925542842 658858178 /nfs/dbraw/zinc/85/81/78/658858178.db2.gz QSURWYMEJCJZDR-QWHCGFSZSA-N 2 0 259.394 -0.079 20 0 CBADRP NC(=O)C1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCOCC1 ZINC000925543999 658858237 /nfs/dbraw/zinc/85/82/37/658858237.db2.gz PGBDQHPIFGMMTD-JZRPKSSGSA-N 2 0 279.384 -0.146 20 0 CBADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCN1CC[NH2+]CC1 ZINC000925693285 658865860 /nfs/dbraw/zinc/86/58/60/658865860.db2.gz RCTMDFLVXBUJRA-VTXSZYRJSA-N 3 0 252.406 -0.003 20 0 CBADRP OCC[N@@H+]1CCCC[C@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925681164 658865950 /nfs/dbraw/zinc/86/59/50/658865950.db2.gz SYRBXSNTMJYPLM-STQMWFEESA-N 2 0 257.378 -0.589 20 0 CBADRP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2[C@@H]3COC[C@H]2C[C@H]([NH3+])C3)C1 ZINC000925717200 658866677 /nfs/dbraw/zinc/86/66/77/658866677.db2.gz ALXRXRWBBIATSB-JZWZECNXSA-N 2 0 253.346 -0.408 20 0 CBADRP CC1(C)[NH2+]CC[C@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000925715610 658867072 /nfs/dbraw/zinc/86/70/72/658867072.db2.gz FMABQCOSHPUMDO-SECBINFHSA-N 2 0 251.334 -0.129 20 0 CBADRP C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@H]1C[NH2+]CCCO1 ZINC000925711871 658867205 /nfs/dbraw/zinc/86/72/05/658867205.db2.gz TUJHYAFTGHNODU-GMDXDWKASA-N 2 0 251.374 -0.049 20 0 CBADRP CNS(=O)(=O)CCC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925725399 658868120 /nfs/dbraw/zinc/86/81/20/658868120.db2.gz KJKQYNSCKVPQRX-IWDIQUIJSA-N 2 0 291.417 -0.732 20 0 CBADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]CCN1CC[C@H](O)C1 ZINC000925724283 658868166 /nfs/dbraw/zinc/86/81/66/658868166.db2.gz IOBOTCMEOLLNSH-NDKCEZKHSA-N 2 0 269.389 -0.605 20 0 CBADRP COC(=O)CCNC(=O)CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925719025 658868223 /nfs/dbraw/zinc/86/82/23/658868223.db2.gz PVHHQNBGAUVFRM-QWRGUYRKSA-N 2 0 283.372 -0.085 20 0 CBADRP O[C@H]1CC[N@H+](CCN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925725440 658869019 /nfs/dbraw/zinc/86/90/19/658869019.db2.gz TZYVLVIKNFDFLI-XNBXPENISA-N 2 0 251.374 -0.361 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926293476 658890370 /nfs/dbraw/zinc/89/03/70/658890370.db2.gz NLZMEZLNPOZTSG-NSHDSACASA-N 2 0 270.377 -0.796 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)CC[C@H]1C[NH3+] ZINC000926330817 658892837 /nfs/dbraw/zinc/89/28/37/658892837.db2.gz OFGBLJBOLZDBAZ-FRRDWIJNSA-N 2 0 296.415 -0.408 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926361903 658896540 /nfs/dbraw/zinc/89/65/40/658896540.db2.gz LFJJGAJGNLJOQD-CYBMUJFWSA-N 2 0 298.431 -0.018 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926384049 658897867 /nfs/dbraw/zinc/89/78/67/658897867.db2.gz YRSWSCMHEBCLIU-STQMWFEESA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC000968903942 658944658 /nfs/dbraw/zinc/94/46/58/658944658.db2.gz BTHRSYOHZHITQW-WDEREUQCSA-N 2 0 282.388 -0.465 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000969198073 658958973 /nfs/dbraw/zinc/95/89/73/658958973.db2.gz WQLYRBRZUZZRJP-LLVKDONJSA-N 2 0 280.372 -0.709 20 0 CBADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](CCO)C1 ZINC000969411513 658988482 /nfs/dbraw/zinc/98/84/82/658988482.db2.gz MBDKOTYXQPZBIH-CMPLNLGQSA-N 2 0 255.362 -0.491 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](CCO)C1 ZINC000969411514 658989457 /nfs/dbraw/zinc/98/94/57/658989457.db2.gz MBDKOTYXQPZBIH-JQWIXIFHSA-N 2 0 255.362 -0.491 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC000969722885 659013529 /nfs/dbraw/zinc/01/35/29/659013529.db2.gz UERYVYAHHWAQDQ-QNWHQSFQSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@@H]1[C@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)CC[N@@H+]1C ZINC000928441915 659021543 /nfs/dbraw/zinc/02/15/43/659021543.db2.gz PXQRHDWAZWZOEQ-UPJWGTAASA-N 2 0 266.389 -0.415 20 0 CBADRP O=C(Cc1cnc[nH]1)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000970103015 659034539 /nfs/dbraw/zinc/03/45/39/659034539.db2.gz KMQPJVGTSHUGNI-KOLCDFICSA-N 2 0 277.328 -0.969 20 0 CBADRP C[NH+]1CC[C@H]1CNC(=O)CCCC(=O)NC[C@H]1CC[N@H+]1C ZINC000928564786 659046857 /nfs/dbraw/zinc/04/68/57/659046857.db2.gz ZARBUJJQWXWYDA-BETUJISGSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC000970717213 659069986 /nfs/dbraw/zinc/06/99/86/659069986.db2.gz LHZNRTFRYKGYSU-GHMZBOCLSA-N 2 0 268.361 -0.854 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000970725745 659070018 /nfs/dbraw/zinc/07/00/18/659070018.db2.gz KCZKASPVELXYSB-QWHCGFSZSA-N 2 0 285.388 -0.863 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000971686660 659095835 /nfs/dbraw/zinc/09/58/35/659095835.db2.gz DFZTVTWQBNBXNQ-YPMHNXCESA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000971673550 659096131 /nfs/dbraw/zinc/09/61/31/659096131.db2.gz HHJMSWVMBIXQAN-RYUDHWBXSA-N 2 0 296.415 -0.123 20 0 CBADRP OC[C@@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000929284253 659112444 /nfs/dbraw/zinc/11/24/44/659112444.db2.gz RBEBGWMALLCKTQ-ZDUSSCGKSA-N 2 0 258.362 -0.616 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH+](C)CCO)C1 ZINC000972333876 659114580 /nfs/dbraw/zinc/11/45/80/659114580.db2.gz YGMNYGBAJOSLDS-OLZOCXBDSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH+](C)CCO)C2)C1 ZINC000972335082 659116475 /nfs/dbraw/zinc/11/64/75/659116475.db2.gz MTOAIEXQHGJUBR-QWHCGFSZSA-N 2 0 269.389 -0.147 20 0 CBADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H](O)CO)C1 ZINC000929769870 659170183 /nfs/dbraw/zinc/17/01/83/659170183.db2.gz BPWDGWDJDBDMHB-OLZOCXBDSA-N 2 0 260.378 -0.228 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000930097173 659207164 /nfs/dbraw/zinc/20/71/64/659207164.db2.gz AXENEJUNULJIAK-LPWJVIDDSA-N 2 0 298.431 -0.245 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)CC[N@@H+]1C ZINC000978184215 659213836 /nfs/dbraw/zinc/21/38/36/659213836.db2.gz UECXLNCGSCIRHD-VEGXAWMVSA-N 2 0 294.399 -0.894 20 0 CBADRP C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC000980275004 659266729 /nfs/dbraw/zinc/26/67/29/659266729.db2.gz LTNYFVXECHSVAO-HIFRSBDPSA-N 2 0 281.400 -0.003 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980405187 659268287 /nfs/dbraw/zinc/26/82/87/659268287.db2.gz GYNSZPIBYGGMGJ-VXGBXAGGSA-N 2 0 282.388 -0.511 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC000980412470 659271451 /nfs/dbraw/zinc/27/14/51/659271451.db2.gz KGYZJLTYWFCTKG-KGLIPLIRSA-N 2 0 299.415 -0.520 20 0 CBADRP C[C@H](O)C[N@@H+]1CCCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000980893888 659298896 /nfs/dbraw/zinc/29/88/96/659298896.db2.gz QNEAFWXMAVGKTM-QWHCGFSZSA-N 2 0 285.388 -0.768 20 0 CBADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](O)[C@H](C)O)CC1 ZINC000930664133 659318736 /nfs/dbraw/zinc/31/87/36/659318736.db2.gz ROANSPUJYVNZKS-QWHCGFSZSA-N 2 0 273.421 -0.266 20 0 CBADRP CN(C)C(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000930715196 659327943 /nfs/dbraw/zinc/32/79/43/659327943.db2.gz GCQUHQZTPIWLHV-OLZOCXBDSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[NH+](CCO)CC2)C1 ZINC000981956939 659337112 /nfs/dbraw/zinc/33/71/12/659337112.db2.gz BCXWVOGYZRSZKG-ZDUSSCGKSA-N 2 0 269.389 -0.145 20 0 CBADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](O)CO)CC2)CC1 ZINC000930751531 659338076 /nfs/dbraw/zinc/33/80/76/659338076.db2.gz NNTYOKLKGRBEQN-HNNXBMFYSA-N 2 0 285.432 -0.168 20 0 CBADRP C[NH+](C)C1(C(=O)N2CCC([N@H+](C)CC(N)=O)CC2)CCC1 ZINC000985476158 659387782 /nfs/dbraw/zinc/38/77/82/659387782.db2.gz YYMQWVDWZFGDDZ-UHFFFAOYSA-N 2 0 296.415 -0.121 20 0 CBADRP CC[C@@H](C(=O)N1CCC([N@H+](C)CC(N)=O)CC1)[NH+](C)C ZINC000985658382 659393841 /nfs/dbraw/zinc/39/38/41/659393841.db2.gz XXFXKQOIYGTITA-LBPRGKRZSA-N 2 0 284.404 -0.265 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH+](C)CC(N)=O)CC1 ZINC000985653899 659393895 /nfs/dbraw/zinc/39/38/95/659393895.db2.gz NADWUZHAGLLCEH-DGCLKSJQSA-N 2 0 296.415 -0.408 20 0 CBADRP C[N@H+](CC(N)=O)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000985791676 659400981 /nfs/dbraw/zinc/40/09/81/659400981.db2.gz MOADBKAWKAMPPW-NSHDSACASA-N 2 0 282.388 -0.654 20 0 CBADRP C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986829813 659483682 /nfs/dbraw/zinc/48/36/82/659483682.db2.gz SMJGSYGLXNNTIU-ZYHUDNBSSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000987251227 659499841 /nfs/dbraw/zinc/49/98/41/659499841.db2.gz ARZILCSCNRBRPO-CHWSQXEVSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@@H](O)CO ZINC000931763058 659522825 /nfs/dbraw/zinc/52/28/25/659522825.db2.gz DSYRZLRKDZBZFO-WCQYABFASA-N 2 0 251.330 -0.055 20 0 CBADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@H](O)CO ZINC000931763055 659523046 /nfs/dbraw/zinc/52/30/46/659523046.db2.gz DSYRZLRKDZBZFO-AAEUAGOBSA-N 2 0 251.330 -0.055 20 0 CBADRP CC[N@H+](CCC(N)=O)CC(=O)NC1CC[NH+](CC)CC1 ZINC000932482637 659605468 /nfs/dbraw/zinc/60/54/68/659605468.db2.gz WROKXBYXPFCVKK-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989683560 659607802 /nfs/dbraw/zinc/60/78/02/659607802.db2.gz RDWMNIDONIHNDG-MNOVXSKESA-N 2 0 280.372 -0.854 20 0 CBADRP C[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000990508393 659752914 /nfs/dbraw/zinc/75/29/14/659752914.db2.gz MCOJCINPWYMNAE-OLZOCXBDSA-N 2 0 294.399 -0.498 20 0 CBADRP CC(C)[N@H+](C)C[C@@H](O)CN1CCN(C)CC[NH+](C)CC1 ZINC000933991982 659754966 /nfs/dbraw/zinc/75/49/66/659754966.db2.gz KPBJRDZMOYSWLL-OAHLLOKOSA-N 2 0 286.464 -0.133 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000934270010 659799110 /nfs/dbraw/zinc/79/91/10/659799110.db2.gz SDYUQCKTKPHAGD-ZNMIVQPWSA-N 2 0 285.432 -0.170 20 0 CBADRP C[N@H+](C[C@H](O)CN1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)C1CC1 ZINC000934270746 659800097 /nfs/dbraw/zinc/80/00/97/659800097.db2.gz YCEAUCWLESNTIC-HRCADAONSA-N 2 0 297.443 -0.028 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000991723015 659842550 /nfs/dbraw/zinc/84/25/50/659842550.db2.gz RDWLIGBQBMZDOA-GFCCVEGCSA-N 2 0 294.399 -0.639 20 0 CBADRP CC[C@H](C(=O)N1CC(NC(=O)C[NH+]2CCCC2)C1)[NH+](C)C ZINC000991741624 659844143 /nfs/dbraw/zinc/84/41/43/659844143.db2.gz JITXXMCMLFBXAO-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCO)C(C)(C)C1 ZINC000995552354 659902532 /nfs/dbraw/zinc/90/25/32/659902532.db2.gz QOHWLTSJGBTSQE-NWDGAFQWSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H]1C[N@H+](CCO)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944944531 659939320 /nfs/dbraw/zinc/93/93/20/659939320.db2.gz NANAKMZPWYXGSF-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)Cn2ccnc2)CC[N@@H+]1CCO ZINC000948090248 659965738 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CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@](C)(C[NH3+])C1 ZINC000394133483 790576754 /nfs/dbraw/zinc/57/67/54/790576754.db2.gz OHPSKJUUHDHSKJ-QWHCGFSZSA-N 2 0 259.394 -0.404 20 0 CBADRP CC(C)OC[C@@H](O)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397589490 790593809 /nfs/dbraw/zinc/59/38/09/790593809.db2.gz IWHNLUWJSIXYNX-LBPRGKRZSA-N 2 0 260.378 -0.181 20 0 CBADRP C[C@H]1COCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000399319518 790600711 /nfs/dbraw/zinc/60/07/11/790600711.db2.gz PONKEZWGQDTTIW-GFCCVEGCSA-N 2 0 255.362 -0.223 20 0 CBADRP CCO[C@@H]1CN(CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000405212920 790615259 /nfs/dbraw/zinc/61/52/59/790615259.db2.gz LYKDCKQTXYXLLA-YNEHKIRRSA-N 2 0 285.388 -0.471 20 0 CBADRP OCC[NH2+]C1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000686184936 790648772 /nfs/dbraw/zinc/64/87/72/790648772.db2.gz FSWBDGSAXBAEAZ-AWEZNQCLSA-N 2 0 271.405 -0.511 20 0 CBADRP OCC[NH2+]C1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000686184939 790648804 /nfs/dbraw/zinc/64/88/04/790648804.db2.gz FSWBDGSAXBAEAZ-CQSZACIVSA-N 2 0 271.405 -0.511 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000693575438 790682203 /nfs/dbraw/zinc/68/22/03/790682203.db2.gz VXHVRVIMJTWQQZ-DDHJBXDOSA-N 2 0 253.346 -0.297 20 0 CBADRP C[C@]1(C[NH3+])CCN(CCN2CCCS2(=O)=O)C1 ZINC000695043098 790686739 /nfs/dbraw/zinc/68/67/39/790686739.db2.gz WGXFSKHFUUBVJN-LLVKDONJSA-N 2 0 261.391 -0.307 20 0 CBADRP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000696231088 790689195 /nfs/dbraw/zinc/68/91/95/790689195.db2.gz XXLDHUJAQGTPCF-NWDGAFQWSA-N 2 0 276.402 -0.270 20 0 CBADRP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000699326653 790700042 /nfs/dbraw/zinc/70/00/42/790700042.db2.gz HCAONRHRMYBWQJ-NSHDSACASA-N 2 0 263.407 -0.061 20 0 CBADRP C[C@H](C[NH3+])C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000701653181 790718900 /nfs/dbraw/zinc/71/89/00/790718900.db2.gz DQJCIUSKFKIYMB-SNVBAGLBSA-N 2 0 263.407 -0.063 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3COCC[NH2+]3)C[C@]2(C)C1 ZINC000702274916 790722269 /nfs/dbraw/zinc/72/22/69/790722269.db2.gz FNSMUAOBMSNOEW-DYEKYZERSA-N 2 0 267.373 -0.225 20 0 CBADRP C[N@H+](C[C@@H](O)CNC[C@]1(O)CC[NH+](C)C1)C1CC1 ZINC000702561637 790722509 /nfs/dbraw/zinc/72/25/09/790722509.db2.gz JHVGNCRZEOECGV-QWHCGFSZSA-N 2 0 257.378 -0.902 20 0 CBADRP CNC(=O)CN1CCC([NH2+][C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000709357261 790737335 /nfs/dbraw/zinc/73/73/35/790737335.db2.gz QDDOMQKJAVYMTR-AAEUAGOBSA-N 2 0 268.405 -0.073 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000715100277 790751986 /nfs/dbraw/zinc/75/19/86/790751986.db2.gz GCZYLHQTPKRLAK-XQQFMLRXSA-N 2 0 267.373 -0.096 20 0 CBADRP C[C@@H]1[C@H](NC(=O)c2c(C[NH3+])cnn2C)CC[N@@H+]1C ZINC000719410859 790759763 /nfs/dbraw/zinc/75/97/63/790759763.db2.gz RPILOUGYNOHBIJ-PSASIEDQSA-N 2 0 251.334 -0.299 20 0 CBADRP C[C@H]1[C@@H](NC(=O)c2c(C[NH3+])cnn2C)CC[N@@H+]1C ZINC000719410862 790760518 /nfs/dbraw/zinc/76/05/18/790760518.db2.gz RPILOUGYNOHBIJ-WPRPVWTQSA-N 2 0 251.334 -0.299 20 0 CBADRP [NH3+]CCOCC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000720435693 790764563 /nfs/dbraw/zinc/76/45/63/790764563.db2.gz JSAIMYXLWGQVCD-QWRGUYRKSA-N 2 0 273.402 -0.342 20 0 CBADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1CC[NH3+] ZINC000723883290 790801369 /nfs/dbraw/zinc/80/13/69/790801369.db2.gz OEGBVICZDJHAHE-NXEZZACHSA-N 2 0 254.334 -0.545 20 0 CBADRP CC1(C)NC(=O)N(CC[N@@H+]2CC[C@H](CC[NH3+])C2)C1=O ZINC000723679365 790801488 /nfs/dbraw/zinc/80/14/88/790801488.db2.gz AWEWEUINCGXORF-JTQLQIEISA-N 2 0 268.361 -0.013 20 0 CBADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723887319 790801980 /nfs/dbraw/zinc/80/19/80/790801980.db2.gz SRAJQOSUFJTCKK-JHJVBQTASA-N 2 0 260.378 -0.073 20 0 CBADRP Cn1c(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc(=O)n(C)c1=O ZINC000723678478 790802109 /nfs/dbraw/zinc/80/21/09/790802109.db2.gz SQAGOPQJFGUMBI-SNVBAGLBSA-N 2 0 266.345 -0.745 20 0 CBADRP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1CC[NH3+] ZINC000723901626 790802705 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CBADRP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001022089869 790989443 /nfs/dbraw/zinc/98/94/43/790989443.db2.gz NGSLLWPSQCSRHJ-DEQVHRJGSA-N 2 0 281.400 -0.054 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001022164876 790993822 /nfs/dbraw/zinc/99/38/22/790993822.db2.gz SNNYANZNADZLNS-RVMXOQNASA-N 2 0 296.415 -0.029 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022292700 791001500 /nfs/dbraw/zinc/00/15/00/791001500.db2.gz PUNKHJOHIUTKOS-AXFHLTTASA-N 2 0 268.361 -0.807 20 0 CBADRP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001022534419 791020758 /nfs/dbraw/zinc/02/07/58/791020758.db2.gz UYVAQTOYGJAWLV-PHIMTYICSA-N 2 0 282.388 -0.417 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)CC1 ZINC001022648534 791039423 /nfs/dbraw/zinc/03/94/23/791039423.db2.gz WZACIHSUGRKADP-TXEJJXNPSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001022712758 791041079 /nfs/dbraw/zinc/04/10/79/791041079.db2.gz ZDWGBZMWXGMFFY-FVCCEPFGSA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001022712760 791041260 /nfs/dbraw/zinc/04/12/60/791041260.db2.gz ZDWGBZMWXGMFFY-RVMXOQNASA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022716291 791041305 /nfs/dbraw/zinc/04/13/05/791041305.db2.gz UUUDSHYKILVXOI-GARJFASQSA-N 2 0 268.361 -0.950 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1)C(N)=O ZINC001022712677 791041412 /nfs/dbraw/zinc/04/14/12/791041412.db2.gz XIXZKVLBCXZPQZ-WUHRBBMRSA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@H]2O)CC[N@@H+]1C ZINC001077023465 805673028 /nfs/dbraw/zinc/67/30/28/805673028.db2.gz BASSWFRGCNOQCI-FMKGYKFTSA-N 2 0 281.400 -0.102 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@H]2O)CC[N@@H+]1C ZINC001077023468 805673863 /nfs/dbraw/zinc/67/38/63/805673863.db2.gz BGBBZSQSJFXJNF-FDYHWXHSSA-N 2 0 287.379 -0.153 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)CC[N@@H+]1C ZINC001077572828 805751692 /nfs/dbraw/zinc/75/16/92/805751692.db2.gz PLALVOHQTFXATF-IGQOVBAYSA-N 2 0 299.415 -0.740 20 0 CBADRP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618419 805756742 /nfs/dbraw/zinc/75/67/42/805756742.db2.gz HYBLQFBXIBFOMH-CHWSQXEVSA-N 2 0 285.388 -0.864 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001147886278 814925090 /nfs/dbraw/zinc/92/50/90/814925090.db2.gz SWTYZGBPYVCUQR-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078006662 805824291 /nfs/dbraw/zinc/82/42/91/805824291.db2.gz AWHFZBJTGNEHEZ-IJLUTSLNSA-N 2 0 255.362 -0.491 20 0 CBADRP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078006031 805823177 /nfs/dbraw/zinc/82/31/77/805823177.db2.gz QCVNCCXEYDVSAL-JHJVBQTASA-N 2 0 285.388 -0.864 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC3)C[C@H]2O)C1 ZINC001078174545 805848740 /nfs/dbraw/zinc/84/87/40/805848740.db2.gz PATZNLMDTVFOGD-BFHYXJOUSA-N 2 0 281.400 -0.101 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977068 814927305 /nfs/dbraw/zinc/92/73/05/814927305.db2.gz HWACROSKLYGBAY-UHFFFAOYSA-N 2 0 282.388 -0.686 20 0 CBADRP O=C(C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2)NC1CC1 ZINC001147977139 814927844 /nfs/dbraw/zinc/92/78/44/814927844.db2.gz KPGKSQRFJHKQAV-UHFFFAOYSA-N 2 0 280.372 -0.933 20 0 CBADRP Cn1cc(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001147970136 814928171 /nfs/dbraw/zinc/92/81/71/814928171.db2.gz AHARUEQQUCXRIL-UHFFFAOYSA-N 2 0 277.372 -0.278 20 0 CBADRP Cn1cncc1C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147970168 814928226 /nfs/dbraw/zinc/92/82/26/814928226.db2.gz BCLYJMXAYINNDE-UHFFFAOYSA-N 2 0 277.372 -0.278 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C ZINC001147995060 814928658 /nfs/dbraw/zinc/92/86/58/814928658.db2.gz XMAOETBPOIPIRQ-NSHDSACASA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C(=O)NC1CC1 ZINC001148001039 814929026 /nfs/dbraw/zinc/92/90/26/814929026.db2.gz XJVVWYSUGMVTCG-LLVKDONJSA-N 2 0 294.399 -0.545 20 0 CBADRP CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001082328881 806164289 /nfs/dbraw/zinc/16/42/89/806164289.db2.gz QCUQLUBSGGUTTO-VXGBXAGGSA-N 2 0 267.373 -0.083 20 0 CBADRP CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328794 806165105 /nfs/dbraw/zinc/16/51/05/806165105.db2.gz LUVPIIBFTRSQFY-JHJVBQTASA-N 2 0 297.399 -0.722 20 0 CBADRP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082369637 806169859 /nfs/dbraw/zinc/16/98/59/806169859.db2.gz VEYDQVKDCWHPEY-QJPTWQEYSA-N 2 0 255.362 -0.227 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CCO ZINC001082520440 806184645 /nfs/dbraw/zinc/18/46/45/806184645.db2.gz XDNAKZAVTVAOSG-FDYHWXHSSA-N 2 0 269.389 -0.245 20 0 CBADRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(N)=O ZINC001082742542 806193328 /nfs/dbraw/zinc/19/33/28/806193328.db2.gz JIMOHPUFHHHUQT-QJPTWQEYSA-N 2 0 282.388 -0.750 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1 ZINC001082923509 806199050 /nfs/dbraw/zinc/19/90/50/806199050.db2.gz MTIGGWJICHJFAQ-HZSPNIEDSA-N 2 0 299.415 -0.617 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C(=O)NC1CC1 ZINC001148001040 814929764 /nfs/dbraw/zinc/92/97/64/814929764.db2.gz XJVVWYSUGMVTCG-NSHDSACASA-N 2 0 294.399 -0.545 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2O)CC[N@@H+]1C ZINC001083472505 806334483 /nfs/dbraw/zinc/33/44/83/806334483.db2.gz BGBBZSQSJFXJNF-LPWJVIDDSA-N 2 0 287.379 -0.153 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466273 806336752 /nfs/dbraw/zinc/33/67/52/806336752.db2.gz NNJJCJNBYXCWJT-XQQFMLRXSA-N 2 0 267.373 -0.491 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148051821 814930724 /nfs/dbraw/zinc/93/07/24/814930724.db2.gz XCOVJSJNUZVTGL-LLVKDONJSA-N 2 0 296.371 -0.526 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)CC[N@@H+]1C ZINC001083728300 806417813 /nfs/dbraw/zinc/41/78/13/806417813.db2.gz PLALVOHQTFXATF-FQUUOJAGSA-N 2 0 299.415 -0.740 20 0 CBADRP COCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749598 806423198 /nfs/dbraw/zinc/42/31/98/806423198.db2.gz HYBLQFBXIBFOMH-OLZOCXBDSA-N 2 0 285.388 -0.864 20 0 CBADRP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750122 806422095 /nfs/dbraw/zinc/42/20/95/806422095.db2.gz GVQXSFCGMFPURG-YUTCNCBUSA-N 2 0 299.415 -0.476 20 0 CBADRP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833456 806442651 /nfs/dbraw/zinc/44/26/51/806442651.db2.gz BUFGANWZWOFFNZ-YUTCNCBUSA-N 2 0 299.415 -0.740 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959358 806470529 /nfs/dbraw/zinc/47/05/29/806470529.db2.gz SMFKOZPFTOZWQT-MNOVXSKESA-N 2 0 253.346 -0.737 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2O)C1 ZINC001083953464 806467388 /nfs/dbraw/zinc/46/73/88/806467388.db2.gz UEPJMOUUFSJOPV-XQQFMLRXSA-N 2 0 287.379 -0.151 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001083962060 806471013 /nfs/dbraw/zinc/47/10/13/806471013.db2.gz UDDSGUDKYDEMMG-YPMHNXCESA-N 2 0 278.356 -0.058 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2O)C1 ZINC001084053706 806482092 /nfs/dbraw/zinc/48/20/92/806482092.db2.gz HYMFIYJMADGMOT-TUAOUCFPSA-N 2 0 273.352 -0.541 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCO)C[C@H]21 ZINC001084455476 806519440 /nfs/dbraw/zinc/51/94/40/806519440.db2.gz WUOFCKHMUXOXFO-MGPQQGTHSA-N 2 0 281.400 -0.004 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC3(C2)CC[N@H+](CCO)C3)CC1 ZINC001148161627 814931695 /nfs/dbraw/zinc/93/16/95/814931695.db2.gz YEKKSGFMPKWQBV-UHFFFAOYSA-N 2 0 281.400 -0.145 20 0 CBADRP Cc1nccn1CC(=O)N1C[C@H]2CCN(CC(N)=O)C[C@H]21 ZINC001084832961 806538934 /nfs/dbraw/zinc/53/89/34/806538934.db2.gz HQCJNWQXKSCLCM-VXGBXAGGSA-N 2 0 291.355 -0.790 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC2(C1)CCN(CC(N)=O)C2 ZINC001148174749 814931978 /nfs/dbraw/zinc/93/19/78/814931978.db2.gz SVTLSSSICDYRBG-UHFFFAOYSA-N 2 0 282.388 -0.652 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001086047350 806639474 /nfs/dbraw/zinc/63/94/74/806639474.db2.gz NLDVMKVOWUBUIO-GRYCIOLGSA-N 2 0 255.362 -0.443 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022806803 798842248 /nfs/dbraw/zinc/84/22/48/798842248.db2.gz ARDLCSNVKWBJJB-FRRDWIJNSA-N 2 0 296.415 -0.029 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001022838389 798843110 /nfs/dbraw/zinc/84/31/10/798843110.db2.gz MNXUATOKEDRXLT-RNJOBUHISA-N 2 0 294.399 -0.275 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001022838390 798843497 /nfs/dbraw/zinc/84/34/97/798843497.db2.gz MNXUATOKEDRXLT-XQHKEYJVSA-N 2 0 294.399 -0.275 20 0 CBADRP CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1=O ZINC001023086873 798879332 /nfs/dbraw/zinc/87/93/32/798879332.db2.gz ZVURNLRDAYIRSJ-RVMXOQNASA-N 2 0 294.399 -0.594 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001023084112 798879528 /nfs/dbraw/zinc/87/95/28/798879528.db2.gz JCNCGSLAIMMCNO-WISYIIOYSA-N 2 0 280.372 -0.937 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001023083885 798880043 /nfs/dbraw/zinc/88/00/43/798880043.db2.gz CGLUCNZFXSIBJV-XWLWVQCSSA-N 2 0 268.361 -0.951 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001023128672 798885011 /nfs/dbraw/zinc/88/50/11/798885011.db2.gz OBEZOPXPIHQYGN-WUHRBBMRSA-N 2 0 296.415 -0.029 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001025707992 798971859 /nfs/dbraw/zinc/97/18/59/798971859.db2.gz IBCZPPDLIUJKAD-FPYNETTCSA-N 2 0 294.399 -0.609 20 0 CBADRP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001025708335 798972470 /nfs/dbraw/zinc/97/24/70/798972470.db2.gz PGOZZTKUSNBVOX-IEECTRCBSA-N 2 0 294.399 -0.739 20 0 CBADRP C[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001026040814 798987425 /nfs/dbraw/zinc/98/74/25/798987425.db2.gz IMOWJWRTYBPPDK-MOWSAHLDSA-N 2 0 294.399 -0.609 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001026146081 798993168 /nfs/dbraw/zinc/99/31/68/798993168.db2.gz SMOKTVWKUVFTMI-LBELIVKGSA-N 2 0 294.399 -0.752 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001026146078 798993378 /nfs/dbraw/zinc/99/33/78/798993378.db2.gz SMOKTVWKUVFTMI-BNDIWNMDSA-N 2 0 294.399 -0.752 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001026145832 798993530 /nfs/dbraw/zinc/99/35/30/798993530.db2.gz OCHNKNBVPZUHJJ-OBPIAQAESA-N 2 0 267.373 -0.635 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]12 ZINC001026421784 799004020 /nfs/dbraw/zinc/00/40/20/799004020.db2.gz WMDYXVOZFKVYQM-JHJVBQTASA-N 2 0 294.399 -0.606 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001026421785 799004700 /nfs/dbraw/zinc/00/47/00/799004700.db2.gz WMDYXVOZFKVYQM-RWMBFGLXSA-N 2 0 294.399 -0.606 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001026515785 799006770 /nfs/dbraw/zinc/00/67/70/799006770.db2.gz JRIJJWNPTVMTGF-WXRRBKDZSA-N 2 0 296.415 -0.027 20 0 CBADRP C[NH+]1CCC(C(=O)NC2CCC([NH2+]CC(N)=O)CC2)CC1 ZINC001026553204 799009279 /nfs/dbraw/zinc/00/92/79/799009279.db2.gz RCBHAJDAFOQXSF-UHFFFAOYSA-N 2 0 296.415 -0.170 20 0 CBADRP O=C(NC[C@H]1CCC[N@H+]1CCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001027885362 799094767 /nfs/dbraw/zinc/09/47/67/799094767.db2.gz DCCVZKDMBVWOHU-ZIAGYGMSSA-N 2 0 281.400 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCO)C1 ZINC001028445355 799137567 /nfs/dbraw/zinc/13/75/67/799137567.db2.gz ODKGKQQRPOXGHR-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028546328 799151970 /nfs/dbraw/zinc/15/19/70/799151970.db2.gz ZEBNVPNOTCZRTI-AAEUAGOBSA-N 2 0 294.399 -0.748 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CCO)C2)CC[N@@H+]1C ZINC001028549187 799152031 /nfs/dbraw/zinc/15/20/31/799152031.db2.gz NOUVZKZBKQCPBN-JHJVBQTASA-N 2 0 269.389 -0.243 20 0 CBADRP NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028659894 799159573 /nfs/dbraw/zinc/15/95/73/799159573.db2.gz ZQJXXRLZOQFMNP-LBPRGKRZSA-N 2 0 294.399 -0.462 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028931416 799181533 /nfs/dbraw/zinc/18/15/33/799181533.db2.gz QEFGLHARROQYSC-RYUDHWBXSA-N 2 0 294.399 -0.606 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001028982440 799184641 /nfs/dbraw/zinc/18/46/41/799184641.db2.gz KWYAFCDYMGTZSD-STQMWFEESA-N 2 0 269.389 -0.241 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001030019493 799211462 /nfs/dbraw/zinc/21/14/62/799211462.db2.gz YZCCFHXONFNJEC-YNEHKIRRSA-N 2 0 296.415 -0.204 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC2C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001031384822 799481312 /nfs/dbraw/zinc/48/13/12/799481312.db2.gz NDLAQBLQHKCXRJ-NWDGAFQWSA-N 2 0 267.373 -0.225 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCO)C1 ZINC001031578499 799512564 /nfs/dbraw/zinc/51/25/64/799512564.db2.gz ZGSWXNIEMMXQSN-LBPRGKRZSA-N 2 0 255.362 -0.489 20 0 CBADRP O=C(NCC1C[NH+](CCCO)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688225 799534151 /nfs/dbraw/zinc/53/41/51/799534151.db2.gz ATDJGQLZPRXDJQ-KGLIPLIRSA-N 2 0 297.399 -0.720 20 0 CBADRP C[NH+](C)Cc1ccoc1C(=O)NCC1C[NH+](CCO)C1 ZINC001031932038 799563762 /nfs/dbraw/zinc/56/37/62/799563762.db2.gz QLEDFPBOVKRTDS-UHFFFAOYSA-N 2 0 281.356 -0.005 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCn3cncn3)C2)C1 ZINC001032185842 799589940 /nfs/dbraw/zinc/58/99/40/799589940.db2.gz DEWVCCHYUMZSNG-CYBMUJFWSA-N 2 0 292.387 -0.722 20 0 CBADRP Cn1cncc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032759257 799663390 /nfs/dbraw/zinc/66/33/90/799663390.db2.gz FZJJSORQUKMEMN-STQMWFEESA-N 2 0 278.356 -0.370 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CCO)C2)CC[N@@H+]1C ZINC001033091928 799716078 /nfs/dbraw/zinc/71/60/78/799716078.db2.gz OBYCQPLZPDZEIA-FRRDWIJNSA-N 2 0 269.389 -0.148 20 0 CBADRP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCO)C1 ZINC001033777286 799789166 /nfs/dbraw/zinc/78/91/66/799789166.db2.gz UOOUPPPKBOZTPE-OLZOCXBDSA-N 2 0 269.389 -0.004 20 0 CBADRP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCO)C1 ZINC001033777290 799789521 /nfs/dbraw/zinc/78/95/21/799789521.db2.gz UOOUPPPKBOZTPE-STQMWFEESA-N 2 0 269.389 -0.004 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](CCO)C2)C1 ZINC001034523967 799844778 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ITMINGQWWSZFMC-NWDGAFQWSA-N 2 0 294.399 -0.606 20 0 CBADRP NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001036895788 800012640 /nfs/dbraw/zinc/01/26/40/800012640.db2.gz DPNXCBNHQWQXTM-OLZOCXBDSA-N 2 0 294.399 -0.510 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001036895651 800013365 /nfs/dbraw/zinc/01/33/65/800013365.db2.gz BQTITVNNEZFWHK-KBPBESRZSA-N 2 0 281.400 -0.003 20 0 CBADRP CC[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037977508 800027108 /nfs/dbraw/zinc/02/71/08/800027108.db2.gz HYNYNOLGXBIZJG-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001038144184 800062477 /nfs/dbraw/zinc/06/24/77/800062477.db2.gz WUVRPLWAGAJOQW-NEPJUHHUSA-N 2 0 255.362 -0.084 20 0 CBADRP CC(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001038144190 800062770 /nfs/dbraw/zinc/06/27/70/800062770.db2.gz WUVRPLWAGAJOQW-RYUDHWBXSA-N 2 0 255.362 -0.084 20 0 CBADRP CC(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001038144188 800063746 /nfs/dbraw/zinc/06/37/46/800063746.db2.gz WUVRPLWAGAJOQW-NWDGAFQWSA-N 2 0 255.362 -0.084 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+]2CCCO)CC[N@@H+]1C ZINC001038267522 800091900 /nfs/dbraw/zinc/09/19/00/800091900.db2.gz BOEDIWKONDZKHU-JHJVBQTASA-N 2 0 269.389 -0.101 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2CCCO)C1 ZINC001039028795 801281810 /nfs/dbraw/zinc/28/18/10/801281810.db2.gz QWVKBLXLJKWCNL-RYUDHWBXSA-N 2 0 255.362 -0.489 20 0 CBADRP COCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039028285 801282089 /nfs/dbraw/zinc/28/20/89/801282089.db2.gz NBESGDUBVCDAID-RYUDHWBXSA-N 2 0 255.362 -0.225 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC(N)=O)C2)C1 ZINC001041141927 801368660 /nfs/dbraw/zinc/36/86/60/801368660.db2.gz RRVODYSFGVLBFJ-SWLSCSKDSA-N 2 0 294.399 -0.510 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCO)C2)C1 ZINC001041142117 801369062 /nfs/dbraw/zinc/36/90/62/801369062.db2.gz UCYQJTSHUDPRFW-ZFWWWQNUSA-N 2 0 281.400 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/nfs/dbraw/zinc/83/39/05/801833905.db2.gz UVVWPWPPIXFXQS-RDBSUJKOSA-N 2 0 281.400 -0.006 20 0 CBADRP CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001047324109 801835095 /nfs/dbraw/zinc/83/50/95/801835095.db2.gz IPSDGXJGPPJDAW-AVGNSLFASA-N 2 0 269.389 -0.006 20 0 CBADRP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047384758 801859005 /nfs/dbraw/zinc/85/90/05/801859005.db2.gz HQWWRPFXLUTBKW-MQYQWHSLSA-N 2 0 299.415 -0.524 20 0 CBADRP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598518 801909319 /nfs/dbraw/zinc/90/93/19/801909319.db2.gz MURWSXHKRWVUAR-STQMWFEESA-N 2 0 297.399 -0.768 20 0 CBADRP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001047629003 801914331 /nfs/dbraw/zinc/91/43/31/801914331.db2.gz ONEKJEUWVXKQRX-WOPDTQHZSA-N 2 0 255.362 -0.539 20 0 CBADRP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001047629002 801914868 /nfs/dbraw/zinc/91/48/68/801914868.db2.gz ONEKJEUWVXKQRX-SRVKXCTJSA-N 2 0 255.362 -0.539 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCCO)C[C@@H]2C1 ZINC001048724395 801959143 /nfs/dbraw/zinc/95/91/43/801959143.db2.gz YZJHWJCNIWHNLX-HZSPNIEDSA-N 2 0 281.400 -0.147 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)C[C@@H]3C2)CC[N@@H+]1C ZINC001048828968 801972902 /nfs/dbraw/zinc/97/29/02/801972902.db2.gz FCTCAODBLDNXGX-FVCCEPFGSA-N 2 0 294.399 -0.798 20 0 CBADRP CC[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@@H]2C1)[NH+](C)C ZINC001048887621 801977842 /nfs/dbraw/zinc/97/78/42/801977842.db2.gz DCQWYVJSIULOKQ-WUHRBBMRSA-N 2 0 296.415 -0.409 20 0 CBADRP COCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049212367 802006439 /nfs/dbraw/zinc/00/64/39/802006439.db2.gz BKLLJMWGXUHMRO-MCIONIFRSA-N 2 0 281.400 -0.025 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050456295 802064076 /nfs/dbraw/zinc/06/40/76/802064076.db2.gz GHCIGHAJUZOFPQ-CYBMUJFWSA-N 2 0 281.400 -0.003 20 0 CBADRP CC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001051903336 802170780 /nfs/dbraw/zinc/17/07/80/802170780.db2.gz RJRZWOUVEMXBMG-LBPRGKRZSA-N 2 0 267.373 -0.081 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CC(N)=O)CC2)CC[N@@H+]1C ZINC001052391740 802197671 /nfs/dbraw/zinc/19/76/71/802197671.db2.gz QVICENFTMJVRDG-FRRDWIJNSA-N 2 0 296.415 -0.217 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001052931963 802225814 /nfs/dbraw/zinc/22/58/14/802225814.db2.gz DZQGKPCTOKHMCC-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1)[NH+](C)C ZINC001054296513 802330106 /nfs/dbraw/zinc/33/01/06/802330106.db2.gz YZCCFHXONFNJEC-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1[NH2+]CC(N)=O ZINC001054736541 802367431 /nfs/dbraw/zinc/36/74/31/802367431.db2.gz KJMURTVEGBWHCL-JQWIXIFHSA-N 2 0 282.388 -0.608 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210184 814934730 /nfs/dbraw/zinc/93/47/30/814934730.db2.gz ISISRBGZPCMJPG-ZDUSSCGKSA-N 2 0 299.415 -0.520 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)c2cn(CCC[NH3+])nn2)CC[NH2+]1 ZINC001118146853 812479072 /nfs/dbraw/zinc/47/90/72/812479072.db2.gz DLNITHWCAURQDD-NXEZZACHSA-N 2 0 266.349 -0.503 20 0 CBADRP [NH3+]CC(C[NH3+])NCCCS(=O)(=O)c1ccc(F)cc1 ZINC001119619113 812836201 /nfs/dbraw/zinc/83/62/01/812836201.db2.gz VTUVOHQQNPOTTD-UHFFFAOYSA-N 2 0 289.376 -0.135 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC001119682428 812866540 /nfs/dbraw/zinc/86/65/40/812866540.db2.gz JDTAGMNNSKGTAD-VJTDZRGJSA-N 2 0 269.389 -0.632 20 0 CBADRP O[C@H](C[NH2+]CCC[NH+]1CCCC1)C[C@]1(O)CCOC1 ZINC001120243974 812941337 /nfs/dbraw/zinc/94/13/37/812941337.db2.gz JWMZJKRRNKFNCO-UONOGXRCSA-N 2 0 272.389 -0.036 20 0 CBADRP C[NH+]1CCC(OCC(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC001121930331 813091433 /nfs/dbraw/zinc/09/14/33/813091433.db2.gz DIKIGGPOQXOPHY-LBPRGKRZSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001121933727 813091854 /nfs/dbraw/zinc/09/18/54/813091854.db2.gz SXNCHZIBHSVTOD-MBNYWOFBSA-N 2 0 267.373 -0.156 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001122021755 813105736 /nfs/dbraw/zinc/10/57/36/813105736.db2.gz OAXGUKOAMDSOHT-GRYCIOLGSA-N 2 0 252.362 -0.900 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001122103243 813117862 /nfs/dbraw/zinc/11/78/62/813117862.db2.gz XCSDUZCEFMIVKD-NRUUGDAUSA-N 2 0 266.345 -0.167 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C[C@H](O)C[NH2+]1 ZINC001122102675 813118129 /nfs/dbraw/zinc/11/81/29/813118129.db2.gz AUXOGOSZLFKTNY-UHIISALHSA-N 2 0 269.389 -0.006 20 0 CBADRP C[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCN2C)[C@H]1CC[NH3+] ZINC001122126603 813121185 /nfs/dbraw/zinc/12/11/85/813121185.db2.gz JEUGHKZRKLRRPI-AGIUHOORSA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@@]1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[C@H](O)C[NH2+]1 ZINC001122126143 813121226 /nfs/dbraw/zinc/12/12/26/813121226.db2.gz MDCVOOVVCGJKNS-IMIFBBOLSA-N 2 0 267.373 -0.313 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001122127047 813121332 /nfs/dbraw/zinc/12/13/32/813121332.db2.gz SIDKMQRBDZKMKO-HNNXBMFYSA-N 2 0 299.415 -0.282 20 0 CBADRP C[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCN2C)[C@H]1CC[NH3+] ZINC001122126606 813121339 /nfs/dbraw/zinc/12/13/39/813121339.db2.gz JEUGHKZRKLRRPI-FRRDWIJNSA-N 2 0 268.405 -0.134 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001122131643 813121451 /nfs/dbraw/zinc/12/14/51/813121451.db2.gz BDHCFOIBLKVNRZ-GRYCIOLGSA-N 2 0 254.378 -0.654 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001122368087 813154543 /nfs/dbraw/zinc/15/45/43/813154543.db2.gz MGUHCRIFZITPMG-TUAOUCFPSA-N 2 0 257.378 -0.197 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC001122400344 813159693 /nfs/dbraw/zinc/15/96/93/813159693.db2.gz AOOZQBNHZUSJNZ-IUCAKERBSA-N 2 0 265.304 -0.194 20 0 CBADRP [NH3+]CC1(C(=O)NCC[C@H]2CCC[NH2+]CC2)CC(O)C1 ZINC001122505927 813172238 /nfs/dbraw/zinc/17/22/38/813172238.db2.gz SPJNKCDNUBTNPM-DCBWTQNWSA-N 2 0 269.389 -0.018 20 0 CBADRP CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294276 814237406 /nfs/dbraw/zinc/23/74/06/814237406.db2.gz AMLHNXCIZUKFDD-RYUDHWBXSA-N 2 0 286.420 -0.053 20 0 CBADRP CC(C)N1CC[C@@H]([NH2+]CCNC(=O)CC[NH+](C)C)C1=O ZINC001133291688 814237633 /nfs/dbraw/zinc/23/76/33/814237633.db2.gz WKDLXIKKMHQLTI-GFCCVEGCSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133291676 814237650 /nfs/dbraw/zinc/23/76/50/814237650.db2.gz VUIMBSLLVWIWMG-LBPRGKRZSA-N 2 0 286.420 -0.195 20 0 CBADRP Cn1nccc1C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294278 814237847 /nfs/dbraw/zinc/23/78/47/814237847.db2.gz ANIRTIKDTMKTDT-UHFFFAOYSA-N 2 0 253.350 -0.422 20 0 CBADRP CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133290792 814238062 /nfs/dbraw/zinc/23/80/62/814238062.db2.gz CIHSMVUMLZKISF-GFCCVEGCSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H](C[NH2+]CCNC(=O)CC[NH+](C)C)CS(C)(=O)=O ZINC001133291002 814238256 /nfs/dbraw/zinc/23/82/56/814238256.db2.gz HEABQRYBFKSLES-NSHDSACASA-N 2 0 293.433 -0.675 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133842535 814306053 /nfs/dbraw/zinc/30/60/53/814306053.db2.gz UTZBPRPRHLWYLP-GFCCVEGCSA-N 2 0 294.403 -0.154 20 0 CBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133982835 814332697 /nfs/dbraw/zinc/33/26/97/814332697.db2.gz OZPPHVLQLHCXAZ-NEPJUHHUSA-N 2 0 286.420 -0.053 20 0 CBADRP O=C(CN1CCc2sccc2C1)NCC[NH2+]CCO ZINC001142223995 814703737 /nfs/dbraw/zinc/70/37/37/814703737.db2.gz UOEZEPKXEDVXFG-UHFFFAOYSA-N 2 0 283.397 -0.196 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC(C)C ZINC001148570464 814950982 /nfs/dbraw/zinc/95/09/82/814950982.db2.gz FBOPFFLPEGYKIJ-UHFFFAOYSA-N 2 0 286.420 -0.051 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001148550957 814949965 /nfs/dbraw/zinc/94/99/65/814949965.db2.gz AXXCIEUOHFRBBF-UHFFFAOYSA-N 2 0 269.389 -0.145 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001148577850 814950851 /nfs/dbraw/zinc/95/08/51/814950851.db2.gz GMLRBNXEWLONHC-UHFFFAOYSA-N 2 0 299.419 -0.551 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)CC ZINC001148638985 814953865 /nfs/dbraw/zinc/95/38/65/814953865.db2.gz WMAJJSZSLVSACB-LBPRGKRZSA-N 2 0 286.420 -0.051 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H]1CCN(CC)C1=O ZINC001148642062 814953908 /nfs/dbraw/zinc/95/39/08/814953908.db2.gz DEQOKPRCTLXWFT-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001148656316 814956511 /nfs/dbraw/zinc/95/65/11/814956511.db2.gz ZAHCHTGEJFGGMP-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP CNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001322568078 803911528 /nfs/dbraw/zinc/91/15/28/803911528.db2.gz DIWUDCDLLUIWCE-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001322678213 803926762 /nfs/dbraw/zinc/92/67/62/803926762.db2.gz MKRQFJFKLKXQJB-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001322678575 803926818 /nfs/dbraw/zinc/92/68/18/803926818.db2.gz PSEWEQHDOLCEOY-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@H](C(=O)N(C)CCC[NH2+]CC(N)=O)[NH+](C)C ZINC001322791667 803938593 /nfs/dbraw/zinc/93/85/93/803938593.db2.gz BWHSVKAQNSMFHV-SNVBAGLBSA-N 2 0 258.366 -0.750 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCO)C1CC1 ZINC001323048740 803970704 /nfs/dbraw/zinc/97/07/04/803970704.db2.gz UTYZDRNDXFFOLJ-STQMWFEESA-N 2 0 269.389 -0.053 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]CCCO)C1CC1 ZINC001323108740 803977741 /nfs/dbraw/zinc/97/77/41/803977741.db2.gz NABHIHLDQZNPEC-CYBMUJFWSA-N 2 0 269.389 -0.051 20 0 CBADRP O=C(Cn1ccnc1)N[C@H](C[NH2+]CCCO)C1CC1 ZINC001323127125 803979876 /nfs/dbraw/zinc/97/98/76/803979876.db2.gz VLIBRWRSLIMTKR-GFCCVEGCSA-N 2 0 266.345 -0.250 20 0 CBADRP Cc1nccn1CC(=O)NC[C@H]1CCN1CCOCCO ZINC001323358693 804014904 /nfs/dbraw/zinc/01/49/04/804014904.db2.gz WNKJQYXHUQHNAH-CYBMUJFWSA-N 2 0 296.371 -0.609 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CC1 ZINC001160456906 815624828 /nfs/dbraw/zinc/62/48/28/815624828.db2.gz TXILBIAOVVBKPB-RWMBFGLXSA-N 2 0 266.389 -0.606 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CCO ZINC001324249758 804125725 /nfs/dbraw/zinc/12/57/25/804125725.db2.gz BUAAETOMIWZLQS-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CCOCCO)C1 ZINC001324649334 804184774 /nfs/dbraw/zinc/18/47/74/804184774.db2.gz YFDJHUPXMHCOLY-CQSZACIVSA-N 2 0 287.404 -0.472 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001325380776 804281594 /nfs/dbraw/zinc/28/15/94/804281594.db2.gz PDYVPASBGOGZIM-CHWSQXEVSA-N 2 0 294.399 -0.449 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC001325380788 804281625 /nfs/dbraw/zinc/28/16/25/804281625.db2.gz PJASOYKVKFFZBP-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001325392434 804282207 /nfs/dbraw/zinc/28/22/07/804282207.db2.gz IDFCFEWYSBRLQG-IJLUTSLNSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001325392438 804282865 /nfs/dbraw/zinc/28/28/65/804282865.db2.gz IDFCFEWYSBRLQG-WOPDTQHZSA-N 2 0 284.404 -0.171 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC001325394371 804284602 /nfs/dbraw/zinc/28/46/02/804284602.db2.gz PQICVQHGYWGOBH-YNEHKIRRSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC001325696179 804306504 /nfs/dbraw/zinc/30/65/04/804306504.db2.gz QTTAMXWYUJMFQM-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC001325712778 804307943 /nfs/dbraw/zinc/30/79/43/804307943.db2.gz NPUWDGUJVXFVLU-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP Cc1nccnc1CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001325853583 804325626 /nfs/dbraw/zinc/32/56/26/804325626.db2.gz HKTIFEBQKDHQCB-AWEZNQCLSA-N 2 0 293.415 -0.475 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCO)CCCO1)C1CC1 ZINC001149842597 815011549 /nfs/dbraw/zinc/01/15/49/815011549.db2.gz VUFQXHWGMDAFGU-ZIAGYGMSSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@H]2C[N@H+](CCO)CCCO2)CCC1 ZINC001149841919 815012061 /nfs/dbraw/zinc/01/20/61/815012061.db2.gz MNBPHWUCGPJVNI-ZDUSSCGKSA-N 2 0 299.415 -0.330 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NC[C@H]1C[N@H+](CCO)CCCO1)C1CC1 ZINC001149842596 815012076 /nfs/dbraw/zinc/01/20/76/815012076.db2.gz VUFQXHWGMDAFGU-UONOGXRCSA-N 2 0 299.415 -0.474 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCO)CCCO1 ZINC001150796624 815044478 /nfs/dbraw/zinc/04/44/78/815044478.db2.gz WPDFYJJZDFWJNV-CYBMUJFWSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151048485 815052427 /nfs/dbraw/zinc/05/24/27/815052427.db2.gz BOVKNYZEHGLWDJ-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP Cn1nccc1C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049247 815053518 /nfs/dbraw/zinc/05/35/18/815053518.db2.gz LGIPNBYRAVTIAA-NSHDSACASA-N 2 0 265.361 -0.422 20 0 CBADRP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001151049576 815053715 /nfs/dbraw/zinc/05/37/15/815053715.db2.gz SJHSFFRMZDXBKH-NSHDSACASA-N 2 0 293.371 -0.357 20 0 CBADRP Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001151049591 815054397 /nfs/dbraw/zinc/05/43/97/815054397.db2.gz SVIPCKPVHSWZAV-ZDUSSCGKSA-N 2 0 294.403 -0.448 20 0 CBADRP CCC(C)(C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049582 815054434 /nfs/dbraw/zinc/05/44/34/815054434.db2.gz SNTZYCSATUZZPW-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070217574 805176662 /nfs/dbraw/zinc/17/66/62/805176662.db2.gz JBEGCYGUMSTRPX-UPJWGTAASA-N 2 0 294.403 -0.020 20 0 CBADRP CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049416 815055786 /nfs/dbraw/zinc/05/57/86/815055786.db2.gz NVODKBLVPKJGAL-LBPRGKRZSA-N 2 0 294.403 -0.236 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151073056 815056945 /nfs/dbraw/zinc/05/69/45/815056945.db2.gz FLOXZFMYCDHRLO-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP COc1cncc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001151065616 815056622 /nfs/dbraw/zinc/05/66/22/815056622.db2.gz LRTSWOMCZPQVMN-LLVKDONJSA-N 2 0 293.371 -0.357 20 0 CBADRP Cc1nccnc1C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151065727 815057941 /nfs/dbraw/zinc/05/79/41/815057941.db2.gz NKAFEMIDOOLISP-GFCCVEGCSA-N 2 0 277.372 -0.057 20 0 CBADRP Cc1cc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)ncn1 ZINC001151066974 815058081 /nfs/dbraw/zinc/05/80/81/815058081.db2.gz ZLMFRVLUNMHCKA-LBPRGKRZSA-N 2 0 277.372 -0.057 20 0 CBADRP CCC(CC)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151073781 815058324 /nfs/dbraw/zinc/05/83/24/815058324.db2.gz PUXXJWGSUZBNLZ-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151074373 815058752 /nfs/dbraw/zinc/05/87/52/815058752.db2.gz XDXCWWHIQGYGOL-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151097285 815060514 /nfs/dbraw/zinc/06/05/14/815060514.db2.gz MOTNHHNZLPDUGU-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001072553843 805311715 /nfs/dbraw/zinc/31/17/15/805311715.db2.gz LHLNRKFJFGNZPS-CHWSQXEVSA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NC(=O)CC[NH+](C)C ZINC001072677025 805325654 /nfs/dbraw/zinc/32/56/54/805325654.db2.gz KFCJDTXSWOOBDY-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001072979607 805353661 /nfs/dbraw/zinc/35/36/61/805353661.db2.gz FMFIJVACLZBZAG-ZDUSSCGKSA-N 2 0 281.400 -0.003 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCO)CCCO2)CC[N@@H+]1C ZINC001073610804 805400042 /nfs/dbraw/zinc/40/00/42/805400042.db2.gz DOISDLHZHLZFEM-HZSPNIEDSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)CCC[NH+]1CCCCC1)C(N)=O ZINC001151361429 815072707 /nfs/dbraw/zinc/07/27/07/815072707.db2.gz GABVYDKIWMHKGQ-GFCCVEGCSA-N 2 0 284.404 -0.168 20 0 CBADRP O=C(CCC[NH+]1CCCCC1)NCC[NH2+][C@H]1CCNC1=O ZINC001151361982 815072890 /nfs/dbraw/zinc/07/28/90/815072890.db2.gz RJAQCBUHJJXRHV-ZDUSSCGKSA-N 2 0 296.415 -0.153 20 0 CBADRP COCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073890990 805422592 /nfs/dbraw/zinc/42/25/92/805422592.db2.gz KONUZPITDFCUSK-KBPBESRZSA-N 2 0 299.415 -0.208 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001074648831 805463831 /nfs/dbraw/zinc/46/38/31/805463831.db2.gz JKYPTPQKMBUTFH-RWMBFGLXSA-N 2 0 296.415 -0.077 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)[C@@H]1C)[NH+](C)C ZINC001074711084 805467488 /nfs/dbraw/zinc/46/74/88/805467488.db2.gz PYGWHATYDVANFW-WUHRBBMRSA-N 2 0 296.415 -0.206 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@@H]2C)C1 ZINC001074878364 805476270 /nfs/dbraw/zinc/47/62/70/805476270.db2.gz PNGIECXZWCYWJL-SRVKXCTJSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001076244554 805562120 /nfs/dbraw/zinc/56/21/20/805562120.db2.gz SRGGUDSKJJHORC-HZSPNIEDSA-N 2 0 281.400 -0.147 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]Cc1cnnn1C ZINC001152138171 815106978 /nfs/dbraw/zinc/10/69/78/815106978.db2.gz TYLXCNHNDDIMIP-VXGBXAGGSA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]CCOCCO ZINC001152148070 815107501 /nfs/dbraw/zinc/10/75/01/815107501.db2.gz OIOTZWJYPMXYKJ-BETUJISGSA-N 2 0 287.404 -0.426 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001152224416 815111159 /nfs/dbraw/zinc/11/11/59/815111159.db2.gz WTVUHZAVZYAEIU-NSHDSACASA-N 2 0 270.377 -0.558 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)CCC[NH+]2CCCC2)C1=O ZINC001152236911 815112570 /nfs/dbraw/zinc/11/25/70/815112570.db2.gz IFDVLSAIHAGWIX-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP O=C(CC[NH+]1CCCCC1)NCC[NH2+]CCCO ZINC001152349182 815116721 /nfs/dbraw/zinc/11/67/21/815116721.db2.gz VYXPSDDJOHVZAY-UHFFFAOYSA-N 2 0 257.378 -0.049 20 0 CBADRP O=C(CC[NH+]1CCCCC1)NCC[NH2+][C@@H]1CCCNC1=O ZINC001152340208 815116811 /nfs/dbraw/zinc/11/68/11/815116811.db2.gz IWWLBYORENAWDH-CYBMUJFWSA-N 2 0 296.415 -0.153 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152439191 815120856 /nfs/dbraw/zinc/12/08/56/815120856.db2.gz DDEHWDOUPFRMLK-UHFFFAOYSA-N 2 0 286.420 -0.099 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@H+](C)C(C)C)C1=O ZINC001152432544 815121125 /nfs/dbraw/zinc/12/11/25/815121125.db2.gz KKMFZCYQWUZDNN-GFCCVEGCSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1ccnn1C ZINC001152439151 815121202 /nfs/dbraw/zinc/12/12/02/815121202.db2.gz AVVZVUFPXQHJLM-UHFFFAOYSA-N 2 0 267.377 -0.034 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001152451914 815122887 /nfs/dbraw/zinc/12/28/87/815122887.db2.gz MACPZQNZRGHKPJ-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001152452095 815123027 /nfs/dbraw/zinc/12/30/27/815123027.db2.gz SDTIMZWZVIUPSP-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001152452022 815123076 /nfs/dbraw/zinc/12/30/76/815123076.db2.gz QBGXTUOUZXGEPH-JTQLQIEISA-N 2 0 256.350 -0.948 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)C)[NH+]1CCCC1 ZINC001152473131 815124469 /nfs/dbraw/zinc/12/44/69/815124469.db2.gz WBSNGZUSCNZTMR-AWEZNQCLSA-N 2 0 298.431 -0.099 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cn2cnccc2n1 ZINC001152490482 815125846 /nfs/dbraw/zinc/12/58/46/815125846.db2.gz IHOXJKBJEISNLP-UHFFFAOYSA-N 2 0 275.316 -0.196 20 0 CBADRP O=C(CCCC[NH+]1CCCC1)NCC[NH2+]CCO ZINC001153300495 815157093 /nfs/dbraw/zinc/15/70/93/815157093.db2.gz JBHWNWJRUWVGDI-UHFFFAOYSA-N 2 0 257.378 -0.049 20 0 CBADRP Cc1nc2c(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c[nH]n2n1 ZINC001154668649 815234352 /nfs/dbraw/zinc/23/43/52/815234352.db2.gz YFRODVWJSCUDBU-UHFFFAOYSA-N 2 0 278.320 -0.560 20 0 CBADRP C[C@@H](CN1CC[NH2+]CC1)Nc1ncc2c(n1)CC[NH2+]C2 ZINC001154748875 815237366 /nfs/dbraw/zinc/23/73/66/815237366.db2.gz SWTWDCUGSJUEKY-NSHDSACASA-N 2 0 276.388 -0.172 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])c1nccc(C2CC[NH2+]CC2)n1 ZINC001154770856 815239430 /nfs/dbraw/zinc/23/94/30/815239430.db2.gz SSTBGJGNFPOKLG-UHFFFAOYSA-N 2 0 299.400 -0.332 20 0 CBADRP [NH3+]Cc1ccnn1-c1cncc(N2CC[NH2+]CC2)n1 ZINC001155125669 815264866 /nfs/dbraw/zinc/26/48/66/815264866.db2.gz UYWXQNNTYOMHKA-UHFFFAOYSA-N 2 0 259.317 -0.469 20 0 CBADRP COC(=O)[C@@H]([NH3+])C1CCN(c2cc(C[NH3+])ncn2)CC1 ZINC001155153825 815267379 /nfs/dbraw/zinc/26/73/79/815267379.db2.gz SBEIQXSWDJPLJG-LBPRGKRZSA-N 2 0 279.344 -0.348 20 0 CBADRP [NH3+][C@H]1COC[C@H]1Nc1nc(Cl)nc2c1CC[NH2+]C2 ZINC001155345658 815278024 /nfs/dbraw/zinc/27/80/24/815278024.db2.gz IPRVCCCRBZYVJF-IONNQARKSA-N 2 0 269.736 -0.086 20 0 CBADRP c1nc(NC[C@]23C[NH2+]C[C@H]2COC3)cc(C2C[NH2+]C2)n1 ZINC001155514140 815290041 /nfs/dbraw/zinc/29/00/41/815290041.db2.gz DHCIAJUPSSGOFX-FZMZJTMJSA-N 2 0 275.356 -0.189 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ncnc3c2CC[NH2+]C3)N1 ZINC001155570780 815294726 /nfs/dbraw/zinc/29/47/26/815294726.db2.gz OPLZMSJJFCRICJ-GXFFZTMASA-N 2 0 274.328 -0.888 20 0 CBADRP Cc1cnc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)nc1C1C[NH2+]C1 ZINC001155581941 815299355 /nfs/dbraw/zinc/29/93/55/815299355.db2.gz WNDXASZOLIRFMZ-YGRLFVJLSA-N 2 0 288.355 -0.538 20 0 CBADRP c1ncc(N2CC[NH2+]CC2)nc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001155637687 815302123 /nfs/dbraw/zinc/30/21/23/815302123.db2.gz ZGRFVRPHKAVPPY-SUNKGSAMSA-N 2 0 290.371 -0.573 20 0 CBADRP c1nc2c(c(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)n1)CC[NH2+]C2 ZINC001155637206 815302491 /nfs/dbraw/zinc/30/24/91/815302491.db2.gz QQLLHKOVLFMWMH-USWWRNFRSA-N 2 0 261.329 -0.337 20 0 CBADRP [NH3+][C@H](C(=O)N1CCC[C@H](CCO)C1)C1CC[NH2+]CC1 ZINC001160612487 815645641 /nfs/dbraw/zinc/64/56/41/815645641.db2.gz ZRDOMRMCXSBLBM-YPMHNXCESA-N 2 0 269.389 -0.066 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001155789876 815311570 /nfs/dbraw/zinc/31/15/70/815311570.db2.gz GSOPWKOAPPPJOI-MNOVXSKESA-N 2 0 268.361 -0.935 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001155789875 815311700 /nfs/dbraw/zinc/31/17/00/815311700.db2.gz GSOPWKOAPPPJOI-GHMZBOCLSA-N 2 0 268.361 -0.935 20 0 CBADRP CCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155791885 815312460 /nfs/dbraw/zinc/31/24/60/815312460.db2.gz ZRCCBRDYAWSXHG-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001155791030 815313130 /nfs/dbraw/zinc/31/31/30/815313130.db2.gz QZDHFDGTAJLRQU-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP CN1CCC[C@H]([NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001155791630 815313236 /nfs/dbraw/zinc/31/32/36/815313236.db2.gz YFRYIODFEVTMEO-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP COCCOCC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155790954 815313351 /nfs/dbraw/zinc/31/33/51/815313351.db2.gz PQUPFHBUQOGUQI-CYBMUJFWSA-N 2 0 287.404 -0.161 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001155791568 815313792 /nfs/dbraw/zinc/31/37/92/815313792.db2.gz WYNGCFUSWCFEJJ-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001155810446 815314127 /nfs/dbraw/zinc/31/41/27/815314127.db2.gz AXNAQVYHYDBLGO-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001155810926 815314855 /nfs/dbraw/zinc/31/48/55/815314855.db2.gz CONPFXCBJASBOY-LBPRGKRZSA-N 2 0 297.403 -0.798 20 0 CBADRP C[NH+]1CCN(c2cccc(N(CC[NH3+])CCO)n2)CC1 ZINC001155952855 815325268 /nfs/dbraw/zinc/32/52/68/815325268.db2.gz NGQSEUCFWAXNHC-UHFFFAOYSA-N 2 0 279.388 -0.409 20 0 CBADRP CCN(CC(=O)NC)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156194109 815344831 /nfs/dbraw/zinc/34/48/31/815344831.db2.gz LKEMRUJYOZCTEI-GFCCVEGCSA-N 2 0 286.420 -0.099 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086085286 810241442 /nfs/dbraw/zinc/24/14/42/810241442.db2.gz ZPZSEYZDXXCHPW-XQQFMLRXSA-N 2 0 296.415 -0.171 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086122558 810243132 /nfs/dbraw/zinc/24/31/32/810243132.db2.gz PQTGOENBHYRSRP-TUAOUCFPSA-N 2 0 282.388 -0.560 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001086262436 810253552 /nfs/dbraw/zinc/25/35/52/810253552.db2.gz WZHYRAISWFGNNC-ZOWXZIJZSA-N 2 0 294.399 -0.558 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001086270416 810253784 /nfs/dbraw/zinc/25/37/84/810253784.db2.gz DKELJUMRICMOOM-RVMXOQNASA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001086327435 810260424 /nfs/dbraw/zinc/26/04/24/810260424.db2.gz DUZZJJKOQIZKMI-ZDEQEGDKSA-N 2 0 269.389 -0.054 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001086327895 810261744 /nfs/dbraw/zinc/26/17/44/810261744.db2.gz TTYQTFBAADPRSV-LPWJVIDDSA-N 2 0 296.415 -0.171 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001086324789 810261778 /nfs/dbraw/zinc/26/17/78/810261778.db2.gz NLDVMKVOWUBUIO-SRVKXCTJSA-N 2 0 255.362 -0.443 20 0 CBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001086456706 810272499 /nfs/dbraw/zinc/27/24/99/810272499.db2.gz SIAVEGXDZGIIHR-IHRRRGAJSA-N 2 0 299.415 -0.428 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001086699948 810283514 /nfs/dbraw/zinc/28/35/14/810283514.db2.gz OSPKXESBJUFHJC-YVECIDJPSA-N 2 0 296.415 -0.314 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCO)C2)C1 ZINC001086875550 810288183 /nfs/dbraw/zinc/28/81/83/810288183.db2.gz XETVESPIOHTYPK-YNEHKIRRSA-N 2 0 269.389 -0.195 20 0 CBADRP C[NH+]1CCN(c2ccc(-n3ccnc3CC[NH3+])nn2)CC1 ZINC001156477732 815360856 /nfs/dbraw/zinc/36/08/56/815360856.db2.gz IPEFIBRWGFLZGA-UHFFFAOYSA-N 2 0 287.371 -0.085 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001088425149 810329050 /nfs/dbraw/zinc/32/90/50/810329050.db2.gz OKUSMLMSCHASBC-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001088425152 810330787 /nfs/dbraw/zinc/33/07/87/810330787.db2.gz OKUSMLMSCHASBC-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1CCO ZINC001088859381 810362011 /nfs/dbraw/zinc/36/20/11/810362011.db2.gz APXHEDVMNOKKPU-XQQFMLRXSA-N 2 0 269.389 -0.101 20 0 CBADRP COC(=O)C1(Nc2cc(C3C[NH2+]C3)ncn2)CC[NH2+]CC1 ZINC001156537079 815364813 /nfs/dbraw/zinc/36/48/13/815364813.db2.gz FVYNHXZXEARKMG-UHFFFAOYSA-N 2 0 291.355 -0.130 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCCO ZINC001089038801 810374799 /nfs/dbraw/zinc/37/47/99/810374799.db2.gz LUHABHYNGAXZQL-AGIUHOORSA-N 2 0 269.389 -0.101 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090536533 810518014 /nfs/dbraw/zinc/51/80/14/810518014.db2.gz FVRPQQCQOFIKMR-ZIAGYGMSSA-N 2 0 299.415 -0.474 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CCO)C[C@@H]2O)C1 ZINC001090572666 810527830 /nfs/dbraw/zinc/52/78/30/810527830.db2.gz HVHOQFBZOBJXIK-OLZOCXBDSA-N 2 0 299.415 -0.738 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCO)C1 ZINC001090956901 810582510 /nfs/dbraw/zinc/58/25/10/810582510.db2.gz NLDVMKVOWUBUIO-MCIGGMRASA-N 2 0 255.362 -0.443 20 0 CBADRP NC(=O)C[NH2+]C1CC(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001091345578 810602697 /nfs/dbraw/zinc/60/26/97/810602697.db2.gz WZHYRAISWFGNNC-QOZQQMKHSA-N 2 0 294.399 -0.558 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(N)=O)C[C@@]2(C)C1 ZINC001091543440 810609790 /nfs/dbraw/zinc/60/97/90/810609790.db2.gz IZHNZUAWUIFQOI-JMSVASOKSA-N 2 0 294.399 -0.654 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1-c1ccc(N2CC[NH2+]CC2)cn1 ZINC001156830783 815383864 /nfs/dbraw/zinc/38/38/64/815383864.db2.gz YPUWHXLUJVFKLO-UHFFFAOYSA-N 2 0 299.382 -0.077 20 0 CBADRP [NH3+]CCc1ccn(-c2cncc(N3CC[NH2+]CC3)n2)n1 ZINC001156898100 815389128 /nfs/dbraw/zinc/38/91/28/815389128.db2.gz FXIZDIXXYWPOGA-UHFFFAOYSA-N 2 0 273.344 -0.427 20 0 CBADRP NS(=O)(=O)c1cccnc1NC(=[NH2+])NCCCC[NH3+] ZINC001157094187 815403912 /nfs/dbraw/zinc/40/39/12/815403912.db2.gz MPVGOIXGLOXIOT-UHFFFAOYSA-N 2 0 286.361 -0.596 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1cc2n(n1)CCCO2 ZINC001157081902 815404081 /nfs/dbraw/zinc/40/40/81/815404081.db2.gz FFUJICFQJFXAMD-JTQLQIEISA-N 2 0 267.333 -0.652 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])Nc1cncc(-n2cncn2)n1 ZINC001157099596 815404783 /nfs/dbraw/zinc/40/47/83/815404783.db2.gz QYQLIBMVPSWMOD-UHFFFAOYSA-N 2 0 275.320 -0.268 20 0 CBADRP CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971095 810980089 /nfs/dbraw/zinc/98/00/89/810980089.db2.gz AMCFVGODDGYRRH-NEPJUHHUSA-N 2 0 269.389 -0.101 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099988339 810986033 /nfs/dbraw/zinc/98/60/33/810986033.db2.gz HDUUTXDMSLKOIE-RYUDHWBXSA-N 2 0 257.378 -0.102 20 0 CBADRP CCOCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099988248 810986676 /nfs/dbraw/zinc/98/66/76/810986676.db2.gz FTHDRPVOIAXHII-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CCOC)C[C@@H]1O ZINC001100041898 811003890 /nfs/dbraw/zinc/00/38/90/811003890.db2.gz PTJJYXPVOFFIGW-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCO)C[C@H]1O ZINC001100131255 811024242 /nfs/dbraw/zinc/02/42/42/811024242.db2.gz AIFFOUGBJLFVPU-CHWSQXEVSA-N 2 0 287.404 -0.740 20 0 CBADRP O=C(CC[NH+]1CCCCC1)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100127784 811025197 /nfs/dbraw/zinc/02/51/97/811025197.db2.gz YUOWAWGBWGEECZ-UONOGXRCSA-N 2 0 299.415 -0.594 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCOCCO)C1 ZINC001100185547 811034504 /nfs/dbraw/zinc/03/45/04/811034504.db2.gz FEVLEVUIXJCMDB-RUXDESIVSA-N 2 0 299.415 -0.426 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCCO)C1 ZINC001100187960 811035990 /nfs/dbraw/zinc/03/59/90/811035990.db2.gz UFDPLIIPFKEPJK-WXRRBKDZSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NCC1CC([NH2+]CCO)C1)C1CC1 ZINC001100407712 811056390 /nfs/dbraw/zinc/05/63/90/811056390.db2.gz GTPCRKMESRYPLA-KGPNIALWSA-N 2 0 269.389 -0.197 20 0 CBADRP C[C@@H]([NH2+]C1CC(CNC(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001100405736 811056510 /nfs/dbraw/zinc/05/65/10/811056510.db2.gz KVORFJCNBZOZLK-VOMCLLRMSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H](O)C[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637579 811070639 /nfs/dbraw/zinc/07/06/39/811070639.db2.gz YPDXKPXLJDCXNF-UNXYVOJBSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@H]([NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001100637508 811071728 /nfs/dbraw/zinc/07/17/28/811071728.db2.gz VGKANSIWPGWDOC-WHXUTIOJSA-N 2 0 270.377 -0.704 20 0 CBADRP CCNC(=O)C[NH2+]C1CC(CNC(=O)CC[N@H+](C)CC)C1 ZINC001100829764 811081675 /nfs/dbraw/zinc/08/16/75/811081675.db2.gz KJZAHKJSPDCFGK-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001100901616 811085241 /nfs/dbraw/zinc/08/52/41/811085241.db2.gz FFZPKADGAQJQEQ-WXRRBKDZSA-N 2 0 296.415 -0.299 20 0 CBADRP COC[C@@H](O)C[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100986291 811088922 /nfs/dbraw/zinc/08/89/22/811088922.db2.gz PVLJKOZFRGGQKT-RUXDESIVSA-N 2 0 299.415 -0.426 20 0 CBADRP CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001101039228 811091305 /nfs/dbraw/zinc/09/13/05/811091305.db2.gz BSLCFOAPIINQFP-UHFFFAOYSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C1CC[NH+](C)CC1 ZINC001157322858 815421863 /nfs/dbraw/zinc/42/18/63/815421863.db2.gz AUTVTBNSERTSJJ-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCC[NH2+]1 ZINC001157323102 815422983 /nfs/dbraw/zinc/42/29/83/815422983.db2.gz MIXMXULLVYVCPL-QWRGUYRKSA-N 2 0 270.377 -0.512 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001157323200 815423266 /nfs/dbraw/zinc/42/32/66/815423266.db2.gz DGCZTXDQSYCOTR-STQMWFEESA-N 2 0 296.415 -0.312 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC ZINC001157323848 815423364 /nfs/dbraw/zinc/42/33/64/815423364.db2.gz PSUMCTKXFNUAMS-NSHDSACASA-N 2 0 272.393 -0.312 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])C(C)(C)C ZINC001157323409 815423387 /nfs/dbraw/zinc/42/33/87/815423387.db2.gz IZQFITFSFOYRQV-UWVGGRQHSA-N 2 0 272.393 -0.280 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](C)[NH+]1CCCC1 ZINC001157323556 815423398 /nfs/dbraw/zinc/42/33/98/815423398.db2.gz KEXZZPUTPXWSEV-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102318900 811153217 /nfs/dbraw/zinc/15/32/17/811153217.db2.gz PBWARVXIJOQZBI-CHWSQXEVSA-N 2 0 298.431 -0.242 20 0 CBADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1C ZINC001102473578 811155774 /nfs/dbraw/zinc/15/57/74/811155774.db2.gz GUEBRUKHICVHOP-CHWSQXEVSA-N 2 0 298.431 -0.242 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579311 811161831 /nfs/dbraw/zinc/16/18/31/811161831.db2.gz RRGSERGFPWMUPA-CHWSQXEVSA-N 2 0 269.389 -0.241 20 0 CBADRP C[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579173 811161933 /nfs/dbraw/zinc/16/19/33/811161933.db2.gz LJGFNGXBGLQPPU-JHJVBQTASA-N 2 0 296.415 -0.360 20 0 CBADRP [NH3+]CCCC[C@H](NC(=O)[C@H]1CC[C@@H]1[NH3+])C(=O)N1CCCC1 ZINC001157370832 815429591 /nfs/dbraw/zinc/42/95/91/815429591.db2.gz IKJWMDNVSDBZOQ-AVGNSLFASA-N 2 0 296.415 -0.040 20 0 CBADRP Cn1ccnc1CCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157422791 815431925 /nfs/dbraw/zinc/43/19/25/815431925.db2.gz OIMYIDDNBDLAKW-BXUZGUMPSA-N 2 0 277.372 -0.722 20 0 CBADRP C[C@H](NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC001157425047 815432586 /nfs/dbraw/zinc/43/25/86/815432586.db2.gz YVYMIWMUBMVILW-DLOVCJGASA-N 2 0 255.362 -0.003 20 0 CBADRP Cc1cc(N(C(N)=[NH2+])C(=O)[C@]2(C)CC[NH2+]C2)n[nH]1 ZINC001157440456 815434333 /nfs/dbraw/zinc/43/43/33/815434333.db2.gz XVDXQICAOHWDLN-LLVKDONJSA-N 2 0 250.306 -0.056 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(N)=O ZINC001105946025 811281835 /nfs/dbraw/zinc/28/18/35/811281835.db2.gz JGDDYSSZZYREJW-IJLUTSLNSA-N 2 0 282.388 -0.750 20 0 CBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)C2([NH3+])CC2)CC1 ZINC001157448690 815435678 /nfs/dbraw/zinc/43/56/78/815435678.db2.gz GFAZFHDJEDNNRO-UHFFFAOYSA-N 2 0 269.345 -0.249 20 0 CBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1 ZINC001106779404 811317231 /nfs/dbraw/zinc/31/72/31/811317231.db2.gz NGIPCQFXIPXSHH-CHWSQXEVSA-N 2 0 298.431 -0.242 20 0 CBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CCO ZINC001106884522 811317318 /nfs/dbraw/zinc/31/73/18/811317318.db2.gz JCABGUHXURDZID-CHWSQXEVSA-N 2 0 281.400 -0.241 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(N)=O ZINC001106874278 811318404 /nfs/dbraw/zinc/31/84/04/811318404.db2.gz AQVZPULSAMURAI-FRRDWIJNSA-N 2 0 296.415 -0.502 20 0 CBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)C(N)=O ZINC001106983721 811320700 /nfs/dbraw/zinc/32/07/00/811320700.db2.gz GLHYAKCBXDBWQZ-FRRDWIJNSA-N 2 0 296.415 -0.360 20 0 CBADRP COC(=O)N1CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001157507747 815439954 /nfs/dbraw/zinc/43/99/54/815439954.db2.gz MBIUTIKTKXEXNR-JTQLQIEISA-N 2 0 272.349 -0.647 20 0 CBADRP [NH3+][C@H]1CN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@H]1F ZINC001157535922 815441986 /nfs/dbraw/zinc/44/19/86/815441986.db2.gz FGLPLECOGXUJBU-NEPJUHHUSA-N 2 0 263.316 -0.010 20 0 CBADRP C[NH2+][C@@H]1CCCN(CC(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)C1 ZINC001157537919 815443462 /nfs/dbraw/zinc/44/34/62/815443462.db2.gz FCQNVMJPLHRUMH-MXWKQRLJSA-N 2 0 258.341 -0.822 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@@H]2CC[C@]3(C2)C[NH2+]CCO3)C1 ZINC001157634168 815449411 /nfs/dbraw/zinc/44/94/11/815449411.db2.gz WQOMJHQRGWPRFL-MFKMUULPSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@H]2CC[C@]3(C2)C[NH2+]CCO3)C[C@H]1F ZINC001157537045 815444078 /nfs/dbraw/zinc/44/40/78/815444078.db2.gz TXXUNPPBVNHDQO-NOHGZBONSA-N 2 0 271.336 -0.347 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)C1 ZINC001157629416 815449530 /nfs/dbraw/zinc/44/95/30/815449530.db2.gz LMDYLRGNIGJYLA-JTQLQIEISA-N 2 0 290.371 -0.911 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@@H]2CC[C@@]3(C2)C[NH2+]CCO3)C1 ZINC001157634169 815449324 /nfs/dbraw/zinc/44/93/24/815449324.db2.gz WQOMJHQRGWPRFL-ZWNOBZJWSA-N 2 0 253.346 -0.295 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@H]2Cc3cc(O)ccc3C[NH2+]2)C1 ZINC001157634209 815450122 /nfs/dbraw/zinc/45/01/22/815450122.db2.gz XWJJUVBTMQZZKC-GFCCVEGCSA-N 2 0 261.325 -0.034 20 0 CBADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC(C)([NH3+])C1 ZINC001157634203 815450154 /nfs/dbraw/zinc/45/01/54/815450154.db2.gz XRPCGMPPTNFKON-VIFPVBQESA-N 2 0 271.361 -0.134 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](C(=O)N2CC(C)([NH3+])C2)CCN1 ZINC001157644692 815450503 /nfs/dbraw/zinc/45/05/03/815450503.db2.gz VSZXOARXVOQLSF-IUCAKERBSA-N 2 0 255.318 -0.913 20 0 CBADRP CC1([NH3+])CN(C(=O)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC001157651947 815450511 /nfs/dbraw/zinc/45/05/11/815450511.db2.gz UBNGGBIXZLMBKG-STQMWFEESA-N 2 0 277.368 -0.133 20 0 CBADRP CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)N2CC(C)([NH3+])C2)C1 ZINC001157643602 815450551 /nfs/dbraw/zinc/45/05/51/815450551.db2.gz CYFFBSBWBOSUNZ-SNVBAGLBSA-N 2 0 254.378 -0.382 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC(C)([NH3+])C1 ZINC001157651347 815450737 /nfs/dbraw/zinc/45/07/37/815450737.db2.gz MIZKGMIWIQNUGD-JTQLQIEISA-N 2 0 256.350 -0.820 20 0 CBADRP CC1([NH3+])CN(C(=O)c2nc3c(s2)C[NH2+]CC3)C1 ZINC001157665098 815451636 /nfs/dbraw/zinc/45/16/36/815451636.db2.gz LLPMLHQAFHYJOU-UHFFFAOYSA-N 2 0 252.343 -0.038 20 0 CBADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673687 811499492 /nfs/dbraw/zinc/49/94/92/811499492.db2.gz ONNRMSFXUCEJON-RFGFWPKPSA-N 2 0 299.415 -0.333 20 0 CBADRP CN(Cc1ncccn1)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157681970 815452412 /nfs/dbraw/zinc/45/24/12/815452412.db2.gz PQJKHVUMMIZYFC-LBPRGKRZSA-N 2 0 292.387 -0.815 20 0 CBADRP CN(Cc1ncccn1)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157681969 815452565 /nfs/dbraw/zinc/45/25/65/815452565.db2.gz PQJKHVUMMIZYFC-GFCCVEGCSA-N 2 0 292.387 -0.815 20 0 CBADRP COCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109979176 811507350 /nfs/dbraw/zinc/50/73/50/811507350.db2.gz VZBAMEXNUVIBSJ-RDBSUJKOSA-N 2 0 299.415 -0.068 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC([NH+](C)C)C1 ZINC001157682101 815452941 /nfs/dbraw/zinc/45/29/41/815452941.db2.gz VGZBTCXGUKCHHJ-NSHDSACASA-N 2 0 251.334 -0.938 20 0 CBADRP COC1(C)CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001157689246 815454483 /nfs/dbraw/zinc/45/44/83/815454483.db2.gz QVQDEZORMASEBZ-LLVKDONJSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N(C)C[C@H]2C[NH2+]CCO2)C1 ZINC001157716675 815455359 /nfs/dbraw/zinc/45/53/59/815455359.db2.gz QNIAYXNNILVNPL-UTUOFQBUSA-N 2 0 255.362 -0.179 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)C1 ZINC001157629417 815449760 /nfs/dbraw/zinc/44/97/60/815449760.db2.gz LMDYLRGNIGJYLA-SNVBAGLBSA-N 2 0 290.371 -0.911 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCC[C@H](F)C(=O)C1)C1CC[NH2+]CC1 ZINC001157729641 815456660 /nfs/dbraw/zinc/45/66/60/815456660.db2.gz CTSCARQBWVLJTP-CMPLNLGQSA-N 2 0 271.336 -0.157 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]1C[N@@H+](C(C)(C)C)CCN1 ZINC001157720255 815456835 /nfs/dbraw/zinc/45/68/35/815456835.db2.gz DPDAIGOVZPPLDU-QWHCGFSZSA-N 2 0 298.431 -0.495 20 0 CBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])CC(F)F ZINC001157720465 815457096 /nfs/dbraw/zinc/45/70/96/815457096.db2.gz JSRXNFZRDCIJKH-SFYZADRCSA-N 2 0 251.277 -0.584 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861467 811559505 /nfs/dbraw/zinc/55/95/05/811559505.db2.gz OPTPJQSURZYDBZ-XUJVJEKNSA-N 2 0 296.415 -0.217 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001157720218 815457288 /nfs/dbraw/zinc/45/72/88/815457288.db2.gz CUHGDTPHYDDQOK-DCAQKATOSA-N 2 0 259.325 -0.619 20 0 CBADRP NC1(C(=O)N2CCC[C@@](F)(C[NH3+])CC2)CC[NH2+]CC1 ZINC001157744581 815461661 /nfs/dbraw/zinc/46/16/61/815461661.db2.gz JVFSXPLCFZMRTD-LBPRGKRZSA-N 2 0 272.368 -0.253 20 0 CBADRP [NH3+][C@@H](C(=O)N1CC(F)(F)CC[C@H]1CO)C1CC[NH2+]CC1 ZINC001157730029 815458578 /nfs/dbraw/zinc/45/85/78/815458578.db2.gz GXSDIOAOENRDAG-WDEREUQCSA-N 2 0 291.342 -0.068 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)CC1 ZINC001157730815 815459832 /nfs/dbraw/zinc/45/98/32/815459832.db2.gz PLCHXSABUUALTN-WCQYABFASA-N 2 0 283.351 -0.041 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]2C[NH2+]CC[C@H]2O)CC1 ZINC001157740948 815460279 /nfs/dbraw/zinc/46/02/79/815460279.db2.gz RCUZWSQFPRNIRO-WZRBSPASSA-N 2 0 273.352 -0.364 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001157739084 815460341 /nfs/dbraw/zinc/46/03/41/815460341.db2.gz FABKTSSMSIBXOA-VHDGCEQUSA-N 3 0 298.406 -0.135 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC001157741134 815460486 /nfs/dbraw/zinc/46/04/86/815460486.db2.gz TUOLBZUEHHUHAP-ZDUSSCGKSA-N 2 0 272.368 -0.429 20 0 CBADRP [NH3+]CCNC(=O)/C=C/C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157741453 815460496 /nfs/dbraw/zinc/46/04/96/815460496.db2.gz XFFRFFHBXXCUHS-YWVDXFKGSA-N 2 0 286.351 -0.703 20 0 CBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157804223 815468172 /nfs/dbraw/zinc/46/81/72/815468172.db2.gz PPDDTJNXFYRGGQ-MIMYLULJSA-N 2 0 288.417 -0.664 20 0 CBADRP O=C(N1CCC[C@](O)(CF)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157781456 815465937 /nfs/dbraw/zinc/46/59/37/815465937.db2.gz PRHMIVICVFQGQP-BPLDGKMQSA-N 2 0 299.390 -0.101 20 0 CBADRP CCn1nnc2c1[C@@H](C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1)CNC2 ZINC001157793983 815467038 /nfs/dbraw/zinc/46/70/38/815467038.db2.gz QBLWXRWPKGRIOM-VWYCJHECSA-N 2 0 292.387 -0.320 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]2C[NH2+]CCC2=O)CC1 ZINC001157743955 815461862 /nfs/dbraw/zinc/46/18/62/815461862.db2.gz JFDKNPCAILPLDZ-GWCFXTLKSA-N 2 0 271.336 -0.156 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157755885 815462978 /nfs/dbraw/zinc/46/29/78/815462978.db2.gz UFRPEODYPZLVDG-GXTWGEPZSA-N 2 0 286.395 -0.088 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157754509 815463165 /nfs/dbraw/zinc/46/31/65/815463165.db2.gz KLOWTUCRLJKHIR-JBLDHEPKSA-N 2 0 258.341 -0.787 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C[C@@H]1[NH3+] ZINC001157803815 815468502 /nfs/dbraw/zinc/46/85/02/815468502.db2.gz KXYKMECWIAVZRD-NOLZXVSMSA-N 2 0 261.391 -0.722 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C[C@@H]1[NH3+] ZINC001157799848 815468549 /nfs/dbraw/zinc/46/85/49/815468549.db2.gz SVQQOAXMHSQMBB-BLFANLJRSA-N 2 0 252.362 -0.866 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157804669 815468826 /nfs/dbraw/zinc/46/88/26/815468826.db2.gz UXTHLQAHWHMLNE-RHYQMDGZSA-N 2 0 282.388 -0.480 20 0 CBADRP [NH3+]C[C@@]1(F)CCN(c2cc3c(nn2)CC[NH2+]C3)C1 ZINC001157816792 815469171 /nfs/dbraw/zinc/46/91/71/815469171.db2.gz GWEVLWLCAQHCMN-LBPRGKRZSA-N 2 0 251.309 -0.001 20 0 CBADRP [NH3+]C[C@@]1(F)CCN(c2ccc(N3CC[NH2+]CC3)nn2)C1 ZINC001157812984 815469241 /nfs/dbraw/zinc/46/92/41/815469241.db2.gz NKQLNNQFUXOQHZ-ZDUSSCGKSA-N 2 0 280.351 -0.237 20 0 CBADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[C@@H](O)[C@H](F)C1 ZINC001157857004 815474429 /nfs/dbraw/zinc/47/44/29/815474429.db2.gz YUHSTSLVGBXQCO-IJLUTSLNSA-N 2 0 285.363 -0.208 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH3+])[C@@H]1C ZINC001157844247 815470402 /nfs/dbraw/zinc/47/04/02/815470402.db2.gz VKPWWXUZBUHDAB-GDPRMGEGSA-N 2 0 257.334 -0.537 20 0 CBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001157841567 815470575 /nfs/dbraw/zinc/47/05/75/815470575.db2.gz HHUHMNBXWOVGIE-UPJWGTAASA-N 2 0 296.415 -0.088 20 0 CBADRP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001157841804 815470580 /nfs/dbraw/zinc/47/05/80/815470580.db2.gz HXZBOSNZSMTHSX-ROEYZRMQSA-N 2 0 266.389 -0.206 20 0 CBADRP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157843256 815470783 /nfs/dbraw/zinc/47/07/83/815470783.db2.gz PUOHJXIWIHWWCT-RMRHIDDWSA-N 3 0 280.416 -0.229 20 0 CBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC001157843531 815470855 /nfs/dbraw/zinc/47/08/55/815470855.db2.gz SGBLJIWNQVJYRZ-IJLUTSLNSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC001157843533 815471004 /nfs/dbraw/zinc/47/10/04/815471004.db2.gz SGBLJIWNQVJYRZ-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157841872 815471141 /nfs/dbraw/zinc/47/11/41/815471141.db2.gz IJILCMMMDNDHJU-UTUOFQBUSA-N 3 0 266.389 -0.619 20 0 CBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001157844911 815471203 /nfs/dbraw/zinc/47/12/03/815471203.db2.gz YIVDLYAJVDFKOS-RAIGVLPGSA-N 3 0 268.405 -0.101 20 0 CBADRP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001157841568 815471208 /nfs/dbraw/zinc/47/12/08/815471208.db2.gz HHUHMNBXWOVGIE-XQQFMLRXSA-N 2 0 296.415 -0.088 20 0 CBADRP C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)C1CC1 ZINC001114404997 811747360 /nfs/dbraw/zinc/74/73/60/811747360.db2.gz LILBIHKQHAEMCK-DGAVXFQQSA-N 2 0 281.400 -0.245 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCCC(=O)[C@@H](F)C1 ZINC001157853572 815472481 /nfs/dbraw/zinc/47/24/81/815472481.db2.gz GXPLDFWBEKNKTF-IUCAKERBSA-N 2 0 277.365 -0.465 20 0 CBADRP [NH3+][C@H](C(=O)N1CCCC(=O)[C@@H](F)C1)C1CC[NH2+]CC1 ZINC001157854442 815473332 /nfs/dbraw/zinc/47/33/32/815473332.db2.gz DKRWFHLGSOQBKM-JQWIXIFHSA-N 2 0 271.336 -0.157 20 0 CBADRP C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157855303 815473458 /nfs/dbraw/zinc/47/34/58/815473458.db2.gz MDDHCFJHPWBFHT-RGCMKSIDSA-N 2 0 281.400 -0.195 20 0 CBADRP C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157854469 815473503 /nfs/dbraw/zinc/47/35/03/815473503.db2.gz FCRRPJPBWFXVAD-IJLUTSLNSA-N 2 0 267.373 -0.585 20 0 CBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[C@@H](O)[C@H](F)C1 ZINC001157857003 815474258 /nfs/dbraw/zinc/47/42/58/815474258.db2.gz YUHSTSLVGBXQCO-GRYCIOLGSA-N 2 0 285.363 -0.208 20 0 CBADRP C[C@@H]1CCN(C(=O)COC2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001157799690 815468396 /nfs/dbraw/zinc/46/83/96/815468396.db2.gz QFOIVICCURLVKC-PWSUYJOCSA-N 2 0 255.362 -0.049 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001157886995 815477155 /nfs/dbraw/zinc/47/71/55/815477155.db2.gz OKXNVBQLGVQBBO-OLZOCXBDSA-N 2 0 296.415 -0.156 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157900447 815477660 /nfs/dbraw/zinc/47/76/60/815477660.db2.gz JLOCGLSRBNDYMS-VHSXEESVSA-N 2 0 289.326 -0.729 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@H](CO)CC(F)(F)C1 ZINC001157900445 815477812 /nfs/dbraw/zinc/47/78/12/815477812.db2.gz JLOCGLSRBNDYMS-NXEZZACHSA-N 2 0 289.326 -0.729 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@H](CO)CC(F)(F)C1 ZINC001157900448 815478318 /nfs/dbraw/zinc/47/83/18/815478318.db2.gz JLOCGLSRBNDYMS-ZJUUUORDSA-N 2 0 289.326 -0.729 20 0 CBADRP C[C@@]1(O)CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C[C@@H]1F ZINC001157900894 815478872 /nfs/dbraw/zinc/47/88/72/815478872.db2.gz UTTLBHWNDFYFTG-JFGNBEQYSA-N 2 0 271.336 -0.883 20 0 CBADRP CN1CCN(C(=[NH2+])Nc2ncc3c(n2)CNC3)CC1 ZINC001157915596 815481189 /nfs/dbraw/zinc/48/11/89/815481189.db2.gz SVOUXNUXYIQORO-UHFFFAOYSA-N 2 0 261.333 -0.326 20 0 CBADRP COC(=O)c1ccnc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157914323 815482151 /nfs/dbraw/zinc/48/21/51/815482151.db2.gz BMGVOYJJTFXKKQ-UHFFFAOYSA-N 2 0 278.316 -0.143 20 0 CBADRP C[C@H]1CC[C@@H](CO)N1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157916056 815482163 /nfs/dbraw/zinc/48/21/63/815482163.db2.gz XVOGXMAFDNHKSI-GARJFASQSA-N 2 0 253.346 -0.833 20 0 CBADRP CC1(C)CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)[C@@](C)(CO)C1 ZINC001157925594 815482890 /nfs/dbraw/zinc/48/28/90/815482890.db2.gz MQBHYDPNLNUZHV-BXUZGUMPSA-N 2 0 281.400 -0.195 20 0 CBADRP COC[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157922179 815483294 /nfs/dbraw/zinc/48/32/94/815483294.db2.gz GUKMLNIFRVUGQS-KGLIPLIRSA-N 2 0 298.431 -0.236 20 0 CBADRP COC[C@H]1CCCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157922181 815483304 /nfs/dbraw/zinc/48/33/04/815483304.db2.gz GUKMLNIFRVUGQS-ZIAGYGMSSA-N 2 0 298.431 -0.236 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCNCC(F)(F)C1 ZINC001157937673 815488258 /nfs/dbraw/zinc/48/82/58/815488258.db2.gz ZPTNCIRKGXTIDZ-JTQLQIEISA-N 2 0 278.347 -0.230 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC[C@](F)(CO)CC1 ZINC001157935281 815487533 /nfs/dbraw/zinc/48/75/33/815487533.db2.gz SXVAHPYJRWEITE-CMPLNLGQSA-N 2 0 261.341 -0.234 20 0 CBADRP C[C@]1(CO)CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]1O ZINC001157946480 815491112 /nfs/dbraw/zinc/49/11/12/815491112.db2.gz NNLYVDNRVBIWAI-DMDPSCGWSA-N 2 0 273.377 -0.966 20 0 CBADRP Cc1nc(CCN(C)C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)no1 ZINC001157982983 815494267 /nfs/dbraw/zinc/49/42/67/815494267.db2.gz JTAFBJPKXWCWAE-JTQLQIEISA-N 2 0 279.344 -0.812 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001157947620 815490886 /nfs/dbraw/zinc/49/08/86/815490886.db2.gz VVOIDIFDKFRFEI-OBJOEFQTSA-N 2 0 287.404 -0.705 20 0 CBADRP Cc1nc(CCN(C)C(=O)[C@@H]([NH3+])CSCC[NH3+])no1 ZINC001157982286 815494924 /nfs/dbraw/zinc/49/49/24/815494924.db2.gz AXOMXXBKQZOGSX-VIFPVBQESA-N 2 0 287.389 -0.602 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCOC2(CC[NH2+]CC2)C1)C1CC[NH2+]CC1 ZINC001158076895 815501445 /nfs/dbraw/zinc/50/14/45/815501445.db2.gz PBLGHFKHEFAXEH-CYBMUJFWSA-N 3 0 296.415 -0.706 20 0 CBADRP C[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C[C@@H]1O ZINC001157997164 815495689 /nfs/dbraw/zinc/49/56/89/815495689.db2.gz JCYDHSYDUCXJNP-SRVKXCTJSA-N 2 0 257.378 -0.115 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)[C@H]1CC[C@H](O)CC1 ZINC001157997872 815496603 /nfs/dbraw/zinc/49/66/03/815496603.db2.gz RGWGJEJZMYDVLS-IHRRRGAJSA-N 2 0 298.431 -0.501 20 0 CBADRP C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C[C@@H]1O ZINC001157997956 815496802 /nfs/dbraw/zinc/49/68/02/815496802.db2.gz SEBFTXGEOMLOFY-SRRSOLGSSA-N 2 0 253.346 -0.975 20 0 CBADRP COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001158014404 815498638 /nfs/dbraw/zinc/49/86/38/815498638.db2.gz LEDUTCVKVJOBJI-GARJFASQSA-N 2 0 287.335 -0.575 20 0 CBADRP COC(=O)[C@@H]1C[C@H](F)CN1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001158016447 815499587 /nfs/dbraw/zinc/49/95/87/815499587.db2.gz XUDDHAOLXZGPBV-DCAQKATOSA-N 2 0 289.351 -0.055 20 0 CBADRP O=C([C@H]1CC[NH2+]C[C@@H]1F)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158077275 815502163 /nfs/dbraw/zinc/50/21/63/815502163.db2.gz SHSCACSSIHQSFQ-RYUDHWBXSA-N 2 0 285.363 -0.085 20 0 CBADRP C[NH+]1CCN(c2cccc(-n3nnnc3C[NH3+])n2)CC1 ZINC001158077524 815502501 /nfs/dbraw/zinc/50/25/01/815502501.db2.gz UJBMECQGHMDLRY-UHFFFAOYSA-N 2 0 274.332 -0.732 20 0 CBADRP [NH3+]Cc1nnnn1-c1ccc(OCC2CC[NH2+]CC2)nn1 ZINC001158080179 815502583 /nfs/dbraw/zinc/50/25/83/815502583.db2.gz HBHAMASVONALHE-UHFFFAOYSA-N 2 0 290.331 -0.711 20 0 CBADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@@]13C[NH2+]C[C@@H]1CCN3)CC2 ZINC001158081657 815503202 /nfs/dbraw/zinc/50/32/02/815503202.db2.gz FVDRLTLGLPLKPC-XHDPSFHLSA-N 2 0 278.400 -0.332 20 0 CBADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001158083071 815503340 /nfs/dbraw/zinc/50/33/40/815503340.db2.gz UEHNGGFMPALFTE-LBPRGKRZSA-N 3 0 278.400 -0.475 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)C1 ZINC001158091879 815504335 /nfs/dbraw/zinc/50/43/35/815504335.db2.gz JEINIJRSNJUDAR-SUNKGSAMSA-N 2 0 280.372 -0.935 20 0 CBADRP [NH3+][C@H](C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)C1CCCCC1 ZINC001158093531 815504381 /nfs/dbraw/zinc/50/43/81/815504381.db2.gz WUFAONGGIPRDEI-DZGCQCFKSA-N 2 0 294.399 -0.416 20 0 CBADRP [NH3+][C@@H](CC1CCC1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102118 815504390 /nfs/dbraw/zinc/50/43/90/815504390.db2.gz OKJBOXGPFXNORY-FZMZJTMJSA-N 2 0 280.372 -0.806 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(C[C@@H]2CCO)CC1 ZINC001158111669 815504980 /nfs/dbraw/zinc/50/49/80/815504980.db2.gz PZGXYXQOGGUODK-STQMWFEESA-N 2 0 293.411 -0.194 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(C[C@@H]2CCO)CC1 ZINC001158111668 815505162 /nfs/dbraw/zinc/50/51/62/815505162.db2.gz PZGXYXQOGGUODK-QWHCGFSZSA-N 2 0 293.411 -0.194 20 0 CBADRP Cc1nc(CC[NH3+])nn1-c1cc(C2C[NH2+]C2)ncn1 ZINC001158134722 815506265 /nfs/dbraw/zinc/50/62/65/815506265.db2.gz DVZULLSDVHOMFE-UHFFFAOYSA-N 2 0 259.317 -0.446 20 0 CBADRP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750302 812156642 /nfs/dbraw/zinc/15/66/42/812156642.db2.gz FHFVWIXGMBEQQK-CIQGVGRVSA-N 2 0 296.415 -0.491 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167896 815508283 /nfs/dbraw/zinc/50/82/83/815508283.db2.gz NUFRHZADXHOVGV-HZSPNIEDSA-N 3 0 298.431 -0.508 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001114779123 812159972 /nfs/dbraw/zinc/15/99/72/812159972.db2.gz XOBJEOXDAJOALC-KZVDOYCCSA-N 2 0 294.399 -0.737 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161519 815506894 /nfs/dbraw/zinc/50/68/94/815506894.db2.gz PMHNSBGSJDCVEQ-IUODEOHRSA-N 3 0 278.400 -0.460 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161520 815506899 /nfs/dbraw/zinc/50/68/99/815506899.db2.gz PMHNSBGSJDCVEQ-SWLSCSKDSA-N 3 0 278.400 -0.460 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161622 815507025 /nfs/dbraw/zinc/50/70/25/815507025.db2.gz WKNCKPKWWJVDSJ-DGCLKSJQSA-N 3 0 254.378 -0.203 20 0 CBADRP N[C@]1(C(=O)N2CCC[C@]23CCC[NH2+]C3)CC[NH2+]C1 ZINC001158159544 815507092 /nfs/dbraw/zinc/50/70/92/815507092.db2.gz DHEWGFMPHMIHDM-QWHCGFSZSA-N 2 0 252.362 -0.578 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COC)C[C@H]21)[NH+](C)C ZINC001114849042 812164197 /nfs/dbraw/zinc/16/41/97/812164197.db2.gz JUVFAJCFWBFBLH-DGTMBMJNSA-N 2 0 299.415 -0.620 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[NH+](C)C ZINC001114854687 812164663 /nfs/dbraw/zinc/16/46/63/812164663.db2.gz QUYKJGBIMNXFTC-WHOHXGKFSA-N 2 0 255.362 -0.635 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158162323 815507421 /nfs/dbraw/zinc/50/74/21/815507421.db2.gz XHFIAYIQRQTYBB-GMXVVIOVSA-N 2 0 252.362 -0.722 20 0 CBADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158159564 815507549 /nfs/dbraw/zinc/50/75/49/815507549.db2.gz DRELJSHACXFZPY-MDZLAQPJSA-N 2 0 253.346 -0.689 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158162509 815507611 /nfs/dbraw/zinc/50/76/11/815507611.db2.gz XYEGFSMVFTUGBV-WFASDCNBSA-N 2 0 294.399 -0.319 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)N2CCC[C@]23CCC[NH2+]C3)C1 ZINC001158160200 815507615 /nfs/dbraw/zinc/50/76/15/815507615.db2.gz JFXZYNDNYUHAPA-MDZLAQPJSA-N 2 0 252.362 -0.580 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](C)O)C[C@H]21 ZINC001115081502 812178240 /nfs/dbraw/zinc/17/82/40/812178240.db2.gz SGROPOUROIAIOH-CIQGVGRVSA-N 2 0 269.389 -0.245 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](C)O)C[C@H]21 ZINC001115161860 812183078 /nfs/dbraw/zinc/18/30/78/812183078.db2.gz OGQIUSRAWYDVJT-CIQGVGRVSA-N 2 0 269.389 -0.245 20 0 CBADRP O=C([C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158198510 815512565 /nfs/dbraw/zinc/51/25/65/815512565.db2.gz GHEKUSXSRILHQB-IEECTRCBSA-N 2 0 265.357 -0.284 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199259 815512596 /nfs/dbraw/zinc/51/25/96/815512596.db2.gz RJSZZJFJEVEEDU-NWDGAFQWSA-N 2 0 253.346 -0.282 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158198528 815512675 /nfs/dbraw/zinc/51/26/75/815512675.db2.gz HAQMYCQVYKVQIJ-SDDRHHMPSA-N 3 0 254.378 -0.334 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001158202411 815512802 /nfs/dbraw/zinc/51/28/02/815512802.db2.gz SWNVCFFKFOFMKQ-QWHCGFSZSA-N 2 0 296.415 -0.312 20 0 CBADRP [NH3+][C@@H](CO)Cc1cncn1-c1ncc2c(n1)CC[NH2+]C2 ZINC001158203493 815512809 /nfs/dbraw/zinc/51/28/09/815512809.db2.gz ATWOIJGLXNDZBH-SNVBAGLBSA-N 2 0 274.328 -0.830 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21)C1CCOCC1 ZINC001158208033 815513679 /nfs/dbraw/zinc/51/36/79/815513679.db2.gz JHLLLKKYUHBNQE-TUAOUCFPSA-N 2 0 253.346 -0.297 20 0 CBADRP [NH3+]C1(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)CCC2(CC1)OCCO2 ZINC001158208679 815513840 /nfs/dbraw/zinc/51/38/40/815513840.db2.gz XFCKKALMAZXRIX-NWDGAFQWSA-N 2 0 295.383 -0.036 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158208305 815513918 /nfs/dbraw/zinc/51/39/18/815513918.db2.gz PRDWJCHVXCHRID-SDDRHHMPSA-N 2 0 282.388 -0.561 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21)C1CCC(O)CC1 ZINC001158208596 815513957 /nfs/dbraw/zinc/51/39/57/815513957.db2.gz UKTXNZGTAIRAIB-WJFHSMSDSA-N 2 0 267.373 -0.172 20 0 CBADRP O=C(C1CC[NH2+]CC1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158166782 815508432 /nfs/dbraw/zinc/50/84/32/815508432.db2.gz DFHNHAFNJTUTGI-VXGBXAGGSA-N 2 0 253.346 -0.567 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC001158166566 815508477 /nfs/dbraw/zinc/50/84/77/815508477.db2.gz AEEPSAWSQMVHGR-FVCCEPFGSA-N 2 0 267.373 -0.179 20 0 CBADRP O=C(N1CCC2(CCC[NH2+]2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001158170209 815509208 /nfs/dbraw/zinc/50/92/08/815509208.db2.gz XCNOHHCYPAVCGD-WFASDCNBSA-N 2 0 279.384 -0.033 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001158186309 815510770 /nfs/dbraw/zinc/51/07/70/815510770.db2.gz FFAGEFVLSHJAFF-MQYJIDSJSA-N 2 0 278.400 -0.190 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158196987 815511437 /nfs/dbraw/zinc/51/14/37/815511437.db2.gz PRIDYSKXLYGXAJ-YPMHNXCESA-N 2 0 296.415 -0.441 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158208171 815514346 /nfs/dbraw/zinc/51/43/46/815514346.db2.gz OICWINJHKDRFOE-UKFADQEDSA-N 2 0 259.375 -0.955 20 0 CBADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158214759 815514731 /nfs/dbraw/zinc/51/47/31/815514731.db2.gz CIJCCMKANJHCKT-KXNHARMFSA-N 2 0 267.329 -0.900 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](Nc2ncnc3c2CC[NH2+]CC3)CN1 ZINC001158252008 815516184 /nfs/dbraw/zinc/51/61/84/815516184.db2.gz ZPLAJNBTAQTFSC-SKDRFNHKSA-N 2 0 291.355 -0.520 20 0 CBADRP O=C([C@@H]1CC[NH2+]1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158262151 815517685 /nfs/dbraw/zinc/51/76/85/815517685.db2.gz QWUNDDOLCTYCSF-JTQLQIEISA-N 2 0 276.344 -0.939 20 0 CBADRP C[C@@H](O)C[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158287794 815518720 /nfs/dbraw/zinc/51/87/20/815518720.db2.gz KDGGUHBPOGYASJ-GFCCVEGCSA-N 2 0 297.403 -0.465 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001158319907 815519338 /nfs/dbraw/zinc/51/93/38/815519338.db2.gz PKJGNWUUOQGKFT-AEJSXWLSSA-N 2 0 287.310 -0.712 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305407 815519434 /nfs/dbraw/zinc/51/94/34/815519434.db2.gz HOJZBZFUAOUFAU-RWMBFGLXSA-N 3 0 268.405 -0.134 20 0 CBADRP O=C([C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306628 815519811 /nfs/dbraw/zinc/51/98/11/815519811.db2.gz VFYAPSHBYIDFSU-LJISPDSOSA-N 2 0 292.427 -0.119 20 0 CBADRP [NH3+][C@H](C(=O)N1C[C@@H]2OCC(F)(F)[C@@H]2C1)C1CC[NH2+]CC1 ZINC001158319604 815519851 /nfs/dbraw/zinc/51/98/51/815519851.db2.gz JQFAFAKUCSNQRH-VWYCJHECSA-N 2 0 289.326 -0.194 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001116966144 812350001 /nfs/dbraw/zinc/35/00/01/812350001.db2.gz XYXFNIZXTKUSOC-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP N[C@@]1(C(=O)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)CC[NH2+]C1 ZINC001158337094 815520816 /nfs/dbraw/zinc/52/08/16/815520816.db2.gz QRZUZQGGGNXPGC-LZWOXQAQSA-N 2 0 286.379 -0.225 20 0 CBADRP Cc1nc2c([nH]1)CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001158339250 815522168 /nfs/dbraw/zinc/52/21/68/815522168.db2.gz MSIWXSKMSJFPDD-LLVKDONJSA-N 2 0 289.383 -0.546 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001158381078 815522649 /nfs/dbraw/zinc/52/26/49/815522649.db2.gz XHSFYWVRMTZYAA-HBNTYKKESA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CCCO)CC[N@@H+]1C ZINC001158381211 815522668 /nfs/dbraw/zinc/52/26/68/815522668.db2.gz ZWTJBOAXJIULQK-VXGBXAGGSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001158403548 815527283 /nfs/dbraw/zinc/52/72/83/815527283.db2.gz JPUQEDMCUVRROP-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC001117972063 812460223 /nfs/dbraw/zinc/46/02/23/812460223.db2.gz MTNJOAXKBYYSJR-IJLUTSLNSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC[NH2+]1 ZINC001117972424 812460274 /nfs/dbraw/zinc/46/02/74/812460274.db2.gz TXJNSDFGSUZXPJ-RWMBFGLXSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001118035056 812463412 /nfs/dbraw/zinc/46/34/12/812463412.db2.gz LGSMBDRYNCYCEB-GRYCIOLGSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC001118035656 812463601 /nfs/dbraw/zinc/46/36/01/812463601.db2.gz TWVHVZZZLREPHI-NEPJUHHUSA-N 2 0 296.415 -0.027 20 0 CBADRP CN(CC[NH3+])C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001118061223 812466605 /nfs/dbraw/zinc/46/66/05/812466605.db2.gz QPZJCURMBGKNIY-VIFPVBQESA-N 2 0 252.322 -0.767 20 0 CBADRP [NH3+][C@H](C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21)C1CC[NH2+]CC1 ZINC001158422418 815527772 /nfs/dbraw/zinc/52/77/72/815527772.db2.gz KUWJBTZHBVFVHK-WOPDTQHZSA-N 3 0 252.362 -0.724 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158424502 815528030 /nfs/dbraw/zinc/52/80/30/815528030.db2.gz SBLDSMMHIFVQRB-SRVKXCTJSA-N 2 0 282.388 -0.561 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCC(C)(C)O)CC1 ZINC001118091068 812470240 /nfs/dbraw/zinc/47/02/40/812470240.db2.gz RNSTVISXLSZVHR-GFCCVEGCSA-N 2 0 259.394 -0.655 20 0 CBADRP C[NH+]1CCN(c2cccc(-n3nncc3C[NH3+])n2)CC1 ZINC001158422594 815528143 /nfs/dbraw/zinc/52/81/43/815528143.db2.gz DEJFJJYITZWNGQ-UHFFFAOYSA-N 2 0 273.344 -0.127 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158421050 815528275 /nfs/dbraw/zinc/52/82/75/815528275.db2.gz QYQHAXSUYUXVFM-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158424504 815528497 /nfs/dbraw/zinc/52/84/97/815528497.db2.gz SBLDSMMHIFVQRB-WOPDTQHZSA-N 2 0 282.388 -0.561 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1CC(=O)N1CC[NH2+]CC1 ZINC001118197802 812490906 /nfs/dbraw/zinc/49/09/06/812490906.db2.gz CRAXHKDMMURXCE-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP C[C@@]1(C2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)NC(=O)NC1=O ZINC001118198427 812491381 /nfs/dbraw/zinc/49/13/81/812491381.db2.gz MWJDJEUYSIVLOH-YGRLFVJLSA-N 2 0 280.372 -0.094 20 0 CBADRP C[C@]1(C2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)NC(=O)NC1=O ZINC001118198425 812491509 /nfs/dbraw/zinc/49/15/09/812491509.db2.gz MWJDJEUYSIVLOH-IINYFYTJSA-N 2 0 280.372 -0.094 20 0 CBADRP c1ncc(N2CC[N@H+]3CC[C@H]3C2)nc1N1CC[NH2+]CC1 ZINC001158434460 815529499 /nfs/dbraw/zinc/52/94/99/815529499.db2.gz RUSHXKBLEJIFRJ-LBPRGKRZSA-N 2 0 274.372 -0.220 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158428655 815529666 /nfs/dbraw/zinc/52/96/66/815529666.db2.gz MSBIWESMKPAEGN-JHJVBQTASA-N 2 0 287.404 -0.570 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158426425 815529675 /nfs/dbraw/zinc/52/96/75/815529675.db2.gz ZVVMVCAOEVKSHQ-WISYIIOYSA-N 2 0 281.356 -0.652 20 0 CBADRP CC(C)C[NH2+]CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001118203171 812495750 /nfs/dbraw/zinc/49/57/50/812495750.db2.gz DPGOJAGATFJPKK-CYBMUJFWSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001118204881 812495836 /nfs/dbraw/zinc/49/58/36/812495836.db2.gz GNIPGMYLXHGDTB-UWVGGRQHSA-N 2 0 266.349 -0.378 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC001118206242 812496408 /nfs/dbraw/zinc/49/64/08/812496408.db2.gz YSUGNNDKIIPFIC-GHMZBOCLSA-N 2 0 268.361 -0.948 20 0 CBADRP C[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[C@H]1[NH3+] ZINC001118205281 812496714 /nfs/dbraw/zinc/49/67/14/812496714.db2.gz JAUNTDOVMDCLLD-GMTAPVOTSA-N 2 0 268.361 -0.950 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)c2cn(CCCC[NH3+])nn2)CC[NH2+]1 ZINC001118211434 812497831 /nfs/dbraw/zinc/49/78/31/812497831.db2.gz IIHBQDICNQGPOX-MNOVXSKESA-N 2 0 280.376 -0.113 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC001118225730 812500296 /nfs/dbraw/zinc/50/02/96/812500296.db2.gz AAKVNRDMIATQCM-QWRGUYRKSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC001118225729 812500853 /nfs/dbraw/zinc/50/08/53/812500853.db2.gz AAKVNRDMIATQCM-MNOVXSKESA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@H](CCO)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001118242876 812504926 /nfs/dbraw/zinc/50/49/26/812504926.db2.gz MHRPMCFNFIJGCN-OLZOCXBDSA-N 2 0 259.394 -0.797 20 0 CBADRP C[C@H](CCO)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001118242875 812505194 /nfs/dbraw/zinc/50/51/94/812505194.db2.gz MHRPMCFNFIJGCN-CHWSQXEVSA-N 2 0 259.394 -0.797 20 0 CBADRP C[C@H](CCCO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001118242153 812505228 /nfs/dbraw/zinc/50/52/28/812505228.db2.gz XFYAUDSTJJHUJF-OLZOCXBDSA-N 2 0 259.394 -0.655 20 0 CBADRP C[NH2+]C[C@](C)(O)CN1CC[NH+](C(C)(C)CO)CC1 ZINC001118251980 812507500 /nfs/dbraw/zinc/50/75/00/812507500.db2.gz YIHSABKDPQQFJS-ZDUSSCGKSA-N 2 0 259.394 -0.655 20 0 CBADRP CC[N@@H+]1C[C@@H](C)N(CC(=O)N2CC[NH2+]CC2)C[C@@H]1C ZINC001118264124 812511414 /nfs/dbraw/zinc/51/14/14/812511414.db2.gz TTYRZWPETUNOTR-QWHCGFSZSA-N 2 0 268.405 -0.167 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3C[NH2+]CCO3)C[C@H]21 ZINC001118264791 812511862 /nfs/dbraw/zinc/51/18/62/812511862.db2.gz NLBMHFYBILUWFG-QCNOEVLYSA-N 2 0 253.346 -0.439 20 0 CBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C[C@@H]2CF)CC1 ZINC001158569091 815538285 /nfs/dbraw/zinc/53/82/85/815538285.db2.gz VSUOJLNQOJNJCR-QJPTWQEYSA-N 3 0 296.390 -0.669 20 0 CBADRP O=C([C@@H]1CC[NH2+]C[C@H]1F)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158548461 815538297 /nfs/dbraw/zinc/53/82/97/815538297.db2.gz UHUZKXWYRXPAGT-KMCWBVRRSA-N 2 0 297.374 -0.087 20 0 CBADRP C[NH+]1CCC(Oc2cc[nH+]c(N[C@H](CO)C(N)=O)c2)CC1 ZINC001158446223 815534288 /nfs/dbraw/zinc/53/42/88/815534288.db2.gz ZRVGGKIWDZVPPF-GFCCVEGCSA-N 2 0 294.355 -0.187 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001158497710 815535106 /nfs/dbraw/zinc/53/51/06/815535106.db2.gz DWKGCMSWTAPXJF-CKIKVBCHSA-N 2 0 295.383 -0.134 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001118481112 812553686 /nfs/dbraw/zinc/55/36/86/812553686.db2.gz WAIBUJUGLAAQEQ-JTQLQIEISA-N 2 0 296.375 -0.893 20 0 CBADRP CN(CC[NH3+])C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001118505126 812561344 /nfs/dbraw/zinc/56/13/44/812561344.db2.gz AGTYZZSWKRVDAZ-JTQLQIEISA-N 2 0 266.349 -0.377 20 0 CBADRP O=C(NCCC[NH2+]CCF)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158507054 815536726 /nfs/dbraw/zinc/53/67/26/815536726.db2.gz OWJURANOKPJSIG-VXGBXAGGSA-N 2 0 273.352 -0.085 20 0 CBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158532329 815536789 /nfs/dbraw/zinc/53/67/89/815536789.db2.gz ATIKOQXYUGQVNB-CZYNCPRBSA-N 2 0 277.368 -0.569 20 0 CBADRP [NH3+]C1(C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)CC1 ZINC001158535100 815537024 /nfs/dbraw/zinc/53/70/24/815537024.db2.gz VMCYVWTZJQTHQD-GIPNMCIBSA-N 2 0 251.330 -0.543 20 0 CBADRP O=C(C1CC2(C[NH2+]C2)C1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533701 815537094 /nfs/dbraw/zinc/53/70/94/815537094.db2.gz OOIQRGWXALAWIB-WOSRLPQWSA-N 2 0 291.395 -0.035 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001118545045 812572299 /nfs/dbraw/zinc/57/22/99/812572299.db2.gz DEFSJCNJUPAJOV-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP O=C([C@@H]1CC[NH2+]1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533012 815537677 /nfs/dbraw/zinc/53/76/77/815537677.db2.gz GUONZVAGJMRFFP-SRRSOLGSSA-N 2 0 251.330 -0.672 20 0 CBADRP CCOC(=O)[C@H]1C[NH2+]CCN1C[C@@H]1CCC[NH2+]C1 ZINC001118557512 812576709 /nfs/dbraw/zinc/57/67/09/812576709.db2.gz GGOVERCPTROLSP-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP [NH3+]CCn1cc(C(=O)NCCC[C@@H]2CCC[NH2+]2)nn1 ZINC001118557142 812576858 /nfs/dbraw/zinc/57/68/58/812576858.db2.gz CANPNRKLPYIRRI-JTQLQIEISA-N 2 0 266.349 -0.501 20 0 CBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C[C@@H]2CF)CC1 ZINC001158569092 815537911 /nfs/dbraw/zinc/53/79/11/815537911.db2.gz VSUOJLNQOJNJCR-SDDRHHMPSA-N 3 0 296.390 -0.669 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)CC[NH2+]C1 ZINC001158546764 815537925 /nfs/dbraw/zinc/53/79/25/815537925.db2.gz LSSPNFQDCWHYIF-RJZRQDKASA-N 2 0 279.384 -0.035 20 0 CBADRP C[NH2+]CCC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158545018 815537956 /nfs/dbraw/zinc/53/79/56/815537956.db2.gz FYPWQUSQAUYZAL-NQBHXWOUSA-N 2 0 253.346 -0.425 20 0 CBADRP O=C(C[N@@H+]1CC[C@]2(C1)CCCOC2)N1CC[NH2+]CC1 ZINC001118569411 812579009 /nfs/dbraw/zinc/57/90/09/812579009.db2.gz VOLLLMOQECSLPR-AWEZNQCLSA-N 2 0 267.373 -0.079 20 0 CBADRP O=C(C[N@@H+]1CC[C@@]2(C1)CCCOC2)N1CC[NH2+]CC1 ZINC001118569412 812579358 /nfs/dbraw/zinc/57/93/58/812579358.db2.gz VOLLLMOQECSLPR-CQSZACIVSA-N 2 0 267.373 -0.079 20 0 CBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@H]2CF)CC1 ZINC001158568168 815538170 /nfs/dbraw/zinc/53/81/70/815538170.db2.gz MJSVUNKZAWJQTP-GWOFURMSSA-N 2 0 271.336 -0.755 20 0 CBADRP CN1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CC(=O)N2)CC1 ZINC001118633891 812590523 /nfs/dbraw/zinc/59/05/23/812590523.db2.gz HNXOWWNGYVQGEM-SNVBAGLBSA-N 2 0 289.339 -0.340 20 0 CBADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001158626055 815540327 /nfs/dbraw/zinc/54/03/27/815540327.db2.gz CPXWRAZJQUSMLA-FPYNETTCSA-N 2 0 266.389 -0.513 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN(CCOC)CC1 ZINC001158603657 815540991 /nfs/dbraw/zinc/54/09/91/815540991.db2.gz HZIVAJNBGPPISI-ZDUSSCGKSA-N 2 0 286.420 -0.506 20 0 CBADRP [NH3+]CCCCn1cc(CCN2CC[NH2+]CC2)nn1 ZINC001118918790 812662056 /nfs/dbraw/zinc/66/20/56/812662056.db2.gz NEXMVWHHAYJIFT-UHFFFAOYSA-N 2 0 252.366 -0.535 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)NC1(C[NH3+])CCOCC1 ZINC001118921648 812663589 /nfs/dbraw/zinc/66/35/89/812663589.db2.gz ZJUOGOORWSGHEO-SNVBAGLBSA-N 2 0 258.366 -0.351 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)NCC2([NH3+])CCOCC2)C1 ZINC001118921441 812663795 /nfs/dbraw/zinc/66/37/95/812663795.db2.gz ULFCJLONDBXNBT-JTQLQIEISA-N 2 0 256.350 -0.502 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001118932670 812669000 /nfs/dbraw/zinc/66/90/00/812669000.db2.gz RVHBECWIBAHLBN-VXGBXAGGSA-N 2 0 280.372 -0.839 20 0 CBADRP O=C(CN1CCC[C@H]2[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC001118995568 812686850 /nfs/dbraw/zinc/68/68/50/812686850.db2.gz HFAKMSCYVKTXFM-VXGBXAGGSA-N 2 0 252.362 -0.756 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)C1 ZINC001119236109 812727674 /nfs/dbraw/zinc/72/76/74/812727674.db2.gz WLWJLCDZGHTRPB-GVXVVHGQSA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001119242252 812730887 /nfs/dbraw/zinc/73/08/87/812730887.db2.gz XQTKKTHWYXXSOD-VHSXEESVSA-N 2 0 266.349 -0.378 20 0 CBADRP [NH3+]C1(CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)CCOCC1 ZINC001119243848 812731337 /nfs/dbraw/zinc/73/13/37/812731337.db2.gz ZXPAQZYNRZSHNV-PWSUYJOCSA-N 2 0 253.346 -0.390 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC001119294877 812743877 /nfs/dbraw/zinc/74/38/77/812743877.db2.gz MFPUVDPFQYYTCV-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001119294876 812744743 /nfs/dbraw/zinc/74/47/43/812744743.db2.gz MFPUVDPFQYYTCV-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP [NH3+][C@H]1CC[C@@H](C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC001119296352 812745313 /nfs/dbraw/zinc/74/53/13/812745313.db2.gz WYDMZAAJTMKVDY-GRYCIOLGSA-N 2 0 255.362 -0.001 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC001119297929 812747238 /nfs/dbraw/zinc/74/72/38/812747238.db2.gz UPSJQJGPQGCKOJ-RKDXNWHRSA-N 2 0 255.297 -0.610 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)[C@H]1C[NH2+]CCO1 ZINC001119324508 812755049 /nfs/dbraw/zinc/75/50/49/812755049.db2.gz GKTGXPFVRXSDPS-RKDXNWHRSA-N 2 0 263.288 -0.664 20 0 CBADRP CCN(C(=O)C(=O)NC1CC[NH+](C)CC1)[C@@H]1CC[NH2+]C1 ZINC001119343829 812761025 /nfs/dbraw/zinc/76/10/25/812761025.db2.gz PUFFBBLVUVTKRC-GFCCVEGCSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC001119356292 812764954 /nfs/dbraw/zinc/76/49/54/812764954.db2.gz FJBICIWEPILWLA-JTQLQIEISA-N 2 0 272.393 -0.314 20 0 CBADRP CC(C)([NH3+])CCNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001119370932 812769974 /nfs/dbraw/zinc/76/99/74/812769974.db2.gz MFVVCCXNHLBMJB-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001119369099 812770094 /nfs/dbraw/zinc/77/00/94/812770094.db2.gz SALORSRQQXHEGY-XQQFMLRXSA-N 2 0 294.399 -0.463 20 0 CBADRP CCN(C(=O)C[NH2+]C[C@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC001119381761 812772381 /nfs/dbraw/zinc/77/23/81/812772381.db2.gz YKEKJLZBELPMKE-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119427644 812782979 /nfs/dbraw/zinc/78/29/79/812782979.db2.gz SIXDERXRTGXFGT-SRVKXCTJSA-N 2 0 282.388 -0.608 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCCO1 ZINC001119479772 812791220 /nfs/dbraw/zinc/79/12/20/812791220.db2.gz HYMWECCXUOHHEQ-OUAUKWLOSA-N 2 0 256.350 -0.517 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC001119488799 812792269 /nfs/dbraw/zinc/79/22/69/812792269.db2.gz WUIBVNYOPINAMK-GMTAPVOTSA-N 2 0 256.350 -0.375 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC001119544444 812804274 /nfs/dbraw/zinc/80/42/74/812804274.db2.gz BGVQXGYNQDBNFH-NWDGAFQWSA-N 2 0 296.415 -0.408 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001159132868 815560691 /nfs/dbraw/zinc/56/06/91/815560691.db2.gz FFCHRHZUWGAXTN-NWDGAFQWSA-N 2 0 279.388 -0.002 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001159154814 815561231 /nfs/dbraw/zinc/56/12/31/815561231.db2.gz BWHIODPIMJZZCA-MNOVXSKESA-N 2 0 290.383 -0.364 20 0 CBADRP NC(=O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001120140339 812935821 /nfs/dbraw/zinc/93/58/21/812935821.db2.gz CUHGEUOFXHOISX-UHFFFAOYSA-N 2 0 296.415 -0.024 20 0 CBADRP CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001120269618 812944916 /nfs/dbraw/zinc/94/49/16/812944916.db2.gz VZRPYRQNKUZRPM-GARJFASQSA-N 2 0 261.391 -0.405 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001120437354 812965387 /nfs/dbraw/zinc/96/53/87/812965387.db2.gz CLEPEDHFJOINCH-JHJVBQTASA-N 2 0 294.399 -0.593 20 0 CBADRP C[NH+]1CCC(OCC(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC001120453942 812969224 /nfs/dbraw/zinc/96/92/24/812969224.db2.gz SNSOCXODBYSDFW-NSHDSACASA-N 2 0 255.362 -0.096 20 0 CBADRP CC[NH+]1CCN(CC[NH2+]C[C@@H](O)C2(O)CCCC2)CC1 ZINC001120482325 812972251 /nfs/dbraw/zinc/97/22/51/812972251.db2.gz XVRRAGMUMKIVKT-CQSZACIVSA-N 2 0 285.432 -0.121 20 0 CBADRP CC[NH+]1CCN(CC[NH2+]C[C@H](O)COC(C)C)CC1 ZINC001120482004 812973090 /nfs/dbraw/zinc/97/30/90/812973090.db2.gz UQPGGKNDZAAMHK-AWEZNQCLSA-N 2 0 273.421 -0.001 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC001120500549 812976687 /nfs/dbraw/zinc/97/66/87/812976687.db2.gz OXGCSGNKBFEZMX-STQMWFEESA-N 2 0 259.394 -0.391 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001120516879 812979104 /nfs/dbraw/zinc/97/91/04/812979104.db2.gz MDGAPZDALGRSPM-VXGBXAGGSA-N 2 0 296.415 -0.441 20 0 CBADRP Cn1cnc(CCC[NH2+]C[C@@H](O)C[NH+]2CCCC2)n1 ZINC001120519168 812980609 /nfs/dbraw/zinc/98/06/09/812980609.db2.gz CWWCTCDNZJNXKY-GFCCVEGCSA-N 2 0 267.377 -0.206 20 0 CBADRP C[C@@H]1CN(C(=O)NCCOCC[NH+](C)C)C[C@H]1[NH3+] ZINC001120532413 812984286 /nfs/dbraw/zinc/98/42/86/812984286.db2.gz KDKRRFQMRJQSPI-GHMZBOCLSA-N 2 0 258.366 -0.447 20 0 CBADRP [NH3+]C1CCN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001120548112 812988802 /nfs/dbraw/zinc/98/88/02/812988802.db2.gz SLFZTMNENHSRIN-UHFFFAOYSA-N 2 0 266.345 -0.165 20 0 CBADRP C[C@@H](NC(=O)NCCN1CCC([NH3+])CC1)[C@H](C)[NH3+] ZINC001120547449 812988882 /nfs/dbraw/zinc/98/88/82/812988882.db2.gz ZTQZSNVNZKMXDT-VHSXEESVSA-N 2 0 257.382 -0.556 20 0 CBADRP O=C(NCCC1CC[NH2+]CC1)N1CCNCC[NH2+]CC1 ZINC001120549176 812988954 /nfs/dbraw/zinc/98/89/54/812988954.db2.gz JTZQJLIBPLBXHG-UHFFFAOYSA-N 2 0 283.420 -0.420 20 0 CBADRP C[NH+](C)CCNC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001120564013 812991461 /nfs/dbraw/zinc/99/14/61/812991461.db2.gz BEMWHQIJDYOTIX-UHFFFAOYSA-N 2 0 285.436 -0.077 20 0 CBADRP CN1CCCC[C@@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001120566508 812992593 /nfs/dbraw/zinc/99/25/93/812992593.db2.gz CFZKZMZFFFYNTD-CABCVRRESA-N 2 0 284.448 -0.331 20 0 CBADRP CN1CCCC[C@@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001120566511 812992968 /nfs/dbraw/zinc/99/29/68/812992968.db2.gz CFZKZMZFFFYNTD-HUUCEWRRSA-N 2 0 284.448 -0.331 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)NCCCCCN2CC[NH2+]CC2)C1 ZINC001120565036 812993236 /nfs/dbraw/zinc/99/32/36/812993236.db2.gz RBGLTVXTCOOHCL-ZDUSSCGKSA-N 2 0 283.420 -0.196 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001120567029 812993331 /nfs/dbraw/zinc/99/33/31/812993331.db2.gz GEJWJKQDMPTFBJ-MNOVXSKESA-N 2 0 258.366 -0.270 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)NCC2([NH3+])CC2)CC1 ZINC001120574009 812993874 /nfs/dbraw/zinc/99/38/74/812993874.db2.gz PMQDOZPAHFHTEP-UHFFFAOYSA-N 2 0 255.366 -0.800 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC001120573659 812993938 /nfs/dbraw/zinc/99/39/38/812993938.db2.gz HBBORCDIQGCFPR-JKSUJKDBSA-N 2 0 298.475 -0.085 20 0 CBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1CCOC2(C[NH2+]C2)C1 ZINC001120578275 812995608 /nfs/dbraw/zinc/99/56/08/812995608.db2.gz AZUKIURYKBANJA-OUAUKWLOSA-N 2 0 266.345 -0.737 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCO1 ZINC001120579332 812996123 /nfs/dbraw/zinc/99/61/23/812996123.db2.gz QCCQZDLHVFHAFL-HGCLJGPKSA-N 2 0 268.361 -0.363 20 0 CBADRP [NH3+]CCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001120625498 813002171 /nfs/dbraw/zinc/00/21/71/813002171.db2.gz JMOSPLLVZPSPAK-NEPJUHHUSA-N 2 0 270.377 -0.424 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)N1CC[NH2+]C[C@H]1COC ZINC001120631001 813003417 /nfs/dbraw/zinc/00/34/17/813003417.db2.gz VMNRJAAHTMFCNF-QWRGUYRKSA-N 2 0 258.366 -0.386 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001120644308 813005266 /nfs/dbraw/zinc/00/52/66/813005266.db2.gz DKLNPXCCPZQDLS-VWYCJHECSA-N 2 0 256.350 -0.789 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NCCN1CCC([NH3+])CC1 ZINC001120648152 813006311 /nfs/dbraw/zinc/00/63/11/813006311.db2.gz HTNIWGJNGNJELK-UHFFFAOYSA-N 2 0 287.408 -0.974 20 0 CBADRP CN(CC[NH3+])CCNc1ccc(N2CC[NH+](C)CC2)nn1 ZINC001159432521 815573081 /nfs/dbraw/zinc/57/30/81/815573081.db2.gz WPMIWHFALRSYMW-UHFFFAOYSA-N 2 0 293.419 -0.469 20 0 CBADRP [NH3+]CCOCCOCCNc1ncnc2c1CC[NH2+]CC2 ZINC001159443220 815573357 /nfs/dbraw/zinc/57/33/57/815573357.db2.gz NYQONYRQOZBSDI-UHFFFAOYSA-N 2 0 295.387 -0.431 20 0 CBADRP CN(CC[NH3+])CCNc1cncc(N2CC[NH2+]CC2)n1 ZINC001159439166 815573549 /nfs/dbraw/zinc/57/35/49/815573549.db2.gz LYBGXOPLMIOTKV-UHFFFAOYSA-N 2 0 279.392 -0.811 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2[NH2+]CC23CCOCC3)C1 ZINC001121827091 813078536 /nfs/dbraw/zinc/07/85/36/813078536.db2.gz RICZMEQBXSVSSK-QJPTWQEYSA-N 2 0 267.373 -0.049 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])CO)c1ccsc1 ZINC001121903057 813087592 /nfs/dbraw/zinc/08/75/92/813087592.db2.gz BLAPTRNXRNXQBO-NXEZZACHSA-N 2 0 257.359 -0.213 20 0 CBADRP COCCN1CCN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001121906148 813088149 /nfs/dbraw/zinc/08/81/49/813088149.db2.gz QRFOCGCZNOIOIK-FRRDWIJNSA-N 2 0 267.373 -0.368 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001121901999 813088231 /nfs/dbraw/zinc/08/82/31/813088231.db2.gz SRUFYZJYCIYEME-WCQYABFASA-N 2 0 255.362 -0.300 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001121909460 813089279 /nfs/dbraw/zinc/08/92/79/813089279.db2.gz RQGCWWYJVZUAGN-RYUDHWBXSA-N 2 0 282.388 -0.748 20 0 CBADRP C[NH+](C)CCCCNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001121909504 813089337 /nfs/dbraw/zinc/08/93/37/813089337.db2.gz SWZMLRMSIRZMQD-NSHDSACASA-N 2 0 282.388 -0.735 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001121917317 813090330 /nfs/dbraw/zinc/09/03/30/813090330.db2.gz QYDDWUICTVCPRN-STQMWFEESA-N 2 0 268.405 -0.119 20 0 CBADRP CN(C(=O)[C@H]1CCCN(CC[NH3+])C1=O)C1CC([NH3+])C1 ZINC001121945739 813094828 /nfs/dbraw/zinc/09/48/28/813094828.db2.gz ZBPXKDCGDHHMRO-VQXHTEKXSA-N 2 0 268.361 -0.868 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)CNCC[NH3+])CC[C@@H]21 ZINC001121971489 813097946 /nfs/dbraw/zinc/09/79/46/813097946.db2.gz BVXDQFHBAWGIOB-RYUDHWBXSA-N 2 0 254.378 -0.523 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)CNCC[NH3+])CC[C@H]21 ZINC001121971487 813098406 /nfs/dbraw/zinc/09/84/06/813098406.db2.gz BVXDQFHBAWGIOB-NWDGAFQWSA-N 2 0 254.378 -0.523 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001121975366 813099971 /nfs/dbraw/zinc/09/99/71/813099971.db2.gz RGONGEDWUXMOFG-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H]1CCC[C@](CNC(=O)[C@H]([NH3+])CO)([NH+](C)C)C1 ZINC001121988335 813100993 /nfs/dbraw/zinc/10/09/93/813100993.db2.gz JWWGAHRXWBFFFW-WZRBSPASSA-N 2 0 257.378 -0.067 20 0 CBADRP C[C@H]1CCC[C@](CNC(=O)[C@H]([NH3+])CO)([NH+](C)C)C1 ZINC001121988332 813101016 /nfs/dbraw/zinc/10/10/16/813101016.db2.gz JWWGAHRXWBFFFW-LOWVWBTDSA-N 2 0 257.378 -0.067 20 0 CBADRP C[C@@H]1C[C@H](C(=O)N2CCCO[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001121990919 813101093 /nfs/dbraw/zinc/10/10/93/813101093.db2.gz TYRORPYQHJUMHK-IJLUTSLNSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)CNCC[NH3+])[C@@H](C)C1 ZINC001122002536 813102605 /nfs/dbraw/zinc/10/26/05/813102605.db2.gz GNAWOFHLFROBEP-NWDGAFQWSA-N 2 0 256.394 -0.277 20 0 CBADRP C[C@@H]1CN(CCNC(=O)[C@]23CC[C@H]2C[NH2+]C3)CCO1 ZINC001121996200 813103169 /nfs/dbraw/zinc/10/31/69/813103169.db2.gz DRTMRPDFHPDJDD-DYEKYZERSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CC1CC([NH3+])C1 ZINC001122009303 813103668 /nfs/dbraw/zinc/10/36/68/813103668.db2.gz LBEFNDYUHLYGFK-PNESKVBLSA-N 2 0 268.405 -0.134 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001122010812 813103796 /nfs/dbraw/zinc/10/37/96/813103796.db2.gz ZTXFXWAZMPUQPX-VKYHIEHISA-N 2 0 269.389 -0.056 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC001122011048 813104281 /nfs/dbraw/zinc/10/42/81/813104281.db2.gz GSCYCFXPNUETGM-NWBUJAPZSA-N 2 0 269.389 -0.211 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC001122010887 813104346 /nfs/dbraw/zinc/10/43/46/813104346.db2.gz BJXPKVDXHAETEQ-SNVBAGLBSA-N 2 0 257.334 -0.569 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CC1CC([NH3+])C1 ZINC001122009302 813104491 /nfs/dbraw/zinc/10/44/91/813104491.db2.gz LBEFNDYUHLYGFK-HIFPTAJRSA-N 2 0 268.405 -0.134 20 0 CBADRP C[NH2+]Cc1ccccc1CNC(=O)C[C@@H](O)C[NH3+] ZINC001122046199 813109492 /nfs/dbraw/zinc/10/94/92/813109492.db2.gz BBNSZIFOCDKKPQ-GFCCVEGCSA-N 2 0 251.330 -0.268 20 0 CBADRP C[NH2+]CCCN(C)C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001122071509 813111892 /nfs/dbraw/zinc/11/18/92/813111892.db2.gz SLKKWJYOWGGERZ-LLVKDONJSA-N 2 0 270.377 -0.748 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001122075298 813112768 /nfs/dbraw/zinc/11/27/68/813112768.db2.gz KHMJRSAMRCMJKP-GMXVVIOVSA-N 2 0 255.362 -0.300 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 ZINC001122077607 813114439 /nfs/dbraw/zinc/11/44/39/813114439.db2.gz QHGHQSCLNALQPA-UJPOAAIJSA-N 2 0 267.373 -0.396 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001122080158 813114757 /nfs/dbraw/zinc/11/47/57/813114757.db2.gz CIVYUHOYYKECEN-FDYHWXHSSA-N 2 0 266.389 -0.239 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC001122097264 813116835 /nfs/dbraw/zinc/11/68/35/813116835.db2.gz YKBWQRSYMOILNC-LLVKDONJSA-N 2 0 265.313 -0.183 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(CC[NH3+])cc1 ZINC001122099383 813116990 /nfs/dbraw/zinc/11/69/90/813116990.db2.gz GQUQPOAAGXNTLY-CYBMUJFWSA-N 2 0 265.357 -0.160 20 0 CBADRP CC(C)C[C@H]([NH3+])CC(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001122109594 813119021 /nfs/dbraw/zinc/11/90/21/813119021.db2.gz KRWFAOXZSCACKY-GWCFXTLKSA-N 2 0 268.361 -0.255 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001122119312 813119880 /nfs/dbraw/zinc/11/98/80/813119880.db2.gz NGNYRGASCANZQV-MEWQQHAOSA-N 2 0 255.362 -0.729 20 0 CBADRP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CC[NH2+]C[C@H]1CO ZINC001122124103 813120053 /nfs/dbraw/zinc/12/00/53/813120053.db2.gz GFNAHCLGLBJBJB-GVXVVHGQSA-N 2 0 253.346 -0.831 20 0 CBADRP O=C(N[C@H]1COC2(C[NH2+]C2)C1)C12CCC[NH+]1CCC2 ZINC001122142223 813122297 /nfs/dbraw/zinc/12/22/97/813122297.db2.gz LKKXIITYUSOAKH-LLVKDONJSA-N 2 0 265.357 -0.138 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC001122136582 813122630 /nfs/dbraw/zinc/12/26/30/813122630.db2.gz NKIQLTGZAONBIL-OLZOCXBDSA-N 2 0 269.389 -0.066 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]2(C)C[NH2+]CCO2)C[C@H]1CC[NH3+] ZINC001122144794 813123642 /nfs/dbraw/zinc/12/36/42/813123642.db2.gz GIARHVYWAZFJGA-NQBHXWOUSA-N 2 0 255.362 -0.192 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)c1ccn(CCC[NH3+])n1 ZINC001122143520 813123839 /nfs/dbraw/zinc/12/38/39/813123839.db2.gz ITPGULCFDUJHRW-MNOVXSKESA-N 2 0 265.361 -0.183 20 0 CBADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@H](O)C[NH3+] ZINC001122149228 813125359 /nfs/dbraw/zinc/12/53/59/813125359.db2.gz SPGOYGSIUJWMEG-SECBINFHSA-N 2 0 257.359 -0.141 20 0 CBADRP C[C@@]1(NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[NH2+]C1 ZINC001122161280 813125720 /nfs/dbraw/zinc/12/57/20/813125720.db2.gz ZPIWTGRESNQGNI-GXFFZTMASA-N 2 0 268.361 -0.948 20 0 CBADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001122156450 813125727 /nfs/dbraw/zinc/12/57/27/813125727.db2.gz NNZGUOMIANFNOX-TUAOUCFPSA-N 2 0 255.362 -0.267 20 0 CBADRP C[C@]1(NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[NH2+]C1 ZINC001122161281 813126059 /nfs/dbraw/zinc/12/60/59/813126059.db2.gz ZPIWTGRESNQGNI-MFKMUULPSA-N 2 0 268.361 -0.948 20 0 CBADRP C[C@@]1(NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[NH2+]C1 ZINC001122161283 813126235 /nfs/dbraw/zinc/12/62/35/813126235.db2.gz ZPIWTGRESNQGNI-ZWNOBZJWSA-N 2 0 268.361 -0.948 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC001122157089 813126263 /nfs/dbraw/zinc/12/62/63/813126263.db2.gz TUMUDDPPKUTSGJ-PJSNJIKXSA-N 2 0 267.373 -0.254 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1[NH2+]CC12CCCC2 ZINC001122171072 813126655 /nfs/dbraw/zinc/12/66/55/813126655.db2.gz APYMCNCBRNIRED-QWRGUYRKSA-N 2 0 253.346 -0.377 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001122184966 813129136 /nfs/dbraw/zinc/12/91/36/813129136.db2.gz LBZWEBWGANLZAC-WISYIIOYSA-N 2 0 252.362 -0.677 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001122184964 813129306 /nfs/dbraw/zinc/12/93/06/813129306.db2.gz LBZWEBWGANLZAC-WHOHXGKFSA-N 2 0 252.362 -0.677 20 0 CBADRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001122182194 813129339 /nfs/dbraw/zinc/12/93/39/813129339.db2.gz UWXAAGDMLMHNTH-ZDEQEGDKSA-N 2 0 296.415 -0.219 20 0 CBADRP O=C([C@H]1C[NH2+]CCC1(F)F)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001122189905 813129895 /nfs/dbraw/zinc/12/98/95/813129895.db2.gz LEAKHXIPAFYYMI-LDYMZIIASA-N 2 0 288.298 -0.773 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]([NH3+])C(C)(C)O)CC[C@H]21 ZINC001122191466 813130176 /nfs/dbraw/zinc/13/01/76/813130176.db2.gz MMXMFICVKKQGKO-HBNTYKKESA-N 2 0 255.362 -0.363 20 0 CBADRP O=C([C@@H]1C[NH2+]CCC1(F)F)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001122189904 813130424 /nfs/dbraw/zinc/13/04/24/813130424.db2.gz LEAKHXIPAFYYMI-KWQFWETISA-N 2 0 288.298 -0.773 20 0 CBADRP [NH3+]CCCCCCC(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001122190974 813130449 /nfs/dbraw/zinc/13/04/49/813130449.db2.gz SPFDXIBLWZKWKW-ZDUSSCGKSA-N 2 0 268.361 -0.109 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001122197179 813131954 /nfs/dbraw/zinc/13/19/54/813131954.db2.gz XTWXJZZSLYVCTK-FDYHWXHSSA-N 2 0 266.389 -0.239 20 0 CBADRP CC(C)[C@H](C(=O)N1CCC[C@]([NH3+])(CO)C1)[C@H](C)[NH3+] ZINC001122206274 813132509 /nfs/dbraw/zinc/13/25/09/813132509.db2.gz WYYIIWPFWJXUHW-GMXVVIOVSA-N 2 0 257.378 -0.082 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC001122205645 813132627 /nfs/dbraw/zinc/13/26/27/813132627.db2.gz NXGPDNYKJUYVIS-SGMGOOAPSA-N 2 0 267.373 -0.171 20 0 CBADRP CC(C)[C@H](C(=O)N1CCC[C@]([NH3+])(CO)C1)[C@@H](C)[NH3+] ZINC001122206277 813133568 /nfs/dbraw/zinc/13/35/68/813133568.db2.gz WYYIIWPFWJXUHW-NTZNESFSSA-N 2 0 257.378 -0.082 20 0 CBADRP CN(C)c1cc[nH+]c(CNC(=O)C[C@H](O)C[NH3+])c1 ZINC001122237668 813137128 /nfs/dbraw/zinc/13/71/28/813137128.db2.gz ZTPYPUKEPYKNQG-NSHDSACASA-N 2 0 252.318 -0.527 20 0 CBADRP [NH3+]C[C@]1(C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CCCOC1 ZINC001122241458 813137536 /nfs/dbraw/zinc/13/75/36/813137536.db2.gz PBSSXTVJUZHYOF-NTZNESFSSA-N 2 0 255.362 -0.015 20 0 CBADRP CC(C)([NH3+])C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001122278146 813139729 /nfs/dbraw/zinc/13/97/29/813139729.db2.gz VCCIYLVVBLBQQA-SECBINFHSA-N 2 0 269.345 -0.475 20 0 CBADRP [NH3+]C[C@@H](C(=O)N1CCNCC[NH2+]CC1)c1ccccc1 ZINC001122291249 813140369 /nfs/dbraw/zinc/14/03/69/813140369.db2.gz IXXQMFDRJZICJL-CQSZACIVSA-N 2 0 276.384 -0.250 20 0 CBADRP CN1CCN(C(=O)C[C@H]([NH3+])C2CC2)CC[N@H+](C)CC1 ZINC001122290077 813140406 /nfs/dbraw/zinc/14/04/06/813140406.db2.gz AXSHBOKKVXTWGK-ZDUSSCGKSA-N 2 0 268.405 -0.180 20 0 CBADRP CN1CCN(C(=O)CC[NH2+]C2CC2)CC[N@H+](C)CC1 ZINC001122290313 813141020 /nfs/dbraw/zinc/14/10/20/813141020.db2.gz FWPQAMSOLGCWFW-UHFFFAOYSA-N 2 0 268.405 -0.166 20 0 CBADRP CC[C@@]1(C(=O)N2CCNCC[NH2+]CC2)CC[NH2+]C1 ZINC001122288096 813141123 /nfs/dbraw/zinc/14/11/23/813141123.db2.gz NHDFEEWEPITYJA-CYBMUJFWSA-N 2 0 254.378 -0.603 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC001122291587 813141130 /nfs/dbraw/zinc/14/11/30/813141130.db2.gz MDRQSEFIUBZWIJ-HRDQMINSSA-N 2 0 267.373 -0.169 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[N@H+](C)CC1 ZINC001122290770 813141181 /nfs/dbraw/zinc/14/11/81/813141181.db2.gz LOGCADQQPSAWFZ-BFHYXJOUSA-N 2 0 280.416 -0.167 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CC[C@@H]1C[NH3+] ZINC001122295094 813142252 /nfs/dbraw/zinc/14/22/52/813142252.db2.gz DDCUJCWWKOHVHR-IJLUTSLNSA-N 2 0 255.362 -0.192 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC001122301852 813143561 /nfs/dbraw/zinc/14/35/61/813143561.db2.gz NGQHKKXJPGZAEH-SFTQSGBHSA-N 2 0 267.373 -0.179 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC001122330662 813148672 /nfs/dbraw/zinc/14/86/72/813148672.db2.gz GFTLDVBBIBHUNH-ZIQFBCGOSA-N 2 0 253.346 -0.584 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC001122412736 813161995 /nfs/dbraw/zinc/16/19/95/813161995.db2.gz XZJZYZPOVVKIMS-OPQQBVKSSA-N 2 0 269.345 -0.393 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC001122412734 813162236 /nfs/dbraw/zinc/16/22/36/813162236.db2.gz XZJZYZPOVVKIMS-CWSCBRNRSA-N 2 0 269.345 -0.393 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCSC ZINC001122419373 813162696 /nfs/dbraw/zinc/16/26/96/813162696.db2.gz PWDYNOBTYAIBOI-NXEZZACHSA-N 2 0 261.391 -0.486 20 0 CBADRP C[C@H](NC(=O)[C@H]1CCCC[NH2+]1)[C@H]1C[N@H+](C)CCN1C ZINC001122447572 813165816 /nfs/dbraw/zinc/16/58/16/813165816.db2.gz FSRPOXFZXQCZOH-YNEHKIRRSA-N 2 0 268.405 -0.121 20 0 CBADRP NC(=O)c1cc(Cl)nc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159786381 815595173 /nfs/dbraw/zinc/59/51/73/815595173.db2.gz ZBRBVVZEZGGXGJ-ZETCQYMHSA-N 2 0 258.713 -0.336 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001122494315 813170904 /nfs/dbraw/zinc/17/09/04/813170904.db2.gz BXMHKVGNYSTMCM-OBJOEFQTSA-N 2 0 267.373 -0.272 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(C(=O)NC2CC2)nn1 ZINC001159789845 815595767 /nfs/dbraw/zinc/59/57/67/815595767.db2.gz YHHMERQWFQKEMI-SNVBAGLBSA-N 2 0 264.333 -0.196 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001122535924 813174533 /nfs/dbraw/zinc/17/45/33/813174533.db2.gz LSZNZNBAMPLOTM-WOPDTQHZSA-N 2 0 255.362 -0.219 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)[C@@H]1C[N@H+](C)CCN1C ZINC001122540555 813174821 /nfs/dbraw/zinc/17/48/21/813174821.db2.gz FSRPOXFZXQCZOH-AGIUHOORSA-N 2 0 268.405 -0.121 20 0 CBADRP C[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)[C@H]1C[N@H+](C)CCN1C ZINC001122540107 813175040 /nfs/dbraw/zinc/17/50/40/813175040.db2.gz AQRVWEKPNBVLCM-TUAOUCFPSA-N 2 0 268.405 -0.265 20 0 CBADRP CNS(=O)(=O)c1ccc(N[C@H]([NH3+])CCC[NH3+])nc1 ZINC001159787405 815596133 /nfs/dbraw/zinc/59/61/33/815596133.db2.gz WMZDLNLWJQKIIO-VIFPVBQESA-N 2 0 273.362 -0.575 20 0 CBADRP CN(C(=O)[C@H]1C[NH2+]CCC1(F)F)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001122567695 813176828 /nfs/dbraw/zinc/17/68/28/813176828.db2.gz VQUFFGYXOZZXIG-RGOKHQFPSA-N 2 0 259.300 -0.093 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N[C@@H]2C[NH2+]CC23CC3)C1=O ZINC001122585356 813177340 /nfs/dbraw/zinc/17/73/40/813177340.db2.gz DFCJHBBYASOCJV-GHMZBOCLSA-N 2 0 280.372 -0.948 20 0 CBADRP NS(=O)(=O)c1cccc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159787892 815596247 /nfs/dbraw/zinc/59/62/47/815596247.db2.gz DCDSKPIPILDVKS-ZETCQYMHSA-N 2 0 259.335 -0.835 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC12CC2 ZINC001122585335 813177969 /nfs/dbraw/zinc/17/79/69/813177969.db2.gz CVHLFPWWHIGCOD-RKDXNWHRSA-N 2 0 255.318 -0.865 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1nccc(N2CCC([NH3+])CC2)n1 ZINC001159787181 815596332 /nfs/dbraw/zinc/59/63/32/815596332.db2.gz SXWOTTAOZGMJCE-NSHDSACASA-N 3 0 279.392 -0.160 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N[C@@H]2C[NH2+]CC23CC3)C1=O ZINC001122585359 813178299 /nfs/dbraw/zinc/17/82/99/813178299.db2.gz DFCJHBBYASOCJV-WDEREUQCSA-N 2 0 280.372 -0.948 20 0 CBADRP NC(=O)c1c(Cl)ncnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159786756 815596917 /nfs/dbraw/zinc/59/69/17/815596917.db2.gz JMPQVUBQZMNTTG-RXMQYKEDSA-N 2 0 258.713 -0.336 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(C(=O)NC2CC2)nn1 ZINC001159789844 815596936 /nfs/dbraw/zinc/59/69/36/815596936.db2.gz YHHMERQWFQKEMI-JTQLQIEISA-N 2 0 264.333 -0.196 20 0 CBADRP Cn1cnnc1C[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159854911 815599915 /nfs/dbraw/zinc/59/99/15/815599915.db2.gz WVCDYTYEVFGBTG-UHFFFAOYSA-N 2 0 294.403 -0.105 20 0 CBADRP CCOC(=O)CN(CC[NH3+])c1ncnc2c1CC[NH2+]C2 ZINC001159861152 815601290 /nfs/dbraw/zinc/60/12/90/815601290.db2.gz PJKITPZZHAWWGQ-UHFFFAOYSA-N 2 0 279.344 -0.550 20 0 CBADRP CCOC(=O)CN(CC[NH3+])c1ncnc2c1CC[NH2+]CC2 ZINC001159861442 815601387 /nfs/dbraw/zinc/60/13/87/815601387.db2.gz UCJRLCXGDFWQEJ-UHFFFAOYSA-N 2 0 293.371 -0.507 20 0 CBADRP Cn1ncnc1C[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159854942 815601478 /nfs/dbraw/zinc/60/14/78/815601478.db2.gz XPUGLIMRAVTNDM-UHFFFAOYSA-N 2 0 294.403 -0.105 20 0 CBADRP CCOC(=O)CN(CC[NH3+])c1ncc2c(n1)CC[NH2+]C2 ZINC001159861433 815601678 /nfs/dbraw/zinc/60/16/78/815601678.db2.gz TYTGIXANFGCDND-UHFFFAOYSA-N 2 0 279.344 -0.550 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159915683 815604874 /nfs/dbraw/zinc/60/48/74/815604874.db2.gz LVIPUZNDLXWHSD-CQSZACIVSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCCn1ccnc1 ZINC001123476850 813242123 /nfs/dbraw/zinc/24/21/23/813242123.db2.gz RHTQNFPZQWUCTR-CHWSQXEVSA-N 2 0 277.372 -0.222 20 0 CBADRP C/C(=C\C(=O)N(C)CC[NH+](C)C)C(=O)N(C)CC[NH+](C)C ZINC001123636117 813254741 /nfs/dbraw/zinc/25/47/41/813254741.db2.gz XMCXCTSSQOYFHT-OUKQBFOZSA-N 2 0 298.431 -0.027 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC([NH+](C)C)C1 ZINC001123775517 813270574 /nfs/dbraw/zinc/27/05/74/813270574.db2.gz XJKBKEYJXAAYJW-ZYHUDNBSSA-N 2 0 252.362 -0.853 20 0 CBADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001124866737 813488794 /nfs/dbraw/zinc/48/87/94/813488794.db2.gz JZTBXEDCVKHKBP-DGCLKSJQSA-N 2 0 296.415 -0.299 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCOC1 ZINC001124866356 813489171 /nfs/dbraw/zinc/48/91/71/813489171.db2.gz AUTGFAHBZNKTQE-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCCO[C@H]1CCOC1 ZINC001124866582 813489868 /nfs/dbraw/zinc/48/98/68/813489868.db2.gz GKDIGTXLDWCGDV-UONOGXRCSA-N 2 0 299.415 -0.018 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001124866502 813490214 /nfs/dbraw/zinc/49/02/14/813490214.db2.gz DUAZUKUNBQVYIT-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCn1cccn1 ZINC001124867449 813490891 /nfs/dbraw/zinc/49/08/91/813490891.db2.gz VZBRKHKIMZLWSE-LBPRGKRZSA-N 2 0 265.361 -0.317 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124872535 813490906 /nfs/dbraw/zinc/49/09/06/813490906.db2.gz JFGUDJBWSRDEER-NSHDSACASA-N 2 0 270.377 -0.689 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124873572 813493488 /nfs/dbraw/zinc/49/34/88/813493488.db2.gz YLXRQZUVTHQGRN-NSHDSACASA-N 2 0 266.349 -0.885 20 0 CBADRP CN1CCC[C@@H]([NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001124878049 813493958 /nfs/dbraw/zinc/49/39/58/813493958.db2.gz KRZZTWXZWZVBID-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CN1CCC[C@H]([NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001124878047 813495021 /nfs/dbraw/zinc/49/50/21/813495021.db2.gz KRZZTWXZWZVBID-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001127065848 813709389 /nfs/dbraw/zinc/70/93/89/813709389.db2.gz FYETYRJCVMRYEL-STQMWFEESA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCCO ZINC001127067121 813710426 /nfs/dbraw/zinc/71/04/26/813710426.db2.gz WVUJEVHLMBZZIW-ZDUSSCGKSA-N 2 0 287.404 -0.426 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001127065619 813710472 /nfs/dbraw/zinc/71/04/72/813710472.db2.gz CDIXDOQDVQLWPH-JTQLQIEISA-N 2 0 256.350 -0.950 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(N)=O ZINC001127082503 813711788 /nfs/dbraw/zinc/71/17/88/813711788.db2.gz SHHBNHDEFGCWBW-VXGBXAGGSA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001127082561 813711966 /nfs/dbraw/zinc/71/19/66/813711966.db2.gz UYEGNLNFDAJZRH-OLZOCXBDSA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256541 813721248 /nfs/dbraw/zinc/72/12/48/813721248.db2.gz OVMWIDXPFLZNJD-NEPJUHHUSA-N 2 0 282.388 -0.687 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256005 813722146 /nfs/dbraw/zinc/72/21/46/813722146.db2.gz LVIOJKBCDOUZHS-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP Cn1cncc1C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475592 813733192 /nfs/dbraw/zinc/73/31/92/813733192.db2.gz WIGMHMXPJJWSSS-AWEZNQCLSA-N 2 0 291.399 -0.032 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)N(C)C ZINC001127481131 813733327 /nfs/dbraw/zinc/73/33/27/813733327.db2.gz PVKRVFJWZXNWAF-WCQYABFASA-N 2 0 296.415 -0.489 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481426 813733386 /nfs/dbraw/zinc/73/33/86/813733386.db2.gz UBRHOTZUDGWMRQ-CHWSQXEVSA-N 2 0 285.388 -0.959 20 0 CBADRP O=C(NCC[NH2+][C@H]1CCCNC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481091 813733484 /nfs/dbraw/zinc/73/34/84/813733484.db2.gz PFGBZORJSQFWQP-OLZOCXBDSA-N 2 0 294.399 -0.687 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001127480499 813733704 /nfs/dbraw/zinc/73/37/04/813733704.db2.gz KLNDBIHRZPKNAE-NWDGAFQWSA-N 2 0 282.388 -0.702 20 0 CBADRP C[NH+](C)CCn1ccc(C(=O)NCC[NH2+]CCF)n1 ZINC001127558404 813735315 /nfs/dbraw/zinc/73/53/15/813735315.db2.gz LLBWIQWIWVLMKI-UHFFFAOYSA-N 2 0 271.340 -0.266 20 0 CBADRP CO[C@H](C)C[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127558116 813735398 /nfs/dbraw/zinc/73/53/98/813735398.db2.gz DIUJNKMKCAFXIX-GFCCVEGCSA-N 2 0 297.403 -0.201 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001127643630 813739291 /nfs/dbraw/zinc/73/92/91/813739291.db2.gz DTPTWLNNXBSGPV-GMTAPVOTSA-N 2 0 270.377 -0.704 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C)CC[N@@H+]1C ZINC001127701463 813740789 /nfs/dbraw/zinc/74/07/89/813740789.db2.gz POVNANRILYTHRI-FRRDWIJNSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C)CC[N@@H+]1C ZINC001127701464 813741746 /nfs/dbraw/zinc/74/17/46/813741746.db2.gz POVNANRILYTHRI-RWMBFGLXSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)CC[N@@H+]1C ZINC001127690565 813741883 /nfs/dbraw/zinc/74/18/83/813741883.db2.gz OSSAFQJGUHLVQS-GHMZBOCLSA-N 2 0 291.417 -0.923 20 0 CBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127690749 813742226 /nfs/dbraw/zinc/74/22/26/813742226.db2.gz SBMAJPYYLIGMJR-YNEHKIRRSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@H](C)O)CC[N@@H+]1C ZINC001127701889 813743516 /nfs/dbraw/zinc/74/35/16/813743516.db2.gz ZQBAMWQLVKQDNZ-SDDRHHMPSA-N 2 0 257.378 -0.197 20 0 CBADRP CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127765280 813747538 /nfs/dbraw/zinc/74/75/38/813747538.db2.gz JNKXCBFSUUUJOS-STQMWFEESA-N 2 0 285.388 -0.408 20 0 CBADRP CCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127765277 813747596 /nfs/dbraw/zinc/74/75/96/813747596.db2.gz JNKXCBFSUUUJOS-CHWSQXEVSA-N 2 0 285.388 -0.408 20 0 CBADRP O=C(NCC[NH2+]CCCF)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779924 813748142 /nfs/dbraw/zinc/74/81/42/813748142.db2.gz SXQWHARXLPWCRX-NWDGAFQWSA-N 2 0 273.352 -0.085 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]C[C@@H](O)COC ZINC001128533120 813778974 /nfs/dbraw/zinc/77/89/74/813778974.db2.gz GZQACPCZRKAZOV-VXGBXAGGSA-N 2 0 293.383 -0.621 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]C[C@@H](O)COC ZINC001128533117 813779738 /nfs/dbraw/zinc/77/97/38/813779738.db2.gz GZQACPCZRKAZOV-NEPJUHHUSA-N 2 0 293.383 -0.621 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001128778734 813798453 /nfs/dbraw/zinc/79/84/53/813798453.db2.gz LEJYNUOOCHKRDO-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](C)O ZINC001128786795 813799282 /nfs/dbraw/zinc/79/92/82/813799282.db2.gz WDGTYMDBTTXYFR-NEPJUHHUSA-N 2 0 257.378 -0.053 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001128783884 813799515 /nfs/dbraw/zinc/79/95/15/813799515.db2.gz JLDXVUUHCCJBFP-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129341443 813836543 /nfs/dbraw/zinc/83/65/43/813836543.db2.gz UYKVESMVKCDVNG-CYBMUJFWSA-N 2 0 298.431 -0.194 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129358136 813839073 /nfs/dbraw/zinc/83/90/73/813839073.db2.gz QJKUYLJELYPVNP-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429658 813841319 /nfs/dbraw/zinc/84/13/19/813841319.db2.gz IXNQJAGKWVPDLF-GFCCVEGCSA-N 2 0 282.388 -0.416 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429659 813841478 /nfs/dbraw/zinc/84/14/78/813841478.db2.gz IXNQJAGKWVPDLF-LBPRGKRZSA-N 2 0 282.388 -0.416 20 0 CBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC(=O)NC1CC1)C1CC1 ZINC001129435326 813841704 /nfs/dbraw/zinc/84/17/04/813841704.db2.gz FRTLTJSRSIVKJP-ZDUSSCGKSA-N 2 0 282.388 -0.689 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129436534 813841999 /nfs/dbraw/zinc/84/19/99/813841999.db2.gz QSIGKLFEJIMJML-NEPJUHHUSA-N 2 0 273.377 -0.960 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129437023 813843550 /nfs/dbraw/zinc/84/35/50/813843550.db2.gz UTLPTUQBXYVTFQ-CYBMUJFWSA-N 2 0 284.404 -0.443 20 0 CBADRP CN(C(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)C1CC1 ZINC001129436723 813843743 /nfs/dbraw/zinc/84/37/43/813843743.db2.gz RUVADRSHBVHSJQ-AWEZNQCLSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CCOCCO)C1CC1 ZINC001129435617 813843782 /nfs/dbraw/zinc/84/37/82/813843782.db2.gz HRCSLEAJRUYNMT-GFCCVEGCSA-N 2 0 273.377 -0.959 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129437217 813845128 /nfs/dbraw/zinc/84/51/28/813845128.db2.gz XWMZQNUWINKYSO-CQSZACIVSA-N 2 0 298.431 -0.099 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1=O ZINC001129444094 813845635 /nfs/dbraw/zinc/84/56/35/813845635.db2.gz PWWYXGBZNVGEAH-NWDGAFQWSA-N 2 0 282.388 -0.737 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)C(=O)N(C)C ZINC001129444678 813845895 /nfs/dbraw/zinc/84/58/95/813845895.db2.gz WZIUOSDNIDLEOW-JQWIXIFHSA-N 2 0 284.404 -0.491 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947057 813881616 /nfs/dbraw/zinc/88/16/16/813881616.db2.gz HUMBJTFWGUXGMS-ZDUSSCGKSA-N 2 0 286.420 -0.197 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C)C(N)=O ZINC001129949245 813882043 /nfs/dbraw/zinc/88/20/43/813882043.db2.gz AJKHNWMSQJYSGL-MNOVXSKESA-N 2 0 272.393 -0.458 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O)[NH+](C)C ZINC001129947010 813883025 /nfs/dbraw/zinc/88/30/25/813883025.db2.gz FILVLQCFAYHOTA-OLZOCXBDSA-N 2 0 298.431 -0.101 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947092 813883312 /nfs/dbraw/zinc/88/33/12/813883312.db2.gz JPIOYKHOOSRQKW-LBPRGKRZSA-N 2 0 272.393 -0.586 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001130173198 813913020 /nfs/dbraw/zinc/91/30/20/813913020.db2.gz BBOWFNRNWZUGTR-LBPRGKRZSA-N 2 0 296.415 -0.168 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130169452 813914285 /nfs/dbraw/zinc/91/42/85/813914285.db2.gz DFXKTWMIKUXHPD-UHFFFAOYSA-N 2 0 296.415 -0.296 20 0 CBADRP O=C(NCC[NH2+]CCOCCO)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130189104 813916103 /nfs/dbraw/zinc/91/61/03/813916103.db2.gz NFLHAQZOQIMVGX-UONOGXRCSA-N 2 0 299.415 -0.282 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1)[NH+](C)C ZINC001130201015 813916667 /nfs/dbraw/zinc/91/66/67/813916667.db2.gz SLZAXURYEGMLPW-CMPLNLGQSA-N 2 0 284.404 -0.301 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130186245 813916771 /nfs/dbraw/zinc/91/67/71/813916771.db2.gz DJXRPEGSSYGOEG-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1)[NH+](C)C ZINC001130198136 813916990 /nfs/dbraw/zinc/91/69/90/813916990.db2.gz WMADJUSAAKSSMS-CYBMUJFWSA-N 2 0 294.399 -0.069 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)N[C@@H](C)CC)[NH+](C)C ZINC001130197777 813917190 /nfs/dbraw/zinc/91/71/90/813917190.db2.gz OZPPHVLQLHCXAZ-NWDGAFQWSA-N 2 0 286.420 -0.053 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC)[NH+](C)C ZINC001130203777 813918124 /nfs/dbraw/zinc/91/81/24/813918124.db2.gz XGASLICBBWZNQT-VHSXEESVSA-N 2 0 258.366 -0.833 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC)[NH+](C)C ZINC001130203776 813918209 /nfs/dbraw/zinc/91/82/09/813918209.db2.gz XGASLICBBWZNQT-NXEZZACHSA-N 2 0 258.366 -0.833 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCCO ZINC001130232075 813920916 /nfs/dbraw/zinc/92/09/16/813920916.db2.gz PKOOKFNTRAIRRR-UHFFFAOYSA-N 2 0 287.404 -0.567 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001130297147 813922459 /nfs/dbraw/zinc/92/24/59/813922459.db2.gz IPXHBCKQPHCVNB-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)N(C)C ZINC001130304010 813924387 /nfs/dbraw/zinc/92/43/87/813924387.db2.gz QJVJLCHGMYPKNU-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130297505 813924824 /nfs/dbraw/zinc/92/48/24/813924824.db2.gz NLQNSCGUJDDZMY-NWDGAFQWSA-N 2 0 273.377 -0.816 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001130300856 813925474 /nfs/dbraw/zinc/92/54/74/813925474.db2.gz WHUMYMJPNOEBCT-ZJUUUORDSA-N 2 0 256.350 -0.950 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130300871 813925550 /nfs/dbraw/zinc/92/55/50/813925550.db2.gz WRDDODKXIHQEJV-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130297504 813925975 /nfs/dbraw/zinc/92/59/75/813925975.db2.gz NLQNSCGUJDDZMY-NEPJUHHUSA-N 2 0 273.377 -0.816 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCO ZINC001130708770 813968230 /nfs/dbraw/zinc/96/82/30/813968230.db2.gz HHROCZFYGCYENH-GFCCVEGCSA-N 2 0 257.378 -0.195 20 0 CBADRP O=C(C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2)NC1CC1 ZINC001130805851 813984335 /nfs/dbraw/zinc/98/43/35/813984335.db2.gz PFIHKCFFFZWTNO-UHFFFAOYSA-N 2 0 294.399 -0.401 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130805996 813984396 /nfs/dbraw/zinc/98/43/96/813984396.db2.gz XQSRHOQFRDDPQW-UHFFFAOYSA-N 2 0 282.388 -0.543 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196382 814012654 /nfs/dbraw/zinc/01/26/54/814012654.db2.gz DFYHLIBDIHLDIB-LLVKDONJSA-N 2 0 289.339 -0.033 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131370944 814024296 /nfs/dbraw/zinc/02/42/96/814024296.db2.gz YFTCKIAVOFKPGS-UHFFFAOYSA-N 2 0 275.312 -0.600 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131789999 814068821 /nfs/dbraw/zinc/06/88/21/814068821.db2.gz CRIFXVBPPGBOLI-KBPBESRZSA-N 2 0 299.415 -0.426 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001131794392 814069288 /nfs/dbraw/zinc/06/92/88/814069288.db2.gz XNJHDQNNRQYYGY-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790747 814069336 /nfs/dbraw/zinc/06/93/36/814069336.db2.gz USZGJHBWDDZFGA-GFCCVEGCSA-N 2 0 268.361 -0.948 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)C(N)=O ZINC001131790104 814069562 /nfs/dbraw/zinc/06/95/62/814069562.db2.gz GEMZGJQLSKAEMQ-JQWIXIFHSA-N 2 0 282.388 -0.560 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131789960 814070060 /nfs/dbraw/zinc/07/00/60/814070060.db2.gz BVMOHTXBFUIPRD-YPMHNXCESA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131786620 814070241 /nfs/dbraw/zinc/07/02/41/814070241.db2.gz YTZJVKNLTYBSDS-ZDUSSCGKSA-N 2 0 282.388 -0.687 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283817 814120551 /nfs/dbraw/zinc/12/05/51/814120551.db2.gz KAYJWZQXMZKKJX-UHFFFAOYSA-N 2 0 294.403 -0.105 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC)C1 ZINC001132738395 814182279 /nfs/dbraw/zinc/18/22/79/814182279.db2.gz BJAAKNFEKYMQDX-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)C1 ZINC001132738046 814183333 /nfs/dbraw/zinc/18/33/33/814183333.db2.gz UMLGPNXDTOLGTF-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790773 814188767 /nfs/dbraw/zinc/18/87/67/814188767.db2.gz KFVZQANUBAYNSA-ZDUSSCGKSA-N 2 0 296.415 -0.025 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC001132892828 814199886 /nfs/dbraw/zinc/19/98/86/814199886.db2.gz BRKKAJZWKQNVPU-XQQFMLRXSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001132893065 814199907 /nfs/dbraw/zinc/19/99/07/814199907.db2.gz JBHXDMFTQTZJJW-SRVKXCTJSA-N 2 0 284.404 -0.314 20 0 CBADRP Cn1nccc1C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993412 814206264 /nfs/dbraw/zinc/20/62/64/814206264.db2.gz SOYVZLIWNHCHNM-UHFFFAOYSA-N 2 0 279.388 -0.032 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CCS(C)(=O)=O)CC1 ZINC001132993104 814207505 /nfs/dbraw/zinc/20/75/05/814207505.db2.gz NMJFXPFDDITSSV-UHFFFAOYSA-N 2 0 291.417 -0.921 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133051859 814211648 /nfs/dbraw/zinc/21/16/48/814211648.db2.gz RWFQSFDXLMIPQZ-UHFFFAOYSA-N 2 0 286.420 -0.194 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)CCC[NH+](C)C)C1=O ZINC001133051257 814212309 /nfs/dbraw/zinc/21/23/09/814212309.db2.gz BSEFXKPARVZLGR-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)CCC[NH+](C)C)C(=O)NC1CC1 ZINC001133051996 814212462 /nfs/dbraw/zinc/21/24/62/814212462.db2.gz XJANNNIHFRQFRC-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH+](C)CCCC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001133051642 814212554 /nfs/dbraw/zinc/21/25/54/814212554.db2.gz JCUHCWPTMLPWQA-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP C[NH+](C)CCCC(=O)NCC[NH2+]CCn1cncn1 ZINC001133051778 814212863 /nfs/dbraw/zinc/21/28/63/814212863.db2.gz OHEUVJJMSJDRMM-UHFFFAOYSA-N 2 0 268.365 -0.674 20 0 CBADRP C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C[NH2+]CC(N)=O ZINC001133073598 814213782 /nfs/dbraw/zinc/21/37/82/814213782.db2.gz WGOKVSROEDIBAD-OLZOCXBDSA-N 2 0 298.431 -0.112 20 0 CBADRP C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001133090320 814215969 /nfs/dbraw/zinc/21/59/69/814215969.db2.gz GFRKSYDDSFVUMD-NWDGAFQWSA-N 2 0 284.404 -0.502 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001133274336 814232907 /nfs/dbraw/zinc/23/29/07/814232907.db2.gz GMAVANNXTZIXJZ-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP Cn1cc(C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)cn1 ZINC001133285984 814235312 /nfs/dbraw/zinc/23/53/12/814235312.db2.gz QXJGTAMHKOOBBP-UHFFFAOYSA-N 2 0 279.388 -0.032 20 0 CBADRP Cn1nccc1CC[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133288468 814235836 /nfs/dbraw/zinc/23/58/36/814235836.db2.gz XFNUBJGEFZUORY-UHFFFAOYSA-N 2 0 267.377 -0.380 20 0 CBADRP Cn1nccc1C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285655 814236040 /nfs/dbraw/zinc/23/60/40/814236040.db2.gz BSFYPMGCDNEWSP-UHFFFAOYSA-N 2 0 279.388 -0.032 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133418593 814251491 /nfs/dbraw/zinc/25/14/91/814251491.db2.gz ACSRQUDVUDLSJL-WDEREUQCSA-N 2 0 272.393 -0.587 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133419544 814252393 /nfs/dbraw/zinc/25/23/93/814252393.db2.gz RNLVEUMYVLXBHU-NWDGAFQWSA-N 2 0 275.393 -0.714 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001133434159 814253226 /nfs/dbraw/zinc/25/32/26/814253226.db2.gz JESBILYVUAZCSJ-NWDGAFQWSA-N 2 0 286.420 -0.245 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+][C@H]1CCNC1=O)[NH+](CC)CC ZINC001133684132 814287364 /nfs/dbraw/zinc/28/73/64/814287364.db2.gz DGUONANBXSPWGY-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)COC)[NH+](CC)CC ZINC001133684163 814288144 /nfs/dbraw/zinc/28/81/44/814288144.db2.gz FBTQHWRYRRJPBN-CHWSQXEVSA-N 2 0 289.420 -0.180 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CC(N)=O)[NH+](CC)CC ZINC001133684925 814288346 /nfs/dbraw/zinc/28/83/46/814288346.db2.gz NSAHXBQRCNUDKP-JTQLQIEISA-N 2 0 258.366 -0.702 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)C(N)=O ZINC001133820045 814299371 /nfs/dbraw/zinc/29/93/71/814299371.db2.gz WMALJEYZARSTDB-ZJUUUORDSA-N 2 0 256.350 -0.950 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001133820036 814300286 /nfs/dbraw/zinc/30/02/86/814300286.db2.gz WBLRYJDXTRTTJR-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001133819653 814300768 /nfs/dbraw/zinc/30/07/68/814300768.db2.gz KEYCYWCOODHPQU-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001133824012 814301574 /nfs/dbraw/zinc/30/15/74/814301574.db2.gz VVFPXGWKOSUSTR-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)C(N)=O ZINC001133823633 814302450 /nfs/dbraw/zinc/30/24/50/814302450.db2.gz KUUFFURSVCIINR-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)C(=O)N(C)C ZINC001133824089 814303429 /nfs/dbraw/zinc/30/34/29/814303429.db2.gz XMSHUMGTPLAAGO-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001133833709 814303563 /nfs/dbraw/zinc/30/35/63/814303563.db2.gz CVMVTMBYWHPYPC-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133849829 814306310 /nfs/dbraw/zinc/30/63/10/814306310.db2.gz FCXIJIQPLFXSLX-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001133849633 814306403 /nfs/dbraw/zinc/30/64/03/814306403.db2.gz BBAWOGSVLVCSSX-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133846332 814307718 /nfs/dbraw/zinc/30/77/18/814307718.db2.gz YZWFXLIEPDWKGH-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CCn2cncn2)C1 ZINC001133846342 814308856 /nfs/dbraw/zinc/30/88/56/814308856.db2.gz ZDSCACRPMCTVOS-GFCCVEGCSA-N 2 0 280.376 -0.674 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCc1ccnn1C ZINC001133862331 814309831 /nfs/dbraw/zinc/30/98/31/814309831.db2.gz CORSBCZGLLIIHH-TZMCWYRMSA-N 2 0 293.415 -0.134 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001133862837 814309852 /nfs/dbraw/zinc/30/98/52/814309852.db2.gz GTTJWHZLJMLWBG-QWHCGFSZSA-N 2 0 296.415 -0.488 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133853205 814310231 /nfs/dbraw/zinc/31/02/31/814310231.db2.gz DZXQTYADCXFPBD-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2ccnn2C)C1 ZINC001133854134 814311014 /nfs/dbraw/zinc/31/10/14/814311014.db2.gz YMNLHUWSXFQZFQ-GFCCVEGCSA-N 2 0 279.388 -0.032 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001133863959 814313332 /nfs/dbraw/zinc/31/33/32/814313332.db2.gz RZWPPHYRBIFTCB-WCQYABFASA-N 2 0 296.415 -0.584 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cnn(C)c1 ZINC001133867037 814313790 /nfs/dbraw/zinc/31/37/90/814313790.db2.gz QSDXUCMAVPVUTJ-AAEUAGOBSA-N 2 0 279.388 -0.176 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001133869714 814317104 /nfs/dbraw/zinc/31/71/04/814317104.db2.gz JYGWSQFBPOWYGF-PWSUYJOCSA-N 2 0 282.388 -0.832 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1)C(N)=O ZINC001133896697 814319196 /nfs/dbraw/zinc/31/91/96/814319196.db2.gz OUROLNRIOWGQBB-JTQLQIEISA-N 2 0 270.377 -0.702 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001133894003 814319749 /nfs/dbraw/zinc/31/97/49/814319749.db2.gz RRXGXDZSHALQNC-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[N@H+](CC(=O)NCC[NH2+][C@H]1CCCNC1=O)CC(C)(C)C ZINC001133899397 814320204 /nfs/dbraw/zinc/32/02/04/814320204.db2.gz FTKZXVLXVLNBDV-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133896495 814320554 /nfs/dbraw/zinc/32/05/54/814320554.db2.gz LLCMJGKWZXMIRN-LLVKDONJSA-N 2 0 284.404 -0.441 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133893698 814321001 /nfs/dbraw/zinc/32/10/01/814321001.db2.gz MUMZQWBRXICTPD-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001133965682 814330447 /nfs/dbraw/zinc/33/04/47/814330447.db2.gz DXUAXONQZCTOGT-MNOVXSKESA-N 2 0 272.393 -0.491 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CCN1CCNC1=O)[NH+](C)C ZINC001133965674 814330467 /nfs/dbraw/zinc/33/04/67/814330467.db2.gz DOVWJFSCOVZHAX-NSHDSACASA-N 2 0 285.392 -0.942 20 0 CBADRP C[C@H](COCC(=O)NCC[NH2+]CCO)[NH+]1CCCC1 ZINC001134020869 814339411 /nfs/dbraw/zinc/33/94/11/814339411.db2.gz JGCLLQMPIJOIGJ-GFCCVEGCSA-N 2 0 273.377 -0.815 20 0 CBADRP C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001134613065 814399673 /nfs/dbraw/zinc/39/96/73/814399673.db2.gz RWMVQNPKAJSHIB-WDEREUQCSA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001134762559 814411111 /nfs/dbraw/zinc/41/11/11/814411111.db2.gz BUXKPYIBODBRGN-RYUDHWBXSA-N 2 0 284.404 -0.171 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780438 814413401 /nfs/dbraw/zinc/41/34/01/814413401.db2.gz GYKFAZNRWADNER-NSHDSACASA-N 2 0 284.404 -0.441 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780426 814413455 /nfs/dbraw/zinc/41/34/55/814413455.db2.gz GLELNFOSJZORJY-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001134857547 814419589 /nfs/dbraw/zinc/41/95/89/814419589.db2.gz FBUPTQGERZCIHN-VXGBXAGGSA-N 2 0 296.415 -0.027 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135095682 814436841 /nfs/dbraw/zinc/43/68/41/814436841.db2.gz NTGKYQHXKBCFOO-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135102233 814437386 /nfs/dbraw/zinc/43/73/86/814437386.db2.gz AIYDYSRIVNPMEN-NWDGAFQWSA-N 2 0 255.362 -0.299 20 0 CBADRP CO[C@@H](C)C[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135117969 814439886 /nfs/dbraw/zinc/43/98/86/814439886.db2.gz FMVSQBFFNYMQQA-LBPRGKRZSA-N 2 0 297.403 -0.201 20 0 CBADRP C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CCC[NH+](C)C ZINC001135314394 814460387 /nfs/dbraw/zinc/46/03/87/814460387.db2.gz ABTHSASARUFWOX-WDEREUQCSA-N 2 0 272.393 -0.314 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298426 814460916 /nfs/dbraw/zinc/46/09/16/814460916.db2.gz MHKJJQXFVQMIAF-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159925516 815604998 /nfs/dbraw/zinc/60/49/98/815604998.db2.gz RTYNVKRZNCWUSE-QWHCGFSZSA-N 2 0 287.404 -0.570 20 0 CBADRP C[NH+](C)Cc1ccc(C(=O)NCC[NH2+]CC(N)=O)cc1 ZINC001135341144 814465314 /nfs/dbraw/zinc/46/53/14/814465314.db2.gz OWEYJYBLUUNBPV-UHFFFAOYSA-N 2 0 278.356 -0.447 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001159929659 815605794 /nfs/dbraw/zinc/60/57/94/815605794.db2.gz HXTATPRZMNIFES-RWMBFGLXSA-N 2 0 268.405 -0.182 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997346 815605915 /nfs/dbraw/zinc/60/59/15/815605915.db2.gz MZWIEBPAHCAYIL-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CC[NH+](C)C ZINC001135371812 814470209 /nfs/dbraw/zinc/47/02/09/814470209.db2.gz JGDFEFSBWVQPSL-VHSXEESVSA-N 2 0 258.366 -0.704 20 0 CBADRP C[NH2+]CCC(=O)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001159929715 815606474 /nfs/dbraw/zinc/60/64/74/815606474.db2.gz KEEDKFIXIVFXIA-QWHCGFSZSA-N 2 0 268.405 -0.167 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135372861 814470953 /nfs/dbraw/zinc/47/09/53/814470953.db2.gz UAOUYKGOQJTIJP-MNOVXSKESA-N 2 0 272.393 -0.443 20 0 CBADRP C[N@H+](CC(=O)NCCC[NH2+][C@H]1CCNC1=O)C1CCC1 ZINC001159997110 815606673 /nfs/dbraw/zinc/60/66/73/815606673.db2.gz GQIUXGNSKOQXAX-LBPRGKRZSA-N 2 0 282.388 -0.545 20 0 CBADRP Cn1cc(C[NH2+]CCCNC(=O)C[N@H+](C)C2CCC2)nn1 ZINC001159997356 815606861 /nfs/dbraw/zinc/60/68/61/815606861.db2.gz NKIUZMRCUAWDPF-UHFFFAOYSA-N 2 0 294.403 -0.105 20 0 CBADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+][C@@H]1CCNC1=O)C(C)C ZINC001135477889 814477446 /nfs/dbraw/zinc/47/74/46/814477446.db2.gz SMSQDMTWKGGPCK-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001135511421 814480610 /nfs/dbraw/zinc/48/06/10/814480610.db2.gz RPWWQXFFSXXNLZ-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CCCCNC(=O)C[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135511560 814481520 /nfs/dbraw/zinc/48/15/20/814481520.db2.gz SVATZMQZLWWQLH-UHFFFAOYSA-N 2 0 286.420 -0.050 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)C[NH+](CC)CC)C(N)=O ZINC001135513384 814481624 /nfs/dbraw/zinc/48/16/24/814481624.db2.gz NIRHQFANDOKOCD-SNVBAGLBSA-N 2 0 258.366 -0.702 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001135511420 814481668 /nfs/dbraw/zinc/48/16/68/814481668.db2.gz RPWWQXFFSXXNLZ-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001135513662 814481724 /nfs/dbraw/zinc/48/17/24/814481724.db2.gz UCABTPORHWCBBE-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001135523856 814484414 /nfs/dbraw/zinc/48/44/14/814484414.db2.gz NBDYSZUQAURMSR-CYBMUJFWSA-N 2 0 297.403 -0.708 20 0 CBADRP CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@H]21 ZINC001160084409 815610522 /nfs/dbraw/zinc/61/05/22/815610522.db2.gz FGVIIFCKKKECRE-KXNHARMFSA-N 2 0 282.388 -0.718 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001160268285 815613609 /nfs/dbraw/zinc/61/36/09/815613609.db2.gz YQLQSPBKUPPCHL-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001160272468 815613910 /nfs/dbraw/zinc/61/39/10/815613910.db2.gz AVXNAJYWKYCWLL-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135688327 814512297 /nfs/dbraw/zinc/51/22/97/814512297.db2.gz MDVQBZGBNQGHOI-UHFFFAOYSA-N 2 0 270.377 -0.830 20 0 CBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001160421016 815618965 /nfs/dbraw/zinc/61/89/65/815618965.db2.gz OKXDSNOVFHWCNM-AWEZNQCLSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[C@@H](C(=O)NCCC[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C ZINC001160426916 815619285 /nfs/dbraw/zinc/61/92/85/815619285.db2.gz KDMVNWNADTVXBA-STQMWFEESA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160420378 815619291 /nfs/dbraw/zinc/61/92/91/815619291.db2.gz BSDHIYVLVLDDHT-LBPRGKRZSA-N 2 0 272.393 -0.586 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160427075 815619396 /nfs/dbraw/zinc/61/93/96/815619396.db2.gz MMDVGUKGHRMADH-STQMWFEESA-N 2 0 289.420 -0.324 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938669 814539100 /nfs/dbraw/zinc/53/91/00/814539100.db2.gz MRZAESBOGHZADA-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938416 814539144 /nfs/dbraw/zinc/53/91/44/814539144.db2.gz IZALGKRTJKMKJZ-QWRGUYRKSA-N 2 0 282.388 -0.560 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001135981086 814542609 /nfs/dbraw/zinc/54/26/09/814542609.db2.gz XLMJHPAGVGNUDC-GHMZBOCLSA-N 2 0 272.393 -0.314 20 0 CBADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)C2C[NH+](C)C2)C1 ZINC001142593983 814720726 /nfs/dbraw/zinc/72/07/26/814720726.db2.gz SEIMWXPWTOUNEV-GFCCVEGCSA-N 2 0 291.399 -0.035 20 0 CBADRP OC[C@H]1C[NH2+]C[C@@H]1Nc1nc(Cl)nc2c1CC[NH2+]C2 ZINC001159673015 815584722 /nfs/dbraw/zinc/58/47/22/815584722.db2.gz UJUPZUORRNHYBT-APPZFPTMSA-N 2 0 283.763 -0.232 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CNC(C)=O ZINC001142807821 814736114 /nfs/dbraw/zinc/73/61/14/814736114.db2.gz OQUWQFCANRBYAI-UHFFFAOYSA-N 2 0 257.338 -0.814 20 0 CBADRP OC[C@H]1C[NH2+]C[C@@H]1Nc1nccc(C2CC[NH2+]CC2)n1 ZINC001159677766 815587013 /nfs/dbraw/zinc/58/70/13/815587013.db2.gz LXYHXSHHMDWOER-YPMHNXCESA-N 2 0 277.372 -0.064 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@@H]1Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC001159680555 815587953 /nfs/dbraw/zinc/58/79/53/815587953.db2.gz KCWZBLTUMNQXDD-AAEUAGOBSA-N 2 0 277.372 -0.517 20 0 CBADRP C[NH+]1CCN(CCC(=O)n2cnc(C[NH3+])cc2=N)CC1 ZINC001143236677 814764722 /nfs/dbraw/zinc/76/47/22/814764722.db2.gz PSDVDWYORKIFHX-UHFFFAOYSA-N 2 0 278.360 -0.901 20 0 CBADRP C[NH+]1CCC(C(=O)N(CC[NH3+])S(C)(=O)=O)CC1 ZINC001143305193 814769255 /nfs/dbraw/zinc/76/92/55/814769255.db2.gz PHXQUYPHDBJWIN-UHFFFAOYSA-N 2 0 263.363 -0.925 20 0 CBADRP CN(CC(=O)N1CCN(c2ncccc2N)CC1)C(N)=[NH2+] ZINC001144132311 814773353 /nfs/dbraw/zinc/77/33/53/814773353.db2.gz MLOGZHORWJPUES-UHFFFAOYSA-N 2 0 291.359 -0.862 20 0 CBADRP CN(CC(=O)NC1CCN(CCF)CC1)C(N)=[NH2+] ZINC001144141967 814773556 /nfs/dbraw/zinc/77/35/56/814773556.db2.gz FQQSPLGIEYTCPI-UHFFFAOYSA-N 2 0 259.329 -0.638 20 0 CBADRP CN(CC(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(N)=[NH2+] ZINC001144142448 814773565 /nfs/dbraw/zinc/77/35/65/814773565.db2.gz MKOBKBAWQWFICB-RTCCRHLQSA-N 2 0 267.377 -0.057 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)CN(C)C(N)=[NH2+])CC1 ZINC001144142654 814773714 /nfs/dbraw/zinc/77/37/14/814773714.db2.gz NDRMENVVNSGJRX-UHFFFAOYSA-N 2 0 271.365 -0.832 20 0 CBADRP CN(CC(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2)C(N)=[NH2+] ZINC001144143359 814773738 /nfs/dbraw/zinc/77/37/38/814773738.db2.gz OKYUALIYKTTZNX-LURJTMIESA-N 2 0 282.373 -0.689 20 0 CBADRP CN(CC1C[NH+](C)C1)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001146318915 814780267 /nfs/dbraw/zinc/78/02/67/814780267.db2.gz BLPLJBXBGLYGHF-CHWSQXEVSA-N 2 0 269.389 -0.148 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146339705 814837541 /nfs/dbraw/zinc/83/75/41/814837541.db2.gz MWZMRMPVWMQQCD-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCCC1)[NH2+]CC(N)=O ZINC001146341491 814837645 /nfs/dbraw/zinc/83/76/45/814837645.db2.gz YYZWINKCOMPABA-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001146595284 814841796 /nfs/dbraw/zinc/84/17/96/814841796.db2.gz YFEWQFUSQVUCRO-QWRGUYRKSA-N 2 0 272.393 -0.315 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]C[C@H](O)COC ZINC001146705950 814844320 /nfs/dbraw/zinc/84/43/20/814844320.db2.gz ZTPGPXWVGKFKTN-NSHDSACASA-N 2 0 261.366 -0.959 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001146711808 814845186 /nfs/dbraw/zinc/84/51/86/814845186.db2.gz YEWHNAORNRFYFG-JTQLQIEISA-N 2 0 258.366 -0.832 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001146719216 814845803 /nfs/dbraw/zinc/84/58/03/814845803.db2.gz LBKHMKBRWYRSJD-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001147359725 814891276 /nfs/dbraw/zinc/89/12/76/814891276.db2.gz UQCBJRKCLXNKTP-GFCCVEGCSA-N 2 0 284.404 -0.168 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147824395 814917418 /nfs/dbraw/zinc/91/74/18/814917418.db2.gz JGBFKYMNNCMZBS-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147826284 814917505 /nfs/dbraw/zinc/91/75/05/814917505.db2.gz UVFYJOCCELDYPD-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP Cc1ncc(C[NH2+]CCNC(=O)COCC[NH+](C)C)cn1 ZINC001147848344 814920176 /nfs/dbraw/zinc/92/01/76/814920176.db2.gz LGLNSPFMRQWQQT-UHFFFAOYSA-N 2 0 295.387 -0.431 20 0 CBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CCOCC(F)F ZINC001147848857 814921347 /nfs/dbraw/zinc/92/13/47/814921347.db2.gz XRFXJANJRZNTNZ-UHFFFAOYSA-N 2 0 297.346 -0.448 20 0 CBADRP CC[C@@H](C[NH2+]CCNC(=O)COCC[NH+](C)C)OC ZINC001147884153 814922176 /nfs/dbraw/zinc/92/21/76/814922176.db2.gz ALAGWTGPZFDAOH-LBPRGKRZSA-N 2 0 275.393 -0.305 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147885630 814922216 /nfs/dbraw/zinc/92/22/16/814922216.db2.gz OBCKKNAHIMJKNF-CYBMUJFWSA-N 2 0 287.404 -0.303 20 0 CBADRP Cn1cc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)cn1 ZINC001147878441 814922840 /nfs/dbraw/zinc/92/28/40/814922840.db2.gz YVYCWCYFSMDHEO-LBPRGKRZSA-N 2 0 279.388 -0.032 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CCn2cccn2)C1 ZINC001147885599 814922981 /nfs/dbraw/zinc/92/29/81/814922981.db2.gz NNIWJDMKODKDDN-CYBMUJFWSA-N 2 0 279.388 -0.069 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001147885461 814923145 /nfs/dbraw/zinc/92/31/45/814923145.db2.gz MJLBRLMKCCKLKQ-NEPJUHHUSA-N 2 0 282.388 -0.687 20 0 CBADRP CC[C@]([NH3+])(CO)Nc1ccc(N2CC[NH2+]CC2)nn1 ZINC001159743567 815591494 /nfs/dbraw/zinc/59/14/94/815591494.db2.gz IGJHOHTUIQPIAZ-GFCCVEGCSA-N 2 0 266.349 -0.645 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc2c(nn1)CC[NH2+]C2 ZINC001159755015 815593363 /nfs/dbraw/zinc/59/33/63/815593363.db2.gz GMQHGBIMSAJRSZ-ZYHUDNBSSA-N 2 0 291.355 -0.315 20 0 CBADRP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001159907628 815604679 /nfs/dbraw/zinc/60/46/79/815604679.db2.gz BYAZKHGGTJOLFN-ZDUSSCGKSA-N 2 0 296.415 -0.025 20 0 CBADRP CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@H]21 ZINC001160084411 815609850 /nfs/dbraw/zinc/60/98/50/815609850.db2.gz FGVIIFCKKKECRE-WHOHXGKFSA-N 2 0 282.388 -0.718 20 0 CBADRP C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160451521 815623453 /nfs/dbraw/zinc/62/34/53/815623453.db2.gz QBMAIPUSKFMTFI-QWRGUYRKSA-N 2 0 280.372 -0.793 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCN(C(N)=O)CC1 ZINC001160456880 815624786 /nfs/dbraw/zinc/62/47/86/815624786.db2.gz RTTSRRXQBKEMHI-LBPRGKRZSA-N 2 0 299.419 -0.295 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@]2(N)CCC[NH2+]C2)CC1 ZINC001160458707 815625031 /nfs/dbraw/zinc/62/50/31/815625031.db2.gz BHBSGMCDXIKPJB-CYBMUJFWSA-N 2 0 254.378 -0.475 20 0 CBADRP NC(=O)N1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160456488 815625690 /nfs/dbraw/zinc/62/56/90/815625690.db2.gz KOCIIFYJPHWJPI-LLVKDONJSA-N 2 0 295.387 -0.917 20 0 CBADRP CCN(CCC(N)=O)C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001160470885 815626285 /nfs/dbraw/zinc/62/62/85/815626285.db2.gz JQTMQQGGZGHHKS-NSHDSACASA-N 2 0 256.350 -0.963 20 0 CBADRP CCN(CCC(N)=O)C(=O)[C@H](CCCC[NH3+])[NH2+]C ZINC001160470791 815626930 /nfs/dbraw/zinc/62/69/30/815626930.db2.gz HJTVGSXUCLNHPE-JTQLQIEISA-N 2 0 258.366 -0.573 20 0 CBADRP N[C@@]1(C(=O)N2CC[NH+](C3CCOCC3)CC2)CCC[NH2+]C1 ZINC001160490700 815629338 /nfs/dbraw/zinc/62/93/38/815629338.db2.gz DKDWYAGRFIWWNL-HNNXBMFYSA-N 2 0 296.415 -0.610 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001160491259 815630185 /nfs/dbraw/zinc/63/01/85/815630185.db2.gz ZPFXSYZQQCUPNS-CYBMUJFWSA-N 3 0 284.404 -0.624 20 0 CBADRP CN(C)C(=O)CN(C)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160503990 815630917 /nfs/dbraw/zinc/63/09/17/815630917.db2.gz JJQFILKOVWTTST-NSHDSACASA-N 2 0 282.388 -0.593 20 0 CBADRP [NH3+]C1CCN(C(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)CC1 ZINC001160510902 815631648 /nfs/dbraw/zinc/63/16/48/815631648.db2.gz FTLBKRCTJOJAFJ-LLVKDONJSA-N 2 0 280.372 -0.948 20 0 CBADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001160539531 815634158 /nfs/dbraw/zinc/63/41/58/815634158.db2.gz WLCGMHNWAYGQML-FXPVBKGRSA-N 2 0 277.328 -0.850 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])COC(C)=O)CC1 ZINC001160538354 815634673 /nfs/dbraw/zinc/63/46/73/815634673.db2.gz WNNFYPMCUYTEKD-LBPRGKRZSA-N 2 0 271.361 -0.181 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@H]([NH3+])CCCNC(N)=O)CC1 ZINC001160537498 815634712 /nfs/dbraw/zinc/63/47/12/815634712.db2.gz MIUYTSOOGFBYTL-GFCCVEGCSA-N 2 0 299.419 -0.295 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001160537595 815634729 /nfs/dbraw/zinc/63/47/29/815634729.db2.gz NHLQVXLNUCJCFM-SWLSCSKDSA-N 2 0 280.416 -0.119 20 0 CBADRP O=C(N1CCCC12COC2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160542385 815635644 /nfs/dbraw/zinc/63/56/44/815635644.db2.gz VCTIBCKTYGSUKM-BXUZGUMPSA-N 2 0 265.357 -0.423 20 0 CBADRP CN(CC1(C)COC1)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160544703 815635744 /nfs/dbraw/zinc/63/57/44/815635744.db2.gz MIOJJDKZJFJLRZ-BXUZGUMPSA-N 2 0 267.373 -0.320 20 0 CBADRP Cn1cc2c(n1)CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C2 ZINC001160558847 815637387 /nfs/dbraw/zinc/63/73/87/815637387.db2.gz XGMXQQKHKZECQS-JTQLQIEISA-N 2 0 251.334 -0.629 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H](N)CC[NH3+] ZINC001160628614 815645594 /nfs/dbraw/zinc/64/55/94/815645594.db2.gz LGXJCPXLCUVCMU-ZDUSSCGKSA-N 3 0 287.452 -0.606 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001160640456 815648847 /nfs/dbraw/zinc/64/88/47/815648847.db2.gz CSXUQKXRMNYZAN-NEPJUHHUSA-N 2 0 298.387 -0.291 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CO[C@]3(C2)CCC[NH2+]CC3)CCO1 ZINC001160644123 815650037 /nfs/dbraw/zinc/65/00/37/815650037.db2.gz STHJCKYTYRHNAU-KCQAQPDRSA-N 2 0 297.399 -0.279 20 0 CBADRP N[C@@H](C[NH3+])c1ccc(C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC001160646046 815650407 /nfs/dbraw/zinc/65/04/07/815650407.db2.gz USCGRIMGIPIGJZ-STQMWFEESA-N 2 0 278.356 -0.555 20 0 CBADRP C[NH+](C)C1(C)CN(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001160644510 815650524 /nfs/dbraw/zinc/65/05/24/815650524.db2.gz FETBGTNDRLYDFL-MFKMUULPSA-N 2 0 252.362 -0.900 20 0 CBADRP C[C@H]1CC(=O)CCN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001160643068 815650732 /nfs/dbraw/zinc/65/07/32/815650732.db2.gz XBWDFQFPVRFAKR-JOYOIKCWSA-N 2 0 253.346 -0.107 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)C[C@@H]1F ZINC001160648873 815651410 /nfs/dbraw/zinc/65/14/10/815651410.db2.gz GDINTKJSZAILLN-XDQVBPFNSA-N 2 0 298.406 -0.042 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C[C@@H]1F ZINC001160648872 815651905 /nfs/dbraw/zinc/65/19/05/815651905.db2.gz GDINTKJSZAILLN-RFQIPJPRSA-N 2 0 298.406 -0.042 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[C@@H]1F ZINC001160650144 815652095 /nfs/dbraw/zinc/65/20/95/815652095.db2.gz RWBUKNAJRVOKOJ-TUAOUCFPSA-N 3 0 284.379 -0.242 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1)C1CCC(O)CC1 ZINC001160648328 815652262 /nfs/dbraw/zinc/65/22/62/815652262.db2.gz ALDXTEBZXQOPAX-KYKAPZLASA-N 2 0 273.352 -0.238 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)CNC2CC[NH2+]CC2)C[C@@H]1F ZINC001160647276 815652289 /nfs/dbraw/zinc/65/22/89/815652289.db2.gz DYXFMHTZRVOLJH-WDEREUQCSA-N 2 0 258.341 -0.774 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CO[C@]3(C2)CCC[NH2+]CC3)C[C@H]1O ZINC001160652874 815653136 /nfs/dbraw/zinc/65/31/36/815653136.db2.gz PEEFWHKHLFPCSB-KYEXWDHISA-N 2 0 297.399 -0.544 20 0 CBADRP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160653122 815653365 /nfs/dbraw/zinc/65/33/65/815653365.db2.gz VFPLGMXQVZHHDR-GWOFURMSSA-N 2 0 273.377 -0.562 20 0 CBADRP O=C(N1CCC(=O)C(F)(F)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160664204 815653991 /nfs/dbraw/zinc/65/39/91/815653991.db2.gz PBHHBZGBUIITKK-BXKDBHETSA-N 2 0 287.310 -0.378 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C[C@H](O)C[NH3+])CC1 ZINC001160669515 815655352 /nfs/dbraw/zinc/65/53/52/815655352.db2.gz HFNSIHTXIOPGEU-LBPRGKRZSA-N 2 0 285.388 -0.591 20 0 CBADRP CN(Cc1ccon1)C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001160688536 815656762 /nfs/dbraw/zinc/65/67/62/815656762.db2.gz QFQVNEBMTKPWPW-LLVKDONJSA-N 2 0 252.318 -0.040 20 0 CBADRP CN(Cc1ccon1)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160689458 815657069 /nfs/dbraw/zinc/65/70/69/815657069.db2.gz XAWFDMXQNSOCGU-ZWNOBZJWSA-N 2 0 264.329 -0.168 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)CNC1CC[NH2+]CC1 ZINC001160688555 815657122 /nfs/dbraw/zinc/65/71/22/815657122.db2.gz QGLYPHFSINMDIC-UHFFFAOYSA-N 2 0 268.405 -0.118 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160687844 815657494 /nfs/dbraw/zinc/65/74/94/815657494.db2.gz JKGXQLLBQKZBJS-UKRRQHHQSA-N 3 0 280.416 -0.260 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001160687267 815657818 /nfs/dbraw/zinc/65/78/18/815657818.db2.gz BDCHKRZDZWNZMX-LBPRGKRZSA-N 2 0 265.361 -0.166 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001160694751 815658424 /nfs/dbraw/zinc/65/84/24/815658424.db2.gz DOAJBJCSLKLNNM-ZYHUDNBSSA-N 2 0 265.361 -0.263 20 0 CBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001160694747 815658832 /nfs/dbraw/zinc/65/88/32/815658832.db2.gz DOAJBJCSLKLNNM-JQWIXIFHSA-N 2 0 265.361 -0.263 20 0 CBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001160694745 815659091 /nfs/dbraw/zinc/65/90/91/815659091.db2.gz DOAJBJCSLKLNNM-CMPLNLGQSA-N 2 0 265.361 -0.263 20 0 CBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160698465 815660068 /nfs/dbraw/zinc/66/00/68/815660068.db2.gz KCCJLRHSQMUGBM-QWRGUYRKSA-N 3 0 274.434 -0.536 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)[C@@]34CC[C@@H](N3)[C@H]([NH3+])C4)C[C@H]2C1 ZINC001160703834 815660120 /nfs/dbraw/zinc/66/01/20/815660120.db2.gz FMCLDSGBRLCDBQ-OJROKELRSA-N 3 0 264.373 -0.772 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CC[NH2+]C[C@H]4O3)C[C@H]2C1 ZINC001160703365 815660168 /nfs/dbraw/zinc/66/01/68/815660168.db2.gz CPCZDVAGTUQOKF-PDWCTOEPSA-N 2 0 279.384 -0.227 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)[C@]3(N)CCC[NH2+]C3)C[C@H]2C1 ZINC001160703349 815660290 /nfs/dbraw/zinc/66/02/90/815660290.db2.gz BZUWTYWWVKDPMH-LOWVWBTDSA-N 2 0 252.362 -0.913 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160698464 815660407 /nfs/dbraw/zinc/66/04/07/815660407.db2.gz KCCJLRHSQMUGBM-MNOVXSKESA-N 3 0 274.434 -0.536 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC001160705790 815661922 /nfs/dbraw/zinc/66/19/22/815661922.db2.gz RWKXZRXXPXMKLK-YUMQZZPRSA-N 2 0 269.267 -0.158 20 0 CBADRP O=C(N1CC[NH+]2CCC1CC2)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001160725531 815664926 /nfs/dbraw/zinc/66/49/26/815664926.db2.gz BUJHPSYYMVADAC-SMDDNHRTSA-N 2 0 264.373 -0.756 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(n2ccnc2)CC1 ZINC001160726177 815665709 /nfs/dbraw/zinc/66/57/09/815665709.db2.gz KFJHMUPTNQXDJH-CYBMUJFWSA-N 2 0 289.383 -0.144 20 0 CBADRP CCN(CC(C)(C)O)C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001160755659 815667334 /nfs/dbraw/zinc/66/73/34/815667334.db2.gz NKSSJUPZGDCTLZ-LLVKDONJSA-N 2 0 257.378 -0.067 20 0 CBADRP C[C@@H]1CO[C@@H]2CN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C[C@H]12 ZINC001160756947 815668145 /nfs/dbraw/zinc/66/81/45/815668145.db2.gz XKMQAWNZHMBPFU-FMKGYKFTSA-N 2 0 296.415 -0.770 20 0 CBADRP C[C@@H]1CO[C@@H]2CN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C[C@H]12 ZINC001160756948 815668363 /nfs/dbraw/zinc/66/83/63/815668363.db2.gz XKMQAWNZHMBPFU-RUZUBIRVSA-N 2 0 296.415 -0.770 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCc2nccn2CC1 ZINC001160759846 815669066 /nfs/dbraw/zinc/66/90/66/815669066.db2.gz AZIHWUILZRWYTD-NSHDSACASA-N 2 0 265.361 -0.276 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(C[C@@H](F)CO2)CC1 ZINC001160786763 815671855 /nfs/dbraw/zinc/67/18/55/815671855.db2.gz IBLLWGFJIXYECC-NEPJUHHUSA-N 2 0 297.374 -0.085 20 0 CBADRP COC(=O)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]([NH3+])CCC[NH3+])C2 ZINC001160819723 815672789 /nfs/dbraw/zinc/67/27/89/815672789.db2.gz LJFZRIBOAUMZHY-BJDJZHNGSA-N 2 0 283.372 -0.147 20 0 CBADRP CCOC(=O)[C@]12CN(C(=O)C[NH2+]C(C)C)C[C@H]1C[NH2+]CC2 ZINC001160806211 815673413 /nfs/dbraw/zinc/67/34/13/815673413.db2.gz MXKSPSFMOCAPMF-IUODEOHRSA-N 2 0 297.399 -0.014 20 0 CBADRP CCOC(=O)[C@]12CN(C(=O)[C@H](C)[NH+](C)C)C[C@H]1C[NH2+]CC2 ZINC001160811302 815673420 /nfs/dbraw/zinc/67/34/20/815673420.db2.gz NCUCXGSDJCMACC-YWPYICTPSA-N 2 0 297.399 -0.062 20 0 CBADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCn2nncc2C1 ZINC001160834000 815675975 /nfs/dbraw/zinc/67/59/75/815675975.db2.gz WXBZBGRADQSAQN-GFCCVEGCSA-N 2 0 290.371 -0.506 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC001160837253 815676049 /nfs/dbraw/zinc/67/60/49/815676049.db2.gz GQOPZEKQCRUPEG-NEPJUHHUSA-N 2 0 255.362 -0.083 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCn2nncc2C1 ZINC001160834173 815676092 /nfs/dbraw/zinc/67/60/92/815676092.db2.gz ZPVZOXGBRLWTER-JTQLQIEISA-N 2 0 266.349 -0.533 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCOC[C@H]1C[NH+](C)C ZINC001160838822 815676238 /nfs/dbraw/zinc/67/62/38/815676238.db2.gz ORJRWSBLLROPAE-OLZOCXBDSA-N 3 0 286.420 -0.508 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001160840669 815677448 /nfs/dbraw/zinc/67/74/48/815677448.db2.gz YWYGILAQZRPAHH-YIOUJQMASA-N 2 0 299.415 -0.346 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001160840835 815677856 /nfs/dbraw/zinc/67/78/56/815677856.db2.gz ZVCGYIKCHDOMGB-QWHCGFSZSA-N 3 0 284.404 -0.898 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001160883872 815685794 /nfs/dbraw/zinc/68/57/94/815685794.db2.gz XHMUIXKWOZCEEP-LLVKDONJSA-N 2 0 282.392 -0.249 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC(=O)N(C)C[C@@H]1C ZINC001160941314 815690032 /nfs/dbraw/zinc/69/00/32/815690032.db2.gz LDBMBFYJIUBSKK-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H]1CN(C)C(=O)CN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160941939 815690290 /nfs/dbraw/zinc/69/02/90/815690290.db2.gz PRSKJOVYUFXRIY-UWVGGRQHSA-N 2 0 256.350 -0.868 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160967227 815691815 /nfs/dbraw/zinc/69/18/15/815691815.db2.gz LNVXHRBSUHCCHJ-SCZZXKLOSA-N 2 0 287.314 -0.515 20 0 CBADRP NC1(C(=O)N2C[C@@H]([NH3+])CC(F)(F)C2)CC[NH2+]CC1 ZINC001160971338 815692390 /nfs/dbraw/zinc/69/23/90/815692390.db2.gz FUAUIUXIVPPNGZ-QMMMGPOBSA-N 2 0 262.304 -0.738 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)CN2CC[NH2+]CC2)CC(F)(F)C1 ZINC001160970777 815692545 /nfs/dbraw/zinc/69/25/45/815692545.db2.gz BQICQRFBTQNORX-VIFPVBQESA-N 2 0 262.304 -0.914 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)CC(F)(F)C1 ZINC001160969279 815692567 /nfs/dbraw/zinc/69/25/67/815692567.db2.gz ZHWGNYGJMFUYDM-HOTUBEGUSA-N 2 0 274.315 -0.867 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999461 815692739 /nfs/dbraw/zinc/69/27/39/815692739.db2.gz FAYOIRWAPHWBPI-JHJVBQTASA-N 2 0 281.400 -0.053 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160972657 815692797 /nfs/dbraw/zinc/69/27/97/815692797.db2.gz RNIDGHYCKONSCZ-KEJSXXJDSA-N 2 0 283.344 -0.723 20 0 CBADRP [NH3+][C@H](C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1)C1CC[NH2+]CC1 ZINC001160970679 815693141 /nfs/dbraw/zinc/69/31/41/815693141.db2.gz AFZVHMGQCJZTPC-UWVGGRQHSA-N 3 0 276.331 -0.492 20 0 CBADRP [NH3+][C@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CC(F)(F)C1 ZINC001160974104 815693285 /nfs/dbraw/zinc/69/32/85/815693285.db2.gz YJDWZHDKNQYSFP-BDAKNGLRSA-N 2 0 263.288 -0.440 20 0 CBADRP [NH3+][C@@H]1C[C@]2(C(=O)N3C[C@H]([NH3+])CC(F)(F)C3)CC[C@H]1N2 ZINC001160968661 815693327 /nfs/dbraw/zinc/69/33/27/815693327.db2.gz UITQYTBOJGXASI-CDLYGTGVSA-N 2 0 274.315 -0.597 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160970716 815693467 /nfs/dbraw/zinc/69/34/67/815693467.db2.gz ATJDISQMOGVTIN-IUCAKERBSA-N 3 0 264.320 -0.362 20 0 CBADRP O=C(C1CC[NH2+]CC1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001246 815693954 /nfs/dbraw/zinc/69/39/54/815693954.db2.gz XIPRFMJHGNPWCU-GFCCVEGCSA-N 2 0 267.373 -0.299 20 0 CBADRP O=C([C@@H]1C[C@@H](F)CC[NH2+]1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001374 815694823 /nfs/dbraw/zinc/69/48/23/815694823.db2.gz YIYUEFQVKPDVRD-SDDRHHMPSA-N 2 0 285.363 -0.208 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000273 815694956 /nfs/dbraw/zinc/69/49/56/815694956.db2.gz QQROZGUPYBSEKI-CYBMUJFWSA-N 2 0 296.415 -0.957 20 0 CBADRP [NH3+]C1(C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)CCCC1 ZINC001161001688 815695117 /nfs/dbraw/zinc/69/51/17/815695117.db2.gz ZPEOCAAFAZMSNT-LLVKDONJSA-N 2 0 267.373 -0.027 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[C@]3(C2)C[NH2+]CCO3)CC[NH2+]1 ZINC001161016375 815696136 /nfs/dbraw/zinc/69/61/36/815696136.db2.gz YUOFEVZNIHBMTB-BZPMIXESSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC[NH2+]1 ZINC001161015429 815696349 /nfs/dbraw/zinc/69/63/49/815696349.db2.gz BWBPKMABOKQIFC-NEPJUHHUSA-N 3 0 266.389 -0.319 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+]2CCC(C(N)=O)CC2)CC[NH2+]1 ZINC001161015448 815696664 /nfs/dbraw/zinc/69/66/64/815696664.db2.gz CKWHFPHDRIMIQQ-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@@H]3CCO[C@H]32)CC[NH2+]1 ZINC001161020628 815698229 /nfs/dbraw/zinc/69/82/29/815698229.db2.gz UIQLPTKTFALJRR-WRWGMCAJSA-N 2 0 253.346 -0.569 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@@H]3CCO[C@@H]32)CC[NH2+]1 ZINC001161020627 815698281 /nfs/dbraw/zinc/69/82/81/815698281.db2.gz UIQLPTKTFALJRR-KXNHARMFSA-N 2 0 253.346 -0.569 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+][C@H](C)C1 ZINC001161019565 815698528 /nfs/dbraw/zinc/69/85/28/815698528.db2.gz GPJJJEGNWYLCIW-UMNHJUIQSA-N 2 0 270.377 -0.704 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161040482 815702097 /nfs/dbraw/zinc/70/20/97/815702097.db2.gz AMWMVFCGWMZLOR-STQMWFEESA-N 2 0 287.404 -0.426 20 0 CBADRP CC(=O)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001161039226 815701992 /nfs/dbraw/zinc/70/19/92/815701992.db2.gz NZYUWCASXVXSBB-ZJUUUORDSA-N 2 0 259.375 -0.557 20 0 CBADRP CC(=O)[C@H]1CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161037961 815702089 /nfs/dbraw/zinc/70/20/89/815702089.db2.gz CEJFHZQSCJGEHL-RYUDHWBXSA-N 2 0 253.346 -0.249 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161040481 815702216 /nfs/dbraw/zinc/70/22/16/815702216.db2.gz AMWMVFCGWMZLOR-QWHCGFSZSA-N 2 0 287.404 -0.426 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001161042136 815703291 /nfs/dbraw/zinc/70/32/91/815703291.db2.gz OVRWXODLZYFZIS-ZDUSSCGKSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161043010 815703571 /nfs/dbraw/zinc/70/35/71/815703571.db2.gz WGFVGIOGGAJZHH-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161043007 815704101 /nfs/dbraw/zinc/70/41/01/815704101.db2.gz WGFVGIOGGAJZHH-NEPJUHHUSA-N 2 0 257.378 -0.053 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCOCCO ZINC001161042695 815704113 /nfs/dbraw/zinc/70/41/13/815704113.db2.gz SEGCHPCKOYYNMF-CYBMUJFWSA-N 2 0 287.404 -0.425 20 0 CBADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC001161049909 815704226 /nfs/dbraw/zinc/70/42/26/815704226.db2.gz JHLHXCGAKBXPMA-QJPTWQEYSA-N 2 0 255.362 -0.350 20 0 CBADRP CN(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161057849 815705182 /nfs/dbraw/zinc/70/51/82/815705182.db2.gz IAKPVJAGKLTUTQ-NWBUJAPZSA-N 2 0 266.389 -0.335 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)[C@H]1CCCC[C@H]1[NH3+] ZINC001161060230 815705193 /nfs/dbraw/zinc/70/51/93/815705193.db2.gz ALDLXHYGTODNTE-UYLUIQCMSA-N 2 0 275.418 -0.189 20 0 CBADRP CN(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161057848 815705232 /nfs/dbraw/zinc/70/52/32/815705232.db2.gz IAKPVJAGKLTUTQ-JZRPKSSGSA-N 2 0 266.389 -0.335 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161060231 815706249 /nfs/dbraw/zinc/70/62/49/815706249.db2.gz ALDLXHYGTODNTE-XJNHDZKPSA-N 2 0 275.418 -0.189 20 0 CBADRP CN(C(=O)C[C@H]1COCC[NH2+]1)C1(C)CC[NH2+]CC1 ZINC001161073683 815706997 /nfs/dbraw/zinc/70/69/97/815706997.db2.gz QQQBRSIMMNJPEQ-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N(C)C1(C)CC[NH2+]CC1 ZINC001161067594 815707244 /nfs/dbraw/zinc/70/72/44/815707244.db2.gz JYEVUKTYJMSXCE-JTQLQIEISA-N 2 0 257.334 -0.523 20 0 CBADRP CN(C(=O)[C@H]([NH3+])Cc1cnc[nH]1)C1(C)CC[NH2+]CC1 ZINC001161068917 815707372 /nfs/dbraw/zinc/70/73/72/815707372.db2.gz XYJKOJNNKVWNIZ-LLVKDONJSA-N 2 0 265.361 -0.120 20 0 CBADRP CN(C(=O)C1(N)CC[NH2+]CC1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161064958 815707605 /nfs/dbraw/zinc/70/76/05/815707605.db2.gz UGRAJCKQLWISQT-QWRGUYRKSA-N 2 0 254.378 -0.204 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)CNC3CC[NH2+]CC3)C[C@@H]21 ZINC001161081242 815708670 /nfs/dbraw/zinc/70/86/70/815708670.db2.gz HYRSRIUNPUSBMU-OCCSQVGLSA-N 2 0 280.416 -0.119 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@]3(N)CCC[NH2+]C3)C[C@@H]21 ZINC001161081134 815708708 /nfs/dbraw/zinc/70/87/08/815708708.db2.gz FSLCARNIYHQSLC-DYEKYZERSA-N 2 0 266.389 -0.380 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@H]21 ZINC001161081145 815708990 /nfs/dbraw/zinc/70/89/90/815708990.db2.gz FWIPDHPDIRJVLP-QWHCGFSZSA-N 2 0 266.389 -0.556 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CCN4)C[C@@H]21 ZINC001161081446 815709070 /nfs/dbraw/zinc/70/90/70/815709070.db2.gz KHXZYZJDSHXFKM-CXTNEJHOSA-N 2 0 278.400 -0.510 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@@H]21 ZINC001161083193 815711095 /nfs/dbraw/zinc/71/10/95/815711095.db2.gz RCKZHNCCSYYEPG-WOPDTQHZSA-N 3 0 254.378 -0.395 20 0 CBADRP [NH3+]CCN(CCNc1cc2c(nn1)CC[NH2+]C2)N(O)N=O ZINC001161092070 815712876 /nfs/dbraw/zinc/71/28/76/815712876.db2.gz KGXRWDROLZTVRA-UHFFFAOYSA-N 2 0 296.335 -0.918 20 0 CBADRP CCOC(=O)[C@@H]1COCCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001161093317 815714128 /nfs/dbraw/zinc/71/41/28/815714128.db2.gz LCBOKWZWGVTBHG-RYUDHWBXSA-N 2 0 299.371 -0.896 20 0 CBADRP Cc1cnc(NCCN(CC[NH3+])N(O)N=O)c(C[NH3+])c1 ZINC001161092595 815714485 /nfs/dbraw/zinc/71/44/85/815714485.db2.gz VQRPLMYRDKLDNM-UHFFFAOYSA-N 2 0 283.336 -0.191 20 0 CBADRP [NH3+]CCN(CCNc1cc(C2C[NH2+]C2)ncn1)N(O)N=O ZINC001161095426 815714657 /nfs/dbraw/zinc/71/46/57/815714657.db2.gz WNWVGQZSBFBALR-UHFFFAOYSA-N 2 0 296.335 -0.876 20 0 CBADRP CC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161131704 815718629 /nfs/dbraw/zinc/71/86/29/815718629.db2.gz SCQHZOLNNVEILH-STQMWFEESA-N 2 0 284.404 -0.088 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2[nH]ccc2C1 ZINC001161134799 815719187 /nfs/dbraw/zinc/71/91/87/815719187.db2.gz OJFZKLGCGFRYSV-ZDUSSCGKSA-N 2 0 291.399 -0.350 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001161157406 815723783 /nfs/dbraw/zinc/72/37/83/815723783.db2.gz DAFXRXUZDKTBCG-UWVGGRQHSA-N 2 0 257.334 -0.536 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)C[C@H]2C1 ZINC001161174719 815725280 /nfs/dbraw/zinc/72/52/80/815725280.db2.gz DAKOCCCANANCRC-YVECIDJPSA-N 2 0 267.373 -0.633 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3[NH2+]CC[C@H]3O)C[C@H]2C1 ZINC001161176392 815726439 /nfs/dbraw/zinc/72/64/39/815726439.db2.gz TZUHTJQEJDBNCX-XQHKEYJVSA-N 2 0 267.373 -0.491 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)C[C@H](O)C[NH3+])C[C@H]2C1 ZINC001161176448 815726567 /nfs/dbraw/zinc/72/65/67/815726567.db2.gz UYZRSGSQYFWKCE-TUAOUCFPSA-N 2 0 255.362 -0.504 20 0 CBADRP O=C([C@H]1C[NH2+]CCN1)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161208900 815727818 /nfs/dbraw/zinc/72/78/18/815727818.db2.gz ZKQSGVBZNVZUCZ-CQSZACIVSA-N 2 0 280.416 -0.214 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161210633 815727913 /nfs/dbraw/zinc/72/79/13/815727913.db2.gz WOVWRNAUMDIYHX-KBPBESRZSA-N 2 0 280.416 -0.229 20 0 CBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001161231651 815729718 /nfs/dbraw/zinc/72/97/18/815729718.db2.gz NGVNSPLZXCLLBR-FSZOTQKASA-N 2 0 269.345 -0.654 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC001161234711 815730154 /nfs/dbraw/zinc/73/01/54/815730154.db2.gz GRMPXIGNRDCQJA-QWRGUYRKSA-N 2 0 266.349 -0.492 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC001161234708 815730163 /nfs/dbraw/zinc/73/01/63/815730163.db2.gz GRMPXIGNRDCQJA-GHMZBOCLSA-N 2 0 266.349 -0.492 20 0 CBADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C1 ZINC001161245384 815733440 /nfs/dbraw/zinc/73/34/40/815733440.db2.gz DCSQXKMVSHAXJS-GZBFAFLISA-N 2 0 298.406 -0.040 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC(N)=O ZINC001161251349 815733987 /nfs/dbraw/zinc/73/39/87/815733987.db2.gz PRATZUWCPGOSNN-UHFFFAOYSA-N 2 0 258.366 -0.702 20 0 CBADRP [NH3+]C[C@@]1(F)CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001161239844 815734104 /nfs/dbraw/zinc/73/41/04/815734104.db2.gz SGJBCPDVYXFRFN-KGYLQXTDSA-N 3 0 270.352 -0.915 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC[C@H](Oc2ncccn2)C1 ZINC001161295548 815737229 /nfs/dbraw/zinc/73/72/29/815737229.db2.gz LIRFYEROUZIECQ-RYUDHWBXSA-N 2 0 293.371 -0.087 20 0 CBADRP CCN(C(=O)[C@@H]([NH3+])Cn1cccn1)[C@H]1CCC[NH2+]C1 ZINC001161328637 815739344 /nfs/dbraw/zinc/73/93/44/815739344.db2.gz DNYDAQWUSVUXQY-RYUDHWBXSA-N 2 0 265.361 -0.189 20 0 CBADRP [NH3+]CCNCC(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161321429 815739786 /nfs/dbraw/zinc/73/97/86/815739786.db2.gz DZCBPDDAUMRJOJ-JOCQHMNTSA-N 2 0 298.431 -0.188 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161318380 815739992 /nfs/dbraw/zinc/73/99/92/815739992.db2.gz XLUFDIUVEHIJOM-OBJOEFQTSA-N 2 0 299.415 -0.026 20 0 CBADRP CCN(C(=O)CN1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001161330318 815741014 /nfs/dbraw/zinc/74/10/14/815741014.db2.gz LTVDJKIBWUQDPT-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP CCN(C(=O)C1(N)CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001161331278 815741146 /nfs/dbraw/zinc/74/11/46/815741146.db2.gz VYVKQLHKWAPWQC-LLVKDONJSA-N 2 0 254.378 -0.332 20 0 CBADRP CCN(C(=O)COCCOCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161331225 815741193 /nfs/dbraw/zinc/74/11/93/815741193.db2.gz USVPGHKHMRGLFW-LBPRGKRZSA-N 2 0 273.377 -0.421 20 0 CBADRP CCN(C(=O)[C@@]12C[NH2+][C@@H](CO1)C2)[C@H]1CCC[NH2+]C1 ZINC001161333753 815743464 /nfs/dbraw/zinc/74/34/64/815743464.db2.gz XDGOVUMVXJYFMB-NTZNESFSSA-N 2 0 253.346 -0.282 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N(CC)[C@@H]1CCC[NH2+]C1 ZINC001161338308 815744470 /nfs/dbraw/zinc/74/44/70/815744470.db2.gz DJQWTZBKMHBWEE-JHJVBQTASA-N 2 0 297.399 -0.014 20 0 CBADRP CCN(C(=O)C[C@H]1COCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161337857 815744757 /nfs/dbraw/zinc/74/47/57/815744757.db2.gz APRPQFLKACNLJA-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161339592 815746019 /nfs/dbraw/zinc/74/60/19/815746019.db2.gz LWQDVDDYVJPXPG-MNOVXSKESA-N 3 0 274.434 -0.394 20 0 CBADRP CCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)[C@@H]1CCC[NH2+]C1 ZINC001161340652 815746302 /nfs/dbraw/zinc/74/63/02/815746302.db2.gz RVVRWDAXSQIRJZ-DDBGAENHSA-N 2 0 275.418 -0.317 20 0 CBADRP CC(C)N(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)[C@H]1CC[NH2+]C1 ZINC001161353737 815747000 /nfs/dbraw/zinc/74/70/00/815747000.db2.gz YPDYNRYLBVTEQC-KBPBESRZSA-N 3 0 297.447 -0.664 20 0 CBADRP C[NH2+]CCC(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161377974 815748071 /nfs/dbraw/zinc/74/80/71/815748071.db2.gz JVJBELWBLDYSEM-LBPRGKRZSA-N 2 0 254.378 -0.380 20 0 CBADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)C3([NH3+])CC3)C2)CC1 ZINC001161377607 815748101 /nfs/dbraw/zinc/74/81/01/815748101.db2.gz IWIBHYJYRMMVNZ-LLVKDONJSA-N 2 0 252.362 -0.498 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161377202 815748172 /nfs/dbraw/zinc/74/81/72/815748172.db2.gz GBNLBKYUGOBJEH-MNOVXSKESA-N 2 0 290.358 -0.007 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161378896 815748823 /nfs/dbraw/zinc/74/88/23/815748823.db2.gz NXTAYUSHXCVZMF-CHWSQXEVSA-N 3 0 283.420 -0.923 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161378884 815749051 /nfs/dbraw/zinc/74/90/51/815749051.db2.gz AKNHQTJFJFNFCQ-STQMWFEESA-N 3 0 284.404 -0.624 20 0 CBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@@]34CC[C@@H](N3)[C@H]([NH3+])C4)C[C@H]12 ZINC001161412436 815751185 /nfs/dbraw/zinc/75/11/85/815751185.db2.gz KGSFZIPCGGQUNC-NSPKLCQLSA-N 2 0 264.373 -0.596 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1 ZINC001161412044 815751207 /nfs/dbraw/zinc/75/12/07/815751207.db2.gz FKLXWOSKLZKZHL-KLHWPWHYSA-N 2 0 263.345 -0.525 20 0 CBADRP O=C([C@H]1CO[C@]2(C1)CCC[NH2+]CC2)N1CC[NH2+]C1 ZINC001161416926 815754206 /nfs/dbraw/zinc/75/42/06/815754206.db2.gz NCBZCLTWVUAMKU-DGCLKSJQSA-N 2 0 253.346 -0.076 20 0 CBADRP O=C([C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2)N1CC[NH2+]C1 ZINC001161416925 815754164 /nfs/dbraw/zinc/75/41/64/815754164.db2.gz NCBZCLTWVUAMKU-AAEUAGOBSA-N 2 0 253.346 -0.076 20 0 CBADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C1 ZINC001161419057 815754301 /nfs/dbraw/zinc/75/43/01/815754301.db2.gz WIJCARGLMSOOGG-SECBINFHSA-N 2 0 257.334 -0.175 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161423697 815754779 /nfs/dbraw/zinc/75/47/79/815754779.db2.gz KLSMCNFFTLUPRV-GVXVVHGQSA-N 2 0 282.388 -0.608 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC001161447893 815755343 /nfs/dbraw/zinc/75/53/43/815755343.db2.gz ZUTKNMLNPXIKAM-IGQOVBAYSA-N 3 0 280.416 -0.406 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161449901 815755492 /nfs/dbraw/zinc/75/54/92/815755492.db2.gz VCNRSHKMEDCPPA-KGLIPLIRSA-N 3 0 297.447 -0.968 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161447157 815755536 /nfs/dbraw/zinc/75/55/36/815755536.db2.gz VTSWJPPBFXDYSU-NWDGAFQWSA-N 3 0 256.394 -0.264 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@H]1COCCN1)[C@@H]1CCC[NH2+]C1 ZINC001161444879 815755885 /nfs/dbraw/zinc/75/58/85/815755885.db2.gz LQVANEWELMJOAS-OLZOCXBDSA-N 2 0 284.404 -0.883 20 0 CBADRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001161489421 815760067 /nfs/dbraw/zinc/76/00/67/815760067.db2.gz MRAWNSODRCFATG-VHDGCEQUSA-N 3 0 280.416 -0.227 20 0 CBADRP CN1C(=O)CC[C@@H]2CN(C(=O)[C@H]([NH3+])CCC[NH3+])CC[C@H]21 ZINC001161484277 815760349 /nfs/dbraw/zinc/76/03/49/815760349.db2.gz VCVSPUQPMCOONC-IJLUTSLNSA-N 2 0 282.388 -0.478 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)C[C@@H]1[NH3+] ZINC001161492711 815761278 /nfs/dbraw/zinc/76/12/78/815761278.db2.gz WACYPQGNZWBRTC-XDQVBPFNSA-N 2 0 296.415 -0.755 20 0 CBADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161510992 815764367 /nfs/dbraw/zinc/76/43/67/815764367.db2.gz UMEGZNTUFRDLNX-ZJUUUORDSA-N 2 0 255.362 -0.064 20 0 CBADRP CC(C)C[C@@](C)([NH3+])C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161507779 815764792 /nfs/dbraw/zinc/76/47/92/815764792.db2.gz ASTXFBRTNXVGGB-ZYHUDNBSSA-N 2 0 255.362 -0.064 20 0 CBADRP [NH3+][C@H](Cc1ccccc1F)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161509358 815764901 /nfs/dbraw/zinc/76/49/01/815764901.db2.gz JEVBVSNXSVPAMY-OLZOCXBDSA-N 2 0 293.342 -0.118 20 0 CBADRP CC1(C)C[NH2+][C@](C)(C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)C1 ZINC001161507914 815765283 /nfs/dbraw/zinc/76/52/83/815765283.db2.gz BXCIWJUONSSJEF-MFKMUULPSA-N 2 0 267.373 -0.049 20 0 CBADRP O=C([C@H]1CC[C@H]2[NH2+]CC[C@H]2O1)N1CC[NH2+]C2(CC2)C1 ZINC001161544908 815769579 /nfs/dbraw/zinc/76/95/79/815769579.db2.gz IUJGTACIIOJCOE-IJLUTSLNSA-N 2 0 265.357 -0.140 20 0 CBADRP O=C(C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)N1CC[NH2+]C2(CC2)C1 ZINC001161544583 815770009 /nfs/dbraw/zinc/77/00/09/815770009.db2.gz AVNWAGQLZYZQDS-UPJWGTAASA-N 2 0 279.384 -0.035 20 0 CBADRP COCCOC1CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161572516 815773259 /nfs/dbraw/zinc/77/32/59/815773259.db2.gz RISDCIOYDICLIP-LBPRGKRZSA-N 2 0 271.361 -0.813 20 0 CBADRP [NH3+]C[C@H](O)C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161585282 815773547 /nfs/dbraw/zinc/77/35/47/815773547.db2.gz ZOUMVAWLXOLIOL-AWEZNQCLSA-N 2 0 289.379 -0.030 20 0 CBADRP C[C@@H](CN1CC[NH2+]CC1)Nc1ncnc2c1C[NH2+]CC2 ZINC001162090452 815800880 /nfs/dbraw/zinc/80/08/80/815800880.db2.gz NVEXGSSDZFSILS-NSHDSACASA-N 2 0 276.388 -0.172 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])c1ncccc1N1CC[NH2+]CC1 ZINC001162124431 815803779 /nfs/dbraw/zinc/80/37/79/815803779.db2.gz ZACYHUOQHNWXKJ-UHFFFAOYSA-N 2 0 299.400 -0.784 20 0 CBADRP C[NH+](C)Cc1cccc(N(CC[NH3+])S(C)(=O)=O)n1 ZINC001162127250 815805001 /nfs/dbraw/zinc/80/50/01/815805001.db2.gz SNKPCDGHLQWWKC-UHFFFAOYSA-N 2 0 272.374 -0.132 20 0 CBADRP NC(=O)c1ccnc(NCCC[NH2+]CCCC[NH3+])n1 ZINC001162289918 815810336 /nfs/dbraw/zinc/81/03/36/815810336.db2.gz FDCSGDHRWKZPIT-UHFFFAOYSA-N 2 0 266.349 -0.294 20 0 CBADRP [NH3+]Cc1ccnn1-c1nccnc1N1CC[NH2+]CC1 ZINC001162585288 815835001 /nfs/dbraw/zinc/83/50/01/815835001.db2.gz BORPURSJCPUHGA-UHFFFAOYSA-N 2 0 259.317 -0.469 20 0 CBADRP [NH3+]Cc1ccnn1-c1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001162593309 815836522 /nfs/dbraw/zinc/83/65/22/815836522.db2.gz GWZBWSJGTOKHPP-LLVKDONJSA-N 2 0 260.301 -0.138 20 0 CBADRP COCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162851950 815845701 /nfs/dbraw/zinc/84/57/01/815845701.db2.gz UIWOVIWINQCHRU-JVWICGRDSA-N 2 0 297.399 -0.408 20 0 CBADRP Cc1nc(N[C@@H]2COC[C@@H]2[NH3+])cc(N2CCOCC2)[nH+]1 ZINC001162913873 815846975 /nfs/dbraw/zinc/84/69/75/815846975.db2.gz MIJAOXMYZINNJA-WDEREUQCSA-N 2 0 279.344 -0.240 20 0 CBADRP [NH3+][C@H]1COC[C@H]1Nc1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001162921169 815848431 /nfs/dbraw/zinc/84/84/31/815848431.db2.gz NCBQQDDJWYOPGH-GARJFASQSA-N 2 0 265.317 -0.645 20 0 CBADRP [NH3+][C@H]1COC[C@H]1Nc1ccc(OC2C[NH2+]C2)cn1 ZINC001162926430 815849613 /nfs/dbraw/zinc/84/96/13/815849613.db2.gz SLUPNHIGGNMAQN-WDEREUQCSA-N 2 0 250.302 -0.430 20 0 CBADRP CN1CCOc2c1cn[nH+]c2NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001163152496 815861860 /nfs/dbraw/zinc/86/18/60/815861860.db2.gz DRWXWBHWFFOGJL-HZMBPMFUSA-N 2 0 291.355 -0.047 20 0 CBADRP [NH3+]Cc1ncc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)cn1 ZINC001163172467 815863802 /nfs/dbraw/zinc/86/38/02/815863802.db2.gz SINQEVHAMBYWBV-JLLWLGSASA-N 2 0 263.345 -0.028 20 0 CBADRP COc1c(NC[C@@]23C[NH2+][C@@H](CO2)C3)ncnc1C1C[NH2+]C1 ZINC001163197287 815864716 /nfs/dbraw/zinc/86/47/16/815864716.db2.gz RONKLBDPUVPDJF-QMTHXVAHSA-N 2 0 291.355 -0.285 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ncc3c(n2)C[NH2+]CC3)N1 ZINC001163235051 815866919 /nfs/dbraw/zinc/86/69/19/815866919.db2.gz AZGPGSCYIWJXHR-MFKMUULPSA-N 2 0 274.328 -0.888 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cc3c(nn2)C[NH2+]C3)N1 ZINC001163238906 815869176 /nfs/dbraw/zinc/86/91/76/815869176.db2.gz PRVKHOUWUDAZNV-SKDRFNHKSA-N 2 0 260.301 -0.930 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc3c(n2)C[NH2+]CC3)N1 ZINC001163239995 815870157 /nfs/dbraw/zinc/87/01/57/815870157.db2.gz WWEXIHCGWYDLNV-SMDDNHRTSA-N 2 0 273.340 -0.283 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cnc3c(c2)C[NH2+]CC3)N1 ZINC001163246713 815872477 /nfs/dbraw/zinc/87/24/77/815872477.db2.gz BCEDXUDPNMGDPH-JSGCOSHPSA-N 2 0 273.340 -0.283 20 0 CBADRP COC(=O)Cc1cc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)cc[nH+]1 ZINC001163252093 815873803 /nfs/dbraw/zinc/87/38/03/815873803.db2.gz DVRRSLUHGMEKIE-RISCZKNCSA-N 2 0 290.323 -0.213 20 0 CBADRP COC(=O)Cc1cc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)cc[nH+]1 ZINC001163252091 815874048 /nfs/dbraw/zinc/87/40/48/815874048.db2.gz DVRRSLUHGMEKIE-BXUZGUMPSA-N 2 0 290.323 -0.213 20 0 CBADRP COc1c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)ncnc1C1C[NH2+]C1 ZINC001163342744 815879530 /nfs/dbraw/zinc/87/95/30/815879530.db2.gz WUWVVNVWDUKFAT-SCVCMEIPSA-N 2 0 291.355 -0.287 20 0 CBADRP C[NH+]1CCC[C@@H]1C(=O)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001292584182 816469114 /nfs/dbraw/zinc/46/91/14/816469114.db2.gz LFDZVUJQSVFRGY-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@H](C(=O)NCCCNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001293333225 816516836 /nfs/dbraw/zinc/51/68/36/816516836.db2.gz KZAURRNKPLJCSU-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)CC[NH+](C)C ZINC001294232858 816536118 /nfs/dbraw/zinc/53/61/18/816536118.db2.gz YHQGQHCKPOSMOS-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001190898536 823858205 /nfs/dbraw/zinc/85/82/05/823858205.db2.gz DCORJQVEYPZWPP-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](C)CC(=O)N(C)C)C1 ZINC001316850257 816892454 /nfs/dbraw/zinc/89/24/54/816892454.db2.gz CLGDNZUNACURIP-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP C[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)CC(N)=O ZINC001316859016 816894539 /nfs/dbraw/zinc/89/45/39/816894539.db2.gz JQDUILCIEZCAHZ-LLVKDONJSA-N 2 0 270.377 -0.748 20 0 CBADRP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)N1CCC1 ZINC001316865740 816894933 /nfs/dbraw/zinc/89/49/33/816894933.db2.gz RJWKMKSUADJNPZ-CYBMUJFWSA-N 2 0 296.415 -0.392 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCOCCO)C1 ZINC001316939780 816904024 /nfs/dbraw/zinc/90/40/24/816904024.db2.gz ARXSKVTWVQCJMO-KGLIPLIRSA-N 2 0 299.415 -0.330 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001316992634 816916209 /nfs/dbraw/zinc/91/62/09/816916209.db2.gz GNXVSCZNPHWWSO-ZDUSSCGKSA-N 2 0 285.388 -0.718 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]CCO)C2CC2)C1 ZINC001317035300 816922860 /nfs/dbraw/zinc/92/28/60/816922860.db2.gz SSSIAXZBPPNJIP-NWDGAFQWSA-N 2 0 255.362 -0.585 20 0 CBADRP O=C(NC[C@H]([NH2+]CCCO)C1CC1)C12CC[NH+](CC1)C2 ZINC001317031860 816922921 /nfs/dbraw/zinc/92/29/21/816922921.db2.gz ZOFTYYMTAPIGNS-ZDUSSCGKSA-N 2 0 281.400 -0.051 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001317058489 816925983 /nfs/dbraw/zinc/92/59/83/816925983.db2.gz DCMZOGHUHWXGFU-UONOGXRCSA-N 2 0 299.415 -0.330 20 0 CBADRP COCC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001317065446 816926067 /nfs/dbraw/zinc/92/60/67/816926067.db2.gz QNVZIRLFMXQSBV-ZDUSSCGKSA-N 2 0 299.415 -0.066 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCO)C2)CC[N@@H+]1C ZINC001317109790 816933200 /nfs/dbraw/zinc/93/32/00/816933200.db2.gz PKYCSRHZGAMNBK-FVCCEPFGSA-N 2 0 269.389 -0.054 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCO ZINC001317246672 816949640 /nfs/dbraw/zinc/94/96/40/816949640.db2.gz WYMJZVPIVIFUBY-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@H](O)C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001317450797 816982997 /nfs/dbraw/zinc/98/29/97/816982997.db2.gz IMDXKGUETYEZTB-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCC[NH+]2CCO)C1 ZINC001317511451 817001153 /nfs/dbraw/zinc/00/11/53/817001153.db2.gz ASXKXQBYCJCJFN-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH+](CCCO)C2CC2)C1 ZINC001317562371 817009233 /nfs/dbraw/zinc/00/92/33/817009233.db2.gz ZXLPNORLZCLKPG-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317620326 817030526 /nfs/dbraw/zinc/03/05/26/817030526.db2.gz POEHBBFKJJEPCX-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CCn1nncc1C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001317661581 817042765 /nfs/dbraw/zinc/04/27/65/817042765.db2.gz OOHSAEXYAAFDEB-LBPRGKRZSA-N 2 0 294.403 -0.202 20 0 CBADRP C[C@@H](O)C[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001318168798 817081930 /nfs/dbraw/zinc/08/19/30/817081930.db2.gz IVSKVMLPAKIFRN-NEPJUHHUSA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC2C[NH+](CCO)C2)C1 ZINC001318154354 817082913 /nfs/dbraw/zinc/08/29/13/817082913.db2.gz GUWQZKSVPZIRQJ-LLVKDONJSA-N 2 0 255.362 -0.632 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCOCCO)C2)C1 ZINC001318275566 817093371 /nfs/dbraw/zinc/09/33/71/817093371.db2.gz BDVCOFBYKBBPKY-KGLIPLIRSA-N 2 0 299.415 -0.472 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCO)C1 ZINC001318365983 817103763 /nfs/dbraw/zinc/10/37/63/817103763.db2.gz PMMDKSPNCYYUBA-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CCO)C1)[NH+](C)C ZINC001318443117 817109794 /nfs/dbraw/zinc/10/97/94/817109794.db2.gz RNZABSXHCOJKTL-RYUDHWBXSA-N 2 0 257.378 -0.148 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001318507355 817117211 /nfs/dbraw/zinc/11/72/11/817117211.db2.gz QNCUUILDYVTJML-UWVGGRQHSA-N 2 0 256.350 -0.950 20 0 CBADRP CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001320218730 817296372 /nfs/dbraw/zinc/29/63/72/817296372.db2.gz UKTGAGZDHHZJLA-RYUDHWBXSA-N 2 0 257.378 -0.054 20 0 CBADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]CCO)cc1 ZINC001320285909 817314651 /nfs/dbraw/zinc/31/46/51/817314651.db2.gz GOSZDKJCKVHXAE-AWEZNQCLSA-N 2 0 295.383 -0.579 20 0 CBADRP COCCC[NH2+]C[C@@H](O)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001320300460 817318641 /nfs/dbraw/zinc/31/86/41/817318641.db2.gz RVJDRRAYKDTHFE-HIFRSBDPSA-N 2 0 299.415 -0.425 20 0 CBADRP CCC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001320311440 817319770 /nfs/dbraw/zinc/31/97/70/817319770.db2.gz CEHGFLOAYSOSCN-CHWSQXEVSA-N 2 0 287.404 -0.569 20 0 CBADRP CCC[NH2+]C[C@H](O)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001320311442 817320258 /nfs/dbraw/zinc/32/02/58/817320258.db2.gz CEHGFLOAYSOSCN-OLZOCXBDSA-N 2 0 287.404 -0.569 20 0 CBADRP C[C@H](CC[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)CC[NH+](C)C ZINC001320542834 817353079 /nfs/dbraw/zinc/35/30/79/817353079.db2.gz LPWKNUBIEGMOBK-MNOVXSKESA-N 2 0 298.387 -0.772 20 0 CBADRP CC[C@H](C(=O)N(CC)CC[NH2+]CC(N)=O)[NH+](C)C ZINC001320767091 817388579 /nfs/dbraw/zinc/38/85/79/817388579.db2.gz OTUOHXJDSXJDLL-SNVBAGLBSA-N 2 0 258.366 -0.750 20 0 CBADRP CCN(CC[NH2+]CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001320891656 817408672 /nfs/dbraw/zinc/40/86/72/817408672.db2.gz ORLVLLQPYWBTMI-UHFFFAOYSA-N 2 0 255.362 -0.487 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)C[NH+](C)C)CC1 ZINC001320923768 817412712 /nfs/dbraw/zinc/41/27/12/817412712.db2.gz SZHLLPGDURAKGF-UHFFFAOYSA-N 2 0 256.394 -0.308 20 0 CBADRP C[C@H](O)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001321065173 817437401 /nfs/dbraw/zinc/43/74/01/817437401.db2.gz RFUUWJHITIGEBN-ZJRBINPNSA-N 2 0 281.400 -0.029 20 0 CBADRP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001321109083 817443665 /nfs/dbraw/zinc/44/36/65/817443665.db2.gz UQUCABOFFLIZQF-NPQIQWPPSA-N 2 0 298.431 -0.077 20 0 CBADRP C[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C)C(N)=O ZINC001321119711 817445052 /nfs/dbraw/zinc/44/50/52/817445052.db2.gz BTRCRANVUDNQGC-KBIXYVOKSA-N 2 0 282.388 -0.394 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001321248305 817468668 /nfs/dbraw/zinc/46/86/68/817468668.db2.gz AUVNNCMFEVTWFW-AIMRDXAKSA-N 2 0 296.415 -0.275 20 0 CBADRP CC[C@H](C(=O)NC/C=C\C[NH2+][C@H]1CCCNC1=O)[NH+](C)C ZINC001321334679 817484245 /nfs/dbraw/zinc/48/42/45/817484245.db2.gz CEJXWFFBRGWXAO-AGFGORMFSA-N 2 0 296.415 -0.133 20 0 CBADRP O=C(NC/C=C/C[NH2+]CCCO)C12CC[NH+](CC1)C2 ZINC001321336683 817484511 /nfs/dbraw/zinc/48/45/11/817484511.db2.gz LSNDENOZXWOFGP-OWOJBTEDSA-N 2 0 267.373 -0.273 20 0 CBADRP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001321349732 817487354 /nfs/dbraw/zinc/48/73/54/817487354.db2.gz KZNDDUYWWQAURQ-KZQRZKTQSA-N 2 0 284.404 -0.292 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@H](C)C(N)=O ZINC001321418828 817496576 /nfs/dbraw/zinc/49/65/76/817496576.db2.gz JVEWGQKLGVUQOS-NTQVKLLNSA-N 2 0 296.415 -0.003 20 0 CBADRP C[NH2+]CCC(=O)NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481289 825045534 /nfs/dbraw/zinc/04/55/34/825045534.db2.gz CGOYUFZGRLBKCU-CKYFFXLPSA-N 2 0 259.350 -0.563 20 0 CBADRP [NH3+]CC1(F)CCN(S(=O)(=O)[C@H]2CC[NH2+]C2)CC1 ZINC001239013062 825582344 /nfs/dbraw/zinc/58/23/44/825582344.db2.gz WRPUKVBDUSJLHR-VIFPVBQESA-N 2 0 265.354 -0.559 20 0 CBADRP [NH3+][C@@]12C[C@@H]1CN(S(=O)(=O)CC1CC[NH2+]CC1)C2 ZINC001239106369 825588378 /nfs/dbraw/zinc/58/83/78/825588378.db2.gz DZKYYOYZSWCTFY-GHMZBOCLSA-N 2 0 259.375 -0.651 20 0 CBADRP [NH3+]CCN(CCO)c1ccc2c(n1)OCC[NH2+]C2 ZINC001163827758 819853778 /nfs/dbraw/zinc/85/37/78/819853778.db2.gz MKSOFSKJCHVMFU-UHFFFAOYSA-N 2 0 252.318 -0.679 20 0 CBADRP C[C@H]1CN(c2ccc(N(CC[NH3+])CCO)nn2)CC[NH2+]1 ZINC001163827658 819853946 /nfs/dbraw/zinc/85/39/46/819853946.db2.gz JFVVBLFGZMYPOM-NSHDSACASA-N 2 0 280.376 -0.968 20 0 CBADRP [NH3+]CCN(CCO)c1nc(Cl)nc2c1CC[NH2+]CC2 ZINC001163830246 819855720 /nfs/dbraw/zinc/85/57/20/819855720.db2.gz UGADUHRELPDEPX-UHFFFAOYSA-N 2 0 285.779 -0.424 20 0 CBADRP COC(OC)c1c(C[NH3+])ccnc1N(CC[NH3+])CCO ZINC001163829915 819856997 /nfs/dbraw/zinc/85/69/97/819856997.db2.gz IVLNRPCPGOLOAJ-UHFFFAOYSA-N 2 0 284.360 -0.411 20 0 CBADRP [NH3+]CCN(CCO)c1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC001163835743 819858541 /nfs/dbraw/zinc/85/85/41/819858541.db2.gz DNYZMDSYXGFMPM-UHFFFAOYSA-N 2 0 292.383 -0.511 20 0 CBADRP CN(c1cccc(C[NH+](C)C)n1)S(=O)(=O)CC[NH3+] ZINC001164292724 819902555 /nfs/dbraw/zinc/90/25/55/819902555.db2.gz ZQBMGKUDPFAMLB-UHFFFAOYSA-N 2 0 272.374 -0.132 20 0 CBADRP CN(c1cccnc1OC1C[NH2+]C1)S(=O)(=O)CC[NH3+] ZINC001164300472 819905780 /nfs/dbraw/zinc/90/57/80/819905780.db2.gz QVWJBOJVCCLQNE-UHFFFAOYSA-N 2 0 286.357 -0.843 20 0 CBADRP c1nc2c(n1-c1ncnc3c1CC[NH2+]CC3)C[NH2+]CC2 ZINC001164310226 819908808 /nfs/dbraw/zinc/90/88/08/819908808.db2.gz MOJRXMXBAWBBLI-UHFFFAOYSA-N 2 0 270.340 -0.004 20 0 CBADRP C[C@H]1CN(c2ccc(NOCC[NH3+])nn2)CC[NH2+]1 ZINC001164415450 819911793 /nfs/dbraw/zinc/91/17/93/819911793.db2.gz VVVCCQUJITWBQS-VIFPVBQESA-N 2 0 252.322 -0.423 20 0 CBADRP [NH3+]C1CCN(c2cccc(N3C[C@@H](O)[C@H](CO)C3)[nH+]2)CC1 ZINC001164543827 819925948 /nfs/dbraw/zinc/92/59/48/819925948.db2.gz FQIRXEGLEKZCDI-WCQYABFASA-N 2 0 292.383 -0.202 20 0 CBADRP C[NH+]1CCN(c2cccc(N3C[C@@H]([NH3+])[C@H](O)C3)n2)CC1 ZINC001165147607 819939570 /nfs/dbraw/zinc/93/95/70/819939570.db2.gz JJKNZZDIKWUYGF-VXGBXAGGSA-N 2 0 277.372 -0.658 20 0 CBADRP CO[C@@H]1CN(c2ccc(N3CC[NH+](C)CC3)nn2)C[C@H]1[NH3+] ZINC001165204592 819942924 /nfs/dbraw/zinc/94/29/24/819942924.db2.gz NTCNAPOOGXHPRF-VXGBXAGGSA-N 2 0 292.387 -0.609 20 0 CBADRP CO[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)C[C@H]1[NH3+] ZINC001165204111 819943475 /nfs/dbraw/zinc/94/34/75/819943475.db2.gz ASZUBVLTSCVRHN-OLZOCXBDSA-N 2 0 291.399 -0.004 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001165262995 819944449 /nfs/dbraw/zinc/94/44/49/819944449.db2.gz MQHVFKUCZJWHRR-SNVBAGLBSA-N 2 0 270.377 -0.702 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165263381 819944517 /nfs/dbraw/zinc/94/45/17/819944517.db2.gz NHRLIOCHWVEJCE-NSHDSACASA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH+](C)CC1(C(=O)NCCC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001165255346 819944664 /nfs/dbraw/zinc/94/46/64/819944664.db2.gz ZFQBRUMUCGKALC-LLVKDONJSA-N 2 0 282.388 -0.687 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165254597 819944769 /nfs/dbraw/zinc/94/47/69/819944769.db2.gz RAUYRWPFMJEDNF-UHFFFAOYSA-N 2 0 270.377 -0.830 20 0 CBADRP Cn1ncc(C[NH2+]CCCNC(=O)CCC[NH+](C)C)n1 ZINC001165360838 819957581 /nfs/dbraw/zinc/95/75/81/819957581.db2.gz UCVALCKYDQNSNB-UHFFFAOYSA-N 2 0 282.392 -0.247 20 0 CBADRP CCCNC(=O)C[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165360813 819957744 /nfs/dbraw/zinc/95/77/44/819957744.db2.gz SXQWGXINSBLWNY-UHFFFAOYSA-N 2 0 286.420 -0.050 20 0 CBADRP Cn1nnnc1C[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165367292 819958165 /nfs/dbraw/zinc/95/81/65/819958165.db2.gz QFLFHQZQRWOQMU-UHFFFAOYSA-N 2 0 283.380 -0.852 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1cc(C[NH3+])ncn1 ZINC001165404529 819960223 /nfs/dbraw/zinc/96/02/23/819960223.db2.gz GKTUCBDUTVOMLO-ZMLRMANQSA-N 2 0 291.355 -0.335 20 0 CBADRP c1cc(N2CCC[C@@H]3[NH2+]C[C@H]32)nnc1N1CC[NH2+]CC1 ZINC001165390444 819960357 /nfs/dbraw/zinc/96/03/57/819960357.db2.gz LEAQRZWLYAHYSC-NWDGAFQWSA-N 2 0 274.372 -0.173 20 0 CBADRP CC(C)[C@@H](C(=O)NCCC1(C[NH2+]CC(N)=O)CC1)[NH+](C)C ZINC001165617994 819978139 /nfs/dbraw/zinc/97/81/39/819978139.db2.gz UYKGQJMBQUVHSC-ZDUSSCGKSA-N 2 0 298.431 -0.066 20 0 CBADRP C[NH+]1CCC(C(=O)NCCC[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001165776603 819982264 /nfs/dbraw/zinc/98/22/64/819982264.db2.gz LJTGCVANPHFKIO-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165772376 819982571 /nfs/dbraw/zinc/98/25/71/819982571.db2.gz ODHNZAHFVKOUJZ-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP C[NH+]1CCC(C(=O)NCCC[NH2+]CCOCCO)CC1 ZINC001165776031 819982654 /nfs/dbraw/zinc/98/26/54/819982654.db2.gz DLFJFLBDZYPPAF-UHFFFAOYSA-N 2 0 287.404 -0.567 20 0 CBADRP Cn1nnnc1C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165772274 819982753 /nfs/dbraw/zinc/98/27/53/819982753.db2.gz KZRQNDKMMUZRPW-UHFFFAOYSA-N 2 0 295.391 -0.852 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[NH2+]CCN1CCCC1=O ZINC001165781796 819983833 /nfs/dbraw/zinc/98/38/33/819983833.db2.gz ZYVGWMSEIVFLBZ-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[NH2+]CC(=O)Nc1ccon1 ZINC001165788860 819984210 /nfs/dbraw/zinc/98/42/10/819984210.db2.gz WBSKLDWFZMBOGV-UHFFFAOYSA-N 2 0 297.359 -0.339 20 0 CBADRP CC(C)[C@H](C(=O)NCCC[NH2+][C@@H]1CCCNC1=O)[NH+](C)C ZINC001166004562 819988609 /nfs/dbraw/zinc/98/86/09/819988609.db2.gz RVBMBMQFUNMSJV-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)[C@H](C(=O)NCCC[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001166004313 819989044 /nfs/dbraw/zinc/98/90/44/819989044.db2.gz KKOIHNASFMRVTL-VXGBXAGGSA-N 2 0 284.404 -0.443 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166010151 819990404 /nfs/dbraw/zinc/99/04/04/819990404.db2.gz ISTMKOOGCHBDAQ-VXGBXAGGSA-N 2 0 286.420 -0.197 20 0 CBADRP [NH3+]CCc1nccn1-c1ccnc(N2CC[NH2+]CC2)n1 ZINC001166277500 819996870 /nfs/dbraw/zinc/99/68/70/819996870.db2.gz UCEIJDAHUARJCB-UHFFFAOYSA-N 2 0 273.344 -0.427 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]Cc1nncn1C ZINC001166634541 820008286 /nfs/dbraw/zinc/00/82/86/820008286.db2.gz VMYSYVGXQXNRFT-GFCCVEGCSA-N 2 0 294.403 -0.105 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001166627138 820008379 /nfs/dbraw/zinc/00/83/79/820008379.db2.gz QUCWUIWDEGIGNQ-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]Cc1cnnn1C ZINC001166633613 820009058 /nfs/dbraw/zinc/00/90/58/820009058.db2.gz IRIROAUXKJOVBP-GFCCVEGCSA-N 2 0 294.403 -0.105 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166634873 820009096 /nfs/dbraw/zinc/00/90/96/820009096.db2.gz WVUXBQVPZSDKJP-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]Cc1nnnn1C ZINC001166633189 820010131 /nfs/dbraw/zinc/01/01/31/820010131.db2.gz BOGVMNSKWLCXAV-LLVKDONJSA-N 2 0 295.391 -0.710 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(N)=O ZINC001166634152 820010844 /nfs/dbraw/zinc/01/08/44/820010844.db2.gz PPZPZHBLKCSDGQ-SNVBAGLBSA-N 2 0 256.350 -0.948 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]Cc2cnnn2C)C1 ZINC001166667471 820013362 /nfs/dbraw/zinc/01/33/62/820013362.db2.gz BRQDTGUDKZHSQV-GFCCVEGCSA-N 2 0 294.403 -0.247 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166678134 820013622 /nfs/dbraw/zinc/01/36/22/820013622.db2.gz SWAWYXZQWSGAAD-OLZOCXBDSA-N 2 0 287.404 -0.569 20 0 CBADRP C[C@@H](O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166676644 820013707 /nfs/dbraw/zinc/01/37/07/820013707.db2.gz AGQGDUNJHJHZNT-VXGBXAGGSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CCn2cncn2)C1 ZINC001166678109 820013892 /nfs/dbraw/zinc/01/38/92/820013892.db2.gz SBVVORDMJUSAIH-CYBMUJFWSA-N 2 0 294.403 -0.284 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]Cc2ncnn2C)C1 ZINC001166667677 820014235 /nfs/dbraw/zinc/01/42/35/820014235.db2.gz GSEKXBGFXSVZKP-GFCCVEGCSA-N 2 0 294.403 -0.247 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCn1cncn1 ZINC001166693487 820015624 /nfs/dbraw/zinc/01/56/24/820015624.db2.gz SPLMQEBUWJCRSZ-STQMWFEESA-N 2 0 294.403 -0.428 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCCO ZINC001166691823 820015827 /nfs/dbraw/zinc/01/58/27/820015827.db2.gz NZKQTQJOBZRHGU-NEPJUHHUSA-N 2 0 257.378 -0.338 20 0 CBADRP COCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166695067 820015887 /nfs/dbraw/zinc/01/58/87/820015887.db2.gz ZSTVLLVDXNGHQL-NWDGAFQWSA-N 2 0 257.378 -0.074 20 0 CBADRP Cc1nnc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)[nH]1 ZINC001166692444 820016314 /nfs/dbraw/zinc/01/63/14/820016314.db2.gz PTSNWFMIACDFCT-CMPLNLGQSA-N 2 0 294.403 -0.093 20 0 CBADRP Cc1nnc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)[nH]1 ZINC001166692447 820017540 /nfs/dbraw/zinc/01/75/40/820017540.db2.gz PTSNWFMIACDFCT-ZYHUDNBSSA-N 2 0 294.403 -0.093 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCCO ZINC001166691824 820017587 /nfs/dbraw/zinc/01/75/87/820017587.db2.gz NZKQTQJOBZRHGU-NWDGAFQWSA-N 2 0 257.378 -0.338 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1ncnn1C ZINC001166708441 820018390 /nfs/dbraw/zinc/01/83/90/820018390.db2.gz QPSPHJJGKGGXMY-NEPJUHHUSA-N 2 0 294.403 -0.391 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001166709431 820018602 /nfs/dbraw/zinc/01/86/02/820018602.db2.gz ZSDFDRXFKIMRLY-GHMZBOCLSA-N 2 0 295.391 -0.996 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1ncnn1C ZINC001166708442 820019626 /nfs/dbraw/zinc/01/96/26/820019626.db2.gz QPSPHJJGKGGXMY-NWDGAFQWSA-N 2 0 294.403 -0.391 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1cnnn1C ZINC001166708642 820019766 /nfs/dbraw/zinc/01/97/66/820019766.db2.gz VLMIJRITPMPCQC-YPMHNXCESA-N 2 0 294.403 -0.391 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001166858426 820041979 /nfs/dbraw/zinc/04/19/79/820041979.db2.gz UOSUHBZMNHMHED-LBPRGKRZSA-N 2 0 282.392 -0.249 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001166858287 820043015 /nfs/dbraw/zinc/04/30/15/820043015.db2.gz OCLOIDPCAWORRW-LBPRGKRZSA-N 2 0 282.392 -0.249 20 0 CBADRP C[NH+](C)CC1(C(=O)NCCC2(C[NH2+]CC(N)=O)CC2)CC1 ZINC001166869920 820043138 /nfs/dbraw/zinc/04/31/38/820043138.db2.gz OSSWUMPTGVUOKZ-UHFFFAOYSA-N 2 0 296.415 -0.310 20 0 CBADRP [NH3+][C@@H]1CN(c2ccc(N3CC[NH2+]CC3)cn2)C[C@@H]1F ZINC001166930317 820046138 /nfs/dbraw/zinc/04/61/38/820046138.db2.gz RWFOMPHMSZBUAR-NWDGAFQWSA-N 2 0 265.336 -0.023 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166986614 820061299 /nfs/dbraw/zinc/06/12/99/820061299.db2.gz OSKUYRKOHKPLCU-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP [NH3+][C@H]1CN(c2ccc(OC3CC[NH2+]CC3)nn2)C[C@H]1O ZINC001167092611 820069642 /nfs/dbraw/zinc/06/96/42/820069642.db2.gz NKDMWPDEEXCKRR-WDEREUQCSA-N 2 0 279.344 -0.884 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC2(C[NH2+]CC(N)=O)CC2)C1 ZINC001167232428 820075335 /nfs/dbraw/zinc/07/53/35/820075335.db2.gz CEHRPRNEUPSRMM-GFCCVEGCSA-N 2 0 296.415 -0.310 20 0 CBADRP C[NH+]1CCC(CC(=O)NCCC[NH2+]CCO)CC1 ZINC001167668196 820109921 /nfs/dbraw/zinc/10/99/21/820109921.db2.gz RTCGZBUVBKHFNZ-UHFFFAOYSA-N 2 0 257.378 -0.194 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1-c1ncccc1N1CC[NH2+]CC1 ZINC001167671693 820110362 /nfs/dbraw/zinc/11/03/62/820110362.db2.gz ABZFVGFWAKZCGY-UHFFFAOYSA-N 2 0 299.382 -0.077 20 0 CBADRP N=c1cc(C[NH3+])ccn1-c1ccnc(N2CC[NH2+]CC2)n1 ZINC001167683159 820111823 /nfs/dbraw/zinc/11/18/23/820111823.db2.gz IOKQHGWHRUVIPV-UHFFFAOYSA-N 2 0 285.355 -0.385 20 0 CBADRP [NH3+]CCc1ccn(-c2cnc(O[C@H]3CC[NH2+]C3)nc2)n1 ZINC001167730172 820113793 /nfs/dbraw/zinc/11/37/93/820113793.db2.gz DIEXCBUEKXOCQF-LBPRGKRZSA-N 2 0 274.328 -0.096 20 0 CBADRP [NH3+]CCc1ccn(-c2ccnc(N3CC[NH2+]CC3)n2)n1 ZINC001167726301 820113798 /nfs/dbraw/zinc/11/37/98/820113798.db2.gz AXVBNFZDTWDYJC-UHFFFAOYSA-N 2 0 273.344 -0.427 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])Nc1ncc2c(n1)OCC(=O)N2 ZINC001167880579 820125193 /nfs/dbraw/zinc/12/51/93/820125193.db2.gz PTAPDKCDCHOIEN-UHFFFAOYSA-N 2 0 279.304 -0.517 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168023147 820138463 /nfs/dbraw/zinc/13/84/63/820138463.db2.gz UTAOOQKJXILBQD-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H]([NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001168139274 820145831 /nfs/dbraw/zinc/14/58/31/820145831.db2.gz ZLFJERQWSXLASQ-NEPJUHHUSA-N 2 0 296.415 -0.312 20 0 CBADRP F[C@@H]1CC[NH2+]C[C@@H]1Nc1ccnc(N2CC[NH2+]CC2)n1 ZINC001168227572 820151654 /nfs/dbraw/zinc/15/16/54/820151654.db2.gz AKPPCURMVKCMFE-MNOVXSKESA-N 2 0 280.351 -0.002 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001168755108 820174876 /nfs/dbraw/zinc/17/48/76/820174876.db2.gz IISRTNPPEBPCFO-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)C[NH+](CC)CC ZINC001168755281 820174922 /nfs/dbraw/zinc/17/49/22/820174922.db2.gz LSKUKGHBQMJXFN-UHFFFAOYSA-N 2 0 272.393 -0.440 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CCn1cncn1 ZINC001168763587 820180441 /nfs/dbraw/zinc/18/04/41/820180441.db2.gz QAWNQFDWANYBOW-UHFFFAOYSA-N 2 0 282.392 -0.284 20 0 CBADRP [NH3+][C@H]1CCc2nn(-c3nccc(N4CC[NH2+]CC4)n3)cc2C1 ZINC001168808713 820184610 /nfs/dbraw/zinc/18/46/10/820184610.db2.gz NEYBMQIYGFASLI-LBPRGKRZSA-N 2 0 299.382 -0.112 20 0 CBADRP Cc1nc(CC[NH3+])nn1-c1ccc(OC2C[NH2+]C2)cn1 ZINC001168989682 820199861 /nfs/dbraw/zinc/19/98/61/820199861.db2.gz PUGSDLSFPWSQPK-UHFFFAOYSA-N 2 0 274.328 -0.177 20 0 CBADRP C[NH2+]Cc1cc(-n2cncc2C[C@@H]([NH3+])CO)ncn1 ZINC001169072506 820205563 /nfs/dbraw/zinc/20/55/63/820205563.db2.gz UJTLRFBRLUIKFY-SECBINFHSA-N 2 0 262.317 -0.756 20 0 CBADRP CC1CC[NH+](CC(=O)NCCC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001169126640 820210133 /nfs/dbraw/zinc/21/01/33/820210133.db2.gz CJAIEUCNEFEIMN-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP CC1CC[NH+](CC(=O)NCCC[NH2+]CCO)CC1 ZINC001169134536 820211777 /nfs/dbraw/zinc/21/17/77/820211777.db2.gz MTSFFPZLMNVXLK-UHFFFAOYSA-N 2 0 257.378 -0.194 20 0 CBADRP [NH3+]Cc1cnnn1-c1ccc(O[C@H]2CCC[NH2+]C2)nn1 ZINC001169311224 820226311 /nfs/dbraw/zinc/22/63/11/820226311.db2.gz SLLWSPBNJQHVRD-JTQLQIEISA-N 2 0 275.316 -0.353 20 0 CBADRP [NH3+]Cc1cnnn1-c1cc[nH+]c(N2CCOCC2)c1 ZINC001169311211 820227086 /nfs/dbraw/zinc/22/70/86/820227086.db2.gz RVDXGFUYRHBIBZ-UHFFFAOYSA-N 2 0 260.301 -0.042 20 0 CBADRP C[NH+]1CCC(OCC(=O)NCCC[NH2+]CCCO)CC1 ZINC001169532078 820251056 /nfs/dbraw/zinc/25/10/56/820251056.db2.gz XKUYBVBGQYJUBI-UHFFFAOYSA-N 2 0 287.404 -0.425 20 0 CBADRP CC(=O)N1CC[C@H](N2CC[NH+](CCCC[NH3+])CC2)C1 ZINC001169535308 820253027 /nfs/dbraw/zinc/25/30/27/820253027.db2.gz RVLWWMGMSINRDS-AWEZNQCLSA-N 2 0 268.405 -0.036 20 0 CBADRP CC(=O)N1CCC[C@@H]([NH2+]CCN2CC[NH+](C)CC2)C1 ZINC001169570840 820257022 /nfs/dbraw/zinc/25/70/22/820257022.db2.gz WNNFKHOPHRTWEV-CQSZACIVSA-N 2 0 268.405 -0.166 20 0 CBADRP CCOC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)C[NH3+])CC1 ZINC001169646355 820261603 /nfs/dbraw/zinc/26/16/03/820261603.db2.gz SKELVFFKJNCGMS-MNOVXSKESA-N 2 0 259.350 -0.093 20 0 CBADRP c1cc(N2CC[NH2+]CC2)nc(NC[C@H]2COCC[NH2+]2)n1 ZINC001170032607 820274516 /nfs/dbraw/zinc/27/45/16/820274516.db2.gz NHXMJWQFJPCFNO-NSHDSACASA-N 2 0 278.360 -0.714 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)CC[N@H+](C)CC ZINC001170211929 820279872 /nfs/dbraw/zinc/27/98/72/820279872.db2.gz RSGOGGPTNOXKOU-UHFFFAOYSA-N 2 0 272.393 -0.440 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]C[C@H](O)COC ZINC001170211493 820279892 /nfs/dbraw/zinc/27/98/92/820279892.db2.gz NVPNAJGBTLHTEB-LBPRGKRZSA-N 2 0 275.393 -0.569 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001170222537 820282905 /nfs/dbraw/zinc/28/29/05/820282905.db2.gz MMUQQEHXCZPIEF-LBPRGKRZSA-N 2 0 286.420 -0.099 20 0 CBADRP C[NH+]1CC(CNc2nccc(N3CC[NH2+]CC3)n2)C1 ZINC001170250106 820283259 /nfs/dbraw/zinc/28/32/59/820283259.db2.gz YJCBATHDRDBENJ-UHFFFAOYSA-N 2 0 262.361 -0.140 20 0 CBADRP [NH3+]CCOCCOCCNc1ccc2c(n1)OCC[NH2+]C2 ZINC001170509138 820297619 /nfs/dbraw/zinc/29/76/19/820297619.db2.gz XFPHOBGXTBVDDL-UHFFFAOYSA-N 2 0 296.371 -0.033 20 0 CBADRP COc1c(N[C@@H](C)[C@H]2C[NH2+]CCO2)ncnc1C1C[NH2+]C1 ZINC001170566604 820307053 /nfs/dbraw/zinc/30/70/53/820307053.db2.gz AGECDFKYWXJDTM-GXSJLCMTSA-N 2 0 293.371 -0.039 20 0 CBADRP C[C@@H](Nc1ncc2c(n1)C[NH2+]CC2)[C@H]1C[NH2+]CCO1 ZINC001170566144 820307366 /nfs/dbraw/zinc/30/73/66/820307366.db2.gz XIEVDCIJMRTKFB-BXKDBHETSA-N 2 0 263.345 -0.089 20 0 CBADRP C[NH2+]Cc1cc(N[C@H](C)[C@H]2C[NH2+]CCO2)ncn1 ZINC001170574737 820307755 /nfs/dbraw/zinc/30/77/55/820307755.db2.gz WMXPSLALVFMTJO-MWLCHTKSSA-N 2 0 251.334 -0.015 20 0 CBADRP C[NH2+]Cc1cc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)ncn1 ZINC001170574738 820309185 /nfs/dbraw/zinc/30/91/85/820309185.db2.gz WMXPSLALVFMTJO-ONGXEEELSA-N 2 0 251.334 -0.015 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@@H]1Nc1nc(Cl)nc2c1CC[NH2+]CC2 ZINC001170772267 820316656 /nfs/dbraw/zinc/31/66/56/820316656.db2.gz CAUAHNUWDVSXIS-KWQFWETISA-N 2 0 297.790 -0.190 20 0 CBADRP OC[C@H]1C[NH2+]C[C@@H]1Nc1ccc(OC2C[NH2+]C2)cn1 ZINC001170780382 820322384 /nfs/dbraw/zinc/32/23/84/820322384.db2.gz GENDBMYOXVTVHO-SKDRFNHKSA-N 2 0 264.329 -0.576 20 0 CBADRP [NH3+]C1CCN(c2nccc(N[C@@H]3C[NH2+]C[C@@H]3CO)n2)CC1 ZINC001170779887 820322549 /nfs/dbraw/zinc/32/25/49/820322549.db2.gz YZRKSTYMLUKVOT-ZYHUDNBSSA-N 2 0 292.387 -0.604 20 0 CBADRP CC[C@]([NH3+])(CO)Nc1ccnc(N2CCC([NH3+])CC2)n1 ZINC001170859118 820328943 /nfs/dbraw/zinc/32/89/43/820328943.db2.gz NLQKMHJWYRPPSW-CYBMUJFWSA-N 2 0 280.376 -0.127 20 0 CBADRP CC[C@@]([NH3+])(CO)Nc1ccnc(N2CCC([NH3+])CC2)n1 ZINC001170859120 820329129 /nfs/dbraw/zinc/32/91/29/820329129.db2.gz NLQKMHJWYRPPSW-ZDUSSCGKSA-N 2 0 280.376 -0.127 20 0 CBADRP CC[C@]([NH3+])(CO)Nc1cccnc1OC1C[NH2+]C1 ZINC001170866403 820329905 /nfs/dbraw/zinc/32/99/05/820329905.db2.gz RRPUZMXEHIVPIO-GFCCVEGCSA-N 2 0 252.318 -0.099 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncc2c(n1)C[NH2+]CC2 ZINC001170870999 820330859 /nfs/dbraw/zinc/33/08/59/820330859.db2.gz WYRJRFSLWHTDHH-ZYHUDNBSSA-N 2 0 291.355 -0.315 20 0 CBADRP CC[C@@]([NH3+])(CO)Nc1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001170865246 820331524 /nfs/dbraw/zinc/33/15/24/820331524.db2.gz LDELOPRCELYJII-JQWIXIFHSA-N 2 0 267.333 -0.314 20 0 CBADRP CC[C@]([NH3+])(CO)Nc1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001170865248 820331908 /nfs/dbraw/zinc/33/19/08/820331908.db2.gz LDELOPRCELYJII-ZYHUDNBSSA-N 2 0 267.333 -0.314 20 0 CBADRP COCCNC(=O)c1ccc(N[C@H]([NH3+])CCC[NH3+])nc1 ZINC001170896559 820332084 /nfs/dbraw/zinc/33/20/84/820332084.db2.gz HBFCEHBHLDKOKY-NSHDSACASA-N 2 0 281.360 -0.107 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1nccnc1N1CCOCC1 ZINC001170897259 820332772 /nfs/dbraw/zinc/33/27/72/820332772.db2.gz KYZHJIBPVPPIHS-SNVBAGLBSA-N 2 0 266.349 -0.251 20 0 CBADRP CC(=O)Nc1nc2nc[nH]c2c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001170897370 820333233 /nfs/dbraw/zinc/33/32/33/820333233.db2.gz FVBWDBLFIKJEKU-SSDOTTSWSA-N 2 0 278.320 -0.253 20 0 CBADRP COC(=O)c1nc(N[C@H]([NH3+])CCC[NH3+])cc(C2CC2)n1 ZINC001170897952 820333573 /nfs/dbraw/zinc/33/35/73/820333573.db2.gz RABAWRNNBBHDCE-JTQLQIEISA-N 2 0 279.344 -0.002 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccnc(N2CC[NH2+]CC2)n1 ZINC001170894104 820333836 /nfs/dbraw/zinc/33/38/36/820333836.db2.gz GZDWHBAREGQZMF-JTQLQIEISA-N 3 0 265.365 -0.678 20 0 CBADRP CS(=O)(=O)c1ccnc(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001170897417 820333973 /nfs/dbraw/zinc/33/39/73/820333973.db2.gz HFOHFKHYNGGKEJ-VIFPVBQESA-N 2 0 258.347 -0.079 20 0 CBADRP C[C@@]1(c2cccnc2N[C@H]([NH3+])CCC[NH3+])NC(=O)NC1=O ZINC001170897877 820334058 /nfs/dbraw/zinc/33/40/58/820334058.db2.gz PRFLCPHWJUZAEH-ZANVPECISA-N 2 0 292.343 -0.428 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1cccnc1OC1C[NH2+]C1 ZINC001170903357 820334822 /nfs/dbraw/zinc/33/48/22/820334822.db2.gz JOAPPVPYTQRZKH-LLVKDONJSA-N 3 0 251.334 -0.132 20 0 CBADRP NS(=O)(=O)c1ccc(N[C@@H]([NH3+])CCC[NH3+])cc1F ZINC001170900352 820335442 /nfs/dbraw/zinc/33/54/42/820335442.db2.gz KILIZNNOXXOORQ-SNVBAGLBSA-N 2 0 276.337 -0.091 20 0 CBADRP COc1cc(N[C@@H]([NH3+])CCC[NH3+])nc([S@@](C)=O)n1 ZINC001170899980 820335864 /nfs/dbraw/zinc/33/58/64/820335864.db2.gz ZHHHOUFVKKKLNS-LWESTGQBSA-N 2 0 273.362 -0.342 20 0 CBADRP C[C@H](O)CCC[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171205738 820348486 /nfs/dbraw/zinc/34/84/86/820348486.db2.gz WXBQRZOFJSBZII-ZDUSSCGKSA-N 2 0 289.420 -0.179 20 0 CBADRP Cn1nncc1C[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171216365 820350715 /nfs/dbraw/zinc/35/07/15/820350715.db2.gz HFSCLEJTCJDAQW-LBPRGKRZSA-N 2 0 294.403 -0.247 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171227068 820351389 /nfs/dbraw/zinc/35/13/89/820351389.db2.gz MMRWUIFGBWZNDY-OLZOCXBDSA-N 2 0 287.404 -0.569 20 0 CBADRP Cn1ncc(C[NH2+]CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001171215850 820352124 /nfs/dbraw/zinc/35/21/24/820352124.db2.gz DEMZSZLHCKVVHW-LBPRGKRZSA-N 2 0 294.403 -0.247 20 0 CBADRP CN(C)C(=O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171218773 820352538 /nfs/dbraw/zinc/35/25/38/820352538.db2.gz SYMUHMVBUGDPFM-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP CCCNC(=O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171293432 820357252 /nfs/dbraw/zinc/35/72/52/820357252.db2.gz JCQRUDPYUGXUTP-UHFFFAOYSA-N 2 0 296.415 -0.296 20 0 CBADRP CN1CC[C@H]([NH2+]CCCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001171294171 820357392 /nfs/dbraw/zinc/35/73/92/820357392.db2.gz RANOMVHABQHTAX-LBPRGKRZSA-N 2 0 294.399 -0.591 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171293998 820357722 /nfs/dbraw/zinc/35/77/22/820357722.db2.gz PFDWXVZLBNBFTG-GFCCVEGCSA-N 2 0 285.388 -0.815 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001171762996 820368910 /nfs/dbraw/zinc/36/89/10/820368910.db2.gz PMLADUVWOZVMFB-SNVBAGLBSA-N 2 0 258.366 -0.702 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001171770423 820369214 /nfs/dbraw/zinc/36/92/14/820369214.db2.gz QQWYYUOEHOCPRW-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001171724958 820370403 /nfs/dbraw/zinc/37/04/03/820370403.db2.gz AIXGQOLWGXJDDD-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001171762796 820370809 /nfs/dbraw/zinc/37/08/09/820370809.db2.gz LHLNFIGAFLUUBJ-NSHDSACASA-N 2 0 298.387 -0.771 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)C(=O)NC ZINC001171731710 820370939 /nfs/dbraw/zinc/37/09/39/820370939.db2.gz MMMSWVIZTNJQND-LBPRGKRZSA-N 2 0 286.420 -0.051 20 0 CBADRP C[NH+]1CCN(CC[NH2+][C@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172001524 820374500 /nfs/dbraw/zinc/37/45/00/820374500.db2.gz UJENCOFIYJLLMA-ZDUSSCGKSA-N 2 0 280.416 -0.023 20 0 CBADRP CCN1CC[C@H]([NH2+]CCN2CC[NH+](C)CC2)CC1=O ZINC001172020593 820375722 /nfs/dbraw/zinc/37/57/22/820375722.db2.gz JLTZMHWLAUESAS-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CC1=O ZINC001172032848 820377754 /nfs/dbraw/zinc/37/77/54/820377754.db2.gz SEWGHEPNSNBXMD-SNVBAGLBSA-N 2 0 288.352 -0.865 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])N[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172149242 820384364 /nfs/dbraw/zinc/38/43/64/820384364.db2.gz FTSWSFKDZKTVEE-QWRGUYRKSA-N 2 0 267.377 -0.007 20 0 CBADRP C[NH+]1CCN(CC[NH2+][C@@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172152427 820385572 /nfs/dbraw/zinc/38/55/72/820385572.db2.gz FGEJSQNJDLJLPL-KGLIPLIRSA-N 2 0 280.416 -0.023 20 0 CBADRP CN(CC[NH3+])CC[NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172163894 820387735 /nfs/dbraw/zinc/38/77/35/820387735.db2.gz KHYFGILDAJYHIH-VXGBXAGGSA-N 2 0 254.378 -0.380 20 0 CBADRP CC[N@@H+]1CC[C@H](N2CCN(C)C[C@H]2C(=O)OC)C1 ZINC001173369949 820403298 /nfs/dbraw/zinc/40/32/98/820403298.db2.gz BXQUCTJZJARYIS-RYUDHWBXSA-N 2 0 255.362 -0.130 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCOCC[NH3+])C[C@@H]1C(=O)OC ZINC001173561817 820404529 /nfs/dbraw/zinc/40/45/29/820404529.db2.gz BSEKKARDMGBWLQ-RTCCRHLQSA-N 2 0 288.344 -0.708 20 0 CBADRP [NH3+]CCN1CC[NH+]([C@@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173734646 820409366 /nfs/dbraw/zinc/40/93/66/820409366.db2.gz NUVYGMTULKCUIA-OLZOCXBDSA-N 2 0 279.392 -0.267 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)C1 ZINC001176072350 820437554 /nfs/dbraw/zinc/43/75/54/820437554.db2.gz QHUUTZZJJQCSNC-LLVKDONJSA-N 2 0 291.417 -0.921 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001176058439 820437598 /nfs/dbraw/zinc/43/75/98/820437598.db2.gz XJWPWPMWRPGXSA-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP CN1CCC[C@@H]([NH2+]CCCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001176057817 820437748 /nfs/dbraw/zinc/43/77/48/820437748.db2.gz STUDFKMERNVMCM-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CCn2cccn2)C1 ZINC001176058440 820437841 /nfs/dbraw/zinc/43/78/41/820437841.db2.gz XKKCRHCGCFIHQY-CYBMUJFWSA-N 2 0 279.388 -0.069 20 0 CBADRP CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176071519 820437983 /nfs/dbraw/zinc/43/79/83/820437983.db2.gz FNCKGIGUDUWNCS-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CCn1ncc(C[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001176071612 820438736 /nfs/dbraw/zinc/43/87/36/820438736.db2.gz GVVIGHDJVHGVGK-GFCCVEGCSA-N 2 0 294.403 -0.154 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CCOCCO)C1 ZINC001176058606 820438678 /nfs/dbraw/zinc/43/86/78/820438678.db2.gz YYCDQGZDCYTPTA-LBPRGKRZSA-N 2 0 273.377 -0.957 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001176071802 820438788 /nfs/dbraw/zinc/43/87/88/820438788.db2.gz HYYFKYCGVMANLJ-ZDUSSCGKSA-N 2 0 296.415 -0.344 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176072312 820439022 /nfs/dbraw/zinc/43/90/22/820439022.db2.gz PEQCQQAFYNFDAC-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C[NH+]1CCCC1)C(=O)N(C)C ZINC001176109681 820441539 /nfs/dbraw/zinc/44/15/39/820441539.db2.gz CEFPAPJJWLMOCY-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C[NH+]1CCCC1)C(=O)NC1CC1 ZINC001176117506 820441647 /nfs/dbraw/zinc/44/16/47/820441647.db2.gz AHCJKHORZCCZAN-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP O=C(C[NH+]1CCCC1)NCCC[NH2+][C@H]1CCCNC1=O ZINC001176103293 820441898 /nfs/dbraw/zinc/44/18/98/820441898.db2.gz VRDNKSQGZBGWIL-LBPRGKRZSA-N 2 0 282.388 -0.543 20 0 CBADRP C[C@@H](O)C[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176160363 820442617 /nfs/dbraw/zinc/44/26/17/820442617.db2.gz CCVVLKTVDMKQMI-CHWSQXEVSA-N 2 0 287.404 -0.569 20 0 CBADRP Cc1nc(C)n(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])n1 ZINC001176905411 820478407 /nfs/dbraw/zinc/47/84/07/820478407.db2.gz KZCLSRJFKNAYPA-UHFFFAOYSA-N 2 0 267.337 -0.644 20 0 CBADRP O=C(CC[NH+]1CCCCC1)NCCC[NH2+][C@H]1CCNC1=O ZINC001176930414 820481735 /nfs/dbraw/zinc/48/17/35/820481735.db2.gz JUITVJNADGWGRC-ZDUSSCGKSA-N 2 0 296.415 -0.153 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001176980363 820484018 /nfs/dbraw/zinc/48/40/18/820484018.db2.gz DFQZFQPUNDIANA-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001176971709 820485109 /nfs/dbraw/zinc/48/51/09/820485109.db2.gz FYQHYBCYHVISPM-JTQLQIEISA-N 2 0 258.366 -0.704 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001176974976 820485164 /nfs/dbraw/zinc/48/51/64/820485164.db2.gz FMTHNUHIYQBHFI-LBPRGKRZSA-N 2 0 286.420 -0.101 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]Cc1nncn1C ZINC001176980583 820485274 /nfs/dbraw/zinc/48/52/74/820485274.db2.gz LEGXLMJAOUXWLW-UHFFFAOYSA-N 2 0 282.392 -0.249 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176975133 820485388 /nfs/dbraw/zinc/48/53/88/820485388.db2.gz KEPVVTAVNWGAPE-LLVKDONJSA-N 2 0 272.393 -0.443 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)Cc1ncccn1 ZINC001177379719 820509260 /nfs/dbraw/zinc/50/92/60/820509260.db2.gz MTSSIBCDOQFKRY-UHFFFAOYSA-N 2 0 250.306 -0.520 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)Cc1csc(NC=O)n1 ZINC001178034517 820556054 /nfs/dbraw/zinc/55/60/54/820556054.db2.gz FWAHOXSKTKEJKU-UHFFFAOYSA-N 2 0 298.372 -0.285 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001178356805 820577609 /nfs/dbraw/zinc/57/76/09/820577609.db2.gz RWTZSPDLVOVPJE-RWMBFGLXSA-N 2 0 296.415 -0.252 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178360844 820578619 /nfs/dbraw/zinc/57/86/19/820578619.db2.gz RFPNNGNPHIHYSV-XDQVBPFNSA-N 2 0 299.415 -0.333 20 0 CBADRP CN1CCCC[C@@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001178697972 820596889 /nfs/dbraw/zinc/59/68/89/820596889.db2.gz RYNZLRCZBYZWLS-SNVBAGLBSA-N 2 0 255.366 -0.068 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CCN1CCOC1=O ZINC001178783808 820601263 /nfs/dbraw/zinc/60/12/63/820601263.db2.gz DIFIDDGEJNEORR-UHFFFAOYSA-N 2 0 271.321 -0.710 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001179008761 820614014 /nfs/dbraw/zinc/61/40/14/820614014.db2.gz RGYCSCGGVZHXON-LLVKDONJSA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)CC1 ZINC001179007799 820614097 /nfs/dbraw/zinc/61/40/97/820614097.db2.gz CRRPRBBXUPNGLG-NSHDSACASA-N 2 0 267.373 -0.083 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C)C(=O)N(C)C ZINC001179486088 820630070 /nfs/dbraw/zinc/63/00/70/820630070.db2.gz HQPHMAUNEMILAH-AVGNSLFASA-N 2 0 298.431 -0.006 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)COCC[NH+](C)C ZINC001179933232 820647021 /nfs/dbraw/zinc/64/70/21/820647021.db2.gz DLCHSZKSCDCJOI-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001179987187 820647537 /nfs/dbraw/zinc/64/75/37/820647537.db2.gz OIILRSMXTALDLY-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP NC(=O)C[NH2+]CCCCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001180068910 820651027 /nfs/dbraw/zinc/65/10/27/820651027.db2.gz QEGAFYAXJHNNBM-UHFFFAOYSA-N 2 0 296.415 -0.166 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180131976 820652680 /nfs/dbraw/zinc/65/26/80/820652680.db2.gz PQCRLSIOCYLVCY-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)[C@@H]1C ZINC001180226629 820655172 /nfs/dbraw/zinc/65/51/72/820655172.db2.gz DIKONGKOLNMGIQ-RWMBFGLXSA-N 2 0 296.415 -0.206 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H](C)[NH+]1CCCC1 ZINC001180583245 820695864 /nfs/dbraw/zinc/69/58/64/820695864.db2.gz WPYMXZGIPSCFPB-LLVKDONJSA-N 2 0 271.361 -0.179 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001181653330 820806226 /nfs/dbraw/zinc/80/62/26/820806226.db2.gz XXIGNSHLNHUDEG-AGIUHOORSA-N 2 0 285.388 -0.722 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001181653331 820806591 /nfs/dbraw/zinc/80/65/91/820806591.db2.gz XXIGNSHLNHUDEG-FRRDWIJNSA-N 2 0 285.388 -0.722 20 0 CBADRP COCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001181651291 820807197 /nfs/dbraw/zinc/80/71/97/820807197.db2.gz AKJASYLYCNUSGG-KGLIPLIRSA-N 2 0 299.415 -0.066 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001181651344 820807469 /nfs/dbraw/zinc/80/74/69/820807469.db2.gz BFHIYAVQKIKKQD-OLZOCXBDSA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001181652805 820807791 /nfs/dbraw/zinc/80/77/91/820807791.db2.gz QEFXFBKQFRGJGF-MNOVXSKESA-N 2 0 268.361 -0.983 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001181652801 820808604 /nfs/dbraw/zinc/80/86/04/820808604.db2.gz QEFXFBKQFRGJGF-GHMZBOCLSA-N 2 0 268.361 -0.983 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccc(=O)[nH]n1 ZINC001181704986 820815855 /nfs/dbraw/zinc/81/58/55/820815855.db2.gz NQGWNEFYCADCPU-SSDOTTSWSA-N 2 0 252.278 -0.635 20 0 CBADRP CC1(C)OC[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])O1 ZINC001181746939 820821872 /nfs/dbraw/zinc/82/18/72/820821872.db2.gz QXELCDFJULNNJI-QMMMGPOBSA-N 2 0 258.322 -0.401 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)COCCO ZINC001181800584 820832337 /nfs/dbraw/zinc/83/23/37/820832337.db2.gz QBYLESLIOIHPEK-UHFFFAOYSA-N 2 0 260.338 -0.941 20 0 CBADRP CC[NH+](CC)CCNC(=O)C1(O)CC[NH+](C)CC1 ZINC001182028937 820851814 /nfs/dbraw/zinc/85/18/14/820851814.db2.gz JHYMPTKCGZIFIW-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)C2(O)CC[NH+](C)CC2)C1 ZINC001182037080 820857933 /nfs/dbraw/zinc/85/79/33/820857933.db2.gz UDIIXYZCCIAIBG-NSHDSACASA-N 2 0 255.362 -0.489 20 0 CBADRP CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001182486956 820924024 /nfs/dbraw/zinc/92/40/24/820924024.db2.gz YYIWPUHTAKPHRY-IUODEOHRSA-N 2 0 298.431 -0.242 20 0 CBADRP CC(=O)N1CSC[C@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001183139273 820976113 /nfs/dbraw/zinc/97/61/13/820976113.db2.gz MRYLIIUOXQLHLV-VIFPVBQESA-N 2 0 287.389 -0.631 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183229546 820983701 /nfs/dbraw/zinc/98/37/01/820983701.db2.gz MDJCLNHAMYDSSQ-OLZOCXBDSA-N 2 0 299.415 -0.332 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183450302 820995247 /nfs/dbraw/zinc/99/52/47/820995247.db2.gz NOONMRGJOBOFRY-XQQFMLRXSA-N 2 0 298.431 -0.102 20 0 CBADRP C[C@@]1(O)C=C[C@@H](O)C(C(=O)N(CCCC[NH3+])C(N)=[NH2+])=C1 ZINC001183552823 821006326 /nfs/dbraw/zinc/00/63/26/821006326.db2.gz ULYBXAJOIATGOZ-ZWNOBZJWSA-N 2 0 282.344 -0.945 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001183647101 821011571 /nfs/dbraw/zinc/01/15/71/821011571.db2.gz DCMZOGHUHWXGFU-KGLIPLIRSA-N 2 0 299.415 -0.330 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001183647102 821011720 /nfs/dbraw/zinc/01/17/20/821011720.db2.gz DCMZOGHUHWXGFU-ZIAGYGMSSA-N 2 0 299.415 -0.330 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001183648773 821012068 /nfs/dbraw/zinc/01/20/68/821012068.db2.gz ZCCDYFNPKKMPPX-HZSPNIEDSA-N 2 0 299.415 -0.332 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)Cn2cncc2C)C1 ZINC001184301823 821066884 /nfs/dbraw/zinc/06/68/84/821066884.db2.gz PVPYGUSKGBBIMY-OLZOCXBDSA-N 2 0 296.371 -0.611 20 0 CBADRP C[NH+](C)C1(CC(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)CCCC1 ZINC001184629271 821081519 /nfs/dbraw/zinc/08/15/19/821081519.db2.gz VSHPKWQFQHUNES-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185085850 821097583 /nfs/dbraw/zinc/09/75/83/821097583.db2.gz NFXGXWATNYIRFA-VXGBXAGGSA-N 2 0 284.404 -0.502 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185230618 821103187 /nfs/dbraw/zinc/10/31/87/821103187.db2.gz WZXVLKRSDKBJOM-VXGBXAGGSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001185229788 821104038 /nfs/dbraw/zinc/10/40/38/821104038.db2.gz HHWUZUBENFDDDL-VXGBXAGGSA-N 2 0 294.399 -0.593 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001185229782 821104288 /nfs/dbraw/zinc/10/42/88/821104288.db2.gz HHWUZUBENFDDDL-NEPJUHHUSA-N 2 0 294.399 -0.593 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001185248632 821108334 /nfs/dbraw/zinc/10/83/34/821108334.db2.gz JBSVXMGLDOJJEM-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC001185255754 821111877 /nfs/dbraw/zinc/11/18/77/821111877.db2.gz AZYGQJIBGOWLST-FRRDWIJNSA-N 2 0 266.389 -0.748 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@H]1C[N@H+](C)CCN1C ZINC001185256580 821112353 /nfs/dbraw/zinc/11/23/53/821112353.db2.gz FDEDVEOXAVZJHP-CYBMUJFWSA-N 2 0 268.405 -0.214 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001185257932 821114235 /nfs/dbraw/zinc/11/42/35/821114235.db2.gz NXSVPVCWNYPIJR-MJBXVCDLSA-N 2 0 280.416 -0.215 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N(CC[NH3+])c1cccnc1 ZINC001185261343 821114338 /nfs/dbraw/zinc/11/43/38/821114338.db2.gz FIAMNFBJBHSUHK-CYBMUJFWSA-N 2 0 277.372 -0.381 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)Nc1cccnc1C[NH3+] ZINC001185267051 821119609 /nfs/dbraw/zinc/11/96/09/821119609.db2.gz LPALYAOKAKMNRK-GFCCVEGCSA-N 2 0 263.345 -0.275 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)NC[C@@H]1CC[NH+](C)C1 ZINC001185269507 821120516 /nfs/dbraw/zinc/12/05/16/821120516.db2.gz OOODKHZOQLJSTJ-RYUDHWBXSA-N 2 0 254.378 -0.700 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001185267557 821121616 /nfs/dbraw/zinc/12/16/16/821121616.db2.gz UUCWQQKLKLGJRF-CYBMUJFWSA-N 2 0 298.431 -0.411 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185385515 821126629 /nfs/dbraw/zinc/12/66/29/821126629.db2.gz PEAARSURVLCKSQ-ZIAGYGMSSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCO)C2)CC1 ZINC001185384324 821126866 /nfs/dbraw/zinc/12/68/66/821126866.db2.gz BBEMRBJWQAERNP-CYBMUJFWSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001185400727 821127037 /nfs/dbraw/zinc/12/70/37/821127037.db2.gz GEOXVOGNBDBABJ-VHSXEESVSA-N 2 0 256.350 -0.998 20 0 CBADRP Cc1nn(C)c(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c1F ZINC001185395527 821127295 /nfs/dbraw/zinc/12/72/95/821127295.db2.gz KWIBVMDXPPOCOL-UHFFFAOYSA-N 2 0 270.312 -0.058 20 0 CBADRP CN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001185400588 821127401 /nfs/dbraw/zinc/12/74/01/821127401.db2.gz DPHIJNTWJURYSX-NEPJUHHUSA-N 2 0 282.388 -0.641 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001185416114 821128097 /nfs/dbraw/zinc/12/80/97/821128097.db2.gz NSRVXMONBVXOBA-GFCCVEGCSA-N 2 0 297.403 -0.846 20 0 CBADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001185415894 821128416 /nfs/dbraw/zinc/12/84/16/821128416.db2.gz JIKQYGXIFFPKTE-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001185444826 821130786 /nfs/dbraw/zinc/13/07/86/821130786.db2.gz BZFWAKGTFMDDNH-STQMWFEESA-N 2 0 298.431 -0.112 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185446419 821130830 /nfs/dbraw/zinc/13/08/30/821130830.db2.gz MRWCZWPOIDZSAE-DGCLKSJQSA-N 2 0 284.404 -0.491 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001185651321 821137075 /nfs/dbraw/zinc/13/70/75/821137075.db2.gz XOCJKYZWBKSABE-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001185659689 821138024 /nfs/dbraw/zinc/13/80/24/821138024.db2.gz OJWVAXVFYJOHAJ-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001185715602 821140087 /nfs/dbraw/zinc/14/00/87/821140087.db2.gz GGORRDXTKKCFCY-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1)[NH+](C)C ZINC001185716413 821140147 /nfs/dbraw/zinc/14/01/47/821140147.db2.gz WVAJZDQJMGRSTP-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@H](O)COC)C1)[NH+](C)C ZINC001185715361 821140206 /nfs/dbraw/zinc/14/02/06/821140206.db2.gz CEERSULUDJUWBI-AGIUHOORSA-N 2 0 287.404 -0.476 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)CC)C1)[NH+](C)C ZINC001185705398 821141082 /nfs/dbraw/zinc/14/10/82/821141082.db2.gz AOYLRSZFMBGTQS-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](O)C3)C[C@H]2C1 ZINC001186043908 821152847 /nfs/dbraw/zinc/15/28/47/821152847.db2.gz AZGAOBNONPFFAY-MCIONIFRSA-N 2 0 281.400 -0.147 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001186045094 821157345 /nfs/dbraw/zinc/15/73/45/821157345.db2.gz PYATUNSSNLMRIK-MBNYWOFBSA-N 2 0 267.373 -0.537 20 0 CBADRP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186056063 821164585 /nfs/dbraw/zinc/16/45/85/821164585.db2.gz BONVZBGOEZHZCE-GJZGRUSLSA-N 2 0 289.379 -0.035 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001186458835 821184383 /nfs/dbraw/zinc/18/43/83/821184383.db2.gz QYXJYSPGVSOHSB-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001186496805 821185136 /nfs/dbraw/zinc/18/51/36/821185136.db2.gz RIPZAYFEDNUBCQ-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001186497148 821185640 /nfs/dbraw/zinc/18/56/40/821185640.db2.gz ZCFNJFXIMGBVIA-CYBMUJFWSA-N 2 0 294.403 -0.190 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001186824928 821199153 /nfs/dbraw/zinc/19/91/53/821199153.db2.gz RBKBODHWWSATFX-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186808329 821199373 /nfs/dbraw/zinc/19/93/73/821199373.db2.gz MOLHGYOGSKQOHM-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001187083757 821212150 /nfs/dbraw/zinc/21/21/50/821212150.db2.gz OSJRWSGCVZFDRN-ZIAGYGMSSA-N 2 0 299.415 -0.472 20 0 CBADRP CO[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187122468 821214354 /nfs/dbraw/zinc/21/43/54/821214354.db2.gz TXWQXAHRHNKGTQ-QWHCGFSZSA-N 2 0 287.404 -0.210 20 0 CBADRP CNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001280294882 828347415 /nfs/dbraw/zinc/34/74/15/828347415.db2.gz GLUWFOLZERDXHO-CHWSQXEVSA-N 2 0 296.415 -0.488 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001187276439 822263455 /nfs/dbraw/zinc/26/34/55/822263455.db2.gz JSQZHUSRQQIDNZ-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187834397 822297745 /nfs/dbraw/zinc/29/77/45/822297745.db2.gz BYZJHJKBVHIKSA-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187835425 822298545 /nfs/dbraw/zinc/29/85/45/822298545.db2.gz XOBSKVRHMLXSNH-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP COCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187825494 822298833 /nfs/dbraw/zinc/29/88/33/822298833.db2.gz NQCVJXPBIQRNDI-UONOGXRCSA-N 2 0 299.415 -0.208 20 0 CBADRP CC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001281821333 828426564 /nfs/dbraw/zinc/42/65/64/828426564.db2.gz ULKCXZYPLWEXJU-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H](C)[NH2+]CCO ZINC001282141508 828436448 /nfs/dbraw/zinc/43/64/48/828436448.db2.gz OKLXOUARIZVQEK-GHMZBOCLSA-N 2 0 257.378 -0.054 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001282450665 828447547 /nfs/dbraw/zinc/44/75/47/828447547.db2.gz VTEKXZZQNMEZQP-QWRGUYRKSA-N 2 0 298.387 -0.820 20 0 CBADRP COCC[NH2+][C@H](C)[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001282928870 828472738 /nfs/dbraw/zinc/47/27/38/828472738.db2.gz MGEQYTMJMBMLKE-ZIAGYGMSSA-N 2 0 299.415 -0.066 20 0 CBADRP C[C@@H]([NH2+]CCCO)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001282927399 828473036 /nfs/dbraw/zinc/47/30/36/828473036.db2.gz FVKMOKFUNGQDBX-KGLIPLIRSA-N 2 0 299.415 -0.330 20 0 CBADRP C[C@H]([NH2+]CCCO)[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001282927400 828473108 /nfs/dbraw/zinc/47/31/08/828473108.db2.gz FVKMOKFUNGQDBX-UONOGXRCSA-N 2 0 299.415 -0.330 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCOC1CCC1 ZINC001283747226 828541575 /nfs/dbraw/zinc/54/15/75/828541575.db2.gz SIVAVNWMAJNLMQ-OCCSQVGLSA-N 2 0 299.415 -0.284 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCOC1CCC1 ZINC001283747219 828542207 /nfs/dbraw/zinc/54/22/07/828542207.db2.gz SIVAVNWMAJNLMQ-GXTWGEPZSA-N 2 0 299.415 -0.284 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCOC1CCC1 ZINC001283747227 828542222 /nfs/dbraw/zinc/54/22/22/828542222.db2.gz SIVAVNWMAJNLMQ-TZMCWYRMSA-N 2 0 299.415 -0.284 20 0 CBADRP CCOCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001283793833 828549254 /nfs/dbraw/zinc/54/92/54/828549254.db2.gz XHMVAIOTXXYOOK-VXGBXAGGSA-N 2 0 273.377 -0.816 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189054555 823731433 /nfs/dbraw/zinc/73/14/33/823731433.db2.gz FWHWQPAYCWCMAI-RWMBFGLXSA-N 2 0 296.415 -0.265 20 0 CBADRP COc1cc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c(OC)nn1 ZINC001189077811 823732608 /nfs/dbraw/zinc/73/26/08/823732608.db2.gz CVGVUABSTWWCTA-UHFFFAOYSA-N 2 0 296.331 -0.432 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCO)[C@H]1C ZINC001283941366 828561033 /nfs/dbraw/zinc/56/10/33/828561033.db2.gz XEGFFZDZBABGIZ-NEPJUHHUSA-N 2 0 257.378 -0.102 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H](N(C)CC(=O)N(C)C)C1)[NH+](C)C ZINC001190898488 823859305 /nfs/dbraw/zinc/85/93/05/823859305.db2.gz CJGJVUVJRPNOMF-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cn[nH]c(=O)c1 ZINC001191576772 823906086 /nfs/dbraw/zinc/90/60/86/823906086.db2.gz XSVBSWAUYUUXHX-UHFFFAOYSA-N 2 0 252.278 -0.743 20 0 CBADRP COC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191728479 823918771 /nfs/dbraw/zinc/91/87/71/823918771.db2.gz ZLGGOPJJKIVEHO-HZSPNIEDSA-N 2 0 299.415 -0.379 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001192038869 823941957 /nfs/dbraw/zinc/94/19/57/823941957.db2.gz TXJOJLABAFQZOL-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H](C(=O)N(C)C)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170783 823954753 /nfs/dbraw/zinc/95/47/53/823954753.db2.gz QPUGSAXSNYMRRV-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170110 823954811 /nfs/dbraw/zinc/95/48/11/823954811.db2.gz HJDTUJQMVVERMQ-NWDGAFQWSA-N 2 0 284.404 -0.395 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@H](C)C(N)=O)C1 ZINC001193278130 824017793 /nfs/dbraw/zinc/01/77/93/824017793.db2.gz FAOYQVWFWVTTOS-VXGBXAGGSA-N 2 0 284.404 -0.265 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)CC(N)=O)C1 ZINC001193289827 824017855 /nfs/dbraw/zinc/01/78/55/824017855.db2.gz ABZRLZWULQYAKK-LLVKDONJSA-N 2 0 270.377 -0.654 20 0 CBADRP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001284470484 828600101 /nfs/dbraw/zinc/60/01/01/828600101.db2.gz VLZOAGZTWIWFHH-NWDGAFQWSA-N 2 0 257.378 -0.245 20 0 CBADRP CNC(=O)CN(C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193570724 824034820 /nfs/dbraw/zinc/03/48/20/824034820.db2.gz LBPDLNPDGSYVRH-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O)C1CC1 ZINC001193780909 824045640 /nfs/dbraw/zinc/04/56/40/824045640.db2.gz HNPMIRLTHZHCRI-MCIONIFRSA-N 2 0 281.400 -0.102 20 0 CBADRP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193929658 824050973 /nfs/dbraw/zinc/05/09/73/824050973.db2.gz MNKHOPYQMGRXTO-UPJWGTAASA-N 2 0 287.404 -0.620 20 0 CBADRP COC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039202 824056208 /nfs/dbraw/zinc/05/62/08/824056208.db2.gz LJXQLUOZTPYNNN-ZIAGYGMSSA-N 2 0 299.415 -0.378 20 0 CBADRP CCn1cccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c1=O ZINC001194481907 824076317 /nfs/dbraw/zinc/07/63/17/824076317.db2.gz SIEYWCDDPCLGJX-UHFFFAOYSA-N 2 0 279.344 -0.057 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001195284144 824108946 /nfs/dbraw/zinc/10/89/46/824108946.db2.gz PUPHKVYNARJUMQ-UONOGXRCSA-N 2 0 299.415 -0.378 20 0 CBADRP CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195661105 824127538 /nfs/dbraw/zinc/12/75/38/824127538.db2.gz HMLCEBUWGMWWGW-JHJVBQTASA-N 2 0 299.415 -0.476 20 0 CBADRP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195676631 824127569 /nfs/dbraw/zinc/12/75/69/824127569.db2.gz GYJDHDNEIVEUJD-CHWSQXEVSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869398 824135727 /nfs/dbraw/zinc/13/57/27/824135727.db2.gz CIMCZZHZHMJBBI-QJPTWQEYSA-N 2 0 273.377 -0.866 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[N@H+](CCn2cncn2)CC1 ZINC001197049435 824176955 /nfs/dbraw/zinc/17/69/55/824176955.db2.gz QGRXIIFEXCVRJD-UHFFFAOYSA-N 2 0 294.403 -0.236 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1O ZINC001197048753 824177531 /nfs/dbraw/zinc/17/75/31/824177531.db2.gz FXQPRYHEGUJRGJ-VXGBXAGGSA-N 2 0 273.377 -0.864 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](C)OC)C[C@H]1O ZINC001198028665 824215173 /nfs/dbraw/zinc/21/51/73/824215173.db2.gz FNDFAXIBEZIEIL-YNEHKIRRSA-N 2 0 287.404 -0.476 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001198097401 824218239 /nfs/dbraw/zinc/21/82/39/824218239.db2.gz ACDNCQCWLOTEJV-UONOGXRCSA-N 2 0 299.415 -0.520 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001198098216 824219217 /nfs/dbraw/zinc/21/92/17/824219217.db2.gz RMVXQWVNRSMYDI-CQSZACIVSA-N 2 0 299.415 -0.376 20 0 CBADRP C[C@@H](O)C[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001284854943 828624919 /nfs/dbraw/zinc/62/49/19/828624919.db2.gz SEELEAKNNVWCJZ-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CCOCC[NH2+]C1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001199942940 824296816 /nfs/dbraw/zinc/29/68/16/824296816.db2.gz BNVAQDYXBXTREH-AWEZNQCLSA-N 2 0 299.415 -0.066 20 0 CBADRP C[N@H+](CC(=O)N1CCCO[C@H](C[NH2+]CCO)C1)C1CCC1 ZINC001200704633 824324782 /nfs/dbraw/zinc/32/47/82/824324782.db2.gz ODOIXDOAFDWHHO-CQSZACIVSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC001201321174 824331374 /nfs/dbraw/zinc/33/13/74/824331374.db2.gz GPLDKZHZQFHGBP-UHFFFAOYSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH+](C)CCC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201333736 824331541 /nfs/dbraw/zinc/33/15/41/824331541.db2.gz CDFSKVMMHZMFEZ-LBPRGKRZSA-N 2 0 273.377 -0.863 20 0 CBADRP COCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202056751 824340484 /nfs/dbraw/zinc/34/04/84/824340484.db2.gz BKIBREPMOOSYOB-KBPBESRZSA-N 2 0 299.415 -0.208 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CCCO)C2)C1 ZINC001202058268 824341602 /nfs/dbraw/zinc/34/16/02/824341602.db2.gz JJBXIJWFHBNKCA-ZIAGYGMSSA-N 2 0 299.415 -0.472 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001202166004 824341823 /nfs/dbraw/zinc/34/18/23/824341823.db2.gz UCFYUKARLONJIR-CYBMUJFWSA-N 2 0 287.404 -0.474 20 0 CBADRP CN(C)C(=O)C[NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001202217836 824342395 /nfs/dbraw/zinc/34/23/95/824342395.db2.gz WEGQJXWOUXWAIX-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC001202217768 824342565 /nfs/dbraw/zinc/34/25/65/824342565.db2.gz UKQKBRVEKHYAHT-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001202315833 824346625 /nfs/dbraw/zinc/34/66/25/824346625.db2.gz GCLIYCTXKGKVNY-LBPRGKRZSA-N 2 0 282.388 -0.593 20 0 CBADRP CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001202353320 824346652 /nfs/dbraw/zinc/34/66/52/824346652.db2.gz HVERRWFZRJABPH-CQSZACIVSA-N 2 0 298.431 -0.101 20 0 CBADRP Cn1ncnc1C[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202315703 824346675 /nfs/dbraw/zinc/34/66/75/824346675.db2.gz DZOHSXXMOGGWAJ-UHFFFAOYSA-N 2 0 294.403 -0.153 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C[C@@H]1CCC(=O)N1 ZINC001202863771 824353516 /nfs/dbraw/zinc/35/35/16/824353516.db2.gz IQYSIBBZVTVKMI-LBPRGKRZSA-N 2 0 256.394 -0.310 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203323286 824361356 /nfs/dbraw/zinc/36/13/56/824361356.db2.gz CPXOTXKYWJELND-NEPJUHHUSA-N 2 0 296.415 -0.170 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203330240 824361819 /nfs/dbraw/zinc/36/18/19/824361819.db2.gz FFQHGUGLKQULAD-UHFFFAOYSA-N 2 0 287.404 -0.208 20 0 CBADRP CNC(=O)C[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203705458 824362820 /nfs/dbraw/zinc/36/28/20/824362820.db2.gz WHXUZZRUPADYDV-UHFFFAOYSA-N 2 0 282.388 -0.591 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC([NH2+]CCOCCO)CC1 ZINC001203709266 824363183 /nfs/dbraw/zinc/36/31/83/824363183.db2.gz PPNOSYXPGZPVOW-UHFFFAOYSA-N 2 0 299.415 -0.328 20 0 CBADRP CNC(=O)C[NH2+]C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001203925513 824363661 /nfs/dbraw/zinc/36/36/61/824363661.db2.gz QOLKRHTYBUBRPO-UHFFFAOYSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC001203925483 824363831 /nfs/dbraw/zinc/36/38/31/824363831.db2.gz PJANWYBMBNVDDZ-NSHDSACASA-N 2 0 284.404 -0.219 20 0 CBADRP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3C[C@@H]4[C@@H](C[NH3+])[C@@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001204918293 824372507 /nfs/dbraw/zinc/37/25/07/824372507.db2.gz BDQGPFHFODQXPS-LMEMUVGESA-N 2 0 284.356 -0.640 20 0 CBADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2c[nH]c(=O)[nH]c2=O)CC1 ZINC001205241679 824376473 /nfs/dbraw/zinc/37/64/73/824376473.db2.gz UPBVZTNKSKYNJF-LBPRGKRZSA-N 2 0 268.317 -0.437 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CCCC[C@](O)(C[NH3+])C2)O1 ZINC001205664148 824380548 /nfs/dbraw/zinc/38/05/48/824380548.db2.gz MPWWCAPUZUNVGC-AAEUAGOBSA-N 2 0 257.378 -0.113 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206275221 824396568 /nfs/dbraw/zinc/39/65/68/824396568.db2.gz PZPLGVRGQVQGAZ-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP CNC(=O)C[NH2+]CC1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001206404326 824398843 /nfs/dbraw/zinc/39/88/43/824398843.db2.gz YOHQOUFGWVMSFS-UHFFFAOYSA-N 2 0 293.371 -0.474 20 0 CBADRP Cn1cc(CN2CCCC[C@](F)(C[NH3+])C2)c(=O)n(C)c1=O ZINC001206362187 824398936 /nfs/dbraw/zinc/39/89/36/824398936.db2.gz NABGWEBFWSRRLV-AWEZNQCLSA-N 2 0 298.362 -0.263 20 0 CBADRP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001206519444 824401725 /nfs/dbraw/zinc/40/17/25/824401725.db2.gz LIWDAVRKTXXDSW-RYUDHWBXSA-N 2 0 274.328 -0.382 20 0 CBADRP C[C@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206512633 824401871 /nfs/dbraw/zinc/40/18/71/824401871.db2.gz RYXMOTMOGMDULP-BFVZDQMLSA-N 2 0 293.367 -0.643 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206653678 824404448 /nfs/dbraw/zinc/40/44/48/824404448.db2.gz MCQUVKMMBCQBNX-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP C[C@H]([NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1)C(N)=O ZINC001206929151 824413165 /nfs/dbraw/zinc/41/31/65/824413165.db2.gz WKZMLKVRHHVODP-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP CN1CCN(C2C[NH+](CC3CC[NH2+]CC3)C2)CC1=O ZINC001207439075 824427528 /nfs/dbraw/zinc/42/75/28/824427528.db2.gz KUENSNHXYIIPNW-UHFFFAOYSA-N 2 0 266.389 -0.556 20 0 CBADRP COC(=O)CN1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001207437490 824427842 /nfs/dbraw/zinc/42/78/42/824427842.db2.gz IZVMHFQAVSBHQJ-UHFFFAOYSA-N 2 0 255.362 -0.223 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207688009 824433947 /nfs/dbraw/zinc/43/39/47/824433947.db2.gz KYECMCRLBMCKKT-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207684215 824434451 /nfs/dbraw/zinc/43/44/51/824434451.db2.gz KNUUJWUGHJMKOU-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH+]1CCC(C)(C[N@@H+]2CCO[C@H](C(N)=O)C2)CC1 ZINC001208110154 824446044 /nfs/dbraw/zinc/44/60/44/824446044.db2.gz WRIZTPWYDZHMNF-NSHDSACASA-N 2 0 255.362 -0.096 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070076 824446502 /nfs/dbraw/zinc/44/65/02/824446502.db2.gz CMTHEZJPVRQMKA-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001208373313 824452006 /nfs/dbraw/zinc/45/20/06/824452006.db2.gz HYCILFFLXMHZGC-OCCSQVGLSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208447913 824452652 /nfs/dbraw/zinc/45/26/52/824452652.db2.gz RRBQYQYPZTYLSN-JHJVBQTASA-N 2 0 298.431 -0.101 20 0 CBADRP CC[NH+]1CCC(C[NH+]2CCN(CC(N)=O)CC2)CC1 ZINC001208599844 824456998 /nfs/dbraw/zinc/45/69/98/824456998.db2.gz CRZSQLJXGQIIQO-UHFFFAOYSA-N 2 0 268.405 -0.179 20 0 CBADRP COC(=O)[C@H](C)C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001208720793 824458119 /nfs/dbraw/zinc/45/81/19/824458119.db2.gz LZQWQCWEAUBLLA-GFCCVEGCSA-N 2 0 285.388 -0.109 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)CC1 ZINC001209304538 824468198 /nfs/dbraw/zinc/46/81/98/824468198.db2.gz QQBNGEXSOIBNMK-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209420041 824471167 /nfs/dbraw/zinc/47/11/67/824471167.db2.gz RFANDZIDGUEDTP-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001209445043 824471204 /nfs/dbraw/zinc/47/12/04/824471204.db2.gz JWZIFRUBVPDMKY-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209454467 824471833 /nfs/dbraw/zinc/47/18/33/824471833.db2.gz LRORKHAKHAKBQW-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209455545 824471940 /nfs/dbraw/zinc/47/19/40/824471940.db2.gz USUPLAZQPWZJMR-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001209668106 824473736 /nfs/dbraw/zinc/47/37/36/824473736.db2.gz BGZCKERQOBKARM-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211229287 824483365 /nfs/dbraw/zinc/48/33/65/824483365.db2.gz SGRRMOBAUQIMIR-CYBMUJFWSA-N 2 0 296.415 -0.072 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001211286480 824484152 /nfs/dbraw/zinc/48/41/52/824484152.db2.gz UWMKNSCSCKLNHF-GFCCVEGCSA-N 2 0 257.378 -0.101 20 0 CBADRP NC1(c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)C[NH2+]C1 ZINC001212130085 824501002 /nfs/dbraw/zinc/50/10/02/824501002.db2.gz XMZXZXYPFCVOTI-UHFFFAOYSA-N 2 0 272.312 -0.466 20 0 CBADRP CCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213719091 824514753 /nfs/dbraw/zinc/51/47/53/824514753.db2.gz MZGPMCRHFRJUEE-CHWSQXEVSA-N 2 0 287.404 -0.210 20 0 CBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CCO ZINC001215423335 824541718 /nfs/dbraw/zinc/54/17/18/824541718.db2.gz HQOGJKNLLOHBQF-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213857712 824515900 /nfs/dbraw/zinc/51/59/00/824515900.db2.gz TYQNSDXCGLKQBG-MGPQQGTHSA-N 2 0 299.415 -0.210 20 0 CBADRP CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929690 824517284 /nfs/dbraw/zinc/51/72/84/824517284.db2.gz HLFBVXNVAGMCLM-YNEHKIRRSA-N 2 0 287.404 -0.477 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001215004243 824537803 /nfs/dbraw/zinc/53/78/03/824537803.db2.gz WANKFGYFMXDVMT-GHMZBOCLSA-N 2 0 284.404 -0.362 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215413757 824541497 /nfs/dbraw/zinc/54/14/97/824541497.db2.gz LLWWUPAGMRGQAJ-VXGBXAGGSA-N 2 0 296.415 -0.489 20 0 CBADRP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215455687 824541674 /nfs/dbraw/zinc/54/16/74/824541674.db2.gz BQZJPQREEXJVLK-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215422057 824541952 /nfs/dbraw/zinc/54/19/52/824541952.db2.gz VUQWRPWEZQVXET-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001215474450 824542162 /nfs/dbraw/zinc/54/21/62/824542162.db2.gz SEBKKLMRHYSGGY-YRGRVCCFSA-N 2 0 298.431 -0.245 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216757873 824549070 /nfs/dbraw/zinc/54/90/70/824549070.db2.gz PIVVFIXHDZQCCN-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCCO ZINC001216751963 824549533 /nfs/dbraw/zinc/54/95/33/824549533.db2.gz DLJFEEGEINIANQ-FRRDWIJNSA-N 2 0 269.389 -0.243 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216852270 824550223 /nfs/dbraw/zinc/55/02/23/824550223.db2.gz TVKSAUXACMRDLJ-JHJVBQTASA-N 2 0 298.431 -0.102 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001216851818 824550733 /nfs/dbraw/zinc/55/07/33/824550733.db2.gz JACDGAHYYFMBRH-GHMZBOCLSA-N 2 0 270.377 -0.752 20 0 CBADRP [NH3+]CCOCCOCCOCCO[C@H]1CC[NH2+]C1 ZINC001217822917 824562645 /nfs/dbraw/zinc/56/26/45/824562645.db2.gz RRGLZMUIIORGMP-LBPRGKRZSA-N 2 0 262.350 -0.627 20 0 CBADRP Cc1cnc(C)c(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001218496864 824570133 /nfs/dbraw/zinc/57/01/33/824570133.db2.gz PUVSNGLDCDDPAH-SNVBAGLBSA-N 2 0 261.329 -0.159 20 0 CBADRP Cn1cnc(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n1 ZINC001218501634 824571907 /nfs/dbraw/zinc/57/19/07/824571907.db2.gz JQNPQGNWCCCZSK-VIFPVBQESA-N 2 0 264.333 -0.372 20 0 CBADRP COc1nn(C)cc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218505512 824573662 /nfs/dbraw/zinc/57/36/62/824573662.db2.gz WJJBDWWBGSDBCW-ZETCQYMHSA-N 2 0 273.362 -0.614 20 0 CBADRP Cc1c(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cnn1C ZINC001218504290 824573783 /nfs/dbraw/zinc/57/37/83/824573783.db2.gz DUXSBPCOKJAEJR-LLVKDONJSA-N 2 0 280.376 -0.583 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cc[nH]n1 ZINC001218506508 824575539 /nfs/dbraw/zinc/57/55/39/824575539.db2.gz UFCVYSZTWXVXRA-VIFPVBQESA-N 2 0 252.322 -0.901 20 0 CBADRP CCOC(=O)c1cc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)[nH]n1 ZINC001218511152 824576509 /nfs/dbraw/zinc/57/65/09/824576509.db2.gz RPSNGQLJJVDIPG-LLVKDONJSA-N 2 0 295.343 -0.148 20 0 CBADRP O=C(Nc1[nH]nc2cccnc21)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218522686 824581804 /nfs/dbraw/zinc/58/18/04/824581804.db2.gz MRHRGFFXTRIJDS-MRVPVSSYSA-N 2 0 272.312 -0.295 20 0 CBADRP Cc1cc(NC(=O)[C@@H]([NH3+])CCC[NH3+])n2ncnc2n1 ZINC001218527941 824584441 /nfs/dbraw/zinc/58/44/41/824584441.db2.gz POQUBZXIQAATES-QMMMGPOBSA-N 2 0 263.305 -0.563 20 0 CBADRP COc1ccnc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001218527565 824584547 /nfs/dbraw/zinc/58/45/47/824584547.db2.gz HZEGDEPOVYVLFD-LBPRGKRZSA-N 2 0 293.371 -0.221 20 0 CBADRP [NH3+][C@@H]1CCc2nc(NC(=O)[C@H]3C[NH2+]C[C@H]3O)sc2C1 ZINC001218535008 824585165 /nfs/dbraw/zinc/58/51/65/824585165.db2.gz VWHYJJCRTJGXQP-BKPPORCPSA-N 2 0 282.369 -0.522 20 0 CBADRP [NH3+]CCCNCC(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218534257 824585520 /nfs/dbraw/zinc/58/55/20/824585520.db2.gz SBIFECHFHDVJHV-MRVPVSSYSA-N 2 0 283.401 -0.164 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)n1c(N)csc1=N ZINC001218541780 824586651 /nfs/dbraw/zinc/58/66/51/824586651.db2.gz UOZKYDWBVNDRHA-ZETCQYMHSA-N 2 0 257.363 -0.032 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ncccc1O ZINC001218540388 824586668 /nfs/dbraw/zinc/58/66/68/824586668.db2.gz WZFDGXKMXYUBOR-ZETCQYMHSA-N 2 0 256.331 -0.255 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218550738 824588507 /nfs/dbraw/zinc/58/85/07/824588507.db2.gz LSIFPKNLPWFNDY-HZSPNIEDSA-N 2 0 299.415 -0.379 20 0 CBADRP CCOC(=O)c1[nH]cnc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218560420 824591955 /nfs/dbraw/zinc/59/19/55/824591955.db2.gz YXBKAFGKLXUMBE-QMMMGPOBSA-N 2 0 283.332 -0.019 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ncnn2cccc12 ZINC001218564357 824592983 /nfs/dbraw/zinc/59/29/83/824592983.db2.gz HZMGEPLHFKSXES-QMMMGPOBSA-N 2 0 280.357 -0.891 20 0 CBADRP [NH3+][C@H](C(=O)Nc1ncnn2cccc12)C1CC[NH2+]CC1 ZINC001218564943 824593008 /nfs/dbraw/zinc/59/30/08/824593008.db2.gz MVEVOZYEWRTTQG-NSHDSACASA-N 2 0 274.328 -0.583 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)Nc1ncnn2cccc12 ZINC001218564481 824593040 /nfs/dbraw/zinc/59/30/40/824593040.db2.gz IWVZMCGYZKBZKT-VIFPVBQESA-N 2 0 271.284 -0.617 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1[nH]nc2nccnc21 ZINC001218569164 824595086 /nfs/dbraw/zinc/59/50/86/824595086.db2.gz UTAUEQWANKUTDH-QMMMGPOBSA-N 2 0 277.332 -0.040 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1nccnc1N1CCOCC1 ZINC001218569949 824595280 /nfs/dbraw/zinc/59/52/80/824595280.db2.gz BUWQYFNZWNXLLJ-SNVBAGLBSA-N 2 0 294.359 -0.682 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)Nc1cc(OCC2CC2)n[nH]1 ZINC001218578519 824597662 /nfs/dbraw/zinc/59/76/62/824597662.db2.gz KPTIWOUFMUUGCV-QMMMGPOBSA-N 2 0 253.306 -0.187 20 0 CBADRP N=c1ccc(F)c(N)n1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218603862 824602113 /nfs/dbraw/zinc/60/21/13/824602113.db2.gz IFFPSRJZNAELMJ-SSDOTTSWSA-N 2 0 265.292 -0.862 20 0 CBADRP COc1ncc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])cn1 ZINC001218594426 824602572 /nfs/dbraw/zinc/60/25/72/824602572.db2.gz YMSYNHYRPZMLAP-QMMMGPOBSA-N 2 0 271.346 -0.557 20 0 CBADRP COC(=O)Cn1cc(NC(=O)[C@@H]([NH3+])CCC[NH3+])cn1 ZINC001218609974 824603130 /nfs/dbraw/zinc/60/31/30/824603130.db2.gz LTQYCEXXCNZBBT-VIFPVBQESA-N 2 0 269.305 -0.939 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ccnc2c1CCC2 ZINC001218619526 824604432 /nfs/dbraw/zinc/60/44/32/824604432.db2.gz CENJJMYPDGRYFP-JTQLQIEISA-N 2 0 280.397 -0.050 20 0 CBADRP CCOc1cnc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])cn1 ZINC001218620221 824604639 /nfs/dbraw/zinc/60/46/39/824604639.db2.gz JMYOQQUNOPJXOE-QMMMGPOBSA-N 2 0 285.373 -0.167 20 0 CBADRP CCOc1cnc(NC(=O)[C@H]([NH3+])CCC[NH3+])cn1 ZINC001218620387 824606685 /nfs/dbraw/zinc/60/66/85/824606685.db2.gz LNWZZVGBWNDXOG-MRVPVSSYSA-N 2 0 253.306 -0.120 20 0 CBADRP Cn1ncc(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n1 ZINC001218625896 824607650 /nfs/dbraw/zinc/60/76/50/824607650.db2.gz AJSCUVLHQGXBOR-VIFPVBQESA-N 2 0 264.333 -0.372 20 0 CBADRP CN(C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1nccnc1N ZINC001218623493 824607826 /nfs/dbraw/zinc/60/78/26/824607826.db2.gz OVQUOALJXVMNLM-NOZJJQNGSA-N 2 0 276.344 -0.779 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1c[nH]cn1 ZINC001218631448 824608617 /nfs/dbraw/zinc/60/86/17/824608617.db2.gz JNUDTOLLYGXYEI-VIFPVBQESA-N 2 0 252.322 -0.901 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1c[nH]cn1 ZINC001218631447 824608634 /nfs/dbraw/zinc/60/86/34/824608634.db2.gz JNUDTOLLYGXYEI-SECBINFHSA-N 2 0 252.322 -0.901 20 0 CBADRP COc1nccc(N)c1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218634289 824610267 /nfs/dbraw/zinc/61/02/67/824610267.db2.gz RKQLJDBEUFMFSH-QMMMGPOBSA-N 2 0 285.373 -0.370 20 0 CBADRP Cc1ncnc(C)c1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218638164 824611657 /nfs/dbraw/zinc/61/16/57/824611657.db2.gz MNQULICWRWJTFD-JTQLQIEISA-N 2 0 261.329 -0.159 20 0 CBADRP COC(=O)c1n[nH]c(C)c1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218639910 824612488 /nfs/dbraw/zinc/61/24/88/824612488.db2.gz ISVJNSCRXJKCPF-SSDOTTSWSA-N 2 0 269.305 -0.491 20 0 CBADRP COC(=O)c1n[nH]c(C)c1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218640007 824612911 /nfs/dbraw/zinc/61/29/11/824612911.db2.gz KURCUDVCPCQXQZ-MRVPVSSYSA-N 2 0 293.327 -0.748 20 0 CBADRP CCc1nccnc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218646809 824613855 /nfs/dbraw/zinc/61/38/55/824613855.db2.gz SCWZXBZCZHOLPM-VIFPVBQESA-N 2 0 261.329 -0.214 20 0 CBADRP Cc1nc(Cl)c(N)c(=N)n1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218642442 824613940 /nfs/dbraw/zinc/61/39/40/824613940.db2.gz VUAOPWRCKDCNIT-QMMMGPOBSA-N 2 0 298.778 -0.126 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1cn[nH]c(=O)c1 ZINC001218651471 824615505 /nfs/dbraw/zinc/61/55/05/824615505.db2.gz AGDAUZZVVQVTPC-ZETCQYMHSA-N 2 0 257.319 -0.860 20 0 CBADRP COc1ncnc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c1OC ZINC001218652088 824615866 /nfs/dbraw/zinc/61/58/66/824615866.db2.gz BRUCDOWZJHRRNV-MRVPVSSYSA-N 2 0 293.327 -0.759 20 0 CBADRP Cc1c[nH]c(=O)cc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218651375 824616059 /nfs/dbraw/zinc/61/60/59/824616059.db2.gz IMAOSXHVPKHFEX-NSHDSACASA-N 2 0 293.371 -0.215 20 0 CBADRP Cc1c[nH]c(=O)cc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218651989 824616191 /nfs/dbraw/zinc/61/61/91/824616191.db2.gz SMLABIJVANZWIW-SECBINFHSA-N 2 0 262.313 -0.157 20 0 CBADRP O=C(Nc1ccn2cnnc2c1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218657215 824617400 /nfs/dbraw/zinc/61/74/00/824617400.db2.gz DYKKBOYEKCZEIM-SNVBAGLBSA-N 2 0 272.312 -0.523 20 0 CBADRP O=Nc1c(=O)[nH]c(=O)[nH]c1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218670199 824619626 /nfs/dbraw/zinc/61/96/26/824619626.db2.gz ARSYFWKCYSIDSX-RXMQYKEDSA-N 2 0 294.271 -0.967 20 0 CBADRP Cc1cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cc(=O)o1 ZINC001218681270 824622061 /nfs/dbraw/zinc/62/20/61/824622061.db2.gz AJUZMGJYSZHWST-SNVBAGLBSA-N 2 0 263.297 -0.304 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)n1ccc(=[NH2+])c(N)c1 ZINC001218691507 824622206 /nfs/dbraw/zinc/62/22/06/824622206.db2.gz LHXJZRQJGDGPBX-NSHDSACASA-N 3 0 251.334 -0.093 20 0 CBADRP COCn1cc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cn1 ZINC001218700257 824623503 /nfs/dbraw/zinc/62/35/03/824623503.db2.gz HKVSMAHLAFSUFA-LBPRGKRZSA-N 2 0 296.375 -0.824 20 0 CBADRP COCn1cc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])cn1 ZINC001218700149 824623859 /nfs/dbraw/zinc/62/38/59/824623859.db2.gz DYZZYNDXHOHAMX-JTQLQIEISA-N 2 0 255.322 -0.118 20 0 CBADRP NC(=O)c1cnoc1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218702293 824624746 /nfs/dbraw/zinc/62/47/46/824624746.db2.gz NQSQIXANOWTTOD-VIFPVBQESA-N 2 0 293.327 -0.414 20 0 CBADRP COCn1cc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])cn1 ZINC001218701157 824625262 /nfs/dbraw/zinc/62/52/62/824625262.db2.gz QECLDPPMBYQZGA-VIFPVBQESA-N 2 0 273.362 -0.555 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)Nc1cc([C@H]2CCC[NH2+]2)no1 ZINC001218710225 824626628 /nfs/dbraw/zinc/62/66/28/824626628.db2.gz GOANDIZQJFEPPA-HTQZYQBOSA-N 2 0 254.290 -0.253 20 0 CBADRP O=C(Nc1cc([C@@H]2CCC[NH2+]2)no1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001218713481 824628032 /nfs/dbraw/zinc/62/80/32/824628032.db2.gz RZSPCVPJTHBEMO-KHQFGBGNSA-N 2 0 266.301 -0.240 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1 ZINC001218713659 824628164 /nfs/dbraw/zinc/62/81/64/824628164.db2.gz UIBXBNUOHKFSRK-CIUDSAMLSA-N 2 0 265.317 -0.416 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc[nH]1 ZINC001218716675 824628181 /nfs/dbraw/zinc/62/81/81/824628181.db2.gz ZKNKMQBZCSDIAO-SNVBAGLBSA-N 2 0 251.334 -0.296 20 0 CBADRP COc1cnc(Cl)c(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001218720394 824628591 /nfs/dbraw/zinc/62/85/91/824628591.db2.gz IBYGSIHZCJQZFK-SSDOTTSWSA-N 2 0 297.746 -0.114 20 0 CBADRP [NH3+]CCNCC(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218724736 824628742 /nfs/dbraw/zinc/62/87/42/824628742.db2.gz WGHIAAKUWGZIKB-UHFFFAOYSA-N 2 0 292.387 -0.504 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)C1 ZINC001218726825 824629175 /nfs/dbraw/zinc/62/91/75/824629175.db2.gz JWZXRNCJMYEHQA-JLLWLGSASA-N 2 0 291.355 -0.550 20 0 CBADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@H]1[NH2+]CC[C@@H]1O ZINC001218731260 824629340 /nfs/dbraw/zinc/62/93/40/824629340.db2.gz KEOUGPVYUZQTOJ-MDZLAQPJSA-N 2 0 292.339 -0.516 20 0 CBADRP Cc1cc(=O)c(N)c(C)n1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218718964 824629468 /nfs/dbraw/zinc/62/94/68/824629468.db2.gz ULLWAMLGURXPMC-VIFPVBQESA-N 2 0 252.318 -0.246 20 0 CBADRP CCN=c1ccc(N)cn1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218739372 824630786 /nfs/dbraw/zinc/63/07/86/824630786.db2.gz CHJYQUFJBFVIPN-JTQLQIEISA-N 2 0 251.334 -0.303 20 0 CBADRP CN(C)c1cc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])[nH]n1 ZINC001218743340 824632151 /nfs/dbraw/zinc/63/21/51/824632151.db2.gz QYDNYIMVGAIBQU-QMMMGPOBSA-N 2 0 254.338 -0.130 20 0 CBADRP Cc1cnn(CCO)c1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218750823 824632788 /nfs/dbraw/zinc/63/27/88/824632788.db2.gz WCXPJHZNIZJUEB-VIFPVBQESA-N 2 0 287.389 -0.858 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1cc2n(n1)CC(F)(F)CO2 ZINC001218751157 824632914 /nfs/dbraw/zinc/63/29/14/824632914.db2.gz CGXVWBYHGVMESE-SSDOTTSWSA-N 2 0 289.286 -0.085 20 0 CBADRP Cc1cnn(CCO)c1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218754508 824634775 /nfs/dbraw/zinc/63/47/75/824634775.db2.gz QEBITHPEBPRTKL-BXUZGUMPSA-N 2 0 293.371 -0.679 20 0 CBADRP COc1nc(NC(=O)[C@H]([NH3+])CCC[NH3+])c(C)c(OC)n1 ZINC001218767477 824635482 /nfs/dbraw/zinc/63/54/82/824635482.db2.gz AJJZSMCDDYKARH-MRVPVSSYSA-N 2 0 283.332 -0.193 20 0 CBADRP CCOC(=O)c1nc(NC(=O)[C@@H]([NH3+])CCC[NH3+])c[nH]1 ZINC001218763744 824635509 /nfs/dbraw/zinc/63/55/09/824635509.db2.gz HEIWMYZKHPRLNE-ZETCQYMHSA-N 2 0 269.305 -0.409 20 0 CBADRP CNC(=O)c1cccnc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218764596 824635546 /nfs/dbraw/zinc/63/55/46/824635546.db2.gz QZPUVOZQWBPPAL-JTQLQIEISA-N 2 0 289.339 -0.811 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1cnc2nccn2c1 ZINC001218784905 824637260 /nfs/dbraw/zinc/63/72/60/824637260.db2.gz NIJJBFLNJAGATO-VIFPVBQESA-N 2 0 280.357 -0.313 20 0 CBADRP [NH3+][C@H](C(=O)Nc1cnc2nccn2c1)C1CC[NH2+]CC1 ZINC001218784948 824637548 /nfs/dbraw/zinc/63/75/48/824637548.db2.gz NOKFOIXBTICTSP-NSHDSACASA-N 2 0 274.328 -0.005 20 0 CBADRP Cn1nnc2cc(NC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)ccc21 ZINC001218876967 824643850 /nfs/dbraw/zinc/64/38/50/824643850.db2.gz DRTGYEGWLCMAFX-SNVBAGLBSA-N 2 0 286.339 -0.284 20 0 CBADRP NC(=O)Cc1cccc(NC(=O)[C@@H]([NH3+])CCC[NH3+])c1 ZINC001218955742 824649636 /nfs/dbraw/zinc/64/96/36/824649636.db2.gz YBMXGYAYKZALEP-NSHDSACASA-N 2 0 264.329 -0.281 20 0 CBADRP O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@@H]1C[NH2+]CCN1 ZINC001219119042 824664671 /nfs/dbraw/zinc/66/46/71/824664671.db2.gz UEMKMBHITMVRTE-AWEZNQCLSA-N 2 0 289.383 -0.404 20 0 CBADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)[C@H]1C[NH2+]CCN1 ZINC001219537320 824723234 /nfs/dbraw/zinc/72/32/34/824723234.db2.gz KZCFOMATUSEBNO-IRUJWGPZSA-N 2 0 288.351 -0.366 20 0 CBADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)[C@H]1[NH2+]CC[C@H]1O ZINC001219540209 824725171 /nfs/dbraw/zinc/72/51/71/824725171.db2.gz FCHOCXPQZUKSCB-IEQKNQBQSA-N 2 0 289.335 -0.204 20 0 CBADRP N[C@]1(C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@H]2O3)CC[NH2+]C1 ZINC001219538169 824725562 /nfs/dbraw/zinc/72/55/62/824725562.db2.gz VUHZBHKCKALRLA-TURKWSHLSA-N 2 0 288.351 -0.236 20 0 CBADRP CC[NH+](CC)CCNC(=O)CNC1CC[NH2+]CC1 ZINC001219554075 824727865 /nfs/dbraw/zinc/72/78/65/824727865.db2.gz UYMQENUXVSDYAY-UHFFFAOYSA-N 2 0 256.394 -0.214 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC001219554124 824727826 /nfs/dbraw/zinc/72/78/26/824727826.db2.gz XNRUMCURZXDZSS-QWRGUYRKSA-N 2 0 272.393 -0.458 20 0 CBADRP CC(C)OCCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219557774 824728916 /nfs/dbraw/zinc/72/89/16/824728916.db2.gz DAICILKVLWCWSE-DGCLKSJQSA-N 2 0 255.362 -0.273 20 0 CBADRP [NH3+][C@H](C(=O)NCCN1CCCCC1=O)C1CC[NH2+]CC1 ZINC001219569579 824732608 /nfs/dbraw/zinc/73/26/08/824732608.db2.gz XFGXSEIDQNRNPM-ZDUSSCGKSA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C[NH2+]1 ZINC001219579652 824735211 /nfs/dbraw/zinc/73/52/11/824735211.db2.gz CGFOEJUQSLQBAH-QXEWZRGKSA-N 2 0 251.334 -0.464 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCN3)C[NH2+]1 ZINC001219582906 824735698 /nfs/dbraw/zinc/73/56/98/824735698.db2.gz NUFQSTOBUNEDHA-NOHGZBONSA-N 2 0 252.362 -0.805 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[NH2+]1 ZINC001219582336 824735850 /nfs/dbraw/zinc/73/58/50/824735850.db2.gz BLLXXJQAJQPSPA-HHHUOAJASA-N 2 0 253.346 -0.523 20 0 CBADRP Cc1cc(C)n(CCNC(=O)[C@@H]([NH3+])CCC[NH3+])n1 ZINC001219595898 824738770 /nfs/dbraw/zinc/73/87/70/824738770.db2.gz VAVDLFMWJAWXGD-NSHDSACASA-N 2 0 253.350 -0.318 20 0 CBADRP Cc1ncc(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)s1 ZINC001219595519 824739341 /nfs/dbraw/zinc/73/93/41/824739341.db2.gz DKIIWASUKBWWNH-JTQLQIEISA-N 2 0 266.370 -0.123 20 0 CBADRP CC(C)[C@]1(C(=O)N(CC[NH3+])S(C)(=O)=O)CCC[NH2+]C1 ZINC001219595751 824739573 /nfs/dbraw/zinc/73/95/73/824739573.db2.gz NVZRBMGWRVAPFC-LBPRGKRZSA-N 2 0 291.417 -0.241 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])C(=O)C[C@@H]1CCC[NH2+]C1 ZINC001219595683 824739938 /nfs/dbraw/zinc/73/99/38/824739938.db2.gz KPOXEUHMUHGMEI-VIFPVBQESA-N 2 0 263.363 -0.877 20 0 CBADRP Cc1ccnc(CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)n1 ZINC001219600195 824740287 /nfs/dbraw/zinc/74/02/87/824740287.db2.gz KVQZDRKQMZWLFJ-GFCCVEGCSA-N 2 0 263.345 -0.272 20 0 CBADRP Cc1ccnc(CNC(=O)[C@@H]([NH3+])CCCC[NH3+])n1 ZINC001219599767 824740626 /nfs/dbraw/zinc/74/06/26/824740626.db2.gz FMULUNUMLUMZBI-JTQLQIEISA-N 2 0 251.334 -0.142 20 0 CBADRP Cc1cnc(CCNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)nc1 ZINC001219600706 824740657 /nfs/dbraw/zinc/74/06/57/824740657.db2.gz DDPTTXZBIWDEAE-NSHDSACASA-N 2 0 275.356 -0.747 20 0 CBADRP Cc1cccn2c(CNC(=O)[C@@H]([NH3+])CCC[NH3+])nnc12 ZINC001219597849 824740743 /nfs/dbraw/zinc/74/07/43/824740743.db2.gz WTCNGSIESIDJEK-JTQLQIEISA-N 2 0 276.344 -0.280 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@H](O)c1ccco1)C1CC[NH2+]CC1 ZINC001219603667 824850145 /nfs/dbraw/zinc/85/01/45/824850145.db2.gz CMMAWIDFYLICHH-JQWIXIFHSA-N 2 0 267.329 -0.244 20 0 CBADRP CS(=O)(=O)CCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219608246 824852521 /nfs/dbraw/zinc/85/25/21/824852521.db2.gz TYAWJNTXDCYCFO-JTQLQIEISA-N 2 0 289.401 -0.979 20 0 CBADRP Cc1nocc1CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219607816 824853465 /nfs/dbraw/zinc/85/34/65/824853465.db2.gz BWIKGIKTIMDCDX-JTQLQIEISA-N 2 0 250.302 -0.592 20 0 CBADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219610085 824854619 /nfs/dbraw/zinc/85/46/19/824854619.db2.gz KTCXCTJPCLUDOI-CHIQAWFVSA-N 2 0 263.263 -0.138 20 0 CBADRP NC1(C(=O)N[C@@]2(C(F)(F)F)CC[NH2+]C2)CC[NH2+]CC1 ZINC001219609885 824854634 /nfs/dbraw/zinc/85/46/34/824854634.db2.gz HFKRQKLSINCIDO-JTQLQIEISA-N 2 0 280.294 -0.522 20 0 CBADRP [NH3+][C@@H](C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC001219610071 824854720 /nfs/dbraw/zinc/85/47/20/824854720.db2.gz KMDKNCANPGBZFI-MWLCHTKSSA-N 3 0 294.321 -0.276 20 0 CBADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219610610 824854773 /nfs/dbraw/zinc/85/47/73/824854773.db2.gz PNBIBOXFNMYZGU-JMJZKYOTSA-N 2 0 292.305 -0.652 20 0 CBADRP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219610955 824854863 /nfs/dbraw/zinc/85/48/63/824854863.db2.gz UOCCXORUWMMCAB-ZKWXMUAHSA-N 2 0 267.251 -0.880 20 0 CBADRP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219610954 824854908 /nfs/dbraw/zinc/85/49/08/824854908.db2.gz UOCCXORUWMMCAB-BHNWBGBOSA-N 2 0 267.251 -0.880 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617666 824855882 /nfs/dbraw/zinc/85/58/82/824855882.db2.gz ODDBFQPLWABBPY-HNCHTBHHSA-N 2 0 273.352 -0.447 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[NH2+]C[C@H](F)C1 ZINC001219617622 824856293 /nfs/dbraw/zinc/85/62/93/824856293.db2.gz MZCBSXQUNIPMMX-MIZYBKAJSA-N 2 0 277.315 -0.887 20 0 CBADRP C[C@H]1CC[NH2+][C@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219617394 824856454 /nfs/dbraw/zinc/85/64/54/824856454.db2.gz MGDOKNXUDGYISM-MRBYEJRBSA-N 2 0 273.352 -0.447 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219616395 824857295 /nfs/dbraw/zinc/85/72/95/824857295.db2.gz ZXPIGIAJJPLOLQ-CMPLNLGQSA-N 2 0 261.341 -0.495 20 0 CBADRP O=C(C[C@H]1CC[NH2+]C[C@H]1F)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219619257 824858764 /nfs/dbraw/zinc/85/87/64/824858764.db2.gz DUBVVDWCKPPGQW-HNCHTBHHSA-N 2 0 291.342 -0.497 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC1 ZINC001219619653 824858813 /nfs/dbraw/zinc/85/88/13/824858813.db2.gz MOWQZARZAFNWJT-JOYOIKCWSA-N 2 0 259.325 -0.741 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1ccc(O)cc1 ZINC001219617950 824859256 /nfs/dbraw/zinc/85/92/56/824859256.db2.gz RXOZMLPYVHVFDA-SGMGOOAPSA-N 2 0 297.330 -0.429 20 0 CBADRP [NH3+]C[C@@H](C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1ccccc1 ZINC001219619187 824859597 /nfs/dbraw/zinc/85/95/97/824859597.db2.gz AVKMUFDEJUSGEE-VNHYZAJKSA-N 2 0 295.358 -0.092 20 0 CBADRP Cn1cnc(CCNC(=O)C[C@@H]([NH3+])CCCC[NH3+])c1 ZINC001219634531 824869119 /nfs/dbraw/zinc/86/91/19/824869119.db2.gz ZFBSXGAOWVNQLF-NSHDSACASA-N 2 0 267.377 -0.075 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001219642547 824869786 /nfs/dbraw/zinc/86/97/86/824869786.db2.gz VDJSYCOOFZJQAX-SGMGOOAPSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@]2(C)CC[NH2+]C[C@H]2O)C1 ZINC001219642259 824869821 /nfs/dbraw/zinc/86/98/21/824869821.db2.gz QSJWZEPDKOQFQB-SFTQSGBHSA-N 2 0 269.389 -0.291 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001219642279 824870030 /nfs/dbraw/zinc/87/00/30/824870030.db2.gz QYGAQWVLGDGOGV-RMRHIDDWSA-N 3 0 280.416 -0.453 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001219642424 824870232 /nfs/dbraw/zinc/87/02/32/824870232.db2.gz SRJJDSUDSDBDKL-CKIKVBCHSA-N 2 0 267.373 -0.417 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC001219642784 824872014 /nfs/dbraw/zinc/87/20/14/824872014.db2.gz XTEAFEGDZMISEY-QJPTWQEYSA-N 2 0 267.373 -0.131 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2C[NH2+]CCC2=O)C1 ZINC001219645355 824872064 /nfs/dbraw/zinc/87/20/64/824872064.db2.gz KTXIHMKNRBMXSI-DCAQKATOSA-N 2 0 253.346 -0.473 20 0 CBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219651157 824872689 /nfs/dbraw/zinc/87/26/89/824872689.db2.gz UDLAXDTWSZULBT-ZBAXXZLZSA-N 2 0 283.372 -0.501 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001219650548 824873377 /nfs/dbraw/zinc/87/33/77/824873377.db2.gz PFYMUAQPXGCUPW-WOPDTQHZSA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC001219650093 824873651 /nfs/dbraw/zinc/87/36/51/824873651.db2.gz MCPRITZAGNTUQO-QJPTWQEYSA-N 2 0 254.378 -0.748 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC001219650094 824873748 /nfs/dbraw/zinc/87/37/48/824873748.db2.gz MCPRITZAGNTUQO-SDDRHHMPSA-N 2 0 254.378 -0.748 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219651604 824874644 /nfs/dbraw/zinc/87/46/44/824874644.db2.gz WPEGJOFHUNRIOL-UMSGYPCISA-N 2 0 297.399 -0.253 20 0 CBADRP CN(C(=O)CCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C1CC1 ZINC001219692439 824879306 /nfs/dbraw/zinc/87/93/06/824879306.db2.gz AFHJVUCHCXNDMQ-IAQYHMDHSA-N 2 0 294.399 -0.687 20 0 CBADRP CN1CCO[C@@H](CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001219695263 824880808 /nfs/dbraw/zinc/88/08/08/824880808.db2.gz SOEXQBXRVQWPMD-RYUDHWBXSA-N 2 0 272.393 -0.720 20 0 CBADRP [NH3+]CC1CCC(C(=O)NCCC2(O)C[NH2+]C2)CC1 ZINC001219696533 824880876 /nfs/dbraw/zinc/88/08/76/824880876.db2.gz JXFURZKHRWDUOQ-UHFFFAOYSA-N 2 0 255.362 -0.408 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])CC(=O)NCCC1(O)C[NH2+]C1 ZINC001219696191 824881297 /nfs/dbraw/zinc/88/12/97/824881297.db2.gz BZFUBCOYXZEXCH-SNVBAGLBSA-N 2 0 273.377 -0.641 20 0 CBADRP CCOC(=O)CCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001219693045 824882161 /nfs/dbraw/zinc/88/21/61/824882161.db2.gz MMMSXZHHTSNEKI-NSHDSACASA-N 2 0 257.334 -0.617 20 0 CBADRP O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219705262 824883545 /nfs/dbraw/zinc/88/35/45/824883545.db2.gz FTPRDCBRACGBMY-KGLIPLIRSA-N 2 0 275.352 -0.471 20 0 CBADRP CC(C)[C@@]1(C(=O)N[C@@H]2COC[C@@H]2[NH3+])CCC[NH2+]C1 ZINC001219720012 824886712 /nfs/dbraw/zinc/88/67/12/824886712.db2.gz DCQVYBUDMJZLAS-DMDPSCGWSA-N 2 0 255.362 -0.146 20 0 CBADRP N[C@H](C[NH3+])c1ccc(C(=O)N[C@@H]2COC[C@@H]2[NH3+])cc1 ZINC001219720872 824886836 /nfs/dbraw/zinc/88/68/36/824886836.db2.gz UHAZFMIUGGSYIT-GRYCIOLGSA-N 2 0 264.329 -0.899 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219736849 824887968 /nfs/dbraw/zinc/88/79/68/824887968.db2.gz JFEIGPYTJBLHCL-JTQLQIEISA-N 2 0 283.376 -0.866 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741481 824888284 /nfs/dbraw/zinc/88/82/84/824888284.db2.gz LTDGGEDUORTGKH-WDEREUQCSA-N 2 0 271.361 -0.887 20 0 CBADRP C[C@]1(C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)CCC[NH2+]1 ZINC001219737337 824888477 /nfs/dbraw/zinc/88/84/77/824888477.db2.gz TUZXIANNROYCBG-CMPLNLGQSA-N 2 0 253.346 -0.377 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)CC[NH2+]C1 ZINC001219738958 824888554 /nfs/dbraw/zinc/88/85/54/824888554.db2.gz CRACMUMKMQSFGA-PWSUYJOCSA-N 2 0 253.346 -0.519 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219736987 824888779 /nfs/dbraw/zinc/88/87/79/824888779.db2.gz LXBMGYLCCXCYIY-GMTAPVOTSA-N 2 0 253.346 -0.392 20 0 CBADRP [NH3+][C@H]1CC[C@@H]1C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219748841 824889278 /nfs/dbraw/zinc/88/92/78/824889278.db2.gz DTEVCFAKNARTFN-IUCAKERBSA-N 2 0 264.333 -0.875 20 0 CBADRP N[C@]1(C(=O)NC[C@H]2CCC3(CC[NH2+]CC3)O2)CCC[NH2+]C1 ZINC001219743858 824889592 /nfs/dbraw/zinc/88/95/92/824889592.db2.gz NZDODGPABSWCNM-IUODEOHRSA-N 2 0 296.415 -0.515 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744636 824890086 /nfs/dbraw/zinc/89/00/86/824890086.db2.gz ZZYKJBCXSIWKKX-STQMWFEESA-N 3 0 298.431 -0.140 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2nnc3n2CCC[NH2+]C3)C1 ZINC001219748946 824890560 /nfs/dbraw/zinc/89/05/60/824890560.db2.gz DVYMQWJQYAPLEQ-MNOVXSKESA-N 2 0 292.387 -0.224 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219767637 824891119 /nfs/dbraw/zinc/89/11/19/824891119.db2.gz ASPNIIIMVUSVPO-JQWIXIFHSA-N 3 0 260.357 -0.349 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219766667 824891193 /nfs/dbraw/zinc/89/11/93/824891193.db2.gz ZFWDKCIXVZZUCL-AGIUHOORSA-N 2 0 298.431 -0.461 20 0 CBADRP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219768710 824892260 /nfs/dbraw/zinc/89/22/60/824892260.db2.gz PLQUFNWIJWCNEO-GWCFXTLKSA-N 3 0 270.352 -0.997 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764680 824892495 /nfs/dbraw/zinc/89/24/95/824892495.db2.gz JUZLIRNCOHAEGF-RFQIPJPRSA-N 2 0 280.416 -0.216 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1C[NH2+]CCC1=O ZINC001219777331 824892937 /nfs/dbraw/zinc/89/29/37/824892937.db2.gz GYTLHDJBWPLNHW-LLVKDONJSA-N 2 0 265.357 -0.187 20 0 CBADRP CCOC(=O)C1(C(=O)NC2CC3(C2)CC[NH2+]CC3)C[NH2+]C1 ZINC001219774730 824893351 /nfs/dbraw/zinc/89/33/51/824893351.db2.gz AGZASCGRLRMCBV-UHFFFAOYSA-N 2 0 295.383 -0.213 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1C[NH2+]CCC1=O ZINC001219777332 824893520 /nfs/dbraw/zinc/89/35/20/824893520.db2.gz GYTLHDJBWPLNHW-NSHDSACASA-N 2 0 265.357 -0.187 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)NC2CC3(C2)CC[NH2+]CC3)C1 ZINC001219777837 824893559 /nfs/dbraw/zinc/89/35/59/824893559.db2.gz RXFANAPPGTVFBN-KOLCDFICSA-N 2 0 252.362 -0.676 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219773221 824893840 /nfs/dbraw/zinc/89/38/40/824893840.db2.gz OBONBCMMHJROOF-NSHDSACASA-N 2 0 269.345 -0.475 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1C[NH2+]C[C@H]1O ZINC001219777544 824893891 /nfs/dbraw/zinc/89/38/91/824893891.db2.gz LKOSYAZEKGZRGH-WDEREUQCSA-N 2 0 253.346 -0.785 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777335 824894057 /nfs/dbraw/zinc/89/40/57/824894057.db2.gz GZMGKBSKIBIUDJ-JEOXALJRSA-N 2 0 287.429 -0.269 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805510 824894907 /nfs/dbraw/zinc/89/49/07/824894907.db2.gz LGZCMTPCYCKIKW-GRYCIOLGSA-N 2 0 255.362 -0.492 20 0 CBADRP N[C@]1(C(=O)NC2CC[NH+](C3CC[NH2+]CC3)CC2)CC[NH2+]C1 ZINC001219796355 824895072 /nfs/dbraw/zinc/89/50/72/824895072.db2.gz WYNDRZKYOCQCNA-OAHLLOKOSA-N 3 0 295.431 -0.990 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2O)CCC1 ZINC001219802007 824896113 /nfs/dbraw/zinc/89/61/13/824896113.db2.gz CKQHTNIVRFHLGB-NEPJUHHUSA-N 2 0 287.379 -0.008 20 0 CBADRP CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815716 824897426 /nfs/dbraw/zinc/89/74/26/824897426.db2.gz GUDIHVCHBGQSRH-KGLIPLIRSA-N 2 0 299.415 -0.332 20 0 CBADRP O=C(N[C@H]1C[NH2+]Cc2ccsc21)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219822624 824897591 /nfs/dbraw/zinc/89/75/91/824897591.db2.gz FGPBTHWTSVEXEL-GUBZILKMSA-N 2 0 267.354 -0.269 20 0 CBADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@H]1CC[NH2+]C[C@H]1F ZINC001219811703 824897725 /nfs/dbraw/zinc/89/77/25/824897725.db2.gz ZDQHJDHBXNAGTC-WCBMZHEXSA-N 2 0 282.319 -0.116 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219812880 824897957 /nfs/dbraw/zinc/89/79/57/824897957.db2.gz KFSFRUXXJJGSJJ-FMSGJZPZSA-N 2 0 267.373 -0.273 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219809969 824898041 /nfs/dbraw/zinc/89/80/41/824898041.db2.gz XRWRNSXZKRTBBJ-SECBINFHSA-N 3 0 267.333 -0.997 20 0 CBADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219812886 824898537 /nfs/dbraw/zinc/89/85/37/824898537.db2.gz KFSFRUXXJJGSJJ-UHXUPSOCSA-N 2 0 267.373 -0.273 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001219825095 824898926 /nfs/dbraw/zinc/89/89/26/824898926.db2.gz COAIPXZMJKQKOB-SNVBAGLBSA-N 3 0 268.386 -0.053 20 0 CBADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001219831247 824899293 /nfs/dbraw/zinc/89/92/93/824899293.db2.gz CXFRLLGSVOJCCP-OKDXSUHISA-N 2 0 295.383 -0.754 20 0 CBADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)C1CC[NH2+]CC1 ZINC001219831723 824899760 /nfs/dbraw/zinc/89/97/60/824899760.db2.gz VTLWHACOPILCRF-UTUOFQBUSA-N 2 0 253.346 -0.521 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001219826456 824900105 /nfs/dbraw/zinc/90/01/05/824900105.db2.gz RLMWZYHCUPWGQI-DTWKUNHWSA-N 2 0 254.359 -0.315 20 0 CBADRP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219823090 824900583 /nfs/dbraw/zinc/90/05/83/824900583.db2.gz KJSGHTSKRIMRHB-GHMZBOCLSA-N 3 0 292.408 -0.182 20 0 CBADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001219847609 824901172 /nfs/dbraw/zinc/90/11/72/824901172.db2.gz MLIAROIYLVWRMS-UHFZAUJKSA-N 2 0 271.336 -0.288 20 0 CBADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)C1CC2(C[NH2+]C2)C1 ZINC001219847985 824901203 /nfs/dbraw/zinc/90/12/03/824901203.db2.gz UNANDZWMXKXNFP-SDDRHHMPSA-N 2 0 265.357 -0.378 20 0 CBADRP C[NH2+][C@H](C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H](C)OC(C)(C)C ZINC001219853944 824902993 /nfs/dbraw/zinc/90/29/93/824902993.db2.gz AEJJMTACMZIWLT-LBELIVKGSA-N 2 0 299.415 -0.119 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CCC[NH2+]1 ZINC001219852088 824903003 /nfs/dbraw/zinc/90/30/03/824903003.db2.gz LKAABIFDWYOLTG-CIQGVGRVSA-N 2 0 267.373 -0.131 20 0 CBADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@H]1Cc2ccccc2C[NH2+]1 ZINC001219854249 824903325 /nfs/dbraw/zinc/90/33/25/824903325.db2.gz GKFBNHHDVIDWAK-APIJFGDWSA-N 2 0 287.363 -0.196 20 0 CBADRP [NH3+][C@H]1CC[C@@H]1C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219851804 824903454 /nfs/dbraw/zinc/90/34/54/824903454.db2.gz GCHZUJIJRNTQQE-UHFZAUJKSA-N 2 0 253.346 -0.536 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1C[NH2+]C[C@]12c1ccccc1NC2=O ZINC001219867207 824903926 /nfs/dbraw/zinc/90/39/26/824903926.db2.gz FZCCNVFYYUQLHW-HZMBPMFUSA-N 2 0 274.324 -0.829 20 0 CBADRP CC(C)OC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219881202 824907660 /nfs/dbraw/zinc/90/76/60/824907660.db2.gz STGWAZOIMFIPTO-UWVGGRQHSA-N 2 0 259.350 -0.101 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@]12C[C@@H]1CN(C(C)=O)C2 ZINC001219891195 824910597 /nfs/dbraw/zinc/91/05/97/824910597.db2.gz PJNGDPILTKWSCM-MBNYWOFBSA-N 2 0 282.388 -0.560 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](C)O)C[C@@H]1O ZINC001219902899 824911669 /nfs/dbraw/zinc/91/16/69/824911669.db2.gz NUJBYSULFMIIQQ-TUAOUCFPSA-N 2 0 287.404 -0.741 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001219915883 824912970 /nfs/dbraw/zinc/91/29/70/824912970.db2.gz CUUINXUMNHMKPK-UWVGGRQHSA-N 2 0 256.350 -0.998 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C)C[NH+](C)C ZINC001219916043 824913218 /nfs/dbraw/zinc/91/32/18/824913218.db2.gz IUVUFZPMTAVRNX-PWSUYJOCSA-N 2 0 272.393 -0.314 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001219916428 824914178 /nfs/dbraw/zinc/91/41/78/824914178.db2.gz VSQFDZQVMYNRMZ-XKGSQUFQSA-N 2 0 257.378 -0.069 20 0 CBADRP [NH3+]C12CCC(C(=O)NCC[NH2+]CCO)(CC1)CC2 ZINC001219918163 824914812 /nfs/dbraw/zinc/91/48/12/824914812.db2.gz GRBPBPQHSCZMKS-UHFFFAOYSA-N 2 0 255.362 -0.264 20 0 CBADRP [NH3+][C@H](C(=O)NCC[NH2+]CCO)C1Cc2ccccc2C1 ZINC001219918632 824914966 /nfs/dbraw/zinc/91/49/66/824914966.db2.gz PBTSRTDAZGSVIE-AWEZNQCLSA-N 2 0 277.368 -0.573 20 0 CBADRP C[NH+](C)CCCCCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219920211 824915329 /nfs/dbraw/zinc/91/53/29/824915329.db2.gz BMPAEZYFLNHSAE-AWEZNQCLSA-N 3 0 299.463 -0.415 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N[C@@H](C)C[NH+](C)C ZINC001219916555 824915561 /nfs/dbraw/zinc/91/55/61/824915561.db2.gz YYSQQMCXHSWDHZ-QWRGUYRKSA-N 2 0 272.393 -0.458 20 0 CBADRP Cc1nccn1CCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001219934855 824916093 /nfs/dbraw/zinc/91/60/93/824916093.db2.gz QCXSZFHGZLZGLP-LBPRGKRZSA-N 2 0 265.361 -0.365 20 0 CBADRP Cc1nccn1CCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001219934854 824916923 /nfs/dbraw/zinc/91/69/23/824916923.db2.gz QCXSZFHGZLZGLP-GFCCVEGCSA-N 2 0 265.361 -0.365 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1nonc1C ZINC001219947952 824919735 /nfs/dbraw/zinc/91/97/35/824919735.db2.gz HKWYJDGAFDYMBZ-VIFPVBQESA-N 2 0 255.322 -0.289 20 0 CBADRP Cc1c[nH]c(CCNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001219951761 824919852 /nfs/dbraw/zinc/91/98/52/824919852.db2.gz AIRWMFLDNHBHSR-SNVBAGLBSA-N 2 0 263.345 -0.814 20 0 CBADRP Cc1nonc1CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219948205 824920556 /nfs/dbraw/zinc/92/05/56/824920556.db2.gz ONFCBSPGRBUGAU-SNVBAGLBSA-N 2 0 279.344 -0.132 20 0 CBADRP Cc1nonc1CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001219948429 824921292 /nfs/dbraw/zinc/92/12/92/824921292.db2.gz VDYVRPNMGWSNDK-SNVBAGLBSA-N 2 0 253.306 -0.679 20 0 CBADRP O=C(NC[C@H]1CCC(=O)N1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219959142 824922262 /nfs/dbraw/zinc/92/22/62/824922262.db2.gz JYZAHDGHNBJTES-GHMZBOCLSA-N 2 0 280.372 -0.745 20 0 CBADRP O=C(NCCC[NH2+]C1CCCCC1)[C@H]1C[NH2+]CCN1 ZINC001219954839 824922312 /nfs/dbraw/zinc/92/23/12/824922312.db2.gz URZLTWAJZRHAJW-CYBMUJFWSA-N 2 0 268.405 -0.024 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1ccc2nonc2c1 ZINC001219962702 824923707 /nfs/dbraw/zinc/92/37/07/824923707.db2.gz GLPYYWYMHQHAEA-VIFPVBQESA-N 2 0 263.301 -0.095 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCCc1c[nH][nH]c1=O ZINC001219968160 824924602 /nfs/dbraw/zinc/92/46/02/824924602.db2.gz XKXNXDBEXIVUCL-QWRGUYRKSA-N 2 0 283.376 -0.668 20 0 CBADRP O=C(NCc1ccc2nonc2c1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219965424 824924823 /nfs/dbraw/zinc/92/48/23/824924823.db2.gz NIGFNRSQZFALNM-JTQLQIEISA-N 2 0 287.323 -0.352 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCC(=O)NC1CCCC1 ZINC001219974630 824925869 /nfs/dbraw/zinc/92/58/69/824925869.db2.gz BMSUFKVHZDNJAU-LBPRGKRZSA-N 2 0 284.404 -0.122 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCn1cccc1 ZINC001219969719 824926423 /nfs/dbraw/zinc/92/64/23/824926423.db2.gz KGRKBRKOZAYAKX-JTQLQIEISA-N 2 0 256.375 -0.377 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CCCCO1 ZINC001219978115 824927421 /nfs/dbraw/zinc/92/74/21/824927421.db2.gz DBOGGLIMGXCHJD-OLZOCXBDSA-N 2 0 284.404 -0.578 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001219978592 824928257 /nfs/dbraw/zinc/92/82/57/824928257.db2.gz PIZXTPWWBXPPAJ-VXGBXAGGSA-N 3 0 256.394 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@]2(N)CC[NH2+]C2)C1 ZINC001219980518 824929060 /nfs/dbraw/zinc/92/90/60/824929060.db2.gz JYCPCJISJNKTKN-AAEUAGOBSA-N 2 0 254.378 -0.475 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001219978965 824929403 /nfs/dbraw/zinc/92/94/03/824929403.db2.gz WWSYWMRMYBHSCV-IPYPFGDCSA-N 2 0 280.416 -0.214 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001219978983 824929497 /nfs/dbraw/zinc/92/94/97/824929497.db2.gz XHLAGFXOHDLHRD-CHWSQXEVSA-N 3 0 280.416 -0.357 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001219981144 824929891 /nfs/dbraw/zinc/92/98/91/824929891.db2.gz XWWWVRPBMFWLME-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP COC(=O)C1(NC(=O)[C@H]2CC[NH2+]C[C@@H]2F)CC[NH2+]CC1 ZINC001220001808 824931273 /nfs/dbraw/zinc/93/12/73/824931273.db2.gz XNVCYSKIPBTAEK-UWVGGRQHSA-N 2 0 287.335 -0.655 20 0 CBADRP COC(=O)C1(NC(=O)C[C@@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC001220001541 824931334 /nfs/dbraw/zinc/93/13/34/824931334.db2.gz RUYNTPUGRDENJR-NSHDSACASA-N 2 0 283.372 -0.213 20 0 CBADRP O=C(NCc1cncnc1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220007118 824932810 /nfs/dbraw/zinc/93/28/10/824932810.db2.gz IAZGLSDIEHWODC-DGCLKSJQSA-N 2 0 261.329 -0.708 20 0 CBADRP O=C(NCc1ccncn1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220005178 824933197 /nfs/dbraw/zinc/93/31/97/824933197.db2.gz SWXHXOYDWISQMS-GFCCVEGCSA-N 2 0 275.356 -0.033 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC1(CO)CCOCC1 ZINC001220018474 824934806 /nfs/dbraw/zinc/93/48/06/824934806.db2.gz FJGUOFBLJZJJBO-LBPRGKRZSA-N 2 0 287.404 -0.297 20 0 CBADRP O=C(NCc1cccnn1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220018590 824935153 /nfs/dbraw/zinc/93/51/53/824935153.db2.gz JUYPFHVYXRAKJV-LBPRGKRZSA-N 2 0 275.356 -0.033 20 0 CBADRP CC(C)[C@@](C)(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C(N)=O ZINC001220022794 824936034 /nfs/dbraw/zinc/93/60/34/824936034.db2.gz LYHDHJHEORBXJR-GXFFZTMASA-N 2 0 272.393 -0.151 20 0 CBADRP CC(C)[C@](C)(NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C(N)=O ZINC001220022815 824936258 /nfs/dbraw/zinc/93/62/58/824936258.db2.gz MSNPBDBTTTYVGO-DDTOSNHZSA-N 2 0 282.388 -0.798 20 0 CBADRP CC(C)[C@@](C)(NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(N)=O ZINC001220023469 824938060 /nfs/dbraw/zinc/93/80/60/824938060.db2.gz ZPRVEELSZDCVHP-BXUZGUMPSA-N 2 0 296.415 -0.123 20 0 CBADRP O=C(NCc1ccc2n[nH]cc2c1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220024998 824938317 /nfs/dbraw/zinc/93/83/17/824938317.db2.gz GIQVCBRSOWOUDD-GFCCVEGCSA-N 2 0 285.351 -0.012 20 0 CBADRP N=c1sc2c(n1C(=O)[C@]1(N)CC[NH2+]C1)CC[C@H]([NH3+])C2 ZINC001220025379 824938477 /nfs/dbraw/zinc/93/84/77/824938477.db2.gz MVTPPSQZRFTSEK-MADCSZMMSA-N 2 0 281.385 -0.824 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220043120 824941990 /nfs/dbraw/zinc/94/19/90/824941990.db2.gz FZYFNHIKYOAJSG-LBPRGKRZSA-N 3 0 294.403 -0.171 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)n1ccc(C[NH3+])cc1=N ZINC001220044873 824942395 /nfs/dbraw/zinc/94/23/95/824942395.db2.gz CLHOJIUKKATFCZ-LBPRGKRZSA-N 2 0 293.371 -0.300 20 0 CBADRP N=c1cc(C[NH3+])ccn1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220045319 824944069 /nfs/dbraw/zinc/94/40/69/824944069.db2.gz VQIZULURNYFZJW-LBPRGKRZSA-N 3 0 289.383 -0.059 20 0 CBADRP C[NH2+]CCNC(=O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001220053031 824945160 /nfs/dbraw/zinc/94/51/60/824945160.db2.gz PBUXQMYKYMTKGC-VXGBXAGGSA-N 2 0 254.378 -0.604 20 0 CBADRP CCCCOC(=O)[C@H](C)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220049719 824945510 /nfs/dbraw/zinc/94/55/10/824945510.db2.gz PJCHQGIGJOCOHO-WDEREUQCSA-N 2 0 283.372 -0.357 20 0 CBADRP C[NH2+]CCNC(=O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001220053028 824945680 /nfs/dbraw/zinc/94/56/80/824945680.db2.gz PBUXQMYKYMTKGC-NEPJUHHUSA-N 2 0 254.378 -0.604 20 0 CBADRP C[NH2+]CCNC(=O)[C@@H]([NH3+])CC(=O)OCc1ccccc1 ZINC001220051159 824945834 /nfs/dbraw/zinc/94/58/34/824945834.db2.gz MGQONYUEVBAUSM-LBPRGKRZSA-N 2 0 279.340 -0.217 20 0 CBADRP O=C(NCCc1cc[nH]n1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220062017 824946473 /nfs/dbraw/zinc/94/64/73/824946473.db2.gz JFMSWSKTAHGAEK-GFCCVEGCSA-N 2 0 277.372 -0.057 20 0 CBADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220062229 824946624 /nfs/dbraw/zinc/94/66/24/824946624.db2.gz QUNQKTRADRBZBK-UPJWGTAASA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001220061670 824947228 /nfs/dbraw/zinc/94/72/28/824947228.db2.gz BRZYKXOOYCFNAN-AGIUHOORSA-N 2 0 268.405 -0.086 20 0 CBADRP COCC1(NC(=O)[C@@H]([NH3+])CSCC[NH3+])CCC1 ZINC001220064118 824949098 /nfs/dbraw/zinc/94/90/98/824949098.db2.gz ROHKJAIWFMYETM-VIFPVBQESA-N 2 0 261.391 -0.309 20 0 CBADRP C[NH2+]CCCCNC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001220077555 824950699 /nfs/dbraw/zinc/95/06/99/824950699.db2.gz NWENMGZMWKKAEW-NSHDSACASA-N 2 0 270.377 -0.558 20 0 CBADRP CCOC(=O)C(F)(F)CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220096858 824952453 /nfs/dbraw/zinc/95/24/53/824952453.db2.gz KEMCAIUUDAJWSX-ZETCQYMHSA-N 2 0 299.343 -0.680 20 0 CBADRP CCOC(=O)C(F)(F)CNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220096663 824953872 /nfs/dbraw/zinc/95/38/72/824953872.db2.gz GZCZIKYWMJCHFG-SSDOTTSWSA-N 2 0 267.276 -0.633 20 0 CBADRP CCOC(=O)C(F)(F)CNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220097136 824954522 /nfs/dbraw/zinc/95/45/22/824954522.db2.gz QDWIAFWWZYTADJ-QMMMGPOBSA-N 2 0 281.303 -0.243 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220101639 824954933 /nfs/dbraw/zinc/95/49/33/824954933.db2.gz WHRXTSFPRFGOCA-NXEZZACHSA-N 3 0 255.366 -0.165 20 0 CBADRP C[NH+](C)CCCC[C@H](N)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220103328 824955436 /nfs/dbraw/zinc/95/54/36/824955436.db2.gz OGEOUAGIQPFZKS-NSHDSACASA-N 3 0 286.424 -0.493 20 0 CBADRP CCC(CO)(CO)NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220109824 824956297 /nfs/dbraw/zinc/95/62/97/824956297.db2.gz MMQNFGYNYIYYEL-NSHDSACASA-N 2 0 275.393 -0.705 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001220138663 824964677 /nfs/dbraw/zinc/96/46/77/824964677.db2.gz BTWZOTNHYAFRJY-DCAQKATOSA-N 2 0 291.417 -0.605 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCCC1CCS(=O)(=O)CC1 ZINC001220141623 824967094 /nfs/dbraw/zinc/96/70/94/824967094.db2.gz ONBYARKEIXVUMU-NSHDSACASA-N 2 0 291.417 -0.616 20 0 CBADRP Cn1cc2cccc(CNC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)c2n1 ZINC001220143416 824967115 /nfs/dbraw/zinc/96/71/15/824967115.db2.gz HEXRDHNIEBOTNJ-ZDUSSCGKSA-N 2 0 299.378 -0.002 20 0 CBADRP O=C(NCc1cc[nH]c(=O)c1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220147925 824969596 /nfs/dbraw/zinc/96/95/96/824969596.db2.gz LBHHNZYYVOVHFP-SNVBAGLBSA-N 2 0 262.313 -0.788 20 0 CBADRP N=C(NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)c1nccs1 ZINC001220154534 824970604 /nfs/dbraw/zinc/97/06/04/824970604.db2.gz UJMAGPBBZFFNKU-QMMMGPOBSA-N 2 0 267.358 -0.088 20 0 CBADRP [NH3+]CC1(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ncccc23)COC1 ZINC001220153914 824971448 /nfs/dbraw/zinc/97/14/48/824971448.db2.gz DFFAENVKXUIDHH-NSHDSACASA-N 2 0 289.339 -0.723 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C1 ZINC001220157178 824973382 /nfs/dbraw/zinc/97/33/82/824973382.db2.gz ZOWCXCLYVSFSHI-ZDEQEGDKSA-N 2 0 267.373 -0.036 20 0 CBADRP O=C(N[C@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1C[NH2+]CCN1 ZINC001220163462 824974146 /nfs/dbraw/zinc/97/41/46/824974146.db2.gz RBLQKTAOTWZKRJ-SCRDCRAPSA-N 2 0 266.389 -0.414 20 0 CBADRP O=C(N[C@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220163381 824974251 /nfs/dbraw/zinc/97/42/51/824974251.db2.gz QFLBUBFJIFHSCU-IPVBOJNNSA-N 2 0 292.427 -0.025 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)N[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001220161582 824974891 /nfs/dbraw/zinc/97/48/91/824974891.db2.gz DHKMWSDXOKYIHI-NRWUCQMLSA-N 2 0 266.389 -0.286 20 0 CBADRP N[C@]1(C(=O)N[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC001220162549 824974942 /nfs/dbraw/zinc/97/49/42/824974942.db2.gz KCTLXQHGLFDEGK-IACUBPJLSA-N 2 0 266.389 -0.284 20 0 CBADRP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220161399 824975223 /nfs/dbraw/zinc/97/52/23/824975223.db2.gz CGJAHHJFMBABAZ-LUYZLQTOSA-N 2 0 292.427 -0.024 20 0 CBADRP N=C(NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)c1ccc(F)cn1 ZINC001220170252 824976586 /nfs/dbraw/zinc/97/65/86/824976586.db2.gz FGNGYELLZXIBRI-NSHDSACASA-N 2 0 279.319 -0.011 20 0 CBADRP N=C(NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1ccc(F)cn1 ZINC001220170948 824976765 /nfs/dbraw/zinc/97/67/65/824976765.db2.gz ZLQGZBWBAYJZQS-SECBINFHSA-N 2 0 277.303 -0.529 20 0 CBADRP O=C(NCC1CC(=O)C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220178082 824979322 /nfs/dbraw/zinc/97/93/22/824979322.db2.gz ZGGGRUWTBZIFBZ-GFCCVEGCSA-N 2 0 265.357 -0.044 20 0 CBADRP Cn1ccc(CNC(=O)[C@H]([NH3+])CCC[NH3+])cc1=O ZINC001220180045 824979794 /nfs/dbraw/zinc/97/97/94/824979794.db2.gz ZCEFZKRDZYYYCX-SNVBAGLBSA-N 2 0 252.318 -0.932 20 0 CBADRP N=C(NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1ncc[nH]1 ZINC001220181708 824980381 /nfs/dbraw/zinc/98/03/81/824980381.db2.gz ZFENQVGRVHGXHE-PRHODGIISA-N 2 0 262.317 -0.950 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N[C@H]1COCC[C@@H]1O ZINC001220181621 824981032 /nfs/dbraw/zinc/98/10/32/824981032.db2.gz WWGKQNFQKXJRGM-DCAQKATOSA-N 2 0 259.350 -0.901 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@H]1CCNCC1(F)F ZINC001220187009 824983366 /nfs/dbraw/zinc/98/33/66/824983366.db2.gz XDEQRGMJMPKXQA-RKDXNWHRSA-N 2 0 264.320 -0.586 20 0 CBADRP CC1(C)C[C@@H](CNC(=O)[C@H]([NH3+])Cc2cnc[nH]2)O1 ZINC001220197872 824984077 /nfs/dbraw/zinc/98/40/77/824984077.db2.gz VDHRAQCNSHLIJW-VHSXEESVSA-N 2 0 252.318 -0.037 20 0 CBADRP CC1(C)C[C@H](CNC(=O)[C@@H]([NH3+])CSCC[NH3+])O1 ZINC001220200189 824984878 /nfs/dbraw/zinc/98/48/78/824984878.db2.gz CPOCHWBEEZZRRC-BDAKNGLRSA-N 2 0 261.391 -0.311 20 0 CBADRP CC1(C)C[C@H](CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)O1 ZINC001220200583 824986471 /nfs/dbraw/zinc/98/64/71/824986471.db2.gz OIGKTEAEQDJKPZ-NXEZZACHSA-N 2 0 253.346 -0.521 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC[C@H]1CNC(=O)C1 ZINC001220202912 824986724 /nfs/dbraw/zinc/98/67/24/824986724.db2.gz PIHAVJZKWNHQSB-NEPJUHHUSA-N 2 0 284.404 -0.266 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@@H](N)CC[NH3+])CC1 ZINC001220200914 824986771 /nfs/dbraw/zinc/98/67/71/824986771.db2.gz ZHDPAIFHRJLHGQ-LBPRGKRZSA-N 2 0 272.393 -0.720 20 0 CBADRP COC1CCC(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001220220768 824988741 /nfs/dbraw/zinc/98/87/41/824988741.db2.gz DWXFEYCEAFNSAZ-HTAVTVPLSA-N 2 0 267.373 -0.131 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001220221072 824989758 /nfs/dbraw/zinc/98/97/58/824989758.db2.gz POGBDVIOAFHBQU-BJDJZHNGSA-N 2 0 255.362 -0.444 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCc1nc[nH]n1 ZINC001220250322 824994563 /nfs/dbraw/zinc/99/45/63/824994563.db2.gz WSYHFTSVUJNERV-JTQLQIEISA-N 2 0 268.365 -0.084 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCNC(=O)C1(N)CC[NH2+]CC1 ZINC001220252382 824995708 /nfs/dbraw/zinc/99/57/08/824995708.db2.gz YLRAQBXHAUYQEI-NSHDSACASA-N 2 0 254.378 -0.332 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220254670 824996485 /nfs/dbraw/zinc/99/64/85/824996485.db2.gz ULVCFTIWFRDKCZ-LLVKDONJSA-N 3 0 268.405 -0.501 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220254712 824997032 /nfs/dbraw/zinc/99/70/32/824997032.db2.gz VBPDPHKJUAZLQT-RISCZKNCSA-N 2 0 268.405 -0.358 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001220252389 824997038 /nfs/dbraw/zinc/99/70/38/824997038.db2.gz YXJVSHBLVXBNLU-LIBAHTEVSA-N 2 0 275.418 -0.317 20 0 CBADRP O=C(N[C@@H]1CCc2n[nH]cc2C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220260728 824997628 /nfs/dbraw/zinc/99/76/28/824997628.db2.gz FOHMFKUAFHPRQY-GHMZBOCLSA-N 2 0 275.356 -0.808 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC001220260947 824998411 /nfs/dbraw/zinc/99/84/11/824998411.db2.gz LVCMACXROBTNRG-UWVGGRQHSA-N 2 0 283.401 -0.598 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC001220260948 824998530 /nfs/dbraw/zinc/99/85/30/824998530.db2.gz LVCMACXROBTNRG-ZJUUUORDSA-N 2 0 283.401 -0.598 20 0 CBADRP [NH3+]CCN(C(=O)[C@H]1[NH2+]CC[C@H]1O)c1cccnc1 ZINC001220263337 824999385 /nfs/dbraw/zinc/99/93/85/824999385.db2.gz HEDKQBLBYXHGNW-MNOVXSKESA-N 2 0 250.302 -0.904 20 0 CBADRP [NH3+][C@@H](C(=O)N[C@H]1CCc2n[nH]cc2C1)C1CC[NH2+]CC1 ZINC001220261238 824999647 /nfs/dbraw/zinc/99/96/47/824999647.db2.gz VMRPPYQFIIAMIX-WCQYABFASA-N 2 0 277.372 -0.290 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCCn1nnc2ccccc21 ZINC001220272481 825001859 /nfs/dbraw/zinc/00/18/59/825001859.db2.gz APHNQCFSSVOSSB-SNVBAGLBSA-N 2 0 276.344 -0.386 20 0 CBADRP Cn1cc(CCNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cn1 ZINC001220276531 825002911 /nfs/dbraw/zinc/00/29/11/825002911.db2.gz LKJKDTHOAGPXOJ-ZDUSSCGKSA-N 2 0 291.399 -0.047 20 0 CBADRP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220274888 825003496 /nfs/dbraw/zinc/00/34/96/825003496.db2.gz HSVXOQFPTVBMFH-TUAOUCFPSA-N 2 0 273.377 -0.866 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220276507 825003826 /nfs/dbraw/zinc/00/38/26/825003826.db2.gz CUHIAOKAMZRULM-UPJWGTAASA-N 2 0 285.388 -0.864 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001220282818 825005210 /nfs/dbraw/zinc/00/52/10/825005210.db2.gz NWASUNZSHUQLQT-FRRDWIJNSA-N 2 0 266.389 -0.462 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001220277305 825005708 /nfs/dbraw/zinc/00/57/08/825005708.db2.gz VJFPIXXYJGCHRA-MJBXVCDLSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220312773 825011340 /nfs/dbraw/zinc/01/13/40/825011340.db2.gz GDQUZCNBFYNNLG-VIFPVBQESA-N 2 0 251.334 -0.413 20 0 CBADRP O=C(NCc1ncn2c1C[NH2+]CCC2)C1CC2(C[NH2+]C2)C1 ZINC001220310475 825011799 /nfs/dbraw/zinc/01/17/99/825011799.db2.gz AUMRYILREVDEPL-UHFFFAOYSA-N 2 0 289.383 -0.008 20 0 CBADRP C[C@@H](NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)c1cnn(C)c1 ZINC001220308561 825011809 /nfs/dbraw/zinc/01/18/09/825011809.db2.gz LZYMBHOYLWKMCU-BXKDBHETSA-N 2 0 265.361 -0.076 20 0 CBADRP C[C@@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)c1cnn(C)c1 ZINC001220308629 825012822 /nfs/dbraw/zinc/01/28/22/825012822.db2.gz NDESZKWGCJKNDY-ZWNOBZJWSA-N 2 0 294.403 -0.652 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316892 825013824 /nfs/dbraw/zinc/01/38/24/825013824.db2.gz UMJBYDSKNMAEMN-OBJOEFQTSA-N 2 0 293.371 -0.693 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316173 825013975 /nfs/dbraw/zinc/01/39/75/825013975.db2.gz MWERMXUBNRJTQK-MDZLAQPJSA-N 3 0 270.377 -0.920 20 0 CBADRP [NH3+][C@H]1CC[C@@H]1C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220317124 825014342 /nfs/dbraw/zinc/01/43/42/825014342.db2.gz WDHBAHHVSSNUSP-MRBYEJRBSA-N 2 0 253.346 -0.249 20 0 CBADRP Cc1cc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])n(N)c(=O)c1 ZINC001220323988 825014905 /nfs/dbraw/zinc/01/49/05/825014905.db2.gz SOCYPWMMWQVJMC-JTQLQIEISA-N 2 0 281.360 -0.345 20 0 CBADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1CC[NH2+]C[C@H]1F ZINC001220319906 825014937 /nfs/dbraw/zinc/01/49/37/825014937.db2.gz JZYIBSDKNKAEAV-FMCLSXCISA-N 2 0 285.363 -0.039 20 0 CBADRP O=C(NCc1cn[nH]n1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220329703 825016351 /nfs/dbraw/zinc/01/63/51/825016351.db2.gz XTXGLKXXHBKDIM-JTQLQIEISA-N 2 0 264.333 -0.705 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C[C@@H](O)C[NH3+] ZINC001220333616 825017016 /nfs/dbraw/zinc/01/70/16/825017016.db2.gz WPQBALNVVCJNIP-VXGBXAGGSA-N 2 0 257.378 -0.067 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1ccc(OC)nn1 ZINC001220343724 825019258 /nfs/dbraw/zinc/01/92/58/825019258.db2.gz ZSLUNTSOKSAOSH-NSHDSACASA-N 2 0 281.360 -0.182 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@@H]2CC[NH2+]2)CC[NH+](C)CC1 ZINC001220345712 825019352 /nfs/dbraw/zinc/01/93/52/825019352.db2.gz MVGKSJYZLSBMSL-JTQLQIEISA-N 2 0 269.345 -0.508 20 0 CBADRP COC(=O)c1n[nH]cc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220373617 825022842 /nfs/dbraw/zinc/02/28/42/825022842.db2.gz UVWRRAZQJVJKOL-ZETCQYMHSA-N 2 0 269.305 -0.409 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@@H]1COCCN1C ZINC001220381039 825025110 /nfs/dbraw/zinc/02/51/10/825025110.db2.gz GEERZGLDOPAYOW-NEPJUHHUSA-N 2 0 272.393 -0.850 20 0 CBADRP O=C(NCc1ncccc1O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220389972 825026847 /nfs/dbraw/zinc/02/68/47/825026847.db2.gz JBPAMBPARSQFCV-SECBINFHSA-N 2 0 262.313 -0.788 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1cc[nH]c1 ZINC001220388534 825026997 /nfs/dbraw/zinc/02/69/97/825026997.db2.gz YNSBFCIKMVLTQI-LBPRGKRZSA-N 2 0 265.361 -0.619 20 0 CBADRP C[NH+](C)CCC(C)(C)NC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220386509 825027408 /nfs/dbraw/zinc/02/74/08/825027408.db2.gz XGDMOGPGYOULPQ-SNVBAGLBSA-N 2 0 287.408 -0.391 20 0 CBADRP C[NH+](C)CCC(C)(C)NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220386280 825027475 /nfs/dbraw/zinc/02/74/75/825027475.db2.gz NOBCMBGODWSXII-LLVKDONJSA-N 2 0 284.404 -0.837 20 0 CBADRP O=C(NCC12CC[NH+](CC1)CC2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220395066 825028410 /nfs/dbraw/zinc/02/84/10/825028410.db2.gz UKPLTYPMUHJCKI-RWMBFGLXSA-N 2 0 278.400 -0.462 20 0 CBADRP COc1ccc(CCNC(=O)[C@@H]([NH3+])CCC[NH3+])nc1 ZINC001220396400 825028984 /nfs/dbraw/zinc/02/89/84/825028984.db2.gz ADDKIEFCBFZASG-LBPRGKRZSA-N 2 0 266.345 -0.185 20 0 CBADRP COc1ccc(CCNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)nc1 ZINC001220396924 825030106 /nfs/dbraw/zinc/03/01/06/825030106.db2.gz QQTOXIAYAMIGJU-ZDUSSCGKSA-N 2 0 290.367 -0.442 20 0 CBADRP COc1ccc(CCNC(=O)[C@@H]([NH3+])CSCC[NH3+])nc1 ZINC001220396967 825030688 /nfs/dbraw/zinc/03/06/88/825030688.db2.gz SQEXCUHUVBVAOH-LBPRGKRZSA-N 2 0 298.412 -0.232 20 0 CBADRP CNOCCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220402998 825030785 /nfs/dbraw/zinc/03/07/85/825030785.db2.gz GSVZTXHKUJACMY-JTQLQIEISA-N 2 0 256.350 -0.872 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001220405725 825031726 /nfs/dbraw/zinc/03/17/26/825031726.db2.gz CKGUWCTYHORSLS-IJLUTSLNSA-N 2 0 283.372 -0.229 20 0 CBADRP COC(=O)[C@@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001220406578 825032910 /nfs/dbraw/zinc/03/29/10/825032910.db2.gz TVQSJFZXKCIDTF-OUAUKWLOSA-N 2 0 281.356 -0.747 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001220406146 825033142 /nfs/dbraw/zinc/03/31/42/825033142.db2.gz LCRBCDSPIVCIMR-RTWAVKEYSA-N 2 0 295.383 -0.357 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001220406577 825033363 /nfs/dbraw/zinc/03/33/63/825033363.db2.gz TVQSJFZXKCIDTF-MXWKQRLJSA-N 2 0 281.356 -0.747 20 0 CBADRP COC(=O)[C@@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001220406144 825033570 /nfs/dbraw/zinc/03/35/70/825033570.db2.gz LCRBCDSPIVCIMR-MCYUEQNJSA-N 2 0 295.383 -0.357 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1ccc2n[nH]nc2c1 ZINC001220424803 825037360 /nfs/dbraw/zinc/03/73/60/825037360.db2.gz VBVUHZQRQAZYTR-SECBINFHSA-N 2 0 262.317 -0.360 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220432084 825039305 /nfs/dbraw/zinc/03/93/05/825039305.db2.gz XPONHMNQPAQZGJ-ZJUUUORDSA-N 2 0 259.350 -0.767 20 0 CBADRP O=C(NC1CCN(CCF)CC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220435356 825039188 /nfs/dbraw/zinc/03/91/88/825039188.db2.gz HFXMJNUJUPLDFE-LBPRGKRZSA-N 2 0 284.379 -0.655 20 0 CBADRP N[C@H](C[NH3+])c1ccc(C(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC001220431588 825039821 /nfs/dbraw/zinc/03/98/21/825039821.db2.gz KKWXIHNTPVWRNA-CHWSQXEVSA-N 2 0 278.356 -0.637 20 0 CBADRP N[C@H](C[NH3+])c1ccc(C(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC001220431590 825039893 /nfs/dbraw/zinc/03/98/93/825039893.db2.gz KKWXIHNTPVWRNA-QWHCGFSZSA-N 2 0 278.356 -0.637 20 0 CBADRP O=C(N[C@@H](CO)C(F)(F)F)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220447704 825040886 /nfs/dbraw/zinc/04/08/86/825040886.db2.gz OCISRYAZKUHCIC-BDAKNGLRSA-N 2 0 295.305 -0.100 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@H](CO)C(F)(F)F ZINC001220447188 825040908 /nfs/dbraw/zinc/04/09/08/825040908.db2.gz DAUODPUBUXWZCV-NKWVEPMBSA-N 2 0 257.256 -0.518 20 0 CBADRP O=C(N[C@H](CO)C(F)(F)F)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220447705 825041132 /nfs/dbraw/zinc/04/11/32/825041132.db2.gz OCISRYAZKUHCIC-DTWKUNHWSA-N 2 0 295.305 -0.100 20 0 CBADRP O=C(CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)Cc1ccccc1 ZINC001220462996 825044204 /nfs/dbraw/zinc/04/42/04/825044204.db2.gz WTPNGBJFHJYBJS-CQSZACIVSA-N 2 0 287.363 -0.277 20 0 CBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)O1 ZINC001220481409 825046782 /nfs/dbraw/zinc/04/67/82/825046782.db2.gz GNRKHPIMXHCTQF-HKUMRIAESA-N 2 0 285.388 -0.173 20 0 CBADRP [NH3+][C@H](C(=O)Nc1[nH]c(=O)nc2nc[nH]c21)C1CC[NH2+]CC1 ZINC001220471139 825047161 /nfs/dbraw/zinc/04/71/61/825047161.db2.gz DSWFCLBBMJKHJG-ZETCQYMHSA-N 2 0 291.315 -0.676 20 0 CBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C2CC3(C[NH2+]C3)C2)O1 ZINC001220481539 825048035 /nfs/dbraw/zinc/04/80/35/825048035.db2.gz JYHUULHQJGQRTP-BZPMIXESSA-N 2 0 297.399 -0.173 20 0 CBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C2([NH3+])CC2)O1 ZINC001220481557 825048728 /nfs/dbraw/zinc/04/87/28/825048728.db2.gz KJYUOWMOKMRIFT-OPRDCNLKSA-N 2 0 257.334 -0.681 20 0 CBADRP Cc1[nH][nH]c(=O)c1CCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220492651 825049527 /nfs/dbraw/zinc/04/95/27/825049527.db2.gz PFONUPQRLSBCBT-NSHDSACASA-N 2 0 281.360 -0.591 20 0 CBADRP Cc1[nH][nH]c(=O)c1CCNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220492802 825050640 /nfs/dbraw/zinc/05/06/40/825050640.db2.gz RZZQXOKNWZDQOE-SECBINFHSA-N 2 0 255.322 -0.851 20 0 CBADRP [NH3+][C@@H](CNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1)c1ccccc1 ZINC001220501598 825052610 /nfs/dbraw/zinc/05/26/10/825052610.db2.gz RDDFNBNLNOLIHU-STQMWFEESA-N 2 0 290.367 -0.867 20 0 CBADRP CN(CC[NH3+])CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC001220515616 825053067 /nfs/dbraw/zinc/05/30/67/825053067.db2.gz HRTBHPKNZSQKEQ-GFCCVEGCSA-N 2 0 250.346 -0.307 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCOCCOCC[NH3+] ZINC001220519408 825053168 /nfs/dbraw/zinc/05/31/68/825053168.db2.gz NCHKXMPRXXWLEJ-NWDGAFQWSA-N 2 0 273.377 -0.517 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCOCCOCC[NH3+] ZINC001220519409 825053437 /nfs/dbraw/zinc/05/34/37/825053437.db2.gz NCHKXMPRXXWLEJ-RYUDHWBXSA-N 2 0 273.377 -0.517 20 0 CBADRP CN(CC[NH3+])CCNC(=O)c1ccc([C@H](N)C[NH3+])cc1 ZINC001220517443 825053814 /nfs/dbraw/zinc/05/38/14/825053814.db2.gz LUJGQARPPRPCIR-CYBMUJFWSA-N 2 0 279.388 -0.735 20 0 CBADRP CN(CC[NH3+])CCNC(=O)C1CCC(C[NH3+])CC1 ZINC001220517247 825054269 /nfs/dbraw/zinc/05/42/69/825054269.db2.gz COJYYIVUKAIBTC-UHFFFAOYSA-N 2 0 256.394 -0.242 20 0 CBADRP O=C(NCc1nccc(Cl)n1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220529620 825057699 /nfs/dbraw/zinc/05/76/99/825057699.db2.gz GTGZSSAECZAJID-NOZJJQNGSA-N 2 0 295.774 -0.055 20 0 CBADRP O=C(NCOc1ccccc1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220563592 825062800 /nfs/dbraw/zinc/06/28/00/825062800.db2.gz ZACIBJAZUYCOBV-GFCCVEGCSA-N 2 0 261.325 -0.052 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1O ZINC001220584738 825070917 /nfs/dbraw/zinc/07/09/17/825070917.db2.gz HOZLSUBOHYBHIW-NEPJUHHUSA-N 2 0 257.378 -0.102 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]([NH3+])CC1CCC1 ZINC001220583568 825071322 /nfs/dbraw/zinc/07/13/22/825071322.db2.gz OKRNYPRYTQGWGS-NSHDSACASA-N 2 0 271.361 -0.146 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC001220582971 825072018 /nfs/dbraw/zinc/07/20/18/825072018.db2.gz ALCOAMUJDAYYBI-QWRGUYRKSA-N 2 0 271.361 -0.275 20 0 CBADRP COC(=O)[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(F)(F)F ZINC001220587698 825072157 /nfs/dbraw/zinc/07/21/57/825072157.db2.gz HVOXUSIUHVPSJI-BQBZGAKWSA-N 2 0 285.266 -0.337 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220637966 825079190 /nfs/dbraw/zinc/07/91/90/825079190.db2.gz PZEGICLJFICTMY-OLZOCXBDSA-N 2 0 285.388 -0.722 20 0 CBADRP CCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220681251 825085394 /nfs/dbraw/zinc/08/53/94/825085394.db2.gz FQMKWQZBWLLKNJ-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP [NH3+]Cc1ncccc1NC(=O)C[C@H]1COCC[NH2+]1 ZINC001220714415 825092115 /nfs/dbraw/zinc/09/21/15/825092115.db2.gz KRTJTCXFIAPJHG-VIFPVBQESA-N 2 0 250.302 -0.143 20 0 CBADRP C[C@@](CO)(NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1ccccc1 ZINC001220710996 825092470 /nfs/dbraw/zinc/09/24/70/825092470.db2.gz HXAHNUKAEZSIBR-ZFWWWQNUSA-N 2 0 289.379 -0.181 20 0 CBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)C[C@H](O)C[NH3+])C2 ZINC001220716620 825093867 /nfs/dbraw/zinc/09/38/67/825093867.db2.gz MHLFKELRNYRLRC-YFKTTZPYSA-N 2 0 255.362 -0.172 20 0 CBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1N)C2 ZINC001220717064 825094503 /nfs/dbraw/zinc/09/45/03/825094503.db2.gz YILGPWKFKRUYAI-WJTVCTBASA-N 2 0 266.389 -0.335 20 0 CBADRP CC(=O)NC[C@H](C)CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220756499 825097035 /nfs/dbraw/zinc/09/70/35/825097035.db2.gz FGWHNWGFYRPCKN-AAEUAGOBSA-N 2 0 296.415 -0.251 20 0 CBADRP CCCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764316 825099340 /nfs/dbraw/zinc/09/93/40/825099340.db2.gz GSVHSWWNCIFTAF-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CC(C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764330 825099378 /nfs/dbraw/zinc/09/93/78/825099378.db2.gz HHBUPXGMNMKCEW-NEPJUHHUSA-N 2 0 273.377 -0.866 20 0 CBADRP CC1(C)[C@H](O)C[C@H]1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220766484 825099435 /nfs/dbraw/zinc/09/94/35/825099435.db2.gz TUFPJFSGRJKCLW-QJPTWQEYSA-N 2 0 284.404 -0.988 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)C3=NO[C@@H]4C[NH2+]C[C@H]34)(C1)CCC2 ZINC001220777139 825101011 /nfs/dbraw/zinc/10/10/11/825101011.db2.gz FDXNYKJZADXGFB-GIFSMMMISA-N 2 0 278.356 -0.119 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)(C1)CCC2 ZINC001220777299 825101221 /nfs/dbraw/zinc/10/12/21/825101221.db2.gz LORLKRJTGCIYCT-VCDKRKBESA-N 2 0 253.346 -0.371 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@@H]3C[NH2+]C[C@@H](O)C3)(C1)CCC2 ZINC001220775239 825101240 /nfs/dbraw/zinc/10/12/40/825101240.db2.gz OPENJJBAEUBSBI-AUZPSNTRSA-N 2 0 267.373 -0.123 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C1 ZINC001220779521 825101393 /nfs/dbraw/zinc/10/13/93/825101393.db2.gz USMJXAZETSCQBI-DNIRFERGSA-N 2 0 252.362 -0.404 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)NC[C@@H]2CC[NH2+][C@H]2c2cccnc2)C1 ZINC001220788594 825102085 /nfs/dbraw/zinc/10/20/85/825102085.db2.gz FHEMOSDFFAZQHA-XUXIUFHCSA-N 2 0 289.383 -0.462 20 0 CBADRP N[C@]1(C(=O)NC[C@@H]2CC[NH2+][C@@H]2c2cccnc2)CC[NH2+]C1 ZINC001220789728 825102204 /nfs/dbraw/zinc/10/22/04/825102204.db2.gz MSLIHQWFGVAOOL-GZBFAFLISA-N 2 0 289.383 -0.461 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220788452 825102315 /nfs/dbraw/zinc/10/23/15/825102315.db2.gz DZWNFVNRFMVLOL-AGIUHOORSA-N 2 0 277.372 -0.476 20 0 CBADRP N[C@@H](C[NH3+])C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220788994 825102490 /nfs/dbraw/zinc/10/24/90/825102490.db2.gz IAUOBLUFVLUBCF-SRVKXCTJSA-N 2 0 263.345 -0.866 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220806154 825103916 /nfs/dbraw/zinc/10/39/16/825103916.db2.gz YLHCGXVOFNGBDM-FNCVBFRFSA-N 2 0 281.278 -0.634 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220806159 825104365 /nfs/dbraw/zinc/10/43/65/825104365.db2.gz YLHCGXVOFNGBDM-MAUMQABQSA-N 2 0 281.278 -0.634 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C[NH+](CC)CC)C[NH2+]C1 ZINC001220826839 825107001 /nfs/dbraw/zinc/10/70/01/825107001.db2.gz ASZVZKXMJZKHGR-UHFFFAOYSA-N 2 0 269.345 -0.135 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C[C@H]2CC[NH2+]C[C@@H]2F)C[NH2+]C1 ZINC001220828050 825107825 /nfs/dbraw/zinc/10/78/25/825107825.db2.gz FFBHIPKKUXDFRA-KOLCDFICSA-N 2 0 299.346 -0.139 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C[C@@H]2CC[NH2+]C[C@H]2F)C[NH2+]C1 ZINC001220828049 825108438 /nfs/dbraw/zinc/10/84/38/825108438.db2.gz FFBHIPKKUXDFRA-GXSJLCMTSA-N 2 0 299.346 -0.139 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)C[NH2+]C1 ZINC001220827626 825108512 /nfs/dbraw/zinc/10/85/12/825108512.db2.gz WAMMIDWWGCVATH-NXEZZACHSA-N 2 0 281.356 -0.089 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](CCSC)C(N)=O ZINC001220840567 825110772 /nfs/dbraw/zinc/11/07/72/825110772.db2.gz PTHCSZJALNCLDK-UWVGGRQHSA-N 2 0 290.433 -0.573 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)C[NH2+]C1 ZINC001220851506 825112650 /nfs/dbraw/zinc/11/26/50/825112650.db2.gz YFGKCDZBRKUVIO-IUCAKERBSA-N 2 0 273.308 -0.902 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@H]2[NH2+]C[C@H]3[C@@H]2C3(C)C)C[NH2+]C1 ZINC001220851193 825112790 /nfs/dbraw/zinc/11/27/90/825112790.db2.gz LVVPUIHTTFQPCB-GUBZILKMSA-N 2 0 281.356 -0.748 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)C[NH2+]C1 ZINC001220851120 825112877 /nfs/dbraw/zinc/11/28/77/825112877.db2.gz IQJBVXUGDLQWHA-NXEZZACHSA-N 2 0 269.345 -0.604 20 0 CBADRP [NH3+]Cc1ccccc1CNC(=O)CN1CC[NH2+]CC1 ZINC001220855265 825113264 /nfs/dbraw/zinc/11/32/64/825113264.db2.gz SBEWVSNJECVLIV-UHFFFAOYSA-N 2 0 262.357 -0.333 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220857924 825113535 /nfs/dbraw/zinc/11/35/35/825113535.db2.gz YHDGCNROLVJZEP-UWVGGRQHSA-N 3 0 254.378 -0.715 20 0 CBADRP [NH3+]Cc1ccccc1CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220855134 825113635 /nfs/dbraw/zinc/11/36/35/825113635.db2.gz NJNFNBPYMFGXFO-GDBMZVCRSA-N 3 0 288.395 -0.039 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220857886 825114134 /nfs/dbraw/zinc/11/41/34/825114134.db2.gz WNRPBLPQXQLCLD-QWRGUYRKSA-N 2 0 267.377 -0.221 20 0 CBADRP [NH3+]Cc1ccccc1CNC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220855086 825114262 /nfs/dbraw/zinc/11/42/62/825114262.db2.gz LINBZMZXTRAXGZ-CYBMUJFWSA-N 2 0 290.367 -0.908 20 0 CBADRP O=C(NCCO[C@@H]1CCCCO1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220862243 825115225 /nfs/dbraw/zinc/11/52/25/825115225.db2.gz UPULZBXAPMZPLN-VXGBXAGGSA-N 2 0 283.372 -0.545 20 0 CBADRP COC[C@H](NC(=O)[C@H]([NH3+])CCC[NH3+])[C@@H](O)c1ccccc1 ZINC001220865804 825115344 /nfs/dbraw/zinc/11/53/44/825115344.db2.gz LFZSHTPGNLXWDR-RDBSUJKOSA-N 2 0 295.383 -0.083 20 0 CBADRP O=C(NCCO[C@H]1CCCCO1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220862242 825115890 /nfs/dbraw/zinc/11/58/90/825115890.db2.gz UPULZBXAPMZPLN-RYUDHWBXSA-N 2 0 283.372 -0.545 20 0 CBADRP CCC[C@@H](CCO)NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220870236 825116553 /nfs/dbraw/zinc/11/65/53/825116553.db2.gz JVQVYVKXQRTABY-RYUDHWBXSA-N 2 0 257.378 -0.019 20 0 CBADRP CCC[C@@H](CCO)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220870908 825116561 /nfs/dbraw/zinc/11/65/61/825116561.db2.gz QXVLKWHTSZUOJU-QWHCGFSZSA-N 2 0 286.420 -0.596 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220881190 825118289 /nfs/dbraw/zinc/11/82/89/825118289.db2.gz FIHGKLBXVFZWKF-MXWKQRLJSA-N 2 0 269.345 -0.761 20 0 CBADRP COC(=O)[C@H]1C[C@@H]1CNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220881444 825118573 /nfs/dbraw/zinc/11/85/73/825118573.db2.gz KMSCZJOTOHIZEW-UTLUCORTSA-N 2 0 257.334 -0.632 20 0 CBADRP O=C(C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)N[C@@H]1CCC[NH2+]C1 ZINC001220885055 825119403 /nfs/dbraw/zinc/11/94/03/825119403.db2.gz WZFXDOMVJNSYRS-IRCOFANPSA-N 2 0 253.346 -0.378 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001220886743 825119801 /nfs/dbraw/zinc/11/98/01/825119801.db2.gz LKHVMCSIRHYDDA-MCIONIFRSA-N 2 0 280.416 -0.072 20 0 CBADRP NC(=O)C1CC[NH+](CCC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC001220884822 825119821 /nfs/dbraw/zinc/11/98/21/825119821.db2.gz OEEHYZDXERHTMY-LBPRGKRZSA-N 2 0 282.388 -0.558 20 0 CBADRP C[N@@H+]1C[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001220884370 825119906 /nfs/dbraw/zinc/11/99/06/825119906.db2.gz APJNGKCXBMGUMX-CHWSQXEVSA-N 3 0 296.415 -0.693 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1C[NH2+]CC12CCOCC2 ZINC001220884914 825120278 /nfs/dbraw/zinc/12/02/78/825120278.db2.gz RIBAJIIKHSIOTB-VXGBXAGGSA-N 2 0 267.373 -0.129 20 0 CBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220889720 825120973 /nfs/dbraw/zinc/12/09/73/825120973.db2.gz NSCGNXWNUHOZHW-GARJFASQSA-N 2 0 255.318 -0.994 20 0 CBADRP CCOC(=O)C1(C(=O)N[C@@H]2CCC[NH2+]C2)C[NH2+]C1 ZINC001220887100 825121020 /nfs/dbraw/zinc/12/10/20/825121020.db2.gz UORSOKYOUPYUMZ-SECBINFHSA-N 2 0 255.318 -0.993 20 0 CBADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220889721 825121100 /nfs/dbraw/zinc/12/11/00/825121100.db2.gz NSCGNXWNUHOZHW-GMTAPVOTSA-N 2 0 255.318 -0.994 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220889206 825121622 /nfs/dbraw/zinc/12/16/22/825121622.db2.gz FRHVUDIMTNFCTF-MNOVXSKESA-N 2 0 270.377 -0.656 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)c1cnc2n1CC[NH2+]CC2 ZINC001220896149 825122656 /nfs/dbraw/zinc/12/26/56/825122656.db2.gz COZRZBHZYAWXPY-SNVBAGLBSA-N 2 0 263.345 -0.489 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220900478 825122976 /nfs/dbraw/zinc/12/29/76/825122976.db2.gz KVEUEIJQMUGQIP-NXEZZACHSA-N 2 0 288.352 -0.961 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220936322 825125374 /nfs/dbraw/zinc/12/53/74/825125374.db2.gz FBPPYSWGRQQKMI-NEPJUHHUSA-N 3 0 272.393 -0.802 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCCO[C@@H]2CC[NH2+]C2)C1 ZINC001220936276 825125590 /nfs/dbraw/zinc/12/55/90/825125590.db2.gz DUNWWCMSAKICAO-UTUOFQBUSA-N 2 0 255.362 -0.131 20 0 CBADRP [NH3+][C@H](C(=O)NC1(c2ncccn2)CC1)C1CC[NH2+]CC1 ZINC001220934033 825126183 /nfs/dbraw/zinc/12/61/83/825126183.db2.gz GWGQDFKLAJHDGR-NSHDSACASA-N 2 0 275.356 -0.091 20 0 CBADRP [NH3+]CCNCC(=O)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220941061 825126868 /nfs/dbraw/zinc/12/68/68/825126868.db2.gz LOZHGOPWDVTJRF-HAQNSBGRSA-N 2 0 292.387 -0.372 20 0 CBADRP O=C(CC1CC[NH2+]CC1)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937397 825126966 /nfs/dbraw/zinc/12/69/66/825126966.db2.gz QLZTXHQCRPMMSX-GFCCVEGCSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C[C@H]1F ZINC001220937436 825127850 /nfs/dbraw/zinc/12/78/50/825127850.db2.gz RJQVIAMTCMWTHY-GMTAPVOTSA-N 2 0 259.325 -0.571 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)n1cc(C[NH3+])cnc1=N ZINC001220951075 825128644 /nfs/dbraw/zinc/12/86/44/825128644.db2.gz OZBOFLUDIGSDDF-NSHDSACASA-N 3 0 280.376 -0.479 20 0 CBADRP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976022 825130531 /nfs/dbraw/zinc/13/05/31/825130531.db2.gz GGJHHGWKHGZFAO-MCIONIFRSA-N 2 0 299.415 -0.474 20 0 CBADRP N[C@@H](C[NH3+])C(=O)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221004925 825134170 /nfs/dbraw/zinc/13/41/70/825134170.db2.gz SUDWHKZVXPTCOD-IHRRRGAJSA-N 2 0 291.399 -0.034 20 0 CBADRP C[C@@H]([NH3+])C(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001221006469 825134647 /nfs/dbraw/zinc/13/46/47/825134647.db2.gz HVRMPUAAIJVPDW-GMTAPVOTSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCO1 ZINC001221010685 825135948 /nfs/dbraw/zinc/13/59/48/825135948.db2.gz ODYXBXAIUZCTBU-YUSALJHKSA-N 2 0 255.362 -0.003 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCCc1nncs1 ZINC001221012928 825137743 /nfs/dbraw/zinc/13/77/43/825137743.db2.gz FMYAQEOKDKBTIK-QMMMGPOBSA-N 2 0 257.363 -0.347 20 0 CBADRP COC[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C1CC1 ZINC001221013080 825137752 /nfs/dbraw/zinc/13/77/52/825137752.db2.gz JJVKXZKQUFBOEF-YRGRVCCFSA-N 2 0 267.373 -0.273 20 0 CBADRP N[C@@H](C[NH3+])C(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001221056302 825139652 /nfs/dbraw/zinc/13/96/52/825139652.db2.gz NBLNAFBCDDWGRZ-SRVKXCTJSA-N 2 0 270.377 -0.968 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001221056036 825140394 /nfs/dbraw/zinc/14/03/94/825140394.db2.gz CAWLUYDZHJEXAL-XUXIUFHCSA-N 2 0 296.415 -0.707 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001221056766 825140476 /nfs/dbraw/zinc/14/04/76/825140476.db2.gz ZKXMODOCEKABSE-AVGNSLFASA-N 2 0 285.388 -0.544 20 0 CBADRP O=C(N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1)[C@H]1C[NH2+]C[C@H]1O ZINC001221056058 825140612 /nfs/dbraw/zinc/14/06/12/825140612.db2.gz CPWBTQGJFGSQND-XDQVBPFNSA-N 2 0 297.399 -0.674 20 0 CBADRP COCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073141 825141446 /nfs/dbraw/zinc/14/14/46/825141446.db2.gz HYJNUFHVXYZUNV-KGLIPLIRSA-N 2 0 299.415 -0.330 20 0 CBADRP COC(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CCC[NH3+])[nH]1 ZINC001221079522 825141957 /nfs/dbraw/zinc/14/19/57/825141957.db2.gz DBAVGILIAXGLMP-VIFPVBQESA-N 2 0 268.317 -0.516 20 0 CBADRP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091384 825142740 /nfs/dbraw/zinc/14/27/40/825142740.db2.gz MNHNLLYXFCWOJS-UPJWGTAASA-N 2 0 287.404 -0.477 20 0 CBADRP Cc1nccnc1CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221104193 825142812 /nfs/dbraw/zinc/14/28/12/825142812.db2.gz YWUIHEIPUCCMQO-BXUZGUMPSA-N 2 0 275.356 -0.400 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1O ZINC001221091178 825144000 /nfs/dbraw/zinc/14/40/00/825144000.db2.gz DWRMQPUODDTVBZ-NEPJUHHUSA-N 2 0 257.378 -0.104 20 0 CBADRP [NH3+][C@@H](C(=O)NCc1ccnn1CCF)C1CC[NH2+]CC1 ZINC001221107585 825144856 /nfs/dbraw/zinc/14/48/56/825144856.db2.gz FWRMHTCHIFCHGS-GFCCVEGCSA-N 2 0 283.351 -0.204 20 0 CBADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001221158703 825148295 /nfs/dbraw/zinc/14/82/95/825148295.db2.gz SOBNEPANIHDWHN-KGLIPLIRSA-N 2 0 299.415 -0.594 20 0 CBADRP CCn1cc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])ccc1=O ZINC001221176509 825150408 /nfs/dbraw/zinc/15/04/08/825150408.db2.gz BJDXRJQNCGDTBA-JTQLQIEISA-N 2 0 284.385 -0.174 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC001221190172 825151726 /nfs/dbraw/zinc/15/17/26/825151726.db2.gz CXOLIQKNBBHJAN-CABZTGNLSA-N 2 0 257.334 -0.617 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)C1CC2(C[NH2+]C2)C1 ZINC001221188257 825151869 /nfs/dbraw/zinc/15/18/69/825151869.db2.gz QRDSRMYVFRVYJF-JTQLQIEISA-N 2 0 269.345 -0.617 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCc1ccc(CO)cc1 ZINC001221192526 825153145 /nfs/dbraw/zinc/15/31/45/825153145.db2.gz VPFPNKZDBYURHL-ZDUSSCGKSA-N 2 0 297.424 -0.143 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1nc2cc[nH]cc-2n1 ZINC001221193894 825153547 /nfs/dbraw/zinc/15/35/47/825153547.db2.gz HKUGVDMWICKXQD-QMMMGPOBSA-N 2 0 262.317 -0.360 20 0 CBADRP C[N@@H+]1CCC[C@](C)(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001221241123 825158208 /nfs/dbraw/zinc/15/82/08/825158208.db2.gz OMRCXGRKAHFPMY-FMSGJZPZSA-N 2 0 266.389 -0.463 20 0 CBADRP C[N@@H+]1CCC[C@](C)(NC(=O)C2(N)CC[NH2+]CC2)C1 ZINC001221240846 825158956 /nfs/dbraw/zinc/15/89/56/825158956.db2.gz FPVUTXVIZSXDBL-LBPRGKRZSA-N 2 0 254.378 -0.332 20 0 CBADRP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001221244015 825160237 /nfs/dbraw/zinc/16/02/37/825160237.db2.gz OTYICEIHWCEICA-GXTWGEPZSA-N 3 0 268.405 -0.086 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221246209 825161993 /nfs/dbraw/zinc/16/19/93/825161993.db2.gz TZDRVXOQCWQAPO-GXTWGEPZSA-N 2 0 283.372 -0.085 20 0 CBADRP CCOC(=O)/C=C(/NC(=O)[C@H]([NH3+])CCC[NH3+])OCC ZINC001221262848 825164462 /nfs/dbraw/zinc/16/44/62/825164462.db2.gz REXKMTAXWUMVPN-URLRMUCDSA-N 2 0 273.333 -0.390 20 0 CBADRP [NH3+][C@@H](C(=O)N[C@H]1CCCNC(=O)C1)C1CC[NH2+]CC1 ZINC001221268833 825164907 /nfs/dbraw/zinc/16/49/07/825164907.db2.gz DWVJMHYCLZYVBH-CMPLNLGQSA-N 2 0 268.361 -0.902 20 0 CBADRP [NH3+][C@@H](C(=O)NCC(=O)NCC(F)(F)F)C1CC[NH2+]CC1 ZINC001221278017 825165711 /nfs/dbraw/zinc/16/57/11/825165711.db2.gz FHPBGAFYHUWIRJ-SECBINFHSA-N 2 0 296.293 -0.892 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H]1CCCNC(=O)C1 ZINC001221269523 825165912 /nfs/dbraw/zinc/16/59/12/825165912.db2.gz PGQUFIXZELMKIK-MNOVXSKESA-N 2 0 270.377 -0.512 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCNC(=O)C1 ZINC001221269519 825165943 /nfs/dbraw/zinc/16/59/43/825165943.db2.gz PFXBLASKVBGLBK-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221332762 825172691 /nfs/dbraw/zinc/17/26/91/825172691.db2.gz MIEQBRBHSIZYLI-STQMWFEESA-N 2 0 262.357 -0.425 20 0 CBADRP [NH3+]CCCCNC(=O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001221344579 825174506 /nfs/dbraw/zinc/17/45/06/825174506.db2.gz AROTZVSTTNHQPB-CHWSQXEVSA-N 2 0 268.405 -0.085 20 0 CBADRP [NH3+]CCCCNC(=O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001221344580 825175351 /nfs/dbraw/zinc/17/53/51/825175351.db2.gz AROTZVSTTNHQPB-OLZOCXBDSA-N 2 0 268.405 -0.085 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221368081 825178012 /nfs/dbraw/zinc/17/80/12/825178012.db2.gz XMULPGBXQSPENC-HBNTYKKESA-N 3 0 260.357 -0.351 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001221390628 825179923 /nfs/dbraw/zinc/17/99/23/825179923.db2.gz RDFHKKSVVBZDJW-GYSYKLTISA-N 3 0 296.419 -0.728 20 0 CBADRP NC1=CC=C(C2CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2)[NH2+]C1 ZINC001221392142 825180223 /nfs/dbraw/zinc/18/02/23/825180223.db2.gz SNROHJHCLUGIAK-ZDUSSCGKSA-N 3 0 293.415 -0.379 20 0 CBADRP C[C@@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1ccno1 ZINC001221397613 825180903 /nfs/dbraw/zinc/18/09/03/825180903.db2.gz OYHRZAHDWFJYJD-RKDXNWHRSA-N 2 0 250.302 -0.339 20 0 CBADRP [NH3+][C@@H](C(=O)NCCOc1ccncc1)C1CC[NH2+]CC1 ZINC001221393431 825181399 /nfs/dbraw/zinc/18/13/99/825181399.db2.gz DHMCLIGXAHCJNA-CYBMUJFWSA-N 2 0 278.356 -0.097 20 0 CBADRP CC(C)N(C(=O)[C@@H]1COC2(C[NH2+]C2)CN1)C(C)(C)C[NH3+] ZINC001221393993 825181562 /nfs/dbraw/zinc/18/15/62/825181562.db2.gz FWMSDOIWZVDETA-NSHDSACASA-N 2 0 284.404 -0.709 20 0 CBADRP CC(C)N(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C(C)(C)C[NH3+] ZINC001221394868 825181929 /nfs/dbraw/zinc/18/19/29/825181929.db2.gz WBDAKLZVPVXINV-NSHDSACASA-N 3 0 268.405 -0.230 20 0 CBADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c1 ZINC001221403619 825182322 /nfs/dbraw/zinc/18/23/22/825182322.db2.gz CTZLWIAHUXTILZ-WCFLWFBJSA-N 2 0 279.340 -0.466 20 0 CBADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@@H]1C[NH2+]CCN1 ZINC001221400150 825182558 /nfs/dbraw/zinc/18/25/58/825182558.db2.gz ZUJXIVHCLGBSSV-KBPBESRZSA-N 2 0 274.368 -0.622 20 0 CBADRP C[C@@]1(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCCOC1 ZINC001221403385 825182741 /nfs/dbraw/zinc/18/27/41/825182741.db2.gz SJWIFUVLMYXTJV-TZMCWYRMSA-N 2 0 284.404 -0.578 20 0 CBADRP C[NH+]1CCC(CO)(NC(=O)[C@@H]([NH3+])C2CCC(O)CC2)CC1 ZINC001221402588 825182762 /nfs/dbraw/zinc/18/27/62/825182762.db2.gz JAPUNLZSUFZTSF-BPCQOVAHSA-N 2 0 299.415 -0.562 20 0 CBADRP C[C@]1(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCCOC1 ZINC001221403383 825183303 /nfs/dbraw/zinc/18/33/03/825183303.db2.gz SJWIFUVLMYXTJV-OCCSQVGLSA-N 2 0 284.404 -0.578 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC1(CO)CC[NH+](C)CC1 ZINC001221403353 825183315 /nfs/dbraw/zinc/18/33/15/825183315.db2.gz RUMQVDCUBWLOEP-LBPRGKRZSA-N 3 0 286.420 -0.724 20 0 CBADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@]2(N)CC[NH2+]C2)c1 ZINC001221406006 825183645 /nfs/dbraw/zinc/18/36/45/825183645.db2.gz YQBPLVFLVVCRCS-JSGCOSHPSA-N 2 0 278.356 -0.498 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221407307 825183885 /nfs/dbraw/zinc/18/38/85/825183885.db2.gz BRBFTSQFRXOTAB-AWEZNQCLSA-N 2 0 266.389 -0.604 20 0 CBADRP COc1cccc([C@H](C[NH3+])NC(=O)C[C@@H](O)C[NH3+])c1 ZINC001221404337 825183895 /nfs/dbraw/zinc/18/38/95/825183895.db2.gz HLRILMRMQBRLNF-PWSUYJOCSA-N 2 0 267.329 -0.479 20 0 CBADRP C[NH+](C)CC1CCC(NC(=O)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001221403816 825184188 /nfs/dbraw/zinc/18/41/88/825184188.db2.gz YTVBJYXQPBTHRJ-TYUFSLCMSA-N 2 0 269.389 -0.197 20 0 CBADRP NC1(C(=O)N[C@H](C2CCC2)C2C[NH2+]C2)CC[NH2+]CC1 ZINC001221408031 825185608 /nfs/dbraw/zinc/18/56/08/825185608.db2.gz GDIMGAQJCVCUOB-GFCCVEGCSA-N 2 0 266.389 -0.428 20 0 CBADRP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221408773 825185750 /nfs/dbraw/zinc/18/57/50/825185750.db2.gz KTTRQXCCMGXVAO-IJEWVQPXSA-N 3 0 292.427 -0.310 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221414847 825187268 /nfs/dbraw/zinc/18/72/68/825187268.db2.gz UDDOLCLTHLSYBZ-SRVKXCTJSA-N 2 0 252.362 -0.963 20 0 CBADRP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@H+](CCO)C[C@H]32)CC1 ZINC001221771583 825193734 /nfs/dbraw/zinc/19/37/34/825193734.db2.gz CJNFKNLNSRBYSZ-CHWSQXEVSA-N 2 0 281.400 -0.147 20 0 CBADRP CCNC(=O)CN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789272 825194743 /nfs/dbraw/zinc/19/47/43/825194743.db2.gz NGKATJWSUROUNK-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950687 825196771 /nfs/dbraw/zinc/19/67/71/825196771.db2.gz SXXRPHYGMAOGFP-MGPQQGTHSA-N 2 0 299.415 -0.522 20 0 CBADRP CCOC(=O)CC[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222085614 825198967 /nfs/dbraw/zinc/19/89/67/825198967.db2.gz FHJCSAFWIBJPSK-UHFFFAOYSA-N 2 0 255.362 -0.033 20 0 CBADRP C([C@H]1CNCCO1)[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222086233 825199247 /nfs/dbraw/zinc/19/92/47/825199247.db2.gz UMQKREDDIRQJPT-GFCCVEGCSA-N 2 0 254.378 -0.998 20 0 CBADRP O=C1N=CNC(=O)C1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222094770 825201131 /nfs/dbraw/zinc/20/11/31/825201131.db2.gz KHMBPFYGOJMNRO-UHFFFAOYSA-N 2 0 279.344 -0.585 20 0 CBADRP C([C@H]1C[NH2+]CCO1)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492513 825211649 /nfs/dbraw/zinc/21/16/49/825211649.db2.gz ZANBROPZWWBHQR-AGIUHOORSA-N 2 0 254.378 -0.999 20 0 CBADRP [NH3+]C12CC(C[N@@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)(C1)C2 ZINC001222492006 825211579 /nfs/dbraw/zinc/21/15/79/825211579.db2.gz MXCYPHNSWVFOLG-FEPKRQSRSA-N 3 0 250.390 -0.106 20 0 CBADRP [NH3+]CCCC[N@@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001222520314 825213739 /nfs/dbraw/zinc/21/37/39/825213739.db2.gz FLIMARVGQQXHOI-ZDUSSCGKSA-N 3 0 252.362 -0.863 20 0 CBADRP Nc1[nH]c(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)c[nH+]1 ZINC001222514999 825214081 /nfs/dbraw/zinc/21/40/81/825214081.db2.gz HXAGLCIVUIGDAZ-QWRGUYRKSA-N 2 0 250.350 -0.482 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CC(=O)NC3(CC[NH2+]CC3)C2)O1 ZINC001222514704 825214907 /nfs/dbraw/zinc/21/49/07/825214907.db2.gz CPRKKLUKTXBFQB-NSHDSACASA-N 2 0 282.388 -0.735 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)O1 ZINC001222521582 825215333 /nfs/dbraw/zinc/21/53/33/825215333.db2.gz WQWVNJSXKGGDMG-NHYWBVRUSA-N 2 0 294.399 -0.878 20 0 CBADRP C(CN1CC[NH2+]C[C@]2(CCCCN2)C1)[C@H]1C[NH2+]CCO1 ZINC001222668862 825219863 /nfs/dbraw/zinc/21/98/63/825219863.db2.gz NWNFICPIFGIDQI-LSDHHAIUSA-N 2 0 282.432 -0.218 20 0 CBADRP C(CN1CC[NH2+]C[C@@]2(CCCCN2)C1)[C@@H]1C[NH2+]CCO1 ZINC001222668848 825219969 /nfs/dbraw/zinc/21/99/69/825219969.db2.gz NWNFICPIFGIDQI-CABCVRRESA-N 2 0 282.432 -0.218 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC2CC[NH+](CC(N)=O)CC2)CC1 ZINC001224261331 825235293 /nfs/dbraw/zinc/23/52/93/825235293.db2.gz RXAVVZIUXIBRGB-UHFFFAOYSA-N 2 0 296.415 -0.358 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001225228801 825255261 /nfs/dbraw/zinc/25/52/61/825255261.db2.gz ZBOFFKDTMRIODJ-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001228239394 825312921 /nfs/dbraw/zinc/31/29/21/825312921.db2.gz RUBINLNFBGWVTL-VXGBXAGGSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)CCCC(=O)NC1CCN([C@H]2CCNC2=O)CC1 ZINC001228889304 825323876 /nfs/dbraw/zinc/32/38/76/825323876.db2.gz YJORHIHWOJTQHN-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](C(N)=O)N1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001228888747 825324155 /nfs/dbraw/zinc/32/41/55/825324155.db2.gz LJMVSLXIWDUTRF-NSHDSACASA-N 2 0 296.415 -0.217 20 0 CBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)CC[NH+](C)C)CC2)C1=O ZINC001229007701 825325921 /nfs/dbraw/zinc/32/59/21/825325921.db2.gz BOQTZKAYMQZSOV-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC1CC[NH+](CCO)CC1 ZINC001230366837 825346054 /nfs/dbraw/zinc/34/60/54/825346054.db2.gz KJJDDVTZWYKAPQ-UHFFFAOYSA-N 2 0 257.378 -0.101 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001230284823 825346197 /nfs/dbraw/zinc/34/61/97/825346197.db2.gz WLAWZRKVTVHVHH-VXGBXAGGSA-N 2 0 284.404 -0.171 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1c[nH]c(=O)[nH]c1=O ZINC001231703887 825413059 /nfs/dbraw/zinc/41/30/59/825413059.db2.gz GUDNQXHGNFVUMT-UHFFFAOYSA-N 2 0 283.376 -0.187 20 0 CBADRP Cn1cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)c(=O)n(C)c1=O ZINC001231773843 825417132 /nfs/dbraw/zinc/41/71/32/825417132.db2.gz MFPOQDDHDKZVRM-UHFFFAOYSA-N 2 0 292.383 -0.388 20 0 CBADRP CC1(C)[NH2+][C@@H](CCN2CCN3CC[NH2+]C[C@H]3C2)CO1 ZINC001234973937 825478099 /nfs/dbraw/zinc/47/80/99/825478099.db2.gz IUHAUSHLBXRJNA-STQMWFEESA-N 2 0 268.405 -0.310 20 0 CBADRP CC1(C[N@@H+]2CCN3CCNC[C@@H]3C2)CC[NH2+]CC1 ZINC001234976600 825478903 /nfs/dbraw/zinc/47/89/03/825478903.db2.gz VNOIXRSULAMYHO-CYBMUJFWSA-N 2 0 252.406 -0.035 20 0 CBADRP c1cc2n(c1CN1CCNC[C@@]13CC[NH2+]C3)CC[NH2+]C2 ZINC001234990211 825480461 /nfs/dbraw/zinc/48/04/61/825480461.db2.gz UZYXOZNKLMNNGC-HNNXBMFYSA-N 2 0 275.400 -0.271 20 0 CBADRP FC1(CN2CCNC[C@@]23CC[NH2+]C3)CC[NH2+]CC1 ZINC001234978992 825480909 /nfs/dbraw/zinc/48/09/09/825480909.db2.gz CNKFRAHNQIVBFB-ZDUSSCGKSA-N 2 0 256.369 -0.285 20 0 CBADRP C[N@@H+]1CCC[C@H](CN2CCNC[C@@]23CC[NH2+]C3)C1 ZINC001234982549 825481176 /nfs/dbraw/zinc/48/11/76/825481176.db2.gz UUFVTJFXFGQOSE-KBPBESRZSA-N 2 0 252.406 -0.035 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2C[C@H]3C[NH2+]C[C@@]3(CO)C2)O1 ZINC001235002529 825482651 /nfs/dbraw/zinc/48/26/51/825482651.db2.gz RDYYIQLDESYNBB-MDZLAQPJSA-N 2 0 255.362 -0.775 20 0 CBADRP C[C@@H]([NH3+])CN1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001235143096 825486637 /nfs/dbraw/zinc/48/66/37/825486637.db2.gz HQADJMVYDHLYCS-SNVBAGLBSA-N 2 0 250.350 -0.480 20 0 CBADRP C[C@H]([NH3+])CN1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001235143074 825487247 /nfs/dbraw/zinc/48/72/47/825487247.db2.gz HQADJMVYDHLYCS-JTQLQIEISA-N 2 0 250.350 -0.480 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CC[NH2+]C[C@@]3(CCCC(=O)N3)C2)O1 ZINC001235179350 825488128 /nfs/dbraw/zinc/48/81/28/825488128.db2.gz ZJLYTSLIRXUKSA-WFASDCNBSA-N 2 0 296.415 -0.345 20 0 CBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(CC[NH3+])C2 ZINC001235268351 825490544 /nfs/dbraw/zinc/49/05/44/825490544.db2.gz AUFLGXDYMYWIKG-MNOVXSKESA-N 2 0 295.305 -0.038 20 0 CBADRP COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2CCCC[NH3+])O1 ZINC001235498271 825498873 /nfs/dbraw/zinc/49/88/73/825498873.db2.gz OTWLDKMKOYMVFD-UPJWGTAASA-N 2 0 285.388 -0.280 20 0 CBADRP COC(=O)[C@H]1C[C@H]([NH3+])CN(CC[C@H]2COC(C)(C)[NH2+]2)C1 ZINC001235778098 825513604 /nfs/dbraw/zinc/51/36/04/825513604.db2.gz VNQUSTJPBGBFJB-SRVKXCTJSA-N 2 0 285.388 -0.077 20 0 CBADRP NC(=O)[C@@H]1CN(C[C@H]([NH3+])Cc2ccccc2)CC[NH2+]1 ZINC001235753909 825513703 /nfs/dbraw/zinc/51/37/03/825513703.db2.gz GRCBMHJZXRYFOB-OLZOCXBDSA-N 2 0 262.357 -0.685 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN(C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235771255 825513813 /nfs/dbraw/zinc/51/38/13/825513813.db2.gz KEVCXDHPBFSJIQ-VWYCJHECSA-N 2 0 271.361 -0.467 20 0 CBADRP Cc1cncc(CN2CC[NH2+]CCNCC[NH2+]CC2)n1 ZINC001235869949 825514889 /nfs/dbraw/zinc/51/48/89/825514889.db2.gz LOFSMMHSEUHJDT-UHFFFAOYSA-N 2 0 278.404 -0.631 20 0 CBADRP Cn1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)n1 ZINC001235868398 825515055 /nfs/dbraw/zinc/51/50/55/825515055.db2.gz DFOVPEXBRMSYBV-UHFFFAOYSA-N 2 0 266.393 -0.996 20 0 CBADRP c1csc(CN2CC[NH2+]CCNCC[NH2+]CC2)n1 ZINC001235868879 825515116 /nfs/dbraw/zinc/51/51/16/825515116.db2.gz GJZKDNGOCYQUJJ-UHFFFAOYSA-N 2 0 269.418 -0.273 20 0 CBADRP Cn1cccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235868363 825515323 /nfs/dbraw/zinc/51/53/23/825515323.db2.gz CVRXEJGGFPRRCJ-UHFFFAOYSA-N 2 0 265.405 -0.391 20 0 CBADRP [NH3+]CCCCCC[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235868936 825515453 /nfs/dbraw/zinc/51/54/53/825515453.db2.gz HHSMYGNWFRWABR-UHFFFAOYSA-N 3 0 271.453 -0.410 20 0 CBADRP c1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)c[nH]1 ZINC001235869585 825515492 /nfs/dbraw/zinc/51/54/92/825515492.db2.gz GYGNTTHTVMCPHG-UHFFFAOYSA-N 2 0 251.378 -0.401 20 0 CBADRP Cc1cccnc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869686 825515664 /nfs/dbraw/zinc/51/56/64/825515664.db2.gz KRDAKBPIRWVIGQ-UHFFFAOYSA-N 2 0 277.416 -0.026 20 0 CBADRP c1nc(CN2CC[NH2+]CCNCC[NH2+]CC2)co1 ZINC001235871328 825516266 /nfs/dbraw/zinc/51/62/66/825516266.db2.gz SLRSHXQXAKBNDW-UHFFFAOYSA-N 2 0 253.350 -0.741 20 0 CBADRP c1coc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235871483 825516340 /nfs/dbraw/zinc/51/63/40/825516340.db2.gz UOOAQOPUQMTKBV-UHFFFAOYSA-N 2 0 252.362 -0.136 20 0 CBADRP Cc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)ccn1 ZINC001235872102 825516437 /nfs/dbraw/zinc/51/64/37/825516437.db2.gz XPYBLFJQDYDQJD-UHFFFAOYSA-N 2 0 277.416 -0.026 20 0 CBADRP Cn1ccnc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871813 825516721 /nfs/dbraw/zinc/51/67/21/825516721.db2.gz XXIPNQCVJDKOAQ-UHFFFAOYSA-N 2 0 266.393 -0.996 20 0 CBADRP c1cnn(CCCN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235871015 825516754 /nfs/dbraw/zinc/51/67/54/825516754.db2.gz QZJOPPQOZSPCHL-UHFFFAOYSA-N 2 0 280.420 -0.642 20 0 CBADRP Cc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)nn1C ZINC001235871699 825516839 /nfs/dbraw/zinc/51/68/39/825516839.db2.gz VFHCLUPXNLHNLU-UHFFFAOYSA-N 2 0 280.420 -0.687 20 0 CBADRP C([C@@H]1CCCC[NH2+]1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871803 825516909 /nfs/dbraw/zinc/51/69/09/825516909.db2.gz XRHRRZQDVVIQFV-AWEZNQCLSA-N 3 0 269.437 -0.787 20 0 CBADRP [NH3+]CCNC(=O)c1cccc(CN(CC[NH3+])CC[NH3+])c1 ZINC001235879971 825517779 /nfs/dbraw/zinc/51/77/79/825517779.db2.gz HXLZQBZQAZTSOV-UHFFFAOYSA-N 3 0 279.388 -0.906 20 0 CBADRP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001235928643 825517959 /nfs/dbraw/zinc/51/79/59/825517959.db2.gz BPOVALSXBGVQPP-PRFQISJJSA-N 2 0 298.383 -0.235 20 0 CBADRP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001235928641 825517968 /nfs/dbraw/zinc/51/79/68/825517968.db2.gz BPOVALSXBGVQPP-IIEFLBBWSA-N 2 0 298.383 -0.235 20 0 CBADRP C[NH+](C)CCN1CC[N@H+](CCCCO)CCC1=O ZINC001235961364 825518367 /nfs/dbraw/zinc/51/83/67/825518367.db2.gz ACMKBCVPTIZJSH-UHFFFAOYSA-N 2 0 257.378 -0.145 20 0 CBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C[C@@H]3CC[NH2+]3)C[C@H]1C2 ZINC001236021756 825519651 /nfs/dbraw/zinc/51/96/51/825519651.db2.gz IHMFUADDNMUEFT-KDBYPZKRSA-N 2 0 279.384 -0.321 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1C[C@H]1CCC[N@H+](C)C1 ZINC001236195319 825523333 /nfs/dbraw/zinc/52/33/33/825523333.db2.gz HEXPIDZVCFKMBJ-TUAOUCFPSA-N 2 0 255.362 -0.097 20 0 CBADRP [NH3+]CCNC(=O)c1cccc(CN2C[C@@H]3C[NH2+]C[C@H]32)c1 ZINC001236290140 825525866 /nfs/dbraw/zinc/52/58/66/825525866.db2.gz JEHAOBDUNFEOOK-UONOGXRCSA-N 2 0 274.368 -0.221 20 0 CBADRP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])CC1CC[NH2+]CC1 ZINC001236309901 825527006 /nfs/dbraw/zinc/52/70/06/825527006.db2.gz PDGHGIHYIALJIH-UHFFFAOYSA-N 4 0 285.436 -0.898 20 0 CBADRP COC(=O)[C@H]1CN(CC2(F)CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001236340809 825527213 /nfs/dbraw/zinc/52/72/13/825527213.db2.gz JYVPDIJFUIOXTA-UWVGGRQHSA-N 2 0 259.325 -0.490 20 0 CBADRP COC(=O)[C@@H]1CN(Cc2c[nH+]ccc2N)C[C@H]1[NH3+] ZINC001236345980 825527884 /nfs/dbraw/zinc/52/78/84/825527884.db2.gz RQAKOCQNEKGVBK-MWLCHTKSSA-N 2 0 250.302 -0.574 20 0 CBADRP COC(=O)[C@H]1C[N@H+](CCC23CC([NH3+])(C2)C3)C[C@H]1N ZINC001236343234 825528347 /nfs/dbraw/zinc/52/83/47/825528347.db2.gz OYHGDFCTJZEXRQ-YSARLGLZSA-N 2 0 253.346 -0.310 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C[C@@H]1C[NH2+]C(C)(C)O1)CC2 ZINC001237066824 825533448 /nfs/dbraw/zinc/53/34/48/825533448.db2.gz YYJROCQVBCCHCY-ZOWXZIJZSA-N 2 0 297.399 -0.062 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C[C@@H]1C[NH2+]C(C)(C)O1)CC2 ZINC001237066819 825533877 /nfs/dbraw/zinc/53/38/77/825533877.db2.gz YYJROCQVBCCHCY-HUBLWGQQSA-N 2 0 297.399 -0.062 20 0 CBADRP C[NH+](C)CCN(CC[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]C1 ZINC001236924702 825534178 /nfs/dbraw/zinc/53/41/78/825534178.db2.gz SERLAVXMEJIWBI-HUUCEWRRSA-N 3 0 284.448 -0.020 20 0 CBADRP CCOC(=O)[C@H]1CN(C[C@@H](C)[NH3+])CCC12C[NH2+]C2 ZINC001237411899 825535873 /nfs/dbraw/zinc/53/58/73/825535873.db2.gz QVFIYBDRJXYRFI-GHMZBOCLSA-N 3 0 255.362 -0.192 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1cccnc1N1CCC([NH3+])CC1 ZINC001237529936 825536992 /nfs/dbraw/zinc/53/69/92/825536992.db2.gz KHZYLJDUHMDCOH-UHFFFAOYSA-N 2 0 299.400 -0.291 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001238017710 825543718 /nfs/dbraw/zinc/54/37/18/825543718.db2.gz KTERVFGTQPYXMR-KCJUWKMLSA-N 2 0 283.353 -0.165 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1cccc(N2CC([NH3+])C2)c1 ZINC001237812214 825543800 /nfs/dbraw/zinc/54/38/00/825543800.db2.gz GOKWCLDDLSUHHB-UHFFFAOYSA-N 2 0 270.358 -0.466 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C[C@@H]1F ZINC001238049050 825545042 /nfs/dbraw/zinc/54/50/42/825545042.db2.gz CUTHIISXLOTRJT-WDEREUQCSA-N 2 0 279.381 -0.395 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNS(=O)(=O)[C@@H]2CC[NH2+]C2)C1 ZINC001238110978 825546921 /nfs/dbraw/zinc/54/69/21/825546921.db2.gz SWICNNPKFFTQFY-HBNTYKKESA-N 2 0 261.391 -0.487 20 0 CBADRP CN(C)S(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238231209 825549001 /nfs/dbraw/zinc/54/90/01/825549001.db2.gz WUFPCFOEXYZNDF-SNVBAGLBSA-N 2 0 276.406 -0.743 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1CCOC12C[NH2+]C2 ZINC001238228496 825549629 /nfs/dbraw/zinc/54/96/29/825549629.db2.gz NDORNUINKZDIRJ-LLVKDONJSA-N 2 0 289.401 -0.964 20 0 CBADRP [NH3+]CCS(=O)(=O)N[C@H]1CNCc2ccsc21 ZINC001238312977 825550819 /nfs/dbraw/zinc/55/08/19/825550819.db2.gz NGFKMZJWRFAXAN-QMMMGPOBSA-N 2 0 261.372 -0.230 20 0 CBADRP CCCC[N@H+](CC)CCNS(=O)(=O)CC[NH3+] ZINC001238367462 825553717 /nfs/dbraw/zinc/55/37/17/825553717.db2.gz NRPWWBCSKIDPTB-UHFFFAOYSA-N 2 0 251.396 -0.014 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1C[NH2+]CC[C@H]1F ZINC001238504303 825554440 /nfs/dbraw/zinc/55/44/40/825554440.db2.gz KXVFPLAUTPJRIC-NWDGAFQWSA-N 2 0 293.408 -0.147 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001238470012 825555000 /nfs/dbraw/zinc/55/50/00/825555000.db2.gz SMTUIEKNOZPNRN-PHIMTYICSA-N 2 0 261.391 -0.357 20 0 CBADRP [NH3+][C@H]1CC[C@H](NS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001238581200 825555989 /nfs/dbraw/zinc/55/59/89/825555989.db2.gz GBERIEOYFMQYLV-QWRGUYRKSA-N 2 0 261.391 -0.215 20 0 CBADRP [NH3+][C@H]1CCC[C@@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238583490 825556521 /nfs/dbraw/zinc/55/65/21/825556521.db2.gz SYRWVTQWOPXRLW-QWRGUYRKSA-N 2 0 261.391 -0.215 20 0 CBADRP [NH3+]CCS(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001238759899 825563034 /nfs/dbraw/zinc/56/30/34/825563034.db2.gz DNGBSUKHPUEXOT-BQBZGAKWSA-N 2 0 275.296 -0.595 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NCCO[C@@H]1CC[NH2+]C1 ZINC001238809925 825564129 /nfs/dbraw/zinc/56/41/29/825564129.db2.gz AXPCBNXHHMUIMP-GFCCVEGCSA-N 2 0 291.417 -0.716 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NCCO[C@H]1CC[NH2+]C1 ZINC001238809932 825565242 /nfs/dbraw/zinc/56/52/42/825565242.db2.gz AXPCBNXHHMUIMP-LBPRGKRZSA-N 2 0 291.417 -0.716 20 0 CBADRP Nc1ccc(S(=O)(=O)NCCC[NH2+]CCC[NH3+])cc1 ZINC001238878707 825568417 /nfs/dbraw/zinc/56/84/17/825568417.db2.gz KBNPNAQLVRLIND-UHFFFAOYSA-N 2 0 286.401 -0.124 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1C=C[C@H]2C[NH2+]C[C@@H]21 ZINC001238893127 825569286 /nfs/dbraw/zinc/56/92/86/825569286.db2.gz ZYWIUDCXVAUXKF-RWMBFGLXSA-N 2 0 285.413 -0.321 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1C=C[C@@H]2C[NH2+]C[C@@H]12 ZINC001238893124 825569851 /nfs/dbraw/zinc/56/98/51/825569851.db2.gz ZYWIUDCXVAUXKF-JHJVBQTASA-N 2 0 285.413 -0.321 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1C[C@@H]2C[NH2+][C@H]1C2 ZINC001238905945 825571460 /nfs/dbraw/zinc/57/14/60/825571460.db2.gz CPVMDCWPFHOYQB-WOPDTQHZSA-N 2 0 273.402 -0.344 20 0 CBADRP [NH3+][C@@H]1CN(S(=O)(=O)[C@H]2CC[NH2+]C2)CC(F)(F)C1 ZINC001238962224 825577264 /nfs/dbraw/zinc/57/72/64/825577264.db2.gz FLOSNCXVZJZABI-YUMQZZPRSA-N 2 0 269.317 -0.654 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CCC[C@@H]1C[NH3+] ZINC001238957079 825577679 /nfs/dbraw/zinc/57/76/79/825577679.db2.gz UHSIIQWGRAQWIJ-IJLUTSLNSA-N 2 0 275.418 -0.015 20 0 CBADRP [NH3+]C[C@]1(F)CCCCN(S(=O)(=O)[C@@H]2CC[NH2+]C2)C1 ZINC001238967026 825578373 /nfs/dbraw/zinc/57/83/73/825578373.db2.gz BZRDUKHEMHZPKJ-GHMZBOCLSA-N 2 0 279.381 -0.169 20 0 CBADRP [NH3+][C@@H]1C[C@H](F)CN(S(=O)(=O)C2CC[NH2+]CC2)C1 ZINC001238973905 825579119 /nfs/dbraw/zinc/57/91/19/825579119.db2.gz JPXJHGRRDQSNJR-DTWKUNHWSA-N 2 0 265.354 -0.561 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC2(C[NH2+]C2)C1 ZINC001239009539 825582599 /nfs/dbraw/zinc/58/25/99/825582599.db2.gz FOPBLAWWLOVBAT-UHFFFAOYSA-N 2 0 259.375 -0.779 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001239060418 825583875 /nfs/dbraw/zinc/58/38/75/825583875.db2.gz UEKHSASMOZVIBB-NEPJUHHUSA-N 2 0 273.402 -0.391 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCCCC12CC[NH2+]CC2 ZINC001239043744 825584078 /nfs/dbraw/zinc/58/40/78/825584078.db2.gz GMBFVCOVZDSSDY-UHFFFAOYSA-N 2 0 261.391 -0.117 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001239059118 825584255 /nfs/dbraw/zinc/58/42/55/825584255.db2.gz UINPKDOFSBWBOF-NWDGAFQWSA-N 2 0 273.402 -0.248 20 0 CBADRP [NH3+][C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@@H]1F ZINC001239096500 825586795 /nfs/dbraw/zinc/58/67/95/825586795.db2.gz BIIINVKVXMSRHF-VHSXEESVSA-N 2 0 265.354 -0.703 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239115030 825589892 /nfs/dbraw/zinc/58/98/92/825589892.db2.gz KDEFNIJZODNPLK-LBPRGKRZSA-N 2 0 275.418 0.000 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCC(N2CCC([NH3+])CC2)CC1 ZINC001239159314 825594823 /nfs/dbraw/zinc/59/48/23/825594823.db2.gz WQRJSQSVHVUYND-UHFFFAOYSA-N 2 0 290.433 -0.838 20 0 CBADRP CC[NH+](CC)CCCNC(=S)N[C@H]1C[NH2+]C[C@@H]1CO ZINC001239378098 825601535 /nfs/dbraw/zinc/60/15/35/825601535.db2.gz VWAPUQJGOOLUPN-NEPJUHHUSA-N 2 0 288.461 -0.237 20 0 CBADRP C[NH+](C)CCNC(=S)N1CCC[C@](O)(C[NH3+])CC1 ZINC001239406583 825602408 /nfs/dbraw/zinc/60/24/08/825602408.db2.gz PRPPOSCGOJKBJJ-GFCCVEGCSA-N 2 0 274.434 -0.402 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=S)NCC[NH+](C)C ZINC001239401318 825603207 /nfs/dbraw/zinc/60/32/07/825603207.db2.gz GLRQBEXDTMVEIO-JTQLQIEISA-N 2 0 289.449 -0.744 20 0 CBADRP CC[NH+](CC)CCCNC(=S)N1C[C@@H]([NH3+])[C@H](O)C1 ZINC001239405639 825603048 /nfs/dbraw/zinc/60/30/48/825603048.db2.gz KREFQYMRQSZNDT-GHMZBOCLSA-N 2 0 274.434 -0.403 20 0 CBADRP C[NH+](C)CCNC(=S)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001239425961 825604282 /nfs/dbraw/zinc/60/42/82/825604282.db2.gz VFBOVJPOEROFHE-GFCCVEGCSA-N 2 0 271.434 -0.940 20 0 CBADRP CC(C)(C)OC(=O)[C@@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001245973833 825616885 /nfs/dbraw/zinc/61/68/85/825616885.db2.gz KYPOYBDQXUIFRF-OUJBWJOFSA-N 2 0 292.351 -0.659 20 0 CBADRP O[C@@H](C[NH2+]C[C@H]1CCC[NH2+]C1)CN1CCOCC1 ZINC001245983059 825617714 /nfs/dbraw/zinc/61/77/14/825617714.db2.gz RQCJGRMTJDBQBQ-STQMWFEESA-N 2 0 257.378 -0.731 20 0 CBADRP O[C@@H](CN[C@@H]1C[NH2+]CC12CC2)CC1(O)CC[NH2+]CC1 ZINC001245988403 825618036 /nfs/dbraw/zinc/61/80/36/825618036.db2.gz VSAHDORYIYRZRN-VXGBXAGGSA-N 2 0 269.389 -0.807 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+]C[C@@H](O)CN1CCOCC1 ZINC001245984544 825618044 /nfs/dbraw/zinc/61/80/44/825618044.db2.gz QRPZRYPMGAZMKQ-MGPQQGTHSA-N 2 0 271.405 -0.485 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245983183 825618202 /nfs/dbraw/zinc/61/82/02/825618202.db2.gz NKPNVTXAPACIDG-IHRRRGAJSA-N 3 0 285.432 -0.170 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1C[NH2+]C[C@@H]1CO ZINC001245997511 825619239 /nfs/dbraw/zinc/61/92/39/825619239.db2.gz UNKXOQXSAILGOH-CBBWQLFWSA-N 2 0 279.384 -0.913 20 0 CBADRP O[C@H](CN[C@@H]1C[NH2+]CC[C@H]1F)CC1(O)CC[NH2+]CC1 ZINC001246013887 825620742 /nfs/dbraw/zinc/62/07/42/825620742.db2.gz IMMPTCRAEZSVBM-QJPTWQEYSA-N 2 0 275.368 -0.859 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H]1C[NH2+]CCN1 ZINC001246015559 825620928 /nfs/dbraw/zinc/62/09/28/825620928.db2.gz PHZXWDFNIVRCTG-SOUVJXGZSA-N 2 0 278.400 -0.932 20 0 CBADRP O[C@@H](C[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F)CN1CCOCC1 ZINC001246014000 825621027 /nfs/dbraw/zinc/62/10/27/825621027.db2.gz SOOJKZREHQVLSG-AVGNSLFASA-N 2 0 275.368 -0.783 20 0 CBADRP C[C@H]1CC[C@@H](C[NH3+])N1C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246016522 825621517 /nfs/dbraw/zinc/62/15/17/825621517.db2.gz LUGOZKAFUXIKSN-RWMBFGLXSA-N 2 0 271.405 -0.337 20 0 CBADRP CCOC[C@@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246017630 825622048 /nfs/dbraw/zinc/62/20/48/825622048.db2.gz CAIGIQHROQJIJE-QWRGUYRKSA-N 2 0 261.366 -0.783 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CN1CCCC[C@](O)(C[NH3+])C1 ZINC001246024880 825624013 /nfs/dbraw/zinc/62/40/13/825624013.db2.gz RLFQXWSTWKHUIU-KGLIPLIRSA-N 2 0 273.421 -0.135 20 0 CBADRP [NH3+][C@@H]1C[C@@H](F)CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246024525 825624461 /nfs/dbraw/zinc/62/44/61/825624461.db2.gz UNWUQNUUQMUUHF-UTUOFQBUSA-N 2 0 275.368 -0.777 20 0 CBADRP C[C@@H]1CC[C@@H](C[NH3+])N(C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246026579 825625504 /nfs/dbraw/zinc/62/55/04/825625504.db2.gz WGHIUPKLJXDBMO-HZSPNIEDSA-N 2 0 285.432 -0.089 20 0 CBADRP O[C@]1(CN2CC[NH2+]C[C@@]3(CCCCN3)C2)CCC[NH2+]C1 ZINC001246026738 825626018 /nfs/dbraw/zinc/62/60/18/825626018.db2.gz ITMKHFLUOSVELV-LSDHHAIUSA-N 2 0 282.432 -0.482 20 0 CBADRP O[C@H](CN1CC[C@@H]2[NH2+]CC[C@H]21)CC1(O)CC[NH2+]CC1 ZINC001246026478 825626241 /nfs/dbraw/zinc/62/62/41/825626241.db2.gz NPEOTFABBHVAGC-RWMBFGLXSA-N 2 0 269.389 -0.712 20 0 CBADRP CC(C)OC[C@H](O)C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246027928 825626414 /nfs/dbraw/zinc/62/64/14/825626414.db2.gz YXQPSVPBMUQPTM-OLZOCXBDSA-N 2 0 260.378 -0.052 20 0 CBADRP [NH3+][C@@H]1CC[N@H+](C[C@@H](O)CN2CCOCC2)CC[C@@H]1F ZINC001246025556 825626480 /nfs/dbraw/zinc/62/64/80/825626480.db2.gz CIVPYHWSCLPGHP-FRRDWIJNSA-N 2 0 275.368 -0.559 20 0 CBADRP CCCOC[C@@H](O)C[N@@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001246027877 825626686 /nfs/dbraw/zinc/62/66/86/825626686.db2.gz YPHNIOSPBPOEIH-SWLSCSKDSA-N 2 0 297.399 -0.815 20 0 CBADRP N[C@H]1CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)CCC1(F)F ZINC001246031069 825627235 /nfs/dbraw/zinc/62/72/35/825627235.db2.gz HMAQDZRSCWVCHV-QWRGUYRKSA-N 2 0 293.358 -0.480 20 0 CBADRP CCCOC[C@@H](O)CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246029117 825627543 /nfs/dbraw/zinc/62/75/43/825627543.db2.gz VHUGHTHDKANIJZ-QWHCGFSZSA-N 2 0 257.378 -0.589 20 0 CBADRP CC(C)OC[C@H](O)CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246031006 825627708 /nfs/dbraw/zinc/62/77/08/825627708.db2.gz ZPTNZDGZOPQUQQ-CHWSQXEVSA-N 2 0 257.378 -0.590 20 0 CBADRP [NH3+][C@]12CC[C@@H]1CN(C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246044960 825628692 /nfs/dbraw/zinc/62/86/92/825628692.db2.gz IKXVNTMPXLIFKG-DYEKYZERSA-N 2 0 269.389 -0.725 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246048653 825628824 /nfs/dbraw/zinc/62/88/24/825628824.db2.gz ZLORCKZORAQBCQ-WJLOJVBCSA-N 2 0 271.405 -0.405 20 0 CBADRP CC(C)OC[C@H](O)C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246048511 825628895 /nfs/dbraw/zinc/62/88/95/825628895.db2.gz YGRFLRBWCCSRNC-DAAZQVBGSA-N 2 0 258.362 -0.322 20 0 CBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@H](C)O)C[C@H]1C2 ZINC001246045835 825629645 /nfs/dbraw/zinc/62/96/45/825629645.db2.gz LHZNMMCMQMRCMC-XJGUIPMBSA-N 2 0 268.357 -0.302 20 0 CBADRP C[NH+](C)CCN(C[C@@]1(O)CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001246057784 825630417 /nfs/dbraw/zinc/63/04/17/825630417.db2.gz HHMAXZHZHNAAPN-HUUCEWRRSA-N 3 0 284.448 -0.284 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001246053428 825630580 /nfs/dbraw/zinc/63/05/80/825630580.db2.gz OMHWDVIHMMBZNQ-CBBWQLFWSA-N 2 0 261.369 -0.179 20 0 CBADRP CC[C@H]([NH3+])CN(C)C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246058339 825630699 /nfs/dbraw/zinc/63/06/99/825630699.db2.gz KCQUICVIXYVWCI-RYUDHWBXSA-N 2 0 259.394 -0.479 20 0 CBADRP O=C1CCCCN1CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246075164 825632439 /nfs/dbraw/zinc/63/24/39/825632439.db2.gz HVSYBCVPMAVNCJ-LBPRGKRZSA-N 2 0 266.389 -0.318 20 0 CBADRP C[C@@H]1CN(C[C@H](O)CC2(O)CC[NH2+]CC2)C[C@@H](C)[NH2+]1 ZINC001246068042 825632584 /nfs/dbraw/zinc/63/25/84/825632584.db2.gz GLBRQPSNXPHRDK-JHJVBQTASA-N 2 0 271.405 -0.466 20 0 CBADRP [NH3+]C[C@H]1CCCN1C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246065487 825632849 /nfs/dbraw/zinc/63/28/49/825632849.db2.gz PGPBHEONDRWAGL-NEPJUHHUSA-N 2 0 257.378 -0.725 20 0 CBADRP CC(=O)N1CCC[C@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001246086030 825633261 /nfs/dbraw/zinc/63/32/61/825633261.db2.gz YSZONCSJBISJGD-RWMBFGLXSA-N 2 0 273.352 -0.351 20 0 CBADRP c1c(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)nc2ncccn12 ZINC001246079466 825633657 /nfs/dbraw/zinc/63/36/57/825633657.db2.gz ZGZOHAWGUDHIOT-NSHDSACASA-N 2 0 272.356 -0.087 20 0 CBADRP FC(F)(F)[C@]1(N[C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001246078506 825633718 /nfs/dbraw/zinc/63/37/18/825633718.db2.gz AXJTWUKZUURHIU-ONGXEEELSA-N 2 0 278.322 -0.036 20 0 CBADRP O[C@@]1(C[NH2+][C@@H]2CCOC3(C[NH2+]C3)C2)CC[NH2+]C[C@@H]1F ZINC001246080974 825634069 /nfs/dbraw/zinc/63/40/69/825634069.db2.gz HVQCTKVWEBXMJY-NTZNESFSSA-N 3 0 273.352 -0.841 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CN1 ZINC001246095861 825634426 /nfs/dbraw/zinc/63/44/26/825634426.db2.gz GMIPJQIMRZIGOR-YFKTTZPYSA-N 2 0 255.362 -0.132 20 0 CBADRP O[C@@]1(C[NH2+]C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CC[NH2+]C[C@@H]1F ZINC001246088537 825634941 /nfs/dbraw/zinc/63/49/41/825634941.db2.gz KOYLPHZPTKFLBW-GJHMDTBVSA-N 3 0 255.337 -0.303 20 0 CBADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246089702 825635001 /nfs/dbraw/zinc/63/50/01/825635001.db2.gz RYHVRGVYQKGHBU-WDEREUQCSA-N 3 0 274.359 -0.085 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CN1 ZINC001246095859 825635043 /nfs/dbraw/zinc/63/50/43/825635043.db2.gz GMIPJQIMRZIGOR-RHYQMDGZSA-N 2 0 255.362 -0.132 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC2(C(N)=O)CCOCC2)CC[NH2+]1 ZINC001246093540 825635221 /nfs/dbraw/zinc/63/52/21/825635221.db2.gz JESFQUAJXZYYSE-WDEREUQCSA-N 2 0 255.362 -0.001 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCCN2CC[NH+](C)CC2)CN1 ZINC001246095842 825635423 /nfs/dbraw/zinc/63/54/23/825635423.db2.gz JNNNKJOLHZOHPC-STQMWFEESA-N 2 0 284.404 -0.883 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)CN1 ZINC001246110748 825636122 /nfs/dbraw/zinc/63/61/22/825636122.db2.gz OHGVOWVADGFXGU-NEPJUHHUSA-N 2 0 255.362 -0.131 20 0 CBADRP CN1CCO[C@@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246102953 825636647 /nfs/dbraw/zinc/63/66/47/825636647.db2.gz RNHGKLYDAHEYFM-NEPJUHHUSA-N 2 0 254.378 -0.999 20 0 CBADRP O=S1(=O)CC[C@H](NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001246125974 825637290 /nfs/dbraw/zinc/63/72/90/825637290.db2.gz KYPVGPAVLGTRDU-RYUDHWBXSA-N 2 0 287.429 -0.363 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246119797 825637502 /nfs/dbraw/zinc/63/75/02/825637502.db2.gz XBUXRKARIRUJAQ-MROQNXINSA-N 2 0 298.456 -0.163 20 0 CBADRP O=C1C[C@@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)CCN1 ZINC001246125119 825637656 /nfs/dbraw/zinc/63/76/56/825637656.db2.gz JHRGKCKBZZNNAN-NWDGAFQWSA-N 2 0 266.389 -0.271 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2COC3(C2)CC[NH2+]CC3)CN1 ZINC001246127163 825637664 /nfs/dbraw/zinc/63/76/64/825637664.db2.gz NLQDEIKKHKWYCF-UPJWGTAASA-N 2 0 297.399 -0.362 20 0 CBADRP O=C1C[C@@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)CCN1 ZINC001246125120 825637792 /nfs/dbraw/zinc/63/77/92/825637792.db2.gz JHRGKCKBZZNNAN-RYUDHWBXSA-N 2 0 266.389 -0.271 20 0 CBADRP O=S1(=O)CC[C@@H](NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001246125977 825638039 /nfs/dbraw/zinc/63/80/39/825638039.db2.gz KYPVGPAVLGTRDU-VXGBXAGGSA-N 2 0 287.429 -0.363 20 0 CBADRP O=S1(=O)CC[C@@H](NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001246125972 825638229 /nfs/dbraw/zinc/63/82/29/825638229.db2.gz KYPVGPAVLGTRDU-NWDGAFQWSA-N 2 0 287.429 -0.363 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@H]1COC2(C[NH2+]C2)C1 ZINC001246137767 825638581 /nfs/dbraw/zinc/63/85/81/825638581.db2.gz XBZGGIROSMMBMZ-NWDGAFQWSA-N 3 0 266.389 -0.952 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CC2(CC[NH2+]CC2)O1 ZINC001246135468 825638961 /nfs/dbraw/zinc/63/89/61/825638961.db2.gz YJDUHTOLYYTHPD-OLZOCXBDSA-N 3 0 280.416 -0.419 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001246132538 825638994 /nfs/dbraw/zinc/63/89/94/825638994.db2.gz LYBFMRKUZQJJDX-XQHKEYJVSA-N 3 0 266.389 -0.953 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC3(C[NH2+]C3)CO2)CN1 ZINC001246131058 825639481 /nfs/dbraw/zinc/63/94/81/825639481.db2.gz QPEVXBXRILQOJT-TUAOUCFPSA-N 2 0 283.372 -0.752 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@H]1COCCC13C[NH2+]C3)CCN2 ZINC001246138444 825639775 /nfs/dbraw/zinc/63/97/75/825639775.db2.gz MLVMEAUSOYLFFR-NEPJUHHUSA-N 3 0 266.389 -0.952 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)CN1 ZINC001246142015 825639802 /nfs/dbraw/zinc/63/98/02/825639802.db2.gz GQVQFEIGXCQAFH-IIRVCBMXSA-N 2 0 253.346 -0.523 20 0 CBADRP O=C1C[C@@H](NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CN1 ZINC001246138242 825640060 /nfs/dbraw/zinc/64/00/60/825640060.db2.gz BAIANKWSDMAFBO-GHMZBOCLSA-N 2 0 252.362 -0.661 20 0 CBADRP C([NH2+][C@@H]1CCCNC1)[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001246141137 825640259 /nfs/dbraw/zinc/64/02/59/825640259.db2.gz COHMVANPWXOSMU-BFHYXJOUSA-N 2 0 269.389 -0.277 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCOC23C[NH2+]C3)CN1 ZINC001246139659 825640330 /nfs/dbraw/zinc/64/03/30/825640330.db2.gz VCMTYCHGFMDFKB-UPJWGTAASA-N 2 0 297.399 -0.362 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001246143311 825640352 /nfs/dbraw/zinc/64/03/52/825640352.db2.gz HTQLTEQAIBDCJP-KFWWJZLASA-N 3 0 294.443 -0.171 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(N[C@H]2CC3CC[NH+](CC3)C2)N1 ZINC001246140754 825640414 /nfs/dbraw/zinc/64/04/14/825640414.db2.gz BOKWSWKWSXFWBF-SGMGOOAPSA-N 2 0 264.373 -0.362 20 0 CBADRP C[C@@H]1CC(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)C[C@@H](C)[NH2+]1 ZINC001246144501 825640964 /nfs/dbraw/zinc/64/09/64/825640964.db2.gz MPMSYVDLTBKDFD-MRGUHSIWSA-N 2 0 252.362 -0.317 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCO[C@]3(CC[NH2+]C3)C2)CN1 ZINC001246147164 825641091 /nfs/dbraw/zinc/64/10/91/825641091.db2.gz JYGIKMFNQTXYCG-PWNZVWSESA-N 2 0 297.399 -0.219 20 0 CBADRP C[N@@H+]1CCC[C@H](N[C@]23CC[NH2+][C@H]2CC(=O)N3)CC1 ZINC001246147903 825641252 /nfs/dbraw/zinc/64/12/52/825641252.db2.gz MJGCJUZCCJTXQN-GVXVVHGQSA-N 2 0 252.362 -0.362 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1CC[C@@H]3C[NH2+]C[C@@H]31)CCN2 ZINC001246146917 825641277 /nfs/dbraw/zinc/64/12/77/825641277.db2.gz URHUMKHIZWAJPR-VOAKCMCISA-N 3 0 250.390 -0.332 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@]3(CC[NH2+]C3)C2)CN1 ZINC001246149320 825641426 /nfs/dbraw/zinc/64/14/26/825641426.db2.gz SHWADMFJNCZPPI-ZJQBRPOHSA-N 2 0 283.372 -0.609 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CN1 ZINC001246145316 825641525 /nfs/dbraw/zinc/64/15/25/825641525.db2.gz MEDWIQIJWSWXFW-XQQFMLRXSA-N 2 0 296.415 -0.646 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1CN3CCC1CC3)CCN2 ZINC001246151633 825642477 /nfs/dbraw/zinc/64/24/77/825642477.db2.gz KFOVGAXOMFOGCG-STQMWFEESA-N 2 0 250.390 -0.236 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@@H]1CCCC[C@@]13CNCCO3)CCN2 ZINC001246157508 825643129 /nfs/dbraw/zinc/64/31/29/825643129.db2.gz BSXMMYVHEDUSBM-IIAWOOMASA-N 2 0 294.443 -0.029 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(N[C@H]2CCC3(C[NH2+]C3)C2)N1 ZINC001246154583 825643158 /nfs/dbraw/zinc/64/31/58/825643158.db2.gz VJFRTPNLXXMNDK-OUJBWJOFSA-N 2 0 250.346 -0.704 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CN1 ZINC001246159667 825643319 /nfs/dbraw/zinc/64/33/19/825643319.db2.gz ZAWDXUFGUWTEOV-ZUWCUPBKSA-N 2 0 297.399 -0.506 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@@H]1CCCC[C@@]13CNCCO3)CCN2 ZINC001246157512 825643360 /nfs/dbraw/zinc/64/33/60/825643360.db2.gz BSXMMYVHEDUSBM-SQWLQELKSA-N 2 0 294.443 -0.029 20 0 CBADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@]13CC[NH2+][C@H]1CC(=O)N3)C2 ZINC001246155049 825643380 /nfs/dbraw/zinc/64/33/80/825643380.db2.gz WUZNOCNNMXBAIM-XJBAAKRRSA-N 2 0 264.373 -0.221 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1COC3(C1)CC[NH2+]CC3)CCN2 ZINC001246168442 825644033 /nfs/dbraw/zinc/64/40/33/825644033.db2.gz DECJPYOUSNVPSZ-QWHCGFSZSA-N 3 0 280.416 -0.419 20 0 CBADRP CSCC[C@@H](CO)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246171967 825644336 /nfs/dbraw/zinc/64/43/36/825644336.db2.gz AWWXEKOBCPYPTM-QWRGUYRKSA-N 2 0 259.419 -0.216 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H]([NH3+])CC2)CN1 ZINC001246162468 825644479 /nfs/dbraw/zinc/64/44/79/825644479.db2.gz DTFSKUQQEMKCFM-BJDJZHNGSA-N 2 0 255.362 -0.003 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2COC3(C2)CC[NH2+]CC3)CN1 ZINC001246168600 825644815 /nfs/dbraw/zinc/64/48/15/825644815.db2.gz DZOZJKSQXMMQLZ-AVGNSLFASA-N 2 0 297.399 -0.219 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@H]1COC3(C1)CC[NH2+]CC3)CCN2 ZINC001246168440 825644825 /nfs/dbraw/zinc/64/48/25/825644825.db2.gz DECJPYOUSNVPSZ-CHWSQXEVSA-N 3 0 280.416 -0.419 20 0 CBADRP O=C(NCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1ccncc1 ZINC001246170766 825644880 /nfs/dbraw/zinc/64/48/80/825644880.db2.gz NMFAPHNBVVIMMF-CYBMUJFWSA-N 2 0 289.383 -0.505 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2COC3(C2)CC[NH2+]CC3)CN1 ZINC001246166435 825644900 /nfs/dbraw/zinc/64/49/00/825644900.db2.gz AEXKASPZAFKHQA-TUAOUCFPSA-N 2 0 283.372 -0.609 20 0 CBADRP O=C(CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)NCc1ccco1 ZINC001246181289 825645720 /nfs/dbraw/zinc/64/57/20/825645720.db2.gz NKTPFIIZQPDXPZ-GFCCVEGCSA-N 2 0 292.383 -0.031 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@H+](C)CC2)CN1 ZINC001246182808 825647143 /nfs/dbraw/zinc/64/71/43/825647143.db2.gz AAEABULWUNIFQB-TUAOUCFPSA-N 2 0 255.362 -0.036 20 0 CBADRP NC(=O)c1ccc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246182731 825647381 /nfs/dbraw/zinc/64/73/81/825647381.db2.gz BRFDNQVCCCZQFL-ZDUSSCGKSA-N 2 0 274.368 -0.031 20 0 CBADRP [NH3+]C1CC2(C1)CC([NH2+][C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246185403 825647479 /nfs/dbraw/zinc/64/74/79/825647479.db2.gz UPJKAJBRGCOENO-QVBJCFTNSA-N 3 0 250.390 -0.060 20 0 CBADRP OCC1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCOCC1 ZINC001246184863 825647502 /nfs/dbraw/zinc/64/75/02/825647502.db2.gz QDZXVIVCMGLEHQ-LLVKDONJSA-N 2 0 255.362 -0.789 20 0 CBADRP O=S1(=O)CCC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246196130 825649587 /nfs/dbraw/zinc/64/95/87/825649587.db2.gz MPEHDXOWIUJPMC-LLVKDONJSA-N 2 0 273.402 -0.753 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H](NC(=[NH2+])SCC[NH3+])CN1 ZINC001246211464 825650854 /nfs/dbraw/zinc/65/08/54/825650854.db2.gz KBCJQOLWEMPQCO-SFYZADRCSA-N 2 0 260.363 -0.504 20 0 CBADRP O=C(NCC[NH2+]C1CC[NH2+]CC1)N1CCOCC1 ZINC001246208826 825651234 /nfs/dbraw/zinc/65/12/34/825651234.db2.gz FLTHODKNKAGPSY-UHFFFAOYSA-N 2 0 256.350 -0.630 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C2CN(C3CC[NH2+]CC3)C2)CN1 ZINC001246216470 825651872 /nfs/dbraw/zinc/65/18/72/825651872.db2.gz APRCPVXOIHCBKZ-FZMZJTMJSA-N 2 0 296.415 -0.694 20 0 CBADRP OC[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246214851 825652005 /nfs/dbraw/zinc/65/20/05/825652005.db2.gz VLFKUEIPUNRXKE-UONOGXRCSA-N 2 0 291.395 -0.021 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+]C1CN(C3CC[NH2+]CC3)C1)CCN2 ZINC001246214611 825652095 /nfs/dbraw/zinc/65/20/95/825652095.db2.gz JOEUIBHHRKLYMZ-LBPRGKRZSA-N 3 0 279.432 -0.894 20 0 CBADRP O=S1(=O)CC2(CC([NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246219690 825652887 /nfs/dbraw/zinc/65/28/87/825652887.db2.gz ZPXJZSQODBSGKA-SNVBAGLBSA-N 2 0 285.413 -0.753 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C1(N2CCCC2)COC1 ZINC001246221096 825653076 /nfs/dbraw/zinc/65/30/76/825653076.db2.gz IDUNHZWYYWNBLE-CYBMUJFWSA-N 2 0 280.416 -0.465 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@@H]3C[NH2+]C[C@@H]32)CN1 ZINC001246220449 825653098 /nfs/dbraw/zinc/65/30/98/825653098.db2.gz JTHZFZXMBNTHAD-GCHJQGSQSA-N 2 0 253.346 -0.523 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]CC2)CN1 ZINC001246226963 825653253 /nfs/dbraw/zinc/65/32/53/825653253.db2.gz SOGUIAXGRYUKGV-SRVKXCTJSA-N 2 0 255.362 -0.131 20 0 CBADRP COC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246222732 825653450 /nfs/dbraw/zinc/65/34/50/825653450.db2.gz OBWPINYCARJAFQ-GMTAPVOTSA-N 2 0 253.346 -0.378 20 0 CBADRP OC1CCN(CC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246241179 825656001 /nfs/dbraw/zinc/65/60/01/825656001.db2.gz YAIOCBPMGDMNFX-GFCCVEGCSA-N 2 0 268.405 -0.873 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@H](C)C2CC[NH2+]CC2)CN1 ZINC001246253582 825656429 /nfs/dbraw/zinc/65/64/29/825656429.db2.gz VFIMQNKMEWZCKS-USWWRNFRSA-N 2 0 255.362 -0.132 20 0 CBADRP O[C@H](C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(F)(F)F ZINC001246256309 825656560 /nfs/dbraw/zinc/65/65/60/825656560.db2.gz OFPLYOXANPPFEE-HTQZYQBOSA-N 2 0 253.268 -0.407 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCN(C)CC2)CC[NH2+]1 ZINC001246254450 825657173 /nfs/dbraw/zinc/65/71/73/825657173.db2.gz HNBRPWHRODUEHD-OLZOCXBDSA-N 2 0 268.405 -0.119 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH2+][C@H]1CC[NH2+][C@@H](C)C1)C(N)=O ZINC001246266525 825657836 /nfs/dbraw/zinc/65/78/36/825657836.db2.gz CKFLADPIKPNCHF-DRZSPHRISA-N 2 0 284.404 -0.123 20 0 CBADRP O[C@H](C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1cccnc1 ZINC001246264297 825658470 /nfs/dbraw/zinc/65/84/70/825658470.db2.gz GGUMQQNNXUNUAY-CHWSQXEVSA-N 2 0 262.357 -0.201 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)CN1 ZINC001246279503 825658862 /nfs/dbraw/zinc/65/88/62/825658862.db2.gz LFZKFFKTPSQIHP-UTUOFQBUSA-N 2 0 255.362 -0.131 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)CN1 ZINC001246279504 825659046 /nfs/dbraw/zinc/65/90/46/825659046.db2.gz LFZKFFKTPSQIHP-WOPDTQHZSA-N 2 0 255.362 -0.131 20 0 CBADRP CC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246279290 825659792 /nfs/dbraw/zinc/65/97/92/825659792.db2.gz MLSGTDHPIPXFFP-NEPJUHHUSA-N 2 0 252.362 -0.709 20 0 CBADRP C[NH+](C)CCCN(CCC[NH3+])[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246278048 825659797 /nfs/dbraw/zinc/65/97/97/825659797.db2.gz JGDMJUUWSWSIOE-CQSZACIVSA-N 3 0 283.464 -0.317 20 0 CBADRP COC(=O)C1(N[C@H]2CCNC3(C[NH2+]C3)C2)CC[NH+](C)CC1 ZINC001246289468 825660393 /nfs/dbraw/zinc/66/03/93/825660393.db2.gz KPBIBKHCCSERLH-LBPRGKRZSA-N 2 0 296.415 -0.693 20 0 CBADRP CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246290592 825660400 /nfs/dbraw/zinc/66/04/00/825660400.db2.gz GIQMWFHSJPGQRM-IJLUTSLNSA-N 2 0 252.362 -0.663 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[NH2+][C@H](C)C1 ZINC001246300589 825661971 /nfs/dbraw/zinc/66/19/71/825661971.db2.gz SBGWDVZHZSQQOR-WRWGMCAJSA-N 2 0 255.362 -0.132 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CCN2 ZINC001246309958 825663032 /nfs/dbraw/zinc/66/30/32/825663032.db2.gz CFWYPAXFSGVGRU-RNJOBUHISA-N 3 0 250.390 -0.047 20 0 CBADRP OC[C@@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1ccncc1 ZINC001246310879 825663598 /nfs/dbraw/zinc/66/35/98/825663598.db2.gz OIQFZWVXRWIJCD-CHWSQXEVSA-N 2 0 262.357 -0.201 20 0 CBADRP OC[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CCOC1 ZINC001246326642 825664064 /nfs/dbraw/zinc/66/40/64/825664064.db2.gz FWQDHMNMGYIJNX-WOPDTQHZSA-N 2 0 255.362 -0.933 20 0 CBADRP COC(=O)[C@@H](N[C@@H]1CCNC2(C[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC001246332061 825665154 /nfs/dbraw/zinc/66/51/54/825665154.db2.gz YPALHVOTFRRFIJ-OLZOCXBDSA-N 2 0 296.415 -0.789 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CSCCN1 ZINC001246335254 825665399 /nfs/dbraw/zinc/66/53/99/825665399.db2.gz HFZCEKAVKFAGDE-MNOVXSKESA-N 2 0 256.419 -0.625 20 0 CBADRP COC(=O)[C@H](N[C@@H]1CCNC2(C[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC001246332059 825665742 /nfs/dbraw/zinc/66/57/42/825665742.db2.gz YPALHVOTFRRFIJ-CHWSQXEVSA-N 2 0 296.415 -0.789 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCO[C@]23CC[NH2+]C3)CN1 ZINC001246331173 825665891 /nfs/dbraw/zinc/66/58/91/825665891.db2.gz DKBLPEMGVWDQAK-FMSGJZPZSA-N 2 0 283.372 -0.609 20 0 CBADRP CC(=O)NC[C@H](C)C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246337293 825666019 /nfs/dbraw/zinc/66/60/19/825666019.db2.gz UEABIDPSVOJNIH-JQWIXIFHSA-N 2 0 254.378 -0.558 20 0 CBADRP O=S1(=O)CCN(CC[NH2+]C2CC[NH2+]CC2)CC1 ZINC001246337402 825666728 /nfs/dbraw/zinc/66/67/28/825666728.db2.gz VANLUCAXWIOMSJ-UHFFFAOYSA-N 2 0 261.391 -0.942 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@H]1CCC[C@H]1N1CCOCC1)CCN2 ZINC001246338143 825666792 /nfs/dbraw/zinc/66/67/92/825666792.db2.gz XJQNBFLIDCAOMQ-QLFBSQMISA-N 2 0 294.443 -0.077 20 0 CBADRP O=S1(=O)CCN(CCC[NH2+]C2CC[NH2+]CC2)CC1 ZINC001246337937 825667024 /nfs/dbraw/zinc/66/70/24/825667024.db2.gz YDUYZPJRWFASPZ-UHFFFAOYSA-N 2 0 275.418 -0.552 20 0 CBADRP CC(=O)NCCCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246340550 825667172 /nfs/dbraw/zinc/66/71/72/825667172.db2.gz IHESQVDYMMRYTD-LBPRGKRZSA-N 2 0 254.378 -0.414 20 0 CBADRP CCOC(=O)C1=C(N[C@H]2CCNC3(C[NH2+]C3)C2)C[NH2+]C1 ZINC001246350689 825668367 /nfs/dbraw/zinc/66/83/67/825668367.db2.gz NZTZUHBCKAZYEN-JTQLQIEISA-N 2 0 280.372 -0.910 20 0 CBADRP COC(=O)CC1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246361299 825669345 /nfs/dbraw/zinc/66/93/45/825669345.db2.gz BUSOKRBQCJHCRA-LBPRGKRZSA-N 3 0 296.415 -0.645 20 0 CBADRP COCCOCCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246357967 825669531 /nfs/dbraw/zinc/66/95/31/825669531.db2.gz WWALLRGLYUQMMG-GFCCVEGCSA-N 2 0 257.378 -0.277 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@@H]1CCN(C3CC[NH2+]CC3)C1)CCN2 ZINC001246372468 825670551 /nfs/dbraw/zinc/67/05/51/825670551.db2.gz LZBPVGMXMJYKKM-UONOGXRCSA-N 3 0 293.459 -0.504 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC1C[C@@H]2COC[C@H](C1)N2C ZINC001246402469 825670577 /nfs/dbraw/zinc/67/05/77/825670577.db2.gz WPHHHGBULXJBKM-WVMKXHBISA-N 2 0 285.388 -0.282 20 0 CBADRP [NH3+]C1CCN(CC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246403737 825670694 /nfs/dbraw/zinc/67/06/94/825670694.db2.gz HNDSPYPEYUVPQL-ZDUSSCGKSA-N 3 0 267.421 -0.907 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])N[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246401958 825670759 /nfs/dbraw/zinc/67/07/59/825670759.db2.gz QOBXXCOAEMRNLC-MNOVXSKESA-N 2 0 255.362 -0.001 20 0 CBADRP COC(=O)c1ccc(C[NH3+])n1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246411361 825671273 /nfs/dbraw/zinc/67/12/73/825671273.db2.gz PBWLJQJNJIBGCK-JTQLQIEISA-N 2 0 278.356 0.000 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCC2(C[NH2+]C2)C1 ZINC001246414011 825671322 /nfs/dbraw/zinc/67/13/22/825671322.db2.gz GPWGGGCQWATWNP-QWRGUYRKSA-N 3 0 254.378 -0.299 20 0 CBADRP CC(=O)N1CC[C@H](C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246409291 825671573 /nfs/dbraw/zinc/67/15/73/825671573.db2.gz XXPRYTGVQUNHLK-OLZOCXBDSA-N 2 0 266.389 -0.462 20 0 CBADRP CC1(C)CNC[C@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)O1 ZINC001246414360 825672000 /nfs/dbraw/zinc/67/20/00/825672000.db2.gz SGFXJZRHOXRRCW-VXGBXAGGSA-N 2 0 268.405 -0.563 20 0 CBADRP CCOC(=O)CN1CCC([NH2+][C@H]2CC23C[NH2+]C3)CC1 ZINC001246441942 825673128 /nfs/dbraw/zinc/67/31/28/825673128.db2.gz AYGCYJNKNKZRTG-LBPRGKRZSA-N 2 0 267.373 -0.035 20 0 CBADRP CCOC(=O)[C@H](N)C[NH2+]C1CCC2(C[NH2+]C2)CC1 ZINC001246420834 825673144 /nfs/dbraw/zinc/67/31/44/825673144.db2.gz YRMPBGVNRPTJDP-LLVKDONJSA-N 2 0 255.362 -0.001 20 0 CBADRP O=C([C@@H]1C[C@H](N[C@@H]2CC23C[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246443922 825673645 /nfs/dbraw/zinc/67/36/45/825673645.db2.gz IMTDRDOUBUNGPX-GARJFASQSA-N 2 0 282.413 -0.799 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[NH2+]CCCC[NH3+])CN1 ZINC001246454943 825673986 /nfs/dbraw/zinc/67/39/86/825673986.db2.gz BJWWYKPIQNAGGF-OLZOCXBDSA-N 3 0 286.420 -0.412 20 0 CBADRP [NH3+]CCCNCCC[NH2+][C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246456660 825674760 /nfs/dbraw/zinc/67/47/60/825674760.db2.gz KYSCXGILIKUHBM-NSHDSACASA-N 3 0 258.435 -0.248 20 0 CBADRP O=C1C[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCCN1 ZINC001246461487 825674925 /nfs/dbraw/zinc/67/49/25/825674925.db2.gz JSXWKAAPVKAILO-WDEREUQCSA-N 2 0 252.362 -0.661 20 0 CBADRP O[C@@H](C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1ccncc1 ZINC001246464176 825674950 /nfs/dbraw/zinc/67/49/50/825674950.db2.gz GESJTRAUEZIZSR-OLZOCXBDSA-N 2 0 262.357 -0.201 20 0 CBADRP [NH3+]CCCC[NH2+]CCC[NH2+][C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246458169 825675065 /nfs/dbraw/zinc/67/50/65/825675065.db2.gz TXCDGKSVDJCNSN-ZDUSSCGKSA-N 4 0 270.421 -0.184 20 0 CBADRP O=S1(=O)CC[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)C1 ZINC001246477293 825675749 /nfs/dbraw/zinc/67/57/49/825675749.db2.gz NRKCEPHKMHDXGI-AEJSXWLSSA-N 2 0 250.339 -0.289 20 0 CBADRP COC(=O)[C@@H]1CC[C@H](N2CC[NH+](CCCC[NH3+])CC2)CN1 ZINC001246479378 825676162 /nfs/dbraw/zinc/67/61/62/825676162.db2.gz UMCPHPRNQZVYIH-KBPBESRZSA-N 2 0 298.431 -0.364 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](N2CC[NH+](CCCC[NH3+])CC2)CN1 ZINC001246477702 825676329 /nfs/dbraw/zinc/67/63/29/825676329.db2.gz JJAILZOMGFRMNU-OLZOCXBDSA-N 2 0 284.404 -0.754 20 0 CBADRP C1CC12C[NH2+]CC[C@H]2[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246475276 825676643 /nfs/dbraw/zinc/67/66/43/825676643.db2.gz UOUIQCCGIQAWSL-NWDGAFQWSA-N 3 0 250.390 -0.188 20 0 CBADRP FC(F)(F)CN1CC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246500887 825677322 /nfs/dbraw/zinc/67/73/22/825677322.db2.gz ZSRGQWNPBVEBDA-SECBINFHSA-N 2 0 278.322 -0.084 20 0 CBADRP CC(=O)N1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246521936 825679980 /nfs/dbraw/zinc/67/99/80/825679980.db2.gz CODMEFHHTBOSFU-ZDUSSCGKSA-N 2 0 266.389 -0.365 20 0 CBADRP CN(C)C(=O)N1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246522853 825680260 /nfs/dbraw/zinc/68/02/60/825680260.db2.gz GYAKORMUUPJIQD-LBPRGKRZSA-N 2 0 281.404 -0.620 20 0 CBADRP CC[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)OC)NC1)C1C[NH2+]C1 ZINC001246519623 825680449 /nfs/dbraw/zinc/68/04/49/825680449.db2.gz SWUIWFPGVLYJAS-TUAOUCFPSA-N 2 0 255.362 -0.132 20 0 CBADRP NC(=O)[C@@H]([NH3+])Cc1cn(C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC001246523818 825680479 /nfs/dbraw/zinc/68/04/79/825680479.db2.gz MQJKKRLYMKFVQT-BTTNHGBXSA-N 2 0 263.345 -0.306 20 0 CBADRP C[C@H]1C[C@H](n2cnc(C[C@H]([NH3+])C(N)=O)c2)CC[NH2+]1 ZINC001246524995 825680487 /nfs/dbraw/zinc/68/04/87/825680487.db2.gz QTHGFJZEBWOVAA-GDPRMGEGSA-N 2 0 251.334 -0.449 20 0 CBADRP C[C@H]1CC[C@@H](n2cnc(C[C@H]([NH3+])C(N)=O)c2)C[NH2+]1 ZINC001246526623 825681264 /nfs/dbraw/zinc/68/12/64/825681264.db2.gz VXBFYLNKVPITNY-GDPRMGEGSA-N 2 0 251.334 -0.449 20 0 CBADRP CCOC(=O)c1cn([C@@H]2CCNC3(C[NH2+]C3)C2)nc1C[NH3+] ZINC001246534313 825681322 /nfs/dbraw/zinc/68/13/22/825681322.db2.gz XHGBLZLGFGBOJO-SNVBAGLBSA-N 2 0 293.371 -0.215 20 0 CBADRP Cc1cc(N(C(N)=[NH2+])[C@@H]2CCNC3(C[NH2+]C3)C2)n[nH]1 ZINC001246532561 825681972 /nfs/dbraw/zinc/68/19/72/825681972.db2.gz RRMWUIZNOFAFSI-SECBINFHSA-N 2 0 263.349 -0.488 20 0 CBADRP [NH3+]C[C@]1(O)CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246546261 825682679 /nfs/dbraw/zinc/68/26/79/825682679.db2.gz ZDSXCCXXGCTMQT-JSGCOSHPSA-N 3 0 268.405 -0.744 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)CN1 ZINC001246546986 825683138 /nfs/dbraw/zinc/68/31/38/825683138.db2.gz BPSKRAGGZBKEGZ-MBNYWOFBSA-N 2 0 285.388 -0.544 20 0 CBADRP C[N@H+](C[C@H]1CNCCO1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246556057 825684143 /nfs/dbraw/zinc/68/41/43/825684143.db2.gz HMNUAIAFLQOQCM-NWDGAFQWSA-N 2 0 254.378 -0.999 20 0 CBADRP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246555063 825684472 /nfs/dbraw/zinc/68/44/72/825684472.db2.gz BFNUUDNBWRXZRN-MNOVXSKESA-N 3 0 274.359 -0.004 20 0 CBADRP C[N@H+](C[C@@H]1CNCCO1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246556058 825684657 /nfs/dbraw/zinc/68/46/57/825684657.db2.gz HMNUAIAFLQOQCM-RYUDHWBXSA-N 2 0 254.378 -0.999 20 0 CBADRP C[C@@H](CC(=O)N1CCOCC1)[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246565214 825685516 /nfs/dbraw/zinc/68/55/16/825685516.db2.gz YLHLVUOKESFUGK-ZFWWWQNUSA-N 2 0 299.415 -0.201 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)CCN1 ZINC001246562521 825685953 /nfs/dbraw/zinc/68/59/53/825685953.db2.gz STAFYXHHUWIFLU-SGMGOOAPSA-N 2 0 285.388 -0.544 20 0 CBADRP C[C@@H](CC(=O)N1CCOCC1)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246559308 825686345 /nfs/dbraw/zinc/68/63/45/825686345.db2.gz ODSYCISGYZCFMS-QJPTWQEYSA-N 2 0 271.361 -0.982 20 0 CBADRP C[C@@H](CC(=O)N1CCOCC1)[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246565202 825686352 /nfs/dbraw/zinc/68/63/52/825686352.db2.gz YLHLVUOKESFUGK-DZGCQCFKSA-N 2 0 299.415 -0.201 20 0 CBADRP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCC[C@H](n3ncnn3)C2)C[C@H]1O ZINC001246567478 825688139 /nfs/dbraw/zinc/68/81/39/825688139.db2.gz KXRFCOWPLZFHHE-NNYUYHANSA-N 2 0 266.349 -0.449 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCN3C(=O)CC[C@H]3C2)C[C@H]1O ZINC001246579334 825688870 /nfs/dbraw/zinc/68/88/70/825688870.db2.gz ILHKFOFJUJUYTE-WHOHXGKFSA-N 2 0 253.346 -0.609 20 0 CBADRP CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CO1 ZINC001246577994 825689041 /nfs/dbraw/zinc/68/90/41/825689041.db2.gz CXHJAUFOCWLSNP-IRCOFANPSA-N 2 0 272.345 -0.652 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246580668 825690158 /nfs/dbraw/zinc/69/01/58/825690158.db2.gz NETQMOQDPJUOGV-KXNHARMFSA-N 2 0 256.346 -0.030 20 0 CBADRP COC(=O)[C@H]1CCC[C@@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246579627 825690469 /nfs/dbraw/zinc/69/04/69/825690469.db2.gz FXGPQPKVVPCEOM-YFKTTZPYSA-N 2 0 256.346 -0.030 20 0 CBADRP CCOC(=O)[C@H]1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246580667 825690478 /nfs/dbraw/zinc/69/04/78/825690478.db2.gz NETQMOQDPJUOGV-BJDJZHNGSA-N 2 0 256.346 -0.030 20 0 CBADRP C[C@]1(CO)CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1O ZINC001246589377 825691801 /nfs/dbraw/zinc/69/18/01/825691801.db2.gz CSSVMCZBHLVMLW-JHJVBQTASA-N 2 0 269.389 -0.854 20 0 CBADRP C[C@@]1(O)COCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246593965 825692851 /nfs/dbraw/zinc/69/28/51/825692851.db2.gz UNJCVEZBIPTYTO-RYUDHWBXSA-N 2 0 255.362 -0.836 20 0 CBADRP CCOC(=O)C1=C(O)CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246590794 825692907 /nfs/dbraw/zinc/69/29/07/825692907.db2.gz AGMRMPVFEJKYDV-NWDGAFQWSA-N 2 0 295.383 -0.466 20 0 CBADRP COC(=O)[C@@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246595512 825692956 /nfs/dbraw/zinc/69/29/56/825692956.db2.gz SYRKRZMYIJFTQL-MNOVXSKESA-N 2 0 253.346 -0.425 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCNC3(CC[NH2+]CC3)C1)CCN2 ZINC001246599859 825693501 /nfs/dbraw/zinc/69/35/01/825693501.db2.gz DYYDASWGXPBRKP-ZDUSSCGKSA-N 3 0 279.432 -0.892 20 0 CBADRP CC(=O)N1CC[C@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)C1 ZINC001246605881 825693661 /nfs/dbraw/zinc/69/36/61/825693661.db2.gz RIEOFONEJYPFSD-ZDUSSCGKSA-N 2 0 266.389 -0.365 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCNC3(CC[NH2+]CC3)C1)CCO2 ZINC001246598466 825693816 /nfs/dbraw/zinc/69/38/16/825693816.db2.gz BHQPCCZSQOOYJB-ZDUSSCGKSA-N 2 0 280.416 -0.465 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246600684 825694038 /nfs/dbraw/zinc/69/40/38/825694038.db2.gz RJMDHZRTZONOAK-UTUOFQBUSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H]1CC[C@@H](N2CCOC[C@]3(C[NH2+]CCO3)C2)C[NH2+]1 ZINC001246599335 825694118 /nfs/dbraw/zinc/69/41/18/825694118.db2.gz CHTSCUAAMKNDNY-MCIONIFRSA-N 2 0 269.389 -0.182 20 0 CBADRP Cc1nc(CN(C)[C@@H]2CCNC3(C[NH2+]C3)C2)no1 ZINC001246603276 825694385 /nfs/dbraw/zinc/69/43/85/825694385.db2.gz YPGGXWGQFNXPAN-SNVBAGLBSA-N 2 0 251.334 -0.096 20 0 CBADRP Cc1nc(CC[N@@H+](C)[C@H]2CCNC3(C[NH2+]C3)C2)no1 ZINC001246598475 825694523 /nfs/dbraw/zinc/69/45/23/825694523.db2.gz OAKYFISBUOWUDF-NSHDSACASA-N 2 0 265.361 -0.054 20 0 CBADRP CC(=O)N1CC[C@@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)C1 ZINC001246605879 825694583 /nfs/dbraw/zinc/69/45/83/825694583.db2.gz RIEOFONEJYPFSD-CYBMUJFWSA-N 2 0 266.389 -0.365 20 0 CBADRP O=C1C[C@@H]([N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CCN1 ZINC001246619451 825695026 /nfs/dbraw/zinc/69/50/26/825695026.db2.gz RJRWCAVMQFOUNJ-SRVKXCTJSA-N 2 0 252.362 -0.709 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCO[C@]3(CCOC3)C1)CCN2 ZINC001246612618 825695124 /nfs/dbraw/zinc/69/51/24/825695124.db2.gz BFIPDTZMBPSCSJ-TZMCWYRMSA-N 2 0 267.373 -0.428 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CC[C@]3(CCC[NH2+]3)C1)CCN2 ZINC001246611876 825695665 /nfs/dbraw/zinc/69/56/65/825695665.db2.gz DSHAEYMIZRHPKB-CHWSQXEVSA-N 2 0 250.390 -0.092 20 0 CBADRP C[C@@H]1CC[C@@H](N2CC(=O)NC[C@]23CC[NH2+]C3)C[NH2+]1 ZINC001246614317 825695673 /nfs/dbraw/zinc/69/56/73/825695673.db2.gz ATKBULAABBLKFR-NQBHXWOUSA-N 2 0 252.362 -0.709 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](N2CCN[C@H]3CC[NH2+]CC[C@@H]32)CCN1 ZINC001246618581 825695874 /nfs/dbraw/zinc/69/58/74/825695874.db2.gz MSYJWBRQSMRGGT-XUXIUFHCSA-N 2 0 296.415 -0.694 20 0 CBADRP C[C@@H]1CC[C@H](N2CC(=O)NC3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246623143 825696635 /nfs/dbraw/zinc/69/66/35/825696635.db2.gz BFTPEPIMAYEOGR-NEPJUHHUSA-N 2 0 266.389 -0.319 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CCO[C@]3(CCC[NH2+]C3)C1)CCN2 ZINC001246622747 825696710 /nfs/dbraw/zinc/69/67/10/825696710.db2.gz RVTQKUIJGSMYBR-HIFRSBDPSA-N 2 0 280.416 -0.465 20 0 CBADRP C1C[C@H]2CC(N3CCN4CC[NH2+]C[C@H]4C3)C[C@@H]1[NH2+]2 ZINC001246621194 825697044 /nfs/dbraw/zinc/69/70/44/825697044.db2.gz FEZDUURTQQGHEP-PIGZVRMJSA-N 2 0 250.390 -0.141 20 0 CBADRP O=C1NCC[C@@]12CN(C1CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001246630822 825697874 /nfs/dbraw/zinc/69/78/74/825697874.db2.gz VPNDVESFQCMRFA-CQSZACIVSA-N 2 0 264.373 -0.850 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCO[C@@H]3C[NH2+]C[C@@H]3C1)CCN2 ZINC001246628470 825697967 /nfs/dbraw/zinc/69/79/67/825697967.db2.gz ZPENWZVUUCKPQS-FRRDWIJNSA-N 3 0 266.389 -0.999 20 0 CBADRP C1C[C@]2(C[NH2+]1)CN([C@@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CCN2 ZINC001246638744 825699132 /nfs/dbraw/zinc/69/91/32/825699132.db2.gz CUORCBFVPVUYMV-CRWXNKLISA-N 2 0 250.390 -0.093 20 0 CBADRP c1nnn([C@@H]2CCC[C@H]([N@H+]3CCN[C@]4(CC[NH2+]C4)C3)C2)n1 ZINC001246633339 825699616 /nfs/dbraw/zinc/69/96/16/825699616.db2.gz CIHLDIPHMMBSLS-MJBXVCDLSA-N 2 0 291.403 -0.206 20 0 CBADRP C1C[C@]2(C[NH2+]1)CN(C1C[C@@H]3COC[C@H](C1)[NH2+]3)CCN2 ZINC001246644271 825700453 /nfs/dbraw/zinc/70/04/53/825700453.db2.gz RQJCPSRFLZAGAS-PIGZVRMJSA-N 2 0 266.389 -0.857 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH+]1CC3(C1)CC[NH2+]CC3)CCN2 ZINC001246641416 825701348 /nfs/dbraw/zinc/70/13/48/825701348.db2.gz ZLYMEEMOFQEJCT-LBPRGKRZSA-N 3 0 250.390 -0.234 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCC[C@]3(CNCCO3)C1)CCN2 ZINC001246645112 825702445 /nfs/dbraw/zinc/70/24/45/825702445.db2.gz BCJBQUJMCVRFJS-HIFRSBDPSA-N 2 0 280.416 -0.465 20 0 CBADRP c1nnc2n1CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246646951 825702937 /nfs/dbraw/zinc/70/29/37/825702937.db2.gz YBSBSGTXLDIEAO-LLVKDONJSA-N 2 0 262.361 -0.770 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCN[C@]3(CC[NH2+]C3)C1)CS2 ZINC001246646092 825703040 /nfs/dbraw/zinc/70/30/40/825703040.db2.gz WKGWNFWTVMLSBR-NEPJUHHUSA-N 3 0 268.430 -0.529 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CCC[C@]13CC[NH2+]C3)CCN2 ZINC001246651692 825702992 /nfs/dbraw/zinc/70/29/92/825702992.db2.gz YJVJGIMBZYJZLT-GXTWGEPZSA-N 3 0 250.390 -0.092 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])CN1 ZINC001246658570 825703242 /nfs/dbraw/zinc/70/32/42/825703242.db2.gz KZSSXSAOIDUTRH-OSUNSFLBSA-N 2 0 253.346 -0.299 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CC[C@@H]3[NH2+]CC[C@@H]3C1)CCN2 ZINC001246661494 825704028 /nfs/dbraw/zinc/70/40/28/825704028.db2.gz RHEOVAXQFVXSQG-AGIUHOORSA-N 2 0 250.390 -0.236 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCC[NH2+]C1 ZINC001246675773 825704986 /nfs/dbraw/zinc/70/49/86/825704986.db2.gz ZQSZTXDHXHPCTI-ZDEQEGDKSA-N 2 0 267.373 -0.036 20 0 CBADRP O=C1COCC2(CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)N1 ZINC001246667567 825705215 /nfs/dbraw/zinc/70/52/15/825705215.db2.gz LENOTJRUTGUQHI-LBPRGKRZSA-N 2 0 294.399 -0.939 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)CN1 ZINC001246680250 825706169 /nfs/dbraw/zinc/70/61/69/825706169.db2.gz SQLGFHXCZYPIIZ-USWWRNFRSA-N 2 0 253.346 -0.569 20 0 CBADRP CN1CCN(C)C2(CC[NH+](C3CC[NH2+]CC3)CC2)C1=O ZINC001246720292 825707485 /nfs/dbraw/zinc/70/74/85/825707485.db2.gz NFRAQTBPEKMTAT-UHFFFAOYSA-N 2 0 280.416 -0.023 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CN1 ZINC001246701837 825707889 /nfs/dbraw/zinc/70/78/89/825707889.db2.gz NMVUQWZSKGIRKE-VOAKCMCISA-N 2 0 267.373 -0.227 20 0 CBADRP CNC(=O)CN1CCO[C@H]2C[N@@H+]([C@@H]3CC[NH2+][C@H](C)C3)C[C@H]21 ZINC001246730392 825708275 /nfs/dbraw/zinc/70/82/75/825708275.db2.gz KGBNYCFEIWTTDZ-SYQHCUMBSA-N 2 0 296.415 -0.742 20 0 CBADRP CC(=O)N1CCC2(C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246763709 825708576 /nfs/dbraw/zinc/70/85/76/825708576.db2.gz CJXJWXHYKVMEPX-ZDUSSCGKSA-N 2 0 278.400 -0.365 20 0 CBADRP CN1C[C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1=O ZINC001246760385 825709436 /nfs/dbraw/zinc/70/94/36/825709436.db2.gz QEGMDJOZZGUPBG-WOPDTQHZSA-N 2 0 264.373 -0.900 20 0 CBADRP CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246759630 825709446 /nfs/dbraw/zinc/70/94/46/825709446.db2.gz SJMBBGWLVAXEET-MQYQWHSLSA-N 2 0 292.427 -0.217 20 0 CBADRP COCCN1C[C@@H]2C[N@@H+]([C@H]3CCC[NH2+]C3)C[C@@H]2C1=O ZINC001246755299 825709506 /nfs/dbraw/zinc/70/95/06/825709506.db2.gz KKJBETVKCBEXJJ-AGIUHOORSA-N 2 0 267.373 -0.225 20 0 CBADRP C1C([NH+]2CCCC2)CN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246802935 825712823 /nfs/dbraw/zinc/71/28/23/825712823.db2.gz YLEKKMHXKOSVIR-GFCCVEGCSA-N 2 0 250.390 -0.140 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)CN1 ZINC001246807305 825713402 /nfs/dbraw/zinc/71/34/02/825713402.db2.gz JFMVLJAXZGELKT-ROHXPCBUSA-N 2 0 253.346 -0.156 20 0 CBADRP COc1ncnc2c1CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246798491 825713530 /nfs/dbraw/zinc/71/35/30/825713530.db2.gz UMCYFMZJRVYPLN-LLVKDONJSA-N 2 0 289.383 -0.063 20 0 CBADRP O=C1C[C@H]2CC(N3CC[NH2+]CCNCC[NH2+]CC3)C[C@@H]2C1 ZINC001246818048 825714507 /nfs/dbraw/zinc/71/45/07/825714507.db2.gz CITYEOUJZLIVTN-ZIAGYGMSSA-N 2 0 294.443 -0.172 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH+]2CC3(CC([NH3+])C3)C2)CN1 ZINC001246811078 825714592 /nfs/dbraw/zinc/71/45/92/825714592.db2.gz RLOLXTDDLVCHMJ-MNOVXSKESA-N 2 0 253.346 -0.297 20 0 CBADRP COC(=O)[C@@H]1CC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246818827 825716083 /nfs/dbraw/zinc/71/60/83/825716083.db2.gz DXRJKXIXUXXDRT-KGLIPLIRSA-N 2 0 298.431 -0.588 20 0 CBADRP CC1(C)C[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)CC[NH2+]1 ZINC001246819661 825716139 /nfs/dbraw/zinc/71/61/39/825716139.db2.gz HGWDNUHUXQXXCG-CQSZACIVSA-N 3 0 283.464 -0.399 20 0 CBADRP C1COC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246821315 825716395 /nfs/dbraw/zinc/71/63/95/825716395.db2.gz NTAVTFIGXYHJRT-ZDUSSCGKSA-N 2 0 256.394 -0.750 20 0 CBADRP C1CC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)C[NH2+]C1 ZINC001246820327 825716622 /nfs/dbraw/zinc/71/66/22/825716622.db2.gz JUCSIJSGEBOJAS-AWEZNQCLSA-N 3 0 269.437 -0.787 20 0 CBADRP COC(=O)[C@@H]1C[C@H](N2CCN(CCC[NH+](C)C)CC2)CN1 ZINC001246823407 825717209 /nfs/dbraw/zinc/71/72/09/825717209.db2.gz GGKYQVSHAGKIMY-KBPBESRZSA-N 2 0 298.431 -0.541 20 0 CBADRP F[C@H]1CCN(C2C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246825088 825718024 /nfs/dbraw/zinc/71/80/24/825718024.db2.gz UBOLOGSZBWKGOY-NWDGAFQWSA-N 2 0 268.380 -0.192 20 0 CBADRP COC(=O)C1C[C@@H]2CC(N(CC[NH3+])CC[NH3+])C[C@H](C1)[NH2+]2 ZINC001246830612 825718855 /nfs/dbraw/zinc/71/88/55/825718855.db2.gz JSXIADVFWIKBBQ-UNTZMWQOSA-N 3 0 284.404 -0.722 20 0 CBADRP FCCN1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246828823 825718938 /nfs/dbraw/zinc/71/89/38/825718938.db2.gz DJFCPAZRJVCENI-GFCCVEGCSA-N 2 0 256.369 -0.333 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCCC3(C1)OCCO3)CCN2 ZINC001246838731 825719230 /nfs/dbraw/zinc/71/92/30/825719230.db2.gz FJQOVCYWDVLMMA-GFCCVEGCSA-N 2 0 267.373 -0.081 20 0 CBADRP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N(CC[NH3+])CC[NH3+])CN1 ZINC001246833136 825719335 /nfs/dbraw/zinc/71/93/35/825719335.db2.gz RVCFXSQXBNDHDV-MNOVXSKESA-N 2 0 272.393 -0.722 20 0 CBADRP CC[N@H+](CCN1CCOCC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246848270 825719871 /nfs/dbraw/zinc/71/98/71/825719871.db2.gz NNRNBOVCXHJBHM-AWEZNQCLSA-N 2 0 282.432 -0.266 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CC[NH+]3CCC1CC3)CCN2 ZINC001246847985 825720002 /nfs/dbraw/zinc/72/00/02/825720002.db2.gz UHFZGINPGDAHHQ-CYBMUJFWSA-N 2 0 250.390 -0.140 20 0 CBADRP CCN([C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@H]1CC[NH2+]C1 ZINC001246850848 825720170 /nfs/dbraw/zinc/72/01/70/825720170.db2.gz LJYOICDRLCIURJ-XQQFMLRXSA-N 2 0 298.456 -0.066 20 0 CBADRP C[NH+](C)CCN1CCN(C2CC[NH2+]CC2)CCC1=O ZINC001246839901 825721228 /nfs/dbraw/zinc/72/12/28/825721228.db2.gz KSCRQERZUWKRLZ-UHFFFAOYSA-N 2 0 268.405 -0.166 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246864248 825723844 /nfs/dbraw/zinc/72/38/44/825723844.db2.gz SFQUJHFLBCOPSB-CHWSQXEVSA-N 2 0 268.405 -0.657 20 0 CBADRP O=C1NC2(CO1)CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246874748 825726972 /nfs/dbraw/zinc/72/69/72/825726972.db2.gz IYEPQBUMHVYOJG-LLVKDONJSA-N 2 0 280.372 -0.345 20 0 CBADRP [NH3+]C1CN([C@H]2CCC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246871649 825727192 /nfs/dbraw/zinc/72/71/92/825727192.db2.gz NNLMJYIIRMGKLO-KGLIPLIRSA-N 3 0 279.432 -0.812 20 0 CBADRP CC(C)N1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246873014 825727329 /nfs/dbraw/zinc/72/73/29/825727329.db2.gz YJJOXKDNFHTDNM-GFCCVEGCSA-N 2 0 266.389 -0.367 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246901829 825728727 /nfs/dbraw/zinc/72/87/27/825728727.db2.gz AEPRFLCGPOWKHS-ARHMULMVSA-N 2 0 251.330 -0.380 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246901867 825728798 /nfs/dbraw/zinc/72/87/98/825728798.db2.gz AORIAVVKRLLGQX-VWYCJHECSA-N 2 0 253.346 -0.297 20 0 CBADRP CCN1C[C@@H](C)[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246902671 825728941 /nfs/dbraw/zinc/72/89/41/825728941.db2.gz LSUYBEVZVGCTLO-VXGBXAGGSA-N 2 0 266.389 -0.367 20 0 CBADRP COC(=O)[C@@H]1C[C@H](N(C)C2(C)CC[NH2+]CC2)CN1 ZINC001246912727 825730227 /nfs/dbraw/zinc/73/02/27/825730227.db2.gz VILZKZNAPDYQRW-QWRGUYRKSA-N 2 0 255.362 -0.036 20 0 CBADRP CS(=O)(=O)N([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001246914144 825730450 /nfs/dbraw/zinc/73/04/50/825730450.db2.gz SNTUUBNSQMDDDI-GHMZBOCLSA-N 2 0 261.391 -0.248 20 0 CBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246922457 825731040 /nfs/dbraw/zinc/73/10/40/825731040.db2.gz VXMUQJXKXVNGJZ-BTTYYORXSA-N 3 0 297.447 -0.615 20 0 CBADRP COC(=O)C1C[C@@H]2CC(N3C[C@H]4C[NH2+]C[C@@H]43)C[C@H](C1)[NH2+]2 ZINC001246922359 825731245 /nfs/dbraw/zinc/73/12/45/825731245.db2.gz VWRSTBCXNITDEF-UQZYOTNSSA-N 2 0 279.384 -0.038 20 0 CBADRP O=C([C@@H]1C[C@H](N2C[C@@H]3C[NH2+]C[C@@H]32)C[NH2+]1)N1CCSC1 ZINC001246923396 825731821 /nfs/dbraw/zinc/73/18/21/825731821.db2.gz YJQRCHPZPUTLCI-BJDJZHNGSA-N 2 0 282.413 -0.847 20 0 CBADRP CC[NH+]1CCC(N2C[C@@H](C(=O)OC)[C@H]([NH3+])C2)CC1 ZINC001246929960 825732648 /nfs/dbraw/zinc/73/26/48/825732648.db2.gz IXGQMDGOXRIPJE-VXGBXAGGSA-N 2 0 255.362 -0.097 20 0 CBADRP COC(=O)[C@H]1C[C@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CN1 ZINC001246929854 825733087 /nfs/dbraw/zinc/73/30/87/825733087.db2.gz HLGJXIFZKAZSMQ-QNWHQSFQSA-N 2 0 267.373 -0.179 20 0 CBADRP C[C@H]1CC(N(CCC[NH3+])CC(=O)NCCC[NH3+])C[C@H](C)[NH2+]1 ZINC001246925091 825733235 /nfs/dbraw/zinc/73/32/35/825733235.db2.gz LDXWTQXOEMMENN-STQMWFEESA-N 3 0 299.463 -0.369 20 0 CBADRP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C[C@H]1N ZINC001246929429 825733299 /nfs/dbraw/zinc/73/32/99/825733299.db2.gz CYDLIQQXFJBKEP-GMTAPVOTSA-N 2 0 253.346 -0.439 20 0 CBADRP COC(=O)[C@@H]1CN(C2C[C@H](C)[NH2+][C@@H](C)C2)C[C@@H]1[NH3+] ZINC001246932524 825733838 /nfs/dbraw/zinc/73/38/38/825733838.db2.gz PWTIIMOGHLAZQC-XPXLGCRWSA-N 2 0 255.362 -0.053 20 0 CBADRP COC(=O)[C@@H]1C[N@@H+](C2CCC3(C[NH2+]C3)CC2)C[C@H]1N ZINC001246934687 825733994 /nfs/dbraw/zinc/73/39/94/825733994.db2.gz VWGQTKMXWMUYFJ-VXGBXAGGSA-N 2 0 267.373 -0.049 20 0 CBADRP COC(=O)[C@H]1C[N@@H+](C2CCC3(C[NH2+]C3)CC2)C[C@H]1N ZINC001246934683 825734271 /nfs/dbraw/zinc/73/42/71/825734271.db2.gz VWGQTKMXWMUYFJ-NWDGAFQWSA-N 2 0 267.373 -0.049 20 0 CBADRP COC(=O)[C@@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1[NH3+] ZINC001246931820 825734562 /nfs/dbraw/zinc/73/45/62/825734562.db2.gz OGVXKPZKBPNTBT-YBXAARCKSA-N 2 0 253.346 -0.299 20 0 CBADRP CC[C@H]([NH3+])CN(C)[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246972198 825736857 /nfs/dbraw/zinc/73/68/57/825736857.db2.gz AYONNICHXJLIIR-SRVKXCTJSA-N 2 0 286.445 -0.081 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CN1 ZINC001246972387 825737017 /nfs/dbraw/zinc/73/70/17/825737017.db2.gz DQBYMEHLUWVCRZ-WJTVCTBASA-N 2 0 267.373 -0.051 20 0 CBADRP COC(=O)[C@@H]1C[C@H](N2CC[C@@H]([NH+]3CCC([NH3+])CC3)C2)CN1 ZINC001246977767 825737269 /nfs/dbraw/zinc/73/72/69/825737269.db2.gz QUXSWNLSRQEWPJ-RDBSUJKOSA-N 2 0 296.415 -0.613 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](N2CC[C@@H]([NH+]3CCC([NH3+])CC3)C2)CN1 ZINC001246977763 825737396 /nfs/dbraw/zinc/73/73/96/825737396.db2.gz QUXSWNLSRQEWPJ-MCIONIFRSA-N 2 0 296.415 -0.613 20 0 CBADRP CC(C)C(=O)N1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246961725 825737859 /nfs/dbraw/zinc/73/78/59/825737859.db2.gz PLHSLZQBHPFNIA-CYBMUJFWSA-N 2 0 280.416 -0.119 20 0 CBADRP C[NH+](C)CCN([C@@H]1CNC(=O)C1)[C@@H]1CCC[NH2+]C1 ZINC001246987569 825739367 /nfs/dbraw/zinc/73/93/67/825739367.db2.gz MPPSWQKUURQOOC-NEPJUHHUSA-N 2 0 254.378 -0.510 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN([C@H]1CCC[NH2+]C1)CC2 ZINC001246984794 825739316 /nfs/dbraw/zinc/73/93/16/825739316.db2.gz GQTOXZPSMQKMBB-SCRDCRAPSA-N 2 0 267.373 -0.035 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@@]3(C1)CNCCO3)CCN2 ZINC001246990646 825739340 /nfs/dbraw/zinc/73/93/40/825739340.db2.gz XAYUKFGOTBRJQB-JSGCOSHPSA-N 2 0 266.389 -0.855 20 0 CBADRP COCCOC1C[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001247004203 825741843 /nfs/dbraw/zinc/74/18/43/825741843.db2.gz ZUEVMLJJGQDQAM-LLVKDONJSA-N 2 0 255.362 -0.572 20 0 CBADRP CCOC[C@@H](O)C[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001252043773 825814082 /nfs/dbraw/zinc/81/40/82/825814082.db2.gz JRGFUODRZPUKBI-AWEZNQCLSA-N 2 0 273.421 -0.001 20 0 CBADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](O)CO ZINC001252058404 825819569 /nfs/dbraw/zinc/81/95/69/825819569.db2.gz BRAYSBRHIXWFKC-RWMBFGLXSA-N 2 0 257.378 -0.950 20 0 CBADRP COCC[N@@H+]1CCO[C@@H]2C[NH+](C[C@H](O)CO)CC[C@@H]2C1 ZINC001252059095 825820735 /nfs/dbraw/zinc/82/07/35/825820735.db2.gz QGRRHJUNPUYELV-HZSPNIEDSA-N 2 0 288.388 -0.991 20 0 CBADRP C[NH+]1CCN(c2cccc(C[NH2+]C[C@H](O)CO)c2)CC1 ZINC001252068087 825827164 /nfs/dbraw/zinc/82/71/64/825827164.db2.gz AYZWLZGVCUAATR-HNNXBMFYSA-N 2 0 279.384 -0.119 20 0 CBADRP OC[C@@H](O)C[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001252074737 825831056 /nfs/dbraw/zinc/83/10/56/825831056.db2.gz MZJDUQKEBQVWNK-AVGNSLFASA-N 2 0 258.362 -0.427 20 0 CBADRP CC(C)(O)C[NH2+]CCC(=O)NCCc1c[nH]cn1 ZINC001252368943 825835396 /nfs/dbraw/zinc/83/53/96/825835396.db2.gz QXUUFLVPVWQNHI-UHFFFAOYSA-N 2 0 254.334 -0.181 20 0 CBADRP COC(=O)[C@@H](O)C[N@H+]1CCc2nc(C)[nH]c2CC1 ZINC001252415377 825843112 /nfs/dbraw/zinc/84/31/12/825843112.db2.gz MVYDDZYOGLGTLI-NSHDSACASA-N 2 0 253.302 -0.347 20 0 CBADRP CC(C)OC[C@@H](O)C[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001252692848 825883875 /nfs/dbraw/zinc/88/38/75/825883875.db2.gz HVYCHILKWMCVLM-AWEZNQCLSA-N 2 0 273.421 -0.001 20 0 CBADRP C[NH+](C)CCN1CC[NH+](CC2(O)CCOCC2)CC1 ZINC001252955399 825895768 /nfs/dbraw/zinc/89/57/68/825895768.db2.gz QKIXPUSLLBOXHV-UHFFFAOYSA-N 2 0 271.405 -0.293 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@]2(CCNC2=O)C1 ZINC001253182773 825902363 /nfs/dbraw/zinc/90/23/63/825902363.db2.gz TUZRQLSPHKXOCE-GXTWGEPZSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+]CC1(C(N)=O)CCOCC1 ZINC001253203458 825903680 /nfs/dbraw/zinc/90/36/80/825903680.db2.gz SVWYGBWEVDDWDF-GFCCVEGCSA-N 2 0 287.404 -0.439 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[NH2+]CCCc1c[nH][nH]c1=O ZINC001253202918 825904132 /nfs/dbraw/zinc/90/41/32/825904132.db2.gz CDWULLHGTJGJKJ-NEPJUHHUSA-N 2 0 270.377 -0.209 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@@H]1CCC(=O)NC1 ZINC001253206714 825905308 /nfs/dbraw/zinc/90/53/08/825905308.db2.gz RGQKSGMWGCNOPS-NWDGAFQWSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1CCCC(=O)NC1 ZINC001253208233 825905390 /nfs/dbraw/zinc/90/53/90/825905390.db2.gz OTHPDRVFVAQVOB-NWDGAFQWSA-N 2 0 257.378 -0.053 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@@H]1CCC(=O)N1C ZINC001253209127 825906045 /nfs/dbraw/zinc/90/60/45/825906045.db2.gz XXSGFEQWKFMJQT-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[NH+](CC)C[C@H](O)CNCCC[N@H+](C)CCO ZINC001253217192 825906758 /nfs/dbraw/zinc/90/67/58/825906758.db2.gz UWDLPBVUUUOYJD-CYBMUJFWSA-N 2 0 261.410 -0.407 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CNC1(CO)CC[NH+](C)CC1 ZINC001253216019 825907110 /nfs/dbraw/zinc/90/71/10/825907110.db2.gz FSYYOWWVWIEHGJ-ZDUSSCGKSA-N 2 0 273.421 -0.265 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)CN1CC[NH+](CCCO)CC1 ZINC001253389612 825911404 /nfs/dbraw/zinc/91/14/04/825911404.db2.gz FYYPMRQAJQFYJD-CYBMUJFWSA-N 2 0 273.421 -0.265 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C[C@H]1CCNC(=O)C1 ZINC001253384952 825911452 /nfs/dbraw/zinc/91/14/52/825911452.db2.gz NNUUGGAUSVOMLM-QWRGUYRKSA-N 2 0 257.378 -0.149 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1CC(CO)(CO)C1 ZINC001253405292 825913693 /nfs/dbraw/zinc/91/36/93/825913693.db2.gz VFSSIWGBVAVGJY-NSHDSACASA-N 2 0 260.378 -0.542 20 0 CBADRP [NH3+]CCC[NH2+]CCCCn1cc(CN2CCOCC2)nn1 ZINC001254163747 825946528 /nfs/dbraw/zinc/94/65/28/825946528.db2.gz XHRHYRMXNHTYJF-UHFFFAOYSA-N 2 0 296.419 -0.171 20 0 CBADRP COC(=O)Cc1cn(CCCC[NH2+]CCC[NH3+])nn1 ZINC001254163258 825946596 /nfs/dbraw/zinc/94/65/96/825946596.db2.gz PPVSDEKQBKVRCE-UHFFFAOYSA-N 2 0 269.349 -0.288 20 0 CBADRP C[N@@H+]1CCC[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CC1 ZINC001254507752 825965286 /nfs/dbraw/zinc/96/52/86/825965286.db2.gz CWZPSJPGQPSZSI-NSHDSACASA-N 3 0 274.369 -0.391 20 0 CBADRP C[N@@H+]1CCC[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CC1 ZINC001254507751 825965644 /nfs/dbraw/zinc/96/56/44/825965644.db2.gz CWZPSJPGQPSZSI-LLVKDONJSA-N 3 0 274.369 -0.391 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254833291 825969737 /nfs/dbraw/zinc/96/97/37/825969737.db2.gz XITRSAVXXSFDTF-LLVKDONJSA-N 2 0 261.391 -0.309 20 0 CBADRP COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@@H]1CC[N@H+](C)C1 ZINC001255416287 825981341 /nfs/dbraw/zinc/98/13/41/825981341.db2.gz YBAIIDHBTCFHLG-ZJUUUORDSA-N 2 0 271.365 -0.915 20 0 CBADRP CC[NH+](CC)CC[C@H](C)NS(=O)(=O)CC[NH3+] ZINC001255943792 825996376 /nfs/dbraw/zinc/99/63/76/825996376.db2.gz PURMGDHUABLGQI-JTQLQIEISA-N 2 0 251.396 -0.015 20 0 CBADRP CS(=O)(=O)N(C1C[NH2+]C1)C1CC[NH+](C2CC2)CC1 ZINC001256079848 826000393 /nfs/dbraw/zinc/00/03/93/826000393.db2.gz PAGHTTUBJHUGQT-UHFFFAOYSA-N 2 0 273.402 -0.153 20 0 CBADRP C[C@H](CC(=O)N1CCOCC1)[NH2+]CCC[N@H+](C)CCO ZINC001256333111 826012825 /nfs/dbraw/zinc/01/28/25/826012825.db2.gz ALYBUQVATYRGMN-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP NC(=O)[C@H]1C[N@@H+](C2CCC([NH+]3CCOCC3)CC2)CCO1 ZINC001256699472 826030164 /nfs/dbraw/zinc/03/01/64/826030164.db2.gz ZLKPRBTZGUIPNS-JXQTWKCFSA-N 2 0 297.399 -0.184 20 0 CBADRP NC(=O)[C@H](CO)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256850595 826034656 /nfs/dbraw/zinc/03/46/56/826034656.db2.gz DXQZVBZACHTTOQ-LBPRGKRZSA-N 2 0 264.329 -0.514 20 0 CBADRP COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC001257925013 826053098 /nfs/dbraw/zinc/05/30/98/826053098.db2.gz GEEOOPRFEOWGCH-QWRGUYRKSA-N 2 0 294.417 -0.073 20 0 CBADRP COC(=O)CC[C@@H](C)[NH2+]CCN(CC[NH3+])N(O)N=O ZINC001258355127 826063852 /nfs/dbraw/zinc/06/38/52/826063852.db2.gz CWVMSLWXQPYFKT-SECBINFHSA-N 2 0 277.325 -0.534 20 0 CBADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](CC(N)=O)C(N)=O ZINC001258904700 826069032 /nfs/dbraw/zinc/06/90/32/826069032.db2.gz KKHHTRIDEATCCT-MNOVXSKESA-N 2 0 272.393 -0.184 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001261378613 826509085 /nfs/dbraw/zinc/50/90/85/826509085.db2.gz FDIAPIYXEWPEHH-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1cn[nH]c1 ZINC001261436331 826512267 /nfs/dbraw/zinc/51/22/67/826512267.db2.gz YHXAQZMTSWIPET-DGCLKSJQSA-N 2 0 267.377 -0.331 20 0 CBADRP [NH3+]C[C@H]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001261460749 826517004 /nfs/dbraw/zinc/51/70/04/826517004.db2.gz NNUODAVAIDIEBH-GHMZBOCLSA-N 2 0 268.361 -0.948 20 0 CBADRP O=C(COC1CC[NH2+]CC1)NC[C@H]1CCC[NH2+]C1 ZINC001261460821 826517930 /nfs/dbraw/zinc/51/79/30/826517930.db2.gz QFVIWANICJZBIT-NSHDSACASA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCC[C@H]2O)CC1 ZINC001261483471 826522367 /nfs/dbraw/zinc/52/23/67/826522367.db2.gz UFSPIZGVYIAFIB-JHJVBQTASA-N 2 0 257.378 -0.902 20 0 CBADRP [NH3+]CCNC(=O)CN(CC[NH3+])Cc1ccccc1 ZINC001261489773 826523216 /nfs/dbraw/zinc/52/32/16/826523216.db2.gz FEFZZJSGPUNEMY-UHFFFAOYSA-N 2 0 250.346 -0.478 20 0 CBADRP C[NH2+]CCNC(=O)CN(CC[NH3+])Cc1ccccc1 ZINC001261488862 826523652 /nfs/dbraw/zinc/52/36/52/826523652.db2.gz BOQYVDMCBWRSMI-UHFFFAOYSA-N 2 0 264.373 -0.217 20 0 CBADRP O=C(CN1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CC[NH2+]CC1 ZINC001261492784 826524526 /nfs/dbraw/zinc/52/45/26/826524526.db2.gz UTWXRQQKAGKSKU-RYUDHWBXSA-N 2 0 252.362 -0.898 20 0 CBADRP C[NH2+]CC(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001261493778 826525300 /nfs/dbraw/zinc/52/53/00/826525300.db2.gz QMFWNIXRGFDUNX-NWDGAFQWSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(C(=O)c1cn(CCCC[NH3+])nn1)C1(C[NH3+])CCC1 ZINC001261495235 826525821 /nfs/dbraw/zinc/52/58/21/826525821.db2.gz WSYMDWDNWOUHES-UHFFFAOYSA-N 2 0 280.376 -0.030 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001261502398 826528076 /nfs/dbraw/zinc/52/80/76/826528076.db2.gz LAZGEKPGHYUART-ITGUQSILSA-N 2 0 266.389 -0.795 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001261515619 826531010 /nfs/dbraw/zinc/53/10/10/826531010.db2.gz NTTPXWFWIAVBON-SRVKXCTJSA-N 2 0 255.362 -0.049 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001261552790 826539122 /nfs/dbraw/zinc/53/91/22/826539122.db2.gz DZQOKVYKMLIXLW-AEJSXWLSSA-N 2 0 257.334 -0.667 20 0 CBADRP OC[C@H]1[C@@H]2C[NH+](C/C=C\C[N@H+]3C[C@H]4[C@H](CO)[C@H]4C3)C[C@H]12 ZINC001261637271 826551270 /nfs/dbraw/zinc/55/12/70/826551270.db2.gz MUBJCWIWJFJXID-XMTUVDPLSA-N 2 0 278.396 -0.117 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC001261636122 826551533 /nfs/dbraw/zinc/55/15/33/826551533.db2.gz ZJCLHPGPVCKUEK-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001261643572 826554474 /nfs/dbraw/zinc/55/44/74/826554474.db2.gz XVVGVBXBDKJRJE-SECBINFHSA-N 2 0 266.349 -0.330 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H](C)C[NH2+]C)CC1 ZINC001261643872 826554709 /nfs/dbraw/zinc/55/47/09/826554709.db2.gz IQCFCTDDEUEDRI-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](C[NH3+])NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001261643765 826554716 /nfs/dbraw/zinc/55/47/16/826554716.db2.gz FNJKROJEEYNJME-NXEZZACHSA-N 2 0 266.349 -0.330 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001261818843 826587163 /nfs/dbraw/zinc/58/71/63/826587163.db2.gz JIWMHROVJXMZJT-SECBINFHSA-N 2 0 256.350 -0.998 20 0 CBADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1COCCN1C ZINC001261836497 826594678 /nfs/dbraw/zinc/59/46/78/826594678.db2.gz DQIPFXJZPORULZ-QNWHQSFQSA-N 2 0 257.378 -0.341 20 0 CBADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H]1COCCN1C ZINC001261836499 826594692 /nfs/dbraw/zinc/59/46/92/826594692.db2.gz DQIPFXJZPORULZ-ZDEQEGDKSA-N 2 0 257.378 -0.341 20 0 CBADRP C([NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1COCCN1 ZINC001261836720 826595009 /nfs/dbraw/zinc/59/50/09/826595009.db2.gz JVAHOQCDSYBCCZ-ZOBORPQBSA-N 2 0 269.389 -0.279 20 0 CBADRP C([NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1COCCN1 ZINC001261836718 826595233 /nfs/dbraw/zinc/59/52/33/826595233.db2.gz JVAHOQCDSYBCCZ-XDQVBPFNSA-N 2 0 269.389 -0.279 20 0 CBADRP [NH3+]Cc1cnn(Cc2cn([C@H]3CCC[NH2+]C3)nn2)c1 ZINC001261846461 826597036 /nfs/dbraw/zinc/59/70/36/826597036.db2.gz LMIFSWHHBMVANI-LBPRGKRZSA-N 2 0 261.333 -0.094 20 0 CBADRP [NH3+]Cc1cnn(Cc2cn([C@@H]3CCC[NH2+]C3)nn2)c1 ZINC001261846460 826597836 /nfs/dbraw/zinc/59/78/36/826597836.db2.gz LMIFSWHHBMVANI-GFCCVEGCSA-N 2 0 261.333 -0.094 20 0 CBADRP O=C([C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001261892527 826605007 /nfs/dbraw/zinc/60/50/07/826605007.db2.gz OGDWYAMDGWHRJZ-QNWHQSFQSA-N 2 0 264.373 -0.900 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC[C@@H](O)C(F)F)CC1 ZINC001261891928 826605044 /nfs/dbraw/zinc/60/50/44/826605044.db2.gz UJPTYSMRAGJZQC-GHMZBOCLSA-N 2 0 281.347 -0.800 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC001262008222 826618275 /nfs/dbraw/zinc/61/82/75/826618275.db2.gz FLYAJHBVIULKEL-NWDGAFQWSA-N 2 0 271.361 -0.670 20 0 CBADRP CC[N@@H+]1CCC[C@@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC001262007725 826618664 /nfs/dbraw/zinc/61/86/64/826618664.db2.gz OSOUBKZAMJOXIF-ZDUSSCGKSA-N 2 0 268.405 -0.260 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001262033898 826626232 /nfs/dbraw/zinc/62/62/32/826626232.db2.gz MAPFWYRPOVVDGF-NSHDSACASA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC001262034648 826626629 /nfs/dbraw/zinc/62/66/29/826626629.db2.gz KJVYIAFDEVPPMZ-SRVKXCTJSA-N 2 0 284.404 -0.362 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N(CC[NH3+])CC(F)(F)F ZINC001262038921 826627484 /nfs/dbraw/zinc/62/74/84/826627484.db2.gz CRSMSXCJLUIMPT-ZETCQYMHSA-N 2 0 257.256 -0.300 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001262066820 826629801 /nfs/dbraw/zinc/62/98/01/826629801.db2.gz LMIVIPXLXWZHFA-JHJVBQTASA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC001262071058 826631751 /nfs/dbraw/zinc/63/17/51/826631751.db2.gz QHYGZRIKPWZKEK-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H](NC(C[NH3+])C[NH3+])C(=O)NCc1cccs1 ZINC001262194910 826657081 /nfs/dbraw/zinc/65/70/81/826657081.db2.gz IFTPIJOKJNOKMJ-MRVPVSSYSA-N 2 0 256.375 -0.372 20 0 CBADRP NS(=O)(=O)C[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC001262195000 826657255 /nfs/dbraw/zinc/65/72/55/826657255.db2.gz KUEFJQOLYPJUBE-WDEREUQCSA-N 2 0 261.391 -0.404 20 0 CBADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(C(=O)NCCCO)CC2)C1 ZINC001262487021 826693477 /nfs/dbraw/zinc/69/34/77/826693477.db2.gz HZGVBVJBNAOYIX-BJHJDKERSA-N 2 0 269.389 -0.066 20 0 CBADRP CN1CC[C@H]1CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001262499477 826696099 /nfs/dbraw/zinc/69/60/99/826696099.db2.gz LXTCQOMLDJKTKG-QWHCGFSZSA-N 2 0 294.399 -0.497 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC001262542362 826702912 /nfs/dbraw/zinc/70/29/12/826702912.db2.gz YNRZGXHYROGICC-QNWHQSFQSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+]1CCN(CC[NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC001262558579 826708875 /nfs/dbraw/zinc/70/88/75/826708875.db2.gz JXKLBJRXBSWBBR-GJZGRUSLSA-N 2 0 285.432 -0.265 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)N2CCC[NH2+]CC2)CCOCC1 ZINC001262554265 826709049 /nfs/dbraw/zinc/70/90/49/826709049.db2.gz YGCSVDURNWUSMB-LLVKDONJSA-N 2 0 255.362 -0.048 20 0 CBADRP CC1CC[NH+](CCNC(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001262561620 826709396 /nfs/dbraw/zinc/70/93/96/826709396.db2.gz BVFXXWQDZIUNOW-UHFFFAOYSA-N 2 0 297.447 -0.077 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CO1 ZINC001262566963 826710300 /nfs/dbraw/zinc/71/03/00/826710300.db2.gz FVECNJQWWKNRNC-JHJVBQTASA-N 2 0 257.378 -0.638 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]CCS(C)(=O)=O ZINC001262570232 826711362 /nfs/dbraw/zinc/71/13/62/826711362.db2.gz QTQWXVYCUXFPHW-NSHDSACASA-N 2 0 266.407 -0.023 20 0 CBADRP C[NH2+]CCCNC(=O)NCCN1CCC([NH3+])CC1 ZINC001262583883 826712470 /nfs/dbraw/zinc/71/24/70/826712470.db2.gz LCMGTHLTMQOTCQ-UHFFFAOYSA-N 3 0 257.382 -0.682 20 0 CBADRP CC[NH2+]CCCNC(=O)NCCN1CCC([NH3+])CC1 ZINC001262584241 826712673 /nfs/dbraw/zinc/71/26/73/826712673.db2.gz WKRLIJMTUVBRFH-UHFFFAOYSA-N 3 0 271.409 -0.292 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001262586237 826713974 /nfs/dbraw/zinc/71/39/74/826713974.db2.gz YGOFTVOZTKKTBS-MNOVXSKESA-N 2 0 256.350 -0.632 20 0 CBADRP [NH3+][C@@H](CNC(=O)NCCN1CCC([NH3+])CC1)C1CC1 ZINC001262584939 826714012 /nfs/dbraw/zinc/71/40/12/826714012.db2.gz OLBWARPZNMFSRS-LBPRGKRZSA-N 2 0 269.393 -0.554 20 0 CBADRP CN(C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1(C[NH3+])CCOCC1 ZINC001262586700 826714101 /nfs/dbraw/zinc/71/41/01/826714101.db2.gz JZNYACIRENCZBC-URLYPYJESA-N 2 0 268.361 -0.647 20 0 CBADRP C[NH2+]CCNC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001262585069 826714151 /nfs/dbraw/zinc/71/41/51/826714151.db2.gz SBJQTAINIYPQCS-SNVBAGLBSA-N 2 0 284.360 -0.810 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001262589031 826714617 /nfs/dbraw/zinc/71/46/17/826714617.db2.gz WGLIMOBINRRPAM-NEPJUHHUSA-N 2 0 272.393 -0.151 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001262600172 826716838 /nfs/dbraw/zinc/71/68/38/826716838.db2.gz UGRUDOAKQUUSCV-GRYCIOLGSA-N 2 0 270.377 -0.243 20 0 CBADRP CN1CCN(c2nccnc2C[NH3+])CC[N@H+](C)CC1 ZINC001262707991 826725280 /nfs/dbraw/zinc/72/52/80/826725280.db2.gz MXJVFGJCIKBVGU-UHFFFAOYSA-N 2 0 264.377 -0.381 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001263067470 826731217 /nfs/dbraw/zinc/73/12/17/826731217.db2.gz NPESJJFJTNYTEY-NSHDSACASA-N 2 0 271.361 -0.893 20 0 CBADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001263067042 826732273 /nfs/dbraw/zinc/73/22/73/826732273.db2.gz BYQVBXLNHLGSOO-MNOVXSKESA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@]1(C(=O)NCC[NH+]2CCCCC2)C[C@@H](O)C[NH2+]1 ZINC001263094205 826735165 /nfs/dbraw/zinc/73/51/65/826735165.db2.gz ZEYMWCFMTLWLFF-YPMHNXCESA-N 2 0 255.362 -0.299 20 0 CBADRP C[C@@]1(C(=O)NCC[NH+]2CCCCC2)C[C@H](O)C[NH2+]1 ZINC001263094202 826735525 /nfs/dbraw/zinc/73/55/25/826735525.db2.gz ZEYMWCFMTLWLFF-AAEUAGOBSA-N 2 0 255.362 -0.299 20 0 CBADRP C[NH+](C)CCCNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001263092188 826735844 /nfs/dbraw/zinc/73/58/44/826735844.db2.gz JXOHNKKWAAIJQS-ZDUSSCGKSA-N 2 0 268.361 -0.047 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC[N@@H+]1C ZINC001263100186 826736779 /nfs/dbraw/zinc/73/67/79/826736779.db2.gz HHTLNVCHKPJTJP-PRULPYPASA-N 2 0 255.362 -0.302 20 0 CBADRP C[C@H](CNC(=O)c1ccn(CCC[NH3+])n1)[NH+](C)C ZINC001263096852 826736808 /nfs/dbraw/zinc/73/68/08/826736808.db2.gz DWGVETOCLZHNPC-SNVBAGLBSA-N 2 0 253.350 -0.088 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]([NH3+])C(C)(C)O)C1 ZINC001263095725 826737297 /nfs/dbraw/zinc/73/72/97/826737297.db2.gz UXULYUMXEIGVEQ-GHMZBOCLSA-N 2 0 257.378 -0.067 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001263103254 826737772 /nfs/dbraw/zinc/73/77/72/826737772.db2.gz UELMWRLHENTIAG-ZFWWWQNUSA-N 2 0 298.431 -0.757 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]([NH3+])C(C)(C)O ZINC001263102644 826737896 /nfs/dbraw/zinc/73/78/96/826737896.db2.gz ATIAIFXDXLIASQ-JMJZKYOTSA-N 2 0 255.362 -0.317 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC001263104253 826738479 /nfs/dbraw/zinc/73/84/79/826738479.db2.gz ATEPZSUZYAOWIH-RDBSUJKOSA-N 2 0 299.415 -0.114 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC1(C)CC[NH2+]CC1 ZINC001263106891 826739141 /nfs/dbraw/zinc/73/91/41/826739141.db2.gz IJWRROHQGDWDMJ-SECBINFHSA-N 2 0 257.334 -0.475 20 0 CBADRP O=C(C[NH+]1CCC(CO)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001263107545 826739286 /nfs/dbraw/zinc/73/92/86/826739286.db2.gz YNLZFKODTDWARR-BETUJISGSA-N 2 0 267.373 -0.632 20 0 CBADRP C[C@H]([NH3+])CNC(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC001263107168 826739846 /nfs/dbraw/zinc/73/98/46/826739846.db2.gz PKAQHFSIQVOBTM-USZNOCQGSA-N 2 0 255.362 -0.003 20 0 CBADRP O=C(NCC1=CC[NH2+]CC1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001263105526 826739852 /nfs/dbraw/zinc/73/98/52/826739852.db2.gz QQUDPZCKXTZPIW-UHFFFAOYSA-N 2 0 278.356 -0.079 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001263132735 826743134 /nfs/dbraw/zinc/74/31/34/826743134.db2.gz ALORMHUHEJWUJM-NQBHXWOUSA-N 2 0 255.362 -0.123 20 0 CBADRP O=C(NCC[C@@H]1CSCC[NH2+]1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001263134481 826743150 /nfs/dbraw/zinc/74/31/50/826743150.db2.gz VHBYKSKGNWFBCL-ZRUFSTJUSA-N 2 0 255.387 -0.194 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCC1CC[NH2+]CC1 ZINC001263151207 826744256 /nfs/dbraw/zinc/74/42/56/826744256.db2.gz VZYUGSZUTNKETQ-CMPLNLGQSA-N 2 0 257.378 -0.291 20 0 CBADRP CC[C@@]1(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001263156049 826744931 /nfs/dbraw/zinc/74/49/31/826744931.db2.gz LPKUVGFXWUSXHK-ZYHUDNBSSA-N 2 0 253.346 -0.377 20 0 CBADRP CC[C@]1(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001263156047 826745309 /nfs/dbraw/zinc/74/53/09/826745309.db2.gz LPKUVGFXWUSXHK-JQWIXIFHSA-N 2 0 253.346 -0.377 20 0 CBADRP CC[C@@]1(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001263156046 826745432 /nfs/dbraw/zinc/74/54/32/826745432.db2.gz LPKUVGFXWUSXHK-CMPLNLGQSA-N 2 0 253.346 -0.377 20 0 CBADRP [NH3+]CCNCC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC001263167684 826747450 /nfs/dbraw/zinc/74/74/50/826747450.db2.gz RQOAVWOCFWCPMA-UHFFFAOYSA-N 2 0 264.329 -0.345 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)C1([NH2+]C2CC2)CCC1 ZINC001263170418 826748435 /nfs/dbraw/zinc/74/84/35/826748435.db2.gz PPEGHRNJQLQWOX-LLVKDONJSA-N 2 0 255.362 -0.300 20 0 CBADRP COCCN(CC1CC[NH+](C)CC1)C(=O)CNCC[NH3+] ZINC001263171009 826748580 /nfs/dbraw/zinc/74/85/80/826748580.db2.gz DWXVBBFXEYWVMV-UHFFFAOYSA-N 2 0 286.420 -0.649 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)c1cnc(C[NH3+])nc1 ZINC001263188378 826751632 /nfs/dbraw/zinc/75/16/32/826751632.db2.gz ORFQXXCSPATXQR-NXEZZACHSA-N 2 0 263.345 -0.089 20 0 CBADRP O=C(NCCCCCN1CC[NH2+]CC1)[C@H]1CC[NH2+]1 ZINC001263207867 826753771 /nfs/dbraw/zinc/75/37/71/826753771.db2.gz SWFGTHJKJYVADD-GFCCVEGCSA-N 2 0 254.378 -0.460 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001263212441 826753861 /nfs/dbraw/zinc/75/38/61/826753861.db2.gz SMQAKFCFWGWONC-SBFPOUOMSA-N 2 0 253.346 -0.561 20 0 CBADRP O=C(N1CCNCC[NH2+]CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001263211435 826753895 /nfs/dbraw/zinc/75/38/95/826753895.db2.gz PIVGMEZWXMHKAF-LLVKDONJSA-N 2 0 294.321 -0.450 20 0 CBADRP [NH3+][C@H](CC(F)F)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001263212660 826754057 /nfs/dbraw/zinc/75/40/57/826754057.db2.gz ZKOKBVTUIXFTMC-XCBNKYQSSA-N 2 0 251.277 -0.719 20 0 CBADRP C[C@]1(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[NH2+]CCO1 ZINC001263216305 826754739 /nfs/dbraw/zinc/75/47/39/826754739.db2.gz HTSNFNPISIEFIY-DMDPSCGWSA-N 2 0 253.346 -0.567 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001263214730 826755470 /nfs/dbraw/zinc/75/54/70/826755470.db2.gz UZXSRYFAUZPLSP-RYUDHWBXSA-N 2 0 282.388 -0.619 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001263239911 826757035 /nfs/dbraw/zinc/75/70/35/826757035.db2.gz YFIBMWAXNKBBIA-GYSYKLTISA-N 2 0 267.373 -0.273 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001263250720 826758779 /nfs/dbraw/zinc/75/87/79/826758779.db2.gz PCTOYBAGBBVLEO-WOPDTQHZSA-N 2 0 255.362 -0.001 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC001263252941 826759180 /nfs/dbraw/zinc/75/91/80/826759180.db2.gz FPWNURBYUUVILN-NWDGAFQWSA-N 2 0 255.362 -0.049 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC001263261090 826759843 /nfs/dbraw/zinc/75/98/43/826759843.db2.gz UJMLRVIRYVPFAC-IJLUTSLNSA-N 2 0 255.362 -0.321 20 0 CBADRP [NH3+]C[C@@H]1CCCC12CCN(C(=O)C1(O)C[NH2+]C1)CC2 ZINC001263311957 826762297 /nfs/dbraw/zinc/76/22/97/826762297.db2.gz XHMMQKBNBBJTTQ-NSHDSACASA-N 2 0 267.373 -0.312 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC2(CCC[C@@H]2C[NH3+])CC1 ZINC001263311172 826762827 /nfs/dbraw/zinc/76/28/27/826762827.db2.gz CJDNQGNGQCTXIU-GFCCVEGCSA-N 2 0 268.405 -0.098 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001263879840 826787646 /nfs/dbraw/zinc/78/76/46/826787646.db2.gz VPGANHDDZGGMMF-ZDUSSCGKSA-N 2 0 257.378 -0.147 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)CC(=O)N(C)C)CC[N@@H+]1C ZINC001264987631 826831536 /nfs/dbraw/zinc/83/15/36/826831536.db2.gz FMSVBODWOXKYPT-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP CNC(=O)C[N@H+](C)CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001265027135 826835289 /nfs/dbraw/zinc/83/52/89/826835289.db2.gz HBXWEHRHHQVEOH-UHFFFAOYSA-N 2 0 284.404 -0.488 20 0 CBADRP CNC(=O)C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001265156314 826854598 /nfs/dbraw/zinc/85/45/98/826854598.db2.gz VMRLIVUIOJBLOK-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCC[NH+](CC(N)=O)C2CC2)CC[N@@H+]1C ZINC001265162993 826855531 /nfs/dbraw/zinc/85/55/31/826855531.db2.gz UCNGVTAXQNYCSY-DGCLKSJQSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@H+](CCO)C1 ZINC001265223052 826859684 /nfs/dbraw/zinc/85/96/84/826859684.db2.gz PLLJMBVAJBCCKP-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001265318991 826882029 /nfs/dbraw/zinc/88/20/29/826882029.db2.gz GPESSXUWNXXOST-VXGBXAGGSA-N 2 0 257.378 -0.102 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCO)C1)[NH+](C)C ZINC001265544509 826902898 /nfs/dbraw/zinc/90/28/98/826902898.db2.gz KPYCLZFOPBBNGN-GRYCIOLGSA-N 2 0 257.378 -0.054 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccn(C)n1 ZINC001265818909 826924845 /nfs/dbraw/zinc/92/48/45/826924845.db2.gz VBGXMXHFDRURED-NSHDSACASA-N 2 0 267.377 -0.034 20 0 CBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H](C)C(N)=O ZINC001265851623 826929099 /nfs/dbraw/zinc/92/90/99/826929099.db2.gz QCHMKRIXBLNSLG-UWVGGRQHSA-N 2 0 268.361 -0.950 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001265922807 826938831 /nfs/dbraw/zinc/93/88/31/826938831.db2.gz HWFZNPUVIXEUAK-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001265922805 826939028 /nfs/dbraw/zinc/93/90/28/826939028.db2.gz HWFZNPUVIXEUAK-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001266012603 826945932 /nfs/dbraw/zinc/94/59/32/826945932.db2.gz GPWDQJBZWHDWHN-NEPJUHHUSA-N 2 0 257.378 -0.243 20 0 CBADRP CC[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC(N)=O ZINC001266042917 826948328 /nfs/dbraw/zinc/94/83/28/826948328.db2.gz PUIHCEHGDQYIJJ-ZDUSSCGKSA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@H](O)C[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266275169 826969227 /nfs/dbraw/zinc/96/92/27/826969227.db2.gz PIFMHBHKZLBOEH-WCQYABFASA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@H](O)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001266326680 826985108 /nfs/dbraw/zinc/98/51/08/826985108.db2.gz HGJURABSTFNHMI-RYUDHWBXSA-N 2 0 257.378 -0.243 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001266549205 827019057 /nfs/dbraw/zinc/01/90/57/827019057.db2.gz PVMUOHCXUVTMCO-ZDUSSCGKSA-N 2 0 269.389 -0.097 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+](CCCO)C1 ZINC001266549204 827019406 /nfs/dbraw/zinc/01/94/06/827019406.db2.gz PVMUOHCXUVTMCO-CYBMUJFWSA-N 2 0 269.389 -0.097 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1)C(N)=O ZINC001266561741 827022456 /nfs/dbraw/zinc/02/24/56/827022456.db2.gz DQEQQSCRQBZGQL-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP O=C(N[C@H]1C[C@H]([NH2+]CCOCCO)C1)C12CC[NH+](CC1)C2 ZINC001266632643 827036273 /nfs/dbraw/zinc/03/62/73/827036273.db2.gz MJFROPBZRZVHOI-JOCQHMNTSA-N 2 0 297.399 -0.672 20 0 CBADRP CN(CC[NH2+]CCn1cncn1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001266660443 827043337 /nfs/dbraw/zinc/04/33/37/827043337.db2.gz OQKNUQAMKKIQCN-GFCCVEGCSA-N 2 0 280.376 -0.580 20 0 CBADRP CC(C)[C@H](C(=O)N(C)CC[NH2+]CCn1cncn1)[NH+](C)C ZINC001266828253 827072948 /nfs/dbraw/zinc/07/29/48/827072948.db2.gz SDCRKXQRHZBADS-CYBMUJFWSA-N 2 0 296.419 -0.088 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC)[NH+](C)C ZINC001266971444 827100702 /nfs/dbraw/zinc/10/07/02/827100702.db2.gz MLZUZRPZSPGRKI-ZJUUUORDSA-N 2 0 258.366 -0.833 20 0 CBADRP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCCO ZINC001266984510 827102481 /nfs/dbraw/zinc/10/24/81/827102481.db2.gz BYFJRXJGIJRNTL-RYUDHWBXSA-N 2 0 257.378 -0.195 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001267004620 827106911 /nfs/dbraw/zinc/10/69/11/827106911.db2.gz FZWXDHVILDZFBW-JTQLQIEISA-N 2 0 258.366 -0.750 20 0 CBADRP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@H]1CCC(=O)NC1=O ZINC001267144229 827118318 /nfs/dbraw/zinc/11/83/18/827118318.db2.gz VNRROFMTJCQLMM-QWRGUYRKSA-N 2 0 298.387 -0.772 20 0 CBADRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]C[C@H](C)O ZINC001267158538 827118708 /nfs/dbraw/zinc/11/87/08/827118708.db2.gz SBWPKPNOQFKIQB-NEPJUHHUSA-N 2 0 257.378 -0.053 20 0 CBADRP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001267354876 827156515 /nfs/dbraw/zinc/15/65/15/827156515.db2.gz AUPBPBQMJPMRQM-MNOVXSKESA-N 2 0 268.361 -0.983 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC(N)=O ZINC001267372490 827160024 /nfs/dbraw/zinc/16/00/24/827160024.db2.gz RZRNEUDLPVEYPR-LLVKDONJSA-N 2 0 270.377 -0.608 20 0 CBADRP CN(CC[NH2+]CC(N)=O)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001267373211 827161626 /nfs/dbraw/zinc/16/16/26/827161626.db2.gz QDNICJQBFRURST-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267375227 827161887 /nfs/dbraw/zinc/16/18/87/827161887.db2.gz ZXTCUBICCTXGMV-QJPTWQEYSA-N 2 0 257.378 -0.245 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001267383948 827163280 /nfs/dbraw/zinc/16/32/80/827163280.db2.gz FSONCZWUZNQURB-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CNC(=O)C[NH2+]CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001267437806 827171587 /nfs/dbraw/zinc/17/15/87/827171587.db2.gz YKTOTEIDZQQJJV-UHFFFAOYSA-N 2 0 284.404 -0.488 20 0 CBADRP CN(CC[NH2+]CC(=O)NCC1CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267470588 827175114 /nfs/dbraw/zinc/17/51/14/827175114.db2.gz XYYDDVTYUIBWNJ-CYBMUJFWSA-N 2 0 296.415 -0.488 20 0 CBADRP CCN1CCO[C@@H](C(=O)N(C)CC[NH2+]C[C@@H](C)OC)C1 ZINC001267471256 827175256 /nfs/dbraw/zinc/17/52/56/827175256.db2.gz ANUABFXUOOYLOY-CHWSQXEVSA-N 2 0 287.404 -0.210 20 0 CBADRP CCNC(=O)C[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001267468664 827175315 /nfs/dbraw/zinc/17/53/15/827175315.db2.gz ATWDLMCCWXNYBT-UHFFFAOYSA-N 2 0 270.377 -0.734 20 0 CBADRP CCN1CCO[C@H](C(=O)N(C)CC[NH2+]C[C@H](C)O)C1 ZINC001267471976 827175326 /nfs/dbraw/zinc/17/53/26/827175326.db2.gz YPBSWITUVCNANI-RYUDHWBXSA-N 2 0 273.377 -0.864 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CCOCCO)C2)CC1 ZINC001267728913 827207292 /nfs/dbraw/zinc/20/72/92/827207292.db2.gz JVKARPVANHEUKJ-ZDUSSCGKSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CCO ZINC001268010554 827241462 /nfs/dbraw/zinc/24/14/62/827241462.db2.gz PMPAUVVHPGKLFE-LLVKDONJSA-N 2 0 255.362 -0.584 20 0 CBADRP C[C@@H](C[NH2+]CCN1CCCC1=O)N(C)C(=O)CC[NH+](C)C ZINC001268082208 827254829 /nfs/dbraw/zinc/25/48/29/827254829.db2.gz ARRRVHWXVOUGQU-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@H](C[NH2+]CCn1cncn1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268099574 827256768 /nfs/dbraw/zinc/25/67/68/827256768.db2.gz GKWYXHLDIUELEM-CHWSQXEVSA-N 2 0 294.403 -0.334 20 0 CBADRP C[C@H](CC[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268390735 827320713 /nfs/dbraw/zinc/32/07/13/827320713.db2.gz GFRMKCJVVGBZRL-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CCO)CC[N@@H+]1C ZINC001268542341 827360936 /nfs/dbraw/zinc/36/09/36/827360936.db2.gz OUTVHZDVEWVKKK-OEFFGFFESA-N 2 0 269.389 -0.029 20 0 CBADRP CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268555247 827362146 /nfs/dbraw/zinc/36/21/46/827362146.db2.gz ICJLMZAINSDQTJ-CFHLNLSMSA-N 2 0 296.415 -0.131 20 0 CBADRP C[C@H]([NH2+]C/C=C/CNC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001268550917 827362440 /nfs/dbraw/zinc/36/24/40/827362440.db2.gz XADQQHXNZKUFOX-UFFNRZRYSA-N 2 0 282.388 -0.394 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268556506 827362526 /nfs/dbraw/zinc/36/25/26/827362526.db2.gz PNLXANMCTABWTA-IBPBTGAJSA-N 2 0 296.415 -0.133 20 0 CBADRP CC[C@@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001268579982 827372161 /nfs/dbraw/zinc/37/21/61/827372161.db2.gz UTFGTWXRSJWXBH-PBJSTTKNSA-N 2 0 296.415 -0.003 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)C1(C[NH+](C)C)CC1 ZINC001268580867 827372281 /nfs/dbraw/zinc/37/22/81/827372281.db2.gz DDTJAZWGSKZROH-FYJFLYSWSA-N 2 0 296.415 -0.275 20 0 CBADRP Cn1nncc1C[NH2+]C/C=C/CNC(=O)CC[NH+](C)C ZINC001268585921 827373641 /nfs/dbraw/zinc/37/36/41/827373641.db2.gz BXLGXMQQLJYKFR-SNAWJCMRSA-N 2 0 280.376 -0.471 20 0 CBADRP CC(C)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268628214 827381846 /nfs/dbraw/zinc/38/18/46/827381846.db2.gz ZQYOZJIMMIQQEH-ZFDPJTLLSA-N 2 0 296.415 -0.275 20 0 CBADRP C[C@H](O)C[NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1 ZINC001268625750 827382426 /nfs/dbraw/zinc/38/24/26/827382426.db2.gz SIFMDNFVTUYZHH-DLGQBQFBSA-N 2 0 255.362 -0.275 20 0 CBADRP C[C@H](C[NH2+]CCO)NC(=O)CC1CC[NH+](C)CC1 ZINC001268664559 827396716 /nfs/dbraw/zinc/39/67/16/827396716.db2.gz MIKOBTOQGRAFMW-LLVKDONJSA-N 2 0 257.378 -0.195 20 0 CBADRP COCC[NH2+]C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001268667531 827398556 /nfs/dbraw/zinc/39/85/56/827398556.db2.gz OBGIZSMSHRUKMJ-GFCCVEGCSA-N 2 0 287.404 -0.162 20 0 CBADRP CN(CCC[NH2+]Cc1nncn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268946971 827442783 /nfs/dbraw/zinc/44/27/83/827442783.db2.gz WQKSDHMUDSUBLE-LBPRGKRZSA-N 2 0 294.403 -0.295 20 0 CBADRP CCCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268945968 827443238 /nfs/dbraw/zinc/44/32/38/827443238.db2.gz JMDBSKCJJJZBAX-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]CC(N)=O ZINC001268958780 827444820 /nfs/dbraw/zinc/44/48/20/827444820.db2.gz OXAURXIWOKTEOW-UHFFFAOYSA-N 2 0 258.366 -0.750 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)C[N@H+](C)C(C)C ZINC001268958465 827445079 /nfs/dbraw/zinc/44/50/79/827445079.db2.gz KULZGUJEDYXBJF-GFCCVEGCSA-N 2 0 286.420 -0.101 20 0 CBADRP CN(CC(=O)N1[C@@H]2CC[C@H]1CN(CC[NH+](C)C)C2)C(N)=[NH2+] ZINC001268995865 827446652 /nfs/dbraw/zinc/44/66/52/827446652.db2.gz DDUPPAUKZXOGRW-TXEJJXNPSA-N 2 0 296.419 -0.952 20 0 CBADRP CN(CC(=O)N1CCCC2(C[NH+](C)C2)C1)C(N)=[NH2+] ZINC001268997108 827447033 /nfs/dbraw/zinc/44/70/33/827447033.db2.gz VEXCIWBJYVTQEE-UHFFFAOYSA-N 2 0 253.350 -0.634 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1CCN1CCCO)[NH+](C)C ZINC001269255473 827483726 /nfs/dbraw/zinc/48/37/26/827483726.db2.gz PRNNXRNYSRITGW-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H](O)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001269522870 827516386 /nfs/dbraw/zinc/51/63/86/827516386.db2.gz UJUIITYNTJVKHT-NEPJUHHUSA-N 2 0 269.389 -0.053 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CCO ZINC001270174662 827551204 /nfs/dbraw/zinc/55/12/04/827551204.db2.gz PGEQWDLKJUCDDR-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCO)C1 ZINC001270187281 827552626 /nfs/dbraw/zinc/55/26/26/827552626.db2.gz HSKIUFIWRIQMGK-NWDGAFQWSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]CCO ZINC001270436883 827568746 /nfs/dbraw/zinc/56/87/46/827568746.db2.gz SOFRZUCDIJFJKU-VXGBXAGGSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]CCO ZINC001270436881 827568870 /nfs/dbraw/zinc/56/88/70/827568870.db2.gz SOFRZUCDIJFJKU-NWDGAFQWSA-N 2 0 257.378 -0.195 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]CCO)[NH+](C)C ZINC001270568964 827578909 /nfs/dbraw/zinc/57/89/09/827578909.db2.gz QGEYECCNQMPFMF-NWDGAFQWSA-N 2 0 259.394 -0.093 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]CCO)[NH+](C)C ZINC001270568967 827578954 /nfs/dbraw/zinc/57/89/54/827578954.db2.gz QGEYECCNQMPFMF-VXGBXAGGSA-N 2 0 259.394 -0.093 20 0 CBADRP CC[N@H+](C)CC(=O)N1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001271083133 827620275 /nfs/dbraw/zinc/62/02/75/827620275.db2.gz ANHPXGQIOPTNSD-OKILXGFUSA-N 2 0 298.431 -0.589 20 0 CBADRP C[C@H](C[NH2+]CCO)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001271172133 827672132 /nfs/dbraw/zinc/67/21/32/827672132.db2.gz WZFAZVGVVZXJFI-NEPJUHHUSA-N 2 0 257.378 -0.243 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CC(N)=O)C1 ZINC001271610344 827714616 /nfs/dbraw/zinc/71/46/16/827714616.db2.gz VYZPCMMUAXWDJA-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001271801262 827727337 /nfs/dbraw/zinc/72/73/37/827727337.db2.gz HLCDKHPEHNJZFL-TXEJJXNPSA-N 2 0 267.373 -0.252 20 0 CBADRP CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001271996213 827748000 /nfs/dbraw/zinc/74/80/00/827748000.db2.gz JOBQJUVZWZOJBS-TZMCWYRMSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CCF)CC[N@@H+]1C ZINC001272413589 827794415 /nfs/dbraw/zinc/79/44/15/827794415.db2.gz FBSKDTAOMWYBFP-GMTAPVOTSA-N 2 0 261.341 -0.637 20 0 CBADRP CC[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272437508 827797064 /nfs/dbraw/zinc/79/70/64/827797064.db2.gz KCLUTRIYIQGENP-ZDUSSCGKSA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH+](C)CCN1C(=O)COCC12C[NH+](C[C@H]1CCOC1)C2 ZINC001272508881 827810631 /nfs/dbraw/zinc/81/06/31/827810631.db2.gz QQOIISVJYSVFPR-CYBMUJFWSA-N 2 0 297.399 -0.502 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CC[NH+]2C ZINC001272555005 827820434 /nfs/dbraw/zinc/82/04/34/827820434.db2.gz JRIDQSHEKDUYGC-RWMBFGLXSA-N 2 0 266.389 -0.463 20 0 CBADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCN1C ZINC001272555733 827820929 /nfs/dbraw/zinc/82/09/29/827820929.db2.gz RKKFBSGOXJTTQS-GSPSYOTPSA-N 2 0 280.416 -0.026 20 0 CBADRP C[C@H](CC[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001272688016 827833315 /nfs/dbraw/zinc/83/33/15/827833315.db2.gz FDAKPBGFCFDFIQ-DGCLKSJQSA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@H](CC[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001272689156 827833668 /nfs/dbraw/zinc/83/36/68/827833668.db2.gz YCFIXOLRRNDOCH-MNOVXSKESA-N 2 0 295.391 -0.711 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)CC[NH2+]CC(=O)NC)[NH+](C)C ZINC001273123748 827867922 /nfs/dbraw/zinc/86/79/22/827867922.db2.gz YXULDDJXSUMWMT-GHMZBOCLSA-N 2 0 272.393 -0.443 20 0 CBADRP COCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001273276931 827882997 /nfs/dbraw/zinc/88/29/97/827882997.db2.gz NZGGIEHEELSYKB-KGLIPLIRSA-N 2 0 299.415 -0.066 20 0 CBADRP CCN(CC[NH2+]C[C@@H](C)O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001273298487 827886765 /nfs/dbraw/zinc/88/67/65/827886765.db2.gz QRYXFECXYXGWMP-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP O=C(N1CCO[C@@H](C[NH2+]CCCO)C1)C12CC[NH+](CC1)C2 ZINC001273342170 827890723 /nfs/dbraw/zinc/89/07/23/827890723.db2.gz HUHJQVCPHRGROY-ZDUSSCGKSA-N 2 0 297.399 -0.718 20 0 CBADRP CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CCCO)C1)[NH+](C)C ZINC001273342672 827891515 /nfs/dbraw/zinc/89/15/15/827891515.db2.gz OWRHEJCBDGVYTP-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP CCN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001273554213 827910921 /nfs/dbraw/zinc/91/09/21/827910921.db2.gz IJCJUWWRYDMDKF-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP CCN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001273652931 827915719 /nfs/dbraw/zinc/91/57/19/827915719.db2.gz JTAWHRYRRIVJJF-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP CCN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001273652932 827916210 /nfs/dbraw/zinc/91/62/10/827916210.db2.gz JTAWHRYRRIVJJF-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP CCN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001273652929 827916258 /nfs/dbraw/zinc/91/62/58/827916258.db2.gz JTAWHRYRRIVJJF-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273703248 827920125 /nfs/dbraw/zinc/92/01/25/827920125.db2.gz DQXLPCIODATJNK-WFASDCNBSA-N 2 0 296.415 -0.264 20 0 CBADRP CC(=O)NCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001274000365 827951710 /nfs/dbraw/zinc/95/17/10/827951710.db2.gz SGPQNXIEVZGOHQ-ZIAGYGMSSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(=O)NCC[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273999067 827951742 /nfs/dbraw/zinc/95/17/42/827951742.db2.gz HDMQXIHIIBPDOK-OAHLLOKOSA-N 2 0 296.415 -0.249 20 0 CBADRP CNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001274034327 827954260 /nfs/dbraw/zinc/95/42/60/827954260.db2.gz DKDGZGPWMYTDPQ-YWVDXFKGSA-N 2 0 294.399 -0.664 20 0 CBADRP C[C@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274046476 827956161 /nfs/dbraw/zinc/95/61/61/827956161.db2.gz FDUJSHMINAAQGR-DZGCQCFKSA-N 2 0 299.415 -0.520 20 0 CBADRP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+](CC(N)=O)CC2)C1=O ZINC001274061945 827962475 /nfs/dbraw/zinc/96/24/75/827962475.db2.gz JHMWTRUJWVKGIO-HNNXBMFYSA-N 2 0 296.415 -0.262 20 0 CBADRP CC[C@@H](C(=O)NC/C=C\C[NH2+][C@@H]1CCCNC1=O)[NH+](C)C ZINC001274367560 827985184 /nfs/dbraw/zinc/98/51/84/827985184.db2.gz CEJXWFFBRGWXAO-QLQVPFRHSA-N 2 0 296.415 -0.133 20 0 CBADRP CC1CC[NH+](CC(=O)NC/C=C\C[NH2+]CC(N)=O)CC1 ZINC001274463336 827992401 /nfs/dbraw/zinc/99/24/01/827992401.db2.gz FLVYSMMLLSVXHN-IHWYPQMZSA-N 2 0 282.388 -0.534 20 0 CBADRP CNC(=O)C[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001274506368 827994781 /nfs/dbraw/zinc/99/47/81/827994781.db2.gz AAHZIJFBXJBQQK-NSCUHMNNSA-N 2 0 280.372 -0.910 20 0 CBADRP CC[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001274512439 827996166 /nfs/dbraw/zinc/99/61/66/827996166.db2.gz XXIKHELPLQFEGO-URWSZGRFSA-N 2 0 296.415 -0.179 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]CC(=O)NC2CC2)C1 ZINC001274578080 828004852 /nfs/dbraw/zinc/00/48/52/828004852.db2.gz FBONLOBBJLDQJV-ZZKXABKFSA-N 2 0 294.399 -0.521 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001274588684 828005891 /nfs/dbraw/zinc/00/58/91/828005891.db2.gz LKVHBUPNCHMXKN-UHFFFAOYSA-N 2 0 287.404 -0.738 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)C[N@H+](C)C(C)C ZINC001274608135 828007781 /nfs/dbraw/zinc/00/77/81/828007781.db2.gz DMVIIVGYOHMOQS-ZHRWSRJISA-N 2 0 284.404 -0.277 20 0 CBADRP C[C@H](C[NH2+]CCn1cncn1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001274895136 828037848 /nfs/dbraw/zinc/03/78/48/828037848.db2.gz XJHQZVVMDBIKTA-GFCCVEGCSA-N 2 0 294.403 -0.286 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001274893755 828039340 /nfs/dbraw/zinc/03/93/40/828039340.db2.gz AXGSEWNPMKUZPK-GHMZBOCLSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@H](C[NH2+]C[C@H](C)O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001274893756 828039378 /nfs/dbraw/zinc/03/93/78/828039378.db2.gz AXGSEWNPMKUZPK-MNOVXSKESA-N 2 0 257.378 -0.197 20 0 CBADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]21 ZINC001275172823 828062714 /nfs/dbraw/zinc/06/27/14/828062714.db2.gz WLDZMQGHMHBXCQ-ILXRZTDVSA-N 2 0 283.416 -0.031 20 0 CBADRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](CCN1CCOCC1)C2 ZINC001275990340 828128835 /nfs/dbraw/zinc/12/88/35/828128835.db2.gz IEGGTFMZHKADBP-CVEARBPZSA-N 2 0 296.459 -0.114 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CCOCCO ZINC001276002253 828129778 /nfs/dbraw/zinc/12/97/78/828129778.db2.gz JSINLDVKZHCKTK-CHWSQXEVSA-N 2 0 287.404 -0.617 20 0 CBADRP CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001276076409 828132823 /nfs/dbraw/zinc/13/28/23/828132823.db2.gz OWPFJQVPMZYZTC-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(CCC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001276209441 828137812 /nfs/dbraw/zinc/13/78/12/828137812.db2.gz VRPSSFQTPHVOIN-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CCNC(=O)C[NH2+]CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001276386412 828144166 /nfs/dbraw/zinc/14/41/66/828144166.db2.gz AFZOEGFMVSYIOD-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](CC3(C)COC3)C[C@H]21 ZINC001276422751 828145567 /nfs/dbraw/zinc/14/55/67/828145567.db2.gz XXIBUHYZGWQSLS-KGLIPLIRSA-N 2 0 283.416 -0.031 20 0 CBADRP COC(=O)[C@H](C)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001276524213 828148238 /nfs/dbraw/zinc/14/82/38/828148238.db2.gz YXINRDKMNKHGHO-MCIONIFRSA-N 2 0 299.415 -0.258 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1)C(N)=O ZINC001277246430 828181186 /nfs/dbraw/zinc/18/11/86/828181186.db2.gz ZHOJYNLRFAVPJY-SNVBAGLBSA-N 2 0 268.361 -0.806 20 0 CBADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](CCn3ccnc3)C[C@@H]21 ZINC001277544553 828194019 /nfs/dbraw/zinc/19/40/19/828194019.db2.gz KGCUCRLWQAGYOB-GJZGRUSLSA-N 2 0 293.415 -0.170 20 0 CBADRP C[N@H+](CCO)CCOCCNC(=O)C12CC[NH+](CC1)C2 ZINC001277536019 828194349 /nfs/dbraw/zinc/19/43/49/828194349.db2.gz YTUSSPDVRMXRRY-UHFFFAOYSA-N 2 0 285.388 -0.861 20 0 CBADRP CN(C)CCN1C[C@H]2C[C@@H](C1)N(CCS(C)(=O)=O)C2 ZINC001277588336 828196693 /nfs/dbraw/zinc/19/66/93/828196693.db2.gz KPVYJDPFXPFDOJ-OLZOCXBDSA-N 2 0 289.445 -0.401 20 0 CBADRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NC1CC1)C2 ZINC001277630095 828198929 /nfs/dbraw/zinc/19/89/29/828198929.db2.gz CHDXWOGONXTBJE-OCCSQVGLSA-N 2 0 280.416 -0.167 20 0 CBADRP C[NH+](C)CCN1CC2(C1)CCC[N@H+](CC(N)=O)C2 ZINC001277982231 828225993 /nfs/dbraw/zinc/22/59/93/828225993.db2.gz VLOHHAFBUQQRHG-UHFFFAOYSA-N 2 0 254.378 -0.569 20 0 CBADRP CNC(=O)C[N@H+]1C[C@@H]2CC[NH+](CCN(C)C)CC[C@@H]2C1 ZINC001278014338 828230474 /nfs/dbraw/zinc/23/04/74/828230474.db2.gz YMKRYOMRWWQIMX-OKILXGFUSA-N 2 0 282.432 -0.062 20 0 CBADRP CNC(=O)C[N@@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001278012811 828230661 /nfs/dbraw/zinc/23/06/61/828230661.db2.gz HURFMCXEKBMUBH-UHFFFAOYSA-N 2 0 268.405 -0.308 20 0 CBADRP C[NH+](C)CCCN1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001278057387 828239251 /nfs/dbraw/zinc/23/92/51/828239251.db2.gz IWKGSPIOCJPSCT-GJZGRUSLSA-N 3 0 284.448 -0.115 20 0 CBADRP CCCC[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001278193621 828258418 /nfs/dbraw/zinc/25/84/18/828258418.db2.gz AJSXWGIKTQMSOD-GFCCVEGCSA-N 2 0 257.378 -0.051 20 0 CBADRP CN(C[C@H](O)C[NH2+]CCF)C(=O)[C@H]1CCC[N@@H+]1C ZINC001278737761 828279793 /nfs/dbraw/zinc/27/97/93/828279793.db2.gz UHVVTHJGFGJRLU-GHMZBOCLSA-N 2 0 261.341 -0.541 20 0 CBADRP CN(C[C@@H](O)C[NH2+]CCCF)C(=O)[C@H]1CCC[N@@H+]1C ZINC001278791700 828289325 /nfs/dbraw/zinc/28/93/25/828289325.db2.gz OKRXSTJCHMGTBE-NWDGAFQWSA-N 2 0 275.368 -0.151 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC001348307611 890590072 /nfs/dbraw/zinc/59/00/72/890590072.db2.gz KBJDOBDZUSDEST-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001348307232 890590670 /nfs/dbraw/zinc/59/06/70/890590670.db2.gz PXWIDHLJUIMEOM-WDEREUQCSA-N 2 0 258.366 -0.792 20 0 CBADRP CC[NH2+]CCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001349585026 890840959 /nfs/dbraw/zinc/84/09/59/890840959.db2.gz IVXPXAFVCKSFEI-QGZVFWFLSA-N 2 0 261.391 -0.787 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC001349657131 890861961 /nfs/dbraw/zinc/86/19/61/890861961.db2.gz YSQFRYBHZPIDGO-AAEUAGOBSA-N 2 0 256.394 -0.229 20 0 CBADRP C[C@H](CO)[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC001200844573 884743136 /nfs/dbraw/zinc/74/31/36/884743136.db2.gz IYSNGSKHEFJHRZ-LLVKDONJSA-N 2 0 265.361 -0.301 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC001326409498 885019495 /nfs/dbraw/zinc/01/94/95/885019495.db2.gz YXGAJOZSUPXZTE-QJPTWQEYSA-N 2 0 255.362 -0.036 20 0 CBADRP [NH3+]CCOCC(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC001326905959 885189517 /nfs/dbraw/zinc/18/95/17/885189517.db2.gz IWYFRIWOIVWMMF-JHJVBQTASA-N 2 0 285.388 -0.151 20 0 CBADRP [NH3+]Cc1ccc(C(=O)N2CCCO[C@@H](C[NH3+])C2)o1 ZINC001326938766 885197055 /nfs/dbraw/zinc/19/70/55/885197055.db2.gz SXSIMEVEJRIHMI-JTQLQIEISA-N 2 0 253.302 -0.072 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001327501400 885377682 /nfs/dbraw/zinc/37/76/82/885377682.db2.gz XKKJBAJSINLAOG-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@]12COC[C@@H]1C[N@H+](CC(=O)N1CC[NH2+]CC1)C2 ZINC001327560873 885408075 /nfs/dbraw/zinc/40/80/75/885408075.db2.gz AFDTYKKKARXVGF-WCQYABFASA-N 2 0 253.346 -0.614 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001327710867 885459152 /nfs/dbraw/zinc/45/91/52/885459152.db2.gz IZYKXTHQQUWYAZ-CHWSQXEVSA-N 2 0 257.378 -0.950 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001327929829 885531142 /nfs/dbraw/zinc/53/11/42/885531142.db2.gz VSKKDTFBYPDVNE-BJDJZHNGSA-N 2 0 253.346 -0.439 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])CC(F)F)CCCO1 ZINC001328339709 885641382 /nfs/dbraw/zinc/64/13/82/885641382.db2.gz RRDPJNDXACDVFU-HTQZYQBOSA-N 2 0 251.277 -0.455 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001328412263 885678085 /nfs/dbraw/zinc/67/80/85/885678085.db2.gz HTTJRBMDNHSROE-UPJWGTAASA-N 3 0 266.389 -0.665 20 0 CBADRP COCC[NH2+]CC1CC(NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001328841056 885825031 /nfs/dbraw/zinc/82/50/31/885825031.db2.gz IPGYSLIGLNFFHU-BPCQOVAHSA-N 2 0 285.388 -0.552 20 0 CBADRP [NH3+]C1CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC001329056808 885905863 /nfs/dbraw/zinc/90/58/63/885905863.db2.gz YBOSRKHWKSLYBH-UHFFFAOYSA-N 2 0 256.350 -0.373 20 0 CBADRP COC1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001329513442 886103737 /nfs/dbraw/zinc/10/37/37/886103737.db2.gz CDNUPSQIPRUUMO-ZDUSSCGKSA-N 2 0 267.373 -0.033 20 0 CBADRP O=C(COC1CC[NH2+]CC1)NCC1CC[NH2+]CC1 ZINC001329465746 886079005 /nfs/dbraw/zinc/07/90/05/886079005.db2.gz RZCRQVADJCJOBT-UHFFFAOYSA-N 2 0 255.362 -0.129 20 0 CBADRP COC1(C(=O)NCC[C@@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC001329546771 886115865 /nfs/dbraw/zinc/11/58/65/886115865.db2.gz YJJWFYSVMICKIB-NSHDSACASA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC001330578166 886488141 /nfs/dbraw/zinc/48/81/41/886488141.db2.gz LQTQQNGQQLLGOL-JQWIXIFHSA-N 2 0 259.350 -0.894 20 0 CBADRP [NH3+]CC1(NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CCOCC1 ZINC001330626013 886507193 /nfs/dbraw/zinc/50/71/93/886507193.db2.gz VQPFIHRCIAANTB-UWVGGRQHSA-N 2 0 259.325 -0.442 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3=NO[C@@H](C[NH3+])C3)CC[C@@H]21 ZINC001330641124 886513555 /nfs/dbraw/zinc/51/35/55/886513555.db2.gz PTHQVCLYHGJBDX-FOGDFJRCSA-N 2 0 266.345 -0.357 20 0 CBADRP C[NH2+]CC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001330892163 886617066 /nfs/dbraw/zinc/61/70/66/886617066.db2.gz KQYXSVMDABERNB-UHFFFAOYSA-N 2 0 250.306 -0.956 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001331707710 886924333 /nfs/dbraw/zinc/92/43/33/886924333.db2.gz NVQKWTOFDLHDSB-KOLCDFICSA-N 2 0 263.345 -0.297 20 0 CBADRP CC(C)=CC[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001331775661 886973865 /nfs/dbraw/zinc/97/38/65/886973865.db2.gz UDLSJTZDMMKCMY-GFCCVEGCSA-N 2 0 257.378 -0.029 20 0 CBADRP CN(C(=O)COC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001332156932 887135650 /nfs/dbraw/zinc/13/56/50/887135650.db2.gz LAQIHAGIFHDPQR-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]CCCCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001332178277 887143154 /nfs/dbraw/zinc/14/31/54/887143154.db2.gz BDOMFJAIZDBCKK-SNVBAGLBSA-N 2 0 266.349 -0.329 20 0 CBADRP CO[C@@H](C)c1noc(CN2CC[NH2+]CC[NH2+]CC2)n1 ZINC001332335479 887210871 /nfs/dbraw/zinc/21/08/71/887210871.db2.gz WVQUOZGLIAHTAA-JTQLQIEISA-N 2 0 269.349 -0.228 20 0 CBADRP C(CN1CC[NH2+]CC[NH2+]CC1)OC1CCOCC1 ZINC001332365400 887233622 /nfs/dbraw/zinc/23/36/22/887233622.db2.gz RYFIOPAVFYLFTN-UHFFFAOYSA-N 2 0 257.378 -0.323 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001332563641 887359798 /nfs/dbraw/zinc/35/97/98/887359798.db2.gz LJZJTLVAAZYAON-CYBMUJFWSA-N 2 0 266.389 -0.461 20 0 CBADRP CN1CCO[C@@H](C(=O)N[C@H](C[NH2+]CCO)C(C)(C)C)C1 ZINC001332776448 887428078 /nfs/dbraw/zinc/42/80/78/887428078.db2.gz SXUFKPQMJGEITJ-VXGBXAGGSA-N 2 0 287.404 -0.570 20 0 CBADRP CN1CCO[C@H](C(=O)N[C@@H](C[NH2+]CCO)C(C)(C)C)C1 ZINC001332776443 887429102 /nfs/dbraw/zinc/42/91/02/887429102.db2.gz SXUFKPQMJGEITJ-RYUDHWBXSA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@@H](NC(=O)CNC(C[NH3+])C[NH3+])c1cccs1 ZINC001332816610 887438399 /nfs/dbraw/zinc/43/83/99/887438399.db2.gz VLVLNQLXUVOGRB-MRVPVSSYSA-N 2 0 256.375 -0.199 20 0 CBADRP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NC(=O)C1(O)C[NH2+]C1 ZINC001333220629 887564065 /nfs/dbraw/zinc/56/40/65/887564065.db2.gz NXDZEEPQZCWQTP-BBBLOLIVSA-N 2 0 253.346 -0.787 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)NCc1cnc(N(C)C)n1C ZINC001333177586 887552555 /nfs/dbraw/zinc/55/25/55/887552555.db2.gz FKBIJPRHUUETQQ-SNVBAGLBSA-N 2 0 269.349 -0.534 20 0 CBADRP O=C1N[C@H]2C[N@H+](CCO)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC001334337835 887924921 /nfs/dbraw/zinc/92/49/21/887924921.db2.gz MQZFPWUSUZAVPU-RYUDHWBXSA-N 2 0 268.361 -0.801 20 0 CBADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](O)CS(C)(=O)=O ZINC001334389479 887947752 /nfs/dbraw/zinc/94/77/52/887947752.db2.gz HTXPZPURIIRJDK-UWVGGRQHSA-N 2 0 252.380 -0.501 20 0 CBADRP CS(=O)(=O)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC001334391411 887947829 /nfs/dbraw/zinc/94/78/29/887947829.db2.gz UGEUJQYHTJQMQV-IVZWLZJFSA-N 2 0 250.364 -0.891 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])CC2)CC[N@@H+]1C ZINC001335207469 888447227 /nfs/dbraw/zinc/44/72/27/888447227.db2.gz RPHBVZTXSWNDNF-UWVGGRQHSA-N 2 0 268.361 -0.807 20 0 CBADRP C[C@@H](NC(=O)C1(C[NH3+])CC(O)C1)[C@H]1CCC[NH2+]C1 ZINC001335264322 888475765 /nfs/dbraw/zinc/47/57/65/888475765.db2.gz KYHAMKDFPQSMMT-CFGSLIKFSA-N 2 0 255.362 -0.410 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC001335228911 888455500 /nfs/dbraw/zinc/45/55/00/888455500.db2.gz DUEKEDHMDNMYQK-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001335604714 888579877 /nfs/dbraw/zinc/57/98/77/888579877.db2.gz UMXCERPTOIFPNA-VWYCJHECSA-N 2 0 256.350 -0.871 20 0 CBADRP CCN(CC[NH3+])C(=O)NCCN1CCC([NH3+])CC1 ZINC001335623282 888586686 /nfs/dbraw/zinc/58/66/86/888586686.db2.gz NJKUZPBUWGHEHM-UHFFFAOYSA-N 2 0 257.382 -0.600 20 0 CBADRP C[C@@H]1CN(C(=O)NCCOCCC[NH3+])CC[C@H]1C[NH3+] ZINC001335616996 888581462 /nfs/dbraw/zinc/58/14/62/888581462.db2.gz DFWHXCBGMQOSNT-NEPJUHHUSA-N 2 0 272.393 -0.022 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@@H](C[NH3+])C1 ZINC001335692332 888605584 /nfs/dbraw/zinc/60/55/84/888605584.db2.gz PJEOTKPLLQPNMN-NNYUYHANSA-N 2 0 267.377 -0.836 20 0 CBADRP [NH3+]CC1(O)CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC001336093227 888692115 /nfs/dbraw/zinc/69/21/15/888692115.db2.gz FUODFLIYQOZAFA-QWHCGFSZSA-N 3 0 269.389 -0.459 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001336688225 888847195 /nfs/dbraw/zinc/84/71/95/888847195.db2.gz WLECODWLCOPWFT-GXFFZTMASA-N 2 0 268.361 -0.143 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC001336992445 888943780 /nfs/dbraw/zinc/94/37/80/888943780.db2.gz BZHDPPWAGOTCLU-YFKTTZPYSA-N 2 0 252.362 -0.025 20 0 CBADRP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC001337006159 888947490 /nfs/dbraw/zinc/94/74/90/888947490.db2.gz DNRUJISHZNHNQH-HGCLJGPKSA-N 2 0 267.373 -0.005 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001337037340 888951911 /nfs/dbraw/zinc/95/19/11/888951911.db2.gz PIRUASUDRMGZTD-AXFHLTTASA-N 2 0 252.362 -0.155 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001337532872 889030569 /nfs/dbraw/zinc/03/05/69/889030569.db2.gz TWKZMTKAHDCAFQ-GMTAPVOTSA-N 2 0 268.361 -0.950 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCCO1 ZINC001337974140 889102788 /nfs/dbraw/zinc/10/27/88/889102788.db2.gz HYMWECCXUOHHEQ-DCAQKATOSA-N 2 0 256.350 -0.517 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC001340240111 889414342 /nfs/dbraw/zinc/41/43/42/889414342.db2.gz FUFMERYQZLKGEE-YNEHKIRRSA-N 2 0 266.389 -0.510 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2C[NH2+]CCC23CCC3)CCO1 ZINC001340268103 889417015 /nfs/dbraw/zinc/41/70/15/889417015.db2.gz XPRUPOTUOUGBLT-NWDGAFQWSA-N 2 0 267.373 -0.048 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001340296253 889419808 /nfs/dbraw/zinc/41/98/08/889419808.db2.gz HJTQQYBTPZRYLJ-OXHZDVMGSA-N 2 0 269.389 -0.006 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC001340197047 889408455 /nfs/dbraw/zinc/40/84/55/889408455.db2.gz WHLSBHOXPBVNJV-TUAOUCFPSA-N 2 0 257.378 -0.245 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1[NH2+]CC12CCOCC2 ZINC001340529028 889443255 /nfs/dbraw/zinc/44/32/55/889443255.db2.gz INZUPCHELNROFD-ZDCRXTMVSA-N 2 0 251.330 -0.911 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)c1ccn(CCC[NH3+])n1 ZINC001340710094 889471236 /nfs/dbraw/zinc/47/12/36/889471236.db2.gz OXLVLZWRSKCNFJ-UHFFFAOYSA-N 2 0 283.376 -0.460 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001340693459 889467802 /nfs/dbraw/zinc/46/78/02/889467802.db2.gz ZRPAJXFPQKYGII-WZRBSPASSA-N 2 0 255.362 -0.171 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC001340839536 889495646 /nfs/dbraw/zinc/49/56/46/889495646.db2.gz TVBQGZSHZGSNIK-QWRGUYRKSA-N 2 0 257.378 -0.245 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001340881083 889503481 /nfs/dbraw/zinc/50/34/81/889503481.db2.gz QETMTUVESLVSSE-RYUDHWBXSA-N 2 0 255.362 -0.360 20 0 CBADRP C[C@]1(CNC(=O)C2(C[NH3+])CC(O)C2)CCC[NH2+]C1 ZINC001340905664 889509739 /nfs/dbraw/zinc/50/97/39/889509739.db2.gz IBIIZNWKLJQRKX-YDGIUTOCSA-N 2 0 255.362 -0.408 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)[C@H]1C[NH2+]CCN1C ZINC001340914176 889513424 /nfs/dbraw/zinc/51/34/24/889513424.db2.gz FRSHMQLIKUKRKV-IJLUTSLNSA-N 2 0 254.378 -0.748 20 0 CBADRP O=C([C@H]1CC12CC[NH2+]CC2)N1CC[NH2+]C[C@H]1CO ZINC001340955159 889522473 /nfs/dbraw/zinc/52/24/73/889522473.db2.gz XKXXLZVGNKAVED-WDEREUQCSA-N 2 0 253.346 -0.831 20 0 CBADRP CSCC[C@H]([NH3+])CC(=O)N1CC[NH2+]C[C@@H]1CO ZINC001340952495 889522504 /nfs/dbraw/zinc/52/25/04/889522504.db2.gz JDWSRCMJQHHTQK-VHSXEESVSA-N 2 0 261.391 -0.750 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCN1CCC([NH3+])CC1 ZINC001341056094 889535355 /nfs/dbraw/zinc/53/53/55/889535355.db2.gz GXWPTRMCFMDGJZ-OLZOCXBDSA-N 2 0 268.405 -0.086 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCNCC[NH2+]CC2)C1 ZINC001341100243 889541273 /nfs/dbraw/zinc/54/12/73/889541273.db2.gz UDUWKHRKHGJTER-NWDGAFQWSA-N 2 0 254.378 -0.475 20 0 CBADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CCNCC[NH2+]CC1 ZINC001341100255 889543056 /nfs/dbraw/zinc/54/30/56/889543056.db2.gz UJUOVLJORDIYTD-GFCCVEGCSA-N 2 0 256.394 -0.229 20 0 CBADRP CC[C@]1(C(=O)N2CCC[C@]([NH3+])(CO)C2)CC[NH2+]C1 ZINC001341115810 889545452 /nfs/dbraw/zinc/54/54/52/889545452.db2.gz JNZJTLFAPXAEMY-QWHCGFSZSA-N 2 0 255.362 -0.312 20 0 CBADRP CC(C)(C[NH3+])CC(=O)N1NC(=O)CC12CC[NH2+]CC2 ZINC001341156522 889550627 /nfs/dbraw/zinc/55/06/27/889550627.db2.gz QDPTYWPWWRPHMG-UHFFFAOYSA-N 2 0 268.361 -0.253 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC001341244616 889565364 /nfs/dbraw/zinc/56/53/64/889565364.db2.gz QICFLDFZVCMSNN-USZNOCQGSA-N 2 0 257.378 -0.293 20 0 CBADRP C[C@@H](CC(=O)N[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CCC[NH2+]C1 ZINC001341416907 889591550 /nfs/dbraw/zinc/59/15/50/889591550.db2.gz DHEJYOVXUBXJQV-QCNOEVLYSA-N 2 0 255.362 -0.539 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)[C@@H](C)[NH2+]C1CC1 ZINC001341468271 889604809 /nfs/dbraw/zinc/60/48/09/889604809.db2.gz PHBWDSIMIKAAGX-PWSUYJOCSA-N 2 0 255.362 -0.036 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC001341518286 889614594 /nfs/dbraw/zinc/61/45/94/889614594.db2.gz VLCMJHLCKBOTCC-BZPMIXESSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NCC[NH+]1CCCC1 ZINC001341536414 889618622 /nfs/dbraw/zinc/61/86/22/889618622.db2.gz ZXHMHHNRUHAPOZ-ZDUSSCGKSA-N 2 0 255.362 -0.297 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2C[C@@H]([NH3+])C23CCC3)CC[NH2+]C1 ZINC001341550195 889620194 /nfs/dbraw/zinc/62/01/94/889620194.db2.gz AEIRBKRMGKUSPL-WZRBSPASSA-N 2 0 267.373 -0.001 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC001341633545 889638231 /nfs/dbraw/zinc/63/82/31/889638231.db2.gz FIGRWIXDJANFQI-OFTGVCEQSA-N 2 0 266.389 -0.668 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001341672908 889645971 /nfs/dbraw/zinc/64/59/71/889645971.db2.gz PMVIMWBKEPQBKW-FZMZJTMJSA-N 2 0 267.373 -0.156 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC001341690885 889648234 /nfs/dbraw/zinc/64/82/34/889648234.db2.gz PBIXSJJYMHJNPA-LBPRGKRZSA-N 2 0 268.405 -0.085 20 0 CBADRP C[C@]1(C(=O)NCCN2CCC([NH3+])CC2)CCC[NH2+]C1 ZINC001341689543 889648299 /nfs/dbraw/zinc/64/82/99/889648299.db2.gz APSCYWIPVVTONT-AWEZNQCLSA-N 2 0 268.405 -0.085 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001341795370 889665079 /nfs/dbraw/zinc/66/50/79/889665079.db2.gz IJUBSUQVWTYJIX-MDZLAQPJSA-N 2 0 255.362 -0.265 20 0 CBADRP CC1(C)CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[NH2+]1 ZINC001341799099 889665583 /nfs/dbraw/zinc/66/55/83/889665583.db2.gz SHMGXRHXQXACSO-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP C[NH+]1CCC(OCC(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001341838212 889671265 /nfs/dbraw/zinc/67/12/65/889671265.db2.gz IHGNARMLJCKYGI-UHFFFAOYSA-N 2 0 284.404 -0.881 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001341840718 889672030 /nfs/dbraw/zinc/67/20/30/889672030.db2.gz QUZYYLCSEDCAIK-LLGAQUFESA-N 2 0 266.389 -0.581 20 0 CBADRP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCO)CC1 ZINC001443687398 912257244 /nfs/dbraw/zinc/25/72/44/912257244.db2.gz MFXVXQSNTXNXAD-STQMWFEESA-N 2 0 281.400 -0.004 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001342187284 889728667 /nfs/dbraw/zinc/72/86/67/889728667.db2.gz LPZMXIGUAWGUHV-ADEWGFFLSA-N 2 0 253.346 -0.236 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001342429148 889772891 /nfs/dbraw/zinc/77/28/91/889772891.db2.gz JJTGSMPBHCXKLE-TUAOUCFPSA-N 2 0 267.373 -0.144 20 0 CBADRP [NH3+]CCNCC(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC001342435383 889776225 /nfs/dbraw/zinc/77/62/25/889776225.db2.gz GHMMRXVEDTVFET-LBPRGKRZSA-N 2 0 268.405 -0.037 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC001342720961 889821369 /nfs/dbraw/zinc/82/13/69/889821369.db2.gz ARFKCVMRAKRWBG-DGCLKSJQSA-N 2 0 255.362 -0.312 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)CC[C@@H]1C[NH3+] ZINC001342737751 889823144 /nfs/dbraw/zinc/82/31/44/889823144.db2.gz DQMSZDOEKYGDAI-IJLUTSLNSA-N 2 0 256.394 -0.291 20 0 CBADRP CNC(=O)C[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCC1 ZINC001444079994 912353225 /nfs/dbraw/zinc/35/32/25/912353225.db2.gz OJYVPARMMDZCEC-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC001343199449 889876499 /nfs/dbraw/zinc/87/64/99/889876499.db2.gz CJMKSWPYVRPAHY-UKKRHICBSA-N 2 0 253.346 -0.264 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001343472023 889915863 /nfs/dbraw/zinc/91/58/63/889915863.db2.gz CBHFNSHFIXOXPH-NQBHXWOUSA-N 2 0 255.362 -0.123 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)[C@H]1C ZINC001343484913 889917783 /nfs/dbraw/zinc/91/77/83/889917783.db2.gz BHVZVMCJFAKVCO-SDDRHHMPSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)[C@H]1C[N@H+](C)CCN1C ZINC001343487596 889917842 /nfs/dbraw/zinc/91/78/42/889917842.db2.gz FHGWEDGSMNDTMS-ZDEQEGDKSA-N 2 0 268.405 -0.265 20 0 CBADRP [NH3+]CCCN(CC1CCCC1)C(=O)CNCC[NH3+] ZINC001343487744 889922913 /nfs/dbraw/zinc/92/29/13/889922913.db2.gz SHYUHFPVOGNNKL-UHFFFAOYSA-N 2 0 256.394 -0.098 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001343507188 889925584 /nfs/dbraw/zinc/92/55/84/889925584.db2.gz HUDNGEUWGOAETM-NWDGAFQWSA-N 2 0 269.389 -0.067 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])[C@H]1C[N@H+](C)CCN1C ZINC001343581781 889935243 /nfs/dbraw/zinc/93/52/43/889935243.db2.gz FMADLHMMOUVWQS-DDHJBXDOSA-N 2 0 254.378 -0.668 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1cnn(C)n1 ZINC001444300654 912414190 /nfs/dbraw/zinc/41/41/90/912414190.db2.gz HFGACQLFGCJLOB-AAEUAGOBSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(N)=O)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001444627972 912482008 /nfs/dbraw/zinc/48/20/08/912482008.db2.gz HZBUZAOIRSFVDU-VXGBXAGGSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001444638297 912485148 /nfs/dbraw/zinc/48/51/48/912485148.db2.gz RVVVCHSKLNQHQB-JTQLQIEISA-N 2 0 270.377 -0.608 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001444638323 912485452 /nfs/dbraw/zinc/48/54/52/912485452.db2.gz RYTHNJFXKPZSCN-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001444684097 912490571 /nfs/dbraw/zinc/49/05/71/912490571.db2.gz DMVGWUBTKIKJPJ-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP O=C(N1CCNCC[NH2+]CC1)C12CCC(CC1)[NH2+]2 ZINC001344964505 890086259 /nfs/dbraw/zinc/08/62/59/890086259.db2.gz ZIXXHHXNSVPCGS-UHFFFAOYSA-N 2 0 252.362 -0.708 20 0 CBADRP [NH3+][C@H](CO)C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001345027408 890091352 /nfs/dbraw/zinc/09/13/52/890091352.db2.gz QYVKILVJQKJOJE-DGCLKSJQSA-N 2 0 269.389 -0.066 20 0 CBADRP O[C@H](C[NH2+]CCC[NH+]1CCCC1)C1(O)CCOCC1 ZINC001345088671 890100014 /nfs/dbraw/zinc/10/00/14/890100014.db2.gz AMAQUKYFJAJRSK-CYBMUJFWSA-N 2 0 272.389 -0.036 20 0 CBADRP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001444763063 912503539 /nfs/dbraw/zinc/50/35/39/912503539.db2.gz WHQRATQPUGRXEY-CHWSQXEVSA-N 2 0 298.431 -0.066 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001346057533 890206435 /nfs/dbraw/zinc/20/64/35/890206435.db2.gz OELGDWRTFKAYPL-XSRFYTQQSA-N 2 0 255.362 -0.456 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCC(OCCC[NH3+])CC1 ZINC001346056853 890207548 /nfs/dbraw/zinc/20/75/48/890207548.db2.gz DTPJTHXRXMZEEX-NSHDSACASA-N 2 0 259.350 -0.684 20 0 CBADRP C[NH+]1CCN(CCC[NH2+]C[C@H](O)C2(O)CCC2)CC1 ZINC001346150204 890223932 /nfs/dbraw/zinc/22/39/32/890223932.db2.gz JVHQPTBJPRGSDP-ZDUSSCGKSA-N 2 0 271.405 -0.511 20 0 CBADRP Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001445145539 912577168 /nfs/dbraw/zinc/57/71/68/912577168.db2.gz CSERSWFSFJFCIE-YPMHNXCESA-N 2 0 296.371 -0.356 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(Cn2cnnc2)CC1 ZINC001346218295 890242290 /nfs/dbraw/zinc/24/22/90/890242290.db2.gz KXFWFBJMGZLUHI-CYBMUJFWSA-N 2 0 267.377 -0.040 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(C[NH3+])CC(O)C3)[C@@H]2C1 ZINC001346384990 890279959 /nfs/dbraw/zinc/27/99/59/890279959.db2.gz LSQHNKNGDSJEOR-VKVJQFQGSA-N 2 0 267.373 -0.457 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)cn1 ZINC001445221035 912604281 /nfs/dbraw/zinc/60/42/81/912604281.db2.gz AGEZCQJRGRSLPY-ZDUSSCGKSA-N 2 0 298.362 -0.261 20 0 CBADRP Cc1ccncc1C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C ZINC001445221086 912604763 /nfs/dbraw/zinc/60/47/63/912604763.db2.gz ATJSVDLITYINLD-AWEZNQCLSA-N 2 0 294.399 -0.092 20 0 CBADRP Cn1ccnc1CCC(=O)NC[C@](C)(O)C[NH+](C)C ZINC001346708517 890341652 /nfs/dbraw/zinc/34/16/52/890341652.db2.gz OHUOQBBBFXOJTE-ZDUSSCGKSA-N 2 0 268.361 -0.219 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001445332744 912636811 /nfs/dbraw/zinc/63/68/11/912636811.db2.gz YQINNISRVVIZIM-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[C@H]([NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001445387065 912652367 /nfs/dbraw/zinc/65/23/67/912652367.db2.gz CTOQVUXREXAYPP-MNOVXSKESA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)C1([NH+](C)C)CCC1 ZINC001445558318 912701526 /nfs/dbraw/zinc/70/15/26/912701526.db2.gz PVGBUMBVSPMGCN-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001445569500 912703488 /nfs/dbraw/zinc/70/34/88/912703488.db2.gz UOTOZXMWODGOPE-WCQYABFASA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C ZINC001445610438 912709888 /nfs/dbraw/zinc/70/98/88/912709888.db2.gz VEZPMEJQOCEJBP-RWMBFGLXSA-N 2 0 298.431 -0.102 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001445604065 912710650 /nfs/dbraw/zinc/71/06/50/912710650.db2.gz HELDWSPEAQKFFZ-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001445603339 912712124 /nfs/dbraw/zinc/71/21/24/912712124.db2.gz DPQKWTTWYDBUSY-AXFHLTTASA-N 2 0 270.377 -0.691 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001445609105 912712554 /nfs/dbraw/zinc/71/25/54/912712554.db2.gz HMZKJQPCOFLJLC-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@H]([NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1)C(N)=O ZINC001445647307 912722810 /nfs/dbraw/zinc/72/28/10/912722810.db2.gz JKHRPQGHLSNJAZ-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)C[NH+]1CCCC1 ZINC001445647585 912725863 /nfs/dbraw/zinc/72/58/63/912725863.db2.gz KZAHSJLGLPNRLJ-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH+](C)CCn1ccc(C(=O)NCC2([NH2+]CCO)CC2)n1 ZINC001446169320 912830297 /nfs/dbraw/zinc/83/02/97/912830297.db2.gz SDNRGESJTDPSQZ-UHFFFAOYSA-N 2 0 295.387 -0.711 20 0 CBADRP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@H+](CCO)C[C@@H]2O)CC1 ZINC001090604406 884643671 /nfs/dbraw/zinc/64/36/71/884643671.db2.gz BVRTXXOJYUYEFP-KBPBESRZSA-N 2 0 299.415 -0.738 20 0 CBADRP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@H+](CCO)C[C@@H]2O)CC1 ZINC001090604409 884645788 /nfs/dbraw/zinc/64/57/88/884645788.db2.gz BVRTXXOJYUYEFP-KGLIPLIRSA-N 2 0 299.415 -0.738 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001188158697 884722523 /nfs/dbraw/zinc/72/25/23/884722523.db2.gz VDGBOBVIDWPAJF-QWHCGFSZSA-N 2 0 298.431 -0.006 20 0 CBADRP [NH3+]C[C@H]1CN(C[C@@H]2Cc3ccccc3C[NH2+]2)C[C@H]1O ZINC001206464290 884758257 /nfs/dbraw/zinc/75/82/57/884758257.db2.gz LYTLCPXXCXWYNS-SOUVJXGZSA-N 2 0 261.369 -0.048 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001210811628 884766144 /nfs/dbraw/zinc/76/61/44/884766144.db2.gz PJRBIGIPNFENAS-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001211353692 884770353 /nfs/dbraw/zinc/77/03/53/884770353.db2.gz HXAZHFKIOFGHHE-QWRGUYRKSA-N 2 0 271.361 -0.452 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC001326038045 884884077 /nfs/dbraw/zinc/88/40/77/884884077.db2.gz NJRYBJKOMGTZTO-JTQLQIEISA-N 2 0 256.350 -0.996 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N(CCO)CC[NH2+]CCF ZINC001326046268 884886045 /nfs/dbraw/zinc/88/60/45/884886045.db2.gz VKUTVIJEGYFPOZ-LBPRGKRZSA-N 2 0 275.368 -0.149 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001446420904 912879576 /nfs/dbraw/zinc/87/95/76/912879576.db2.gz PVVZWGVEIPNCES-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H](O)C[NH2+]CCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001326135629 884919895 /nfs/dbraw/zinc/91/98/95/884919895.db2.gz XZBMZDOXGINPND-QWHCGFSZSA-N 2 0 287.404 -0.881 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC(C)(C)CO)CC1 ZINC001326198414 884937647 /nfs/dbraw/zinc/93/76/47/884937647.db2.gz CXMUHZXKVOZTTH-LBPRGKRZSA-N 2 0 259.394 -0.797 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCCCO)CC1 ZINC001326199396 884938990 /nfs/dbraw/zinc/93/89/90/884938990.db2.gz ISSAKDCINSQHHY-ZDUSSCGKSA-N 2 0 259.394 -0.653 20 0 CBADRP CC[C@H](CCO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001326200704 884941198 /nfs/dbraw/zinc/94/11/98/884941198.db2.gz PYOJNSVEOHRFSP-CHWSQXEVSA-N 2 0 259.394 -0.655 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC001326256967 884960295 /nfs/dbraw/zinc/96/02/95/884960295.db2.gz CNNJAVXTEQDXDQ-VIFPVBQESA-N 2 0 263.345 -0.134 20 0 CBADRP C[NH2+][C@@H](C(=O)N1CCC([NH2+]C)CC1)c1cnn(C)c1 ZINC001326256880 884961569 /nfs/dbraw/zinc/96/15/69/884961569.db2.gz BMYZUUNJGZGLIT-GFCCVEGCSA-N 2 0 265.361 -0.109 20 0 CBADRP CCCN(CC(=O)N1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001326274490 884964172 /nfs/dbraw/zinc/96/41/72/884964172.db2.gz CBIVFAGWNSWHDJ-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP CCCN(CC(=O)N1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC001326274488 884965161 /nfs/dbraw/zinc/96/51/61/884965161.db2.gz CBIVFAGWNSWHDJ-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP O=C(CN1CC[C@@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001326277998 884968883 /nfs/dbraw/zinc/96/88/83/884968883.db2.gz PZQLQCVAFVORPA-CYBMUJFWSA-N 2 0 252.362 -0.896 20 0 CBADRP C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)[C@H]1CC[NH2+]C1 ZINC001326311202 884984309 /nfs/dbraw/zinc/98/43/09/884984309.db2.gz QHKHKBLPDMAAIL-ZIAGYGMSSA-N 3 0 252.406 -0.035 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001326325321 884989932 /nfs/dbraw/zinc/98/99/32/884989932.db2.gz PBLJJFNMLWEQJG-SECBINFHSA-N 2 0 266.349 -0.330 20 0 CBADRP C[NH+](C)C1(CNC(=O)COCC[NH3+])CCOCC1 ZINC001326325688 884990651 /nfs/dbraw/zinc/99/06/51/884990651.db2.gz MMKWRYXHBOEQDM-UHFFFAOYSA-N 2 0 259.350 -0.811 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001326339815 884994635 /nfs/dbraw/zinc/99/46/35/884994635.db2.gz QVIFCMUXTJZNEH-STQMWFEESA-N 2 0 266.389 -0.508 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC001326352728 885002472 /nfs/dbraw/zinc/00/24/72/885002472.db2.gz JSCOPFDUAVSJFC-UWVGGRQHSA-N 2 0 263.345 -0.080 20 0 CBADRP C[C@H](CNC(=O)C[C@@H]1CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC001326371578 885008214 /nfs/dbraw/zinc/00/82/14/885008214.db2.gz MSVVBALHGUDXPM-OLZOCXBDSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@H](C[NH3+])NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001326375754 885011630 /nfs/dbraw/zinc/01/16/30/885011630.db2.gz PGWMJDBQRCEBBH-BDAKNGLRSA-N 2 0 252.322 -0.720 20 0 CBADRP O=C(NCc1nc([C@@H]2CCC[NH2+]2)no1)[C@@H]1CCC[NH2+]1 ZINC001326487212 885046133 /nfs/dbraw/zinc/04/61/33/885046133.db2.gz SYFMBUFSJFWQIZ-IUCAKERBSA-N 2 0 265.317 -0.138 20 0 CBADRP C[NH+](C)CCC(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001446460737 912891682 /nfs/dbraw/zinc/89/16/82/912891682.db2.gz FDRUBLVWIOMYJS-CYBMUJFWSA-N 2 0 296.415 -0.439 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001326547120 885061962 /nfs/dbraw/zinc/06/19/62/885061962.db2.gz CFWYHYACJANZOC-SNVBAGLBSA-N 2 0 296.375 -0.763 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NC[C@H]2CCC[NH2+]2)nn1 ZINC001326783593 885143729 /nfs/dbraw/zinc/14/37/29/885143729.db2.gz IKKYKTVXXOAPAJ-SECBINFHSA-N 2 0 252.322 -0.891 20 0 CBADRP C[C@H](CO)C1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1 ZINC001326801495 885156953 /nfs/dbraw/zinc/15/69/53/885156953.db2.gz XXTYJHZTCBDEJR-GFCCVEGCSA-N 2 0 269.389 -0.241 20 0 CBADRP [NH3+][C@H](CC(F)F)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001326818201 885161355 /nfs/dbraw/zinc/16/13/55/885161355.db2.gz ZFWLEGVGXKWKJD-SNVBAGLBSA-N 2 0 279.331 -0.068 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)nn1 ZINC001326877829 885180523 /nfs/dbraw/zinc/18/05/23/885180523.db2.gz CUPYLSFFDGBVRF-PHIMTYICSA-N 2 0 278.360 -0.692 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001326886923 885182365 /nfs/dbraw/zinc/18/23/65/885182365.db2.gz VWUIYZMIJGELIL-OUAUKWLOSA-N 2 0 262.375 -0.605 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)CC[C@H]1[NH3+] ZINC001326905945 885187414 /nfs/dbraw/zinc/18/74/14/885187414.db2.gz IFNKBURSSQTDMQ-IJLUTSLNSA-N 2 0 256.394 -0.149 20 0 CBADRP [NH3+]CCOCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC001326905960 885189555 /nfs/dbraw/zinc/18/95/55/885189555.db2.gz IWYFRIWOIVWMMF-UPJWGTAASA-N 2 0 285.388 -0.151 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001327130919 885267885 /nfs/dbraw/zinc/26/78/85/885267885.db2.gz NSQOBUWJBRVUQI-TUAOUCFPSA-N 2 0 256.394 -0.278 20 0 CBADRP C[C@@H]([NH3+])C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001327179927 885277584 /nfs/dbraw/zinc/27/75/84/885277584.db2.gz BXYLOXJQYTVULG-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001327450828 885357635 /nfs/dbraw/zinc/35/76/35/885357635.db2.gz XSHFVAJCOMIDOA-JSGCOSHPSA-N 2 0 268.405 -0.133 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H](N)CC[NH+](C)C ZINC001327448278 885358452 /nfs/dbraw/zinc/35/84/52/885358452.db2.gz GPFLRXOEMJVBSZ-OLZOCXBDSA-N 2 0 285.436 -0.983 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001327450829 885358740 /nfs/dbraw/zinc/35/87/40/885358740.db2.gz XSHFVAJCOMIDOA-OCCSQVGLSA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCCC[NH3+])CC1 ZINC001327472804 885367359 /nfs/dbraw/zinc/36/73/59/885367359.db2.gz UKNDIPAFFDVPOH-UHFFFAOYSA-N 2 0 299.419 -0.375 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC001327472065 885367418 /nfs/dbraw/zinc/36/74/18/885367418.db2.gz NGHJNPHCQHIVIA-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])CC[N@@H+]1C ZINC001327501064 885380086 /nfs/dbraw/zinc/38/00/86/885380086.db2.gz RRGLJXNUAKAYMQ-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001327501403 885380319 /nfs/dbraw/zinc/38/03/19/885380319.db2.gz XKKJBAJSINLAOG-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC001327522039 885388075 /nfs/dbraw/zinc/38/80/75/885388075.db2.gz YTDHRVPEZXBYDC-IJLUTSLNSA-N 2 0 296.415 -0.158 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001327522947 885390938 /nfs/dbraw/zinc/39/09/38/885390938.db2.gz CNBIAZMMPCTSHH-MXWKQRLJSA-N 2 0 270.377 -0.833 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cn(CC[NH3+])nn2)C1 ZINC001327563452 885407343 /nfs/dbraw/zinc/40/73/43/885407343.db2.gz SBSQSVFHWALDGG-NXEZZACHSA-N 2 0 266.349 -0.564 20 0 CBADRP O=C(C[C@H]1CC[NH2+]C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001327570367 885410631 /nfs/dbraw/zinc/41/06/31/885410631.db2.gz QVIFCMUXTJZNEH-CHWSQXEVSA-N 2 0 266.389 -0.508 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC001327578687 885413605 /nfs/dbraw/zinc/41/36/05/885413605.db2.gz KQPUJNHFHXZOED-DCAQKATOSA-N 2 0 253.346 -0.392 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)c2cn(CC[NH3+])nn2)CC[NH2+]1 ZINC001327598063 885422913 /nfs/dbraw/zinc/42/29/13/885422913.db2.gz YKYJEGXPGLCQLB-IUCAKERBSA-N 2 0 252.322 -0.893 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N[C@H]2CC[NH2+]C2)nn1 ZINC001327602089 885426733 /nfs/dbraw/zinc/42/67/33/885426733.db2.gz UISGTBYQDLGEMM-VIFPVBQESA-N 2 0 252.322 -0.891 20 0 CBADRP COC[C@H](CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)OC ZINC001327628127 885435164 /nfs/dbraw/zinc/43/51/64/885435164.db2.gz ARMGDEKHXGPUTA-KBPBESRZSA-N 2 0 289.420 -0.764 20 0 CBADRP [NH3+]CCCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001327682026 885450249 /nfs/dbraw/zinc/45/02/49/885450249.db2.gz ITGRXMHCYFJDRK-STQMWFEESA-N 2 0 296.415 -0.025 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC001327829912 885490800 /nfs/dbraw/zinc/49/08/00/885490800.db2.gz OUUVQCNOHDALLQ-AXFHLTTASA-N 2 0 268.361 -0.937 20 0 CBADRP [NH3+]CCOCC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001327926711 885528888 /nfs/dbraw/zinc/52/88/88/885528888.db2.gz AYXJXFYWNPZOQV-GFCCVEGCSA-N 2 0 271.361 -0.669 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N[C@H]2C[NH2+]CCC2(F)F)=NO1 ZINC001327929532 885532156 /nfs/dbraw/zinc/53/21/56/885532156.db2.gz REDWYWYOEQLLMG-SVRRBLITSA-N 2 0 262.260 -0.797 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC001327952280 885538909 /nfs/dbraw/zinc/53/89/09/885538909.db2.gz REDBTQZRIQWNJU-OLZOCXBDSA-N 2 0 257.378 -0.637 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]CCO)CC2)C1 ZINC001328049519 885561840 /nfs/dbraw/zinc/56/18/40/885561840.db2.gz HSXQHCMVYJOWGA-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP O=C(C1CC[NH2+]CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001328203814 885598606 /nfs/dbraw/zinc/59/86/06/885598606.db2.gz TWBKUYSVKFESRB-CYBMUJFWSA-N 2 0 266.389 -0.508 20 0 CBADRP CC[C@@H](C(=O)N1CCC(O)(C[NH2+]CCO)CC1)[NH+](C)C ZINC001328206963 885601481 /nfs/dbraw/zinc/60/14/81/885601481.db2.gz FHAMBHFYFKDXFL-LBPRGKRZSA-N 2 0 287.404 -0.738 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001328334002 885639107 /nfs/dbraw/zinc/63/91/07/885639107.db2.gz YZQMQPHDAPXWEQ-GMTAPVOTSA-N 2 0 268.361 -0.902 20 0 CBADRP CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001446800998 912956908 /nfs/dbraw/zinc/95/69/08/912956908.db2.gz ZVIXTNQVVUTQRX-DZGCQCFKSA-N 2 0 299.415 -0.330 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001328353817 885650747 /nfs/dbraw/zinc/65/07/47/885650747.db2.gz LFJYZNGLZOECPQ-UHFFFAOYSA-N 2 0 282.388 -0.463 20 0 CBADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001328401414 885672534 /nfs/dbraw/zinc/67/25/34/885672534.db2.gz YIVBGPBINVSQDM-OLZOCXBDSA-N 3 0 268.405 -0.275 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC001328436738 885683466 /nfs/dbraw/zinc/68/34/66/885683466.db2.gz LWLSZTDEPJWRSE-DLOVCJGASA-N 2 0 255.362 -0.064 20 0 CBADRP [NH3+]Cc1ccccc1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001328438388 885686676 /nfs/dbraw/zinc/68/66/76/885686676.db2.gz WVOHTNVYZURUMY-LLVKDONJSA-N 2 0 262.313 -0.135 20 0 CBADRP C[NH+](C)C1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001328453984 885692689 /nfs/dbraw/zinc/69/26/89/885692689.db2.gz AJRVQVJQOCKKNF-VXGBXAGGSA-N 2 0 255.362 -0.097 20 0 CBADRP C[NH2+]CCCC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001328456686 885693757 /nfs/dbraw/zinc/69/37/57/885693757.db2.gz ZGQMTUOZPCKWBB-UHFFFAOYSA-N 2 0 253.306 -0.743 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)c1ccc(C[NH3+])o1 ZINC001328477100 885698967 /nfs/dbraw/zinc/69/89/67/885698967.db2.gz FBFMSFFBNIPHTD-UHFFFAOYSA-N 2 0 266.345 -0.285 20 0 CBADRP C[C@H](CCC[NH3+])NC(=O)c1cn(CCCC[NH3+])nn1 ZINC001328504521 885710032 /nfs/dbraw/zinc/71/00/32/885710032.db2.gz NXBLCNWNTRLMNT-SNVBAGLBSA-N 2 0 268.365 -0.126 20 0 CBADRP COC1(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC[NH2+]CC1 ZINC001328524892 885716094 /nfs/dbraw/zinc/71/60/94/885716094.db2.gz MRWBTGGZAWRORE-GHMZBOCLSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)[C@@H]1CC[NH3+] ZINC001328728856 885794007 /nfs/dbraw/zinc/79/40/07/885794007.db2.gz ALAFZLHQOWZLPM-CHWSQXEVSA-N 3 0 268.405 -0.133 20 0 CBADRP COCC[NH2+]CC1CC(NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001328841058 885826868 /nfs/dbraw/zinc/82/68/68/885826868.db2.gz IPGYSLIGLNFFHU-WXRRBKDZSA-N 2 0 285.388 -0.552 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001446938663 912981881 /nfs/dbraw/zinc/98/18/81/912981881.db2.gz NKTSDICERDCAIY-AAEUAGOBSA-N 2 0 296.415 -0.360 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC001328845743 885830188 /nfs/dbraw/zinc/83/01/88/885830188.db2.gz DMZOMQDYWJWTKZ-NEPJUHHUSA-N 2 0 267.373 -0.171 20 0 CBADRP C[C@@H]([NH2+]CCO)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001446937353 912982001 /nfs/dbraw/zinc/98/20/01/912982001.db2.gz CSDFJSUNDOSEAH-CHWSQXEVSA-N 2 0 281.400 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CCCO)C1 ZINC001328898464 885843550 /nfs/dbraw/zinc/84/35/50/885843550.db2.gz WMDXOLLYIHEDBH-WXRRBKDZSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001446938668 912981654 /nfs/dbraw/zinc/98/16/54/912981654.db2.gz NKTSDICERDCAIY-WCQYABFASA-N 2 0 296.415 -0.360 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)NCCCC[NH3+])C[C@H]2[NH3+])cn1 ZINC001329129039 885942228 /nfs/dbraw/zinc/94/22/28/885942228.db2.gz ZCAMMJDUQLBQKU-NWDGAFQWSA-N 2 0 280.376 -0.405 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCn2cccn2)CC1 ZINC001329135005 885945106 /nfs/dbraw/zinc/94/51/06/885945106.db2.gz PTDHENSMFXTZEY-CQSZACIVSA-N 2 0 281.404 -0.529 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)c2cn(CCC[NH3+])nn2)C1 ZINC001329259819 885984394 /nfs/dbraw/zinc/98/43/94/885984394.db2.gz QJYLREGVAKIUSS-VIFPVBQESA-N 2 0 252.322 -0.939 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001329253905 885986225 /nfs/dbraw/zinc/98/62/25/885986225.db2.gz PFMVNNBCHYXCSH-CYBMUJFWSA-N 2 0 286.420 -0.506 20 0 CBADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC001329480959 886087617 /nfs/dbraw/zinc/08/76/17/886087617.db2.gz KTUZIIWFZGJFTK-IJLUTSLNSA-N 2 0 282.388 -0.594 20 0 CBADRP CC[C@]1(C(=O)N2CCCO[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC001329499162 886096557 /nfs/dbraw/zinc/09/65/57/886096557.db2.gz QOYXBCVJWQXMHU-YPMHNXCESA-N 2 0 255.362 -0.048 20 0 CBADRP Cn1ccnc1N1CCC(NC(=O)CC[NH3+])CC1 ZINC001329499329 886097378 /nfs/dbraw/zinc/09/73/78/886097378.db2.gz SJOMSGNUCWEATQ-UHFFFAOYSA-N 2 0 251.334 -0.146 20 0 CBADRP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CCN1C ZINC001329504410 886100840 /nfs/dbraw/zinc/10/08/40/886100840.db2.gz IHSKCZDKVUFGEN-RWMBFGLXSA-N 2 0 296.415 -0.267 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)C[NH3+] ZINC001329569942 886127629 /nfs/dbraw/zinc/12/76/29/886127629.db2.gz PUGMGCCYLMLIEU-VHSXEESVSA-N 2 0 256.350 -0.950 20 0 CBADRP C[NH2+]CCOCC[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC001329591247 886133764 /nfs/dbraw/zinc/13/37/64/886133764.db2.gz ZDQCAAOFPWORMS-UHFFFAOYSA-N 2 0 279.406 -0.764 20 0 CBADRP COCC1(CNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC[NH2+]CC1 ZINC001329704475 886181544 /nfs/dbraw/zinc/18/15/44/886181544.db2.gz VQPVBEUGGFFKNE-SDDRHHMPSA-N 2 0 267.373 -0.273 20 0 CBADRP [NH3+]C[C@@H]1CN(CCN2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC001329702293 886182771 /nfs/dbraw/zinc/18/27/71/886182771.db2.gz PABXPKCQKWQBTI-GHMZBOCLSA-N 2 0 280.338 -0.039 20 0 CBADRP C[NH+]1CCN(CCCS(=O)(=O)NCCCC[NH3+])CC1 ZINC001329755896 886199250 /nfs/dbraw/zinc/19/92/50/886199250.db2.gz WFJBTVCGCKRFPH-UHFFFAOYSA-N 2 0 292.449 -0.718 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001329838259 886233599 /nfs/dbraw/zinc/23/35/99/886233599.db2.gz OLCQNRJJJNQEIN-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001447099599 913021786 /nfs/dbraw/zinc/02/17/86/913021786.db2.gz LQYSEPQLFZLDSX-UHFFFAOYSA-N 2 0 296.415 -0.264 20 0 CBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC001329936836 886287812 /nfs/dbraw/zinc/28/78/12/886287812.db2.gz IGIBTCBFWZXNAH-WDEREUQCSA-N 2 0 253.346 -0.295 20 0 CBADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC001330187025 886384361 /nfs/dbraw/zinc/38/43/61/886384361.db2.gz WGJVNBXEKAXKCC-RNJOBUHISA-N 2 0 257.378 -0.605 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001330518405 886465177 /nfs/dbraw/zinc/46/51/77/886465177.db2.gz AAWQCQLVEDHFLL-TUAOUCFPSA-N 2 0 284.404 -0.301 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001330600775 886495659 /nfs/dbraw/zinc/49/56/59/886495659.db2.gz AJTLJKIIUTYMFQ-JTQLQIEISA-N 2 0 263.345 -0.107 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001330603758 886498856 /nfs/dbraw/zinc/49/88/56/886498856.db2.gz VRWJEEZSLNUHQK-XYZCENFISA-N 2 0 261.391 -0.659 20 0 CBADRP CCC[NH2+]CCNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC001330616375 886505540 /nfs/dbraw/zinc/50/55/40/886505540.db2.gz VAKYSJSCAYARNK-LBPRGKRZSA-N 2 0 259.350 -0.893 20 0 CBADRP CC1(C)CC[C@@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)[NH2+]C1 ZINC001330625761 886507428 /nfs/dbraw/zinc/50/74/28/886507428.db2.gz UEOIUCUQPXMLFO-VHSXEESVSA-N 2 0 268.361 -0.016 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)CC1 ZINC001330624997 886507491 /nfs/dbraw/zinc/50/74/91/886507491.db2.gz BRLABSDXOWTHNH-AAOUONPWSA-N 2 0 267.373 -0.146 20 0 CBADRP [NH3+]C1(CNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CCOCC1 ZINC001330627537 886512283 /nfs/dbraw/zinc/51/22/83/886512283.db2.gz VNQAFRRVTLOQOX-UWVGGRQHSA-N 2 0 259.325 -0.442 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cnc(C[NH3+])nc1)C2 ZINC001330641558 886515468 /nfs/dbraw/zinc/51/54/68/886515468.db2.gz WQFKJTORRSJTFV-GXFFZTMASA-N 2 0 261.329 -0.383 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001330647181 886515606 /nfs/dbraw/zinc/51/56/06/886515606.db2.gz CKBYZUFXYVOFNP-GFCCVEGCSA-N 2 0 268.405 -0.038 20 0 CBADRP Cn1cncc1CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001330832678 886587649 /nfs/dbraw/zinc/58/76/49/886587649.db2.gz RXXRGXMTNQJUJA-CQSZACIVSA-N 2 0 263.389 -0.058 20 0 CBADRP CNC(=O)C[N@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001447358089 913061268 /nfs/dbraw/zinc/06/12/68/913061268.db2.gz YLSHMLOTZUDGRQ-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001330880165 886612535 /nfs/dbraw/zinc/61/25/35/886612535.db2.gz PRFATFZXVASAHE-LLVKDONJSA-N 2 0 255.362 -0.048 20 0 CBADRP CN(CCC[N@H+](C)CC(N)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001447350759 913065189 /nfs/dbraw/zinc/06/51/89/913065189.db2.gz URISKLQRDRHXAT-UHFFFAOYSA-N 2 0 284.404 -0.406 20 0 CBADRP [NH3+]CCC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001331057106 886660425 /nfs/dbraw/zinc/66/04/25/886660425.db2.gz CQNVGUMOAYVPFX-GFCCVEGCSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+][C@@H](C(=O)NC[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC001331058239 886663325 /nfs/dbraw/zinc/66/33/25/886663325.db2.gz MVNGOKGDUGWTJX-NWDGAFQWSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2ccnn2)CC[N@@H+]1C ZINC001331075819 886668549 /nfs/dbraw/zinc/66/85/49/886668549.db2.gz WTTRPBSQLKGQPE-IJLUTSLNSA-N 2 0 253.350 -0.289 20 0 CBADRP C[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001331141234 886692471 /nfs/dbraw/zinc/69/24/71/886692471.db2.gz RDTBUMDGKBARQQ-BETUJISGSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C(C)(C)C[NH+](C)C ZINC001331150290 886695332 /nfs/dbraw/zinc/69/53/32/886695332.db2.gz REVAEHSIHOJYHT-SRVKXCTJSA-N 2 0 298.431 -0.068 20 0 CBADRP C[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001331168301 886707113 /nfs/dbraw/zinc/70/71/13/886707113.db2.gz RDTBUMDGKBARQQ-JOCQHMNTSA-N 2 0 296.415 -0.312 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC001331219450 886735024 /nfs/dbraw/zinc/73/50/24/886735024.db2.gz IPTIUCLNCVOBBL-FRRDWIJNSA-N 2 0 294.399 -0.463 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001331323244 886777102 /nfs/dbraw/zinc/77/71/02/886777102.db2.gz ZOOHFUDUPOLWPA-LBPRGKRZSA-N 2 0 272.393 -0.896 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001331406934 886795825 /nfs/dbraw/zinc/79/58/25/886795825.db2.gz PICCISDWSISZES-VHSXEESVSA-N 2 0 256.350 -0.998 20 0 CBADRP [NH3+][C@H]1CCC[C@H](NC(=O)NCCCN2CC[NH2+]CC2)C1 ZINC001331422897 886799038 /nfs/dbraw/zinc/79/90/38/886799038.db2.gz SZCWLDHAPBAPED-STQMWFEESA-N 2 0 283.420 -0.149 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)NCCN1CC[NH2+]CC1 ZINC001331421434 886801038 /nfs/dbraw/zinc/80/10/38/886801038.db2.gz HNKIGJLAEBTVGK-LLVKDONJSA-N 2 0 255.366 -0.976 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001331549926 886838645 /nfs/dbraw/zinc/83/86/45/886838645.db2.gz BFZAKNDOQPNFGI-HAQNSBGRSA-N 2 0 296.415 -0.171 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)NCC1([NH3+])CCOCC1 ZINC001331567892 886849054 /nfs/dbraw/zinc/84/90/54/886849054.db2.gz DFRZUEGLFXWXDM-UHFFFAOYSA-N 2 0 268.361 -0.373 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC001331572988 886849619 /nfs/dbraw/zinc/84/96/19/886849619.db2.gz WAFPJSGSRUGACV-VXGBXAGGSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[NH+]1CCC(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC001331573561 886852502 /nfs/dbraw/zinc/85/25/02/886852502.db2.gz WORNLURTQLVANX-STQMWFEESA-N 2 0 294.399 -0.593 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331670285 886897077 /nfs/dbraw/zinc/89/70/77/886897077.db2.gz VCDTUCSUVQORRR-SRVKXCTJSA-N 2 0 296.415 -0.171 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001331707716 886923397 /nfs/dbraw/zinc/92/33/97/886923397.db2.gz NVQKWTOFDLHDSB-ONGXEEELSA-N 2 0 263.345 -0.297 20 0 CBADRP COCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001331712373 886926958 /nfs/dbraw/zinc/92/69/58/886926958.db2.gz OBTQBULNFYFLGR-STQMWFEESA-N 2 0 287.404 -0.428 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC(C)([NH2+]CC(N)=O)CC1 ZINC001447571075 913096014 /nfs/dbraw/zinc/09/60/14/913096014.db2.gz ROBPVXRJNKYCIA-UHFFFAOYSA-N 2 0 284.404 -0.217 20 0 CBADRP CCCC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001331835168 887006373 /nfs/dbraw/zinc/00/63/73/887006373.db2.gz LFDNHMQTPONTGX-RYUDHWBXSA-N 2 0 257.378 -0.195 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331857874 887016914 /nfs/dbraw/zinc/01/69/14/887016914.db2.gz NRVDMRPZWHYRCV-TUAOUCFPSA-N 2 0 269.393 -0.731 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC001331969358 887067569 /nfs/dbraw/zinc/06/75/69/887067569.db2.gz OIJBIOSGYFZQIE-RQJHMYQMSA-N 2 0 257.256 -0.254 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC001331914453 887040843 /nfs/dbraw/zinc/04/08/43/887040843.db2.gz JJTQQFQSEOAYMF-BDAKNGLRSA-N 2 0 262.304 -0.026 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC001331948439 887058268 /nfs/dbraw/zinc/05/82/68/887058268.db2.gz LOXUNCCZFAIZSP-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP Cc1nnc(CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)s1 ZINC001331969705 887071187 /nfs/dbraw/zinc/07/11/87/887071187.db2.gz DPKOMJPKUSSHQG-GFCCVEGCSA-N 2 0 299.444 -0.413 20 0 CBADRP [NH3+][C@H](CC(F)F)CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001331979942 887074681 /nfs/dbraw/zinc/07/46/81/887074681.db2.gz FLMMRVCXHFLJNI-MNOVXSKESA-N 2 0 262.348 -0.052 20 0 CBADRP C[NH+](C)CCn1cc(CC2(O)CC[NH2+]CC2)nn1 ZINC001332022265 887083407 /nfs/dbraw/zinc/08/34/07/887083407.db2.gz HJEZGWXUUFSTSF-UHFFFAOYSA-N 2 0 253.350 -0.503 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001332128965 887124649 /nfs/dbraw/zinc/12/46/49/887124649.db2.gz VLPOAGAJLAAHJE-UPJWGTAASA-N 2 0 294.399 -0.641 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)nn1 ZINC001332152308 887132970 /nfs/dbraw/zinc/13/29/70/887132970.db2.gz OCSGMJXEVPMFGA-AWEZNQCLSA-N 2 0 292.387 -0.157 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC001332190329 887147726 /nfs/dbraw/zinc/14/77/26/887147726.db2.gz WTIYTGNLSRSWHC-GUBZILKMSA-N 2 0 263.345 -0.046 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NCCC(C)(C)[NH3+])C1CC1 ZINC001332268457 887177908 /nfs/dbraw/zinc/17/79/08/887177908.db2.gz XSAUEOHJNJIXKO-UHFFFAOYSA-N 2 0 270.377 -0.560 20 0 CBADRP [NH3+]CCCOC1CCN(C(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001332287801 887184144 /nfs/dbraw/zinc/18/41/44/887184144.db2.gz LFLDVXWCVWRKPP-WCFLWFBJSA-N 2 0 267.373 -0.049 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)C1 ZINC001332292728 887186709 /nfs/dbraw/zinc/18/67/09/887186709.db2.gz SVQIUFQPJFDLMA-FIQHERPVSA-N 2 0 253.346 -0.569 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)C1 ZINC001332333502 887209353 /nfs/dbraw/zinc/20/93/53/887209353.db2.gz CBUFNOLOXZGZDF-SVNGYHJRSA-N 2 0 253.346 -0.563 20 0 CBADRP [NH3+]C[C@H]1CC[N@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC001332365435 887233566 /nfs/dbraw/zinc/23/35/66/887233566.db2.gz SLOQNPNSKGBWLM-VXGBXAGGSA-N 2 0 258.362 -0.177 20 0 CBADRP OC1(Cc2cn(C[C@@H]3CCC[NH2+]3)nn2)CC[NH2+]CC1 ZINC001332376674 887240023 /nfs/dbraw/zinc/24/00/23/887240023.db2.gz KKHKDMQASZNGTL-NSHDSACASA-N 2 0 265.361 -0.313 20 0 CBADRP C[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)C1C[NH2+]C1 ZINC001332395207 887258512 /nfs/dbraw/zinc/25/85/12/887258512.db2.gz GCKHIMSQNADJQS-BXKDBHETSA-N 2 0 255.318 -0.595 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)c1cn(CCC[NH3+])nn1 ZINC001332452450 887288962 /nfs/dbraw/zinc/28/89/62/887288962.db2.gz WQELPSQDYYBGNQ-IUCAKERBSA-N 2 0 254.338 -0.518 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+][C@H](C)C(N)=O)C1 ZINC001447822844 913133354 /nfs/dbraw/zinc/13/33/54/913133354.db2.gz KIQFASNZBIGZTD-VOMCLLRMSA-N 2 0 284.404 -0.315 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN(CCOCC[NH3+])CC2)C1 ZINC001332520933 887336487 /nfs/dbraw/zinc/33/64/87/887336487.db2.gz WXZGBTQGFJNZBL-CQSZACIVSA-N 2 0 270.421 -0.327 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001332521155 887337519 /nfs/dbraw/zinc/33/75/19/887337519.db2.gz OGCZFDLNSIJKBQ-TXEJJXNPSA-N 2 0 272.393 -0.009 20 0 CBADRP C[NH2+]CCNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001332531548 887343202 /nfs/dbraw/zinc/34/32/02/887343202.db2.gz FWOBKFPGAZYWLN-MRVPVSSYSA-N 2 0 250.293 -0.250 20 0 CBADRP COCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001332602317 887371983 /nfs/dbraw/zinc/37/19/83/887371983.db2.gz OSSWNEMPCBNTTO-HIFRSBDPSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001332671945 887400716 /nfs/dbraw/zinc/40/07/16/887400716.db2.gz FWMSJHXVLHFDKT-SNVBAGLBSA-N 2 0 296.375 -0.811 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC(C)(C)[NH3+])cn1 ZINC001332673010 887401269 /nfs/dbraw/zinc/40/12/69/887401269.db2.gz PNZPTOSOWTWANK-UHFFFAOYSA-N 2 0 296.375 -0.763 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC001332690284 887406086 /nfs/dbraw/zinc/40/60/86/887406086.db2.gz HTZOBVHVUXJRSH-GFCCVEGCSA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC2(C[NH3+])CC2)CC[N@@H+]1C ZINC001332694794 887408116 /nfs/dbraw/zinc/40/81/16/887408116.db2.gz YQWSENJZMDUWDO-VXGBXAGGSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC001332722357 887418524 /nfs/dbraw/zinc/41/85/24/887418524.db2.gz CUXYGUBUUUGANX-VXGBXAGGSA-N 2 0 256.394 -0.277 20 0 CBADRP [NH3+]CC(C[NH3+])NCC(=O)N1CCc2ccccc2C1 ZINC001332816219 887437606 /nfs/dbraw/zinc/43/76/06/887437606.db2.gz QSMNLUMGEGLNDL-UHFFFAOYSA-N 2 0 262.357 -0.553 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001447860951 913149845 /nfs/dbraw/zinc/14/98/45/913149845.db2.gz BXYFXGMZJHOKQQ-WDEREUQCSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC001332944314 887484211 /nfs/dbraw/zinc/48/42/11/887484211.db2.gz CVHRBVRXJZAABR-WUHRBBMRSA-N 2 0 296.415 -0.362 20 0 CBADRP [NH3+]CCCOC1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC001332960607 887489749 /nfs/dbraw/zinc/48/97/49/887489749.db2.gz IXRFZWHFEHVMBO-UHFFFAOYSA-N 2 0 284.404 -0.752 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001332975768 887492592 /nfs/dbraw/zinc/49/25/92/887492592.db2.gz KVASJLOYNIZKTM-HUTHGQBESA-N 2 0 261.391 -0.789 20 0 CBADRP CC[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC[NH2+]C1 ZINC001332977260 887493052 /nfs/dbraw/zinc/49/30/52/887493052.db2.gz ZIXRSDCOOFHYQQ-SWLSCSKDSA-N 2 0 296.415 -0.168 20 0 CBADRP CC[C@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC[NH2+]C1 ZINC001332977261 887493238 /nfs/dbraw/zinc/49/32/38/887493238.db2.gz ZIXRSDCOOFHYQQ-WFASDCNBSA-N 2 0 296.415 -0.168 20 0 CBADRP C[NH2+]CCOCCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001332981165 887495305 /nfs/dbraw/zinc/49/53/05/887495305.db2.gz LGJYWJSTSZCCEJ-UHFFFAOYSA-N 2 0 296.375 -0.832 20 0 CBADRP COCC[C@H]([NH3+])C(=O)NCc1cnc(N(C)C)n1C ZINC001333177585 887552353 /nfs/dbraw/zinc/55/23/53/887552353.db2.gz FKBIJPRHUUETQQ-JTQLQIEISA-N 2 0 269.349 -0.534 20 0 CBADRP C[C@@H]([NH2+]CC(=O)N1CCC1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001447908194 913161606 /nfs/dbraw/zinc/16/16/06/913161606.db2.gz SRRWIHBQYWZCNK-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001333360072 887610669 /nfs/dbraw/zinc/61/06/69/887610669.db2.gz GSGAWBGWSICPIG-PHIMTYICSA-N 2 0 282.388 -0.560 20 0 CBADRP CCN(C(=O)C(=O)NC1CC[NH+](CC)CC1)[C@@H]1CC[NH2+]C1 ZINC001333360565 887610909 /nfs/dbraw/zinc/61/09/09/887610909.db2.gz JYPYVIYSGCCLJD-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001447908205 913163146 /nfs/dbraw/zinc/16/31/46/913163146.db2.gz SRRWIHBQYWZCNK-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC001333397697 887621828 /nfs/dbraw/zinc/62/18/28/887621828.db2.gz MNBRRZMDUYPPRW-NXEZZACHSA-N 2 0 268.361 -0.855 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC001333397700 887622138 /nfs/dbraw/zinc/62/21/38/887622138.db2.gz MNBRRZMDUYPPRW-ZJUUUORDSA-N 2 0 268.361 -0.855 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001333404376 887625333 /nfs/dbraw/zinc/62/53/33/887625333.db2.gz NNQALUKPXRKXRN-GRYCIOLGSA-N 2 0 292.383 -0.698 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333447941 887641300 /nfs/dbraw/zinc/64/13/00/887641300.db2.gz IYQUYTLZOFZDGD-RWMBFGLXSA-N 2 0 296.415 -0.360 20 0 CBADRP CCN(C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)[C@H]1CC[NH2+]C1 ZINC001333473762 887653889 /nfs/dbraw/zinc/65/38/89/887653889.db2.gz BAEPBPCCCAFLNI-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH2+]CCC[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001333530091 887676099 /nfs/dbraw/zinc/67/60/99/887676099.db2.gz RJCDXWXRHJZAQG-LLVKDONJSA-N 2 0 255.362 -0.441 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@H](N3CCOC3=O)C2)C1 ZINC001333530176 887677043 /nfs/dbraw/zinc/67/70/43/887677043.db2.gz VHRNNOGKTXVHJO-VLEAKVRGSA-N 2 0 255.318 -0.637 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001333638393 887731394 /nfs/dbraw/zinc/73/13/94/887731394.db2.gz DBNBBYVGWHMRQX-HAQNSBGRSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](C[NH3+])C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001333656602 887737325 /nfs/dbraw/zinc/73/73/25/887737325.db2.gz GUIXUJNWHNLCTE-SECBINFHSA-N 2 0 264.333 -0.581 20 0 CBADRP CC1(C)[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)[C@H]2CCC[NH2+][C@H]21 ZINC001333664373 887740759 /nfs/dbraw/zinc/74/07/59/887740759.db2.gz IAHNPGADXPFXFE-NNYUYHANSA-N 2 0 267.373 -0.132 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1CCCC1 ZINC001333960059 887821485 /nfs/dbraw/zinc/82/14/85/887821485.db2.gz SNPHEXLNGJUOJT-TXEJJXNPSA-N 2 0 296.415 -0.170 20 0 CBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001334004726 887840720 /nfs/dbraw/zinc/84/07/20/887840720.db2.gz BYXYBIWMIDCTCJ-HAQNSBGRSA-N 2 0 296.415 -0.171 20 0 CBADRP COC(=O)[C@H](NC(C[NH3+])C[NH3+])c1ccc(F)cc1 ZINC001334339737 887927806 /nfs/dbraw/zinc/92/78/06/887927806.db2.gz ZBSMQVHXHCGQRS-LLVKDONJSA-N 2 0 255.293 -0.085 20 0 CBADRP COC(=O)[C@@H](NC(C[NH3+])C[NH3+])c1ccc(F)cc1 ZINC001334339738 887928309 /nfs/dbraw/zinc/92/83/09/887928309.db2.gz ZBSMQVHXHCGQRS-NSHDSACASA-N 2 0 255.293 -0.085 20 0 CBADRP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CC[NH2+]CC[NH2+]CC1 ZINC001334763971 888317997 /nfs/dbraw/zinc/31/79/97/888317997.db2.gz VCNPSFISGOUCJY-ZIAGYGMSSA-N 3 0 268.405 -0.750 20 0 CBADRP C[NH+]1CCC(NCc2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC001335146138 888425447 /nfs/dbraw/zinc/42/54/47/888425447.db2.gz GQPFTILWRFUHRC-ZDUSSCGKSA-N 2 0 264.377 -0.004 20 0 CBADRP COCc1noc(CN2CC[NH2+]CC[NH2+]CC2)n1 ZINC001335181531 888434376 /nfs/dbraw/zinc/43/43/76/888434376.db2.gz QFQJNMRPKKFOMO-UHFFFAOYSA-N 2 0 255.322 -0.789 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)C[C@H]1[NH3+] ZINC001335205788 888446093 /nfs/dbraw/zinc/44/60/93/888446093.db2.gz CQIYDTSBCCSNHG-NDBYEHHHSA-N 2 0 296.415 -0.219 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001335235806 888461143 /nfs/dbraw/zinc/46/11/43/888461143.db2.gz ZNOHVRMPDAOINI-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001335257280 888474157 /nfs/dbraw/zinc/47/41/57/888474157.db2.gz UWMOHPYPUVRXSR-NSHDSACASA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001335264929 888476296 /nfs/dbraw/zinc/47/62/96/888476296.db2.gz OUXHNVPXBYOTOV-RYUDHWBXSA-N 2 0 282.388 -0.748 20 0 CBADRP C[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC001335264215 888477041 /nfs/dbraw/zinc/47/70/41/888477041.db2.gz KGKOHEODVUTLPH-UTUOFQBUSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)NCCCN2CC[NH2+]CC2)CCOCC1 ZINC001335265787 888477262 /nfs/dbraw/zinc/47/72/62/888477262.db2.gz SRKMXJSNWUTFSW-CYBMUJFWSA-N 2 0 298.431 -0.458 20 0 CBADRP [NH3+][C@H]1C[C@@H](C[NH2+]CC[C@@H]2CNCCS2(=O)=O)C1 ZINC001335289553 888486584 /nfs/dbraw/zinc/48/65/84/888486584.db2.gz OMPISZPYZRQVAG-OUAUKWLOSA-N 2 0 261.391 -0.910 20 0 CBADRP [NH3+]CCCOC1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001335309089 888495905 /nfs/dbraw/zinc/49/59/05/888495905.db2.gz QNHNXBCZZOKOSF-HNNXBMFYSA-N 2 0 299.415 -0.153 20 0 CBADRP CCOC[C@@H](O)C[NH2+]CCN1CC[NH+](CC)CC1 ZINC001335351515 888511074 /nfs/dbraw/zinc/51/10/74/888511074.db2.gz OQMOLADIPLFTBT-ZDUSSCGKSA-N 2 0 259.394 -0.389 20 0 CBADRP C[N@H+](C[C@H](O)CN[C@H]1CCCCNC1=O)C1CC1 ZINC001335350386 888511192 /nfs/dbraw/zinc/51/11/92/888511192.db2.gz DVOBEXWDUQDJLN-NEPJUHHUSA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@@H](C[C@@H]1COCC[NH2+]1)NCC1([NH3+])CCOCC1 ZINC001335384235 888519395 /nfs/dbraw/zinc/51/93/95/888519395.db2.gz ZIWNZJAAJSZMJG-NWDGAFQWSA-N 2 0 257.378 -0.149 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCNCC[NH2+]CC1 ZINC001335384257 888519679 /nfs/dbraw/zinc/51/96/79/888519679.db2.gz MMLXFKXRKWAILG-UONOGXRCSA-N 2 0 295.431 -0.182 20 0 CBADRP C[C@@H](C[NH2+]CCN(C)CCC[NH+](C)C)S(C)(=O)=O ZINC001335397235 888523965 /nfs/dbraw/zinc/52/39/65/888523965.db2.gz NTYNJDXDXSXUQR-LBPRGKRZSA-N 2 0 279.450 -0.107 20 0 CBADRP C[NH+]1CCC(O)(C[NH2+]C[C@@H](O)C2(O)CCC2)CC1 ZINC001335397002 888523982 /nfs/dbraw/zinc/52/39/82/888523982.db2.gz BMHXDUNIZXRCST-LLVKDONJSA-N 2 0 258.362 -0.691 20 0 CBADRP C[C@H](CNC(=O)N1CCNCC[NH2+]CC1)[N@H+](C)C1CC1 ZINC001335413078 888525808 /nfs/dbraw/zinc/52/58/08/888525808.db2.gz LVIFVFUBAPWSMF-GFCCVEGCSA-N 2 0 283.420 -0.327 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC[C@H](O)C1(O)CCCC1 ZINC001335461255 888538190 /nfs/dbraw/zinc/53/81/90/888538190.db2.gz VEHKETAOFRCAAI-RYUDHWBXSA-N 2 0 260.378 -0.445 20 0 CBADRP C[NH2+]CCCNC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001335536863 888560644 /nfs/dbraw/zinc/56/06/44/888560644.db2.gz IWSTTWJWQWFNDO-LLVKDONJSA-N 2 0 298.387 -0.420 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001335558431 888562920 /nfs/dbraw/zinc/56/29/20/888562920.db2.gz SVNXLEOKCWRGSS-QWHCGFSZSA-N 2 0 284.404 -0.185 20 0 CBADRP [NH3+]C[C@H](NC(=O)NCCN1CCC([NH3+])CC1)C1CC1 ZINC001335586929 888574084 /nfs/dbraw/zinc/57/40/84/888574084.db2.gz FNGWPJMXZKXCTO-LBPRGKRZSA-N 2 0 269.393 -0.554 20 0 CBADRP [NH3+]C1CC2(C1)CC(NC(=O)NC[C@@H]1COCC[NH2+]1)C2 ZINC001335593644 888575550 /nfs/dbraw/zinc/57/55/50/888575550.db2.gz WVTRNJIKDNEABY-XPOXDWOYSA-N 2 0 268.361 -0.456 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)NCC1=CC[NH2+]CC1 ZINC001335595318 888575819 /nfs/dbraw/zinc/57/58/19/888575819.db2.gz HEOKHRFEWDRADH-CYBMUJFWSA-N 2 0 282.388 -0.074 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC001335595646 888576916 /nfs/dbraw/zinc/57/69/16/888576916.db2.gz KKGNOOSKZCGHNB-MNOVXSKESA-N 2 0 258.366 -0.256 20 0 CBADRP CCO[C@@H](CNC(=O)NC[C@H]([NH3+])CC)C[NH+](C)C ZINC001335595208 888577643 /nfs/dbraw/zinc/57/76/43/888577643.db2.gz GEOQMTGKIXEACA-MNOVXSKESA-N 2 0 260.382 -0.010 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001335603108 888578894 /nfs/dbraw/zinc/57/88/94/888578894.db2.gz IPKASTUGAWDXPG-TUAOUCFPSA-N 2 0 268.361 -0.774 20 0 CBADRP C[C@@H]1CN(C(=O)NCCOCCC[NH3+])CC[C@@H]1C[NH3+] ZINC001335617001 888583224 /nfs/dbraw/zinc/58/32/24/888583224.db2.gz DFWHXCBGMQOSNT-VXGBXAGGSA-N 2 0 272.393 -0.022 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2C[C@H](C[NH3+])C2)CCO1 ZINC001335696686 888605012 /nfs/dbraw/zinc/60/50/12/888605012.db2.gz PYNZZDBPAXGDHK-NAKRPEOUSA-N 2 0 256.350 -0.519 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCCO1 ZINC001335707811 888608829 /nfs/dbraw/zinc/60/88/29/888608829.db2.gz ZJHPRUXELNOCHT-WISYIIOYSA-N 2 0 268.361 -0.362 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCC[NH3+])C[C@@H]2C1 ZINC001335778506 888626313 /nfs/dbraw/zinc/62/63/13/888626313.db2.gz RGFUHLAHSZXXPC-GRYCIOLGSA-N 2 0 282.388 -0.750 20 0 CBADRP C[NH2+]CCCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001335789332 888629356 /nfs/dbraw/zinc/62/93/56/888629356.db2.gz TXRIOFGVZGJJSL-UTUOFQBUSA-N 2 0 296.371 -0.621 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001335842426 888643270 /nfs/dbraw/zinc/64/32/70/888643270.db2.gz BKRGBBGRAGTHHS-ZDUSSCGKSA-N 2 0 296.415 -0.834 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)N2CCC[NH2+]CC2)n1 ZINC001335846497 888645432 /nfs/dbraw/zinc/64/54/32/888645432.db2.gz RLNBMCSFSPGZGU-UHFFFAOYSA-N 2 0 251.334 -0.333 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001336124070 888701333 /nfs/dbraw/zinc/70/13/33/888701333.db2.gz IKHJBKAQBNGNQR-SNVBAGLBSA-N 2 0 258.366 -0.270 20 0 CBADRP [NH3+]CC1(O)CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC001336093224 888692339 /nfs/dbraw/zinc/69/23/39/888692339.db2.gz FUODFLIYQOZAFA-OLZOCXBDSA-N 3 0 269.389 -0.459 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001336162306 888710399 /nfs/dbraw/zinc/71/03/99/888710399.db2.gz DANNNOLMPMIQKN-LSCVPOLPSA-N 2 0 252.362 -0.155 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC001336278583 888734868 /nfs/dbraw/zinc/73/48/68/888734868.db2.gz WDQDOESZRYYOEW-LBPRGKRZSA-N 2 0 258.362 -0.162 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC001336658856 888835853 /nfs/dbraw/zinc/83/58/53/888835853.db2.gz LPWCSKQOMRFXDQ-GRYCIOLGSA-N 2 0 254.378 -0.476 20 0 CBADRP C[C@@]1(C(=O)N2CCC(OCCC[NH3+])CC2)C[C@@H](O)C[NH2+]1 ZINC001336661974 888836779 /nfs/dbraw/zinc/83/67/79/888836779.db2.gz YXXDKHZKYLSKDZ-RISCZKNCSA-N 2 0 285.388 -0.544 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001336688226 888845942 /nfs/dbraw/zinc/84/59/42/888845942.db2.gz WLECODWLCOPWFT-MFKMUULPSA-N 2 0 268.361 -0.143 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001336688227 888846121 /nfs/dbraw/zinc/84/61/21/888846121.db2.gz WLECODWLCOPWFT-ZWNOBZJWSA-N 2 0 268.361 -0.143 20 0 CBADRP CC[NH+]1CCN(CCC[NH2+]C[C@@H](O)C2(O)CCC2)CC1 ZINC001336736299 888860615 /nfs/dbraw/zinc/86/06/15/888860615.db2.gz LTDAZIKEPPCBFC-CQSZACIVSA-N 2 0 285.432 -0.121 20 0 CBADRP C[NH2+]CCCC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001336741773 888862438 /nfs/dbraw/zinc/86/24/38/888862438.db2.gz CMBXVWSWJNLZIR-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCN2CCCC2)CC1 ZINC001336754093 888867098 /nfs/dbraw/zinc/86/70/98/888867098.db2.gz AHIYHUKFALABKA-AWEZNQCLSA-N 2 0 270.421 -0.720 20 0 CBADRP C[N@@H+]1CCCN(CCC[NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001336749294 888868739 /nfs/dbraw/zinc/86/87/39/888868739.db2.gz ALFZIHDCGIVRDB-HNNXBMFYSA-N 2 0 295.431 -0.139 20 0 CBADRP CN(CCC[NH+](C)C)CC[NH2+]C[C@H](O)C1(O)CCC1 ZINC001336802062 888887396 /nfs/dbraw/zinc/88/73/96/888887396.db2.gz SLCZGDNRNXSSIN-ZDUSSCGKSA-N 2 0 273.421 -0.265 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001336821196 888891759 /nfs/dbraw/zinc/89/17/59/888891759.db2.gz PDYOUPFDWHOVGJ-SRVKXCTJSA-N 2 0 269.393 -0.731 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001336821194 888892095 /nfs/dbraw/zinc/89/20/95/888892095.db2.gz PDYOUPFDWHOVGJ-IJLUTSLNSA-N 2 0 269.393 -0.731 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)N1CC[NH2+]C[C@@H]1COC ZINC001336905300 888917104 /nfs/dbraw/zinc/91/71/04/888917104.db2.gz DHTQGOODMVWASN-GHMZBOCLSA-N 2 0 258.366 -0.528 20 0 CBADRP CCC[NH2+]CCNC(=O)N1CC[NH2+]C[C@@H]1COC ZINC001336917785 888918575 /nfs/dbraw/zinc/91/85/75/888918575.db2.gz FPROKDOHWUBAQC-LLVKDONJSA-N 2 0 258.366 -0.384 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)NCC3C[NH2+]C3)C[C@]2(C)C1 ZINC001336917996 888919959 /nfs/dbraw/zinc/91/99/59/888919959.db2.gz HVDHMFXAIDHTRI-YPMHNXCESA-N 2 0 252.362 -0.201 20 0 CBADRP CC1(C)CN(C(=O)NC[C@@H]2C[NH2+]CCO2)C[C@@H]1[NH3+] ZINC001336923450 888922278 /nfs/dbraw/zinc/92/22/78/888922278.db2.gz PYAUPJJRHSFGEJ-UWVGGRQHSA-N 2 0 256.350 -0.647 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC001336966047 888937551 /nfs/dbraw/zinc/93/75/51/888937551.db2.gz WAZUEZJLHBTWNP-SCVCMEIPSA-N 2 0 282.388 -0.561 20 0 CBADRP CC1(C)[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])[C@H]2CCC[NH2+][C@H]21 ZINC001337006161 888947555 /nfs/dbraw/zinc/94/75/55/888947555.db2.gz DNRUJISHZNHNQH-PREPNJAASA-N 2 0 267.373 -0.005 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCO1 ZINC001337043938 888953138 /nfs/dbraw/zinc/95/31/38/888953138.db2.gz QCCQZDLHVFHAFL-MJDLHHQISA-N 2 0 268.361 -0.363 20 0 CBADRP C[NH+](C)C[C@]1(O)CCCN(c2nccnc2C[NH3+])C1 ZINC001337208635 888976601 /nfs/dbraw/zinc/97/66/01/888976601.db2.gz TZASUWWAQNMSPP-CYBMUJFWSA-N 2 0 265.361 -0.172 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC001337441596 889010669 /nfs/dbraw/zinc/01/06/69/889010669.db2.gz UDIMYTVRVJJSDJ-NNYUYHANSA-N 2 0 294.399 -0.419 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC001337440775 889012135 /nfs/dbraw/zinc/01/21/35/889012135.db2.gz MLRKJNSOKAUTKV-GMTAPVOTSA-N 2 0 282.388 -0.561 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001337441790 889012514 /nfs/dbraw/zinc/01/25/14/889012514.db2.gz USRUFOOIPNFGMT-FDYHWXHSSA-N 2 0 294.399 -0.417 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001337472598 889017957 /nfs/dbraw/zinc/01/79/57/889017957.db2.gz YPANJVCNZWZBCE-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001337532871 889031544 /nfs/dbraw/zinc/03/15/44/889031544.db2.gz TWKZMTKAHDCAFQ-DCAQKATOSA-N 2 0 268.361 -0.950 20 0 CBADRP CC(C)(C(N)=O)N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001337837802 889086549 /nfs/dbraw/zinc/08/65/49/889086549.db2.gz GAVRCHQHWDGKBX-PHIMTYICSA-N 2 0 254.378 -0.395 20 0 CBADRP COC(=O)[C@H]1CN(CC(C)(C)[NH3+])C[C@H]1C(=O)OC ZINC001337838534 889086156 /nfs/dbraw/zinc/08/61/56/889086156.db2.gz ORUAPGQDTPPHDA-DTORHVGOSA-N 2 0 258.318 -0.382 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001448522379 913311880 /nfs/dbraw/zinc/31/18/80/913311880.db2.gz VOMACEZNWHMYDH-FVCCEPFGSA-N 2 0 296.415 -0.443 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C2([C@H](C)[NH3+])CCOCC2)C1 ZINC001338368235 889148874 /nfs/dbraw/zinc/14/88/74/889148874.db2.gz FTZOGHORMXBYBN-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)NC2CC[NH2+]CC2)C1=O ZINC001338370271 889149041 /nfs/dbraw/zinc/14/90/41/889149041.db2.gz YXFSXAUJTCHRMP-NSHDSACASA-N 2 0 268.361 -0.948 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[C@H]1[NH3+] ZINC001338373538 889150662 /nfs/dbraw/zinc/15/06/62/889150662.db2.gz GWOWOLDCANBDHF-GRYCIOLGSA-N 2 0 282.388 -0.621 20 0 CBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001338474059 889165043 /nfs/dbraw/zinc/16/50/43/889165043.db2.gz LSWIDOKTVVUWHT-AWEZNQCLSA-N 2 0 297.447 -0.077 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC001338639842 889184166 /nfs/dbraw/zinc/18/41/66/889184166.db2.gz AUYLHSIVYHWOCR-HBNTYKKESA-N 2 0 258.366 -0.258 20 0 CBADRP [NH3+]C/C=C/CNC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001338642422 889184665 /nfs/dbraw/zinc/18/46/65/889184665.db2.gz ZXXYPWYVRYQIEY-YYRQZUAOSA-N 2 0 282.388 -0.041 20 0 CBADRP CCO[C@H](CNC(=O)N1CC[C@@H]([NH3+])C1)C[NH+](C)C ZINC001338695404 889191280 /nfs/dbraw/zinc/19/12/80/889191280.db2.gz DICZUGXSRVUHIT-GHMZBOCLSA-N 2 0 258.366 -0.304 20 0 CBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001338765229 889201771 /nfs/dbraw/zinc/20/17/71/889201771.db2.gz FHSQAROEMXNCSA-CSYMLDBXSA-N 2 0 250.346 -0.260 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001448585075 913322595 /nfs/dbraw/zinc/32/25/95/913322595.db2.gz BEZPURPFRGTRGI-PWSUYJOCSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)C[C@H](C)[NH2+]1 ZINC001339716149 889313589 /nfs/dbraw/zinc/31/35/89/889313589.db2.gz SRYZYEYMIAADRS-RNJOBUHISA-N 2 0 266.389 -0.417 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001340042342 889368319 /nfs/dbraw/zinc/36/83/19/889368319.db2.gz VXTBCAVBWPBVPW-WCQYABFASA-N 2 0 287.404 -0.834 20 0 CBADRP C[C@@H](CS(C)(=O)=O)[NH2+]CCN1CCC([NH3+])CC1 ZINC001340065047 889376090 /nfs/dbraw/zinc/37/60/90/889376090.db2.gz RZKNXMXGEXJCLR-JTQLQIEISA-N 2 0 263.407 -0.568 20 0 CBADRP C[C@@H](CNC(=O)C1=NOC2(C1)CC[NH2+]CC2)[NH+](C)C ZINC001340056706 889376934 /nfs/dbraw/zinc/37/69/34/889376934.db2.gz OOZXUDADKKZBPP-JTQLQIEISA-N 2 0 268.361 -0.049 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC001340062169 889377702 /nfs/dbraw/zinc/37/77/02/889377702.db2.gz MPNOYYKUANKPLZ-UTUOFQBUSA-N 2 0 257.378 -0.339 20 0 CBADRP O=C(NCC1C[NH2+]C1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340128726 889392658 /nfs/dbraw/zinc/39/26/58/889392658.db2.gz OTZPRBIZJCFEEW-UHFFFAOYSA-N 2 0 252.318 -0.780 20 0 CBADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001340140392 889396355 /nfs/dbraw/zinc/39/63/55/889396355.db2.gz SESYUVIZXNAIFQ-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC001340183972 889403887 /nfs/dbraw/zinc/40/38/87/889403887.db2.gz PQRRMNFFNHYHQI-UTUOFQBUSA-N 2 0 266.389 -0.369 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC001340182707 889404741 /nfs/dbraw/zinc/40/47/41/889404741.db2.gz LCTAVSPMRJOGKC-HTQZYQBOSA-N 2 0 268.283 -0.714 20 0 CBADRP C[N@H+](CCNC(=O)CNCC[NH3+])Cc1ccccc1 ZINC001340192517 889404693 /nfs/dbraw/zinc/40/46/93/889404693.db2.gz XXVKCHVKIKYIPW-UHFFFAOYSA-N 2 0 264.373 -0.217 20 0 CBADRP C[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1)C[NH+]1CCCC1 ZINC001340182989 889405663 /nfs/dbraw/zinc/40/56/63/889405663.db2.gz GRQUSNKTKZMZMB-YRGRVCCFSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC001340197049 889407610 /nfs/dbraw/zinc/40/76/10/889407610.db2.gz WHLSBHOXPBVNJV-UTUOFQBUSA-N 2 0 257.378 -0.245 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)C[N@@H+]1C1CC1 ZINC001340242654 889414799 /nfs/dbraw/zinc/41/47/99/889414799.db2.gz VIZUEEFQSSZUJX-IQJOONFLSA-N 2 0 255.362 -0.174 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC001340266266 889416654 /nfs/dbraw/zinc/41/66/54/889416654.db2.gz MJSFYSPTOJZQNW-GVXVVHGQSA-N 2 0 257.378 -0.291 20 0 CBADRP CN(C(=O)[C@]1(C)C[C@@H](O)C[NH2+]1)C1CC[NH+](C)CC1 ZINC001340265829 889417124 /nfs/dbraw/zinc/41/71/24/889417124.db2.gz JIIDNJAKLPTHHR-YPMHNXCESA-N 2 0 255.362 -0.348 20 0 CBADRP CC(C)CN(C(=O)[C@H]([NH3+])CO)C1CC[NH+](C)CC1 ZINC001340322559 889421673 /nfs/dbraw/zinc/42/16/73/889421673.db2.gz ITJOWYYKDSXAFB-GFCCVEGCSA-N 2 0 257.378 -0.115 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CC[N@@H+]1C ZINC001340473358 889436324 /nfs/dbraw/zinc/43/63/24/889436324.db2.gz PSCWFZYVTKTDMA-GRYCIOLGSA-N 2 0 267.373 -0.036 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)CC(C)(C)C[NH3+] ZINC001340486477 889439612 /nfs/dbraw/zinc/43/96/12/889439612.db2.gz UQAGSMDDJVGJHF-NWDGAFQWSA-N 2 0 268.405 -0.182 20 0 CBADRP C[C@]1(C(=O)NCc2ccc(C[NH3+])cc2)C[C@H](O)C[NH2+]1 ZINC001340534842 889444864 /nfs/dbraw/zinc/44/48/64/889444864.db2.gz VFRATYADCMJFHJ-GXTWGEPZSA-N 2 0 263.341 -0.126 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC001340652990 889459012 /nfs/dbraw/zinc/45/90/12/889459012.db2.gz QAIDMGSOXWPMAX-RYUDHWBXSA-N 2 0 266.389 -0.319 20 0 CBADRP CCCN(CC[NH+](C)C)C(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001340646768 889459972 /nfs/dbraw/zinc/45/99/72/889459972.db2.gz ABVJRMUBUPZTPE-DGCLKSJQSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001340704539 889470799 /nfs/dbraw/zinc/47/07/99/889470799.db2.gz LEMLZILLRSDWQW-XZUYRWCXSA-N 2 0 255.362 -0.444 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001340725305 889472826 /nfs/dbraw/zinc/47/28/26/889472826.db2.gz DPTJATQZEWBKFM-QJPTWQEYSA-N 2 0 255.362 -0.443 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001448687470 913349498 /nfs/dbraw/zinc/34/94/98/913349498.db2.gz VXRMXFMQIAMBPT-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001340738250 889476588 /nfs/dbraw/zinc/47/65/88/889476588.db2.gz HMZZLFQUDMZQQV-QWRGUYRKSA-N 2 0 255.362 -0.003 20 0 CBADRP [NH3+]CC1(C(=O)N2C3CCC2(C[NH3+])CC3)CC(O)C1 ZINC001340764351 889482483 /nfs/dbraw/zinc/48/24/83/889482483.db2.gz QNFIWFDFUWISIM-UHFFFAOYSA-N 2 0 253.346 -0.432 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N2NC(=O)C[C@]23CC[NH2+]C3)C1 ZINC001340776358 889485049 /nfs/dbraw/zinc/48/50/49/889485049.db2.gz CNVKAFLLAINMDG-BREBYQMCSA-N 2 0 266.345 -0.501 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC001340789250 889487476 /nfs/dbraw/zinc/48/74/76/889487476.db2.gz ISXQVRLCQOSBJF-NEPJUHHUSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H]1C[C@H](C(=O)NC2(C[NH3+])CCOCC2)CC[NH2+]1 ZINC001340841516 889494425 /nfs/dbraw/zinc/49/44/25/889494425.db2.gz DCMYTUJBKRTJHK-GHMZBOCLSA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001340834985 889495091 /nfs/dbraw/zinc/49/50/91/889495091.db2.gz WDVQZQBFZWALHU-QJPTWQEYSA-N 2 0 255.362 -0.179 20 0 CBADRP O=C(N1CCC[C@H]([NH2+]CCO)C1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001340849433 889497776 /nfs/dbraw/zinc/49/77/76/889497776.db2.gz XHDPCLZWUWJRTD-OBJOEFQTSA-N 2 0 267.373 -0.441 20 0 CBADRP CC1(C)[C@H](NC(=O)CNCC[NH3+])[C@@H]2CCC[NH2+][C@H]21 ZINC001340847076 889498597 /nfs/dbraw/zinc/49/85/97/889498597.db2.gz NEPYQQNCSXLQTM-YUSALJHKSA-N 2 0 254.378 -0.573 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)CCC1CC[NH2+]CC1 ZINC001340863304 889500758 /nfs/dbraw/zinc/50/07/58/889500758.db2.gz PYCBUROZPQMGPW-GFCCVEGCSA-N 2 0 257.378 -0.195 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC001340889050 889506712 /nfs/dbraw/zinc/50/67/12/889506712.db2.gz WQJPRCAYRRVHCL-URAGZPLESA-N 2 0 255.362 -0.315 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001340907475 889508921 /nfs/dbraw/zinc/50/89/21/889508921.db2.gz QTTSIBXZPFYAPN-AAEUAGOBSA-N 2 0 269.389 -0.114 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2NC(=O)C[C@]23CC[NH2+]C3)CC[N@@H+]1C ZINC001340900267 889509001 /nfs/dbraw/zinc/50/90/01/889509001.db2.gz JTPKJOYCYXTAOP-BREBYQMCSA-N 2 0 266.345 -0.678 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001340905508 889509523 /nfs/dbraw/zinc/50/95/23/889509523.db2.gz GPARAHKDOFNXNA-BXKDBHETSA-N 2 0 254.334 -0.262 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC[NH2+]C1 ZINC001340905313 889509607 /nfs/dbraw/zinc/50/96/07/889509607.db2.gz RZCFESKZMYEGNG-NTZNESFSSA-N 2 0 255.362 -0.416 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC001340917172 889513028 /nfs/dbraw/zinc/51/30/28/889513028.db2.gz XWAAYEANQAGFTR-UTUOFQBUSA-N 2 0 257.378 -0.341 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC001340942968 889518739 /nfs/dbraw/zinc/51/87/39/889518739.db2.gz GKWCLFYYIYWTOJ-QWRGUYRKSA-N 2 0 254.378 -0.606 20 0 CBADRP C[C@@]1(C(=O)NCCN2CCC([NH3+])CC2)CC[NH2+]C1 ZINC001340941965 889520280 /nfs/dbraw/zinc/52/02/80/889520280.db2.gz GXGXSTHVJRETMS-CYBMUJFWSA-N 2 0 254.378 -0.475 20 0 CBADRP C[NH2+]CCCC(=O)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001341028257 889534247 /nfs/dbraw/zinc/53/42/47/889534247.db2.gz MKWLEQWIBHOPFL-CQSZACIVSA-N 2 0 277.372 -0.017 20 0 CBADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001341099473 889542280 /nfs/dbraw/zinc/54/22/80/889542280.db2.gz IWXAWBJKANABTA-TZMCWYRMSA-N 2 0 268.405 -0.085 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001341155119 889550363 /nfs/dbraw/zinc/55/03/63/889550363.db2.gz ZXUJWSFPXQETES-NNYUYHANSA-N 2 0 255.362 -0.729 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001341206705 889556505 /nfs/dbraw/zinc/55/65/05/889556505.db2.gz RVZLXXAXCMGZRA-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+][C@H]1CCNC1=O ZINC001448721396 913357950 /nfs/dbraw/zinc/35/79/50/913357950.db2.gz RXBXDMOHOWVNPT-AAEUAGOBSA-N 2 0 296.415 -0.347 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001341240516 889562233 /nfs/dbraw/zinc/56/22/33/889562233.db2.gz GPKQEWXTZIBTCJ-OUAUKWLOSA-N 2 0 269.345 -0.380 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC001341244635 889566540 /nfs/dbraw/zinc/56/65/40/889566540.db2.gz QSJADORQFAZTHQ-VHSXEESVSA-N 2 0 257.334 -0.536 20 0 CBADRP O=C(N1CCC2(C[NH2+]C2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001341317453 889574127 /nfs/dbraw/zinc/57/41/27/889574127.db2.gz FTKNZZHCQDFWFW-FZMZJTMJSA-N 2 0 265.357 -0.566 20 0 CBADRP [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)CN1CC[NH2+]CC1 ZINC001341335836 889577043 /nfs/dbraw/zinc/57/70/43/889577043.db2.gz OVHACAUPKORZBX-JSGCOSHPSA-N 2 0 266.389 -0.379 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC(C[NH3+])CC1 ZINC001341351424 889579432 /nfs/dbraw/zinc/57/94/32/889579432.db2.gz BSCSNZQSRIJAOQ-DGCLKSJQSA-N 2 0 266.389 -0.428 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001341370479 889583663 /nfs/dbraw/zinc/58/36/63/889583663.db2.gz YQTVDMMQUQYHAM-VHSXEESVSA-N 2 0 253.346 -0.378 20 0 CBADRP CN(C(=O)CON)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001341381566 889586070 /nfs/dbraw/zinc/58/60/70/889586070.db2.gz BLLNMJCENUPINU-GFCCVEGCSA-N 2 0 270.377 -0.496 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC001341447625 889599447 /nfs/dbraw/zinc/59/94/47/889599447.db2.gz LROUUGFXQZUKJM-OUCADQQQSA-N 2 0 266.389 -0.380 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001341458606 889601101 /nfs/dbraw/zinc/60/11/01/889601101.db2.gz SABVCQDKUOAAKQ-LOWVWBTDSA-N 2 0 255.362 -0.252 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001341471418 889603695 /nfs/dbraw/zinc/60/36/95/889603695.db2.gz CRAGKZSWQNDMOJ-SGMGOOAPSA-N 2 0 268.405 -0.325 20 0 CBADRP C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)N(C)C ZINC001448731260 913362867 /nfs/dbraw/zinc/36/28/67/913362867.db2.gz IUHJCVIQIMIUNE-LBPRGKRZSA-N 2 0 298.431 -0.147 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC001341500988 889608460 /nfs/dbraw/zinc/60/84/60/889608460.db2.gz GNYYXEPZSUUWNP-RTXFEEFZSA-N 2 0 269.389 -0.245 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC001341514556 889611664 /nfs/dbraw/zinc/61/16/64/889611664.db2.gz HVGYQPQXMBMBBU-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP O=C(CC[NH2+]CC1CC1)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001341524750 889613976 /nfs/dbraw/zinc/61/39/76/889613976.db2.gz HMNORGIEMVYDNJ-ZDUSSCGKSA-N 2 0 266.345 -0.628 20 0 CBADRP O=C(NCCC[NH+]1CCCC1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341540920 889620389 /nfs/dbraw/zinc/62/03/89/889620389.db2.gz UJVNWGURYFODPC-GFCCVEGCSA-N 2 0 294.399 -0.591 20 0 CBADRP CC1CC[NH+](CCNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001341556253 889623361 /nfs/dbraw/zinc/62/33/61/889623361.db2.gz XSTAVSFZEKRHSM-JSGCOSHPSA-N 2 0 269.389 -0.053 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]C[C@H]1CO ZINC001341583011 889628783 /nfs/dbraw/zinc/62/87/83/889628783.db2.gz WCNTYSORZRBJNG-NWDGAFQWSA-N 2 0 255.362 -0.348 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001341585006 889629773 /nfs/dbraw/zinc/62/97/73/889629773.db2.gz LMTCPCXVHRAZPR-JHJVBQTASA-N 2 0 296.415 -0.360 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)[C@H](O)C[NH2+]C ZINC001341642734 889640362 /nfs/dbraw/zinc/64/03/62/889640362.db2.gz KMUFAZXDKWMFGN-IJLUTSLNSA-N 2 0 257.378 -0.197 20 0 CBADRP [NH3+]CCCN(Cc1ccccc1)C(=O)CNCC[NH3+] ZINC001341664500 889642107 /nfs/dbraw/zinc/64/21/07/889642107.db2.gz BUZDWJBEOIOBAC-UHFFFAOYSA-N 2 0 264.373 -0.088 20 0 CBADRP C[NH+](C)CCCCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001341663323 889642246 /nfs/dbraw/zinc/64/22/46/889642246.db2.gz RHVPXOZTCVPNJX-LBPRGKRZSA-N 2 0 284.404 -0.358 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1)C1CC1 ZINC001341658067 889643332 /nfs/dbraw/zinc/64/33/32/889643332.db2.gz DGUFCUKDGPUEQD-NQBHXWOUSA-N 2 0 255.362 -0.444 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@H](C)[C@H](O)C[NH2+]C)CC[C@H]1[NH3+] ZINC001341659555 889643614 /nfs/dbraw/zinc/64/36/14/889643614.db2.gz NEVULEFRKIHMJA-DDHJBXDOSA-N 2 0 257.378 -0.211 20 0 CBADRP [NH3+][C@@H]1C[C@@H](NC(=O)C[C@@]2(O)CCC[NH2+]C2)C12CCC2 ZINC001341656798 889643634 /nfs/dbraw/zinc/64/36/34/889643634.db2.gz YPCHJZFTIGKURB-WZRBSPASSA-N 2 0 267.373 -0.123 20 0 CBADRP [NH3+][C@H](Cc1ccccn1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001341667533 889645686 /nfs/dbraw/zinc/64/56/86/889645686.db2.gz ZQGRJJRJQTXRFY-NTZNESFSSA-N 2 0 260.341 -0.371 20 0 CBADRP [NH3+]CC1(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC(O)C1 ZINC001341683774 889648896 /nfs/dbraw/zinc/64/88/96/889648896.db2.gz JHRKTVAOGPOLGW-DCBWTQNWSA-N 2 0 267.373 -0.217 20 0 CBADRP C[C@H](CNC(=O)[C@H]([NH3+])CO)[N@H+](C)Cc1ccccc1 ZINC001341701357 889652160 /nfs/dbraw/zinc/65/21/60/889652160.db2.gz POEBINAEEZNYOS-DGCLKSJQSA-N 2 0 265.357 -0.057 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC1(C)CC[NH2+]CC1 ZINC001341769061 889660445 /nfs/dbraw/zinc/66/04/45/889660445.db2.gz YRUDMRDCGASPNM-NEPJUHHUSA-N 2 0 266.389 -0.367 20 0 CBADRP CC1(C)CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC[NH2+]1 ZINC001341794651 889663564 /nfs/dbraw/zinc/66/35/64/889663564.db2.gz FSWDPSOTGXCPSQ-ZDUSSCGKSA-N 2 0 255.362 -0.299 20 0 CBADRP CCO[C@H](CNC(=O)[C@@H]([NH3+])CCOC)C[NH+](C)C ZINC001341798379 889666589 /nfs/dbraw/zinc/66/65/89/889666589.db2.gz XJLZUTQRSNQVQW-MNOVXSKESA-N 2 0 261.366 -0.567 20 0 CBADRP C[NH2+]CCC(=O)N=c1nc(C2CC[NH2+]CC2)[nH]n1C ZINC001341808183 889666676 /nfs/dbraw/zinc/66/66/76/889666676.db2.gz KFKNBLMWWCLONT-UHFFFAOYSA-N 2 0 266.349 -0.748 20 0 CBADRP C[NH+](C)CCCOC1CCN(C(=O)CNCC[NH3+])CC1 ZINC001341870566 889676343 /nfs/dbraw/zinc/67/63/43/889676343.db2.gz GQBNBHMWMZXKHQ-UHFFFAOYSA-N 2 0 286.420 -0.506 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[C@H]1C[NH3+] ZINC001341870117 889676868 /nfs/dbraw/zinc/67/68/68/889676868.db2.gz BLLGCGYEZAYDMD-FRRDWIJNSA-N 2 0 296.415 -0.373 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[C@@H]1C[NH3+] ZINC001341870118 889677068 /nfs/dbraw/zinc/67/70/68/889677068.db2.gz BLLGCGYEZAYDMD-JHJVBQTASA-N 2 0 296.415 -0.373 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001341940485 889686510 /nfs/dbraw/zinc/68/65/10/889686510.db2.gz KDLKGHGLGJHMFG-SDDRHHMPSA-N 2 0 256.394 -0.280 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC001341986090 889694192 /nfs/dbraw/zinc/69/41/92/889694192.db2.gz XIQKOLOMZANMLZ-DTWKUNHWSA-N 2 0 263.345 -0.087 20 0 CBADRP C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@@H]1C[N@H+](C)CCN1C ZINC001342033153 889702081 /nfs/dbraw/zinc/70/20/81/889702081.db2.gz CPMIKFJCWBRHLM-XQQFMLRXSA-N 2 0 268.405 -0.264 20 0 CBADRP CC(C)(C[NH3+])C1CCN(C(=O)C[C@H](O)C[NH3+])CC1 ZINC001342045680 889702314 /nfs/dbraw/zinc/70/23/14/889702314.db2.gz VSELLCBXSBPCCH-NSHDSACASA-N 2 0 257.378 -0.080 20 0 CBADRP C[C@@H](NC(=O)[C@H](C)[NH2+]C1CC1)[C@H]1C[N@H+](C)CCN1C ZINC001342037344 889703092 /nfs/dbraw/zinc/70/30/92/889703092.db2.gz SNROPTAMQMALCL-NTZNESFSSA-N 2 0 268.405 -0.123 20 0 CBADRP [NH3+][C@H]1C[C@H](NC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC001342067038 889705021 /nfs/dbraw/zinc/70/50/21/889705021.db2.gz VEQLOMUJVRKJBV-KYZUINATSA-N 2 0 264.333 -0.578 20 0 CBADRP C[C@@]1(C(=O)N2CCC3(C[NH2+]C3)CC2)C[NH2+]CCO1 ZINC001342078646 889707478 /nfs/dbraw/zinc/70/74/78/889707478.db2.gz XGQDIPYVRXJLDR-LBPRGKRZSA-N 2 0 253.346 -0.423 20 0 CBADRP O=C(NCC1(O)C[NH2+]C1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC001342087776 889707971 /nfs/dbraw/zinc/70/79/71/889707971.db2.gz PXBZBUJZXCXFBR-GFCCVEGCSA-N 2 0 261.325 -0.849 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC001342108912 889710507 /nfs/dbraw/zinc/71/05/07/889710507.db2.gz OLEQIYMHWIYQFS-SNVBAGLBSA-N 2 0 263.345 -0.217 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@H]2COC3(C[NH2+]C3)C2)C1 ZINC001342125170 889714434 /nfs/dbraw/zinc/71/44/34/889714434.db2.gz GZFUFZBJXJZETQ-GMTAPVOTSA-N 2 0 253.346 -0.249 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC1([NH3+])CCCC1 ZINC001342128267 889717137 /nfs/dbraw/zinc/71/71/37/889717137.db2.gz ZQONAXFCUIWRNF-NEPJUHHUSA-N 2 0 266.389 -0.238 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1=O ZINC001342176621 889727292 /nfs/dbraw/zinc/72/72/92/889727292.db2.gz SKBANQOMFPKOEG-HBNTYKKESA-N 2 0 286.351 -0.919 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@@H]1C[NH2+]CC12CC2 ZINC001342200456 889729740 /nfs/dbraw/zinc/72/97/40/889729740.db2.gz IGSPAFRFEWBHSR-WDEREUQCSA-N 2 0 253.346 -0.377 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[NH2+]CCC12CCC2 ZINC001342229927 889736451 /nfs/dbraw/zinc/73/64/51/889736451.db2.gz XHJHHSBIEAEZMZ-NEPJUHHUSA-N 2 0 267.373 -0.129 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001342255567 889741796 /nfs/dbraw/zinc/74/17/96/889741796.db2.gz IUJQQHVJCSJYHS-JOYOIKCWSA-N 2 0 254.334 -0.310 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)c1cccc2c1CC[NH2+]C2 ZINC001342271121 889744602 /nfs/dbraw/zinc/74/46/02/889744602.db2.gz OIYXEZMCVVUAQP-QWHCGFSZSA-N 2 0 261.325 -0.605 20 0 CBADRP C[C@]1(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C[C@@H](O)C[NH2+]1 ZINC001342286244 889747169 /nfs/dbraw/zinc/74/71/69/889747169.db2.gz URLVJJHMLNIFAW-XKAARJIMSA-N 2 0 253.346 -0.561 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001342338752 889755290 /nfs/dbraw/zinc/75/52/90/889755290.db2.gz WRNWHCQODPIPBV-VHSXEESVSA-N 2 0 266.345 -0.249 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001342338520 889756707 /nfs/dbraw/zinc/75/67/07/889756707.db2.gz UMPBXMVANVUPPP-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CCCC[NH2+]1 ZINC001342416123 889769458 /nfs/dbraw/zinc/76/94/58/889769458.db2.gz NZHCGNYGNDCYAV-NQBHXWOUSA-N 2 0 255.362 -0.131 20 0 CBADRP CN(CCCCCC[NH3+])C(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001342435385 889776022 /nfs/dbraw/zinc/77/60/22/889776022.db2.gz GHRUGXYFZVNGKL-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP [NH3+]CCNCC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001342435382 889776194 /nfs/dbraw/zinc/77/61/94/889776194.db2.gz GHMMRXVEDTVFET-GFCCVEGCSA-N 2 0 268.405 -0.037 20 0 CBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCN1CCC([NH3+])CC1 ZINC001342462150 889780735 /nfs/dbraw/zinc/78/07/35/889780735.db2.gz PUOBNECXCBLEDZ-ZYHUDNBSSA-N 2 0 254.378 -0.476 20 0 CBADRP CCN(C(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C)[C@@H]1CC[NH2+]C1 ZINC001342476723 889780542 /nfs/dbraw/zinc/78/05/42/889780542.db2.gz VVUWXJAMOVUPOQ-UPJWGTAASA-N 2 0 266.389 -0.415 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001342477483 889781223 /nfs/dbraw/zinc/78/12/23/889781223.db2.gz WXGXNJDQXJFPKD-RULNZFCNSA-N 2 0 251.252 -0.071 20 0 CBADRP C[C@@]1(C(=O)N2CCC(OC3C[NH2+]C3)CC2)CC[NH2+]C1 ZINC001342491335 889783493 /nfs/dbraw/zinc/78/34/93/889783493.db2.gz QFSXGSQXGRFNAO-CQSZACIVSA-N 2 0 267.373 -0.035 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cn1ccnc1C ZINC001448778013 913381221 /nfs/dbraw/zinc/38/12/21/913381221.db2.gz FTFWGOYJZABYAC-WDEREUQCSA-N 2 0 295.387 -0.237 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)N2CCC[C@H]([NH3+])C2)n1 ZINC001342492217 889783834 /nfs/dbraw/zinc/78/38/34/889783834.db2.gz OETDPECGLSFMRS-JTQLQIEISA-N 2 0 251.334 -0.205 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cn1ccnc1C ZINC001448778010 913381740 /nfs/dbraw/zinc/38/17/40/913381740.db2.gz FTFWGOYJZABYAC-QWRGUYRKSA-N 2 0 295.387 -0.237 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC001342548209 889791856 /nfs/dbraw/zinc/79/18/56/889791856.db2.gz AJCDQDOVNIZUAZ-YPMHNXCESA-N 2 0 268.405 -0.086 20 0 CBADRP C[C@@]1(C(=O)NCCN2CCC([NH3+])CC2)CCC[NH2+]1 ZINC001342548819 889792005 /nfs/dbraw/zinc/79/20/05/889792005.db2.gz KAUQUTMYGCFTNN-ZDUSSCGKSA-N 2 0 254.378 -0.332 20 0 CBADRP [NH3+]CCc1ccc(C(=O)N2CCNCC[NH2+]CC2)cc1 ZINC001342620487 889801618 /nfs/dbraw/zinc/80/16/18/889801618.db2.gz ADBOGKPZEXLUML-UHFFFAOYSA-N 2 0 276.384 -0.177 20 0 CBADRP C[NH2+][C@H](CNC(=O)[C@H]([NH3+])CO)Cc1ccccc1 ZINC001342630819 889804364 /nfs/dbraw/zinc/80/43/64/889804364.db2.gz VLIWAGCESAENCR-NWDGAFQWSA-N 2 0 251.330 -0.747 20 0 CBADRP CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1)C(N)=O ZINC001448794040 913384088 /nfs/dbraw/zinc/38/40/88/913384088.db2.gz XAHLDKJUNFPNAD-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@]1(C(=O)NCCCCCN2CC[NH2+]CC2)C[C@@H](O)C[NH2+]1 ZINC001342678226 889814991 /nfs/dbraw/zinc/81/49/91/889814991.db2.gz AKNIIUXPVKHJOA-HIFRSBDPSA-N 2 0 298.431 -0.709 20 0 CBADRP CC[C@H]([NH3+])C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001342687513 889815536 /nfs/dbraw/zinc/81/55/36/889815536.db2.gz KSGYPRDAYZFZTR-LBPRGKRZSA-N 2 0 256.394 -0.085 20 0 CBADRP C[NH2+]CCCC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001342687820 889815943 /nfs/dbraw/zinc/81/59/43/889815943.db2.gz NMCWHKKTWRBWRH-LLVKDONJSA-N 2 0 283.372 -0.213 20 0 CBADRP CN(C(=O)[C@]1(C[NH3+])CCCOC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001342792677 889830635 /nfs/dbraw/zinc/83/06/35/889830635.db2.gz XDUAQVZVANFJEH-WGBDABJCSA-N 2 0 253.346 -0.582 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H](C)[C@H](O)C[NH2+]C)C1CC1 ZINC001343419654 889901533 /nfs/dbraw/zinc/90/15/33/889901533.db2.gz FVAZNQJASDCXMT-ZYHUDNBSSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001342915352 889845586 /nfs/dbraw/zinc/84/55/86/889845586.db2.gz WOXGTJHVMZLJDX-VXGBXAGGSA-N 2 0 256.394 -0.325 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001342959157 889847676 /nfs/dbraw/zinc/84/76/76/889847676.db2.gz JFGMAHFJVLGCJT-SRVKXCTJSA-N 2 0 257.378 -0.149 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001342938794 889849196 /nfs/dbraw/zinc/84/91/96/889849196.db2.gz YSECVXYGUZNEMT-XZUYRWCXSA-N 2 0 255.362 -0.396 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC001342991250 889852503 /nfs/dbraw/zinc/85/25/03/889852503.db2.gz AEEFHUBDRLTJIA-NEPJUHHUSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H](CNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2)[NH+](C)C ZINC001343393187 889899213 /nfs/dbraw/zinc/89/92/13/889899213.db2.gz FMULMOOUBYEORF-GXFFZTMASA-N 2 0 268.361 -0.049 20 0 CBADRP C[C@H](CNC(=O)C[C@@H](O)C[NH3+])[NH+]1CCC(C)CC1 ZINC001343407529 889903364 /nfs/dbraw/zinc/90/33/64/889903364.db2.gz DYJPIRQOHXOOCP-VXGBXAGGSA-N 2 0 257.378 -0.067 20 0 CBADRP C[C@H]1COCCN1CCNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001343421835 889905517 /nfs/dbraw/zinc/90/55/17/889905517.db2.gz RVWUKFGEFRCIAI-WUHRBBMRSA-N 2 0 267.373 -0.036 20 0 CBADRP COCC[NH2+]CCNC(=O)c1cn2cc(C[NH3+])ccc2n1 ZINC001343457205 889913555 /nfs/dbraw/zinc/91/35/55/889913555.db2.gz AOMHHDXVWIHYBQ-UHFFFAOYSA-N 2 0 291.355 -0.241 20 0 CBADRP C[C@@]1(CNC(=O)C[C@@]2(O)CCC[NH2+]C2)CCC[NH2+]C1 ZINC001343469491 889915481 /nfs/dbraw/zinc/91/54/81/889915481.db2.gz ZQILZOLMMYBVQK-KGLIPLIRSA-N 2 0 269.389 -0.003 20 0 CBADRP C[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)[C@@H]1C[N@H+](C)CCN1C ZINC001343487589 889919765 /nfs/dbraw/zinc/91/97/65/889919765.db2.gz FHGWEDGSMNDTMS-CYDGBPFRSA-N 2 0 268.405 -0.265 20 0 CBADRP COCC1(CNC(=O)[C@@H]2C[C@@H]2C[NH3+])CC[NH2+]CC1 ZINC001343489792 889921116 /nfs/dbraw/zinc/92/11/16/889921116.db2.gz ZEVVQECVMVRWBC-GHMZBOCLSA-N 2 0 255.362 -0.286 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[C@@H]1[NH3+] ZINC001343489457 889921384 /nfs/dbraw/zinc/92/13/84/889921384.db2.gz SMPKVNPHQOCECN-AGIUHOORSA-N 2 0 296.415 -0.231 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001343510491 889925808 /nfs/dbraw/zinc/92/58/08/889925808.db2.gz PTBHDUQPGDRBRW-QWHCGFSZSA-N 2 0 268.405 -0.227 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC001343507267 889926395 /nfs/dbraw/zinc/92/63/95/889926395.db2.gz ILQGYXAVIFFLDX-WDEREUQCSA-N 2 0 252.362 -0.852 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CCCC[C@]12CCC[NH2+]C2 ZINC001343763670 889961540 /nfs/dbraw/zinc/96/15/40/889961540.db2.gz FGXUEIHSIVDSPF-WCQYABFASA-N 2 0 255.362 -0.169 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001343918836 889977934 /nfs/dbraw/zinc/97/79/34/889977934.db2.gz IGSIRXBMIYPQPC-SCRDCRAPSA-N 2 0 266.389 -0.523 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)C[C@H]1C[NH3+] ZINC001343933501 889982458 /nfs/dbraw/zinc/98/24/58/889982458.db2.gz XBZDQQJFELZTLU-HTXLXMOSSA-N 2 0 267.373 -0.208 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001343973666 889984245 /nfs/dbraw/zinc/98/42/45/889984245.db2.gz BPQYDLMAIPOBMH-VIFPVBQESA-N 2 0 268.361 -0.998 20 0 CBADRP C[NH+](C)C[C@H](NC(=O)[C@H]([NH3+])CO)c1ccc(F)cc1 ZINC001343994397 889988688 /nfs/dbraw/zinc/98/86/88/889988688.db2.gz VJKKLFMALUDWNB-NEPJUHHUSA-N 2 0 269.320 -0.136 20 0 CBADRP [NH3+]C[C@@H](O)CNC(=O)CCCCC1CC[NH2+]CC1 ZINC001344043268 889996030 /nfs/dbraw/zinc/99/60/30/889996030.db2.gz CBHASHONQAQRCI-GFCCVEGCSA-N 2 0 257.378 -0.018 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001344057326 889997567 /nfs/dbraw/zinc/99/75/67/889997567.db2.gz FVKADAMPULABSB-XSRFYTQQSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@]1(NC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC[NH2+]C1 ZINC001344092127 890004814 /nfs/dbraw/zinc/00/48/14/890004814.db2.gz HTYJXKRVYFJHBQ-LBPRGKRZSA-N 2 0 266.345 -0.247 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N[C@H]2CC[NH2+]C23CCC3)C1=O ZINC001344128050 890006283 /nfs/dbraw/zinc/00/62/83/890006283.db2.gz KWHTWNGGWAXYOG-RYUDHWBXSA-N 2 0 294.399 -0.416 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001344345535 890016257 /nfs/dbraw/zinc/01/62/57/890016257.db2.gz YAELCDPGWUSBDM-NSHDSACASA-N 2 0 271.361 -0.893 20 0 CBADRP CC1CC[NH+](CC(=O)N2CC[NH2+]C[C@H]2CO)CC1 ZINC001344517559 890031053 /nfs/dbraw/zinc/03/10/53/890031053.db2.gz LQZQVADQXNEIRE-LBPRGKRZSA-N 2 0 255.362 -0.489 20 0 CBADRP [NH3+]CCc1ccc(C(=O)N2CC[NH2+]C[C@@H]2CO)cc1 ZINC001344517233 890033553 /nfs/dbraw/zinc/03/35/53/890033553.db2.gz JEBHDNHGCKTDDO-CYBMUJFWSA-N 2 0 263.341 -0.406 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC001344519128 890034958 /nfs/dbraw/zinc/03/49/58/890034958.db2.gz SJXBIQBBCWOMMO-RVMXOQNASA-N 2 0 269.389 -0.102 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC001344519124 890037773 /nfs/dbraw/zinc/03/77/73/890037773.db2.gz SJXBIQBBCWOMMO-RNJOBUHISA-N 2 0 269.389 -0.102 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001344644400 890051325 /nfs/dbraw/zinc/05/13/25/890051325.db2.gz YBIADDPUQCMBGE-HNCHTBHHSA-N 2 0 255.362 -0.539 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001344644399 890052299 /nfs/dbraw/zinc/05/22/99/890052299.db2.gz YBIADDPUQCMBGE-DCQANWLSSA-N 2 0 255.362 -0.539 20 0 CBADRP C[C@@H]([NH3+])CC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001344919974 890079583 /nfs/dbraw/zinc/07/95/83/890079583.db2.gz MVIDRQQIWZPLPT-GFCCVEGCSA-N 2 0 256.394 -0.085 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)C2=CCC[NH2+]CC2)C1 ZINC001344990309 890089148 /nfs/dbraw/zinc/08/91/48/890089148.db2.gz YQFSQUYHPGOQFI-CYBMUJFWSA-N 2 0 253.346 -0.392 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC001345098836 890100471 /nfs/dbraw/zinc/10/04/71/890100471.db2.gz WZKKXLLMRCMREI-WUHRBBMRSA-N 2 0 258.362 -0.260 20 0 CBADRP [NH3+]C[C@]12CC[C@H]1CCCN2CC(=O)N1CC[NH2+]CC1 ZINC001345137334 890102383 /nfs/dbraw/zinc/10/23/83/890102383.db2.gz LTBKWCUYFUBYGS-TZMCWYRMSA-N 2 0 266.389 -0.379 20 0 CBADRP C([C@@H]1C[NH2+]CCO1)N1CC[NH2+]CCC12CCOCC2 ZINC001345137308 890102746 /nfs/dbraw/zinc/10/27/46/890102746.db2.gz LCTNFJIQXZZMRF-ZDUSSCGKSA-N 2 0 269.389 -0.181 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001345165834 890105974 /nfs/dbraw/zinc/10/59/74/890105974.db2.gz DBFDRDSMRAEUTJ-AXFHLTTASA-N 2 0 270.377 -0.561 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCC[C@H](C)[NH2+]C)C1CC1 ZINC001345180975 890108091 /nfs/dbraw/zinc/10/80/91/890108091.db2.gz TYPDGSMKVXRXEK-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001345359165 890122079 /nfs/dbraw/zinc/12/20/79/890122079.db2.gz OPAZVXPTQZARKM-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001345489645 890134295 /nfs/dbraw/zinc/13/42/95/890134295.db2.gz CTFUSNAJFXTVBW-GFCCVEGCSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001345501069 890138242 /nfs/dbraw/zinc/13/82/42/890138242.db2.gz JGPSEEQZOMELLL-OBPIAQAESA-N 2 0 264.373 -0.616 20 0 CBADRP [NH3+][C@H](Cc1ccccn1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001345500165 890138438 /nfs/dbraw/zinc/13/84/38/890138438.db2.gz FVJYJXCPICEDPK-FVCCEPFGSA-N 2 0 260.341 -0.040 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001345545391 890141353 /nfs/dbraw/zinc/14/13/53/890141353.db2.gz PDQAYODDQSBGHG-JOCQHMNTSA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCC(=O)NC2CC2)CC1 ZINC001345604593 890145440 /nfs/dbraw/zinc/14/54/40/890145440.db2.gz CKKYGPHHEHCVDE-AWEZNQCLSA-N 2 0 298.431 -0.757 20 0 CBADRP C[NH2+]CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001345597140 890145640 /nfs/dbraw/zinc/14/56/40/890145640.db2.gz XQMOWDFQGZBPND-WDEREUQCSA-N 2 0 266.349 -0.924 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)c1ccc(C[NH3+])o1 ZINC001345646413 890149245 /nfs/dbraw/zinc/14/92/45/890149245.db2.gz MDULHHHOZPQXDH-SECBINFHSA-N 2 0 253.302 -0.201 20 0 CBADRP C[NH2+]CC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001345762432 890159931 /nfs/dbraw/zinc/15/99/31/890159931.db2.gz JQKYLQMDNNJMNM-UHFFFAOYSA-N 2 0 268.405 -0.119 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)c1cn(CCC[NH3+])nn1 ZINC001345810889 890166627 /nfs/dbraw/zinc/16/66/27/890166627.db2.gz UPAHJDUUWWUJQH-SNVBAGLBSA-N 2 0 266.349 -0.549 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC001345829693 890169120 /nfs/dbraw/zinc/16/91/20/890169120.db2.gz DSCOXSWJFAQYHT-SECBINFHSA-N 2 0 254.338 -0.658 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001345856441 890172017 /nfs/dbraw/zinc/17/20/17/890172017.db2.gz RLZSVEXLVXWYOO-GMTAPVOTSA-N 2 0 268.361 -0.889 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC001345911288 890177374 /nfs/dbraw/zinc/17/73/74/890177374.db2.gz IMXLNLGQCCYSJV-JHJVBQTASA-N 2 0 296.415 -0.312 20 0 CBADRP CC(C)[C@@H]([NH3+])CCN(C)CC(=O)N1CC[NH2+]CC1 ZINC001346017148 890195957 /nfs/dbraw/zinc/19/59/57/890195957.db2.gz KNACRTUOLQAXHO-LBPRGKRZSA-N 3 0 256.394 -0.277 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001346028313 890197826 /nfs/dbraw/zinc/19/78/26/890197826.db2.gz LGNCYSJZOIVBSG-LBPRGKRZSA-N 3 0 268.365 -0.651 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]C1)[C@H]1[NH2+]CC12CCOCC2 ZINC001346048197 890203499 /nfs/dbraw/zinc/20/34/99/890203499.db2.gz KSTGJGGPQYZCOG-NWDGAFQWSA-N 2 0 267.373 -0.129 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001346056538 890205631 /nfs/dbraw/zinc/20/56/31/890205631.db2.gz AHQWPQGTCCDWKM-WCQYABFASA-N 2 0 255.362 -0.312 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001346056757 890209091 /nfs/dbraw/zinc/20/90/91/890209091.db2.gz BZXKYSSJQSXNRI-LBPRGKRZSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NC2CC[NH2+]CC2)CC1 ZINC001346103292 890213444 /nfs/dbraw/zinc/21/34/44/890213444.db2.gz IFOKIAFQDNIJMR-UHFFFAOYSA-N 2 0 268.405 -0.118 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCNc2ncccn2)CC1 ZINC001346122626 890222889 /nfs/dbraw/zinc/22/28/89/890222889.db2.gz KWQLODYMDALHRL-ZDUSSCGKSA-N 2 0 294.403 -0.914 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCN1C[C@H]2C ZINC001346173081 890228461 /nfs/dbraw/zinc/22/84/61/890228461.db2.gz KBGFAHUHGCAOKA-KGLIPLIRSA-N 2 0 298.431 -0.541 20 0 CBADRP CC(C)[NH2+]CC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001346228475 890243575 /nfs/dbraw/zinc/24/35/75/890243575.db2.gz JEQJCABBFISJNS-NWDGAFQWSA-N 2 0 256.394 -0.265 20 0 CBADRP O=C(Cn1ccnc1)N1CC(N2CC[C@@H](O)C2)C1 ZINC001346304556 890261034 /nfs/dbraw/zinc/26/10/34/890261034.db2.gz BNTIMYZQUYNSJT-LLVKDONJSA-N 2 0 250.302 -0.840 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH+](C)C1CC1 ZINC001346309686 890264005 /nfs/dbraw/zinc/26/40/05/890264005.db2.gz ZPWRTFDTLJHFML-WCQYABFASA-N 2 0 266.389 -0.415 20 0 CBADRP C[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)NCC(F)F ZINC001346327221 890266363 /nfs/dbraw/zinc/26/63/63/890266363.db2.gz WXSJPMYBWCSKNX-NWDGAFQWSA-N 2 0 294.390 -0.573 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC([NH+](C)C)CC1 ZINC001346319349 890268336 /nfs/dbraw/zinc/26/83/36/890268336.db2.gz KIUCGPWUFRDLOV-LBPRGKRZSA-N 2 0 256.394 -0.182 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)CC[NH+](C)C ZINC001346611696 890333064 /nfs/dbraw/zinc/33/30/64/890333064.db2.gz LULZJFXQDBAESR-NEPJUHHUSA-N 2 0 254.378 -0.605 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCCCO1 ZINC001448888666 913442855 /nfs/dbraw/zinc/44/28/55/913442855.db2.gz MBXFOPBUISDIDN-QWHCGFSZSA-N 2 0 287.404 -0.426 20 0 CBADRP Cc1nn(C)cc1C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C ZINC001448886181 913445274 /nfs/dbraw/zinc/44/52/74/913445274.db2.gz HLIUUATZEOZGCN-ZDUSSCGKSA-N 2 0 297.403 -0.753 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC[NH2+]C)CC1 ZINC001347060565 890397474 /nfs/dbraw/zinc/39/74/74/890397474.db2.gz FPKQWWJVMSXLTD-UHFFFAOYSA-N 2 0 299.419 -0.504 20 0 CBADRP C([C@H]1C[NH2+]CCO1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001347145862 890416318 /nfs/dbraw/zinc/41/63/18/890416318.db2.gz QPAQDANGUSHEAM-UONOGXRCSA-N 2 0 269.389 -0.371 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)CC3([NH3+])CC3)C[C@H]2[NH3+])cn1 ZINC001347157674 890417668 /nfs/dbraw/zinc/41/76/68/890417668.db2.gz PWTGLLJTFXRKIA-WDEREUQCSA-N 2 0 263.345 -0.445 20 0 CBADRP [NH3+]CCC1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001347157740 890417998 /nfs/dbraw/zinc/41/79/98/890417998.db2.gz ROKZUVYDDCSVSM-VXGBXAGGSA-N 2 0 255.362 -0.062 20 0 CBADRP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001347174211 890423743 /nfs/dbraw/zinc/42/37/43/890423743.db2.gz BAWSYUDUKARHFX-DGCLKSJQSA-N 2 0 255.362 -0.394 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]CC2CC[NH2+]CC2)n1 ZINC001348447165 890626217 /nfs/dbraw/zinc/62/62/17/890626217.db2.gz NPOOWMIZCUYCIX-UHFFFAOYSA-N 2 0 251.334 -0.270 20 0 CBADRP O=C(NC[C@@H](CO)[NH2+]C/C=C/Cl)C12CC[NH+](CC1)C2 ZINC001448951959 913471366 /nfs/dbraw/zinc/47/13/66/913471366.db2.gz WVBUPACIGJBHEH-BQTOJVEASA-N 2 0 287.791 -0.099 20 0 CBADRP [NH3+]Cc1cc(C(=O)NC[C@H]2C[NH2+]CCO2)ccn1 ZINC001348942968 890730744 /nfs/dbraw/zinc/73/07/44/890730744.db2.gz JHKKJVPDMPEEJJ-LLVKDONJSA-N 2 0 250.302 -0.742 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001449025692 913483222 /nfs/dbraw/zinc/48/32/22/913483222.db2.gz VDHANNKDAAGATP-RYUDHWBXSA-N 2 0 284.404 -0.348 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001449025688 913483680 /nfs/dbraw/zinc/48/36/80/913483680.db2.gz VDHANNKDAAGATP-NWDGAFQWSA-N 2 0 284.404 -0.348 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH+]1CC=CC1 ZINC001349075560 890755046 /nfs/dbraw/zinc/75/50/46/890755046.db2.gz XDGTUNIKBCJPDG-OLZOCXBDSA-N 2 0 264.373 -0.637 20 0 CBADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001349317462 890793874 /nfs/dbraw/zinc/79/38/74/890793874.db2.gz CEDBIKIVEOKYIF-UWVGGRQHSA-N 2 0 266.345 -0.747 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]([NH2+]C)c2cnn(C)c2)C1 ZINC001349372506 890802058 /nfs/dbraw/zinc/80/20/58/890802058.db2.gz NUQBTIGGEVXWMV-JQWIXIFHSA-N 2 0 265.361 -0.252 20 0 CBADRP NC(=O)C[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC001349388535 890805344 /nfs/dbraw/zinc/80/53/44/890805344.db2.gz DDPYUXHLGAAQNE-GFCCVEGCSA-N 2 0 254.378 -0.521 20 0 CBADRP O=C(C[N@@H+](CCCCO)C1CC1)N1CC[NH2+]CC1 ZINC001349390264 890805388 /nfs/dbraw/zinc/80/53/88/890805388.db2.gz SEUSBFIRVHNWBP-UHFFFAOYSA-N 2 0 255.362 -0.345 20 0 CBADRP CC(C)(CCC[NH3+])NC(=O)c1cn(CCC[NH3+])nn1 ZINC001349398836 890805663 /nfs/dbraw/zinc/80/56/63/890805663.db2.gz RRNWPRMXXURXRG-UHFFFAOYSA-N 2 0 268.365 -0.126 20 0 CBADRP Cn1cc([C@@H]2CN(CCOCC[NH3+])C[C@H]2[NH3+])cn1 ZINC001349398159 890807349 /nfs/dbraw/zinc/80/73/49/890807349.db2.gz FONXDPBDRDWPIO-NWDGAFQWSA-N 2 0 253.350 -0.878 20 0 CBADRP COC1(C(=O)NCCC[NH+]2CCC(O)CC2)CC[NH2+]CC1 ZINC001349471853 890822127 /nfs/dbraw/zinc/82/21/27/890822127.db2.gz FGISSVJJEOVWRI-UHFFFAOYSA-N 2 0 299.415 -0.282 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)NC/C=C/C[NH3+])CC1 ZINC001349582100 890841227 /nfs/dbraw/zinc/84/12/27/890841227.db2.gz UJJVERGXRPNYMA-NSCUHMNNSA-N 2 0 270.377 -0.089 20 0 CBADRP O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CCOC2(C[NH2+]C2)C1 ZINC001349608110 890849722 /nfs/dbraw/zinc/84/97/22/890849722.db2.gz IAFMXMKCBAKJHM-VSQXVHSFSA-N 2 0 265.357 -0.257 20 0 CBADRP C[C@H](NC(=O)C1=NO[C@H](C[NH3+])C1)C1CC[NH2+]CC1 ZINC001349620996 890852873 /nfs/dbraw/zinc/85/28/73/890852873.db2.gz NRNRHQSTBHIEHU-WPRPVWTQSA-N 2 0 254.334 -0.406 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cn(CC(N)=O)nn2)C1 ZINC001349838747 890903145 /nfs/dbraw/zinc/90/31/45/890903145.db2.gz JFPGVQBYSXDPOI-JGZJWPJOSA-N 2 0 266.349 -0.807 20 0 CBADRP CCN(C(=O)CO[C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC001349909142 890912277 /nfs/dbraw/zinc/91/22/77/890912277.db2.gz USMMPTFCUIKUGR-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC001349981765 890918426 /nfs/dbraw/zinc/91/84/26/890918426.db2.gz FPWXJYVCOAHVRB-VXGBXAGGSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC001349981761 890919017 /nfs/dbraw/zinc/91/90/17/890919017.db2.gz FPWXJYVCOAHVRB-NWDGAFQWSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001349995934 890920267 /nfs/dbraw/zinc/92/02/67/890920267.db2.gz SWBBGUXOMCGEQL-ZDEQEGDKSA-N 2 0 294.399 -0.452 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC001349996096 890922468 /nfs/dbraw/zinc/92/24/68/890922468.db2.gz VJWBEZWKJGIDTD-NNYUYHANSA-N 2 0 282.388 -0.561 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001350045517 890929016 /nfs/dbraw/zinc/92/90/16/890929016.db2.gz KLHGPQHITOYJQG-IJLUTSLNSA-N 2 0 282.388 -0.560 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001350215249 890951165 /nfs/dbraw/zinc/95/11/65/890951165.db2.gz RTMDXTNCYALASU-LVEVGFFFSA-N 2 0 250.346 -0.260 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCC[NH3+])C1 ZINC001350331644 890963825 /nfs/dbraw/zinc/96/38/25/890963825.db2.gz AKYMCZJLEVKXRO-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP C[NH2+]CCN(C)C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001350396580 890977323 /nfs/dbraw/zinc/97/73/23/890977323.db2.gz DMHKXONHNYXSCC-SECBINFHSA-N 2 0 251.334 -0.222 20 0 CBADRP COCCOC1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC001350909503 891064784 /nfs/dbraw/zinc/06/47/84/891064784.db2.gz JSLBTYMGEVAOGK-DRZSPHRISA-N 2 0 258.362 -0.036 20 0 CBADRP COCc1noc([C@@H](C)N2CC[NH2+]CC[NH2+]CC2)n1 ZINC001350910304 891066754 /nfs/dbraw/zinc/06/67/54/891066754.db2.gz PEVAVPOAWFYKHX-SNVBAGLBSA-N 2 0 269.349 -0.228 20 0 CBADRP CS(=O)(=O)C[C@@H](O)C[NH2+]C1CCC(C[NH3+])CC1 ZINC001350955176 891077868 /nfs/dbraw/zinc/07/78/68/891077868.db2.gz HDBWMCRJYPMFKZ-ILDUYXDCSA-N 2 0 264.391 -0.501 20 0 CBADRP C[NH2+]CCOCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC001351678553 891170568 /nfs/dbraw/zinc/17/05/68/891170568.db2.gz CUMKSAIALZHUGG-MGPQQGTHSA-N 3 0 271.405 -0.031 20 0 CBADRP [NH3+][C@H](c1cn(C[C@@H]2C[NH2+]CCO2)nn1)[C@H]1CCCO1 ZINC001351755879 891182291 /nfs/dbraw/zinc/18/22/91/891182291.db2.gz KPHXOZZCVXAXRB-MVWJERBFSA-N 2 0 267.333 -0.555 20 0 CBADRP O=C(C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001351984051 891207446 /nfs/dbraw/zinc/20/74/46/891207446.db2.gz UVWBVSXEOXVFAZ-XQQFMLRXSA-N 2 0 292.383 -0.744 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001352011524 891215922 /nfs/dbraw/zinc/21/59/22/891215922.db2.gz XOPMMDMVSVRDHJ-IUCAKERBSA-N 2 0 251.334 -0.046 20 0 CBADRP [NH3+][C@H]1CC[C@H](C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC001352056280 891220390 /nfs/dbraw/zinc/22/03/90/891220390.db2.gz WYDMZAAJTMKVDY-IJLUTSLNSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH]cn1 ZINC001449203233 913539566 /nfs/dbraw/zinc/53/95/66/913539566.db2.gz XXKRYZAOYRPDLP-YPMHNXCESA-N 2 0 298.387 -0.526 20 0 CBADRP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC001352839568 891304570 /nfs/dbraw/zinc/30/45/70/891304570.db2.gz OWYUGMKWMYTHIA-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP CO[C@@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001449196858 913544113 /nfs/dbraw/zinc/54/41/13/913544113.db2.gz UNYAPSAQKSXBRK-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@@H]1CC[NH+]1C ZINC001352985901 891337684 /nfs/dbraw/zinc/33/76/84/891337684.db2.gz MXGLPTPJDSORHZ-WOPDTQHZSA-N 2 0 252.362 -0.805 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]([NH3+])Cc1ccccn1 ZINC001353003821 891341692 /nfs/dbraw/zinc/34/16/92/891341692.db2.gz GUYQEVYROZHONX-CMPLNLGQSA-N 2 0 250.346 -0.077 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC001353035937 891346533 /nfs/dbraw/zinc/34/65/33/891346533.db2.gz UQUAZHLEPIMTCB-STQMWFEESA-N 2 0 296.415 -0.264 20 0 CBADRP COCC[NH2+]CC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001353075361 891355867 /nfs/dbraw/zinc/35/58/67/891355867.db2.gz AXDMPECBDMGXHM-UHFFFAOYSA-N 2 0 294.359 -0.939 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001353201862 891381970 /nfs/dbraw/zinc/38/19/70/891381970.db2.gz WJIGWYMQSFGJRN-SNVBAGLBSA-N 2 0 268.361 -0.001 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@H]3C[C@H](C[NH3+])C3)CC[C@H]21 ZINC001353193311 891382212 /nfs/dbraw/zinc/38/22/12/891382212.db2.gz GSPSUGYEMFZUHE-FDYHWXHSSA-N 2 0 294.399 -0.608 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N[C@H]3C[C@H](C[NH3+])C3)CC[C@@H]21 ZINC001353193308 891382722 /nfs/dbraw/zinc/38/27/22/891382722.db2.gz GSPSUGYEMFZUHE-CYDGBPFRSA-N 2 0 294.399 -0.608 20 0 CBADRP CCN(C(=O)C(=O)NCC[N@H+](C)C1CC1)[C@H]1CC[NH2+]C1 ZINC001353274923 891391613 /nfs/dbraw/zinc/39/16/13/891391613.db2.gz ADCKKVCUDCEHMD-LBPRGKRZSA-N 2 0 282.388 -0.593 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC001353299299 891396761 /nfs/dbraw/zinc/39/67/61/891396761.db2.gz NCPDIJVKFYLCGD-QNWHQSFQSA-N 2 0 294.399 -0.417 20 0 CBADRP CCO[C@@H](CNC(=O)NCCC[NH2+]C)C[NH+](C)C ZINC001353414190 891422279 /nfs/dbraw/zinc/42/22/79/891422279.db2.gz QSNINNPWAJUEHP-NSHDSACASA-N 2 0 260.382 -0.138 20 0 CBADRP CCO[C@@H](CNC(=O)NCC(C)(C)[NH3+])C[NH+](C)C ZINC001353417123 891422561 /nfs/dbraw/zinc/42/25/61/891422561.db2.gz VPYMGSKOLNQZCJ-JTQLQIEISA-N 2 0 260.382 -0.010 20 0 CBADRP [NH3+]CCNC(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001353417543 891422843 /nfs/dbraw/zinc/42/28/43/891422843.db2.gz ZVYGAGPDDDBCCU-JTQLQIEISA-N 2 0 256.350 -0.516 20 0 CBADRP C[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H]1CC[NH3+] ZINC001353431749 891426007 /nfs/dbraw/zinc/42/60/07/891426007.db2.gz XQEOPRBVYSNCMT-JCIQBVFBSA-N 2 0 252.362 -0.170 20 0 CBADRP C[C@H](CCCC[NH3+])NC(=O)N1CCNCC[NH2+]CC1 ZINC001353430513 891426069 /nfs/dbraw/zinc/42/60/69/891426069.db2.gz QBTNOONGRSBBRW-GFCCVEGCSA-N 2 0 271.409 -0.292 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)NCCOCCC[NH3+] ZINC001353443381 891428063 /nfs/dbraw/zinc/42/80/63/891428063.db2.gz UJQLWQZOZFLFIC-GFCCVEGCSA-N 2 0 288.392 -0.628 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001353496713 891436031 /nfs/dbraw/zinc/43/60/31/891436031.db2.gz TYGPKODSASPTTF-MWLCHTKSSA-N 2 0 255.362 -0.315 20 0 CBADRP CC(C)([NH3+])CCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001353501635 891437520 /nfs/dbraw/zinc/43/75/20/891437520.db2.gz YVSDAKGETVMNJV-SNVBAGLBSA-N 2 0 258.366 -0.520 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC001353518639 891440074 /nfs/dbraw/zinc/44/00/74/891440074.db2.gz SCSIDPMJXMSRQD-GHMZBOCLSA-N 2 0 268.361 -0.360 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC001353535928 891443796 /nfs/dbraw/zinc/44/37/96/891443796.db2.gz WUGPBKDPUIBFTL-UMNHJUIQSA-N 2 0 257.378 -0.198 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC1([NH3+])CCC1 ZINC001353603038 891452392 /nfs/dbraw/zinc/45/23/92/891452392.db2.gz YHMKYNNYIBAIGQ-QWRGUYRKSA-N 2 0 252.362 -0.628 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC1([NH3+])CCC1 ZINC001353603034 891453100 /nfs/dbraw/zinc/45/31/00/891453100.db2.gz YHMKYNNYIBAIGQ-GHMZBOCLSA-N 2 0 252.362 -0.628 20 0 CBADRP [NH3+][C@H](CO)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001353655443 891455366 /nfs/dbraw/zinc/45/53/66/891455366.db2.gz PBTLNUPNVNPXFX-SNVBAGLBSA-N 2 0 251.286 -0.573 20 0 CBADRP [NH3+]CC[C@H](NC(=O)C[C@]1(O)CCC[NH2+]C1)C(F)F ZINC001353656222 891455805 /nfs/dbraw/zinc/45/58/05/891455805.db2.gz WOLHWNIIADQOEQ-GZMMTYOYSA-N 2 0 265.304 -0.410 20 0 CBADRP [NH3+]CCN(CCc1ccccc1)C(=O)C[C@@H](O)C[NH3+] ZINC001353646872 891455850 /nfs/dbraw/zinc/45/58/50/891455850.db2.gz VVGUXBAVLLFAQE-CYBMUJFWSA-N 2 0 265.357 -0.274 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N[C@H]2CC23CC[NH2+]CC3)C1=O ZINC001353655001 891456359 /nfs/dbraw/zinc/45/63/59/891456359.db2.gz NCTJVVUGSUROOM-NEPJUHHUSA-N 2 0 294.399 -0.558 20 0 CBADRP CN(C(=O)C[NH+]1CCC(CO)CC1)C1CC([NH3+])C1 ZINC001353655764 891456855 /nfs/dbraw/zinc/45/68/55/891456855.db2.gz SEMSIMSDIXGPHY-UHFFFAOYSA-N 2 0 255.362 -0.361 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001353655545 891456925 /nfs/dbraw/zinc/45/69/25/891456925.db2.gz QJTVSHGDUORZDL-YNEHKIRRSA-N 2 0 269.389 -0.066 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1C[NH2+]CCN1C ZINC001353727704 891467504 /nfs/dbraw/zinc/46/75/04/891467504.db2.gz LKPCOPCQQKNNRI-AGIUHOORSA-N 2 0 268.405 -0.311 20 0 CBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001353928598 891487227 /nfs/dbraw/zinc/48/72/27/891487227.db2.gz LVRABDZVWMPRKN-ZHPDPMBESA-N 2 0 267.373 -0.146 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001353949522 891491448 /nfs/dbraw/zinc/49/14/48/891491448.db2.gz UOIVFGBALAYRLA-NXEZZACHSA-N 2 0 255.362 -0.125 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)C23CC(C2)C[NH2+]3)CC1 ZINC001354168525 891525582 /nfs/dbraw/zinc/52/55/82/891525582.db2.gz KHDHUKKOXLCYAI-UHFFFAOYSA-N 2 0 267.373 -0.035 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC001354168088 891527811 /nfs/dbraw/zinc/52/78/11/891527811.db2.gz ACZWHYXDKRHZSQ-ZYHUDNBSSA-N 2 0 255.362 -0.192 20 0 CBADRP COCCOC[C@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC001354185755 891529764 /nfs/dbraw/zinc/52/97/64/891529764.db2.gz VNYWBSUGQILRGI-CYDGBPFRSA-N 2 0 258.362 -0.178 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001354179412 891530040 /nfs/dbraw/zinc/53/00/40/891530040.db2.gz MGNVXTYBNCPITI-CZXHOFHRSA-N 2 0 269.389 -0.210 20 0 CBADRP O=C(C[N@H+]1CCCCC[C@H]1CO)N1CC[NH2+]CC1 ZINC001354184991 891530410 /nfs/dbraw/zinc/53/04/10/891530410.db2.gz OWHNSWJFUKOVTR-LBPRGKRZSA-N 2 0 255.362 -0.345 20 0 CBADRP O=C(NCC1(O)C[NH2+]C1)c1cc2c(s1)C[NH2+]CC2 ZINC001354224037 891539595 /nfs/dbraw/zinc/53/95/95/891539595.db2.gz PGHPOZJGVJUYJF-UHFFFAOYSA-N 2 0 267.354 -0.542 20 0 CBADRP [NH3+]C1(CNC(=O)C[C@@]2(O)CCC[NH2+]C2)CCCC1 ZINC001354273684 891552966 /nfs/dbraw/zinc/55/29/66/891552966.db2.gz QTMAOWQGEQKAPX-ZDUSSCGKSA-N 2 0 255.362 -0.121 20 0 CBADRP C[C@@]1(NC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]C1 ZINC001354344395 891567496 /nfs/dbraw/zinc/56/74/96/891567496.db2.gz WGMQMQQFMANFLB-CHWSQXEVSA-N 2 0 266.345 -0.247 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC001354397229 891573587 /nfs/dbraw/zinc/57/35/87/891573587.db2.gz NJUJYNBBRQQASK-MGPQQGTHSA-N 2 0 299.415 -0.114 20 0 CBADRP [NH3+]CC1(NC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)CCOCC1 ZINC001354423700 891578465 /nfs/dbraw/zinc/57/84/65/891578465.db2.gz GMIDYMHQVJPJBX-YTWAJWBKSA-N 2 0 253.346 -0.406 20 0 CBADRP CSCC[C@H]([NH3+])CC(=O)NC[C@@H]1COCC[NH2+]1 ZINC001354409990 891578515 /nfs/dbraw/zinc/57/85/15/891578515.db2.gz KZERIACRVQZRSG-VHSXEESVSA-N 2 0 261.391 -0.439 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC001354461408 891583754 /nfs/dbraw/zinc/58/37/54/891583754.db2.gz HGUFEGXVMXLVDD-GMXVVIOVSA-N 2 0 255.362 -0.585 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC001354462300 891584748 /nfs/dbraw/zinc/58/47/48/891584748.db2.gz NPSTZEKMHMYWBJ-GXTWGEPZSA-N 2 0 265.357 -0.101 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC001354535149 891592627 /nfs/dbraw/zinc/59/26/27/891592627.db2.gz DIASKEOUGBHILW-ZYHUDNBSSA-N 2 0 263.341 -0.140 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2CCC[NH2+][C@H]2C1(C)C ZINC001354594596 891598535 /nfs/dbraw/zinc/59/85/35/891598535.db2.gz SKCQBDSVIVBPJB-LNFKQOIKSA-N 2 0 269.389 -0.023 20 0 CBADRP CC(C)C[NH2+]CC(=O)NCCN1CCC([NH3+])CC1 ZINC001354770752 891614853 /nfs/dbraw/zinc/61/48/53/891614853.db2.gz DBFHUFFCMGHELB-UHFFFAOYSA-N 2 0 256.394 -0.229 20 0 CBADRP CC1(C)CN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C[C@H]1[NH3+] ZINC001354803564 891618850 /nfs/dbraw/zinc/61/88/50/891618850.db2.gz CVCBJRDEGSYXAP-GYSYKLTISA-N 2 0 267.373 -0.192 20 0 CBADRP CC[C@H](CN1CCOCC1)NC(=O)COCC[NH3+] ZINC001354853533 891623198 /nfs/dbraw/zinc/62/31/98/891623198.db2.gz DKNYVNSHQMPSOM-LLVKDONJSA-N 2 0 259.350 -0.811 20 0 CBADRP C[NH2+][C@@H](CNC(=O)COCC[NH3+])Cc1ccccc1 ZINC001354894203 891627164 /nfs/dbraw/zinc/62/71/64/891627164.db2.gz SFIGEYATLOPKGB-CYBMUJFWSA-N 2 0 265.357 -0.091 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)N1NC(=O)CC12CC[NH2+]CC2 ZINC001354917206 891627375 /nfs/dbraw/zinc/62/73/75/891627375.db2.gz NUVSOIVHQMOZFR-SNVBAGLBSA-N 2 0 268.361 -0.240 20 0 CBADRP CC[NH2+]CC(=O)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001354894328 891627663 /nfs/dbraw/zinc/62/76/63/891627663.db2.gz UYHOLKZZUWKZJW-ZDUSSCGKSA-N 2 0 263.345 -0.408 20 0 CBADRP CNC(=O)C[NH2+]C1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001449390658 913577150 /nfs/dbraw/zinc/57/71/50/913577150.db2.gz XDAHNSHRNZEOBA-UHFFFAOYSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@@H](C(=O)N(C)C1CC([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001449391827 913577252 /nfs/dbraw/zinc/57/72/52/913577252.db2.gz DLNSJIULNORPPQ-BPCQOVAHSA-N 2 0 298.431 -0.006 20 0 CBADRP CCO[C@@H](CNC(=O)C[C@H](C[NH3+])OC)C[NH+](C)C ZINC001354943711 891631285 /nfs/dbraw/zinc/63/12/85/891631285.db2.gz MRWIJGQHBZDIPI-MNOVXSKESA-N 2 0 261.366 -0.567 20 0 CBADRP C[C@]1(C(=O)NCCCCCN2CC[NH2+]CC2)C[NH2+]CCO1 ZINC001354970545 891634048 /nfs/dbraw/zinc/63/40/48/891634048.db2.gz NISTWTCMCUUOEG-OAHLLOKOSA-N 2 0 298.431 -0.443 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001355042128 891640001 /nfs/dbraw/zinc/64/00/01/891640001.db2.gz HZGFLQNRFFRNBX-WDEREUQCSA-N 2 0 268.361 -0.948 20 0 CBADRP C[C@H](C(=O)N1CCC2(CC1)C[NH2+]CCO2)[NH+](C)C ZINC001355157881 891655646 /nfs/dbraw/zinc/65/56/46/891655646.db2.gz NLQHBYKHHBPMQI-LLVKDONJSA-N 2 0 255.362 -0.083 20 0 CBADRP Cc1ccc(NCCNC(=O)[C@@H]2C[NH2+]CCN2C)nc1 ZINC001355171699 891658322 /nfs/dbraw/zinc/65/83/22/891658322.db2.gz YPOLGLCQZATREC-LBPRGKRZSA-N 2 0 277.372 -0.178 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NCC2([NH3+])CC2)CC1=O ZINC001355297791 891668175 /nfs/dbraw/zinc/66/81/75/891668175.db2.gz JICVTLOPCWAJSU-SNVBAGLBSA-N 2 0 268.361 -0.996 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001355488582 891684975 /nfs/dbraw/zinc/68/49/75/891684975.db2.gz OWYBQXYWXLAAJY-ZZZDWPBISA-N 2 0 253.346 -0.238 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C[C@H](C[NH3+])OC ZINC001355557984 891688941 /nfs/dbraw/zinc/68/89/41/891688941.db2.gz DJJBRHMPQTYNAF-WDEREUQCSA-N 2 0 259.350 -0.813 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001355817812 891708412 /nfs/dbraw/zinc/70/84/12/891708412.db2.gz DPTQFSSPHISFAH-VXGBXAGGSA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@H](NC(=O)CC[NH2+]C1CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001356252696 891743762 /nfs/dbraw/zinc/74/37/62/891743762.db2.gz JRQRAANKDDEGDX-AAEUAGOBSA-N 2 0 268.405 -0.121 20 0 CBADRP CN(C(=O)[C@@H]1[NH2+]CC12CCOCC2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001356369577 891751264 /nfs/dbraw/zinc/75/12/64/891751264.db2.gz KFTNQHZMWKYNNT-QCNOEVLYSA-N 2 0 265.357 -0.569 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)[C@@H]3OCC[C@@H]3[NH3+])[C@@H]2C1 ZINC001356414314 891755976 /nfs/dbraw/zinc/75/59/76/891755976.db2.gz XMYLEUZOHUASNY-RNWYCLNJSA-N 2 0 253.346 -0.441 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3OCC[C@@H]3[NH3+])[C@@H]2C1 ZINC001356414313 891756551 /nfs/dbraw/zinc/75/65/51/891756551.db2.gz XMYLEUZOHUASNY-KZZRWZIVSA-N 2 0 253.346 -0.441 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001356452769 891763255 /nfs/dbraw/zinc/76/32/55/891763255.db2.gz BTEQKPIDJIJUOJ-RYUDHWBXSA-N 2 0 256.394 -0.229 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)Cc2csc(C[NH3+])n2)C1 ZINC001356498425 891772086 /nfs/dbraw/zinc/77/20/86/891772086.db2.gz FLTYWEHQPXIYQO-MRVPVSSYSA-N 2 0 254.359 -0.035 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]CC1 ZINC001356511748 891772813 /nfs/dbraw/zinc/77/28/13/891772813.db2.gz NQRNOBIRLWUWBD-WDEREUQCSA-N 2 0 257.378 -0.019 20 0 CBADRP C[NH+]1CCN(CCC[NH2+]C[C@@H](O)CC(C)(C)O)CC1 ZINC001356544301 891777317 /nfs/dbraw/zinc/77/73/17/891777317.db2.gz CZOJMTPZOAUBSN-ZDUSSCGKSA-N 2 0 273.421 -0.265 20 0 CBADRP C[C@@H](C[NH2+]C[C@H](O)C1(O)CCOCC1)C[NH+](C)C ZINC001356595922 891780948 /nfs/dbraw/zinc/78/09/48/891780948.db2.gz LBVDYHRHTWNYMM-RYUDHWBXSA-N 2 0 260.378 -0.324 20 0 CBADRP CSC[C@H](O)C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC001356584957 891780269 /nfs/dbraw/zinc/78/02/69/891780269.db2.gz QKLYLIOWHWCNAP-VXGBXAGGSA-N 2 0 261.435 -0.064 20 0 CBADRP CCOCC[C@H](O)C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC001356582831 891780415 /nfs/dbraw/zinc/78/04/15/891780415.db2.gz GYYZXWZVMGFUNO-KBPBESRZSA-N 2 0 273.421 -0.001 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)N2CCNCC[NH2+]CC2)CC[N@@H+]1C ZINC001357241679 891860674 /nfs/dbraw/zinc/86/06/74/891860674.db2.gz JYFCOFRZEDMAPB-OLZOCXBDSA-N 2 0 283.420 -0.327 20 0 CBADRP O=C(C[NH2+]C[C@H](O)C1CC1)NCC[NH+]1CCCCC1 ZINC001357211152 891862974 /nfs/dbraw/zinc/86/29/74/891862974.db2.gz SRZRKWWRZDASEJ-ZDUSSCGKSA-N 2 0 269.389 -0.051 20 0 CBADRP [NH3+]CC1(C(=O)N2CC[NH+](CC3CC3)CC2)CC(O)C1 ZINC001357363010 891874014 /nfs/dbraw/zinc/87/40/14/891874014.db2.gz VTGGCZXNWJMLCM-UHFFFAOYSA-N 2 0 267.373 -0.360 20 0 CBADRP C[C@@H]1C[N@@H+](CCCCNC(=O)C[C@@H](O)C[NH3+])C[C@H](C)O1 ZINC001357366146 891875801 /nfs/dbraw/zinc/87/58/01/891875801.db2.gz FFBYBGGFIIMTOU-FRRDWIJNSA-N 2 0 287.404 -0.298 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCCCC[NH+](C)C ZINC001357363175 891876267 /nfs/dbraw/zinc/87/62/67/891876267.db2.gz XAATVBJBFVYLHS-CYBMUJFWSA-N 2 0 286.420 -0.066 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[N@@H+]1C ZINC001357405576 891887107 /nfs/dbraw/zinc/88/71/07/891887107.db2.gz TXHODYTZFXBJAO-AGIUHOORSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)C[C@H]1CN(C(=O)CNCC[NH3+])c2ccccc2O1 ZINC001357429419 891889934 /nfs/dbraw/zinc/88/99/34/891889934.db2.gz ZPMPKLXYTXSMMO-LBPRGKRZSA-N 2 0 292.383 -0.110 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)[C@@H](C)C[NH2+]1 ZINC001357443563 891893781 /nfs/dbraw/zinc/89/37/81/891893781.db2.gz CFAPPECGUXZPSO-WOPDTQHZSA-N 2 0 282.388 -0.608 20 0 CBADRP C[N@@H+]1CCCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001357453245 891894333 /nfs/dbraw/zinc/89/43/33/891894333.db2.gz MEMAOFGXJJINEK-LBPRGKRZSA-N 2 0 282.388 -0.652 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC001357453056 891894647 /nfs/dbraw/zinc/89/46/47/891894647.db2.gz LHWPDAGIMHQDNL-NXEZZACHSA-N 2 0 257.334 -0.475 20 0 CBADRP C[C@@]1(C(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@H](O)C[NH2+]1 ZINC001357475012 891904727 /nfs/dbraw/zinc/90/47/27/891904727.db2.gz SICWUVUCDFKQOA-AAEUAGOBSA-N 2 0 267.373 -0.299 20 0 CBADRP C[NH2+]CCN(C(=O)NC[C@H]1COCC[NH2+]1)C(C)C ZINC001357519444 891911315 /nfs/dbraw/zinc/91/13/15/891911315.db2.gz UYVCLKCALISMJM-NSHDSACASA-N 2 0 258.366 -0.386 20 0 CBADRP [NH3+]C1CC(CC(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC001357546971 891912659 /nfs/dbraw/zinc/91/26/59/891912659.db2.gz ZDWFGDNALALIED-UHFFFAOYSA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC001357572927 891913587 /nfs/dbraw/zinc/91/35/87/891913587.db2.gz MPGZPLMCTIIQLZ-PWSUYJOCSA-N 2 0 257.378 -0.245 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCCN1CCC([NH3+])CC1 ZINC001357583507 891917427 /nfs/dbraw/zinc/91/74/27/891917427.db2.gz VIQPNYZQIMBPBJ-JQWIXIFHSA-N 2 0 269.393 -0.459 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC001357613691 891919320 /nfs/dbraw/zinc/91/93/20/891919320.db2.gz YVUBOCNHFSZJNM-QJPTWQEYSA-N 2 0 255.362 -0.313 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)NCCNc2cc[nH+]cc2)C1 ZINC001357740469 891934059 /nfs/dbraw/zinc/93/40/59/891934059.db2.gz NCWVQTXCQOVPEM-UMSPYCQHSA-N 2 0 263.345 -0.048 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC001357810773 891936112 /nfs/dbraw/zinc/93/61/12/891936112.db2.gz MKHJWBKNFDVBRS-OPRDCNLKSA-N 2 0 257.334 -0.395 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCC2(C[NH2+]C2)CC1 ZINC001357811098 891936490 /nfs/dbraw/zinc/93/64/90/891936490.db2.gz HUECQGJOKCYUNO-LLVKDONJSA-N 2 0 253.346 -0.423 20 0 CBADRP C[C@@H]1[NH2+]CCn2c(C(=O)NCC3(O)C[NH2+]C3)ccc21 ZINC001357821031 891936873 /nfs/dbraw/zinc/93/68/73/891936873.db2.gz OUMGZFQLKXFTCX-VIFPVBQESA-N 2 0 264.329 -0.784 20 0 CBADRP O=C(N1CCOC2(C[NH2+]C2)C1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001357910704 891943532 /nfs/dbraw/zinc/94/35/32/891943532.db2.gz QDPDFAWYMXYDHO-GWCFXTLKSA-N 2 0 251.330 -0.813 20 0 CBADRP C[C@@H]1[NH2+]CCn2c(C(=O)N[C@@H]3C[NH2+]C[C@@H]3O)ccc21 ZINC001357888767 891944033 /nfs/dbraw/zinc/94/40/33/891944033.db2.gz FXMQGFJTQGZJBR-SBMIAAHKSA-N 2 0 264.329 -0.785 20 0 CBADRP C[NH2+]CCOc1ccccc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001357888258 891944386 /nfs/dbraw/zinc/94/43/86/891944386.db2.gz AZLZLIIBDDGAOJ-NEPJUHHUSA-N 2 0 279.340 -0.653 20 0 CBADRP [NH3+]C1(CNC(=O)[C@]23C[C@H]2CCC[NH2+]3)CCOCC1 ZINC001357924373 891947775 /nfs/dbraw/zinc/94/77/75/891947775.db2.gz FXDFCWRLPLUGRL-MFKMUULPSA-N 2 0 253.346 -0.247 20 0 CBADRP [NH3+]CCCSCCC(=O)NC[C@@H]1COCC[NH2+]1 ZINC001357939737 891948441 /nfs/dbraw/zinc/94/84/41/891948441.db2.gz XITYMXFGJDEEFA-SNVBAGLBSA-N 2 0 261.391 -0.437 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001357967067 891951283 /nfs/dbraw/zinc/95/12/83/891951283.db2.gz PEEUKPVHSNNLFC-NWDGAFQWSA-N 2 0 257.378 -0.102 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[NH2+]CCC12CCC2 ZINC001357967648 891954840 /nfs/dbraw/zinc/95/48/40/891954840.db2.gz ZIYCFDFOEVFURU-RYUDHWBXSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001358070636 891969303 /nfs/dbraw/zinc/96/93/03/891969303.db2.gz WUVUKVUNJNRILX-NDBYEHHHSA-N 2 0 266.389 -0.654 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC001358118239 891971805 /nfs/dbraw/zinc/97/18/05/891971805.db2.gz AZJQUKNRKKASLB-LBPRGKRZSA-N 2 0 254.378 -0.332 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001358095094 891973255 /nfs/dbraw/zinc/97/32/55/891973255.db2.gz YCSVBLUTPBGIEN-DDHJBXDOSA-N 2 0 257.378 -0.354 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)CO[C@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC001358187268 891978874 /nfs/dbraw/zinc/97/88/74/891978874.db2.gz VXBNCOSVLIAKCP-WOPDTQHZSA-N 2 0 255.362 -0.036 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001358212805 891982305 /nfs/dbraw/zinc/98/23/05/891982305.db2.gz GJCFZVDJAIDVIG-NSHDSACASA-N 2 0 299.371 -0.976 20 0 CBADRP O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC001358239558 891982485 /nfs/dbraw/zinc/98/24/85/891982485.db2.gz MGRWCOPGPDLUKG-NSHDSACASA-N 2 0 292.387 -0.878 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)C1 ZINC001358238988 891983582 /nfs/dbraw/zinc/98/35/82/891983582.db2.gz VQQZQTXHDZHYEN-DRZSPHRISA-N 2 0 253.346 -0.702 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001358224702 891983921 /nfs/dbraw/zinc/98/39/21/891983921.db2.gz SKKRYVMVWUPKSA-NSHDSACASA-N 2 0 254.378 -0.747 20 0 CBADRP [NH3+]C1(C(=O)N2CCNCC[NH2+]CC2)CC2(CCC2)C1 ZINC001358240181 891987621 /nfs/dbraw/zinc/98/76/21/891987621.db2.gz SJGDFNZPXUVFFZ-UHFFFAOYSA-N 2 0 266.389 -0.331 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC001358393755 892001773 /nfs/dbraw/zinc/00/17/73/892001773.db2.gz KIWGMSMXMUBLQN-WCQYABFASA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001450353341 913686064 /nfs/dbraw/zinc/68/60/64/913686064.db2.gz UCQKHLNDCOQDBS-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@@H](NC(=O)CC[NH+](C)C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001450387334 913687637 /nfs/dbraw/zinc/68/76/37/913687637.db2.gz NMOVHFNZHXKBGE-GFCCVEGCSA-N 2 0 298.431 -0.147 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)C[C@H](C)[NH2+]1 ZINC001363024405 893276508 /nfs/dbraw/zinc/27/65/08/893276508.db2.gz PROFPCRPAGOYIU-DGAVXFQQSA-N 2 0 280.416 -0.026 20 0 CBADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@]3(CCOC3=O)C2)CC1 ZINC001363313369 893572556 /nfs/dbraw/zinc/57/25/56/893572556.db2.gz OVCJVOKUUAKOKK-HNNXBMFYSA-N 2 0 295.383 -0.164 20 0 CBADRP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](CO)[C@@H](CCO)C2)CC1 ZINC001363336951 893597686 /nfs/dbraw/zinc/59/76/86/893597686.db2.gz XUWXYMBRKRPODP-QWHCGFSZSA-N 2 0 299.415 -0.881 20 0 CBADRP C[NH+](C)C[C@]1(O)CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C1 ZINC001363676382 893903537 /nfs/dbraw/zinc/90/35/37/893903537.db2.gz MOFDHEAZXVNRHX-UMVBOHGHSA-N 2 0 299.415 -0.643 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H]3CNC(=O)C3)CC2)C1 ZINC001363789393 893996535 /nfs/dbraw/zinc/99/65/35/893996535.db2.gz DBIYYHTWXMWISA-KGLIPLIRSA-N 2 0 280.416 -0.166 20 0 CBADRP CN1CCN(C(=O)CC[N@H+](C)CCn2cnnc2)CC1 ZINC001363811270 894018700 /nfs/dbraw/zinc/01/87/00/894018700.db2.gz KLXNZAMVLYXOLE-UHFFFAOYSA-N 2 0 280.376 -0.626 20 0 CBADRP Nc1nc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)nc(N)[nH+]1 ZINC001364225165 894265884 /nfs/dbraw/zinc/26/58/84/894265884.db2.gz KIUMEVVMEKTYRE-SNVBAGLBSA-N 2 0 293.375 -0.227 20 0 CBADRP COC[C@@]1(CO)CC[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC001364410922 894398327 /nfs/dbraw/zinc/39/83/27/894398327.db2.gz IJVYIQHEXWLEJN-HNNXBMFYSA-N 2 0 299.415 -0.519 20 0 CBADRP COC[C@]1(CO)CC[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC001364410923 894400707 /nfs/dbraw/zinc/40/07/07/894400707.db2.gz IJVYIQHEXWLEJN-OAHLLOKOSA-N 2 0 299.415 -0.519 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@H]1C[NH+](C)CC1(C)C ZINC001364955787 894699009 /nfs/dbraw/zinc/69/90/09/894699009.db2.gz RNPKQVBLSPCKGQ-AGIUHOORSA-N 2 0 280.416 -0.169 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1nc(N)n[nH]1 ZINC001365238019 894837393 /nfs/dbraw/zinc/83/73/93/894837393.db2.gz HXTFCKRQXCCQEC-UHFFFAOYSA-N 2 0 298.395 -0.978 20 0 CBADRP CN(CCC[N@H+](C)C[C@H](O)C(C)(C)O)CC[NH+](C)C ZINC001365305467 894884977 /nfs/dbraw/zinc/88/49/77/894884977.db2.gz VJFYUZIPCWNPJS-ZDUSSCGKSA-N 2 0 275.437 -0.067 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001365812671 895126383 /nfs/dbraw/zinc/12/63/83/895126383.db2.gz XYHCWUIUUYGVEQ-ZIAGYGMSSA-N 2 0 299.415 -0.378 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001365850404 895131419 /nfs/dbraw/zinc/13/14/19/895131419.db2.gz XXJDSVZFNOHGPO-FDYHWXHSSA-N 2 0 296.415 -0.301 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001365838031 895131727 /nfs/dbraw/zinc/13/17/27/895131727.db2.gz GUDVRXXSSAXYPF-NQBHXWOUSA-N 2 0 284.404 -0.458 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001365850411 895132381 /nfs/dbraw/zinc/13/23/81/895132381.db2.gz XYBCTLYTAVXSKJ-BJDJZHNGSA-N 2 0 284.404 -0.315 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001365993201 895166118 /nfs/dbraw/zinc/16/61/18/895166118.db2.gz VHADYKGRERDCDJ-RYUDHWBXSA-N 2 0 275.368 -0.151 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CCCO)C1 ZINC001366001848 895170847 /nfs/dbraw/zinc/17/08/47/895170847.db2.gz GBRAJSANPKDAGH-UONOGXRCSA-N 2 0 299.415 -0.472 20 0 CBADRP CNC(=O)C[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001366078875 895186113 /nfs/dbraw/zinc/18/61/13/895186113.db2.gz FWAKFABBGBWQHO-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001366082993 895186457 /nfs/dbraw/zinc/18/64/57/895186457.db2.gz REFARDHNQDJERP-QWHCGFSZSA-N 2 0 298.431 -0.018 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001366095312 895188161 /nfs/dbraw/zinc/18/81/61/895188161.db2.gz YGUFRMFLEUBYDW-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001366098326 895191418 /nfs/dbraw/zinc/19/14/18/895191418.db2.gz OGWXZBMCXYYVRW-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001366142437 895204074 /nfs/dbraw/zinc/20/40/74/895204074.db2.gz OJEVYYPYTVRDQS-XQQFMLRXSA-N 2 0 296.415 -0.204 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001366141096 895206937 /nfs/dbraw/zinc/20/69/37/895206937.db2.gz IHLNAXFVGJWFLX-XQHKEYJVSA-N 2 0 285.388 -0.675 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001366149584 895209903 /nfs/dbraw/zinc/20/99/03/895209903.db2.gz KLATXTCMIGIUNM-TXEJJXNPSA-N 2 0 296.415 -0.204 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001366170043 895212332 /nfs/dbraw/zinc/21/23/32/895212332.db2.gz XDEYCDRXCLZXAE-XQQFMLRXSA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC001366173931 895213118 /nfs/dbraw/zinc/21/31/18/895213118.db2.gz WEXFDXUZHLWAST-WISYIIOYSA-N 2 0 284.404 -0.317 20 0 CBADRP C[NH+](C)CCC(=O)NC1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001366252370 895235148 /nfs/dbraw/zinc/23/51/48/895235148.db2.gz VZIJHCJGNFRAFT-WXRRBKDZSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@H]([NH2+][C@@H](C)CNC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001366281495 895260306 /nfs/dbraw/zinc/26/03/06/895260306.db2.gz AWLROGLCHABJNL-JQWIXIFHSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]CC(=O)N1CCC1 ZINC001366325650 895274293 /nfs/dbraw/zinc/27/42/93/895274293.db2.gz MNVAANXCXXIZNJ-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001366320312 895277210 /nfs/dbraw/zinc/27/72/10/895277210.db2.gz BMCBMLSGVUYRLX-WDEREUQCSA-N 2 0 272.393 -0.443 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001366330242 895280769 /nfs/dbraw/zinc/28/07/69/895280769.db2.gz YTRWNOKGEGCQQN-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001366348293 895288457 /nfs/dbraw/zinc/28/84/57/895288457.db2.gz SXLPHFPCBIMLKH-MNOVXSKESA-N 2 0 270.377 -0.832 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCn1cncn1 ZINC001366356909 895290344 /nfs/dbraw/zinc/29/03/44/895290344.db2.gz JJTOOHAJAWZHED-VXGBXAGGSA-N 2 0 280.376 -0.676 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC1CC1)[NH+](C)C ZINC001366349111 895291097 /nfs/dbraw/zinc/29/10/97/895291097.db2.gz VAVJJRJXQQYAGG-SMDDNHRTSA-N 2 0 298.431 -0.055 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCn1cncn1 ZINC001366356907 895291375 /nfs/dbraw/zinc/29/13/75/895291375.db2.gz JJTOOHAJAWZHED-NWDGAFQWSA-N 2 0 280.376 -0.676 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC1CC1)[NH+](C)C ZINC001366349104 895291462 /nfs/dbraw/zinc/29/14/62/895291462.db2.gz VAVJJRJXQQYAGG-FZMZJTMJSA-N 2 0 298.431 -0.055 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCn1cncn1 ZINC001366356906 895292147 /nfs/dbraw/zinc/29/21/47/895292147.db2.gz JJTOOHAJAWZHED-NEPJUHHUSA-N 2 0 280.376 -0.676 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001366382147 895299697 /nfs/dbraw/zinc/29/96/97/895299697.db2.gz MDJCLNHAMYDSSQ-STQMWFEESA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@H]([NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001366401279 895311828 /nfs/dbraw/zinc/31/18/28/895311828.db2.gz LMCCWGGXAYDMMM-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001366411620 895312950 /nfs/dbraw/zinc/31/29/50/895312950.db2.gz MHLNQLZIFMOLIP-RYUDHWBXSA-N 2 0 282.388 -0.748 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001366462644 895328109 /nfs/dbraw/zinc/32/81/09/895328109.db2.gz GXKQHGIYVGAPRA-GRYCIOLGSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)C[N@H+](C)C1CCC1)C(=O)N(C)C ZINC001366764904 895453618 /nfs/dbraw/zinc/45/36/18/895453618.db2.gz CQUOJHYSWODLMR-GFCCVEGCSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001366871700 895474077 /nfs/dbraw/zinc/47/40/77/895474077.db2.gz OZWDPOVGNPYPAO-RYUDHWBXSA-N 2 0 293.371 -0.463 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)CC(=O)NC)C1 ZINC001366881425 895478120 /nfs/dbraw/zinc/47/81/20/895478120.db2.gz SBKHIJQVYSBLQF-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001366907041 895480404 /nfs/dbraw/zinc/48/04/04/895480404.db2.gz GEJKIWLFCAFERZ-HZSPNIEDSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001366974284 895513589 /nfs/dbraw/zinc/51/35/89/895513589.db2.gz QEMGQOVYAVUXKC-KGLIPLIRSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001366987538 895517685 /nfs/dbraw/zinc/51/76/85/895517685.db2.gz DSEMHDNNUWTOJM-CHWSQXEVSA-N 2 0 299.415 -0.617 20 0 CBADRP COC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001367001024 895520302 /nfs/dbraw/zinc/52/03/02/895520302.db2.gz VTEMQMXBHGENPT-XDQVBPFNSA-N 2 0 297.399 -0.770 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001366996311 895521078 /nfs/dbraw/zinc/52/10/78/895521078.db2.gz MBQNXKFQCUFQCD-AGIUHOORSA-N 2 0 281.400 -0.006 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001367032445 895538917 /nfs/dbraw/zinc/53/89/17/895538917.db2.gz KOUJDUOEHKVSMZ-KGLIPLIRSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](C[C@H](O)COC)C1 ZINC001367036664 895541098 /nfs/dbraw/zinc/54/10/98/895541098.db2.gz YNECIKNISBMMCX-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[C@@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]CCO ZINC001367133459 895575323 /nfs/dbraw/zinc/57/53/23/895575323.db2.gz CNJMQGIBZMMYBB-LBPRGKRZSA-N 2 0 287.404 -0.426 20 0 CBADRP CC[C@@H](C(=O)N[C@](C)(C[NH2+]CC(=O)NC)C1CC1)[NH+](C)C ZINC001367175398 895577104 /nfs/dbraw/zinc/57/71/04/895577104.db2.gz HUSFHIZYLOBVOB-SWLSCSKDSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@H](C(=O)NC1(C[NH2+]CC(N)=O)CCCC1)[NH+](C)C ZINC001367165214 895577997 /nfs/dbraw/zinc/57/79/97/895577997.db2.gz YRTVSFJTFFOKSW-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@@H](CNC(=O)CC[N@H+](C)CC)[NH2+][C@H]1CCNC1=O ZINC001367145900 895579079 /nfs/dbraw/zinc/57/90/79/895579079.db2.gz VCAGCCXKEQYYDS-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001367217605 895583558 /nfs/dbraw/zinc/58/35/58/895583558.db2.gz RVTXOCLYUXMLEG-HZSPNIEDSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CC(=O)NC1CC1 ZINC001367230889 895589727 /nfs/dbraw/zinc/58/97/27/895589727.db2.gz CUKGUVUMLHHEDN-DGCLKSJQSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+][C@H]1CCN(C)C1=O ZINC001367286024 895604596 /nfs/dbraw/zinc/60/45/96/895604596.db2.gz HMJIFSGRXCEVBQ-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367290000 895605961 /nfs/dbraw/zinc/60/59/61/895605961.db2.gz NQNGRDLYEHNAOQ-CHWSQXEVSA-N 2 0 298.431 -0.194 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+][C@@H]1CCCNC1=O ZINC001367298315 895608107 /nfs/dbraw/zinc/60/81/07/895608107.db2.gz XNTIFNGBIOQXSL-QWHCGFSZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001367440392 895635974 /nfs/dbraw/zinc/63/59/74/895635974.db2.gz GBLPWUDVQFSODC-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001367423909 895636365 /nfs/dbraw/zinc/63/63/65/895636365.db2.gz RMMZGGJQKWMNID-JHJVBQTASA-N 2 0 298.431 -0.149 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001367423910 895636697 /nfs/dbraw/zinc/63/66/97/895636697.db2.gz RMMZGGJQKWMNID-YNEHKIRRSA-N 2 0 298.431 -0.149 20 0 CBADRP CC(C)[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(N)=O ZINC001367481989 895642095 /nfs/dbraw/zinc/64/20/95/895642095.db2.gz QPSWETDCGSBGKB-NSHDSACASA-N 2 0 284.404 -0.456 20 0 CBADRP Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001367599926 895693819 /nfs/dbraw/zinc/69/38/19/895693819.db2.gz CSERSWFSFJFCIE-WCQYABFASA-N 2 0 296.371 -0.356 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccnc1)[NH+](C)C ZINC001367617528 895704904 /nfs/dbraw/zinc/70/49/04/895704904.db2.gz BVLZVTUVXFOPPT-KBPBESRZSA-N 2 0 294.399 -0.012 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccnc1)[NH+](C)C ZINC001367617530 895706431 /nfs/dbraw/zinc/70/64/31/895706431.db2.gz BVLZVTUVXFOPPT-UONOGXRCSA-N 2 0 294.399 -0.012 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnoc1C)[NH+](C)C ZINC001367622384 895710220 /nfs/dbraw/zinc/71/02/20/895710220.db2.gz MSJYWUYVMZSRNN-QWHCGFSZSA-N 2 0 298.387 -0.110 20 0 CBADRP COC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001367627553 895713961 /nfs/dbraw/zinc/71/39/61/895713961.db2.gz VLKXOEGZYUQOBI-VXGBXAGGSA-N 2 0 285.388 -0.816 20 0 CBADRP C[C@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)CCC[NH+](C)C ZINC001367644688 895720071 /nfs/dbraw/zinc/72/00/71/895720071.db2.gz LUISBGFSMBYPMY-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001367671531 895738195 /nfs/dbraw/zinc/73/81/95/895738195.db2.gz ZBTGYTHXDLZLSX-FDYHWXHSSA-N 2 0 287.404 -0.572 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)CCC[NH+](C)C ZINC001367691808 895749744 /nfs/dbraw/zinc/74/97/44/895749744.db2.gz OIJWAKRWCOAKHV-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001367755411 895788620 /nfs/dbraw/zinc/78/86/20/895788620.db2.gz VZXYAWCGQBEAAR-DCAQKATOSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C[NH+]1CCC(C)CC1 ZINC001367764520 895796629 /nfs/dbraw/zinc/79/66/29/895796629.db2.gz VXWRDGIAAKYQFI-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC1CC1)[NH+](C)C ZINC001367767593 895797977 /nfs/dbraw/zinc/79/79/77/895797977.db2.gz NBFCUQYMMGCGCI-JQWIXIFHSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)CC[N@@H+]1C ZINC001367907057 895849182 /nfs/dbraw/zinc/84/91/82/895849182.db2.gz LGSUTZWKPGVJAB-DRZSPHRISA-N 2 0 296.415 -0.314 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001367897883 895850023 /nfs/dbraw/zinc/85/00/23/895850023.db2.gz SZNLPAMKKVZPCF-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001367926903 895853516 /nfs/dbraw/zinc/85/35/16/895853516.db2.gz WDAYDEKXSYTCRM-NWDGAFQWSA-N 2 0 282.388 -0.832 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001367922312 895855862 /nfs/dbraw/zinc/85/58/62/895855862.db2.gz UIQHARNKNFJUSZ-OLZOCXBDSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]([NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CC1)C(N)=O ZINC001367915399 895856122 /nfs/dbraw/zinc/85/61/22/895856122.db2.gz ZSUYAXFDHRPCPH-ONGXEEELSA-N 2 0 270.377 -0.704 20 0 CBADRP C[NH+]1CCC(OCC(=O)NC[C@H]2CC[N@@H+]2CCCO)CC1 ZINC001367968478 895873057 /nfs/dbraw/zinc/87/30/57/895873057.db2.gz NHJZOQJYPKSSSW-CYBMUJFWSA-N 2 0 299.415 -0.330 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1)C(N)=O ZINC001368002832 895888055 /nfs/dbraw/zinc/88/80/55/895888055.db2.gz LNJFIUKREVUNJR-PWSUYJOCSA-N 2 0 294.399 -0.560 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001368002634 895888509 /nfs/dbraw/zinc/88/85/09/895888509.db2.gz KVLNMZMFHYSJHF-LLVKDONJSA-N 2 0 296.415 -0.156 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)NC2CC2)CC1 ZINC001368022775 895891960 /nfs/dbraw/zinc/89/19/60/895891960.db2.gz OFFCSPXAPZBCFU-GFCCVEGCSA-N 2 0 294.399 -0.402 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)CCC[NH+](C)C)CC1 ZINC001368022551 895893517 /nfs/dbraw/zinc/89/35/17/895893517.db2.gz MVIKMHRFVAUQHA-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001368035595 895896178 /nfs/dbraw/zinc/89/61/78/895896178.db2.gz ODZVVYXZROFFEF-GFCCVEGCSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC ZINC001368117205 895918643 /nfs/dbraw/zinc/91/86/43/895918643.db2.gz ABJITXNPKMMIAE-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001368407467 896002304 /nfs/dbraw/zinc/00/23/04/896002304.db2.gz VJXUZOWDQSYVCY-BFHYXJOUSA-N 2 0 299.415 -0.379 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001368407471 896005328 /nfs/dbraw/zinc/00/53/28/896005328.db2.gz VJXUZOWDQSYVCY-HZSPNIEDSA-N 2 0 299.415 -0.379 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001368549415 896032917 /nfs/dbraw/zinc/03/29/17/896032917.db2.gz NDYSOOIYFFKIEN-AVGNSLFASA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001368551202 896036020 /nfs/dbraw/zinc/03/60/20/896036020.db2.gz ZGRUIVGDVVOXMA-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CN(CCC[N@H+](C)CC(N)=O)C(=O)CC1CC[NH+](C)CC1 ZINC001368561170 896037035 /nfs/dbraw/zinc/03/70/35/896037035.db2.gz SYJJQJPUBRKJEY-UHFFFAOYSA-N 2 0 298.431 -0.016 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001368580000 896042397 /nfs/dbraw/zinc/04/23/97/896042397.db2.gz MECQKALQFGPPAL-SRVKXCTJSA-N 2 0 284.404 -0.314 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001368609088 896044394 /nfs/dbraw/zinc/04/43/94/896044394.db2.gz BYGRZQOMPTWEOW-TZMCWYRMSA-N 2 0 285.388 -0.984 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@](CO)([NH2+]CCO)C1)[NH+](C)C ZINC001368617602 896049194 /nfs/dbraw/zinc/04/91/94/896049194.db2.gz AZHAYERKEGWXGC-OCCSQVGLSA-N 2 0 287.404 -0.738 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NCC)C1 ZINC001368663833 896054834 /nfs/dbraw/zinc/05/48/34/896054834.db2.gz FLKGJCMWBGHELY-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CC(N)=O ZINC001368654081 896056195 /nfs/dbraw/zinc/05/61/95/896056195.db2.gz NQZBWRUPQJRRJC-NWDGAFQWSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)N(C)C ZINC001368735635 896071935 /nfs/dbraw/zinc/07/19/35/896071935.db2.gz PLOSGZJLHODFLY-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP COCC[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001368765495 896080138 /nfs/dbraw/zinc/08/01/38/896080138.db2.gz CVMSWVHOFOMRJS-CYBMUJFWSA-N 2 0 299.415 -0.330 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001368807815 896089715 /nfs/dbraw/zinc/08/97/15/896089715.db2.gz JFDQVKBIFKIUPB-WXRRBKDZSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001368887580 896104075 /nfs/dbraw/zinc/10/40/75/896104075.db2.gz LCWMIPNKKYHOGC-NEPJUHHUSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]CC(N)=O ZINC001368887581 896104804 /nfs/dbraw/zinc/10/48/04/896104804.db2.gz LCWMIPNKKYHOGC-NWDGAFQWSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(=O)NC)C1)[NH+](C)C ZINC001369178903 896165453 /nfs/dbraw/zinc/16/54/53/896165453.db2.gz GGWBFQSDHJKHPU-FDYHWXHSSA-N 2 0 298.431 -0.055 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001369298256 896190239 /nfs/dbraw/zinc/19/02/39/896190239.db2.gz SKOSTFMRNQBKQB-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001369294950 896191225 /nfs/dbraw/zinc/19/12/25/896191225.db2.gz WCQGSBUULQMFQB-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001369312477 896203916 /nfs/dbraw/zinc/20/39/16/896203916.db2.gz ZUXICFUHZNKASH-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001369379293 896245847 /nfs/dbraw/zinc/24/58/47/896245847.db2.gz YLSFCFZKTFXQAK-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]CCn1cccn1 ZINC001369378074 896246037 /nfs/dbraw/zinc/24/60/37/896246037.db2.gz APQSMYZOVJVBEK-CYBMUJFWSA-N 2 0 295.387 -0.954 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001369413236 896263437 /nfs/dbraw/zinc/26/34/37/896263437.db2.gz AEEHZSJGXRAJOH-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC001369438793 896270958 /nfs/dbraw/zinc/27/09/58/896270958.db2.gz CYSIXXWWJMYPDR-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001369565327 896319223 /nfs/dbraw/zinc/31/92/23/896319223.db2.gz RVHUCXUBPPXIOM-LLVKDONJSA-N 2 0 286.420 -0.066 20 0 CBADRP COC[C@@H](O)C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001369584659 896322405 /nfs/dbraw/zinc/32/24/05/896322405.db2.gz DEGNZICRAJVEFX-RUXDESIVSA-N 2 0 299.415 -0.332 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001369866811 896354945 /nfs/dbraw/zinc/35/49/45/896354945.db2.gz BXUODSYRNGDTFJ-KGLIPLIRSA-N 2 0 299.415 -0.330 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@H](O)COC)C1 ZINC001370042144 896394821 /nfs/dbraw/zinc/39/48/21/896394821.db2.gz QTYUWRSFBDIJIH-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001370219928 896410202 /nfs/dbraw/zinc/41/02/02/896410202.db2.gz CLUWGTGTELALRG-YPMHNXCESA-N 2 0 296.415 -0.441 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001370219916 896410466 /nfs/dbraw/zinc/41/04/66/896410466.db2.gz CLUWGTGTELALRG-DGCLKSJQSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H]([NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1)C(N)=O ZINC001370212647 896411497 /nfs/dbraw/zinc/41/14/97/896411497.db2.gz JVQGJYZLOYUMFE-ZWNOBZJWSA-N 2 0 296.415 -0.314 20 0 CBADRP C[NH+]1CCC(CC(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)CC1 ZINC001370345646 896420863 /nfs/dbraw/zinc/42/08/63/896420863.db2.gz RMKUWVKMSDDJGA-ZDUSSCGKSA-N 2 0 296.415 -0.312 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001370392016 896423053 /nfs/dbraw/zinc/42/30/53/896423053.db2.gz JIYGBJPHAUPCJE-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001370614055 896447309 /nfs/dbraw/zinc/44/73/09/896447309.db2.gz PKQSGWVLOHQLDO-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001370661771 896467350 /nfs/dbraw/zinc/46/73/50/896467350.db2.gz DJBYLOUVGYLHSF-SDDRHHMPSA-N 2 0 296.415 -0.301 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001370661776 896468309 /nfs/dbraw/zinc/46/83/09/896468309.db2.gz DJBYLOUVGYLHSF-UTUOFQBUSA-N 2 0 296.415 -0.301 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001370664336 896470310 /nfs/dbraw/zinc/47/03/10/896470310.db2.gz JQKCENZNNHYVNO-TXEJJXNPSA-N 2 0 284.404 -0.301 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001370666652 896470330 /nfs/dbraw/zinc/47/03/30/896470330.db2.gz PFJURRBRSFACEJ-TXEJJXNPSA-N 2 0 296.415 -0.299 20 0 CBADRP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)nn1 ZINC001370665145 896470526 /nfs/dbraw/zinc/47/05/26/896470526.db2.gz MGTXTNVYLUFHJB-TXEJJXNPSA-N 2 0 294.403 -0.106 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001370670105 896473227 /nfs/dbraw/zinc/47/32/27/896473227.db2.gz VAOGNYHSJJFTAI-BETUJISGSA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001370709714 896484717 /nfs/dbraw/zinc/48/47/17/896484717.db2.gz CRRNKDOGSQBUAX-TXEJJXNPSA-N 2 0 294.403 -0.106 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001370716249 896487288 /nfs/dbraw/zinc/48/72/88/896487288.db2.gz MDDYUUBJRHXNMZ-TXEJJXNPSA-N 2 0 282.388 -0.593 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001370772785 896494882 /nfs/dbraw/zinc/49/48/82/896494882.db2.gz JOZZKTSQXPBZON-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](CC(=O)NC)C1 ZINC001370786662 896499127 /nfs/dbraw/zinc/49/91/27/896499127.db2.gz UDPLCWVAKNGMKC-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001370830756 896507928 /nfs/dbraw/zinc/50/79/28/896507928.db2.gz IBFVALMNUISCBD-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001370826683 896508654 /nfs/dbraw/zinc/50/86/54/896508654.db2.gz CXCWHIAXMLHNOS-TZMCWYRMSA-N 2 0 298.431 -0.114 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)[NH+](C)C ZINC001371015232 896533923 /nfs/dbraw/zinc/53/39/23/896533923.db2.gz PFLJOHIYNKJBBE-MLGHIDQZSA-N 2 0 294.399 -0.739 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N1CCCC1 ZINC001371144863 896554998 /nfs/dbraw/zinc/55/49/98/896554998.db2.gz WWLSNOQVWXRLTI-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001371138719 896557219 /nfs/dbraw/zinc/55/72/19/896557219.db2.gz IRZALBCASIIOBF-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)C(=O)NC ZINC001371424408 896609884 /nfs/dbraw/zinc/60/98/84/896609884.db2.gz IBJIYAPOZZHYQM-QWRGUYRKSA-N 2 0 272.393 -0.443 20 0 CBADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N(C)C ZINC001371830757 896666628 /nfs/dbraw/zinc/66/66/28/896666628.db2.gz XFBAOAFJUXIXDJ-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001371876344 896672639 /nfs/dbraw/zinc/67/26/39/896672639.db2.gz HROISEVUYMYQGM-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001372267346 896760321 /nfs/dbraw/zinc/76/03/21/896760321.db2.gz NKXBAUPMDSTFQI-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001372319395 896771861 /nfs/dbraw/zinc/77/18/61/896771861.db2.gz WHFIMSDQBAMDNS-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001372953824 896911461 /nfs/dbraw/zinc/91/14/61/896911461.db2.gz ZPMOVPBNQRPVLN-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(N)=O ZINC001372946263 896911801 /nfs/dbraw/zinc/91/18/01/896911801.db2.gz MCBAMLRDFIJLAF-WDEREUQCSA-N 2 0 270.377 -0.750 20 0 CBADRP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001372950321 896911900 /nfs/dbraw/zinc/91/19/00/896911900.db2.gz MAUJPKFBIKCNCE-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)N1CC[C@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)C1=O ZINC001372948636 896913245 /nfs/dbraw/zinc/91/32/45/896913245.db2.gz PORAWRIAYDNHBG-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001372953828 896913260 /nfs/dbraw/zinc/91/32/60/896913260.db2.gz ZPMOVPBNQRPVLN-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(N)=O ZINC001373079489 896938209 /nfs/dbraw/zinc/93/82/09/896938209.db2.gz HLXAHIJKMDRSJQ-RWMBFGLXSA-N 2 0 296.415 -0.123 20 0 CBADRP CC[C@@H](C(=O)NCC1C[NH+](CCn2cncn2)C1)[NH+](C)C ZINC001373535681 897045405 /nfs/dbraw/zinc/04/54/05/897045405.db2.gz BVLKJTYSWGSKTI-ZDUSSCGKSA-N 2 0 294.403 -0.334 20 0 CBADRP CN1CCC[C@H]([N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001373600230 897065167 /nfs/dbraw/zinc/06/51/67/897065167.db2.gz CKGOAIFJRDDWCS-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+]1CCC(OCC(=O)N[C@H]2CC[N@H+](CCCO)C2)CC1 ZINC001373607601 897072682 /nfs/dbraw/zinc/07/26/82/897072682.db2.gz VQVQYMOKRQUSGS-ZDUSSCGKSA-N 2 0 299.415 -0.330 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001373679568 897096711 /nfs/dbraw/zinc/09/67/11/897096711.db2.gz TWHAZZLERISJSE-MELADBBJSA-N 2 0 299.415 -0.379 20 0 CBADRP CC[C@@H](C(=O)N(CC)[C@@H]1CCN(CC(=O)NC)C1)[NH+](C)C ZINC001373707017 897100185 /nfs/dbraw/zinc/10/01/85/897100185.db2.gz FSYLWDUSIHINAK-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374027325 897158488 /nfs/dbraw/zinc/15/84/88/897158488.db2.gz ZMEZQJCSKLPMLN-IJLUTSLNSA-N 2 0 284.404 -0.586 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@H]1CCN(C)C1=O ZINC001374068842 897165637 /nfs/dbraw/zinc/16/56/37/897165637.db2.gz FHVVJILSQVQOGQ-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1nncn1C)[NH+](C)C ZINC001374099146 897172332 /nfs/dbraw/zinc/17/23/32/897172332.db2.gz QYVQIIIYCWQHSD-RYUDHWBXSA-N 2 0 296.419 -0.003 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001374271982 897199849 /nfs/dbraw/zinc/19/98/49/897199849.db2.gz RTJFJUCQAYYUDH-NWDGAFQWSA-N 2 0 284.404 -0.395 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001374271406 897200546 /nfs/dbraw/zinc/20/05/46/897200546.db2.gz NBWRIZAGAHNSJW-FRRDWIJNSA-N 2 0 287.404 -0.476 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374282462 897205666 /nfs/dbraw/zinc/20/56/66/897205666.db2.gz PTTYIRZMQZDGEQ-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)C[NH+]1CCCC1 ZINC001374324950 897209854 /nfs/dbraw/zinc/20/98/54/897209854.db2.gz GXWTXSJXASCTDD-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374312904 897211173 /nfs/dbraw/zinc/21/11/73/897211173.db2.gz MTEXBRJSQIPIIK-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC(N)=O ZINC001374437213 897224966 /nfs/dbraw/zinc/22/49/66/897224966.db2.gz CLWUGDPNDJSVOP-CYBMUJFWSA-N 2 0 298.431 -0.066 20 0 CBADRP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H]1CCCNC1=O ZINC001374431344 897226390 /nfs/dbraw/zinc/22/63/90/897226390.db2.gz KWPFFYLHRZMNDS-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC(N)=O)C1 ZINC001374562374 897260223 /nfs/dbraw/zinc/26/02/23/897260223.db2.gz PENRHZSJQNVBGK-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(=O)NC ZINC001374576455 897269123 /nfs/dbraw/zinc/26/91/23/897269123.db2.gz UNXZMFXPFMBWOZ-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC1CCOCC1 ZINC001374636132 897323121 /nfs/dbraw/zinc/32/31/21/897323121.db2.gz XUJLOFAVTIJHRT-UONOGXRCSA-N 2 0 299.415 -0.426 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]C[C@H]1CCCCO1 ZINC001374684451 897343712 /nfs/dbraw/zinc/34/37/12/897343712.db2.gz MIKNLKKJYZFWFE-UONOGXRCSA-N 2 0 299.415 -0.282 20 0 CBADRP CCC[N@H+](C)CC(=O)NC1CN(C(=O)C[NH+](CC)CC)C1 ZINC001374731253 897358975 /nfs/dbraw/zinc/35/89/75/897358975.db2.gz ZVHRIRPTCOYQMN-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001374774197 897383822 /nfs/dbraw/zinc/38/38/22/897383822.db2.gz DOODHAQYSLWDPH-UPJWGTAASA-N 2 0 287.404 -0.428 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001374921759 897435138 /nfs/dbraw/zinc/43/51/38/897435138.db2.gz IFXDJXBHUYYLNR-HBNTYKKESA-N 2 0 270.377 -0.691 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374963013 897443782 /nfs/dbraw/zinc/44/37/82/897443782.db2.gz ZRJJURWAAUNCPL-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001374960976 897444311 /nfs/dbraw/zinc/44/43/11/897444311.db2.gz GRUBQMIEPNCSER-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@@H]1CCN(C)C1=O ZINC001375144644 897481105 /nfs/dbraw/zinc/48/11/05/897481105.db2.gz BPAAXLUTBPZLOR-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)NC)C1CC1)[NH+](C)C ZINC001375275432 897506254 /nfs/dbraw/zinc/50/62/54/897506254.db2.gz YLDQEBBWRKFQQH-NEPJUHHUSA-N 2 0 284.404 -0.443 20 0 CBADRP CC[C@H](C(=O)NCC1([NH2+][C@@H]2CCN(C)C2=O)CC1)[NH+](C)C ZINC001375436354 897545004 /nfs/dbraw/zinc/54/50/04/897545004.db2.gz LRPQZESWJSKCJC-VXGBXAGGSA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001375480133 897551794 /nfs/dbraw/zinc/55/17/94/897551794.db2.gz PDJDJGHFNDNOSO-VXGBXAGGSA-N 2 0 298.431 -0.055 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001375503777 897556243 /nfs/dbraw/zinc/55/62/43/897556243.db2.gz VGKANSIWPGWDOC-MXWKQRLJSA-N 2 0 270.377 -0.704 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH+](CCO)CCO)C2)C1 ZINC001375624101 897576896 /nfs/dbraw/zinc/57/68/96/897576896.db2.gz XGEQNNYWALHSBG-KBPBESRZSA-N 2 0 299.415 -0.784 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CC[NH+](C)C ZINC001375740034 897600592 /nfs/dbraw/zinc/60/05/92/897600592.db2.gz FYCHEPQXATYIEB-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP C[NH+](C)CCC(=O)NC1(C)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001375778925 897608264 /nfs/dbraw/zinc/60/82/64/897608264.db2.gz RCVKWVFZEKKRBZ-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP COCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001376053586 897640269 /nfs/dbraw/zinc/64/02/69/897640269.db2.gz NLHKSGSFIBIIGN-HIFRSBDPSA-N 2 0 299.415 -0.330 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1CCN(CC(=O)NC2CC2)C1 ZINC001376157337 897674790 /nfs/dbraw/zinc/67/47/90/897674790.db2.gz XZVIHPXXVKFQAS-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP NC(=O)CN1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001376169948 897680481 /nfs/dbraw/zinc/68/04/81/897680481.db2.gz YPTMANCGINFKJP-CYBMUJFWSA-N 2 0 296.415 -0.072 20 0 CBADRP C[C@@H]([NH2+][C@@H](CNC(=O)CC[NH+](C)C)C1CC1)C(N)=O ZINC001376242044 897694772 /nfs/dbraw/zinc/69/47/72/897694772.db2.gz DXHYDDCQZQMGDZ-KOLCDFICSA-N 2 0 270.377 -0.704 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001376334921 897713834 /nfs/dbraw/zinc/71/38/34/897713834.db2.gz BFIHCTXDWLXBGL-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001376387319 897723116 /nfs/dbraw/zinc/72/31/16/897723116.db2.gz HZDHISNLIXYYOW-IJLUTSLNSA-N 2 0 282.388 -0.547 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001376377995 897723780 /nfs/dbraw/zinc/72/37/80/897723780.db2.gz UHANCAGGYSLMJB-AAVRWANBSA-N 2 0 299.415 -0.285 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001376408375 897725711 /nfs/dbraw/zinc/72/57/11/897725711.db2.gz NMPWSYZSBYJULB-IJLUTSLNSA-N 2 0 282.388 -0.689 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001376405712 897727674 /nfs/dbraw/zinc/72/76/74/897727674.db2.gz XCMCBKJXWSPNMM-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001376460332 897746711 /nfs/dbraw/zinc/74/67/11/897746711.db2.gz DGVTUZMUYOVCPM-FRRDWIJNSA-N 2 0 294.399 -0.689 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001376469499 897749653 /nfs/dbraw/zinc/74/96/53/897749653.db2.gz NBGZWIOLINDHFG-RVMXOQNASA-N 2 0 296.415 -0.158 20 0 CBADRP CCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001376503682 897760187 /nfs/dbraw/zinc/76/01/87/897760187.db2.gz RZJUGWOETVIYBM-RWMBFGLXSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001376512597 897763121 /nfs/dbraw/zinc/76/31/21/897763121.db2.gz OBTIGVFHOMMPTD-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001376512593 897764164 /nfs/dbraw/zinc/76/41/64/897764164.db2.gz OBTIGVFHOMMPTD-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001376557011 897777200 /nfs/dbraw/zinc/77/72/00/897777200.db2.gz LPXUZDZUXFJIJV-QWHCGFSZSA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001376631322 897785982 /nfs/dbraw/zinc/78/59/82/897785982.db2.gz WCOLXCGPWWEFKR-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)N1CCC1 ZINC001376727985 897826059 /nfs/dbraw/zinc/82/60/59/897826059.db2.gz DQOOFDWMBXDETO-YNEHKIRRSA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001376801020 897848883 /nfs/dbraw/zinc/84/88/83/897848883.db2.gz MHJPDMHLQDTLSC-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@@H]1CCCNC1=O ZINC001376809563 897852308 /nfs/dbraw/zinc/85/23/08/897852308.db2.gz WBWNCPVBADWJCQ-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)C(=O)NC1CC1 ZINC001376804583 897854288 /nfs/dbraw/zinc/85/42/88/897854288.db2.gz CWJXQSLXQGNHMO-GHMZBOCLSA-N 2 0 284.404 -0.301 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001376899274 897884743 /nfs/dbraw/zinc/88/47/43/897884743.db2.gz ILJNFAVNOOHQRS-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001376907653 897887594 /nfs/dbraw/zinc/88/75/94/897887594.db2.gz FDFHMFRANAYWIZ-NWDGAFQWSA-N 2 0 282.388 -0.641 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001376915885 897892018 /nfs/dbraw/zinc/89/20/18/897892018.db2.gz VHCSRJGQXVACKX-NSHDSACASA-N 2 0 270.377 -0.783 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001376937233 897898241 /nfs/dbraw/zinc/89/82/41/897898241.db2.gz CUFRSAJXDHVDHP-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001376952444 897899876 /nfs/dbraw/zinc/89/98/76/897899876.db2.gz FYOCUUQEIQTQKQ-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001376944978 897902309 /nfs/dbraw/zinc/90/23/09/897902309.db2.gz BEICXNNWUAKIFE-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)N(C)C ZINC001377025152 897915389 /nfs/dbraw/zinc/91/53/89/897915389.db2.gz PWZSRUJWLISVQQ-JHJVBQTASA-N 2 0 298.431 -0.101 20 0 CBADRP COC[C@H](O)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001377231853 897977590 /nfs/dbraw/zinc/97/75/90/897977590.db2.gz VNVXHRZTLZNKEV-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC001377340797 898014992 /nfs/dbraw/zinc/01/49/92/898014992.db2.gz HQSPRUOLMJVECO-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001377359055 898019338 /nfs/dbraw/zinc/01/93/38/898019338.db2.gz ZPYRCWFHLXLVDH-OLZOCXBDSA-N 2 0 299.415 -0.738 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001377458776 898055449 /nfs/dbraw/zinc/05/54/49/898055449.db2.gz ZTKYMJNHOSVTFU-LBPRGKRZSA-N 2 0 284.404 -0.536 20 0 CBADRP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)[C@H](C)C(N)=O ZINC001377499514 898067039 /nfs/dbraw/zinc/06/70/39/898067039.db2.gz DTWINKNLPZSVSZ-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001377588439 898099492 /nfs/dbraw/zinc/09/94/92/898099492.db2.gz ILLVCDPHRTXLKN-NEPJUHHUSA-N 2 0 284.404 -0.491 20 0 CBADRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O)[NH+](C)C ZINC001377610904 898105106 /nfs/dbraw/zinc/10/51/06/898105106.db2.gz WIELKAQKSQBCSC-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH+](C)CCC(=O)NCC[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001377713440 898121318 /nfs/dbraw/zinc/12/13/18/898121318.db2.gz XTSYKAMZOMGCLL-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(C)C(=O)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001377710002 898121600 /nfs/dbraw/zinc/12/16/00/898121600.db2.gz FSLIKDAAAFYLGC-WXRRBKDZSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+]CC1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001377734112 898125981 /nfs/dbraw/zinc/12/59/81/898125981.db2.gz QSTUUSGOAZCMEQ-UHFFFAOYSA-N 2 0 284.404 -0.443 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001377811756 898142953 /nfs/dbraw/zinc/14/29/53/898142953.db2.gz VYTSFSXNPFMXLI-RDBSUJKOSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]CC(N)=O ZINC001377841292 898145750 /nfs/dbraw/zinc/14/57/50/898145750.db2.gz WCJDNJGFWMMZBB-QWRGUYRKSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H](C)[NH2+]CC(N)=O ZINC001377844107 898147286 /nfs/dbraw/zinc/14/72/86/898147286.db2.gz WEYDZVLBPKWWFM-NXEZZACHSA-N 2 0 270.377 -0.704 20 0 CBADRP COC[C@@H](O)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001377979141 898185956 /nfs/dbraw/zinc/18/59/56/898185956.db2.gz QEMGQOVYAVUXKC-UONOGXRCSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H](CC[NH+](C)C)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001454575474 914231192 /nfs/dbraw/zinc/23/11/92/914231192.db2.gz GDYRTCBTNWHNFA-NWDGAFQWSA-N 2 0 257.378 -0.243 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC001378122047 898244263 /nfs/dbraw/zinc/24/42/63/898244263.db2.gz YXDZBOKVZJVBRY-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CCN1CCNC1=O ZINC001378121511 898248209 /nfs/dbraw/zinc/24/82/09/898248209.db2.gz ISDVEPDTEHNXFX-LBPRGKRZSA-N 2 0 299.419 -0.600 20 0 CBADRP CNC(=O)CN1CC[C@@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001378148929 898255791 /nfs/dbraw/zinc/25/57/91/898255791.db2.gz MRJMJFIFDUIOJC-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378162590 898261773 /nfs/dbraw/zinc/26/17/73/898261773.db2.gz CJIGFMRJXXDWCC-STQMWFEESA-N 2 0 287.404 -0.522 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)[C@H]1CCNC1=O ZINC001378218376 898280564 /nfs/dbraw/zinc/28/05/64/898280564.db2.gz FYKFSLWETQVLQZ-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)Cc1c[nH]cn1 ZINC001378293879 898302485 /nfs/dbraw/zinc/30/24/85/898302485.db2.gz MARAHHHVJYNSRS-SNVBAGLBSA-N 2 0 281.360 -0.427 20 0 CBADRP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@H](C)C(N)=O ZINC001378336615 898316970 /nfs/dbraw/zinc/31/69/70/898316970.db2.gz HXWZWMBBUCTCGY-MNOVXSKESA-N 2 0 272.393 -0.315 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@@](C)(C[NH2+]CC(N)=O)C2CC2)CC[N@@H+]1C ZINC001378394264 898328796 /nfs/dbraw/zinc/32/87/96/898328796.db2.gz CJGCWGZNRWLEEU-HCKVZZMMSA-N 2 0 296.415 -0.314 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CC(N)=O)CCCCC2)C1 ZINC001378417393 898329915 /nfs/dbraw/zinc/32/99/15/898329915.db2.gz PKDKFUVGKGRYCL-GFCCVEGCSA-N 2 0 296.415 -0.168 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1CCN1C(=O)C[NH+]1CCCC1 ZINC001378511987 898340629 /nfs/dbraw/zinc/34/06/29/898340629.db2.gz LAYJCIHYXWJXKX-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001378548334 898352632 /nfs/dbraw/zinc/35/26/32/898352632.db2.gz DTVYZDWYUABLHE-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001378588497 898359382 /nfs/dbraw/zinc/35/93/82/898359382.db2.gz LZSNGSUOBHOVAZ-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001378588499 898360263 /nfs/dbraw/zinc/36/02/63/898360263.db2.gz LZSNGSUOBHOVAZ-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001378612767 898365705 /nfs/dbraw/zinc/36/57/05/898365705.db2.gz YIZFTAPFTUPAPU-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001378615524 898368959 /nfs/dbraw/zinc/36/89/59/898368959.db2.gz MTXLHCQJAZRLOH-CYBMUJFWSA-N 2 0 298.431 -0.194 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001378625963 898372856 /nfs/dbraw/zinc/37/28/56/898372856.db2.gz WBUPWOLOWYXLFF-LBPRGKRZSA-N 2 0 298.431 -0.194 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001378646154 898379070 /nfs/dbraw/zinc/37/90/70/898379070.db2.gz MWPKZHSLJUBSLZ-NWDGAFQWSA-N 2 0 284.404 -0.584 20 0 CBADRP C[NH+](C)CCC(=O)NC1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001378701524 898395128 /nfs/dbraw/zinc/39/51/28/898395128.db2.gz SBPLMYBOQIRQEP-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)CC[NH+](C)C ZINC001378805635 898412499 /nfs/dbraw/zinc/41/24/99/898412499.db2.gz CNVIYTXOWSHCTH-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001378841678 898424735 /nfs/dbraw/zinc/42/47/35/898424735.db2.gz QHMJHKSYRRCBGW-CYDGBPFRSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001454740237 914253835 /nfs/dbraw/zinc/25/38/35/914253835.db2.gz OGEJWZOIKFNUBK-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)N(C)C ZINC001379193896 898496183 /nfs/dbraw/zinc/49/61/83/898496183.db2.gz KBVBYNHFXBCFGB-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)on1 ZINC001379227979 898512326 /nfs/dbraw/zinc/51/23/26/898512326.db2.gz MSZNZVUSABHSJP-DGCLKSJQSA-N 2 0 296.371 -0.356 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnns2)C1 ZINC001379280504 898535900 /nfs/dbraw/zinc/53/59/00/898535900.db2.gz DGJALRQPOLEUGU-NXEZZACHSA-N 2 0 299.400 -0.944 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001379291581 898541005 /nfs/dbraw/zinc/54/10/05/898541005.db2.gz XVHQJYYZAYKDOM-DGCLKSJQSA-N 2 0 286.420 -0.245 20 0 CBADRP Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[NH+]2CCCC2)o1 ZINC001379289822 898541242 /nfs/dbraw/zinc/54/12/42/898541242.db2.gz PQYGIXSQONEXRH-GFCCVEGCSA-N 2 0 296.371 -0.354 20 0 CBADRP CC[C@H]([NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001379393245 898595227 /nfs/dbraw/zinc/59/52/27/898595227.db2.gz BSZBGTDHONNRAH-NEPJUHHUSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CCC[NH+](C)C ZINC001379418978 898606108 /nfs/dbraw/zinc/60/61/08/898606108.db2.gz XANMOLXBHQQNCO-SNVBAGLBSA-N 2 0 298.391 -0.956 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001379413527 898608487 /nfs/dbraw/zinc/60/84/87/898608487.db2.gz HSVAUMKSURCIRX-MNOVXSKESA-N 2 0 272.393 -0.443 20 0 CBADRP COC[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001379434673 898613881 /nfs/dbraw/zinc/61/38/81/898613881.db2.gz LWOPOBHAXZGPKE-CHWSQXEVSA-N 2 0 299.415 -0.284 20 0 CBADRP Cc1ccncc1C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C ZINC001379468668 898625164 /nfs/dbraw/zinc/62/51/64/898625164.db2.gz NCSXEIVSJJEHRR-AWEZNQCLSA-N 2 0 294.399 -0.092 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)CC[NH+]1CCCCC1 ZINC001379471081 898628134 /nfs/dbraw/zinc/62/81/34/898628134.db2.gz ZZEVBCKPXXCCBW-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001379549051 898664351 /nfs/dbraw/zinc/66/43/51/898664351.db2.gz AGCXQFORHQNIIU-FRRDWIJNSA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@@H](C[NH2+]Cc1ccn(C)n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379601830 898680768 /nfs/dbraw/zinc/68/07/68/898680768.db2.gz UZPNCNKUOHCWKE-NWDGAFQWSA-N 2 0 279.388 -0.034 20 0 CBADRP CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)C[NH+]2CCCC2)C1=O ZINC001379602015 898683232 /nfs/dbraw/zinc/68/32/32/898683232.db2.gz XTHGFIBZVSJSKG-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)(C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1)[NH+]1CCCC1 ZINC001379894192 898754228 /nfs/dbraw/zinc/75/42/28/898754228.db2.gz HPSKDRZHUUNPQP-LBPRGKRZSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H](C[NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001379897405 898754810 /nfs/dbraw/zinc/75/48/10/898754810.db2.gz UPRWUHPDEXCSTP-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001380180587 898832712 /nfs/dbraw/zinc/83/27/12/898832712.db2.gz ZRWGBLDPKCVSEJ-BPCQOVAHSA-N 2 0 296.415 -0.204 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@]1(O)CC[N@H+](CCCF)C1 ZINC001380570244 898904012 /nfs/dbraw/zinc/90/40/12/898904012.db2.gz HAIBOXMBBJYQTP-CQSZACIVSA-N 2 0 287.379 -0.005 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@@]2(CO)CCC[N@H+](CCO)C2)CC1 ZINC001380740772 898944878 /nfs/dbraw/zinc/94/48/78/898944878.db2.gz BPJWETDVFWOBCO-HNNXBMFYSA-N 2 0 299.415 -0.736 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CCF)C1 ZINC001381042314 898990064 /nfs/dbraw/zinc/99/00/64/898990064.db2.gz GZGIIITWYDUWPW-JSGCOSHPSA-N 2 0 287.379 -0.007 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001381070532 898993316 /nfs/dbraw/zinc/99/33/16/898993316.db2.gz FCCUDBWCQZPXNX-MCIONIFRSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001381199276 899009392 /nfs/dbraw/zinc/00/93/92/899009392.db2.gz INILDJMNHXGXKS-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001381223725 899011667 /nfs/dbraw/zinc/01/16/67/899011667.db2.gz QZULRXURJTWHMW-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001381304483 899025491 /nfs/dbraw/zinc/02/54/91/899025491.db2.gz WTOWAGKJDDJKAL-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+]CC(=O)N(C)C)C1 ZINC001381340133 899033037 /nfs/dbraw/zinc/03/30/37/899033037.db2.gz QRGUHURNIOSQAK-UHFFFAOYSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001381425233 899044749 /nfs/dbraw/zinc/04/47/49/899044749.db2.gz YMFNUUBHJWMUKB-GHMZBOCLSA-N 2 0 272.393 -0.443 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001381425240 899046558 /nfs/dbraw/zinc/04/65/58/899046558.db2.gz YMFNUUBHJWMUKB-QWRGUYRKSA-N 2 0 272.393 -0.443 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001381437060 899048882 /nfs/dbraw/zinc/04/88/82/899048882.db2.gz KPKGMKNGNPMUNP-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001381448365 899055097 /nfs/dbraw/zinc/05/50/97/899055097.db2.gz MGOAJANGBQDBBJ-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H]([NH2+]CCO)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001381937512 899130416 /nfs/dbraw/zinc/13/04/16/899130416.db2.gz UTIDJCDFBUUXME-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+]([C@H](C)C(N)=O)C[C@H]21 ZINC001381919520 899131473 /nfs/dbraw/zinc/13/14/73/899131473.db2.gz DEDSUODMLDUGJS-LPWJVIDDSA-N 2 0 296.415 -0.504 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCO[C@H]([C@H](C)[NH2+]CCO)C1 ZINC001381950660 899133766 /nfs/dbraw/zinc/13/37/66/899133766.db2.gz UUHPEAZVILUCBB-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001381975892 899140766 /nfs/dbraw/zinc/14/07/66/899140766.db2.gz ZYQMWZFISGIXBA-CYDGBPFRSA-N 2 0 298.431 -0.069 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001382028299 899144257 /nfs/dbraw/zinc/14/42/57/899144257.db2.gz CEAREZGIBLXCDA-DGCLKSJQSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC(=O)N(C)C1CC1 ZINC001382110608 899156033 /nfs/dbraw/zinc/15/60/33/899156033.db2.gz GDJPGKDNAWXSOA-GFCCVEGCSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@H]1CCCNC1=O ZINC001382112388 899160940 /nfs/dbraw/zinc/16/09/40/899160940.db2.gz LRPBYNSHRJGQSC-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001382154842 899166791 /nfs/dbraw/zinc/16/67/91/899166791.db2.gz QHQUMRGFWGTHKW-STQMWFEESA-N 2 0 299.415 -0.474 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001382152744 899167781 /nfs/dbraw/zinc/16/77/81/899167781.db2.gz MJGOXMSHSJWTQN-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]CC(N)=O ZINC001382169706 899169508 /nfs/dbraw/zinc/16/95/08/899169508.db2.gz WRJRPQBQHADUAX-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001382216533 899197863 /nfs/dbraw/zinc/19/78/63/899197863.db2.gz HYJNOADQHDVVKH-QWHCGFSZSA-N 2 0 287.404 -0.834 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]Cc1cncc(F)c1 ZINC001382237915 899200309 /nfs/dbraw/zinc/20/03/09/899200309.db2.gz RVFKSQVJDAXECL-ZDUSSCGKSA-N 2 0 298.362 -0.261 20 0 CBADRP Cn1cncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001382238085 899202644 /nfs/dbraw/zinc/20/26/44/899202644.db2.gz BFJHVWWFWSTWTE-WCQYABFASA-N 2 0 295.387 -0.919 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]CC[C@@H]1CCOC1 ZINC001382269691 899223506 /nfs/dbraw/zinc/22/35/06/899223506.db2.gz AEAQITSHLAEMPO-KGLIPLIRSA-N 2 0 299.415 -0.425 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]C/C=C\Cl ZINC001382275953 899229324 /nfs/dbraw/zinc/22/93/24/899229324.db2.gz VHFIQJLRTMVVQZ-BYCRGOAPSA-N 2 0 275.780 -0.099 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@H]1C ZINC001382302410 899239137 /nfs/dbraw/zinc/23/91/37/899239137.db2.gz JGGQTCUPHRLBTF-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001385887127 899598678 /nfs/dbraw/zinc/59/86/78/899598678.db2.gz VPEONNHJRFFDBS-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001385940947 899604827 /nfs/dbraw/zinc/60/48/27/899604827.db2.gz MFRXZRRGNUJOOB-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001386313111 899651402 /nfs/dbraw/zinc/65/14/02/899651402.db2.gz MFRXZRRGNUJOOB-RWMBFGLXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001387819994 899833782 /nfs/dbraw/zinc/83/37/82/899833782.db2.gz NQSVAYOHNGBADH-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001388727020 899904890 /nfs/dbraw/zinc/90/48/90/899904890.db2.gz TZAZVXOTITWXRQ-SRVKXCTJSA-N 2 0 282.388 -0.689 20 0 CBADRP CC[C@H](C(=O)N1CC(NC(=O)[C@H](CC)[NH+](C)C)C1)[NH+](C)C ZINC001389315190 899990889 /nfs/dbraw/zinc/99/08/89/899990889.db2.gz TUZOJWXYRYECOS-QWHCGFSZSA-N 2 0 298.431 -0.006 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCN2CC[NH+](CCO)CC2)C1 ZINC001389424972 900011044 /nfs/dbraw/zinc/01/10/44/900011044.db2.gz FWHOZPIZDPDAEV-AWEZNQCLSA-N 2 0 298.431 -0.946 20 0 CBADRP CC[N@H+](C)CCC(=O)NC1CN(C(=O)CCC[NH+](C)C)C1 ZINC001389436457 900011140 /nfs/dbraw/zinc/01/11/40/900011140.db2.gz DFQBXFLLYSRWQV-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001389519634 900032714 /nfs/dbraw/zinc/03/27/14/900032714.db2.gz GYRPFPARKKAKEJ-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]([NH2+][C@H](CNC(=O)C[N@H+](C)C1CCC1)C1CC1)C(N)=O ZINC001389609941 900050850 /nfs/dbraw/zinc/05/08/50/900050850.db2.gz QPEFJANVTASXNH-ZWNOBZJWSA-N 2 0 296.415 -0.171 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]([NH2+][C@H]1CCNC1=O)C1CC1 ZINC001389693862 900058850 /nfs/dbraw/zinc/05/88/50/900058850.db2.gz QWLNADARUQPQKV-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC)C1 ZINC001389815674 900078866 /nfs/dbraw/zinc/07/88/66/900078866.db2.gz HEAHKPXUXHNQPK-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001390003643 900103233 /nfs/dbraw/zinc/10/32/33/900103233.db2.gz GVPLQGUQCQRJKO-BETUJISGSA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001390010710 900104175 /nfs/dbraw/zinc/10/41/75/900104175.db2.gz GWHMUWYFLILHIH-KXNHARMFSA-N 2 0 282.388 -0.691 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001389996280 900104224 /nfs/dbraw/zinc/10/42/24/900104224.db2.gz BAXTWZVIXWSPIB-BETUJISGSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C1)C(N)=O ZINC001390003682 900104493 /nfs/dbraw/zinc/10/44/93/900104493.db2.gz HBQNLNVHIOYAJU-TUAOUCFPSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001390053403 900108891 /nfs/dbraw/zinc/10/88/91/900108891.db2.gz BDUQBTHPUURQAZ-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001390367811 900147955 /nfs/dbraw/zinc/14/79/55/900147955.db2.gz MHPREPLCUZOMHU-AAEUAGOBSA-N 2 0 296.415 -0.441 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001390367860 900148218 /nfs/dbraw/zinc/14/82/18/900148218.db2.gz MHPREPLCUZOMHU-YPMHNXCESA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(=O)N(C)C ZINC001390393109 900150117 /nfs/dbraw/zinc/15/01/17/900150117.db2.gz CSSHZTKUJLOQNE-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC(N)=O ZINC001390391149 900150933 /nfs/dbraw/zinc/15/09/33/900150933.db2.gz ABLLKDAUYOPJHP-YPMHNXCESA-N 2 0 296.415 -0.027 20 0 CBADRP COC[C@H](O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001390449256 900162060 /nfs/dbraw/zinc/16/20/60/900162060.db2.gz AASVOEXJCZVQPR-UPJWGTAASA-N 2 0 287.404 -0.428 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC)C1 ZINC001390458540 900168096 /nfs/dbraw/zinc/16/80/96/900168096.db2.gz NJCXEPDOCGYDBS-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)NC(C)(C)C ZINC001390477650 900170770 /nfs/dbraw/zinc/17/07/70/900170770.db2.gz WOVMVRSFCGGATH-NSHDSACASA-N 2 0 286.420 -0.053 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1cnnn1C ZINC001390504446 900175565 /nfs/dbraw/zinc/17/55/65/900175565.db2.gz GPZKBHYOLKNUHN-LLVKDONJSA-N 2 0 282.392 -0.249 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NCC1CC1 ZINC001390522587 900181262 /nfs/dbraw/zinc/18/12/62/900181262.db2.gz RWHGUZNHGRCLPF-WCQYABFASA-N 2 0 296.415 -0.441 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001390550694 900187001 /nfs/dbraw/zinc/18/70/01/900187001.db2.gz IISOMSFUOMORQG-RYUDHWBXSA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001390590547 900193363 /nfs/dbraw/zinc/19/33/63/900193363.db2.gz DQICQUREIVXBLN-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cnnn1C ZINC001390647552 900204127 /nfs/dbraw/zinc/20/41/27/900204127.db2.gz QDIKXOFROYSHCV-AAEUAGOBSA-N 2 0 294.403 -0.106 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CCn1cncn1 ZINC001390888997 900275638 /nfs/dbraw/zinc/27/56/38/900275638.db2.gz OIXSRHKPHJHLAT-ZDUSSCGKSA-N 2 0 294.403 -0.190 20 0 CBADRP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)[C@@H]1CCN(C)C1=O ZINC001391028235 900292852 /nfs/dbraw/zinc/29/28/52/900292852.db2.gz XHJMOMFYPBWZFC-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CCCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391098381 900309983 /nfs/dbraw/zinc/30/99/83/900309983.db2.gz OTEWYMWECXDUMG-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[C@H](C(=O)NCCN([C@H](C)C(N)=O)C1CC1)[NH+](C)C ZINC001391201873 900334643 /nfs/dbraw/zinc/33/46/43/900334643.db2.gz UHUMNCJJOVEOOE-ZYHUDNBSSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)C[NH+]1CCCC1)C(=O)NC1CC1 ZINC001391220296 900341856 /nfs/dbraw/zinc/34/18/56/900341856.db2.gz MOAYVXIMMNFJKP-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001391223511 900342712 /nfs/dbraw/zinc/34/27/12/900342712.db2.gz GPYYEQZURIFZPU-JTQLQIEISA-N 2 0 270.377 -0.750 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H]1CCCN(C)C1=O ZINC001391223648 900344056 /nfs/dbraw/zinc/34/40/56/900344056.db2.gz BDXZBCSYICHKBD-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001391353048 900360055 /nfs/dbraw/zinc/36/00/55/900360055.db2.gz HQUNANVRJLHXQE-OLZOCXBDSA-N 2 0 296.415 -0.264 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001391563581 900411007 /nfs/dbraw/zinc/41/10/07/900411007.db2.gz RNKYWSPMZMLAPU-IHRRRGAJSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(N)=O ZINC001391892738 900460578 /nfs/dbraw/zinc/46/05/78/900460578.db2.gz GZXYKQIIWSNAOR-HBNTYKKESA-N 2 0 270.377 -0.846 20 0 CBADRP CC[C@H]([NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001391928955 900464249 /nfs/dbraw/zinc/46/42/49/900464249.db2.gz QWZWJRFVOCEBBQ-AAEUAGOBSA-N 2 0 298.431 -0.066 20 0 CBADRP CC[C@@H]([NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001391928960 900464392 /nfs/dbraw/zinc/46/43/92/900464392.db2.gz QWZWJRFVOCEBBQ-WCQYABFASA-N 2 0 298.431 -0.066 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001391913828 900464819 /nfs/dbraw/zinc/46/48/19/900464819.db2.gz CSYGVNRGPRUSLA-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C ZINC001391929044 900467242 /nfs/dbraw/zinc/46/72/42/900467242.db2.gz RMIIWHKCVUBZDQ-WDEREUQCSA-N 2 0 272.393 -0.586 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001391967701 900477511 /nfs/dbraw/zinc/47/75/11/900477511.db2.gz POGUUXYRJNOITF-GXTWGEPZSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001392103979 900511772 /nfs/dbraw/zinc/51/17/72/900511772.db2.gz WBKOTEGUEBDLKK-NSHDSACASA-N 2 0 286.420 -0.114 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)CCC[NH+](C)C ZINC001392099526 900512466 /nfs/dbraw/zinc/51/24/66/900512466.db2.gz HRWMFQGKURZRSJ-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392133229 900519072 /nfs/dbraw/zinc/51/90/72/900519072.db2.gz MAYAOCYNNVIQFK-VXGBXAGGSA-N 2 0 294.403 -0.297 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001392125323 900519807 /nfs/dbraw/zinc/51/98/07/900519807.db2.gz WRAIJWFMKZKQAT-GHMZBOCLSA-N 2 0 272.393 -0.362 20 0 CBADRP CNC(=O)[C@@H](C)N(C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001392326855 900564475 /nfs/dbraw/zinc/56/44/75/900564475.db2.gz NHKYHBJOROYXJA-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001392413747 900608439 /nfs/dbraw/zinc/60/84/39/900608439.db2.gz WKYLDOOOYDIJAR-CHWSQXEVSA-N 2 0 287.404 -0.834 20 0 CBADRP CO[C@H](C)C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001392415838 900612677 /nfs/dbraw/zinc/61/26/77/900612677.db2.gz AKLTXZNYGQNFOI-VXGBXAGGSA-N 2 0 273.377 -0.816 20 0 CBADRP CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001392426189 900614651 /nfs/dbraw/zinc/61/46/51/900614651.db2.gz LYACECKSKXVUDO-VXGBXAGGSA-N 2 0 273.377 -0.959 20 0 CBADRP C[C@H](CC[NH2+][C@H](C)C(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001392434048 900617215 /nfs/dbraw/zinc/61/72/15/900617215.db2.gz GSGKUBTZJQGJQI-GHMZBOCLSA-N 2 0 282.388 -0.560 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)C1([NH+](C)C)CCC1 ZINC001392450947 900619349 /nfs/dbraw/zinc/61/93/49/900619349.db2.gz XPPFCNUMPFLCER-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001392494727 900637205 /nfs/dbraw/zinc/63/72/05/900637205.db2.gz YTSKYEHVTCVDQS-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001392510592 900641909 /nfs/dbraw/zinc/64/19/09/900641909.db2.gz FXXANGPJOAPYMC-GHMZBOCLSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C[NH+]1CCCC1 ZINC001392528792 900647781 /nfs/dbraw/zinc/64/77/81/900647781.db2.gz BTWONSAZXOEPTP-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392530269 900648682 /nfs/dbraw/zinc/64/86/82/900648682.db2.gz ONBFDWOBWLBZIF-DGCLKSJQSA-N 2 0 296.415 -0.441 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001392602779 900673825 /nfs/dbraw/zinc/67/38/25/900673825.db2.gz SMQBKZUTKNATMI-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001392613867 900679103 /nfs/dbraw/zinc/67/91/03/900679103.db2.gz MZIHUMRPXROCMF-NWDGAFQWSA-N 2 0 273.377 -0.816 20 0 CBADRP C[C@H]([NH2+]C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1CC1)C(N)=O ZINC001392760982 900718929 /nfs/dbraw/zinc/71/89/29/900718929.db2.gz ALDDAWDATIBAAU-GWCFXTLKSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001392791150 900728102 /nfs/dbraw/zinc/72/81/02/900728102.db2.gz DKSZUQXWGUGNDH-PWSUYJOCSA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@H](C(N)=O)N1CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001392881671 900747930 /nfs/dbraw/zinc/74/79/30/900747930.db2.gz WNNXXDFZLCTMCF-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H](C)C(N)=O)CC1 ZINC001392905935 900758118 /nfs/dbraw/zinc/75/81/18/900758118.db2.gz GQYDVERDGZXQGW-NEPJUHHUSA-N 2 0 296.415 -0.027 20 0 CBADRP CC(C)[C@@H](C(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1)[NH+](C)C ZINC001392909432 900758366 /nfs/dbraw/zinc/75/83/66/900758366.db2.gz RXDCACMLYIIVQC-NEPJUHHUSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001393060616 900785789 /nfs/dbraw/zinc/78/57/89/900785789.db2.gz ZLNBHJNVRREQAY-NWDGAFQWSA-N 2 0 294.399 -0.463 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001393165478 900800604 /nfs/dbraw/zinc/80/06/04/900800604.db2.gz WHEAGKFKGFPBKB-SWLSCSKDSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@]2(O)CC[NH+](CCCO)C2)C1 ZINC001393279753 900826547 /nfs/dbraw/zinc/82/65/47/900826547.db2.gz FIEMNAKTTYCDSY-ZFWWWQNUSA-N 2 0 299.415 -0.736 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)CC1 ZINC001393484529 900863573 /nfs/dbraw/zinc/86/35/73/900863573.db2.gz ANVDFDVPHJMAEQ-HAQNSBGRSA-N 2 0 284.404 -0.312 20 0 CBADRP CNC(=O)C[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001393629074 900886536 /nfs/dbraw/zinc/88/65/36/900886536.db2.gz FFCDKYRYVDHFPT-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CC(N)=O ZINC001393747039 900903580 /nfs/dbraw/zinc/90/35/80/900903580.db2.gz VYWMPIXNNIZNDN-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001393815528 900912658 /nfs/dbraw/zinc/91/26/58/900912658.db2.gz KFYZGHGYCGLDGD-SDDRHHMPSA-N 2 0 286.420 -0.069 20 0 CBADRP CC[C@H](C(=O)NC1CC(C[NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001393905249 900929692 /nfs/dbraw/zinc/92/96/92/900929692.db2.gz BHFGYYTWENXFDU-HTAVTVPLSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1cnnn1C ZINC001393968963 900942800 /nfs/dbraw/zinc/94/28/00/900942800.db2.gz JJPMSNFJLVXGDK-QWRGUYRKSA-N 2 0 282.392 -0.250 20 0 CBADRP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CCn1cncn1 ZINC001393965957 900943104 /nfs/dbraw/zinc/94/31/04/900943104.db2.gz GBCYIDGBYBZJJY-RYUDHWBXSA-N 2 0 282.392 -0.287 20 0 CBADRP C[C@H]([NH2+]CCO)[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001394333040 901014422 /nfs/dbraw/zinc/01/44/22/901014422.db2.gz NVOPTRJSCFOMNP-JSGCOSHPSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+][C@H](C)C(N)=O ZINC001394540941 901046333 /nfs/dbraw/zinc/04/63/33/901046333.db2.gz RBMONAROMVICTM-GHMZBOCLSA-N 2 0 282.388 -0.608 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001394563812 901054185 /nfs/dbraw/zinc/05/41/85/901054185.db2.gz CAVLPHHBBOBHOY-RYUDHWBXSA-N 2 0 284.404 -0.348 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC(=O)N(C)C)CN1C(=O)C[NH+]1CCCC1 ZINC001394667294 901114888 /nfs/dbraw/zinc/11/48/88/901114888.db2.gz IJYAOPUIXCLPMF-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)CN1C(=O)C[NH+]1CCCC1 ZINC001394667300 901116269 /nfs/dbraw/zinc/11/62/69/901116269.db2.gz IJYAOPUIXCLPMF-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC(=O)N(C)C)CN1C(=O)CCC[NH+](C)C ZINC001394670527 901116387 /nfs/dbraw/zinc/11/63/87/901116387.db2.gz OBRQOQWTFFXYJA-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001394691488 901120657 /nfs/dbraw/zinc/12/06/57/901120657.db2.gz NFJQCGQGAUAPSU-LALPHHSUSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001395172949 901185714 /nfs/dbraw/zinc/18/57/14/901185714.db2.gz SWGMRDHQCIVXCE-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP C[NH+](C)CCCC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001397075879 901362071 /nfs/dbraw/zinc/36/20/71/901362071.db2.gz IAADFRWXPPZRRA-FRRDWIJNSA-N 2 0 296.415 -0.299 20 0 CBADRP Cn1ncnc1C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001397131343 901367163 /nfs/dbraw/zinc/36/71/63/901367163.db2.gz PYXTVESTTVIKFL-HAQNSBGRSA-N 2 0 294.403 -0.249 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001397138835 901367846 /nfs/dbraw/zinc/36/78/46/901367846.db2.gz VMNAHJMOTBQUQI-JHJVBQTASA-N 2 0 298.431 -0.053 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC)C1 ZINC001397137978 901368032 /nfs/dbraw/zinc/36/80/32/901368032.db2.gz SEYVCENKQSBQSU-HAQNSBGRSA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CC(N)=O)C1 ZINC001397763763 901451309 /nfs/dbraw/zinc/45/13/09/901451309.db2.gz CTAJZCIZNSNFNP-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001397801724 901456762 /nfs/dbraw/zinc/45/67/62/901456762.db2.gz HRFZWLFDHCBLQW-ZOBORPQBSA-N 2 0 299.415 -0.333 20 0 CBADRP CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCC[NH+]1C ZINC001397930455 901478795 /nfs/dbraw/zinc/47/87/95/901478795.db2.gz WHTNRVJYXMVGDZ-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCN1CC[NH+](CCO)CC1 ZINC001398275881 901518466 /nfs/dbraw/zinc/51/84/66/901518466.db2.gz CPFBARMNATYYGA-UHFFFAOYSA-N 2 0 286.420 -0.946 20 0 CBADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](C[C@H](O)COC)C1)[NH+](C)C ZINC001398309331 901519963 /nfs/dbraw/zinc/51/99/63/901519963.db2.gz MJIMVNLMANILIU-RWMBFGLXSA-N 2 0 287.404 -0.476 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]([NH2+]CC(=O)N(C)C)C1CC1)[NH+](C)C ZINC001398444676 901540004 /nfs/dbraw/zinc/54/00/04/901540004.db2.gz HSCIKZDGYIPGIP-STQMWFEESA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001398521584 901546611 /nfs/dbraw/zinc/54/66/11/901546611.db2.gz GCDDZGCXNJPSLZ-ZJUUUORDSA-N 2 0 279.344 -0.723 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001398534090 901550475 /nfs/dbraw/zinc/55/04/75/901550475.db2.gz SVIQHNLADCKCRH-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001398536531 901554068 /nfs/dbraw/zinc/55/40/68/901554068.db2.gz REKSQWBOZLZAHS-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001398536538 901554238 /nfs/dbraw/zinc/55/42/38/901554238.db2.gz REKSQWBOZLZAHS-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001398553936 901557415 /nfs/dbraw/zinc/55/74/15/901557415.db2.gz LIFGBAARVDOOHS-IJLUTSLNSA-N 2 0 282.388 -0.689 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001398555882 901558412 /nfs/dbraw/zinc/55/84/12/901558412.db2.gz FUISZGHODJXBKY-IJLUTSLNSA-N 2 0 282.388 -0.547 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001398559948 901561339 /nfs/dbraw/zinc/56/13/39/901561339.db2.gz BVFFOGYXVOEMIJ-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC1CN(C(=O)C[NH+]2CCCC2)C1 ZINC001398620680 901578282 /nfs/dbraw/zinc/57/82/82/901578282.db2.gz MULWQPDPEBWQGC-UHFFFAOYSA-N 2 0 296.415 -0.251 20 0 CBADRP CCC[N@H+](C)CC(=O)NC1CN(C(=O)CCC[NH+](C)C)C1 ZINC001398657873 901585294 /nfs/dbraw/zinc/58/52/94/901585294.db2.gz YBMRCSQARBHONN-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001398673344 901586964 /nfs/dbraw/zinc/58/69/64/901586964.db2.gz UCXUXUHMRBDHOY-XQHKEYJVSA-N 2 0 296.415 -0.302 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001398694253 901590554 /nfs/dbraw/zinc/59/05/54/901590554.db2.gz QCWVIWSRCJTOCD-UHFFFAOYSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC(N)=O ZINC001398982837 901645568 /nfs/dbraw/zinc/64/55/68/901645568.db2.gz QRDCZUUUGUUQNU-NSHDSACASA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@@H]1CCN(C)C1=O ZINC001399035976 901654404 /nfs/dbraw/zinc/65/44/04/901654404.db2.gz OOQUYBFSSDGLDI-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)N1CCC1 ZINC001399047742 901655439 /nfs/dbraw/zinc/65/54/39/901655439.db2.gz WKAYZASSJURIKF-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001399122329 901669364 /nfs/dbraw/zinc/66/93/64/901669364.db2.gz QXDWMCZAIOFNEP-QWRGUYRKSA-N 2 0 270.377 -0.832 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001399110679 901670721 /nfs/dbraw/zinc/67/07/21/901670721.db2.gz RSZIKXQVLNKRDK-WCQYABFASA-N 2 0 296.419 -0.004 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001399151400 901672564 /nfs/dbraw/zinc/67/25/64/901672564.db2.gz BUCPKPOSHJVPDL-AAEUAGOBSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+][C@@H]1CCNC1=O ZINC001399163809 901677984 /nfs/dbraw/zinc/67/79/84/901677984.db2.gz OFGVHSQLAPRDSZ-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001399187635 901680838 /nfs/dbraw/zinc/68/08/38/901680838.db2.gz SYTQOMUNRXMOGR-GXTWGEPZSA-N 2 0 298.431 -0.149 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001399226043 901684056 /nfs/dbraw/zinc/68/40/56/901684056.db2.gz AKSLKSBHISZNDT-NEPJUHHUSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@H]([NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001399230677 901686194 /nfs/dbraw/zinc/68/61/94/901686194.db2.gz CKVMPPYZPOODLM-NWDGAFQWSA-N 2 0 296.415 -0.360 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001399255795 901689059 /nfs/dbraw/zinc/68/90/59/901689059.db2.gz XTTGYWRZWKAKLT-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001399380176 901706839 /nfs/dbraw/zinc/70/68/39/901706839.db2.gz WAXGFGZMBNWBFL-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001399383725 901707673 /nfs/dbraw/zinc/70/76/73/901707673.db2.gz FAZVIVAUCJRSIU-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001399426105 901710959 /nfs/dbraw/zinc/71/09/59/901710959.db2.gz CSXLQBVZQGOKEL-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+]CC(N)=O ZINC001399439055 901722683 /nfs/dbraw/zinc/72/26/83/901722683.db2.gz YMEWLDMSORARFU-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP COC[C@H](O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001399486722 901732920 /nfs/dbraw/zinc/73/29/20/901732920.db2.gz QIZOFGIAZSNIDD-JHJVBQTASA-N 2 0 287.404 -0.618 20 0 CBADRP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCN2C[C@H]3C)C1 ZINC001457420107 914560656 /nfs/dbraw/zinc/56/06/56/914560656.db2.gz ZRTKVQVJZPGFSY-MCIONIFRSA-N 2 0 280.416 -0.073 20 0 CBADRP CCN(CCNC(=O)[C@@H]1CCCC[N@@H+]1C)CC(N)=O ZINC001399724227 901781590 /nfs/dbraw/zinc/78/15/90/901781590.db2.gz VLAATTMWBZPNBU-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001399955140 901841181 /nfs/dbraw/zinc/84/11/81/901841181.db2.gz RXEDVQPKAZGPHA-OLZOCXBDSA-N 2 0 296.415 -0.488 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001399955151 901843213 /nfs/dbraw/zinc/84/32/13/901843213.db2.gz RXEDVQPKAZGPHA-QWHCGFSZSA-N 2 0 296.415 -0.488 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001400054849 901866741 /nfs/dbraw/zinc/86/67/41/901866741.db2.gz MQBNKGNCQHGIHH-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001400066617 901869672 /nfs/dbraw/zinc/86/96/72/901869672.db2.gz HKTFJPCNKSCABP-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP CC[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001400063734 901871713 /nfs/dbraw/zinc/87/17/13/901871713.db2.gz FYDRHLSJKSPXRV-QWRGUYRKSA-N 2 0 270.377 -0.737 20 0 CBADRP CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001400066689 901871726 /nfs/dbraw/zinc/87/17/26/901871726.db2.gz HKTFJPCNKSCABP-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCN(C)C(=O)CC[N@H+](C)CC)C1=O ZINC001400066028 901872070 /nfs/dbraw/zinc/87/20/70/901872070.db2.gz NGTWYXXSEMBQKW-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001400807396 902020553 /nfs/dbraw/zinc/02/05/53/902020553.db2.gz UXMMTGQLDFTXRB-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001400831705 902023708 /nfs/dbraw/zinc/02/37/08/902023708.db2.gz OXTLKWUHKGHCLR-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001400831708 902024161 /nfs/dbraw/zinc/02/41/61/902024161.db2.gz OXTLKWUHKGHCLR-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)NC ZINC001400873379 902034014 /nfs/dbraw/zinc/03/40/14/902034014.db2.gz ZRXHHPCGBJMFIY-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H](CC)C(N)=O ZINC001400928708 902036782 /nfs/dbraw/zinc/03/67/82/902036782.db2.gz PIGKPWUNADAXQZ-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCNC2=O)CC1 ZINC001401062340 902045414 /nfs/dbraw/zinc/04/54/14/902045414.db2.gz VZIJHCJGNFRAFT-JHJVBQTASA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCNC2=O)CC1 ZINC001401062338 902046855 /nfs/dbraw/zinc/04/68/55/902046855.db2.gz VZIJHCJGNFRAFT-AVGNSLFASA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001401117668 902059247 /nfs/dbraw/zinc/05/92/47/902059247.db2.gz WRLRDSJEIYQKCI-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@H]1CCCNC1=O ZINC001401128176 902061102 /nfs/dbraw/zinc/06/11/02/902061102.db2.gz OPEYTBUUZORKMP-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001401245522 902091571 /nfs/dbraw/zinc/09/15/71/902091571.db2.gz PYTGKICRCZVNBT-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001401246212 902091637 /nfs/dbraw/zinc/09/16/37/902091637.db2.gz XXYMMBOLEXYZEU-RYUDHWBXSA-N 2 0 286.420 -0.149 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001401265017 902097061 /nfs/dbraw/zinc/09/70/61/902097061.db2.gz YDQMNMPQDMEENQ-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1)C(=O)N(C)C ZINC001401255590 902097128 /nfs/dbraw/zinc/09/71/28/902097128.db2.gz HKOHUXNHBHKBOL-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001401435010 902122150 /nfs/dbraw/zinc/12/21/50/902122150.db2.gz GWVPDMWVOQMRNS-OLZOCXBDSA-N 2 0 287.404 -0.664 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccccn1 ZINC001401556568 902165164 /nfs/dbraw/zinc/16/51/64/902165164.db2.gz MNVOYFTWEWSUMK-ZIAGYGMSSA-N 2 0 292.383 -0.258 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CC[NH2+][C@H](C)C(N)=O ZINC001401605503 902184358 /nfs/dbraw/zinc/18/43/58/902184358.db2.gz PSVNRCMXERXYHR-WDEREUQCSA-N 2 0 272.393 -0.315 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001401685226 902230477 /nfs/dbraw/zinc/23/04/77/902230477.db2.gz JWEMEGUTHMKYIG-UWVGGRQHSA-N 2 0 270.377 -0.561 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001401949015 902323660 /nfs/dbraw/zinc/32/36/60/902323660.db2.gz VFJBKJCUXUKSMR-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001401975401 902329708 /nfs/dbraw/zinc/32/97/08/902329708.db2.gz HIGDPPYEDQKNEX-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001401984915 902331662 /nfs/dbraw/zinc/33/16/62/902331662.db2.gz HXCKKZLWVODXHU-GFCCVEGCSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCN2CC[NH+](CCO)CC2)CC[N@@H+]1C ZINC001402104366 902357234 /nfs/dbraw/zinc/35/72/34/902357234.db2.gz QFBAZPPRLHOZOU-ZIAGYGMSSA-N 2 0 298.431 -0.947 20 0 CBADRP C[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001402242627 902392654 /nfs/dbraw/zinc/39/26/54/902392654.db2.gz VBRWAJOGLJPXPB-QWHCGFSZSA-N 2 0 299.415 -0.284 20 0 CBADRP COC[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001402290713 902413251 /nfs/dbraw/zinc/41/32/51/902413251.db2.gz MUGHGPCRPNDNBT-DZGCQCFKSA-N 2 0 299.415 -0.330 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001402314233 902421644 /nfs/dbraw/zinc/42/16/44/902421644.db2.gz LQWPWMFQUDFWAW-QWHCGFSZSA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001402314220 902422293 /nfs/dbraw/zinc/42/22/93/902422293.db2.gz LQWPWMFQUDFWAW-CHWSQXEVSA-N 2 0 296.415 -0.170 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001402446948 902450989 /nfs/dbraw/zinc/45/09/89/902450989.db2.gz ZCCDYFNPKKMPPX-IHRRRGAJSA-N 2 0 299.415 -0.332 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001402546742 902476486 /nfs/dbraw/zinc/47/64/86/902476486.db2.gz FCFXZLKDNPYHTR-AVGNSLFASA-N 2 0 287.404 -0.429 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001402615713 902491327 /nfs/dbraw/zinc/49/13/27/902491327.db2.gz UJDNBYZUVDCWJY-GRYCIOLGSA-N 2 0 282.388 -0.547 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001402647432 902496943 /nfs/dbraw/zinc/49/69/43/902496943.db2.gz XEYJUZBRTITBAD-TXEJJXNPSA-N 2 0 294.403 -0.108 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001402645099 902498969 /nfs/dbraw/zinc/49/89/69/902498969.db2.gz NHASUJAEDRYOHH-FRRDWIJNSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]21)[NH+](C)C ZINC001402801444 902521016 /nfs/dbraw/zinc/52/10/16/902521016.db2.gz OXIUTFODDHZASX-IEECTRCBSA-N 2 0 296.415 -0.493 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)NC)[C@@H](C)C1 ZINC001402799542 902521725 /nfs/dbraw/zinc/52/17/25/902521725.db2.gz ZHTJYPNHFLSKFY-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CC(=O)N1CCC1 ZINC001402801713 902522368 /nfs/dbraw/zinc/52/23/68/902522368.db2.gz ZQDYHZJDESTXCC-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001402824844 902529095 /nfs/dbraw/zinc/52/90/95/902529095.db2.gz XHNPYGMTXNLFSZ-AVGNSLFASA-N 2 0 298.431 -0.055 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001402858190 902543011 /nfs/dbraw/zinc/54/30/11/902543011.db2.gz CJQRZLFMSGQUIE-RYUDHWBXSA-N 2 0 284.404 -0.301 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001402908701 902560353 /nfs/dbraw/zinc/56/03/53/902560353.db2.gz QAFWVZOAQHTZTR-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CNC(=O)C[NH2+]CC1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001402918715 902561523 /nfs/dbraw/zinc/56/15/23/902561523.db2.gz FCQYNFQISXKTPF-UHFFFAOYSA-N 2 0 296.415 -0.299 20 0 CBADRP Cc1cncn1CC(=O)NC[C@H](C)[NH2+]CCn1cncn1 ZINC001402956261 902572829 /nfs/dbraw/zinc/57/28/29/902572829.db2.gz VBOGGJLTOQJGIY-NSHDSACASA-N 2 0 291.359 -0.422 20 0 CBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403029756 902593919 /nfs/dbraw/zinc/59/39/19/902593919.db2.gz BUGMNQVRBACPCR-VHSXEESVSA-N 2 0 298.391 -0.957 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001403032687 902599452 /nfs/dbraw/zinc/59/94/52/902599452.db2.gz JHGRJCFVOFIEMD-NEPJUHHUSA-N 2 0 286.420 -0.055 20 0 CBADRP CC[C@@H]([NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001403042204 902599688 /nfs/dbraw/zinc/59/96/88/902599688.db2.gz IOKLWPUTUWHHRS-CMPLNLGQSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H](C)C(N)=O ZINC001403040621 902599821 /nfs/dbraw/zinc/59/98/21/902599821.db2.gz JOGSIKYMYOJVTJ-ZJUUUORDSA-N 2 0 270.377 -0.561 20 0 CBADRP COC[C@H](O)C[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001403057459 902602360 /nfs/dbraw/zinc/60/23/60/902602360.db2.gz YWTJKMRFCXGVHG-DGCLKSJQSA-N 2 0 287.404 -0.570 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@@H]1CCCNC1=O ZINC001403075483 902607354 /nfs/dbraw/zinc/60/73/54/902607354.db2.gz KPAQRVQETLENFL-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001403074560 902608436 /nfs/dbraw/zinc/60/84/36/902608436.db2.gz YARGQVBZBBXLLC-QWRGUYRKSA-N 2 0 284.404 -0.301 20 0 CBADRP CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001403083916 902610092 /nfs/dbraw/zinc/61/00/92/902610092.db2.gz TZFUVVBTGJKRAS-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP CC(C)NC(=O)CN(C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001403209786 902648457 /nfs/dbraw/zinc/64/84/57/902648457.db2.gz ZOGNCMGPWNOVNI-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)[C@@H](C)N(C)[C@H](C)CNC(=O)Cn1ccnc1 ZINC001403216071 902650503 /nfs/dbraw/zinc/65/05/03/902650503.db2.gz JLSXGLMCZJIOHF-GHMZBOCLSA-N 2 0 281.360 -0.546 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001403215402 902651101 /nfs/dbraw/zinc/65/11/01/902651101.db2.gz VJUAVPMZLJQTRY-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001403224567 902652862 /nfs/dbraw/zinc/65/28/62/902652862.db2.gz PAWOXRQYMKODFK-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001403427983 902687073 /nfs/dbraw/zinc/68/70/73/902687073.db2.gz SWDMMCPYDYCCRD-JHJVBQTASA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001403446899 902691861 /nfs/dbraw/zinc/69/18/61/902691861.db2.gz QDUFBFWVIOLCFZ-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001403446901 902692871 /nfs/dbraw/zinc/69/28/71/902692871.db2.gz QDUFBFWVIOLCFZ-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001403466596 902695421 /nfs/dbraw/zinc/69/54/21/902695421.db2.gz JWAAFJPACUSAPM-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP CNC(=O)C[N@H+](C)C1CCN(C(=O)Cn2ccnc2)CC1 ZINC001403466849 902695731 /nfs/dbraw/zinc/69/57/31/902695731.db2.gz KZYKDKBBJCJTBY-UHFFFAOYSA-N 2 0 293.371 -0.448 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001403466590 902696550 /nfs/dbraw/zinc/69/65/50/902696550.db2.gz JWAAFJPACUSAPM-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP CC(C)NC(=O)CN(C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001403507165 902708270 /nfs/dbraw/zinc/70/82/70/902708270.db2.gz METYBMZSMQTKBX-LBPRGKRZSA-N 2 0 284.404 -0.347 20 0 CBADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001403522364 902712949 /nfs/dbraw/zinc/71/29/49/902712949.db2.gz IYSNXTRFBJXAAW-QWHCGFSZSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+][C@H]1CCN(C)C1=O ZINC001403583280 902740493 /nfs/dbraw/zinc/74/04/93/902740493.db2.gz JTJJKLQFALYHHN-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC(N)=O ZINC001403594721 902741314 /nfs/dbraw/zinc/74/13/14/902741314.db2.gz JBQKNYCPUDEEMR-SRVKXCTJSA-N 2 0 284.404 -0.362 20 0 CBADRP C[N@H+](CCNC(=O)C1CC1)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001403644796 902769318 /nfs/dbraw/zinc/76/93/18/902769318.db2.gz WXVFYBXFVPVUFD-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@@H](CO)[NH2+]C[C@H]2CCOC2)CC1 ZINC001403708446 902817373 /nfs/dbraw/zinc/81/73/73/902817373.db2.gz NNDJPVUCDVDVHP-OLZOCXBDSA-N 2 0 299.415 -0.569 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001403969448 902918483 /nfs/dbraw/zinc/91/84/83/902918483.db2.gz TUOXCQNJQKEUMT-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001404004262 902923575 /nfs/dbraw/zinc/92/35/75/902923575.db2.gz KPAGODZNURUSFH-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CNC(=O)C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001404012230 902926479 /nfs/dbraw/zinc/92/64/79/902926479.db2.gz BPXMXNAXYJNBOS-HIFPTAJRSA-N 2 0 296.415 -0.347 20 0 CBADRP NC(=O)C[N@@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001404106489 902937371 /nfs/dbraw/zinc/93/73/71/902937371.db2.gz RBVWERPWVOIKTJ-CYBMUJFWSA-N 2 0 296.415 -0.214 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001404329525 902972743 /nfs/dbraw/zinc/97/27/43/902972743.db2.gz TXFHHKKLIPJCEZ-SRVKXCTJSA-N 2 0 284.404 -0.362 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001404329825 902972572 /nfs/dbraw/zinc/97/25/72/902972572.db2.gz RPXMVMOBFHUYTB-LLVKDONJSA-N 2 0 284.404 -0.489 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCN1C(=O)CC[NH+](C)C ZINC001458769795 914679187 /nfs/dbraw/zinc/67/91/87/914679187.db2.gz RJSWPNKVGWVDJB-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001404429195 902982882 /nfs/dbraw/zinc/98/28/82/902982882.db2.gz BVBZFFVMUBRWSA-LBPRGKRZSA-N 2 0 294.399 -0.639 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001404519092 902995914 /nfs/dbraw/zinc/99/59/14/902995914.db2.gz PBPUVLVIPZYJBT-QWHCGFSZSA-N 2 0 296.415 -0.358 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CC(N)=O)C1 ZINC001404610652 903003521 /nfs/dbraw/zinc/00/35/21/903003521.db2.gz ZGYXBXLOFFQAGS-LBPRGKRZSA-N 2 0 284.404 -0.408 20 0 CBADRP COC[C@H](O)C[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001404917866 903053832 /nfs/dbraw/zinc/05/38/32/903053832.db2.gz DAPCAWXHCFTIIO-GXTWGEPZSA-N 2 0 299.415 -0.617 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H]1CCN1C(=O)CC[NH+](C)C)[NH+](C)C ZINC001458815312 914682958 /nfs/dbraw/zinc/68/29/58/914682958.db2.gz HABLLZHWPUQWSD-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC(N)=O ZINC001405304996 903141689 /nfs/dbraw/zinc/14/16/89/903141689.db2.gz MYUXHDIKEWIONM-LLVKDONJSA-N 2 0 286.420 -0.066 20 0 CBADRP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC(=O)NC ZINC001405298330 903142027 /nfs/dbraw/zinc/14/20/27/903142027.db2.gz JETTZKGGCUQYTC-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CCO ZINC001405336384 903147112 /nfs/dbraw/zinc/14/71/12/903147112.db2.gz CNSWUTYHKZETHA-QWHCGFSZSA-N 2 0 287.404 -0.569 20 0 CBADRP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H](CC)C(N)=O ZINC001405333511 903147812 /nfs/dbraw/zinc/14/78/12/903147812.db2.gz JQDAHSSKWWLUII-RYUDHWBXSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]CC(N)=O ZINC001405362290 903155531 /nfs/dbraw/zinc/15/55/31/903155531.db2.gz GFYXYYXTLRKWGE-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001405591569 903182751 /nfs/dbraw/zinc/18/27/51/903182751.db2.gz FJKUCYZOKBNDSV-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+](C)C)C[NH2+][C@H]1CCN(C)C1=O ZINC001405689185 903201060 /nfs/dbraw/zinc/20/10/60/903201060.db2.gz GNOCOEGCZLYPSM-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001405723394 903208164 /nfs/dbraw/zinc/20/81/64/903208164.db2.gz BIQQEDXWHUSYTB-GHMZBOCLSA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+][C@@H](C)C(N)=O ZINC001405723396 903209967 /nfs/dbraw/zinc/20/99/67/903209967.db2.gz BIQQEDXWHUSYTB-MNOVXSKESA-N 2 0 282.388 -0.702 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001405824514 903228731 /nfs/dbraw/zinc/22/87/31/903228731.db2.gz ZCXWPQUDUVZKCG-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001405834001 903231968 /nfs/dbraw/zinc/23/19/68/903231968.db2.gz MQWSSEVZQXSKCV-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001405846622 903234178 /nfs/dbraw/zinc/23/41/78/903234178.db2.gz CSIHDHLCSDEJRO-GFCCVEGCSA-N 2 0 298.431 -0.147 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001405849890 903237156 /nfs/dbraw/zinc/23/71/56/903237156.db2.gz OPKGHHDLRHULQE-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001405875438 903240887 /nfs/dbraw/zinc/24/08/87/903240887.db2.gz UEOKWVILAWLJFR-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001405875509 903243385 /nfs/dbraw/zinc/24/33/85/903243385.db2.gz VALHBUKWMGRHKM-NWDGAFQWSA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001406060627 903259527 /nfs/dbraw/zinc/25/95/27/903259527.db2.gz CLGINTDEQUGSLV-GHMZBOCLSA-N 2 0 270.377 -0.846 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]([NH2+][C@@H]1CCNC1=O)C(C)C ZINC001406073312 903264751 /nfs/dbraw/zinc/26/47/51/903264751.db2.gz NNURWCFGODJMQM-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)on1 ZINC001406281737 903337732 /nfs/dbraw/zinc/33/77/32/903337732.db2.gz HWYGPMDGYBMLRQ-NEPJUHHUSA-N 2 0 296.371 -0.499 20 0 CBADRP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)on1 ZINC001406281761 903338589 /nfs/dbraw/zinc/33/85/89/903338589.db2.gz HWYGPMDGYBMLRQ-VXGBXAGGSA-N 2 0 296.371 -0.499 20 0 CBADRP C[C@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)CCc1c[nH]cn1 ZINC001406293064 903341684 /nfs/dbraw/zinc/34/16/84/903341684.db2.gz BBUYVNJTNVMMIK-ZYHUDNBSSA-N 2 0 293.371 -0.285 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001406301044 903347834 /nfs/dbraw/zinc/34/78/34/903347834.db2.gz ADCSSRBBMGSKOR-YNEHKIRRSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001406303869 903350590 /nfs/dbraw/zinc/35/05/90/903350590.db2.gz BLPAAJQXUJLTTA-DGCLKSJQSA-N 2 0 296.415 -0.299 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)CC[NH+](C)C ZINC001406334846 903359544 /nfs/dbraw/zinc/35/95/44/903359544.db2.gz WAMCZIQKJFRTIS-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001406326702 903360712 /nfs/dbraw/zinc/36/07/12/903360712.db2.gz MRGCQKRLZLJTNC-OLZOCXBDSA-N 2 0 298.431 -0.101 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001406393583 903385671 /nfs/dbraw/zinc/38/56/71/903385671.db2.gz QMFURWQETAAVDB-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(=O)NC1CC1)NC(=O)CC[NH+](C)C ZINC001406405062 903389821 /nfs/dbraw/zinc/38/98/21/903389821.db2.gz LAHLMNKXICCVCS-GHMZBOCLSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)Cc1c[nH]cn1 ZINC001406413422 903394316 /nfs/dbraw/zinc/39/43/16/903394316.db2.gz XCQBJVALRAXXIW-LLVKDONJSA-N 2 0 293.371 -0.331 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001406543388 903430442 /nfs/dbraw/zinc/43/04/42/903430442.db2.gz JDBIOKJVGFOLOC-AVGNSLFASA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@@H](C[NH2+]Cc1nccn1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001406562027 903433689 /nfs/dbraw/zinc/43/36/89/903433689.db2.gz PEDVZXMVLOTRLU-NWDGAFQWSA-N 2 0 279.388 -0.034 20 0 CBADRP CC(C)[C@H](C(=O)NCC1([NH2+]CC(N)=O)CC1)[NH+](C)C ZINC001406952006 903517196 /nfs/dbraw/zinc/51/71/96/903517196.db2.gz HHSDUFOTKZHKSA-LLVKDONJSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1)C(N)=O ZINC001406965203 903521879 /nfs/dbraw/zinc/52/18/79/903521879.db2.gz UYSUEQKIHDCKJS-JTQLQIEISA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001406986290 903524514 /nfs/dbraw/zinc/52/45/14/903524514.db2.gz HRUHYWOIIQKNHI-WDEREUQCSA-N 2 0 282.388 -0.560 20 0 CBADRP COC[C@@H](O)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001406990118 903525554 /nfs/dbraw/zinc/52/55/54/903525554.db2.gz SICBUZMRAARPLC-STQMWFEESA-N 2 0 299.415 -0.426 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001406987453 903525840 /nfs/dbraw/zinc/52/58/40/903525840.db2.gz UZOQXNOOAKWDJN-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1(O)CN(C[C@H]2CCOC2)C1 ZINC001407485295 903618849 /nfs/dbraw/zinc/61/88/49/903618849.db2.gz ZOBUITJKUUBWIH-CYBMUJFWSA-N 2 0 299.415 -0.472 20 0 CBADRP C[N@H+](CC(=O)NC[C@@H]1CN(CCO)CCO1)C1CCC1 ZINC001407488645 903620080 /nfs/dbraw/zinc/62/00/80/903620080.db2.gz KAABHHGHZGGNPN-CYBMUJFWSA-N 2 0 285.388 -0.720 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001407789101 903658974 /nfs/dbraw/zinc/65/89/74/903658974.db2.gz ZJZUHHBXGHQUOL-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+]1CCC(C(=O)NCC2([NH2+]CC(N)=O)CCC2)CC1 ZINC001407797989 903662525 /nfs/dbraw/zinc/66/25/25/903662525.db2.gz LLFGYZCSZPGJOU-UHFFFAOYSA-N 2 0 282.388 -0.558 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001407831138 903665714 /nfs/dbraw/zinc/66/57/14/903665714.db2.gz PQYQKYIVSNMRMG-LLVKDONJSA-N 2 0 282.388 -0.687 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001407831143 903665985 /nfs/dbraw/zinc/66/59/85/903665985.db2.gz PQYQKYIVSNMRMG-NSHDSACASA-N 2 0 282.388 -0.687 20 0 CBADRP CC[C@@H](C(=O)N(C)CCC[N@H+](C)CC(N)=O)[NH+](C)C ZINC001407921617 903678484 /nfs/dbraw/zinc/67/84/84/903678484.db2.gz PPKUHMCGUKHSRH-NSHDSACASA-N 2 0 272.393 -0.408 20 0 CBADRP CN(CCC[N@H+](C)[C@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001407927096 903680434 /nfs/dbraw/zinc/68/04/34/903680434.db2.gz QKWHOXSLBVGMCE-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001408078652 903706370 /nfs/dbraw/zinc/70/63/70/903706370.db2.gz QHJAMQDUKCKDSJ-MJBXVCDLSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001408078650 903706426 /nfs/dbraw/zinc/70/64/26/903706426.db2.gz QHJAMQDUKCKDSJ-MCIONIFRSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001408173092 903723810 /nfs/dbraw/zinc/72/38/10/903723810.db2.gz HERBWNLZRAVULX-AVGNSLFASA-N 2 0 287.404 -0.428 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CCNC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001408200149 903728387 /nfs/dbraw/zinc/72/83/87/903728387.db2.gz YXJOCXVQHMQGMI-WDEREUQCSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(N)=O ZINC001408212242 903732642 /nfs/dbraw/zinc/73/26/42/903732642.db2.gz PQSHEYBIHCZOQR-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP C[NH+](C)CCC(=O)N1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001409130375 903856767 /nfs/dbraw/zinc/85/67/67/903856767.db2.gz JMWPJFUHSYCWGZ-ZDUSSCGKSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CCn1cncn1 ZINC001409618159 903943310 /nfs/dbraw/zinc/94/33/10/903943310.db2.gz BVLNUUOTMVYYTK-LBPRGKRZSA-N 2 0 282.392 -0.334 20 0 CBADRP CCCC[C@H](C[NH2+]CC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001409851478 903974387 /nfs/dbraw/zinc/97/43/87/903974387.db2.gz TXJFNDDRSBDZJL-GFCCVEGCSA-N 2 0 296.415 -0.168 20 0 CBADRP COC[C@H](O)C[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001409945868 903984441 /nfs/dbraw/zinc/98/44/41/903984441.db2.gz PTYSXUQXBAHCFA-WCQYABFASA-N 2 0 287.404 -0.618 20 0 CBADRP COC[C@@H](O)C[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001409961792 903990250 /nfs/dbraw/zinc/99/02/50/903990250.db2.gz BVABIMJESNJZPA-OCCSQVGLSA-N 2 0 299.415 -0.474 20 0 CBADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001410206161 904044603 /nfs/dbraw/zinc/04/46/03/904044603.db2.gz CYRKYPWWUCGVHR-JOCQHMNTSA-N 2 0 296.415 -0.312 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC001410211874 904044770 /nfs/dbraw/zinc/04/47/70/904044770.db2.gz PXGAIGQOWBSFDO-DDHJBXDOSA-N 2 0 284.404 -0.315 20 0 CBADRP CNC(=O)C[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001410245610 904051627 /nfs/dbraw/zinc/05/16/27/904051627.db2.gz BKWSCNKFXSVSRQ-UHFFFAOYSA-N 2 0 284.404 -0.393 20 0 CBADRP CC(C)[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC(N)=O ZINC001410285036 904055085 /nfs/dbraw/zinc/05/50/85/904055085.db2.gz ZUBADHLXKLEBNT-GFCCVEGCSA-N 2 0 284.404 -0.312 20 0 CBADRP CC(C)[C@H](C(=O)N(C)[C@H](C[NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001410335361 904071351 /nfs/dbraw/zinc/07/13/51/904071351.db2.gz UZMLGVHZAXMMAN-TZMCWYRMSA-N 2 0 298.431 -0.116 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)N(C)C ZINC001410392353 904086058 /nfs/dbraw/zinc/08/60/58/904086058.db2.gz KBVBYNHFXBCFGB-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)C[NH+]1CCCC1 ZINC001410376519 904086238 /nfs/dbraw/zinc/08/62/38/904086238.db2.gz ZOUMOEJNQDZANH-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CN(C)C(=O)CCc1nccn1C)[NH2+][C@@H](C)C(N)=O ZINC001410436979 904099318 /nfs/dbraw/zinc/09/93/18/904099318.db2.gz XAMTUOZUTAHUHR-MNOVXSKESA-N 2 0 295.387 -0.337 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC001410526826 904112286 /nfs/dbraw/zinc/11/22/86/904112286.db2.gz XUOYZWSQLFPNFI-GHMZBOCLSA-N 2 0 272.393 -0.363 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@@H](CO)[NH2+]C[C@H]2CCOC2)CCC1 ZINC001410652233 904149888 /nfs/dbraw/zinc/14/98/88/904149888.db2.gz JDLVKZHITVPNQZ-OLZOCXBDSA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@@H](C(=O)NC[C@H](CO)[NH2+]CCO)[NH+]1CCCCCC1 ZINC001410732407 904174719 /nfs/dbraw/zinc/17/47/19/904174719.db2.gz SPHWOFWOECWNSC-QWHCGFSZSA-N 2 0 287.404 -0.690 20 0 CBADRP C[NH+](C)CCC(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001410825837 904191748 /nfs/dbraw/zinc/19/17/48/904191748.db2.gz OWBMXSJAIULCBG-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001410867359 904198651 /nfs/dbraw/zinc/19/86/51/904198651.db2.gz PTEUTXWJFQHRBZ-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001410867317 904199111 /nfs/dbraw/zinc/19/91/11/904199111.db2.gz PTEUTXWJFQHRBZ-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001411075188 904229843 /nfs/dbraw/zinc/22/98/43/904229843.db2.gz BBLFLCCCRINQQH-RYUDHWBXSA-N 2 0 287.404 -0.882 20 0 CBADRP COCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C[C@@H](C)O ZINC001411213303 904262493 /nfs/dbraw/zinc/26/24/93/904262493.db2.gz FOUNOMRFKVDCTH-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP COC[C@H](O)C[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001411249446 904272558 /nfs/dbraw/zinc/27/25/58/904272558.db2.gz WYIBLIUVMVOZDW-WXRRBKDZSA-N 2 0 287.404 -0.476 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)N(C)C(=O)CC[NH+](C)C ZINC001411506544 904309942 /nfs/dbraw/zinc/30/99/42/904309942.db2.gz FNDHWTOVJRBFFF-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+]1CCN(CCNC(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001411619102 904325608 /nfs/dbraw/zinc/32/56/08/904325608.db2.gz QKGMBNJHZHFEEA-CYBMUJFWSA-N 2 0 286.395 -0.216 20 0 CBADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C[N@H+](C)[C@@H]3CCC[C@H]3O)C[C@H]21 ZINC001412939660 904815927 /nfs/dbraw/zinc/81/59/27/904815927.db2.gz JFFQGQWRVBRZID-OKWIKPQFSA-N 2 0 281.400 -0.150 20 0 CBADRP CC[N@H+](C)[C@H]1CCN(C[C@@H](O)C[NH+](C)CCOC)C1 ZINC001460993486 914848787 /nfs/dbraw/zinc/84/87/87/914848787.db2.gz TXQJKEUROUCWTO-KBPBESRZSA-N 2 0 273.421 -0.049 20 0 CBADRP CC[NH+]1CCC(C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001413240409 904978799 /nfs/dbraw/zinc/97/87/99/904978799.db2.gz WGXRNHAFHSVIQE-TXEJJXNPSA-N 2 0 282.388 -0.763 20 0 CBADRP Nc1nc(N2CC[NH2+][C@H](c3ccc(O)cc3)C2)nc(N)[nH+]1 ZINC001413919196 905270859 /nfs/dbraw/zinc/27/08/59/905270859.db2.gz QEXZGHABVPIWJI-JTQLQIEISA-N 2 0 287.327 -0.108 20 0 CBADRP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001416939220 905841957 /nfs/dbraw/zinc/84/19/57/905841957.db2.gz GDDATNVFWJOKLV-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001417991647 906130482 /nfs/dbraw/zinc/13/04/82/906130482.db2.gz ANDSDHOLQUMBKD-LBPRGKRZSA-N 2 0 284.404 -0.489 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001418007893 906134074 /nfs/dbraw/zinc/13/40/74/906134074.db2.gz BXGZWFFUCJGOAQ-CMPLNLGQSA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001418044174 906144790 /nfs/dbraw/zinc/14/47/90/906144790.db2.gz NZNYATGJFHNJNE-RYUDHWBXSA-N 2 0 284.404 -0.395 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001418044688 906145200 /nfs/dbraw/zinc/14/52/00/906145200.db2.gz UUJFDNWYEBPNLN-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001418052099 906147654 /nfs/dbraw/zinc/14/76/54/906147654.db2.gz VDGBOBVIDWPAJF-OLZOCXBDSA-N 2 0 298.431 -0.006 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001418061274 906154796 /nfs/dbraw/zinc/15/47/96/906154796.db2.gz ADVKWRJFYNTXBX-CKYFFXLPSA-N 2 0 270.377 -0.705 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001418063403 906155465 /nfs/dbraw/zinc/15/54/65/906155465.db2.gz DJBYLOUVGYLHSF-IJLUTSLNSA-N 2 0 296.415 -0.301 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001418065074 906155535 /nfs/dbraw/zinc/15/55/35/906155535.db2.gz PFJURRBRSFACEJ-HAQNSBGRSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncnn2C)C1)[NH+](C)C ZINC001418102285 906169094 /nfs/dbraw/zinc/16/90/94/906169094.db2.gz DCNBNQOQSOFEMF-TUAOUCFPSA-N 2 0 294.403 -0.108 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001418108283 906172656 /nfs/dbraw/zinc/17/26/56/906172656.db2.gz HIEIEDHTZZFBBW-TXEJJXNPSA-N 2 0 284.404 -0.347 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001418144390 906179248 /nfs/dbraw/zinc/17/92/48/906179248.db2.gz NZGVSHVXRIBGLB-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP CCn1nncc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001418209962 906208539 /nfs/dbraw/zinc/20/85/39/906208539.db2.gz FTBYIQRTZDMSMX-YPMHNXCESA-N 2 0 294.403 -0.014 20 0 CBADRP CCn1nncc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001418209961 906210252 /nfs/dbraw/zinc/21/02/52/906210252.db2.gz FTBYIQRTZDMSMX-WCQYABFASA-N 2 0 294.403 -0.014 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001418232072 906228074 /nfs/dbraw/zinc/22/80/74/906228074.db2.gz BRKQOXIHIZKKHH-GHMZBOCLSA-N 2 0 284.404 -0.301 20 0 CBADRP CCN1CC[C@@H]([NH2+][C@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001418269915 906249773 /nfs/dbraw/zinc/24/97/73/906249773.db2.gz SWEIDAPROGBMNB-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@@H]1CCNC1=O ZINC001418264841 906250387 /nfs/dbraw/zinc/25/03/87/906250387.db2.gz DGOZHFBVYZALOV-CMPLNLGQSA-N 2 0 282.388 -0.689 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001418284014 906258925 /nfs/dbraw/zinc/25/89/25/906258925.db2.gz ZOVRYWAEKQHRQS-NSHDSACASA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@@H]([NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001418319789 906280613 /nfs/dbraw/zinc/28/06/13/906280613.db2.gz TWQRUTNRAKHIRI-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001418346902 906292808 /nfs/dbraw/zinc/29/28/08/906292808.db2.gz VFPULBJXQYXRPY-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001418346011 906293307 /nfs/dbraw/zinc/29/33/07/906293307.db2.gz TWSBIYDMVUSWPE-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP C[C@H](CCNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H]1CCNC1=O ZINC001418415286 906310498 /nfs/dbraw/zinc/31/04/98/906310498.db2.gz BBEKBERRYBJEPO-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP CCCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001418433589 906320285 /nfs/dbraw/zinc/32/02/85/906320285.db2.gz SGMYJJBAWCXWIF-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C[C@H](O)COC ZINC001418538486 906398728 /nfs/dbraw/zinc/39/87/28/906398728.db2.gz DPXURAFTLZUJQH-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[N@H+](CCNC(=O)CC[NH+](C)C)[C@@H]1CCNC1=O ZINC001418564240 906412272 /nfs/dbraw/zinc/41/22/72/906412272.db2.gz DAAVYONLMIEKBW-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001418590862 906419450 /nfs/dbraw/zinc/41/94/50/906419450.db2.gz AMZFPMWCFQSXFP-QWHCGFSZSA-N 2 0 287.404 -0.522 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001418681812 906445423 /nfs/dbraw/zinc/44/54/23/906445423.db2.gz GZYZHTDQPLUXKB-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP C[NH+](C)CCCC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001418699144 906448902 /nfs/dbraw/zinc/44/89/02/906448902.db2.gz IAADFRWXPPZRRA-JHJVBQTASA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001418692118 906449236 /nfs/dbraw/zinc/44/92/36/906449236.db2.gz RNCDNGRZMSAGOT-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001418825939 906488951 /nfs/dbraw/zinc/48/89/51/906488951.db2.gz IKJBGMBRCPQHTR-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC ZINC001418833355 906490470 /nfs/dbraw/zinc/49/04/70/906490470.db2.gz UPGWTKRRKSIKSO-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001418899084 906507336 /nfs/dbraw/zinc/50/73/36/906507336.db2.gz ASSRMDQGLAPMTC-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001418905465 906508027 /nfs/dbraw/zinc/50/80/27/906508027.db2.gz SCWAUKVVZYRSRT-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001418934850 906519735 /nfs/dbraw/zinc/51/97/35/906519735.db2.gz MFABOODNRZANMX-CHWSQXEVSA-N 2 0 296.415 -0.406 20 0 CBADRP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H]1CCNC1=O ZINC001419190766 906632857 /nfs/dbraw/zinc/63/28/57/906632857.db2.gz FMFFRXXYBHWZNG-NEPJUHHUSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@H]1CCNC1=O ZINC001419214550 906639976 /nfs/dbraw/zinc/63/99/76/906639976.db2.gz DEDBJGBULCUETR-OLZOCXBDSA-N 2 0 296.415 -0.299 20 0 CBADRP NC(=O)C[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001419251658 906653640 /nfs/dbraw/zinc/65/36/40/906653640.db2.gz JGERCUPWAPNVOE-GFCCVEGCSA-N 2 0 294.399 -0.416 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]([NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001419286726 906655672 /nfs/dbraw/zinc/65/56/72/906655672.db2.gz YMZPJOYTRHZFPL-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001419400019 906676907 /nfs/dbraw/zinc/67/69/07/906676907.db2.gz MXHOTVISAVLMQR-FDYHWXHSSA-N 2 0 296.415 -0.348 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001419421165 906682359 /nfs/dbraw/zinc/68/23/59/906682359.db2.gz BUKJPBOCARLDRC-SRVKXCTJSA-N 2 0 282.388 -0.737 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001419423601 906686105 /nfs/dbraw/zinc/68/61/05/906686105.db2.gz NTUYYKKIPZANQF-SRVKXCTJSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001419465066 906695041 /nfs/dbraw/zinc/69/50/41/906695041.db2.gz DDYZTOGIXOMTFM-GHMZBOCLSA-N 2 0 284.404 -0.314 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001419476693 906701311 /nfs/dbraw/zinc/70/13/11/906701311.db2.gz UQOKZYBVJUEVNB-TXEJJXNPSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]CC(=O)N(C)C ZINC001419490139 906705857 /nfs/dbraw/zinc/70/58/57/906705857.db2.gz YFRGUXYMZGWPEW-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001419509611 906709165 /nfs/dbraw/zinc/70/91/65/906709165.db2.gz NMPWSYZSBYJULB-SDDRHHMPSA-N 2 0 282.388 -0.689 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001419584839 906735477 /nfs/dbraw/zinc/73/54/77/906735477.db2.gz TWCMTEDSRRAENN-LLVKDONJSA-N 2 0 270.377 -0.748 20 0 CBADRP C[N@H+](CC(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001419603482 906740365 /nfs/dbraw/zinc/74/03/65/906740365.db2.gz YKNPOQHULGVVHR-ZDUSSCGKSA-N 2 0 296.415 -0.073 20 0 CBADRP CNC(=O)C[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001419683932 906764368 /nfs/dbraw/zinc/76/43/68/906764368.db2.gz QICHANAOQFQKFZ-HIFPTAJRSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001419680282 906764458 /nfs/dbraw/zinc/76/44/58/906764458.db2.gz FSSADUPVGBVBKT-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(N)=O)N(C)C(=O)CCC[NH+](C)C ZINC001419693991 906767963 /nfs/dbraw/zinc/76/79/63/906767963.db2.gz AEFMLSOLEGPWNU-GHMZBOCLSA-N 2 0 272.393 -0.362 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCn1cncn1 ZINC001419712069 906778615 /nfs/dbraw/zinc/77/86/15/906778615.db2.gz DZBUDGIOBBRKPS-RYUDHWBXSA-N 2 0 280.376 -0.533 20 0 CBADRP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001419714301 906779270 /nfs/dbraw/zinc/77/92/70/906779270.db2.gz SFTFJXUURYAVHA-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001419736746 906793351 /nfs/dbraw/zinc/79/33/51/906793351.db2.gz ALPJQOQCAYKAAB-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCn1cncn1 ZINC001419765931 906806484 /nfs/dbraw/zinc/80/64/84/906806484.db2.gz AJSRXYIOJPMFID-OLZOCXBDSA-N 2 0 294.403 -0.143 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCn1cncn1 ZINC001419765940 906808658 /nfs/dbraw/zinc/80/86/58/906808658.db2.gz AJSRXYIOJPMFID-STQMWFEESA-N 2 0 294.403 -0.143 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H]1CCN(C)C1=O ZINC001419831501 906828818 /nfs/dbraw/zinc/82/88/18/906828818.db2.gz GNPCTTZPWJZKGY-MNOVXSKESA-N 2 0 270.377 -0.737 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C ZINC001419838490 906833545 /nfs/dbraw/zinc/83/35/45/906833545.db2.gz ONTLWPJGQUXGCL-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001419909072 906853492 /nfs/dbraw/zinc/85/34/92/906853492.db2.gz QHBPOLNDWQMNTI-OLZOCXBDSA-N 2 0 298.431 -0.195 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419965600 906879035 /nfs/dbraw/zinc/87/90/35/906879035.db2.gz JSDAPXXMWLMDGP-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP CN(CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)CC(N)=O ZINC001419973689 906880040 /nfs/dbraw/zinc/88/00/40/906880040.db2.gz UNMMEZFVGVOFFL-NSHDSACASA-N 2 0 270.377 -0.654 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001420013631 906902117 /nfs/dbraw/zinc/90/21/17/906902117.db2.gz XJYQPPAZZHPVNI-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC(N)=O)CC1 ZINC001420112846 906947409 /nfs/dbraw/zinc/94/74/09/906947409.db2.gz IFGKBDHSWSPOTR-NEPJUHHUSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H]1CCNC1=O ZINC001420116196 906951170 /nfs/dbraw/zinc/95/11/70/906951170.db2.gz XTGGAOCZBPZSRT-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+][C@@H](C)C(N)=O ZINC001420124059 906958947 /nfs/dbraw/zinc/95/89/47/906958947.db2.gz GRZWJTXSAYOTOE-QWRGUYRKSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](CC[NH2+][C@H](C)C(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001420219346 907029939 /nfs/dbraw/zinc/02/99/39/907029939.db2.gz DLPWFGYMASLYKQ-VXGBXAGGSA-N 2 0 296.415 -0.027 20 0 CBADRP CC[C@H]([NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C(N)=O ZINC001420299933 907087126 /nfs/dbraw/zinc/08/71/26/907087126.db2.gz MPCCKIKIPWPVCK-WOPDTQHZSA-N 2 0 286.420 -0.069 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001420336426 907109314 /nfs/dbraw/zinc/10/93/14/907109314.db2.gz AGCXQFORHQNIIU-XQQFMLRXSA-N 2 0 287.404 -0.570 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001420424043 907154097 /nfs/dbraw/zinc/15/40/97/907154097.db2.gz OSXWTMFSQHWNDS-NWDGAFQWSA-N 2 0 284.404 -0.301 20 0 CBADRP CC[NH+](CCNC(=O)CC[N@@H+](C)CC)[C@@H]1CCNC1=O ZINC001420436162 907161724 /nfs/dbraw/zinc/16/17/24/907161724.db2.gz GEHUJALZLZYFJM-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420457214 907171304 /nfs/dbraw/zinc/17/13/04/907171304.db2.gz IMZRXLWEFGSBRG-QWRGUYRKSA-N 2 0 282.388 -0.689 20 0 CBADRP Cc1cncn1CC(=O)NC[C@H]1CCCN1[C@H](C)C(N)=O ZINC001420467709 907175258 /nfs/dbraw/zinc/17/52/58/907175258.db2.gz KDBZOMQCEZZVQH-VXGBXAGGSA-N 2 0 293.371 -0.354 20 0 CBADRP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001420555159 907213879 /nfs/dbraw/zinc/21/38/79/907213879.db2.gz HAMKWKWIKSMPHY-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@@H](C)C(=O)NC)C1 ZINC001420555113 907214034 /nfs/dbraw/zinc/21/40/34/907214034.db2.gz WZIJROOTFOADQD-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001420571888 907219573 /nfs/dbraw/zinc/21/95/73/907219573.db2.gz ZPQJZJREENETPO-VXGBXAGGSA-N 2 0 282.388 -0.748 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001420726567 907283096 /nfs/dbraw/zinc/28/30/96/907283096.db2.gz MLOBPLYJFVNAPG-JTQLQIEISA-N 2 0 270.377 -0.750 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@H](C)C(N)=O)[NH+](C)C ZINC001420735533 907288494 /nfs/dbraw/zinc/28/84/94/907288494.db2.gz AYSWIRNXJDYDGW-MNOVXSKESA-N 2 0 272.393 -0.506 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)CC[N@@H+]1C ZINC001420736804 907290719 /nfs/dbraw/zinc/29/07/19/907290719.db2.gz MMHBRDVFZKXLBJ-YNEHKIRRSA-N 2 0 296.415 -0.314 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001420788389 907297259 /nfs/dbraw/zinc/29/72/59/907297259.db2.gz CMPRXCBVWLHSMB-YPMHNXCESA-N 2 0 284.404 -0.458 20 0 CBADRP CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001420930605 907363113 /nfs/dbraw/zinc/36/31/13/907363113.db2.gz DUCMYRXTOFDKFY-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC1([NH2+]CCO)CC1 ZINC001420955918 907369205 /nfs/dbraw/zinc/36/92/05/907369205.db2.gz RCVCVGOWRJAWEE-UHFFFAOYSA-N 2 0 299.415 -0.425 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC(C[N@H+](C)CC(N)=O)CC1 ZINC001420950143 907370063 /nfs/dbraw/zinc/37/00/63/907370063.db2.gz NWEQTJCSCPGLJY-UHFFFAOYSA-N 2 0 298.431 -0.016 20 0 CBADRP CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001502026408 921319692 /nfs/dbraw/zinc/31/96/92/921319692.db2.gz QOVJHACJVRWPQT-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP COC[C@H](O)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001420996025 907384244 /nfs/dbraw/zinc/38/42/44/907384244.db2.gz SICBUZMRAARPLC-QWHCGFSZSA-N 2 0 299.415 -0.426 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@](C)(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001421249012 907474796 /nfs/dbraw/zinc/47/47/96/907474796.db2.gz JYSJRUSTMBFDOB-DOMZBBRYSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NC)C1 ZINC001421249935 907475803 /nfs/dbraw/zinc/47/58/03/907475803.db2.gz ILVZSPOTBQMRBK-HNNXBMFYSA-N 2 0 298.431 -0.098 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001421356385 907507162 /nfs/dbraw/zinc/50/71/62/907507162.db2.gz ZHBGFFKCDCJYNA-HIFRSBDPSA-N 2 0 299.415 -0.596 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCO[C@H](C[NH2+]CCO)C1)[NH+](C)C ZINC001502061218 921329624 /nfs/dbraw/zinc/32/96/24/921329624.db2.gz VIUNVSCMJXTCOV-OLZOCXBDSA-N 2 0 287.404 -0.618 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC(N)=O ZINC001421421374 907537499 /nfs/dbraw/zinc/53/74/99/907537499.db2.gz NQGJKXUUHPHUJA-RYUDHWBXSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]CC(=O)NC ZINC001421422027 907540351 /nfs/dbraw/zinc/54/03/51/907540351.db2.gz YSIIWMHDRQKYNH-AAEUAGOBSA-N 2 0 286.420 -0.197 20 0 CBADRP CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]CC(=O)N(C)C ZINC001421472714 907559671 /nfs/dbraw/zinc/55/96/71/907559671.db2.gz QCBXUWRHTAIWNR-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]CC(=O)N(C)C ZINC001421472718 907559925 /nfs/dbraw/zinc/55/99/25/907559925.db2.gz QCBXUWRHTAIWNR-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CC(N)=O)C2 ZINC001421515342 907572970 /nfs/dbraw/zinc/57/29/70/907572970.db2.gz KPTKQZUXMURQBK-AVGNSLFASA-N 2 0 296.415 -0.217 20 0 CBADRP COCC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001502086295 921334928 /nfs/dbraw/zinc/33/49/28/921334928.db2.gz BWFUTXYYIALNHC-CYBMUJFWSA-N 2 0 297.399 -0.454 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001421559516 907581171 /nfs/dbraw/zinc/58/11/71/907581171.db2.gz KRIXJJNTZFWDKM-ABAIWWIYSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001502087867 921334995 /nfs/dbraw/zinc/33/49/95/921334995.db2.gz UBKGSPSDYQYNNR-QWHCGFSZSA-N 2 0 297.399 -0.720 20 0 CBADRP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1)[NH+](C)C ZINC001421603532 907591416 /nfs/dbraw/zinc/59/14/16/907591416.db2.gz QAPJXYQDFPFROE-IJLUTSLNSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001421659553 907604966 /nfs/dbraw/zinc/60/49/66/907604966.db2.gz SLPYUARCSZHKME-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+](C)C)C[NH2+][C@H]1CCNC1=O ZINC001421749089 907632621 /nfs/dbraw/zinc/63/26/21/907632621.db2.gz VBTTWVGMBMWOIV-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001421749962 907633114 /nfs/dbraw/zinc/63/31/14/907633114.db2.gz KBTRUUXVKOOLFJ-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001421748716 907633316 /nfs/dbraw/zinc/63/33/16/907633316.db2.gz JECYYBSZXXZROX-DGCLKSJQSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C)C(N)=O ZINC001421757859 907636236 /nfs/dbraw/zinc/63/62/36/907636236.db2.gz WGWBFFDFWVBTHJ-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1cnnn1C ZINC001421764203 907636885 /nfs/dbraw/zinc/63/68/85/907636885.db2.gz CZXURGVPPRIHEQ-VXGBXAGGSA-N 2 0 294.403 -0.391 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1cnon1 ZINC001421770473 907639256 /nfs/dbraw/zinc/63/92/56/907639256.db2.gz OGUGXKPHEXERDD-WDEREUQCSA-N 2 0 281.360 -0.137 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001421798578 907648240 /nfs/dbraw/zinc/64/82/40/907648240.db2.gz DYRGIFHBORXDBO-CHWSQXEVSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001421996815 907699424 /nfs/dbraw/zinc/69/94/24/907699424.db2.gz XESDDAMMNAXMIG-RYUDHWBXSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@H](C(=O)N1CCC(C)([NH2+]CC(N)=O)CC1)[NH+](C)C ZINC001422040618 907706293 /nfs/dbraw/zinc/70/62/93/907706293.db2.gz JKDMDYWQHHRBHU-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001502205506 921346366 /nfs/dbraw/zinc/34/63/66/921346366.db2.gz AKBVWIKCROBLEQ-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]([NH2+][C@H]1CCNC1=O)C(C)C ZINC001422128102 907719872 /nfs/dbraw/zinc/71/98/72/907719872.db2.gz BQPLCDQUPFHNJK-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@H](C)C(N)=O ZINC001422135757 907724179 /nfs/dbraw/zinc/72/41/79/907724179.db2.gz NLVPYXFXVFFPFJ-NEPJUHHUSA-N 2 0 286.420 -0.069 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001422133991 907726203 /nfs/dbraw/zinc/72/62/03/907726203.db2.gz NDKLHNYXOMKJKT-GFCCVEGCSA-N 2 0 296.415 -0.441 20 0 CBADRP C[NH+](C)CCC(=O)NC1(CO)CC[NH+](CCCO)CC1 ZINC001422202011 907742359 /nfs/dbraw/zinc/74/23/59/907742359.db2.gz VGXFMIPWEWLPFC-UHFFFAOYSA-N 2 0 287.404 -0.736 20 0 CBADRP O=C(NC1(CO)CC[NH+](CCO)CC1)C12CC[NH+](CC1)C2 ZINC001422189687 907742975 /nfs/dbraw/zinc/74/29/75/907742975.db2.gz ACIVASXCGAGLMN-UHFFFAOYSA-N 2 0 297.399 -0.982 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001502371894 921352197 /nfs/dbraw/zinc/35/21/97/921352197.db2.gz ZQJDHIQLNGLYJB-LBPRGKRZSA-N 2 0 298.431 -0.018 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001422408465 907845500 /nfs/dbraw/zinc/84/55/00/907845500.db2.gz VFKCWPSEQZSUNC-OLZOCXBDSA-N 2 0 285.388 -0.815 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)NC ZINC001422419940 907849239 /nfs/dbraw/zinc/84/92/39/907849239.db2.gz OSBOAIBZHJACPO-QWRGUYRKSA-N 2 0 272.393 -0.443 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001422470944 907874403 /nfs/dbraw/zinc/87/44/03/907874403.db2.gz OFNWBZAMBSWSIC-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(N)=O ZINC001422494214 907892854 /nfs/dbraw/zinc/89/28/54/907892854.db2.gz JHSOMWHVAMGAEP-GHMZBOCLSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001422539840 907911920 /nfs/dbraw/zinc/91/19/20/907911920.db2.gz DDFYNTYKQKGRNF-AGIUHOORSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)[C@@H]1CCNC1=O ZINC001422556392 907919651 /nfs/dbraw/zinc/91/96/51/907919651.db2.gz ZKLDBTGKXJBTQC-NWDGAFQWSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)[C@@H]1CCNC1=O ZINC001422548609 907921353 /nfs/dbraw/zinc/92/13/53/907921353.db2.gz DGPTZVIGPPPTSI-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)CC1CC[NH+](C)CC1 ZINC001422571518 907922581 /nfs/dbraw/zinc/92/25/81/907922581.db2.gz JILQQOCLZWOVIT-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001422557083 907926352 /nfs/dbraw/zinc/92/63/52/907926352.db2.gz AFKIJKYFLGEDGX-VXGBXAGGSA-N 2 0 284.404 -0.395 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001422557079 907927517 /nfs/dbraw/zinc/92/75/17/907927517.db2.gz AFKIJKYFLGEDGX-NWDGAFQWSA-N 2 0 284.404 -0.395 20 0 CBADRP CCN1CC[C@@H]([N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001422574766 907930901 /nfs/dbraw/zinc/93/09/01/907930901.db2.gz ZKPDWCLRPUAJDA-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CCn1cncn1 ZINC001422593298 907936874 /nfs/dbraw/zinc/93/68/74/907936874.db2.gz CACKDVIFPJJHJD-CYBMUJFWSA-N 2 0 294.403 -0.190 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C[NH+]1CCC(C)CC1 ZINC001422592747 907937120 /nfs/dbraw/zinc/93/71/20/907937120.db2.gz VXWRDGIAAKYQFI-OLZOCXBDSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001422596651 907937225 /nfs/dbraw/zinc/93/72/25/907937225.db2.gz JKVPZEXLBRVKTD-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001422588847 907938348 /nfs/dbraw/zinc/93/83/48/907938348.db2.gz HOSGOIOUXQYFLA-LLVKDONJSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCCNC1=O)[NH+](C)C ZINC001422661783 907969827 /nfs/dbraw/zinc/96/98/27/907969827.db2.gz UXEJTPPDGXPVLF-QJPTWQEYSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001422660344 907970678 /nfs/dbraw/zinc/97/06/78/907970678.db2.gz ODQVDEOHXXELCU-RYUDHWBXSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCCNC1=O)[NH+](C)C ZINC001422699050 907975902 /nfs/dbraw/zinc/97/59/02/907975902.db2.gz UXEJTPPDGXPVLF-TUAOUCFPSA-N 2 0 284.404 -0.301 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001422703095 907980594 /nfs/dbraw/zinc/98/05/94/907980594.db2.gz HSVAUMKSURCIRX-QWRGUYRKSA-N 2 0 272.393 -0.443 20 0 CBADRP CC[C@@H]([NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001422733827 907989045 /nfs/dbraw/zinc/98/90/45/907989045.db2.gz LPZJAOAVPRFBLE-WDEREUQCSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001502586775 921371172 /nfs/dbraw/zinc/37/11/72/921371172.db2.gz UBIVIRIAISWWHN-CQSZACIVSA-N 2 0 287.404 -0.736 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC001422841850 908025357 /nfs/dbraw/zinc/02/53/57/908025357.db2.gz NEPOFFRVRIIUSH-ZDEQEGDKSA-N 2 0 294.399 -0.893 20 0 CBADRP CCNC(=O)CN(C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001422866563 908038135 /nfs/dbraw/zinc/03/81/35/908038135.db2.gz IZFLKHUUAMUODU-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001422916399 908056476 /nfs/dbraw/zinc/05/64/76/908056476.db2.gz VXQJPXNHEBZPNC-AVGNSLFASA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]([NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1)C(N)=O ZINC001422997168 908073293 /nfs/dbraw/zinc/07/32/93/908073293.db2.gz CFCGMPQCNJHOPO-JQWIXIFHSA-N 2 0 296.415 -0.171 20 0 CBADRP CC[C@@H](C(=O)NC1(C[NH2+]CCO)CCOCC1)[NH+](C)C ZINC001502635362 921378052 /nfs/dbraw/zinc/37/80/52/921378052.db2.gz LDNAQMXEYLRVLZ-LBPRGKRZSA-N 2 0 287.404 -0.426 20 0 CBADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O ZINC001423046456 908091453 /nfs/dbraw/zinc/09/14/53/908091453.db2.gz ADWKYPHCWKPPRO-VXGBXAGGSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@H](C)C(N)=O ZINC001423171939 908125537 /nfs/dbraw/zinc/12/55/37/908125537.db2.gz VUXNLWCPBWNVQZ-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)C(N)=O ZINC001423171942 908125845 /nfs/dbraw/zinc/12/58/45/908125845.db2.gz VUXNLWCPBWNVQZ-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001423171892 908126116 /nfs/dbraw/zinc/12/61/16/908126116.db2.gz VKPBCOCDXANVJT-RYUDHWBXSA-N 2 0 294.403 -0.297 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@@H+]1CCCO ZINC001423182729 908136981 /nfs/dbraw/zinc/13/69/81/908136981.db2.gz TZFCLOCNSHBEBM-UONOGXRCSA-N 2 0 299.415 -0.472 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1cccnc1 ZINC001423195773 908148480 /nfs/dbraw/zinc/14/84/80/908148480.db2.gz YEJLBEDWEOJKQC-KBPBESRZSA-N 2 0 292.383 -0.258 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1)C(N)=O ZINC001423224676 908166169 /nfs/dbraw/zinc/16/61/69/908166169.db2.gz FPDHKNQOKHCJGD-GHMZBOCLSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001423302364 908194569 /nfs/dbraw/zinc/19/45/69/908194569.db2.gz KTNWRGCULUOIFF-CHWSQXEVSA-N 2 0 299.415 -0.426 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CCn2cncn2)CC1 ZINC001423309981 908198390 /nfs/dbraw/zinc/19/83/90/908198390.db2.gz YEKXWDGPOJABOT-UHFFFAOYSA-N 2 0 294.403 -0.143 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001423353584 908212127 /nfs/dbraw/zinc/21/21/27/908212127.db2.gz YXFOGLHPYSFYPY-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001423395559 908217457 /nfs/dbraw/zinc/21/74/57/908217457.db2.gz ZDEVTGXNRXUHRV-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001423406479 908224539 /nfs/dbraw/zinc/22/45/39/908224539.db2.gz USQKHKRVHRVWRT-NWDGAFQWSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001423451825 908241702 /nfs/dbraw/zinc/24/17/02/908241702.db2.gz MUSKXEBSGXHUNM-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001423453117 908244981 /nfs/dbraw/zinc/24/49/81/908244981.db2.gz LZYQGFQPGZJNQT-FRRDWIJNSA-N 2 0 296.415 -0.217 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001423472156 908247320 /nfs/dbraw/zinc/24/73/20/908247320.db2.gz UPZNNUIYQKPXSC-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001423530758 908269795 /nfs/dbraw/zinc/26/97/95/908269795.db2.gz HQKNDEKTHDEHPW-CHWSQXEVSA-N 2 0 299.415 -0.786 20 0 CBADRP C[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001423530771 908271333 /nfs/dbraw/zinc/27/13/33/908271333.db2.gz HQKNDEKTHDEHPW-STQMWFEESA-N 2 0 299.415 -0.786 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC001423694356 908305634 /nfs/dbraw/zinc/30/56/34/908305634.db2.gz KRDSNFQFGQAQRI-UHFFFAOYSA-N 2 0 270.377 -0.609 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001502883802 921399943 /nfs/dbraw/zinc/39/99/43/921399943.db2.gz YCHUONPUJOBSAE-UHFFFAOYSA-N 2 0 287.404 -0.736 20 0 CBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NC(=O)Cc1c[nH]cn1 ZINC001423980469 908375328 /nfs/dbraw/zinc/37/53/28/908375328.db2.gz WLRIFXQOPDFXTG-MNOVXSKESA-N 2 0 295.387 -0.087 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001502895772 921404719 /nfs/dbraw/zinc/40/47/19/921404719.db2.gz XCRGYXHIDSJHCX-UHFFFAOYSA-N 2 0 285.388 -0.982 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001424231321 908429496 /nfs/dbraw/zinc/42/94/96/908429496.db2.gz QUSCGVDIJXAUKR-NEPJUHHUSA-N 2 0 273.377 -0.864 20 0 CBADRP Cn1ncnc1C[NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001424732960 908492958 /nfs/dbraw/zinc/49/29/58/908492958.db2.gz UGSCGGSWJXVGCU-UHFFFAOYSA-N 2 0 294.403 -0.249 20 0 CBADRP COC[C@H](O)C[NH2+]CC1CC(NC(=O)Cc2c[nH]cn2)C1 ZINC001424742349 908497774 /nfs/dbraw/zinc/49/77/74/908497774.db2.gz MGOZOKKAPKSFIY-GCZXYKMCSA-N 2 0 296.371 -0.556 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001425413371 908642904 /nfs/dbraw/zinc/64/29/04/908642904.db2.gz KASFLSMSOFYGNT-XYPYZODXSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1)C(N)=O ZINC001425509206 908665330 /nfs/dbraw/zinc/66/53/30/908665330.db2.gz WYHRORCBWOTQOZ-YPMHNXCESA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H]1CCNC1=O ZINC001425573464 908677587 /nfs/dbraw/zinc/67/75/87/908677587.db2.gz HBIYWXFVCDQLTH-DGCLKSJQSA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001425629426 908683656 /nfs/dbraw/zinc/68/36/56/908683656.db2.gz VXRMXFMQIAMBPT-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)C(=O)NC ZINC001425665170 908687830 /nfs/dbraw/zinc/68/78/30/908687830.db2.gz TUNZLJHCKSHAAT-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001425940472 908783464 /nfs/dbraw/zinc/78/34/64/908783464.db2.gz AWCCHQXXWZNOKB-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001425954021 908786585 /nfs/dbraw/zinc/78/65/85/908786585.db2.gz MRVABNFMCZFNQU-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)NC)C(C)(C)C1 ZINC001425970734 908789194 /nfs/dbraw/zinc/78/91/94/908789194.db2.gz JNGMOXVXDSDYDW-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001426217590 908845763 /nfs/dbraw/zinc/84/57/63/908845763.db2.gz KWAZAOWOULHKKJ-UHFFFAOYSA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H](C)[NH2+]CC(N)=O ZINC001505683255 921468001 /nfs/dbraw/zinc/46/80/01/921468001.db2.gz YTZINRDHBYDTKL-NXEZZACHSA-N 2 0 270.377 -0.704 20 0 CBADRP CC(C)[NH+](C)CC(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001428631285 909151459 /nfs/dbraw/zinc/15/14/59/909151459.db2.gz PPGFRXMVTQUECU-STQMWFEESA-N 2 0 298.431 -0.101 20 0 CBADRP CN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001429194621 909214507 /nfs/dbraw/zinc/21/45/07/909214507.db2.gz OXAWBRLJSMCWTO-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001429483944 909248688 /nfs/dbraw/zinc/24/86/88/909248688.db2.gz XYOAVNYSCQRCHQ-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001429478972 909249962 /nfs/dbraw/zinc/24/99/62/909249962.db2.gz OPHOTMATEZTZSA-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)CC[NH+](C)C ZINC001429580632 909261123 /nfs/dbraw/zinc/26/11/23/909261123.db2.gz PQTCDOAEXIVQCL-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP C[NH+](C)CCC(=O)NC1CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001430293550 909320946 /nfs/dbraw/zinc/32/09/46/909320946.db2.gz BKJASQKBOHQLDR-UHFFFAOYSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)CCC(=O)NC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001430293568 909321922 /nfs/dbraw/zinc/32/19/22/909321922.db2.gz BSLBNHZXQNVXDA-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001430464127 909350557 /nfs/dbraw/zinc/35/05/57/909350557.db2.gz RRAAQPDEZZMAKQ-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001430774681 909388468 /nfs/dbraw/zinc/38/84/68/909388468.db2.gz DCWXBNMRFVDRNG-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(CCNC(=O)C1([NH+](C)C)CCC1)C(=O)CC[NH+](C)C ZINC001431307228 909446266 /nfs/dbraw/zinc/44/62/66/909446266.db2.gz DVXUKSFOGBXIJW-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@@H]1CCNC1=O ZINC001506065070 921532940 /nfs/dbraw/zinc/53/29/40/921532940.db2.gz IPAZYADSWGGIGG-NWDGAFQWSA-N 2 0 284.404 -0.348 20 0 CBADRP CC(=O)NCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001434283184 910077427 /nfs/dbraw/zinc/07/74/27/910077427.db2.gz UGWHBINUQBLKNN-CHWSQXEVSA-N 2 0 284.404 -0.680 20 0 CBADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC001434472719 910212313 /nfs/dbraw/zinc/21/23/13/910212313.db2.gz KGHGGQZGSCJVBY-LBPRGKRZSA-N 2 0 296.415 -0.488 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001506331902 921573356 /nfs/dbraw/zinc/57/33/56/921573356.db2.gz WIVPJUZVCUPRII-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)CCC1 ZINC001436794842 910488248 /nfs/dbraw/zinc/48/82/48/910488248.db2.gz QHWQSTXHCICEPR-LLVKDONJSA-N 2 0 282.388 -0.560 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001436825280 910492477 /nfs/dbraw/zinc/49/24/77/910492477.db2.gz HHANCZUJKPUTQZ-WCQYABFASA-N 2 0 296.415 -0.441 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001436878195 910499433 /nfs/dbraw/zinc/49/94/33/910499433.db2.gz KWMJPMSBEJZFOM-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001436897408 910506896 /nfs/dbraw/zinc/50/68/96/910506896.db2.gz IJJQKRFRKKGREJ-JOCQHMNTSA-N 2 0 299.415 -0.426 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001436920179 910510768 /nfs/dbraw/zinc/51/07/68/910510768.db2.gz IRVRWEBVDRJVGR-HAQNSBGRSA-N 2 0 294.403 -0.106 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001436975357 910520548 /nfs/dbraw/zinc/52/05/48/910520548.db2.gz KHRBBUAHPOROOO-BETUJISGSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)C(=O)N(C)C ZINC001436981633 910521804 /nfs/dbraw/zinc/52/18/04/910521804.db2.gz ZHMVXDSUQRGLBT-ZDEQEGDKSA-N 2 0 296.415 -0.348 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001437016633 910525561 /nfs/dbraw/zinc/52/55/61/910525561.db2.gz VSQGHXNIPXOMJG-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001437199546 910583017 /nfs/dbraw/zinc/58/30/17/910583017.db2.gz CSBADRDNAXBOPL-QWRGUYRKSA-N 2 0 270.377 -0.832 20 0 CBADRP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001437198381 910583814 /nfs/dbraw/zinc/58/38/14/910583814.db2.gz BNOXRYFTDUEKFX-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@@H]1CCNC1=O ZINC001437217336 910586362 /nfs/dbraw/zinc/58/63/62/910586362.db2.gz UERHQUMQASROKZ-DGCLKSJQSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@@H]1CCNC1=O ZINC001437217337 910588659 /nfs/dbraw/zinc/58/86/59/910588659.db2.gz UERHQUMQASROKZ-WCQYABFASA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCn1cncn1 ZINC001437236719 910597037 /nfs/dbraw/zinc/59/70/37/910597037.db2.gz MKXKUFSRNXSREH-STQMWFEESA-N 2 0 294.403 -0.286 20 0 CBADRP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCn1cncn1 ZINC001437236718 910598977 /nfs/dbraw/zinc/59/89/77/910598977.db2.gz MKXKUFSRNXSREH-QWHCGFSZSA-N 2 0 294.403 -0.286 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001437262565 910603976 /nfs/dbraw/zinc/60/39/76/910603976.db2.gz QMUGIKAICJANTG-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001437282192 910605789 /nfs/dbraw/zinc/60/57/89/910605789.db2.gz IITRTTFGRXHQDC-NEPJUHHUSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001437309094 910609405 /nfs/dbraw/zinc/60/94/05/910609405.db2.gz JEMWTQMDOCBEPL-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001437326146 910612874 /nfs/dbraw/zinc/61/28/74/910612874.db2.gz NEOCPTGTNFVDFS-QWHCGFSZSA-N 2 0 296.415 -0.536 20 0 CBADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001437402052 910625819 /nfs/dbraw/zinc/62/58/19/910625819.db2.gz JYTCJMBGMMVSBJ-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001437416603 910630370 /nfs/dbraw/zinc/63/03/70/910630370.db2.gz FEQKUXAPGXEXLK-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCn1cncn1 ZINC001437420779 910632136 /nfs/dbraw/zinc/63/21/36/910632136.db2.gz DXPQKMWAXOKPMK-OLZOCXBDSA-N 2 0 294.403 -0.286 20 0 CBADRP C[NH+](C)CCC(=O)NCC[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC001437515813 910673750 /nfs/dbraw/zinc/67/37/50/910673750.db2.gz MOWCZLKXKJCQQR-LBPRGKRZSA-N 2 0 294.403 -0.235 20 0 CBADRP CC[N@H+](CCNC(=O)CC[NH+](C)C)[C@@H]1CCCN(C)C1=O ZINC001437616963 910698731 /nfs/dbraw/zinc/69/87/31/910698731.db2.gz AXWIISHVTSDGQS-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001437728795 910734449 /nfs/dbraw/zinc/73/44/49/910734449.db2.gz YYCNCKDOYWNLKC-LLVKDONJSA-N 2 0 270.377 -0.748 20 0 CBADRP CCC[N@H+](CCNC(=O)CC[NH+](C)C)[C@@H]1CCNC1=O ZINC001437757630 910742761 /nfs/dbraw/zinc/74/27/61/910742761.db2.gz CCJKJXKLXJVLAF-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001437828866 910757679 /nfs/dbraw/zinc/75/76/79/910757679.db2.gz OCXITXKQPQUBTI-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001437840455 910765855 /nfs/dbraw/zinc/76/58/55/910765855.db2.gz GACQEIOCKMFCEX-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001437841987 910766548 /nfs/dbraw/zinc/76/65/48/910766548.db2.gz ICEUQSLMUPWIOO-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001437842975 910767537 /nfs/dbraw/zinc/76/75/37/910767537.db2.gz QHFCXMMIUUCJEB-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001437842737 910767752 /nfs/dbraw/zinc/76/77/52/910767752.db2.gz LGGCGLUJIZMXLH-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH+](C)CCCC(=O)NCC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001437939324 910777505 /nfs/dbraw/zinc/77/75/05/910777505.db2.gz FYWKEKVILHDDAT-GFCCVEGCSA-N 2 0 284.404 -0.358 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001437991394 910792892 /nfs/dbraw/zinc/79/28/92/910792892.db2.gz MCDSFUTYAIZWPU-OLZOCXBDSA-N 2 0 298.431 -0.018 20 0 CBADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001438245290 910856328 /nfs/dbraw/zinc/85/63/28/910856328.db2.gz UPNONHLKJIQWCA-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001438245296 910859258 /nfs/dbraw/zinc/85/92/58/910859258.db2.gz UPNONHLKJIQWCA-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cnnn1C ZINC001438368660 910886692 /nfs/dbraw/zinc/88/66/92/910886692.db2.gz JOEHBDVJNCQROS-LBPRGKRZSA-N 2 0 294.403 -0.105 20 0 CBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+][C@H]1CCNC1=O ZINC001438518750 910911746 /nfs/dbraw/zinc/91/17/46/910911746.db2.gz IENXBUGOTVRSIN-AAEUAGOBSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1cn(C)nn1 ZINC001438548192 910919389 /nfs/dbraw/zinc/91/93/89/910919389.db2.gz PVKAUWTWIVSPLK-NEPJUHHUSA-N 2 0 294.403 -0.391 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001438653412 910944569 /nfs/dbraw/zinc/94/45/69/910944569.db2.gz QQFVWZUXGNNREF-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001438965320 911020496 /nfs/dbraw/zinc/02/04/96/911020496.db2.gz PDKISOCIKZJUCS-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H]([NH2+]CCO)[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001506837750 921627850 /nfs/dbraw/zinc/62/78/50/921627850.db2.gz TUMXEHAGUZNJOK-STQMWFEESA-N 2 0 299.415 -0.332 20 0 CBADRP CC(C)[NH2+]C[C@@H](O)CNC(=O)COC1CC[NH+](C)CC1 ZINC001439031230 911063538 /nfs/dbraw/zinc/06/35/38/911063538.db2.gz HGCKFKSCLFLXIR-GFCCVEGCSA-N 2 0 287.404 -0.428 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]Cc1ccccn1 ZINC001439064200 911080651 /nfs/dbraw/zinc/08/06/51/911080651.db2.gz WFOSROCJINUPBK-AWEZNQCLSA-N 2 0 292.383 -0.256 20 0 CBADRP CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)CCC[NH+](C)C ZINC001439076537 911091056 /nfs/dbraw/zinc/09/10/56/911091056.db2.gz HWIQVFOTTBYUEP-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001439149070 911118185 /nfs/dbraw/zinc/11/81/85/911118185.db2.gz NIFVSWCEIDWEGZ-YPMHNXCESA-N 2 0 287.404 -0.570 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001439166527 911122976 /nfs/dbraw/zinc/12/29/76/911122976.db2.gz JSTCHLIFURUQDF-GFCCVEGCSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1)C(N)=O ZINC001506896950 921637044 /nfs/dbraw/zinc/63/70/44/921637044.db2.gz DZOAOAGCHOGZEC-CYDGBPFRSA-N 2 0 296.415 -0.314 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001439229154 911149358 /nfs/dbraw/zinc/14/93/58/911149358.db2.gz YTSKYEHVTCVDQS-RYUDHWBXSA-N 2 0 296.415 -0.156 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC)C1 ZINC001506903679 921637977 /nfs/dbraw/zinc/63/79/77/921637977.db2.gz QOGWQGGSLYOJMI-HAQNSBGRSA-N 2 0 284.404 -0.441 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439254387 911154499 /nfs/dbraw/zinc/15/44/99/911154499.db2.gz DBRYZVFWGRIWTN-QWRGUYRKSA-N 2 0 284.404 -0.443 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001439244897 911156369 /nfs/dbraw/zinc/15/63/69/911156369.db2.gz KTWXOKFPXANQPJ-JTQLQIEISA-N 2 0 270.377 -0.832 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)CCC[NH+](C)C ZINC001439258297 911159004 /nfs/dbraw/zinc/15/90/04/911159004.db2.gz NKEYJJSLWUJPSD-NSHDSACASA-N 2 0 282.392 -0.249 20 0 CBADRP CCn1nncc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439282843 911163672 /nfs/dbraw/zinc/16/36/72/911163672.db2.gz ODFJSHNGRCTCQI-NWDGAFQWSA-N 2 0 294.403 -0.156 20 0 CBADRP C[C@H](C[N@H+](C)CCO)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001439329075 911184044 /nfs/dbraw/zinc/18/40/44/911184044.db2.gz SIMPVOBSSRWUDR-GFCCVEGCSA-N 2 0 297.403 -0.513 20 0 CBADRP NC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001439455342 911210148 /nfs/dbraw/zinc/21/01/48/911210148.db2.gz BLKDHJIFGUXATG-OLZOCXBDSA-N 2 0 294.399 -0.702 20 0 CBADRP NC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001439455335 911213095 /nfs/dbraw/zinc/21/30/95/911213095.db2.gz BLKDHJIFGUXATG-CHWSQXEVSA-N 2 0 294.399 -0.702 20 0 CBADRP CNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001506937582 921645243 /nfs/dbraw/zinc/64/52/43/921645243.db2.gz YFQOCWDUOABXRI-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001439638640 911263855 /nfs/dbraw/zinc/26/38/55/911263855.db2.gz XVRXLHLBSHYGIJ-WDEREUQCSA-N 2 0 280.372 -0.793 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)C(N)=O ZINC001439782055 911289145 /nfs/dbraw/zinc/28/91/45/911289145.db2.gz GBRMOMHPMZVILQ-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001439905713 911314782 /nfs/dbraw/zinc/31/47/82/911314782.db2.gz CCEMRAWWJSTITB-AWEZNQCLSA-N 2 0 284.404 -0.360 20 0 CBADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001507003332 921653068 /nfs/dbraw/zinc/65/30/68/921653068.db2.gz UBFAQYIKDFIONV-RYUDHWBXSA-N 2 0 282.388 -0.608 20 0 CBADRP CC(C)(C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1)[NH+]1CCCC1 ZINC001440006138 911342347 /nfs/dbraw/zinc/34/23/47/911342347.db2.gz VFHBNQDQRVBXDY-HNNXBMFYSA-N 2 0 299.415 -0.594 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCCF)C2)C1 ZINC001440023569 911352140 /nfs/dbraw/zinc/35/21/40/911352140.db2.gz NEPXNHAYNAXMCZ-JSGCOSHPSA-N 2 0 287.379 -0.149 20 0 CBADRP C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001440210375 911406296 /nfs/dbraw/zinc/40/62/96/911406296.db2.gz QRMWJERFFIHQGK-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001440301335 911424643 /nfs/dbraw/zinc/42/46/43/911424643.db2.gz BYAZBOGGUZKORA-UTUOFQBUSA-N 2 0 284.404 -0.443 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001440301330 911425252 /nfs/dbraw/zinc/42/52/52/911425252.db2.gz BYAZBOGGUZKORA-SDDRHHMPSA-N 2 0 284.404 -0.443 20 0 CBADRP C[NH+]1CCC(OCC(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)CC1 ZINC001440312926 911429433 /nfs/dbraw/zinc/42/94/33/911429433.db2.gz ZGPIUNCMOVOMEY-BETUJISGSA-N 2 0 299.415 -0.426 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001440343449 911432346 /nfs/dbraw/zinc/43/23/46/911432346.db2.gz FSPGJZVRCKEKLZ-UHFFFAOYSA-N 2 0 270.377 -0.558 20 0 CBADRP C[NH+](C)CCC(=O)N1CCO[C@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC001440372507 911440062 /nfs/dbraw/zinc/44/00/62/911440062.db2.gz HLFZVFRZFIIACS-UONOGXRCSA-N 2 0 299.415 -0.208 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001440414101 911444568 /nfs/dbraw/zinc/44/45/68/911444568.db2.gz VESPEQVLSJCHAL-XQQFMLRXSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](O)C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001440578980 911473506 /nfs/dbraw/zinc/47/35/06/911473506.db2.gz XOMOCODSBFVSGR-STQMWFEESA-N 2 0 299.415 -0.426 20 0 CBADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]CC(N)=O)CC1)[NH+](C)C ZINC001440604426 911479531 /nfs/dbraw/zinc/47/95/31/911479531.db2.gz JKDMDYWQHHRBHU-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001440685397 911489094 /nfs/dbraw/zinc/48/90/94/911489094.db2.gz YZIASZPOCTUTTO-CYBMUJFWSA-N 2 0 268.405 -0.356 20 0 CBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001440842508 911528115 /nfs/dbraw/zinc/52/81/15/911528115.db2.gz SAYIHMPXWVMGQT-GHMZBOCLSA-N 2 0 272.393 -0.491 20 0 CBADRP C[C@@H]([NH2+]CC(=O)N(C)C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001440842512 911529787 /nfs/dbraw/zinc/52/97/87/911529787.db2.gz SAYIHMPXWVMGQT-MNOVXSKESA-N 2 0 272.393 -0.491 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@H]1CCN(C)C1=O ZINC001441003891 911581866 /nfs/dbraw/zinc/58/18/66/911581866.db2.gz SMZZXTDSIXUFJL-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001441274910 911639049 /nfs/dbraw/zinc/63/90/49/911639049.db2.gz CRNPTRFLVRIAPQ-FVCCEPFGSA-N 2 0 294.399 -0.879 20 0 CBADRP CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001441353619 911654198 /nfs/dbraw/zinc/65/41/98/911654198.db2.gz WCXYZCJORXMZSQ-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001441422316 911665487 /nfs/dbraw/zinc/66/54/87/911665487.db2.gz ROCXHYIRQRFUJP-XYPYZODXSA-N 2 0 270.377 -0.689 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001441435424 911670819 /nfs/dbraw/zinc/67/08/19/911670819.db2.gz GWHMUWYFLILHIH-DDHJBXDOSA-N 2 0 282.388 -0.691 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001441544193 911697498 /nfs/dbraw/zinc/69/74/98/911697498.db2.gz GXPQIXSDACGUAT-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCNC1=O ZINC001441661086 911731103 /nfs/dbraw/zinc/73/11/03/911731103.db2.gz SNJHLEQXQBXXEK-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001507161550 921690967 /nfs/dbraw/zinc/69/09/67/921690967.db2.gz LZPDXGCJJPMDQF-NEPJUHHUSA-N 2 0 286.420 -0.102 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001441771513 911796054 /nfs/dbraw/zinc/79/60/54/911796054.db2.gz WYYVUGVXCLJASJ-STQMWFEESA-N 2 0 287.404 -0.692 20 0 CBADRP CC[C@@H](C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)OC ZINC001441784436 911801350 /nfs/dbraw/zinc/80/13/50/911801350.db2.gz IZDITMZEJIGXTR-STQMWFEESA-N 2 0 299.415 -0.426 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]C/C=C/Cl)C1 ZINC001441797659 911810327 /nfs/dbraw/zinc/81/03/27/911810327.db2.gz QNFKNZWLERRRPF-OVXAFGJRSA-N 2 0 275.780 -0.243 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001441829376 911825308 /nfs/dbraw/zinc/82/53/08/911825308.db2.gz GBFGTGSUHDJRCA-MNOVXSKESA-N 2 0 270.377 -0.609 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001441834512 911832237 /nfs/dbraw/zinc/83/22/37/911832237.db2.gz IYALBBHURLGEQC-DGCLKSJQSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH+](C)CCCC(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC001441915656 911850507 /nfs/dbraw/zinc/85/05/07/911850507.db2.gz LDNBASLSAFMSAB-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001441936969 911858223 /nfs/dbraw/zinc/85/82/23/911858223.db2.gz QLNLDLHSQIYBCY-NWDGAFQWSA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001441938725 911860181 /nfs/dbraw/zinc/86/01/81/911860181.db2.gz JGTDZSDSDXUYQZ-RYUDHWBXSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001441940531 911860953 /nfs/dbraw/zinc/86/09/53/911860953.db2.gz PMXRJXGSKAOGNO-LBPRGKRZSA-N 2 0 294.399 -0.069 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@@H]1CCNC1=O ZINC001441947310 911864654 /nfs/dbraw/zinc/86/46/54/911864654.db2.gz UKUUWIPBQLCVKO-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@H]1CCNC1=O ZINC001441947316 911864742 /nfs/dbraw/zinc/86/47/42/911864742.db2.gz UKUUWIPBQLCVKO-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H]1CCN(C)C1=O ZINC001442005614 911888746 /nfs/dbraw/zinc/88/87/46/911888746.db2.gz GCPTZHXFWLGBRO-NWDGAFQWSA-N 2 0 294.399 -0.593 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001442002022 911890311 /nfs/dbraw/zinc/89/03/11/911890311.db2.gz WPHVUQIEXBWVPQ-GFCCVEGCSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCCNC1=O ZINC001442042764 911903149 /nfs/dbraw/zinc/90/31/49/911903149.db2.gz DJPJWYZRTMWTDX-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001442050288 911906527 /nfs/dbraw/zinc/90/65/27/911906527.db2.gz LVOPXFAPTPUSSW-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cnn(C)c1 ZINC001442052717 911909787 /nfs/dbraw/zinc/90/97/87/911909787.db2.gz PQEPVCNMFKQCIF-AAEUAGOBSA-N 2 0 279.388 -0.034 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cnn(C)c1 ZINC001442052753 911911117 /nfs/dbraw/zinc/91/11/17/911911117.db2.gz PQEPVCNMFKQCIF-YPMHNXCESA-N 2 0 279.388 -0.034 20 0 CBADRP CC[C@H]([NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001442135069 911938262 /nfs/dbraw/zinc/93/82/62/911938262.db2.gz CMQKHZDIJRVIPT-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001442164380 911942747 /nfs/dbraw/zinc/94/27/47/911942747.db2.gz ZNEYEKBJMBHVAV-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP COCC[N@H+](CCO)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001442187137 911945356 /nfs/dbraw/zinc/94/53/56/911945356.db2.gz OLRNHYYJHUIMEV-CHWSQXEVSA-N 2 0 287.404 -0.617 20 0 CBADRP COC[C@@H](O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001442243131 911955894 /nfs/dbraw/zinc/95/58/94/911955894.db2.gz YQGGACNNYUFQDI-CLRIEMFWSA-N 2 0 299.415 -0.333 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001442251404 911956055 /nfs/dbraw/zinc/95/60/55/911956055.db2.gz ZKJDZJCMRFQQRI-PNESKVBLSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@H]1CCN(C)C1=O ZINC001442293262 911965723 /nfs/dbraw/zinc/96/57/23/911965723.db2.gz YGXIZVXHMYAGST-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001442317570 911970231 /nfs/dbraw/zinc/97/02/31/911970231.db2.gz HDTHTJLWARXTKV-GHMZBOCLSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001442336864 911972240 /nfs/dbraw/zinc/97/22/40/911972240.db2.gz HDFPYHHVFYQYJS-MNOVXSKESA-N 2 0 295.391 -0.854 20 0 CBADRP Cn1nccc1CC[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001442507219 912031075 /nfs/dbraw/zinc/03/10/75/912031075.db2.gz YWFZXQYDZJWYSU-UHFFFAOYSA-N 2 0 281.404 -0.038 20 0 CBADRP C[C@H](C(N)=O)N(C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001442599842 912059781 /nfs/dbraw/zinc/05/97/81/912059781.db2.gz BMTXKWCSOIHRGK-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CC(=O)NCC)C1 ZINC001442898855 912123869 /nfs/dbraw/zinc/12/38/69/912123869.db2.gz BOSFKNYYEISAPP-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001442889024 912124707 /nfs/dbraw/zinc/12/47/07/912124707.db2.gz XRWVKNZKOAIXBJ-LLVKDONJSA-N 2 0 270.377 -0.878 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001443314980 912184138 /nfs/dbraw/zinc/18/41/38/912184138.db2.gz AUNFPVBRXNXVTE-CHWSQXEVSA-N 2 0 298.431 -0.018 20 0 CBADRP O=C(NC[C@@H](CO)[NH2+]CCCO)C12CCC[NH+]1CCC2 ZINC001507216746 921751126 /nfs/dbraw/zinc/75/11/26/921751126.db2.gz ZXIYLUFAHFCBLL-LBPRGKRZSA-N 2 0 285.388 -0.936 20 0 CBADRP C[NH+](C)Cc1ccc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)cn1 ZINC001466683046 915141771 /nfs/dbraw/zinc/14/17/71/915141771.db2.gz NKXRDIXIPPMRGN-OAHLLOKOSA-N 2 0 292.383 -0.060 20 0 CBADRP CCCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001507221191 921753446 /nfs/dbraw/zinc/75/34/46/921753446.db2.gz FILSMGWCNKSCOZ-NWDGAFQWSA-N 2 0 257.378 -0.053 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)CC1 ZINC001472083749 915690386 /nfs/dbraw/zinc/69/03/86/915690386.db2.gz RMLUJGFRZIJCML-SNVBAGLBSA-N 2 0 253.346 -0.330 20 0 CBADRP CC(=O)[C@](C)(O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC001473523272 915825902 /nfs/dbraw/zinc/82/59/02/915825902.db2.gz HQOKLXLIBYSMDH-OAHLLOKOSA-N 2 0 299.415 -0.284 20 0 CBADRP C[C@@H]1CN(CCO)CC[N@@H+]1CCCN1CCOCC1 ZINC001473545382 915829359 /nfs/dbraw/zinc/82/93/59/915829359.db2.gz KMPAHVGZKRIRMP-CQSZACIVSA-N 2 0 271.405 -0.293 20 0 CBADRP CN(C)C(=O)[C@H]1CC[N@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC001473547122 915829572 /nfs/dbraw/zinc/82/95/72/915829572.db2.gz WABGDRGVFBFKEF-AAEUAGOBSA-N 2 0 269.389 -0.148 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001479415408 916129870 /nfs/dbraw/zinc/12/98/70/916129870.db2.gz RHYIFEQHVDQDNH-XYPYZODXSA-N 2 0 268.361 -0.948 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C)CC(N)=O)CC[N@@H+]1C ZINC001479792735 916180132 /nfs/dbraw/zinc/18/01/32/916180132.db2.gz ZFFNKDJVDOJMKI-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]CCOCCO)C2)C1 ZINC001480120618 916292346 /nfs/dbraw/zinc/29/23/46/916292346.db2.gz OSJRWSGCVZFDRN-KGLIPLIRSA-N 2 0 299.415 -0.472 20 0 CBADRP CC[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C1)OC ZINC001480198009 916324066 /nfs/dbraw/zinc/32/40/66/916324066.db2.gz FAHRPPBWGMMLEN-CRWXNKLISA-N 2 0 299.415 -0.021 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001480210553 916328406 /nfs/dbraw/zinc/32/84/06/916328406.db2.gz IJJQKRFRKKGREJ-BETUJISGSA-N 2 0 299.415 -0.426 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001480220619 916333852 /nfs/dbraw/zinc/33/38/52/916333852.db2.gz NZSMUAZBMIPQHV-RTXFEEFZSA-N 2 0 296.415 -0.301 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001480219775 916334965 /nfs/dbraw/zinc/33/49/65/916334965.db2.gz CNXZMSZEEKFUJX-TXEJJXNPSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001480294133 916354453 /nfs/dbraw/zinc/35/44/53/916354453.db2.gz FFMJMJUFWXQDAG-GFCCVEGCSA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@H](O)C[NH2+][C@@H](C)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001480463294 916428388 /nfs/dbraw/zinc/42/83/88/916428388.db2.gz TWTOZZNQPUMYPJ-RYUDHWBXSA-N 2 0 297.403 -0.467 20 0 CBADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@H]1CCNC1=O ZINC001480478490 916430441 /nfs/dbraw/zinc/43/04/41/916430441.db2.gz ZKGIHEAWPYXIPI-PWSUYJOCSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H](O)C[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001480475815 916430664 /nfs/dbraw/zinc/43/06/64/916430664.db2.gz UNNNMIFFZRWIGB-QWRGUYRKSA-N 2 0 257.378 -0.054 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001480530438 916461511 /nfs/dbraw/zinc/46/15/11/916461511.db2.gz GVTNOALBTJORLX-GHMZBOCLSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cnnn1C ZINC001480538379 916463737 /nfs/dbraw/zinc/46/37/37/916463737.db2.gz XRYQAYHJOCPWBI-RYUDHWBXSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]CCCO ZINC001480563948 916478139 /nfs/dbraw/zinc/47/81/39/916478139.db2.gz MZCZWDWZRNIDLJ-GFCCVEGCSA-N 2 0 287.404 -0.426 20 0 CBADRP COCC[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001480574468 916478887 /nfs/dbraw/zinc/47/88/87/916478887.db2.gz MXIYHLRTYXFRSR-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]CC(N)=O ZINC001480596188 916488762 /nfs/dbraw/zinc/48/87/62/916488762.db2.gz IRSBUOBCIPAUOT-NSHDSACASA-N 2 0 270.377 -0.558 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCCO)C1 ZINC001480638912 916507099 /nfs/dbraw/zinc/50/70/99/916507099.db2.gz XLOKUSFEHNSMCN-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001480649058 916509328 /nfs/dbraw/zinc/50/93/28/916509328.db2.gz RUDJDRGXLCUPGR-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C)c1nnnn1C ZINC001480789496 916540939 /nfs/dbraw/zinc/54/09/39/916540939.db2.gz GMGPHSAMGZMMTD-WDEREUQCSA-N 2 0 297.407 -0.293 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C)C(N)=O ZINC001480791436 916541995 /nfs/dbraw/zinc/54/19/95/916541995.db2.gz XTXWFCPBWZULCM-VHSXEESVSA-N 2 0 258.366 -0.704 20 0 CBADRP C[C@@H](O)C[N@H+](C)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001480947125 916647583 /nfs/dbraw/zinc/64/75/83/916647583.db2.gz JAOFBAABZQODDD-CHWSQXEVSA-N 2 0 287.404 -0.617 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1[C@H]1CCCNC1=O ZINC001481056543 916698362 /nfs/dbraw/zinc/69/83/62/916698362.db2.gz QYKLISBMYRJWQY-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]([C@H](C)C(=O)NC)C1 ZINC001481120427 916720802 /nfs/dbraw/zinc/72/08/02/916720802.db2.gz DFWFBPUUXOOFBD-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001481122431 916721303 /nfs/dbraw/zinc/72/13/03/916721303.db2.gz ANZISYKISOLRJC-KGLIPLIRSA-N 2 0 299.415 -0.615 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001481246685 916786948 /nfs/dbraw/zinc/78/69/48/916786948.db2.gz XLPCKPPUAHQWAD-GHMZBOCLSA-N 2 0 298.387 -0.820 20 0 CBADRP CN(CC[NH2+]CCOCCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001481247543 916787004 /nfs/dbraw/zinc/78/70/04/916787004.db2.gz SNIPQZIZMOFFBY-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481315216 916815268 /nfs/dbraw/zinc/81/52/68/916815268.db2.gz SOQBBDCGRFKSSX-CYBMUJFWSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+]CCF ZINC001481314847 916815909 /nfs/dbraw/zinc/81/59/09/916815909.db2.gz NBTOCKAIDMPMAQ-LBPRGKRZSA-N 2 0 275.368 -0.028 20 0 CBADRP CC[C@@H]([NH2+]CCN(C)C(=O)C[NH+]1CCCC1)C(N)=O ZINC001481315339 916816148 /nfs/dbraw/zinc/81/61/48/916816148.db2.gz WQJCEKOLGHHDQX-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP CC[C@H]([NH2+]CCN(C)C(=O)C[NH+]1CCCC1)C(N)=O ZINC001481315340 916816251 /nfs/dbraw/zinc/81/62/51/916816251.db2.gz WQJCEKOLGHHDQX-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP CN(C)C(=O)C[NH2+]CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001481317544 916820829 /nfs/dbraw/zinc/82/08/29/916820829.db2.gz IGMBDCQXDSSQAF-UHFFFAOYSA-N 2 0 298.431 -0.001 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH+](C)CC(N)=O)C2)C1 ZINC001481496474 916848575 /nfs/dbraw/zinc/84/85/75/916848575.db2.gz CWYTVZZTNCATJM-OLZOCXBDSA-N 2 0 296.415 -0.406 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2C[NH+](CCOCCO)C2)C1 ZINC001481655019 916930962 /nfs/dbraw/zinc/93/09/62/916930962.db2.gz OVMNBPCAADABHT-ZDUSSCGKSA-N 2 0 299.415 -0.615 20 0 CBADRP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001481798571 916989687 /nfs/dbraw/zinc/98/96/87/916989687.db2.gz OXTLKWUHKGHCLR-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)NC ZINC001481868476 917010040 /nfs/dbraw/zinc/01/00/40/917010040.db2.gz FVQWJEIKQPBFEI-NSHDSACASA-N 2 0 282.388 -0.687 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCn1cncn1 ZINC001481875686 917010957 /nfs/dbraw/zinc/01/09/57/917010957.db2.gz PBZYHYAAELGYIL-OLZOCXBDSA-N 2 0 294.403 -0.286 20 0 CBADRP C[C@H]([NH2+]C[C@](C)(NC(=O)C[NH+]1CCCC1)C1CC1)C(N)=O ZINC001481950068 917028935 /nfs/dbraw/zinc/02/89/35/917028935.db2.gz FUUSPXJOWUMTRV-NHYWBVRUSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001482062894 917037388 /nfs/dbraw/zinc/03/73/88/917037388.db2.gz HMJLNLZCIJGLEC-TUAOUCFPSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@H]1CCCN(C)C1=O ZINC001482136259 917063012 /nfs/dbraw/zinc/06/30/12/917063012.db2.gz HSODJTVTBYCWIP-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP Cc1nnc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001482168777 917069418 /nfs/dbraw/zinc/06/94/18/917069418.db2.gz QJZJTALFRCEANX-PWSUYJOCSA-N 2 0 294.403 -0.093 20 0 CBADRP Cc1nnc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001482168774 917070929 /nfs/dbraw/zinc/07/09/29/917070929.db2.gz QJZJTALFRCEANX-JQWIXIFHSA-N 2 0 294.403 -0.093 20 0 CBADRP COCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482169754 917071437 /nfs/dbraw/zinc/07/14/37/917071437.db2.gz VWOVLOFUHCPHBA-NWDGAFQWSA-N 2 0 257.378 -0.074 20 0 CBADRP CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001482355585 917135717 /nfs/dbraw/zinc/13/57/17/917135717.db2.gz ZTJWLWZPONIEME-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001482479746 917150612 /nfs/dbraw/zinc/15/06/12/917150612.db2.gz DJYAYJOINPAMSB-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC1CC1 ZINC001482758460 917255954 /nfs/dbraw/zinc/25/59/54/917255954.db2.gz CYFRRWGPTJVDFX-OLZOCXBDSA-N 2 0 269.389 -0.053 20 0 CBADRP Cc1noc(C)c1C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001482763994 917264411 /nfs/dbraw/zinc/26/44/11/917264411.db2.gz HQVQKJVKVUZXRF-GFCCVEGCSA-N 2 0 298.387 -0.190 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCCO ZINC001482800647 917291280 /nfs/dbraw/zinc/29/12/80/917291280.db2.gz XDGWXTOLPICOBQ-STQMWFEESA-N 2 0 287.404 -0.690 20 0 CBADRP C[C@@H](CC[NH2+]CCCO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482816680 917303084 /nfs/dbraw/zinc/30/30/84/917303084.db2.gz IRMORNQKXCLDFN-RYUDHWBXSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001482840657 917309391 /nfs/dbraw/zinc/30/93/91/917309391.db2.gz YFXWPOQAJOTZKW-YPMHNXCESA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](CC[NH2+][C@H]1CCCNC1=O)NC(=O)CC[NH+](C)C ZINC001482866657 917319246 /nfs/dbraw/zinc/31/92/46/917319246.db2.gz BRNIJZSGCMKIHZ-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCCO ZINC001482990704 917359032 /nfs/dbraw/zinc/35/90/32/917359032.db2.gz GQYWSHZKWKTVDK-JDGPPOGSSA-N 2 0 255.362 -0.275 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+][C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001483008201 917373427 /nfs/dbraw/zinc/37/34/27/917373427.db2.gz HUEHQWBGDZRGNW-DXELUQJMSA-N 2 0 294.399 -0.523 20 0 CBADRP C[C@@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001483009128 917373608 /nfs/dbraw/zinc/37/36/08/917373608.db2.gz RGUSMPYCAPEIMX-QKPYMPQASA-N 2 0 282.388 -0.538 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001483009896 917375665 /nfs/dbraw/zinc/37/56/65/917375665.db2.gz IHCITGPGLFJDLJ-PCAWENJQSA-N 2 0 282.388 -0.394 20 0 CBADRP COC[C@H](O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483048584 917386981 /nfs/dbraw/zinc/38/69/81/917386981.db2.gz VCVCZTRGPGDRPB-WEHDMVHDSA-N 2 0 299.415 -0.260 20 0 CBADRP C[C@H]([NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001483054204 917390343 /nfs/dbraw/zinc/39/03/43/917390343.db2.gz KUNURCVCQVWHAL-UFFNRZRYSA-N 2 0 282.388 -0.536 20 0 CBADRP C[NH+]1CCC(C(=O)NC/C=C\C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001483053818 917391445 /nfs/dbraw/zinc/39/14/45/917391445.db2.gz HSBACCQSSBLBKW-XQJDBVBESA-N 2 0 294.399 -0.521 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001483093935 917403290 /nfs/dbraw/zinc/40/32/90/917403290.db2.gz WDESBTFGDHUMJK-AAOUONPWSA-N 2 0 282.388 -0.521 20 0 CBADRP O=C(NC/C=C\C[NH2+]CCO)C12CC[NH+](CC1)C2 ZINC001483084464 917403824 /nfs/dbraw/zinc/40/38/24/917403824.db2.gz ZDOXVZGJVFWRTP-UPHRSURJSA-N 2 0 253.346 -0.664 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001483162614 917443774 /nfs/dbraw/zinc/44/37/74/917443774.db2.gz JPEIBARMHMZXLZ-LLVKDONJSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483228361 917483575 /nfs/dbraw/zinc/48/35/75/917483575.db2.gz ODPRBTXDAWMHMK-YNEHKIRRSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001483261694 917499496 /nfs/dbraw/zinc/49/94/96/917499496.db2.gz JPEIBARMHMZXLZ-NSHDSACASA-N 2 0 284.404 -0.489 20 0 CBADRP CC[C@H]([NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001483262315 917499734 /nfs/dbraw/zinc/49/97/34/917499734.db2.gz WXNHAOUWLLFTTO-JQWIXIFHSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001483442828 917562517 /nfs/dbraw/zinc/56/25/17/917562517.db2.gz PQRIZLKLANGOPP-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001483442825 917563109 /nfs/dbraw/zinc/56/31/09/917563109.db2.gz PQRIZLKLANGOPP-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)CC1 ZINC001483582812 917599892 /nfs/dbraw/zinc/59/98/92/917599892.db2.gz DXXPKHPHVAVRSJ-LLVKDONJSA-N 2 0 282.388 -0.702 20 0 CBADRP CC[C@H]([NH2+]C1(CNC(=O)CC[NH+](C)C)CC1)C(N)=O ZINC001483764630 917673727 /nfs/dbraw/zinc/67/37/27/917673727.db2.gz MWEISLDCSVIJNB-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001483790372 917680219 /nfs/dbraw/zinc/68/02/19/917680219.db2.gz GQKICHRFGAWVJF-WDEREUQCSA-N 2 0 255.362 -0.443 20 0 CBADRP CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001483791112 917680635 /nfs/dbraw/zinc/68/06/35/917680635.db2.gz QONNYWJNQQLMGN-NSHDSACASA-N 2 0 282.388 -0.687 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001483943678 917713206 /nfs/dbraw/zinc/71/32/06/917713206.db2.gz WHHWDOSGWKKRSW-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001484346076 917831335 /nfs/dbraw/zinc/83/13/35/917831335.db2.gz HWQVGLLHEWSZQM-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001484411697 917838264 /nfs/dbraw/zinc/83/82/64/917838264.db2.gz CYDMEVPXMRLAGR-UPJWGTAASA-N 2 0 296.415 -0.537 20 0 CBADRP O=C(N[C@]1(CO)CCC[N@@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC001484446647 917855090 /nfs/dbraw/zinc/85/50/90/917855090.db2.gz CTRLCQGBKZVWLJ-OAHLLOKOSA-N 2 0 297.399 -0.982 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484535607 917882817 /nfs/dbraw/zinc/88/28/17/917882817.db2.gz IOGITCKQTWYCPP-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CCO[C@H](C[NH2+]CCO)C2)C1 ZINC001484693535 917927093 /nfs/dbraw/zinc/92/70/93/917927093.db2.gz VKKIGGRLAMGWHU-QWHCGFSZSA-N 2 0 285.388 -0.863 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(N)=O ZINC001485229846 918031509 /nfs/dbraw/zinc/03/15/09/918031509.db2.gz MWKGJBRIZZLVLC-NXEZZACHSA-N 2 0 258.366 -0.705 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CCO)C1 ZINC001485096037 917994540 /nfs/dbraw/zinc/99/45/40/917994540.db2.gz NBRJWPXWYNSUIL-BPCQOVAHSA-N 2 0 269.389 -0.053 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CCO)C1 ZINC001485096038 917994768 /nfs/dbraw/zinc/99/47/68/917994768.db2.gz NBRJWPXWYNSUIL-WXRRBKDZSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001485189666 918024916 /nfs/dbraw/zinc/02/49/16/918024916.db2.gz YEGAZISCWBQOIS-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CCCO)C1 ZINC001485537716 918139475 /nfs/dbraw/zinc/13/94/75/918139475.db2.gz SADHNQNPCPYBTL-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H]([NH2+]CCO)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001485648116 918165261 /nfs/dbraw/zinc/16/52/61/918165261.db2.gz XICNGGPQJUJZOA-OLZOCXBDSA-N 2 0 297.399 -0.720 20 0 CBADRP C[C@H]([NH2+]CCO)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001485648123 918165676 /nfs/dbraw/zinc/16/56/76/918165676.db2.gz XICNGGPQJUJZOA-STQMWFEESA-N 2 0 297.399 -0.720 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001485912976 918227248 /nfs/dbraw/zinc/22/72/48/918227248.db2.gz ADYHCJMSVFCHQX-AVGNSLFASA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001485916735 918230102 /nfs/dbraw/zinc/23/01/02/918230102.db2.gz WXZWGNWGIGUQPU-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCN1CCNC1=O ZINC001485919802 918230542 /nfs/dbraw/zinc/23/05/42/918230542.db2.gz PECGPYRFLDRXFB-LBPRGKRZSA-N 2 0 299.419 -0.600 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001485947073 918239707 /nfs/dbraw/zinc/23/97/07/918239707.db2.gz LRTZCDMBLQQEKR-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC1CC1 ZINC001486024668 918317798 /nfs/dbraw/zinc/31/77/98/918317798.db2.gz SOOHPUPTRMYPAG-VXGBXAGGSA-N 2 0 255.362 -0.443 20 0 CBADRP COC[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001486031580 918322650 /nfs/dbraw/zinc/32/26/50/918322650.db2.gz UBJTXZPWLFXFMD-DGCLKSJQSA-N 2 0 287.404 -0.570 20 0 CBADRP CC[NH2+][C@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001486041592 918338691 /nfs/dbraw/zinc/33/86/91/918338691.db2.gz UWQXDYVLYUAOGB-LBPRGKRZSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@H]1C ZINC001486092771 918363561 /nfs/dbraw/zinc/36/35/61/918363561.db2.gz HHWGKLDHFHDIJR-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001486086742 918364778 /nfs/dbraw/zinc/36/47/78/918364778.db2.gz ZHVJUUSWAIFBKY-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)CN1C(=O)CC[NH+](C)C ZINC001486120637 918372433 /nfs/dbraw/zinc/37/24/33/918372433.db2.gz DHUYZDYHLQZLSN-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001486316372 918422360 /nfs/dbraw/zinc/42/23/60/918422360.db2.gz AFDXZRKWQWEXJS-CHWSQXEVSA-N 2 0 287.404 -0.617 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001486329221 918439202 /nfs/dbraw/zinc/43/92/02/918439202.db2.gz VRHAYHGZRYGPRV-STQMWFEESA-N 2 0 287.404 -0.522 20 0 CBADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]CCOCCO)C1 ZINC001486457730 918468952 /nfs/dbraw/zinc/46/89/52/918468952.db2.gz JKFYZIXHJDZDKF-JXQTWKCFSA-N 2 0 299.415 -0.332 20 0 CBADRP COC[C@H](O)C[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001486514945 918480570 /nfs/dbraw/zinc/48/05/70/918480570.db2.gz NMNYJCGXNSMMEU-CQSZACIVSA-N 2 0 299.415 -0.306 20 0 CBADRP CN(C[C@@H]1CC[N@@H+]1CCCO)C(=O)CC[NH+](C)C ZINC001488654515 918751850 /nfs/dbraw/zinc/75/18/50/918751850.db2.gz NYIZWVAWFKDDEY-LBPRGKRZSA-N 2 0 257.378 -0.147 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1)C(N)=O ZINC001488857948 918774687 /nfs/dbraw/zinc/77/46/87/918774687.db2.gz GKVNFDSWIVJUQP-YVECIDJPSA-N 2 0 296.415 -0.314 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001488871755 918776784 /nfs/dbraw/zinc/77/67/84/918776784.db2.gz FDIIRQDUWSZPSR-JHJVBQTASA-N 2 0 298.431 -0.053 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCO ZINC001489014830 918784811 /nfs/dbraw/zinc/78/48/11/918784811.db2.gz PDBJXGZTTITVJH-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP CCNC(=O)C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001490164355 918853532 /nfs/dbraw/zinc/85/35/32/918853532.db2.gz JPCGLPJODVTQKM-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC001490164791 918854531 /nfs/dbraw/zinc/85/45/31/918854531.db2.gz NSNGCHDKYFWELX-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CCNC(=O)C[N@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001490270390 918882520 /nfs/dbraw/zinc/88/25/20/918882520.db2.gz MYQXFWXMZCCMAX-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CC1CC[NH+](CC(=O)NCCC[N@H+](C)CC(N)=O)CC1 ZINC001490260981 918883082 /nfs/dbraw/zinc/88/30/82/918883082.db2.gz DEABOFFUNCNTBI-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP C[C@H](O)C[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001490513973 918927200 /nfs/dbraw/zinc/92/72/00/918927200.db2.gz AWQFYKGPSLZUSA-UONOGXRCSA-N 2 0 298.431 -0.947 20 0 CBADRP C[C@@H](O)C[NH+]1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001490513972 918927505 /nfs/dbraw/zinc/92/75/05/918927505.db2.gz AWQFYKGPSLZUSA-KGLIPLIRSA-N 2 0 298.431 -0.947 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H]([NH2+]CCO)C1CC1 ZINC001490741483 918969106 /nfs/dbraw/zinc/96/91/06/918969106.db2.gz VMRJEGNYTNEPCP-GFCCVEGCSA-N 2 0 255.362 -0.441 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001490922114 918989717 /nfs/dbraw/zinc/98/97/17/918989717.db2.gz MEHZRVKRTMOWFC-AVGNSLFASA-N 2 0 296.415 -0.156 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001490949060 918993162 /nfs/dbraw/zinc/99/31/62/918993162.db2.gz CAFCMGURWIPHMW-HAQNSBGRSA-N 2 0 257.378 -0.053 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](C)O)C1)[NH+](C)C ZINC001491029573 919012059 /nfs/dbraw/zinc/01/20/59/919012059.db2.gz DYVYKCBBMHGOIK-WISYIIOYSA-N 2 0 257.378 -0.056 20 0 CBADRP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)CC1 ZINC001491066963 919022170 /nfs/dbraw/zinc/02/21/70/919022170.db2.gz HNPYTPXBPVHNEI-TXEJJXNPSA-N 2 0 285.388 -0.674 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1)C(=O)N(C)C ZINC001491079697 919025555 /nfs/dbraw/zinc/02/55/55/919025555.db2.gz NKGGZSAWPCGQGL-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nncn2C)C1 ZINC001491080084 919026329 /nfs/dbraw/zinc/02/63/29/919026329.db2.gz KIQQZQUYTFOYCI-TXEJJXNPSA-N 2 0 294.403 -0.108 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001491079757 919026904 /nfs/dbraw/zinc/02/69/04/919026904.db2.gz GANUUIKJTSZJKQ-SDDRHHMPSA-N 2 0 284.404 -0.302 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001491318714 919115159 /nfs/dbraw/zinc/11/51/59/919115159.db2.gz WVUNKYCBNSQWPR-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1cnnn1C ZINC001491568243 919208578 /nfs/dbraw/zinc/20/85/78/919208578.db2.gz WMCULDLLOXHRBM-LLVKDONJSA-N 2 0 282.392 -0.249 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N1CCCC1 ZINC001491569416 919212351 /nfs/dbraw/zinc/21/23/51/919212351.db2.gz QLAOMBBWKIHHTC-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001491671650 919249131 /nfs/dbraw/zinc/24/91/31/919249131.db2.gz BMZHEBQQDDTNPF-GHMZBOCLSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cncn1C ZINC001491674241 919250468 /nfs/dbraw/zinc/25/04/68/919250468.db2.gz SXJCKFGGEMWUNS-RYUDHWBXSA-N 2 0 279.388 -0.034 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccn(C)n1 ZINC001491674796 919251735 /nfs/dbraw/zinc/25/17/35/919251735.db2.gz WJEPSCDRSRMDJP-RYUDHWBXSA-N 2 0 279.388 -0.034 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001491672255 919252611 /nfs/dbraw/zinc/25/26/11/919252611.db2.gz GBMWBZPRAPKVQT-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP CCN1CC[C@@H]([NH2+][C@H](C)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001491674315 919253890 /nfs/dbraw/zinc/25/38/90/919253890.db2.gz NETZDMFGQLYODN-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CCCO)C2)C1 ZINC001491752161 919269901 /nfs/dbraw/zinc/26/99/01/919269901.db2.gz QZJIIGRAVXAQQN-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001491834629 919288325 /nfs/dbraw/zinc/28/83/25/919288325.db2.gz KLFJMRVVUIIWRJ-STQMWFEESA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(N)=O ZINC001492083979 919322341 /nfs/dbraw/zinc/32/23/41/919322341.db2.gz PQSHEYBIHCZOQR-GHMZBOCLSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001492128459 919327990 /nfs/dbraw/zinc/32/79/90/919327990.db2.gz UNAIBTULTCKZKB-NWDGAFQWSA-N 2 0 294.403 -0.249 20 0 CBADRP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CCN1CCCC1=O ZINC001492214683 919357293 /nfs/dbraw/zinc/35/72/93/919357293.db2.gz ASBJBIJNQAOWJB-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@@H](O)C[N@H+](C)CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001492450473 919422050 /nfs/dbraw/zinc/42/20/50/919422050.db2.gz SBAXJUWEEKWJPY-GFCCVEGCSA-N 2 0 297.403 -0.513 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CCC[N@@H+]1CCO ZINC001493159597 919488123 /nfs/dbraw/zinc/48/81/23/919488123.db2.gz CMNLQXVACKZUMY-ZIAGYGMSSA-N 2 0 299.415 -0.472 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CCCO)C1 ZINC001493234257 919508669 /nfs/dbraw/zinc/50/86/69/919508669.db2.gz RFAITQDGVDYQST-GFCCVEGCSA-N 2 0 257.378 -0.241 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493232590 919510836 /nfs/dbraw/zinc/51/08/36/919510836.db2.gz GCISHMXTVOMGEX-QWRGUYRKSA-N 2 0 270.377 -0.750 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CCO)C1 ZINC001493256079 919512277 /nfs/dbraw/zinc/51/22/77/919512277.db2.gz FZOOMBCKTKVHBX-LBPRGKRZSA-N 2 0 257.378 -0.241 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001493500157 919561607 /nfs/dbraw/zinc/56/16/07/919561607.db2.gz MKEGVQSYRIGVPH-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP CN(CC[NH2+]CC(=O)N1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001493500485 919562472 /nfs/dbraw/zinc/56/24/72/919562472.db2.gz OMNMMQOLSKIGBD-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001493654361 919597639 /nfs/dbraw/zinc/59/76/39/919597639.db2.gz YITBMDUKWXOKNX-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(CC[NH2+]Cc1cnn(C)c1)C(=O)CC[NH+](C)C ZINC001493682654 919603187 /nfs/dbraw/zinc/60/31/87/919603187.db2.gz YDZURJQWPIJLCK-UHFFFAOYSA-N 2 0 267.377 -0.080 20 0 CBADRP CN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001493761427 919617677 /nfs/dbraw/zinc/61/76/77/919617677.db2.gz KCEAJLFGIJGTFL-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)C[NH+]1CCCC1 ZINC001493793896 919621297 /nfs/dbraw/zinc/62/12/97/919621297.db2.gz OLGXPSDSKIMZNF-LBPRGKRZSA-N 2 0 282.388 -0.639 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@@H](C)C(N)=O)C1 ZINC001494170576 919666675 /nfs/dbraw/zinc/66/66/75/919666675.db2.gz DHELAZUIGQZYGK-STQMWFEESA-N 2 0 298.431 -0.018 20 0 CBADRP C[N@H+](CCO)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001494181997 919667054 /nfs/dbraw/zinc/66/70/54/919667054.db2.gz VMHRJFZUYWCSKH-CHWSQXEVSA-N 2 0 269.389 -0.289 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001494848945 919801082 /nfs/dbraw/zinc/80/10/82/919801082.db2.gz UIUBSAXPZDOCAC-NEPJUHHUSA-N 2 0 284.404 -0.265 20 0 CBADRP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CCCO)C1 ZINC001494848330 919804048 /nfs/dbraw/zinc/80/40/48/919804048.db2.gz QLWLGOUEIODAJH-GFCCVEGCSA-N 2 0 257.378 -0.147 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CCO)C1 ZINC001494856189 919805340 /nfs/dbraw/zinc/80/53/40/919805340.db2.gz LVAIITHFDLCWAR-GFCCVEGCSA-N 2 0 257.378 -0.147 20 0 CBADRP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CCO)C1 ZINC001494924535 919815383 /nfs/dbraw/zinc/81/53/83/919815383.db2.gz LZWUWYZPLVKSPD-ZDUSSCGKSA-N 2 0 269.389 -0.003 20 0 CBADRP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(N)=O ZINC001495049740 919851620 /nfs/dbraw/zinc/85/16/20/919851620.db2.gz LOVBGUVZVVUBDW-NSHDSACASA-N 2 0 270.377 -0.702 20 0 CBADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)C(=O)NC ZINC001495107613 919866121 /nfs/dbraw/zinc/86/61/21/919866121.db2.gz IXOUVBDCNMFLFQ-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCCNC1=O ZINC001495110798 919866289 /nfs/dbraw/zinc/86/62/89/919866289.db2.gz YPLYLTDNYUBUGQ-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H](C)C(=O)NC ZINC001495107612 919866994 /nfs/dbraw/zinc/86/69/94/919866994.db2.gz IXOUVBDCNMFLFQ-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCO ZINC001495548974 919903092 /nfs/dbraw/zinc/90/30/92/919903092.db2.gz PGAMQTMTWATZIB-NEPJUHHUSA-N 2 0 255.362 -0.347 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CCn1cncn1 ZINC001495576258 919904532 /nfs/dbraw/zinc/90/45/32/919904532.db2.gz PRQIAKFFLMWTAL-CYBMUJFWSA-N 2 0 294.403 -0.190 20 0 CBADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)C[NH2+][C@@H]1CCNC1=O ZINC001495682555 919927955 /nfs/dbraw/zinc/92/79/55/919927955.db2.gz FKEFLWBPMMYACQ-WCQYABFASA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)N1CCC1 ZINC001495809737 919950432 /nfs/dbraw/zinc/95/04/32/919950432.db2.gz TVJMWNLOKWQROC-OLZOCXBDSA-N 2 0 296.415 -0.488 20 0 CBADRP C[NH+](C)CCC(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001495939662 919991547 /nfs/dbraw/zinc/99/15/47/919991547.db2.gz NCZYKFGMEUONBR-UHFFFAOYSA-N 2 0 270.377 -0.558 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CC(N)=O)CCCC2)C1 ZINC001495953434 919991787 /nfs/dbraw/zinc/99/17/87/919991787.db2.gz AYZNACRAGNOYHD-LBPRGKRZSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)CCc1c[nH]cn1 ZINC001496077425 920021792 /nfs/dbraw/zinc/02/17/92/920021792.db2.gz DOQNRORRSAUJAV-VIFPVBQESA-N 2 0 267.333 -0.736 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)N(C)C(=O)CCC[NH+](C)C ZINC001496144891 920028825 /nfs/dbraw/zinc/02/88/25/920028825.db2.gz NJZRQFSAAZOLGG-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](C[NH2+]CCO)N(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001496185588 920039394 /nfs/dbraw/zinc/03/93/94/920039394.db2.gz VWFMLAOPCBSWOW-LBPRGKRZSA-N 2 0 297.403 -0.513 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496230431 920045827 /nfs/dbraw/zinc/04/58/27/920045827.db2.gz WLJQZFHJRKZSSH-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP CCOCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496979271 920189343 /nfs/dbraw/zinc/18/93/43/920189343.db2.gz PPPBKQBMDDECRZ-FRRDWIJNSA-N 2 0 287.404 -0.570 20 0 CBADRP CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001496987099 920195126 /nfs/dbraw/zinc/19/51/26/920195126.db2.gz WQYMTHDGPZPDAK-NEPJUHHUSA-N 2 0 255.362 -0.585 20 0 CBADRP CO[C@H](C)C[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001497007851 920205120 /nfs/dbraw/zinc/20/51/20/920205120.db2.gz BCFNPXBCKGLSSY-OLZOCXBDSA-N 2 0 299.415 -0.284 20 0 CBADRP CCOCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497033657 920220265 /nfs/dbraw/zinc/22/02/65/920220265.db2.gz SIBYWSILPJGFRM-OLZOCXBDSA-N 2 0 287.404 -0.426 20 0 CBADRP CC(C)OCC[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001497092315 920246635 /nfs/dbraw/zinc/24/66/35/920246635.db2.gz QJRCADFUCSICKV-ZDUSSCGKSA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001497154523 920264116 /nfs/dbraw/zinc/26/41/16/920264116.db2.gz LDURYXBJWACMJZ-UWVGGRQHSA-N 2 0 256.350 -0.950 20 0 CBADRP C[C@H](CC[NH2+][C@H](C)C(N)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001497207541 920269795 /nfs/dbraw/zinc/26/97/95/920269795.db2.gz YUTYXZZLGIEFBT-GHMZBOCLSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H](CC[NH2+]CCO)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001497324518 920284579 /nfs/dbraw/zinc/28/45/79/920284579.db2.gz VCXWRZBMPVMONX-QWHCGFSZSA-N 2 0 287.404 -0.569 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)C12CCC[NH+]1CCC2 ZINC001497416509 920308241 /nfs/dbraw/zinc/30/82/41/920308241.db2.gz XMQHRZQTSVZATG-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP CCN(CC[NH2+]C[C@@H](O)COC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001497495296 920310333 /nfs/dbraw/zinc/31/03/33/920310333.db2.gz CKQPVDHICSBTOS-QWHCGFSZSA-N 2 0 287.404 -0.617 20 0 CBADRP C[C@H](O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497587008 920347354 /nfs/dbraw/zinc/34/73/54/920347354.db2.gz ZQVWYRUBUKHWRN-RGIBJUCOSA-N 2 0 269.389 -0.031 20 0 CBADRP C[NH+](C)CCC(=O)NC/C=C\C[NH2+][C@H]1CCCNC1=O ZINC001497676470 920367568 /nfs/dbraw/zinc/36/75/68/920367568.db2.gz YZIINZJMYOOTFS-MVZIDQBPSA-N 2 0 282.388 -0.521 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001497827370 920403600 /nfs/dbraw/zinc/40/36/00/920403600.db2.gz JJKMJTJFPRGOTL-GHMZBOCLSA-N 2 0 257.378 -0.054 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001497898610 920422504 /nfs/dbraw/zinc/42/25/04/920422504.db2.gz DJAYAMWDTUVWNI-VXGBXAGGSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](C[NH2+]Cc1cncn1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497983377 920433765 /nfs/dbraw/zinc/43/37/65/920433765.db2.gz CUVQFPXRPVKSJO-NEPJUHHUSA-N 2 0 279.388 -0.034 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001498061142 920468793 /nfs/dbraw/zinc/46/87/93/920468793.db2.gz SKSVYGFALMYFNZ-HBNTYKKESA-N 2 0 298.387 -0.774 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC ZINC001498169190 920510551 /nfs/dbraw/zinc/51/05/51/920510551.db2.gz YHSLJESTCCNOCZ-WDEREUQCSA-N 2 0 272.393 -0.443 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CCN1CCNC1=O ZINC001498197133 920517196 /nfs/dbraw/zinc/51/71/96/920517196.db2.gz FOFQROKBJXXDAO-LBPRGKRZSA-N 2 0 299.419 -0.554 20 0 CBADRP CNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001498599454 920617088 /nfs/dbraw/zinc/61/70/88/920617088.db2.gz APXRSEJUJIXJJN-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP COC[C@H](O)C[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001498642365 920621776 /nfs/dbraw/zinc/62/17/76/920621776.db2.gz ZAZJSWZNYQAPJQ-CYBMUJFWSA-N 2 0 299.415 -0.472 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CCCO ZINC001499128354 920701514 /nfs/dbraw/zinc/70/15/14/920701514.db2.gz WNUOGOVITPMFJH-LBPRGKRZSA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H]2CCCNC2=O)CC1 ZINC001499183944 920715791 /nfs/dbraw/zinc/71/57/91/920715791.db2.gz NBVWLIANYBWBOX-RYUDHWBXSA-N 2 0 294.399 -0.402 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001499458551 920753571 /nfs/dbraw/zinc/75/35/71/920753571.db2.gz HPGUVLIQRDIOQT-UHFFFAOYSA-N 2 0 256.350 -0.950 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001499330313 920737045 /nfs/dbraw/zinc/73/70/45/920737045.db2.gz POYGIYSHNYYEHN-UHFFFAOYSA-N 2 0 282.388 -0.687 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001499901661 920781666 /nfs/dbraw/zinc/78/16/66/920781666.db2.gz QLRRRMHMMHMWOW-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP CN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)C1=O ZINC001500258732 920822322 /nfs/dbraw/zinc/82/23/22/920822322.db2.gz WNRDUYPKVSGEGP-WFASDCNBSA-N 2 0 296.415 -0.251 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001500401744 920831203 /nfs/dbraw/zinc/83/12/03/920831203.db2.gz JMXQYSFGKZYHRK-FZMZJTMJSA-N 2 0 282.388 -0.748 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001500401746 920831871 /nfs/dbraw/zinc/83/18/71/920831871.db2.gz JMXQYSFGKZYHRK-SMDDNHRTSA-N 2 0 282.388 -0.748 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001501088243 920947372 /nfs/dbraw/zinc/94/73/72/920947372.db2.gz YAFBSRPPGVEHRR-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001501084376 920947533 /nfs/dbraw/zinc/94/75/33/920947533.db2.gz UTIZQMUUFGZJMA-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001501135354 920952079 /nfs/dbraw/zinc/95/20/79/920952079.db2.gz FRBUMYNZKPTRFP-YPMHNXCESA-N 2 0 296.415 -0.502 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CC(N)=O ZINC001501136022 920952547 /nfs/dbraw/zinc/95/25/47/920952547.db2.gz OLPNZGJYYHWYCP-MNOVXSKESA-N 2 0 270.377 -0.893 20 0 CBADRP CC[NH2+]CCN(CCO)C(=O)C[N@H+](C)C1CCC1 ZINC001501462548 921020408 /nfs/dbraw/zinc/02/04/08/921020408.db2.gz XEEGUKQONOVNTO-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N(CCO)CC[NH2+]CCF)C1 ZINC001501492699 921030212 /nfs/dbraw/zinc/03/02/12/921030212.db2.gz JMXUNZXDYUTHRO-GFCCVEGCSA-N 2 0 275.368 -0.292 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(N)=O)[C@@H]2C1 ZINC001507359540 921811568 /nfs/dbraw/zinc/81/15/68/921811568.db2.gz DFRZCPYGOHCQLI-XQQFMLRXSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CCCO)CN1C(=O)CC[NH+](C)C ZINC001507323507 921812019 /nfs/dbraw/zinc/81/20/19/921812019.db2.gz XADGLSLRDMACSX-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001507490224 921849230 /nfs/dbraw/zinc/84/92/30/921849230.db2.gz PXNFBTWJQKDURR-STQMWFEESA-N 2 0 299.415 -0.596 20 0 CBADRP CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001507497638 921856678 /nfs/dbraw/zinc/85/66/78/921856678.db2.gz OUEJAOGOYSVTAH-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP CN(C[C@H](O)C[NH2+]Cc1nccn1C)C(=O)CC[NH+](C)C ZINC001507501605 921859859 /nfs/dbraw/zinc/85/98/59/921859859.db2.gz AUNBCMUBWWAUCW-GFCCVEGCSA-N 2 0 297.403 -0.719 20 0 CBADRP CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001507562171 921866558 /nfs/dbraw/zinc/86/65/58/921866558.db2.gz JQXDZXFBPNXSBW-RYUDHWBXSA-N 2 0 257.378 -0.243 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CC(F)F ZINC001514597598 922208908 /nfs/dbraw/zinc/20/89/08/922208908.db2.gz UCARBEUOJNUAKQ-HTQZYQBOSA-N 2 0 251.277 -0.584 20 0 CBADRP [NH3+][C@H]1C[C@@H](NC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC001515641409 922237337 /nfs/dbraw/zinc/23/73/37/922237337.db2.gz VEQLOMUJVRKJBV-DTORHVGOSA-N 2 0 264.333 -0.578 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C)[NH+](C)C ZINC001520328817 922304274 /nfs/dbraw/zinc/30/42/74/922304274.db2.gz KSPCGETVXBFBMQ-JHJVBQTASA-N 2 0 268.405 -0.169 20 0 CBADRP C[C@@H]1[C@H](NC(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)CC[N@@H+]1C ZINC001520694929 922318881 /nfs/dbraw/zinc/31/88/81/922318881.db2.gz LNVDCQCCKLVTMP-LOWDOPEQSA-N 2 0 266.389 -0.417 20 0 CBADRP C[C@@]1(C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](O)C[NH2+]1 ZINC001521424810 922352548 /nfs/dbraw/zinc/35/25/48/922352548.db2.gz KPVRLXCXXNIIBB-JSGCOSHPSA-N 2 0 267.373 -0.158 20 0 CBADRP [NH3+]CC1(C(=O)NCCC[NH+]2CCCC2)CC(O)C1 ZINC001521415645 922354222 /nfs/dbraw/zinc/35/42/22/922354222.db2.gz VWAUCXGLFIQGMO-UHFFFAOYSA-N 2 0 255.362 -0.312 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001521455730 922356019 /nfs/dbraw/zinc/35/60/19/922356019.db2.gz YWQXYKYTRJYKGK-DGCLKSJQSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001521455732 922357050 /nfs/dbraw/zinc/35/70/50/922357050.db2.gz YWQXYKYTRJYKGK-WCQYABFASA-N 2 0 257.378 -0.053 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001521476718 922358708 /nfs/dbraw/zinc/35/87/08/922358708.db2.gz NACJCRPOKYGHTQ-RVMXOQNASA-N 2 0 267.373 -0.361 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001521496248 922361623 /nfs/dbraw/zinc/36/16/23/922361623.db2.gz RPSMPHBVLPYREN-GXTWGEPZSA-N 2 0 269.389 -0.051 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@@H]2C[C@@H]2C[NH3+])CCOCC1 ZINC001521482730 922361951 /nfs/dbraw/zinc/36/19/51/922361951.db2.gz SEBWNZJVTSSNBX-GHMZBOCLSA-N 2 0 255.362 -0.192 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001521508753 922364482 /nfs/dbraw/zinc/36/44/82/922364482.db2.gz ZGKPZXRBNWSBNQ-RYUDHWBXSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@H]1[NH2+]CCN(C(=O)C[NH+]2CCC(CO)CC2)[C@H]1C ZINC001521526627 922364660 /nfs/dbraw/zinc/36/46/60/922364660.db2.gz FBFBHKVTKPWULS-NEPJUHHUSA-N 2 0 269.389 -0.101 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001521513419 922365600 /nfs/dbraw/zinc/36/56/00/922365600.db2.gz VKGMCJIJHGEPON-DGCLKSJQSA-N 2 0 252.362 -0.898 20 0 CBADRP [NH3+]CC1(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC(O)C1 ZINC001521513792 922366336 /nfs/dbraw/zinc/36/63/36/922366336.db2.gz YAZRIACZPHIGIO-ARCGFLRYSA-N 2 0 267.373 -0.328 20 0 CBADRP COCC[C@H]([NH3+])C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001521739541 922377029 /nfs/dbraw/zinc/37/70/29/922377029.db2.gz BSSVSODKEQCCJK-ZJUUUORDSA-N 2 0 261.391 -0.439 20 0 CBADRP C[C@@H]([NH3+])CONC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC001521806881 922380443 /nfs/dbraw/zinc/38/04/43/922380443.db2.gz MHTVYXFGDRITJD-MWLCHTKSSA-N 2 0 267.333 -0.184 20 0 CBADRP C[C@@H]([NH3+])CONC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC001521806880 922381307 /nfs/dbraw/zinc/38/13/07/922381307.db2.gz MHTVYXFGDRITJD-KOLCDFICSA-N 2 0 267.333 -0.184 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@](O)(C[NH+](C)C)C2)CC[N@@H+]1C ZINC001521788102 922381346 /nfs/dbraw/zinc/38/13/46/922381346.db2.gz AQBBIHSOGJJQLS-BZPMIXESSA-N 2 0 269.389 -0.148 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CCC2(C[NH2+]C2)CC1 ZINC001521900590 922386034 /nfs/dbraw/zinc/38/60/34/922386034.db2.gz QJPLDMDMAPSIMY-GFCCVEGCSA-N 2 0 267.373 -0.033 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001521929491 922391223 /nfs/dbraw/zinc/39/12/23/922391223.db2.gz CIXFALNDGPDXBL-OLZOCXBDSA-N 2 0 269.389 -0.066 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC001521975402 922394373 /nfs/dbraw/zinc/39/43/73/922394373.db2.gz SCYZQJNSRJMCJX-WDMOLILDSA-N 2 0 265.357 -0.234 20 0 CBADRP O=C(N[C@H]1COC2(C[NH2+]C2)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC001521974192 922394450 /nfs/dbraw/zinc/39/44/50/922394450.db2.gz NJURCUDKSVLKHW-MNOVXSKESA-N 2 0 265.357 -0.377 20 0 CBADRP [NH3+]C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(F)cc1 ZINC001522080925 922398016 /nfs/dbraw/zinc/39/80/16/922398016.db2.gz BXLFSMQEKJWEGQ-TUAOUCFPSA-N 2 0 267.304 -0.683 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2NC(=O)C[C@@]23CC[NH2+]C3)C1 ZINC001522310284 922407980 /nfs/dbraw/zinc/40/79/80/922407980.db2.gz AQHHYKATYKENFD-ZWNOBZJWSA-N 2 0 266.345 -0.676 20 0 CBADRP CC(C)[NH2+]CCC(=O)NCCN1CCC([NH3+])CC1 ZINC001522639732 922493274 /nfs/dbraw/zinc/49/32/74/922493274.db2.gz NDFCPJKXOBANKE-UHFFFAOYSA-N 2 0 256.394 -0.086 20 0 CBADRP C[C@]1(C(=O)NCCN2CCC([NH3+])CC2)CCC[NH2+]1 ZINC001522639175 922493778 /nfs/dbraw/zinc/49/37/78/922493778.db2.gz KAUQUTMYGCFTNN-CYBMUJFWSA-N 2 0 254.378 -0.332 20 0 CBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCN1CCC([NH3+])CC1 ZINC001522638562 922494966 /nfs/dbraw/zinc/49/49/66/922494966.db2.gz IWWSBMNAIMZUAD-PWSUYJOCSA-N 2 0 256.394 -0.101 20 0 CBADRP C[NH+](C)CC1(C(=O)NCCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001522655600 922497049 /nfs/dbraw/zinc/49/70/49/922497049.db2.gz ZGQMGXGLWJQWGW-LBPRGKRZSA-N 2 0 296.415 -0.488 20 0 CBADRP C[NH+](C)CCC(=O)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001522653640 922499250 /nfs/dbraw/zinc/49/92/50/922499250.db2.gz KOODOAJWZXVDQQ-NSHDSACASA-N 2 0 270.377 -0.878 20 0 CBADRP CC(C)C[C@H]([NH3+])CC(=O)N1CCNCC[NH2+]CC1 ZINC001522985830 922554855 /nfs/dbraw/zinc/55/48/55/922554855.db2.gz XMLXFOBLZQIPFI-LBPRGKRZSA-N 2 0 256.394 -0.229 20 0 CBADRP C[N@H+](CC(=O)N1CCNCC[NH2+]CC1)CC(C)(C)C ZINC001522984114 922555029 /nfs/dbraw/zinc/55/50/29/922555029.db2.gz PWFPRVHLGXXPTH-UHFFFAOYSA-N 2 0 270.421 -0.014 20 0 CBADRP CC(C)[C@H](C(=O)N1CCNCC[NH2+]CC1)[C@H](C)[NH3+] ZINC001522997728 922555593 /nfs/dbraw/zinc/55/55/93/922555593.db2.gz FPHFFGOOAFUNBM-RYUDHWBXSA-N 2 0 256.394 -0.373 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCNCC[NH2+]CC1)[C@@H](C)[NH3+] ZINC001522997729 922555936 /nfs/dbraw/zinc/55/59/36/922555936.db2.gz FPHFFGOOAFUNBM-VXGBXAGGSA-N 2 0 256.394 -0.373 20 0 CBADRP [NH3+][C@H]1CC[C@H](C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC001523010849 922562291 /nfs/dbraw/zinc/56/22/91/922562291.db2.gz XKXWOKUDPKPHQP-NQBHXWOUSA-N 2 0 255.362 -0.184 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])C[C@]2(C)C1 ZINC001523448553 922592769 /nfs/dbraw/zinc/59/27/69/922592769.db2.gz OCGQOTXDTDVTHX-NMKXLXIOSA-N 2 0 267.373 -0.240 20 0 CBADRP [NH3+]C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCCOC1 ZINC001523514494 922597188 /nfs/dbraw/zinc/59/71/88/922597188.db2.gz OCPFYKHSZURWIK-LSCVPOLPSA-N 2 0 253.346 -0.249 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC[N@H+](C)CC1 ZINC001523482657 922598765 /nfs/dbraw/zinc/59/87/65/922598765.db2.gz UQBWLSSMJCSIGZ-DZGCQCFKSA-N 2 0 280.416 -0.308 20 0 CBADRP O=C([C@H]1CCC[NH2+]1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001524009958 922614450 /nfs/dbraw/zinc/61/44/50/922614450.db2.gz ZCILDLHYGDOCJL-JHJVBQTASA-N 2 0 267.373 -0.204 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC001524112122 922621033 /nfs/dbraw/zinc/62/10/33/922621033.db2.gz DEAJEBMLMNHMPT-ZDUSSCGKSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@]1(C(=O)NCC[C@H]2CCC[NH2+]CC2)C[C@H](O)C[NH2+]1 ZINC001524222000 922626454 /nfs/dbraw/zinc/62/64/54/922626454.db2.gz HFDWPCWXBDRQQP-SGMGOOAPSA-N 2 0 269.389 -0.005 20 0 CBADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCN1C[C@H]2C ZINC001527708786 922765977 /nfs/dbraw/zinc/76/59/77/922765977.db2.gz ZWMGRCRULAVZLI-CHWSQXEVSA-N 2 0 268.405 -0.169 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001530448845 922939219 /nfs/dbraw/zinc/93/92/19/922939219.db2.gz OMLOQAMHKQULAL-LBPRGKRZSA-N 2 0 296.415 -0.395 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001536510985 923216150 /nfs/dbraw/zinc/21/61/50/923216150.db2.gz PARGUOLQQWPUFS-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP CCN1CC[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001543383394 923289060 /nfs/dbraw/zinc/28/90/60/923289060.db2.gz KIDQNWHOWKKPDW-RYUDHWBXSA-N 2 0 254.378 -0.557 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548535429 923369092 /nfs/dbraw/zinc/36/90/92/923369092.db2.gz LZZHUXDCRJSREF-MDZLAQPJSA-N 2 0 255.362 -0.146 20 0 CBADRP CN1CCN(c2cc[nH+]cc2NC(=O)C[C@@H](O)C[NH3+])CC1 ZINC001548554286 923375132 /nfs/dbraw/zinc/37/51/32/923375132.db2.gz FQWYXCYLYDFXPT-LLVKDONJSA-N 2 0 293.371 -0.518 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001548550442 923375509 /nfs/dbraw/zinc/37/55/09/923375509.db2.gz GODNBYHKSPIYBZ-ZIAGYGMSSA-N 2 0 280.416 -0.023 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@]23C[NH2+]C[C@H]2CCO3)C1 ZINC001548553340 923375619 /nfs/dbraw/zinc/37/56/19/923375619.db2.gz SIHFSRMLNGJFFB-BZPMIXESSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@@H](NC(=O)[C@H]1C[NH2+]CCN1C)C(C)(C)C[NH+](C)C ZINC001548553221 923376606 /nfs/dbraw/zinc/37/66/06/923376606.db2.gz QBBGUGJJOWLWSK-VXGBXAGGSA-N 2 0 270.421 -0.018 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCNC[C@H]1C(F)F ZINC001548557598 923378812 /nfs/dbraw/zinc/37/88/12/923378812.db2.gz XNHBRWAFLXZRFY-CABZTGNLSA-N 2 0 277.315 -0.444 20 0 CBADRP [NH3+]CC[C@H](NC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2)C(F)F ZINC001548557285 923378844 /nfs/dbraw/zinc/37/88/44/923378844.db2.gz VDPMBUHMINCRCW-UFBFGSQYSA-N 2 0 290.314 -0.016 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCNC[C@H]1C(F)F ZINC001548557599 923380537 /nfs/dbraw/zinc/38/05/37/923380537.db2.gz XNHBRWAFLXZRFY-JOYOIKCWSA-N 2 0 277.315 -0.444 20 0 CBADRP [NH3+][C@H]1CCC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCO3)C1 ZINC001548557334 923380960 /nfs/dbraw/zinc/38/09/60/923380960.db2.gz KQWJYNSTOFAFDI-XZUYRWCXSA-N 2 0 253.346 -0.249 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001548558800 923382580 /nfs/dbraw/zinc/38/25/80/923382580.db2.gz KHCKETFHWUEBKD-BXUZGUMPSA-N 2 0 296.371 -0.620 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001548557835 923384690 /nfs/dbraw/zinc/38/46/90/923384690.db2.gz NVGJIZGSRXJKNV-OSMZGAPFSA-N 2 0 280.372 -0.001 20 0 CBADRP C[C@H]1CC2(CN1C(=O)[C@@H]1C[NH2+]CCN1C)CC[NH2+]CC2 ZINC001548563078 923385613 /nfs/dbraw/zinc/38/56/13/923385613.db2.gz KGUQJDDOWMAGET-STQMWFEESA-N 2 0 280.416 -0.119 20 0 CBADRP COC1(C(=O)NCC[C@H]2CSCC[NH2+]2)CC[NH2+]CC1 ZINC001548563629 923386991 /nfs/dbraw/zinc/38/69/91/923386991.db2.gz SPKLUHMFZVNRFO-NSHDSACASA-N 2 0 287.429 -0.034 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)NCC[C@@H]1CSCC[NH2+]1 ZINC001548564822 923387583 /nfs/dbraw/zinc/38/75/83/923387583.db2.gz GVVJUJRZJRGWTA-DGCLKSJQSA-N 2 0 287.429 -0.298 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)CCCO1 ZINC001548562494 923388172 /nfs/dbraw/zinc/38/81/72/923388172.db2.gz QHVKPSMYDFWBJO-SMDDNHRTSA-N 2 0 296.371 -0.539 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC001548565740 923388741 /nfs/dbraw/zinc/38/87/41/923388741.db2.gz QGNYUIZZPPUHPT-AAEUAGOBSA-N 2 0 263.341 -0.219 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC001548565741 923388931 /nfs/dbraw/zinc/38/89/31/923388931.db2.gz QGNYUIZZPPUHPT-DGCLKSJQSA-N 2 0 263.341 -0.219 20 0 CBADRP CCO[C@@H]1CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC001548565297 923390993 /nfs/dbraw/zinc/39/09/93/923390993.db2.gz ILMYTBXKYPVXDK-BZPMIXESSA-N 2 0 285.388 -0.687 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)CC[C@H]1F ZINC001548572265 923392688 /nfs/dbraw/zinc/39/26/88/923392688.db2.gz OHIBZVUXTHUASA-BREBYQMCSA-N 2 0 284.335 -0.217 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)CC[C@H]1F ZINC001548572168 923394771 /nfs/dbraw/zinc/39/47/71/923394771.db2.gz MYQTYWBLEBOUBG-NXEZZACHSA-N 2 0 284.335 -0.217 20 0 CBADRP O=C(N[C@H]1COC2(C[NH2+]C2)C1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001548570205 923394915 /nfs/dbraw/zinc/39/49/15/923394915.db2.gz UNCPAQQZGKVPRI-KGLIPLIRSA-N 2 0 287.363 -0.052 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001548573554 923398013 /nfs/dbraw/zinc/39/80/13/923398013.db2.gz HOEGSKNOLDGGBR-RRFJBIMHSA-N 2 0 288.395 -0.238 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCO3)C[NH2+]1 ZINC001548575247 923398837 /nfs/dbraw/zinc/39/88/37/923398837.db2.gz YPTHVQHKEJQLQK-WGBDABJCSA-N 2 0 253.346 -0.378 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC001548575342 923399431 /nfs/dbraw/zinc/39/94/31/923399431.db2.gz CLXHTXXQIAHDJE-ZIAGYGMSSA-N 2 0 277.368 -0.260 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCO3)C[NH2+]1 ZINC001548575245 923400471 /nfs/dbraw/zinc/40/04/71/923400471.db2.gz YPTHVQHKEJQLQK-UZWSLXQKSA-N 2 0 253.346 -0.378 20 0 CBADRP CC1(C)CN(C(=O)C[C@H]2C[NH2+]CCO2)CC2(C[NH2+]C2)O1 ZINC001548575787 923400809 /nfs/dbraw/zinc/40/08/09/923400809.db2.gz KVOPWMQGSCIOQM-NSHDSACASA-N 2 0 283.372 -0.656 20 0 CBADRP [NH3+]C1(CNC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)CCOCC1 ZINC001548573853 923400945 /nfs/dbraw/zinc/40/09/45/923400945.db2.gz PCGJSAFWTPHFPP-AWEZNQCLSA-N 2 0 296.371 -0.491 20 0 CBADRP O=C(Cc1cccc2c1CC[NH2+]C2)N[C@H]1C[NH2+]C[C@H]1O ZINC001548573751 923401225 /nfs/dbraw/zinc/40/12/25/923401225.db2.gz ZGUTXFAMZYIRMO-UONOGXRCSA-N 2 0 275.352 -0.676 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC001548575340 923401464 /nfs/dbraw/zinc/40/14/64/923401464.db2.gz CLXHTXXQIAHDJE-UONOGXRCSA-N 2 0 277.368 -0.260 20 0 CBADRP O=C([C@H]1CC12CC[NH2+]CC2)N1CCC[C@H]([NH2+]CCO)C1 ZINC001548574469 923401553 /nfs/dbraw/zinc/40/15/53/923401553.db2.gz BMFRGCNOCMNTKS-QWHCGFSZSA-N 2 0 281.400 -0.051 20 0 CBADRP CC1(C)CN(C(=O)C[C@H]2COCC[NH2+]2)CC2(C[NH2+]C2)O1 ZINC001548577856 923402846 /nfs/dbraw/zinc/40/28/46/923402846.db2.gz IPUIUWLADCNJLU-NSHDSACASA-N 2 0 283.372 -0.656 20 0 CBADRP CC(C)C[C@H](C[NH3+])CC(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001548578385 923403129 /nfs/dbraw/zinc/40/31/29/923403129.db2.gz JFHWJNUUAVGFPG-FZMZJTMJSA-N 2 0 282.388 -0.007 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548577470 923404515 /nfs/dbraw/zinc/40/45/15/923404515.db2.gz GDBJRKUGLWYDAU-SNVBAGLBSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548580459 923404736 /nfs/dbraw/zinc/40/47/36/923404736.db2.gz YCVYOPSEOAOQMW-MNOVXSKESA-N 2 0 267.373 -0.036 20 0 CBADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCC(OC2C[NH2+]C2)CC1 ZINC001548589469 923407655 /nfs/dbraw/zinc/40/76/55/923407655.db2.gz DIWZYGHRGAXZMS-DZGCQCFKSA-N 2 0 279.384 -0.035 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[NH+](CC2CC2)CC1 ZINC001548628981 923415198 /nfs/dbraw/zinc/41/51/98/923415198.db2.gz YTWWCUNELNXOKP-UKRRQHHQSA-N 2 0 292.427 -0.071 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCN2C[C@@H]3C)CC1 ZINC001548643797 923425319 /nfs/dbraw/zinc/42/53/19/923425319.db2.gz VIMBKAKZMUKPLJ-UONOGXRCSA-N 2 0 280.416 -0.071 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC001548644740 923428225 /nfs/dbraw/zinc/42/82/25/923428225.db2.gz WBINMDPLKRTHTN-SNPRPXQTSA-N 2 0 292.427 -0.073 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC001548643463 923428372 /nfs/dbraw/zinc/42/83/72/923428372.db2.gz LSUUJEMEGXTQEO-MGPQQGTHSA-N 2 0 280.416 -0.167 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC1([NH+](C)C)CCC1 ZINC001548690498 923454306 /nfs/dbraw/zinc/45/43/06/923454306.db2.gz OWTPZQPASSHHRP-STQMWFEESA-N 2 0 280.416 -0.025 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC001548694724 923458204 /nfs/dbraw/zinc/45/82/04/923458204.db2.gz YZBZNQXJMHYGLS-OLZOCXBDSA-N 2 0 278.400 -0.461 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1CCn2cncc2C1 ZINC001548723974 923474718 /nfs/dbraw/zinc/47/47/18/923474718.db2.gz FLPZZPFMSOMQSJ-YRGRVCCFSA-N 2 0 289.383 -0.298 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCN(CCCF)CC1 ZINC001548723912 923476315 /nfs/dbraw/zinc/47/63/15/923476315.db2.gz BHGFTLWDDNTWQS-KBPBESRZSA-N 2 0 298.406 -0.122 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC001548728069 923481714 /nfs/dbraw/zinc/48/17/14/923481714.db2.gz RTQIAHJEVYOFLZ-XNRPHZJLSA-N 2 0 292.427 -0.025 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC12CC2 ZINC001549024218 923523214 /nfs/dbraw/zinc/52/32/14/923523214.db2.gz COHRKJNHQUFMJU-WDEREUQCSA-N 2 0 268.361 -0.502 20 0 CBADRP CCC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549034389 923526758 /nfs/dbraw/zinc/52/67/58/923526758.db2.gz JMOFTYZXJSEAHD-GRYCIOLGSA-N 2 0 265.361 -0.199 20 0 CBADRP COC1(C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)CC[NH2+]CC1 ZINC001549044554 923529247 /nfs/dbraw/zinc/52/92/47/923529247.db2.gz CPHJLPBNEBTDSX-NWDGAFQWSA-N 2 0 283.372 -0.656 20 0 CBADRP COCC1(C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)CC[NH2+]CC1 ZINC001549045175 923533153 /nfs/dbraw/zinc/53/31/53/923533153.db2.gz ZRSBBULAEWXYTC-QWHCGFSZSA-N 2 0 297.399 -0.408 20 0 CBADRP O=C([C@@H]1C[C@@H]2C[C@@H]2[NH2+]1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549044832 923533230 /nfs/dbraw/zinc/53/32/30/923533230.db2.gz KZWGDZWKZQMCGI-HTFCKZLJSA-N 2 0 251.330 -0.674 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549044726 923533587 /nfs/dbraw/zinc/53/35/87/923533587.db2.gz IZFKPBUNNXZKNB-QWHCGFSZSA-N 2 0 283.372 -0.656 20 0 CBADRP [NH3+]CCc1nc(C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)cs1 ZINC001549045150 923536161 /nfs/dbraw/zinc/53/61/61/923536161.db2.gz YSFFKVDLJPNTNR-KOLCDFICSA-N 2 0 296.396 -0.153 20 0 CBADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549044791 923536274 /nfs/dbraw/zinc/53/62/74/923536274.db2.gz GWRDOIOLZFPKAH-SFTQSGBHSA-N 2 0 265.357 -0.425 20 0 CBADRP [NH3+]CC1(C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)CCOCC1 ZINC001549045015 923537154 /nfs/dbraw/zinc/53/71/54/923537154.db2.gz PMGHAEUCSSUQSZ-NEPJUHHUSA-N 2 0 283.372 -0.669 20 0 CBADRP [NH3+]Cc1cc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)co1 ZINC001549045658 923537872 /nfs/dbraw/zinc/53/78/72/923537872.db2.gz GDEIYLYCYUKWTG-GFCCVEGCSA-N 2 0 278.356 -0.142 20 0 CBADRP [NH3+]C1CCC(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC001549046425 923538064 /nfs/dbraw/zinc/53/80/64/923538064.db2.gz WYDMZAAJTMKVDY-HTAVTVPLSA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(CC[C@H]1CC[NH2+]C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549045680 923538106 /nfs/dbraw/zinc/53/81/06/923538106.db2.gz GQBDGJPMWGKUQX-UONOGXRCSA-N 2 0 280.416 -0.118 20 0 CBADRP [NH3+]CC1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCOCC1 ZINC001549045576 923538173 /nfs/dbraw/zinc/53/81/73/923538173.db2.gz FGEYUWVZUWDNRJ-CYBMUJFWSA-N 2 0 296.415 -0.752 20 0 CBADRP [NH3+][C@@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)C1CCOCC1 ZINC001549046125 923539706 /nfs/dbraw/zinc/53/97/06/923539706.db2.gz IERRVCOQTGEXHI-NWDGAFQWSA-N 2 0 271.361 -0.765 20 0 CBADRP [NH3+][C@H](CC(F)F)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549045759 923540203 /nfs/dbraw/zinc/54/02/03/923540203.db2.gz ISQXWYLCUQVCEH-NXEZZACHSA-N 2 0 276.331 -0.525 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001549045801 923540286 /nfs/dbraw/zinc/54/02/86/923540286.db2.gz SBVLRFMBUCPAEV-MQYQWHSLSA-N 2 0 281.400 -0.053 20 0 CBADRP [NH3+]CC1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCOCC1 ZINC001549045577 923540388 /nfs/dbraw/zinc/54/03/88/923540388.db2.gz FGEYUWVZUWDNRJ-ZDUSSCGKSA-N 2 0 296.415 -0.752 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3CCC[NH2+]3)C2)nn1 ZINC001549047304 923543096 /nfs/dbraw/zinc/54/30/96/923543096.db2.gz ODOCOQWFEKSDGD-NEPJUHHUSA-N 2 0 278.360 -0.348 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001549047287 923544100 /nfs/dbraw/zinc/54/41/00/923544100.db2.gz NJZPQCIWOXJCIT-AVGNSLFASA-N 2 0 285.388 -0.295 20 0 CBADRP C[NH2+]CCC(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549049219 923545532 /nfs/dbraw/zinc/54/55/32/923545532.db2.gz DBLUBEJWICCVNC-GHMZBOCLSA-N 2 0 251.334 -0.717 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC001549047680 923546803 /nfs/dbraw/zinc/54/68/03/923546803.db2.gz WIDZCVZHNYMIKM-YPMHNXCESA-N 2 0 292.387 -0.100 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549048905 923547056 /nfs/dbraw/zinc/54/70/56/923547056.db2.gz VACRJGSWQBUPSU-VWYCJHECSA-N 2 0 251.334 -0.590 20 0 CBADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)[C@H]3C[NH2+]CCO3)CC2)C1 ZINC001549051173 923548811 /nfs/dbraw/zinc/54/88/11/923548811.db2.gz RRRPARTVUPMRMX-HZSPNIEDSA-N 2 0 297.399 -0.280 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)[C@@H]3C[NH2+]CCO3)CC2)C1 ZINC001549051175 923548835 /nfs/dbraw/zinc/54/88/35/923548835.db2.gz RRRPARTVUPMRMX-MCIONIFRSA-N 2 0 297.399 -0.280 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)CC3([NH3+])CCC3)C[C@@H]2[NH3+])cn1 ZINC001549051947 923549954 /nfs/dbraw/zinc/54/99/54/923549954.db2.gz VFWBSTQENJRQQL-NEPJUHHUSA-N 2 0 277.372 -0.055 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4C[C@@H]4[NH2+]3)C[C@H]2[NH3+])cn1 ZINC001549050818 923550343 /nfs/dbraw/zinc/55/03/43/923550343.db2.gz OOKNQKQTOIIFLS-UPXOXWNWSA-N 2 0 275.356 -0.576 20 0 CBADRP [NH3+]C1(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CCOCC1 ZINC001549050752 923550693 /nfs/dbraw/zinc/55/06/93/923550693.db2.gz QXUYUHFZZPZZOP-LBPRGKRZSA-N 2 0 253.346 -0.151 20 0 CBADRP CC(C)(C(=O)NC[C@H]1C[NH2+]CCCO1)N1CC[NH2+]CC1 ZINC001549072995 923551952 /nfs/dbraw/zinc/55/19/52/923551952.db2.gz XIZVJJMUZGMTCK-GFCCVEGCSA-N 2 0 284.404 -0.835 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)c3c[nH+]ccc3N)C[C@H]2[NH3+])cn1 ZINC001549052803 923553684 /nfs/dbraw/zinc/55/36/84/923553684.db2.gz WNYBLRMRCRQBPY-WCQYABFASA-N 2 0 286.339 -0.205 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]C2)CCCO1 ZINC001549170863 923567811 /nfs/dbraw/zinc/56/78/11/923567811.db2.gz VUFKVJFRCMBOOW-NWDGAFQWSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)C[C@@H](C)[NH+]1CCO ZINC001549211978 923569947 /nfs/dbraw/zinc/56/99/47/923569947.db2.gz OBCWDYRFTAGKJY-SIUPQYRZSA-N 2 0 296.415 -0.165 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC001549213047 923570650 /nfs/dbraw/zinc/57/06/50/923570650.db2.gz XHIOGVKQNKMOTE-PCQVFGIUSA-N 2 0 250.346 -0.258 20 0 CBADRP C[C@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC001549212001 923571633 /nfs/dbraw/zinc/57/16/33/923571633.db2.gz RSYXYIGICJEEPZ-OYNVLQORSA-N 2 0 296.415 -0.165 20 0 CBADRP O[C@@H]1C[C@@H]2CN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC[N@@H+]2C1 ZINC001549284319 923578413 /nfs/dbraw/zinc/57/84/13/923578413.db2.gz UKANGNVMQXWQQQ-UPJWGTAASA-N 2 0 267.373 -0.742 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001549292990 923580023 /nfs/dbraw/zinc/58/00/23/923580023.db2.gz GRPUOTHOKRIWJA-RYUDHWBXSA-N 2 0 280.376 -0.102 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)C3(O)C[NH2+]C3)C2)C1 ZINC001549291846 923580614 /nfs/dbraw/zinc/58/06/14/923580614.db2.gz DRXYMXAHQPLVOT-IJLUTSLNSA-N 2 0 283.372 -0.934 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])C[C@@H]2[NH3+])cn1 ZINC001549291710 923581509 /nfs/dbraw/zinc/58/15/09/923581509.db2.gz DJANHWSURPTRPC-VOAKCMCISA-N 2 0 277.372 -0.199 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nn1 ZINC001549293961 923583585 /nfs/dbraw/zinc/58/35/85/923583585.db2.gz UOOLSLBWNPTSQN-VXGBXAGGSA-N 2 0 292.387 -0.302 20 0 CBADRP CC(C)[NH2+]CC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001549293816 923583995 /nfs/dbraw/zinc/58/39/95/923583995.db2.gz SSSFPTMPJOSGMT-GFCCVEGCSA-N 2 0 280.376 -0.102 20 0 CBADRP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001549295460 923584112 /nfs/dbraw/zinc/58/41/12/923584112.db2.gz QPRIIUXCFVCZQZ-MCIONIFRSA-N 2 0 281.400 -0.053 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nn1 ZINC001549293957 923584470 /nfs/dbraw/zinc/58/44/70/923584470.db2.gz UOOLSLBWNPTSQN-NWDGAFQWSA-N 2 0 292.387 -0.302 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001549298200 923584632 /nfs/dbraw/zinc/58/46/32/923584632.db2.gz BUGFOZBTARHTJF-RUETXSTFSA-N 2 0 276.344 -0.624 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001549299960 923588491 /nfs/dbraw/zinc/58/84/91/923588491.db2.gz SKEXHNRVNCGLOF-QUNCOHTASA-N 2 0 276.344 -0.706 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NCc1cccc(N2CC[C@@H]([NH3+])C2)n1 ZINC001549724778 923629882 /nfs/dbraw/zinc/62/98/82/923629882.db2.gz FLUNITGSOQIAAR-WDEREUQCSA-N 2 0 277.372 -0.170 20 0 CBADRP C[C@H](C[NH3+])C(=O)NCc1cccc(N2CC[C@H]([NH3+])C2)n1 ZINC001549724772 923630659 /nfs/dbraw/zinc/63/06/59/923630659.db2.gz FLUNITGSOQIAAR-MNOVXSKESA-N 2 0 277.372 -0.170 20 0 CBADRP CC(C)([NH3+])C(=O)NCc1cccc(N2CC[C@@H]([NH3+])C2)n1 ZINC001549726413 923630710 /nfs/dbraw/zinc/63/07/10/923630710.db2.gz ISVBGQBYSGXDRX-SNVBAGLBSA-N 2 0 277.372 -0.028 20 0 CBADRP [NH3+]CC(=O)NCc1ccncc1O[C@H]1CC[NH2+]C1 ZINC001549729016 923632607 /nfs/dbraw/zinc/63/26/07/923632607.db2.gz MNFHLNAXMWEWBU-JTQLQIEISA-N 2 0 250.302 -0.603 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549729379 923632676 /nfs/dbraw/zinc/63/26/76/923632676.db2.gz BQUTZECWQJLPSP-OBJOEFQTSA-N 2 0 296.415 -0.253 20 0 CBADRP C[NH2+]CCC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549729209 923633219 /nfs/dbraw/zinc/63/32/19/923633219.db2.gz DIMFICCWXKDPNT-FZMZJTMJSA-N 2 0 282.388 -0.641 20 0 CBADRP CC(C)[NH2+]CC(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1 ZINC001549731907 923633601 /nfs/dbraw/zinc/63/36/01/923633601.db2.gz BGRZTRBGLMRHSG-MNOVXSKESA-N 2 0 265.361 -0.329 20 0 CBADRP C[C@H](C[NH3+])C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549732230 923633727 /nfs/dbraw/zinc/63/37/27/923633727.db2.gz QRQANMLGIKRZSX-XWIASGKRSA-N 2 0 282.388 -0.656 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@]3(C)C[NH2+]CCO3)C[C@@H]2[NH3+])c1 ZINC001549732554 923633958 /nfs/dbraw/zinc/63/39/58/923633958.db2.gz DPQLTBRZOQYOAQ-SUNKGSAMSA-N 2 0 293.371 -0.948 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4C[C@@H]4[NH2+]3)C[C@@H]2[NH3+])c1 ZINC001549734438 923635237 /nfs/dbraw/zinc/63/52/37/923635237.db2.gz CVUZYQYBBHVHBE-OSUNSFLBSA-N 2 0 275.356 -0.576 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)C3([NH3+])CCCC3)C[C@H]2[NH3+])c1 ZINC001549736784 923635540 /nfs/dbraw/zinc/63/55/40/923635540.db2.gz WPGXRTHGYYOFLG-GHMZBOCLSA-N 2 0 277.372 -0.055 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)C3([NH3+])CCCC3)C[C@@H]2[NH3+])c1 ZINC001549736786 923635591 /nfs/dbraw/zinc/63/55/91/923635591.db2.gz WPGXRTHGYYOFLG-MNOVXSKESA-N 2 0 277.372 -0.055 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C[C@H]2[NH3+])c1 ZINC001549737456 923636096 /nfs/dbraw/zinc/63/60/96/923636096.db2.gz JFUZSVPVLLLQGC-TUTUZKQUSA-N 2 0 275.356 -0.861 20 0 CBADRP Cn1cnc([C@H]2CN(C(=O)CC3([NH3+])CCC3)C[C@@H]2[NH3+])c1 ZINC001549735713 923636173 /nfs/dbraw/zinc/63/61/73/923636173.db2.gz MPCBNQGLFKIJPY-QWRGUYRKSA-N 2 0 277.372 -0.055 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549737154 923636364 /nfs/dbraw/zinc/63/63/64/923636364.db2.gz IJLMVPDRBNLBLU-DCAQKATOSA-N 2 0 265.361 -0.199 20 0 CBADRP Cn1cnc([C@H]2CN(C(=O)C[NH+](C)C)C[C@@H]2[NH3+])c1 ZINC001549735146 923636492 /nfs/dbraw/zinc/63/64/92/923636492.db2.gz FDMTYKDSHODFER-UWVGGRQHSA-N 2 0 251.334 -0.765 20 0 CBADRP Cn1cnc([C@H]2CN(C(=O)CC(C)(C)[NH3+])C[C@H]2[NH3+])c1 ZINC001549735007 923636521 /nfs/dbraw/zinc/63/65/21/923636521.db2.gz IMRWPCSMAHWABF-VHSXEESVSA-N 2 0 265.361 -0.199 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)C[C@H]3CCC[NH2+]3)C[C@@H]2[NH3+])c1 ZINC001549736923 923636636 /nfs/dbraw/zinc/63/66/36/923636636.db2.gz ZVNJVMMGJLUZMP-UTUOFQBUSA-N 2 0 277.372 -0.185 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)C[C@@H]2[NH3+])c1 ZINC001549736892 923636728 /nfs/dbraw/zinc/63/67/28/923636728.db2.gz ZIJTXOLEURGRAW-KXNHARMFSA-N 2 0 277.372 -0.199 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH3+])C1 ZINC001549743773 923638646 /nfs/dbraw/zinc/63/86/46/923638646.db2.gz UOHFPAHZZQVPDD-MVWJERBFSA-N 2 0 277.372 -0.186 20 0 CBADRP [NH3+]C1CC(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001549739289 923638725 /nfs/dbraw/zinc/63/87/25/923638725.db2.gz OWBNBWNMRUUCSX-UAKHECDHSA-N 2 0 294.399 -0.513 20 0 CBADRP Cn1cnc([C@H]2CN(C(=O)C3([NH3+])CCC3)C[C@H]2[NH3+])c1 ZINC001549745596 923639723 /nfs/dbraw/zinc/63/97/23/923639723.db2.gz ZYRSWJQBRLETSG-VHSXEESVSA-N 2 0 263.345 -0.445 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@]3(C)CCC[NH2+]3)C[C@@H]2[NH3+])c1 ZINC001549748855 923642261 /nfs/dbraw/zinc/64/22/61/923642261.db2.gz QHUVUBREQDBTBC-SUNKGSAMSA-N 2 0 277.372 -0.185 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@H]3C[NH3+])CC[C@H]21 ZINC001549883666 923644571 /nfs/dbraw/zinc/64/45/71/923644571.db2.gz VROGXJJOFUOARI-UMSGYPCISA-N 2 0 267.373 -0.097 20 0 CBADRP O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001549884955 923645117 /nfs/dbraw/zinc/64/51/17/923645117.db2.gz LHQMNPHCHKHZDG-ZVQQGMGZSA-N 2 0 279.384 -0.131 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[C@]2(C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC001549901516 923649026 /nfs/dbraw/zinc/64/90/26/923649026.db2.gz JFFPEZCEFREQKM-DCQANWLSSA-N 2 0 253.346 -0.392 20 0 CBADRP O=C(N1CC[C@@H]2OCC[NH2+][C@@H]2C1)[C@@]12CCC[C@H]1C[NH2+]C2 ZINC001549901792 923649042 /nfs/dbraw/zinc/64/90/42/923649042.db2.gz WVWPTLMAOHUXIY-SFDCQRBFSA-N 2 0 279.384 -0.035 20 0 CBADRP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001550059194 923657913 /nfs/dbraw/zinc/65/79/13/923657913.db2.gz BVOOZPHXXPIMPV-WISYIIOYSA-N 2 0 271.336 -0.477 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC[C@H](N3CC[NH+](C)CC3)C2)CC1 ZINC001549994884 923659238 /nfs/dbraw/zinc/65/92/38/923659238.db2.gz ALSDWKYDJKUCMD-ZDUSSCGKSA-N 2 0 280.416 -0.071 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC[C@@H](N3CC[NH+](C)CC3)C2)CC1 ZINC001549994881 923660541 /nfs/dbraw/zinc/66/05/41/923660541.db2.gz ALSDWKYDJKUCMD-CYBMUJFWSA-N 2 0 280.416 -0.071 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001550075525 923666079 /nfs/dbraw/zinc/66/60/79/923666079.db2.gz PEDZQDAKAXQTNQ-GJZGRUSLSA-N 2 0 288.395 -0.237 20 0 CBADRP CC(=O)N1CC[C@]([NH3+])(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC001550073315 923667456 /nfs/dbraw/zinc/66/74/56/923667456.db2.gz KBNSVSUUWPMZQJ-DGCLKSJQSA-N 2 0 280.372 -0.663 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H]2CC23CC[NH2+]CC3)C[NH2+]CCO1 ZINC001550079890 923669247 /nfs/dbraw/zinc/66/92/47/923669247.db2.gz GCUCQDGPBOVYGO-IUODEOHRSA-N 2 0 297.399 -0.503 20 0 CBADRP O=C(NC[C@@H]1CC12CC[NH2+]CC2)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001550080365 923669350 /nfs/dbraw/zinc/66/93/50/923669350.db2.gz JPVLHKWHYRHSNA-ZOWXZIJZSA-N 2 0 279.384 -0.272 20 0 CBADRP O=C(NC[C@@H]1CC12CC[NH2+]CC2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001550084418 923670583 /nfs/dbraw/zinc/67/05/83/923670583.db2.gz DCCMVQPUYQMSCI-HBNTYKKESA-N 2 0 253.346 -0.785 20 0 CBADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1C[C@@H]2C[C@@H]2[NH2+]1 ZINC001550087501 923671720 /nfs/dbraw/zinc/67/17/20/923671720.db2.gz VWRDEVYXTIEDOS-IELRGYKMSA-N 2 0 276.344 -0.821 20 0 CBADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1CCCCC[NH2+]1 ZINC001550087601 923672916 /nfs/dbraw/zinc/67/29/16/923672916.db2.gz YZSFYTVPDPXNIZ-CHWSQXEVSA-N 2 0 292.387 -0.039 20 0 CBADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1CCCC[NH2+]C1 ZINC001550088197 923673169 /nfs/dbraw/zinc/67/31/69/923673169.db2.gz OAJBKUUTFPIMRS-WCQYABFASA-N 2 0 292.387 -0.182 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087391 923673306 /nfs/dbraw/zinc/67/33/06/923673306.db2.gz RRWLPMPTEYYGFI-CYZMBNFOSA-N 2 0 292.387 -0.183 20 0 CBADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1CCC[NH2+]C1 ZINC001550088377 923674857 /nfs/dbraw/zinc/67/48/57/923674857.db2.gz OHLHDBDQIRJEFC-ZYHUDNBSSA-N 2 0 278.360 -0.572 20 0 CBADRP O=C(NCc1cccc2c1CC[NH2+]C2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001550091177 923675513 /nfs/dbraw/zinc/67/55/13/923675513.db2.gz WJLACQKIWZDNEM-JSGCOSHPSA-N 2 0 275.352 -0.329 20 0 CBADRP [NH3+]C1(CC(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)CCC1 ZINC001550088512 923676103 /nfs/dbraw/zinc/67/61/03/923676103.db2.gz QSAPZJVTTNSQKI-LLVKDONJSA-N 2 0 278.360 -0.300 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](n3cc(C[NH3+])nn3)C2)C1 ZINC001550095242 923677171 /nfs/dbraw/zinc/67/71/71/923677171.db2.gz HRRZWJNLPGJFDQ-AAEUAGOBSA-N 2 0 292.387 -0.148 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001550093147 923677261 /nfs/dbraw/zinc/67/72/61/923677261.db2.gz XPNUPIBGYDJKLV-WCQYABFASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@@H](n3cc(C[NH3+])nn3)C2)CCC[NH2+]C1 ZINC001550094646 923677386 /nfs/dbraw/zinc/67/73/86/923677386.db2.gz XQADHHABHPWCPB-TZMCWYRMSA-N 2 0 292.387 -0.100 20 0 CBADRP C[C@H](C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1)[NH+](C)C ZINC001550096223 923678223 /nfs/dbraw/zinc/67/82/23/923678223.db2.gz ZOKXYHFYIGNNIQ-MWLCHTKSSA-N 2 0 266.349 -0.540 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001550094962 923678884 /nfs/dbraw/zinc/67/88/84/923678884.db2.gz AVVDTJTZNWSVKO-UHTWSYAYSA-N 2 0 292.387 -0.102 20 0 CBADRP C[NH2+][C@@H](C)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001550093153 923679835 /nfs/dbraw/zinc/67/98/35/923679835.db2.gz YBJCBVYXLPOZAL-CMPLNLGQSA-N 2 0 282.388 -0.594 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](n3cc(C[NH3+])nn3)C2)C1 ZINC001550095248 923679978 /nfs/dbraw/zinc/67/99/78/923679978.db2.gz HRRZWJNLPGJFDQ-YPMHNXCESA-N 2 0 292.387 -0.148 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCCC[NH2+]C3)C2)nn1 ZINC001550096926 923680039 /nfs/dbraw/zinc/68/00/39/923680039.db2.gz SCRAFMQCAKFVNB-DGCLKSJQSA-N 2 0 292.387 -0.100 20 0 CBADRP C[C@H]([NH3+])CC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001550092854 923680344 /nfs/dbraw/zinc/68/03/44/923680344.db2.gz PPYJGIYBGIRZPT-CMPLNLGQSA-N 2 0 282.388 -0.465 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C2)nn1 ZINC001550096980 923681686 /nfs/dbraw/zinc/68/16/86/923681686.db2.gz VZLXXMVGSCPLEF-HKWIRBFKSA-N 2 0 276.344 -0.739 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCN(C(=O)C[C@@H]3CCC[NH2+]3)C2)nn1 ZINC001550097230 923682226 /nfs/dbraw/zinc/68/22/26/923682226.db2.gz FAOBSNYMPRVNJN-JQWIXIFHSA-N 2 0 278.360 -0.348 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@@]3(F)CC[NH2+]C3)C2)nn1 ZINC001550097468 923682385 /nfs/dbraw/zinc/68/23/85/923682385.db2.gz NAYXEKYKSVJTKX-ZYHUDNBSSA-N 2 0 282.323 -0.788 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(CCC[NH3+])nn3)CC[C@H]21 ZINC001550104431 923683521 /nfs/dbraw/zinc/68/35/21/923683521.db2.gz NISGYORBLWEFTL-DGCLKSJQSA-N 2 0 292.387 -0.207 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1 ZINC001550104756 923684592 /nfs/dbraw/zinc/68/45/92/923684592.db2.gz AIKYHKOVQKODCH-YOGCLGLASA-N 2 0 292.387 -0.113 20 0 CBADRP C[C@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH3+])C1)[NH+](C)C ZINC001550112872 923687214 /nfs/dbraw/zinc/68/72/14/923687214.db2.gz LOYPUMZVORCYKB-GMTAPVOTSA-N 2 0 265.361 -0.377 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550112522 923687342 /nfs/dbraw/zinc/68/73/42/923687342.db2.gz NAPGTDVDPJRSSO-CYBMUJFWSA-N 2 0 296.415 -0.834 20 0 CBADRP [NH3+][C@@H]1C[C@H]1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550113646 923687685 /nfs/dbraw/zinc/68/76/85/923687685.db2.gz WZHYFIAJWVSTED-HBNTYKKESA-N 2 0 253.346 -0.392 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[C@H]([NH3+])C3)C2)CC1 ZINC001550116768 923689493 /nfs/dbraw/zinc/68/94/93/923689493.db2.gz RPJWOOXYEPNBHI-MELADBBJSA-N 2 0 280.416 -0.038 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550117074 923691161 /nfs/dbraw/zinc/69/11/61/923691161.db2.gz UMEVUMYVLDSXHJ-QWHCGFSZSA-N 2 0 268.405 -0.038 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001550117407 923691513 /nfs/dbraw/zinc/69/15/13/923691513.db2.gz XZUPKIHDOQSVKN-WDMOLILDSA-N 2 0 280.372 -0.745 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550117336 923691581 /nfs/dbraw/zinc/69/15/81/923691581.db2.gz YPJOAFCOSIVMCE-OLZOCXBDSA-N 2 0 268.405 -0.167 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]([NH3+])C3CCC3)C2)CC1 ZINC001550117150 923692162 /nfs/dbraw/zinc/69/21/62/923692162.db2.gz WHBWQQFHPRKDPK-ZIAGYGMSSA-N 2 0 280.416 -0.038 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC001550183294 923704976 /nfs/dbraw/zinc/70/49/76/923704976.db2.gz MNQXECMNPWKKNL-UPJWGTAASA-N 2 0 285.388 -0.295 20 0 CBADRP COc1ccc([C@@H]2CN(C(=O)[C@H](C[NH3+])OC)C[C@@H]2[NH3+])cc1 ZINC001550189907 923705856 /nfs/dbraw/zinc/70/58/56/923705856.db2.gz XHCLEDFJXVZARM-IHRRRGAJSA-N 2 0 293.367 -0.078 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001550188410 923706613 /nfs/dbraw/zinc/70/66/13/923706613.db2.gz WQXYEANEWHEMLG-NEPJUHHUSA-N 2 0 292.387 -0.244 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC001550188051 923707176 /nfs/dbraw/zinc/70/71/76/923707176.db2.gz ZKPGZUDGOKJHOV-JHJVBQTASA-N 2 0 263.341 -0.168 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001550188411 923707604 /nfs/dbraw/zinc/70/76/04/923707604.db2.gz WQXYEANEWHEMLG-NWDGAFQWSA-N 2 0 292.387 -0.244 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@H]([NH3+])CC3CC3)C[C@@H]2[NH3+])cn1 ZINC001550188636 923707718 /nfs/dbraw/zinc/70/77/18/923707718.db2.gz ZMJVBARSWBWBKQ-XQQFMLRXSA-N 2 0 277.372 -0.199 20 0 CBADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CC[NH3+])CC1 ZINC001550200263 923709121 /nfs/dbraw/zinc/70/91/21/923709121.db2.gz UXKPMDKQSWNZMR-UHFFFAOYSA-N 2 0 282.388 -0.332 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550194979 923709767 /nfs/dbraw/zinc/70/97/67/923709767.db2.gz TXKJJKNDDSAJLU-GHMZBOCLSA-N 2 0 271.361 -0.765 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N2CC[NH2+]CCC23CCC3)nn1 ZINC001550202623 923710369 /nfs/dbraw/zinc/71/03/69/923710369.db2.gz ZQBPTXBQMSPCKS-UHFFFAOYSA-N 2 0 292.387 -0.015 20 0 CBADRP N[C@@H]1CN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C[C@H]1[NH3+] ZINC001550267341 923713193 /nfs/dbraw/zinc/71/31/93/923713193.db2.gz UUOCKGXCXSFESH-MCIONIFRSA-N 2 0 289.383 -0.447 20 0 CBADRP [NH3+][C@@H]1COCC[C@@H]1NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001550269565 923714619 /nfs/dbraw/zinc/71/46/19/923714619.db2.gz GGFOANRQTHINHZ-VWYCJHECSA-N 2 0 268.361 -0.314 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC001550278166 923715425 /nfs/dbraw/zinc/71/54/25/923715425.db2.gz RNUZQFMRUSMTSY-PSEXLTFBSA-N 2 0 282.388 -0.114 20 0 CBADRP [NH3+][C@@H]1COCC[C@@H]1NC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550284066 923716740 /nfs/dbraw/zinc/71/67/40/923716740.db2.gz GJJMEQHMESCKJK-LLUNPGSJSA-N 2 0 282.388 -0.068 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CCCO1 ZINC001550720642 923737926 /nfs/dbraw/zinc/73/79/26/923737926.db2.gz LDSCVIGWOJCMHA-WYUUTHIRSA-N 2 0 269.345 -0.918 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001550722397 923739395 /nfs/dbraw/zinc/73/93/95/923739395.db2.gz QOKVKMQCAKJXGG-NNYUYHANSA-N 2 0 265.357 -0.093 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1CCC[NH2+]C[C@@H]1F ZINC001550731499 923741009 /nfs/dbraw/zinc/74/10/09/923741009.db2.gz APXJEIHPBZEPIX-SDDRHHMPSA-N 2 0 288.367 -0.246 20 0 CBADRP [NH3+][C@@H]1CC[C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC001550731188 923741113 /nfs/dbraw/zinc/74/11/13/923741113.db2.gz LEWARLZMKNKJLJ-UTUOFQBUSA-N 2 0 270.377 -0.209 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001550733547 923741540 /nfs/dbraw/zinc/74/15/40/923741540.db2.gz BRSUBUBAABJLNC-BEVNXUHPSA-N 2 0 264.373 -0.011 20 0 CBADRP CC1(C)CN(C(=O)NC[C@H]2C[NH2+]CCCO2)C[C@H]1[NH3+] ZINC001550731015 923741863 /nfs/dbraw/zinc/74/18/63/923741863.db2.gz KBBDOPOSCJDBEL-GHMZBOCLSA-N 2 0 270.377 -0.256 20 0 CBADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CC[NH2+]C[C@@H](O)C1 ZINC001550738826 923742763 /nfs/dbraw/zinc/74/27/63/923742763.db2.gz CSOMUCOZJDIMOT-MGPQQGTHSA-N 2 0 296.415 -0.021 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CC[NH2+]C[C@H](O)C1 ZINC001550742847 923742966 /nfs/dbraw/zinc/74/29/66/923742966.db2.gz FGODZKXRDGTFDU-QWRGUYRKSA-N 2 0 268.361 -0.753 20 0 CBADRP [NH3+]C1CC(CCNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC001550736126 923743146 /nfs/dbraw/zinc/74/31/46/923743146.db2.gz PHXKXBZYXBAOSB-MCIGGMRASA-N 2 0 270.377 -0.209 20 0 CBADRP CN(C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCC[NH2+]C1 ZINC001550735495 923744206 /nfs/dbraw/zinc/74/42/06/923744206.db2.gz NLCJMZPQOJGXGV-RYUDHWBXSA-N 2 0 270.377 -0.242 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550754510 923746023 /nfs/dbraw/zinc/74/60/23/923746023.db2.gz AYCLAKBNFPVRIF-NEPJUHHUSA-N 2 0 282.388 -0.194 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CC[NH2+]C[C@H](O)C2)C1 ZINC001550748804 923747077 /nfs/dbraw/zinc/74/70/77/923747077.db2.gz VMWPSYNBSGDMSF-NEPJUHHUSA-N 2 0 284.404 -0.260 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001550756218 923747535 /nfs/dbraw/zinc/74/75/35/923747535.db2.gz PJRRVEMZKFIOGQ-NWDGAFQWSA-N 2 0 282.388 -0.112 20 0 CBADRP [NH3+]C1(CNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001550753079 923747704 /nfs/dbraw/zinc/74/77/04/923747704.db2.gz BDULRKOYWUCVCS-NSHDSACASA-N 2 0 282.388 -0.064 20 0 CBADRP C[C@H](C[NH3+])NC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550754897 923747910 /nfs/dbraw/zinc/74/79/10/923747910.db2.gz DJLRORSRYVDSNQ-GHMZBOCLSA-N 2 0 270.377 -0.209 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550913291 923754110 /nfs/dbraw/zinc/75/41/10/923754110.db2.gz OOOXHNQIRSQGEE-SWLSCSKDSA-N 2 0 296.415 -0.253 20 0 CBADRP NC(=O)[C@]12CCC[C@@H]1C[N@H+](C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC001551395352 923772893 /nfs/dbraw/zinc/77/28/93/923772893.db2.gz RBAKEQDRKFDPCO-JMSVASOKSA-N 2 0 279.384 -0.048 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001551458494 923795418 /nfs/dbraw/zinc/79/54/18/923795418.db2.gz JRRHEJMPWIMNSA-LBPRGKRZSA-N 2 0 285.388 -0.279 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[NH2+]CCC12CCOCC2 ZINC001551467826 923797343 /nfs/dbraw/zinc/79/73/43/923797343.db2.gz NUFHTZNNBJGFDH-UHFFFAOYSA-N 2 0 296.415 -0.737 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC12CCOCC2 ZINC001551466286 923797917 /nfs/dbraw/zinc/79/79/17/923797917.db2.gz RWSGXKZSEGOFMN-YVECIDJPSA-N 2 0 295.383 -0.528 20 0 CBADRP [NH3+]CCNC(=O)NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2 ZINC001551562685 923802389 /nfs/dbraw/zinc/80/23/89/923802389.db2.gz UGTCVVFAFBXHNN-IUCAKERBSA-N 2 0 266.267 -0.214 20 0 CBADRP [NH3+][C@@H]1CC12CC(NC(=O)N1CC[C@@H]3C[NH2+]C[C@H]31)C2 ZINC001551618798 923807256 /nfs/dbraw/zinc/80/72/56/923807256.db2.gz YROVPXJXKOHLFL-FRIYCTFISA-N 2 0 250.346 -0.131 20 0 CBADRP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC1CC2(C[C@H]2[NH3+])C1 ZINC001551618860 923808326 /nfs/dbraw/zinc/80/83/26/923808326.db2.gz YWVKTNYICNILDW-NCBWTUBMSA-N 2 0 296.415 -0.037 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001552086136 923826028 /nfs/dbraw/zinc/82/60/28/923826028.db2.gz FLVQUWLOQUEYDW-FOGDFJRCSA-N 2 0 276.344 -0.754 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC001552087919 923828022 /nfs/dbraw/zinc/82/80/22/923828022.db2.gz PKLBZXKVSZQSKJ-DMDPSCGWSA-N 2 0 290.371 -0.364 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC001552088043 923828129 /nfs/dbraw/zinc/82/81/29/923828129.db2.gz QOTPDJLBDDKMQN-MXWKQRLJSA-N 2 0 278.360 -0.330 20 0 CBADRP C[NH+](C)CCNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552087118 923828848 /nfs/dbraw/zinc/82/88/48/923828848.db2.gz LIOVPYMAXBAEPD-SECBINFHSA-N 2 0 252.322 -0.896 20 0 CBADRP O=C([C@@H]1C[NH2+]CCOC1)N1CCC[C@H]2C[NH2+]C[C@@H]21 ZINC001552088261 923829428 /nfs/dbraw/zinc/82/94/28/923829428.db2.gz RLCIZEZAFZYDEI-TUAOUCFPSA-N 2 0 253.346 -0.567 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N(C)CC[NH3+])cnn1C ZINC001552091561 923831927 /nfs/dbraw/zinc/83/19/27/923831927.db2.gz ZQEQBVUVBLCBFS-RYUDHWBXSA-N 2 0 265.361 -0.551 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001552107292 923835232 /nfs/dbraw/zinc/83/52/32/923835232.db2.gz KWUIRMQXSVZTGY-JHJVBQTASA-N 2 0 294.403 -0.161 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001552158653 923836590 /nfs/dbraw/zinc/83/65/90/923836590.db2.gz PMFCRLLHYQVYHB-KBPBESRZSA-N 2 0 280.416 -0.357 20 0 CBADRP O=C(CNC(=O)[C@H]1C[C@H]1C1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC001552157818 923837624 /nfs/dbraw/zinc/83/76/24/923837624.db2.gz ADBQQKMTRXNORQ-STQMWFEESA-N 2 0 294.399 -0.830 20 0 CBADRP Cc1c([C@H]2C[NH2+]C[C@H]2C(=O)NCC(C)(C)[NH3+])cnn1C ZINC001552161289 923838832 /nfs/dbraw/zinc/83/88/32/923838832.db2.gz LZTFMPDFWRPLPC-VXGBXAGGSA-N 2 0 279.388 -0.115 20 0 CBADRP C[NH2+]CCN(C)C(=O)[C@@H]1C[NH2+]C[C@@H]1c1cnn(C)c1C ZINC001552160755 923838864 /nfs/dbraw/zinc/83/88/64/923838864.db2.gz HFHWQHNWUISZFD-CHWSQXEVSA-N 2 0 279.388 -0.291 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552161145 923838914 /nfs/dbraw/zinc/83/89/14/923838914.db2.gz UABZDEXRLNIYCJ-AEJSXWLSSA-N 2 0 266.349 -0.332 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552161148 923839086 /nfs/dbraw/zinc/83/90/86/923839086.db2.gz UABZDEXRLNIYCJ-GUBZILKMSA-N 2 0 266.349 -0.332 20 0 CBADRP [NH3+][C@H]1CN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC12CC2 ZINC001552159829 923839204 /nfs/dbraw/zinc/83/92/04/923839204.db2.gz AVVKPOUCJKODEZ-KOLCDFICSA-N 2 0 276.344 -0.624 20 0 CBADRP O=C(N[C@@H]1CCO[C@@H]1C1CC[NH2+]CC1)[C@H]1C[NH2+]CCOC1 ZINC001552159949 923839343 /nfs/dbraw/zinc/83/93/43/923839343.db2.gz HHDPDFDPSMGJGG-BFHYXJOUSA-N 2 0 297.399 -0.504 20 0 CBADRP [NH3+][C@@H](CNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)C1CC1 ZINC001552161377 923839481 /nfs/dbraw/zinc/83/94/81/923839481.db2.gz MUKNYUOVWLWPSN-UWVGGRQHSA-N 2 0 264.333 -0.720 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cn([C@H]4CC[NH2+]C4)nn3)C[C@H]12 ZINC001552161312 923840095 /nfs/dbraw/zinc/84/00/95/923840095.db2.gz LQGCIWNMLLMCBM-NOOOWODRSA-N 2 0 290.371 -0.378 20 0 CBADRP C[NH2+]CCN(C)C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552160482 923840494 /nfs/dbraw/zinc/84/04/94/923840494.db2.gz CAZLOJDZPOOKIL-SECBINFHSA-N 2 0 252.322 -0.896 20 0 CBADRP [NH3+]C1(CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CCC1 ZINC001552161434 923840594 /nfs/dbraw/zinc/84/05/94/923840594.db2.gz NNBDKWWYVGRQTP-SECBINFHSA-N 2 0 264.333 -0.576 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC001552163769 923841661 /nfs/dbraw/zinc/84/16/61/923841661.db2.gz VOMDPCWPIFMTLU-QWRGUYRKSA-N 2 0 278.360 -0.364 20 0 CBADRP CN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)C1CC([NH3+])C1 ZINC001552163640 923841885 /nfs/dbraw/zinc/84/18/85/923841885.db2.gz IQTOUJLBIQLTTF-HWOCKDDLSA-N 2 0 264.333 -0.626 20 0 CBADRP C[C@@H]([NH3+])CCNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552163832 923842008 /nfs/dbraw/zinc/84/20/08/923842008.db2.gz XMPQSRKQADCBLI-BDAKNGLRSA-N 2 0 252.322 -0.720 20 0 CBADRP [NH3+]C[C@@H]1CCCCN1C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552163353 923842195 /nfs/dbraw/zinc/84/21/95/923842195.db2.gz OOHJNKZECDNOJY-WDEREUQCSA-N 2 0 278.360 -0.234 20 0 CBADRP [NH3+]C[C@@H]1C[C@H](F)CN1C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552162524 923842640 /nfs/dbraw/zinc/84/26/40/923842640.db2.gz ASLVNTJAVOLWGX-AEJSXWLSSA-N 2 0 282.323 -0.676 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H]2CCC[NH2+]2)cnn1C ZINC001552162743 923842653 /nfs/dbraw/zinc/84/26/53/923842653.db2.gz GSNRIXRTUZUSLA-UBHSHLNASA-N 2 0 291.399 -0.100 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2c2cnn(C)c2C)C1 ZINC001552162721 923842786 /nfs/dbraw/zinc/84/27/86/923842786.db2.gz GTLKEMHIXOPCFL-KWCYVHTRSA-N 2 0 291.399 -0.148 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552162895 923843030 /nfs/dbraw/zinc/84/30/30/923843030.db2.gz RFBWKCXLOQNZIR-IUCAKERBSA-N 2 0 252.322 -0.768 20 0 CBADRP C[C@H](NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[C@H]1CCC[NH2+]C1 ZINC001552163511 923843052 /nfs/dbraw/zinc/84/30/52/923843052.db2.gz SESUSHDEIVWJLJ-SRVKXCTJSA-N 2 0 292.387 -0.070 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552162629 923843162 /nfs/dbraw/zinc/84/31/62/923843162.db2.gz CEHKSMIKIFGPBY-NXEZZACHSA-N 2 0 264.333 -0.706 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H](C)[NH3+])cnn1C ZINC001552163278 923843197 /nfs/dbraw/zinc/84/31/97/923843197.db2.gz CJYRLONWUIJLFX-ZHAHWJHGSA-N 2 0 265.361 -0.505 20 0 CBADRP C[NH+]1CCC(NC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC001552166174 923844244 /nfs/dbraw/zinc/84/42/44/923844244.db2.gz APKXXOGIUJQEMO-LLVKDONJSA-N 2 0 278.360 -0.364 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC001552167939 923844633 /nfs/dbraw/zinc/84/46/33/923844633.db2.gz ZWUHWZYPBRGGMP-GHMZBOCLSA-N 2 0 278.360 -0.506 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552164403 923845310 /nfs/dbraw/zinc/84/53/10/923845310.db2.gz SZOFGFVPZQCPBM-BDAKNGLRSA-N 2 0 252.322 -0.850 20 0 CBADRP [NH3+]CC1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552195234 923847430 /nfs/dbraw/zinc/84/74/30/923847430.db2.gz VTNNUEQZPPJIEC-YPMHNXCESA-N 2 0 253.346 -0.580 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C[C@H](C)[NH2+]1 ZINC001552194748 923847619 /nfs/dbraw/zinc/84/76/19/923847619.db2.gz QSFXZMJCUQNOAA-XZUYRWCXSA-N 2 0 253.346 -0.569 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552195212 923848115 /nfs/dbraw/zinc/84/81/15/923848115.db2.gz SNTDSFOQBYJILM-NTZNESFSSA-N 2 0 253.346 -0.662 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)n1 ZINC001552200355 923855351 /nfs/dbraw/zinc/85/53/51/923855351.db2.gz ALFSNELFGPXMRA-BXUZGUMPSA-N 2 0 293.371 -0.381 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552200452 923855702 /nfs/dbraw/zinc/85/57/02/923855702.db2.gz CLKDGBLJAFYSMI-GYSYKLTISA-N 2 0 265.357 -0.425 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CCOCC1 ZINC001552199973 923856635 /nfs/dbraw/zinc/85/66/35/923856635.db2.gz BCMPMCBBXHCJPD-DOMZBBRYSA-N 2 0 297.399 -0.551 20 0 CBADRP O=C(N1CC[C@H]([NH+]2CCCC2)C1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552200523 923857104 /nfs/dbraw/zinc/85/71/04/923857104.db2.gz FQIWMTRVOYXWCI-IPYPFGDCSA-N 2 0 279.384 -0.081 20 0 CBADRP O=C(NCC[NH+]1CCCC1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552201109 923857818 /nfs/dbraw/zinc/85/78/18/923857818.db2.gz WQVQHKXYXPGQCG-DGCLKSJQSA-N 2 0 253.346 -0.566 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552201996 923858114 /nfs/dbraw/zinc/85/81/14/923858114.db2.gz YZBMLYSFEJYXCR-RGCMKSIDSA-N 2 0 295.383 -0.798 20 0 CBADRP O=C(N1CC[C@H]([NH+]2CCCC2)C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552200824 923858855 /nfs/dbraw/zinc/85/88/55/923858855.db2.gz FQIWMTRVOYXWCI-VNHYZAJKSA-N 2 0 279.384 -0.081 20 0 CBADRP CC1(CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC[NH2+]CC1 ZINC001552202265 923862604 /nfs/dbraw/zinc/86/26/04/923862604.db2.gz GGCOLOOYZSBNSH-BXUZGUMPSA-N 2 0 267.373 -0.272 20 0 CBADRP [NH3+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001552202545 923863748 /nfs/dbraw/zinc/86/37/48/923863748.db2.gz ITMXOSQKWYAXER-QFZUJPIRSA-N 2 0 279.384 -0.049 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CCO1 ZINC001552203560 923864664 /nfs/dbraw/zinc/86/46/64/923864664.db2.gz FZUFRIWOZDXMJC-BZPMIXESSA-N 2 0 283.372 -0.989 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC12CC2 ZINC001552204447 923865033 /nfs/dbraw/zinc/86/50/33/923865033.db2.gz NDHTWKVUZHUZRQ-OPQQBVKSSA-N 2 0 251.330 -0.828 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@@]12C[NH2+]C[C@H]1COC2)C(F)(F)F ZINC001552203650 923865583 /nfs/dbraw/zinc/86/55/83/923865583.db2.gz IBUSZFCRTPTABX-OYNCUSHFSA-N 2 0 281.278 -0.382 20 0 CBADRP C[NH+](C)C1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552203293 923865900 /nfs/dbraw/zinc/86/59/00/923865900.db2.gz ZHLURHBAOZLBLK-BXUZGUMPSA-N 2 0 267.373 -0.225 20 0 CBADRP C[C@]1(NC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC[NH2+]C1 ZINC001552217039 923872599 /nfs/dbraw/zinc/87/25/99/923872599.db2.gz ZKORJBNIJIPQEC-SKDRFNHKSA-N 2 0 264.333 -0.706 20 0 CBADRP [NH3+][C@@H]1COCCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC001552260108 923875478 /nfs/dbraw/zinc/87/54/78/923875478.db2.gz AKUFRRBHQTWPDR-SDDRHHMPSA-N 2 0 253.346 -0.297 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)C[NH2+]1 ZINC001552273499 923876987 /nfs/dbraw/zinc/87/69/87/923876987.db2.gz DADRUYNQSAYGIA-DCQANWLSSA-N 2 0 253.346 -0.521 20 0 CBADRP C[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC001552273185 923877141 /nfs/dbraw/zinc/87/71/41/923877141.db2.gz MIQWNHACTJEYTM-DDHJBXDOSA-N 2 0 253.346 -0.569 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552274369 923877710 /nfs/dbraw/zinc/87/77/10/923877710.db2.gz MSMQNIGQKWRFPM-JHJVBQTASA-N 2 0 267.373 -0.273 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552275314 923879786 /nfs/dbraw/zinc/87/97/86/923879786.db2.gz WNDVTDOUUCHYPK-IQLKVPPVSA-N 2 0 290.371 -0.092 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC001552281854 923880518 /nfs/dbraw/zinc/88/05/18/923880518.db2.gz GHCKGRJKGAHPLG-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N1C[C@@H](N)[C@@H]([NH3+])C1 ZINC001552293446 923881783 /nfs/dbraw/zinc/88/17/83/923881783.db2.gz PVRLWLKVIQQDDV-NDBYEHHHSA-N 2 0 281.404 -0.365 20 0 CBADRP CC(C)([NH3+])CCNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001552292403 923882306 /nfs/dbraw/zinc/88/23/06/923882306.db2.gz IOTHPXUFCYSACA-LBPRGKRZSA-N 2 0 283.420 -0.197 20 0 CBADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N1C[C@@H](N)[C@H]([NH3+])C1 ZINC001552292304 923883271 /nfs/dbraw/zinc/88/32/71/923883271.db2.gz HIHQQEJSMBRHSX-YVECIDJPSA-N 2 0 281.404 -0.365 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552284597 923883327 /nfs/dbraw/zinc/88/33/27/923883327.db2.gz BFOMMKHAIJHMEC-JBLDHEPKSA-N 2 0 289.326 -0.417 20 0 CBADRP N[C@@H]1CN(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001552291905 923883595 /nfs/dbraw/zinc/88/35/95/923883595.db2.gz FAVATPUUUPHEDG-WUHRBBMRSA-N 2 0 281.404 -0.602 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CC[C@@H]([NH3+])C2)CCCO1 ZINC001552340466 923887505 /nfs/dbraw/zinc/88/75/05/923887505.db2.gz PLGNCXZWVVTRAK-QJPTWQEYSA-N 2 0 270.377 -0.127 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N2CCCC[C@H]3[C@@H]2[C@H]3[NH3+])CCCO1 ZINC001552340812 923887780 /nfs/dbraw/zinc/88/77/80/923887780.db2.gz BZVQIFCVJVGWQN-FVCCEPFGSA-N 2 0 282.388 -0.032 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001552346539 923888010 /nfs/dbraw/zinc/88/80/10/923888010.db2.gz KIWXCLBUJCUVNC-JHJVBQTASA-N 2 0 284.404 -0.009 20 0 CBADRP [NH3+][C@@H]1CC[C@@H](CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC001552341056 923888123 /nfs/dbraw/zinc/88/81/23/923888123.db2.gz RHIOJHBMOHYOLM-MCIONIFRSA-N 2 0 295.431 -0.197 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCC[NH2+]C[C@H]2F)CCCO1 ZINC001552338251 923888752 /nfs/dbraw/zinc/88/87/52/923888752.db2.gz ITWFBJWZYXSYJF-UTUOFQBUSA-N 2 0 288.367 -0.164 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]C1 ZINC001552418643 923895556 /nfs/dbraw/zinc/89/55/56/923895556.db2.gz JLRNYZMUBVLSQS-GFCCVEGCSA-N 2 0 254.378 -0.603 20 0 CBADRP Cc1c(C(=O)N[C@@H]2CCC[NH2+]C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552419348 923896295 /nfs/dbraw/zinc/89/62/95/923896295.db2.gz YXTBDYMLLKZXQP-MNOVXSKESA-N 2 0 278.360 -0.397 20 0 CBADRP Cc1c(C(=O)NCC[C@H](C)[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552419424 923896438 /nfs/dbraw/zinc/89/64/38/923896438.db2.gz VCSDRSDNNGFYBG-WCBMZHEXSA-N 2 0 266.349 -0.412 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)c1cnnn1C1CC[NH2+]CC1 ZINC001552419400 923897444 /nfs/dbraw/zinc/89/74/44/923897444.db2.gz STAVXBFAWSRWPF-SNVBAGLBSA-N 2 0 278.360 -0.316 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CCO1 ZINC001552420624 923899225 /nfs/dbraw/zinc/89/92/25/923899225.db2.gz QPUAFBZDCLMVON-HOSYDEDBSA-N 2 0 293.371 -0.325 20 0 CBADRP Cc1c(C(=O)N2CC[NH2+][C@H](C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552420379 923899679 /nfs/dbraw/zinc/89/96/79/923899679.db2.gz PDDZYIJCKKNFSA-MWLCHTKSSA-N 2 0 278.360 -0.445 20 0 CBADRP Cc1c(C(=O)NC[C@H]2CC[N@@H+](C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552434503 923903952 /nfs/dbraw/zinc/90/39/52/923903952.db2.gz SYNCWHRYXSOPJG-VXGBXAGGSA-N 2 0 292.387 -0.198 20 0 CBADRP [NH3+][C@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)C1CC1 ZINC001552436396 923904171 /nfs/dbraw/zinc/90/41/71/923904171.db2.gz JVMARWADCMOUHL-LLVKDONJSA-N 2 0 278.360 -0.330 20 0 CBADRP [NH3+][C@@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)C1CC1 ZINC001552436397 923904226 /nfs/dbraw/zinc/90/42/26/923904226.db2.gz JVMARWADCMOUHL-NSHDSACASA-N 2 0 278.360 -0.330 20 0 CBADRP Cc1c(C(=O)NC2CC[NH+](C)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552433038 923905449 /nfs/dbraw/zinc/90/54/49/923905449.db2.gz ZNNGBOORSAWKEN-GFCCVEGCSA-N 2 0 292.387 -0.055 20 0 CBADRP Cc1c(C(=O)N[C@H](C)[C@@H](C)[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552438380 923906885 /nfs/dbraw/zinc/90/68/85/923906885.db2.gz NNPLAAILUUTBLH-NQMVMOMDSA-N 2 0 266.349 -0.414 20 0 CBADRP Cc1c(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552437600 923907070 /nfs/dbraw/zinc/90/70/70/923907070.db2.gz QJSOTOFYYGRULN-MVWJERBFSA-N 2 0 292.387 -0.009 20 0 CBADRP O=C(c1cnnn1C1CC[NH2+]CC1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001552437978 923907646 /nfs/dbraw/zinc/90/76/46/923907646.db2.gz UVHUIPHPNLKBMM-GHMZBOCLSA-N 2 0 290.371 -0.506 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001552443116 923909299 /nfs/dbraw/zinc/90/92/99/923909299.db2.gz ZMUNGKMKIJBJLX-UWVGGRQHSA-N 2 0 279.344 -0.795 20 0 CBADRP Cc1c(C(=O)N(C)[C@@H](C[NH3+])C2CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552441708 923910001 /nfs/dbraw/zinc/91/00/01/923910001.db2.gz KAKKKNHIKRXZIZ-NEPJUHHUSA-N 2 0 292.387 -0.070 20 0 CBADRP Cc1c(C(=O)N(C)CC[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552441879 923910937 /nfs/dbraw/zinc/91/09/37/923910937.db2.gz NBULJVBUACLUHH-VIFPVBQESA-N 2 0 252.322 -0.848 20 0 CBADRP O=C([C@@H]1CCCC[NH2+]C1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC001552440688 923911011 /nfs/dbraw/zinc/91/10/11/923911011.db2.gz DXKTXLIPGQTYMH-UTUOFQBUSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)c2cccc3c2C[NH2+]C3)C[C@H]1n1ccnn1 ZINC001552678965 923911994 /nfs/dbraw/zinc/91/19/94/923911994.db2.gz AKIDORJUORBOMN-ZIAGYGMSSA-N 2 0 298.350 -0.094 20 0 CBADRP C[NH2+]CCNC(=O)c1cn([C@@H]2CCCC[C@H]2[NH3+])nn1 ZINC001552685153 923913732 /nfs/dbraw/zinc/91/37/32/923913732.db2.gz WTNFLBBLBOBHDI-MWLCHTKSSA-N 2 0 266.349 -0.330 20 0 CBADRP CCO[C@H]1CN(Cc2cnn3c2C[NH2+]CC3)C[C@@H]1C[NH3+] ZINC001552687088 923916184 /nfs/dbraw/zinc/91/61/84/923916184.db2.gz NOFLMTSGKWKPMH-FZMZJTMJSA-N 2 0 279.388 -0.218 20 0 CBADRP [NH3+][C@H]1CCCC[C@H]1n1cc(C(=O)N2CC[NH2+]CC2)nn1 ZINC001552686548 923916386 /nfs/dbraw/zinc/91/63/86/923916386.db2.gz VRIIZBUBKKGOAB-CMPLNLGQSA-N 2 0 278.360 -0.234 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@]34CCC[C@@H]3[NH2+]CC4)CCN2C1=O ZINC001552842658 923920272 /nfs/dbraw/zinc/92/02/72/923920272.db2.gz AIRMOCPDJIEHDC-FJJYHAOUSA-N 2 0 292.383 -0.711 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC001552837455 923920644 /nfs/dbraw/zinc/92/06/44/923920644.db2.gz ZTFJSKABIBUNHO-NKWVEPMBSA-N 2 0 288.302 -0.173 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001552808288 923921092 /nfs/dbraw/zinc/92/10/92/923921092.db2.gz ZNZQNDXBBJFWCB-KGLIPLIRSA-N 2 0 297.447 -0.032 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@]23CCC[C@@H]2[NH2+]CC3)CCO1 ZINC001552837402 923921385 /nfs/dbraw/zinc/92/13/85/923921385.db2.gz YDFXDJOOAVBBHK-MDZLAQPJSA-N 2 0 253.346 -0.295 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)NCC3([NH3+])CCC3)C2)CC1 ZINC001552954625 923926657 /nfs/dbraw/zinc/92/66/57/923926657.db2.gz XLJQHEWUQFSJBT-CYBMUJFWSA-N 2 0 295.431 -0.101 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001552954331 923926768 /nfs/dbraw/zinc/92/67/68/923926768.db2.gz SMMJBKSRCBJMSF-GXTWGEPZSA-N 2 0 281.404 -0.525 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)NC[C@@H]3CCC[NH2+]3)C2)CC1 ZINC001552954901 923927223 /nfs/dbraw/zinc/92/72/23/923927223.db2.gz NESXYRNPLZVIPM-KBPBESRZSA-N 2 0 295.431 -0.230 20 0 CBADRP N[C@@H]1CN(C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C[C@@H]1[NH3+] ZINC001552959915 923927614 /nfs/dbraw/zinc/92/76/14/923927614.db2.gz IGXWRKDEPLYVIV-MBNYWOFBSA-N 2 0 281.404 -0.458 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001552955962 923928240 /nfs/dbraw/zinc/92/82/40/923928240.db2.gz QFIIIAXEEIMFEZ-STQMWFEESA-N 2 0 283.420 -0.245 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001552959416 923928275 /nfs/dbraw/zinc/92/82/75/923928275.db2.gz WOFRIWGMBKDMJH-MJBXVCDLSA-N 2 0 295.431 -0.232 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001552954579 923928715 /nfs/dbraw/zinc/92/87/15/923928715.db2.gz LHMKKAUWMNXNOC-ZIAGYGMSSA-N 2 0 295.431 -0.230 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@H]([NH3+])C3CC3)C2)CC1 ZINC001552954563 923928773 /nfs/dbraw/zinc/92/87/73/923928773.db2.gz DQJBHMIATKCTQT-ZIAGYGMSSA-N 2 0 295.431 -0.245 20 0 CBADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CC[C@@H]2C[NH2+]C[C@H]21 ZINC001552973335 923931456 /nfs/dbraw/zinc/93/14/56/923931456.db2.gz OTKKVWKLFCZIQV-YRGRVCCFSA-N 2 0 276.388 -0.004 20 0 CBADRP CCO[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1C[NH3+] ZINC001553014108 923935493 /nfs/dbraw/zinc/93/54/93/923935493.db2.gz MSCMYZSHEBWTOR-YNEHKIRRSA-N 3 0 269.389 -0.340 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C[C@@H]3CCCC[NH2+]C3)CCN2C1=O ZINC001553304952 923946167 /nfs/dbraw/zinc/94/61/67/923946167.db2.gz QHHBLJPCFDTVBN-FRRDWIJNSA-N 2 0 266.389 -0.380 20 0 CBADRP [NH3+][C@@H]1COCCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC001553304316 923947993 /nfs/dbraw/zinc/94/79/93/923947993.db2.gz DONMHWMDGMWRLL-RWMBFGLXSA-N 2 0 255.362 -0.586 20 0 CBADRP [NH3+]C1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CCOC3)CC1 ZINC001553343166 923949296 /nfs/dbraw/zinc/94/92/96/923949296.db2.gz ICTBTRNIRREKNF-ZWNOBZJWSA-N 2 0 253.346 -0.438 20 0 CBADRP [NH3+]C1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCOC3)CC1 ZINC001553343160 923949768 /nfs/dbraw/zinc/94/97/68/923949768.db2.gz ICTBTRNIRREKNF-GWCFXTLKSA-N 2 0 253.346 -0.438 20 0 CBADRP [NH3+][C@H]1COCCN(Cc2ccc(N3CC[NH2+]CC3)o2)C1 ZINC001553309995 923950289 /nfs/dbraw/zinc/95/02/89/923950289.db2.gz NBRDYGAXAGRWMY-GFCCVEGCSA-N 2 0 280.372 -0.151 20 0 CBADRP CN1CC[C@@]2(C(=O)N3CCC([NH3+])CC3)C[NH2+]C[C@H]2C1 ZINC001553345831 923950347 /nfs/dbraw/zinc/95/03/47/923950347.db2.gz XRTJHHHMSCMREV-SMDDNHRTSA-N 2 0 266.389 -0.523 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CN(C)CC3)C1 ZINC001553348118 923952462 /nfs/dbraw/zinc/95/24/62/923952462.db2.gz IQXLXTGGVSXHQY-OUCADQQQSA-N 2 0 266.389 -0.652 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NC[C@@H]3CCCC[NH2+]3)C[NH2+]C[C@@H]2C1 ZINC001553352004 923952500 /nfs/dbraw/zinc/95/25/00/923952500.db2.gz LWTCJUQQKIMZEY-IPYPFGDCSA-N 3 0 280.416 -0.214 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)[C@@]12C[NH2+]C[C@H]1COCC2 ZINC001553347229 923953555 /nfs/dbraw/zinc/95/35/55/923953555.db2.gz BMVUYODELKBQEC-JSGCOSHPSA-N 2 0 267.373 -0.272 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@]12C[NH2+]C[C@@H]1CCOC2 ZINC001553351907 923953609 /nfs/dbraw/zinc/95/36/09/923953609.db2.gz PSVVAVSOPCQWGH-DMDPSCGWSA-N 2 0 253.346 -0.519 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2COCC3)CC[C@@H]1[NH3+] ZINC001553355263 923955493 /nfs/dbraw/zinc/95/54/93/923955493.db2.gz NAAUYLPZEUZHES-UHXUPSOCSA-N 2 0 267.373 -0.192 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@@H]2C1 ZINC001553352099 923956034 /nfs/dbraw/zinc/95/60/34/923956034.db2.gz GMCKILCTWJWGES-SYQHCUMBSA-N 2 0 280.416 -0.277 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553353462 923956158 /nfs/dbraw/zinc/95/61/58/923956158.db2.gz DTOHFVUKKHDTBJ-OUCADQQQSA-N 3 0 268.405 -0.373 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@H]2C1 ZINC001553352103 923956192 /nfs/dbraw/zinc/95/61/92/923956192.db2.gz GMCKILCTWJWGES-YIYPIFLZSA-N 2 0 280.416 -0.277 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NCC[C@H]3CC[NH2+]C3)C[NH2+]C[C@H]2C1 ZINC001553352166 923956300 /nfs/dbraw/zinc/95/63/00/923956300.db2.gz GZAKOWSZSLAUJO-IPYPFGDCSA-N 3 0 280.416 -0.357 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@]12CC[C@H]1C[NH2+]C2 ZINC001553352779 923956885 /nfs/dbraw/zinc/95/68/85/923956885.db2.gz JDRQXAHELXVOQS-GXTWGEPZSA-N 2 0 266.389 -0.650 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)N[C@@H](C[NH3+])C3CC3)C[NH2+]C[C@@H]2C1 ZINC001553355602 923957035 /nfs/dbraw/zinc/95/70/35/923957035.db2.gz BOFABLYHDGOHCC-DYEKYZERSA-N 3 0 266.389 -0.619 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NC[C@@H]3CCC[NH2+]3)C[NH2+]C[C@H]2C1 ZINC001553355455 923958020 /nfs/dbraw/zinc/95/80/20/923958020.db2.gz YCVRNRAZPYZOJC-OBJOEFQTSA-N 3 0 266.389 -0.604 20 0 CBADRP CN(C(=O)[C@@]12C[NH2+]C[C@@H]1CN(C)CC2)[C@@H]1CC[NH2+]C1 ZINC001553358071 923959595 /nfs/dbraw/zinc/95/95/95/923959595.db2.gz KKIUTFUDDATYKB-BZPMIXESSA-N 2 0 266.389 -0.652 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCOC3)C1 ZINC001553357497 923959658 /nfs/dbraw/zinc/95/96/58/923959658.db2.gz IVKLXCFDCYQMSO-OBJOEFQTSA-N 2 0 267.373 -0.320 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCOC3)C1 ZINC001553356007 923959691 /nfs/dbraw/zinc/95/96/91/923959691.db2.gz QREWQPBVRLTRQO-SCRDCRAPSA-N 2 0 267.373 -0.177 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCOC3)CC1 ZINC001553358264 923961732 /nfs/dbraw/zinc/96/17/32/923961732.db2.gz NPVBAMJFRSWTQH-SMDDNHRTSA-N 2 0 267.373 -0.177 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@]12C[NH2+]C[C@@H]1CN(C)CC2 ZINC001553358457 923961890 /nfs/dbraw/zinc/96/18/90/923961890.db2.gz HVKAFPSSTNUUMM-IUODEOHRSA-N 2 0 282.432 -0.029 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(C)CC3)C1 ZINC001553355979 923962832 /nfs/dbraw/zinc/96/28/32/923962832.db2.gz QLJGOHGIPDRWHR-NFAWXSAZSA-N 2 0 280.416 -0.262 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NC[C@H]3CCCO3)C[NH2+]C[C@@H]2C1 ZINC001553362675 923963847 /nfs/dbraw/zinc/96/38/47/923963847.db2.gz RPTRCSYESQNCIA-BZPMIXESSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2COCC3)CCO1 ZINC001553359555 923964466 /nfs/dbraw/zinc/96/44/66/923964466.db2.gz MEKGZKFNDWDSKI-MNXVOIDGSA-N 2 0 283.372 -0.813 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@]12C[NH2+]C[C@@H]1COCC2 ZINC001553360045 923966449 /nfs/dbraw/zinc/96/64/49/923966449.db2.gz XZQBBODONHMSTE-NQBHXWOUSA-N 2 0 255.362 -0.288 20 0 CBADRP CCN(CC(=O)N(C)C)C(=O)[C@]12C[NH2+]C[C@H]1CN(C)CC2 ZINC001553396838 923971121 /nfs/dbraw/zinc/97/11/21/923971121.db2.gz LMJQQSUNKKQKQZ-SWLSCSKDSA-N 2 0 296.415 -0.536 20 0 CBADRP Cn1nccc1CNC(=O)[C@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553402128 923971479 /nfs/dbraw/zinc/97/14/79/923971479.db2.gz MFOSEFHTEDJSDG-SMDDNHRTSA-N 2 0 277.372 -0.422 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553401462 923972456 /nfs/dbraw/zinc/97/24/56/923972456.db2.gz HLQUAWLHRLTCHC-WHOHXGKFSA-N 2 0 253.346 -0.378 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553405863 923976936 /nfs/dbraw/zinc/97/69/36/923976936.db2.gz FELTULAXUJPGOI-GCHJQGSQSA-N 2 0 253.346 -0.380 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553405711 923978006 /nfs/dbraw/zinc/97/80/06/923978006.db2.gz DBUYNZXHNRGQKY-KNZXXDILSA-N 2 0 253.346 -0.299 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553409372 923983570 /nfs/dbraw/zinc/98/35/70/923983570.db2.gz JXKRXHUKBDYSDK-RNJOBUHISA-N 2 0 283.372 -0.657 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001553409022 923983648 /nfs/dbraw/zinc/98/36/48/923983648.db2.gz KUNWICQOONOPDT-BNDIWNMDSA-N 2 0 265.357 -0.284 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553410362 923983673 /nfs/dbraw/zinc/98/36/73/923983673.db2.gz KXRHPDIZAWCPCY-RFGFWPKPSA-N 2 0 297.399 -0.267 20 0 CBADRP C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553408987 923983705 /nfs/dbraw/zinc/98/37/05/923983705.db2.gz KKFXAKLGRLOQAQ-SRVKXCTJSA-N 2 0 253.346 -0.330 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553408942 923985193 /nfs/dbraw/zinc/98/51/93/923985193.db2.gz KHQBIUPKQBRXHX-YIYPIFLZSA-N 2 0 296.415 -0.742 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CCOCC1 ZINC001553413962 923986157 /nfs/dbraw/zinc/98/61/57/923986157.db2.gz REYVSPASYQPLIO-RWMBFGLXSA-N 2 0 297.399 -0.267 20 0 CBADRP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553413825 923988396 /nfs/dbraw/zinc/98/83/96/923988396.db2.gz WEUIRHLOHRWAEF-NOOOWODRSA-N 2 0 253.346 -0.332 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553415056 923991142 /nfs/dbraw/zinc/99/11/42/923991142.db2.gz YBRCRKRIOSGWMN-MELADBBJSA-N 2 0 297.399 -0.314 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001553420229 923992199 /nfs/dbraw/zinc/99/21/99/923992199.db2.gz IEGQSPULNPSVCE-CYDGBPFRSA-N 2 0 283.372 -0.921 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C[C@H]1C[NH3+] ZINC001553426494 923993895 /nfs/dbraw/zinc/99/38/95/923993895.db2.gz WKWBKXKYPXPMHT-JCIQBVFBSA-N 2 0 253.346 -0.441 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553428229 923996272 /nfs/dbraw/zinc/99/62/72/923996272.db2.gz FZYVOXJFJCLTSM-PZWNZHSQSA-N 2 0 253.346 -0.523 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC[C@@H]1C[NH3+] ZINC001553433504 923997813 /nfs/dbraw/zinc/99/78/13/923997813.db2.gz SLICFUFPYGLENQ-KVSVUVNWSA-N 2 0 267.373 -0.051 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553432032 923998782 /nfs/dbraw/zinc/99/87/82/923998782.db2.gz QQIMDRZPAREXOF-WYUUTHIRSA-N 2 0 253.346 -0.297 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001553439886 924002246 /nfs/dbraw/zinc/00/22/46/924002246.db2.gz WLIRDYVDTGRPDH-KKOKHZNYSA-N 2 0 252.362 -0.073 20 0 CBADRP O=C(NC1CC[NH2+]CC1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001553489347 924008485 /nfs/dbraw/zinc/00/84/85/924008485.db2.gz DMNPNBBEZRKCLR-ZIAGYGMSSA-N 2 0 296.415 -0.021 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N1CC[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001553491958 924009174 /nfs/dbraw/zinc/00/91/74/924009174.db2.gz NFLGYIZSAROVGJ-KBPBESRZSA-N 2 0 295.431 -0.467 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553496655 924012851 /nfs/dbraw/zinc/01/28/51/924012851.db2.gz MICAHAMQBLHCQV-MNOVXSKESA-N 2 0 270.377 -0.127 20 0 CBADRP [NH3+]CCCNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553497577 924013498 /nfs/dbraw/zinc/01/34/98/924013498.db2.gz SZELYPSXMKUALL-SNVBAGLBSA-N 2 0 256.350 -0.597 20 0 CBADRP O=C(NCC1C[NH2+]C1)N1CC[C@H]2CC[NH2+]C[C@H]2C1 ZINC001553497095 924013670 /nfs/dbraw/zinc/01/36/70/924013670.db2.gz ONJQJYFNADSUHH-NEPJUHHUSA-N 2 0 252.362 -0.153 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001553501161 924014201 /nfs/dbraw/zinc/01/42/01/924014201.db2.gz GEEXXHDFQVCJCR-XQQFMLRXSA-N 2 0 282.388 -0.384 20 0 CBADRP [NH3+][C@@H](CNC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2)C1CC1 ZINC001553498654 924014522 /nfs/dbraw/zinc/01/45/22/924014522.db2.gz VCRSDUCRAVHUPY-RYUDHWBXSA-N 2 0 282.388 -0.127 20 0 CBADRP C[C@H]([NH3+])CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553502680 924015545 /nfs/dbraw/zinc/01/55/45/924015545.db2.gz KSXHCGAKJLMWJG-SRVKXCTJSA-N 2 0 270.377 -0.426 20 0 CBADRP C[NH2+][C@@H](C)CNC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553502796 924017098 /nfs/dbraw/zinc/01/70/98/924017098.db2.gz NHSSFZNHTWTBNU-QWRGUYRKSA-N 2 0 270.377 -0.256 20 0 CBADRP C[C@H]([NH3+])CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553502682 924017840 /nfs/dbraw/zinc/01/78/40/924017840.db2.gz KSXHCGAKJLMWJG-TUAOUCFPSA-N 2 0 270.377 -0.426 20 0 CBADRP C[C@@H]([NH3+])CCNC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553511529 924019056 /nfs/dbraw/zinc/01/90/56/924019056.db2.gz DIOYYVORIDCREX-GHMZBOCLSA-N 2 0 270.377 -0.127 20 0 CBADRP [NH3+][C@H]1CN(C(=O)NC[C@H]2CCC[NH2+]2)CC12CCOCC2 ZINC001553511131 924019484 /nfs/dbraw/zinc/01/94/84/924019484.db2.gz VXIZLIMDAGWAAL-NEPJUHHUSA-N 2 0 282.388 -0.112 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001553512974 924020079 /nfs/dbraw/zinc/02/00/79/924020079.db2.gz FZGHGPZVNJLIML-YNEHKIRRSA-N 2 0 282.388 -0.384 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)NC[C@H]3CCC[NH2+]3)C[C@H]2[NH3+])c1 ZINC001553512273 924020177 /nfs/dbraw/zinc/02/01/77/924020177.db2.gz XXWANOIXVVKOBE-IJLUTSLNSA-N 2 0 292.387 -0.392 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001553512971 924020298 /nfs/dbraw/zinc/02/02/98/924020298.db2.gz FZGHGPZVNJLIML-RWMBFGLXSA-N 2 0 282.388 -0.384 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553514658 924020551 /nfs/dbraw/zinc/02/05/51/924020551.db2.gz QCSWHMFZSRYVQQ-WDEREUQCSA-N 2 0 270.377 -0.209 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC001553518056 924022763 /nfs/dbraw/zinc/02/27/63/924022763.db2.gz UTNQHSKEKGZRPF-JHJVBQTASA-N 2 0 282.388 -0.242 20 0 CBADRP N[C@@H]1CN(C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C[C@H]1[NH3+] ZINC001553523478 924024065 /nfs/dbraw/zinc/02/40/65/924024065.db2.gz FEAGUSXISZKUJF-NQBHXWOUSA-N 2 0 267.377 -0.705 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001553531771 924025280 /nfs/dbraw/zinc/02/52/80/924025280.db2.gz FZZDLQYCWLARKO-MMWGEVLESA-N 2 0 252.362 -0.170 20 0 CBADRP [NH3+]CC1(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC001553534688 924025309 /nfs/dbraw/zinc/02/53/09/924025309.db2.gz YTXVUVIDTQJJJN-STQMWFEESA-N 2 0 296.415 -0.034 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001553544628 924028649 /nfs/dbraw/zinc/02/86/49/924028649.db2.gz QTVINBQBOURMSQ-WYFGTUCQSA-N 2 0 256.325 -0.120 20 0 CBADRP [NH3+][C@H]1CN(C(=O)NCC2([NH3+])CC2)CC12CCOCC2 ZINC001553540137 924029370 /nfs/dbraw/zinc/02/93/70/924029370.db2.gz UPWACNUXSSMHBE-JTQLQIEISA-N 2 0 268.361 -0.373 20 0 CBADRP C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001553648529 924031064 /nfs/dbraw/zinc/03/10/64/924031064.db2.gz LPWRMUNSDNHXBB-NEPJUHHUSA-N 2 0 267.373 -0.347 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCCC[C@@H]2C[NH3+])CC1=O ZINC000237159917 282101323 /nfs/dbraw/zinc/10/13/23/282101323.db2.gz ZNTXKIBADBWELV-QWHCGFSZSA-N 2 0 296.415 -0.264 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC1CC[NH+](C)CC1 ZINC000337587846 214169494 /nfs/dbraw/zinc/16/94/94/214169494.db2.gz AZEMXVPPCZTCCR-CYBMUJFWSA-N 2 0 272.393 -0.308 20 0 CBADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000113514966 282121940 /nfs/dbraw/zinc/12/19/40/282121940.db2.gz BZAMHAMCSYIUDT-UONOGXRCSA-N 2 0 271.405 -0.437 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@@H]21 ZINC000125345757 187180494 /nfs/dbraw/zinc/18/04/94/187180494.db2.gz VFIKDHMYUKCGPI-RWMBFGLXSA-N 2 0 267.373 -0.096 20 0 CBADRP CC(C)[NH+](CCNC(=O)C(=O)N1CC[NH2+]CC1)C(C)C ZINC000337819602 214274199 /nfs/dbraw/zinc/27/41/99/214274199.db2.gz QXDLSCYDEPITNR-UHFFFAOYSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH2+][C@@H](C(=O)N1CCC[NH2+]CC1)c1cnn(C)c1 ZINC000573367598 334931918 /nfs/dbraw/zinc/93/19/18/334931918.db2.gz GTZMYRQDGIAICN-LLVKDONJSA-N 2 0 251.334 -0.498 20 0 CBADRP C[NH+](C)C/C=C\C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000491863406 230330711 /nfs/dbraw/zinc/33/07/11/230330711.db2.gz DZGNCVWJMQFJBY-WAYWQWQTSA-N 2 0 282.388 -0.663 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000125658233 187195129 /nfs/dbraw/zinc/19/51/29/187195129.db2.gz XXQPYWMCGJBFOQ-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP CC(C)[C@H](C(=O)NCCN1CC[NH2+]CC1)[NH+](C)C ZINC000125690614 187195839 /nfs/dbraw/zinc/19/58/39/187195839.db2.gz MNMBRCQUBMAWIH-GFCCVEGCSA-N 2 0 256.394 -0.406 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000419145727 282188680 /nfs/dbraw/zinc/18/86/80/282188680.db2.gz ZBTXOGNXQUHENA-JHJVBQTASA-N 2 0 296.415 -0.075 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000126075125 187215072 /nfs/dbraw/zinc/21/50/72/187215072.db2.gz PUPGFWGVBWDMDK-AAEUAGOBSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000126074890 187215407 /nfs/dbraw/zinc/21/54/07/187215407.db2.gz PUPGFWGVBWDMDK-YPMHNXCESA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000423232877 290656178 /nfs/dbraw/zinc/65/61/78/290656178.db2.gz IXYHXVJXGSVRMA-NSHDSACASA-N 2 0 270.377 -0.783 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419135878 290657658 /nfs/dbraw/zinc/65/76/58/290657658.db2.gz MBCVHNYKEBKVOV-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000126161921 187221985 /nfs/dbraw/zinc/22/19/85/187221985.db2.gz UVTHORDXSCUTQE-AAEUAGOBSA-N 2 0 284.404 -0.456 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000126201556 187224199 /nfs/dbraw/zinc/22/41/99/187224199.db2.gz GLXQYECPDIEFCN-AWEZNQCLSA-N 2 0 298.431 -0.114 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H](C)[NH+](C)C ZINC000126209741 187224341 /nfs/dbraw/zinc/22/43/41/187224341.db2.gz YQEPXUNBZCIBFY-KOLCDFICSA-N 2 0 258.366 -0.848 20 0 CBADRP COC(=O)CNC(=O)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350919253 219069612 /nfs/dbraw/zinc/06/96/12/219069612.db2.gz OJFCKGZZGWQOHW-UHFFFAOYSA-N 2 0 285.388 -0.061 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[N@H+](C)C1CC1 ZINC000126320650 187232395 /nfs/dbraw/zinc/23/23/95/187232395.db2.gz CLZMECBFHYRDPY-LBPRGKRZSA-N 2 0 270.377 -0.704 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000126316226 187232905 /nfs/dbraw/zinc/23/29/05/187232905.db2.gz ZSLVLJNTGWTDQK-YPMHNXCESA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000573443316 334938231 /nfs/dbraw/zinc/93/82/31/334938231.db2.gz HBHQVZGBXCDINC-FRRDWIJNSA-N 2 0 296.415 -0.312 20 0 CBADRP C[NH+](C)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000331510896 282260525 /nfs/dbraw/zinc/26/05/25/282260525.db2.gz PNLXSZCRSWBTAU-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000423590440 290686999 /nfs/dbraw/zinc/68/69/99/290686999.db2.gz AZGCPPJVFFDJNC-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000351516539 219112342 /nfs/dbraw/zinc/11/23/42/219112342.db2.gz GHDQHTHIOBVDHA-RYUDHWBXSA-N 2 0 280.372 -0.839 20 0 CBADRP CCCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000351519315 219112740 /nfs/dbraw/zinc/11/27/40/219112740.db2.gz DZNCQYULULBMNY-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCC[NH+]1CCCC1 ZINC000351525193 219116731 /nfs/dbraw/zinc/11/67/31/219116731.db2.gz UGQVESIFYLLWCO-GFCCVEGCSA-N 2 0 282.388 -0.543 20 0 CBADRP C[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000351532364 219117279 /nfs/dbraw/zinc/11/72/79/219117279.db2.gz GJOYEDRBTFSWOQ-QWHCGFSZSA-N 2 0 296.415 -0.297 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000351541902 219121642 /nfs/dbraw/zinc/12/16/42/219121642.db2.gz QKLNJFWREIXDCU-STQMWFEESA-N 2 0 294.399 -0.449 20 0 CBADRP COCC1(CNC(=O)[C@]23C[C@H]2CC[NH2+]3)CC[NH2+]CC1 ZINC000573556340 334946737 /nfs/dbraw/zinc/94/67/37/334946737.db2.gz IFTBDQPHWMTPEK-RISCZKNCSA-N 2 0 267.373 -0.129 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351552429 219123696 /nfs/dbraw/zinc/12/36/96/219123696.db2.gz ALQRACFNGFPDAD-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000351556824 219125050 /nfs/dbraw/zinc/12/50/50/219125050.db2.gz HNAWCGKZSBPABA-IJLUTSLNSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000351556396 219125540 /nfs/dbraw/zinc/12/55/40/219125540.db2.gz NZOLKQFZOQUPAO-NQBHXWOUSA-N 2 0 294.399 -0.404 20 0 CBADRP C[NH+](C)C(C)(C)CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351555669 219125704 /nfs/dbraw/zinc/12/57/04/219125704.db2.gz MENPNTUKYJDPTM-JTQLQIEISA-N 2 0 270.377 -0.689 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351567719 219127738 /nfs/dbraw/zinc/12/77/38/219127738.db2.gz MKFJVZLTLHRFRX-WDEREUQCSA-N 2 0 268.361 -0.935 20 0 CBADRP C[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000573605617 334951225 /nfs/dbraw/zinc/95/12/25/334951225.db2.gz IHXUHQHTHXPZAQ-QJPTWQEYSA-N 2 0 282.388 -0.641 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351569029 219130466 /nfs/dbraw/zinc/13/04/66/219130466.db2.gz NJRXRJWRYGYHOY-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085370816 179040867 /nfs/dbraw/zinc/04/08/67/179040867.db2.gz AVDVWEFVKWGRQK-OLZOCXBDSA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000573786870 334965801 /nfs/dbraw/zinc/96/58/01/334965801.db2.gz RLJIGJNKLOXEPD-IGQOVBAYSA-N 2 0 296.415 -0.044 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000331453212 295760537 /nfs/dbraw/zinc/76/05/37/295760537.db2.gz XWWXHDJAVFSHME-GFCCVEGCSA-N 2 0 294.399 -0.449 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H](O)C2)CC1 ZINC000351776036 219203109 /nfs/dbraw/zinc/20/31/09/219203109.db2.gz XNUKRIZNZYVONO-YPMHNXCESA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000351855825 219228886 /nfs/dbraw/zinc/22/88/86/219228886.db2.gz UANYRTXTSOGWMP-GHMZBOCLSA-N 2 0 263.407 -0.063 20 0 CBADRP C[C@@](C[NH3+])(NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000573803066 334967087 /nfs/dbraw/zinc/96/70/87/334967087.db2.gz DOUHDLFOLVKWKZ-GWCFXTLKSA-N 2 0 268.361 -0.902 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000128918560 187399030 /nfs/dbraw/zinc/39/90/30/187399030.db2.gz PKFBETZLMUGCBG-GFCCVEGCSA-N 2 0 255.362 -0.083 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339632957 215282162 /nfs/dbraw/zinc/28/21/62/215282162.db2.gz APGLIQRFEHWIGC-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)NCCC[NH+]1CCCC1 ZINC000091299340 180126062 /nfs/dbraw/zinc/12/60/62/180126062.db2.gz HKPQSXWXZIRGKW-GFCCVEGCSA-N 2 0 255.362 -0.033 20 0 CBADRP C[NH+](C)[C@H]1CCCN(CCC(=O)N2CC[NH2+]CC2)C1 ZINC000091393954 180145831 /nfs/dbraw/zinc/14/58/31/180145831.db2.gz XKHNAUWUUKDNPJ-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP C[NH2+]CCCC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668824 180224779 /nfs/dbraw/zinc/22/47/79/180224779.db2.gz STQPLQXNOYTTFU-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP CCCNC(=O)NC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575288 186179927 /nfs/dbraw/zinc/17/99/27/186179927.db2.gz KANAALIECDICTC-AOOOYVTPSA-N 2 0 254.334 -0.627 20 0 CBADRP C[C@H]([NH3+])C1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000110649296 186310129 /nfs/dbraw/zinc/31/01/29/186310129.db2.gz VDUPCLJNFMJJKS-VIFPVBQESA-N 2 0 254.334 -0.403 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000036999126 351395449 /nfs/dbraw/zinc/39/54/49/351395449.db2.gz GKSVFZVTUAHXEK-GRYCIOLGSA-N 2 0 255.362 -0.300 20 0 CBADRP CC(C)[NH+](CCNC(=O)CNC(=O)C[NH3+])C(C)C ZINC000037622762 351399965 /nfs/dbraw/zinc/39/99/65/351399965.db2.gz HSCRDQLLYIAPMD-UHFFFAOYSA-N 2 0 258.366 -0.704 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000037760022 351403110 /nfs/dbraw/zinc/40/31/10/351403110.db2.gz ACUBATYKHIFXKH-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP [NH3+]CC1CC[NH+](CC(=O)NC[C@H]2CCCO2)CC1 ZINC000044513715 351444571 /nfs/dbraw/zinc/44/45/71/351444571.db2.gz ZDXMUOZPANLILP-GFCCVEGCSA-N 2 0 255.362 -0.048 20 0 CBADRP CC1CC[NH+](CCCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000040833008 351419113 /nfs/dbraw/zinc/41/91/13/351419113.db2.gz SBMIDZYWNMXRBL-QWHCGFSZSA-N 2 0 269.389 -0.053 20 0 CBADRP CC1CC[NH+](CCCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000040833007 351419605 /nfs/dbraw/zinc/41/96/05/351419605.db2.gz SBMIDZYWNMXRBL-STQMWFEESA-N 2 0 269.389 -0.053 20 0 CBADRP CC1CC[NH+](CCCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000040833010 351420937 /nfs/dbraw/zinc/42/09/37/351420937.db2.gz SBMIDZYWNMXRBL-CHWSQXEVSA-N 2 0 269.389 -0.053 20 0 CBADRP CC(C)NC(=O)C[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298956 351526254 /nfs/dbraw/zinc/52/62/54/351526254.db2.gz LRRJYURAFPZMCT-UHFFFAOYSA-N 2 0 270.377 -0.735 20 0 CBADRP CC(C)[C@H](CNC(=O)[C@@H](C)C[NH3+])[NH+]1CCN(C)CC1 ZINC000054343511 351534800 /nfs/dbraw/zinc/53/48/00/351534800.db2.gz BHKSPPHDOARNDU-STQMWFEESA-N 2 0 270.421 -0.031 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000062972611 351578311 /nfs/dbraw/zinc/57/83/11/351578311.db2.gz HUVIPTMRUUWJEB-VXGBXAGGSA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH2+]CC1CC[NH+](CC(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000063165895 351579028 /nfs/dbraw/zinc/57/90/28/351579028.db2.gz CLMXWRCARCTQGN-UHFFFAOYSA-N 2 0 296.415 -0.392 20 0 CBADRP Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cn1 ZINC000063178725 351580321 /nfs/dbraw/zinc/58/03/21/351580321.db2.gz CKWFPKDBUZVZQH-GFCCVEGCSA-N 2 0 265.361 -0.293 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000070174114 351635290 /nfs/dbraw/zinc/63/52/90/351635290.db2.gz SOPGWWSJIQKLCN-NXEZZACHSA-N 2 0 254.334 -0.403 20 0 CBADRP [NH3+]CC[C@@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000070170987 351635547 /nfs/dbraw/zinc/63/55/47/351635547.db2.gz SXPNOGVGBVAMGH-JTQLQIEISA-N 2 0 254.334 -0.401 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000070188589 351636563 /nfs/dbraw/zinc/63/65/63/351636563.db2.gz HRGIGNZSMWLJLY-VIFPVBQESA-N 2 0 256.350 -0.109 20 0 CBADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(C)(=O)=O ZINC000070263043 351637853 /nfs/dbraw/zinc/63/78/53/351637853.db2.gz YIUBRTDAFLXNIK-UHFFFAOYSA-N 2 0 263.407 -0.096 20 0 CBADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000068807723 351621536 /nfs/dbraw/zinc/62/15/36/351621536.db2.gz ZISLPHYSBAHTAN-VXGBXAGGSA-N 2 0 256.394 -0.134 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)CC[NH2+]C1CC1 ZINC000068807528 351622123 /nfs/dbraw/zinc/62/21/23/351622123.db2.gz WQDYSXUFEVUGMA-GFCCVEGCSA-N 2 0 254.378 -0.510 20 0 CBADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000068807499 351622345 /nfs/dbraw/zinc/62/23/45/351622345.db2.gz TUTQCKZGCZAJKM-AAEUAGOBSA-N 2 0 256.394 -0.134 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000068807913 351623973 /nfs/dbraw/zinc/62/39/73/351623973.db2.gz FAOXJPHZWKMHLV-NWDGAFQWSA-N 2 0 254.378 -0.510 20 0 CBADRP CC(=O)NCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000077752524 351682877 /nfs/dbraw/zinc/68/28/77/351682877.db2.gz RDTFGLQLIVYHKK-UHFFFAOYSA-N 2 0 287.408 -0.743 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC(C)(C)[NH+](C)C)CC1=O ZINC000081229985 351702571 /nfs/dbraw/zinc/70/25/71/351702571.db2.gz OAVSQHJNAVUASE-LBPRGKRZSA-N 2 0 298.431 -0.147 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NCC(C)(C)[NH+](C)C)CC1=O ZINC000081229984 351703234 /nfs/dbraw/zinc/70/32/34/351703234.db2.gz OAVSQHJNAVUASE-GFCCVEGCSA-N 2 0 298.431 -0.147 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000102788565 351785310 /nfs/dbraw/zinc/78/53/10/351785310.db2.gz SBFKYRZJHAISRZ-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP CCN(CC)S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000104102811 351788334 /nfs/dbraw/zinc/78/83/34/351788334.db2.gz XWHQGUOGUPPCSZ-UHFFFAOYSA-N 2 0 294.465 -0.002 20 0 CBADRP COCC[N@H+](C)CCNC(=O)COC1CC[NH2+]CC1 ZINC000104382617 351790940 /nfs/dbraw/zinc/79/09/40/351790940.db2.gz LWLRSGFPVCRCHM-UHFFFAOYSA-N 2 0 273.377 -0.551 20 0 CBADRP Cn1cc(C[N@H+](C)CC2CC[NH+](C)CC2)c(=O)n(C)c1=O ZINC000093089215 351755489 /nfs/dbraw/zinc/75/54/89/351755489.db2.gz SIOQBMMKRUEDMJ-UHFFFAOYSA-N 2 0 294.399 -0.142 20 0 CBADRP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000111612156 351803484 /nfs/dbraw/zinc/80/34/84/351803484.db2.gz OCPTYGFZKSDLCV-DTWKUNHWSA-N 2 0 256.350 -0.110 20 0 CBADRP CC[C@@]1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC[NH2+]C1 ZINC000119223598 351832089 /nfs/dbraw/zinc/83/20/89/351832089.db2.gz LEYXJXUNXXQBQJ-SWLSCSKDSA-N 2 0 296.415 -0.310 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000114478254 351816869 /nfs/dbraw/zinc/81/68/69/351816869.db2.gz AYQFGIGHVYXNGD-LBPRGKRZSA-N 2 0 285.388 -0.109 20 0 CBADRP CC[NH+]1CCC(CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000126276675 351859033 /nfs/dbraw/zinc/85/90/33/351859033.db2.gz TVLJEBPQKLCRGE-AWEZNQCLSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000126486144 351860649 /nfs/dbraw/zinc/86/06/49/351860649.db2.gz HUMBXNOPDKGEKF-QWHCGFSZSA-N 2 0 268.405 -0.262 20 0 CBADRP C[NH2+]CCCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000121338245 351847353 /nfs/dbraw/zinc/84/73/53/351847353.db2.gz IXXUGDSYGFAKOC-NSHDSACASA-N 2 0 270.377 -0.878 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000129156749 351868411 /nfs/dbraw/zinc/86/84/11/351868411.db2.gz NQXSVKFKPMTYTN-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP COCC[N@H+](C)CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000129206776 351868489 /nfs/dbraw/zinc/86/84/89/351868489.db2.gz STDHAEKCAIFRNU-NSHDSACASA-N 2 0 259.350 -0.941 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000152424749 351938825 /nfs/dbraw/zinc/93/88/25/351938825.db2.gz VHUQVONLZHNYSH-ZDUSSCGKSA-N 2 0 265.357 -0.091 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)NCC[C@@H]1CCC[NH2+]C1 ZINC000152755681 351940032 /nfs/dbraw/zinc/94/00/32/351940032.db2.gz VJOIJVLVHIQBEQ-RYUDHWBXSA-N 2 0 255.362 -0.129 20 0 CBADRP CC[NH2+]CC1CC[NH+](CC(=O)NC(=O)NC)CC1 ZINC000131585842 351887914 /nfs/dbraw/zinc/88/79/14/351887914.db2.gz GEXPPXSAODWYDX-UHFFFAOYSA-N 2 0 256.350 -0.237 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1C[NH2+]CCO1 ZINC000132906902 351896279 /nfs/dbraw/zinc/89/62/79/351896279.db2.gz YETBHOUKOSETNZ-TUAOUCFPSA-N 2 0 253.346 -0.282 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1C[NH2+]CCO1 ZINC000132906512 351896392 /nfs/dbraw/zinc/89/63/92/351896392.db2.gz YETBHOUKOSETNZ-UTUOFQBUSA-N 2 0 253.346 -0.282 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+](C)C ZINC000133652242 351900574 /nfs/dbraw/zinc/90/05/74/351900574.db2.gz WEZFSQUQLSMZCA-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)NCC[NH+](C)C)CC1 ZINC000133718136 351901265 /nfs/dbraw/zinc/90/12/65/351901265.db2.gz PKGYSHNPDQACTB-UHFFFAOYSA-N 2 0 285.436 -0.125 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NC1CC[NH+](C)CC1 ZINC000171190645 352009110 /nfs/dbraw/zinc/00/91/10/352009110.db2.gz RGCYXLFXWKSEDQ-UHFFFAOYSA-N 2 0 272.393 -0.042 20 0 CBADRP O[C@@H]1CCCN(CC2(C[N@@H+]3CCC[C@H](O)C3)COC2)C1 ZINC000157341402 351954769 /nfs/dbraw/zinc/95/47/69/351954769.db2.gz CHCCGFJBGNHXKM-OKILXGFUSA-N 2 0 284.400 -0.084 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000157780561 351957924 /nfs/dbraw/zinc/95/79/24/351957924.db2.gz XLLBQCFHNUCMPU-OLZOCXBDSA-N 2 0 266.389 -0.365 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159323312 351962071 /nfs/dbraw/zinc/96/20/71/351962071.db2.gz YGWLLMZWXNGNIH-GRYCIOLGSA-N 2 0 253.346 -0.282 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)CNC(=O)C[NH3+])CC[C@@H]21 ZINC000167512120 351989464 /nfs/dbraw/zinc/98/94/64/351989464.db2.gz VKFILYGJCIHBHI-QWRGUYRKSA-N 2 0 268.361 -0.996 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000167264955 351989664 /nfs/dbraw/zinc/98/96/64/351989664.db2.gz ZCCJVVVUUPICBV-LBPRGKRZSA-N 2 0 273.377 -0.551 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000167407240 351989753 /nfs/dbraw/zinc/98/97/53/351989753.db2.gz FNQMGDULQFYYID-CYBMUJFWSA-N 2 0 296.415 -0.392 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000167411170 351989796 /nfs/dbraw/zinc/98/97/96/351989796.db2.gz PBMDIXFAKDDXIE-CYBMUJFWSA-N 2 0 296.415 -0.392 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000178659844 352080972 /nfs/dbraw/zinc/08/09/72/352080972.db2.gz DRELXOSFDMPCSO-QWRGUYRKSA-N 2 0 270.377 -0.750 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000178881663 352084245 /nfs/dbraw/zinc/08/42/45/352084245.db2.gz YRLLPXRHYNUMLT-CHWSQXEVSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000178880567 352085081 /nfs/dbraw/zinc/08/50/81/352085081.db2.gz FZKYIGFZKNFXOR-QWHCGFSZSA-N 2 0 268.405 -0.262 20 0 CBADRP CS(=O)(=O)N[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178974188 352086818 /nfs/dbraw/zinc/08/68/18/352086818.db2.gz JVMDNDDAGJQVBR-LLVKDONJSA-N 2 0 261.391 -0.391 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180199912 352093965 /nfs/dbraw/zinc/09/39/65/352093965.db2.gz HCLJBVSWIHWVTD-AWEZNQCLSA-N 2 0 273.421 -0.049 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000188726682 352157141 /nfs/dbraw/zinc/15/71/41/352157141.db2.gz CMGWDQQLDYBBHZ-SECBINFHSA-N 2 0 263.345 -0.263 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000189263004 352166162 /nfs/dbraw/zinc/16/61/62/352166162.db2.gz LCHROJYEZSLICL-SDDRHHMPSA-N 2 0 271.361 -0.848 20 0 CBADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H](OC)C[NH2+]2)C1 ZINC000187930775 352144099 /nfs/dbraw/zinc/14/40/99/352144099.db2.gz LJGXLBSNMDPSIP-SDDRHHMPSA-N 2 0 255.362 -0.036 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188092151 352147036 /nfs/dbraw/zinc/14/70/36/352147036.db2.gz STIBYKFUQYAUFD-LLVKDONJSA-N 2 0 259.350 -0.941 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000192109270 352196708 /nfs/dbraw/zinc/19/67/08/352196708.db2.gz KECHHPURGIUMHY-QWHCGFSZSA-N 2 0 296.415 -0.264 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188215804 352149714 /nfs/dbraw/zinc/14/97/14/352149714.db2.gz XXQHLJJAVDTPTG-GRYCIOLGSA-N 2 0 255.362 -0.036 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C[NH2+]CC1CC1 ZINC000193707074 352208499 /nfs/dbraw/zinc/20/84/99/352208499.db2.gz ZWCQOFFSUZHDCU-CYBMUJFWSA-N 2 0 296.415 -0.168 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000193669060 352208602 /nfs/dbraw/zinc/20/86/02/352208602.db2.gz RWJMLHAOIKMSRJ-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP CCNC(=O)CC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519270 352227680 /nfs/dbraw/zinc/22/76/80/352227680.db2.gz NSKPMHBXLYSTDK-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000227343872 352256674 /nfs/dbraw/zinc/25/66/74/352256674.db2.gz RQWIZHPXMBVTAE-QWHCGFSZSA-N 2 0 294.399 -0.639 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000230711769 352274368 /nfs/dbraw/zinc/27/43/68/352274368.db2.gz OKGNEABRAJOCED-ZDUSSCGKSA-N 2 0 286.420 -0.114 20 0 CBADRP NC(=O)C[C@H](N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000224967183 352246100 /nfs/dbraw/zinc/24/61/00/352246100.db2.gz YITWCIJNTTYLMD-OLZOCXBDSA-N 2 0 290.367 -0.420 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000232114758 352278972 /nfs/dbraw/zinc/27/89/72/352278972.db2.gz LPMWBSBNJMJRHV-PWSUYJOCSA-N 2 0 255.362 -0.049 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)C[C@H](C[NH3+])OC)CC1 ZINC000232117033 352279474 /nfs/dbraw/zinc/27/94/74/352279474.db2.gz KPWKGRQBDVJONE-GFCCVEGCSA-N 2 0 273.377 -0.469 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000232116438 352279673 /nfs/dbraw/zinc/27/96/73/352279673.db2.gz HCPJTIKGVQNVAC-LBPRGKRZSA-N 2 0 255.362 -0.096 20 0 CBADRP O=C(CC[NH+]1CCC(CO)CC1)N1CC[NH2+]CC1 ZINC000236473537 352289268 /nfs/dbraw/zinc/28/92/68/352289268.db2.gz GQHZBEMRSINYHO-UHFFFAOYSA-N 2 0 255.362 -0.487 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000236873340 352294755 /nfs/dbraw/zinc/29/47/55/352294755.db2.gz VDUWZAITXTUFIP-RYUDHWBXSA-N 2 0 255.362 -0.225 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C)C[NH2+]C)CC1 ZINC000236845496 352294971 /nfs/dbraw/zinc/29/49/71/352294971.db2.gz NPCUFSDXIUPLCW-OLZOCXBDSA-N 2 0 270.421 -0.016 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000236888649 352295788 /nfs/dbraw/zinc/29/57/88/352295788.db2.gz XWZFWESQSYKJJZ-STQMWFEESA-N 2 0 268.405 -0.262 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000236891505 352296404 /nfs/dbraw/zinc/29/64/04/352296404.db2.gz XWZFWESQSYKJJZ-OLZOCXBDSA-N 2 0 268.405 -0.262 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[NH2+]C1CC1 ZINC000237017785 352297785 /nfs/dbraw/zinc/29/77/85/352297785.db2.gz GLBJSIGZHIMQGZ-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@](C)(C[NH3+])C2CC2)CC1=O ZINC000237161100 352300461 /nfs/dbraw/zinc/30/04/61/352300461.db2.gz GMLUSGLJPFQQAQ-NHYWBVRUSA-N 2 0 296.415 -0.360 20 0 CBADRP CN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C1CC[NH2+]CC1 ZINC000237159742 352300580 /nfs/dbraw/zinc/30/05/80/352300580.db2.gz KBOIYNRJYBPJLD-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH2+]CC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000237245082 352302668 /nfs/dbraw/zinc/30/26/68/352302668.db2.gz WPTBAKKRKBHHAD-UHFFFAOYSA-N 2 0 277.372 -0.331 20 0 CBADRP C[C@H](CNC(=O)C[NH2+]C1CC1)C[NH+]1CCN(C)CC1 ZINC000237405328 352304116 /nfs/dbraw/zinc/30/41/16/352304116.db2.gz SJLQPBFPJTYSKD-GFCCVEGCSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@@]1(C(=O)NCCN2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000237496001 352306375 /nfs/dbraw/zinc/30/63/75/352306375.db2.gz VOFMUTXMCOWEMI-CYBMUJFWSA-N 2 0 254.378 -0.603 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000237463880 352306441 /nfs/dbraw/zinc/30/64/41/352306441.db2.gz OSUSZTKHKGJZNH-CHWSQXEVSA-N 2 0 268.405 -0.262 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@@H]1CCC[NH2+]C1 ZINC000237901024 352311137 /nfs/dbraw/zinc/31/11/37/352311137.db2.gz SCRNYTZTCGTJQJ-NEPJUHHUSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)NC[C@@H]1CCC[NH2+]C1 ZINC000237931103 352311682 /nfs/dbraw/zinc/31/16/82/352311682.db2.gz SCRNYTZTCGTJQJ-VXGBXAGGSA-N 2 0 255.362 -0.129 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000237967681 352311852 /nfs/dbraw/zinc/31/18/52/352311852.db2.gz HEMQJZKYBKMJSW-CHWSQXEVSA-N 2 0 268.405 -0.085 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1COCCN1 ZINC000245434726 352320549 /nfs/dbraw/zinc/32/05/49/352320549.db2.gz PZZCNPUXBGIBIA-VXGBXAGGSA-N 2 0 255.362 -0.083 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)NCCCN1CC[NH2+]CC1 ZINC000238086259 352314030 /nfs/dbraw/zinc/31/40/30/352314030.db2.gz SBOPAEFWXPUPIA-LBPRGKRZSA-N 2 0 286.445 -0.507 20 0 CBADRP C[C@]1(O)CC[NH+](CCOCC[N@H+]2CC[C@](C)(O)C2)C1 ZINC000246955274 352341602 /nfs/dbraw/zinc/34/16/02/352341602.db2.gz IGJZRMHGFXKEHZ-KBPBESRZSA-N 2 0 272.389 -0.084 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)C1CC1 ZINC000261907956 352399502 /nfs/dbraw/zinc/39/95/02/352399502.db2.gz XHABVEOFPYCSDZ-UTUOFQBUSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000261889880 352399648 /nfs/dbraw/zinc/39/96/48/352399648.db2.gz VFIPRVQYAMSXDE-JHJVBQTASA-N 2 0 296.415 -0.408 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000250362289 352371868 /nfs/dbraw/zinc/37/18/68/352371868.db2.gz UFGKYXCJHXBKBX-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250397624 352371917 /nfs/dbraw/zinc/37/19/17/352371917.db2.gz RNJUPAQNRBZZNL-NWDGAFQWSA-N 2 0 282.388 -0.687 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000250615007 352373080 /nfs/dbraw/zinc/37/30/80/352373080.db2.gz NQXSVKFKPMTYTN-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000252408122 352376325 /nfs/dbraw/zinc/37/63/25/352376325.db2.gz IKENJHYZPILXDX-DDHJBXDOSA-N 2 0 253.346 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/nfs/dbraw/zinc/41/42/38/352414238.db2.gz BPPYSIXKNCJLJQ-NSHDSACASA-N 2 0 281.360 -0.238 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)C[C@@H]1C ZINC000262338449 352417485 /nfs/dbraw/zinc/41/74/85/352417485.db2.gz HPXVUYOPFMJLFH-RWMBFGLXSA-N 2 0 285.388 -0.722 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)CNC(=O)C[NH3+])C1CCCCC1 ZINC000262372901 352419197 /nfs/dbraw/zinc/41/91/97/352419197.db2.gz IXDOXXYHRXPRJR-GFCCVEGCSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262367256 352419349 /nfs/dbraw/zinc/41/93/49/352419349.db2.gz JNGOSWBUICJCFQ-VOAKCMCISA-N 2 0 269.389 -0.054 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262425677 352421422 /nfs/dbraw/zinc/42/14/22/352421422.db2.gz SHQFBTISJWETPR-ZJQBRPOHSA-N 2 0 267.373 -0.537 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)[NH+]1CCC(C)CC1 ZINC000262444467 352421563 /nfs/dbraw/zinc/42/15/63/352421563.db2.gz TXVJUBHOHHBLEM-AGIUHOORSA-N 2 0 269.389 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/nfs/dbraw/zinc/42/42/03/352424203.db2.gz PYUHRPCJSCFOCJ-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000262513932 352424211 /nfs/dbraw/zinc/42/42/11/352424211.db2.gz MPFABAJCRQHCAK-FDYHWXHSSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000262513939 352424657 /nfs/dbraw/zinc/42/46/57/352424657.db2.gz MPFABAJCRQHCAK-FVCCEPFGSA-N 2 0 269.389 -0.054 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NC(C)(C)C[NH3+])CC1 ZINC000262538218 352425653 /nfs/dbraw/zinc/42/56/53/352425653.db2.gz CWDJOLQFVOUOAL-UHFFFAOYSA-N 2 0 256.394 -0.133 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000262721003 352431448 /nfs/dbraw/zinc/43/14/48/352431448.db2.gz FQVGFYXRBQRQKB-JHJVBQTASA-N 2 0 296.415 -0.489 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NCCN1CCOC(C)(C)C1 ZINC000262794904 352434321 /nfs/dbraw/zinc/43/43/21/352434321.db2.gz PCKNXAPQGJQGNR-LLVKDONJSA-N 2 0 273.377 -0.423 20 0 CBADRP O=C(CC[N@@H+]1CCC[C@@H]1C(=O)NC1CC1)N1CC[NH2+]CC1 ZINC000262016107 352403582 /nfs/dbraw/zinc/40/35/82/352403582.db2.gz FUHQRTOPZAHUCG-CYBMUJFWSA-N 2 0 294.399 -0.449 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000262079780 352405999 /nfs/dbraw/zinc/40/59/99/352405999.db2.gz KOPFUDPNMUUEIY-UMNHJUIQSA-N 2 0 270.377 -0.705 20 0 CBADRP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](O)C2)CC1 ZINC000304092058 352745282 /nfs/dbraw/zinc/74/52/82/352745282.db2.gz CFJKCHDYTBYUBM-NEPJUHHUSA-N 2 0 255.362 -0.394 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)Cn1cc([C@@H]([NH3+])C(C)C)nn1 ZINC000312676944 352776075 /nfs/dbraw/zinc/77/60/75/352776075.db2.gz CJAMOGOUJJZOJR-YPMHNXCESA-N 2 0 285.392 -0.127 20 0 CBADRP C[C@@H]([NH3+])C1CC[NH+](CCS(=O)(=O)N(C)C)CC1 ZINC000310156331 352757951 /nfs/dbraw/zinc/75/79/51/352757951.db2.gz OPXLTLCZSAWYTF-SNVBAGLBSA-N 2 0 263.407 -0.063 20 0 CBADRP COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000310875487 352763042 /nfs/dbraw/zinc/76/30/42/352763042.db2.gz MRQJOSVDOBMDFE-CHWSQXEVSA-N 2 0 260.378 -0.228 20 0 CBADRP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000311092252 352765757 /nfs/dbraw/zinc/76/57/57/352765757.db2.gz ZBMYWWOQDARPIF-TUAOUCFPSA-N 2 0 257.378 -0.115 20 0 CBADRP C[N@H+](CCOCC[NH3+])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000311671003 352769513 /nfs/dbraw/zinc/76/95/13/352769513.db2.gz ARJUXYOHHXGTAT-GFCCVEGCSA-N 2 0 293.433 -0.435 20 0 CBADRP C[NH+](C)C[C@H]1CCCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000312027705 352773047 /nfs/dbraw/zinc/77/30/47/352773047.db2.gz WSZBKRHEODPCPK-NEPJUHHUSA-N 2 0 291.417 -0.669 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000331403065 352912864 /nfs/dbraw/zinc/91/28/64/352912864.db2.gz DNUGPNFIYZOMEB-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332038182 352930218 /nfs/dbraw/zinc/93/02/18/352930218.db2.gz LACNOTOGEROKMO-AVGNSLFASA-N 2 0 294.399 -0.450 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000332065156 352933396 /nfs/dbraw/zinc/93/33/96/352933396.db2.gz RHXGJTLHZQTEBS-FRRDWIJNSA-N 2 0 294.399 -0.321 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C[C@@H]1[NH3+] ZINC000332218788 352940601 /nfs/dbraw/zinc/94/06/01/352940601.db2.gz IOHPBSNGTREBFQ-WOPDTQHZSA-N 2 0 280.372 -0.901 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000332305957 352943170 /nfs/dbraw/zinc/94/31/70/352943170.db2.gz IAFNSXWOTRYVNQ-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)[C@@H](C)C[NH2+]1 ZINC000333481154 353001524 /nfs/dbraw/zinc/00/15/24/353001524.db2.gz CCRSSUPSXVWPIA-WOPDTQHZSA-N 2 0 270.377 -0.243 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(CCO)C[C@@H]1C ZINC000333764669 353009784 /nfs/dbraw/zinc/00/97/84/353009784.db2.gz BBMWBYGZYSUPCO-FRRDWIJNSA-N 2 0 284.404 -0.308 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000333782545 353010849 /nfs/dbraw/zinc/01/08/49/353010849.db2.gz DXUWFWVIOGTFGS-AWEZNQCLSA-N 2 0 295.431 -0.229 20 0 CBADRP C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@H]1CCC[NH2+]C1 ZINC000336817823 353058722 /nfs/dbraw/zinc/05/87/22/353058722.db2.gz RZOSUYZTYDKDAD-UONOGXRCSA-N 2 0 271.405 -0.389 20 0 CBADRP C[N@H+](C[C@H](O)CN1CCOCC1)C[C@@H]1CCC[NH2+]C1 ZINC000336817822 353059064 /nfs/dbraw/zinc/05/90/64/353059064.db2.gz RZOSUYZTYDKDAD-KGLIPLIRSA-N 2 0 271.405 -0.389 20 0 CBADRP C[N@H+](C[C@H](O)CN1CCOCC1)C[C@H]1CCC[NH2+]C1 ZINC000336817821 353059229 /nfs/dbraw/zinc/05/92/29/353059229.db2.gz RZOSUYZTYDKDAD-KBPBESRZSA-N 2 0 271.405 -0.389 20 0 CBADRP C[N@H+](C[C@@H](O)CN1CCOCC1)CC1CC[NH2+]CC1 ZINC000336819109 353060356 /nfs/dbraw/zinc/06/03/56/353060356.db2.gz YGVYXMWBXADJRX-CQSZACIVSA-N 2 0 271.405 -0.389 20 0 CBADRP CC[C@@H](CO)[NH+]1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000336841976 353062791 /nfs/dbraw/zinc/06/27/91/353062791.db2.gz SYIPRLGMPPIRHZ-DZGCQCFKSA-N 2 0 285.432 -0.170 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)C1([NH3+])CCOCC1 ZINC000338137447 353086286 /nfs/dbraw/zinc/08/62/86/353086286.db2.gz BHGPVTISSROBKQ-LBPRGKRZSA-N 2 0 287.404 -0.033 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000340183842 353154961 /nfs/dbraw/zinc/15/49/61/353154961.db2.gz HVNHOCMNVVUGSV-GFCCVEGCSA-N 2 0 256.394 -0.180 20 0 CBADRP C[C@@H]([NH3+])CC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000340176965 353155093 /nfs/dbraw/zinc/15/50/93/353155093.db2.gz KDKNDPAKMNIBRX-NXEZZACHSA-N 2 0 256.350 -0.820 20 0 CBADRP C[C@@H]([NH3+])CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000340185804 353155901 /nfs/dbraw/zinc/15/59/01/353155901.db2.gz PFWVVTDJLOILBX-MNOVXSKESA-N 2 0 270.377 -0.573 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)C[NH+]1CCCC1 ZINC000340763903 353185000 /nfs/dbraw/zinc/18/50/00/353185000.db2.gz BACYFOFPODHGOQ-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@@H]1C[C@H](O)C[NH+]1CCOCC[N@H+]1C[C@H](O)C[C@@H]1C ZINC000340922071 353193283 /nfs/dbraw/zinc/19/32/83/353193283.db2.gz XTDUTYLWJXQJEV-LVEBTZEWSA-N 2 0 272.389 -0.087 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC000342766319 353231981 /nfs/dbraw/zinc/23/19/81/353231981.db2.gz UKUMGJHJLFGOJI-JTQLQIEISA-N 2 0 259.350 -0.277 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2CC[NH2+]C2)CC1=O ZINC000342699729 353228086 /nfs/dbraw/zinc/22/80/86/353228086.db2.gz AOJBLRXJZWYOAD-VXGBXAGGSA-N 2 0 282.388 -0.878 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000342700601 353228121 /nfs/dbraw/zinc/22/81/21/353228121.db2.gz XQHZSWFHXZEHTQ-LLVKDONJSA-N 2 0 271.361 -0.131 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000342712390 353228884 /nfs/dbraw/zinc/22/88/84/353228884.db2.gz RMGZCUDXKZUYQT-GXSJLCMTSA-N 2 0 271.361 -0.134 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000342753072 353231213 /nfs/dbraw/zinc/23/12/13/353231213.db2.gz PBGMFXZGLAUFOG-VHSXEESVSA-N 2 0 257.334 -0.523 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000343216972 353260112 /nfs/dbraw/zinc/26/01/12/353260112.db2.gz KPMNBUIQJURYCY-KBPBESRZSA-N 2 0 280.416 -0.166 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000343603206 353280880 /nfs/dbraw/zinc/28/08/80/353280880.db2.gz RPDJCCDOHJZWDM-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000419999776 295860359 /nfs/dbraw/zinc/86/03/59/295860359.db2.gz SMAZCOWJZLKNNU-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]1C[N@H+](CCOCCO)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343919654 353298661 /nfs/dbraw/zinc/29/86/61/353298661.db2.gz GYMFJOBZTQPKJL-LSDHHAIUSA-N 2 0 285.432 -0.047 20 0 CBADRP CC[C@H]1CN(C(=O)CCOC2C[NH2+]C2)CC[N@@H+]1C[C@H](C)O ZINC000349008836 353444618 /nfs/dbraw/zinc/44/46/18/353444618.db2.gz WTOQIFOCFNMWGY-STQMWFEESA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000349639114 353458099 /nfs/dbraw/zinc/45/80/99/353458099.db2.gz RCULNOIPPWFGIN-STQMWFEESA-N 2 0 285.436 -0.128 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351560841 353475635 /nfs/dbraw/zinc/47/56/35/353475635.db2.gz XIHMATZYRWXMAC-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP C[N@H+](CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000351556125 353475868 /nfs/dbraw/zinc/47/58/68/353475868.db2.gz NLHFCDPTHQZWSQ-NSHDSACASA-N 2 0 268.361 -0.935 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354665138 353576007 /nfs/dbraw/zinc/57/60/07/353576007.db2.gz DZOPFNANVODZPU-RYUDHWBXSA-N 2 0 284.404 -0.266 20 0 CBADRP CCCN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000354680944 353577772 /nfs/dbraw/zinc/57/77/72/353577772.db2.gz ZGOSNJNONVOSEG-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000354706262 353579535 /nfs/dbraw/zinc/57/95/35/353579535.db2.gz KGEBKWNJQLYTEF-STQMWFEESA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000354709740 353579651 /nfs/dbraw/zinc/57/96/51/353579651.db2.gz KDDFOZVJNLYRRZ-FRRDWIJNSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+]1CCC(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000354721127 353580531 /nfs/dbraw/zinc/58/05/31/353580531.db2.gz VWYPUZZDASRAQS-LBPRGKRZSA-N 2 0 282.388 -0.545 20 0 CBADRP Cn1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(=O)n(C)c1=O ZINC000357110591 353601517 /nfs/dbraw/zinc/60/15/17/353601517.db2.gz ZVPACDWUJROFBP-WDEREUQCSA-N 2 0 278.356 -0.875 20 0 CBADRP NC(=O)c1ccc(N2CC[NH+](CCOCC[NH3+])CC2)cc1 ZINC000357082370 353601853 /nfs/dbraw/zinc/60/18/53/353601853.db2.gz OAZVMBHCNARDMJ-UHFFFAOYSA-N 2 0 292.383 -0.117 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)C2C[NH2+]C2)C1 ZINC000357085559 353601943 /nfs/dbraw/zinc/60/19/43/353601943.db2.gz KXQQHUBAQXEZIK-AWEZNQCLSA-N 2 0 298.431 -0.637 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000357301596 353602755 /nfs/dbraw/zinc/60/27/55/353602755.db2.gz FEPJYHOUDJZYOY-PZWNZHSQSA-N 2 0 255.362 -0.005 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000359225865 353652653 /nfs/dbraw/zinc/65/26/53/353652653.db2.gz UEQXFGXTAVUDLE-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[N@H+](CC(=O)NC[C@]1(O)CC[NH+](C)C1)C1CC1 ZINC000358058824 353623246 /nfs/dbraw/zinc/62/32/46/353623246.db2.gz RABRVXIYHLWWIQ-CYBMUJFWSA-N 2 0 255.362 -0.347 20 0 CBADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000357903375 353613022 /nfs/dbraw/zinc/61/30/22/353613022.db2.gz GGZBDJHIAUFOTE-UONOGXRCSA-N 2 0 299.415 -0.285 20 0 CBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC000357939369 353615858 /nfs/dbraw/zinc/61/58/58/353615858.db2.gz ZIYYYVWMOKTMAR-AVGNSLFASA-N 2 0 269.389 -0.101 20 0 CBADRP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CNC(=O)C[NH3+] ZINC000360222660 353657068 /nfs/dbraw/zinc/65/70/68/353657068.db2.gz NANAFWODRQWLME-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP O=C1CNCCN1[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000362677003 353667581 /nfs/dbraw/zinc/66/75/81/353667581.db2.gz WPOMUVAIULHBJR-ZIAGYGMSSA-N 2 0 280.416 -0.118 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)C1 ZINC000365091153 353672549 /nfs/dbraw/zinc/67/25/49/353672549.db2.gz MQJZNYXTXPBOES-USZNOCQGSA-N 2 0 287.429 -0.133 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[N@@H+]1C1CC1 ZINC000365103054 353672718 /nfs/dbraw/zinc/67/27/18/353672718.db2.gz AKAPOVFZMYPARN-CNVPUSNMSA-N 2 0 253.346 -0.549 20 0 CBADRP O[C@@H]1C[NH+](CCOCC[N@H+]2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000368793614 353687235 /nfs/dbraw/zinc/68/72/35/353687235.db2.gz YHRWRJYJANWEPP-ZIAGYGMSSA-N 2 0 296.411 -0.084 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1CCc2nccn2C1 ZINC000373570712 353733159 /nfs/dbraw/zinc/73/31/59/353733159.db2.gz XIMYVYKIVGALCA-RISCZKNCSA-N 2 0 280.372 -0.126 20 0 CBADRP O=C([C@@H]1CC[NH2+]C1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372099711 353710749 /nfs/dbraw/zinc/71/07/49/353710749.db2.gz XVPYIYNXXKBFJZ-AGIUHOORSA-N 2 0 267.373 -0.347 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@]23CC[NH2+]C3)C1 ZINC000372505867 353717984 /nfs/dbraw/zinc/71/79/84/353717984.db2.gz NEJOWYJTWXIPQL-SCRDCRAPSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@@H](NC(=O)[C@H]1C[C@H](O)C[NH2+]1)C(C)(C)C[NH+](C)C ZINC000372887845 353723435 /nfs/dbraw/zinc/72/34/35/353723435.db2.gz AESCEBCXMJQVGU-OUAUKWLOSA-N 2 0 257.378 -0.198 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1CCCCC[NH2+]1 ZINC000373527276 353732747 /nfs/dbraw/zinc/73/27/47/353732747.db2.gz CKDUQQCSIJPAMN-ZDUSSCGKSA-N 2 0 268.405 -0.070 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000375421992 353759828 /nfs/dbraw/zinc/75/98/28/353759828.db2.gz ONWOMTHCKRSOHP-GRYCIOLGSA-N 2 0 255.362 -0.537 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000375421993 353760298 /nfs/dbraw/zinc/76/02/98/353760298.db2.gz ONWOMTHCKRSOHP-IJLUTSLNSA-N 2 0 255.362 -0.537 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C[C@@H]3COCC[NH2+]3)C[C@@H]21 ZINC000375835556 353768091 /nfs/dbraw/zinc/76/80/91/353768091.db2.gz WLUWURDXUGMRRS-FVCCEPFGSA-N 2 0 267.373 -0.049 20 0 CBADRP C[NH2+]CCC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000375833621 353768354 /nfs/dbraw/zinc/76/83/54/353768354.db2.gz ISHJCJVSRRYOPN-NWDGAFQWSA-N 2 0 255.362 -0.347 20 0 CBADRP C[NH2+]CCC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000375833623 353768532 /nfs/dbraw/zinc/76/85/32/353768532.db2.gz ISHJCJVSRRYOPN-VXGBXAGGSA-N 2 0 255.362 -0.347 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000376062483 353771319 /nfs/dbraw/zinc/77/13/19/353771319.db2.gz SCAABZLDWJBCRG-XQQFMLRXSA-N 2 0 268.405 -0.134 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000378203247 353780091 /nfs/dbraw/zinc/78/00/91/353780091.db2.gz HTNNIGDGAPAWLK-STQMWFEESA-N 2 0 268.405 -0.038 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000373865377 353737698 /nfs/dbraw/zinc/73/76/98/353737698.db2.gz ZDAZYIUMQNSXGD-UKRRQHHQSA-N 2 0 280.416 -0.212 20 0 CBADRP CN(C)S(=O)(=O)CCN[C@H]1CC[NH2+]CC1(C)C ZINC000383129974 353784867 /nfs/dbraw/zinc/78/48/67/353784867.db2.gz RXBHSWGVBLXPCU-JTQLQIEISA-N 2 0 263.407 -0.145 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@H](C)[NH3+] ZINC000399553968 353797722 /nfs/dbraw/zinc/79/77/22/353797722.db2.gz DHOSCXWFYDIVCR-XQQFMLRXSA-N 2 0 270.421 -0.032 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](C)C(C)(C)C1 ZINC000388872645 353790372 /nfs/dbraw/zinc/79/03/72/353790372.db2.gz RLFBTDJQRODPCJ-ZDUSSCGKSA-N 2 0 273.421 -0.049 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000410475290 353929466 /nfs/dbraw/zinc/92/94/66/353929466.db2.gz MMQMMDMYNIAHFE-OLZOCXBDSA-N 2 0 296.415 -0.299 20 0 CBADRP CCNC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000411738564 353940193 /nfs/dbraw/zinc/94/01/93/353940193.db2.gz UKCRKXNAZUNAQE-UHFFFAOYSA-N 2 0 258.410 -0.062 20 0 CBADRP [NH3+]C[C@H](NC(=O)NCCNc1cc[nH+]cc1)C1CC1 ZINC000418400329 353996700 /nfs/dbraw/zinc/99/67/00/353996700.db2.gz MJFIGLBJDMWSCX-LBPRGKRZSA-N 2 0 263.345 -0.048 20 0 CBADRP CC[NH+](CC)CCNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000416805217 353973016 /nfs/dbraw/zinc/97/30/16/353973016.db2.gz XJLOIJLQKBNGMK-NSHDSACASA-N 2 0 258.366 -0.303 20 0 CBADRP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000417003399 353974628 /nfs/dbraw/zinc/97/46/28/353974628.db2.gz HJBGNVIUCQTERA-QWHCGFSZSA-N 2 0 285.436 -0.081 20 0 CBADRP CC[N@H+](CCNC(=O)N1CCO[C@@H](C[NH3+])C1)C1CC1 ZINC000417433090 353977293 /nfs/dbraw/zinc/97/72/93/353977293.db2.gz UYANQUOHPHINOX-LBPRGKRZSA-N 2 0 270.377 -0.160 20 0 CBADRP CC[N@H+](CCNC(=O)N(CC[NH3+])CCO)C(C)C ZINC000417463787 353978047 /nfs/dbraw/zinc/97/80/47/353978047.db2.gz PMUVHDGQLMWNSH-UHFFFAOYSA-N 2 0 260.382 -0.321 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(CC[NH3+])CCO ZINC000417581816 353980353 /nfs/dbraw/zinc/98/03/53/353980353.db2.gz GUDCORUSJLEUPJ-GFCCVEGCSA-N 2 0 272.393 -0.177 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH2+]CC2)C1 ZINC000417719197 353982454 /nfs/dbraw/zinc/98/24/54/353982454.db2.gz WOMUNCCWCCVHEZ-LLVKDONJSA-N 2 0 256.350 -0.678 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000417813558 353982917 /nfs/dbraw/zinc/98/29/17/353982917.db2.gz MKTRBLQIKLOBGV-CYBMUJFWSA-N 2 0 285.436 -0.079 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)NCC[N@H+](C)CCCOC ZINC000417760310 353982954 /nfs/dbraw/zinc/98/29/54/353982954.db2.gz XMAGXRMXVWEITR-LLVKDONJSA-N 2 0 260.382 -0.009 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)NCC[N@H+](C)CCCOC)C1 ZINC000417741315 353983072 /nfs/dbraw/zinc/98/30/72/353983072.db2.gz ADBRFQRGZXGBHK-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)NCCN1CC[NH2+]CC1 ZINC000417822907 353983192 /nfs/dbraw/zinc/98/31/92/353983192.db2.gz XNUPXUUELWCBHL-UHFFFAOYSA-N 2 0 285.436 -0.077 20 0 CBADRP C[C@H]1CC[NH2+][C@@H](C(=O)N(C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000417777230 353983295 /nfs/dbraw/zinc/98/32/95/353983295.db2.gz CEZVZZNXUSZPNC-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417748080 353983400 /nfs/dbraw/zinc/98/34/00/353983400.db2.gz HYRDJDZISGQFFW-LBPRGKRZSA-N 2 0 272.393 -0.009 20 0 CBADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000417812532 353983474 /nfs/dbraw/zinc/98/34/74/353983474.db2.gz OLXDRPCIOUIQES-NWDGAFQWSA-N 2 0 254.378 -0.604 20 0 CBADRP CC1(C)CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000417830219 353984055 /nfs/dbraw/zinc/98/40/55/353984055.db2.gz IYPBVQODCCEURA-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP [NH3+]C[C@@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000417827033 353984152 /nfs/dbraw/zinc/98/41/52/353984152.db2.gz FCAYQBWESHSRML-CHWSQXEVSA-N 2 0 296.415 -0.122 20 0 CBADRP C[C@@H]1[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)CCC[N@@H+]1C ZINC000418004229 353986475 /nfs/dbraw/zinc/98/64/75/353986475.db2.gz NXXKFBZJTCJNET-VXGBXAGGSA-N 2 0 282.388 -0.147 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)NCCOCC[NH+](C)C)C1 ZINC000418062195 353987580 /nfs/dbraw/zinc/98/75/80/353987580.db2.gz FLCSAWOCQFVFJY-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP [NH3+]C[C@H](NC(=O)NCCN1CC[NH2+]CC1)C1CCCC1 ZINC000418293329 353991212 /nfs/dbraw/zinc/99/12/12/353991212.db2.gz FIKNLGCFEXSMCY-ZDUSSCGKSA-N 2 0 283.420 -0.292 20 0 CBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCC[NH3+])CC1 ZINC000418301749 353991871 /nfs/dbraw/zinc/99/18/71/353991871.db2.gz ZFQFBVBTJCXFGO-ZDUSSCGKSA-N 2 0 283.420 -0.243 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000418303572 353991935 /nfs/dbraw/zinc/99/19/35/353991935.db2.gz VYHWIQDIWIEQAM-CYBMUJFWSA-N 2 0 283.420 -0.373 20 0 CBADRP CC[NH2+]CCNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000418328975 353994011 /nfs/dbraw/zinc/99/40/11/353994011.db2.gz UHRPVISMDPSCTE-UHFFFAOYSA-N 2 0 272.393 -0.306 20 0 CBADRP O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@@H]1CC[NH2+]C1 ZINC000418374687 353994657 /nfs/dbraw/zinc/99/46/57/353994657.db2.gz GYCTUIHGMHYVQN-NEPJUHHUSA-N 2 0 270.377 -0.506 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000418362972 353994760 /nfs/dbraw/zinc/99/47/60/353994760.db2.gz BOEKQIJLNJJNCP-CHWSQXEVSA-N 2 0 286.420 -0.012 20 0 CBADRP CC1CC[NH+](C[C@H](O)CNC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000418389536 353995750 /nfs/dbraw/zinc/99/57/50/353995750.db2.gz UAONRLSJQSDPOL-CHWSQXEVSA-N 2 0 284.404 -0.260 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)NC[C@H]1CCCC[N@H+]1CCO ZINC000418379730 353996188 /nfs/dbraw/zinc/99/61/88/353996188.db2.gz WGNQEGUSKLZOGQ-CHWSQXEVSA-N 2 0 284.404 -0.116 20 0 CBADRP C[C@H]1C[C@@H](C[N@H+](C)CC(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC000414651146 353963502 /nfs/dbraw/zinc/96/35/02/353963502.db2.gz FFELTSQBZFVGDT-STQMWFEESA-N 3 0 268.405 -0.262 20 0 CBADRP C[C@H](O)C(=O)N1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414705410 353963566 /nfs/dbraw/zinc/96/35/66/353963566.db2.gz LOOHFWGXKNZPSL-FRRDWIJNSA-N 2 0 269.389 -0.101 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000419233419 354040169 /nfs/dbraw/zinc/04/01/69/354040169.db2.gz GTSXNVKZOJUMDF-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000419234350 354040338 /nfs/dbraw/zinc/04/03/38/354040338.db2.gz HYTYNZZVTFXXIQ-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418442354 353998263 /nfs/dbraw/zinc/99/82/63/353998263.db2.gz DPKFQJRGOXSREK-KBPBESRZSA-N 2 0 291.399 -0.111 20 0 CBADRP CC(C)(O)C[NH+]1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000418495074 353998700 /nfs/dbraw/zinc/99/87/00/353998700.db2.gz FFRIFNGZLIWZHM-GFCCVEGCSA-N 2 0 284.404 -0.178 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418491448 353999191 /nfs/dbraw/zinc/99/91/91/353999191.db2.gz OGTLITDSDRBSAZ-HTQZYQBOSA-N 2 0 250.293 -0.122 20 0 CBADRP [NH3+][C@@H](CNC(=O)NCCNc1cc[nH+]cc1)C1CC1 ZINC000418502983 354000619 /nfs/dbraw/zinc/00/06/19/354000619.db2.gz WEVKDKOERWBPOA-LBPRGKRZSA-N 2 0 263.345 -0.048 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000418562533 354003098 /nfs/dbraw/zinc/00/30/98/354003098.db2.gz GISGBKCDUASVNY-GARJFASQSA-N 2 0 258.366 -0.570 20 0 CBADRP [NH3+]C[C@H](NC(=O)N1CCO[C@H](C[NH3+])C1)C1CCCC1 ZINC000418596744 354003673 /nfs/dbraw/zinc/00/36/73/354003673.db2.gz PBMXIPQPPKCWKI-NEPJUHHUSA-N 2 0 270.377 -0.127 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000418614688 354004568 /nfs/dbraw/zinc/00/45/68/354004568.db2.gz GIMGLLWQKOLZOQ-OCCSQVGLSA-N 2 0 284.404 -0.130 20 0 CBADRP C[C@@H]1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)[C@@H](C[NH3+])C1 ZINC000418769572 354008113 /nfs/dbraw/zinc/00/81/13/354008113.db2.gz PXPYXOHESCUDPK-UTUOFQBUSA-N 2 0 270.377 -0.256 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CCCC1 ZINC000418825520 354010542 /nfs/dbraw/zinc/01/05/42/354010542.db2.gz BSZNZNNPMACZDF-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CCCC1 ZINC000418832249 354010718 /nfs/dbraw/zinc/01/07/18/354010718.db2.gz JUHRHKGTZNQFGZ-LLVKDONJSA-N 2 0 282.388 -0.463 20 0 CBADRP CC(C)(CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCCCC1 ZINC000418827201 354010785 /nfs/dbraw/zinc/01/07/85/354010785.db2.gz DHEMLEJZQZVKFL-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000418836902 354011367 /nfs/dbraw/zinc/01/13/67/354011367.db2.gz RXXYYQWQQHAFPI-UWVGGRQHSA-N 2 0 298.412 -0.070 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CCCC1 ZINC000418834470 354011700 /nfs/dbraw/zinc/01/17/00/354011700.db2.gz LXWZQUFIWLYYPY-GFCCVEGCSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000418836901 354011724 /nfs/dbraw/zinc/01/17/24/354011724.db2.gz RXXYYQWQQHAFPI-NXEZZACHSA-N 2 0 298.412 -0.070 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NCC(C)(C)[NH3+])CCCC1 ZINC000418840045 354011776 /nfs/dbraw/zinc/01/17/76/354011776.db2.gz XIVHVDRCUBOEKS-UHFFFAOYSA-N 2 0 284.404 -0.170 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000418929285 354015165 /nfs/dbraw/zinc/01/51/65/354015165.db2.gz ZOYSOQYDOQJUKG-DOMZBBRYSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000418929286 354015369 /nfs/dbraw/zinc/01/53/69/354015369.db2.gz ZOYSOQYDOQJUKG-IUODEOHRSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000418929288 354015654 /nfs/dbraw/zinc/01/56/54/354015654.db2.gz ZOYSOQYDOQJUKG-WFASDCNBSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000418949603 354016471 /nfs/dbraw/zinc/01/64/71/354016471.db2.gz VDECODPBEHGFMW-UHFFFAOYSA-N 2 0 292.383 -0.430 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418955462 354017712 /nfs/dbraw/zinc/01/77/12/354017712.db2.gz YFHYKWBURCOJAQ-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000418989538 354020386 /nfs/dbraw/zinc/02/03/86/354020386.db2.gz UFHFSIZYBKELTG-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP [NH3+][C@@H](CNC(=O)C(=O)NCCC[NH+]1CCCCC1)C1CC1 ZINC000419009254 354022887 /nfs/dbraw/zinc/02/28/87/354022887.db2.gz WVTJTFIKZQQSHX-ZDUSSCGKSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000419010587 354022917 /nfs/dbraw/zinc/02/29/17/354022917.db2.gz YXACVSATFUTNGG-GFCCVEGCSA-N 2 0 284.404 -0.168 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000419011268 354023120 /nfs/dbraw/zinc/02/31/20/354023120.db2.gz ZTNXMIJCKPQGRD-CYBMUJFWSA-N 2 0 296.415 -0.072 20 0 CBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419026311 354025078 /nfs/dbraw/zinc/02/50/78/354025078.db2.gz NKSVOAXCQLZYFJ-FRRDWIJNSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419032408 354025272 /nfs/dbraw/zinc/02/52/72/354025272.db2.gz WMQLSZWONGXIHN-UPJWGTAASA-N 2 0 296.415 -0.217 20 0 CBADRP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)C1 ZINC000419033410 354026916 /nfs/dbraw/zinc/02/69/16/354026916.db2.gz XHWJJRNPCAIVGK-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419080737 354027069 /nfs/dbraw/zinc/02/70/69/354027069.db2.gz QFMCJNRPRWOAQE-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419081217 354027087 /nfs/dbraw/zinc/02/70/87/354027087.db2.gz RHTSMVBRUXSKOQ-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419083624 354027382 /nfs/dbraw/zinc/02/73/82/354027382.db2.gz XAPMLILZFDQDSF-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NCC1([NH3+])CCCCC1)C1CC1 ZINC000419082853 354027582 /nfs/dbraw/zinc/02/75/82/354027582.db2.gz AYYHTZRHVISRTG-UHFFFAOYSA-N 2 0 296.415 -0.025 20 0 CBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419083623 354027593 /nfs/dbraw/zinc/02/75/93/354027593.db2.gz XAPMLILZFDQDSF-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCC[NH2+]C ZINC000419071419 354027817 /nfs/dbraw/zinc/02/78/17/354027817.db2.gz AAJCDUFMHUAFBU-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP C[C@H]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)C[C@H]1C[NH3+] ZINC000419111742 354028744 /nfs/dbraw/zinc/02/87/44/354028744.db2.gz UNLUOZBAQYQGPN-NWDGAFQWSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419126845 354029979 /nfs/dbraw/zinc/02/99/79/354029979.db2.gz YNCZWUOARLXZIC-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000419131982 354030346 /nfs/dbraw/zinc/03/03/46/354030346.db2.gz FFVKRNKNOLTKGQ-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CC[NH2+]CC1)C(C)(C)C ZINC000419136158 354030432 /nfs/dbraw/zinc/03/04/32/354030432.db2.gz OSWOVXHSWLXVDQ-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000419133675 354030500 /nfs/dbraw/zinc/03/05/00/354030500.db2.gz GHZACBVNPQPQRL-QWRGUYRKSA-N 2 0 280.372 -0.840 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419136213 354030645 /nfs/dbraw/zinc/03/06/45/354030645.db2.gz MUXURSGKJSPKEN-RWMBFGLXSA-N 2 0 296.415 -0.204 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419283244 354043304 /nfs/dbraw/zinc/04/33/04/354043304.db2.gz JLUUKDSENDADBU-BETUJISGSA-N 2 0 296.415 -0.488 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000419159455 354034170 /nfs/dbraw/zinc/03/41/70/354034170.db2.gz ZCYLNNNTTZGPDL-PWSUYJOCSA-N 2 0 282.388 -0.561 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000419159452 354034430 /nfs/dbraw/zinc/03/44/30/354034430.db2.gz ZCYLNNNTTZGPDL-CMPLNLGQSA-N 2 0 282.388 -0.561 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000419215968 354037175 /nfs/dbraw/zinc/03/71/75/354037175.db2.gz AVYWDVSLKRSKPE-GFCCVEGCSA-N 2 0 280.372 -0.686 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000419222942 354037867 /nfs/dbraw/zinc/03/78/67/354037867.db2.gz LMTCTEBJFABPIR-OLZOCXBDSA-N 2 0 294.399 -0.440 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419225023 354038994 /nfs/dbraw/zinc/03/89/94/354038994.db2.gz OFLSBDNZXUEYGO-CYBMUJFWSA-N 2 0 294.399 -0.392 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)C1 ZINC000419230771 354039141 /nfs/dbraw/zinc/03/91/41/354039141.db2.gz ZAPBILLMMRBIKA-ZDUSSCGKSA-N 2 0 294.399 -0.425 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000419227962 354039353 /nfs/dbraw/zinc/03/93/53/354039353.db2.gz UHEGHJADEZCELI-CYBMUJFWSA-N 2 0 296.415 -0.131 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000419226649 354039384 /nfs/dbraw/zinc/03/93/84/354039384.db2.gz RFWHOPXSIWSBAX-UHFFFAOYSA-N 2 0 282.388 -0.392 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)CCC[N@@H+]1C ZINC000419558482 354061632 /nfs/dbraw/zinc/06/16/32/354061632.db2.gz NYIRUFVBHFUSLC-ADEWGFFLSA-N 2 0 282.388 -0.561 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419874520 354087744 /nfs/dbraw/zinc/08/77/44/354087744.db2.gz WBWJLTDZVFGUQS-CHWSQXEVSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000419554699 354061824 /nfs/dbraw/zinc/06/18/24/354061824.db2.gz ICLKTGHIIQVXRG-UTUOFQBUSA-N 2 0 282.388 -0.594 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000419872318 354087812 /nfs/dbraw/zinc/08/78/12/354087812.db2.gz LHGPEYNVVMNAFD-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000419565212 354062788 /nfs/dbraw/zinc/06/27/88/354062788.db2.gz YMRBULDTSOWGND-MXWKQRLJSA-N 2 0 270.377 -0.691 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CCC[N@@H+]1C ZINC000419566267 354062966 /nfs/dbraw/zinc/06/29/66/354062966.db2.gz ZSQVZLCUBRQFJX-NEPJUHHUSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000419566013 354063063 /nfs/dbraw/zinc/06/30/63/354063063.db2.gz ZJGQLTGGAMJWNI-RWMBFGLXSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000419576282 354063097 /nfs/dbraw/zinc/06/30/97/354063097.db2.gz BULQLUPYVYIBNR-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000419579428 354063555 /nfs/dbraw/zinc/06/35/55/354063555.db2.gz GAJXYLWGGKYFLN-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419580438 354063568 /nfs/dbraw/zinc/06/35/68/354063568.db2.gz HKQSXKPRLKACGP-QWHCGFSZSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419579897 354063693 /nfs/dbraw/zinc/06/36/93/354063693.db2.gz GXNUMRNJHGXAJA-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419578054 354063793 /nfs/dbraw/zinc/06/37/93/354063793.db2.gz DTVJKOJXDFRNBD-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419583978 354064171 /nfs/dbraw/zinc/06/41/71/354064171.db2.gz KUJCEOURJARHRE-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000419585261 354064270 /nfs/dbraw/zinc/06/42/70/354064270.db2.gz LWBCQIWODZHVKK-AAEUAGOBSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419580439 354064297 /nfs/dbraw/zinc/06/42/97/354064297.db2.gz HKQSXKPRLKACGP-STQMWFEESA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])[N@H+](C)C1CC1 ZINC000419590906 354064636 /nfs/dbraw/zinc/06/46/36/354064636.db2.gz QUKZTBRORVYRGE-VHSXEESVSA-N 2 0 270.377 -0.704 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419593161 354064726 /nfs/dbraw/zinc/06/47/26/354064726.db2.gz SRMDFWRFCYZWPY-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[N@H+](C)C1CC1 ZINC000419596386 354064837 /nfs/dbraw/zinc/06/48/37/354064837.db2.gz YAVQXBFWMQSICM-JOYOIKCWSA-N 2 0 282.388 -0.561 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419596375 354065619 /nfs/dbraw/zinc/06/56/19/354065619.db2.gz YADWEWAPNASUBV-QWHCGFSZSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000419877564 354087983 /nfs/dbraw/zinc/08/79/83/354087983.db2.gz REEIMCKPWGWIHO-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419667309 354068193 /nfs/dbraw/zinc/06/81/93/354068193.db2.gz ACQMREHXCJMVQZ-NWDGAFQWSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000419666080 354068504 /nfs/dbraw/zinc/06/85/04/354068504.db2.gz PUHDSKFNRJKRPF-UHFFFAOYSA-N 2 0 286.420 -0.053 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000419739252 354073759 /nfs/dbraw/zinc/07/37/59/354073759.db2.gz VYXQBCQGFYKAMI-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[NH+](CC)CC ZINC000419736741 354073958 /nfs/dbraw/zinc/07/39/58/354073958.db2.gz RYMSBWKYGFJXOO-LLVKDONJSA-N 2 0 272.393 -0.441 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419735360 354074212 /nfs/dbraw/zinc/07/42/12/354074212.db2.gz QAASWJIMFFTOMT-OAHLLOKOSA-N 2 0 298.431 -0.050 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419739870 354074637 /nfs/dbraw/zinc/07/46/37/354074637.db2.gz WXHVYJGSJNHKJV-UHFFFAOYSA-N 2 0 286.420 -0.112 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419758166 354075153 /nfs/dbraw/zinc/07/51/53/354075153.db2.gz DPQRUCKDBJTVDY-NSHDSACASA-N 2 0 272.393 -0.455 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419768400 354076203 /nfs/dbraw/zinc/07/62/03/354076203.db2.gz UJKCBVLGBGMPTQ-LLVKDONJSA-N 2 0 272.393 -0.360 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000419770002 354076352 /nfs/dbraw/zinc/07/63/52/354076352.db2.gz FGPSUHHWHRKDKO-GHMZBOCLSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000419770003 354076375 /nfs/dbraw/zinc/07/63/75/354076375.db2.gz FGPSUHHWHRKDKO-MNOVXSKESA-N 2 0 284.404 -0.314 20 0 CBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419783843 354077076 /nfs/dbraw/zinc/07/70/76/354077076.db2.gz VRVGAGIVHRJDLA-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419782466 354077113 /nfs/dbraw/zinc/07/71/13/354077113.db2.gz OPVDSLNSVZFBSD-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000419782605 354077237 /nfs/dbraw/zinc/07/72/37/354077237.db2.gz UJYHIMXZJOKCKB-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H](C)C[NH3+])C(C)C ZINC000419795745 354078590 /nfs/dbraw/zinc/07/85/90/354078590.db2.gz LMQANWYYFQCYMX-LBPRGKRZSA-N 2 0 286.420 -0.068 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419786301 354078649 /nfs/dbraw/zinc/07/86/49/354078649.db2.gz URCWIMLFMYBQPY-VXGBXAGGSA-N 2 0 286.420 -0.068 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)C[NH+]1CCCC1 ZINC000419805569 354079151 /nfs/dbraw/zinc/07/91/51/354079151.db2.gz CCGFXRBRSQKNIV-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[NH2+]CC1 ZINC000419805039 354079601 /nfs/dbraw/zinc/07/96/01/354079601.db2.gz BVDCQGMDQXBCQX-NEPJUHHUSA-N 2 0 280.372 -0.839 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000419819991 354080451 /nfs/dbraw/zinc/08/04/51/354080451.db2.gz KEHBDNLVJCWQNK-LBPRGKRZSA-N 2 0 284.404 -0.440 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CCCCC1 ZINC000419831214 354081391 /nfs/dbraw/zinc/08/13/91/354081391.db2.gz WPUFXVDXGQCHLI-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000419831929 354081406 /nfs/dbraw/zinc/08/14/06/354081406.db2.gz RGJPZZHNKAGQDM-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419835976 354082030 /nfs/dbraw/zinc/08/20/30/354082030.db2.gz BAHCHIPOLCXIGU-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)C[NH+]1CCCC1 ZINC000419834727 354082538 /nfs/dbraw/zinc/08/25/38/354082538.db2.gz ULXKESYPOYGJAE-LBPRGKRZSA-N 2 0 296.415 -0.168 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419839378 354083484 /nfs/dbraw/zinc/08/34/84/354083484.db2.gz HGXZCIOAUJPUAK-LLVKDONJSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000419846513 354083746 /nfs/dbraw/zinc/08/37/46/354083746.db2.gz QBDSWSHBWFEGTC-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419849210 354085055 /nfs/dbraw/zinc/08/50/55/354085055.db2.gz XYHDESZKCGJZFE-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000419864988 354086035 /nfs/dbraw/zinc/08/60/35/354086035.db2.gz PAMFKYHBGDGZLH-OLZOCXBDSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419860524 354086405 /nfs/dbraw/zinc/08/64/05/354086405.db2.gz KYQBWJYUVMUBPY-VXGBXAGGSA-N 2 0 282.388 -0.608 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000419861774 354086527 /nfs/dbraw/zinc/08/65/27/354086527.db2.gz AASVDZILBUVUAE-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CCCN(C(=O)CCOC1C[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000349023728 282993792 /nfs/dbraw/zinc/99/37/92/282993792.db2.gz CLPQGWXBGSXOOO-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000419287769 354044594 /nfs/dbraw/zinc/04/45/94/354044594.db2.gz QMOUAAWOQUODME-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419290012 354045026 /nfs/dbraw/zinc/04/50/26/354045026.db2.gz UUIHIEINEQKSJH-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000419316672 354045627 /nfs/dbraw/zinc/04/56/27/354045627.db2.gz LOWDFFROQGDGNG-TUAOUCFPSA-N 2 0 294.399 -0.452 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000419315586 354046239 /nfs/dbraw/zinc/04/62/39/354046239.db2.gz KGVCIGNCFNYQPU-NTZNESFSSA-N 2 0 296.415 -0.173 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000419328893 354046873 /nfs/dbraw/zinc/04/68/73/354046873.db2.gz FYJIQZSHCQGXRJ-YPMHNXCESA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000419340846 354047072 /nfs/dbraw/zinc/04/70/72/354047072.db2.gz XOBYDFUOIPDBHC-RTXFEEFZSA-N 2 0 296.415 -0.315 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000419405148 354051180 /nfs/dbraw/zinc/05/11/80/354051180.db2.gz HIBJRYDEUGOAON-LLVKDONJSA-N 2 0 270.377 -0.702 20 0 CBADRP C[N@H+](CCCNC(=O)C(=O)NCC[NH3+])C1CCCCC1 ZINC000419406358 354051790 /nfs/dbraw/zinc/05/17/90/354051790.db2.gz IQSJYCHJDDIVCT-UHFFFAOYSA-N 2 0 284.404 -0.168 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000419408445 354052603 /nfs/dbraw/zinc/05/26/03/354052603.db2.gz LOMFVMBRSVINMG-AAEUAGOBSA-N 2 0 296.415 -0.312 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000419411508 354052664 /nfs/dbraw/zinc/05/26/64/354052664.db2.gz PWQFNLNLEIKKGS-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419413092 354052680 /nfs/dbraw/zinc/05/26/80/354052680.db2.gz RPANLOUQGCZKOQ-GFCCVEGCSA-N 2 0 284.404 -0.440 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000419410011 354052711 /nfs/dbraw/zinc/05/27/11/354052711.db2.gz NWTALLJIIPRYNG-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000419414706 354052721 /nfs/dbraw/zinc/05/27/21/354052721.db2.gz UHVHOPVOHVVDJF-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000419417649 354053253 /nfs/dbraw/zinc/05/32/53/354053253.db2.gz XKDQVIPLMSBREC-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419415254 354053446 /nfs/dbraw/zinc/05/34/46/354053446.db2.gz VDHCPDYSCYPKCP-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000419417048 354053522 /nfs/dbraw/zinc/05/35/22/354053522.db2.gz HQPFIXQLSLDNBR-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419423376 354053549 /nfs/dbraw/zinc/05/35/49/354053549.db2.gz NGVUXQKNABBEHZ-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000419415204 354053600 /nfs/dbraw/zinc/05/36/00/354053600.db2.gz UWVHNXZSZYVUNN-NWDGAFQWSA-N 2 0 284.404 -0.455 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000419419089 354053646 /nfs/dbraw/zinc/05/36/46/354053646.db2.gz YVRZDFDOABPREJ-STQMWFEESA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419417050 354053723 /nfs/dbraw/zinc/05/37/23/354053723.db2.gz HQPFIXQLSLDNBR-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N(C)CC[NH3+])C1 ZINC000419419460 354053857 /nfs/dbraw/zinc/05/38/57/354053857.db2.gz ZAACHTJPASXEQM-BETUJISGSA-N 2 0 298.431 -0.112 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)C1CC1 ZINC000419502244 354056882 /nfs/dbraw/zinc/05/68/82/354056882.db2.gz CLYLYFYVGBLMKZ-AAEUAGOBSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000419519087 354057335 /nfs/dbraw/zinc/05/73/35/354057335.db2.gz FOKHISIYAZSAQY-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N(C)[C@H](C)C[NH3+])C1CC1 ZINC000419509227 354057739 /nfs/dbraw/zinc/05/77/39/354057739.db2.gz DSWXUXDWXSPSCA-SNVBAGLBSA-N 2 0 270.377 -0.608 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCC[NH2+]C ZINC000419525210 354058136 /nfs/dbraw/zinc/05/81/36/354058136.db2.gz RCOLJTGNDWEGJG-LLVKDONJSA-N 2 0 272.393 -0.441 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419527523 354058461 /nfs/dbraw/zinc/05/84/61/354058461.db2.gz VHYUEULOKORNNV-JTQLQIEISA-N 2 0 272.393 -0.314 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[NH2+]C ZINC000419524552 354058687 /nfs/dbraw/zinc/05/86/87/354058687.db2.gz QDSZSEOAVSKMHN-SNVBAGLBSA-N 2 0 258.366 -0.832 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419527011 354058691 /nfs/dbraw/zinc/05/86/91/354058691.db2.gz URIARJDIFFLSSE-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000419549271 354059909 /nfs/dbraw/zinc/05/99/09/354059909.db2.gz SUKUBGGNEZAVPR-VXGBXAGGSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000419547749 354060418 /nfs/dbraw/zinc/06/04/18/354060418.db2.gz QGHBADKEXZRCFC-NEPJUHHUSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000419549266 354060445 /nfs/dbraw/zinc/06/04/45/354060445.db2.gz SUKUBGGNEZAVPR-NEPJUHHUSA-N 2 0 298.431 -0.101 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000419561418 354061482 /nfs/dbraw/zinc/06/14/82/354061482.db2.gz SJSUVALIUJGZRR-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)OCCS(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420460985 354129904 /nfs/dbraw/zinc/12/99/04/354129904.db2.gz SYRJDNRRYXXNDT-UHFFFAOYSA-N 2 0 281.422 -0.259 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420596553 354132570 /nfs/dbraw/zinc/13/25/70/354132570.db2.gz HNCFDCVXPIXAQR-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000419890330 354089578 /nfs/dbraw/zinc/08/95/78/354089578.db2.gz MBOYUUCMBPCEPD-GFCCVEGCSA-N 2 0 284.404 -0.489 20 0 CBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419889808 354089699 /nfs/dbraw/zinc/08/96/99/354089699.db2.gz SDMBBSMPNJRBFJ-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419894243 354090587 /nfs/dbraw/zinc/09/05/87/354090587.db2.gz QSWJEJURGLTDDR-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCC[NH2+]C)C(C)C ZINC000419895190 354090641 /nfs/dbraw/zinc/09/06/41/354090641.db2.gz MAFGHSAKRGJDES-UHFFFAOYSA-N 2 0 258.366 -0.832 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CCC[N@H+](CC)CC1 ZINC000419891062 354090753 /nfs/dbraw/zinc/09/07/53/354090753.db2.gz MSHZZLYQJHNQMR-UHFFFAOYSA-N 2 0 270.377 -0.734 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419898246 354092158 /nfs/dbraw/zinc/09/21/58/354092158.db2.gz WPMIGBPEEAKIKS-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)[C@@H]2C1 ZINC000419911417 354093695 /nfs/dbraw/zinc/09/36/95/354093695.db2.gz BHSRVGKAWONGHD-RWMBFGLXSA-N 2 0 294.399 -0.593 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000419937601 354094466 /nfs/dbraw/zinc/09/44/66/354094466.db2.gz WACNJPHKMJDJDU-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000419954783 354096471 /nfs/dbraw/zinc/09/64/71/354096471.db2.gz QVRUYVUCLNLKFQ-LLVKDONJSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000419954536 354096525 /nfs/dbraw/zinc/09/65/25/354096525.db2.gz MEODWJTXRYIJGX-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000419960721 354097290 /nfs/dbraw/zinc/09/72/90/354097290.db2.gz WRPYRBRXPKJTAC-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000419964347 354098218 /nfs/dbraw/zinc/09/82/18/354098218.db2.gz XEVFDVDDEOAKIT-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)C[NH2+]C)C1 ZINC000419981307 354099515 /nfs/dbraw/zinc/09/95/15/354099515.db2.gz RXQCJPIFDCYUSO-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000419982513 354099802 /nfs/dbraw/zinc/09/98/02/354099802.db2.gz SZQTUUGLDVHWFG-XQQFMLRXSA-N 2 0 296.415 -0.362 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000419982515 354100428 /nfs/dbraw/zinc/10/04/28/354100428.db2.gz SZQTUUGLDVHWFG-YNEHKIRRSA-N 2 0 296.415 -0.362 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000420014427 354101935 /nfs/dbraw/zinc/10/19/35/354101935.db2.gz KECGEMQGQVRPFB-NSHDSACASA-N 2 0 270.377 -0.608 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000420017746 354103364 /nfs/dbraw/zinc/10/33/64/354103364.db2.gz WHGZELUHXIUECA-LLVKDONJSA-N 2 0 272.393 -0.360 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000420053352 354105248 /nfs/dbraw/zinc/10/52/48/354105248.db2.gz XNOIKAVTYIGODP-JHJVBQTASA-N 2 0 296.415 -0.217 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000420153353 354113831 /nfs/dbraw/zinc/11/38/31/354113831.db2.gz GMESAOGYAYFSGO-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP COC(=O)CC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420302601 354121750 /nfs/dbraw/zinc/12/17/50/354121750.db2.gz WMXROVPVBNMTAJ-LBPRGKRZSA-N 2 0 283.372 -0.307 20 0 CBADRP CC(C)NC(=O)C(=O)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420298681 354121892 /nfs/dbraw/zinc/12/18/92/354121892.db2.gz FQUVXGSDRYMITG-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP COC(=O)CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000420302340 354121920 /nfs/dbraw/zinc/12/19/20/354121920.db2.gz FSVUVHJYJMYAJM-TUAOUCFPSA-N 2 0 283.372 -0.275 20 0 CBADRP COC(=O)CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420302335 354121963 /nfs/dbraw/zinc/12/19/63/354121963.db2.gz FSVUVHJYJMYAJM-SDDRHHMPSA-N 2 0 283.372 -0.275 20 0 CBADRP O=C1CNCCN1[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420309643 354122468 /nfs/dbraw/zinc/12/24/68/354122468.db2.gz OYEZOYFQLLKQBE-ZIAGYGMSSA-N 2 0 280.416 -0.118 20 0 CBADRP NS(=O)(=O)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420327345 354122495 /nfs/dbraw/zinc/12/24/95/354122495.db2.gz YKFOFUBYPAWMLX-NSHDSACASA-N 2 0 276.406 -0.803 20 0 CBADRP CCS(=O)(=O)NCCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420318658 354123206 /nfs/dbraw/zinc/12/32/06/354123206.db2.gz OIGQRNQZLKYFTD-MNOVXSKESA-N 2 0 263.407 -0.015 20 0 CBADRP C[C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000420401256 354126752 /nfs/dbraw/zinc/12/67/52/354126752.db2.gz IYZZJEXGNPKTHO-STQMWFEESA-N 3 0 268.405 -0.275 20 0 CBADRP C[C@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCN1S(C)(=O)=O ZINC000420369839 354126799 /nfs/dbraw/zinc/12/67/99/354126799.db2.gz JBTGKMUVADGEMK-RYUDHWBXSA-N 2 0 275.418 -0.048 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C[C@H](C)[NH2+]1 ZINC000423245145 354165443 /nfs/dbraw/zinc/16/54/43/354165443.db2.gz YEHSBFQPQCHQCZ-XQQFMLRXSA-N 2 0 296.415 -0.252 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000423228094 354165464 /nfs/dbraw/zinc/16/54/64/354165464.db2.gz YDOYECNKXWOLSZ-ZDUSSCGKSA-N 2 0 296.415 -0.120 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C[C@H]1[NH3+] ZINC000423246394 354165612 /nfs/dbraw/zinc/16/56/12/354165612.db2.gz ZKMVCQJYJGEEDE-IJLUTSLNSA-N 2 0 282.388 -0.655 20 0 CBADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423201972 354165807 /nfs/dbraw/zinc/16/58/07/354165807.db2.gz JVHUQFIEZADJLS-OCCSQVGLSA-N 2 0 252.406 -0.036 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C[C@H]1[NH3+] ZINC000423246393 354165960 /nfs/dbraw/zinc/16/59/60/354165960.db2.gz ZKMVCQJYJGEEDE-GRYCIOLGSA-N 2 0 282.388 -0.655 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423203023 354166041 /nfs/dbraw/zinc/16/60/41/354166041.db2.gz BSADKDSMULVBET-LBPRGKRZSA-N 2 0 282.388 -0.510 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)CC[NH2+]1 ZINC000423212758 354166091 /nfs/dbraw/zinc/16/60/91/354166091.db2.gz MHOSZSZLZFGVNG-LBPRGKRZSA-N 2 0 282.388 -0.639 20 0 CBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423302412 354168418 /nfs/dbraw/zinc/16/84/18/354168418.db2.gz HLDIIZZSPOGCQV-CYBMUJFWSA-N 2 0 296.415 -0.120 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[C@H]1[NH+](C)C ZINC000423354815 354170919 /nfs/dbraw/zinc/17/09/19/354170919.db2.gz OALJMNJEBJUYNS-VXGBXAGGSA-N 2 0 296.415 -0.395 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@@H]1[NH+](C)C ZINC000423355496 354171701 /nfs/dbraw/zinc/17/17/01/354171701.db2.gz PCFJJIJXOWHKEU-UTUOFQBUSA-N 2 0 282.388 -0.655 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH2+]1 ZINC000423367882 354172336 /nfs/dbraw/zinc/17/23/36/354172336.db2.gz ASQIVDKDODSCEN-XQQFMLRXSA-N 2 0 294.399 -0.498 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000423405792 354174405 /nfs/dbraw/zinc/17/44/05/354174405.db2.gz ZRQSRZWIQGBGCD-LBPRGKRZSA-N 2 0 284.404 -0.264 20 0 CBADRP CC1(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C[NH2+]C1 ZINC000423422119 354175679 /nfs/dbraw/zinc/17/56/79/354175679.db2.gz CUPLVQRWFPCSNY-LBPRGKRZSA-N 2 0 267.373 -0.223 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000422044307 354141892 /nfs/dbraw/zinc/14/18/92/354141892.db2.gz XLPBOUBCFYIDJG-KGLIPLIRSA-N 2 0 280.416 -0.071 20 0 CBADRP C[C@@H]1C[C@H](C)N(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000422536586 354149936 /nfs/dbraw/zinc/14/99/36/354149936.db2.gz FQRJDGSGQQTDGP-XQHKEYJVSA-N 2 0 296.415 -0.314 20 0 CBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000422776430 354154773 /nfs/dbraw/zinc/15/47/73/354154773.db2.gz ANPUQZQOJCUZLK-RYUDHWBXSA-N 2 0 255.362 -0.036 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000422974696 354158372 /nfs/dbraw/zinc/15/83/72/354158372.db2.gz RSYLASQDCPUNKG-LLVKDONJSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422972969 354158882 /nfs/dbraw/zinc/15/88/82/354158882.db2.gz NGGHTXUTYKNGRG-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423058945 354161129 /nfs/dbraw/zinc/16/11/29/354161129.db2.gz DKNGTVRKVPPVQU-XQQFMLRXSA-N 2 0 296.415 -0.408 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000423054713 354161434 /nfs/dbraw/zinc/16/14/34/354161434.db2.gz CDJLNKVXKWLZLV-UHFFFAOYSA-N 2 0 296.415 -0.120 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000423499679 354177645 /nfs/dbraw/zinc/17/76/45/354177645.db2.gz IABTVYJNNMFNMS-STQMWFEESA-N 2 0 298.431 -0.006 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423074469 354162659 /nfs/dbraw/zinc/16/26/59/354162659.db2.gz UTOFTTOUECIDAQ-LBPRGKRZSA-N 2 0 282.388 -0.510 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000423172255 354164682 /nfs/dbraw/zinc/16/46/82/354164682.db2.gz RZHFYSDARVSEKI-UHFFFAOYSA-N 2 0 298.431 -0.016 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)C1 ZINC000423523858 354178663 /nfs/dbraw/zinc/17/86/63/354178663.db2.gz NUOPJLLUKYQBFO-LLVKDONJSA-N 2 0 282.388 -0.641 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423517591 354178708 /nfs/dbraw/zinc/17/87/08/354178708.db2.gz IAADHCWYUWJQNQ-UHFFFAOYSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423573796 354180660 /nfs/dbraw/zinc/18/06/60/354180660.db2.gz ZPWBOSKPVKQIJD-XQQFMLRXSA-N 2 0 294.399 -0.369 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C[C@@H](C)[NH2+]1 ZINC000423568193 354180943 /nfs/dbraw/zinc/18/09/43/354180943.db2.gz RMLJKZSYLLZMHQ-UPJWGTAASA-N 2 0 296.415 -0.395 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000423580186 354181548 /nfs/dbraw/zinc/18/15/48/354181548.db2.gz RCPJFZKLJICLGA-LBPRGKRZSA-N 2 0 296.415 -0.251 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423586821 354181735 /nfs/dbraw/zinc/18/17/35/354181735.db2.gz BPLRGNHRGUXADJ-ZDUSSCGKSA-N 2 0 296.415 -0.120 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000423611650 354184708 /nfs/dbraw/zinc/18/47/08/354184708.db2.gz SLRQSQKBLBUBOY-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000423623579 354185783 /nfs/dbraw/zinc/18/57/83/354185783.db2.gz OLWAIWGPLYGHOY-LLVKDONJSA-N 2 0 270.377 -0.654 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)[C@H](C)C[NH2+]1 ZINC000423634288 354186250 /nfs/dbraw/zinc/18/62/50/354186250.db2.gz QMJJOZTUZNVHJG-LPWJVIDDSA-N 2 0 296.415 -0.254 20 0 CBADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000423638376 354187888 /nfs/dbraw/zinc/18/78/88/354187888.db2.gz DPNMJFBCIWYNPY-WOPDTQHZSA-N 2 0 282.388 -0.655 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1COCCN1C1CCCC1 ZINC000423663393 354189821 /nfs/dbraw/zinc/18/98/21/354189821.db2.gz GCZFJEPMTWFHBI-IACUBPJLSA-N 2 0 297.399 -0.674 20 0 CBADRP CCCCN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423665655 354190319 /nfs/dbraw/zinc/19/03/19/354190319.db2.gz KEKGFUKFTFXTSW-XQHKEYJVSA-N 2 0 267.373 -0.179 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC[NH2+]1 ZINC000423694534 354192290 /nfs/dbraw/zinc/19/22/90/354192290.db2.gz GERLXOCMQBMGNP-DOMZBBRYSA-N 2 0 294.399 -0.639 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000423715853 354192555 /nfs/dbraw/zinc/19/25/55/354192555.db2.gz HUQGSMAHEUFHOW-WDEREUQCSA-N 2 0 270.377 -0.655 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000423716160 354192568 /nfs/dbraw/zinc/19/25/68/354192568.db2.gz IASDAMKCUSBIRY-NEPJUHHUSA-N 2 0 284.404 -0.265 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000423716677 354193934 /nfs/dbraw/zinc/19/39/34/354193934.db2.gz IVTVVMHUWAXOKF-CHWSQXEVSA-N 2 0 296.415 -0.121 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423724190 354194081 /nfs/dbraw/zinc/19/40/81/354194081.db2.gz MIAPSNBEOULSHM-GFCCVEGCSA-N 2 0 296.415 -0.251 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423718713 354194196 /nfs/dbraw/zinc/19/41/96/354194196.db2.gz DIDWLVTWTZSOTR-LBPRGKRZSA-N 2 0 298.431 -0.018 20 0 CBADRP CCC[C@@H](C(=O)NC[C@@H]1C[NH2+]CCN1C)[NH+](C)C ZINC000423724896 354194224 /nfs/dbraw/zinc/19/42/24/354194224.db2.gz RXYRATAQKLZYDX-RYUDHWBXSA-N 2 0 256.394 -0.264 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)C1 ZINC000423729265 354194698 /nfs/dbraw/zinc/19/46/98/354194698.db2.gz UZEBNCUZLCLIOC-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC[NH2+]1 ZINC000424075078 354208236 /nfs/dbraw/zinc/20/82/36/354208236.db2.gz IQBQPJQPMJJVCJ-MNOVXSKESA-N 2 0 278.360 -0.364 20 0 CBADRP [NH3+][C@H]1Cc2ccccc2N(C(=O)COC2C[NH2+]C2)C1 ZINC000424080450 354209260 /nfs/dbraw/zinc/20/92/60/354209260.db2.gz TZHIFDUOXVVVOF-NSHDSACASA-N 2 0 261.325 -0.109 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000424137462 354210715 /nfs/dbraw/zinc/21/07/15/354210715.db2.gz BXKOKXAAVZGGGH-GRYCIOLGSA-N 2 0 253.346 -0.486 20 0 CBADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424158996 354212127 /nfs/dbraw/zinc/21/21/27/354212127.db2.gz RVBADYNYKQOWMB-OLZOCXBDSA-N 2 0 268.405 -0.277 20 0 CBADRP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3[NH3+])cn2)CC1 ZINC000424153788 354212146 /nfs/dbraw/zinc/21/21/46/354212146.db2.gz LOXDUXNGCCDQND-OLZOCXBDSA-N 2 0 289.383 -0.203 20 0 CBADRP C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)[NH+](C)C ZINC000424157186 354212544 /nfs/dbraw/zinc/21/25/44/354212544.db2.gz PNNWGKYQZVBTMG-MNOVXSKESA-N 2 0 280.376 -0.118 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H]2COCCN2)C[C@@H]1N1CCOCC1 ZINC000424166565 354212887 /nfs/dbraw/zinc/21/28/87/354212887.db2.gz GGFZDYFRFIJQJR-RDBSUJKOSA-N 2 0 297.399 -0.456 20 0 CBADRP C[C@@H]1CN(C(=O)C2([NH3+])CCOCC2)C[C@@]1(C)C[NH3+] ZINC000424187658 354216362 /nfs/dbraw/zinc/21/63/62/354216362.db2.gz BACSOONWYVMGNC-ZYHUDNBSSA-N 2 0 255.362 -0.062 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423517004 354178493 /nfs/dbraw/zinc/17/84/93/354178493.db2.gz HKNLNFIJGOLOPU-UHFFFAOYSA-N 2 0 298.431 -0.018 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)COC1C[NH2+]C1 ZINC000430744662 354250593 /nfs/dbraw/zinc/25/05/93/354250593.db2.gz SYJFNNSCYFKXQT-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000431032842 354251398 /nfs/dbraw/zinc/25/13/98/354251398.db2.gz FBWGJPMIAHJGCB-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@H](CNC(=O)C[C@H]1C[NH2+]CCO1)C[NH+]1CCN(C)CC1 ZINC000431016188 354251535 /nfs/dbraw/zinc/25/15/35/354251535.db2.gz YVUMLOZCEFMTFX-KGLIPLIRSA-N 2 0 298.431 -0.635 20 0 CBADRP CN(C(=O)[C@H]1C[C@H](O)C[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000432510039 354252585 /nfs/dbraw/zinc/25/25/85/354252585.db2.gz BALMCPJXMAADGJ-SDDRHHMPSA-N 2 0 253.346 -0.596 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444174532 354263472 /nfs/dbraw/zinc/26/34/72/354263472.db2.gz HDDRIJNSMANZCX-HUBLWGQQSA-N 2 0 294.399 -0.558 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCCC[NH2+]3)C[C@H]2[NH3+])cn1 ZINC000424233749 354220497 /nfs/dbraw/zinc/22/04/97/354220497.db2.gz JGFJXNUBYOQBTM-XQQFMLRXSA-N 2 0 277.372 -0.185 20 0 CBADRP O=C(C1C[NH2+]C1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000424287322 354222880 /nfs/dbraw/zinc/22/28/80/354222880.db2.gz RAVPGEFRGHWOQY-NEPJUHHUSA-N 2 0 265.357 -0.567 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424474753 354225593 /nfs/dbraw/zinc/22/55/93/354225593.db2.gz IROFYMZHUIRYRZ-WCFLWFBJSA-N 2 0 294.403 -0.194 20 0 CBADRP [NH3+]C1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCOCC1 ZINC000446377410 354287436 /nfs/dbraw/zinc/28/74/36/354287436.db2.gz RGWGZSABJGJIOW-PHIMTYICSA-N 2 0 253.346 -0.153 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)C[C@H](C[NH3+])OC)CC1 ZINC000447440975 354298598 /nfs/dbraw/zinc/29/85/98/354298598.db2.gz NRAUELGPNAPADO-CYBMUJFWSA-N 2 0 287.404 -0.033 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000447523411 354300332 /nfs/dbraw/zinc/30/03/32/354300332.db2.gz UEXDSQDPBUYPOT-OLZOCXBDSA-N 2 0 268.405 -0.119 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)N1CC[NH+](C)CC1 ZINC000444270369 354267499 /nfs/dbraw/zinc/26/74/99/354267499.db2.gz OZUMXCAYWCAFFB-UMVBOHGHSA-N 2 0 280.416 -0.262 20 0 CBADRP CN1CC[C@H]2C[N@@H+]([C@H]3CC(=O)N(CC[NH+](C)C)C3=O)C[C@H]21 ZINC000448555560 354315904 /nfs/dbraw/zinc/31/59/04/354315904.db2.gz MQHWWQOQPDUFNI-RWMBFGLXSA-N 2 0 294.399 -0.689 20 0 CBADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000449698936 354321607 /nfs/dbraw/zinc/32/16/07/354321607.db2.gz OXCIPSNCACQNJA-UPJWGTAASA-N 2 0 268.405 -0.360 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000449702941 354321969 /nfs/dbraw/zinc/32/19/69/354321969.db2.gz SRWSVOJNQABCFI-LSDHHAIUSA-N 2 0 288.395 -0.279 20 0 CBADRP CC[C@@H](CO)[N@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000451161446 354334199 /nfs/dbraw/zinc/33/41/99/354334199.db2.gz YNRHMQRHODMYNR-LBPRGKRZSA-N 2 0 257.378 -0.147 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)C[C@@H]21 ZINC000452968403 354353250 /nfs/dbraw/zinc/35/32/50/354353250.db2.gz BSSBXQZLODOQBF-RDBSUJKOSA-N 2 0 278.400 -0.461 20 0 CBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)CC[NH+](C)C ZINC000459904273 354393266 /nfs/dbraw/zinc/39/32/66/354393266.db2.gz ZLOCERQHQDCBCR-UHFFFAOYSA-N 2 0 298.431 -0.049 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479288324 354407417 /nfs/dbraw/zinc/40/74/17/354407417.db2.gz ORFSUCNPHFFAGZ-GRYCIOLGSA-N 2 0 273.377 -0.818 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)/C=C/C[NH+](C)C ZINC000491909163 354462126 /nfs/dbraw/zinc/46/21/26/354462126.db2.gz WNPHCLYUJRHCTH-URWSZGRFSA-N 2 0 268.405 -0.144 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000514616222 354555080 /nfs/dbraw/zinc/55/50/80/354555080.db2.gz MTLVFVOKNUCJID-VLEAKVRGSA-N 2 0 268.361 -0.870 20 0 CBADRP CNc1ncnc2c1cnn2C[C@H](O)C[N@H+](C)CCOC ZINC000519424824 354561399 /nfs/dbraw/zinc/56/13/99/354561399.db2.gz BVPRPIAHBGTVMB-SNVBAGLBSA-N 2 0 294.359 -0.193 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CNC(=O)C[NH3+])C1 ZINC000519540886 354562526 /nfs/dbraw/zinc/56/25/26/354562526.db2.gz MJUWUEPMNWZNAY-MNOVXSKESA-N 2 0 268.361 -0.996 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000519546418 354562631 /nfs/dbraw/zinc/56/26/31/354562631.db2.gz UFVMIKUAAAXPBC-TXEJJXNPSA-N 2 0 255.362 -0.096 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCCC[C@@H]2O)CC1 ZINC000519609942 354564388 /nfs/dbraw/zinc/56/43/88/354564388.db2.gz QEQIITURSJJDOS-KFWWJZLASA-N 2 0 285.432 -0.265 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000520585709 354568384 /nfs/dbraw/zinc/56/83/84/354568384.db2.gz ZBQCRARHPRYHPW-NWDGAFQWSA-N 2 0 280.372 -0.793 20 0 CBADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000535715297 354602683 /nfs/dbraw/zinc/60/26/83/354602683.db2.gz JXPLZVLJNYBKRU-ZFWWWQNUSA-N 2 0 292.427 -0.023 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2COCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000529316829 354584838 /nfs/dbraw/zinc/58/48/38/354584838.db2.gz PLMSZLLITFHQKN-IJLUTSLNSA-N 2 0 282.388 -0.101 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529391131 354585632 /nfs/dbraw/zinc/58/56/32/354585632.db2.gz YASUIPAOBHLBHW-GARJFASQSA-N 2 0 256.350 -0.647 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)C[N@@H+]1C1CC1 ZINC000547298841 354657776 /nfs/dbraw/zinc/65/77/76/354657776.db2.gz UIQAAZQWMFXYEH-XUJVJEKNSA-N 2 0 296.415 -0.023 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)C[N@@H+]1C1CC1 ZINC000547298839 354657826 /nfs/dbraw/zinc/65/78/26/354657826.db2.gz UIQAAZQWMFXYEH-LALPHHSUSA-N 2 0 296.415 -0.023 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000537567799 354610281 /nfs/dbraw/zinc/61/02/81/354610281.db2.gz YPAAMQCFTRONAG-KKUMJFAQSA-N 2 0 285.432 -0.049 20 0 CBADRP CC[N@H+](CCNC(=O)N1CCN(C)C[C@H]1C[NH3+])C1CC1 ZINC000557144662 354685174 /nfs/dbraw/zinc/68/51/74/354685174.db2.gz MXUNGPASBOHCEM-CYBMUJFWSA-N 2 0 283.420 -0.245 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000557256469 354686010 /nfs/dbraw/zinc/68/60/10/354686010.db2.gz VDGBWRGEJLUKCO-LLVKDONJSA-N 2 0 272.393 -0.441 20 0 CBADRP CN(C(=O)NC[C@@H]1C[NH2+]CCN1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000562821206 354688950 /nfs/dbraw/zinc/68/89/50/354688950.db2.gz ZYBBVMFDHMICPM-KBPBESRZSA-N 2 0 295.431 -0.232 20 0 CBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000562957624 354689992 /nfs/dbraw/zinc/68/99/92/354689992.db2.gz LIUZTNRKDRAIAO-LBPRGKRZSA-N 2 0 296.415 -0.121 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000562971808 354690123 /nfs/dbraw/zinc/69/01/23/354690123.db2.gz XEKVUGUSKFTXOA-MNOVXSKESA-N 2 0 253.346 -0.282 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000562979079 354690577 /nfs/dbraw/zinc/69/05/77/354690577.db2.gz DNDZYSYCTCEBTD-OLZOCXBDSA-N 2 0 263.341 -0.037 20 0 CBADRP CNC(=O)CN1CCC([NH2+]C[C@@H](O)CN(C)C2CC2)CC1 ZINC000562986760 354690623 /nfs/dbraw/zinc/69/06/23/354690623.db2.gz BUYRTOWVGJUQGY-CQSZACIVSA-N 2 0 298.431 -0.759 20 0 CBADRP COCCN1CCC[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC000562986334 354690838 /nfs/dbraw/zinc/69/08/38/354690838.db2.gz XGRCSJWVNXMQDR-KBPBESRZSA-N 2 0 282.388 -0.056 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)COC2C[NH2+]C2)C1 ZINC000563063279 354693279 /nfs/dbraw/zinc/69/32/79/354693279.db2.gz WCFFRHFRRJORQC-LLVKDONJSA-N 2 0 255.362 -0.179 20 0 CBADRP CC1(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[NH2+]C1 ZINC000563048656 354693612 /nfs/dbraw/zinc/69/36/12/354693612.db2.gz XLKOAZGWYBPJGG-LLVKDONJSA-N 2 0 282.388 -0.701 20 0 CBADRP [NH3+]CCCCC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000563074961 354694738 /nfs/dbraw/zinc/69/47/38/354694738.db2.gz OXVNLBNPPVCOMQ-UHFFFAOYSA-N 2 0 296.415 -0.118 20 0 CBADRP C[C@H](C[NH3+])C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000563083537 354695123 /nfs/dbraw/zinc/69/51/23/354695123.db2.gz PLAVVPMVWJCHCD-GFCCVEGCSA-N 2 0 256.394 -0.323 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000563101453 354696710 /nfs/dbraw/zinc/69/67/10/354696710.db2.gz IDWJKRMEZWRBBX-QWRGUYRKSA-N 2 0 270.377 -0.784 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000563117009 354697666 /nfs/dbraw/zinc/69/76/66/354697666.db2.gz RGVNITXEABCISX-ZIAGYGMSSA-N 2 0 297.399 -0.266 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)c1cnn(C)c1 ZINC000563111097 354697739 /nfs/dbraw/zinc/69/77/39/354697739.db2.gz QBIZOUXWFHJFJD-UMNHJUIQSA-N 2 0 265.361 -0.124 20 0 CBADRP C[C@@]1(C(=O)NC[C@H]2C[NH2+]CCCO2)CCC[NH2+]C1 ZINC000563162877 354700795 /nfs/dbraw/zinc/70/07/95/354700795.db2.gz OZEJOFNNZBNCRE-DGCLKSJQSA-N 2 0 255.362 -0.129 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000563198269 354701744 /nfs/dbraw/zinc/70/17/44/354701744.db2.gz NEOXQXSRUSPDGZ-NEPJUHHUSA-N 2 0 282.388 -0.687 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000563209054 354703075 /nfs/dbraw/zinc/70/30/75/354703075.db2.gz MBUVWVQBIXLYGV-DOMZBBRYSA-N 2 0 280.416 -0.119 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000563814372 354706146 /nfs/dbraw/zinc/70/61/46/354706146.db2.gz SXLVHTCZGAREOA-AAEUAGOBSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(N1CCN([C@H]2CC[NH2+]C2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000563811525 354706327 /nfs/dbraw/zinc/70/63/27/354706327.db2.gz HGMKDCVPJWHFPD-DYEKYZERSA-N 2 0 264.373 -0.756 20 0 CBADRP COC[C@@](C)(CC(=O)OC)[NH2+]CCN1CC[NH2+]CC1 ZINC000563811765 354706345 /nfs/dbraw/zinc/70/63/45/354706345.db2.gz NQVILSJEJRXMJN-CYBMUJFWSA-N 2 0 273.377 -0.551 20 0 CBADRP CCNC(=O)CN1CCCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000563960549 354708692 /nfs/dbraw/zinc/70/86/92/354708692.db2.gz SXSKHDGTPOTSJK-OAHLLOKOSA-N 2 0 296.415 -0.344 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000564082876 354709896 /nfs/dbraw/zinc/70/98/96/354709896.db2.gz GTUHPYPEIDIYAO-MNOVXSKESA-N 2 0 268.361 -0.935 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@]2(COC)CC[NH2+]C2)CC1 ZINC000564726583 354715512 /nfs/dbraw/zinc/71/55/12/354715512.db2.gz NMTVOISCSLIROO-HNNXBMFYSA-N 2 0 298.431 -0.634 20 0 CBADRP CC(C)[C@@H](C[NH2+]CCC(N)=O)N1CC[NH+](C)CC1 ZINC000564857530 354718353 /nfs/dbraw/zinc/71/83/53/354718353.db2.gz VBVFTYKKIUCDPZ-GFCCVEGCSA-N 2 0 256.394 -0.277 20 0 CBADRP CCC[C@H](CCO)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000564976568 354723647 /nfs/dbraw/zinc/72/36/47/354723647.db2.gz VGRLCSBVOMYAAU-CABCVRRESA-N 2 0 287.448 -0.017 20 0 CBADRP CC[NH+](CC)CCCN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565237015 354733939 /nfs/dbraw/zinc/73/39/39/354733939.db2.gz ASVZBBFHLWWZCQ-QWHCGFSZSA-N 2 0 268.405 -0.038 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000565040792 354726360 /nfs/dbraw/zinc/72/63/60/354726360.db2.gz XVWFWDALVORDQE-CHWSQXEVSA-N 2 0 296.415 -0.297 20 0 CBADRP CC(C)[C@H](C(=O)NCCN1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000565774024 354745759 /nfs/dbraw/zinc/74/57/59/354745759.db2.gz NHWUJCGLDQIGKL-RYUDHWBXSA-N 2 0 256.394 -0.373 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000565950923 354749626 /nfs/dbraw/zinc/74/96/26/354749626.db2.gz ANOQWJRBBGVDGA-WCQYABFASA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC[NH2+]1 ZINC000566090115 354751563 /nfs/dbraw/zinc/75/15/63/354751563.db2.gz HWTOBPCYSSCLOQ-STQMWFEESA-N 2 0 294.399 -0.497 20 0 CBADRP COCC[N@H+](C)CCNC(=O)COC1CCC([NH3+])CC1 ZINC000566157753 354754564 /nfs/dbraw/zinc/75/45/64/354754564.db2.gz UKRSXEYCMOKMGB-UHFFFAOYSA-N 2 0 287.404 -0.033 20 0 CBADRP C[NH+](C)CC1CCC(NC(=O)CNC(=O)C[NH3+])CC1 ZINC000566190720 354756015 /nfs/dbraw/zinc/75/60/15/354756015.db2.gz MDGLPTWCXLLWKU-UHFFFAOYSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H](C(=O)NCC(=O)N1CC[NH2+]CC1)[NH+]1CCCCCC1 ZINC000566204277 354756915 /nfs/dbraw/zinc/75/69/15/354756915.db2.gz QHFGISWMELVABO-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C[C@H]21 ZINC000566206487 354757328 /nfs/dbraw/zinc/75/73/28/354757328.db2.gz BZJNEURIMFURTA-LPWJVIDDSA-N 2 0 294.399 -0.560 20 0 CBADRP COC[C@@]1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]C1 ZINC000566206140 354757561 /nfs/dbraw/zinc/75/75/61/354757561.db2.gz QPVXYRAGKBTWPF-NTZNESFSSA-N 2 0 253.346 -0.710 20 0 CBADRP [NH3+]C[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000566244670 354759132 /nfs/dbraw/zinc/75/91/32/354759132.db2.gz OSWTYHNXNXURKD-LBPRGKRZSA-N 3 0 254.378 -0.521 20 0 CBADRP C[C@]1(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000566317413 354762235 /nfs/dbraw/zinc/76/22/35/354762235.db2.gz NUVCFCBATAHTJW-MNOVXSKESA-N 2 0 261.391 -0.391 20 0 CBADRP C[C@]1(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000566317414 354762563 /nfs/dbraw/zinc/76/25/63/354762563.db2.gz NUVCFCBATAHTJW-QWRGUYRKSA-N 2 0 261.391 -0.391 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000566507997 354770063 /nfs/dbraw/zinc/77/00/63/354770063.db2.gz PVQKZXJLKMMGAX-WCABBAIRSA-N 2 0 266.349 -0.647 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000566510016 354770166 /nfs/dbraw/zinc/77/01/66/354770166.db2.gz ZIOKEEBWPUHPFM-RYUDHWBXSA-N 2 0 270.377 -0.506 20 0 CBADRP COC[C@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000566620231 354771678 /nfs/dbraw/zinc/77/16/78/354771678.db2.gz TUBPSHUDIKMZSN-CHWSQXEVSA-N 2 0 260.378 -0.180 20 0 CBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NCC[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000566572196 354771790 /nfs/dbraw/zinc/77/17/90/354771790.db2.gz AHIIZLSDSJAQEN-WOPDTQHZSA-N 2 0 295.387 -0.918 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000566621563 354772079 /nfs/dbraw/zinc/77/20/79/354772079.db2.gz GSQGPLGSJTZPNL-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])nn1 ZINC000566748481 354774559 /nfs/dbraw/zinc/77/45/59/354774559.db2.gz KXUAMBMHMYUXGY-NXEZZACHSA-N 2 0 266.349 -0.516 20 0 CBADRP C[C@H](CNC(=O)CCOC1C[NH2+]C1)[NH+]1CCCC1 ZINC000566854239 354776031 /nfs/dbraw/zinc/77/60/31/354776031.db2.gz ZIOUWBIQFOTHGK-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000567096268 354780643 /nfs/dbraw/zinc/78/06/43/354780643.db2.gz LESFQKBCMYEMDS-XBFCOCLRSA-N 2 0 295.431 -0.247 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000567102874 354780689 /nfs/dbraw/zinc/78/06/89/354780689.db2.gz DIUCWBWJPMTABN-IFWUJCSASA-N 2 0 266.389 -0.334 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(C(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000567109382 354781581 /nfs/dbraw/zinc/78/15/81/354781581.db2.gz CIUMMZPRQDWFHF-RYUDHWBXSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]CC[C@H]1CCCN(C(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000567109380 354781587 /nfs/dbraw/zinc/78/15/87/354781587.db2.gz CIUMMZPRQDWFHF-NEPJUHHUSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@]1(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC[NH2+]C1 ZINC000567110362 354781618 /nfs/dbraw/zinc/78/16/18/354781618.db2.gz AROPHKQOHBZBJK-OCCSQVGLSA-N 3 0 268.405 -0.227 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000567112002 354781626 /nfs/dbraw/zinc/78/16/26/354781626.db2.gz JJBQLHCRHIUHHY-DTWKUNHWSA-N 2 0 257.334 -0.476 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[NH2+]C1CC1 ZINC000567231601 354783268 /nfs/dbraw/zinc/78/32/68/354783268.db2.gz HOILWAVZRJROED-LLVKDONJSA-N 2 0 268.361 -0.806 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CC[NH2+]C1CC1 ZINC000567248507 354784184 /nfs/dbraw/zinc/78/41/84/354784184.db2.gz FMCHGSKSWFKALC-GFCCVEGCSA-N 2 0 282.388 -0.416 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC[N@H+]1CC=CCC1 ZINC000567468942 354788882 /nfs/dbraw/zinc/78/88/82/354788882.db2.gz IECWWAPQVJOVHP-ZDUSSCGKSA-N 2 0 294.399 -0.377 20 0 CBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)[C@@H]2C1 ZINC000565255783 354735178 /nfs/dbraw/zinc/73/51/78/354735178.db2.gz UPHVZUMVDOKGGB-SDDRHHMPSA-N 2 0 280.372 -0.983 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000565419925 354737602 /nfs/dbraw/zinc/73/76/02/354737602.db2.gz MWWZOXIFNQBWSG-RYUDHWBXSA-N 2 0 282.388 -0.748 20 0 CBADRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000565599313 354742233 /nfs/dbraw/zinc/74/22/33/354742233.db2.gz YSTHXGJUQKBDCN-ZDUSSCGKSA-N 3 0 268.405 -0.260 20 0 CBADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000565707715 354743933 /nfs/dbraw/zinc/74/39/33/354743933.db2.gz OJGPVBSWIXJZBY-UHFFFAOYSA-N 2 0 294.355 -0.742 20 0 CBADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)[C@@H]2C1 ZINC000567582940 354790479 /nfs/dbraw/zinc/79/04/79/354790479.db2.gz DYVIFITXOVVMIH-ZNMIVQPWSA-N 2 0 292.427 -0.071 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000567817158 354798883 /nfs/dbraw/zinc/79/88/83/354798883.db2.gz UUTWASZUDMCZLK-GHMZBOCLSA-N 2 0 253.346 -0.567 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000567822130 354799226 /nfs/dbraw/zinc/79/92/26/354799226.db2.gz YBHPJFOBXJQWAZ-XQQFMLRXSA-N 2 0 283.420 -0.199 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000567838607 354801023 /nfs/dbraw/zinc/80/10/23/354801023.db2.gz MJWAIYVULUUPEV-QWRGUYRKSA-N 2 0 278.360 -0.488 20 0 CBADRP [NH3+]CCC1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000567904671 354804388 /nfs/dbraw/zinc/80/43/88/354804388.db2.gz HLWZPDKIZNBASQ-GDNZZTSVSA-N 2 0 252.362 -0.025 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000567910634 354804799 /nfs/dbraw/zinc/80/47/99/354804799.db2.gz AKYMSKJUSAWZKU-YPMHNXCESA-N 2 0 282.388 -0.561 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000568293574 354821376 /nfs/dbraw/zinc/82/13/76/354821376.db2.gz BDXFCFUZNKBTIC-LBPRGKRZSA-N 2 0 282.388 -0.545 20 0 CBADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000568371587 354822183 /nfs/dbraw/zinc/82/21/83/354822183.db2.gz LGEQQXOPYWJGAU-VXGBXAGGSA-N 2 0 297.403 -0.765 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000568371586 354822341 /nfs/dbraw/zinc/82/23/41/354822341.db2.gz LGEQQXOPYWJGAU-RYUDHWBXSA-N 2 0 297.403 -0.765 20 0 CBADRP C[NH2+][C@@H](C(=O)N1CCC[C@H]([NH2+]C)C1)c1cnn(C)c1 ZINC000568508767 354825657 /nfs/dbraw/zinc/82/56/57/354825657.db2.gz PPCWIMRSOLKTIH-NWDGAFQWSA-N 2 0 265.361 -0.109 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000567735447 354795559 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C[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C1(CN)CCC1 ZINC000569002593 354836835 /nfs/dbraw/zinc/83/68/35/354836835.db2.gz DWXZMBSZZZUQAA-GFCCVEGCSA-N 2 0 268.405 -0.003 20 0 CBADRP C[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1(CN)CCC1 ZINC000569002594 354837510 /nfs/dbraw/zinc/83/75/10/354837510.db2.gz DWXZMBSZZZUQAA-LBPRGKRZSA-N 2 0 268.405 -0.003 20 0 CBADRP C[NH+](C)C1CCN(CC[NH2+]CCC(=O)NC(N)=O)CC1 ZINC000569214685 354840271 /nfs/dbraw/zinc/84/02/71/354840271.db2.gz ZAPCRJZQSTZDHC-UHFFFAOYSA-N 2 0 285.392 -0.813 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000569809889 354847237 /nfs/dbraw/zinc/84/72/37/354847237.db2.gz BFVFLFRMDFFICA-AVGNSLFASA-N 2 0 296.415 -0.075 20 0 CBADRP CCS(=O)(=O)C[C@H](C)N(C)CCN1CC[NH2+]CC1 ZINC000569928412 354849780 /nfs/dbraw/zinc/84/97/80/354849780.db2.gz QGOHAMVDJUZDEZ-LBPRGKRZSA-N 2 0 277.434 -0.353 20 0 CBADRP CCOC[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000569960520 354850595 /nfs/dbraw/zinc/85/05/95/354850595.db2.gz KQPQTRHSJJFPGF-CHWSQXEVSA-N 2 0 287.404 -0.439 20 0 CBADRP O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N1CC[NH2+]CC1 ZINC000569957268 354850725 /nfs/dbraw/zinc/85/07/25/354850725.db2.gz UTNOPWCGAPGBGW-IACUBPJLSA-N 2 0 279.384 -0.035 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000569967542 354851411 /nfs/dbraw/zinc/85/14/11/354851411.db2.gz UGPXHNUOUBKZGT-RYUDHWBXSA-N 2 0 255.362 -0.225 20 0 CBADRP CN(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000570147559 354855919 /nfs/dbraw/zinc/85/59/19/354855919.db2.gz LPKZFEKSDIZYIX-XBFCOCLRSA-N 2 0 296.415 -0.023 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000570206471 354856267 /nfs/dbraw/zinc/85/62/67/354856267.db2.gz MYFLEAMVRXBZEF-SNVBAGLBSA-N 2 0 256.350 -0.996 20 0 CBADRP CN(C)C(=O)[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCN1 ZINC000570332974 354859767 /nfs/dbraw/zinc/85/97/67/354859767.db2.gz FUJAZFANRMJHGV-GFCCVEGCSA-N 2 0 254.378 -0.652 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000570449384 354862347 /nfs/dbraw/zinc/86/23/47/354862347.db2.gz ZSRPEMUZNXLPKY-ZJUUUORDSA-N 2 0 259.350 -0.099 20 0 CBADRP CN1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000570568705 354865080 /nfs/dbraw/zinc/86/50/80/354865080.db2.gz DWTTZWXEWQXIGO-VXGBXAGGSA-N 2 0 254.378 -0.523 20 0 CBADRP O=C(N1CC[NH2+]CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000570632180 354865963 /nfs/dbraw/zinc/86/59/63/354865963.db2.gz DRIOCZNIHRAOBJ-UHFFFAOYSA-N 2 0 263.345 -0.606 20 0 CBADRP O[C@H]1COCC[NH+](CCCC[N@H+]2CCOC[C@H](O)C2)C1 ZINC000572031158 354885281 /nfs/dbraw/zinc/88/52/81/354885281.db2.gz DAKYJKMATNOUGX-ZIAGYGMSSA-N 2 0 288.388 -0.847 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000572112228 354886079 /nfs/dbraw/zinc/88/60/79/354886079.db2.gz WJUVOUTZONGAKK-CHWSQXEVSA-N 2 0 294.399 -0.497 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000572119418 354886367 /nfs/dbraw/zinc/88/63/67/354886367.db2.gz KNFPQBCEMAOWTF-SDDRHHMPSA-N 2 0 282.388 -0.702 20 0 CBADRP CC(C)[C@H](O)C1(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000572040055 354886578 /nfs/dbraw/zinc/88/65/78/354886578.db2.gz YXARBYXFRKJPHT-GJZGRUSLSA-N 2 0 299.459 -0.019 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](C[C@@H](C)O)C[C@H]1C ZINC000572254787 354889031 /nfs/dbraw/zinc/88/90/31/354889031.db2.gz ZGKSXKMKRCQTNS-MCIONIFRSA-N 2 0 273.421 -0.314 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC000572287782 354890001 /nfs/dbraw/zinc/89/00/01/354890001.db2.gz LRMOVLFTQOTAJY-DZGCQCFKSA-N 2 0 280.416 -0.118 20 0 CBADRP C[NH2+][C@@H](C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000572256528 354890573 /nfs/dbraw/zinc/89/05/73/354890573.db2.gz OORQZQFBOBPFLI-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CN1CCN(C(=O)NCC2(C)CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000572347737 354891134 /nfs/dbraw/zinc/89/11/34/354891134.db2.gz MQWVXGDKRLBBJT-GFCCVEGCSA-N 2 0 283.420 -0.340 20 0 CBADRP C[C@@H]1C[C@H](C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC[NH2+]1 ZINC000572498227 354893102 /nfs/dbraw/zinc/89/31/02/354893102.db2.gz MJWSVLXZXXXQBK-LPWJVIDDSA-N 3 0 266.389 -0.382 20 0 CBADRP C[C@@H]1C[C@H](C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[NH2+]1 ZINC000572498225 354893638 /nfs/dbraw/zinc/89/36/38/354893638.db2.gz MJWSVLXZXXXQBK-FDYHWXHSSA-N 3 0 266.389 -0.382 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000572721828 354895640 /nfs/dbraw/zinc/89/56/40/354895640.db2.gz GSQIQPDQAWSFBC-STQMWFEESA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000572721827 354895854 /nfs/dbraw/zinc/89/58/54/354895854.db2.gz GSQIQPDQAWSFBC-QWHCGFSZSA-N 2 0 268.405 -0.133 20 0 CBADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC(=O)N1CC[NH2+]CC1 ZINC000572749319 354896611 /nfs/dbraw/zinc/89/66/11/354896611.db2.gz UWLXICBIALVQQO-DZGCQCFKSA-N 2 0 290.411 -0.034 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC[NH2+]1 ZINC000572839674 354899346 /nfs/dbraw/zinc/89/93/46/354899346.db2.gz ZGSZGJDUIQOADX-MELADBBJSA-N 2 0 280.416 -0.119 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000572999721 354902842 /nfs/dbraw/zinc/90/28/42/354902842.db2.gz WECBNVDOIHSAEP-TUAOUCFPSA-N 2 0 282.388 -0.560 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000573204210 354906635 /nfs/dbraw/zinc/90/66/35/354906635.db2.gz OINHDHZGMSOPBW-JQWIXIFHSA-N 2 0 253.346 -0.425 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000573221580 354907626 /nfs/dbraw/zinc/90/76/26/354907626.db2.gz IYUHWSSYMPDEAV-UHFFFAOYSA-N 2 0 258.366 -0.748 20 0 CBADRP C[C@@H]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000573443318 354912902 /nfs/dbraw/zinc/91/29/02/354912902.db2.gz HBHQVZGBXCDINC-UPJWGTAASA-N 2 0 296.415 -0.312 20 0 CBADRP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]CCC(N)=O ZINC000571874836 354882067 /nfs/dbraw/zinc/88/20/67/354882067.db2.gz FOTIFSTZYBDGJF-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP COC(=O)CC1([NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000571885948 354882522 /nfs/dbraw/zinc/88/25/22/354882522.db2.gz BUNLHQGZMVTHQE-LLVKDONJSA-N 2 0 283.372 -0.131 20 0 CBADRP [NH3+][C@H]1CCc2nc(NC(=O)COC3C[NH2+]C3)sc2C1 ZINC000573917738 354924222 /nfs/dbraw/zinc/92/42/22/354924222.db2.gz DQEDSMMRBSXTEJ-ZETCQYMHSA-N 2 0 282.369 -0.114 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000579005085 354960270 /nfs/dbraw/zinc/96/02/70/354960270.db2.gz BJZIONHRGORGQG-UTUOFQBUSA-N 2 0 292.387 -0.113 20 0 CBADRP CN1CCN(C(=O)N[C@H]2CCSC2)[C@H](C[NH3+])C1 ZINC000574059532 354927296 /nfs/dbraw/zinc/92/72/96/354927296.db2.gz HRDGDJGJFIEQHB-VHSXEESVSA-N 2 0 258.391 -0.224 20 0 CBADRP CN1CCN(C(=O)CCCN2C(=O)CCC2=O)[C@@H](C[NH3+])C1 ZINC000574079150 354928144 /nfs/dbraw/zinc/92/81/44/354928144.db2.gz KDVDLWYAHCVWRV-NSHDSACASA-N 2 0 296.371 -0.983 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000575138775 354934572 /nfs/dbraw/zinc/93/45/72/354934572.db2.gz MLBZBYABJFVJJB-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH+](C)CCCN1C(=O)C[C@H]([NH2+]CC2(O)CCCC2)C1=O ZINC000577645941 354938237 /nfs/dbraw/zinc/93/82/37/354938237.db2.gz AQFWRHBDGULHJO-LBPRGKRZSA-N 2 0 297.399 -0.040 20 0 CBADRP C[C@H](CCCC[NH3+])NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000578454285 354946899 /nfs/dbraw/zinc/94/68/99/354946899.db2.gz VSYARZLHBSRSSU-UTUOFQBUSA-N 2 0 297.403 -0.543 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000578452271 354946924 /nfs/dbraw/zinc/94/69/24/354946924.db2.gz FUGAHUKLIVABKB-LBPRGKRZSA-N 2 0 256.394 -0.310 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000578866158 354956371 /nfs/dbraw/zinc/95/63/71/354956371.db2.gz JWEPOXCCNKLMAO-JGVFFNPUSA-N 2 0 279.287 -0.620 20 0 CBADRP CO[C@@H]1CCN(CCC(=O)N2CCN(C)CC2)[C@@H](C[NH3+])C1 ZINC000578867981 354956681 /nfs/dbraw/zinc/95/66/81/354956681.db2.gz JWEXCIQSSSISQJ-ZIAGYGMSSA-N 3 0 298.431 -0.411 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000578890275 354957097 /nfs/dbraw/zinc/95/70/97/354957097.db2.gz IEFRSDCQWNIPOZ-WOPDTQHZSA-N 2 0 255.362 -0.131 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC000578890934 354957164 /nfs/dbraw/zinc/95/71/64/354957164.db2.gz YKPIQMRFTMOSID-NSHDSACASA-N 2 0 253.346 -0.199 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000578887214 354957270 /nfs/dbraw/zinc/95/72/70/354957270.db2.gz OHRCSVNTSLCVPR-CHWSQXEVSA-N 2 0 287.404 -0.441 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000573684884 354918950 /nfs/dbraw/zinc/91/89/50/354918950.db2.gz PXLZZELUGDCNOT-SKDRFNHKSA-N 2 0 257.334 -0.490 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC000579477541 354971539 /nfs/dbraw/zinc/97/15/39/354971539.db2.gz IRYARYZAOIVOAL-PHIMTYICSA-N 2 0 255.362 -0.313 20 0 CBADRP Cn1cncc1CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000579758128 354978433 /nfs/dbraw/zinc/97/84/33/354978433.db2.gz FSSAJIGSVKMGEQ-UHFFFAOYSA-N 2 0 281.404 -0.086 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000579828685 354980164 /nfs/dbraw/zinc/98/01/64/354980164.db2.gz JOUBJVHBRUEQIN-VXGBXAGGSA-N 2 0 256.394 -0.264 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000579837485 354980721 /nfs/dbraw/zinc/98/07/21/354980721.db2.gz FNOWHRBIGLXMLE-NXEZZACHSA-N 2 0 258.366 -0.752 20 0 CBADRP [NH3+][C@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C1CC1 ZINC000579835052 354980808 /nfs/dbraw/zinc/98/08/08/354980808.db2.gz BHBNHGKSPZJKAK-GHMZBOCLSA-N 2 0 278.360 -0.503 20 0 CBADRP CO[C@@H]1CCN(C(=O)CCOC2C[NH2+]C2)[C@H](C[NH3+])C1 ZINC000579946030 354983029 /nfs/dbraw/zinc/98/30/29/354983029.db2.gz MENYVISKJPQQSH-WDEREUQCSA-N 2 0 271.361 -0.670 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000420027334 295894493 /nfs/dbraw/zinc/89/44/93/295894493.db2.gz KVHCWFZCYJMPLF-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)N1CCN(C)CC1 ZINC000581012799 355003312 /nfs/dbraw/zinc/00/33/12/355003312.db2.gz VPXNITHJOXJSBT-HIFRSBDPSA-N 2 0 280.416 -0.166 20 0 CBADRP C[N@@H+]1CCN(CC[NH2+]C[C@H](O)Cn2cccn2)CC1(C)C ZINC000580064584 354987209 /nfs/dbraw/zinc/98/72/09/354987209.db2.gz LGFZRIWKBGBNQX-AWEZNQCLSA-N 2 0 295.431 -0.140 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000580098021 354988686 /nfs/dbraw/zinc/98/86/86/354988686.db2.gz WTZBHCZQZJRXMY-AGIUHOORSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000580201230 354990955 /nfs/dbraw/zinc/99/09/55/354990955.db2.gz CJCAJVGODMKEOS-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000580323836 354993874 /nfs/dbraw/zinc/99/38/74/354993874.db2.gz LRAIGPGNUUYBOW-TUAOUCFPSA-N 2 0 271.409 -0.343 20 0 CBADRP C[C@@H]1C[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC(=O)N1 ZINC000580740422 354996401 /nfs/dbraw/zinc/99/64/01/354996401.db2.gz NSUNMYUZTNGIMY-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP [NH3+]CCOCC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000580715033 354996861 /nfs/dbraw/zinc/99/68/61/354996861.db2.gz WODQBTVBCGGTHF-LBPRGKRZSA-N 3 0 257.378 -0.351 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000580950117 355001841 /nfs/dbraw/zinc/00/18/41/355001841.db2.gz HJFKNHPHEQLUKT-NSHDSACASA-N 2 0 296.375 -0.923 20 0 CBADRP CO[C@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C[NH3+])C1 ZINC000580946828 355001869 /nfs/dbraw/zinc/00/18/69/355001869.db2.gz BPHKXVNOGCTSFX-WISYIIOYSA-N 2 0 255.362 -0.193 20 0 CBADRP C[C@@H](NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)[C@H](C)[NH3+] ZINC000584589972 355033014 /nfs/dbraw/zinc/03/30/14/355033014.db2.gz DOHDNVVPFIDPIV-AEJSXWLSSA-N 2 0 266.349 -0.504 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)C2(OC)CC[NH2+]CC2)C1 ZINC000584599518 355033022 /nfs/dbraw/zinc/03/30/22/355033022.db2.gz ZSTONWRTNPPOHN-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000584589973 355033038 /nfs/dbraw/zinc/03/30/38/355033038.db2.gz DOHDNVVPFIDPIV-GUBZILKMSA-N 2 0 266.349 -0.504 20 0 CBADRP C[C@@H]1CN(C(=O)COC2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000584779071 355037170 /nfs/dbraw/zinc/03/71/70/355037170.db2.gz OTWWVTVNNHDHNZ-PHIMTYICSA-N 2 0 255.362 -0.036 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000584779615 355037408 /nfs/dbraw/zinc/03/74/08/355037408.db2.gz YBFJPBGYYNKWTO-RWMBFGLXSA-N 2 0 291.351 -0.170 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000584871588 355040931 /nfs/dbraw/zinc/04/09/31/355040931.db2.gz HZLLJKPJOVOBFT-SMDDNHRTSA-N 2 0 282.388 -0.411 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000581365269 355005368 /nfs/dbraw/zinc/00/53/68/355005368.db2.gz KVXYUJROFVDNBB-HOTGVXAUSA-N 3 0 298.475 -0.084 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)c1cccs1 ZINC000582231600 355010433 /nfs/dbraw/zinc/01/04/33/355010433.db2.gz SZYNRCHSGVSYSS-SNVBAGLBSA-N 2 0 296.396 -0.445 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)c1cccs1 ZINC000582231599 355010753 /nfs/dbraw/zinc/01/07/53/355010753.db2.gz SZYNRCHSGVSYSS-JTQLQIEISA-N 2 0 296.396 -0.445 20 0 CBADRP CC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000582237826 355012013 /nfs/dbraw/zinc/01/20/13/355012013.db2.gz AOTGVWZHVJYUJO-GHMZBOCLSA-N 2 0 270.377 -0.573 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)CC[NH2+]C1CC1 ZINC000582250895 355012110 /nfs/dbraw/zinc/01/21/10/355012110.db2.gz GNIHSQONLQWCGE-CYBMUJFWSA-N 2 0 296.415 -0.025 20 0 CBADRP C[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000582296075 355012530 /nfs/dbraw/zinc/01/25/30/355012530.db2.gz ODFNSKWFGHEMDZ-QJPTWQEYSA-N 2 0 255.362 -0.131 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CCC([NH+](C)CCO)CC1 ZINC000582309135 355013914 /nfs/dbraw/zinc/01/39/14/355013914.db2.gz OTPIRYMTVIOJEC-CQSZACIVSA-N 2 0 273.421 -0.313 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CCC([NH+](C)CCO)CC1 ZINC000582309134 355014203 /nfs/dbraw/zinc/01/42/03/355014203.db2.gz OTPIRYMTVIOJEC-AWEZNQCLSA-N 2 0 273.421 -0.313 20 0 CBADRP CCC[C@@H]1CN(C(=O)[C@@H](C[NH3+])OC)CC[N@@H+]1CCOC ZINC000583633819 355022081 /nfs/dbraw/zinc/02/20/81/355022081.db2.gz YCLKIDPREAJQFE-CHWSQXEVSA-N 2 0 287.404 -0.081 20 0 CBADRP CC(C)OC(=O)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000583867112 355022928 /nfs/dbraw/zinc/02/29/28/355022928.db2.gz SDIBWTCYWQZDGF-CYBMUJFWSA-N 2 0 287.404 -0.474 20 0 CBADRP [NH3+][C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000583870663 355022955 /nfs/dbraw/zinc/02/29/55/355022955.db2.gz JYIUVKQWSSYJOD-CHWSQXEVSA-N 2 0 290.367 -0.329 20 0 CBADRP Cc1noc(CCCN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)n1 ZINC000583883019 355024543 /nfs/dbraw/zinc/02/45/43/355024543.db2.gz CMTHMFVKZIZXSY-MNOVXSKESA-N 2 0 279.344 -0.446 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000583992354 355026439 /nfs/dbraw/zinc/02/64/39/355026439.db2.gz GJDLEHJXIWNEMC-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]CCC(=O)NC(N)=O)C2)CC1 ZINC000591736962 355112051 /nfs/dbraw/zinc/11/20/51/355112051.db2.gz VXPKMLJZTOUNHZ-LLVKDONJSA-N 2 0 297.403 -0.671 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000591893065 355115781 /nfs/dbraw/zinc/11/57/81/355115781.db2.gz QJUZWGMQXSJRTO-SRVKXCTJSA-N 2 0 283.372 -0.133 20 0 CBADRP Cn1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000591287088 355093413 /nfs/dbraw/zinc/09/34/13/355093413.db2.gz JMORISXXOBONNV-UHFFFAOYSA-N 2 0 267.377 -0.015 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000592547621 355161120 /nfs/dbraw/zinc/16/11/20/355161120.db2.gz IGSSYSKPXAZZCM-GHMZBOCLSA-N 2 0 269.345 -0.508 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CC1([NH3+])CCC1 ZINC000592546633 355161169 /nfs/dbraw/zinc/16/11/69/355161169.db2.gz BRHVCXKUMLOTGK-SNVBAGLBSA-N 2 0 269.345 -0.379 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000592553402 355162824 /nfs/dbraw/zinc/16/28/24/355162824.db2.gz KRASXQZJKDCQSW-AEJSXWLSSA-N 2 0 257.334 -0.667 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CCCC[NH3+] ZINC000592555186 355163646 /nfs/dbraw/zinc/16/36/46/355163646.db2.gz PLMJVUKESIDEGT-JTQLQIEISA-N 2 0 257.334 -0.521 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181778 355136836 /nfs/dbraw/zinc/13/68/36/355136836.db2.gz HUYAXGZXNROTGI-UHFFFAOYSA-N 2 0 298.387 -0.371 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000592293094 355146274 /nfs/dbraw/zinc/14/62/74/355146274.db2.gz QZDKYUWMWYBWTE-VHSXEESVSA-N 2 0 257.334 -0.475 20 0 CBADRP CC[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])CC(=O)OC)CC1 ZINC000592303109 355147545 /nfs/dbraw/zinc/14/75/45/355147545.db2.gz DCWQEFKASAUILA-NSHDSACASA-N 2 0 271.361 -0.275 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1CC1CC[NH2+]CC1 ZINC000592433222 355153646 /nfs/dbraw/zinc/15/36/46/355153646.db2.gz BXYKIXXIGSIKFA-GFCCVEGCSA-N 2 0 255.362 -0.177 20 0 CBADRP NC(=O)NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000592490453 355158268 /nfs/dbraw/zinc/15/82/68/355158268.db2.gz QFOQKQFHEHBQLC-JTQLQIEISA-N 2 0 254.334 -0.497 20 0 CBADRP NC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492181 355158388 /nfs/dbraw/zinc/15/83/88/355158388.db2.gz USCZOBZLSOQNEY-QWRGUYRKSA-N 2 0 268.361 -0.107 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000592964926 355188168 /nfs/dbraw/zinc/18/81/68/355188168.db2.gz UFZCWGAJBAFESG-LLVKDONJSA-N 2 0 271.361 -0.308 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000593908087 355228418 /nfs/dbraw/zinc/22/84/18/355228418.db2.gz YBJYUNCKMUDGRY-TUAOUCFPSA-N 2 0 283.372 -0.133 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593911605 355229359 /nfs/dbraw/zinc/22/93/59/355229359.db2.gz HLOIWDJBNRZCRY-KWBADKCTSA-N 2 0 269.345 -0.536 20 0 CBADRP NC(=O)NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000593731549 355217203 /nfs/dbraw/zinc/21/72/03/355217203.db2.gz ZTQFUZVFIBEFAB-QJPTWQEYSA-N 2 0 298.387 -0.068 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC[N@@H+]1C ZINC000594877967 355266870 /nfs/dbraw/zinc/26/68/70/355266870.db2.gz ITOWAGBRVOUPGX-KXNHARMFSA-N 2 0 280.372 -0.903 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[N@@H+]1C ZINC000594877968 355266967 /nfs/dbraw/zinc/26/69/67/355266967.db2.gz ITOWAGBRVOUPGX-WRWGMCAJSA-N 2 0 280.372 -0.903 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594880427 355268099 /nfs/dbraw/zinc/26/80/99/355268099.db2.gz MNRBRGSKCFSAES-FIQHERPVSA-N 2 0 280.372 -0.868 20 0 CBADRP CC(C)[C@H]([NH3+])CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594880562 355268242 /nfs/dbraw/zinc/26/82/42/355268242.db2.gz UVVOHJPEBMCGKB-GMTAPVOTSA-N 2 0 268.361 -0.870 20 0 CBADRP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)C1=O ZINC000595890184 355314258 /nfs/dbraw/zinc/31/42/58/355314258.db2.gz ZGIGBTPSDSFMBQ-WOPDTQHZSA-N 2 0 283.372 -0.181 20 0 CBADRP COC(=O)CCN1CC[C@H]([NH+]2CCC(C[NH3+])CC2)C1=O ZINC000595891587 355314339 /nfs/dbraw/zinc/31/43/39/355314339.db2.gz ICIOVEKZGYXYKR-LBPRGKRZSA-N 2 0 283.372 -0.179 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CCC(=O)OC)C1 ZINC000595944525 355324312 /nfs/dbraw/zinc/32/43/12/355324312.db2.gz MDEGUYFSPSDXFE-GHMZBOCLSA-N 2 0 271.361 -0.133 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000595949964 355325704 /nfs/dbraw/zinc/32/57/04/355325704.db2.gz HTPNILDATKWICI-OPRDCNLKSA-N 2 0 255.318 -0.913 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CC1([NH3+])CC1 ZINC000595951588 355326601 /nfs/dbraw/zinc/32/66/01/355326601.db2.gz SCCVLEMNDKWSPJ-VIFPVBQESA-N 2 0 255.318 -0.769 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCCC[NH2+]C3)CCN2C1=O ZINC000595266667 355276206 /nfs/dbraw/zinc/27/62/06/355276206.db2.gz AZIDNSLNVKFLBQ-QJPTWQEYSA-N 2 0 295.387 -0.918 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595268497 355277115 /nfs/dbraw/zinc/27/71/15/355277115.db2.gz VMJCKACJRIHOJN-USZNOCQGSA-N 2 0 295.387 -0.933 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCC3([NH3+])CCCC3)CCN2C1=O ZINC000595270838 355277177 /nfs/dbraw/zinc/27/71/77/355277177.db2.gz MMYZJOGZIZYCSC-GHMZBOCLSA-N 2 0 295.387 -0.789 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CCCC[NH2+]3)CCN2C1=O ZINC000595267900 355277181 /nfs/dbraw/zinc/27/71/81/355277181.db2.gz PCUCCILNFKMYLG-IJLUTSLNSA-N 2 0 295.387 -0.918 20 0 CBADRP COC(=O)CCN1CC[C@H]([NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000595294263 355279993 /nfs/dbraw/zinc/27/99/93/355279993.db2.gz YHNUIZXMFHTVAY-SRVKXCTJSA-N 2 0 281.356 -0.698 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000596106135 355343709 /nfs/dbraw/zinc/34/37/09/355343709.db2.gz PQPNPZLXTRWLCL-FDYHWXHSSA-N 3 0 266.389 -0.524 20 0 CBADRP COC(=O)CCNC(=O)CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000600708866 355562307 /nfs/dbraw/zinc/56/23/07/355562307.db2.gz HUCRLVLQZIDNFJ-MNOVXSKESA-N 2 0 271.361 -0.227 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000419325982 291068761 /nfs/dbraw/zinc/06/87/61/291068761.db2.gz XVGJHIPEBIIJGN-VHSXEESVSA-N 2 0 282.388 -0.419 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601327533 355586683 /nfs/dbraw/zinc/58/66/83/355586683.db2.gz WDQMJJIWOQIYFJ-GHMZBOCLSA-N 2 0 271.361 -0.466 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000600730891 355563367 /nfs/dbraw/zinc/56/33/67/355563367.db2.gz NTKUDBBUECHQMD-NSHDSACASA-N 2 0 288.392 -0.223 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000600732175 355564354 /nfs/dbraw/zinc/56/43/54/355564354.db2.gz XSUGOTIWAGWJDK-SNVBAGLBSA-N 2 0 286.376 -0.469 20 0 CBADRP C[S@@](=O)C1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC000602488295 355653217 /nfs/dbraw/zinc/65/32/17/355653217.db2.gz TUDDTORPNUHTJB-XAAFQQQXSA-N 2 0 299.440 -0.160 20 0 CBADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000602522675 355656400 /nfs/dbraw/zinc/65/64/00/355656400.db2.gz FVDJWXVTPYNERD-SDDRHHMPSA-N 2 0 282.388 -0.480 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000602528990 355658165 /nfs/dbraw/zinc/65/81/65/355658165.db2.gz DJVUCSGHZNRJRX-UWVGGRQHSA-N 2 0 269.345 -0.332 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000602531999 355658167 /nfs/dbraw/zinc/65/81/67/355658167.db2.gz ZALMBINLGHESOC-GHMZBOCLSA-N 2 0 280.372 -0.901 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000602532000 355658271 /nfs/dbraw/zinc/65/82/71/355658271.db2.gz ZALMBINLGHESOC-MNOVXSKESA-N 2 0 280.372 -0.901 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@H]([NH3+])CCSC ZINC000602547594 355659744 /nfs/dbraw/zinc/65/97/44/355659744.db2.gz HVCOQFNXNKIPDD-SNVBAGLBSA-N 2 0 263.407 -0.239 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000601977809 355623685 /nfs/dbraw/zinc/62/36/85/355623685.db2.gz UDQOJZKVJNLXCW-UWVGGRQHSA-N 2 0 271.361 -0.229 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601973999 355623756 /nfs/dbraw/zinc/62/37/56/355623756.db2.gz KOVZWWCZLPNZFN-BREBYQMCSA-N 2 0 269.345 -0.475 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000601977811 355623784 /nfs/dbraw/zinc/62/37/84/355623784.db2.gz UDQOJZKVJNLXCW-ZJUUUORDSA-N 2 0 271.361 -0.229 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000601977745 355623964 /nfs/dbraw/zinc/62/39/64/355623964.db2.gz WDSWWOKWCQKEJU-LEWSCRJBSA-N 2 0 283.372 -0.275 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000612544390 355838912 /nfs/dbraw/zinc/83/89/12/355838912.db2.gz BXROSQDPTXBMDJ-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@]2(C)CC[NH2+]C2)C1 ZINC000612883868 355855050 /nfs/dbraw/zinc/85/50/50/355855050.db2.gz UQGHDXMUKRUEBC-DGCLKSJQSA-N 2 0 270.377 -0.242 20 0 CBADRP C[C@]1(NC(=O)NCC[N@@H+]2CCCOCC2)CC[NH2+]C1 ZINC000612909478 355856833 /nfs/dbraw/zinc/85/68/33/355856833.db2.gz OLODTZSMVZQDCB-ZDUSSCGKSA-N 2 0 270.377 -0.240 20 0 CBADRP COC[C@@]1(CNC(=O)N[C@]2(C)CC[NH2+]C2)CCC[NH2+]1 ZINC000612926941 355857136 /nfs/dbraw/zinc/85/71/36/355857136.db2.gz NVSSHWLSWRZMCE-OLZOCXBDSA-N 2 0 270.377 -0.194 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612987247 355859510 /nfs/dbraw/zinc/85/95/10/355859510.db2.gz NKIXLIMHKPVHMK-GFCCVEGCSA-N 2 0 281.404 -0.667 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612994000 355859578 /nfs/dbraw/zinc/85/95/78/355859578.db2.gz RIJICKDIIVVTRH-NWDGAFQWSA-N 2 0 282.388 -0.194 20 0 CBADRP C[NH+](C)C[C@]1(O)CCCN(C(=O)C2([NH+](C)C)CC2)C1 ZINC000614070488 355934183 /nfs/dbraw/zinc/93/41/83/355934183.db2.gz LZLPIKQSFFDQCE-CYBMUJFWSA-N 2 0 269.389 -0.004 20 0 CBADRP C[NH+](C)C1(C(=O)NCCCNC(=O)C2([NH+](C)C)CC2)CC1 ZINC000614735574 355983512 /nfs/dbraw/zinc/98/35/12/355983512.db2.gz ZLNPVRIBIPONFF-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N[C@@H](CO)C[NH+](C)C)CC1 ZINC000614846444 355989109 /nfs/dbraw/zinc/98/91/09/355989109.db2.gz HPQVHWRGOARURC-CYBMUJFWSA-N 2 0 286.420 -0.947 20 0 CBADRP C[NH+](C)C[C@@H](CO)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000614847454 355989417 /nfs/dbraw/zinc/98/94/17/355989417.db2.gz LQADZCMQGDPYBT-NSHDSACASA-N 2 0 262.313 -0.013 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000614502687 355964174 /nfs/dbraw/zinc/96/41/74/355964174.db2.gz LMGDMRUCEFRKSF-UONOGXRCSA-N 2 0 280.416 -0.023 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+]3CCN2CCC3)CC[N@@H+]1C ZINC000614514885 355967967 /nfs/dbraw/zinc/96/79/67/355967967.db2.gz QKODNHNUHLSRCE-HZSPNIEDSA-N 2 0 280.416 -0.167 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)CC[NH2+]1 ZINC000370093028 291081597 /nfs/dbraw/zinc/08/15/97/291081597.db2.gz HOLUFFMEUJQSGB-IUCAKERBSA-N 2 0 263.345 -0.074 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[NH+](C)C ZINC000617752079 356154740 /nfs/dbraw/zinc/15/47/40/356154740.db2.gz JBCVQJAFNYEPTB-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)[C@H]2C1 ZINC000419911414 283144847 /nfs/dbraw/zinc/14/48/47/283144847.db2.gz BHSRVGKAWONGHD-AVGNSLFASA-N 2 0 294.399 -0.593 20 0 CBADRP CC[NH+](CC)CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618305045 356185155 /nfs/dbraw/zinc/18/51/55/356185155.db2.gz HSHVQFISECBNFB-UHFFFAOYSA-N 2 0 286.420 -0.193 20 0 CBADRP CC1(OCC(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C[NH2+]C1 ZINC000621698849 356281354 /nfs/dbraw/zinc/28/13/54/356281354.db2.gz GYXFWYKHFWIBOG-GXFFZTMASA-N 2 0 253.346 -0.295 20 0 CBADRP CC(C)[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC[NH2+]1 ZINC000621155556 356257255 /nfs/dbraw/zinc/25/72/55/356257255.db2.gz HYSWUVLDEKWQEI-KBPBESRZSA-N 2 0 280.416 -0.167 20 0 CBADRP CC(C)[C@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC[NH2+]1 ZINC000621155557 356258070 /nfs/dbraw/zinc/25/80/70/356258070.db2.gz HYSWUVLDEKWQEI-KGLIPLIRSA-N 2 0 280.416 -0.167 20 0 CBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)[C@H]2C1 ZINC000418677623 283148285 /nfs/dbraw/zinc/14/82/85/283148285.db2.gz UUDOSSXXRBETFT-IEECTRCBSA-N 2 0 264.373 -0.060 20 0 CBADRP CN1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000621624745 356278315 /nfs/dbraw/zinc/27/83/15/356278315.db2.gz WASYUAJZYYOIEN-CHWSQXEVSA-N 2 0 268.405 -0.133 20 0 CBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C[C@@H]1COCC[NH2+]1)C2 ZINC000621683658 356280325 /nfs/dbraw/zinc/28/03/25/356280325.db2.gz YXLCVDYQUCVQEJ-WZRBSPASSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)C2 ZINC000621684856 356280397 /nfs/dbraw/zinc/28/03/97/356280397.db2.gz UNTWASZKMQFHNM-GYSYKLTISA-N 2 0 280.372 -0.806 20 0 CBADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C2 ZINC000621684028 356280599 /nfs/dbraw/zinc/28/05/99/356280599.db2.gz GRRREVNKWJVLCJ-HUBLWGQQSA-N 2 0 294.399 -0.416 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)nn1 ZINC000621682639 356280608 /nfs/dbraw/zinc/28/06/08/356280608.db2.gz JIMZHKQSAMTMJU-GWCFXTLKSA-N 2 0 278.360 -0.420 20 0 CBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C2 ZINC000621684030 356280665 /nfs/dbraw/zinc/28/06/65/356280665.db2.gz GRRREVNKWJVLCJ-XUJVJEKNSA-N 2 0 294.399 -0.416 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621846004 356290287 /nfs/dbraw/zinc/29/02/87/356290287.db2.gz SWAHGPVPLZEWFQ-IUODEOHRSA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CCC(O)CC1 ZINC000622658693 356334858 /nfs/dbraw/zinc/33/48/58/356334858.db2.gz CTGZIUNONGQRLT-UHFFFAOYSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)[C@H](CNc1nc(N)[nH+]c(N)n1)c1ccccc1 ZINC000623793823 356375813 /nfs/dbraw/zinc/37/58/13/356375813.db2.gz VLMLVJWUQDQPJC-SNVBAGLBSA-N 2 0 273.344 -0.167 20 0 CBADRP CC(C)C[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623800290 356376585 /nfs/dbraw/zinc/37/65/85/356376585.db2.gz CNKLFXPXHBYBLE-UHFFFAOYSA-N 2 0 251.338 -0.525 20 0 CBADRP CC(C)[C@@H](CNc1nc(N)[nH+]c(N)n1)[NH+]1CCCC1 ZINC000623833527 356378015 /nfs/dbraw/zinc/37/80/15/356378015.db2.gz KCOCDZDRPRCYBJ-SECBINFHSA-N 2 0 265.365 -0.349 20 0 CBADRP C[N@H+](CCNc1nc(N)[nH+]c(N)n1)C1CCCC1 ZINC000623941239 356384242 /nfs/dbraw/zinc/38/42/42/356384242.db2.gz MPONITKRVVHZME-UHFFFAOYSA-N 2 0 251.338 -0.595 20 0 CBADRP C[C@H](Nc1nc(N)[nH+]c(N)n1)C1CC[NH+](C)CC1 ZINC000623969907 356385476 /nfs/dbraw/zinc/38/54/76/356385476.db2.gz YHQSEUVPHPNFSK-ZETCQYMHSA-N 2 0 251.338 -0.739 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)Nc1nc(N)[nH+]c(N)n1 ZINC000623976731 356386358 /nfs/dbraw/zinc/38/63/58/356386358.db2.gz SWLZZONGIXYPPX-QMMMGPOBSA-N 2 0 251.338 -0.595 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624006392 356388203 /nfs/dbraw/zinc/38/82/03/356388203.db2.gz VTWJVQWJYYMGEK-MRVPVSSYSA-N 2 0 251.338 -0.383 20 0 CBADRP Cn1nccc1S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000624369599 356415004 /nfs/dbraw/zinc/41/50/04/356415004.db2.gz JNRAFVVGJJTFKM-UHFFFAOYSA-N 2 0 275.378 -0.892 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000624386034 356416140 /nfs/dbraw/zinc/41/61/40/356416140.db2.gz YHJZJKPPSBLFCA-ZETCQYMHSA-N 2 0 251.338 -0.597 20 0 CBADRP C[N@@H+]1CCCC[C@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000624536773 356425943 /nfs/dbraw/zinc/42/59/43/356425943.db2.gz BWDUBWVZOHMNDB-MRVPVSSYSA-N 2 0 251.338 -0.738 20 0 CBADRP NC(=O)c1c[nH+]ccc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000624773281 356437988 /nfs/dbraw/zinc/43/79/88/356437988.db2.gz GOOIMBKJXMZVML-VIFPVBQESA-N 2 0 250.302 -0.919 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)NC[C@@H]2COCC[NH2+]2)cn1 ZINC000625865657 356494926 /nfs/dbraw/zinc/49/49/26/356494926.db2.gz XOCZTNLPYVEKOK-GFCCVEGCSA-N 2 0 296.375 -0.445 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)CC1 ZINC000626036766 356502038 /nfs/dbraw/zinc/50/20/38/356502038.db2.gz OIMLICMIZXNCOP-BJHJDKERSA-N 2 0 296.415 -0.217 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000626938005 356558035 /nfs/dbraw/zinc/55/80/35/356558035.db2.gz LROOCKNYRXVPRU-YNEHKIRRSA-N 2 0 282.388 -0.099 20 0 CBADRP C[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CN(C)CCO1 ZINC000627003618 356566024 /nfs/dbraw/zinc/56/60/24/356566024.db2.gz RYDQDIBDSPPNPC-HBNTYKKESA-N 2 0 256.350 -0.633 20 0 CBADRP C[C@H](NC(=O)N(C)CCOCC[NH3+])[C@@H]1CN(C)CCO1 ZINC000627003938 356566063 /nfs/dbraw/zinc/56/60/63/356566063.db2.gz WZMDPLXFESSALI-RYUDHWBXSA-N 2 0 288.392 -0.678 20 0 CBADRP C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H]1CN(C)CCO1 ZINC000627003978 356566232 /nfs/dbraw/zinc/56/62/32/356566232.db2.gz XRQNKJCIZCXPAK-NNYUYHANSA-N 2 0 270.377 -0.245 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)NCC1([NH3+])CCOCC1 ZINC000627036084 356569030 /nfs/dbraw/zinc/56/90/30/356569030.db2.gz RGNDKKQGXNMGTC-JTQLQIEISA-N 2 0 258.366 -0.256 20 0 CBADRP [NH3+]CCNC(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000627065920 356571652 /nfs/dbraw/zinc/57/16/52/356571652.db2.gz HHTOAWLVEVYVFB-CYBMUJFWSA-N 2 0 293.371 -0.460 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000627069691 356572318 /nfs/dbraw/zinc/57/23/18/356572318.db2.gz QXVBTQNMVLFXPZ-NEPJUHHUSA-N 2 0 272.393 -0.090 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCCN1CC[NH2+]CC1)C2 ZINC000627066413 356572565 /nfs/dbraw/zinc/57/25/65/356572565.db2.gz MFCJENKDMMMSKL-GASCZTMLSA-N 2 0 295.431 -0.467 20 0 CBADRP C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000626986166 356563310 /nfs/dbraw/zinc/56/33/10/356563310.db2.gz BGLKDEYKJKMJDT-CHWSQXEVSA-N 2 0 283.420 -0.469 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NCC2([NH3+])CCOCC2)CC[C@H]1F ZINC000627148113 356588753 /nfs/dbraw/zinc/58/87/53/356588753.db2.gz XVSPVRJFCHDSPW-NXEZZACHSA-N 2 0 274.340 -0.425 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627147740 356588882 /nfs/dbraw/zinc/58/88/82/356588882.db2.gz MEQAWIMQCCHTKL-JTQLQIEISA-N 2 0 256.350 -0.373 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)NCC2([NH3+])CCOCC2)[C@H]1C ZINC000627147504 356589042 /nfs/dbraw/zinc/58/90/42/356589042.db2.gz JUBCMLYNQOQPHQ-QWRGUYRKSA-N 2 0 270.377 -0.114 20 0 CBADRP C[NH2+]CCOCCNC(=O)N(C)C1CC[NH2+]CC1 ZINC000627172108 356592998 /nfs/dbraw/zinc/59/29/98/356592998.db2.gz RSGCQZZDPAQKBA-UHFFFAOYSA-N 2 0 258.366 -0.384 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000627171083 356593082 /nfs/dbraw/zinc/59/30/82/356593082.db2.gz QAUWTKSKUHYXIQ-NWDGAFQWSA-N 2 0 270.377 -0.384 20 0 CBADRP C[C@H](NC(=O)NCC[N@@H+]1CC[C@H](O)C1)[C@H]1CCC[NH2+]C1 ZINC000627070435 356573752 /nfs/dbraw/zinc/57/37/52/356573752.db2.gz URYLMNZAZLQEDD-AVGNSLFASA-N 2 0 284.404 -0.260 20 0 CBADRP C[NH2+]CCOCCNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000627073128 356573880 /nfs/dbraw/zinc/57/38/80/356573880.db2.gz KRVBWJXDVSBPRH-NSHDSACASA-N 2 0 258.366 -0.479 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000627075054 356574583 /nfs/dbraw/zinc/57/45/83/356574583.db2.gz YUXNVGXROWIUQI-LLVKDONJSA-N 2 0 258.366 -0.397 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627076958 356575690 /nfs/dbraw/zinc/57/56/90/356575690.db2.gz NRASSESHDUUSNH-MNOVXSKESA-N 2 0 258.366 -0.665 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000627082204 356577537 /nfs/dbraw/zinc/57/75/37/356577537.db2.gz FEWIWROEDFAVMN-GFCCVEGCSA-N 2 0 272.393 -0.138 20 0 CBADRP C[C@@]1(CNC(=O)NC[C@@H]2COCC[NH2+]2)CCC[NH2+]C1 ZINC000627085823 356579221 /nfs/dbraw/zinc/57/92/21/356579221.db2.gz XCJFVTCDFGSLRV-DGCLKSJQSA-N 2 0 270.377 -0.336 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H]1CCC[NH2+]CC1 ZINC000627086066 356579236 /nfs/dbraw/zinc/57/92/36/356579236.db2.gz GCLREBZAAVZKCX-RYUDHWBXSA-N 2 0 270.377 -0.506 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC[NH2+]1 ZINC000627088484 356580541 /nfs/dbraw/zinc/58/05/41/356580541.db2.gz IONBDHMCXBJASR-IJLUTSLNSA-N 2 0 270.377 -0.507 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000627088694 356580831 /nfs/dbraw/zinc/58/08/31/356580831.db2.gz SJHYDBJJNVSPET-QWRGUYRKSA-N 2 0 258.366 -0.480 20 0 CBADRP COC[C@@]1(CNC(=O)N(C)CCOCC[NH3+])CCC[NH2+]1 ZINC000627092091 356581511 /nfs/dbraw/zinc/58/15/11/356581511.db2.gz LETJGHYVOPQOCK-ZDUSSCGKSA-N 2 0 288.392 -0.628 20 0 CBADRP C[C@H](CCCC[NH3+])NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627092426 356581608 /nfs/dbraw/zinc/58/16/08/356581608.db2.gz BXXMANBKMAAHIJ-GHMZBOCLSA-N 2 0 258.366 -0.209 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000627101480 356582759 /nfs/dbraw/zinc/58/27/59/356582759.db2.gz CGEWNCPWZMKGSU-NEPJUHHUSA-N 2 0 272.393 -0.009 20 0 CBADRP O=C(NCCC[C@@H]1CCC[NH2+]1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627100994 356582876 /nfs/dbraw/zinc/58/28/76/356582876.db2.gz VLZOLXZREXPQKH-QWHCGFSZSA-N 2 0 284.404 -0.116 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000627102661 356583693 /nfs/dbraw/zinc/58/36/93/356583693.db2.gz QKXCZDUUJSVUIS-GHMZBOCLSA-N 2 0 256.350 -0.632 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@@H]1C[NH2+]CCO1)C2 ZINC000627103518 356583788 /nfs/dbraw/zinc/58/37/88/356583788.db2.gz LCLAVLMGAVUJMF-FPMFFAJLSA-N 2 0 282.388 -0.384 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000627104045 356583817 /nfs/dbraw/zinc/58/38/17/356583817.db2.gz QKXCZDUUJSVUIS-QWRGUYRKSA-N 2 0 256.350 -0.632 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000627174462 356594605 /nfs/dbraw/zinc/59/46/05/356594605.db2.gz OQQCZNXWCJAOML-QWHCGFSZSA-N 2 0 284.404 -0.042 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627115616 356585904 /nfs/dbraw/zinc/58/59/04/356585904.db2.gz CLXDMJYEXRJOHF-WDEREUQCSA-N 2 0 258.366 -0.353 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000627118874 356586670 /nfs/dbraw/zinc/58/66/70/356586670.db2.gz CUPKEIGKOXTQAH-NSHDSACASA-N 2 0 270.377 -0.336 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CC[NH2+]C12CCC2 ZINC000627126781 356587008 /nfs/dbraw/zinc/58/70/08/356587008.db2.gz LJCHVUCHVAUURL-MNOVXSKESA-N 2 0 268.361 -0.441 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000627135516 356587698 /nfs/dbraw/zinc/58/76/98/356587698.db2.gz YYPPUSHGLVVPHO-LLVKDONJSA-N 2 0 268.361 -0.536 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000627219211 356608012 /nfs/dbraw/zinc/60/80/12/356608012.db2.gz SNULVQRVDGICIW-VXGBXAGGSA-N 2 0 270.377 -0.255 20 0 CBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCCOCCC[NH3+] ZINC000627218676 356608453 /nfs/dbraw/zinc/60/84/53/356608453.db2.gz CIGPPNFMSIUWOJ-MNOVXSKESA-N 2 0 258.366 -0.270 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000627225705 356609283 /nfs/dbraw/zinc/60/92/83/356609283.db2.gz AYULDCRHBKZQEE-SDDRHHMPSA-N 2 0 270.377 -0.162 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627238809 356609966 /nfs/dbraw/zinc/60/99/66/356609966.db2.gz OPMGMUJQKZFMGC-NWDGAFQWSA-N 2 0 272.393 -0.044 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000627241449 356610308 /nfs/dbraw/zinc/61/03/08/356610308.db2.gz GWQVARYVMDSLNW-HOSYDEDBSA-N 2 0 258.366 -0.651 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000627245103 356611347 /nfs/dbraw/zinc/61/13/47/356611347.db2.gz LEUDEJWCVZWURB-HBNTYKKESA-N 2 0 255.366 -0.979 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CCO1 ZINC000627244740 356611403 /nfs/dbraw/zinc/61/14/03/356611403.db2.gz GVOAHODBIZJDHU-MMWGEVLESA-N 2 0 256.350 -0.506 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000627250755 356612825 /nfs/dbraw/zinc/61/28/25/356612825.db2.gz CZTIEBFMYDWUEP-IJLUTSLNSA-N 2 0 270.377 -0.555 20 0 CBADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)N[C@@H]1CC[NH2+]C1 ZINC000627251644 356613838 /nfs/dbraw/zinc/61/38/38/356613838.db2.gz UPBVVNSRENSTFS-VXGBXAGGSA-N 2 0 270.377 -0.506 20 0 CBADRP C[C@@H]1CN(CCO)CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627251846 356613901 /nfs/dbraw/zinc/61/39/01/356613901.db2.gz BRIXSLHVCYWTRZ-GHMZBOCLSA-N 2 0 256.350 -0.944 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000627252091 356613988 /nfs/dbraw/zinc/61/39/88/356613988.db2.gz KJUMUBKPGNTQIZ-VXGBXAGGSA-N 2 0 267.377 -0.963 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627185328 356597177 /nfs/dbraw/zinc/59/71/77/356597177.db2.gz AZWFZXLPGRKHOS-LBPRGKRZSA-N 2 0 270.377 -0.288 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)CC[C@H]1F ZINC000627192054 356603177 /nfs/dbraw/zinc/60/31/77/356603177.db2.gz ZBCLPHHDFKJICP-IVZWLZJFSA-N 2 0 260.313 -0.945 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627204245 356604487 /nfs/dbraw/zinc/60/44/87/356604487.db2.gz CFJNOVKVVVXLFM-RYUDHWBXSA-N 2 0 272.393 -0.260 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)N2CCO[C@H](C[NH3+])C2)C[NH2+]1 ZINC000627205980 356604955 /nfs/dbraw/zinc/60/49/55/356604955.db2.gz FYZQWTWBLCYZIK-OUAUKWLOSA-N 2 0 256.350 -0.504 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)N(C)CCOCC[NH3+])C[NH2+]1 ZINC000627208307 356605756 /nfs/dbraw/zinc/60/57/56/356605756.db2.gz HRHWIHSWTOUEBL-WDEREUQCSA-N 2 0 258.366 -0.256 20 0 CBADRP C[N@H+]1CC=C(CNC(=O)NCCOCCC[NH3+])CC1 ZINC000627215668 356606879 /nfs/dbraw/zinc/60/68/79/356606879.db2.gz ICNQQQFCYDGPCY-UHFFFAOYSA-N 2 0 270.377 -0.087 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000627349571 356630451 /nfs/dbraw/zinc/63/04/51/356630451.db2.gz SCPYJLAAXYTQPN-CMPLNLGQSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627358354 356631633 /nfs/dbraw/zinc/63/16/33/356631633.db2.gz GRALAZAWPNNAKZ-FRRDWIJNSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000627357253 356631745 /nfs/dbraw/zinc/63/17/45/356631745.db2.gz BGIXYSVYUKQRFU-RWMBFGLXSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[N@H+](C)C1CC1 ZINC000627372908 356634752 /nfs/dbraw/zinc/63/47/52/356634752.db2.gz ZUZXZMBYYKIXIR-WOPDTQHZSA-N 2 0 296.415 -0.158 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000627372085 356635019 /nfs/dbraw/zinc/63/50/19/356635019.db2.gz BTIOMUWWSRAWTE-VHSXEESVSA-N 2 0 268.361 -0.937 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000627258201 356616696 /nfs/dbraw/zinc/61/66/96/356616696.db2.gz WOVVWYZDGLJZIQ-CHWSQXEVSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@@H](C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)[NH+](C)C ZINC000627258751 356616720 /nfs/dbraw/zinc/61/67/20/356616720.db2.gz GPFUKRFWVZOCBB-TUAOUCFPSA-N 2 0 255.362 -0.396 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC000627259135 356616747 /nfs/dbraw/zinc/61/67/47/356616747.db2.gz NNMPTVDLKCZYEE-FRRDWIJNSA-N 2 0 267.373 -0.252 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH+]3CC[C@H](O)C3)C2)C1 ZINC000627266796 356617294 /nfs/dbraw/zinc/61/72/94/356617294.db2.gz FWXXBHFQLYGCCQ-MCIONIFRSA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH2+]1 ZINC000627304761 356622791 /nfs/dbraw/zinc/62/27/91/356622791.db2.gz DZEJIAVPZJILGW-LPWJVIDDSA-N 2 0 296.415 -0.158 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000627305300 356623368 /nfs/dbraw/zinc/62/33/68/356623368.db2.gz UGXYBTPQFNTOJY-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000627305301 356623506 /nfs/dbraw/zinc/62/35/06/356623506.db2.gz UGXYBTPQFNTOJY-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000627308095 356623726 /nfs/dbraw/zinc/62/37/26/356623726.db2.gz GNGGYBNJPQMAAK-RWMBFGLXSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)C(=O)NCC[N@H+](C)C2CC2)C[NH2+]1 ZINC000627319018 356625674 /nfs/dbraw/zinc/62/56/74/356625674.db2.gz HRWAKTDDCKVMIN-QWRGUYRKSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000627325440 356626342 /nfs/dbraw/zinc/62/63/42/356626342.db2.gz JYDRLANCCGRDFX-WCFLWFBJSA-N 2 0 294.399 -0.404 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000627325725 356626399 /nfs/dbraw/zinc/62/63/99/356626399.db2.gz SEKWWJCPCCRUOD-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627325805 356626826 /nfs/dbraw/zinc/62/68/26/356626826.db2.gz VCCXMINCMUGFRV-RYUDHWBXSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)C(=O)NCC2([NH+](C)C)CCC2)C[NH2+]1 ZINC000627341960 356629199 /nfs/dbraw/zinc/62/91/99/356629199.db2.gz SJBMKIVSHVMNNS-RYUDHWBXSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)CCC2)C[NH2+]1 ZINC000627341961 356629208 /nfs/dbraw/zinc/62/92/08/356629208.db2.gz SJBMKIVSHVMNNS-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000627425233 356644374 /nfs/dbraw/zinc/64/43/74/356644374.db2.gz IXKCTUYCXQEEAO-JHJVBQTASA-N 2 0 294.399 -0.402 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000627457541 356649188 /nfs/dbraw/zinc/64/91/88/356649188.db2.gz ZLKSRDAYRYYOEU-QWHCGFSZSA-N 2 0 296.415 -0.204 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000627380277 356636387 /nfs/dbraw/zinc/63/63/87/356636387.db2.gz MKDGBNHDCLWVHQ-VXGBXAGGSA-N 2 0 280.372 -0.935 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627389982 356637106 /nfs/dbraw/zinc/63/71/06/356637106.db2.gz XQDFVCJRMIGOAA-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000627398872 356638604 /nfs/dbraw/zinc/63/86/04/356638604.db2.gz YRVBNFHBNCKCKP-IJLUTSLNSA-N 2 0 280.372 -0.793 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627504770 356660346 /nfs/dbraw/zinc/66/03/46/356660346.db2.gz GCJBYFRCIMIXIQ-NEPJUHHUSA-N 2 0 282.388 -0.547 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000627506348 356660891 /nfs/dbraw/zinc/66/08/91/356660891.db2.gz LVAULISYTBEONA-OLZOCXBDSA-N 2 0 294.399 -0.449 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC[C@H]21 ZINC000627505377 356661096 /nfs/dbraw/zinc/66/10/96/356661096.db2.gz LJUNWYRFDXEUEU-JHJVBQTASA-N 2 0 294.399 -0.593 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000627507195 356661811 /nfs/dbraw/zinc/66/18/11/356661811.db2.gz GOKRTOARIIHJPK-CHWSQXEVSA-N 2 0 294.399 -0.591 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC000627476737 356653345 /nfs/dbraw/zinc/65/33/45/356653345.db2.gz KPEBBQITGFWGII-UTUOFQBUSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C[NH2+]1 ZINC000627477418 356653942 /nfs/dbraw/zinc/65/39/42/356653942.db2.gz VMSNZTWVRHHRPZ-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627484269 356655409 /nfs/dbraw/zinc/65/54/09/356655409.db2.gz VELBKBBGLCUGSA-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000627502322 356658975 /nfs/dbraw/zinc/65/89/75/356658975.db2.gz RXDLVGDSVNYBSD-ZDEQEGDKSA-N 2 0 296.415 -0.206 20 0 CBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627502970 356659168 /nfs/dbraw/zinc/65/91/68/356659168.db2.gz VIIIUZPWMSCTBS-YNEHKIRRSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000627502954 356659186 /nfs/dbraw/zinc/65/91/86/356659186.db2.gz UJRNJJNUSPKACK-YVECIDJPSA-N 2 0 296.415 -0.348 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)CC[N@@H+]1C ZINC000628585152 356714160 /nfs/dbraw/zinc/71/41/60/356714160.db2.gz UGWXLRKMZVGDNK-UPJWGTAASA-N 2 0 296.415 -0.217 20 0 CBADRP COc1cncc(CN2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000629537315 356777458 /nfs/dbraw/zinc/77/74/58/356777458.db2.gz OQZZJTPQVIRRQE-ZDUSSCGKSA-N 2 0 277.372 -0.035 20 0 CBADRP O=C(N1CC[NH2+]CC1)N1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000629546608 356778893 /nfs/dbraw/zinc/77/88/93/356778893.db2.gz USBUTILPWJDHBH-CYBMUJFWSA-N 2 0 281.404 -0.761 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCOC2CCOCC2)C1 ZINC000629510205 356774881 /nfs/dbraw/zinc/77/48/81/356774881.db2.gz AVBAIWVBMWZWQL-ZDUSSCGKSA-N 2 0 299.415 -0.031 20 0 CBADRP CO[C@H]1C[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000629614049 356787989 /nfs/dbraw/zinc/78/79/89/356787989.db2.gz XHPLSSCWBRCWHE-AVGNSLFASA-N 2 0 257.378 -0.638 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629654007 356788730 /nfs/dbraw/zinc/78/87/30/356788730.db2.gz SYDSERITRNAYTP-ZJUUUORDSA-N 3 0 265.361 -0.024 20 0 CBADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](CC(N)=O)C2)CC[NH2+]1 ZINC000629666879 356788777 /nfs/dbraw/zinc/78/87/77/356788777.db2.gz RXIYXKPZASEQBW-IJLUTSLNSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](CC(N)=O)C2)CC[NH2+]1 ZINC000629666876 356789154 /nfs/dbraw/zinc/78/91/54/356789154.db2.gz RXIYXKPZASEQBW-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000629793348 356793523 /nfs/dbraw/zinc/79/35/23/356793523.db2.gz GOLIUWVKTAQUEU-GFCCVEGCSA-N 2 0 298.431 -0.018 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000629795960 356794579 /nfs/dbraw/zinc/79/45/79/356794579.db2.gz NJLHONWSIUKCMG-GFCCVEGCSA-N 2 0 282.388 -0.510 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000629804072 356796378 /nfs/dbraw/zinc/79/63/78/356796378.db2.gz SBPVFKHJGCABFV-LBPRGKRZSA-N 2 0 284.404 -0.217 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N(CC)CC[NH3+] ZINC000629801123 356796411 /nfs/dbraw/zinc/79/64/11/356796411.db2.gz BVDAYEPAHYSWHQ-UHFFFAOYSA-N 2 0 286.420 -0.016 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000629812623 356798730 /nfs/dbraw/zinc/79/87/30/356798730.db2.gz SHGBDWXKVQXKTG-LBPRGKRZSA-N 2 0 280.372 -0.734 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC000630093424 356828055 /nfs/dbraw/zinc/82/80/55/356828055.db2.gz NTFKLYXLFYFJGH-GRYCIOLGSA-N 2 0 255.362 -0.179 20 0 CBADRP O[C@H](CNC[C@@H](O)C[NH+]1CCCCC1)C[NH+]1CCCC1 ZINC000629582671 356784171 /nfs/dbraw/zinc/78/41/71/356784171.db2.gz HEVKTVHBCMOTAJ-HUUCEWRRSA-N 2 0 285.432 -0.121 20 0 CBADRP CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000629595369 356785097 /nfs/dbraw/zinc/78/50/97/356785097.db2.gz NMAYHKQFCKAGLH-RYUDHWBXSA-N 2 0 275.418 -0.143 20 0 CBADRP OC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@H]1CCCOC1 ZINC000629598101 356785170 /nfs/dbraw/zinc/78/51/70/356785170.db2.gz WBMZACILBIDCTC-MJBXVCDLSA-N 2 0 272.389 -0.180 20 0 CBADRP CC[C@@H](C(=O)NCCCN1CC[NH2+]CC1)[NH+](C)C ZINC000629610971 356787127 /nfs/dbraw/zinc/78/71/27/356787127.db2.gz KNWXQTGUKRFPBO-LBPRGKRZSA-N 2 0 256.394 -0.262 20 0 CBADRP CO[C@H]1CN(S(=O)(=O)CCC[NH+](C)C)[C@@](C)(C[NH3+])C1 ZINC000630369256 356839562 /nfs/dbraw/zinc/83/95/62/356839562.db2.gz WEWMQBAVIBLYEB-VXGBXAGGSA-N 2 0 293.433 -0.294 20 0 CBADRP C[NH+]1CCN(Cc2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000630604728 356854686 /nfs/dbraw/zinc/85/46/86/356854686.db2.gz VGYSWMXRTDLQBA-LBPRGKRZSA-N 2 0 264.377 -0.223 20 0 CBADRP C[NH+]1CCN(Cc2cn(C[C@@H]3C[NH2+]CCO3)nn2)CC1 ZINC000630615696 356855139 /nfs/dbraw/zinc/85/51/39/356855139.db2.gz BIDFYPBXURKUOI-ZDUSSCGKSA-N 2 0 280.376 -0.986 20 0 CBADRP c1c([C@H]2CCC[NH2+]C2)nnn1C[C@@H]1C[NH2+]CCO1 ZINC000630616686 356856567 /nfs/dbraw/zinc/85/65/67/356856567.db2.gz MRFIXAIRZBWAGH-QWRGUYRKSA-N 2 0 251.334 -0.267 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NCC[N@H+](C)C1CC1 ZINC000631795617 356908240 /nfs/dbraw/zinc/90/82/40/356908240.db2.gz IXBHIJKYKOSJCQ-UHFFFAOYSA-N 2 0 263.407 -0.048 20 0 CBADRP C[C@@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1C[NH3+] ZINC000631841411 356910420 /nfs/dbraw/zinc/91/04/20/356910420.db2.gz KHWLOWQGFXMBSX-NXEZZACHSA-N 2 0 268.361 -0.157 20 0 CBADRP C(CN1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC000631891031 356916703 /nfs/dbraw/zinc/91/67/03/356916703.db2.gz XKZQHBNOWIIGMQ-ZIAGYGMSSA-N 2 0 252.406 -0.035 20 0 CBADRP O=S(=O)(CCC[NH+]1CCCC1)N[C@H]1CC[NH2+]C1 ZINC000631901507 356918218 /nfs/dbraw/zinc/91/82/18/356918218.db2.gz FWQAHTMRJAPAEA-NSHDSACASA-N 2 0 261.391 -0.246 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NC(C)(C)C[NH3+] ZINC000631903361 356918909 /nfs/dbraw/zinc/91/89/09/356918909.db2.gz GQRPTZHSCPULDK-UHFFFAOYSA-N 2 0 264.395 -0.758 20 0 CBADRP C[C@@H]([NH3+])C1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631903950 356919595 /nfs/dbraw/zinc/91/95/95/356919595.db2.gz ZNZOSQCUMFTRGF-PWSUYJOCSA-N 2 0 291.417 -0.636 20 0 CBADRP [NH3+]CC1(NS(=O)(=O)C[C@H]2C[NH2+]CCO2)CCCC1 ZINC000631904323 356919694 /nfs/dbraw/zinc/91/96/94/356919694.db2.gz KRHHSNLGWGWLPT-SNVBAGLBSA-N 2 0 277.390 -0.834 20 0 CBADRP CC(C)C[C@H](C[NH3+])NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631904214 356919785 /nfs/dbraw/zinc/91/97/85/356919785.db2.gz HKSNNJSGQRIZJF-LLVKDONJSA-N 2 0 292.449 -0.122 20 0 CBADRP CC(C)[NH2+]CCCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631903569 356919903 /nfs/dbraw/zinc/91/99/03/356919903.db2.gz MIDRUNMNGHKZRD-UHFFFAOYSA-N 2 0 292.449 -0.107 20 0 CBADRP C[C@@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)[C@@H]1C[NH3+] ZINC000631905501 356920133 /nfs/dbraw/zinc/92/01/33/356920133.db2.gz OPSLJRXITVYARD-GRYCIOLGSA-N 2 0 291.417 -0.636 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631904975 356920176 /nfs/dbraw/zinc/92/01/76/356920176.db2.gz CPBQQSMXJAQXER-SDDRHHMPSA-N 2 0 291.417 -0.636 20 0 CBADRP CC(C)C[C@H](C[NH3+])NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631904816 356920790 /nfs/dbraw/zinc/92/07/90/356920790.db2.gz ZNLIXTHNQJJMSE-GHMZBOCLSA-N 2 0 279.406 -0.732 20 0 CBADRP C[C@H](C[NH3+])CNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631931966 356925377 /nfs/dbraw/zinc/92/53/77/356925377.db2.gz PCWWSANZPXUXDS-GFCCVEGCSA-N 2 0 292.449 -0.862 20 0 CBADRP C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)CCC[NH+](C)C ZINC000631931582 356925429 /nfs/dbraw/zinc/92/54/29/356925429.db2.gz LIEUWGRRJNESPZ-QWRGUYRKSA-N 2 0 263.407 -0.063 20 0 CBADRP C[C@@H]1C[C@@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000631931931 356925524 /nfs/dbraw/zinc/92/55/24/356925524.db2.gz JZWVQABRVYAXLY-VWYCJHECSA-N 2 0 277.390 -0.965 20 0 CBADRP CC[C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000631932631 356926063 /nfs/dbraw/zinc/92/60/63/356926063.db2.gz WZNKVSUWIDYTHP-UTUOFQBUSA-N 2 0 291.417 -0.636 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)CCC[NH+](C)C ZINC000631934958 356927003 /nfs/dbraw/zinc/92/70/03/356927003.db2.gz OGQPVEKKTYMKCE-GHMZBOCLSA-N 2 0 263.407 -0.145 20 0 CBADRP C[C@H]1[NH2+]CCN(S(=O)(=O)CCC[NH+](C)C)[C@@H]1C ZINC000631935163 356927124 /nfs/dbraw/zinc/92/71/24/356927124.db2.gz DTSWHJHDRXLBOI-GHMZBOCLSA-N 2 0 263.407 -0.050 20 0 CBADRP C[NH2+][C@@H]1CCCN(S(=O)(=O)CCC[NH+](C)C)C1 ZINC000631933753 356927420 /nfs/dbraw/zinc/92/74/20/356927420.db2.gz JCSNMVPTLRNSAP-LLVKDONJSA-N 2 0 263.407 -0.048 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000631934366 356927505 /nfs/dbraw/zinc/92/75/05/356927505.db2.gz YOGLOMKEAAEKQK-PHIMTYICSA-N 2 0 261.391 -0.581 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631936299 356928357 /nfs/dbraw/zinc/92/83/57/356928357.db2.gz YUSAVRRCFMZEKE-JQWIXIFHSA-N 2 0 290.433 -0.355 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631939469 356929047 /nfs/dbraw/zinc/92/90/47/356929047.db2.gz AWWWDQMRVGKBMG-NEPJUHHUSA-N 2 0 292.449 -0.721 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCCC[C@H]1CCC[NH2+]1 ZINC000631940860 356929476 /nfs/dbraw/zinc/92/94/76/356929476.db2.gz IFRUWSWLSXSRCF-NEPJUHHUSA-N 2 0 291.417 -0.574 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000631942022 356929741 /nfs/dbraw/zinc/92/97/41/356929741.db2.gz NLSDCJJGCLZQDU-NWDGAFQWSA-N 2 0 275.418 -0.048 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N(C)C1(C[NH3+])CCC1 ZINC000631941214 356929753 /nfs/dbraw/zinc/92/97/53/356929753.db2.gz QZCUSZFWWMGNND-UHFFFAOYSA-N 2 0 290.433 -0.272 20 0 CBADRP CN(C1(C[NH3+])CCC1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631940998 356929784 /nfs/dbraw/zinc/92/97/84/356929784.db2.gz LPKMPOVOFJQZCL-SNVBAGLBSA-N 2 0 277.390 -0.882 20 0 CBADRP CC(C)(CC[NH3+])NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631946353 356931219 /nfs/dbraw/zinc/93/12/19/356931219.db2.gz YKIMECMYBNHVJO-VIFPVBQESA-N 2 0 265.379 -0.978 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000631946804 356931340 /nfs/dbraw/zinc/93/13/40/356931340.db2.gz KDPRVNIUUQPVFP-VXGBXAGGSA-N 2 0 290.433 -0.226 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631947155 356931352 /nfs/dbraw/zinc/93/13/52/356931352.db2.gz VVVOHXUDBLPVFW-IVZWLZJFSA-N 2 0 265.379 -0.980 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)CCC[NH+](C)C ZINC000631946973 356931431 /nfs/dbraw/zinc/93/14/31/356931431.db2.gz PRYLMOGLUIPSMZ-UWVGGRQHSA-N 2 0 251.396 -0.017 20 0 CBADRP C[C@@H]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)[C@H](C[NH3+])C1 ZINC000631951356 356931874 /nfs/dbraw/zinc/93/18/74/356931874.db2.gz GBVJORGXPZEXHF-GRYCIOLGSA-N 2 0 291.417 -0.636 20 0 CBADRP [NH3+]C1(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000631950793 356932172 /nfs/dbraw/zinc/93/21/72/356932172.db2.gz QPEOQJCCIUXYLV-JTQLQIEISA-N 2 0 277.390 -0.834 20 0 CBADRP C[NH2+]C[C@@H](C)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631952940 356932874 /nfs/dbraw/zinc/93/28/74/356932874.db2.gz XYQXUIGNHAZHFD-GFCCVEGCSA-N 2 0 292.449 -0.849 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631953094 356933118 /nfs/dbraw/zinc/93/31/18/356933118.db2.gz CBQFHYSDXJUVFZ-NEPJUHHUSA-N 2 0 291.417 -0.766 20 0 CBADRP [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)C[C@H]1C[NH2+]CCO1)C2 ZINC000631953832 356933775 /nfs/dbraw/zinc/93/37/75/356933775.db2.gz TXWNKRHDSRLEPH-UTUOFQBUSA-N 2 0 289.401 -0.882 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@H]1CC[NH2+]C12CCC2 ZINC000631954228 356933941 /nfs/dbraw/zinc/93/39/41/356933941.db2.gz FQRXNLUMRNUXBA-QWRGUYRKSA-N 2 0 289.401 -0.821 20 0 CBADRP C[C@@H]1CC[C@@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)C[NH2+]1 ZINC000631955147 356934057 /nfs/dbraw/zinc/93/40/57/356934057.db2.gz FJRBWKGRKWTIQN-GMTAPVOTSA-N 2 0 277.390 -0.965 20 0 CBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@H]1CC[NH2+]C12CCC2 ZINC000631954227 356934093 /nfs/dbraw/zinc/93/40/93/356934093.db2.gz FQRXNLUMRNUXBA-MNOVXSKESA-N 2 0 289.401 -0.821 20 0 CBADRP C[NH+](C)CCCNS(=O)(=O)CCC[NH+](C)C ZINC000631638713 356899065 /nfs/dbraw/zinc/89/90/65/356899065.db2.gz FZUCIWPXIYVOND-UHFFFAOYSA-N 2 0 251.396 -0.191 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NCCN1CC[NH+](C)CC1 ZINC000632254184 356964748 /nfs/dbraw/zinc/96/47/48/356964748.db2.gz LAINVLGYFVMJPU-UHFFFAOYSA-N 2 0 292.449 -0.895 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000632412803 356985506 /nfs/dbraw/zinc/98/55/06/356985506.db2.gz LTYUKNQEVLYOSG-NWDGAFQWSA-N 2 0 275.418 -0.096 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NCCOCC[NH+](C)C ZINC000632201935 356959461 /nfs/dbraw/zinc/95/94/61/356959461.db2.gz XYJKXFHRJBPXJJ-UHFFFAOYSA-N 2 0 281.422 -0.564 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632879448 357029564 /nfs/dbraw/zinc/02/95/64/357029564.db2.gz SVLWCSGSOJINPL-UPJWGTAASA-N 2 0 267.373 -0.035 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633080351 357040879 /nfs/dbraw/zinc/04/08/79/357040879.db2.gz OLKMLJWXSRYUMA-AGIUHOORSA-N 2 0 294.399 -0.641 20 0 CBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633094372 357043773 /nfs/dbraw/zinc/04/37/73/357043773.db2.gz XRSBLIPFRQSXFK-STQMWFEESA-N 2 0 294.399 -0.497 20 0 CBADRP C[C@H]1C[C@H](N(C)C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@@H+]1C ZINC000633095339 357044642 /nfs/dbraw/zinc/04/46/42/357044642.db2.gz UVGCQVCAZJKCBK-RVMXOQNASA-N 2 0 294.399 -0.500 20 0 CBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)[C@H]2C1 ZINC000633099978 357045337 /nfs/dbraw/zinc/04/53/37/357045337.db2.gz MJZAAZGIZRMSGH-CYDGBPFRSA-N 2 0 292.383 -0.888 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633099549 357045418 /nfs/dbraw/zinc/04/54/18/357045418.db2.gz RJUVXROJMUEYSU-RYUDHWBXSA-N 2 0 282.388 -0.641 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000633102482 357046102 /nfs/dbraw/zinc/04/61/02/357046102.db2.gz UHFBDPFVOOAXNP-CHWSQXEVSA-N 2 0 298.431 -0.162 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633106065 357047174 /nfs/dbraw/zinc/04/71/74/357047174.db2.gz GPEVPHWCTRGJKZ-FRRDWIJNSA-N 2 0 294.399 -0.498 20 0 CBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000633118307 357050384 /nfs/dbraw/zinc/05/03/84/357050384.db2.gz JNBSLAJAJUVFCJ-NEPJUHHUSA-N 2 0 296.415 -0.077 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000633138009 357051414 /nfs/dbraw/zinc/05/14/14/357051414.db2.gz BEBLBXKZDBLCMY-FRRDWIJNSA-N 2 0 292.383 -0.593 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000633137916 357051544 /nfs/dbraw/zinc/05/15/44/357051544.db2.gz AAYIFHFUCISOLD-JMSVASOKSA-N 2 0 294.399 -0.511 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000633137919 357051578 /nfs/dbraw/zinc/05/15/78/357051578.db2.gz AAYIFHFUCISOLD-XUJVJEKNSA-N 2 0 294.399 -0.511 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000633481134 357069031 /nfs/dbraw/zinc/06/90/31/357069031.db2.gz KCPSFRIDNNSQKO-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP O=C(NC[C@H]1CCCC[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000634268543 357112884 /nfs/dbraw/zinc/11/28/84/357112884.db2.gz AVDSEBYIPOQRMI-GRYCIOLGSA-N 2 0 252.362 -0.011 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)NC[C@@H]1CCCC[NH2+]1 ZINC000634269103 357113049 /nfs/dbraw/zinc/11/30/49/357113049.db2.gz FAYLULBJWGYWRC-LBPRGKRZSA-N 2 0 269.393 -0.667 20 0 CBADRP CN1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000634272321 357113904 /nfs/dbraw/zinc/11/39/04/357113904.db2.gz ZWBFMWPLPQGJHQ-VXGBXAGGSA-N 2 0 269.393 -0.587 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1CCO[C@@H]1C[NH3+])C2 ZINC000634741896 357131885 /nfs/dbraw/zinc/13/18/85/357131885.db2.gz SEZYGIZTBUURDQ-OXHZDVMGSA-N 2 0 267.373 -0.192 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634744393 357132399 /nfs/dbraw/zinc/13/23/99/357132399.db2.gz XEJHCVBYWPBZOJ-RTXFEEFZSA-N 2 0 255.362 -0.192 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000634761484 357133590 /nfs/dbraw/zinc/13/35/90/357133590.db2.gz CFMWMIUOMBXKNZ-NEPJUHHUSA-N 2 0 296.415 -0.251 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768281 357134078 /nfs/dbraw/zinc/13/40/78/357134078.db2.gz DJUGGYUHHAVANG-JMSVASOKSA-N 2 0 294.399 -0.497 20 0 CBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000634763902 357134092 /nfs/dbraw/zinc/13/40/92/357134092.db2.gz GPYZGWWNOJQNIC-JTQLQIEISA-N 2 0 280.376 -0.255 20 0 CBADRP [NH3+][C@H]1CCCCN(CC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)C1=O ZINC000634769193 357134368 /nfs/dbraw/zinc/13/43/68/357134368.db2.gz PQRLPILEDFATSF-XUJVJEKNSA-N 2 0 294.399 -0.416 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634769444 357134778 /nfs/dbraw/zinc/13/47/78/357134778.db2.gz AQSZHONHJXWHID-MDZLAQPJSA-N 2 0 255.362 -0.003 20 0 CBADRP C[C@]12C[NH+](CC34CC(C3)C[NH2+]4)C[C@]1(C)C(=O)NC2=O ZINC000634998177 357142055 /nfs/dbraw/zinc/14/20/55/357142055.db2.gz BUPQKMNHADPBJC-ZFGZOAHFSA-N 2 0 263.341 -0.277 20 0 CBADRP C[C@@]12C[NH+](CC3CC[NH2+]CC3)C[C@@]1(C)C(=O)NC2=O ZINC000634999139 357142367 /nfs/dbraw/zinc/14/23/67/357142367.db2.gz QNXJFXOXNQZJTG-KBPBESRZSA-N 2 0 265.357 -0.029 20 0 CBADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCN1CCCS1(=O)=O ZINC000635005218 357142428 /nfs/dbraw/zinc/14/24/28/357142428.db2.gz SNAMRVGHYBOOLI-QWRGUYRKSA-N 2 0 261.391 -0.119 20 0 CBADRP CNS(=O)(=O)CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000635005157 357142439 /nfs/dbraw/zinc/14/24/39/357142439.db2.gz HDLIBCUWOZJRPO-QJPTWQEYSA-N 2 0 275.418 -0.097 20 0 CBADRP CCC[C@H](CCO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000634724494 357129856 /nfs/dbraw/zinc/12/98/56/357129856.db2.gz RHZKEOPMMOPVDE-ZIAGYGMSSA-N 2 0 273.421 -0.265 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)[C@H](C)O1 ZINC000634726915 357130136 /nfs/dbraw/zinc/13/01/36/357130136.db2.gz GGGTUJDUAYKOQK-RQJABVFESA-N 2 0 271.405 -0.250 20 0 CBADRP CCC[C@@H](CCO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000634724491 357130265 /nfs/dbraw/zinc/13/02/65/357130265.db2.gz RHZKEOPMMOPVDE-KBPBESRZSA-N 2 0 273.421 -0.265 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634735714 357130568 /nfs/dbraw/zinc/13/05/68/357130568.db2.gz OTXSFWRSHKITPS-UPJWGTAASA-N 2 0 267.373 -0.238 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635728445 357197505 /nfs/dbraw/zinc/19/75/05/357197505.db2.gz XRZFJLLYUSLBAP-YPMHNXCESA-N 2 0 257.378 -0.243 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC000635726267 357198018 /nfs/dbraw/zinc/19/80/18/357198018.db2.gz AHABQIPBHHFSLB-GFCCVEGCSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)[C@H](C)NC(=O)[C@@H](C)[NH+](C)C ZINC000635866252 357221389 /nfs/dbraw/zinc/22/13/89/357221389.db2.gz QPWMIRMHPXCPKI-WRWGMCAJSA-N 2 0 286.420 -0.104 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000635900163 357227347 /nfs/dbraw/zinc/22/73/47/357227347.db2.gz BCHCVALASHZJPQ-CYBMUJFWSA-N 2 0 280.416 -0.166 20 0 CBADRP C[C@H](C(=O)N1CCN(C(=O)[C@@H](C)[NH+](C)C)[C@@H](C)C1)[NH+](C)C ZINC000635564603 357177635 /nfs/dbraw/zinc/17/76/35/357177635.db2.gz IKSLHZNJNMDYAB-YNEHKIRRSA-N 2 0 298.431 -0.054 20 0 CBADRP C[C@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+](C)C ZINC000635571964 357177964 /nfs/dbraw/zinc/17/79/64/357177964.db2.gz DXQDZDJIYGNXSN-KGLIPLIRSA-N 2 0 298.431 -0.541 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000636578688 357290169 /nfs/dbraw/zinc/29/01/69/357290169.db2.gz NLODGZOFCIYYIA-MJBXVCDLSA-N 2 0 296.415 -0.021 20 0 CBADRP CC[N@H+](CCNC(=O)NCC[NH+]1CC[C@@H](O)C1)C1CC1 ZINC000636716826 357298107 /nfs/dbraw/zinc/29/81/07/357298107.db2.gz WPFJLBRTBKWXAN-CYBMUJFWSA-N 2 0 284.404 -0.164 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000635998373 357247807 /nfs/dbraw/zinc/24/78/07/357247807.db2.gz DRLJCVUETRQQDM-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000636047480 357255496 /nfs/dbraw/zinc/25/54/96/357255496.db2.gz KCPSFRIDNNSQKO-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+](C)CCN1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1=O ZINC000636120160 357264720 /nfs/dbraw/zinc/26/47/20/357264720.db2.gz NJDONTLHFDUGKP-ZDUSSCGKSA-N 2 0 296.415 -0.439 20 0 CBADRP C[NH+](C)CC1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000636256276 357274727 /nfs/dbraw/zinc/27/47/27/357274727.db2.gz SLJGEUCBZHBMRK-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000637814187 357369816 /nfs/dbraw/zinc/36/98/16/357369816.db2.gz IRIAFMUTQBSLSN-MDZLAQPJSA-N 2 0 255.362 -0.131 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000637832533 357372399 /nfs/dbraw/zinc/37/23/99/357372399.db2.gz IJIZBYMEFMIMFD-AVGNSLFASA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)C[N@@H+]1C1CC1 ZINC000636907204 357311469 /nfs/dbraw/zinc/31/14/69/357311469.db2.gz LUXPAJSWVRIAQY-SCRDCRAPSA-N 2 0 296.415 -0.023 20 0 CBADRP C[C@H]1C[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C[N@@H+]1C1CC1 ZINC000636907205 357311729 /nfs/dbraw/zinc/31/17/29/357311729.db2.gz LUXPAJSWVRIAQY-SGMGOOAPSA-N 2 0 296.415 -0.023 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000636923883 357312711 /nfs/dbraw/zinc/31/27/11/357312711.db2.gz ZUEWBNAACWXYMG-IACUBPJLSA-N 2 0 296.415 -0.165 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000636923881 357312731 /nfs/dbraw/zinc/31/27/31/357312731.db2.gz ZUEWBNAACWXYMG-FPMFFAJLSA-N 2 0 296.415 -0.165 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637001077 357316602 /nfs/dbraw/zinc/31/66/02/357316602.db2.gz GLXAKNRFNGPIKP-DGCLKSJQSA-N 2 0 272.393 -0.260 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N[C@@H]1Cc2cncn2C1 ZINC000637078573 357321025 /nfs/dbraw/zinc/32/10/25/357321025.db2.gz GKYURBLRJYXLFF-LLVKDONJSA-N 2 0 281.360 -0.315 20 0 CBADRP CN1CCOC[C@H]1CNC(=O)NCCOCC[NH+](C)C ZINC000637079486 357321038 /nfs/dbraw/zinc/32/10/38/357321038.db2.gz YLKFAHQPOSGDSR-GFCCVEGCSA-N 2 0 288.392 -0.806 20 0 CBADRP C[C@H]1CCCN(C(=O)CN2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC000637848545 357376062 /nfs/dbraw/zinc/37/60/62/357376062.db2.gz UBRTZIJTXCFRAV-NWDGAFQWSA-N 2 0 254.378 -0.523 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)C1 ZINC000637844129 357376092 /nfs/dbraw/zinc/37/60/92/357376092.db2.gz DUABEYCDGSLDSB-KQXIARHKSA-N 2 0 255.362 -0.051 20 0 CBADRP CC(C)(O)C[NH+]1CCN(C(=O)NCC[NH2+]C2CC2)CC1 ZINC000637297610 357338401 /nfs/dbraw/zinc/33/84/01/357338401.db2.gz OMJPLJGAIDHJTB-UHFFFAOYSA-N 2 0 284.404 -0.164 20 0 CBADRP [NH3+]C[C@@H](NC(=O)CN1CC[NH2+]CC1)C1CCCCC1 ZINC000637845500 357376294 /nfs/dbraw/zinc/37/62/94/357376294.db2.gz PUAZYMWKFGBEBW-CYBMUJFWSA-N 2 0 268.405 -0.085 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000637852731 357377014 /nfs/dbraw/zinc/37/70/14/357377014.db2.gz HSHSRRBONGDUKD-RYUDHWBXSA-N 2 0 254.378 -0.475 20 0 CBADRP C[NH2+]CCNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000637545271 357357262 /nfs/dbraw/zinc/35/72/62/357357262.db2.gz RGBIJPNGIOJAQK-UHFFFAOYSA-N 2 0 258.366 -0.696 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]CCO1 ZINC000637858940 357377499 /nfs/dbraw/zinc/37/74/99/357377499.db2.gz FKJCGENOZHQIRX-MDZLAQPJSA-N 2 0 253.346 -0.282 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH2+]C1 ZINC000637804563 357366499 /nfs/dbraw/zinc/36/64/99/357366499.db2.gz DLOZTXWISGJWHG-ZDUSSCGKSA-N 2 0 287.404 -0.161 20 0 CBADRP [NH3+]C1(CNC(=O)CN2CC[NH2+]CC2)CCCCC1 ZINC000637800696 357366783 /nfs/dbraw/zinc/36/67/83/357366783.db2.gz GOFCMQJHGQTXMJ-UHFFFAOYSA-N 2 0 254.378 -0.331 20 0 CBADRP COC[C@@]1(C(=O)NCCN2CC[NH2+]CC2)CCCC[NH2+]1 ZINC000637809801 357367740 /nfs/dbraw/zinc/36/77/40/357367740.db2.gz AQMMZGFVMXQWRK-CQSZACIVSA-N 2 0 284.404 -0.834 20 0 CBADRP CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000637809228 357367975 /nfs/dbraw/zinc/36/79/75/357367975.db2.gz NJZFPHWJKDBXNH-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP CC(C)CC[C@@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000637811193 357368465 /nfs/dbraw/zinc/36/84/65/357368465.db2.gz NQENGYWSOQTFTB-GFCCVEGCSA-N 2 0 256.394 -0.229 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638231520 357440514 /nfs/dbraw/zinc/44/05/14/357440514.db2.gz QCDCWJKGVFRMGL-NQBHXWOUSA-N 2 0 254.378 -0.606 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638238136 357441140 /nfs/dbraw/zinc/44/11/40/357441140.db2.gz SJXFKOHRLSPEPY-JOCQHMNTSA-N 2 0 268.405 -0.227 20 0 CBADRP [NH3+][C@@H]1CC=C(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000638236470 357441166 /nfs/dbraw/zinc/44/11/66/357441166.db2.gz CSKGCCAYAWFFJD-CHWSQXEVSA-N 2 0 264.373 -0.460 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000638249325 357444003 /nfs/dbraw/zinc/44/40/03/357444003.db2.gz WSUPVODOZRILEG-FMSGJZPZSA-N 2 0 267.373 -0.036 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000638243643 357441876 /nfs/dbraw/zinc/44/18/76/357441876.db2.gz CDNAKTGIVIOKQY-NSHDSACASA-N 2 0 252.362 -0.850 20 0 CBADRP C[C@@]1(C(=O)N[C@@H]2CC23CC[NH2+]CC3)C[NH2+]CCO1 ZINC000638243800 357441935 /nfs/dbraw/zinc/44/19/35/357441935.db2.gz CGJMOSFJRNYSCD-PWSUYJOCSA-N 2 0 253.346 -0.377 20 0 CBADRP C[NH+](C)[C@@]1(CNC(=O)[C@@]2(C)C[NH2+]CCO2)CCSC1 ZINC000638068682 357408955 /nfs/dbraw/zinc/40/89/55/357408955.db2.gz KMJIBTOAQJMOGI-CHWSQXEVSA-N 2 0 287.429 -0.082 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638071130 357410123 /nfs/dbraw/zinc/41/01/23/357410123.db2.gz FOPSMVAZUZMQDN-OCCSQVGLSA-N 2 0 287.404 -0.162 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638071128 357410170 /nfs/dbraw/zinc/41/01/70/357410170.db2.gz FOPSMVAZUZMQDN-GXTWGEPZSA-N 2 0 287.404 -0.162 20 0 CBADRP C[NH+](C)[C@@]1(CNC(=O)CN2CC[NH2+]CC2)CCSC1 ZINC000638070287 357410192 /nfs/dbraw/zinc/41/01/92/357410192.db2.gz XWAYDCVRHMJFQW-CYBMUJFWSA-N 2 0 286.445 -0.555 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)C1CC1 ZINC000638075709 357411210 /nfs/dbraw/zinc/41/12/10/357411210.db2.gz HCJBOLDTCAFTPX-DGCLKSJQSA-N 2 0 255.362 -0.179 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000638078179 357411921 /nfs/dbraw/zinc/41/19/21/357411921.db2.gz FAZCUKMSJPWKDX-GMXVVIOVSA-N 2 0 255.362 -0.036 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638078213 357412405 /nfs/dbraw/zinc/41/24/05/357412405.db2.gz FPYJMAYEVVNVQS-CQSZACIVSA-N 2 0 285.388 -0.408 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638091713 357414861 /nfs/dbraw/zinc/41/48/61/357414861.db2.gz QHGRMWPRKCGMJE-GFCCVEGCSA-N 2 0 259.350 -0.941 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000638243034 357442551 /nfs/dbraw/zinc/44/25/51/357442551.db2.gz JQKLFJTYOBKZIN-PREPNJAASA-N 2 0 251.330 -0.816 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc(C[NH3+])nc1 ZINC000638100520 357417446 /nfs/dbraw/zinc/41/74/46/357417446.db2.gz PWVLBISLODGIAP-GFCCVEGCSA-N 2 0 293.371 -0.224 20 0 CBADRP CN(C(=O)[C@@H]1OCC[C@@H]1[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000638102198 357418544 /nfs/dbraw/zinc/41/85/44/357418544.db2.gz TZPNSWFPVIXQSR-SDDRHHMPSA-N 2 0 253.346 -0.202 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638102066 357418579 /nfs/dbraw/zinc/41/85/79/357418579.db2.gz XJVZOWRBISDELL-HIFRSBDPSA-N 2 0 299.415 -0.031 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000638102974 357418680 /nfs/dbraw/zinc/41/86/80/357418680.db2.gz YFALRXHQXOPWPE-CYBMUJFWSA-N 2 0 266.389 -0.508 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@]2(C)C[NH2+]CCO2)CCOCC1 ZINC000638113160 357420670 /nfs/dbraw/zinc/42/06/70/357420670.db2.gz YIPAWWQTPYOKEZ-ZDUSSCGKSA-N 2 0 285.388 -0.408 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638125173 357422269 /nfs/dbraw/zinc/42/22/69/357422269.db2.gz IRIJYRMQVXRHND-CQSZACIVSA-N 2 0 285.388 -0.408 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638125172 357422326 /nfs/dbraw/zinc/42/23/26/357422326.db2.gz IRIJYRMQVXRHND-AWEZNQCLSA-N 2 0 285.388 -0.408 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638127370 357422581 /nfs/dbraw/zinc/42/25/81/357422581.db2.gz VKHUPAOFVLHBCK-AAEUAGOBSA-N 2 0 255.362 -0.177 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000638131969 357423272 /nfs/dbraw/zinc/42/32/72/357423272.db2.gz GAIDXJLSQGBBSH-UPJWGTAASA-N 2 0 283.372 -0.717 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638134734 357423696 /nfs/dbraw/zinc/42/36/96/357423696.db2.gz OIFVKIGMXNDBEA-OHBODLIOSA-N 2 0 253.346 -0.299 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638137708 357424450 /nfs/dbraw/zinc/42/44/50/357424450.db2.gz ZPOBOZLBJQOMHP-CQSZACIVSA-N 2 0 284.404 -0.881 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000638246689 357442917 /nfs/dbraw/zinc/44/29/17/357442917.db2.gz DGCNNSJWKNHVRM-GMOBBJLQSA-N 2 0 259.325 -0.430 20 0 CBADRP C[C@@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)N1CC[NH+](C)CC1 ZINC000638139053 357424910 /nfs/dbraw/zinc/42/49/10/357424910.db2.gz BPIJKTRHSQQIAW-DZGCQCFKSA-N 2 0 298.431 -0.506 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)NCCN1CC[NH+](CC)CC1 ZINC000638138197 357425116 /nfs/dbraw/zinc/42/51/16/357425116.db2.gz XPOIYLRIZADQAY-LBPRGKRZSA-N 2 0 256.394 -0.262 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CCCC[NH2+]1 ZINC000638138416 357425450 /nfs/dbraw/zinc/42/54/50/357425450.db2.gz ARAMFOZPGSSLMT-UKRRQHHQSA-N 2 0 298.431 -0.493 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000638143224 357426351 /nfs/dbraw/zinc/42/63/51/357426351.db2.gz GWWWZILBAKRBNH-JTQLQIEISA-N 2 0 253.350 -0.231 20 0 CBADRP CN(C(=O)CN1CC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638144989 357426364 /nfs/dbraw/zinc/42/63/64/357426364.db2.gz INENNVLCQQOAPP-FUNVUKJBSA-N 2 0 266.389 -0.367 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]([NH3+])C2CC2)cn1 ZINC000638153383 357426831 /nfs/dbraw/zinc/42/68/31/357426831.db2.gz IODGSAUUYFFSQO-LBPRGKRZSA-N 2 0 265.361 -0.088 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638158608 357428172 /nfs/dbraw/zinc/42/81/72/357428172.db2.gz RBXVBSKWLXEQMP-GVXVVHGQSA-N 2 0 255.362 -0.062 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C[NH2+]CCO1 ZINC000638245224 357443172 /nfs/dbraw/zinc/44/31/72/357443172.db2.gz AWJNRFMVONFAGM-GMXVVIOVSA-N 2 0 253.346 -0.425 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]2CC[NH2+]C2)CCCC[NH2+]1 ZINC000638164022 357429013 /nfs/dbraw/zinc/42/90/13/357429013.db2.gz FYHKUOBALNBVQO-AAEUAGOBSA-N 2 0 255.362 -0.129 20 0 CBADRP [NH3+]C[C@]1(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCCOC1 ZINC000638247531 357443234 /nfs/dbraw/zinc/44/32/34/357443234.db2.gz NZOVNLROWZKSPW-MBNYWOFBSA-N 2 0 267.373 -0.048 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@@H+]1C ZINC000638170939 357430154 /nfs/dbraw/zinc/43/01/54/357430154.db2.gz ILFBXJHFRQRGNM-SDDRHHMPSA-N 2 0 255.362 -0.097 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000638169885 357430499 /nfs/dbraw/zinc/43/04/99/357430499.db2.gz MXUORNVDHWLAOU-WCQYABFASA-N 2 0 255.362 -0.083 20 0 CBADRP [NH3+]C[C@]1(C(=O)NCC2=CC[NH2+]CC2)CCCOC1 ZINC000638175480 357432223 /nfs/dbraw/zinc/43/22/23/357432223.db2.gz CWSAOIQIDCYUEN-CYBMUJFWSA-N 2 0 253.346 -0.222 20 0 CBADRP [NH3+]C[C@@]1(C(=O)NCC2=CC[NH2+]CC2)CCCOC1 ZINC000638175481 357432700 /nfs/dbraw/zinc/43/27/00/357432700.db2.gz CWSAOIQIDCYUEN-ZDUSSCGKSA-N 2 0 253.346 -0.222 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000638195249 357433156 /nfs/dbraw/zinc/43/31/56/357433156.db2.gz VBYJZLFMCIVYCB-UHFFFAOYSA-N 2 0 274.368 -0.189 20 0 CBADRP C[C@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[NH2+]CCO1 ZINC000638197072 357433297 /nfs/dbraw/zinc/43/32/97/357433297.db2.gz FBWOWFITFWUPIF-NTZNESFSSA-N 2 0 253.346 -0.282 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000638206848 357435393 /nfs/dbraw/zinc/43/53/93/357435393.db2.gz LOWWIARDXAJWMB-NQBHXWOUSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[NH2+][C@H](C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000638219248 357436086 /nfs/dbraw/zinc/43/60/86/357436086.db2.gz JHKFEMBJXUHTNK-NXEZZACHSA-N 2 0 296.337 -0.063 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)CCCC[NH2+]1 ZINC000638226634 357436866 /nfs/dbraw/zinc/43/68/66/357436866.db2.gz KCEYXFZUXOYZSS-IPYPFGDCSA-N 2 0 297.399 -0.266 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000638226098 357437061 /nfs/dbraw/zinc/43/70/61/357437061.db2.gz CXCUUFXGUCCTCH-KGLIPLIRSA-N 2 0 280.416 -0.023 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000638226721 357437583 /nfs/dbraw/zinc/43/75/83/357437583.db2.gz IOHZXJVFOIEZOL-KBPBESRZSA-N 2 0 280.416 -0.166 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000638228217 357438632 /nfs/dbraw/zinc/43/86/32/357438632.db2.gz DXZLZMHHAIZEQN-VNHYZAJKSA-N 2 0 296.415 -0.741 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CCO1 ZINC000637865463 357379430 /nfs/dbraw/zinc/37/94/30/357379430.db2.gz FNTXYYGJOBIDRO-YPMHNXCESA-N 2 0 295.387 -0.367 20 0 CBADRP CN1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](C[NH3+])C1 ZINC000637866346 357379537 /nfs/dbraw/zinc/37/95/37/357379537.db2.gz KXRNSONKKJYAQN-NEPJUHHUSA-N 2 0 254.378 -0.571 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC000637867923 357380122 /nfs/dbraw/zinc/38/01/22/357380122.db2.gz VOEWNXMNFZREOY-MNOVXSKESA-N 2 0 255.362 -0.097 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000637867946 357380584 /nfs/dbraw/zinc/38/05/84/357380584.db2.gz VQNDOCRFNWUQOY-ZPFDUUQYSA-N 2 0 271.361 -0.672 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000638572455 357495170 /nfs/dbraw/zinc/49/51/70/357495170.db2.gz LSKMHHOCNBUASV-HBNTYKKESA-N 2 0 268.361 -0.889 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@]1(COC)CCCC[NH2+]1 ZINC000638575830 357496618 /nfs/dbraw/zinc/49/66/18/357496618.db2.gz SGGHKDPFKCSUHP-CYBMUJFWSA-N 2 0 273.377 -0.503 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000638575457 357496697 /nfs/dbraw/zinc/49/66/97/357496697.db2.gz FQZQIKNNRYYCKG-AAEUAGOBSA-N 2 0 255.362 -0.272 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NCCOCC[NH2+]C)CC1 ZINC000638578572 357497198 /nfs/dbraw/zinc/49/71/98/357497198.db2.gz OTSMKZOZMWQACK-UHFFFAOYSA-N 2 0 286.420 -0.634 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000638579874 357497560 /nfs/dbraw/zinc/49/75/60/357497560.db2.gz XXYOUIMJZKLXDO-QWHCGFSZSA-N 2 0 269.389 -0.026 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]([NH3+])COC(C)C ZINC000638593721 357499557 /nfs/dbraw/zinc/49/95/57/357499557.db2.gz HUVFVFPPBCLWOY-NSHDSACASA-N 2 0 261.366 -0.567 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000638594130 357499758 /nfs/dbraw/zinc/49/97/58/357499758.db2.gz JMMFAHBLCDDOBG-LLVKDONJSA-N 2 0 295.387 -0.205 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000638595181 357500158 /nfs/dbraw/zinc/50/01/58/357500158.db2.gz YXFUQVWXSZUWME-QWRGUYRKSA-N 2 0 259.350 -0.955 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@@]1(COC)CCCC[NH2+]1 ZINC000638595140 357500367 /nfs/dbraw/zinc/50/03/67/357500367.db2.gz YASIRLCLLHPQOZ-AWEZNQCLSA-N 2 0 287.404 -0.161 20 0 CBADRP O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@@H]1COCC[NH2+]1 ZINC000638613248 357504882 /nfs/dbraw/zinc/50/48/82/357504882.db2.gz UWPHYMJISHZTDC-NWDGAFQWSA-N 2 0 255.362 -0.129 20 0 CBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H]2COCC[NH2+]2)C1(C)C ZINC000638616236 357507744 /nfs/dbraw/zinc/50/77/44/357507744.db2.gz PAUIYRRZAKCING-JTNHKYCSSA-N 2 0 285.388 -0.377 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638616964 357507865 /nfs/dbraw/zinc/50/78/65/357507865.db2.gz QVVUYZOTPAGGHZ-SNVBAGLBSA-N 2 0 264.329 -0.134 20 0 CBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H]2COCC[NH2+]2)C1(C)C ZINC000638616237 357508359 /nfs/dbraw/zinc/50/83/59/357508359.db2.gz PAUIYRRZAKCING-MISXGVKJSA-N 2 0 285.388 -0.377 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N(C)C1CC([NH3+])C1 ZINC000638254495 357444575 /nfs/dbraw/zinc/44/45/75/357444575.db2.gz AULUEBNYNCUIPA-UHFFFAOYSA-N 2 0 287.404 -0.081 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000638248418 357444606 /nfs/dbraw/zinc/44/46/06/357444606.db2.gz SHMZKCXWUHJNGN-VXGBXAGGSA-N 2 0 252.362 -0.898 20 0 CBADRP C[C@]1(C(=O)N[C@H](CC[NH3+])C(F)F)C[NH2+]CCO1 ZINC000638260255 357444722 /nfs/dbraw/zinc/44/47/22/357444722.db2.gz XKRRAVFBJMSEGH-GMSGAONNSA-N 2 0 251.277 -0.536 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000638257794 357445395 /nfs/dbraw/zinc/44/53/95/357445395.db2.gz WWLBXNSYLILEPV-ZJUUUORDSA-N 2 0 253.350 -0.090 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000638263414 357446378 /nfs/dbraw/zinc/44/63/78/357446378.db2.gz BFEIHTYJFYMNPY-DMDPSCGWSA-N 2 0 271.361 -0.752 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000638266271 357446462 /nfs/dbraw/zinc/44/64/62/357446462.db2.gz PNJOXDFVKLHREG-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000638270292 357446786 /nfs/dbraw/zinc/44/67/86/357446786.db2.gz GIPHYZPSMONCKG-ZWNOBZJWSA-N 2 0 255.362 -0.036 20 0 CBADRP [NH3+]C[C@]1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CCCOC1 ZINC000638268198 357447029 /nfs/dbraw/zinc/44/70/29/357447029.db2.gz XISAOMPWKVLLEV-WCQYABFASA-N 2 0 271.361 -0.763 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638274370 357448413 /nfs/dbraw/zinc/44/84/13/357448413.db2.gz NQYCCMSRAQHNFX-HIFRSBDPSA-N 2 0 299.415 -0.066 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000638618695 357508911 /nfs/dbraw/zinc/50/89/11/357508911.db2.gz OKFYEQLDJFLOTN-ZDUSSCGKSA-N 2 0 284.404 -0.881 20 0 CBADRP C[C@@]1(C(=O)N2CC[NH+]3CCC2CC3)C[NH2+]CCO1 ZINC000638279698 357449541 /nfs/dbraw/zinc/44/95/41/357449541.db2.gz QRLNYKYRRXVSLC-ZDUSSCGKSA-N 2 0 253.346 -0.329 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000638617417 357509075 /nfs/dbraw/zinc/50/90/75/357509075.db2.gz ZDIQMJZAXNZRDG-VHSXEESVSA-N 2 0 279.344 -0.795 20 0 CBADRP [NH3+]C[C@]1(C(=O)NCC[N@@H+]2CCCOCC2)CCCOC1 ZINC000638295125 357453468 /nfs/dbraw/zinc/45/34/68/357453468.db2.gz TYRJXWWVUXFPHV-CQSZACIVSA-N 2 0 285.388 -0.420 20 0 CBADRP [NH3+]C[C@H](NC(=O)CN1CC[NH2+]CC1)C1CCCC1 ZINC000638326627 357458480 /nfs/dbraw/zinc/45/84/80/357458480.db2.gz NJCXPQLLVZFYHD-LBPRGKRZSA-N 2 0 254.378 -0.475 20 0 CBADRP COC[C@]1(C(=O)N2CCCO[C@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000638341871 357460104 /nfs/dbraw/zinc/46/01/04/357460104.db2.gz CPEIWFBWOCURBN-OCCSQVGLSA-N 2 0 285.388 -0.279 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000638343935 357460193 /nfs/dbraw/zinc/46/01/93/357460193.db2.gz PZSNTONNZGADTM-NEPJUHHUSA-N 2 0 255.362 -0.096 20 0 CBADRP COC[C@]1(C(=O)N2CCCO[C@@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000638341869 357460537 /nfs/dbraw/zinc/46/05/37/357460537.db2.gz CPEIWFBWOCURBN-JSGCOSHPSA-N 2 0 285.388 -0.279 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638617391 357509636 /nfs/dbraw/zinc/50/96/36/357509636.db2.gz YOVLSVPDORFZFW-UUIJZJDISA-N 2 0 297.399 -0.377 20 0 CBADRP C[C@]1(C(=O)N2CCC(CC[NH3+])CC2)C[NH2+]CCO1 ZINC000638389763 357465640 /nfs/dbraw/zinc/46/56/40/357465640.db2.gz CZQXYYAXJXSTPA-CYBMUJFWSA-N 2 0 255.362 -0.048 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@]2(C[NH3+])CCCOC2)C[C@H]1C[NH3+] ZINC000638390708 357465973 /nfs/dbraw/zinc/46/59/73/357465973.db2.gz NIGNJYMDGQMTBM-BZPMIXESSA-N 2 0 285.388 -0.436 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC000638394820 357466667 /nfs/dbraw/zinc/46/66/67/357466667.db2.gz JWAAOMABDYABRZ-TXEJJXNPSA-N 2 0 254.378 -0.652 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638395192 357467045 /nfs/dbraw/zinc/46/70/45/357467045.db2.gz TTZLJYBKTYVIQF-LOWVWBTDSA-N 2 0 255.362 -0.179 20 0 CBADRP O=C1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCN1 ZINC000638410776 357470319 /nfs/dbraw/zinc/47/03/19/357470319.db2.gz BUECORJBAFLHOH-NWDGAFQWSA-N 2 0 255.362 -0.299 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638408229 357470683 /nfs/dbraw/zinc/47/06/83/357470683.db2.gz FOOJKSAABBTQHV-NWDGAFQWSA-N 2 0 272.393 -0.898 20 0 CBADRP C[C@]1(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[NH2+]CCO1 ZINC000638424182 357473111 /nfs/dbraw/zinc/47/31/11/357473111.db2.gz JEFVUSXBSLTDJA-UKRRQHHQSA-N 2 0 297.399 -0.266 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000638417726 357473207 /nfs/dbraw/zinc/47/32/07/357473207.db2.gz JUDWOHAAQYPWFC-CXFXUWLJSA-N 2 0 253.346 -0.297 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638417695 357473340 /nfs/dbraw/zinc/47/33/40/357473340.db2.gz IVBOWCNEHZJUGX-YDGIUTOCSA-N 2 0 253.346 -0.308 20 0 CBADRP [NH3+]C[C@]1(C(=O)NCC23CC(C2)C[NH2+]3)CCCOC1 ZINC000638427421 357474474 /nfs/dbraw/zinc/47/44/74/357474474.db2.gz IQQRSTOPYPTINS-YXMLORGKSA-N 2 0 253.346 -0.390 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000638432596 357475097 /nfs/dbraw/zinc/47/50/97/357475097.db2.gz YSLMVDRMZBCNKX-XNDJQWLSSA-N 2 0 259.325 -0.349 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000638433196 357475747 /nfs/dbraw/zinc/47/57/47/357475747.db2.gz RUFDIMNPCFPSSZ-JTQLQIEISA-N 2 0 253.350 -0.218 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000638438793 357476214 /nfs/dbraw/zinc/47/62/14/357476214.db2.gz CQKBQIXNDLHBGM-CQSZACIVSA-N 2 0 287.404 -0.161 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N[C@]2(C)CC[NH2+]C2)cn1 ZINC000638441646 357477649 /nfs/dbraw/zinc/47/76/49/357477649.db2.gz YKNMBVMCZLYMSQ-CYBMUJFWSA-N 2 0 265.361 -0.074 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000638439604 357477857 /nfs/dbraw/zinc/47/78/57/357477857.db2.gz HYHPHUZOHMYKHM-NSHDSACASA-N 2 0 253.346 -0.329 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638476893 357482178 /nfs/dbraw/zinc/48/21/78/357482178.db2.gz MCORRQRAOYZPEB-GFCCVEGCSA-N 2 0 297.403 -0.861 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638476896 357482310 /nfs/dbraw/zinc/48/23/10/357482310.db2.gz MCORRQRAOYZPEB-LBPRGKRZSA-N 2 0 297.403 -0.861 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638479845 357483537 /nfs/dbraw/zinc/48/35/37/357483537.db2.gz FOEGGQKIFMEHML-VXGBXAGGSA-N 2 0 297.403 -0.861 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000638488331 357484056 /nfs/dbraw/zinc/48/40/56/357484056.db2.gz GGSLZFVTXSDZON-AAEUAGOBSA-N 2 0 284.404 -0.458 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638488629 357484221 /nfs/dbraw/zinc/48/42/21/357484221.db2.gz HZTYWQQWCBBDFN-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000638495335 357486467 /nfs/dbraw/zinc/48/64/67/357486467.db2.gz ARBQNJXUFJQDDZ-WOPDTQHZSA-N 2 0 282.388 -0.560 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000638497090 357487147 /nfs/dbraw/zinc/48/71/47/357487147.db2.gz IYVJKEIDEIRBQX-WDEREUQCSA-N 2 0 282.388 -0.560 20 0 CBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000638499076 357488248 /nfs/dbraw/zinc/48/82/48/357488248.db2.gz XTSHZHQMVJFYTA-UPJWGTAASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@]1(C(=O)N[C@H]2CC[NH2+]C23CCC3)C[NH2+]CCO1 ZINC000638513996 357491701 /nfs/dbraw/zinc/49/17/01/357491701.db2.gz PZNHKZOCAWXSGY-JQWIXIFHSA-N 2 0 253.346 -0.234 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638515016 357491809 /nfs/dbraw/zinc/49/18/09/357491809.db2.gz WSQUCBNJOZCVDJ-OUAUKWLOSA-N 2 0 253.346 -0.249 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C[NH2+]CCO1 ZINC000638513998 357491964 /nfs/dbraw/zinc/49/19/64/357491964.db2.gz PZNHKZOCAWXSGY-ZYHUDNBSSA-N 2 0 253.346 -0.234 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCC1([NH3+])CCOCC1 ZINC000638540545 357493101 /nfs/dbraw/zinc/49/31/01/357493101.db2.gz OQLCYOPEPKOYDK-QWRGUYRKSA-N 2 0 255.362 -0.015 20 0 CBADRP [NH3+]C1(CNC(=O)[C@H]2C[NH2+]CCC2(F)F)CCOCC1 ZINC000638540556 357493643 /nfs/dbraw/zinc/49/36/43/357493643.db2.gz PAYAJUXEGDKPFN-SECBINFHSA-N 2 0 277.315 -0.145 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnc(N)nc1N)CN1CC[NH+](C)CC1 ZINC000638551942 357494103 /nfs/dbraw/zinc/49/41/03/357494103.db2.gz MPURGYYQXSKEQW-NSHDSACASA-N 2 0 293.419 -0.725 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC000638560557 357494326 /nfs/dbraw/zinc/49/43/26/357494326.db2.gz WUMKQOGHVNULAQ-SFYZADRCSA-N 2 0 281.278 -0.694 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC000638642730 357514732 /nfs/dbraw/zinc/51/47/32/357514732.db2.gz JNPZSRXXJHRDAN-WOPDTQHZSA-N 2 0 282.388 -0.499 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[NH2+]1 ZINC000638641650 357514749 /nfs/dbraw/zinc/51/47/49/357514749.db2.gz GIYPJMDQYOWOKZ-OUAUKWLOSA-N 2 0 268.361 -0.889 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)CCOCC[NH3+])C1 ZINC000638669626 357518071 /nfs/dbraw/zinc/51/80/71/357518071.db2.gz FLAOYOZIWWGUJG-JQWIXIFHSA-N 2 0 259.350 -0.813 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)CCOCC[NH3+])C1 ZINC000638669625 357518110 /nfs/dbraw/zinc/51/81/10/357518110.db2.gz FLAOYOZIWWGUJG-CMPLNLGQSA-N 2 0 259.350 -0.813 20 0 CBADRP [NH3+]CCCOCCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000638664345 357518314 /nfs/dbraw/zinc/51/83/14/357518314.db2.gz ZEDTWWBDWKCUBH-UHFFFAOYSA-N 2 0 295.387 -0.557 20 0 CBADRP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C1(O)C[NH2+]C1 ZINC000638672445 357518782 /nfs/dbraw/zinc/51/87/82/357518782.db2.gz YTDUEZKWBKQZKK-UHFFFAOYSA-N 2 0 263.297 -0.559 20 0 CBADRP CN(CCOCC[NH3+])C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000638674506 357519049 /nfs/dbraw/zinc/51/90/49/357519049.db2.gz LLRLYIMGPOVJBH-SNVBAGLBSA-N 2 0 261.391 -0.485 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000638673771 357519322 /nfs/dbraw/zinc/51/93/22/357519322.db2.gz ZIQLRRLRHORQPW-AAEUAGOBSA-N 2 0 255.362 -0.190 20 0 CBADRP CN(CCOCC[NH3+])C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000638680504 357520048 /nfs/dbraw/zinc/52/00/48/357520048.db2.gz UMKBNUXRDJHHFA-LLVKDONJSA-N 2 0 259.350 -0.811 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000638728444 357525958 /nfs/dbraw/zinc/52/59/58/357525958.db2.gz RRFNEXPLKSGVJO-DMDPSCGWSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638780560 357528250 /nfs/dbraw/zinc/52/82/50/357528250.db2.gz SJRHITMSLNROMZ-ZYHUDNBSSA-N 2 0 255.362 -0.049 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638780969 357528466 /nfs/dbraw/zinc/52/84/66/357528466.db2.gz YBGHHEBFHFZYDA-CQSZACIVSA-N 2 0 299.415 -0.161 20 0 CBADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1(O)C[NH2+]C1 ZINC000638803271 357533493 /nfs/dbraw/zinc/53/34/93/357533493.db2.gz KHBNMADEHCLJTM-AWEZNQCLSA-N 2 0 289.379 -0.041 20 0 CBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3CCC[NH2+]3)CC2)C1=O ZINC000638857137 357538597 /nfs/dbraw/zinc/53/85/97/357538597.db2.gz ZIMBAPZKBPTRSM-CHWSQXEVSA-N 2 0 294.399 -0.450 20 0 CBADRP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1C[NH+]2CCC1CC2 ZINC000638853495 357538998 /nfs/dbraw/zinc/53/89/98/357538998.db2.gz HPGCYWFKLNODHV-CHWSQXEVSA-N 2 0 294.399 -0.593 20 0 CBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)C[NH2+]C3CC3)CC2)C1=O ZINC000638856772 357539220 /nfs/dbraw/zinc/53/92/20/357539220.db2.gz SYUIFSRETNARFK-CYBMUJFWSA-N 2 0 294.399 -0.450 20 0 CBADRP [NH3+][C@H](CCNC(=O)C1(O)C[NH2+]C1)Cc1ccccc1 ZINC000638883239 357540007 /nfs/dbraw/zinc/54/00/07/357540007.db2.gz YPRPJOGIZKTLCT-GFCCVEGCSA-N 2 0 263.341 -0.603 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000638925435 357544643 /nfs/dbraw/zinc/54/46/43/357544643.db2.gz MKNSFJCYZPIGIG-OKILXGFUSA-N 2 0 280.416 -0.023 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000638934289 357546127 /nfs/dbraw/zinc/54/61/27/357546127.db2.gz GMBRUKDSDXTGGC-QWHCGFSZSA-N 2 0 268.405 -0.038 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000638943762 357546547 /nfs/dbraw/zinc/54/65/47/357546547.db2.gz VGLUBDFOSBTWSA-IJLUTSLNSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[C@@H](C[NH3+])CC1 ZINC000638950136 357546972 /nfs/dbraw/zinc/54/69/72/357546972.db2.gz HNLHFJXUBZOGGU-BJDJZHNGSA-N 2 0 255.362 -0.016 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000638968024 357547348 /nfs/dbraw/zinc/54/73/48/357547348.db2.gz NWBRFICSAFGJDT-AVGNSLFASA-N 2 0 296.415 -0.122 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000638968025 357547395 /nfs/dbraw/zinc/54/73/95/357547395.db2.gz NWBRFICSAFGJDT-JHJVBQTASA-N 2 0 296.415 -0.122 20 0 CBADRP COCC[NH2+]CC(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638987101 357548723 /nfs/dbraw/zinc/54/87/23/357548723.db2.gz KWRLAIJBQDHUNU-UHFFFAOYSA-N 3 0 293.371 -0.334 20 0 CBADRP [NH3+]CC1(NC(=O)CN2CC[NH2+]CC2)CCCCC1 ZINC000638998857 357549810 /nfs/dbraw/zinc/54/98/10/357549810.db2.gz HPYIWYFPLSOOGQ-UHFFFAOYSA-N 2 0 254.378 -0.331 20 0 CBADRP CC(C)[C@H]1CN(C(=O)[C@H]2COCCN2)CC[N@@H+]1C ZINC000639018609 357553365 /nfs/dbraw/zinc/55/33/65/357553365.db2.gz PFTGJNRWZVGPRC-VXGBXAGGSA-N 2 0 255.362 -0.227 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639023468 357554252 /nfs/dbraw/zinc/55/42/52/357554252.db2.gz LMKXSDKTAVSMPN-UPJWGTAASA-N 2 0 294.399 -0.545 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000639049606 357556311 /nfs/dbraw/zinc/55/63/11/357556311.db2.gz VXEMXZCKLNDKKO-OAHLLOKOSA-N 2 0 285.432 -0.122 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@](C)(CO)COC)CC1 ZINC000639950045 357622423 /nfs/dbraw/zinc/62/24/23/357622423.db2.gz RQSLTOOCXDKXIR-CQSZACIVSA-N 2 0 287.404 -0.426 20 0 CBADRP C[NH+]1CCC2(CC[N@H+](CCN3C(=O)CNC3=O)C2)CC1 ZINC000639757965 357595275 /nfs/dbraw/zinc/59/52/75/357595275.db2.gz NQBFMBWQJGNYRW-UHFFFAOYSA-N 2 0 280.372 -0.044 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[NH+]2[C@@H](CO)CC[C@@H]2CO)CC1 ZINC000639783738 357598246 /nfs/dbraw/zinc/59/82/46/357598246.db2.gz MGCARZYZZVZCPE-ZIAGYGMSSA-N 2 0 299.415 -0.596 20 0 CBADRP Cc1nn(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(=O)o1 ZINC000639835844 357602308 /nfs/dbraw/zinc/60/23/08/357602308.db2.gz HGUVJSPMALVKCD-UHFFFAOYSA-N 2 0 299.375 -0.903 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000641194281 357678278 /nfs/dbraw/zinc/67/82/78/357678278.db2.gz NSXYFCNMJCIKRT-IJLUTSLNSA-N 2 0 269.393 -0.459 20 0 CBADRP C[C@H]([NH3+])CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000641493516 357712874 /nfs/dbraw/zinc/71/28/74/357712874.db2.gz NUXIRXXJYMJLSA-QWRGUYRKSA-N 2 0 272.393 -0.180 20 0 CBADRP C[C@H]([NH3+])CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000641493518 357713302 /nfs/dbraw/zinc/71/33/02/357713302.db2.gz NUXIRXXJYMJLSA-WDEREUQCSA-N 2 0 272.393 -0.180 20 0 CBADRP C[N@H+](C[C@H](O)Cn1cc(CN2CC[NH2+]CC2)nn1)C1CC1 ZINC000641220945 357681877 /nfs/dbraw/zinc/68/18/77/357681877.db2.gz DLPUVUGHKYQBDF-AWEZNQCLSA-N 2 0 294.403 -0.862 20 0 CBADRP CC[N@H+](C)C[C@@H](O)Cn1cc(CC[NH+](C)C)nn1 ZINC000641222713 357682423 /nfs/dbraw/zinc/68/24/23/357682423.db2.gz NOGPZWFELYPRKE-GFCCVEGCSA-N 2 0 255.366 -0.305 20 0 CBADRP c1c(CCN2CC[NH2+]CC2)nnn1CC1CC[NH2+]CC1 ZINC000641232324 357683186 /nfs/dbraw/zinc/68/31/86/357683186.db2.gz BWOKHIRGAYEUNS-UHFFFAOYSA-N 2 0 278.404 -0.275 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000574042976 334987368 /nfs/dbraw/zinc/98/73/68/334987368.db2.gz WBOHHSZOVVIXIB-FOGDFJRCSA-N 2 0 270.377 -0.671 20 0 CBADRP COc1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)on1 ZINC000641796658 357742399 /nfs/dbraw/zinc/74/23/99/357742399.db2.gz GOUFXEWVOQVWKO-SNVBAGLBSA-N 2 0 282.344 -0.030 20 0 CBADRP NS(=O)(=O)CCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000641797605 357742876 /nfs/dbraw/zinc/74/28/76/357742876.db2.gz CYQQYGDWGQDCJF-RYUDHWBXSA-N 2 0 275.418 -0.014 20 0 CBADRP NS(=O)(=O)CCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000641797465 357742928 /nfs/dbraw/zinc/74/29/28/357742928.db2.gz CYQQYGDWGQDCJF-NWDGAFQWSA-N 2 0 275.418 -0.014 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C)C(C)(C)C2)C1 ZINC000641824408 357746451 /nfs/dbraw/zinc/74/64/51/357746451.db2.gz IMXQXXYLRGCNPE-LBPRGKRZSA-N 2 0 296.415 -0.251 20 0 CBADRP O=C(NCCC[NH+]1CCCCC1)C(=O)NC1C[NH2+]C1 ZINC000642298198 357752180 /nfs/dbraw/zinc/75/21/80/357752180.db2.gz LQLUPOHURVFGPL-UHFFFAOYSA-N 2 0 268.361 -0.933 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000642439663 357755165 /nfs/dbraw/zinc/75/51/65/357755165.db2.gz NCUWNCSOBUAAQO-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000642535627 357756205 /nfs/dbraw/zinc/75/62/05/357756205.db2.gz UCNWQYOJWQIRJY-NEPJUHHUSA-N 2 0 294.399 -0.402 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])C1 ZINC000642640202 357757225 /nfs/dbraw/zinc/75/72/25/357757225.db2.gz OTBZRMDSQYUITL-CHWSQXEVSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000642644468 357758117 /nfs/dbraw/zinc/75/81/17/357758117.db2.gz MRULRRHKUMCCRA-VXGBXAGGSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NCC[NH2+]C2CC2)CCC1 ZINC000642698898 357759036 /nfs/dbraw/zinc/75/90/36/357759036.db2.gz ZZVKWIWIHVXAHC-UHFFFAOYSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000642718547 357759754 /nfs/dbraw/zinc/75/97/54/357759754.db2.gz RRFQAWYDHDNRNA-LOWVWBTDSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000642732691 357760532 /nfs/dbraw/zinc/76/05/32/357760532.db2.gz QERXACWOGBPTSU-UPJWGTAASA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000642733285 357760595 /nfs/dbraw/zinc/76/05/95/357760595.db2.gz CJDUIBKVRISUSF-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H](NC(=O)C(=O)NCC[NH2+]C1CC1)C(C)(C)C[NH+](C)C ZINC000642762439 357760851 /nfs/dbraw/zinc/76/08/51/357760851.db2.gz SVEOXXGSSIUHOC-LLVKDONJSA-N 2 0 298.431 -0.053 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000642785775 357761808 /nfs/dbraw/zinc/76/18/08/357761808.db2.gz JGRVXPLJQDUFBH-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000642786035 357761833 /nfs/dbraw/zinc/76/18/33/357761833.db2.gz XWVFNKUCGIZXOC-STQMWFEESA-N 2 0 294.399 -0.545 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000642785712 357762183 /nfs/dbraw/zinc/76/21/83/357762183.db2.gz DUZUKLQXRWKTSB-QWHCGFSZSA-N 2 0 296.415 -0.314 20 0 CBADRP CC(C)(CNC(=O)C(=O)NC1C[NH2+]C1)C[NH+]1CCCC1 ZINC000642787667 357762478 /nfs/dbraw/zinc/76/24/78/357762478.db2.gz XEBJPABQYKFNCF-UHFFFAOYSA-N 2 0 282.388 -0.687 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642801230 357763551 /nfs/dbraw/zinc/76/35/51/357763551.db2.gz JSJLWUZBBIMBIO-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000642889882 357764727 /nfs/dbraw/zinc/76/47/27/357764727.db2.gz VCLXEPOZLYCEPJ-GFCCVEGCSA-N 2 0 296.415 -0.025 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000642897716 357764824 /nfs/dbraw/zinc/76/48/24/357764824.db2.gz GCJBYFRCIMIXIQ-RYUDHWBXSA-N 2 0 282.388 -0.547 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@H](C)[NH3+])C1 ZINC000642908246 357766030 /nfs/dbraw/zinc/76/60/30/357766030.db2.gz MEXQFXYISRKXGX-QWRGUYRKSA-N 2 0 270.377 -0.561 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642909239 357767509 /nfs/dbraw/zinc/76/75/09/357767509.db2.gz IZCJKJDOPXQKNW-JTQLQIEISA-N 2 0 258.366 -0.702 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000642909825 357767526 /nfs/dbraw/zinc/76/75/26/357767526.db2.gz VAKOPOAKDWGCJP-NSHDSACASA-N 2 0 296.371 -0.367 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000642909242 357767766 /nfs/dbraw/zinc/76/77/66/357767766.db2.gz JAFIDWWOZVJVLF-NSHDSACASA-N 2 0 282.388 -0.463 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)[NH3+])C1 ZINC000642910496 357768270 /nfs/dbraw/zinc/76/82/70/357768270.db2.gz HNWDNOCDKRPSKF-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])C[NH+]1CCCCC1 ZINC000642910013 357768452 /nfs/dbraw/zinc/76/84/52/357768452.db2.gz YFWQHKAQRXOBDG-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000642914846 357769335 /nfs/dbraw/zinc/76/93/35/357769335.db2.gz OKMQDUUVNLIYNW-OLZOCXBDSA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642918486 357770292 /nfs/dbraw/zinc/77/02/92/357770292.db2.gz WOGNDOYSKFZYPG-CYBMUJFWSA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642918487 357770388 /nfs/dbraw/zinc/77/03/88/357770388.db2.gz WOGNDOYSKFZYPG-ZDUSSCGKSA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642919656 357770543 /nfs/dbraw/zinc/77/05/43/357770543.db2.gz CTLQJHJSBGIMLJ-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642920081 357771462 /nfs/dbraw/zinc/77/14/62/357771462.db2.gz XPAPRJRFRGEDAX-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000642939170 357772299 /nfs/dbraw/zinc/77/22/99/357772299.db2.gz FSNHFMWPSBTQTN-NWDGAFQWSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000642940928 357772646 /nfs/dbraw/zinc/77/26/46/357772646.db2.gz IMKZRCARHDXNFI-NWDGAFQWSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)[C@H]1CCC[NH2+]1 ZINC000643460861 357783189 /nfs/dbraw/zinc/78/31/89/357783189.db2.gz QGLYYGQPLQWJNT-WDEREUQCSA-N 2 0 263.407 -0.002 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000643471885 357784148 /nfs/dbraw/zinc/78/41/48/357784148.db2.gz NWWQRSBXMHBTND-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000643504192 357785590 /nfs/dbraw/zinc/78/55/90/357785590.db2.gz UAUPDAUCLBJVSG-STQMWFEESA-N 2 0 294.399 -0.367 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000643505817 357787051 /nfs/dbraw/zinc/78/70/51/357787051.db2.gz ZQOZESYDGBUYFF-XQQFMLRXSA-N 2 0 294.399 -0.783 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)[C@H](C)C[NH2+]1 ZINC000643585532 357789997 /nfs/dbraw/zinc/78/99/97/357789997.db2.gz CMVXRSQPQDRKOR-FVCCEPFGSA-N 2 0 294.399 -0.642 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252866189 283349896 /nfs/dbraw/zinc/34/98/96/283349896.db2.gz QDKZPOGPGPLFGO-DCAQKATOSA-N 2 0 268.361 -0.109 20 0 CBADRP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224293520 283360071 /nfs/dbraw/zinc/36/00/71/283360071.db2.gz SARHKQMKJTWZIQ-ZJUUUORDSA-N 2 0 256.350 -0.109 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000516463179 291151635 /nfs/dbraw/zinc/15/16/35/291151635.db2.gz UCTMMJAZMHBNJP-WOPDTQHZSA-N 2 0 283.372 -0.181 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000373891192 291193548 /nfs/dbraw/zinc/19/35/48/291193548.db2.gz HKBSCXCMUUSZAC-PSASIEDQSA-N 2 0 263.345 -0.074 20 0 CBADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)CC(N)=O)CC1 ZINC000341896248 216142457 /nfs/dbraw/zinc/14/24/57/216142457.db2.gz IZAXAYLQPCZDAC-NWDGAFQWSA-N 2 0 256.394 -0.134 20 0 CBADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000178821528 296015786 /nfs/dbraw/zinc/01/57/86/296015786.db2.gz WKYQVIFDTFYNAL-OLZOCXBDSA-N 2 0 267.373 -0.081 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000342005972 216185848 /nfs/dbraw/zinc/18/58/48/216185848.db2.gz XCODGCFXKZCFLI-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000519635689 283586577 /nfs/dbraw/zinc/58/65/77/283586577.db2.gz AIUIEOUJOPZCPJ-AGIUHOORSA-N 2 0 296.415 -0.170 20 0 CBADRP CS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342130832 216230268 /nfs/dbraw/zinc/23/02/68/216230268.db2.gz NYWRXNKTSHMXDP-GARJFASQSA-N 2 0 261.391 -0.405 20 0 CBADRP CS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342130833 216230323 /nfs/dbraw/zinc/23/03/23/216230323.db2.gz NYWRXNKTSHMXDP-HBNTYKKESA-N 2 0 261.391 -0.405 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000358889059 296055271 /nfs/dbraw/zinc/05/52/71/296055271.db2.gz SMGIUPMGOGCFMC-LBPRGKRZSA-N 2 0 267.373 -0.033 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370771798 296055502 /nfs/dbraw/zinc/05/55/02/296055502.db2.gz IDQQCUMGICUNAB-DGAVXFQQSA-N 2 0 279.384 -0.083 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@H]([NH3+])CCC(=O)OC ZINC000342646355 216452716 /nfs/dbraw/zinc/45/27/16/216452716.db2.gz GMZXPTJCRHFXRY-SNVBAGLBSA-N 2 0 259.350 -0.275 20 0 CBADRP CN(CCNC(=O)/C=C/C[NH+](C)C)C(=O)/C=C/C[NH+](C)C ZINC000275822693 193139064 /nfs/dbraw/zinc/13/90/64/193139064.db2.gz FGYMPHDIMQWMPU-CDJQDVQCSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000343130514 216668168 /nfs/dbraw/zinc/66/81/68/216668168.db2.gz PLLPQOBWAPIXFO-UONOGXRCSA-N 2 0 282.432 -0.062 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCC[NH2+]C1CC1 ZINC000574205734 335000853 /nfs/dbraw/zinc/00/08/53/335000853.db2.gz OKLMRHAWHGJRSC-NSHDSACASA-N 2 0 268.361 -0.887 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000353441987 294408098 /nfs/dbraw/zinc/40/80/98/294408098.db2.gz GBTNOXLAWNUNQE-DGCLKSJQSA-N 2 0 287.404 -0.489 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000574325518 335010881 /nfs/dbraw/zinc/01/08/81/335010881.db2.gz DKFJJHVKKABHBB-SCRDCRAPSA-N 2 0 296.415 -0.410 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000574318280 335009860 /nfs/dbraw/zinc/00/98/60/335009860.db2.gz HUBLEAGXLBRALX-GFCCVEGCSA-N 2 0 282.388 -0.734 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000574336226 335011680 /nfs/dbraw/zinc/01/16/80/335011680.db2.gz LOVHPYXBGVRDPB-SOUVJXGZSA-N 2 0 285.432 -0.049 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261704232 296137414 /nfs/dbraw/zinc/13/74/14/296137414.db2.gz FURAOXJJGKWRSX-LLVKDONJSA-N 2 0 253.346 -0.423 20 0 CBADRP Cc1nc(N[C@@H](C)C[NH+](C)C)nc(N[C@@H](C)C[NH+](C)C)n1 ZINC000343794139 216919020 /nfs/dbraw/zinc/91/90/20/216919020.db2.gz OTMBGSNWEWRLBH-QWRGUYRKSA-N 2 0 295.435 -0.252 20 0 CBADRP CC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000236852067 189848652 /nfs/dbraw/zinc/84/86/52/189848652.db2.gz HVDYTYXQYJAHAN-STQMWFEESA-N 2 0 269.389 -0.053 20 0 CBADRP CN(CCC[N@H+](C)CCN1C(=O)CNC1=O)CC[NH+](C)C ZINC000344035388 217020018 /nfs/dbraw/zinc/02/00/18/217020018.db2.gz SACAKHRFUSMUIE-UHFFFAOYSA-N 2 0 299.419 -0.647 20 0 CBADRP CN(CCC[N@H+](C)CCN1CCNC1=O)CC[NH+](C)C ZINC000344063329 217031735 /nfs/dbraw/zinc/03/17/35/217031735.db2.gz NLCDVBIZEHIGJK-UHFFFAOYSA-N 2 0 285.436 -0.173 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000333146232 205069879 /nfs/dbraw/zinc/06/98/79/205069879.db2.gz DQKHUQAWLCGRJZ-RDBSUJKOSA-N 2 0 296.415 -0.042 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000353432988 220080436 /nfs/dbraw/zinc/08/04/36/220080436.db2.gz SRQAJFZNAHACQM-MWLCHTKSSA-N 2 0 261.391 -0.486 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000158227118 372811383 /nfs/dbraw/zinc/81/13/83/372811383.db2.gz FGAVBOQVJLKAIQ-CYBMUJFWSA-N 2 0 268.405 -0.036 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000353446497 220089294 /nfs/dbraw/zinc/08/92/94/220089294.db2.gz JWPRCAGFIIARHT-NWDGAFQWSA-N 2 0 255.362 -0.096 20 0 CBADRP CC1(C)COCCN1CCNC(=O)C[NH2+]C1CC1 ZINC000178925336 372840806 /nfs/dbraw/zinc/84/08/06/372840806.db2.gz RKRPRNMMTNZUMN-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H](C[NH3+])OC)C1 ZINC000353449619 220088041 /nfs/dbraw/zinc/08/80/41/220088041.db2.gz NVXPTIPMXBBLLD-OLZOCXBDSA-N 2 0 287.404 -0.081 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000353464762 220099292 /nfs/dbraw/zinc/09/92/92/220099292.db2.gz YTSSCYSRSIJXKH-GFCCVEGCSA-N 2 0 272.393 -0.898 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000217707744 372868573 /nfs/dbraw/zinc/86/85/73/372868573.db2.gz GKSVFZVTUAHXEK-IJLUTSLNSA-N 2 0 255.362 -0.300 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000238080399 189898930 /nfs/dbraw/zinc/89/89/30/189898930.db2.gz HQWZPMKHLHDLSG-RDBSUJKOSA-N 2 0 280.416 -0.072 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[NH2+]CCO2)C[N@@H+]1C1CC1 ZINC000333367110 205258101 /nfs/dbraw/zinc/25/81/01/205258101.db2.gz LXVWWDMXXANOPV-NTZNESFSSA-N 2 0 282.388 -0.101 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000332669236 373005013 /nfs/dbraw/zinc/00/50/13/373005013.db2.gz RKSHPLMQXZMRSH-VXGBXAGGSA-N 2 0 280.372 -0.757 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCC(C)(C)[NH3+])CC[C@@H]21 ZINC000332725702 373005737 /nfs/dbraw/zinc/00/57/37/373005737.db2.gz PSZSITMGZYRCDL-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343995326 373053890 /nfs/dbraw/zinc/05/38/90/373053890.db2.gz YPAAMQCFTRONAG-RRFJBIMHSA-N 2 0 285.432 -0.049 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000333495592 205372717 /nfs/dbraw/zinc/37/27/17/205372717.db2.gz CTZKBSSKAFRHTQ-TUAOUCFPSA-N 2 0 270.377 -0.243 20 0 CBADRP C[C@@H](O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000345145576 373061668 /nfs/dbraw/zinc/06/16/68/373061668.db2.gz ARPKNDFXCRKWQU-LLVKDONJSA-N 2 0 257.378 -0.148 20 0 CBADRP CN(CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCC[NH+]1C ZINC000333508489 205387020 /nfs/dbraw/zinc/38/70/20/205387020.db2.gz XFQQLTOJLXGDLE-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H](CNC(=O)CNC(=O)C[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000347669013 373073811 /nfs/dbraw/zinc/07/38/11/373073811.db2.gz MGXYFSKUNQVRFF-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000351839694 373099412 /nfs/dbraw/zinc/09/94/12/373099412.db2.gz LOUAYYRQDPOZSN-RWMBFGLXSA-N 2 0 296.415 -0.408 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CCSC)C1 ZINC000353581234 220172589 /nfs/dbraw/zinc/17/25/89/220172589.db2.gz NJKDIMSOWOEYBI-GHMZBOCLSA-N 2 0 275.418 -0.096 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000360836237 373239793 /nfs/dbraw/zinc/23/97/93/373239793.db2.gz YWVGCRCZDJTKLE-HNNXBMFYSA-N 2 0 280.416 -0.164 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000353582757 220171450 /nfs/dbraw/zinc/17/14/50/220171450.db2.gz RUWGWXFYLUGVQH-LBPRGKRZSA-N 2 0 255.362 -0.177 20 0 CBADRP CCC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000353600692 220184186 /nfs/dbraw/zinc/18/41/86/220184186.db2.gz XNXIUCFRTHEVBV-NWDGAFQWSA-N 2 0 284.404 -0.183 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000362069624 373364372 /nfs/dbraw/zinc/36/43/72/373364372.db2.gz UPUJZEWRJJOXNS-ZIAGYGMSSA-N 2 0 297.447 -0.175 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000362516574 373420728 /nfs/dbraw/zinc/42/07/28/373420728.db2.gz QRPHYAKBAPTAQY-STQMWFEESA-N 2 0 268.405 -0.452 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000362516571 373421959 /nfs/dbraw/zinc/42/19/59/373421959.db2.gz QRPHYAKBAPTAQY-CHWSQXEVSA-N 2 0 268.405 -0.452 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000362763876 373444008 /nfs/dbraw/zinc/44/40/08/373444008.db2.gz WZWRGWHMEUCJQX-RDBSUJKOSA-N 2 0 282.432 -0.064 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000362883395 373458826 /nfs/dbraw/zinc/45/88/26/373458826.db2.gz QZLZFOMUPXAISL-XQHKEYJVSA-N 2 0 267.373 -0.275 20 0 CBADRP O=C(NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)[C@H]1C[NH2+]CCO1 ZINC000363743608 373507588 /nfs/dbraw/zinc/50/75/88/373507588.db2.gz OKGHVMDJEDLBJJ-MGPQQGTHSA-N 2 0 297.399 -0.408 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399020668 373584498 /nfs/dbraw/zinc/58/44/98/373584498.db2.gz HYBQESNMEVCBCW-RYUDHWBXSA-N 2 0 254.378 -0.524 20 0 CBADRP [NH3+]C1(C(=O)N2CCN(CCO)CC2)Cc2ccccc2C1 ZINC000367497744 373538036 /nfs/dbraw/zinc/53/80/36/373538036.db2.gz NDIOGCDXZVNJBR-UHFFFAOYSA-N 2 0 289.379 -0.381 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)C1 ZINC000374506919 373563522 /nfs/dbraw/zinc/56/35/22/373563522.db2.gz QYONFYXTKHMXJO-KKOKHZNYSA-N 2 0 253.346 -0.297 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCO3)C[C@@H]21 ZINC000374594752 373564592 /nfs/dbraw/zinc/56/45/92/373564592.db2.gz NLBMHFYBILUWFG-KXNHARMFSA-N 2 0 253.346 -0.439 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]CCO3)C[C@@H]21 ZINC000376240156 373568952 /nfs/dbraw/zinc/56/89/52/373568952.db2.gz NLBMHFYBILUWFG-NNYUYHANSA-N 2 0 253.346 -0.439 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)NCC(C)(C)[NH3+] ZINC000417086388 373625313 /nfs/dbraw/zinc/62/53/13/373625313.db2.gz CROWHBJSPIGTBQ-UHFFFAOYSA-N 2 0 260.382 -0.009 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000417448051 373627782 /nfs/dbraw/zinc/62/77/82/373627782.db2.gz SRYCLNCTKPQHTF-NWDGAFQWSA-N 2 0 272.393 -0.044 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417438627 373627889 /nfs/dbraw/zinc/62/78/89/373627889.db2.gz JXSRRDQQMYMZSC-NSHDSACASA-N 2 0 258.366 -0.399 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000417096212 373627904 /nfs/dbraw/zinc/62/79/04/373627904.db2.gz VTKXABMMWKTQOD-GHMZBOCLSA-N 2 0 260.382 -0.010 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417788782 373629224 /nfs/dbraw/zinc/62/92/24/373629224.db2.gz UKQUCOMTDNDZRT-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP [NH3+]C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000418405946 373631685 /nfs/dbraw/zinc/63/16/85/373631685.db2.gz RTNDMBUQXPXNSB-OLZOCXBDSA-N 2 0 284.404 -0.130 20 0 CBADRP C[C@H]1CCN(C(=O)NCCN2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000418296242 373631799 /nfs/dbraw/zinc/63/17/99/373631799.db2.gz JNSFYDKTUIKCKE-QWHCGFSZSA-N 2 0 283.420 -0.340 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)NCCNc1cc[nH+]cc1 ZINC000418561622 373633853 /nfs/dbraw/zinc/63/38/53/373633853.db2.gz QRCNUCCZYZNDIS-SNVBAGLBSA-N 2 0 251.334 -0.048 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC[NH3+] ZINC000419032918 373634892 /nfs/dbraw/zinc/63/48/92/373634892.db2.gz XPXVZSCFEAXUMU-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419136216 373636313 /nfs/dbraw/zinc/63/63/13/373636313.db2.gz MUXURSGKJSPKEN-YNEHKIRRSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CCC[N@@H+]1C ZINC000419538917 373638307 /nfs/dbraw/zinc/63/83/07/373638307.db2.gz AKSYXKULUXRDCZ-UPJWGTAASA-N 2 0 296.415 -0.075 20 0 CBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419783819 373639883 /nfs/dbraw/zinc/63/98/83/373639883.db2.gz VQMLKNJBVDTBEX-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000419982509 373647063 /nfs/dbraw/zinc/64/70/63/373647063.db2.gz SZQTUUGLDVHWFG-JHJVBQTASA-N 2 0 296.415 -0.362 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)C(C)C ZINC000420103306 373648683 /nfs/dbraw/zinc/64/86/83/373648683.db2.gz PGIKMFMWANTQAD-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423236955 373655198 /nfs/dbraw/zinc/65/51/98/373655198.db2.gz HQCSABNFAJPSCS-LBPRGKRZSA-N 2 0 298.431 -0.018 20 0 CBADRP CN(C(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000423273629 373655865 /nfs/dbraw/zinc/65/58/65/373655865.db2.gz LFXLXJWDGVMOFV-YPMHNXCESA-N 2 0 294.399 -0.369 20 0 CBADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000423625001 373660051 /nfs/dbraw/zinc/66/00/51/373660051.db2.gz CIWNPKANEDCIMF-RVMXOQNASA-N 2 0 296.415 -0.267 20 0 CBADRP C[C@@H]1C[C@@H](C)N(C(=O)COC2C[NH2+]C2)C[C@@H]1C[NH3+] ZINC000424051309 373662524 /nfs/dbraw/zinc/66/25/24/373662524.db2.gz IZYBUFSOXLHLRG-MXWKQRLJSA-N 2 0 255.362 -0.193 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000431004165 373675588 /nfs/dbraw/zinc/67/55/88/373675588.db2.gz INEGPWUNWICKKJ-STQMWFEESA-N 2 0 284.404 -0.883 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000487168355 373697046 /nfs/dbraw/zinc/69/70/46/373697046.db2.gz ZWBMIZHGCQGYDR-NTZNESFSSA-N 2 0 255.362 -0.633 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000493896405 373735751 /nfs/dbraw/zinc/73/57/51/373735751.db2.gz GAKHYHFUZAYAQE-QWRGUYRKSA-N 2 0 257.378 -0.067 20 0 CBADRP C[C@@H](C(=O)NCCC[NH+]1CCC(O)CC1)[C@H](C)[NH3+] ZINC000493896404 373735762 /nfs/dbraw/zinc/73/57/62/373735762.db2.gz GAKHYHFUZAYAQE-MNOVXSKESA-N 2 0 257.378 -0.067 20 0 CBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000514670824 373760501 /nfs/dbraw/zinc/76/05/01/373760501.db2.gz KTQKSHHUOJARLJ-QWHCGFSZSA-N 2 0 269.389 -0.053 20 0 CBADRP [NH3+]CCCCC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000514725843 373761793 /nfs/dbraw/zinc/76/17/93/373761793.db2.gz UAHOXGYBDYUYSN-LBPRGKRZSA-N 2 0 284.404 -0.039 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC(=O)OC)CC1 ZINC000516461495 373812032 /nfs/dbraw/zinc/81/20/32/373812032.db2.gz RYZNEKRERCCMQV-JTQLQIEISA-N 2 0 257.334 -0.523 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC[NH2+]1 ZINC000516562231 373816777 /nfs/dbraw/zinc/81/67/77/373816777.db2.gz MOJBSVPQBMMXSG-NSHDSACASA-N 2 0 270.377 -0.783 20 0 CBADRP CC[NH+]1CCN(CC(=O)N(C)C2(C[NH3+])CCC2)CC1 ZINC000521253060 373839617 /nfs/dbraw/zinc/83/96/17/373839617.db2.gz TZUBXRWCRNBIOE-UHFFFAOYSA-N 2 0 268.405 -0.036 20 0 CBADRP COC[C@H]([NH3+])C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000519775283 373825527 /nfs/dbraw/zinc/82/55/27/373825527.db2.gz VBILSHNWWMCMJB-LBPRGKRZSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000520226204 373829439 /nfs/dbraw/zinc/82/94/39/373829439.db2.gz BGTPUSIIBVABSL-GFCCVEGCSA-N 2 0 280.372 -0.839 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000520228221 373829714 /nfs/dbraw/zinc/82/97/14/373829714.db2.gz AEUBHBZUDAJNCN-MXWKQRLJSA-N 2 0 255.387 -0.098 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000520226205 373830427 /nfs/dbraw/zinc/83/04/27/373830427.db2.gz BGTPUSIIBVABSL-LBPRGKRZSA-N 2 0 280.372 -0.839 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H]1C ZINC000520232090 373830548 /nfs/dbraw/zinc/83/05/48/373830548.db2.gz RQNROKSAAMCOLK-DCAQKATOSA-N 2 0 268.361 -0.937 20 0 CBADRP CC1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C[NH2+]C1 ZINC000520806547 373835568 /nfs/dbraw/zinc/83/55/68/373835568.db2.gz VRKMEQGTBUUYGM-JTQLQIEISA-N 2 0 268.361 -0.948 20 0 CBADRP C[NH+]1CCN(c2ncccc2C[NH2+]CCC(N)=O)CC1 ZINC000515234262 373779647 /nfs/dbraw/zinc/77/96/47/373779647.db2.gz FFYVITMYCLWDLR-UHFFFAOYSA-N 2 0 277.372 -0.202 20 0 CBADRP CC(C)(C[NH3+])C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000515299960 373782417 /nfs/dbraw/zinc/78/24/17/373782417.db2.gz WGNCYMSUGYPDCW-SNVBAGLBSA-N 2 0 270.377 -0.715 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000515375687 373784516 /nfs/dbraw/zinc/78/45/16/373784516.db2.gz NLLGEHQWUAAJPO-LBPRGKRZSA-N 2 0 297.403 -0.798 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000515380722 373786895 /nfs/dbraw/zinc/78/68/95/373786895.db2.gz FOHUDEQIDIRALM-PWSUYJOCSA-N 2 0 292.387 -0.161 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000515812793 373795020 /nfs/dbraw/zinc/79/50/20/373795020.db2.gz BBIVQJKPJXWXDN-LLVKDONJSA-N 2 0 268.361 -0.985 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000521622322 373846297 /nfs/dbraw/zinc/84/62/97/373846297.db2.gz QKSIYHYCJCSASU-DCAQKATOSA-N 2 0 258.366 -0.129 20 0 CBADRP CC(C)(CC[NH3+])NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000521878024 373852023 /nfs/dbraw/zinc/85/20/23/373852023.db2.gz KUTQNVCNJCKCOJ-SNVBAGLBSA-N 2 0 270.377 -0.512 20 0 CBADRP [NH3+]C[C@H](C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC000522000171 373855697 /nfs/dbraw/zinc/85/56/97/373855697.db2.gz KORRPINCVVFNMW-STQMWFEESA-N 2 0 281.331 -0.027 20 0 CBADRP [NH3+]C[C@@H](C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC000522000170 373856496 /nfs/dbraw/zinc/85/64/96/373856496.db2.gz KORRPINCVVFNMW-QWHCGFSZSA-N 2 0 281.331 -0.027 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529336575 374003897 /nfs/dbraw/zinc/00/38/97/374003897.db2.gz CXGUXFYQHDZNQZ-IJLUTSLNSA-N 2 0 270.377 -0.209 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000529332015 374004064 /nfs/dbraw/zinc/00/40/64/374004064.db2.gz WOTQNGZRGWBTIJ-CYBMUJFWSA-N 2 0 283.420 -0.469 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000529338035 374006626 /nfs/dbraw/zinc/00/66/26/374006626.db2.gz IAVXUSMXMSXQFA-OLZOCXBDSA-N 2 0 283.420 -0.471 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000529341664 374006964 /nfs/dbraw/zinc/00/69/64/374006964.db2.gz KBKWWWWMBDRVAS-WUHRBBMRSA-N 2 0 282.388 -0.338 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000529338963 374007356 /nfs/dbraw/zinc/00/73/56/374007356.db2.gz BLSXWXRPOJHKIC-GHMZBOCLSA-N 2 0 268.361 -0.584 20 0 CBADRP CN1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)[C@@H](C[NH3+])C1 ZINC000529347343 374008819 /nfs/dbraw/zinc/00/88/19/374008819.db2.gz CKYROCGWOICMMI-RYUDHWBXSA-N 2 0 281.404 -0.445 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529354181 374011261 /nfs/dbraw/zinc/01/12/61/374011261.db2.gz JUEQARZSUSBKFB-AAEUAGOBSA-N 2 0 282.388 -0.363 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529372772 374013037 /nfs/dbraw/zinc/01/30/37/374013037.db2.gz HPTAVNIGVWQDPW-GFCCVEGCSA-N 2 0 270.377 -0.290 20 0 CBADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529376198 374017876 /nfs/dbraw/zinc/01/78/76/374017876.db2.gz QHLVZNPCCPMNRP-QWHCGFSZSA-N 2 0 284.404 -0.044 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529387227 374024133 /nfs/dbraw/zinc/02/41/33/374024133.db2.gz KVUUDHVUYCIHJB-CMPLNLGQSA-N 2 0 270.377 -0.256 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529378621 374019636 /nfs/dbraw/zinc/01/96/36/374019636.db2.gz JPQMTTSEDKPFFK-VXGBXAGGSA-N 2 0 270.377 -0.290 20 0 CBADRP C[C@@H]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)C[C@H]1C[NH3+] ZINC000529385812 374024257 /nfs/dbraw/zinc/02/42/57/374024257.db2.gz HNBSGUCQAQUFPR-UTUOFQBUSA-N 2 0 270.377 -0.399 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529387217 374024912 /nfs/dbraw/zinc/02/49/12/374024912.db2.gz KTAZJYFFGYLZCO-SRVKXCTJSA-N 2 0 270.377 -0.114 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529387215 374025077 /nfs/dbraw/zinc/02/50/77/374025077.db2.gz KTAZJYFFGYLZCO-QJPTWQEYSA-N 2 0 270.377 -0.114 20 0 CBADRP O=C1NCC[C@@H]1[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239706 374068407 /nfs/dbraw/zinc/06/84/07/374068407.db2.gz HCZJEUIHJKDHSV-OLZOCXBDSA-N 2 0 267.373 -0.035 20 0 CBADRP NC(=O)NC(=O)CC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241007 374069465 /nfs/dbraw/zinc/06/94/65/374069465.db2.gz OSZAONANRBCSNQ-GFCCVEGCSA-N 2 0 298.387 -0.338 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCN1CCO ZINC000548313337 374193562 /nfs/dbraw/zinc/19/35/62/374193562.db2.gz FETNUSXSIUVVIA-VXGBXAGGSA-N 2 0 255.362 -0.537 20 0 CBADRP CC[NH+](CC)CC(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000552208582 374263870 /nfs/dbraw/zinc/26/38/70/374263870.db2.gz SNFRUARZDDNIAU-AWEZNQCLSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H]1CCNC(=O)[C@H]1NC[C@H](O)C[N@H+](C)C1CC1 ZINC000554946416 374285673 /nfs/dbraw/zinc/28/56/73/374285673.db2.gz JDWJDBGZQYKUKM-USWWRNFRSA-N 2 0 255.362 -0.444 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000577769206 374338956 /nfs/dbraw/zinc/33/89/56/374338956.db2.gz CZTIEBFMYDWUEP-UTUOFQBUSA-N 2 0 270.377 -0.555 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CC[NH2+]C2CC2)C1 ZINC000577866161 374341944 /nfs/dbraw/zinc/34/19/44/374341944.db2.gz ZZXWXNWDOGQFEC-LBPRGKRZSA-N 2 0 296.415 -0.168 20 0 CBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000583321305 374361342 /nfs/dbraw/zinc/36/13/42/374361342.db2.gz ZCYZDTPIFHHZMT-QWHCGFSZSA-N 2 0 268.405 -0.214 20 0 CBADRP C[C@H](Cn1cncn1)[NH2+]C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000583494795 374363943 /nfs/dbraw/zinc/36/39/43/374363943.db2.gz GIZKZIWVMBGPJR-RFGFWPKPSA-N 2 0 297.403 -0.274 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000583753371 374364657 /nfs/dbraw/zinc/36/46/57/374364657.db2.gz XMCIJFBIJVQGTN-SRVKXCTJSA-N 2 0 296.415 -0.171 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC[C@H]21 ZINC000584470996 374375011 /nfs/dbraw/zinc/37/50/11/374375011.db2.gz SERKJCKZHUJQAI-YVECIDJPSA-N 2 0 267.373 -0.348 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000583807559 374367215 /nfs/dbraw/zinc/36/72/15/374367215.db2.gz QKDDCUVJAKOHHL-LSCVPOLPSA-N 2 0 255.362 -0.193 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000583811188 374367568 /nfs/dbraw/zinc/36/75/68/374367568.db2.gz JPZZWWUXNBMDMX-UTLUCORTSA-N 2 0 257.334 -0.537 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000577951778 374346226 /nfs/dbraw/zinc/34/62/26/374346226.db2.gz SPTRQYKBFVRMAS-AVGNSLFASA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000577998949 374348803 /nfs/dbraw/zinc/34/88/03/374348803.db2.gz CLGQTHADAHVBPS-CYBMUJFWSA-N 3 0 285.436 -0.142 20 0 CBADRP CC1(C)C[NH2+]CCN1C(=O)c1cn(CCC[NH3+])nn1 ZINC000644075188 374486342 /nfs/dbraw/zinc/48/63/42/374486342.db2.gz XJYSNKSKGARQGJ-UHFFFAOYSA-N 2 0 266.349 -0.549 20 0 CBADRP CO[C@@H]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000644106038 374489289 /nfs/dbraw/zinc/48/92/89/374489289.db2.gz JXHHYINJMDBTRQ-XQQFMLRXSA-N 2 0 285.388 -0.280 20 0 CBADRP CO[C@@H]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000644106037 374489297 /nfs/dbraw/zinc/48/92/97/374489297.db2.gz JXHHYINJMDBTRQ-UPJWGTAASA-N 2 0 285.388 -0.280 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000644124051 374490676 /nfs/dbraw/zinc/49/06/76/374490676.db2.gz JXWFZIXIVSRDDS-MNOVXSKESA-N 2 0 270.377 -0.573 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CC[NH2+]C1 ZINC000644141983 374492362 /nfs/dbraw/zinc/49/23/62/374492362.db2.gz XIGXLQWQPJQUDB-NHCYSSNCSA-N 2 0 259.325 -0.571 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000644135832 374492553 /nfs/dbraw/zinc/49/25/53/374492553.db2.gz GNJLPLXZNGPLKC-WRWGMCAJSA-N 2 0 255.362 -0.003 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000644149163 374493715 /nfs/dbraw/zinc/49/37/15/374493715.db2.gz CPFFOHMHYUYQGV-QJPTWQEYSA-N 2 0 253.346 -0.425 20 0 CBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000574524535 335026960 /nfs/dbraw/zinc/02/69/60/335026960.db2.gz DQSNKPIEVZDNTB-KGLIPLIRSA-N 2 0 271.405 -0.389 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000644543645 374593155 /nfs/dbraw/zinc/59/31/55/374593155.db2.gz FWRAJXBSKJPLAP-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000644543846 374593211 /nfs/dbraw/zinc/59/32/11/374593211.db2.gz XYBCJJCEHIVLBT-DMDPSCGWSA-N 2 0 253.346 -0.425 20 0 CBADRP CC[C@H](COC)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000644571945 374597354 /nfs/dbraw/zinc/59/73/54/374597354.db2.gz MSRWBEDEUKQXRV-CHWSQXEVSA-N 2 0 259.394 -0.391 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCSC2)CC1 ZINC000644578898 374597392 /nfs/dbraw/zinc/59/73/92/374597392.db2.gz BJYJTIYYYLZILT-NEPJUHHUSA-N 2 0 259.419 -0.310 20 0 CBADRP COC1CC[NH+](CCNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000646181096 374750609 /nfs/dbraw/zinc/75/06/09/374750609.db2.gz VMWBPTQCQQXYON-UHFFFAOYSA-N 2 0 285.388 -0.408 20 0 CBADRP COC1CC[NH+](CCNC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000646180857 374750666 /nfs/dbraw/zinc/75/06/66/374750666.db2.gz GULQMWBFZGQROW-CYBMUJFWSA-N 2 0 285.388 -0.408 20 0 CBADRP C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000646208006 374755559 /nfs/dbraw/zinc/75/55/59/374755559.db2.gz PHUDZXJBDZYGDD-CMPLNLGQSA-N 2 0 255.362 -0.348 20 0 CBADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000574533354 335028035 /nfs/dbraw/zinc/02/80/35/335028035.db2.gz FUZJNGPQCIYEBQ-LBPRGKRZSA-N 2 0 294.399 -0.449 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000645951641 374716661 /nfs/dbraw/zinc/71/66/61/374716661.db2.gz SATMMSDEGDRZQE-SDDRHHMPSA-N 2 0 255.362 -0.179 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953212 374717672 /nfs/dbraw/zinc/71/76/72/374717672.db2.gz IUOQINKEZPRLGR-LBPRGKRZSA-N 2 0 267.373 -0.035 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645966022 374721005 /nfs/dbraw/zinc/72/10/05/374721005.db2.gz OPFMSACKBUKNDF-MNOVXSKESA-N 2 0 254.378 -0.654 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000646002863 374724320 /nfs/dbraw/zinc/72/43/20/374724320.db2.gz HTNNIGDGAPAWLK-QWHCGFSZSA-N 2 0 268.405 -0.038 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)COCC[NH3+])CC2)C1 ZINC000646002756 374724348 /nfs/dbraw/zinc/72/43/48/374724348.db2.gz BSWZBVQHRLJCCO-CYBMUJFWSA-N 2 0 284.404 -0.800 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000646003144 374724586 /nfs/dbraw/zinc/72/45/86/374724586.db2.gz UKCFQNLKAZEZFE-CHWSQXEVSA-N 2 0 268.405 -0.038 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C[NH2+]C3CC3)CC2)C1 ZINC000646002718 374725001 /nfs/dbraw/zinc/72/50/01/374725001.db2.gz AFAQOSFVCAYUAP-AWEZNQCLSA-N 2 0 280.416 -0.023 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009357 374727203 /nfs/dbraw/zinc/72/72/03/374727203.db2.gz DXNQQVNRCCRSIR-MELADBBJSA-N 2 0 298.431 -0.508 20 0 CBADRP CC1(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[NH2+]C1 ZINC000646009616 374727843 /nfs/dbraw/zinc/72/78/43/374727843.db2.gz XEWVKQVIBUENPF-CYBMUJFWSA-N 2 0 296.415 -0.881 20 0 CBADRP C[C@H](CNC(=O)CC(C)(C)[NH3+])N1CC[NH+](C)CC1 ZINC000646026961 374732038 /nfs/dbraw/zinc/73/20/38/374732038.db2.gz HYUSWLRJZZFQGZ-LLVKDONJSA-N 2 0 256.394 -0.134 20 0 CBADRP CCOCCNC(=O)CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104658 374740255 /nfs/dbraw/zinc/74/02/55/374740255.db2.gz KCQOFRAUSLCERH-UHFFFAOYSA-N 2 0 299.415 -0.064 20 0 CBADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000646116448 374742340 /nfs/dbraw/zinc/74/23/40/374742340.db2.gz WYQWDOYSNZOQTN-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000646600398 374794330 /nfs/dbraw/zinc/79/43/30/374794330.db2.gz LELNAUVSZKYARI-YPMHNXCESA-N 2 0 279.340 -0.200 20 0 CBADRP CN(C(=O)C[NH2+]C[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000646626766 374795629 /nfs/dbraw/zinc/79/56/29/374795629.db2.gz DHNACOGFYHUWEZ-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCC[NH2+]1 ZINC000646649510 374799415 /nfs/dbraw/zinc/79/94/15/374799415.db2.gz ITCAVUNQIDNQGC-RYUDHWBXSA-N 2 0 282.388 -0.497 20 0 CBADRP C[NH2+]CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000646680229 374803821 /nfs/dbraw/zinc/80/38/21/374803821.db2.gz ATXVABGVYZJLDS-OUJBWJOFSA-N 2 0 255.362 -0.146 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CC[NH2+]C1 ZINC000646760522 374809724 /nfs/dbraw/zinc/80/97/24/374809724.db2.gz LCGSISUABIZQHC-LOWVWBTDSA-N 2 0 255.362 -0.192 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC([NH2+]CC2CC2)CC1 ZINC000646789423 374814268 /nfs/dbraw/zinc/81/42/68/374814268.db2.gz PFSAJVKRTUTYII-ZDUSSCGKSA-N 2 0 267.373 -0.035 20 0 CBADRP CC(C)(C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)N1CC[NH2+]CC1 ZINC000646336002 374771049 /nfs/dbraw/zinc/77/10/49/374771049.db2.gz FLTDEBXLWRVIIF-STQMWFEESA-N 2 0 280.416 -0.119 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000646533835 374784530 /nfs/dbraw/zinc/78/45/30/374784530.db2.gz FTKUYUBLVJSEEP-NSHDSACASA-N 2 0 255.362 -0.225 20 0 CBADRP CCC[C@@](C)([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000646576206 374790826 /nfs/dbraw/zinc/79/08/26/374790826.db2.gz GGPGCRHOYWICBT-CYBMUJFWSA-N 2 0 256.394 -0.085 20 0 CBADRP C[C@H](CCCC[NH3+])NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000647051266 374875257 /nfs/dbraw/zinc/87/52/57/374875257.db2.gz HDIQFQRWNVRXLM-GHMZBOCLSA-N 2 0 270.377 -0.512 20 0 CBADRP [NH3+]CC[C@H](NC(=O)CCOC1C[NH2+]C1)C(F)F ZINC000647072016 374879420 /nfs/dbraw/zinc/87/94/20/374879420.db2.gz MBVPQPYPNFIWKN-QMMMGPOBSA-N 2 0 251.277 -0.536 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@H]1C[NH2+]CCC1(F)F ZINC000647075777 374879565 /nfs/dbraw/zinc/87/95/65/374879565.db2.gz NNJJKZHQJLOUNJ-BDAKNGLRSA-N 2 0 263.288 -0.522 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000647087921 374884318 /nfs/dbraw/zinc/88/43/18/374884318.db2.gz WVOMFCJUVPPQBO-NWDGAFQWSA-N 2 0 292.387 -0.102 20 0 CBADRP O=C([C@@H]1C[NH2+]CCC1(F)F)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000647113493 374887051 /nfs/dbraw/zinc/88/70/51/374887051.db2.gz HLHFJGXDIARSMZ-AEJSXWLSSA-N 2 0 259.300 -0.091 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000646917851 374841922 /nfs/dbraw/zinc/84/19/22/374841922.db2.gz ITTREFAHDGBQML-UONOGXRCSA-N 2 0 280.416 -0.214 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CCC[NH2+]CC2)CC[NH2+]C1 ZINC000646984925 374855728 /nfs/dbraw/zinc/85/57/28/374855728.db2.gz DMYAFXSUHIIHPB-YPMHNXCESA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@H]1CN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC[NH2+]1 ZINC000574549190 335028906 /nfs/dbraw/zinc/02/89/06/335028906.db2.gz PFDJJYYTIURDHW-DTWKUNHWSA-N 2 0 262.304 -0.013 20 0 CBADRP COC[C@@]1(C(=O)N2CCC(C)([NH3+])CC2)CC[NH2+]C1 ZINC000646993081 374857215 /nfs/dbraw/zinc/85/72/15/374857215.db2.gz GUFRQRSULLPXMB-CYBMUJFWSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000646997985 374857333 /nfs/dbraw/zinc/85/73/33/374857333.db2.gz AFZDRCMPTGPKFO-GMTAPVOTSA-N 2 0 268.361 -0.759 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)nn1 ZINC000646996520 374857488 /nfs/dbraw/zinc/85/74/88/374857488.db2.gz CZXATBDGIVZAGQ-UWVGGRQHSA-N 2 0 266.349 -0.373 20 0 CBADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000574551159 335028933 /nfs/dbraw/zinc/02/89/33/335028933.db2.gz BCCJWRFMLJEMFG-UHFFFAOYSA-N 2 0 296.415 -0.345 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000647017886 374859980 /nfs/dbraw/zinc/85/99/80/374859980.db2.gz GGHBMTDABDYZQZ-STQMWFEESA-N 2 0 296.415 -0.168 20 0 CBADRP CC[C@H]1CN(C(=O)CCOC2C[NH2+]C2)CC[C@@H]1[NH3+] ZINC000647015231 374860571 /nfs/dbraw/zinc/86/05/71/374860571.db2.gz KUKDXCVVHMGSLB-JQWIXIFHSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]([NH3+])CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000647020922 374861733 /nfs/dbraw/zinc/86/17/33/374861733.db2.gz RMRYTXIZDLZJFA-GXSJLCMTSA-N 2 0 251.334 -0.115 20 0 CBADRP C[C@H]([NH3+])CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000647022846 374863053 /nfs/dbraw/zinc/86/30/53/374863053.db2.gz HZZKPHINZKRLJE-QISWUMQESA-N 2 0 255.362 -0.018 20 0 CBADRP C[C@@H]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000574637046 335035854 /nfs/dbraw/zinc/03/58/54/335035854.db2.gz QTMIUPZGXMEAPT-GRYCIOLGSA-N 2 0 255.362 -0.192 20 0 CBADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CNC(=O)C[NH3+] ZINC000262351373 190053447 /nfs/dbraw/zinc/05/34/47/190053447.db2.gz FEPDXHMRUSBEJV-CYBMUJFWSA-N 2 0 292.383 -0.650 20 0 CBADRP C[NH+](C)Cc1cccc(CNC(=O)CNC(=O)C[NH3+])c1 ZINC000262335361 190053499 /nfs/dbraw/zinc/05/34/99/190053499.db2.gz BRUNSCCLLCWBBT-UHFFFAOYSA-N 2 0 278.356 -0.561 20 0 CBADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CNC(=O)C[NH3+] ZINC000262351374 190053599 /nfs/dbraw/zinc/05/35/99/190053599.db2.gz FEPDXHMRUSBEJV-ZDUSSCGKSA-N 2 0 292.383 -0.650 20 0 CBADRP [NH3+]CC(=O)NCC(=O)NCCN1CCc2sccc2C1 ZINC000262381884 190053906 /nfs/dbraw/zinc/05/39/06/190053906.db2.gz KQEZZBHQKRWNRD-UHFFFAOYSA-N 2 0 296.396 -0.703 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000356383592 248243000 /nfs/dbraw/zinc/24/30/00/248243000.db2.gz BVBXREPAGPOEAT-SCVCMEIPSA-N 2 0 270.377 -0.705 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[C@@H](C)C[NH2+]1 ZINC000356397575 248243787 /nfs/dbraw/zinc/24/37/87/248243787.db2.gz XXYVYPRYAPUTKJ-FRRDWIJNSA-N 2 0 296.415 -0.395 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000357243079 248337490 /nfs/dbraw/zinc/33/74/90/248337490.db2.gz PYLFDCUVCVZTLT-VXGBXAGGSA-N 2 0 271.361 -0.798 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000357225472 248334841 /nfs/dbraw/zinc/33/48/41/248334841.db2.gz NIUKYHKFYSFESZ-KGLIPLIRSA-N 2 0 298.431 -0.493 20 0 CBADRP C[C@H](CNC(=O)[C@H](C)C[NH3+])C[NH+]1CCN(C)CC1 ZINC000357240095 248338559 /nfs/dbraw/zinc/33/85/59/248338559.db2.gz JEWBFGBOFLASHH-VXGBXAGGSA-N 2 0 256.394 -0.419 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000357249353 248339513 /nfs/dbraw/zinc/33/95/13/248339513.db2.gz SEMRDJANRNHQFP-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000357296207 248348052 /nfs/dbraw/zinc/34/80/52/248348052.db2.gz KVCIPDYBDYISFD-PRULPYPASA-N 2 0 255.362 -0.132 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000357303238 248348097 /nfs/dbraw/zinc/34/80/97/248348097.db2.gz IHQZEVWIQLQANE-XRRVDJEJSA-N 2 0 284.404 -0.411 20 0 CBADRP [NH3+]C[C@@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CCO1 ZINC000358133302 248456322 /nfs/dbraw/zinc/45/63/22/248456322.db2.gz FNAFWXAALUJULM-CQSZACIVSA-N 2 0 296.415 -0.611 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2(COC)CC[NH2+]CC2)C1 ZINC000369100544 248776156 /nfs/dbraw/zinc/77/61/56/248776156.db2.gz PQGPKPPLNVOVEP-CYBMUJFWSA-N 2 0 299.415 -0.161 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000574661205 335038119 /nfs/dbraw/zinc/03/81/19/335038119.db2.gz OZAHFCWKFSLBAL-AAEUAGOBSA-N 2 0 257.378 -0.243 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H](N)CC[NH+](C)C ZINC000653129001 412885137 /nfs/dbraw/zinc/88/51/37/412885137.db2.gz JFUMYPXVIYVCOQ-RYUDHWBXSA-N 2 0 256.394 -0.134 20 0 CBADRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(=O)n(C)c1=O ZINC000346863707 218041310 /nfs/dbraw/zinc/04/13/10/218041310.db2.gz XYUWUDZNQNBZEI-UHTWSYAYSA-N 2 0 292.383 -0.357 20 0 CBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)C[NH3+])C[C@H]1C ZINC000347607517 218289533 /nfs/dbraw/zinc/28/95/33/218289533.db2.gz CBSSKKOKLXTSNO-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)CCC[NH2+]C ZINC000419785208 284790620 /nfs/dbraw/zinc/79/06/20/284790620.db2.gz SAIKEHWHSNZGKE-GFCCVEGCSA-N 2 0 286.420 -0.099 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)N1CCN(c2nccn2C)CC1 ZINC000266908172 190289233 /nfs/dbraw/zinc/28/92/33/190289233.db2.gz IHWKEZBGRNRTBI-JTQLQIEISA-N 2 0 294.359 -0.614 20 0 CBADRP CNC(=O)NC(=O)[C@@H](C)N1CCN(c2nccn2C)CC1 ZINC000266908174 190289622 /nfs/dbraw/zinc/28/96/22/190289622.db2.gz IHWKEZBGRNRTBI-SNVBAGLBSA-N 2 0 294.359 -0.614 20 0 CBADRP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000347660061 218311919 /nfs/dbraw/zinc/31/19/19/218311919.db2.gz SDWZQXTUULMSJX-GFCCVEGCSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)CCC[N@@H+]1C ZINC000347767401 218349111 /nfs/dbraw/zinc/34/91/11/218349111.db2.gz UTOCKTPUKKLIFT-NEPJUHHUSA-N 2 0 284.404 -0.395 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000167263724 207397078 /nfs/dbraw/zinc/39/70/78/207397078.db2.gz WTRGCUGZXPEUPC-CHWSQXEVSA-N 2 0 285.388 -0.408 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)C1CC1 ZINC000261907957 207475449 /nfs/dbraw/zinc/47/54/49/207475449.db2.gz XHABVEOFPYCSDZ-WOPDTQHZSA-N 2 0 255.362 -0.051 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)NCC[N@H+]1CC=CCC1 ZINC000574787316 335047277 /nfs/dbraw/zinc/04/72/77/335047277.db2.gz UPTQXQCAINCLRW-ZDUSSCGKSA-N 2 0 281.404 -0.549 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)N(CC[NH3+])CCO ZINC000417809855 207565313 /nfs/dbraw/zinc/56/53/13/207565313.db2.gz HUEUSLKSTFZRAI-UHFFFAOYSA-N 2 0 260.382 -0.319 20 0 CBADRP C[NH+](C)CCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418769487 207605373 /nfs/dbraw/zinc/60/53/73/207605373.db2.gz RUBJABAQWJEYKP-QMMMGPOBSA-N 2 0 250.293 -0.156 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000418843069 207613839 /nfs/dbraw/zinc/61/38/39/207613839.db2.gz RDBXOVLQMVUJHS-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000419158470 207654884 /nfs/dbraw/zinc/65/48/84/207654884.db2.gz XUOKTTVNETXJTI-NSHDSACASA-N 2 0 272.393 -0.441 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000349024885 285020580 /nfs/dbraw/zinc/02/05/80/285020580.db2.gz FVGHUWDXCRKQSD-GFCCVEGCSA-N 2 0 285.388 -0.408 20 0 CBADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NCCC[NH3+])C1 ZINC000419416444 207690687 /nfs/dbraw/zinc/69/06/87/207690687.db2.gz HFLZFDYADISIOY-STQMWFEESA-N 2 0 298.431 -0.064 20 0 CBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N(C)CC[NH3+])C1 ZINC000419419461 207690806 /nfs/dbraw/zinc/69/08/06/207690806.db2.gz ZAACHTJPASXEQM-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@]2(CCOC)CC[NH2+]C2)C1 ZINC000376720045 532985907 /nfs/dbraw/zinc/98/59/07/532985907.db2.gz KEQKDVLOSLPJNM-ZFWWWQNUSA-N 2 0 299.415 -0.161 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000419823712 207740278 /nfs/dbraw/zinc/74/02/78/207740278.db2.gz MGAQZWGWTJOOGZ-VXGBXAGGSA-N 2 0 284.404 -0.455 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000493968594 532989433 /nfs/dbraw/zinc/98/94/33/532989433.db2.gz LDYFHAUBCMIZPC-GRYCIOLGSA-N 2 0 256.394 -0.278 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000419717802 207724416 /nfs/dbraw/zinc/72/44/16/207724416.db2.gz UZAPHNBIHROWIT-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCC[NH3+] ZINC000417570843 285034060 /nfs/dbraw/zinc/03/40/60/285034060.db2.gz SGQICAOHTGHGHV-NSHDSACASA-N 2 0 258.366 -0.255 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419886189 207755559 /nfs/dbraw/zinc/75/55/59/207755559.db2.gz IBVJMZGZKZAXOT-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000423625981 207918900 /nfs/dbraw/zinc/91/89/00/207918900.db2.gz RVIWNDUMMTVZTG-STQMWFEESA-N 2 0 296.415 -0.121 20 0 CBADRP C[NH2+]CCCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424061951 207958056 /nfs/dbraw/zinc/95/80/56/207958056.db2.gz UNRLFNFYHQNPSG-JTQLQIEISA-N 2 0 266.349 -0.458 20 0 CBADRP CCC[NH2+]CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424139002 207962581 /nfs/dbraw/zinc/96/25/81/207962581.db2.gz CYGBYYSHVWYTRK-NSHDSACASA-N 2 0 280.376 -0.068 20 0 CBADRP [NH3+][C@@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)C1CC1 ZINC000424151634 207964152 /nfs/dbraw/zinc/96/41/52/207964152.db2.gz IEXBGTOTFQHRIS-MNOVXSKESA-N 2 0 278.360 -0.330 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425389369 208019638 /nfs/dbraw/zinc/01/96/38/208019638.db2.gz POXKYVRCZHWSMI-QWHCGFSZSA-N 2 0 296.415 -0.441 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000427270792 208057552 /nfs/dbraw/zinc/05/75/52/208057552.db2.gz XZCJLJPGXDTFKU-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000427577186 208064232 /nfs/dbraw/zinc/06/42/32/208064232.db2.gz JRGLQXXUQCVNJG-UTUOFQBUSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000427779101 208069912 /nfs/dbraw/zinc/06/99/12/208069912.db2.gz HCTMIJPAJMVNIC-MELADBBJSA-N 2 0 281.400 -0.025 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000428190282 208081574 /nfs/dbraw/zinc/08/15/74/208081574.db2.gz DYTYKKFBRGKCTJ-NSHDSACASA-N 2 0 268.361 -0.981 20 0 CBADRP CC[NH+]1CCN(CC(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000428302587 208083185 /nfs/dbraw/zinc/08/31/85/208083185.db2.gz DWJMJQQOAZMGKW-UHFFFAOYSA-N 2 0 268.405 -0.166 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000428981220 208106258 /nfs/dbraw/zinc/10/62/58/208106258.db2.gz QCTOGZPLDXBOJO-GFCCVEGCSA-N 2 0 284.404 -0.358 20 0 CBADRP CC[NH+]1CCN(CC(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000429108477 208109890 /nfs/dbraw/zinc/10/98/90/208109890.db2.gz GXBMPVBVCIHYAN-CYBMUJFWSA-N 2 0 268.405 -0.260 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000429166880 208113344 /nfs/dbraw/zinc/11/33/44/208113344.db2.gz KDJQGWSZMMAMRY-NEPJUHHUSA-N 2 0 284.404 -0.504 20 0 CBADRP O=C(COC1C[NH2+]C1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000430715993 208174765 /nfs/dbraw/zinc/17/47/65/208174765.db2.gz RNXVFIZMIXFRRM-JTQLQIEISA-N 2 0 253.346 -0.425 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747877 285074200 /nfs/dbraw/zinc/07/42/00/285074200.db2.gz MPSGQGLDFYKSLV-UHFFFAOYSA-N 2 0 255.362 -0.081 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCCN2CCOCC2)C1 ZINC000430635985 208168745 /nfs/dbraw/zinc/16/87/45/208168745.db2.gz IASAESKMOWRCGK-AWEZNQCLSA-N 2 0 298.431 -0.504 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@H]([NH3+])C2)C1 ZINC000430635685 208168867 /nfs/dbraw/zinc/16/88/67/208168867.db2.gz VYTBTDYGIHVMCH-UONOGXRCSA-N 2 0 298.431 -0.508 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000430686871 208171274 /nfs/dbraw/zinc/17/12/74/208171274.db2.gz OBOHHSVJCPNWGT-LBPRGKRZSA-N 2 0 275.418 -0.224 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000430711409 208174031 /nfs/dbraw/zinc/17/40/31/208174031.db2.gz FHKJAJJXPPNPBL-YPMHNXCESA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@H]1C[NH+](CCCNC(=O)COC2C[NH2+]C2)C[C@H](C)O1 ZINC000430745094 208179284 /nfs/dbraw/zinc/17/92/84/208179284.db2.gz VTHGRYCUELPJAR-RYUDHWBXSA-N 2 0 285.388 -0.410 20 0 CBADRP O=C(C[NH2+]CC1CC1)NCCC[NH+]1CCC(O)CC1 ZINC000430754893 208179542 /nfs/dbraw/zinc/17/95/42/208179542.db2.gz OSKSCSQHOQBDSM-UHFFFAOYSA-N 2 0 269.389 -0.051 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000430765817 208179702 /nfs/dbraw/zinc/17/97/02/208179702.db2.gz WAWXXQVRBOLBMV-GFCCVEGCSA-N 2 0 257.378 -0.067 20 0 CBADRP CC[C@H]1CN(C(=O)COC2C[NH2+]C2)CC[N@@H+]1C[C@@H](C)O ZINC000430743299 208179761 /nfs/dbraw/zinc/17/97/61/208179761.db2.gz QWQGZZQIALWVCM-NEPJUHHUSA-N 2 0 285.388 -0.722 20 0 CBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(C)(C)[NH3+])cn1 ZINC000430783629 208180688 /nfs/dbraw/zinc/18/06/88/208180688.db2.gz NFLYWCVFLZDSSI-UHFFFAOYSA-N 2 0 296.375 -0.763 20 0 CBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)COC2C[NH2+]C2)C1 ZINC000430776698 208181051 /nfs/dbraw/zinc/18/10/51/208181051.db2.gz QQJJHGIQXPFBEP-ZDUSSCGKSA-N 2 0 299.415 -0.066 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000430781501 208182989 /nfs/dbraw/zinc/18/29/89/208182989.db2.gz COZJAMSRGKALDL-LBPRGKRZSA-N 2 0 283.372 -0.845 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000430892065 208186855 /nfs/dbraw/zinc/18/68/55/208186855.db2.gz ZSWYHRZRMGJPMD-UTUOFQBUSA-N 2 0 282.388 -0.430 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1([NH3+])CCCC1 ZINC000430891632 208188178 /nfs/dbraw/zinc/18/81/78/208188178.db2.gz VWUDXTZWXKZJBX-NSHDSACASA-N 2 0 282.388 -0.286 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000430870404 208188352 /nfs/dbraw/zinc/18/83/52/208188352.db2.gz UKQUBHWNGSMHIM-CQSZACIVSA-N 2 0 296.415 -0.264 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)COC1C[NH2+]C1 ZINC000430896918 208189743 /nfs/dbraw/zinc/18/97/43/208189743.db2.gz JKMOSMFYPWGYKV-NSHDSACASA-N 2 0 271.361 -0.798 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000430903278 208190886 /nfs/dbraw/zinc/19/08/86/208190886.db2.gz HDDQHLYJSRVGSG-GHMZBOCLSA-N 2 0 268.361 -0.948 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000430897487 208190947 /nfs/dbraw/zinc/19/09/47/208190947.db2.gz NWNBYPABOPRGGB-NEPJUHHUSA-N 2 0 282.388 -0.701 20 0 CBADRP C[C@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)N1CC[NH+](C)CC1 ZINC000431003948 208195138 /nfs/dbraw/zinc/19/51/38/208195138.db2.gz DQVROBSCNDSKGS-ZIAGYGMSSA-N 2 0 298.431 -0.493 20 0 CBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C[NH3+])cn2)CC1 ZINC000431009755 208197608 /nfs/dbraw/zinc/19/76/08/208197608.db2.gz KPSIHUSQALKVDK-UHFFFAOYSA-N 2 0 277.372 -0.202 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000431027489 208197629 /nfs/dbraw/zinc/19/76/29/208197629.db2.gz WPZMFUDFBVUKOZ-RAIGVLPGSA-N 2 0 267.373 -0.036 20 0 CBADRP COCC[NH2+]CC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000431021655 208198345 /nfs/dbraw/zinc/19/83/45/208198345.db2.gz AGNXDWPZYJVVID-CMPLNLGQSA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000431020767 208198780 /nfs/dbraw/zinc/19/87/80/208198780.db2.gz DKRVDQZKYHEQAL-KGLIPLIRSA-N 2 0 298.431 -0.493 20 0 CBADRP CCN1CC[NH+](CCCCNC(=O)COC2C[NH2+]C2)CC1 ZINC000431012554 208198924 /nfs/dbraw/zinc/19/89/24/208198924.db2.gz GCVYNWSNORVHGL-UHFFFAOYSA-N 2 0 298.431 -0.491 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)COC2C[NH2+]C2)CC1 ZINC000431020836 208199099 /nfs/dbraw/zinc/19/90/99/208199099.db2.gz FEHYWOCBCUCOFA-LBPRGKRZSA-N 2 0 284.404 -0.883 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000431011793 208199279 /nfs/dbraw/zinc/19/92/79/208199279.db2.gz VKUVYJZOPFROME-AWEZNQCLSA-N 2 0 298.431 -0.491 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)COC1C[NH2+]C1 ZINC000431011244 208199591 /nfs/dbraw/zinc/19/95/91/208199591.db2.gz CKFPKTUMKPRUNA-NSHDSACASA-N 2 0 273.377 -0.552 20 0 CBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C[NH2+]C)CC1 ZINC000431019372 208199894 /nfs/dbraw/zinc/19/98/94/208199894.db2.gz OKUMDYVGQJPJAB-GFCCVEGCSA-N 2 0 256.394 -0.404 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000431015665 208200131 /nfs/dbraw/zinc/20/01/31/208200131.db2.gz PZGVCBMTRJMWBJ-STQMWFEESA-N 2 0 268.405 -0.404 20 0 CBADRP C[C@H]1C[N@@H+](C2CCN(C(=O)[C@H]3C[NH2+]CCO3)CC2)CCO1 ZINC000431032342 208201068 /nfs/dbraw/zinc/20/10/68/208201068.db2.gz BLOBDRJHJIVLTN-GXTWGEPZSA-N 2 0 297.399 -0.314 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000431031214 208201621 /nfs/dbraw/zinc/20/16/21/208201621.db2.gz WLARMARWBTWFSK-CHWSQXEVSA-N 2 0 284.404 -0.883 20 0 CBADRP CC[N@H+](C)CCNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433383914 208245799 /nfs/dbraw/zinc/24/57/99/208245799.db2.gz BUULACYSKOFLBE-NSHDSACASA-N 2 0 280.376 -0.116 20 0 CBADRP CC(C)[C@H](C[NH3+])C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000433174758 208242408 /nfs/dbraw/zinc/24/24/08/208242408.db2.gz KHGDNFYPLPJZHS-STQMWFEESA-N 2 0 298.431 -0.079 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433375255 208244345 /nfs/dbraw/zinc/24/43/45/208244345.db2.gz HCZPYJGXSJVWDX-NWDGAFQWSA-N 2 0 292.387 -0.116 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000432538063 208227162 /nfs/dbraw/zinc/22/71/62/208227162.db2.gz YIDQHYDOVLZPAK-QWHCGFSZSA-N 2 0 268.405 -0.262 20 0 CBADRP CN1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433117449 208236897 /nfs/dbraw/zinc/23/68/97/208236897.db2.gz NMGKENZNEDOCEI-UHFFFAOYSA-N 2 0 268.405 -0.036 20 0 CBADRP COC(=O)[C@@H](C)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433143233 208239510 /nfs/dbraw/zinc/23/95/10/208239510.db2.gz YBFNKMDRJSOLKY-SNVBAGLBSA-N 2 0 271.361 -0.133 20 0 CBADRP CC[NH+]1CCN(CC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000435239120 208275954 /nfs/dbraw/zinc/27/59/54/208275954.db2.gz IUQHTAHBTYULET-CQSZACIVSA-N 2 0 280.416 -0.023 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000447442401 208460639 /nfs/dbraw/zinc/46/06/39/208460639.db2.gz 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285275488 /nfs/dbraw/zinc/27/54/88/285275488.db2.gz LOZSEEKYLXUYOF-LBPRGKRZSA-N 2 0 284.404 -0.264 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000575043255 335058278 /nfs/dbraw/zinc/05/82/78/335058278.db2.gz QRMURRMNZRNCAD-MXWKQRLJSA-N 2 0 287.360 -0.898 20 0 CBADRP CC[N@H+](C)CCNC(=O)NCC[NH+](C)CCOC ZINC000171202646 335059153 /nfs/dbraw/zinc/05/91/53/335059153.db2.gz XJWKIGFSJBASSZ-UHFFFAOYSA-N 2 0 260.382 -0.185 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000375717514 285594671 /nfs/dbraw/zinc/59/46/71/285594671.db2.gz GPIRXRMXLULKLC-NWDGAFQWSA-N 2 0 287.429 0.000 20 0 CBADRP COC(C)(C)CS(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420451902 292059010 /nfs/dbraw/zinc/05/90/10/292059010.db2.gz IJJLRWBOEIFLKP-UHFFFAOYSA-N 2 0 281.422 -0.259 20 0 CBADRP O=C([C@@H]1CCCC[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000375956883 304318461 /nfs/dbraw/zinc/31/84/61/304318461.db2.gz FPCGZUKAZXAUSP-OLZOCXBDSA-N 2 0 266.389 -0.365 20 0 CBADRP COC1(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC[NH2+]CC1 ZINC000157961651 292095647 /nfs/dbraw/zinc/09/56/47/292095647.db2.gz NWXIZARESCVYTR-GHMZBOCLSA-N 2 0 255.362 -0.001 20 0 CBADRP O=C([C@@H]1CCC[NH2+]C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377567462 304332688 /nfs/dbraw/zinc/33/26/88/304332688.db2.gz ZLUFDDSPBNIVJU-OLZOCXBDSA-N 2 0 266.389 -0.508 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333857172 296583685 /nfs/dbraw/zinc/58/36/85/296583685.db2.gz REXIDGNRKVCCBP-WISYIIOYSA-N 2 0 252.362 -0.155 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000357314124 296586220 /nfs/dbraw/zinc/58/62/20/296586220.db2.gz LOZVYXDCCRATQE-GBIKHYSHSA-N 2 0 255.362 -0.132 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000364766548 285995483 /nfs/dbraw/zinc/99/54/83/285995483.db2.gz BGXLCMBHWMQKTK-RWMBFGLXSA-N 2 0 285.388 -0.592 20 0 CBADRP CO[C@H](CS(=O)(=O)N(CCC[NH3+])CCC[NH3+])C1CC1 ZINC000516062888 286015354 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269.389 -0.101 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@H](C[NH3+])OC)CC[N@@H+]1C[C@H](C)O ZINC000353434689 287165085 /nfs/dbraw/zinc/16/50/85/287165085.db2.gz VQCPHLIZEHEHNH-TUAOUCFPSA-N 2 0 273.377 -0.736 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000036190702 411623808 /nfs/dbraw/zinc/62/38/08/411623808.db2.gz QRAGYAAELSRBEX-UHFFFAOYSA-N 2 0 254.378 -0.556 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)CN1CC[NH2+]CC1 ZINC000037631296 411624288 /nfs/dbraw/zinc/62/42/88/411624288.db2.gz UQNSPAMKNYPKEC-CYBMUJFWSA-N 2 0 268.405 -0.118 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000418507585 292561499 /nfs/dbraw/zinc/56/14/99/292561499.db2.gz LCHKAVLAHWADBE-MNOVXSKESA-N 2 0 258.366 -0.386 20 0 CBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662751281 413991060 /nfs/dbraw/zinc/99/10/60/413991060.db2.gz YPIOJKUIEJNFSI-NXEZZACHSA-N 2 0 279.344 -0.355 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000662749228 413991511 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CC[NH+]1CCC(NC(=O)CN2CC[NH2+]CC2)CC1 ZINC000038098280 174113462 /nfs/dbraw/zinc/11/34/62/174113462.db2.gz ZIIHMXBAZZZAOA-UHFFFAOYSA-N 2 0 254.378 -0.508 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000038978078 174160291 /nfs/dbraw/zinc/16/02/91/174160291.db2.gz UYHFFDZWQVUNTA-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP [NH3+]CC1CC[NH+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000044513597 175188718 /nfs/dbraw/zinc/18/87/18/175188718.db2.gz SHNPOLBZZHTJQG-UHFFFAOYSA-N 2 0 254.334 -0.355 20 0 CBADRP CCCNC(=O)NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000044513259 175188998 /nfs/dbraw/zinc/18/89/98/175188998.db2.gz JSCMJDAJTWMROW-UHFFFAOYSA-N 2 0 256.350 -0.107 20 0 CBADRP C[NH+](C)CCCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000071215307 176086896 /nfs/dbraw/zinc/08/68/96/176086896.db2.gz OFSXQAHKVHWKNR-UHFFFAOYSA-N 2 0 280.376 -0.116 20 0 CBADRP C[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)[C@@H]1C[NH3+] ZINC000419097555 287325484 /nfs/dbraw/zinc/32/54/84/287325484.db2.gz GANOCSQGQDGDAH-DGCLKSJQSA-N 2 0 296.415 -0.217 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000082258033 544429248 /nfs/dbraw/zinc/42/92/48/544429248.db2.gz AMDVHNPYMNYZCY-CYBMUJFWSA-N 2 0 268.405 -0.118 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000089698321 544436405 /nfs/dbraw/zinc/43/64/05/544436405.db2.gz YZLVQTYWWXGCDS-SNVBAGLBSA-N 2 0 266.349 -0.549 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)COC2(C)C[NH2+]C2)C1 ZINC000098061744 544446890 /nfs/dbraw/zinc/44/68/90/544446890.db2.gz KSVMZKQVPBSNMZ-LLVKDONJSA-N 2 0 255.362 -0.083 20 0 CBADRP CN(C(=O)COC1(C)C[NH2+]C1)C1CC[NH+](C)CC1 ZINC000098061809 544447073 /nfs/dbraw/zinc/44/70/73/544447073.db2.gz BFKNMKSRCNTBPX-UHFFFAOYSA-N 2 0 255.362 -0.083 20 0 CBADRP CC1(OCC(=O)NCC[NH+]2CCCCC2)C[NH2+]C1 ZINC000098061583 544447177 /nfs/dbraw/zinc/44/71/77/544447177.db2.gz BCRRUHYBXROBPJ-UHFFFAOYSA-N 2 0 255.362 -0.033 20 0 CBADRP C[NH+](C)C1(CNC(=O)CN2CC[NH2+]CC2)CCCC1 ZINC000132452321 544460211 /nfs/dbraw/zinc/46/02/11/544460211.db2.gz UPJXXCLWYLSKGA-UHFFFAOYSA-N 2 0 268.405 -0.118 20 0 CBADRP C[C@H]([NH2+]CCN1C(=O)CNC1=O)C1CC[NH+](C)CC1 ZINC000134127883 544461842 /nfs/dbraw/zinc/46/18/42/544461842.db2.gz GRVSFRPEOGFIFV-JTQLQIEISA-N 2 0 268.361 -0.142 20 0 CBADRP C[C@@H]([NH2+]CCN1C(=O)CNC1=O)C1CC[NH+](C)CC1 ZINC000134128079 544461986 /nfs/dbraw/zinc/46/19/86/544461986.db2.gz GRVSFRPEOGFIFV-SNVBAGLBSA-N 2 0 268.361 -0.142 20 0 CBADRP Cn1nccc1CC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000230774557 544501320 /nfs/dbraw/zinc/50/13/20/544501320.db2.gz SWTICSXYLKHFSX-GFCCVEGCSA-N 2 0 279.388 -0.251 20 0 CBADRP C[C@H]([NH3+])CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000194951382 544487896 /nfs/dbraw/zinc/48/78/96/544487896.db2.gz KKIOJCRHKLOFJI-NSHDSACASA-N 2 0 277.372 -0.090 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCOC2(C[NH2+]C2)C1 ZINC000333949259 544547053 /nfs/dbraw/zinc/54/70/53/544547053.db2.gz XCKFCNJJALXWCX-CHWSQXEVSA-N 2 0 294.399 -0.003 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)[NH3+])CC1=O ZINC000249082706 544512512 /nfs/dbraw/zinc/51/25/12/544512512.db2.gz HRVOQRLKMSYCHA-RWMBFGLXSA-N 2 0 296.415 -0.217 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N(C)CC1C[NH+](C)C1 ZINC000660585907 419414064 /nfs/dbraw/zinc/41/40/64/419414064.db2.gz TWILJGNFNKWBPG-UHFFFAOYSA-N 2 0 272.393 -0.232 20 0 CBADRP CC(C)C[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)N1CCOCC1 ZINC000040824634 419418172 /nfs/dbraw/zinc/41/81/72/419418172.db2.gz SCFKIQMZXYXLCE-MELADBBJSA-N 2 0 299.415 -0.428 20 0 CBADRP Cn1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1=O ZINC000103212751 419478897 /nfs/dbraw/zinc/47/88/97/419478897.db2.gz QNIQXARIDSTZCC-UHFFFAOYSA-N 2 0 294.399 -0.049 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc[nH]n1 ZINC000103212709 419480556 /nfs/dbraw/zinc/48/05/56/419480556.db2.gz WMTVGDBLMXSICP-UHFFFAOYSA-N 2 0 253.350 -0.025 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N(C)CC2C[NH+](C)C2)C1 ZINC000660704511 419427924 /nfs/dbraw/zinc/42/79/24/419427924.db2.gz OXMNIICQMGGDKX-ZDUSSCGKSA-N 2 0 284.404 -0.090 20 0 CBADRP CC[NH+]1CCC(CNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000044526709 419430663 /nfs/dbraw/zinc/43/06/63/419430663.db2.gz XEGSBDZMMJVCNT-LBPRGKRZSA-N 2 0 255.362 -0.177 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000043800475 419430773 /nfs/dbraw/zinc/43/07/73/419430773.db2.gz RZOOXJAWUVGCSX-RYUDHWBXSA-N 2 0 255.362 -0.179 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973521 419459194 /nfs/dbraw/zinc/45/91/94/419459194.db2.gz VIPJYKOJHJERSD-CQSZACIVSA-N 2 0 280.416 -0.022 20 0 CBADRP CCN(C)C[C@@H](O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661138438 419469456 /nfs/dbraw/zinc/46/94/56/419469456.db2.gz BIQQGEGCAPZZAH-QWHCGFSZSA-N 2 0 267.377 -0.087 20 0 CBADRP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661143611 419470411 /nfs/dbraw/zinc/47/04/11/419470411.db2.gz UZNUSLSSFHQODT-KBPBESRZSA-N 2 0 297.403 -0.461 20 0 CBADRP OCC[N@H+](CCN1CCOCC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662261407 419567675 /nfs/dbraw/zinc/56/76/75/419567675.db2.gz XKNLQQRHBKFCHQ-AWEZNQCLSA-N 2 0 299.415 -0.866 20 0 CBADRP C([C@@H]1C[NH2+]CCO1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000662259427 419568097 /nfs/dbraw/zinc/56/80/97/419568097.db2.gz XOYYRUJCICHDNL-KBPBESRZSA-N 2 0 269.389 -0.229 20 0 CBADRP CC[N@@H+]1CCN(C[C@H](O)C[NH+](C)CCOC)C[C@@H]1C ZINC000388954271 544576759 /nfs/dbraw/zinc/57/67/59/544576759.db2.gz ZRUZEEYWCJRVIV-UONOGXRCSA-N 2 0 273.421 -0.049 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000662152393 419552020 /nfs/dbraw/zinc/55/20/20/419552020.db2.gz UAMRMOADIQIKJB-CABCVRRESA-N 2 0 285.432 -0.170 20 0 CBADRP COC[C@@H](C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)OC ZINC000662243682 419559198 /nfs/dbraw/zinc/55/91/98/419559198.db2.gz OJDJNDDMZFCDFT-VXGBXAGGSA-N 2 0 273.377 -0.565 20 0 CBADRP CN1CCC[C@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000662245208 419559609 /nfs/dbraw/zinc/55/96/09/419559609.db2.gz RZZIMJLYIOXLTG-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252148 419560962 /nfs/dbraw/zinc/56/09/62/419560962.db2.gz KPZGHSLTICUOFZ-MNOVXSKESA-N 2 0 253.346 -0.282 20 0 CBADRP O=C1NCCN1[C@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253718 419561851 /nfs/dbraw/zinc/56/18/51/419561851.db2.gz JZTTVTJLKAPNFK-STQMWFEESA-N 2 0 294.399 -0.003 20 0 CBADRP CCN1CC[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000662247733 419562090 /nfs/dbraw/zinc/56/20/90/419562090.db2.gz ZNPMNZWUQCKQBU-GFCCVEGCSA-N 2 0 254.378 -0.556 20 0 CBADRP CN1CCC[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000662247224 419562401 /nfs/dbraw/zinc/56/24/01/419562401.db2.gz VUFNIQURXYBABA-GFCCVEGCSA-N 2 0 254.378 -0.556 20 0 CBADRP CC(C)C[N@@H+](CC(N)=O)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252304 419563376 /nfs/dbraw/zinc/56/33/76/419563376.db2.gz OYNYCXIUDRMLPC-LLVKDONJSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[N@@H+]1CCN(C[C@@H](O)C[NH+](C)CCOC)C[C@@H]1C ZINC000388954263 544577767 /nfs/dbraw/zinc/57/77/67/544577767.db2.gz ZRUZEEYWCJRVIV-KBPBESRZSA-N 2 0 273.421 -0.049 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662247727 419564182 /nfs/dbraw/zinc/56/41/82/419564182.db2.gz ZHWUIGYHLUBYSM-CYBMUJFWSA-N 3 0 268.405 -0.656 20 0 CBADRP CCNC(=O)C[N@H+](CC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251533 419564323 /nfs/dbraw/zinc/56/43/23/419564323.db2.gz GNISQCBIFGNSHI-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000644113991 419565539 /nfs/dbraw/zinc/56/55/39/419565539.db2.gz YTYNNBUQTCCDAE-MWLCHTKSSA-N 2 0 263.345 0.354 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1C ZINC000662261311 419565792 /nfs/dbraw/zinc/56/57/92/419565792.db2.gz HLDWFOACYGJWJI-MELADBBJSA-N 2 0 283.416 -0.106 20 0 CBADRP Cn1ccnc1[C@@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]CCO1 ZINC000662273281 419565873 /nfs/dbraw/zinc/56/58/73/419565873.db2.gz NHSJWIPJVZJCRO-RYUDHWBXSA-N 2 0 265.361 -0.645 20 0 CBADRP COC[C@@](C)(CCO)[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662259191 419565969 /nfs/dbraw/zinc/56/59/69/419565969.db2.gz RNJCSCNMDSJBIC-VXGBXAGGSA-N 2 0 258.362 -0.116 20 0 CBADRP CC[C@@H]1CN(C[C@H]2C[NH2+]CCO2)CC[N@@H+]1C[C@H](C)O ZINC000662262177 419566365 /nfs/dbraw/zinc/56/63/65/419566365.db2.gz SDDQMDWTOCGLDW-BFHYXJOUSA-N 2 0 271.405 -0.248 20 0 CBADRP Cn1ccnc1[C@H]1C[NH2+]CCN1C[C@H]1C[NH2+]CCO1 ZINC000662273283 419567065 /nfs/dbraw/zinc/56/70/65/419567065.db2.gz NHSJWIPJVZJCRO-VXGBXAGGSA-N 2 0 265.361 -0.645 20 0 CBADRP C[NH2+]CCCC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394378746 544578333 /nfs/dbraw/zinc/57/83/33/544578333.db2.gz BFRHDVXGCBRCTC-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP C[C@H]1C[C@H](NC(=O)c2cn(CC[NH3+])nn2)C[N@@H+]1C1CC1 ZINC000662539652 419634816 /nfs/dbraw/zinc/63/48/16/419634816.db2.gz GWAOCUOFAWPTBB-UWVGGRQHSA-N 2 0 278.360 -0.408 20 0 CBADRP CC(C)([NH3+])CCC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000647727237 419638414 /nfs/dbraw/zinc/63/84/14/419638414.db2.gz USKFDPCLKQJYTN-NSHDSACASA-N 2 0 284.404 -0.183 20 0 CBADRP CCCC[C@@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000236740588 419570800 /nfs/dbraw/zinc/57/08/00/419570800.db2.gz HFQRWGIXUOPLTQ-GFCCVEGCSA-N 2 0 256.394 -0.085 20 0 CBADRP COC[C@@H](C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)OC ZINC000662275975 419572194 /nfs/dbraw/zinc/57/21/94/419572194.db2.gz GJIAXWUDOHUWEB-CHWSQXEVSA-N 2 0 257.378 -0.373 20 0 CBADRP CO[C@H](CN(CC[NH3+])C[C@@H](O)CO)C1CCCC1 ZINC000662285579 419572348 /nfs/dbraw/zinc/57/23/48/419572348.db2.gz DWNGHWCRTFAQBZ-CHWSQXEVSA-N 2 0 260.378 -0.195 20 0 CBADRP COC[C@@H](C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)OC ZINC000662275977 419572610 /nfs/dbraw/zinc/57/26/10/419572610.db2.gz GJIAXWUDOHUWEB-QWHCGFSZSA-N 2 0 257.378 -0.373 20 0 CBADRP CCO[C@@H]1CN([C@H]2CCCN(C)C2=O)C[C@H]1C[NH3+] ZINC000662285853 419574643 /nfs/dbraw/zinc/57/46/43/419574643.db2.gz NTMOASAAZXZLTE-GRYCIOLGSA-N 2 0 255.362 -0.097 20 0 CBADRP O=C(CC1CC[NH2+]CC1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394385176 544580741 /nfs/dbraw/zinc/58/07/41/544580741.db2.gz LAZKWLOWBIQKMG-AWEZNQCLSA-N 2 0 280.416 -0.118 20 0 CBADRP O=c1n(CCNC2(CO)CC[NH2+]CC2)nc2ccccn21 ZINC000662285640 419575585 /nfs/dbraw/zinc/57/55/85/419575585.db2.gz JHGVJESILZAVAW-UHFFFAOYSA-N 2 0 291.355 -0.800 20 0 CBADRP C[C@@H](NC(=O)COC1(C)C[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000647723925 419639268 /nfs/dbraw/zinc/63/92/68/419639268.db2.gz AUWSDAQNLVMPFW-GHMZBOCLSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@@]1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CC[NH2+]C1 ZINC000394381547 544581385 /nfs/dbraw/zinc/58/13/85/544581385.db2.gz MIKGWSHVDRVACV-GXTWGEPZSA-N 2 0 266.389 -0.508 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)C1CC[NH2+]CC1 ZINC000394386604 544581429 /nfs/dbraw/zinc/58/14/29/544581429.db2.gz QISUDFYFGPUIPG-CYBMUJFWSA-N 2 0 266.389 -0.508 20 0 CBADRP O=C(CC[N@@H+]1CC[C@H](Cn2ccnn2)C1)N1CC[NH2+]CC1 ZINC000662295461 419580728 /nfs/dbraw/zinc/58/07/28/419580728.db2.gz KFUUUSHMFQKEKO-ZDUSSCGKSA-N 2 0 292.387 -0.578 20 0 CBADRP COc1ccc([C@H](C[NH3+])CN(CC[NH3+])C[C@H](O)CO)cc1 ZINC000662289173 419581219 /nfs/dbraw/zinc/58/12/19/419581219.db2.gz WYMMFMUHEDMJEG-KGLIPLIRSA-N 2 0 297.399 -0.649 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394384395 544581737 /nfs/dbraw/zinc/58/17/37/544581737.db2.gz JCWJRBQURFFMLA-CHWSQXEVSA-N 2 0 266.389 -0.365 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000394382403 544581834 /nfs/dbraw/zinc/58/18/34/544581834.db2.gz VZLAVGKDXDJTEN-HZSPNIEDSA-N 2 0 280.416 -0.119 20 0 CBADRP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C[C@H]1COCCO1 ZINC000662307483 419586828 /nfs/dbraw/zinc/58/68/28/419586828.db2.gz WHEJRIXLYJEADP-NEPJUHHUSA-N 2 0 256.346 -0.145 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662340753 419589136 /nfs/dbraw/zinc/58/91/36/419589136.db2.gz HOCNMTQQXWEQNR-XQQFMLRXSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662340752 419589273 /nfs/dbraw/zinc/58/92/73/419589273.db2.gz HOCNMTQQXWEQNR-RWMBFGLXSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](NC(=O)c1cn(CC[NH3+])nn1)C1CC[NH+](C)CC1 ZINC000396442914 544582545 /nfs/dbraw/zinc/58/25/45/544582545.db2.gz ADOSYGZJJWVSQK-SNVBAGLBSA-N 2 0 280.376 -0.303 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662388306 419591235 /nfs/dbraw/zinc/59/12/35/419591235.db2.gz PJQWJKYHNSDRMU-LLVKDONJSA-N 2 0 280.376 -0.302 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CCO[C@@H]1C[NH3+])[C@H]1CCC[NH2+]C1 ZINC000662403601 419595893 /nfs/dbraw/zinc/59/58/93/419595893.db2.gz NGQIJVHJNOLWLZ-NNYUYHANSA-N 2 0 255.362 -0.146 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000662400827 419597351 /nfs/dbraw/zinc/59/73/51/419597351.db2.gz FLLKKEGEAQFACA-JHJVBQTASA-N 2 0 294.399 -0.606 20 0 CBADRP O=C1CCCN1C[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000647517592 419599608 /nfs/dbraw/zinc/59/96/08/419599608.db2.gz ZDDZHXTVRGEKEB-QWHCGFSZSA-N 2 0 285.388 -0.984 20 0 CBADRP [NH3+]CCn1cc(C(=O)NC2(C[NH3+])CCCC2)nn1 ZINC000662416471 419600164 /nfs/dbraw/zinc/60/01/64/419600164.db2.gz DHWMCTGVWCFHRF-UHFFFAOYSA-N 2 0 252.322 -0.762 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662425574 419602589 /nfs/dbraw/zinc/60/25/89/419602589.db2.gz JXCCFEMKLLRGGF-RHYQMDGZSA-N 2 0 253.346 -0.297 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)c1cn(CC[NH3+])nn1 ZINC000662430100 419603757 /nfs/dbraw/zinc/60/37/57/419603757.db2.gz UNVMYRPAJVIQJL-SECBINFHSA-N 2 0 254.338 -0.516 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000662441605 419604812 /nfs/dbraw/zinc/60/48/12/419604812.db2.gz KSOCAJDYIHYYPF-NSHDSACASA-N 2 0 296.375 -0.923 20 0 CBADRP NC(=O)Cn1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nn1 ZINC000647545715 419607007 /nfs/dbraw/zinc/60/70/07/419607007.db2.gz JLSKFTZUHMYSKO-RYUDHWBXSA-N 2 0 292.387 -0.415 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCC[C@H]2[NH3+])C1 ZINC000662438580 419607314 /nfs/dbraw/zinc/60/73/14/419607314.db2.gz XULYSNWNEMFWLG-RWMBFGLXSA-N 2 0 296.415 -0.183 20 0 CBADRP NC(=O)Cn1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nn1 ZINC000647545716 419607563 /nfs/dbraw/zinc/60/75/63/419607563.db2.gz JLSKFTZUHMYSKO-VXGBXAGGSA-N 2 0 292.387 -0.415 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000662437960 419607890 /nfs/dbraw/zinc/60/78/90/419607890.db2.gz KSSBVXFDNPJFAC-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH+](C)C[C@H](CO)NC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647535938 419608344 /nfs/dbraw/zinc/60/83/44/419608344.db2.gz KBSZLXLWQGDRTC-CVEARBPZSA-N 2 0 295.427 -0.009 20 0 CBADRP CCCN(C(=O)C(=O)N(C)CC[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000647568564 419610227 /nfs/dbraw/zinc/61/02/27/419610227.db2.gz OKYKOMUBQUHPKO-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000662449907 419611153 /nfs/dbraw/zinc/61/11/53/419611153.db2.gz YLNXFOLHXCEMJM-STQMWFEESA-N 2 0 286.420 -0.509 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000662462107 419613390 /nfs/dbraw/zinc/61/33/90/419613390.db2.gz GVXPULUFUSIWQT-KGLIPLIRSA-N 2 0 298.431 -0.493 20 0 CBADRP C[C@@H](CC(N)=O)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000304711072 419616145 /nfs/dbraw/zinc/61/61/45/419616145.db2.gz LXEZJGACNQMLDW-RYUDHWBXSA-N 2 0 257.378 -0.067 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC[NH2+]C1 ZINC000310865515 419619029 /nfs/dbraw/zinc/61/90/29/419619029.db2.gz RKWBPIXIEBYFJT-DGCLKSJQSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])[N@H+](C)C1CC1 ZINC000647594964 419619980 /nfs/dbraw/zinc/61/99/80/419619980.db2.gz BFNXUASTMRCRFD-GARJFASQSA-N 2 0 284.404 -0.173 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000647595161 419620398 /nfs/dbraw/zinc/62/03/98/419620398.db2.gz QXFWTSHKBWNOKP-GMXVVIOVSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000662497456 419620828 /nfs/dbraw/zinc/62/08/28/419620828.db2.gz JNOQLNWOBVLWOE-KOLCDFICSA-N 2 0 278.360 -0.551 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000647597728 419620964 /nfs/dbraw/zinc/62/09/64/419620964.db2.gz KBNWLWRHXLNOFD-GARJFASQSA-N 2 0 270.377 -0.561 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)c2cn(CC[NH3+])nn2)CCSC1 ZINC000662488937 419621040 /nfs/dbraw/zinc/62/10/40/419621040.db2.gz BCEKGOVXYZCEQZ-LBPRGKRZSA-N 2 0 298.416 -0.596 20 0 CBADRP CC[N@@H+]1CCCN(C[C@@H](O)C[NH+](C)CCOC)CC1 ZINC000311543401 419621436 /nfs/dbraw/zinc/62/14/36/419621436.db2.gz HJWDDQYIWMVVAD-AWEZNQCLSA-N 2 0 273.421 -0.047 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662497683 419624382 /nfs/dbraw/zinc/62/43/82/419624382.db2.gz JCOYNKJNEJRVDK-GFCCVEGCSA-N 2 0 294.403 -0.056 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)O1 ZINC000662514016 419626891 /nfs/dbraw/zinc/62/68/91/419626891.db2.gz JHQHJSXLPKNEAP-FDYHWXHSSA-N 2 0 267.373 -0.084 20 0 CBADRP COC[C@]1(C(=O)NCCCN2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000315066810 419628450 /nfs/dbraw/zinc/62/84/50/419628450.db2.gz APQJALFJTYFBRG-HNNXBMFYSA-N 2 0 298.431 -0.634 20 0 CBADRP COC[C@@]1(C(=O)NCCCN2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000315066820 419628768 /nfs/dbraw/zinc/62/87/68/419628768.db2.gz APQJALFJTYFBRG-OAHLLOKOSA-N 2 0 298.431 -0.634 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)NCCN1CC[NH+](CC)CC1 ZINC000662525241 419629318 /nfs/dbraw/zinc/62/93/18/419629318.db2.gz FZZRWGKWZFBOLB-LBPRGKRZSA-N 2 0 256.394 -0.262 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662515741 419629473 /nfs/dbraw/zinc/62/94/73/419629473.db2.gz VWYVPYKYRMCOFX-WCQYABFASA-N 2 0 255.362 -0.049 20 0 CBADRP CC(C)[NH2+]CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000662516587 419631059 /nfs/dbraw/zinc/63/10/59/419631059.db2.gz DGYXCIXZUSIZRG-GFCCVEGCSA-N 2 0 254.378 -0.510 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000662516313 419631460 /nfs/dbraw/zinc/63/14/60/419631460.db2.gz DYJVBBQXSCSBAW-NEPJUHHUSA-N 2 0 254.378 -0.510 20 0 CBADRP C[NH+](C)CCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662516280 419631536 /nfs/dbraw/zinc/63/15/36/419631536.db2.gz DDYMVXYBEFBPIK-VIFPVBQESA-N 2 0 251.334 -0.222 20 0 CBADRP C[C@@H](CCNC(=O)c1cn(CC[NH3+])nn1)[NH+](C)C ZINC000662635074 419662677 /nfs/dbraw/zinc/66/26/77/419662677.db2.gz VAKLURBQXOBLIZ-VIFPVBQESA-N 2 0 254.338 -0.693 20 0 CBADRP O=C([C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000647824831 419663235 /nfs/dbraw/zinc/66/32/35/419663235.db2.gz YYHCZJUOFSVXLE-KGLIPLIRSA-N 3 0 280.416 -0.260 20 0 CBADRP CN(CCC[NH3+])C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000647830249 419664057 /nfs/dbraw/zinc/66/40/57/419664057.db2.gz CWTHZXVPPHKQPY-UHFFFAOYSA-N 2 0 265.361 -0.231 20 0 CBADRP C[C@@H](CN1CCOCC1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647836138 419665125 /nfs/dbraw/zinc/66/51/25/419665125.db2.gz AOHJEGTZMNQDAF-AWEZNQCLSA-N 2 0 270.421 -0.456 20 0 CBADRP C[C@H](CN1CCOCC1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000647828801 419665300 /nfs/dbraw/zinc/66/53/00/419665300.db2.gz ZEMCULXNSKNOJQ-ZIAGYGMSSA-N 2 0 298.431 -0.506 20 0 CBADRP [NH3+]C1(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CCCC1 ZINC000662648549 419665458 /nfs/dbraw/zinc/66/54/58/419665458.db2.gz IHLAPONKYRHEGS-NSHDSACASA-N 2 0 282.388 -0.368 20 0 CBADRP Cn1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1=O ZINC000647828565 419666314 /nfs/dbraw/zinc/66/63/14/419666314.db2.gz CTFTYOIYBVGXMR-ZDUSSCGKSA-N 2 0 292.383 -0.328 20 0 CBADRP Cn1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1=O ZINC000647828564 419666414 /nfs/dbraw/zinc/66/64/14/419666414.db2.gz CTFTYOIYBVGXMR-CYBMUJFWSA-N 2 0 292.383 -0.328 20 0 CBADRP [NH3+]C1(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCCC1 ZINC000662648240 419666375 /nfs/dbraw/zinc/66/63/75/419666375.db2.gz HSHUJTBYVUXYJW-SNVBAGLBSA-N 2 0 268.361 -0.758 20 0 CBADRP C[NH2+]C[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000647836723 419667086 /nfs/dbraw/zinc/66/70/86/419667086.db2.gz APQQYNNTDAJDHZ-LBPRGKRZSA-N 3 0 254.378 -0.650 20 0 CBADRP CC1(OCC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]C1 ZINC000647847017 419668523 /nfs/dbraw/zinc/66/85/23/419668523.db2.gz UBHXWMWUFUMKFI-MNOVXSKESA-N 2 0 253.346 -0.282 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CC1CC[NH2+]CC1 ZINC000662660063 419673919 /nfs/dbraw/zinc/67/39/19/419673919.db2.gz SOKBUQWWGMVUCB-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[NH2+]CC1CC1 ZINC000662660711 419674137 /nfs/dbraw/zinc/67/41/37/419674137.db2.gz YQABJBXHFMAEGZ-UHFFFAOYSA-N 2 0 284.404 -0.536 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000662659358 419674805 /nfs/dbraw/zinc/67/48/05/419674805.db2.gz KKMNZYHHMISLFE-IUODEOHRSA-N 2 0 296.415 -0.536 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662662101 419674873 /nfs/dbraw/zinc/67/48/73/419674873.db2.gz ZHTRIPDFOQEYJL-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000662659554 419674993 /nfs/dbraw/zinc/67/49/93/419674993.db2.gz NJCCYDUCURPCLH-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP CC1CC[NH+](CCCNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662671732 419679251 /nfs/dbraw/zinc/67/92/51/419679251.db2.gz PAVQXPKLSFQIER-UHFFFAOYSA-N 2 0 255.362 -0.441 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CCO1 ZINC000647876978 419679559 /nfs/dbraw/zinc/67/95/59/419679559.db2.gz FNRRZJPQSFVYRF-LPEHRKFASA-N 2 0 277.315 -0.194 20 0 CBADRP O=C(NC1CC[NH+](CC2CC2)CC1)C1(O)C[NH2+]C1 ZINC000662682688 419680112 /nfs/dbraw/zinc/68/01/12/419680112.db2.gz RYJZYVPJNXPZHQ-UHFFFAOYSA-N 2 0 253.346 -0.689 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNc1ncnc2c1OCCN2 ZINC000647874103 419680564 /nfs/dbraw/zinc/68/05/64/419680564.db2.gz SGPZRWSXLGRMKX-LBPRGKRZSA-N 2 0 267.333 0.005 20 0 CBADRP CN1CCN(C(=O)[C@H]2CCc3ncncc3C2)[C@@H](C[NH3+])C1 ZINC000647874197 419681528 /nfs/dbraw/zinc/68/15/28/419681528.db2.gz GUZYHLPWXAANBD-AAEUAGOBSA-N 2 0 289.383 -0.317 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000647877432 419684290 /nfs/dbraw/zinc/68/42/90/419684290.db2.gz QJTYYWWALVZJBD-DMDPSCGWSA-N 2 0 255.362 -0.049 20 0 CBADRP NC(=O)[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647883325 419684676 /nfs/dbraw/zinc/68/46/76/419684676.db2.gz FHTBJRMJOUOCTL-GFCCVEGCSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H](CNC(=O)C1(O)C[NH2+]C1)C[NH+]1CCCCC1 ZINC000662689817 419685126 /nfs/dbraw/zinc/68/51/26/419685126.db2.gz ITYSZYIMWRWQBZ-NSHDSACASA-N 2 0 255.362 -0.441 20 0 CBADRP O=C(N1CCC[C@H]([NH+]2CCCC2)C1)C1(O)C[NH2+]C1 ZINC000662693564 419686059 /nfs/dbraw/zinc/68/60/59/419686059.db2.gz TWAIZLVFOLMWST-NSHDSACASA-N 2 0 253.346 -0.593 20 0 CBADRP O=C(N1CCC[C@@H]([NH+]2CCCC2)C1)C1(O)C[NH2+]C1 ZINC000662693563 419686547 /nfs/dbraw/zinc/68/65/47/419686547.db2.gz TWAIZLVFOLMWST-LLVKDONJSA-N 2 0 253.346 -0.593 20 0 CBADRP O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)N1CCNC(=O)C1 ZINC000647901705 419686736 /nfs/dbraw/zinc/68/67/36/419686736.db2.gz UEHVEJGEHBRAEM-OLZOCXBDSA-N 2 0 294.399 -0.591 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000662699514 419688194 /nfs/dbraw/zinc/68/81/94/419688194.db2.gz BOPSGZGWUWUPPN-WOPDTQHZSA-N 2 0 255.362 -0.192 20 0 CBADRP C(CN1CCO[C@H]([C@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC000647891564 419688816 /nfs/dbraw/zinc/68/88/16/419688816.db2.gz RPXBWLKWNVKFCS-KGLIPLIRSA-N 2 0 269.389 -0.229 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000417283720 544590835 /nfs/dbraw/zinc/59/08/35/544590835.db2.gz DAWUMTLVWBFMLU-OLZOCXBDSA-N 2 0 285.436 -0.081 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662705812 419695471 /nfs/dbraw/zinc/69/54/71/419695471.db2.gz QUSLDYJRPYLVNA-SRVKXCTJSA-N 2 0 282.388 -0.573 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662702999 419695717 /nfs/dbraw/zinc/69/57/17/419695717.db2.gz GCLZKQZCAAEKSI-WDEREUQCSA-N 2 0 259.350 -0.955 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000662716876 419697973 /nfs/dbraw/zinc/69/79/73/419697973.db2.gz IOCPPBHUEYQMCS-ZDEQEGDKSA-N 2 0 267.373 -0.219 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC000662713837 419698078 /nfs/dbraw/zinc/69/80/78/419698078.db2.gz ZJPYZFQJOVCEKR-UTUOFQBUSA-N 2 0 255.362 -0.097 20 0 CBADRP O=C(CC[N@@H+]1CC[C@H](n2cncn2)C1)N1CC[NH2+]CC1 ZINC000647989609 419704390 /nfs/dbraw/zinc/70/43/90/419704390.db2.gz LTNUAYGATKNKCK-LBPRGKRZSA-N 2 0 278.360 -0.653 20 0 CBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C1(O)C[NH2+]C1 ZINC000662735086 419705077 /nfs/dbraw/zinc/70/50/77/419705077.db2.gz LFYZTLLKLHYCFM-LLVKDONJSA-N 2 0 255.362 -0.299 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000662730892 419705610 /nfs/dbraw/zinc/70/56/10/419705610.db2.gz UIHSPQYPNIADPG-VXGBXAGGSA-N 2 0 284.404 -0.266 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1O ZINC000647994563 419708310 /nfs/dbraw/zinc/70/83/10/419708310.db2.gz QEYODDOSRMKHIG-UBHSHLNASA-N 2 0 296.415 -0.213 20 0 CBADRP C[C@H](CNC(=O)CC1([NH3+])CC1)C[NH+]1CCN(C)CC1 ZINC000662755968 419709726 /nfs/dbraw/zinc/70/97/26/419709726.db2.gz FHNUXYILCGUYMG-GFCCVEGCSA-N 2 0 268.405 -0.133 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000662755122 419709994 /nfs/dbraw/zinc/70/99/94/419709994.db2.gz DBRJGTZKWRALLR-IJLUTSLNSA-N 2 0 254.378 -0.524 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662758214 419710817 /nfs/dbraw/zinc/71/08/17/419710817.db2.gz OJPMWOZJPBIIOZ-MCIONIFRSA-N 2 0 298.431 -0.508 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000662567605 419644257 /nfs/dbraw/zinc/64/42/57/419644257.db2.gz WDNRCIHXVODGQY-YUMQZZPRSA-N 2 0 253.293 -0.163 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662573653 419644945 /nfs/dbraw/zinc/64/49/45/419644945.db2.gz JFDLFUHHAQRIFF-NSHDSACASA-N 2 0 294.355 -0.140 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000662571706 419645284 /nfs/dbraw/zinc/64/52/84/419645284.db2.gz VLSMQZWVHSGGKC-STQMWFEESA-N 2 0 299.415 -0.047 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)c1cn(CC[NH3+])nn1 ZINC000662585397 419647045 /nfs/dbraw/zinc/64/70/45/419647045.db2.gz WUHMVQFUFCMXCG-UHFFFAOYSA-N 2 0 280.376 -0.205 20 0 CBADRP C[NH2+]Cc1ccccc1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000662582224 419647424 /nfs/dbraw/zinc/64/74/24/419647424.db2.gz BLEPFSLBCJSDFN-UHFFFAOYSA-N 2 0 288.355 -0.114 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662592040 419647944 /nfs/dbraw/zinc/64/79/44/419647944.db2.gz DJAPTSIVDOUBMI-GFCCVEGCSA-N 2 0 282.388 -0.701 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000662604075 419650731 /nfs/dbraw/zinc/65/07/31/419650731.db2.gz AOQHYGQLBAYKDU-SNVBAGLBSA-N 2 0 280.376 -0.161 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000647770020 419651212 /nfs/dbraw/zinc/65/12/12/419651212.db2.gz UGTOWYKFWFDCTB-GFCCVEGCSA-N 2 0 254.378 -0.650 20 0 CBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647769868 419651517 /nfs/dbraw/zinc/65/15/17/419651517.db2.gz NGIYGUFBKFECLG-NEPJUHHUSA-N 2 0 256.394 -0.277 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)CC1(C[NH3+])CC1 ZINC000647779052 419654818 /nfs/dbraw/zinc/65/48/18/419654818.db2.gz NNDOBDGZYHPVEG-UHFFFAOYSA-N 2 0 254.378 -0.521 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)c1c[nH+]ccc1N ZINC000647777726 419655842 /nfs/dbraw/zinc/65/58/42/419655842.db2.gz ZCHQALNFGBDPEV-UHFFFAOYSA-N 2 0 263.345 -0.529 20 0 CBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCN(C)CCC[NH+](C)C ZINC000662632679 419657201 /nfs/dbraw/zinc/65/72/01/419657201.db2.gz SQYVUVDOSVAVSK-OLZOCXBDSA-N 2 0 270.421 -0.016 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000662629933 419657274 /nfs/dbraw/zinc/65/72/74/419657274.db2.gz BJMQZRPTXJTJCL-HIFRSBDPSA-N 2 0 282.432 -0.014 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000647806997 419657696 /nfs/dbraw/zinc/65/76/96/419657696.db2.gz DTDUIFAECSQQRW-GHMZBOCLSA-N 2 0 280.376 -0.212 20 0 CBADRP CCN(CCC[NH+](CC)CC)C(=O)C1(O)C[NH2+]C1 ZINC000662793475 419725492 /nfs/dbraw/zinc/72/54/92/419725492.db2.gz HOQZOMDAVSFDAZ-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP CO[C@@H]1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C)[C@@H](C[NH3+])C1 ZINC000648108231 419730795 /nfs/dbraw/zinc/73/07/95/419730795.db2.gz NFAFCGSIYBHNFY-IRCOFANPSA-N 2 0 255.362 -0.051 20 0 CBADRP CO[C@@H]1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C)[C@H](C[NH3+])C1 ZINC000648108232 419732836 /nfs/dbraw/zinc/73/28/36/419732836.db2.gz NFAFCGSIYBHNFY-NNYUYHANSA-N 2 0 255.362 -0.051 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CCO1 ZINC000648110748 419734377 /nfs/dbraw/zinc/73/43/77/419734377.db2.gz MDQJCWRQBQAISD-DTWKUNHWSA-N 2 0 263.288 -0.583 20 0 CBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000662939875 419786300 /nfs/dbraw/zinc/78/63/00/419786300.db2.gz QFDXCSNUSVLRBK-CYBMUJFWSA-N 2 0 298.431 -0.016 20 0 CBADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662817763 419736167 /nfs/dbraw/zinc/73/61/67/419736167.db2.gz YVRMBQJVAKNYQX-NSHDSACASA-N 2 0 267.373 -0.443 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000648124010 419738774 /nfs/dbraw/zinc/73/87/74/419738774.db2.gz NVUYAOZOAWGLQH-IRCOFANPSA-N 2 0 253.346 -0.426 20 0 CBADRP COC1(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC[NH2+]CC1 ZINC000648123028 419740724 /nfs/dbraw/zinc/74/07/24/419740724.db2.gz HPKQLUFPOLJMPK-NEPJUHHUSA-N 2 0 267.373 -0.035 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662831493 419740956 /nfs/dbraw/zinc/74/09/56/419740956.db2.gz ATGOTFHYYFNGJC-AWEZNQCLSA-N 2 0 299.415 -0.064 20 0 CBADRP CC[C@H]1CN(C(=O)COC2(C)C[NH2+]C2)CC[C@@H]1[NH3+] ZINC000648126510 419742018 /nfs/dbraw/zinc/74/20/18/419742018.db2.gz LLZOKKMQPTTWOC-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1(O)C[NH2+]C1 ZINC000662835054 419743650 /nfs/dbraw/zinc/74/36/50/419743650.db2.gz KIEHYOFOYSQJOI-QWRGUYRKSA-N 2 0 253.346 -0.546 20 0 CBADRP O=C(NCc1cccnc1N1CCCC1)C1(O)C[NH2+]C1 ZINC000662851223 419748919 /nfs/dbraw/zinc/74/89/19/419748919.db2.gz YTFBDACRGNLWJA-UHFFFAOYSA-N 2 0 276.340 -0.368 20 0 CBADRP COC[C@]1(CNC(=O)COC2(C)C[NH2+]C2)CCC[NH2+]1 ZINC000648136518 419750260 /nfs/dbraw/zinc/75/02/60/419750260.db2.gz OXWPRFVCPSHWRO-CYBMUJFWSA-N 2 0 271.361 -0.750 20 0 CBADRP COC1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CC[NH2+]CC1 ZINC000648140979 419751350 /nfs/dbraw/zinc/75/13/50/419751350.db2.gz VBNHQIKKPHUZLK-UWVGGRQHSA-N 2 0 259.325 -0.429 20 0 CBADRP [NH3+][C@@H]1CCCCN(CC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1=O ZINC000648140918 419752383 /nfs/dbraw/zinc/75/23/83/419752383.db2.gz QNDRTKFMAXUVEP-GARJFASQSA-N 2 0 286.351 -0.858 20 0 CBADRP CC1(OCC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C[NH2+]C1 ZINC000648137981 419753090 /nfs/dbraw/zinc/75/30/90/419753090.db2.gz YJTCQYZZRJFBEN-CQSZACIVSA-N 2 0 267.373 -0.033 20 0 CBADRP CC1(OCC(=O)N[C@@H](CC[NH3+])C(F)F)C[NH2+]C1 ZINC000648146047 419753912 /nfs/dbraw/zinc/75/39/12/419753912.db2.gz SXYWETANMFWBHM-ZETCQYMHSA-N 2 0 251.277 -0.536 20 0 CBADRP CC1(OCC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)C[NH2+]C1 ZINC000648147526 419754638 /nfs/dbraw/zinc/75/46/38/419754638.db2.gz NGZRPFJGEPXALS-LBPRGKRZSA-N 2 0 297.399 -0.421 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000648148145 419756298 /nfs/dbraw/zinc/75/62/98/419756298.db2.gz LYBHBHDZTKITNR-PWSUYJOCSA-N 2 0 284.404 -0.410 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000662943916 419787015 /nfs/dbraw/zinc/78/70/15/419787015.db2.gz DSGVXVMYNKZUFR-STQMWFEESA-N 2 0 296.415 -0.264 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CC1([NH3+])CC1 ZINC000662875279 419759804 /nfs/dbraw/zinc/75/98/04/419759804.db2.gz VCXBNTOGIZIUHW-UHFFFAOYSA-N 2 0 270.377 -0.654 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C(F)(F)F ZINC000648148626 419760844 /nfs/dbraw/zinc/76/08/44/419760844.db2.gz SULVGQFUUYBAQQ-CWKFCGSDSA-N 2 0 251.252 -0.152 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662874052 419761341 /nfs/dbraw/zinc/76/13/41/419761341.db2.gz LUWCEIURYHYLDH-XYPYZODXSA-N 2 0 270.377 -0.798 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)COCC[NH3+])C1 ZINC000648157934 419762463 /nfs/dbraw/zinc/76/24/63/419762463.db2.gz VWFZFMIENRFEGQ-VXGBXAGGSA-N 2 0 255.362 -0.096 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000662886361 419764757 /nfs/dbraw/zinc/76/47/57/419764757.db2.gz FJWHGXPICSAFDY-YNEHKIRRSA-N 2 0 269.389 -0.054 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000662905620 419765469 /nfs/dbraw/zinc/76/54/69/419765469.db2.gz FIWSMMYNEQAPBX-QWHCGFSZSA-N 2 0 280.416 -0.119 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000662906548 419765638 /nfs/dbraw/zinc/76/56/38/419765638.db2.gz NNAODNZCZZCMQN-VXGBXAGGSA-N 2 0 266.389 -0.510 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000662908381 419766288 /nfs/dbraw/zinc/76/62/88/419766288.db2.gz UEXAMQDSUOOARM-GRYCIOLGSA-N 2 0 252.362 -0.770 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@H]1CCC[NH2+]CC1 ZINC000662908659 419767493 /nfs/dbraw/zinc/76/74/93/419767493.db2.gz VRONVOBKXYQVID-KBPBESRZSA-N 2 0 280.416 -0.118 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@H]1CCC[NH2+]CC1 ZINC000662908663 419769107 /nfs/dbraw/zinc/76/91/07/419769107.db2.gz VRONVOBKXYQVID-UONOGXRCSA-N 2 0 280.416 -0.118 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648210433 419777428 /nfs/dbraw/zinc/77/74/28/419777428.db2.gz RMYBXXPZGYIJFZ-NEPJUHHUSA-N 2 0 294.399 -0.355 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648210435 419777437 /nfs/dbraw/zinc/77/74/37/419777437.db2.gz RMYBXXPZGYIJFZ-RYUDHWBXSA-N 2 0 294.399 -0.355 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662923112 419777672 /nfs/dbraw/zinc/77/76/72/419777672.db2.gz WQGHGDPUEXWQFE-GHMZBOCLSA-N 2 0 288.367 -0.706 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000662929464 419780790 /nfs/dbraw/zinc/78/07/90/419780790.db2.gz AYZXQRFODAVWKT-LBPRGKRZSA-N 2 0 296.415 -0.123 20 0 CBADRP [NH3+]C1(CC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000662777983 419721128 /nfs/dbraw/zinc/72/11/28/419721128.db2.gz KHOFFDVYSIVYET-LLVKDONJSA-N 2 0 252.362 -0.626 20 0 CBADRP C[NH+](C)CC1CCC(NC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662789159 419723533 /nfs/dbraw/zinc/72/35/33/419723533.db2.gz UBTXDKKLZDYYRF-UHFFFAOYSA-N 2 0 255.362 -0.443 20 0 CBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CCO1 ZINC000662973574 419800704 /nfs/dbraw/zinc/80/07/04/419800704.db2.gz RPWTZOZAWQOBHV-KGLIPLIRSA-N 2 0 299.415 -0.066 20 0 CBADRP COCC[NH2+]CC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662973649 419801996 /nfs/dbraw/zinc/80/19/96/419801996.db2.gz SZNVQTQWORLRTC-ZDUSSCGKSA-N 2 0 287.404 -0.208 20 0 CBADRP [NH3+]CC(=O)NCC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663005876 419809220 /nfs/dbraw/zinc/80/92/20/419809220.db2.gz YZHCMKPKKYPJBE-LBPRGKRZSA-N 2 0 282.388 -0.701 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013948 419809889 /nfs/dbraw/zinc/80/98/89/419809889.db2.gz HUMYNJABUWUHES-LLVKDONJSA-N 2 0 292.387 -0.516 20 0 CBADRP C[C@@]1(NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC[NH2+]C1 ZINC000663010883 419810780 /nfs/dbraw/zinc/81/07/80/419810780.db2.gz LOPBGHZENLRBFW-NOZJJQNGSA-N 2 0 263.345 -0.032 20 0 CBADRP CC(C)[C@H](C(=O)N(C)CCN1CC[NH2+]CC1)[NH+](C)C ZINC000649271749 419858646 /nfs/dbraw/zinc/85/86/46/419858646.db2.gz VXAOFHJJQRJQLB-CYBMUJFWSA-N 2 0 270.421 -0.064 20 0 CBADRP CC(C)[C@H]1CN([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC[NH2+]1 ZINC000663222898 419829791 /nfs/dbraw/zinc/82/97/91/419829791.db2.gz OBDFVJDKSMLILB-CHWSQXEVSA-N 2 0 296.415 -0.395 20 0 CBADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCOC2(C[NH2+]C2)C1 ZINC000663218061 419829827 /nfs/dbraw/zinc/82/98/27/419829827.db2.gz YJHOCHLFCVOBLL-CMPLNLGQSA-N 2 0 251.330 -0.813 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000649274629 419859151 /nfs/dbraw/zinc/85/91/51/419859151.db2.gz SGSYVVRVMKZRNV-UONOGXRCSA-N 2 0 298.431 -0.411 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)C1CC[NH+](C)CC1 ZINC000649271637 419859442 /nfs/dbraw/zinc/85/94/42/419859442.db2.gz PTTAJZHZJMQZOP-UHFFFAOYSA-N 2 0 268.405 -0.308 20 0 CBADRP CN1CCN(Cc2nc3c(s2)C[NH2+]CC3)[C@H](C[NH3+])C1 ZINC000663493776 419841856 /nfs/dbraw/zinc/84/18/56/419841856.db2.gz JVPAHDZTASRULC-SNVBAGLBSA-N 2 0 281.429 -0.137 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663495652 419842269 /nfs/dbraw/zinc/84/22/69/419842269.db2.gz PAGFPBJZPPPAOP-MBNYWOFBSA-N 3 0 266.389 -0.617 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663489592 419843406 /nfs/dbraw/zinc/84/34/06/419843406.db2.gz HYHPHUZOHMYKHM-LLVKDONJSA-N 2 0 253.346 -0.329 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663491969 419843433 /nfs/dbraw/zinc/84/34/33/419843433.db2.gz OPEJBIKRYNSVCS-ZDUSSCGKSA-N 2 0 275.352 -0.243 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H]1O ZINC000663681316 419855108 /nfs/dbraw/zinc/85/51/08/419855108.db2.gz JRIKHPRROZJRSY-XUXIUFHCSA-N 2 0 296.415 -0.071 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000662939272 419788391 /nfs/dbraw/zinc/78/83/91/419788391.db2.gz NJXDQZUWPKDKOV-STQMWFEESA-N 2 0 296.415 -0.264 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH2+]CC2(C)C)CC1=O ZINC000649273749 419857677 /nfs/dbraw/zinc/85/76/77/419857677.db2.gz BQQHLQJDGMXDCA-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP CC(C)[C@H](C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+](C)C ZINC000662946410 419791082 /nfs/dbraw/zinc/79/10/82/419791082.db2.gz SNBADPVEVJLPNV-GFCCVEGCSA-N 2 0 281.360 -0.157 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1c[nH]cn1 ZINC000662953566 419791891 /nfs/dbraw/zinc/79/18/91/419791891.db2.gz MMHGBBGCKBIITO-GFCCVEGCSA-N 2 0 293.371 -0.031 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]cn2)[C@H](C)C[NH2+]1 ZINC000662954173 419793050 /nfs/dbraw/zinc/79/30/50/419793050.db2.gz MGYZZBWSJZOCRU-NXEZZACHSA-N 2 0 279.344 -0.423 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000662964933 419796477 /nfs/dbraw/zinc/79/64/77/419796477.db2.gz JQKTYCBMZHNCBA-NXEZZACHSA-N 2 0 266.349 -0.632 20 0 CBADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CNC(=O)C[NH3+] ZINC000347690057 419799082 /nfs/dbraw/zinc/79/90/82/419799082.db2.gz MFBWEKQIVZMHRX-PHIMTYICSA-N 2 0 270.377 -0.560 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649314151 419877300 /nfs/dbraw/zinc/87/73/00/419877300.db2.gz OYGDFJJTMCCFOP-JTQLQIEISA-N 2 0 279.331 -0.074 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649313236 419877813 /nfs/dbraw/zinc/87/78/13/419877813.db2.gz QODAQBBWXNGFSC-NDBYEHHHSA-N 2 0 294.399 -0.845 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649313153 419879518 /nfs/dbraw/zinc/87/95/18/419879518.db2.gz DYFWNRYLEZNBPT-LOWDOPEQSA-N 2 0 294.399 -0.560 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000649320997 419883652 /nfs/dbraw/zinc/88/36/52/419883652.db2.gz HZMPSBWPTFXAPW-UTUOFQBUSA-N 2 0 255.362 -0.219 20 0 CBADRP CC1(OCC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C[NH2+]C1 ZINC000649320895 419884342 /nfs/dbraw/zinc/88/43/42/419884342.db2.gz DJLSINHCRVQGBY-QWHCGFSZSA-N 2 0 297.399 -0.578 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000649321021 419884729 /nfs/dbraw/zinc/88/47/29/419884729.db2.gz IOCPPBHUEYQMCS-YVECIDJPSA-N 2 0 267.373 -0.219 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649323715 419887526 /nfs/dbraw/zinc/88/75/26/419887526.db2.gz SPTTVGXXNRUICW-WYUUTHIRSA-N 2 0 253.346 -0.711 20 0 CBADRP C[C@@H](C(=O)N[C@H](CO)C[NH+]1CCCCC1)[NH+](C)C ZINC000665887391 544618219 /nfs/dbraw/zinc/61/82/19/544618219.db2.gz WWOTWGXKTPSDSX-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP O=C(NCC[NH+]1CCCC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000649280636 419863400 /nfs/dbraw/zinc/86/34/00/419863400.db2.gz ANAYRGDRUDTANT-GFCCVEGCSA-N 2 0 292.387 -0.144 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000666920291 544650506 /nfs/dbraw/zinc/65/05/06/544650506.db2.gz REJUJLOUUVLRID-MELADBBJSA-N 2 0 296.415 -0.069 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649352913 419903307 /nfs/dbraw/zinc/90/33/07/419903307.db2.gz UFRFGFQNYKSSQZ-KKOKHZNYSA-N 2 0 252.362 -0.901 20 0 CBADRP C[C@@H](C(=O)N1C[C@@H](C)N(CCO)C[C@@H]1C)[NH+](C)C ZINC000668041772 544682776 /nfs/dbraw/zinc/68/27/76/544682776.db2.gz WLMLKSDHZMAMKA-WOPDTQHZSA-N 2 0 257.378 -0.150 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000649359321 419903732 /nfs/dbraw/zinc/90/37/32/419903732.db2.gz UCARNSUXJOWTSK-KGLIPLIRSA-N 2 0 280.416 -0.166 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+](C)CC1 ZINC000649351993 419903749 /nfs/dbraw/zinc/90/37/49/419903749.db2.gz CXAXWNUHYUFAGS-WUHRBBMRSA-N 2 0 266.389 -0.796 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649352901 419905293 /nfs/dbraw/zinc/90/52/93/419905293.db2.gz SVJWFGUWFOEEAU-GHMZBOCLSA-N 2 0 290.358 -0.407 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)NCc1ncn(C)n1 ZINC000664563869 419907930 /nfs/dbraw/zinc/90/79/30/419907930.db2.gz YRROZBPQSUBUBS-UHFFFAOYSA-N 2 0 297.407 -0.502 20 0 CBADRP CN(C)C(=O)CN1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000649411152 419909175 /nfs/dbraw/zinc/90/91/75/419909175.db2.gz XCLVREOBQZVUCP-ZDUSSCGKSA-N 2 0 268.405 -0.308 20 0 CBADRP C(CN1CCOCC1)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000649419576 419909266 /nfs/dbraw/zinc/90/92/66/419909266.db2.gz WLNVLIVKJZXJHQ-OAHLLOKOSA-N 2 0 282.432 -0.312 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649418711 419910713 /nfs/dbraw/zinc/91/07/13/419910713.db2.gz ZMBLKVRUNUPKDN-OCCSQVGLSA-N 2 0 280.416 -0.119 20 0 CBADRP CC[NH+](CC)CCNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358691422 419911549 /nfs/dbraw/zinc/91/15/49/419911549.db2.gz YTFZSQIKGIRNGK-ZDUSSCGKSA-N 2 0 272.393 -0.306 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000664727823 419914233 /nfs/dbraw/zinc/91/42/33/419914233.db2.gz QZJFIRVAWVVUTH-GHMZBOCLSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+]C1(C(=O)N2CCOC3(C[NH2+]C3)C2)Cc2ccccc2C1 ZINC000664725524 419914509 /nfs/dbraw/zinc/91/45/09/419914509.db2.gz KXMWZTQUDCIDML-UHFFFAOYSA-N 2 0 287.363 -0.317 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669452005 544749044 /nfs/dbraw/zinc/74/90/44/544749044.db2.gz NSHMUDYZHVKHDK-OLZOCXBDSA-N 2 0 284.404 -0.042 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000669402977 544749350 /nfs/dbraw/zinc/74/93/50/544749350.db2.gz CNKDWAGIZNOXLQ-ZIAGYGMSSA-N 2 0 295.431 -0.230 20 0 CBADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCOC2(C[NH2+]C2)C1 ZINC000669491259 544750556 /nfs/dbraw/zinc/75/05/56/544750556.db2.gz RXIUNHQLHXGDPN-ZDUSSCGKSA-N 2 0 294.399 -0.146 20 0 CBADRP CN1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000669512558 544751692 /nfs/dbraw/zinc/75/16/92/544751692.db2.gz AFKIIJIWRHTUBC-IJLUTSLNSA-N 2 0 254.378 -0.395 20 0 CBADRP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC000669690425 544758919 /nfs/dbraw/zinc/75/89/19/544758919.db2.gz JBQIMWZXJDBGDG-GASCZTMLSA-N 2 0 285.432 -0.170 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000671419197 544810300 /nfs/dbraw/zinc/81/03/00/544810300.db2.gz XLQXPNIRRPIPSQ-NSHDSACASA-N 2 0 282.388 -0.593 20 0 CBADRP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000671628002 544826938 /nfs/dbraw/zinc/82/69/38/544826938.db2.gz AKLJPINGZNRWAW-YNEHKIRRSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH+](C)CCN1CCN(C[C@H]2CCC[N@@H+]2C)CC1=O ZINC000649684954 419925046 /nfs/dbraw/zinc/92/50/46/419925046.db2.gz IYJYBJZCTBMQRO-CYBMUJFWSA-N 2 0 268.405 -0.214 20 0 CBADRP C[C@@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000665043425 419925082 /nfs/dbraw/zinc/92/50/82/419925082.db2.gz ICDDPDHJKJCWJM-DCAQKATOSA-N 2 0 258.366 -0.747 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCN(C)S(C)(=O)=O ZINC000665230651 419938713 /nfs/dbraw/zinc/93/87/13/419938713.db2.gz SVLRCSUDHZKNCO-VHSXEESVSA-N 2 0 251.396 -0.017 20 0 CBADRP C[C@@H](C(=O)NCCCNC(=O)[C@H](C)[NH+](C)C)[NH+](C)C ZINC000672245483 544844422 /nfs/dbraw/zinc/84/44/22/544844422.db2.gz MQHWAJXLUDRJGN-QWRGUYRKSA-N 2 0 272.393 -0.491 20 0 CBADRP O=C(CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCOCC1 ZINC000359274063 419954008 /nfs/dbraw/zinc/95/40/08/419954008.db2.gz AQETZVSJBGYKNT-VXGBXAGGSA-N 2 0 253.346 -0.614 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359306550 419957122 /nfs/dbraw/zinc/95/71/22/419957122.db2.gz MMXWEXRUDFFRBD-BETUJISGSA-N 3 0 280.416 -0.262 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000359384130 419962499 /nfs/dbraw/zinc/96/24/99/419962499.db2.gz UVKXPWGGOIJKON-CHWSQXEVSA-N 2 0 266.389 -0.698 20 0 CBADRP COCCN1CCC([NH2+][C@H](C)C(=O)N2CCNC2=O)CC1 ZINC000359952943 419997751 /nfs/dbraw/zinc/99/77/51/419997751.db2.gz RNDZQMLNDKZWNH-LLVKDONJSA-N 2 0 298.387 -0.373 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672308627 544851745 /nfs/dbraw/zinc/85/17/45/544851745.db2.gz VPQKTOKFEBLUJB-CYBMUJFWSA-N 2 0 296.415 -0.393 20 0 CBADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@@H]1C[NH2+]CCO1 ZINC000364587768 420040921 /nfs/dbraw/zinc/04/09/21/420040921.db2.gz OMUQSMKWCNQDFY-ZDUSSCGKSA-N 2 0 261.325 -0.106 20 0 CBADRP CCO[C@@H]1CN(C(=O)NC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000652200349 420049471 /nfs/dbraw/zinc/04/94/71/420049471.db2.gz XIFXZRGDHKOSAV-ZYHUDNBSSA-N 2 0 270.377 -0.256 20 0 CBADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCCN1CC[NH2+]CC1)C2 ZINC000652201439 420049790 /nfs/dbraw/zinc/04/97/90/420049790.db2.gz GHPJAFVGFZNIJP-ZFWWWQNUSA-N 2 0 295.431 -0.338 20 0 CBADRP [NH3+]CC(=O)NCC(=O)NCC1([NH3+])CCCCCC1 ZINC000365048825 420051920 /nfs/dbraw/zinc/05/19/20/420051920.db2.gz RBKMJSADRGTTQZ-UHFFFAOYSA-N 2 0 256.350 -0.771 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000652218003 420052327 /nfs/dbraw/zinc/05/23/27/420052327.db2.gz SFMXBIYMTHHFNV-SNVBAGLBSA-N 2 0 258.366 -0.256 20 0 CBADRP CCO[C@@H]1CN(C(=O)N[C@H](C)[C@@H](C)[NH3+])C[C@H]1C[NH3+] ZINC000652220743 420052882 /nfs/dbraw/zinc/05/28/82/420052882.db2.gz IKXQHNGVTFTQAM-GWOFURMSSA-N 2 0 258.366 -0.273 20 0 CBADRP CN1CCN(C(=O)NCCC2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000652323635 420057710 /nfs/dbraw/zinc/05/77/10/420057710.db2.gz MCYJDKUYFYLDIK-ZDUSSCGKSA-N 2 0 283.420 -0.340 20 0 CBADRP CN1CCN(C(=O)NCCC2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000652323634 420057751 /nfs/dbraw/zinc/05/77/51/420057751.db2.gz MCYJDKUYFYLDIK-CYBMUJFWSA-N 2 0 283.420 -0.340 20 0 CBADRP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)NC(N)=O)CC1 ZINC000365400744 420061951 /nfs/dbraw/zinc/06/19/51/420061951.db2.gz AOMSNFBXCBEHHD-JTQLQIEISA-N 2 0 256.350 -0.013 20 0 CBADRP COCC[NH2+]CCNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000652612226 420070397 /nfs/dbraw/zinc/07/03/97/420070397.db2.gz MCASHKCEMMYGBM-UHFFFAOYSA-N 2 0 298.391 -0.198 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000366932202 420095860 /nfs/dbraw/zinc/09/58/60/420095860.db2.gz JRUIZSBYVSCMMF-VOAKCMCISA-N 2 0 267.373 -0.443 20 0 CBADRP O=C(NC[C@H]1C[NH2+]C[C@@H]1O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000367475777 420107221 /nfs/dbraw/zinc/10/72/21/420107221.db2.gz FNFVAUIOJIHJSN-HNCHTBHHSA-N 2 0 253.346 -0.927 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCCN1CC[NH2+]CC1 ZINC000653043120 420108935 /nfs/dbraw/zinc/10/89/35/420108935.db2.gz BHLNXOGPVUZSJP-QWHCGFSZSA-N 2 0 268.405 -0.085 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653049619 420109606 /nfs/dbraw/zinc/10/96/06/420109606.db2.gz WGOVVRPZVRBAMY-JSGCOSHPSA-N 2 0 267.373 -0.320 20 0 CBADRP C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C[C@H](C)[NH2+]1 ZINC000653050308 420109866 /nfs/dbraw/zinc/10/98/66/420109866.db2.gz QSFXZMJCUQNOAA-ZPFDUUQYSA-N 2 0 253.346 -0.569 20 0 CBADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653048581 420110389 /nfs/dbraw/zinc/11/03/89/420110389.db2.gz JVHQTSBCCVNLQX-OSMZGAPFSA-N 2 0 267.373 -0.192 20 0 CBADRP [NH3+]C1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653047165 420110582 /nfs/dbraw/zinc/11/05/82/420110582.db2.gz HYZPRVBHIIILSL-YUVKLTJASA-N 2 0 253.346 -0.392 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653056245 420111441 /nfs/dbraw/zinc/11/14/41/420111441.db2.gz ZWLPLQIMFCQDQS-GVXVVHGQSA-N 2 0 255.362 -0.144 20 0 CBADRP C[C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)[NH+]1CCCC1 ZINC000653347593 420142315 /nfs/dbraw/zinc/14/23/15/420142315.db2.gz HBQGAHWQCNVBPF-RYUDHWBXSA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]CC2)CCO1 ZINC000653056055 420111917 /nfs/dbraw/zinc/11/19/17/420111917.db2.gz SGLVERMIRZWOIE-SRVKXCTJSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000672594001 544856591 /nfs/dbraw/zinc/85/65/91/544856591.db2.gz AZSYCCHIVPGHBQ-AGIUHOORSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653112749 420116767 /nfs/dbraw/zinc/11/67/67/420116767.db2.gz JAPQYSLOXOCHLS-GVXVVHGQSA-N 2 0 255.362 -0.321 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653110426 420117393 /nfs/dbraw/zinc/11/73/93/420117393.db2.gz IJZJZSFNFBWFBL-JLNYLFASSA-N 2 0 279.384 -0.035 20 0 CBADRP C[C@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[N@@H+]1C ZINC000653119803 420118441 /nfs/dbraw/zinc/11/84/41/420118441.db2.gz WWNLOMZPAOWVRQ-FMSGJZPZSA-N 2 0 267.373 -0.179 20 0 CBADRP CN(C(=O)[C@@H](N)CC[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000653117130 420118824 /nfs/dbraw/zinc/11/88/24/420118824.db2.gz AMXHAPOYZXQDAN-OLZOCXBDSA-N 2 0 268.405 -0.040 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653122035 420119095 /nfs/dbraw/zinc/11/90/95/420119095.db2.gz JLAJDPTWYOWANA-JSGCOSHPSA-N 2 0 285.388 -0.693 20 0 CBADRP CCC[C@H]([NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000367994113 420119387 /nfs/dbraw/zinc/11/93/87/420119387.db2.gz PQTHXUJHJAQJCI-NEPJUHHUSA-N 2 0 254.378 -0.380 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCOCC1 ZINC000653119198 420120084 /nfs/dbraw/zinc/12/00/84/420120084.db2.gz BCMPMCBBXHCJPD-WFASDCNBSA-N 2 0 297.399 -0.551 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653123207 420120203 /nfs/dbraw/zinc/12/02/03/420120203.db2.gz RLENQWOZLZOBGB-GUTXKFCHSA-N 2 0 299.415 -0.305 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC000653121983 420120439 /nfs/dbraw/zinc/12/04/39/420120439.db2.gz HYTOAUBXCLZZLJ-RYUDHWBXSA-N 2 0 256.394 -0.277 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[NH2+]1 ZINC000653136377 420122002 /nfs/dbraw/zinc/12/20/02/420122002.db2.gz NVWYWFZKYUOUNT-ZPFDUUQYSA-N 2 0 253.346 -0.521 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000653168699 420126171 /nfs/dbraw/zinc/12/61/71/420126171.db2.gz NBRAAWZFZMCJSW-LXVYMNJGSA-N 2 0 268.405 -0.005 20 0 CBADRP CC1(OCC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[NH2+]C1 ZINC000653194429 420127783 /nfs/dbraw/zinc/12/77/83/420127783.db2.gz HXAIBLIFKKFWOQ-FZMZJTMJSA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+]CC1(CCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000653221302 420128537 /nfs/dbraw/zinc/12/85/37/420128537.db2.gz QSLFWSDQJLWPHO-LLVKDONJSA-N 2 0 282.388 -0.510 20 0 CBADRP C[C@H]1CCCN(C(=O)CNC(=O)C[NH3+])[C@H]1CC[NH3+] ZINC000653240923 420129337 /nfs/dbraw/zinc/12/93/37/420129337.db2.gz VHLCCJUGAJXHTR-UWVGGRQHSA-N 2 0 256.350 -0.963 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@H]1CC(F)(F)CN1 ZINC000368491006 420134480 /nfs/dbraw/zinc/13/44/80/420134480.db2.gz FLZGQYVQSUJJTH-MRVPVSSYSA-N 2 0 251.277 -0.664 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCC1CC[NH2+]CC1 ZINC000653272534 420134685 /nfs/dbraw/zinc/13/46/85/420134685.db2.gz SISAUDZHVYTEGN-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000653283257 420135094 /nfs/dbraw/zinc/13/50/94/420135094.db2.gz WQWYOMIOAFUJOJ-UWVGGRQHSA-N 2 0 257.334 -0.964 20 0 CBADRP CN1CCC[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000653283973 420137533 /nfs/dbraw/zinc/13/75/33/420137533.db2.gz UTUIIGQYXLQEID-NWDGAFQWSA-N 2 0 282.388 -0.641 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@@H](NC[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000653285116 420138483 /nfs/dbraw/zinc/13/84/83/420138483.db2.gz DFNKTIYDEQQAKA-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP [NH3+]CC1(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000652676643 420070833 /nfs/dbraw/zinc/07/08/33/420070833.db2.gz DDYUXIGEDMSVSS-NSHDSACASA-N 2 0 294.399 -0.416 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652676631 420071128 /nfs/dbraw/zinc/07/11/28/420071128.db2.gz CQDKJGAVLNPMJZ-LLVKDONJSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCC[N@H+](C)CC(C)C)C1 ZINC000652706097 420074758 /nfs/dbraw/zinc/07/47/58/420074758.db2.gz VIFFBTINNVJELQ-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652709824 420074877 /nfs/dbraw/zinc/07/48/77/420074877.db2.gz ALURWXWEDFTNEC-UHFFFAOYSA-N 2 0 296.415 -0.214 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000652705885 420075498 /nfs/dbraw/zinc/07/54/98/420075498.db2.gz QGVNKTZXZUPEBL-LBPRGKRZSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652731337 420079919 /nfs/dbraw/zinc/07/99/19/420079919.db2.gz IDKGSJKATOAULO-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652735081 420079948 /nfs/dbraw/zinc/07/99/48/420079948.db2.gz BKPPXGXBOJRTML-UHFFFAOYSA-N 2 0 284.404 -0.439 20 0 CBADRP C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000366347200 420082365 /nfs/dbraw/zinc/08/23/65/420082365.db2.gz NPTJKNQEXFDGID-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000366347055 420082834 /nfs/dbraw/zinc/08/28/34/420082834.db2.gz MXZLSPYWQIYURL-NEPJUHHUSA-N 2 0 255.362 -0.048 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654662539 420189525 /nfs/dbraw/zinc/18/95/25/420189525.db2.gz SKOAYQZNZUYYIR-BETUJISGSA-N 2 0 286.420 -0.060 20 0 CBADRP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H]1C[NH+]2CCC1CC2 ZINC000386430839 420202771 /nfs/dbraw/zinc/20/27/71/420202771.db2.gz ANEHASLWTYAZDF-VXGBXAGGSA-N 2 0 253.346 -0.473 20 0 CBADRP CN(C)S(=O)(=O)CC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000387986216 420203665 /nfs/dbraw/zinc/20/36/65/420203665.db2.gz IRMLFBTVFNJMAH-UHFFFAOYSA-N 2 0 293.433 -0.292 20 0 CBADRP CN(C(=O)CN1CC[NH2+]CC1)[C@H]1C[NH+]2CCC1CC2 ZINC000388927903 420205759 /nfs/dbraw/zinc/20/57/59/420205759.db2.gz XBDYAYDNNILXSV-ZDUSSCGKSA-N 2 0 266.389 -0.556 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396486004 420212738 /nfs/dbraw/zinc/21/27/38/420212738.db2.gz JTBVEAHRRJYBQG-FZMZJTMJSA-N 2 0 298.431 -0.068 20 0 CBADRP COCCNC(=[NH2+])NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368917386 420147097 /nfs/dbraw/zinc/14/70/97/420147097.db2.gz CORVPCQVYPRFOA-WDEREUQCSA-N 2 0 256.350 -0.390 20 0 CBADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000653663790 420154699 /nfs/dbraw/zinc/15/46/99/420154699.db2.gz KAMLTAXHXFWGKZ-MNOVXSKESA-N 2 0 257.378 -0.054 20 0 CBADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000653663791 420155263 /nfs/dbraw/zinc/15/52/63/420155263.db2.gz KAMLTAXHXFWGKZ-QWRGUYRKSA-N 2 0 257.378 -0.054 20 0 CBADRP C[NH+](C)CC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369340705 420158202 /nfs/dbraw/zinc/15/82/02/420158202.db2.gz ADIAAIZMMRIOGM-ZDUSSCGKSA-N 2 0 268.405 -0.214 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[N@H+](C)CC2)CC1=O ZINC000369936764 420169197 /nfs/dbraw/zinc/16/91/97/420169197.db2.gz NCFUHXKKFWOFNX-CYBMUJFWSA-N 2 0 296.415 -0.439 20 0 CBADRP C[C@@H](C(=O)NCCN1C[C@H]2CC[C@@H](C1)O2)[NH+](C)C ZINC000653864447 420170440 /nfs/dbraw/zinc/17/04/40/420170440.db2.gz JJZGWAYPUHCCAH-SDDRHHMPSA-N 2 0 255.362 -0.084 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654438442 420178664 /nfs/dbraw/zinc/17/86/64/420178664.db2.gz DMPRTLXYRNDFDK-MJBXVCDLSA-N 2 0 297.447 -0.128 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000654460824 420181067 /nfs/dbraw/zinc/18/10/67/420181067.db2.gz AZHQMRXVKMASBD-ZOBORPQBSA-N 2 0 296.415 -0.071 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CCC(CO)(OC)CC1 ZINC000401880254 420222449 /nfs/dbraw/zinc/22/24/49/420222449.db2.gz PZFUAYKAZSLBGG-LBPRGKRZSA-N 2 0 260.378 -0.228 20 0 CBADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400235306 420222842 /nfs/dbraw/zinc/22/28/42/420222842.db2.gz USDDLAYPBPXAIQ-GHMZBOCLSA-N 2 0 279.406 -0.636 20 0 CBADRP C[C@H]1CCC[N@H+](CCN2C(=O)CNC2=O)[C@H]1CC[NH3+] ZINC000404288416 420225049 /nfs/dbraw/zinc/22/50/49/420225049.db2.gz JGHCQQHNETZERJ-QWRGUYRKSA-N 2 0 268.361 -0.013 20 0 CBADRP CCO[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1C[NH3+] ZINC000405855501 420227864 /nfs/dbraw/zinc/22/78/64/420227864.db2.gz LEDWTVJZWPNSPR-VXGBXAGGSA-N 2 0 255.362 -0.096 20 0 CBADRP CCO[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1C[NH3+] ZINC000405866341 420227941 /nfs/dbraw/zinc/22/79/41/420227941.db2.gz PLRZXBJTLNXENT-ZYHUDNBSSA-N 2 0 255.362 -0.097 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655244180 420233909 /nfs/dbraw/zinc/23/39/09/420233909.db2.gz NRZOHJYHPIFDSJ-IGQOVBAYSA-N 2 0 299.415 -0.069 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000655295027 420237894 /nfs/dbraw/zinc/23/78/94/420237894.db2.gz PCAVJSQCNWJJFY-XDQVBPFNSA-N 2 0 281.400 -0.006 20 0 CBADRP CCC[NH2+]CCNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000415213615 420241041 /nfs/dbraw/zinc/24/10/41/420241041.db2.gz LYXZKYVNPUGNBB-UHFFFAOYSA-N 2 0 282.392 0.566 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418835587 420242735 /nfs/dbraw/zinc/24/27/35/420242735.db2.gz NYKMIWYRXAQOET-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000419107309 420242922 /nfs/dbraw/zinc/24/29/22/420242922.db2.gz PMJYXMAPYXKBRD-QWRGUYRKSA-N 2 0 282.388 -0.417 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000418948821 420243176 /nfs/dbraw/zinc/24/31/76/420243176.db2.gz QZXIMTWCWZIFRN-MNOVXSKESA-N 2 0 272.393 -0.456 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC[NH2+]C ZINC000418930720 420243238 /nfs/dbraw/zinc/24/32/38/420243238.db2.gz GBLOZFDTFCTHJW-JTQLQIEISA-N 2 0 258.366 -0.832 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000418936786 420243508 /nfs/dbraw/zinc/24/35/08/420243508.db2.gz KIIGOPWIZFRGQX-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419501825 420244790 /nfs/dbraw/zinc/24/47/90/420244790.db2.gz CDJSCNYDSPKMDG-FRRDWIJNSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000419543216 420244837 /nfs/dbraw/zinc/24/48/37/420244837.db2.gz GAVMAUSIXHUXIL-WOPDTQHZSA-N 2 0 284.404 -0.301 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000419337537 420245638 /nfs/dbraw/zinc/24/56/38/420245638.db2.gz QUCJRAXGKRYHHR-NQBHXWOUSA-N 2 0 296.415 -0.301 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000419408899 420245647 /nfs/dbraw/zinc/24/56/47/420245647.db2.gz MKVIFXNCBDHEDL-LBPRGKRZSA-N 2 0 284.404 -0.440 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000419664082 420245802 /nfs/dbraw/zinc/24/58/02/420245802.db2.gz LLZWIHQROGTMCM-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419846162 420245991 /nfs/dbraw/zinc/24/59/91/420245991.db2.gz RGSBQXHZLDOJKL-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[N@H+](C)C1CC1 ZINC000419590819 420246179 /nfs/dbraw/zinc/24/61/79/420246179.db2.gz QLTOZZWVBUPBAL-QWRGUYRKSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419959309 420247544 /nfs/dbraw/zinc/24/75/44/420247544.db2.gz XDTMDKWZAITTAA-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000419962051 420247948 /nfs/dbraw/zinc/24/79/48/420247948.db2.gz UUDCCMUJNYIGCF-GFCCVEGCSA-N 2 0 284.404 -0.360 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000420028509 420248030 /nfs/dbraw/zinc/24/80/30/420248030.db2.gz HHHAIDAHGFLMAO-STQMWFEESA-N 2 0 296.415 -0.219 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655449470 420249993 /nfs/dbraw/zinc/24/99/93/420249993.db2.gz HIFAUOKMUYAEEA-ZFWWWQNUSA-N 2 0 280.416 -0.260 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000655449779 420250159 /nfs/dbraw/zinc/25/01/59/420250159.db2.gz OLJXQXDUBBBDIZ-STQMWFEESA-N 2 0 268.405 -0.167 20 0 CBADRP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000655462507 420253140 /nfs/dbraw/zinc/25/31/40/420253140.db2.gz QXTGHCMWMXSMTG-DZKIICNBSA-N 2 0 292.427 -0.118 20 0 CBADRP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000655462508 420253248 /nfs/dbraw/zinc/25/32/48/420253248.db2.gz QXTGHCMWMXSMTG-IJEWVQPXSA-N 2 0 292.427 -0.118 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000422891014 420254501 /nfs/dbraw/zinc/25/45/01/420254501.db2.gz UJOJDUJXWUVCEB-AGIUHOORSA-N 2 0 268.405 -0.086 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422971381 420256146 /nfs/dbraw/zinc/25/61/46/420256146.db2.gz IOAYHBUHGHRFJQ-RYUDHWBXSA-N 2 0 284.404 -0.362 20 0 CBADRP COC1(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC[NH2+]CC1 ZINC000655505215 420258967 /nfs/dbraw/zinc/25/89/67/420258967.db2.gz SNOUSNPQOJZINH-ZETCQYMHSA-N 2 0 269.267 -0.239 20 0 CBADRP C[C@H]1OCCN[C@@H]1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423851561 420258950 /nfs/dbraw/zinc/25/89/50/420258950.db2.gz ROBSAEBRNURTKF-PWSUYJOCSA-N 2 0 255.362 -0.084 20 0 CBADRP [NH3+]C[C@@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000655514867 420262455 /nfs/dbraw/zinc/26/24/55/420262455.db2.gz FMIJKMNCFWNUQV-JGVFFNPUSA-N 2 0 296.293 -0.750 20 0 CBADRP CCCCNC(=O)CC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430621206 420271818 /nfs/dbraw/zinc/27/18/18/420271818.db2.gz CHOIZLIUNODKSI-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP C[N@H+](CCC(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC000430609924 420272327 /nfs/dbraw/zinc/27/23/27/420272327.db2.gz JEFHCNDVMCGAEW-UHFFFAOYSA-N 2 0 255.362 -0.081 20 0 CBADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000430615203 420272671 /nfs/dbraw/zinc/27/26/71/420272671.db2.gz BFUDSADVJACFPT-MNOVXSKESA-N 2 0 255.362 -0.131 20 0 CBADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000430615208 420273399 /nfs/dbraw/zinc/27/33/99/420273399.db2.gz BFUDSADVJACFPT-WDEREUQCSA-N 2 0 255.362 -0.131 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655968911 420284235 /nfs/dbraw/zinc/28/42/35/420284235.db2.gz AWRCOBSCEDGSDN-QNWHQSFQSA-N 2 0 282.388 -0.426 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]1 ZINC000655967022 420284570 /nfs/dbraw/zinc/28/45/70/420284570.db2.gz KRMQVCHBISJGBI-FVCCEPFGSA-N 2 0 282.388 -0.413 20 0 CBADRP COCC[NH2+]CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655964643 420285830 /nfs/dbraw/zinc/28/58/30/420285830.db2.gz AYKJDNBVDNEUFE-TXEJJXNPSA-N 2 0 272.393 -0.138 20 0 CBADRP C[NH+](C)CCCn1cc(CN2CC[NH2+]CC2)nn1 ZINC000656436889 420309867 /nfs/dbraw/zinc/30/98/67/420309867.db2.gz CHYYBMJSYKCACS-UHFFFAOYSA-N 2 0 252.366 -0.365 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](Cn2cc(C[C@H]([NH3+])CO)nn2)C1 ZINC000656448992 420310198 /nfs/dbraw/zinc/31/01/98/420310198.db2.gz TTWFBIOJIUWNQI-JSGCOSHPSA-N 2 0 297.403 -0.503 20 0 CBADRP C[NH+]1CCN(Cc2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000656467899 420312311 /nfs/dbraw/zinc/31/23/11/420312311.db2.gz UADBYVSOCOIJSP-GFCCVEGCSA-N 2 0 250.350 -0.440 20 0 CBADRP CN1CCO[C@@H]2CN(C(=O)/C=C\C[NH+](C)C)C[C@@H]21 ZINC000493842292 420315386 /nfs/dbraw/zinc/31/53/86/420315386.db2.gz YZQAYDWIZRRTOZ-KBIXYVOKSA-N 2 0 253.346 -0.354 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(C[C@@H]1C[NH2+]CCO1)C2=O ZINC000656611518 420318311 /nfs/dbraw/zinc/31/83/11/420318311.db2.gz KHIXRLJPIVZXCW-COPLHBTASA-N 2 0 296.371 -0.586 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000516766131 420363225 /nfs/dbraw/zinc/36/32/25/420363225.db2.gz DBWREUBDAAQTPM-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCO[C@@H]2CC2(F)F)CC1 ZINC000656707472 420319661 /nfs/dbraw/zinc/31/96/61/420319661.db2.gz CCZLDOPOVMLHDZ-NWDGAFQWSA-N 2 0 293.358 -0.392 20 0 CBADRP COCCC1CN(C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000656702778 420319680 /nfs/dbraw/zinc/31/96/80/420319680.db2.gz IVAIUEMIIAPEFR-CYBMUJFWSA-N 2 0 260.378 -0.106 20 0 CBADRP CCC[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)OC ZINC000516762502 420363382 /nfs/dbraw/zinc/36/33/82/420363382.db2.gz CCTXJVRJFAJPDD-KBPBESRZSA-N 2 0 273.421 -0.001 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000516766125 420364215 /nfs/dbraw/zinc/36/42/15/420364215.db2.gz DBWREUBDAAQTPM-AGIUHOORSA-N 2 0 296.415 -0.347 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000516768632 420364265 /nfs/dbraw/zinc/36/42/65/420364265.db2.gz NODDTRUUJJRBQQ-NKWVEPMBSA-N 2 0 257.256 -0.254 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C)N1CCC(=O)N1CC[NH2+]CC1 ZINC000516770850 420364412 /nfs/dbraw/zinc/36/44/12/420364412.db2.gz PPAIEPPYCTVSML-TXEJJXNPSA-N 2 0 254.378 -0.510 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000516567817 420361759 /nfs/dbraw/zinc/36/17/59/420361759.db2.gz FWQAPLSRJLGXJT-GRYCIOLGSA-N 2 0 253.346 -0.567 20 0 CBADRP C[C@@H]([NH3+])C1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000516568624 420362161 /nfs/dbraw/zinc/36/21/61/420362161.db2.gz PNUWARXDVPZTSQ-ZYHUDNBSSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000656019757 420292792 /nfs/dbraw/zinc/29/27/92/420292792.db2.gz ITJIPQFOADPDHR-RWMBFGLXSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000656022233 420293212 /nfs/dbraw/zinc/29/32/12/420293212.db2.gz WOYXVQXHIZLRRD-KLPPZKSPSA-N 2 0 282.388 -0.689 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656022070 420293258 /nfs/dbraw/zinc/29/32/58/420293258.db2.gz AVMXMACCENHCIS-GRYCIOLGSA-N 2 0 284.404 -0.458 20 0 CBADRP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656022664 420293525 /nfs/dbraw/zinc/29/35/25/420293525.db2.gz JEXRCVIYZZYBIS-NWDGAFQWSA-N 2 0 280.372 -0.793 20 0 CBADRP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656022666 420293629 /nfs/dbraw/zinc/29/36/29/420293629.db2.gz JEXRCVIYZZYBIS-VXGBXAGGSA-N 2 0 280.372 -0.793 20 0 CBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[NH2+]C)CC1 ZINC000656021709 420293965 /nfs/dbraw/zinc/29/39/65/420293965.db2.gz HJZLAYVRVPMCEH-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000447436609 420294666 /nfs/dbraw/zinc/29/46/66/420294666.db2.gz ALZWCQICEQMPJV-SNVBAGLBSA-N 2 0 269.349 -0.253 20 0 CBADRP CO[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C(C)C ZINC000516965273 420368619 /nfs/dbraw/zinc/36/86/19/420368619.db2.gz NHOWWEAYWHMHJU-KGLIPLIRSA-N 2 0 273.421 -0.145 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC000658099928 420368995 /nfs/dbraw/zinc/36/89/95/420368995.db2.gz NUBBPANEMLROQZ-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@H](C)[NH3+] ZINC000517370437 420376865 /nfs/dbraw/zinc/37/68/65/420376865.db2.gz YCQJCCPRPYGLCA-IVZWLZJFSA-N 2 0 256.350 -0.903 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000517570248 420378106 /nfs/dbraw/zinc/37/81/06/420378106.db2.gz VMDXBBXMSPFEOF-NHCYSSNCSA-N 2 0 270.377 -0.800 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000518769233 420381043 /nfs/dbraw/zinc/38/10/43/420381043.db2.gz ICAKWXVZKFPZAK-VIFPVBQESA-N 2 0 257.334 -0.523 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000518534972 420382525 /nfs/dbraw/zinc/38/25/25/420382525.db2.gz RMLUMKIGPXWSNH-UHFFFAOYSA-N 2 0 291.355 -0.691 20 0 CBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCN2CC[NH2+]CC2)C1(C)C ZINC000519603144 420384165 /nfs/dbraw/zinc/38/41/65/420384165.db2.gz ZUDDIKDQNNKWOU-IUODEOHRSA-N 2 0 298.431 -0.460 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000519697651 420386788 /nfs/dbraw/zinc/38/67/88/420386788.db2.gz RPEFTOVFOUMFQN-GHMZBOCLSA-N 2 0 272.418 -0.899 20 0 CBADRP CCN(C(=O)C(=O)N(C)CC[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000658808009 420388167 /nfs/dbraw/zinc/38/81/67/420388167.db2.gz SZXAGKSZHVKTJD-GFCCVEGCSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCC[NH2+]CCOC ZINC000519755332 420388320 /nfs/dbraw/zinc/38/83/20/420388320.db2.gz AXHJVHDOXJHGKP-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP C[C@]1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCC[NH2+]1 ZINC000519781202 420390022 /nfs/dbraw/zinc/39/00/22/420390022.db2.gz ZETZTUMGWNWUTJ-BXUZGUMPSA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+](C)C ZINC000674246205 544898687 /nfs/dbraw/zinc/89/86/87/544898687.db2.gz GJTNZOIVKWWAOR-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[NH+](C)C ZINC000674287728 544900148 /nfs/dbraw/zinc/90/01/48/544900148.db2.gz ZPUKMBUOEYOUHX-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H](C(=O)N1CCN(CC[NH+](C)C)CC1)[NH+](C)C ZINC000674285642 544900993 /nfs/dbraw/zinc/90/09/93/544900993.db2.gz PQOHMJLPBWBHKQ-LBPRGKRZSA-N 2 0 256.394 -0.358 20 0 CBADRP CN1CCN(CC(=O)N2CCN([C@H]3CCOC3)CC2)CC1 ZINC000676341148 544948518 /nfs/dbraw/zinc/94/85/18/544948518.db2.gz HZXBPBFPEPMUIH-AWEZNQCLSA-N 2 0 296.415 -0.833 20 0 CBADRP COCC1(CNC(=O)[C@@H]([NH3+])COC(C)C)CC[NH2+]CC1 ZINC000659308204 420408503 /nfs/dbraw/zinc/40/85/03/420408503.db2.gz ATBVMYUPFOZJOK-LBPRGKRZSA-N 2 0 287.404 -0.129 20 0 CBADRP COC[C@]1(CNC(=O)[C@@H]([NH3+])COC(C)C)CCC[NH2+]1 ZINC000659308836 420408736 /nfs/dbraw/zinc/40/87/36/420408736.db2.gz UPPJFVCYTNIERQ-WCQYABFASA-N 2 0 273.377 -0.377 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn(CC[NH3+])nn2)C[C@@H](C)[NH2+]1 ZINC000659297398 420409056 /nfs/dbraw/zinc/40/90/56/420409056.db2.gz VPHSUHZPKYMLHY-RKDXNWHRSA-N 2 0 252.322 -0.941 20 0 CBADRP [NH3+]C1(C(=O)NC[C@@H]2C[NH2+]CCO2)CC2(CCC2)C1 ZINC000659322707 420411122 /nfs/dbraw/zinc/41/11/22/420411122.db2.gz PKXKCDIPNWHOIO-JTQLQIEISA-N 2 0 253.346 -0.247 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000420107315 287626863 /nfs/dbraw/zinc/62/68/63/287626863.db2.gz ATWBCHGWDMYOHM-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC[C@H]1F ZINC000659388977 420418317 /nfs/dbraw/zinc/41/83/17/420418317.db2.gz OIXICLCGEQILCA-HBNTYKKESA-N 2 0 259.325 -0.347 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424163715 287629047 /nfs/dbraw/zinc/62/90/47/287629047.db2.gz VRNAMOADSRYMIO-GRYCIOLGSA-N 2 0 292.387 -0.070 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)NCC[N@H+](C)CCCOC ZINC000659458991 420421565 /nfs/dbraw/zinc/42/15/65/420421565.db2.gz BLMVWPURVJCIEO-NSHDSACASA-N 2 0 260.382 -0.138 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659356934 420414318 /nfs/dbraw/zinc/41/43/18/420414318.db2.gz AKYUHBWRUOQOCI-RYUDHWBXSA-N 2 0 284.404 -0.537 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000659356950 420414799 /nfs/dbraw/zinc/41/47/99/420414799.db2.gz ASQICFIKMVMMHP-CHWSQXEVSA-N 2 0 298.431 -0.018 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000659506327 420424537 /nfs/dbraw/zinc/42/45/37/420424537.db2.gz PWJHDNLTCRHYQS-LLVKDONJSA-N 2 0 257.382 -0.811 20 0 CBADRP C[NH2+]CCNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000659512505 420425302 /nfs/dbraw/zinc/42/53/02/420425302.db2.gz PLXKCQIGLHYFGD-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC[NH2+]C1CC1 ZINC000659511387 420425318 /nfs/dbraw/zinc/42/53/18/420425318.db2.gz WMJZJJCAPSKZOL-UHFFFAOYSA-N 2 0 299.419 -0.600 20 0 CBADRP COCC[C@@]1(C(=O)N[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000366414883 230246452 /nfs/dbraw/zinc/24/64/52/230246452.db2.gz PNEOVQUEBYTOOI-AAEUAGOBSA-N 2 0 255.362 -0.129 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000659508262 420426199 /nfs/dbraw/zinc/42/61/99/420426199.db2.gz SHFNRWLNTAYXBX-UHFFFAOYSA-N 2 0 257.382 -0.730 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659514917 420426534 /nfs/dbraw/zinc/42/65/34/420426534.db2.gz AAUYKNDWZKKKFI-VIFPVBQESA-N 2 0 282.348 -0.577 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659514957 420427092 /nfs/dbraw/zinc/42/70/92/420427092.db2.gz GPQWVEZHHSXZKU-QWHCGFSZSA-N 2 0 282.388 -0.099 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000659537948 420431123 /nfs/dbraw/zinc/43/11/23/420431123.db2.gz MYVKVUTYBFEQGQ-BDAKNGLRSA-N 2 0 294.359 -0.290 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000659542907 420431570 /nfs/dbraw/zinc/43/15/70/420431570.db2.gz RWBUBGWCNAGDAE-CMPLNLGQSA-N 2 0 258.366 -0.338 20 0 CBADRP COC[C@]1(CNC(=O)N2CC3CC2(C[NH3+])C3)CCC[NH2+]1 ZINC000659543140 420431765 /nfs/dbraw/zinc/43/17/65/420431765.db2.gz SOOFFCWRYDPGSL-HRDQMINSSA-N 2 0 282.388 -0.112 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCO2)CC[C@H]1F ZINC000659551360 420432102 /nfs/dbraw/zinc/43/21/02/420432102.db2.gz BAIOGXRUDUZBKE-OPRDCNLKSA-N 2 0 260.313 -0.945 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000659550586 420432694 /nfs/dbraw/zinc/43/26/94/420432694.db2.gz RMFLRGRGIXIKEJ-SNVBAGLBSA-N 2 0 258.366 -0.256 20 0 CBADRP [NH3+]C1(CNC(=O)NC[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000659556327 420433322 /nfs/dbraw/zinc/43/33/22/420433322.db2.gz WOJSVUMBNVAIIR-JTQLQIEISA-N 2 0 256.350 -0.455 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000659750975 420467176 /nfs/dbraw/zinc/46/71/76/420467176.db2.gz ROROBLLDJDMKED-YNEHKIRRSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000659750510 420467189 /nfs/dbraw/zinc/46/71/89/420467189.db2.gz OOCZEVOVWYBDBJ-QWHCGFSZSA-N 2 0 298.431 -0.195 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000659750300 420467398 /nfs/dbraw/zinc/46/73/98/420467398.db2.gz BJTXVGBPNNJOND-NWDGAFQWSA-N 2 0 298.431 -0.101 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000659750513 420467583 /nfs/dbraw/zinc/46/75/83/420467583.db2.gz OOCZEVOVWYBDBJ-STQMWFEESA-N 2 0 298.431 -0.195 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000659750971 420467706 /nfs/dbraw/zinc/46/77/06/420467706.db2.gz ROROBLLDJDMKED-RWMBFGLXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)CC[NH2+]C2CC2)n1 ZINC000578883092 420467812 /nfs/dbraw/zinc/46/78/12/420467812.db2.gz RRUGGSPAQJGPRP-UHFFFAOYSA-N 2 0 265.361 0.525 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000659756362 420469349 /nfs/dbraw/zinc/46/93/49/420469349.db2.gz QWDBZSJAGTWYKO-XQQFMLRXSA-N 2 0 298.431 -0.101 20 0 CBADRP C[NH+](C)CCNC(=O)/C=C/C=C/C(=O)NCC[NH+](C)C ZINC000492316888 230332291 /nfs/dbraw/zinc/33/22/91/230332291.db2.gz CRNCNPCTJBCKOM-KQQUZDAGSA-N 2 0 282.388 -0.546 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000659623037 420438448 /nfs/dbraw/zinc/43/84/48/420438448.db2.gz ZWXHOPCSYKRXFE-DGCLKSJQSA-N 2 0 274.409 -0.028 20 0 CBADRP C[C@@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H](C)C[NH2+]1 ZINC000659628883 420438485 /nfs/dbraw/zinc/43/84/85/420438485.db2.gz LMISNABNJHAHKT-BDAKNGLRSA-N 2 0 294.359 -0.467 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000659619629 420438854 /nfs/dbraw/zinc/43/88/54/420438854.db2.gz QDHWXUGJJFEQOP-VXGBXAGGSA-N 2 0 271.409 -0.356 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000682615069 545059082 /nfs/dbraw/zinc/05/90/82/545059082.db2.gz YNZQTRRPAROCHG-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000659642073 420442680 /nfs/dbraw/zinc/44/26/80/420442680.db2.gz JCANQHDGGBWKRW-RYUDHWBXSA-N 2 0 272.393 -0.260 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000566194220 420443994 /nfs/dbraw/zinc/44/39/94/420443994.db2.gz WQIXYVGFTPKCDF-QWRGUYRKSA-N 2 0 265.361 0.381 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659674201 420446664 /nfs/dbraw/zinc/44/66/64/420446664.db2.gz DASXFZABMDGNRL-BZUNDVKYSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000659674275 420446669 /nfs/dbraw/zinc/44/66/69/420446669.db2.gz RMTQMRGCHJFWAY-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000659674752 420446686 /nfs/dbraw/zinc/44/66/86/420446686.db2.gz VOZMXRZMQYMEME-LLVKDONJSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659680795 420447850 /nfs/dbraw/zinc/44/78/50/420447850.db2.gz LGUSZYKCAFWJGZ-AVGNSLFASA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000659681261 420447890 /nfs/dbraw/zinc/44/78/90/420447890.db2.gz SCRZXPOPZZNZOZ-RWMBFGLXSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000659681363 420448094 /nfs/dbraw/zinc/44/80/94/420448094.db2.gz GVXVEPRNCOBZOH-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000659684210 420448323 /nfs/dbraw/zinc/44/83/23/420448323.db2.gz CAIOUYVKELBBMC-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000659685243 420448727 /nfs/dbraw/zinc/44/87/27/420448727.db2.gz PMOPDCAOTWIHBN-UHFFFAOYSA-N 2 0 270.377 -0.608 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000659688923 420449578 /nfs/dbraw/zinc/44/95/78/420449578.db2.gz OJKWJEYCIVFPNO-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)CC2(C[NH3+])CC2)n1 ZINC000569101236 420450453 /nfs/dbraw/zinc/45/04/53/420450453.db2.gz CUBKYSVPRYXGRW-UHFFFAOYSA-N 2 0 265.361 0.512 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000659697268 420450843 /nfs/dbraw/zinc/45/08/43/420450843.db2.gz WCSYNWSGZSWELU-WDEREUQCSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659693869 420450918 /nfs/dbraw/zinc/45/09/18/420450918.db2.gz CIXVRSNGCIIINA-JQWIXIFHSA-N 2 0 296.415 -0.219 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000659697265 420451350 /nfs/dbraw/zinc/45/13/50/420451350.db2.gz WCSYNWSGZSWELU-GHMZBOCLSA-N 2 0 284.404 -0.443 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000659701823 420451699 /nfs/dbraw/zinc/45/16/99/420451699.db2.gz JUPGWOXHVVEIAE-WDEREUQCSA-N 2 0 282.388 -0.523 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000659700635 420451955 /nfs/dbraw/zinc/45/19/55/420451955.db2.gz PQNGNXMESLWRGM-PNESKVBLSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)[N@H+](C)C1CC1 ZINC000659701929 420452565 /nfs/dbraw/zinc/45/25/65/420452565.db2.gz KIKPGYBZHCNGJZ-LLVKDONJSA-N 2 0 296.415 -0.027 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000659706295 420452788 /nfs/dbraw/zinc/45/27/88/420452788.db2.gz KRSCXAWXWYLFDL-DGCLKSJQSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000659706294 420452834 /nfs/dbraw/zinc/45/28/34/420452834.db2.gz KRSCXAWXWYLFDL-AAEUAGOBSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[N@H+](C)C1CC1 ZINC000659702889 420452893 /nfs/dbraw/zinc/45/28/93/420452893.db2.gz SJCJIFGXHTZGHO-RWWNRMGGSA-N 2 0 294.399 -0.465 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659706300 420453125 /nfs/dbraw/zinc/45/31/25/420453125.db2.gz KTVAYGDSRDYJDM-JTQLQIEISA-N 2 0 258.366 -0.832 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000659708223 420453674 /nfs/dbraw/zinc/45/36/74/420453674.db2.gz PYDWPSJYBLWANE-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000659708221 420454232 /nfs/dbraw/zinc/45/42/32/420454232.db2.gz PYDWPSJYBLWANE-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000659711330 420455181 /nfs/dbraw/zinc/45/51/81/420455181.db2.gz ZQEIFNFGFHFDNQ-QJPTWQEYSA-N 2 0 282.388 -0.547 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000659715015 420456986 /nfs/dbraw/zinc/45/69/86/420456986.db2.gz ZVIXWMZTNCEZNZ-GFCCVEGCSA-N 2 0 282.388 -0.545 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000659718360 420457722 /nfs/dbraw/zinc/45/77/22/420457722.db2.gz PRVREBXYMASPTD-VXGBXAGGSA-N 2 0 282.388 -0.560 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000659718024 420457928 /nfs/dbraw/zinc/45/79/28/420457928.db2.gz LKECKIRAJIJQLN-RYUDHWBXSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659716262 420458111 /nfs/dbraw/zinc/45/81/11/420458111.db2.gz VVHACMRSBFGWAL-RYUDHWBXSA-N 2 0 296.415 -0.027 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000659725436 420459891 /nfs/dbraw/zinc/45/98/91/420459891.db2.gz XAPMPGKYEQSSHE-LLVKDONJSA-N 2 0 296.415 -0.027 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000659726289 420460256 /nfs/dbraw/zinc/46/02/56/420460256.db2.gz IXKCTUYCXQEEAO-YNEHKIRRSA-N 2 0 294.399 -0.402 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000659726259 420460471 /nfs/dbraw/zinc/46/04/71/420460471.db2.gz IQABSBFBGSKMLD-XQQFMLRXSA-N 2 0 296.415 -0.156 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659738963 420462930 /nfs/dbraw/zinc/46/29/30/420462930.db2.gz BNBXDLIRBXREPB-IQLKVPPVSA-N 2 0 280.372 -0.935 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659736392 420462960 /nfs/dbraw/zinc/46/29/60/420462960.db2.gz ZYMNWJADZCKYMJ-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659736394 420463149 /nfs/dbraw/zinc/46/31/49/420463149.db2.gz ZYMNWJADZCKYMJ-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000659738862 420463770 /nfs/dbraw/zinc/46/37/70/420463770.db2.gz JGSBJANWGPKUDG-SWLSCSKDSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000659739382 420464152 /nfs/dbraw/zinc/46/41/52/420464152.db2.gz SGCJDVWXSQFTCS-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC000659739255 420464279 /nfs/dbraw/zinc/46/42/79/420464279.db2.gz PEASEHIVTXDEFC-XQQFMLRXSA-N 2 0 296.415 -0.204 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659743236 420464463 /nfs/dbraw/zinc/46/44/63/420464463.db2.gz YNJLIFGVDZTQLZ-UHFFFAOYSA-N 2 0 294.399 -0.591 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000659739381 420464479 /nfs/dbraw/zinc/46/44/79/420464479.db2.gz SGCJDVWXSQFTCS-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC000659739253 420464536 /nfs/dbraw/zinc/46/45/36/420464536.db2.gz PEASEHIVTXDEFC-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)C1 ZINC000659739300 420465325 /nfs/dbraw/zinc/46/53/25/420465325.db2.gz QLBPHKAIAZTFRO-AVGNSLFASA-N 2 0 296.415 -0.217 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659749016 420465774 /nfs/dbraw/zinc/46/57/74/420465774.db2.gz DIPBMIPXMAWUCD-XQQFMLRXSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659750077 420467107 /nfs/dbraw/zinc/46/71/07/420467107.db2.gz MKLRGLRVHNAHRO-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC000591450825 420479705 /nfs/dbraw/zinc/47/97/05/420479705.db2.gz UPFQPINBSGJZIB-NSHDSACASA-N 2 0 265.361 0.335 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000517739527 260001193 /nfs/dbraw/zinc/00/11/93/260001193.db2.gz RGKHTMPLYHRLNJ-UHFFFAOYSA-N 2 0 268.365 -0.255 20 0 CBADRP CNC(=O)CCCC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000517936965 260321218 /nfs/dbraw/zinc/32/12/18/260321218.db2.gz FLFQYMOYTYUWIQ-SNVBAGLBSA-N 2 0 256.350 -0.996 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000517938222 260321675 /nfs/dbraw/zinc/32/16/75/260321675.db2.gz BMSFDHCRJCHSKW-QWRGUYRKSA-N 2 0 269.345 -0.380 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc(C[NH3+])cc1 ZINC000518532114 260449186 /nfs/dbraw/zinc/44/91/86/260449186.db2.gz WGBFZZDITIQGPC-ZDUSSCGKSA-N 2 0 262.357 -0.221 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000517028475 261708404 /nfs/dbraw/zinc/70/84/04/261708404.db2.gz GSUZKPKXFACVPH-QWHCGFSZSA-N 2 0 266.389 -0.365 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000517373249 269598066 /nfs/dbraw/zinc/59/80/66/269598066.db2.gz QCGUHYMMZKWKJJ-VWYCJHECSA-N 2 0 271.361 -0.099 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000521994257 269605252 /nfs/dbraw/zinc/60/52/52/269605252.db2.gz YXYWCOGWSHQMFZ-QJPTWQEYSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@H](CCCC[NH3+])NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000522000232 269605798 /nfs/dbraw/zinc/60/57/98/269605798.db2.gz MTLJIEPMFLRGFL-NEPJUHHUSA-N 2 0 284.404 -0.122 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529386331 269633961 /nfs/dbraw/zinc/63/39/61/269633961.db2.gz IFDSPRGATQLJGW-TUAOUCFPSA-N 2 0 270.377 -0.256 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000514616223 287715945 /nfs/dbraw/zinc/71/59/45/287715945.db2.gz MTLVFVOKNUCJID-ZDCRXTMVSA-N 2 0 268.361 -0.870 20 0 CBADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000423779443 276032090 /nfs/dbraw/zinc/03/20/90/276032090.db2.gz UZPVDVJJEBHLFV-NEPJUHHUSA-N 2 0 255.362 -0.227 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351533806 276074097 /nfs/dbraw/zinc/07/40/97/276074097.db2.gz IZLNIPIQYBTBHM-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)C/C=C/C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000376622879 276750999 /nfs/dbraw/zinc/75/09/99/276750999.db2.gz XYQUNMPVGFPZSE-FYJFLYSWSA-N 2 0 255.362 -0.107 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419701258 277024139 /nfs/dbraw/zinc/02/41/39/277024139.db2.gz ZABLFLLYBJYWFJ-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262300695 277035335 /nfs/dbraw/zinc/03/53/35/277035335.db2.gz XJFDWYXBOVRIDW-LBPRGKRZSA-N 2 0 275.418 0.000 20 0 CBADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)C[NH2+]CC3CC3)[C@@H]2C1 ZINC000423934976 277150711 /nfs/dbraw/zinc/15/07/11/277150711.db2.gz XPSBTRBVGIQYEF-OLZOCXBDSA-N 2 0 267.373 -0.083 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C2CC2)C1 ZINC000427472897 277158498 /nfs/dbraw/zinc/15/84/98/277158498.db2.gz SUJGKOZEPBYRLN-GXTWGEPZSA-N 2 0 267.373 -0.204 20 0 CBADRP COC[C@@H]([NH3+])C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000375952129 277247023 /nfs/dbraw/zinc/24/70/23/277247023.db2.gz AMCLJVJZZWFHNV-CHWSQXEVSA-N 2 0 263.341 -0.037 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000418362985 277282010 /nfs/dbraw/zinc/28/20/10/277282010.db2.gz BQBSKUGAAORVBK-STQMWFEESA-N 2 0 286.420 -0.012 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000419432159 277300624 /nfs/dbraw/zinc/30/06/24/277300624.db2.gz XVSRSKATOVQIOP-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000419411509 277300649 /nfs/dbraw/zinc/30/06/49/277300649.db2.gz PWQFNLNLEIKKGS-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000342753071 277319938 /nfs/dbraw/zinc/31/99/38/277319938.db2.gz PBGMFXZGLAUFOG-UWVGGRQHSA-N 2 0 257.334 -0.523 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000423340872 277328792 /nfs/dbraw/zinc/32/87/92/277328792.db2.gz XURHBBIKPGUQRJ-MNOVXSKESA-N 2 0 273.377 -0.031 20 0 CBADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000449698934 277836692 /nfs/dbraw/zinc/83/66/92/277836692.db2.gz OXCIPSNCACQNJA-AGIUHOORSA-N 2 0 268.405 -0.360 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCC[N@@H+]1C ZINC000419566032 278083701 /nfs/dbraw/zinc/08/37/01/278083701.db2.gz ZMPXEBOAGQBGNR-AGIUHOORSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H]1CCCN(CCC(=O)N2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC000262103818 278341595 /nfs/dbraw/zinc/34/15/95/278341595.db2.gz MERKJTWECDXILX-STQMWFEESA-N 2 0 268.405 -0.133 20 0 CBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419959311 278365463 /nfs/dbraw/zinc/36/54/63/278365463.db2.gz XDTMDKWZAITTAA-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CCCN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000351519316 278743995 /nfs/dbraw/zinc/74/39/95/278743995.db2.gz DZNCQYULULBMNY-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000342594530 288087336 /nfs/dbraw/zinc/08/73/36/288087336.db2.gz ZPVNOQGDKZOKNA-UPJWGTAASA-N 2 0 268.405 -0.454 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420087653 279096817 /nfs/dbraw/zinc/09/68/17/279096817.db2.gz GGQPMJISLIGEBJ-UHFFFAOYSA-N 2 0 284.404 -0.168 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000418919861 279126351 /nfs/dbraw/zinc/12/63/51/279126351.db2.gz BBLLPMSWBJFFPA-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000217721329 279130648 /nfs/dbraw/zinc/13/06/48/279130648.db2.gz VHMRMAVFDGKQLB-UTUOFQBUSA-N 2 0 257.378 -0.198 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000423060939 279148131 /nfs/dbraw/zinc/14/81/31/279148131.db2.gz PWPTWFKITMWHBO-QWHCGFSZSA-N 2 0 296.415 -0.121 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419778557 279155418 /nfs/dbraw/zinc/15/54/18/279155418.db2.gz LMIZHRJFGSDEIR-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]([NH3+])CC(=O)OC)C1 ZINC000423311043 279167859 /nfs/dbraw/zinc/16/78/59/279167859.db2.gz BETLYCQXYRZAEJ-QWRGUYRKSA-N 2 0 271.361 -0.181 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000343616053 279176051 /nfs/dbraw/zinc/17/60/51/279176051.db2.gz KAOAVXFIXFXDME-OLZOCXBDSA-N 2 0 268.405 -0.134 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCC(C)(C)[NH3+])C(C)C ZINC000420065188 279190815 /nfs/dbraw/zinc/19/08/15/279190815.db2.gz XFVGQUAMXYSYNO-UHFFFAOYSA-N 2 0 272.393 -0.314 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H](C)C[NH2+]C)C1CC1 ZINC000419529390 279191247 /nfs/dbraw/zinc/19/12/47/279191247.db2.gz XNARMHLGNZRBQG-LLVKDONJSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419586306 279268349 /nfs/dbraw/zinc/26/83/49/279268349.db2.gz MTCCJHYHFBRRMK-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351522900 279297201 /nfs/dbraw/zinc/29/72/01/279297201.db2.gz MMIPCGXYWPYNTL-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419019486 279310414 /nfs/dbraw/zinc/31/04/14/279310414.db2.gz DQHXIFPXDJSODL-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000423438370 279357744 /nfs/dbraw/zinc/35/77/44/279357744.db2.gz UYCJGPTUWSFYAS-ZDUSSCGKSA-N 2 0 282.432 -0.014 20 0 CBADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418202456 279380383 /nfs/dbraw/zinc/38/03/83/279380383.db2.gz UGZAKOCVHLNFCU-QWHCGFSZSA-N 2 0 285.436 -0.082 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420111905 279428856 /nfs/dbraw/zinc/42/88/56/279428856.db2.gz CZXSLEMTHOKTSB-UHFFFAOYSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000420124932 279429303 /nfs/dbraw/zinc/42/93/03/279429303.db2.gz SIWKCZYDTUFKTK-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418758769 279429969 /nfs/dbraw/zinc/42/99/69/279429969.db2.gz IRRRSTQQBGKXFQ-ZDUSSCGKSA-N 2 0 285.436 -0.128 20 0 CBADRP [NH3+]CC(=O)NCC(=O)NCCC[NH+]1CCCCCC1 ZINC000262354642 279621606 /nfs/dbraw/zinc/62/16/06/279621606.db2.gz FRCTTZNVIZWBGC-UHFFFAOYSA-N 2 0 270.377 -0.556 20 0 CBADRP C[C@H]1C[C@H](NC(=O)[C@H]2C[NH2+]CCO2)C[N@@H+]1C1CC1 ZINC000188272299 280006038 /nfs/dbraw/zinc/00/60/38/280006038.db2.gz NQPLSGXMZDNHIN-JBLDHEPKSA-N 2 0 253.346 -0.284 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351558007 280097720 /nfs/dbraw/zinc/09/77/20/280097720.db2.gz RFLSHULCVOGXRE-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062972979 280103666 /nfs/dbraw/zinc/10/36/66/280103666.db2.gz MSLRVNJDZOLILF-NEPJUHHUSA-N 2 0 253.346 -0.329 20 0 CBADRP CC(C)[C@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[NH+](C)C ZINC000132010199 280147824 /nfs/dbraw/zinc/14/78/24/280147824.db2.gz QGALBYQVCLRGAK-QWHCGFSZSA-N 2 0 298.431 -0.114 20 0 CBADRP CC(C)[C@H](CNC(=O)[C@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000040770462 280251132 /nfs/dbraw/zinc/25/11/32/280251132.db2.gz GKNDJSKGRRQDLR-RYUDHWBXSA-N 2 0 256.394 -0.278 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000262210384 280273824 /nfs/dbraw/zinc/27/38/24/280273824.db2.gz SYWDEELWKYJZMW-WZRBSPASSA-N 2 0 284.404 -0.328 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000126410226 280273867 /nfs/dbraw/zinc/27/38/67/280273867.db2.gz NRVRLNFGLPHSTO-YPMHNXCESA-N 2 0 284.404 -0.362 20 0 CBADRP CC[C@@H]1CN(C(=O)C2(C)C[NH2+]C2)CC[N@@H+]1C[C@H](C)O ZINC000423379207 280345575 /nfs/dbraw/zinc/34/55/75/280345575.db2.gz GKYXGWSYDBLUJA-NWDGAFQWSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)CC[N@@H+]1C[C@H](C)O ZINC000349008835 280348651 /nfs/dbraw/zinc/34/86/51/280348651.db2.gz WTOQIFOCFNMWGY-QWHCGFSZSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000332234096 288300262 /nfs/dbraw/zinc/30/02/62/288300262.db2.gz NAOXMLQFHYXYFQ-IJLUTSLNSA-N 2 0 280.372 -0.759 20 0 CBADRP CC[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CC[N@@H+]1C[C@H](C)O ZINC000446365580 281141907 /nfs/dbraw/zinc/14/19/07/281141907.db2.gz ZQDIGYUFGXQDJA-AVGNSLFASA-N 2 0 285.388 -0.722 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424165551 288322848 /nfs/dbraw/zinc/32/28/48/288322848.db2.gz YRNFUTJWUPBQFV-WOPDTQHZSA-N 2 0 292.387 -0.070 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000262324666 282050871 /nfs/dbraw/zinc/05/08/71/282050871.db2.gz FUHCWPFBJIKFFT-CYBMUJFWSA-N 2 0 298.431 -0.493 20 0 CBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC000330424182 282058978 /nfs/dbraw/zinc/05/89/78/282058978.db2.gz ILUDKSFINHUZLB-HAQNSBGRSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000333830324 289036970 /nfs/dbraw/zinc/03/69/70/289036970.db2.gz MLSIMJOHJKOLAE-JHJVBQTASA-N 2 0 284.404 -0.165 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NCC2([NH3+])CCC2)CCC1 ZINC000419244620 289043175 /nfs/dbraw/zinc/04/31/75/289043175.db2.gz UQJRZWYLUJBCGR-UHFFFAOYSA-N 2 0 282.388 -0.416 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000419242828 289043589 /nfs/dbraw/zinc/04/35/89/289043589.db2.gz RQXBNLBUNASTJD-NEPJUHHUSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@@H]1[C@H](NC(=O)NCCN2CC[NH2+]CC2)CCC[N@@H+]1C ZINC000418003872 289055200 /nfs/dbraw/zinc/05/52/00/289055200.db2.gz NLZLGGOJOBLHDO-CHWSQXEVSA-N 2 0 283.420 -0.327 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000410734412 289126763 /nfs/dbraw/zinc/12/67/63/289126763.db2.gz YKMODOLDQURGNY-OLZOCXBDSA-N 2 0 296.415 -0.299 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420089926 289126972 /nfs/dbraw/zinc/12/69/72/289126972.db2.gz SSXLMJXZPKJEEQ-LBPRGKRZSA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC[C@H]2CCC[NH2+]2)CC1=O ZINC000444257109 289157302 /nfs/dbraw/zinc/15/73/02/289157302.db2.gz BNEAXVJKQFBUMF-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000419895603 289290493 /nfs/dbraw/zinc/29/04/93/289290493.db2.gz MPHBQKXFKPPXJH-RWMBFGLXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000418665857 289293007 /nfs/dbraw/zinc/29/30/07/289293007.db2.gz DAOCPRQVYXSAPN-WYUUTHIRSA-N 2 0 252.362 -0.060 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000419136750 289304173 /nfs/dbraw/zinc/30/41/73/289304173.db2.gz OAQVQAZRJZXJQB-YNEHKIRRSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000339634254 289367907 /nfs/dbraw/zinc/36/79/07/289367907.db2.gz POHRUELMWOZLSC-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351561542 289369353 /nfs/dbraw/zinc/36/93/53/289369353.db2.gz YYHOWTPRTBOOPE-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000419135281 289376843 /nfs/dbraw/zinc/37/68/43/289376843.db2.gz KWIISFJPQXWOHU-QWRGUYRKSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H](CC(N)=O)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000346083392 289442095 /nfs/dbraw/zinc/44/20/95/289442095.db2.gz PLZMZXZXMLCFHF-NWDGAFQWSA-N 2 0 256.394 -0.277 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000419945094 289530765 /nfs/dbraw/zinc/53/07/65/289530765.db2.gz BZSJHJUEVXJNMT-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000420028342 289544177 /nfs/dbraw/zinc/54/41/77/289544177.db2.gz MGHZUXLWPIBHNR-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](O)C(=O)N1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414705403 290066122 /nfs/dbraw/zinc/06/61/22/290066122.db2.gz LOOHFWGXKNZPSL-AGIUHOORSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2COC[C@@H]2O)CC1 ZINC000361293836 290084841 /nfs/dbraw/zinc/08/48/41/290084841.db2.gz AQLJPSWFSMFTMK-YUTCNCBUSA-N 2 0 272.389 -0.229 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC[NH2+]C1 ZINC000516286394 293268141 /nfs/dbraw/zinc/26/81/41/293268141.db2.gz OLBWRSMKDVZMEV-OBJOEFQTSA-N 2 0 267.373 -0.177 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C2([NH3+])CCCC2)C1 ZINC000430895091 295107791 /nfs/dbraw/zinc/10/77/91/295107791.db2.gz RZNLDJIHJPAKLN-GFCCVEGCSA-N 2 0 296.415 -0.039 20 0 CBADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000331367811 295244620 /nfs/dbraw/zinc/24/46/20/295244620.db2.gz BQHWIDZUYWIBFL-YPMHNXCESA-N 2 0 294.399 -0.321 20 0 CBADRP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000331682988 295252152 /nfs/dbraw/zinc/25/21/52/295252152.db2.gz UJIWPUCHGMWWNV-RWMBFGLXSA-N 2 0 294.399 -0.321 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C[C@H]3COCC[NH2+]3)C[C@@H]21 ZINC000375835557 295308072 /nfs/dbraw/zinc/30/80/72/295308072.db2.gz WLUWURDXUGMRRS-MROQNXINSA-N 2 0 267.373 -0.049 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000419736163 295317547 /nfs/dbraw/zinc/31/75/47/295317547.db2.gz RMIMVEHMPKNEFM-DGCLKSJQSA-N 2 0 294.399 -0.321 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000424279906 295318877 /nfs/dbraw/zinc/31/88/77/295318877.db2.gz HMNZTWKJIXHLAP-NEPJUHHUSA-N 2 0 253.346 -0.439 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000419736162 295339308 /nfs/dbraw/zinc/33/93/08/295339308.db2.gz RMIMVEHMPKNEFM-AAEUAGOBSA-N 2 0 294.399 -0.321 20 0 CBADRP O=C(C1C[NH2+]C1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000367810100 295454808 /nfs/dbraw/zinc/45/48/08/295454808.db2.gz MWTDJVHSKNSTOQ-VXGBXAGGSA-N 2 0 253.346 -0.737 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000430792068 295537632 /nfs/dbraw/zinc/53/76/32/295537632.db2.gz GRPNWRQZACWQSI-ZIAGYGMSSA-N 2 0 297.399 -0.454 20 0 CBADRP C[C@](C[NH3+])(NCC(=O)NC[C@@H]1CCCO1)C1CC1 ZINC000576280308 335181929 /nfs/dbraw/zinc/18/19/29/335181929.db2.gz IVRIIVWUVJDILQ-WCQYABFASA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](C[NH3+])C2)C[N@@H+]1C1CC1 ZINC000333294651 297274953 /nfs/dbraw/zinc/27/49/53/297274953.db2.gz IDSAWHMVLODELS-NQBHXWOUSA-N 2 0 282.388 -0.019 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000362388240 300224024 /nfs/dbraw/zinc/22/40/24/300224024.db2.gz FVBXYCUYRCTSFR-UONOGXRCSA-N 2 0 282.432 -0.110 20 0 CBADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH3+] ZINC000418346898 300244938 /nfs/dbraw/zinc/24/49/38/300244938.db2.gz IELDPYNQPYAAOT-NSHDSACASA-N 2 0 272.393 -0.178 20 0 CBADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCN1CC[NH2+]CC1 ZINC000333870190 300313464 /nfs/dbraw/zinc/31/34/64/300313464.db2.gz UNIZXWZSXYSMCN-UONOGXRCSA-N 2 0 295.431 -0.230 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000368008207 300571065 /nfs/dbraw/zinc/57/10/65/300571065.db2.gz SXRFLDPJXCTAOD-JHJVBQTASA-N 2 0 296.415 -0.312 20 0 CBADRP [NH3+]C1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCCC1 ZINC000368559982 303354259 /nfs/dbraw/zinc/35/42/59/303354259.db2.gz AMGWPCWIIPYLLD-GFCCVEGCSA-N 2 0 266.389 -0.236 20 0 CBADRP [NH3+]CCCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000418310235 303378930 /nfs/dbraw/zinc/37/89/30/303378930.db2.gz JMTNVQAOODIUOS-UHFFFAOYSA-N 2 0 299.419 -0.373 20 0 CBADRP [NH3+]CCNC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000419841924 303381672 /nfs/dbraw/zinc/38/16/72/303381672.db2.gz VCGUIAHSHNLMPF-GFCCVEGCSA-N 2 0 282.388 -0.462 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CCO1 ZINC000418420426 303412037 /nfs/dbraw/zinc/41/20/37/303412037.db2.gz ZEFMRECUUVCWDZ-UTUOFQBUSA-N 2 0 270.377 -0.127 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CCO1 ZINC000369163666 303430251 /nfs/dbraw/zinc/43/02/51/303430251.db2.gz CXDLASWOFRDZRC-NTZNESFSSA-N 2 0 253.346 -0.438 20 0 CBADRP O=C(N[C@H]1CCCC[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333664261 303949958 /nfs/dbraw/zinc/94/99/58/303949958.db2.gz MBYCRUTWULIOIB-KBPBESRZSA-N 2 0 295.431 -0.182 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000570795553 327619785 /nfs/dbraw/zinc/61/97/85/327619785.db2.gz XQRJZJJKKANTGM-IGQOVBAYSA-N 2 0 253.390 -0.017 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1=O ZINC000570805009 327620536 /nfs/dbraw/zinc/62/05/36/327620536.db2.gz JAIHXVRPLLHYPI-UPJWGTAASA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000570943076 327682829 /nfs/dbraw/zinc/68/28/29/327682829.db2.gz PMUXSSOPJIEQPG-VXGBXAGGSA-N 3 0 273.425 -0.143 20 0 CBADRP CC(C)[C@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000580093266 327696591 /nfs/dbraw/zinc/69/65/91/327696591.db2.gz APJVBIKXTRQGIG-SDDRHHMPSA-N 2 0 257.378 -0.294 20 0 CBADRP O=C(CCN1CC[NH2+]C[C@@H]1C(F)F)N1CC[NH2+]CC1 ZINC000575312509 335092606 /nfs/dbraw/zinc/09/26/06/335092606.db2.gz UXAHZVHFKMYPTN-SNVBAGLBSA-N 2 0 276.331 -0.653 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000575312648 335092571 /nfs/dbraw/zinc/09/25/71/335092571.db2.gz ZNNAMJBHZXFCNW-IUCAKERBSA-N 2 0 254.334 -0.701 20 0 CBADRP C[C@@H]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)C[C@@H]1C[NH3+] ZINC000563116867 327926097 /nfs/dbraw/zinc/92/60/97/327926097.db2.gz OCGSPMKKASSAMZ-WOPDTQHZSA-N 2 0 255.362 -0.192 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000563115780 327926226 /nfs/dbraw/zinc/92/62/26/327926226.db2.gz MUGCYFRMIXRUFB-TZMCWYRMSA-N 2 0 275.352 -0.022 20 0 CBADRP [NH3+]C1(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000563146745 327930071 /nfs/dbraw/zinc/93/00/71/327930071.db2.gz QTQNNIJZNVBMDF-LLVKDONJSA-N 2 0 280.372 -0.852 20 0 CBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000563156669 327932104 /nfs/dbraw/zinc/93/21/04/327932104.db2.gz IIOLEQUWKCMOLF-SMDDNHRTSA-N 2 0 284.404 -0.266 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NC2(C[NH3+])CCCC2)nn1 ZINC000567902297 327945260 /nfs/dbraw/zinc/94/52/60/327945260.db2.gz LNAIQFFHRKBEDU-UHFFFAOYSA-N 2 0 266.349 -0.372 20 0 CBADRP C[NH+]1CCC(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000571041245 327980425 /nfs/dbraw/zinc/98/04/25/327980425.db2.gz CNRWQRPWISDZLX-GFCCVEGCSA-N 2 0 292.387 -0.146 20 0 CBADRP CCC(CC)(C[NH3+])NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000583694283 329004622 /nfs/dbraw/zinc/00/46/22/329004622.db2.gz NMTQNLYUWVSYPA-SNVBAGLBSA-N 2 0 270.377 -0.512 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000571047203 327984998 /nfs/dbraw/zinc/98/49/98/327984998.db2.gz ZDSHCJMICAUCCT-LBPRGKRZSA-N 2 0 254.378 -0.652 20 0 CBADRP CC[NH+]1CCN(CC(=O)N(C)[C@@H](C[NH3+])C2CC2)CC1 ZINC000571050126 327986169 /nfs/dbraw/zinc/98/61/69/327986169.db2.gz NRJSVDMLPBKCGR-ZDUSSCGKSA-N 2 0 268.405 -0.180 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000563271474 328005513 /nfs/dbraw/zinc/00/55/13/328005513.db2.gz TUFUIRZAVGHAOR-DZGCQCFKSA-N 3 0 287.448 -0.019 20 0 CBADRP COCCN1C(=O)C[C@@H](NC[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000563348699 328056484 /nfs/dbraw/zinc/05/64/84/328056484.db2.gz MNGYZIPDCCVTEL-NWDGAFQWSA-N 2 0 283.372 -0.308 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000563451718 328066309 /nfs/dbraw/zinc/06/63/09/328066309.db2.gz MJTUVLCYPWNMCO-NOOOWODRSA-N 2 0 295.387 -0.933 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C3([NH2+]C4CC4)CCC3)CCN2C1=O ZINC000563441539 328066377 /nfs/dbraw/zinc/06/63/77/328066377.db2.gz MBYBDMFSBXQIAE-VXGBXAGGSA-N 2 0 292.383 -0.569 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000563455789 328067729 /nfs/dbraw/zinc/06/77/29/328067729.db2.gz PWJTYKYTJYMLHL-NSHDSACASA-N 2 0 258.366 -0.432 20 0 CBADRP COC[C@@]1(C(=O)N2CCC(C[NH3+])CC2)CC[NH2+]C1 ZINC000567383753 328068386 /nfs/dbraw/zinc/06/83/86/328068386.db2.gz YLSIPUZXLOHMSR-CYBMUJFWSA-N 2 0 255.362 -0.190 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000563584134 328074753 /nfs/dbraw/zinc/07/47/53/328074753.db2.gz KMQFOYAZZMRZEQ-CYBMUJFWSA-N 2 0 282.388 -0.074 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000563588259 328075260 /nfs/dbraw/zinc/07/52/60/328075260.db2.gz UTTMVIAMTFKFFL-HUUCEWRRSA-N 2 0 290.411 -0.034 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000563597505 328076098 /nfs/dbraw/zinc/07/60/98/328076098.db2.gz XSKWOPKYIXYZCX-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000563639900 328079642 /nfs/dbraw/zinc/07/96/42/328079642.db2.gz LFOMYGDLSMCVNX-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000571164676 328089889 /nfs/dbraw/zinc/08/98/89/328089889.db2.gz VDJQRNYSRZRGHN-ZFWWWQNUSA-N 2 0 297.399 -0.280 20 0 CBADRP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@H](C)CN1C ZINC000571209024 328093318 /nfs/dbraw/zinc/09/33/18/328093318.db2.gz HTVSZISEYMXIRP-CHWSQXEVSA-N 2 0 268.405 -0.167 20 0 CBADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000571325270 328105917 /nfs/dbraw/zinc/10/59/17/328105917.db2.gz PCRCDFVKUKXRDV-KGLIPLIRSA-N 2 0 299.415 -0.116 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000571336077 328111457 /nfs/dbraw/zinc/11/14/57/328111457.db2.gz IYJLJFYLSJEDRO-CYBMUJFWSA-N 2 0 283.420 -0.340 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000571423369 328120862 /nfs/dbraw/zinc/12/08/62/328120862.db2.gz QFPOLLRBLZFSRG-STQMWFEESA-N 2 0 294.399 -0.449 20 0 CBADRP C[C@@H](CNC(=O)C[C@@H]1COCC[NH2+]1)[NH+]1CCCC1 ZINC000161074416 328125405 /nfs/dbraw/zinc/12/54/05/328125405.db2.gz BHNCRHMXEBFDKB-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H](CNC(=O)C[C@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000161095328 328129394 /nfs/dbraw/zinc/12/93/94/328129394.db2.gz DJWGYCOGJSOVGO-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH2+]CC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000582545803 329105264 /nfs/dbraw/zinc/10/52/64/329105264.db2.gz IMUCFHJUMSKTMN-DGCLKSJQSA-N 2 0 255.362 -0.049 20 0 CBADRP COC[C@@H](O)C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000571634282 328151036 /nfs/dbraw/zinc/15/10/36/328151036.db2.gz MGMIMWBVHQNBSI-AWEZNQCLSA-N 2 0 294.399 -0.070 20 0 CBADRP [NH3+]CC[C@@H]1CCCCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000571642787 328180210 /nfs/dbraw/zinc/18/02/10/328180210.db2.gz HTPYAEYRIRIDGK-QWHCGFSZSA-N 2 0 296.415 -0.025 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)nn1 ZINC000563804944 328519784 /nfs/dbraw/zinc/51/97/84/328519784.db2.gz COMCOTNCYAUMBQ-WDEREUQCSA-N 2 0 280.376 -0.126 20 0 CBADRP C[NH2+]CCC(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC000583991967 326832227 /nfs/dbraw/zinc/83/22/27/326832227.db2.gz ISGJPPQJAREBMR-UHFFFAOYSA-N 2 0 285.388 -0.013 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000568262899 326986300 /nfs/dbraw/zinc/98/63/00/326986300.db2.gz BIYZSDTZQMGFOA-SWLSCSKDSA-N 2 0 294.399 -0.543 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)[N@@H+]1CCC[C@H](C)C1 ZINC000557297413 327000852 /nfs/dbraw/zinc/00/08/52/327000852.db2.gz JYDPISBQVKBBOT-WDEREUQCSA-N 2 0 282.388 -0.689 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000557310416 327001354 /nfs/dbraw/zinc/00/13/54/327001354.db2.gz DFGHRGAOWWRLDJ-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N1CCN(CC)CC1 ZINC000557310474 327001385 /nfs/dbraw/zinc/00/13/85/327001385.db2.gz LPLPXCPOKCMXRO-UHFFFAOYSA-N 2 0 270.377 -0.734 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1cnn(C)c1 ZINC000568878729 327022302 /nfs/dbraw/zinc/02/23/02/327022302.db2.gz ZRNVGCZMHSYZSA-DRZSPHRISA-N 2 0 277.372 -0.109 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)c1cnn(C)c1 ZINC000568878731 327022352 /nfs/dbraw/zinc/02/23/52/327022352.db2.gz ZRNVGCZMHSYZSA-UHTWSYAYSA-N 2 0 277.372 -0.109 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N1CCC[N@H+](CC)CC1 ZINC000569336391 327029800 /nfs/dbraw/zinc/02/98/00/327029800.db2.gz FWXRRUWGLJJNCD-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000569337649 327031304 /nfs/dbraw/zinc/03/13/04/327031304.db2.gz LXXBAGHVYAZGKU-WCQYABFASA-N 2 0 253.346 -0.423 20 0 CBADRP O=C(NCC[N@@H+]1CCCOCC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000576941066 327053243 /nfs/dbraw/zinc/05/32/43/327053243.db2.gz TWGXWLBYLWCJQX-TZMCWYRMSA-N 2 0 267.373 -0.176 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](C)C[C@H](C(=O)OC)C1 ZINC000584181226 327061099 /nfs/dbraw/zinc/06/10/99/327061099.db2.gz RYPLNNOLDXLIME-STQMWFEESA-N 2 0 287.404 -0.664 20 0 CBADRP COC[C@]1(CNC(=O)[C@@H]2CC[NH2+][C@@H]2C)CCC[NH2+]1 ZINC000569240444 327071125 /nfs/dbraw/zinc/07/11/25/327071125.db2.gz TWZGQBVTXGRTJM-NQBHXWOUSA-N 2 0 255.362 -0.131 20 0 CBADRP Cn1ncc2c1C[C@H](C(=O)N1CCN(C)C[C@@H]1C[NH3+])CC2 ZINC000565891587 327080276 /nfs/dbraw/zinc/08/02/76/327080276.db2.gz SGCNNWVNDFHVPH-YPMHNXCESA-N 2 0 291.399 -0.374 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](CCO)C[C@@H]1C ZINC000584239862 327112242 /nfs/dbraw/zinc/11/22/42/327112242.db2.gz OQJCAMFIEIEHJY-QWHCGFSZSA-N 2 0 259.394 -0.703 20 0 CBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000564923258 327149580 /nfs/dbraw/zinc/14/95/80/327149580.db2.gz NJOMFUZWZDVFGV-KBPBESRZSA-N 2 0 299.415 -0.426 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)c1cn(CCC[NH3+])nn1 ZINC000569360568 327163654 /nfs/dbraw/zinc/16/36/54/327163654.db2.gz BHSBBCQJEAOJBN-NSHDSACASA-N 2 0 280.376 -0.159 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000569449093 327179032 /nfs/dbraw/zinc/17/90/32/327179032.db2.gz MWXBNVXAWNOOMQ-NQBHXWOUSA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)NC1C[NH2+]C1)C(C)(C)C ZINC000569558997 327197595 /nfs/dbraw/zinc/19/75/95/327197595.db2.gz AVGGZLNMXMSVSJ-NSHDSACASA-N 2 0 284.404 -0.443 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000584294253 327224594 /nfs/dbraw/zinc/22/45/94/327224594.db2.gz KSOHRYQZUQZQMX-MGPQQGTHSA-N 2 0 298.431 -0.637 20 0 CBADRP C[C@@H]1CN(C[C@H]2CCCN(C(=O)C[NH3+])C2)CC[NH2+]1 ZINC000566230350 327248613 /nfs/dbraw/zinc/24/86/13/327248613.db2.gz HKUHWRCKJCNLGX-VXGBXAGGSA-N 2 0 254.378 -0.523 20 0 CBADRP CCn1nncc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000559581192 327254353 /nfs/dbraw/zinc/25/43/53/327254353.db2.gz FJAVSUOFRGICJN-UHFFFAOYSA-N 2 0 282.392 -0.137 20 0 CBADRP O=C(CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC000566242154 327256257 /nfs/dbraw/zinc/25/62/57/327256257.db2.gz GHENHMDMCOJWTH-OAHLLOKOSA-N 3 0 280.416 -0.116 20 0 CBADRP CN(C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)[C@H](C[NH3+])C1CC1 ZINC000564954492 327258858 /nfs/dbraw/zinc/25/88/58/327258858.db2.gz JZKPVZLFOMJELA-DGCLKSJQSA-N 2 0 292.387 -0.161 20 0 CBADRP COCC1(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC[NH2+]CC1 ZINC000564955967 327261741 /nfs/dbraw/zinc/26/17/41/327261741.db2.gz DGXPXPZCTIAMFT-LBPRGKRZSA-N 2 0 284.404 -0.978 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000564956803 327263635 /nfs/dbraw/zinc/26/36/35/327263635.db2.gz VSWNTEXNWBPVHB-BBBLOLIVSA-N 2 0 257.334 -0.680 20 0 CBADRP C[C@@H](C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H](C)[NH3+] ZINC000577841626 327282891 /nfs/dbraw/zinc/28/28/91/327282891.db2.gz ZIIMQCLMTUSXLP-UTLUCORTSA-N 2 0 296.337 -0.078 20 0 CBADRP CNS(=O)(=O)[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000564976018 327302966 /nfs/dbraw/zinc/30/29/66/327302966.db2.gz PDFUOIWWQMJIMN-LLVKDONJSA-N 2 0 261.391 -0.391 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000583371390 327329588 /nfs/dbraw/zinc/32/95/88/327329588.db2.gz FFMYNEWWWVFIDM-AWEZNQCLSA-N 2 0 297.447 -0.077 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000564991412 327343221 /nfs/dbraw/zinc/34/32/21/327343221.db2.gz TYAKHIBADQISDY-WZRBSPASSA-N 2 0 284.404 -0.328 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000574530249 327343688 /nfs/dbraw/zinc/34/36/88/327343688.db2.gz VNBFKYYIYYLDTE-VXGBXAGGSA-N 2 0 293.433 -0.701 20 0 CBADRP C[C@@]1(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)CC[NH2+]C1 ZINC000574636202 327358879 /nfs/dbraw/zinc/35/88/79/327358879.db2.gz LMHOHHWBOJDPEA-GFCCVEGCSA-N 2 0 279.348 -0.848 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000569624356 327386071 /nfs/dbraw/zinc/38/60/71/327386071.db2.gz YIWSWVYGGYTQAS-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP CC(C)([NH3+])c1nocc1C(=O)NCCCN1CC[NH2+]CC1 ZINC000565215844 327525964 /nfs/dbraw/zinc/52/59/64/327525964.db2.gz DEHQHCBIEIUEBC-UHFFFAOYSA-N 2 0 295.387 -0.107 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000569692466 327535967 /nfs/dbraw/zinc/53/59/67/327535967.db2.gz BBPGPGIYTGDHLN-MNOVXSKESA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000569912955 327555550 /nfs/dbraw/zinc/55/55/50/327555550.db2.gz HWVRRXLCJCXACZ-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP COC[C@@]1(CNC(=O)[C@@H](C)C2C[NH2+]C2)CCC[NH2+]1 ZINC000569925856 327556151 /nfs/dbraw/zinc/55/61/51/327556151.db2.gz ADHSBQLIJQFBON-GWCFXTLKSA-N 2 0 255.362 -0.273 20 0 CBADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000570272428 327579757 /nfs/dbraw/zinc/57/97/57/327579757.db2.gz CIQVENZLTBHSDN-BMFZPTHFSA-N 2 0 296.459 -0.333 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000570515141 327596600 /nfs/dbraw/zinc/59/66/00/327596600.db2.gz HHVZQHQUUKRQKZ-WDEREUQCSA-N 2 0 271.361 -0.181 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000570517701 327597927 /nfs/dbraw/zinc/59/79/27/327597927.db2.gz NTQHRWRHEDFSAH-HBNTYKKESA-N 2 0 280.376 -0.114 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000582236398 328836651 /nfs/dbraw/zinc/83/66/51/328836651.db2.gz SKQMXKUYNQGKDH-KKJSVHSVSA-N 2 0 253.346 -0.441 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)c1ccc2c(c1)C[NH2+]C2 ZINC000582419470 328985428 /nfs/dbraw/zinc/98/54/28/328985428.db2.gz LGMNBWYYFZHNHJ-UHFFFAOYSA-N 2 0 274.368 -0.075 20 0 CBADRP C[NH2+][C@@H](C)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000583703242 329086073 /nfs/dbraw/zinc/08/60/73/329086073.db2.gz QYTYVFQPSPATND-NSHDSACASA-N 2 0 256.394 -0.264 20 0 CBADRP CN1CCN(C(=O)CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000582486212 329096625 /nfs/dbraw/zinc/09/66/25/329096625.db2.gz HSGHXSKKBOQHCO-BETUJISGSA-N 2 0 266.389 -0.698 20 0 CBADRP COCCN(C)C[C@H](O)C[NH2+][C@@H](CO)C(C)(C)C ZINC000393967021 329097885 /nfs/dbraw/zinc/09/78/85/329097885.db2.gz RGEYJLCNIBOBEM-NEPJUHHUSA-N 2 0 262.394 -0.078 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000582664517 329121286 /nfs/dbraw/zinc/12/12/86/329121286.db2.gz GPAOVROBSMXTMK-BDAKNGLRSA-N 2 0 251.334 -0.046 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000582724612 329131060 /nfs/dbraw/zinc/13/10/60/329131060.db2.gz HBUGULAAGRJNCV-NWDGAFQWSA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000394849379 329153407 /nfs/dbraw/zinc/15/34/07/329153407.db2.gz BNRKDPRVZWEITH-CMPLNLGQSA-N 2 0 254.378 -0.511 20 0 CBADRP CN1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000582894794 329282230 /nfs/dbraw/zinc/28/22/30/329282230.db2.gz POCXMSLSSWLTAH-QWRGUYRKSA-N 2 0 255.366 -0.977 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000582904215 329283955 /nfs/dbraw/zinc/28/39/55/329283955.db2.gz HENRYOANUIANQF-GARJFASQSA-N 2 0 268.361 -0.889 20 0 CBADRP CC[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)OC ZINC000582960368 329289930 /nfs/dbraw/zinc/28/99/30/329289930.db2.gz OGRNQGXPZKUTLU-CHWSQXEVSA-N 2 0 259.394 -0.391 20 0 CBADRP C[C@@H](CNC(=O)C1([NH3+])CCC1)C[NH+]1CCN(C)CC1 ZINC000582961713 329290315 /nfs/dbraw/zinc/29/03/15/329290315.db2.gz AGLUHZFKJJGPMW-LBPRGKRZSA-N 2 0 268.405 -0.133 20 0 CBADRP O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1CC[C@@H]1CC[NH2+]C1 ZINC000583082432 329311659 /nfs/dbraw/zinc/31/16/59/329311659.db2.gz WWNRIGBAEZUYDO-GWCFXTLKSA-N 2 0 266.345 -0.340 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCC[NH3+])C[N@@H+]1C1CC1 ZINC000583095545 329315354 /nfs/dbraw/zinc/31/53/54/329315354.db2.gz NCCHQMVRPJEWFV-MNOVXSKESA-N 2 0 282.388 -0.465 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000583198177 329360175 /nfs/dbraw/zinc/36/01/75/329360175.db2.gz NKOQZNIXUSDPET-YNEHKIRRSA-N 2 0 294.399 -0.641 20 0 CBADRP COC[C@]1(CNC(=O)C2(OC)CC[NH2+]CC2)CCC[NH2+]1 ZINC000583204133 329363242 /nfs/dbraw/zinc/36/32/42/329363242.db2.gz CXFHTMJDLIGXQP-CYBMUJFWSA-N 2 0 285.388 -0.360 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@](C)(C[NH3+])C2)CC[NH2+]C1 ZINC000583258282 329404378 /nfs/dbraw/zinc/40/43/78/329404378.db2.gz RHMBUAZNOVEMSP-OLZOCXBDSA-N 2 0 255.362 -0.190 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000583753157 329473601 /nfs/dbraw/zinc/47/36/01/329473601.db2.gz PRWXJBOFPDNMOB-WDEREUQCSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000572032924 329939228 /nfs/dbraw/zinc/93/92/28/329939228.db2.gz FZXPKYHFCDOCLM-OUAUKWLOSA-N 2 0 268.361 -0.937 20 0 CBADRP CC(C)(C[NH3+])C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000572035914 329939271 /nfs/dbraw/zinc/93/92/71/329939271.db2.gz XYEKDRUTOVOVRX-UHFFFAOYSA-N 2 0 267.337 -0.862 20 0 CBADRP CC(C)[C@@H](O)C1(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000572040056 329939426 /nfs/dbraw/zinc/93/94/26/329939426.db2.gz YXARBYXFRKJPHT-HUUCEWRRSA-N 2 0 299.459 -0.019 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000572118287 329945979 /nfs/dbraw/zinc/94/59/79/329945979.db2.gz MVMRYTCVELECHD-VWYCJHECSA-N 2 0 271.361 -0.134 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000580429462 330134178 /nfs/dbraw/zinc/13/41/78/330134178.db2.gz HICTYSYSYLGZOB-WDEREUQCSA-N 2 0 268.361 -0.935 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000575354444 335097069 /nfs/dbraw/zinc/09/70/69/335097069.db2.gz QJZAHELHTIBUFO-VXGBXAGGSA-N 2 0 268.405 -0.216 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C[C@H]3CCCC[C@H]3[NH3+])CCN2C1=O ZINC000575762803 335113207 /nfs/dbraw/zinc/11/32/07/335113207.db2.gz GWSRDKQZPUQWNY-FDYHWXHSSA-N 2 0 294.399 -0.336 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000566199211 334635223 /nfs/dbraw/zinc/63/52/23/334635223.db2.gz TZGNWVRQKFDFNX-JQWIXIFHSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH+](C)CCNC(=O)CSCC(=O)NCC[NH+](C)C ZINC000192460696 335124310 /nfs/dbraw/zinc/12/43/10/335124310.db2.gz ADMUMMFHMAXMQO-UHFFFAOYSA-N 2 0 290.433 -0.925 20 0 CBADRP CC(C)[NH2+]CCC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000575865886 335125480 /nfs/dbraw/zinc/12/54/80/335125480.db2.gz YSWKHXLAMHSRAT-GFCCVEGCSA-N 2 0 284.404 -0.170 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000575866997 335126047 /nfs/dbraw/zinc/12/60/47/335126047.db2.gz ZVVSBQZYUUKOFX-JTQLQIEISA-N 2 0 256.350 -0.915 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000572527801 333185451 /nfs/dbraw/zinc/18/54/51/333185451.db2.gz NFYDWSQUEUSBLF-HIFRSBDPSA-N 2 0 280.416 -0.118 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000575974429 335136803 /nfs/dbraw/zinc/13/68/03/335136803.db2.gz FAQFLWVYZJXZDD-UHFFFAOYSA-N 2 0 286.420 -0.099 20 0 CBADRP C[N@H+](C[C@@H](O)CN[C@@H](CO)C[NH+]1CCCCC1)C1CC1 ZINC000575988185 335138827 /nfs/dbraw/zinc/13/88/27/335138827.db2.gz AIPGDFRWJDEULA-HIFRSBDPSA-N 2 0 285.432 -0.122 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000576015750 335141892 /nfs/dbraw/zinc/14/18/92/335141892.db2.gz ZVXFXHTYCRCONL-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000576092317 335152204 /nfs/dbraw/zinc/15/22/04/335152204.db2.gz HLMXRUPAASQVGR-UTUOFQBUSA-N 2 0 254.378 -0.606 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000576120807 335157489 /nfs/dbraw/zinc/15/74/89/335157489.db2.gz QLBSQKYZFYHCFO-AWEZNQCLSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000576160437 335162540 /nfs/dbraw/zinc/16/25/40/335162540.db2.gz HFMXKYIUGBRPIK-QWRGUYRKSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174729836 335165192 /nfs/dbraw/zinc/16/51/92/335165192.db2.gz RGASLPNTBIKNEB-LBPRGKRZSA-N 2 0 256.394 -0.180 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@@H](C)[NH+](C)[C@@H](C)C1 ZINC000311528328 334224410 /nfs/dbraw/zinc/22/44/10/334224410.db2.gz FBTJSQCRWBLHRO-MJBXVCDLSA-N 2 0 273.421 -0.050 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NC3C[NH2+]C3)CC[C@@H]21 ZINC000567573506 334359864 /nfs/dbraw/zinc/35/98/64/334359864.db2.gz ILHJUACESYKJNS-JQWIXIFHSA-N 2 0 280.372 -0.983 20 0 CBADRP [NH3+][C@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)C1CC1 ZINC000564949729 334529901 /nfs/dbraw/zinc/52/99/01/334529901.db2.gz GJABJNPLTLBKMH-VHSXEESVSA-N 2 0 263.345 -0.046 20 0 CBADRP C[C@](C[NH3+])(NC(=O)COC1CC[NH2+]CC1)C1CC1 ZINC000564991633 334532986 /nfs/dbraw/zinc/53/29/86/334532986.db2.gz NBWBYINMFFBGIB-CYBMUJFWSA-N 2 0 255.362 -0.001 20 0 CBADRP CC[NH+]1CCN(CC(=O)N(C)CCC[NH2+]C)CC1 ZINC000565040657 334535677 /nfs/dbraw/zinc/53/56/77/334535677.db2.gz NUQBRLQIJPACFG-UHFFFAOYSA-N 2 0 256.394 -0.308 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000565040359 334535679 /nfs/dbraw/zinc/53/56/79/334535679.db2.gz RFUZRXMHWDNJIN-RWMBFGLXSA-N 2 0 268.405 -0.134 20 0 CBADRP CCOC[C@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000565359423 334555497 /nfs/dbraw/zinc/55/54/97/334555497.db2.gz XMKPBCZCEKAZRS-QWHCGFSZSA-N 2 0 259.394 -0.391 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000565364870 334556510 /nfs/dbraw/zinc/55/65/10/334556510.db2.gz OJXQPKUYLUAQHM-FYLLDIAZSA-N 2 0 271.361 -0.230 20 0 CBADRP CC1(C)CN(C(=O)c2cn(CCC[NH3+])nn2)CC[NH2+]1 ZINC000565539356 334572277 /nfs/dbraw/zinc/57/22/77/334572277.db2.gz VPUFZOPFUDLQJA-UHFFFAOYSA-N 2 0 266.349 -0.549 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000565656191 334584947 /nfs/dbraw/zinc/58/49/47/334584947.db2.gz JLIVNSCCLAJCRM-AVGNSLFASA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H](C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[C@H](C)[NH3+] ZINC000565656192 334585034 /nfs/dbraw/zinc/58/50/34/334585034.db2.gz JLIVNSCCLAJCRM-FRRDWIJNSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000565891220 334606599 /nfs/dbraw/zinc/60/65/99/334606599.db2.gz RMULWHRVYUKVKN-IJLUTSLNSA-N 2 0 282.388 -0.641 20 0 CBADRP C[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000566188014 334633848 /nfs/dbraw/zinc/63/38/48/334633848.db2.gz AXLPPERENKTBTN-GHMZBOCLSA-N 2 0 268.361 -0.935 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC1CC[NH2+]CC1 ZINC000566202584 334635398 /nfs/dbraw/zinc/63/53/98/334635398.db2.gz KXRAZWGODBJKMD-LBPRGKRZSA-N 2 0 282.388 -0.640 20 0 CBADRP CC1CC[NH+](CC(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000566200533 334635547 /nfs/dbraw/zinc/63/55/47/334635547.db2.gz YXUQLIRNPCGAOB-ZDUSSCGKSA-N 2 0 268.405 -0.180 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000566210934 334635883 /nfs/dbraw/zinc/63/58/83/334635883.db2.gz ABVVMJSZDPVVLJ-NTZNESFSSA-N 2 0 253.346 -0.519 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000566733348 334662173 /nfs/dbraw/zinc/66/21/73/334662173.db2.gz QPTYAEJJKAYXSN-ZIAGYGMSSA-N 2 0 273.421 -0.145 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000567271697 334700032 /nfs/dbraw/zinc/70/00/32/334700032.db2.gz LRLZNLSXOREOLY-ZJUUUORDSA-N 2 0 270.377 -0.656 20 0 CBADRP COC[C@]1(C(=O)NCC2CC[NH2+]CC2)CC[NH2+]C1 ZINC000567463218 334722320 /nfs/dbraw/zinc/72/23/20/334722320.db2.gz HLHBBVSJNUPWJL-ZDUSSCGKSA-N 2 0 255.362 -0.272 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000567647059 334745999 /nfs/dbraw/zinc/74/59/99/334745999.db2.gz PFFCPZGBERNYDG-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000567894849 334772976 /nfs/dbraw/zinc/77/29/76/334772976.db2.gz YQYLMIAKVVBJQB-HIFRSBDPSA-N 2 0 297.399 -0.327 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000567911008 334775097 /nfs/dbraw/zinc/77/50/97/334775097.db2.gz LCDOEWULLNEYEJ-WOPDTQHZSA-N 2 0 255.362 -0.036 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158920024 334816482 /nfs/dbraw/zinc/81/64/82/334816482.db2.gz ZJTVMXBSPSLQSI-JSGCOSHPSA-N 2 0 267.373 -0.033 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000568511998 334827943 /nfs/dbraw/zinc/82/79/43/334827943.db2.gz FVWICBWSWJWUHU-OUAUKWLOSA-N 2 0 271.361 -0.005 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CNC(=O)C[NH3+])C1 ZINC000568746268 334838628 /nfs/dbraw/zinc/83/86/28/334838628.db2.gz LPJXMTREMFAJMT-UPJWGTAASA-N 2 0 296.415 -0.075 20 0 CBADRP O=C(CC[C@@H]1CC[NH2+]C1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000572876573 334886939 /nfs/dbraw/zinc/88/69/39/334886939.db2.gz NCRJXBZOPRHYKH-SNVBAGLBSA-N 2 0 293.375 -0.458 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000572999720 334899534 /nfs/dbraw/zinc/89/95/34/334899534.db2.gz WECBNVDOIHSAEP-SRVKXCTJSA-N 2 0 282.388 -0.560 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000573204209 334917213 /nfs/dbraw/zinc/91/72/13/334917213.db2.gz OINHDHZGMSOPBW-CMPLNLGQSA-N 2 0 253.346 -0.425 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000576463545 335206870 /nfs/dbraw/zinc/20/68/70/335206870.db2.gz OSSMPHUHONFYST-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000576574363 335220226 /nfs/dbraw/zinc/22/02/26/335220226.db2.gz CMNPOKWMINEIMY-HUUCEWRRSA-N 2 0 285.432 -0.047 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)CCC1CC[NH2+]CC1 ZINC000576699220 335236308 /nfs/dbraw/zinc/23/63/08/335236308.db2.gz LJXGRYONPHVFOY-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP Cc1noc(CCCC(=O)N2CCN(C)C[C@@H]2C[NH3+])n1 ZINC000576986004 335273726 /nfs/dbraw/zinc/27/37/26/335273726.db2.gz HWOFGXSZGHZOHC-NSHDSACASA-N 2 0 281.360 -0.198 20 0 CBADRP O=C(CC[C@H]1CC[NH2+]C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000580560601 335281246 /nfs/dbraw/zinc/28/12/46/335281246.db2.gz OAYBYXAEZFJWAQ-UONOGXRCSA-N 2 0 280.416 -0.118 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000580566434 335282853 /nfs/dbraw/zinc/28/28/53/335282853.db2.gz SWMTUDPCOUNILD-DGCLKSJQSA-N 2 0 254.378 -0.604 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000580565456 335287411 /nfs/dbraw/zinc/28/74/11/335287411.db2.gz NBSIIEZSFYHUFK-YPMHNXCESA-N 2 0 282.388 -0.561 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000577060036 335292982 /nfs/dbraw/zinc/29/29/82/335292982.db2.gz FYHHJSYGWTYSTC-QWHCGFSZSA-N 2 0 296.415 -0.488 20 0 CBADRP C[NH+](C)CCN(C(=O)C[C@@H]1COCC[NH2+]1)C1CC1 ZINC000577061189 335293379 /nfs/dbraw/zinc/29/33/79/335293379.db2.gz ZLYCXVSVOHLUPS-LLVKDONJSA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000581070735 335295677 /nfs/dbraw/zinc/29/56/77/335295677.db2.gz BFRIYWCXSFLJRC-WDEREUQCSA-N 2 0 270.377 -0.573 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@@H]1CCC[NH2+]C1 ZINC000577106563 335300153 /nfs/dbraw/zinc/30/01/53/335300153.db2.gz NOKSQDAYZJLLQF-KKOKHZNYSA-N 2 0 255.362 -0.003 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000577172007 335314562 /nfs/dbraw/zinc/31/45/62/335314562.db2.gz SSYMLSIXPUREOX-CKYFFXLPSA-N 2 0 280.376 -0.257 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000580658808 335314692 /nfs/dbraw/zinc/31/46/92/335314692.db2.gz FNNACUPEZZCELX-QWRGUYRKSA-N 2 0 291.355 -0.406 20 0 CBADRP CC(C)[C@H](C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[NH+](C)C ZINC000577232145 335327859 /nfs/dbraw/zinc/32/78/59/335327859.db2.gz XBTOBGWYDVHWFG-GRYCIOLGSA-N 2 0 282.388 -0.657 20 0 CBADRP O[C@H](Cn1cccn1)C[NH+]1CCN(c2ncc[nH]2)CC1 ZINC000577234908 335328246 /nfs/dbraw/zinc/32/82/46/335328246.db2.gz BZDIZKVFXHMSGY-LBPRGKRZSA-N 2 0 276.344 -0.211 20 0 CBADRP C[C@@H]1CN(C[C@H](O)C[NH2+][C@@H]2C=C[C@H](CO)C2)C[C@H](C)O1 ZINC000577396768 335348124 /nfs/dbraw/zinc/34/81/24/335348124.db2.gz ZQPRXKOXJWYZSW-XPABHHOTSA-N 2 0 284.400 -0.017 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)C(F)F ZINC000577491926 335358633 /nfs/dbraw/zinc/35/86/33/335358633.db2.gz VXTXWRYZZGIQNZ-JGVFFNPUSA-N 2 0 251.277 -0.536 20 0 CBADRP C[N@H+](C[C@H](O)CNCCC[NH+]1CCC(O)CC1)C1CC1 ZINC000577493175 335358997 /nfs/dbraw/zinc/35/89/97/335358997.db2.gz WIZXFAHCGPLDQX-OAHLLOKOSA-N 2 0 285.432 -0.122 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000577725975 335392711 /nfs/dbraw/zinc/39/27/11/335392711.db2.gz GUBJSLCMDJGHFT-NSHDSACASA-N 2 0 280.376 -0.159 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000577751526 335397586 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294.399 -0.545 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)NCCCN1CC[NH2+]CC1 ZINC000578888215 335685876 /nfs/dbraw/zinc/68/58/76/335685876.db2.gz WMMKHKNPCZNFCO-GFCCVEGCSA-N 2 0 256.394 -0.214 20 0 CBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000578889598 335686190 /nfs/dbraw/zinc/68/61/90/335686190.db2.gz RJONXGDTZNGZJA-RKDXNWHRSA-N 2 0 279.348 -0.849 20 0 CBADRP [NH3+]C1(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)CC1 ZINC000578979499 335694765 /nfs/dbraw/zinc/69/47/65/335694765.db2.gz ASKRNAAJFQDWIM-UHFFFAOYSA-N 2 0 261.329 -0.079 20 0 CBADRP C[C@]1(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000579005813 335699530 /nfs/dbraw/zinc/69/95/30/335699530.db2.gz RDFYOUYLJHXKRI-RISCZKNCSA-N 2 0 282.388 -0.640 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000579234185 335721442 /nfs/dbraw/zinc/72/14/42/335721442.db2.gz PXVLLHAPIQDBCG-VXGBXAGGSA-N 2 0 254.378 -0.380 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000579735448 335877848 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C[C@]1(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000581190539 336021711 /nfs/dbraw/zinc/02/17/11/336021711.db2.gz SAALBCTZTQOEJU-WFASDCNBSA-N 2 0 296.415 -0.249 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000581199334 336023469 /nfs/dbraw/zinc/02/34/69/336023469.db2.gz HKKXCRRWGFYFTD-NSHDSACASA-N 2 0 282.388 -0.558 20 0 CBADRP O=C(C[NH2+]C1CC1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000581305148 336043923 /nfs/dbraw/zinc/04/39/23/336043923.db2.gz QOADXESBCSUMLG-JTQLQIEISA-N 2 0 294.321 -0.309 20 0 CBADRP [NH3+]C[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)C1CCCC1 ZINC000581309815 336045437 /nfs/dbraw/zinc/04/54/37/336045437.db2.gz SBRRFBCXTQORJM-VXGBXAGGSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]C[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)C1CCCC1 ZINC000581309813 336045493 /nfs/dbraw/zinc/04/54/93/336045493.db2.gz SBRRFBCXTQORJM-NWDGAFQWSA-N 2 0 255.362 -0.001 20 0 CBADRP COC1(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC[NH2+]CC1 ZINC000581311493 336045899 /nfs/dbraw/zinc/04/58/99/336045899.db2.gz MNCDEDTVCRADGG-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCNC[C@H]1c1nccn1C ZINC000581370980 336063334 /nfs/dbraw/zinc/06/33/34/336063334.db2.gz JVJYXNPWQOYNLG-TUAOUCFPSA-N 2 0 277.372 -0.109 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000581372433 336063390 /nfs/dbraw/zinc/06/33/90/336063390.db2.gz HWEJHKHPTGSZAV-NWDGAFQWSA-N 2 0 256.394 -0.134 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000581490050 336088852 /nfs/dbraw/zinc/08/88/52/336088852.db2.gz UOOCGEZZERXBOI-LLVKDONJSA-N 2 0 265.361 -0.185 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000581546943 336099907 /nfs/dbraw/zinc/09/99/07/336099907.db2.gz PKVWJPWLTAEYCI-QWRGUYRKSA-N 2 0 260.382 -0.274 20 0 CBADRP CS(=O)(=O)NCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000581608496 336111676 /nfs/dbraw/zinc/11/16/76/336111676.db2.gz OWBSSZHIMQGYAL-NEPJUHHUSA-N 2 0 275.418 -0.143 20 0 CBADRP C[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@@]1(C)C[NH3+] ZINC000581657141 336118956 /nfs/dbraw/zinc/11/89/56/336118956.db2.gz FLQIXGGUZFOOHT-CFDXXZMTSA-N 2 0 252.362 -0.170 20 0 CBADRP CC1(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000581725584 336137919 /nfs/dbraw/zinc/13/79/19/336137919.db2.gz WIJZRWAHHWEYHH-NSHDSACASA-N 2 0 282.388 -0.640 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)C1CC1 ZINC000581777855 336146004 /nfs/dbraw/zinc/14/60/04/336146004.db2.gz FXFGIWWZJHHWAG-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)[NH2+]CCC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000581822673 336147037 /nfs/dbraw/zinc/14/70/37/336147037.db2.gz JIFPAZIIGYBMII-CYBMUJFWSA-N 2 0 268.405 -0.119 20 0 CBADRP CC[NH2+]CCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000581823262 336147317 /nfs/dbraw/zinc/14/73/17/336147317.db2.gz VNUQIPOZXMTKGP-SNVBAGLBSA-N 2 0 266.349 -0.631 20 0 CBADRP CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000581822986 336147495 /nfs/dbraw/zinc/14/74/95/336147495.db2.gz AUMGVWLRMGBAEN-WDEREUQCSA-N 2 0 268.361 -0.935 20 0 CBADRP C[NH2+]CCC1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000581823508 336147634 /nfs/dbraw/zinc/14/76/34/336147634.db2.gz LWNJCFFEYVWNEK-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000581882781 336158757 /nfs/dbraw/zinc/15/87/57/336158757.db2.gz NXSFUJTXHIOCKP-FZMZJTMJSA-N 2 0 280.372 -0.933 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)COC1CCC([NH3+])CC1 ZINC000581883589 336159202 /nfs/dbraw/zinc/15/92/02/336159202.db2.gz OJCJTWCFASNHCS-CPCZMJQVSA-N 2 0 284.404 -0.707 20 0 CBADRP CC(C)N(C)S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000104102245 582113029 /nfs/dbraw/zinc/11/30/29/582113029.db2.gz YEGXJKAYTKEHNT-UHFFFAOYSA-N 2 0 294.465 -0.003 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000237360839 533769879 /nfs/dbraw/zinc/76/98/79/533769879.db2.gz WDOBPCKZXKCPKC-WDEREUQCSA-N 2 0 270.377 -0.893 20 0 CBADRP CC[C@@]1(C(=O)NCCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000360468502 536024651 /nfs/dbraw/zinc/02/46/51/536024651.db2.gz WALFXKQDPIBMRP-CYBMUJFWSA-N 2 0 254.378 -0.603 20 0 CBADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000049557255 524474711 /nfs/dbraw/zinc/47/47/11/524474711.db2.gz UFADBTMQKHIKOR-STQMWFEESA-N 2 0 259.394 -0.391 20 0 CBADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000377807025 527900747 /nfs/dbraw/zinc/90/07/47/527900747.db2.gz MPSUOIKXPIZJBG-ZIAGYGMSSA-N 2 0 282.432 -0.016 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000376696779 529151786 /nfs/dbraw/zinc/15/17/86/529151786.db2.gz ZITNKTPHUQCFES-TZMCWYRMSA-N 2 0 286.395 -0.170 20 0 CBADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000368124658 535290239 /nfs/dbraw/zinc/29/02/39/535290239.db2.gz IRBVGBWUPHHYMM-OLZOCXBDSA-N 2 0 268.405 -0.358 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000357230708 535699781 /nfs/dbraw/zinc/69/97/81/535699781.db2.gz XRCMVZNSSOOCLX-ZDUSSCGKSA-N 2 0 284.404 -0.881 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000357230705 535700272 /nfs/dbraw/zinc/70/02/72/535700272.db2.gz XRCMVZNSSOOCLX-CYBMUJFWSA-N 2 0 284.404 -0.881 20 0 CBADRP C[NH+](C)CCNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000357244448 535890745 /nfs/dbraw/zinc/89/07/45/535890745.db2.gz SBMMDBLZLIOFNK-SNVBAGLBSA-N 2 0 266.349 -0.506 20 0 CBADRP CS(=O)(=O)CC[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000843073211 583199798 /nfs/dbraw/zinc/19/97/98/583199798.db2.gz OMQFLVXAWHVKAT-GFCCVEGCSA-N 2 0 278.418 -0.143 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C1=COCCO1 ZINC000728611609 582144164 /nfs/dbraw/zinc/14/41/64/582144164.db2.gz RLYIABLCAWGXQO-UHFFFAOYSA-N 2 0 271.361 -0.174 20 0 CBADRP CC[C@@H](CO)[NH+]1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000743859805 582278415 /nfs/dbraw/zinc/27/84/15/582278415.db2.gz JMNUXJRXAYHJAU-GJZGRUSLSA-N 2 0 285.432 -0.168 20 0 CBADRP O=C(NCC[NH+]1CCC1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000752666714 582295455 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C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000800377149 582422562 /nfs/dbraw/zinc/42/25/62/582422562.db2.gz MYKVLANHVYWGJX-KKUMJFAQSA-N 2 0 285.432 -0.170 20 0 CBADRP CC[NH2+]CC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000818586129 582512214 /nfs/dbraw/zinc/51/22/14/582512214.db2.gz SAEMLZAWAGPUGY-NSHDSACASA-N 2 0 270.377 -0.558 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@H](O)C2CC2)C1 ZINC000819004022 582524690 /nfs/dbraw/zinc/52/46/90/582524690.db2.gz JOLWILOZCLXSOD-STQMWFEESA-N 2 0 269.389 -0.066 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCOc2cccnc2)CC1 ZINC000819070087 582526025 /nfs/dbraw/zinc/52/60/25/582526025.db2.gz UYYQLOLYZOOGTD-AWEZNQCLSA-N 2 0 294.399 -0.342 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000822933320 582653403 /nfs/dbraw/zinc/65/34/03/582653403.db2.gz DFPCRHYJEANQIW-STQMWFEESA-N 2 0 267.373 -0.250 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000822933317 582653484 /nfs/dbraw/zinc/65/34/84/582653484.db2.gz DFPCRHYJEANQIW-CHWSQXEVSA-N 2 0 267.373 -0.250 20 0 CBADRP CC(CNC(=O)[C@@H](C)[NH+](C)C)CNC(=O)[C@@H](C)[NH+](C)C ZINC000823201652 582662776 /nfs/dbraw/zinc/66/27/76/582662776.db2.gz AWGDZLADVIDSED-VXGBXAGGSA-N 2 0 286.420 -0.245 20 0 CBADRP O=C(NCCNc1cc[nH+]cc1)[C@]1(F)CC[NH2+]C1 ZINC000827434625 582816582 /nfs/dbraw/zinc/81/65/82/582816582.db2.gz YWRFUOLMWAMIDQ-LBPRGKRZSA-N 2 0 252.293 -0.267 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000828357944 582853861 /nfs/dbraw/zinc/85/38/61/582853861.db2.gz GNDDQCOUVSGZIK-STQMWFEESA-N 2 0 296.415 -0.183 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000829287019 582884784 /nfs/dbraw/zinc/88/47/84/582884784.db2.gz NOKYWPLWKSOWSK-PWSUYJOCSA-N 2 0 258.341 -0.950 20 0 CBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@@H]3[NH3+])C2)CC1 ZINC000829484718 582888201 /nfs/dbraw/zinc/88/82/01/582888201.db2.gz WSNQWRCLQJMKFR-RTXFEEFZSA-N 2 0 266.389 -0.382 20 0 CBADRP [NH3+][C@H](CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000831682542 582993821 /nfs/dbraw/zinc/99/38/21/582993821.db2.gz ABVCMIZXJHEXME-QWHCGFSZSA-N 2 0 266.389 -0.380 20 0 CBADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@]1(F)CC[NH2+]C1 ZINC000831822816 583004250 /nfs/dbraw/zinc/00/42/50/583004250.db2.gz OSNVGPQHQCHQKF-ZDUSSCGKSA-N 2 0 273.352 -0.349 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000831971510 583009401 /nfs/dbraw/zinc/00/94/01/583009401.db2.gz ZRMNJJDTCVFGQO-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831971334 583009485 /nfs/dbraw/zinc/00/94/85/583009485.db2.gz VJMODBRMISEUCI-MNOVXSKESA-N 2 0 271.361 -0.133 20 0 CBADRP [NH3+][C@H](CC(=O)NCC[N@@H+]1CCCOCC1)C1CC1 ZINC000832002584 583010397 /nfs/dbraw/zinc/01/03/97/583010397.db2.gz PUYXZMCANCHBRX-GFCCVEGCSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000832526406 583027835 /nfs/dbraw/zinc/02/78/35/583027835.db2.gz DHKDEHJPWOMONY-RYUDHWBXSA-N 2 0 282.388 -0.573 20 0 CBADRP CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CCC([NH3+])CC1 ZINC000832829328 583049465 /nfs/dbraw/zinc/04/94/65/583049465.db2.gz PLNSISABASODID-WXRRBKDZSA-N 2 0 296.415 -0.027 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCC2(C1)CC[NH2+]CC2 ZINC000834437474 583122940 /nfs/dbraw/zinc/12/29/40/583122940.db2.gz AXARDUQTWXTKEM-GFCCVEGCSA-N 2 0 267.373 -0.033 20 0 CBADRP C[NH+](C)CCNC(=S)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000840778908 583167564 /nfs/dbraw/zinc/16/75/64/583167564.db2.gz HFKHLVGTURBFPM-LBPRGKRZSA-N 2 0 288.461 -0.141 20 0 CBADRP CN(C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC([NH3+])C1 ZINC000841790483 583173982 /nfs/dbraw/zinc/17/39/82/583173982.db2.gz XIBNWFVLYXLXEN-PYNQCMFNSA-N 2 0 282.388 -0.019 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000841789757 583174028 /nfs/dbraw/zinc/17/40/28/583174028.db2.gz QMHPBRZLJZUHGS-QJPTWQEYSA-N 2 0 270.377 -0.114 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@@H]1CCC[NH2+]C1 ZINC000841790755 583174418 /nfs/dbraw/zinc/17/44/18/583174418.db2.gz JDIBMNFFJJBZMD-AGIUHOORSA-N 2 0 282.388 -0.099 20 0 CBADRP C[C@H]1CN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH2+]1 ZINC000841790812 583174540 /nfs/dbraw/zinc/17/45/40/583174540.db2.gz KLELBMHZCDBKRP-XQQFMLRXSA-N 2 0 282.388 -0.147 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H]1CCC[NH2+]C1 ZINC000841790758 583174562 /nfs/dbraw/zinc/17/45/62/583174562.db2.gz JDIBMNFFJJBZMD-JHJVBQTASA-N 2 0 282.388 -0.099 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000841855997 583175349 /nfs/dbraw/zinc/17/53/49/583175349.db2.gz KTFYGHVLCSGHJW-YNEHKIRRSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@]1(F)CC[NH2+]C1 ZINC000841852268 583175403 /nfs/dbraw/zinc/17/54/03/583175403.db2.gz ISOJHXGVASZJFG-CBAPKCEASA-N 2 0 251.252 -0.199 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[NH+]1CCCCC1 ZINC000842014229 583177602 /nfs/dbraw/zinc/17/76/02/583177602.db2.gz APSLMTNUUTWIRF-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])[NH+]1CCCCC1 ZINC000842014262 583177836 /nfs/dbraw/zinc/17/78/36/583177836.db2.gz BDROXBYRMMWZBT-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000842016037 583178124 /nfs/dbraw/zinc/17/81/24/583178124.db2.gz QUBCLSDYRMQXHQ-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N(C)CC[NH3+])[NH+]1CCCCC1 ZINC000842015420 583178190 /nfs/dbraw/zinc/17/81/90/583178190.db2.gz LCENHMUYXDGWQQ-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CC[NH2+]C ZINC000842097345 583179285 /nfs/dbraw/zinc/17/92/85/583179285.db2.gz KOTXEICQNHTCAV-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842512262 583184628 /nfs/dbraw/zinc/18/46/28/583184628.db2.gz JEYZBQLTYYWOMO-DOMZBBRYSA-N 2 0 294.399 -0.401 20 0 CBADRP Cn1cc(C[NH2+]CCCCCC[NH3+])c(=O)n(C)c1=O ZINC000843129472 583203892 /nfs/dbraw/zinc/20/38/92/583203892.db2.gz UOKMWZDTEXPGEO-UHFFFAOYSA-N 2 0 268.361 -0.307 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)NCC[C@H]1CC[NH2+]C1 ZINC000843338014 583210097 /nfs/dbraw/zinc/21/00/97/583210097.db2.gz DKLIVUVXCSQFSD-NEPJUHHUSA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000843347151 583211150 /nfs/dbraw/zinc/21/11/50/583211150.db2.gz UDKBMNLEMPNVGU-IJLUTSLNSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCN1CCOC1=O ZINC000843377325 583213781 /nfs/dbraw/zinc/21/37/81/583213781.db2.gz TVIVFEWFGNOSRN-GFCCVEGCSA-N 2 0 298.387 -0.242 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000843472307 583224441 /nfs/dbraw/zinc/22/44/41/583224441.db2.gz AMDCBOBEMHHTAD-DGCLKSJQSA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843475166 583224908 /nfs/dbraw/zinc/22/49/08/583224908.db2.gz BCPLVWOHZYQCPM-SRVKXCTJSA-N 2 0 273.352 -0.087 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000843475885 583225304 /nfs/dbraw/zinc/22/53/04/583225304.db2.gz BCEUJPUGJGRBFE-BXKDBHETSA-N 2 0 273.308 -0.949 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H](C)[NH2+]C1CC1 ZINC000843480427 583226299 /nfs/dbraw/zinc/22/62/99/583226299.db2.gz WVWWYQXAZNXSKD-KOLCDFICSA-N 2 0 269.345 -0.510 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)NCC[N@@H+]1CCCOCC1 ZINC000843495751 583229232 /nfs/dbraw/zinc/22/92/32/583229232.db2.gz QHTOVCSNPQRTMU-ZDUSSCGKSA-N 2 0 285.388 -0.407 20 0 CBADRP CN(C(=O)CO[C@H]1CCC[NH2+]C1)[C@@H](C[NH3+])C1CC1 ZINC000843499221 583230339 /nfs/dbraw/zinc/23/03/39/583230339.db2.gz XLRKXCMANQYEGA-RYUDHWBXSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)NCC[NH+]1CCCC1 ZINC000844166696 583255662 /nfs/dbraw/zinc/25/56/62/583255662.db2.gz QBECISFEQVZAFE-GFCCVEGCSA-N 2 0 255.362 -0.033 20 0 CBADRP COCC[NH2+]CC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000844171206 583256135 /nfs/dbraw/zinc/25/61/35/583256135.db2.gz NELJLTSERPLCBG-AWEZNQCLSA-N 2 0 299.415 -0.018 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844170952 583256271 /nfs/dbraw/zinc/25/62/71/583256271.db2.gz OCLZFJLSQLSWJL-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH2+]CC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000844172422 583256706 /nfs/dbraw/zinc/25/67/06/583256706.db2.gz XOYBISLDZOWHMN-LBPRGKRZSA-N 2 0 255.362 -0.035 20 0 CBADRP COCC[NH+]1CCC(NC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844176155 583257395 /nfs/dbraw/zinc/25/73/95/583257395.db2.gz XNYBHFWCZYOFHU-AWEZNQCLSA-N 2 0 299.415 -0.018 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000844179002 583257969 /nfs/dbraw/zinc/25/79/69/583257969.db2.gz CLHONJJPYASAEF-BFHYXJOUSA-N 2 0 297.399 -0.266 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000844181276 583258396 /nfs/dbraw/zinc/25/83/96/583258396.db2.gz WYNYVKGFQBZHGF-KVSVUVNWSA-N 2 0 265.357 -0.569 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844182474 583259071 /nfs/dbraw/zinc/25/90/71/583259071.db2.gz GFYFADISQGTBBR-QWHCGFSZSA-N 2 0 285.388 -0.408 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844191538 583259972 /nfs/dbraw/zinc/25/99/72/583259972.db2.gz WVSCXUIRGLOELE-ZIAGYGMSSA-N 2 0 298.431 -0.493 20 0 CBADRP COC[C@@H]1C[C@@H](O)CN1C[C@H](O)C[NH+]1CCCC1 ZINC000844393135 583269283 /nfs/dbraw/zinc/26/92/83/583269283.db2.gz HYKHQPVSUVACDU-YNEHKIRRSA-N 2 0 258.362 -0.475 20 0 CBADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000844920853 583285032 /nfs/dbraw/zinc/28/50/32/583285032.db2.gz NPOVBMKJSQGPOZ-GHMZBOCLSA-N 2 0 255.362 -0.001 20 0 CBADRP CN(C)C(=O)[C@H]1C[N@H+](CCCCCC[NH3+])CCN1 ZINC000846220306 583356056 /nfs/dbraw/zinc/35/60/56/583356056.db2.gz FLKNDXFHEWJVAT-GFCCVEGCSA-N 2 0 256.394 -0.133 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000846312229 583358697 /nfs/dbraw/zinc/35/86/97/583358697.db2.gz FJWJCXRDERABLZ-VIFPVBQESA-N 2 0 254.338 -0.087 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000846345568 583359158 /nfs/dbraw/zinc/35/91/58/583359158.db2.gz YRDWGDSIOAZGGN-NSHDSACASA-N 2 0 272.393 -0.456 20 0 CBADRP C[NH+](C)CCN1CCN(C(=O)C2([NH+](C)C)CCC2)CC1=O ZINC000846365152 583360062 /nfs/dbraw/zinc/36/00/62/583360062.db2.gz UZTGXUPIUUOSJV-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@H](N)CC[NH+](C)C ZINC000846716614 583385678 /nfs/dbraw/zinc/38/56/78/583385678.db2.gz DFCVWIHDOANTRO-NWDGAFQWSA-N 2 0 256.394 -0.134 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)N(C)C ZINC000848982049 583464082 /nfs/dbraw/zinc/46/40/82/583464082.db2.gz OPQSFWQKFCDQRI-SNVBAGLBSA-N 2 0 255.366 -0.327 20 0 CBADRP COC[C@@H](C)NC(=[NH2+])NCCC[NH+]1CCC(O)CC1 ZINC000848987871 583464607 /nfs/dbraw/zinc/46/46/07/583464607.db2.gz KNGPYNAEQGNGOP-LLVKDONJSA-N 2 0 272.393 -0.018 20 0 CBADRP CC[NH+]1CCN(CCNC(=[NH2+])N2CCO[C@H](C)C2)CC1 ZINC000848987823 583464646 /nfs/dbraw/zinc/46/46/46/583464646.db2.gz DQGIZZAPVISOSI-CYBMUJFWSA-N 2 0 283.420 -0.131 20 0 CBADRP COCCNC(=[NH2+])NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000848999345 583465426 /nfs/dbraw/zinc/46/54/26/583465426.db2.gz XSFMLFYENHXHDZ-LLVKDONJSA-N 2 0 285.392 -0.666 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCC(F)F ZINC000849026087 583469212 /nfs/dbraw/zinc/46/92/12/583469212.db2.gz UIHFGOCYVSERCP-VIFPVBQESA-N 2 0 291.346 -0.034 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)Cn1ccnn1 ZINC000849041095 583471029 /nfs/dbraw/zinc/47/10/29/583471029.db2.gz KCOHRHVVZKFSDW-NEPJUHHUSA-N 2 0 295.391 -0.763 20 0 CBADRP [NH3+]CCOc1cccc(NC(=O)c2cn(CC[NH3+])nn2)c1 ZINC000851630509 583517416 /nfs/dbraw/zinc/51/74/16/583517416.db2.gz ISBHFJWORVJMND-UHFFFAOYSA-N 2 0 290.327 -0.173 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000851668162 583519393 /nfs/dbraw/zinc/51/93/93/583519393.db2.gz RYOOYVPOSAXODH-JGVFFNPUSA-N 2 0 250.293 -0.109 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)NC[C@@H]([NH3+])c2ccccc2)=NO1 ZINC000852795182 583552967 /nfs/dbraw/zinc/55/29/67/583552967.db2.gz GEGGCZMAAAXSLP-GHMZBOCLSA-N 2 0 262.313 -0.094 20 0 CBADRP O=C(CNC(=O)[C@H]1[NH2+]CC12CCCC2)N1CC[NH2+]CC1 ZINC000852824789 583556616 /nfs/dbraw/zinc/55/66/16/583556616.db2.gz BPRWAKVASYDBSM-GFCCVEGCSA-N 2 0 280.372 -0.933 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@H]1[NH2+]CC12CCCC2 ZINC000852824944 583556643 /nfs/dbraw/zinc/55/66/43/583556643.db2.gz CZTQDEOYJUYOLR-CYBMUJFWSA-N 2 0 280.416 -0.070 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000852846908 583559835 /nfs/dbraw/zinc/55/98/35/583559835.db2.gz LMMIBXVJFQMMSX-CYBMUJFWSA-N 2 0 274.384 -0.312 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000852854314 583561046 /nfs/dbraw/zinc/56/10/46/583561046.db2.gz DJWLERURCPOYFL-CYBMUJFWSA-N 2 0 288.367 -0.834 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)NCCC[NH+]2CCCC2)=NO1 ZINC000852856256 583561554 /nfs/dbraw/zinc/56/15/54/583561554.db2.gz WXQDSDLVIBHDLH-SNVBAGLBSA-N 2 0 254.334 -0.308 20 0 CBADRP CC[NH+]1CCC(NC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852854996 583561570 /nfs/dbraw/zinc/56/15/70/583561570.db2.gz SUJJMKXYUXZYCX-JTQLQIEISA-N 2 0 254.334 -0.310 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[C@H]([NH3+])C1CC1 ZINC000852855587 583561604 /nfs/dbraw/zinc/56/16/04/583561604.db2.gz GDBNLZHISMAWLC-LBPRGKRZSA-N 2 0 284.404 -0.408 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C2=NO[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000852857218 583561751 /nfs/dbraw/zinc/56/17/51/583561751.db2.gz MKENERINELXXBC-TUAOUCFPSA-N 2 0 298.387 -0.295 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852860133 583562114 /nfs/dbraw/zinc/56/21/14/583562114.db2.gz KXMRKYBHEFZYPE-ZJUUUORDSA-N 2 0 254.334 -0.452 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)=NO1 ZINC000852860811 583562459 /nfs/dbraw/zinc/56/24/59/583562459.db2.gz VIPZMWOWCWOIDQ-ONGXEEELSA-N 2 0 266.345 -0.310 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)=NO1 ZINC000852860809 583562624 /nfs/dbraw/zinc/56/26/24/583562624.db2.gz VIPZMWOWCWOIDQ-KOLCDFICSA-N 2 0 266.345 -0.310 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852861783 583562946 /nfs/dbraw/zinc/56/29/46/583562946.db2.gz JPDWONYSXHDOIV-VHSXEESVSA-N 2 0 256.350 -0.064 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)=NO1 ZINC000852863121 583563268 /nfs/dbraw/zinc/56/32/68/583563268.db2.gz QPLCMYYMZFSRKK-WPRPVWTQSA-N 2 0 252.318 -0.557 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852864604 583563654 /nfs/dbraw/zinc/56/36/54/583563654.db2.gz BIVIPVHBSGIUKV-NXEZZACHSA-N 2 0 254.334 -0.357 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)=NO1 ZINC000852865406 583563932 /nfs/dbraw/zinc/56/39/32/583563932.db2.gz BPXQQEQGZRULBK-UHTWSYAYSA-N 2 0 296.371 -0.852 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852870544 583564791 /nfs/dbraw/zinc/56/47/91/583564791.db2.gz VQSKBMJETDQGPO-QWRGUYRKSA-N 2 0 268.361 -0.110 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)=NO1 ZINC000852869778 583564798 /nfs/dbraw/zinc/56/47/98/583564798.db2.gz LMARZHLLXYPCAW-VXGBXAGGSA-N 2 0 296.371 -0.729 20 0 CBADRP COC1CC[NH+](CCNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852870244 583564891 /nfs/dbraw/zinc/56/48/91/583564891.db2.gz QLVMZRPTFTVZAD-LLVKDONJSA-N 2 0 284.360 -0.683 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852872889 583565489 /nfs/dbraw/zinc/56/54/89/583565489.db2.gz SPCAHNNRFPLOOO-UBHAPETDSA-N 2 0 266.345 -0.311 20 0 CBADRP C[C@@]1(CNC(=O)C2=NO[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000852875624 583565824 /nfs/dbraw/zinc/56/58/24/583565824.db2.gz LPUGNCOYTGCYDU-JOYOIKCWSA-N 2 0 254.334 -0.404 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)=NO1 ZINC000852878827 583566352 /nfs/dbraw/zinc/56/63/52/583566352.db2.gz PYACFPIHOLSUCT-KXUCPTDWSA-N 2 0 252.318 -0.557 20 0 CBADRP CC(C)[C@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000852879107 583566375 /nfs/dbraw/zinc/56/63/75/583566375.db2.gz QLWDCIQGVUZMJN-GXSJLCMTSA-N 2 0 254.334 -0.454 20 0 CBADRP O=C(C=C1CC[NH2+]CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000852881250 583566917 /nfs/dbraw/zinc/56/69/17/583566917.db2.gz UCQWRDSANQZCKF-AWEZNQCLSA-N 2 0 278.400 -0.198 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000852881539 583567043 /nfs/dbraw/zinc/56/70/43/583567043.db2.gz MHOLHWTUKHECKS-HRDYMLBCSA-N 2 0 263.288 -0.536 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852886353 583568770 /nfs/dbraw/zinc/56/87/70/583568770.db2.gz KHRMBSVUZPLXKW-JTQLQIEISA-N 2 0 256.350 -0.110 20 0 CBADRP C[C@@H]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C[C@H]1C[NH3+] ZINC000852890374 583570104 /nfs/dbraw/zinc/57/01/04/583570104.db2.gz JIDDWFWBCKVNRR-OPRDCNLKSA-N 2 0 254.334 -0.467 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852903306 583572620 /nfs/dbraw/zinc/57/26/20/583572620.db2.gz YJLFAAIPZZOCNX-LLVKDONJSA-N 2 0 285.392 -0.910 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000852907759 583573654 /nfs/dbraw/zinc/57/36/54/583573654.db2.gz BRRZGHGKJPCYTF-AKJDGMEZSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC[C@H]1F ZINC000852918586 583574780 /nfs/dbraw/zinc/57/47/80/583574780.db2.gz FJKROQVIGJABDA-GMTAPVOTSA-N 2 0 259.325 -0.347 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000857109748 583665197 /nfs/dbraw/zinc/66/51/97/583665197.db2.gz NJYXUWRWIUABEF-RYUDHWBXSA-N 2 0 272.393 -0.130 20 0 CBADRP CCN(CC[NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000861572680 583771113 /nfs/dbraw/zinc/77/11/13/583771113.db2.gz WOSYGROAOWBZCK-NEPJUHHUSA-N 2 0 270.377 -0.160 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000861574833 583771285 /nfs/dbraw/zinc/77/12/85/583771285.db2.gz ZAXZNNXLVFMLGE-UMSGYPCISA-N 2 0 282.388 -0.101 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000861573128 583771303 /nfs/dbraw/zinc/77/13/03/583771303.db2.gz BENFFTURIZGBHI-SRVKXCTJSA-N 2 0 270.377 -0.162 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861592907 583771910 /nfs/dbraw/zinc/77/19/10/583771910.db2.gz WLSOPSXNIMZCDB-LLVKDONJSA-N 2 0 260.382 -0.057 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000861644898 583775002 /nfs/dbraw/zinc/77/50/02/583775002.db2.gz BCNJDSOEZRGAKC-YUMQZZPRSA-N 2 0 250.293 -0.028 20 0 CBADRP [NH3+]CCCOCCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000861646609 583775225 /nfs/dbraw/zinc/77/52/25/583775225.db2.gz SMXZBPVYRWUURR-VIFPVBQESA-N 2 0 280.319 -0.352 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC2(C1)CC[NH2+]CC2 ZINC000861687228 583777892 /nfs/dbraw/zinc/77/78/92/583777892.db2.gz KPGVVHAFOZKCIW-GFCCVEGCSA-N 2 0 282.388 -0.240 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000861744722 583783316 /nfs/dbraw/zinc/78/33/16/583783316.db2.gz ODCRIKAPOCVNPL-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861744210 583783358 /nfs/dbraw/zinc/78/33/58/583783358.db2.gz USKBGKQPECFBSC-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000861753204 583784194 /nfs/dbraw/zinc/78/41/94/583784194.db2.gz VEGTXKJRNMVEOT-GARJFASQSA-N 2 0 282.388 -0.467 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000861761184 583785052 /nfs/dbraw/zinc/78/50/52/583785052.db2.gz YLLOBXQMYINRER-QWRGUYRKSA-N 2 0 286.420 -0.116 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000861767048 583785345 /nfs/dbraw/zinc/78/53/45/583785345.db2.gz MPQYIBFLBXJJQX-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861779782 583786104 /nfs/dbraw/zinc/78/61/04/583786104.db2.gz CVHZGTKIZMSQSW-LBPRGKRZSA-N 2 0 286.420 -0.114 20 0 CBADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCOCC[NH2+]C ZINC000863543891 583845868 /nfs/dbraw/zinc/84/58/68/583845868.db2.gz FREJPFDADYDECB-WDEREUQCSA-N 2 0 259.350 -0.894 20 0 CBADRP O=C1OCCN1CCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000863551218 583846281 /nfs/dbraw/zinc/84/62/81/583846281.db2.gz DRQPOQVPGWALII-GFCCVEGCSA-N 2 0 271.361 -0.125 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000863750304 583852405 /nfs/dbraw/zinc/85/24/05/583852405.db2.gz LYIWVEWCSJYQKN-RYUDHWBXSA-N 2 0 284.404 -0.408 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000863757119 583853419 /nfs/dbraw/zinc/85/34/19/583853419.db2.gz CPOLJMGZPVBMLJ-GFCCVEGCSA-N 2 0 284.404 -0.264 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000863761956 583854257 /nfs/dbraw/zinc/85/42/57/583854257.db2.gz VOAXXDWUULMPKF-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000863761957 583854375 /nfs/dbraw/zinc/85/43/75/583854375.db2.gz VOAXXDWUULMPKF-OLZOCXBDSA-N 2 0 296.415 -0.264 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000864065358 583868103 /nfs/dbraw/zinc/86/81/03/583868103.db2.gz MADWPNLEOXNWGM-CZXHOFHRSA-N 2 0 269.389 -0.102 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCCNC1=O ZINC000865177228 583899670 /nfs/dbraw/zinc/89/96/70/583899670.db2.gz BRWYEWJHWSKDJT-LBPRGKRZSA-N 2 0 284.404 -0.536 20 0 CBADRP Cc1nc(N)nc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000866010787 583914401 /nfs/dbraw/zinc/91/44/01/583914401.db2.gz NFMZWOSTWIXMRQ-VXGBXAGGSA-N 2 0 293.419 -0.062 20 0 CBADRP Cn1ccnc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1=O ZINC000866011305 583914405 /nfs/dbraw/zinc/91/44/05/583914405.db2.gz YSNPYLNBOJPZKK-CHWSQXEVSA-N 2 0 293.415 -0.044 20 0 CBADRP CNC(=O)NC[C@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000866685171 583926989 /nfs/dbraw/zinc/92/69/89/583926989.db2.gz CPPQMKZKSREFFB-LLVKDONJSA-N 2 0 258.366 -0.255 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000866709154 583928007 /nfs/dbraw/zinc/92/80/07/583928007.db2.gz QNOATRIRAPONGB-ZOBORPQBSA-N 2 0 294.399 -0.147 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000866711471 583928010 /nfs/dbraw/zinc/92/80/10/583928010.db2.gz LIUCQOIXWBJLGE-ZOBORPQBSA-N 3 0 294.399 -0.147 20 0 CBADRP [NH3+]CC12CCC(CC1)N2S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000866793713 583932944 /nfs/dbraw/zinc/93/29/44/583932944.db2.gz HTPWLPTVAWIBOI-CXQJBGSLSA-N 2 0 289.401 -0.740 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868395137 583977398 /nfs/dbraw/zinc/97/73/98/583977398.db2.gz HBDOOLURMLLEIX-NEPJUHHUSA-N 2 0 282.388 -0.654 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CCC1(C)C ZINC000868404785 583977811 /nfs/dbraw/zinc/97/78/11/583977811.db2.gz GHVXKDPEXALZQC-LLVKDONJSA-N 2 0 282.388 -0.511 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868422287 583979120 /nfs/dbraw/zinc/97/91/20/583979120.db2.gz RMOKEPZSPNUNPT-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP [NH3+][C@H]1CC[C@H](C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000870932535 584021719 /nfs/dbraw/zinc/02/17/19/584021719.db2.gz HFDGKRLOSFFXKI-HAQNSBGRSA-N 2 0 254.378 -0.475 20 0 CBADRP [NH3+][C@H]1CC[C@@H](C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000870933877 584021736 /nfs/dbraw/zinc/02/17/36/584021736.db2.gz ZLVGEFDCTPKZDF-BETUJISGSA-N 2 0 268.405 -0.085 20 0 CBADRP CN1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@@H](C[NH3+])C1 ZINC000870938875 584022282 /nfs/dbraw/zinc/02/22/82/584022282.db2.gz VQJYVTOIMHROAT-TUAOUCFPSA-N 2 0 254.378 -0.395 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)CCC23CC(C2)C[NH2+]3)CCO1 ZINC000870940414 584022574 /nfs/dbraw/zinc/02/25/74/584022574.db2.gz IUYXJNPJSAPHIC-QWKFWESOSA-N 2 0 253.346 -0.295 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870953933 584022912 /nfs/dbraw/zinc/02/29/12/584022912.db2.gz SZXRPSRNBONOFW-XUJVJEKNSA-N 2 0 296.415 -0.408 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870983869 584024404 /nfs/dbraw/zinc/02/44/04/584024404.db2.gz YWMUKAXCIQTAEZ-OUAUKWLOSA-N 2 0 269.345 -0.571 20 0 CBADRP C[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000870983955 584024465 /nfs/dbraw/zinc/02/44/65/584024465.db2.gz DWHFBDFEWSDMMA-PWSUYJOCSA-N 2 0 255.362 -0.131 20 0 CBADRP COCCN(C)C(=[NH2+])NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000871604111 584043405 /nfs/dbraw/zinc/04/34/05/584043405.db2.gz TYLURUQGOMXNEC-ZDUSSCGKSA-N 2 0 285.436 -0.028 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000871815601 584046225 /nfs/dbraw/zinc/04/62/25/584046225.db2.gz KZUHDFVLCSAYJG-NWDGAFQWSA-N 2 0 275.418 -0.191 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)CC(C)(C)O ZINC000872200984 584049972 /nfs/dbraw/zinc/04/99/72/584049972.db2.gz QIQFLCJFSGMOEC-CHWSQXEVSA-N 2 0 273.421 -0.266 20 0 CBADRP CON(C)C(=O)CC[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000872219351 584050996 /nfs/dbraw/zinc/05/09/96/584050996.db2.gz YZGLQSRYYXJZGR-NSHDSACASA-N 2 0 273.377 -0.169 20 0 CBADRP C[C@H](O)[C@@H](O)C[NH2+]C[C@H](O)CN(C)Cc1ccccc1 ZINC000872225380 584051220 /nfs/dbraw/zinc/05/12/20/584051220.db2.gz JGJXZXPJOWIDJH-QEJZJMRPSA-N 2 0 282.384 -0.189 20 0 CBADRP Cn1ccc(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)n1 ZINC000872254355 584052382 /nfs/dbraw/zinc/05/23/82/584052382.db2.gz AOAQNYSNLHSIKS-XQQFMLRXSA-N 2 0 291.355 -0.213 20 0 CBADRP COC[C@@]1(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C[NH2+]CCO1 ZINC000872263891 584052760 /nfs/dbraw/zinc/05/27/60/584052760.db2.gz VCKADUXUAMEUCP-QLFBSQMISA-N 2 0 297.399 -0.551 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872277357 584053098 /nfs/dbraw/zinc/05/30/98/584053098.db2.gz YQNOATULJUANKM-MNOVXSKESA-N 2 0 256.394 -0.230 20 0 CBADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000872299487 584054920 /nfs/dbraw/zinc/05/49/20/584054920.db2.gz LGNQOVKNMWJCRC-GRYCIOLGSA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CC[NH2+]CCC1(C)C ZINC000872301889 584054974 /nfs/dbraw/zinc/05/49/74/584054974.db2.gz WRKIDFXURCORGN-LLVKDONJSA-N 2 0 256.394 -0.134 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000873250956 584069180 /nfs/dbraw/zinc/06/91/80/584069180.db2.gz UCIXNQSDYHWDOG-JFGNBEQYSA-N 2 0 255.318 -0.323 20 0 CBADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000873248558 584069261 /nfs/dbraw/zinc/06/92/61/584069261.db2.gz GJRBQHVUDZYRAJ-WCQYABFASA-N 2 0 287.360 -0.449 20 0 CBADRP C[C@H](CC(N)=O)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873289123 584070413 /nfs/dbraw/zinc/07/04/13/584070413.db2.gz FPBNVSJYRMIWOD-MNOVXSKESA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@H](CC(N)=O)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873289122 584070439 /nfs/dbraw/zinc/07/04/39/584070439.db2.gz FPBNVSJYRMIWOD-GHMZBOCLSA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)C[NH+]2CCCC2)CC1 ZINC000873833585 584074376 /nfs/dbraw/zinc/07/43/76/584074376.db2.gz QBXNEQPKLRWUFW-UHFFFAOYSA-N 2 0 268.405 -0.164 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876503072 584129810 /nfs/dbraw/zinc/12/98/10/584129810.db2.gz YFHFDMZCIKHJOM-NWDGAFQWSA-N 2 0 272.368 -0.655 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876511020 584130280 /nfs/dbraw/zinc/13/02/80/584130280.db2.gz TUPGJESPABWGEF-OCCSQVGLSA-N 2 0 266.389 -0.460 20 0 CBADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCCN1CC[NH2+]CC1 ZINC000876510599 584130322 /nfs/dbraw/zinc/13/03/22/584130322.db2.gz OLESWTXNLQHUAR-SCOBNMCVSA-N 2 0 266.389 -0.436 20 0 CBADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCC(=O)N1CC[NH2+]CC1 ZINC000876511549 584130339 /nfs/dbraw/zinc/13/03/39/584130339.db2.gz MCTLSCOYHWTESC-MVZIDQBPSA-N 2 0 280.372 -0.910 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]([NH3+])c2ccccc2)C[NH2+]CCO1 ZINC000876525438 584131083 /nfs/dbraw/zinc/13/10/83/584131083.db2.gz JZJXAOQPEUIECI-ZFWWWQNUSA-N 2 0 293.367 -0.192 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000876526434 584131230 /nfs/dbraw/zinc/13/12/30/584131230.db2.gz TYSCFDQKBSXUKU-UHFFFAOYSA-N 2 0 280.416 -0.118 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876525918 584131289 /nfs/dbraw/zinc/13/12/89/584131289.db2.gz MRXINKYPADOERF-VXGBXAGGSA-N 2 0 272.368 -0.702 20 0 CBADRP COC[C@@]1(C(=O)NCC[C@H]2CC[NH2+]C2)C[NH2+]CCO1 ZINC000876526429 584131306 /nfs/dbraw/zinc/13/13/06/584131306.db2.gz TWIBDDMSZGFGDZ-DGCLKSJQSA-N 2 0 271.361 -0.893 20 0 CBADRP COC[C@]1(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)C[NH2+]CCO1 ZINC000876534076 584131815 /nfs/dbraw/zinc/13/18/15/584131815.db2.gz NWVITVFORVHRJV-BZPMIXESSA-N 2 0 285.388 -0.423 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)C[NH2+]CCO1 ZINC000876533808 584131848 /nfs/dbraw/zinc/13/18/48/584131848.db2.gz WKOMWQSUBJQMRY-GVXVVHGQSA-N 2 0 271.361 -0.813 20 0 CBADRP CN1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000876542753 584132694 /nfs/dbraw/zinc/13/26/94/584132694.db2.gz SREWDNNTXYHRNT-AIMRDXAKSA-N 2 0 266.389 -0.357 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CCO1 ZINC000876543074 584132724 /nfs/dbraw/zinc/13/27/24/584132724.db2.gz DSHLEPJWNSOHBQ-XAVMHZPKSA-N 2 0 263.288 -0.599 20 0 CBADRP COC[C@@]1(C(=O)NCC[N@@H+]2CCCC[C@H]2C)C[NH2+]CCO1 ZINC000876722631 584140782 /nfs/dbraw/zinc/14/07/82/584140782.db2.gz AJLXYBULVMRABT-UKRRQHHQSA-N 2 0 299.415 -0.018 20 0 CBADRP COC[C@]1(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)C[NH2+]CCO1 ZINC000876723176 584140880 /nfs/dbraw/zinc/14/08/80/584140880.db2.gz ORPMLUUUWVUIDE-ZFWWWQNUSA-N 2 0 299.415 -0.161 20 0 CBADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000876723624 584140993 /nfs/dbraw/zinc/14/09/93/584140993.db2.gz VTCZNYDSAALUKR-NEPJUHHUSA-N 2 0 256.394 -0.134 20 0 CBADRP COC[C@@]1(C(=O)N[C@H](C)C[NH+]2CCCCC2)C[NH2+]CCO1 ZINC000876723715 584141053 /nfs/dbraw/zinc/14/10/53/584141053.db2.gz GEKWTAJYDRDTQQ-UKRRQHHQSA-N 2 0 299.415 -0.018 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[NH2+]CCO1 ZINC000876729552 584141307 /nfs/dbraw/zinc/14/13/07/584141307.db2.gz QOGQBKKKGJVWTF-IPYPFGDCSA-N 2 0 297.399 -0.266 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H](C2CC2)[NH+](C)C)C[NH2+]CCO1 ZINC000876731706 584141693 /nfs/dbraw/zinc/14/16/93/584141693.db2.gz SVSGEKKRWMUQOK-JSGCOSHPSA-N 2 0 285.388 -0.552 20 0 CBADRP [NH3+]C[C@]1(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCOC1 ZINC000876743776 584141968 /nfs/dbraw/zinc/14/19/68/584141968.db2.gz IMKIHGQROBSONG-VNHYZAJKSA-N 2 0 297.399 -0.279 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[NH2+]CCO1 ZINC000876750751 584142239 /nfs/dbraw/zinc/14/22/39/584142239.db2.gz SBRIRURVTBAIOV-ZFWWWQNUSA-N 2 0 297.399 -0.312 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@]1(COC)C[NH2+]CCO1)C(C)C ZINC000876750051 584142247 /nfs/dbraw/zinc/14/22/47/584142247.db2.gz SLSPOBDYKPMBNM-AWEZNQCLSA-N 2 0 287.404 -0.162 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000876754141 584142766 /nfs/dbraw/zinc/14/27/66/584142766.db2.gz PTAYZOSJFQHQGQ-GRYCIOLGSA-N 2 0 255.362 -0.219 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)C1 ZINC000876754149 584142871 /nfs/dbraw/zinc/14/28/71/584142871.db2.gz CBDRGYSGLBQMBL-GRYCIOLGSA-N 2 0 273.352 -0.229 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H](N)C[NH+](C)C ZINC000876766084 584143276 /nfs/dbraw/zinc/14/32/76/584143276.db2.gz APLISPSEWROFOG-RYUDHWBXSA-N 2 0 256.394 -0.134 20 0 CBADRP COC[C@]1(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[NH2+]CCO1 ZINC000876772851 584143816 /nfs/dbraw/zinc/14/38/16/584143816.db2.gz SMCNNMQYGIUJML-GUTXKFCHSA-N 2 0 299.415 -0.068 20 0 CBADRP C[NH+]1CCN(CCNC(=O)/C=C\[C@H]2CCC[NH2+]C2)CC1 ZINC000876780273 584144173 /nfs/dbraw/zinc/14/41/73/584144173.db2.gz DKSOTECTHVLTQC-ZRUQZJFASA-N 2 0 280.416 -0.094 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C[NH2+]CCO1 ZINC000876783358 584144179 /nfs/dbraw/zinc/14/41/79/584144179.db2.gz ZXXZEFLWXCXCRU-LNSITVRQSA-N 2 0 297.399 -0.410 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C[NH2+]CCO1 ZINC000876783357 584144209 /nfs/dbraw/zinc/14/42/09/584144209.db2.gz ZXXZEFLWXCXCRU-KYOSRNDESA-N 2 0 297.399 -0.410 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876783114 584144223 /nfs/dbraw/zinc/14/42/23/584144223.db2.gz ZYLREVHSOHTQHR-VWYCJHECSA-N 2 0 290.358 -0.422 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876781673 584144271 /nfs/dbraw/zinc/14/42/71/584144271.db2.gz QLVPSRBFQSYLDJ-NEPJUHHUSA-N 2 0 268.405 -0.277 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876784050 584144649 /nfs/dbraw/zinc/14/46/49/584144649.db2.gz VPACREMOVNBGPB-IJLUTSLNSA-N 2 0 268.405 -0.278 20 0 CBADRP C[C@]1(C(=O)N2CCC3(C2)CC[NH2+]CC3)C[NH2+]CCO1 ZINC000876793353 584145176 /nfs/dbraw/zinc/14/51/76/584145176.db2.gz MNMHUYQVUBWKBW-CYBMUJFWSA-N 2 0 267.373 -0.033 20 0 CBADRP COC[C@@]1(C(=O)NCC2=CC[NH2+]CC2)C[NH2+]CCO1 ZINC000876808729 584147184 /nfs/dbraw/zinc/14/71/84/584147184.db2.gz AMDIROPYPGXWTM-CYBMUJFWSA-N 2 0 269.345 -0.973 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)CCO1 ZINC000876807589 584147204 /nfs/dbraw/zinc/14/72/04/584147204.db2.gz HBBYAUMJLLKANB-RRNNCXACSA-N 2 0 253.346 -0.272 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C[NH2+]CCO1 ZINC000876831311 584148076 /nfs/dbraw/zinc/14/80/76/584148076.db2.gz XFXDBMALVXLRFS-WZRBSPASSA-N 2 0 271.361 -0.894 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000876836938 584148300 /nfs/dbraw/zinc/14/83/00/584148300.db2.gz LCIVXSPEHCZDDM-ZYHUDNBSSA-N 2 0 259.350 -0.894 20 0 CBADRP COC[C@@]1(C(=O)N2CCC[C@@H](CC[NH3+])C2)C[NH2+]CCO1 ZINC000876838462 584148451 /nfs/dbraw/zinc/14/84/51/584148451.db2.gz QYZZDIHCQLDRLK-GXTWGEPZSA-N 2 0 285.388 -0.421 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@](C)(C[NH3+])C2)C[NH2+]CCO1 ZINC000876839820 584148459 /nfs/dbraw/zinc/14/84/59/584148459.db2.gz AKEPBWLXQORROV-OLZOCXBDSA-N 2 0 271.361 -0.811 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000876841619 584148542 /nfs/dbraw/zinc/14/85/42/584148542.db2.gz BMAXFWPLQLRHSM-MDZLAQPJSA-N 2 0 253.346 -0.295 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C[NH2+]CCO1 ZINC000876842784 584148729 /nfs/dbraw/zinc/14/87/29/584148729.db2.gz LGEFMTQCBLLVQW-KBPBESRZSA-N 2 0 267.373 -0.033 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000876846509 584149206 /nfs/dbraw/zinc/14/92/06/584149206.db2.gz CFKKQOZCLPTUFF-YNEHKIRRSA-N 2 0 280.416 -0.134 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876847300 584149216 /nfs/dbraw/zinc/14/92/16/584149216.db2.gz BLLYAWKDBKSDIE-JMSVASOKSA-N 2 0 295.383 -0.118 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000876847919 584149465 /nfs/dbraw/zinc/14/94/65/584149465.db2.gz OIODUIIORBKQPO-FKPKYRGISA-N 2 0 292.427 -0.096 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000876851034 584149629 /nfs/dbraw/zinc/14/96/29/584149629.db2.gz CBIIPQICNPAHFF-SRVKXCTJSA-N 2 0 256.394 -0.243 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CCC12CC(C1)C[NH2+]2 ZINC000876849704 584149757 /nfs/dbraw/zinc/14/97/57/584149757.db2.gz WMIKPSPPSYAXCA-AVERBVTBSA-N 2 0 295.383 -0.118 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1(F)F ZINC000876856553 584150222 /nfs/dbraw/zinc/15/02/22/584150222.db2.gz PMMQQCNNTNFRAS-RULNZFCNSA-N 2 0 251.252 -0.357 20 0 CBADRP C[C@]1(C(=O)N[C@H]2C[NH2+]CCC2(F)F)C[NH2+]CCO1 ZINC000876866580 584151032 /nfs/dbraw/zinc/15/10/32/584151032.db2.gz VHJLNYWQWJWCNU-WCBMZHEXSA-N 2 0 263.288 -0.522 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C[NH2+]CCO1 ZINC000876866275 584151099 /nfs/dbraw/zinc/15/10/99/584151099.db2.gz RSUGEGGRDXMXHZ-MWLCHTKSSA-N 2 0 293.314 -0.895 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000876866993 584151331 /nfs/dbraw/zinc/15/13/31/584151331.db2.gz ZRCPBZPTRCKJLA-VIFPVBQESA-N 2 0 262.304 -0.995 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000876869767 584151509 /nfs/dbraw/zinc/15/15/09/584151509.db2.gz HLSQZBSBPPMKPN-OUAUKWLOSA-N 2 0 255.362 -0.146 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000876884678 584153046 /nfs/dbraw/zinc/15/30/46/584153046.db2.gz RONNFFCTRZKIAH-WOPDTQHZSA-N 2 0 256.394 -0.326 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000876883455 584153123 /nfs/dbraw/zinc/15/31/23/584153123.db2.gz HUPXCSOHOGMBBE-NEPJUHHUSA-N 2 0 256.394 -0.182 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000876885254 584153153 /nfs/dbraw/zinc/15/31/53/584153153.db2.gz KNAFNLSOYJOJIO-AVGNSLFASA-N 2 0 268.405 -0.182 20 0 CBADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NC[C@H]1C[NH2+]CCO1 ZINC000876916438 584155074 /nfs/dbraw/zinc/15/50/74/584155074.db2.gz BMTNRVXJAZXWLX-HEKLCECKSA-N 2 0 253.346 -0.353 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000876924447 584155947 /nfs/dbraw/zinc/15/59/47/584155947.db2.gz NBGXBZXFEAQJDZ-YUTCNCBUSA-N 2 0 294.374 -0.032 20 0 CBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000876926958 584156242 /nfs/dbraw/zinc/15/62/42/584156242.db2.gz MHIIATQRTDIFTH-ZJUUUORDSA-N 2 0 255.362 -0.328 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000876940484 584157041 /nfs/dbraw/zinc/15/70/41/584157041.db2.gz VXWJKEAPXUTJAP-WDEREUQCSA-N 2 0 254.378 -0.334 20 0 CBADRP COC[C@@]1(C(=O)NCCC2(C[NH3+])CC2)C[NH2+]CCO1 ZINC000876947435 584157361 /nfs/dbraw/zinc/15/73/61/584157361.db2.gz HCOCDJYMBXKTCF-CYBMUJFWSA-N 2 0 271.361 -0.763 20 0 CBADRP COC[C@]1(C(=O)N2CCC(CC[NH3+])CC2)C[NH2+]CCO1 ZINC000876948246 584157618 /nfs/dbraw/zinc/15/76/18/584157618.db2.gz JPOCBCKQTCDLAC-AWEZNQCLSA-N 2 0 285.388 -0.421 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[NH2+]CCO1 ZINC000876953166 584157781 /nfs/dbraw/zinc/15/77/81/584157781.db2.gz ZRKUMHJSAHKLLU-SCRDCRAPSA-N 2 0 285.388 -0.552 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000876950651 584157790 /nfs/dbraw/zinc/15/77/90/584157790.db2.gz RMFFTUNKTLXZPX-FQUUOJAGSA-N 2 0 298.431 -0.237 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)CCO1 ZINC000876980512 584159632 /nfs/dbraw/zinc/15/96/32/584159632.db2.gz GGQLLLPCPCTLPA-OLZOCXBDSA-N 2 0 286.420 -0.556 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCNC(=O)C1 ZINC000877011561 584161773 /nfs/dbraw/zinc/16/17/73/584161773.db2.gz FYGYISBNJBGJEZ-STQMWFEESA-N 2 0 268.405 -0.119 20 0 CBADRP C[NH2+]CCOCCNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000877023778 584161974 /nfs/dbraw/zinc/16/19/74/584161974.db2.gz FCQOEXULZQKODE-ITKZLYELSA-N 2 0 255.362 -0.106 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000877054495 584164266 /nfs/dbraw/zinc/16/42/66/584164266.db2.gz IJAKHYIDDDWCRD-YUMQZZPRSA-N 2 0 251.277 -0.740 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000877054723 584164295 /nfs/dbraw/zinc/16/42/95/584164295.db2.gz KWDHTNCMGJRETL-LBPRGKRZSA-N 2 0 278.356 -0.004 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CCCCC[C@@H]([NH3+])C2)=NO1 ZINC000877126186 584167526 /nfs/dbraw/zinc/16/75/26/584167526.db2.gz ZCGGRHSCQOIDBQ-NXEZZACHSA-N 2 0 254.334 -0.180 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877152018 584168189 /nfs/dbraw/zinc/16/81/89/584168189.db2.gz XQFVXEPWBFIEOX-MNOVXSKESA-N 2 0 256.394 -0.230 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C[NH2+]CCO1 ZINC000877151643 584168210 /nfs/dbraw/zinc/16/82/10/584168210.db2.gz OVWFXCAZOLTMRE-DOMZBBRYSA-N 2 0 299.415 -0.114 20 0 CBADRP C[C@@]1(C(=O)N2C3CCC2(C[NH3+])CC3)C[NH2+]CCO1 ZINC000877184657 584169690 /nfs/dbraw/zinc/16/96/90/584169690.db2.gz PTWLPHPPHKNTBF-YDGIUTOCSA-N 2 0 253.346 -0.153 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000877188300 584169900 /nfs/dbraw/zinc/16/99/00/584169900.db2.gz YMJJGYJEZHMZOI-AVERBVTBSA-N 2 0 294.399 -0.273 20 0 CBADRP CC(C)[NH+]1CCC(CCNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000877201345 584170501 /nfs/dbraw/zinc/17/05/01/584170501.db2.gz XKLLSFRDZDIMFT-UHFFFAOYSA-N 2 0 269.389 -0.053 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]CCO1 ZINC000877246123 584172252 /nfs/dbraw/zinc/17/22/52/584172252.db2.gz PHTHJGMUULVMJS-QVHKTLOISA-N 2 0 297.399 -0.362 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3OCC[C@@H]3[NH3+])CC[C@@H]21 ZINC000877251114 584172944 /nfs/dbraw/zinc/17/29/44/584172944.db2.gz YOSYHDGZOOWJQG-FIQHERPVSA-N 2 0 253.346 -0.345 20 0 CBADRP C[C@@H](NC(=O)[C@]1(C)C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000877254596 584173347 /nfs/dbraw/zinc/17/33/47/584173347.db2.gz YFXCCVABXUTJRS-MFKMUULPSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@@H](NC(=O)[C@@]1(C)C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000877254598 584173357 /nfs/dbraw/zinc/17/33/57/584173357.db2.gz YFXCCVABXUTJRS-ZWNOBZJWSA-N 2 0 255.362 -0.131 20 0 CBADRP COCCC1(NC(=O)[C@H]2C[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC000877268572 584174139 /nfs/dbraw/zinc/17/41/39/584174139.db2.gz KQOCZCDEHPHXIQ-XYPYZODXSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H]([NH3+])CC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877327453 584178581 /nfs/dbraw/zinc/17/85/81/584178581.db2.gz SWCJYZPVFWDMJT-GHMZBOCLSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877331657 584178809 /nfs/dbraw/zinc/17/88/09/584178809.db2.gz PKFYCMXGQURNDY-QWRGUYRKSA-N 2 0 255.362 -0.144 20 0 CBADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1C[NH2+]CCO1 ZINC000877330835 584178811 /nfs/dbraw/zinc/17/88/11/584178811.db2.gz HRDFYMFHMVMJEQ-NWDGAFQWSA-N 2 0 283.372 -0.750 20 0 CBADRP C[C@H](C[NH3+])C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877331656 584178830 /nfs/dbraw/zinc/17/88/30/584178830.db2.gz PKFYCMXGQURNDY-MNOVXSKESA-N 2 0 255.362 -0.144 20 0 CBADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877330840 584178840 /nfs/dbraw/zinc/17/88/40/584178840.db2.gz HUPMCABPLUKZKR-WUHRBBMRSA-N 2 0 279.384 -0.273 20 0 CBADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@]1(F)CC[NH2+]C1 ZINC000877335652 584178842 /nfs/dbraw/zinc/17/88/42/584178842.db2.gz DDPRPHBOGSAEBJ-FZMZJTMJSA-N 2 0 285.363 -0.037 20 0 CBADRP [NH3+]CCOCC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877346609 584179354 /nfs/dbraw/zinc/17/93/54/584179354.db2.gz FNLHHPMMWFCEDX-CYBMUJFWSA-N 2 0 263.341 -0.208 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877361220 584179569 /nfs/dbraw/zinc/17/95/69/584179569.db2.gz RQZNODTYIAAQIE-VGMNWLOBSA-N 2 0 283.294 -0.054 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@]1(C[NH3+])CCCOC1)C2 ZINC000877371034 584179758 /nfs/dbraw/zinc/17/97/58/584179758.db2.gz KCSYXXLZSXIERE-IACUBPJLSA-N 2 0 267.373 -0.190 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H]1CCO[C@@H]1C[NH3+])C2 ZINC000877372841 584179907 /nfs/dbraw/zinc/17/99/07/584179907.db2.gz QFEFLPULXILGAP-MEWQQHAOSA-N 2 0 253.346 -0.582 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000877372183 584179979 /nfs/dbraw/zinc/17/99/79/584179979.db2.gz WUCOJOKCNQAWPY-OIMNJJJWSA-N 2 0 267.373 -0.179 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)nn1 ZINC000877388198 584180436 /nfs/dbraw/zinc/18/04/36/584180436.db2.gz XGHYSAHFIKNREA-DGCLKSJQSA-N 2 0 278.360 -0.359 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391068 584180542 /nfs/dbraw/zinc/18/05/42/584180542.db2.gz MJIRICIOTQVQOP-JKOKRWQUSA-N 2 0 282.388 -0.513 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)C[NH2+]CCO1 ZINC000877451450 584182210 /nfs/dbraw/zinc/18/22/10/584182210.db2.gz MLQXUMHYSUDQCY-GUTXKFCHSA-N 2 0 297.399 -0.314 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000877451592 584182242 /nfs/dbraw/zinc/18/22/42/584182242.db2.gz RTMCRSAWKQRAKN-SDDRHHMPSA-N 2 0 283.372 -0.038 20 0 CBADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000877450821 584182286 /nfs/dbraw/zinc/18/22/86/584182286.db2.gz GDUALWWLFOFSFZ-JLNYLFASSA-N 2 0 279.384 -0.083 20 0 CBADRP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878052600 584191542 /nfs/dbraw/zinc/19/15/42/584191542.db2.gz NKJWXTZPJVOJCY-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H](CO)[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@H](C)O ZINC000878486857 584205202 /nfs/dbraw/zinc/20/52/02/584205202.db2.gz ISNZMIKXXBVVDQ-NEPJUHHUSA-N 2 0 287.404 -0.740 20 0 CBADRP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)CC1(CO)CC1 ZINC000878482371 584205376 /nfs/dbraw/zinc/20/53/76/584205376.db2.gz PKURHURQNNIAQV-UHFFFAOYSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@H+](CCCCO)CC(=O)NC1CC[NH+](C)CC1 ZINC000878495904 584205957 /nfs/dbraw/zinc/20/59/57/584205957.db2.gz XCZOXRRSPPWDLU-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](O)C(C)(C)C2)CC1 ZINC000878532633 584206997 /nfs/dbraw/zinc/20/69/97/584206997.db2.gz UYHHHAXMWRUTFK-LBPRGKRZSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000878543558 584207543 /nfs/dbraw/zinc/20/75/43/584207543.db2.gz GALTXAPYOYIFKD-CQSZACIVSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@@H]1C[C@H](O)C[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878691076 584213971 /nfs/dbraw/zinc/21/39/71/584213971.db2.gz JXXKDPDXWVDZCT-YPMHNXCESA-N 2 0 269.389 -0.101 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580327 584241705 /nfs/dbraw/zinc/24/17/05/584241705.db2.gz SNQXOZQYBLCZPE-KKUMJFAQSA-N 2 0 285.432 -0.049 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1C[C@@H]2CCC[NH+]2C[C@@H]1CO ZINC000880072648 584261032 /nfs/dbraw/zinc/26/10/32/584261032.db2.gz GAIIZVWWLLXNKQ-BFHYXJOUSA-N 2 0 271.405 -0.560 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+](C)CCOC ZINC000883298790 584339396 /nfs/dbraw/zinc/33/93/96/584339396.db2.gz CDYVFMJAMAEBCI-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000883385213 584340922 /nfs/dbraw/zinc/34/09/22/584340922.db2.gz HKVGQAHLHJASKJ-STQMWFEESA-N 2 0 283.420 -0.374 20 0 CBADRP c1nnnn1CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000883428134 584341748 /nfs/dbraw/zinc/34/17/48/584341748.db2.gz MNEXXLKEMSBPRH-LBPRGKRZSA-N 2 0 250.350 -0.005 20 0 CBADRP c1nnnn1CC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000883429378 584342005 /nfs/dbraw/zinc/34/20/05/584342005.db2.gz TVISYXPPQNLZCJ-NEPJUHHUSA-N 2 0 250.350 -0.005 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCn3cnnn3)CC2)C1 ZINC000883432885 584342317 /nfs/dbraw/zinc/34/23/17/584342317.db2.gz CNPSLWDQKWROOZ-CHWSQXEVSA-N 2 0 280.376 -0.109 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCn3cnnn3)C2)C1 ZINC000883434724 584342342 /nfs/dbraw/zinc/34/23/42/584342342.db2.gz ZMFCTHUOAMFCOY-JHJVBQTASA-N 2 0 280.376 -0.109 20 0 CBADRP O=C(CC[N@@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21)N1CC[NH2+]CC1 ZINC000883462221 584343159 /nfs/dbraw/zinc/34/31/59/584343159.db2.gz MILOLRGFBQZWEU-TZMCWYRMSA-N 2 0 294.399 -0.591 20 0 CBADRP O=C(CC[N@@H+]1CCC[C@H]2CCNC(=O)[C@@H]21)N1CC[NH2+]CC1 ZINC000883462218 584343233 /nfs/dbraw/zinc/34/32/33/584343233.db2.gz MILOLRGFBQZWEU-GXTWGEPZSA-N 2 0 294.399 -0.591 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000884014924 584355593 /nfs/dbraw/zinc/35/55/93/584355593.db2.gz BLITYJXJKMFTIV-NSHDSACASA-N 2 0 254.378 -0.747 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000884020096 584355911 /nfs/dbraw/zinc/35/59/11/584355911.db2.gz NHYXCPREXGJWAB-NEPJUHHUSA-N 2 0 296.415 -0.455 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000884016253 584355914 /nfs/dbraw/zinc/35/59/14/584355914.db2.gz QYUREKYCKDEQFU-NSHDSACASA-N 2 0 270.377 -0.832 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000884020395 584356122 /nfs/dbraw/zinc/35/61/22/584356122.db2.gz XGOKBMXOPAYAOK-OLZOCXBDSA-N 2 0 298.431 -0.066 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000884020801 584356179 /nfs/dbraw/zinc/35/61/79/584356179.db2.gz JZHCEUPAUSJINZ-LBPRGKRZSA-N 2 0 251.330 -0.222 20 0 CBADRP CN(CCC[NH3+])C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884035837 584356581 /nfs/dbraw/zinc/35/65/81/584356581.db2.gz JIPKLWSBVDHGMI-UHFFFAOYSA-N 2 0 277.372 -0.088 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000884041958 584357406 /nfs/dbraw/zinc/35/74/06/584357406.db2.gz LYOAGNXFBFAABN-NEPJUHHUSA-N 2 0 256.394 -0.278 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000884192226 584365266 /nfs/dbraw/zinc/36/52/66/584365266.db2.gz ZRTSZPRAXKZCRK-PWSUYJOCSA-N 2 0 275.418 -0.096 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884213780 584367599 /nfs/dbraw/zinc/36/75/99/584367599.db2.gz KYMQEHSBEPGVRM-RYUDHWBXSA-N 2 0 255.362 -0.049 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884213779 584367853 /nfs/dbraw/zinc/36/78/53/584367853.db2.gz KYMQEHSBEPGVRM-NWDGAFQWSA-N 2 0 255.362 -0.049 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000884233739 584368847 /nfs/dbraw/zinc/36/88/47/584368847.db2.gz XRLLODBDZMXRLT-LBPRGKRZSA-N 2 0 264.329 -0.296 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884234993 584369217 /nfs/dbraw/zinc/36/92/17/584369217.db2.gz KGZNLEJENPKKPZ-AAEUAGOBSA-N 2 0 268.405 -0.134 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000884238943 584369597 /nfs/dbraw/zinc/36/95/97/584369597.db2.gz KOUFIHNLUYUWCQ-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000884285621 584371832 /nfs/dbraw/zinc/37/18/32/584371832.db2.gz NZTVGUNLCGTDBS-CHWSQXEVSA-N 2 0 280.416 -0.262 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884286278 584372151 /nfs/dbraw/zinc/37/21/51/584372151.db2.gz AUSCCYJSVPAJLI-MNOVXSKESA-N 2 0 283.372 -0.405 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000884300720 584372793 /nfs/dbraw/zinc/37/27/93/584372793.db2.gz GCDOBTFUULDGBU-WOPDTQHZSA-N 2 0 255.362 -0.192 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000884308834 584373311 /nfs/dbraw/zinc/37/33/11/584373311.db2.gz FBOLKDDCEBPSBW-QWHCGFSZSA-N 2 0 287.404 -0.081 20 0 CBADRP COC1(C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)CC[NH2+]CC1 ZINC000884348239 584375708 /nfs/dbraw/zinc/37/57/08/584375708.db2.gz RNIBCEFTBJLQDV-VHSXEESVSA-N 2 0 255.362 -0.003 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000884358557 584376246 /nfs/dbraw/zinc/37/62/46/584376246.db2.gz SFUXEHFXLGJBIY-NEPJUHHUSA-N 2 0 268.405 -0.134 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000884363736 584376774 /nfs/dbraw/zinc/37/67/74/584376774.db2.gz HXQXXGYZKPXUQD-BREBYQMCSA-N 2 0 255.362 -0.016 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)C[NH2+]CCO1 ZINC000884365491 584376993 /nfs/dbraw/zinc/37/69/93/584376993.db2.gz KALRBTGEEYGPPM-BREBYQMCSA-N 2 0 271.361 -0.767 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884444354 584382037 /nfs/dbraw/zinc/38/20/37/584382037.db2.gz HVZLTTHGTFLQNJ-NSHDSACASA-N 2 0 277.372 -0.090 20 0 CBADRP CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000884486116 584384803 /nfs/dbraw/zinc/38/48/03/584384803.db2.gz OOFFMSIUEDZJSU-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000884545250 584387266 /nfs/dbraw/zinc/38/72/66/584387266.db2.gz BWZXWPFMGYSGTH-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884545488 584387299 /nfs/dbraw/zinc/38/72/99/584387299.db2.gz JCPORPKGBJSIPH-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884554373 584387811 /nfs/dbraw/zinc/38/78/11/584387811.db2.gz RYJLYVWCCRENMC-UZWSLXQKSA-N 2 0 294.399 -0.467 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[N@@H+]1C1CC1 ZINC000884553968 584387878 /nfs/dbraw/zinc/38/78/78/584387878.db2.gz KWAAOBOMLXGWPR-BLFANLJRSA-N 2 0 292.383 -0.700 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000884576641 584388775 /nfs/dbraw/zinc/38/87/75/584388775.db2.gz MKZPWZXJJISLSS-AVGNSLFASA-N 2 0 294.399 -0.593 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000884601612 584389751 /nfs/dbraw/zinc/38/97/51/584389751.db2.gz QLSYFGWKBBEAEF-TXEJJXNPSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000884623725 584391351 /nfs/dbraw/zinc/39/13/51/584391351.db2.gz MPSYAHJJNMSTPV-GMXVVIOVSA-N 2 0 294.399 -0.299 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884626197 584391653 /nfs/dbraw/zinc/39/16/53/584391653.db2.gz DFZVXOCAHGITHX-VOAKCMCISA-N 2 0 292.383 -0.698 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884626891 584391689 /nfs/dbraw/zinc/39/16/89/584391689.db2.gz YNKLDJFLNVMEBF-RWMBFGLXSA-N 2 0 294.399 -0.321 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000884631558 584392197 /nfs/dbraw/zinc/39/21/97/584392197.db2.gz OFOGQMHFXNIJRJ-KGYLQXTDSA-N 2 0 294.399 -0.465 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884650663 584392557 /nfs/dbraw/zinc/39/25/57/584392557.db2.gz QXPCJCBLLVLPQY-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884669806 584393681 /nfs/dbraw/zinc/39/36/81/584393681.db2.gz HMPKVGKZKOUYMF-RVMXOQNASA-N 2 0 292.383 -0.698 20 0 CBADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)NCC[NH3+])CC1 ZINC000884672760 584393979 /nfs/dbraw/zinc/39/39/79/584393979.db2.gz BTRNAWCYSQFIRB-UHFFFAOYSA-N 2 0 284.404 -0.312 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)NCCC[NH3+])CCC1(C)C ZINC000884673374 584394228 /nfs/dbraw/zinc/39/42/28/584394228.db2.gz VKUQMNMWLXONTN-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CCC1(C)C ZINC000884673817 584394511 /nfs/dbraw/zinc/39/45/11/584394511.db2.gz GUTGIVKNSJKALU-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884675906 584394960 /nfs/dbraw/zinc/39/49/60/584394960.db2.gz UUFYRBNNSDYYGT-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC[C@H]21 ZINC000884678755 584395444 /nfs/dbraw/zinc/39/54/44/584395444.db2.gz LSWZRDMAHKWYQD-JHJVBQTASA-N 2 0 294.399 -0.608 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884684778 584395947 /nfs/dbraw/zinc/39/59/47/584395947.db2.gz PIFSZRLJVUXVOL-AXFHLTTASA-N 2 0 268.361 -0.998 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000884686591 584396418 /nfs/dbraw/zinc/39/64/18/584396418.db2.gz PDQNZXGKMQGFAN-UHFFFAOYSA-N 2 0 284.404 -0.299 20 0 CBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NCC[NH2+]C)CC1 ZINC000884686957 584396456 /nfs/dbraw/zinc/39/64/56/584396456.db2.gz CTPAWCIUCYIQKH-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884687662 584396607 /nfs/dbraw/zinc/39/66/07/584396607.db2.gz DHKYVGDPTSKUJT-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC[C@H]21 ZINC000884687945 584396637 /nfs/dbraw/zinc/39/66/37/584396637.db2.gz NWEJECDKXDLMAR-FRRDWIJNSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884697982 584398371 /nfs/dbraw/zinc/39/83/71/584398371.db2.gz HWACFZFNNQXQHB-WOPDTQHZSA-N 2 0 282.388 -0.750 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884701587 584398597 /nfs/dbraw/zinc/39/85/97/584398597.db2.gz KZMMLFYKIGGDOZ-JHJVBQTASA-N 2 0 296.415 -0.362 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884705318 584399669 /nfs/dbraw/zinc/39/96/69/584399669.db2.gz PFJVQKYSFISWNM-DCAQKATOSA-N 2 0 268.361 -0.998 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000884728050 584401011 /nfs/dbraw/zinc/40/10/11/584401011.db2.gz HLKVIDGIOMXMHH-IALDZJHCSA-N 2 0 296.415 -0.077 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884739269 584401558 /nfs/dbraw/zinc/40/15/58/584401558.db2.gz IMKBZYXRGKHUEF-STQMWFEESA-N 2 0 296.415 -0.347 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884878582 584404793 /nfs/dbraw/zinc/40/47/93/584404793.db2.gz AYYVBTDIVYCNKL-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885196306 584409675 /nfs/dbraw/zinc/40/96/75/584409675.db2.gz AXNVLTCFRYDMID-UHFFFAOYSA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)C[NH+](C)[C@H]1CC[C@H]([N@@H+](C)CC(=O)NC)CC1 ZINC000886389341 584438721 /nfs/dbraw/zinc/43/87/21/584438721.db2.gz FSEZAOOPGAQHAX-HAQNSBGRSA-N 2 0 284.404 -0.347 20 0 CBADRP C[N@H+](CCO)CCNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000886968577 584452506 /nfs/dbraw/zinc/45/25/06/584452506.db2.gz IWXXXFYHGBLTMC-ZETCQYMHSA-N 2 0 272.271 -0.901 20 0 CBADRP C[N@H+](CCO)CCNC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000886965198 584452637 /nfs/dbraw/zinc/45/26/37/584452637.db2.gz SAQWIRHIOFQTCG-UHFFFAOYSA-N 2 0 293.371 -0.227 20 0 CBADRP C[N@H+](CCO)CCNC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000886967332 584452654 /nfs/dbraw/zinc/45/26/54/584452654.db2.gz XSYFRIIAQZTWFE-QMMMGPOBSA-N 2 0 286.298 -0.511 20 0 CBADRP CCN(C(=O)C(=O)N(C)CC[NH+]1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000887066240 584460989 /nfs/dbraw/zinc/46/09/89/584460989.db2.gz HMHGTSRXHVWYSS-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000887084951 584462733 /nfs/dbraw/zinc/46/27/33/584462733.db2.gz WQSBMSDFLHORND-LLVKDONJSA-N 2 0 270.377 -0.654 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000887087979 584463035 /nfs/dbraw/zinc/46/30/35/584463035.db2.gz GQIGUDFCOOTZRA-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP [NH3+][C@@H]1CCCN(Cc2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000887423290 584467558 /nfs/dbraw/zinc/46/75/58/584467558.db2.gz QNTKTSPRPWRJQS-VXGBXAGGSA-N 2 0 264.377 -0.047 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)C1 ZINC000889754859 584535614 /nfs/dbraw/zinc/53/56/14/584535614.db2.gz GQKSZMVKNXMDJU-BFHYXJOUSA-N 2 0 281.400 -0.004 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000890070399 584541191 /nfs/dbraw/zinc/54/11/91/584541191.db2.gz YBYGDVUPRIWDIU-GFCCVEGCSA-N 2 0 284.404 -0.164 20 0 CBADRP COCC[NH+]1CCC(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000891440575 584581774 /nfs/dbraw/zinc/58/17/74/584581774.db2.gz YJHQTULKXQBTNR-STQMWFEESA-N 2 0 282.388 -0.147 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000891514652 584583500 /nfs/dbraw/zinc/58/35/00/584583500.db2.gz WDVKOUHNKADCON-JHJVBQTASA-N 2 0 282.388 -0.018 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891514441 584583660 /nfs/dbraw/zinc/58/36/60/584583660.db2.gz RPIGAMCKRASOHN-RQJABVFESA-N 2 0 294.399 -0.005 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000891527795 584584288 /nfs/dbraw/zinc/58/42/88/584584288.db2.gz LOLJSXUKZDIFAQ-AGIUHOORSA-N 2 0 283.420 -0.247 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891527841 584584353 /nfs/dbraw/zinc/58/43/53/584584353.db2.gz MBOYVIJIJMYBCN-MELADBBJSA-N 2 0 295.431 -0.232 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCC(C)(C)[NH3+] ZINC000891540796 584584749 /nfs/dbraw/zinc/58/47/49/584584749.db2.gz XQTHAMUPOGBXEG-NSHDSACASA-N 2 0 271.409 -0.341 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000891576877 584587040 /nfs/dbraw/zinc/58/70/40/584587040.db2.gz OTPSZAXHKWKVQU-GZBFAFLISA-N 2 0 296.415 -0.042 20 0 CBADRP C[C@H](CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C[NH+]1CCN(C)CC1 ZINC000891604060 584587810 /nfs/dbraw/zinc/58/78/10/584587810.db2.gz VPOQODCVCPGIIV-RDBSUJKOSA-N 2 0 295.431 -0.374 20 0 CBADRP C[NH+]1CCN(CCNc2cc[nH+]cc2CO)CC1 ZINC000891619647 584588091 /nfs/dbraw/zinc/58/80/91/584588091.db2.gz GVGUWKSDAJNGEL-UHFFFAOYSA-N 2 0 250.346 -0.345 20 0 CBADRP [NH3+]CCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891975825 584596643 /nfs/dbraw/zinc/59/66/43/584596643.db2.gz GTUPTQYKJPBRAA-JTQLQIEISA-N 2 0 256.350 -0.597 20 0 CBADRP C[NH2+]CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000891991968 584597616 /nfs/dbraw/zinc/59/76/16/584597616.db2.gz ALQJZYDRPZBCEP-CHWSQXEVSA-N 3 0 285.436 -0.413 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)N[C@H]1CC[NH2+]C1 ZINC000892008707 584598770 /nfs/dbraw/zinc/59/87/70/584598770.db2.gz WDPPZKAJWMOSGK-BDAKNGLRSA-N 2 0 262.304 -0.108 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC[C@H]([NH3+])C1CC1)C2 ZINC000892051578 584601659 /nfs/dbraw/zinc/60/16/59/584601659.db2.gz USPSDOOSGUWDFC-GMXVVIOVSA-N 2 0 252.362 -0.025 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000892054711 584601901 /nfs/dbraw/zinc/60/19/01/584601901.db2.gz FYVQPQQWJYPRSM-QWRGUYRKSA-N 2 0 258.366 -0.209 20 0 CBADRP COCC[NH2+]CCNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000892055983 584602277 /nfs/dbraw/zinc/60/22/77/584602277.db2.gz PDBDEYXBUHSHHP-WCQYABFASA-N 2 0 270.377 -0.527 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000892055949 584602327 /nfs/dbraw/zinc/60/23/27/584602327.db2.gz NTDDCFGVFQYXAS-WCQYABFASA-N 2 0 270.377 -0.194 20 0 CBADRP CCN(C(=O)NC[C@H]1C[NH2+]CCCO1)[C@H]1CC[NH2+]C1 ZINC000892165796 584606921 /nfs/dbraw/zinc/60/69/21/584606921.db2.gz DBJVQCWZNQOAKV-NWDGAFQWSA-N 2 0 270.377 -0.242 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000892165839 584606997 /nfs/dbraw/zinc/60/69/97/584606997.db2.gz DWTCNMIPJZLKTN-GRYCIOLGSA-N 2 0 270.377 -0.066 20 0 CBADRP [NH3+]C[C@@H]1CCCCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000892187383 584608382 /nfs/dbraw/zinc/60/83/82/584608382.db2.gz AODKUFPFNMYAJG-QWRGUYRKSA-N 2 0 256.350 -0.502 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)N1CC[NH2+]CCC12CCC2 ZINC000892188662 584608705 /nfs/dbraw/zinc/60/87/05/584608705.db2.gz IYWZFBKCENBDFA-GFCCVEGCSA-N 2 0 282.388 -0.098 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCC13CC(C1)C[NH2+]3)C2 ZINC000892262744 584611196 /nfs/dbraw/zinc/61/11/96/584611196.db2.gz WBYWPBPBQNFHJS-HJGSJEJJSA-N 2 0 264.373 -0.011 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC1([NH3+])CCOCC1 ZINC000892279076 584611926 /nfs/dbraw/zinc/61/19/26/584611926.db2.gz NAAGOBQCKKVBLU-UWVGGRQHSA-N 2 0 256.350 -0.375 20 0 CBADRP CCN(C(=O)NCC1([NH3+])CCOCC1)[C@H]1CC[NH2+]C1 ZINC000892282365 584612083 /nfs/dbraw/zinc/61/20/83/584612083.db2.gz RBPISELONJXHKL-NSHDSACASA-N 2 0 270.377 -0.112 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000892283561 584612627 /nfs/dbraw/zinc/61/26/27/584612627.db2.gz RVXXWXIGGVPHJC-NWDGAFQWSA-N 2 0 270.377 -0.242 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)NC[C@H]1COCC[NH2+]1 ZINC000892290814 584613338 /nfs/dbraw/zinc/61/33/38/584613338.db2.gz ULZWPJBHNPCECU-ZBOXLXRLSA-N 2 0 268.361 -0.360 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000892291165 584613606 /nfs/dbraw/zinc/61/36/06/584613606.db2.gz WSFPFSLCXZWHRZ-NWDGAFQWSA-N 2 0 270.377 -0.242 20 0 CBADRP [NH3+][C@@H]1CCCCCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000892294580 584613928 /nfs/dbraw/zinc/61/39/28/584613928.db2.gz KMPYIURANJVSTI-VXGBXAGGSA-N 2 0 270.377 -0.112 20 0 CBADRP CC1(C)CC[C@@H](CNC(=O)N(CC[NH3+])CCO)[NH2+]C1 ZINC000892383398 584616003 /nfs/dbraw/zinc/61/60/03/584616003.db2.gz DKUPLDABUKTZJE-NSHDSACASA-N 2 0 272.393 -0.273 20 0 CBADRP CN1CCN(C(=O)N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)[C@H](C[NH3+])C1 ZINC000892427915 584616736 /nfs/dbraw/zinc/61/67/36/584616736.db2.gz SHAKMGJNFRLNOT-GMDXDWKASA-N 2 0 294.399 -0.306 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N2C3CCC2(C[NH3+])CC3)C1 ZINC000892464033 584617025 /nfs/dbraw/zinc/61/70/25/584617025.db2.gz ZSPOVWNTEFXLSR-UXUKBGGZSA-N 2 0 282.388 -0.282 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892566506 584619272 /nfs/dbraw/zinc/61/92/72/584619272.db2.gz JLKIVQYICUSFBB-HAQNSBGRSA-N 2 0 299.419 -0.615 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892576099 584619663 /nfs/dbraw/zinc/61/96/63/584619663.db2.gz LJOPPSQMUJSBBV-JOCQHMNTSA-N 3 0 285.436 -0.142 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NCCC(C)(C)[NH3+] ZINC000892854965 584628554 /nfs/dbraw/zinc/62/85/54/584628554.db2.gz PWTMPXCFZUDAHU-UHFFFAOYSA-N 2 0 260.382 -0.273 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000894368214 584656738 /nfs/dbraw/zinc/65/67/38/584656738.db2.gz XYAUSQQATHNNHJ-BETUJISGSA-N 2 0 284.404 -0.232 20 0 CBADRP C[NH+]1C[C@@]2(C)CN(c3nc(N)[nH+]c(N)n3)C[C@]2(C)C1 ZINC000894802630 584664622 /nfs/dbraw/zinc/66/46/22/584664622.db2.gz QYENHUGZECNHGC-RYUDHWBXSA-N 2 0 263.349 -0.186 20 0 CBADRP C[NH+]1CCC(CN2CC(NS(C)(=O)=O)C2)CC1 ZINC000895587929 584682025 /nfs/dbraw/zinc/68/20/25/584682025.db2.gz DYCMRQOWWPZWIA-UHFFFAOYSA-N 2 0 261.391 -0.438 20 0 CBADRP C[NH+]1CCC(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)CC1 ZINC000895653103 584683874 /nfs/dbraw/zinc/68/38/74/584683874.db2.gz RMJJTHKUQMUDCA-LBPRGKRZSA-N 2 0 255.362 -0.096 20 0 CBADRP C[N@H+](CCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)C1CC1 ZINC000895873768 584688766 /nfs/dbraw/zinc/68/87/66/584688766.db2.gz KVCWIECYSLXTCV-CYBMUJFWSA-N 2 0 267.373 -0.083 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895883391 584688901 /nfs/dbraw/zinc/68/89/01/584688901.db2.gz DRSSEIYJNOUVPL-OLZOCXBDSA-N 2 0 267.373 -0.083 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895883393 584689188 /nfs/dbraw/zinc/68/91/88/584689188.db2.gz DRSSEIYJNOUVPL-QWHCGFSZSA-N 2 0 267.373 -0.083 20 0 CBADRP COCC[N@H+](C)CCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896096961 584692120 /nfs/dbraw/zinc/69/21/20/584692120.db2.gz MMIDOKMICKGHRA-CYBMUJFWSA-N 2 0 285.388 -0.599 20 0 CBADRP COCC[N@H+](C)CCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000896096927 584692196 /nfs/dbraw/zinc/69/21/96/584692196.db2.gz LAJUCNZRFXPJML-UHFFFAOYSA-N 2 0 299.415 -0.208 20 0 CBADRP C[C@@H](NC(=O)C1([NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896537445 584701490 /nfs/dbraw/zinc/70/14/90/584701490.db2.gz YWJCKPBIDFYJAG-NEPJUHHUSA-N 2 0 268.405 -0.169 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000897146451 584709043 /nfs/dbraw/zinc/70/90/43/584709043.db2.gz SWPUELPKVFFIDF-CHWSQXEVSA-N 2 0 280.416 -0.025 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000897441580 584716483 /nfs/dbraw/zinc/71/64/83/584716483.db2.gz HCQZPWPZSOUAHF-GXTWGEPZSA-N 2 0 286.420 -0.060 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000897446648 584716730 /nfs/dbraw/zinc/71/67/30/584716730.db2.gz XKQWRCQWCSQIFF-JSGCOSHPSA-N 2 0 284.404 -0.306 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NCC[NH+]1CC[C@@H](C)C1 ZINC000897448560 584716806 /nfs/dbraw/zinc/71/68/06/584716806.db2.gz XFKYIGVQPRCMMJ-CYBMUJFWSA-N 2 0 286.420 -0.058 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000897469297 584717514 /nfs/dbraw/zinc/71/75/14/584717514.db2.gz HULKKQUEWUFJSH-STQMWFEESA-N 2 0 284.404 -0.306 20 0 CBADRP C[C@H]1CCC[N@@H+]1CCNC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000897495091 584718294 /nfs/dbraw/zinc/71/82/94/584718294.db2.gz SMNDTNYIUGEBTO-JSGCOSHPSA-N 2 0 284.404 -0.164 20 0 CBADRP C[NH2+]C1(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)CCC1 ZINC000897896676 584726710 /nfs/dbraw/zinc/72/67/10/584726710.db2.gz WPPCOEFDDZUNED-GFCCVEGCSA-N 2 0 267.373 -0.035 20 0 CBADRP C[N@H+](CCO)CCNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000899737337 584777769 /nfs/dbraw/zinc/77/77/69/584777769.db2.gz HOYKNTGXMDYIFZ-GFCCVEGCSA-N 2 0 255.362 -0.347 20 0 CBADRP CN1CC[NH+](CCCC[NH2+]C[C@@H](O)C2(O)CCC2)CC1 ZINC000899869193 584782215 /nfs/dbraw/zinc/78/22/15/584782215.db2.gz BQEHWFBWMBMIOP-CQSZACIVSA-N 2 0 285.432 -0.121 20 0 CBADRP CN(C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000899909163 584784106 /nfs/dbraw/zinc/78/41/06/584784106.db2.gz LUQMKUYFDMYPQN-OCCSQVGLSA-N 2 0 269.389 -0.006 20 0 CBADRP C[N@@H+]1CCCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000899934350 584785683 /nfs/dbraw/zinc/78/56/83/584785683.db2.gz CPBAMPWYFMVDKE-ZDUSSCGKSA-N 2 0 267.373 -0.129 20 0 CBADRP C[NH+](C)CCN1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900010249 584788856 /nfs/dbraw/zinc/78/88/56/584788856.db2.gz VPGBTXXKBSBLOG-DZGCQCFKSA-N 2 0 298.431 -0.853 20 0 CBADRP C[N@H+](CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C)C1CC1 ZINC000900367882 584800655 /nfs/dbraw/zinc/80/06/55/584800655.db2.gz XPIFSPCPLQDFSU-DGCLKSJQSA-N 2 0 255.362 -0.348 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC1CC[NH+](C)CC1 ZINC000900486081 584807408 /nfs/dbraw/zinc/80/74/08/584807408.db2.gz WVIKYXRTYZVIDW-GXTWGEPZSA-N 2 0 269.389 -0.101 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000900516390 584809279 /nfs/dbraw/zinc/80/92/79/584809279.db2.gz BUWRBSFERQMWKF-DGCLKSJQSA-N 2 0 273.377 -0.864 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC000900614227 584816382 /nfs/dbraw/zinc/81/63/82/584816382.db2.gz OUMIWRQRAFLURV-ZDUSSCGKSA-N 2 0 280.416 -0.166 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000900624325 584816840 /nfs/dbraw/zinc/81/68/40/584816840.db2.gz PLDPVAJJFZPOCW-LBPRGKRZSA-N 2 0 267.373 -0.081 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CC1 ZINC000900634114 584817904 /nfs/dbraw/zinc/81/79/04/584817904.db2.gz SCNAYAIYPDCAKL-JSGCOSHPSA-N 2 0 269.389 -0.004 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900686613 584821629 /nfs/dbraw/zinc/82/16/29/584821629.db2.gz NOUSHMPGQMUGLI-DZGCQCFKSA-N 2 0 298.431 -0.805 20 0 CBADRP C[NH+](C)CCCCNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900691481 584822129 /nfs/dbraw/zinc/82/21/29/584822129.db2.gz YPHLVBZPYXDFBJ-WCQYABFASA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900694387 584822460 /nfs/dbraw/zinc/82/24/60/584822460.db2.gz HVXOBQDBGSBOIX-NQBHXWOUSA-N 2 0 257.378 -0.102 20 0 CBADRP CC(C)[N@H+](C)CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000900698533 584822946 /nfs/dbraw/zinc/82/29/46/584822946.db2.gz HJTGFUOHKYGCBJ-DGCLKSJQSA-N 2 0 257.378 -0.102 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CCOCC1 ZINC000900714497 584824159 /nfs/dbraw/zinc/82/41/59/584824159.db2.gz SPEXOMVXWPJIQL-TZMCWYRMSA-N 2 0 299.415 -0.332 20 0 CBADRP CN(C(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)[C@H]1CCC[N@H+](C)C1 ZINC000900833385 584829688 /nfs/dbraw/zinc/82/96/88/584829688.db2.gz WBVMLGAYHORAJX-SCRDCRAPSA-N 2 0 269.389 -0.006 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900980531 584836418 /nfs/dbraw/zinc/83/64/18/584836418.db2.gz MGLDESSHCCRSPB-DOMZBBRYSA-N 2 0 299.415 -0.332 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC1=CC[NH+](C)CC1 ZINC000901329287 584861249 /nfs/dbraw/zinc/86/12/49/584861249.db2.gz FUZKSHPLWADTLQ-OCCSQVGLSA-N 2 0 267.373 -0.180 20 0 CBADRP O=C([C@H]1CCCN(C[C@H]2CCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000903420914 584890138 /nfs/dbraw/zinc/89/01/38/584890138.db2.gz GEBQKYXDCJSUEC-UONOGXRCSA-N 3 0 280.416 -0.118 20 0 CBADRP CC(=O)NC[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903438673 584890215 /nfs/dbraw/zinc/89/02/15/584890215.db2.gz YQAJAIBYXFEWBC-AGIUHOORSA-N 2 0 255.362 -0.049 20 0 CBADRP CON1CC[C@@H]([NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1=O ZINC000903454067 584890613 /nfs/dbraw/zinc/89/06/13/584890613.db2.gz UCQWJVAOJVGEJI-UPJWGTAASA-N 2 0 283.372 -0.023 20 0 CBADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000903464117 584890835 /nfs/dbraw/zinc/89/08/35/584890835.db2.gz AIOKLVSDXXICPV-UONOGXRCSA-N 3 0 295.431 -0.243 20 0 CBADRP CCCNC(=O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903491052 584891579 /nfs/dbraw/zinc/89/15/79/584891579.db2.gz SWEGUEDKGOMINY-WDMOLILDSA-N 2 0 283.372 -0.275 20 0 CBADRP C[NH2+]CCC[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493540 584891840 /nfs/dbraw/zinc/89/18/40/584891840.db2.gz UPKYFHQZSXGFLB-LOWVWBTDSA-N 3 0 255.362 -0.192 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000903520106 584892344 /nfs/dbraw/zinc/89/23/44/584892344.db2.gz HVJRDFMHHCMOIS-QWHCGFSZSA-N 2 0 287.429 -0.143 20 0 CBADRP CN(C1(C[NH3+])CCOCC1)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000903538753 584892789 /nfs/dbraw/zinc/89/27/89/584892789.db2.gz AXFYRDXYNRKIEU-NSHDSACASA-N 2 0 291.417 -0.492 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000903550439 584892861 /nfs/dbraw/zinc/89/28/61/584892861.db2.gz GAUYYABTMPTUTJ-UWVGGRQHSA-N 2 0 261.391 -0.344 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000903548874 584892896 /nfs/dbraw/zinc/89/28/96/584892896.db2.gz JGFNUYXUWYGCAG-UTUOFQBUSA-N 2 0 291.417 -0.860 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C[C@H]1CC[NH3+] ZINC000903556861 584893139 /nfs/dbraw/zinc/89/31/39/584893139.db2.gz HVXDVSVQUNTSAP-UTUOFQBUSA-N 2 0 291.417 -0.779 20 0 CBADRP CC1(C)CN(CCC(=O)N2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000903557948 584893141 /nfs/dbraw/zinc/89/31/41/584893141.db2.gz IQGANPNLMMQWMC-LLVKDONJSA-N 2 0 254.378 -0.523 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000903561693 584893353 /nfs/dbraw/zinc/89/33/53/584893353.db2.gz UEJCGHIWBWKVPW-HBNTYKKESA-N 2 0 261.391 -0.250 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CCCCC[NH2+]1 ZINC000903565115 584893435 /nfs/dbraw/zinc/89/34/35/584893435.db2.gz RDZQPZXACOOZMU-NEPJUHHUSA-N 2 0 291.417 -0.574 20 0 CBADRP O=S(=O)(NC[C@@H]1CCCCC[NH2+]1)N1CC[NH2+]CC1 ZINC000903567132 584893501 /nfs/dbraw/zinc/89/35/01/584893501.db2.gz YWOHQHFMBRXMTE-NSHDSACASA-N 2 0 276.406 -0.742 20 0 CBADRP [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000903584644 584894093 /nfs/dbraw/zinc/89/40/93/584894093.db2.gz KVOIIWIEGPKUGW-GRYCIOLGSA-N 2 0 289.401 -0.882 20 0 CBADRP O=S1(=O)C[C@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]2C1 ZINC000903707875 584895196 /nfs/dbraw/zinc/89/51/96/584895196.db2.gz UILMXZBHAQPIEX-TXEJJXNPSA-N 2 0 258.387 -0.038 20 0 CBADRP COCC(COC)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000903713164 584895402 /nfs/dbraw/zinc/89/54/02/584895402.db2.gz GPNQMTZIVPEITH-CYBMUJFWSA-N 2 0 299.415 -0.208 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000903712868 584895413 /nfs/dbraw/zinc/89/54/13/584895413.db2.gz AUAMGEKXEWPWSJ-RWMBFGLXSA-N 2 0 297.399 -0.028 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000903719777 584895755 /nfs/dbraw/zinc/89/57/55/584895755.db2.gz VSGKZHIXSCILCW-LBPRGKRZSA-N 2 0 296.415 -0.264 20 0 CBADRP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722321 584895807 /nfs/dbraw/zinc/89/58/07/584895807.db2.gz KOZOOFVPZUHTKV-OBJOEFQTSA-N 2 0 267.373 -0.035 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903719704 584895832 /nfs/dbraw/zinc/89/58/32/584895832.db2.gz TYEASFPATUGPAN-NSHDSACASA-N 2 0 284.404 -0.408 20 0 CBADRP CC[N@@H+](CC(=O)NC)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903724994 584896036 /nfs/dbraw/zinc/89/60/36/584896036.db2.gz UGJLDCJEHJDFJU-WCQYABFASA-N 2 0 255.362 -0.177 20 0 CBADRP CC(=O)NC[C@@H]1CN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903729210 584896280 /nfs/dbraw/zinc/89/62/80/584896280.db2.gz KUJCFOWMLHOABC-RBSFLKMASA-N 2 0 297.399 -0.408 20 0 CBADRP [NH3+]C[C@@H]1CN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903743892 584896841 /nfs/dbraw/zinc/89/68/41/584896841.db2.gz OUQBXAOGANRQHF-UPJWGTAASA-N 2 0 255.362 -0.586 20 0 CBADRP CN(C)C(=O)[C@H]1CN(C[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC000903756338 584897573 /nfs/dbraw/zinc/89/75/73/584897573.db2.gz QHPFVAVTOMHBNL-QWHCGFSZSA-N 2 0 268.405 -0.262 20 0 CBADRP [NH3+]C[C@@H]1CN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCCO1 ZINC000903760034 584897776 /nfs/dbraw/zinc/89/77/76/584897776.db2.gz FGCDHMMMKQDGSY-MJBXVCDLSA-N 2 0 269.389 -0.195 20 0 CBADRP CN1CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCC1=O ZINC000903765449 584897946 /nfs/dbraw/zinc/89/79/46/584897946.db2.gz HIPILMLHGNAKBE-JSGCOSHPSA-N 2 0 267.373 -0.081 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903770833 584898365 /nfs/dbraw/zinc/89/83/65/584898365.db2.gz ZDFLBTPQJDSCNK-ZIAGYGMSSA-N 3 0 271.405 -0.077 20 0 CBADRP O[C@H](CN1C[C@@H]2CC[NH2+]C[C@@H]2C1)C[NH+]1CCCC1 ZINC000903788413 584899684 /nfs/dbraw/zinc/89/96/84/584899684.db2.gz KJTVSNKVKQIGSC-MJBXVCDLSA-N 2 0 253.390 -0.016 20 0 CBADRP NS(=O)(=O)C[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903788182 584899725 /nfs/dbraw/zinc/89/97/25/584899725.db2.gz DSRZAIKSGUIJPZ-NWDGAFQWSA-N 2 0 275.418 -0.014 20 0 CBADRP C[C@@](Cn1cccn1)([NH2+]CC[C@@H]1CC[NH2+]C1)C(N)=O ZINC000903829579 584901233 /nfs/dbraw/zinc/90/12/33/584901233.db2.gz HYVDHLHKLFFEFE-AAEUAGOBSA-N 2 0 265.361 -0.284 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@@]12CC[NH2+]C2 ZINC000903870610 584902800 /nfs/dbraw/zinc/90/28/00/584902800.db2.gz ODBLBPIQHSUAIZ-KGLIPLIRSA-N 2 0 271.405 -0.247 20 0 CBADRP C[NH2+]CCN(C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903874144 584902875 /nfs/dbraw/zinc/90/28/75/584902875.db2.gz TUHHCBPZFNRGJT-LLVKDONJSA-N 2 0 252.366 -0.146 20 0 CBADRP C[C@@H](C[NH3+])N(C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903874307 584902879 /nfs/dbraw/zinc/90/28/79/584902879.db2.gz XRLLREFDAXBJIA-WDEREUQCSA-N 2 0 252.366 -0.018 20 0 CBADRP C[C@H]1C[NH2+]CCN1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903874399 584903152 /nfs/dbraw/zinc/90/31/52/584903152.db2.gz ZXOZWOHLPOCNST-NWDGAFQWSA-N 2 0 264.377 -0.004 20 0 CBADRP CNC(=O)[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903903963 584904449 /nfs/dbraw/zinc/90/44/49/584904449.db2.gz YTRIQKXCJICPFE-PSEXLTFBSA-N 2 0 267.373 -0.036 20 0 CBADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000903917921 584904539 /nfs/dbraw/zinc/90/45/39/584904539.db2.gz OTKKVWKLFCZIQV-BZPMIXESSA-N 2 0 276.388 -0.004 20 0 CBADRP CC1(C)CN(C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@H]1[NH3+] ZINC000903986690 584905420 /nfs/dbraw/zinc/90/54/20/584905420.db2.gz PLTDWWGQWRBYOM-VXGBXAGGSA-N 2 0 268.405 -0.147 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000969170534 614091400 /nfs/dbraw/zinc/09/14/00/614091400.db2.gz SMLKQORXJZNFIA-CHWSQXEVSA-N 2 0 296.415 -0.217 20 0 CBADRP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH2+]CCO)C2)CC1 ZINC000970336293 614432309 /nfs/dbraw/zinc/43/23/09/614432309.db2.gz AZHMGRPHFCBPIN-CYBMUJFWSA-N 2 0 269.389 -0.099 20 0 CBADRP CCC[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958593876 614789935 /nfs/dbraw/zinc/78/99/35/614789935.db2.gz CGESKZWMTZWKPY-CHWSQXEVSA-N 2 0 281.400 -0.099 20 0 CBADRP CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958593879 614802738 /nfs/dbraw/zinc/80/27/38/614802738.db2.gz CGESKZWMTZWKPY-STQMWFEESA-N 2 0 281.400 -0.099 20 0 CBADRP CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941666281 615087422 /nfs/dbraw/zinc/08/74/22/615087422.db2.gz SUYPDPRJAUQVJJ-CYBMUJFWSA-N 2 0 280.416 -0.214 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000970799468 615113684 /nfs/dbraw/zinc/11/36/84/615113684.db2.gz DSSSJUXUEHRUHE-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@H](C)O)C1)[NH+](C)C ZINC000969986316 615374517 /nfs/dbraw/zinc/37/45/17/615374517.db2.gz WNZGOMIFFLKNMF-TUAOUCFPSA-N 2 0 257.378 -0.102 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1)[NH+](C)C ZINC000969992372 615374529 /nfs/dbraw/zinc/37/45/29/615374529.db2.gz WQWICSMGCJRAEF-WOPDTQHZSA-N 2 0 282.388 -0.594 20 0 CBADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1)C(N)=O ZINC000969985669 615374985 /nfs/dbraw/zinc/37/49/85/615374985.db2.gz LVSQURNTYUWZGA-UTUOFQBUSA-N 2 0 284.404 -0.219 20 0 CBADRP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961284362 615439393 /nfs/dbraw/zinc/43/93/93/615439393.db2.gz TTYAAEUDFPKJBY-FYXRNUCBSA-N 2 0 291.395 -0.084 20 0 CBADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC000969629786 615537886 /nfs/dbraw/zinc/53/78/86/615537886.db2.gz HRUNTHPBDYYDTD-UPJWGTAASA-N 2 0 296.415 -0.075 20 0 CBADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC000968921737 615538003 /nfs/dbraw/zinc/53/80/03/615538003.db2.gz HTRBUNFFBFXGMD-DGCLKSJQSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCCO)C[C@H]2O)CC1 ZINC000958373479 616167000 /nfs/dbraw/zinc/16/70/00/616167000.db2.gz FVRRIWAIORPRAT-ZIAGYGMSSA-N 2 0 299.415 -0.881 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC000969595023 616192186 /nfs/dbraw/zinc/19/21/86/616192186.db2.gz JRZATZYEZZHPTA-JHJVBQTASA-N 2 0 294.399 -0.450 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC000963632618 616192720 /nfs/dbraw/zinc/19/27/20/616192720.db2.gz UMDWZOCXRMQWHA-VDZFAJSBSA-N 2 0 294.399 -0.417 20 0 CBADRP C[N@H+](CCO)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000972733792 616269073 /nfs/dbraw/zinc/26/90/73/616269073.db2.gz RZIBBHDTALQNHU-QWHCGFSZSA-N 2 0 269.389 -0.147 20 0 CBADRP CN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC000970717955 616281054 /nfs/dbraw/zinc/28/10/54/616281054.db2.gz PPQUMLCZJOTTDX-CHWSQXEVSA-N 2 0 294.399 -0.497 20 0 CBADRP C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980390207 616362138 /nfs/dbraw/zinc/36/21/38/616362138.db2.gz GAZIKMIFXNZVQT-NWDGAFQWSA-N 2 0 255.362 -0.537 20 0 CBADRP Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970713002 616362653 /nfs/dbraw/zinc/36/26/53/616362653.db2.gz VALSGQGURFOGMX-NWDGAFQWSA-N 2 0 292.387 -0.543 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948039941 616623063 /nfs/dbraw/zinc/62/30/63/616623063.db2.gz LQVAJVGXWXROQT-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911813516 657137781 /nfs/dbraw/zinc/13/77/81/657137781.db2.gz OCUSTORPPDKMQW-WCQYABFASA-N 2 0 257.378 -0.019 20 0 CBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1C[NH2+]CCN1C ZINC000911870773 657149736 /nfs/dbraw/zinc/14/97/36/657149736.db2.gz OUORNGLNSGYQQL-NEPJUHHUSA-N 2 0 256.394 -0.278 20 0 CBADRP C[C@@H]1CC[C@H](NS(=O)(=O)[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000923664606 658388365 /nfs/dbraw/zinc/38/83/65/658388365.db2.gz YQJNXTYVJVRLOU-VWYCJHECSA-N 2 0 261.391 -0.202 20 0 CBADRP CN(C1(C[NH3+])CCCCC1)S(=O)(=O)C1C[NH2+]C1 ZINC000923673509 658395578 /nfs/dbraw/zinc/39/55/78/658395578.db2.gz GDFDBKWCIDGYQG-UHFFFAOYSA-N 2 0 261.391 -0.119 20 0 CBADRP C[C@H](NC(C[NH3+])C[NH3+])C(=O)NC1CCC(C)CC1 ZINC000923351423 658224756 /nfs/dbraw/zinc/22/47/56/658224756.db2.gz LDRFGBGGVJDFJA-YVNMAJEFSA-N 2 0 256.394 -0.055 20 0 CBADRP C[C@H](NC(C[NH3+])C[NH3+])C(=O)NCc1ccccc1F ZINC000923350905 658225828 /nfs/dbraw/zinc/22/58/28/658225828.db2.gz BQRJEDQXFQKDLY-VIFPVBQESA-N 2 0 268.336 -0.294 20 0 CBADRP C[C@H](NC(C[NH3+])C[NH3+])C(=O)NCc1ccc(F)cc1 ZINC000923350837 658226024 /nfs/dbraw/zinc/22/60/24/658226024.db2.gz DZLPGDWONCHLQP-VIFPVBQESA-N 2 0 268.336 -0.294 20 0 CBADRP COC[C@@](C)(CC(=O)OC)[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923376137 658245001 /nfs/dbraw/zinc/24/50/01/658245001.db2.gz JCJYFTYAIRTDCQ-WCQYABFASA-N 2 0 286.372 -0.077 20 0 CBADRP CC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923378252 658245863 /nfs/dbraw/zinc/24/58/63/658245863.db2.gz TVHSRMOIEJOWSL-BFHYXJOUSA-N 2 0 296.415 -0.023 20 0 CBADRP CNC(=O)[C@@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)C(C)C ZINC000923379209 658245975 /nfs/dbraw/zinc/24/59/75/658245975.db2.gz NNKKMXKNVDLDAV-MNOVXSKESA-N 2 0 255.362 -0.275 20 0 CBADRP CN1C[C@@H]2[C@@H](CCC[N@@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)C1=O ZINC000923375581 658246733 /nfs/dbraw/zinc/24/67/33/658246733.db2.gz BFJGGSCZZXKXSA-JHJVBQTASA-N 2 0 279.384 -0.083 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC2(CC[NH2+]2)CC1 ZINC000923379862 658246885 /nfs/dbraw/zinc/24/68/85/658246885.db2.gz ANRRCAMHSLVXSC-CYBMUJFWSA-N 2 0 271.405 -0.247 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000923379237 658247659 /nfs/dbraw/zinc/24/76/59/658247659.db2.gz ZVPQNXOCKKHCJM-XQQFMLRXSA-N 2 0 270.373 -0.306 20 0 CBADRP CN(C)C(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449728 658286899 /nfs/dbraw/zinc/28/68/99/658286899.db2.gz BLLLDAPLFUESCL-NSHDSACASA-N 2 0 255.362 -0.096 20 0 CBADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923486318 658304426 /nfs/dbraw/zinc/30/44/26/658304426.db2.gz PJIGHCYWJGTTOV-AGIUHOORSA-N 2 0 296.415 -0.231 20 0 CBADRP C[C@@H]1C[N@H+](CCS(=O)(=O)N(C)C)CC[C@H]1C[NH3+] ZINC000923488404 658304831 /nfs/dbraw/zinc/30/48/31/658304831.db2.gz FLMRTBXMZROAJU-MNOVXSKESA-N 2 0 263.407 -0.206 20 0 CBADRP [NH3+]CCOCC[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000923526871 658314178 /nfs/dbraw/zinc/31/41/78/658314178.db2.gz IKSVMHGFFZHQCH-UHFFFAOYSA-N 2 0 257.334 -0.074 20 0 CBADRP [NH3+]CCOCC[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC000923527095 658315105 /nfs/dbraw/zinc/31/51/05/658315105.db2.gz XULDRRDOZGGJCC-NSHDSACASA-N 2 0 257.334 -0.218 20 0 CBADRP COc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)C1C[NH2+]C1 ZINC000923562891 658328558 /nfs/dbraw/zinc/32/85/58/658328558.db2.gz NVZGAGVGKMQLCS-NSHDSACASA-N 2 0 285.369 -0.414 20 0 CBADRP C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923623570 658357156 /nfs/dbraw/zinc/35/71/56/658357156.db2.gz BCHCOEUDPBXQBD-GFCCVEGCSA-N 2 0 287.429 -0.048 20 0 CBADRP C[C@@H]1C[C@H](NS(=O)(=O)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000923636938 658367833 /nfs/dbraw/zinc/36/78/33/658367833.db2.gz QLJHJKJTRXSKQX-GMTAPVOTSA-N 2 0 261.391 -0.202 20 0 CBADRP [NH3+]C[C@H](NS(=O)(=O)N1CC[NH2+]CC1)C1CCCC1 ZINC000923637643 658368335 /nfs/dbraw/zinc/36/83/35/658368335.db2.gz RMPMVXAIOPIQRI-NSHDSACASA-N 2 0 276.406 -0.757 20 0 CBADRP CC[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000923636734 658368543 /nfs/dbraw/zinc/36/85/43/658368543.db2.gz NHGPNGUGHGUCCH-GHMZBOCLSA-N 2 0 276.406 -0.804 20 0 CBADRP C[C@@H]1C[C@H](NS(=O)(=O)[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000923636939 658369231 /nfs/dbraw/zinc/36/92/31/658369231.db2.gz QLJHJKJTRXSKQX-MXWKQRLJSA-N 2 0 261.391 -0.202 20 0 CBADRP [NH3+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923637002 658369244 /nfs/dbraw/zinc/36/92/44/658369244.db2.gz UGCOXXFNDFJFDX-LPEHRKFASA-N 2 0 265.354 -0.561 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923639447 658369657 /nfs/dbraw/zinc/36/96/57/658369657.db2.gz NGHONZAOFGJXLO-OUAUKWLOSA-N 2 0 261.391 -0.344 20 0 CBADRP O=S(=O)(N[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC000923640765 658370170 /nfs/dbraw/zinc/37/01/70/658370170.db2.gz MGOZMJMDKAJYQQ-MNOVXSKESA-N 2 0 273.402 -0.200 20 0 CBADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000923643714 658371633 /nfs/dbraw/zinc/37/16/33/658371633.db2.gz GMDHOWRAARMQJS-QJPTWQEYSA-N 2 0 273.402 -0.248 20 0 CBADRP O=S(=O)([C@H]1CCC[NH2+]C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000923642593 658372135 /nfs/dbraw/zinc/37/21/35/658372135.db2.gz XICNJZPCRMUXKG-SDDRHHMPSA-N 2 0 273.402 -0.248 20 0 CBADRP [NH3+]Cc1ccc(CNS(=O)(=O)C2C[NH2+]C2)cc1 ZINC000923653682 658378167 /nfs/dbraw/zinc/37/81/67/658378167.db2.gz XGYZYQVUAVZESM-UHFFFAOYSA-N 2 0 255.343 -0.464 20 0 CBADRP [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923652776 658378477 /nfs/dbraw/zinc/37/84/77/658378477.db2.gz NZOJNYLBEIUFNM-CYBMUJFWSA-N 2 0 281.381 -0.154 20 0 CBADRP [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)N1CC[NH2+]CC1)C2 ZINC000923653188 658378986 /nfs/dbraw/zinc/37/89/86/658378986.db2.gz UQTGUWOCMPCBJH-RYUDHWBXSA-N 2 0 288.417 -0.803 20 0 CBADRP [NH3+]CC12CC(C1)CN2S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923653953 658379601 /nfs/dbraw/zinc/37/96/01/658379601.db2.gz CUHRCDCTOMHBLJ-YVNMAJEFSA-N 2 0 259.375 -0.509 20 0 CBADRP C[C@@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000923656569 658381714 /nfs/dbraw/zinc/38/17/14/658381714.db2.gz SSWGFQLYDFCMAB-MNOVXSKESA-N 2 0 276.406 -0.804 20 0 CBADRP O=S(=O)(N[C@H]1CC[NH2+]C2(CCC2)C1)N1CC[NH2+]CC1 ZINC000923656044 658382248 /nfs/dbraw/zinc/38/22/48/658382248.db2.gz PKAURINLBUMOBA-NSHDSACASA-N 2 0 288.417 -0.599 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NCC[N@H+](C)CCO)cn1 ZINC000925004518 658741840 /nfs/dbraw/zinc/74/18/40/658741840.db2.gz HWQRVXIQWOGIDG-UHFFFAOYSA-N 2 0 283.376 -0.901 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+](C)CCO ZINC000925007506 658743651 /nfs/dbraw/zinc/74/36/51/658743651.db2.gz QEOMYEMFNZFURC-TXEJJXNPSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[N@@H+]1CC[C@H](N2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000925320970 658824936 /nfs/dbraw/zinc/82/49/36/658824936.db2.gz IGDGVEIGBIUPAM-UWVGGRQHSA-N 2 0 254.334 -0.437 20 0 CBADRP C[C@H]1[C@H](NC(=O)NCC2(O)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000925326623 658826327 /nfs/dbraw/zinc/82/63/27/658826327.db2.gz YWXHLEUVENVWNV-NWDGAFQWSA-N 2 0 284.404 -0.165 20 0 CBADRP COC(=O)c1cn(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)nn1 ZINC000925667359 658864608 /nfs/dbraw/zinc/86/46/08/658864608.db2.gz QNHMYPAKPYFNEX-WDEREUQCSA-N 2 0 279.344 -0.076 20 0 CBADRP COC(=O)c1cn(CCN[C@@H]2CCC[NH2+][C@H]2C)nn1 ZINC000925665345 658865111 /nfs/dbraw/zinc/86/51/11/658865111.db2.gz DLGLIYJHICGFJY-VHSXEESVSA-N 2 0 267.333 -0.205 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000925788395 658871749 /nfs/dbraw/zinc/87/17/49/658871749.db2.gz IFYWKJJFLGTVKR-RWMBFGLXSA-N 2 0 289.445 -0.130 20 0 CBADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000925788094 658872382 /nfs/dbraw/zinc/87/23/82/658872382.db2.gz FURASFPJQWGBGN-RYUDHWBXSA-N 2 0 277.434 -0.130 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000928448369 659023177 /nfs/dbraw/zinc/02/31/77/659023177.db2.gz NVUJOAMOXMJZQW-QWHCGFSZSA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@@H]1[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+]1C ZINC000928449328 659026785 /nfs/dbraw/zinc/02/67/85/659026785.db2.gz QCDDMKNDAWHFOK-FRRDWIJNSA-N 2 0 296.415 -0.395 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000928551126 659036222 /nfs/dbraw/zinc/03/62/22/659036222.db2.gz LDUIUUSRLUSBKY-NEPJUHHUSA-N 2 0 253.346 -0.473 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCN1C)C[NH+]1CCCC1 ZINC000929565171 659141080 /nfs/dbraw/zinc/14/10/80/659141080.db2.gz QCGSURJYUVFZED-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1NC(=O)N(CC[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1=O ZINC000931441244 659461359 /nfs/dbraw/zinc/46/13/59/659461359.db2.gz FMQNVVUENKPVKH-SDDRHHMPSA-N 2 0 280.372 -0.190 20 0 CBADRP CN1CC(=O)N(CC[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1=O ZINC000931441699 659463524 /nfs/dbraw/zinc/46/35/24/659463524.db2.gz NJYMVHHBVYNDIR-NWDGAFQWSA-N 2 0 280.372 -0.236 20 0 CBADRP C[N@@H+]1CC[C@@H]2C[NH+](CCN3CCCS3(=O)=O)C[C@@H]2C1 ZINC000931440884 659466114 /nfs/dbraw/zinc/46/61/14/659466114.db2.gz ZECOIKHBOLJIBJ-OLZOCXBDSA-N 2 0 287.429 -0.095 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)COC1CC[NH+](C)CC1 ZINC000935052447 659816493 /nfs/dbraw/zinc/81/64/93/659816493.db2.gz LCBWLJIKKFTPMC-CQSZACIVSA-N 2 0 287.404 -0.474 20 0 CBADRP CC1CC[NH+](CCNS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000040862284 656005815 /nfs/dbraw/zinc/00/58/15/656005815.db2.gz AYJLDTKFJRGXDI-UHFFFAOYSA-N 2 0 290.433 -0.542 20 0 CBADRP C[NH+](C)CC1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000040861703 656006401 /nfs/dbraw/zinc/00/64/01/656006401.db2.gz PAMHLHFTDBPNCW-UHFFFAOYSA-N 2 0 290.433 -0.590 20 0 CBADRP CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000053245837 656025483 /nfs/dbraw/zinc/02/54/83/656025483.db2.gz YEXPJTSDPDXBOG-NSHDSACASA-N 2 0 276.406 -0.838 20 0 CBADRP O=C(CCN1CC[NH+](CC2CC2)CC1)N1CC[NH2+]CC1 ZINC000053298792 656026341 /nfs/dbraw/zinc/02/63/41/656026341.db2.gz GMQTVXKXCUEFPO-UHFFFAOYSA-N 2 0 280.416 -0.164 20 0 CBADRP CNC(=O)[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298865 656026494 /nfs/dbraw/zinc/02/64/94/656026494.db2.gz CPKIUKPQGPNBGZ-LLVKDONJSA-N 2 0 268.361 -0.981 20 0 CBADRP CNC(NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)=[NH+]C ZINC000066246643 656036356 /nfs/dbraw/zinc/03/63/56/656036356.db2.gz DILXSWKESQTFFN-LLVKDONJSA-N 2 0 269.393 -0.276 20 0 CBADRP C[N@H+](CC[C@H]1CCCO1)CC(=O)N1CC[NH2+]CC1 ZINC000087266378 656052016 /nfs/dbraw/zinc/05/20/16/656052016.db2.gz AHRAJEZBNQRTCL-GFCCVEGCSA-N 2 0 255.362 -0.081 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC[NH2+]CC1 ZINC000091668590 656058689 /nfs/dbraw/zinc/05/86/89/656058689.db2.gz OCCUYDGQRPMBBO-STQMWFEESA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668052 656059264 /nfs/dbraw/zinc/05/92/64/656059264.db2.gz YGXYLVYDNANMPE-YNEHKIRRSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH2+]C1 ZINC000091668128 656059270 /nfs/dbraw/zinc/05/92/70/656059270.db2.gz CBQORJXYPGISQS-DYEKYZERSA-N 2 0 267.373 -0.035 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000092631710 656059794 /nfs/dbraw/zinc/05/97/94/656059794.db2.gz IRRQLUKEKCWWCD-LLVKDONJSA-N 2 0 276.406 -0.838 20 0 CBADRP COCCOCCOCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000126570680 656068246 /nfs/dbraw/zinc/06/82/46/656068246.db2.gz VPAWEAGXDWZUJB-STQMWFEESA-N 2 0 258.362 -0.183 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@@H]1COC(=O)C1 ZINC000163822927 656080066 /nfs/dbraw/zinc/08/00/66/656080066.db2.gz KFZFTIDVEUKSKK-LBPRGKRZSA-N 2 0 285.388 -0.109 20 0 CBADRP C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000178880785 656088834 /nfs/dbraw/zinc/08/88/34/656088834.db2.gz MAWHPOMWZCIXQT-STQMWFEESA-N 2 0 268.405 -0.119 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000178874299 656088967 /nfs/dbraw/zinc/08/89/67/656088967.db2.gz WOMJKVRABLFIHT-CYBMUJFWSA-N 2 0 268.405 -0.118 20 0 CBADRP COC(=O)N[C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000228270629 656109664 /nfs/dbraw/zinc/10/96/64/656109664.db2.gz KZXGXDOPMNOZFF-NSHDSACASA-N 2 0 284.360 -0.761 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CCC[NH2+]1 ZINC000252713708 656123983 /nfs/dbraw/zinc/12/39/83/656123983.db2.gz PZKHANZTGZKQJC-SDDRHHMPSA-N 2 0 253.346 -0.282 20 0 CBADRP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261602797 656125341 /nfs/dbraw/zinc/12/53/41/656125341.db2.gz QNUBYWUDULDECB-SNVBAGLBSA-N 2 0 268.361 -0.094 20 0 CBADRP CCCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[C@H]1CC[NH2+]C1 ZINC000262024498 656127913 /nfs/dbraw/zinc/12/79/13/656127913.db2.gz GKNHKBNIFCQECW-AAEUAGOBSA-N 2 0 284.404 -0.314 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN(C)C1CC[NH2+]CC1 ZINC000311033682 656144851 /nfs/dbraw/zinc/14/48/51/656144851.db2.gz NTULXYAHKDYRJN-CYBMUJFWSA-N 2 0 259.394 -0.391 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000310959573 656144954 /nfs/dbraw/zinc/14/49/54/656144954.db2.gz PMLDESHFRAFOOI-NEPJUHHUSA-N 2 0 255.362 -0.097 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C[C@H](O)C[N@H+](C)CCOC ZINC000311456049 656145653 /nfs/dbraw/zinc/14/56/53/656145653.db2.gz KOJATYKQGUZXOB-ZIAGYGMSSA-N 2 0 273.421 -0.001 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000311601515 656145674 /nfs/dbraw/zinc/14/56/74/656145674.db2.gz TUBGZBZJSDGWAF-KGLIPLIRSA-N 2 0 271.405 -0.389 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000311169813 656145704 /nfs/dbraw/zinc/14/57/04/656145704.db2.gz RZFYWDUEFOTBCM-RWMBFGLXSA-N 2 0 259.394 -0.405 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000311588348 656145707 /nfs/dbraw/zinc/14/57/07/656145707.db2.gz QINKEVULVIWIOO-MJBXVCDLSA-N 2 0 271.405 -0.533 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000311601511 656145844 /nfs/dbraw/zinc/14/58/44/656145844.db2.gz TUBGZBZJSDGWAF-KBPBESRZSA-N 2 0 271.405 -0.389 20 0 CBADRP COCCN(C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000313080215 656147662 /nfs/dbraw/zinc/14/76/62/656147662.db2.gz LGGDWXKNUBOUCX-XQLPTFJDSA-N 2 0 285.432 -0.015 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000423147535 656167528 /nfs/dbraw/zinc/16/75/28/656167528.db2.gz CSYVFZDRUWKEDQ-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000702354422 656180001 /nfs/dbraw/zinc/18/00/01/656180001.db2.gz YAFACFWHICXMDY-NEPJUHHUSA-N 2 0 256.394 -0.182 20 0 CBADRP CN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1C[NH+]2CCC1CC2 ZINC000702421416 656180639 /nfs/dbraw/zinc/18/06/39/656180639.db2.gz OWPQPJFJVFSTEC-RYUDHWBXSA-N 2 0 254.378 -0.572 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000702387094 656180673 /nfs/dbraw/zinc/18/06/73/656180673.db2.gz JWMKFNICNHFMLU-LBPRGKRZSA-N 2 0 272.393 -0.944 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000702416966 656180728 /nfs/dbraw/zinc/18/07/28/656180728.db2.gz JXSRDILIHBXLAI-OLZOCXBDSA-N 2 0 268.405 -0.038 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000702424650 656181386 /nfs/dbraw/zinc/18/13/86/656181386.db2.gz ZCTOAGALRHJOFH-QJPTWQEYSA-N 2 0 254.378 -0.382 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000703153698 656183007 /nfs/dbraw/zinc/18/30/07/656183007.db2.gz RCPYMTQHLFWJIF-YFKTTZPYSA-N 2 0 269.345 -0.918 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000703153694 656183125 /nfs/dbraw/zinc/18/31/25/656183125.db2.gz RCPYMTQHLFWJIF-QCNOEVLYSA-N 2 0 269.345 -0.918 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703538530 656183477 /nfs/dbraw/zinc/18/34/77/656183477.db2.gz OKONMGNBETVYBU-JOYOIKCWSA-N 2 0 254.334 -0.627 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH2+]C[C@H]1C(C)C ZINC000704595586 656184310 /nfs/dbraw/zinc/18/43/10/656184310.db2.gz NKFKHOFVCWNYRW-KBPBESRZSA-N 2 0 273.421 -0.145 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000710128307 656197148 /nfs/dbraw/zinc/19/71/48/656197148.db2.gz PEUSHDNCMFPIRT-GRYCIOLGSA-N 2 0 267.373 -0.036 20 0 CBADRP C[NH+](C)CC1(O)CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000710571780 656198568 /nfs/dbraw/zinc/19/85/68/656198568.db2.gz WFFORQQALXXAPF-AWEZNQCLSA-N 2 0 285.432 -0.168 20 0 CBADRP CN1CC[C@H]([NH+]2CCC(O)(C[NH+](C)C)CC2)C1=O ZINC000710623795 656199033 /nfs/dbraw/zinc/19/90/33/656199033.db2.gz QXPCCAFSMYIFHV-NSHDSACASA-N 2 0 255.362 -0.394 20 0 CBADRP CCOC[C@@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710627740 656199071 /nfs/dbraw/zinc/19/90/71/656199071.db2.gz RRWJVVJKFDXSBW-LBPRGKRZSA-N 2 0 260.378 -0.228 20 0 CBADRP COC[C@@]1(C(=O)NCCC[NH+](C)C)C[NH2+]CCO1 ZINC000710713278 656199712 /nfs/dbraw/zinc/19/97/12/656199712.db2.gz VGLBGFPGKMXXRS-GFCCVEGCSA-N 2 0 259.350 -0.941 20 0 CBADRP COC[C@]1(C(=O)NC[C@H](C)[NH+](C)C)C[NH2+]CCO1 ZINC000710711162 656199779 /nfs/dbraw/zinc/19/97/79/656199779.db2.gz NHSFZKYQELAYPB-JQWIXIFHSA-N 2 0 259.350 -0.942 20 0 CBADRP COC[C@]1(C(=O)NCC[N@H+](C)C2CC2)C[NH2+]CCO1 ZINC000710755341 656200459 /nfs/dbraw/zinc/20/04/59/656200459.db2.gz NPDAMIWYTBTGAM-ZDUSSCGKSA-N 2 0 271.361 -0.798 20 0 CBADRP COC[C@@]1(C(=O)N[C@H]2CCC[N@H+](C)C2)C[NH2+]CCO1 ZINC000710755550 656200535 /nfs/dbraw/zinc/20/05/35/656200535.db2.gz PTZIWTJKWSDPRE-WCQYABFASA-N 2 0 271.361 -0.798 20 0 CBADRP COC[C@]1(C(=O)NC2CC[NH+](C)CC2)C[NH2+]CCO1 ZINC000710756085 656201091 /nfs/dbraw/zinc/20/10/91/656201091.db2.gz UNEWZSPKWPEXIZ-ZDUSSCGKSA-N 2 0 271.361 -0.798 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@@]2(COC)C[NH2+]CCO2)CC1 ZINC000710784213 656201698 /nfs/dbraw/zinc/20/16/98/656201698.db2.gz PXUQZSYAZUYOJX-AWEZNQCLSA-N 2 0 285.388 -0.408 20 0 CBADRP COC[C@@]1(C(=O)N(C)C2CC[NH+](C)CC2)C[NH2+]CCO1 ZINC000710782022 656202060 /nfs/dbraw/zinc/20/20/60/656202060.db2.gz DPFNYUYAAXIMRI-CQSZACIVSA-N 2 0 285.388 -0.456 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710829888 656204561 /nfs/dbraw/zinc/20/45/61/656204561.db2.gz PTVVVHRTIWKERA-TZMCWYRMSA-N 2 0 287.404 -0.162 20 0 CBADRP COC[C@]1(C(=O)NCC(C)(C)[NH+](C)C)C[NH2+]CCO1 ZINC000710840006 656204869 /nfs/dbraw/zinc/20/48/69/656204869.db2.gz WLUAQGXODAXILJ-ZDUSSCGKSA-N 2 0 273.377 -0.552 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710830410 656204960 /nfs/dbraw/zinc/20/49/60/656204960.db2.gz QVSFETMMKQVUPN-CQSZACIVSA-N 2 0 287.404 -0.208 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CCC1(C)C ZINC000712671410 656211124 /nfs/dbraw/zinc/21/11/24/656211124.db2.gz BCROPBJQQXMIPU-UHFFFAOYSA-N 2 0 282.388 -0.639 20 0 CBADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000714246148 656214336 /nfs/dbraw/zinc/21/43/36/656214336.db2.gz JILGAKDLWUHHSY-DCAQKATOSA-N 2 0 264.391 -0.095 20 0 CBADRP CCn1cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)nn1 ZINC000714443933 656216174 /nfs/dbraw/zinc/21/61/74/656216174.db2.gz ASHVJEHQENLEBT-NSHDSACASA-N 2 0 280.376 -0.415 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000715032528 656218088 /nfs/dbraw/zinc/21/80/88/656218088.db2.gz DJVINRWSYPGKAR-ILXRZTDVSA-N 2 0 285.432 -0.001 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1(F)F ZINC000715094850 656218649 /nfs/dbraw/zinc/21/86/49/656218649.db2.gz PFLNIGNLIJXKGM-LMLFDSFASA-N 2 0 289.326 -0.194 20 0 CBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000715223952 656218981 /nfs/dbraw/zinc/21/89/81/656218981.db2.gz RMXQGKSQDFEURE-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000715528902 656220199 /nfs/dbraw/zinc/22/01/99/656220199.db2.gz BYGKXNVHWAGOKX-NWDGAFQWSA-N 2 0 290.433 -0.401 20 0 CBADRP CN(CC[N@H+](C)CCO)C(=O)C12CC[NH+](CC1)C2 ZINC000715878786 656220856 /nfs/dbraw/zinc/22/08/56/656220856.db2.gz YNMFSPLDSGERSP-UHFFFAOYSA-N 2 0 255.362 -0.535 20 0 CBADRP O=C(N1CCC[N@@H+](CCO)CC1)C12CC[NH+](CC1)C2 ZINC000715843711 656221029 /nfs/dbraw/zinc/22/10/29/656221029.db2.gz TUGLXCJIHKCLTE-UHFFFAOYSA-N 2 0 267.373 -0.391 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NCC[N@H+](C)C1CC1 ZINC000719192375 656235097 /nfs/dbraw/zinc/23/50/97/656235097.db2.gz NFRUYKJFHIYXMP-UHFFFAOYSA-N 2 0 251.334 -0.297 20 0 CBADRP C[NH+](C)CCNC(=S)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000780224319 656240838 /nfs/dbraw/zinc/24/08/38/656240838.db2.gz CERGQOQEXQKMOK-UHFFFAOYSA-N 2 0 288.461 -0.189 20 0 CBADRP Cn1ncc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000877669853 656248691 /nfs/dbraw/zinc/24/86/91/656248691.db2.gz BYHRNNBODIOEGS-CHWSQXEVSA-N 2 0 280.420 -0.014 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000884640336 656253480 /nfs/dbraw/zinc/25/34/80/656253480.db2.gz BHWRDCRPRRDDRE-NWDGAFQWSA-N 2 0 296.415 -0.075 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CCCC1 ZINC000884640417 656253666 /nfs/dbraw/zinc/25/36/66/656253666.db2.gz DWUQBQZDTUMDOF-AAEUAGOBSA-N 2 0 294.399 -0.450 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000884687020 656253926 /nfs/dbraw/zinc/25/39/26/656253926.db2.gz FLRWLDKUYDQDBU-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CCN(C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CC[NH2+]C1 ZINC000884774061 656254848 /nfs/dbraw/zinc/25/48/48/656254848.db2.gz BEDPGDLVHYIFKS-RWMBFGLXSA-N 2 0 296.415 -0.347 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)C1 ZINC000884787516 656255213 /nfs/dbraw/zinc/25/52/13/656255213.db2.gz UWNSOVKUIHZVLR-SRVKXCTJSA-N 2 0 282.388 -0.465 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000892435549 656271325 /nfs/dbraw/zinc/27/13/25/656271325.db2.gz ADYCQNVRBXXVDJ-SRVKXCTJSA-N 2 0 270.377 -0.127 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895713970 656282855 /nfs/dbraw/zinc/28/28/55/656282855.db2.gz XOIMMLHEIKLFQU-AWEZNQCLSA-N 2 0 299.415 -0.208 20 0 CBADRP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000897440082 656292930 /nfs/dbraw/zinc/29/29/30/656292930.db2.gz MPVLAQMGVMJNLH-DGCLKSJQSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000897440083 656293155 /nfs/dbraw/zinc/29/31/55/656293155.db2.gz MPVLAQMGVMJNLH-WCQYABFASA-N 2 0 257.378 -0.101 20 0 CBADRP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CC([NH+]2CCCC2)C1 ZINC000898608255 656300707 /nfs/dbraw/zinc/30/07/07/656300707.db2.gz MXMYJYGNYRNTGD-CQSZACIVSA-N 2 0 278.400 -0.317 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CCN1C ZINC000900846591 656313483 /nfs/dbraw/zinc/31/34/83/656313483.db2.gz IGIFQSWEZRGSTH-WZRBSPASSA-N 2 0 255.362 -0.396 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000903754976 656322560 /nfs/dbraw/zinc/32/25/60/656322560.db2.gz WQONUQRYDBPDGK-STQMWFEESA-N 2 0 296.415 -0.264 20 0 CBADRP CS(=O)(=O)NC[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904301465 656324296 /nfs/dbraw/zinc/32/42/96/656324296.db2.gz IRTRUGZEGFAKSH-SDDRHHMPSA-N 2 0 275.418 -0.015 20 0 CBADRP CCS(=O)(=O)NCCC[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904363200 656324820 /nfs/dbraw/zinc/32/48/20/656324820.db2.gz XTTLUKXSSITDFU-UHFFFAOYSA-N 2 0 292.449 -0.672 20 0 CBADRP [NH3+]CCN1CCC(N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000904354847 656324943 /nfs/dbraw/zinc/32/49/43/656324943.db2.gz JQQHETMQCDOTOL-NSHDSACASA-N 2 0 262.348 -0.004 20 0 CBADRP CN1CCN(Cc2ccc(N3CC[NH2+]CC3)o2)[C@H](C[NH3+])C1 ZINC000904350939 656324975 /nfs/dbraw/zinc/32/49/75/656324975.db2.gz RODNGZYRQGDOPT-CYBMUJFWSA-N 2 0 293.415 -0.236 20 0 CBADRP CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904380405 656325712 /nfs/dbraw/zinc/32/57/12/656325712.db2.gz BRSJIPAJAUUYDX-UTUOFQBUSA-N 2 0 275.418 -0.015 20 0 CBADRP Cn1cnnc1N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904376932 656325915 /nfs/dbraw/zinc/32/59/15/656325915.db2.gz ZBZWYSUZGNPLMU-PHIMTYICSA-N 2 0 250.350 -0.326 20 0 CBADRP [NH3+]CCN1CCC([NH2+][C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000904369149 656325936 /nfs/dbraw/zinc/32/59/36/656325936.db2.gz ZIGBCAYEPJCKKL-LBPRGKRZSA-N 2 0 266.389 -0.238 20 0 CBADRP [NH3+]CC1(O)CC[NH+](Cc2ccc(N3CC[NH2+]CC3)o2)CC1 ZINC000904372707 656326223 /nfs/dbraw/zinc/32/62/23/656326223.db2.gz HEESCSYOQNDACF-UHFFFAOYSA-N 3 0 294.399 -0.025 20 0 CBADRP [NH3+]CCN1CCC([NH2+][C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000904369148 656326260 /nfs/dbraw/zinc/32/62/60/656326260.db2.gz ZIGBCAYEPJCKKL-GFCCVEGCSA-N 2 0 266.389 -0.238 20 0 CBADRP C[C@]1(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)CC[NH2+]C1 ZINC000904428610 656326504 /nfs/dbraw/zinc/32/65/04/656326504.db2.gz NANRDNKZZCZAAI-QWRGUYRKSA-N 2 0 261.391 -0.404 20 0 CBADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)CC[NH2+]1 ZINC000904429182 656326556 /nfs/dbraw/zinc/32/65/56/656326556.db2.gz YRUDBTYWHKEEDO-IJLUTSLNSA-N 2 0 275.418 -0.015 20 0 CBADRP C[C@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@@H]1C[NH3+] ZINC000904410970 656326943 /nfs/dbraw/zinc/32/69/43/656326943.db2.gz ICHZMQGPEFZYDV-WDEREUQCSA-N 2 0 280.372 -0.499 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)C[C@]2(C)C1 ZINC000904959754 656330535 /nfs/dbraw/zinc/33/05/35/656330535.db2.gz MAXPMVKAVNAKAA-XUJVJEKNSA-N 2 0 294.399 -0.654 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000904961948 656330637 /nfs/dbraw/zinc/33/06/37/656330637.db2.gz XJCVQPRSEKGWOE-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)CC[NH2+]1 ZINC000904964109 656331066 /nfs/dbraw/zinc/33/10/66/656331066.db2.gz KJHQOXKCILSFEI-GFCCVEGCSA-N 2 0 298.431 -0.147 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000905002642 656332241 /nfs/dbraw/zinc/33/22/41/656332241.db2.gz UIJNAJULASIROG-SWLSCSKDSA-N 2 0 296.415 -0.264 20 0 CBADRP COCC[N@H+](C)CCC[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905036740 656335804 /nfs/dbraw/zinc/33/58/04/656335804.db2.gz UKVDOZSKMKGWAM-ZDUSSCGKSA-N 2 0 290.404 -0.553 20 0 CBADRP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1(O)CCOCC1 ZINC000905060958 656336502 /nfs/dbraw/zinc/33/65/02/656336502.db2.gz ZMVJSXYIAMQCIF-JSGCOSHPSA-N 2 0 284.400 -0.037 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@H](O)C2(O)CCC2)C1 ZINC000905081575 656337465 /nfs/dbraw/zinc/33/74/65/656337465.db2.gz IGSKDKHIRLGVEL-STQMWFEESA-N 2 0 299.415 -0.561 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905095100 656337565 /nfs/dbraw/zinc/33/75/65/656337565.db2.gz HYNRCTMBLJOGGM-QWHCGFSZSA-N 2 0 271.405 -0.512 20 0 CBADRP C[NH+](C)CCOCC[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905202622 656345423 /nfs/dbraw/zinc/34/54/23/656345423.db2.gz SJKKJFOXDYOPCB-LBPRGKRZSA-N 2 0 260.378 -0.180 20 0 CBADRP C[NH+](C)CCOCC[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905201992 656345425 /nfs/dbraw/zinc/34/54/25/656345425.db2.gz QMSCKTUMCHNEAC-LBPRGKRZSA-N 2 0 276.377 -0.943 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NCC(C)(C)[NH+](C)C)C1 ZINC000905221982 656346174 /nfs/dbraw/zinc/34/61/74/656346174.db2.gz HYDIGQXOVSJTRT-UHFFFAOYSA-N 2 0 270.421 -0.064 20 0 CBADRP [NH3+]CC1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905328514 656348837 /nfs/dbraw/zinc/34/88/37/656348837.db2.gz BBLCTFIINVDWSM-UHFFFAOYSA-N 2 0 275.418 -0.014 20 0 CBADRP CN(C1CC([NH3+])C1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905345360 656351029 /nfs/dbraw/zinc/35/10/29/656351029.db2.gz VRFYFAGIWHOGPL-UHFFFAOYSA-N 2 0 261.391 -0.263 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905343993 656351161 /nfs/dbraw/zinc/35/11/61/656351161.db2.gz SVVWAYSZKFCLOX-PWSUYJOCSA-N 2 0 275.418 -0.015 20 0 CBADRP C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905344643 656351171 /nfs/dbraw/zinc/35/11/71/656351171.db2.gz QDPYWZARNDBRCZ-CMPLNLGQSA-N 2 0 275.418 -0.097 20 0 CBADRP CN(CC(C)(C)[NH3+])S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905345230 656351364 /nfs/dbraw/zinc/35/13/64/656351364.db2.gz FJMSWGJFEZNUAH-UHFFFAOYSA-N 2 0 263.407 -0.015 20 0 CBADRP [NH3+]C[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CCCO1 ZINC000905344680 656351380 /nfs/dbraw/zinc/35/13/80/656351380.db2.gz QKWPMRDKXPELKL-GFCCVEGCSA-N 2 0 291.417 -0.635 20 0 CBADRP C[NH2+]C[C@H](O)CNC[C@@H](O)CC1(O)CCCCC1 ZINC000905352479 656352726 /nfs/dbraw/zinc/35/27/26/656352726.db2.gz DHXLSGKMHBWSSJ-RYUDHWBXSA-N 2 0 260.378 -0.398 20 0 CBADRP CC1(C)[NH2+]CC[C@H]1NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000905356381 656353225 /nfs/dbraw/zinc/35/32/25/656353225.db2.gz ATMFUENTUZTVFN-VHSXEESVSA-N 2 0 277.390 -0.965 20 0 CBADRP C[C@]1(NS(=O)(=O)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC000905363070 656354021 /nfs/dbraw/zinc/35/40/21/656354021.db2.gz YYYTXAKDTIWPBV-NSHDSACASA-N 2 0 261.391 -0.343 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905363484 656354032 /nfs/dbraw/zinc/35/40/32/656354032.db2.gz XKIXWUIXGKLUKP-PWSUYJOCSA-N 2 0 275.418 -0.239 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2ccns2)CC1 ZINC000905417229 656356604 /nfs/dbraw/zinc/35/66/04/656356604.db2.gz JYEOLNJREUFHTG-LBPRGKRZSA-N 2 0 284.429 -0.117 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000905450191 656357540 /nfs/dbraw/zinc/35/75/40/656357540.db2.gz GUYHDAFJWHYCGZ-ZIAGYGMSSA-N 2 0 283.416 -0.104 20 0 CBADRP OC[C@H](C[C@@H]1CCCO1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000905462890 656358501 /nfs/dbraw/zinc/35/85/01/656358501.db2.gz XFJBJKLESARKER-MJBXVCDLSA-N 2 0 272.389 -0.037 20 0 CBADRP CCO[C@@H](CNC[C@@H](O)C[NH+]1CCCC1)C[NH+](C)C ZINC000905574855 656362087 /nfs/dbraw/zinc/36/20/87/656362087.db2.gz DSUXCAFXEBCOAQ-KGLIPLIRSA-N 2 0 273.421 -0.001 20 0 CBADRP CN(Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H](O)CO ZINC000905710107 656366604 /nfs/dbraw/zinc/36/66/04/656366604.db2.gz SXXTYZZDUCYMFE-UONOGXRCSA-N 2 0 268.357 -0.578 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1Cn1cnc2c(c1=O)CC[NH2+]CC2 ZINC000905733571 656366731 /nfs/dbraw/zinc/36/67/31/656366731.db2.gz DMSSWEPDBTWVLS-MNOVXSKESA-N 2 0 262.357 -0.213 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NC[C@@H]2CCC[NH+](C)C2)C1 ZINC000906622110 656394610 /nfs/dbraw/zinc/39/46/10/656394610.db2.gz OWEOEYDCQNQNQO-ZDUSSCGKSA-N 2 0 282.432 -0.062 20 0 CBADRP C[C@H]([NH2+]C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1)C(N)=O ZINC000996667033 656451912 /nfs/dbraw/zinc/45/19/12/656451912.db2.gz VYUQCQQMGJWPAP-NSHDSACASA-N 2 0 296.415 -0.075 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000997301020 656472762 /nfs/dbraw/zinc/47/27/62/656472762.db2.gz ZSKYULNRRMQZMR-JTQLQIEISA-N 2 0 268.361 -0.996 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000907386531 656498389 /nfs/dbraw/zinc/49/83/89/656498389.db2.gz DXVRHEICTUGIQQ-ZIAGYGMSSA-N 2 0 285.388 -0.984 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000907386528 656498450 /nfs/dbraw/zinc/49/84/50/656498450.db2.gz DXVRHEICTUGIQQ-KBPBESRZSA-N 2 0 285.388 -0.984 20 0 CBADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]CCO)C1 ZINC000998535728 656544583 /nfs/dbraw/zinc/54/45/83/656544583.db2.gz PMDSVNFCMHKTHL-HTAVTVPLSA-N 2 0 255.362 -0.348 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]CCO)C2)CC[N@@H+]1C ZINC000998792033 656586572 /nfs/dbraw/zinc/58/65/72/656586572.db2.gz QZOHDJMXPJJZGW-IKWCTNDRSA-N 2 0 269.389 -0.102 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NCC[NH+]2CC=CCC2)C1 ZINC000907884593 656603247 /nfs/dbraw/zinc/60/32/47/656603247.db2.gz BUGSUBIFSDARCA-UHFFFAOYSA-N 2 0 280.416 -0.142 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCN1CC=CCC1 ZINC000907887619 656604528 /nfs/dbraw/zinc/60/45/28/656604528.db2.gz PVUQYBVTPMIHPN-OCCSQVGLSA-N 2 0 267.373 -0.180 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC000999208232 656617100 /nfs/dbraw/zinc/61/71/00/656617100.db2.gz MFGQHECDKVWOHI-RWMBFGLXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC000999293948 656620263 /nfs/dbraw/zinc/62/02/63/656620263.db2.gz NYWBFUONPANVNI-ZSVAQUKISA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@H]([NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC000999339424 656624432 /nfs/dbraw/zinc/62/44/32/656624432.db2.gz LWKZRYYAVHVTJL-PKSQDBQZSA-N 2 0 296.415 -0.219 20 0 CBADRP C[NH+](C)C1(C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)CCC1 ZINC000999350631 656625718 /nfs/dbraw/zinc/62/57/18/656625718.db2.gz ZCPJHVAENOKJPM-NSHDSACASA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]CCO)C2)C1 ZINC000999408418 656628771 /nfs/dbraw/zinc/62/87/71/656628771.db2.gz KLXJSBVJRFUFOC-PNESKVBLSA-N 2 0 269.389 -0.101 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999594538 656636337 /nfs/dbraw/zinc/63/63/37/656636337.db2.gz BIHZIRBWKXPSTF-GFCCVEGCSA-N 2 0 294.399 -0.319 20 0 CBADRP CCN1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)[C@H](C)C1 ZINC000908136248 656651821 /nfs/dbraw/zinc/65/18/21/656651821.db2.gz BKDVZRCFDJORJH-DYEKYZERSA-N 2 0 269.389 -0.006 20 0 CBADRP CC[C@H]([NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC000999834764 656656461 /nfs/dbraw/zinc/65/64/61/656656461.db2.gz VXBZSUDQBLUMEK-BPCQOVAHSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000908196717 656662849 /nfs/dbraw/zinc/66/28/49/656662849.db2.gz ZEWIIRLUZBAYSP-AAEUAGOBSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CCn1nccc1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000908201811 656664678 /nfs/dbraw/zinc/66/46/78/656664678.db2.gz RYEVLNDKLJVAEY-LLVKDONJSA-N 2 0 283.376 -0.903 20 0 CBADRP C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000908200274 656665813 /nfs/dbraw/zinc/66/58/13/656665813.db2.gz IDPLPMYGCNGFJO-WDEREUQCSA-N 2 0 257.378 -0.102 20 0 CBADRP C[NH+](C)C[C@@H](CO)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000908201810 656665988 /nfs/dbraw/zinc/66/59/88/656665988.db2.gz RWRUREDVLREUMT-LBPRGKRZSA-N 2 0 285.388 -0.864 20 0 CBADRP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000908346339 656710121 /nfs/dbraw/zinc/71/01/21/656710121.db2.gz GBSZXQQCJFJCMP-MNXVOIDGSA-N 2 0 267.373 -0.396 20 0 CBADRP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000908363562 656712088 /nfs/dbraw/zinc/71/20/88/656712088.db2.gz RCLLAUXHDGSHCC-CFVMTHIKSA-N 2 0 281.400 -0.004 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCO)CC1 ZINC001000517331 656732348 /nfs/dbraw/zinc/73/23/48/656732348.db2.gz GMWXYZHVYLZERN-ZDUSSCGKSA-N 2 0 267.373 -0.179 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001000918417 656774548 /nfs/dbraw/zinc/77/45/48/656774548.db2.gz DZDPUFJCHUGGKA-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP CCN1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001000979779 656779870 /nfs/dbraw/zinc/77/98/70/656779870.db2.gz TVTZBUUWNOAAKV-CHWSQXEVSA-N 2 0 285.388 -0.720 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000909144909 656782036 /nfs/dbraw/zinc/78/20/36/656782036.db2.gz AOXLTHZMNIREMW-WDNDVIMCSA-N 2 0 280.416 -0.502 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001001007436 656785010 /nfs/dbraw/zinc/78/50/10/656785010.db2.gz KMYIJFGCAWWGRX-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP CN1CCC[C@H]1C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC000909313730 656806034 /nfs/dbraw/zinc/80/60/34/656806034.db2.gz SZZHESSUYWDRET-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001001831989 656821662 /nfs/dbraw/zinc/82/16/62/656821662.db2.gz BTUMFTNVJFWOTH-AAEUAGOBSA-N 2 0 296.415 -0.502 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CC(N)=O)CC2)C1 ZINC001002122119 656826645 /nfs/dbraw/zinc/82/66/45/656826645.db2.gz ZJTUMDWWGRCRFJ-GFCCVEGCSA-N 2 0 282.388 -0.748 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC001002127603 656827059 /nfs/dbraw/zinc/82/70/59/656827059.db2.gz TWNIZKFZAWGTEF-ZDUSSCGKSA-N 2 0 269.389 -0.241 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](CCO)CC1 ZINC001003636857 656866018 /nfs/dbraw/zinc/86/60/18/656866018.db2.gz XNWWQBPDEZFVPP-WCQYABFASA-N 2 0 269.389 -0.243 20 0 CBADRP CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004150323 656881888 /nfs/dbraw/zinc/88/18/88/656881888.db2.gz RAXFJIZNDWSXAK-NWDGAFQWSA-N 2 0 296.415 -0.347 20 0 CBADRP CCN(C(=O)C(=O)NC[C@@H]1CCN1CC)[C@H]1CC[N@H+](C)C1 ZINC000910735901 656887495 /nfs/dbraw/zinc/88/74/95/656887495.db2.gz GWIHLOUZHGBJPL-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000910930280 656905615 /nfs/dbraw/zinc/90/56/15/656905615.db2.gz IEHCIJBFJFMJRM-JQWIXIFHSA-N 2 0 255.362 -0.348 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000910958050 656912604 /nfs/dbraw/zinc/91/26/04/656912604.db2.gz LZSPICNHKOIRMD-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000910962958 656914694 /nfs/dbraw/zinc/91/46/94/656914694.db2.gz HQFOPBDYGBQFET-ZYHUDNBSSA-N 2 0 282.388 -0.689 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000910962928 656914790 /nfs/dbraw/zinc/91/47/90/656914790.db2.gz HMHSNIOCVFTPGZ-UHFFFAOYSA-N 2 0 268.361 -0.806 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000910963537 656914963 /nfs/dbraw/zinc/91/49/63/656914963.db2.gz LAVPCQVQQPFGIK-LBPRGKRZSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000910974953 656916619 /nfs/dbraw/zinc/91/66/19/656916619.db2.gz BGVVSNPNAHJIQP-UPJWGTAASA-N 2 0 298.431 -0.195 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000910975815 656918762 /nfs/dbraw/zinc/91/87/62/656918762.db2.gz GZVYDYDEIJCNMG-IJLUTSLNSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000910976322 656919871 /nfs/dbraw/zinc/91/98/71/656919871.db2.gz HXJMALZIUHFEHA-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[N@@H+]1C ZINC000911007233 656927993 /nfs/dbraw/zinc/92/79/93/656927993.db2.gz IXSCHEDDZWFYIR-KIJLLGNVSA-N 2 0 294.399 -0.406 20 0 CBADRP C[N@H+](CCCCNC(=O)C(=O)NCC1([NH3+])CC1)C1CC1 ZINC000911019494 656932506 /nfs/dbraw/zinc/93/25/06/656932506.db2.gz SXEUZSIMLQBEFD-UHFFFAOYSA-N 2 0 282.388 -0.416 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911030105 656934375 /nfs/dbraw/zinc/93/43/75/656934375.db2.gz QJKPJTBZGVUCNZ-NEPJUHHUSA-N 2 0 296.415 -0.170 20 0 CBADRP CC1(C)CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1[NH3+] ZINC000911072238 656939248 /nfs/dbraw/zinc/93/92/48/656939248.db2.gz HOUCSAIRBNKHKT-CMPLNLGQSA-N 2 0 294.399 -0.465 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911072357 656939652 /nfs/dbraw/zinc/93/96/52/656939652.db2.gz JOWCRMSFDBCMEV-VCDKRKBESA-N 2 0 292.383 -0.652 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000911073314 656940289 /nfs/dbraw/zinc/94/02/89/656940289.db2.gz RNNOYMOMFLKOSW-IJLUTSLNSA-N 2 0 284.404 -0.504 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911073825 656940783 /nfs/dbraw/zinc/94/07/83/656940783.db2.gz WLZQNANXTFQBIL-WFASDCNBSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000911081304 656941713 /nfs/dbraw/zinc/94/17/13/656941713.db2.gz VUWVGEABBREOQX-FVCCEPFGSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000911081305 656942473 /nfs/dbraw/zinc/94/24/73/656942473.db2.gz VUWVGEABBREOQX-MROQNXINSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911146266 656962587 /nfs/dbraw/zinc/96/25/87/656962587.db2.gz KPLYQPQGKRBALP-ONGXEEELSA-N 2 0 280.372 -0.807 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000911147764 656962694 /nfs/dbraw/zinc/96/26/94/656962694.db2.gz JYODDGWPFAQSSV-YDHLFZDLSA-N 2 0 299.415 -0.596 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911144705 656964043 /nfs/dbraw/zinc/96/40/43/656964043.db2.gz CXYDVNBEOXTAGB-GVXVVHGQSA-N 2 0 294.399 -0.465 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911146263 656964091 /nfs/dbraw/zinc/96/40/91/656964091.db2.gz KPLYQPQGKRBALP-GXSJLCMTSA-N 2 0 280.372 -0.807 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[N@@H+]1C1CC1 ZINC000911148333 656964946 /nfs/dbraw/zinc/96/49/46/656964946.db2.gz XCNQRUSZVAXGCK-DDHJBXDOSA-N 2 0 294.399 -0.419 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[N@@H+]1C1CC1 ZINC000911148335 656965539 /nfs/dbraw/zinc/96/55/39/656965539.db2.gz XCNQRUSZVAXGCK-KKOKHZNYSA-N 2 0 294.399 -0.419 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)C1CC1 ZINC000911186742 656975733 /nfs/dbraw/zinc/97/57/33/656975733.db2.gz LSMMPAFSZAODFK-LBPRGKRZSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000911187357 656975764 /nfs/dbraw/zinc/97/57/64/656975764.db2.gz OHCKBDQHZPGIEY-ZYHUDNBSSA-N 2 0 282.388 -0.689 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)C1CC1 ZINC000911186740 656976376 /nfs/dbraw/zinc/97/63/76/656976376.db2.gz LSMMPAFSZAODFK-GFCCVEGCSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911188251 656977700 /nfs/dbraw/zinc/97/77/00/656977700.db2.gz SHDFKHRSJOGJKC-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H](NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000911202446 656983512 /nfs/dbraw/zinc/98/35/12/656983512.db2.gz VKYYZXLNFAOBMH-IJLUTSLNSA-N 2 0 298.431 -0.197 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)[N@H+](C)C1CC1 ZINC000911204424 656985177 /nfs/dbraw/zinc/98/51/77/656985177.db2.gz COGYEQDFEJRYAL-PWSUYJOCSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)C1=CC[N@H+](C)CC1 ZINC000911217368 656988819 /nfs/dbraw/zinc/98/88/19/656988819.db2.gz BGALRUYXKXKOSR-NQBHXWOUSA-N 2 0 294.399 -0.441 20 0 CBADRP CC(C)(CNC(=O)C(=O)NCC1([NH3+])CC1)C[NH+]1CCCC1 ZINC000911230128 656991989 /nfs/dbraw/zinc/99/19/89/656991989.db2.gz OTWSSFWLPWVZSM-UHFFFAOYSA-N 2 0 296.415 -0.168 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000911244734 656995995 /nfs/dbraw/zinc/99/59/95/656995995.db2.gz RGWNKDCSNDMENE-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000911268717 657003442 /nfs/dbraw/zinc/00/34/42/657003442.db2.gz FGFZNSHDQWCMAN-LPWJVIDDSA-N 2 0 294.399 -0.547 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)C[C@]2(C)C1 ZINC000911268658 657003575 /nfs/dbraw/zinc/00/35/75/657003575.db2.gz ZAHSAPRNZBJROC-JMSVASOKSA-N 2 0 294.399 -0.735 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000911269958 657003989 /nfs/dbraw/zinc/00/39/89/657003989.db2.gz DTOFGLSEFQUQFU-ABAIWWIYSA-N 2 0 294.399 -0.735 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)C[C@]2(C)C1 ZINC000911280979 657008666 /nfs/dbraw/zinc/00/86/66/657008666.db2.gz CHAMRIDOGPZLDY-JMSVASOKSA-N 2 0 294.399 -0.735 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000911282959 657010198 /nfs/dbraw/zinc/01/01/98/657010198.db2.gz TZFUPGXFQIBKML-UHFFFAOYSA-N 2 0 286.420 -0.242 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911296702 657013987 /nfs/dbraw/zinc/01/39/87/657013987.db2.gz ZUOSUPCKPXDNNP-LLVKDONJSA-N 2 0 284.404 -0.455 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000911336810 657022335 /nfs/dbraw/zinc/02/23/35/657022335.db2.gz NVQJXNYLAWCCCC-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911338298 657022608 /nfs/dbraw/zinc/02/26/08/657022608.db2.gz IXDWIYKJWOTRIV-COPLHBTASA-N 2 0 282.388 -0.879 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000911338093 657022844 /nfs/dbraw/zinc/02/28/44/657022844.db2.gz XTBDIICQPRWXJC-JHJVBQTASA-N 2 0 296.415 -0.360 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000911337340 657023014 /nfs/dbraw/zinc/02/30/14/657023014.db2.gz RCBILZITSGNKSP-MROQNXINSA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000911365134 657027789 /nfs/dbraw/zinc/02/77/89/657027789.db2.gz BUISMGMEMZESPA-IJLUTSLNSA-N 2 0 282.388 -0.737 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000911370014 657029027 /nfs/dbraw/zinc/02/90/27/657029027.db2.gz LFOICIHBLWUYMY-YVECIDJPSA-N 2 0 296.415 -0.348 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000911370397 657029638 /nfs/dbraw/zinc/02/96/38/657029638.db2.gz YYABVBOJRXNVRF-GRYCIOLGSA-N 2 0 282.388 -0.737 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000911373867 657029759 /nfs/dbraw/zinc/02/97/59/657029759.db2.gz BOIOFKZIUQQOHW-JHJVBQTASA-N 2 0 296.415 -0.489 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911373853 657030195 /nfs/dbraw/zinc/03/01/95/657030195.db2.gz BERLVBWQJXRYBE-JHJVBQTASA-N 2 0 296.415 -0.348 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000911382489 657033067 /nfs/dbraw/zinc/03/30/67/657033067.db2.gz MWTRPRCHCKQZQS-WOPDTQHZSA-N 2 0 282.388 -0.832 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000911382742 657033138 /nfs/dbraw/zinc/03/31/38/657033138.db2.gz OJPVDCWYZMBTKS-AGIUHOORSA-N 2 0 296.415 -0.489 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000911493007 657055495 /nfs/dbraw/zinc/05/54/95/657055495.db2.gz IYTZVNRVFPUNQX-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911503179 657057533 /nfs/dbraw/zinc/05/75/33/657057533.db2.gz MLRKPPHCIQIQIM-RYUDHWBXSA-N 2 0 294.399 -0.463 20 0 CBADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911504566 657058603 /nfs/dbraw/zinc/05/86/03/657058603.db2.gz LCXJKHYGTFWHBK-UHFFFAOYSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)C[C@H]1C ZINC000911506332 657060671 /nfs/dbraw/zinc/06/06/71/657060671.db2.gz ZQDRYWMPIOZSCZ-NEPJUHHUSA-N 2 0 296.415 -0.075 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911521389 657066020 /nfs/dbraw/zinc/06/60/20/657066020.db2.gz NQULIWNLXJZKIW-LBPRGKRZSA-N 2 0 298.431 -0.101 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000911531313 657068454 /nfs/dbraw/zinc/06/84/54/657068454.db2.gz GYPHICIGGIVCDL-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911533045 657070094 /nfs/dbraw/zinc/07/00/94/657070094.db2.gz MQPNIRDUUMVCQD-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911531990 657070298 /nfs/dbraw/zinc/07/02/98/657070298.db2.gz IFUMAPWVMICVJQ-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911536802 657071431 /nfs/dbraw/zinc/07/14/31/657071431.db2.gz BHKCJGJSHZKGCX-WUHRBBMRSA-N 2 0 294.399 -0.404 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911542183 657073048 /nfs/dbraw/zinc/07/30/48/657073048.db2.gz MCMYUKLKSRRHRS-YNEHKIRRSA-N 2 0 296.415 -0.156 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911550388 657076168 /nfs/dbraw/zinc/07/61/68/657076168.db2.gz SZPLWKUWCQMJLL-OUAUKWLOSA-N 2 0 268.361 -0.985 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000911557564 657076835 /nfs/dbraw/zinc/07/68/35/657076835.db2.gz OSCKUIUTTJGXSK-HAQNSBGRSA-N 2 0 282.388 -0.606 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911562397 657079490 /nfs/dbraw/zinc/07/94/90/657079490.db2.gz BDEAPRLEWJTQKA-HAQNSBGRSA-N 2 0 284.404 -0.360 20 0 CBADRP O=C(NC1CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911627890 657087568 /nfs/dbraw/zinc/08/75/68/657087568.db2.gz DSZYIRLCFRRYLI-MFKMUULPSA-N 2 0 253.346 -0.519 20 0 CBADRP [NH3+]CCCSCCC(=O)NCCCN1CC[NH2+]CC1 ZINC000911631131 657090132 /nfs/dbraw/zinc/09/01/32/657090132.db2.gz YRQGZLOMBPUELR-UHFFFAOYSA-N 2 0 288.461 -0.130 20 0 CBADRP O=C(NC1CC[NH2+]CC1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911630269 657090198 /nfs/dbraw/zinc/09/01/98/657090198.db2.gz TWABMROMLKVLHJ-ZDUSSCGKSA-N 2 0 266.345 -0.247 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC000911633994 657091030 /nfs/dbraw/zinc/09/10/30/657091030.db2.gz LEAVJQPFXLAEQT-GXTWGEPZSA-N 2 0 269.389 -0.051 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000911646793 657094248 /nfs/dbraw/zinc/09/42/48/657094248.db2.gz AOSUJRZPMLAUFD-LLVKDONJSA-N 2 0 254.378 -0.332 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC000911657458 657098428 /nfs/dbraw/zinc/09/84/28/657098428.db2.gz UMLCVNFHWAOUJP-WDEREUQCSA-N 2 0 268.361 -0.996 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC000911657455 657098483 /nfs/dbraw/zinc/09/84/83/657098483.db2.gz UMLCVNFHWAOUJP-GHMZBOCLSA-N 2 0 268.361 -0.996 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)NCC2CC[NH2+]CC2)C1=O ZINC000911671843 657099698 /nfs/dbraw/zinc/09/96/98/657099698.db2.gz DNLGDZCWEAMDDM-GFCCVEGCSA-N 2 0 282.388 -0.701 20 0 CBADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]CCN1C ZINC000911667686 657100170 /nfs/dbraw/zinc/10/01/70/657100170.db2.gz QMGUGEDWISWNGF-OLZOCXBDSA-N 2 0 292.383 -0.285 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000911677667 657101418 /nfs/dbraw/zinc/10/14/18/657101418.db2.gz NIZSVTYZUDRDJP-CYBMUJFWSA-N 2 0 266.389 -0.367 20 0 CBADRP C[NH2+]CCCNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000911677083 657102144 /nfs/dbraw/zinc/10/21/44/657102144.db2.gz LSMMMQRXIRPOSJ-GFCCVEGCSA-N 2 0 254.334 -0.389 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC000911683434 657102977 /nfs/dbraw/zinc/10/29/77/657102977.db2.gz HBWBFEOVIJGTHD-RWMBFGLXSA-N 2 0 296.415 -0.088 20 0 CBADRP [NH3+]CCCSCCC(=O)NCCN1CC[NH2+]CC1 ZINC000911692915 657103726 /nfs/dbraw/zinc/10/37/26/657103726.db2.gz AIXAIPQNKNVCDO-UHFFFAOYSA-N 2 0 274.434 -0.520 20 0 CBADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000911694332 657106367 /nfs/dbraw/zinc/10/63/67/657106367.db2.gz VAZCYHKJNDZVON-NEPJUHHUSA-N 2 0 256.394 -0.229 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)NC[C@H]2CCC[NH2+]C2)n1 ZINC000911703125 657109850 /nfs/dbraw/zinc/10/98/50/657109850.db2.gz BJSCDUXXMRYGMJ-NSHDSACASA-N 2 0 265.361 -0.039 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911707354 657110743 /nfs/dbraw/zinc/11/07/43/657110743.db2.gz MVNUROVSIGFZDK-BZPMIXESSA-N 2 0 267.373 -0.272 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH2+]C2)C1=O ZINC000911708637 657111635 /nfs/dbraw/zinc/11/16/35/657111635.db2.gz XVXZDVMXWPGKAI-NEPJUHHUSA-N 2 0 282.388 -0.701 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)NC[C@H]2CCCC[NH2+]2)C1=O ZINC000911715452 657113214 /nfs/dbraw/zinc/11/32/14/657113214.db2.gz XGWKEMSIWIVREO-VXGBXAGGSA-N 2 0 282.388 -0.558 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911714595 657113800 /nfs/dbraw/zinc/11/38/00/657113800.db2.gz QXSLOGUGOGCKFX-AAEUAGOBSA-N 2 0 284.404 -0.266 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)Cc1csc(C[NH3+])n1 ZINC000911723519 657114832 /nfs/dbraw/zinc/11/48/32/657114832.db2.gz FJMZLJUGXFAMRY-MRVPVSSYSA-N 2 0 254.359 -0.035 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000911718707 657115604 /nfs/dbraw/zinc/11/56/04/657115604.db2.gz JRIULXHLRTVVSP-OBJOEFQTSA-N 2 0 298.431 -0.020 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)C1 ZINC000911729146 657117772 /nfs/dbraw/zinc/11/77/72/657117772.db2.gz BXYZIDZEUJWAAR-JMSVASOKSA-N 2 0 294.399 -0.558 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC000911726641 657117994 /nfs/dbraw/zinc/11/79/94/657117994.db2.gz FKBLOAAYTMODSK-QNWHQSFQSA-N 2 0 294.399 -0.845 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC000911736531 657119095 /nfs/dbraw/zinc/11/90/95/657119095.db2.gz LDQWPJBVEQMYKL-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC000911736414 657119613 /nfs/dbraw/zinc/11/96/13/657119613.db2.gz QREWQPBVRLTRQO-DYEKYZERSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@]1(C(=O)NCc2ccc(CC[NH3+])cc2)C[C@@H](O)C[NH2+]1 ZINC000911735729 657119919 /nfs/dbraw/zinc/11/99/19/657119919.db2.gz ZFYRZYJIBJMJRR-UKRRQHHQSA-N 2 0 277.368 -0.083 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)C1=NOC2(C1)CC[NH2+]CC2 ZINC000911752278 657121012 /nfs/dbraw/zinc/12/10/12/657121012.db2.gz SYYZNYFMSZZOMW-JTQLQIEISA-N 2 0 266.345 -0.247 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911751770 657121060 /nfs/dbraw/zinc/12/10/60/657121060.db2.gz OIXRLZNSIRQHLW-CMPLNLGQSA-N 2 0 270.377 -0.656 20 0 CBADRP O=C(NCC[NH2+]C1CC1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911755639 657122495 /nfs/dbraw/zinc/12/24/95/657122495.db2.gz SRUQJVLIJPVHEX-ZDUSSCGKSA-N 2 0 266.345 -0.247 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)NCC[NH2+]C2CC2)CCOCC1 ZINC000911752666 657122632 /nfs/dbraw/zinc/12/26/32/657122632.db2.gz RIJHEEUIGQRTKF-JTQLQIEISA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)NC[C@H]2CCC[NH2+]2)CCOCC1 ZINC000911753770 657122901 /nfs/dbraw/zinc/12/29/01/657122901.db2.gz GZRQSGAZVMMAQZ-GHMZBOCLSA-N 2 0 255.362 -0.001 20 0 CBADRP CCCN(C(=O)[C@H]1CCCN(CC[NH3+])C1=O)[C@@H]1CC[NH2+]C1 ZINC000911766481 657124538 /nfs/dbraw/zinc/12/45/38/657124538.db2.gz DZHKMHNELDHXEY-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911774522 657125847 /nfs/dbraw/zinc/12/58/47/657125847.db2.gz JGSLWZDCJZLNBJ-OCCSQVGLSA-N 2 0 266.389 -0.508 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)C1 ZINC000911773614 657126103 /nfs/dbraw/zinc/12/61/03/657126103.db2.gz DUVHHCLXRXNHDU-FZMZJTMJSA-N 2 0 280.372 -0.047 20 0 CBADRP C[NH2+]CC1CCN(C(=O)CCNC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000911777393 657127014 /nfs/dbraw/zinc/12/70/14/657127014.db2.gz KAISVZRPTVIUCY-CQSZACIVSA-N 2 0 298.431 -0.066 20 0 CBADRP C[NH2+]CC1CCN(C(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000911777391 657127273 /nfs/dbraw/zinc/12/72/73/657127273.db2.gz KAISVZRPTVIUCY-AWEZNQCLSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)N(C)[C@@H]2CC[NH2+]C2)CCOCC1 ZINC000911787333 657128402 /nfs/dbraw/zinc/12/84/02/657128402.db2.gz IJLLICXFLMNAOV-WDEREUQCSA-N 2 0 255.362 -0.049 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000911796273 657131226 /nfs/dbraw/zinc/13/12/26/657131226.db2.gz NGIOJIANHJYCRB-NQBHXWOUSA-N 2 0 284.404 -0.315 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000911796275 657131642 /nfs/dbraw/zinc/13/16/42/657131642.db2.gz NGIOJIANHJYCRB-WZRBSPASSA-N 2 0 284.404 -0.315 20 0 CBADRP C[C@@H]1CN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC000911803995 657134482 /nfs/dbraw/zinc/13/44/82/657134482.db2.gz YIPVBAGXDLIMNW-SNVBAGLBSA-N 2 0 266.345 -0.295 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911810541 657137183 /nfs/dbraw/zinc/13/71/83/657137183.db2.gz NBIYHENWNBPNRS-SKDRFNHKSA-N 2 0 254.334 -0.310 20 0 CBADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]1C[NH2+]CCN1C ZINC000911828819 657140934 /nfs/dbraw/zinc/14/09/34/657140934.db2.gz DGTWHNCDDVJZBY-DGCLKSJQSA-N 2 0 256.394 -0.230 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC000911828124 657142036 /nfs/dbraw/zinc/14/20/36/657142036.db2.gz ZLJWWJAAKRXNKT-RWMBFGLXSA-N 2 0 296.415 -0.231 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC000911827374 657142132 /nfs/dbraw/zinc/14/21/32/657142132.db2.gz WZGZASGSXSIFQI-SDDRHHMPSA-N 2 0 254.378 -0.524 20 0 CBADRP CC1(C)C[NH2+]CCN1C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911849237 657146240 /nfs/dbraw/zinc/14/62/40/657146240.db2.gz ZBHDDHIGBGCNDQ-CYBMUJFWSA-N 2 0 255.362 -0.299 20 0 CBADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911877707 657152096 /nfs/dbraw/zinc/15/20/96/657152096.db2.gz CLRXRZOGVCOEQQ-QJPTWQEYSA-N 2 0 256.394 -0.149 20 0 CBADRP CN1CCN(C(=O)C2=CCC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000911879768 657153943 /nfs/dbraw/zinc/15/39/43/657153943.db2.gz PKDKYELMAXYFHD-GFCCVEGCSA-N 2 0 252.362 -0.603 20 0 CBADRP CN1CCN(C(=O)c2ccc3c(n2)C[NH2+]CC3)[C@@H](C[NH3+])C1 ZINC000911881040 657155298 /nfs/dbraw/zinc/15/52/98/657155298.db2.gz YXPFUNQDRPVERM-LBPRGKRZSA-N 2 0 289.383 -0.558 20 0 CBADRP C[C@@H]1C[C@H](C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC[NH2+]1 ZINC000911881284 657155938 /nfs/dbraw/zinc/15/59/38/657155938.db2.gz ZSPVVPKYYAQMDM-UTUOFQBUSA-N 2 0 254.378 -0.524 20 0 CBADRP CN1CCN(C(=O)CCSCCC[NH3+])[C@@H](C[NH3+])C1 ZINC000911880989 657155969 /nfs/dbraw/zinc/15/59/69/657155969.db2.gz XTAFRILWAYXNGN-NSHDSACASA-N 2 0 274.434 -0.440 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCO1 ZINC000911883277 657156969 /nfs/dbraw/zinc/15/69/69/657156969.db2.gz YHQQKARHLNUEHZ-DGCLKSJQSA-N 2 0 285.388 -0.328 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000911885357 657157481 /nfs/dbraw/zinc/15/74/81/657157481.db2.gz VQMBLMLXCLLCLU-KKOKHZNYSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C23CCC(CC2)[NH2+]3)CCO1 ZINC000911885854 657157734 /nfs/dbraw/zinc/15/77/34/657157734.db2.gz ZMZXLVOVVFUAPX-URAGZPLESA-N 2 0 253.346 -0.154 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCO)C1 ZINC001010383340 657172409 /nfs/dbraw/zinc/17/24/09/657172409.db2.gz UUUVNYMQOCRMBZ-VXGBXAGGSA-N 2 0 255.362 -0.347 20 0 CBADRP CN(CC[N@H+](C)CCO)C(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000912607135 657296331 /nfs/dbraw/zinc/29/63/31/657296331.db2.gz BVWCWTADCVRSPK-GFCCVEGCSA-N 2 0 289.445 -0.194 20 0 CBADRP CN(CC[N@H+](C)CCO)C(=O)[C@@H]1CCCC[NH+]1C ZINC000912606629 657296689 /nfs/dbraw/zinc/29/66/89/657296689.db2.gz UTRPXKXWTCYPQX-LBPRGKRZSA-N 2 0 257.378 -0.147 20 0 CBADRP CC[NH+]1CCN(CC(=O)N(C)CC[N@H+](C)CCO)CC1 ZINC000912606842 657296849 /nfs/dbraw/zinc/29/68/49/657296849.db2.gz YPHXFAMZYYQHIE-UHFFFAOYSA-N 2 0 286.420 -0.994 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C)C[C@H]2CO)CC[N@@H+]1C ZINC000912735630 657317863 /nfs/dbraw/zinc/31/78/63/657317863.db2.gz CBBCIPVOYYXNOA-RWMBFGLXSA-N 2 0 269.389 -0.148 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912904233 657357366 /nfs/dbraw/zinc/35/73/66/657357366.db2.gz SJWNFLBULVDAOI-SCRDCRAPSA-N 2 0 267.373 -0.252 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001015322551 657431417 /nfs/dbraw/zinc/43/14/17/657431417.db2.gz CRIGDYYAARQIJZ-DNCHLWJUSA-N 2 0 295.383 -0.968 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015654536 657504701 /nfs/dbraw/zinc/50/47/01/657504701.db2.gz YVQJSLWBCCWULP-WCQYABFASA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015654534 657504915 /nfs/dbraw/zinc/50/49/15/657504915.db2.gz YVQJSLWBCCWULP-AAEUAGOBSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CCO)C2)C1 ZINC001015705086 657523588 /nfs/dbraw/zinc/52/35/88/657523588.db2.gz HTVMGUMVEPIJGZ-VXGBXAGGSA-N 2 0 255.362 -0.489 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC23CC[NH+](CC2)C3)CC1=O ZINC000913629632 657567777 /nfs/dbraw/zinc/56/77/77/657567777.db2.gz GMTHNNPMHUZWDM-LBPRGKRZSA-N 2 0 294.399 -0.639 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NC23CC[NH+](CC2)C3)CC1 ZINC000913631451 657571694 /nfs/dbraw/zinc/57/16/94/657571694.db2.gz WIKLBNDQIWKDIB-UHFFFAOYSA-N 2 0 280.416 -0.022 20 0 CBADRP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000913759588 657603187 /nfs/dbraw/zinc/60/31/87/657603187.db2.gz QHPWTGFPTKIBRF-CXTNEJHOSA-N 2 0 281.400 -0.006 20 0 CBADRP C[C@@H](C(=O)NC1(C)CN(C(=O)[C@H](C)[NH+](C)C)C1)[NH+](C)C ZINC000913838746 657624483 /nfs/dbraw/zinc/62/44/83/657624483.db2.gz WXWGUTDMSROSOH-QWRGUYRKSA-N 2 0 284.404 -0.396 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](CCO)C2)C1 ZINC001015997669 657628243 /nfs/dbraw/zinc/62/82/43/657628243.db2.gz FRXVQVASELTKPX-RYUDHWBXSA-N 2 0 255.362 -0.489 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001016263227 657674882 /nfs/dbraw/zinc/67/48/82/657674882.db2.gz WJCRXVVOYLPKGE-LBPRGKRZSA-N 2 0 255.362 -0.345 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001016543375 657717583 /nfs/dbraw/zinc/71/75/83/657717583.db2.gz PDVPHEXHVJIIQT-NEPJUHHUSA-N 2 0 294.399 -0.463 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC23CC[NH+](CCO)CC3)C1 ZINC001016968820 657743909 /nfs/dbraw/zinc/74/39/09/657743909.db2.gz HSISBEPJELFIPK-QWHCGFSZSA-N 2 0 281.400 -0.099 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000916332814 657771007 /nfs/dbraw/zinc/77/10/07/657771007.db2.gz ZKIGGXVOFBWXDG-VXGBXAGGSA-N 2 0 272.393 -0.044 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC1([NH+](C)C)CC1 ZINC000917959634 657822570 /nfs/dbraw/zinc/82/25/70/657822570.db2.gz IIXOWOFQRIQFQC-GFCCVEGCSA-N 2 0 283.420 -0.374 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001018629021 657828657 /nfs/dbraw/zinc/82/86/57/657828657.db2.gz XMOJCXGVLXEDRB-QWHCGFSZSA-N 2 0 294.399 -0.497 20 0 CBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]([NH2+]CCO)C1 ZINC001018853999 657850059 /nfs/dbraw/zinc/85/00/59/657850059.db2.gz BSTBUOYPWPXORM-QWHCGFSZSA-N 2 0 267.373 -0.489 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCO)C2)CC[N@@H+]1C ZINC001018867132 657850960 /nfs/dbraw/zinc/85/09/60/657850960.db2.gz HZWBODGWRQKHDB-GRYCIOLGSA-N 2 0 255.362 -0.491 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001019033219 657859222 /nfs/dbraw/zinc/85/92/22/657859222.db2.gz FANLVGJIIJWUMC-RWMBFGLXSA-N 2 0 296.415 -0.252 20 0 CBADRP NC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001019094567 657863517 /nfs/dbraw/zinc/86/35/17/657863517.db2.gz AYLXIWAGXANVNM-NSHDSACASA-N 2 0 287.323 -0.376 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001019258676 657877068 /nfs/dbraw/zinc/87/70/68/657877068.db2.gz MDACAZGGPPBLMV-WOPDTQHZSA-N 2 0 282.388 -0.465 20 0 CBADRP C[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001019322804 657886222 /nfs/dbraw/zinc/88/62/22/657886222.db2.gz IVDBCJHLCIPQNQ-NSHDSACASA-N 2 0 268.361 -0.996 20 0 CBADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCO)C1)[NH+](C)C ZINC001019337502 657886348 /nfs/dbraw/zinc/88/63/48/657886348.db2.gz MPALVSQHUSUERW-NWDGAFQWSA-N 2 0 257.378 -0.245 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001019394622 657893234 /nfs/dbraw/zinc/89/32/34/657893234.db2.gz LANRRYMPFWGQQT-DCAQKATOSA-N 2 0 270.377 -0.609 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001020029221 657990813 /nfs/dbraw/zinc/99/08/13/657990813.db2.gz YIASNRMYFQTLLX-BJDJZHNGSA-N 2 0 255.362 -0.302 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001020028907 657991395 /nfs/dbraw/zinc/99/13/95/657991395.db2.gz NVQHFIYDRUVWJG-GWOFURMSSA-N 2 0 268.361 -0.809 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000922164564 658014508 /nfs/dbraw/zinc/01/45/08/658014508.db2.gz WDXBNQQWAGSTSC-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)C(N)=O ZINC001020161920 658019708 /nfs/dbraw/zinc/01/97/08/658019708.db2.gz UAZBKTWAYXYJQI-BQUFFADESA-N 2 0 294.399 -0.561 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(N)=O ZINC001020171196 658022499 /nfs/dbraw/zinc/02/24/99/658022499.db2.gz RLFCDRZKYGTHGM-LZQZFOIKSA-N 2 0 282.388 -0.563 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001020214420 658028460 /nfs/dbraw/zinc/02/84/60/658028460.db2.gz SNNYANZNADZLNS-ZDEQEGDKSA-N 2 0 296.415 -0.029 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001020301116 658034779 /nfs/dbraw/zinc/03/47/79/658034779.db2.gz PQZHVYBWOURILT-CYDGBPFRSA-N 2 0 294.399 -0.404 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001020301119 658036030 /nfs/dbraw/zinc/03/60/30/658036030.db2.gz PQZHVYBWOURILT-ZDEQEGDKSA-N 2 0 294.399 -0.404 20 0 CBADRP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020519386 658062903 /nfs/dbraw/zinc/06/29/03/658062903.db2.gz GBHXMWJVDROJRW-XYPYZODXSA-N 2 0 294.355 -0.323 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020586420 658075529 /nfs/dbraw/zinc/07/55/29/658075529.db2.gz NYHUSIFMLVDZPA-GMTAPVOTSA-N 2 0 268.361 -0.807 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020590304 658075969 /nfs/dbraw/zinc/07/59/69/658075969.db2.gz RRFGRQKQTAFYMZ-BJDJZHNGSA-N 2 0 255.362 -0.587 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1)C(N)=O ZINC001020590099 658076135 /nfs/dbraw/zinc/07/61/35/658076135.db2.gz MBXMKESTYLXVPD-CYDGBPFRSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001020589141 658076519 /nfs/dbraw/zinc/07/65/19/658076519.db2.gz XTMUOYFIAFKVPT-ZDEQEGDKSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1)C(N)=O ZINC001020589073 658077040 /nfs/dbraw/zinc/07/70/40/658077040.db2.gz WFBQWJIXQBHJQS-USZNOCQGSA-N 2 0 282.388 -0.561 20 0 CBADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)CC1 ZINC001020818526 658096306 /nfs/dbraw/zinc/09/63/06/658096306.db2.gz QXRHUJAJRYZBTK-JOCQHMNTSA-N 2 0 269.389 -0.053 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001020927674 658113368 /nfs/dbraw/zinc/11/33/68/658113368.db2.gz OBJMAIPRRJPRPR-FDYHWXHSSA-N 2 0 294.399 -0.547 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020928006 658119039 /nfs/dbraw/zinc/11/90/39/658119039.db2.gz SJEFUSMKUTZAHW-ZDEQEGDKSA-N 2 0 296.415 -0.171 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001020928338 658119828 /nfs/dbraw/zinc/11/98/28/658119828.db2.gz CMZLSADQFOBLER-FDYHWXHSSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001021043564 658135447 /nfs/dbraw/zinc/13/54/47/658135447.db2.gz CGLUCNZFXSIBJV-GWOFURMSSA-N 2 0 268.361 -0.951 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001021044768 658137742 /nfs/dbraw/zinc/13/77/42/658137742.db2.gz SZASUUBNTYJYKE-FIQHERPVSA-N 2 0 282.388 -0.561 20 0 CBADRP Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)nn1 ZINC001021051991 658142443 /nfs/dbraw/zinc/14/24/43/658142443.db2.gz VFYAIRYTVUWHPW-HAQNSBGRSA-N 2 0 292.387 -0.352 20 0 CBADRP Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)[nH]1 ZINC001021050224 658142853 /nfs/dbraw/zinc/14/28/53/658142853.db2.gz BRCHKLUUABWCIS-HAQNSBGRSA-N 2 0 292.387 -0.054 20 0 CBADRP [NH3+]C[C@@H]1CC[N@H+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000923282498 658189056 /nfs/dbraw/zinc/18/90/56/658189056.db2.gz UXVFFVFHWVKPDB-RWMBFGLXSA-N 2 0 258.362 -0.177 20 0 CBADRP CCOCCOCC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000923281764 658190267 /nfs/dbraw/zinc/19/02/67/658190267.db2.gz PGDNMWMJUMDCPZ-ZDUSSCGKSA-N 2 0 287.404 -0.174 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923280638 658191459 /nfs/dbraw/zinc/19/14/59/658191459.db2.gz IJMKSVDOMCJDSF-LBPRGKRZSA-N 3 0 268.405 -0.085 20 0 CBADRP CCOC[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283949 658192028 /nfs/dbraw/zinc/19/20/28/658192028.db2.gz ZPNXPXOORKFDMM-KBPBESRZSA-N 2 0 299.415 -0.472 20 0 CBADRP CC(C)OCC[C@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000923286237 658195461 /nfs/dbraw/zinc/19/54/61/658195461.db2.gz LPCMYGQVYHLOGS-AWEZNQCLSA-N 2 0 273.421 -0.001 20 0 CBADRP C[NH2+]CC1CC[NH+](CCN2C(=O)CN(C)C2=O)CC1 ZINC000923291308 658195513 /nfs/dbraw/zinc/19/55/13/658195513.db2.gz PXWZLZRRUSPGMK-UHFFFAOYSA-N 2 0 268.361 -0.188 20 0 CBADRP CC(=O)N[C@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923302770 658197923 /nfs/dbraw/zinc/19/79/23/658197923.db2.gz CPBMKXBIKWDZKV-QWHCGFSZSA-N 2 0 267.373 -0.035 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN[C@](C)(C[NH3+])C(C)C ZINC000923298851 658198282 /nfs/dbraw/zinc/19/82/82/658198282.db2.gz GGJWKRYPOPFYHJ-QWHCGFSZSA-N 2 0 261.410 -0.112 20 0 CBADRP CNC(=O)[C@H]1CCCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303454 658199763 /nfs/dbraw/zinc/19/97/63/658199763.db2.gz NFOOXKWWDGYYJK-NWDGAFQWSA-N 2 0 267.373 -0.035 20 0 CBADRP CCC[N@@H+](CC(=O)NC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923310127 658203277 /nfs/dbraw/zinc/20/32/77/658203277.db2.gz RVVMIHCCHQPWIX-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP CC(C)OCCOC[C@@H](O)C[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923308482 658203457 /nfs/dbraw/zinc/20/34/57/658203457.db2.gz JUTSGFQJACVGDU-XUXIUFHCSA-N 2 0 290.404 -0.429 20 0 CBADRP COC[C@@](C)(CCO)[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923318751 658210095 /nfs/dbraw/zinc/21/00/95/658210095.db2.gz ONDBJLAUPXGLHK-VXGBXAGGSA-N 2 0 258.362 -0.258 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1C ZINC000923322374 658212105 /nfs/dbraw/zinc/21/21/05/658212105.db2.gz KRGJGRANZFEFDV-IHRRRGAJSA-N 2 0 283.416 -0.248 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C[C@H](O)C[N@H+](C)CCOC ZINC000923330409 658214264 /nfs/dbraw/zinc/21/42/64/658214264.db2.gz DWBVVLJGTHLBMR-UONOGXRCSA-N 2 0 273.421 -0.001 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000923328748 658216565 /nfs/dbraw/zinc/21/65/65/658216565.db2.gz CETSYZCBGMKNCA-ZIAGYGMSSA-N 2 0 271.405 -0.248 20 0 CBADRP CN1CC(=O)N(CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1=O ZINC000923331387 658218146 /nfs/dbraw/zinc/21/81/46/658218146.db2.gz GIAFYNZVGNJQEQ-SDDRHHMPSA-N 2 0 280.372 -0.060 20 0 CBADRP CCOC[C@H](O)C[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000923331723 658218575 /nfs/dbraw/zinc/21/85/75/658218575.db2.gz FQJDQMNVWSMCKM-QWHCGFSZSA-N 2 0 285.388 -0.720 20 0 CBADRP CN1CC(=O)N(CC[N@H+](C)[C@@H]2CCC[NH2+]CC2)C1=O ZINC000923335913 658219949 /nfs/dbraw/zinc/21/99/49/658219949.db2.gz SBMHTTXQWGLBLV-LLVKDONJSA-N 2 0 268.361 -0.046 20 0 CBADRP C[C@@H](NC(C[NH3+])C[NH3+])C(=O)N1CCc2ccccc21 ZINC000923353647 658227152 /nfs/dbraw/zinc/22/71/52/658227152.db2.gz ZIJGRCGLWQXCGC-SNVBAGLBSA-N 2 0 262.357 -0.160 20 0 CBADRP COC(=O)[C@@H](NC(C[NH3+])C[NH3+])c1ccccc1F ZINC000923359874 658227516 /nfs/dbraw/zinc/22/75/16/658227516.db2.gz VFRUCDBDFYAFJA-NSHDSACASA-N 2 0 255.293 -0.085 20 0 CBADRP O[C@@H](Cn1cccn1)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000923359007 658227621 /nfs/dbraw/zinc/22/76/21/658227621.db2.gz NVMRXHCORWOFSW-YNEHKIRRSA-N 2 0 250.346 -0.072 20 0 CBADRP C[N@H+](C[C@@H](O)COC1CCOCC1)C1CC([NH3+])C1 ZINC000923360524 658227893 /nfs/dbraw/zinc/22/78/93/658227893.db2.gz CETHJSDXNWQWNM-HTAVTVPLSA-N 2 0 258.362 -0.036 20 0 CBADRP Cc1ccc(C)c(OC[C@H](O)CNC(C[NH3+])C[NH3+])c1 ZINC000923355924 658227946 /nfs/dbraw/zinc/22/79/46/658227946.db2.gz GEJRPXIQGDZAEM-CYBMUJFWSA-N 2 0 267.373 -0.081 20 0 CBADRP Cc1ccc(C)c(OC[C@@H](O)CNC(C[NH3+])C[NH3+])c1 ZINC000923355925 658229067 /nfs/dbraw/zinc/22/90/67/658229067.db2.gz GEJRPXIQGDZAEM-ZDUSSCGKSA-N 2 0 267.373 -0.081 20 0 CBADRP CN(C)C(=O)[C@@H]1CN(CCC[NH2+]C2CC2)CC[NH2+]1 ZINC000923369938 658240218 /nfs/dbraw/zinc/24/02/18/658240218.db2.gz AEYPRYZFFLABDP-LBPRGKRZSA-N 2 0 254.378 -0.510 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN[C@H]1CC[NH2+]C12CCC2 ZINC000923399386 658252998 /nfs/dbraw/zinc/25/29/98/658252998.db2.gz PCFXOSJJSJSYRX-OLZOCXBDSA-N 2 0 271.405 -0.200 20 0 CBADRP O=C1OCCN1[C@@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923392404 658255145 /nfs/dbraw/zinc/25/51/45/658255145.db2.gz RIPIOIYHROMDIA-VXGBXAGGSA-N 2 0 281.356 -0.109 20 0 CBADRP CNC(=O)[C@]1(COC)CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923395323 658255278 /nfs/dbraw/zinc/25/52/78/658255278.db2.gz RNGXKDLMYVWBRC-SWLSCSKDSA-N 2 0 297.399 -0.408 20 0 CBADRP C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000923401298 658257569 /nfs/dbraw/zinc/25/75/69/658257569.db2.gz URPFATJIIXQTRJ-AXFHLTTASA-N 2 0 253.346 -0.439 20 0 CBADRP CO[C@@H]1CN(C[C@H]2CC3(C[NH2+]C3)CO2)[C@@](C)(C[NH3+])C1 ZINC000923410702 658267344 /nfs/dbraw/zinc/26/73/44/658267344.db2.gz IHQGWXOUWXFVAB-YNEHKIRRSA-N 2 0 269.389 -0.197 20 0 CBADRP CN1CC(=O)N(CC[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)C1=O ZINC000923423051 658273205 /nfs/dbraw/zinc/27/32/05/658273205.db2.gz UVICJEKGIFXQBQ-RKDXNWHRSA-N 2 0 254.334 -0.404 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H](O)Cn1cccn1)C2 ZINC000923428755 658273290 /nfs/dbraw/zinc/27/32/90/658273290.db2.gz ZFVSNYAIVYGZPA-RWMBFGLXSA-N 2 0 250.346 -0.215 20 0 CBADRP CCOC[C@H](O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000923427180 658273607 /nfs/dbraw/zinc/27/36/07/658273607.db2.gz ACEQWVGTDSAHJJ-SFTQSGBHSA-N 2 0 286.372 -0.404 20 0 CBADRP C[C@@H]1C[N@H+](CCN2C(=O)CN(C)C2=O)C[C@H]1CC[NH3+] ZINC000923428163 658274768 /nfs/dbraw/zinc/27/47/68/658274768.db2.gz GJMWHVHLBMCBCN-GHMZBOCLSA-N 2 0 268.361 -0.203 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CCC(=O)N1CC[NH2+]CC1 ZINC000923436952 658278768 /nfs/dbraw/zinc/27/87/68/658278768.db2.gz QWFFSYWYFWKUCC-RWMBFGLXSA-N 2 0 268.405 -0.121 20 0 CBADRP CON1CC[C@@H]([NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1=O ZINC000923445567 658284064 /nfs/dbraw/zinc/28/40/64/658284064.db2.gz XVCNVMBEEQRBEG-VXGBXAGGSA-N 2 0 283.372 -0.022 20 0 CBADRP CCCCOC[C@@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923461580 658289315 /nfs/dbraw/zinc/28/93/15/658289315.db2.gz ZWTZUKJGSINRMN-ZDUSSCGKSA-N 2 0 259.394 -0.341 20 0 CBADRP O[C@H](COc1ccccc1)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923462552 658291014 /nfs/dbraw/zinc/29/10/14/658291014.db2.gz KQRJDTKPUCDHTB-AWEZNQCLSA-N 2 0 279.384 -0.079 20 0 CBADRP COC(=O)CCN1CC[C@@H]([N@@H+]2CC[C@@H](CC[NH3+])C2)C1=O ZINC000923482291 658303381 /nfs/dbraw/zinc/30/33/81/658303381.db2.gz YGNCOEYFXMMMDC-VXGBXAGGSA-N 2 0 283.372 -0.179 20 0 CBADRP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498684 658306272 /nfs/dbraw/zinc/30/62/72/658306272.db2.gz JBJUPRDMGFCQOL-OLZOCXBDSA-N 2 0 298.431 -0.112 20 0 CBADRP COC(=O)CCNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500595 658309556 /nfs/dbraw/zinc/30/95/56/658309556.db2.gz WCWBBHPVMHKWMS-MNOVXSKESA-N 2 0 271.361 -0.418 20 0 CBADRP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923503462 658309600 /nfs/dbraw/zinc/30/96/00/658309600.db2.gz IUWCJDSCKHZBIO-JSGCOSHPSA-N 2 0 296.415 -0.406 20 0 CBADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515961 658313130 /nfs/dbraw/zinc/31/31/30/658313130.db2.gz PATJJKKVENYBTK-YNEHKIRRSA-N 2 0 258.362 -0.448 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923568031 658332839 /nfs/dbraw/zinc/33/28/39/658332839.db2.gz DTTPQBBCDRATAB-JTQLQIEISA-N 2 0 264.395 -0.901 20 0 CBADRP CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923568819 658332865 /nfs/dbraw/zinc/33/28/65/658332865.db2.gz IIWCFYLSKPVWET-NSHDSACASA-N 2 0 276.406 -0.790 20 0 CBADRP O=S(=O)(NCC[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000923567545 658332962 /nfs/dbraw/zinc/33/29/62/658332962.db2.gz BHWBHKWHSAUBSX-WDEREUQCSA-N 2 0 261.391 -0.343 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000923575516 658337439 /nfs/dbraw/zinc/33/74/39/658337439.db2.gz DNIXNFCBPXAJBG-CMPLNLGQSA-N 2 0 273.402 -0.248 20 0 CBADRP O=S(=O)([C@H]1CCC[NH2+]C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000923578386 658338177 /nfs/dbraw/zinc/33/81/77/658338177.db2.gz ZKZAPKARHNOTNQ-RYUDHWBXSA-N 2 0 273.402 -0.106 20 0 CBADRP C[C@@H](CNS(=O)(=O)C1C[NH2+]C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000923589852 658341503 /nfs/dbraw/zinc/34/15/03/658341503.db2.gz MTCXKONPWYDWTQ-MNOVXSKESA-N 2 0 275.418 -0.002 20 0 CBADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000923612122 658351251 /nfs/dbraw/zinc/35/12/51/658351251.db2.gz MQTPHOCWXJTGEN-VXGBXAGGSA-N 2 0 291.417 -0.669 20 0 CBADRP C[C@@H]1C[C@@H](NS(=O)(=O)N2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000923627249 658361211 /nfs/dbraw/zinc/36/12/11/658361211.db2.gz YXXIMZKEETZNAW-GHMZBOCLSA-N 2 0 288.417 -0.649 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923627669 658361794 /nfs/dbraw/zinc/36/17/94/658361794.db2.gz LCWUNNFKAGDHHZ-ZYHUDNBSSA-N 2 0 288.417 -0.791 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923630366 658362417 /nfs/dbraw/zinc/36/24/17/658362417.db2.gz XCWIYMLFLSZXKK-ZYHUDNBSSA-N 2 0 273.402 -0.296 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923628067 658363341 /nfs/dbraw/zinc/36/33/41/658363341.db2.gz NYDRPENCFHHHMV-KWQFWETISA-N 2 0 259.375 -0.640 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923628066 658365192 /nfs/dbraw/zinc/36/51/92/658365192.db2.gz NYDRPENCFHHHMV-KCJUWKMLSA-N 2 0 259.375 -0.640 20 0 CBADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000923635329 658367569 /nfs/dbraw/zinc/36/75/69/658367569.db2.gz FWNKHIVBUFZGJS-OUAUKWLOSA-N 2 0 259.375 -0.781 20 0 CBADRP C[C@@H]1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000923648871 658374910 /nfs/dbraw/zinc/37/49/10/658374910.db2.gz WGXUVLZXLLIHKR-WOPDTQHZSA-N 2 0 275.418 -0.015 20 0 CBADRP C[C@@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)[C@@H]1CC[NH3+] ZINC000923651089 658375157 /nfs/dbraw/zinc/37/51/57/658375157.db2.gz CWPOWZOAQFKXBN-VXGBXAGGSA-N 2 0 290.433 -0.414 20 0 CBADRP C[C@@H]1CC2(CN1S(=O)(=O)C1C[NH2+]C1)CC[NH2+]CC2 ZINC000923650199 658376006 /nfs/dbraw/zinc/37/60/06/658376006.db2.gz JOXIJDUGKFBCLJ-SNVBAGLBSA-N 2 0 273.402 -0.248 20 0 CBADRP [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)[C@H]1CCC[NH2+]C1)C2 ZINC000923659035 658383133 /nfs/dbraw/zinc/38/31/33/658383133.db2.gz KDYQVIMNAUKKLL-SRVKXCTJSA-N 2 0 273.402 -0.119 20 0 CBADRP CCN([C@H]1CCC[NH2+]CC1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923657252 658384078 /nfs/dbraw/zinc/38/40/78/658384078.db2.gz YIRGHWNMORGWQE-LBPRGKRZSA-N 2 0 290.433 -0.400 20 0 CBADRP O=S(=O)([C@H]1CCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923666586 658389274 /nfs/dbraw/zinc/38/92/74/658389274.db2.gz OEHAYDJIDQBUOY-AXFHLTTASA-N 2 0 259.375 -0.496 20 0 CBADRP O=S(=O)(N[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC000923670184 658391412 /nfs/dbraw/zinc/39/14/12/658391412.db2.gz CAWQZMUKWXKQCZ-TUAOUCFPSA-N 2 0 273.402 -0.058 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNS(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923740964 658432706 /nfs/dbraw/zinc/43/27/06/658432706.db2.gz SFMRYOCVJMAXKK-AXFHLTTASA-N 2 0 261.391 -0.215 20 0 CBADRP C[C@H](CN1C(=O)N[C@H](C[NH+](C)C)C1=O)[N@H+](C)C1CC1 ZINC000924582188 658613408 /nfs/dbraw/zinc/61/34/08/658613408.db2.gz JBUVLFYQRNHPEN-MWLCHTKSSA-N 2 0 268.361 -0.049 20 0 CBADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCNS(C)(=O)=O ZINC000924597986 658620727 /nfs/dbraw/zinc/62/07/27/658620727.db2.gz AYTVEGCQZJUMED-FOSCPWQOSA-N 2 0 275.418 -0.145 20 0 CBADRP C[C@@H]1C[C@@H](N2C(=O)N[C@H](C[NH+](C)C)C2=O)CC[N@@H+]1C ZINC000924628511 658625937 /nfs/dbraw/zinc/62/59/37/658625937.db2.gz JPCFTXMBLWUVCS-OUAUKWLOSA-N 2 0 268.361 -0.049 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2C)CCC1 ZINC000924979017 658686394 /nfs/dbraw/zinc/68/63/94/658686394.db2.gz CXRUXWZYADYUFH-QWRGUYRKSA-N 2 0 255.362 -0.348 20 0 CBADRP C[NH+](C)C[C@H]1NC(=O)N(CC[NH+]2CCSCC2)C1=O ZINC000925285379 658815290 /nfs/dbraw/zinc/81/52/90/658815290.db2.gz IZLQYDIMFDCRMJ-SNVBAGLBSA-N 2 0 286.401 -0.483 20 0 CBADRP COCC[N@H+](C)CCCN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000925286127 658816601 /nfs/dbraw/zinc/81/66/01/658816601.db2.gz HCOPQMBYQMSODJ-LLVKDONJSA-N 2 0 286.376 -0.563 20 0 CBADRP C[NH+](C)C[C@@H]1NC(=O)N([C@H]2CCC[N@H+](C)C2)C1=O ZINC000925298808 658818521 /nfs/dbraw/zinc/81/85/21/658818521.db2.gz PWJFDYMOUDLOOE-UWVGGRQHSA-N 2 0 254.334 -0.437 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000925331421 658828079 /nfs/dbraw/zinc/82/80/79/658828079.db2.gz JNYFYEIYXHHBIL-NEPJUHHUSA-N 2 0 272.393 -0.308 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@@H+]1C ZINC000925346776 658832034 /nfs/dbraw/zinc/83/20/34/658832034.db2.gz VTQBGVDFIAZQQN-WOPDTQHZSA-N 2 0 270.377 -0.555 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925409490 658839131 /nfs/dbraw/zinc/83/91/31/658839131.db2.gz VYADXFBSAKEWPV-LBPRGKRZSA-N 2 0 272.393 -0.090 20 0 CBADRP C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925424824 658847509 /nfs/dbraw/zinc/84/75/09/658847509.db2.gz OFCVDIHUBHRFTC-FRRDWIJNSA-N 2 0 284.404 -0.213 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000962296907 658850552 /nfs/dbraw/zinc/85/05/52/658850552.db2.gz JSLLLUBWQGKMIT-ITGUQSILSA-N 2 0 279.384 -0.489 20 0 CBADRP COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CC[NH+]2C)CC[N@H+](C)C1 ZINC000925432458 658851916 /nfs/dbraw/zinc/85/19/16/658851916.db2.gz SPLAIBYBIIFOQA-NWDGAFQWSA-N 2 0 298.387 -0.563 20 0 CBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925433821 658854250 /nfs/dbraw/zinc/85/42/50/658854250.db2.gz XMOZAUYMGNZQSK-NWDGAFQWSA-N 2 0 297.403 -0.548 20 0 CBADRP CS(=O)(=O)CCOCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925577022 658859336 /nfs/dbraw/zinc/85/93/36/658859336.db2.gz ZSBBRRNVOILVHA-MNOVXSKESA-N 2 0 276.402 -0.093 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)N[C@H]1C[NH2+]CCOC1 ZINC000925550282 658859500 /nfs/dbraw/zinc/85/95/00/658859500.db2.gz QIBNXNOJTDZDJJ-OLZOCXBDSA-N 2 0 256.394 -0.800 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)N[C@@H]1C[NH2+]CCOC1 ZINC000925550283 658859873 /nfs/dbraw/zinc/85/98/73/658859873.db2.gz QIBNXNOJTDZDJJ-QWHCGFSZSA-N 2 0 256.394 -0.800 20 0 CBADRP C[NH+]1CCN(C(C)(C)CN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925606597 658861923 /nfs/dbraw/zinc/86/19/23/658861923.db2.gz ONQOVKMVNTUIAW-CYBMUJFWSA-N 2 0 270.421 -0.410 20 0 CBADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CNCCOC1 ZINC000925609850 658862499 /nfs/dbraw/zinc/86/24/99/658862499.db2.gz WMRBJNVJLOLOQY-ZIAGYGMSSA-N 2 0 271.405 -0.199 20 0 CBADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000925621263 658863767 /nfs/dbraw/zinc/86/37/67/658863767.db2.gz GPCKEOAIHUZRDI-GHMZBOCLSA-N 2 0 275.418 -0.002 20 0 CBADRP CC[NH+](CC)CCOCCN[C@@H]1C[NH2+]CCOC1 ZINC000925647664 658863930 /nfs/dbraw/zinc/86/39/30/658863930.db2.gz DYQCWCWESQZWOJ-CYBMUJFWSA-N 2 0 259.394 -0.077 20 0 CBADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)Cn1ccnn1 ZINC000925685843 658865571 /nfs/dbraw/zinc/86/55/71/658865571.db2.gz NWBIIAHXHQXPDW-SZQBSXBZSA-N 2 0 265.361 -0.256 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)n1 ZINC000925717295 658867124 /nfs/dbraw/zinc/86/71/24/658867124.db2.gz SFGGEKNUFOIAOO-PXBLZKCCSA-N 2 0 275.356 -0.273 20 0 CBADRP CNS(=O)(=O)CCC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925725402 658868198 /nfs/dbraw/zinc/86/81/98/658868198.db2.gz KJKQYNSCKVPQRX-NWRZOEAASA-N 2 0 291.417 -0.732 20 0 CBADRP C[C@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)[C@H]1CC[NH2+]C1 ZINC000925776613 658871080 /nfs/dbraw/zinc/87/10/80/658871080.db2.gz YSJVKHCIDINVFL-QWRGUYRKSA-N 2 0 275.418 -0.002 20 0 CBADRP CCS(=O)(=O)C[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925814740 658872835 /nfs/dbraw/zinc/87/28/35/658872835.db2.gz LRUAMROBRZTNQN-NSHDSACASA-N 2 0 277.434 -0.178 20 0 CBADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817430 658872976 /nfs/dbraw/zinc/87/29/76/658872976.db2.gz SDMGHVZGCUCRSX-OLZOCXBDSA-N 2 0 284.404 -0.707 20 0 CBADRP [NH3+]C1CCN(CC[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)CC1 ZINC000925817658 658873108 /nfs/dbraw/zinc/87/31/08/658873108.db2.gz UXJMLSCAFKQTMR-CABCVRRESA-N 2 0 282.432 -0.234 20 0 CBADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880907 658875486 /nfs/dbraw/zinc/87/54/86/658875486.db2.gz WTYYGAVAKVHZKZ-KXNHARMFSA-N 2 0 255.362 -0.003 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000926295993 658890974 /nfs/dbraw/zinc/89/09/74/658890974.db2.gz SPMFFYYFCOQTQE-ZDUSSCGKSA-N 2 0 296.415 -0.262 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH3+] ZINC000926331638 658893220 /nfs/dbraw/zinc/89/32/20/658893220.db2.gz HKOAHRTZHFPTLM-IJLUTSLNSA-N 2 0 282.388 -0.798 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926354385 658895380 /nfs/dbraw/zinc/89/53/80/658895380.db2.gz QCLNYQUYILYJCR-CYBMUJFWSA-N 2 0 298.431 -0.016 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)C[C@H]1[NH3+] ZINC000926347957 658895449 /nfs/dbraw/zinc/89/54/49/658895449.db2.gz PSNCRSNCFRDBQO-FVCCEPFGSA-N 2 0 296.415 -0.267 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)C[C@H]1[NH3+] ZINC000926344579 658895795 /nfs/dbraw/zinc/89/57/95/658895795.db2.gz KYWYUHYIOTYPAS-YVECIDJPSA-N 2 0 296.415 -0.409 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926384048 658897544 /nfs/dbraw/zinc/89/75/44/658897544.db2.gz YRSWSCMHEBCLIU-QWHCGFSZSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C[C@H]1[NH3+] ZINC000926396860 658899371 /nfs/dbraw/zinc/89/93/71/658899371.db2.gz MRJISWLZUSOCMM-LPWJVIDDSA-N 2 0 294.399 -0.655 20 0 CBADRP C[C@H]1CC[N@H+](CCO)C[C@@H]1NC(=O)CN1CCCC1 ZINC000968652141 658937520 /nfs/dbraw/zinc/93/75/20/658937520.db2.gz PIBBTNZJPHCRGG-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC000968903941 658944127 /nfs/dbraw/zinc/94/41/27/658944127.db2.gz BTHRSYOHZHITQW-GHMZBOCLSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)C(N)=O ZINC000969197617 658958479 /nfs/dbraw/zinc/95/84/79/658958479.db2.gz LXVNPAAYCFEPLO-VXGBXAGGSA-N 2 0 294.399 -0.321 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000969215645 658960673 /nfs/dbraw/zinc/96/06/73/658960673.db2.gz AYLXIWAGXANVNM-LLVKDONJSA-N 2 0 287.323 -0.376 20 0 CBADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](CCO)C1 ZINC000969411516 658985611 /nfs/dbraw/zinc/98/56/11/658985611.db2.gz MBDKOTYXQPZBIH-ZYHUDNBSSA-N 2 0 255.362 -0.491 20 0 CBADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](CCCO)C1 ZINC000969409347 658986232 /nfs/dbraw/zinc/98/62/32/658986232.db2.gz ASQIAABGUFLRDV-WCQYABFASA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1C[NH+](CCO)C1 ZINC000969677188 659010768 /nfs/dbraw/zinc/01/07/68/659010768.db2.gz NNPAQACIRJYPNJ-FZMZJTMJSA-N 2 0 281.400 -0.243 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(CC(N)=O)C1 ZINC000969702627 659011041 /nfs/dbraw/zinc/01/10/41/659011041.db2.gz APAOOVPHAPFVPN-CKYFFXLPSA-N 2 0 282.388 -0.752 20 0 CBADRP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1C[NH+](CCO)C1 ZINC000969968407 659027480 /nfs/dbraw/zinc/02/74/80/659027480.db2.gz ITQPJKBACNFLPY-WCQYABFASA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H](O)C[NH+]1CC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000970744499 659070057 /nfs/dbraw/zinc/07/00/57/659070057.db2.gz GDDVCQQBBQAHFJ-RYUDHWBXSA-N 2 0 281.400 -0.101 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)C(N)=O ZINC000970792743 659071325 /nfs/dbraw/zinc/07/13/25/659071325.db2.gz UGBDIRPFFNTMAH-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCCO)C1 ZINC000970879108 659073713 /nfs/dbraw/zinc/07/37/13/659073713.db2.gz RQQVOBRXLXOSHF-NWDGAFQWSA-N 2 0 269.389 -0.243 20 0 CBADRP C[N@H+](CCO)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971540078 659093891 /nfs/dbraw/zinc/09/38/91/659093891.db2.gz CEBNOKZVSVJSHI-KBPBESRZSA-N 2 0 281.400 -0.147 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000971686657 659096009 /nfs/dbraw/zinc/09/60/09/659096009.db2.gz DFZTVTWQBNBXNQ-DGCLKSJQSA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH+](C)CCO)C1 ZINC000972333878 659116432 /nfs/dbraw/zinc/11/64/32/659116432.db2.gz YGMNYGBAJOSLDS-STQMWFEESA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@@H](O)[C@@H](O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000929951114 659186747 /nfs/dbraw/zinc/18/67/47/659186747.db2.gz ATONHIXIVMMNGB-YPMHNXCESA-N 2 0 287.404 -0.882 20 0 CBADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H](O)CO)CC2)CC1 ZINC000930130479 659214885 /nfs/dbraw/zinc/21/48/85/659214885.db2.gz MVTIDXGNWGPTTO-OAHLLOKOSA-N 2 0 285.432 -0.170 20 0 CBADRP C[C@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978961583 659234236 /nfs/dbraw/zinc/23/42/36/659234236.db2.gz OCZMZEUIGQQOTC-XDQVBPFNSA-N 2 0 293.411 -0.243 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980405185 659271902 /nfs/dbraw/zinc/27/19/02/659271902.db2.gz GYNSZPIBYGGMGJ-NWDGAFQWSA-N 2 0 282.388 -0.511 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981462424 659319905 /nfs/dbraw/zinc/31/99/05/659319905.db2.gz WLMUMCKITFAAIQ-NEPJUHHUSA-N 2 0 294.399 -0.416 20 0 CBADRP CN(C)C(=O)[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000930715197 659327521 /nfs/dbraw/zinc/32/75/21/659327521.db2.gz GCQUHQZTPIWLHV-QWHCGFSZSA-N 2 0 269.389 -0.147 20 0 CBADRP CN(C)C(=O)[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000930715199 659327582 /nfs/dbraw/zinc/32/75/82/659327582.db2.gz GCQUHQZTPIWLHV-STQMWFEESA-N 2 0 269.389 -0.147 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCNC3=O)C2)C1 ZINC000985120641 659374023 /nfs/dbraw/zinc/37/40/23/659374023.db2.gz WOBYIJTWFKLVPW-CYDGBPFRSA-N 2 0 294.399 -0.689 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH+](C)CC(N)=O)CC1 ZINC000985653895 659395181 /nfs/dbraw/zinc/39/51/81/659395181.db2.gz NADWUZHAGLLCEH-AAEUAGOBSA-N 2 0 296.415 -0.408 20 0 CBADRP C[N@H+](CC(N)=O)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000985792600 659399081 /nfs/dbraw/zinc/39/90/81/659399081.db2.gz NOHVNQKJIIAVEB-UHFFFAOYSA-N 2 0 282.388 -0.510 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CC1CC[NH+](C)CC1 ZINC000989520559 659591910 /nfs/dbraw/zinc/59/19/10/659591910.db2.gz VDVQNJUOYXNOIH-WCQYABFASA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CC1CC[NH+](C)CC1 ZINC000989520560 659592468 /nfs/dbraw/zinc/59/24/68/659592468.db2.gz VDVQNJUOYXNOIH-YPMHNXCESA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CCO)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989681575 659608366 /nfs/dbraw/zinc/60/83/66/659608366.db2.gz DLFQWWFNYZGBDZ-NEPJUHHUSA-N 2 0 267.373 -0.347 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CCO)CN1C(=O)C[NH+]1CCCC1 ZINC000989796665 659615288 /nfs/dbraw/zinc/61/52/88/659615288.db2.gz PCXKAQPIYKPMID-VXGBXAGGSA-N 2 0 255.362 -0.347 20 0 CBADRP C[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000990508403 659752516 /nfs/dbraw/zinc/75/25/16/659752516.db2.gz MCOJCINPWYMNAE-STQMWFEESA-N 2 0 294.399 -0.498 20 0 CBADRP C[N@H+](C[C@H](O)CN1CC[C@H]2[C@H]1CCC[NH+]2CCO)C1CC1 ZINC000934270748 659799605 /nfs/dbraw/zinc/79/96/05/659799605.db2.gz YCEAUCWLESNTIC-XHSDSOJGSA-N 2 0 297.443 -0.028 20 0 CBADRP C[NH+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000991725358 659843252 /nfs/dbraw/zinc/84/32/52/659843252.db2.gz ZHNSLHGAOXATBL-VXGBXAGGSA-N 2 0 294.399 -0.783 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)C[NH+](C)C ZINC000935980292 659849145 /nfs/dbraw/zinc/84/91/45/659849145.db2.gz HHSVJOFOHAQMCO-RYUDHWBXSA-N 2 0 257.378 -0.102 20 0 CBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CC(N)=O ZINC000939136681 659883880 /nfs/dbraw/zinc/88/38/80/659883880.db2.gz BIXCBZYXSJPTDY-VXGBXAGGSA-N 2 0 296.415 -0.360 20 0 CBADRP C[N@@H+]1CCO[C@@H]2CN(c3ncc4c(n3)C[NH2+]C4)C[C@@H]21 ZINC001164669300 719392526 /nfs/dbraw/zinc/39/25/26/719392526.db2.gz UQWDXODHOLNGHW-NWDGAFQWSA-N 2 0 261.329 -0.401 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC001076569055 805581618 /nfs/dbraw/zinc/58/16/18/805581618.db2.gz ICJOFLJVXXKJLU-BFHYXJOUSA-N 2 0 281.400 -0.147 20 0 CBADRP CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000043801301 790324933 /nfs/dbraw/zinc/32/49/33/790324933.db2.gz GVLQZJQATICFME-NSHDSACASA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000044413010 790326045 /nfs/dbraw/zinc/32/60/45/790326045.db2.gz NRWSYUATUOTAFC-GHMZBOCLSA-N 2 0 268.361 -0.996 20 0 CBADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000069135414 790351122 /nfs/dbraw/zinc/35/11/22/790351122.db2.gz XGMJEWFCLFGXLE-CYBMUJFWSA-N 2 0 289.445 -0.209 20 0 CBADRP C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000076399882 790357870 /nfs/dbraw/zinc/35/78/70/790357870.db2.gz QAQNMALPWCISNT-AWEZNQCLSA-N 2 0 268.405 -0.702 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)CCC[NH3+])CC1 ZINC000082257103 790363045 /nfs/dbraw/zinc/36/30/45/790363045.db2.gz REKDNHOJECVVNW-UHFFFAOYSA-N 2 0 256.394 -0.131 20 0 CBADRP O=C(NC[C@@H]1CCC[N@@H+](CCO)C1)[C@@H]1CCC[NH2+]1 ZINC000135409871 790393056 /nfs/dbraw/zinc/39/30/56/790393056.db2.gz MJUPGOUCSKPQAS-RYUDHWBXSA-N 2 0 255.362 -0.441 20 0 CBADRP COC[C@@H](C)OC[C@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000234843353 790443559 /nfs/dbraw/zinc/44/35/59/790443559.db2.gz WGEDLTNXDPNGPQ-FVCCEPFGSA-N 2 0 258.362 -0.450 20 0 CBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000300259392 790468583 /nfs/dbraw/zinc/46/85/83/790468583.db2.gz JWDYJDHLHQMLLI-JHJVBQTASA-N 2 0 260.378 -0.073 20 0 CBADRP c1ncn(CC[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000310899688 790476888 /nfs/dbraw/zinc/47/68/88/790476888.db2.gz MOBSCHSQZVDUGH-GFCCVEGCSA-N 2 0 250.350 -0.742 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH2+][C@@H](C)[C@@H]1C ZINC000379434430 790511352 /nfs/dbraw/zinc/51/13/52/790511352.db2.gz LDLSPWXRHMKVHO-AVGNSLFASA-N 2 0 259.394 -0.392 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000382268166 790525168 /nfs/dbraw/zinc/52/51/68/790525168.db2.gz DFBAZZONCNFALP-MELADBBJSA-N 2 0 271.405 -0.391 20 0 CBADRP C[NH+](C)[C@@H]1[C@H]2CN(C[C@@H](O)C[NH+]3CCCC3)C[C@H]21 ZINC000384660108 790534852 /nfs/dbraw/zinc/53/48/52/790534852.db2.gz AIXQYXDCCPJKJA-IGQOVBAYSA-N 2 0 253.390 -0.065 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000385414247 790542699 /nfs/dbraw/zinc/54/26/99/790542699.db2.gz UGFMNPZIRBQHJF-VXGBXAGGSA-N 2 0 254.378 -0.524 20 0 CBADRP C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000386227999 790545054 /nfs/dbraw/zinc/54/50/54/790545054.db2.gz PJWXITSTWATDHB-WDEREUQCSA-N 2 0 276.406 -0.839 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@@H](C[NH3+])C1 ZINC000386199113 790545940 /nfs/dbraw/zinc/54/59/40/790545940.db2.gz WFCPRMREPHVBPR-QWHCGFSZSA-N 2 0 259.394 -0.404 20 0 CBADRP C[NH2+][C@@H]1CCCN(C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000386061926 790546429 /nfs/dbraw/zinc/54/64/29/790546429.db2.gz DQOBIUIXHMUMJI-OLZOCXBDSA-N 2 0 259.394 -0.391 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@H](C)[NH2+]C[C@H]1C ZINC000386343916 790547336 /nfs/dbraw/zinc/54/73/36/790547336.db2.gz LZCINABJRGQPDU-XQQFMLRXSA-N 2 0 259.394 -0.392 20 0 CBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000386527126 790547641 /nfs/dbraw/zinc/54/76/41/790547641.db2.gz OMLBLBQPDNBNAQ-UPJWGTAASA-N 2 0 258.362 -0.306 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[NH+](CCO)CC2)C1 ZINC000386334318 790547857 /nfs/dbraw/zinc/54/78/57/790547857.db2.gz QJJNJWNDWOHBHF-LBPRGKRZSA-N 2 0 255.362 -0.535 20 0 CBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000386527125 790548706 /nfs/dbraw/zinc/54/87/06/790548706.db2.gz OMLBLBQPDNBNAQ-JHJVBQTASA-N 2 0 258.362 -0.306 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C[C@H](O)C[NH+]1CCCC1 ZINC000388372203 790555039 /nfs/dbraw/zinc/55/50/39/790555039.db2.gz JWZJLRTWDLOVCV-AWEZNQCLSA-N 2 0 270.421 -0.720 20 0 CBADRP [NH3+][C@H](CC(F)F)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000388339982 790555670 /nfs/dbraw/zinc/55/56/70/790555670.db2.gz WRQZBCRFJZLZQM-IVZWLZJFSA-N 2 0 277.315 -0.052 20 0 CBADRP CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000388248078 790555898 /nfs/dbraw/zinc/55/58/98/790555898.db2.gz GTTGJJUULFNZOV-RYUDHWBXSA-N 2 0 291.417 -0.669 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000388376048 790556759 /nfs/dbraw/zinc/55/67/59/790556759.db2.gz QMFZUAWSZYMWPX-RDBSUJKOSA-N 2 0 271.405 -0.248 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000388696429 790557439 /nfs/dbraw/zinc/55/74/39/790557439.db2.gz FBXKLOBDWYRPJZ-UONOGXRCSA-N 2 0 273.421 -0.143 20 0 CBADRP C[NH2+]C1(C(=O)NCCCN2CC[NH+](C)CC2)CCC1 ZINC000388652364 790557837 /nfs/dbraw/zinc/55/78/37/790557837.db2.gz ZQJBFTFCFFGUJQ-UHFFFAOYSA-N 2 0 268.405 -0.118 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000388673182 790559492 /nfs/dbraw/zinc/55/94/92/790559492.db2.gz CXMZZMLKCLEPAY-RDBSUJKOSA-N 2 0 273.421 -0.015 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000388695367 790559741 /nfs/dbraw/zinc/55/97/41/790559741.db2.gz FBXKLOBDWYRPJZ-KBPBESRZSA-N 2 0 273.421 -0.143 20 0 CBADRP COCCOC[C@@H](O)C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392880035 790568687 /nfs/dbraw/zinc/56/86/87/790568687.db2.gz ROBYKDQRAFDVKQ-ZDUSSCGKSA-N 2 0 258.362 -0.138 20 0 CBADRP OC[C@@H](O)C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390855045 790565401 /nfs/dbraw/zinc/56/54/01/790565401.db2.gz IJKTVIBNBNFBHJ-INIZCTEOSA-N 2 0 293.411 -0.253 20 0 CBADRP CCCN(C[C@H](O)C[N@H+](C)CCOC)[C@H]1CC[NH2+]C1 ZINC000394062035 790577108 /nfs/dbraw/zinc/57/71/08/790577108.db2.gz AMRVCHWNJNNZQU-UONOGXRCSA-N 2 0 273.421 -0.001 20 0 CBADRP O=C1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CCN1 ZINC000396673255 790582661 /nfs/dbraw/zinc/58/26/61/790582661.db2.gz ASGPVCMKBLKVHB-RYUDHWBXSA-N 2 0 255.362 -0.299 20 0 CBADRP C[NH+](C)C1(CNS(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000398002963 790594347 /nfs/dbraw/zinc/59/43/47/790594347.db2.gz UICDSBFWFRJCID-UHFFFAOYSA-N 2 0 275.418 0.000 20 0 CBADRP C[NH+](C)C1(CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000398002526 790594750 /nfs/dbraw/zinc/59/47/50/790594750.db2.gz UFQTULIKLRPUSI-SNVBAGLBSA-N 2 0 261.391 -0.248 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)C3C[NH2+]C3)CC[C@@H]21 ZINC000405163644 790616369 /nfs/dbraw/zinc/61/63/69/790616369.db2.gz ZYZSPHHFQORBLW-PWSUYJOCSA-N 2 0 273.402 -0.296 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCN1CCCS1(=O)=O ZINC000405500715 790617972 /nfs/dbraw/zinc/61/79/72/790617972.db2.gz SLRYGTGOHYPUCX-ZJUUUORDSA-N 2 0 261.391 -0.263 20 0 CBADRP CS(=O)(=O)N1CC[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000690675711 790671279 /nfs/dbraw/zinc/67/12/79/790671279.db2.gz SKBFEMGLOAZXPB-BBMNEWJDSA-N 2 0 299.440 -0.146 20 0 CBADRP COC(=O)N(C)CC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000690772395 790671460 /nfs/dbraw/zinc/67/14/60/790671460.db2.gz WVRMCIDSVHSHLP-UHFFFAOYSA-N 2 0 258.366 -0.478 20 0 CBADRP CN(CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)S(C)(=O)=O ZINC000692415907 790675836 /nfs/dbraw/zinc/67/58/36/790675836.db2.gz FZBYDVATBYLKOB-OBPIAQAESA-N 2 0 287.429 -0.146 20 0 CBADRP C[C@@H]1CN(CCN2CCCS2(=O)=O)CC[C@H]1[NH3+] ZINC000695042648 790687693 /nfs/dbraw/zinc/68/76/93/790687693.db2.gz OHFFPCSZDUWVKP-GHMZBOCLSA-N 2 0 261.391 -0.309 20 0 CBADRP C[NH2+]C[C@H]1CCN(CCN2CCCS2(=O)=O)C1 ZINC000695060091 790687743 /nfs/dbraw/zinc/68/77/43/790687743.db2.gz VPTCPMBEIPCZSB-LLVKDONJSA-N 2 0 261.391 -0.437 20 0 CBADRP C[C@@H]1CN(CCN2CCCS2(=O)=O)CC[C@@H]1[NH3+] ZINC000695042653 790686991 /nfs/dbraw/zinc/68/69/91/790686991.db2.gz OHFFPCSZDUWVKP-MNOVXSKESA-N 2 0 261.391 -0.309 20 0 CBADRP C[C@@H](CCNS(=O)(=O)N1CC[NH2+]CC1)[NH+](C)C ZINC000697878095 790694755 /nfs/dbraw/zinc/69/47/55/790694755.db2.gz SBROISZOECEFEK-JTQLQIEISA-N 2 0 264.395 -0.934 20 0 CBADRP C[C@@H]1CC[C@H](N2CCN(CC(=O)N(C)C)CC2)C[NH2+]1 ZINC000700800778 790709442 /nfs/dbraw/zinc/70/94/42/790709442.db2.gz HRKVBSFAVSFFBN-OLZOCXBDSA-N 2 0 268.405 -0.167 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@@H](O)C[NH3+] ZINC000705604260 790723970 /nfs/dbraw/zinc/72/39/70/790723970.db2.gz YNIQTUIPMXZUMN-CYBMUJFWSA-N 3 0 288.436 -0.572 20 0 CBADRP C[N@H+](CCNC(=O)C[C@@H](O)C[NH3+])Cc1ccccc1 ZINC000705599633 790724881 /nfs/dbraw/zinc/72/48/81/790724881.db2.gz DVVJLNCHUUCYLZ-CYBMUJFWSA-N 2 0 265.357 -0.056 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)CCC2C[NH2+]C2)CC1 ZINC000709419616 790737223 /nfs/dbraw/zinc/73/72/23/790737223.db2.gz BTHLMGPPAQHTDV-UHFFFAOYSA-N 2 0 268.405 -0.260 20 0 CBADRP O[C@H](CN1CCOCC1)CN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000714976505 790751116 /nfs/dbraw/zinc/75/11/16/790751116.db2.gz WAPCERSMSTUPHV-RRFJBIMHSA-N 2 0 283.416 -0.247 20 0 CBADRP COC[C@H](C)OC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720646098 790770023 /nfs/dbraw/zinc/77/00/23/790770023.db2.gz IMCRAKOBFODJLM-XDQVBPFNSA-N 2 0 272.389 -0.060 20 0 CBADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CN1CC[NH2+]CC1 ZINC000720892995 790772535 /nfs/dbraw/zinc/77/25/35/790772535.db2.gz ABCSAGLBUUDWTH-STQMWFEESA-N 2 0 266.389 -0.413 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@H]([NH3+])C(C)(C)C1 ZINC000720830995 790773043 /nfs/dbraw/zinc/77/30/43/790773043.db2.gz URRXMHDVRWSSAK-RYUDHWBXSA-N 2 0 259.394 -0.405 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720904875 790774975 /nfs/dbraw/zinc/77/49/75/790774975.db2.gz XMABXWJOFKHCOQ-TUAOUCFPSA-N 2 0 254.378 -0.430 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)CC[NH3+] ZINC000722213480 790789565 /nfs/dbraw/zinc/78/95/65/790789565.db2.gz DAARWMQMLXOLOL-UHFFFAOYSA-N 3 0 294.465 -0.520 20 0 CBADRP C[NH2+]CCCN(C)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000722218510 790789591 /nfs/dbraw/zinc/78/95/91/790789591.db2.gz CPZBVRHLWDPCBU-UHFFFAOYSA-N 2 0 263.407 -0.143 20 0 CBADRP CC1CC[NH+](CCCNS(=O)(=O)C2C[NH2+]C2)CC1 ZINC000722221254 790790282 /nfs/dbraw/zinc/79/02/82/790790282.db2.gz YEMKDFRMUJFUMS-UHFFFAOYSA-N 2 0 275.418 0.000 20 0 CBADRP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1CC[NH3+] ZINC000723887133 790803026 /nfs/dbraw/zinc/80/30/26/790803026.db2.gz QXAVPRJPUHKTDJ-VXGBXAGGSA-N 2 0 255.362 -0.238 20 0 CBADRP C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)O[C@H]1CCOC1 ZINC000724930052 790813570 /nfs/dbraw/zinc/81/35/70/790813570.db2.gz GDUZYRVBJFXIHL-KGLIPLIRSA-N 2 0 269.389 -0.229 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCNC(=O)CN1CC[NH2+]CC1 ZINC000822123735 790831958 /nfs/dbraw/zinc/83/19/58/790831958.db2.gz CEASEBKHDYZLKG-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP C[C@]1(CNS(=O)(=O)N2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000822306724 790833432 /nfs/dbraw/zinc/83/34/32/790833432.db2.gz JVKJLTQKVXCJAP-NSHDSACASA-N 2 0 276.406 -0.884 20 0 CBADRP CCCN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000822911784 790839137 /nfs/dbraw/zinc/83/91/37/790839137.db2.gz DJLCPGFGYSTTGC-UHFFFAOYSA-N 2 0 290.433 -0.400 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866821830 790902405 /nfs/dbraw/zinc/90/24/05/790902405.db2.gz AVYOMYJPIOFEDX-TUAOUCFPSA-N 2 0 289.401 -0.869 20 0 CBADRP CN(CC[N@H+](C)CCO)C(=O)C[C@H]1CC[NH+](C)C1 ZINC000912598124 790915127 /nfs/dbraw/zinc/91/51/27/790915127.db2.gz BVZJAYGYYDTKMD-GFCCVEGCSA-N 2 0 257.378 -0.289 20 0 CBADRP C[NH+](C)C1CC(NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000908011202 790912732 /nfs/dbraw/zinc/91/27/32/790912732.db2.gz COEVPMVXBFWLHK-KMFOADKKSA-N 2 0 255.362 -0.350 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1)C(N)=O ZINC001020679176 790939748 /nfs/dbraw/zinc/93/97/48/790939748.db2.gz JDZVPHFUCCHMJB-DRZSPHRISA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001021906426 790968229 /nfs/dbraw/zinc/96/82/29/790968229.db2.gz NVQHFIYDRUVWJG-UKKRHICBSA-N 2 0 268.361 -0.809 20 0 CBADRP CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001021904766 790969657 /nfs/dbraw/zinc/96/96/57/790969657.db2.gz CLDPZTYMWPRUDL-YVECIDJPSA-N 2 0 294.399 -0.452 20 0 CBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)n1 ZINC001022096663 790989589 /nfs/dbraw/zinc/98/95/89/790989589.db2.gz JEQDVPVTQBADTL-TXEJJXNPSA-N 2 0 295.387 -0.713 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)CC[N@@H+]1C ZINC001022104994 790991117 /nfs/dbraw/zinc/99/11/17/790991117.db2.gz KCLDKVUBBFUTQL-LBELIVKGSA-N 2 0 294.399 -0.548 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001022370525 791009855 /nfs/dbraw/zinc/00/98/55/791009855.db2.gz NZOUTFQUFFXOPK-PHIMTYICSA-N 2 0 287.323 -0.330 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1)C(N)=O ZINC001022712254 791040366 /nfs/dbraw/zinc/04/03/66/791040366.db2.gz NNWHXSVFUYXVPQ-KXNHARMFSA-N 2 0 282.388 -0.419 20 0 CBADRP O=C(N[C@@H]1C[N@@H+](CCCF)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077007590 805670740 /nfs/dbraw/zinc/67/07/40/805670740.db2.gz TWSIUIJEODEWAE-BFHYXJOUSA-N 2 0 299.390 -0.151 20 0 CBADRP O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077007527 805672124 /nfs/dbraw/zinc/67/21/24/805672124.db2.gz QFHXJYWJNASPOP-RRFJBIMHSA-N 2 0 293.411 -0.101 20 0 CBADRP CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618252 805757432 /nfs/dbraw/zinc/75/74/32/805757432.db2.gz CZEOVENHFKDSST-MRVWCRGKSA-N 2 0 299.415 -0.476 20 0 CBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC001147892079 814924798 /nfs/dbraw/zinc/92/47/98/814924798.db2.gz HWRRGJSIWNHTJF-DZGCQCFKSA-N 2 0 299.415 -0.303 20 0 CBADRP CCOCCC[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147893995 814924975 /nfs/dbraw/zinc/92/49/75/814924975.db2.gz XDHCREULAHQQFY-UHFFFAOYSA-N 2 0 275.393 -0.303 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCCF)C[C@H]1O ZINC001077676733 805767897 /nfs/dbraw/zinc/76/78/97/805767897.db2.gz HIOARCNKMKHRGV-YNEHKIRRSA-N 2 0 287.379 -0.008 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCF)C[C@H]2O)C1 ZINC001077679075 805767456 /nfs/dbraw/zinc/76/74/56/805767456.db2.gz GLBJDYACMKOKGF-JHJVBQTASA-N 2 0 287.379 -0.151 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147886367 814925302 /nfs/dbraw/zinc/92/53/02/814925302.db2.gz VKAIJXOEBOXIJZ-MNOVXSKESA-N 2 0 270.377 -0.832 20 0 CBADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)CC1 ZINC001077778961 805783771 /nfs/dbraw/zinc/78/37/71/805783771.db2.gz ACZVYOGZUUUQLJ-ZIAGYGMSSA-N 2 0 299.415 -0.738 20 0 CBADRP COCCCC[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147892469 814925323 /nfs/dbraw/zinc/92/53/23/814925323.db2.gz IMEZVMXNHAFBJU-UHFFFAOYSA-N 2 0 275.393 -0.303 20 0 CBADRP CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012822 805824117 /nfs/dbraw/zinc/82/41/17/805824117.db2.gz CFJISMAYZBTAMP-YNEHKIRRSA-N 2 0 297.399 -0.722 20 0 CBADRP CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012821 805822804 /nfs/dbraw/zinc/82/28/04/805822804.db2.gz CFJISMAYZBTAMP-JHJVBQTASA-N 2 0 297.399 -0.722 20 0 CBADRP NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001078812380 805892035 /nfs/dbraw/zinc/89/20/35/805892035.db2.gz JLOANYRMICCPSL-VXGBXAGGSA-N 2 0 294.399 -0.416 20 0 CBADRP Cn1nccc1CC[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147976890 814927820 /nfs/dbraw/zinc/92/78/20/814927820.db2.gz DCYGYESHLKUHJF-UHFFFAOYSA-N 2 0 291.399 -0.236 20 0 CBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001082133691 806148200 /nfs/dbraw/zinc/14/82/00/806148200.db2.gz MPSNJKMXAOEARE-MGPQQGTHSA-N 2 0 299.415 -0.332 20 0 CBADRP COCCN1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001082133871 806149348 /nfs/dbraw/zinc/14/93/48/806149348.db2.gz UANGGCVCVLLVAR-BFHYXJOUSA-N 2 0 299.415 -0.068 20 0 CBADRP COCCN1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082132686 806149399 /nfs/dbraw/zinc/14/93/99/806149399.db2.gz NIAATVVDKFZUMG-MGPQQGTHSA-N 2 0 299.415 -0.210 20 0 CBADRP COC[C@H](C)[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147994625 814929157 /nfs/dbraw/zinc/92/91/57/814929157.db2.gz MHLSEGIBPLROGZ-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082369058 806169641 /nfs/dbraw/zinc/16/96/41/806169641.db2.gz WSFAIIZZPKHAEO-YNEHKIRRSA-N 2 0 285.388 -0.600 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(N)=O ZINC001082448502 806179026 /nfs/dbraw/zinc/17/90/26/806179026.db2.gz SWNAXCZHNVLHDB-GMTAPVOTSA-N 2 0 268.361 -0.998 20 0 CBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)C(N)=O ZINC001082719975 806190950 /nfs/dbraw/zinc/19/09/50/806190950.db2.gz ZXFLPDJXGYONSE-NTZNESFSSA-N 2 0 296.415 -0.362 20 0 CBADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1)[NH+](C)C ZINC001082748353 806192737 /nfs/dbraw/zinc/19/27/37/806192737.db2.gz IFVMUXIEJBLIME-UTUOFQBUSA-N 2 0 257.378 -0.245 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCO ZINC001082921128 806198241 /nfs/dbraw/zinc/19/82/41/806198241.db2.gz XUGAVDQFLJIRSX-GRYCIOLGSA-N 2 0 255.362 -0.633 20 0 CBADRP O=C(N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083465809 806335861 /nfs/dbraw/zinc/33/58/61/806335861.db2.gz TWSIUIJEODEWAE-MJBXVCDLSA-N 2 0 299.390 -0.151 20 0 CBADRP COCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465910 806337506 /nfs/dbraw/zinc/33/75/06/806337506.db2.gz XTRNWJILSURUJN-MJBXVCDLSA-N 2 0 297.399 -0.864 20 0 CBADRP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750121 806421443 /nfs/dbraw/zinc/42/14/43/806421443.db2.gz GVQXSFCGMFPURG-BNOWGMLFSA-N 2 0 299.415 -0.476 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2O)C1 ZINC001083780677 806431109 /nfs/dbraw/zinc/43/11/09/806431109.db2.gz GLBJDYACMKOKGF-XQQFMLRXSA-N 2 0 287.379 -0.151 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CCCO)C[C@H]32)C1 ZINC001084831390 806538117 /nfs/dbraw/zinc/53/81/17/806538117.db2.gz JPRODHKNQKUYPO-MGPQQGTHSA-N 2 0 281.400 -0.147 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCO)[C@H]2C1 ZINC001084905730 806542114 /nfs/dbraw/zinc/54/21/14/806542114.db2.gz KNXIXCZULOHCNE-RDBSUJKOSA-N 2 0 281.400 -0.004 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001085423316 806556075 /nfs/dbraw/zinc/55/60/75/806556075.db2.gz ISIOIPBZIAROGT-VXGBXAGGSA-N 2 0 282.388 -0.416 20 0 CBADRP CN(C[C@H]1CC[N@@H+]1CCCO)C(=O)C12CC[NH+](CC1)C2 ZINC001085928005 806622348 /nfs/dbraw/zinc/62/23/48/806622348.db2.gz LQMGMHPGIWWTRU-CYBMUJFWSA-N 2 0 281.400 -0.003 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927760 806622664 /nfs/dbraw/zinc/62/26/64/806622664.db2.gz GILXMTVTSOOURI-STQMWFEESA-N 2 0 281.400 -0.004 20 0 CBADRP CN(C[C@@H]1CC[N@@H+]1CCCO)C(=O)C12CC[NH+](CC1)C2 ZINC001085928006 806623402 /nfs/dbraw/zinc/62/34/02/806623402.db2.gz LQMGMHPGIWWTRU-ZDUSSCGKSA-N 2 0 281.400 -0.003 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001086047351 806639063 /nfs/dbraw/zinc/63/90/63/806639063.db2.gz NLDVMKVOWUBUIO-TUAOUCFPSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001086047067 806639119 /nfs/dbraw/zinc/63/91/19/806639119.db2.gz CSFVMNXUUGOETQ-NNYUYHANSA-N 2 0 282.388 -0.561 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001086047521 806639620 /nfs/dbraw/zinc/63/96/20/806639620.db2.gz TTYQTFBAADPRSV-RNJOBUHISA-N 2 0 296.415 -0.171 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001022976638 798870682 /nfs/dbraw/zinc/87/06/82/798870682.db2.gz CMZLSADQFOBLER-NDBYEHHHSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001022980150 798871929 /nfs/dbraw/zinc/87/19/29/798871929.db2.gz IIBMTBMNKPQHOV-GARJFASQSA-N 2 0 280.372 -0.807 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001023086670 798879768 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CBADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001025707994 798971124 /nfs/dbraw/zinc/97/11/24/798971124.db2.gz IBCZPPDLIUJKAD-OBPIAQAESA-N 2 0 294.399 -0.609 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025707969 798972538 /nfs/dbraw/zinc/97/25/38/798972538.db2.gz FCKCCKMHBQAIPP-MLGHIDQZSA-N 2 0 292.383 -0.985 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001025794041 798977099 /nfs/dbraw/zinc/97/70/99/798977099.db2.gz OKIZDJQWQJOAGE-GMDXDWKASA-N 2 0 281.400 -0.246 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21 ZINC001026045550 798987830 /nfs/dbraw/zinc/98/78/30/798987830.db2.gz HPAVQEROUWGCCG-QSLWVIQJSA-N 2 0 281.400 -0.387 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001026145830 798990992 /nfs/dbraw/zinc/99/09/92/798990992.db2.gz OCHNKNBVPZUHJJ-JZRPKSSGSA-N 2 0 267.373 -0.635 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001026464655 799005829 /nfs/dbraw/zinc/00/58/29/799005829.db2.gz PFVBFNCUZHUBDL-MCIGGMRASA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001026561359 799009666 /nfs/dbraw/zinc/00/96/66/799009666.db2.gz XTPCSNUPTBLJEG-HIFPTAJRSA-N 2 0 296.415 -0.027 20 0 CBADRP C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027333837 799040779 /nfs/dbraw/zinc/04/07/79/799040779.db2.gz DDUUODAMEVUEGR-OLZOCXBDSA-N 2 0 269.389 -0.004 20 0 CBADRP C[N@H+](CCO)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027650985 799062176 /nfs/dbraw/zinc/06/21/76/799062176.db2.gz HJRORIKOXPAEAA-CYBMUJFWSA-N 2 0 281.400 -0.003 20 0 CBADRP C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001027680919 799065799 /nfs/dbraw/zinc/06/57/99/799065799.db2.gz LZRSJKAPGUBVPB-CHWSQXEVSA-N 2 0 269.389 -0.147 20 0 CBADRP O=C(NC[C@@H]1CCC[N@H+]1CCO)[C@H]1C[NH+]2CCC1CC2 ZINC001027885359 799094648 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C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001028635951 799156296 /nfs/dbraw/zinc/15/62/96/799156296.db2.gz HYTFXFLAJAMMCN-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCO)C1 ZINC001028637527 799156621 /nfs/dbraw/zinc/15/66/21/799156621.db2.gz XTXPOSDBPYMIFF-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP O=C(NC[C@@H]1CC[N@@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC001028931760 799181229 /nfs/dbraw/zinc/18/12/29/799181229.db2.gz XLLJNPOYYFYMKH-LBPRGKRZSA-N 2 0 267.373 -0.487 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028931414 799181492 /nfs/dbraw/zinc/18/14/92/799181492.db2.gz QEFGLHARROQYSC-NEPJUHHUSA-N 2 0 294.399 -0.606 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028986145 799184575 /nfs/dbraw/zinc/18/45/75/799184575.db2.gz PVRLRXNTBCCEIR-CHWSQXEVSA-N 2 0 296.415 -0.536 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCO ZINC001029474746 799200368 /nfs/dbraw/zinc/20/03/68/799200368.db2.gz IATCDMFPDLSSHI-IGQOVBAYSA-N 2 0 281.400 -0.148 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001029473845 799200467 /nfs/dbraw/zinc/20/04/67/799200467.db2.gz VYLLWZVONPYSSA-MCIONIFRSA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCO ZINC001029474748 799200799 /nfs/dbraw/zinc/20/07/99/799200799.db2.gz IATCDMFPDLSSHI-YIYPIFLZSA-N 2 0 281.400 -0.148 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCCO)C1 ZINC001029584023 799202949 /nfs/dbraw/zinc/20/29/49/799202949.db2.gz MKEXNDKBEBTIQU-MCIONIFRSA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001030020087 799211765 /nfs/dbraw/zinc/21/17/65/799211765.db2.gz MPFQBBZGMMSYSE-SDDRHHMPSA-N 2 0 282.388 -0.465 20 0 CBADRP COCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031578300 799512733 /nfs/dbraw/zinc/51/27/33/799512733.db2.gz WHHNWGWPSDITNG-LBPRGKRZSA-N 2 0 255.362 -0.225 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCn2cncn2)C1 ZINC001031585033 799513812 /nfs/dbraw/zinc/51/38/12/799513812.db2.gz OJVWLHLAHDMWFW-CYBMUJFWSA-N 2 0 292.387 -0.580 20 0 CBADRP O=C(NCC1C[NH+](CCO)C1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001031669642 799530450 /nfs/dbraw/zinc/53/04/50/799530450.db2.gz PUPTZKFESMMGAT-ZIAGYGMSSA-N 2 0 281.400 -0.099 20 0 CBADRP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001031675865 799531525 /nfs/dbraw/zinc/53/15/25/799531525.db2.gz UQTWRYICDXQRPP-RISCZKNCSA-N 2 0 281.400 -0.243 20 0 CBADRP COCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001031688246 799533123 /nfs/dbraw/zinc/53/31/23/799533123.db2.gz BGEFXVMLQLSOLD-ZIAGYGMSSA-N 2 0 297.399 -0.456 20 0 CBADRP CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001031688948 799533809 /nfs/dbraw/zinc/53/38/09/799533809.db2.gz OILBZQODFMZULL-OLZOCXBDSA-N 2 0 267.373 -0.083 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCCO)C1 ZINC001031772412 799541823 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CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCCO)C1 ZINC001033660059 799777665 /nfs/dbraw/zinc/77/76/65/799777665.db2.gz HCQDLXUZGJEKII-OLZOCXBDSA-N 2 0 269.389 -0.147 20 0 CBADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CCO)C1 ZINC001034014817 799805744 /nfs/dbraw/zinc/80/57/44/799805744.db2.gz DRPRWWRVNXOEHD-CYBMUJFWSA-N 2 0 281.400 -0.003 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034612052 799848187 /nfs/dbraw/zinc/84/81/87/799848187.db2.gz PFVBFNCUZHUBDL-SRVKXCTJSA-N 2 0 282.388 -0.417 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034612047 799848462 /nfs/dbraw/zinc/84/84/62/799848462.db2.gz PFVBFNCUZHUBDL-IJLUTSLNSA-N 2 0 282.388 -0.417 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)C1 ZINC001034775486 799855572 /nfs/dbraw/zinc/85/55/72/799855572.db2.gz ASFCWWCAQFUVIG-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001034793403 799856474 /nfs/dbraw/zinc/85/64/74/799856474.db2.gz ZMCCAIGTRRWRFN-YVECIDJPSA-N 2 0 296.415 -0.171 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001035014634 799864120 /nfs/dbraw/zinc/86/41/20/799864120.db2.gz ZQPYBAWJKMSZHF-FRRDWIJNSA-N 2 0 294.399 -0.450 20 0 CBADRP CC(C)N1CCO[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001035325495 799891880 /nfs/dbraw/zinc/89/18/80/799891880.db2.gz BDPGCHRDWHZFBB-STQMWFEESA-N 2 0 285.388 -0.458 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC3(C[NH+](CCO)C3)CC2)C1 ZINC001035853499 799965214 /nfs/dbraw/zinc/96/52/14/799965214.db2.gz XYGOFPRDWDZJAZ-CYBMUJFWSA-N 2 0 281.400 -0.145 20 0 CBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1[NH2+]CCO ZINC001036266533 799984862 /nfs/dbraw/zinc/98/48/62/799984862.db2.gz NWVDDLGVVBSYQK-STQMWFEESA-N 2 0 281.400 -0.099 20 0 CBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CC(N)=O ZINC001036301009 799987076 /nfs/dbraw/zinc/98/70/76/799987076.db2.gz WNBWGKQFQUXEDO-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP O=C(N1CC[C@H]2[C@H](CC[N@H+]2CCO)C1)C12CC[NH+](CC1)C2 ZINC001036871692 800013829 /nfs/dbraw/zinc/01/38/29/800013829.db2.gz OSXJLBZJOWNLPR-KGLIPLIRSA-N 2 0 293.411 -0.003 20 0 CBADRP CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CC(N)=O ZINC001037977502 800026350 /nfs/dbraw/zinc/02/63/50/800026350.db2.gz HYNYNOLGXBIZJG-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP CN1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CC2CC2)C1 ZINC001038138308 800061700 /nfs/dbraw/zinc/06/17/00/800061700.db2.gz VFEILFMVRAMKCS-CHWSQXEVSA-N 2 0 267.373 -0.083 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001038144193 800063445 /nfs/dbraw/zinc/06/34/45/800063445.db2.gz WUVRPLWAGAJOQW-VXGBXAGGSA-N 2 0 255.362 -0.084 20 0 CBADRP O=C(NC[C@@H]1CC[N@H+]1CCCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001038247543 800086510 /nfs/dbraw/zinc/08/65/10/800086510.db2.gz INQYVIWDNYZRCA-UONOGXRCSA-N 2 0 281.400 -0.099 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+]2CCCO)CC[N@@H+]1C ZINC001038267519 800090758 /nfs/dbraw/zinc/09/07/58/800090758.db2.gz BOEDIWKONDZKHU-FRRDWIJNSA-N 2 0 269.389 -0.101 20 0 CBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+]2CCCO)C1 ZINC001038628109 801229786 /nfs/dbraw/zinc/22/97/86/801229786.db2.gz NDPJRFBTIHLCPY-KBPBESRZSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038927686 801268734 /nfs/dbraw/zinc/26/87/34/801268734.db2.gz YZLJESFJMGGPST-NWDGAFQWSA-N 2 0 267.373 -0.347 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@]3(CC[NH+](CCO)C3)C2)C1 ZINC001041830387 801421504 /nfs/dbraw/zinc/42/15/04/801421504.db2.gz GWWBJALIKLKBKN-ZFWWWQNUSA-N 2 0 281.400 -0.145 20 0 CBADRP O=C(N1CC[C@H]2CC[N@@H+](CCO)[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001042314805 801458491 /nfs/dbraw/zinc/45/84/91/801458491.db2.gz WUCOCKPWTAMDPL-ZIAGYGMSSA-N 2 0 293.411 -0.003 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)C[NH+]1CCCC1 ZINC001044858273 801672886 /nfs/dbraw/zinc/67/28/86/801672886.db2.gz QZNKEZPLCQHCDJ-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C[NH+]1CCCC1 ZINC001044858270 801673330 /nfs/dbraw/zinc/67/33/30/801673330.db2.gz QZNKEZPLCQHCDJ-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@]1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+](CCO)C1 ZINC001046317038 801751876 /nfs/dbraw/zinc/75/18/76/801751876.db2.gz DSMPDBBVEWFALZ-DZGCQCFKSA-N 2 0 281.400 -0.099 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](CCCO)C2)C1 ZINC001046839966 801798321 /nfs/dbraw/zinc/79/83/21/801798321.db2.gz VIHAQWZHGMHEHA-JSGCOSHPSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2C[NH+](CCO)C[C@@H]2O)CC[N@@H+]1C ZINC001047500458 801887448 /nfs/dbraw/zinc/88/74/48/801887448.db2.gz DGVIHGSQXPFEHZ-XUXIUFHCSA-N 2 0 299.415 -0.788 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047511590 801890659 /nfs/dbraw/zinc/89/06/59/801890659.db2.gz KTEGWPILRGEULN-XBFCOCLRSA-N 2 0 299.415 -0.788 20 0 CBADRP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001047528883 801895582 /nfs/dbraw/zinc/89/55/82/801895582.db2.gz GPPZADVSVABVMK-AGIUHOORSA-N 2 0 269.389 -0.006 20 0 CBADRP CN(C(=O)Cc1cnc[nH]1)[C@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001047544487 801899126 /nfs/dbraw/zinc/89/91/26/801899126.db2.gz BKRLIQMVHDQBPE-RYUDHWBXSA-N 2 0 284.335 -0.185 20 0 CBADRP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047597828 801907352 /nfs/dbraw/zinc/90/73/52/801907352.db2.gz HQFUPCUVOJIFAZ-IHRRRGAJSA-N 2 0 299.415 -0.786 20 0 CBADRP Cc1nc[nH]c1CC(=O)N(C)[C@H]1C[N@H+](C[C@H](C)O)C[C@@H]1O ZINC001047611972 801911902 /nfs/dbraw/zinc/91/19/02/801911902.db2.gz OAKCJYKYIABBDF-XDTLVQLUSA-N 2 0 296.371 -0.855 20 0 CBADRP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001047629210 801914612 /nfs/dbraw/zinc/91/46/12/801914612.db2.gz SZQTVKBVPQMOKR-AGIUHOORSA-N 2 0 285.388 -0.912 20 0 CBADRP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001047629211 801916267 /nfs/dbraw/zinc/91/62/67/801916267.db2.gz SZQTVKBVPQMOKR-AVGNSLFASA-N 2 0 285.388 -0.912 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1 ZINC001048723971 801955542 /nfs/dbraw/zinc/95/55/42/801955542.db2.gz RQWBKBMSRJVMKM-FRRDWIJNSA-N 2 0 267.373 -0.537 20 0 CBADRP C[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048723776 801956562 /nfs/dbraw/zinc/95/65/62/801956562.db2.gz PFTFTUARYJIHPM-NDBYEHHHSA-N 2 0 294.399 -0.655 20 0 CBADRP C[N@H+](CC(=O)N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1)C1CCC1 ZINC001048864760 801976783 /nfs/dbraw/zinc/97/67/83/801976783.db2.gz OQBHYDRUCZNVDY-BETUJISGSA-N 2 0 281.400 -0.147 20 0 CBADRP C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001049173987 802003978 /nfs/dbraw/zinc/00/39/78/802003978.db2.gz JYOIWSAGAVXCLC-MCIONIFRSA-N 2 0 293.411 -0.147 20 0 CBADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049214889 802009408 /nfs/dbraw/zinc/00/94/08/802009408.db2.gz AIJNWQUFBNTABD-BETUJISGSA-N 2 0 267.373 -0.535 20 0 CBADRP C[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001049215482 802009885 /nfs/dbraw/zinc/00/98/85/802009885.db2.gz WKZRKMUXWCRHJA-RWMBFGLXSA-N 2 0 294.399 -0.654 20 0 CBADRP O=C(N1CCC[C@H]2C[N@@H+](CCO)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001050184449 802055411 /nfs/dbraw/zinc/05/54/11/802055411.db2.gz GMLCUFONDGFAQX-UONOGXRCSA-N 2 0 293.411 -0.003 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001050462756 802064548 /nfs/dbraw/zinc/06/45/48/802064548.db2.gz ZCFINGOOKLDMSY-GFCCVEGCSA-N 2 0 294.399 -0.510 20 0 CBADRP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051931470 802172474 /nfs/dbraw/zinc/17/24/74/802172474.db2.gz BLPREJWZTUQMNW-VXGBXAGGSA-N 2 0 255.362 -0.225 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)CC2)CC1 ZINC001052677309 802212151 /nfs/dbraw/zinc/21/21/51/802212151.db2.gz PDNNKSOGJHSMQP-CYBMUJFWSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052868737 802223649 /nfs/dbraw/zinc/22/36/49/802223649.db2.gz XNJKLJSEYDFGKD-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052934329 802224393 /nfs/dbraw/zinc/22/43/93/802224393.db2.gz IYANZOXPQSOXHS-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052934337 802225140 /nfs/dbraw/zinc/22/51/40/802225140.db2.gz IYANZOXPQSOXHS-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CCO)CC2)C1 ZINC001052934288 802225259 /nfs/dbraw/zinc/22/52/59/802225259.db2.gz ISNIOZHKSBYXDK-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001054296980 802332996 /nfs/dbraw/zinc/33/29/96/802332996.db2.gz ZVMHWDAPSPBQDS-FRRDWIJNSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC(N)=O ZINC001054736538 802367184 /nfs/dbraw/zinc/36/71/84/802367184.db2.gz KJMURTVEGBWHCL-CMPLNLGQSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1[NH2+]CC(N)=O ZINC001054742359 802368088 /nfs/dbraw/zinc/36/80/88/802368088.db2.gz ZDFHOEDDNJXZTP-MNOVXSKESA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1[NH2+]CC(N)=O ZINC001054968565 802382552 /nfs/dbraw/zinc/38/25/52/802382552.db2.gz KCZDILWIFHEBSW-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001055479710 802396419 /nfs/dbraw/zinc/39/64/19/802396419.db2.gz DGYVZUYNVUHAAO-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210509 814934148 /nfs/dbraw/zinc/93/41/48/814934148.db2.gz PNHFPAKNOXFUQY-LLVKDONJSA-N 2 0 282.388 -0.654 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001118147356 812479337 /nfs/dbraw/zinc/47/93/37/812479337.db2.gz IIETXWKIALRMPH-QMMMGPOBSA-N 2 0 252.322 -0.720 20 0 CBADRP Cc1cc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)[nH]n1 ZINC001118149425 812479371 /nfs/dbraw/zinc/47/93/71/812479371.db2.gz GHPZXYVYJXFSSJ-ZDUSSCGKSA-N 2 0 267.377 -0.584 20 0 CBADRP CC[C@@H](C(=O)N1CC(N2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001119569339 812813040 /nfs/dbraw/zinc/81/30/40/812813040.db2.gz HDJRGZNEEWBMEU-ZDUSSCGKSA-N 2 0 268.405 -0.215 20 0 CBADRP [NH3+]C[C@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1C(F)(F)F ZINC001119618771 812835834 /nfs/dbraw/zinc/83/58/34/812835834.db2.gz RGRCZFKPDGKIFH-WYCDGMCDSA-N 2 0 267.295 -0.094 20 0 CBADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)CC2 ZINC001119619274 812835924 /nfs/dbraw/zinc/83/59/24/812835924.db2.gz XULCGBBMVYZQKI-RNJOBUHISA-N 3 0 269.389 -0.333 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1CCC[NH2+]C1 ZINC001121930809 813091111 /nfs/dbraw/zinc/09/11/11/813091111.db2.gz UMEXOJWWDMDCAC-SDDRHHMPSA-N 2 0 252.362 -0.757 20 0 CBADRP [NH3+]CC1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC(O)C1 ZINC001121931661 813091151 /nfs/dbraw/zinc/09/11/51/813091151.db2.gz QHSBILRAWQVBCQ-YXMLORGKSA-N 2 0 253.346 -0.702 20 0 CBADRP CC[NH+](CC)CC(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC001121935011 813091497 /nfs/dbraw/zinc/09/14/97/813091497.db2.gz BZULPRBTGHHMLE-UHFFFAOYSA-N 2 0 296.415 -0.170 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)NC[C@H]([NH3+])C2CC2)n1 ZINC001121930408 813091686 /nfs/dbraw/zinc/09/16/86/813091686.db2.gz HGFRJFQHIUKUKB-JTQLQIEISA-N 2 0 251.334 -0.301 20 0 CBADRP [NH3+]CC1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC(O)C1 ZINC001121931660 813091697 /nfs/dbraw/zinc/09/16/97/813091697.db2.gz QHSBILRAWQVBCQ-YDGIUTOCSA-N 2 0 253.346 -0.702 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001121933729 813091997 /nfs/dbraw/zinc/09/19/97/813091997.db2.gz SXNCHZIBHSVTOD-SCRDCRAPSA-N 2 0 267.373 -0.156 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC001122103421 813118308 /nfs/dbraw/zinc/11/83/08/813118308.db2.gz JSBIXXBIMKNWKC-NXEZZACHSA-N 2 0 257.378 -0.021 20 0 CBADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[C@@H]1COCC[NH2+]1)C2 ZINC001122404511 813160248 /nfs/dbraw/zinc/16/02/48/813160248.db2.gz YZIKSWOFZMCJPL-YFKTTZPYSA-N 2 0 253.346 -0.297 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CC(F)F ZINC001122400345 813160312 /nfs/dbraw/zinc/16/03/12/813160312.db2.gz AOOZQBNHZUSJNZ-RKDXNWHRSA-N 2 0 265.304 -0.194 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC001122426511 813164202 /nfs/dbraw/zinc/16/42/02/813164202.db2.gz IIOPMJNTNNFQHS-ZJUUUORDSA-N 2 0 263.345 -0.122 20 0 CBADRP C[NH2+]C1CC(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)C1 ZINC001122449042 813167358 /nfs/dbraw/zinc/16/73/58/813167358.db2.gz RGVDADCHSCQIEQ-IKWCTNDRSA-N 2 0 268.405 -0.265 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)=NO1 ZINC001122524538 813173673 /nfs/dbraw/zinc/17/36/73/813173673.db2.gz FHTGAWFMPPKFEZ-XRNSZHNASA-N 2 0 252.318 -0.509 20 0 CBADRP CCN(C(=O)[C@H]1CCCN(CC[NH3+])C1=O)[C@@H]1CCC[NH2+]C1 ZINC001122608939 813180533 /nfs/dbraw/zinc/18/05/33/813180533.db2.gz OGPRRQBCJUPJGE-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C(N)=O ZINC001129329530 813837501 /nfs/dbraw/zinc/83/75/01/813837501.db2.gz YDNFHLSTJVEPSX-CHWSQXEVSA-N 2 0 298.431 -0.066 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCO)C1 ZINC001129329167 813837773 /nfs/dbraw/zinc/83/77/73/813837773.db2.gz WKSAJUZITRZCGC-GFCCVEGCSA-N 2 0 257.378 -0.338 20 0 CBADRP C[NH+](C)C1(C(=O)NCC[NH2+]CC(=O)N2CCCC2)CCC1 ZINC001129351127 813837788 /nfs/dbraw/zinc/83/77/88/813837788.db2.gz LAOQDTYPQWZFKD-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001129341802 813838406 /nfs/dbraw/zinc/83/84/06/813838406.db2.gz ZQMUBAHYZPVPAB-CHWSQXEVSA-N 2 0 296.415 -0.441 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001133294429 814237038 /nfs/dbraw/zinc/23/70/38/814237038.db2.gz IMWDQFLSMQGNPE-UHFFFAOYSA-N 2 0 294.359 -0.927 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]CCCO[C@H]1CCOC1 ZINC001133291757 814237579 /nfs/dbraw/zinc/23/75/79/814237579.db2.gz YSULPLUINLOSGA-ZDUSSCGKSA-N 2 0 287.404 -0.161 20 0 CBADRP CCCC[C@@H]([NH2+]CCNC(=O)CC[NH+](C)C)C(N)=O ZINC001133291513 814237790 /nfs/dbraw/zinc/23/77/90/814237790.db2.gz SSUIVUQBHBHCGE-LLVKDONJSA-N 2 0 272.393 -0.312 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]Cc1cccc(C(N)=O)c1 ZINC001133294457 814237874 /nfs/dbraw/zinc/23/78/74/814237874.db2.gz JSQAZFVWUFJEAJ-UHFFFAOYSA-N 2 0 292.383 -0.057 20 0 CBADRP C[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)CC[NH+](C)C)C1 ZINC001133294758 814237888 /nfs/dbraw/zinc/23/78/88/814237888.db2.gz SDFNBIYKRMFDFF-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294277 814237920 /nfs/dbraw/zinc/23/79/20/814237920.db2.gz AMLHNXCIZUKFDD-VXGBXAGGSA-N 2 0 286.420 -0.053 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294359 814238042 /nfs/dbraw/zinc/23/80/42/814238042.db2.gz FMRODBMNSIVZLW-UHFFFAOYSA-N 2 0 272.393 -0.488 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001133415662 814250870 /nfs/dbraw/zinc/25/08/70/814250870.db2.gz JMZDLPWGDNCTNT-GFCCVEGCSA-N 2 0 282.392 -0.393 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2cnnn2C)C1 ZINC001133842224 814304646 /nfs/dbraw/zinc/30/46/46/814304646.db2.gz HLIZWBHDXIXQFI-NSHDSACASA-N 2 0 280.376 -0.637 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)N(C)C ZINC001133845423 814305950 /nfs/dbraw/zinc/30/59/50/814305950.db2.gz FMHVXEFPVKJZFV-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1(C(N)=O)CC1 ZINC001143156320 814760252 /nfs/dbraw/zinc/76/02/52/814760252.db2.gz MEIRHPJOCPQPTQ-UHFFFAOYSA-N 2 0 298.431 -0.016 20 0 CBADRP C[NH+](C)CCCCC(=O)NCC[NH2+]CCOCCO ZINC001148360414 814939726 /nfs/dbraw/zinc/93/97/26/814939726.db2.gz TZWFJNISQOUUJK-UHFFFAOYSA-N 2 0 275.393 -0.567 20 0 CBADRP C[NH+](C)CCCCC(=O)NCC[NH2+]CCn1cncn1 ZINC001148365141 814940891 /nfs/dbraw/zinc/94/08/91/814940891.db2.gz ITMMCOABFYMXLQ-UHFFFAOYSA-N 2 0 282.392 -0.284 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)CCCC[NH+](C)C)C(N)=O ZINC001148360639 814941953 /nfs/dbraw/zinc/94/19/53/814941953.db2.gz YNLKMWXHTFIUBH-SNVBAGLBSA-N 2 0 258.366 -0.702 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001148578962 814950475 /nfs/dbraw/zinc/95/04/75/814950475.db2.gz XWWQXGWHZUANLL-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001148573747 814950544 /nfs/dbraw/zinc/95/05/44/814950544.db2.gz YDNAKNIRGSJQOR-LLVKDONJSA-N 2 0 298.387 -0.771 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@H](CC)C(N)=O ZINC001148577867 814951404 /nfs/dbraw/zinc/95/14/04/814951404.db2.gz HEHPSFZCISNLTP-LLVKDONJSA-N 2 0 272.393 -0.312 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148604248 814953272 /nfs/dbraw/zinc/95/32/72/814953272.db2.gz BLRQDTAROVJMSE-CYBMUJFWSA-N 2 0 299.415 -0.520 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001148642446 814954313 /nfs/dbraw/zinc/95/43/13/814954313.db2.gz JFGLOQWTLJNJBS-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001148642030 814954582 /nfs/dbraw/zinc/95/45/82/814954582.db2.gz CDJYYEHLZAWISL-GFCCVEGCSA-N 2 0 294.403 -0.187 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001148642876 814954618 /nfs/dbraw/zinc/95/46/18/814954618.db2.gz OYXXSORCVYYVOB-UHFFFAOYSA-N 2 0 285.392 -0.941 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NC(C)C ZINC001148638466 814955116 /nfs/dbraw/zinc/95/51/16/814955116.db2.gz IDUUHYLZCFKHOT-UHFFFAOYSA-N 2 0 272.393 -0.441 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NCC(C)C ZINC001148643407 814955255 /nfs/dbraw/zinc/95/52/55/814955255.db2.gz YWLMSJUNCMAWCW-UHFFFAOYSA-N 2 0 286.420 -0.194 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CC[NH+]([C@H](C)C(N)=O)C2 ZINC001148838627 814959352 /nfs/dbraw/zinc/95/93/52/814959352.db2.gz CSZIQMOLBTUWEB-GFCCVEGCSA-N 2 0 296.415 -0.265 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC(N)=O)[NH+](C)C ZINC001321637346 803794003 /nfs/dbraw/zinc/79/40/03/803794003.db2.gz MXVURHKCBPMDJN-MWLCHTKSSA-N 2 0 258.366 -0.848 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)Cc1c[nH]cn1 ZINC001321662036 803798010 /nfs/dbraw/zinc/79/80/10/803798010.db2.gz SOTPICDMGRYAOW-SECBINFHSA-N 2 0 267.333 -0.865 20 0 CBADRP C[C@@H](C[NH2+]CCN1CCCC1=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001322074223 803856747 /nfs/dbraw/zinc/85/67/47/803856747.db2.gz YUJRDAGNUDFMMD-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[C@H](C(=O)N(C)CCC[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001322683602 803927612 /nfs/dbraw/zinc/92/76/12/803927612.db2.gz SICWTMKPQMBDSE-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001325380779 804281283 /nfs/dbraw/zinc/28/12/83/804281283.db2.gz PDYVPASBGOGZIM-STQMWFEESA-N 2 0 294.399 -0.449 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001325378058 804281515 /nfs/dbraw/zinc/28/15/15/804281515.db2.gz CYKSACISXBCQSH-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC001325394369 804283988 /nfs/dbraw/zinc/28/39/88/804283988.db2.gz PQICVQHGYWGOBH-JHJVBQTASA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001325414257 804285781 /nfs/dbraw/zinc/28/57/81/804285781.db2.gz UEYUUMIAMDXOAF-DGCLKSJQSA-N 2 0 296.415 -0.441 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001325414256 804286043 /nfs/dbraw/zinc/28/60/43/804286043.db2.gz UEYUUMIAMDXOAF-AAEUAGOBSA-N 2 0 296.415 -0.441 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001325705097 804307749 /nfs/dbraw/zinc/30/77/49/804307749.db2.gz RXADNDOYDJGVCN-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP Cc1nccnc1CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001325853584 804324978 /nfs/dbraw/zinc/32/49/78/804324978.db2.gz HKTIFEBQKDHQCB-CQSZACIVSA-N 2 0 293.415 -0.475 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCOCC(F)F)CC1 ZINC001325877591 804331372 /nfs/dbraw/zinc/33/13/72/804331372.db2.gz FLHPJQBGBGBWRV-NSHDSACASA-N 2 0 281.347 -0.534 20 0 CBADRP C[NH+](C)[C@H](C(=O)NC[C@@H]1C[N@H+](CCO)CCCO1)C1CC1 ZINC001149842513 815011863 /nfs/dbraw/zinc/01/18/63/815011863.db2.gz VUFQXHWGMDAFGU-KGLIPLIRSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)CCCC(=O)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001150193479 815020882 /nfs/dbraw/zinc/02/08/82/815020882.db2.gz OKFYBKPCZVCOHV-ZDUSSCGKSA-N 2 0 287.404 -0.472 20 0 CBADRP C[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150715404 815040167 /nfs/dbraw/zinc/04/01/67/815040167.db2.gz KJJFPRPHBNAXFQ-UONOGXRCSA-N 2 0 299.415 -0.330 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001150715359 815041610 /nfs/dbraw/zinc/04/16/10/815041610.db2.gz JURVOJTZYRDNRK-ZDUSSCGKSA-N 2 0 285.388 -0.718 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[NH+](CCO)CCCO1 ZINC001150796625 815043995 /nfs/dbraw/zinc/04/39/95/815043995.db2.gz WPDFYJJZDFWJNV-ZDUSSCGKSA-N 2 0 287.404 -0.474 20 0 CBADRP Cn1nccc1CC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151058284 815053876 /nfs/dbraw/zinc/05/38/76/815053876.db2.gz YWNUSKOXHYXWKD-GFCCVEGCSA-N 2 0 279.388 -0.380 20 0 CBADRP Cn1cncc1C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049444 815054827 /nfs/dbraw/zinc/05/48/27/815054827.db2.gz OZFIBAPQYUDEID-NSHDSACASA-N 2 0 265.361 -0.422 20 0 CBADRP CC(C)N1CC[C@H]([NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001151066982 815056889 /nfs/dbraw/zinc/05/68/89/815056889.db2.gz ZSBNTDRVTZLSGF-STQMWFEESA-N 2 0 296.415 -0.347 20 0 CBADRP Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001151049590 815055460 /nfs/dbraw/zinc/05/54/60/815055460.db2.gz SVIPCKPVHSWZAV-CYBMUJFWSA-N 2 0 294.403 -0.448 20 0 CBADRP CCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049393 815055592 /nfs/dbraw/zinc/05/55/92/815055592.db2.gz NAHKKPCDXMBXOC-LBPRGKRZSA-N 2 0 284.404 -0.440 20 0 CBADRP Cc1nccnc1C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151065728 815055971 /nfs/dbraw/zinc/05/59/71/815055971.db2.gz NKAFEMIDOOLISP-LBPRGKRZSA-N 2 0 277.372 -0.057 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001151066153 815056079 /nfs/dbraw/zinc/05/60/79/815056079.db2.gz RBQQVDHDBHKDIP-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001151072938 815056544 /nfs/dbraw/zinc/05/65/44/815056544.db2.gz ATSXJPXGJKEMTE-MNOVXSKESA-N 2 0 282.388 -0.689 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151066977 815057082 /nfs/dbraw/zinc/05/70/82/815057082.db2.gz ZQEPMEGNYCHMHR-GFCCVEGCSA-N 2 0 284.404 -0.584 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001151072939 815057635 /nfs/dbraw/zinc/05/76/35/815057635.db2.gz ATSXJPXGJKEMTE-QWRGUYRKSA-N 2 0 282.388 -0.689 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCOC[C@H]2CCCO2)C1 ZINC001151066740 815057864 /nfs/dbraw/zinc/05/78/64/815057864.db2.gz YIASEECULRFDDV-ZIAGYGMSSA-N 2 0 299.415 -0.161 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151073057 815058146 /nfs/dbraw/zinc/05/81/46/815058146.db2.gz FLOXZFMYCDHRLO-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151073936 815059499 /nfs/dbraw/zinc/05/94/99/815059499.db2.gz SSPBUMNAFYIFML-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151098072 815061101 /nfs/dbraw/zinc/06/11/01/815061101.db2.gz UCRKRFHXVTVNQZ-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]C[C@H]1CCOC1 ZINC001151101064 815061820 /nfs/dbraw/zinc/06/18/20/815061820.db2.gz KOCLSPMJMNERTD-GFCCVEGCSA-N 2 0 255.362 -0.176 20 0 CBADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001151101525 815062809 /nfs/dbraw/zinc/06/28/09/815062809.db2.gz QURPPKUHWDGCKS-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072544341 805311824 /nfs/dbraw/zinc/31/18/24/805311824.db2.gz JPBIDVSSUHEPHR-RYUDHWBXSA-N 2 0 294.399 -0.511 20 0 CBADRP CC[NH+](CC)C1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC001160484156 815628289 /nfs/dbraw/zinc/62/82/89/815628289.db2.gz ZJAJFVGBYNPWGX-CHWSQXEVSA-N 2 0 269.389 -0.101 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](CCCO)C3)C1 ZINC001073425672 805367722 /nfs/dbraw/zinc/36/77/22/805367722.db2.gz DIUKDQXXDSZVFL-CYBMUJFWSA-N 2 0 281.400 -0.145 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001073430246 805370320 /nfs/dbraw/zinc/37/03/20/805370320.db2.gz AWWLSPNLRHXLBB-CYBMUJFWSA-N 2 0 281.400 -0.003 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCCO)CCCO1 ZINC001073554180 805388221 /nfs/dbraw/zinc/38/82/21/805388221.db2.gz DNQRSMHQTWZIAZ-UONOGXRCSA-N 2 0 299.415 -0.330 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCCO)CCCO1 ZINC001073554181 805388924 /nfs/dbraw/zinc/38/89/24/805388924.db2.gz DNQRSMHQTWZIAZ-ZIAGYGMSSA-N 2 0 299.415 -0.330 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151354260 815072654 /nfs/dbraw/zinc/07/26/54/815072654.db2.gz KRTOEHLXQHSRHX-UHFFFAOYSA-N 2 0 284.404 -0.296 20 0 CBADRP O=C(CCC[NH+]1CCCCC1)NCC[NH2+]CCO ZINC001151361468 815073221 /nfs/dbraw/zinc/07/32/21/815073221.db2.gz HPLSHSNJFRTSQG-UHFFFAOYSA-N 2 0 257.378 -0.049 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CCO)CCCO2)C1 ZINC001073892022 805424702 /nfs/dbraw/zinc/42/47/02/805424702.db2.gz WTGSQZHUWWLQGE-CHWSQXEVSA-N 2 0 285.388 -0.863 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)[C@@H]1C)[NH+](C)C ZINC001074709715 805468171 /nfs/dbraw/zinc/46/81/71/805468171.db2.gz NTRRVHAYRXLFEL-FIQHERPVSA-N 2 0 284.404 -0.221 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C)C(N)=O ZINC001074809245 805473535 /nfs/dbraw/zinc/47/35/35/805473535.db2.gz ARCJVIAWRHLNTK-VOAKCMCISA-N 2 0 296.415 -0.077 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001075108824 805483408 /nfs/dbraw/zinc/48/34/08/805483408.db2.gz PNILIKKGSDLAOY-TUAOUCFPSA-N 2 0 255.362 -0.491 20 0 CBADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C)C(N)=O ZINC001075108764 805483542 /nfs/dbraw/zinc/48/35/42/805483542.db2.gz KIHIJZKRNQUYDX-XQQFMLRXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001152138105 815106335 /nfs/dbraw/zinc/10/63/35/815106335.db2.gz RMNBJYHDOCSUDH-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152138135 815106388 /nfs/dbraw/zinc/10/63/88/815106388.db2.gz SGJUTCVHSLKHDP-PHIMTYICSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]CCCO ZINC001152145349 815106886 /nfs/dbraw/zinc/10/68/86/815106886.db2.gz BAXAVYDTWCVRQN-TXEJJXNPSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]Cc1cnnn1C ZINC001152138170 815106986 /nfs/dbraw/zinc/10/69/86/815106986.db2.gz TYLXCNHNDDIMIP-TXEJJXNPSA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]CCn1cncn1 ZINC001152148062 815108251 /nfs/dbraw/zinc/10/82/51/815108251.db2.gz OHSKMNHBVPRVFD-CHWSQXEVSA-N 2 0 294.403 -0.143 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001152149562 815108500 /nfs/dbraw/zinc/10/85/00/815108500.db2.gz YOABEYZGMDOMOZ-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])C(=O)c1ccc2c[nH+]cn2c1 ZINC001152187332 815109869 /nfs/dbraw/zinc/10/98/69/815109869.db2.gz HUKVVNKDJRNZGD-UHFFFAOYSA-N 2 0 282.325 -0.305 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152223626 815110738 /nfs/dbraw/zinc/11/07/38/815110738.db2.gz NLIUCFRGPOAGKI-UHFFFAOYSA-N 2 0 270.377 -0.686 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001152432906 815120602 /nfs/dbraw/zinc/12/06/02/815120602.db2.gz QBGDIPLDRZOQKU-UHFFFAOYSA-N 2 0 284.404 -0.441 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152439637 815120727 /nfs/dbraw/zinc/12/07/27/815120727.db2.gz QDVUUMWAXIXYPH-UHFFFAOYSA-N 2 0 282.392 -0.156 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152426851 815120978 /nfs/dbraw/zinc/12/09/78/815120978.db2.gz ORWLFNSJOKDOJN-UHFFFAOYSA-N 2 0 272.393 -0.441 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152432577 815121376 /nfs/dbraw/zinc/12/13/76/815121376.db2.gz LNEPYZGTMJVCII-SNVBAGLBSA-N 2 0 258.366 -0.833 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001152446425 815122614 /nfs/dbraw/zinc/12/26/14/815122614.db2.gz YMYMBPFHEHMXAZ-UHFFFAOYSA-N 2 0 298.387 -0.819 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152480593 815123983 /nfs/dbraw/zinc/12/39/83/815123983.db2.gz XMXVZTKZUICBIC-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001152457710 815124109 /nfs/dbraw/zinc/12/41/09/815124109.db2.gz HJEAQAGHTKOJCG-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001152457708 815124267 /nfs/dbraw/zinc/12/42/67/815124267.db2.gz HJEAQAGHTKOJCG-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](C)O ZINC001152458022 815124316 /nfs/dbraw/zinc/12/43/16/815124316.db2.gz KTYIVQPKKDLNTB-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152470439 815124320 /nfs/dbraw/zinc/12/43/20/815124320.db2.gz AJLZFRCESZQNGK-CYBMUJFWSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCOCCO ZINC001152459141 815124435 /nfs/dbraw/zinc/12/44/35/815124435.db2.gz ZSRHLVSQCVHPDY-CYBMUJFWSA-N 2 0 287.404 -0.425 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001152457712 815124639 /nfs/dbraw/zinc/12/46/39/815124639.db2.gz HJEAQAGHTKOJCG-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152471732 815124817 /nfs/dbraw/zinc/12/48/17/815124817.db2.gz OESGPFUIVWOZHX-AWEZNQCLSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1c1ncc2c(n1)CC[NH2+]C2 ZINC001154970966 815255090 /nfs/dbraw/zinc/25/50/90/815255090.db2.gz ZMKBXFZSHNIDTC-GFCCVEGCSA-N 2 0 277.372 -0.111 20 0 CBADRP [NH3+][C@H]1COC[C@H]1Nc1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001155353412 815278368 /nfs/dbraw/zinc/27/83/68/815278368.db2.gz PBTGKMMAHGYCAD-NWDGAFQWSA-N 2 0 291.355 -0.735 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1nnc2ccccn21 ZINC001155387909 815280319 /nfs/dbraw/zinc/28/03/19/815280319.db2.gz AWPYEFHKJOQQLX-UHFFFAOYSA-N 2 0 275.316 -0.196 20 0 CBADRP c1nc2c(c(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)n1)CC[NH2+]C2 ZINC001155483282 815286774 /nfs/dbraw/zinc/28/67/74/815286774.db2.gz SIEWRZIXVYOKJO-IRUJWGPZSA-N 2 0 275.356 -0.231 20 0 CBADRP c1c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)nnc2c1C[NH2+]CC2 ZINC001155483132 815286812 /nfs/dbraw/zinc/28/68/12/815286812.db2.gz HKWVWVVHRQGQPS-NQBHXWOUSA-N 2 0 275.356 -0.231 20 0 CBADRP c1nc2c(c(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)n1)CC[NH2+]CC2 ZINC001155480194 815286902 /nfs/dbraw/zinc/28/69/02/815286902.db2.gz RGFIBABKZBKUDB-MPKXVKKWSA-N 2 0 289.383 -0.189 20 0 CBADRP c1nc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)cc(C2C[NH2+]C2)n1 ZINC001155509359 815288779 /nfs/dbraw/zinc/28/87/79/815288779.db2.gz ASDYJJHXWNPPDD-YUSALJHKSA-N 2 0 261.329 -0.438 20 0 CBADRP c1ncc(N2CC[NH2+]CC2)nc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001155504562 815288972 /nfs/dbraw/zinc/28/89/72/815288972.db2.gz APFNFDCKWSOYEM-IJLUTSLNSA-N 2 0 290.371 -0.715 20 0 CBADRP c1nc2c(c(NC[C@@]34C[NH2+][C@@H](CO3)C4)n1)CC[NH2+]C2 ZINC001155542031 815291654 /nfs/dbraw/zinc/29/16/54/815291654.db2.gz XKRVQYONWYOYMN-NOZJJQNGSA-N 2 0 261.329 -0.335 20 0 CBADRP c1nc2c(c(NC[C@@]34C[NH2+][C@@H](CO3)C4)n1)CC[NH2+]CC2 ZINC001155537447 815291678 /nfs/dbraw/zinc/29/16/78/815291678.db2.gz MHGVNJIDNAHDDA-QMTHXVAHSA-N 2 0 275.356 -0.292 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CNC(=O)N1 ZINC001160628973 815645554 /nfs/dbraw/zinc/64/55/54/815645554.db2.gz NBIKWPTVUSOAOE-LBPRGKRZSA-N 2 0 299.419 -0.600 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1COCN1 ZINC001160628903 815645637 /nfs/dbraw/zinc/64/56/37/815645637.db2.gz IMGIVGZIWFOUFG-ZDUSSCGKSA-N 2 0 286.420 -0.336 20 0 CBADRP CCn1ncnc1C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155789923 815312014 /nfs/dbraw/zinc/31/20/14/815312014.db2.gz HXUCIPQSQJRDTB-GFCCVEGCSA-N 2 0 294.403 -0.012 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCOCCO ZINC001155795582 815312628 /nfs/dbraw/zinc/31/26/28/815312628.db2.gz JADRKGRZPWXMPU-LBPRGKRZSA-N 2 0 273.377 -0.815 20 0 CBADRP CCn1nncc1C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155791019 815313771 /nfs/dbraw/zinc/31/37/71/815313771.db2.gz QSBPTHUPVLSGJY-ZDUSSCGKSA-N 2 0 294.403 -0.012 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001155813575 815314585 /nfs/dbraw/zinc/31/45/85/815314585.db2.gz SKDURGPDSYNYRR-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001155814096 815314947 /nfs/dbraw/zinc/31/49/47/815314947.db2.gz VGAVKFFHUSWQJJ-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001155813578 815315677 /nfs/dbraw/zinc/31/56/77/815315677.db2.gz SKDURGPDSYNYRR-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001086090204 810240996 /nfs/dbraw/zinc/24/09/96/810240996.db2.gz MOXJYQXVWGYNMS-WISYIIOYSA-N 2 0 282.388 -0.704 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001086122480 810243360 /nfs/dbraw/zinc/24/33/60/810243360.db2.gz MUIDTEIIVKIPCB-NDBYEHHHSA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001086177398 810247328 /nfs/dbraw/zinc/24/73/28/810247328.db2.gz SIAVEGXDZGIIHR-HZSPNIEDSA-N 2 0 299.415 -0.428 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC001086186960 810247455 /nfs/dbraw/zinc/24/74/55/810247455.db2.gz YCBQKJQHTOWAQB-KLPPZKSPSA-N 2 0 282.388 -0.702 20 0 CBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001086177399 810247695 /nfs/dbraw/zinc/24/76/95/810247695.db2.gz SIAVEGXDZGIIHR-MJBXVCDLSA-N 2 0 299.415 -0.428 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001086324555 810260804 /nfs/dbraw/zinc/26/08/04/810260804.db2.gz CSFVMNXUUGOETQ-KKOKHZNYSA-N 2 0 282.388 -0.561 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001086368159 810265575 /nfs/dbraw/zinc/26/55/75/810265575.db2.gz UEWSKOADSOJDOJ-RAIGVLPGSA-N 2 0 294.399 -0.702 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086381629 810265885 /nfs/dbraw/zinc/26/58/85/810265885.db2.gz CCIDLGKOQQTFEC-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001086466839 810271968 /nfs/dbraw/zinc/27/19/68/810271968.db2.gz YCBQKJQHTOWAQB-UMSPYCQHSA-N 2 0 282.388 -0.702 20 0 CBADRP CC[N@H+](CCO)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156373967 815356608 /nfs/dbraw/zinc/35/66/08/815356608.db2.gz HDVUKLMWWMSZAH-GFCCVEGCSA-N 2 0 275.393 -0.617 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001086550857 810278374 /nfs/dbraw/zinc/27/83/74/810278374.db2.gz YCDKMSRSIHUXDH-ZDEQEGDKSA-N 2 0 294.399 -0.689 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001086552040 810278393 /nfs/dbraw/zinc/27/83/93/810278393.db2.gz UDKAAJGLMQKUMG-IJLUTSLNSA-N 2 0 255.362 -0.585 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086551865 810279304 /nfs/dbraw/zinc/27/93/04/810279304.db2.gz OCUYRVLWDUCHTA-CYDGBPFRSA-N 2 0 269.389 -0.197 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001086875511 810288308 /nfs/dbraw/zinc/28/83/08/810288308.db2.gz VSYVGTDIBSOHDA-SDDRHHMPSA-N 2 0 282.388 -0.702 20 0 CBADRP O=C(N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001088172312 810323784 /nfs/dbraw/zinc/32/37/84/810323784.db2.gz FWMORVUJOGXXDI-KGLIPLIRSA-N 2 0 293.411 -0.145 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCO ZINC001088984346 810371502 /nfs/dbraw/zinc/37/15/02/810371502.db2.gz VTWLLVOFTBBJBA-NEPJUHHUSA-N 2 0 267.373 -0.347 20 0 CBADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O)[NH+]1CCCC1 ZINC001090490661 810508663 /nfs/dbraw/zinc/50/86/63/810508663.db2.gz SUCYSZXOGQHFNB-CHWSQXEVSA-N 2 0 299.415 -0.596 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001090731123 810559272 /nfs/dbraw/zinc/55/92/72/810559272.db2.gz PQWLWTMOTVIYOB-OLZOCXBDSA-N 2 0 297.399 -0.984 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCCF)C[C@@H]1O ZINC001090817849 810573339 /nfs/dbraw/zinc/57/33/39/810573339.db2.gz SWWPYCMBKLOCHL-OLZOCXBDSA-N 2 0 287.379 -0.007 20 0 CBADRP O=C(NCC1CC([NH2+]CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001091027290 810586656 /nfs/dbraw/zinc/58/66/56/810586656.db2.gz CZLNCSPBDKAOHE-UBHUBRDASA-N 2 0 281.400 -0.195 20 0 CBADRP C[NH+]1CCC(C(=O)NCC2CC([NH2+]CC(N)=O)C2)CC1 ZINC001091214030 810598029 /nfs/dbraw/zinc/59/80/29/810598029.db2.gz YCBQKJQHTOWAQB-UHFFFAOYSA-N 2 0 282.388 -0.702 20 0 CBADRP C[NH+]1CCC(C(=O)NCC2CC([NH2+]CCO)C2)CC1 ZINC001091217088 810598339 /nfs/dbraw/zinc/59/83/39/810598339.db2.gz LYNBUHBNJWTOCV-UHFFFAOYSA-N 2 0 269.389 -0.195 20 0 CBADRP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1)[NH+](C)C ZINC001091780512 810615345 /nfs/dbraw/zinc/61/53/45/810615345.db2.gz NTFFTOYXJDJKQK-JMSVASOKSA-N 2 0 296.415 -0.408 20 0 CBADRP N=c1cc(C[NH3+])ccn1-c1cncc(N2CC[NH2+]CC2)n1 ZINC001156850373 815384613 /nfs/dbraw/zinc/38/46/13/815384613.db2.gz JKAIEAHFIPZRKW-UHFFFAOYSA-N 2 0 285.355 -0.385 20 0 CBADRP N=c1cc(C[NH3+])ccn1-c1ncc2c(n1)CC[NH2+]C2 ZINC001156849965 815385135 /nfs/dbraw/zinc/38/51/35/815385135.db2.gz MSFKKVVHUQPFAR-UHFFFAOYSA-N 2 0 256.313 -0.149 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093134158 810645284 /nfs/dbraw/zinc/64/52/84/810645284.db2.gz WLAGFYBPJNXTBU-CHWSQXEVSA-N 2 0 281.400 -0.241 20 0 CBADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093193979 810647705 /nfs/dbraw/zinc/64/77/05/810647705.db2.gz SCMVNIUMTWSWPJ-JHJVBQTASA-N 2 0 296.415 -0.632 20 0 CBADRP CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001093343897 810651906 /nfs/dbraw/zinc/65/19/06/810651906.db2.gz WDKKTFJIMHXFHK-NSHDSACASA-N 2 0 292.387 -0.277 20 0 CBADRP [NH3+]CCc1nnn(-c2nccc(C3CC[NH2+]CC3)n2)n1 ZINC001156988974 815395876 /nfs/dbraw/zinc/39/58/76/815395876.db2.gz QGJUNJYOLBQAGJ-UHFFFAOYSA-N 2 0 274.332 -0.580 20 0 CBADRP C[NH+]1CCN(c2cccc(-n3nnc(CC[NH3+])n3)n2)CC1 ZINC001156988737 815396190 /nfs/dbraw/zinc/39/61/90/815396190.db2.gz JPRGEBOQJLLKIF-UHFFFAOYSA-N 2 0 288.359 -0.690 20 0 CBADRP COC(=O)[C@@H](CCC[NH3+])Nc1cc2c(nn1)CC[NH2+]C2 ZINC001157115898 815406151 /nfs/dbraw/zinc/40/61/51/815406151.db2.gz DKFUSOJBCPACCS-LLVKDONJSA-N 2 0 279.344 -0.185 20 0 CBADRP CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971096 810980522 /nfs/dbraw/zinc/98/05/22/810980522.db2.gz AMCFVGODDGYRRH-NWDGAFQWSA-N 2 0 269.389 -0.101 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099974665 810981720 /nfs/dbraw/zinc/98/17/20/810981720.db2.gz SWPZEHSYOKTJCH-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099974667 810981817 /nfs/dbraw/zinc/98/18/17/810981817.db2.gz SWPZEHSYOKTJCH-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099973613 810982766 /nfs/dbraw/zinc/98/27/66/810982766.db2.gz GGXNJOUVKHVCJF-CHWSQXEVSA-N 2 0 287.404 -0.738 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099988091 810986163 /nfs/dbraw/zinc/98/61/63/810986163.db2.gz CATISHKSJKPTTB-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100050098 811005735 /nfs/dbraw/zinc/00/57/35/811005735.db2.gz BXHCDUGSJCXVQN-ZIAGYGMSSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100050095 811006161 /nfs/dbraw/zinc/00/61/61/811006161.db2.gz BXHCDUGSJCXVQN-KBPBESRZSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC)C[C@@H]1O ZINC001100064199 811010077 /nfs/dbraw/zinc/01/00/77/811010077.db2.gz JUMSQCIIPUXPBH-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC)C[C@@H]1O ZINC001100064197 811010383 /nfs/dbraw/zinc/01/03/83/811010383.db2.gz JUMSQCIIPUXPBH-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCCO)C[C@H]1O ZINC001100067454 811010642 /nfs/dbraw/zinc/01/06/42/811010642.db2.gz RRZZLQOURMOEBX-QWHCGFSZSA-N 2 0 287.404 -0.738 20 0 CBADRP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100077243 811014039 /nfs/dbraw/zinc/01/40/39/811014039.db2.gz ZIRWYRLZZKQGAO-QWHCGFSZSA-N 2 0 287.404 -0.738 20 0 CBADRP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001100077019 811015779 /nfs/dbraw/zinc/01/57/79/811015779.db2.gz WQQVYLZZPDMSGV-UONOGXRCSA-N 2 0 299.415 -0.474 20 0 CBADRP CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001100185550 811034119 /nfs/dbraw/zinc/03/41/19/811034119.db2.gz FKPASAPQMJGLIH-BPCQOVAHSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)[C@H](C(=O)NCC1CC([NH2+]CC(N)=O)C1)C1CC1 ZINC001100407952 811057216 /nfs/dbraw/zinc/05/72/16/811057216.db2.gz PEKMMZFUZWLTQH-OCTTZUBCSA-N 2 0 282.388 -0.704 20 0 CBADRP Cn1nncc1C[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100636693 811069528 /nfs/dbraw/zinc/06/95/28/811069528.db2.gz GHFKSNUDDSDKPH-UHFFFAOYSA-N 2 0 294.403 -0.249 20 0 CBADRP CCNC(=O)C[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637500 811071581 /nfs/dbraw/zinc/07/15/81/811071581.db2.gz UTGDQVLWPINNIH-UHFFFAOYSA-N 2 0 284.404 -0.441 20 0 CBADRP CN1CC[C@@H]([NH2+]C2CC(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001100638311 811071878 /nfs/dbraw/zinc/07/18/78/811071878.db2.gz GIZSMCYKOCSOBQ-WXRRBKDZSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100676862 811071916 /nfs/dbraw/zinc/07/19/16/811071916.db2.gz UNYRYNOAFCUSJS-VOMCLLRMSA-N 2 0 282.388 -0.560 20 0 CBADRP CC[C@@H](C(=O)NCC1CC([NH2+]CCO)C1)[NH+](C)C ZINC001100685768 811072800 /nfs/dbraw/zinc/07/28/00/811072800.db2.gz RSDVBOHDEDXFDS-MCIGGMRASA-N 2 0 257.378 -0.197 20 0 CBADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]CCO)C1 ZINC001100770720 811077592 /nfs/dbraw/zinc/07/75/92/811077592.db2.gz LMNXHZBHOFLYFY-UHFFFAOYSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+][C@H](C)C(N)=O)C1 ZINC001100769349 811078074 /nfs/dbraw/zinc/07/80/74/811078074.db2.gz GCJIQQZSIDVJDJ-VOMCLLRMSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH+](C)CCCCC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100889855 811083388 /nfs/dbraw/zinc/08/33/88/811083388.db2.gz AJYCNFUTQNOSJF-UHFFFAOYSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH+](C)CCOCC(=O)NCC1CC([NH2+]CCO)C1 ZINC001100871057 811083632 /nfs/dbraw/zinc/08/36/32/811083632.db2.gz ZNHGBJNQALBVQE-UHFFFAOYSA-N 2 0 273.377 -0.959 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC([NH2+]CCCO)C2)C1 ZINC001100981038 811089258 /nfs/dbraw/zinc/08/92/58/811089258.db2.gz RVTGRBNTYCNXCB-CPCZMJQVSA-N 2 0 269.389 -0.195 20 0 CBADRP CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001100981066 811089355 /nfs/dbraw/zinc/08/93/55/811089355.db2.gz UDFIRFWAKBPLML-CPCZMJQVSA-N 2 0 296.415 -0.441 20 0 CBADRP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@H+](CCO)C[C@@]2(C)C1 ZINC001101432776 811103527 /nfs/dbraw/zinc/10/35/27/811103527.db2.gz ZOMUFTKNDJKUQO-HIFRSBDPSA-N 2 0 299.415 -0.663 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351460 811103660 /nfs/dbraw/zinc/10/36/60/811103660.db2.gz GMHBSODSJDUAEP-JMSVASOKSA-N 2 0 296.415 -0.408 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C1CC2(CC([NH3+])C2)C1 ZINC001157324085 815424496 /nfs/dbraw/zinc/42/44/96/815424496.db2.gz QQSASOKSSOSZPZ-WAQQSHLVSA-N 2 0 296.415 -0.136 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C12CC(C1)C[NH2+]2 ZINC001157324198 815424501 /nfs/dbraw/zinc/42/45/01/815424501.db2.gz UTQCGDXBEWVGSO-QUNCOHTASA-N 2 0 268.361 -0.902 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)[NH2+]C ZINC001157323138 815423342 /nfs/dbraw/zinc/42/33/42/815423342.db2.gz AWXYRWSHRFZGEA-RYUDHWBXSA-N 2 0 286.420 -0.020 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C1CC2(C[NH2+]C2)C1 ZINC001157323551 815423576 /nfs/dbraw/zinc/42/35/76/815423576.db2.gz JWRMMSFRLFMGDE-NSHDSACASA-N 2 0 282.388 -0.654 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001157334920 815424054 /nfs/dbraw/zinc/42/40/54/815424054.db2.gz ATRCFPWVNGYBIM-MXWKQRLJSA-N 2 0 288.367 -0.706 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1[C@H]([NH3+])[C@H]2CC[C@@H]1C2 ZINC001157336944 815424835 /nfs/dbraw/zinc/42/48/35/815424835.db2.gz QPBFXEBITIKKKC-QNWJLWSRSA-N 2 0 296.415 -0.280 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC001157337889 815425385 /nfs/dbraw/zinc/42/53/85/815425385.db2.gz XWMXYPHDCIFOTN-GWCFXTLKSA-N 2 0 270.377 -0.654 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1ccc(C[NH3+])nc1 ZINC001157351795 815425769 /nfs/dbraw/zinc/42/57/69/815425769.db2.gz BCENVEGCIPBNOI-LBPRGKRZSA-N 2 0 293.371 -0.486 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001103550491 811183213 /nfs/dbraw/zinc/18/32/13/811183213.db2.gz SJRZJBQILSNHNS-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103719034 811185083 /nfs/dbraw/zinc/18/50/83/811185083.db2.gz ODZHCPABTTVROU-UPJWGTAASA-N 2 0 296.415 -0.502 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157370490 815429618 /nfs/dbraw/zinc/42/96/18/815429618.db2.gz CYCHRGGJOCBWAF-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104872407 811212949 /nfs/dbraw/zinc/21/29/49/811212949.db2.gz GIDCUJPFAIBSIN-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104938044 811213546 /nfs/dbraw/zinc/21/35/46/811213546.db2.gz NLRVYQSACWAYTI-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP CC[NH2+]Cc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105321255 811225024 /nfs/dbraw/zinc/22/50/24/811225024.db2.gz ZVZXACCETZIWBN-UHFFFAOYSA-N 2 0 280.376 -0.277 20 0 CBADRP C[C@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)[C@@H]1CCCO1 ZINC001157435655 815432450 /nfs/dbraw/zinc/43/24/50/815432450.db2.gz UNUPGLVSQQIUPY-UHTWSYAYSA-N 2 0 284.404 -0.580 20 0 CBADRP CCOC(=O)c1c[nH]nc1CNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001157439286 815433764 /nfs/dbraw/zinc/43/37/64/815433764.db2.gz COFSMALXJPNAMY-VIFPVBQESA-N 2 0 283.332 -0.731 20 0 CBADRP F[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc(N2CC[NH2+]CC2)nn1 ZINC001157446184 815433863 /nfs/dbraw/zinc/43/38/63/815433863.db2.gz XOSSKTYTZRMLQM-MNOVXSKESA-N 2 0 280.351 -0.002 20 0 CBADRP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@]2(C)CC[NH2+]C2)n[nH]1 ZINC001157440457 815434132 /nfs/dbraw/zinc/43/41/32/815434132.db2.gz XVDXQICAOHWDLN-NSHDSACASA-N 2 0 250.306 -0.056 20 0 CBADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1)[NH+](C)C ZINC001106673861 811312493 /nfs/dbraw/zinc/31/24/93/811312493.db2.gz OAPIEGHXVRJTAW-UPJWGTAASA-N 2 0 298.431 -0.243 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106627136 811313218 /nfs/dbraw/zinc/31/32/18/811313218.db2.gz UOHNVYCZOYLPNB-FRRDWIJNSA-N 2 0 298.431 -0.243 20 0 CBADRP CN1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1=O ZINC001157485900 815438036 /nfs/dbraw/zinc/43/80/36/815438036.db2.gz PXZAGXVEWOGYEN-NSHDSACASA-N 2 0 280.372 -0.839 20 0 CBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(N)=O)[C@H](C)C1 ZINC001106783478 811316759 /nfs/dbraw/zinc/31/67/59/811316759.db2.gz RGPPRWKJSXOWCL-JHJVBQTASA-N 2 0 298.431 -0.114 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106983720 811320927 /nfs/dbraw/zinc/32/09/27/811320927.db2.gz GFKLZOGTXGOASE-CHWSQXEVSA-N 2 0 296.415 -0.488 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN(C(=O)OC)CC1 ZINC001157506862 815439649 /nfs/dbraw/zinc/43/96/49/815439649.db2.gz AAXCIRVXAJHCOD-NSHDSACASA-N 2 0 286.376 -0.386 20 0 CBADRP COCC1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001157520969 815440744 /nfs/dbraw/zinc/44/07/44/815440744.db2.gz BVTZHBMHMYVZGC-LBPRGKRZSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[C@H]1F ZINC001157537068 815444069 /nfs/dbraw/zinc/44/40/69/815444069.db2.gz UTYHXIAZJHXLNH-OUAUKWLOSA-N 3 0 270.352 -0.632 20 0 CBADRP [NH3+][C@H]1CN(C(=O)c2ccc3c(n2)CC[NH2+]C3)C[C@H]1F ZINC001157560222 815445838 /nfs/dbraw/zinc/44/58/38/815445838.db2.gz QDQXLARBLNGENV-ZJUUUORDSA-N 2 0 264.304 -0.152 20 0 CBADRP CC1([NH3+])CN(C(=O)C[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)C1 ZINC001157633850 815449634 /nfs/dbraw/zinc/44/96/34/815449634.db2.gz RFFUSSMUISCVOS-MXWKQRLJSA-N 2 0 253.346 -0.439 20 0 CBADRP [NH3+]C1CCN(c2ccnc(N3C[C@@H]4C[NH2+][C@@H]4C3)n2)CC1 ZINC001157624027 815448591 /nfs/dbraw/zinc/44/85/91/815448591.db2.gz QXIXGMOOWKSNJS-CMPLNLGQSA-N 2 0 274.372 -0.188 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@H]2CCCCN2[C@H]2CC[NH2+]C2)C1 ZINC001157650921 815450397 /nfs/dbraw/zinc/45/03/97/815450397.db2.gz HLTABIRYQNITKR-NWDGAFQWSA-N 2 0 266.389 -0.238 20 0 CBADRP COC(=O)[C@@]1(F)CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001157715632 815455456 /nfs/dbraw/zinc/45/54/56/815455456.db2.gz HPXKOFOTTGIWAD-GXFFZTMASA-N 2 0 289.351 -0.054 20 0 CBADRP CC1([NH3+])CN(C(=O)c2cccnc2N2CC[NH2+]CC2)C1 ZINC001157655384 815450546 /nfs/dbraw/zinc/45/05/46/815450546.db2.gz CVQHABQQDSLGIQ-UHFFFAOYSA-N 2 0 275.356 -0.336 20 0 CBADRP CN(Cc1ncccn1)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157681429 815452831 /nfs/dbraw/zinc/45/28/31/815452831.db2.gz HQXFSGBXMOHHAN-SNVBAGLBSA-N 2 0 261.329 -0.756 20 0 CBADRP CCNC(=O)CN(C)C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001157679338 815452999 /nfs/dbraw/zinc/45/29/99/815452999.db2.gz SPWXIQVWGYLYKQ-JTQLQIEISA-N 2 0 258.366 -0.573 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC(F)(C2CC2)C1 ZINC001157704257 815453698 /nfs/dbraw/zinc/45/36/98/815453698.db2.gz WHBRXGGJRZGIEO-VIFPVBQESA-N 2 0 261.366 -0.034 20 0 CBADRP C[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCCO1 ZINC001157702868 815454048 /nfs/dbraw/zinc/45/40/48/815454048.db2.gz FDHLKYUYHJSCMI-WDEREUQCSA-N 2 0 253.346 -0.567 20 0 CBADRP C[NH+](C)C1CN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC001157689725 815454245 /nfs/dbraw/zinc/45/42/45/815454245.db2.gz XMRQBNFUXAGASN-NSHDSACASA-N 2 0 268.361 -0.901 20 0 CBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC001157715831 815455272 /nfs/dbraw/zinc/45/52/72/815455272.db2.gz IQTXHSZJUSFRAC-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP COC(=O)[C@@]1(F)CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001157714936 815455653 /nfs/dbraw/zinc/45/56/53/815455653.db2.gz AQFXBQBJKRESLJ-GZMMTYOYSA-N 2 0 293.364 -0.881 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC001157715830 815455677 /nfs/dbraw/zinc/45/56/77/815455677.db2.gz IQTXHSZJUSFRAC-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)N(C)C[C@H]1C[NH2+]CCO1 ZINC001157716686 815455756 /nfs/dbraw/zinc/45/57/56/815455756.db2.gz QNSIXAGLZALLCW-IJLUTSLNSA-N 2 0 287.404 -0.036 20 0 CBADRP [NH3+][C@@H](C(=O)N1Cc2cncnc2C1)C1CC[NH2+]CC1 ZINC001157716521 815455920 /nfs/dbraw/zinc/45/59/20/815455920.db2.gz OYWHFGSYSBNINT-GFCCVEGCSA-N 2 0 261.329 -0.354 20 0 CBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001111281164 811543922 /nfs/dbraw/zinc/54/39/22/811543922.db2.gz HPMVCDPHHCPLHX-UPJWGTAASA-N 2 0 285.388 -0.722 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001157720599 815456704 /nfs/dbraw/zinc/45/67/04/815456704.db2.gz MITNUVOOOGEWEL-QWRGUYRKSA-N 2 0 273.377 -0.424 20 0 CBADRP [NH3+][C@H](C(=O)N1CCC[C@H](F)C(=O)C1)C1CC[NH2+]CC1 ZINC001157729652 815456881 /nfs/dbraw/zinc/45/68/81/815456881.db2.gz CTSCARQBWVLJTP-JQWIXIFHSA-N 2 0 271.336 -0.157 20 0 CBADRP N[C@@]1(C(=O)N2CCC[C@@](F)(C[NH3+])CC2)CC[NH2+]C1 ZINC001157743969 815461581 /nfs/dbraw/zinc/46/15/81/815461581.db2.gz JJGWFYIDHNUPPS-RYUDHWBXSA-N 2 0 258.341 -0.643 20 0 CBADRP C[NH2+][C@H](C(=O)N1CCC[C@@](F)(C[NH3+])CC1)[C@@H](C)O ZINC001157747095 815461601 /nfs/dbraw/zinc/46/16/01/815461601.db2.gz RUFQMCKRMGKJST-SCVCMEIPSA-N 2 0 261.341 -0.365 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC(F)(F)CC[C@@H]1CO ZINC001157729669 815457996 /nfs/dbraw/zinc/45/79/96/815457996.db2.gz CWXFBGYNHSUNGW-BDAKNGLRSA-N 2 0 297.371 -0.376 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)CC1 ZINC001157730813 815459492 /nfs/dbraw/zinc/45/94/92/815459492.db2.gz PLCHXSABUUALTN-AAEUAGOBSA-N 2 0 283.351 -0.041 20 0 CBADRP [NH3+][C@H](C(=O)N1C[C@H](CO)C[C@H](F)C1)C1CC[NH2+]CC1 ZINC001157730941 815459516 /nfs/dbraw/zinc/45/95/16/815459516.db2.gz PWEIEUJTLCOBPS-USWWRNFRSA-N 2 0 273.352 -0.508 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)C2(O)CC[NH2+]CC2)CC1 ZINC001157741695 815460300 /nfs/dbraw/zinc/46/03/00/815460300.db2.gz ZZBFNQKYIDITKT-LBPRGKRZSA-N 2 0 273.352 -0.220 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@]23C[NH2+][C@@H](CO2)C3)CC1 ZINC001157741112 815460388 /nfs/dbraw/zinc/46/03/88/815460388.db2.gz STJWDCPUGOKKQK-RAIGVLPGSA-N 2 0 271.336 -0.203 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001157740886 815460434 /nfs/dbraw/zinc/46/04/34/815460434.db2.gz QPFJSCUMGFNKBH-UBHSHLNASA-N 2 0 284.379 -0.383 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157740631 815460509 /nfs/dbraw/zinc/46/05/09/815460509.db2.gz PLHFQBLRDQNFRF-GWCFXTLKSA-N 2 0 289.351 -0.054 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]2C[NH2+]C[C@@H](O)C2)CC1 ZINC001157740629 815460583 /nfs/dbraw/zinc/46/05/83/815460583.db2.gz PLGBHSGXIBLAJL-MDZLAQPJSA-N 2 0 273.352 -0.364 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157738909 815460643 /nfs/dbraw/zinc/46/06/43/815460643.db2.gz DFUASEQNBLICAP-JQWIXIFHSA-N 2 0 275.324 -0.444 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001157740331 815460733 /nfs/dbraw/zinc/46/07/33/815460733.db2.gz NMWQNAWFWFIFSO-UBHSHLNASA-N 2 0 285.363 -0.098 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)CC1 ZINC001157745236 815461391 /nfs/dbraw/zinc/46/13/91/815461391.db2.gz MWMLRFMPUNPTCK-SCVCMEIPSA-N 2 0 258.341 -0.645 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[C@@H]1[NH3+] ZINC001157799961 815468284 /nfs/dbraw/zinc/46/82/84/815468284.db2.gz VMTPGIUAHHXOIF-LDMBFOFVSA-N 2 0 253.346 -0.584 20 0 CBADRP CO[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)C1 ZINC001157810003 815468291 /nfs/dbraw/zinc/46/82/91/815468291.db2.gz ILZXGKNJMKQFFL-WISYIIOYSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H](CO)n2ccnc2)C[C@@H]1[NH3+] ZINC001157794011 815467593 /nfs/dbraw/zinc/46/75/93/815467593.db2.gz QMQCRDKMWDTZCY-OUAUKWLOSA-N 2 0 252.318 -0.388 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001157746297 815461873 /nfs/dbraw/zinc/46/18/73/815461873.db2.gz PNRYVDNUNKZHCM-NHCYSSNCSA-N 2 0 259.325 -0.754 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001157746263 815461941 /nfs/dbraw/zinc/46/19/41/815461941.db2.gz OTHJJTKDHGDQQL-OCCSQVGLSA-N 3 0 286.395 -0.007 20 0 CBADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157755082 815462820 /nfs/dbraw/zinc/46/28/20/815462820.db2.gz NMUWFOGZOIDJEO-KWBADKCTSA-N 2 0 288.367 -0.482 20 0 CBADRP [NH3+]C[C@]1(F)CCN(c2ncc3c(n2)CC[NH2+]C3)C1 ZINC001157813293 815469739 /nfs/dbraw/zinc/46/97/39/815469739.db2.gz PWMGKCVZLSBJEE-GFCCVEGCSA-N 2 0 251.309 -0.001 20 0 CBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001157841565 815470454 /nfs/dbraw/zinc/47/04/54/815470454.db2.gz HHUHMNBXWOVGIE-AGIUHOORSA-N 2 0 296.415 -0.088 20 0 CBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001157844910 815470489 /nfs/dbraw/zinc/47/04/89/815470489.db2.gz YIVDLYAJVDFKOS-KGYLQXTDSA-N 3 0 268.405 -0.101 20 0 CBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001157841930 815470824 /nfs/dbraw/zinc/47/08/24/815470824.db2.gz IXKMOKSAHKPGFM-NAWOPXAZSA-N 2 0 266.389 -0.478 20 0 CBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)CNC1CC[NH2+]CC1 ZINC001157842418 815471063 /nfs/dbraw/zinc/47/10/63/815471063.db2.gz LHBYEIUXWIDOGR-NEPJUHHUSA-N 2 0 268.405 -0.086 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C[C@@H]1[NH3+] ZINC001157800084 815468387 /nfs/dbraw/zinc/46/83/87/815468387.db2.gz WQDLIVODHNXDEO-BLFANLJRSA-N 2 0 253.346 -0.582 20 0 CBADRP C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001157856965 815474969 /nfs/dbraw/zinc/47/49/69/815474969.db2.gz YEJWMNJNSXPETI-MXWKQRLJSA-N 2 0 275.418 -0.375 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157887346 815476555 /nfs/dbraw/zinc/47/65/55/815476555.db2.gz SQOCRCVMLLNFRN-GFCCVEGCSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@]1(O)CCN(C(=O)CNC2CC[NH2+]CC2)C[C@@H]1F ZINC001157889524 815476952 /nfs/dbraw/zinc/47/69/52/815476952.db2.gz KGRSUWMKUWIJIH-WCQYABFASA-N 2 0 273.352 -0.351 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@H](CO)CC(F)(F)C1 ZINC001157900686 815477533 /nfs/dbraw/zinc/47/75/33/815477533.db2.gz PDZBKODAJAIYKH-ZJUUUORDSA-N 2 0 279.331 -0.081 20 0 CBADRP COC(=O)c1nccnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001157914551 815481738 /nfs/dbraw/zinc/48/17/38/815481738.db2.gz HVWZFOFZOBAGPR-UHFFFAOYSA-N 2 0 278.316 -0.143 20 0 CBADRP C[NH+]1CCN(C(=[NH2+])Nc2nc(Cl)ncc2C(N)=O)CC1 ZINC001157914330 815481933 /nfs/dbraw/zinc/48/19/33/815481933.db2.gz BTAZPPVEVDLVDP-UHFFFAOYSA-N 2 0 297.750 -0.177 20 0 CBADRP O=C(N1CCc2[nH]cnc2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157922770 815483013 /nfs/dbraw/zinc/48/30/13/815483013.db2.gz XKFPOXCHWSVREZ-QMTHXVAHSA-N 2 0 275.356 -0.507 20 0 CBADRP CC1(C)CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)[C@@](C)(CO)C1 ZINC001157925597 815483109 /nfs/dbraw/zinc/48/31/09/815483109.db2.gz MQBHYDPNLNUZHV-SMDDNHRTSA-N 2 0 281.400 -0.195 20 0 CBADRP COC[C@@H]1CCCCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157922444 815483145 /nfs/dbraw/zinc/48/31/45/815483145.db2.gz ODGUJKNOXMPJTK-NWDGAFQWSA-N 2 0 267.373 -0.177 20 0 CBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157934719 815487023 /nfs/dbraw/zinc/48/70/23/815487023.db2.gz NYDCADLFTXEWEZ-FRRDWIJNSA-N 2 0 297.399 -0.938 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157934556 815487037 /nfs/dbraw/zinc/48/70/37/815487037.db2.gz LVLQVAXUKHZRNG-SDDRHHMPSA-N 2 0 273.377 -0.966 20 0 CBADRP [NH3+][C@H](C(=O)N1CCNCC(F)(F)C1)C1CC[NH2+]CC1 ZINC001157946957 815491014 /nfs/dbraw/zinc/49/10/14/815491014.db2.gz QBJIOFFIMOUNII-JTQLQIEISA-N 2 0 276.331 -0.620 20 0 CBADRP CC[C@]([NH3+])(CO)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC001159742538 815591835 /nfs/dbraw/zinc/59/18/35/815591835.db2.gz ATFNXHHKLDYNNM-CYBMUJFWSA-N 2 0 265.361 -0.040 20 0 CBADRP O=C([C@H]1[NH2+]CC[C@H]1O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157971640 815493518 /nfs/dbraw/zinc/49/35/18/815493518.db2.gz DBRRQIPJLVZAKF-MCIONIFRSA-N 2 0 275.352 -0.118 20 0 CBADRP C[C@]1(O)CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001157997442 815495562 /nfs/dbraw/zinc/49/55/62/815495562.db2.gz OLERDBUAUUOCDT-AAEUAGOBSA-N 2 0 267.373 -0.156 20 0 CBADRP C[C@@]1(O)CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001157997447 815495813 /nfs/dbraw/zinc/49/58/13/815495813.db2.gz OLERDBUAUUOCDT-DGCLKSJQSA-N 2 0 267.373 -0.156 20 0 CBADRP [NH3+][C@H]1CCc2nn(-c3cncc(N4CC[NH2+]CC4)n3)cc2C1 ZINC001157990558 815496073 /nfs/dbraw/zinc/49/60/73/815496073.db2.gz UWFIUTLKXWWOIH-LBPRGKRZSA-N 2 0 299.382 -0.112 20 0 CBADRP [NH3+][C@H](C(=O)N1CCOC2(CC[NH2+]CC2)C1)C1CC[NH2+]CC1 ZINC001158076896 815502021 /nfs/dbraw/zinc/50/20/21/815502021.db2.gz PBLGHFKHEFAXEH-ZDUSSCGKSA-N 3 0 296.415 -0.706 20 0 CBADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001158083069 815503021 /nfs/dbraw/zinc/50/30/21/815503021.db2.gz UEHNGGFMPALFTE-GFCCVEGCSA-N 3 0 278.400 -0.475 20 0 CBADRP C[C@@H]1CCC[NH2+][C@@H]1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167962 815508127 /nfs/dbraw/zinc/50/81/27/815508127.db2.gz QECDDAMNFIMLRF-LPWJVIDDSA-N 2 0 267.373 -0.179 20 0 CBADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@H]1[NH2+]CC[C@H]1O)CC2 ZINC001158091344 815503819 /nfs/dbraw/zinc/50/38/19/815503819.db2.gz AWPPXCRXZNTECG-MNOVXSKESA-N 2 0 253.346 -0.561 20 0 CBADRP [NH3+]CC1CCC(C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)CC1 ZINC001158102707 815503885 /nfs/dbraw/zinc/50/38/85/815503885.db2.gz VYMWMUUGEOUOIK-KOHJWAIASA-N 2 0 294.399 -0.558 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091745 815504008 /nfs/dbraw/zinc/50/40/08/815504008.db2.gz HVANCOZGPCIVDO-WDMOLILDSA-N 2 0 280.372 -0.935 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)C1 ZINC001158091880 815504052 /nfs/dbraw/zinc/50/40/52/815504052.db2.gz JEINIJRSNJUDAR-UHIISALHSA-N 2 0 280.372 -0.935 20 0 CBADRP Cc1nc(CC[NH3+])nn1-c1cc2c(nn1)CC[NH2+]C2 ZINC001158131263 815506120 /nfs/dbraw/zinc/50/61/20/815506120.db2.gz SBPPLEZCZKQYHG-UHFFFAOYSA-N 2 0 259.317 -0.487 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750198 812156666 /nfs/dbraw/zinc/15/66/66/812156666.db2.gz CPNWYOSVIJMIQJ-CIQGVGRVSA-N 2 0 269.389 -0.245 20 0 CBADRP O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CCC[C@]12CCC[NH2+]C2 ZINC001158159826 815506951 /nfs/dbraw/zinc/50/69/51/815506951.db2.gz FWTJSMIDDWCRDY-OCCSQVGLSA-N 2 0 294.399 -0.939 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)[NH+](C)C ZINC001114853917 812164246 /nfs/dbraw/zinc/16/42/46/812164246.db2.gz HXSGVCSUYMFMIX-QNWHQSFQSA-N 2 0 269.389 -0.245 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@]12CCC[NH2+]C2 ZINC001158160546 815507178 /nfs/dbraw/zinc/50/71/78/815507178.db2.gz KSBYJQUIQGGKRI-AWEZNQCLSA-N 2 0 266.389 -0.364 20 0 CBADRP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126709 812180595 /nfs/dbraw/zinc/18/05/95/812180595.db2.gz SLTGPVRXRJDPGN-IMRBUKKESA-N 2 0 285.388 -0.743 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC001115161805 812183525 /nfs/dbraw/zinc/18/35/25/812183525.db2.gz NBNQADBZFYJMGF-PJXYFTJBSA-N 2 0 255.362 -0.633 20 0 CBADRP CN(CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC001158207942 815513640 /nfs/dbraw/zinc/51/36/40/815513640.db2.gz GLLMRDOOVLALHF-FRRDWIJNSA-N 2 0 266.389 -0.367 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170398 815509347 /nfs/dbraw/zinc/50/93/47/815509347.db2.gz YFRXSZACEZMFRK-GFCCVEGCSA-N 3 0 278.400 -0.460 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170107 815509587 /nfs/dbraw/zinc/50/95/87/815509587.db2.gz VUDSEKRSNKDFGJ-JEOXALJRSA-N 2 0 287.429 -0.173 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001158186307 815510577 /nfs/dbraw/zinc/51/05/77/815510577.db2.gz FFAGEFVLSHJAFF-AVERBVTBSA-N 2 0 278.400 -0.190 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001158185735 815510723 /nfs/dbraw/zinc/51/07/23/815510723.db2.gz BVCNCLDPFYIILH-LOJHMKGZSA-N 2 0 250.346 -0.842 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001158187490 815510896 /nfs/dbraw/zinc/51/08/96/815510896.db2.gz SBOSKLFHBTYJKZ-QDYJBQRPSA-N 2 0 252.362 -0.737 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179802 815510955 /nfs/dbraw/zinc/51/09/55/815510955.db2.gz PSXFLDAOFLCUFI-HRDYMLBCSA-N 2 0 263.288 -0.584 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158196986 815511307 /nfs/dbraw/zinc/51/13/07/815511307.db2.gz PRIDYSKXLYGXAJ-WCQYABFASA-N 2 0 296.415 -0.441 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@H]2[C@H](CC2(F)F)C1 ZINC001158192620 815511359 /nfs/dbraw/zinc/51/13/59/815511359.db2.gz AZIRTPCMMMNFMT-UTLUCORTSA-N 2 0 271.311 -0.091 20 0 CBADRP [NH3+][C@@H](Cc1cscn1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158194415 815511521 /nfs/dbraw/zinc/51/15/21/815511521.db2.gz WKVCSQNRWNXRIS-GARJFASQSA-N 2 0 266.370 -0.024 20 0 CBADRP [NH3+]C1(CC(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)CCOCC1 ZINC001158215848 815514900 /nfs/dbraw/zinc/51/49/00/815514900.db2.gz QZPDRLDJOHPFAH-WDEREUQCSA-N 2 0 253.346 -0.153 20 0 CBADRP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001158215871 815514936 /nfs/dbraw/zinc/51/49/36/815514936.db2.gz SCVQFFFBCXKXTQ-SDDRHHMPSA-N 2 0 281.356 -0.556 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC2(C1)CCCO2 ZINC001158240483 815516016 /nfs/dbraw/zinc/51/60/16/815516016.db2.gz LHYWJJLRCQNFIO-VIFPVBQESA-N 2 0 259.375 -0.603 20 0 CBADRP C[NH2+]CCC(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277528 815518041 /nfs/dbraw/zinc/51/80/41/815518041.db2.gz PNICEEQTFIVSHF-UHFFFAOYSA-N 2 0 278.360 -0.692 20 0 CBADRP O=C([C@H]1C[NH2+]C[C@H]1O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158336009 815520485 /nfs/dbraw/zinc/52/04/85/815520485.db2.gz GDHLZBVRUOUROM-BYNSBNAKSA-N 2 0 287.363 -0.336 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305311 815518468 /nfs/dbraw/zinc/51/84/68/815518468.db2.gz FJMJZMFLUSJLRK-ZDEQEGDKSA-N 2 0 296.415 -0.315 20 0 CBADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158336008 815520534 /nfs/dbraw/zinc/52/05/34/815520534.db2.gz GDHLZBVRUOUROM-BARDWOONSA-N 2 0 287.363 -0.336 20 0 CBADRP CC(C)(C)[N@@H+]1CCN[C@H](C(=O)N2C[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC001158305960 815519279 /nfs/dbraw/zinc/51/92/79/815519279.db2.gz MZCDTXSVIWMUCF-XQQFMLRXSA-N 2 0 280.416 -0.121 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NC)CC[N@@H+]1C ZINC001158336817 815520131 /nfs/dbraw/zinc/52/01/31/815520131.db2.gz AXQSBUXTQFSAJP-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001158327366 815520900 /nfs/dbraw/zinc/52/09/00/815520900.db2.gz DRROZQDEEAHRQO-BQUFFADESA-N 2 0 284.379 -0.447 20 0 CBADRP Cc1nc2c([nH]1)CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001158339251 815521317 /nfs/dbraw/zinc/52/13/17/815521317.db2.gz MSIWXSKMSJFPDD-NSHDSACASA-N 2 0 289.383 -0.546 20 0 CBADRP O=C(N1CC[C@@H]2CCO[C@H]2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158340170 815521839 /nfs/dbraw/zinc/52/18/39/815521839.db2.gz ZPLHPOSKEXRETA-GUIRCDHDSA-N 2 0 279.384 -0.177 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+][C@@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001158381167 815523154 /nfs/dbraw/zinc/52/31/54/815523154.db2.gz ZDHBGNVXUMDMSN-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC[NH2+]1 ZINC001117972423 812460279 /nfs/dbraw/zinc/46/02/79/812460279.db2.gz TXJNSDFGSUZXPJ-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NC2CC2)CC[N@@H+]1C ZINC001158420471 815527409 /nfs/dbraw/zinc/52/74/09/815527409.db2.gz FNOFBBUQMSQCHC-DGCLKSJQSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC001118037189 812463806 /nfs/dbraw/zinc/46/38/06/812463806.db2.gz ATLIBSSKVNOIJR-DMDPSCGWSA-N 2 0 296.415 -0.301 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC001118035049 812463837 /nfs/dbraw/zinc/46/38/37/812463837.db2.gz LCDJMAYTMFTOLM-GHMZBOCLSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001118035059 812463925 /nfs/dbraw/zinc/46/39/25/812463925.db2.gz LGSMBDRYNCYCEB-WOPDTQHZSA-N 2 0 284.404 -0.314 20 0 CBADRP CN(CC[NH3+])C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001118061214 812466892 /nfs/dbraw/zinc/46/68/92/812466892.db2.gz QPZJCURMBGKNIY-SECBINFHSA-N 2 0 252.322 -0.767 20 0 CBADRP O=C([C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158423115 815527826 /nfs/dbraw/zinc/52/78/26/815527826.db2.gz NGXLHMCLXFFHGQ-CKIKVBCHSA-N 2 0 265.357 -0.284 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158424672 815527885 /nfs/dbraw/zinc/52/78/85/815527885.db2.gz UBZVJBUSTSUGCT-NOHGZBONSA-N 2 0 282.388 -0.561 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCN2CCCC2=O)CC1 ZINC001118086541 812468683 /nfs/dbraw/zinc/46/86/83/812468683.db2.gz WPQXIAQRXYJIIB-AWEZNQCLSA-N 2 0 298.431 -0.803 20 0 CBADRP c1cc(N2CC[N@H+]3CC[C@@H]3C2)nnc1N1CC[NH2+]CC1 ZINC001158422659 815528430 /nfs/dbraw/zinc/52/84/30/815528430.db2.gz DFXZFQJQAYZJBR-GFCCVEGCSA-N 2 0 274.372 -0.220 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)NC[C@@H]2CCC[NH2+]2)nn1 ZINC001118140891 812477788 /nfs/dbraw/zinc/47/77/88/812477788.db2.gz KIXFAUIQFBEOAE-JTQLQIEISA-N 2 0 266.349 -0.501 20 0 CBADRP [NH3+][C@H]1CCCCN(CC(=O)N2CCC[C@H]3[NH2+]C[C@@H]32)C1=O ZINC001158424908 815528636 /nfs/dbraw/zinc/52/86/36/815528636.db2.gz URTJFFFRFXZFBQ-TUAOUCFPSA-N 2 0 280.372 -0.711 20 0 CBADRP CC[C@@]1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[NH2+]C1 ZINC001118161653 812482017 /nfs/dbraw/zinc/48/20/17/812482017.db2.gz CPVCOQSVVFVCQK-WCQYABFASA-N 2 0 255.362 -0.129 20 0 CBADRP [NH3+]C1(c2noc(CNC(=O)[C@@H]3CCC[NH2+]3)n2)CCC1 ZINC001118171860 812484741 /nfs/dbraw/zinc/48/47/41/812484741.db2.gz HYFSIIWFLJCYGB-QMMMGPOBSA-N 2 0 265.317 -0.224 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC1CC[NH2+]CC1 ZINC001118192190 812488920 /nfs/dbraw/zinc/48/89/20/812488920.db2.gz BBCMEZHQLQYGJW-NSHDSACASA-N 2 0 268.361 -0.887 20 0 CBADRP [NH3+]CCCOC1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC001118192494 812489895 /nfs/dbraw/zinc/48/98/95/812489895.db2.gz DKJUADQHBAGZTB-LBPRGKRZSA-N 2 0 285.388 -0.279 20 0 CBADRP COCCCOC1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1 ZINC001118197837 812491207 /nfs/dbraw/zinc/49/12/07/812491207.db2.gz DKZOBEVHMXZNMB-UHFFFAOYSA-N 2 0 299.415 -0.064 20 0 CBADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001118198870 812493138 /nfs/dbraw/zinc/49/31/38/812493138.db2.gz XCFKAGPOZMXEKD-LBPRGKRZSA-N 3 0 254.378 -0.521 20 0 CBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158426368 815529659 /nfs/dbraw/zinc/52/96/59/815529659.db2.gz ZCBWKYBZLXIGLN-AVGNSLFASA-N 3 0 278.400 -0.177 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001118205121 812496970 /nfs/dbraw/zinc/49/69/70/812496970.db2.gz GNIPGMYLXHGDTB-ZJUUUORDSA-N 2 0 266.349 -0.378 20 0 CBADRP COCC[NH+]1CCN(CCN2CC[NH2+]CC2)CC1 ZINC001118222750 812498972 /nfs/dbraw/zinc/49/89/72/812498972.db2.gz GAVBAGHUMLOSSL-UHFFFAOYSA-N 2 0 256.394 -0.844 20 0 CBADRP [NH3+]Cc1ccc(C(=O)NC[C@@H]2C[NH2+]CCCO2)o1 ZINC001118225580 812500195 /nfs/dbraw/zinc/50/01/95/812500195.db2.gz JXEXWJCPIFYTMY-JTQLQIEISA-N 2 0 253.302 -0.153 20 0 CBADRP CC[N@@H+]1C[C@@H](C)N(CC(=O)N2CC[NH2+]CC2)C[C@H]1C ZINC001118264122 812511559 /nfs/dbraw/zinc/51/15/59/812511559.db2.gz TTYRZWPETUNOTR-CHWSQXEVSA-N 2 0 268.405 -0.167 20 0 CBADRP CC[N@@H+]1C[C@H](C)N(CC(=O)N2CC[NH2+]CC2)C[C@@H]1C ZINC001118264125 812512112 /nfs/dbraw/zinc/51/21/12/812512112.db2.gz TTYRZWPETUNOTR-STQMWFEESA-N 2 0 268.405 -0.167 20 0 CBADRP Cn1ccnc1[C@@H]1CNCCN1C(=O)CCC[NH3+] ZINC001118270201 812513881 /nfs/dbraw/zinc/51/38/81/812513881.db2.gz XYKYKLHLNNIPHT-JTQLQIEISA-N 2 0 251.334 -0.368 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC001118276664 812517169 /nfs/dbraw/zinc/51/71/69/812517169.db2.gz AVQATIXTIIQYGD-FRRDWIJNSA-N 3 0 268.405 -0.005 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@H](N)CC[NH+](C)C)CC[N@@H+]1C ZINC001118337469 812534892 /nfs/dbraw/zinc/53/48/92/812534892.db2.gz NYVLODUUWCJIPH-GRYCIOLGSA-N 2 0 256.394 -0.136 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001118390282 812544378 /nfs/dbraw/zinc/54/43/78/812544378.db2.gz STVBAKOAQNARAF-SDDRHHMPSA-N 2 0 284.404 -0.586 20 0 CBADRP CN(CCC[NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001118482111 812554110 /nfs/dbraw/zinc/55/41/10/812554110.db2.gz IVEHTDCPBIVBDN-LLVKDONJSA-N 2 0 257.382 -0.778 20 0 CBADRP O=C(NCCC[NH2+]CCCO)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158505343 815536754 /nfs/dbraw/zinc/53/67/54/815536754.db2.gz BEOIBDWLONIOHF-STQMWFEESA-N 2 0 285.388 -0.672 20 0 CBADRP O=C(NCCC[NH2+]CCCO)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158505342 815536817 /nfs/dbraw/zinc/53/68/17/815536817.db2.gz BEOIBDWLONIOHF-QWHCGFSZSA-N 2 0 285.388 -0.672 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001118510509 812564824 /nfs/dbraw/zinc/56/48/24/812564824.db2.gz HRMGYXUMKLALSV-NSHDSACASA-N 2 0 284.404 -0.408 20 0 CBADRP COCC[NH2+]CCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001118569660 812578961 /nfs/dbraw/zinc/57/89/61/812578961.db2.gz IVTYKZMZNPDKHR-SNVBAGLBSA-N 2 0 281.360 -0.548 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567166 815538076 /nfs/dbraw/zinc/53/80/76/815538076.db2.gz FKTJUIFUYOTHIC-MVWJERBFSA-N 2 0 295.362 -0.185 20 0 CBADRP [NH3+]CCNCC(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158579735 815539153 /nfs/dbraw/zinc/53/91/53/815539153.db2.gz XGXFIRIZYTWFQI-VHSXEESVSA-N 2 0 258.341 -0.930 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158579598 815539246 /nfs/dbraw/zinc/53/92/46/815539246.db2.gz VPTWHOWDVLJGNX-TUAOUCFPSA-N 3 0 286.395 -0.022 20 0 CBADRP [NH3+]C1([C@H]2CN(C(=O)[C@H]3C[NH2+]CCN3)C[C@H]2CF)CC1 ZINC001158578108 815539407 /nfs/dbraw/zinc/53/94/07/815539407.db2.gz KJENNJXZPLPVGX-OUAUKWLOSA-N 2 0 270.352 -0.917 20 0 CBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@@H]2CF)CC1 ZINC001158577019 815539500 /nfs/dbraw/zinc/53/95/00/815539500.db2.gz FYVGKRDVBSOLBP-VLEAKVRGSA-N 2 0 271.336 -0.755 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158577809 815539649 /nfs/dbraw/zinc/53/96/49/815539649.db2.gz JFYIZWOOHWLUAL-GHMZBOCLSA-N 3 0 272.368 -0.540 20 0 CBADRP N[C@]1(C(=O)N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)CC[NH2+]C1 ZINC001158579812 815539663 /nfs/dbraw/zinc/53/96/63/815539663.db2.gz YGTJCBQUPINIBE-OUJBWJOFSA-N 2 0 270.352 -0.787 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158579521 815539739 /nfs/dbraw/zinc/53/97/39/815539739.db2.gz UKOARLPRQFVLGZ-MMWGEVLESA-N 2 0 270.352 -0.932 20 0 CBADRP N[C@]1(C(=O)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)CC[NH2+]C1 ZINC001158579809 815539940 /nfs/dbraw/zinc/53/99/40/815539940.db2.gz YGTJCBQUPINIBE-GBIKHYSHSA-N 2 0 270.352 -0.787 20 0 CBADRP CO[C@@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)C[C@@H]1[NH3+] ZINC001158710279 815544510 /nfs/dbraw/zinc/54/45/10/815544510.db2.gz ASZUBVLTSCVRHN-QWHCGFSZSA-N 2 0 291.399 -0.004 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001118871602 812648623 /nfs/dbraw/zinc/64/86/23/812648623.db2.gz MHKDWSNWPTUKCJ-UTUOFQBUSA-N 2 0 282.388 -0.737 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC001118918586 812661562 /nfs/dbraw/zinc/66/15/62/812661562.db2.gz AHYPGMGXMCMOLJ-WCQYABFASA-N 2 0 296.415 -0.156 20 0 CBADRP COCC[C@@H]([NH3+])Cc1cn(C[C@H]2C[NH2+]CCO2)nn1 ZINC001118917890 812661943 /nfs/dbraw/zinc/66/19/43/812661943.db2.gz PLVMKEMQYIYNDH-ZYHUDNBSSA-N 2 0 269.349 -0.827 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001118919983 812661998 /nfs/dbraw/zinc/66/19/98/812661998.db2.gz RLOWBLMTJBYFDE-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[N@H+](C1CN(c2cc(C[NH3+])ncn2)C1)[C@H]1CCOC1 ZINC001158730888 815544727 /nfs/dbraw/zinc/54/47/27/815544727.db2.gz BYFDGQQKYHWDTB-NSHDSACASA-N 2 0 263.345 -0.155 20 0 CBADRP C[C@H]([NH3+])CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001118996606 812686674 /nfs/dbraw/zinc/68/66/74/812686674.db2.gz RDYBMJKOMRJULZ-ZDCRXTMVSA-N 2 0 254.334 -0.800 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC001119240672 812730524 /nfs/dbraw/zinc/73/05/24/812730524.db2.gz XPGLBPQCUMXADN-ZETCQYMHSA-N 2 0 261.276 -0.409 20 0 CBADRP C[C@H]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CCN4)CC[C@H]2O1 ZINC001158855180 815549571 /nfs/dbraw/zinc/54/95/71/815549571.db2.gz FNBFBWHRPCYPCU-BAYHKCFCSA-N 2 0 279.384 -0.036 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001119294891 812744007 /nfs/dbraw/zinc/74/40/07/812744007.db2.gz MOJAVNDVVMAOCV-WDEREUQCSA-N 2 0 282.388 -0.560 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001119295609 812744024 /nfs/dbraw/zinc/74/40/24/812744024.db2.gz DZGGSHFHYCSDQV-ZDUSSCGKSA-N 2 0 263.345 -0.296 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)c2ncoc2CN)CC1 ZINC001119296714 812745119 /nfs/dbraw/zinc/74/51/19/812745119.db2.gz AVJIENGITYXICB-UHFFFAOYSA-N 2 0 295.387 -0.109 20 0 CBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H](C)C[NH3+])CC2 ZINC001158890640 815550524 /nfs/dbraw/zinc/55/05/24/815550524.db2.gz JMDFIJIDEZKLFS-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC001119300722 812748836 /nfs/dbraw/zinc/74/88/36/812748836.db2.gz FEIUVNAMLOEOIU-AGIUHOORSA-N 2 0 268.405 -0.134 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NCc1cc(N)cc[nH+]1 ZINC001119322416 812754280 /nfs/dbraw/zinc/75/42/80/812754280.db2.gz PUAZCXXBELBOEE-LLVKDONJSA-N 2 0 251.334 -0.441 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCCC1 ZINC001119343882 812761756 /nfs/dbraw/zinc/76/17/56/812761756.db2.gz RJWZHSZVKHBOBR-TXEJJXNPSA-N 2 0 296.415 -0.170 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001119355456 812763860 /nfs/dbraw/zinc/76/38/60/812763860.db2.gz SHQVFYYLBBTNAO-AEJSXWLSSA-N 2 0 268.361 -0.903 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119354110 812763870 /nfs/dbraw/zinc/76/38/70/812763870.db2.gz AEHMUXPMLQAVDJ-AVGNSLFASA-N 2 0 296.415 -0.170 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119359399 812764871 /nfs/dbraw/zinc/76/48/71/812764871.db2.gz KRINIKNHUAMXSH-HAQNSBGRSA-N 2 0 284.404 -0.312 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001119355742 812765071 /nfs/dbraw/zinc/76/50/71/812765071.db2.gz YKWYEMAUPACODG-WCQYABFASA-N 2 0 255.362 -0.048 20 0 CBADRP CC(C)([NH3+])CCNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001119370933 812770117 /nfs/dbraw/zinc/77/01/17/812770117.db2.gz MFVVCCXNHLBMJB-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP Nc1cc[nH+]c(CNC(=O)C[C@@H]2C[NH2+]CCO2)c1 ZINC001119382973 812772689 /nfs/dbraw/zinc/77/26/89/812772689.db2.gz FQEWEIYVJLUUAY-LLVKDONJSA-N 2 0 250.302 -0.342 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC001119410342 812776696 /nfs/dbraw/zinc/77/66/96/812776696.db2.gz XQQBMLPTTBLDMT-RYUDHWBXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC001119413844 812777033 /nfs/dbraw/zinc/77/70/33/812777033.db2.gz XLXMCDATWLEXTQ-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC001119403638 812777069 /nfs/dbraw/zinc/77/70/69/812777069.db2.gz ZDGACJNBXHTHQL-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC001119403636 812777238 /nfs/dbraw/zinc/77/72/38/812777238.db2.gz ZDGACJNBXHTHQL-AVGNSLFASA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])C1 ZINC001119428421 812783317 /nfs/dbraw/zinc/78/33/17/812783317.db2.gz HXDFOZYPLJQICX-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCCO1 ZINC001119479771 812791288 /nfs/dbraw/zinc/79/12/88/812791288.db2.gz HYMWECCXUOHHEQ-AXFHLTTASA-N 2 0 256.350 -0.517 20 0 CBADRP c1cc(NC[C@@H]2COCC[NH2+]2)ncc1N1CC[NH2+]CC1 ZINC001159043727 815556199 /nfs/dbraw/zinc/55/61/99/815556199.db2.gz HYFCOSYPJPAXBW-GFCCVEGCSA-N 2 0 277.372 -0.109 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC001119544446 812804522 /nfs/dbraw/zinc/80/45/22/812804522.db2.gz BGVQXGYNQDBNFH-VXGBXAGGSA-N 2 0 296.415 -0.408 20 0 CBADRP C[NH2+]CCN(C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)C(C)C ZINC001119610717 812831898 /nfs/dbraw/zinc/83/18/98/812831898.db2.gz DMRNFKIRLOQEIH-ZDUSSCGKSA-N 2 0 298.431 -0.147 20 0 CBADRP CCOC(=O)[C@H]1C[NH2+]CCN1C[C@H]([NH3+])CC(F)F ZINC001119611527 812833191 /nfs/dbraw/zinc/83/31/91/812833191.db2.gz UUYCTWZDDLCGLU-RKDXNWHRSA-N 2 0 265.304 -0.194 20 0 CBADRP COCc1n[nH]c2c1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001159091863 815558893 /nfs/dbraw/zinc/55/88/93/815558893.db2.gz VNAKSCMMKAZBTH-VIFPVBQESA-N 2 0 299.400 -0.583 20 0 CBADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)C2([NH3+])CC2)C1 ZINC001159133929 815560631 /nfs/dbraw/zinc/56/06/31/815560631.db2.gz LDELYYGEKRQIPF-LLVKDONJSA-N 2 0 277.372 -0.106 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001159132632 815560992 /nfs/dbraw/zinc/56/09/92/815560992.db2.gz BWQLEJVFIQGKMR-MNOVXSKESA-N 2 0 265.361 -0.250 20 0 CBADRP [NH3+]C1CCN(c2ccnc(NC[C@H]3COCC[NH2+]3)n2)CC1 ZINC001159044356 815556259 /nfs/dbraw/zinc/55/62/59/815556259.db2.gz VNUKRLBQIBTMDR-LBPRGKRZSA-N 2 0 292.387 -0.196 20 0 CBADRP Cc1cnc(NC[C@H]2COCC[NH2+]2)nc1C1C[NH2+]C1 ZINC001159050006 815557824 /nfs/dbraw/zinc/55/78/24/815557824.db2.gz YHOGXNBBLADGIG-NSHDSACASA-N 2 0 263.345 -0.128 20 0 CBADRP Cn1nccc1[C@H](O)CNC[C@H](O)C[N@H+](C)C1CC1 ZINC001120277603 812946149 /nfs/dbraw/zinc/94/61/49/812946149.db2.gz KNXNSMJSFAVLTJ-WCQYABFASA-N 2 0 268.361 -0.502 20 0 CBADRP Cc1cc(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)nn1C ZINC001120380752 812956707 /nfs/dbraw/zinc/95/67/07/812956707.db2.gz YFTBXFNQTJRNHV-HNNXBMFYSA-N 2 0 295.431 -0.531 20 0 CBADRP [NH3+]C[C@@H]1CCN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)C1 ZINC001120452886 812969086 /nfs/dbraw/zinc/96/90/86/812969086.db2.gz NGEBKIDQLICTNH-JTQLQIEISA-N 2 0 266.345 -0.308 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001120455959 812969905 /nfs/dbraw/zinc/96/99/05/812969905.db2.gz NWNBAGFFGGLNCS-WGBDABJCSA-N 2 0 255.362 -0.315 20 0 CBADRP O=C([C@H]1[NH2+]CC12CCOCC2)N1CCC[NH2+]CC1 ZINC001120454616 812969977 /nfs/dbraw/zinc/96/99/77/812969977.db2.gz YSXZMYBDQNDGPG-LLVKDONJSA-N 2 0 253.346 -0.423 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC001120457110 812970306 /nfs/dbraw/zinc/97/03/06/812970306.db2.gz YUCKDNCGZMOQPL-NQBHXWOUSA-N 2 0 255.362 -0.313 20 0 CBADRP O=C([C@H]1CC[NH2+]1)N1CC[NH2+]CCC12CCOCC2 ZINC001120465931 812970848 /nfs/dbraw/zinc/97/08/48/812970848.db2.gz WNTGQRMMJGNHHY-LLVKDONJSA-N 2 0 253.346 -0.281 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291205 815567041 /nfs/dbraw/zinc/56/70/41/815567041.db2.gz MHDRQSBEVSQLOJ-CYBMUJFWSA-N 3 0 280.416 -0.003 20 0 CBADRP Cn1cnc(CCC[NH2+]C[C@H](O)C[NH+]2CCCC2)n1 ZINC001120519169 812980762 /nfs/dbraw/zinc/98/07/62/812980762.db2.gz CWWCTCDNZJNXKY-LBPRGKRZSA-N 2 0 267.377 -0.206 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001120523621 812982489 /nfs/dbraw/zinc/98/24/89/812982489.db2.gz KQHIYVPTQIUHTG-SRVKXCTJSA-N 2 0 294.399 -0.560 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001120528654 812983102 /nfs/dbraw/zinc/98/31/02/812983102.db2.gz SCYMRGIZKNRTHO-GFCCVEGCSA-N 2 0 298.431 -0.194 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)NC[C@H](C)[NH+](C)C ZINC001120536882 812985751 /nfs/dbraw/zinc/98/57/51/812985751.db2.gz RNGYQMXZGSQDIQ-WDEREUQCSA-N 2 0 258.366 -0.434 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)NCCN2CC[NH2+]CC2)C1 ZINC001120538190 812985860 /nfs/dbraw/zinc/98/58/60/812985860.db2.gz MIRRDCKZBBVBLL-LBPRGKRZSA-N 2 0 269.393 -0.728 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)NCCN2CC[NH2+]CC2)C1 ZINC001120538195 812986011 /nfs/dbraw/zinc/98/60/11/812986011.db2.gz MLLZNYPFUROYDW-NSHDSACASA-N 2 0 255.366 -0.976 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291170 815567668 /nfs/dbraw/zinc/56/76/68/815567668.db2.gz LUYKSIQJRLBVPM-STQMWFEESA-N 2 0 278.400 -0.523 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC001120545492 812987757 /nfs/dbraw/zinc/98/77/57/812987757.db2.gz IFMBKBABENIGEG-DCAQKATOSA-N 2 0 256.350 -0.599 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)NCC1=CC[NH2+]CC1 ZINC001120543749 812987967 /nfs/dbraw/zinc/98/79/67/812987967.db2.gz GVJRESNYEJDWIR-LBPRGKRZSA-N 2 0 268.361 -0.464 20 0 CBADRP [NH3+]C[C@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CC1 ZINC001120543306 812988148 /nfs/dbraw/zinc/98/81/48/812988148.db2.gz XTVYIOZHHWESMW-TUAOUCFPSA-N 2 0 252.362 -0.025 20 0 CBADRP [NH3+]Cc1nc(CC(=O)N[C@H](C[NH3+])C2CC2)cs1 ZINC001120546839 812988893 /nfs/dbraw/zinc/98/88/93/812988893.db2.gz UARUAAPMBAVSHZ-SECBINFHSA-N 2 0 254.359 -0.002 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@H](CC[NH3+])C1 ZINC001120550469 812988977 /nfs/dbraw/zinc/98/89/77/812988977.db2.gz FSHNSUAWUPHKAL-NSHDSACASA-N 2 0 258.366 -0.397 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291303 815567814 /nfs/dbraw/zinc/56/78/14/815567814.db2.gz MWKGELBVJIYLBG-GFCCVEGCSA-N 2 0 267.373 -0.360 20 0 CBADRP O=C(NCCCCCN1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC001120564423 812991178 /nfs/dbraw/zinc/99/11/78/812991178.db2.gz HELWCQDFZDGYCJ-UHFFFAOYSA-N 2 0 283.420 -0.323 20 0 CBADRP [NH3+]CCNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001120626767 813002027 /nfs/dbraw/zinc/00/20/27/813002027.db2.gz STXTXQSNVNVKLO-UWVGGRQHSA-N 2 0 258.391 -0.176 20 0 CBADRP CCO[C@@H](CNC(=O)N[C@@H](C)CC[NH3+])C[NH+](C)C ZINC001120630508 813002423 /nfs/dbraw/zinc/00/24/23/813002423.db2.gz BYZFORWMGFGODE-QWRGUYRKSA-N 2 0 260.382 -0.010 20 0 CBADRP CCO[C@H](CNC(=O)N[C@@H](C)CC[NH3+])C[NH+](C)C ZINC001120630509 813003151 /nfs/dbraw/zinc/00/31/51/813003151.db2.gz BYZFORWMGFGODE-WDEREUQCSA-N 2 0 260.382 -0.010 20 0 CBADRP CCO[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C1)C[NH+](C)C ZINC001120638663 813004940 /nfs/dbraw/zinc/00/49/40/813004940.db2.gz RSFCJWAKNJUCCH-MNOVXSKESA-N 2 0 258.366 -0.386 20 0 CBADRP CCO[C@@H](CNC(=O)N(C)[C@@H](C)C[NH3+])C[NH+](C)C ZINC001120651091 813006948 /nfs/dbraw/zinc/00/69/48/813006948.db2.gz OKMBWZDFUGMZQK-QWRGUYRKSA-N 2 0 260.382 -0.058 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001120659663 813007614 /nfs/dbraw/zinc/00/76/14/813007614.db2.gz NHIWEOVACURULQ-XYPYZODXSA-N 2 0 258.366 -0.399 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001159334328 815570083 /nfs/dbraw/zinc/57/00/83/815570083.db2.gz CJIDGRTVRMFSAV-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP [NH3+]CCOCCOCCNc1cc2c(nn1)CC[NH2+]C2 ZINC001159445258 815573611 /nfs/dbraw/zinc/57/36/11/815573611.db2.gz HZEAFNCIEIIRTB-UHFFFAOYSA-N 2 0 281.360 -0.474 20 0 CBADRP C[N@H+](CCNC(=O)[C@@H]1[NH2+]CC12CCOCC2)C1CC1 ZINC001121828181 813078152 /nfs/dbraw/zinc/07/81/52/813078152.db2.gz CVMUFHZMSWEHOX-LBPRGKRZSA-N 2 0 267.373 -0.035 20 0 CBADRP C[N@H+](CCNC(=O)[C@H]1[NH2+]CC12CCOCC2)C1CC1 ZINC001121828180 813078207 /nfs/dbraw/zinc/07/82/07/813078207.db2.gz CVMUFHZMSWEHOX-GFCCVEGCSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC[NH2+]1 ZINC001121896535 813085636 /nfs/dbraw/zinc/08/56/36/813085636.db2.gz INEOSWXDIPMXHN-WOPDTQHZSA-N 2 0 252.362 -0.805 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC(C[NH2+]C)CC1 ZINC001121896136 813086878 /nfs/dbraw/zinc/08/68/78/813086878.db2.gz GHJAWZOZJLKBHM-JQWIXIFHSA-N 2 0 257.378 -0.339 20 0 CBADRP CC(C)C[NH+]1CCC(NC(=O)C[C@H](O)C[NH3+])CC1 ZINC001121907502 813087768 /nfs/dbraw/zinc/08/77/68/813087768.db2.gz ZZQWAPJINWPSNR-LBPRGKRZSA-N 2 0 257.378 -0.067 20 0 CBADRP C[C@H](CNC(=O)CNCC[NH3+])C[NH+]1CCCCC1 ZINC001121911240 813088887 /nfs/dbraw/zinc/08/88/87/813088887.db2.gz RNGQPNZOMJTHRM-GFCCVEGCSA-N 2 0 256.394 -0.227 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001121909000 813089135 /nfs/dbraw/zinc/08/91/35/813089135.db2.gz HPEZRBLRKOQRAC-LBPRGKRZSA-N 2 0 255.362 -0.313 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH2+]CCN1C ZINC001121917314 813089428 /nfs/dbraw/zinc/08/94/28/813089428.db2.gz QYDDWUICTVCPRN-CHWSQXEVSA-N 2 0 268.405 -0.119 20 0 CBADRP C[N@H+](CCNC(=O)CNCC[NH3+])Cc1ccc(F)cc1 ZINC001121925967 813089970 /nfs/dbraw/zinc/08/99/70/813089970.db2.gz HKKOLNNXGVLCSN-UHFFFAOYSA-N 2 0 282.363 -0.078 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001121939195 813092784 /nfs/dbraw/zinc/09/27/84/813092784.db2.gz FZHWVMXNXVJFSQ-UPBCOZELSA-N 2 0 264.329 -0.781 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)CNCC[NH3+])c1ccccc1 ZINC001121975357 813099276 /nfs/dbraw/zinc/09/92/76/813099276.db2.gz QYCBOHVHWSDWGE-CYBMUJFWSA-N 2 0 264.373 -0.046 20 0 CBADRP C[NH2+]CCCN(C)C(=O)c1cnn2cc(CC[NH3+])cnc12 ZINC001121991947 813101191 /nfs/dbraw/zinc/10/11/91/813101191.db2.gz FGZYGHHFABCDEC-UHFFFAOYSA-N 2 0 290.371 -0.088 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1C[NH2+]CCC12CCC2 ZINC001121987824 813101902 /nfs/dbraw/zinc/10/19/02/813101902.db2.gz BIXIUWYJUZZAGA-NEPJUHHUSA-N 2 0 267.373 -0.129 20 0 CBADRP CN(C(=O)[C@@H]1C[NH2+]CCN1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001122009952 813104064 /nfs/dbraw/zinc/10/40/64/813104064.db2.gz HFZSDCBUTQDBHI-HNGCFSAESA-N 2 0 266.389 -0.369 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NCc1ccc(C[NH3+])cc1 ZINC001122007050 813104073 /nfs/dbraw/zinc/10/40/73/813104073.db2.gz MFGWOENKXUSNEQ-ZDUSSCGKSA-N 2 0 262.357 -0.335 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[NH2+]CCN1C ZINC001122005760 813104086 /nfs/dbraw/zinc/10/40/86/813104086.db2.gz SUVQBEGJOFDMJD-WXHSDQCUSA-N 2 0 266.389 -0.511 20 0 CBADRP C[C@]1(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C[C@H](O)C[NH2+]1 ZINC001122023276 813106287 /nfs/dbraw/zinc/10/62/87/813106287.db2.gz ZPFAGFCQDNFUSR-IACUBPJLSA-N 2 0 267.373 -0.299 20 0 CBADRP C[C@]1(C(=O)NCCC[C@@H]2CCC[NH2+]2)C[C@H](O)C[NH2+]1 ZINC001122023943 813106363 /nfs/dbraw/zinc/10/63/63/813106363.db2.gz ROCSNJIPPFBHDI-GMXVVIOVSA-N 2 0 255.362 -0.252 20 0 CBADRP C[C@]1(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C[C@@H](O)C[NH2+]1 ZINC001122023279 813106610 /nfs/dbraw/zinc/10/66/10/813106610.db2.gz ZPFAGFCQDNFUSR-MRVWCRGKSA-N 2 0 267.373 -0.299 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC001122041175 813108780 /nfs/dbraw/zinc/10/87/80/813108780.db2.gz IXIUDBFHVDLJGI-YPMHNXCESA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H](CC(=O)NCC1(O)C[NH2+]C1)C1CC[NH2+]CC1 ZINC001122055103 813110570 /nfs/dbraw/zinc/11/05/70/813110570.db2.gz FKPAAHUQOLUSNI-JTQLQIEISA-N 2 0 255.362 -0.537 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001122064407 813111520 /nfs/dbraw/zinc/11/15/20/813111520.db2.gz XQLWOQHJNAEGPS-MXWKQRLJSA-N 2 0 253.346 -0.521 20 0 CBADRP CN(C(=O)C[NH+]1CCC(CO)CC1)[C@H](C[NH3+])C1CC1 ZINC001122066895 813111950 /nfs/dbraw/zinc/11/19/50/813111950.db2.gz UALSDUDDOLLHOG-CYBMUJFWSA-N 2 0 269.389 -0.114 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC2CC1(C[NH3+])C2 ZINC001122067718 813112086 /nfs/dbraw/zinc/11/20/86/813112086.db2.gz APWSWOSQVPMVFQ-KTEZZQQRSA-N 2 0 264.373 -0.676 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC001122075779 813112978 /nfs/dbraw/zinc/11/29/78/813112978.db2.gz NPOYAOKCPJUHNK-NSHDSACASA-N 2 0 252.362 -0.756 20 0 CBADRP C[NH2+]CCc1ccccc1C(=O)NC[C@@H](O)C[NH3+] ZINC001122073374 813113075 /nfs/dbraw/zinc/11/30/75/813113075.db2.gz NLMRMTNXKSKGNY-NSHDSACASA-N 2 0 251.330 -0.502 20 0 CBADRP [NH3+]C[C@H](O)CNC(=O)c1cc2c(s1)C[NH2+]CC2 ZINC001122073301 813113127 /nfs/dbraw/zinc/11/31/27/813113127.db2.gz KVGXIYHDKQKIKR-QMMMGPOBSA-N 2 0 255.343 -0.557 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001122076761 813114283 /nfs/dbraw/zinc/11/42/83/813114283.db2.gz FJGRHVYYDVJSGD-WOPDTQHZSA-N 2 0 255.362 -0.444 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)n1 ZINC001122077120 813114395 /nfs/dbraw/zinc/11/43/95/813114395.db2.gz LLLZEHJNXVDQCF-NXEZZACHSA-N 2 0 269.324 -0.257 20 0 CBADRP Nc1cc[nH+]cc1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001122093715 813115733 /nfs/dbraw/zinc/11/57/33/813115733.db2.gz DRXVXUWNOFQMHS-JTQLQIEISA-N 2 0 264.329 -0.319 20 0 CBADRP [NH3+][C@H](CC1CC1)C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001122108196 813119154 /nfs/dbraw/zinc/11/91/54/813119154.db2.gz FHAROFYERWUVOH-BXKDBHETSA-N 2 0 252.318 -0.891 20 0 CBADRP [NH3+][C@H](CC1CC1)C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001122108202 813119199 /nfs/dbraw/zinc/11/91/99/813119199.db2.gz FHAROFYERWUVOH-SKDRFNHKSA-N 2 0 252.318 -0.891 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001122119313 813120099 /nfs/dbraw/zinc/12/00/99/813120099.db2.gz NGNYRGASCANZQV-MPPDQPJWSA-N 2 0 255.362 -0.729 20 0 CBADRP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CC[NH2+]C[C@H]1CO ZINC001122124102 813120223 /nfs/dbraw/zinc/12/02/23/813120223.db2.gz GFNAHCLGLBJBJB-GMXVVIOVSA-N 2 0 253.346 -0.831 20 0 CBADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001122143105 813123421 /nfs/dbraw/zinc/12/34/21/813123421.db2.gz HMZZLFQUDMZQQV-GHMZBOCLSA-N 2 0 255.362 -0.003 20 0 CBADRP C[C@]1(NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[NH2+]C1 ZINC001122161271 813125891 /nfs/dbraw/zinc/12/58/91/813125891.db2.gz ZPIWTGRESNQGNI-GWCFXTLKSA-N 2 0 268.361 -0.948 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001122157022 813126106 /nfs/dbraw/zinc/12/61/06/813126106.db2.gz DSKDBPFDSQGIBS-RRKCRQDMSA-N 2 0 255.240 -0.956 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC001122157288 813126173 /nfs/dbraw/zinc/12/61/73/813126173.db2.gz HUGBPIMUUJALLQ-GFCCVEGCSA-N 2 0 254.378 -0.332 20 0 CBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C[C@@]1(O)CCC[NH2+]C1)C2 ZINC001122161437 813126214 /nfs/dbraw/zinc/12/62/14/813126214.db2.gz IOQCCOBSKIYWEQ-XBFCOCLRSA-N 2 0 267.373 -0.169 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001122171158 813127000 /nfs/dbraw/zinc/12/70/00/813127000.db2.gz CXNVLFAELANBAS-OPRDCNLKSA-N 2 0 257.334 -0.476 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC001122167037 813127387 /nfs/dbraw/zinc/12/73/87/813127387.db2.gz SOERXKOQGDLNRA-HUBLWGQQSA-N 2 0 294.399 -0.558 20 0 CBADRP C[NH2+][C@@H](CNC(=O)[C@H](C[NH3+])OC)Cc1ccccc1 ZINC001122180631 813128612 /nfs/dbraw/zinc/12/86/12/813128612.db2.gz MAPMXNPYNYVPIB-OLZOCXBDSA-N 2 0 265.357 -0.093 20 0 CBADRP C[NH2+][C@H](CNC(=O)[C@H](C[NH3+])OC)Cc1ccccc1 ZINC001122180633 813129110 /nfs/dbraw/zinc/12/91/10/813129110.db2.gz MAPMXNPYNYVPIB-STQMWFEESA-N 2 0 265.357 -0.093 20 0 CBADRP O=C([C@@H]1C[NH2+]CCC1(F)F)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001122189901 813130270 /nfs/dbraw/zinc/13/02/70/813130270.db2.gz LEAKHXIPAFYYMI-GZMMTYOYSA-N 2 0 288.298 -0.773 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCCC[C@@H]1C[NH3+] ZINC001122191045 813130395 /nfs/dbraw/zinc/13/03/95/813130395.db2.gz IFJCNKVFBHLYFH-XQQFMLRXSA-N 2 0 266.389 -0.286 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[NH2+]CCC1(C)C ZINC001122191252 813130649 /nfs/dbraw/zinc/13/06/49/813130649.db2.gz VJKOFVCDYDZRNF-MNOVXSKESA-N 2 0 257.378 -0.197 20 0 CBADRP [NH3+]CC1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC(O)C1 ZINC001122194224 813131733 /nfs/dbraw/zinc/13/17/33/813131733.db2.gz QBPMFXHCXJFXPH-KMXFUREMSA-N 2 0 267.373 -0.267 20 0 CBADRP O=C([C@H]1CCC[NH2+]CC1)N1CCNCC[NH2+]CC1 ZINC001122201110 813131797 /nfs/dbraw/zinc/13/17/97/813131797.db2.gz UBWIOKKYWAKSGI-LBPRGKRZSA-N 2 0 254.378 -0.603 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC001122205579 813132822 /nfs/dbraw/zinc/13/28/22/813132822.db2.gz MJYOHHIYGOPNOJ-WCQYABFASA-N 2 0 255.362 -0.312 20 0 CBADRP O=C(CC1CC[NH2+]CC1)N1CCNCC[NH2+]CC1 ZINC001122204656 813133035 /nfs/dbraw/zinc/13/30/35/813133035.db2.gz MIVJWLDELMONGX-UHFFFAOYSA-N 2 0 254.378 -0.603 20 0 CBADRP CCC1([NH3+])CCN(C(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001122208418 813134157 /nfs/dbraw/zinc/13/41/57/813134157.db2.gz UAPFJHWUPZRTAZ-LLVKDONJSA-N 2 0 254.378 -0.380 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C[C@H]1[NH3+] ZINC001122211094 813134571 /nfs/dbraw/zinc/13/45/71/813134571.db2.gz WUTJWZUZUOVVAQ-UZWSLXQKSA-N 2 0 253.346 -0.582 20 0 CBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CNCC[NH3+] ZINC001122220940 813135305 /nfs/dbraw/zinc/13/53/05/813135305.db2.gz LKAQKZWOAWFVIB-GFCCVEGCSA-N 2 0 277.372 -0.333 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001122215874 813135562 /nfs/dbraw/zinc/13/55/62/813135562.db2.gz FLERSERADUIHRY-YNEHKIRRSA-N 2 0 267.373 -0.177 20 0 CBADRP CC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001122229109 813136232 /nfs/dbraw/zinc/13/62/32/813136232.db2.gz NPEXLWNPKREAIJ-QWRGUYRKSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)C[C@H]1CC[NH3+] ZINC001122230888 813136547 /nfs/dbraw/zinc/13/65/47/813136547.db2.gz PEYYPAZJYCTGIW-PRULPYPASA-N 2 0 255.362 -0.457 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001122237453 813137018 /nfs/dbraw/zinc/13/70/18/813137018.db2.gz ZMFBRAKHDFYJHU-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP [NH3+][C@@H](CC(=O)NCCN1CCC([NH3+])CC1)C1CC1 ZINC001122240362 813137587 /nfs/dbraw/zinc/13/75/87/813137587.db2.gz VUZISSCNKPMMKT-LBPRGKRZSA-N 2 0 254.378 -0.347 20 0 CBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001122278500 813140083 /nfs/dbraw/zinc/14/00/83/813140083.db2.gz WOJSFFUCFSNADA-ZIAGYGMSSA-N 2 0 298.431 -0.458 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCNCC[NH2+]CC1 ZINC001122287520 813140361 /nfs/dbraw/zinc/14/03/61/813140361.db2.gz DISNATOZELYSGM-NWDGAFQWSA-N 2 0 254.378 -0.475 20 0 CBADRP CC1(C)[C@H](C(=O)N2CCNCC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001122289488 813140424 /nfs/dbraw/zinc/14/04/24/813140424.db2.gz ZJRRKTTXYGWSJP-QWRGUYRKSA-N 2 0 254.378 -0.619 20 0 CBADRP O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCNCC[NH2+]CC1 ZINC001122288340 813140769 /nfs/dbraw/zinc/14/07/69/813140769.db2.gz SAEOBZJBKYJPHD-YPMHNXCESA-N 2 0 252.362 -0.993 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H](CC[NH3+])C2)CC[NH2+]C1 ZINC001122294870 813142133 /nfs/dbraw/zinc/14/21/33/813142133.db2.gz ZXBAJUZMFKPZRA-AAEUAGOBSA-N 2 0 255.362 -0.190 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001122295714 813142182 /nfs/dbraw/zinc/14/21/82/813142182.db2.gz BQLCAYXXOGJKEG-JQWIXIFHSA-N 2 0 269.389 -0.149 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C[C@H]1C[NH3+] ZINC001122301588 813143144 /nfs/dbraw/zinc/14/31/44/813143144.db2.gz HJLNZELZNHMGQV-IJLUTSLNSA-N 2 0 282.388 -0.763 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001122333430 813147967 /nfs/dbraw/zinc/14/79/67/813147967.db2.gz ZAZVMWQYWHBIRK-NEPJUHHUSA-N 2 0 255.362 -0.225 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]C[C@H]1COC ZINC001122331220 813148001 /nfs/dbraw/zinc/14/80/01/813148001.db2.gz JXLXJOOYODFMKO-SRVKXCTJSA-N 2 0 255.362 -0.179 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC001122365077 813153111 /nfs/dbraw/zinc/15/31/11/813153111.db2.gz WYTMHMDJARKNCR-OPQQBVKSSA-N 2 0 255.362 -0.132 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCN(C)CCN(C)CC2)C1 ZINC001122376769 813156077 /nfs/dbraw/zinc/15/60/77/813156077.db2.gz FOBMGZFYAZQYAL-HIFRSBDPSA-N 2 0 298.431 -0.541 20 0 CBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001122387768 813157029 /nfs/dbraw/zinc/15/70/29/813157029.db2.gz VVRSUXHSFVRJRM-MFKMUULPSA-N 2 0 267.373 -0.036 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001122387767 813157293 /nfs/dbraw/zinc/15/72/93/813157293.db2.gz VVRSUXHSFVRJRM-GXFFZTMASA-N 2 0 267.373 -0.036 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC[NH2+]C1 ZINC001122389587 813158533 /nfs/dbraw/zinc/15/85/33/813158533.db2.gz FXWPAVRCKKDDFJ-LSCVPOLPSA-N 2 0 253.346 -0.378 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C[C@@H](O)C[NH3+])C[C@@H]2C1 ZINC001122427614 813163267 /nfs/dbraw/zinc/16/32/67/813163267.db2.gz CBYVMUYHWBNZAO-YVECIDJPSA-N 2 0 269.389 -0.115 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C[C@H](O)C[NH3+])C[C@H]2C1 ZINC001122427612 813163604 /nfs/dbraw/zinc/16/36/04/813163604.db2.gz CBYVMUYHWBNZAO-LPWJVIDDSA-N 2 0 269.389 -0.115 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC001122426510 813163637 /nfs/dbraw/zinc/16/36/37/813163637.db2.gz IIOPMJNTNNFQHS-VHSXEESVSA-N 2 0 263.345 -0.122 20 0 CBADRP C[C@]1(C(=O)NC2CC3(CC([NH3+])C3)C2)C[C@@H](O)C[NH2+]1 ZINC001122434143 813164981 /nfs/dbraw/zinc/16/49/81/813164981.db2.gz KBXRJEXYMHCDDH-ZMUYEJRCSA-N 2 0 253.346 -0.515 20 0 CBADRP C[C@H](NC(=O)[C@H]([NH3+])C1CCC1)[C@H]1C[N@H+](C)CCN1C ZINC001122447756 813165543 /nfs/dbraw/zinc/16/55/43/813165543.db2.gz HZYPOPWYNFXXEW-CYZMBNFOSA-N 2 0 268.405 -0.136 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1cc(N2CCOCC2)ncn1 ZINC001159780234 815594555 /nfs/dbraw/zinc/59/45/55/815594555.db2.gz UXNYWDGHNCIBJX-SNVBAGLBSA-N 3 0 266.349 -0.251 20 0 CBADRP C[C@H]1C(=O)Nc2ncnc(N[C@@H]([NH3+])CCC[NH3+])c21 ZINC001159784883 815594574 /nfs/dbraw/zinc/59/45/74/815594574.db2.gz LOYSJEVSHTYVLT-RNFRBKRXSA-N 2 0 250.306 -0.032 20 0 CBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[NH2+]CC23CC3)CC1 ZINC001122498601 813170946 /nfs/dbraw/zinc/17/09/46/813170946.db2.gz NISQBIOJTKVOEJ-GFCCVEGCSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@@H]1C[N@H+](C)CCN1C ZINC001122540550 813174230 /nfs/dbraw/zinc/17/42/30/813174230.db2.gz FKGGQJCSDHYVGN-DYEKYZERSA-N 2 0 268.405 -0.121 20 0 CBADRP NC(=O)c1nc(Cl)cnc1N[C@H]([NH3+])CCC[NH3+] ZINC001159786754 815595960 /nfs/dbraw/zinc/59/59/60/815595960.db2.gz JCUVOOBRXCNZHO-LURJTMIESA-N 2 0 258.713 -0.336 20 0 CBADRP COC(=O)c1nc(Cl)cc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159789613 815596128 /nfs/dbraw/zinc/59/61/28/815596128.db2.gz WFLAOCZEPFMCMH-SSDOTTSWSA-N 2 0 273.724 -0.226 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@H]3COCC[NH2+]3)[C@H]2C1 ZINC001122571617 813176586 /nfs/dbraw/zinc/17/65/86/813176586.db2.gz BDEHJCMHBUVZMH-CYDGBPFRSA-N 2 0 267.373 -0.179 20 0 CBADRP NC(=O)c1nc(Cl)cnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159786755 815596390 /nfs/dbraw/zinc/59/63/90/815596390.db2.gz JCUVOOBRXCNZHO-ZCFIWIBFSA-N 2 0 258.713 -0.336 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccnc(N2CCOCC2)n1 ZINC001159786974 815596422 /nfs/dbraw/zinc/59/64/22/815596422.db2.gz OXPUHXFALPPVIX-JTQLQIEISA-N 2 0 266.349 -0.251 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC001159787091 815596515 /nfs/dbraw/zinc/59/65/15/815596515.db2.gz RCHZEVDFPKIGBA-LBPRGKRZSA-N 3 0 264.377 -0.073 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncnc2c1NC(=O)CS2 ZINC001159787895 815596757 /nfs/dbraw/zinc/59/67/57/815596757.db2.gz DFICXHLJZUAYEF-LURJTMIESA-N 2 0 268.346 -0.044 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001159786523 815596925 /nfs/dbraw/zinc/59/69/25/815596925.db2.gz CPYZKXAEWPYZPL-LBPRGKRZSA-N 3 0 292.387 -0.437 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(N)=O)C1 ZINC001159838719 815600555 /nfs/dbraw/zinc/60/05/55/815600555.db2.gz OLYDIFIGDWHDGC-QWHCGFSZSA-N 2 0 298.431 -0.066 20 0 CBADRP CN1CC[C@@H]([NH2+]CCCNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001159861340 815601495 /nfs/dbraw/zinc/60/14/95/815601495.db2.gz NCZWJDMLQCJQMI-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001123658654 813257624 /nfs/dbraw/zinc/25/76/24/813257624.db2.gz RPBYQGYOTHHJLD-FRRDWIJNSA-N 2 0 268.405 -0.169 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC(C[NH+](C)C)C1 ZINC001123893187 813288529 /nfs/dbraw/zinc/28/85/29/813288529.db2.gz JUSDLPGXWGRLJP-AAEUAGOBSA-N 2 0 266.389 -0.605 20 0 CBADRP Cn1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)cc1=O ZINC001124836261 813486257 /nfs/dbraw/zinc/48/62/57/813486257.db2.gz DUWFICGWSGQIPP-ZDUSSCGKSA-N 2 0 292.383 -0.315 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001124835486 813486678 /nfs/dbraw/zinc/48/66/78/813486678.db2.gz AETYNKAHKLQNQD-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)N1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001124867093 813488962 /nfs/dbraw/zinc/48/89/62/813488962.db2.gz RUGUWZLTCQPBSR-OLZOCXBDSA-N 2 0 296.415 -0.204 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@@H]1CCOC1 ZINC001124866355 813489525 /nfs/dbraw/zinc/48/95/25/813489525.db2.gz AUTGFAHBZNKTQE-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP CC(C)N1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001124867094 813490116 /nfs/dbraw/zinc/49/01/16/813490116.db2.gz RUGUWZLTCQPBSR-QWHCGFSZSA-N 2 0 296.415 -0.204 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001124866770 813490198 /nfs/dbraw/zinc/49/01/98/813490198.db2.gz KNGWCORGEPCMNN-GHMZBOCLSA-N 2 0 268.361 -0.983 20 0 CBADRP CCCC[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001124867406 813491255 /nfs/dbraw/zinc/49/12/55/813491255.db2.gz VNEKPCAUIWAKHI-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001124867679 813491474 /nfs/dbraw/zinc/49/14/74/813491474.db2.gz XWEZQOXXTGTCHA-CHWSQXEVSA-N 2 0 295.387 -0.956 20 0 CBADRP COc1nccc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001124873016 813491663 /nfs/dbraw/zinc/49/16/63/813491663.db2.gz RJKPBKCDTWESJD-GFCCVEGCSA-N 2 0 293.371 -0.215 20 0 CBADRP CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124872795 813491845 /nfs/dbraw/zinc/49/18/45/813491845.db2.gz MZDGGOUUNIEAJD-LBPRGKRZSA-N 2 0 294.403 -0.094 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124873304 813493464 /nfs/dbraw/zinc/49/34/64/813493464.db2.gz WEVQTAPVOGMHKL-GFCCVEGCSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001124878817 813494480 /nfs/dbraw/zinc/49/44/80/813494480.db2.gz OWJVSUCACOJRKF-VHSXEESVSA-N 2 0 256.350 -0.950 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001124878402 813495294 /nfs/dbraw/zinc/49/52/94/813495294.db2.gz LQWRHIVEWMCQAQ-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127066246 813709226 /nfs/dbraw/zinc/70/92/26/813709226.db2.gz KFFDZFSMPSRZFT-GFCCVEGCSA-N 2 0 284.404 -0.299 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256007 813721370 /nfs/dbraw/zinc/72/13/70/813721370.db2.gz LVIOJKBCDOUZHS-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP O=C(NCC[NH2+]CCOCCO)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256765 813722473 /nfs/dbraw/zinc/72/24/73/813722473.db2.gz RQAGTIAANCGMEU-KBPBESRZSA-N 2 0 299.415 -0.425 20 0 CBADRP CC(C)(C(=O)NCC[NH2+][C@@H]1CCNC1=O)[NH+]1CCCCC1 ZINC001127322433 813724137 /nfs/dbraw/zinc/72/41/37/813724137.db2.gz OQVHUFJPWGWCLA-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)N1CCC1 ZINC001127474840 813732021 /nfs/dbraw/zinc/73/20/21/813732021.db2.gz PJBPFFGWYAXSCM-ZDUSSCGKSA-N 2 0 294.399 -0.734 20 0 CBADRP O=C(NCC[NH2+]CCn1cncn1)[C@H]1C[NH+]2CCC1CC2 ZINC001127479649 813733263 /nfs/dbraw/zinc/73/32/63/813733263.db2.gz DHGLCSJUOGABKG-ZDUSSCGKSA-N 2 0 292.387 -0.674 20 0 CBADRP C[C@H](O)C[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127558921 813735210 /nfs/dbraw/zinc/73/52/10/813735210.db2.gz VMWNLMBCAIJTMM-NSHDSACASA-N 2 0 283.376 -0.855 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@@H](C)O)CC[N@@H+]1C ZINC001127701887 813741597 /nfs/dbraw/zinc/74/15/97/813741597.db2.gz ZQBAMWQLVKQDNZ-GRYCIOLGSA-N 2 0 257.378 -0.197 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)CC[N@@H+]1C ZINC001127695058 813741821 /nfs/dbraw/zinc/74/18/21/813741821.db2.gz ANPJVBJLUGFOJO-SDDRHHMPSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2ccnn2C)CC[N@@H+]1C ZINC001127685535 813742269 /nfs/dbraw/zinc/74/22/69/813742269.db2.gz RPNVWMBLRDSMSH-DGCLKSJQSA-N 2 0 279.388 -0.034 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)CC)CC[N@@H+]1C ZINC001127691050 813742455 /nfs/dbraw/zinc/74/24/55/813742455.db2.gz ZFPZCMQLMWWRKW-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP O=C(NCC[NH2+]CC1CC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127778832 813747727 /nfs/dbraw/zinc/74/77/27/813747727.db2.gz GTCFMTFIMOLDTN-CHWSQXEVSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(NCC[NH2+]CCCF)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779923 813748166 /nfs/dbraw/zinc/74/81/66/813748166.db2.gz SXQWHARXLPWCRX-NEPJUHHUSA-N 2 0 273.352 -0.085 20 0 CBADRP CCOCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127784765 813748346 /nfs/dbraw/zinc/74/83/46/813748346.db2.gz BDOCGKPHKPDWOC-ZIAGYGMSSA-N 2 0 299.415 -0.018 20 0 CBADRP O=C(NCC[NH2+]CCF)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779566 813749495 /nfs/dbraw/zinc/74/94/95/813749495.db2.gz OEWKQWQIMHKBSL-WDEREUQCSA-N 2 0 259.325 -0.475 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]C[C@H](C)O ZINC001128533755 813779754 /nfs/dbraw/zinc/77/97/54/813779754.db2.gz RHDDTQSCMRIBFU-QWRGUYRKSA-N 2 0 263.357 -0.247 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001128534675 813780169 /nfs/dbraw/zinc/78/01/69/813780169.db2.gz ZDYSLCZSOQAMFQ-LLVKDONJSA-N 2 0 290.383 -0.540 20 0 CBADRP C[NH+](C)Cc1ccsc1C(=O)NCC[NH2+]CC(N)=O ZINC001128552267 813781307 /nfs/dbraw/zinc/78/13/07/813781307.db2.gz NKWRPKWEEQFJHD-UHFFFAOYSA-N 2 0 284.385 -0.386 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001128778733 813796808 /nfs/dbraw/zinc/79/68/08/813796808.db2.gz LEJYNUOOCHKRDO-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001128783478 813799928 /nfs/dbraw/zinc/79/99/28/813799928.db2.gz HRDISQHGZFQRJI-ZDUSSCGKSA-N 2 0 294.403 -0.142 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COC ZINC001128778741 813800138 /nfs/dbraw/zinc/80/01/38/813800138.db2.gz LFRUWOYJTMBWHG-STQMWFEESA-N 2 0 287.404 -0.426 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)C1 ZINC001129328231 813836705 /nfs/dbraw/zinc/83/67/05/813836705.db2.gz NKMZSZAVRIFZBF-NWDGAFQWSA-N 2 0 284.404 -0.456 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129328403 813836874 /nfs/dbraw/zinc/83/68/74/813836874.db2.gz PIFOSJAMUOFQHN-LBPRGKRZSA-N 2 0 284.404 -0.584 20 0 CBADRP C[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364620 813839326 /nfs/dbraw/zinc/83/93/26/813839326.db2.gz YOALWYKYQMTHEQ-GXTWGEPZSA-N 2 0 299.415 -0.284 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(N)=O ZINC001129418855 813842331 /nfs/dbraw/zinc/84/23/31/813842331.db2.gz XLEKFRNPOUZAIO-DGCLKSJQSA-N 2 0 296.415 -0.027 20 0 CBADRP CN1CCC[C@@H]([NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1=O ZINC001129435908 813842969 /nfs/dbraw/zinc/84/29/69/813842969.db2.gz JWXCZUYXDVBCNL-CHWSQXEVSA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001129422725 813843388 /nfs/dbraw/zinc/84/33/88/813843388.db2.gz LHNSRPVMRUNBDN-NEPJUHHUSA-N 2 0 284.404 -0.171 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129450374 813844329 /nfs/dbraw/zinc/84/43/29/813844329.db2.gz ZMFAJXOCJCERSZ-YPMHNXCESA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CCNC(=O)C1CC1)C1CC1 ZINC001129443617 813844553 /nfs/dbraw/zinc/84/45/53/813844553.db2.gz LBQAEGYDWPXZNS-ZDUSSCGKSA-N 2 0 296.415 -0.441 20 0 CBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CCn1cccn1)C1CC1 ZINC001129443334 813844576 /nfs/dbraw/zinc/84/45/76/813844576.db2.gz IXWOSFJHQWTSAJ-ZDUSSCGKSA-N 2 0 279.388 -0.071 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001129437179 813844851 /nfs/dbraw/zinc/84/48/51/813844851.db2.gz WUYUZVCKNFDSRY-VXGBXAGGSA-N 2 0 282.388 -0.689 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1=O ZINC001129444097 813845181 /nfs/dbraw/zinc/84/51/81/813845181.db2.gz PWWYXGBZNVGEAH-VXGBXAGGSA-N 2 0 282.388 -0.737 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C)C(=O)N(C)C ZINC001129444676 813845762 /nfs/dbraw/zinc/84/57/62/813845762.db2.gz WZIUOSDNIDLEOW-CMPLNLGQSA-N 2 0 284.404 -0.491 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001129535401 813849306 /nfs/dbraw/zinc/84/93/06/813849306.db2.gz PWLJXPODUIHGGN-LLVKDONJSA-N 2 0 270.377 -0.560 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129532065 813849419 /nfs/dbraw/zinc/84/94/19/813849419.db2.gz PPCVHJYRYIRNIQ-UHFFFAOYSA-N 2 0 294.403 -0.012 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129532103 813849874 /nfs/dbraw/zinc/84/98/74/813849874.db2.gz RFNOZPFIVCPBBE-SNVBAGLBSA-N 2 0 270.377 -0.689 20 0 CBADRP CN1CCC[C@H]([NH2+]CCNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001129532357 813850219 /nfs/dbraw/zinc/85/02/19/813850219.db2.gz YZSKYYARGRGPKM-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129532102 813850841 /nfs/dbraw/zinc/85/08/41/813850841.db2.gz RFNOZPFIVCPBBE-JTQLQIEISA-N 2 0 270.377 -0.689 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001129842033 813870007 /nfs/dbraw/zinc/87/00/07/813870007.db2.gz RZAZYBZEOXHFHO-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001129842034 813871186 /nfs/dbraw/zinc/87/11/86/813871186.db2.gz RZAZYBZEOXHFHO-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129841020 813871652 /nfs/dbraw/zinc/87/16/52/813871652.db2.gz LLTHKXAPHFHRHB-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCCC1)[NH+](C)C ZINC001129946961 813882868 /nfs/dbraw/zinc/88/28/68/813882868.db2.gz BYLZAUUKGVRBOU-AWEZNQCLSA-N 2 0 298.431 -0.099 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947240 813883191 /nfs/dbraw/zinc/88/31/91/813883191.db2.gz QGFXMHLHHRMTBL-ZDUSSCGKSA-N 2 0 286.420 -0.243 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130171598 813912723 /nfs/dbraw/zinc/91/27/23/813912723.db2.gz VECMWXJYFJDNGG-CYBMUJFWSA-N 2 0 299.415 -0.425 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001130173197 813914408 /nfs/dbraw/zinc/91/44/08/813914408.db2.gz BBOWFNRNWZUGTR-GFCCVEGCSA-N 2 0 296.415 -0.168 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(C)C)[NH+](C)C ZINC001130198208 813915518 /nfs/dbraw/zinc/91/55/18/813915518.db2.gz ZVIPVNBSSCSEIX-LLVKDONJSA-N 2 0 272.393 -0.443 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CCN1C(=O)CCC1=O)[NH+](C)C ZINC001130200965 813915959 /nfs/dbraw/zinc/91/59/59/813915959.db2.gz RCUFQNAKCJORQQ-LLVKDONJSA-N 2 0 298.387 -0.819 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1)[NH+](C)C ZINC001130201016 813916166 /nfs/dbraw/zinc/91/61/66/813916166.db2.gz SLZAXURYEGMLPW-ZYHUDNBSSA-N 2 0 284.404 -0.301 20 0 CBADRP O=C(NCC[NH2+]CCOCCO)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130189103 813916550 /nfs/dbraw/zinc/91/65/50/813916550.db2.gz NFLHAQZOQIMVGX-KGLIPLIRSA-N 2 0 299.415 -0.282 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1)[NH+](C)C ZINC001130203195 813918252 /nfs/dbraw/zinc/91/82/52/813918252.db2.gz IPYIPPUWCVGGOI-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CCn1cncn1)[NH+](C)C ZINC001130205047 813919067 /nfs/dbraw/zinc/91/90/67/813919067.db2.gz FDEZZGFLGCYOHV-LLVKDONJSA-N 2 0 268.365 -0.676 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130296724 813921687 /nfs/dbraw/zinc/92/16/87/813921687.db2.gz BNIRVNZYSNWKSA-LBPRGKRZSA-N 2 0 280.376 -0.495 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130296659 813921841 /nfs/dbraw/zinc/92/18/41/813921841.db2.gz AFSDNQZWSHMQDP-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CN1CCC[C@H]([NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1=O ZINC001130300875 813924938 /nfs/dbraw/zinc/92/49/38/813924938.db2.gz WUPZLSXFSBDBJV-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC001130304022 813925212 /nfs/dbraw/zinc/92/52/12/813925212.db2.gz QLWZOJSXTNWFQR-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)NC1CC1 ZINC001130306059 813927752 /nfs/dbraw/zinc/92/77/52/813927752.db2.gz QIHYFHRLLCCUFN-DGCLKSJQSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)C(C)(C)[N@H+](C)CC)C(N)=O ZINC001130427596 813938104 /nfs/dbraw/zinc/93/81/04/813938104.db2.gz NVWWZSNYKPBROI-SNVBAGLBSA-N 2 0 272.393 -0.314 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001130421814 813938777 /nfs/dbraw/zinc/93/87/77/813938777.db2.gz KBZDBKQVXZGKNE-SNVBAGLBSA-N 2 0 270.377 -0.689 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001130421767 813939050 /nfs/dbraw/zinc/93/90/50/813939050.db2.gz IVZWUWYXFZGSTF-VIFPVBQESA-N 2 0 258.366 -0.704 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001130655941 813960747 /nfs/dbraw/zinc/96/07/47/813960747.db2.gz ATNCGFDFUMGPTA-UHFFFAOYSA-N 2 0 289.339 -0.292 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130805554 813983303 /nfs/dbraw/zinc/98/33/03/813983303.db2.gz AWOAGLVJDSDJCW-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1)C(N)=O ZINC001130874655 813989389 /nfs/dbraw/zinc/98/93/89/813989389.db2.gz IPCYQGVYLIYVLN-GFCCVEGCSA-N 2 0 289.339 -0.082 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130868045 813989802 /nfs/dbraw/zinc/98/98/02/813989802.db2.gz XQMQWUSSAXHMEA-UHFFFAOYSA-N 2 0 275.312 -0.600 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1)C(N)=O ZINC001130870400 813989844 /nfs/dbraw/zinc/98/98/44/813989844.db2.gz UNAGJXUXGWOZCK-SECBINFHSA-N 2 0 275.312 -0.473 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196692 814012349 /nfs/dbraw/zinc/01/23/49/814012349.db2.gz RRLXBDNMEIQEHY-UHFFFAOYSA-N 2 0 288.311 -0.928 20 0 CBADRP O=C(NCC[NH2+]CCn1cncn1)c1ccc2c[nH+]cn2c1 ZINC001131374453 814025309 /nfs/dbraw/zinc/02/53/09/814025309.db2.gz AWAZQINOSGXTBX-UHFFFAOYSA-N 2 0 299.338 -0.055 20 0 CBADRP COC[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131522136 814036956 /nfs/dbraw/zinc/03/69/56/814036956.db2.gz UFYDBWWEADTXPN-SDFYHXNISA-N 2 0 297.399 -0.410 20 0 CBADRP CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525784 814037395 /nfs/dbraw/zinc/03/73/95/814037395.db2.gz KCXSKIZFGHEACB-OWYJLGKBSA-N 2 0 297.399 -0.408 20 0 CBADRP CO[C@H](C)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520232 814038311 /nfs/dbraw/zinc/03/83/11/814038311.db2.gz VOGAGUHAPIEIMD-KLNSDEMFSA-N 2 0 297.399 -0.410 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790097 814069045 /nfs/dbraw/zinc/06/90/45/814069045.db2.gz GAHDSYCEXLLFAU-AWEZNQCLSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C(N)=O ZINC001131790106 814069122 /nfs/dbraw/zinc/06/91/22/814069122.db2.gz GEMZGJQLSKAEMQ-ZYHUDNBSSA-N 2 0 282.388 -0.560 20 0 CBADRP O=C(NCC[NH2+][C@@H]1CCNC1=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790542 814070289 /nfs/dbraw/zinc/07/02/89/814070289.db2.gz PCJSOJOOIKYWIY-OLZOCXBDSA-N 2 0 294.399 -0.545 20 0 CBADRP C[NH+](C)C1(CC(=O)NCC[NH2+][C@H]2CCNC2=O)CCCC1 ZINC001131836901 814073690 /nfs/dbraw/zinc/07/36/90/814073690.db2.gz GEXNOGCCOOYIMQ-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1)C(N)=O ZINC001131840815 814074110 /nfs/dbraw/zinc/07/41/10/814074110.db2.gz VQWQIYGLPCYARJ-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001132283886 814119994 /nfs/dbraw/zinc/11/99/94/814119994.db2.gz NAOMOFDDTTWJKV-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CCO ZINC001132279407 814120478 /nfs/dbraw/zinc/12/04/78/814120478.db2.gz WSQBZLGGYDHRGA-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP COCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848831 814193429 /nfs/dbraw/zinc/19/34/29/814193429.db2.gz TVBNYVDBRSDTJG-CYBMUJFWSA-N 2 0 287.404 -0.162 20 0 CBADRP COC[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132852120 814194025 /nfs/dbraw/zinc/19/40/25/814194025.db2.gz HZVONGIUVUXJTR-QWHCGFSZSA-N 2 0 287.404 -0.164 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886684 814196968 /nfs/dbraw/zinc/19/69/68/814196968.db2.gz REYZWUPCUQDBIU-TUAOUCFPSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@H](O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886682 814197305 /nfs/dbraw/zinc/19/73/05/814197305.db2.gz REYZWUPCUQDBIU-SRVKXCTJSA-N 2 0 257.378 -0.197 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132985625 814204267 /nfs/dbraw/zinc/20/42/67/814204267.db2.gz LFBJXULNADNEAG-JTQLQIEISA-N 2 0 296.371 -0.205 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CCNC(=O)C2CC2)CC1 ZINC001132995223 814207010 /nfs/dbraw/zinc/20/70/10/814207010.db2.gz OLBTXEBPCRBLMM-UHFFFAOYSA-N 2 0 296.415 -0.440 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC1CC1 ZINC001132995483 814207707 /nfs/dbraw/zinc/20/77/07/814207707.db2.gz VCZVOZBKCAHRRF-LLVKDONJSA-N 2 0 296.415 -0.299 20 0 CBADRP Cn1cc(C[NH2+]CCNC(=O)CCC[NH+](C)C)cn1 ZINC001133040622 814211509 /nfs/dbraw/zinc/21/15/09/814211509.db2.gz ZZZKFCPAMYTESC-UHFFFAOYSA-N 2 0 267.377 -0.032 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133048293 814212292 /nfs/dbraw/zinc/21/22/92/814212292.db2.gz RCMLBULOVVDJLR-JTQLQIEISA-N 2 0 258.366 -0.832 20 0 CBADRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CC(N)=O ZINC001133090319 814214622 /nfs/dbraw/zinc/21/46/22/814214622.db2.gz GFRKSYDDSFVUMD-NEPJUHHUSA-N 2 0 284.404 -0.502 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)CC[NH+](C)C)C1=O ZINC001133288522 814235745 /nfs/dbraw/zinc/23/57/45/814235745.db2.gz YTBFEJDHYOMGGV-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP Cc1ncc(C[NH2+]CCNC(=O)CC[NH+](C)C)cn1 ZINC001133287033 814236056 /nfs/dbraw/zinc/23/60/56/814236056.db2.gz CZYPXSSIWKOZRQ-UHFFFAOYSA-N 2 0 265.361 -0.057 20 0 CBADRP CN1CCC[C@H]([NH2+]CCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001133288470 814236247 /nfs/dbraw/zinc/23/62/47/814236247.db2.gz XLPMSWMYSLCQHA-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133281817 814236485 /nfs/dbraw/zinc/23/64/85/814236485.db2.gz NPNYIGKDNSTLIG-SNVBAGLBSA-N 2 0 270.377 -0.832 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001133281583 814236513 /nfs/dbraw/zinc/23/65/13/814236513.db2.gz CXVFIRUEYJTCEF-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F ZINC001133296888 814239156 /nfs/dbraw/zinc/23/91/56/814239156.db2.gz DAQWAQQAWJHGNE-SECBINFHSA-N 2 0 285.310 -0.043 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]CCOCC(F)F ZINC001133297686 814239465 /nfs/dbraw/zinc/23/94/65/814239465.db2.gz QHZRHPFIBXRQRW-UHFFFAOYSA-N 2 0 267.320 -0.074 20 0 CBADRP CCn1nnc(C)c1C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294814 814239763 /nfs/dbraw/zinc/23/97/63/814239763.db2.gz VOALFBDVCVLRNS-UHFFFAOYSA-N 2 0 282.392 -0.236 20 0 CBADRP Cn1ccc(C[NH2+]CCNC(=O)CC[NH+](C)C)cc1=O ZINC001133295013 814240298 /nfs/dbraw/zinc/24/02/98/814240298.db2.gz ZYCNVBQVPGALMO-UHFFFAOYSA-N 2 0 280.372 -0.457 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)[NH+](CC)CC ZINC001133684974 814288013 /nfs/dbraw/zinc/28/80/13/814288013.db2.gz OEJJOTWHNVQIER-MNOVXSKESA-N 2 0 272.393 -0.314 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133684094 814288445 /nfs/dbraw/zinc/28/84/45/814288445.db2.gz CSQFKCORJVQKKI-GFCCVEGCSA-N 2 0 286.420 -0.051 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)N(C)C ZINC001133819524 814300077 /nfs/dbraw/zinc/30/00/77/814300077.db2.gz FHYRYXUXEOUJDG-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)C(=O)N(C)C ZINC001133824092 814301429 /nfs/dbraw/zinc/30/14/29/814301429.db2.gz XMSHUMGTPLAAGO-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133833904 814301461 /nfs/dbraw/zinc/30/14/61/814301461.db2.gz JGGMHRZCUBLNQP-GFCCVEGCSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)C(=O)N(C)C ZINC001133824090 814302985 /nfs/dbraw/zinc/30/29/85/814302985.db2.gz XMSHUMGTPLAAGO-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C)C(N)=O ZINC001133905478 814321523 /nfs/dbraw/zinc/32/15/23/814321523.db2.gz BJLGJYZBZAOKGP-SNVBAGLBSA-N 2 0 272.393 -0.456 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001133845513 814306376 /nfs/dbraw/zinc/30/63/76/814306376.db2.gz HPYNFSAJQJATOG-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)NC1CC1 ZINC001133849639 814306449 /nfs/dbraw/zinc/30/64/49/814306449.db2.gz BDEMDBSMUUICQZ-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845575 814306711 /nfs/dbraw/zinc/30/67/11/814306711.db2.gz IWSYTKNKRRBIPI-MNOVXSKESA-N 2 0 270.377 -0.832 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845956 814307034 /nfs/dbraw/zinc/30/70/34/814307034.db2.gz QMFKTSRWTIYAFE-RYUDHWBXSA-N 2 0 273.377 -0.959 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC2CC2)C1 ZINC001133846037 814307677 /nfs/dbraw/zinc/30/76/77/814307677.db2.gz SEMVUIUGNBIVAK-NSHDSACASA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001133850374 814308055 /nfs/dbraw/zinc/30/80/55/814308055.db2.gz LOSWSKMPENXIKV-ZDUSSCGKSA-N 2 0 296.415 -0.344 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001133849731 814308429 /nfs/dbraw/zinc/30/84/29/814308429.db2.gz COWYZOGESBBCIU-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133846154 814308740 /nfs/dbraw/zinc/30/87/40/814308740.db2.gz VBYAPRJMSRRICS-LLVKDONJSA-N 2 0 270.377 -0.830 20 0 CBADRP COCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133863840 814310007 /nfs/dbraw/zinc/31/00/07/814310007.db2.gz PZJGWEGRBQMANO-NWDGAFQWSA-N 2 0 257.378 -0.074 20 0 CBADRP CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133867275 814314709 /nfs/dbraw/zinc/31/47/09/814314709.db2.gz TUYMDENOYXLFAR-NWDGAFQWSA-N 2 0 257.378 -0.074 20 0 CBADRP CCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133870429 814317506 /nfs/dbraw/zinc/31/75/06/814317506.db2.gz SZBSYMFYEQRGKZ-STQMWFEESA-N 2 0 298.431 -0.194 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133870146 814318853 /nfs/dbraw/zinc/31/88/53/814318853.db2.gz QPZPZCMCTCWMRG-RYUDHWBXSA-N 2 0 284.404 -0.586 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cnnn1C ZINC001133870436 814319030 /nfs/dbraw/zinc/31/90/30/814319030.db2.gz UAEMDSDSHKPZQQ-PWSUYJOCSA-N 2 0 280.376 -0.781 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133894041 814319547 /nfs/dbraw/zinc/31/95/47/814319547.db2.gz UHVWUQPZHBUELA-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1)C(N)=O ZINC001133896649 814319859 /nfs/dbraw/zinc/31/98/59/814319859.db2.gz MSZSTNCMESZTDN-NSHDSACASA-N 2 0 284.404 -0.312 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133896292 814320358 /nfs/dbraw/zinc/32/03/58/814320358.db2.gz HDVFWFMYHKUZRQ-GFCCVEGCSA-N 2 0 287.404 -0.569 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]CCCO)C1 ZINC001133896291 814321025 /nfs/dbraw/zinc/32/10/25/814321025.db2.gz HAMORJNGZOJMTK-UHFFFAOYSA-N 2 0 257.378 -0.194 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133899824 814321159 /nfs/dbraw/zinc/32/11/59/814321159.db2.gz ZILZTIYJHWTIAL-UHFFFAOYSA-N 2 0 286.420 -0.242 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C)C(N)=O ZINC001133908051 814322710 /nfs/dbraw/zinc/32/27/10/814322710.db2.gz FRINXHMAAMUDOS-LLVKDONJSA-N 2 0 286.420 -0.066 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC)[NH+](C)C ZINC001133966200 814330543 /nfs/dbraw/zinc/33/05/43/814330543.db2.gz XGASLICBBWZNQT-UWVGGRQHSA-N 2 0 258.366 -0.833 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)Nc1ccon1)[NH+](C)C ZINC001133968122 814331805 /nfs/dbraw/zinc/33/18/05/814331805.db2.gz OKQOBQRYWZKVBI-JTQLQIEISA-N 2 0 297.359 -0.341 20 0 CBADRP COCC[NH2+]CCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134021156 814339567 /nfs/dbraw/zinc/33/95/67/814339567.db2.gz SPJPUYHGGFLVTE-CYBMUJFWSA-N 2 0 287.404 -0.161 20 0 CBADRP C[C@@H](COCC(=O)NCC[NH2+]CCCO)[NH+]1CCCC1 ZINC001134020961 814340516 /nfs/dbraw/zinc/34/05/16/814340516.db2.gz MHRWSDQFDVDSQF-ZDUSSCGKSA-N 2 0 287.404 -0.425 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001134762557 814410549 /nfs/dbraw/zinc/41/05/49/814410549.db2.gz BUXKPYIBODBRGN-NEPJUHHUSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)C(N)=O ZINC001134756447 814411807 /nfs/dbraw/zinc/41/18/07/814411807.db2.gz FBSDQTHRCDPRRJ-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001134759534 814411835 /nfs/dbraw/zinc/41/18/35/814411835.db2.gz SARPXLFWESWGAM-GFCCVEGCSA-N 2 0 284.404 -0.299 20 0 CBADRP C[N@H+](CC(=O)N1CCC[NH+](C)CC1)[C@@H]1CCC[C@H]1O ZINC001135305875 814459945 /nfs/dbraw/zinc/45/99/45/814459945.db2.gz AHRHDTVKHDXFAZ-CHWSQXEVSA-N 2 0 269.389 -0.004 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159917078 815605020 /nfs/dbraw/zinc/60/50/20/815605020.db2.gz UJNCELVOBVQKTE-AWEZNQCLSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001159917508 815605064 /nfs/dbraw/zinc/60/50/64/815605064.db2.gz XYGOLOXAXIOGBT-NWDGAFQWSA-N 2 0 282.388 -0.689 20 0 CBADRP Cn1nnnc1C[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159993341 815605700 /nfs/dbraw/zinc/60/57/00/815605700.db2.gz YVIFQIFWVPUEKY-UHFFFAOYSA-N 2 0 295.391 -0.710 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001159930669 815605957 /nfs/dbraw/zinc/60/59/57/815605957.db2.gz VGBBJKWOXBPMHQ-GRYCIOLGSA-N 2 0 254.378 -0.430 20 0 CBADRP C[N@H+](CC(=O)NCCC[NH2+]CC(=O)N1CCC1)C1CCC1 ZINC001159992052 815606172 /nfs/dbraw/zinc/60/61/72/815606172.db2.gz GMVGPSZGNNJJDJ-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135375731 814470249 /nfs/dbraw/zinc/47/02/49/814470249.db2.gz NQXBFRSALUSPRV-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CC[NH+](C)C ZINC001135370971 814470304 /nfs/dbraw/zinc/47/03/04/814470304.db2.gz BYARFDQAAOBDTM-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001135392310 814474446 /nfs/dbraw/zinc/47/44/46/814474446.db2.gz ZKGVKIQYEDEOOG-WDEREUQCSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001160003479 815607337 /nfs/dbraw/zinc/60/73/37/815607337.db2.gz QAJHACGRJDLCSD-LBPRGKRZSA-N 2 0 284.404 -0.170 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135510621 814478701 /nfs/dbraw/zinc/47/87/01/814478701.db2.gz CIYQNDSBMIBDHO-UHFFFAOYSA-N 2 0 282.392 -0.154 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135507908 814479106 /nfs/dbraw/zinc/47/91/06/814479106.db2.gz BGJJQTGYYVNLGU-UHFFFAOYSA-N 2 0 272.393 -0.488 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001135508345 814479556 /nfs/dbraw/zinc/47/95/56/814479556.db2.gz LYIYQZQBQHULRZ-UHFFFAOYSA-N 2 0 270.377 -0.734 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]C[C@H](O)COC ZINC001135511548 814480519 /nfs/dbraw/zinc/48/05/19/814480519.db2.gz SFBHOWJTUVOXTA-NSHDSACASA-N 2 0 261.366 -0.959 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135513320 814480951 /nfs/dbraw/zinc/48/09/51/814480951.db2.gz MNDZROBGDNAYFT-LBPRGKRZSA-N 2 0 286.420 -0.051 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001135513281 814481058 /nfs/dbraw/zinc/48/10/58/814481058.db2.gz KQZQQBFWGVSGGT-GFCCVEGCSA-N 2 0 294.403 -0.187 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001135513758 814481446 /nfs/dbraw/zinc/48/14/46/814481446.db2.gz XWTJDVIZMKKBBD-UHFFFAOYSA-N 2 0 293.433 -0.531 20 0 CBADRP O=C([C@H]1[NH2+]CC[C@H]1O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155073 815610864 /nfs/dbraw/zinc/61/08/64/815610864.db2.gz DMSBXFZLQJASQQ-RQJABVFESA-N 2 0 295.383 -0.969 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]CC(N)=O ZINC001160274505 815614028 /nfs/dbraw/zinc/61/40/28/815614028.db2.gz USMCPWOUDFSJKF-LLVKDONJSA-N 2 0 270.377 -0.558 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135688448 814512205 /nfs/dbraw/zinc/51/22/05/814512205.db2.gz QMDUEIDQWNFFLT-GFCCVEGCSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001135744211 814516968 /nfs/dbraw/zinc/51/69/68/814516968.db2.gz XVNQCIVLWDKIED-GHMZBOCLSA-N 2 0 272.393 -0.314 20 0 CBADRP CC(C)[C@@H](C(=O)NCCC[NH2+][C@H](C)C(N)=O)[NH+](C)C ZINC001160427425 815619171 /nfs/dbraw/zinc/61/91/71/815619171.db2.gz RELQQBQIUPKGSD-MNOVXSKESA-N 2 0 272.393 -0.458 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC ZINC001135861224 814532225 /nfs/dbraw/zinc/53/22/25/814532225.db2.gz OBLZZGXGQIITKE-RYUDHWBXSA-N 2 0 286.420 -0.053 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001135975734 814542941 /nfs/dbraw/zinc/54/29/41/814542941.db2.gz BNZQDOZMPZJZEG-NEPJUHHUSA-N 2 0 286.420 -0.053 20 0 CBADRP Cc1[nH]c(=O)[nH]c(=O)c1CN1CC(N2CC[NH+](C)CC2)C1 ZINC001138470576 814610758 /nfs/dbraw/zinc/61/07/58/814610758.db2.gz OVKXBFGCFXQGFL-UHFFFAOYSA-N 2 0 293.371 -0.372 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cn1cccnc1=O ZINC001141963174 814676996 /nfs/dbraw/zinc/67/69/96/814676996.db2.gz WHBICPITHYEKRN-UHFFFAOYSA-N 2 0 294.359 -0.693 20 0 CBADRP Cn1ccc(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])n1 ZINC001142081657 814683511 /nfs/dbraw/zinc/68/35/11/814683511.db2.gz IFKOTTDDJRKSPF-UHFFFAOYSA-N 2 0 252.322 -0.576 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]1CC2CCN1CC2 ZINC001142634932 814726834 /nfs/dbraw/zinc/72/68/34/814726834.db2.gz CSUSAZLTMYEBPC-NSHDSACASA-N 2 0 267.377 -0.068 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H]1CC2CCN1CC2 ZINC001142634931 814727713 /nfs/dbraw/zinc/72/77/13/814727713.db2.gz CSUSAZLTMYEBPC-LLVKDONJSA-N 2 0 267.377 -0.068 20 0 CBADRP Cc1nc(N[C@@H]2C[NH2+]C[C@H]2CO)cc(N(C)C)[nH+]1 ZINC001159671643 815584312 /nfs/dbraw/zinc/58/43/12/815584312.db2.gz KDFMYGUKSJLEPD-VHSXEESVSA-N 2 0 251.334 -0.157 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CCC(N)=O ZINC001142946851 814745901 /nfs/dbraw/zinc/74/59/01/814745901.db2.gz IUIDJKHTXMQEAN-UHFFFAOYSA-N 2 0 286.420 -0.016 20 0 CBADRP CN1CC[NH+](CCC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1 ZINC001143231980 814765217 /nfs/dbraw/zinc/76/52/17/814765217.db2.gz YBPXFDINPFEJLE-OKILXGFUSA-N 2 0 280.416 -0.356 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CNC(=O)C1 ZINC001143305220 814769271 /nfs/dbraw/zinc/76/92/71/814769271.db2.gz QBDPXAPTOHBTMW-SECBINFHSA-N 2 0 269.349 -0.814 20 0 CBADRP C[NH+]1CCC(C(=O)N(CCCC[NH3+])C(N)=[NH2+])CC1 ZINC001143313969 814769394 /nfs/dbraw/zinc/76/93/94/814769394.db2.gz OGZCHTYEYFWHFY-UHFFFAOYSA-N 3 0 255.366 -0.211 20 0 CBADRP CN(CC(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2)C(N)=[NH2+] ZINC001144132051 814773310 /nfs/dbraw/zinc/77/33/10/814773310.db2.gz CFNCUMIHDSKOQS-TXEJJXNPSA-N 2 0 295.387 -0.867 20 0 CBADRP CN(CC(=O)NCc1ncn2ccccc12)C(N)=[NH2+] ZINC001144142384 814773537 /nfs/dbraw/zinc/77/35/37/814773537.db2.gz KMMSVPPUNXZWEF-UHFFFAOYSA-N 2 0 260.301 -0.224 20 0 CBADRP CN(CC(=O)NCC[C@H]1CCC[N@H+](C)C1)C(N)=[NH2+] ZINC001144144259 814773756 /nfs/dbraw/zinc/77/37/56/814773756.db2.gz VVZAWDNEEXZFHA-SNVBAGLBSA-N 2 0 255.366 -0.340 20 0 CBADRP COc1cccc(C[C@H]([NH3+])C(=O)NCC[NH2+]CCO)c1 ZINC001144942023 814778988 /nfs/dbraw/zinc/77/89/88/814778988.db2.gz SMGPPLPMINWJCC-ZDUSSCGKSA-N 2 0 281.356 -0.737 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146355697 814837509 /nfs/dbraw/zinc/83/75/09/814837509.db2.gz BJZDRXNCGWRZJM-UHFFFAOYSA-N 2 0 284.404 -0.441 20 0 CBADRP CC(C)[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)N(C)C)CC1 ZINC001146384381 814837654 /nfs/dbraw/zinc/83/76/54/814837654.db2.gz PSRZMPAGBAWZRG-UHFFFAOYSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146595036 814841364 /nfs/dbraw/zinc/84/13/64/814841364.db2.gz WORPSIKWQBGMCP-NEPJUHHUSA-N 2 0 286.420 -0.055 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N(C)C(C)C ZINC001146719999 814845772 /nfs/dbraw/zinc/84/57/72/814845772.db2.gz ZZDVIJLPDRXHGN-UHFFFAOYSA-N 2 0 286.420 -0.099 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001146719215 814846038 /nfs/dbraw/zinc/84/60/38/814846038.db2.gz LBKHMKBRWYRSJD-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ccc(=O)[nH]n1 ZINC001146990450 814862761 /nfs/dbraw/zinc/86/27/61/814862761.db2.gz OEDPMKXBTQSSSK-UHFFFAOYSA-N 2 0 280.332 -0.140 20 0 CBADRP CO[C@@H](C)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147848659 814920276 /nfs/dbraw/zinc/92/02/76/814920276.db2.gz RUVSBRUSTOIHRH-NSHDSACASA-N 2 0 261.366 -0.695 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001147826241 814918293 /nfs/dbraw/zinc/91/82/93/814918293.db2.gz SXUYEFDNZLVHSS-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147878221 814922339 /nfs/dbraw/zinc/92/23/39/814922339.db2.gz VKYXNELTLASSHE-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CCn2cccn2)C1 ZINC001147885600 814922480 /nfs/dbraw/zinc/92/24/80/814922480.db2.gz NNIWJDMKODKDDN-ZDUSSCGKSA-N 2 0 279.388 -0.069 20 0 CBADRP C[C@@H](O)CCC[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147885473 814922726 /nfs/dbraw/zinc/92/27/26/814922726.db2.gz MLNVKUDJXLPJJQ-GFCCVEGCSA-N 2 0 275.393 -0.569 20 0 CBADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001159915001 815604299 /nfs/dbraw/zinc/60/42/99/815604299.db2.gz FUQGLFMSRHBKRJ-OLZOCXBDSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C)C(N)=O ZINC001160428287 815621350 /nfs/dbraw/zinc/62/13/50/815621350.db2.gz YVLHHBYGKLGXGL-RYUDHWBXSA-N 2 0 286.420 -0.068 20 0 CBADRP C[NH2+]Cc1ccc(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)cc1 ZINC001160443107 815622335 /nfs/dbraw/zinc/62/23/35/815622335.db2.gz DTOUGVHJSGXHEK-CYBMUJFWSA-N 2 0 290.367 -0.325 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001160454260 815623539 /nfs/dbraw/zinc/62/35/39/815623539.db2.gz LCMCLNQLTDGNGL-NEPJUHHUSA-N 2 0 255.362 -0.491 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001160454478 815623571 /nfs/dbraw/zinc/62/35/71/815623571.db2.gz OBAYFYNMEAFDOU-LBPRGKRZSA-N 3 0 256.394 -0.147 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001160456270 815625398 /nfs/dbraw/zinc/62/53/98/815625398.db2.gz FJJIVNLUNNVGMO-OCCSQVGLSA-N 2 0 266.389 -0.604 20 0 CBADRP N[C@@H](C[NH3+])C(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160461303 815625448 /nfs/dbraw/zinc/62/54/48/815625448.db2.gz MSXMBGURSVGLOO-RYUDHWBXSA-N 2 0 254.378 -0.251 20 0 CBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCC2(C1)OCCO2 ZINC001160471483 815626623 /nfs/dbraw/zinc/62/66/23/815626623.db2.gz ZPXPSTOVUPVKIR-LBPRGKRZSA-N 2 0 295.383 -0.164 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCNC(=O)C1(C)C ZINC001160478128 815628046 /nfs/dbraw/zinc/62/80/46/815628046.db2.gz MTUZSNNJNDIUNN-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCNC(=O)C1(C)C ZINC001160477912 815628393 /nfs/dbraw/zinc/62/83/93/815628393.db2.gz HNWZZLKLLOSSBX-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490967 815630102 /nfs/dbraw/zinc/63/01/02/815630102.db2.gz OAKSEJDFCPHXSQ-AWEZNQCLSA-N 3 0 298.431 -0.234 20 0 CBADRP CCN(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C1CCOCC1 ZINC001160493701 815630163 /nfs/dbraw/zinc/63/01/63/815630163.db2.gz OVIXYHLNUWYSGM-LBPRGKRZSA-N 2 0 267.373 -0.177 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@H](c2cccnc2)C1 ZINC001160524392 815632268 /nfs/dbraw/zinc/63/22/68/815632268.db2.gz LNAMYHPJAIQCER-AGIUHOORSA-N 2 0 260.341 -0.056 20 0 CBADRP COC(=O)[C@H]1C[C@H](C(=O)N2CCC([NH3+])CC2)CCN1 ZINC001160513279 815632611 /nfs/dbraw/zinc/63/26/11/815632611.db2.gz ARSHTTHJQMLXBF-MWLCHTKSSA-N 2 0 269.345 -0.523 20 0 CBADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC001160515513 815632998 /nfs/dbraw/zinc/63/29/98/815632998.db2.gz KKIRKLNMXXZWOC-MNOVXSKESA-N 2 0 255.318 -0.913 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001160538320 815634053 /nfs/dbraw/zinc/63/40/53/815634053.db2.gz VXMQZOIKPFPKDL-ZDUSSCGKSA-N 2 0 296.415 -0.741 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1 ZINC001160536837 815634313 /nfs/dbraw/zinc/63/43/13/815634313.db2.gz AVAKGWCKEYLJLK-ZDUSSCGKSA-N 2 0 296.415 -0.121 20 0 CBADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)C[C@@H](O)C[NH3+] ZINC001160539026 815634512 /nfs/dbraw/zinc/63/45/12/815634512.db2.gz NQBLTRQULNZAOO-BDAKNGLRSA-N 2 0 265.317 -0.863 20 0 CBADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)C1(N)CC[NH2+]CC1 ZINC001160539319 815634638 /nfs/dbraw/zinc/63/46/38/815634638.db2.gz PUTZIJRMTBDRMO-SNVBAGLBSA-N 2 0 290.371 -0.492 20 0 CBADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001160541599 815635115 /nfs/dbraw/zinc/63/51/15/815635115.db2.gz DKVXQVIHFRXKAQ-GDPRMGEGSA-N 2 0 277.328 -0.850 20 0 CBADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001160541600 815635251 /nfs/dbraw/zinc/63/52/51/815635251.db2.gz DKVXQVIHFRXKAQ-IEBDPFPHSA-N 2 0 277.328 -0.850 20 0 CBADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)C[C@@H]1COCC[NH2+]1 ZINC001160541595 815635596 /nfs/dbraw/zinc/63/55/96/815635596.db2.gz DIYMQIAZCPHKIK-GHMZBOCLSA-N 2 0 291.355 -0.194 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C(N)=O)C1 ZINC001160548399 815636038 /nfs/dbraw/zinc/63/60/38/815636038.db2.gz FQDPAZWYQIVNQF-MNOVXSKESA-N 2 0 270.377 -0.621 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCN(c2cccnn2)CC1 ZINC001160571212 815638464 /nfs/dbraw/zinc/63/84/64/815638464.db2.gz RFJPIMUQZKPCLO-NSHDSACASA-N 2 0 278.360 -0.809 20 0 CBADRP Cn1ncc2c1CN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001160564041 815639009 /nfs/dbraw/zinc/63/90/09/815639009.db2.gz CDKKLYAHGGHJIB-LBPRGKRZSA-N 2 0 263.345 -0.411 20 0 CBADRP CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)CC1 ZINC001160578315 815639669 /nfs/dbraw/zinc/63/96/69/815639669.db2.gz VMZFRSBCSLJBPJ-MNOVXSKESA-N 2 0 254.378 -0.382 20 0 CBADRP CCOC(=O)[C@H]1CCCCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001160580762 815641330 /nfs/dbraw/zinc/64/13/30/815641330.db2.gz AKIUWYVZFHRMPX-GHMZBOCLSA-N 2 0 271.361 -0.003 20 0 CBADRP CCOC(=O)[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001160580764 815641810 /nfs/dbraw/zinc/64/18/10/815641810.db2.gz AKIUWYVZFHRMPX-QWRGUYRKSA-N 2 0 271.361 -0.003 20 0 CBADRP CCOC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CCO1 ZINC001160597111 815643552 /nfs/dbraw/zinc/64/35/52/815643552.db2.gz ZIRLNRALLWDLSC-WDEREUQCSA-N 2 0 287.360 -0.767 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[NH2+]CCN1 ZINC001160628983 815644980 /nfs/dbraw/zinc/64/49/80/815644980.db2.gz NEQQXZHUFXPETP-CQSZACIVSA-N 3 0 299.463 -0.720 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC[C@@H](CCO)C1 ZINC001160610935 815645660 /nfs/dbraw/zinc/64/56/60/815645660.db2.gz PHUVCRGSLWHRTD-QWRGUYRKSA-N 2 0 275.418 -0.373 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC[C@H](n2cncn2)C1 ZINC001160638742 815649261 /nfs/dbraw/zinc/64/92/61/815649261.db2.gz ZDCAGVRUEQNZKX-QWRGUYRKSA-N 2 0 298.416 -0.539 20 0 CBADRP C[C@H]1CC(=O)CCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160641950 815650113 /nfs/dbraw/zinc/65/01/13/815650113.db2.gz CCCLTNWHDZCDRY-WPRPVWTQSA-N 2 0 259.375 -0.414 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC(C)([NH+](C)C)C1 ZINC001160644973 815650332 /nfs/dbraw/zinc/65/03/32/815650332.db2.gz LJMSLKYTYPHOGJ-NSHDSACASA-N 3 0 256.394 -0.134 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCO1 ZINC001160643157 815650713 /nfs/dbraw/zinc/65/07/13/815650713.db2.gz AEOKYOSSQWYSTC-NWDGAFQWSA-N 3 0 282.388 -0.953 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160643660 815651060 /nfs/dbraw/zinc/65/10/60/815651060.db2.gz LOOOCFJYVUCVJG-UWVGGRQHSA-N 2 0 259.350 -0.685 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C[C@@H]1F ZINC001160648874 815651751 /nfs/dbraw/zinc/65/17/51/815651751.db2.gz GDINTKJSZAILLN-YIYPIFLZSA-N 2 0 298.406 -0.042 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[C@@H]1F ZINC001160650140 815651893 /nfs/dbraw/zinc/65/18/93/815651893.db2.gz RWBUKNAJRVOKOJ-QJPTWQEYSA-N 3 0 284.379 -0.242 20 0 CBADRP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)C1 ZINC001160653130 815653356 /nfs/dbraw/zinc/65/33/56/815653356.db2.gz VXMJCRTUUKNEFQ-WISYIIOYSA-N 2 0 285.388 -0.548 20 0 CBADRP CN(CCC1OCCO1)C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160682189 815655274 /nfs/dbraw/zinc/65/52/74/815655274.db2.gz GNROMZZIXNMKCF-JTQLQIEISA-N 2 0 259.350 -0.336 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001160688462 815656934 /nfs/dbraw/zinc/65/69/34/815656934.db2.gz PRIIEKQWWQFNSH-ZDUSSCGKSA-N 2 0 279.388 -0.156 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001160694361 815658403 /nfs/dbraw/zinc/65/84/03/815658403.db2.gz ABUMKICHHGKSRC-LIBAHTEVSA-N 2 0 275.418 -0.460 20 0 CBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001160694360 815658762 /nfs/dbraw/zinc/65/87/62/815658762.db2.gz ABUMKICHHGKSRC-LDLUMPKVSA-N 2 0 275.418 -0.460 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH2+]C[C@H]3F)C[C@H]2C1 ZINC001160703342 815660425 /nfs/dbraw/zinc/66/04/25/815660425.db2.gz BRKZPZGJCIYWSJ-WRWGMCAJSA-N 2 0 255.337 -0.046 20 0 CBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)C[C@H]1COCC[NH2+]1 ZINC001160699045 815660628 /nfs/dbraw/zinc/66/06/28/815660628.db2.gz YMNSIERBTQLHFF-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH2+]C[C@H]3F)C[C@H]2C1 ZINC001160703341 815660637 /nfs/dbraw/zinc/66/06/37/815660637.db2.gz BRKZPZGJCIYWSJ-WHOHXGKFSA-N 2 0 255.337 -0.046 20 0 CBADRP Cn1cnnc1C1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001160704148 815660844 /nfs/dbraw/zinc/66/08/44/815660844.db2.gz HOJHLUIBIKMRTJ-NSHDSACASA-N 2 0 280.376 -0.413 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC(n2cnnc2)CC1 ZINC001160718682 815663770 /nfs/dbraw/zinc/66/37/70/815663770.db2.gz QMNRPCXOGGOKSL-NSHDSACASA-N 2 0 266.349 -0.492 20 0 CBADRP COC(=O)[C@H](C)N(C)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160718137 815664033 /nfs/dbraw/zinc/66/40/33/815664033.db2.gz AYYJOFKUURHMCB-OPQQBVKSSA-N 2 0 269.345 -0.795 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCC(n2cnnc2)CC1)C1CC[NH2+]CC1 ZINC001160722669 815664072 /nfs/dbraw/zinc/66/40/72/815664072.db2.gz SADMOFNRAPWABC-CYBMUJFWSA-N 2 0 292.387 -0.232 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC001160726838 815665525 /nfs/dbraw/zinc/66/55/25/815665525.db2.gz XWWBREGXNNBUKP-AWEZNQCLSA-N 2 0 296.415 -0.073 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(n2ccnc2)CC1 ZINC001160726178 815665755 /nfs/dbraw/zinc/66/57/55/815665755.db2.gz KFJHMUPTNQXDJH-ZDUSSCGKSA-N 2 0 289.383 -0.144 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(C[C@H](F)CO2)CC1 ZINC001160786765 815671192 /nfs/dbraw/zinc/67/11/92/815671192.db2.gz IBLLWGFJIXYECC-RYUDHWBXSA-N 2 0 297.374 -0.085 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780229 815671559 /nfs/dbraw/zinc/67/15/59/815671559.db2.gz OMSVPOBXESWZSJ-FMKPAKJESA-N 2 0 289.379 -0.304 20 0 CBADRP CCOC(=O)[C@]12CN(C(=O)C3C[NH+](C)C3)C[C@H]1C[NH2+]CC2 ZINC001160806308 815673192 /nfs/dbraw/zinc/67/31/92/815673192.db2.gz ODNMGQOSAMRBCX-IUODEOHRSA-N 2 0 295.383 -0.451 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC001160837254 815675991 /nfs/dbraw/zinc/67/59/91/815675991.db2.gz GQOPZEKQCRUPEG-RYUDHWBXSA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160838627 815676150 /nfs/dbraw/zinc/67/61/50/815676150.db2.gz LAVQEFCXQFMZBT-RYUDHWBXSA-N 3 0 272.393 -0.768 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC001160837514 815676155 /nfs/dbraw/zinc/67/61/55/815676155.db2.gz AMYDUYWITNNDCS-BDAKNGLRSA-N 2 0 265.304 -0.242 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001160837920 815676500 /nfs/dbraw/zinc/67/65/00/815676500.db2.gz FVDJCVHUOJZLHD-QWHCGFSZSA-N 3 0 286.420 -0.378 20 0 CBADRP COC(=O)C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001160833922 815676616 /nfs/dbraw/zinc/67/66/16/815676616.db2.gz VFSKHMMMJMSJIK-QWRGUYRKSA-N 2 0 271.361 -0.146 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)CC)[NH+](C)C ZINC001160883172 815684209 /nfs/dbraw/zinc/68/42/09/815684209.db2.gz GGVBTIUBNULLHZ-GFCCVEGCSA-N 2 0 286.420 -0.099 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC(C)C)[NH+](C)C ZINC001160883261 815684497 /nfs/dbraw/zinc/68/44/97/815684497.db2.gz JBLLACKFOPFNJL-GFCCVEGCSA-N 2 0 286.420 -0.053 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+]C[C@H](O)COC)[NH+](C)C ZINC001160883616 815685093 /nfs/dbraw/zinc/68/50/93/815685093.db2.gz PWVUURLZKNTZIE-NWDGAFQWSA-N 2 0 275.393 -0.570 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001160883847 815685283 /nfs/dbraw/zinc/68/52/83/815685283.db2.gz WKDPVPSMOBWFNZ-VHSXEESVSA-N 2 0 258.366 -0.704 20 0 CBADRP CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]21 ZINC001160884561 815685912 /nfs/dbraw/zinc/68/59/12/815685912.db2.gz TYBLXJYLZKVJII-WHOHXGKFSA-N 2 0 283.372 -0.290 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC)[NH+](C)C ZINC001160890098 815685940 /nfs/dbraw/zinc/68/59/40/815685940.db2.gz UXQZNLCQZOXEGX-GHMZBOCLSA-N 2 0 272.393 -0.443 20 0 CBADRP O=C([C@@H]1CC[NH2+]C[C@@H]1F)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915516 815686742 /nfs/dbraw/zinc/68/67/42/815686742.db2.gz BTOHDPWUXCZOPS-MNOVXSKESA-N 2 0 279.319 -0.271 20 0 CBADRP O=C(N(CCO)CC(F)(F)F)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160909393 815686776 /nfs/dbraw/zinc/68/67/76/815686776.db2.gz VDBNBZCHUBGNPQ-MWLCHTKSSA-N 2 0 295.305 -0.431 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915819 815687480 /nfs/dbraw/zinc/68/74/80/815687480.db2.gz NPHKKYJXMIXAGT-NSHDSACASA-N 2 0 287.327 -0.926 20 0 CBADRP [NH3+][C@@H](C(=O)N(c1ncccn1)C1C[NH2+]C1)C1CC[NH2+]CC1 ZINC001160915906 815688405 /nfs/dbraw/zinc/68/84/05/815688405.db2.gz RDNXNECDBDTPKC-GFCCVEGCSA-N 3 0 290.371 -0.892 20 0 CBADRP C[C@H]1CN(C)C(=O)CN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001160941571 815689595 /nfs/dbraw/zinc/68/95/95/815689595.db2.gz MWQJDHBALCDSFL-JOYOIKCWSA-N 2 0 268.361 -0.998 20 0 CBADRP CC(C)(C)C(=O)N1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001160952200 815689608 /nfs/dbraw/zinc/68/96/08/815689608.db2.gz RDICCXHQPKDKQF-NSHDSACASA-N 2 0 284.404 -0.231 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)C2 ZINC001160962630 815690890 /nfs/dbraw/zinc/69/08/90/815690890.db2.gz FAXBFJKHDCVLKJ-MPPDQPJWSA-N 2 0 253.346 -0.881 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001160962236 815690930 /nfs/dbraw/zinc/69/09/30/815690930.db2.gz BIZIMLLIUMQWPD-MBNYWOFBSA-N 3 0 268.405 -0.147 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)C[C@@H]1COCC[NH2+]1)C2 ZINC001160964593 815691488 /nfs/dbraw/zinc/69/14/88/815691488.db2.gz QGCNNIHERVSGFX-YRGRVCCFSA-N 2 0 267.373 -0.225 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160967016 815691945 /nfs/dbraw/zinc/69/19/45/815691945.db2.gz IJMCDPJEEFLYFT-CBAPKCEASA-N 2 0 273.287 -0.526 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160972974 815693545 /nfs/dbraw/zinc/69/35/45/815693545.db2.gz UNQIFUUITFQCPN-SFYZADRCSA-N 3 0 282.360 -0.800 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999865 815693908 /nfs/dbraw/zinc/69/39/08/815693908.db2.gz MOFOFAVPTOHSDE-IJLUTSLNSA-N 2 0 267.373 -0.171 20 0 CBADRP CCC[C@H]([NH3+])C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000850 815694274 /nfs/dbraw/zinc/69/42/74/815694274.db2.gz VHDHDEFZSSVTGA-QWRGUYRKSA-N 2 0 255.362 -0.171 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161007490 815694441 /nfs/dbraw/zinc/69/44/41/815694441.db2.gz KEOQTIDOKJBKJT-RYUDHWBXSA-N 2 0 283.372 -0.920 20 0 CBADRP C[C@]1(C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)CC[NH2+]C1 ZINC001161008056 815694466 /nfs/dbraw/zinc/69/44/66/815694466.db2.gz NKGIZNGBOIIPCO-YPMHNXCESA-N 2 0 267.373 -0.299 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161008385 815694577 /nfs/dbraw/zinc/69/45/77/815694577.db2.gz NVFOFPXXVLBAHO-RYUDHWBXSA-N 2 0 281.400 -0.053 20 0 CBADRP CC1(C)[NH2+][C@H](C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)CO1 ZINC001161009546 815694675 /nfs/dbraw/zinc/69/46/75/815694675.db2.gz WSICQUMPUIZPEU-QWRGUYRKSA-N 2 0 283.372 -0.574 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[NH2+][C@H](C)C1 ZINC001161016343 815696984 /nfs/dbraw/zinc/69/69/84/815696984.db2.gz YDIDENYDZDWSGE-WOPDTQHZSA-N 2 0 284.404 -0.315 20 0 CBADRP CC(=O)[C@H]1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161039255 815701561 /nfs/dbraw/zinc/70/15/61/815701561.db2.gz OVETWOCALOWYRG-AAEUAGOBSA-N 2 0 282.388 -0.826 20 0 CBADRP CC(=O)[C@H]1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161039257 815702182 /nfs/dbraw/zinc/70/21/82/815702182.db2.gz OVETWOCALOWYRG-WCQYABFASA-N 2 0 282.388 -0.826 20 0 CBADRP CC(=O)[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161034902 815702282 /nfs/dbraw/zinc/70/22/82/815702282.db2.gz OYKFNOZSOPXCDW-MNOVXSKESA-N 2 0 251.330 -0.767 20 0 CBADRP Cn1ncc(C[NH2+]CCCNC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001161040804 815702829 /nfs/dbraw/zinc/70/28/29/815702829.db2.gz CTYGNDULAHWDNT-ZDUSSCGKSA-N 2 0 294.403 -0.105 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001161041078 815703744 /nfs/dbraw/zinc/70/37/44/815703744.db2.gz FJDKEZZDDGYIOU-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP CN(C(=O)[C@@H]1COC2(C[NH2+]C2)CN1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161058530 815704873 /nfs/dbraw/zinc/70/48/73/815704873.db2.gz XGEQWXXAJQKIGC-GRYCIOLGSA-N 2 0 282.388 -0.955 20 0 CBADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001161050496 815706036 /nfs/dbraw/zinc/70/60/36/815706036.db2.gz NRWPQQMWJMAABX-NWDGAFQWSA-N 2 0 299.419 -0.297 20 0 CBADRP CN(C(=O)[C@]12C[NH2+]C[C@@H]1CCN2)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161058225 815706070 /nfs/dbraw/zinc/70/60/70/815706070.db2.gz PXKDENBZIJLPCF-SFTQSGBHSA-N 2 0 266.389 -0.334 20 0 CBADRP CN(Cc1cncs1)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161063163 815706773 /nfs/dbraw/zinc/70/67/73/815706773.db2.gz BTNROZXCCVFFIP-GFCCVEGCSA-N 2 0 297.428 -0.148 20 0 CBADRP CN(C(=O)[C@]12C[NH2+]C[C@@H]1CCN2)C1(C)CC[NH2+]CC1 ZINC001161067741 815706829 /nfs/dbraw/zinc/70/68/29/815706829.db2.gz KXFYDMZYVBJAAN-FZMZJTMJSA-N 2 0 266.389 -0.462 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C1(C)CC[NH2+]CC1 ZINC001161072872 815707495 /nfs/dbraw/zinc/70/74/95/815707495.db2.gz HUPVOTCYZRSSPY-ZDUSSCGKSA-N 3 0 297.447 -0.663 20 0 CBADRP CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161065416 815707501 /nfs/dbraw/zinc/70/75/01/815707501.db2.gz RRRGPZCDVZTDCB-MCIONIFRSA-N 3 0 297.447 -0.535 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@]34CC[C@@H](N3)[C@H]([NH3+])C4)C[C@H]21 ZINC001161081015 815708580 /nfs/dbraw/zinc/70/85/80/815708580.db2.gz CEFSPSSNKWBEOE-HVNMYJMUSA-N 2 0 278.400 -0.239 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)C[C@H]21 ZINC001161081416 815710226 /nfs/dbraw/zinc/71/02/26/815710226.db2.gz JOIWSQSUSRNVCF-DDHJBXDOSA-N 2 0 253.346 -0.881 20 0 CBADRP Nc1nc(NCCN(CC[NH3+])N(O)N=O)cc[nH+]1 ZINC001161092099 815712921 /nfs/dbraw/zinc/71/29/21/815712921.db2.gz LDMLXDTVPAWWFK-UHFFFAOYSA-N 2 0 256.270 -0.981 20 0 CBADRP CCOC(=O)[C@@H]1COCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001161093449 815714760 /nfs/dbraw/zinc/71/47/60/815714760.db2.gz OKAWAFZFUQROSN-QWRGUYRKSA-N 2 0 287.360 -0.767 20 0 CBADRP CO[C@H](C)C1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001161145458 815721986 /nfs/dbraw/zinc/72/19/86/815721986.db2.gz DPRSEKYXTKGUJX-SCZZXKLOSA-N 2 0 261.391 -0.501 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@]1(C)CCC[NH2+]1 ZINC001161157841 815723707 /nfs/dbraw/zinc/72/37/07/815723707.db2.gz LVZFBWOKKKGYHZ-CYBMUJFWSA-N 2 0 271.361 -0.131 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]2C1 ZINC001161175433 815724141 /nfs/dbraw/zinc/72/41/41/815724141.db2.gz LWVVJMTWMXTEGI-MGPQQGTHSA-N 3 0 292.427 -0.404 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1Cc2ccnn2CC[C@H]1CO ZINC001161170600 815724666 /nfs/dbraw/zinc/72/46/66/815724666.db2.gz KNUHUXHDQXSDNA-NWDGAFQWSA-N 2 0 281.360 -0.958 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1Cc2ccnn2CC[C@@H]1CO ZINC001161170604 815725180 /nfs/dbraw/zinc/72/51/80/815725180.db2.gz KNUHUXHDQXSDNA-VXGBXAGGSA-N 2 0 281.360 -0.958 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)[C@]3(N)CCC[NH2+]C3)C[C@H]2C1 ZINC001161174713 815725242 /nfs/dbraw/zinc/72/52/42/815725242.db2.gz CZYZAPYCYLWJDS-NFAWXSAZSA-N 2 0 280.416 -0.133 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])COC(C)=O)C[C@H]2C1 ZINC001161176311 815726464 /nfs/dbraw/zinc/72/64/64/815726464.db2.gz SSQSLYJPKBDSBS-XQQFMLRXSA-N 2 0 283.372 -0.323 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)[C@]3(N)CC[NH2+]C3)C[C@H]2C1 ZINC001161176266 815726572 /nfs/dbraw/zinc/72/65/72/815726572.db2.gz RPPKPDLUZAHIFK-SCRDCRAPSA-N 2 0 266.389 -0.523 20 0 CBADRP O=C([C@H]1C[NH2+]C[C@H]1O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161207643 815727317 /nfs/dbraw/zinc/72/73/17/815727317.db2.gz BNWQHQDIIADGDW-UONOGXRCSA-N 2 0 281.400 -0.195 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)N2CCC(C3CC[NH2+]CC3)CC2)C1 ZINC001161207940 815727615 /nfs/dbraw/zinc/72/76/15/815727615.db2.gz FHHWFBFZEJWGQI-KGLIPLIRSA-N 2 0 280.416 -0.086 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])CCC[NH3+])[C@H]1CCC2(C1)OCCO2 ZINC001161219370 815728782 /nfs/dbraw/zinc/72/87/82/815728782.db2.gz PMBOTIBYJXVRBV-QWRGUYRKSA-N 2 0 271.361 -0.193 20 0 CBADRP CN(C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161217550 815728812 /nfs/dbraw/zinc/72/88/12/815728812.db2.gz DLWVGSUXSWKTRK-ASHHDVGLSA-N 2 0 265.357 -0.570 20 0 CBADRP CN(C(=O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161217111 815728836 /nfs/dbraw/zinc/72/88/36/815728836.db2.gz ASLVSVKIHZLUSF-SEBNEYGDSA-N 2 0 292.427 -0.264 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)[C@@H](C)CO1 ZINC001161234736 815729997 /nfs/dbraw/zinc/72/99/97/815729997.db2.gz GWJXRJJGRWAINI-DMDPSCGWSA-N 2 0 284.404 -0.627 20 0 CBADRP C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C[C@H](C)[NH2+]1 ZINC001161229056 815730008 /nfs/dbraw/zinc/73/00/08/815730008.db2.gz AIICDUUDOLGUEJ-CIQGVGRVSA-N 3 0 266.389 -0.606 20 0 CBADRP C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C[C@H](C)[NH2+]1 ZINC001161229534 815730119 /nfs/dbraw/zinc/73/01/19/815730119.db2.gz LVAXHUOUFFQBGM-DCAQKATOSA-N 3 0 252.362 -0.996 20 0 CBADRP C[NH2+][C@@H]1CCCN(CC(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)C1 ZINC001161231310 815730891 /nfs/dbraw/zinc/73/08/91/815730891.db2.gz HLULTUDGGLSTEG-RWMBFGLXSA-N 2 0 268.405 -0.121 20 0 CBADRP [NH3+][C@H](C(=O)N1CCC[C@H](n2ccnn2)C1)C1CC[NH2+]CC1 ZINC001161235069 815731845 /nfs/dbraw/zinc/73/18/45/815731845.db2.gz MVFOZGZVCNVVHD-STQMWFEESA-N 2 0 292.387 -0.232 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCC[C@H](n2ccnn2)C1)C1CC[NH2+]CC1 ZINC001161235068 815732419 /nfs/dbraw/zinc/73/24/19/815732419.db2.gz MVFOZGZVCNVVHD-QWHCGFSZSA-N 2 0 292.387 -0.232 20 0 CBADRP Cc1c[nH+]ccc1N1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC001161305890 815737837 /nfs/dbraw/zinc/73/78/37/815737837.db2.gz BXCJNZHPGKXGCO-CHWSQXEVSA-N 2 0 290.367 -0.239 20 0 CBADRP Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC001161306690 815738594 /nfs/dbraw/zinc/73/85/94/815738594.db2.gz WALSDLQOPJMQGX-TZMCWYRMSA-N 2 0 290.367 -0.381 20 0 CBADRP CCN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CCC[NH2+]C1 ZINC001161329815 815741075 /nfs/dbraw/zinc/74/10/75/815741075.db2.gz COFVNOVWJRSHLH-OBJOEFQTSA-N 2 0 267.373 -0.177 20 0 CBADRP CCN(C(=O)[C@@H]([NH3+])COC(C)=O)[C@@H]1CCC[NH2+]C1 ZINC001161332082 815741077 /nfs/dbraw/zinc/74/10/77/815741077.db2.gz KDZBKBKBYHBKIV-MNOVXSKESA-N 2 0 257.334 -0.523 20 0 CBADRP CCOC(=O)C1(C(=O)N(CC)[C@@H]2CCC[NH2+]C2)C[NH2+]C1 ZINC001161329333 815741129 /nfs/dbraw/zinc/74/11/29/815741129.db2.gz ANKDCRNVNQGPKR-LLVKDONJSA-N 2 0 283.372 -0.260 20 0 CBADRP CCN(C(=O)[C@]1(N)CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001161329468 815741135 /nfs/dbraw/zinc/74/11/35/815741135.db2.gz CVGXCSOZSVWOIJ-YPMHNXCESA-N 2 0 254.378 -0.332 20 0 CBADRP CCOC(=O)C1(C(=O)N(CC)[C@H]2CCC[NH2+]C2)C[NH2+]C1 ZINC001161329334 815741151 /nfs/dbraw/zinc/74/11/51/815741151.db2.gz ANKDCRNVNQGPKR-NSHDSACASA-N 2 0 283.372 -0.260 20 0 CBADRP CCN(C(=O)[C@H]1NC(=O)CC12C[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC001161332370 815741197 /nfs/dbraw/zinc/74/11/97/815741197.db2.gz MNLACEMIMRGCMB-CMPLNLGQSA-N 2 0 280.372 -0.935 20 0 CBADRP CCN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CCC[NH2+]C1 ZINC001161329817 815741200 /nfs/dbraw/zinc/74/12/00/815741200.db2.gz COFVNOVWJRSHLH-SCRDCRAPSA-N 2 0 267.373 -0.177 20 0 CBADRP CCN(C(=O)C[C@@H]([NH3+])CCC(N)=O)[C@@H]1CCC[NH2+]C1 ZINC001161329460 815741665 /nfs/dbraw/zinc/74/16/65/815741665.db2.gz CUDNCEBQDUGMGR-WDEREUQCSA-N 2 0 270.377 -0.430 20 0 CBADRP CCN(C(=O)[C@@H]1C[NH2+]CCCO1)[C@H]1CCC[NH2+]C1 ZINC001161332831 815742694 /nfs/dbraw/zinc/74/26/94/815742694.db2.gz PUACGEUYSFLMRW-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP CCN(C(=O)[C@@H]1C[NH2+]C[C@@H](O)C1)[C@H]1CCC[NH2+]C1 ZINC001161333882 815743086 /nfs/dbraw/zinc/74/30/86/815743086.db2.gz XXEMUDWFSRNYHM-SRVKXCTJSA-N 2 0 255.362 -0.443 20 0 CBADRP CCN(C(=O)C[C@@H]1COCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161337859 815744250 /nfs/dbraw/zinc/74/42/50/815744250.db2.gz APRPQFLKACNLJA-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP CCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)[C@H]1CCC[NH2+]C1 ZINC001161338335 815744738 /nfs/dbraw/zinc/74/47/38/815744738.db2.gz DWSPZGCUUZTECL-NWDGAFQWSA-N 2 0 255.362 -0.347 20 0 CBADRP CC(C)N(C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC001161352389 815745655 /nfs/dbraw/zinc/74/56/55/815745655.db2.gz VRAQCEWYGWSDRC-NWDGAFQWSA-N 3 0 266.389 -0.606 20 0 CBADRP CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161339593 815746239 /nfs/dbraw/zinc/74/62/39/815746239.db2.gz LWQDVDDYVJPXPG-QWRGUYRKSA-N 3 0 274.434 -0.394 20 0 CBADRP CC(C)N(C(=O)[C@H]([NH3+])CCCNC(N)=O)[C@H]1CC[NH2+]C1 ZINC001161351278 815745918 /nfs/dbraw/zinc/74/59/18/815745918.db2.gz IKMZOAZUYIKRTL-WDEREUQCSA-N 2 0 285.392 -0.639 20 0 CBADRP CCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001161340139 815746188 /nfs/dbraw/zinc/74/61/88/815746188.db2.gz PECYIOIMCFFAAH-OLZOCXBDSA-N 3 0 268.405 -0.086 20 0 CBADRP CC(C)N(C(=O)[C@]12C[NH2+]C[C@H]1CCN2)[C@H]1CC[NH2+]C1 ZINC001161350667 815746419 /nfs/dbraw/zinc/74/64/19/815746419.db2.gz AZEODHMWLPQJCJ-DYEKYZERSA-N 2 0 266.389 -0.463 20 0 CBADRP CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)[C@H]1CCC[NH2+]C1 ZINC001161342142 815746448 /nfs/dbraw/zinc/74/64/48/815746448.db2.gz ZJDZYRCEAGZQEY-KBPBESRZSA-N 3 0 297.447 -0.663 20 0 CBADRP CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1OC(C)=O)[C@H]1CCC[NH2+]C1 ZINC001161339867 815746469 /nfs/dbraw/zinc/74/64/69/815746469.db2.gz NEGGUIHSIFTQEO-YNEHKIRRSA-N 2 0 283.372 -0.262 20 0 CBADRP COC(=O)[C@]1(C)COCCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001161371133 815747072 /nfs/dbraw/zinc/74/70/72/815747072.db2.gz AYMIJDUQWPLCGV-FZMZJTMJSA-N 2 0 299.371 -0.896 20 0 CBADRP COC(=O)[C@@]1(C)COCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001161373385 815747289 /nfs/dbraw/zinc/74/72/89/815747289.db2.gz PYGBCROARWVPDP-GXFFZTMASA-N 2 0 287.360 -0.767 20 0 CBADRP CC(C)N(C(=O)C1(N)CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001161353734 815747581 /nfs/dbraw/zinc/74/75/81/815747581.db2.gz YKQNAQLZTUEOJN-NSHDSACASA-N 2 0 254.378 -0.334 20 0 CBADRP COC(=O)[C@@]1(C)COCCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001161371135 815747606 /nfs/dbraw/zinc/74/76/06/815747606.db2.gz AYMIJDUQWPLCGV-SMDDNHRTSA-N 2 0 299.371 -0.896 20 0 CBADRP N[C@@H](C[NH3+])C(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001161387269 815748598 /nfs/dbraw/zinc/74/85/98/815748598.db2.gz PMASKYYICDHYRZ-NSHDSACASA-N 2 0 281.335 -0.408 20 0 CBADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)C[C@H]3COCC[NH2+]3)C2)CC1 ZINC001161381664 815749158 /nfs/dbraw/zinc/74/91/58/815749158.db2.gz YUROKFYXXRQNSI-UONOGXRCSA-N 2 0 296.415 -0.611 20 0 CBADRP [NH3+]C1CCN([C@H]2CCN(C(=O)C[C@H]3COCC[NH2+]3)C2)CC1 ZINC001161381660 815749267 /nfs/dbraw/zinc/74/92/67/815749267.db2.gz YUROKFYXXRQNSI-KBPBESRZSA-N 2 0 296.415 -0.611 20 0 CBADRP O=C([C@H]1[NH2+]CC[C@H]1O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161389202 815750630 /nfs/dbraw/zinc/75/06/30/815750630.db2.gz PCYUEQNOXTYEFQ-UPJWGTAASA-N 2 0 283.372 -0.968 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CCN4)C[C@H]12 ZINC001161413348 815751124 /nfs/dbraw/zinc/75/11/24/815751124.db2.gz PJCPUGJKSURKSW-LARJDALCSA-N 2 0 264.373 -0.866 20 0 CBADRP NC1(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC[NH2+]CC1 ZINC001161413775 815751683 /nfs/dbraw/zinc/75/16/83/815751683.db2.gz REZGVCZJQDNNKD-HBNTYKKESA-N 2 0 252.362 -0.737 20 0 CBADRP [NH3+][C@@H]1C[C@]2(C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)CC[C@H]1N2 ZINC001161412429 815751996 /nfs/dbraw/zinc/75/19/96/815751996.db2.gz KGSFZIPCGGQUNC-DZXXBYIOSA-N 2 0 264.373 -0.596 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161414459 815752478 /nfs/dbraw/zinc/75/24/78/815752478.db2.gz XCSUHAPZMXZPOV-MMWGEVLESA-N 3 0 272.418 -0.799 20 0 CBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C[C@@H]12 ZINC001161414469 815752732 /nfs/dbraw/zinc/75/27/32/815752732.db2.gz XEYBHXQMMUROGU-KMCWBVRRSA-N 3 0 278.400 -0.619 20 0 CBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161422076 815753850 /nfs/dbraw/zinc/75/38/50/815753850.db2.gz ZFRYWAIUGHNZNN-OLZOCXBDSA-N 3 0 278.400 -0.223 20 0 CBADRP O=C([C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N1CC[NH2+]C1 ZINC001161418754 815753891 /nfs/dbraw/zinc/75/38/91/815753891.db2.gz OMMJEDPNLZILPP-VXGBXAGGSA-N 2 0 252.362 -0.550 20 0 CBADRP O=C(N1CC[N@@H+]2CC[C@H]2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161421222 815754495 /nfs/dbraw/zinc/75/44/95/815754495.db2.gz OZDPCQKNLNGUAF-MBNYWOFBSA-N 3 0 264.373 -0.898 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161421952 815754738 /nfs/dbraw/zinc/75/47/38/815754738.db2.gz YSNDRMFTEVRXNC-GFCCVEGCSA-N 2 0 252.362 -0.756 20 0 CBADRP C[NH+](C)CCN(C(=O)C12CC(C1)C[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC001161444881 815755763 /nfs/dbraw/zinc/75/57/63/815755763.db2.gz LQVZARBRKJMBSD-JVWICGRDSA-N 3 0 280.416 -0.119 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@H]1C[NH2+]C[C@@H](O)C1)[C@@H]1CCC[NH2+]C1 ZINC001161444174 815755842 /nfs/dbraw/zinc/75/58/42/815755842.db2.gz DJEKESFIDYWKBP-MJBXVCDLSA-N 3 0 298.431 -0.901 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@]1(C)COCCN1)[C@H]1CCC[NH2+]C1 ZINC001161444657 815755984 /nfs/dbraw/zinc/75/59/84/815755984.db2.gz JRXOPNGBHURWLP-DZGCQCFKSA-N 2 0 298.431 -0.493 20 0 CBADRP COC(=O)[C@H]1CN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@@H]1C ZINC001161459607 815757181 /nfs/dbraw/zinc/75/71/81/815757181.db2.gz RHKNSFRNDRZZSF-LPEHRKFASA-N 2 0 257.334 -0.680 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1CC[C@@H]1[NH3+])CC2 ZINC001161477373 815758954 /nfs/dbraw/zinc/75/89/54/815758954.db2.gz HKTWVXUPFIQAJC-RMIALFOJSA-N 2 0 281.356 -0.523 20 0 CBADRP CN1C(=O)CC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC[C@H]21 ZINC001161481186 815759093 /nfs/dbraw/zinc/75/90/93/815759093.db2.gz CTQZLYZGZYZODZ-FRRDWIJNSA-N 2 0 296.415 -0.088 20 0 CBADRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161488447 815759860 /nfs/dbraw/zinc/75/98/60/815759860.db2.gz CJLCFQODKUMKRO-YPMHNXCESA-N 3 0 266.389 -0.617 20 0 CBADRP C[C@]1(C[NH3+])CCCN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC001161487167 815760563 /nfs/dbraw/zinc/76/05/63/815760563.db2.gz DTYIBHDICGLSQC-WCQYABFASA-N 2 0 255.362 -0.048 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[C@@H]1[NH3+] ZINC001161492671 815761273 /nfs/dbraw/zinc/76/12/73/815761273.db2.gz UPRAKFMXFMJFPC-SDDRHHMPSA-N 3 0 282.388 -0.955 20 0 CBADRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161489529 815761710 /nfs/dbraw/zinc/76/17/10/815761710.db2.gz UOSWICLEQOHPMR-JSGCOSHPSA-N 3 0 268.405 -0.099 20 0 CBADRP C[C@@H]1CN(C2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2)C[C@H](C)O1 ZINC001161497760 815762744 /nfs/dbraw/zinc/76/27/44/815762744.db2.gz CZZIZAICRYGXCH-SCRDCRAPSA-N 2 0 298.431 -0.237 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]C2)CC12COC2 ZINC001161509815 815764665 /nfs/dbraw/zinc/76/46/65/815764665.db2.gz LAXYNRUVFJUPBK-WDEREUQCSA-N 2 0 253.346 -0.438 20 0 CBADRP N[C@@H](C[NH3+])c1ccc(C(=O)N2C[C@H]([NH3+])C3(COC3)C2)cc1 ZINC001161507282 815764851 /nfs/dbraw/zinc/76/48/51/815764851.db2.gz RTSILXDTIOTKRU-STQMWFEESA-N 2 0 290.367 -0.555 20 0 CBADRP [NH3+][C@@H](Cc1cccc(O)c1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161510320 815764989 /nfs/dbraw/zinc/76/49/89/815764989.db2.gz NBYBWQQGUKYLCK-QWHCGFSZSA-N 2 0 291.351 -0.552 20 0 CBADRP [NH3+][C@H]1CN(C(=O)C[C@@H]2CCC[NH2+]C2)CC12COC2 ZINC001161509813 815765013 /nfs/dbraw/zinc/76/50/13/815765013.db2.gz LAXYNRUVFJUPBK-QWRGUYRKSA-N 2 0 253.346 -0.438 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC12COC2 ZINC001161510821 815765080 /nfs/dbraw/zinc/76/50/80/815765080.db2.gz SATQQKRCRWGSQE-KGLIPLIRSA-N 2 0 287.363 -0.113 20 0 CBADRP [NH3+][C@H]1CN(C(=O)CC2CC[NH2+]CC2)CC12COC2 ZINC001161501397 815765105 /nfs/dbraw/zinc/76/51/05/815765105.db2.gz XAZNPTOYUPTMLL-NSHDSACASA-N 2 0 253.346 -0.438 20 0 CBADRP [NH3+][C@H]1CN(C(=O)C=C2CC[NH2+]CC2)CC12COC2 ZINC001161509496 815765131 /nfs/dbraw/zinc/76/51/31/815765131.db2.gz KHIFXMHRFXOTME-NSHDSACASA-N 2 0 251.330 -0.518 20 0 CBADRP [NH3+][C@H]1CN(C(=O)C[C@H]2CCCC[NH2+]2)CC12COC2 ZINC001161511342 815766059 /nfs/dbraw/zinc/76/60/59/815766059.db2.gz YUPPXWIGHBURDV-MNOVXSKESA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@]2([NH3+])CCc3ccccc32)CC12COC2 ZINC001161511157 815766616 /nfs/dbraw/zinc/76/66/16/815766616.db2.gz XSDZHYYXJIJJGG-CZUORRHYSA-N 2 0 287.363 -0.027 20 0 CBADRP C[NH+]1CC2(CN(C(=O)[C@@H]([NH3+])C3CCC(O)CC3)C2)C1 ZINC001161531487 815767428 /nfs/dbraw/zinc/76/74/28/815767428.db2.gz GEQMQIUHFURXBB-MCIGGMRASA-N 2 0 267.373 -0.361 20 0 CBADRP C[NH+]1CC2(CN(C(=O)CN3CCCC[C@H]([NH3+])C3=O)C2)C1 ZINC001161532937 815767562 /nfs/dbraw/zinc/76/75/62/815767562.db2.gz ZVABBRGJRSRLTE-NSHDSACASA-N 2 0 280.372 -0.900 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001161530284 815768091 /nfs/dbraw/zinc/76/80/91/815768091.db2.gz UOSLLJBOZYXIKA-GRYCIOLGSA-N 3 0 266.389 -0.191 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161545552 815769054 /nfs/dbraw/zinc/76/90/54/815769054.db2.gz XEUHFSHPFWWCFS-NSHDSACASA-N 3 0 254.378 -0.332 20 0 CBADRP C[C@@]1(C(=O)N2CC[NH2+]C3(CC3)C2)CC[NH2+]C[C@@H]1O ZINC001161545785 815769233 /nfs/dbraw/zinc/76/92/33/815769233.db2.gz ZRWMZJQBBRAYRB-CMPLNLGQSA-N 2 0 253.346 -0.689 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CC[NH2+]C2(CC2)C1 ZINC001161545073 815769990 /nfs/dbraw/zinc/76/99/90/815769990.db2.gz LDRATUVUFCHPTG-ZDUSSCGKSA-N 2 0 253.346 -0.545 20 0 CBADRP CN(CC(=O)N1CC[NH2+]C2(CC2)C1)[C@H]1CCC[NH2+]C1 ZINC001161550068 815770027 /nfs/dbraw/zinc/77/00/27/815770027.db2.gz BGUUTDPLLMVCIZ-LBPRGKRZSA-N 2 0 266.389 -0.365 20 0 CBADRP O=C(C1=NO[C@@]2(CC[NH2+]C2)C1)N1CC[NH2+]C2(CC2)C1 ZINC001161545115 815770605 /nfs/dbraw/zinc/77/06/05/815770605.db2.gz MOQDYQAMKTVYQO-ZDUSSCGKSA-N 2 0 264.329 -0.541 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC(OCCOC)C1 ZINC001161570682 815773088 /nfs/dbraw/zinc/77/30/88/815773088.db2.gz HHQUICPILRHLEJ-LBPRGKRZSA-N 2 0 273.377 -0.423 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161788936 815786488 /nfs/dbraw/zinc/78/64/88/815786488.db2.gz BTMXDTGVOMMYIP-ZDUSSCGKSA-N 2 0 299.415 -0.282 20 0 CBADRP O=C(NCCC[NH2+][C@@H]1CCNC1=O)C12CCC[NH+]1CCC2 ZINC001161789654 815788705 /nfs/dbraw/zinc/78/87/05/815788705.db2.gz TZXVZOOBNFRLEV-GFCCVEGCSA-N 2 0 294.399 -0.401 20 0 CBADRP C[C@@H](CN1CC[NH2+]CC1)Nc1cnc(C[NH3+])nc1 ZINC001162097371 815802783 /nfs/dbraw/zinc/80/27/83/815802783.db2.gz OQHAPQRFADNZGX-JTQLQIEISA-N 2 0 250.350 -0.359 20 0 CBADRP C[C@@H](CN1CC[NH2+]CC1)Nc1nccc(C2C[NH2+]C2)n1 ZINC001162092778 815802817 /nfs/dbraw/zinc/80/28/17/815802817.db2.gz LOTOGMABDYBQKE-NSHDSACASA-N 2 0 276.388 -0.131 20 0 CBADRP C[C@@H]1CN(c2ccc(-n3nccc3C[NH3+])nn2)CC[NH2+]1 ZINC001162591132 815834627 /nfs/dbraw/zinc/83/46/27/815834627.db2.gz NGTGQCOXXUAROD-SNVBAGLBSA-N 2 0 273.344 -0.081 20 0 CBADRP NC(=O)C[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001162617578 815837697 /nfs/dbraw/zinc/83/76/97/815837697.db2.gz NGHVRNTZFGDHRK-UHFFFAOYSA-N 2 0 275.312 -0.471 20 0 CBADRP c1nc(N[C@H]2COCCC23C[NH2+]C3)nc2c1CC[NH2+]C2 ZINC001163065252 815856173 /nfs/dbraw/zinc/85/61/73/815856173.db2.gz LETDVSIRFURRQM-LBPRGKRZSA-N 2 0 275.356 -0.087 20 0 CBADRP c1c2c(nnc1N[C@@H]1COCCC13C[NH2+]C3)C[NH2+]C2 ZINC001163067897 815857520 /nfs/dbraw/zinc/85/75/20/815857520.db2.gz DLGZUSRWFDWJKC-LLVKDONJSA-N 2 0 261.329 -0.130 20 0 CBADRP c1nc2c(c(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)n1)C[NH2+]CC2 ZINC001163093866 815858942 /nfs/dbraw/zinc/85/89/42/815858942.db2.gz AYHFDWUKIOSYIP-GIPNMCIBSA-N 2 0 275.356 -0.231 20 0 CBADRP c1cc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)nc(N2CC[NH2+]CC2)n1 ZINC001163137895 815861160 /nfs/dbraw/zinc/86/11/60/815861160.db2.gz VLPHPHVGPRIXON-IJLUTSLNSA-N 2 0 290.371 -0.715 20 0 CBADRP c1cc2c(nc1N[C@@H]1C[NH2+][C@@H]3COC[C@H]13)OCC[NH2+]C2 ZINC001163138057 815861531 /nfs/dbraw/zinc/86/15/31/815861531.db2.gz VUEWFMBESWAKAD-IJLUTSLNSA-N 2 0 276.340 -0.038 20 0 CBADRP c1nc2c(c(NC[C@]34C[NH2+]C[C@H]3COC4)n1)C[NH2+]CC2 ZINC001163147743 815861881 /nfs/dbraw/zinc/86/18/81/815861881.db2.gz JXRLGHMJPHJJQN-HZMBPMFUSA-N 2 0 275.356 -0.230 20 0 CBADRP c1cnc(OC2C[NH2+]C2)c(NC[C@@]23C[NH2+][C@@H](CO2)C3)c1 ZINC001163203643 815865537 /nfs/dbraw/zinc/86/55/37/815865537.db2.gz NEOBOBVKOBSJEA-QMTHXVAHSA-N 2 0 276.340 -0.025 20 0 CBADRP NC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163224017 815866897 /nfs/dbraw/zinc/86/68/97/815866897.db2.gz PQYFAZZCUVAWLE-ZDUSSCGKSA-N 2 0 282.388 -0.558 20 0 CBADRP Cc1nnc(C[NH3+])n1-c1ccc(N2CC[NH2+]CC2)nn1 ZINC001163346317 815879253 /nfs/dbraw/zinc/87/92/53/815879253.db2.gz NNIGIFQLGRHTFV-UHFFFAOYSA-N 2 0 274.332 -0.766 20 0 CBADRP Cc1nnc(C[NH3+])n1-c1nccc(N2CCC([NH3+])CC2)n1 ZINC001163348629 815879782 /nfs/dbraw/zinc/87/97/82/815879782.db2.gz KSGZSAHMKDZNQZ-UHFFFAOYSA-N 2 0 288.359 -0.248 20 0 CBADRP Cc1nnc(C[NH3+])n1-c1ccc(N2CC[NH2+]CC2)cn1 ZINC001163348947 815879909 /nfs/dbraw/zinc/87/99/09/815879909.db2.gz ZFSPOJMIBYHMNK-UHFFFAOYSA-N 2 0 273.344 -0.161 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001292999256 816496596 /nfs/dbraw/zinc/49/65/96/816496596.db2.gz ZJIWXCINUXXRLF-GFCCVEGCSA-N 2 0 294.399 -0.591 20 0 CBADRP C[NH+]1CC[C@@H](C(=O)NCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001293334551 816516307 /nfs/dbraw/zinc/51/63/07/816516307.db2.gz WGTDFBAFJWMEMY-CHWSQXEVSA-N 2 0 296.415 -0.488 20 0 CBADRP C[NH+]1CC[C@H](C(=O)NCCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001293334552 816516573 /nfs/dbraw/zinc/51/65/73/816516573.db2.gz WGTDFBAFJWMEMY-STQMWFEESA-N 2 0 296.415 -0.488 20 0 CBADRP C[NH+](C)CCC(=O)NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001298412546 816681238 /nfs/dbraw/zinc/68/12/38/816681238.db2.gz HHWQBPVUOBOIKL-IHVVCDCBSA-N 2 0 296.415 -0.322 20 0 CBADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)Cn2ccnn2)CC1 ZINC001308810190 816827080 /nfs/dbraw/zinc/82/70/80/816827080.db2.gz NXHKHZINZLZKQM-ZDUSSCGKSA-N 2 0 267.377 -0.040 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001316623481 816871970 /nfs/dbraw/zinc/87/19/70/816871970.db2.gz HVUGUXAWTWLAMD-MELADBBJSA-N 2 0 299.415 -0.569 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001316621155 816872176 /nfs/dbraw/zinc/87/21/76/816872176.db2.gz YPDXKPXLJDCXNF-SDDRHHMPSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001316636662 816873297 /nfs/dbraw/zinc/87/32/97/816873297.db2.gz QGLDEAKMKHGQHT-GMTAPVOTSA-N 2 0 266.345 -0.183 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001316831015 816887022 /nfs/dbraw/zinc/88/70/22/816887022.db2.gz WASYENJVYMVGFK-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP C[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)CC(N)=O ZINC001316854961 816892125 /nfs/dbraw/zinc/89/21/25/816892125.db2.gz PWMMTEFLHQOLGX-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](C)[C@@H]2CCNC2=O)C1 ZINC001316851438 816892557 /nfs/dbraw/zinc/89/25/57/816892557.db2.gz WSEIBLQCLCJCEW-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](CC(N)=O)C1CC1 ZINC001316922687 816901948 /nfs/dbraw/zinc/90/19/48/816901948.db2.gz VOEFMPBLYLNGHT-GFCCVEGCSA-N 2 0 282.388 -0.463 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]CCO)C2CC2)C1 ZINC001317035299 816922872 /nfs/dbraw/zinc/92/28/72/816922872.db2.gz SSSIAXZBPPNJIP-NEPJUHHUSA-N 2 0 255.362 -0.585 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOCCO)C1 ZINC001317072186 816928089 /nfs/dbraw/zinc/92/80/89/816928089.db2.gz FFISQKFVUUGFPU-AVGNSLFASA-N 2 0 285.388 -0.674 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001317115128 816933952 /nfs/dbraw/zinc/93/39/52/816933952.db2.gz KLZKVHBPTADVQP-KXUCPTDWSA-N 2 0 256.350 -0.951 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCO ZINC001317246671 816949131 /nfs/dbraw/zinc/94/91/31/816949131.db2.gz WYMJZVPIVIFUBY-RYUDHWBXSA-N 2 0 257.378 -0.053 20 0 CBADRP CCCCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001317290379 816960034 /nfs/dbraw/zinc/96/00/34/816960034.db2.gz ONZABFQCPICTFY-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CCCCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317290376 816960563 /nfs/dbraw/zinc/96/05/63/816960563.db2.gz ONZABFQCPICTFY-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)CCCCC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001317342349 816967780 /nfs/dbraw/zinc/96/77/80/816967780.db2.gz GDBQGAQRIOEXGT-LBPRGKRZSA-N 2 0 284.404 -0.358 20 0 CBADRP CC[N@H+](CCCO)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001317485315 816995467 /nfs/dbraw/zinc/99/54/67/816995467.db2.gz SRURHKDUZLVFKU-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC[NH+]2CCO)C1 ZINC001317511452 817000695 /nfs/dbraw/zinc/00/06/95/817000695.db2.gz ASXKXQBYCJCJFN-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[C@@H](C(=O)N(C)CC[NH2+]CC(=O)N1CCCC1)[NH+](C)C ZINC001317629352 817035548 /nfs/dbraw/zinc/03/55/48/817035548.db2.gz QYHKVPXFEFDVPI-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP COCCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001318241698 817089952 /nfs/dbraw/zinc/08/99/52/817089952.db2.gz ZQLIKDIRYMZESS-KBPBESRZSA-N 2 0 299.415 -0.066 20 0 CBADRP CN(C(=O)C1([NH+](C)C)CCC1)[C@@H]1CC[N@H+](CCO)C1 ZINC001318407841 817105812 /nfs/dbraw/zinc/10/58/12/817105812.db2.gz UIMRFUNHXVJLEB-GFCCVEGCSA-N 2 0 269.389 -0.004 20 0 CBADRP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCO ZINC001318595932 817125793 /nfs/dbraw/zinc/12/57/93/817125793.db2.gz RLMUIHSWARWAIM-NEPJUHHUSA-N 2 0 257.378 -0.195 20 0 CBADRP C[NH+]1CCC(C(=O)NCCN2CC[NH+](C)CC2)CC1 ZINC001318765042 817139310 /nfs/dbraw/zinc/13/93/10/817139310.db2.gz JDAXBENWYAUTLT-UHFFFAOYSA-N 2 0 268.405 -0.308 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]CCO ZINC001319190039 817175097 /nfs/dbraw/zinc/17/50/97/817175097.db2.gz RPKSZXKTHGTEHS-WCQYABFASA-N 2 0 269.389 -0.338 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1c[nH]c(=O)n1C ZINC001191002126 823867116 /nfs/dbraw/zinc/86/71/16/823867116.db2.gz JFVZVGFAHBMPDZ-UHFFFAOYSA-N 2 0 282.348 -0.197 20 0 CBADRP CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001320640614 817366566 /nfs/dbraw/zinc/36/65/66/817366566.db2.gz RYRHESVBHFOJQQ-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CCN(CC[NH2+]CC(N)=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001320892039 817407688 /nfs/dbraw/zinc/40/76/88/817407688.db2.gz XMJXDWXNFLZYRN-NSHDSACASA-N 2 0 270.377 -0.748 20 0 CBADRP CCN(CC[NH2+]C[C@H](C)O)C(=O)C12CC[NH+](CC1)C2 ZINC001320891802 817407980 /nfs/dbraw/zinc/40/79/80/817407980.db2.gz RXZDJTQYHKSVGU-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP CCN(CC[NH2+]CC(N)=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320892038 817408493 /nfs/dbraw/zinc/40/84/93/817408493.db2.gz XMJXDWXNFLZYRN-LLVKDONJSA-N 2 0 270.377 -0.748 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001320921539 817411368 /nfs/dbraw/zinc/41/13/68/817411368.db2.gz MYHXLYYLSHXWDG-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@H](O)C[NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001321065170 817437338 /nfs/dbraw/zinc/43/73/38/817437338.db2.gz RFUUWJHITIGEBN-HAXFYCRJSA-N 2 0 281.400 -0.029 20 0 CBADRP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001321119713 817444802 /nfs/dbraw/zinc/44/48/02/817444802.db2.gz BTRCRANVUDNQGC-XMXMHJJKSA-N 2 0 282.388 -0.394 20 0 CBADRP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CC(N)=O)CC1 ZINC001321221355 817464277 /nfs/dbraw/zinc/46/42/77/817464277.db2.gz GJXAQZFYBDDODA-NSCUHMNNSA-N 2 0 268.361 -0.925 20 0 CBADRP COC[C@H](O)C[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001321224183 817465621 /nfs/dbraw/zinc/46/56/21/817465621.db2.gz QCZITKZQLXWMIS-RDFMZFSFSA-N 2 0 299.415 -0.403 20 0 CBADRP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001321349735 817487261 /nfs/dbraw/zinc/48/72/61/817487261.db2.gz KZNDDUYWWQAURQ-MVSYMCDOSA-N 2 0 284.404 -0.292 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)C(N)=O ZINC001321418825 817497469 /nfs/dbraw/zinc/49/74/69/817497469.db2.gz JVEWGQKLGVUQOS-AGFGORMFSA-N 2 0 296.415 -0.003 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])C(C)C)C[NH2+]C1 ZINC001220827173 825106494 /nfs/dbraw/zinc/10/64/94/825106494.db2.gz IYQNDQADGVTDFO-JTQLQIEISA-N 2 0 255.318 -0.494 20 0 CBADRP CCCOC[C@H](O)C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246017384 825621798 /nfs/dbraw/zinc/62/17/98/825621798.db2.gz ASRQSIVUSLYFOD-OLZOCXBDSA-N 2 0 260.378 -0.050 20 0 CBADRP CN1CC[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)CC1=O ZINC001253403327 825913462 /nfs/dbraw/zinc/91/34/62/825913462.db2.gz FFCLGVCESHBOQT-MNOVXSKESA-N 2 0 257.378 -0.054 20 0 CBADRP C[C@@H]([NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001163822085 819854909 /nfs/dbraw/zinc/85/49/09/819854909.db2.gz RTASLVNNKIDFAS-NEPJUHHUSA-N 2 0 296.415 -0.170 20 0 CBADRP [NH3+]CCN(CCO)c1ccc(N2CC[NH2+]CC2)nc1 ZINC001163832864 819855884 /nfs/dbraw/zinc/85/58/84/819855884.db2.gz YEPBJIULZFSCBK-UHFFFAOYSA-N 2 0 265.361 -0.751 20 0 CBADRP [NH3+]CCN(CCO)c1ccnc(N2CCC([NH3+])CC2)n1 ZINC001163829812 819855990 /nfs/dbraw/zinc/85/59/90/819855990.db2.gz DMRVHCPUPUUGHE-UHFFFAOYSA-N 2 0 280.376 -0.839 20 0 CBADRP c1nc2c(n1-c1ncnc3c1CC[NH2+]C3)C[NH2+]CC2 ZINC001164310086 819907190 /nfs/dbraw/zinc/90/71/90/819907190.db2.gz GTSGKILYZIOYOD-UHFFFAOYSA-N 2 0 256.313 -0.046 20 0 CBADRP c1nc2c(n1-c1ccc(N3CC[NH2+]CC3)nn1)C[NH2+]CC2 ZINC001164310239 819908210 /nfs/dbraw/zinc/90/82/10/819908210.db2.gz MVLYDUJWCJUPGC-UHFFFAOYSA-N 2 0 285.355 -0.282 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001164574387 819931170 /nfs/dbraw/zinc/93/11/70/819931170.db2.gz JRYZSWVRIWQREQ-SRVKXCTJSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH+]1CCN(c2ccc(N3CCO[C@@H](C[NH3+])C3)nn2)CC1 ZINC001165122086 819939987 /nfs/dbraw/zinc/93/99/87/819939987.db2.gz UQQUXBZZYXNTHY-LBPRGKRZSA-N 2 0 292.387 -0.608 20 0 CBADRP C[N@H+]1C[C@H]2CN(c3cncc(N4CC[NH2+]CC4)n3)C[C@H]2C1 ZINC001165154216 819941846 /nfs/dbraw/zinc/94/18/46/819941846.db2.gz YWTIEXVUGUTITK-BETUJISGSA-N 2 0 288.399 -0.116 20 0 CBADRP c1nn(-c2cc(C3C[NH2+]C3)ncn2)c2c1C[NH2+]CC2 ZINC001165223243 819943387 /nfs/dbraw/zinc/94/33/87/819943387.db2.gz LLXPXHWKFRHKQN-UHFFFAOYSA-N 2 0 256.313 -0.005 20 0 CBADRP c1nc(C2C[NH2+]C2)cc(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)n1 ZINC001165291904 819949345 /nfs/dbraw/zinc/94/93/45/819949345.db2.gz OFXUJNGYRFCRST-BXUZGUMPSA-N 2 0 289.383 -0.022 20 0 CBADRP CN(C)c1cc[nH+]c(N2CCNC(=O)C23C[NH2+]C3)c1 ZINC001165298299 819952279 /nfs/dbraw/zinc/95/22/79/819952279.db2.gz NAFLTNATVURALH-UHFFFAOYSA-N 2 0 261.329 -0.574 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165361135 819956700 /nfs/dbraw/zinc/95/67/00/819956700.db2.gz YUONEKQDIGAASA-NSHDSACASA-N 2 0 272.393 -0.441 20 0 CBADRP Cn1nncc1C[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165367525 819958286 /nfs/dbraw/zinc/95/82/86/819958286.db2.gz YMLFVZJHBVVQJW-UHFFFAOYSA-N 2 0 282.392 -0.247 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCN1c1ncnc2c1CC[NH2+]CC2 ZINC001165435906 819961100 /nfs/dbraw/zinc/96/11/00/819961100.db2.gz GDASNCYJZVYERJ-GFCCVEGCSA-N 2 0 291.355 -0.884 20 0 CBADRP CN1CC[C@H]([NH2+]CCCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001165775903 819981771 /nfs/dbraw/zinc/98/17/71/819981771.db2.gz BSYCGKMIDOBPSO-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165777013 819981936 /nfs/dbraw/zinc/98/19/36/819981936.db2.gz QTESVVVMFKGLOD-CYBMUJFWSA-N 2 0 287.404 -0.569 20 0 CBADRP Cn1cnnc1C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165772758 819982141 /nfs/dbraw/zinc/98/21/41/819982141.db2.gz WJQLTYUGYFZFEM-UHFFFAOYSA-N 2 0 294.403 -0.247 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165777773 819983083 /nfs/dbraw/zinc/98/30/83/819983083.db2.gz WPUBQIOKDHEILY-LLVKDONJSA-N 2 0 284.404 -0.441 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165794024 819983479 /nfs/dbraw/zinc/98/34/79/819983479.db2.gz HUBYFKWFLJVYLW-UHFFFAOYSA-N 2 0 258.366 -0.830 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165788390 819983593 /nfs/dbraw/zinc/98/35/93/819983593.db2.gz IUVUJQNTENRVFN-GFCCVEGCSA-N 2 0 286.420 -0.051 20 0 CBADRP Cn1cncc1C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165794646 819983874 /nfs/dbraw/zinc/98/38/74/819983874.db2.gz ZJMNLULMGOTYCT-UHFFFAOYSA-N 2 0 267.377 -0.032 20 0 CBADRP Cn1ccnc1C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165793817 819983913 /nfs/dbraw/zinc/98/39/13/819983913.db2.gz BITKMXGOYCFTGP-UHFFFAOYSA-N 2 0 267.377 -0.032 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+]CC(N)=O)[NH+](CC)CC ZINC001166440353 820000293 /nfs/dbraw/zinc/00/02/93/820000293.db2.gz WCANASXEHDGEJB-NSHDSACASA-N 2 0 272.393 -0.312 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001166634251 820008332 /nfs/dbraw/zinc/00/83/32/820008332.db2.gz RPGZESQLJPBDIT-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166627178 820009798 /nfs/dbraw/zinc/00/97/98/820009798.db2.gz RNHLNXKYTXYUTC-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CCCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166667563 820014554 /nfs/dbraw/zinc/01/45/54/820014554.db2.gz DJOGMNDPKUDXNW-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001166668250 820015187 /nfs/dbraw/zinc/01/51/87/820015187.db2.gz WUYYAYAWYMBJOT-VXGBXAGGSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]Cc2cn(C)nn2)C1 ZINC001166677324 820015218 /nfs/dbraw/zinc/01/52/18/820015218.db2.gz HSFNGBCLHREKHL-GFCCVEGCSA-N 2 0 294.403 -0.247 20 0 CBADRP CCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166692818 820015504 /nfs/dbraw/zinc/01/55/04/820015504.db2.gz QEUHINLTEVVJSU-OLZOCXBDSA-N 2 0 298.431 -0.194 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1cnon1 ZINC001166692879 820015904 /nfs/dbraw/zinc/01/59/04/820015904.db2.gz QXXHIEMIHYLVGO-CMPLNLGQSA-N 2 0 281.360 -0.137 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001166678936 820016066 /nfs/dbraw/zinc/01/60/66/820016066.db2.gz ZLIFDQHHMYFQLQ-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCOCCO ZINC001166695098 820016582 /nfs/dbraw/zinc/01/65/82/820016582.db2.gz ZYOYZVAZUVXZLJ-CHWSQXEVSA-N 2 0 287.404 -0.711 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166694028 820017281 /nfs/dbraw/zinc/01/72/81/820017281.db2.gz UUCZZXJBZVLHPS-MNOVXSKESA-N 2 0 270.377 -0.974 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1nncn1C ZINC001166708101 820018143 /nfs/dbraw/zinc/01/81/43/820018143.db2.gz MCELQZBJRSAYND-NEPJUHHUSA-N 2 0 294.403 -0.391 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1cn(C)nn1 ZINC001166715144 820019259 /nfs/dbraw/zinc/01/92/59/820019259.db2.gz SMVMADNZJDLUJE-YPMHNXCESA-N 2 0 294.403 -0.391 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001166708670 820019907 /nfs/dbraw/zinc/01/99/07/820019907.db2.gz VXGRULXDCHNNSC-YPMHNXCESA-N 2 0 296.415 -0.441 20 0 CBADRP C[N@H+](CC(=O)NCCC[NH2+][C@H]1CCNC1=O)CC(C)(C)C ZINC001166744526 820034968 /nfs/dbraw/zinc/03/49/68/820034968.db2.gz YMMBKTYXHYLDDL-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C)C(N)=O ZINC001166852822 820041338 /nfs/dbraw/zinc/04/13/38/820041338.db2.gz XIIZBARFQYSZAW-MNOVXSKESA-N 2 0 272.393 -0.314 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC)[NH+](C)C ZINC001166866804 820041460 /nfs/dbraw/zinc/04/14/60/820041460.db2.gz UXQZNLCQZOXEGX-QWRGUYRKSA-N 2 0 272.393 -0.443 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001166852582 820042598 /nfs/dbraw/zinc/04/25/98/820042598.db2.gz TVWDXMZTBKBSJK-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH2+]Cc1cc(NC2(C(=O)OC)CC[NH2+]CC2)ncn1 ZINC001166930843 820048647 /nfs/dbraw/zinc/04/86/47/820048647.db2.gz FNNAWBXQVNABIN-UHFFFAOYSA-N 2 0 279.344 -0.097 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ncnc2c1CC[NH2+]C2 ZINC001166963315 820053846 /nfs/dbraw/zinc/05/38/46/820053846.db2.gz JTSZFRQJODOENO-KCJUWKMLSA-N 2 0 277.328 -0.799 20 0 CBADRP CNC(=O)C[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166971163 820058297 /nfs/dbraw/zinc/05/82/97/820058297.db2.gz JSNFIPZNVHVNGW-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP [NH3+][C@H]1CN(c2nc(Cl)nc3c2C[NH2+]CC3)C[C@H]1O ZINC001167089065 820068591 /nfs/dbraw/zinc/06/85/91/820068591.db2.gz AEWLNZBAJUGVLQ-IONNQARKSA-N 2 0 269.736 -0.716 20 0 CBADRP Cc1cc(-n2nnc(CC[NH3+])n2)nc2c1C[NH2+]CC2 ZINC001167787546 820115981 /nfs/dbraw/zinc/11/59/81/820115981.db2.gz AMOYXQHYRQKIIX-UHFFFAOYSA-N 2 0 259.317 -0.487 20 0 CBADRP [NH3+]CCc1nnn(-c2nc(Cl)nc3c2CC[NH2+]CC3)n1 ZINC001167791537 820119393 /nfs/dbraw/zinc/11/93/93/820119393.db2.gz OQEJOZSKYLLZQO-UHFFFAOYSA-N 2 0 294.750 -0.705 20 0 CBADRP [NH3+]CCc1nnn(-c2ccc3c(n2)OCC[NH2+]C3)n1 ZINC001167790755 820119505 /nfs/dbraw/zinc/11/95/05/820119505.db2.gz DWZXNYOKJSHTBR-UHFFFAOYSA-N 2 0 261.289 -0.960 20 0 CBADRP CS(=O)(=O)c1ccc(NC(=[NH2+])NCCCC[NH3+])nn1 ZINC001167879877 820125048 /nfs/dbraw/zinc/12/50/48/820125048.db2.gz QDOTWSCCNSQUHG-UHFFFAOYSA-N 2 0 286.361 -0.445 20 0 CBADRP COC(=O)Cc1ncc(NC(=[NH2+])NCCCC[NH3+])cn1 ZINC001167879239 820125160 /nfs/dbraw/zinc/12/51/60/820125160.db2.gz UWLWVZMWGQUHNT-UHFFFAOYSA-N 2 0 280.332 -0.133 20 0 CBADRP CN1CCOc2c1cnnc2NC(=[NH2+])NCCCC[NH3+] ZINC001167879024 820125383 /nfs/dbraw/zinc/12/53/83/820125383.db2.gz WRCPUBAXFLAIAJ-UHFFFAOYSA-N 2 0 279.348 -0.020 20 0 CBADRP NC(=O)c1nccnc1NC(=[NH2+])NCCCC[NH3+] ZINC001167878049 820125615 /nfs/dbraw/zinc/12/56/15/820125615.db2.gz NWQUZJPWEGTLGE-UHFFFAOYSA-N 2 0 251.294 -0.749 20 0 CBADRP CN1c2ncnc(NC(=[NH2+])NCCCC[NH3+])c2CC1=O ZINC001167877678 820125683 /nfs/dbraw/zinc/12/56/83/820125683.db2.gz JQGACAAQBCMQCB-UHFFFAOYSA-N 2 0 277.332 -0.329 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])Nc1ncc2c(n1)NC(=O)CO2 ZINC001167880607 820125730 /nfs/dbraw/zinc/12/57/30/820125730.db2.gz RJIQBNGZAOYEFT-UHFFFAOYSA-N 2 0 279.304 -0.517 20 0 CBADRP COC(=O)c1nccc(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001167884286 820125777 /nfs/dbraw/zinc/12/57/77/820125777.db2.gz URDGNYHWQXTLOM-UHFFFAOYSA-N 2 0 266.305 -0.640 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])Nc1ccnc(N2CC[NH2+]CC2)n1 ZINC001167878780 820125851 /nfs/dbraw/zinc/12/58/51/820125851.db2.gz DIYNUVPYUSCXGZ-UHFFFAOYSA-N 3 0 292.391 -0.439 20 0 CBADRP COC(=O)[C@@H](CCC[NH3+])Nc1cc2c(nn1)C[NH2+]C2 ZINC001167896611 820126772 /nfs/dbraw/zinc/12/67/72/820126772.db2.gz YGXKDOPYMLBKGJ-SECBINFHSA-N 2 0 265.317 -0.228 20 0 CBADRP C[C@H]([NH2+]CC1(CCNC(=O)C[NH+]2CCCC2)CC1)C(N)=O ZINC001168148077 820146337 /nfs/dbraw/zinc/14/63/37/820146337.db2.gz ZRCCHGPTPHEWHD-LBPRGKRZSA-N 2 0 296.415 -0.168 20 0 CBADRP C[NH+](C)C1CCC([NH+]2CCN(CC(N)=O)CC2)CC1 ZINC001168326627 820156935 /nfs/dbraw/zinc/15/69/35/820156935.db2.gz CQDKDYYJXGLCBY-UHFFFAOYSA-N 2 0 268.405 -0.038 20 0 CBADRP C[NH+](C)C1CCC([NH+]2CC(N3CCNC(=O)C3)C2)CC1 ZINC001168324359 820157068 /nfs/dbraw/zinc/15/70/68/820157068.db2.gz MTPAJFUWSQGMKP-UHFFFAOYSA-N 2 0 280.416 -0.025 20 0 CBADRP CN1CCN(C(=[NH2+])Nc2ncc3c(n2)C[NH2+]CC3)CC1 ZINC001168736665 820170181 /nfs/dbraw/zinc/17/01/81/820170181.db2.gz OYSHBWNNXZPNJD-UHFFFAOYSA-N 2 0 275.360 -0.284 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001168754793 820174594 /nfs/dbraw/zinc/17/45/94/820174594.db2.gz BVOBOLLMLMLITM-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001168754826 820174893 /nfs/dbraw/zinc/17/48/93/820174893.db2.gz CEUPQSGVXWUAAC-UHFFFAOYSA-N 2 0 282.392 -0.247 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001168756036 820176921 /nfs/dbraw/zinc/17/69/21/820176921.db2.gz UDGKZXRZJRKHIT-UHFFFAOYSA-N 2 0 272.393 -0.488 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC ZINC001168763491 820179994 /nfs/dbraw/zinc/17/99/94/820179994.db2.gz OHXADWLNBMQKPZ-NSHDSACASA-N 2 0 272.393 -0.441 20 0 CBADRP [NH3+]Cc1nnnn1-c1cccc(CN2CC[C@@H]([NH3+])C2)c1 ZINC001168922749 820193219 /nfs/dbraw/zinc/19/32/19/820193219.db2.gz AQIKXPJXJPTHQZ-LLVKDONJSA-N 2 0 273.344 -0.346 20 0 CBADRP [NH3+]CCc1cnn(-c2nccnc2N2CC[NH2+]CC2)c1 ZINC001168949258 820195785 /nfs/dbraw/zinc/19/57/85/820195785.db2.gz XEHQNPLYLJLRQO-UHFFFAOYSA-N 2 0 273.344 -0.427 20 0 CBADRP [NH3+]CCc1cnn(-c2nccc(N3CC[NH2+]CC3)n2)c1 ZINC001168948714 820195921 /nfs/dbraw/zinc/19/59/21/820195921.db2.gz RLOBNDBLUIYKPZ-UHFFFAOYSA-N 2 0 273.344 -0.427 20 0 CBADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C2 ZINC001169109475 820208445 /nfs/dbraw/zinc/20/84/45/820208445.db2.gz IZIXYQFJPFSEHD-CNDDSTCGSA-N 3 0 286.380 -0.251 20 0 CBADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CC(=O)NC1=O)C2 ZINC001169108051 820209333 /nfs/dbraw/zinc/20/93/33/820209333.db2.gz NNTWQKDBGSEOMR-CHWFTXMASA-N 2 0 251.330 -0.136 20 0 CBADRP [NH3+]Cc1cnnn1-c1ccc(N2CC[NH2+]CC2)nc1 ZINC001169310933 820226774 /nfs/dbraw/zinc/22/67/74/820226774.db2.gz OFDSTVNBVYJNJE-UHFFFAOYSA-N 2 0 259.317 -0.469 20 0 CBADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCN2CC[NH+](C)CC2)CO1 ZINC001169312667 820228501 /nfs/dbraw/zinc/22/85/01/820228501.db2.gz DEOJJFSXDNMDOM-UONOGXRCSA-N 2 0 299.415 -0.066 20 0 CBADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCOCC[NH3+])CO1 ZINC001169318910 820228605 /nfs/dbraw/zinc/22/86/05/820228605.db2.gz GBYKXTWSDKBIKL-GHMZBOCLSA-N 2 0 260.334 -0.338 20 0 CBADRP CC(=O)N1CC[C@H]([NH2+]CCN2CCC[N@@H+](C)CC2)C1 ZINC001169507524 820249516 /nfs/dbraw/zinc/24/95/16/820249516.db2.gz TYBLVAWQCYTHLI-AWEZNQCLSA-N 2 0 268.405 -0.166 20 0 CBADRP CC(=O)N1CC[C@@H]([NH2+]CCCOCCOCCC[NH3+])C1 ZINC001169505279 820249925 /nfs/dbraw/zinc/24/99/25/820249925.db2.gz XMDRGRYNIWWAMW-CQSZACIVSA-N 2 0 287.404 -0.031 20 0 CBADRP C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169809981 820265956 /nfs/dbraw/zinc/26/59/56/820265956.db2.gz MVOGBFXMXIPQIM-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001169941455 820271416 /nfs/dbraw/zinc/27/14/16/820271416.db2.gz UJEMOKJDFCNTSB-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP COc1c(NC[C@H]2COCC[NH2+]2)ncnc1C1C[NH2+]C1 ZINC001170044227 820275565 /nfs/dbraw/zinc/27/55/65/820275565.db2.gz LOGNYYWMUTYSMR-JTQLQIEISA-N 2 0 279.344 -0.428 20 0 CBADRP c1cc(NC[C@@H]2COCC[NH2+]2)ncc1OC1C[NH2+]C1 ZINC001170047378 820277402 /nfs/dbraw/zinc/27/74/02/820277402.db2.gz LSNSVCIAIIHIFY-SNVBAGLBSA-N 2 0 264.329 -0.168 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001170210683 820279860 /nfs/dbraw/zinc/27/98/60/820279860.db2.gz GMODZXJBJUENMQ-NSHDSACASA-N 2 0 298.387 -0.771 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1cn(C)nn1 ZINC001170211106 820280679 /nfs/dbraw/zinc/28/06/79/820280679.db2.gz JQFBNBKHYZNACK-UHFFFAOYSA-N 2 0 282.392 -0.247 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001170211500 820281123 /nfs/dbraw/zinc/28/11/23/820281123.db2.gz NZLKAGVMRNLKIR-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C ZINC001170222536 820282158 /nfs/dbraw/zinc/28/21/58/820282158.db2.gz MMUQQEHXCZPIEF-GFCCVEGCSA-N 2 0 286.420 -0.099 20 0 CBADRP C[C@H]1CN(c2ccc(NCCN(C)CC[NH3+])nn2)CC[NH2+]1 ZINC001170497058 820294119 /nfs/dbraw/zinc/29/41/19/820294119.db2.gz BYILVHBIGCMNLV-LBPRGKRZSA-N 2 0 293.419 -0.423 20 0 CBADRP C[NH2+]Cc1cc(NCCOCCOCC[NH3+])ncn1 ZINC001170506933 820297547 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OC[C@H]1C[NH2+]C[C@H]1Nc1cc[nH+]c(N2CCOCC2)c1 ZINC001170774202 820318037 /nfs/dbraw/zinc/31/80/37/820318037.db2.gz AJVDQRAJEZAOOX-DGCLKSJQSA-N 2 0 278.356 -0.090 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@@H]1Nc1ccc(N2CC[NH2+]CC2)nc1 ZINC001170777889 820320136 /nfs/dbraw/zinc/32/01/36/820320136.db2.gz FPQUBTBOGUHRJI-AAEUAGOBSA-N 2 0 277.372 -0.517 20 0 CBADRP OC[C@H]1C[NH2+]C[C@@H]1Nc1ccc(N2CC[NH2+]CC2)nc1 ZINC001170777892 820320569 /nfs/dbraw/zinc/32/05/69/820320569.db2.gz FPQUBTBOGUHRJI-YPMHNXCESA-N 2 0 277.372 -0.517 20 0 CBADRP CC[C@@]([NH3+])(CO)Nc1ccc(N2CC[NH2+][C@H](C)C2)nn1 ZINC001170856785 820327629 /nfs/dbraw/zinc/32/76/29/820327629.db2.gz AITHLKZYICWVNH-MFKMUULPSA-N 2 0 280.376 -0.256 20 0 CBADRP C[C@]1(c2cccnc2N[C@H]([NH3+])CCC[NH3+])NC(=O)NC1=O ZINC001170897876 820332106 /nfs/dbraw/zinc/33/21/06/820332106.db2.gz PRFLCPHWJUZAEH-TVQRCGJNSA-N 2 0 292.343 -0.428 20 0 CBADRP COc1nc(N[C@@H]([NH3+])CCC[NH3+])nc2nc[nH]c21 ZINC001170896539 820333136 /nfs/dbraw/zinc/33/31/36/820333136.db2.gz 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Cn1nnnc1C[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171218612 820352434 /nfs/dbraw/zinc/35/24/34/820352434.db2.gz QHPFHCZAZFYVCD-NSHDSACASA-N 2 0 295.391 -0.852 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303664 820357685 /nfs/dbraw/zinc/35/76/85/820357685.db2.gz VVTLVSOACXFIRW-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NCC ZINC001171724998 820369357 /nfs/dbraw/zinc/36/93/57/820369357.db2.gz CJDCQBCBJAXFLS-UHFFFAOYSA-N 2 0 286.420 -0.050 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C ZINC001171762350 820369403 /nfs/dbraw/zinc/36/94/03/820369403.db2.gz AGXQMYADKPYHQQ-GFCCVEGCSA-N 2 0 286.420 -0.099 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CCOCCO ZINC001171725462 820370447 /nfs/dbraw/zinc/37/04/47/820370447.db2.gz LNVWHMIIBMDWGA-UHFFFAOYSA-N 2 0 289.420 -0.177 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CCn1cncn1 ZINC001171762373 820370527 /nfs/dbraw/zinc/37/05/27/820370527.db2.gz BMNWSFDREINHIS-UHFFFAOYSA-N 2 0 282.392 -0.284 20 0 CBADRP [NH3+]CCN1CC[NH+]([C@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172005917 820373821 /nfs/dbraw/zinc/37/38/21/820373821.db2.gz PWWZGGMFTYWGFM-ZDUSSCGKSA-N 2 0 266.389 -0.284 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172005962 820373898 /nfs/dbraw/zinc/37/38/98/820373898.db2.gz BQIPUEPYFHEMFN-YPMHNXCESA-N 2 0 296.415 -0.027 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCN2CC[NH+](C)CC2)CC1=O ZINC001172020581 820376687 /nfs/dbraw/zinc/37/66/87/820376687.db2.gz JLTZMHWLAUESAS-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP CCN1CC[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CC1=O ZINC001172032837 820377311 /nfs/dbraw/zinc/37/73/11/820377311.db2.gz SEWGHEPNSNBXMD-JTQLQIEISA-N 2 0 288.352 -0.865 20 0 CBADRP CCN1CC[C@H]([NH+]2CCN(CC[NH3+])CC2)CC1=O ZINC001172025083 820378375 /nfs/dbraw/zinc/37/83/75/820378375.db2.gz BUNCNZLGXOFWSW-LBPRGKRZSA-N 2 0 254.378 -0.426 20 0 CBADRP CN1[C@H]2COC[C@@H]1CC([NH+]1CC(N3CC[NH+](C)CC3)C1)C2 ZINC001172142438 820384336 /nfs/dbraw/zinc/38/43/36/820384336.db2.gz HSKOYDIGDMSHLY-GOOCMWNKSA-N 2 0 294.443 -0.220 20 0 CBADRP [NH3+]CCN(CC[NH2+]C1C[C@@H]2C=C[C@H](C1)O2)N(O)N=O ZINC001172236306 820393883 /nfs/dbraw/zinc/39/38/83/820393883.db2.gz KDCDCZZXSPVBMK-FGWVZKOKSA-N 2 0 271.321 -0.390 20 0 CBADRP CC(C)(C)OC(=O)CN1CCC([NH2+]C[C@H](O)C[NH3+])CC1 ZINC001172882981 820397874 /nfs/dbraw/zinc/39/78/74/820397874.db2.gz HSBRNOKLIUODLE-GFCCVEGCSA-N 2 0 287.404 -0.298 20 0 CBADRP CC[N@@H+]1CC[C@@H](NCCC[NH+](CCO)CCO)C1 ZINC001173350510 820400327 /nfs/dbraw/zinc/40/03/27/820400327.db2.gz PFJPURIZXVFOHV-CYBMUJFWSA-N 2 0 259.394 -0.653 20 0 CBADRP [NH3+]CCOCC[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173743065 820410341 /nfs/dbraw/zinc/41/03/41/820410341.db2.gz PLBQQIJVYFAELN-QWRGUYRKSA-N 2 0 254.338 -0.278 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176072311 820437854 /nfs/dbraw/zinc/43/78/54/820437854.db2.gz PEQCQQAFYNFDAC-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1)c1nnnn1C ZINC001176058615 820437869 /nfs/dbraw/zinc/43/78/69/820437869.db2.gz YYHVWDJDBIIIDU-MNOVXSKESA-N 2 0 295.391 -0.681 20 0 CBADRP Cn1cncc1C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176071837 820438386 /nfs/dbraw/zinc/43/83/86/820438386.db2.gz IZEABAHREKXRGN-GFCCVEGCSA-N 2 0 279.388 -0.032 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)C1 ZINC001176072351 820438664 /nfs/dbraw/zinc/43/86/64/820438664.db2.gz QHUUTZZJJQCSNC-NSHDSACASA-N 2 0 291.417 -0.921 20 0 CBADRP CCCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176071604 820438726 /nfs/dbraw/zinc/43/87/26/820438726.db2.gz GQSIGTKYCVLIOV-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP CCn1nncc1C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176103040 820441206 /nfs/dbraw/zinc/44/12/06/820441206.db2.gz OJWOBSVMBCURSF-UHFFFAOYSA-N 2 0 294.403 -0.010 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176102576 820441729 /nfs/dbraw/zinc/44/17/29/820441729.db2.gz HTPRWXUHYRPURE-LBPRGKRZSA-N 2 0 273.377 -0.815 20 0 CBADRP COCC[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176161011 820442680 /nfs/dbraw/zinc/44/26/80/820442680.db2.gz LKRONEUJAAMQBM-CYBMUJFWSA-N 2 0 287.404 -0.303 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH2+]CC(N)=O ZINC001176845137 820466777 /nfs/dbraw/zinc/46/67/77/820466777.db2.gz PTNWUUNSJKOVLJ-PHIMTYICSA-N 2 0 270.377 -0.560 20 0 CBADRP NC(=O)C[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884731 820475518 /nfs/dbraw/zinc/47/55/18/820475518.db2.gz QTEDWNCTZMZJIY-UHFFFAOYSA-N 2 0 270.377 -0.556 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]Cc1nnnn1C ZINC001176980851 820485312 /nfs/dbraw/zinc/48/53/12/820485312.db2.gz SMVHUMPPAMTWMY-UHFFFAOYSA-N 2 0 283.380 -0.854 20 0 CBADRP CN(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])c1ccccn1 ZINC001177414280 820515452 /nfs/dbraw/zinc/51/54/52/820515452.db2.gz ZLIJDDYZTLVUEH-UHFFFAOYSA-N 2 0 278.360 -0.021 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001178527095 820587204 /nfs/dbraw/zinc/58/72/04/820587204.db2.gz JSRLSCDBIVFCHM-SNVBAGLBSA-N 2 0 283.376 -0.471 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CC(=O)N(C)C1 ZINC001178527090 820587796 /nfs/dbraw/zinc/58/77/96/820587796.db2.gz JSRLSCDBIVFCHM-JTQLQIEISA-N 2 0 283.376 -0.471 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001179337299 820625027 /nfs/dbraw/zinc/62/50/27/820625027.db2.gz MCGAIYRIFYOJMI-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP Cc1nccn1CC(=O)N1CC(NC2COC2)C1 ZINC001179462031 820629540 /nfs/dbraw/zinc/62/95/40/820629540.db2.gz SRYPVHIWYUFBEC-UHFFFAOYSA-N 2 0 250.302 -0.609 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179482477 820629676 /nfs/dbraw/zinc/62/96/76/820629676.db2.gz VCHRLCSCRIDQEG-AVGNSLFASA-N 2 0 287.404 -0.476 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C)C(N)=O ZINC001179481137 820630250 /nfs/dbraw/zinc/63/02/50/820630250.db2.gz CJJFKRIOEFWSGF-DCAQKATOSA-N 2 0 270.377 -0.609 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179472734 820630849 /nfs/dbraw/zinc/63/08/49/820630849.db2.gz VKOACPGFGAKGGJ-QWRGUYRKSA-N 2 0 270.377 -0.737 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)[C@@H]1C ZINC001179861186 820643162 /nfs/dbraw/zinc/64/31/62/820643162.db2.gz OWMDCJCQDHNSJC-RWMBFGLXSA-N 2 0 296.415 -0.204 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001179979149 820647277 /nfs/dbraw/zinc/64/72/77/820647277.db2.gz RUFAAQYLRIYMLR-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124240 820650499 /nfs/dbraw/zinc/65/04/99/820650499.db2.gz GMSIVRYMPDBUFK-XQQFMLRXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001180124608 820650847 /nfs/dbraw/zinc/65/08/47/820650847.db2.gz KPJSOVAEOUGOMR-XQQFMLRXSA-N 2 0 296.415 -0.395 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)[C@@H]1C ZINC001180226628 820655405 /nfs/dbraw/zinc/65/54/05/820655405.db2.gz DIKONGKOLNMGIQ-AVGNSLFASA-N 2 0 296.415 -0.206 20 0 CBADRP C[C@@H](C(=O)N(CC[NH3+])S(C)(=O)=O)[NH+]1CCCC1 ZINC001180575583 820695879 /nfs/dbraw/zinc/69/58/79/820695879.db2.gz HSHJSFDKCPDHEP-VIFPVBQESA-N 2 0 263.363 -0.782 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182017559 820850638 /nfs/dbraw/zinc/85/06/38/820850638.db2.gz LVUCNMVRDFVKBC-LLVKDONJSA-N 3 0 267.377 -0.211 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001182034851 820855346 /nfs/dbraw/zinc/85/53/46/820855346.db2.gz WKBJZKKGXCSYIC-TZMCWYRMSA-N 2 0 281.400 -0.147 20 0 CBADRP C[NH+]1CCC(O)(C(=O)n2ccc(C[NH3+])cc2=N)CC1 ZINC001182033147 820856978 /nfs/dbraw/zinc/85/69/78/820856978.db2.gz MEZUEXJLXNCPQP-UHFFFAOYSA-N 2 0 264.329 -0.477 20 0 CBADRP C[NH+]1CCC(O)(C(=O)Nc2cccnc2C[NH3+])CC1 ZINC001182036352 820857676 /nfs/dbraw/zinc/85/76/76/820857676.db2.gz QVPJDOJALBLTOT-UHFFFAOYSA-N 2 0 264.329 -0.065 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001182377281 820904676 /nfs/dbraw/zinc/90/46/76/820904676.db2.gz PSHYXHHJXIHSGI-OLZOCXBDSA-N 2 0 298.431 -0.160 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1C[C@@H]1C(N)=O ZINC001182391303 820912541 /nfs/dbraw/zinc/91/25/41/820912541.db2.gz NHQYHKWDTHFYIG-IUCAKERBSA-N 2 0 269.349 -0.828 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182473056 820922293 /nfs/dbraw/zinc/92/22/93/820922293.db2.gz NRONAPNZQCLWPX-OLZOCXBDSA-N 2 0 296.415 -0.204 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001182553458 820928215 /nfs/dbraw/zinc/92/82/15/820928215.db2.gz BCXYOBMTUOEKNC-NSHDSACASA-N 2 0 289.401 -0.392 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)Cc1cn2cccnc2n1 ZINC001182746929 820940269 /nfs/dbraw/zinc/94/02/69/820940269.db2.gz BDKZVZFQIUSMAT-UHFFFAOYSA-N 2 0 289.343 -0.267 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCO)C[C@H]21 ZINC001189923640 823789684 /nfs/dbraw/zinc/78/96/84/823789684.db2.gz UUSIOFFTOCKLQO-QWHCGFSZSA-N 2 0 269.389 -0.147 20 0 CBADRP CCOC(=O)C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+] ZINC001183253380 820984704 /nfs/dbraw/zinc/98/47/04/820984704.db2.gz DQYJMNKOHNJHKB-UHFFFAOYSA-N 2 0 258.322 -0.387 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183267258 820985752 /nfs/dbraw/zinc/98/57/52/820985752.db2.gz KXTKSOXMDMKGTP-OCCSQVGLSA-N 2 0 296.415 -0.395 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183266872 820986089 /nfs/dbraw/zinc/98/60/89/820986089.db2.gz HERHTHYQKUCKDF-MCIONIFRSA-N 2 0 299.415 -0.476 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@H](O)COC)C1)[NH+](C)C ZINC001183580991 821006791 /nfs/dbraw/zinc/00/67/91/821006791.db2.gz CEERSULUDJUWBI-FRRDWIJNSA-N 2 0 287.404 -0.476 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1)[NH+](C)C ZINC001183582378 821008076 /nfs/dbraw/zinc/00/80/76/821008076.db2.gz WVAJZDQJMGRSTP-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001183647433 821012367 /nfs/dbraw/zinc/01/23/67/821012367.db2.gz HRMLDZSJYQDNSX-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC1(C)OCC(C(=O)N(CCCC[NH3+])C(N)=[NH2+])CO1 ZINC001184456126 821076564 /nfs/dbraw/zinc/07/65/64/821076564.db2.gz AGOLVAACNJMWSH-UHFFFAOYSA-N 2 0 272.349 -0.154 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001185258704 821113770 /nfs/dbraw/zinc/11/37/70/821113770.db2.gz YORVMJGJXPKJES-VNHYZAJKSA-N 2 0 280.416 -0.358 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC001185261773 821114911 /nfs/dbraw/zinc/11/49/11/821114911.db2.gz HMWHMMGOJZJPDW-RYUDHWBXSA-N 2 0 254.378 -0.557 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC([NH+](C)[C@H]2CCOC2)C1 ZINC001185258420 821115436 /nfs/dbraw/zinc/11/54/36/821115436.db2.gz SPJOEIMQPFANSN-JSGCOSHPSA-N 2 0 296.415 -0.836 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)NCC[C@@H]1CCC[NH+]1C ZINC001185262389 821117569 /nfs/dbraw/zinc/11/75/69/821117569.db2.gz NKWZUDFSSTWHCG-QWHCGFSZSA-N 2 0 268.405 -0.167 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001185348067 821124716 /nfs/dbraw/zinc/12/47/16/821124716.db2.gz NPFAHUFKRKMGBO-OLZOCXBDSA-N 2 0 298.431 -0.112 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001185408004 821128602 /nfs/dbraw/zinc/12/86/02/821128602.db2.gz JSNZNLJXYKRURS-GFCCVEGCSA-N 2 0 273.377 -0.863 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001185408768 821129076 /nfs/dbraw/zinc/12/90/76/821129076.db2.gz YKUSKMWBOYDLBN-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185408661 821129480 /nfs/dbraw/zinc/12/94/80/821129480.db2.gz VHCSRJGQXVACKX-LLVKDONJSA-N 2 0 270.377 -0.783 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001185546819 821135352 /nfs/dbraw/zinc/13/53/52/821135352.db2.gz DNJHDUSQFYOHRA-STQMWFEESA-N 2 0 298.431 -0.112 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001185659314 821138509 /nfs/dbraw/zinc/13/85/09/821138509.db2.gz GVMMOZGLSAARPR-MJBXVCDLSA-N 2 0 299.415 -0.474 20 0 CBADRP COC(=O)[C@H]1CC[N@H+](CC(=O)n2ccc(C[NH3+])cc2=N)C1 ZINC001186116206 821172456 /nfs/dbraw/zinc/17/24/56/821172456.db2.gz UWCNHXXKBFDPST-NSHDSACASA-N 2 0 292.339 -0.439 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001186459020 821183979 /nfs/dbraw/zinc/18/39/79/821183979.db2.gz STGQQPPAJCNAGC-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1)C(N)=O ZINC001186834889 821200874 /nfs/dbraw/zinc/20/08/74/821200874.db2.gz VOTSNEPXYFEPHN-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187106567 821212523 /nfs/dbraw/zinc/21/25/23/821212523.db2.gz KBAPQUQVEHKIGT-BFHYXJOUSA-N 2 0 299.415 -0.474 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187106096 821213313 /nfs/dbraw/zinc/21/33/13/821213313.db2.gz BFIHCTXDWLXBGL-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](C)N1CCOCC1 ZINC001187177030 821216896 /nfs/dbraw/zinc/21/68/96/821216896.db2.gz XYDFNVCISMOIIK-LBPRGKRZSA-N 2 0 299.419 -0.229 20 0 CBADRP O=C(C[NH+]1CCCC1)N(CCO)CC[NH2+]CCF ZINC001279901585 828340866 /nfs/dbraw/zinc/34/08/66/828340866.db2.gz JSNSGOQJVKSEPP-UHFFFAOYSA-N 2 0 261.341 -0.538 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+]C[C@@H]2CCOC2)C1 ZINC001279900969 828341944 /nfs/dbraw/zinc/34/19/44/828341944.db2.gz BAZBWZOREAGLSL-KBPBESRZSA-N 2 0 299.415 -0.615 20 0 CBADRP C[NH+](C)CCC(=O)NCC1([NH2+]CCCO)CCC1 ZINC001280502698 828356282 /nfs/dbraw/zinc/35/62/82/828356282.db2.gz YIBIQTLKHHOFMQ-UHFFFAOYSA-N 2 0 257.378 -0.051 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001187291141 822264127 /nfs/dbraw/zinc/26/41/27/822264127.db2.gz KCZMQAGDNXQERQ-SNVBAGLBSA-N 2 0 256.350 -0.996 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001187825691 822297788 /nfs/dbraw/zinc/29/77/88/822297788.db2.gz RJFXPBNUOCFVNY-VXGBXAGGSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001187850983 822300090 /nfs/dbraw/zinc/30/00/90/822300090.db2.gz KFAGIQKQMJTVGX-ZIAGYGMSSA-N 2 0 299.415 -0.472 20 0 CBADRP COCCn1nccc1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001187867160 822304517 /nfs/dbraw/zinc/30/45/17/822304517.db2.gz MEZKTSSUYVMVKY-UHFFFAOYSA-N 2 0 282.348 -0.396 20 0 CBADRP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]CCO ZINC001282141510 828436415 /nfs/dbraw/zinc/43/64/15/828436415.db2.gz OKLXOUARIZVQEK-QWRGUYRKSA-N 2 0 257.378 -0.054 20 0 CBADRP C[C@@H]([NH2+]CCO)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001282141509 828436564 /nfs/dbraw/zinc/43/65/64/828436564.db2.gz OKLXOUARIZVQEK-MNOVXSKESA-N 2 0 257.378 -0.054 20 0 CBADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)CCO ZINC001282460826 828449218 /nfs/dbraw/zinc/44/92/18/828449218.db2.gz HAOXKYKMJWPGBS-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP CCOCC[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001283769790 828546194 /nfs/dbraw/zinc/54/61/94/828546194.db2.gz GFQNHBUDEZAGPF-CYBMUJFWSA-N 2 0 299.415 -0.282 20 0 CBADRP CCC[NH2+][C@H](CO)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001283822833 828553245 /nfs/dbraw/zinc/55/32/45/828553245.db2.gz CWSRTUAZGDJUBQ-JSGCOSHPSA-N 2 0 269.389 -0.051 20 0 CBADRP CC(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001283827945 828554551 /nfs/dbraw/zinc/55/45/51/828554551.db2.gz VRGWYHJNMHPHOD-NWDGAFQWSA-N 2 0 257.378 -0.339 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189054556 823731869 /nfs/dbraw/zinc/73/18/69/823731869.db2.gz FWHWQPAYCWCMAI-YNEHKIRRSA-N 2 0 296.415 -0.265 20 0 CBADRP COc1cc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])nc(OC)n1 ZINC001189099595 823735302 /nfs/dbraw/zinc/73/53/02/823735302.db2.gz VHVGVXFDFBLCGN-UHFFFAOYSA-N 2 0 296.331 -0.432 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1c[nH]c(=O)[nH]1 ZINC001189559176 823767752 /nfs/dbraw/zinc/76/77/52/823767752.db2.gz TXAZWLOFMOSNAP-UHFFFAOYSA-N 2 0 268.321 -0.207 20 0 CBADRP COC(=O)c1ccncc1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001189807143 823775429 /nfs/dbraw/zinc/77/54/29/823775429.db2.gz JFTDJUCNMKWWJN-UHFFFAOYSA-N 2 0 293.327 -0.057 20 0 CBADRP CN(C)c1ncc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cn1 ZINC001189851740 823779533 /nfs/dbraw/zinc/77/95/33/823779533.db2.gz PPHZNAPUXUPNQZ-UHFFFAOYSA-N 2 0 279.348 -0.383 20 0 CBADRP COC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191728482 823919760 /nfs/dbraw/zinc/91/97/60/823919760.db2.gz ZLGGOPJJKIVEHO-MELADBBJSA-N 2 0 299.415 -0.379 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCNC2=O)C1 ZINC001192038867 823944249 /nfs/dbraw/zinc/94/42/49/823944249.db2.gz TXJOJLABAFQZOL-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CCCO)C1 ZINC001192151682 823953685 /nfs/dbraw/zinc/95/36/85/823953685.db2.gz BQUYGPYBMBYZHK-GFCCVEGCSA-N 2 0 257.378 -0.147 20 0 CBADRP C[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192172158 823956419 /nfs/dbraw/zinc/95/64/19/823956419.db2.gz ZQWXMYDOERPPOT-RYUDHWBXSA-N 2 0 257.378 -0.148 20 0 CBADRP COC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170352 823956848 /nfs/dbraw/zinc/95/68/48/823956848.db2.gz JLSUILWDJZVUPD-OLZOCXBDSA-N 2 0 287.404 -0.522 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H](N(C)CC(=O)NC)C1)[NH+](C)C ZINC001192387748 823963932 /nfs/dbraw/zinc/96/39/32/823963932.db2.gz YQVFVGMBGIQCQI-RYUDHWBXSA-N 2 0 284.404 -0.395 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H](N(C)CC(=O)N(C)C)C1 ZINC001192961424 823993861 /nfs/dbraw/zinc/99/38/61/823993861.db2.gz YCUSOMAMORSOAJ-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP CN(C[C@@H](O)C[NH2+]CC1CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001284468890 828599579 /nfs/dbraw/zinc/59/95/79/828599579.db2.gz OZOOZMNIDHNNTP-STQMWFEESA-N 2 0 269.389 -0.243 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CC)C[C@H]1O ZINC001193455982 824028847 /nfs/dbraw/zinc/02/88/47/824028847.db2.gz JPKAQWXXYAMAFE-QJPTWQEYSA-N 2 0 275.368 -0.153 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@@H]2CCNC2=O)C1 ZINC001193630155 824040989 /nfs/dbraw/zinc/04/09/89/824040989.db2.gz GBBHGRSCPSPHGL-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774324 824045133 /nfs/dbraw/zinc/04/51/33/824045133.db2.gz MEGWZZNEZKICLH-CHWSQXEVSA-N 2 0 299.415 -0.332 20 0 CBADRP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193804613 824046690 /nfs/dbraw/zinc/04/66/90/824046690.db2.gz BLNSXVJGZIXZGU-CHWSQXEVSA-N 2 0 285.388 -0.722 20 0 CBADRP CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194002608 824055579 /nfs/dbraw/zinc/05/55/79/824055579.db2.gz VLBRPWMWLNSUFW-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP C[N@H+](CCCO)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194011069 824056815 /nfs/dbraw/zinc/05/68/15/824056815.db2.gz OAZSRXFEJOOZMW-OLZOCXBDSA-N 2 0 269.389 -0.147 20 0 CBADRP CNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194296035 824069239 /nfs/dbraw/zinc/06/92/39/824069239.db2.gz UTMYEGKJWWQVMD-QWHCGFSZSA-N 2 0 298.431 -0.006 20 0 CBADRP COCCn1cnc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c1 ZINC001194671880 824083745 /nfs/dbraw/zinc/08/37/45/824083745.db2.gz HRBPUWHOIBYPGE-UHFFFAOYSA-N 2 0 282.348 -0.396 20 0 CBADRP COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708196 824129332 /nfs/dbraw/zinc/12/93/32/824129332.db2.gz HRUYYUGHLRCKBZ-JHJVBQTASA-N 2 0 287.404 -0.476 20 0 CBADRP C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860203 824135504 /nfs/dbraw/zinc/13/55/04/824135504.db2.gz TZEXBGFUPKRZPY-JHJVBQTASA-N 2 0 287.404 -0.740 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001195860313 824135757 /nfs/dbraw/zinc/13/57/57/824135757.db2.gz VJFPIXXYJGCHRA-BFHYXJOUSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O ZINC001195859984 824135825 /nfs/dbraw/zinc/13/58/25/824135825.db2.gz QLOLOAJPRWEAPX-CHWSQXEVSA-N 2 0 269.389 -0.101 20 0 CBADRP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871976 824135868 /nfs/dbraw/zinc/13/58/68/824135868.db2.gz VKSWVZZOPXJYFV-VXGBXAGGSA-N 2 0 273.377 -0.864 20 0 CBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001196169097 824150883 /nfs/dbraw/zinc/15/08/83/824150883.db2.gz OFJCDCZMBZYBND-BFHYXJOUSA-N 2 0 299.415 -0.474 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccnc(CO)c1 ZINC001196240997 824155143 /nfs/dbraw/zinc/15/51/43/824155143.db2.gz SJGXCXMOLKALNX-UHFFFAOYSA-N 2 0 265.317 -0.352 20 0 CBADRP CNC(=O)CN1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196943656 824173152 /nfs/dbraw/zinc/17/31/52/824173152.db2.gz SMMAXOYQNCTZMA-UHFFFAOYSA-N 2 0 296.415 -0.392 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[N@H+](CCOCCO)CC1 ZINC001197044541 824176541 /nfs/dbraw/zinc/17/65/41/824176541.db2.gz SVJRSIIXEIUOKX-UHFFFAOYSA-N 2 0 287.404 -0.519 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)COC)C[C@H]1O ZINC001197493317 824193674 /nfs/dbraw/zinc/19/36/74/824193674.db2.gz IDRQJXIOGRBCGJ-YNEHKIRRSA-N 2 0 287.404 -0.476 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCCN([C@@H]2CCNC2=O)CC1 ZINC001197705651 824198476 /nfs/dbraw/zinc/19/84/76/824198476.db2.gz CADNWXXAVXLFSK-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197948043 824209561 /nfs/dbraw/zinc/20/95/61/824209561.db2.gz DOYOSURYVMOCSI-JHJVBQTASA-N 2 0 287.404 -0.740 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197948045 824210759 /nfs/dbraw/zinc/21/07/59/824210759.db2.gz DOYOSURYVMOCSI-YNEHKIRRSA-N 2 0 287.404 -0.740 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001198098215 824218163 /nfs/dbraw/zinc/21/81/63/824218163.db2.gz RMVXQWVNRSMYDI-AWEZNQCLSA-N 2 0 299.415 -0.376 20 0 CBADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001198744768 824237710 /nfs/dbraw/zinc/23/77/10/824237710.db2.gz ZQDGWUJQTHBWCV-ZIAGYGMSSA-N 2 0 299.415 -0.594 20 0 CBADRP COCNC(=S)N(CC[NH+](C)C)CC[NH+](C)C ZINC001198822420 824241499 /nfs/dbraw/zinc/24/14/99/824241499.db2.gz AFDUSKKQWLECGJ-UHFFFAOYSA-N 2 0 262.423 -0.110 20 0 CBADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001199057972 824247225 /nfs/dbraw/zinc/24/72/25/824247225.db2.gz YTTLANMQDPLSKK-CHWSQXEVSA-N 2 0 285.388 -0.984 20 0 CBADRP COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199095894 824247736 /nfs/dbraw/zinc/24/77/36/824247736.db2.gz MNHNLLYXFCWOJS-JHJVBQTASA-N 2 0 287.404 -0.477 20 0 CBADRP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199103660 824248875 /nfs/dbraw/zinc/24/88/75/824248875.db2.gz BJUDGWVJQJPZRK-VXGBXAGGSA-N 2 0 257.378 -0.102 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCF)C[C@H]1O ZINC001199104635 824249734 /nfs/dbraw/zinc/24/97/34/824249734.db2.gz PVULCFHTXKGPGU-VXGBXAGGSA-N 2 0 275.368 -0.153 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC2CC2)C[C@H]1O ZINC001199103740 824250115 /nfs/dbraw/zinc/25/01/15/824250115.db2.gz CGQHPEOMFFLAMR-CHWSQXEVSA-N 2 0 269.389 -0.102 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccc(O)c(=O)[nH]1 ZINC001199199533 824253648 /nfs/dbraw/zinc/25/36/48/824253648.db2.gz JHQZGDROKPFGOE-UHFFFAOYSA-N 2 0 267.289 -0.433 20 0 CBADRP COC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001199943253 824297618 /nfs/dbraw/zinc/29/76/18/824297618.db2.gz GOZBNXMDGKIWSA-OCCSQVGLSA-N 2 0 299.415 -0.068 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)CC[N@@H+]1C ZINC001200546382 824321588 /nfs/dbraw/zinc/32/15/88/824321588.db2.gz CQXVBIGSSCLFRW-HZSPNIEDSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001201259894 824330461 /nfs/dbraw/zinc/33/04/61/824330461.db2.gz DZJFAEWZASSHNX-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP O=C(N1CCCO[C@@H](C[NH2+]CCO)C1)C12CC[NH+](CC1)C2 ZINC001201873575 824337863 /nfs/dbraw/zinc/33/78/63/824337863.db2.gz XMOMDDVVGSXVMY-ZDUSSCGKSA-N 2 0 297.399 -0.718 20 0 CBADRP C[C@@H]([NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1)C(N)=O ZINC001202231139 824343027 /nfs/dbraw/zinc/34/30/27/824343027.db2.gz BBHHBVZZVXIRIV-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]([NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1)C(N)=O ZINC001202316202 824346667 /nfs/dbraw/zinc/34/66/67/824346667.db2.gz QTUMIFRBDWEBFD-JTQLQIEISA-N 2 0 270.377 -0.608 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC([NH2+]CC(=O)NC2CC2)CC1 ZINC001202316042 824346674 /nfs/dbraw/zinc/34/66/74/824346674.db2.gz KPJZKEAEUJXJKL-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cn(CC(N)=O)nn2)C1 ZINC001202750510 824351444 /nfs/dbraw/zinc/35/14/44/824351444.db2.gz UFPOMWVQAAKZGF-LLVKDONJSA-N 2 0 280.376 -0.415 20 0 CBADRP CN(C)C(=O)CN1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001203022445 824358045 /nfs/dbraw/zinc/35/80/45/824358045.db2.gz YKHPSNCRHWRPCE-LLVKDONJSA-N 2 0 270.377 -0.783 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203351763 824361567 /nfs/dbraw/zinc/36/15/67/824361567.db2.gz ZLVHPIMSNDBHQS-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP [NH3+]C[C@]1(O)CCC[N@H+](CCN2CCOCC2)CC1 ZINC001205211451 824375716 /nfs/dbraw/zinc/37/57/16/824375716.db2.gz UUSOVRUBGSEJMG-ZDUSSCGKSA-N 2 0 257.378 -0.506 20 0 CBADRP N[C@H]1NC(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)=CS1 ZINC001205209385 824376004 /nfs/dbraw/zinc/37/60/04/824376004.db2.gz IZGJCKSZKYJHRQ-WDEREUQCSA-N 2 0 258.391 -0.418 20 0 CBADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(=O)[nH]n2)CC1 ZINC001205242206 824376507 /nfs/dbraw/zinc/37/65/07/824376507.db2.gz XSBIEKDLFPOQIT-GFCCVEGCSA-N 2 0 252.318 -0.142 20 0 CBADRP COC(=O)c1cnc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)cn1 ZINC001205231589 824376812 /nfs/dbraw/zinc/37/68/12/824376812.db2.gz ZZSKEBRYQBFQTD-CQSZACIVSA-N 2 0 294.355 -0.061 20 0 CBADRP [NH3+]C[C@]1(O)CCCCN(Cc2cnc3n2CC[NH2+]CC3)C1 ZINC001205671380 824380390 /nfs/dbraw/zinc/38/03/90/824380390.db2.gz AWDVKJCMELBFIX-OAHLLOKOSA-N 2 0 293.415 -0.296 20 0 CBADRP C[C@@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CCC[C@@H]1C[NH3+] ZINC001206012756 824392028 /nfs/dbraw/zinc/39/20/28/824392028.db2.gz NLNAIGZITNQOOI-VXGBXAGGSA-N 2 0 294.399 -0.109 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]CC(N)=O)CC2)C1 ZINC001206274575 824396408 /nfs/dbraw/zinc/39/64/08/824396408.db2.gz JTOJYKUQTYDZKL-LBPRGKRZSA-N 2 0 296.415 -0.358 20 0 CBADRP [NH3+][C@@H]1C[C@H](F)CN(Cc2cnc3n2CC[NH2+]CC3)C1 ZINC001206414718 824399558 /nfs/dbraw/zinc/39/95/58/824399558.db2.gz PFDUDKSUZSQDTO-WDEREUQCSA-N 2 0 267.352 -0.100 20 0 CBADRP CS(=O)(=O)Nc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206480639 824400768 /nfs/dbraw/zinc/40/07/68/824400768.db2.gz GOFOATLDAONOHZ-WCQYABFASA-N 2 0 299.396 -0.191 20 0 CBADRP CC(=O)N1CCC(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001206512130 824401828 /nfs/dbraw/zinc/40/18/28/824401828.db2.gz JEJNPIWJXHCQJN-STQMWFEESA-N 2 0 255.362 -0.504 20 0 CBADRP C[C@H]1CNCC(F)(F)[C@H]1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206511807 824401982 /nfs/dbraw/zinc/40/19/82/824401982.db2.gz CCNQUQABKPVGPQ-NAKRPEOUSA-N 2 0 263.332 -0.271 20 0 CBADRP Cn1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c(=O)n(C)c1=O ZINC001206633086 824404520 /nfs/dbraw/zinc/40/45/20/824404520.db2.gz SQZZUZJSPWIFEC-NSHDSACASA-N 2 0 280.372 -0.355 20 0 CBADRP NC(=O)C[NH2+]CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001206874919 824408070 /nfs/dbraw/zinc/40/80/70/824408070.db2.gz NVOBMNCHKFZILQ-UHFFFAOYSA-N 2 0 294.399 -0.604 20 0 CBADRP C[NH+](C)CCOCC(=O)N1CCC(C[NH2+]CCO)CC1 ZINC001206872408 824408422 /nfs/dbraw/zinc/40/84/22/824408422.db2.gz CJALFZLQTBRHJV-UHFFFAOYSA-N 2 0 287.404 -0.615 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]CC(N)=O)CC2)C1 ZINC001206928685 824412654 /nfs/dbraw/zinc/41/26/54/824412654.db2.gz FGKGSKXZHBIRRE-LBPRGKRZSA-N 2 0 282.388 -0.748 20 0 CBADRP C[C@H]([NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001206929213 824413177 /nfs/dbraw/zinc/41/31/77/824413177.db2.gz ZOHFIRSQJIVRAT-AAEUAGOBSA-N 2 0 296.415 -0.360 20 0 CBADRP CNC(=O)CN1CCO[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC001207435835 824427792 /nfs/dbraw/zinc/42/77/92/824427792.db2.gz XCYZHSVOPZOGBL-KGLIPLIRSA-N 2 0 296.415 -0.883 20 0 CBADRP CC(=O)N1CC(=O)NC[C@]12CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207437115 824427844 /nfs/dbraw/zinc/42/78/44/824427844.db2.gz OWSJXSZNMLMZHH-HNNXBMFYSA-N 2 0 294.399 -0.591 20 0 CBADRP C[NH+]1CCC(CC[N@@H+]2CCO[C@H](C(N)=O)C2)CC1 ZINC001207486291 824428887 /nfs/dbraw/zinc/42/88/87/824428887.db2.gz FVISDDUKWBCHAF-LBPRGKRZSA-N 2 0 255.362 -0.096 20 0 CBADRP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001208307002 824451164 /nfs/dbraw/zinc/45/11/64/824451164.db2.gz SLXVBEBYAVCAGZ-AAVRWANBSA-N 2 0 299.415 -0.476 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001208414454 824451402 /nfs/dbraw/zinc/45/14/02/824451402.db2.gz QITOWLGCYSGPHH-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208495913 824454532 /nfs/dbraw/zinc/45/45/32/824454532.db2.gz CJMYLCIEUSCNKO-JHJVBQTASA-N 2 0 296.415 -0.395 20 0 CBADRP C[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208495965 824455359 /nfs/dbraw/zinc/45/53/59/824455359.db2.gz FDVJJURINQCWOY-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP CC[NH+]1CCC(C[N@@H+]2CCO[C@H](C(N)=O)C2)CC1 ZINC001208597697 824456676 /nfs/dbraw/zinc/45/66/76/824456676.db2.gz KXJYVUKVVVAXHF-LBPRGKRZSA-N 2 0 255.362 -0.096 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001208992957 824461114 /nfs/dbraw/zinc/46/11/14/824461114.db2.gz FCCUDBWCQZPXNX-MGPQQGTHSA-N 2 0 299.415 -0.332 20 0 CBADRP C[NH+](C)CCCN1CC[NH+](CCN2CCOCC2)CC1 ZINC001209295557 824467243 /nfs/dbraw/zinc/46/72/43/824467243.db2.gz VTSAHADBMICDPA-UHFFFAOYSA-N 2 0 284.448 -0.112 20 0 CBADRP C[NH+](C)CCN(CCN1CCOCC1)CC[NH+](C)C ZINC001209292735 824467351 /nfs/dbraw/zinc/46/73/51/824467351.db2.gz XJVNQIUTCFOVDR-UHFFFAOYSA-N 2 0 272.437 -0.256 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001209303514 824468382 /nfs/dbraw/zinc/46/83/82/824468382.db2.gz KUAFPYVXFIYZOB-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001209322921 824468506 /nfs/dbraw/zinc/46/85/06/824468506.db2.gz BORMYRMSPDFPLZ-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001209454578 824471827 /nfs/dbraw/zinc/47/18/27/824471827.db2.gz MHKOOAWWOCFQDH-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001209455451 824471999 /nfs/dbraw/zinc/47/19/99/824471999.db2.gz SRGKJCJVVRCXMC-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP C[NH+](C)CCOCC(=O)N1CCC[C@@H]([NH2+]CCCO)C1 ZINC001210667856 824480417 /nfs/dbraw/zinc/48/04/17/824480417.db2.gz JCVXFVHISSTTBO-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210685373 824480606 /nfs/dbraw/zinc/48/06/06/824480606.db2.gz UPYMVIARHXIJOA-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP [NH3+]C[C@@H](O)c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001211418160 824484673 /nfs/dbraw/zinc/48/46/73/824484673.db2.gz SDRWSOKXHMDAIV-SNVBAGLBSA-N 2 0 261.285 -0.231 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001211757756 824488346 /nfs/dbraw/zinc/48/83/46/824488346.db2.gz ORTFCYOJSNQUKY-UWVGGRQHSA-N 2 0 286.339 -0.209 20 0 CBADRP CO[C@@H]1C[N@H+](CC2CC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728874 824514283 /nfs/dbraw/zinc/51/42/83/824514283.db2.gz XONKXLNSMBVILB-ZIAGYGMSSA-N 2 0 299.415 -0.210 20 0 CBADRP CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863728 824516339 /nfs/dbraw/zinc/51/63/39/824516339.db2.gz QZTHLXFUJMOXAH-MGPQQGTHSA-N 2 0 299.415 -0.210 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCOCCO ZINC001214335663 824528361 /nfs/dbraw/zinc/52/83/61/824528361.db2.gz FMDISISHKZFSFS-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC)C1 ZINC001214997926 824537763 /nfs/dbraw/zinc/53/77/63/824537763.db2.gz OLQDXFPZQVVTQA-VXGBXAGGSA-N 2 0 298.431 -0.101 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001215316664 824539428 /nfs/dbraw/zinc/53/94/28/824539428.db2.gz IEGVSXAUEWBFTE-XJFOESAGSA-N 2 0 299.415 -0.476 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001215460923 824541912 /nfs/dbraw/zinc/54/19/12/824541912.db2.gz JADLTQKHQUBRFW-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215461165 824542071 /nfs/dbraw/zinc/54/20/71/824542071.db2.gz UOWJMRYNJODNTP-IJLUTSLNSA-N 2 0 257.378 -0.245 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001215423294 824542431 /nfs/dbraw/zinc/54/24/31/824542431.db2.gz GBSJVEBKHYCLST-IJLUTSLNSA-N 2 0 284.404 -0.362 20 0 CBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC)C1 ZINC001215993885 824545055 /nfs/dbraw/zinc/54/50/55/824545055.db2.gz GUSDBQGFALXCEP-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP C1C[C@@H](c2nnc(C34C[NH2+]CC3C[NH2+]C4)o2)CO1 ZINC001217707859 824558958 /nfs/dbraw/zinc/55/89/58/824558958.db2.gz SSXUGBHTGBOZJZ-YDNLMGDJSA-N 2 0 250.302 -0.366 20 0 CBADRP C(O[C@@H]1COC2(C[NH2+]C2)C1)[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217793056 824560559 /nfs/dbraw/zinc/56/05/59/824560559.db2.gz LXYQSCXORSBSQD-NDBYEHHHSA-N 2 0 268.357 -0.099 20 0 CBADRP Cc1cnc(C)c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001218495323 824568538 /nfs/dbraw/zinc/56/85/38/824568538.db2.gz DLKDCXRNQVIHME-LBPRGKRZSA-N 2 0 292.387 -0.218 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ncccn1 ZINC001218495131 824568545 /nfs/dbraw/zinc/56/85/45/824568545.db2.gz KSXFAAOQYVUSPE-JTQLQIEISA-N 2 0 264.333 -0.835 20 0 CBADRP Cn1cnc(NC(=O)[C@H]([NH3+])CCC[NH3+])c2ncnc1-2 ZINC001218495257 824569604 /nfs/dbraw/zinc/56/96/04/824569604.db2.gz MDNVNEAGCXXBFJ-SSDOTTSWSA-N 2 0 263.305 -0.680 20 0 CBADRP Cc1cc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)n[nH]1 ZINC001218497615 824570618 /nfs/dbraw/zinc/57/06/18/824570618.db2.gz XRCZLOUPVJQYLV-SNVBAGLBSA-N 2 0 266.349 -0.593 20 0 CBADRP Cn1ccnc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218497933 824570661 /nfs/dbraw/zinc/57/06/61/824570661.db2.gz PIQKVDFCWHEDGB-JTQLQIEISA-N 2 0 266.349 -0.891 20 0 CBADRP Cc1cc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)n[nH]1 ZINC001218497602 824571124 /nfs/dbraw/zinc/57/11/24/824571124.db2.gz XRCZLOUPVJQYLV-JTQLQIEISA-N 2 0 266.349 -0.593 20 0 CBADRP COC(=O)c1ccc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cn1 ZINC001218508836 824575140 /nfs/dbraw/zinc/57/51/40/824575140.db2.gz FAVYJYNTAHUVCS-JTQLQIEISA-N 2 0 290.323 -0.384 20 0 CBADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H](N)CC[NH3+])nc2)CC1 ZINC001218515540 824578488 /nfs/dbraw/zinc/57/84/88/824578488.db2.gz IGOFUCCHTOTHMN-LBPRGKRZSA-N 2 0 292.387 -0.552 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1ncnc2n[nH]nc21 ZINC001218515956 824579004 /nfs/dbraw/zinc/57/90/04/824579004.db2.gz OZQLCVWJUIBOBQ-QMMMGPOBSA-N 2 0 292.347 -0.254 20 0 CBADRP COc1nc(Cl)cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001218518666 824580860 /nfs/dbraw/zinc/58/08/60/824580860.db2.gz ONDQVPRGFVXVSE-ZETCQYMHSA-N 2 0 297.746 -0.114 20 0 CBADRP Cc1cc(NC(=O)[C@H]([NH3+])CCC[NH3+])n2ncnc2n1 ZINC001218527940 824583737 /nfs/dbraw/zinc/58/37/37/824583737.db2.gz POQUBZXIQAATES-MRVPVSSYSA-N 2 0 263.305 -0.563 20 0 CBADRP COc1ccnc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001218528799 824583981 /nfs/dbraw/zinc/58/39/81/824583981.db2.gz SORUQSSFGAAMOR-SNVBAGLBSA-N 2 0 262.313 -0.162 20 0 CBADRP [NH3+][C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)sc2C1 ZINC001218532377 824585676 /nfs/dbraw/zinc/58/56/76/824585676.db2.gz GAVGGOYKKANZIW-ZKWXMUAHSA-N 2 0 282.369 -0.380 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)C1 ZINC001218532513 824585695 /nfs/dbraw/zinc/58/56/95/824585695.db2.gz FTBHNFTVJKHLLA-ZKWXMUAHSA-N 2 0 281.385 -0.413 20 0 CBADRP [NH3+][C@@H]1CCc2nc(NC(=O)CN3CC[NH2+]CC3)sc2C1 ZINC001218533681 824586219 /nfs/dbraw/zinc/58/62/19/824586219.db2.gz REMQYMGPKBWZIQ-SECBINFHSA-N 2 0 295.412 -0.197 20 0 CBADRP COc1cc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)ncn1 ZINC001218538536 824586981 /nfs/dbraw/zinc/58/69/81/824586981.db2.gz NRGLZVLRHALFMC-JTQLQIEISA-N 2 0 294.359 -0.826 20 0 CBADRP CCn1cc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cn1 ZINC001218544670 824588369 /nfs/dbraw/zinc/58/83/69/824588369.db2.gz BCCMKUFNWFOXSB-GFCCVEGCSA-N 2 0 280.376 -0.408 20 0 CBADRP Cn1ncc2c1ncnc2NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218557311 824590021 /nfs/dbraw/zinc/59/00/21/824590021.db2.gz NYVFJKCQVXJXRJ-QMMMGPOBSA-N 2 0 263.305 -0.632 20 0 CBADRP Cc1noc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c1C(N)=O ZINC001218551800 824590055 /nfs/dbraw/zinc/59/00/55/824590055.db2.gz VKZNOZVGYRYYSC-SECBINFHSA-N 2 0 281.316 -0.653 20 0 CBADRP Cn1ncc2c1ncnc2NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218557310 824590521 /nfs/dbraw/zinc/59/05/21/824590521.db2.gz NYVFJKCQVXJXRJ-MRVPVSSYSA-N 2 0 263.305 -0.632 20 0 CBADRP CCOC(=O)c1[nH]cnc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218559775 824591633 /nfs/dbraw/zinc/59/16/33/824591633.db2.gz PWXMFXCDFXCOLV-ZETCQYMHSA-N 2 0 269.305 -0.409 20 0 CBADRP O=C(Nc1ncnc2[nH]ccc21)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218560406 824592076 /nfs/dbraw/zinc/59/20/76/824592076.db2.gz YCEVXOIZTGBVII-VIFPVBQESA-N 2 0 272.312 -0.295 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1nccnc1N1CCOCC1 ZINC001218569948 824594329 /nfs/dbraw/zinc/59/43/29/824594329.db2.gz BUWQYFNZWNXLLJ-JTQLQIEISA-N 2 0 294.359 -0.682 20 0 CBADRP C[C@@H]([NH3+])C(=O)Nc1cnc(N2CCN(C)CC2)nc1 ZINC001218579190 824597553 /nfs/dbraw/zinc/59/75/53/824597553.db2.gz AANZHWCSJFKTND-SECBINFHSA-N 2 0 264.333 -0.486 20 0 CBADRP COc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)no1 ZINC001218574334 824597621 /nfs/dbraw/zinc/59/76/21/824597621.db2.gz REEUVWKDJKAWCI-PRHODGIISA-N 2 0 266.301 -0.179 20 0 CBADRP COC(=O)c1cncc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])n1 ZINC001218580829 824598722 /nfs/dbraw/zinc/59/87/22/824598722.db2.gz XRYYAXVLAPJYGT-QMMMGPOBSA-N 2 0 281.316 -0.342 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1c(N)c(=O)c1=O ZINC001218586942 824598815 /nfs/dbraw/zinc/59/88/15/824598815.db2.gz HQVVLNUREKEFPK-QMMMGPOBSA-N 2 0 282.344 -0.701 20 0 CBADRP CSc1nc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cc(=O)[nH]1 ZINC001218584556 824599451 /nfs/dbraw/zinc/59/94/51/824599451.db2.gz SVAOMXHCUSRYFE-ZETCQYMHSA-N 2 0 295.368 -0.348 20 0 CBADRP COc1ncc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cn1 ZINC001218590954 824600954 /nfs/dbraw/zinc/60/09/54/824600954.db2.gz ZBAIJJOJJBKBMG-SECBINFHSA-N 2 0 263.301 -0.767 20 0 CBADRP COC[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600819 824602407 /nfs/dbraw/zinc/60/24/07/824602407.db2.gz PFNONBSRFGSGHU-HZSPNIEDSA-N 2 0 299.415 -0.115 20 0 CBADRP COC(=O)Cn1cc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])cn1 ZINC001218609476 824603018 /nfs/dbraw/zinc/60/30/18/824603018.db2.gz DTCXIPZQCURRBX-JTQLQIEISA-N 2 0 283.332 -0.549 20 0 CBADRP CC(=O)Nc1cc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)ncn1 ZINC001218611501 824603207 /nfs/dbraw/zinc/60/32/07/824603207.db2.gz ZHBJQLPGJHJDTJ-GFCCVEGCSA-N 2 0 292.343 -0.300 20 0 CBADRP O=C(Nc1ccnc2c1CCC2)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218621286 824606425 /nfs/dbraw/zinc/60/64/25/824606425.db2.gz QRARDJXRWWWMGK-NSHDSACASA-N 2 0 272.352 -0.260 20 0 CBADRP Cn1ncc(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n1 ZINC001218625895 824607077 /nfs/dbraw/zinc/60/70/77/824607077.db2.gz AJSCUVLHQGXBOR-SECBINFHSA-N 2 0 264.333 -0.372 20 0 CBADRP COC(=O)c1scnc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218625098 824607130 /nfs/dbraw/zinc/60/71/30/824607130.db2.gz STLIDOSOXVHQJE-SSDOTTSWSA-N 2 0 296.352 -0.323 20 0 CBADRP COc1nccc(N)c1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218632063 824609979 /nfs/dbraw/zinc/60/99/79/824609979.db2.gz OBVIVZANGHPVTG-QMMMGPOBSA-N 2 0 253.306 -0.323 20 0 CBADRP COC(=O)c1cc(NC(=O)[C@H]([NH3+])CCC[NH3+])cn1C ZINC001218632253 824610039 /nfs/dbraw/zinc/61/00/39/824610039.db2.gz QUZLZPFXXZXOHD-SECBINFHSA-N 2 0 268.317 -0.184 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218641401 824612326 /nfs/dbraw/zinc/61/23/26/824612326.db2.gz RADYODGDJRUZSM-JTQLQIEISA-N 3 0 252.322 -0.968 20 0 CBADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@@H]1CC[NH2+]C[C@H]1F ZINC001218641544 824612688 /nfs/dbraw/zinc/61/26/88/824612688.db2.gz TUKIEUVZUFCESX-GHMZBOCLSA-N 2 0 267.308 -0.087 20 0 CBADRP CC(=O)Nc1cc(NC(=O)[C@@H](N)CC[NH3+])ccn1 ZINC001218649566 824614000 /nfs/dbraw/zinc/61/40/00/824614000.db2.gz DYXTVSMYLMBIIN-VIFPVBQESA-N 2 0 251.290 -0.345 20 0 CBADRP Cc1c[nH]c(=O)cc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218651374 824615462 /nfs/dbraw/zinc/61/54/62/824615462.db2.gz IMAOSXHVPKHFEX-LLVKDONJSA-N 2 0 293.371 -0.215 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cn[nH]c(=O)c1 ZINC001218653119 824617139 /nfs/dbraw/zinc/61/71/39/824617139.db2.gz UHIYWKWBUOWORV-VIFPVBQESA-N 2 0 253.306 -0.162 20 0 CBADRP [NH3+][C@@H](C(=O)Nc1ccn2cnnc2c1)C1CC[NH2+]CC1 ZINC001218659798 824618376 /nfs/dbraw/zinc/61/83/76/824618376.db2.gz VYNDNVKXSQJIBN-GFCCVEGCSA-N 2 0 274.328 -0.005 20 0 CBADRP [NH3+][C@@H](C(=O)Nc1[nH]c(=O)[nH]c(=O)c1N=O)C1CC[NH2+]CC1 ZINC001218671252 824619323 /nfs/dbraw/zinc/61/93/23/824619323.db2.gz NEJIEYPTAVNRGX-ZCFIWIBFSA-N 2 0 296.287 -0.449 20 0 CBADRP Nc1cc[nH]c(=O)c1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218678186 824620742 /nfs/dbraw/zinc/62/07/42/824620742.db2.gz GLISLLRQBZFVAK-JTQLQIEISA-N 2 0 294.359 -0.942 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)n1ccc(=[NH2+])c(N)c1 ZINC001218692567 824622005 /nfs/dbraw/zinc/62/20/05/824622005.db2.gz DOUWSEZVUQKVHQ-LBPRGKRZSA-N 2 0 279.344 -0.176 20 0 CBADRP Nc1cn(C(=O)[C@@H]([NH3+])CSCC[NH3+])ccc1=[NH2+] ZINC001218694214 824622701 /nfs/dbraw/zinc/62/27/01/824622701.db2.gz UHTNDISUHJHPNC-VIFPVBQESA-N 3 0 255.347 -0.791 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)n1ccc(=[NH2+])c(N)c1 ZINC001218692004 824622770 /nfs/dbraw/zinc/62/27/70/824622770.db2.gz ANHOHOCGDSQHOY-NSHDSACASA-N 2 0 279.344 -0.320 20 0 CBADRP Cn1nncc1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218700219 824623104 /nfs/dbraw/zinc/62/31/04/824623104.db2.gz NRDYXYBCXAUYLO-SECBINFHSA-N 2 0 264.333 -0.372 20 0 CBADRP Cc1ncn(C)c1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218698572 824623340 /nfs/dbraw/zinc/62/33/40/824623340.db2.gz WMGWUWFTBHLGRV-LLVKDONJSA-N 2 0 280.376 -0.583 20 0 CBADRP COCn1cc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)cn1 ZINC001218700143 824623471 /nfs/dbraw/zinc/62/34/71/824623471.db2.gz DWIVUJFJZALBHP-NSHDSACASA-N 2 0 267.333 -0.248 20 0 CBADRP Cc1nnc2cc(NC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)ccn12 ZINC001218699142 824623520 /nfs/dbraw/zinc/62/35/20/824623520.db2.gz DGZFPMKRUHGFDM-NSHDSACASA-N 2 0 286.339 -0.215 20 0 CBADRP Cc1nnc2cc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])ccn12 ZINC001218700379 824623909 /nfs/dbraw/zinc/62/39/09/824623909.db2.gz XSERGYBBMDNIMC-JTQLQIEISA-N 2 0 294.384 -0.005 20 0 CBADRP Cc1ncn(C)c1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218697949 824624105 /nfs/dbraw/zinc/62/41/05/824624105.db2.gz KZCSJCIGMWDUJI-JTQLQIEISA-N 2 0 251.334 -0.006 20 0 CBADRP NC(=O)c1cnoc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218702023 824624817 /nfs/dbraw/zinc/62/48/17/824624817.db2.gz IXEDLCXNMBIKFZ-ZETCQYMHSA-N 2 0 255.278 -0.832 20 0 CBADRP [NH3+]Cc1cncc(NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)c1 ZINC001218704366 824625855 /nfs/dbraw/zinc/62/58/55/824625855.db2.gz PMAFMLUVXMVXKT-LLVKDONJSA-N 2 0 260.301 -0.228 20 0 CBADRP [NH3+]Cc1cncc(NC(=O)C[C@@H]2COCC[NH2+]2)c1 ZINC001218705184 824625908 /nfs/dbraw/zinc/62/59/08/824625908.db2.gz LJCQGTOODHGXNA-LLVKDONJSA-N 2 0 250.302 -0.143 20 0 CBADRP CC(=O)c1nn(C)cc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218708550 824625989 /nfs/dbraw/zinc/62/59/89/824625989.db2.gz SWXOXGAFQUMNMI-MRVPVSSYSA-N 2 0 253.306 -0.373 20 0 CBADRP [NH3+]Cc1cncc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001218704041 824626341 /nfs/dbraw/zinc/62/63/41/824626341.db2.gz KJSIFHDZFAKRFS-NSHDSACASA-N 3 0 261.329 -0.712 20 0 CBADRP [NH3+]CCCNCC(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1 ZINC001218711588 824627133 /nfs/dbraw/zinc/62/71/33/824627133.db2.gz LEECJKHVUORDFW-VIFPVBQESA-N 2 0 267.333 -0.024 20 0 CBADRP O=C(Nc1cc([C@H]2CCC[NH2+]2)no1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218711655 824627280 /nfs/dbraw/zinc/62/72/80/824627280.db2.gz LVMRBJYOEQMOST-VHSXEESVSA-N 3 0 291.355 -0.153 20 0 CBADRP O=C(Nc1cc([C@@H]2CCC[NH2+]2)no1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001218713121 824627477 /nfs/dbraw/zinc/62/74/77/824627477.db2.gz QRHLHDVPGWIVKV-PKFCDNJMSA-N 2 0 291.355 -0.011 20 0 CBADRP COC[C@H](C)Oc1cc(NC(=O)[C@@H]([NH3+])CCC[NH3+])[nH]n1 ZINC001218718006 824627553 /nfs/dbraw/zinc/62/75/53/824627553.db2.gz BKFIKMGTXHOTOF-IUCAKERBSA-N 2 0 285.348 -0.172 20 0 CBADRP O=C(Nc1cc([C@@H]2CCC[NH2+]2)no1)[C@H]1C[NH2+]C[C@H]1O ZINC001218712203 824627684 /nfs/dbraw/zinc/62/76/84/824627684.db2.gz NSMYKBQPOJZKKR-OYNCUSHFSA-N 2 0 266.301 -0.382 20 0 CBADRP O=C(Nc1cc([C@@H]2CCC[NH2+]2)no1)[C@@H]1C[NH2+]CCN1 ZINC001218710396 824628063 /nfs/dbraw/zinc/62/80/63/824628063.db2.gz FFMZELMASMYXOX-WPRPVWTQSA-N 2 0 265.317 -0.401 20 0 CBADRP Cc1cc(=O)c(N)c(C)n1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218717623 824627848 /nfs/dbraw/zinc/62/78/48/824627848.db2.gz HEOASTYDCJYGHE-SNVBAGLBSA-N 2 0 276.340 -0.503 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)Nc2cc([C@@H]3CCC[NH2+]3)no2)C1 ZINC001218713936 824628052 /nfs/dbraw/zinc/62/80/52/824628052.db2.gz VADRNDBXVUNUTI-WEDXCCLWSA-N 2 0 265.317 -0.273 20 0 CBADRP CCN=c1ncc(N)cn1C(=O)[C@H](CCCC[NH3+])[NH2+]C ZINC001218739846 824630103 /nfs/dbraw/zinc/63/01/03/824630103.db2.gz LBCWFEATCHDVNB-NSHDSACASA-N 2 0 280.376 -0.257 20 0 CBADRP CCN=c1ccc(N)cn1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218742310 824631748 /nfs/dbraw/zinc/63/17/48/824631748.db2.gz WSRUOYJUMBMXCY-JTQLQIEISA-N 2 0 283.401 -0.350 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1c(C)cnn1CCO ZINC001218755489 824634552 /nfs/dbraw/zinc/63/45/52/824634552.db2.gz YUFDGNKCUVZVGM-NSHDSACASA-N 2 0 283.376 -0.161 20 0 CBADRP CNC(=O)c1cccnc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218765007 824635686 /nfs/dbraw/zinc/63/56/86/824635686.db2.gz QSAVDWRRQTXLGP-NSHDSACASA-N 2 0 291.355 -0.293 20 0 CBADRP Cc1cncnc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218792396 824638783 /nfs/dbraw/zinc/63/87/83/824638783.db2.gz JQALFVGJJJOYID-QMMMGPOBSA-N 2 0 255.347 -0.257 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccccc1CO ZINC001218829507 824643039 /nfs/dbraw/zinc/64/30/39/824643039.db2.gz IATRSPJNGMVFBN-CYBMUJFWSA-N 2 0 292.383 -0.132 20 0 CBADRP Nc1ccc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c(CCO)c1 ZINC001218917961 824646743 /nfs/dbraw/zinc/64/67/43/824646743.db2.gz DZVGIGRNICDDGT-GFCCVEGCSA-N 2 0 290.367 -0.449 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](C[C@@H](C)O)C[C@@H]21 ZINC001218918936 824647606 /nfs/dbraw/zinc/64/76/06/824647606.db2.gz KNTJAOZXUKPPDO-HZSPNIEDSA-N 2 0 299.415 -0.379 20 0 CBADRP Nc1ccc(COCCO)c(NC(=O)[C@@H]([NH3+])CCC[NH3+])c1 ZINC001218916904 824647738 /nfs/dbraw/zinc/64/77/38/824647738.db2.gz DJRYRDFWPYMDMN-LBPRGKRZSA-N 2 0 296.371 -0.218 20 0 CBADRP Nc1ccc(OCCO)c(NC(=O)[C@@H]([NH3+])CCC[NH3+])c1 ZINC001218919326 824647761 /nfs/dbraw/zinc/64/77/61/824647761.db2.gz NBPOOPVZPSIMSS-JTQLQIEISA-N 2 0 282.344 -0.355 20 0 CBADRP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@H]1C[NH2+]C[C@H]1O ZINC001218936559 824648482 /nfs/dbraw/zinc/64/84/82/824648482.db2.gz ATOXKPWNJMIJMY-UONOGXRCSA-N 2 0 275.352 -0.106 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)CCNC2=O ZINC001218935169 824648936 /nfs/dbraw/zinc/64/89/36/824648936.db2.gz QVGFQFAQNPRONQ-LBPRGKRZSA-N 2 0 276.340 -0.023 20 0 CBADRP NC(=O)Cc1cccc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c1 ZINC001218953677 824649485 /nfs/dbraw/zinc/64/94/85/824649485.db2.gz DEFGOSRESURNMK-AWEZNQCLSA-N 2 0 290.367 -0.020 20 0 CBADRP NC(=O)Cc1cccc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c1 ZINC001218953678 824650060 /nfs/dbraw/zinc/65/00/60/824650060.db2.gz DEFGOSRESURNMK-CQSZACIVSA-N 2 0 290.367 -0.020 20 0 CBADRP O=C(Nc1cccc2c1C[NH2+]C2)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001218994536 824652317 /nfs/dbraw/zinc/65/23/17/824652317.db2.gz KMUOUKIGFKXERT-ZDUSSCGKSA-N 2 0 288.351 -0.441 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219116982 824665177 /nfs/dbraw/zinc/66/51/77/824665177.db2.gz UGDGEZIABBUGSX-CYBMUJFWSA-N 2 0 278.356 -0.256 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)C1 ZINC001219119470 824665207 /nfs/dbraw/zinc/66/52/07/824665207.db2.gz ZIJYXAXXXRUYFM-FZMZJTMJSA-N 3 0 289.383 -0.276 20 0 CBADRP N=c1c2cc(N)ccc2on1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001219138294 824666888 /nfs/dbraw/zinc/66/68/88/824666888.db2.gz CHVUAZBOKIVXRV-VIFPVBQESA-N 2 0 295.368 -0.045 20 0 CBADRP Nc1cccc2c1N(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001219439878 824710762 /nfs/dbraw/zinc/71/07/62/824710762.db2.gz NHMJWYYRLHLSEI-NSHDSACASA-N 2 0 272.352 -0.033 20 0 CBADRP NC(=O)c1cc(O)cc(NC(=O)[C@@H]([NH3+])CCC[NH3+])c1 ZINC001219442020 824710965 /nfs/dbraw/zinc/71/09/65/824710965.db2.gz ZPTZHXVVJWVYDN-JTQLQIEISA-N 2 0 266.301 -0.504 20 0 CBADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)[C@H]1[NH2+]CC[C@@H]1O ZINC001219540213 824725457 /nfs/dbraw/zinc/72/54/57/824725457.db2.gz FCHOCXPQZUKSCB-QLHKRLSFSA-N 2 0 289.335 -0.204 20 0 CBADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219537923 824725897 /nfs/dbraw/zinc/72/58/97/824725897.db2.gz RNLLCOKYHNXHNV-IZWKTGJZSA-N 2 0 289.335 -0.204 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219555593 824727044 /nfs/dbraw/zinc/72/70/44/824727044.db2.gz HTJWSCJHAVBJER-CYBMUJFWSA-N 3 0 285.436 -0.805 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCn1ccnc1 ZINC001219564166 824731437 /nfs/dbraw/zinc/73/14/37/824731437.db2.gz ULKLDXWBJLYHCP-VIFPVBQESA-N 2 0 257.363 -0.982 20 0 CBADRP O=C(NCCn1ccnc1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219564319 824732321 /nfs/dbraw/zinc/73/23/21/824732321.db2.gz XXSXIWFZAGKVGE-LBPRGKRZSA-N 2 0 277.372 -0.127 20 0 CBADRP Cn1ccnc1CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219564262 824732417 /nfs/dbraw/zinc/73/24/17/824732417.db2.gz VTLIZRYSIWCQJP-ZWNOBZJWSA-N 2 0 263.345 -0.765 20 0 CBADRP O=C(NCCn1ccnn1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219566312 824733308 /nfs/dbraw/zinc/73/33/08/824733308.db2.gz ZJOQVYSSEBONCW-NSHDSACASA-N 2 0 278.360 -0.732 20 0 CBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219585045 824735990 /nfs/dbraw/zinc/73/59/90/824735990.db2.gz RVZGOODPEYZWNN-LSJOCFKGSA-N 2 0 288.417 -0.603 20 0 CBADRP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219586807 824736111 /nfs/dbraw/zinc/73/61/11/824736111.db2.gz FLPZSQDAIXOABD-VGDYDELISA-N 2 0 269.345 -0.606 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@]2(C)CC[NH2+]C[C@@H]2O)C[NH2+]1 ZINC001219582858 824736194 /nfs/dbraw/zinc/73/61/94/824736194.db2.gz LXLHVJKKAMCAFR-MRBYEJRBSA-N 2 0 255.362 -0.396 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219587058 824738190 /nfs/dbraw/zinc/73/81/90/824738190.db2.gz OZIDUEZUOJOQRV-SRVKXCTJSA-N 2 0 284.404 -0.267 20 0 CBADRP Cc1cc(C)n(CCNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)n1 ZINC001219595645 824738941 /nfs/dbraw/zinc/73/89/41/824738941.db2.gz JMZJXCHZRGHMSO-UKRRQHHQSA-N 2 0 291.399 -0.185 20 0 CBADRP Cc1cc(C)n(CCNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001219595648 824739142 /nfs/dbraw/zinc/73/91/42/824739142.db2.gz JPOLBJRCOHRYBP-GFCCVEGCSA-N 2 0 277.372 -0.575 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])C(=O)C=C1CC[NH2+]CC1 ZINC001219595795 824739285 /nfs/dbraw/zinc/73/92/85/824739285.db2.gz PXQQXAJXGHXDAE-UHFFFAOYSA-N 2 0 261.347 -0.957 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])C(=O)C1CCC(C[NH3+])CC1 ZINC001219595665 824739758 /nfs/dbraw/zinc/73/97/58/824739758.db2.gz KCVATVPDJCBEEL-UHFFFAOYSA-N 2 0 277.390 -0.502 20 0 CBADRP C[C@H]1CC[NH2+][C@@H](C(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001219593751 824739857 /nfs/dbraw/zinc/73/98/57/824739857.db2.gz HIBHUZNSGMWALP-DTWKUNHWSA-N 2 0 263.363 -0.879 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])C(=O)c1cccc(C[NH3+])c1 ZINC001219595831 824739870 /nfs/dbraw/zinc/73/98/70/824739870.db2.gz RZDZOJOZEUSXGL-UHFFFAOYSA-N 2 0 271.342 -0.494 20 0 CBADRP Cc1ncc(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)s1 ZINC001219597232 824740430 /nfs/dbraw/zinc/74/04/30/824740430.db2.gz FGGBORCEXWRGRD-LBPRGKRZSA-N 2 0 297.428 -0.182 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@@H](O)c1ccco1 ZINC001219604232 824849818 /nfs/dbraw/zinc/84/98/18/824849818.db2.gz LECMNFCTZMOCPE-VHSXEESVSA-N 2 0 255.318 -0.115 20 0 CBADRP O=C(NCc1c[nH]cn1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219606828 824853145 /nfs/dbraw/zinc/85/31/45/824853145.db2.gz UKYNDISUAAXNSD-LLVKDONJSA-N 2 0 263.345 -0.100 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC1 ZINC001219615836 824854445 /nfs/dbraw/zinc/85/44/45/824854445.db2.gz GBDWZZOINSGWEA-WCQYABFASA-N 2 0 273.352 -0.493 20 0 CBADRP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219610411 824854484 /nfs/dbraw/zinc/85/44/84/824854484.db2.gz NLBAYXGYJDCKEC-CKEKPRIKSA-N 2 0 292.305 -0.653 20 0 CBADRP CC[C@@]1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CCC[NH2+]C1 ZINC001219617352 824855725 /nfs/dbraw/zinc/85/57/25/824855725.db2.gz LJDKZWLEKYERKJ-IACUBPJLSA-N 2 0 287.379 -0.055 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1C[NH2+]C[C@H](F)C1 ZINC001219617623 824857084 /nfs/dbraw/zinc/85/70/84/824857084.db2.gz MZCBSXQUNIPMMX-MWGHHZFTSA-N 2 0 277.315 -0.887 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@]12CC[C@H]1C[NH2+]C2 ZINC001219617736 824857999 /nfs/dbraw/zinc/85/79/99/824857999.db2.gz OQTSYRIHUJAQJZ-XRRVDJEJSA-N 2 0 271.336 -0.835 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1CCCC[NH2+]C1 ZINC001219618096 824858592 /nfs/dbraw/zinc/85/85/92/824858592.db2.gz UJQCJSIBYHKGRR-NTZNESFSSA-N 2 0 273.352 -0.445 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1CC[NH2+]C[C@H]1F ZINC001219622550 824860257 /nfs/dbraw/zinc/86/02/57/824860257.db2.gz XAGYDRVYDUUZCP-MWGHHZFTSA-N 2 0 277.315 -0.887 20 0 CBADRP C[N@@H+]1CCC[C@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219622215 824861163 /nfs/dbraw/zinc/86/11/63/824861163.db2.gz PYHYZHQREUTINL-GMXVVIOVSA-N 2 0 273.352 -0.493 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219622303 824862065 /nfs/dbraw/zinc/86/20/65/824862065.db2.gz QISIKLURLQGPEQ-MHYGZLNHSA-N 2 0 269.267 -0.852 20 0 CBADRP O=C(NCCN1CCCCO1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219633149 824865135 /nfs/dbraw/zinc/86/51/35/824865135.db2.gz YKFGWLZPBUUOEU-TZMCWYRMSA-N 2 0 282.388 -0.671 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)C1CC[NH2+]CC1 ZINC001219636103 824867278 /nfs/dbraw/zinc/86/72/78/824867278.db2.gz WSNPQYCMBIKBRR-DCAQKATOSA-N 3 0 258.341 -0.871 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)CNC2CC[NH2+]CC2)C1 ZINC001219640608 824867544 /nfs/dbraw/zinc/86/75/44/824867544.db2.gz AUDQBSDNOMBHEQ-NWDGAFQWSA-N 2 0 268.405 -0.310 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)CNC2CC[NH2+]CC2)C1 ZINC001219640610 824867926 /nfs/dbraw/zinc/86/79/26/824867926.db2.gz AUDQBSDNOMBHEQ-VXGBXAGGSA-N 2 0 268.405 -0.310 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)CNC2CC[NH2+]CC2)C1 ZINC001219640607 824867953 /nfs/dbraw/zinc/86/79/53/824867953.db2.gz AUDQBSDNOMBHEQ-NEPJUHHUSA-N 2 0 268.405 -0.310 20 0 CBADRP Cn1cnc(CCNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001219634100 824868039 /nfs/dbraw/zinc/86/80/39/824868039.db2.gz NTUMRTZLQUBJGD-CYBMUJFWSA-N 2 0 291.399 -0.047 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219636224 824868200 /nfs/dbraw/zinc/86/82/00/824868200.db2.gz XKWJWVQWSYZQPM-XUXIUFHCSA-N 2 0 298.406 -0.124 20 0 CBADRP C[C@H]1OCC[C@H]1CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219636354 824868239 /nfs/dbraw/zinc/86/82/39/824868239.db2.gz ZHWVGALQZSDJBQ-NTZNESFSSA-N 2 0 284.404 -0.722 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001219641872 824869522 /nfs/dbraw/zinc/86/95/22/824869522.db2.gz MHGKWTSAOFDAGQ-OPDFLTKYSA-N 2 0 266.389 -0.700 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001219642426 824869705 /nfs/dbraw/zinc/86/97/05/824869705.db2.gz SRJJDSUDSDBDKL-NJMOYASZSA-N 2 0 267.373 -0.417 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])Cc2cncn2C)C1 ZINC001219640873 824869877 /nfs/dbraw/zinc/86/98/77/824869877.db2.gz CMIUTWXUVXLVAZ-MDZLAQPJSA-N 2 0 279.388 -0.348 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001219641929 824870201 /nfs/dbraw/zinc/87/02/01/824870201.db2.gz MZJJBTTYQHWYNH-GMTAPVOTSA-N 2 0 285.392 -0.876 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@]23C[NH2+][C@@H](CO2)C3)C1 ZINC001219640822 824870018 /nfs/dbraw/zinc/87/00/18/824870018.db2.gz CGFLHCYMMFVTRB-MEWQQHAOSA-N 2 0 253.346 -0.521 20 0 CBADRP CCOC(=O)C1(C(=O)NC[C@@H]2C[NH2+]C[C@H](C)C2)C[NH2+]C1 ZINC001219645874 824871305 /nfs/dbraw/zinc/87/13/05/824871305.db2.gz NHPRRQMCIDERFZ-MNOVXSKESA-N 2 0 283.372 -0.499 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)C2(N)CC[NH2+]CC2)C1 ZINC001219644574 824871433 /nfs/dbraw/zinc/87/14/33/824871433.db2.gz CPZKZLUCHOVMKN-GHMZBOCLSA-N 2 0 254.378 -0.571 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)COCCOCC[NH3+])C1 ZINC001219644425 824871567 /nfs/dbraw/zinc/87/15/67/824871567.db2.gz AWITUULHEBDWCI-VXGBXAGGSA-N 2 0 273.377 -0.660 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)C1 ZINC001219642839 824871721 /nfs/dbraw/zinc/87/17/21/824871721.db2.gz YGEZIRSDDKBFBQ-UJPOAAIJSA-N 2 0 267.373 -0.275 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])CO2)C1 ZINC001219645950 824872102 /nfs/dbraw/zinc/87/21/02/824872102.db2.gz OCCVNUZCAFOVQX-KKOKHZNYSA-N 2 0 255.362 -0.146 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@]2(N)CCC[NH2+]C2)C1 ZINC001219650382 824872760 /nfs/dbraw/zinc/87/27/60/824872760.db2.gz OMXPVMVJRXKKCM-GMXVVIOVSA-N 2 0 254.378 -0.571 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCN2C)C1 ZINC001219649181 824872848 /nfs/dbraw/zinc/87/28/48/824872848.db2.gz GGNLELFUGVKCMI-RWMBFGLXSA-N 2 0 268.405 -0.406 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219649484 824872886 /nfs/dbraw/zinc/87/28/86/824872886.db2.gz JYBPKBCFYIPEKU-CYDGBPFRSA-N 2 0 296.415 -0.314 20 0 CBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219651152 824873107 /nfs/dbraw/zinc/87/31/07/824873107.db2.gz UDLAXDTWSZULBT-FOUMNBMASA-N 2 0 283.372 -0.501 20 0 CBADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219648965 824873291 /nfs/dbraw/zinc/87/32/91/824873291.db2.gz CRQFRQLYCSLSQQ-RCWTZXSCSA-N 2 0 270.377 -0.800 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC001219651418 824874602 /nfs/dbraw/zinc/87/46/02/824874602.db2.gz VLHOULDEMXUUMY-TUAOUCFPSA-N 2 0 255.362 -0.273 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001219651677 824874685 /nfs/dbraw/zinc/87/46/85/824874685.db2.gz XKONCHSHMXAEJK-MXWKQRLJSA-N 3 0 274.434 -0.633 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001219671402 824876972 /nfs/dbraw/zinc/87/69/72/824876972.db2.gz GLPOUMRSGUBYON-UWVGGRQHSA-N 2 0 277.390 -0.993 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC1(C(N)=O)CC1 ZINC001219682899 824878168 /nfs/dbraw/zinc/87/81/68/824878168.db2.gz QQHPVGXRVFWIKB-JTQLQIEISA-N 2 0 270.377 -0.384 20 0 CBADRP C[C@@H]1C[C@@H](CNC(=O)CCCCNC(N)=[NH2+])C[NH2+]1 ZINC001219684590 824879006 /nfs/dbraw/zinc/87/90/06/824879006.db2.gz QSYCRAJVNUSOBG-NXEZZACHSA-N 2 0 255.366 -0.246 20 0 CBADRP O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@H]1C[NH2+]CCN1 ZINC001219705260 824882887 /nfs/dbraw/zinc/88/28/87/824882887.db2.gz FSGKHOWQXXFZST-CQSZACIVSA-N 2 0 274.368 -0.490 20 0 CBADRP N[C@@]1(C(=O)NCc2ccc3c(c2)CC[NH2+]C3)CC[NH2+]C1 ZINC001219705208 824883421 /nfs/dbraw/zinc/88/34/21/824883421.db2.gz DSVKXGATSNMKEO-HNNXBMFYSA-N 2 0 274.368 -0.361 20 0 CBADRP Nc1nc(=O)c2ccccc2n1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001219718452 824884764 /nfs/dbraw/zinc/88/47/64/824884764.db2.gz PQGJDQQEDOEFOE-SECBINFHSA-N 2 0 275.312 -0.072 20 0 CBADRP Nc1nc(=O)c2ccccc2n1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001219718453 824884904 /nfs/dbraw/zinc/88/49/04/824884904.db2.gz PQGJDQQEDOEFOE-VIFPVBQESA-N 2 0 275.312 -0.072 20 0 CBADRP [NH3+][C@@H](Cc1ccsc1)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219711163 824885409 /nfs/dbraw/zinc/88/54/09/824885409.db2.gz BGFSQORWUAUXIP-IVZWLZJFSA-N 2 0 255.343 -0.933 20 0 CBADRP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1CC[NH2+]1 ZINC001219741226 824887638 /nfs/dbraw/zinc/88/76/38/824887638.db2.gz DLVQGBBXHKHSHR-MNOVXSKESA-N 2 0 253.346 -0.234 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219739059 824887647 /nfs/dbraw/zinc/88/76/47/824887647.db2.gz GFTOUAYFBNTKBY-SFYZADRCSA-N 2 0 263.288 -0.536 20 0 CBADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001219737224 824888270 /nfs/dbraw/zinc/88/82/70/824888270.db2.gz QTFONCUIKGHIGO-ZDEQEGDKSA-N 2 0 295.383 -0.752 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219736988 824888295 /nfs/dbraw/zinc/88/82/95/824888295.db2.gz LXBMGYLCCXCYIY-HBNTYKKESA-N 2 0 253.346 -0.392 20 0 CBADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)C1CC[NH2+]CC1 ZINC001219736625 824888440 /nfs/dbraw/zinc/88/84/40/824888440.db2.gz DUCXVLRJUJSYGN-LLVKDONJSA-N 2 0 253.346 -0.519 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749753 824889397 /nfs/dbraw/zinc/88/93/97/824889397.db2.gz QNNMFEVYNFWDDL-ZETCQYMHSA-N 2 0 288.302 -0.630 20 0 CBADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001219764323 824889412 /nfs/dbraw/zinc/88/94/12/824889412.db2.gz DBIFLFAUDLSCFV-VOAKCMCISA-N 2 0 284.379 -0.514 20 0 CBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)C1CC[NH2+]CC1 ZINC001219749957 824890041 /nfs/dbraw/zinc/89/00/41/824890041.db2.gz SUAFHXWKVKALET-UHFFFAOYSA-N 2 0 278.360 -0.613 20 0 CBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001219749885 824890094 /nfs/dbraw/zinc/89/00/94/824890094.db2.gz SMEFVBRWJOWNGS-ZJUUUORDSA-N 2 0 296.350 -0.665 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2nnc3n2CCC[NH2+]C3)C1 ZINC001219748945 824890241 /nfs/dbraw/zinc/89/02/41/824890241.db2.gz DVYMQWJQYAPLEQ-GHMZBOCLSA-N 2 0 292.387 -0.224 20 0 CBADRP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1[NH2+]CC[C@@H]1O ZINC001219743478 824890496 /nfs/dbraw/zinc/89/04/96/824890496.db2.gz FBYOQASSRMGGJU-WOPDTQHZSA-N 2 0 283.372 -0.873 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@@]1(F)CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001219767634 824891352 /nfs/dbraw/zinc/89/13/52/824891352.db2.gz AOSGZZHUFNBOPX-WCQYABFASA-N 3 0 272.368 -0.479 20 0 CBADRP [NH3+][C@@H](C(=O)NC[C@@]1(F)CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001219767633 824891668 /nfs/dbraw/zinc/89/16/68/824891668.db2.gz AOSGZZHUFNBOPX-DGCLKSJQSA-N 3 0 272.368 -0.479 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219768965 824892116 /nfs/dbraw/zinc/89/21/16/824892116.db2.gz RWOQLGVKCMIGBI-AAEUAGOBSA-N 2 0 283.351 -0.502 20 0 CBADRP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219768072 824892276 /nfs/dbraw/zinc/89/22/76/824892276.db2.gz JSJNMSSGPBTYJZ-KWCYVHTRSA-N 3 0 284.379 -0.607 20 0 CBADRP NC1(C(=O)NC[C@]2(F)CCC[NH2+]C2)CC[NH2+]CC1 ZINC001219769647 824892286 /nfs/dbraw/zinc/89/22/86/824892286.db2.gz YPNHQDORIPREKB-NSHDSACASA-N 2 0 258.341 -0.725 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219773072 824893028 /nfs/dbraw/zinc/89/30/28/824893028.db2.gz KVAFCJKWRAMARV-MLGOLLRUSA-N 3 0 292.427 -0.166 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@]12C[NH2+]C[C@H]1COC2 ZINC001219773045 824893139 /nfs/dbraw/zinc/89/31/39/824893139.db2.gz KJBOQEPYYFAMRP-NHYWBVRUSA-N 2 0 279.384 -0.129 20 0 CBADRP N[C@@]1(C(=O)NC2CC3(C2)CC[NH2+]CC3)CC[NH2+]C1 ZINC001219777280 824893292 /nfs/dbraw/zinc/89/32/92/824893292.db2.gz FYBLYJJENJJFTJ-ZDUSSCGKSA-N 2 0 252.362 -0.674 20 0 CBADRP C[C@@]1(C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)CC[NH2+]C1 ZINC001219803508 824896192 /nfs/dbraw/zinc/89/61/92/824896192.db2.gz WCPLBCMOQIJZGE-DGCLKSJQSA-N 2 0 267.373 -0.129 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219809725 824896863 /nfs/dbraw/zinc/89/68/63/824896863.db2.gz RQGQGARKLNTZSD-NSHDSACASA-N 3 0 295.387 -0.347 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@]12C[NH2+]C[C@H]1COC2)C1CCC(O)CC1 ZINC001219812720 824897265 /nfs/dbraw/zinc/89/72/65/824897265.db2.gz HUHQTMSGODVYHQ-PMHIFUKMSA-N 2 0 297.399 -0.783 20 0 CBADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O)C1CCC1 ZINC001219815816 824897396 /nfs/dbraw/zinc/89/73/96/824897396.db2.gz LDPJJQAHEOECOA-OLZOCXBDSA-N 2 0 285.388 -0.986 20 0 CBADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1O)C1CCC1 ZINC001219814037 824898050 /nfs/dbraw/zinc/89/80/50/824898050.db2.gz POYVOEJBOVAXPX-OLZOCXBDSA-N 2 0 287.379 -0.008 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)N[C@@H]2CC[NH2+][C@H]2c2ccccc2)C1 ZINC001219818805 824898563 /nfs/dbraw/zinc/89/85/63/824898563.db2.gz OABZPJNMLROWBP-MQYQWHSLSA-N 2 0 274.368 -0.105 20 0 CBADRP O=C(N[C@H]1C[NH2+]Cc2ccsc21)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219823092 824899038 /nfs/dbraw/zinc/89/90/38/824899038.db2.gz KJSGHTSKRIMRHB-QWRGUYRKSA-N 3 0 292.408 -0.182 20 0 CBADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CCCC[NH2+]1 ZINC001219833596 824899188 /nfs/dbraw/zinc/89/91/88/824899188.db2.gz FJFJTPMFDKIREH-YDHLFZDLSA-N 2 0 297.399 -0.360 20 0 CBADRP COCC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219829761 824899644 /nfs/dbraw/zinc/89/96/44/824899644.db2.gz DFJNOJGFCBMJFT-MCIONIFRSA-N 2 0 299.415 -0.332 20 0 CBADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1CC[NH2+]C[C@H]1F ZINC001219831699 824899811 /nfs/dbraw/zinc/89/98/11/824899811.db2.gz UQCGUICDOKFBPH-ZIQFBCGOSA-N 2 0 271.336 -0.573 20 0 CBADRP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@H]1[NH2+]CC[C@@H]1O ZINC001219827048 824900059 /nfs/dbraw/zinc/90/00/59/824900059.db2.gz YIFBIOZJZCNWLP-UTLUCORTSA-N 2 0 267.354 -0.269 20 0 CBADRP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219823273 824900319 /nfs/dbraw/zinc/90/03/19/824900319.db2.gz OJXIUMWDVHXBAN-WDMOLILDSA-N 2 0 292.408 -0.040 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831213 824900619 /nfs/dbraw/zinc/90/06/19/824900619.db2.gz BOJLKAPQVDONES-WYUUTHIRSA-N 2 0 285.388 -0.378 20 0 CBADRP [NH3+][C@H]1CC[C@@H]1C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838334 824901029 /nfs/dbraw/zinc/90/10/29/824901029.db2.gz PFFOBTYFORHATJ-UHXUPSOCSA-N 2 0 283.372 -0.765 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847635 824901134 /nfs/dbraw/zinc/90/11/34/824901134.db2.gz NIIJUBLLAXVFNH-XDQVBPFNSA-N 3 0 298.431 -0.319 20 0 CBADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C1CC[NH2+]CC1 ZINC001219836914 824901242 /nfs/dbraw/zinc/90/12/42/824901242.db2.gz GFIKZXXIDRSXAO-WFASDCNBSA-N 2 0 297.399 -0.503 20 0 CBADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)C1CC[NH2+]CC1 ZINC001219847549 824901375 /nfs/dbraw/zinc/90/13/75/824901375.db2.gz KIIZLZMFHJYYKD-SDDRHHMPSA-N 2 0 253.346 -0.378 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847706 824901609 /nfs/dbraw/zinc/90/16/09/824901609.db2.gz PNVZNJIOSCGVGZ-ZJQBRPOHSA-N 3 0 284.404 -0.532 20 0 CBADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@H]1CCCC[NH2+]1 ZINC001219847527 824901688 /nfs/dbraw/zinc/90/16/88/824901688.db2.gz JXRSXFQCAPJSOR-FIQHERPVSA-N 2 0 253.346 -0.236 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837501 824901839 /nfs/dbraw/zinc/90/18/39/824901839.db2.gz KCKRULRISLWNHP-JLNYLFASSA-N 2 0 297.399 -0.375 20 0 CBADRP C[NH2+]CCC(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837997 824901935 /nfs/dbraw/zinc/90/19/35/824901935.db2.gz NLSBGVUMAFWEOX-AAEUAGOBSA-N 2 0 271.361 -0.893 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837500 824902172 /nfs/dbraw/zinc/90/21/72/824902172.db2.gz KCKRULRISLWNHP-BHPKHCPMSA-N 2 0 297.399 -0.375 20 0 CBADRP [NH3+]C[C@H](Cc1ccccc1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854807 824902448 /nfs/dbraw/zinc/90/24/48/824902448.db2.gz WJYDLJVYTJHBKB-LJISPDSOSA-N 2 0 289.379 -0.093 20 0 CBADRP CC1(C)C[NH2+][C@](C)(C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001219853952 824902698 /nfs/dbraw/zinc/90/26/98/824902698.db2.gz AHXFHFZYPGIAGK-DEKYYXRVSA-N 2 0 267.373 -0.132 20 0 CBADRP [NH3+][C@@H](CC1CCCC1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856717 824902741 /nfs/dbraw/zinc/90/27/41/824902741.db2.gz YICMRTNBHXHRJJ-MROQNXINSA-N 2 0 267.373 -0.003 20 0 CBADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219852670 824902782 /nfs/dbraw/zinc/90/27/82/824902782.db2.gz XCSYGARMXYGIMW-DVWMECQTSA-N 2 0 265.357 -0.808 20 0 CBADRP [NH3+][C@H](Cc1ccccc1F)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854105 824903308 /nfs/dbraw/zinc/90/33/08/824903308.db2.gz CMWWMJNRRKUJRP-RUZUBIRVSA-N 2 0 293.342 -0.202 20 0 CBADRP O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219865190 824904768 /nfs/dbraw/zinc/90/47/68/824904768.db2.gz FGQKPPGPTCFMIB-HZSPNIEDSA-N 2 0 287.363 -0.430 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001219870903 824905782 /nfs/dbraw/zinc/90/57/82/824905782.db2.gz WIVGGLLCSMGSEZ-JTQLQIEISA-N 2 0 257.334 -0.678 20 0 CBADRP C[NH+]1CCN(c2cncc(C(=O)NCC[NH3+])c2)CC1 ZINC001219874196 824906487 /nfs/dbraw/zinc/90/64/87/824906487.db2.gz DECUZUVJWSQJAY-UHFFFAOYSA-N 2 0 263.345 -0.478 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@H]1CCc2[nH]c(=O)ccc2C1 ZINC001219890123 824910503 /nfs/dbraw/zinc/91/05/03/824910503.db2.gz FJMFNCWPSDCNNX-QWRGUYRKSA-N 2 0 278.356 -0.173 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC)C[C@@H]1O ZINC001219903210 824912052 /nfs/dbraw/zinc/91/20/52/824912052.db2.gz VLSNTXSUQFBIHS-MNOVXSKESA-N 2 0 257.378 -0.102 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001219916341 824913308 /nfs/dbraw/zinc/91/33/08/824913308.db2.gz RZDJWQSMJXUMLJ-NOOOWODRSA-N 2 0 255.362 -0.180 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@H]1[NH2+]CCC[C@H]1C(F)(F)F ZINC001219918117 824914956 /nfs/dbraw/zinc/91/49/56/824914956.db2.gz FFTYOXDJUFJJLK-BDAKNGLRSA-N 2 0 283.294 -0.385 20 0 CBADRP C[NH+](C)CCCCCNC(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219917961 824915078 /nfs/dbraw/zinc/91/50/78/824915078.db2.gz AAHKNNWMYXYATK-OCCSQVGLSA-N 2 0 268.405 -0.214 20 0 CBADRP C[NH+](C)CCCCCNC(=O)[C@]1(N)CCC[NH2+]C1 ZINC001219921663 824915137 /nfs/dbraw/zinc/91/51/37/824915137.db2.gz XNAYXLWDBCPYMQ-ZDUSSCGKSA-N 2 0 256.394 -0.085 20 0 CBADRP Cc1nonc1CNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001219948151 824921049 /nfs/dbraw/zinc/92/10/49/824921049.db2.gz NIHFVSNIOUVYMO-VIFPVBQESA-N 2 0 255.322 -0.159 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])COC(C)=O)CC1 ZINC001219954831 824921750 /nfs/dbraw/zinc/92/17/50/824921750.db2.gz ULRYODCMJDKYAA-LBPRGKRZSA-N 2 0 271.361 -0.133 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@@]2(N)CC[NH2+]C2)CC1 ZINC001219954824 824921889 /nfs/dbraw/zinc/92/18/89/824921889.db2.gz UFGZHAQTDDZOIQ-CYBMUJFWSA-N 2 0 254.378 -0.332 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@H]1CCC(=O)N1 ZINC001219959107 824922143 /nfs/dbraw/zinc/92/21/43/824922143.db2.gz ISFDAMYXDOOMRY-ZJUUUORDSA-N 2 0 256.350 -0.902 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001219954875 824922650 /nfs/dbraw/zinc/92/26/50/824922650.db2.gz WGSJLOQOLAXPES-IUODEOHRSA-N 2 0 280.416 -0.072 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001219954671 824922709 /nfs/dbraw/zinc/92/27/09/824922709.db2.gz MYTWVXZRFOTTBH-ZDUSSCGKSA-N 2 0 296.415 -0.693 20 0 CBADRP NC(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CCC[NH3+])cc1 ZINC001219961739 824924884 /nfs/dbraw/zinc/92/48/84/824924884.db2.gz UYMGYETZSMYWHU-NSHDSACASA-N 2 0 264.329 -0.532 20 0 CBADRP COC(=O)CNC(=O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219974872 824927066 /nfs/dbraw/zinc/92/70/66/824927066.db2.gz HTSBIKMMIIEGBX-GHMZBOCLSA-N 2 0 269.345 -0.651 20 0 CBADRP COC(=O)CNC(=O)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219974874 824928178 /nfs/dbraw/zinc/92/81/78/824928178.db2.gz HTSBIKMMIIEGBX-QWRGUYRKSA-N 2 0 269.345 -0.651 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001219978968 824929168 /nfs/dbraw/zinc/92/91/68/824929168.db2.gz WWSYWMRMYBHSCV-VNHYZAJKSA-N 2 0 280.416 -0.214 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2C[NH2+]C[C@@H]2N)C1 ZINC001219980702 824929269 /nfs/dbraw/zinc/92/92/69/824929269.db2.gz NHGAJWMLTHXIJR-WOPDTQHZSA-N 2 0 254.378 -0.619 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCC(=O)N1CCc2ccccc21 ZINC001219978980 824929619 /nfs/dbraw/zinc/92/96/19/824929619.db2.gz XFWDCSAGZHBDJL-LBPRGKRZSA-N 2 0 290.367 -0.242 20 0 CBADRP [NH3+][C@@H](C(=O)NC[C@@H]1CCCCO1)C1CC[NH2+]CC1 ZINC001219979115 824929817 /nfs/dbraw/zinc/92/98/17/824929817.db2.gz ZWBROQBYRYOJPA-NWDGAFQWSA-N 2 0 255.362 -0.001 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001219980890 824930033 /nfs/dbraw/zinc/93/00/33/824930033.db2.gz QKCLIFGQTYXLOD-ZOBORPQBSA-N 2 0 280.416 -0.216 20 0 CBADRP COC(=O)C1(NC(=O)[C@H]2CC[C@@H]2[NH3+])CC[NH2+]CC1 ZINC001220001040 824931719 /nfs/dbraw/zinc/93/17/19/824931719.db2.gz FACKQLHVGGTTFF-IUCAKERBSA-N 2 0 255.318 -0.865 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC001220007160 824932465 /nfs/dbraw/zinc/93/24/65/824932465.db2.gz JKUTXZJYKHADMC-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP O=C(NCc1cncnc1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220007687 824933096 /nfs/dbraw/zinc/93/30/96/824933096.db2.gz UAKYIPRABMSKLP-GFCCVEGCSA-N 2 0 275.356 -0.033 20 0 CBADRP CCOC(=O)c1nnc(CNC(=O)[C@@H]([NH3+])CCCC[NH3+])o1 ZINC001220011084 824934172 /nfs/dbraw/zinc/93/41/72/824934172.db2.gz QNELRCPKMBZGKW-QMMMGPOBSA-N 2 0 299.331 -0.681 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)n1cnc(C[NH3+])cc1=N ZINC001220020793 824936458 /nfs/dbraw/zinc/93/64/58/824936458.db2.gz WDICPMKNOWBKKG-VIFPVBQESA-N 2 0 267.333 -0.396 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001220022200 824936562 /nfs/dbraw/zinc/93/65/62/824936562.db2.gz BUERDJIQAJLIFY-ZDUSSCGKSA-N 2 0 292.383 -0.581 20 0 CBADRP CC(C)[C@](C)(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C(N)=O ZINC001220022793 824936576 /nfs/dbraw/zinc/93/65/76/824936576.db2.gz LYHDHJHEORBXJR-GWCFXTLKSA-N 2 0 272.393 -0.151 20 0 CBADRP N=c1cc(C[NH3+])ncn1C(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001220020767 824936636 /nfs/dbraw/zinc/93/66/36/824936636.db2.gz VBNSVKYKWPFZOC-IUCAKERBSA-N 2 0 253.281 -0.591 20 0 CBADRP N=c1sc2c(n1C(=O)CN1CC[NH2+]CC1)CC[C@H]([NH3+])C2 ZINC001220023276 824937890 /nfs/dbraw/zinc/93/78/90/824937890.db2.gz TWAYSPVOIOQNQL-VIFPVBQESA-N 2 0 295.412 -0.610 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC(=O)NC1=O ZINC001220031564 824939736 /nfs/dbraw/zinc/93/97/36/824939736.db2.gz XMDJZRKCZFLURP-QWRGUYRKSA-N 2 0 298.387 -0.597 20 0 CBADRP O=C(NCc1ccncc1F)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220035919 824941125 /nfs/dbraw/zinc/94/11/25/824941125.db2.gz HVNZLPBOGOHZSC-JTQLQIEISA-N 2 0 264.304 -0.354 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001220043042 824941735 /nfs/dbraw/zinc/94/17/35/824941735.db2.gz CHTVMQKNLUDAAW-NHNAUAITSA-N 2 0 293.371 -0.352 20 0 CBADRP N=c1cc(C[NH3+])ccn1C(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001220044874 824941806 /nfs/dbraw/zinc/94/18/06/824941806.db2.gz CMDZOBQISKFRBX-JTQLQIEISA-N 2 0 260.301 -0.640 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)C[C@H]1COCC[NH2+]1 ZINC001220043569 824942055 /nfs/dbraw/zinc/94/20/55/824942055.db2.gz XEBWIXODADUWGI-JTQLQIEISA-N 2 0 265.317 -0.852 20 0 CBADRP COC(=O)C1(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCCC1 ZINC001220047716 824944186 /nfs/dbraw/zinc/94/41/86/824944186.db2.gz DAJUDZYZHBVXME-NSHDSACASA-N 2 0 283.372 -0.085 20 0 CBADRP C[NH2+]CCNC(=O)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001220054610 824945314 /nfs/dbraw/zinc/94/53/14/824945314.db2.gz KDFJVOWPWPPUNW-GFCCVEGCSA-N 2 0 254.378 -0.604 20 0 CBADRP C[NH2+]CCNC(=O)C[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220053182 824946046 /nfs/dbraw/zinc/94/60/46/824946046.db2.gz XWKVFBUZYSFWQP-DGCLKSJQSA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH2+]CCNC(=O)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001220055863 824946687 /nfs/dbraw/zinc/94/66/87/824946687.db2.gz GGDRNFPWTPHQGM-VXGBXAGGSA-N 2 0 254.378 -0.462 20 0 CBADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001220062227 824947203 /nfs/dbraw/zinc/94/72/03/824947203.db2.gz QUNQKTRADRBZBK-FRRDWIJNSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH2+]CCNC(=O)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001220054861 824947356 /nfs/dbraw/zinc/94/73/56/824947356.db2.gz WDJYRKSHCCUXKW-STQMWFEESA-N 2 0 265.357 -0.357 20 0 CBADRP C[NH2+]CCNC(=O)[C@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001220055861 824947466 /nfs/dbraw/zinc/94/74/66/824947466.db2.gz GGDRNFPWTPHQGM-NWDGAFQWSA-N 2 0 254.378 -0.462 20 0 CBADRP C[NH2+]CCNC(=O)[C@@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001220055862 824947818 /nfs/dbraw/zinc/94/78/18/824947818.db2.gz GGDRNFPWTPHQGM-RYUDHWBXSA-N 2 0 254.378 -0.462 20 0 CBADRP CCOC(=O)C(C)(C)NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220063766 824948510 /nfs/dbraw/zinc/94/85/10/824948510.db2.gz BPVRINSLADNRRD-SNVBAGLBSA-N 2 0 271.361 -0.229 20 0 CBADRP C[NH2+]CCCCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220077496 824950256 /nfs/dbraw/zinc/95/02/56/824950256.db2.gz MHCKRVNUAWAWMZ-GFCCVEGCSA-N 3 0 268.405 -0.024 20 0 CBADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)CCCC1 ZINC001220078539 824951544 /nfs/dbraw/zinc/95/15/44/824951544.db2.gz USSVZVRVOXAXQQ-OLZOCXBDSA-N 2 0 299.415 -0.596 20 0 CBADRP C[C@H]1CC[NH2+][C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001220101236 824954309 /nfs/dbraw/zinc/95/43/09/824954309.db2.gz FBMYNGXWIOTNTP-UWVGGRQHSA-N 3 0 255.366 -0.165 20 0 CBADRP Cn1cc(N)nc1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220103525 824954788 /nfs/dbraw/zinc/95/47/88/824954788.db2.gz VPXPRWWISYWJIU-UHFFFAOYSA-N 2 0 253.310 -0.923 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220103089 824954924 /nfs/dbraw/zinc/95/49/24/824954924.db2.gz GGEMVRDGDMGNTO-JTQLQIEISA-N 4 0 272.397 -0.706 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001220101238 824955322 /nfs/dbraw/zinc/95/53/22/824955322.db2.gz FBMYNGXWIOTNTP-ZJUUUORDSA-N 3 0 255.366 -0.165 20 0 CBADRP N=C(NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)SCC[NH3+] ZINC001220106248 824955835 /nfs/dbraw/zinc/95/58/35/824955835.db2.gz GKUMZKGILDBLON-VIFPVBQESA-N 3 0 285.417 -0.397 20 0 CBADRP N=C(NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)SCC[NH3+] ZINC001220106249 824956702 /nfs/dbraw/zinc/95/67/02/824956702.db2.gz GLGNVSPOINMZNF-MRVPVSSYSA-N 3 0 259.379 -0.944 20 0 CBADRP N=C(NC(=O)CNC1CC[NH2+]CC1)SCC[NH3+] ZINC001220106307 824957005 /nfs/dbraw/zinc/95/70/05/824957005.db2.gz IMGJELYKYYPWEB-UHFFFAOYSA-N 2 0 259.379 -0.929 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@@H](O)c1ccc(O)cc1 ZINC001220113530 824958309 /nfs/dbraw/zinc/95/83/09/824958309.db2.gz WRDOVTJDKPFAMU-NWDGAFQWSA-N 2 0 299.396 -0.439 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@@H](O)c1ccc(O)cc1 ZINC001220113243 824958410 /nfs/dbraw/zinc/95/84/10/824958410.db2.gz OJEBWZWSQCUFAA-QWHCGFSZSA-N 2 0 281.356 -0.002 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CCC[NH3+])[C@@H](C)OC1 ZINC001220136839 824963551 /nfs/dbraw/zinc/96/35/51/824963551.db2.gz IUFAITQHPHJRRS-SCZZXKLOSA-N 2 0 285.344 -0.595 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@@H]1C[C@H]([NH3+])C1)C1CCC(O)CC1 ZINC001220150029 824969814 /nfs/dbraw/zinc/96/98/14/824969814.db2.gz NLMFVLGLWXJVCJ-GDFINNJYSA-N 2 0 255.362 -0.282 20 0 CBADRP O=C(NC1CC(CO)(CO)C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220151724 824970011 /nfs/dbraw/zinc/97/00/11/824970011.db2.gz FFEXHANJMKYKFT-GFCCVEGCSA-N 2 0 297.399 -0.890 20 0 CBADRP [NH3+]CC1(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)COC1 ZINC001220153834 824970838 /nfs/dbraw/zinc/97/08/38/824970838.db2.gz AELJJYDXRCMOCS-LBPRGKRZSA-N 2 0 261.325 -0.455 20 0 CBADRP [NH3+]CC1(NC(=O)[C@@H]([NH3+])C2Cc3ccccc3C2)COC1 ZINC001220154010 824971526 /nfs/dbraw/zinc/97/15/26/824971526.db2.gz HSUALPONQGCLGE-ZDUSSCGKSA-N 2 0 275.352 -0.427 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC1(C[NH3+])COC1 ZINC001220157040 824973661 /nfs/dbraw/zinc/97/36/61/824973661.db2.gz VHSTZLSCXBRNTL-NSHDSACASA-N 3 0 272.393 -0.674 20 0 CBADRP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220161402 824974486 /nfs/dbraw/zinc/97/44/86/824974486.db2.gz CGJAHHJFMBABAZ-XRGAULLZSA-N 2 0 292.427 -0.024 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220163034 824974879 /nfs/dbraw/zinc/97/48/79/824974879.db2.gz OEUKAQCJROGMAW-MDZLAQPJSA-N 2 0 254.378 -0.299 20 0 CBADRP CC(C)N1CC(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001220159411 824974898 /nfs/dbraw/zinc/97/48/98/824974898.db2.gz OHZBQYBWQLWESH-LBPRGKRZSA-N 2 0 254.378 -0.478 20 0 CBADRP O=C(NC1(CCO)COC1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220174157 824978379 /nfs/dbraw/zinc/97/83/79/824978379.db2.gz WENWISMUXMLUIJ-NSHDSACASA-N 2 0 283.372 -0.872 20 0 CBADRP Cc1ncc(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cn1 ZINC001220177928 824979806 /nfs/dbraw/zinc/97/98/06/824979806.db2.gz WDFQNKKEQFSMBE-CYBMUJFWSA-N 2 0 292.387 -0.848 20 0 CBADRP Cn1ccc(CNC(=O)[C@@H]([NH3+])CCC[NH3+])cc1=O ZINC001220180044 824979899 /nfs/dbraw/zinc/97/98/99/824979899.db2.gz ZCEFZKRDZYYYCX-JTQLQIEISA-N 2 0 252.318 -0.932 20 0 CBADRP O=C(NCC1CC(=O)C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220178083 824979946 /nfs/dbraw/zinc/97/99/46/824979946.db2.gz ZGGGRUWTBZIFBZ-LBPRGKRZSA-N 2 0 265.357 -0.044 20 0 CBADRP C[C@@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1cncnc1 ZINC001220183558 824980740 /nfs/dbraw/zinc/98/07/40/824980740.db2.gz SFTSWEHOGHAOOP-SCZZXKLOSA-N 2 0 269.374 -0.327 20 0 CBADRP COc1ccnc(C(=N)NC(=O)C[C@@H]([NH3+])CCCC[NH3+])n1 ZINC001220183592 824980804 /nfs/dbraw/zinc/98/08/04/824980804.db2.gz UBTMNNHLRXBDFG-VIFPVBQESA-N 2 0 294.359 -0.227 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1cc(OC2COC2)ccn1 ZINC001220183018 824981400 /nfs/dbraw/zinc/98/14/00/824981400.db2.gz AOYBISXMCDZZRO-CYBMUJFWSA-N 2 0 294.355 -0.458 20 0 CBADRP C[C@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)c1cncnc1 ZINC001220183197 824981643 /nfs/dbraw/zinc/98/16/43/824981643.db2.gz HWKVOGRHROJLLG-GWCFXTLKSA-N 2 0 292.387 -0.596 20 0 CBADRP CC1(C)C[C@H](CNC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)O1 ZINC001220197873 824984230 /nfs/dbraw/zinc/98/42/30/824984230.db2.gz VDHRAQCNSHLIJW-ZJUUUORDSA-N 2 0 252.318 -0.037 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC001220200604 824985816 /nfs/dbraw/zinc/98/58/16/824985816.db2.gz ORPFEGGKVDVQDA-CHWSQXEVSA-N 2 0 285.388 -0.674 20 0 CBADRP CC1(C)C[C@@H](CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)O1 ZINC001220200584 824985980 /nfs/dbraw/zinc/98/59/80/824985980.db2.gz OIGKTEAEQDJKPZ-UWVGGRQHSA-N 2 0 253.346 -0.521 20 0 CBADRP [NH3+][C@@H](C(=O)NC1(c2cccnn2)CC1)C1CC[NH2+]CC1 ZINC001220210004 824987131 /nfs/dbraw/zinc/98/71/31/824987131.db2.gz MYGDXBWWJDXXDL-GFCCVEGCSA-N 2 0 275.356 -0.091 20 0 CBADRP O=C(NC1(c2cccnn2)CC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220209702 824987347 /nfs/dbraw/zinc/98/73/47/824987347.db2.gz AWRAJUNXJHNPME-JTQLQIEISA-N 2 0 273.340 -0.609 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCCC(N)=O ZINC001220276282 825002549 /nfs/dbraw/zinc/00/25/49/825002549.db2.gz CCOPYPFRHDNWLJ-JTQLQIEISA-N 2 0 258.366 -0.526 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220220674 824990007 /nfs/dbraw/zinc/99/00/07/824990007.db2.gz AOTWAKWXEWDBPP-WOPDTQHZSA-N 2 0 299.419 -0.249 20 0 CBADRP CN1C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC[NH3+])CC1=O ZINC001220245131 824993381 /nfs/dbraw/zinc/99/33/81/824993381.db2.gz HKQGODMJZSUYEM-ZJUUUORDSA-N 2 0 256.350 -0.963 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220251801 824996177 /nfs/dbraw/zinc/99/61/77/824996177.db2.gz FYTNKMJKHXIOCQ-CHWSQXEVSA-N 3 0 268.405 -0.086 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220252266 824996235 /nfs/dbraw/zinc/99/62/35/824996235.db2.gz UDWCYASKTATQHN-BZPMIXESSA-N 2 0 266.389 -0.462 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220252024 824996990 /nfs/dbraw/zinc/99/69/90/824996990.db2.gz LUJJLOLOERRUMP-RYUDHWBXSA-N 3 0 266.389 -0.604 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220252268 824997085 /nfs/dbraw/zinc/99/70/85/824997085.db2.gz UDWCYASKTATQHN-SCRDCRAPSA-N 2 0 266.389 -0.462 20 0 CBADRP [NH3+]CCN(C(=O)[C@@H]([NH3+])Cc1cnc[nH]1)c1cccnc1 ZINC001220261094 824997529 /nfs/dbraw/zinc/99/75/29/824997529.db2.gz QLWUZANTIVOTQN-LBPRGKRZSA-N 2 0 274.328 -0.334 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220254780 824997730 /nfs/dbraw/zinc/99/77/30/824997730.db2.gz XCADZZGCSDDFKE-QWRGUYRKSA-N 3 0 274.434 -0.394 20 0 CBADRP [NH3+]CCN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1cccnc1 ZINC001220260900 824998293 /nfs/dbraw/zinc/99/82/93/824998293.db2.gz JUYUYGLROQOYHJ-QWRGUYRKSA-N 2 0 250.302 -0.904 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@]1(N)CCC[NH2+]C1 ZINC001220254807 824998524 /nfs/dbraw/zinc/99/85/24/824998524.db2.gz YKOMBMGLGQFMDN-ZDUSSCGKSA-N 2 0 256.394 -0.229 20 0 CBADRP CC1(C)OCC(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CO1 ZINC001220270751 825000147 /nfs/dbraw/zinc/00/01/47/825000147.db2.gz FFGKVESHHRCZAL-NSHDSACASA-N 2 0 271.361 -0.419 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001220277143 825002958 /nfs/dbraw/zinc/00/29/58/825002958.db2.gz SBJVWQCHIQPGCN-MJBXVCDLSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)OC ZINC001220276497 825003607 /nfs/dbraw/zinc/00/36/07/825003607.db2.gz COYHRSFTUSQZRA-XQQFMLRXSA-N 2 0 287.404 -0.476 20 0 CBADRP Cn1cc(CCNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)cn1 ZINC001220276457 825003703 /nfs/dbraw/zinc/00/37/03/825003703.db2.gz KSOHAXYUDDDTHY-GFCCVEGCSA-N 2 0 265.361 -0.594 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001220277147 825003889 /nfs/dbraw/zinc/00/38/89/825003889.db2.gz SHXIGJUMKYYDFK-MCIONIFRSA-N 2 0 299.415 -0.332 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001220282817 825004862 /nfs/dbraw/zinc/00/48/62/825004862.db2.gz NWASUNZSHUQLQT-AVGNSLFASA-N 2 0 266.389 -0.462 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC001220286263 825005025 /nfs/dbraw/zinc/00/50/25/825005025.db2.gz DWAVRGWWYFVKDD-GFCCVEGCSA-N 2 0 296.346 -0.262 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC001220281903 825005116 /nfs/dbraw/zinc/00/51/16/825005116.db2.gz CZEBAZADCKATHI-QWRGUYRKSA-N 2 0 256.350 -0.902 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CC[NH2+]C1 ZINC001220281957 825005632 /nfs/dbraw/zinc/00/56/32/825005632.db2.gz DQOPVGFLCWIGTG-STQMWFEESA-N 2 0 290.367 -0.849 20 0 CBADRP COCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220290080 825007979 /nfs/dbraw/zinc/00/79/79/825007979.db2.gz MNKHOPYQMGRXTO-FRRDWIJNSA-N 2 0 287.404 -0.620 20 0 CBADRP C[N@@H+]1CCCN(CCNC(=O)CNC2CC[NH2+]CC2)CC1 ZINC001220304221 825009691 /nfs/dbraw/zinc/00/96/91/825009691.db2.gz USYCWFBMZMIBLV-UHFFFAOYSA-N 2 0 297.447 -0.918 20 0 CBADRP C[C@@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)c1cnn(C)c1 ZINC001220308628 825011443 /nfs/dbraw/zinc/01/14/43/825011443.db2.gz NDESZKWGCJKNDY-MFKMUULPSA-N 2 0 294.403 -0.652 20 0 CBADRP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001220317040 825013847 /nfs/dbraw/zinc/01/38/47/825013847.db2.gz VDJHLCKLPVCXCX-ROEYZRMQSA-N 2 0 265.357 -0.521 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220319451 825014138 /nfs/dbraw/zinc/01/41/38/825014138.db2.gz GNMFIMVSFGZIRS-KCQAQPDRSA-N 3 0 298.431 -0.140 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@]1(N)CC[NH2+]C1 ZINC001220335972 825016606 /nfs/dbraw/zinc/01/66/06/825016606.db2.gz ZUNXMUTURAEATN-OCCSQVGLSA-N 2 0 268.405 -0.086 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CC12CCOCC2 ZINC001220334010 825016653 /nfs/dbraw/zinc/01/66/53/825016653.db2.gz YXSXYBYEPDMJTA-CHWSQXEVSA-N 2 0 296.415 -0.578 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@]1(N)CC[NH2+]C1 ZINC001220335973 825016671 /nfs/dbraw/zinc/01/66/71/825016671.db2.gz ZUNXMUTURAEATN-TZMCWYRMSA-N 2 0 268.405 -0.086 20 0 CBADRP COCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001220355395 825019384 /nfs/dbraw/zinc/01/93/84/825019384.db2.gz OFJCDCZMBZYBND-MCIONIFRSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H](NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)c1cnccn1 ZINC001220369085 825020814 /nfs/dbraw/zinc/02/08/14/825020814.db2.gz SMEUISVCSDFPSK-JOYOIKCWSA-N 2 0 263.345 -0.019 20 0 CBADRP CCOC(=O)C1(CNC(=O)[C@H]([NH3+])CCC[NH3+])CCC1 ZINC001220371035 825021130 /nfs/dbraw/zinc/02/11/30/825021130.db2.gz MWSLUEQXKSWVFW-SNVBAGLBSA-N 2 0 271.361 -0.098 20 0 CBADRP C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1cnccn1 ZINC001220368730 825021507 /nfs/dbraw/zinc/02/15/07/825021507.db2.gz LKWCSLBTZJIZKD-JTNHKYCSSA-N 2 0 275.356 -0.147 20 0 CBADRP C[C@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1cnccn1 ZINC001220368885 825022107 /nfs/dbraw/zinc/02/21/07/825022107.db2.gz OPOQFTRAYUPVDB-UWVGGRQHSA-N 2 0 261.329 -0.537 20 0 CBADRP [NH3+]Cc1ccc2c(n1)N(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)CCC2 ZINC001220376929 825023719 /nfs/dbraw/zinc/02/37/19/825023719.db2.gz DRROPKCDUBXGMN-VXGBXAGGSA-N 2 0 276.340 -0.458 20 0 CBADRP C[C@@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)c1cnccn1 ZINC001220371605 825024083 /nfs/dbraw/zinc/02/40/83/825024083.db2.gz XFNOFCUXBVABMR-PWSUYJOCSA-N 2 0 292.387 -0.596 20 0 CBADRP CN1CCOC[C@@H]1CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220382231 825025229 /nfs/dbraw/zinc/02/52/29/825025229.db2.gz TYRMNKKFJBGZMD-STQMWFEESA-N 2 0 296.415 -0.693 20 0 CBADRP [NH3+][C@H](C(=O)NCc1ncccc1O)C1CC[NH2+]CC1 ZINC001220390290 825026198 /nfs/dbraw/zinc/02/61/98/825026198.db2.gz WXEPGBZPBOQESX-LBPRGKRZSA-N 2 0 264.329 -0.270 20 0 CBADRP C[NH+](C)CCC(C)(C)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220386461 825026492 /nfs/dbraw/zinc/02/64/92/825026492.db2.gz UZHURKAWABZYCX-ZDUSSCGKSA-N 3 0 299.463 -0.417 20 0 CBADRP C[NH+](C)CCC(C)(C)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220386230 825026783 /nfs/dbraw/zinc/02/67/83/825026783.db2.gz LHMWVSQNNSJGDR-LLVKDONJSA-N 3 0 268.405 -0.358 20 0 CBADRP C[NH+](C)CCC(C)(C)NC(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220385923 825027543 /nfs/dbraw/zinc/02/75/43/825027543.db2.gz DKLRFXIHNAKHNC-BXUZGUMPSA-N 2 0 268.405 -0.216 20 0 CBADRP COc1ccc(CCNC(=O)[C@H]([NH3+])CCC[NH3+])nc1 ZINC001220396397 825028448 /nfs/dbraw/zinc/02/84/48/825028448.db2.gz ADDKIEFCBFZASG-GFCCVEGCSA-N 2 0 266.345 -0.185 20 0 CBADRP C=CC(=O)NCCNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220394784 825028794 /nfs/dbraw/zinc/02/87/94/825028794.db2.gz NBVBMFKMZJZFAV-NSHDSACASA-N 2 0 270.377 -0.536 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NCC12CC[NH+](CC1)CC2 ZINC001220394838 825029008 /nfs/dbraw/zinc/02/90/08/825029008.db2.gz NRYDEBRYVDIIPX-UHFFFAOYSA-N 2 0 266.389 -0.506 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@H]1c2ccccc2CNC1=O ZINC001220403313 825031742 /nfs/dbraw/zinc/03/17/42/825031742.db2.gz NJZNTJQBJSMLLX-NEPJUHHUSA-N 2 0 276.340 -0.460 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001220405772 825031758 /nfs/dbraw/zinc/03/17/58/825031758.db2.gz CYQBOVZXZSJWPS-BBBLOLIVSA-N 2 0 257.334 -0.490 20 0 CBADRP COC(=O)[C@@H]1CC[C@H](NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001220405724 825031863 /nfs/dbraw/zinc/03/18/63/825031863.db2.gz CKGUWCTYHORSLS-GRYCIOLGSA-N 2 0 283.372 -0.229 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@@H]1c2ccccc2CNC1=O ZINC001220403316 825031991 /nfs/dbraw/zinc/03/19/91/825031991.db2.gz NJZNTJQBJSMLLX-VXGBXAGGSA-N 2 0 276.340 -0.460 20 0 CBADRP CNOCCNC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001220403462 825032339 /nfs/dbraw/zinc/03/23/39/825032339.db2.gz RQKPKDVZWBLWFZ-NSHDSACASA-N 2 0 260.382 -0.251 20 0 CBADRP COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001220406760 825033127 /nfs/dbraw/zinc/03/31/27/825033127.db2.gz WOKHWNFMYYQKJI-UTLUCORTSA-N 2 0 289.401 -0.537 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1ccc2n[nH]nc2c1 ZINC001220424804 825035965 /nfs/dbraw/zinc/03/59/65/825035965.db2.gz VBVUHZQRQAZYTR-VIFPVBQESA-N 2 0 262.317 -0.360 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001220429220 825037109 /nfs/dbraw/zinc/03/71/09/825037109.db2.gz NQQYFRDVMRIDQX-GZBFAFLISA-N 2 0 297.399 -0.360 20 0 CBADRP Cn1c(=O)cc(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)[nH]c1=O ZINC001220424940 825037729 /nfs/dbraw/zinc/03/77/29/825037729.db2.gz ZJSXETDNTJCCDG-VIFPVBQESA-N 2 0 297.359 -0.516 20 0 CBADRP [NH3+][C@@H](C(=O)N[C@H](CO)C(F)(F)F)C1CC[NH2+]CC1 ZINC001220447055 825038598 /nfs/dbraw/zinc/03/85/98/825038598.db2.gz BRVWHESQSSXTOL-HTQZYQBOSA-N 2 0 269.267 -0.647 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@@H](CO)C(F)(F)F ZINC001220447251 825041660 /nfs/dbraw/zinc/04/16/60/825041660.db2.gz FIGHBIPVRGHGNC-WDSKDSINSA-N 2 0 275.296 -0.955 20 0 CBADRP CC(C)NC(=O)[C@@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C(C)C ZINC001220462677 825044273 /nfs/dbraw/zinc/04/42/73/825044273.db2.gz KKJBVGINBDDQPT-NEPJUHHUSA-N 2 0 296.415 -0.539 20 0 CBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)O1 ZINC001220481410 825046834 /nfs/dbraw/zinc/04/68/34/825046834.db2.gz GNRKHPIMXHCTQF-NMKXLXIOSA-N 2 0 285.388 -0.173 20 0 CBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2CCCC[NH2+]2)O1 ZINC001220481766 825049053 /nfs/dbraw/zinc/04/90/53/825049053.db2.gz QOBSUOQNXHAZEA-SFTQSGBHSA-N 2 0 285.388 -0.031 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NCC1([NH3+])CCCC1 ZINC001220496726 825050124 /nfs/dbraw/zinc/05/01/24/825050124.db2.gz FABFDBZETHGWHF-JTQLQIEISA-N 2 0 268.361 -0.676 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)NCC1([NH3+])CCCC1 ZINC001220494611 825050679 /nfs/dbraw/zinc/05/06/79/825050679.db2.gz PISNCBSIJNIJKK-SNVBAGLBSA-N 2 0 251.334 -0.333 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001220502038 825051784 /nfs/dbraw/zinc/05/17/84/825051784.db2.gz XVNKVDHNORQSCQ-RYUDHWBXSA-N 3 0 250.346 -0.131 20 0 CBADRP [NH3+][C@@H](CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1ccccc1 ZINC001220499991 825052155 /nfs/dbraw/zinc/05/21/55/825052155.db2.gz GEBLDINUWHSWPA-OLZOCXBDSA-N 3 0 274.368 -0.388 20 0 CBADRP [NH3+]CCOCCOCCNC(=O)CC1CC[NH2+]CC1 ZINC001220519477 825053019 /nfs/dbraw/zinc/05/30/19/825053019.db2.gz PKLCWCYKESNNKN-UHFFFAOYSA-N 2 0 273.377 -0.516 20 0 CBADRP CN(CC[NH3+])CCNC(=O)[C@@H]([NH3+])Cc1cccc(O)c1 ZINC001220517739 825053319 /nfs/dbraw/zinc/05/33/19/825053319.db2.gz XYPKKORBRLGTFP-ZDUSSCGKSA-N 2 0 280.372 -0.731 20 0 CBADRP CN(CC[NH3+])CCNC(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001220515622 825053335 /nfs/dbraw/zinc/05/33/35/825053335.db2.gz HUKXHJPIKNVKCJ-UKRRQHHQSA-N 2 0 298.431 -0.458 20 0 CBADRP CN(CC[NH3+])CCNC(=O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001220517195 825053958 /nfs/dbraw/zinc/05/39/58/825053958.db2.gz AEDPZLZNABNRKX-ZIAGYGMSSA-N 2 0 297.447 -0.933 20 0 CBADRP COc1cccc(C[C@H]([NH3+])C(=O)NCCN(C)CC[NH3+])c1 ZINC001220517747 825054453 /nfs/dbraw/zinc/05/44/53/825054453.db2.gz YFOXZQWHDUYXEG-AWEZNQCLSA-N 2 0 294.399 -0.428 20 0 CBADRP CN(CC[NH3+])CCNC(=O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001220517193 825054941 /nfs/dbraw/zinc/05/49/41/825054941.db2.gz AEDPZLZNABNRKX-KGLIPLIRSA-N 2 0 297.447 -0.933 20 0 CBADRP CCOC(=O)C1=C(NC(=O)CC[NH2+]C)CC[NH2+]C1 ZINC001220522639 825057154 /nfs/dbraw/zinc/05/71/54/825057154.db2.gz BVBQUCWJCLCOCH-UHFFFAOYSA-N 2 0 255.318 -0.477 20 0 CBADRP C[C@H](NC(=O)[C@H]([NH3+])CCC[NH3+])[C@H](O)c1cccc(O)c1 ZINC001220546025 825060634 /nfs/dbraw/zinc/06/06/34/825060634.db2.gz AAOUVHCIHLKWSF-BIMULSAOSA-N 2 0 281.356 -0.004 20 0 CBADRP COC(=O)[C@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])C(F)(F)F ZINC001220588566 825070466 /nfs/dbraw/zinc/07/04/66/825070466.db2.gz VAESVSBLYDAFDN-WDSKDSINSA-N 2 0 271.239 -0.727 20 0 CBADRP COC(=O)[C@@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C(F)(F)F ZINC001220588318 825071566 /nfs/dbraw/zinc/07/15/66/825071566.db2.gz SLEIQAXWCIXBHR-NKWVEPMBSA-N 2 0 295.261 -0.985 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)C[C@H]1CCC[NH2+]C1 ZINC001220583767 825071868 /nfs/dbraw/zinc/07/18/68/825071868.db2.gz XZQOCCJOQFESJE-LLVKDONJSA-N 2 0 271.361 -0.274 20 0 CBADRP CN1CCC[C@H](NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1=O ZINC001220591031 825072832 /nfs/dbraw/zinc/07/28/32/825072832.db2.gz UTVSZHAIOWGHOZ-QWRGUYRKSA-N 2 0 268.361 -0.950 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@@H]1NC(=O)c2ccccc21 ZINC001220620531 825078368 /nfs/dbraw/zinc/07/83/68/825078368.db2.gz XTZAIQKGJOAILZ-QWRGUYRKSA-N 2 0 294.380 -0.436 20 0 CBADRP [NH3+][C@@H](C(=O)N[C@@H]1NC(=O)c2ccccc21)C1CC[NH2+]CC1 ZINC001220620181 825078521 /nfs/dbraw/zinc/07/85/21/825078521.db2.gz QEEWFQAWJTYCAA-OLZOCXBDSA-N 2 0 288.351 -0.128 20 0 CBADRP N[C@@]1(C(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCC[NH2+]C1 ZINC001220680411 825084716 /nfs/dbraw/zinc/08/47/16/825084716.db2.gz AOGSNPCILGEGCR-SFTQSGBHSA-N 2 0 266.389 -0.143 20 0 CBADRP [NH3+]Cc1ncccc1NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220710748 825090663 /nfs/dbraw/zinc/09/06/63/825090663.db2.gz ARWJCDDFXHTUMS-PTOFAABTSA-N 2 0 261.329 -0.571 20 0 CBADRP [NH3+]Cc1ncccc1NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001220711033 825091247 /nfs/dbraw/zinc/09/12/47/825091247.db2.gz INPGEKVQXFRYEH-VIFPVBQESA-N 2 0 260.301 -0.228 20 0 CBADRP O=C(NC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220743471 825094887 /nfs/dbraw/zinc/09/48/87/825094887.db2.gz DLKSGWIMDJCUAM-KBPBESRZSA-N 2 0 290.367 -0.111 20 0 CBADRP COC(CCCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)OC ZINC001220741063 825095245 /nfs/dbraw/zinc/09/52/45/825095245.db2.gz CUXFRAWDCWJDIA-SNVBAGLBSA-N 2 0 271.361 -0.689 20 0 CBADRP COC(CCCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)OC ZINC001220741332 825095702 /nfs/dbraw/zinc/09/57/02/825095702.db2.gz LSSGDMDNSCCSCK-LBPRGKRZSA-N 2 0 273.377 -0.171 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001220743549 825095907 /nfs/dbraw/zinc/09/59/07/825095907.db2.gz HBOWNEJOALMLDZ-CYBMUJFWSA-N 2 0 278.356 -0.124 20 0 CBADRP CC(=O)NC[C@@H](C)CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220756756 825097441 /nfs/dbraw/zinc/09/74/41/825097441.db2.gz JGQTUKJCUGZDHH-MPKXVKKWSA-N 2 0 282.388 -0.926 20 0 CBADRP CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220766485 825099086 /nfs/dbraw/zinc/09/90/86/825099086.db2.gz TUFPJFSGRJKCLW-SDDRHHMPSA-N 2 0 284.404 -0.988 20 0 CBADRP CC(C)=CC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764279 825099116 /nfs/dbraw/zinc/09/91/16/825099116.db2.gz FQIYBJQMNYDVEK-KGLIPLIRSA-N 2 0 299.415 -0.308 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H]1C[C@@H](O)C1(C)C ZINC001220766245 825099820 /nfs/dbraw/zinc/09/98/20/825099820.db2.gz OMZJETCOJOQQSL-GARJFASQSA-N 2 0 257.378 -0.021 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@@]34C[NH2+]C[C@H]3CCN4)(C1)CCC2 ZINC001220777514 825100925 /nfs/dbraw/zinc/10/09/25/825100925.db2.gz UCEMYCHZFSVUSV-FAAHXZRKSA-N 2 0 278.400 -0.142 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@H]3[NH2+]CC[C@@H]3O)(C1)CCC2 ZINC001220780806 825101104 /nfs/dbraw/zinc/10/11/04/825101104.db2.gz NQHIVTBZILNHPC-XRRVDJEJSA-N 2 0 253.346 -0.371 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@H]3C[NH2+]C[C@H]3O)(C1)CCC2 ZINC001220779459 825101226 /nfs/dbraw/zinc/10/12/26/825101226.db2.gz TXUJEBHVGTWLND-JULQROHOSA-N 2 0 253.346 -0.513 20 0 CBADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220779278 825101460 /nfs/dbraw/zinc/10/14/60/825101460.db2.gz PVMWAMBBQKTCPL-ZNIXKSQXSA-N 2 0 282.388 -0.241 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220789870 825101960 /nfs/dbraw/zinc/10/19/60/825101960.db2.gz MWGSIVAUESOFOO-RFQIPJPRSA-N 2 0 290.367 -0.571 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220787970 825102081 /nfs/dbraw/zinc/10/20/81/825102081.db2.gz AAYNOKZFEOVFFE-REWJHTLYSA-N 2 0 290.367 -0.429 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220791086 825102768 /nfs/dbraw/zinc/10/27/68/825102768.db2.gz WTQNMOOSVXHCNT-UKRRQHHQSA-N 3 0 291.399 -0.213 20 0 CBADRP [NH3+]CCNCC(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220789549 825102842 /nfs/dbraw/zinc/10/28/42/825102842.db2.gz LPDIOJQULSAEPE-JSGCOSHPSA-N 2 0 277.372 -0.603 20 0 CBADRP [NH3+]CCNCC(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220803665 825104093 /nfs/dbraw/zinc/10/40/93/825104093.db2.gz JXRGDMIPKSYSEI-HTQZYQBOSA-N 2 0 268.283 -0.809 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@@H]1C[NH2+]CCN1 ZINC001220803693 825104102 /nfs/dbraw/zinc/10/41/02/825104102.db2.gz KBLOXGRWKGGUFQ-YIZRAAEISA-N 2 0 280.294 -0.796 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)C1 ZINC001220806043 825104155 /nfs/dbraw/zinc/10/41/55/825104155.db2.gz XEXRLXJMJRDRRX-JBDRJPRFSA-N 2 0 280.294 -0.668 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220802944 825104158 /nfs/dbraw/zinc/10/41/58/825104158.db2.gz AJMFLVTVLCATRW-KZVJFYERSA-N 2 0 280.294 -0.810 20 0 CBADRP COCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220802255 825104160 /nfs/dbraw/zinc/10/41/60/825104160.db2.gz UJQPRFIGSIIPPA-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220806155 825104436 /nfs/dbraw/zinc/10/44/36/825104436.db2.gz YLHCGXVOFNGBDM-JBDRJPRFSA-N 2 0 281.278 -0.634 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001220816942 825105773 /nfs/dbraw/zinc/10/57/73/825105773.db2.gz IHMAZKWOOMEXQE-OLZOCXBDSA-N 2 0 287.404 -0.738 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CCC3(C[NH2+]C3)O2)C[NH2+]C1 ZINC001220826967 825107055 /nfs/dbraw/zinc/10/70/55/825107055.db2.gz DJBPKUJTPJSFND-NSHDSACASA-N 2 0 295.339 -0.956 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]2CCCC[NH2+]C2)C[NH2+]C1 ZINC001220827087 825107387 /nfs/dbraw/zinc/10/73/87/825107387.db2.gz GXCMOTQKVGPXJE-JTQLQIEISA-N 2 0 281.356 -0.087 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H](C)[NH+](C)C)C[NH2+]C1 ZINC001220828093 825108077 /nfs/dbraw/zinc/10/80/77/825108077.db2.gz GIQJIKSJVOQQGL-QMMMGPOBSA-N 2 0 255.318 -0.527 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2[NH2+]C[C@H]3C[C@H]32)C[NH2+]C1 ZINC001220828331 825108114 /nfs/dbraw/zinc/10/81/14/825108114.db2.gz MBWWKWJOHBFNAQ-SOCHQFKDSA-N 2 0 265.313 -0.869 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(CCF)C[C@@H]1O ZINC001220829529 825108309 /nfs/dbraw/zinc/10/83/09/825108309.db2.gz WEYUKTZSWRAFCR-MNOVXSKESA-N 2 0 261.341 -0.541 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)C[NH2+]C1 ZINC001220827628 825108526 /nfs/dbraw/zinc/10/85/26/825108526.db2.gz WAMMIDWWGCVATH-VHSXEESVSA-N 2 0 281.356 -0.089 20 0 CBADRP CCOC(=O)[C@@H](C)CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220848680 825111121 /nfs/dbraw/zinc/11/11/21/825111121.db2.gz FVVVMHJJKHKPNA-MISXGVKJSA-N 2 0 283.372 -0.499 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C[NH2+]C1 ZINC001220850950 825112326 /nfs/dbraw/zinc/11/23/26/825112326.db2.gz BIRABZMZKJDFKL-ZJUUUORDSA-N 2 0 269.345 -0.604 20 0 CBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH3+] ZINC001220852865 825112463 /nfs/dbraw/zinc/11/24/63/825112463.db2.gz AHXXLHRXUAQYEM-GFCCVEGCSA-N 2 0 293.371 -0.463 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@@H]2CCCC[NH2+]C2)C[NH2+]C1 ZINC001220850933 825112636 /nfs/dbraw/zinc/11/26/36/825112636.db2.gz ATVIHXALBLOWLK-SNVBAGLBSA-N 2 0 269.345 -0.603 20 0 CBADRP CCOC(=O)C1(NC(=O)c2ccccc2C[NH3+])C[NH2+]C1 ZINC001220853199 825112741 /nfs/dbraw/zinc/11/27/41/825112741.db2.gz PTMGJNRIGVWSOD-UHFFFAOYSA-N 2 0 277.324 -0.220 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)C[NH2+]C1 ZINC001220851123 825112898 /nfs/dbraw/zinc/11/28/98/825112898.db2.gz IQJBVXUGDLQWHA-ZJUUUORDSA-N 2 0 269.345 -0.604 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001220857794 825113403 /nfs/dbraw/zinc/11/34/03/825113403.db2.gz RYMYIXJRRSNEHN-ZJUUUORDSA-N 2 0 253.350 -0.231 20 0 CBADRP NC1(C(=O)NCc2ccccc2C[NH3+])CC[NH2+]CC1 ZINC001220855292 825113733 /nfs/dbraw/zinc/11/37/33/825113733.db2.gz SVVYSGOZVDIVMB-UHFFFAOYSA-N 2 0 262.357 -0.158 20 0 CBADRP [NH3+]Cc1ccccc1CNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220855087 825113743 /nfs/dbraw/zinc/11/37/43/825113743.db2.gz LINBZMZXTRAXGZ-ZDUSSCGKSA-N 2 0 290.367 -0.908 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220859744 825114158 /nfs/dbraw/zinc/11/41/58/825114158.db2.gz LJNDZEZIVZUYIG-MXWKQRLJSA-N 2 0 285.388 -0.125 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCCO[C@@H]1CCCCO1 ZINC001220862329 825114960 /nfs/dbraw/zinc/11/49/60/825114960.db2.gz XLGPAPRDZXDVDT-WDEREUQCSA-N 2 0 259.350 -0.288 20 0 CBADRP COc1cncc(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001220871010 825116406 /nfs/dbraw/zinc/11/64/06/825116406.db2.gz RJWKHNAWABPYPY-LBPRGKRZSA-N 2 0 276.340 -0.485 20 0 CBADRP COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220881189 825118223 /nfs/dbraw/zinc/11/82/23/825118223.db2.gz FIHGKLBXVFZWKF-HBNTYKKESA-N 2 0 269.345 -0.761 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220881434 825118322 /nfs/dbraw/zinc/11/83/22/825118322.db2.gz KMAYEOMPYUBKNN-UTUOFQBUSA-N 2 0 295.383 -0.214 20 0 CBADRP COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220881433 825118341 /nfs/dbraw/zinc/11/83/41/825118341.db2.gz KMAYEOMPYUBKNN-TUAOUCFPSA-N 2 0 295.383 -0.214 20 0 CBADRP COC(=O)[C@H]1C[C@H]1CNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220881443 825118640 /nfs/dbraw/zinc/11/86/40/825118640.db2.gz KMSCZJOTOHIZEW-GUBZILKMSA-N 2 0 257.334 -0.632 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220881539 825118919 /nfs/dbraw/zinc/11/89/19/825118919.db2.gz MGUJRMDZIDSQAA-UTUOFQBUSA-N 2 0 285.388 -0.029 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220881188 825118955 /nfs/dbraw/zinc/11/89/55/825118955.db2.gz FIHGKLBXVFZWKF-GMTAPVOTSA-N 2 0 269.345 -0.761 20 0 CBADRP NC(=O)C1CC[NH+](CCC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC001220884821 825119385 /nfs/dbraw/zinc/11/93/85/825119385.db2.gz OEEHYZDXERHTMY-GFCCVEGCSA-N 2 0 282.388 -0.558 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CCSC12C[NH2+]C2 ZINC001220884817 825119654 /nfs/dbraw/zinc/11/96/54/825119654.db2.gz OCISSMKFBQLMJZ-NXEZZACHSA-N 2 0 255.387 -0.050 20 0 CBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220886574 825120038 /nfs/dbraw/zinc/12/00/38/825120038.db2.gz HEVIJHHYXDHKJB-UWVGGRQHSA-N 2 0 274.390 -0.991 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220900479 825122051 /nfs/dbraw/zinc/12/20/51/825122051.db2.gz KVEUEIJQMUGQIP-UWVGGRQHSA-N 2 0 288.352 -0.961 20 0 CBADRP [NH3+]CCN(CCNC(=O)[C@@H]([NH3+])c1ccccc1)N(O)N=O ZINC001220901261 825122332 /nfs/dbraw/zinc/12/23/32/825122332.db2.gz VYXFDZIKBLVCGL-NSHDSACASA-N 2 0 296.331 -0.649 20 0 CBADRP CCC(=O)N1CC[C@H](NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001220907141 825122427 /nfs/dbraw/zinc/12/24/27/825122427.db2.gz IVIRWNRZKLROBO-AAEUAGOBSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220900481 825122459 /nfs/dbraw/zinc/12/24/59/825122459.db2.gz KVEUEIJQMUGQIP-ZJUUUORDSA-N 2 0 288.352 -0.961 20 0 CBADRP C[C@H]1CC[NH2+][C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001220901212 825122556 /nfs/dbraw/zinc/12/25/56/825122556.db2.gz TVRSOLJVMCMDOL-UWVGGRQHSA-N 2 0 288.352 -0.961 20 0 CBADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)C2COC2)CC1 ZINC001220929790 825124242 /nfs/dbraw/zinc/12/42/42/825124242.db2.gz FJNOXEWTZJGGEB-WFFHOREQSA-N 2 0 283.372 -0.936 20 0 CBADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@@H]2CC[NH2+]2)C2COC2)CC1 ZINC001220930027 825124714 /nfs/dbraw/zinc/12/47/14/825124714.db2.gz KMPPIDSHQHKBAK-NHCYSSNCSA-N 2 0 253.346 -0.154 20 0 CBADRP [NH3+][C@H](Cc1cccc(O)c1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937755 825126909 /nfs/dbraw/zinc/12/69/09/825126909.db2.gz ZLJDFPUVNUUUIB-UONOGXRCSA-N 2 0 293.367 -0.243 20 0 CBADRP N[C@@H](C[NH3+])c1ccc(C(=O)NCCO[C@@H]2CC[NH2+]C2)cc1 ZINC001220939826 825127913 /nfs/dbraw/zinc/12/79/13/825127913.db2.gz XNRRWBYINGBTNM-KGLIPLIRSA-N 2 0 292.383 -0.247 20 0 CBADRP N=c1ncc(C[NH3+])cn1C(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001220951369 825128587 /nfs/dbraw/zinc/12/85/87/825128587.db2.gz YVTYTAVNCRKZJG-DTWKUNHWSA-N 2 0 253.281 -0.591 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)n1cc(C[NH3+])cnc1=N ZINC001220951027 825128602 /nfs/dbraw/zinc/12/86/02/825128602.db2.gz NTIUWYTXVAPPKH-JTQLQIEISA-N 3 0 266.349 -0.822 20 0 CBADRP CC(C)Oc1nccc(CNC(=O)[C@@H]([NH3+])CCC[NH3+])n1 ZINC001220988327 825131606 /nfs/dbraw/zinc/13/16/06/825131606.db2.gz IXPMPCRLEBQWAL-NSHDSACASA-N 2 0 281.360 -0.054 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCC1(c2cnccn2)CC1 ZINC001220992515 825131687 /nfs/dbraw/zinc/13/16/87/825131687.db2.gz OYOYKFVPUSOHCL-SNVBAGLBSA-N 2 0 263.345 -0.309 20 0 CBADRP Cc1nnc(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)o1 ZINC001221010589 825135876 /nfs/dbraw/zinc/13/58/76/825135876.db2.gz LRKOQKKZMUGTBM-SNVBAGLBSA-N 2 0 279.344 -0.132 20 0 CBADRP O=C(NCCc1nncs1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221013557 825136647 /nfs/dbraw/zinc/13/66/47/825136647.db2.gz RPVSBTZYBRMTAH-QMMMGPOBSA-N 2 0 267.358 -0.994 20 0 CBADRP COc1cc(C)[nH]c(=O)c1CNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001221015294 825136950 /nfs/dbraw/zinc/13/69/50/825136950.db2.gz CJHOMHZKUYGIDY-JTQLQIEISA-N 2 0 282.344 -0.213 20 0 CBADRP COC[C@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C1CC1 ZINC001221012995 825137145 /nfs/dbraw/zinc/13/71/45/825137145.db2.gz GUUSVJGPELKBEM-QWRGUYRKSA-N 2 0 253.346 -0.663 20 0 CBADRP [NH3+]CCNCC(=O)N(CC[NH3+])c1ccc(F)cc1 ZINC001221060945 825140488 /nfs/dbraw/zinc/14/04/88/825140488.db2.gz UTGNNPIQLJXKSN-UHFFFAOYSA-N 2 0 254.309 -0.334 20 0 CBADRP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073084 825142243 /nfs/dbraw/zinc/14/22/43/825142243.db2.gz FSJOJYAYIBUNMF-MCIONIFRSA-N 2 0 299.415 -0.596 20 0 CBADRP Cc1nccnc1CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221103796 825142872 /nfs/dbraw/zinc/14/28/72/825142872.db2.gz RFFOGPZASLQMNF-LBPRGKRZSA-N 2 0 292.387 -0.848 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1O ZINC001221093545 825144041 /nfs/dbraw/zinc/14/40/41/825144041.db2.gz PVULCFHTXKGPGU-NEPJUHHUSA-N 2 0 275.368 -0.153 20 0 CBADRP COCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221083439 825144076 /nfs/dbraw/zinc/14/40/76/825144076.db2.gz LOGLQDNBJCPPFM-OLZOCXBDSA-N 2 0 287.404 -0.476 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221114249 825145245 /nfs/dbraw/zinc/14/52/45/825145245.db2.gz SIOKXSNGGONBMN-LBPRGKRZSA-N 2 0 291.399 -0.505 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001221134298 825146067 /nfs/dbraw/zinc/14/60/67/825146067.db2.gz UPWYMFWBXIBUKU-LBPRGKRZSA-N 3 0 286.420 -0.201 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001221136527 825146914 /nfs/dbraw/zinc/14/69/14/825146914.db2.gz PZOVSWRPWNVAQW-CYBMUJFWSA-N 3 0 298.431 -0.330 20 0 CBADRP COCC1(CNC(=O)[C@H]([NH3+])CCC[NH3+])CCOCC1 ZINC001221176539 825150197 /nfs/dbraw/zinc/15/01/97/825150197.db2.gz CMIYPQBURMCCGS-LLVKDONJSA-N 2 0 273.377 -0.388 20 0 CBADRP [NH3+][C@@H](C(=O)NCc1nc2cc[nH]cc-2n1)C1CC[NH2+]CC1 ZINC001221194916 825153218 /nfs/dbraw/zinc/15/32/18/825153218.db2.gz XEAQIPLHSHUPKI-CYBMUJFWSA-N 2 0 288.355 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@](C)(NC(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001221240848 825157785 /nfs/dbraw/zinc/15/77/85/825157785.db2.gz FRNCQKQIRCTLDG-MFKMUULPSA-N 2 0 285.392 -0.637 20 0 CBADRP C[N@@H+]1CCC[C@@](C)(NC(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC001221241112 825158040 /nfs/dbraw/zinc/15/80/40/825158040.db2.gz OGIPMIOMROYORU-SWLSCSKDSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001221240893 825158061 /nfs/dbraw/zinc/15/80/61/825158061.db2.gz HCAWNJAANKBERS-LKAMGYQZSA-N 2 0 270.377 -0.528 20 0 CBADRP O=C(NCc1cc2ccccn2n1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221234959 825158141 /nfs/dbraw/zinc/15/81/41/825158141.db2.gz PGPNQTKNVALUMA-CYBMUJFWSA-N 2 0 285.351 -0.241 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001221239847 825159308 /nfs/dbraw/zinc/15/93/08/825159308.db2.gz VGIVLIAEWSUQLZ-AYGWYOGXSA-N 2 0 284.404 -0.140 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001221238643 825159377 /nfs/dbraw/zinc/15/93/77/825159377.db2.gz BAIFEWAHOOGHPG-PTOFAABTSA-N 2 0 251.334 -0.714 20 0 CBADRP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001221243218 825160730 /nfs/dbraw/zinc/16/07/30/825160730.db2.gz GSCYXKQRJXXHEF-SMDDNHRTSA-N 2 0 282.388 -0.463 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001221254885 825161641 /nfs/dbraw/zinc/16/16/41/825161641.db2.gz YQUAVAINTHZHHO-RYUDHWBXSA-N 3 0 256.394 -0.229 20 0 CBADRP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@@H]1C[NH2+]C[C@@H](O)C1 ZINC001221246297 825162370 /nfs/dbraw/zinc/16/23/70/825162370.db2.gz XAUVTBCHFCRKJL-KCQAQPDRSA-N 2 0 281.400 -0.005 20 0 CBADRP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221246179 825162507 /nfs/dbraw/zinc/16/25/07/825162507.db2.gz SDIUVTRHTQPUIX-XJKSGUPXSA-N 3 0 292.427 -0.166 20 0 CBADRP CC(C)(O)[C@H](F)CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221260121 825163596 /nfs/dbraw/zinc/16/35/96/825163596.db2.gz IFBPZWIMZYILCR-RKDXNWHRSA-N 2 0 259.325 -0.979 20 0 CBADRP O=C(N[C@H]1CCCNC(=O)C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221269558 825164929 /nfs/dbraw/zinc/16/49/29/825164929.db2.gz PZSNXKYHRZFYHB-RYUDHWBXSA-N 2 0 294.399 -0.355 20 0 CBADRP CC[C@H](C)[C@H](NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C(=O)N(C)C ZINC001221277940 825165672 /nfs/dbraw/zinc/16/56/72/825165672.db2.gz BSSZKSSMEDAMGB-UHTWSYAYSA-N 2 0 298.431 -0.068 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@H]1c2ccccc2NC1=O ZINC001221310005 825169306 /nfs/dbraw/zinc/16/93/06/825169306.db2.gz ZYSCEHBPODGDJC-WDEREUQCSA-N 2 0 276.340 -0.095 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@@H]1c2ccccc2NC1=O ZINC001221310000 825170109 /nfs/dbraw/zinc/17/01/09/825170109.db2.gz ZYSCEHBPODGDJC-GHMZBOCLSA-N 2 0 276.340 -0.095 20 0 CBADRP O=C(NCc1cnc(Cl)cn1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221319220 825170937 /nfs/dbraw/zinc/17/09/37/825170937.db2.gz QVLQSKFKBFGZIY-NOZJJQNGSA-N 2 0 295.774 -0.055 20 0 CBADRP Cc1cnc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])c(=O)[nH]1 ZINC001221328053 825170942 /nfs/dbraw/zinc/17/09/42/825170942.db2.gz IGHVYUFVIYTPNH-VIFPVBQESA-N 2 0 267.333 -0.137 20 0 CBADRP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[NH2+]CCN1 ZINC001221332365 825171925 /nfs/dbraw/zinc/17/19/25/825171925.db2.gz JROVSDINAAHJNE-KBPBESRZSA-N 2 0 274.368 -0.540 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221332410 825171977 /nfs/dbraw/zinc/17/19/77/825171977.db2.gz JYHSOYXZMSLVCP-IHRRRGAJSA-N 2 0 274.368 -0.555 20 0 CBADRP N[C@@]1(C(=O)N2Cc3ccccc3C[C@H]2C[NH3+])CCC[NH2+]C1 ZINC001221333209 825172442 /nfs/dbraw/zinc/17/24/42/825172442.db2.gz PVAOOFLBPMIXKS-HOCLYGCPSA-N 2 0 288.395 -0.021 20 0 CBADRP N[C@]1(C(=O)N2Cc3ccccc3C[C@H]2C[NH3+])CCC[NH2+]C1 ZINC001221333204 825172521 /nfs/dbraw/zinc/17/25/21/825172521.db2.gz PVAOOFLBPMIXKS-GOEBONIOSA-N 2 0 288.395 -0.021 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1ccc(-n2ccnn2)cc1 ZINC001221338708 825173990 /nfs/dbraw/zinc/17/39/90/825173990.db2.gz ROUVMJCXAQSDJU-CYBMUJFWSA-N 2 0 288.355 -0.050 20 0 CBADRP [NH3+]CCCCNC(=O)[C@H]1C[NH2+]CC12CCOCC2 ZINC001221345100 825175000 /nfs/dbraw/zinc/17/50/00/825175000.db2.gz OXRSKJGHOQXCLC-LLVKDONJSA-N 2 0 255.362 -0.142 20 0 CBADRP [NH3+][C@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1F)C1CC[NH2+]CC1 ZINC001221367915 825177120 /nfs/dbraw/zinc/17/71/20/825177120.db2.gz UMZXSICOGJQGIL-MXWKQRLJSA-N 3 0 258.341 -0.871 20 0 CBADRP COC1CC(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001221367991 825177132 /nfs/dbraw/zinc/17/71/32/825177132.db2.gz VKYMCPGQPXYEMV-GDKBPFBDSA-N 2 0 284.404 -0.722 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001221367671 825178172 /nfs/dbraw/zinc/17/81/72/825178172.db2.gz SMQIDHPMHSWSCM-XJFOESAGSA-N 2 0 298.406 -0.124 20 0 CBADRP CCCC(C[NH3+])(CCC)NC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001221373785 825179335 /nfs/dbraw/zinc/17/93/35/825179335.db2.gz NNYKSRWXNJLDMK-WDEREUQCSA-N 2 0 257.378 -0.019 20 0 CBADRP NC1=CC=C(C2CCN(C(=O)[C@H]3C[NH2+]C[C@H]3O)CC2)[NH2+]C1 ZINC001221392840 825179772 /nfs/dbraw/zinc/17/97/72/825179772.db2.gz OAGMXNRIRDAQIH-GXTWGEPZSA-N 2 0 292.383 -0.865 20 0 CBADRP NC1=CC=C(C2CCN(C(=O)[C@@]3(N)CC[NH2+]C3)CC2)[NH2+]C1 ZINC001221392311 825180310 /nfs/dbraw/zinc/18/03/10/825180310.db2.gz KZCFULOLONKXLS-OAHLLOKOSA-N 2 0 291.399 -0.755 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1nc(N)cn1C ZINC001221391010 825180484 /nfs/dbraw/zinc/18/04/84/825180484.db2.gz JVWMKVQIEYUNNE-UHFFFAOYSA-N 2 0 281.364 -0.320 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H](N)CCCC[NH3+] ZINC001221391506 825180578 /nfs/dbraw/zinc/18/05/78/825180578.db2.gz XJRXSJDCHJIFAA-NSHDSACASA-N 3 0 286.424 -0.493 20 0 CBADRP NC1=CC=C(C2CCN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)CC2)[NH2+]C1 ZINC001221391707 825180649 /nfs/dbraw/zinc/18/06/49/825180649.db2.gz FUGXRXXZYWZAQF-OCCSQVGLSA-N 2 0 291.399 -0.756 20 0 CBADRP CC(C)N(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(C)(C)C[NH3+] ZINC001221395691 825180939 /nfs/dbraw/zinc/18/09/39/825180939.db2.gz YFHRMGRUOAOBRX-NSHDSACASA-N 2 0 284.404 -0.090 20 0 CBADRP CC(C)N(C(=O)[C@@H]([NH3+])CSCC[NH3+])C(C)(C)C[NH3+] ZINC001221395031 825181294 /nfs/dbraw/zinc/18/12/94/825181294.db2.gz LWTMGNXFQHICAM-JTQLQIEISA-N 3 0 276.450 -0.020 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NCCOc1ccncc1 ZINC001221394267 825181412 /nfs/dbraw/zinc/18/14/12/825181412.db2.gz YRUGTAKIKRFUJV-NSHDSACASA-N 2 0 265.313 -0.045 20 0 CBADRP C[C@@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)c1ccno1 ZINC001221397426 825181427 /nfs/dbraw/zinc/18/14/27/825181427.db2.gz OAIROZLYFPVQBD-KOLCDFICSA-N 2 0 281.360 -0.398 20 0 CBADRP C[C@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)c1ccno1 ZINC001221397425 825181547 /nfs/dbraw/zinc/18/15/47/825181547.db2.gz OAIROZLYFPVQBD-GXSJLCMTSA-N 2 0 281.360 -0.398 20 0 CBADRP C[NH+]1CCC(CO)(NC(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC001221402355 825182247 /nfs/dbraw/zinc/18/22/47/825182247.db2.gz DXONVKGRFUCCAT-GFCCVEGCSA-N 2 0 255.362 -0.299 20 0 CBADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1C[NH2+]CCN1 ZINC001221398451 825182373 /nfs/dbraw/zinc/18/23/73/825182373.db2.gz ZUJXIVHCLGBSSV-UONOGXRCSA-N 2 0 274.368 -0.622 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC1(CO)CC[NH+](C)CC1 ZINC001221402286 825182488 /nfs/dbraw/zinc/18/24/88/825182488.db2.gz BWTCLDLZWPETNG-NWDGAFQWSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH+]1CCC(CO)(NC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC001221402395 825182781 /nfs/dbraw/zinc/18/27/81/825182781.db2.gz GBCMYJSNKDYMBG-GFCCVEGCSA-N 2 0 269.389 -0.051 20 0 CBADRP C[C@@]1(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCCOC1 ZINC001221403110 825183319 /nfs/dbraw/zinc/18/33/19/825183319.db2.gz QGKHNAUFLCQPAT-WCQYABFASA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001221407777 825183668 /nfs/dbraw/zinc/18/36/68/825183668.db2.gz DTVFQAVYPIIUJA-GUTXKFCHSA-N 2 0 279.384 -0.273 20 0 CBADRP C[C@@]1(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCCOC1 ZINC001221403794 825184503 /nfs/dbraw/zinc/18/45/03/825184503.db2.gz XNZURPFAHZFXKY-ZYHUDNBSSA-N 2 0 253.346 -0.519 20 0 CBADRP N[C@]1(C(=O)N[C@H](C2CCC2)C2C[NH2+]C2)CC[NH2+]C1 ZINC001221409864 825185632 /nfs/dbraw/zinc/18/56/32/825185632.db2.gz PGIKRWFUYQKMJO-DGCLKSJQSA-N 2 0 252.362 -0.819 20 0 CBADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001221410207 825185643 /nfs/dbraw/zinc/18/56/43/825185643.db2.gz QFZDSWXFGNVBTK-UMVBOHGHSA-N 2 0 278.400 -0.558 20 0 CBADRP [NH3+][C@H](C(=O)N[C@H](C1CCC1)C1C[NH2+]C1)C1CC[NH2+]CC1 ZINC001221408050 825185873 /nfs/dbraw/zinc/18/58/73/825185873.db2.gz GGUISMSEAYAHAC-UONOGXRCSA-N 3 0 280.416 -0.182 20 0 CBADRP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@@H]1C[NH2+]CCN1 ZINC001221408286 825185903 /nfs/dbraw/zinc/18/59/03/825185903.db2.gz HYSBKYRGOUMKKJ-RYUDHWBXSA-N 2 0 252.362 -0.948 20 0 CBADRP N[C@@]1(C(=O)N[C@H](C2CCC2)C2C[NH2+]C2)CC[NH2+]C1 ZINC001221409866 825185993 /nfs/dbraw/zinc/18/59/93/825185993.db2.gz PGIKRWFUYQKMJO-YPMHNXCESA-N 2 0 252.362 -0.819 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2N)[C@H](C)C1 ZINC001221409529 825186150 /nfs/dbraw/zinc/18/61/50/825186150.db2.gz OSQYEBRINRIXBZ-VOAKCMCISA-N 2 0 268.405 -0.232 20 0 CBADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@H]1[NH2+]CC[C@H]1O ZINC001221412525 825187079 /nfs/dbraw/zinc/18/70/79/825187079.db2.gz DNIWPLSROABHLV-UTUOFQBUSA-N 2 0 253.346 -0.787 20 0 CBADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@H]1C[NH2+]C[C@H]1O ZINC001221411709 825187675 /nfs/dbraw/zinc/18/76/75/825187675.db2.gz XOYRHIQTSUPMHF-QJPTWQEYSA-N 2 0 253.346 -0.929 20 0 CBADRP CC[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791233 825194759 /nfs/dbraw/zinc/19/47/59/825194759.db2.gz CAEULVABHQXKSQ-FRRDWIJNSA-N 2 0 296.415 -0.265 20 0 CBADRP C([C@@H]1CNCCO1)[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222086234 825199787 /nfs/dbraw/zinc/19/97/87/825199787.db2.gz UMQKREDDIRQJPT-LBPRGKRZSA-N 2 0 254.378 -0.998 20 0 CBADRP O=C1CC[C@@H](C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)N1 ZINC001222085934 825199880 /nfs/dbraw/zinc/19/98/80/825199880.db2.gz PNQAKMRHIMLHND-NSHDSACASA-N 2 0 252.362 -0.708 20 0 CBADRP Nc1ncc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cn1 ZINC001222091307 825200978 /nfs/dbraw/zinc/20/09/78/825200978.db2.gz PVXBHSPVERGRRM-UHFFFAOYSA-N 2 0 262.361 -0.414 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCN1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001222414838 825210916 /nfs/dbraw/zinc/21/09/16/825210916.db2.gz ORVSVMXTWBJEEF-WDEREUQCSA-N 2 0 271.361 -0.452 20 0 CBADRP CNC(=O)C[NH+]1CCC(CNC(=O)CCC[NH+](C)C)CC1 ZINC001224253230 825235005 /nfs/dbraw/zinc/23/50/05/825235005.db2.gz IRGTWXMNKAEFJP-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[NH+](CC)CC(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001224911089 825250395 /nfs/dbraw/zinc/25/03/95/825250395.db2.gz ISFDGZDHXVICSJ-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP CNC(=O)C[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001225435229 825256510 /nfs/dbraw/zinc/25/65/10/825256510.db2.gz HLXOWZZZDSXPMH-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001225577839 825259453 /nfs/dbraw/zinc/25/94/53/825259453.db2.gz LDQYTVCLMRFLRL-UHFFFAOYSA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH+]1CCC(OCC(=O)NC2CC[NH+](CCO)CC2)CC1 ZINC001229807712 825337478 /nfs/dbraw/zinc/33/74/78/825337478.db2.gz WSJGQYGZDSECPQ-UHFFFAOYSA-N 2 0 299.415 -0.330 20 0 CBADRP Cn1cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c(=O)n(C)c1=O ZINC001231774340 825416969 /nfs/dbraw/zinc/41/69/69/825416969.db2.gz RJZTYJYKRYAKLP-UHFFFAOYSA-N 2 0 292.383 -0.388 20 0 CBADRP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)nc1)C[C@H](O)CO ZINC001232366259 825419468 /nfs/dbraw/zinc/41/94/68/825419468.db2.gz YEZWOSNBCJLIPY-AWEZNQCLSA-N 2 0 294.399 -0.382 20 0 CBADRP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)nc1)C[C@@H](O)CO ZINC001232366260 825419664 /nfs/dbraw/zinc/41/96/64/825419664.db2.gz YEZWOSNBCJLIPY-CQSZACIVSA-N 2 0 294.399 -0.382 20 0 CBADRP FC1(CN2CCN[C@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001235054374 825484840 /nfs/dbraw/zinc/48/48/40/825484840.db2.gz WVWRQZOFZGHZPE-ZDUSSCGKSA-N 2 0 256.369 -0.285 20 0 CBADRP C(CN1CCN[C@]2(CC[NH2+]C2)C1)[C@@H]1C[NH2+]CCO1 ZINC001235054199 825485356 /nfs/dbraw/zinc/48/53/56/825485356.db2.gz VEGOULSFCXMUOO-OLZOCXBDSA-N 2 0 254.378 -0.998 20 0 CBADRP C[C@H]([NH3+])CN1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235206568 825489734 /nfs/dbraw/zinc/48/97/34/825489734.db2.gz UQEBAFGFHCQJNV-LBPRGKRZSA-N 2 0 281.404 -0.193 20 0 CBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(CC[NH3+])C2 ZINC001235268355 825490885 /nfs/dbraw/zinc/49/08/85/825490885.db2.gz AUFLGXDYMYWIKG-QWRGUYRKSA-N 2 0 295.305 -0.038 20 0 CBADRP CN(C[C@H]1CCN1CCO)C(=O)C[N@H+](C)C1CCC1 ZINC001235390624 825494106 /nfs/dbraw/zinc/49/41/06/825494106.db2.gz ANWQHZIGLPHSTR-CYBMUJFWSA-N 2 0 269.389 -0.004 20 0 CBADRP CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](CCCC[NH3+])C2 ZINC001235517773 825499432 /nfs/dbraw/zinc/49/94/32/825499432.db2.gz GUJNATISOUKMLE-DGCLKSJQSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]CCN1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001235516488 825499603 /nfs/dbraw/zinc/49/96/03/825499603.db2.gz JKZHEGWLQYFQFO-NWDGAFQWSA-N 2 0 263.345 -0.427 20 0 CBADRP C[C@@H]([NH3+])CN1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001235546776 825502460 /nfs/dbraw/zinc/50/24/60/825502460.db2.gz MKRJRXMMOUSMNB-MGPQQGTHSA-N 2 0 298.431 -0.556 20 0 CBADRP Cc1nccnc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869754 825514918 /nfs/dbraw/zinc/51/49/18/825514918.db2.gz IJBAGCUQDJGXGA-UHFFFAOYSA-N 2 0 278.404 -0.631 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235825442 825514932 /nfs/dbraw/zinc/51/49/32/825514932.db2.gz NNFKPFZYUNSILH-JTQLQIEISA-N 2 0 259.350 -0.465 20 0 CBADRP CSCCCN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235864923 825515212 /nfs/dbraw/zinc/51/52/12/825515212.db2.gz KVNMISFRSDHANS-UHFFFAOYSA-N 2 0 260.451 -0.176 20 0 CBADRP C(CN1CC[NH2+]CCNCC[NH2+]CC1)C[NH+]1CCCCC1 ZINC001235868149 825515317 /nfs/dbraw/zinc/51/53/17/825515317.db2.gz BBMJFTBUVKEZIN-UHFFFAOYSA-N 3 0 297.491 -0.053 20 0 CBADRP CCOC(=O)CN(CC[NH3+])CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235825438 825515564 /nfs/dbraw/zinc/51/55/64/825515564.db2.gz NKHAWNNAMCUIOS-NSHDSACASA-N 2 0 273.377 -0.075 20 0 CBADRP Oc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)nc1 ZINC001235868987 825515630 /nfs/dbraw/zinc/51/56/30/825515630.db2.gz DMMMZJNUBCDZJW-UHFFFAOYSA-N 2 0 279.388 -0.628 20 0 CBADRP COC(=O)C[C@H]1C[NH2+]CCN1C[C@H]1CCCC[NH2+]1 ZINC001235847335 825515657 /nfs/dbraw/zinc/51/56/57/825515657.db2.gz UCIWYUFFNNSCOO-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]Cc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001235869044 825515717 /nfs/dbraw/zinc/51/57/17/825515717.db2.gz FPQNVITVUUVPFI-UHFFFAOYSA-N 3 0 291.443 -0.270 20 0 CBADRP CCC1(CN2CC[NH2+]CCNCC[NH2+]CC2)COC1 ZINC001235864078 825515930 /nfs/dbraw/zinc/51/59/30/825515930.db2.gz BSYGYWVNKHWLRZ-UHFFFAOYSA-N 2 0 270.421 -0.503 20 0 CBADRP OCCCCCN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870077 825516287 /nfs/dbraw/zinc/51/62/87/825516287.db2.gz NHYNRDXCJMDJFK-UHFFFAOYSA-N 2 0 258.410 -0.767 20 0 CBADRP COc1ncccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870906 825516316 /nfs/dbraw/zinc/51/63/16/825516316.db2.gz PXMAVWMMRYLPOZ-UHFFFAOYSA-N 2 0 293.415 -0.325 20 0 CBADRP C([C@H]1CCCC[NH2+]1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871808 825516965 /nfs/dbraw/zinc/51/69/65/825516965.db2.gz XRHRRZQDVVIQFV-CQSZACIVSA-N 3 0 269.437 -0.787 20 0 CBADRP CC1(C)OC[C@H](CN2CC[NH2+]CCNCC[NH2+]CC2)O1 ZINC001235871903 825516738 /nfs/dbraw/zinc/51/67/38/825516738.db2.gz YEKMDCKEMRDTAY-ZDUSSCGKSA-N 2 0 286.420 -0.778 20 0 CBADRP COc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)nc1 ZINC001235870472 825516881 /nfs/dbraw/zinc/51/68/81/825516881.db2.gz NIIVFUUCLSRDCK-UHFFFAOYSA-N 2 0 293.415 -0.325 20 0 CBADRP Nc1nc(CN2CC[NH2+]CCNCC[NH2+]CC2)cs1 ZINC001235871384 825516947 /nfs/dbraw/zinc/51/69/47/825516947.db2.gz STNLTNHTWFGVKR-UHFFFAOYSA-N 2 0 284.433 -0.690 20 0 CBADRP Cc1cnccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871812 825516957 /nfs/dbraw/zinc/51/69/57/825516957.db2.gz XWYCYRZPRJCFBO-UHFFFAOYSA-N 2 0 277.416 -0.026 20 0 CBADRP C[NH+](C)CCN1CC[N@H+](CCCC[NH3+])CCC1=O ZINC001235962911 825518217 /nfs/dbraw/zinc/51/82/17/825518217.db2.gz QNCJUFWVXXIPNM-UHFFFAOYSA-N 3 0 256.394 -0.179 20 0 CBADRP CN(CCN1CC[NH+](C)CC1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235949342 825518636 /nfs/dbraw/zinc/51/86/36/825518636.db2.gz FKRDIEIKNLYMDI-ZDUSSCGKSA-N 2 0 270.421 -0.110 20 0 CBADRP COc1ccoc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235874467 825518790 /nfs/dbraw/zinc/51/87/90/825518790.db2.gz QBJDRFGNUSEMBG-UHFFFAOYSA-N 2 0 282.388 -0.127 20 0 CBADRP Cc1cc(C)nc(CN2CC[NH2+]CCNCC[NH2+]CC2)n1 ZINC001235873236 825518804 /nfs/dbraw/zinc/51/88/04/825518804.db2.gz BIDQGMQWEUZKAV-UHFFFAOYSA-N 2 0 292.431 -0.322 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CC[C@H]3COC[C@@H](C2)[NH2+]3)O1 ZINC001235990651 825519111 /nfs/dbraw/zinc/51/91/11/825519111.db2.gz HGHGLDHQEXCIGO-TUAOUCFPSA-N 2 0 255.362 -0.226 20 0 CBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C2 ZINC001236023525 825519797 /nfs/dbraw/zinc/51/97/97/825519797.db2.gz PBWTWAVNHRKROJ-ZAZJYDDPSA-N 2 0 295.383 -0.595 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236044131 825521891 /nfs/dbraw/zinc/52/18/91/825521891.db2.gz JWTDEQRBZYAERZ-NEPJUHHUSA-N 2 0 257.378 -0.027 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CCC[C@H](N3CC([NH3+])C3)C2)O1 ZINC001236073420 825522316 /nfs/dbraw/zinc/52/23/16/825522316.db2.gz MYLASWTUYBOVKF-STQMWFEESA-N 2 0 268.405 -0.182 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1c[nH+]ccc1N ZINC001236196131 825523308 /nfs/dbraw/zinc/52/33/08/825523308.db2.gz JDSDZVCHINIECA-ONGXEEELSA-N 2 0 250.302 -0.431 20 0 CBADRP [NH3+]CCCCCN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310222 825527065 /nfs/dbraw/zinc/52/70/65/825527065.db2.gz VSLDDHOSDCODGK-UHFFFAOYSA-N 3 0 273.425 -0.769 20 0 CBADRP CC1(CN(CCC[NH3+])CC(=O)NCCC[NH3+])CC[NH2+]CC1 ZINC001236307641 825527172 /nfs/dbraw/zinc/52/71/72/825527172.db2.gz CVKGXNIAMPUDFG-UHFFFAOYSA-N 3 0 299.463 -0.508 20 0 CBADRP Nc1ccccc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310878 825527382 /nfs/dbraw/zinc/52/73/82/825527382.db2.gz CYMDTJPRJXPPFD-UHFFFAOYSA-N 2 0 293.415 -0.115 20 0 CBADRP COC(=O)[C@@H]1CN(C[C@H]([NH3+])Cc2ccccc2)C[C@H]1[NH3+] ZINC001236345853 825528026 /nfs/dbraw/zinc/52/80/26/825528026.db2.gz VMIMQSBQOQRBPF-MGPQQGTHSA-N 2 0 277.368 -0.012 20 0 CBADRP COC(=O)[C@@H]1CN(C[C@H]2CCC[N@H+](C)C2)C[C@H]1[NH3+] ZINC001236345824 825528055 /nfs/dbraw/zinc/52/80/55/825528055.db2.gz VBQYUYONAQIRTB-QJPTWQEYSA-N 2 0 255.362 -0.240 20 0 CBADRP COC(=O)[C@H]1CN(CC[C@H]2COC(C)(C)[NH2+]2)C[C@H]1[NH3+] ZINC001236345816 825528121 /nfs/dbraw/zinc/52/81/21/825528121.db2.gz VARJVAQHQWXNAC-GARJFASQSA-N 2 0 271.361 -0.467 20 0 CBADRP COC(=O)[C@@H]1CN(C[C@H]2CCC[N@H+](C)C2)C[C@@H]1[NH3+] ZINC001236345825 825528528 /nfs/dbraw/zinc/52/85/28/825528528.db2.gz VBQYUYONAQIRTB-TUAOUCFPSA-N 2 0 255.362 -0.240 20 0 CBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C[C@@H]1C[NH2+]C(C)(C)O1)CC2 ZINC001237066821 825533336 /nfs/dbraw/zinc/53/33/36/825533336.db2.gz YYJROCQVBCCHCY-SLEUVZQESA-N 2 0 297.399 -0.062 20 0 CBADRP C[NH+](C)CCN(CC[C@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]C1 ZINC001236924697 825534031 /nfs/dbraw/zinc/53/40/31/825534031.db2.gz SERLAVXMEJIWBI-CABCVRRESA-N 3 0 284.448 -0.020 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC001237479306 825535296 /nfs/dbraw/zinc/53/52/96/825535296.db2.gz JHOGOFFYVBVQGG-UHFFFAOYSA-N 2 0 285.373 -0.808 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC001237476196 825535558 /nfs/dbraw/zinc/53/55/58/825535558.db2.gz NACFTCUHTFDQFL-UHFFFAOYSA-N 2 0 256.331 -0.572 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1ccc(N2CC[C@@H]([NH3+])C2)nc1 ZINC001237552715 825536653 /nfs/dbraw/zinc/53/66/53/825536653.db2.gz JEZFXSDZXCOKGB-SECBINFHSA-N 2 0 285.373 -0.681 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001238017712 825543608 /nfs/dbraw/zinc/54/36/08/825543608.db2.gz KTERVFGTQPYXMR-KWQFWETISA-N 2 0 283.353 -0.165 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C[C@H]1F ZINC001238049047 825545026 /nfs/dbraw/zinc/54/50/26/825545026.db2.gz CUTHIISXLOTRJT-GHMZBOCLSA-N 2 0 279.381 -0.395 20 0 CBADRP O=S(=O)(N[C@H]1CC[NH2+]C[C@@H]1F)C1CC[NH2+]CC1 ZINC001238052750 825546021 /nfs/dbraw/zinc/54/60/21/825546021.db2.gz MNJWVJSSNUFTCD-UWVGGRQHSA-N 2 0 265.354 -0.642 20 0 CBADRP O=S(=O)(N[C@H]1CCCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001238094323 825546872 /nfs/dbraw/zinc/54/68/72/825546872.db2.gz GQFLQYRRVLKAJZ-JTQLQIEISA-N 2 0 261.391 -0.200 20 0 CBADRP C[C@@H]1CC[C@H](CNS(=O)(=O)[C@H]2CC[NH2+]C2)[NH2+]C1 ZINC001238141943 825547157 /nfs/dbraw/zinc/54/71/57/825547157.db2.gz KOXZLCDHBMVLFQ-MXWKQRLJSA-N 2 0 261.391 -0.344 20 0 CBADRP O=S(=O)(NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C1CC1 ZINC001238242736 825550388 /nfs/dbraw/zinc/55/03/88/825550388.db2.gz QGPJPBGVUSFZLO-SNVBAGLBSA-N 2 0 273.402 -0.058 20 0 CBADRP [NH3+]CCS(=O)(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001238485095 825554661 /nfs/dbraw/zinc/55/46/61/825554661.db2.gz KPTGMIHXXZVCCS-MNOVXSKESA-N 2 0 261.391 -0.213 20 0 CBADRP [NH3+]CCS(=O)(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001238485097 825554746 /nfs/dbraw/zinc/55/47/46/825554746.db2.gz KPTGMIHXXZVCCS-WDEREUQCSA-N 2 0 261.391 -0.213 20 0 CBADRP O=S(=O)(NC[C@H]1Cc2ccccc2C[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC001238597121 825556563 /nfs/dbraw/zinc/55/65/63/825556563.db2.gz RBCWTRANDAVWAH-ZIAGYGMSSA-N 2 0 295.408 -0.018 20 0 CBADRP CC(C)C[NH+]1CCC(NS(=O)(=O)CC[NH3+])CC1 ZINC001238669102 825561921 /nfs/dbraw/zinc/56/19/21/825561921.db2.gz ZLLNHPLWBWRCRR-UHFFFAOYSA-N 2 0 263.407 -0.015 20 0 CBADRP [NH3+]CCS(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001238759903 825563134 /nfs/dbraw/zinc/56/31/34/825563134.db2.gz DNGBSUKHPUEXOT-RQJHMYQMSA-N 2 0 275.296 -0.595 20 0 CBADRP COCCC1(CNS(=O)(=O)CC[NH3+])CC[NH2+]CC1 ZINC001238813264 825564420 /nfs/dbraw/zinc/56/44/20/825564420.db2.gz CKIAVXQHWNZEPM-UHFFFAOYSA-N 2 0 279.406 -0.729 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001238885444 825568528 /nfs/dbraw/zinc/56/85/28/825568528.db2.gz MSDAZFHTBUWDAU-LLVKDONJSA-N 2 0 261.391 -0.213 20 0 CBADRP O=S(=O)(NC[C@@H]1CC[NH2+]C[C@@H]1F)[C@@H]1CC[NH2+]C1 ZINC001238896261 825569935 /nfs/dbraw/zinc/56/99/35/825569935.db2.gz VXPQNLRGWOGWAO-AEJSXWLSSA-N 2 0 265.354 -0.785 20 0 CBADRP [NH3+]C12CC(NS(=O)(=O)CC3CC[NH2+]CC3)(C1)C2 ZINC001238904977 825571544 /nfs/dbraw/zinc/57/15/44/825571544.db2.gz YLKFLDIMFKWQBA-UHFFFAOYSA-N 2 0 259.375 -0.461 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001238919900 825572453 /nfs/dbraw/zinc/57/24/53/825572453.db2.gz XCEVXNLLIJKQQE-UHFFFAOYSA-N 2 0 261.391 -0.260 20 0 CBADRP [NH3+]CC1CCN(S(=O)(=O)C2CC[NH2+]CC2)CC1 ZINC001238928641 825572524 /nfs/dbraw/zinc/57/25/24/825572524.db2.gz HDCUVTYHHFXMQO-UHFFFAOYSA-N 2 0 261.391 -0.261 20 0 CBADRP [NH3+]CC[C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CCO1 ZINC001238922715 825573160 /nfs/dbraw/zinc/57/31/60/825573160.db2.gz SNRTXZMSQSXZAG-LBPRGKRZSA-N 2 0 291.417 -0.635 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC001238943718 825576106 /nfs/dbraw/zinc/57/61/06/825576106.db2.gz FYJRAFDGAWMLMT-MNOVXSKESA-N 2 0 279.381 -0.169 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001238999737 825582149 /nfs/dbraw/zinc/58/21/49/825582149.db2.gz JPYPBKNGXNXWMW-NSHDSACASA-N 2 0 261.391 -0.260 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCC[C@]12CCC[NH2+]CC2 ZINC001239004225 825582635 /nfs/dbraw/zinc/58/26/35/825582635.db2.gz WVSHRTUWPONJIH-NSHDSACASA-N 2 0 261.391 -0.117 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001239028308 825583289 /nfs/dbraw/zinc/58/32/89/825583289.db2.gz ZIJBCJIGZGBHNE-NWDGAFQWSA-N 2 0 273.402 -0.391 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001239023740 825583379 /nfs/dbraw/zinc/58/33/79/825583379.db2.gz UEPVAMHPYMRNSX-RYUDHWBXSA-N 2 0 273.402 -0.248 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001239059122 825584123 /nfs/dbraw/zinc/58/41/23/825584123.db2.gz UINPKDOFSBWBOF-VXGBXAGGSA-N 2 0 273.402 -0.248 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@@]2(CC[NH2+]2)C1 ZINC001239034370 825584340 /nfs/dbraw/zinc/58/43/40/825584340.db2.gz WQUKJHDQZDVXQI-LBPRGKRZSA-N 2 0 273.402 -0.246 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001239073431 825585599 /nfs/dbraw/zinc/58/55/99/825585599.db2.gz MZQLCLQMRSACHL-ZJUUUORDSA-N 2 0 265.354 -0.702 20 0 CBADRP CN(C[C@@H]1CC[NH2+]C1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239091242 825586360 /nfs/dbraw/zinc/58/63/60/825586360.db2.gz HHFMWUDPVSEBJL-GFCCVEGCSA-N 2 0 275.418 -0.143 20 0 CBADRP COCCCN([C@H]1CCC[NH2+]C1)S(=O)(=O)CC[NH3+] ZINC001239091141 825586742 /nfs/dbraw/zinc/58/67/42/825586742.db2.gz NWCKBKQWGQEEFY-NSHDSACASA-N 2 0 279.406 -0.635 20 0 CBADRP [NH3+]CCS(=O)(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001239105241 825587449 /nfs/dbraw/zinc/58/74/49/825587449.db2.gz CXFOCWSREIYHEQ-KGLIPLIRSA-N 2 0 295.408 -0.252 20 0 CBADRP [NH3+][C@]12CC[C@@H]1CN(S(=O)(=O)CC1CC[NH2+]CC1)C2 ZINC001239108553 825588559 /nfs/dbraw/zinc/58/85/59/825588559.db2.gz VSGLXAGAQDOFMY-NEPJUHHUSA-N 2 0 273.402 -0.261 20 0 CBADRP CN(CCCC[NH3+])S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239118836 825589622 /nfs/dbraw/zinc/58/96/22/825589622.db2.gz ZIOCLUSBAXYNHY-UHFFFAOYSA-N 2 0 263.407 -0.014 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](C)N1S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239114280 825589780 /nfs/dbraw/zinc/58/97/80/825589780.db2.gz CUVHQGGOOYIBHR-GHMZBOCLSA-N 2 0 275.418 -0.002 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001239136799 825593718 /nfs/dbraw/zinc/59/37/18/825593718.db2.gz MRFCYQJXNJRCRZ-NKWVEPMBSA-N 2 0 275.296 -0.514 20 0 CBADRP CC(C)CN([C@@H]1CCC[NH2+]C1)S(=O)(=O)CC[NH3+] ZINC001239148333 825594842 /nfs/dbraw/zinc/59/48/42/825594842.db2.gz DBSJVMWRVZXUTK-LLVKDONJSA-N 2 0 263.407 -0.015 20 0 CBADRP C[NH+](C)CCNC(=S)N1CCCC[C@@](O)(C[NH3+])C1 ZINC001239405763 825602346 /nfs/dbraw/zinc/60/23/46/825602346.db2.gz FDUINMKBILZCDJ-GFCCVEGCSA-N 2 0 274.434 -0.402 20 0 CBADRP C[NH+](C)CCNC(=S)N1CCNC[C@]12CC[NH2+]C2 ZINC001239424610 825603888 /nfs/dbraw/zinc/60/38/88/825603888.db2.gz VVMKMGHXEQPOMS-GFCCVEGCSA-N 2 0 271.434 -0.940 20 0 CBADRP c1nn(C2C[NH2+]C2)cc1-c1ccc(N2CC[NH2+]CC2)nn1 ZINC001241588751 825607827 /nfs/dbraw/zinc/60/78/27/825607827.db2.gz ARTMWKBJZIWQNY-UHFFFAOYSA-N 2 0 285.355 -0.106 20 0 CBADRP c1nc(-c2cnc(N3CC[NH2+]CC3)nc2)nc2c1C[NH2+]C2 ZINC001241895020 825609018 /nfs/dbraw/zinc/60/90/18/825609018.db2.gz MJTPZRFIDKYXKA-UHFFFAOYSA-N 2 0 283.339 -0.054 20 0 CBADRP O[C@H](CNC[C@H]1CCC[NH2+]1)CC1(O)CC[NH2+]CC1 ZINC001245982270 825616161 /nfs/dbraw/zinc/61/61/61/825616161.db2.gz OAQPSOFAMHJYSM-NEPJUHHUSA-N 2 0 257.378 -0.807 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245982142 825616188 /nfs/dbraw/zinc/61/61/88/825616188.db2.gz KFLQAFJUIUUZRL-MGPQQGTHSA-N 3 0 285.432 -0.313 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245982143 825616590 /nfs/dbraw/zinc/61/65/90/825616590.db2.gz KFLQAFJUIUUZRL-RDBSUJKOSA-N 3 0 285.432 -0.313 20 0 CBADRP CC(C)(C)OC[C@@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001245977951 825616782 /nfs/dbraw/zinc/61/67/82/825616782.db2.gz YKTGWTLOXLBXKC-GMXVVIOVSA-N 2 0 278.368 -0.186 20 0 CBADRP O[C@H](CN[C@@H]1CC[NH2+]C[C@H]1F)CC1(O)CC[NH2+]CC1 ZINC001245973968 825616898 /nfs/dbraw/zinc/61/68/98/825616898.db2.gz LUEBLPSZMYWXAK-QJPTWQEYSA-N 2 0 275.368 -0.859 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CNC1CN(C2CC[NH2+]CC2)C1 ZINC001245987145 825617403 /nfs/dbraw/zinc/61/74/03/825617403.db2.gz CGHYGTWAEJEJCW-HNNXBMFYSA-N 2 0 284.448 -0.285 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245983181 825617667 /nfs/dbraw/zinc/61/76/67/825617667.db2.gz NKPNVTXAPACIDG-BFHYXJOUSA-N 3 0 285.432 -0.170 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245987393 825617908 /nfs/dbraw/zinc/61/79/08/825617908.db2.gz RUIKOGCVQFSLHB-RYUDHWBXSA-N 2 0 257.378 -0.543 20 0 CBADRP O[C@H](CN[C@@H]1CCCC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245986951 825618054 /nfs/dbraw/zinc/61/80/54/825618054.db2.gz AHMFHMCMFRCNAN-OLZOCXBDSA-N 2 0 271.405 -0.416 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1C[NH2+]C[C@H]1CO ZINC001245997516 825619282 /nfs/dbraw/zinc/61/92/82/825619282.db2.gz UNKXOQXSAILGOH-ZQDZILKHSA-N 2 0 279.384 -0.913 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN[C@@H]1C[NH2+]C[C@H]1CO ZINC001245997509 825619301 /nfs/dbraw/zinc/61/93/01/825619301.db2.gz UNKXOQXSAILGOH-BYNSBNAKSA-N 2 0 279.384 -0.913 20 0 CBADRP C[C@]1([NH3+])CCN(C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246014519 825620688 /nfs/dbraw/zinc/62/06/88/825620688.db2.gz OSRWTYKZCNLDFT-NEPJUHHUSA-N 2 0 257.378 -0.725 20 0 CBADRP CCOC(=O)C1=C(NC[C@H](O)C[NH+](CC)CC)C[NH2+]C1 ZINC001246011327 825620982 /nfs/dbraw/zinc/62/09/82/825620982.db2.gz RCWNQKPAEJSFHJ-NSHDSACASA-N 2 0 285.388 -0.301 20 0 CBADRP [NH3+]CCCC[NH2+]CCCNC[C@]1(O)CCC[NH2+]C1 ZINC001246011155 825621466 /nfs/dbraw/zinc/62/14/66/825621466.db2.gz SHXAOXVICGTPFT-ZDUSSCGKSA-N 3 0 258.410 -0.591 20 0 CBADRP [NH3+][C@H]1CCC[N@H+](C[C@H](O)CN2CCOCC2)CC1 ZINC001246018971 825621995 /nfs/dbraw/zinc/62/19/95/825621995.db2.gz ZYFZUFLXSRCNFP-STQMWFEESA-N 2 0 257.378 -0.507 20 0 CBADRP CCOC(=O)C[C@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246019583 825623172 /nfs/dbraw/zinc/62/31/72/825623172.db2.gz LEMXIGZKXALWRD-QWRGUYRKSA-N 2 0 289.376 -0.866 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001246017563 825623229 /nfs/dbraw/zinc/62/32/29/825623229.db2.gz BOUACULVRQEXNR-STQMWFEESA-N 2 0 287.404 -0.297 20 0 CBADRP C[C@@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CCC[C@H]1C[NH3+] ZINC001246024187 825624106 /nfs/dbraw/zinc/62/41/06/825624106.db2.gz QVSOKAQNDXXIAA-QLFBSQMISA-N 2 0 285.432 -0.014 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN1CCCC[C@@](O)(C[NH3+])C1 ZINC001246024882 825624627 /nfs/dbraw/zinc/62/46/27/825624627.db2.gz RLFQXWSTWKHUIU-UONOGXRCSA-N 2 0 273.421 -0.135 20 0 CBADRP C[C@@H]1[C@H]([NH3+])CCN1C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246025671 825626152 /nfs/dbraw/zinc/62/61/52/825626152.db2.gz ZHQWYKUVDDXTPG-GRYCIOLGSA-N 2 0 257.378 -0.727 20 0 CBADRP [NH3+][C@@H]1CC[N@H+](C[C@H](O)CN2CCOCC2)CC[C@H]1F ZINC001246025568 825626175 /nfs/dbraw/zinc/62/61/75/825626175.db2.gz CIVPYHWSCLPGHP-YNEHKIRRSA-N 2 0 275.368 -0.559 20 0 CBADRP N[C@@H]1CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)CCC1(F)F ZINC001246031070 825627130 /nfs/dbraw/zinc/62/71/30/825627130.db2.gz HMAQDZRSCWVCHV-WDEREUQCSA-N 2 0 293.358 -0.480 20 0 CBADRP [NH3+]C[C@H]1CCCC[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246032108 825627590 /nfs/dbraw/zinc/62/75/90/825627590.db2.gz JAGXBSJJFLEVTD-ZIAGYGMSSA-N 2 0 285.432 -0.087 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246047322 825628683 /nfs/dbraw/zinc/62/86/83/825628683.db2.gz RYYNABZGSRYPQT-LXTVHRRPSA-N 2 0 261.369 -0.050 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN1CC[NH2+]C[C@H]1C(=O)OC ZINC001246047415 825629551 /nfs/dbraw/zinc/62/95/51/825629551.db2.gz DRXVSHRLZIZZCL-RYUDHWBXSA-N 2 0 273.377 -0.864 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN1C[C@H]([NH3+])C[C@H]1C(=O)OC ZINC001246064563 825631554 /nfs/dbraw/zinc/63/15/54/825631554.db2.gz NCWXNBHRKKQOOX-WOPDTQHZSA-N 2 0 273.377 -0.736 20 0 CBADRP O=C1CCCN1CCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246066336 825632484 /nfs/dbraw/zinc/63/24/84/825632484.db2.gz PKQMKFFZSWRBNP-LBPRGKRZSA-N 2 0 266.389 -0.318 20 0 CBADRP COC(=O)CC[C@H](C)[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001246084976 825633474 /nfs/dbraw/zinc/63/34/74/825633474.db2.gz VBFDLSWRLCWDHS-JBLDHEPKSA-N 2 0 262.325 -0.020 20 0 CBADRP O[C@@H](C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1ccco1 ZINC001246084355 825633580 /nfs/dbraw/zinc/63/35/80/825633580.db2.gz YQSDRGURFQGKRP-MNOVXSKESA-N 2 0 251.330 -0.003 20 0 CBADRP O=C([C@@H]1C[C@@H](NC2CC[NH2+]CC2)C[NH2+]1)N1CCSC1 ZINC001246077985 825633653 /nfs/dbraw/zinc/63/36/53/825633653.db2.gz LTFFFNPCTKTIQS-NEPJUHHUSA-N 2 0 284.429 -0.409 20 0 CBADRP O=C1C[C@@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)CCN1C1CC1 ZINC001246085475 825634095 /nfs/dbraw/zinc/63/40/95/825634095.db2.gz WZAIRHASRJGOLG-VHRBIJSZSA-N 2 0 285.363 -0.208 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CN1 ZINC001246094522 825634437 /nfs/dbraw/zinc/63/44/37/825634437.db2.gz NBCKNYBSHRMWTO-UTUOFQBUSA-N 2 0 255.362 -0.131 20 0 CBADRP COC(=O)C1(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246096130 825634958 /nfs/dbraw/zinc/63/49/58/825634958.db2.gz IPCHQTVEGNIARC-LBPRGKRZSA-N 3 0 296.415 -0.787 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CCCC[NH2+]C2)CN1 ZINC001246095529 825635360 /nfs/dbraw/zinc/63/53/60/825635360.db2.gz ITXCBTQMYDQULH-SGMGOOAPSA-N 2 0 285.388 -0.626 20 0 CBADRP O[C@@]1(C[NH2+][C@@H]2CCC[C@@H](n3ncnn3)C2)CC[NH2+]C[C@@H]1F ZINC001246088028 825635368 /nfs/dbraw/zinc/63/53/68/825635368.db2.gz HPWYDNSWLXEJGK-FVCCEPFGSA-N 2 0 298.366 -0.191 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246097889 825635934 /nfs/dbraw/zinc/63/59/34/825635934.db2.gz IMLWFZSGYVOMIG-RWMBFGLXSA-N 3 0 252.406 -0.084 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)CN1 ZINC001246103274 825636717 /nfs/dbraw/zinc/63/67/17/825636717.db2.gz XCNCXVJJGKCWBE-KGLIPLIRSA-N 2 0 298.431 -0.493 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCCOC2CC[NH2+]CC2)CN1 ZINC001246113795 825636758 /nfs/dbraw/zinc/63/67/58/825636758.db2.gz KYSKEGDZNSTAEF-YPMHNXCESA-N 2 0 285.388 -0.362 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2COC3(C2)CC[NH2+]CC3)CN1 ZINC001246127156 825637634 /nfs/dbraw/zinc/63/76/34/825637634.db2.gz NLQDEIKKHKWYCF-AGIUHOORSA-N 2 0 297.399 -0.362 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C[C@H]2C)CN1 ZINC001246116435 825638209 /nfs/dbraw/zinc/63/82/09/825638209.db2.gz FHJOKHFVICOHFV-RHYQMDGZSA-N 2 0 255.362 -0.132 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246135371 825639219 /nfs/dbraw/zinc/63/92/19/825639219.db2.gz RXEAXZDGIKPRPT-HGCLJGPKSA-N 2 0 253.346 -0.665 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)O2)CN1 ZINC001246129406 825639396 /nfs/dbraw/zinc/63/93/96/825639396.db2.gz CRNGSJQDEIRVII-WOPDTQHZSA-N 2 0 283.372 -0.609 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246141047 825639922 /nfs/dbraw/zinc/63/99/22/825639922.db2.gz CGFKBMIGMFKNCZ-MOLYVOAJSA-N 2 0 267.373 -0.275 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@@]2(NC2CC[NH+](C3CC3)CC2)N1 ZINC001246142335 825640116 /nfs/dbraw/zinc/64/01/16/825640116.db2.gz FKAWYTINWASKDZ-TZMCWYRMSA-N 2 0 264.373 -0.219 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(N[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)N1 ZINC001246143299 825640424 /nfs/dbraw/zinc/64/04/24/825640424.db2.gz HTARJGTUELLFFA-FTEPDLOASA-N 2 0 250.346 -0.563 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@@]2(NC2CCC3(CC2)C[NH2+]CCO3)N1 ZINC001246140763 825640549 /nfs/dbraw/zinc/64/05/49/825640549.db2.gz BRUWKCSKSHYDEI-HTLISINNSA-N 2 0 294.399 -0.545 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(N[C@@H]2CC3CC[NH+](CC3)C2)N1 ZINC001246140751 825640621 /nfs/dbraw/zinc/64/06/21/825640621.db2.gz BOKWSWKWSXFWBF-DYEKYZERSA-N 2 0 264.373 -0.362 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)CN1 ZINC001246148974 825641023 /nfs/dbraw/zinc/64/10/23/825641023.db2.gz OWCGUFGUMRMYFT-XHJNMGKDSA-N 2 0 297.399 -0.506 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1CCO[C@]3(CC[NH2+]C3)C1)CCN2 ZINC001246146233 825641026 /nfs/dbraw/zinc/64/10/26/825641026.db2.gz FSFSCYPMMCVXSL-KCQAQPDRSA-N 3 0 280.416 -0.419 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@@H]1CO[C@]3(CC[NH2+]C3)C1)CCN2 ZINC001246148942 825641105 /nfs/dbraw/zinc/64/11/05/825641105.db2.gz BBVBNGCEFXPBDN-SGMGOOAPSA-N 3 0 266.389 -0.809 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CN1 ZINC001246149031 825641151 /nfs/dbraw/zinc/64/11/51/825641151.db2.gz PVAAMHFOWQVDMU-PPCPHDFISA-N 2 0 267.373 -0.132 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)CN1 ZINC001246145627 825641177 /nfs/dbraw/zinc/64/11/77/825641177.db2.gz PVAAMHFOWQVDMU-OFTGVCEQSA-N 2 0 267.373 -0.132 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246148481 825641358 /nfs/dbraw/zinc/64/13/58/825641358.db2.gz SOXSEEMVWFKYBM-ZIAGYGMSSA-N 3 0 293.459 -0.456 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@H]3[NH2+]CCO[C@H]32)CN1 ZINC001246147997 825641385 /nfs/dbraw/zinc/64/13/85/825641385.db2.gz DDVWONNLPSIULW-HPCHECBXSA-N 2 0 297.399 -0.363 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)CN1 ZINC001246147162 825641492 /nfs/dbraw/zinc/64/14/92/825641492.db2.gz JYGIKMFNQTXYCG-OSFYFWSMSA-N 2 0 297.399 -0.219 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CN1 ZINC001246146157 825641576 /nfs/dbraw/zinc/64/15/76/825641576.db2.gz ZAWDXUFGUWTEOV-NDKCEZKHSA-N 2 0 297.399 -0.506 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CN1 ZINC001246150585 825642438 /nfs/dbraw/zinc/64/24/38/825642438.db2.gz VTZFBFBEGPVSQY-LBELIVKGSA-N 2 0 267.373 -0.132 20 0 CBADRP CC[C@@H]1C[C@H](N[C@]23CC[NH2+][C@H]2CC(=O)N3)CC[NH2+]1 ZINC001246152044 825642485 /nfs/dbraw/zinc/64/24/85/825642485.db2.gz OBCGASFGNYRRQY-DCQANWLSSA-N 2 0 252.362 -0.315 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001246151055 825642508 /nfs/dbraw/zinc/64/25/08/825642508.db2.gz VMNQXPBFZFPNOB-XJFOESAGSA-N 3 0 280.416 -0.706 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(N[C@@H]2CSC3(C[NH2+]C3)C2)N1 ZINC001246152786 825642764 /nfs/dbraw/zinc/64/27/64/825642764.db2.gz QCLSLNHJJYHSPX-AUTRQRHGSA-N 2 0 268.386 -0.998 20 0 CBADRP CC(=O)N1C[C@@H]2C[C@]2([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246158555 825643093 /nfs/dbraw/zinc/64/30/93/825643093.db2.gz UAZZHJDHTULQJT-OBJOEFQTSA-N 2 0 264.373 -0.709 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)N1 ZINC001246155107 825643518 /nfs/dbraw/zinc/64/35/18/825643518.db2.gz XOUZTETUDQSUCO-XJBAAKRRSA-N 2 0 264.373 -0.173 20 0 CBADRP CC(=O)N1C[C@@H]2C[C@]2([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246158565 825643591 /nfs/dbraw/zinc/64/35/91/825643591.db2.gz UAZZHJDHTULQJT-SCRDCRAPSA-N 2 0 264.373 -0.709 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246170418 825644833 /nfs/dbraw/zinc/64/48/33/825644833.db2.gz GRKOIJBNPKBKAC-ZIQFBCGOSA-N 2 0 253.346 -0.523 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC3(C[NH2+]C3)C2)CN1 ZINC001246178406 825645970 /nfs/dbraw/zinc/64/59/70/825645970.db2.gz OJLJLSJXQITFMP-KOLCDFICSA-N 2 0 253.346 -0.378 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C2CC3(C[NH2+]C3)C2)CN1 ZINC001246178411 825646121 /nfs/dbraw/zinc/64/61/21/825646121.db2.gz OJLJLSJXQITFMP-ONGXEEELSA-N 2 0 253.346 -0.378 20 0 CBADRP CCN(CC)C(=O)[C@@H](C)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246182681 825646804 /nfs/dbraw/zinc/64/68/04/825646804.db2.gz SSVYLTBFICQUSP-NEPJUHHUSA-N 2 0 268.405 -0.073 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](C)CC2)CN1 ZINC001246182814 825647052 /nfs/dbraw/zinc/64/70/52/825647052.db2.gz AAEABULWUNIFQB-WOPDTQHZSA-N 2 0 255.362 -0.036 20 0 CBADRP CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246182684 825647367 /nfs/dbraw/zinc/64/73/67/825647367.db2.gz SSVYLTBFICQUSP-NWDGAFQWSA-N 2 0 268.405 -0.073 20 0 CBADRP NC(=O)C1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCCC1 ZINC001246186807 825648004 /nfs/dbraw/zinc/64/80/04/825648004.db2.gz KIOZQIXXSOCGJW-JTQLQIEISA-N 2 0 252.362 -0.532 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC23CC[NH2+]CC3)CN1 ZINC001246189990 825648050 /nfs/dbraw/zinc/64/80/50/825648050.db2.gz ZJSJYWFQCKEMSL-UTUOFQBUSA-N 2 0 267.373 -0.131 20 0 CBADRP NC(=O)[C@@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246194065 825648301 /nfs/dbraw/zinc/64/83/01/825648301.db2.gz WXMYVRJEDXXCBA-STQMWFEESA-N 2 0 274.368 -0.103 20 0 CBADRP CCOC(=O)[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246201395 825649333 /nfs/dbraw/zinc/64/93/33/825649333.db2.gz PFWVOVMJAJAZPQ-XQQFMLRXSA-N 2 0 296.415 -0.789 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])CC2)CN1 ZINC001246200374 825649352 /nfs/dbraw/zinc/64/93/52/825649352.db2.gz DTFSKUQQEMKCFM-USZNOCQGSA-N 2 0 255.362 -0.003 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1N[C@H]1CCC[NH2+]C1 ZINC001246197800 825649479 /nfs/dbraw/zinc/64/94/79/825649479.db2.gz AXKAQRUWPKWJGU-QJPTWQEYSA-N 2 0 255.362 -0.131 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1NC1CC[NH2+]CC1 ZINC001246198164 825649574 /nfs/dbraw/zinc/64/95/74/825649574.db2.gz DIMWYSBNZPMTAI-NEPJUHHUSA-N 2 0 255.362 -0.131 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)CCN1 ZINC001246200138 825649951 /nfs/dbraw/zinc/64/99/51/825649951.db2.gz OQFGBGDNBBUSAJ-SRVKXCTJSA-N 2 0 255.362 -0.131 20 0 CBADRP COC(=O)[C@@H]1CC[C@H](NC(=[NH2+])NCCCC[NH3+])CN1 ZINC001246212245 825650946 /nfs/dbraw/zinc/65/09/46/825650946.db2.gz UGOZQFXMQFQHGI-UWVGGRQHSA-N 2 0 271.365 -0.867 20 0 CBADRP COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246215352 825651610 /nfs/dbraw/zinc/65/16/10/825651610.db2.gz SPIYJIXRQHAVNE-AXFHLTTASA-N 2 0 285.392 -0.479 20 0 CBADRP O=C(NCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCOCC1 ZINC001246213158 825651673 /nfs/dbraw/zinc/65/16/73/825651673.db2.gz ZCSZJFBQJFXOLC-FUNVUKJBSA-N 2 0 282.388 -0.099 20 0 CBADRP O=S1(=O)CC[C@@H]([NH2+]C2CN(C3CC[NH2+]CC3)C2)C1 ZINC001246215434 825651766 /nfs/dbraw/zinc/65/17/66/825651766.db2.gz PDCRMJWWWHYHSX-SNVBAGLBSA-N 2 0 273.402 -0.801 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246220450 825652665 /nfs/dbraw/zinc/65/26/65/825652665.db2.gz JTHZFZXMBNTHAD-LDMBFOFVSA-N 2 0 253.346 -0.523 20 0 CBADRP F[C@@H]1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246220727 825653133 /nfs/dbraw/zinc/65/31/33/825653133.db2.gz HQMTWHACNWKQKU-QJPTWQEYSA-N 3 0 256.369 -0.382 20 0 CBADRP C1OCC1N1CC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246225125 825653141 /nfs/dbraw/zinc/65/31/41/825653141.db2.gz AWMVDSFYLDUBKK-NEPJUHHUSA-N 2 0 266.389 -0.857 20 0 CBADRP FC1(F)CNC[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246220561 825653476 /nfs/dbraw/zinc/65/34/76/825653476.db2.gz DPLSIQOKMVMICW-ZJUUUORDSA-N 2 0 260.332 -0.333 20 0 CBADRP C1OCC1N1CCC[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246220360 825653560 /nfs/dbraw/zinc/65/35/60/825653560.db2.gz CTUNYXFWLPDMNI-CHWSQXEVSA-N 2 0 280.416 -0.467 20 0 CBADRP CN1C[C@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246236925 825654097 /nfs/dbraw/zinc/65/40/97/825654097.db2.gz ZPNUWRCLKBNXDE-WDEREUQCSA-N 2 0 252.362 -0.852 20 0 CBADRP O=C1OCCN1CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246231351 825654351 /nfs/dbraw/zinc/65/43/51/825654351.db2.gz DULVBWRSZBPQLO-JTQLQIEISA-N 2 0 254.334 -0.878 20 0 CBADRP CN1C[C@H](C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246236924 825654463 /nfs/dbraw/zinc/65/44/63/825654463.db2.gz ZPNUWRCLKBNXDE-QWRGUYRKSA-N 2 0 252.362 -0.852 20 0 CBADRP C[N@@H+]1CCCN(CC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246241600 825655033 /nfs/dbraw/zinc/65/50/33/825655033.db2.gz STPGKCHLEIMRGN-CQSZACIVSA-N 3 0 281.448 -0.693 20 0 CBADRP OC[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@H](O)c1ccccc1 ZINC001246238150 825655400 /nfs/dbraw/zinc/65/54/00/825655400.db2.gz FGNIJRSJJWMIHV-KKUMJFAQSA-N 2 0 291.395 -0.236 20 0 CBADRP OC[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@H](O)c1ccccc1 ZINC001246238148 825655698 /nfs/dbraw/zinc/65/56/98/825655698.db2.gz FGNIJRSJJWMIHV-ILXRZTDVSA-N 2 0 291.395 -0.236 20 0 CBADRP COCCn1cncc1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246241151 825655999 /nfs/dbraw/zinc/65/59/99/825655999.db2.gz UPQYKTOHHJHQGM-GFCCVEGCSA-N 2 0 279.388 -0.287 20 0 CBADRP O[C@@H](C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(F)(F)F ZINC001246256324 825656234 /nfs/dbraw/zinc/65/62/34/825656234.db2.gz OFPLYOXANPPFEE-SFYZADRCSA-N 2 0 253.268 -0.407 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)CN1 ZINC001246256384 825656321 /nfs/dbraw/zinc/65/63/21/825656321.db2.gz PALIORWOTSSYAS-PWNZVWSESA-N 2 0 297.399 -0.219 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CO[C@@]3(C2)CCC[NH2+]C3)CN1 ZINC001246256390 825657140 /nfs/dbraw/zinc/65/71/40/825657140.db2.gz PALIORWOTSSYAS-SFDCQRBFSA-N 2 0 297.399 -0.219 20 0 CBADRP COC(=O)CC(CC(=O)OC)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246273126 825657648 /nfs/dbraw/zinc/65/76/48/825657648.db2.gz SFTQOWHOZLUARQ-JTQLQIEISA-N 2 0 299.371 -0.835 20 0 CBADRP O=C(C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)NCc1ccco1 ZINC001246280695 825658898 /nfs/dbraw/zinc/65/88/98/825658898.db2.gz VUZWQYPNEVEIHV-LLVKDONJSA-N 2 0 278.356 -0.421 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCCN(C)CCC[NH3+])CN1 ZINC001246285768 825659108 /nfs/dbraw/zinc/65/91/08/825659108.db2.gz VWEIVSINWRAPRM-RYUDHWBXSA-N 2 0 272.393 -0.850 20 0 CBADRP CN(CCC[NH3+])CCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246285334 825659307 /nfs/dbraw/zinc/65/93/07/825659307.db2.gz RZPHLTDPGHRVFW-CYBMUJFWSA-N 3 0 269.437 -0.659 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](N(CCC[NH3+])CCC[NH+](C)C)CN1 ZINC001246276957 825659696 /nfs/dbraw/zinc/65/96/96/825659696.db2.gz FSFZTTYQUROVEB-OLZOCXBDSA-N 2 0 286.420 -0.508 20 0 CBADRP O=C1CCNC[C@H]1[NH2+]C1CCC2(CC1)C[NH2+]CCO2 ZINC001246288211 825660103 /nfs/dbraw/zinc/66/01/03/825660103.db2.gz HPUZOSZWSMFQQK-MBHSVXNSSA-N 2 0 267.373 -0.192 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@@H]1NC1CCC([NH+]2CCOCC2)CC1 ZINC001246299477 825661674 /nfs/dbraw/zinc/66/16/74/825661674.db2.gz KZHXPJOXKTUWRC-PPWQZUPISA-N 2 0 283.416 -0.200 20 0 CBADRP COC(=O)C1C[C@@H]2CC(N[C@@H]3C[NH2+]C[C@H]3CO)C[C@H](C1)[NH2+]2 ZINC001246302043 825661759 /nfs/dbraw/zinc/66/17/59/825661759.db2.gz ZYPIBWRJLHQXEP-OOJLBHAVSA-N 2 0 297.399 -0.772 20 0 CBADRP OC[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1ccccn1 ZINC001246306957 825662998 /nfs/dbraw/zinc/66/29/98/825662998.db2.gz CIZDTXPXSJXPJM-AAEUAGOBSA-N 2 0 262.357 -0.201 20 0 CBADRP CC[C@H]([NH3+])CN[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246310985 825663563 /nfs/dbraw/zinc/66/35/63/825663563.db2.gz BLQQCCVUQQLAGH-DCAQKATOSA-N 2 0 272.418 -0.423 20 0 CBADRP COC(=O)[C@@H](N[C@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001246326226 825664218 /nfs/dbraw/zinc/66/42/18/825664218.db2.gz DJJJYBJMESWUIY-RYUDHWBXSA-N 2 0 255.362 -0.131 20 0 CBADRP NC[C@@]1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CN2CCC1CC2 ZINC001246322601 825664286 /nfs/dbraw/zinc/66/42/86/825664286.db2.gz BEBBMPFIJASXPJ-UKRRQHHQSA-N 2 0 279.432 -0.907 20 0 CBADRP [NH3+]CCC(=O)NCCc1cncn1[C@@H]1CCC[NH2+]C1 ZINC001246322405 825664476 /nfs/dbraw/zinc/66/44/76/825664476.db2.gz IFNSJAUSISUVBY-LLVKDONJSA-N 2 0 265.361 -0.185 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CC[NH2+][C@H](C)C1 ZINC001246322245 825664301 /nfs/dbraw/zinc/66/43/01/825664301.db2.gz SNFSFAOQDAXKBO-KXNHARMFSA-N 2 0 255.362 -0.132 20 0 CBADRP NC[C@]1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CN2CCC1CC2 ZINC001246322600 825664313 /nfs/dbraw/zinc/66/43/13/825664313.db2.gz BEBBMPFIJASXPJ-HIFRSBDPSA-N 2 0 279.432 -0.907 20 0 CBADRP [NH3+]CCC(=O)NCCc1cncn1C1CC[NH2+]CC1 ZINC001246326422 825664649 /nfs/dbraw/zinc/66/46/49/825664649.db2.gz UUHXWTULRNCATA-UHFFFAOYSA-N 2 0 265.361 -0.185 20 0 CBADRP C[C@@H]1COCCN1CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246324232 825664708 /nfs/dbraw/zinc/66/47/08/825664708.db2.gz FZZLMLPICLUVGZ-OLZOCXBDSA-N 2 0 268.405 -0.609 20 0 CBADRP CC(=O)NCCCCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246332072 825665872 /nfs/dbraw/zinc/66/58/72/825665872.db2.gz DGEYLMRGYZAAKP-CYBMUJFWSA-N 2 0 268.405 -0.024 20 0 CBADRP COC(=O)[C@@H](N[C@H]1CCNC2(C[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC001246332065 825666037 /nfs/dbraw/zinc/66/60/37/825666037.db2.gz YPALHVOTFRRFIJ-STQMWFEESA-N 2 0 296.415 -0.789 20 0 CBADRP COCC(=O)N1CCC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246347384 825666560 /nfs/dbraw/zinc/66/65/60/825666560.db2.gz BWIYSHFVGDLYPL-CYBMUJFWSA-N 2 0 296.415 -0.693 20 0 CBADRP O=C1CNCCN1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246349152 825667628 /nfs/dbraw/zinc/66/76/28/825667628.db2.gz BARKLIWQZMIKHA-FOSCPWQOSA-N 2 0 252.362 -0.709 20 0 CBADRP [NH3+]CCN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)N(O)N=O ZINC001246349200 825667917 /nfs/dbraw/zinc/66/79/17/825667917.db2.gz HHEDQWJIVKHTDP-ZACCUICWSA-N 3 0 272.353 -0.593 20 0 CBADRP CCOC(=O)C1=C(N[C@@H]2CCNC3(C[NH2+]C3)C2)C[NH2+]C1 ZINC001246350697 825668021 /nfs/dbraw/zinc/66/80/21/825668021.db2.gz NZTZUHBCKAZYEN-SNVBAGLBSA-N 2 0 280.372 -0.910 20 0 CBADRP O=C(C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)NC1CCC1 ZINC001246351521 825668037 /nfs/dbraw/zinc/66/80/37/825668037.db2.gz NDFKMTNUQBNMTJ-NSHDSACASA-N 2 0 252.362 -0.661 20 0 CBADRP C(CO[C@H]1CC[NH2+]C1)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246364420 825668905 /nfs/dbraw/zinc/66/89/05/825668905.db2.gz BGNMSXGJYGRROB-RYUDHWBXSA-N 3 0 254.378 -0.952 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C3CC[NH2+]CC3)C2)CN1 ZINC001246368489 825669001 /nfs/dbraw/zinc/66/90/01/825669001.db2.gz CKFNQOLEURCSGF-SCRDCRAPSA-N 2 0 296.415 -0.694 20 0 CBADRP CC(C)C(=O)N1CC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246359974 825669063 /nfs/dbraw/zinc/66/90/63/825669063.db2.gz DFLOJGQIXQRGAL-OLZOCXBDSA-N 2 0 280.416 -0.073 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1CCN(C3CCOCC3)C1)CCN2 ZINC001246362252 825669072 /nfs/dbraw/zinc/66/90/72/825669072.db2.gz OKKVHTWNPCSFGV-KBPBESRZSA-N 2 0 294.443 -0.077 20 0 CBADRP c1ccc(N2CC([NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)C2)nc1 ZINC001246366877 825669191 /nfs/dbraw/zinc/66/91/91/825669191.db2.gz KJEQADPRYOIUIS-GFCCVEGCSA-N 2 0 273.384 -0.046 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])N[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246401500 825670792 /nfs/dbraw/zinc/67/07/92/825670792.db2.gz LYKRIEVJTJXEBH-MNOVXSKESA-N 2 0 271.361 -0.623 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+]C1CCN([C@@H]3CC[NH2+]C3)CC1)CCN2 ZINC001246370738 825670800 /nfs/dbraw/zinc/67/08/00/825670800.db2.gz GQIXERGFDMFUBG-LSDHHAIUSA-N 3 0 293.459 -0.504 20 0 CBADRP CC(=O)N1CC[C@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)C1 ZINC001246412405 825671876 /nfs/dbraw/zinc/67/18/76/825671876.db2.gz CNQXRDDDWUTNSE-QWRGUYRKSA-N 2 0 256.350 -0.820 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CSC2(C[NH2+]C2)C1 ZINC001246418473 825672613 /nfs/dbraw/zinc/67/26/13/825672613.db2.gz RDKNNHFVJKYOAJ-ZJUUUORDSA-N 3 0 272.418 -0.594 20 0 CBADRP CCN1CC[C@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)CC1=O ZINC001246420715 825673073 /nfs/dbraw/zinc/67/30/73/825673073.db2.gz ZHYSUQYRDHHFRW-QWRGUYRKSA-N 2 0 270.377 -0.430 20 0 CBADRP CC[C@]1(C(=O)OC)C[C@H]([NH2+]CCCNCCC[NH3+])CN1 ZINC001246453413 825674080 /nfs/dbraw/zinc/67/40/80/825674080.db2.gz NULWZIAUAZFPEZ-GXTWGEPZSA-N 2 0 286.420 -0.412 20 0 CBADRP CS(=O)(=O)N1CCC([NH2+][C@H]2CC23C[NH2+]C3)CC1 ZINC001246445167 825674209 /nfs/dbraw/zinc/67/42/09/825674209.db2.gz NEOCVTZIYADQQT-JTQLQIEISA-N 2 0 259.375 -0.638 20 0 CBADRP CCOC(=O)[C@@H]1C[C@@H]([NH2+]CCCNCCC[NH3+])CCN1 ZINC001246453764 825674221 /nfs/dbraw/zinc/67/42/21/825674221.db2.gz PJYVFMREPIOMBW-STQMWFEESA-N 2 0 286.420 -0.412 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCNCCC[NH3+])CN1 ZINC001246450824 825674258 /nfs/dbraw/zinc/67/42/58/825674258.db2.gz DDWKCSUMURBMFB-STQMWFEESA-N 2 0 286.420 -0.412 20 0 CBADRP COC(=O)[C@@H]1C[C@H](NCCC[NH2+]CCCC[NH3+])CN1 ZINC001246457672 825674629 /nfs/dbraw/zinc/67/46/29/825674629.db2.gz PZEQDDVORWNOCT-RYUDHWBXSA-N 2 0 272.393 -0.802 20 0 CBADRP O=C1C[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCCN1 ZINC001246461481 825674822 /nfs/dbraw/zinc/67/48/22/825674822.db2.gz JSXWKAAPVKAILO-GHMZBOCLSA-N 2 0 252.362 -0.661 20 0 CBADRP O=C1C[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCCN1 ZINC001246461483 825675147 /nfs/dbraw/zinc/67/51/47/825675147.db2.gz JSXWKAAPVKAILO-MNOVXSKESA-N 2 0 252.362 -0.661 20 0 CBADRP C1CC12C[NH2+]CC[C@@H]2[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246475277 825675703 /nfs/dbraw/zinc/67/57/03/825675703.db2.gz UOUIQCCGIQAWSL-RYUDHWBXSA-N 3 0 250.390 -0.188 20 0 CBADRP Cc1nc(=N)n([C@@H]2CCNC3(C[NH2+]C3)C2)cc1C[NH3+] ZINC001246479574 825675967 /nfs/dbraw/zinc/67/59/67/825675967.db2.gz UEFXJAGGBGOPLN-LLVKDONJSA-N 2 0 262.361 -0.604 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)CN1 ZINC001246479094 825676760 /nfs/dbraw/zinc/67/67/60/825676760.db2.gz SANDIVGJOOYQHI-YYHQMBLXSA-N 2 0 265.357 -0.356 20 0 CBADRP CC[NH+](CC)CCNC(=[NH2+])N[C@H]1CN[C@H](C(=O)OC)C1 ZINC001246497170 825677167 /nfs/dbraw/zinc/67/71/67/825677167.db2.gz VXSGFEPCDNNKRJ-MNOVXSKESA-N 2 0 285.392 -0.654 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001246513209 825678811 /nfs/dbraw/zinc/67/88/11/825678811.db2.gz QVQUOVNGYBEYNM-UWVGGRQHSA-N 2 0 277.390 -0.993 20 0 CBADRP COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246524560 825679796 /nfs/dbraw/zinc/67/97/96/825679796.db2.gz GVIBWNACRMBHKQ-VXGBXAGGSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@H]1C[C@@H](n2cnc(C[C@H]([NH3+])C(N)=O)c2)CC[NH2+]1 ZINC001246525006 825680139 /nfs/dbraw/zinc/68/01/39/825680139.db2.gz QTHGFJZEBWOVAA-LSJOCFKGSA-N 2 0 251.334 -0.449 20 0 CBADRP [NH3+]CC[C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246528589 825681304 /nfs/dbraw/zinc/68/13/04/825681304.db2.gz AJNOMPVVCHAYPY-NEPJUHHUSA-N 3 0 254.378 -0.870 20 0 CBADRP NC(=O)NC1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246535264 825681428 /nfs/dbraw/zinc/68/14/28/825681428.db2.gz KMVZKNZHWLCSDC-NSHDSACASA-N 2 0 267.377 -0.787 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)CN1 ZINC001246544744 825682978 /nfs/dbraw/zinc/68/29/78/825682978.db2.gz SLVZVVUNDJHASJ-VNHYZAJKSA-N 2 0 299.415 -0.154 20 0 CBADRP COC(=O)[C@H]1C[C@@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)CN1 ZINC001246542364 825683010 /nfs/dbraw/zinc/68/30/10/825683010.db2.gz JWRDBNPKSSBNMP-WZRBSPASSA-N 2 0 271.361 -0.934 20 0 CBADRP [NH3+]C[C@@]1(O)CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246546280 825683061 /nfs/dbraw/zinc/68/30/61/825683061.db2.gz ZDSXCCXXGCTMQT-TZMCWYRMSA-N 3 0 268.405 -0.744 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)CCN1 ZINC001246544374 825683522 /nfs/dbraw/zinc/68/35/22/825683522.db2.gz RESXEMLZLZOVRB-OBJOEFQTSA-N 2 0 285.388 -0.544 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)CCN1 ZINC001246538347 825683548 /nfs/dbraw/zinc/68/35/48/825683548.db2.gz BAGUEIRQIVBOMK-USZNOCQGSA-N 2 0 255.362 -0.193 20 0 CBADRP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246555062 825684583 /nfs/dbraw/zinc/68/45/83/825684583.db2.gz BFNUUDNBWRXZRN-GHMZBOCLSA-N 3 0 274.359 -0.004 20 0 CBADRP COC(=O)[C@H]1CCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246554420 825684747 /nfs/dbraw/zinc/68/47/47/825684747.db2.gz WOYZUGRNFMNWDO-WDEREUQCSA-N 2 0 253.346 -0.282 20 0 CBADRP COC(=O)[C@@]1(F)CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246548558 825685144 /nfs/dbraw/zinc/68/51/44/825685144.db2.gz IZOCEUWXAORKHV-GXFFZTMASA-N 2 0 271.336 -0.333 20 0 CBADRP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246565208 825686460 /nfs/dbraw/zinc/68/64/60/825686460.db2.gz YLHLVUOKESFUGK-HIFRSBDPSA-N 2 0 299.415 -0.201 20 0 CBADRP [NH3+][C@@H]1CC[N@@H+](C2CCC3(CC2)C[NH2+]CCO3)C[C@H]1O ZINC001246560068 825686526 /nfs/dbraw/zinc/68/65/26/825686526.db2.gz RPQLTKVEHIIWEJ-CEUNDQEZSA-N 3 0 269.389 -0.319 20 0 CBADRP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCC[C@@H](n3ncnn3)C2)C[C@H]1O ZINC001246567477 825687834 /nfs/dbraw/zinc/68/78/34/825687834.db2.gz KXRFCOWPLZFHHE-IRCOFANPSA-N 2 0 266.349 -0.449 20 0 CBADRP [NH3+][C@@H]1CN([C@H]2CCNC3(C[NH2+]C3)C2)CC(F)(F)C1 ZINC001246575559 825688721 /nfs/dbraw/zinc/68/87/21/825688721.db2.gz QDXRRCLDOCSNQA-UWVGGRQHSA-N 2 0 260.332 -0.251 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCN(C3CC3)C(=O)C2)C[C@@H]1O ZINC001246578976 825688895 /nfs/dbraw/zinc/68/88/95/825688895.db2.gz DJGUMKBAACKLMI-DLOVCJGASA-N 2 0 253.346 -0.609 20 0 CBADRP COCCC[NH+]1CCC(N2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246578798 825689110 /nfs/dbraw/zinc/68/91/10/825689110.db2.gz CHIKDQNQYKRIPC-JSGCOSHPSA-N 2 0 271.405 -0.261 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCCC3(C2)OCCO3)C[C@H]1O ZINC001246579364 825689594 /nfs/dbraw/zinc/68/95/94/825689594.db2.gz IVBRGOJGVBYKQL-QJPTWQEYSA-N 2 0 256.346 -0.077 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCC[C@@H](n3ncnn3)C2)C[C@@H]1O ZINC001246585210 825690583 /nfs/dbraw/zinc/69/05/83/825690583.db2.gz OVOADNQPNRZOBA-YFKTTZPYSA-N 2 0 266.349 -0.592 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCC[C@@H](n3ncnn3)C2)C[C@H]1O ZINC001246580769 825690778 /nfs/dbraw/zinc/69/07/78/825690778.db2.gz OVOADNQPNRZOBA-IRCOFANPSA-N 2 0 266.349 -0.592 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246590939 825692674 /nfs/dbraw/zinc/69/26/74/825692674.db2.gz BGBMHLPZRMNCJU-RYUDHWBXSA-N 2 0 254.378 -0.999 20 0 CBADRP COC(=O)[C@@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246595506 825692689 /nfs/dbraw/zinc/69/26/89/825692689.db2.gz SYRKRZMYIJFTQL-GHMZBOCLSA-N 2 0 253.346 -0.425 20 0 CBADRP C[C@@H]1CC[C@H](N2CCOC[C@]3(C[NH2+]CCO3)C2)C[NH2+]1 ZINC001246599341 825693593 /nfs/dbraw/zinc/69/35/93/825693593.db2.gz CHTSCUAAMKNDNY-RDBSUJKOSA-N 2 0 269.389 -0.182 20 0 CBADRP C[C@@H]1CC[C@H](N2CC(=O)NC[C@@]23CC[NH2+]C3)C[NH2+]1 ZINC001246614314 825695316 /nfs/dbraw/zinc/69/53/16/825695316.db2.gz ATKBULAABBLKFR-MDZLAQPJSA-N 2 0 252.362 -0.709 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCOC3(CC[NH2+]CC3)C1)CCN2 ZINC001246608701 825695471 /nfs/dbraw/zinc/69/54/71/825695471.db2.gz YEJCCHXBYLMCLB-CYBMUJFWSA-N 3 0 280.416 -0.465 20 0 CBADRP C1C[C@@]2(CCCN([C@H]3CCNC4(C[NH2+]C4)C3)C2)[NH2+]1 ZINC001246614315 825695533 /nfs/dbraw/zinc/69/55/33/825695533.db2.gz RNKSAFXCYZBCQX-QWHCGFSZSA-N 2 0 250.390 -0.092 20 0 CBADRP C[C@@H]1CC[C@@H](N2CC(=O)NC[C@@]23CC[NH2+]C3)C[NH2+]1 ZINC001246614326 825695790 /nfs/dbraw/zinc/69/57/90/825695790.db2.gz ATKBULAABBLKFR-WZRBSPASSA-N 2 0 252.362 -0.709 20 0 CBADRP C1C[C@]2(C[NH2+]1)CNCCN2C1CCC2(CC1)C[NH2+]CCO2 ZINC001246622100 825696543 /nfs/dbraw/zinc/69/65/43/825696543.db2.gz GFPATONDGMPQEU-PCKAHOCUSA-N 2 0 294.443 -0.075 20 0 CBADRP C[C@@H]1C[C@H](N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CC[NH2+]1 ZINC001246623118 825696580 /nfs/dbraw/zinc/69/65/80/825696580.db2.gz BEEFLXBDUYESSU-LALPHHSUSA-N 2 0 278.400 -0.462 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CCNC[C@]13CC[NH2+]C3)CCO2 ZINC001246623722 825696835 /nfs/dbraw/zinc/69/68/35/825696835.db2.gz KJBOSDFTVRUDSV-QWHCGFSZSA-N 2 0 266.389 -0.855 20 0 CBADRP C[C@@H]1C[C@H](N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CC[NH2+]1 ZINC001246623105 825696876 /nfs/dbraw/zinc/69/68/76/825696876.db2.gz BEEFLXBDUYESSU-JMSVASOKSA-N 2 0 278.400 -0.462 20 0 CBADRP O=C1COC2(C1)CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246623901 825697149 /nfs/dbraw/zinc/69/71/49/825697149.db2.gz LZQMPLLSZXOVMN-GFCCVEGCSA-N 2 0 279.384 -0.096 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CN1 ZINC001246620975 825697366 /nfs/dbraw/zinc/69/73/66/825697366.db2.gz CBEDXYFUJIYDOC-USZNOCQGSA-N 2 0 253.346 -0.569 20 0 CBADRP C[C@H]1C[C@@H](N2CC(=O)NC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246626581 825698197 /nfs/dbraw/zinc/69/81/97/825698197.db2.gz JUWJVZFNOXYCMV-RYUDHWBXSA-N 2 0 266.389 -0.319 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3C[NH2+]CC[C@H]32)CN1 ZINC001246631396 825698281 /nfs/dbraw/zinc/69/82/81/825698281.db2.gz SJMCFDQSTSEISG-QNWHQSFQSA-N 2 0 267.373 -0.036 20 0 CBADRP C[C@@H]1CC[C@@H](N2CCO[C@]3(C2)C[NH2+]CCOC3)C[NH2+]1 ZINC001246627477 825698566 /nfs/dbraw/zinc/69/85/66/825698566.db2.gz KEZPJWMVJOEHJD-MCIONIFRSA-N 2 0 269.389 -0.182 20 0 CBADRP CCN1CC[C@@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1=O ZINC001246642036 825700408 /nfs/dbraw/zinc/70/04/08/825700408.db2.gz LCVOYXUAKVNUCP-OCCSQVGLSA-N 2 0 266.389 -0.365 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCN[C@@]3(CC[NH2+]C3)C1)CCO2 ZINC001246640722 825701221 /nfs/dbraw/zinc/70/12/21/825701221.db2.gz GVFCALYIRYPYMW-CHWSQXEVSA-N 3 0 266.389 -0.855 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCC[C@@]3(CNCCO3)C1)CCN2 ZINC001246645110 825702027 /nfs/dbraw/zinc/70/20/27/825702027.db2.gz BCJBQUJMCVRFJS-DZGCQCFKSA-N 2 0 280.416 -0.465 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CCC[C@]13CC[NH2+]C3)CCN2 ZINC001246651695 825702321 /nfs/dbraw/zinc/70/23/21/825702321.db2.gz YJVJGIMBZYJZLT-TZMCWYRMSA-N 3 0 250.390 -0.092 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@H+](C)CC2CC[NH2+]CC2)CN1 ZINC001246678607 825706100 /nfs/dbraw/zinc/70/61/00/825706100.db2.gz OOSMKCJXMPCONW-RYUDHWBXSA-N 2 0 255.362 -0.179 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)CN1 ZINC001246681003 825706936 /nfs/dbraw/zinc/70/69/36/825706936.db2.gz ZABFCWGYAYHADQ-RTXFEEFZSA-N 2 0 267.373 -0.179 20 0 CBADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246697485 825708232 /nfs/dbraw/zinc/70/82/32/825708232.db2.gz ARIIIPCJNCXUDA-RDBSUJKOSA-N 3 0 264.417 -0.036 20 0 CBADRP COCC(=O)NC1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246788793 825710571 /nfs/dbraw/zinc/71/05/71/825710571.db2.gz PYOLTWIVDWRXQX-ZDUSSCGKSA-N 2 0 296.415 -0.693 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH+]1CC(N3CCOCC3)C1)CCN2 ZINC001246796880 825711914 /nfs/dbraw/zinc/71/19/14/825711914.db2.gz MDGZUJSFIDLOKY-LBPRGKRZSA-N 2 0 266.389 -0.903 20 0 CBADRP CC1(C(N)=O)CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246805422 825712908 /nfs/dbraw/zinc/71/29/08/825712908.db2.gz UAMOWMRMFPSYGE-NSHDSACASA-N 2 0 266.389 -0.332 20 0 CBADRP COC(=O)C[C@H]1C[NH2+]CCN1[C@@H]1CCCC[NH2+]C1 ZINC001246812426 825714215 /nfs/dbraw/zinc/71/42/15/825714215.db2.gz CXTDOLYBSDPDNS-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP COC(=O)C[C@@H]1C[NH2+]CCN1[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246814516 825715137 /nfs/dbraw/zinc/71/51/37/825715137.db2.gz PUQAHYSPBNPIJB-QJPTWQEYSA-N 2 0 255.362 -0.036 20 0 CBADRP CCOC(=O)[C@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246817315 825715328 /nfs/dbraw/zinc/71/53/28/825715328.db2.gz RDFLQHQBVCYUAW-NWDGAFQWSA-N 2 0 267.373 -0.035 20 0 CBADRP COC(=O)C[C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246817446 825715370 /nfs/dbraw/zinc/71/53/70/825715370.db2.gz KVENWNAOMKHGHD-RYUDHWBXSA-N 2 0 283.372 -0.656 20 0 CBADRP CN(C1C[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1)[C@H]1CCOC1 ZINC001246820809 825715772 /nfs/dbraw/zinc/71/57/72/825715772.db2.gz QITMQBFVSDUILR-OLZOCXBDSA-N 2 0 280.416 -0.515 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](N2CC([N@H+](C)[C@@H]3CCOC3)C2)CN1 ZINC001246819793 825716201 /nfs/dbraw/zinc/71/62/01/825716201.db2.gz JSLAAOIWDRGQCF-WZRBSPASSA-N 2 0 283.372 -0.705 20 0 CBADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[NH2+]CCNCC[NH2+]CC1)C2 ZINC001246820100 825716749 /nfs/dbraw/zinc/71/67/49/825716749.db2.gz JJRMIKRQHUHGQJ-MUJYYYPQSA-N 3 0 295.475 -0.304 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001246820045 825716771 /nfs/dbraw/zinc/71/67/71/825716771.db2.gz JDEIDTPBLQNNBB-HNNXBMFYSA-N 3 0 283.464 -0.445 20 0 CBADRP C1C[NH2+]CC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246823270 825717090 /nfs/dbraw/zinc/71/70/90/825717090.db2.gz UVRKMGGQKMWXCQ-CQSZACIVSA-N 3 0 269.437 -0.787 20 0 CBADRP C[NH+](C)CCCN1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246825856 825717836 /nfs/dbraw/zinc/71/78/36/825717836.db2.gz VXJDHJGZIJARSN-OAHLLOKOSA-N 3 0 295.475 -0.350 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CC3(C1)CCCC[NH2+]3)CCN2 ZINC001246832058 825718837 /nfs/dbraw/zinc/71/88/37/825718837.db2.gz HIQWPUOJOOHNOA-LBPRGKRZSA-N 2 0 250.390 -0.092 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246843192 825720153 /nfs/dbraw/zinc/72/01/53/825720153.db2.gz BHGRKXCNLPHCLQ-RYUDHWBXSA-N 2 0 266.389 -0.367 20 0 CBADRP C[N@H+](C1CCS(=O)(=O)CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246844141 825720427 /nfs/dbraw/zinc/72/04/27/825720427.db2.gz GNGBGFUZGOXGTG-GFCCVEGCSA-N 2 0 287.429 -0.411 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CN1 ZINC001246840606 825720648 /nfs/dbraw/zinc/72/06/48/825720648.db2.gz IYRXSVFOBCDZMF-RNJOBUHISA-N 2 0 267.373 -0.227 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CN1 ZINC001246847130 825721187 /nfs/dbraw/zinc/72/11/87/825721187.db2.gz PODYKZGPZZZIAY-USZNOCQGSA-N 2 0 253.346 -0.569 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)CN1 ZINC001246847129 825721474 /nfs/dbraw/zinc/72/14/74/825721474.db2.gz PODYKZGPZZZIAY-RHYQMDGZSA-N 2 0 253.346 -0.569 20 0 CBADRP C[N@H+](CCC1OCCO1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246840616 825721526 /nfs/dbraw/zinc/72/15/26/825721526.db2.gz OMSSCEBKSLIYCW-NSHDSACASA-N 2 0 255.362 -0.225 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246857295 825722364 /nfs/dbraw/zinc/72/23/64/825722364.db2.gz OEAFTKCWNWBJRD-ZJUUUORDSA-N 2 0 271.386 -0.719 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@H]3COC[C@@H](C1)N3)CCN2 ZINC001246852832 825722614 /nfs/dbraw/zinc/72/26/14/825722614.db2.gz KSIXNCFUBDILAA-YNEHKIRRSA-N 2 0 266.389 -0.857 20 0 CBADRP C[NH2+]C1CCC(N2CC[NH2+]C[C@H]2C(=O)OC)CC1 ZINC001246857992 825722839 /nfs/dbraw/zinc/72/28/39/825722839.db2.gz YQKOCAXCQAVZNB-MCIGGMRASA-N 2 0 255.362 -0.036 20 0 CBADRP CC(=O)N1CCC[C@@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246858804 825723061 /nfs/dbraw/zinc/72/30/61/825723061.db2.gz IHBXOGPNRJCLBR-RBKKPWLPSA-N 2 0 267.373 -0.097 20 0 CBADRP COC(=O)[C@@H](N)C1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246865239 825723950 /nfs/dbraw/zinc/72/39/50/825723950.db2.gz SHZXTOJJSFIXDF-OLZOCXBDSA-N 2 0 296.415 -0.707 20 0 CBADRP CC(=O)N1CC[C@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246858882 825724255 /nfs/dbraw/zinc/72/42/55/825724255.db2.gz IYEOYOCYAMJBDG-FXJUQPSGSA-N 2 0 253.346 -0.487 20 0 CBADRP [NH3+]CC1CN([C@H]2CCC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246868267 825725221 /nfs/dbraw/zinc/72/52/21/825725221.db2.gz BAEQGKJGARHHKZ-GJZGRUSLSA-N 3 0 293.459 -0.565 20 0 CBADRP [NH3+]CC1CN([C@@H]2CCC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246868271 825725582 /nfs/dbraw/zinc/72/55/82/825725582.db2.gz BAEQGKJGARHHKZ-HUUCEWRRSA-N 3 0 293.459 -0.565 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@H]([N@H+](C)CCN2CC[NH2+]CC2)CN1 ZINC001246869923 825725669 /nfs/dbraw/zinc/72/56/69/825725669.db2.gz JDMKKJYLYAFRPR-KBPBESRZSA-N 2 0 298.431 -0.493 20 0 CBADRP O=C1NC2(CO1)CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246874755 825727488 /nfs/dbraw/zinc/72/74/88/825727488.db2.gz IYEPQBUMHVYOJG-NSHDSACASA-N 2 0 280.372 -0.345 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246901854 825729054 /nfs/dbraw/zinc/72/90/54/825729054.db2.gz AIHHMOZTQNMRMB-HGCLJGPKSA-N 2 0 253.346 -0.156 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246901856 825729242 /nfs/dbraw/zinc/72/92/42/825729242.db2.gz AIHHMOZTQNMRMB-SVNGYHJRSA-N 2 0 253.346 -0.156 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H](N2CCC[NH2+]CCC2)CN1 ZINC001246906550 825729709 /nfs/dbraw/zinc/72/97/09/825729709.db2.gz RFTICJSCRJVYIX-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246904666 825729821 /nfs/dbraw/zinc/72/98/21/825729821.db2.gz NFPFWEDEXBNIQG-MXWKQRLJSA-N 2 0 269.345 -0.918 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246904664 825729886 /nfs/dbraw/zinc/72/98/86/825729886.db2.gz NFPFWEDEXBNIQG-DCAQKATOSA-N 2 0 269.345 -0.918 20 0 CBADRP CS(=O)(=O)N([C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001246914158 825730334 /nfs/dbraw/zinc/73/03/34/825730334.db2.gz SNTUUBNSQMDDDI-PHIMTYICSA-N 2 0 261.391 -0.248 20 0 CBADRP COC[C@H]1COCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246914466 825732035 /nfs/dbraw/zinc/73/20/35/825732035.db2.gz LIPHPUPCGDDOSB-RYUDHWBXSA-N 2 0 255.362 -0.572 20 0 CBADRP COCCN([C@H]1CC[NH2+]C1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246928574 825732348 /nfs/dbraw/zinc/73/23/48/825732348.db2.gz LXBCDMQLWZBFRR-STQMWFEESA-N 2 0 268.405 -0.609 20 0 CBADRP COC(=O)[C@@H]1CN([C@@H]2CC3CC[NH+](CC3)C2)C[C@@H]1[NH3+] ZINC001246929910 825732355 /nfs/dbraw/zinc/73/23/55/825732355.db2.gz IOBAUZRVNOIQKE-UPJWGTAASA-N 2 0 267.373 -0.097 20 0 CBADRP COC(=O)[C@H](N)[C@H]1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246928433 825732831 /nfs/dbraw/zinc/73/28/31/825732831.db2.gz ZMFLZWWFOSUJGY-RWMBFGLXSA-N 2 0 296.415 -0.707 20 0 CBADRP CC[C@@H]1C[C@H](N2C[C@@H]([NH3+])[C@@H](C(=O)OC)C2)CC[NH2+]1 ZINC001246929080 825733107 /nfs/dbraw/zinc/73/31/07/825733107.db2.gz CGQDYRCDDJJFGX-WISYIIOYSA-N 2 0 255.362 -0.051 20 0 CBADRP CC[C@@H]1C[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CC[NH2+]1 ZINC001246926269 825733252 /nfs/dbraw/zinc/73/32/52/825733252.db2.gz SBGQRUIJXANGLP-ZIAGYGMSSA-N 3 0 299.463 -0.367 20 0 CBADRP COC(=O)[C@@H]1CN(C2C[C@H](C)[NH2+][C@@H](C)C2)C[C@H]1[NH3+] ZINC001246932521 825734048 /nfs/dbraw/zinc/73/40/48/825734048.db2.gz PWTIIMOGHLAZQC-GAIPPQHRSA-N 2 0 255.362 -0.053 20 0 CBADRP C[NH+]1CCN(C2C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)CC1 ZINC001246933509 825734550 /nfs/dbraw/zinc/73/45/50/825734550.db2.gz IYGPNPFUFXTDRI-CYBMUJFWSA-N 3 0 279.432 -0.988 20 0 CBADRP COC(=O)[C@@H]1CN(C2C[C@@H](C)[NH2+][C@H](C)C2)C[C@H]1[NH3+] ZINC001246938651 825734919 /nfs/dbraw/zinc/73/49/19/825734919.db2.gz PWTIIMOGHLAZQC-CNVPUSNMSA-N 2 0 255.362 -0.053 20 0 CBADRP OC[C@@H]1CCn2nccc2C[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246939987 825735224 /nfs/dbraw/zinc/73/52/24/825735224.db2.gz HXLQUNQRDXKHMB-OCCSQVGLSA-N 2 0 291.399 -0.456 20 0 CBADRP Cn1cnc2c1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246947580 825736325 /nfs/dbraw/zinc/73/63/25/825736325.db2.gz ZYBXXQMBLOQKGM-NSHDSACASA-N 2 0 261.373 -0.128 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CN1 ZINC001246972383 825736827 /nfs/dbraw/zinc/73/68/27/825736827.db2.gz DQBYMEHLUWVCRZ-NWBUJAPZSA-N 2 0 267.373 -0.051 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CN1 ZINC001246978200 825737580 /nfs/dbraw/zinc/73/75/80/825737580.db2.gz VCQNZQYKMCBJDI-NGDQXYMTSA-N 2 0 253.346 -0.441 20 0 CBADRP [NH3+]C1CCN([C@H]2CC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)CC1 ZINC001246978365 825738301 /nfs/dbraw/zinc/73/83/01/825738301.db2.gz SBXHAKNISKNBFM-GJZGRUSLSA-N 3 0 293.459 -0.422 20 0 CBADRP C[C@H]([NH3+])CN(C)[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246980616 825738735 /nfs/dbraw/zinc/73/87/35/825738735.db2.gz JUOAIYGNZSWWHX-AXFHLTTASA-N 2 0 272.418 -0.471 20 0 CBADRP FC(F)(F)[C@H]1C[NH2+]CCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246985730 825738993 /nfs/dbraw/zinc/73/89/93/825738993.db2.gz BVESJHVBAGNXOC-VHSXEESVSA-N 2 0 278.322 -0.084 20 0 CBADRP CC[N@H+]1C[C@@H]2C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246981109 825739491 /nfs/dbraw/zinc/73/94/91/825739491.db2.gz UTNHMDPVHHXQBL-MJBXVCDLSA-N 3 0 264.417 -0.036 20 0 CBADRP C[NH+](C)CCN([C@H]1CNC(=O)C1)[C@H]1CCC[NH2+]C1 ZINC001246987571 825739797 /nfs/dbraw/zinc/73/97/97/825739797.db2.gz MPPSWQKUURQOOC-NWDGAFQWSA-N 2 0 254.378 -0.510 20 0 CBADRP FC(F)(F)[C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246993716 825740357 /nfs/dbraw/zinc/74/03/57/825740357.db2.gz UCUFGSFANPHZEB-NXEZZACHSA-N 2 0 278.322 -0.084 20 0 CBADRP FC(F)(F)[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246993725 825740591 /nfs/dbraw/zinc/74/05/91/825740591.db2.gz UCUFGSFANPHZEB-UWVGGRQHSA-N 2 0 278.322 -0.084 20 0 CBADRP O=C1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@H]2CCCN12 ZINC001246993618 825740794 /nfs/dbraw/zinc/74/07/94/825740794.db2.gz OOPNJFIFTBQNLH-QWHCGFSZSA-N 2 0 278.400 -0.223 20 0 CBADRP COC(=O)[C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC12CC2 ZINC001246991869 825741141 /nfs/dbraw/zinc/74/11/41/825741141.db2.gz DAHIXLXDCGOTCD-VXGBXAGGSA-N 2 0 279.384 -0.035 20 0 CBADRP CC[N@H+]([C@@H](C)C(=O)OC)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246990723 825741156 /nfs/dbraw/zinc/74/11/56/825741156.db2.gz XVOLNELKKFSQNO-QWRGUYRKSA-N 2 0 255.362 -0.036 20 0 CBADRP C[NH+](C)CCNC(=S)NC1CC[NH+](CCO)CC1 ZINC001249846690 825751054 /nfs/dbraw/zinc/75/10/54/825751054.db2.gz LWNTXGPVORCVRV-UHFFFAOYSA-N 2 0 274.434 -0.531 20 0 CBADRP OCC[NH+](CCO)CCCNC[C@@H](O)C(F)(F)F ZINC001250987058 825755452 /nfs/dbraw/zinc/75/54/52/825755452.db2.gz FJMNZMKBIUXLQZ-SECBINFHSA-N 2 0 274.283 -0.824 20 0 CBADRP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC001251035067 825767365 /nfs/dbraw/zinc/76/73/65/825767365.db2.gz DRZFBPUWOXFNPL-KGLIPLIRSA-N 2 0 271.405 -0.247 20 0 CBADRP C[NH+]1CCN(c2cc[nH+]cc2NC[C@H](O)CO)CC1 ZINC001252055434 825817222 /nfs/dbraw/zinc/81/72/22/825817222.db2.gz OWHHJHSRKKUPPQ-NSHDSACASA-N 2 0 266.345 -0.402 20 0 CBADRP CN(C)CC(=O)N[C@@H]1CCC[N@H+](CC(C)(C)O)C1 ZINC001252356924 825835631 /nfs/dbraw/zinc/83/56/31/825835631.db2.gz NMZSIFBWAIWOHU-LLVKDONJSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+]1CCN(Cc2cccc(C[NH2+]C[C@H](O)CO)c2)CC1 ZINC001252069980 825827681 /nfs/dbraw/zinc/82/76/81/825827681.db2.gz HTRITPUQTFGPBR-INIZCTEOSA-N 2 0 293.411 -0.123 20 0 CBADRP COC(=O)[C@H](O)CN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001252423139 825851164 /nfs/dbraw/zinc/85/11/64/825851164.db2.gz PCPSWBUPWJXCCC-CQSZACIVSA-N 2 0 299.415 -0.520 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC001253209124 825905446 /nfs/dbraw/zinc/90/54/46/825905446.db2.gz XWLVLVQTHHTHPY-OAHLLOKOSA-N 3 0 287.448 -0.017 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@H]1CCC(=O)NC1 ZINC001253206716 825905769 /nfs/dbraw/zinc/90/57/69/825905769.db2.gz RGQKSGMWGCNOPS-VXGBXAGGSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1CCOC[C@H]1C(=O)OC ZINC001253212820 825906674 /nfs/dbraw/zinc/90/66/74/825906674.db2.gz ISGXOYREPYQZKK-UPJWGTAASA-N 2 0 288.388 -0.143 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H]1CCCNC(=O)C1 ZINC001253215435 825906703 /nfs/dbraw/zinc/90/67/03/825906703.db2.gz XPBGCMASHUOTPR-RYUDHWBXSA-N 2 0 257.378 -0.053 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C[C@H]1CCC(=O)NC1 ZINC001253405364 825914153 /nfs/dbraw/zinc/91/41/53/825914153.db2.gz XLHWAGAPRIPLRI-MNOVXSKESA-N 2 0 257.378 -0.149 20 0 CBADRP C[NH+]1CCC(CO)(NC[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253412297 825915092 /nfs/dbraw/zinc/91/50/92/825915092.db2.gz FDEIZYVZODEQMK-GFCCVEGCSA-N 2 0 273.421 -0.218 20 0 CBADRP CCOC(=O)C[C@H](O)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC001253807932 825932489 /nfs/dbraw/zinc/93/24/89/825932489.db2.gz LMCHYNVJYQOWOD-ZDUSSCGKSA-N 2 0 288.388 -0.406 20 0 CBADRP Nc1cc[nH+]cc1-c1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC001254058509 825939144 /nfs/dbraw/zinc/93/91/44/825939144.db2.gz DPWXRTFIGLPNHI-VIFPVBQESA-N 2 0 260.301 -0.259 20 0 CBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@@H]2CCS(=O)(=O)C2)O1 ZINC001254320239 825951241 /nfs/dbraw/zinc/95/12/41/825951241.db2.gz NVVFGRLCOWKWBI-KKOKHZNYSA-N 2 0 292.401 -0.512 20 0 CBADRP COC(=O)[C@@H](C[NH3+])C[NH2+]C1CCN(C(C)=O)CC1 ZINC001254416639 825960346 /nfs/dbraw/zinc/96/03/46/825960346.db2.gz BLYJOLFDTZINJW-JTQLQIEISA-N 2 0 257.334 -0.665 20 0 CBADRP CCOC(=O)CN1CCC([NH2+]CCN(C)CC[NH3+])CC1 ZINC001254400081 825960623 /nfs/dbraw/zinc/96/06/23/825960623.db2.gz ZGIINXPCXQTMGG-UHFFFAOYSA-N 2 0 286.420 -0.506 20 0 CBADRP C[N@@H+]1CCC[C@@H]([NH2+]CCN2C(=O)C=CC2=O)CC1 ZINC001254503700 825963911 /nfs/dbraw/zinc/96/39/11/825963911.db2.gz OXCZIIZYUOQMTI-LLVKDONJSA-N 2 0 251.330 -0.015 20 0 CBADRP C[N@@H+]1CCC[C@H](NCCC[NH+](CCO)CCO)CC1 ZINC001254499163 825964654 /nfs/dbraw/zinc/96/46/54/825964654.db2.gz BLOZOSALWOVAHA-AWEZNQCLSA-N 2 0 273.421 -0.263 20 0 CBADRP C[N@@H+]1CCC[C@H](n2cnc(C[C@H]([NH3+])C(N)=O)c2)CC1 ZINC001254513648 825964937 /nfs/dbraw/zinc/96/49/37/825964937.db2.gz FHDONBOGYFJRCM-RYUDHWBXSA-N 2 0 265.361 -0.105 20 0 CBADRP [NH3+]CCN(CC[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1)N(O)N=O ZINC001254933134 825972993 /nfs/dbraw/zinc/97/29/93/825972993.db2.gz DKPDSYASIUZGQC-NXEZZACHSA-N 2 0 285.348 -0.118 20 0 CBADRP C[N@@H+]1CC[C@H](n2cncc2CCNC(=O)CC[NH3+])C1 ZINC001255424336 825983061 /nfs/dbraw/zinc/98/30/61/825983061.db2.gz UQFXOMCUZLNNJF-LBPRGKRZSA-N 2 0 265.361 -0.233 20 0 CBADRP CC[NH+](CC)CC[C@@H](C)NS(=O)(=O)CC[NH3+] ZINC001255943793 825996083 /nfs/dbraw/zinc/99/60/83/825996083.db2.gz PURMGDHUABLGQI-SNVBAGLBSA-N 2 0 251.396 -0.015 20 0 CBADRP C[NH+]1CCC(n2cnc(C[C@H]([NH3+])C(N)=O)c2)CC1 ZINC001256201455 826003519 /nfs/dbraw/zinc/00/35/19/826003519.db2.gz CZCXHFIPONMWIY-NSHDSACASA-N 2 0 251.334 -0.495 20 0 CBADRP C[C@H](CC(=O)N1CCOCC1)NC(=[NH2+])SCC[NH3+] ZINC001256321082 826007849 /nfs/dbraw/zinc/00/78/49/826007849.db2.gz CZWCCKSIGUZIBQ-SECBINFHSA-N 2 0 274.390 -0.160 20 0 CBADRP OC[C@@H]1C[N@@H+](C2CCC([NH+]3CCOCC3)CC2)C[C@@H]1O ZINC001256690050 826029740 /nfs/dbraw/zinc/02/97/40/826029740.db2.gz FNFORCSPABLXTA-PPWQZUPISA-N 2 0 284.400 -0.085 20 0 CBADRP NC(=O)[C@@H](CO)[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256683319 826029917 /nfs/dbraw/zinc/02/99/17/826029917.db2.gz XDBRXGIRGMZYOA-HTAVTVPLSA-N 2 0 271.361 -0.934 20 0 CBADRP NC(=O)[C@@H]1C[N@@H+](C2CCC([NH+]3CCOCC3)CC2)CCO1 ZINC001256699477 826030380 /nfs/dbraw/zinc/03/03/80/826030380.db2.gz ZLKPRBTZGUIPNS-RUXDESIVSA-N 2 0 297.399 -0.184 20 0 CBADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CNC(=O)CO2)CC1 ZINC001257207731 826040974 /nfs/dbraw/zinc/04/09/74/826040974.db2.gz FKIYYJMNYZABTF-LBPRGKRZSA-N 2 0 255.362 -0.036 20 0 CBADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C(CO)(CO)CO ZINC001258899158 826069933 /nfs/dbraw/zinc/06/99/33/826069933.db2.gz GVBWTLKCYAQQLK-GFCCVEGCSA-N 2 0 262.394 -0.198 20 0 CBADRP CCC[NH+]1CCC(NCCN(CC[NH3+])N(O)N=O)CC1 ZINC001258769706 826070219 /nfs/dbraw/zinc/07/02/19/826070219.db2.gz COZOAQLTNDRYEK-UHFFFAOYSA-N 2 0 288.396 -0.001 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001261379136 826508806 /nfs/dbraw/zinc/50/88/06/826508806.db2.gz TYRCUNKKSUECEG-UTUOFQBUSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001261378543 826508929 /nfs/dbraw/zinc/50/89/29/826508929.db2.gz DBFDRDSMRAEUTJ-OUAUKWLOSA-N 2 0 270.377 -0.561 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001261436046 826511948 /nfs/dbraw/zinc/51/19/48/826511948.db2.gz NWOOGWXZXJUKFL-OWCLPIDISA-N 3 0 296.459 -0.189 20 0 CBADRP COC(=O)CCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001261436232 826511954 /nfs/dbraw/zinc/51/19/54/826511954.db2.gz UYAAHTUSESWMDH-GFCCVEGCSA-N 2 0 273.377 -0.863 20 0 CBADRP C[C@@H]([NH3+])C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001261457479 826515709 /nfs/dbraw/zinc/51/57/09/826515709.db2.gz LHYQELOTGIFXAP-MNOVXSKESA-N 2 0 254.378 -0.382 20 0 CBADRP [NH3+]C[C@@H]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001261460751 826516774 /nfs/dbraw/zinc/51/67/74/826516774.db2.gz NNUODAVAIDIEBH-QWRGUYRKSA-N 2 0 268.361 -0.948 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC001261460259 826516828 /nfs/dbraw/zinc/51/68/28/826516828.db2.gz XQVPVXUKRCUYNO-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NCCC[NH+]1CCC(O)CC1 ZINC001261459551 826516899 /nfs/dbraw/zinc/51/68/99/826516899.db2.gz SLDJLSHAFVKAFB-GFCCVEGCSA-N 2 0 273.377 -0.687 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC001261460962 826517849 /nfs/dbraw/zinc/51/78/49/826517849.db2.gz UFFVVMCHTARMGY-QMMMGPOBSA-N 2 0 251.334 -0.217 20 0 CBADRP O=C(CN1CC[C@H]2[NH2+]CC[C@H]2C1)N1CC[NH2+]CC1 ZINC001261492783 826523961 /nfs/dbraw/zinc/52/39/61/826523961.db2.gz UTWXRQQKAGKSKU-NWDGAFQWSA-N 2 0 252.362 -0.898 20 0 CBADRP [NH3+]CCCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC001261493474 826524159 /nfs/dbraw/zinc/52/41/59/826524159.db2.gz CVYPPOZADYELTI-SNVBAGLBSA-N 2 0 256.350 -0.900 20 0 CBADRP [NH3+]CCCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC001261493473 826524426 /nfs/dbraw/zinc/52/44/26/826524426.db2.gz CVYPPOZADYELTI-JTQLQIEISA-N 2 0 256.350 -0.900 20 0 CBADRP CC(C)([NH3+])c1noc(CN2CCN([C@H]3CC[NH2+]C3)CC2)n1 ZINC001261492750 826524494 /nfs/dbraw/zinc/52/44/94/826524494.db2.gz SOWORSRTCHETPF-NSHDSACASA-N 2 0 294.403 -0.257 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC001261494958 826525361 /nfs/dbraw/zinc/52/53/61/826525361.db2.gz LLDACMQBHAMLSE-JTQLQIEISA-N 2 0 251.334 -0.575 20 0 CBADRP COC1(C(=O)N2CC[C@](C)(C[NH3+])C2)CC[NH2+]CC1 ZINC001261500851 826527351 /nfs/dbraw/zinc/52/73/51/826527351.db2.gz IMRBZZKJESODGI-GFCCVEGCSA-N 2 0 255.362 -0.048 20 0 CBADRP CCN1CC[NH+](CCCCNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC001261502576 826527568 /nfs/dbraw/zinc/52/75/68/826527568.db2.gz QXRIZHXIAVLSJE-CYBMUJFWSA-N 2 0 268.405 -0.118 20 0 CBADRP [NH3+]CCC1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1 ZINC001261515246 826530597 /nfs/dbraw/zinc/53/05/97/826530597.db2.gz AKXDTLYDNRXXQJ-UHFFFAOYSA-N 3 0 254.378 -0.521 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC001261515325 826531042 /nfs/dbraw/zinc/53/10/42/826531042.db2.gz DDBVKFYPDKVIPC-GFCCVEGCSA-N 2 0 255.362 -0.441 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001261530425 826534817 /nfs/dbraw/zinc/53/48/17/826534817.db2.gz DCPNAJMLPDABLV-WCQYABFASA-N 2 0 268.405 -0.134 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)nn1 ZINC001261637159 826551578 /nfs/dbraw/zinc/55/15/78/826551578.db2.gz JNUFEBNFXSRMTM-ZJUUUORDSA-N 2 0 264.333 -0.797 20 0 CBADRP [NH3+]CCCCCC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001261643790 826554476 /nfs/dbraw/zinc/55/44/76/826554476.db2.gz GEQXEKWKLADELJ-UHFFFAOYSA-N 2 0 267.333 -0.224 20 0 CBADRP [NH3+]CCN(CCO)Cc1nc2c(s1)C[NH2+]CC2 ZINC001261648257 826556766 /nfs/dbraw/zinc/55/67/66/826556766.db2.gz YKLSUUONIFHBJA-UHFFFAOYSA-N 2 0 256.375 -0.458 20 0 CBADRP C[C@@H](C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+](C)C ZINC001262006311 826617342 /nfs/dbraw/zinc/61/73/42/826617342.db2.gz KPXPXVGANLFQOP-ZETCQYMHSA-N 2 0 253.306 -0.793 20 0 CBADRP [NH3+]Cc1ncc(C(=O)N[C@H]2CC23CC[NH2+]CC3)cn1 ZINC001262008627 826618467 /nfs/dbraw/zinc/61/84/67/826618467.db2.gz SVONZTUUGAEXMK-JTQLQIEISA-N 2 0 261.329 -0.193 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@H](C[NH3+])OC)CC1 ZINC001262035421 826626967 /nfs/dbraw/zinc/62/69/67/826626967.db2.gz JIOYHVIAMUPDAN-NSHDSACASA-N 2 0 259.350 -0.813 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1[C@H]2CCC[NH2+][C@H]2C1(C)C ZINC001262038989 826627421 /nfs/dbraw/zinc/62/74/21/826627421.db2.gz DYKWUDFUACJAPE-NNYUYHANSA-N 2 0 268.405 -0.232 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC001262062718 826629435 /nfs/dbraw/zinc/62/94/35/826629435.db2.gz FYVPJNWLTDWEBU-JHJVBQTASA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC[N@@H+]1C ZINC001262062095 826629465 /nfs/dbraw/zinc/62/94/65/826629465.db2.gz RIMFKFVBIUBFQL-SDDRHHMPSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001262071360 826631845 /nfs/dbraw/zinc/63/18/45/826631845.db2.gz XTNFFGMNGZFWIL-SDDRHHMPSA-N 2 0 282.388 -0.608 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001262072912 826632703 /nfs/dbraw/zinc/63/27/03/826632703.db2.gz CBOPQFGMHKADBD-FRRDWIJNSA-N 2 0 296.415 -0.219 20 0 CBADRP c1nnn([C@H]2CCC[NH2+]C2)c1CN[C@@H]1CC[NH2+]C1 ZINC001262162415 826646001 /nfs/dbraw/zinc/64/60/01/826646001.db2.gz NRWLQJYRWDCOOW-MNOVXSKESA-N 2 0 250.350 -0.346 20 0 CBADRP NS(=O)(=O)C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001262194997 826657044 /nfs/dbraw/zinc/65/70/44/826657044.db2.gz KUEFJQOLYPJUBE-GHMZBOCLSA-N 2 0 261.391 -0.404 20 0 CBADRP C([C@H]1CC2(C[NH2+]C2)CO1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001262195398 826657174 /nfs/dbraw/zinc/65/71/74/826657174.db2.gz ZFFXGEXMOJFHOG-UONOGXRCSA-N 3 0 280.416 -0.656 20 0 CBADRP NS(=O)(=O)C[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001262194998 826657402 /nfs/dbraw/zinc/65/74/02/826657402.db2.gz KUEFJQOLYPJUBE-MNOVXSKESA-N 2 0 261.391 -0.404 20 0 CBADRP CC(=O)NC[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC001262195217 826657508 /nfs/dbraw/zinc/65/75/08/826657508.db2.gz TWOVJCNOKDYLSA-VOAKCMCISA-N 2 0 255.362 -0.315 20 0 CBADRP C[C@@H](CC(N)=O)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001262202671 826661075 /nfs/dbraw/zinc/66/10/75/826661075.db2.gz ZOQNMVUXNKLBSI-UWVGGRQHSA-N 2 0 269.345 -0.475 20 0 CBADRP CCO[C@H](CC[NH+](C)C)C[NH2+]CCS(C)(=O)=O ZINC001262570231 826711598 /nfs/dbraw/zinc/71/15/98/826711598.db2.gz QTQWXVYCUXFPHW-LLVKDONJSA-N 2 0 266.407 -0.023 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]([NH3+])C(C)C ZINC001262584417 826713406 /nfs/dbraw/zinc/71/34/06/826713406.db2.gz BGCANPUISTZOHA-WDEREUQCSA-N 2 0 258.366 -0.401 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)C[C@H]1C(F)(F)F ZINC001262588006 826713839 /nfs/dbraw/zinc/71/38/39/826713839.db2.gz SPAQAMQHPCYDEX-XLPZGREQSA-N 2 0 266.267 -0.121 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001262586236 826713844 /nfs/dbraw/zinc/71/38/44/826713844.db2.gz YGOFTVOZTKKTBS-GHMZBOCLSA-N 2 0 256.350 -0.632 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001262587058 826713897 /nfs/dbraw/zinc/71/38/97/826713897.db2.gz SDPGLHNDFUCURM-GMTAPVOTSA-N 2 0 256.350 -0.728 20 0 CBADRP CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001263062200 826731877 /nfs/dbraw/zinc/73/18/77/826731877.db2.gz NLOZMBNMQWRVPF-RYUDHWBXSA-N 2 0 254.378 -0.510 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@@H]([NH3+])C(C)(C)O ZINC001263096252 826736271 /nfs/dbraw/zinc/73/62/71/826736271.db2.gz LVLYXFSEZIBUQD-SNVBAGLBSA-N 2 0 261.366 -0.831 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O)[NH+](C)C ZINC001263097151 826737162 /nfs/dbraw/zinc/73/71/62/826737162.db2.gz NQHLUPITJRDLJN-WDEREUQCSA-N 2 0 270.377 -0.750 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001263099397 826737263 /nfs/dbraw/zinc/73/72/63/826737263.db2.gz JOKPDWDIVDAHHO-HIFRSBDPSA-N 2 0 299.415 -0.284 20 0 CBADRP CC[NH+](CC)C[C@H]1CCN(C(=O)C[C@H](O)C[NH3+])C1 ZINC001263101730 826737584 /nfs/dbraw/zinc/73/75/84/826737584.db2.gz AJPCWPJQOZVPGL-NEPJUHHUSA-N 2 0 257.378 -0.114 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]([NH3+])C(C)(C)O ZINC001263102643 826737913 /nfs/dbraw/zinc/73/79/13/826737913.db2.gz ATIAIFXDXLIASQ-INTQDDNPSA-N 2 0 255.362 -0.317 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)NC[C@@H]([NH3+])C2CC2)CCOCC1 ZINC001263104664 826737991 /nfs/dbraw/zinc/73/79/91/826737991.db2.gz OZXMIDXSRVMWOG-MWLCHTKSSA-N 2 0 255.362 -0.016 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]([NH3+])C(C)(C)O ZINC001263102642 826737998 /nfs/dbraw/zinc/73/79/98/826737998.db2.gz ATIAIFXDXLIASQ-FBIMIBRVSA-N 2 0 255.362 -0.317 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@@H]([NH3+])C(C)(C)O)CC1 ZINC001263102917 826738355 /nfs/dbraw/zinc/73/83/55/826738355.db2.gz INNBKRFMHKIXPH-GFCCVEGCSA-N 2 0 286.420 -0.772 20 0 CBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)CNCC[NH3+])C1 ZINC001263102501 826738392 /nfs/dbraw/zinc/73/83/92/826738392.db2.gz WPPNVDQQZLTUBE-GFCCVEGCSA-N 2 0 256.394 -0.275 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001263104738 826738453 /nfs/dbraw/zinc/73/84/53/826738453.db2.gz RQKYGYIBWOJUGQ-QJPTWQEYSA-N 2 0 282.388 -0.621 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC001263114346 826740949 /nfs/dbraw/zinc/74/09/49/826740949.db2.gz LMIZAUGAUAEFDD-CHWSQXEVSA-N 2 0 268.405 -0.167 20 0 CBADRP [NH3+]CCNCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC001263128961 826741646 /nfs/dbraw/zinc/74/16/46/826741646.db2.gz XUTSNGPFVLMBKD-QWHCGFSZSA-N 2 0 280.347 -0.373 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC2(C[NH2+]C2)CC1 ZINC001263150779 826743669 /nfs/dbraw/zinc/74/36/69/826743669.db2.gz KSLRWZTWBXHYHG-LBPRGKRZSA-N 2 0 267.373 -0.033 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001263151679 826744293 /nfs/dbraw/zinc/74/42/93/826744293.db2.gz IUXSCDJULQKSFJ-MNOVXSKESA-N 2 0 253.346 -0.438 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCC(CC[NH3+])CC1 ZINC001263151223 826744295 /nfs/dbraw/zinc/74/42/95/826744295.db2.gz WDRNPTRVGRHPBZ-ZYHUDNBSSA-N 2 0 257.378 -0.210 20 0 CBADRP [NH3+]C[C@@]1(C(=O)N2CCC3(C[NH2+]C3)CC2)CCCOC1 ZINC001263152040 826744815 /nfs/dbraw/zinc/74/48/15/826744815.db2.gz UPENVEUNSBIYJL-AWEZNQCLSA-N 2 0 267.373 -0.046 20 0 CBADRP [NH3+][C@H](CO)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC001263153143 826744975 /nfs/dbraw/zinc/74/49/75/826744975.db2.gz FBJRMBLOFLCTPN-VXGBXAGGSA-N 2 0 255.362 -0.456 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001263161011 826746103 /nfs/dbraw/zinc/74/61/03/826746103.db2.gz UCIVQSRGQQJNFH-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001263161012 826746314 /nfs/dbraw/zinc/74/63/14/826746314.db2.gz UCIVQSRGQQJNFH-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP [NH3+][C@H](CO)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC001263161817 826746752 /nfs/dbraw/zinc/74/67/52/826746752.db2.gz PUUUUWFNOHTOGB-GFCCVEGCSA-N 2 0 255.362 -0.456 20 0 CBADRP [NH3+]C1(C(=O)N2CCC[C@H]([NH2+]CCO)C2)CCCC1 ZINC001263168159 826747259 /nfs/dbraw/zinc/74/72/59/826747259.db2.gz FRIIJGZIRTWVAS-NSHDSACASA-N 2 0 255.362 -0.169 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001263164775 826747340 /nfs/dbraw/zinc/74/73/40/826747340.db2.gz HCEDGJJYYVKSDL-GXTWGEPZSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001263168259 826747488 /nfs/dbraw/zinc/74/74/88/826747488.db2.gz HXQHOXWHLQVWHT-JHJVBQTASA-N 2 0 269.389 -0.195 20 0 CBADRP O=C(C1=NO[C@]2(C1)CCC[NH2+]C2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001263171913 826748320 /nfs/dbraw/zinc/74/83/20/826748320.db2.gz FVKJUSQWBWJISX-KWBADKCTSA-N 2 0 264.329 -0.542 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)C1([NH2+]C2CC2)CCC1 ZINC001263170419 826748496 /nfs/dbraw/zinc/74/84/96/826748496.db2.gz PPEGHRNJQLQWOX-NSHDSACASA-N 2 0 255.362 -0.300 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)C2=NOC3(C2)CC[NH2+]CC3)C1 ZINC001263175203 826749366 /nfs/dbraw/zinc/74/93/66/826749366.db2.gz WDJKSXUXTHJHFH-MGCOHNPYSA-N 2 0 266.345 -0.262 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)N2CCC[C@@H]2C[NH3+])n1 ZINC001263185276 826751638 /nfs/dbraw/zinc/75/16/38/826751638.db2.gz VDGJZCZRAWBSEO-SNVBAGLBSA-N 2 0 251.334 -0.205 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001263205825 826752397 /nfs/dbraw/zinc/75/23/97/826752397.db2.gz JTKXIUKKBQTWKB-GFQSEFKGSA-N 2 0 269.389 -0.149 20 0 CBADRP Nc1cc[nH+]cc1C(=O)NCCN1CCC([NH3+])CC1 ZINC001263191790 826752716 /nfs/dbraw/zinc/75/27/16/826752716.db2.gz AEOBTGDUEBSIPV-UHFFFAOYSA-N 2 0 263.345 -0.353 20 0 CBADRP CC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C[NH2+]C1 ZINC001263192580 826752576 /nfs/dbraw/zinc/75/25/76/826752576.db2.gz FCXZABVRVNBIKE-RNFRBKRXSA-N 2 0 251.252 -0.056 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC001263192133 826752745 /nfs/dbraw/zinc/75/27/45/826752745.db2.gz OIUVJECQJGLZRR-NSHDSACASA-N 2 0 290.358 -0.230 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)C1 ZINC001263212184 826753748 /nfs/dbraw/zinc/75/37/48/826753748.db2.gz MDRKSYSECRVCNY-MRVWCRGKSA-N 2 0 267.373 -0.312 20 0 CBADRP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCNCC[NH2+]CC1 ZINC001263211586 826753897 /nfs/dbraw/zinc/75/38/97/826753897.db2.gz WKGGQZLMXYJLBL-HNNXBMFYSA-N 2 0 288.395 -0.105 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)C1 ZINC001263211708 826753960 /nfs/dbraw/zinc/75/39/60/826753960.db2.gz AOMGQRJYUDBKRO-RAIGVLPGSA-N 2 0 253.346 -0.702 20 0 CBADRP O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CCNCC[NH2+]CC1 ZINC001263211587 826753963 /nfs/dbraw/zinc/75/39/63/826753963.db2.gz WKGGQZLMXYJLBL-OAHLLOKOSA-N 2 0 288.395 -0.105 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001263212521 826754075 /nfs/dbraw/zinc/75/40/75/826754075.db2.gz VIVGFTJXGKFYTD-BNOWGMLFSA-N 2 0 267.373 -0.169 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001263210935 826754245 /nfs/dbraw/zinc/75/42/45/826754245.db2.gz YXKWHFLQUCDCHZ-CYBMUJFWSA-N 2 0 268.405 -0.119 20 0 CBADRP C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[C@@H]1C[NH3+] ZINC001263214271 826755115 /nfs/dbraw/zinc/75/51/15/826755115.db2.gz NDXXGKCJPQLLRH-OPDFLTKYSA-N 2 0 267.373 -0.334 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NC2(C3CC[NH2+]CC3)CC2)=NO1 ZINC001263247042 826757202 /nfs/dbraw/zinc/75/72/02/826757202.db2.gz JFTRHIGLXGUDRP-JTQLQIEISA-N 2 0 266.345 -0.262 20 0 CBADRP CN1CCN(C(=O)CCC2C[NH2+]C2)CC[N@H+](C)CC1 ZINC001263245727 826757511 /nfs/dbraw/zinc/75/75/11/826757511.db2.gz SCXDJRHBOYWVPK-UHFFFAOYSA-N 2 0 268.405 -0.308 20 0 CBADRP CN1CCN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC[N@H+](C)CC1 ZINC001263245681 826757741 /nfs/dbraw/zinc/75/77/41/826757741.db2.gz QVEKZMNYQKUFRO-HZSPNIEDSA-N 2 0 280.416 -0.452 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)CCSCCC[NH3+] ZINC001263261232 826759833 /nfs/dbraw/zinc/75/98/33/826759833.db2.gz XWYFRIPFTVUBAW-LLVKDONJSA-N 2 0 275.418 -0.095 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC001263261091 826759973 /nfs/dbraw/zinc/75/99/73/826759973.db2.gz UJMLRVIRYVPFAC-UTUOFQBUSA-N 2 0 255.362 -0.321 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)C1(C[NH3+])CC(O)C1 ZINC001263274777 826761062 /nfs/dbraw/zinc/76/10/62/826761062.db2.gz LAHILPYXYZRFSR-XSRFYTQQSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1C[NH2+]CC12CC2 ZINC001263324623 826763903 /nfs/dbraw/zinc/76/39/03/826763903.db2.gz YLWPWGPTMDRMID-GRYCIOLGSA-N 2 0 264.373 -0.757 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CC[N@@H+]3CC[C@H]2C3)C1=O ZINC001263330191 826764867 /nfs/dbraw/zinc/76/48/67/826764867.db2.gz DAHVCGPWGOJGLG-NWDGAFQWSA-N 2 0 280.372 -0.900 20 0 CBADRP COC[C@H](O)C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001264970293 826823398 /nfs/dbraw/zinc/82/33/98/826823398.db2.gz ATGZXQOZUBGFMF-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001264970296 826823869 /nfs/dbraw/zinc/82/38/69/826823869.db2.gz ATGZXQOZUBGFMF-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP COC[C@H](O)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001264970294 826823962 /nfs/dbraw/zinc/82/39/62/826823962.db2.gz ATGZXQOZUBGFMF-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP C[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CC(N)=O ZINC001265000701 826829172 /nfs/dbraw/zinc/82/91/72/826829172.db2.gz BFWPLKYWTRPTLQ-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)CC(N)=O ZINC001265001046 826829402 /nfs/dbraw/zinc/82/94/02/826829402.db2.gz MSOKPUAIOMQOEZ-UHFFFAOYSA-N 2 0 296.415 -0.214 20 0 CBADRP CNC(=O)C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001265156315 826852762 /nfs/dbraw/zinc/85/27/62/826852762.db2.gz VMRLIVUIOJBLOK-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001265318989 826882367 /nfs/dbraw/zinc/88/23/67/826882367.db2.gz GPESSXUWNXXOST-NWDGAFQWSA-N 2 0 257.378 -0.102 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@@H]([NH2+]CCO)C2CC2)CCC1 ZINC001265358540 826883843 /nfs/dbraw/zinc/88/38/43/826883843.db2.gz LKVNYVQNWPRGNU-GFCCVEGCSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001265445102 826894611 /nfs/dbraw/zinc/89/46/11/826894611.db2.gz GEOXVOGNBDBABJ-ZJUUUORDSA-N 2 0 256.350 -0.998 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCOCCO)C2)C1 ZINC001265507196 826899623 /nfs/dbraw/zinc/89/96/23/826899623.db2.gz HDAAPGUUDWQMEU-AVGNSLFASA-N 2 0 285.388 -0.816 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCOCCO)C2)C1 ZINC001265507200 826900687 /nfs/dbraw/zinc/90/06/87/826900687.db2.gz HDAAPGUUDWQMEU-JHJVBQTASA-N 2 0 285.388 -0.816 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCO)C1 ZINC001265551752 826903279 /nfs/dbraw/zinc/90/32/79/826903279.db2.gz KKXWALSSABCASZ-GRYCIOLGSA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCOCCO ZINC001265790662 826919359 /nfs/dbraw/zinc/91/93/59/826919359.db2.gz QERYOEPHVCIKEQ-STQMWFEESA-N 2 0 287.404 -0.426 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC001265849394 826928679 /nfs/dbraw/zinc/92/86/79/826928679.db2.gz WOFMXJFWYLUFKW-NXEZZACHSA-N 2 0 258.366 -0.704 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H](C)C(N)=O ZINC001265851622 826928949 /nfs/dbraw/zinc/92/89/49/826928949.db2.gz QCHMKRIXBLNSLG-NXEZZACHSA-N 2 0 268.361 -0.950 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC001265852563 826930858 /nfs/dbraw/zinc/93/08/58/826930858.db2.gz FVYHGDLXTFBUIH-NXEZZACHSA-N 2 0 258.366 -0.704 20 0 CBADRP CN(C)C(=O)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001265971753 826944189 /nfs/dbraw/zinc/94/41/89/826944189.db2.gz ZFJCYDBLXGVTHF-LBPRGKRZSA-N 2 0 284.404 -0.536 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001266012606 826947422 /nfs/dbraw/zinc/94/74/22/826947422.db2.gz GPWDQJBZWHDWHN-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP CC[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC(N)=O ZINC001266042916 826949010 /nfs/dbraw/zinc/94/90/10/826949010.db2.gz PUIHCEHGDQYIJJ-CYBMUJFWSA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001266037423 826949337 /nfs/dbraw/zinc/94/93/37/826949337.db2.gz RFGYXMKKPYEOKR-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H](C(N)=O)[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001266174776 826958490 /nfs/dbraw/zinc/95/84/90/826958490.db2.gz UFFSNIBRHRHEPC-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001266174778 826958629 /nfs/dbraw/zinc/95/86/29/826958629.db2.gz UFFSNIBRHRHEPC-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CCOCCO)C1 ZINC001266237428 826962420 /nfs/dbraw/zinc/96/24/20/826962420.db2.gz VUZROXDGJUAOCJ-ZDUSSCGKSA-N 2 0 287.404 -0.472 20 0 CBADRP O=C(NC[C@@H]([NH2+]CCO)C1CC1)C12CC[NH+](CC1)C2 ZINC001266438485 826999625 /nfs/dbraw/zinc/99/96/25/826999625.db2.gz AEMKARBAPJBXLF-GFCCVEGCSA-N 2 0 267.373 -0.441 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCO)C1)[NH+](C)C ZINC001266534170 827017086 /nfs/dbraw/zinc/01/70/86/827017086.db2.gz WIUFCGFWSLBTSN-RYUDHWBXSA-N 2 0 257.378 -0.243 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CC(=O)N(C)C)CC[N@@H+]1C ZINC001266706662 827056366 /nfs/dbraw/zinc/05/63/66/827056366.db2.gz YOCIKIIQROXMQL-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCCO)C1 ZINC001266735034 827061757 /nfs/dbraw/zinc/06/17/57/827061757.db2.gz GCOALWGVBKTHLS-TXEJJXNPSA-N 2 0 257.378 -0.054 20 0 CBADRP CN(CC[NH2+]CCn1cncn1)C(=O)CC[NH+](C)C ZINC001266827264 827071925 /nfs/dbraw/zinc/07/19/25/827071925.db2.gz PVAUUQGHLPTTGB-UHFFFAOYSA-N 2 0 268.365 -0.722 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC001266853814 827073872 /nfs/dbraw/zinc/07/38/72/827073872.db2.gz UJTCURXVYUIZSF-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21)[NH+](C)C ZINC001266902390 827079456 /nfs/dbraw/zinc/07/94/56/827079456.db2.gz UJVNNDZSASAFGX-KIJLLGNVSA-N 2 0 269.389 -0.246 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCCO ZINC001266939419 827093579 /nfs/dbraw/zinc/09/35/79/827093579.db2.gz HOPYHQHYRXOFQX-YPMHNXCESA-N 2 0 269.389 -0.195 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267072427 827112784 /nfs/dbraw/zinc/11/27/84/827112784.db2.gz ZRRCUSCRSWCSSD-LBPRGKRZSA-N 2 0 284.404 -0.536 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCO ZINC001267159501 827118848 /nfs/dbraw/zinc/11/88/48/827118848.db2.gz ZBYGTMGXAQCISK-NEPJUHHUSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H](O)C[NH2+][C@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001267158544 827119381 /nfs/dbraw/zinc/11/93/81/827119381.db2.gz SBWPKPNOQFKIQB-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C[C@@H](C)O ZINC001267238983 827134648 /nfs/dbraw/zinc/13/46/48/827134648.db2.gz WLNWCSHTDVEJHG-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267375226 827162028 /nfs/dbraw/zinc/16/20/28/827162028.db2.gz ZXTCUBICCTXGMV-IJLUTSLNSA-N 2 0 257.378 -0.245 20 0 CBADRP CN(CC[NH2+]Cc1cncn1C)C(=O)CC[NH+](C)C ZINC001267424617 827169857 /nfs/dbraw/zinc/16/98/57/827169857.db2.gz WOHIQMCPKDVUJL-UHFFFAOYSA-N 2 0 267.377 -0.080 20 0 CBADRP CCN1CCO[C@@H](C(=O)N(C)CC[NH2+]C[C@@H](C)O)C1 ZINC001267471977 827175187 /nfs/dbraw/zinc/17/51/87/827175187.db2.gz YPBSWITUVCNANI-VXGBXAGGSA-N 2 0 273.377 -0.864 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](CC[NH2+]CC(N)=O)C2)C1 ZINC001267899709 827231462 /nfs/dbraw/zinc/23/14/62/827231462.db2.gz OFYCFEJXZLZOTJ-CHWSQXEVSA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@H](C[NH2+]CCN1CCCC1=O)N(C)C(=O)CC[NH+](C)C ZINC001268082206 827254497 /nfs/dbraw/zinc/25/44/97/827254497.db2.gz ARRRVHWXVOUGQU-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H](C[NH2+]CCn1cncn1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268099577 827258052 /nfs/dbraw/zinc/25/80/52/827258052.db2.gz GKWYXHLDIUELEM-STQMWFEESA-N 2 0 294.403 -0.334 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCCF ZINC001268297772 827281990 /nfs/dbraw/zinc/28/19/90/827281990.db2.gz LCLAFMZLYSMGNJ-MNOVXSKESA-N 2 0 261.341 -0.493 20 0 CBADRP CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268308308 827291630 /nfs/dbraw/zinc/29/16/30/827291630.db2.gz NYPRAJCDNRLSTL-CHWSQXEVSA-N 2 0 269.389 -0.195 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCOC2CCC2)C1 ZINC001268336515 827309964 /nfs/dbraw/zinc/30/99/64/827309964.db2.gz UOWSGZUGWPTKID-OLZOCXBDSA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@@H](CC[NH2+]Cc1cnnn1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268349372 827313151 /nfs/dbraw/zinc/31/31/51/827313151.db2.gz JRDNQKAHNVUYKU-AAEUAGOBSA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@@H](CC[NH2+]Cc1cnnn1C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268349374 827313672 /nfs/dbraw/zinc/31/36/72/827313672.db2.gz JRDNQKAHNVUYKU-WCQYABFASA-N 2 0 294.403 -0.106 20 0 CBADRP CCN(C)C(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268423207 827324460 /nfs/dbraw/zinc/32/44/60/827324460.db2.gz KNPAZWRVRZSETP-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(C)C(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001268574007 827366514 /nfs/dbraw/zinc/36/65/14/827366514.db2.gz HZTTZLWCBRFOBF-QMAVJUDZSA-N 2 0 282.388 -0.569 20 0 CBADRP C[C@H]([NH2+]C/C=C\CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001268581738 827371826 /nfs/dbraw/zinc/37/18/26/827371826.db2.gz JZUUBVFVYUHRBN-WYGGZMRJSA-N 2 0 282.388 -0.536 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]CCO)C1 ZINC001268590903 827372622 /nfs/dbraw/zinc/37/26/22/827372622.db2.gz KRKLVGFRYYTPHU-JDGPPOGSSA-N 2 0 255.362 -0.418 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]CCO)C1 ZINC001268590902 827374153 /nfs/dbraw/zinc/37/41/53/827374153.db2.gz KRKLVGFRYYTPHU-DLGQBQFBSA-N 2 0 255.362 -0.418 20 0 CBADRP C[C@@H]([NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001268595064 827375832 /nfs/dbraw/zinc/37/58/32/827375832.db2.gz GTLZPMVIKTYNKS-AAOUONPWSA-N 2 0 296.415 -0.146 20 0 CBADRP CC(C)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268628213 827382750 /nfs/dbraw/zinc/38/27/50/827382750.db2.gz ZQYOZJIMMIQQEH-MUBLQREKSA-N 2 0 296.415 -0.275 20 0 CBADRP C[C@@H](C[NH2+]CCO)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268700902 827406397 /nfs/dbraw/zinc/40/63/97/827406397.db2.gz MCOZDAJSMLGONY-SRVKXCTJSA-N 2 0 257.378 -0.197 20 0 CBADRP Cc1nc(C)n(CC[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001268699717 827406560 /nfs/dbraw/zinc/40/65/60/827406560.db2.gz AUWYNMINDZZHOP-NSHDSACASA-N 2 0 296.419 -0.059 20 0 CBADRP CN(CCC[NH2+]CC(N)=O)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001268800581 827423550 /nfs/dbraw/zinc/42/35/50/827423550.db2.gz PGEYDMWODLVRBH-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](O)C[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001268837860 827428803 /nfs/dbraw/zinc/42/88/03/827428803.db2.gz IVWNBRVEEBWIJR-NSHDSACASA-N 2 0 269.389 -0.101 20 0 CBADRP CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268946370 827442819 /nfs/dbraw/zinc/44/28/19/827442819.db2.gz NNPIKUUWTQMWFE-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP CN(CC(=O)N1CC2(C1)C[NH+](C1CCCC1)C2)C(N)=[NH2+] ZINC001268995877 827446170 /nfs/dbraw/zinc/44/61/70/827446170.db2.gz DNSWKMQBIYVRIX-UHFFFAOYSA-N 2 0 279.388 -0.102 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](C[C@@H](C)O)C1 ZINC001269078208 827461388 /nfs/dbraw/zinc/46/13/88/827461388.db2.gz CHTQKWCQDKRSGE-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCN1CCOCCO ZINC001269271771 827485905 /nfs/dbraw/zinc/48/59/05/827485905.db2.gz CXTJCDGKTQCSAU-KBPBESRZSA-N 2 0 299.415 -0.330 20 0 CBADRP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@@H+]1CCCO ZINC001269278394 827487779 /nfs/dbraw/zinc/48/77/79/827487779.db2.gz IECCTEAWNIEKRQ-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@@H+]2CCCO)CC1 ZINC001269278555 827487820 /nfs/dbraw/zinc/48/78/20/827487820.db2.gz KUTANOGIKYPKFQ-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCOCCO)CC1 ZINC001269469757 827512806 /nfs/dbraw/zinc/51/28/06/827512806.db2.gz XPNUNEQXXWOMCJ-GFCCVEGCSA-N 2 0 285.388 -0.672 20 0 CBADRP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCO ZINC001269472129 827513291 /nfs/dbraw/zinc/51/32/91/827513291.db2.gz VSULKBZFCOMGKC-RYUDHWBXSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCO)CC2)C1 ZINC001269489410 827514419 /nfs/dbraw/zinc/51/44/19/827514419.db2.gz PFYBOMKHHBDCNX-LLVKDONJSA-N 2 0 255.362 -0.441 20 0 CBADRP C[C@H](O)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001269522871 827516232 /nfs/dbraw/zinc/51/62/32/827516232.db2.gz UJUIITYNTJVKHT-NWDGAFQWSA-N 2 0 269.389 -0.053 20 0 CBADRP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CCO)C1)[NH+](C)C ZINC001270599754 827581630 /nfs/dbraw/zinc/58/16/30/827581630.db2.gz MSVZRXLPJIVCKW-DGCLKSJQSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)C[NH+]1CCCC1 ZINC001271210610 827677747 /nfs/dbraw/zinc/67/77/47/827677747.db2.gz YSGRJXDUVSUWNK-JTQLQIEISA-N 2 0 256.350 -0.996 20 0 CBADRP C[C@H](C[NH2+]CCO)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001271100271 827622770 /nfs/dbraw/zinc/62/27/70/827622770.db2.gz GUJFDMFEXPQEBR-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP CC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001271192398 827676685 /nfs/dbraw/zinc/67/66/85/827676685.db2.gz LUZZNEFIKSFKLO-TZMCWYRMSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+](C)CCN1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001271222732 827678427 /nfs/dbraw/zinc/67/84/27/827678427.db2.gz FDECBKALLADVSO-CYBMUJFWSA-N 2 0 280.416 -0.356 20 0 CBADRP CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001271996211 827748856 /nfs/dbraw/zinc/74/88/56/827748856.db2.gz JOBQJUVZWZOJBS-JSGCOSHPSA-N 2 0 269.389 -0.099 20 0 CBADRP CC(C)(C(=O)N(CCO)CC[NH2+]CCO)[NH+]1CCCC1 ZINC001272224629 827771244 /nfs/dbraw/zinc/77/12/44/827771244.db2.gz GMUWBHUWFGLGQD-UHFFFAOYSA-N 2 0 287.404 -0.736 20 0 CBADRP C[NH+](C)CCN1CC2(C1)CN(C(=O)C1([NH+](C)C)CC1)C2 ZINC001272307900 827779190 /nfs/dbraw/zinc/77/91/90/827779190.db2.gz IALLHGDMBWQIGF-UHFFFAOYSA-N 2 0 280.416 -0.214 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCOC1CCC1 ZINC001272381903 827790071 /nfs/dbraw/zinc/79/00/71/827790071.db2.gz XZVOEIJTOQZWEJ-JSGCOSHPSA-N 2 0 299.415 -0.284 20 0 CBADRP CCC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001272558750 827820273 /nfs/dbraw/zinc/82/02/73/827820273.db2.gz BFNCCDFCDPNMDX-RYUDHWBXSA-N 2 0 257.378 -0.195 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001272555621 827821264 /nfs/dbraw/zinc/82/12/64/827821264.db2.gz OLYDAYVUPVPOMX-XQQFMLRXSA-N 2 0 266.389 -0.463 20 0 CBADRP C[C@@H](CC[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001272689158 827834371 /nfs/dbraw/zinc/83/43/71/827834371.db2.gz YCFIXOLRRNDOCH-WDEREUQCSA-N 2 0 295.391 -0.711 20 0 CBADRP C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](O)C3)C2)C1 ZINC001273068804 827860094 /nfs/dbraw/zinc/86/00/94/827860094.db2.gz CAKCPPJRGAWNTH-LLVKDONJSA-N 2 0 253.346 -0.783 20 0 CBADRP C[NH+](C)CCN1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273108935 827865767 /nfs/dbraw/zinc/86/57/67/827865767.db2.gz WPMUHUWGSPXMSU-UHFFFAOYSA-N 2 0 284.404 -0.977 20 0 CBADRP C[C@H](CC[NH2+]CC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001273121789 827867953 /nfs/dbraw/zinc/86/79/53/827867953.db2.gz CKUVVFOGVASNSV-SNVBAGLBSA-N 2 0 268.361 -0.948 20 0 CBADRP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001273175970 827871786 /nfs/dbraw/zinc/87/17/86/827871786.db2.gz NLJXVRCDOCCIJG-QWRGUYRKSA-N 2 0 270.377 -0.832 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CCO)C1 ZINC001273276706 827881539 /nfs/dbraw/zinc/88/15/39/827881539.db2.gz LIYSITAIPUOCCR-QWHCGFSZSA-N 2 0 285.388 -0.720 20 0 CBADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](C)C2 ZINC001273516782 827906546 /nfs/dbraw/zinc/90/65/46/827906546.db2.gz FOBFOCGSIFQRAP-ZDUSSCGKSA-N 2 0 255.362 -0.271 20 0 CBADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](C)C2 ZINC001273516780 827906847 /nfs/dbraw/zinc/90/68/47/827906847.db2.gz FOBFOCGSIFQRAP-CYBMUJFWSA-N 2 0 255.362 -0.271 20 0 CBADRP CCN(CC[NH2+]CCO)C(=O)C1CC[NH+](C)CC1 ZINC001273588693 827913340 /nfs/dbraw/zinc/91/33/40/827913340.db2.gz SZYREIUANYABBM-UHFFFAOYSA-N 2 0 257.378 -0.241 20 0 CBADRP CCN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001273652927 827915514 /nfs/dbraw/zinc/91/55/14/827915514.db2.gz JTAWHRYRRIVJJF-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP CC(=O)NCC[N@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273999483 827950780 /nfs/dbraw/zinc/95/07/80/827950780.db2.gz LHQGMNFVUJYUFD-OAHLLOKOSA-N 2 0 296.415 -0.392 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001274047835 827955589 /nfs/dbraw/zinc/95/55/89/827955589.db2.gz UFBDSKQIIHGNCU-JHJVBQTASA-N 2 0 269.389 -0.006 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274047910 827955654 /nfs/dbraw/zinc/95/56/54/827955654.db2.gz VNFSWHPOMZBZRE-GXTWGEPZSA-N 2 0 285.388 -0.768 20 0 CBADRP CNC(=O)C[NH+]1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001274072649 827964709 /nfs/dbraw/zinc/96/47/09/827964709.db2.gz GAOCCTMLECWNGL-LBPRGKRZSA-N 2 0 296.415 -0.488 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001274072877 827965240 /nfs/dbraw/zinc/96/52/40/827965240.db2.gz IGIAURFXZDUUJC-VXGBXAGGSA-N 2 0 282.388 -0.641 20 0 CBADRP CC[C@@H](C(=O)NC/C=C/C[NH2+][C@@H](C)C(=O)NC)[NH+](C)C ZINC001274367684 827985224 /nfs/dbraw/zinc/98/52/24/827985224.db2.gz DTEOXWFJALYGEL-BRQSLIGTSA-N 2 0 284.404 -0.277 20 0 CBADRP CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001274368899 827986152 /nfs/dbraw/zinc/98/61/52/827986152.db2.gz NPFKIQKHLASGDJ-FWWRYZNZSA-N 2 0 294.403 -0.083 20 0 CBADRP CC[C@H]([NH2+]C/C=C\CNC(=O)Cc1c[nH]cn1)C(N)=O ZINC001274394865 827986161 /nfs/dbraw/zinc/98/61/61/827986161.db2.gz QEFAAFMOXJCINX-BYCRGOAPSA-N 2 0 279.344 -0.522 20 0 CBADRP CC[C@@H](C(=O)NC/C=C/C[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001274512437 827995780 /nfs/dbraw/zinc/99/57/80/827995780.db2.gz XXIKHELPLQFEGO-GFUIURDCSA-N 2 0 296.415 -0.179 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]CCCO)C1 ZINC001274579173 828003285 /nfs/dbraw/zinc/00/32/85/828003285.db2.gz RIUITQDCPPVVOR-ZZKXABKFSA-N 2 0 255.362 -0.418 20 0 CBADRP CNC(=O)C[NH2+]C/C=C/CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001274609302 828012307 /nfs/dbraw/zinc/01/23/07/828012307.db2.gz JYUSMTFFKOYUGJ-IJWDBEHRSA-N 2 0 296.415 -0.133 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001275203760 828067348 /nfs/dbraw/zinc/06/73/48/828067348.db2.gz XDSMRRZDIBHJEE-LPEHRKFASA-N 2 0 258.366 -0.705 20 0 CBADRP C[C@@H](C[NH2+]CCCO)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001275406614 828084848 /nfs/dbraw/zinc/08/48/48/828084848.db2.gz OUBCKAIFMJHUIP-NWDGAFQWSA-N 2 0 257.378 -0.195 20 0 CBADRP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C)CC3)[C@H]2C1 ZINC001275047260 828051360 /nfs/dbraw/zinc/05/13/60/828051360.db2.gz RZNUBROYJUQPOI-STQMWFEESA-N 2 0 280.416 -0.310 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCO)C1 ZINC001275054343 828051419 /nfs/dbraw/zinc/05/14/19/828051419.db2.gz OVAVFJIWLXWVGQ-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](C[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001275188192 828063947 /nfs/dbraw/zinc/06/39/47/828063947.db2.gz NDRNAUXDEXMHBM-MELADBBJSA-N 2 0 280.416 -0.167 20 0 CBADRP C[C@@H](C[N@H+](C)CCO)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001275623681 828104545 /nfs/dbraw/zinc/10/45/45/828104545.db2.gz YJXOXWWNIVMGDA-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCCO ZINC001275793855 828115617 /nfs/dbraw/zinc/11/56/17/828115617.db2.gz WFPIITALIVBKSO-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CCN1CCO[C@H]2CN(Cc3cccnn3)C[C@@H]21 ZINC001275878918 828119828 /nfs/dbraw/zinc/11/98/28/828119828.db2.gz WGSXKOIBLHHHRF-GJZGRUSLSA-N 2 0 291.399 -0.077 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)CC(N)=O ZINC001275969390 828125930 /nfs/dbraw/zinc/12/59/30/828125930.db2.gz CAISLQZINQDRGA-SNVBAGLBSA-N 2 0 258.366 -0.750 20 0 CBADRP CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001276076411 828133194 /nfs/dbraw/zinc/13/31/94/828133194.db2.gz OWPFJQVPMZYZTC-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CCN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001276463184 828147092 /nfs/dbraw/zinc/14/70/92/828147092.db2.gz DENHLCFHJOIAKP-STQMWFEESA-N 2 0 280.416 -0.310 20 0 CBADRP O=C(N[C@@H](C[NH2+]CCO)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001276588503 828151846 /nfs/dbraw/zinc/15/18/46/828151846.db2.gz IKTUGZAHUGKBEI-KBPBESRZSA-N 2 0 281.400 -0.195 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001276642613 828153861 /nfs/dbraw/zinc/15/38/61/828153861.db2.gz QJLIERVXXITBNN-WDEREUQCSA-N 2 0 268.361 -0.950 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1CCCO ZINC001276963921 828168858 /nfs/dbraw/zinc/16/88/58/828168858.db2.gz NVEUVJZVNIPFIW-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP CCOCC[NH2+]C1(CNC(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001277252590 828180930 /nfs/dbraw/zinc/18/09/30/828180930.db2.gz LQSJHPXQAVQGNW-CYBMUJFWSA-N 2 0 299.415 -0.018 20 0 CBADRP C[C@@H](CCC[NH2+]CC(N)=O)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001277299120 828182017 /nfs/dbraw/zinc/18/20/17/828182017.db2.gz MJNACKCGTNLZPG-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH+](C)CCNC(=S)N1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001277452527 828188106 /nfs/dbraw/zinc/18/81/06/828188106.db2.gz UVJBJIUEAMDMGR-UHFFFAOYSA-N 2 0 299.488 -0.398 20 0 CBADRP CCOCC[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277859567 828214733 /nfs/dbraw/zinc/21/47/33/828214733.db2.gz ZOGYPFLKCPHZPN-KBPBESRZSA-N 2 0 271.405 -0.031 20 0 CBADRP COC(=O)CC[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277872697 828215688 /nfs/dbraw/zinc/21/56/88/828215688.db2.gz YGKCDERARSDAAQ-STQMWFEESA-N 2 0 285.388 -0.504 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001277959940 828222751 /nfs/dbraw/zinc/22/27/51/828222751.db2.gz DETKVXCQMXFOPY-RWMBFGLXSA-N 2 0 257.378 -0.686 20 0 CBADRP C[C@H](O)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277961036 828223692 /nfs/dbraw/zinc/22/36/92/828223692.db2.gz PZJDDUXAZNFNES-XQQFMLRXSA-N 2 0 257.378 -0.686 20 0 CBADRP NC(=O)C[NH+]1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001277982149 828226580 /nfs/dbraw/zinc/22/65/80/828226580.db2.gz URHHYMVTWAEMHI-UHFFFAOYSA-N 2 0 277.372 -0.234 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@]12CC[C@@]([NH2+]CC(N)=O)(C1)CCC2 ZINC001277982193 828226696 /nfs/dbraw/zinc/22/66/96/828226696.db2.gz VCMSFKCJZVJWGT-KGLIPLIRSA-N 2 0 282.388 -0.416 20 0 CBADRP CNC(=O)C[NH2+][C@@]12CC[C@@]([NH2+]CC(=O)N(C)C)(C1)CCC2 ZINC001278011655 828230448 /nfs/dbraw/zinc/23/04/48/828230448.db2.gz XTUIMFFHIPVDFY-LSDHHAIUSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001278077312 828241898 /nfs/dbraw/zinc/24/18/98/828241898.db2.gz IFWIYAYRYQOYGZ-VXGBXAGGSA-N 2 0 257.378 -0.054 20 0 CBADRP CC[NH+]1CCC(C[N@H+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)CC1 ZINC001278134572 828250614 /nfs/dbraw/zinc/25/06/14/828250614.db2.gz QXWSMQUVDGWGEI-NWDGAFQWSA-N 2 0 280.372 -0.110 20 0 CBADRP COCCC[NH2+][C@@H](CO)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001278186287 828256781 /nfs/dbraw/zinc/25/67/81/828256781.db2.gz BZRSDJFGDYGKRT-HIFRSBDPSA-N 2 0 299.415 -0.425 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CCOCCO)CN1C(=O)C[NH+]1CCCC1 ZINC001278423193 828269947 /nfs/dbraw/zinc/26/99/47/828269947.db2.gz IHFPULJVUJPKHF-UONOGXRCSA-N 2 0 299.415 -0.330 20 0 CBADRP COCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001278755367 828282636 /nfs/dbraw/zinc/28/26/36/828282636.db2.gz FNQPRKTUXYFFJY-KGLIPLIRSA-N 2 0 299.415 -0.617 20 0 CBADRP CCC[NH2+]C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001278827976 828292935 /nfs/dbraw/zinc/29/29/35/828292935.db2.gz RONMDGZCOBMAOL-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001348082908 890558427 /nfs/dbraw/zinc/55/84/27/890558427.db2.gz NMMUPNBUMOPOIR-ZDUSSCGKSA-N 2 0 298.431 -0.193 20 0 CBADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC2(CCNC2=O)CC1 ZINC001348814162 890705112 /nfs/dbraw/zinc/70/51/12/890705112.db2.gz CVYGMJBFWCCMBH-LBPRGKRZSA-N 2 0 255.362 -0.441 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001350396597 890977056 /nfs/dbraw/zinc/97/70/56/890977056.db2.gz DPPGPQLHQBRRLZ-BDAKNGLRSA-N 2 0 266.349 -0.332 20 0 CBADRP [NH3+]C1CCN(Cc2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC001350684273 891022286 /nfs/dbraw/zinc/02/22/86/891022286.db2.gz GTICDOOIODGCTE-GFCCVEGCSA-N 2 0 250.350 -0.264 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001351543911 891152279 /nfs/dbraw/zinc/15/22/79/891152279.db2.gz CSJCXNHYMXZOIM-QJPTWQEYSA-N 2 0 284.404 -0.219 20 0 CBADRP CN1CC[NH+](CC2CCN(C(=O)C[NH3+])CC2)CC1 ZINC001326307467 884982269 /nfs/dbraw/zinc/98/22/69/884982269.db2.gz ZJPYTSWJZFTQNT-UHFFFAOYSA-N 2 0 254.378 -0.569 20 0 CBADRP CC(C)([NH3+])c1noc(CN2CCO[C@@H](C[NH3+])C2)n1 ZINC001326310505 884985571 /nfs/dbraw/zinc/98/55/71/884985571.db2.gz XJORURFTYYTYOI-QMMMGPOBSA-N 2 0 255.322 -0.577 20 0 CBADRP NC(=O)CC[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC001326583391 885073946 /nfs/dbraw/zinc/07/39/46/885073946.db2.gz IIXOJGZSTWVBQI-CYBMUJFWSA-N 2 0 268.405 -0.131 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001327056517 885237482 /nfs/dbraw/zinc/23/74/82/885237482.db2.gz SZDJELPFPUNJKD-UWVGGRQHSA-N 2 0 270.377 -0.561 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)c1cn(CCCC[NH3+])nn1 ZINC001327074201 885245679 /nfs/dbraw/zinc/24/56/79/885245679.db2.gz WJJBCIMLSYJLGK-SNVBAGLBSA-N 2 0 268.365 -0.255 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CCO)CCOCC1 ZINC001327621836 885431321 /nfs/dbraw/zinc/43/13/21/885431321.db2.gz LSDKJSCWSIRADL-GFCCVEGCSA-N 2 0 285.388 -0.672 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC3(C2)CC[NH2+]CC3)=NO1 ZINC001327928348 885531736 /nfs/dbraw/zinc/53/17/36/885531736.db2.gz LJNDBELWXWPJFG-JTQLQIEISA-N 2 0 266.345 -0.308 20 0 CBADRP O[C@@H]1CCC[C@@H]1[NH+]1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC001328438520 885687439 /nfs/dbraw/zinc/68/74/39/885687439.db2.gz ZTUJOXHHXHTDGR-HZSPNIEDSA-N 2 0 269.389 -0.494 20 0 CBADRP CC[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@H]1CCOC1 ZINC001328490105 885705686 /nfs/dbraw/zinc/70/56/86/885705686.db2.gz IBGHVDMRDSHOAQ-GFCCVEGCSA-N 2 0 255.362 -0.223 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](C[NH3+])C2)C1 ZINC001329429064 886064466 /nfs/dbraw/zinc/06/44/66/886064466.db2.gz YOFFLTMRUBWRMM-NEPJUHHUSA-N 2 0 254.378 -0.536 20 0 CBADRP C[NH2+]C[C@H]1CCN(C(=O)C2(OC)CC[NH2+]CC2)C1 ZINC001329483625 886088945 /nfs/dbraw/zinc/08/89/45/886088945.db2.gz MJBCGUBINDQDFX-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP [NH3+]C[C@H]1CN(CCN2CC[NH2+]CC2)C[C@@H]1C(F)(F)F ZINC001329702335 886181857 /nfs/dbraw/zinc/18/18/57/886181857.db2.gz PABXPKCQKWQBTI-QWRGUYRKSA-N 2 0 280.338 -0.039 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC001329760624 886199132 /nfs/dbraw/zinc/19/91/32/886199132.db2.gz SFFXLGJJRMSHOO-CYBMUJFWSA-N 2 0 285.388 -0.408 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001330024515 886332573 /nfs/dbraw/zinc/33/25/73/886332573.db2.gz RFTDWLJVOICEBO-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC001330595663 886496694 /nfs/dbraw/zinc/49/66/94/886496694.db2.gz CKKGORBAZJDZPC-WCQYABFASA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC001331320781 886777236 /nfs/dbraw/zinc/77/72/36/886777236.db2.gz XSALKNAFPOVKLP-GARJFASQSA-N 2 0 282.388 -0.419 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC001331378296 886787441 /nfs/dbraw/zinc/78/74/41/886787441.db2.gz MBYRUGYQPBNQGU-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC1CCC1 ZINC001331687036 886907498 /nfs/dbraw/zinc/90/74/98/886907498.db2.gz YLCVLFIYOHCPRE-OLZOCXBDSA-N 2 0 269.389 -0.053 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC1CCC1 ZINC001331687037 886907790 /nfs/dbraw/zinc/90/77/90/886907790.db2.gz YLCVLFIYOHCPRE-QWHCGFSZSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001331708674 886923915 /nfs/dbraw/zinc/92/39/15/886923915.db2.gz WLHHIFYNNIXHPW-XLFHBGCDSA-N 2 0 261.391 -0.802 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001331957189 887062247 /nfs/dbraw/zinc/06/22/47/887062247.db2.gz IOFKISLIDYXLLJ-NSHDSACASA-N 2 0 272.393 -0.362 20 0 CBADRP COC1(C(=O)N2CCC(C[NH3+])CC2)CC[NH2+]CC1 ZINC001332145258 887129449 /nfs/dbraw/zinc/12/94/49/887129449.db2.gz POWPJGVEMHIQQH-UHFFFAOYSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001332203338 887148888 /nfs/dbraw/zinc/14/88/88/887148888.db2.gz PGWMJDBQRCEBBH-DTWKUNHWSA-N 2 0 252.322 -0.720 20 0 CBADRP NS(=O)(=O)C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001332334568 887207820 /nfs/dbraw/zinc/20/78/20/887207820.db2.gz MJUASWFFBWMHCB-NSHDSACASA-N 2 0 261.391 -0.404 20 0 CBADRP [NH3+][C@H](CC(F)F)C(=O)NCCCN1CC[NH2+]CC1 ZINC001332393492 887256775 /nfs/dbraw/zinc/25/67/75/887256775.db2.gz HZPBWCUNKANENP-SECBINFHSA-N 2 0 264.320 -0.620 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC001332393483 887257301 /nfs/dbraw/zinc/25/73/01/887257301.db2.gz HOGDAUKICNAWMI-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP C1C[NH2+][C@@H](c2noc([C@]34C[NH2+]C[C@H]3COC4)n2)C1 ZINC001332537885 887344653 /nfs/dbraw/zinc/34/46/53/887344653.db2.gz HIUHVJJJYFJZLI-SBMIAAHKSA-N 2 0 250.302 -0.019 20 0 CBADRP COCCNC(=[NH2+])NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC001333039660 887508821 /nfs/dbraw/zinc/50/88/21/887508821.db2.gz GPFFOGBSSNNECK-UHFFFAOYSA-N 2 0 299.419 -0.276 20 0 CBADRP CC[N@@H+]1CCC[C@@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC001333636403 887728036 /nfs/dbraw/zinc/72/80/36/887728036.db2.gz QXVUAYVJUSGPDM-WDEREUQCSA-N 2 0 268.361 -0.062 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCCC[NH3+])CC[C@H]21 ZINC001333957524 887817601 /nfs/dbraw/zinc/81/76/01/887817601.db2.gz CEJQQJUZVYRTOM-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP NS(=O)(=O)C[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC001334337781 887924885 /nfs/dbraw/zinc/92/48/85/887924885.db2.gz KQJGHNUULPXFIX-WDEREUQCSA-N 2 0 261.391 -0.404 20 0 CBADRP [NH3+][C@H]1C[C@@H](C[NH2+]CC[C@H]2CNCCS2(=O)=O)C1 ZINC001335289552 888486016 /nfs/dbraw/zinc/48/60/16/888486016.db2.gz OMPISZPYZRQVAG-AXFHLTTASA-N 2 0 261.391 -0.910 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1CCNCC[NH2+]CC1 ZINC001336950399 888930260 /nfs/dbraw/zinc/93/02/60/888930260.db2.gz HHZUVMAFWRSWJC-NEPJUHHUSA-N 2 0 269.393 -0.954 20 0 CBADRP CCO[C@@H]1CN(C(=O)NCC2([NH3+])CC2)C[C@H]1C[NH3+] ZINC001336972971 888936242 /nfs/dbraw/zinc/93/62/42/888936242.db2.gz GRPRQNRSIUISNP-NXEZZACHSA-N 2 0 256.350 -0.517 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001336920121 888923554 /nfs/dbraw/zinc/92/35/54/888923554.db2.gz AZZSPZMEYYSNAE-UWVGGRQHSA-N 2 0 258.366 -0.129 20 0 CBADRP CN(CC[NH3+])C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001336981284 888939387 /nfs/dbraw/zinc/93/93/87/888939387.db2.gz NOQDIYRQZYSTML-UHFFFAOYSA-N 2 0 271.409 -0.338 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001337455356 889013880 /nfs/dbraw/zinc/01/38/80/889013880.db2.gz KRINIKNHUAMXSH-TXEJJXNPSA-N 2 0 284.404 -0.312 20 0 CBADRP CN(C)Cc1csc(CNC(=O)C(=O)N(C)CC[NH3+])n1 ZINC001338330960 889143411 /nfs/dbraw/zinc/14/34/11/889143411.db2.gz YCGOBGVLMXDQAI-UHFFFAOYSA-N 2 0 299.400 -0.762 20 0 CBADRP [NH3+]CCNCC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001340042014 889369142 /nfs/dbraw/zinc/36/91/42/889369142.db2.gz RZPDJASPVUGNDC-UHFFFAOYSA-N 2 0 254.378 -0.475 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C1(C[NH3+])CC(O)C1 ZINC001340139552 889395129 /nfs/dbraw/zinc/39/51/29/889395129.db2.gz KQFDPSQHLSGLQH-UHFFFAOYSA-N 2 0 257.378 -0.066 20 0 CBADRP [NH3+][C@H](CNC(=O)[C@@H]1[NH2+]CC12CCOCC2)C1CC1 ZINC001340528981 889442179 /nfs/dbraw/zinc/44/21/79/889442179.db2.gz IJOLJAFTOYSEOY-MNOVXSKESA-N 2 0 253.346 -0.392 20 0 CBADRP C[C@@]1(C(=O)N2CCC(CC[NH3+])CC2)C[C@@H](O)C[NH2+]1 ZINC001340684482 889464006 /nfs/dbraw/zinc/46/40/06/889464006.db2.gz JNNOYFWOKTVMPG-YPMHNXCESA-N 2 0 255.362 -0.313 20 0 CBADRP COC[C@H]([NH3+])C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001340843641 889496255 /nfs/dbraw/zinc/49/62/55/889496255.db2.gz JGYGOXWZALGAGW-VIFPVBQESA-N 2 0 255.322 -0.643 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC001340891621 889506009 /nfs/dbraw/zinc/50/60/09/889506009.db2.gz BAGNPTIOYPLEKM-DJIHRAIXSA-N 2 0 269.389 -0.198 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001340941381 889519241 /nfs/dbraw/zinc/51/92/41/889519241.db2.gz SRJZOBWRUGXNMS-NQBHXWOUSA-N 2 0 252.362 -0.709 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC001340977448 889527049 /nfs/dbraw/zinc/52/70/49/889527049.db2.gz IDEKQSPSERGBFM-BDAKNGLRSA-N 2 0 257.334 -0.537 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001341010163 889534091 /nfs/dbraw/zinc/53/40/91/889534091.db2.gz FYENBFNCOHDIDT-BLFANLJRSA-N 2 0 255.362 -0.275 20 0 CBADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCNCC[NH2+]CC1 ZINC001341100256 889541383 /nfs/dbraw/zinc/54/13/83/889541383.db2.gz UJUOVLJORDIYTD-LBPRGKRZSA-N 2 0 256.394 -0.229 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)CN1CC[NH2+]CC1 ZINC001341143267 889548997 /nfs/dbraw/zinc/54/89/97/889548997.db2.gz DXVNJBLPKATUHL-GRYCIOLGSA-N 2 0 254.378 -0.511 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC001341346696 889579277 /nfs/dbraw/zinc/57/92/77/889579277.db2.gz ITURAATXNFNMJH-MNOVXSKESA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CC[N@@H+]1C ZINC001341369426 889582854 /nfs/dbraw/zinc/58/28/54/889582854.db2.gz SFFOPDRJHZSCDW-GMTAPVOTSA-N 2 0 253.346 -0.426 20 0 CBADRP [NH3+][C@H](CC(=O)N1CCC[C@H]([NH2+]CCO)C1)C1CC1 ZINC001341477026 889604735 /nfs/dbraw/zinc/60/47/35/889604735.db2.gz JSNKJGFPKGSKIE-NWDGAFQWSA-N 2 0 255.362 -0.313 20 0 CBADRP [NH3+][C@H](CC(=O)N[C@@H]1C[NH2+]C[C@@H]1O)Cc1ccccc1 ZINC001341423509 889595322 /nfs/dbraw/zinc/59/53/22/889595322.db2.gz FCQBVLYHXBHFDB-XQQFMLRXSA-N 2 0 263.341 -0.605 20 0 CBADRP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[NH2+]C[C@H]1O ZINC001341425367 889595332 /nfs/dbraw/zinc/59/53/32/889595332.db2.gz RBHNZFPDWNXEMR-NWDGAFQWSA-N 2 0 255.362 -0.299 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC001341464997 889600555 /nfs/dbraw/zinc/60/05/55/889600555.db2.gz JEYDIQBPFHBBFK-UHXUPSOCSA-N 2 0 267.373 -0.049 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001341572411 889627108 /nfs/dbraw/zinc/62/71/08/889627108.db2.gz DSAHRXQQOSBDIC-RNJOBUHISA-N 2 0 267.373 -0.321 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001341664944 889642971 /nfs/dbraw/zinc/64/29/71/889642971.db2.gz HRQDVBKLYIGKMQ-BXUZGUMPSA-N 2 0 282.388 -0.619 20 0 CBADRP C[NH2+]C1CC(C(=O)NCCN2CCO[C@H](C)C2)C1 ZINC001341677037 889645135 /nfs/dbraw/zinc/64/51/35/889645135.db2.gz IKWBILDYAOYVTK-VOMCLLRMSA-N 2 0 255.362 -0.179 20 0 CBADRP CC(C)(C[NH3+])CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001341674758 889645960 /nfs/dbraw/zinc/64/59/60/889645960.db2.gz MXOWRNFGOGQVJU-LBPRGKRZSA-N 2 0 268.405 -0.133 20 0 CBADRP CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC001341672297 889646074 /nfs/dbraw/zinc/64/60/74/889646074.db2.gz CUYOETAQIMEBDM-CHWSQXEVSA-N 2 0 268.405 -0.262 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC001341748009 889656913 /nfs/dbraw/zinc/65/69/13/889656913.db2.gz LNIQULPPSSRTQV-QWRGUYRKSA-N 2 0 257.378 -0.291 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001341763554 889660786 /nfs/dbraw/zinc/66/07/86/889660786.db2.gz FERKXJMUGONKQX-GRYCIOLGSA-N 2 0 254.378 -0.511 20 0 CBADRP CC[C@@H]1CN(C(=O)C2(C[NH3+])CC(O)C2)CC[C@@H]1[NH3+] ZINC001341769085 889660871 /nfs/dbraw/zinc/66/08/71/889660871.db2.gz ZNNVTMVYDLIEQK-JJOYANBFSA-N 2 0 255.362 -0.328 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@]([NH3+])(CO)C2)CC[N@@H+]1C ZINC001341856290 889675596 /nfs/dbraw/zinc/67/55/96/889675596.db2.gz BMFBCOPVMUGVIA-NQBHXWOUSA-N 2 0 255.362 -0.361 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001341940426 889686603 /nfs/dbraw/zinc/68/66/03/889686603.db2.gz IPKJESGEDZVFGU-GRYCIOLGSA-N 2 0 256.394 -0.265 20 0 CBADRP C[C@H](NC(=O)[C@H]1CCC[NH2+]1)[C@@H]1C[N@H+](C)CCN1C ZINC001341940622 889686649 /nfs/dbraw/zinc/68/66/49/889686649.db2.gz OBQLAUZNPILTOB-TUAOUCFPSA-N 2 0 254.378 -0.511 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001342111105 889711286 /nfs/dbraw/zinc/71/12/86/889711286.db2.gz IWTFKHGICLXXNJ-CWSCBRNRSA-N 2 0 253.346 -0.663 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@H]1C[NH2+]CC12CC2 ZINC001342097489 889712190 /nfs/dbraw/zinc/71/21/90/889712190.db2.gz FOKKOLBVOQPLNK-MNOVXSKESA-N 2 0 253.346 -0.377 20 0 CBADRP COC1(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001342113299 889715032 /nfs/dbraw/zinc/71/50/32/889715032.db2.gz PHVYGDXKFGIFLY-JTQLQIEISA-N 2 0 269.345 -0.998 20 0 CBADRP C[NH2+][C@H](C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cnn(C)c1 ZINC001342128897 889717571 /nfs/dbraw/zinc/71/75/71/889717571.db2.gz JFYKJNLTRJQUON-WHOHXGKFSA-N 2 0 263.345 -0.643 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001342158337 889722177 /nfs/dbraw/zinc/72/21/77/889722177.db2.gz APXUFWLRVXHRGB-WOPDTQHZSA-N 2 0 282.388 -0.478 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001342158333 889722196 /nfs/dbraw/zinc/72/21/96/889722196.db2.gz APXUFWLRVXHRGB-GRYCIOLGSA-N 2 0 282.388 -0.478 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)c1cc2c(s1)CC[NH2+]C2 ZINC001342176012 889726277 /nfs/dbraw/zinc/72/62/77/889726277.db2.gz MOPIRBUSIYSGHR-DTWKUNHWSA-N 2 0 267.354 -0.544 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]C)CC[N@@H+]1C ZINC001342267079 889743627 /nfs/dbraw/zinc/74/36/27/889743627.db2.gz OAJPHINRPDMTKY-GRYCIOLGSA-N 2 0 257.378 -0.245 20 0 CBADRP C[NH+]1CCC(OCC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001342393188 889767730 /nfs/dbraw/zinc/76/77/30/889767730.db2.gz UKNBQTUAJOADKG-PHIMTYICSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]1[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)CC[N@@H+]1C ZINC001342569260 889792727 /nfs/dbraw/zinc/79/27/27/889792727.db2.gz IQYGXKNCZSVHSQ-UWVGGRQHSA-N 2 0 266.349 -0.551 20 0 CBADRP CC1(C)CN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)C[C@H]1[NH3+] ZINC001342575568 889796083 /nfs/dbraw/zinc/79/60/83/889796083.db2.gz WKCMWQVAVIOUGS-MNOVXSKESA-N 2 0 267.373 -0.049 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC001342991253 889852350 /nfs/dbraw/zinc/85/23/50/889852350.db2.gz AEEFHUBDRLTJIA-VXGBXAGGSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC001343038676 889858553 /nfs/dbraw/zinc/85/85/53/889858553.db2.gz RHIFSLVBECXDDJ-QCNOEVLYSA-N 2 0 257.378 -0.211 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001343036930 889859968 /nfs/dbraw/zinc/85/99/68/889859968.db2.gz ISQMARFVRWDJAK-JHJVBQTASA-N 2 0 268.405 -0.136 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC001343055397 889862318 /nfs/dbraw/zinc/86/23/18/889862318.db2.gz OFFHABOOWWZRNK-SNVBAGLBSA-N 2 0 268.361 -0.062 20 0 CBADRP [NH3+][C@@H]1C[C@H](NC(=O)C[C@H]2COCC[NH2+]2)C12CCC2 ZINC001343203406 889876639 /nfs/dbraw/zinc/87/66/39/889876639.db2.gz YCSQKXRHNDSSFS-AXFHLTTASA-N 2 0 253.346 -0.249 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001343391023 889898198 /nfs/dbraw/zinc/89/81/98/889898198.db2.gz CLEXFHWVDRFSLZ-CQSZACIVSA-N 2 0 287.404 -0.425 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001343394436 889899393 /nfs/dbraw/zinc/89/93/93/889899393.db2.gz ZEMBQFDNPNOUBB-DGCLKSJQSA-N 2 0 255.362 -0.441 20 0 CBADRP C[C@@H](CNC(=O)C[C@@H](O)C[NH3+])[NH+]1CCC(C)CC1 ZINC001343407527 889901630 /nfs/dbraw/zinc/90/16/30/889901630.db2.gz DYJPIRQOHXOOCP-NWDGAFQWSA-N 2 0 257.378 -0.067 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1(C[NH3+])CC(O)C1 ZINC001343444825 889909785 /nfs/dbraw/zinc/90/97/85/889909785.db2.gz MPIAQUSYSQWZNV-PIKCZWBCSA-N 2 0 267.373 -0.315 20 0 CBADRP C[C@@]1(C(=O)NCC2(C)CC[NH2+]CC2)C[C@H](O)C[NH2+]1 ZINC001343466079 889916809 /nfs/dbraw/zinc/91/68/09/889916809.db2.gz CNCVSFPGYVHQKG-GWCFXTLKSA-N 2 0 255.362 -0.395 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC001343507261 889924533 /nfs/dbraw/zinc/92/45/33/889924533.db2.gz ILQGYXAVIFFLDX-MNOVXSKESA-N 2 0 252.362 -0.852 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)C1 ZINC001344010927 889990370 /nfs/dbraw/zinc/99/03/70/889990370.db2.gz GZFUFZBJXJZETQ-AXFHLTTASA-N 2 0 253.346 -0.249 20 0 CBADRP C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CN1C(=O)CC[NH+](C)C ZINC001444449555 912452422 /nfs/dbraw/zinc/45/24/22/912452422.db2.gz JKIKPDFLTGLTQD-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1C(F)(F)F ZINC001344720290 890054527 /nfs/dbraw/zinc/05/45/27/890054527.db2.gz NPBTWBXQUJEMJH-WUNNTHRKSA-N 2 0 263.263 -0.200 20 0 CBADRP CC(C)([NH3+])CCC(=O)N1NC(=O)CC12CC[NH2+]CC2 ZINC001344860586 890076320 /nfs/dbraw/zinc/07/63/20/890076320.db2.gz GBAXUYRVQMHBCY-UHFFFAOYSA-N 2 0 268.361 -0.110 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O ZINC001444717452 912497613 /nfs/dbraw/zinc/49/76/13/912497613.db2.gz HRENLEFYXHKFND-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001444763069 912503866 /nfs/dbraw/zinc/50/38/66/912503866.db2.gz WHQRATQPUGRXEY-QWHCGFSZSA-N 2 0 298.431 -0.066 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC001345098834 890100001 /nfs/dbraw/zinc/10/00/01/890100001.db2.gz WZKKXLLMRCMREI-UMSGYPCISA-N 2 0 258.362 -0.260 20 0 CBADRP CC1([NH3+])CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001345844519 890171483 /nfs/dbraw/zinc/17/14/83/890171483.db2.gz FYYDJFIWTPGHRY-JTQLQIEISA-N 2 0 268.361 -0.806 20 0 CBADRP Cc1c(C(=O)N(C)CC[NH3+])nnn1C1CC[NH2+]CC1 ZINC001345897290 890177750 /nfs/dbraw/zinc/17/77/50/890177750.db2.gz VXVBGZVSXIXZQJ-UHFFFAOYSA-N 2 0 266.349 -0.458 20 0 CBADRP Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001445151622 912582012 /nfs/dbraw/zinc/58/20/12/912582012.db2.gz JCUUBTVSBBVFIU-OLZOCXBDSA-N 2 0 295.387 -0.919 20 0 CBADRP CN1CCN(C(=O)CCSCCC[NH3+])[C@H](CO)C1 ZINC001346227560 890244192 /nfs/dbraw/zinc/24/41/92/890244192.db2.gz BIYSXILTJCUTAW-NSHDSACASA-N 2 0 275.418 -0.407 20 0 CBADRP C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1C[N@H+](C)CCN1C ZINC001346228791 890244240 /nfs/dbraw/zinc/24/42/40/890244240.db2.gz MEZGFYYOSILBMF-NNYUYHANSA-N 2 0 254.378 -0.526 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001346332641 890272106 /nfs/dbraw/zinc/27/21/06/890272106.db2.gz KEQULKCFWXEDNR-GRYCIOLGSA-N 2 0 254.378 -0.382 20 0 CBADRP CO[C@H](C)C[NH2+]C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001445200521 912597943 /nfs/dbraw/zinc/59/79/43/912597943.db2.gz UBPQEMCDNXFBNS-NEPJUHHUSA-N 2 0 287.404 -0.428 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC001346477381 890302235 /nfs/dbraw/zinc/30/22/35/890302235.db2.gz DILIBSYXFPZIPR-MNOVXSKESA-N 2 0 256.350 -0.647 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)N[C@H](C[NH3+])C1CC1 ZINC001346477379 890302336 /nfs/dbraw/zinc/30/23/36/890302336.db2.gz DILIBSYXFPZIPR-GHMZBOCLSA-N 2 0 256.350 -0.647 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445301589 912628460 /nfs/dbraw/zinc/62/84/60/912628460.db2.gz AMWULAFQWUDGCC-WCQYABFASA-N 2 0 296.415 -0.360 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)C[N@H+](C)C(C)C ZINC001445335945 912636741 /nfs/dbraw/zinc/63/67/41/912636741.db2.gz WBCMIYOFPWRYCQ-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001445482144 912675502 /nfs/dbraw/zinc/67/55/02/912675502.db2.gz PHQDHUGZIWMIBM-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001445480740 912676208 /nfs/dbraw/zinc/67/62/08/912676208.db2.gz JJGMZPZAEUJPOY-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001445527699 912687982 /nfs/dbraw/zinc/68/79/82/912687982.db2.gz GJLQCXFVSVPFHV-JQWIXIFHSA-N 2 0 280.376 -0.496 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)CC[NH+](C)C ZINC001445618809 912715562 /nfs/dbraw/zinc/71/55/62/912715562.db2.gz WQMOVLWHIATTKV-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445650421 912724169 /nfs/dbraw/zinc/72/41/69/912724169.db2.gz VWCXAJFXCOKBEW-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@H]([NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C)C(N)=O ZINC001445655345 912729943 /nfs/dbraw/zinc/72/99/43/912729943.db2.gz KABDDUUQZLDKBH-QWRGUYRKSA-N 2 0 272.393 -0.315 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001445661021 912729408 /nfs/dbraw/zinc/72/94/08/912729408.db2.gz YUJZOLREJRQPKJ-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP CN1CCC[C@H]([NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)C1=O ZINC001446225027 912839197 /nfs/dbraw/zinc/83/91/97/912839197.db2.gz CEQLXQUQCGGUFJ-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001446229843 912845672 /nfs/dbraw/zinc/84/56/72/912845672.db2.gz DHSSFQCYEYEJFK-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]CC(=O)N(C)C)CC2)C1 ZINC001446250052 912848942 /nfs/dbraw/zinc/84/89/42/912848942.db2.gz OFBXGAGLZOMDSI-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CCO)C1 ZINC001091100401 884647823 /nfs/dbraw/zinc/64/78/23/884647823.db2.gz SAUNOEVAHDKUAE-BPCQOVAHSA-N 2 0 269.389 -0.053 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001187321488 884717432 /nfs/dbraw/zinc/71/74/32/884717432.db2.gz AKVYMWICLFDMPP-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001187321541 884718942 /nfs/dbraw/zinc/71/89/42/884718942.db2.gz CQJYRAIXCIKOHP-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001188146143 884721354 /nfs/dbraw/zinc/72/13/54/884721354.db2.gz WAAWEDRMWJNNLF-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001188145964 884721757 /nfs/dbraw/zinc/72/17/57/884721757.db2.gz TXZVFMBLBBCWRW-VXGBXAGGSA-N 2 0 282.388 -0.594 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001446299307 912858720 /nfs/dbraw/zinc/85/87/20/912858720.db2.gz OPCROUUFBGNMMI-LLVKDONJSA-N 2 0 282.388 -0.547 20 0 CBADRP CC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001206464531 884758268 /nfs/dbraw/zinc/75/82/68/884758268.db2.gz PWVFTHPAVSFCHQ-FRRDWIJNSA-N 2 0 255.362 -0.504 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315629 884762119 /nfs/dbraw/zinc/76/21/19/884762119.db2.gz UOPUEALMHLJIRT-JHJVBQTASA-N 2 0 287.404 -0.618 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001210810675 884766033 /nfs/dbraw/zinc/76/60/33/884766033.db2.gz CKOIEHINGFSTPD-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP COCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374622 884778456 /nfs/dbraw/zinc/77/84/56/884778456.db2.gz ODMCUFGAOXVPMW-CHWSQXEVSA-N 2 0 287.404 -0.210 20 0 CBADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@H]1[NH2+]CC[C@H]1O ZINC001219795550 884792063 /nfs/dbraw/zinc/79/20/63/884792063.db2.gz CNMLUOHWBNRIBN-KGLIPLIRSA-N 3 0 296.415 -0.958 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)nn1 ZINC001326061195 884893106 /nfs/dbraw/zinc/89/31/06/884893106.db2.gz ACOUGFFJNNVXOD-VXGBXAGGSA-N 2 0 292.387 -0.159 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N[C@H]2CCC[NH2+]C2)nn1 ZINC001326077328 884901635 /nfs/dbraw/zinc/90/16/35/884901635.db2.gz LGVUONUVGMERQS-JTQLQIEISA-N 2 0 266.349 -0.501 20 0 CBADRP [NH3+]Cc1cc(C(=O)NC[C@@H]2C[NH2+]CCCO2)co1 ZINC001326127065 884914418 /nfs/dbraw/zinc/91/44/18/884914418.db2.gz LDBOYONZTRFKND-NSHDSACASA-N 2 0 253.302 -0.153 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)CC[C@H]2CC[NH2+]C2)CCCO1 ZINC001326140815 884919644 /nfs/dbraw/zinc/91/96/44/884919644.db2.gz PEFQUWHIQNGDIW-NWDGAFQWSA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCC(C)(C)CO)CC1 ZINC001326201969 884943587 /nfs/dbraw/zinc/94/35/87/884943587.db2.gz MWQDQXVCGGRLFE-ZDUSSCGKSA-N 2 0 273.421 -0.407 20 0 CBADRP [NH3+][C@@H](C(=O)NC[C@@H]1C[NH2+]CCO1)C1CCCCC1 ZINC001326292806 884972725 /nfs/dbraw/zinc/97/27/25/884972725.db2.gz LBPMGWOVISNOLV-NWDGAFQWSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]CCN1CCC(c2nnc3n2CCNC3)CC1 ZINC001326310300 884981763 /nfs/dbraw/zinc/98/17/63/884981763.db2.gz BLRLJTFGKLSJCV-UHFFFAOYSA-N 2 0 250.350 -0.481 20 0 CBADRP C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)[C@@H]1CC[NH2+]C1 ZINC001326311201 884986418 /nfs/dbraw/zinc/98/64/18/884986418.db2.gz QHKHKBLPDMAAIL-UONOGXRCSA-N 3 0 252.406 -0.035 20 0 CBADRP C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)[C@@H]1CC[NH2+]C1 ZINC001326311199 884986892 /nfs/dbraw/zinc/98/68/92/884986892.db2.gz QHKHKBLPDMAAIL-KBPBESRZSA-N 3 0 252.406 -0.035 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC001326352729 885001490 /nfs/dbraw/zinc/00/14/90/885001490.db2.gz JSCOPFDUAVSJFC-VHSXEESVSA-N 2 0 263.345 -0.080 20 0 CBADRP COCC[NH2+]CCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001326368878 885007579 /nfs/dbraw/zinc/00/75/79/885007579.db2.gz KSPJGWKQXOBOMV-UHFFFAOYSA-N 2 0 296.375 -0.832 20 0 CBADRP C[C@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC[C@@H]1[NH3+] ZINC001326370405 885009044 /nfs/dbraw/zinc/00/90/44/885009044.db2.gz VHTLMTVTTHMTBR-WPRPVWTQSA-N 2 0 263.345 -0.135 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001326375750 885012818 /nfs/dbraw/zinc/01/28/18/885012818.db2.gz PFWQUAPPGSPKHM-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC001326408362 885021406 /nfs/dbraw/zinc/02/14/06/885021406.db2.gz JRHTUSNHGYCWGP-ZDUSSCGKSA-N 2 0 268.405 -0.260 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001326407430 885021559 /nfs/dbraw/zinc/02/15/59/885021559.db2.gz CXMQRBTUSOHKMF-WDNDVIMCSA-N 2 0 280.416 -0.404 20 0 CBADRP CCOCC[NH+]1CCN(CCN2CC[NH2+]CC2)CC1 ZINC001326420722 885025038 /nfs/dbraw/zinc/02/50/38/885025038.db2.gz IQCLPZQSJCZFHB-UHFFFAOYSA-N 2 0 270.421 -0.454 20 0 CBADRP C[NH2+]C[C@@](C)(O)CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001326487306 885046712 /nfs/dbraw/zinc/04/67/12/885046712.db2.gz LLQMYIJLCNXCEJ-LSDHHAIUSA-N 2 0 284.448 -0.331 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC001326548935 885061774 /nfs/dbraw/zinc/06/17/74/885061774.db2.gz OSOQUHJPBFJIDA-UHFFFAOYSA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCCCN1CC(=O)N1CC[NH2+]CC1 ZINC001326583357 885074271 /nfs/dbraw/zinc/07/42/71/885074271.db2.gz ZHGGISLKGIMJHS-VXGBXAGGSA-N 2 0 254.378 -0.380 20 0 CBADRP CC[C@@]1(C(=O)N(C)CCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC001326583036 885074682 /nfs/dbraw/zinc/07/46/82/885074682.db2.gz WEOJOEYGYNVFRL-CQSZACIVSA-N 2 0 268.405 -0.260 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC[C@H]2CCOC2)CC1 ZINC001326596463 885080485 /nfs/dbraw/zinc/08/04/85/885080485.db2.gz KTHAWAGMMJWMHA-UONOGXRCSA-N 2 0 271.405 -0.389 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C1=CC[N@H+](C)CC1 ZINC001326596795 885082201 /nfs/dbraw/zinc/08/22/01/885082201.db2.gz NWCRZZFUWUEBDI-GDBMZVCRSA-N 3 0 296.459 -0.165 20 0 CBADRP C[C@@H](CNC(=O)[C@H](N)CC[NH+](C)C)N1CC[NH+](C)CC1 ZINC001326625396 885093805 /nfs/dbraw/zinc/09/38/05/885093805.db2.gz DHYQNWDIRHMNMF-QWHCGFSZSA-N 2 0 285.436 -0.983 20 0 CBADRP C[NH+]1CCN(CCNC(=O)CCc2ncc[nH]2)CC1 ZINC001326785849 885143524 /nfs/dbraw/zinc/14/35/24/885143524.db2.gz ABJSHQWCLVKTNW-UHFFFAOYSA-N 2 0 265.361 -0.294 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[C@@H]1[NH3+] ZINC001326808109 885159333 /nfs/dbraw/zinc/15/93/33/885159333.db2.gz YGXNMODRLLGNOQ-RVMXOQNASA-N 2 0 296.415 -0.362 20 0 CBADRP COC1CC[NH+](CCNC(=O)COCC[NH3+])CC1 ZINC001326811083 885162863 /nfs/dbraw/zinc/16/28/63/885162863.db2.gz SCOCXNRIUMVESI-UHFFFAOYSA-N 2 0 259.350 -0.811 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001326833775 885168213 /nfs/dbraw/zinc/16/82/13/885168213.db2.gz IEZFDGOMWUHBLD-GARJFASQSA-N 2 0 268.361 -0.950 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC(C)([NH3+])CC2)C1 ZINC001326847754 885172433 /nfs/dbraw/zinc/17/24/33/885172433.db2.gz UNOPQLRTQDNRPU-TXEJJXNPSA-N 2 0 296.415 -0.217 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2CC23CC[NH2+]CC3)CCCO1 ZINC001326938118 885196699 /nfs/dbraw/zinc/19/66/99/885196699.db2.gz OYCJYLVTRRVOQB-NWDGAFQWSA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CCCO1 ZINC001326938117 885197825 /nfs/dbraw/zinc/19/78/25/885197825.db2.gz OYCJYLVTRRVOQB-NEPJUHHUSA-N 2 0 267.373 -0.048 20 0 CBADRP C[NH2+][C@@H](C)Cc1noc(CNC(=O)[C@@H]([NH3+])C(C)C)n1 ZINC001326979032 885211722 /nfs/dbraw/zinc/21/17/22/885211722.db2.gz QYCLQEUTVVYMHU-KWQFWETISA-N 2 0 269.349 -0.181 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001326988878 885213256 /nfs/dbraw/zinc/21/32/56/885213256.db2.gz DSRONJZLCIGGJS-ZIAGYGMSSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[C@@H](O)CCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001327006416 885222895 /nfs/dbraw/zinc/22/28/95/885222895.db2.gz YHGUJFGJHYLZRV-KGLIPLIRSA-N 2 0 273.421 -0.265 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001446577267 912910722 /nfs/dbraw/zinc/91/07/22/912910722.db2.gz WWGKDYLJCWZMGU-SMDDNHRTSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001327056518 885238150 /nfs/dbraw/zinc/23/81/50/885238150.db2.gz SZDJELPFPUNJKD-VHSXEESVSA-N 2 0 270.377 -0.561 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001446581248 912912371 /nfs/dbraw/zinc/91/23/71/912912371.db2.gz WHEAGKFKGFPBKB-IUODEOHRSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]CCO)C1 ZINC001327064021 885240467 /nfs/dbraw/zinc/24/04/67/885240467.db2.gz LIMONUBBQPQTHM-LBPRGKRZSA-N 2 0 273.377 -0.863 20 0 CBADRP O=C(CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1 ZINC001327089828 885252229 /nfs/dbraw/zinc/25/22/29/885252229.db2.gz OTBJQVNGFIUQJN-TXEJJXNPSA-N 2 0 252.362 -0.756 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)CN(CC[NH3+])Cc1ccccc1 ZINC001327088781 885252691 /nfs/dbraw/zinc/25/26/91/885252691.db2.gz CFBQFIATUFCWMK-GFCCVEGCSA-N 2 0 264.373 -0.089 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1CC[C@@H]1CC[NH2+]C1 ZINC001327087981 885253959 /nfs/dbraw/zinc/25/39/59/885253959.db2.gz WAMSUYUGZPRFAQ-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001446630387 912914700 /nfs/dbraw/zinc/91/47/00/912914700.db2.gz XAIWFHDLONHWLD-AWEZNQCLSA-N 2 0 284.404 -0.358 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC001327159198 885273521 /nfs/dbraw/zinc/27/35/21/885273521.db2.gz HCQADGOTTFUWEO-WUHRBBMRSA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@@H]([NH3+])C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001327179926 885275718 /nfs/dbraw/zinc/27/57/18/885275718.db2.gz BXYLOXJQYTVULG-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP CCN1CC[NH+](CCCCNC(=O)COCC[NH3+])CC1 ZINC001327195405 885282431 /nfs/dbraw/zinc/28/24/31/885282431.db2.gz DNUACEOKYJENBF-UHFFFAOYSA-N 2 0 286.420 -0.504 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC001327448216 885357573 /nfs/dbraw/zinc/35/75/73/885357573.db2.gz DMHRBBNSQPKRER-GHMZBOCLSA-N 2 0 256.394 -0.230 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CC=CC1 ZINC001327463363 885364064 /nfs/dbraw/zinc/36/40/64/885364064.db2.gz OWTKQJGUOSMGBB-UHFFFAOYSA-N 2 0 296.415 -0.227 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCC[NH3+])CC[N@@H+]1C ZINC001327501062 885379320 /nfs/dbraw/zinc/37/93/20/885379320.db2.gz RRGLJXNUAKAYMQ-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC001327522041 885391485 /nfs/dbraw/zinc/39/14/85/885391485.db2.gz YTDHRVPEZXBYDC-WOPDTQHZSA-N 2 0 296.415 -0.158 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCC[C@H](C)[NH2+]C ZINC001327550281 885401417 /nfs/dbraw/zinc/40/14/17/885401417.db2.gz GEOOBEYQBSPFAV-LBPRGKRZSA-N 2 0 286.420 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN(C[C@H]3C[NH2+]CCO3)CC2)C1 ZINC001327562200 885406973 /nfs/dbraw/zinc/40/69/73/885406973.db2.gz JXFBYLVKPPUMJK-HUUCEWRRSA-N 2 0 282.432 -0.313 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001327579349 885412992 /nfs/dbraw/zinc/41/29/92/885412992.db2.gz SIVUUOTTXINBKF-NEPJUHHUSA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCCC[NH2+]2)n1 ZINC001327584089 885416529 /nfs/dbraw/zinc/41/65/29/885416529.db2.gz OIILXXOZYFZQBP-VIFPVBQESA-N 2 0 265.317 -0.601 20 0 CBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001327612285 885430239 /nfs/dbraw/zinc/43/02/39/885430239.db2.gz BAIFJFNHGYCFIP-VXGBXAGGSA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C2([NH3+])CCCC2)n1 ZINC001327938238 885536331 /nfs/dbraw/zinc/53/63/31/885536331.db2.gz ANSBBTUFZCCBIJ-UHFFFAOYSA-N 2 0 265.317 -0.471 20 0 CBADRP CC[C@]1(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC[NH2+]C1 ZINC001328236111 885610712 /nfs/dbraw/zinc/61/07/12/885610712.db2.gz MSGMNFFJSYQNKX-MDZLAQPJSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(CC[NH3+])C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC001328340315 885642213 /nfs/dbraw/zinc/64/22/13/885642213.db2.gz RXSINZNPZSFUHF-LLVKDONJSA-N 2 0 251.334 -0.162 20 0 CBADRP C[C@@H](CCCCO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001328414080 885678208 /nfs/dbraw/zinc/67/82/08/885678208.db2.gz ZJYXRHHXULITMN-KBPBESRZSA-N 2 0 273.421 -0.265 20 0 CBADRP C[C@H](CCCCO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001328414081 885679023 /nfs/dbraw/zinc/67/90/23/885679023.db2.gz ZJYXRHHXULITMN-KGLIPLIRSA-N 2 0 273.421 -0.265 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CCO[C@H]2C[NH3+])CC[N@@H+]1C ZINC001328454285 885693921 /nfs/dbraw/zinc/69/39/21/885693921.db2.gz DXAWABSEIGFXCO-WYUUTHIRSA-N 2 0 255.362 -0.051 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC[C@@H]1[NH3+] ZINC001328454809 885693946 /nfs/dbraw/zinc/69/39/46/885693946.db2.gz KUHMMZBCPMTUPH-WYUUTHIRSA-N 2 0 255.362 -0.064 20 0 CBADRP C[NH+](C)C1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001328453982 885694174 /nfs/dbraw/zinc/69/41/74/885694174.db2.gz AJRVQVJQOCKKNF-NWDGAFQWSA-N 2 0 255.362 -0.097 20 0 CBADRP CC[NH2+]Cc1ccccc1NC(=O)CNC(=O)C[NH3+] ZINC001328478292 885701878 /nfs/dbraw/zinc/70/18/78/885701878.db2.gz OHKPRRPEXOJRCI-UHFFFAOYSA-N 2 0 264.329 -0.191 20 0 CBADRP C[C@@H](CCC[NH3+])NC(=O)c1cn(CCCC[NH3+])nn1 ZINC001328504382 885709453 /nfs/dbraw/zinc/70/94/53/885709453.db2.gz NXBLCNWNTRLMNT-JTQLQIEISA-N 2 0 268.365 -0.126 20 0 CBADRP COC1(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC[NH2+]CC1 ZINC001328524895 885715109 /nfs/dbraw/zinc/71/51/09/885715109.db2.gz MRWBTGGZAWRORE-WDEREUQCSA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC001328581242 885732868 /nfs/dbraw/zinc/73/28/68/885732868.db2.gz IZJMTFPWXHSEHO-ZFWWWQNUSA-N 2 0 281.400 -0.051 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001446942047 912983216 /nfs/dbraw/zinc/98/32/16/912983216.db2.gz ODTRGIAACPYKLY-NEPJUHHUSA-N 2 0 284.404 -0.502 20 0 CBADRP [NH3+]CCN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001329147031 885947788 /nfs/dbraw/zinc/94/77/88/885947788.db2.gz DXLTYNPKRLGJOY-MNOVXSKESA-N 2 0 254.334 -0.798 20 0 CBADRP CN(CCOCC[NH3+])Cc1nc(C(C)(C)[NH3+])no1 ZINC001329150053 885951220 /nfs/dbraw/zinc/95/12/20/885951220.db2.gz SCBGLZDXYYDRTL-UHFFFAOYSA-N 2 0 257.338 -0.330 20 0 CBADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC001329223828 885971183 /nfs/dbraw/zinc/97/11/83/885971183.db2.gz WGJVNBXEKAXKCC-ZDEQEGDKSA-N 2 0 257.378 -0.605 20 0 CBADRP CN(CCC[NH3+])Cc1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC001329245852 885982350 /nfs/dbraw/zinc/98/23/50/885982350.db2.gz VQVCKLYDUYIVLE-LBPRGKRZSA-N 2 0 268.365 -0.953 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCCCC[NH3+] ZINC001329377770 886039215 /nfs/dbraw/zinc/03/92/15/886039215.db2.gz IMYKQHCJZHCFNQ-UHFFFAOYSA-N 2 0 264.395 -0.757 20 0 CBADRP CC(C)[C@H]1CN(CC(=O)N2CC[NH2+]CC2)CC[N@@H+]1C ZINC001329377421 886038272 /nfs/dbraw/zinc/03/82/72/886038272.db2.gz ZFEIHMUVMFDTQT-CYBMUJFWSA-N 2 0 268.405 -0.310 20 0 CBADRP O=C(NCC1C[NH2+]C1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC001329499285 886096415 /nfs/dbraw/zinc/09/64/15/886096415.db2.gz RFRLTZGMIJMRJN-LBPRGKRZSA-N 2 0 263.345 -0.243 20 0 CBADRP C[C@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)N1CC[NH2+]CC1 ZINC001329497863 886096516 /nfs/dbraw/zinc/09/65/16/886096516.db2.gz AAEHZBAUTDLCJD-RYUDHWBXSA-N 2 0 254.378 -0.557 20 0 CBADRP C[C@H]1CN(CCN2CCN([C@@H]3CC[NH2+]C3)CC2)CCO1 ZINC001329500229 886097162 /nfs/dbraw/zinc/09/71/62/886097162.db2.gz ZWOLLBXXGHGYBJ-LSDHHAIUSA-N 2 0 282.432 -0.313 20 0 CBADRP COC(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001329497953 886097695 /nfs/dbraw/zinc/09/76/95/886097695.db2.gz AMNZGZIERGQAJL-LLVKDONJSA-N 2 0 269.345 -0.554 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)N(C)CC(N)=O ZINC001329612862 886144427 /nfs/dbraw/zinc/14/44/27/886144427.db2.gz ILXKQQWSFRYTQP-JTQLQIEISA-N 2 0 256.350 -0.996 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001329651273 886161297 /nfs/dbraw/zinc/16/12/97/886161297.db2.gz IEZNFAYLSPDJAF-LBPRGKRZSA-N 2 0 268.405 -0.180 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC001329675970 886169435 /nfs/dbraw/zinc/16/94/35/886169435.db2.gz UEIXLPVMGZZYKP-QWHCGFSZSA-N 2 0 257.378 -0.195 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)C2(OC)CC[NH2+]CC2)CC1 ZINC001330595001 886492489 /nfs/dbraw/zinc/49/24/89/886492489.db2.gz LNQXCDYUMZBODF-UHFFFAOYSA-N 2 0 299.415 -0.018 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]CCO)C2)CCC1 ZINC001330609943 886501179 /nfs/dbraw/zinc/50/11/79/886501179.db2.gz JSSPJOBMUVGUOT-HAQNSBGRSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001330859972 886601662 /nfs/dbraw/zinc/60/16/62/886601662.db2.gz MNAYQBNRLOXFPF-WCQYABFASA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H]([NH3+])CC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001331043143 886657054 /nfs/dbraw/zinc/65/70/54/886657054.db2.gz TYRBCUUJUPZPON-LBPRGKRZSA-N 2 0 256.394 -0.133 20 0 CBADRP C[NH+](C)CCONC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC001331183223 886716519 /nfs/dbraw/zinc/71/65/19/886716519.db2.gz CJMRQZIXIXXOIV-NSHDSACASA-N 2 0 286.376 -0.994 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331218601 886734293 /nfs/dbraw/zinc/73/42/93/886734293.db2.gz DCRJBYZACKAIHM-PHIMTYICSA-N 2 0 270.377 -0.750 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001331319909 886773950 /nfs/dbraw/zinc/77/39/50/886773950.db2.gz QOJDJLYCGYZPMP-HBNTYKKESA-N 2 0 270.377 -0.561 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001331421956 886799974 /nfs/dbraw/zinc/79/99/74/886799974.db2.gz OCNKIBYVTUFELN-DZGCQCFKSA-N 2 0 295.431 -0.135 20 0 CBADRP C[C@@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+]CCO ZINC001331468987 886814042 /nfs/dbraw/zinc/81/40/42/886814042.db2.gz FZSMHJCEKYDTII-NSHDSACASA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001331474638 886816954 /nfs/dbraw/zinc/81/69/54/886816954.db2.gz JPBYECPCNNGWSH-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC001331572987 886852268 /nfs/dbraw/zinc/85/22/68/886852268.db2.gz WAFPJSGSRUGACV-RYUDHWBXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCO ZINC001331617135 886868797 /nfs/dbraw/zinc/86/87/97/886868797.db2.gz SGGSMCCKENQGPR-RYUDHWBXSA-N 2 0 257.378 -0.243 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001331660416 886887084 /nfs/dbraw/zinc/88/70/84/886887084.db2.gz YVAVTLGAGFWURW-UTUOFQBUSA-N 2 0 282.388 -0.750 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331689012 886907604 /nfs/dbraw/zinc/90/76/04/886907604.db2.gz IKTBZOPCTYHYFB-MNOVXSKESA-N 2 0 263.345 -0.155 20 0 CBADRP C[C@@H]1CCN(C(=O)c2cnc(C[NH3+])nc2)C[C@H]1C[NH3+] ZINC001331706635 886920803 /nfs/dbraw/zinc/92/08/03/886920803.db2.gz HSFPPAUQKGWGES-NXEZZACHSA-N 2 0 263.345 -0.008 20 0 CBADRP CCN(C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC001331705661 886921561 /nfs/dbraw/zinc/92/15/61/886921561.db2.gz HGMXZSBDEHNANK-YNEHKIRRSA-N 2 0 294.399 -0.641 20 0 CBADRP Cc1cc(C[NH3+])oc1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001331712634 886928477 /nfs/dbraw/zinc/92/84/77/886928477.db2.gz OTWPIGVIYBJMLY-UHFFFAOYSA-N 2 0 265.313 -0.139 20 0 CBADRP O=C([C@@H](F)[C@@H]1CC[NH2+]C1)N1CCOC2(C[NH2+]C2)C1 ZINC001331713154 886930362 /nfs/dbraw/zinc/93/03/62/886930362.db2.gz VCMRYYZRINQPFL-ZJUUUORDSA-N 2 0 257.309 -0.865 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)N(CC)CC[NH3+])CC1 ZINC001331731646 886943630 /nfs/dbraw/zinc/94/36/30/886943630.db2.gz PQWMRGFPUWGSCB-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC1CC1)[NH+](C)C ZINC001331737831 886946653 /nfs/dbraw/zinc/94/66/53/886946653.db2.gz DHANCVGUZCPLEG-VXGBXAGGSA-N 2 0 257.378 -0.197 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)C12CCC[NH+]1CCC2 ZINC001331780925 886975706 /nfs/dbraw/zinc/97/57/06/886975706.db2.gz SDKDIFMVLNGUBK-LBPRGKRZSA-N 2 0 267.373 -0.202 20 0 CBADRP COCCC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001331834145 887003826 /nfs/dbraw/zinc/00/38/26/887003826.db2.gz DVCPFRJDEMVLJD-RYUDHWBXSA-N 2 0 273.377 -0.959 20 0 CBADRP CCOCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001331834405 887006554 /nfs/dbraw/zinc/00/65/54/887006554.db2.gz HLZGUPIAHHYLJS-NEPJUHHUSA-N 2 0 273.377 -0.959 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001331957583 887060870 /nfs/dbraw/zinc/06/08/70/887060870.db2.gz LXTUIEHKBRAHNE-RWMBFGLXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2ccccn2)CC1 ZINC001331962113 887065390 /nfs/dbraw/zinc/06/53/90/887065390.db2.gz ANZLUWSXLZRXHA-HNNXBMFYSA-N 2 0 278.400 -0.178 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC001331969356 887067995 /nfs/dbraw/zinc/06/79/95/887067995.db2.gz OIJBIOSGYFZQIE-RNFRBKRXSA-N 2 0 257.256 -0.254 20 0 CBADRP [NH3+]C[C@H]1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC001331980653 887074993 /nfs/dbraw/zinc/07/49/93/887074993.db2.gz JJROUUSZUSRVHW-NEPJUHHUSA-N 2 0 264.377 -0.017 20 0 CBADRP C[NH+](C)CCn1cc(CCN2CCC([NH3+])CC2)nn1 ZINC001332022881 887089267 /nfs/dbraw/zinc/08/92/67/887089267.db2.gz RJJNILOEIBCCEZ-UHFFFAOYSA-N 2 0 266.393 -0.195 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NC[C@H]2CCC[NH2+]C2)nn1 ZINC001332109986 887113624 /nfs/dbraw/zinc/11/36/24/887113624.db2.gz XNBJCDHGQZWZIU-JTQLQIEISA-N 2 0 266.349 -0.644 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001332155650 887135219 /nfs/dbraw/zinc/13/52/19/887135219.db2.gz BPUIDXGGOVDTBF-ZJUUUORDSA-N 2 0 257.334 -0.713 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001332203343 887149260 /nfs/dbraw/zinc/14/92/60/887149260.db2.gz PGWMJDBQRCEBBH-IUCAKERBSA-N 2 0 252.322 -0.720 20 0 CBADRP C[C@H](CCC[NH3+])NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001332243399 887167157 /nfs/dbraw/zinc/16/71/57/887167157.db2.gz OCTIIQIRIPJLLE-ZJUUUORDSA-N 2 0 256.350 -0.902 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001332219340 887159187 /nfs/dbraw/zinc/15/91/87/887159187.db2.gz ZMNLMJJMMLVYKP-IJLUTSLNSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH+](C)CCN1NC(=O)CC2(CC[NH+](C)CC2)C1=O ZINC001332221667 887159530 /nfs/dbraw/zinc/15/95/30/887159530.db2.gz IGWQDDYEMIGLCG-UHFFFAOYSA-N 2 0 268.361 -0.477 20 0 CBADRP CC[NH+]1CCC(CNC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC001332233916 887164348 /nfs/dbraw/zinc/16/43/48/887164348.db2.gz IFPTWOYRPDAFEX-WCQYABFASA-N 2 0 296.415 -0.217 20 0 CBADRP [NH3+]Cc1cc(C(=O)N2CCCO[C@H](C[NH3+])C2)co1 ZINC001332282668 887184252 /nfs/dbraw/zinc/18/42/52/887184252.db2.gz VBDQBEFCOBYPGL-LLVKDONJSA-N 2 0 253.302 -0.072 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001332293106 887186004 /nfs/dbraw/zinc/18/60/04/887186004.db2.gz WQOBBBRVZCKDLN-MELADBBJSA-N 2 0 280.416 -0.262 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001332295788 887188898 /nfs/dbraw/zinc/18/88/98/887188898.db2.gz MZXDDQLWPDSGFA-INTQDDNPSA-N 2 0 251.334 -0.732 20 0 CBADRP [NH3+]CC(C[NH3+])NCC(=O)NCc1ccc(F)cc1 ZINC001332334554 887209020 /nfs/dbraw/zinc/20/90/20/887209020.db2.gz LYMIAUFQKOPRDE-UHFFFAOYSA-N 2 0 254.309 -0.683 20 0 CBADRP CO[C@H](C)c1noc(CN2CC[NH2+]CC[NH2+]CC2)n1 ZINC001332335481 887212803 /nfs/dbraw/zinc/21/28/03/887212803.db2.gz WVQUOZGLIAHTAA-SNVBAGLBSA-N 2 0 269.349 -0.228 20 0 CBADRP C[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)C1C[NH2+]C1 ZINC001332395211 887255252 /nfs/dbraw/zinc/25/52/52/887255252.db2.gz GCKHIMSQNADJQS-JOYOIKCWSA-N 2 0 255.318 -0.595 20 0 CBADRP C[C@H]([NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001447804009 913128144 /nfs/dbraw/zinc/12/81/44/913128144.db2.gz JCOXAKSPWTYNRU-ZBOXLXRLSA-N 2 0 296.415 -0.314 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1CC(=O)N1CC[NH2+]CC1 ZINC001332425054 887273177 /nfs/dbraw/zinc/27/31/77/887273177.db2.gz UQYZDJRJNPBMEG-QWRGUYRKSA-N 2 0 258.341 -0.950 20 0 CBADRP C[NH2+]CCCN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332425163 887273474 /nfs/dbraw/zinc/27/34/74/887273474.db2.gz WHAXXXWBTWAVAV-ZIAGYGMSSA-N 2 0 295.431 -0.184 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001447804250 913130685 /nfs/dbraw/zinc/13/06/85/913130685.db2.gz KVQNWJVXTNLECB-UNXYVOJBSA-N 2 0 284.404 -0.443 20 0 CBADRP CC(C)=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001332487252 887312534 /nfs/dbraw/zinc/31/25/34/887312534.db2.gz GBFKZHKKIIXIQW-KBPBESRZSA-N 2 0 299.415 -0.308 20 0 CBADRP CCNC(=O)C[NH2+]CC1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001447822846 913134799 /nfs/dbraw/zinc/13/47/99/913134799.db2.gz KJGMBXYSTHUFSL-UHFFFAOYSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](CNC(=O)C1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC001332498852 887323665 /nfs/dbraw/zinc/32/36/65/887323665.db2.gz BUFWIYKPYQMIEA-LBPRGKRZSA-N 2 0 268.405 -0.262 20 0 CBADRP CNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001447818229 913136014 /nfs/dbraw/zinc/13/60/14/913136014.db2.gz FHDWAVDDGNJTNH-ORHYLEIMSA-N 2 0 298.431 -0.197 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC001332556371 887352242 /nfs/dbraw/zinc/35/22/42/887352242.db2.gz DNCJJNKQHADHCX-NAKRPEOUSA-N 2 0 256.350 -0.519 20 0 CBADRP COCC[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001332567313 887358509 /nfs/dbraw/zinc/35/85/09/887358509.db2.gz UOKQGRLDRLXOMJ-STQMWFEESA-N 2 0 287.404 -0.617 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1CCC[NH2+]C1CC1 ZINC001332815745 887438453 /nfs/dbraw/zinc/43/84/53/887438453.db2.gz KORYORXJQLPBPJ-LBPRGKRZSA-N 2 0 255.362 -0.035 20 0 CBADRP CN(CCC[NH3+])C(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001332962345 887490038 /nfs/dbraw/zinc/49/00/38/887490038.db2.gz WUFJRMYKNHHNGI-QGZVFWFLSA-N 2 0 261.391 -0.706 20 0 CBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)CC[NH3+])CC2)C1=O ZINC001332995873 887497940 /nfs/dbraw/zinc/49/79/40/887497940.db2.gz ZWNMWVQSFUINFC-NSHDSACASA-N 2 0 268.361 -0.854 20 0 CBADRP OC[C@H]1C=CCN1CC1(C[N@@H+]2CC=C[C@@H]2CO)COC1 ZINC001333084304 887520440 /nfs/dbraw/zinc/52/04/40/887520440.db2.gz KDUWDDHQCVCNFF-ZIAGYGMSSA-N 2 0 280.368 -0.532 20 0 CBADRP CCN(C(=O)[C@@H]([NH3+])CCC(=O)OC)[C@@H]1CC[NH2+]C1 ZINC001333274248 887579740 /nfs/dbraw/zinc/57/97/40/887579740.db2.gz ZRDOEOSWJCQART-ZJUUUORDSA-N 2 0 257.334 -0.523 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001333290797 887586687 /nfs/dbraw/zinc/58/66/87/887586687.db2.gz GLYCKNWYXOASHI-WCQYABFASA-N 2 0 255.362 -0.048 20 0 CBADRP C[S@@](=O)C1(C(=O)NCC(C)(C)[NH3+])CC[NH2+]CC1 ZINC001333321821 887596634 /nfs/dbraw/zinc/59/66/34/887596634.db2.gz OCPWVXMHPUEJGJ-QGZVFWFLSA-N 2 0 261.391 -0.659 20 0 CBADRP C[S@@](=O)C1(C(=O)NCC[NH2+]C2CC2)CC[NH2+]CC1 ZINC001333321039 887596999 /nfs/dbraw/zinc/59/69/99/887596999.db2.gz VJBHRGIYSQLPMH-GOSISDBHSA-N 2 0 273.402 -0.645 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001333352779 887607685 /nfs/dbraw/zinc/60/76/85/887607685.db2.gz NOYZLMPEYAWRLT-WDEREUQCSA-N 2 0 254.378 -0.334 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)nn1 ZINC001333355070 887607763 /nfs/dbraw/zinc/60/77/63/887607763.db2.gz YMOPWTVEKCDZLU-WCQYABFASA-N 2 0 292.387 -0.017 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)nn1 ZINC001333355069 887607926 /nfs/dbraw/zinc/60/79/26/887607926.db2.gz YMOPWTVEKCDZLU-DGCLKSJQSA-N 2 0 292.387 -0.017 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001333352776 887608144 /nfs/dbraw/zinc/60/81/44/887608144.db2.gz NOYZLMPEYAWRLT-GHMZBOCLSA-N 2 0 254.378 -0.334 20 0 CBADRP CCN(C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)[C@H]1CC[NH2+]C1 ZINC001333473731 887653331 /nfs/dbraw/zinc/65/33/31/887653331.db2.gz BAEPBPCCCAFLNI-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH2+]CCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001333532323 887676184 /nfs/dbraw/zinc/67/61/84/887676184.db2.gz OWQUQMOVLZZCQG-GFCCVEGCSA-N 2 0 270.377 -0.242 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001333625480 887722882 /nfs/dbraw/zinc/72/28/82/887722882.db2.gz LFAUSWBJDWGFGK-WDEREUQCSA-N 2 0 272.393 -0.314 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001333881772 887798104 /nfs/dbraw/zinc/79/81/04/887798104.db2.gz AETISNQQDCYTSM-WCQYABFASA-N 2 0 296.415 -0.027 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC001333884902 887800550 /nfs/dbraw/zinc/80/05/50/887800550.db2.gz QCLRZIURNHVRTH-NEPJUHHUSA-N 2 0 296.415 -0.077 20 0 CBADRP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001333910908 887806282 /nfs/dbraw/zinc/80/62/82/887806282.db2.gz BNROFVXJBIKVDJ-AAEUAGOBSA-N 2 0 299.334 -0.477 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCCCC[NH3+])CC[C@H]21 ZINC001333957516 887818485 /nfs/dbraw/zinc/81/84/85/887818485.db2.gz CEJQQJUZVYRTOM-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001333959295 887821328 /nfs/dbraw/zinc/82/13/28/887821328.db2.gz MSJYKAGOUODFSI-XQQFMLRXSA-N 2 0 294.399 -0.560 20 0 CBADRP c1nnn([C@H]2CCC[NH2+]C2)c1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001334053747 887855210 /nfs/dbraw/zinc/85/52/10/887855210.db2.gz ABRGIKXBDYKNAW-FTYKPCCVSA-N 2 0 262.361 -0.490 20 0 CBADRP C[C@H](O)C[NH+]1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC001334056391 887857797 /nfs/dbraw/zinc/85/77/97/887857797.db2.gz SFUJECSYXGLFQK-VHSXEESVSA-N 2 0 251.321 -0.033 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@@H]1[C@H]3C[NH2+]C[C@H]31)C2 ZINC001334214716 887893735 /nfs/dbraw/zinc/89/37/35/887893735.db2.gz VGMARVLKVKZPPZ-ZTVLKNOQSA-N 2 0 250.346 -0.545 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC001334231426 887899762 /nfs/dbraw/zinc/89/97/62/887899762.db2.gz SZEMSQIONJKPRD-OUAUKWLOSA-N 2 0 256.350 -0.911 20 0 CBADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N1CC[NH2+]CC[NH2+]CC1 ZINC001334763968 888318224 /nfs/dbraw/zinc/31/82/24/888318224.db2.gz VCNPSFISGOUCJY-KBPBESRZSA-N 3 0 268.405 -0.750 20 0 CBADRP [NH3+]CC[C@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001334774229 888319271 /nfs/dbraw/zinc/31/92/71/888319271.db2.gz GVFUYCXBVPMWDQ-STQMWFEESA-N 3 0 268.405 -0.146 20 0 CBADRP C[C@@H]1C[N@H+](CC(=O)N2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC001335180449 888434074 /nfs/dbraw/zinc/43/40/74/888434074.db2.gz HCOVASJELDSHPF-VXGBXAGGSA-N 3 0 254.378 -0.665 20 0 CBADRP [NH3+]CC1(NC(=O)NC2CC[NH2+]CC2)CCOCC1 ZINC001335202412 888442990 /nfs/dbraw/zinc/44/29/90/888442990.db2.gz PWVGVWTWPHJHGJ-UHFFFAOYSA-N 2 0 256.350 -0.455 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC001335266224 888475975 /nfs/dbraw/zinc/47/59/75/888475975.db2.gz VMOLJSBRQJESEK-MNOVXSKESA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001335275523 888479454 /nfs/dbraw/zinc/47/94/54/888479454.db2.gz FHQGCYPIGCTDOI-LLVKDONJSA-N 2 0 280.372 -0.709 20 0 CBADRP [NH3+]CC1CCN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)CC1 ZINC001335307069 888493005 /nfs/dbraw/zinc/49/30/05/888493005.db2.gz CFBIFQPOPQAZQN-LBPRGKRZSA-N 2 0 267.373 -0.048 20 0 CBADRP O=C(NC1CC[NH2+]CC1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001335307558 888493255 /nfs/dbraw/zinc/49/32/55/888493255.db2.gz FSSDLBOMVLZDOZ-UHFFFAOYSA-N 2 0 266.345 -0.247 20 0 CBADRP COC(=O)CCNC(=O)CC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC001335379820 888520334 /nfs/dbraw/zinc/52/03/34/888520334.db2.gz CTFNKVKFYQDIRD-VIFPVBQESA-N 2 0 257.334 -0.747 20 0 CBADRP O[C@@H](C[NH2+]CC[C@]1(O)CCCOC1)C[NH+]1CCCC1 ZINC001335431041 888531668 /nfs/dbraw/zinc/53/16/68/888531668.db2.gz MSZMUEJTYICRNS-UONOGXRCSA-N 2 0 272.389 -0.036 20 0 CBADRP C[C@H](CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)[S@](C)=O ZINC001335476606 888544675 /nfs/dbraw/zinc/54/46/75/888544675.db2.gz JNJVSCIEKHPZHN-VPZZIHKRSA-N 2 0 291.461 -0.659 20 0 CBADRP CCO[C@@H](CNC(=O)NCCCC[NH3+])C[NH+](C)C ZINC001335588649 888573086 /nfs/dbraw/zinc/57/30/86/888573086.db2.gz IRWYXSJNQOBPKS-NSHDSACASA-N 2 0 260.382 -0.009 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)N1CCNCC[NH2+]CC1 ZINC001335586823 888573170 /nfs/dbraw/zinc/57/31/70/888573170.db2.gz DPPIXZPFNYFMLP-LLVKDONJSA-N 2 0 257.382 -0.826 20 0 CBADRP C[C@@H](O)[C@H](O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC001335593647 888575489 /nfs/dbraw/zinc/57/54/89/888575489.db2.gz IRGASRBYRBQSJJ-CHWSQXEVSA-N 2 0 259.394 -0.703 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001335623320 888584844 /nfs/dbraw/zinc/58/48/44/888584844.db2.gz YYDPUQYTGNXOPR-WRWGMCAJSA-N 2 0 268.361 -0.945 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)NCCN1CCC([NH3+])CC1 ZINC001335622849 888585596 /nfs/dbraw/zinc/58/55/96/888585596.db2.gz JWICAYRYHQHMQM-JTQLQIEISA-N 2 0 257.382 -0.602 20 0 CBADRP CCO[C@@H](CNC(=O)N(C)CCC[NH3+])C[NH+](C)C ZINC001335629190 888587647 /nfs/dbraw/zinc/58/76/47/888587647.db2.gz LLGIIRUJGACLCO-NSHDSACASA-N 2 0 260.382 -0.057 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001335687241 888602519 /nfs/dbraw/zinc/60/25/19/888602519.db2.gz PFOZGJWBTXTXDH-OUAUKWLOSA-N 2 0 256.350 -0.586 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC001335680253 888603159 /nfs/dbraw/zinc/60/31/59/888603159.db2.gz WFIWFRUWJJXXGO-ZJUUUORDSA-N 2 0 256.350 -0.728 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001335751159 888621673 /nfs/dbraw/zinc/62/16/73/888621673.db2.gz JNZGIEIGUKAHSQ-FDYHWXHSSA-N 2 0 296.415 -0.171 20 0 CBADRP COC1(C(=O)N(C)C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001335789837 888628800 /nfs/dbraw/zinc/62/88/00/888628800.db2.gz WVBITYNKTXPLFN-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP CN(C)CC[NH+]1CCC(C[NH2+]CCC(N)=O)CC1 ZINC001335940655 888656992 /nfs/dbraw/zinc/65/69/92/888656992.db2.gz DPBRNCWTMHIFTD-UHFFFAOYSA-N 2 0 256.394 -0.275 20 0 CBADRP CC[C@@](C)(O)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001335949724 888661042 /nfs/dbraw/zinc/66/10/42/888661042.db2.gz FLRWJPBMMAUCME-CHWSQXEVSA-N 2 0 259.394 -0.655 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC001336117620 888697666 /nfs/dbraw/zinc/69/76/66/888697666.db2.gz SFSXPPQZAIJQET-LBPRGKRZSA-N 2 0 269.393 -0.539 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC001336133945 888700295 /nfs/dbraw/zinc/70/02/95/888700295.db2.gz PUYJVIVZOBBTJG-QWRGUYRKSA-N 2 0 256.350 -0.502 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)NCC(F)(F)CN ZINC001336125768 888701600 /nfs/dbraw/zinc/70/16/00/888701600.db2.gz WXWSTZAOEGUMEC-QMMMGPOBSA-N 2 0 266.292 -0.790 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)NCC(F)(F)CN ZINC001336125756 888701913 /nfs/dbraw/zinc/70/19/13/888701913.db2.gz WXWSTZAOEGUMEC-MRVPVSSYSA-N 2 0 266.292 -0.790 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC001336152605 888706603 /nfs/dbraw/zinc/70/66/03/888706603.db2.gz YISSAZJCSJPJCB-AAEUAGOBSA-N 2 0 270.377 -0.125 20 0 CBADRP CN1CCN(C(=O)N[C@H]2C[C@H](C[NH3+])C2)[C@@H](C[NH3+])C1 ZINC001336272451 888735077 /nfs/dbraw/zinc/73/50/77/888735077.db2.gz PPDAHZOGCLTZKO-DCAQKATOSA-N 2 0 255.366 -0.992 20 0 CBADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(CC(=O)NC3CC3)CC2)C1 ZINC001336286176 888735381 /nfs/dbraw/zinc/73/53/81/888735381.db2.gz NULXIKUABRPORK-TXEJJXNPSA-N 2 0 266.389 -0.380 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001336652040 888833870 /nfs/dbraw/zinc/83/38/70/888833870.db2.gz XUYPTBZAJMGUGK-YVECIDJPSA-N 2 0 294.399 -0.594 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC001336658857 888835882 /nfs/dbraw/zinc/83/58/82/888835882.db2.gz LPWCSKQOMRFXDQ-IJLUTSLNSA-N 2 0 254.378 -0.476 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC001336682380 888842979 /nfs/dbraw/zinc/84/29/79/888842979.db2.gz BRJXRPNZJHJELY-AVGNSLFASA-N 2 0 296.415 -0.360 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC001336682382 888844074 /nfs/dbraw/zinc/84/40/74/888844074.db2.gz BRJXRPNZJHJELY-JHJVBQTASA-N 2 0 296.415 -0.360 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001336688223 888846851 /nfs/dbraw/zinc/84/68/51/888846851.db2.gz WLECODWLCOPWFT-GWCFXTLKSA-N 2 0 268.361 -0.143 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH3+])C2)C1(F)F ZINC001336731323 888859908 /nfs/dbraw/zinc/85/99/08/888859908.db2.gz DRIBINOPUBAROD-IWSPIJDZSA-N 2 0 263.288 -0.597 20 0 CBADRP COCCOC[C@@H](O)C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC001336749603 888866966 /nfs/dbraw/zinc/86/69/66/888866966.db2.gz DQOLTASPDBMPPD-KBPBESRZSA-N 2 0 289.420 -0.764 20 0 CBADRP Cn1ncnc1CCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC001336833578 888894793 /nfs/dbraw/zinc/89/47/93/888894793.db2.gz JGMHFGRETALSSG-GFCCVEGCSA-N 2 0 267.377 -0.206 20 0 CBADRP CCO[C@@H](CNC(=O)NC[C@@H](C)C[NH3+])C[NH+](C)C ZINC001336906467 888915445 /nfs/dbraw/zinc/91/54/45/888915445.db2.gz OJJBDTRDYJAVOF-QWRGUYRKSA-N 2 0 260.382 -0.153 20 0 CBADRP O=C(NC[C@H]1CCCC[NH2+]1)N1CCNCC[NH2+]CC1 ZINC001336906584 888916100 /nfs/dbraw/zinc/91/61/00/888916100.db2.gz FKVUNQQOSRLACJ-GFCCVEGCSA-N 2 0 269.393 -0.667 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC001336909127 888917040 /nfs/dbraw/zinc/91/70/40/888917040.db2.gz RAWAVGWBTIPFMT-GFCCVEGCSA-N 2 0 269.393 -0.810 20 0 CBADRP CCO[C@@H](CNC(=O)N[C@@H](C)C[NH2+]C)C[NH+](C)C ZINC001336907685 888917176 /nfs/dbraw/zinc/91/71/76/888917176.db2.gz LZQLGMROIGTIAI-QWRGUYRKSA-N 2 0 260.382 -0.140 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)NCCOCCC[NH3+] ZINC001336923669 888921626 /nfs/dbraw/zinc/92/16/26/888921626.db2.gz SVCTYAMJKYJHGX-JTQLQIEISA-N 2 0 258.366 -0.351 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[C@@H](C[NH3+])C1 ZINC001336990790 888943447 /nfs/dbraw/zinc/94/34/47/888943447.db2.gz PJEOTKPLLQPNMN-NOOOWODRSA-N 2 0 267.377 -0.836 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC001337375537 888996080 /nfs/dbraw/zinc/99/60/80/888996080.db2.gz KFRCWYQRBBZBPV-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC001337357679 888996482 /nfs/dbraw/zinc/99/64/82/888996482.db2.gz PGOHPWISGVIVGW-JHJVBQTASA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@@H+]1C ZINC001337359406 888997255 /nfs/dbraw/zinc/99/72/55/888997255.db2.gz VJWBEZWKJGIDTD-FIQHERPVSA-N 2 0 282.388 -0.561 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC001337404088 889002347 /nfs/dbraw/zinc/00/23/47/889002347.db2.gz SITFKVHTSIZNCX-PHIMTYICSA-N 2 0 280.372 -0.840 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCCO1 ZINC001337974143 889102606 /nfs/dbraw/zinc/10/26/06/889102606.db2.gz HYMWECCXUOHHEQ-GMTAPVOTSA-N 2 0 256.350 -0.517 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC1([NH3+])CC1 ZINC001338277869 889133203 /nfs/dbraw/zinc/13/32/03/889133203.db2.gz JNNQOSDJJAALHE-GHMZBOCLSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC001338353631 889146382 /nfs/dbraw/zinc/14/63/82/889146382.db2.gz QKGWNABKZIDTDE-QWRGUYRKSA-N 2 0 282.388 -0.608 20 0 CBADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@H](O)COC)CC1 ZINC001338450645 889161917 /nfs/dbraw/zinc/16/19/17/889161917.db2.gz XHQZOALKJGVZTE-CHWSQXEVSA-N 2 0 259.394 -0.391 20 0 CBADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCNCC[NH2+]CC1 ZINC001338642040 889184096 /nfs/dbraw/zinc/18/40/96/889184096.db2.gz WVSZCGAJJQPJLW-HZSPNIEDSA-N 2 0 295.431 -0.421 20 0 CBADRP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCNCC[NH2+]CC1 ZINC001338642042 889184693 /nfs/dbraw/zinc/18/46/93/889184693.db2.gz WVSZCGAJJQPJLW-MELADBBJSA-N 2 0 295.431 -0.421 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001338646800 889187652 /nfs/dbraw/zinc/18/76/52/889187652.db2.gz TZIIATPXCPHGFR-VXGBXAGGSA-N 2 0 272.393 -0.151 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC001338659690 889188658 /nfs/dbraw/zinc/18/86/58/889188658.db2.gz HYFZXJZFZXMYMX-HBNTYKKESA-N 2 0 256.350 -0.633 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCNCC[NH2+]CC1 ZINC001338660136 889188716 /nfs/dbraw/zinc/18/87/16/889188716.db2.gz LCGHTNFABYAWFF-LBPRGKRZSA-N 2 0 269.393 -0.715 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001338660117 889189943 /nfs/dbraw/zinc/18/99/43/889189943.db2.gz KILHIZYSMCQPDA-SNVBAGLBSA-N 2 0 258.366 -0.256 20 0 CBADRP C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001448585064 913320488 /nfs/dbraw/zinc/32/04/88/913320488.db2.gz BEZPURPFRGTRGI-JQWIXIFHSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@@H]1CCC[NH2+]1 ZINC001339716159 889313498 /nfs/dbraw/zinc/31/34/98/889313498.db2.gz STTMCFPJQWCTSW-WOPDTQHZSA-N 2 0 252.362 -0.757 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC001339716667 889313641 /nfs/dbraw/zinc/31/36/41/889313641.db2.gz WOSIMTWIGVHJAN-LPEHRKFASA-N 2 0 257.334 -0.537 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001339722869 889314323 /nfs/dbraw/zinc/31/43/23/889314323.db2.gz GBGYGRANQHWHMB-FRRDWIJNSA-N 2 0 266.389 -0.415 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)C1 ZINC001339716104 889314557 /nfs/dbraw/zinc/31/45/57/889314557.db2.gz RZLZVMUULCMPSR-RWMBFGLXSA-N 2 0 266.389 -0.557 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@H]1[NH2+]CC12CCCC2 ZINC001339771782 889319916 /nfs/dbraw/zinc/31/99/16/889319916.db2.gz INDPJPRZKSQUEA-LLVKDONJSA-N 2 0 255.362 -0.129 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001339845178 889331291 /nfs/dbraw/zinc/33/12/91/889331291.db2.gz JDXOZWLASJPQGL-ZDUSSCGKSA-N 2 0 269.389 -0.112 20 0 CBADRP O=C([C@@H]1[NH2+]CC12CCOCC2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001339907810 889343610 /nfs/dbraw/zinc/34/36/10/889343610.db2.gz PWXFHAUDYDFDOL-TUAOUCFPSA-N 2 0 265.357 -0.567 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001340091649 889382668 /nfs/dbraw/zinc/38/26/68/889382668.db2.gz WUTAXXPTXRBFBP-KXNHARMFSA-N 2 0 257.378 -0.198 20 0 CBADRP COCC[NH2+]CCNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001340129745 889392700 /nfs/dbraw/zinc/39/27/00/889392700.db2.gz XMYMMAUBBVOEHG-CYBMUJFWSA-N 2 0 284.360 -0.763 20 0 CBADRP CC1(CNC(=O)C[C@]2(O)CCC[NH2+]C2)CC[NH2+]CC1 ZINC001340128810 889393002 /nfs/dbraw/zinc/39/30/02/889393002.db2.gz QHBRLQSGQNKHFP-CQSZACIVSA-N 2 0 269.389 -0.003 20 0 CBADRP CC(C)[C@H]1CN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC[NH2+]1 ZINC001340150070 889398341 /nfs/dbraw/zinc/39/83/41/889398341.db2.gz YUKPROMVOWGZPM-TZMCWYRMSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCOCC1 ZINC001340163184 889399150 /nfs/dbraw/zinc/39/91/50/889399150.db2.gz JDQXEDAAWAZJEH-ZNSHCXBVSA-N 2 0 253.346 -0.536 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H](O)C[NH2+]1 ZINC001340189918 889404507 /nfs/dbraw/zinc/40/45/07/889404507.db2.gz GAOQOCCVZHOOEG-SUZMYJTESA-N 2 0 253.346 -0.548 20 0 CBADRP C[C@]1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H](O)C[NH2+]1 ZINC001340189919 889405108 /nfs/dbraw/zinc/40/51/08/889405108.db2.gz GAOQOCCVZHOOEG-UFGOTCBOSA-N 2 0 253.346 -0.548 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC001340182710 889405570 /nfs/dbraw/zinc/40/55/70/889405570.db2.gz LCTAVSPMRJOGKC-YUMQZZPRSA-N 2 0 268.283 -0.714 20 0 CBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001340187404 889405959 /nfs/dbraw/zinc/40/59/59/889405959.db2.gz ZGIOUELHIKWQRX-MFKMUULPSA-N 2 0 255.362 -0.252 20 0 CBADRP NOCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001340249039 889415229 /nfs/dbraw/zinc/41/52/29/889415229.db2.gz NFECEFQTCXSCNE-UHFFFAOYSA-N 2 0 293.371 -0.400 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001340267621 889416417 /nfs/dbraw/zinc/41/64/17/889416417.db2.gz ULMMEYRVGMZIGA-KBPBESRZSA-N 2 0 267.373 -0.297 20 0 CBADRP CC(C)[C@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC[NH2+]1 ZINC001340280285 889416745 /nfs/dbraw/zinc/41/67/45/889416745.db2.gz FSFVMPJCCZPHCO-NQBHXWOUSA-N 2 0 255.362 -0.444 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C[C@@H](O)C[NH2+]1 ZINC001340313131 889421991 /nfs/dbraw/zinc/42/19/91/889421991.db2.gz QGSMWSLVVRSVKR-NQMVMOMDSA-N 2 0 263.288 -0.787 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)CCCO1 ZINC001340347285 889424519 /nfs/dbraw/zinc/42/45/19/889424519.db2.gz WINUFVZDCTVBRA-MJDLHHQISA-N 2 0 253.346 -0.454 20 0 CBADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C[C@@H](O)C[NH3+])CC1 ZINC001340347684 889424768 /nfs/dbraw/zinc/42/47/68/889424768.db2.gz AVIWEQWEELDKOA-YPMHNXCESA-N 2 0 269.389 -0.067 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)CCCO1 ZINC001340347286 889426081 /nfs/dbraw/zinc/42/60/81/889426081.db2.gz WINUFVZDCTVBRA-ZIQFBCGOSA-N 2 0 253.346 -0.454 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC001340366378 889428853 /nfs/dbraw/zinc/42/88/53/889428853.db2.gz ZIMQTLOCSFAALA-MNOVXSKESA-N 2 0 255.362 -0.443 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCc1ccc(C[NH3+])cc1 ZINC001340403531 889430459 /nfs/dbraw/zinc/43/04/59/889430459.db2.gz BDCAOPFKJFHYDB-MFKMUULPSA-N 2 0 265.357 -0.022 20 0 CBADRP [NH3+]CCNCC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC001340469546 889437477 /nfs/dbraw/zinc/43/74/77/889437477.db2.gz NOTVSQQNAVRKQZ-NEPJUHHUSA-N 2 0 254.378 -0.475 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH2+]CC1(C)C ZINC001340482915 889439053 /nfs/dbraw/zinc/43/90/53/889439053.db2.gz DIPJPFGDKJNOFN-NEPJUHHUSA-N 2 0 266.389 -0.415 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2[NH2+]CC23CCCC3)CCO1 ZINC001340530810 889441613 /nfs/dbraw/zinc/44/16/13/889441613.db2.gz PHUNCUPUWPGTON-WDEREUQCSA-N 2 0 253.346 -0.295 20 0 CBADRP O=C(NCC1=CC[NH2+]CC1)[C@H]1[NH2+]CC12CCOCC2 ZINC001340529259 889442408 /nfs/dbraw/zinc/44/24/08/889442408.db2.gz KGGMENWFDWXBHA-GFCCVEGCSA-N 2 0 265.357 -0.209 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001340526280 889442774 /nfs/dbraw/zinc/44/27/74/889442774.db2.gz BUMJTAJDTIFADD-CYBMUJFWSA-N 2 0 299.415 -0.161 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC001340542209 889444891 /nfs/dbraw/zinc/44/48/91/889444891.db2.gz VYFPNNABAVELFG-DGCLKSJQSA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@@]1(C(=O)N2CCC3(C[NH2+]C3)CC2)C[C@@H](O)C[NH2+]1 ZINC001340574973 889448201 /nfs/dbraw/zinc/44/82/01/889448201.db2.gz XTXNRTZNEXRIHS-PWSUYJOCSA-N 2 0 253.346 -0.689 20 0 CBADRP C[C@]1(C(=O)N2CCC3(C[NH2+]C3)CC2)C[C@H](O)C[NH2+]1 ZINC001340574971 889448492 /nfs/dbraw/zinc/44/84/92/889448492.db2.gz XTXNRTZNEXRIHS-CMPLNLGQSA-N 2 0 253.346 -0.689 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)C[C@H]1C[NH3+] ZINC001340555805 889449540 /nfs/dbraw/zinc/44/95/40/889449540.db2.gz JMZCMTYNJULRFC-LBELIVKGSA-N 2 0 267.373 -0.336 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001340597585 889452189 /nfs/dbraw/zinc/45/21/89/889452189.db2.gz YVWHBZJNGPFKNW-GRYCIOLGSA-N 2 0 255.362 -0.171 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCN2C)[C@H](C[NH3+])C1 ZINC001340644269 889459345 /nfs/dbraw/zinc/45/93/45/889459345.db2.gz MVSCUZTZTCNJMC-GRYCIOLGSA-N 2 0 254.378 -0.524 20 0 CBADRP C[NH2+][C@H](C(=O)N(C)CCOCC[NH3+])c1cnn(C)c1 ZINC001340718733 889470593 /nfs/dbraw/zinc/47/05/93/889470593.db2.gz NOSKQMCUAMECLF-NSHDSACASA-N 2 0 269.349 -0.886 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001340704536 889470892 /nfs/dbraw/zinc/47/08/92/889470892.db2.gz LEMLZILLRSDWQW-LSCVPOLPSA-N 2 0 255.362 -0.444 20 0 CBADRP C[NH2+][C@@H](C(=O)N(C)CCOCC[NH3+])c1cnn(C)c1 ZINC001340718731 889471108 /nfs/dbraw/zinc/47/11/08/889471108.db2.gz NOSKQMCUAMECLF-LLVKDONJSA-N 2 0 269.349 -0.886 20 0 CBADRP CC1(C)CC[NH2+]CCN1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001340781435 889484622 /nfs/dbraw/zinc/48/46/22/889484622.db2.gz XRROSTMOVKBYCW-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](CC(=O)N[C@@H]1C[NH2+]C[C@@H]1O)C1CC[NH2+]CC1 ZINC001340785467 889485320 /nfs/dbraw/zinc/48/53/20/889485320.db2.gz CGQXHPVNJXNMKF-WCQGTBRESA-N 2 0 255.362 -0.539 20 0 CBADRP C[C@@H](CNC(=O)CNCC[NH3+])[N@@H+]1CCCC[C@H]1C ZINC001340807077 889490232 /nfs/dbraw/zinc/49/02/32/889490232.db2.gz GGCOTDJDROAWBY-NEPJUHHUSA-N 2 0 256.394 -0.086 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001340820319 889490805 /nfs/dbraw/zinc/49/08/05/889490805.db2.gz CTVAWQOCHMGHMV-SGMGOOAPSA-N 2 0 269.389 -0.101 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)O)C1 ZINC001340821808 889492065 /nfs/dbraw/zinc/49/20/65/889492065.db2.gz CMWDKMRMGYDLOR-GHMZBOCLSA-N 2 0 257.378 -0.069 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001340825266 889492620 /nfs/dbraw/zinc/49/26/20/889492620.db2.gz WXTMDARGRYQKIG-AAEUAGOBSA-N 2 0 255.362 -0.299 20 0 CBADRP C[NH2+]CCOCCNC(=O)c1cc2n(n1)CCC[C@H]2[NH3+] ZINC001340832028 889492901 /nfs/dbraw/zinc/49/29/01/889492901.db2.gz KOYBACVIHFJTHQ-SNVBAGLBSA-N 2 0 281.360 -0.358 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC001340825582 889493377 /nfs/dbraw/zinc/49/33/77/889493377.db2.gz KVYIIBYXGQNINS-YPMHNXCESA-N 2 0 267.373 -0.108 20 0 CBADRP C[NH+]1CCC(CNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001340839363 889495118 /nfs/dbraw/zinc/49/51/18/889495118.db2.gz PGTXSQQJIIRRGV-YPMHNXCESA-N 2 0 255.362 -0.443 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001340852582 889497650 /nfs/dbraw/zinc/49/76/50/889497650.db2.gz IBHDZRPGJFATSS-DRZSPHRISA-N 2 0 269.389 -0.197 20 0 CBADRP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)CNCC[NH3+] ZINC001340847075 889497699 /nfs/dbraw/zinc/49/76/99/889497699.db2.gz NEPYQQNCSXLQTM-WCQGTBRESA-N 2 0 254.378 -0.573 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC001340863372 889500263 /nfs/dbraw/zinc/50/02/63/889500263.db2.gz RIKMJUGMHHOEAP-WTIVYXKASA-N 2 0 255.362 -0.419 20 0 CBADRP [NH3+]CC1(CC(=O)N2CCC[C@@H]([NH2+]CCO)C2)CC1 ZINC001340864889 889500434 /nfs/dbraw/zinc/50/04/34/889500434.db2.gz FPJXUFNLDLQPFW-LLVKDONJSA-N 2 0 255.362 -0.312 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001340865284 889500503 /nfs/dbraw/zinc/50/05/03/889500503.db2.gz HITYYLPZAZGNOY-RYUDHWBXSA-N 2 0 269.389 -0.195 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC001340863373 889501755 /nfs/dbraw/zinc/50/17/55/889501755.db2.gz RIKMJUGMHHOEAP-YGABWQLJSA-N 2 0 255.362 -0.419 20 0 CBADRP C[C@H](NC(=O)CNCC[NH3+])C1([NH+]2CCOCC2)CCCC1 ZINC001340880385 889503161 /nfs/dbraw/zinc/50/31/61/889503161.db2.gz NADNLQLRTVZKML-ZDUSSCGKSA-N 2 0 298.431 -0.316 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC001340889046 889505768 /nfs/dbraw/zinc/50/57/68/889505768.db2.gz WQJPRCAYRRVHCL-JJOYANBFSA-N 2 0 255.362 -0.315 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC001340891623 889506394 /nfs/dbraw/zinc/50/63/94/889506394.db2.gz BAGNPTIOYPLEKM-DNIRFERGSA-N 2 0 269.389 -0.198 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC001340891625 889507820 /nfs/dbraw/zinc/50/78/20/889507820.db2.gz BAGNPTIOYPLEKM-UKJIMTQDSA-N 2 0 269.389 -0.198 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001340903836 889509681 /nfs/dbraw/zinc/50/96/81/889509681.db2.gz NPEXLWNPKREAIJ-GHMZBOCLSA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@]23C[C@H]2CCC[NH2+]3)CC1 ZINC001340894151 889510030 /nfs/dbraw/zinc/51/00/30/889510030.db2.gz KEISAJMRMZNFEL-OCCSQVGLSA-N 2 0 266.389 -0.508 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001340915746 889514111 /nfs/dbraw/zinc/51/41/11/889514111.db2.gz JFZHCURLSBKTLX-WYUUTHIRSA-N 2 0 255.362 -0.444 20 0 CBADRP [NH3+]C1CC(CC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC001340928618 889515671 /nfs/dbraw/zinc/51/56/71/889515671.db2.gz HPECREQCJFDWOP-WXRRBKDZSA-N 2 0 266.389 -0.380 20 0 CBADRP C[C@@H]1CN(C(=O)C2(C[NH3+])CC(O)C2)C[C@H]1CC[NH3+] ZINC001340926349 889516833 /nfs/dbraw/zinc/51/68/33/889516833.db2.gz CEAQIFOQKIITTG-IXYVEGFRSA-N 2 0 255.362 -0.471 20 0 CBADRP CNC(=O)CC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001340940756 889517040 /nfs/dbraw/zinc/51/70/40/889517040.db2.gz VHWHCNBFDFOTPL-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCCN1CCC([NH3+])CC1 ZINC001340943346 889518602 /nfs/dbraw/zinc/51/86/02/889518602.db2.gz SMKYFSNVQUPCPY-GFCCVEGCSA-N 2 0 268.405 -0.086 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001340941383 889520397 /nfs/dbraw/zinc/52/03/97/889520397.db2.gz SRJZOBWRUGXNMS-WZRBSPASSA-N 2 0 252.362 -0.709 20 0 CBADRP O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CC[NH2+]C[C@H]1CO ZINC001340953923 889522039 /nfs/dbraw/zinc/52/20/39/889522039.db2.gz PHQUZPTTZXIYCT-AGIUHOORSA-N 2 0 267.373 -0.204 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CNCC[NH3+])C1 ZINC001340987621 889527326 /nfs/dbraw/zinc/52/73/26/889527326.db2.gz XISCRMDEFUGZFX-NWDGAFQWSA-N 2 0 254.378 -0.523 20 0 CBADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)CNCC[NH3+])c1 ZINC001340967576 889527374 /nfs/dbraw/zinc/52/73/74/889527374.db2.gz OJDFWAYWVXZCPA-AWEZNQCLSA-N 2 0 292.383 -0.284 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001341010166 889532487 /nfs/dbraw/zinc/53/24/87/889532487.db2.gz FYENBFNCOHDIDT-MPPDQPJWSA-N 2 0 255.362 -0.275 20 0 CBADRP C[NH2+]CCCC(=O)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001341028255 889533263 /nfs/dbraw/zinc/53/32/63/889533263.db2.gz MKWLEQWIBHOPFL-AWEZNQCLSA-N 2 0 277.372 -0.017 20 0 CBADRP CCO[C@H](CNC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)C[NH+](C)C ZINC001341057091 889539595 /nfs/dbraw/zinc/53/95/95/889539595.db2.gz IJERYHWVLGEYAS-FVCCEPFGSA-N 2 0 269.389 -0.075 20 0 CBADRP [NH3+]CCNCC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001341081195 889539995 /nfs/dbraw/zinc/53/99/95/889539995.db2.gz PBWJHYHBEXQMOG-UHFFFAOYSA-N 2 0 254.378 -0.475 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001341099182 889542290 /nfs/dbraw/zinc/54/22/90/889542290.db2.gz FKEIBGCTRZGEPQ-LLVKDONJSA-N 2 0 254.378 -0.604 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001448722638 913356785 /nfs/dbraw/zinc/35/67/85/913356785.db2.gz STJDDIKMZXTNLO-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP O=C(CCC12CC(C1)C[NH2+]2)N1CCNCC[NH2+]CC1 ZINC001341100525 889545878 /nfs/dbraw/zinc/54/58/78/889545878.db2.gz XOIAJKYYCGAUFE-UHFFFAOYSA-N 2 0 266.389 -0.460 20 0 CBADRP CCO[C@@H](CNC(=O)[C@]1(F)CC[NH2+]C1)C[NH+](C)C ZINC001341171564 889552968 /nfs/dbraw/zinc/55/29/68/889552968.db2.gz DAEPXZZZIUWPTR-JQWIXIFHSA-N 2 0 261.341 -0.229 20 0 CBADRP Cc1cc(C[NH3+])oc1C(=O)N1CCNCC[NH2+]CC1 ZINC001341222281 889559344 /nfs/dbraw/zinc/55/93/44/889559344.db2.gz KZTLUUFOHBZXPJ-UHFFFAOYSA-N 2 0 266.345 -0.318 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC001341244614 889565598 /nfs/dbraw/zinc/56/55/98/889565598.db2.gz QICFLDFZVCMSNN-BJDJZHNGSA-N 2 0 257.378 -0.293 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC001341242397 889565915 /nfs/dbraw/zinc/56/59/15/889565915.db2.gz BABMRZYOZCGFNR-QCNOEVLYSA-N 2 0 257.378 -0.069 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC001341243728 889565981 /nfs/dbraw/zinc/56/59/81/889565981.db2.gz KABLGVWUSBJMSU-AGIUHOORSA-N 2 0 266.389 -0.367 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)C1 ZINC001341243643 889566396 /nfs/dbraw/zinc/56/63/96/889566396.db2.gz IOEYXPSZSNFECI-XQQFMLRXSA-N 2 0 266.389 -0.415 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC(=O)N1CCC1 ZINC001448718315 913359388 /nfs/dbraw/zinc/35/93/88/913359388.db2.gz LIVYBPRNSWYHGI-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001341318432 889575309 /nfs/dbraw/zinc/57/53/09/889575309.db2.gz OIYLHAAEXAMHQL-NNYUYHANSA-N 2 0 257.378 -0.341 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])=NO1 ZINC001341336020 889577235 /nfs/dbraw/zinc/57/72/35/889577235.db2.gz QKDISJYSMZDISC-GBIKHYSHSA-N 2 0 266.345 -0.180 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001341370486 889583641 /nfs/dbraw/zinc/58/36/41/889583641.db2.gz YSYOEIMEZCLJCL-VWYCJHECSA-N 2 0 253.346 -0.378 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC001341405707 889592288 /nfs/dbraw/zinc/59/22/88/889592288.db2.gz WHYAALBSJMUMJX-UTUOFQBUSA-N 2 0 267.373 -0.001 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001341465250 889601886 /nfs/dbraw/zinc/60/18/86/889601886.db2.gz KHRAIWCWQCCZJU-WOPDTQHZSA-N 2 0 266.389 -0.511 20 0 CBADRP [NH3+][C@H](CC(=O)N1CCC[C@@H]([NH2+]CCO)C1)C1CC1 ZINC001341477030 889603902 /nfs/dbraw/zinc/60/39/02/889603902.db2.gz JSNKJGFPKGSKIE-VXGBXAGGSA-N 2 0 255.362 -0.313 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)[NH2+]C1CC1 ZINC001341468269 889604423 /nfs/dbraw/zinc/60/44/23/889604423.db2.gz PHBWDSIMIKAAGX-CMPLNLGQSA-N 2 0 255.362 -0.036 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)[C@H](C)[NH2+]C1CC1 ZINC001341468270 889604318 /nfs/dbraw/zinc/60/43/18/889604318.db2.gz PHBWDSIMIKAAGX-JQWIXIFHSA-N 2 0 255.362 -0.036 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccccc1C[NH3+] ZINC001341493763 889607404 /nfs/dbraw/zinc/60/74/04/889607404.db2.gz SWBYSOIHMQCGLA-LLVKDONJSA-N 2 0 251.330 -0.202 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)c1oc(C[NH3+])cc1C ZINC001341492508 889607604 /nfs/dbraw/zinc/60/76/04/889607604.db2.gz KKKRAJADNITPEU-VIFPVBQESA-N 2 0 255.318 -0.301 20 0 CBADRP C[NH+](C)CCCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001341515707 889612039 /nfs/dbraw/zinc/61/20/39/889612039.db2.gz NOXCVXVNMXHNOR-NSHDSACASA-N 2 0 270.377 -0.748 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001341525123 889614831 /nfs/dbraw/zinc/61/48/31/889614831.db2.gz JANBOSIRNDSNBJ-PELKAZGASA-N 2 0 252.318 -0.878 20 0 CBADRP O=C(NCCC[NH+]1CCCC1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341540921 889620239 /nfs/dbraw/zinc/62/02/39/889620239.db2.gz UJVNWGURYFODPC-LBPRGKRZSA-N 2 0 294.399 -0.591 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2C[C@H]([NH3+])C23CCC3)CC[NH2+]C1 ZINC001341550192 889620357 /nfs/dbraw/zinc/62/03/57/889620357.db2.gz AEIRBKRMGKUSPL-LOWVWBTDSA-N 2 0 267.373 -0.001 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC001341553927 889622923 /nfs/dbraw/zinc/62/29/23/889622923.db2.gz RILLCKIIXPYQTM-GMTAPVOTSA-N 2 0 252.362 -0.724 20 0 CBADRP O=C(NCCCC[NH+]1CCOCC1)C12CC(C1)C[NH2+]2 ZINC001341556130 889623307 /nfs/dbraw/zinc/62/33/07/889623307.db2.gz UPFMCZYWNKJLPO-UHFFFAOYSA-N 2 0 267.373 -0.033 20 0 CBADRP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001341590795 889629845 /nfs/dbraw/zinc/62/98/45/889629845.db2.gz IVSMPCFSEBDOEN-IACUBPJLSA-N 2 0 267.373 -0.169 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1C[NH2+]CCN1C ZINC001341613270 889631661 /nfs/dbraw/zinc/63/16/61/889631661.db2.gz GLZVKGRUNMFIME-STQMWFEESA-N 2 0 268.405 -0.119 20 0 CBADRP C[C@@H](CNC(=O)C12CC(C1)C[NH2+]2)N1CC[NH+](C)CC1 ZINC001341626576 889634371 /nfs/dbraw/zinc/63/43/71/889634371.db2.gz IDPIBZJZYOPLMD-DCBWTQNWSA-N 2 0 266.389 -0.510 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC001341619743 889635313 /nfs/dbraw/zinc/63/53/13/889635313.db2.gz OKUDFMVAMMPHCG-ZYHUDNBSSA-N 2 0 255.362 -0.192 20 0 CBADRP C[NH+]1CCC(NC(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001341632843 889636369 /nfs/dbraw/zinc/63/63/69/889636369.db2.gz WNOPRYUPNPQQJS-CYBMUJFWSA-N 2 0 255.362 -0.299 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC001341639137 889636684 /nfs/dbraw/zinc/63/66/84/889636684.db2.gz BBMJBGHAPMRDFJ-VGMNWLOBSA-N 2 0 263.288 -0.727 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001341630274 889637188 /nfs/dbraw/zinc/63/71/88/889637188.db2.gz AYLWLKXJDNJQEI-ZWNOBZJWSA-N 2 0 257.378 -0.197 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CC[NH+](C(C)C)CC1 ZINC001341643720 889640068 /nfs/dbraw/zinc/64/00/68/889640068.db2.gz CZJIQUAOAODQHA-VXGBXAGGSA-N 2 0 257.378 -0.245 20 0 CBADRP CC1(CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[NH2+]CC1 ZINC001341644003 889640591 /nfs/dbraw/zinc/64/05/91/889640591.db2.gz RJBYDHUXFKZPES-GFCCVEGCSA-N 2 0 296.415 -0.310 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1)C1CC1 ZINC001341658068 889641997 /nfs/dbraw/zinc/64/19/97/889641997.db2.gz DGUFCUKDGPUEQD-WZRBSPASSA-N 2 0 255.362 -0.444 20 0 CBADRP [NH3+][C@@H]1C[C@H](C(=O)NCCC[NH+]2CCC(O)CC2)[C@H]2C[C@H]21 ZINC001341661581 889643649 /nfs/dbraw/zinc/64/36/49/889643649.db2.gz DOTLHEYZQASZKL-RFQIPJPRSA-N 2 0 281.400 -0.067 20 0 CBADRP C[NH2+]CCCCC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001341673577 889645484 /nfs/dbraw/zinc/64/54/84/889645484.db2.gz GXLGMOQJIVRYDW-CYBMUJFWSA-N 2 0 268.405 -0.118 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)n1 ZINC001341687432 889649295 /nfs/dbraw/zinc/64/92/95/889649295.db2.gz SZXCJNFSXHEFBB-UWVGGRQHSA-N 2 0 269.324 -0.338 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001341688772 889649934 /nfs/dbraw/zinc/64/99/34/889649934.db2.gz LCVMEWQUXRGUQA-FVCCEPFGSA-N 2 0 264.373 -0.805 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001341708148 889651536 /nfs/dbraw/zinc/65/15/36/889651536.db2.gz MGMLFLFWZYFEJN-NXEZZACHSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@H](C(=O)N1CCC(OC2C[NH2+]C2)CC1)[NH+](C)C ZINC001341700036 889651577 /nfs/dbraw/zinc/65/15/77/889651577.db2.gz OMAHFZAKGFONEK-SNVBAGLBSA-N 2 0 255.362 -0.084 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001341747099 889657308 /nfs/dbraw/zinc/65/73/08/889657308.db2.gz DSTJJICIYSTAMS-WCQYABFASA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH2+]CCN(C(=O)[C@H]([NH3+])CCC(=O)OC)C(C)C ZINC001341754064 889657326 /nfs/dbraw/zinc/65/73/26/889657326.db2.gz VPNQLNSYHTTYAU-SNVBAGLBSA-N 2 0 259.350 -0.277 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC001341747373 889658156 /nfs/dbraw/zinc/65/81/56/889658156.db2.gz GOHYXWMUZZGHHK-LPEHRKFASA-N 2 0 257.334 -0.524 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001341753648 889658560 /nfs/dbraw/zinc/65/85/60/889658560.db2.gz SMGWKKPTYQMENG-ZWNOBZJWSA-N 2 0 269.345 -0.521 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001341776510 889659954 /nfs/dbraw/zinc/65/99/54/889659954.db2.gz POUPFYXOWAWMJK-WCQYABFASA-N 2 0 255.362 -0.348 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001341776511 889660761 /nfs/dbraw/zinc/66/07/61/889660761.db2.gz POUPFYXOWAWMJK-YPMHNXCESA-N 2 0 255.362 -0.348 20 0 CBADRP C[C@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC[NH2+]1 ZINC001341769633 889660604 /nfs/dbraw/zinc/66/06/04/889660604.db2.gz XVRSWOYDVMLPOU-SFTQSGBHSA-N 2 0 267.373 -0.131 20 0 CBADRP C[C@@]1(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C[C@H](O)C[NH2+]1 ZINC001341789577 889662638 /nfs/dbraw/zinc/66/26/38/889662638.db2.gz ZTGPKBCTETZARV-MNXVOIDGSA-N 2 0 269.389 -0.019 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001341799761 889666535 /nfs/dbraw/zinc/66/65/35/889666535.db2.gz VCECBPZPDWJUIL-NNYUYHANSA-N 2 0 253.346 -0.378 20 0 CBADRP [NH3+]CCNCC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC001341846984 889673452 /nfs/dbraw/zinc/67/34/52/889673452.db2.gz PIBCWBQKBLMMIV-UHFFFAOYSA-N 2 0 291.399 -0.038 20 0 CBADRP C[C@H]1CN(C(=O)C2(C[NH3+])CC(O)C2)CC[C@H]1C[NH3+] ZINC001341870105 889676597 /nfs/dbraw/zinc/67/65/97/889676597.db2.gz BFDJIWWNMAFILU-QKIYJJFGSA-N 2 0 255.362 -0.471 20 0 CBADRP C[C@@]1(C(=O)N2CCC[C@@]([NH3+])(CO)C2)CCC[NH2+]C1 ZINC001341858980 889676938 /nfs/dbraw/zinc/67/69/38/889676938.db2.gz NPSHBJITQSPXBR-OLZOCXBDSA-N 2 0 255.362 -0.312 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CC23CCOCC3)C[C@H]1C[NH3+] ZINC001341896806 889681508 /nfs/dbraw/zinc/68/15/08/889681508.db2.gz COMJKFKFUMNHHC-IJLUTSLNSA-N 2 0 267.373 -0.192 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001341952619 889688992 /nfs/dbraw/zinc/68/89/92/889688992.db2.gz VPFAHPWJDFKOEB-QWRGUYRKSA-N 2 0 253.346 -0.438 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[NH+]1CCC(CO)CC1 ZINC001342009810 889697085 /nfs/dbraw/zinc/69/70/85/889697085.db2.gz ZGCWQNYKXMKUOX-QWRGUYRKSA-N 2 0 257.378 -0.067 20 0 CBADRP [NH3+][C@H]1C[C@@H](NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC001342064003 889705435 /nfs/dbraw/zinc/70/54/35/889705435.db2.gz DJKCZPGAQXIHKX-KXUCPTDWSA-N 2 0 264.333 -0.578 20 0 CBADRP [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)[C@@H]1C[NH2+]CCO1 ZINC001342084385 889708980 /nfs/dbraw/zinc/70/89/80/889708980.db2.gz DGZHLLZZFWEQMB-GVXVVHGQSA-N 2 0 253.346 -0.295 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H]1COC2(C[NH2+]C2)C1)[C@@H](C)[NH3+] ZINC001342125530 889713830 /nfs/dbraw/zinc/71/38/30/889713830.db2.gz KLRLNZDOLLAMMR-MXWKQRLJSA-N 2 0 255.362 -0.147 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001342128472 889716935 /nfs/dbraw/zinc/71/69/35/889716935.db2.gz NHISPPDBEWILQP-CYBMUJFWSA-N 2 0 268.405 -0.167 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001342128474 889718304 /nfs/dbraw/zinc/71/83/04/889718304.db2.gz NHISPPDBEWILQP-ZDUSSCGKSA-N 2 0 268.405 -0.167 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@]3(C)C[C@@H](O)C[NH2+]3)[C@H]2C1 ZINC001342147308 889719282 /nfs/dbraw/zinc/71/92/82/889719282.db2.gz KLPSHCPAYNFIQU-ZUDIRPEPSA-N 2 0 267.373 -0.444 20 0 CBADRP CCN(CC[NH3+])C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001342207339 889731983 /nfs/dbraw/zinc/73/19/83/889731983.db2.gz VJQQXNJTFWRWEI-GFCCVEGCSA-N 2 0 254.334 -0.308 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCCC[C@]12CCC[NH2+]C2 ZINC001342236260 889736237 /nfs/dbraw/zinc/73/62/37/889736237.db2.gz BZVKLVJASOBSIB-CYBMUJFWSA-N 2 0 268.361 -0.804 20 0 CBADRP CN(C(=O)CNCC[NH3+])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001342238280 889736287 /nfs/dbraw/zinc/73/62/87/889736287.db2.gz YEMNQMVHNXNDOD-CQSZACIVSA-N 2 0 297.447 -0.838 20 0 CBADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001342265176 889741367 /nfs/dbraw/zinc/74/13/67/889741367.db2.gz JEIOFYLIPMSLMJ-KXNHARMFSA-N 2 0 255.362 -0.267 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001342255562 889741717 /nfs/dbraw/zinc/74/17/17/889741717.db2.gz IUJQQHVJCSJYHS-BXKDBHETSA-N 2 0 254.334 -0.310 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC001342296304 889749132 /nfs/dbraw/zinc/74/91/32/889749132.db2.gz RXTOEMOGKPSGDI-AXFHLTTASA-N 2 0 255.362 -0.193 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)CC1CC[NH2+]CC1 ZINC001342299081 889748963 /nfs/dbraw/zinc/74/89/63/889748963.db2.gz YHRDDOCJUAZQOK-GFCCVEGCSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001342337906 889756075 /nfs/dbraw/zinc/75/60/75/889756075.db2.gz PNOVYDMGEDLLGQ-CMPLNLGQSA-N 2 0 255.362 -0.036 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1[NH2+]CC12CCCC2 ZINC001342351126 889759225 /nfs/dbraw/zinc/75/92/25/889759225.db2.gz WMUSFOYWTVZCBL-WDEREUQCSA-N 2 0 255.362 -0.443 20 0 CBADRP O=C(C[NH+]1CCC(CO)CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001342363557 889761100 /nfs/dbraw/zinc/76/11/00/889761100.db2.gz OMLACGBGMIHTHM-BETUJISGSA-N 2 0 267.373 -0.347 20 0 CBADRP CCC1([NH3+])CCN(C(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001342377550 889765345 /nfs/dbraw/zinc/76/53/45/889765345.db2.gz RBAHWJZRMZNKDD-UHFFFAOYSA-N 2 0 255.362 -0.184 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001342392470 889766631 /nfs/dbraw/zinc/76/66/31/889766631.db2.gz OQCDWQAPQNESER-LBELIVKGSA-N 2 0 269.389 -0.150 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001342414199 889769711 /nfs/dbraw/zinc/76/97/11/889769711.db2.gz CSSLRLVGLGOIKX-DDHJBXDOSA-N 2 0 252.362 -0.901 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001342414208 889770759 /nfs/dbraw/zinc/77/07/59/889770759.db2.gz CSSLRLVGLGOIKX-WRWGMCAJSA-N 2 0 252.362 -0.901 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]C[C@@H]2CO)C1 ZINC001342441111 889775024 /nfs/dbraw/zinc/77/50/24/889775024.db2.gz ULXAIZSMKUBBIA-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC001342548208 889791684 /nfs/dbraw/zinc/79/16/84/889791684.db2.gz AJCDQDOVNIZUAZ-WCQYABFASA-N 2 0 268.405 -0.086 20 0 CBADRP CC1(C)CN(C(=O)CO[C@@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC001342584830 889794919 /nfs/dbraw/zinc/79/49/19/889794919.db2.gz PNJPCJUNSOCFCN-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP CC1(C)CN(C(=O)CO[C@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC001342584831 889795682 /nfs/dbraw/zinc/79/56/82/889795682.db2.gz PNJPCJUNSOCFCN-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)[C@H]1CC[NH2+]1)CC2 ZINC001342615193 889800774 /nfs/dbraw/zinc/80/07/74/889800774.db2.gz NVRVWLNNWMSFKM-GHMZBOCLSA-N 2 0 253.346 -0.295 20 0 CBADRP C[NH2+]CCC(=O)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001342645942 889807080 /nfs/dbraw/zinc/80/70/80/889807080.db2.gz TUTGMRSTXOUEQA-ZDUSSCGKSA-N 2 0 263.345 -0.408 20 0 CBADRP C[C@@H]1CN(C(=O)c2c(C[NH3+])cnn2C)C[C@H]1C[NH3+] ZINC001342758336 889823184 /nfs/dbraw/zinc/82/31/84/889823184.db2.gz YSNKKQYDVSQDIX-PSASIEDQSA-N 2 0 251.334 -0.454 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC001342758069 889824126 /nfs/dbraw/zinc/82/41/26/889824126.db2.gz UHGHIKNJHNOOKO-WZRBSPASSA-N 2 0 255.362 -0.456 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001342770218 889826815 /nfs/dbraw/zinc/82/68/15/889826815.db2.gz ANVWOOOZWZXIAF-TUAOUCFPSA-N 2 0 254.378 -0.667 20 0 CBADRP CN(C(=O)C[C@@]1(O)CCC[NH2+]C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001342791961 889829936 /nfs/dbraw/zinc/82/99/36/889829936.db2.gz OTLIWHRZAAMQJZ-YGNMPJRFSA-N 2 0 253.346 -0.833 20 0 CBADRP CN(C(=O)[C@H]1[NH2+]CC1(C)C)C1(C[NH3+])CCOCC1 ZINC001342854605 889836164 /nfs/dbraw/zinc/83/61/64/889836164.db2.gz YZIVWBMYSHTIEW-SNVBAGLBSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001342845077 889836554 /nfs/dbraw/zinc/83/65/54/889836554.db2.gz QYAGTYIXSWSECW-AAEUAGOBSA-N 2 0 253.346 -0.281 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001342868180 889839847 /nfs/dbraw/zinc/83/98/47/889839847.db2.gz DJEINWPLUTZKGN-DMDPSCGWSA-N 2 0 255.362 -0.240 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001342915350 889845193 /nfs/dbraw/zinc/84/51/93/889845193.db2.gz WOXGTJHVMZLJDX-NWDGAFQWSA-N 2 0 256.394 -0.325 20 0 CBADRP CN1CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC[N@H+](C)CC1 ZINC001343024651 889857446 /nfs/dbraw/zinc/85/74/46/889857446.db2.gz DGCRLDNZSFRRTF-QWRGUYRKSA-N 2 0 290.358 -0.468 20 0 CBADRP CCCN(C(=O)[C@H](C)[C@H](O)C[NH2+]C)[C@H]1CC[NH2+]C1 ZINC001343039181 889858459 /nfs/dbraw/zinc/85/84/59/889858459.db2.gz WOGKRACCQNYSRW-GRYCIOLGSA-N 2 0 257.378 -0.197 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001343024470 889858854 /nfs/dbraw/zinc/85/88/54/889858854.db2.gz ASDXYVGGVLFCFJ-GFCCVEGCSA-N 2 0 272.393 -0.944 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC001343039485 889859188 /nfs/dbraw/zinc/85/91/88/889859188.db2.gz YKQBIABFPIXTRR-FRRDWIJNSA-N 2 0 266.389 -0.510 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC001343039473 889859909 /nfs/dbraw/zinc/85/99/09/889859909.db2.gz XVECZNUSBPYOQA-VHSXEESVSA-N 2 0 257.334 -0.617 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001343036616 889859925 /nfs/dbraw/zinc/85/99/25/889859925.db2.gz FVTVIWFSLWTVQE-GVXVVHGQSA-N 2 0 255.362 -0.288 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001343088547 889867183 /nfs/dbraw/zinc/86/71/83/889867183.db2.gz XOJBBKCXLOFNEQ-KKOKHZNYSA-N 2 0 252.362 -0.772 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C1=CCC[NH2+]CC1 ZINC001343181778 889876742 /nfs/dbraw/zinc/87/67/42/889876742.db2.gz SUBQJCYJMOHKQG-LBPRGKRZSA-N 2 0 253.346 -0.257 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001343191215 889877427 /nfs/dbraw/zinc/87/74/27/889877427.db2.gz LVSSMLLJIJJVTG-SCRDCRAPSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@H]([NH3+])CC(=O)N=c1nc(C2CC[NH2+]CC2)[nH]n1C ZINC001343252669 889883207 /nfs/dbraw/zinc/88/32/07/889883207.db2.gz YAKAOZVPUAYAST-QMMMGPOBSA-N 2 0 266.349 -0.620 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC001343440042 889910795 /nfs/dbraw/zinc/91/07/95/889910795.db2.gz VECHPBTVFHQNQD-UTUOFQBUSA-N 2 0 257.378 -0.339 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC[C@H]1[NH3+] ZINC001343487207 889918239 /nfs/dbraw/zinc/91/82/39/889918239.db2.gz MJEANILJEPEEET-UZWSLXQKSA-N 2 0 255.362 -0.315 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCN2C)CC[C@H]1[NH3+] ZINC001343486545 889920126 /nfs/dbraw/zinc/92/01/26/889920126.db2.gz KXLSQLFKZCEOKH-IJLUTSLNSA-N 2 0 254.378 -0.524 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001343489035 889922845 /nfs/dbraw/zinc/92/28/45/889922845.db2.gz IWUQSTXEMCZBRW-QJPTWQEYSA-N 2 0 256.394 -0.265 20 0 CBADRP C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)[C@@H]1C[N@H+](C)CCN1C ZINC001343492025 889923399 /nfs/dbraw/zinc/92/33/99/889923399.db2.gz UTSIWRXHKLHHCB-AVGNSLFASA-N 2 0 268.405 -0.121 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001343510493 889926572 /nfs/dbraw/zinc/92/65/72/889926572.db2.gz PTBHDUQPGDRBRW-STQMWFEESA-N 2 0 268.405 -0.227 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC001343528211 889929085 /nfs/dbraw/zinc/92/90/85/889929085.db2.gz YVUXOJKCWMQITQ-WRWGMCAJSA-N 2 0 255.362 -0.587 20 0 CBADRP CC[NH2+]CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001343566104 889931151 /nfs/dbraw/zinc/93/11/51/889931151.db2.gz FBBGLGKRGRFCEY-NEPJUHHUSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@@H](NC(=O)CC1(C[NH3+])CC1)[C@H]1C[N@H+](C)CCN1C ZINC001343582134 889934322 /nfs/dbraw/zinc/93/43/22/889934322.db2.gz ISRQLIKHBSDCGQ-VXGBXAGGSA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@@H]1C[N@H+](C)CCN1C ZINC001343581617 889936354 /nfs/dbraw/zinc/93/63/54/889936354.db2.gz CPMIKFJCWBRHLM-AGIUHOORSA-N 2 0 268.405 -0.264 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)[C@@H]1C[NH2+]CCN1C ZINC001343652946 889940943 /nfs/dbraw/zinc/94/09/43/889940943.db2.gz MQKVLTNBDDKPCB-LBPRGKRZSA-N 2 0 254.378 -0.652 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC001343655869 889944757 /nfs/dbraw/zinc/94/47/57/889944757.db2.gz PCPXNYJXZWLVRE-ZTVLKNOQSA-N 2 0 253.346 -0.570 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NCC[C@@H]1CCC[NH2+]CC1 ZINC001343764680 889963336 /nfs/dbraw/zinc/96/33/36/889963336.db2.gz KIBFPBNNZXLECS-CHWSQXEVSA-N 2 0 268.405 -0.214 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001343974467 889984935 /nfs/dbraw/zinc/98/49/35/889984935.db2.gz RJDIWADASDTSDJ-JTQLQIEISA-N 2 0 270.377 -0.621 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](C(=O)N[C@H]2COC3(C[NH2+]C3)C2)C1 ZINC001344010928 889990246 /nfs/dbraw/zinc/99/02/46/889990246.db2.gz GZFUFZBJXJZETQ-HBNTYKKESA-N 2 0 253.346 -0.249 20 0 CBADRP C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]([NH3+])c1ccccc1 ZINC001344082646 890001090 /nfs/dbraw/zinc/00/10/90/890001090.db2.gz YPBDBTHKXHNTET-ZBAXXZLZSA-N 2 0 263.341 -0.229 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC001344081839 890001256 /nfs/dbraw/zinc/00/12/56/890001256.db2.gz PGQCRDPRIIOQMB-FRRDWIJNSA-N 2 0 261.325 -0.850 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC001344115970 890002511 /nfs/dbraw/zinc/00/25/11/890002511.db2.gz PZANCQGRUPGLEM-WOPDTQHZSA-N 2 0 257.378 -0.341 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001344128461 890005935 /nfs/dbraw/zinc/00/59/35/890005935.db2.gz QCZOMSIHBOWBOP-MROQNXINSA-N 2 0 294.399 -0.702 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001344374761 890018828 /nfs/dbraw/zinc/01/88/28/890018828.db2.gz QEGZSDPWGNVRBX-RYUDHWBXSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccn(CCC[NH3+])n1 ZINC001344387574 890019314 /nfs/dbraw/zinc/01/93/14/890019314.db2.gz PUEYQQJPCFGXPY-VHSXEESVSA-N 2 0 251.334 -0.288 20 0 CBADRP C[C@@]1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](O)C[NH2+]1 ZINC001344447308 890025294 /nfs/dbraw/zinc/02/52/94/890025294.db2.gz FJKSLOOGEFVDHW-OJROKELRSA-N 2 0 267.373 -0.254 20 0 CBADRP O=C(CC[C@@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@@H]1CO ZINC001344520073 890035032 /nfs/dbraw/zinc/03/50/32/890035032.db2.gz WWFULZDDYZOXSC-NWDGAFQWSA-N 2 0 255.362 -0.441 20 0 CBADRP [NH3+][C@H](CO)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001344730380 890054013 /nfs/dbraw/zinc/05/40/13/890054013.db2.gz IJWKRHPPULWOKJ-RRKCRQDMSA-N 2 0 255.240 -0.956 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001344747984 890058745 /nfs/dbraw/zinc/05/87/45/890058745.db2.gz PQWFKWZMRPBKSZ-IJLUTSLNSA-N 2 0 266.389 -0.430 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCCC[C@H]1C[NH2+]C ZINC001344734216 890059114 /nfs/dbraw/zinc/05/91/14/890059114.db2.gz ZTQQTYOYRZWAMJ-GRYCIOLGSA-N 2 0 257.378 -0.197 20 0 CBADRP [NH3+]CCNCC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001344778096 890063594 /nfs/dbraw/zinc/06/35/94/890063594.db2.gz PKMQXRZWRGINNG-QWRGUYRKSA-N 2 0 272.418 -0.769 20 0 CBADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CCNCC[NH2+]CC1 ZINC001344963338 890086172 /nfs/dbraw/zinc/08/61/72/890086172.db2.gz OTKMOGQTVPLQHG-NWDGAFQWSA-N 2 0 256.394 -0.229 20 0 CBADRP C[NH2+]CCC(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001344963022 890087304 /nfs/dbraw/zinc/08/73/04/890087304.db2.gz LWFQGEOGNVDGND-LLVKDONJSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+][C@H](C(=O)N1CCNCC[NH2+]CC1)C1CCCCC1 ZINC001344989751 890090076 /nfs/dbraw/zinc/09/00/76/890090076.db2.gz VGEHRQOHFPMABD-ZDUSSCGKSA-N 2 0 268.405 -0.085 20 0 CBADRP C[NH2+][C@@H](C(=O)N1CC[C@H](CC[NH3+])C1)c1cnn(C)c1 ZINC001345000571 890091225 /nfs/dbraw/zinc/09/12/25/890091225.db2.gz WFFULEIWGPVFQP-CMPLNLGQSA-N 2 0 265.361 -0.122 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC001345098838 890100250 /nfs/dbraw/zinc/10/02/50/890100250.db2.gz WZKKXLLMRCMREI-ZDEQEGDKSA-N 2 0 258.362 -0.260 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001345138159 890102529 /nfs/dbraw/zinc/10/25/29/890102529.db2.gz AUQREMIAZQXIKG-CQSZACIVSA-N 2 0 266.389 -0.364 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCC[C@@H](C)[NH2+]C)C1CC1 ZINC001345180940 890108657 /nfs/dbraw/zinc/10/86/57/890108657.db2.gz TYPDGSMKVXRXEK-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC(C)(C)[NH+](C)C ZINC001345527876 890138507 /nfs/dbraw/zinc/13/85/07/890138507.db2.gz XRSSYLDUDANKFU-NEPJUHHUSA-N 2 0 268.405 -0.169 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001345545364 890141272 /nfs/dbraw/zinc/14/12/72/890141272.db2.gz OKQOCVVHOPUYTB-HAQNSBGRSA-N 2 0 255.362 -0.456 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCC[C@]12CC[NH2+]C2 ZINC001345627679 890149051 /nfs/dbraw/zinc/14/90/51/890149051.db2.gz YWTAIZWPAGEAIH-KGLIPLIRSA-N 2 0 267.373 -0.155 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC001345656006 890150731 /nfs/dbraw/zinc/15/07/31/890150731.db2.gz LKXIKHCQGSXYIY-WWKJKZQJSA-N 2 0 267.373 -0.011 20 0 CBADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001345856058 890172747 /nfs/dbraw/zinc/17/27/47/890172747.db2.gz OSPXTDMPTYLVCR-DTORHVGOSA-N 2 0 261.329 -0.653 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001345911096 890177775 /nfs/dbraw/zinc/17/77/75/890177775.db2.gz HQPDTNWTEXAMDI-YVECIDJPSA-N 2 0 296.415 -0.301 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCC(OC3C[NH2+]C3)CC2)C1 ZINC001345923778 890179839 /nfs/dbraw/zinc/17/98/39/890179839.db2.gz MBIUGKBUIZYVLB-AOOOYVTPSA-N 2 0 253.346 -0.297 20 0 CBADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001345955145 890185672 /nfs/dbraw/zinc/18/56/72/890185672.db2.gz CGJLIMSAEUUAKS-OCCSQVGLSA-N 3 0 268.405 -0.146 20 0 CBADRP C[NH2+][C@@H]1CCN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001345944727 890185995 /nfs/dbraw/zinc/18/59/95/890185995.db2.gz VDEHKEYTXSFFJP-NWDGAFQWSA-N 2 0 254.378 -0.523 20 0 CBADRP CC(C)[C@H]([NH3+])CCN(C)CC(=O)N1CC[NH2+]CC1 ZINC001346017147 890195564 /nfs/dbraw/zinc/19/55/64/890195564.db2.gz KNACRTUOLQAXHO-GFCCVEGCSA-N 3 0 256.394 -0.277 20 0 CBADRP CC(C)[NH2+]CC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001346228474 890243061 /nfs/dbraw/zinc/24/30/61/890243061.db2.gz JEQJCABBFISJNS-NEPJUHHUSA-N 2 0 256.394 -0.265 20 0 CBADRP [NH3+]Cc1ccc2nc(C(=O)N3CC[C@@H]([NH3+])C3)cn2c1 ZINC001346056946 890208017 /nfs/dbraw/zinc/20/80/17/890208017.db2.gz GGKZTTMDRJSMGC-SNVBAGLBSA-N 2 0 259.313 -0.034 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC001346104660 890214959 /nfs/dbraw/zinc/21/49/59/890214959.db2.gz CPPKLWDJYQYFEL-OCCSQVGLSA-N 2 0 266.389 -0.650 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCN2CCCCC2)CC1 ZINC001346183093 890232550 /nfs/dbraw/zinc/23/25/50/890232550.db2.gz YDVRJGOLWSPGBX-OAHLLOKOSA-N 2 0 284.448 -0.330 20 0 CBADRP CC[NH+]1CCN(CC[NH2+]C[C@H](O)CSC)CC1 ZINC001346181969 890233124 /nfs/dbraw/zinc/23/31/24/890233124.db2.gz TUOIFWWLEFLTJK-LBPRGKRZSA-N 2 0 261.435 -0.063 20 0 CBADRP CCOC[C@@H](O)C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC001346204221 890237765 /nfs/dbraw/zinc/23/77/65/890237765.db2.gz QXOYRHZRFOJPFQ-STQMWFEESA-N 2 0 259.394 -0.391 20 0 CBADRP CCOC[C@H](O)C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC001346204218 890240122 /nfs/dbraw/zinc/24/01/22/890240122.db2.gz QXOYRHZRFOJPFQ-CHWSQXEVSA-N 2 0 259.394 -0.391 20 0 CBADRP C[C@@H](NC(=O)C12CC(C1)C[NH2+]2)[C@@H]1C[N@H+](C)CCN1C ZINC001346229678 890248267 /nfs/dbraw/zinc/24/82/67/890248267.db2.gz WFXIZHMNSNQWAX-JJMZSNKZSA-N 2 0 266.389 -0.511 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001346280159 890257041 /nfs/dbraw/zinc/25/70/41/890257041.db2.gz FEZOOMIGYYXKRG-UHFFFAOYSA-N 2 0 296.375 -0.939 20 0 CBADRP C[C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC001346333136 890270293 /nfs/dbraw/zinc/27/02/93/890270293.db2.gz PGGIIHMNGUWGGE-KBPBESRZSA-N 2 0 299.463 -0.735 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)N2CCNCC[NH2+]CC2)CC[NH2+]1 ZINC001346490639 890303746 /nfs/dbraw/zinc/30/37/46/890303746.db2.gz OVYNYQKDWNIYPL-RYUDHWBXSA-N 2 0 269.393 -0.669 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001346488505 890305257 /nfs/dbraw/zinc/30/52/57/890305257.db2.gz BMTAJFXUPUTBLT-RRKCRQDMSA-N 2 0 254.256 -0.135 20 0 CBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCNCC[NH2+]CC1 ZINC001346501423 890306613 /nfs/dbraw/zinc/30/66/13/890306613.db2.gz OAPGCZNFMWKGKB-MNOVXSKESA-N 2 0 257.382 -0.683 20 0 CBADRP CC[NH+](CC)CC(=O)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001448884994 913439042 /nfs/dbraw/zinc/43/90/42/913439042.db2.gz ORWXHUTWSJFTAO-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP CCO[C@@H](CNC(=O)N1CC[NH2+]CC1)C[NH+](C)C ZINC001346584551 890324636 /nfs/dbraw/zinc/32/46/36/890324636.db2.gz OGOSXZIIHNVNFE-NSHDSACASA-N 2 0 258.366 -0.432 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCCOC1 ZINC001448889576 913442578 /nfs/dbraw/zinc/44/25/78/913442578.db2.gz NVFATSJTDJNTHL-QWHCGFSZSA-N 2 0 287.404 -0.569 20 0 CBADRP C[NH+]1CCC(CC(=O)NC[C@@H](CO)[NH2+]CCF)CC1 ZINC001448911572 913454775 /nfs/dbraw/zinc/45/47/75/913454775.db2.gz NZYYDMOVCJIUSK-LBPRGKRZSA-N 2 0 275.368 -0.246 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@H]1CCC[NH+](C)C1 ZINC001347603819 890486128 /nfs/dbraw/zinc/48/61/28/890486128.db2.gz RZHTWIXLLQQNJG-AGIUHOORSA-N 2 0 266.389 -0.415 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC001348575371 890652699 /nfs/dbraw/zinc/65/26/99/890652699.db2.gz XOZYZAJELLCYAS-AGIUHOORSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001348573547 890652894 /nfs/dbraw/zinc/65/28/94/890652894.db2.gz JNTVHECUEGHQPD-RWMBFGLXSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001449025686 913483823 /nfs/dbraw/zinc/48/38/23/913483823.db2.gz VDHANNKDAAGATP-NEPJUHHUSA-N 2 0 284.404 -0.348 20 0 CBADRP C[NH2+]CCCN(C)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001349092997 890758658 /nfs/dbraw/zinc/75/86/58/890758658.db2.gz GINSALQFXANUPC-NSHDSACASA-N 2 0 280.376 -0.116 20 0 CBADRP CN(CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)CC[NH+](C)C ZINC001449007084 913485385 /nfs/dbraw/zinc/48/53/85/913485385.db2.gz SBUMPJONOMXBCZ-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[N@H+](CC(=O)NCCNC(=O)[C@H]1CCC[NH+]1C)C1CCC1 ZINC001349200951 890776554 /nfs/dbraw/zinc/77/65/54/890776554.db2.gz NYZULSSSJPFZIG-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C3([NH3+])CCC3)C[C@H]2[NH3+])cn1 ZINC001349270619 890786658 /nfs/dbraw/zinc/78/66/58/890786658.db2.gz JVPPOJIIIAOYJQ-WDEREUQCSA-N 2 0 263.345 -0.445 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001349274267 890786742 /nfs/dbraw/zinc/78/67/42/890786742.db2.gz WGLWHBYYNKRSCQ-MWLCHTKSSA-N 2 0 266.349 -0.505 20 0 CBADRP C/C(=C\C(=O)NC[C@@H]1CC[N@H+]1C)C(=O)NC[C@@H]1CC[NH+]1C ZINC001349300576 890790742 /nfs/dbraw/zinc/79/07/42/890790742.db2.gz SFUHHJILIQHDMH-DPGNGVPNSA-N 2 0 294.399 -0.427 20 0 CBADRP COC1(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CC[NH2+]CC1 ZINC001349385874 890801820 /nfs/dbraw/zinc/80/18/20/890801820.db2.gz DNFPDMFAHIHYHW-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC001349457911 890818073 /nfs/dbraw/zinc/81/80/73/890818073.db2.gz KOQYIPWMQOBKCO-JTQLQIEISA-N 2 0 266.349 -0.692 20 0 CBADRP CC[C@@H](C(=O)NCCNC(=O)CC[NH+](C)C)[NH+](C)C ZINC001349551003 890834817 /nfs/dbraw/zinc/83/48/17/890834817.db2.gz ZJOPFIIFBKCIDC-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001349607569 890845996 /nfs/dbraw/zinc/84/59/96/890845996.db2.gz CIOQYFYICDXLKR-NXEZZACHSA-N 2 0 252.318 -0.135 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)=NO1 ZINC001349619903 890851961 /nfs/dbraw/zinc/85/19/61/890851961.db2.gz FHTGAWFMPPKFEZ-PEXQALLHSA-N 2 0 252.318 -0.509 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001349816037 890897949 /nfs/dbraw/zinc/89/79/49/890897949.db2.gz MHKGKPXLYSYWQO-SNVBAGLBSA-N 2 0 269.349 -0.253 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC001350031946 890925780 /nfs/dbraw/zinc/92/57/80/890925780.db2.gz NCPDIJVKFYLCGD-ZDEQEGDKSA-N 2 0 294.399 -0.417 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001350058841 890931296 /nfs/dbraw/zinc/93/12/96/890931296.db2.gz VCDTUCSUVQORRR-GRYCIOLGSA-N 2 0 296.415 -0.171 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@H]2CC23CC[NH2+]CC3)nn1 ZINC001350406075 890979393 /nfs/dbraw/zinc/97/93/93/890979393.db2.gz ZMPBKKNQHLMEPY-JTQLQIEISA-N 2 0 264.333 -0.891 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC001350404886 890979513 /nfs/dbraw/zinc/97/95/13/890979513.db2.gz FZXXSFQAQUMQTJ-UHFFFAOYSA-N 2 0 261.329 -0.381 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001350405756 890980538 /nfs/dbraw/zinc/98/05/38/890980538.db2.gz UXDYXTAJPYGBKH-JTQLQIEISA-N 2 0 253.306 -0.760 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001350420366 890982869 /nfs/dbraw/zinc/98/28/69/890982869.db2.gz XMAKQTSCJJHMND-RKDXNWHRSA-N 2 0 251.334 -0.176 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)CC(N)=O)CC1 ZINC001350525569 890999100 /nfs/dbraw/zinc/99/91/00/890999100.db2.gz UKSBMQKGMNLWBC-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP CN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)CC[NH+](C)C ZINC001351509364 891147063 /nfs/dbraw/zinc/14/70/63/891147063.db2.gz GOVOCTVZNLGYKA-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001351543923 891151989 /nfs/dbraw/zinc/15/19/89/891151989.db2.gz CSJCXNHYMXZOIM-TUAOUCFPSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)CCC[NH+](C)C ZINC001351731681 891177349 /nfs/dbraw/zinc/17/73/49/891177349.db2.gz NDNNGORECGWPLF-CHWSQXEVSA-N 2 0 268.405 -0.215 20 0 CBADRP C[NH2+]C[C@](C)(O)CN1CCC([NH+]2CCN(C)CC2)CC1 ZINC001351798619 891189805 /nfs/dbraw/zinc/18/98/05/891189805.db2.gz APUGGHRQLNBYCF-HNNXBMFYSA-N 2 0 284.448 -0.331 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001352095254 891227592 /nfs/dbraw/zinc/22/75/92/891227592.db2.gz KNUJLSXYZPTJGL-WCFLWFBJSA-N 2 0 267.373 -0.179 20 0 CBADRP [NH3+]Cc1ncc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC001352848691 891308247 /nfs/dbraw/zinc/30/82/47/891308247.db2.gz BNAUZUFLPPXSRM-ZWNOBZJWSA-N 2 0 261.329 -0.111 20 0 CBADRP C[C@@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)[NH+](C)C ZINC001352901431 891318666 /nfs/dbraw/zinc/31/86/66/891318666.db2.gz UXUPACPPPXVRFI-LBPRGKRZSA-N 2 0 268.405 -0.358 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001353075864 891356790 /nfs/dbraw/zinc/35/67/90/891356790.db2.gz FFZUCQMCFJPFDI-FXQIFTODSA-N 2 0 269.267 -0.444 20 0 CBADRP [NH3+]CCN(CC(F)(F)F)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001353091922 891359372 /nfs/dbraw/zinc/35/93/72/891359372.db2.gz DYRYSCOIEFRIKX-JIGDXULJSA-N 2 0 251.252 -0.199 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001353121683 891362772 /nfs/dbraw/zinc/36/27/72/891362772.db2.gz KIJGMQHXNWYHSU-GMTAPVOTSA-N 2 0 280.372 -0.807 20 0 CBADRP Nc1cc[nH+]c(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC001353162653 891370445 /nfs/dbraw/zinc/37/04/45/891370445.db2.gz OPGIQKHSOXHPJT-ZANVPECISA-N 2 0 262.313 -0.484 20 0 CBADRP C[N@H+](CCCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CC1 ZINC001353261438 891386672 /nfs/dbraw/zinc/38/66/72/891386672.db2.gz SMJNJTDUBRBEMO-AAEUAGOBSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001353261093 891387283 /nfs/dbraw/zinc/38/72/83/891387283.db2.gz RASRWQWPOQFBTQ-MROQNXINSA-N 2 0 296.415 -0.077 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001353244689 891387763 /nfs/dbraw/zinc/38/77/63/891387763.db2.gz GKJZEBMONVARSE-RWMBFGLXSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@@H+]1C ZINC001353258230 891388261 /nfs/dbraw/zinc/38/82/61/891388261.db2.gz AVQNPPWVPQPWRE-USZNOCQGSA-N 2 0 280.372 -0.842 20 0 CBADRP CC[NH+]1CCN(CC[NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001353271449 891391283 /nfs/dbraw/zinc/39/12/83/891391283.db2.gz ANCZJEHZQWUZQA-AWEZNQCLSA-N 2 0 281.404 -0.529 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001353311093 891401755 /nfs/dbraw/zinc/40/17/55/891401755.db2.gz RIGRVDBZNFEYFK-HUVAQWKNSA-N 2 0 282.388 -0.704 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC[C@H]21 ZINC001353325379 891404971 /nfs/dbraw/zinc/40/49/71/891404971.db2.gz XINJRWFNCRCOOM-FDYHWXHSSA-N 2 0 294.399 -0.608 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)N[C@H](C)CC[NH3+] ZINC001353426127 891425135 /nfs/dbraw/zinc/42/51/35/891425135.db2.gz VSAXKOFBISPCFQ-MNOVXSKESA-N 2 0 258.366 -0.256 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001353431341 891425160 /nfs/dbraw/zinc/42/51/60/891425160.db2.gz BSKJXPJMFPDJHR-GFCCVEGCSA-N 2 0 284.404 -0.358 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)N1CC[NH2+]C[C@@H]1COC ZINC001353431200 891426225 /nfs/dbraw/zinc/42/62/25/891426225.db2.gz UMPBXBQRVPAGBH-GHMZBOCLSA-N 2 0 258.366 -0.386 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC001353481785 891433020 /nfs/dbraw/zinc/43/30/20/891433020.db2.gz HSVLZPRLJYVOEM-CHWSQXEVSA-N 2 0 268.405 -0.262 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)C[C@H](O)C[NH3+])n1 ZINC001353525847 891439609 /nfs/dbraw/zinc/43/96/09/891439609.db2.gz DAGXDBJOXYOFGP-VIFPVBQESA-N 2 0 255.322 -0.907 20 0 CBADRP C[NH+]1CCC(CNC(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001353518838 891439723 /nfs/dbraw/zinc/43/97/23/891439723.db2.gz RXURZTFEZLYWBA-UHFFFAOYSA-N 2 0 255.362 -0.456 20 0 CBADRP CN1CCN(C(=O)N[C@H]2C[NH2+]CC2(C)C)[C@@H](C[NH3+])C1 ZINC001353510994 891440670 /nfs/dbraw/zinc/44/06/70/891440670.db2.gz DRVKPDCPAHDALM-QWRGUYRKSA-N 2 0 269.393 -0.731 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])C(C)(C)O)CC1 ZINC001353535652 891444519 /nfs/dbraw/zinc/44/45/19/891444519.db2.gz VMVKTZKEQYSLSV-GFCCVEGCSA-N 2 0 287.404 -0.298 20 0 CBADRP C[C@@H](CNC(=O)CC1CC([NH3+])C1)N1CC[NH+](C)CC1 ZINC001353584364 891450090 /nfs/dbraw/zinc/45/00/90/891450090.db2.gz VGSHQOXGNPNRFA-HIFPTAJRSA-N 2 0 268.405 -0.134 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N[C@@H]2CC23CC[NH2+]CC3)C1=O ZINC001353655004 891455335 /nfs/dbraw/zinc/45/53/35/891455335.db2.gz NCTJVVUGSUROOM-VXGBXAGGSA-N 2 0 294.399 -0.558 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C[C@@H](O)C[NH2+]1 ZINC001353654405 891455397 /nfs/dbraw/zinc/45/53/97/891455397.db2.gz IGWUUVAKHJBZOZ-SRRSOLGSSA-N 2 0 253.346 -0.690 20 0 CBADRP C[NH2+]C1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCC1 ZINC001353647099 891456708 /nfs/dbraw/zinc/45/67/08/891456708.db2.gz ZNMWREIXXTWDOC-LBPRGKRZSA-N 2 0 266.389 -0.365 20 0 CBADRP [NH3+]CCN(CCc1ccccc1)C(=O)C[C@H](O)C[NH3+] ZINC001353646873 891456894 /nfs/dbraw/zinc/45/68/94/891456894.db2.gz VVGUXBAVLLFAQE-ZDUSSCGKSA-N 2 0 265.357 -0.274 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)C[C@]1(O)CCC[NH2+]C1)C(F)F ZINC001353656225 891458730 /nfs/dbraw/zinc/45/87/30/891458730.db2.gz WOLHWNIIADQOEQ-LDYMZIIASA-N 2 0 265.304 -0.410 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)C23CCC(CC2)[NH2+]3)CCCO1 ZINC001353893920 891485004 /nfs/dbraw/zinc/48/50/04/891485004.db2.gz JHSBKVFDYLMMFG-AKJDGMEZSA-N 2 0 253.346 -0.153 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001449317510 913569904 /nfs/dbraw/zinc/56/99/04/913569904.db2.gz ISHWFCYXLBVJMD-NSHDSACASA-N 2 0 286.420 -0.195 20 0 CBADRP C[C@@]1(NC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)CC[NH2+]C1 ZINC001354344396 891568651 /nfs/dbraw/zinc/56/86/51/891568651.db2.gz WGMQMQQFMANFLB-OLZOCXBDSA-N 2 0 266.345 -0.247 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC001354461409 891583639 /nfs/dbraw/zinc/58/36/39/891583639.db2.gz HGUFEGXVMXLVDD-GVXVVHGQSA-N 2 0 255.362 -0.585 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001354462923 891584413 /nfs/dbraw/zinc/58/44/13/891584413.db2.gz SUKJWVZYRAGMQQ-LLVKDONJSA-N 2 0 255.362 -0.347 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC001354461407 891585196 /nfs/dbraw/zinc/58/51/96/891585196.db2.gz HGUFEGXVMXLVDD-DMDPSCGWSA-N 2 0 255.362 -0.585 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001354513081 891589225 /nfs/dbraw/zinc/58/92/25/891589225.db2.gz YFDKIVZFQIUUKZ-GWCFXTLKSA-N 2 0 268.361 -0.384 20 0 CBADRP C[NH2+]CCOc1cccc(C(=O)N2CC[NH2+]C[C@@H]2CO)c1 ZINC001354594322 891600096 /nfs/dbraw/zinc/60/00/96/891600096.db2.gz REEJCZQATLTPBC-CYBMUJFWSA-N 2 0 293.367 -0.309 20 0 CBADRP CCN(C(=O)C[C@]1(O)CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC001354645336 891603039 /nfs/dbraw/zinc/60/30/39/891603039.db2.gz RTWSQVBBZCOXJU-WCQYABFASA-N 2 0 255.362 -0.299 20 0 CBADRP [NH3+][C@@H](C(=O)NCCN1CCC([NH3+])CC1)C1CCC1 ZINC001354771180 891614980 /nfs/dbraw/zinc/61/49/80/891614980.db2.gz RCMZXYXLWCXOFE-GFCCVEGCSA-N 2 0 254.378 -0.347 20 0 CBADRP C[NH2+][C@H](CNC(=O)[C@@H]([NH3+])COC)Cc1ccccc1 ZINC001354893259 891626490 /nfs/dbraw/zinc/62/64/90/891626490.db2.gz KMURJKAOXVKVOO-STQMWFEESA-N 2 0 265.357 -0.093 20 0 CBADRP COCC[NH2+]CC(=O)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001354893293 891628916 /nfs/dbraw/zinc/62/89/16/891628916.db2.gz KOWWCSCQFONDRB-CQSZACIVSA-N 2 0 293.371 -0.781 20 0 CBADRP O=C(c1ccc2c(n1)C[NH2+]CC2)N1CCNCC[NH2+]CC1 ZINC001355015784 891636990 /nfs/dbraw/zinc/63/69/90/891636990.db2.gz JEIUQXPZDMNVPW-UHFFFAOYSA-N 2 0 289.383 -0.638 20 0 CBADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CCNCC[NH2+]CC1 ZINC001355016940 891637494 /nfs/dbraw/zinc/63/74/94/891637494.db2.gz XMLXFOBLZQIPFI-GFCCVEGCSA-N 2 0 256.394 -0.229 20 0 CBADRP O=C(c1cccc2c1CC[NH2+]C2)N1CCNCC[NH2+]CC1 ZINC001355016328 891637601 /nfs/dbraw/zinc/63/76/01/891637601.db2.gz PCQVYALJHKTSNJ-UHFFFAOYSA-N 2 0 288.395 -0.033 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCC[C@]([NH3+])(CO)C1)c1ccccc1 ZINC001355042783 891640226 /nfs/dbraw/zinc/64/02/26/891640226.db2.gz LFMJJSUQDICQDD-TZMCWYRMSA-N 2 0 263.341 -0.001 20 0 CBADRP [NH3+]CC1(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC(O)C1 ZINC001355096092 891645213 /nfs/dbraw/zinc/64/52/13/891645213.db2.gz XVAFSCMCTHYMTB-KIENENRBSA-N 2 0 253.346 -0.846 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001355199617 891661638 /nfs/dbraw/zinc/66/16/38/891661638.db2.gz PSQBMVOHWQEBKA-DMDPSCGWSA-N 2 0 255.362 -0.265 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001355199618 891662613 /nfs/dbraw/zinc/66/26/13/891662613.db2.gz PSQBMVOHWQEBKA-LOWVWBTDSA-N 2 0 255.362 -0.265 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC1([NH3+])CC1 ZINC001355298156 891668631 /nfs/dbraw/zinc/66/86/31/891668631.db2.gz QMDMQHXVVDZAPI-UHFFFAOYSA-N 2 0 255.362 -0.048 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001355488576 891684774 /nfs/dbraw/zinc/68/47/74/891684774.db2.gz OWYBQXYWXLAAJY-KSLZLVKMSA-N 2 0 253.346 -0.238 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC001355559443 891689872 /nfs/dbraw/zinc/68/98/72/891689872.db2.gz PJCSGXBWYYAKDE-YRGRVCCFSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@]1(C(=O)N[C@H]2C[C@H]([NH3+])C23CCC3)C[NH2+]CCO1 ZINC001355695180 891698827 /nfs/dbraw/zinc/69/88/27/891698827.db2.gz HJNSJWAXHCQWCM-JBLDHEPKSA-N 2 0 253.346 -0.249 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2C[C@@H]([NH3+])C23CCC3)C[NH2+]CCO1 ZINC001355695175 891699507 /nfs/dbraw/zinc/69/95/07/891699507.db2.gz HJNSJWAXHCQWCM-CKYFFXLPSA-N 2 0 253.346 -0.249 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)C3(O)C[NH2+]C3)C[C@@H]2C1 ZINC001355709530 891701857 /nfs/dbraw/zinc/70/18/57/891701857.db2.gz XVCFKGJOWNYCLD-SDDRHHMPSA-N 2 0 267.373 -0.491 20 0 CBADRP Cn1[nH]c(C2CC[NH2+]CC2)nc1=NC(=O)CCC[NH3+] ZINC001355891832 891714625 /nfs/dbraw/zinc/71/46/25/891714625.db2.gz CMDNHEBZORWLJX-UHFFFAOYSA-N 2 0 266.349 -0.619 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)C1C[NH2+]C1 ZINC001356049954 891722370 /nfs/dbraw/zinc/72/23/70/891722370.db2.gz QICLDAUSKYSNOC-MWLCHTKSSA-N 2 0 263.345 -0.042 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001356092370 891725456 /nfs/dbraw/zinc/72/54/56/891725456.db2.gz RXGLQQHONQQVIN-XQQFMLRXSA-N 2 0 296.415 -0.408 20 0 CBADRP C[C@@H](NC(=O)C(C)(C)C[NH3+])[C@@H]1C[N@H+](C)CCN1C ZINC001356253700 891743153 /nfs/dbraw/zinc/74/31/53/891743153.db2.gz ORWWZLZUXORCBM-MNOVXSKESA-N 2 0 256.394 -0.278 20 0 CBADRP C[C@@H](NC(=O)CC[NH2+]C1CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001356252699 891744327 /nfs/dbraw/zinc/74/43/27/891744327.db2.gz JRQRAANKDDEGDX-YPMHNXCESA-N 2 0 268.405 -0.121 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC001356438502 891760628 /nfs/dbraw/zinc/76/06/28/891760628.db2.gz PPDPVMREUWOLFL-CYDGBPFRSA-N 2 0 294.399 -0.417 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001356498500 891772780 /nfs/dbraw/zinc/77/27/80/891772780.db2.gz GJYHJKOMJJNBDL-WDEREUQCSA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC001356631211 891782524 /nfs/dbraw/zinc/78/25/24/891782524.db2.gz VDNCXVMOJQKKHE-KXNHARMFSA-N 2 0 257.378 -0.211 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC001356607018 891783184 /nfs/dbraw/zinc/78/31/84/891783184.db2.gz BECSIIZCQHRHLR-SNVBAGLBSA-N 2 0 257.334 -0.617 20 0 CBADRP C[C@H]1C[C@H](NC(=O)N2CCNCC[NH2+]CC2)CC[N@@H+]1C ZINC001357241680 891860560 /nfs/dbraw/zinc/86/05/60/891860560.db2.gz JYFCOFRZEDMAPB-QWHCGFSZSA-N 2 0 283.420 -0.327 20 0 CBADRP CC(C)[C@H](CN(C)C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001357243682 891863004 /nfs/dbraw/zinc/86/30/04/891863004.db2.gz VGKIKCZRYNKFOR-CABCVRRESA-N 2 0 286.464 -0.230 20 0 CBADRP CC(C)[C@@H](CN(C)C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001357243689 891866237 /nfs/dbraw/zinc/86/62/37/891866237.db2.gz VGKIKCZRYNKFOR-HUUCEWRRSA-N 2 0 286.464 -0.230 20 0 CBADRP [NH3+]CC1(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC(O)C1 ZINC001357361035 891872311 /nfs/dbraw/zinc/87/23/11/891872311.db2.gz BJSBYRASTFIWSG-JKDOVBDQSA-N 2 0 267.373 -0.313 20 0 CBADRP [NH3+][C@H](CO)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC001357365569 891874559 /nfs/dbraw/zinc/87/45/59/891874559.db2.gz AJLRSVKNQXFWMI-VXGBXAGGSA-N 2 0 255.362 -0.217 20 0 CBADRP C[C@@H]1C[NH+](CCCCNC(=O)C[C@H](O)C[NH3+])C[C@@H](C)O1 ZINC001357366148 891876278 /nfs/dbraw/zinc/87/62/78/891876278.db2.gz FFBYBGGFIIMTOU-UPJWGTAASA-N 2 0 287.404 -0.298 20 0 CBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]([NH3+])CO ZINC001357375774 891879572 /nfs/dbraw/zinc/87/95/72/891879572.db2.gz KOSBBUIQAZMRDV-WRWGMCAJSA-N 2 0 257.378 -0.211 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)C1 ZINC001357396542 891884391 /nfs/dbraw/zinc/88/43/91/891884391.db2.gz JSLOKSSFFZIITH-OFTGVCEQSA-N 2 0 267.373 -0.193 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC001357405475 891884484 /nfs/dbraw/zinc/88/44/84/891884484.db2.gz RTUKRDWFYDBRBT-YPMHNXCESA-N 2 0 269.389 -0.101 20 0 CBADRP C[N@@H+]1CCN(C(=O)[C@H]([NH3+])CO)C2(CCCCC2)C1 ZINC001357428656 891889051 /nfs/dbraw/zinc/88/90/51/891889051.db2.gz QNJNYKJTHHCVBL-LLVKDONJSA-N 2 0 255.362 -0.217 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001357429227 891890044 /nfs/dbraw/zinc/89/00/44/891890044.db2.gz YBSCJYALATWFNV-ZBOXLXRLSA-N 2 0 255.362 -0.456 20 0 CBADRP C[NH+](C)C1(CNC(=O)CNCC[NH3+])Cc2ccccc2C1 ZINC001357415517 891890515 /nfs/dbraw/zinc/89/05/15/891890515.db2.gz YSFJFXLFXZOSPF-UHFFFAOYSA-N 2 0 290.411 -0.250 20 0 CBADRP C[NH2+]CCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001357433892 891894611 /nfs/dbraw/zinc/89/46/11/891894611.db2.gz HUVPIDHTSIXCSE-OLZOCXBDSA-N 2 0 284.404 -0.164 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)NCC1=CC[NH2+]CC1 ZINC001357453607 891895002 /nfs/dbraw/zinc/89/50/02/891895002.db2.gz PKCQYTRNXFQPPE-CYBMUJFWSA-N 2 0 253.346 -0.473 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCNCC[NH2+]CC1 ZINC001357462323 891898341 /nfs/dbraw/zinc/89/83/41/891898341.db2.gz FSPIXTYUGKSMQR-QWHCGFSZSA-N 2 0 283.420 -0.292 20 0 CBADRP [NH3+]CCc1ccc(C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC001357453893 891898913 /nfs/dbraw/zinc/89/89/13/891898913.db2.gz RZXHZYYHEAXLAR-ZDUSSCGKSA-N 2 0 263.341 -0.013 20 0 CBADRP C[C@]1(C(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@@H](O)C[NH2+]1 ZINC001357475028 891904584 /nfs/dbraw/zinc/90/45/84/891904584.db2.gz SICWUVUCDFKQOA-DGCLKSJQSA-N 2 0 267.373 -0.299 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001357517498 891911253 /nfs/dbraw/zinc/91/12/53/891911253.db2.gz HSRVREUQWXREAD-JTQLQIEISA-N 2 0 258.366 -0.480 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC001357642732 891922941 /nfs/dbraw/zinc/92/29/41/891922941.db2.gz IMTGCBVFXAMIEP-WYUUTHIRSA-N 2 0 266.389 -0.383 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001357642729 891924102 /nfs/dbraw/zinc/92/41/02/891924102.db2.gz IMTGCBVFXAMIEP-DDHJBXDOSA-N 2 0 266.389 -0.383 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C[NH+]1CCC(CO)CC1 ZINC001357629230 891924211 /nfs/dbraw/zinc/92/42/11/891924211.db2.gz HANJLVVQHBHNET-UHFFFAOYSA-N 2 0 257.378 -0.241 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCC1(C[NH3+])CC1 ZINC001357802258 891935815 /nfs/dbraw/zinc/93/58/15/891935815.db2.gz ZHVJIVAIYLLONO-NWDGAFQWSA-N 2 0 266.389 -0.380 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)[C@H](C[NH3+])C1 ZINC001357861049 891939476 /nfs/dbraw/zinc/93/94/76/891939476.db2.gz IMIGDORMKFGCSI-FRRDWIJNSA-N 2 0 296.415 -0.231 20 0 CBADRP CC[NH+](CC)CCSCC(=O)NC[C@H](O)C[NH3+] ZINC001357864764 891939804 /nfs/dbraw/zinc/93/98/04/891939804.db2.gz KOWVRSHYCZFYFK-SNVBAGLBSA-N 2 0 263.407 -0.503 20 0 CBADRP [NH3+]C[C@@H](O)CNC(=O)c1cccc2c1OCC[NH2+]C2 ZINC001357865140 891940549 /nfs/dbraw/zinc/94/05/49/891940549.db2.gz NZHMKPGPHHIOMQ-SNVBAGLBSA-N 2 0 265.313 -0.782 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC001357856194 891940737 /nfs/dbraw/zinc/94/07/37/891940737.db2.gz NFOHJNYUSKEJGI-NBBOBHDQSA-N 2 0 255.318 -0.783 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CC1 ZINC001357846966 891941415 /nfs/dbraw/zinc/94/14/15/891941415.db2.gz PABFPCRGWJJKMW-SNVBAGLBSA-N 2 0 253.346 -0.425 20 0 CBADRP CN(CCOCC[NH3+])C(=O)c1cc2n(n1)CCC[C@@H]2[NH3+] ZINC001357945849 891945992 /nfs/dbraw/zinc/94/59/92/891945992.db2.gz RQVUYYKGTQCUKM-JTQLQIEISA-N 2 0 281.360 -0.276 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001357923397 891946817 /nfs/dbraw/zinc/94/68/17/891946817.db2.gz PAJBAQARSOTRPM-UHFFFAOYSA-N 2 0 298.387 -0.421 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001357979032 891954110 /nfs/dbraw/zinc/95/41/10/891954110.db2.gz DQLHYXCOCRUBJP-UXUKBGGZSA-N 2 0 267.373 -0.027 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001358001530 891957996 /nfs/dbraw/zinc/95/79/96/891957996.db2.gz QEYFFSLXWSDNBP-MXWKQRLJSA-N 2 0 269.345 -0.380 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001358024162 891958072 /nfs/dbraw/zinc/95/80/72/891958072.db2.gz QGLWBVRWLLXOLU-OLZOCXBDSA-N 2 0 263.341 -0.473 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001358000407 891958467 /nfs/dbraw/zinc/95/84/67/891958467.db2.gz LUPSXBRDYKWEIM-MBNYWOFBSA-N 2 0 267.373 -0.156 20 0 CBADRP CC(C)([NH3+])CCNC(=O)C[NH+]1CCC(CO)CC1 ZINC001358044849 891962084 /nfs/dbraw/zinc/96/20/84/891962084.db2.gz ROBKRXDPAJBHKR-UHFFFAOYSA-N 2 0 257.378 -0.066 20 0 CBADRP CN(C)c1cc[nH+]c(CNC(=O)C2(O)C[NH2+]C2)c1 ZINC001358110448 891971514 /nfs/dbraw/zinc/97/15/14/891971514.db2.gz OQHWKQCQBNNFFO-UHFFFAOYSA-N 2 0 250.302 -0.902 20 0 CBADRP [NH3+]CCOCC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001358129651 891975561 /nfs/dbraw/zinc/97/55/61/891975561.db2.gz BEHVBZSDCBZXPJ-HTQZYQBOSA-N 2 0 269.267 -0.300 20 0 CBADRP [NH3+][C@H](CC1CC1)C(=O)N1NC(=O)CC12CC[NH2+]CC2 ZINC001358182755 891979035 /nfs/dbraw/zinc/97/90/35/891979035.db2.gz CDGVNHWZFAPGLZ-SNVBAGLBSA-N 2 0 266.345 -0.501 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001358237197 891981226 /nfs/dbraw/zinc/98/12/26/891981226.db2.gz BWICEILPHNXSQD-BJEUDVBESA-N 2 0 267.373 -0.290 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)C1 ZINC001358238989 891981381 /nfs/dbraw/zinc/98/13/81/891981381.db2.gz VQQZQTXHDZHYEN-UHTWSYAYSA-N 2 0 253.346 -0.702 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001358223014 891982108 /nfs/dbraw/zinc/98/21/08/891982108.db2.gz CTQUDAGAGOVJFW-LBPRGKRZSA-N 2 0 285.388 -0.421 20 0 CBADRP C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001358239045 891981856 /nfs/dbraw/zinc/98/18/56/891981856.db2.gz WCMXJFWCGRNVJF-ZWNOBZJWSA-N 2 0 266.345 -0.100 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001358237198 891981905 /nfs/dbraw/zinc/98/19/05/891981905.db2.gz BWICEILPHNXSQD-GAOBKROLSA-N 2 0 267.373 -0.290 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001358237200 891982186 /nfs/dbraw/zinc/98/21/86/891982186.db2.gz BWICEILPHNXSQD-QRANAXIKSA-N 2 0 267.373 -0.290 20 0 CBADRP CC1(C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C[NH2+]C1 ZINC001358224003 891982385 /nfs/dbraw/zinc/98/23/85/891982385.db2.gz NRTXAUUNYDLUJP-LLVKDONJSA-N 2 0 267.373 -0.048 20 0 CBADRP C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001358239043 891982597 /nfs/dbraw/zinc/98/25/97/891982597.db2.gz WCMXJFWCGRNVJF-MFKMUULPSA-N 2 0 266.345 -0.100 20 0 CBADRP [NH3+]CCCC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001358212862 891983053 /nfs/dbraw/zinc/98/30/53/891983053.db2.gz GYFVTAIXOMOMDP-UHFFFAOYSA-N 2 0 256.394 -0.083 20 0 CBADRP C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001358239041 891983170 /nfs/dbraw/zinc/98/31/70/891983170.db2.gz WCMXJFWCGRNVJF-GWCFXTLKSA-N 2 0 266.345 -0.100 20 0 CBADRP [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001358239076 891983269 /nfs/dbraw/zinc/98/32/69/891983269.db2.gz WOIOPRROCBLYMV-RYUDHWBXSA-N 2 0 254.378 -0.475 20 0 CBADRP C[NH+](C)CC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001358212268 891983693 /nfs/dbraw/zinc/98/36/93/891983693.db2.gz BTHKLMGZOJXAEX-JTQLQIEISA-N 2 0 269.345 -0.651 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001358224701 891984042 /nfs/dbraw/zinc/98/40/42/891984042.db2.gz SKKRYVMVWUPKSA-LLVKDONJSA-N 2 0 254.378 -0.747 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC001358252069 891986072 /nfs/dbraw/zinc/98/60/72/891986072.db2.gz UBZWPMVASCWXHS-RYUDHWBXSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]C[C@H](C(=O)N1CCNCC[NH2+]CC1)c1ccc(F)cc1 ZINC001358240882 891986480 /nfs/dbraw/zinc/98/64/80/891986480.db2.gz ZIUZLDBZYFCXDL-AWEZNQCLSA-N 2 0 294.374 -0.111 20 0 CBADRP C[C@@H]1CN(C(=O)c2ccn(CCC[NH3+])n2)C[C@H]1[NH3+] ZINC001358259068 891986600 /nfs/dbraw/zinc/98/66/00/891986600.db2.gz KEKFWAMBRSJRSO-NXEZZACHSA-N 2 0 251.334 -0.349 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC001358393754 892001578 /nfs/dbraw/zinc/00/15/78/892001578.db2.gz KIWGMSMXMUBLQN-DGCLKSJQSA-N 2 0 255.362 -0.048 20 0 CBADRP CN1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC[N@H+](C)CC1 ZINC001358445211 892007546 /nfs/dbraw/zinc/00/75/46/892007546.db2.gz XHICPSXMMULABY-CYBMUJFWSA-N 2 0 284.404 -0.929 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001362282753 892564741 /nfs/dbraw/zinc/56/47/41/892564741.db2.gz GIXZZAGOTUGLCY-CHWSQXEVSA-N 2 0 286.395 -0.218 20 0 CBADRP CCC[N@H+](C)CC(=O)NC1CN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001450439279 913695871 /nfs/dbraw/zinc/69/58/71/913695871.db2.gz FLJOPGILLNHEJM-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP CCN1CC[C@H]1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC001450605663 913720727 /nfs/dbraw/zinc/72/07/27/913720727.db2.gz RDCDDJCLRZBVNC-NEPJUHHUSA-N 2 0 255.362 -0.347 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001363489962 893731219 /nfs/dbraw/zinc/73/12/19/893731219.db2.gz KVUISDMNDXHYSN-HIFRSBDPSA-N 2 0 297.399 -0.579 20 0 CBADRP OC[C@H](O)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001363854642 894062406 /nfs/dbraw/zinc/06/24/06/894062406.db2.gz WFOUMCQQFOGDAY-CYBMUJFWSA-N 2 0 272.389 -0.348 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)C(C)(C)O)CC2)C1 ZINC001364361396 894361747 /nfs/dbraw/zinc/36/17/47/894361747.db2.gz ZKSMWKYWJSJCBF-KGLIPLIRSA-N 2 0 285.432 -0.170 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001365121652 894768856 /nfs/dbraw/zinc/76/88/56/894768856.db2.gz LXMIMFNODUEYAH-UMVBOHGHSA-N 2 0 281.400 -0.101 20 0 CBADRP Cc1ncc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(N)n1 ZINC001365189415 894806548 /nfs/dbraw/zinc/80/65/48/894806548.db2.gz UCFHCLNPDKKASL-UHFFFAOYSA-N 2 0 294.403 -0.067 20 0 CBADRP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H](O)C(C)(C)O)CCO2 ZINC001365318465 894896030 /nfs/dbraw/zinc/89/60/30/894896030.db2.gz QYLKEMKQRFIBLO-GFCCVEGCSA-N 2 0 272.389 -0.085 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CCCN(CC(=O)NC)CC1 ZINC001365331503 894909588 /nfs/dbraw/zinc/90/95/88/894909588.db2.gz FNDNYQMLDXKJGJ-CYBMUJFWSA-N 2 0 286.420 -0.947 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001365815670 895126114 /nfs/dbraw/zinc/12/61/14/895126114.db2.gz AJMAYUUSFICDBH-BETUJISGSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001365849336 895132324 /nfs/dbraw/zinc/13/23/24/895132324.db2.gz WDAPDYAVGCFWAD-JHJVBQTASA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001366050063 895179686 /nfs/dbraw/zinc/17/96/86/895179686.db2.gz QXJYGEMBQGOJEP-LBPRGKRZSA-N 2 0 296.415 -0.441 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001366089975 895188639 /nfs/dbraw/zinc/18/86/39/895188639.db2.gz BVBCKSRXKLGERM-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001366097346 895189137 /nfs/dbraw/zinc/18/91/37/895189137.db2.gz GVMMOZGLSAARPR-HZSPNIEDSA-N 2 0 299.415 -0.474 20 0 CBADRP CCn1nncc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001366100543 895191081 /nfs/dbraw/zinc/19/10/81/895191081.db2.gz XQBWVGUJYQSBKQ-LBPRGKRZSA-N 2 0 294.403 -0.060 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001366103042 895191230 /nfs/dbraw/zinc/19/12/30/895191230.db2.gz PPPHRKVYRISSBO-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001366100434 895191322 /nfs/dbraw/zinc/19/13/22/895191322.db2.gz WPKALZWSCIMBJJ-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001366104458 895191954 /nfs/dbraw/zinc/19/19/54/895191954.db2.gz KBAPQUQVEHKIGT-IHRRRGAJSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001366098322 895192034 /nfs/dbraw/zinc/19/20/34/895192034.db2.gz OGWXZBMCXYYVRW-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001366118512 895197809 /nfs/dbraw/zinc/19/78/09/895197809.db2.gz OMTOOIOQHUZYHY-IJLUTSLNSA-N 2 0 282.388 -0.547 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001366123226 895198252 /nfs/dbraw/zinc/19/82/52/895198252.db2.gz CFITZYRGJAGQBV-AVGNSLFASA-N 2 0 296.415 -0.156 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001366131074 895200776 /nfs/dbraw/zinc/20/07/76/895200776.db2.gz GCRDZPKAOJQRLE-XUXIUFHCSA-N 2 0 299.415 -0.428 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001366131890 895201449 /nfs/dbraw/zinc/20/14/49/895201449.db2.gz PHBVZOPNANRRPK-OBJOEFQTSA-N 2 0 296.415 -0.171 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](O)COC)C1)[NH+](C)C ZINC001366130523 895203059 /nfs/dbraw/zinc/20/30/59/895203059.db2.gz DCHOLMIVMRJYEW-ZDEQEGDKSA-N 2 0 287.404 -0.429 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001366142436 895204547 /nfs/dbraw/zinc/20/45/47/895204547.db2.gz OJEVYYPYTVRDQS-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001366182051 895216228 /nfs/dbraw/zinc/21/62/28/895216228.db2.gz ANQXNIXFOOAZQH-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001366259937 895239921 /nfs/dbraw/zinc/23/99/21/895239921.db2.gz BHOGALJMQLDUFB-RYUDHWBXSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N(C)C ZINC001366356925 895291347 /nfs/dbraw/zinc/29/13/47/895291347.db2.gz JXPYULBBTPQSDC-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001366347397 895291846 /nfs/dbraw/zinc/29/18/46/895291846.db2.gz QMEFAJFOMRGLCB-NEPJUHHUSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+][C@@H](C)C(N)=O ZINC001366364353 895295523 /nfs/dbraw/zinc/29/55/23/895295523.db2.gz NXRWKRFNVGGVBS-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001366395995 895309753 /nfs/dbraw/zinc/30/97/53/895309753.db2.gz ATPVFOCKUMOPHW-NSHDSACASA-N 2 0 295.391 -0.900 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001366411618 895312688 /nfs/dbraw/zinc/31/26/88/895312688.db2.gz MHLNQLZIFMOLIP-NEPJUHHUSA-N 2 0 282.388 -0.748 20 0 CBADRP Cn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001366401471 895313129 /nfs/dbraw/zinc/31/31/29/895313129.db2.gz MJHRVRBEMBBEMV-LBPRGKRZSA-N 2 0 294.403 -0.295 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001366401276 895313223 /nfs/dbraw/zinc/31/32/23/895313223.db2.gz LMCCWGGXAYDMMM-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001366416834 895317117 /nfs/dbraw/zinc/31/71/17/895317117.db2.gz VBXQCUGHWZCPFX-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC(N)=O ZINC001366471827 895326535 /nfs/dbraw/zinc/32/65/35/895326535.db2.gz FUQJRXSPCKOEHU-LLVKDONJSA-N 2 0 282.388 -0.416 20 0 CBADRP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H]1CCNC1=O ZINC001366501317 895335234 /nfs/dbraw/zinc/33/52/34/895335234.db2.gz VWIXKOIXMSBYLQ-NWDGAFQWSA-N 2 0 294.399 -0.545 20 0 CBADRP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H]1CCNC1=O ZINC001366501327 895336429 /nfs/dbraw/zinc/33/64/29/895336429.db2.gz VWIXKOIXMSBYLQ-VXGBXAGGSA-N 2 0 294.399 -0.545 20 0 CBADRP CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)NC)[NH+](C)C ZINC001366508748 895338694 /nfs/dbraw/zinc/33/86/94/895338694.db2.gz LHMQJEDSWZKXQC-WDEREUQCSA-N 2 0 272.393 -0.443 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCN(C)C1=O ZINC001366602634 895405114 /nfs/dbraw/zinc/40/51/14/895405114.db2.gz HFUGQMVIUMULBE-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CCNC1=O ZINC001366613809 895409547 /nfs/dbraw/zinc/40/95/47/895409547.db2.gz JJGITZXGDQMXCR-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)C[N@H+](C)C1CCC1 ZINC001366768218 895453327 /nfs/dbraw/zinc/45/33/27/895453327.db2.gz NNRYQILQRMZXLV-LBPRGKRZSA-N 2 0 282.388 -0.593 20 0 CBADRP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001366774835 895456159 /nfs/dbraw/zinc/45/61/59/895456159.db2.gz XRTAVNXRMGIRKC-OLZOCXBDSA-N 2 0 294.399 -0.735 20 0 CBADRP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001366774838 895458070 /nfs/dbraw/zinc/45/80/70/895458070.db2.gz XRTAVNXRMGIRKC-QWHCGFSZSA-N 2 0 294.399 -0.735 20 0 CBADRP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001366832943 895467511 /nfs/dbraw/zinc/46/75/11/895467511.db2.gz HXJBNWHVAAANJY-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001366893275 895481669 /nfs/dbraw/zinc/48/16/69/895481669.db2.gz GEJKIWLFCAFERZ-BFHYXJOUSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@H](O)C[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001366973837 895512907 /nfs/dbraw/zinc/51/29/07/895512907.db2.gz NBCCIYHZJHUFHL-CYBMUJFWSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@H](O)C[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001366990614 895516360 /nfs/dbraw/zinc/51/63/60/895516360.db2.gz HXIVZFGOSDOLFK-CYBMUJFWSA-N 2 0 287.404 -0.618 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001367032450 895537721 /nfs/dbraw/zinc/53/77/21/895537721.db2.gz KOUJDUOEHKVSMZ-ZIAGYGMSSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](C[C@@H](O)COC)C1 ZINC001367036609 895542794 /nfs/dbraw/zinc/54/27/94/895542794.db2.gz YNECIKNISBMMCX-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[C@@H](CNC(=O)CC[N@H+](C)CC)[NH2+][C@@H]1CCNC1=O ZINC001367145553 895576070 /nfs/dbraw/zinc/57/60/70/895576070.db2.gz VCAGCCXKEQYYDS-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H]1CCNC1=O ZINC001367138726 895576140 /nfs/dbraw/zinc/57/61/40/895576140.db2.gz MHKXYPOTXLLQNS-NWDGAFQWSA-N 2 0 294.399 -0.545 20 0 CBADRP CC[C@@H](C(=O)N[C@@](C)(C[NH2+]CC(=O)NC)C1CC1)[NH+](C)C ZINC001367175400 895578956 /nfs/dbraw/zinc/57/89/56/895578956.db2.gz HUSFHIZYLOBVOB-WFASDCNBSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H](C(=O)NC1(C[NH2+]CC(N)=O)CCCC1)[NH+](C)C ZINC001367165215 895579063 /nfs/dbraw/zinc/57/90/63/895579063.db2.gz YRTVSFJTFFOKSW-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@H](C(=O)N[C@](C)(C[NH2+]CC(=O)NC)C1CC1)[NH+](C)C ZINC001367194766 895581899 /nfs/dbraw/zinc/58/18/99/895581899.db2.gz HUSFHIZYLOBVOB-IUODEOHRSA-N 2 0 298.431 -0.053 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001367217608 895583304 /nfs/dbraw/zinc/58/33/04/895583304.db2.gz RVTXOCLYUXMLEG-RDBSUJKOSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC)[NH+](C)C ZINC001367224341 895587030 /nfs/dbraw/zinc/58/70/30/895587030.db2.gz DZOZHPCRDTYKFO-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001367222081 895587174 /nfs/dbraw/zinc/58/71/74/895587174.db2.gz UZOLHHTZCGOBAB-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001367240906 895592898 /nfs/dbraw/zinc/59/28/98/895592898.db2.gz NQNKFWNIWUVETO-YNEHKIRRSA-N 2 0 298.431 -0.195 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001367242894 895593569 /nfs/dbraw/zinc/59/35/69/895593569.db2.gz XXRFZDXRVDKZAG-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)NC1CC1 ZINC001367281278 895601231 /nfs/dbraw/zinc/60/12/31/895601231.db2.gz AYORWSIKBKVYGR-VXGBXAGGSA-N 2 0 296.415 -0.441 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001367276006 895601507 /nfs/dbraw/zinc/60/15/07/895601507.db2.gz ZCELQZYXPMYYCO-NEPJUHHUSA-N 2 0 296.419 -0.003 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+][C@H]1CCCNC1=O ZINC001367298314 895610108 /nfs/dbraw/zinc/61/01/08/895610108.db2.gz XNTIFNGBIOQXSL-OLZOCXBDSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001367412659 895632610 /nfs/dbraw/zinc/63/26/10/895632610.db2.gz JXWQDQAZNKCHOU-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001367440397 895635537 /nfs/dbraw/zinc/63/55/37/895635537.db2.gz GBLPWUDVQFSODC-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N(C)C ZINC001367485803 895642333 /nfs/dbraw/zinc/64/23/33/895642333.db2.gz XZQHXLCLTLHLIT-GFCCVEGCSA-N 2 0 286.420 -0.243 20 0 CBADRP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cncn1C)[NH+](C)C ZINC001367595067 895690425 /nfs/dbraw/zinc/69/04/25/895690425.db2.gz UBIAOFZEEQWJJJ-CHWSQXEVSA-N 2 0 297.403 -0.673 20 0 CBADRP Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)cn1 ZINC001367600158 895695047 /nfs/dbraw/zinc/69/50/47/895695047.db2.gz IWEGOHYKALFBJJ-CYBMUJFWSA-N 2 0 295.387 -0.697 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367606794 895697941 /nfs/dbraw/zinc/69/79/41/895697941.db2.gz OOIVBSBXIJEOBO-VXGBXAGGSA-N 2 0 287.404 -0.692 20 0 CBADRP C[C@@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)CCC[NH+](C)C ZINC001367644690 895720742 /nfs/dbraw/zinc/72/07/42/895720742.db2.gz LUISBGFSMBYPMY-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001367677654 895738519 /nfs/dbraw/zinc/73/85/19/895738519.db2.gz XAZFGOHKVBOAOJ-SNVBAGLBSA-N 2 0 270.377 -0.689 20 0 CBADRP CCN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001367681864 895743489 /nfs/dbraw/zinc/74/34/89/895743489.db2.gz AZULSTDOUIMRQY-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001367680976 895743556 /nfs/dbraw/zinc/74/35/56/895743556.db2.gz PWJXJSFYZWIRGU-VXGBXAGGSA-N 2 0 294.399 -0.402 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001367680782 895746485 /nfs/dbraw/zinc/74/64/85/895746485.db2.gz OBMSCUWPVSAFIL-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)CC[NH+](C)C ZINC001367696990 895756778 /nfs/dbraw/zinc/75/67/78/895756778.db2.gz UIGOEKWDJZYBAI-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001367714517 895759555 /nfs/dbraw/zinc/75/95/55/895759555.db2.gz JFQXHAZMVKGBMK-GHMZBOCLSA-N 2 0 272.393 -0.445 20 0 CBADRP CC[C@H]([NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001367706014 895761989 /nfs/dbraw/zinc/76/19/89/895761989.db2.gz LPZJAOAVPRFBLE-MNOVXSKESA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367770529 895802822 /nfs/dbraw/zinc/80/28/22/895802822.db2.gz CVZANOHFJFVYDT-QWRGUYRKSA-N 2 0 270.377 -0.879 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001367907284 895851107 /nfs/dbraw/zinc/85/11/07/895851107.db2.gz MDDBUPAXCPCNKV-RYUDHWBXSA-N 2 0 282.388 -0.560 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001367926905 895853195 /nfs/dbraw/zinc/85/31/95/895853195.db2.gz WDAYDEKXSYTCRM-VXGBXAGGSA-N 2 0 282.388 -0.832 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1)C(=O)N(C)C ZINC001367993912 895882219 /nfs/dbraw/zinc/88/22/19/895882219.db2.gz XETPRPIJVQPCGW-VXGBXAGGSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@@H](C(=O)NCC1([NH2+][C@H](C)C(=O)NC)CC1)[NH+](C)C ZINC001368018082 895891343 /nfs/dbraw/zinc/89/13/43/895891343.db2.gz GAGPFYLXMQBAMS-MNOVXSKESA-N 2 0 284.404 -0.301 20 0 CBADRP CN(C)C(=O)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001368030214 895895231 /nfs/dbraw/zinc/89/52/31/895895231.db2.gz WIYCRAOYIGMQSX-UHFFFAOYSA-N 2 0 294.399 -0.591 20 0 CBADRP CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001368036335 895896858 /nfs/dbraw/zinc/89/68/58/895896858.db2.gz PXEXJFGYBSGMQI-NSHDSACASA-N 2 0 282.388 -0.735 20 0 CBADRP O=C(NC[C@@]1(O)CC[N@@H+](CCO)C1)C12CCC[NH+]1CCC2 ZINC001368261402 895947736 /nfs/dbraw/zinc/94/77/36/895947736.db2.gz NUBAUQIVCGWTOU-AWEZNQCLSA-N 2 0 297.399 -0.840 20 0 CBADRP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001368457982 896015431 /nfs/dbraw/zinc/01/54/31/896015431.db2.gz IYDPKYFWAREZCR-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001368499227 896021625 /nfs/dbraw/zinc/02/16/25/896021625.db2.gz QWKXCPHZDIGZMC-XJFOESAGSA-N 2 0 299.415 -0.428 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC001368502684 896024068 /nfs/dbraw/zinc/02/40/68/896024068.db2.gz XYBCTLYTAVXSKJ-WYUUTHIRSA-N 2 0 284.404 -0.315 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC)C1)[NH+](C)C ZINC001368594876 896041597 /nfs/dbraw/zinc/04/15/97/896041597.db2.gz XJXBLMVFJSNEPA-LPWJVIDDSA-N 2 0 298.431 -0.055 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]CC(N)=O)CC2)CC[N@@H+]1C ZINC001368649402 896050511 /nfs/dbraw/zinc/05/05/11/896050511.db2.gz GLLVTUHVAJPOHE-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1[NH2+]CC(=O)N(C)C ZINC001368662018 896054312 /nfs/dbraw/zinc/05/43/12/896054312.db2.gz VUQWRPWEZQVXET-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CC(=O)N(C)C ZINC001368661058 896055038 /nfs/dbraw/zinc/05/50/38/896055038.db2.gz UJRWZODNXUYFBF-NEPJUHHUSA-N 2 0 284.404 -0.537 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+][C@H]1CCN(C)C1=O ZINC001368728046 896066438 /nfs/dbraw/zinc/06/64/38/896066438.db2.gz GWNRTWRQTLKDHM-RWMBFGLXSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001368820935 896091360 /nfs/dbraw/zinc/09/13/60/896091360.db2.gz AQVMRVRYVIQWIF-HIFPTAJRSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CCS(C)(=O)=O ZINC001368869923 896099887 /nfs/dbraw/zinc/09/98/87/896099887.db2.gz QLGGGEJQNPTAFA-QWRGUYRKSA-N 2 0 293.433 -0.535 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001368880513 896104347 /nfs/dbraw/zinc/10/43/47/896104347.db2.gz FGXPRKDSHDNGHN-MNOVXSKESA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1cnnn1C ZINC001368905002 896107810 /nfs/dbraw/zinc/10/78/10/896107810.db2.gz GOWQAUSZEZJPRB-NWDGAFQWSA-N 2 0 294.403 -0.106 20 0 CBADRP COC[C@H](O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001368988252 896133082 /nfs/dbraw/zinc/13/30/82/896133082.db2.gz QVNQFCKHOYUUJG-JHJVBQTASA-N 2 0 287.404 -0.476 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)C[NH+]1CCCC1 ZINC001452808262 914036968 /nfs/dbraw/zinc/03/69/68/914036968.db2.gz SEQCNTUENIFTLG-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]CC(N)=O ZINC001369248315 896182647 /nfs/dbraw/zinc/18/26/47/896182647.db2.gz DMRZMRVOCBSGCH-JTQLQIEISA-N 2 0 270.377 -0.608 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001369307561 896195537 /nfs/dbraw/zinc/19/55/37/896195537.db2.gz HTVYYJFRSQLLPU-QWHCGFSZSA-N 2 0 298.431 -0.006 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1cccnc1 ZINC001369356982 896237489 /nfs/dbraw/zinc/23/74/89/896237489.db2.gz YEJLBEDWEOJKQC-ZIAGYGMSSA-N 2 0 292.383 -0.258 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]CCn1cccn1 ZINC001369378080 896247616 /nfs/dbraw/zinc/24/76/16/896247616.db2.gz APQSMYZOVJVBEK-ZDUSSCGKSA-N 2 0 295.387 -0.954 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cncn1C)[NH+](C)C ZINC001369376758 896248011 /nfs/dbraw/zinc/24/80/11/896248011.db2.gz DUEKUNKXTUNGOI-YPMHNXCESA-N 2 0 297.403 -0.673 20 0 CBADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC(=O)NC)C(C)(C)C1)[NH+](C)C ZINC001369444910 896270539 /nfs/dbraw/zinc/27/05/39/896270539.db2.gz SPGQOGQEJRHZPU-NWDGAFQWSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](NC(=O)CC[NH+](C)C)C1CC[NH+](CC(N)=O)CC1 ZINC001369570439 896318525 /nfs/dbraw/zinc/31/85/25/896318525.db2.gz MRBXOUGUDXZMKF-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP CNC(=O)C[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001369576856 896322515 /nfs/dbraw/zinc/32/25/15/896322515.db2.gz AWFFWDANAPRYJI-UHFFFAOYSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C(=O)CC[NH+](C)C ZINC001369836470 896349265 /nfs/dbraw/zinc/34/92/65/896349265.db2.gz HGLQWFGMGFOBJJ-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001369843932 896350988 /nfs/dbraw/zinc/35/09/88/896350988.db2.gz NIDGTAOFNNIFRV-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001369866810 896354251 /nfs/dbraw/zinc/35/42/51/896354251.db2.gz BXUODSYRNGDTFJ-KBPBESRZSA-N 2 0 299.415 -0.330 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCN1CC[NH+](CCCO)CC1 ZINC001369915591 896359224 /nfs/dbraw/zinc/35/92/24/896359224.db2.gz LUQMPJUOMKMTMN-CQSZACIVSA-N 2 0 298.431 -0.803 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001370018039 896394664 /nfs/dbraw/zinc/39/46/64/896394664.db2.gz OBRYIRUMTKWJTN-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[C@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001370264878 896414141 /nfs/dbraw/zinc/41/41/41/896414141.db2.gz LAJYCIWFHGCUPA-GHMZBOCLSA-N 2 0 270.377 -0.704 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001370548997 896440157 /nfs/dbraw/zinc/44/01/57/896440157.db2.gz RKFGEVLAOZVFJE-IJLUTSLNSA-N 2 0 282.388 -0.547 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001370665137 896470796 /nfs/dbraw/zinc/47/07/96/896470796.db2.gz MEHZRVKRTMOWFC-FRRDWIJNSA-N 2 0 296.415 -0.156 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001370716582 896486770 /nfs/dbraw/zinc/48/67/70/896486770.db2.gz XQTSFGXTXCKIJF-TXEJJXNPSA-N 2 0 294.399 -0.545 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001370732622 896490551 /nfs/dbraw/zinc/49/05/51/896490551.db2.gz MNQVZXYUVSGPFA-PHIMTYICSA-N 2 0 270.377 -0.691 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001370927205 896519827 /nfs/dbraw/zinc/51/98/27/896519827.db2.gz HAWYNZMVIPFHQI-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001371138717 896554858 /nfs/dbraw/zinc/55/48/58/896554858.db2.gz IRZALBCASIIOBF-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001371138771 896557471 /nfs/dbraw/zinc/55/74/71/896557471.db2.gz JHMOFLIJBPWGKP-CMPLNLGQSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCn1cncn1 ZINC001371192666 896573253 /nfs/dbraw/zinc/57/32/53/896573253.db2.gz XORTWGMOLIIPKA-JHJVBQTASA-N 2 0 294.403 -0.287 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001371411380 896604473 /nfs/dbraw/zinc/60/44/73/896604473.db2.gz UXRCJFUPCYXVNF-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)N(C)C ZINC001371821557 896663336 /nfs/dbraw/zinc/66/33/36/896663336.db2.gz OZMATNYPEIACNV-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N(C)C ZINC001371830761 896668218 /nfs/dbraw/zinc/66/82/18/896668218.db2.gz XFBAOAFJUXIXDJ-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP C[NH+](CC(=O)NCC[N@@H+](C)CCn1cncn1)C1CCC1 ZINC001372000402 896704515 /nfs/dbraw/zinc/70/45/15/896704515.db2.gz UWYZYYCJXPZSLP-UHFFFAOYSA-N 2 0 294.403 -0.190 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001372006073 896705052 /nfs/dbraw/zinc/70/50/52/896705052.db2.gz KKBXOLNWHMFWPW-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001372010000 896705788 /nfs/dbraw/zinc/70/57/88/896705788.db2.gz VNVXHRZTLZNKEV-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001372037598 896715444 /nfs/dbraw/zinc/71/54/44/896715444.db2.gz AJIBVDUAIYRWIP-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CCn1cccn1 ZINC001372223632 896749659 /nfs/dbraw/zinc/74/96/59/896749659.db2.gz ZUQFRYGPNMVEOP-ZDUSSCGKSA-N 2 0 279.388 -0.117 20 0 CBADRP CCN(C)C(=O)CN(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001372216470 896749867 /nfs/dbraw/zinc/74/98/67/896749867.db2.gz CGRADVHOYVJXST-GFCCVEGCSA-N 2 0 284.404 -0.536 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CCn1cncn1 ZINC001372248277 896756156 /nfs/dbraw/zinc/75/61/56/896756156.db2.gz SRAFXKQPDQAAMG-UHFFFAOYSA-N 2 0 282.392 -0.334 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001372633403 896830643 /nfs/dbraw/zinc/83/06/43/896830643.db2.gz PPJNPAXBIMFKNU-HZSPNIEDSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+][C@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001372938953 896907679 /nfs/dbraw/zinc/90/76/79/896907679.db2.gz IYKQPVHGBNAXKG-UPJWGTAASA-N 2 0 296.415 -0.395 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC)CC[N@@H+]1C ZINC001372942199 896908462 /nfs/dbraw/zinc/90/84/62/896908462.db2.gz PZNZUTFAMOMVAH-FRRDWIJNSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001372945009 896909995 /nfs/dbraw/zinc/90/99/95/896909995.db2.gz JNRCJRRGRMREKP-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001372950312 896913815 /nfs/dbraw/zinc/91/38/15/896913815.db2.gz MAUJPKFBIKCNCE-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[N@H+](C)CC(N)=O)C2)CC1 ZINC001373289593 896968885 /nfs/dbraw/zinc/96/88/85/896968885.db2.gz INTRJHYSDRAKBV-LBPRGKRZSA-N 2 0 296.415 -0.406 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1C[NH+](CCn2cncn2)C1 ZINC001373547812 897049649 /nfs/dbraw/zinc/04/96/49/897049649.db2.gz YTIMSKBEQJFZQY-UHFFFAOYSA-N 2 0 294.403 -0.332 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001373601931 897067073 /nfs/dbraw/zinc/06/70/73/897067073.db2.gz VAXDTIZQUQOCQA-LBPRGKRZSA-N 2 0 297.403 -0.846 20 0 CBADRP CC[NH+](CC)CC(=O)N(C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001373606667 897068491 /nfs/dbraw/zinc/06/84/91/897068491.db2.gz ZAOSEBRHOPHCBY-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001373608264 897068946 /nfs/dbraw/zinc/06/89/46/897068946.db2.gz HFRHDPQTKWMJLZ-QWHCGFSZSA-N 2 0 297.399 -0.720 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001373630985 897079616 /nfs/dbraw/zinc/07/96/16/897079616.db2.gz PXEWQWIHAZRAJD-OCCSQVGLSA-N 2 0 299.415 -0.332 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001373637876 897084393 /nfs/dbraw/zinc/08/43/93/897084393.db2.gz OBRYIRUMTKWJTN-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(N)=O ZINC001373757939 897116811 /nfs/dbraw/zinc/11/68/11/897116811.db2.gz KQBYPKNRELEPCG-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP CCN(CCNC(=O)C[NH+]1CCCC1)C(=O)CC[NH+](C)C ZINC001373828468 897130875 /nfs/dbraw/zinc/13/08/75/897130875.db2.gz NNWWFHSYWOVFEA-UHFFFAOYSA-N 2 0 298.431 -0.001 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001373896750 897134563 /nfs/dbraw/zinc/13/45/63/897134563.db2.gz JOCYMSYIBLYSEV-XHDPSFHLSA-N 2 0 296.415 -0.312 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001373914462 897137246 /nfs/dbraw/zinc/13/72/46/897137246.db2.gz FTXARVICRSZMDV-AVGNSLFASA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)CC[NH+](C)C ZINC001374279017 897203161 /nfs/dbraw/zinc/20/31/61/897203161.db2.gz WVYMVSZWBYIXMT-GHMZBOCLSA-N 2 0 270.377 -0.737 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O)[NH+](C)C ZINC001374322639 897209627 /nfs/dbraw/zinc/20/96/27/897209627.db2.gz SCMDQQJDTLNGLR-JQWIXIFHSA-N 2 0 272.393 -0.506 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCCNC1=O)N(C)C(=O)C[NH+]1CCCC1 ZINC001374323386 897209658 /nfs/dbraw/zinc/20/96/58/897209658.db2.gz BOSJHWCVBWLYCM-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001374312101 897210530 /nfs/dbraw/zinc/21/05/30/897210530.db2.gz KLNKRKVKEOWYBY-NWDGAFQWSA-N 2 0 294.399 -0.593 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001374314057 897211913 /nfs/dbraw/zinc/21/19/13/897211913.db2.gz QMQMGFBOBZYFLZ-NSHDSACASA-N 2 0 282.388 -0.735 20 0 CBADRP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H]1CCCNC1=O ZINC001374431341 897223906 /nfs/dbraw/zinc/22/39/06/897223906.db2.gz KWPFFYLHRZMNDS-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cnnn1C ZINC001374430755 897226446 /nfs/dbraw/zinc/22/64/46/897226446.db2.gz DZIBDIQKTVNOQU-ZDUSSCGKSA-N 2 0 296.419 -0.003 20 0 CBADRP Cc1nocc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001374593680 897292270 /nfs/dbraw/zinc/29/22/70/897292270.db2.gz ZCEZOOVXSVZILM-QWHCGFSZSA-N 2 0 296.371 -0.356 20 0 CBADRP Cc1nocc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001374593671 897293677 /nfs/dbraw/zinc/29/36/77/897293677.db2.gz ZCEZOOVXSVZILM-CHWSQXEVSA-N 2 0 296.371 -0.356 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001374610192 897308988 /nfs/dbraw/zinc/30/89/88/897308988.db2.gz YWRQEJZAMBGNAR-CYBMUJFWSA-N 2 0 296.415 -0.252 20 0 CBADRP Cc1nc(C)c(C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)o1 ZINC001374640048 897321823 /nfs/dbraw/zinc/32/18/23/897321823.db2.gz FNYJXOSYDQLUOQ-GFCCVEGCSA-N 2 0 298.387 -0.190 20 0 CBADRP CC[C@H](C(=O)N1CC(NC(=O)C[NH+](CC)CC)C1)[NH+](C)C ZINC001374649746 897325204 /nfs/dbraw/zinc/32/52/04/897325204.db2.gz HQCPONORMIIXCH-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCCOC1 ZINC001374642897 897326265 /nfs/dbraw/zinc/32/62/65/897326265.db2.gz OYACYYZRBVLCPN-STQMWFEESA-N 2 0 287.404 -0.569 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001374739000 897367267 /nfs/dbraw/zinc/36/72/67/897367267.db2.gz UDHIZCWVAHASRD-GRYCIOLGSA-N 2 0 273.377 -0.818 20 0 CBADRP CC(C)[C@@H](C(=O)N1CC(NC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001374759794 897381303 /nfs/dbraw/zinc/38/13/03/897381303.db2.gz HEIYDYYIBUOBLT-AWEZNQCLSA-N 2 0 298.431 -0.149 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](CC)C(N)=O)[NH+](C)C ZINC001374777874 897384006 /nfs/dbraw/zinc/38/40/06/897384006.db2.gz XWAAEVPJCAMZKB-OUAUKWLOSA-N 2 0 272.393 -0.315 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CC1)C(=O)N(C)C ZINC001375255280 897501477 /nfs/dbraw/zinc/50/14/77/897501477.db2.gz LSHOBHNAFVCXPQ-DGCLKSJQSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001375422167 897538381 /nfs/dbraw/zinc/53/83/81/897538381.db2.gz URTBARCOHZSTJR-DGCLKSJQSA-N 2 0 281.400 -0.053 20 0 CBADRP CC[C@@H](C(=O)NCC1([NH2+][C@H]2CCCNC2=O)CC1)[NH+](C)C ZINC001375489571 897552493 /nfs/dbraw/zinc/55/24/93/897552493.db2.gz FRNRBYSDJAOPIO-RYUDHWBXSA-N 2 0 296.415 -0.156 20 0 CBADRP CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001375483148 897553311 /nfs/dbraw/zinc/55/33/11/897553311.db2.gz YPEWODWQCUJQLI-CYBMUJFWSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001375500570 897557451 /nfs/dbraw/zinc/55/74/51/897557451.db2.gz PFWQGUXEDXUFRW-RVMXOQNASA-N 2 0 298.431 -0.069 20 0 CBADRP CC(C)(C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001375502374 897557621 /nfs/dbraw/zinc/55/76/21/897557621.db2.gz JCYSCELXQYCNKY-TXEJJXNPSA-N 2 0 296.415 -0.170 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001375516284 897560717 /nfs/dbraw/zinc/56/07/17/897560717.db2.gz QLTVWNFOMXBDNS-BETUJISGSA-N 2 0 296.415 -0.297 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001375540855 897562276 /nfs/dbraw/zinc/56/22/76/897562276.db2.gz HQJDWVLEDAJRRV-JHJVBQTASA-N 2 0 296.415 -0.441 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001375547633 897563417 /nfs/dbraw/zinc/56/34/17/897563417.db2.gz LLDMMSSZMYWGEA-LBPRGKRZSA-N 2 0 296.415 -0.027 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001375538634 897564795 /nfs/dbraw/zinc/56/47/95/897564795.db2.gz VEISWJQXXIEXOE-OBJOEFQTSA-N 2 0 298.431 -0.197 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CC[NH+](C)C ZINC001375739993 897598496 /nfs/dbraw/zinc/59/84/96/897598496.db2.gz FYCHEPQXATYIEB-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CCC[NH+](C)C)C(N)=O ZINC001375766480 897603723 /nfs/dbraw/zinc/60/37/23/897603723.db2.gz VVTSYXOTGSOEBT-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001375769282 897606920 /nfs/dbraw/zinc/60/69/20/897606920.db2.gz XPRSKYWHJNPCKI-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001375767724 897607534 /nfs/dbraw/zinc/60/75/34/897607534.db2.gz HVQXQXMRGDCNDO-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCN2CC[NH+](CCCO)CC2)C1 ZINC001376104516 897654348 /nfs/dbraw/zinc/65/43/48/897654348.db2.gz NODHYIDVYRRBOO-CQSZACIVSA-N 2 0 298.431 -0.946 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376135869 897669008 /nfs/dbraw/zinc/66/90/08/897669008.db2.gz RWRGCVBBHJJRFI-OLZOCXBDSA-N 2 0 299.415 -0.332 20 0 CBADRP CN1CC[C@H](N2CC[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001376156568 897675536 /nfs/dbraw/zinc/67/55/36/897675536.db2.gz VHUVAKHEVHSNAT-RYUDHWBXSA-N 2 0 282.388 -0.641 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)CCn2ccnc2)C1 ZINC001376150960 897677239 /nfs/dbraw/zinc/67/72/39/897677239.db2.gz VSXQJNSUNYFCPV-STQMWFEESA-N 2 0 296.371 -0.529 20 0 CBADRP NC(=O)CN1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001376169949 897678995 /nfs/dbraw/zinc/67/89/95/897678995.db2.gz YPTMANCGINFKJP-ZDUSSCGKSA-N 2 0 296.415 -0.072 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001376169673 897680716 /nfs/dbraw/zinc/68/07/16/897680716.db2.gz DXMAORXLRSTGMG-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H]([NH2+][C@@H](CNC(=O)CC[NH+](C)C)C1CC1)C(N)=O ZINC001376242048 897695684 /nfs/dbraw/zinc/69/56/84/897695684.db2.gz DXHYDDCQZQMGDZ-ONGXEEELSA-N 2 0 270.377 -0.704 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)NC)C1CC1)[NH+](C)C ZINC001376257911 897698729 /nfs/dbraw/zinc/69/87/29/897698729.db2.gz QVDHQWDSXVCORF-NEPJUHHUSA-N 2 0 284.404 -0.443 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(N)=O)C2 ZINC001376303144 897706236 /nfs/dbraw/zinc/70/62/36/897706236.db2.gz KUPODVDXRHLOTJ-TUAOUCFPSA-N 2 0 282.388 -0.608 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001376358234 897716365 /nfs/dbraw/zinc/71/63/65/897716365.db2.gz GFKLZOGTXGOASE-QWHCGFSZSA-N 2 0 296.415 -0.488 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001376370571 897720914 /nfs/dbraw/zinc/72/09/14/897720914.db2.gz VJFZIBINUSYCTI-NEPJUHHUSA-N 2 0 284.404 -0.632 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001376408382 897727019 /nfs/dbraw/zinc/72/70/19/897727019.db2.gz NMPWSYZSBYJULB-SRVKXCTJSA-N 2 0 282.388 -0.689 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001376470629 897749377 /nfs/dbraw/zinc/74/93/77/897749377.db2.gz SZTSKTRCXFVJMW-XQQFMLRXSA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001376469497 897750629 /nfs/dbraw/zinc/75/06/29/897750629.db2.gz NBGZWIOLINDHFG-NDBYEHHHSA-N 2 0 296.415 -0.158 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001376491889 897756294 /nfs/dbraw/zinc/75/62/94/897756294.db2.gz NSCGDHZJLBMEQO-UTUOFQBUSA-N 2 0 284.404 -0.301 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001376495164 897758839 /nfs/dbraw/zinc/75/88/39/897758839.db2.gz RKFGEVLAOZVFJE-TUAOUCFPSA-N 2 0 282.388 -0.547 20 0 CBADRP CCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001376503685 897760473 /nfs/dbraw/zinc/76/04/73/897760473.db2.gz RZJUGWOETVIYBM-UPJWGTAASA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001376504738 897763293 /nfs/dbraw/zinc/76/32/93/897763293.db2.gz SMQODEUTUZOWGC-MPZDIEGVSA-N 2 0 296.415 -0.158 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001376609655 897782982 /nfs/dbraw/zinc/78/29/82/897782982.db2.gz LRUNNKWCQXGZLI-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001376609658 897783496 /nfs/dbraw/zinc/78/34/96/897783496.db2.gz LRUNNKWCQXGZLI-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@H]1CCN(C)C1=O ZINC001376792824 897845950 /nfs/dbraw/zinc/84/59/50/897845950.db2.gz OITWWNDBFUDKRB-RYUDHWBXSA-N 2 0 296.415 -0.347 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001376788614 897847094 /nfs/dbraw/zinc/84/70/94/897847094.db2.gz CTIXSHFHPZSDGZ-AGIUHOORSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001376811553 897853085 /nfs/dbraw/zinc/85/30/85/897853085.db2.gz VNFNLRBAOOOCGX-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001376803982 897853250 /nfs/dbraw/zinc/85/32/50/897853250.db2.gz SYJKVWLMCYTLTO-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H]1CCCNC1=O ZINC001376816141 897856743 /nfs/dbraw/zinc/85/67/43/897856743.db2.gz ZLYSERDLEBVKRU-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001376851619 897868093 /nfs/dbraw/zinc/86/80/93/897868093.db2.gz DRBREARTLIRACS-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001376882179 897878588 /nfs/dbraw/zinc/87/85/88/897878588.db2.gz NOCJYDKIOHDYDD-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001376903229 897887168 /nfs/dbraw/zinc/88/71/68/897887168.db2.gz XMSAVXPEGUIDQQ-NEPJUHHUSA-N 2 0 296.415 -0.204 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001376933615 897894747 /nfs/dbraw/zinc/89/47/47/897894747.db2.gz WBPRMHRCQIOZKO-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001376937235 897897173 /nfs/dbraw/zinc/89/71/73/897897173.db2.gz CUFRSAJXDHVDHP-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001376937226 897897457 /nfs/dbraw/zinc/89/74/57/897897457.db2.gz CUFRSAJXDHVDHP-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001376937228 897898624 /nfs/dbraw/zinc/89/86/24/897898624.db2.gz CUFRSAJXDHVDHP-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001376960604 897900613 /nfs/dbraw/zinc/90/06/13/897900613.db2.gz GNFPERJIAMVVAE-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001376944369 897901801 /nfs/dbraw/zinc/90/18/01/897901801.db2.gz SLCBAMCOQNWIGY-LLVKDONJSA-N 2 0 282.388 -0.748 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001376960602 897902155 /nfs/dbraw/zinc/90/21/55/897902155.db2.gz GNFPERJIAMVVAE-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)[C@H](C)[N@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001376971436 897903692 /nfs/dbraw/zinc/90/36/92/897903692.db2.gz KPOXJMAUFMCRCJ-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001377009428 897912509 /nfs/dbraw/zinc/91/25/09/897912509.db2.gz FEAJCDRTZGMLQT-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP O=C(N1CCC[C@@](CO)([NH2+]CCO)C1)C12CC[NH+](CC1)C2 ZINC001377177485 897960662 /nfs/dbraw/zinc/96/06/62/897960662.db2.gz WMIQVYLUNRNWQE-OAHLLOKOSA-N 2 0 297.399 -0.982 20 0 CBADRP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001377575055 898088654 /nfs/dbraw/zinc/08/86/54/898088654.db2.gz OVTFCCHHVTZCAL-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001377574572 898090432 /nfs/dbraw/zinc/09/04/32/898090432.db2.gz CKACOYLQLBDBDH-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+][C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001377577062 898094262 /nfs/dbraw/zinc/09/42/62/898094262.db2.gz CXATWVQZGGXYNU-RWMBFGLXSA-N 2 0 296.415 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H]1CCN(CC)C1=O ZINC001377587540 898099838 /nfs/dbraw/zinc/09/98/38/898099838.db2.gz DINPGBSWZWSPLG-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001377597079 898101205 /nfs/dbraw/zinc/10/12/05/898101205.db2.gz JGBYHVFAXOYJSW-NEPJUHHUSA-N 2 0 296.415 -0.347 20 0 CBADRP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001377595854 898102213 /nfs/dbraw/zinc/10/22/13/898102213.db2.gz SZRPVRKQZPYUCO-GFCCVEGCSA-N 2 0 282.388 -0.735 20 0 CBADRP COC[C@@H](O)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001377712308 898121410 /nfs/dbraw/zinc/12/14/10/898121410.db2.gz KYXUTOSLOJWWES-CLRIEMFWSA-N 2 0 299.415 -0.428 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001377715535 898121850 /nfs/dbraw/zinc/12/18/50/898121850.db2.gz AIKNBGCCRMWKJN-RYUDHWBXSA-N 2 0 282.388 -0.748 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001377715462 898122292 /nfs/dbraw/zinc/12/22/92/898122292.db2.gz AIKNBGCCRMWKJN-NEPJUHHUSA-N 2 0 282.388 -0.748 20 0 CBADRP COC[C@@H](O)C[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001377993444 898193784 /nfs/dbraw/zinc/19/37/84/898193784.db2.gz ABUZWIAJEPGCBG-JSGCOSHPSA-N 2 0 299.415 -0.617 20 0 CBADRP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]C[C@H](O)COC ZINC001378321971 898313998 /nfs/dbraw/zinc/31/39/98/898313998.db2.gz VRNQECDVZCOIHK-STQMWFEESA-N 2 0 299.415 -0.426 20 0 CBADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCn1cncn1 ZINC001378337821 898320049 /nfs/dbraw/zinc/32/00/49/898320049.db2.gz HTQYENCCDSTMKQ-CYBMUJFWSA-N 2 0 294.403 -0.142 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001378360603 898323549 /nfs/dbraw/zinc/32/35/49/898323549.db2.gz YDBHVJNKEYSLJK-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001378512303 898340141 /nfs/dbraw/zinc/34/01/41/898340141.db2.gz MMKBOWOFMIGPPW-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001378505893 898340225 /nfs/dbraw/zinc/34/02/25/898340225.db2.gz ORGLXXQZXVXHKU-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001378513825 898342311 /nfs/dbraw/zinc/34/23/11/898342311.db2.gz RVTXOCLYUXMLEG-MGPQQGTHSA-N 2 0 299.415 -0.332 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)NC ZINC001378569909 898355682 /nfs/dbraw/zinc/35/56/82/898355682.db2.gz UWLRLFBGOHVDSI-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001378583807 898359664 /nfs/dbraw/zinc/35/96/64/898359664.db2.gz VTIVWYIVBUOSRC-NWDGAFQWSA-N 2 0 286.420 -0.243 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001378595872 898361805 /nfs/dbraw/zinc/36/18/05/898361805.db2.gz ZRHOFDOHOKJPQJ-RWMBFGLXSA-N 2 0 287.404 -0.570 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001378595869 898361936 /nfs/dbraw/zinc/36/19/36/898361936.db2.gz ZRHOFDOHOKJPQJ-FRRDWIJNSA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]CC(N)=O ZINC001378609845 898365542 /nfs/dbraw/zinc/36/55/42/898365542.db2.gz CRGZPMCRLGMWNJ-QWRGUYRKSA-N 2 0 270.377 -0.845 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001378780246 898408526 /nfs/dbraw/zinc/40/85/26/898408526.db2.gz AMSQXCRUEWRKCG-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)CC[NH+](C)C ZINC001378805636 898412470 /nfs/dbraw/zinc/41/24/70/898412470.db2.gz CNVIYTXOWSHCTH-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001378821192 898415932 /nfs/dbraw/zinc/41/59/32/898415932.db2.gz ZPRWPAHDHMWPTG-JTQLQIEISA-N 2 0 270.377 -0.750 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)C[NH+]1CCCC1 ZINC001378852246 898423438 /nfs/dbraw/zinc/42/34/38/898423438.db2.gz LBSQMDRLMIBJQJ-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001378839637 898424025 /nfs/dbraw/zinc/42/40/25/898424025.db2.gz HNZJVTQMIWHCKZ-GMTAPVOTSA-N 2 0 270.377 -0.704 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001378889026 898427977 /nfs/dbraw/zinc/42/79/77/898427977.db2.gz AVMIUABDMXDEKW-JOCQHMNTSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001378896096 898431195 /nfs/dbraw/zinc/43/11/95/898431195.db2.gz KFRLVRHBVGHSIS-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CN(C(=O)CC[NH+](C)C)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001379027469 898448634 /nfs/dbraw/zinc/44/86/34/898448634.db2.gz SLTSJBUEGZDZDW-NSHDSACASA-N 2 0 270.377 -0.750 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2[C@H](CC[NH+]2CC(N)=O)C1 ZINC001379147235 898474464 /nfs/dbraw/zinc/47/44/64/898474464.db2.gz HPDRFYCSXBIMNU-OLZOCXBDSA-N 2 0 296.415 -0.264 20 0 CBADRP Cc1cncn1CC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001379182883 898493685 /nfs/dbraw/zinc/49/36/85/898493685.db2.gz ATPCWURWCIEELJ-PWSUYJOCSA-N 2 0 293.371 -0.483 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnns1 ZINC001379188148 898498029 /nfs/dbraw/zinc/49/80/29/898498029.db2.gz LTAZRMPABZGEAU-ONGXEEELSA-N 2 0 299.400 -0.801 20 0 CBADRP C[C@@H](CN(C)C(=O)c1cnn(CC[NH+](C)C)c1)[NH2+]CCO ZINC001379274577 898531520 /nfs/dbraw/zinc/53/15/20/898531520.db2.gz HOBICJYRLLQZBQ-LBPRGKRZSA-N 2 0 297.403 -0.513 20 0 CBADRP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)N(C)C ZINC001379279116 898536006 /nfs/dbraw/zinc/53/60/06/898536006.db2.gz SJLSABGKAJXPGE-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001379294082 898539333 /nfs/dbraw/zinc/53/93/33/898539333.db2.gz CHYQNVXIDGEECQ-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccccn2)C1 ZINC001379290166 898539379 /nfs/dbraw/zinc/53/93/79/898539379.db2.gz QYPWVNGQZPBEIM-JSGCOSHPSA-N 2 0 292.383 -0.400 20 0 CBADRP C[C@@H]([NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001379316191 898545713 /nfs/dbraw/zinc/54/57/13/898545713.db2.gz VDJVBQLJMFYVTD-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)CCC[NH+](C)C ZINC001379412316 898606039 /nfs/dbraw/zinc/60/60/39/898606039.db2.gz CWYWLLAZSHJPDV-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001379421780 898608248 /nfs/dbraw/zinc/60/82/48/898608248.db2.gz VEZPMEJQOCEJBP-JHJVBQTASA-N 2 0 298.431 -0.102 20 0 CBADRP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001379447260 898618920 /nfs/dbraw/zinc/61/89/20/898618920.db2.gz GCFREBSDZQGEID-NEPJUHHUSA-N 2 0 294.403 -0.249 20 0 CBADRP CCn1cc(CNC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001379461858 898621060 /nfs/dbraw/zinc/62/10/60/898621060.db2.gz UOKOEQFGGGHLSE-NEPJUHHUSA-N 2 0 294.403 -0.156 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]CC1CCOCC1 ZINC001379465884 898625864 /nfs/dbraw/zinc/62/58/64/898625864.db2.gz FQRADDIJJWJXHZ-ZDUSSCGKSA-N 2 0 287.404 -0.569 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(=O)NC1CC1)NC(=O)C[NH+]1CCCC1 ZINC001379473322 898627712 /nfs/dbraw/zinc/62/77/12/898627712.db2.gz ZZWWBDFJYWIRTP-NEPJUHHUSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]Cc1cncs1 ZINC001379470747 898628312 /nfs/dbraw/zinc/62/83/12/898628312.db2.gz SFZKSTIJIONDOF-SNVBAGLBSA-N 2 0 286.401 -0.339 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001379518829 898654565 /nfs/dbraw/zinc/65/45/65/898654565.db2.gz JTSWRCHHAKXHSI-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)[C@@H]1C ZINC001379565494 898668331 /nfs/dbraw/zinc/66/83/31/898668331.db2.gz GEESQMIWQZQEEB-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001379561708 898670219 /nfs/dbraw/zinc/67/02/19/898670219.db2.gz ZXQZYIRPTRUQQY-YPMHNXCESA-N 2 0 296.415 -0.347 20 0 CBADRP CN(C[C@@H](O)C[NH2+]Cc1cncn1C)C(=O)CC[NH+](C)C ZINC001379838232 898742326 /nfs/dbraw/zinc/74/23/26/898742326.db2.gz MARAJGDHVAEUEE-ZDUSSCGKSA-N 2 0 297.403 -0.719 20 0 CBADRP CC(C)(C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1)[NH+]1CCCC1 ZINC001379894188 898754510 /nfs/dbraw/zinc/75/45/10/898754510.db2.gz HPSKDRZHUUNPQP-GFCCVEGCSA-N 2 0 296.415 -0.170 20 0 CBADRP CN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001380174883 898828437 /nfs/dbraw/zinc/82/84/37/898828437.db2.gz HIMSUCIIDKOKLC-PNESKVBLSA-N 2 0 296.415 -0.395 20 0 CBADRP COCC[N@@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001380557643 898896773 /nfs/dbraw/zinc/89/67/73/898896773.db2.gz VLHVOVKBFUSCHV-OAHLLOKOSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001380562283 898900892 /nfs/dbraw/zinc/90/08/92/898900892.db2.gz BTYVIQIIELEIER-DOMZBBRYSA-N 2 0 297.399 -0.984 20 0 CBADRP CC[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1)[NH+](C)C ZINC001380566557 898903679 /nfs/dbraw/zinc/90/36/79/898903679.db2.gz QLJFDXGFUYTPFY-JSGCOSHPSA-N 2 0 287.404 -0.738 20 0 CBADRP CC[C@H](C(=O)NC[C@]1(O)CC[N@H+](CCCO)C1)[NH+](C)C ZINC001380566564 898904356 /nfs/dbraw/zinc/90/43/56/898904356.db2.gz QLJFDXGFUYTPFY-TZMCWYRMSA-N 2 0 287.404 -0.738 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCN1CCC([NH2+]CCO)CC1 ZINC001380711582 898936933 /nfs/dbraw/zinc/93/69/33/898936933.db2.gz ITNKKOLSKOMMOG-AWEZNQCLSA-N 2 0 298.431 -0.757 20 0 CBADRP CNC(=O)C[N@H+](C)CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001380970690 898980803 /nfs/dbraw/zinc/98/08/03/898980803.db2.gz LCDNVVNDRKICDY-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCC(C)([NH2+]CC(N)=O)CC2)CC1 ZINC001381125709 898997849 /nfs/dbraw/zinc/99/78/49/898997849.db2.gz GXAPJPSYVQJSMB-UHFFFAOYSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@@H]1CCN(C)C1=O ZINC001381211659 899012029 /nfs/dbraw/zinc/01/20/29/899012029.db2.gz YGXIZVXHMYAGST-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001381223724 899012437 /nfs/dbraw/zinc/01/24/37/899012437.db2.gz QZULRXURJTWHMW-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+]1CCC(CC(=O)NC2CC(C[NH2+]CC(N)=O)C2)CC1 ZINC001381335881 899033016 /nfs/dbraw/zinc/03/30/16/899033016.db2.gz CQJMLNLMIXXCHS-UHFFFAOYSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)[C@H]1CCNC1=O ZINC001381535956 899081064 /nfs/dbraw/zinc/08/10/64/899081064.db2.gz NOAGRJATTDETRF-YPMHNXCESA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001381564680 899082045 /nfs/dbraw/zinc/08/20/45/899082045.db2.gz LRLJCCCNDDMQAD-MNOVXSKESA-N 2 0 272.393 -0.362 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CCn1cncn1 ZINC001381624920 899097924 /nfs/dbraw/zinc/09/79/24/899097924.db2.gz YSXFVAKJBDJLJI-QWHCGFSZSA-N 2 0 294.403 -0.334 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)[NH+](C)C ZINC001381928435 899130773 /nfs/dbraw/zinc/13/07/73/899130773.db2.gz YCSGYFRTSLOGRR-NRWUCQMLSA-N 2 0 296.415 -0.648 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001381916710 899131550 /nfs/dbraw/zinc/13/15/50/899131550.db2.gz AJDUOYYKMRTWQB-CNDDSTCGSA-N 2 0 282.388 -0.893 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001382163053 899166577 /nfs/dbraw/zinc/16/65/77/899166577.db2.gz VSIUZESNFQTXFV-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001382163989 899166838 /nfs/dbraw/zinc/16/68/38/899166838.db2.gz RMOCUXZSJUBJAX-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC1CC[NH+](CC(=O)NC[C@H](CO)[NH2+]CCF)CC1 ZINC001382251309 899214466 /nfs/dbraw/zinc/21/44/66/899214466.db2.gz HWVCXYJUTVUOTD-GFCCVEGCSA-N 2 0 275.368 -0.246 20 0 CBADRP CCC[NH2+][C@H](CO)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001382275253 899228563 /nfs/dbraw/zinc/22/85/63/899228563.db2.gz RBGVMDATHXWZQX-STQMWFEESA-N 2 0 287.404 -0.569 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]C/C=C\Cl ZINC001382275956 899230670 /nfs/dbraw/zinc/23/06/70/899230670.db2.gz VHFIQJLRTMVVQZ-DLRQAJBASA-N 2 0 275.780 -0.099 20 0 CBADRP C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCC[NH+](C)C ZINC001382284130 899232939 /nfs/dbraw/zinc/23/29/39/899232939.db2.gz ITNRLKKMJSFJBG-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382320366 899247067 /nfs/dbraw/zinc/24/70/67/899247067.db2.gz UUVJUXFTNLKZAO-MNOVXSKESA-N 2 0 270.377 -0.737 20 0 CBADRP CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001382402174 899280127 /nfs/dbraw/zinc/28/01/27/899280127.db2.gz RKKFHPMNFKNIIZ-GFCCVEGCSA-N 2 0 297.403 -0.513 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)C[NH+]1CCCC1 ZINC001383099044 899388713 /nfs/dbraw/zinc/38/87/13/899388713.db2.gz RPHXHDGELCNOII-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)C[NH+]1CCCC1 ZINC001383099046 899389893 /nfs/dbraw/zinc/38/98/93/899389893.db2.gz RPHXHDGELCNOII-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CN(CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)C[NH+]1CCCC1 ZINC001455392479 914355951 /nfs/dbraw/zinc/35/59/51/914355951.db2.gz RNMMUQGXMXTPCS-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001385347762 899565352 /nfs/dbraw/zinc/56/53/52/899565352.db2.gz UBMZBZHABIYSFD-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)C[NH+]1CCCC1 ZINC001386888258 899726806 /nfs/dbraw/zinc/72/68/06/899726806.db2.gz HLTGMEWYCRZTPO-ZDUSSCGKSA-N 2 0 296.415 -0.392 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001387034284 899748830 /nfs/dbraw/zinc/74/88/30/899748830.db2.gz ZCVBAVKZSOGOJW-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)CCC[NH+](C)C ZINC001387750606 899823296 /nfs/dbraw/zinc/82/32/96/899823296.db2.gz HRGKHFDOVLDSAA-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP CC[C@H](C(=O)NC1CN(C(=O)C[NH+]2CCCC2)C1)[NH+](C)C ZINC001387758212 899827141 /nfs/dbraw/zinc/82/71/41/899827141.db2.gz UYVOIWIZGBPWNP-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001387816529 899834908 /nfs/dbraw/zinc/83/49/08/899834908.db2.gz YZSRJRNMCQEVEV-UHFFFAOYSA-N 2 0 284.404 -0.393 20 0 CBADRP C[NH+](C)CCCC(=O)NCC1CN(C(=O)CC[NH+](C)C)C1 ZINC001387920852 899847008 /nfs/dbraw/zinc/84/70/08/899847008.db2.gz CGWIEQQVSMVUDV-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001388689186 899902446 /nfs/dbraw/zinc/90/24/46/899902446.db2.gz BAPMVIZMRYLYSM-UMNHJUIQSA-N 2 0 293.371 -0.300 20 0 CBADRP C[N@H+](CC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001388719419 899905399 /nfs/dbraw/zinc/90/53/99/899905399.db2.gz HCEPDVSDOBZNAZ-XYPYZODXSA-N 2 0 282.388 -0.560 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001389198959 899968464 /nfs/dbraw/zinc/96/84/64/899968464.db2.gz ZXYLXGPDIZJFSL-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+](C)CCC(=O)NC1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001389422841 900012093 /nfs/dbraw/zinc/01/20/93/900012093.db2.gz LRQNDCXUYOTZFS-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001389469857 900021038 /nfs/dbraw/zinc/02/10/38/900021038.db2.gz QLXBKKJEKKWABO-ZDUSSCGKSA-N 2 0 299.415 -0.472 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001389801345 900074271 /nfs/dbraw/zinc/07/42/71/900074271.db2.gz ZIPYDIWEGKABEP-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001389806908 900076855 /nfs/dbraw/zinc/07/68/55/900076855.db2.gz ZOECJNRNVMDXOL-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)C1)[NH+](C)C ZINC001389889400 900090504 /nfs/dbraw/zinc/09/05/04/900090504.db2.gz WSIKZGSVDNUWHP-GVXVVHGQSA-N 2 0 294.403 -0.108 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001389905936 900090909 /nfs/dbraw/zinc/09/09/09/900090909.db2.gz LCORCVYAQLILSO-SRVKXCTJSA-N 2 0 282.388 -0.548 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001389938800 900095197 /nfs/dbraw/zinc/09/51/97/900095197.db2.gz SMMZSKWJTFDXMR-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]21 ZINC001389949764 900098406 /nfs/dbraw/zinc/09/84/06/900098406.db2.gz JALKOAZRMQKAPP-OLZOCXBDSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@@H](NCc2nnn(C)n2)C1)[NH+](C)C ZINC001390015155 900102847 /nfs/dbraw/zinc/10/28/47/900102847.db2.gz YVGPRKVWBRCTAH-OUAUKWLOSA-N 2 0 295.391 -0.713 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2ccnc2C)C1 ZINC001390015250 900103679 /nfs/dbraw/zinc/10/36/79/900103679.db2.gz RDFJHVCFKDOZIM-PHIMTYICSA-N 2 0 279.344 -0.826 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001390010706 900103707 /nfs/dbraw/zinc/10/37/07/900103707.db2.gz GWHMUWYFLILHIH-KKOKHZNYSA-N 2 0 282.388 -0.691 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2ccnc2C)C1 ZINC001390014337 900104315 /nfs/dbraw/zinc/10/43/15/900104315.db2.gz OWHYLFABFHHBES-XQQFMLRXSA-N 2 0 296.371 -0.564 20 0 CBADRP CN(C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001389996173 900104411 /nfs/dbraw/zinc/10/44/11/900104411.db2.gz YBNSHQGJCSYXKT-TXEJJXNPSA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001390092418 900115261 /nfs/dbraw/zinc/11/52/61/900115261.db2.gz KEUYVBUMBHUPAS-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001390101729 900115480 /nfs/dbraw/zinc/11/54/80/900115480.db2.gz DLOYWBCRWDMHHY-LBPRGKRZSA-N 2 0 294.399 -0.604 20 0 CBADRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@@H](C)C(N)=O ZINC001390437664 900160185 /nfs/dbraw/zinc/16/01/85/900160185.db2.gz KDLMLRZILDREOW-MNOVXSKESA-N 2 0 282.388 -0.417 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CCn1cncn1)[NH+](C)C ZINC001390466057 900167270 /nfs/dbraw/zinc/16/72/70/900167270.db2.gz HMYFRHQNJGRLMQ-CHWSQXEVSA-N 2 0 296.419 -0.041 20 0 CBADRP C[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)[NH2+]CC(N)=O ZINC001390501919 900176140 /nfs/dbraw/zinc/17/61/40/900176140.db2.gz BLVWIUVSWZKLSJ-NSHDSACASA-N 2 0 296.415 -0.312 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001390506794 900176509 /nfs/dbraw/zinc/17/65/09/900176509.db2.gz HZTSHQJWPDBPHE-TZMCWYRMSA-N 2 0 298.431 -0.101 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001390517537 900179355 /nfs/dbraw/zinc/17/93/55/900179355.db2.gz YXLBWFRQAZVAOK-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001390535299 900184754 /nfs/dbraw/zinc/18/47/54/900184754.db2.gz DGKKPPNMPQYYPX-RYUDHWBXSA-N 2 0 286.420 -0.102 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnnn1C ZINC001390647558 900202565 /nfs/dbraw/zinc/20/25/65/900202565.db2.gz QDIKXOFROYSHCV-WCQYABFASA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCn1cncn1 ZINC001390646971 900203506 /nfs/dbraw/zinc/20/35/06/900203506.db2.gz OBYGMKVZFCELHH-OLZOCXBDSA-N 2 0 294.403 -0.143 20 0 CBADRP C[C@H](CCNC(=O)COC1CC[NH+](C)CC1)[NH2+]CCO ZINC001390711110 900212929 /nfs/dbraw/zinc/21/29/29/900212929.db2.gz GBMWZVQJMAESIW-GFCCVEGCSA-N 2 0 287.404 -0.426 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001390720740 900214259 /nfs/dbraw/zinc/21/42/59/900214259.db2.gz ZPJWFDYNXIFRKU-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@H+](CCNC(=O)CCC[NH+](C)C)[C@H]1CCNC1=O ZINC001390952965 900286998 /nfs/dbraw/zinc/28/69/98/900286998.db2.gz GUZZEMBBMDPWGI-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001391100707 900307605 /nfs/dbraw/zinc/30/76/05/900307605.db2.gz VVCVQHUTAFMJNO-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001391112599 900315212 /nfs/dbraw/zinc/31/52/12/900315212.db2.gz CLOWTMCFHSYYNA-LBPRGKRZSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[C@@H](C(=O)NCCN([C@@H](C)C(N)=O)C1CC1)[NH+](C)C ZINC001391201857 900333507 /nfs/dbraw/zinc/33/35/07/900333507.db2.gz UHUMNCJJOVEOOE-JQWIXIFHSA-N 2 0 284.404 -0.219 20 0 CBADRP CC[C@@H]([NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001391226464 900342074 /nfs/dbraw/zinc/34/20/74/900342074.db2.gz IOTRFVHKRQKVKA-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001391222916 900343725 /nfs/dbraw/zinc/34/37/25/900343725.db2.gz VGEQDDLSFYOORY-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001391220101 900344708 /nfs/dbraw/zinc/34/47/08/900344708.db2.gz OUOVBGDUSPZRKQ-NSHDSACASA-N 2 0 270.377 -0.783 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001391334838 900354682 /nfs/dbraw/zinc/35/46/82/900354682.db2.gz LZSJFYFHVFJFAZ-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP Cn1nccc1CC[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001391497239 900395521 /nfs/dbraw/zinc/39/55/21/900395521.db2.gz PUQGLWRAOVRCLS-UHFFFAOYSA-N 2 0 293.415 -0.038 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001391622732 900423125 /nfs/dbraw/zinc/42/31/25/900423125.db2.gz NUDLYJCWJRXJRV-UONOGXRCSA-N 2 0 299.415 -0.378 20 0 CBADRP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001391668301 900428166 /nfs/dbraw/zinc/42/81/66/900428166.db2.gz VRAPPFXXMVCZLS-YPMHNXCESA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]CC(N)=O ZINC001391744222 900445290 /nfs/dbraw/zinc/44/52/90/900445290.db2.gz RFYNQBOQNQLOLE-CMPLNLGQSA-N 2 0 272.393 -0.458 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001391922233 900463338 /nfs/dbraw/zinc/46/33/38/900463338.db2.gz SFTSOUMJDLKNPP-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001391958894 900474015 /nfs/dbraw/zinc/47/40/15/900474015.db2.gz FLQVAPUVNQOANE-NSHDSACASA-N 2 0 297.407 -0.608 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001392118551 900516041 /nfs/dbraw/zinc/51/60/41/900516041.db2.gz CRRJLDXSRQDXBP-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001392133218 900519125 /nfs/dbraw/zinc/51/91/25/900519125.db2.gz MAYAOCYNNVIQFK-NEPJUHHUSA-N 2 0 294.403 -0.297 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001392174669 900526741 /nfs/dbraw/zinc/52/67/41/900526741.db2.gz XYTBWPUSEIVCGV-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001392183594 900530841 /nfs/dbraw/zinc/53/08/41/900530841.db2.gz RGESINHTOSPUCC-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(N)=O ZINC001392233796 900535809 /nfs/dbraw/zinc/53/58/09/900535809.db2.gz OHGMRYPDWCTMHK-NSHDSACASA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)CCN(C)[C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001392277347 900551418 /nfs/dbraw/zinc/55/14/18/900551418.db2.gz CEDBBWKTAYAYHE-JHJVBQTASA-N 2 0 296.415 -0.395 20 0 CBADRP CN(C)C(=O)CN(C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001392326859 900563384 /nfs/dbraw/zinc/56/33/84/900563384.db2.gz NIBWNDREUGSNHP-UHFFFAOYSA-N 2 0 284.404 -0.439 20 0 CBADRP C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001392348345 900573408 /nfs/dbraw/zinc/57/34/08/900573408.db2.gz YBCNSXRVXHTVRX-WCQYABFASA-N 2 0 296.415 -0.170 20 0 CBADRP Cc1ncoc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001392388983 900597933 /nfs/dbraw/zinc/59/79/33/900597933.db2.gz HWWZNBGSIVKETN-NWDGAFQWSA-N 2 0 296.371 -0.356 20 0 CBADRP CO[C@@H](C)C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001392415828 900612731 /nfs/dbraw/zinc/61/27/31/900612731.db2.gz AKLTXZNYGQNFOI-NWDGAFQWSA-N 2 0 273.377 -0.816 20 0 CBADRP CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001392425986 900614315 /nfs/dbraw/zinc/61/43/15/900614315.db2.gz LYACECKSKXVUDO-NEPJUHHUSA-N 2 0 273.377 -0.959 20 0 CBADRP C[C@@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001392430872 900614377 /nfs/dbraw/zinc/61/43/77/900614377.db2.gz BGVUDBHZDXUBGW-RYUDHWBXSA-N 2 0 294.399 -0.545 20 0 CBADRP C[C@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001392430869 900614888 /nfs/dbraw/zinc/61/48/88/900614888.db2.gz BGVUDBHZDXUBGW-NEPJUHHUSA-N 2 0 294.399 -0.545 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)CC[NH+](C)C ZINC001392592192 900670772 /nfs/dbraw/zinc/67/07/72/900670772.db2.gz JIUUEXBCNREVTM-QWRGUYRKSA-N 2 0 272.393 -0.491 20 0 CBADRP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001392464556 900625629 /nfs/dbraw/zinc/62/56/29/900625629.db2.gz GJLQCXFVSVPFHV-PWSUYJOCSA-N 2 0 280.376 -0.496 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001392480553 900634731 /nfs/dbraw/zinc/63/47/31/900634731.db2.gz OSXWTMFSQHWNDS-NEPJUHHUSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001392506217 900641097 /nfs/dbraw/zinc/64/10/97/900641097.db2.gz RZMLGRRXCOJKNG-VWYCJHECSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001392507783 900642002 /nfs/dbraw/zinc/64/20/02/900642002.db2.gz ZXPSPXRNLLYGGT-AGIUHOORSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001392505617 900642118 /nfs/dbraw/zinc/64/21/18/900642118.db2.gz RCVKHOYDSHSKPI-GRYCIOLGSA-N 2 0 286.420 -0.199 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)C[NH+]1CCCC1 ZINC001392529928 900647573 /nfs/dbraw/zinc/64/75/73/900647573.db2.gz LTYQXCAZOTYWNS-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)NC(=O)CCC[NH+]1CCCC1 ZINC001392536171 900651586 /nfs/dbraw/zinc/65/15/86/900651586.db2.gz LQBXYFNXAQBGES-LLVKDONJSA-N 2 0 270.377 -0.558 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(C)C)[NH+](C)C ZINC001392577153 900666579 /nfs/dbraw/zinc/66/65/79/900666579.db2.gz QZHNEKOBLQBRJC-NWDGAFQWSA-N 2 0 286.420 -0.055 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001392610188 900679122 /nfs/dbraw/zinc/67/91/22/900679122.db2.gz JJGMZPZAEUJPOY-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001392791119 900727590 /nfs/dbraw/zinc/72/75/90/900727590.db2.gz DKNBVYBPNCMZID-AAEUAGOBSA-N 2 0 296.415 -0.441 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001392806519 900728738 /nfs/dbraw/zinc/72/87/38/900728738.db2.gz XUFNZLIHKSTZEK-DGCLKSJQSA-N 2 0 296.415 -0.441 20 0 CBADRP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC(N)=O ZINC001392810486 900730094 /nfs/dbraw/zinc/73/00/94/900730094.db2.gz NLNQZRRZDNZIGO-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH+](C)CCC(=O)NC1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001456403022 914471929 /nfs/dbraw/zinc/47/19/29/914471929.db2.gz LRQNDCXUYOTZFS-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001392992178 900772600 /nfs/dbraw/zinc/77/26/00/900772600.db2.gz OYTAIRCPCDEFJV-SWLSCSKDSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001393045009 900782950 /nfs/dbraw/zinc/78/29/50/900782950.db2.gz GKHKEWUHVPZINR-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(N)=O ZINC001393053233 900786951 /nfs/dbraw/zinc/78/69/51/900786951.db2.gz LNECXPOSRHJAEF-VXGBXAGGSA-N 2 0 284.404 -0.219 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001393056554 900787747 /nfs/dbraw/zinc/78/77/47/900787747.db2.gz SQTXVEQDRDKQDM-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O)[NH+](C)C ZINC001393058899 900788140 /nfs/dbraw/zinc/78/81/40/900788140.db2.gz QWTGGSWWSYCLSG-WCQYABFASA-N 2 0 284.404 -0.362 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001393084496 900790169 /nfs/dbraw/zinc/79/01/69/900790169.db2.gz ZDXAOSHTCGCEQX-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001393105066 900792650 /nfs/dbraw/zinc/79/26/50/900792650.db2.gz FUWWCVZEOVHIKE-GXTWGEPZSA-N 2 0 287.404 -0.474 20 0 CBADRP CC1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@H+](CCO)C2)CC1 ZINC001393268024 900821775 /nfs/dbraw/zinc/82/17/75/900821775.db2.gz IPPJPMIVNMDCOU-HNNXBMFYSA-N 2 0 299.415 -0.736 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001393393560 900851841 /nfs/dbraw/zinc/85/18/41/900851841.db2.gz HJHZWNVPWSAUQN-OLZOCXBDSA-N 2 0 298.431 -0.243 20 0 CBADRP COC[C@H](C)[NH2+]CCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001393471029 900864151 /nfs/dbraw/zinc/86/41/51/900864151.db2.gz XGOPKVALUJIGSB-ZDUSSCGKSA-N 2 0 299.415 -0.472 20 0 CBADRP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001393535158 900871932 /nfs/dbraw/zinc/87/19/32/900871932.db2.gz WAGTYEXWVRMNEH-QWHCGFSZSA-N 2 0 299.415 -0.284 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001393806918 900910271 /nfs/dbraw/zinc/91/02/71/900910271.db2.gz WFCZZCKKBCFMKX-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H](C)C(N)=O ZINC001393824975 900913915 /nfs/dbraw/zinc/91/39/15/900913915.db2.gz WXIUGCXLSMVZMU-QWRGUYRKSA-N 2 0 282.388 -0.560 20 0 CBADRP CN(CC(N)=O)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001393881350 900920643 /nfs/dbraw/zinc/92/06/43/900920643.db2.gz GEDXBKXQZRBMFL-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)[C@H](C)[NH2+]CCO ZINC001393943278 900935211 /nfs/dbraw/zinc/93/52/11/900935211.db2.gz FHTKXCOCUBKZSN-NWDGAFQWSA-N 2 0 297.403 -0.467 20 0 CBADRP CN(C(=O)CCC[NH+](C)C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001394082508 900970706 /nfs/dbraw/zinc/97/07/06/900970706.db2.gz KMRFWOIJNQWNIQ-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001394438382 901026441 /nfs/dbraw/zinc/02/64/41/901026441.db2.gz DXEFGRWFAFTLCO-DGCLKSJQSA-N 2 0 298.431 -0.101 20 0 CBADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001394453557 901027141 /nfs/dbraw/zinc/02/71/41/901027141.db2.gz QIDBTXQDOOSQIQ-VXGBXAGGSA-N 2 0 282.388 -0.750 20 0 CBADRP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001394496368 901039764 /nfs/dbraw/zinc/03/97/64/901039764.db2.gz PUOHKWQXXNKYJS-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N(C)C ZINC001394561740 901051561 /nfs/dbraw/zinc/05/15/61/901051561.db2.gz YBEXJSKGQVPDSP-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP O=C(NC[C@@H](CO)[NH2+]CCF)[C@@H]1C[NH+]2CCC1CC2 ZINC001394587167 901075046 /nfs/dbraw/zinc/07/50/46/901075046.db2.gz OFOBKKHJDAZXBI-NWDGAFQWSA-N 2 0 273.352 -0.636 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cccnc1)[NH+](C)C ZINC001394655775 901109705 /nfs/dbraw/zinc/10/97/05/901109705.db2.gz XHPAWSNDTYGXJW-KBPBESRZSA-N 2 0 294.399 -0.012 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001394662402 901112552 /nfs/dbraw/zinc/11/25/52/901112552.db2.gz MKQVZGYMLAQQEX-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CN1C(=O)C[NH+]1CCCC1 ZINC001394667297 901114599 /nfs/dbraw/zinc/11/45/99/901114599.db2.gz IJYAOPUIXCLPMF-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC)C[C@@H]1C ZINC001394667391 901115506 /nfs/dbraw/zinc/11/55/06/901115506.db2.gz IWTSBNLKEDZAPF-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC)C[C@@H]1C ZINC001394667388 901116405 /nfs/dbraw/zinc/11/64/05/901116405.db2.gz IWTSBNLKEDZAPF-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001394792070 901158215 /nfs/dbraw/zinc/15/82/15/901158215.db2.gz MQEWQOWUTGHZFA-CYBMUJFWSA-N 2 0 287.404 -0.520 20 0 CBADRP C[C@H]([NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C)C(N)=O ZINC001394832003 901161352 /nfs/dbraw/zinc/16/13/52/901161352.db2.gz LPJSYRJJVYZVIB-QWRGUYRKSA-N 2 0 286.420 -0.068 20 0 CBADRP COCC[N@H+](CCO)CCNC(=O)C1CC[NH+](C)CC1 ZINC001394836276 901162508 /nfs/dbraw/zinc/16/25/08/901162508.db2.gz HEYUKUJJEISJRN-UHFFFAOYSA-N 2 0 287.404 -0.615 20 0 CBADRP CCNC(=O)C[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001394860612 901165284 /nfs/dbraw/zinc/16/52/84/901165284.db2.gz UXWYFFYKWCHTGA-UHFFFAOYSA-N 2 0 284.404 -0.347 20 0 CBADRP CN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001394861277 901165497 /nfs/dbraw/zinc/16/54/97/901165497.db2.gz PCGVYFWBXWXIEV-UHFFFAOYSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001395172938 901185105 /nfs/dbraw/zinc/18/51/05/901185105.db2.gz SWGMRDHQCIVXCE-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001397120484 901364556 /nfs/dbraw/zinc/36/45/56/901364556.db2.gz GUDVRXXSSAXYPF-GVXVVHGQSA-N 2 0 284.404 -0.458 20 0 CBADRP C[NH+](C)CCCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001397158799 901369759 /nfs/dbraw/zinc/36/97/59/901369759.db2.gz DUKUVROLUMVRQF-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001397611209 901438880 /nfs/dbraw/zinc/43/88/80/901438880.db2.gz HGDHAVFDEIGIOA-MPZDIEGVSA-N 2 0 296.415 -0.171 20 0 CBADRP CN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)CC[NH+](C)C ZINC001397981531 901485097 /nfs/dbraw/zinc/48/50/97/901485097.db2.gz IMYPZYFDNLAHOS-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)CC1 ZINC001398437360 901538500 /nfs/dbraw/zinc/53/85/00/901538500.db2.gz YKTZKAUDBLJKJG-GFCCVEGCSA-N 2 0 282.388 -0.702 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001398450031 901542171 /nfs/dbraw/zinc/54/21/71/901542171.db2.gz KRJMXJYAUDKUGS-OLZOCXBDSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001398535155 901549534 /nfs/dbraw/zinc/54/95/34/901549534.db2.gz XXZLJPJVGMRWFY-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001398553941 901558145 /nfs/dbraw/zinc/55/81/45/901558145.db2.gz LIFGBAARVDOOHS-SRVKXCTJSA-N 2 0 282.388 -0.689 20 0 CBADRP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)CC1 ZINC001398557040 901559071 /nfs/dbraw/zinc/55/90/71/901559071.db2.gz HNPYTPXBPVHNEI-HAQNSBGRSA-N 2 0 285.388 -0.674 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1)C(=O)N(C)C ZINC001398557793 901559253 /nfs/dbraw/zinc/55/92/53/901559253.db2.gz NKGGZSAWPCGQGL-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001398559947 901562663 /nfs/dbraw/zinc/56/26/63/901562663.db2.gz BVFFOGYXVOEMIJ-AVGNSLFASA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001398663066 901584923 /nfs/dbraw/zinc/58/49/23/901584923.db2.gz NTUYYKKIPZANQF-UTUOFQBUSA-N 2 0 282.388 -0.547 20 0 CBADRP CC(C)[C@H](C(=O)N1CC(NC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001398678860 901587852 /nfs/dbraw/zinc/58/78/52/901587852.db2.gz HEIYDYYIBUOBLT-CQSZACIVSA-N 2 0 298.431 -0.149 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001398765048 901602656 /nfs/dbraw/zinc/60/26/56/901602656.db2.gz QZXXWGSQVCJJIQ-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[C@H](C(=O)NC1CCC([NH2+]CC(N)=O)CC1)[NH+](C)C ZINC001398839680 901609645 /nfs/dbraw/zinc/60/96/45/901609645.db2.gz QAPJXYQDFPFROE-HTAVTVPLSA-N 2 0 284.404 -0.171 20 0 CBADRP Cc1nc(C)n(CC[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)n1 ZINC001399012197 901647480 /nfs/dbraw/zinc/64/74/80/901647480.db2.gz FASVDBJQOYVLOR-NSHDSACASA-N 2 0 296.419 -0.059 20 0 CBADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H]1CCNC1=O ZINC001399022585 901652837 /nfs/dbraw/zinc/65/28/37/901652837.db2.gz FRJBCWDRJMXPBW-WDEREUQCSA-N 2 0 282.388 -0.689 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001399098381 901664469 /nfs/dbraw/zinc/66/44/69/901664469.db2.gz LMAVJRRSWUPUNN-DGCLKSJQSA-N 2 0 286.420 -0.197 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001399230694 901686744 /nfs/dbraw/zinc/68/67/44/901686744.db2.gz CKVMPPYZPOODLM-VXGBXAGGSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001399286767 901691839 /nfs/dbraw/zinc/69/18/39/901691839.db2.gz ISAOCJXEDDMIHL-VXGBXAGGSA-N 2 0 284.404 -0.265 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N(C)C ZINC001399324052 901700571 /nfs/dbraw/zinc/70/05/71/901700571.db2.gz QNJXJYZVANPRSH-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1nncn1C ZINC001399376161 901706579 /nfs/dbraw/zinc/70/65/79/901706579.db2.gz OAMROJJPTFQLLI-LLVKDONJSA-N 2 0 282.392 -0.249 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)CNC(=O)C[NH+]1CCCC1 ZINC001399386598 901708850 /nfs/dbraw/zinc/70/88/50/901708850.db2.gz GGECSVPRAZDFAM-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)C1 ZINC001457420113 914560050 /nfs/dbraw/zinc/56/00/50/914560050.db2.gz ZRTKVQVJZPGFSY-MJBXVCDLSA-N 2 0 280.416 -0.073 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](CC)CCNC(=O)C[NH+]1CCCC1 ZINC001399817834 901810029 /nfs/dbraw/zinc/81/00/29/901810029.db2.gz AJICEPAABAJSOQ-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001399921918 901837019 /nfs/dbraw/zinc/83/70/19/901837019.db2.gz CNIQRFXZADKOSB-ZDUSSCGKSA-N 2 0 294.403 -0.332 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001400054872 901865660 /nfs/dbraw/zinc/86/56/60/901865660.db2.gz MQBNKGNCQHGIHH-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[N@H+](C)CCC(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001400084584 901875421 /nfs/dbraw/zinc/87/54/21/901875421.db2.gz VDTOGNMSWHOKSG-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CO[C@@H](C)CN1CC(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001400448518 901943208 /nfs/dbraw/zinc/94/32/08/901943208.db2.gz JCSHGPAFOBWPMM-OLZOCXBDSA-N 2 0 299.415 -0.210 20 0 CBADRP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001400896167 902031551 /nfs/dbraw/zinc/03/15/51/902031551.db2.gz CBUXTFGLZIRHRE-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001401106552 902056217 /nfs/dbraw/zinc/05/62/17/902056217.db2.gz JFVRBZPIZSQXBS-NWDGAFQWSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001401117836 902058116 /nfs/dbraw/zinc/05/81/16/902058116.db2.gz WZTWQVLBPFSMLN-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001401117827 902058210 /nfs/dbraw/zinc/05/82/10/902058210.db2.gz WZTWQVLBPFSMLN-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001401132353 902062273 /nfs/dbraw/zinc/06/22/73/902062273.db2.gz BHRVSINIODZDRJ-LBPRGKRZSA-N 2 0 296.415 -0.440 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001401141351 902064435 /nfs/dbraw/zinc/06/44/35/902064435.db2.gz WXXWGYMESDAMNI-NEPJUHHUSA-N 2 0 284.404 -0.584 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001401236931 902087048 /nfs/dbraw/zinc/08/70/48/902087048.db2.gz HMCPLKHJRKVHRW-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001401221343 902088324 /nfs/dbraw/zinc/08/83/24/902088324.db2.gz OVXPNKKHUFRPLM-WCQYABFASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001401220578 902088512 /nfs/dbraw/zinc/08/85/12/902088512.db2.gz NBCCSNTWXRQFQW-GFCCVEGCSA-N 2 0 298.431 -0.005 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001401251634 902091014 /nfs/dbraw/zinc/09/10/14/902091014.db2.gz ATPVCQYHCSJFBN-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001401255138 902095006 /nfs/dbraw/zinc/09/50/06/902095006.db2.gz OHUKGACSNPSUGQ-STQMWFEESA-N 2 0 299.415 -0.474 20 0 CBADRP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)C(N)=O ZINC001401353087 902110022 /nfs/dbraw/zinc/11/00/22/902110022.db2.gz RZHNFHRNSRTOER-NWDGAFQWSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccccn1)[NH+](C)C ZINC001401554769 902164916 /nfs/dbraw/zinc/16/49/16/902164916.db2.gz KSXXBGWOUPNONZ-KBPBESRZSA-N 2 0 294.399 -0.012 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccccn1 ZINC001401556550 902165059 /nfs/dbraw/zinc/16/50/59/902165059.db2.gz MNVOYFTWEWSUMK-UONOGXRCSA-N 2 0 292.383 -0.258 20 0 CBADRP Cc1cccnc1C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001401557997 902166059 /nfs/dbraw/zinc/16/60/59/902166059.db2.gz PARFKGDWCFCMPD-CYBMUJFWSA-N 2 0 294.399 -0.092 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001401570053 902172184 /nfs/dbraw/zinc/17/21/84/902172184.db2.gz SSZOTGGGYZZICD-VXGBXAGGSA-N 2 0 285.388 -0.938 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1ccn(C)n1 ZINC001401589205 902179746 /nfs/dbraw/zinc/17/97/46/902179746.db2.gz PRTDIUQNYVSPEU-CYBMUJFWSA-N 2 0 297.403 -0.673 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)C[N@H+](C)C1CCC1 ZINC001401611946 902189975 /nfs/dbraw/zinc/18/99/75/902189975.db2.gz UKVIBKHASWMSKE-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NC ZINC001401626012 902199433 /nfs/dbraw/zinc/19/94/33/902199433.db2.gz DTHDQNMGRBZSII-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H]([NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C(N)=O ZINC001401687969 902232465 /nfs/dbraw/zinc/23/24/65/902232465.db2.gz MPCCKIKIPWPVCK-SRVKXCTJSA-N 2 0 286.420 -0.069 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401702430 902238978 /nfs/dbraw/zinc/23/89/78/902238978.db2.gz PMQDVYSNXIZQLG-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001401961818 902325236 /nfs/dbraw/zinc/32/52/36/902325236.db2.gz SDEMRYQWLNSEHU-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP CC[C@H]([NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1)C(N)=O ZINC001401976252 902331379 /nfs/dbraw/zinc/33/13/79/902331379.db2.gz IGHSHBBOMPFFIO-NSHDSACASA-N 2 0 294.399 -0.416 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001402062500 902346130 /nfs/dbraw/zinc/34/61/30/902346130.db2.gz UEEQZLAOKHVABO-AVGNSLFASA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001402060356 902347508 /nfs/dbraw/zinc/34/75/08/902347508.db2.gz PTGZHVVTHRYWGV-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1)C(N)=O ZINC001402078525 902349174 /nfs/dbraw/zinc/34/91/74/902349174.db2.gz MWWPBRMMQAPNOO-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP CN1CCC[C@H]([N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001402177900 902378606 /nfs/dbraw/zinc/37/86/06/902378606.db2.gz CKGOAIFJRDDWCS-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP O=C(CC[NH+]1CCCCC1)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001402299854 902415206 /nfs/dbraw/zinc/41/52/06/902415206.db2.gz AEJZXFIOEMFIGF-OAHLLOKOSA-N 2 0 299.415 -0.592 20 0 CBADRP COCC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001402298110 902416559 /nfs/dbraw/zinc/41/65/59/902416559.db2.gz UHUNGFGXISVWCE-AWEZNQCLSA-N 2 0 285.388 -0.718 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001402460148 902455316 /nfs/dbraw/zinc/45/53/16/902455316.db2.gz IGCPXLAHFGZQJI-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001402457495 902456144 /nfs/dbraw/zinc/45/61/44/902456144.db2.gz NKGJKJGSNLQFMT-DZGCQCFKSA-N 2 0 299.415 -0.736 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001402513711 902469474 /nfs/dbraw/zinc/46/94/74/902469474.db2.gz NQJURVKHCZESIU-ZDEQEGDKSA-N 2 0 296.415 -0.206 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402539990 902476193 /nfs/dbraw/zinc/47/61/93/902476193.db2.gz ZJQIAPOZJUHDMU-XYPYZODXSA-N 2 0 280.372 -0.935 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)C(=O)N(C)C ZINC001402555543 902477300 /nfs/dbraw/zinc/47/73/00/902477300.db2.gz ZHMVXDSUQRGLBT-CYDGBPFRSA-N 2 0 296.415 -0.348 20 0 CBADRP CC[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1)C(N)=O ZINC001402635145 902495192 /nfs/dbraw/zinc/49/51/92/902495192.db2.gz UCXUJWTZTUTZPV-KXNHARMFSA-N 2 0 284.404 -0.173 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)[C@@H](C)C(N)=O ZINC001402682502 902500675 /nfs/dbraw/zinc/50/06/75/902500675.db2.gz RJDKLMSDMQJBPW-LBPRGKRZSA-N 2 0 286.420 -0.019 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001402702635 902504141 /nfs/dbraw/zinc/50/41/41/902504141.db2.gz VEFWOUNECMCMDQ-STQMWFEESA-N 2 0 296.415 -0.358 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001402723192 902507649 /nfs/dbraw/zinc/50/76/49/902507649.db2.gz UAOVDMIRORARBY-HNNXBMFYSA-N 2 0 296.415 -0.262 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001402713815 902508736 /nfs/dbraw/zinc/50/87/36/902508736.db2.gz HSBMRIVTWCZGSQ-NEPJUHHUSA-N 2 0 282.388 -0.748 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001402725344 902509618 /nfs/dbraw/zinc/50/96/18/902509618.db2.gz RTEIRTOMIKKZSD-ZFWWWQNUSA-N 2 0 299.415 -0.594 20 0 CBADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O)[NH+](C)C ZINC001402760213 902515977 /nfs/dbraw/zinc/51/59/77/902515977.db2.gz WIELKAQKSQBCSC-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[N@@H+](CC(N)=O)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001402882290 902551672 /nfs/dbraw/zinc/55/16/72/902551672.db2.gz GJYZIPFWTBTZKF-UHFFFAOYSA-N 2 0 298.431 -0.016 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001402888782 902551698 /nfs/dbraw/zinc/55/16/98/902551698.db2.gz OUQPJZISVWWMGK-NWDGAFQWSA-N 2 0 284.404 -0.301 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001402908707 902559606 /nfs/dbraw/zinc/55/96/06/902559606.db2.gz QAFWVZOAQHTZTR-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001403047633 902597373 /nfs/dbraw/zinc/59/73/73/902597373.db2.gz JYFMBHYITKWDNW-RYUDHWBXSA-N 2 0 286.420 -0.055 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N1CCC1 ZINC001403037775 902599184 /nfs/dbraw/zinc/59/91/84/902599184.db2.gz FGMBIWQCCRCAFX-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCn1cncn1 ZINC001403086461 902613407 /nfs/dbraw/zinc/61/34/07/902613407.db2.gz POUDABJYTYWGFG-LBPRGKRZSA-N 2 0 292.387 -0.532 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N1CCC1 ZINC001403128181 902624329 /nfs/dbraw/zinc/62/43/29/902624329.db2.gz DNVYCUYKRQELQQ-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP CC(C)NC(=O)CN(C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001403209801 902646691 /nfs/dbraw/zinc/64/66/91/902646691.db2.gz ZOGNCMGPWNOVNI-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)[C@H](C)N(C)[C@H](C)CNC(=O)Cn1ccnc1 ZINC001403216074 902651355 /nfs/dbraw/zinc/65/13/55/902651355.db2.gz JLSXGLMCZJIOHF-MNOVXSKESA-N 2 0 281.360 -0.546 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001403213909 902651483 /nfs/dbraw/zinc/65/14/83/902651483.db2.gz UOXNAHUVDNBCGR-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001403224564 902653557 /nfs/dbraw/zinc/65/35/57/902653557.db2.gz PAWOXRQYMKODFK-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001403263440 902658735 /nfs/dbraw/zinc/65/87/35/902658735.db2.gz QKNMJJOEFMUZAS-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001403263438 902659958 /nfs/dbraw/zinc/65/99/58/902659958.db2.gz QKNMJJOEFMUZAS-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001403245283 902660258 /nfs/dbraw/zinc/66/02/58/902660258.db2.gz PGEUSIFTCZZBQJ-GFCCVEGCSA-N 2 0 284.404 -0.358 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001403282956 902661532 /nfs/dbraw/zinc/66/15/32/902661532.db2.gz VDSUHFIVUJWVNU-STQMWFEESA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001403413756 902683213 /nfs/dbraw/zinc/68/32/13/902683213.db2.gz JHAQDBNXJHWMTD-IJLUTSLNSA-N 2 0 296.415 -0.171 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001403453672 902692092 /nfs/dbraw/zinc/69/20/92/902692092.db2.gz BHFGYYTWENXFDU-SRVKXCTJSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ncnn1C ZINC001403471040 902696091 /nfs/dbraw/zinc/69/60/91/902696091.db2.gz RXYNDQMYTJNPBE-GFCCVEGCSA-N 2 0 294.403 -0.105 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001403462026 902696926 /nfs/dbraw/zinc/69/69/26/902696926.db2.gz GYQFGWLAMWVEJL-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCC([N@H+](C)CC(N)=O)CC2)CC1 ZINC001403488837 902699316 /nfs/dbraw/zinc/69/93/16/902699316.db2.gz QCAGQVYTBPKVRT-UHFFFAOYSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[C@H](C(=O)N(C)[C@H](C[NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001403543673 902724125 /nfs/dbraw/zinc/72/41/25/902724125.db2.gz YUFFWPCWEDWEPB-VXGBXAGGSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC(=O)N1CCCC1 ZINC001403580358 902739122 /nfs/dbraw/zinc/73/91/22/902739122.db2.gz FKRRDRQLKARDIE-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+][C@H]1CCN(C)C1=O ZINC001403583275 902740020 /nfs/dbraw/zinc/74/00/20/902740020.db2.gz JTJJKLQFALYHHN-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]CC(=O)N(C)C ZINC001403598475 902746320 /nfs/dbraw/zinc/74/63/20/902746320.db2.gz ZGBZQNJAEBIIQE-LBPRGKRZSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001403601989 902746350 /nfs/dbraw/zinc/74/63/50/902746350.db2.gz ONXUTTDBZOTGCX-LBPRGKRZSA-N 2 0 286.420 -0.101 20 0 CBADRP C[NH+](C)CCC(=O)NCC[N@H+](C)CCN1CCCC1=O ZINC001403655499 902781601 /nfs/dbraw/zinc/78/16/01/902781601.db2.gz BLMDRAJJBMPBBM-UHFFFAOYSA-N 2 0 284.404 -0.392 20 0 CBADRP CC[C@@H](F)C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001403729910 902823967 /nfs/dbraw/zinc/82/39/67/902823967.db2.gz QBEROKVEGJJMTE-NEPJUHHUSA-N 2 0 287.379 -0.103 20 0 CBADRP C[C@@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CC[NH+](C)C ZINC001403749799 902835544 /nfs/dbraw/zinc/83/55/44/902835544.db2.gz RJAIRLGSIFWOGF-NEPJUHHUSA-N 2 0 284.404 -0.395 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001403750482 902836276 /nfs/dbraw/zinc/83/62/76/902836276.db2.gz RQGSBCZFEFWKTQ-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)C[C@@H]1C ZINC001403751952 902836713 /nfs/dbraw/zinc/83/67/13/902836713.db2.gz NNBQQKMOHHFAIR-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H]1[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CC[NH+](C)C ZINC001403749801 902839084 /nfs/dbraw/zinc/83/90/84/902839084.db2.gz RJAIRLGSIFWOGF-NWDGAFQWSA-N 2 0 284.404 -0.395 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001403808931 902853967 /nfs/dbraw/zinc/85/39/67/902853967.db2.gz QVJOAKSZXQINNS-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001403808945 902857620 /nfs/dbraw/zinc/85/76/20/902857620.db2.gz QVJOAKSZXQINNS-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+]1CCC(OCC(=O)NC[C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001404001567 902920464 /nfs/dbraw/zinc/92/04/64/902920464.db2.gz FUMQLEMGZFPUNI-ZDUSSCGKSA-N 2 0 299.415 -0.330 20 0 CBADRP CNC(=O)C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001404012233 902923980 /nfs/dbraw/zinc/92/39/80/902923980.db2.gz BPXMXNAXYJNBOS-PNESKVBLSA-N 2 0 296.415 -0.347 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001404098293 902939216 /nfs/dbraw/zinc/93/92/16/902939216.db2.gz ZPVIOOOCCKCUGC-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[C@@H]([NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C)C(N)=O ZINC001404338679 902979066 /nfs/dbraw/zinc/97/90/66/902979066.db2.gz ZVARSZHCITYXKT-LLVKDONJSA-N 2 0 272.393 -0.362 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@H]1CCCNC1=O ZINC001404432222 902985137 /nfs/dbraw/zinc/98/51/37/902985137.db2.gz DJXBTKDOOYEFPG-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001458793511 914677711 /nfs/dbraw/zinc/67/77/11/914677711.db2.gz DZXQXKRGXKNJMB-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001458796893 914678132 /nfs/dbraw/zinc/67/81/32/914678132.db2.gz NKQMWVGXNXOSFA-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H](O)COC ZINC001404979175 903065263 /nfs/dbraw/zinc/06/52/63/903065263.db2.gz LNSPBHMXUKGYEO-IHRRRGAJSA-N 2 0 299.415 -0.379 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001405357021 903154129 /nfs/dbraw/zinc/15/41/29/903154129.db2.gz ZKBOQTYZLZFPDN-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001405704138 903205915 /nfs/dbraw/zinc/20/59/15/903205915.db2.gz ZKFWPFQNMWHIAJ-NEPJUHHUSA-N 2 0 286.420 -0.243 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001405734451 903211680 /nfs/dbraw/zinc/21/16/80/903211680.db2.gz PAOJVKDUHRSNJQ-OLZOCXBDSA-N 2 0 299.415 -0.569 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001405748867 903213760 /nfs/dbraw/zinc/21/37/60/903213760.db2.gz ZFYOLHCPYXKREW-QWHCGFSZSA-N 2 0 298.431 -0.194 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001405745748 903213869 /nfs/dbraw/zinc/21/38/69/903213869.db2.gz UZBFPPKJIDAUDJ-GHMZBOCLSA-N 2 0 270.377 -0.974 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCOC2)CCO1 ZINC001405876341 903242611 /nfs/dbraw/zinc/24/26/11/903242611.db2.gz NUEKCTNRMSUWKF-ZIAGYGMSSA-N 2 0 299.415 -0.208 20 0 CBADRP CCNC(=O)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001406070942 903264887 /nfs/dbraw/zinc/26/48/87/903264887.db2.gz NPOXILMCAJPEFD-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001406216070 903304491 /nfs/dbraw/zinc/30/44/91/903304491.db2.gz ZOMOBAITNDTHPC-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]Cc1cccnc1 ZINC001406255152 903325540 /nfs/dbraw/zinc/32/55/40/903325540.db2.gz FZNAZIGCBQYDPV-ZDUSSCGKSA-N 2 0 280.372 -0.400 20 0 CBADRP C[C@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)CCc1c[nH]cn1 ZINC001406293062 903344169 /nfs/dbraw/zinc/34/41/69/903344169.db2.gz BBUYVNJTNVMMIK-PWSUYJOCSA-N 2 0 293.371 -0.285 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001406321405 903354336 /nfs/dbraw/zinc/35/43/36/903354336.db2.gz DXGYYYPRFBCQLQ-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001406358323 903374089 /nfs/dbraw/zinc/37/40/89/903374089.db2.gz GIPRLYJTTNWEOA-NQBHXWOUSA-N 2 0 296.415 -0.301 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001406373009 903380154 /nfs/dbraw/zinc/38/01/54/903380154.db2.gz GXUYOWHHPOCKOC-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001406387839 903387537 /nfs/dbraw/zinc/38/75/37/903387537.db2.gz UBPJBWMYGXFZQQ-GRYCIOLGSA-N 2 0 284.404 -0.348 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(=O)NC1CC1)NC(=O)CC[NH+](C)C ZINC001406405066 903390107 /nfs/dbraw/zinc/39/01/07/903390107.db2.gz LAHLMNKXICCVCS-MNOVXSKESA-N 2 0 284.404 -0.301 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001406424142 903400395 /nfs/dbraw/zinc/40/03/95/903400395.db2.gz UYSJIYSIXXUYKU-PWSUYJOCSA-N 2 0 272.393 -0.587 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001406481947 903413999 /nfs/dbraw/zinc/41/39/99/903413999.db2.gz NGYAMTDDOYZFBU-WCQYABFASA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001406510389 903423410 /nfs/dbraw/zinc/42/34/10/903423410.db2.gz DDFYNTYKQKGRNF-AVGNSLFASA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(=O)NC1CC1)NC(=O)C[NH+]1CCCC1 ZINC001406566751 903433581 /nfs/dbraw/zinc/43/35/81/903433581.db2.gz ZZWWBDFJYWIRTP-RYUDHWBXSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](C[N@H+](C)CCN1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001406648841 903457267 /nfs/dbraw/zinc/45/72/67/903457267.db2.gz AZYAPKUAVFHCLN-LBPRGKRZSA-N 2 0 299.419 -0.600 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001406812755 903483257 /nfs/dbraw/zinc/48/32/57/903483257.db2.gz DAAAXWPPLKSEHB-YPMHNXCESA-N 2 0 298.431 -0.055 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1)C(N)=O ZINC001406957679 903516104 /nfs/dbraw/zinc/51/61/04/903516104.db2.gz KZVFGDQCDMRJCZ-WDEREUQCSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1)C(N)=O ZINC001406957662 903517794 /nfs/dbraw/zinc/51/77/94/903517794.db2.gz KZVFGDQCDMRJCZ-GHMZBOCLSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH+](C)CCCC(=O)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001406960774 903517867 /nfs/dbraw/zinc/51/78/67/903517867.db2.gz OPPSBEUQILRMOG-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP Cn1nncc1C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001406954962 903517937 /nfs/dbraw/zinc/51/79/37/903517937.db2.gz NRKSQSXIEXFOCM-GFCCVEGCSA-N 2 0 292.387 -0.352 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001406986721 903525796 /nfs/dbraw/zinc/52/57/96/903525796.db2.gz JVHMKGWWXYERKL-NEPJUHHUSA-N 2 0 294.399 -0.545 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC001406986726 903526407 /nfs/dbraw/zinc/52/64/07/903526407.db2.gz JVHMKGWWXYERKL-NWDGAFQWSA-N 2 0 294.399 -0.545 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001407159316 903554047 /nfs/dbraw/zinc/55/40/47/903554047.db2.gz BELGTNHVYOUXLX-UMVBOHGHSA-N 2 0 299.415 -0.332 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC2(C)CC[NH+](CC(N)=O)CC2)C1 ZINC001407272912 903559838 /nfs/dbraw/zinc/55/98/38/903559838.db2.gz WVPJNIVDAACXCV-LBPRGKRZSA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001407347246 903576276 /nfs/dbraw/zinc/57/62/76/903576276.db2.gz MJTSHZVWWCUTQU-WFASDCNBSA-N 2 0 299.415 -0.596 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001407369873 903582978 /nfs/dbraw/zinc/58/29/78/903582978.db2.gz SOKJFGVKNHSBEF-SWLSCSKDSA-N 2 0 299.415 -0.738 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001407547586 903628189 /nfs/dbraw/zinc/62/81/89/903628189.db2.gz QPMYXHMYRIWHNJ-GHMZBOCLSA-N 2 0 270.377 -0.750 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001407547616 903628201 /nfs/dbraw/zinc/62/82/01/903628201.db2.gz QPMYXHMYRIWHNJ-WDEREUQCSA-N 2 0 270.377 -0.750 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)CC1 ZINC001407766231 903654976 /nfs/dbraw/zinc/65/49/76/903654976.db2.gz RIVSDDKNCKYJEB-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)CC1 ZINC001407764133 903655327 /nfs/dbraw/zinc/65/53/27/903655327.db2.gz KFHZCZSIHBUGLK-CYBMUJFWSA-N 2 0 296.415 -0.216 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001407802419 903662998 /nfs/dbraw/zinc/66/29/98/903662998.db2.gz RJSNGLZYHMAHFN-UHFFFAOYSA-N 2 0 270.377 -0.687 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001407883412 903675463 /nfs/dbraw/zinc/67/54/63/903675463.db2.gz YJPLCEHCZNXQBD-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001408303490 903749575 /nfs/dbraw/zinc/74/95/75/903749575.db2.gz RVGLLLPVGOGVES-RWMBFGLXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)NC(=O)CC[NH+](C)C ZINC001408336246 903751524 /nfs/dbraw/zinc/75/15/24/903751524.db2.gz SCNOSDLXTOZBJT-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCn1cncn1 ZINC001409535816 903916185 /nfs/dbraw/zinc/91/61/85/903916185.db2.gz ZQBGWNUEVLRTQI-OLZOCXBDSA-N 2 0 294.403 -0.191 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001409682740 903956960 /nfs/dbraw/zinc/95/69/60/903956960.db2.gz NSXIIRMMQDXZTG-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001410233702 904050300 /nfs/dbraw/zinc/05/03/00/904050300.db2.gz YBCFVFRUDQDXTN-AVGNSLFASA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+][C@@H](C)C(N)=O ZINC001410412337 904092730 /nfs/dbraw/zinc/09/27/30/904092730.db2.gz FWSHLVAEAJZIBE-RYUDHWBXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001410477709 904104508 /nfs/dbraw/zinc/10/45/08/904104508.db2.gz BLIUYLUCDCUFHP-QWRGUYRKSA-N 2 0 270.377 -0.750 20 0 CBADRP C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001410477696 904105035 /nfs/dbraw/zinc/10/50/35/904105035.db2.gz BLIUYLUCDCUFHP-GHMZBOCLSA-N 2 0 270.377 -0.750 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]1CNC(=O)CC[NH+](C)C)[NH+](C)C ZINC001410655800 904154048 /nfs/dbraw/zinc/15/40/48/904154048.db2.gz ZEXYOPVYHNBGKP-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](CO)[NH2+]CCO)C1 ZINC001410718830 904168784 /nfs/dbraw/zinc/16/87/84/904168784.db2.gz BVCHELNAUKYPRJ-CHWSQXEVSA-N 2 0 287.404 -0.833 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001411042741 904228159 /nfs/dbraw/zinc/22/81/59/904228159.db2.gz LXWUMPZKAAEDQH-DGCLKSJQSA-N 2 0 287.404 -0.740 20 0 CBADRP COCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C[C@@H](C)O ZINC001411213298 904263865 /nfs/dbraw/zinc/26/38/65/904263865.db2.gz FOUNOMRFKVDCTH-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP COCC[N@H+](CCO)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001411223051 904267989 /nfs/dbraw/zinc/26/79/89/904267989.db2.gz HGFFPXKIZIJJBS-ZDUSSCGKSA-N 2 0 287.404 -0.472 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]CC(=O)N(C)C)C1 ZINC001411247846 904274542 /nfs/dbraw/zinc/27/45/42/904274542.db2.gz GERWWRJSXMGAFA-UHFFFAOYSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C[NH+](C)C ZINC001412447748 904573480 /nfs/dbraw/zinc/57/34/80/904573480.db2.gz PGXAZNKCQWGOIK-LPWJVIDDSA-N 2 0 296.415 -0.694 20 0 CBADRP COC(=O)[C@@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)CC[NH+](C)C1 ZINC001413004279 904860176 /nfs/dbraw/zinc/86/01/76/904860176.db2.gz APQFDUJFLMMJTC-GXTWGEPZSA-N 2 0 299.415 -0.522 20 0 CBADRP CN(CC[N@H+](C)CCO)C(=O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC001413327257 905020591 /nfs/dbraw/zinc/02/05/91/905020591.db2.gz PBZLDPOEZAINDB-CHWSQXEVSA-N 2 0 287.404 -0.786 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](C)[NH+](C)C ZINC001413724792 905178748 /nfs/dbraw/zinc/17/87/48/905178748.db2.gz DFTNEKISYAUSAR-STQMWFEESA-N 2 0 285.436 -0.128 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001415258868 905595820 /nfs/dbraw/zinc/59/58/20/905595820.db2.gz SSWLLRBJYIIRFJ-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001415336465 905601605 /nfs/dbraw/zinc/60/16/05/905601605.db2.gz QYZMXMNOEDGOHA-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP C[NH+](C)CCC(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001415997744 905691340 /nfs/dbraw/zinc/69/13/40/905691340.db2.gz WQQHSECJURALEC-LLVKDONJSA-N 2 0 282.388 -0.783 20 0 CBADRP C[NH+](C)CCCC(=O)NC1CN(C(=O)C[NH+]2CCCC2)C1 ZINC001416039985 905698615 /nfs/dbraw/zinc/69/86/15/905698615.db2.gz PVNMGCXMPJFDTH-UHFFFAOYSA-N 2 0 296.415 -0.249 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001417021518 905853126 /nfs/dbraw/zinc/85/31/26/905853126.db2.gz LWNSIUYPLIFHKO-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CCN1C(=O)CC[NH+](C)C ZINC001417078501 905859466 /nfs/dbraw/zinc/85/94/66/905859466.db2.gz XJNMSZVHWKWPEW-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH]cn2)C1)C(N)=O ZINC001417789477 906050117 /nfs/dbraw/zinc/05/01/17/906050117.db2.gz ALAAZBSDPJKFEK-CKYFFXLPSA-N 2 0 293.371 -0.300 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001417800974 906056637 /nfs/dbraw/zinc/05/66/37/906056637.db2.gz VHGGCGNXOVYKFW-IHRRRGAJSA-N 2 0 299.415 -0.569 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001417801796 906058424 /nfs/dbraw/zinc/05/84/24/906058424.db2.gz MYZXMVODZXHSHG-FDYHWXHSSA-N 2 0 296.415 -0.443 20 0 CBADRP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001417813456 906058779 /nfs/dbraw/zinc/05/87/79/906058779.db2.gz OCVVMAKLDZMZMQ-RWMBFGLXSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@H](C(=O)NC[C@H]([NH2+]CC(=O)NC)C1CC1)[NH+](C)C ZINC001417985215 906131849 /nfs/dbraw/zinc/13/18/49/906131849.db2.gz QVDHQWDSXVCORF-NWDGAFQWSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]([NH2+]CCO)C1CC1 ZINC001418010680 906134815 /nfs/dbraw/zinc/13/48/15/906134815.db2.gz APZFRODPSHKJGU-TZMCWYRMSA-N 2 0 299.415 -0.569 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]([NH2+]CCO)C1CC1 ZINC001418010677 906135109 /nfs/dbraw/zinc/13/51/09/906135109.db2.gz APZFRODPSHKJGU-JSGCOSHPSA-N 2 0 299.415 -0.569 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001418059027 906155308 /nfs/dbraw/zinc/15/53/08/906155308.db2.gz ROIKXCXXXQNSQQ-DHGKCCLASA-N 2 0 299.415 -0.429 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001418062970 906155581 /nfs/dbraw/zinc/15/55/81/906155581.db2.gz CJKWGHLUTNGSEX-IJLUTSLNSA-N 2 0 294.399 -0.547 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)[NH+](C)C ZINC001418067369 906155651 /nfs/dbraw/zinc/15/56/51/906155651.db2.gz ZCECHJDIBDVJQJ-FIQHERPVSA-N 2 0 282.388 -0.548 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001418075145 906158718 /nfs/dbraw/zinc/15/87/18/906158718.db2.gz ISAXIDKLYGHDER-JOCQHMNTSA-N 2 0 296.415 -0.025 20 0 CBADRP CCn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)nn1 ZINC001418104730 906172479 /nfs/dbraw/zinc/17/24/79/906172479.db2.gz OUVLODMGUOQWRD-TXEJJXNPSA-N 2 0 294.403 -0.014 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1)C(N)=O ZINC001418113023 906173247 /nfs/dbraw/zinc/17/32/47/906173247.db2.gz JMEXAUKHKLSACG-RWMBFGLXSA-N 2 0 296.415 -0.027 20 0 CBADRP C[NH+](C)CCC(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001418186596 906188039 /nfs/dbraw/zinc/18/80/39/906188039.db2.gz VOFDIYADPCZLNY-UHFFFAOYSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC(=O)N(C)C ZINC001418226571 906224640 /nfs/dbraw/zinc/22/46/40/906224640.db2.gz LLTSGXACXNSSHN-YPMHNXCESA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H](C)C(N)=O ZINC001418232306 906226723 /nfs/dbraw/zinc/22/67/23/906226723.db2.gz CVUJDOVDCVLOSZ-UWVGGRQHSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001418244498 906235481 /nfs/dbraw/zinc/23/54/81/906235481.db2.gz YQAMERCNXZWLNO-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001418302827 906269683 /nfs/dbraw/zinc/26/96/83/906269683.db2.gz JVUUKYNJYLRSGB-NWDGAFQWSA-N 2 0 287.404 -0.428 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001418329914 906286216 /nfs/dbraw/zinc/28/62/16/906286216.db2.gz ZXLNSQRMRDADJL-LBPRGKRZSA-N 2 0 296.415 -0.251 20 0 CBADRP CCCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001418433586 906317981 /nfs/dbraw/zinc/31/79/81/906317981.db2.gz SGMYJJBAWCXWIF-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CCNC(=O)Cc1ncc[nH]1)C(=O)N(C)C ZINC001418432386 906321413 /nfs/dbraw/zinc/32/14/13/906321413.db2.gz XCEJUNBBQYTMLV-WDEREUQCSA-N 2 0 295.387 -0.087 20 0 CBADRP C[C@H](C(N)=O)N(C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001418471964 906353109 /nfs/dbraw/zinc/35/31/09/906353109.db2.gz XEJZOYBURRURAH-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C[C@H](O)COC ZINC001418538487 906399120 /nfs/dbraw/zinc/39/91/20/906399120.db2.gz DPXURAFTLZUJQH-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001418639954 906434704 /nfs/dbraw/zinc/43/47/04/906434704.db2.gz OWCOQKXBGSGRBM-SDDRHHMPSA-N 2 0 284.404 -0.314 20 0 CBADRP CN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001418637841 906434810 /nfs/dbraw/zinc/43/48/10/906434810.db2.gz GIZSMCYKOCSOBQ-XQQFMLRXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH+](C)CCCC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001418699142 906448784 /nfs/dbraw/zinc/44/87/84/906448784.db2.gz IAADFRWXPPZRRA-AVGNSLFASA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001418701568 906449525 /nfs/dbraw/zinc/44/95/25/906449525.db2.gz KBIRWIPMIZSFRM-YVECIDJPSA-N 2 0 296.415 -0.314 20 0 CBADRP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001418813214 906484547 /nfs/dbraw/zinc/48/45/47/906484547.db2.gz VAALKZVFFKBJQC-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001418813217 906485500 /nfs/dbraw/zinc/48/55/00/906485500.db2.gz VAALKZVFFKBJQC-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001418825924 906488164 /nfs/dbraw/zinc/48/81/64/906488164.db2.gz IKJBGMBRCPQHTR-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001418825594 906489828 /nfs/dbraw/zinc/48/98/28/906489828.db2.gz IRPLAAUYSFAYMY-GFCCVEGCSA-N 2 0 298.431 -0.147 20 0 CBADRP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001418835271 906494427 /nfs/dbraw/zinc/49/44/27/906494427.db2.gz WWKXSLPGJQQFMG-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001418835269 906495160 /nfs/dbraw/zinc/49/51/60/906495160.db2.gz WWKXSLPGJQQFMG-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001418906693 906510501 /nfs/dbraw/zinc/51/05/01/906510501.db2.gz VSSMLDDIYFEEDY-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001418942356 906522747 /nfs/dbraw/zinc/52/27/47/906522747.db2.gz LSCPNNKEHIBXQU-GFCCVEGCSA-N 2 0 282.388 -0.652 20 0 CBADRP CCN(C)C(=O)CN1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001419037113 906569826 /nfs/dbraw/zinc/56/98/26/906569826.db2.gz FCCSASZCWFJQSP-CYBMUJFWSA-N 2 0 296.415 -0.536 20 0 CBADRP CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC(N)=O ZINC001419201679 906637668 /nfs/dbraw/zinc/63/76/68/906637668.db2.gz SRUGXVARPPNKBI-VXGBXAGGSA-N 2 0 282.388 -0.702 20 0 CBADRP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@@H]1CCNC1=O ZINC001419214547 906641580 /nfs/dbraw/zinc/64/15/80/906641580.db2.gz DEDBJGBULCUETR-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP Cn1nncc1C[NH2+][C@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001419286371 906655231 /nfs/dbraw/zinc/65/52/31/906655231.db2.gz XEFOBJMINXZJOT-CYBMUJFWSA-N 2 0 294.403 -0.249 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001419315272 906663510 /nfs/dbraw/zinc/66/35/10/906663510.db2.gz AKQKONQKDQFKOU-YPMHNXCESA-N 2 0 298.431 -0.055 20 0 CBADRP CC[C@@H](C(=O)N[C@@](C)(C[NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001419337405 906666832 /nfs/dbraw/zinc/66/68/32/906666832.db2.gz BLYJEEKTBXPLDQ-FZMZJTMJSA-N 2 0 284.404 -0.314 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001419414995 906683169 /nfs/dbraw/zinc/68/31/69/906683169.db2.gz XHNUSVMJLVKEHP-IJLUTSLNSA-N 2 0 282.388 -0.547 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001419422084 906683613 /nfs/dbraw/zinc/68/36/13/906683613.db2.gz DFWYHOSGSUKBLC-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1)C(N)=O ZINC001419433572 906685650 /nfs/dbraw/zinc/68/56/50/906685650.db2.gz FDVWLCBJJOPDON-JHJVBQTASA-N 2 0 296.415 -0.027 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001419434030 906686074 /nfs/dbraw/zinc/68/60/74/906686074.db2.gz BKRLBJLWKUQQHN-HAQNSBGRSA-N 2 0 294.403 -0.106 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001419490981 906704337 /nfs/dbraw/zinc/70/43/37/906704337.db2.gz JJROFXPLUNOACY-RWMBFGLXSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001419519681 906713202 /nfs/dbraw/zinc/71/32/02/906713202.db2.gz NQJURVKHCZESIU-RNJOBUHISA-N 2 0 296.415 -0.206 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001419700474 906773010 /nfs/dbraw/zinc/77/30/10/906773010.db2.gz AEOVNALRTXOWME-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1)C(N)=O ZINC001419625860 906742946 /nfs/dbraw/zinc/74/29/46/906742946.db2.gz QLOAWRDTACBODW-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)CCC[NH+](C)C ZINC001419693993 906770186 /nfs/dbraw/zinc/77/01/86/906770186.db2.gz AEFMLSOLEGPWNU-MNOVXSKESA-N 2 0 272.393 -0.362 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001419703625 906775142 /nfs/dbraw/zinc/77/51/42/906775142.db2.gz NQNRHEUCEVZLBC-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC(N)=O ZINC001419743345 906796912 /nfs/dbraw/zinc/79/69/12/906796912.db2.gz HHCLXOHRMKUITL-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001419782136 906814449 /nfs/dbraw/zinc/81/44/49/906814449.db2.gz XVKPSWILIFYUPG-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)NC1CC1 ZINC001419824085 906822541 /nfs/dbraw/zinc/82/25/41/906822541.db2.gz AVLVIDKMKZMKBP-LLVKDONJSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CCN1CCNC1=O ZINC001419845468 906830541 /nfs/dbraw/zinc/83/05/41/906830541.db2.gz VJSQTOUWROOBLT-LLVKDONJSA-N 2 0 285.392 -0.942 20 0 CBADRP CC[C@H]([NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001419843889 906832584 /nfs/dbraw/zinc/83/25/84/906832584.db2.gz UYFBDXJINIIUAT-QWRGUYRKSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@H]1CCc2ncnn21 ZINC001419843214 906832991 /nfs/dbraw/zinc/83/29/91/906832991.db2.gz SHSIWCWXEZZBAQ-VXGBXAGGSA-N 2 0 294.403 -0.189 20 0 CBADRP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001419902628 906850972 /nfs/dbraw/zinc/85/09/72/906850972.db2.gz ONHURLQBDFNSMP-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001419905246 906853758 /nfs/dbraw/zinc/85/37/58/906853758.db2.gz QUMWITBUHYYBRA-GHMZBOCLSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001419904781 906853882 /nfs/dbraw/zinc/85/38/82/906853882.db2.gz QIXKUZLEPKARTD-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001419917685 906859906 /nfs/dbraw/zinc/85/99/06/906859906.db2.gz GKUIXWBQMUVCPN-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001419987796 906883377 /nfs/dbraw/zinc/88/33/77/906883377.db2.gz GSJULWMCOXJECM-CHWSQXEVSA-N 2 0 287.404 -0.617 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419992850 906891600 /nfs/dbraw/zinc/89/16/00/906891600.db2.gz NKFXZRSAVXDDAZ-LBPRGKRZSA-N 2 0 296.415 -0.488 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001420005449 906893368 /nfs/dbraw/zinc/89/33/68/906893368.db2.gz GQCRRDVADIUDFP-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001420012671 906893550 /nfs/dbraw/zinc/89/35/50/906893550.db2.gz KXNFTSAIGZHRIJ-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001420016894 906899660 /nfs/dbraw/zinc/89/96/60/906899660.db2.gz IJQIJCLYZADNPX-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP Cn1nccc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001420119036 906952630 /nfs/dbraw/zinc/95/26/30/906952630.db2.gz ZKYRBNKNYHBIIP-OLZOCXBDSA-N 2 0 295.387 -0.919 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001420122472 906958728 /nfs/dbraw/zinc/95/87/28/906958728.db2.gz HNICUGZYFRQFJE-AGIUHOORSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]Cc1cncs1 ZINC001420150201 906971094 /nfs/dbraw/zinc/97/10/94/906971094.db2.gz UONRMQIPHRLKGR-SNVBAGLBSA-N 2 0 286.401 -0.339 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccn(C)n1)[NH+](C)C ZINC001420161708 906980929 /nfs/dbraw/zinc/98/09/29/906980929.db2.gz WJSZLMYNRYZCCB-QWHCGFSZSA-N 2 0 297.403 -0.673 20 0 CBADRP Cn1ccnc1C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001420194742 907005038 /nfs/dbraw/zinc/00/50/38/907005038.db2.gz WJVPNPSMEBSFMG-LBPRGKRZSA-N 2 0 295.387 -0.917 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001420226699 907028354 /nfs/dbraw/zinc/02/83/54/907028354.db2.gz GMSIOWFNODJPTM-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[N@H+](C)CC(=O)N(CC)CC[NH2+][C@@H]1CCNC1=O ZINC001420246114 907041471 /nfs/dbraw/zinc/04/14/71/907041471.db2.gz RJKPGEHPQUZXMV-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420247318 907045090 /nfs/dbraw/zinc/04/50/90/907045090.db2.gz DPHJQUZPMFWUPJ-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001420294032 907079359 /nfs/dbraw/zinc/07/93/59/907079359.db2.gz VREDCRNWFNNVAC-OUAUKWLOSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001420326117 907102910 /nfs/dbraw/zinc/10/29/10/907102910.db2.gz XFESPMYBEUFISX-MROQNXINSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCN(C)CC(N)=O ZINC001420349781 907115484 /nfs/dbraw/zinc/11/54/84/907115484.db2.gz LEFXZWXAVBQBDP-PHIMTYICSA-N 2 0 270.377 -0.608 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001420368155 907123670 /nfs/dbraw/zinc/12/36/70/907123670.db2.gz CANXBJZZFCCKLC-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1CCNC1=O ZINC001420438976 907159579 /nfs/dbraw/zinc/15/95/79/907159579.db2.gz XNAQBYJBMZWDCO-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP CCN(CC)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420509644 907188780 /nfs/dbraw/zinc/18/87/80/907188780.db2.gz DVOLZKQCBDFTFW-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C[NH+]1CCCC1 ZINC001420511395 907189820 /nfs/dbraw/zinc/18/98/20/907189820.db2.gz SRXHPZAUGBTRTJ-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)CC[NH+]1CCCCC1 ZINC001420521444 907191190 /nfs/dbraw/zinc/19/11/90/907191190.db2.gz ZZEVBCKPXXCCBW-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001420561664 907207239 /nfs/dbraw/zinc/20/72/39/907207239.db2.gz OFNBEHYZGVZJAE-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001420693606 907270662 /nfs/dbraw/zinc/27/06/62/907270662.db2.gz SUURMIXHQSAYMP-OLZOCXBDSA-N 2 0 296.415 -0.168 20 0 CBADRP NC(=O)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001420693611 907271278 /nfs/dbraw/zinc/27/12/78/907271278.db2.gz SUURMIXHQSAYMP-QWHCGFSZSA-N 2 0 296.415 -0.168 20 0 CBADRP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001420711474 907273338 /nfs/dbraw/zinc/27/33/38/907273338.db2.gz CRYMZRVGUKEBFW-NEPJUHHUSA-N 2 0 282.388 -0.641 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001420937957 907366049 /nfs/dbraw/zinc/36/60/49/907366049.db2.gz GKIBGBNJELZMEP-NWDGAFQWSA-N 2 0 284.404 -0.408 20 0 CBADRP COC[C@H](O)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001420996023 907386621 /nfs/dbraw/zinc/38/66/21/907386621.db2.gz SICBUZMRAARPLC-CHWSQXEVSA-N 2 0 299.415 -0.426 20 0 CBADRP CNC(=O)CN1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001421003540 907386684 /nfs/dbraw/zinc/38/66/84/907386684.db2.gz UBTLGLSVRAJDSD-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001421008451 907391226 /nfs/dbraw/zinc/39/12/26/907391226.db2.gz ZLHALEPHDBVTGU-GHMZBOCLSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CC[NH+](C)C ZINC001421097216 907425804 /nfs/dbraw/zinc/42/58/04/907425804.db2.gz AULSLDYFWCVUFO-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001421125689 907437796 /nfs/dbraw/zinc/43/77/96/907437796.db2.gz LJZFTDHPRSWRNN-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1)C(N)=O ZINC001421124901 907438399 /nfs/dbraw/zinc/43/83/99/907438399.db2.gz KBYYPHYUEPJBTA-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)[NH+](C)CC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001421383773 907516161 /nfs/dbraw/zinc/51/61/61/907516161.db2.gz CSIYGLRZSDPOKZ-TZMCWYRMSA-N 2 0 287.404 -0.740 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CC[NH+](CC3CC3)C2)C1 ZINC001421383980 907517035 /nfs/dbraw/zinc/51/70/35/907517035.db2.gz DIEMDDOPPRQIKZ-ZFWWWQNUSA-N 2 0 281.400 -0.099 20 0 CBADRP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC(N)=O ZINC001421421360 907537330 /nfs/dbraw/zinc/53/73/30/907537330.db2.gz NQGJKXUUHPHUJA-NEPJUHHUSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001421448810 907551522 /nfs/dbraw/zinc/55/15/22/907551522.db2.gz HVTDYXOBHSCCEC-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@@H](C)C(=O)NC ZINC001421503459 907568963 /nfs/dbraw/zinc/56/89/63/907568963.db2.gz UFBXMCLWYWHJAI-RYUDHWBXSA-N 2 0 286.420 -0.055 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001421531712 907577469 /nfs/dbraw/zinc/57/74/69/907577469.db2.gz XKTYJLOBQWOIJK-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001421559519 907579062 /nfs/dbraw/zinc/57/90/62/907579062.db2.gz KRIXJJNTZFWDKM-NHYWBVRUSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001421571160 907580777 /nfs/dbraw/zinc/58/07/77/907580777.db2.gz CVFDDEMUYYJSQC-BETUJISGSA-N 2 0 296.415 -0.537 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1 ZINC001421574548 907585415 /nfs/dbraw/zinc/58/54/15/907585415.db2.gz PZHGCQZPWDFGLM-TXEJJXNPSA-N 2 0 282.388 -0.798 20 0 CBADRP CNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001421631842 907593716 /nfs/dbraw/zinc/59/37/16/907593716.db2.gz BANVVEQXGJVYCA-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1cnnn1C ZINC001421673291 907608662 /nfs/dbraw/zinc/60/86/62/907608662.db2.gz GQDOWGFIZDMAGL-YPMHNXCESA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001421798598 907648302 /nfs/dbraw/zinc/64/83/02/907648302.db2.gz DYRGIFHBORXDBO-STQMWFEESA-N 2 0 299.415 -0.474 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001421847920 907656442 /nfs/dbraw/zinc/65/64/42/907656442.db2.gz SUINRGKJWMJCJN-LBPRGKRZSA-N 2 0 296.415 -0.025 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001421915168 907678921 /nfs/dbraw/zinc/67/89/21/907678921.db2.gz VWICLBLZWACQQH-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001421947620 907685821 /nfs/dbraw/zinc/68/58/21/907685821.db2.gz VFSSHAANCIEVRB-MNOVXSKESA-N 2 0 270.377 -0.750 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001421947624 907685874 /nfs/dbraw/zinc/68/58/74/907685874.db2.gz VFSSHAANCIEVRB-QWRGUYRKSA-N 2 0 270.377 -0.750 20 0 CBADRP C[N@H+](CC(=O)N1CCC[C@](CO)([NH2+]CCO)C1)C1CCC1 ZINC001421974449 907694016 /nfs/dbraw/zinc/69/40/16/907694016.db2.gz STUASSAPPXMSRW-HNNXBMFYSA-N 2 0 299.415 -0.594 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001421985213 907698336 /nfs/dbraw/zinc/69/83/36/907698336.db2.gz DYIRPZGKMVJWIA-MNOVXSKESA-N 2 0 270.377 -0.750 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001421992767 907698540 /nfs/dbraw/zinc/69/85/40/907698540.db2.gz PRUFCXUCQJOOBD-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001421996820 907699824 /nfs/dbraw/zinc/69/98/24/907699824.db2.gz XESDDAMMNAXMIG-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(N)=O ZINC001422111506 907720154 /nfs/dbraw/zinc/72/01/54/907720154.db2.gz XOSXMDZWSCYPMH-NEPJUHHUSA-N 2 0 284.404 -0.456 20 0 CBADRP CNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001422254917 907761336 /nfs/dbraw/zinc/76/13/36/907761336.db2.gz IJIWHOQBSWGWOT-MCIGGMRASA-N 2 0 282.388 -0.689 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001422390310 907840052 /nfs/dbraw/zinc/84/00/52/907840052.db2.gz QYIWUZNDRGELRG-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C ZINC001422415845 907848838 /nfs/dbraw/zinc/84/88/38/907848838.db2.gz CQBUQXHXVBMQTO-QWRGUYRKSA-N 2 0 272.393 -0.443 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)NC ZINC001422419942 907849302 /nfs/dbraw/zinc/84/93/02/907849302.db2.gz OSBOAIBZHJACPO-WDEREUQCSA-N 2 0 272.393 -0.443 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)CC[NH2+][C@@H]1CCNC1=O ZINC001422436821 907856196 /nfs/dbraw/zinc/85/61/96/907856196.db2.gz KEUSATFENWAUOO-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001422503905 907897141 /nfs/dbraw/zinc/89/71/41/907897141.db2.gz DEVZRRQAFUHEAV-NXEZZACHSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(=O)NC1CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001422536510 907915015 /nfs/dbraw/zinc/91/50/15/907915015.db2.gz UPQLFUJWIWRAQN-NQBHXWOUSA-N 2 0 296.415 -0.158 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@H]1CCN(C)C1=O ZINC001422557077 907928003 /nfs/dbraw/zinc/92/80/03/907928003.db2.gz AFKIJKYFLGEDGX-NEPJUHHUSA-N 2 0 284.404 -0.395 20 0 CBADRP CCN1CC[C@@H]([N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001422574743 907932169 /nfs/dbraw/zinc/93/21/69/907932169.db2.gz ZKPDWCLRPUAJDA-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@H]([NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)C(N)=O ZINC001422617395 907944588 /nfs/dbraw/zinc/94/45/88/907944588.db2.gz KABDDUUQZLDKBH-MNOVXSKESA-N 2 0 272.393 -0.315 20 0 CBADRP CC(C)CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001422616481 907944830 /nfs/dbraw/zinc/94/48/30/907944830.db2.gz OVGGQJSAIZZPCN-OLZOCXBDSA-N 2 0 298.431 -0.195 20 0 CBADRP CCn1nncc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001422635022 907959189 /nfs/dbraw/zinc/95/91/89/907959189.db2.gz ZVBXLLAVQZGODW-AAEUAGOBSA-N 2 0 294.403 -0.014 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001422675229 907971208 /nfs/dbraw/zinc/97/12/08/907971208.db2.gz RCVKHOYDSHSKPI-TUAOUCFPSA-N 2 0 286.420 -0.199 20 0 CBADRP C[C@@H](C[NH2+]C[C@H]1CCc2ncnn21)NC(=O)CC[NH+](C)C ZINC001422697140 907976801 /nfs/dbraw/zinc/97/68/01/907976801.db2.gz RQKPCKHDQFCLLA-NWDGAFQWSA-N 2 0 294.403 -0.189 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001422694679 907977297 /nfs/dbraw/zinc/97/72/97/907977297.db2.gz BZQMGENUGSHMQY-TUAOUCFPSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001422827435 908025909 /nfs/dbraw/zinc/02/59/09/908025909.db2.gz IKOQFOMKNAXBAS-LPWJVIDDSA-N 2 0 294.399 -0.750 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)CCC1 ZINC001422829441 908029731 /nfs/dbraw/zinc/02/97/31/908029731.db2.gz HWFOQXSVQLHXRW-XYYAHUGASA-N 2 0 281.400 -0.243 20 0 CBADRP CCNC(=O)CN(C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001422866561 908038557 /nfs/dbraw/zinc/03/85/57/908038557.db2.gz IZFLKHUUAMUODU-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](C[N@H+](C)[C@H]1CCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001422889661 908049890 /nfs/dbraw/zinc/04/98/90/908049890.db2.gz VJJWAPNLYDFYTE-NEPJUHHUSA-N 2 0 284.404 -0.395 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001423039959 908081753 /nfs/dbraw/zinc/08/17/53/908081753.db2.gz GXJWDXCSKRTQHL-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001423125542 908114348 /nfs/dbraw/zinc/11/43/48/908114348.db2.gz GGGDXDHKIADUFU-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001423167503 908124599 /nfs/dbraw/zinc/12/45/99/908124599.db2.gz NIBDOZKTEAZAQR-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001423171891 908124957 /nfs/dbraw/zinc/12/49/57/908124957.db2.gz VKPBCOCDXANVJT-NWDGAFQWSA-N 2 0 294.403 -0.297 20 0 CBADRP CO[C@H](C)C[NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001423225109 908168127 /nfs/dbraw/zinc/16/81/27/908168127.db2.gz DSFOXQSXSKKEHW-OLZOCXBDSA-N 2 0 299.415 -0.284 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001423271207 908184754 /nfs/dbraw/zinc/18/47/54/908184754.db2.gz DYBVEJJMIDPGAA-LLVKDONJSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC(=O)N(C)C)CC1 ZINC001423287774 908191440 /nfs/dbraw/zinc/19/14/40/908191440.db2.gz FAZITZVDYNNFAZ-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]Cc1cncs1 ZINC001423309202 908199168 /nfs/dbraw/zinc/19/91/68/908199168.db2.gz TVBMWGHHAIVYGT-NSHDSACASA-N 2 0 298.412 -0.194 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001423325125 908201495 /nfs/dbraw/zinc/20/14/95/908201495.db2.gz MGFAVQICFCXGGU-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001423325119 908202591 /nfs/dbraw/zinc/20/25/91/908202591.db2.gz MGFAVQICFCXGGU-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001423339452 908205987 /nfs/dbraw/zinc/20/59/87/908205987.db2.gz IFUCTWSTPUDXPO-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001423332070 908206698 /nfs/dbraw/zinc/20/66/98/908206698.db2.gz VKOACPGFGAKGGJ-GHMZBOCLSA-N 2 0 270.377 -0.737 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)N(C)C ZINC001423481722 908250775 /nfs/dbraw/zinc/25/07/75/908250775.db2.gz MFQXVQDJTSMDHI-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001423532212 908275441 /nfs/dbraw/zinc/27/54/41/908275441.db2.gz JHZLMQNWAVFXMM-CYBMUJFWSA-N 2 0 299.415 -0.520 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001423592100 908289395 /nfs/dbraw/zinc/28/93/95/908289395.db2.gz JICLSXRFLGFEKR-UKRRQHHQSA-N 2 0 299.415 -0.330 20 0 CBADRP COCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@@H](C)O ZINC001423641218 908299764 /nfs/dbraw/zinc/29/97/64/908299764.db2.gz LAWQJEKCFMELJD-OLZOCXBDSA-N 2 0 287.404 -0.617 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@H](C)C(N)=O)C[C@@H]2C1 ZINC001423997520 908379777 /nfs/dbraw/zinc/37/97/77/908379777.db2.gz MLVLLARYUFLWCL-UPJWGTAASA-N 2 0 296.415 -0.409 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@]2(CO)CCC[N@H+](CCO)C2)CC1 ZINC001424011091 908388520 /nfs/dbraw/zinc/38/85/20/908388520.db2.gz RASVAJSOBBQURH-OAHLLOKOSA-N 2 0 299.415 -0.736 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]CC(N)=O)CCC2)C1 ZINC001424213548 908423856 /nfs/dbraw/zinc/42/38/56/908423856.db2.gz MUODSQFWJGRAQZ-LLVKDONJSA-N 2 0 282.388 -0.558 20 0 CBADRP CCN1CCO[C@H](C(=O)NCC2([NH2+]CCO)CCC2)C1 ZINC001424214397 908424234 /nfs/dbraw/zinc/42/42/34/908424234.db2.gz IPLMJDJNPJPGGX-LBPRGKRZSA-N 2 0 285.388 -0.672 20 0 CBADRP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001424231323 908431226 /nfs/dbraw/zinc/43/12/26/908431226.db2.gz QUSCGVDIJXAUKR-NWDGAFQWSA-N 2 0 273.377 -0.864 20 0 CBADRP CN(CCC[N@H+](C)CC(N)=O)C(=O)[C@H]1CCC[NH+]1C ZINC001424309118 908442019 /nfs/dbraw/zinc/44/20/19/908442019.db2.gz NDBMJTCHEYCSPJ-LLVKDONJSA-N 2 0 270.377 -0.654 20 0 CBADRP CC(C)[C@H](C(=O)N(C)CCC[N@H+](C)CC(N)=O)[NH+](C)C ZINC001424306521 908442109 /nfs/dbraw/zinc/44/21/09/908442109.db2.gz NBAJQMWUWGFLHS-CYBMUJFWSA-N 2 0 286.420 -0.162 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001424492014 908463659 /nfs/dbraw/zinc/46/36/59/908463659.db2.gz UMHIVWDNADBXQP-STQMWFEESA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001424615137 908479553 /nfs/dbraw/zinc/47/95/53/908479553.db2.gz HDTHTJLWARXTKV-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cn(C)nn1 ZINC001424612268 908480169 /nfs/dbraw/zinc/48/01/69/908480169.db2.gz OTRIPRXXHUTRSI-LBPRGKRZSA-N 2 0 294.403 -0.105 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001424793198 908507566 /nfs/dbraw/zinc/50/75/66/908507566.db2.gz SLVOERWMPVKCGI-RYUDHWBXSA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001424793202 908508026 /nfs/dbraw/zinc/50/80/26/908508026.db2.gz SLVOERWMPVKCGI-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001424839537 908517690 /nfs/dbraw/zinc/51/76/90/908517690.db2.gz JJDQRTVEIJNTHE-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[NH+]1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001505387897 921418063 /nfs/dbraw/zinc/41/80/63/921418063.db2.gz YGWOWKMNHUXBLC-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP COC[C@H](O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001425246342 908590377 /nfs/dbraw/zinc/59/03/77/908590377.db2.gz UZARUBVOLWZEBD-MRVWCRGKSA-N 2 0 299.415 -0.476 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001425412670 908639905 /nfs/dbraw/zinc/63/99/05/908639905.db2.gz AFHSNOFGPPGBIZ-AVGNSLFASA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(N)=O ZINC001425465470 908652521 /nfs/dbraw/zinc/65/25/21/908652521.db2.gz KUDRFRFRCXUMEC-GFCCVEGCSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+][C@H]1CCNC1=O ZINC001425573469 908676615 /nfs/dbraw/zinc/67/66/15/908676615.db2.gz HBIYWXFVCDQLTH-YPMHNXCESA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@H](C)C(=O)N(C)C ZINC001425683504 908688848 /nfs/dbraw/zinc/68/88/48/908688848.db2.gz OEPXLXHVUKXGMW-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@H]([NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001425686125 908689561 /nfs/dbraw/zinc/68/95/61/908689561.db2.gz UZITZNKNLJVUOI-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001425678038 908689630 /nfs/dbraw/zinc/68/96/30/908689630.db2.gz CWJCBGMSHVHZTI-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001425820921 908750221 /nfs/dbraw/zinc/75/02/21/908750221.db2.gz KAOIHSWMRBGXLD-OLZOCXBDSA-N 2 0 287.404 -0.834 20 0 CBADRP CC1CC[NH+](CC(=O)NC2CC(C[NH2+]CC(N)=O)C2)CC1 ZINC001505525701 921435927 /nfs/dbraw/zinc/43/59/27/921435927.db2.gz CYRKYPWWUCGVHR-UHFFFAOYSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CCC[NH+](C)C ZINC001425886717 908776548 /nfs/dbraw/zinc/77/65/48/908776548.db2.gz UTFJBXYLTLLASL-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001425940476 908783776 /nfs/dbraw/zinc/78/37/76/908783776.db2.gz AWCCHQXXWZNOKB-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001425940469 908784053 /nfs/dbraw/zinc/78/40/53/908784053.db2.gz AWCCHQXXWZNOKB-GHMZBOCLSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H]1CN(CCO)CCN1C(=O)NC1CC[NH+](C)CC1 ZINC001426474207 908872101 /nfs/dbraw/zinc/87/21/01/908872101.db2.gz MDENRMDOUHKLNK-LBPRGKRZSA-N 2 0 284.404 -0.211 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001505678618 921463724 /nfs/dbraw/zinc/46/37/24/921463724.db2.gz PEZUYARUBZBOBN-ZJUUUORDSA-N 2 0 258.366 -0.704 20 0 CBADRP CN(CCNC(=O)C1CC[NH+](C)CC1)C(=O)CC[NH+](C)C ZINC001429339624 909228505 /nfs/dbraw/zinc/22/85/05/909228505.db2.gz NMSUYVCFPRZPCF-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP CC[C@H](C(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001429382191 909235633 /nfs/dbraw/zinc/23/56/33/909235633.db2.gz GHMZWRRSHDORQN-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001505845121 921485180 /nfs/dbraw/zinc/48/51/80/921485180.db2.gz ABMUMAFPRYINOU-GFCCVEGCSA-N 2 0 298.431 -0.112 20 0 CBADRP CN(CCNC(=O)C[NH+]1CCCC1)C(=O)CCC[NH+](C)C ZINC001431256450 909442695 /nfs/dbraw/zinc/44/26/95/909442695.db2.gz DFDZTXGVOYKIAX-UHFFFAOYSA-N 2 0 298.431 -0.001 20 0 CBADRP CN(CCNC(=O)CC[NH+](C)C)C(=O)C[NH+]1CCCC1 ZINC001431491160 909480752 /nfs/dbraw/zinc/48/07/52/909480752.db2.gz LNOKPENBDUUUCL-UHFFFAOYSA-N 2 0 284.404 -0.392 20 0 CBADRP CN(CCNC(=O)CC[NH+](C)C)C(=O)CC[NH+](C)C ZINC001431489048 909481029 /nfs/dbraw/zinc/48/10/29/909481029.db2.gz IBHMJHGNUSUSSN-UHFFFAOYSA-N 2 0 272.393 -0.536 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001432244075 909597551 /nfs/dbraw/zinc/59/75/51/909597551.db2.gz PTPUXFPPFYXFFA-DGCLKSJQSA-N 2 0 296.415 -0.395 20 0 CBADRP Nc1nc(N2CCC([NH2+]C3CCOCC3)CC2)nc(N)[nH+]1 ZINC001434450720 910191406 /nfs/dbraw/zinc/19/14/06/910191406.db2.gz VEFVADUGWCIXEZ-UHFFFAOYSA-N 2 0 293.375 -0.227 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001436419011 910442746 /nfs/dbraw/zinc/44/27/46/910442746.db2.gz YISZXRSRKRVFHM-RWMBFGLXSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001436827781 910493742 /nfs/dbraw/zinc/49/37/42/910493742.db2.gz NRIHXICEQFXFPU-LBPRGKRZSA-N 2 0 294.399 -0.687 20 0 CBADRP C[NH+]1CCC(OCC(=O)NC[C@@H]([NH2+]CCO)C2CC2)CC1 ZINC001436824762 910494629 /nfs/dbraw/zinc/49/46/29/910494629.db2.gz MQVJHNLXIGAIMW-CQSZACIVSA-N 2 0 299.415 -0.426 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001436925883 910508299 /nfs/dbraw/zinc/50/82/99/910508299.db2.gz JWKNVBVJLZHRGK-AVGNSLFASA-N 2 0 296.415 -0.347 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001436977262 910523411 /nfs/dbraw/zinc/52/34/11/910523411.db2.gz KBIFQOFHJUZOAA-TXEJJXNPSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCN1CCNC1=O ZINC001437191620 910579202 /nfs/dbraw/zinc/57/92/02/910579202.db2.gz XJAKUPKUYOSPBB-NWDGAFQWSA-N 2 0 297.403 -0.800 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CCn1cncn1 ZINC001437194014 910582429 /nfs/dbraw/zinc/58/24/29/910582429.db2.gz BYDMCXOSWBMAPM-GFCCVEGCSA-N 2 0 294.403 -0.286 20 0 CBADRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@@H](C)C(N)=O ZINC001437213899 910586549 /nfs/dbraw/zinc/58/65/49/910586549.db2.gz JXSLNRHLTVHNSG-MNOVXSKESA-N 2 0 284.404 -0.314 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001437218330 910589797 /nfs/dbraw/zinc/58/97/97/910589797.db2.gz ZOVYOJLXMAEKPS-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]CCO ZINC001437240441 910596995 /nfs/dbraw/zinc/59/69/95/910596995.db2.gz VUJLBESOUUYYOG-LLVKDONJSA-N 2 0 273.377 -0.816 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccnn1C ZINC001437258404 910600779 /nfs/dbraw/zinc/60/07/79/910600779.db2.gz HHGCCHIVJQWGHF-NEPJUHHUSA-N 2 0 279.388 -0.034 20 0 CBADRP C[C@H](CCNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@H](C)C(N)=O ZINC001437396338 910625348 /nfs/dbraw/zinc/62/53/48/910625348.db2.gz HFASFTYUETZQJC-GHMZBOCLSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCCNC1=O ZINC001437420371 910629638 /nfs/dbraw/zinc/62/96/38/910629638.db2.gz BOIWKOIUXKJHAG-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001437421444 910631179 /nfs/dbraw/zinc/63/11/79/910631179.db2.gz IWQJHUWVQGEHRU-VXGBXAGGSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nncn1C ZINC001437422082 910631730 /nfs/dbraw/zinc/63/17/30/910631730.db2.gz LMWSBAPKZNPUQD-NEPJUHHUSA-N 2 0 294.403 -0.249 20 0 CBADRP C[NH+](CC(=O)N1CC[C@H](C[N@@H+](C)CC(N)=O)C1)C1CCC1 ZINC001437976875 910781653 /nfs/dbraw/zinc/78/16/53/910781653.db2.gz NAMINDLSWDRIFB-GFCCVEGCSA-N 2 0 296.415 -0.264 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001437952040 910786003 /nfs/dbraw/zinc/78/60/03/910786003.db2.gz YYWZOIYQJDZDMF-CHWSQXEVSA-N 2 0 296.415 -0.488 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC001437983773 910786255 /nfs/dbraw/zinc/78/62/55/910786255.db2.gz ANTJUYSGVRBHKA-LBPRGKRZSA-N 2 0 284.404 -0.406 20 0 CBADRP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001438245277 910850666 /nfs/dbraw/zinc/85/06/66/910850666.db2.gz UPNONHLKJIQWCA-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001438245273 910853149 /nfs/dbraw/zinc/85/31/49/910853149.db2.gz UPNONHLKJIQWCA-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@H](C)C(N)=O ZINC001438345890 910884048 /nfs/dbraw/zinc/88/40/48/910884048.db2.gz MKARVVXXBKPTMG-GHMZBOCLSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]CC(N)=O ZINC001438494033 910905926 /nfs/dbraw/zinc/90/59/26/910905926.db2.gz RBUZRIAWADGLBD-ZYHUDNBSSA-N 2 0 282.388 -0.845 20 0 CBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+][C@@H](C)C(N)=O ZINC001438519996 910912648 /nfs/dbraw/zinc/91/26/48/910912648.db2.gz LLQBKPXFQOSERK-MNOVXSKESA-N 2 0 284.404 -0.456 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001438650588 910945352 /nfs/dbraw/zinc/94/53/52/910945352.db2.gz ZYRSWDFFQXKLNF-CMPLNLGQSA-N 2 0 282.388 -0.750 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001438718511 910962646 /nfs/dbraw/zinc/96/26/46/910962646.db2.gz YHVVGDIHMOHSHC-NEPJUHHUSA-N 2 0 286.420 -0.102 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001438718513 910964493 /nfs/dbraw/zinc/96/44/93/910964493.db2.gz YHVVGDIHMOHSHC-NWDGAFQWSA-N 2 0 286.420 -0.102 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001438718517 910964737 /nfs/dbraw/zinc/96/47/37/910964737.db2.gz YHVVGDIHMOHSHC-RYUDHWBXSA-N 2 0 286.420 -0.102 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001439017462 911056089 /nfs/dbraw/zinc/05/60/89/911056089.db2.gz GBRJYNVOXSVMHV-RYUDHWBXSA-N 2 0 289.420 -0.588 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]Cc1cnns1 ZINC001439055139 911079854 /nfs/dbraw/zinc/07/98/54/911079854.db2.gz LHINDDWPPZMNKW-SNVBAGLBSA-N 2 0 299.400 -0.799 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(=O)N(C)C)C(=O)C[NH+]1CCCC1 ZINC001439085942 911093379 /nfs/dbraw/zinc/09/33/79/911093379.db2.gz SEAMMQOIIIGJJP-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001506885053 921632948 /nfs/dbraw/zinc/63/29/48/921632948.db2.gz JFDQVKBIFKIUPB-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001439152332 911118345 /nfs/dbraw/zinc/11/83/45/911118345.db2.gz HWVDFQQKUYJVNP-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)C[NH+]1CCCC1 ZINC001439179258 911128328 /nfs/dbraw/zinc/12/83/28/911128328.db2.gz KZAHSJLGLPNRLJ-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001439220125 911144491 /nfs/dbraw/zinc/14/44/91/911144491.db2.gz GGAAAMLQIXVMBT-AAEUAGOBSA-N 2 0 296.415 -0.204 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001439244052 911153352 /nfs/dbraw/zinc/15/33/52/911153352.db2.gz QRNKTDMSQMOQHL-AVGNSLFASA-N 2 0 298.431 -0.053 20 0 CBADRP Cc1nc[nH]c1CC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001506903472 921638609 /nfs/dbraw/zinc/63/86/09/921638609.db2.gz UYBPLYXAZHBIEH-MGCOHNPYSA-N 2 0 279.344 -0.770 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001506901723 921640356 /nfs/dbraw/zinc/64/03/56/921640356.db2.gz GZFQRIUPRJPLLK-AVGNSLFASA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H](C[N@H+](C)CCO)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001439329077 911181705 /nfs/dbraw/zinc/18/17/05/911181705.db2.gz SIMPVOBSSRWUDR-LBPRGKRZSA-N 2 0 297.403 -0.513 20 0 CBADRP CC1CC[NH+](CC(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)CC1 ZINC001439484662 911218857 /nfs/dbraw/zinc/21/88/57/911218857.db2.gz JNSAXRWKZWNJHB-ZDUSSCGKSA-N 2 0 296.415 -0.312 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001439638612 911264490 /nfs/dbraw/zinc/26/44/90/911264490.db2.gz XVRXLHLBSHYGIJ-GHMZBOCLSA-N 2 0 280.372 -0.793 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CC1)C(N)=O ZINC001439674433 911269471 /nfs/dbraw/zinc/26/94/71/911269471.db2.gz FMSOTJDWLWDTIF-GFCCVEGCSA-N 2 0 296.415 -0.025 20 0 CBADRP C[C@H](C(N)=O)[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001439804269 911293165 /nfs/dbraw/zinc/29/31/65/911293165.db2.gz LYQGKRLUJFJADP-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP C[N@H+](CC(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001439889411 911304464 /nfs/dbraw/zinc/30/44/64/911304464.db2.gz LPCRNCXLXJPSMO-HNNXBMFYSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+]1CCC(C(=O)N2CC[C@@](C)(C[NH2+]CC(N)=O)C2)CC1 ZINC001439885499 911304524 /nfs/dbraw/zinc/30/45/24/911304524.db2.gz NZSAQQGYVGBHAA-HNNXBMFYSA-N 2 0 296.415 -0.358 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001439905155 911312834 /nfs/dbraw/zinc/31/28/34/911312834.db2.gz WWGKDYLJCWZMGU-BXUZGUMPSA-N 2 0 282.388 -0.606 20 0 CBADRP CC1(CNC(=O)C[NH+]2CCCC2)CC[NH+](CC(N)=O)CC1 ZINC001439917703 911314189 /nfs/dbraw/zinc/31/41/89/911314189.db2.gz QLERBEAFANXEHF-UHFFFAOYSA-N 2 0 296.415 -0.214 20 0 CBADRP COCC[N@@H+]1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001439991646 911330546 /nfs/dbraw/zinc/33/05/46/911330546.db2.gz QULLJQVZJVOYJV-CQSZACIVSA-N 2 0 299.415 -0.330 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001440307439 911424565 /nfs/dbraw/zinc/42/45/65/911424565.db2.gz QLKAHBKOODVYAI-BJHJDKERSA-N 2 0 296.415 -0.441 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001440350267 911434055 /nfs/dbraw/zinc/43/40/55/911434055.db2.gz PEABLVKMFZDREP-AVGNSLFASA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)CCC(=O)N1CCO[C@@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC001440372505 911439518 /nfs/dbraw/zinc/43/95/18/911439518.db2.gz HLFZVFRZFIIACS-KBPBESRZSA-N 2 0 299.415 -0.208 20 0 CBADRP CO[C@@H](C)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001440374764 911439774 /nfs/dbraw/zinc/43/97/74/911439774.db2.gz JAKSXUVJSXTBKH-STQMWFEESA-N 2 0 287.404 -0.210 20 0 CBADRP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001440374920 911441204 /nfs/dbraw/zinc/44/12/04/911441204.db2.gz LBGIJHHLJQGUML-GXTWGEPZSA-N 2 0 299.415 -0.332 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001440408004 911447663 /nfs/dbraw/zinc/44/76/63/911447663.db2.gz SNIGVGRPDXRRJG-YNEHKIRRSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001440466594 911457946 /nfs/dbraw/zinc/45/79/46/911457946.db2.gz DHDQKPAZRHWZGZ-LBPRGKRZSA-N 2 0 296.415 -0.264 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001440586717 911474466 /nfs/dbraw/zinc/47/44/66/911474466.db2.gz FUOXQLPTXYRMKL-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H](O)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001440578974 911475668 /nfs/dbraw/zinc/47/56/68/911475668.db2.gz XOMOCODSBFVSGR-QWHCGFSZSA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001440842514 911529483 /nfs/dbraw/zinc/52/94/83/911529483.db2.gz SAYIHMPXWVMGQT-QWRGUYRKSA-N 2 0 272.393 -0.491 20 0 CBADRP C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCO ZINC001507073012 921669150 /nfs/dbraw/zinc/66/91/50/921669150.db2.gz KMBNXSJVDKCNCV-YPMHNXCESA-N 2 0 269.389 -0.243 20 0 CBADRP COC[C@@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001441283482 911639184 /nfs/dbraw/zinc/63/91/84/911639184.db2.gz OUIWMPVZMAMOBI-XDQVBPFNSA-N 2 0 299.415 -0.761 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001441349000 911647202 /nfs/dbraw/zinc/64/72/02/911647202.db2.gz WGZCOGYLBAGAOY-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001441350239 911648453 /nfs/dbraw/zinc/64/84/53/911648453.db2.gz FCQYNFQISXKTPF-HAQNSBGRSA-N 2 0 296.415 -0.299 20 0 CBADRP Cn1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)nn1 ZINC001441368783 911651958 /nfs/dbraw/zinc/65/19/58/911651958.db2.gz KTRQZYKKRWFFMN-HAQNSBGRSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+][C@H]1CCNC1=O ZINC001507116424 921680651 /nfs/dbraw/zinc/68/06/51/921680651.db2.gz FULVCIIFIOMGAW-RYUDHWBXSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001441399055 911661274 /nfs/dbraw/zinc/66/12/74/911661274.db2.gz KCAUOHMQRNHWFD-HAQNSBGRSA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001441435419 911668641 /nfs/dbraw/zinc/66/86/41/911668641.db2.gz GWHMUWYFLILHIH-BJDJZHNGSA-N 2 0 282.388 -0.691 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001441435428 911669054 /nfs/dbraw/zinc/66/90/54/911669054.db2.gz GWHMUWYFLILHIH-USZNOCQGSA-N 2 0 282.388 -0.691 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001441533898 911697876 /nfs/dbraw/zinc/69/78/76/911697876.db2.gz ZQUVMHZUEWQULK-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@H]1CCNC1=O ZINC001441593295 911713104 /nfs/dbraw/zinc/71/31/04/911713104.db2.gz NFPNVBFFERSFLN-QWRGUYRKSA-N 2 0 270.377 -0.737 20 0 CBADRP CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O)[NH+](C)C ZINC001441625265 911720929 /nfs/dbraw/zinc/72/09/29/911720929.db2.gz XAWGRDSIBVBWFM-ZYHUDNBSSA-N 2 0 272.393 -0.506 20 0 CBADRP C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001441657965 911726832 /nfs/dbraw/zinc/72/68/32/911726832.db2.gz YOWBYRQADMFNJC-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001507146269 921688024 /nfs/dbraw/zinc/68/80/24/921688024.db2.gz BXNFIVAYMVGAPA-NSHDSACASA-N 2 0 282.388 -0.735 20 0 CBADRP C[N@H+](CC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCOC1)C1CCC1 ZINC001441716808 911762411 /nfs/dbraw/zinc/76/24/11/911762411.db2.gz SYBFUPHDFNLJMC-QWHCGFSZSA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H]1CCNC1=O ZINC001507150552 921691184 /nfs/dbraw/zinc/69/11/84/921691184.db2.gz YOSSUSHKZQMFKZ-VXGBXAGGSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+][C@H]1CCNC1=O ZINC001507150549 921692186 /nfs/dbraw/zinc/69/21/86/921692186.db2.gz YOSSUSHKZQMFKZ-NEPJUHHUSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCO ZINC001507154455 921692947 /nfs/dbraw/zinc/69/29/47/921692947.db2.gz NUDGEGIVWSRWEJ-RYUDHWBXSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](CO)[NH2+]CC1CC1 ZINC001441795659 911813395 /nfs/dbraw/zinc/81/33/95/911813395.db2.gz OPOYGQYZPHUTKI-JSGCOSHPSA-N 2 0 299.415 -0.569 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)NC)C[C@@H]1C ZINC001441857744 911835834 /nfs/dbraw/zinc/83/58/34/911835834.db2.gz GNJLPVYEQMBXSV-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001441877599 911843529 /nfs/dbraw/zinc/84/35/29/911843529.db2.gz VJYYPKWXVVFXSO-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001441928117 911855987 /nfs/dbraw/zinc/85/59/87/911855987.db2.gz AHHDXRGGKULYPH-SNVBAGLBSA-N 2 0 270.377 -0.832 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001441935381 911857950 /nfs/dbraw/zinc/85/79/50/911857950.db2.gz JVUFPHUGGTXOEJ-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001442011450 911895762 /nfs/dbraw/zinc/89/57/62/911895762.db2.gz QEBVVQPUPAYIFK-PWSUYJOCSA-N 2 0 282.392 -0.250 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CCn1cncn1 ZINC001442066698 911915599 /nfs/dbraw/zinc/91/55/99/911915599.db2.gz OCTOGSWBKSMWIH-LBPRGKRZSA-N 2 0 282.392 -0.287 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001442150467 911938941 /nfs/dbraw/zinc/93/89/41/911938941.db2.gz SHGJXAHVMGCBDM-XQQFMLRXSA-N 2 0 296.415 -0.360 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001442165981 911942001 /nfs/dbraw/zinc/94/20/01/911942001.db2.gz BBLJATQQXZOOSX-CYBMUJFWSA-N 2 0 296.415 -0.344 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)C1CC([NH2+]CCO)C1 ZINC001442245692 911957305 /nfs/dbraw/zinc/95/73/05/911957305.db2.gz AZQOPUVZBSZGEF-IYXRBSQSSA-N 2 0 299.415 -0.474 20 0 CBADRP CN(C(=O)CCC[NH+](C)C)C1CC([NH2+]CC(N)=O)C1 ZINC001442255113 911961051 /nfs/dbraw/zinc/96/10/51/911961051.db2.gz RRRCXUNSISYCTK-UHFFFAOYSA-N 2 0 270.377 -0.608 20 0 CBADRP CN(CCNC(=O)CCC[NH+]1CCCC1)CC(=O)N(C)C ZINC001442602605 912062810 /nfs/dbraw/zinc/06/28/10/912062810.db2.gz NOTFHLOKVRFWQV-UHFFFAOYSA-N 2 0 298.431 -0.001 20 0 CBADRP CN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001443073882 912148934 /nfs/dbraw/zinc/14/89/34/912148934.db2.gz AWYLFWZOFNCOHP-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001443090027 912150335 /nfs/dbraw/zinc/15/03/35/912150335.db2.gz IOIPROSBISUOCF-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001443099107 912156469 /nfs/dbraw/zinc/15/64/69/912156469.db2.gz KPMMNLJPYSASNN-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001443099101 912158069 /nfs/dbraw/zinc/15/80/69/912158069.db2.gz KPMMNLJPYSASNN-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP O=C(NC[C@H](CO)[NH2+]CCF)C12CCC[NH+]1CCC2 ZINC001507214425 921749773 /nfs/dbraw/zinc/74/97/73/921749773.db2.gz MTZYGZSGBNSPFJ-LLVKDONJSA-N 2 0 273.352 -0.349 20 0 CBADRP COCC[NH2+][C@@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001507224221 921757239 /nfs/dbraw/zinc/75/72/39/921757239.db2.gz GHFYJWYQRGVMGI-GFCCVEGCSA-N 2 0 287.404 -0.426 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC001468765762 915328106 /nfs/dbraw/zinc/32/81/06/915328106.db2.gz JQFDWEVWDFTGMI-ZIAGYGMSSA-N 2 0 297.447 -0.032 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]C[C@@H]1CCCCO1 ZINC001507259192 921787214 /nfs/dbraw/zinc/78/72/14/921787214.db2.gz CSQIKFHBYFIFEP-KGLIPLIRSA-N 2 0 299.415 -0.282 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC001472626946 915755852 /nfs/dbraw/zinc/75/58/52/915755852.db2.gz OGZJDKKTZCLYJJ-ZIAGYGMSSA-N 2 0 280.416 -0.023 20 0 CBADRP Nc1nc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)nc(N)[nH+]1 ZINC001472896000 915779369 /nfs/dbraw/zinc/77/93/69/915779369.db2.gz PXEIRFNXNNICGM-IUCAKERBSA-N 2 0 279.348 -0.929 20 0 CBADRP O=C1C[C@H](C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CN1 ZINC001473657961 915848181 /nfs/dbraw/zinc/84/81/81/915848181.db2.gz CIAMQQXRZQGQMK-WCQYABFASA-N 2 0 267.373 -0.347 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1C[C@@H]2C[NH+](C)CC[C@@H]2C1 ZINC001473703337 915848713 /nfs/dbraw/zinc/84/87/13/915848713.db2.gz IUEYMKMPRLMNSW-QLFBSQMISA-N 3 0 285.432 -0.191 20 0 CBADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](O)[C@@H](O)C2)CC1 ZINC001473722261 915849097 /nfs/dbraw/zinc/84/90/97/915849097.db2.gz OSPXTIJXBDZWBT-CABCVRRESA-N 2 0 285.432 -0.170 20 0 CBADRP COC(=O)[C@@](C)(O)CN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001473841795 915867793 /nfs/dbraw/zinc/86/77/93/915867793.db2.gz CKVNYGRSJURPLC-WXHSDQCUSA-N 2 0 256.346 -0.206 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001507316831 921807174 /nfs/dbraw/zinc/80/71/74/921807174.db2.gz FHDVUEARYDLETQ-GHMZBOCLSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001479272582 916104695 /nfs/dbraw/zinc/10/46/95/916104695.db2.gz WSYMGFYMMHYHDV-OLZOCXBDSA-N 2 0 269.389 -0.004 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001479347444 916117584 /nfs/dbraw/zinc/11/75/84/916117584.db2.gz LAAYVGLLMICEDB-BETUJISGSA-N 2 0 296.415 -0.168 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001479393091 916128916 /nfs/dbraw/zinc/12/89/16/916128916.db2.gz BXKGFYKIPVRNHZ-JOCQHMNTSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC(N)=O ZINC001479770707 916170002 /nfs/dbraw/zinc/17/00/02/916170002.db2.gz IGFLRQXKUCURIW-LBPRGKRZSA-N 2 0 282.388 -0.748 20 0 CBADRP C[NH+](C)CCCC(=O)NCCC[N@H+](C)[C@@H]1CCNC1=O ZINC001479792918 916181848 /nfs/dbraw/zinc/18/18/48/916181848.db2.gz IBOBDQBHXVTAKH-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)CC(N)=O ZINC001479815821 916183639 /nfs/dbraw/zinc/18/36/39/916183639.db2.gz OBSZCFVMRVKJBQ-UHFFFAOYSA-N 2 0 258.366 -0.750 20 0 CBADRP CCNC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001479811907 916187761 /nfs/dbraw/zinc/18/77/61/916187761.db2.gz COJBZCCUCJSIFH-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001480009684 916259185 /nfs/dbraw/zinc/25/91/85/916259185.db2.gz ZHWOSQLQZVRXLH-STQMWFEESA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]([NH2+]CCO)C2CC2)C1 ZINC001480047350 916271107 /nfs/dbraw/zinc/27/11/07/916271107.db2.gz RBRNOOBIQTZBFL-DGCLKSJQSA-N 2 0 269.389 -0.195 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001480061296 916275922 /nfs/dbraw/zinc/27/59/22/916275922.db2.gz HDGNYMBNSXRBRM-RYUDHWBXSA-N 2 0 282.388 -0.832 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC[C@H](C[N@H+](C)CC(N)=O)C1 ZINC001480085700 916283983 /nfs/dbraw/zinc/28/39/83/916283983.db2.gz SPDBJJCCVPMACH-CYBMUJFWSA-N 2 0 298.431 -0.016 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCO)C1 ZINC001480119531 916291387 /nfs/dbraw/zinc/29/13/87/916291387.db2.gz PREBAUMPIRVQOJ-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP O=C(N[C@H]1C[C@H]([NH2+]CCCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001480139537 916303394 /nfs/dbraw/zinc/30/33/94/916303394.db2.gz WQVFLNXKRFDGCW-MGPQQGTHSA-N 2 0 281.400 -0.053 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001480137981 916305296 /nfs/dbraw/zinc/30/52/96/916305296.db2.gz DGVTUZMUYOVCPM-AVGNSLFASA-N 2 0 294.399 -0.689 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1)C(N)=O ZINC001480173859 916319397 /nfs/dbraw/zinc/31/93/97/916319397.db2.gz OQFQEEWSOKGNKD-SRVKXCTJSA-N 2 0 284.404 -0.173 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001480300861 916352177 /nfs/dbraw/zinc/35/21/77/916352177.db2.gz QYIDRCBEPXDAFT-LBPRGKRZSA-N 2 0 284.404 -0.358 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001480301987 916353786 /nfs/dbraw/zinc/35/37/86/916353786.db2.gz DBLDJSGHNCETDZ-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]21)[NH+](C)C ZINC001480394788 916372262 /nfs/dbraw/zinc/37/22/62/916372262.db2.gz LFZXWDKMODXUIR-FPYNETTCSA-N 2 0 296.415 -0.363 20 0 CBADRP CCC[N@H+](C)CC(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001480410391 916375503 /nfs/dbraw/zinc/37/55/03/916375503.db2.gz HYLRNKSMZFKLCE-UHFFFAOYSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CC(N)=O)CC1 ZINC001480563691 916474848 /nfs/dbraw/zinc/47/48/48/916474848.db2.gz ZWCTVADIJZURPS-NSHDSACASA-N 2 0 284.404 -0.314 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001480566947 916479581 /nfs/dbraw/zinc/47/95/81/916479581.db2.gz XNMLNROQTSCUHP-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001480576663 916483569 /nfs/dbraw/zinc/48/35/69/916483569.db2.gz KAPUAKUXFCDRHE-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001480576664 916484869 /nfs/dbraw/zinc/48/48/69/916484869.db2.gz KAPUAKUXFCDRHE-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)C(N)=O ZINC001480591264 916487034 /nfs/dbraw/zinc/48/70/34/916487034.db2.gz FICSZBFVRZJHLL-UWVGGRQHSA-N 2 0 256.350 -0.950 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480590138 916488484 /nfs/dbraw/zinc/48/84/84/916488484.db2.gz HIMCPAZCVNLVDV-VXGBXAGGSA-N 2 0 284.404 -0.443 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001480597541 916488933 /nfs/dbraw/zinc/48/89/33/916488933.db2.gz QVZHWZJQPJPTJT-NWDGAFQWSA-N 2 0 284.404 -0.348 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001480659138 916515003 /nfs/dbraw/zinc/51/50/03/916515003.db2.gz OCAPFPKRAFIMEW-NSHDSACASA-N 2 0 270.377 -0.878 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]CCO)C1 ZINC001480700165 916519800 /nfs/dbraw/zinc/51/98/00/916519800.db2.gz DTDGBZGNAKIEEF-RYUDHWBXSA-N 2 0 257.378 -0.053 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001480754190 916529401 /nfs/dbraw/zinc/52/94/01/916529401.db2.gz QZBLUHHRZZOQNN-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP CC[N@H+](CCCO)CCNC(=O)C[NH+]1CCCC1 ZINC001481016147 916684664 /nfs/dbraw/zinc/68/46/64/916684664.db2.gz CSSMSDYDGZRNBD-UHFFFAOYSA-N 2 0 257.378 -0.097 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH+](CC)[C@H]1CCNC1=O ZINC001481012900 916687012 /nfs/dbraw/zinc/68/70/12/916687012.db2.gz DTAQWYIWEOEWRN-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1[C@H]1CCCNC1=O ZINC001481056547 916698765 /nfs/dbraw/zinc/69/87/65/916698765.db2.gz QYKLISBMYRJWQY-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001481122430 916725346 /nfs/dbraw/zinc/72/53/46/916725346.db2.gz ANZISYKISOLRJC-KBPBESRZSA-N 2 0 299.415 -0.615 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001481127410 916731780 /nfs/dbraw/zinc/73/17/80/916731780.db2.gz VDRLKZMQWATGBS-VXGBXAGGSA-N 2 0 284.404 -0.362 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CCO ZINC001481229717 916776327 /nfs/dbraw/zinc/77/63/27/916776327.db2.gz XSCMQAYVIFFCKC-GFCCVEGCSA-N 2 0 257.378 -0.101 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001481228879 916776426 /nfs/dbraw/zinc/77/64/26/916776426.db2.gz KOEZPEGLHRNECM-RYUDHWBXSA-N 2 0 284.404 -0.219 20 0 CBADRP CNC(=O)C[NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001481273568 916799019 /nfs/dbraw/zinc/79/90/19/916799019.db2.gz WDUKTMGDWFZYFT-UHFFFAOYSA-N 2 0 270.377 -0.878 20 0 CBADRP CN(CC[NH2+]CCn1cncn1)C(=O)C1CC[NH+](C)CC1 ZINC001481277139 916805860 /nfs/dbraw/zinc/80/58/60/916805860.db2.gz LKQROBZAUPNXTO-UHFFFAOYSA-N 2 0 294.403 -0.332 20 0 CBADRP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481314675 916812572 /nfs/dbraw/zinc/81/25/72/916812572.db2.gz JWIIVPQJYFEZNS-NEPJUHHUSA-N 2 0 282.388 -0.783 20 0 CBADRP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481314239 916812736 /nfs/dbraw/zinc/81/27/36/916812736.db2.gz BWSSQLSJABGERV-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP O=C(NCC[C@H]1CC[N@@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC001481455537 916837119 /nfs/dbraw/zinc/83/71/19/916837119.db2.gz AQCYMAFHLFJBFK-ZDUSSCGKSA-N 2 0 281.400 -0.097 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001481812526 916994935 /nfs/dbraw/zinc/99/49/35/916994935.db2.gz OCYXNBSBHKHRIC-FRRDWIJNSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]C[C@H](C)O ZINC001481879324 917018247 /nfs/dbraw/zinc/01/82/47/917018247.db2.gz PYAJEQRZVGYYIL-NWDGAFQWSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+][C@H](C)C(N)=O ZINC001482117037 917058338 /nfs/dbraw/zinc/05/83/38/917058338.db2.gz LSQMSCSEEYEDNQ-NWDGAFQWSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1cnon1 ZINC001482138688 917061724 /nfs/dbraw/zinc/06/17/24/917061724.db2.gz XLFQZJPYHVUFSX-SNVBAGLBSA-N 2 0 269.349 -0.137 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001482155157 917065945 /nfs/dbraw/zinc/06/59/45/917065945.db2.gz CSMOBSWJULPFOK-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001482173331 917075050 /nfs/dbraw/zinc/07/50/50/917075050.db2.gz JPPGBYADTLXFTF-SNVBAGLBSA-N 2 0 258.366 -0.846 20 0 CBADRP C[C@H](C[NH2+]CCn1cncn1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482318880 917126655 /nfs/dbraw/zinc/12/66/55/917126655.db2.gz HKTZNIGMPOTZGA-CHWSQXEVSA-N 2 0 294.403 -0.191 20 0 CBADRP CCN1CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)C1=O ZINC001482325837 917127752 /nfs/dbraw/zinc/12/77/52/917127752.db2.gz MSFMMJMECCRULY-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CN(CC[N@H+](C)CCCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001482648954 917195895 /nfs/dbraw/zinc/19/58/95/917195895.db2.gz CJSPBMYFTHJGLS-GFCCVEGCSA-N 2 0 257.378 -0.289 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CC(N)=O)C1 ZINC001482667638 917200191 /nfs/dbraw/zinc/20/01/91/917200191.db2.gz TWVCOVXSZFDQHD-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC(N)=O)CC1 ZINC001482686594 917204619 /nfs/dbraw/zinc/20/46/19/917204619.db2.gz KIUQCGFPNGRSHI-OLZOCXBDSA-N 2 0 296.415 -0.312 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC(N)=O)CC1 ZINC001482686589 917204632 /nfs/dbraw/zinc/20/46/32/917204632.db2.gz KIUQCGFPNGRSHI-CHWSQXEVSA-N 2 0 296.415 -0.312 20 0 CBADRP COCC[NH2+]C[C@@H](O)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482765692 917263046 /nfs/dbraw/zinc/26/30/46/917263046.db2.gz BBECGSWKGGAVLM-VXGBXAGGSA-N 2 0 273.377 -0.959 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]Cc1ccccn1 ZINC001482764925 917264004 /nfs/dbraw/zinc/26/40/04/917264004.db2.gz ZASIBFZPQCNWIL-ZDUSSCGKSA-N 2 0 280.372 -0.400 20 0 CBADRP Cc1nccnc1C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001482764540 917265012 /nfs/dbraw/zinc/26/50/12/917265012.db2.gz TXXIRWUHAVNROM-GFCCVEGCSA-N 2 0 295.387 -0.697 20 0 CBADRP COCC[NH2+]C[C@@H](O)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482765687 917265164 /nfs/dbraw/zinc/26/51/64/917265164.db2.gz BBECGSWKGGAVLM-NWDGAFQWSA-N 2 0 273.377 -0.959 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCCO ZINC001482800642 917289757 /nfs/dbraw/zinc/28/97/57/917289757.db2.gz XDGWXTOLPICOBQ-CHWSQXEVSA-N 2 0 287.404 -0.690 20 0 CBADRP C[C@H](CC[NH2+]Cc1nncn1C)NC(=O)CC[NH+](C)C ZINC001482867517 917315807 /nfs/dbraw/zinc/31/58/07/917315807.db2.gz IUOXYJKPEVYCGG-LLVKDONJSA-N 2 0 282.392 -0.249 20 0 CBADRP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001482868869 917317594 /nfs/dbraw/zinc/31/75/94/917317594.db2.gz XZBRZCQCGLHULM-SNVBAGLBSA-N 2 0 258.366 -0.832 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001482892369 917323197 /nfs/dbraw/zinc/32/31/97/917323197.db2.gz SQZXKYXYRHUJPB-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H](CC[NH2+]CC(=O)N(C)C)NC(=O)C[NH+]1CCCC1 ZINC001482899155 917324625 /nfs/dbraw/zinc/32/46/25/917324625.db2.gz LZRKCBBCBIAAAO-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H](CC[NH2+]CC(N)=O)NC(=O)C[NH+]1CCC(C)CC1 ZINC001482886836 917325653 /nfs/dbraw/zinc/32/56/53/917325653.db2.gz UVGBAYSTRHJGNT-GFCCVEGCSA-N 2 0 284.404 -0.312 20 0 CBADRP CCN(CC[NH2+]C[C@@H](O)COC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482941970 917346815 /nfs/dbraw/zinc/34/68/15/917346815.db2.gz DGDHTCVITOJGOT-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+][C@H]2CCNC2=O)CC[N@@H+]1C ZINC001483008203 917373254 /nfs/dbraw/zinc/37/32/54/917373254.db2.gz HUEHQWBGDZRGNW-ISVJBFRGSA-N 2 0 294.399 -0.523 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001483009898 917374287 /nfs/dbraw/zinc/37/42/87/917374287.db2.gz IHCITGPGLFJDLJ-VSQXVHSFSA-N 2 0 282.388 -0.394 20 0 CBADRP C[C@@H]([NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001483054203 917393177 /nfs/dbraw/zinc/39/31/77/917393177.db2.gz KUNURCVCQVWHAL-PGLGOXFNSA-N 2 0 282.388 -0.536 20 0 CBADRP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]CCO)[NH+](C)C ZINC001483085719 917404300 /nfs/dbraw/zinc/40/43/00/917404300.db2.gz FPYGZRUEQYFVEJ-FOQNGQEVSA-N 2 0 257.378 -0.173 20 0 CBADRP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]CCO)[NH+](C)C ZINC001483085715 917406023 /nfs/dbraw/zinc/40/60/23/917406023.db2.gz FPYGZRUEQYFVEJ-BTDICHCPSA-N 2 0 257.378 -0.173 20 0 CBADRP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001483137226 917429618 /nfs/dbraw/zinc/42/96/18/917429618.db2.gz NIJXKWLKXJYYIJ-ZYHUDNBSSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483156914 917437963 /nfs/dbraw/zinc/43/79/63/917437963.db2.gz UQFAVUQURTZTBW-MNOVXSKESA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H](C[NH2+]CCn1cncn1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483166371 917450036 /nfs/dbraw/zinc/45/00/36/917450036.db2.gz GUIHWJUTEDBHDP-CHWSQXEVSA-N 2 0 294.403 -0.286 20 0 CBADRP C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CCC[NH+](C)C ZINC001483261202 917500707 /nfs/dbraw/zinc/50/07/07/917500707.db2.gz XANMOLXBHQQNCO-JTQLQIEISA-N 2 0 298.391 -0.956 20 0 CBADRP C[C@@H](C[N@H+](C)CCn1cncn1)NC(=O)C[NH+]1CCCC1 ZINC001483420171 917558380 /nfs/dbraw/zinc/55/83/80/917558380.db2.gz MCXHUOBSECGZMM-ZDUSSCGKSA-N 2 0 294.403 -0.190 20 0 CBADRP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001483420944 917559662 /nfs/dbraw/zinc/55/96/62/917559662.db2.gz MZRDPWDCEOZCRQ-CHWSQXEVSA-N 2 0 298.431 -0.006 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)CCC[NH2+][C@H](C)C(N)=O)[NH+](C)C ZINC001483470301 917573768 /nfs/dbraw/zinc/57/37/68/917573768.db2.gz BVSNRQWUUMFFGM-NEPJUHHUSA-N 2 0 286.420 -0.116 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1)C(N)=O ZINC001483603484 917603463 /nfs/dbraw/zinc/60/34/63/917603463.db2.gz ZUNXCXKHFMNLEF-ZYHUDNBSSA-N 2 0 294.399 -0.560 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CCCO)C2CC2)C1 ZINC001483604898 917603881 /nfs/dbraw/zinc/60/38/81/917603881.db2.gz AGFKMWHADLMXEW-CHWSQXEVSA-N 2 0 269.389 -0.195 20 0 CBADRP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001483721863 917658194 /nfs/dbraw/zinc/65/81/94/917658194.db2.gz LRNSWEZUKPWVKR-RYUDHWBXSA-N 2 0 285.388 -0.674 20 0 CBADRP C[NH+]1CCC(C(=O)NCC2([NH2+][C@H]3CCNC3=O)CC2)CC1 ZINC001483765252 917672837 /nfs/dbraw/zinc/67/28/37/917672837.db2.gz WMRNCUJMAKAOEP-LBPRGKRZSA-N 2 0 294.399 -0.545 20 0 CBADRP COCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001483758740 917674022 /nfs/dbraw/zinc/67/40/22/917674022.db2.gz LVATUYSIMSGOHK-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001483795557 917684202 /nfs/dbraw/zinc/68/42/02/917684202.db2.gz WYSOQSSPOQROCD-NSHDSACASA-N 2 0 284.404 -0.301 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+][C@H](C)C(N)=O ZINC001483951861 917712546 /nfs/dbraw/zinc/71/25/46/917712546.db2.gz MNZFEJQVSFNLTF-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001484007165 917720348 /nfs/dbraw/zinc/72/03/48/917720348.db2.gz UGJPJECCGVJHRS-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+](CCOCCO)C1 ZINC001484070707 917729369 /nfs/dbraw/zinc/72/93/69/917729369.db2.gz IJAWJFDIKVEPCE-HNNXBMFYSA-N 2 0 299.415 -0.328 20 0 CBADRP CC[N@@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001484238772 917783135 /nfs/dbraw/zinc/78/31/35/917783135.db2.gz LVKXDQJQDGYCDN-CQSZACIVSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[C@H](C(=O)NC[C@@]1(O)CC[N@H+](CC)C1)[NH+](C)C ZINC001484248085 917789952 /nfs/dbraw/zinc/78/99/52/917789952.db2.gz ZNSDAURTEIOIOF-YPMHNXCESA-N 2 0 257.378 -0.101 20 0 CBADRP CO[C@@H](C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001484478151 917864055 /nfs/dbraw/zinc/86/40/55/917864055.db2.gz HYKUYXHMHLKVSC-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP CO[C@H](C)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001484478148 917866019 /nfs/dbraw/zinc/86/60/19/917866019.db2.gz HYKUYXHMHLKVSC-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H](O)C[NH2+]CCN(CCO)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001484499318 917880123 /nfs/dbraw/zinc/88/01/23/917880123.db2.gz BCWFHNDFQYEGLL-HIFRSBDPSA-N 2 0 299.415 -0.736 20 0 CBADRP COCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001484671489 917916271 /nfs/dbraw/zinc/91/62/71/917916271.db2.gz PEAFYFWCAUEFAA-STQMWFEESA-N 2 0 285.388 -0.456 20 0 CBADRP O=C(CCC[NH+]1CCCC1)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001484699848 917926772 /nfs/dbraw/zinc/92/67/72/917926772.db2.gz HXMCSRFOSRAKPB-CQSZACIVSA-N 2 0 299.415 -0.328 20 0 CBADRP CN(CCC[N@H+](C)CC(N)=O)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001484765659 917935362 /nfs/dbraw/zinc/93/53/62/917935362.db2.gz MTWKWBJFVQEWDP-GFCCVEGCSA-N 2 0 284.404 -0.406 20 0 CBADRP CCC1([NH2+]CC(N)=O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001484814780 917940736 /nfs/dbraw/zinc/94/07/36/917940736.db2.gz QIOFHGOQGWMWPT-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001484902002 917961761 /nfs/dbraw/zinc/96/17/61/917961761.db2.gz NACXGQCKWLEJHR-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001484996913 917977358 /nfs/dbraw/zinc/97/73/58/917977358.db2.gz DCVWTZTZSPHXGS-SDDRHHMPSA-N 2 0 257.378 -0.054 20 0 CBADRP C[C@H]([NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001485107417 917999278 /nfs/dbraw/zinc/99/92/78/917999278.db2.gz RGBAVGFWFMDRFJ-UNXYVOJBSA-N 2 0 294.399 -0.560 20 0 CBADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CC(N)=O ZINC001485218072 918032807 /nfs/dbraw/zinc/03/28/07/918032807.db2.gz XVNGURWTVDRQOO-UWVGGRQHSA-N 2 0 268.361 -0.950 20 0 CBADRP C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1C[NH+](CCO)C1 ZINC001485531766 918139909 /nfs/dbraw/zinc/13/99/09/918139909.db2.gz BMRAWAFFISUXBB-VXGBXAGGSA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@@H]([NH2+]CCO)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001485648114 918162857 /nfs/dbraw/zinc/16/28/57/918162857.db2.gz XICNGGPQJUJZOA-CHWSQXEVSA-N 2 0 297.399 -0.720 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001485703179 918169769 /nfs/dbraw/zinc/16/97/69/918169769.db2.gz RTTCFCCQSMSESF-SRVKXCTJSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001485695855 918171343 /nfs/dbraw/zinc/17/13/43/918171343.db2.gz PBPGETMAOGKLNV-IJLUTSLNSA-N 2 0 257.378 -0.197 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001485694909 918172250 /nfs/dbraw/zinc/17/22/50/918172250.db2.gz BNKAIDOGHWPCHE-JOCQHMNTSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001485739723 918177034 /nfs/dbraw/zinc/17/70/34/918177034.db2.gz YWTMZIZNDXMTND-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H](C)C(N)=O ZINC001485881291 918218012 /nfs/dbraw/zinc/21/80/12/918218012.db2.gz FGZMIMIBSCKCLO-QWRGUYRKSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+][C@H](C)C(N)=O ZINC001485921028 918229690 /nfs/dbraw/zinc/22/96/90/918229690.db2.gz XUCFVHDMXLAJNE-GHMZBOCLSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@H](C)C(N)=O ZINC001485919701 918231786 /nfs/dbraw/zinc/23/17/86/918231786.db2.gz OAUDDVGVBHKQDQ-NXEZZACHSA-N 2 0 258.366 -0.752 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001485919703 918232193 /nfs/dbraw/zinc/23/21/93/918232193.db2.gz OAUDDVGVBHKQDQ-VHSXEESVSA-N 2 0 258.366 -0.752 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCN1CCNC1=O ZINC001485919790 918232457 /nfs/dbraw/zinc/23/24/57/918232457.db2.gz PECGPYRFLDRXFB-GFCCVEGCSA-N 2 0 299.419 -0.600 20 0 CBADRP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001485956111 918240287 /nfs/dbraw/zinc/24/02/87/918240287.db2.gz UAZBTLHFXLGKQV-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[NH2+][C@@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001486041591 918336124 /nfs/dbraw/zinc/33/61/24/918336124.db2.gz UWQXDYVLYUAOGB-GFCCVEGCSA-N 2 0 257.378 -0.195 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001486086748 918362344 /nfs/dbraw/zinc/36/23/44/918362344.db2.gz ZHVJUUSWAIFBKY-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)C[NH+]1CCCC1 ZINC001486097261 918363625 /nfs/dbraw/zinc/36/36/25/918363625.db2.gz SVLQNFSXWYWLSL-KGLIPLIRSA-N 2 0 299.415 -0.330 20 0 CBADRP C[C@H]1[C@H]([NH2+]CCOCCO)CCN1C(=O)C[NH+]1CCCC1 ZINC001486097262 918364559 /nfs/dbraw/zinc/36/45/59/918364559.db2.gz SVLQNFSXWYWLSL-UONOGXRCSA-N 2 0 299.415 -0.330 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CCO)CN1C(=O)CCC[NH+](C)C ZINC001486122612 918372549 /nfs/dbraw/zinc/37/25/49/918372549.db2.gz SOKYVRLYYFDVBK-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CCO)CN1C(=O)CCC[NH+](C)C ZINC001486122613 918372480 /nfs/dbraw/zinc/37/24/80/918372480.db2.gz SOKYVRLYYFDVBK-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@H+](CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001486203614 918381227 /nfs/dbraw/zinc/38/12/27/918381227.db2.gz ZVYKPWOEWSIDGA-RYUDHWBXSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001488772723 918764373 /nfs/dbraw/zinc/76/43/73/918764373.db2.gz MAWPCUJPWCTPFA-UPJWGTAASA-N 2 0 269.389 -0.195 20 0 CBADRP C[NH+]1CCC(CC(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC001488777023 918765411 /nfs/dbraw/zinc/76/54/11/918765411.db2.gz JLOAWDCBJPOGTH-BETUJISGSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@@H]([NH2+][C@@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1)C(N)=O ZINC001488857947 918775270 /nfs/dbraw/zinc/77/52/70/918775270.db2.gz GKVNFDSWIVJUQP-RNJOBUHISA-N 2 0 296.415 -0.314 20 0 CBADRP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCNC1=O ZINC001490214279 918868921 /nfs/dbraw/zinc/86/89/21/918868921.db2.gz QWSPSRNVZOBPSH-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001490836703 918975148 /nfs/dbraw/zinc/97/51/48/918975148.db2.gz XVXLSZJCAOVHPQ-GRYCIOLGSA-N 2 0 282.388 -0.594 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001491079758 919024356 /nfs/dbraw/zinc/02/43/56/919024356.db2.gz GANUUIKJTSZJKQ-UTUOFQBUSA-N 2 0 284.404 -0.302 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001491073061 919025088 /nfs/dbraw/zinc/02/50/88/919025088.db2.gz DGINCWAWZSBZQK-GRYCIOLGSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[C@H](C(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC001491335583 919117565 /nfs/dbraw/zinc/11/75/65/919117565.db2.gz NFNMJRZEKXMPNY-JHJVBQTASA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(=O)N(C)C ZINC001491477654 919176643 /nfs/dbraw/zinc/17/66/43/919176643.db2.gz LHVFREVGZSBMKS-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001491674319 919251556 /nfs/dbraw/zinc/25/15/56/919251556.db2.gz NETZDMFGQLYODN-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CCCC(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001491710756 919261780 /nfs/dbraw/zinc/26/17/80/919261780.db2.gz ACPIJPZTZXNWJV-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP C[NH+]1CCC(OCC(=O)N2CC[C@H](C[NH2+]CCO)C2)CC1 ZINC001491842586 919289204 /nfs/dbraw/zinc/28/92/04/919289204.db2.gz OFNHJJCTDJLGEI-CYBMUJFWSA-N 2 0 299.415 -0.472 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001491849114 919290325 /nfs/dbraw/zinc/29/03/25/919290325.db2.gz DKRSMINBQSECIW-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001491884401 919294006 /nfs/dbraw/zinc/29/40/06/919294006.db2.gz BEUQHVRYRNPFIE-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001492128411 919326174 /nfs/dbraw/zinc/32/61/74/919326174.db2.gz SSGALYXSDVCAHA-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP CN1CCO[C@@H](C(=O)NCC[N@H+](C)C[C@@H]2CCCOC2)C1 ZINC001492220158 919361568 /nfs/dbraw/zinc/36/15/68/919361568.db2.gz DNMQWMAYDZGJGN-UONOGXRCSA-N 2 0 299.415 -0.208 20 0 CBADRP C[N@H+](CCCO)CCNC(=O)[C@H]1CCn2cncc2C1 ZINC001492309457 919387786 /nfs/dbraw/zinc/38/77/86/919387786.db2.gz TWUGAMLEHUUUID-LBPRGKRZSA-N 2 0 280.372 -0.124 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001493236931 919508329 /nfs/dbraw/zinc/50/83/29/919508329.db2.gz OCQVLQCIEOERMP-CHWSQXEVSA-N 2 0 296.415 -0.488 20 0 CBADRP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493235092 919509193 /nfs/dbraw/zinc/50/91/93/919509193.db2.gz VDJUWDKZBMXNJO-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001493235663 919509477 /nfs/dbraw/zinc/50/94/77/919509477.db2.gz XELLTGPBQUAROO-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001493549064 919576364 /nfs/dbraw/zinc/57/63/64/919576364.db2.gz CKLSUCXHPQMHQI-PWSUYJOCSA-N 2 0 282.388 -0.750 20 0 CBADRP CC[C@H]([NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)C(N)=O ZINC001493586357 919584996 /nfs/dbraw/zinc/58/49/96/919584996.db2.gz OUESALRCTOPYIP-RYUDHWBXSA-N 2 0 286.420 -0.116 20 0 CBADRP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C12CCC[NH+]1CCC2 ZINC001493613123 919588932 /nfs/dbraw/zinc/58/89/32/919588932.db2.gz MIUIGKZXPNFDGW-GFCCVEGCSA-N 2 0 294.399 -0.449 20 0 CBADRP CN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001493681623 919603085 /nfs/dbraw/zinc/60/30/85/919603085.db2.gz NFZCNDKAXHHTJL-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)C(=O)N(C)C ZINC001493807239 919625852 /nfs/dbraw/zinc/62/58/52/919625852.db2.gz XYBCFCUPVKONDB-LBPRGKRZSA-N 2 0 286.420 -0.149 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001494141530 919663817 /nfs/dbraw/zinc/66/38/17/919663817.db2.gz NFKKJLKFPXUDDG-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CCO)C1 ZINC001494856190 919801431 /nfs/dbraw/zinc/80/14/31/919801431.db2.gz LVAIITHFDLCWAR-LBPRGKRZSA-N 2 0 257.378 -0.147 20 0 CBADRP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001494849140 919804704 /nfs/dbraw/zinc/80/47/04/919804704.db2.gz WMIWBKCUASFHQT-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CCCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001495106981 919865933 /nfs/dbraw/zinc/86/59/33/919865933.db2.gz JKCQABIWGSYFIW-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCCC2CC[NH+](CC(N)=O)CC2)C1 ZINC001495541576 919901042 /nfs/dbraw/zinc/90/10/42/919901042.db2.gz ZPJPSYRRGZMGFS-ZDUSSCGKSA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C[NH2+]CC(N)=O ZINC001495690891 919926590 /nfs/dbraw/zinc/92/65/90/919926590.db2.gz JEPZXDZWVDBOIC-GFCCVEGCSA-N 2 0 296.415 -0.310 20 0 CBADRP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C[NH2+]CC(N)=O ZINC001495690892 919928403 /nfs/dbraw/zinc/92/84/03/919928403.db2.gz JEPZXDZWVDBOIC-LBPRGKRZSA-N 2 0 296.415 -0.310 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)N1CCC1 ZINC001495809740 919948455 /nfs/dbraw/zinc/94/84/55/919948455.db2.gz TVJMWNLOKWQROC-QWHCGFSZSA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)CCc1c[nH]cn1 ZINC001496077423 920023876 /nfs/dbraw/zinc/02/38/76/920023876.db2.gz DOQNRORRSAUJAV-SECBINFHSA-N 2 0 267.333 -0.736 20 0 CBADRP CC(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCO ZINC001496629112 920098243 /nfs/dbraw/zinc/09/82/43/920098243.db2.gz PYUPHFCYGCJQFG-LBPRGKRZSA-N 2 0 269.389 -0.195 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCCF ZINC001497001009 920201583 /nfs/dbraw/zinc/20/15/83/920201583.db2.gz GJBHQUBZTQXGLD-RYUDHWBXSA-N 2 0 275.368 -0.103 20 0 CBADRP CO[C@@H](C)C[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001497007853 920205621 /nfs/dbraw/zinc/20/56/21/920205621.db2.gz BCFNPXBCKGLSSY-QWHCGFSZSA-N 2 0 299.415 -0.284 20 0 CBADRP Cc1ncoc1C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001497049301 920226667 /nfs/dbraw/zinc/22/66/67/920226667.db2.gz VWBXNBAZFOSOGI-LLVKDONJSA-N 2 0 284.360 -0.499 20 0 CBADRP COCC[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001497080126 920242700 /nfs/dbraw/zinc/24/27/00/920242700.db2.gz KCNOBAGMCLWDTQ-CYBMUJFWSA-N 2 0 287.404 -0.569 20 0 CBADRP COCC[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001497080128 920245031 /nfs/dbraw/zinc/24/50/31/920245031.db2.gz KCNOBAGMCLWDTQ-ZDUSSCGKSA-N 2 0 287.404 -0.569 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC2CC2)C1 ZINC001497113224 920251966 /nfs/dbraw/zinc/25/19/66/920251966.db2.gz IEZLIQPHDAEBPR-NWDGAFQWSA-N 2 0 255.362 -0.585 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]CC(N)=O)[NH+](C)C ZINC001497265402 920276733 /nfs/dbraw/zinc/27/67/33/920276733.db2.gz VOJSTRNLGPKVNE-ZYHUDNBSSA-N 2 0 272.393 -0.458 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001497362799 920294166 /nfs/dbraw/zinc/29/41/66/920294166.db2.gz VBGFSZBKDKSEHU-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP CCN(CC[NH2+]C[C@@H](O)COC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497495295 920313667 /nfs/dbraw/zinc/31/36/67/920313667.db2.gz CKQPVDHICSBTOS-CHWSQXEVSA-N 2 0 287.404 -0.617 20 0 CBADRP CNC(=O)C[NH2+]C/C=C\CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001497600586 920349471 /nfs/dbraw/zinc/34/94/71/920349471.db2.gz KNKBVKXIWOVAAY-DHCBQETCSA-N 2 0 296.415 -0.131 20 0 CBADRP CNC(=O)C[NH2+]C/C=C\CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001497600589 920349929 /nfs/dbraw/zinc/34/99/29/920349929.db2.gz KNKBVKXIWOVAAY-SCOBNMCVSA-N 2 0 296.415 -0.131 20 0 CBADRP CN1CC[C@@H]([NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001497651287 920364400 /nfs/dbraw/zinc/36/44/00/920364400.db2.gz WAWPHQPNJLREKR-FGTRRKKMSA-N 2 0 294.399 -0.427 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001497898609 920420428 /nfs/dbraw/zinc/42/04/28/920420428.db2.gz DJAYAMWDTUVWNI-NEPJUHHUSA-N 2 0 298.431 -0.101 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497983745 920434237 /nfs/dbraw/zinc/43/42/37/920434237.db2.gz KRHKYXIQTWHYAD-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP Cc1nccn1CC(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001497988183 920435120 /nfs/dbraw/zinc/43/51/20/920435120.db2.gz WXFGARSOXUOQLV-SNVBAGLBSA-N 2 0 281.360 -0.626 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001498064090 920468192 /nfs/dbraw/zinc/46/81/92/920468192.db2.gz GXUYOWHHPOCKOC-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001498118633 920489378 /nfs/dbraw/zinc/48/93/78/920489378.db2.gz UHQYKRKMHNWMST-NEPJUHHUSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)C[NH+]1CCCC1 ZINC001498190721 920516955 /nfs/dbraw/zinc/51/69/55/920516955.db2.gz SXJJSNCFJLSZTA-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH+](C)CCC(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001498390343 920574337 /nfs/dbraw/zinc/57/43/37/920574337.db2.gz HDPFQHQMUGCVPM-LBPRGKRZSA-N 2 0 282.388 -0.641 20 0 CBADRP CC[NH+](C)CCC(=O)N1CC(NC(=O)CC[N@@H+](C)CC)C1 ZINC001498414548 920579701 /nfs/dbraw/zinc/57/97/01/920579701.db2.gz YRAWRMXRCQCAKS-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[NH+](CC)CC(=O)NCC1CN(C(=O)CC[NH+](C)C)C1 ZINC001498559695 920610128 /nfs/dbraw/zinc/61/01/28/920610128.db2.gz BPUINPFKEADZPH-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP CN(CCC[NH2+]CC(N)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001498603178 920617073 /nfs/dbraw/zinc/61/70/73/920617073.db2.gz MOENLENYVPGLBG-UHFFFAOYSA-N 2 0 270.377 -0.748 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001498655971 920624108 /nfs/dbraw/zinc/62/41/08/920624108.db2.gz XPIJQSUMFAOFTD-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)CCC1 ZINC001498768908 920638756 /nfs/dbraw/zinc/63/87/56/920638756.db2.gz FOQQDHWIQUVUHZ-NSHDSACASA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+][C@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC001499230591 920726084 /nfs/dbraw/zinc/72/60/84/920726084.db2.gz ABVWNKXXXHDHMH-UTUOFQBUSA-N 2 0 294.399 -0.547 20 0 CBADRP C[NH+](C)CCCC(=O)NCC1([NH2+]CC(=O)N2CCC2)CC1 ZINC001499329981 920736404 /nfs/dbraw/zinc/73/64/04/920736404.db2.gz MWTNNHRBPOBVPD-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001499843152 920773563 /nfs/dbraw/zinc/77/35/63/920773563.db2.gz FQEMMTJDTIKAAC-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCC[NH+](C)C ZINC001499844982 920774064 /nfs/dbraw/zinc/77/40/64/920774064.db2.gz SXAOVAKRBWUUNO-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001499909526 920784645 /nfs/dbraw/zinc/78/46/45/920784645.db2.gz WRJRZDSMXXLKPU-LBPRGKRZSA-N 2 0 294.399 -0.319 20 0 CBADRP C[NH+]1CCC(OCC(=O)N[C@@]2(C)CC[N@H+](CCO)C2)CC1 ZINC001500272288 920823209 /nfs/dbraw/zinc/82/32/09/920823209.db2.gz MKNIYDWSPLPKRH-HNNXBMFYSA-N 2 0 299.415 -0.330 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001500762826 920877730 /nfs/dbraw/zinc/87/77/30/920877730.db2.gz PVOFMOQZDBHNLY-JSGCOSHPSA-N 2 0 285.388 -0.984 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001501051086 920939307 /nfs/dbraw/zinc/93/93/07/920939307.db2.gz RHAZTOSBRLUQJQ-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP O=C(N(CCO)CC[NH2+]CCO)C12CCC[NH+](CCC1)C2 ZINC001501465782 921022140 /nfs/dbraw/zinc/02/21/40/921022140.db2.gz IDOGWMQKGVLAKL-UHFFFAOYSA-N 2 0 299.415 -0.735 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001507329478 921811368 /nfs/dbraw/zinc/81/13/68/921811368.db2.gz VJRIBPMYMHBIAI-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001507329474 921812716 /nfs/dbraw/zinc/81/27/16/921812716.db2.gz VJRIBPMYMHBIAI-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP CN(C[C@@H](O)C[NH2+]CCCO)C(=O)C1([NH+](C)C)CCC1 ZINC001507485470 921846493 /nfs/dbraw/zinc/84/64/93/921846493.db2.gz YLNPPWMSRWPJOM-LBPRGKRZSA-N 2 0 287.404 -0.738 20 0 CBADRP CC[NH2+]C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001507500614 921856147 /nfs/dbraw/zinc/85/61/47/921856147.db2.gz VKXRWHRQYCXUDW-NSHDSACASA-N 2 0 257.378 -0.243 20 0 CBADRP Cc1oncc1C[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001507501586 921860703 /nfs/dbraw/zinc/86/07/03/921860703.db2.gz AQDPKURNWQKCMQ-ZDUSSCGKSA-N 2 0 298.387 -0.156 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+]CCO)C1 ZINC001508145724 921916717 /nfs/dbraw/zinc/91/67/17/921916717.db2.gz QHZGDGBKYBGEIT-UHFFFAOYSA-N 2 0 257.378 -0.101 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC001514597610 922208724 /nfs/dbraw/zinc/20/87/24/922208724.db2.gz UCARBEUOJNUAKQ-SFYZADRCSA-N 2 0 251.277 -0.584 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)Cc1[nH]cnc1C ZINC001514597919 922209749 /nfs/dbraw/zinc/20/97/49/922209749.db2.gz VFMYDALUAMNWEC-JTQLQIEISA-N 2 0 252.318 -0.293 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)[C@H](CO)C1 ZINC001515357589 922230436 /nfs/dbraw/zinc/23/04/36/922230436.db2.gz HAGPPAAVYRERFX-DCAQKATOSA-N 2 0 255.362 -0.505 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001515670703 922242194 /nfs/dbraw/zinc/24/21/94/922242194.db2.gz VBEXFSTWPDQMFJ-TUAOUCFPSA-N 2 0 257.378 -0.291 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC12CC[NH+](CC1)C2 ZINC001520374333 922307106 /nfs/dbraw/zinc/30/71/06/922307106.db2.gz TULNLCYHXURNQA-NWDGAFQWSA-N 2 0 264.373 -0.661 20 0 CBADRP C[C@@H]1[C@H](NC(=O)[C@@H]2C[NH+]3CCN2C[C@H]3C)CC[N@@H+]1C ZINC001520694930 922317959 /nfs/dbraw/zinc/31/79/59/922317959.db2.gz LNVDCQCCKLVTMP-LPWJVIDDSA-N 2 0 266.389 -0.417 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC001521152467 922336377 /nfs/dbraw/zinc/33/63/77/922336377.db2.gz WHDNPDSDDXZGCM-NXEZZACHSA-N 2 0 257.334 -0.617 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCC[NH+]1CCCC1 ZINC001521414670 922353724 /nfs/dbraw/zinc/35/37/24/922353724.db2.gz MQAZRHWDRLDISV-RYUDHWBXSA-N 2 0 257.378 -0.195 20 0 CBADRP [NH3+]CC1(C(=O)NC2CC[NH+](C3CC3)CC2)CC(O)C1 ZINC001521425146 922354240 /nfs/dbraw/zinc/35/42/40/922354240.db2.gz SQAUXZMREYLNRT-UHFFFAOYSA-N 2 0 267.373 -0.171 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCC[NH+]1CCCC1 ZINC001521414668 922354624 /nfs/dbraw/zinc/35/46/24/922354624.db2.gz MQAZRHWDRLDISV-NEPJUHHUSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@H]1C[NH+](CCCCNC(=O)CNCC[NH3+])C[C@H](C)O1 ZINC001521445653 922356647 /nfs/dbraw/zinc/35/66/47/922356647.db2.gz IBRNLFYOZIRKFZ-STQMWFEESA-N 2 0 286.420 -0.460 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001521508070 922361266 /nfs/dbraw/zinc/36/12/66/922361266.db2.gz OPPJQHZMUBTNLE-JOYOIKCWSA-N 2 0 254.334 -0.404 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@H](O)C[NH3+])C1 ZINC001521482884 922361802 /nfs/dbraw/zinc/36/18/02/922361802.db2.gz XMRBAADROCWCLI-NEPJUHHUSA-N 2 0 257.378 -0.210 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001521495799 922362173 /nfs/dbraw/zinc/36/21/73/922362173.db2.gz LGEXKXQHKQMIPC-QWHCGFSZSA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC[C@@H]([NH3+])C1 ZINC001521526668 922364739 /nfs/dbraw/zinc/36/47/39/922364739.db2.gz FTVKEDYBMCTYML-IJLUTSLNSA-N 2 0 252.362 -0.676 20 0 CBADRP [NH3+]CC1(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC(O)C1 ZINC001521533224 922365628 /nfs/dbraw/zinc/36/56/28/922365628.db2.gz DNNRWLFKAWNUKP-QRMWWUJWSA-N 2 0 267.373 -0.312 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001521508755 922367381 /nfs/dbraw/zinc/36/73/81/922367381.db2.gz ZGKPZXRBNWSBNQ-VXGBXAGGSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@@H]1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC001521697147 922373035 /nfs/dbraw/zinc/37/30/35/922373035.db2.gz HMNXIDVHXLGQAM-BZPMIXESSA-N 2 0 269.389 -0.066 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC1([NH+](C)C)CC1 ZINC001521666488 922373818 /nfs/dbraw/zinc/37/38/18/922373818.db2.gz LNTAYWRLASASPP-RYUDHWBXSA-N 2 0 266.389 -0.415 20 0 CBADRP C[C@@H]([NH3+])CONC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001521806886 922380072 /nfs/dbraw/zinc/38/00/72/922380072.db2.gz MMADZRRKWAOSPI-BDAKNGLRSA-N 2 0 268.321 -0.789 20 0 CBADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001521976074 922393411 /nfs/dbraw/zinc/39/34/11/922393411.db2.gz VHNPCYXZPMBMTN-AXFHLTTASA-N 2 0 255.362 -0.003 20 0 CBADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001521976077 922394145 /nfs/dbraw/zinc/39/41/45/922394145.db2.gz VHNPCYXZPMBMTN-DCAQKATOSA-N 2 0 255.362 -0.003 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CC3CC2(C[NH3+])C3)C1=O ZINC001521993406 922395836 /nfs/dbraw/zinc/39/58/36/922395836.db2.gz OJTDRPJXJDIOTF-IQLKVPPVSA-N 2 0 280.372 -0.867 20 0 CBADRP [NH3+]C[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(F)cc1 ZINC001522080927 922398162 /nfs/dbraw/zinc/39/81/62/922398162.db2.gz BXLFSMQEKJWEGQ-UTUOFQBUSA-N 2 0 267.304 -0.683 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001522278853 922402666 /nfs/dbraw/zinc/40/26/66/922402666.db2.gz OONHETLIPMABTO-IJLUTSLNSA-N 2 0 254.378 -0.476 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC001522247045 922404510 /nfs/dbraw/zinc/40/45/10/922404510.db2.gz BRMVTQSBEIUALO-CYBMUJFWSA-N 2 0 263.341 -0.058 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2NC(=O)C[C@@]23CC[NH2+]C3)C1 ZINC001522310281 922407003 /nfs/dbraw/zinc/40/70/03/922407003.db2.gz AQHHYKATYKENFD-GXFFZTMASA-N 2 0 266.345 -0.676 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC001522404890 922410843 /nfs/dbraw/zinc/41/08/43/922410843.db2.gz CXSXKSFGAAUNIT-PRJMDXOYSA-N 2 0 269.267 -0.708 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)CC[NH3+])C2 ZINC001522580787 922474387 /nfs/dbraw/zinc/47/43/87/922474387.db2.gz FYKUHTIYHLFJMF-SBMIAAHKSA-N 2 0 255.318 -0.926 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC001522641082 922496196 /nfs/dbraw/zinc/49/61/96/922496196.db2.gz WWLGLOLDBUEYRB-GFCCVEGCSA-N 2 0 268.405 -0.085 20 0 CBADRP CC1(C)CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1[NH3+] ZINC001522704495 922503504 /nfs/dbraw/zinc/50/35/04/922503504.db2.gz AXZLTZINYSUNFE-UWVGGRQHSA-N 2 0 268.361 -0.950 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001522696611 922505078 /nfs/dbraw/zinc/50/50/78/922505078.db2.gz DOEVVMPCXAQINQ-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@H](C(=O)NCCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001522765411 922516878 /nfs/dbraw/zinc/51/68/78/922516878.db2.gz TWMCCMGJXKFTQJ-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCCNC(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001522793391 922523313 /nfs/dbraw/zinc/52/33/13/922523313.db2.gz AOJSWXMBCLBTGO-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001523010433 922557931 /nfs/dbraw/zinc/55/79/31/922557931.db2.gz REGFANFUIFWPBO-GMXVVIOVSA-N 2 0 255.362 -0.313 20 0 CBADRP C[NH2+][C@@H](C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1cnn(C)c1 ZINC001523037320 922565499 /nfs/dbraw/zinc/56/54/99/922565499.db2.gz BDYUCPQNIGJAQS-FBIMIBRVSA-N 2 0 251.334 -0.514 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)c1coc(C[NH3+])c1 ZINC001523586219 922601780 /nfs/dbraw/zinc/60/17/80/922601780.db2.gz MFKGHCQGRBHFKB-JTQLQIEISA-N 2 0 253.302 -0.201 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC001523605144 922602126 /nfs/dbraw/zinc/60/21/26/922602126.db2.gz DZPFHGFJIKSQGY-GARJFASQSA-N 2 0 254.378 -0.349 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21)[C@@H]1C[N@H+](C)CCN1C ZINC001524029769 922615402 /nfs/dbraw/zinc/61/54/02/922615402.db2.gz SJNIMEAECGBJBG-QNWJLWSRSA-N 2 0 266.389 -0.655 20 0 CBADRP C[C@]1(C(=O)NCC[C@@H]2CCC[NH2+]CC2)C[C@@H](O)C[NH2+]1 ZINC001524222003 922627587 /nfs/dbraw/zinc/62/75/87/922627587.db2.gz HFDWPCWXBDRQQP-YRGRVCCFSA-N 2 0 269.389 -0.005 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001530448844 922939302 /nfs/dbraw/zinc/93/93/02/922939302.db2.gz OMLOQAMHKQULAL-GFCCVEGCSA-N 2 0 296.415 -0.395 20 0 CBADRP C[NH+](C)CCC(=O)N1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001530518603 922946066 /nfs/dbraw/zinc/94/60/66/922946066.db2.gz YDYCBFPYEIFWFU-UHFFFAOYSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001548547971 923370973 /nfs/dbraw/zinc/37/09/73/923370973.db2.gz LSWREQPMQCBHSH-OLZOCXBDSA-N 2 0 268.405 -0.119 20 0 CBADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001548547977 923371942 /nfs/dbraw/zinc/37/19/42/923371942.db2.gz LSWREQPMQCBHSH-STQMWFEESA-N 2 0 268.405 -0.119 20 0 CBADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1C[NH2+]CCN1C ZINC001548547966 923372495 /nfs/dbraw/zinc/37/24/95/923372495.db2.gz LSWREQPMQCBHSH-CHWSQXEVSA-N 2 0 268.405 -0.119 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC001548554555 923376751 /nfs/dbraw/zinc/37/67/51/923376751.db2.gz ALELIQUXEOGOIG-RNCFNFMXSA-N 2 0 278.356 -0.118 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCO3)CC[N@@H+]1C ZINC001548552181 923376804 /nfs/dbraw/zinc/37/68/04/923376804.db2.gz FAFWTXCRGUGVAU-OPDFLTKYSA-N 2 0 267.373 -0.036 20 0 CBADRP C[C@H](c1cccnc1)N1CCN(C(=O)C[C@@H](O)C[NH3+])CC1 ZINC001548555608 923378134 /nfs/dbraw/zinc/37/81/34/923378134.db2.gz TYWDFFZCRBJFFB-TZMCWYRMSA-N 2 0 292.383 -0.004 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@H]1C[NH2+]CCC1(F)F ZINC001548557197 923379005 /nfs/dbraw/zinc/37/90/05/923379005.db2.gz SYUDDWOTVHAGFN-GXSJLCMTSA-N 2 0 277.315 -0.396 20 0 CBADRP O=C(C1=NOC2(C1)CC[NH2+]CC2)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001548557773 923380307 /nfs/dbraw/zinc/38/03/07/923380307.db2.gz CPALGPFRPYSGFD-PWSUYJOCSA-N 2 0 278.356 -0.295 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001548558315 923383073 /nfs/dbraw/zinc/38/30/73/923383073.db2.gz HSGKFPGGSGWTEP-HZSPNIEDSA-N 2 0 280.416 -0.262 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001548558802 923383219 /nfs/dbraw/zinc/38/32/19/923383219.db2.gz KHCKETFHWUEBKD-RISCZKNCSA-N 2 0 296.371 -0.620 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001548558312 923383779 /nfs/dbraw/zinc/38/37/79/923383779.db2.gz HSGKFPGGSGWTEP-BFHYXJOUSA-N 2 0 280.416 -0.262 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001548558321 923384476 /nfs/dbraw/zinc/38/44/76/923384476.db2.gz HSGKFPGGSGWTEP-MGPQQGTHSA-N 2 0 280.416 -0.262 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001548558384 923384657 /nfs/dbraw/zinc/38/46/57/923384657.db2.gz IOMAYFDJSUEYKW-OAHLLOKOSA-N 2 0 299.415 -0.328 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)NCC[C@H]1CSCC[NH2+]1 ZINC001548564823 923386727 /nfs/dbraw/zinc/38/67/27/923386727.db2.gz GVVJUJRZJRGWTA-WCQYABFASA-N 2 0 287.429 -0.298 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)NCC[C@@H]1CSCC[NH2+]1 ZINC001548562488 923387469 /nfs/dbraw/zinc/38/74/69/923387469.db2.gz DOWOPSUVEUNKSW-MNOVXSKESA-N 2 0 273.402 -0.424 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)CCCO1 ZINC001548562490 923387873 /nfs/dbraw/zinc/38/78/73/923387873.db2.gz QHVKPSMYDFWBJO-FZMZJTMJSA-N 2 0 296.371 -0.539 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CCCC[NH2+]1 ZINC001548569549 923388860 /nfs/dbraw/zinc/38/88/60/923388860.db2.gz PHQPOVQHNLBXMX-SMDDNHRTSA-N 2 0 283.372 -0.608 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001548568448 923389655 /nfs/dbraw/zinc/38/96/55/923389655.db2.gz GZHHDBXAINSLGI-RWMBFGLXSA-N 2 0 279.384 -0.131 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001548566024 923389808 /nfs/dbraw/zinc/38/98/08/923389808.db2.gz RZQWZXHEHDMPEM-QWRGUYRKSA-N 2 0 272.418 -0.899 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC001548565743 923389911 /nfs/dbraw/zinc/38/99/11/923389911.db2.gz QGNYUIZZPPUHPT-YPMHNXCESA-N 2 0 263.341 -0.219 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001548568429 923391839 /nfs/dbraw/zinc/39/18/39/923391839.db2.gz GUMCRXSQCBZUTM-UWVGGRQHSA-N 2 0 271.386 -0.671 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)NCC[C@H]2CSCC[NH2+]2)=NO1 ZINC001548566064 923391961 /nfs/dbraw/zinc/39/19/61/923391961.db2.gz UAKRGLATJGIURU-DTWKUNHWSA-N 2 0 272.374 -0.699 20 0 CBADRP O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001548574468 923399337 /nfs/dbraw/zinc/39/93/37/923399337.db2.gz BMFRGCNOCMNTKS-OLZOCXBDSA-N 2 0 281.400 -0.051 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC001548576189 923399955 /nfs/dbraw/zinc/39/99/55/923399955.db2.gz MSAWOHGURORQMG-ZDUSSCGKSA-N 2 0 290.367 -0.226 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548576101 923400288 /nfs/dbraw/zinc/40/02/88/923400288.db2.gz LOHSSDJTVNZCSG-JTQLQIEISA-N 2 0 255.362 -0.036 20 0 CBADRP CC1(C)CN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC2(C[NH2+]C2)O1 ZINC001548575382 923400887 /nfs/dbraw/zinc/40/08/87/923400887.db2.gz AXBDFXXFXPDFPP-LBPRGKRZSA-N 2 0 297.399 -0.266 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC001548575304 923401135 /nfs/dbraw/zinc/40/11/35/923401135.db2.gz AWLWLCJZHONIFS-GXTWGEPZSA-N 2 0 277.368 -0.088 20 0 CBADRP O=C(c1ccc2c[nH+]cn2c1)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001548577346 923403385 /nfs/dbraw/zinc/40/33/85/923403385.db2.gz CGRKASDEUMWELQ-AWEZNQCLSA-N 2 0 285.307 -0.057 20 0 CBADRP CC1(C)CN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC2(C[NH2+]C2)O1 ZINC001548577330 923403597 /nfs/dbraw/zinc/40/35/97/923403597.db2.gz ZHBRGJNYTXGJTP-CQSZACIVSA-N 2 0 297.399 -0.279 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548580461 923404607 /nfs/dbraw/zinc/40/46/07/923404607.db2.gz YCVYOPSEOAOQMW-QWRGUYRKSA-N 2 0 267.373 -0.036 20 0 CBADRP COC[C@]1(C(=O)N2CCC3(CC2)C[NH2+]CCO3)CC[NH2+]C1 ZINC001548586752 923407390 /nfs/dbraw/zinc/40/73/90/923407390.db2.gz SGNHIWHIGQRHFG-AWEZNQCLSA-N 2 0 297.399 -0.407 20 0 CBADRP CC1(C)CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@@H]1[NH3+] ZINC001548585951 923408427 /nfs/dbraw/zinc/40/84/27/923408427.db2.gz QDOZOJSBYFCHEE-MNOVXSKESA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC001548630669 923416545 /nfs/dbraw/zinc/41/65/45/923416545.db2.gz JZEVPQCFOVIBFF-IPYPFGDCSA-N 2 0 292.427 -0.025 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC001548630670 923417392 /nfs/dbraw/zinc/41/73/92/923417392.db2.gz JZEVPQCFOVIBFF-NFAWXSAZSA-N 2 0 292.427 -0.025 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC001548640575 923423145 /nfs/dbraw/zinc/42/31/45/923423145.db2.gz WXIHGWSBIYRIIX-RDBSUJKOSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001548645012 923428484 /nfs/dbraw/zinc/42/84/84/923428484.db2.gz WXZLFTWFTXQPKL-TZMCWYRMSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC001548644738 923429096 /nfs/dbraw/zinc/42/90/96/923429096.db2.gz WBINMDPLKRTHTN-BPLDGKMQSA-N 2 0 292.427 -0.073 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH+]1CCCOCC1 ZINC001548689893 923452032 /nfs/dbraw/zinc/45/20/32/923452032.db2.gz IUWLKYYCRYPZMM-UONOGXRCSA-N 2 0 296.415 -0.787 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21 ZINC001548708149 923462751 /nfs/dbraw/zinc/46/27/51/923462751.db2.gz JWXNQMBYFNLPBB-YIYPIFLZSA-N 2 0 278.400 -0.463 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC001548708148 923464653 /nfs/dbraw/zinc/46/46/53/923464653.db2.gz JWXNQMBYFNLPBB-XJFOESAGSA-N 2 0 278.400 -0.463 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC001548708150 923464767 /nfs/dbraw/zinc/46/47/67/923464767.db2.gz JWXNQMBYFNLPBB-ZOBORPQBSA-N 2 0 278.400 -0.463 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC001548716611 923468945 /nfs/dbraw/zinc/46/89/45/923468945.db2.gz VTORLDQXYUTPDD-FQUUOJAGSA-N 2 0 278.400 -0.463 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC001548716612 923469027 /nfs/dbraw/zinc/46/90/27/923469027.db2.gz VTORLDQXYUTPDD-IGQOVBAYSA-N 2 0 278.400 -0.463 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC001548723059 923477151 /nfs/dbraw/zinc/47/71/51/923477151.db2.gz CJYQABMLLZXVLI-BARDWOONSA-N 2 0 292.427 -0.073 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001548747538 923490988 /nfs/dbraw/zinc/49/09/88/923490988.db2.gz PNQRQRDDOOIWNB-HIFRSBDPSA-N 2 0 299.415 -0.520 20 0 CBADRP [NH3+][C@H]1C[C@@H]1C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC001549026363 923521664 /nfs/dbraw/zinc/52/16/64/923521664.db2.gz QKBMRJFWNCNUPO-RYUDHWBXSA-N 2 0 275.356 -0.003 20 0 CBADRP [NH3+][C@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC12CC2 ZINC001549024217 923522162 /nfs/dbraw/zinc/52/21/62/923522162.db2.gz COHRKJNHQUFMJU-QWRGUYRKSA-N 2 0 268.361 -0.502 20 0 CBADRP [NH3+][C@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC12CC2 ZINC001549024216 923524124 /nfs/dbraw/zinc/52/41/24/923524124.db2.gz COHRKJNHQUFMJU-MNOVXSKESA-N 2 0 268.361 -0.502 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549033387 923525399 /nfs/dbraw/zinc/52/53/99/923525399.db2.gz GACIUBZTQRYQKB-WOPDTQHZSA-N 2 0 265.361 -0.344 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3[NH3+])C2)nn1 ZINC001549031966 923526523 /nfs/dbraw/zinc/52/65/23/923526523.db2.gz DXXVRCNENBEMJX-GMTAPVOTSA-N 2 0 264.333 -0.753 20 0 CBADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001549044059 923529608 /nfs/dbraw/zinc/52/96/08/923529608.db2.gz XAKATJFBLAUGBG-ZIAGYGMSSA-N 3 0 280.416 -0.260 20 0 CBADRP COC1(C(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)CC[NH2+]CC1 ZINC001549044558 923532152 /nfs/dbraw/zinc/53/21/52/923532152.db2.gz CPHJLPBNEBTDSX-VXGBXAGGSA-N 2 0 283.372 -0.656 20 0 CBADRP Nc1cc[nH+]cc1C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549044758 923534578 /nfs/dbraw/zinc/53/45/78/923534578.db2.gz CJZRJWSPFBOMFJ-RYUDHWBXSA-N 2 0 262.313 -0.303 20 0 CBADRP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549045022 923536230 /nfs/dbraw/zinc/53/62/30/923536230.db2.gz QDHFCGYNFGIWKE-YNEHKIRRSA-N 2 0 279.384 -0.035 20 0 CBADRP [NH3+]Cc1cc(C(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)ccn1 ZINC001549045129 923537186 /nfs/dbraw/zinc/53/71/86/923537186.db2.gz UYRMURZIDLWJPN-CHWSQXEVSA-N 2 0 276.340 -0.257 20 0 CBADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC001549045917 923539486 /nfs/dbraw/zinc/53/94/86/923539486.db2.gz WIBKVVLGTYEGCG-NEPJUHHUSA-N 2 0 277.324 -0.170 20 0 CBADRP COC[C@@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001549046244 923540373 /nfs/dbraw/zinc/54/03/73/923540373.db2.gz PZCITJSQICNXOS-RNFRBKRXSA-N 2 0 270.358 -0.129 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001549047133 923541990 /nfs/dbraw/zinc/54/19/90/923541990.db2.gz KXPALBGCJDHOAN-JQWIXIFHSA-N 2 0 280.376 -0.244 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001549047550 923543059 /nfs/dbraw/zinc/54/30/59/923543059.db2.gz RKGGGIHSZVLMKF-WCFLWFBJSA-N 2 0 292.387 -0.102 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC001549047286 923543386 /nfs/dbraw/zinc/54/33/86/923543386.db2.gz NJZPQCIWOXJCIT-AGIUHOORSA-N 2 0 285.388 -0.295 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001549047549 923544910 /nfs/dbraw/zinc/54/49/10/923544910.db2.gz RKGGGIHSZVLMKF-UHTWSYAYSA-N 2 0 292.387 -0.102 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3CC[NH2+]C3)C2)nn1 ZINC001549047620 923544972 /nfs/dbraw/zinc/54/49/72/923544972.db2.gz UYMGAERWNFSZEM-CMPLNLGQSA-N 2 0 278.360 -0.490 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001549048502 923545904 /nfs/dbraw/zinc/54/59/04/923545904.db2.gz NRJSBLRAHJZGJB-LSJOCFKGSA-N 2 0 251.334 -0.590 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)C(C)(C)C[NH3+])C[C@H]2[NH3+])cn1 ZINC001549049022 923546343 /nfs/dbraw/zinc/54/63/43/923546343.db2.gz ALQVJVVLGUZNNE-GHMZBOCLSA-N 2 0 265.361 -0.342 20 0 CBADRP CC[NH2+]CC(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549048060 923547667 /nfs/dbraw/zinc/54/76/67/923547667.db2.gz IANJTAFCZPEDDX-GHMZBOCLSA-N 2 0 251.334 -0.717 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C[C@@H]3C[NH2+]CCO3)C[C@H]2[NH3+])cn1 ZINC001549049069 923548129 /nfs/dbraw/zinc/54/81/29/923548129.db2.gz CEFUBGQKEWZBQF-FRRDWIJNSA-N 2 0 293.371 -0.948 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)C[NH2+]C3CC3)C[C@@H]2[NH3+])cn1 ZINC001549049803 923549145 /nfs/dbraw/zinc/54/91/45/923549145.db2.gz IGESBUOFQDFYGR-NEPJUHHUSA-N 2 0 263.345 -0.575 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C3CC([NH3+])C3)C[C@@H]2[NH3+])cn1 ZINC001549050810 923549248 /nfs/dbraw/zinc/54/92/48/923549248.db2.gz OKFVTTCMHLTLMX-XLSSUDTFSA-N 2 0 263.345 -0.590 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549050800 923549441 /nfs/dbraw/zinc/54/94/41/923549441.db2.gz NXXLNHXQOFZMIU-GAIPPQHRSA-N 2 0 265.361 -0.344 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@@]34CC[NH2+]C4)C[C@H]2[NH3+])cn1 ZINC001549052181 923549834 /nfs/dbraw/zinc/54/98/34/923549834.db2.gz WDQAYEKPSMSHGG-RMRHIDDWSA-N 2 0 289.383 -0.327 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)[C@H]3C[NH2+]CCO3)CC2)C1 ZINC001549051177 923550223 /nfs/dbraw/zinc/55/02/23/923550223.db2.gz RRRPARTVUPMRMX-MGPQQGTHSA-N 2 0 297.399 -0.280 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)c3c[nH+]ccc3N)C[C@H]2[NH3+])cn1 ZINC001549052798 923550437 /nfs/dbraw/zinc/55/04/37/923550437.db2.gz WNYBLRMRCRQBPY-DGCLKSJQSA-N 2 0 286.339 -0.205 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549052077 923550479 /nfs/dbraw/zinc/55/04/79/923550479.db2.gz VUAOFMMCDNDQEX-FTYKPCCVSA-N 2 0 277.372 -0.329 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549050420 923550539 /nfs/dbraw/zinc/55/05/39/923550539.db2.gz MZXDDQLWPDSGFA-IEBDPFPHSA-N 2 0 251.334 -0.732 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)c3c[nH+]ccc3N)C[C@@H]2[NH3+])cn1 ZINC001549052792 923551189 /nfs/dbraw/zinc/55/11/89/923551189.db2.gz WNYBLRMRCRQBPY-AAEUAGOBSA-N 2 0 286.339 -0.205 20 0 CBADRP CC(=O)N1CC[C@]([NH3+])(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001549126834 923559527 /nfs/dbraw/zinc/55/95/27/923559527.db2.gz FETXLTPJAAKDEU-AEGPPILISA-N 2 0 294.399 -0.477 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001549124761 923559693 /nfs/dbraw/zinc/55/96/93/923559693.db2.gz ZRLONGRSHQIOPB-QNWHQSFQSA-N 2 0 285.388 -0.295 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)[C@@H]1C[NH2+]CCOC1)C2 ZINC001549129963 923559760 /nfs/dbraw/zinc/55/97/60/923559760.db2.gz UQRFEVZUNMIPCF-BZPMIXESSA-N 2 0 267.373 -0.190 20 0 CBADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)[C@@H]2C1 ZINC001549126034 923560143 /nfs/dbraw/zinc/56/01/43/923560143.db2.gz YYNUKXUYABSXMS-CXTNEJHOSA-N 2 0 295.383 -0.846 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)[C@H]1C[NH2+]CCOC1)C2 ZINC001549129964 923560236 /nfs/dbraw/zinc/56/02/36/923560236.db2.gz UQRFEVZUNMIPCF-SCRDCRAPSA-N 2 0 267.373 -0.190 20 0 CBADRP CC(=O)N1CC[C@]([NH3+])(C(=O)N2C[C@@H]3CCC[C@@]3(C[NH3+])C2)C1 ZINC001549126838 923560847 /nfs/dbraw/zinc/56/08/47/923560847.db2.gz FETXLTPJAAKDEU-NWANDNLSSA-N 2 0 294.399 -0.477 20 0 CBADRP CO[C@@H]1C[NH2+][C@H](C(=O)N2C[C@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001549127371 923561341 /nfs/dbraw/zinc/56/13/41/923561341.db2.gz CXAXKIAQUQOVJN-UHXUPSOCSA-N 2 0 267.373 -0.049 20 0 CBADRP O=C([C@@H]1CCC[NH2+]CC1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549122149 923561636 /nfs/dbraw/zinc/56/16/36/923561636.db2.gz PENNJIXWFJJJMW-FRRDWIJNSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH2+][C@H](C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001549170725 923562951 /nfs/dbraw/zinc/56/29/51/923562951.db2.gz SNPCDNZTINCLOQ-DVVUODLYSA-N 2 0 251.334 -0.719 20 0 CBADRP C[NH2+][C@H](C)C(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001549170731 923567674 /nfs/dbraw/zinc/56/76/74/923567674.db2.gz SNPCDNZTINCLOQ-MIMYLULJSA-N 2 0 251.334 -0.719 20 0 CBADRP CN(C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@H]1CC[N@H+](C)C1 ZINC001549211094 923569499 /nfs/dbraw/zinc/56/94/99/923569499.db2.gz TYTYDBMYBDJQGU-RYUDHWBXSA-N 2 0 270.377 -0.290 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)CC[C@@H]1F ZINC001549212369 923571735 /nfs/dbraw/zinc/57/17/35/923571735.db2.gz CUBCPYKSXHBAEJ-MBPTXSFVSA-N 2 0 256.325 -0.181 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)[C@H]1CCCC[NH2+]C1 ZINC001549286903 923577426 /nfs/dbraw/zinc/57/74/26/923577426.db2.gz CXLSHLALWFPSCF-NWDGAFQWSA-N 2 0 255.362 -0.129 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549287426 923578738 /nfs/dbraw/zinc/57/87/38/923578738.db2.gz MHYGVXOJOZZOPJ-ZJQBRPOHSA-N 2 0 267.373 -0.062 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC001549291472 923580650 /nfs/dbraw/zinc/58/06/50/923580650.db2.gz GMVRMKKRMVGXOR-GMXVVIOVSA-N 2 0 253.346 -0.295 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001549291731 923581296 /nfs/dbraw/zinc/58/12/96/923581296.db2.gz FKJCTKXMROXBMD-SRVKXCTJSA-N 2 0 265.361 -0.329 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@H]1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC001549291476 923582188 /nfs/dbraw/zinc/58/21/88/923582188.db2.gz GMVRMKKRMVGXOR-LOWVWBTDSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2C[C@H]3CCC[C@]3(C[NH3+])C2)nn1 ZINC001549293750 923584093 /nfs/dbraw/zinc/58/40/93/923584093.db2.gz ZJNDTCLRVUIAPS-MFKMUULPSA-N 2 0 278.360 -0.562 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C[C@@H]1F)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549294250 923585085 /nfs/dbraw/zinc/58/50/85/923585085.db2.gz RIBBZWAVFFSKRK-RVMXOQNASA-N 2 0 285.363 -0.087 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001549298195 923585112 /nfs/dbraw/zinc/58/51/12/923585112.db2.gz BUGFOZBTARHTJF-QUNCOHTASA-N 2 0 276.344 -0.624 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001549299963 923587358 /nfs/dbraw/zinc/58/73/58/923587358.db2.gz SKEXHNRVNCGLOF-RUETXSTFSA-N 2 0 276.344 -0.706 20 0 CBADRP C[C@H]([NH3+])C(=O)NCc1cccc(N2CC[C@@H]([NH3+])C2)n1 ZINC001549725790 923630064 /nfs/dbraw/zinc/63/00/64/923630064.db2.gz DGAMGAHFFIDZGE-VHSXEESVSA-N 2 0 263.345 -0.418 20 0 CBADRP C[C@@H]([NH3+])C(=O)NCc1cccc(N2CC[C@H]([NH3+])C2)n1 ZINC001549725791 923630388 /nfs/dbraw/zinc/63/03/88/923630388.db2.gz DGAMGAHFFIDZGE-ZJUUUORDSA-N 2 0 263.345 -0.418 20 0 CBADRP C[NH+](C)CC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549731095 923632087 /nfs/dbraw/zinc/63/20/87/923632087.db2.gz LTRLPYCFKXNEFV-BXUZGUMPSA-N 2 0 282.388 -0.689 20 0 CBADRP CC[C@H]([NH3+])C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549728984 923632287 /nfs/dbraw/zinc/63/22/87/923632287.db2.gz WNAHJTSWDWUXDA-DMDPSCGWSA-N 2 0 282.388 -0.513 20 0 CBADRP O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC001549728927 923632313 /nfs/dbraw/zinc/63/23/13/923632313.db2.gz UYFBPYORKNGKTP-DYEKYZERSA-N 2 0 294.399 -0.641 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)Nc1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001549732916 923632402 /nfs/dbraw/zinc/63/24/02/923632402.db2.gz XCXFSBNSWAMTCL-VHSXEESVSA-N 2 0 279.344 -0.196 20 0 CBADRP [NH3+]C1(CC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001549729350 923633382 /nfs/dbraw/zinc/63/33/82/923633382.db2.gz BKGFJFZEEAHRDS-RISCZKNCSA-N 2 0 294.399 -0.369 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549730405 923633417 /nfs/dbraw/zinc/63/34/17/923633417.db2.gz DKNKDHYSBZWGPT-OSMZGAPFSA-N 2 0 296.415 -0.253 20 0 CBADRP C[C@H](C[NH3+])C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549732229 923633575 /nfs/dbraw/zinc/63/35/75/923633575.db2.gz QRQANMLGIKRZSX-SUZMYJTESA-N 2 0 282.388 -0.656 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549731758 923633855 /nfs/dbraw/zinc/63/38/55/923633855.db2.gz OWTITQJZUCCFNV-XVMOGABASA-N 2 0 296.415 -0.267 20 0 CBADRP CO[C@@H]1C[NH2+][C@H](C(=O)N2C[C@H]([NH3+])[C@@H](c3cn(C)cn3)C2)C1 ZINC001549734212 923634024 /nfs/dbraw/zinc/63/40/24/923634024.db2.gz CCFBMLVCJRHOBD-BJDJZHNGSA-N 2 0 293.371 -0.950 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH3+])C1 ZINC001549735383 923635194 /nfs/dbraw/zinc/63/51/94/923635194.db2.gz KDMDYBFPJBKUCO-FOGDFJRCSA-N 2 0 265.361 -0.344 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)C[C@@H]3CCC[NH2+]3)C[C@H]2[NH3+])c1 ZINC001549736920 923635626 /nfs/dbraw/zinc/63/56/26/923635626.db2.gz ZVNJVMMGJLUZMP-QJPTWQEYSA-N 2 0 277.372 -0.185 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549735810 923636199 /nfs/dbraw/zinc/63/61/99/923636199.db2.gz NJLYNRMPWTUGKV-GUBZILKMSA-N 2 0 251.334 -0.590 20 0 CBADRP Cn1cnc([C@H]2CN(C(=O)C[NH+](C)C)C[C@H]2[NH3+])c1 ZINC001549735150 923636749 /nfs/dbraw/zinc/63/67/49/923636749.db2.gz FDMTYKDSHODFER-VHSXEESVSA-N 2 0 251.334 -0.765 20 0 CBADRP Cn1cnc([C@H]2CN(C(=O)CC3([NH3+])CCC3)C[C@H]2[NH3+])c1 ZINC001549735718 923636596 /nfs/dbraw/zinc/63/65/96/923636596.db2.gz MPCBNQGLFKIJPY-WDEREUQCSA-N 2 0 277.372 -0.055 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C[C@@H]2[NH3+])c1 ZINC001549737454 923636618 /nfs/dbraw/zinc/63/66/18/923636618.db2.gz JFUZSVPVLLLQGC-OQEOFVATSA-N 2 0 275.356 -0.861 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)C[C@H]2[NH3+])c1 ZINC001549736893 923636685 /nfs/dbraw/zinc/63/66/85/923636685.db2.gz ZIJTXOLEURGRAW-WRWGMCAJSA-N 2 0 277.372 -0.199 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)C[C@H]([NH3+])C3CC3)C[C@H]2[NH3+])c1 ZINC001549738125 923636693 /nfs/dbraw/zinc/63/66/93/923636693.db2.gz JYBDMKKQFTWEPQ-GRYCIOLGSA-N 2 0 277.372 -0.199 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)Nc1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001549747153 923637804 /nfs/dbraw/zinc/63/78/04/923637804.db2.gz RLOKYBTVCLVTCJ-NXEZZACHSA-N 2 0 279.344 -0.196 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3[NH2+]CC3(C)C)C[C@@H]2[NH3+])c1 ZINC001549741249 923638268 /nfs/dbraw/zinc/63/82/68/923638268.db2.gz QPSLPHNLBYOBJU-SCVCMEIPSA-N 2 0 277.372 -0.329 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549741264 923638308 /nfs/dbraw/zinc/63/83/08/923638308.db2.gz YTAZWYROVNKBAA-DCAQKATOSA-N 2 0 265.361 -0.329 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH3+])C1 ZINC001549745366 923638386 /nfs/dbraw/zinc/63/83/86/923638386.db2.gz YLAUXTDCXJIBSX-UKKRHICBSA-N 2 0 265.361 -0.344 20 0 CBADRP [NH3+]C[C@@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)C1CCOCC1 ZINC001549751412 923642193 /nfs/dbraw/zinc/64/21/93/923642193.db2.gz VZNNYYOFRRDDNU-QWHCGFSZSA-N 2 0 285.388 -0.517 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3C[NH3+])CC[C@@H]21 ZINC001549883664 923644816 /nfs/dbraw/zinc/64/48/16/923644816.db2.gz VROGXJJOFUOARI-FVCCEPFGSA-N 2 0 267.373 -0.097 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001549884971 923644905 /nfs/dbraw/zinc/64/49/05/923644905.db2.gz MHCNCDYSWREZIO-FGNRJIRKSA-N 2 0 255.362 -0.003 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)CC[C@H]21 ZINC001549883207 923645124 /nfs/dbraw/zinc/64/51/24/923645124.db2.gz JWZADYYIIRYYDU-BHPKHCPMSA-N 2 0 279.384 -0.225 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]C[C@]23COCCN2C(=O)COC3)CC[NH2+]1 ZINC001549921166 923646987 /nfs/dbraw/zinc/64/69/87/923646987.db2.gz HSFCEBHBHCGYRC-YRGRVCCFSA-N 2 0 283.372 -0.656 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@]34C[C@@H]3C[C@@H]([NH3+])C4)C[C@@H]2[NH3+])cn1 ZINC001549901913 923647271 /nfs/dbraw/zinc/64/72/71/923647271.db2.gz GIQMAEZVPQPIHD-WHRXGGIHSA-N 2 0 289.383 -0.199 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]C[C@]23COCCN2C(=O)COC3)CC[NH2+]1 ZINC001549921153 923648249 /nfs/dbraw/zinc/64/82/49/923648249.db2.gz HSFCEBHBHCGYRC-MBNYWOFBSA-N 2 0 283.372 -0.656 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](C(=O)N2CC[NH2+]CCC2(C)C)O1 ZINC001549901868 923648601 /nfs/dbraw/zinc/64/86/01/923648601.db2.gz AVUJJRJRZIRTPH-MNOVXSKESA-N 2 0 255.362 -0.036 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[C@]2(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC001549901694 923649254 /nfs/dbraw/zinc/64/92/54/923649254.db2.gz OMMKUQXEZGTZAU-CXTNEJHOSA-N 2 0 278.400 -0.380 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@]34C[C@@H]3C[C@@H]([NH3+])C4)C[C@H]2[NH3+])cn1 ZINC001549901911 923649299 /nfs/dbraw/zinc/64/92/99/923649299.db2.gz GIQMAEZVPQPIHD-GGAZOKNXSA-N 2 0 289.383 -0.199 20 0 CBADRP C[C@@H](C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001549995599 923660345 /nfs/dbraw/zinc/66/03/45/923660345.db2.gz KOSKGEFQSZGCHR-QWHCGFSZSA-N 2 0 268.405 -0.215 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001550001636 923660719 /nfs/dbraw/zinc/66/07/19/923660719.db2.gz OTVFGVBKZFGQSE-AWEZNQCLSA-N 2 0 280.416 -0.070 20 0 CBADRP [NH3+][C@@H](Cc1ncccn1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001550073445 923667234 /nfs/dbraw/zinc/66/72/34/923667234.db2.gz AJMCXVBKSPLYNZ-WDEREUQCSA-N 2 0 275.356 -0.253 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001550076084 923667268 /nfs/dbraw/zinc/66/72/68/923667268.db2.gz FOHPTVCNNNYVET-CHWSQXEVSA-N 2 0 297.399 -0.184 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550084553 923668667 /nfs/dbraw/zinc/66/86/67/923668667.db2.gz FAVGPDDJIUAYHQ-WCQYABFASA-N 2 0 296.415 -0.408 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H]2CC23CC[NH2+]CC3)C[NH2+]CCO1 ZINC001550079894 923669802 /nfs/dbraw/zinc/66/98/02/923669802.db2.gz GCUCQDGPBOVYGO-WFASDCNBSA-N 2 0 297.399 -0.503 20 0 CBADRP CC(=O)N1CC[C@]([NH3+])(C(=O)NC[C@@H]2CC23CC[NH2+]CC3)C1 ZINC001550080517 923669946 /nfs/dbraw/zinc/66/99/46/923669946.db2.gz JYFDRCNPWAJKLO-SWLSCSKDSA-N 2 0 294.399 -0.558 20 0 CBADRP O=C(NC[C@@H]1CC12CC[NH2+]CC2)[C@@H]1C[NH2+]CCOC1 ZINC001550080998 923670466 /nfs/dbraw/zinc/67/04/66/923670466.db2.gz KTZYDWJWQGMSOC-NEPJUHHUSA-N 2 0 267.373 -0.272 20 0 CBADRP O=C(NC[C@H]1CC12CC[NH2+]CC2)[C@H]1C[NH2+]CCO1 ZINC001550087617 923672036 /nfs/dbraw/zinc/67/20/36/923672036.db2.gz ZICLFVAWQANLDU-GHMZBOCLSA-N 2 0 253.346 -0.519 20 0 CBADRP CC[NH2+]CC(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550088302 923672142 /nfs/dbraw/zinc/67/21/42/923672142.db2.gz LSNIAONQRMJWNE-SNVBAGLBSA-N 2 0 252.322 -0.962 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087684 923672223 /nfs/dbraw/zinc/67/22/23/923672223.db2.gz CJVYEOOCLWLDAG-ONGXEEELSA-N 2 0 266.349 -0.716 20 0 CBADRP CC(C)(C)[C@@H]([NH3+])C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087482 923672870 /nfs/dbraw/zinc/67/28/70/923672870.db2.gz VOJQEIRJVFXLHA-QWRGUYRKSA-N 2 0 280.376 -0.198 20 0 CBADRP CC(C)([NH3+])CCC(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550088305 923673147 /nfs/dbraw/zinc/67/31/47/923673147.db2.gz LWUCDBZBNSHCQF-NSHDSACASA-N 2 0 280.376 -0.054 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087163 923673240 /nfs/dbraw/zinc/67/32/40/923673240.db2.gz OQXYTHLFMMLQTM-JOYOIKCWSA-N 2 0 278.360 -0.431 20 0 CBADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1CCC[NH2+]C1 ZINC001550088368 923674828 /nfs/dbraw/zinc/67/48/28/923674828.db2.gz OHLHDBDQIRJEFC-CMPLNLGQSA-N 2 0 278.360 -0.572 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001550090888 923675501 /nfs/dbraw/zinc/67/55/01/923675501.db2.gz ZZDAIFMEMSFBFX-MCIONIFRSA-N 2 0 297.399 -0.280 20 0 CBADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@H]1CCC[NH2+]1 ZINC001550088486 923675716 /nfs/dbraw/zinc/67/57/16/923675716.db2.gz PSTKMJGTUNYMGN-WDEREUQCSA-N 2 0 264.333 -0.819 20 0 CBADRP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001550090102 923676093 /nfs/dbraw/zinc/67/60/93/923676093.db2.gz TWQFOKIFDGAKQZ-RDBSUJKOSA-N 2 0 297.399 -0.674 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001550096310 923677503 /nfs/dbraw/zinc/67/75/03/923677503.db2.gz KFUPHUPMZHNLDA-MVWJERBFSA-N 2 0 278.360 -0.492 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001550092831 923677630 /nfs/dbraw/zinc/67/76/30/923677630.db2.gz OOQWGXGSWJWKBF-JQWIXIFHSA-N 2 0 282.388 -0.608 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](n3cc(C[NH3+])nn3)C2)C1 ZINC001550095244 923678173 /nfs/dbraw/zinc/67/81/73/923678173.db2.gz HRRZWJNLPGJFDQ-DGCLKSJQSA-N 2 0 292.387 -0.148 20 0 CBADRP C[NH2+][C@@H](C)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001550093154 923678991 /nfs/dbraw/zinc/67/89/91/923678991.db2.gz YBJCBVYXLPOZAL-JQWIXIFHSA-N 2 0 282.388 -0.594 20 0 CBADRP CC[C@H]([NH3+])C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001550092481 923679725 /nfs/dbraw/zinc/67/97/25/923679725.db2.gz HAOFBHHULHOIHH-RYUDHWBXSA-N 2 0 282.388 -0.465 20 0 CBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)C(C)(C)[NH3+])CC2)C1=O ZINC001550092804 923679892 /nfs/dbraw/zinc/67/98/92/923679892.db2.gz MJHUBUCPUCMXIK-NSHDSACASA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@@H](n3cc(C[NH3+])nn3)C2)CC[NH2+]C1 ZINC001550097327 923681517 /nfs/dbraw/zinc/68/15/17/923681517.db2.gz KMWUUMXIAKKUTH-DGCLKSJQSA-N 2 0 278.360 -0.490 20 0 CBADRP CO[C@@H]1C[NH2+][C@H](C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC001550103706 923683614 /nfs/dbraw/zinc/68/36/14/923683614.db2.gz HAGXLVGWXYMOSL-VOAKCMCISA-N 2 0 267.373 -0.084 20 0 CBADRP COc1ccc([C@H]2CN(C(=O)C3(O)C[NH2+]C3)C[C@H]2[NH3+])cc1 ZINC001550103481 923684229 /nfs/dbraw/zinc/68/42/29/923684229.db2.gz BZIHRDFHLWEFCD-CHWSQXEVSA-N 2 0 291.351 -0.717 20 0 CBADRP CC(=O)N1CC[C@]([NH3+])(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001550108377 923687106 /nfs/dbraw/zinc/68/71/06/923687106.db2.gz PXVZWKUDOCHLKN-VYHDIPPYSA-N 2 0 294.399 -0.417 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])[C@@H](c2ccc(OC)cc2)C1 ZINC001550114159 923687497 /nfs/dbraw/zinc/68/74/97/923687497.db2.gz VQJIKQDVLFGXNM-MCIONIFRSA-N 2 0 293.367 -0.078 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550116716 923689356 /nfs/dbraw/zinc/68/93/56/923689356.db2.gz QXMJYFPTTJAOPC-VXGBXAGGSA-N 2 0 254.378 -0.428 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)CC3([NH3+])CC3)C2)CC1 ZINC001550117393 923689554 /nfs/dbraw/zinc/68/95/54/923689554.db2.gz ZRLTUWXMCLMBQE-GFCCVEGCSA-N 2 0 266.389 -0.284 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001550117191 923690088 /nfs/dbraw/zinc/69/00/88/923690088.db2.gz OFOXRKGBHOFVHK-SRRSOLGSSA-N 2 0 253.346 -0.249 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[C@@]34CC[NH2+]C4)C2)CC1 ZINC001550117101 923690454 /nfs/dbraw/zinc/69/04/54/923690454.db2.gz UZFLPTXNJQRROJ-IIAWOOMASA-N 2 0 292.427 -0.166 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001550117193 923691058 /nfs/dbraw/zinc/69/10/58/923691058.db2.gz OFOXRKGBHOFVHK-ZPFDUUQYSA-N 2 0 253.346 -0.249 20 0 CBADRP C[C@]12C[NH2+]C[C@@H]1CN(C(=O)c1cn([C@H]3CC[NH2+]C3)nn1)C2 ZINC001550117468 923691281 /nfs/dbraw/zinc/69/12/81/923691281.db2.gz WDBXMJYYDZIFSR-UHIISALHSA-N 2 0 290.371 -0.506 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@]3(C)C[NH2+]CCO3)C2)CC1 ZINC001550117114 923691332 /nfs/dbraw/zinc/69/13/32/923691332.db2.gz VDLHWFSRKFGUEW-UKRRQHHQSA-N 2 0 296.415 -0.787 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cn([C@@H]3CC[NH2+]C3)nn1)C2 ZINC001550117467 923691407 /nfs/dbraw/zinc/69/14/07/923691407.db2.gz WDBXMJYYDZIFSR-MISXGVKJSA-N 2 0 290.371 -0.506 20 0 CBADRP [NH3+]CC12CC(NC(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)(C1)C2 ZINC001550117947 923692306 /nfs/dbraw/zinc/69/23/06/923692306.db2.gz DCOBQCYOMAIKJU-FNBIGBAISA-N 2 0 290.371 -0.186 20 0 CBADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001550122406 923695287 /nfs/dbraw/zinc/69/52/87/923695287.db2.gz GDUALWWLFOFSFZ-RMRHIDDWSA-N 2 0 279.384 -0.083 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001550183297 923704934 /nfs/dbraw/zinc/70/49/34/923704934.db2.gz MNQXECMNPWKKNL-YNEHKIRRSA-N 2 0 285.388 -0.295 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC001550188684 923706949 /nfs/dbraw/zinc/70/69/49/923706949.db2.gz LHFHRZJAGVYSCE-CYBMUJFWSA-N 2 0 263.341 -0.078 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001550188414 923707361 /nfs/dbraw/zinc/70/73/61/923707361.db2.gz WQXYEANEWHEMLG-VXGBXAGGSA-N 2 0 292.387 -0.244 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[NH2+]CC3(C)C)C[C@@H]2[NH3+])c1 ZINC001550195021 923709836 /nfs/dbraw/zinc/70/98/36/923709836.db2.gz UBILTBPPNAZCDT-UTUOFQBUSA-N 2 0 291.399 -0.081 20 0 CBADRP [NH3+][C@@H](CC1CC1)C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550190372 923710426 /nfs/dbraw/zinc/71/04/26/923710426.db2.gz UPQMRKDGQUMFGD-NEPJUHHUSA-N 2 0 278.360 -0.444 20 0 CBADRP C[C@]12C[NH2+]C[C@@H]1CN(C(=O)NC[C@H]1C[NH2+]CCCO1)C2 ZINC001550267000 923714602 /nfs/dbraw/zinc/71/46/02/923714602.db2.gz SSICJRDWAHFOOF-YRGRVCCFSA-N 2 0 282.388 -0.384 20 0 CBADRP CN1CCN(CC(=O)N2C[C@@H]3CC[N@H+](C)C[C@H]3C2)CC1 ZINC001550320528 923716406 /nfs/dbraw/zinc/71/64/06/923716406.db2.gz HDLRAZAQIMKFTC-KBPBESRZSA-N 2 0 280.416 -0.356 20 0 CBADRP O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H]1COCC[NH2+]1 ZINC001550278496 923716712 /nfs/dbraw/zinc/71/67/12/923716712.db2.gz UQUPODKYMNHURZ-PSEXLTFBSA-N 2 0 282.388 -0.195 20 0 CBADRP [NH3+][C@@H]1COCCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001550286544 923718143 /nfs/dbraw/zinc/71/81/43/923718143.db2.gz TULAPQHRRIRLGN-FOIKRFTLSA-N 2 0 282.388 -0.114 20 0 CBADRP [NH3+][C@H]1C[C@@H]([N@@H+]2CC[C@@H](CN3CCCC3=O)C2)[C@@H](O)C1 ZINC001550437273 923731538 /nfs/dbraw/zinc/73/15/38/923731538.db2.gz VSCCWHRVVNAGJN-XQHKEYJVSA-N 2 0 267.373 -0.219 20 0 CBADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)[C@@H]2C1 ZINC001550717942 923737243 /nfs/dbraw/zinc/73/72/43/923737243.db2.gz BVSNQOLFTKLQOR-BJJPWKGXSA-N 2 0 295.383 -0.563 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001550720782 923737408 /nfs/dbraw/zinc/73/74/08/923737408.db2.gz LUCHORHLDXHKME-USZNOCQGSA-N 2 0 269.345 -1.000 20 0 CBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1C[C@H]3OCC[C@@H]3[NH2+]1)C2 ZINC001550724052 923737453 /nfs/dbraw/zinc/73/74/53/923737453.db2.gz UYXNMADKHXFTJX-LARJDALCSA-N 2 0 265.357 -0.154 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001550721755 923737993 /nfs/dbraw/zinc/73/79/93/923737993.db2.gz PHEHNJUTOJOGMT-VLJOUNFMSA-N 2 0 281.356 -0.905 20 0 CBADRP O[C@@H]1C[C@@H]2CN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC[N@@H+]2C1 ZINC001550704225 923739092 /nfs/dbraw/zinc/73/90/92/923739092.db2.gz YRCDLDJUKWCDCM-APIJFGDWSA-N 2 0 281.400 -0.494 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001550717893 923739138 /nfs/dbraw/zinc/73/91/38/923739138.db2.gz BUEXHNRQSYNOTB-MQYQWHSLSA-N 2 0 294.399 -0.988 20 0 CBADRP [NH3+]CC1(CNC(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC001550729905 923740117 /nfs/dbraw/zinc/74/01/17/923740117.db2.gz CDXCADDXHPXDSG-SNVBAGLBSA-N 2 0 256.350 -0.597 20 0 CBADRP CC1(C)CN(C(=O)NC[C@H]2C[NH2+]CCCO2)C[C@@H]1[NH3+] ZINC001550731016 923741358 /nfs/dbraw/zinc/74/13/58/923741358.db2.gz KBBDOPOSCJDBEL-MNOVXSKESA-N 2 0 270.377 -0.256 20 0 CBADRP [NH3+][C@]12CC[C@H]1CN(C(=O)NC[C@H]1C[NH2+]CCCO1)C2 ZINC001550731993 923741417 /nfs/dbraw/zinc/74/14/17/923741417.db2.gz CRAZOSBKBVHFGE-LOWVWBTDSA-N 2 0 268.361 -0.502 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001550725126 923741453 /nfs/dbraw/zinc/74/14/53/923741453.db2.gz ZSNKODSDTIKLNO-PIZYFPAZSA-N 2 0 251.330 -0.545 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)N1CCC[C@@]12CC[NH2+]C2 ZINC001550733625 923742630 /nfs/dbraw/zinc/74/26/30/923742630.db2.gz XEWBSWKLXVXPEO-OCCSQVGLSA-N 2 0 282.388 -0.098 20 0 CBADRP CN(C(=O)NCC12CC(C1)C[NH2+]2)C1(C[NH3+])CCOCC1 ZINC001550737100 923742834 /nfs/dbraw/zinc/74/28/34/923742834.db2.gz VMEORYBGVMIBNP-UHFFFAOYSA-N 2 0 282.388 -0.112 20 0 CBADRP C[C@H]1C[NH2+]C[C@H]1CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC001550736619 923743326 /nfs/dbraw/zinc/74/33/26/923743326.db2.gz RYRFIZAHBNDSHS-URAGZPLESA-N 2 0 252.362 -0.107 20 0 CBADRP CO[C@H]1C[C@H](C[NH3+])N(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC001550740865 923743414 /nfs/dbraw/zinc/74/34/14/923743414.db2.gz HSVLEDCAXJGDBY-ZUXSNHBTSA-N 2 0 268.361 -0.504 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC001550736625 923744468 /nfs/dbraw/zinc/74/44/68/923744468.db2.gz RYRFIZAHBNDSHS-YLXHPXFOSA-N 2 0 252.362 -0.107 20 0 CBADRP [NH3+][C@@H]1CCOC[C@@H]1NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001550734889 923744553 /nfs/dbraw/zinc/74/45/53/923744553.db2.gz CGAFHLICMKBVFZ-OUAUKWLOSA-N 2 0 268.361 -0.314 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550755658 923746206 /nfs/dbraw/zinc/74/62/06/923746206.db2.gz KARRSECJAXIHHQ-GHMZBOCLSA-N 2 0 270.377 -0.209 20 0 CBADRP [NH3+]C1CC(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001550752809 923747741 /nfs/dbraw/zinc/74/77/41/923747741.db2.gz AIEKWLZZNOZKAV-HTAVTVPLSA-N 2 0 282.388 -0.066 20 0 CBADRP O=C1CC[C@H]([NH2+]C[C@@H]2C[C@@H](F)CN2)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550914527 923754075 /nfs/dbraw/zinc/75/40/75/923754075.db2.gz VLDADWNKLPDPQL-UKTARXLSSA-N 3 0 298.406 -0.077 20 0 CBADRP C[C@@H]1C(=O)NCCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001551397076 923772630 /nfs/dbraw/zinc/77/26/30/923772630.db2.gz ZOCVJIZIMQUCQV-MNOVXSKESA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+]C[C@H]1CCO[C@@H]1C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001551464907 923794689 /nfs/dbraw/zinc/79/46/89/923794689.db2.gz CAQLKVZHPYNHBU-OLZOCXBDSA-N 2 0 297.399 -0.279 20 0 CBADRP [NH3+]C[C@@H]1C[C@H](C(=O)N2CC[NH2+]CCC23CCOCC3)CO1 ZINC001551461407 923795675 /nfs/dbraw/zinc/79/56/75/923795675.db2.gz LMWDXYHYHWPIQT-STQMWFEESA-N 2 0 297.399 -0.279 20 0 CBADRP O=C([C@H]1C[NH2+]CCOC1)N1CC[NH2+]CCC12CCOCC2 ZINC001551463058 923796170 /nfs/dbraw/zinc/79/61/70/923796170.db2.gz GJOOIYHWIKKGSZ-ZDUSSCGKSA-N 2 0 297.399 -0.407 20 0 CBADRP [NH3+][C@@H]1c2ccccc2C[C@@H]1NC(=O)N1CC[NH2+]C[C@@H](O)C1 ZINC001551485278 923798979 /nfs/dbraw/zinc/79/89/79/923798979.db2.gz DIYNPOZSZXZESQ-KWCYVHTRSA-N 2 0 290.367 -0.413 20 0 CBADRP [NH3+][C@@H]1CC12CC(NC(=O)N[C@H]1C[NH2+]CC13CCOCC3)C2 ZINC001551566306 923802952 /nfs/dbraw/zinc/80/29/52/923802952.db2.gz HCHFKGQXGNZMQW-OOLXCHQQSA-N 2 0 294.399 -0.066 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC2CC3(C[C@H]3[NH3+])C2)C1 ZINC001551586868 923805326 /nfs/dbraw/zinc/80/53/26/923805326.db2.gz ITIZFKMOIVAEII-KTEZZQQRSA-N 2 0 282.388 -0.114 20 0 CBADRP CN1CCN(C(=O)NC2CCC3(C[C@H]3[NH3+])CC2)[C@@H](C[NH3+])C1 ZINC001551569991 923805501 /nfs/dbraw/zinc/80/55/01/923805501.db2.gz NHOXLUMLAAFHJO-SBEAFCBVSA-N 2 0 295.431 -0.069 20 0 CBADRP [NH3+][C@@H]1CC12CC(NC(=O)N1CCN([C@H]3CC[NH2+]C3)CC1)C2 ZINC001551597903 923809571 /nfs/dbraw/zinc/80/95/71/923809571.db2.gz CJORHGQYDHJTCY-SBEAFCBVSA-N 2 0 293.415 -0.445 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CC[C@H]([NH3+])[C@H]2C)cnn1C ZINC001552085934 923826357 /nfs/dbraw/zinc/82/63/57/923826357.db2.gz CGNQELWLMNWIRT-SAXRGWBVSA-N 2 0 291.399 -0.020 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC001552088045 923828334 /nfs/dbraw/zinc/82/83/34/923828334.db2.gz QOTPDJLBDDKMQN-OUAUKWLOSA-N 2 0 278.360 -0.330 20 0 CBADRP [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552090777 923831410 /nfs/dbraw/zinc/83/14/10/923831410.db2.gz TTYFZURZTPWUAU-AXFHLTTASA-N 2 0 278.360 -0.188 20 0 CBADRP Cc1c([C@H]2C[NH2+]C[C@H]2C(=O)N(C)CC[NH3+])cnn1C ZINC001552091562 923831895 /nfs/dbraw/zinc/83/18/95/923831895.db2.gz ZQEQBVUVBLCBFS-VXGBXAGGSA-N 2 0 265.361 -0.551 20 0 CBADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N(C)CC[NH3+])cnn1C ZINC001552091559 923832432 /nfs/dbraw/zinc/83/24/32/923832432.db2.gz ZQEQBVUVBLCBFS-NEPJUHHUSA-N 2 0 265.361 -0.551 20 0 CBADRP O=C(CNC(=O)[C@H]1C[C@@H]1C1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC001552157817 923836405 /nfs/dbraw/zinc/83/64/05/923836405.db2.gz ADBQQKMTRXNORQ-OLZOCXBDSA-N 2 0 294.399 -0.830 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001552157977 923837335 /nfs/dbraw/zinc/83/73/35/923837335.db2.gz AMCNIKVOMOVQGV-GARJFASQSA-N 2 0 276.344 -0.896 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C2CC[NH2+]CC2)CCO1 ZINC001552158635 923838159 /nfs/dbraw/zinc/83/81/59/923838159.db2.gz ODPHBBASNHXBHJ-AGIUHOORSA-N 2 0 267.373 -0.192 20 0 CBADRP [NH3+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH2+]CCOC1 ZINC001552160525 923839389 /nfs/dbraw/zinc/83/93/89/923839389.db2.gz CHIFXLBVYNEMCI-HYWTVENDSA-N 2 0 267.373 -0.049 20 0 CBADRP C[NH2+]CCN(C)C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552160484 923839729 /nfs/dbraw/zinc/83/97/29/923839729.db2.gz CAZLOJDZPOOKIL-VIFPVBQESA-N 2 0 252.322 -0.896 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552160843 923839914 /nfs/dbraw/zinc/83/99/14/923839914.db2.gz IVMQCMQBYWBJPM-VHSXEESVSA-N 2 0 264.333 -0.706 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)C[C@@H]12 ZINC001552161311 923839955 /nfs/dbraw/zinc/83/99/55/923839955.db2.gz LQGCIWNMLLMCBM-DDHJBXDOSA-N 2 0 290.371 -0.378 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552161624 923840032 /nfs/dbraw/zinc/84/00/32/923840032.db2.gz OLWZNNBJRCUTQN-DTWKUNHWSA-N 2 0 252.322 -0.863 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NCC(C)(C)[NH3+])cnn1C ZINC001552161283 923840433 /nfs/dbraw/zinc/84/04/33/923840433.db2.gz LZTFMPDFWRPLPC-RYUDHWBXSA-N 2 0 279.388 -0.115 20 0 CBADRP [NH3+]C[C@@H](NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)C1CC1 ZINC001552161617 923840448 /nfs/dbraw/zinc/84/04/48/923840448.db2.gz PXKOWFOIMQWVEJ-VHSXEESVSA-N 2 0 264.333 -0.720 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC[NH2+]1 ZINC001552163175 923841523 /nfs/dbraw/zinc/84/15/23/923841523.db2.gz XHWAUGFCTWGTPL-ZJUUUORDSA-N 2 0 264.333 -0.754 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NC2CC[NH2+]CC2)cnn1C ZINC001552162532 923841595 /nfs/dbraw/zinc/84/15/95/923841595.db2.gz BDDPHPMVOOJATF-UONOGXRCSA-N 2 0 291.399 -0.100 20 0 CBADRP [NH3+]Cc1ccccc1CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC001552162684 923842211 /nfs/dbraw/zinc/84/22/11/923842211.db2.gz DWAKDHAWHZZLRQ-CYBMUJFWSA-N 2 0 263.341 -0.003 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC[NH2+]1 ZINC001552164093 923842226 /nfs/dbraw/zinc/84/22/26/923842226.db2.gz MYQISGGGLXVGRG-OUAUKWLOSA-N 2 0 278.360 -0.317 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552163833 923842403 /nfs/dbraw/zinc/84/24/03/923842403.db2.gz XMPQSRKQADCBLI-DTWKUNHWSA-N 2 0 252.322 -0.720 20 0 CBADRP [NH3+]C1CCC(NC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC001552163817 923842424 /nfs/dbraw/zinc/84/24/24/923842424.db2.gz XBGHVHGUDNCARX-ILDUYXDCSA-N 2 0 278.360 -0.188 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@H]2CC[NH2+]C2)cnn1C ZINC001552163440 923842920 /nfs/dbraw/zinc/84/29/20/923842920.db2.gz PWRLUENRAFGLAF-DRZSPHRISA-N 2 0 277.372 -0.490 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NC[C@@H](C)[NH3+])cnn1C ZINC001552163275 923842972 /nfs/dbraw/zinc/84/29/72/923842972.db2.gz CJYRLONWUIJLFX-JFUSQASVSA-N 2 0 265.361 -0.505 20 0 CBADRP O=C(NC[C@@H]1C[C@@H](F)C[NH2+]1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552164057 923843088 /nfs/dbraw/zinc/84/30/88/923843088.db2.gz MBFRNNQILITSLL-KXUCPTDWSA-N 2 0 282.323 -0.758 20 0 CBADRP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552163154 923843169 /nfs/dbraw/zinc/84/31/69/923843169.db2.gz LFJVWJNJKMNBOL-AYLPWXGPSA-N 2 0 290.371 -0.175 20 0 CBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552164199 923844810 /nfs/dbraw/zinc/84/48/10/923844810.db2.gz PYVLWPLCTKAUES-PWSUYJOCSA-N 2 0 290.371 -0.316 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001552164177 923845781 /nfs/dbraw/zinc/84/57/81/923845781.db2.gz PBPGYZSMPRXCGS-RISCZKNCSA-N 2 0 290.371 -0.362 20 0 CBADRP [NH3+]CC[C@H](NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)C(F)F ZINC001552164476 923845932 /nfs/dbraw/zinc/84/59/32/923845932.db2.gz VWNGUKAOABDCHM-YUMQZZPRSA-N 2 0 288.302 -0.475 20 0 CBADRP CC(C)[C@@H]1CN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC[NH2+]1 ZINC001552164433 923846012 /nfs/dbraw/zinc/84/60/12/923846012.db2.gz USEITGLLDXYIDA-RYUDHWBXSA-N 2 0 292.387 -0.118 20 0 CBADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552194661 923847163 /nfs/dbraw/zinc/84/71/63/923847163.db2.gz OIKPSODFHURNAF-MDZLAQPJSA-N 2 0 253.346 -0.519 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552193948 923847277 /nfs/dbraw/zinc/84/72/77/923847277.db2.gz HTXXUQSFHPTBQQ-YPMHNXCESA-N 2 0 253.346 -0.662 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552195244 923847360 /nfs/dbraw/zinc/84/73/60/923847360.db2.gz WGOVVRPZVRBAMY-OCCSQVGLSA-N 2 0 267.373 -0.320 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC001552194533 923847697 /nfs/dbraw/zinc/84/76/97/923847697.db2.gz MFQPQKTZESOHBD-STQMWFEESA-N 2 0 296.415 -0.310 20 0 CBADRP O=C(NCC[NH+]1CCCCC1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552199473 923855464 /nfs/dbraw/zinc/85/54/64/923855464.db2.gz GEGTVIDYJZQSNP-GXTWGEPZSA-N 2 0 267.373 -0.176 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1COC2)C1CC1 ZINC001552200326 923856649 /nfs/dbraw/zinc/85/66/49/923856649.db2.gz PPESIBRSYKHGDJ-BZPMIXESSA-N 2 0 267.373 -0.321 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552199741 923856765 /nfs/dbraw/zinc/85/67/65/923856765.db2.gz HVHSCWDJLLEJJZ-YRGRVCCFSA-N 2 0 267.373 -0.320 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552201110 923858078 /nfs/dbraw/zinc/85/80/78/923858078.db2.gz RKGZKOFWNKHRGY-BZPMIXESSA-N 2 0 267.373 -0.320 20 0 CBADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552200970 923858209 /nfs/dbraw/zinc/85/82/09/923858209.db2.gz IUYYYTWCIDDARZ-GZBFAFLISA-N 2 0 279.384 -0.177 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552201588 923859371 /nfs/dbraw/zinc/85/93/71/923859371.db2.gz SMXKZEBLJVXSQX-SGMGOOAPSA-N 2 0 283.372 -0.941 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552200749 923859449 /nfs/dbraw/zinc/85/94/49/923859449.db2.gz VWDBVSWILWJWDD-NTZNESFSSA-N 2 0 253.346 -0.567 20 0 CBADRP O=C(N1CC[C@@]2(C1)CCC[NH2+]C2)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552202135 923862487 /nfs/dbraw/zinc/86/24/87/923862487.db2.gz AQKXERXABNYLTK-AEGPPILISA-N 2 0 279.384 -0.176 20 0 CBADRP [NH3+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552202549 923862726 /nfs/dbraw/zinc/86/27/26/923862726.db2.gz ITMXOSQKWYAXER-ZVQQGMGZSA-N 2 0 279.384 -0.049 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)C[C@@H]21 ZINC001552202493 923863080 /nfs/dbraw/zinc/86/30/80/923863080.db2.gz HFBNBZCQTRPQJF-VVSAWPALSA-N 2 0 279.384 -0.192 20 0 CBADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552202506 923863286 /nfs/dbraw/zinc/86/32/86/923863286.db2.gz HKZAHWPXMFEJLN-XHDPSFHLSA-N 2 0 288.351 -0.098 20 0 CBADRP O=C(N1CC[C@@]2(C1)CCC[NH2+]C2)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552202136 923863614 /nfs/dbraw/zinc/86/36/14/923863614.db2.gz AQKXERXABNYLTK-SNPRPXQTSA-N 2 0 279.384 -0.176 20 0 CBADRP O=C(Nc1ccn([C@@H]2CC[NH2+]C2)n1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552203075 923863845 /nfs/dbraw/zinc/86/38/45/923863845.db2.gz VILKTWNUBGFLFU-JTNHKYCSSA-N 2 0 291.355 -0.408 20 0 CBADRP O=C([C@@H]1CCC[NH2+]CC1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC001552203594 923864863 /nfs/dbraw/zinc/86/48/63/923864863.db2.gz DSEJUBDKAJWTIV-UTUOFQBUSA-N 2 0 253.346 -0.425 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552205107 923866463 /nfs/dbraw/zinc/86/64/63/923866463.db2.gz XPUVMVYNQMODIR-WDCWCFNPSA-N 2 0 257.309 -0.961 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552205897 923867763 /nfs/dbraw/zinc/86/77/63/923867763.db2.gz SVXKQVCYUFPBKA-BZPMIXESSA-N 2 0 267.373 -0.177 20 0 CBADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1C[NH2+]CCOC1 ZINC001552215183 923869375 /nfs/dbraw/zinc/86/93/75/923869375.db2.gz DWRCJXUGEYIVQW-TZMCWYRMSA-N 2 0 297.399 -0.408 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552214990 923869467 /nfs/dbraw/zinc/86/94/67/923869467.db2.gz ACGTYLQETCGUHM-BDAKNGLRSA-N 2 0 252.322 -0.850 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCC[NH2+]CC2)n1 ZINC001552215173 923869673 /nfs/dbraw/zinc/86/96/73/923869673.db2.gz DPGKNLNLZPVPQC-VIFPVBQESA-N 2 0 279.344 -0.353 20 0 CBADRP CN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1CC[N@H+](C)C1 ZINC001552216681 923870527 /nfs/dbraw/zinc/87/05/27/923870527.db2.gz WMNKEEGSLXPIHM-GHMZBOCLSA-N 2 0 278.360 -0.411 20 0 CBADRP CN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1CC[N@H+](C)C1 ZINC001552216683 923871644 /nfs/dbraw/zinc/87/16/44/923871644.db2.gz WMNKEEGSLXPIHM-MNOVXSKESA-N 2 0 278.360 -0.411 20 0 CBADRP Cc1c(C[NH3+])c(NC(=O)[C@H]2C[NH2+]CCOC2)nn1C ZINC001552216926 923872269 /nfs/dbraw/zinc/87/22/69/923872269.db2.gz AGSVCSMYJQRBQA-VIFPVBQESA-N 2 0 267.333 -0.638 20 0 CBADRP [NH3+][C@@H]1COCCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC001552260110 923873669 /nfs/dbraw/zinc/87/36/69/923873669.db2.gz AKUFRRBHQTWPDR-TUAOUCFPSA-N 2 0 253.346 -0.297 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)C[C@H]1n1ccnn1 ZINC001552257718 923874108 /nfs/dbraw/zinc/87/41/08/923874108.db2.gz ZJACRPSLGFYUEF-MROQNXINSA-N 2 0 290.371 -0.481 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001552249722 923875241 /nfs/dbraw/zinc/87/52/41/923875241.db2.gz QBHMQHZNQXSENB-BQUFFADESA-N 2 0 292.387 -0.393 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]CC2)C[C@@H]1n1ccnn1 ZINC001552254849 923875522 /nfs/dbraw/zinc/87/55/22/923875522.db2.gz BITZWNSDBUSBBR-UTUOFQBUSA-N 2 0 278.360 -0.622 20 0 CBADRP [NH3+]CC1CCC(NC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC001552274836 923876547 /nfs/dbraw/zinc/87/65/47/923876547.db2.gz QLFJPQAEYLJISL-MOENNCHZSA-N 2 0 255.362 -0.144 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C[C@H]1C[NH3+] ZINC001552274146 923876628 /nfs/dbraw/zinc/87/66/28/923876628.db2.gz HQEQIXNVQNYDJD-MXWKQRLJSA-N 2 0 278.360 -0.521 20 0 CBADRP CCN(CC[NH3+])C(=O)[C@@H]1C[NH2+]C[C@@H]1c1cnn(C)c1C ZINC001552272207 923877091 /nfs/dbraw/zinc/87/70/91/923877091.db2.gz ZVLYKHZWNHNXLR-CHWSQXEVSA-N 2 0 279.388 -0.161 20 0 CBADRP O=C(N[C@@H]1CCCC[NH2+]CC1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552274412 923877969 /nfs/dbraw/zinc/87/79/69/923877969.db2.gz OLIPJKPINQLNTM-OUCADQQQSA-N 2 0 267.373 -0.129 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C[C@@H]1C[NH3+] ZINC001552274151 923878040 /nfs/dbraw/zinc/87/80/40/923878040.db2.gz HQEQIXNVQNYDJD-OUAUKWLOSA-N 2 0 278.360 -0.521 20 0 CBADRP O=C(N[C@@H]1CCCC[NH2+]CC1)[C@@H]1C[NH2+]CCOC1 ZINC001552274342 923878136 /nfs/dbraw/zinc/87/81/36/923878136.db2.gz MHJGCWFXZHYQGH-VXGBXAGGSA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552275755 923879198 /nfs/dbraw/zinc/87/91/98/923879198.db2.gz DFPXJWVVAKBKCO-AEJSXWLSSA-N 2 0 264.333 -0.707 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H]2CC[NH2+][C@@H]2C)cnn1C ZINC001552277275 923879284 /nfs/dbraw/zinc/87/92/84/923879284.db2.gz XUCJYUNLOVANPJ-IGJVIKARSA-N 2 0 291.399 -0.102 20 0 CBADRP N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001552282738 923879507 /nfs/dbraw/zinc/87/95/07/923879507.db2.gz NQGDHEACEAOZAI-KKOKHZNYSA-N 2 0 252.362 -0.881 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N(C)C[C@@H](C)[NH3+])cnn1C ZINC001552276440 923879547 /nfs/dbraw/zinc/87/95/47/923879547.db2.gz LRDRUVMOYKLYMD-JIMOISOXSA-N 2 0 279.388 -0.163 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC001552291746 923881872 /nfs/dbraw/zinc/88/18/72/923881872.db2.gz KMWWYUVPJBFOFM-HZSPNIEDSA-N 2 0 295.431 -0.055 20 0 CBADRP N[C@@H]1CN(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001552291926 923882358 /nfs/dbraw/zinc/88/23/58/923882358.db2.gz FAVATPUUUPHEDG-YVECIDJPSA-N 2 0 281.404 -0.602 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+]C[C@H]2F)CCCO1 ZINC001552338247 923887643 /nfs/dbraw/zinc/88/76/43/923887643.db2.gz ITWFBJWZYXSYJF-IJLUTSLNSA-N 2 0 288.367 -0.164 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1CNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001552346534 923887894 /nfs/dbraw/zinc/88/78/94/923887894.db2.gz KIWXCLBUJCUVNC-AGIUHOORSA-N 2 0 284.404 -0.009 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2[C@@H]3[NH2+]CCCC[C@@H]23)CCCO1 ZINC001552344527 923887970 /nfs/dbraw/zinc/88/79/70/923887970.db2.gz JQTQYOXWVPUTMS-FDYHWXHSSA-N 2 0 282.388 -0.114 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CCNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001552338291 923888051 /nfs/dbraw/zinc/88/80/51/923888051.db2.gz IVLXWSIZEFFEDM-AGIUHOORSA-N 2 0 284.404 -0.009 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N2CCCC[C@@H]3[C@@H]([NH3+])[C@@H]32)CCCO1 ZINC001552340811 923888826 /nfs/dbraw/zinc/88/88/26/923888826.db2.gz BZVQIFCVJVGWQN-FDYHWXHSSA-N 2 0 282.388 -0.032 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001552350285 923891136 /nfs/dbraw/zinc/89/11/36/923891136.db2.gz KQSLFIYVBNKNSM-GHMZBOCLSA-N 2 0 270.377 -0.256 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH2+]C3)CCN2C1=O ZINC001552377199 923892661 /nfs/dbraw/zinc/89/26/61/923892661.db2.gz ZBPKVWIATWNPAT-GRYCIOLGSA-N 2 0 280.372 -0.854 20 0 CBADRP Cc1c(C(=O)NCC2CC[NH2+]CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552418407 923896345 /nfs/dbraw/zinc/89/63/45/923896345.db2.gz KRSJAWRHEOTGHO-LBPRGKRZSA-N 2 0 292.387 -0.150 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC001552418296 923896677 /nfs/dbraw/zinc/89/66/77/923896677.db2.gz LGFVPFOAVOXZTP-MNOVXSKESA-N 2 0 278.360 -0.234 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@H]1CCCC[NH2+]C1 ZINC001552418654 923896821 /nfs/dbraw/zinc/89/68/21/923896821.db2.gz JLRNYZMUBVLSQS-LBPRGKRZSA-N 2 0 254.378 -0.603 20 0 CBADRP Cc1c(C(=O)N[C@](C)(C[NH3+])C2CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552420292 923899552 /nfs/dbraw/zinc/89/95/52/923899552.db2.gz AQSFOAHBIAAGET-BXUZGUMPSA-N 2 0 292.387 -0.022 20 0 CBADRP Cc1c(C(=O)N2CCC[C@H]2C[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552420435 923899746 /nfs/dbraw/zinc/89/97/46/923899746.db2.gz YRXBBWQISSANSA-QWRGUYRKSA-N 2 0 278.360 -0.316 20 0 CBADRP O=C(NC[C@@H]1C[C@@H](F)C[NH2+]1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001552430646 923902240 /nfs/dbraw/zinc/90/22/40/923902240.db2.gz TYQHCDROJNZKPX-AEJSXWLSSA-N 2 0 281.335 -0.084 20 0 CBADRP Cc1c(C(=O)N2C[C@H](F)C[C@H]2C[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552436818 923903579 /nfs/dbraw/zinc/90/35/79/923903579.db2.gz RZZPZQJRFSFKIV-MXWKQRLJSA-N 2 0 296.350 -0.368 20 0 CBADRP C[NH2+]CCN(C)C(=O)c1nnn([C@H]2CC[NH2+]C2)c1C ZINC001552436400 923903835 /nfs/dbraw/zinc/90/38/35/923903835.db2.gz JZWLINSPVCSACO-JTQLQIEISA-N 2 0 266.349 -0.588 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC001552434358 923904046 /nfs/dbraw/zinc/90/40/46/923904046.db2.gz LXVMNQRENMSUNL-LLVKDONJSA-N 2 0 292.387 -0.116 20 0 CBADRP Cc1c(C(=O)N2CC[C@H]([NH3+])[C@H]2C)nnn1[C@H]1CC[NH2+]C1 ZINC001552437285 923906311 /nfs/dbraw/zinc/90/63/11/923906311.db2.gz ADJPFGUALLQSLH-MIMYLULJSA-N 2 0 278.360 -0.317 20 0 CBADRP Cc1c(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552437599 923906378 /nfs/dbraw/zinc/90/63/78/923906378.db2.gz QJSOTOFYYGRULN-JLLWLGSASA-N 2 0 292.387 -0.009 20 0 CBADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001552438960 923906458 /nfs/dbraw/zinc/90/64/58/923906458.db2.gz WTBISGUMIGNIRK-KOLCDFICSA-N 2 0 278.360 -0.236 20 0 CBADRP Cc1c(C(=O)N[C@H](C)[C@H](C)[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552438382 923907361 /nfs/dbraw/zinc/90/73/61/923907361.db2.gz NNPLAAILUUTBLH-QXFUBDJGSA-N 2 0 266.349 -0.414 20 0 CBADRP C[NH+](C)[C@H]1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC001552437416 923908026 /nfs/dbraw/zinc/90/80/26/923908026.db2.gz XKSGISVSYZSMRE-LBPRGKRZSA-N 2 0 292.387 -0.021 20 0 CBADRP Cc1c(C(=O)N[C@]2(C)CC[NH2+]C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552439985 923908974 /nfs/dbraw/zinc/90/89/74/923908974.db2.gz JTWPONJEVBHWES-GXFFZTMASA-N 2 0 278.360 -0.397 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]C2)C[C@@H]1n1ccnn1 ZINC001552680111 923911863 /nfs/dbraw/zinc/91/18/63/923911863.db2.gz MAJNIGYBPNZGSV-UTUOFQBUSA-N 2 0 278.360 -0.622 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)c1cnc(C2CC[NH2+]CC2)[nH]1 ZINC001552685883 923913780 /nfs/dbraw/zinc/91/37/80/923913780.db2.gz RCWGCEUCGBWPAW-JTQLQIEISA-N 2 0 263.345 -0.032 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)c2cccc3c2C[NH2+]C3)C[C@@H]1n1ccnn1 ZINC001552678961 923913811 /nfs/dbraw/zinc/91/38/11/923913811.db2.gz AKIDORJUORBOMN-KGLIPLIRSA-N 2 0 298.350 -0.094 20 0 CBADRP CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C[C@H]21 ZINC001552719712 923915236 /nfs/dbraw/zinc/91/52/36/923915236.db2.gz YZNHDCBQTHMLKR-BFHYXJOUSA-N 2 0 295.383 -0.561 20 0 CBADRP CCO[C@@H]1CN(Cc2cnn3c2C[NH2+]CC3)C[C@@H]1C[NH3+] ZINC001552687422 923916242 /nfs/dbraw/zinc/91/62/42/923916242.db2.gz NOFLMTSGKWKPMH-SMDDNHRTSA-N 2 0 279.388 -0.218 20 0 CBADRP [NH3+][C@@H]1COCCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001552763560 923917052 /nfs/dbraw/zinc/91/70/52/923917052.db2.gz LFKJRSHCOPMSRV-LOWVWBTDSA-N 2 0 253.346 -0.295 20 0 CBADRP CCO[C@@H]1CN(Cc2cnn3c2C[NH2+]CC3)C[C@H]1C[NH3+] ZINC001552687084 923917822 /nfs/dbraw/zinc/91/78/22/923917822.db2.gz NOFLMTSGKWKPMH-BXUZGUMPSA-N 2 0 279.388 -0.218 20 0 CBADRP [NH3+][C@H]1CCCC[C@H]1n1cc(C(=O)NCC2C[NH2+]C2)nn1 ZINC001552694511 923918356 /nfs/dbraw/zinc/91/83/56/923918356.db2.gz WKMGRZFSERFIIC-CMPLNLGQSA-N 2 0 278.360 -0.330 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC001552842254 923921318 /nfs/dbraw/zinc/92/13/18/923921318.db2.gz FIKRWISEWMMJDE-BXUZGUMPSA-N 2 0 267.373 -0.169 20 0 CBADRP CCN(CC[NH3+])C(=O)c1nnn([C@H]2CC[NH2+]C2)c1C ZINC001552846213 923922295 /nfs/dbraw/zinc/92/22/95/923922295.db2.gz VRQQUUNDFCHIOG-JTQLQIEISA-N 2 0 266.349 -0.458 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001552849914 923922342 /nfs/dbraw/zinc/92/23/42/923922342.db2.gz UGFGKMIJSYRECF-NQBHXWOUSA-N 2 0 253.346 -0.377 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001552849840 923922977 /nfs/dbraw/zinc/92/29/77/923922977.db2.gz PHKSAACCNWZCDA-VHSXEESVSA-N 2 0 279.344 -0.795 20 0 CBADRP Cc1c(C(=O)N[C@@H]2CC[NH2+][C@H]2C)nnn1[C@@H]1CC[NH2+]C1 ZINC001552848289 923923091 /nfs/dbraw/zinc/92/30/91/923923091.db2.gz QBMZHVLRGIHOQP-JMJZKYOTSA-N 2 0 278.360 -0.399 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001552848264 923923712 /nfs/dbraw/zinc/92/37/12/923923712.db2.gz OZTFCMZZBIRGMW-QXEWZRGKSA-N 2 0 263.345 -0.033 20 0 CBADRP [NH3+]C1CC(CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC001552852053 923923903 /nfs/dbraw/zinc/92/39/03/923923903.db2.gz WTIYTGNLSRSWHC-HWOCKDDLSA-N 2 0 263.345 -0.046 20 0 CBADRP Cc1c(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552848792 923923954 /nfs/dbraw/zinc/92/39/54/923923954.db2.gz DIJQUBJZXQTGIW-ZMLRMANQSA-N 2 0 292.387 -0.212 20 0 CBADRP C[NH+]1CCC2(CCN(C(=O)N3C[C@@H](N)[C@H]([NH3+])C3)CC2)CC1 ZINC001552960571 923926931 /nfs/dbraw/zinc/92/69/31/923926931.db2.gz OTYWIRRYRBQPER-CHWSQXEVSA-N 2 0 295.431 -0.116 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001552955959 923927353 /nfs/dbraw/zinc/92/73/53/923927353.db2.gz QFIIIAXEEIMFEZ-CHWSQXEVSA-N 2 0 283.420 -0.245 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC001552973599 923931285 /nfs/dbraw/zinc/93/12/85/923931285.db2.gz RDKPTSIENXTOQC-YEKKKDRXSA-N 3 0 278.400 -0.239 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2C[C@H]3C[NH+](C)C[C@@H]3C2)C1 ZINC001552978169 923932590 /nfs/dbraw/zinc/93/25/90/923932590.db2.gz OSMGEDUEWXFXNU-CHWSQXEVSA-N 2 0 280.416 -0.500 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC001553026065 923935229 /nfs/dbraw/zinc/93/52/29/923935229.db2.gz LMTMDNYEAJJBNJ-NEPJUHHUSA-N 2 0 257.378 -0.590 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C[C@H]3CCCC[NH2+]C3)CCN2C1=O ZINC001553304956 923946246 /nfs/dbraw/zinc/94/62/46/923946246.db2.gz QHHBLJPCFDTVBN-RWMBFGLXSA-N 2 0 266.389 -0.380 20 0 CBADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001553301852 923946483 /nfs/dbraw/zinc/94/64/83/923946483.db2.gz LSDCGDZWRUUICB-XUXIUFHCSA-N 3 0 251.374 -0.094 20 0 CBADRP Cn1nc2n(c1=O)CCN(CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001553317094 923949160 /nfs/dbraw/zinc/94/91/60/923949160.db2.gz WIVBXLVQNUDSNC-YOGCLGLASA-N 2 0 277.372 -0.072 20 0 CBADRP [NH3+][C@H]1COCC[C@H]1NCc1ccc(N2CC[NH2+]CC2)o1 ZINC001553310072 923950042 /nfs/dbraw/zinc/95/00/42/923950042.db2.gz QRAICDALYUBGCE-QWHCGFSZSA-N 2 0 280.372 -0.105 20 0 CBADRP O=C(NC1CC[NH2+]CC1)[C@@]12C[NH2+]C[C@H]1COCC2 ZINC001553344144 923951174 /nfs/dbraw/zinc/95/11/74/923951174.db2.gz OQQVJMPUXXGRNH-GWCFXTLKSA-N 2 0 253.346 -0.519 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)c1cnc([C@@H]2CCC[NH2+]2)nc1 ZINC001553349841 923953088 /nfs/dbraw/zinc/95/30/88/923953088.db2.gz DLFRZXUOPZATOM-QWRGUYRKSA-N 2 0 261.329 -0.007 20 0 CBADRP C[N@@H+]1CC[C@@]2(C(=O)NCC3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553350764 923953314 /nfs/dbraw/zinc/95/33/14/923953314.db2.gz VKTFOWBHCHHUKA-UKRRQHHQSA-N 2 0 280.416 -0.357 20 0 CBADRP CN1CC[C@]2(C(=O)N3CC[C@H]([NH3+])C3)C[NH2+]C[C@@H]2C1 ZINC001553347513 923953430 /nfs/dbraw/zinc/95/34/30/923953430.db2.gz GMVSPRCFLHPEAO-MDZLAQPJSA-N 2 0 252.362 -0.913 20 0 CBADRP CN1CC[C@@]2(C(=O)N3CCC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553350050 923953566 /nfs/dbraw/zinc/95/35/66/923953566.db2.gz RNEQJJSWGYNUSA-TZMCWYRMSA-N 3 0 266.389 -0.650 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)c1cnc([C@H]2CCC[NH2+]2)nc1 ZINC001553349838 923953967 /nfs/dbraw/zinc/95/39/67/923953967.db2.gz DLFRZXUOPZATOM-GHMZBOCLSA-N 2 0 261.329 -0.007 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NC[C@H]3CCCC[NH2+]3)C[NH2+]C[C@@H]2C1 ZINC001553352006 923954069 /nfs/dbraw/zinc/95/40/69/923954069.db2.gz LWTCJUQQKIMZEY-NFAWXSAZSA-N 3 0 280.416 -0.214 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@]12C[NH2+]C[C@@H]1COCC2 ZINC001553351211 923954231 /nfs/dbraw/zinc/95/42/31/923954231.db2.gz KHDGUDRVPNCXCC-BZPMIXESSA-N 2 0 267.373 -0.272 20 0 CBADRP O=C(c1cnc([C@@H]2CCC[NH2+]2)nc1)N1CC[NH2+]CC1 ZINC001553350216 923954532 /nfs/dbraw/zinc/95/45/32/923954532.db2.gz SWSYJOKEHBPPRR-NSHDSACASA-N 2 0 261.329 -0.054 20 0 CBADRP O=C(c1cnc([C@H]2CCC[NH2+]2)nc1)N1CC[NH2+]CC1 ZINC001553350211 923954703 /nfs/dbraw/zinc/95/47/03/923954703.db2.gz SWSYJOKEHBPPRR-LLVKDONJSA-N 2 0 261.329 -0.054 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@]12C[NH2+]C[C@@H]1COCC2 ZINC001553352898 923955422 /nfs/dbraw/zinc/95/54/22/923955422.db2.gz KFYJREVISPDASD-OUCADQQQSA-N 2 0 267.373 -0.272 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)N[C@H]3CCC[NH2+]C3)C[NH2+]C[C@H]2C1 ZINC001553353675 923956461 /nfs/dbraw/zinc/95/64/61/923956461.db2.gz XTTGRRWSAUFMID-OBJOEFQTSA-N 3 0 266.389 -0.604 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@]12CC[C@@H]1C[NH2+]C2 ZINC001553355130 923956745 /nfs/dbraw/zinc/95/67/45/923956745.db2.gz SZKSKTGTHGDSDR-DGCLKSJQSA-N 2 0 252.362 -0.993 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NC[C@H]3CCC[NH2+]C3)C[NH2+]C[C@H]2C1 ZINC001553355187 923956941 /nfs/dbraw/zinc/95/69/41/923956941.db2.gz UMIBBDMDYBGQGY-YDHLFZDLSA-N 3 0 280.416 -0.357 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)N[C@H]3CC[NH2+]C3)C[NH2+]C[C@H]2C1 ZINC001553355159 923957079 /nfs/dbraw/zinc/95/70/79/923957079.db2.gz UHPYSPGMKIGAQP-GVXVVHGQSA-N 3 0 252.362 -0.994 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CN(C)CC3)CC[NH2+]1 ZINC001553353523 923957133 /nfs/dbraw/zinc/95/71/33/923957133.db2.gz GAPFUADVAKGKSG-DYEKYZERSA-N 2 0 266.389 -0.652 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@H]2C1 ZINC001553352097 923957409 /nfs/dbraw/zinc/95/74/09/923957409.db2.gz GMCKILCTWJWGES-MQYQWHSLSA-N 2 0 280.416 -0.277 20 0 CBADRP C[N@@H+]1CC[C@@]2(C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[NH2+]C[C@H]2C1 ZINC001553354465 923957632 /nfs/dbraw/zinc/95/76/32/923957632.db2.gz PSQICVDTOMMYKP-LLWQXYEOSA-N 3 0 292.427 -0.073 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCOC3)CC[NH2+]1 ZINC001553354328 923957757 /nfs/dbraw/zinc/95/77/57/923957757.db2.gz IMURZJGAHFTYSV-MDZLAQPJSA-N 2 0 253.346 -0.567 20 0 CBADRP CN1CC[C@]2(C(=O)N3CC[C@@H](C[NH3+])C3)C[NH2+]C[C@H]2C1 ZINC001553355923 923958414 /nfs/dbraw/zinc/95/84/14/923958414.db2.gz PWDZEZMZEDJWND-OBJOEFQTSA-N 2 0 266.389 -0.665 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[C@H]([NH3+])[C@@H]2C[C@@H]21 ZINC001553352885 923958633 /nfs/dbraw/zinc/95/86/33/923958633.db2.gz KFFWXRJMRCKVOX-LOWDOPEQSA-N 2 0 266.389 -0.667 20 0 CBADRP CN(C(=O)c1csc(N2CC[NH2+]CC2)n1)[C@H]1CC[NH2+]C1 ZINC001553355850 923958651 /nfs/dbraw/zinc/95/86/51/923958651.db2.gz DLOSFJXHADIIEV-JTQLQIEISA-N 2 0 295.412 -0.013 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CN(C)CC3)CCO1 ZINC001553358644 923960016 /nfs/dbraw/zinc/96/00/16/923960016.db2.gz JDWZGFPIOVSXFQ-PWNZVWSESA-N 2 0 296.415 -0.898 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2COCC3)C1 ZINC001553357033 923960198 /nfs/dbraw/zinc/96/01/98/923960198.db2.gz VBGWMXRBDCMPLR-SCRDCRAPSA-N 2 0 267.373 -0.177 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2COCC3)C1 ZINC001553357035 923960549 /nfs/dbraw/zinc/96/05/49/923960549.db2.gz VBGWMXRBDCMPLR-YRGRVCCFSA-N 2 0 267.373 -0.177 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1COCC2 ZINC001553357958 923960721 /nfs/dbraw/zinc/96/07/21/923960721.db2.gz OBRSXRKGCSWMPD-KZVDOYCCSA-N 2 0 267.373 -0.144 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)N[C@@H]3CCC[C@H]3C[NH3+])C[NH2+]C[C@@H]2C1 ZINC001553357753 923960993 /nfs/dbraw/zinc/96/09/93/923960993.db2.gz MPENAWWBHHGSBC-JLNYLFASSA-N 3 0 280.416 -0.229 20 0 CBADRP [NH3+]C[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1CCOC2)C1CC1 ZINC001553359021 923961464 /nfs/dbraw/zinc/96/14/64/923961464.db2.gz SIJFAGDGNZWQHL-GMXVVIOVSA-N 2 0 253.346 -0.534 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@@H]1COCC2 ZINC001553358366 923962126 /nfs/dbraw/zinc/96/21/26/923962126.db2.gz OBRSXRKGCSWMPD-OPDFLTKYSA-N 2 0 267.373 -0.144 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@@H]3C[C@H]([NH3+])[C@@H]3C2)[C@H](C[NH3+])C1 ZINC001553360201 923965907 /nfs/dbraw/zinc/96/59/07/923965907.db2.gz QTNHGZKORVGLNM-VEGXAWMVSA-N 2 0 266.389 -0.539 20 0 CBADRP COCCN(C)C(=O)[C@@]12C[NH2+]C[C@@H]1CN(C)CC2 ZINC001553384511 923968233 /nfs/dbraw/zinc/96/82/33/923968233.db2.gz LVWPWKSEXCUKNN-YPMHNXCESA-N 2 0 255.362 -0.368 20 0 CBADRP Cn1cc(NC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)ccc1=O ZINC001553395793 923968709 /nfs/dbraw/zinc/96/87/09/923968709.db2.gz WMYYASKKBZUYQT-ABAIWWIYSA-N 2 0 290.367 -0.135 20 0 CBADRP C[C@H](O)CCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553387498 923968911 /nfs/dbraw/zinc/96/89/11/923968911.db2.gz XICCRPANWLZLDP-LOWVWBTDSA-N 2 0 255.362 -0.585 20 0 CBADRP CCNC(=O)[C@H](C)NC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553397869 923972549 /nfs/dbraw/zinc/97/25/49/923972549.db2.gz OTZKRYSLKQWICO-WDMOLILDSA-N 2 0 282.388 -0.832 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553402866 923974026 /nfs/dbraw/zinc/97/40/26/923974026.db2.gz QYFLFBZBRCUAFO-AVGNSLFASA-N 2 0 267.373 -0.036 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553403241 923974333 /nfs/dbraw/zinc/97/43/33/923974333.db2.gz WUDZKZQQMUGWBE-NOOOWODRSA-N 2 0 253.346 -0.378 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C[C@@H]1C[NH3+] ZINC001553404022 923975168 /nfs/dbraw/zinc/97/51/68/923975168.db2.gz BAVFYFHWUZSXAL-FHUSYTEZSA-N 2 0 267.373 -0.051 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)N[C@@H]3CCC[C@@H](O)C3)C[NH2+]C[C@@H]2C1 ZINC001553403057 923975436 /nfs/dbraw/zinc/97/54/36/923975436.db2.gz YOXZYMMDCOPWTD-BHPKHCPMSA-N 2 0 281.400 -0.053 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC[C@@H]1[NH3+] ZINC001553402653 923975540 /nfs/dbraw/zinc/97/55/40/923975540.db2.gz PVJCEHOIDWQEFD-LVEVGFFFSA-N 2 0 253.346 -0.299 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC001553404609 923977635 /nfs/dbraw/zinc/97/76/35/923977635.db2.gz AWUSKIYRIQOWQR-RNJOBUHISA-N 2 0 265.357 -0.188 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553404217 923978019 /nfs/dbraw/zinc/97/80/19/923978019.db2.gz AWNKCLUYKGPHFI-LVEVGFFFSA-N 2 0 253.346 -0.108 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553407114 923979527 /nfs/dbraw/zinc/97/95/27/923979527.db2.gz GUHNONVEMYDCFU-NOOOWODRSA-N 2 0 253.346 -0.284 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1)C(F)F ZINC001553406647 923980786 /nfs/dbraw/zinc/98/07/86/923980786.db2.gz GPSDHJGZGVCXLJ-XSPKLOCKSA-N 2 0 263.288 -0.396 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC[C@H]1F ZINC001553406292 923981527 /nfs/dbraw/zinc/98/15/27/923981527.db2.gz DOMDQNZWQCCNCR-UVOCVTCTSA-N 2 0 257.309 -0.597 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CCO1 ZINC001553408990 923984016 /nfs/dbraw/zinc/98/40/16/923984016.db2.gz KLQWPIMCEBBGNJ-MROQNXINSA-N 2 0 283.372 -0.705 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CCOCC1 ZINC001553413958 923985909 /nfs/dbraw/zinc/98/59/09/923985909.db2.gz REYVSPASYQPLIO-FRRDWIJNSA-N 2 0 297.399 -0.267 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553412890 923987123 /nfs/dbraw/zinc/98/71/23/923987123.db2.gz VELZUMWHLGEDDC-SVNGYHJRSA-N 2 0 253.346 -0.238 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553412791 923987967 /nfs/dbraw/zinc/98/79/67/923987967.db2.gz OPHFLRHBZOOPJY-XEZLXBQYSA-N 2 0 265.357 -0.141 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553412883 923988145 /nfs/dbraw/zinc/98/81/45/923988145.db2.gz VELZUMWHLGEDDC-HTFCKZLJSA-N 2 0 253.346 -0.238 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553412124 923988160 /nfs/dbraw/zinc/98/81/60/923988160.db2.gz TWIQDPHNWOKRON-RDBSUJKOSA-N 2 0 296.415 -0.741 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)C[C@H]12 ZINC001553414516 923989518 /nfs/dbraw/zinc/98/95/18/923989518.db2.gz XLLAPAUFWSQASZ-ISFYIQIJSA-N 2 0 265.357 -0.299 20 0 CBADRP O=C(Nc1ccn([C@@H]2CC[NH2+]C2)n1)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553414987 923990487 /nfs/dbraw/zinc/99/04/87/923990487.db2.gz XUXRIGNRXMETIC-WISYIIOYSA-N 2 0 291.355 -0.125 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)cn1 ZINC001553421504 923992918 /nfs/dbraw/zinc/99/29/18/923992918.db2.gz JUYRISGLDPOUDZ-RWMBFGLXSA-N 2 0 293.371 -0.097 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553429957 923995337 /nfs/dbraw/zinc/99/53/37/923995337.db2.gz LLXINFLUQCOTPR-FRRDWIJNSA-N 2 0 282.388 -0.955 20 0 CBADRP C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC[N@@H+]1C ZINC001553429288 923995395 /nfs/dbraw/zinc/99/53/95/923995395.db2.gz JYVXALIUESVIDK-PZWNZHSQSA-N 2 0 253.346 -0.285 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553428161 923996169 /nfs/dbraw/zinc/99/61/69/923996169.db2.gz FYGXEIZDCNEAPE-VLEAKVRGSA-N 2 0 289.326 -0.133 20 0 CBADRP Nc1cc[nH+]c(CNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)c1 ZINC001553428438 923996987 /nfs/dbraw/zinc/99/69/87/923996987.db2.gz HYYAZPKWMNIHJJ-GRYCIOLGSA-N 2 0 262.313 -0.201 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001553446857 924001298 /nfs/dbraw/zinc/00/12/98/924001298.db2.gz DWENTGSMKVTKJY-YRGRVCCFSA-N 2 0 281.404 -0.635 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553498336 924012087 /nfs/dbraw/zinc/01/20/87/924012087.db2.gz TXRVQEFKUGCGBD-FRRDWIJNSA-N 2 0 284.404 -0.036 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553500772 924013218 /nfs/dbraw/zinc/01/32/18/924013218.db2.gz GZSACTSGUOPQSM-RVMXOQNASA-N 2 0 284.404 -0.037 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2CC[NH2+]C2)CC12CCOCC2 ZINC001553498347 924013657 /nfs/dbraw/zinc/01/36/57/924013657.db2.gz TYAAPKPCEYLUAN-VXGBXAGGSA-N 2 0 282.388 -0.255 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553497874 924014100 /nfs/dbraw/zinc/01/41/00/924014100.db2.gz QZPHSBXNEOKHJE-WDEREUQCSA-N 2 0 270.377 -0.351 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553497326 924014115 /nfs/dbraw/zinc/01/41/15/924014115.db2.gz OZPDDRCLLXJPHE-UWVGGRQHSA-N 2 0 256.350 -0.599 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC001553506311 924016006 /nfs/dbraw/zinc/01/60/06/924016006.db2.gz UVKDATSMVYKMGP-NTZNESFSSA-N 2 0 268.361 -0.584 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553503349 924016607 /nfs/dbraw/zinc/01/66/07/924016607.db2.gz PCYVUSKZXJQESK-GHMZBOCLSA-N 2 0 270.377 -0.338 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553505276 924017359 /nfs/dbraw/zinc/01/73/59/924017359.db2.gz LSSZOFBQDNUNJW-GHMZBOCLSA-N 2 0 268.361 -0.584 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553511541 924018819 /nfs/dbraw/zinc/01/88/19/924018819.db2.gz DIOYYVORIDCREX-WDEREUQCSA-N 2 0 270.377 -0.127 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553507442 924019282 /nfs/dbraw/zinc/01/92/82/924019282.db2.gz YDRFLXCGJXHAAP-GARJFASQSA-N 2 0 270.377 -0.210 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001553515218 924019858 /nfs/dbraw/zinc/01/98/58/924019858.db2.gz KCHXTZDFDOOTJO-NGDQXYMTSA-N 2 0 252.362 -0.027 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553510563 924020773 /nfs/dbraw/zinc/02/07/73/924020773.db2.gz QNVRVKACHWPFPS-XQQFMLRXSA-N 2 0 284.404 -0.165 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC001553526210 924021963 /nfs/dbraw/zinc/02/19/63/924021963.db2.gz IFYZLFZUWWKJIJ-ZFWWWQNUSA-N 2 0 295.431 -0.007 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553525216 924022698 /nfs/dbraw/zinc/02/26/98/924022698.db2.gz GRFSYVXILULVEL-UTUOFQBUSA-N 2 0 282.388 -0.338 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N[C@@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC001553530020 924025398 /nfs/dbraw/zinc/02/53/98/924025398.db2.gz QBKYAYDXXYCBAQ-SWLSCSKDSA-N 2 0 295.431 -0.149 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553529747 924025741 /nfs/dbraw/zinc/02/57/41/924025741.db2.gz NNQUKWJJESSSHB-JHJVBQTASA-N 2 0 296.415 -0.009 20 0 CBADRP [NH3+]C1(CNC(=O)N[C@@H]2C[NH2+]CC23CCOCC3)CC1 ZINC001553535667 924026517 /nfs/dbraw/zinc/02/65/17/924026517.db2.gz GDZFTHLRKVUQRY-SNVBAGLBSA-N 2 0 268.361 -0.455 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)N1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001553527090 924026704 /nfs/dbraw/zinc/02/67/04/924026704.db2.gz JHIDYDMUPNOKGV-DCQANWLSSA-N 2 0 252.362 -0.025 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)N[C@H]2C[NH2+]C[C@H]2F)CC12CCOCC2 ZINC001553548496 924027598 /nfs/dbraw/zinc/02/75/98/924027598.db2.gz YQVMQBXFYDHLBF-OUAUKWLOSA-N 2 0 286.351 -0.554 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001553545387 924028396 /nfs/dbraw/zinc/02/83/96/924028396.db2.gz SGZWYCHGUZHNQY-GUDRVLHUSA-N 2 0 256.325 -0.262 20 0 CBADRP [NH3+]C1CC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC001553559076 924032734 /nfs/dbraw/zinc/03/27/34/924032734.db2.gz UZXUOKBMCMZDSG-FIYWTHMPSA-N 2 0 282.388 -0.283 20 0 CBADRP C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001553648532 924035847 /nfs/dbraw/zinc/03/58/47/924035847.db2.gz LPWRMUNSDNHXBB-VXGBXAGGSA-N 2 0 267.373 -0.347 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[NH2+]CC2)C[C@@H]1[NH+](C)C ZINC000124718300 187150649 /nfs/dbraw/zinc/15/06/49/187150649.db2.gz IVPBLLOWFNAMES-NEPJUHHUSA-N 2 0 282.388 -0.783 20 0 CBADRP O=C(CCCC(=O)NCC[NH+]1CCC1)NCC[NH+]1CCC1 ZINC000337589022 214169584 /nfs/dbraw/zinc/16/95/84/214169584.db2.gz GODOQNBTNSUFDQ-UHFFFAOYSA-N 2 0 296.415 -0.200 20 0 CBADRP C[C@H](CNC(=O)NCC[NH+]1CCC1)C[NH+]1CCN(C)CC1 ZINC000337657068 214200192 /nfs/dbraw/zinc/20/01/92/214200192.db2.gz NXIVVKCGQWVYSQ-CQSZACIVSA-N 2 0 297.447 -0.125 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)NCC[NH+]1CCC1 ZINC000337667745 214206377 /nfs/dbraw/zinc/20/63/77/214206377.db2.gz VLIRYPFFAMEVDM-UHFFFAOYSA-N 2 0 272.393 -0.040 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000337710183 282129770 /nfs/dbraw/zinc/12/97/70/282129770.db2.gz BEOHJOMJRVQVSE-RISCZKNCSA-N 2 0 284.404 -0.165 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000337834393 214279954 /nfs/dbraw/zinc/27/99/54/214279954.db2.gz CMFKEVADWXVMSL-GHMZBOCLSA-N 2 0 268.361 -0.806 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)/C=C/C[NH+](C)C ZINC000491844736 230330674 /nfs/dbraw/zinc/33/06/74/230330674.db2.gz IWWMLLAFZIUOAH-FYJFLYSWSA-N 2 0 254.378 -0.534 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000354722121 282183294 /nfs/dbraw/zinc/18/32/94/282183294.db2.gz WTCBQUAZMPTNHY-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000126157824 187220531 /nfs/dbraw/zinc/22/05/31/187220531.db2.gz ORONOCFJMPWQLC-AWEZNQCLSA-N 2 0 296.415 -0.171 20 0 CBADRP CC[NH+]1CCC(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000126211680 187224819 /nfs/dbraw/zinc/22/48/19/187224819.db2.gz CTTNANXIILJMLO-ZDUSSCGKSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000126467710 187242597 /nfs/dbraw/zinc/24/25/97/187242597.db2.gz YEUSJNZYOABPKX-MDZLAQPJSA-N 2 0 284.404 -0.315 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000351163626 219083516 /nfs/dbraw/zinc/08/35/16/219083516.db2.gz JTLPDZBCGRFVES-IHRRRGAJSA-N 2 0 280.416 -0.180 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000351163623 219083573 /nfs/dbraw/zinc/08/35/73/219083573.db2.gz JTLPDZBCGRFVES-BFHYXJOUSA-N 2 0 280.416 -0.180 20 0 CBADRP C[NH+](C)CC(=O)N1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351388363 219094511 /nfs/dbraw/zinc/09/45/11/219094511.db2.gz QYEZDTRBEMRQPO-AWEZNQCLSA-N 2 0 298.431 -0.853 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000040808751 529770974 /nfs/dbraw/zinc/77/09/74/529770974.db2.gz GNTQRJNDLRSESO-ZDUSSCGKSA-N 2 0 268.405 -0.260 20 0 CBADRP C[NH+](C)CC(=O)N1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351388368 219095788 /nfs/dbraw/zinc/09/57/88/219095788.db2.gz QYEZDTRBEMRQPO-CQSZACIVSA-N 2 0 298.431 -0.853 20 0 CBADRP CNC(=O)C[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000351482302 219100708 /nfs/dbraw/zinc/10/07/08/219100708.db2.gz IRVJLWDCPKFTST-LBPRGKRZSA-N 2 0 256.394 -0.262 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000351515875 219111321 /nfs/dbraw/zinc/11/13/21/219111321.db2.gz DCZACLWHIQSAAY-JQWIXIFHSA-N 2 0 280.372 -0.793 20 0 CBADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351535225 219117791 /nfs/dbraw/zinc/11/77/91/219117791.db2.gz DPBKMQWNIJGLFZ-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH+]1CCC(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351539152 219118950 /nfs/dbraw/zinc/11/89/50/219118950.db2.gz SPNGMZMKLYEJBA-GFCCVEGCSA-N 2 0 282.388 -0.687 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC[NH+]1CCCCC1 ZINC000351537559 219119183 /nfs/dbraw/zinc/11/91/83/219119183.db2.gz PVXFOXMHESCNJV-GFCCVEGCSA-N 2 0 282.388 -0.543 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351541010 219120044 /nfs/dbraw/zinc/12/00/44/219120044.db2.gz PAJYJBXDJROKBG-QWHCGFSZSA-N 2 0 296.415 -0.297 20 0 CBADRP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000351545324 219120401 /nfs/dbraw/zinc/12/04/01/219120401.db2.gz WSHBHHHGCKVNER-QWHCGFSZSA-N 2 0 294.399 -0.450 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351555242 219124736 /nfs/dbraw/zinc/12/47/36/219124736.db2.gz FKUDJVZHGSJXQL-NSHDSACASA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH+](C)C(C)(C)CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351555670 219125518 /nfs/dbraw/zinc/12/55/18/219125518.db2.gz MENPNTUKYJDPTM-SNVBAGLBSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000351556826 219125533 /nfs/dbraw/zinc/12/55/33/219125533.db2.gz HNAWCGKZSBPABA-WOPDTQHZSA-N 2 0 282.388 -0.547 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351567716 219128724 /nfs/dbraw/zinc/12/87/24/219128724.db2.gz MKFJVZLTLHRFRX-GHMZBOCLSA-N 2 0 268.361 -0.935 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000423592096 290722458 /nfs/dbraw/zinc/72/24/58/290722458.db2.gz DCECCMQLHTUOQJ-LLVKDONJSA-N 2 0 270.377 -0.783 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377590901 529993364 /nfs/dbraw/zinc/99/33/64/529993364.db2.gz ZRPQOLTUADZDPK-NWDGAFQWSA-N 2 0 254.378 -0.652 20 0 CBADRP C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000367148951 530050279 /nfs/dbraw/zinc/05/02/79/530050279.db2.gz OUKQXCSPNCODNJ-CYBMUJFWSA-N 2 0 266.389 -0.413 20 0 CBADRP C[C@@H](CO)[N@@H+]1CCCN(C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000351630069 219154066 /nfs/dbraw/zinc/15/40/66/219154066.db2.gz QVCDQKZTOCZTPT-DZGCQCFKSA-N 2 0 285.432 -0.170 20 0 CBADRP C[C@@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[C@H](C)[NH3+] ZINC000377530690 295735549 /nfs/dbraw/zinc/73/55/49/295735549.db2.gz QLIBJYAZSGILOL-GRYCIOLGSA-N 2 0 254.378 -0.524 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000573684881 334957657 /nfs/dbraw/zinc/95/76/57/334957657.db2.gz PXLZZELUGDCNOT-CABZTGNLSA-N 2 0 257.334 -0.490 20 0 CBADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000351851298 219225762 /nfs/dbraw/zinc/22/57/62/219225762.db2.gz LHZJBARXDWJEAM-SGMGOOAPSA-N 2 0 296.415 -0.265 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000517938220 260321961 /nfs/dbraw/zinc/32/19/61/260321961.db2.gz BMSFDHCRJCHSKW-GHMZBOCLSA-N 2 0 269.345 -0.380 20 0 CBADRP C[C@H]1C[NH+](CCCCNC(=O)COC2C[NH2+]C2)C[C@H](C)O1 ZINC000430718665 290843999 /nfs/dbraw/zinc/84/39/99/290843999.db2.gz YACQFOBWHWDBLX-STQMWFEESA-N 2 0 299.415 -0.020 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000128918799 187399410 /nfs/dbraw/zinc/39/94/10/187399410.db2.gz PKFBETZLMUGCBG-LBPRGKRZSA-N 2 0 255.362 -0.083 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000351996817 219281736 /nfs/dbraw/zinc/28/17/36/219281736.db2.gz VRDMTKQJBPDWNT-CMPLNLGQSA-N 2 0 272.393 -0.425 20 0 CBADRP CCC(CC)(C[NH3+])NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000351994422 219282642 /nfs/dbraw/zinc/28/26/42/219282642.db2.gz MTXNSJYOMMPGSK-NSHDSACASA-N 2 0 272.393 -0.280 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000339573844 215249759 /nfs/dbraw/zinc/24/97/59/215249759.db2.gz GBASAEKTMPPZEU-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000339634259 215281549 /nfs/dbraw/zinc/28/15/49/215281549.db2.gz PRFSDLFGQGPTHQ-LLVKDONJSA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000339637231 215283323 /nfs/dbraw/zinc/28/33/23/215283323.db2.gz QOKNEODLMNBDLP-UHFFFAOYSA-N 2 0 298.431 -0.005 20 0 CBADRP COCC[N@H+](C)CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000091311805 180132618 /nfs/dbraw/zinc/13/26/18/180132618.db2.gz INKXOSMPRAJILO-NSHDSACASA-N 2 0 259.350 -0.941 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000091313341 180132647 /nfs/dbraw/zinc/13/26/47/180132647.db2.gz YFNZOAYAKFQXHZ-NWDGAFQWSA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000091313343 180132780 /nfs/dbraw/zinc/13/27/80/180132780.db2.gz YFNZOAYAKFQXHZ-NEPJUHHUSA-N 2 0 255.362 -0.083 20 0 CBADRP CC[N@H+](CCNC(=O)CNC(=O)[C@H]([NH3+])C(C)C)C(C)C ZINC000352086571 219314883 /nfs/dbraw/zinc/31/48/83/219314883.db2.gz FBQQFEGBWIALLW-CYBMUJFWSA-N 2 0 286.420 -0.068 20 0 CBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973504 282672484 /nfs/dbraw/zinc/67/24/84/282672484.db2.gz CJKWUIOLBDGFKV-RWMBFGLXSA-N 2 0 267.373 -0.204 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccon1 ZINC000130575558 282709759 /nfs/dbraw/zinc/70/97/59/282709759.db2.gz VEUPTZJPAJISJJ-UHFFFAOYSA-N 2 0 297.359 -0.435 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000573842899 334971046 /nfs/dbraw/zinc/97/10/46/334971046.db2.gz CFKJCBLCXFUZPI-CHWSQXEVSA-N 2 0 268.405 -0.262 20 0 CBADRP CC(C)[NH+]1CCC(N(C)C(=O)CNC(=O)C[NH3+])CC1 ZINC000037804657 351406925 /nfs/dbraw/zinc/40/69/25/351406925.db2.gz LSJDXCHQSGTFJI-UHFFFAOYSA-N 2 0 270.377 -0.608 20 0 CBADRP COc1ccc(C[NH+](C)C)cc1NC(=O)CNC(=O)C[NH3+] ZINC000037627860 351400710 /nfs/dbraw/zinc/40/07/10/351400710.db2.gz RZKOYMYHEJUCGM-UHFFFAOYSA-N 2 0 294.355 -0.230 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000037760046 351402160 /nfs/dbraw/zinc/40/21/60/351402160.db2.gz KRDDIXRTXKJBJT-OAHLLOKOSA-N 2 0 290.411 -0.080 20 0 CBADRP CC[NH+]1CCC(C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000044517600 351444405 /nfs/dbraw/zinc/44/44/05/351444405.db2.gz ZJJVKAWAVGKKFU-UHFFFAOYSA-N 2 0 294.399 -0.095 20 0 CBADRP [NH3+]CC1CC[NH+](CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000044513717 351444584 /nfs/dbraw/zinc/44/45/84/351444584.db2.gz ZDXMUOZPANLILP-LBPRGKRZSA-N 2 0 255.362 -0.048 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000044726690 351446617 /nfs/dbraw/zinc/44/66/17/351446617.db2.gz IYQLPXNSKBSZSV-ADEWGFFLSA-N 2 0 253.346 -0.284 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000037824330 351408701 /nfs/dbraw/zinc/40/87/01/351408701.db2.gz JGAWBJQRRBUFQJ-CQSZACIVSA-N 2 0 280.416 -0.022 20 0 CBADRP Cn1cc(C[N@H+](C)CCC(=O)N2CC[NH2+]CC2)cn1 ZINC000053299135 351526903 /nfs/dbraw/zinc/52/69/03/351526903.db2.gz NUJFEOSJJWFJHZ-UHFFFAOYSA-N 2 0 265.361 -0.326 20 0 CBADRP C[NH+](C)CCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000056523617 351548469 /nfs/dbraw/zinc/54/84/69/351548469.db2.gz DEMYQTMOHDASDI-UHFFFAOYSA-N 2 0 256.350 -0.155 20 0 CBADRP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[NH+](C2CCCC2)CC1 ZINC000052062712 351517065 /nfs/dbraw/zinc/51/70/65/351517065.db2.gz HMUWQSTWEJFREW-OLZOCXBDSA-N 2 0 267.373 -0.204 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)CNC(=O)C[NH3+])C1 ZINC000062972744 351578301 /nfs/dbraw/zinc/57/83/01/351578301.db2.gz MHPZZJLKMSANIO-JTQLQIEISA-N 2 0 256.350 -0.996 20 0 CBADRP C[NH2+]CC1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000063165788 351579312 /nfs/dbraw/zinc/57/93/12/351579312.db2.gz IXDMRSNIXWIOKY-UHFFFAOYSA-N 2 0 255.362 -0.223 20 0 CBADRP CC(C)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179643 351580575 /nfs/dbraw/zinc/58/05/75/351580575.db2.gz VVTRQUJTVTXVIF-LLVKDONJSA-N 2 0 270.377 -0.702 20 0 CBADRP CC(C)NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179642 351580674 /nfs/dbraw/zinc/58/06/74/351580674.db2.gz VVTRQUJTVTXVIF-NSHDSACASA-N 2 0 270.377 -0.702 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000068063317 351614265 /nfs/dbraw/zinc/61/42/65/351614265.db2.gz WGAXLPKUEAVPGC-UHFFFAOYSA-N 2 0 284.404 -0.439 20 0 CBADRP C[NH2+]CCC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000070189764 351637085 /nfs/dbraw/zinc/63/70/85/351637085.db2.gz BTGOZCHWWCCYQP-UHFFFAOYSA-N 2 0 268.361 -0.140 20 0 CBADRP C[N@H+](CCNC(=O)CNC(=O)C[NH3+])C1CCCC1 ZINC000071378715 351644780 /nfs/dbraw/zinc/64/47/80/351644780.db2.gz VZAVZRNZJFDYCF-UHFFFAOYSA-N 2 0 256.350 -0.948 20 0 CBADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000068807733 351621769 /nfs/dbraw/zinc/62/17/69/351621769.db2.gz ZISLPHYSBAHTAN-NWDGAFQWSA-N 2 0 256.394 -0.134 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000081292173 351704600 /nfs/dbraw/zinc/70/46/00/351704600.db2.gz JMEBNCONMPILBD-CYBMUJFWSA-N 2 0 280.416 -0.023 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000091301475 351743216 /nfs/dbraw/zinc/74/32/16/351743216.db2.gz FLWFLLXKCMAQCY-CYBMUJFWSA-N 2 0 285.388 -0.454 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000091311236 351743828 /nfs/dbraw/zinc/74/38/28/351743828.db2.gz WQWKYKUUBAFXGT-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000091311833 351743953 /nfs/dbraw/zinc/74/39/53/351743953.db2.gz HQQVVIXIJQRQFM-RYUDHWBXSA-N 2 0 255.362 -0.083 20 0 CBADRP CC(C)[NH2+]CC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000518218709 260358868 /nfs/dbraw/zinc/35/88/68/260358868.db2.gz RGLCFZCXZNLFRG-GFCCVEGCSA-N 2 0 284.404 -0.170 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000092137571 351748600 /nfs/dbraw/zinc/74/86/00/351748600.db2.gz ORVOPKSZSDOTDX-QJPTWQEYSA-N 2 0 255.362 -0.179 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000083441359 351714930 /nfs/dbraw/zinc/71/49/30/351714930.db2.gz DOLDCTFILSJMOB-SNVBAGLBSA-N 2 0 260.407 -0.912 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000111612153 351804160 /nfs/dbraw/zinc/80/41/60/351804160.db2.gz OCPTYGFZKSDLCV-BDAKNGLRSA-N 2 0 256.350 -0.110 20 0 CBADRP CCNC(=O)NC(=O)[C@H](C)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107855382 351795958 /nfs/dbraw/zinc/79/59/58/351795958.db2.gz NMWKCUYYOXDVJA-LPEHRKFASA-N 2 0 254.334 -0.628 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)O1 ZINC000094573152 351764076 /nfs/dbraw/zinc/76/40/76/351764076.db2.gz XRTGPLKHNBNGAT-RNJOBUHISA-N 2 0 283.372 -0.528 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)O1 ZINC000094573149 351764490 /nfs/dbraw/zinc/76/44/90/351764490.db2.gz XRTGPLKHNBNGAT-LPWJVIDDSA-N 2 0 283.372 -0.528 20 0 CBADRP C[N@H+](CCC(=O)NC(N)=O)C[C@H]1CCC[NH+](C)C1 ZINC000118843683 351830185 /nfs/dbraw/zinc/83/01/85/351830185.db2.gz JPDKQVQZNOGCSB-JTQLQIEISA-N 2 0 256.350 -0.155 20 0 CBADRP CC(=O)N[C@H](C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000112904031 351811119 /nfs/dbraw/zinc/81/11/19/351811119.db2.gz XKECNRMJKHUROT-LLVKDONJSA-N 2 0 272.393 -0.537 20 0 CBADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000113656063 351814943 /nfs/dbraw/zinc/81/49/43/351814943.db2.gz BJEBYEYMIRAFIK-VIFPVBQESA-N 2 0 256.350 -0.109 20 0 CBADRP C[NH+]1CCN(CCNC(=O)C2(C[NH3+])CCCC2)CC1 ZINC000123102834 187071633 /nfs/dbraw/zinc/07/16/33/187071633.db2.gz VQGRJAIDLRRIPA-UHFFFAOYSA-N 2 0 268.405 -0.131 20 0 CBADRP NC(=O)NC(=O)CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000125254236 351856761 /nfs/dbraw/zinc/85/67/61/351856761.db2.gz QPSRKXIZHAAPAM-UHFFFAOYSA-N 2 0 277.328 -0.211 20 0 CBADRP [NH3+]CC1(C(=O)NCCN2CC[NH2+]CC2)CCCC1 ZINC000125690823 351858101 /nfs/dbraw/zinc/85/81/01/351858101.db2.gz DEWABXBITUWYLM-UHFFFAOYSA-N 2 0 254.378 -0.473 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CCCNS(C)(=O)=O)CC[N@@H+]1C ZINC000121134856 351846497 /nfs/dbraw/zinc/84/64/97/351846497.db2.gz YPGJLLLGANMWEN-GHMZBOCLSA-N 2 0 263.407 -0.002 20 0 CBADRP OCCN1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000121785326 351850243 /nfs/dbraw/zinc/85/02/43/351850243.db2.gz MVNRKFTUXMZMEW-UHFFFAOYSA-N 2 0 293.371 -0.573 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1c[nH]cn1 ZINC000121950072 351851235 /nfs/dbraw/zinc/85/12/35/351851235.db2.gz RAXQHGHTOQTGBB-UHFFFAOYSA-N 2 0 289.405 -0.476 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCN(C2CC2)CC1 ZINC000129039842 351867277 /nfs/dbraw/zinc/86/72/77/351867277.db2.gz CKZQBCVNTHYWSF-LLVKDONJSA-N 2 0 253.346 -0.329 20 0 CBADRP CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000129088910 351868788 /nfs/dbraw/zinc/86/87/88/351868788.db2.gz YLGIWJNKFAVBKD-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)NCC[C@@H]1CCC[NH2+]C1 ZINC000152755484 351940075 /nfs/dbraw/zinc/94/00/75/351940075.db2.gz VJOIJVLVHIQBEQ-NWDGAFQWSA-N 2 0 255.362 -0.129 20 0 CBADRP COC1(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC[NH2+]CC1 ZINC000154014955 351944101 /nfs/dbraw/zinc/94/41/01/351944101.db2.gz ZYWLAQHKWKQVTK-GHMZBOCLSA-N 2 0 255.362 -0.036 20 0 CBADRP CNC(=O)CC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000131459814 351886540 /nfs/dbraw/zinc/88/65/40/351886540.db2.gz NVBCHHHDGHVALP-UHFFFAOYSA-N 2 0 256.394 -0.308 20 0 CBADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000131762722 351888615 /nfs/dbraw/zinc/88/86/15/351888615.db2.gz PRZOKYDPGAKIFI-UWVGGRQHSA-N 2 0 268.361 -0.014 20 0 CBADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000133631703 351901384 /nfs/dbraw/zinc/90/13/84/351901384.db2.gz ZIOYTLQMVWUTDU-VWYCJHECSA-N 2 0 268.361 -0.144 20 0 CBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[NH2+]CC2)C1(C)C ZINC000133966362 351903426 /nfs/dbraw/zinc/90/34/26/351903426.db2.gz JJLJLGWHXZVFKS-ZWNOBZJWSA-N 2 0 255.362 -0.049 20 0 CBADRP CN1CCN(C(=O)CCC2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000154530251 351946667 /nfs/dbraw/zinc/94/66/67/351946667.db2.gz SOFZXLKJGCMHPX-ZDUSSCGKSA-N 2 0 268.405 -0.133 20 0 CBADRP CC[C@H](C(N)=O)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171081858 352007497 /nfs/dbraw/zinc/00/74/97/352007497.db2.gz BABOSZNYOYUDKH-GFCCVEGCSA-N 2 0 284.404 -0.360 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NC[C@H]1CCC[NH+]1C ZINC000171202284 352009483 /nfs/dbraw/zinc/00/94/83/352009483.db2.gz ALQDHCOQMZPTRQ-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000157308805 351955477 /nfs/dbraw/zinc/95/54/77/351955477.db2.gz XLYYMNIGQORCQE-STQMWFEESA-N 2 0 268.405 -0.038 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@H]2CSCN2)CC1 ZINC000165847432 351986865 /nfs/dbraw/zinc/98/68/65/351986865.db2.gz BLSOZCAXGAQYRK-LLVKDONJSA-N 2 0 273.402 -0.124 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000166749417 351987571 /nfs/dbraw/zinc/98/75/71/351987571.db2.gz RQWIZHPXMBVTAE-STQMWFEESA-N 2 0 294.399 -0.639 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000167404715 351989727 /nfs/dbraw/zinc/98/97/27/351989727.db2.gz AWIKAEDTWUDDCG-NSHDSACASA-N 2 0 270.377 -0.654 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000167410161 351989746 /nfs/dbraw/zinc/98/97/46/351989746.db2.gz PJSSIDCAGCIGIA-NSHDSACASA-N 2 0 268.361 -0.900 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCNS(C)(=O)=O ZINC000174729912 352051329 /nfs/dbraw/zinc/05/13/29/352051329.db2.gz FUVIGDICYNDTMD-UHFFFAOYSA-N 2 0 292.449 -0.895 20 0 CBADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000178815909 352083879 /nfs/dbraw/zinc/08/38/79/352083879.db2.gz OSZVBGURYGBIQJ-UTUOFQBUSA-N 2 0 255.362 -0.084 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000178881654 352084780 /nfs/dbraw/zinc/08/47/80/352084780.db2.gz YRLLPXRHYNUMLT-QWHCGFSZSA-N 2 0 268.405 -0.262 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000178874193 352084803 /nfs/dbraw/zinc/08/48/03/352084803.db2.gz LWDUUOVQNHZRDF-CYBMUJFWSA-N 2 0 268.405 -0.260 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)C[N@@H+]1C1CC1 ZINC000178867398 352085032 /nfs/dbraw/zinc/08/50/32/352085032.db2.gz NQPLSGXMZDNHIN-UMNHJUIQSA-N 2 0 253.346 -0.284 20 0 CBADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)CC[NH3+])CC2)C1 ZINC000178885610 352085963 /nfs/dbraw/zinc/08/59/63/352085963.db2.gz ISGZYNXBIIRPDS-AWEZNQCLSA-N 2 0 298.431 -0.411 20 0 CBADRP CC(=O)NC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000178973795 352087065 /nfs/dbraw/zinc/08/70/65/352087065.db2.gz JFKQGWZFYMNPEY-CYBMUJFWSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000179855824 352092932 /nfs/dbraw/zinc/09/29/32/352092932.db2.gz LVRCUEJSRAGBGW-JSGCOSHPSA-N 2 0 299.415 -0.474 20 0 CBADRP [NH3+]C[C@H](NC(=O)[C@H]1C[NH2+]CCO1)C1CCCCC1 ZINC000187179172 352135432 /nfs/dbraw/zinc/13/54/32/352135432.db2.gz BAKKJPJNFCKHSS-NWDGAFQWSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]CCOc1ccc(NC(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000183245700 352108094 /nfs/dbraw/zinc/10/80/94/352108094.db2.gz MEKRWDUWHBMLMX-LBPRGKRZSA-N 2 0 265.313 -0.049 20 0 CBADRP [NH3+]CCN(Cc1ccccc1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000184216527 352112287 /nfs/dbraw/zinc/11/22/87/352112287.db2.gz KHZSORDWBYQKBN-CYBMUJFWSA-N 2 0 263.341 -0.038 20 0 CBADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCC[NH2+]CCOC)C1(C)C ZINC000188286380 352150842 /nfs/dbraw/zinc/15/08/42/352150842.db2.gz NPUIOIFBDMZTIS-SMDDNHRTSA-N 2 0 287.404 -0.129 20 0 CBADRP COCC[N@H+](C)CCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188750920 352158641 /nfs/dbraw/zinc/15/86/41/352158641.db2.gz SYMMFZWJRIUCTC-UHFFFAOYSA-N 2 0 281.360 -0.637 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188796336 352159626 /nfs/dbraw/zinc/15/96/26/352159626.db2.gz CLCDCLLGXXRMDH-RWMBFGLXSA-N 2 0 286.395 -0.171 20 0 CBADRP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000188787580 352159678 /nfs/dbraw/zinc/15/96/78/352159678.db2.gz ZXQKQZVBRURXPM-RWMBFGLXSA-N 2 0 285.363 -0.133 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188914124 352160911 /nfs/dbraw/zinc/16/09/11/352160911.db2.gz KZKABVCWEKYMKP-QWHCGFSZSA-N 2 0 286.395 -0.218 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000190743506 352183167 /nfs/dbraw/zinc/18/31/67/352183167.db2.gz CERSMFKJDYUPPB-JQWIXIFHSA-N 2 0 253.346 -0.282 20 0 CBADRP COCC[NH+]1CCN(CCN2CCO[C@@H](C)C2)CC1 ZINC000191422481 352188003 /nfs/dbraw/zinc/18/80/03/352188003.db2.gz YHZYDCQXAPNETK-AWEZNQCLSA-N 2 0 271.405 -0.029 20 0 CBADRP COCC[NH+]1CCN(CCN2CCO[C@H](C)C2)CC1 ZINC000191422471 352188263 /nfs/dbraw/zinc/18/82/63/352188263.db2.gz YHZYDCQXAPNETK-CQSZACIVSA-N 2 0 271.405 -0.029 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000187974068 352145003 /nfs/dbraw/zinc/14/50/03/352145003.db2.gz GHPNJAMMMLLRBR-RWMBFGLXSA-N 2 0 287.404 -0.164 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000188230653 352149351 /nfs/dbraw/zinc/14/93/51/352149351.db2.gz LIZQSAAEDQMWBF-CHWSQXEVSA-N 2 0 267.373 -0.081 20 0 CBADRP C[C@H]1C[C@@H](N(C)C(=O)[C@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000188235069 352149360 /nfs/dbraw/zinc/14/93/60/352149360.db2.gz OSZVBGURYGBIQJ-SDDRHHMPSA-N 2 0 255.362 -0.084 20 0 CBADRP C[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)C[C@@H]1N1CCOCC1 ZINC000188269570 352149688 /nfs/dbraw/zinc/14/96/88/352149688.db2.gz CCUBOSBKJIFLRB-RWMBFGLXSA-N 2 0 283.372 -0.846 20 0 CBADRP C[C@H](CNC(=O)C[C@@H]1COCC[NH2+]1)[N@H+](C)C1CC1 ZINC000219992686 352237959 /nfs/dbraw/zinc/23/79/59/352237959.db2.gz OMUNCHJUYCRJHR-GHMZBOCLSA-N 2 0 255.362 -0.036 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000193700325 352208700 /nfs/dbraw/zinc/20/87/00/352208700.db2.gz SRGDLJUCVZDVFY-CHWSQXEVSA-N 2 0 296.415 -0.025 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000227373487 352257384 /nfs/dbraw/zinc/25/73/84/352257384.db2.gz XFTWGCZRGYWHIY-QWHCGFSZSA-N 2 0 286.420 -0.652 20 0 CBADRP NC(=O)C[C@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000224967219 352246241 /nfs/dbraw/zinc/24/62/41/352246241.db2.gz YITWCIJNTTYLMD-STQMWFEESA-N 2 0 290.367 -0.420 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CCOCC2)CC[N@@H+]1C ZINC000226876904 352254818 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CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1CCC[NH2+]1 ZINC000237137895 352299580 /nfs/dbraw/zinc/29/95/80/352299580.db2.gz TVKALNYNSVJGJU-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]([NH3+])C2CC2)CC1=O ZINC000237160693 352300747 /nfs/dbraw/zinc/30/07/47/352300747.db2.gz IDWCOHFDXRMCAV-NWDGAFQWSA-N 2 0 282.388 -0.750 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000237184755 352301372 /nfs/dbraw/zinc/30/13/72/352301372.db2.gz XXQHLJJAVDTPTG-TUAOUCFPSA-N 2 0 255.362 -0.036 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237227149 352302584 /nfs/dbraw/zinc/30/25/84/352302584.db2.gz NTVGCZTXUQKSRJ-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@H]([NH3+])C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000237403499 352304088 /nfs/dbraw/zinc/30/40/88/352304088.db2.gz BUFCHZOHGNETFI-NSHDSACASA-N 2 0 277.372 -0.203 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000237499896 352306380 /nfs/dbraw/zinc/30/63/80/352306380.db2.gz 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XLXMTJNXEWVQJY-UHFFFAOYSA-N 2 0 265.361 -0.360 20 0 CBADRP COc1cc[nH+]c(N2CCN(C(=O)[C@H](C[NH3+])OC)CC2)c1 ZINC000290262492 352673919 /nfs/dbraw/zinc/67/39/19/352673919.db2.gz XQQVQOLBNWOIKH-LBPRGKRZSA-N 2 0 294.355 -0.288 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000300698103 352734369 /nfs/dbraw/zinc/73/43/69/352734369.db2.gz ULQBURJLSDKKHO-GRYCIOLGSA-N 2 0 255.362 -0.097 20 0 CBADRP COCC[N@H+](C)C[C@H](O)Cn1cc([C@H]([NH3+])C(C)C)nn1 ZINC000312676943 352775716 /nfs/dbraw/zinc/77/57/16/352775716.db2.gz CJAMOGOUJJZOJR-WCQYABFASA-N 2 0 285.392 -0.127 20 0 CBADRP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](O)C2)CC1 ZINC000304092061 352745033 /nfs/dbraw/zinc/74/50/33/352745033.db2.gz CFJKCHDYTBYUBM-RYUDHWBXSA-N 2 0 255.362 -0.394 20 0 CBADRP CC1CC[NH+](C[C@H](O)CNC(=O)C[NH2+]C2CC2)CC1 ZINC000305814384 352750564 /nfs/dbraw/zinc/75/05/64/352750564.db2.gz JJZMAHMBZVTUJP-CYBMUJFWSA-N 2 0 269.389 -0.053 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000310401122 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C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000312027708 352773352 /nfs/dbraw/zinc/77/33/52/352773352.db2.gz WSZBKRHEODPCPK-NWDGAFQWSA-N 2 0 291.417 -0.669 20 0 CBADRP CC[N@H+](CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000311997964 352773358 /nfs/dbraw/zinc/77/33/58/352773358.db2.gz PQEYYYOUSKFHIH-LBPRGKRZSA-N 2 0 291.417 -0.622 20 0 CBADRP Cn1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(=O)n(C)c1=O ZINC000314818410 352780228 /nfs/dbraw/zinc/78/02/28/352780228.db2.gz VVTUJSFLWHJCDG-TXEJJXNPSA-N 2 0 292.383 -0.485 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)C[N@@H+]1C1CC1 ZINC000331388203 352911295 /nfs/dbraw/zinc/91/12/95/352911295.db2.gz LOWDFFROQGDGNG-UTUOFQBUSA-N 2 0 294.399 -0.452 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332082507 352934858 /nfs/dbraw/zinc/93/48/58/352934858.db2.gz BABVXQONUWTHLU-RWMBFGLXSA-N 2 0 294.399 -0.463 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000331503649 352919963 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/nfs/dbraw/zinc/00/81/31/353008131.db2.gz ZCAAKFBJXUKRMH-LBPRGKRZSA-N 2 0 270.377 -0.288 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000333814279 353011994 /nfs/dbraw/zinc/01/19/94/353011994.db2.gz JXDMWVZWDXIOQT-ZDUSSCGKSA-N 2 0 281.404 -0.619 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCN1CC[NH2+]CC1 ZINC000333857890 353012516 /nfs/dbraw/zinc/01/25/16/353012516.db2.gz RJEUOUNQGHNSBZ-AWEZNQCLSA-N 2 0 297.447 -0.125 20 0 CBADRP C[C@H]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H]1C[NH3+] ZINC000333864695 353012969 /nfs/dbraw/zinc/01/29/69/353012969.db2.gz STMYDIZGPUYVSL-RNWYCLNJSA-N 2 0 252.362 -0.170 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333893508 353013733 /nfs/dbraw/zinc/01/37/33/353013733.db2.gz YPQFNTQMDHENKS-MCIONIFRSA-N 2 0 295.431 -0.327 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333949257 353014465 /nfs/dbraw/zinc/01/44/65/353014465.db2.gz XCDORWGQNQCLDR-ZIAGYGMSSA-N 2 0 295.431 -0.230 20 0 CBADRP C[N@H+](C[C@H](O)CN1CCC(OCCO)CC1)C1CC1 ZINC000336811562 353058553 /nfs/dbraw/zinc/05/85/53/353058553.db2.gz NNBBYNQEEJVWBH-ZDUSSCGKSA-N 2 0 272.389 -0.085 20 0 CBADRP C[N@H+](CCC[NH+]1CCCC1)CCC(=O)NC(N)=O ZINC000337222714 353079850 /nfs/dbraw/zinc/07/98/50/353079850.db2.gz FTOGNTBTDRJOLS-UHFFFAOYSA-N 2 0 256.350 -0.011 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000339582170 353135547 /nfs/dbraw/zinc/13/55/47/353135547.db2.gz OZIXAFDUAFEPNI-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339635219 353135676 /nfs/dbraw/zinc/13/56/76/353135676.db2.gz SJJSJGOZEUHVNV-UHFFFAOYSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H]([NH3+])CC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000340184495 353154907 /nfs/dbraw/zinc/15/49/07/353154907.db2.gz MIECAGGNDWXRKE-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H](CNC(=O)C[C@H](C)[NH3+])C[NH+]1CCN(C)CC1 ZINC000340185248 353155010 /nfs/dbraw/zinc/15/50/10/353155010.db2.gz JTDXMVVMVCYYHJ-NEPJUHHUSA-N 2 0 256.394 -0.277 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+](C)C ZINC000340953056 353193968 /nfs/dbraw/zinc/19/39/68/353193968.db2.gz JEZZSXWJHPPRLK-CHWSQXEVSA-N 2 0 270.421 -0.065 20 0 CBADRP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000340690706 353182839 /nfs/dbraw/zinc/18/28/39/353182839.db2.gz QMXPPYYIYXKUCV-ZDUSSCGKSA-N 2 0 268.405 -0.214 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C[NH+](C)C ZINC000341230067 353206208 /nfs/dbraw/zinc/20/62/08/353206208.db2.gz OZMQEJVBKGZJRN-STQMWFEESA-N 2 0 298.431 -0.290 20 0 CBADRP C[C@@H](CC(=O)N(C)C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000341277667 353207675 /nfs/dbraw/zinc/20/76/75/353207675.db2.gz MKVYHOILRVJTTN-NSHDSACASA-N 2 0 257.378 -0.101 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000342765444 353231681 /nfs/dbraw/zinc/23/16/81/353231681.db2.gz OJZPACZCIJZMMJ-TUAOUCFPSA-N 2 0 283.372 -0.038 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]([NH3+])CCC(=O)OC)C1CC1 ZINC000342767008 353231751 /nfs/dbraw/zinc/23/17/51/353231751.db2.gz ZQDVKAPTYHUQCO-LLVKDONJSA-N 2 0 271.361 -0.133 20 0 CBADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1CCC[NH2+]C1 ZINC000342761563 353231769 /nfs/dbraw/zinc/23/17/69/353231769.db2.gz XOTBDRPEGKLZDH-LBPRGKRZSA-N 2 0 269.389 -0.051 20 0 CBADRP CC[NH+]1CCN(CC(=O)NCC2([NH3+])CCC2)CC1 ZINC000342613252 353223880 /nfs/dbraw/zinc/22/38/80/353223880.db2.gz XTQWBPHONZQDKU-UHFFFAOYSA-N 2 0 254.378 -0.379 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC[NH+](C)C ZINC000342665307 353226529 /nfs/dbraw/zinc/22/65/29/353226529.db2.gz LSAVOVJGGDLSPC-NSHDSACASA-N 2 0 257.382 -0.907 20 0 CBADRP C[NH+](C)CCNC(=O)NCCCC[NH+]1CCOCC1 ZINC000342667169 353226676 /nfs/dbraw/zinc/22/66/76/353226676.db2.gz RPQDGHOVGASOIB-UHFFFAOYSA-N 2 0 272.393 -0.040 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000342689275 353228310 /nfs/dbraw/zinc/22/83/10/353228310.db2.gz DGMOZFIJHUYKEL-SECBINFHSA-N 2 0 259.350 -0.277 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCC(=O)OC)C1 ZINC000342695932 353228314 /nfs/dbraw/zinc/22/83/14/353228314.db2.gz GXMHMZMXYLDZHK-WDEREUQCSA-N 2 0 287.360 -0.896 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000342693983 353228321 /nfs/dbraw/zinc/22/83/21/353228321.db2.gz FSBZPOVVGUZNMC-RYUDHWBXSA-N 2 0 282.388 -0.558 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000342736214 353230554 /nfs/dbraw/zinc/23/05/54/353230554.db2.gz MUQJAOTXUAIZIS-VHSXEESVSA-N 2 0 259.350 -0.277 20 0 CBADRP CN(C(=O)[C@@H]1C[NH+]2CCN1CCC2)[C@@H]1CCC[N@H+](C)C1 ZINC000343557768 353278685 /nfs/dbraw/zinc/27/86/85/353278685.db2.gz ZZVRFRYRCYFXBS-KGLIPLIRSA-N 2 0 280.416 -0.071 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343260450 353262138 /nfs/dbraw/zinc/26/21/38/353262138.db2.gz JKQURACCIKHWPC-AWEZNQCLSA-N 2 0 280.416 -0.070 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000343588988 353280446 /nfs/dbraw/zinc/28/04/46/353280446.db2.gz SGFZSNABGRVCQP-ZIAGYGMSSA-N 2 0 296.415 -0.787 20 0 CBADRP COCC[C@]1(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC[NH2+]C1 ZINC000343597255 353280800 /nfs/dbraw/zinc/28/08/00/353280800.db2.gz MWPFKOLOECFPAW-GMXVVIOVSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[C@]1(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)CCC[NH2+]1 ZINC000343766644 353290158 /nfs/dbraw/zinc/29/01/58/353290158.db2.gz GHLQRIXDLJRVGA-CQSZACIVSA-N 2 0 282.388 -0.591 20 0 CBADRP C[C@@H](C(=O)NCCCN1CC[NH+](C)CC1)[C@H](C)[NH3+] ZINC000156752561 188280001 /nfs/dbraw/zinc/28/00/01/188280001.db2.gz NOZYZSMMIIIDEG-NEPJUHHUSA-N 2 0 256.394 -0.277 20 0 CBADRP C[C@H](C[NH2+][C@H](C)CC(N)=O)CN1CC[NH+](C)CC1 ZINC000346083404 353360694 /nfs/dbraw/zinc/36/06/94/353360694.db2.gz PLZMZXZXMLCFHF-VXGBXAGGSA-N 2 0 256.394 -0.277 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000252651561 137690628 /nfs/dbraw/zinc/69/06/28/137690628.db2.gz RIQXKSFLRDPSNG-AVGNSLFASA-N 2 0 268.405 -0.264 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000348990735 353443200 /nfs/dbraw/zinc/44/32/00/353443200.db2.gz FRRHORWAAUFSDQ-UHFFFAOYSA-N 2 0 284.404 -0.881 20 0 CBADRP C[C@H]1C[C@H](NC(=O)CCOC2C[NH2+]C2)CC[N@@H+]1C ZINC000348988513 353443458 /nfs/dbraw/zinc/44/34/58/353443458.db2.gz HXODRRVWEKSSTK-WDEREUQCSA-N 2 0 255.362 -0.036 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000349006152 353444593 /nfs/dbraw/zinc/44/45/93/353444593.db2.gz SYLLJGFPGPHHOG-UHFFFAOYSA-N 2 0 284.404 -0.881 20 0 CBADRP C[C@H](CNC(=O)CCOC1C[NH2+]C1)[N@H+](C)C1CC1 ZINC000349030832 353445405 /nfs/dbraw/zinc/44/54/05/353445405.db2.gz SZKZATMUJJOARM-SNVBAGLBSA-N 2 0 255.362 -0.036 20 0 CBADRP CC(C)CN(CC(N)=O)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351287998 353474835 /nfs/dbraw/zinc/47/48/35/353474835.db2.gz KSMYAPDAAMRJET-GFCCVEGCSA-N 2 0 257.378 -0.115 20 0 CBADRP C[NH+](CCOCC[N@@H+](C)C1CC(O)C1)C1CC(O)C1 ZINC000353488125 353532680 /nfs/dbraw/zinc/53/26/80/353532680.db2.gz NUDDUASSDDWHBA-UHFFFAOYSA-N 2 0 272.389 -0.087 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354665139 353576404 /nfs/dbraw/zinc/57/64/04/353576404.db2.gz DZOPFNANVODZPU-VXGBXAGGSA-N 2 0 284.404 -0.266 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354699686 353578853 /nfs/dbraw/zinc/57/88/53/353578853.db2.gz VYXURGGTMYIEDE-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000354695623 353578978 /nfs/dbraw/zinc/57/89/78/353578978.db2.gz RHGSXXBHAZCOKE-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000354706261 353579676 /nfs/dbraw/zinc/57/96/76/353579676.db2.gz KGEBKWNJQLYTEF-QWHCGFSZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000355142125 353587710 /nfs/dbraw/zinc/58/77/10/353587710.db2.gz WCDDUTZCIQSKGL-NEPJUHHUSA-N 2 0 296.415 -0.204 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCN1CC[NH+](C)CC1 ZINC000355475171 353591879 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CBADRP C[N@@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363478488 353669859 /nfs/dbraw/zinc/66/98/59/353669859.db2.gz LUKNLUZCCZPGJB-UONOGXRCSA-N 2 0 280.416 -0.025 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000364032666 353670967 /nfs/dbraw/zinc/67/09/67/353670967.db2.gz DHTYCNFKWXZPHO-KWQFWETISA-N 2 0 263.345 -0.217 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000365105207 353672648 /nfs/dbraw/zinc/67/26/48/353672648.db2.gz NKEJSYXJZBKSRJ-MGAJPHDKSA-N 2 0 267.373 -0.038 20 0 CBADRP COCC[C@@]1(C(=O)N[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000366414886 353676369 /nfs/dbraw/zinc/67/63/69/353676369.db2.gz PNEOVQUEBYTOOI-YPMHNXCESA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cccn1C1CC[NH2+]CC1 ZINC000367041194 353679741 /nfs/dbraw/zinc/67/97/41/353679741.db2.gz SHQXYPHMSXAVJZ-FZMZJTMJSA-N 2 0 292.383 -0.277 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000367386383 353681314 /nfs/dbraw/zinc/68/13/14/353681314.db2.gz SBUCFNKREUILOL-HZSPNIEDSA-N 2 0 280.416 -0.119 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000367373930 353681522 /nfs/dbraw/zinc/68/15/22/353681522.db2.gz DRQOHDDMPBEFSY-MMWGEVLESA-N 2 0 259.325 -0.349 20 0 CBADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000368124642 353684737 /nfs/dbraw/zinc/68/47/37/353684737.db2.gz IRBVGBWUPHHYMM-CHWSQXEVSA-N 2 0 268.405 -0.358 20 0 CBADRP COCC[C@]1(C(=O)NC[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000370789252 353691674 /nfs/dbraw/zinc/69/16/74/353691674.db2.gz WEMXQQAPACQJEO-DGCLKSJQSA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000371262687 353698710 /nfs/dbraw/zinc/69/87/10/353698710.db2.gz PAZZBLAVWURUKB-DGCLKSJQSA-N 2 0 272.368 -0.560 20 0 CBADRP C[N@H+](CCNC(=O)[C@H]1C[NH+]2CCN1CCC2)C1CC1 ZINC000371249783 353699349 /nfs/dbraw/zinc/69/93/49/353699349.db2.gz OHEMBHBTAFSVLK-CYBMUJFWSA-N 2 0 266.389 -0.413 20 0 CBADRP C[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2)C1CC1 ZINC000371249784 353699395 /nfs/dbraw/zinc/69/93/95/353699395.db2.gz OHEMBHBTAFSVLK-ZDUSSCGKSA-N 2 0 266.389 -0.413 20 0 CBADRP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC[NH+](CC2CC2)CC1 ZINC000372355992 353715473 /nfs/dbraw/zinc/71/54/73/353715473.db2.gz KFLSLEQERNLPFG-HNNXBMFYSA-N 2 0 292.427 -0.070 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000372505869 353717678 /nfs/dbraw/zinc/71/76/78/353717678.db2.gz NEJOWYJTWXIPQL-SGMGOOAPSA-N 2 0 267.373 -0.177 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000375421995 353760273 /nfs/dbraw/zinc/76/02/73/353760273.db2.gz ONWOMTHCKRSOHP-WOPDTQHZSA-N 2 0 255.362 -0.537 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000375833454 353768134 /nfs/dbraw/zinc/76/81/34/353768134.db2.gz ICYKSWDUGIZZHD-CHWSQXEVSA-N 2 0 268.405 -0.180 20 0 CBADRP CNS(=O)(=O)CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000375898839 353768869 /nfs/dbraw/zinc/76/88/69/353768869.db2.gz YHWOPFJODBXKKK-TUAOUCFPSA-N 2 0 275.418 -0.002 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000375956067 353769941 /nfs/dbraw/zinc/76/99/41/353769941.db2.gz ADTFVIBFAAGHIA-OLZOCXBDSA-N 2 0 298.456 -0.412 20 0 CBADRP O=C(N1CC[C@@H](N2CC[NH2+]CC2)C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000375965785 353770565 /nfs/dbraw/zinc/77/05/65/353770565.db2.gz SSDOXHWQDWEUCY-IIAWOOMASA-N 2 0 292.427 -0.118 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000377582300 353778853 /nfs/dbraw/zinc/77/88/53/353778853.db2.gz DEIVDAVYQYCRJV-ZDUSSCGKSA-N 2 0 255.362 -0.176 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000378207875 353780220 /nfs/dbraw/zinc/78/02/20/353780220.db2.gz SQEURUSZXQEPMA-KBPBESRZSA-N 2 0 280.416 -0.023 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCN(C2(C(N)=O)CCCC2)CC1 ZINC000373798753 353736571 /nfs/dbraw/zinc/73/65/71/353736571.db2.gz FRJUGCYWLXWJPL-VXGBXAGGSA-N 2 0 296.415 -0.088 20 0 CBADRP CNC(=O)NC(=O)CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374426130 353745610 /nfs/dbraw/zinc/74/56/10/353745610.db2.gz COCXBZJHSANLCZ-SDDRHHMPSA-N 2 0 298.387 -0.375 20 0 CBADRP CCO[C@@H]1C[N@H+](CCC(=O)NC(=O)NC)C[C@H]1C[NH3+] ZINC000405530503 353807949 /nfs/dbraw/zinc/80/79/49/353807949.db2.gz MLMMJNGRVXDDOC-NXEZZACHSA-N 2 0 272.349 -0.872 20 0 CBADRP CC(C)[NH+]1CCN(CCC[NH+]2C[C@H](O)[C@@H](O)C2)CC1 ZINC000407965924 353814037 /nfs/dbraw/zinc/81/40/37/353814037.db2.gz LNVVCOYSUOWNHE-KBPBESRZSA-N 2 0 271.405 -0.560 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN(C)C[C@H]1CCC[NH+]1C ZINC000388891486 353790255 /nfs/dbraw/zinc/79/02/55/353790255.db2.gz FWFWMVPSIDCIQY-KGLIPLIRSA-N 2 0 273.421 -0.049 20 0 CBADRP COC[C@]1(C(=O)NCC[N@H+]2CC=CCC2)CC[NH2+]C1 ZINC000392965140 353792830 /nfs/dbraw/zinc/79/28/30/353792830.db2.gz RMHSGTHOCJEUNY-AWEZNQCLSA-N 2 0 267.373 -0.009 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000410993825 353939454 /nfs/dbraw/zinc/93/94/54/353939454.db2.gz ZEHJRRRHHTUVLX-QWHCGFSZSA-N 2 0 296.415 -0.441 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000410993826 353939633 /nfs/dbraw/zinc/93/96/33/353939633.db2.gz ZEHJRRRHHTUVLX-STQMWFEESA-N 2 0 296.415 -0.441 20 0 CBADRP COCC(COC)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000412436800 353947241 /nfs/dbraw/zinc/94/72/41/353947241.db2.gz PKTNXWIYIDIYJS-AWEZNQCLSA-N 2 0 299.415 -0.114 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)C[NH3+])C1 ZINC000416873441 353973833 /nfs/dbraw/zinc/97/38/33/353973833.db2.gz RQJAFCACVOQUMI-VXGBXAGGSA-N 2 0 272.393 -0.010 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)NCC[N@H+](C)CCOC ZINC000417437398 353977332 /nfs/dbraw/zinc/97/73/32/353977332.db2.gz HFSTUINYHKTXOK-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)NCC[N@H+](C)CCOC ZINC000417443366 353977923 /nfs/dbraw/zinc/97/79/23/353977923.db2.gz YAUNYTXDVUQOGQ-LLVKDONJSA-N 2 0 260.382 -0.138 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)NCC[N@H+](C)CCOC)C1 ZINC000417442504 353978042 /nfs/dbraw/zinc/97/80/42/353978042.db2.gz UVTYUNDVVGJTCS-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000417612923 353980753 /nfs/dbraw/zinc/98/07/53/353980753.db2.gz RULIHWQWHJOWEE-ZDUSSCGKSA-N 2 0 285.436 -0.079 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)N(CC[NH3+])CCO ZINC000417616333 353980901 /nfs/dbraw/zinc/98/09/01/353980901.db2.gz YQTOKFGSAXKISK-UHFFFAOYSA-N 2 0 260.382 -0.319 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000417715910 353982031 /nfs/dbraw/zinc/98/20/31/353982031.db2.gz TWYJNSPOWSIAJT-NWDGAFQWSA-N 2 0 270.377 -0.256 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000417708046 353982292 /nfs/dbraw/zinc/98/22/92/353982292.db2.gz OABWALLSQQSSGL-RYUDHWBXSA-N 2 0 272.393 -0.138 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)NCC[N@H+](C)CCCOC)C1 ZINC000417741317 353983001 /nfs/dbraw/zinc/98/30/01/353983001.db2.gz ADBRFQRGZXGBHK-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)N1CC[NH2+]CC1 ZINC000417754914 353983114 /nfs/dbraw/zinc/98/31/14/353983114.db2.gz QHTRIKICLSQAJR-UHFFFAOYSA-N 2 0 258.366 -0.431 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417756111 353983229 /nfs/dbraw/zinc/98/32/29/353983229.db2.gz RRTPJHFQSAAGCY-LBPRGKRZSA-N 2 0 272.393 -0.009 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418433211 353998092 /nfs/dbraw/zinc/99/80/92/353998092.db2.gz CIKSDKCOISHTGA-JTQLQIEISA-N 2 0 258.366 -0.209 20 0 CBADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000417841851 353984628 /nfs/dbraw/zinc/98/46/28/353984628.db2.gz PGHOVNXSRSHAFS-MDZLAQPJSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000417841847 353984942 /nfs/dbraw/zinc/98/49/42/353984942.db2.gz PGHOVNXSRSHAFS-GVXVVHGQSA-N 2 0 255.362 -0.001 20 0 CBADRP CC[NH+](CC)CCOCCNC(=O)N(C)CC[NH3+] ZINC000418023951 353986297 /nfs/dbraw/zinc/98/62/97/353986297.db2.gz SPSQMENUDSKOPN-UHFFFAOYSA-N 2 0 260.382 -0.055 20 0 CBADRP C[C@H]1[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)CCC[N@@H+]1C ZINC000418004227 353986700 /nfs/dbraw/zinc/98/67/00/353986700.db2.gz NXXKFBZJTCJNET-NWDGAFQWSA-N 2 0 282.388 -0.147 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000418211959 353988378 /nfs/dbraw/zinc/98/83/78/353988378.db2.gz LDSUJZLPHVXWPK-CMPLNLGQSA-N 2 0 270.377 -0.256 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000418211966 353988538 /nfs/dbraw/zinc/98/85/38/353988538.db2.gz LDSUJZLPHVXWPK-PWSUYJOCSA-N 2 0 270.377 -0.256 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000418286111 353990068 /nfs/dbraw/zinc/99/00/68/353990068.db2.gz GXMUGSNBEGFCAW-GFCCVEGCSA-N 2 0 271.409 -0.436 20 0 CBADRP C[NH2+]CCCNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000418279150 353990493 /nfs/dbraw/zinc/99/04/93/353990493.db2.gz OIOANZOTWSVTLL-RYUDHWBXSA-N 2 0 272.393 -0.308 20 0 CBADRP CC1(C)CN(C(=O)NCCCN2CC[NH2+]CC2)CC[NH2+]1 ZINC000418292003 353990947 /nfs/dbraw/zinc/99/09/47/353990947.db2.gz WZKMXLMWYFKRKS-UHFFFAOYSA-N 2 0 283.420 -0.325 20 0 CBADRP [NH3+][C@@H](CNC(=O)NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000418294987 353991399 /nfs/dbraw/zinc/99/13/99/353991399.db2.gz HXMQJVYNDLKWBP-AWEZNQCLSA-N 2 0 291.399 -0.109 20 0 CBADRP [NH3+][C@H](CNC(=O)NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000418294989 353991414 /nfs/dbraw/zinc/99/14/14/353991414.db2.gz HXMQJVYNDLKWBP-CQSZACIVSA-N 2 0 291.399 -0.109 20 0 CBADRP C[NH2+]CCCNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000418309811 353992647 /nfs/dbraw/zinc/99/26/47/353992647.db2.gz OBDIFKFCGZDMMZ-ZDUSSCGKSA-N 2 0 286.420 -0.012 20 0 CBADRP CC[NH2+]CCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418320209 353992785 /nfs/dbraw/zinc/99/27/85/353992785.db2.gz UCPHPRUUBZRPJE-MRVPVSSYSA-N 2 0 250.293 -0.108 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NC[C@H](C)C[NH2+]C ZINC000418351907 353993752 /nfs/dbraw/zinc/99/37/52/353993752.db2.gz BPCGQYQIEJCJBO-LLVKDONJSA-N 2 0 260.382 -0.545 20 0 CBADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)N[C@H]1CCC[NH2+]C1 ZINC000418375631 353994611 /nfs/dbraw/zinc/99/46/11/353994611.db2.gz FAKVZIGYDUETQM-QWHCGFSZSA-N 2 0 284.404 -0.116 20 0 CBADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)NC[C@@H]1CCC[NH2+]1 ZINC000418361135 353995184 /nfs/dbraw/zinc/99/51/84/353995184.db2.gz GSYFTMBIIBOQQC-QWHCGFSZSA-N 2 0 284.404 -0.116 20 0 CBADRP [NH3+]CCN(CCO)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418382003 353995890 /nfs/dbraw/zinc/99/58/90/353995890.db2.gz MIZWEUBLUIEIDI-LBPRGKRZSA-N 2 0 272.393 -0.143 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000418424173 353996499 /nfs/dbraw/zinc/99/64/99/353996499.db2.gz GMVDICQPUOXXAU-YPMHNXCESA-N 2 0 272.393 -0.274 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418506568 354000019 /nfs/dbraw/zinc/00/00/19/354000019.db2.gz ITEWCVSADWLATR-GHMZBOCLSA-N 2 0 258.366 -0.480 20 0 CBADRP COCC[NH2+]CCNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000418514764 354000794 /nfs/dbraw/zinc/00/07/94/354000794.db2.gz XNOZFQFDJIYQBI-QWRGUYRKSA-N 2 0 258.366 -0.386 20 0 CBADRP C[C@H](C[NH3+])NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000418516921 354001055 /nfs/dbraw/zinc/00/10/55/354001055.db2.gz UHVNKYJANINNIV-GFCCVEGCSA-N 2 0 299.419 -0.375 20 0 CBADRP COCC[NH2+]CCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000418512674 354001320 /nfs/dbraw/zinc/00/13/20/354001320.db2.gz UGYHIBUXGKVSCV-XQQFMLRXSA-N 2 0 284.404 -0.009 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NCCC[NH2+]C2CC2)CCC1 ZINC000419247589 354041973 /nfs/dbraw/zinc/04/19/73/354041973.db2.gz XJIRJMUOPLVYJG-UHFFFAOYSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418533640 354002268 /nfs/dbraw/zinc/00/22/68/354002268.db2.gz DOMMZPJIPMPISC-AWEZNQCLSA-N 2 0 286.420 -0.011 20 0 CBADRP [NH3+]C[C@H](NC(=O)N1CCO[C@@H](C[NH3+])C1)C1CCCC1 ZINC000418596750 354003006 /nfs/dbraw/zinc/00/30/06/354003006.db2.gz PBMXIPQPPKCWKI-RYUDHWBXSA-N 2 0 270.377 -0.127 20 0 CBADRP CN(C(=O)NC[C@H]1[NH2+]CCCC1(C)C)[C@H]1C[NH2+]C[C@@H]1O ZINC000418640435 354003823 /nfs/dbraw/zinc/00/38/23/354003823.db2.gz MSBILXPPRCBELM-SDDRHHMPSA-N 2 0 284.404 -0.261 20 0 CBADRP COC[C@]1(CNC(=O)N(C)CC[NH+](C)C)CCC[NH2+]1 ZINC000418653237 354005234 /nfs/dbraw/zinc/00/52/34/354005234.db2.gz KGNNSQSJPPJGTD-CYBMUJFWSA-N 2 0 272.393 -0.042 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000418739090 354005769 /nfs/dbraw/zinc/00/57/69/354005769.db2.gz YCUTZOVGXPGMCQ-TUAOUCFPSA-N 2 0 272.393 -0.180 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000418734390 354005882 /nfs/dbraw/zinc/00/58/82/354005882.db2.gz RYVUTCLEKYWUCU-NWDGAFQWSA-N 2 0 272.393 -0.130 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000418732226 354006020 /nfs/dbraw/zinc/00/60/20/354006020.db2.gz QNMVVBPTVSQDLR-NEPJUHHUSA-N 2 0 272.393 -0.130 20 0 CBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418751390 354007162 /nfs/dbraw/zinc/00/71/62/354007162.db2.gz AJIHOWAQAANDGU-CHWSQXEVSA-N 2 0 285.436 -0.095 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418781566 354008790 /nfs/dbraw/zinc/00/87/90/354008790.db2.gz CRPFISFTUZMPBD-BFHYXJOUSA-N 2 0 298.431 -0.012 20 0 CBADRP CC(C)C[NH+]1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000418776046 354009119 /nfs/dbraw/zinc/00/91/19/354009119.db2.gz WYKLXNZRXSMMRU-CYBMUJFWSA-N 2 0 284.404 -0.042 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418828511 354010586 /nfs/dbraw/zinc/01/05/86/354010586.db2.gz FRUSIBPXPXKWMK-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NCCC[NH3+])CCCC1 ZINC000418824692 354010857 /nfs/dbraw/zinc/01/08/57/354010857.db2.gz AUXGQJPYRQBWOQ-UHFFFAOYSA-N 2 0 270.377 -0.558 20 0 CBADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC[NH3+] ZINC000418881549 354014286 /nfs/dbraw/zinc/01/42/86/354014286.db2.gz XMMAABRGRVPNRF-CYBMUJFWSA-N 2 0 292.383 -0.650 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000418943932 354016266 /nfs/dbraw/zinc/01/62/66/354016266.db2.gz CISKPIMCISBIKW-FVCCEPFGSA-N 2 0 296.415 -0.206 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@@H](C)[NH2+]1 ZINC000418958555 354017768 /nfs/dbraw/zinc/01/77/68/354017768.db2.gz GOFXENTYPJTYEU-FDYHWXHSSA-N 2 0 296.415 -0.206 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC[N@@H+]1C ZINC000418972170 354018225 /nfs/dbraw/zinc/01/82/25/354018225.db2.gz YHAUDGGSHAXLCI-NWDGAFQWSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000419020834 354023986 /nfs/dbraw/zinc/02/39/86/354023986.db2.gz GETPWUUZGUZQNH-JHJVBQTASA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419018920 354023994 /nfs/dbraw/zinc/02/39/94/354023994.db2.gz CVUSIUXPAPZSSG-RNJOBUHISA-N 2 0 298.431 -0.068 20 0 CBADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCC[NH3+])C1 ZINC000419027967 354025069 /nfs/dbraw/zinc/02/50/69/354025069.db2.gz PLEBCMREQYVFOU-VXGBXAGGSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419026312 354025302 /nfs/dbraw/zinc/02/53/02/354025302.db2.gz NKSVOAXCQLZYFJ-JHJVBQTASA-N 2 0 298.431 -0.114 20 0 CBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419080736 354027240 /nfs/dbraw/zinc/02/72/40/354027240.db2.gz QFMCJNRPRWOAQE-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000419121660 354029428 /nfs/dbraw/zinc/02/94/28/354029428.db2.gz SDZZPWLIDJDIBN-UHFFFAOYSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NCC[NH3+] ZINC000419120395 354029493 /nfs/dbraw/zinc/02/94/93/354029493.db2.gz KUIWVQFAVSKJJJ-LLVKDONJSA-N 2 0 270.377 -0.558 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000419131985 354030512 /nfs/dbraw/zinc/03/05/12/354030512.db2.gz FFVKRNKNOLTKGQ-RWMBFGLXSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419133414 354030562 /nfs/dbraw/zinc/03/05/62/354030562.db2.gz GSBMXLHOUIFQKG-UPJWGTAASA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000419131983 354030692 /nfs/dbraw/zinc/03/06/92/354030692.db2.gz FFVKRNKNOLTKGQ-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419141437 354031207 /nfs/dbraw/zinc/03/12/07/354031207.db2.gz VGFNUIDEWIFPSR-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])[NH+]1CCC(C)CC1 ZINC000419144584 354031292 /nfs/dbraw/zinc/03/12/92/354031292.db2.gz FVCUFBFHFUATRJ-QWHCGFSZSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000419144580 354031781 /nfs/dbraw/zinc/03/17/81/354031781.db2.gz FVCUFBFHFUATRJ-CHWSQXEVSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419144899 354031790 /nfs/dbraw/zinc/03/17/90/354031790.db2.gz GYUZDGGIXMZGAO-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419148227 354032491 /nfs/dbraw/zinc/03/24/91/354032491.db2.gz JZOXPGXEGSWGRL-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000419146312 354032688 /nfs/dbraw/zinc/03/26/88/354032688.db2.gz ZBTXOGNXQUHENA-YNEHKIRRSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCC[NH3+])[NH+]1CCC(C)CC1 ZINC000419160997 354033894 /nfs/dbraw/zinc/03/38/94/354033894.db2.gz RCAYWVDHJGWVMM-LLVKDONJSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCCC[NH3+])[NH+]1CCC(C)CC1 ZINC000419159762 354034404 /nfs/dbraw/zinc/03/44/04/354034404.db2.gz OMNXFHYJFUIPTL-GFCCVEGCSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000419162556 354034483 /nfs/dbraw/zinc/03/44/83/354034483.db2.gz UVFFFOTZABGSJT-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP [NH3+]CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419183820 354035484 /nfs/dbraw/zinc/03/54/84/354035484.db2.gz MSQRODQPMIXVSI-ZDUSSCGKSA-N 2 0 296.415 -0.025 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000419217698 354037344 /nfs/dbraw/zinc/03/73/44/354037344.db2.gz DVQOBHQAKUBDLD-GFCCVEGCSA-N 2 0 282.388 -0.521 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419282288 354043469 /nfs/dbraw/zinc/04/34/69/354043469.db2.gz HTQXLPSDGZOVAN-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000419222940 354037804 /nfs/dbraw/zinc/03/78/04/354037804.db2.gz LMTCTEBJFABPIR-CHWSQXEVSA-N 2 0 294.399 -0.440 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CCC[N@@H+]1C ZINC000419558483 354061511 /nfs/dbraw/zinc/06/15/11/354061511.db2.gz NYIRUFVBHFUSLC-JLLWLGSASA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000419560490 354061660 /nfs/dbraw/zinc/06/16/60/354061660.db2.gz RAPAMRCJJAYMMO-NDBYEHHHSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000419557094 354061868 /nfs/dbraw/zinc/06/18/68/354061868.db2.gz LUKMAYHZFYDTOM-ZDEQEGDKSA-N 2 0 296.415 -0.158 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000419561055 354061921 /nfs/dbraw/zinc/06/19/21/354061921.db2.gz RWHXITCQIKSEQM-TUAOUCFPSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@H]1[C@@H](NC(=O)C(=O)NCCC[NH2+]C2CC2)CCC[N@@H+]1C ZINC000419564095 354062447 /nfs/dbraw/zinc/06/24/47/354062447.db2.gz WZEUMCBEOKUEOW-AAEUAGOBSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[N@H+](C)C1CC1 ZINC000419591449 354065048 /nfs/dbraw/zinc/06/50/48/354065048.db2.gz RCXHDZXANKAGIQ-UTUOFQBUSA-N 2 0 296.415 -0.219 20 0 CBADRP CC(C)[NH+](CCCNC(=O)C(=O)NCC[NH3+])C(C)C ZINC000419662195 354068206 /nfs/dbraw/zinc/06/82/06/354068206.db2.gz HEVIEDGQTZTZOT-UHFFFAOYSA-N 2 0 272.393 -0.314 20 0 CBADRP C[C@H](CCNC(=O)C(=O)N(C)CC[NH3+])[NH+]1CCCCC1 ZINC000419706220 354071011 /nfs/dbraw/zinc/07/10/11/354071011.db2.gz CIRSBUFIUQUWRA-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419700070 354071548 /nfs/dbraw/zinc/07/15/48/354071548.db2.gz WYRNGJCJLRTULO-RYUDHWBXSA-N 2 0 296.415 -0.027 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419737340 354073691 /nfs/dbraw/zinc/07/36/91/354073691.db2.gz SYKGLHQBJFKLEB-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419733068 354073786 /nfs/dbraw/zinc/07/37/86/354073786.db2.gz NQVGIDGKDFQDAQ-UHFFFAOYSA-N 2 0 270.377 -0.558 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419736161 354074138 /nfs/dbraw/zinc/07/41/38/354074138.db2.gz RLXDXWJTKHKAEZ-SNVBAGLBSA-N 2 0 258.366 -0.702 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000419740886 354074666 /nfs/dbraw/zinc/07/46/66/354074666.db2.gz YOJGDECMYQFKOX-AAEUAGOBSA-N 2 0 296.415 -0.027 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419759796 354075628 /nfs/dbraw/zinc/07/56/28/354075628.db2.gz HRUZRHBBGSPTMA-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419770126 354076508 /nfs/dbraw/zinc/07/65/08/354076508.db2.gz DECYIKQBQGCQDF-NWDGAFQWSA-N 2 0 286.420 -0.195 20 0 CBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419780240 354077598 /nfs/dbraw/zinc/07/75/98/354077598.db2.gz QNOYFHMEDJRNOE-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419780879 354077635 /nfs/dbraw/zinc/07/76/35/354077635.db2.gz NGTFCECNIRJTGY-PWSUYJOCSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC[NH2+]C ZINC000419772758 354077676 /nfs/dbraw/zinc/07/76/76/354077676.db2.gz GMGVYCICCAISHA-SNVBAGLBSA-N 2 0 258.366 -0.832 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000419774932 354077722 /nfs/dbraw/zinc/07/77/22/354077722.db2.gz KFJUJMKZZCOGEN-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419782454 354077794 /nfs/dbraw/zinc/07/77/94/354077794.db2.gz OOLXVNHCLQKEEH-ZYHUDNBSSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419787785 354078186 /nfs/dbraw/zinc/07/81/86/354078186.db2.gz XZNWBJABAVWKHY-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP CC(C)[NH+](CCNC(=O)C(=O)NC[C@H](C)C[NH3+])C(C)C ZINC000419795744 354078491 /nfs/dbraw/zinc/07/84/91/354078491.db2.gz LMQANWYYFQCYMX-GFCCVEGCSA-N 2 0 286.420 -0.068 20 0 CBADRP CC(C)[NH+](CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1)C(C)C ZINC000419796095 354078661 /nfs/dbraw/zinc/07/86/61/354078661.db2.gz MRGBHRHJJUGQGB-LBPRGKRZSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])C[NH+]1CCCC1 ZINC000419802722 354079034 /nfs/dbraw/zinc/07/90/34/354079034.db2.gz AMUVHIQPHXBQBW-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000419820446 354080432 /nfs/dbraw/zinc/08/04/32/354080432.db2.gz KIEKKBMTRARFTG-STQMWFEESA-N 2 0 298.431 -0.194 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000419881099 354088519 /nfs/dbraw/zinc/08/85/19/354088519.db2.gz ASGOPPYKKMYLFV-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000419821059 354080574 /nfs/dbraw/zinc/08/05/74/354080574.db2.gz KRSAFZTVZRQSIB-JHJVBQTASA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCCCC1 ZINC000419831213 354081338 /nfs/dbraw/zinc/08/13/38/354081338.db2.gz WPUFXVDXGQCHLI-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000419837164 354081967 /nfs/dbraw/zinc/08/19/67/354081967.db2.gz WHRVQLZQQNQFOJ-CHWSQXEVSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)C[NH+]1CCCC1 ZINC000419834726 354082400 /nfs/dbraw/zinc/08/24/00/354082400.db2.gz ULXKESYPOYGJAE-GFCCVEGCSA-N 2 0 296.415 -0.168 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419838006 354082489 /nfs/dbraw/zinc/08/24/89/354082489.db2.gz DUSYNTNSJNCURI-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC[NH2+]C ZINC000419841612 354083147 /nfs/dbraw/zinc/08/31/47/354083147.db2.gz GLFTWSPKIVCHPB-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419847375 354083730 /nfs/dbraw/zinc/08/37/30/354083730.db2.gz SZRQLIDZZRKOGY-STQMWFEESA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000419846514 354083996 /nfs/dbraw/zinc/08/39/96/354083996.db2.gz QBDSWSHBWFEGTC-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419848803 354084937 /nfs/dbraw/zinc/08/49/37/354084937.db2.gz XDJLAWGVVVLERJ-GFCCVEGCSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419848804 354085100 /nfs/dbraw/zinc/08/51/00/354085100.db2.gz XDJLAWGVVVLERJ-LBPRGKRZSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000419883064 354088718 /nfs/dbraw/zinc/08/87/18/354088718.db2.gz YMHMBKAZBPXRIT-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419864598 354086388 /nfs/dbraw/zinc/08/63/88/354086388.db2.gz AFUIVLAFQOKPOL-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419292337 354044297 /nfs/dbraw/zinc/04/42/97/354044297.db2.gz YHAYUKWCMREOAV-GFCCVEGCSA-N 2 0 284.404 -0.312 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419292141 354044497 /nfs/dbraw/zinc/04/44/97/354044497.db2.gz XUMUJDULCSZXJS-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419293048 354044642 /nfs/dbraw/zinc/04/46/42/354044642.db2.gz ZYNPJDUQGDLYRH-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000419291214 354044807 /nfs/dbraw/zinc/04/48/07/354044807.db2.gz WPEZEFCBEPOSDZ-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000419316669 354045773 /nfs/dbraw/zinc/04/57/73/354045773.db2.gz LOWDFFROQGDGNG-QJPTWQEYSA-N 2 0 294.399 -0.452 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000419341351 354046814 /nfs/dbraw/zinc/04/68/14/354046814.db2.gz YLVLSVPHWYSYLU-WCQYABFASA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000419324315 354046984 /nfs/dbraw/zinc/04/69/84/354046984.db2.gz VNKLEOXSVJOLCF-WOPDTQHZSA-N 2 0 294.399 -0.323 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000419322406 354047027 /nfs/dbraw/zinc/04/70/27/354047027.db2.gz SIBHVNDBHQGFJC-WDEREUQCSA-N 2 0 282.388 -0.547 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000419336950 354047319 /nfs/dbraw/zinc/04/73/19/354047319.db2.gz QCJIISMOYBNSNX-DMDPSCGWSA-N 2 0 296.415 -0.443 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419333154 354047331 /nfs/dbraw/zinc/04/73/31/354047331.db2.gz LKWCSMAVMQFUDA-NQBHXWOUSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419333991 354047500 /nfs/dbraw/zinc/04/75/00/354047500.db2.gz MWLNWFQDTVTLSQ-JIMOISOXSA-N 2 0 294.399 -0.561 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000419407658 354051150 /nfs/dbraw/zinc/05/11/50/354051150.db2.gz KSVACDBDJJNIQT-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419414709 354052279 /nfs/dbraw/zinc/05/22/79/354052279.db2.gz UHVHOPVOHVVDJF-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCCC[NH3+])C1 ZINC000419410954 354052322 /nfs/dbraw/zinc/05/23/22/354052322.db2.gz PFYJULKTKWFRGK-NSHDSACASA-N 2 0 270.377 -0.701 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000419410141 354052609 /nfs/dbraw/zinc/05/26/09/354052609.db2.gz OGJWYVLAHMURLR-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419414008 354052784 /nfs/dbraw/zinc/05/27/84/354052784.db2.gz DRXCLXIJBLMPJC-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000419409624 354052787 /nfs/dbraw/zinc/05/27/87/354052787.db2.gz NFRYIYQMUVTYNY-STQMWFEESA-N 2 0 298.431 -0.194 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000419417656 354053024 /nfs/dbraw/zinc/05/30/24/354053024.db2.gz XKNJNTNCHILCGJ-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000419415205 354053571 /nfs/dbraw/zinc/05/35/71/354053571.db2.gz UWVHNXZSZYVUNN-RYUDHWBXSA-N 2 0 284.404 -0.455 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419419926 354053692 /nfs/dbraw/zinc/05/36/92/354053692.db2.gz JILHMTVHXXZPQN-AAEUAGOBSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419417176 354053847 /nfs/dbraw/zinc/05/38/47/354053847.db2.gz WZGYEXWAIDQEFB-OLZOCXBDSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000419431647 354054280 /nfs/dbraw/zinc/05/42/80/354054280.db2.gz XMQCQOMMTOWXHV-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419431708 354054505 /nfs/dbraw/zinc/05/45/05/354054505.db2.gz XRQHWJFYUAHUSQ-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419429866 354054609 /nfs/dbraw/zinc/05/46/09/354054609.db2.gz VDIYNFREYNUOST-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419430503 354054716 /nfs/dbraw/zinc/05/47/16/354054716.db2.gz VXKTZTCHNDEUBT-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419476179 354055549 /nfs/dbraw/zinc/05/55/49/354055549.db2.gz FYBPTUZPHLJFJI-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[NH2+]CC1)C1CC1 ZINC000419508845 354056217 /nfs/dbraw/zinc/05/62/17/354056217.db2.gz DHXWOVAFDATXHY-UHFFFAOYSA-N 2 0 268.361 -0.981 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000419509236 354057093 /nfs/dbraw/zinc/05/70/93/354057093.db2.gz DUJCXFJBDXRRJE-TXEJJXNPSA-N 2 0 294.399 -0.735 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419509202 354057543 /nfs/dbraw/zinc/05/75/43/354057543.db2.gz DODHTFQDFQOLKK-WDEREUQCSA-N 2 0 272.393 -0.456 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000419519086 354057747 /nfs/dbraw/zinc/05/77/47/354057747.db2.gz FOKHISIYAZSAQY-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419529435 354058199 /nfs/dbraw/zinc/05/81/99/354058199.db2.gz XTBIXCFVZGZPEH-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419526142 354058400 /nfs/dbraw/zinc/05/84/00/354058400.db2.gz SOLLZZAGGNCAIG-UWVGGRQHSA-N 2 0 258.366 -0.704 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000419526353 354058646 /nfs/dbraw/zinc/05/86/46/354058646.db2.gz STNRKFGXZFICAX-AGIUHOORSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000419526168 354058674 /nfs/dbraw/zinc/05/86/74/354058674.db2.gz SRRRSLZZUVMEHV-NSHDSACASA-N 2 0 272.393 -0.441 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419530421 354058678 /nfs/dbraw/zinc/05/86/78/354058678.db2.gz ZHUNOYIBVWGHDM-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)C1CC1 ZINC000419530301 354058706 /nfs/dbraw/zinc/05/87/06/354058706.db2.gz YVDPWPQQAZDPIC-LBPRGKRZSA-N 2 0 282.388 -0.560 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419528034 354058717 /nfs/dbraw/zinc/05/87/17/354058717.db2.gz VUDDCPRTFHDCJV-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419524563 354058722 /nfs/dbraw/zinc/05/87/22/354058722.db2.gz QFQDXTIHNAUWMR-PWSUYJOCSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])C(C)(C)C[NH+](C)C ZINC000419537169 354059722 /nfs/dbraw/zinc/05/97/22/354059722.db2.gz CGMZFBLGEKOAAS-VHSXEESVSA-N 2 0 272.393 -0.458 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000419537208 354059749 /nfs/dbraw/zinc/05/97/49/354059749.db2.gz CKPLFTKTPDJIRJ-VXGBXAGGSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](NC(=O)C(=O)N1CCC[NH2+]CC1)C(C)(C)C[NH+](C)C ZINC000419546725 354060006 /nfs/dbraw/zinc/06/00/06/354060006.db2.gz OORKNBRUJNETJH-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000419544803 354060279 /nfs/dbraw/zinc/06/02/79/354060279.db2.gz LNGJZVLZTFHUHJ-QWRGUYRKSA-N 2 0 286.420 -0.210 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)CC[NH2+]1 ZINC000419544330 354060337 /nfs/dbraw/zinc/06/03/37/354060337.db2.gz HLCGVNRNEZOEBJ-IJLUTSLNSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)C(C)(C)C[NH+](C)C ZINC000419549012 354060408 /nfs/dbraw/zinc/06/04/08/354060408.db2.gz SJPMNYVCARBSHG-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](NC(=O)C(=O)N1CCC[NH2+]CC1)C(C)(C)C[NH+](C)C ZINC000419546724 354060465 /nfs/dbraw/zinc/06/04/65/354060465.db2.gz OORKNBRUJNETJH-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)CCC[N@@H+]1C ZINC000419560741 354061077 /nfs/dbraw/zinc/06/10/77/354061077.db2.gz RODYEQDMKWAUSG-MNOVXSKESA-N 2 0 268.361 -0.983 20 0 CBADRP C[C@H]1[C@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC[N@@H+]1C ZINC000419556633 354061150 /nfs/dbraw/zinc/06/11/50/354061150.db2.gz KWTYMLIQUNYINT-WUHRBBMRSA-N 2 0 294.399 -0.737 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)CCC[N@@H+]1C ZINC000419560739 354061212 /nfs/dbraw/zinc/06/12/12/354061212.db2.gz RODYEQDMKWAUSG-GHMZBOCLSA-N 2 0 268.361 -0.983 20 0 CBADRP CN(CC1CC1)S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420448045 354129017 /nfs/dbraw/zinc/12/90/17/354129017.db2.gz DKTKPBKLWCWCNT-UHFFFAOYSA-N 2 0 278.422 -0.427 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419883834 354089623 /nfs/dbraw/zinc/08/96/23/354089623.db2.gz FADSLASLKPYDKN-LLVKDONJSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000419889557 354089774 /nfs/dbraw/zinc/08/97/74/354089774.db2.gz LDTHJKGAPCWHRL-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419889806 354089954 /nfs/dbraw/zinc/08/99/54/354089954.db2.gz SDMBBSMPNJRBFJ-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000419904961 354091882 /nfs/dbraw/zinc/09/18/82/354091882.db2.gz YFKWQKNUEGSGNA-UHFFFAOYSA-N 2 0 296.371 -0.495 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000419927455 354094051 /nfs/dbraw/zinc/09/40/51/354094051.db2.gz CSHWODFTCOHOHS-XQQFMLRXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C[C@H]1[NH+](C)C ZINC000419930525 354094733 /nfs/dbraw/zinc/09/47/33/354094733.db2.gz BGTUTNJRQHIGRB-YNEHKIRRSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000419943838 354095200 /nfs/dbraw/zinc/09/52/00/354095200.db2.gz HYBVCQDYUHFCDZ-GFCCVEGCSA-N 2 0 286.420 -0.243 20 0 CBADRP CCN1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)C[NH3+])C[C@@H]1C ZINC000419944735 354095388 /nfs/dbraw/zinc/09/53/88/354095388.db2.gz BKBZGFVQOAIVGH-WOPDTQHZSA-N 2 0 284.404 -0.362 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000419943840 354095423 /nfs/dbraw/zinc/09/54/23/354095423.db2.gz HYBVCQDYUHFCDZ-LBPRGKRZSA-N 2 0 286.420 -0.243 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000419949435 354096129 /nfs/dbraw/zinc/09/61/29/354096129.db2.gz LGFSHFDELOCKSA-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419953555 354096595 /nfs/dbraw/zinc/09/65/95/354096595.db2.gz PVXQWFIHTXCIAN-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000419960720 354097370 /nfs/dbraw/zinc/09/73/70/354097370.db2.gz WRPYRBRXPKJTAC-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000419970809 354098073 /nfs/dbraw/zinc/09/80/73/354098073.db2.gz CMICMZVWODRWCP-LBPRGKRZSA-N 2 0 284.404 -0.362 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000419981320 354099312 /nfs/dbraw/zinc/09/93/12/354099312.db2.gz RZYNBWMXIPIIMP-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H](C)CC[NH3+])C(C)C ZINC000419989745 354099957 /nfs/dbraw/zinc/09/99/57/354099957.db2.gz JHPABIQHIOZKPE-LLVKDONJSA-N 2 0 272.393 -0.314 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000419992886 354100392 /nfs/dbraw/zinc/10/03/92/354100392.db2.gz DBXNITBXPNABLW-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000420022363 354103296 /nfs/dbraw/zinc/10/32/96/354103296.db2.gz VQMVCLUOYQIHBM-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000420021107 354103338 /nfs/dbraw/zinc/10/33/38/354103338.db2.gz UALRVIBLLUNRPC-RYUDHWBXSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000420034683 354103795 /nfs/dbraw/zinc/10/37/95/354103795.db2.gz XUUOQITVLQLBSH-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)C(C)C ZINC000420065386 354107240 /nfs/dbraw/zinc/10/72/40/354107240.db2.gz PQTTYEFGKVSDCO-LBPRGKRZSA-N 2 0 284.404 -0.314 20 0 CBADRP CCS(=O)(=O)NCCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000420318659 354122952 /nfs/dbraw/zinc/12/29/52/354122952.db2.gz OIGQRNQZLKYFTD-QWRGUYRKSA-N 2 0 263.407 -0.015 20 0 CBADRP C[C@@H]1CCN(CCC(=O)N2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000420333987 354124586 /nfs/dbraw/zinc/12/45/86/354124586.db2.gz KOXOQZAQMSYFEX-OLZOCXBDSA-N 2 0 268.405 -0.133 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)CC[NH3+])C1 ZINC000420375345 354126646 /nfs/dbraw/zinc/12/66/46/354126646.db2.gz IWXJIPCTICYBQR-ZDUSSCGKSA-N 2 0 286.420 -0.650 20 0 CBADRP C[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000420401253 354127135 /nfs/dbraw/zinc/12/71/35/354127135.db2.gz IYZZJEXGNPKTHO-CHWSQXEVSA-N 3 0 268.405 -0.275 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)C[C@@H](C)[NH2+]1 ZINC000423221388 354165838 /nfs/dbraw/zinc/16/58/38/354165838.db2.gz ZSHVZUCSJCGKQE-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000423232906 354165882 /nfs/dbraw/zinc/16/58/82/354165882.db2.gz JARVWQRBWVYVFX-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000423232905 354165967 /nfs/dbraw/zinc/16/59/67/354165967.db2.gz JARVWQRBWVYVFX-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)C[C@H](C)[NH2+]1 ZINC000423247221 354166113 /nfs/dbraw/zinc/16/61/13/354166113.db2.gz QHXIJRDDUFIWAP-FRRDWIJNSA-N 2 0 296.415 -0.252 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423247957 354167369 /nfs/dbraw/zinc/16/73/69/354167369.db2.gz QXQIBZDMTUUPIA-NEPJUHHUSA-N 2 0 282.388 -0.511 20 0 CBADRP CN(C(=O)C(=O)N1CC[NH2+]CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000423274292 354167470 /nfs/dbraw/zinc/16/74/70/354167470.db2.gz LUDWZGQOPGYTJY-GFCCVEGCSA-N 2 0 280.372 -0.887 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000423363879 354172275 /nfs/dbraw/zinc/17/22/75/354172275.db2.gz CBGFGJIRJUXNMT-UPJWGTAASA-N 2 0 296.415 -0.170 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000423430431 354175669 /nfs/dbraw/zinc/17/56/69/354175669.db2.gz MKWVKPCHKSGWPW-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423438961 354176436 /nfs/dbraw/zinc/17/64/36/354176436.db2.gz VZLGPGAVODFVBF-BETUJISGSA-N 2 0 296.415 -0.536 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000423439336 354176505 /nfs/dbraw/zinc/17/65/05/354176505.db2.gz WICMFJLCFSBKCI-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000423432967 354176742 /nfs/dbraw/zinc/17/67/42/354176742.db2.gz BWLCMORTELBRCA-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000423439903 354176868 /nfs/dbraw/zinc/17/68/68/354176868.db2.gz WSXHOEUMXHLPDY-CYBMUJFWSA-N 2 0 296.415 -0.392 20 0 CBADRP CN1CCN(C(=O)CC[NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422714155 354152013 /nfs/dbraw/zinc/15/20/13/354152013.db2.gz KSJCYBFJVSZBKM-STQMWFEESA-N 2 0 268.405 -0.133 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422971379 354158807 /nfs/dbraw/zinc/15/88/07/354158807.db2.gz IOAYHBUHGHRFJQ-NEPJUHHUSA-N 2 0 284.404 -0.362 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423062430 354161161 /nfs/dbraw/zinc/16/11/61/354161161.db2.gz NAOCKQJSNMVOHW-LBPRGKRZSA-N 2 0 284.404 -0.408 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)C1 ZINC000423054619 354161735 /nfs/dbraw/zinc/16/17/35/354161735.db2.gz BXQABBWMMHSASM-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423123414 354162778 /nfs/dbraw/zinc/16/27/78/354162778.db2.gz MPZXVGILFGMORS-GFCCVEGCSA-N 2 0 282.388 -0.782 20 0 CBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000423625000 354185971 /nfs/dbraw/zinc/18/59/71/354185971.db2.gz CIWNPKANEDCIMF-NDBYEHHHSA-N 2 0 296.415 -0.267 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@@H](C)C[NH2+]1 ZINC000423626016 354186598 /nfs/dbraw/zinc/18/65/98/354186598.db2.gz FCSIHRHKLSOXCG-AGIUHOORSA-N 2 0 296.415 -0.395 20 0 CBADRP COC[C@]1(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CCC[NH2+]1 ZINC000423631037 354186907 /nfs/dbraw/zinc/18/69/07/354186907.db2.gz FXRDPANTZKEEAY-UKRRQHHQSA-N 2 0 299.415 -0.020 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1COCCN1CC1CCC1 ZINC000423665657 354190118 /nfs/dbraw/zinc/19/01/18/354190118.db2.gz KETBVOHETSPNEG-RFQIPJPRSA-N 2 0 279.384 -0.179 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC[NH2+]1 ZINC000423673661 354191351 /nfs/dbraw/zinc/19/13/51/354191351.db2.gz GERLXOCMQBMGNP-SWLSCSKDSA-N 2 0 294.399 -0.639 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000423712309 354193318 /nfs/dbraw/zinc/19/33/18/354193318.db2.gz CXJTUKMVXUOQRB-QWHCGFSZSA-N 2 0 296.415 -0.121 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423718712 354193853 /nfs/dbraw/zinc/19/38/53/354193853.db2.gz DIDWLVTWTZSOTR-GFCCVEGCSA-N 2 0 298.431 -0.018 20 0 CBADRP COCC[NH2+]CC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000423744021 354196123 /nfs/dbraw/zinc/19/61/23/354196123.db2.gz KTLSEONRASHMTI-CYBMUJFWSA-N 2 0 287.404 -0.208 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)C(F)(F)F ZINC000424194214 354217533 /nfs/dbraw/zinc/21/75/33/354217533.db2.gz RYXKYIJXWNWTRZ-RNFRBKRXSA-N 2 0 255.240 -0.629 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000423748353 354197598 /nfs/dbraw/zinc/19/75/98/354197598.db2.gz UHFKHTOXRRENTE-ZIAGYGMSSA-N 2 0 280.416 -0.023 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424059152 354208243 /nfs/dbraw/zinc/20/82/43/354208243.db2.gz MTMNSOBIXXGMGD-RYUDHWBXSA-N 2 0 292.387 -0.068 20 0 CBADRP C[C@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC[NH2+]1 ZINC000424075080 354208987 /nfs/dbraw/zinc/20/89/87/354208987.db2.gz IQBQPJQPMJJVCJ-WDEREUQCSA-N 2 0 278.360 -0.364 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424082223 354209015 /nfs/dbraw/zinc/20/90/15/354209015.db2.gz WJHNITRBDAZBMU-GHMZBOCLSA-N 2 0 280.376 -0.084 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424082225 354209042 /nfs/dbraw/zinc/20/90/42/354209042.db2.gz WJHNITRBDAZBMU-QWRGUYRKSA-N 2 0 280.376 -0.084 20 0 CBADRP C[NH2+]CCNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424075284 354209218 /nfs/dbraw/zinc/20/92/18/354209218.db2.gz JEAWKKSBUWXUJI-VIFPVBQESA-N 2 0 251.334 -0.174 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424129053 354209911 /nfs/dbraw/zinc/20/99/11/354209911.db2.gz FYWYXBUUNXUXMH-NEPJUHHUSA-N 2 0 292.387 -0.116 20 0 CBADRP C[C@H](C[NH3+])NC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424154188 354211699 /nfs/dbraw/zinc/21/16/99/354211699.db2.gz MIBWBHHSHHTDRA-RKDXNWHRSA-N 2 0 251.334 -0.046 20 0 CBADRP [NH3+][C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)C1CC1 ZINC000424151636 354212142 /nfs/dbraw/zinc/21/21/42/354212142.db2.gz IEXBGTOTFQHRIS-WDEREUQCSA-N 2 0 278.360 -0.330 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424177113 354215849 /nfs/dbraw/zinc/21/58/49/354215849.db2.gz PLXUSHPWXVJXFV-VHSXEESVSA-N 2 0 266.349 -0.330 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@@H]1C[NH2+]CCN1C ZINC000423500852 354178535 /nfs/dbraw/zinc/17/85/35/354178535.db2.gz DBCVWDJQUYZWJU-KWCYVHTRSA-N 2 0 252.406 -0.038 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000430896938 354250556 /nfs/dbraw/zinc/25/05/56/354250556.db2.gz JLMOHWMCGIYOSV-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)COC1C[NH2+]C1 ZINC000430744663 354250776 /nfs/dbraw/zinc/25/07/76/354250776.db2.gz SYJFNNSCYFKXQT-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000431023511 354251631 /nfs/dbraw/zinc/25/16/31/354251631.db2.gz RFBAQABLCRRABG-UPJWGTAASA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](C)C(=O)N(C)C)CC1 ZINC000430926197 354251846 /nfs/dbraw/zinc/25/18/46/354251846.db2.gz MUFYCMYSRWOVES-QWRGUYRKSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H](CC(N)=O)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442888620 354259264 /nfs/dbraw/zinc/25/92/64/354259264.db2.gz GTJNMHQFJQRIBS-NSHDSACASA-N 2 0 256.394 -0.134 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1coc(C[NH3+])c1 ZINC000444177844 354263108 /nfs/dbraw/zinc/26/31/08/354263108.db2.gz UGPFLDFCMOFVLA-GFCCVEGCSA-N 2 0 294.355 -0.192 20 0 CBADRP COCC(C)(C)[NH+]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000424218851 354220277 /nfs/dbraw/zinc/22/02/77/354220277.db2.gz XKRAMSKRDICQCD-CYBMUJFWSA-N 2 0 299.415 -0.066 20 0 CBADRP CCC[C@@H]([NH3+])C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424233796 354220549 /nfs/dbraw/zinc/22/05/49/354220549.db2.gz JMOFTYZXJSEAHD-QJPTWQEYSA-N 2 0 265.361 -0.199 20 0 CBADRP COCC(C)(C)[NH+]1CCN(C(=O)NCC[NH3+])CC1 ZINC000424472007 354225612 /nfs/dbraw/zinc/22/56/12/354225612.db2.gz DVIIVKSCLQLIKO-UHFFFAOYSA-N 2 0 258.366 -0.303 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424484120 354226130 /nfs/dbraw/zinc/22/61/30/354226130.db2.gz ZSIKFYZANPXDAB-KGYLQXTDSA-N 2 0 294.403 -0.288 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000447434591 354298884 /nfs/dbraw/zinc/29/88/84/354298884.db2.gz HSXXCKBXOLLXCU-ZDUSSCGKSA-N 2 0 285.388 -0.327 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000444271820 354267241 /nfs/dbraw/zinc/26/72/41/354267241.db2.gz ZZTWACJCMKIYHL-DZGCQCFKSA-N 2 0 280.416 -0.260 20 0 CBADRP C[C@H](CNC(=O)c1c[nH+]ccc1N)N1CC[NH+](C)CC1 ZINC000444265614 354267617 /nfs/dbraw/zinc/26/76/17/354267617.db2.gz BGYLGGIMLZPQKJ-LLVKDONJSA-N 2 0 277.372 -0.140 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000444271822 354267648 /nfs/dbraw/zinc/26/76/48/354267648.db2.gz ZZTWACJCMKIYHL-HIFRSBDPSA-N 2 0 280.416 -0.260 20 0 CBADRP C[NH+]1CCN(c2ncccc2CNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444271285 354267712 /nfs/dbraw/zinc/26/77/12/354267712.db2.gz RFUSVOGDCBZOIR-CYBMUJFWSA-N 2 0 289.383 -0.189 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000449059053 354317899 /nfs/dbraw/zinc/31/78/99/354317899.db2.gz OKBPWQJFKASKDR-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP [NH3+]C1(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCC1 ZINC000449345646 354319759 /nfs/dbraw/zinc/31/97/59/354319759.db2.gz WJWMFARSLGUYRT-UHFFFAOYSA-N 2 0 294.399 -0.366 20 0 CBADRP CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000489475953 354432746 /nfs/dbraw/zinc/43/27/46/354432746.db2.gz KJFFHODRGTUIMC-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000489475956 354433070 /nfs/dbraw/zinc/43/30/70/354433070.db2.gz KJFFHODRGTUIMC-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000460084601 354397932 /nfs/dbraw/zinc/39/79/32/354397932.db2.gz VKOBDVFZHWMQHC-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)CCOCCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000471633558 354400558 /nfs/dbraw/zinc/40/05/58/354400558.db2.gz BROAIZSJPVQMAI-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000487130845 354411837 /nfs/dbraw/zinc/41/18/37/354411837.db2.gz PXEVKZQZKULQJG-AWEZNQCLSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC000487190242 354412947 /nfs/dbraw/zinc/41/29/47/354412947.db2.gz QXDUTYVQOIOGOG-RYUDHWBXSA-N 2 0 257.378 -0.386 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000487190244 354412967 /nfs/dbraw/zinc/41/29/67/354412967.db2.gz QXDUTYVQOIOGOG-VXGBXAGGSA-N 2 0 257.378 -0.386 20 0 CBADRP C[C@@H]1[C@H](CO)CC[NH+]1C[C@@H](O)C[N@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488743432 354426859 /nfs/dbraw/zinc/42/68/59/354426859.db2.gz IGNLASADOKKTGM-AICCOOGYSA-N 2 0 286.416 -0.247 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)/C=C\C[NH+](C)C)C1 ZINC000491904848 354462783 /nfs/dbraw/zinc/46/27/83/354462783.db2.gz LAMZGWBBHOAXLP-QMAVJUDZSA-N 2 0 255.362 -0.059 20 0 CBADRP CCOC(=O)N1CCN(C(=O)CN(C)C2CC([NH3+])C2)CC1 ZINC000496109668 354533142 /nfs/dbraw/zinc/53/31/42/354533142.db2.gz XWZGILSNHXHOSV-UHFFFAOYSA-N 2 0 298.387 -0.291 20 0 CBADRP C[C@H](CNC(=O)[C@H](C)[C@@H](C)[NH3+])C[NH+]1CCN(C)CC1 ZINC000493945105 354494772 /nfs/dbraw/zinc/49/47/72/354494772.db2.gz NQIKPRPWUPNDNR-JHJVBQTASA-N 2 0 270.421 -0.031 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000518530778 354558354 /nfs/dbraw/zinc/55/83/54/354558354.db2.gz HLTRVWDHKPIDSO-ZJUUUORDSA-N 2 0 256.350 -0.963 20 0 CBADRP C[NH+](C)CCN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000518767823 354559636 /nfs/dbraw/zinc/55/96/36/354559636.db2.gz ZMFZRYKSVICQKG-GFCCVEGCSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH+](C)CCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000518767824 354559822 /nfs/dbraw/zinc/55/98/22/354559822.db2.gz ZMFZRYKSVICQKG-LBPRGKRZSA-N 2 0 282.388 -0.593 20 0 CBADRP CCC(CC)(C[NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000519402099 354560929 /nfs/dbraw/zinc/56/09/29/354560929.db2.gz YBNWVOCHSKUDOI-UHFFFAOYSA-N 2 0 270.377 -0.701 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000519531913 354561564 /nfs/dbraw/zinc/56/15/64/354561564.db2.gz JYBAZBKCWZMVNT-YPMHNXCESA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000519635690 354565858 /nfs/dbraw/zinc/56/58/58/354565858.db2.gz AIUIEOUJOPZCPJ-AVGNSLFASA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000520610004 354569698 /nfs/dbraw/zinc/56/96/98/354569698.db2.gz ONORFFIILTZVBU-LBPRGKRZSA-N 2 0 282.388 -0.639 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000529303626 354583663 /nfs/dbraw/zinc/58/36/63/354583663.db2.gz ABLLDCWSJKSOIM-WDEREUQCSA-N 2 0 268.361 -0.489 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000529303621 354583727 /nfs/dbraw/zinc/58/37/27/354583727.db2.gz ABLLDCWSJKSOIM-QWRGUYRKSA-N 2 0 268.361 -0.489 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000529389703 354585519 /nfs/dbraw/zinc/58/55/19/354585519.db2.gz SFGHNZCSSIKRHB-ZYHUDNBSSA-N 2 0 268.361 -0.489 20 0 CBADRP CC1([NH3+])CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529390759 354585859 /nfs/dbraw/zinc/58/58/59/354585859.db2.gz VVDHHLCVXGZSNU-SNVBAGLBSA-N 2 0 256.350 -0.502 20 0 CBADRP [NH3+]C[C@H]1CCCCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529391102 354585942 /nfs/dbraw/zinc/58/59/42/354585942.db2.gz XVEHKNBIHFCKNS-WDEREUQCSA-N 2 0 256.350 -0.502 20 0 CBADRP CC[C@@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)CC[C@H]1[NH3+] ZINC000529390174 354586096 /nfs/dbraw/zinc/58/60/96/354586096.db2.gz TVAHWYDEYBJCBT-GRYCIOLGSA-N 2 0 270.377 -0.256 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)CC[C@H]1[NH3+] ZINC000529391327 354586106 /nfs/dbraw/zinc/58/61/06/354586106.db2.gz YTPWJSQJHPPANA-GMTAPVOTSA-N 2 0 256.350 -0.647 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)C[N@@H+]1C1CC1 ZINC000547298840 354657787 /nfs/dbraw/zinc/65/77/87/354657787.db2.gz UIQAAZQWMFXYEH-TYNCELHUSA-N 2 0 296.415 -0.023 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000537567798 354610237 /nfs/dbraw/zinc/61/02/37/354610237.db2.gz YPAAMQCFTRONAG-ILXRZTDVSA-N 2 0 285.432 -0.049 20 0 CBADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CC1)C(=O)NCC[NH+](C)C ZINC000556901334 354683545 /nfs/dbraw/zinc/68/35/45/354683545.db2.gz MMNRTAUUZIGFHU-WCQYABFASA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@H+](CCNC(=O)N1CCN(C)C[C@@H]1C[NH3+])C1CC1 ZINC000557144676 354685238 /nfs/dbraw/zinc/68/52/38/354685238.db2.gz MXUNGPASBOHCEM-ZDUSSCGKSA-N 2 0 283.420 -0.245 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000557241473 354686153 /nfs/dbraw/zinc/68/61/53/354686153.db2.gz HVJPSWOGLMHFJH-NNYUYHANSA-N 2 0 252.362 -0.012 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000562979080 354690574 /nfs/dbraw/zinc/69/05/74/354690574.db2.gz DNDZYSYCTCEBTD-QWHCGFSZSA-N 2 0 263.341 -0.037 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)C12CCC[NH+]1CCC2 ZINC000562981394 354690593 /nfs/dbraw/zinc/69/05/93/354690593.db2.gz IUFLVPHZZMEIDT-LLVKDONJSA-N 2 0 253.346 -0.281 20 0 CBADRP CNC(=O)CN1CCC([NH2+]C[C@H](O)CN(C)C2CC2)CC1 ZINC000562986756 354690732 /nfs/dbraw/zinc/69/07/32/354690732.db2.gz BUYRTOWVGJUQGY-AWEZNQCLSA-N 2 0 298.431 -0.759 20 0 CBADRP COCCN1CCC[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000562986340 354691086 /nfs/dbraw/zinc/69/10/86/354691086.db2.gz XGRCSJWVNXMQDR-UONOGXRCSA-N 2 0 282.388 -0.056 20 0 CBADRP CC1(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[NH2+]C1 ZINC000563048672 354693631 /nfs/dbraw/zinc/69/36/31/354693631.db2.gz XLKOAZGWYBPJGG-NSHDSACASA-N 2 0 282.388 -0.701 20 0 CBADRP COC(=O)C1CC[NH+](CCCNC(=O)CC[NH3+])CC1 ZINC000563070088 354694501 /nfs/dbraw/zinc/69/45/01/354694501.db2.gz OXPZTOLXTJPBAA-UHFFFAOYSA-N 2 0 271.361 -0.274 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)C[NH+]1CCN(C)CC1 ZINC000563077513 354694550 /nfs/dbraw/zinc/69/45/50/354694550.db2.gz IFCOPMKZNINIDW-HZSPNIEDSA-N 2 0 282.432 -0.016 20 0 CBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C[NH2+]C3CC3)C2)CC1 ZINC000563073708 354694664 /nfs/dbraw/zinc/69/46/64/354694664.db2.gz DLSPBRFNDUIKFR-CQSZACIVSA-N 2 0 280.416 -0.023 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000563093064 354695813 /nfs/dbraw/zinc/69/58/13/354695813.db2.gz XNVJFYQGOUYLIE-WCQYABFASA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000563095493 354696038 /nfs/dbraw/zinc/69/60/38/354696038.db2.gz WLOVBJSYZLZKNO-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH2+][C@@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)c1cnn(C)c1 ZINC000563101035 354696547 /nfs/dbraw/zinc/69/65/47/354696547.db2.gz PSAJKMXLTLPBDS-GHMZBOCLSA-N 2 0 251.334 -0.499 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000563101454 354696559 /nfs/dbraw/zinc/69/65/59/354696559.db2.gz IDWJKRMEZWRBBX-WDEREUQCSA-N 2 0 270.377 -0.784 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000563100161 354696627 /nfs/dbraw/zinc/69/66/27/354696627.db2.gz QXNCYWQVOOMWMU-AAEUAGOBSA-N 2 0 296.415 -0.170 20 0 CBADRP CN1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H](C[NH3+])C1 ZINC000563101633 354696873 /nfs/dbraw/zinc/69/68/73/354696873.db2.gz JZSIPKIQINMKSY-LBPRGKRZSA-N 2 0 254.378 -0.571 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000563115779 354697216 /nfs/dbraw/zinc/69/72/16/354697216.db2.gz MUGCYFRMIXRUFB-OCCSQVGLSA-N 2 0 275.352 -0.022 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000563115778 354697611 /nfs/dbraw/zinc/69/76/11/354697611.db2.gz MUGCYFRMIXRUFB-JSGCOSHPSA-N 2 0 275.352 -0.022 20 0 CBADRP C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC000563150805 354700199 /nfs/dbraw/zinc/70/01/99/354700199.db2.gz RGILZGJEQBFYSV-AWEZNQCLSA-N 3 0 252.406 -0.033 20 0 CBADRP Nc1cc[nH+]cc1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000563162184 354700782 /nfs/dbraw/zinc/70/07/82/354700782.db2.gz JDKSSFSCCUHMDA-VIFPVBQESA-N 2 0 250.302 -0.398 20 0 CBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000563162380 354700809 /nfs/dbraw/zinc/70/08/09/354700809.db2.gz CPAXGUBXPOEILM-LOWVWBTDSA-N 2 0 253.346 -0.689 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)nn1 ZINC000563806741 354705163 /nfs/dbraw/zinc/70/51/63/354705163.db2.gz CJLNHUHQNSHBOY-NSHDSACASA-N 2 0 292.387 -0.017 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000563899629 354708223 /nfs/dbraw/zinc/70/82/23/354708223.db2.gz FAGXPKQZIOXZJA-OLZOCXBDSA-N 2 0 296.415 -0.441 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000563956805 354709169 /nfs/dbraw/zinc/70/91/69/354709169.db2.gz UOOOCZSZEBAYBX-JHJVBQTASA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000564456795 354712777 /nfs/dbraw/zinc/71/27/77/354712777.db2.gz ORYCOFVIUXDVGQ-VXGBXAGGSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@]1(F)C[NH2+]CCN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000564453413 354712884 /nfs/dbraw/zinc/71/28/84/354712884.db2.gz NFOTXZIWXKNCOP-JSGCOSHPSA-N 2 0 286.395 -0.183 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000564798907 354717392 /nfs/dbraw/zinc/71/73/92/354717392.db2.gz AANAKAMOGZWTLE-UWVGGRQHSA-N 2 0 270.377 -0.561 20 0 CBADRP COCC1(CNC(=O)C[C@@H]2COCC[NH2+]2)CC[NH2+]CC1 ZINC000564839350 354718503 /nfs/dbraw/zinc/71/85/03/354718503.db2.gz DZCHDIUTIRJUCM-GFCCVEGCSA-N 2 0 285.388 -0.503 20 0 CBADRP CC[NH+](CC)CCCN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565237016 354733713 /nfs/dbraw/zinc/73/37/13/354733713.db2.gz ASVZBBFHLWWZCQ-STQMWFEESA-N 2 0 268.405 -0.038 20 0 CBADRP C[NH2+][C@H](C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1cnn(C)c1 ZINC000564931283 354721386 /nfs/dbraw/zinc/72/13/86/354721386.db2.gz HACAPFICXHPZKP-BQUFFADESA-N 2 0 277.372 -0.124 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564945863 354722165 /nfs/dbraw/zinc/72/21/65/354722165.db2.gz NQGRWUGOKNUGPL-JTQLQIEISA-N 2 0 270.377 -0.512 20 0 CBADRP C[C@]1(C[NH3+])CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000564986295 354723444 /nfs/dbraw/zinc/72/34/44/354723444.db2.gz LSLFEWXRXDUHFA-CYBMUJFWSA-N 2 0 254.378 -0.521 20 0 CBADRP C[C@@]1(C[NH3+])CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000564986296 354723698 /nfs/dbraw/zinc/72/36/98/354723698.db2.gz LSLFEWXRXDUHFA-ZDUSSCGKSA-N 2 0 254.378 -0.521 20 0 CBADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)CCc1cnccn1 ZINC000564988372 354724395 /nfs/dbraw/zinc/72/43/95/354724395.db2.gz CIZZAHHXTIKZIT-UHFFFAOYSA-N 2 0 277.372 -0.227 20 0 CBADRP [NH3+]CCC1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000565151867 354729371 /nfs/dbraw/zinc/72/93/71/354729371.db2.gz XBKZNKXHKRMQIA-CYBMUJFWSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000566012827 354750504 /nfs/dbraw/zinc/75/05/04/354750504.db2.gz UPVOLVWODPVTLS-UTUOFQBUSA-N 2 0 254.378 -0.524 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000566008874 354750826 /nfs/dbraw/zinc/75/08/26/354750826.db2.gz OPYJWFBTIOZUDL-DCAQKATOSA-N 2 0 271.361 -0.242 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2COCC2(C)C)CC1 ZINC000566064056 354751581 /nfs/dbraw/zinc/75/15/81/354751581.db2.gz XPEUUQZPRSJJRC-QWHCGFSZSA-N 2 0 271.405 -0.391 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCN(C3CC3)C2)CC1 ZINC000566107845 354752546 /nfs/dbraw/zinc/75/25/46/354752546.db2.gz BALCSJWNAQAATN-DZGCQCFKSA-N 2 0 282.432 -0.579 20 0 CBADRP C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC000566112721 354753430 /nfs/dbraw/zinc/75/34/30/354753430.db2.gz RGTLFKNUKGBFKH-HNNXBMFYSA-N 2 0 295.431 -0.140 20 0 CBADRP O=C(NCC[N@@H+]1CCCOCC1)C1CC[NH2+]CC1 ZINC000566196567 354756928 /nfs/dbraw/zinc/75/69/28/354756928.db2.gz NLGUGALQORUHMS-UHFFFAOYSA-N 2 0 255.362 -0.176 20 0 CBADRP CC1CC[NH+](CC(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000566200530 354756993 /nfs/dbraw/zinc/75/69/93/354756993.db2.gz YXUQLIRNPCGAOB-CYBMUJFWSA-N 2 0 268.405 -0.180 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000566213470 354757713 /nfs/dbraw/zinc/75/77/13/354757713.db2.gz RYGSZKHNQGFWLF-IJLUTSLNSA-N 2 0 282.388 -0.512 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCC[C@@H](CO)C2)CC1 ZINC000566231965 354758265 /nfs/dbraw/zinc/75/82/65/354758265.db2.gz WMIBVRXPIGSWSJ-ARFHVFGLSA-N 2 0 299.459 -0.017 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000566236533 354759190 /nfs/dbraw/zinc/75/91/90/354759190.db2.gz FQMOCRNOJHFAIQ-QJPTWQEYSA-N 2 0 284.404 -0.219 20 0 CBADRP COC(=O)[C@H]1C[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000567606140 354791432 /nfs/dbraw/zinc/79/14/32/354791432.db2.gz XMQUISQUOIZHBC-FRRDWIJNSA-N 2 0 285.388 -0.864 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000566513036 354770949 /nfs/dbraw/zinc/77/09/49/354770949.db2.gz RUUCOIJOHTVNJN-RYUDHWBXSA-N 2 0 282.388 -0.594 20 0 CBADRP C[N@@H+]1CCCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000566679364 354772975 /nfs/dbraw/zinc/77/29/75/354772975.db2.gz UTQHKVBWADCTLN-LBPRGKRZSA-N 2 0 292.387 -0.192 20 0 CBADRP C[N@@H+]1CCCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000566679362 354772982 /nfs/dbraw/zinc/77/29/82/354772982.db2.gz UTQHKVBWADCTLN-GFCCVEGCSA-N 2 0 292.387 -0.192 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000566918455 354777186 /nfs/dbraw/zinc/77/71/86/354777186.db2.gz WACMEYFRCCYIRF-YPMHNXCESA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C[C@H](C)[NH2+]1 ZINC000566914044 354777226 /nfs/dbraw/zinc/77/72/26/354777226.db2.gz VYSMFRMPQUPJJG-TUAOUCFPSA-N 2 0 292.387 -0.148 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000566975068 354778792 /nfs/dbraw/zinc/77/87/92/354778792.db2.gz SHIUTQUVRHFMPP-OBJOEFQTSA-N 2 0 298.431 -0.033 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[NH2+]C1CC1 ZINC000567231602 354783322 /nfs/dbraw/zinc/78/33/22/354783322.db2.gz HOILWAVZRJROED-NSHDSACASA-N 2 0 268.361 -0.806 20 0 CBADRP CCC[C@H](C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[NH+](C)C ZINC000567292421 354785030 /nfs/dbraw/zinc/78/50/30/354785030.db2.gz PROVWMXYNMIUDF-GRYCIOLGSA-N 2 0 282.388 -0.513 20 0 CBADRP CC(C)([NH3+])C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000567351126 354785695 /nfs/dbraw/zinc/78/56/95/354785695.db2.gz XPBPOFCFCMGMFQ-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000565254982 354734767 /nfs/dbraw/zinc/73/47/67/354734767.db2.gz RMBYZJKCFIVKNP-CYBMUJFWSA-N 2 0 296.415 -0.073 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)N(C)CCC[NH3+] ZINC000565254668 354734776 /nfs/dbraw/zinc/73/47/76/354734776.db2.gz OITJWOWJSSYWDR-UHFFFAOYSA-N 2 0 260.382 -0.055 20 0 CBADRP C[C@@H](C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[C@H](C)[NH3+] ZINC000565656190 354743328 /nfs/dbraw/zinc/74/33/28/354743328.db2.gz JLIVNSCCLAJCRM-AGIUHOORSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)COC1C[NH2+]C1 ZINC000567811714 354797920 /nfs/dbraw/zinc/79/79/20/354797920.db2.gz BFJNDFKLWXMOJZ-CMPLNLGQSA-N 2 0 255.362 -0.227 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000567817053 354798743 /nfs/dbraw/zinc/79/87/43/354798743.db2.gz GPAOAZGBDKPJAO-NWDGAFQWSA-N 2 0 286.445 -0.427 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000567817174 354799228 /nfs/dbraw/zinc/79/92/28/354799228.db2.gz WGXWCIBSUQBAJG-MCIONIFRSA-N 2 0 280.416 -0.119 20 0 CBADRP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@H](C[NH3+])C1CC1 ZINC000567847198 354800930 /nfs/dbraw/zinc/80/09/30/354800930.db2.gz CJIYQASTAVPEJD-GHMZBOCLSA-N 2 0 268.361 -0.950 20 0 CBADRP C[C@H](C[NH3+])C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000567846476 354800985 /nfs/dbraw/zinc/80/09/85/354800985.db2.gz CVSIBTSOVNZDHU-PNESKVBLSA-N 2 0 268.405 -0.086 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[N@H+](CC[C@@H]3CCCO3)CCN2C1=O ZINC000568782809 354833099 /nfs/dbraw/zinc/83/30/99/354833099.db2.gz FFUMFAWWNLWTIM-SDDRHHMPSA-N 2 0 253.346 -0.201 20 0 CBADRP O[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)Cn1cccn1 ZINC000567875759 354802722 /nfs/dbraw/zinc/80/27/22/354802722.db2.gz KUUKSGXUUTYTNF-CHWSQXEVSA-N 2 0 268.361 -0.710 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000567908164 354803913 /nfs/dbraw/zinc/80/39/13/354803913.db2.gz ZEKKIZCVOBPBKU-FOGDFJRCSA-N 2 0 270.377 -0.718 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000567911005 354805523 /nfs/dbraw/zinc/80/55/23/354805523.db2.gz LCDOEWULLNEYEJ-GRYCIOLGSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H](NC(=O)CCOC1C[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000568076352 354809656 /nfs/dbraw/zinc/80/96/56/354809656.db2.gz GCHLPUGHJITBHF-MNOVXSKESA-N 2 0 255.362 -0.131 20 0 CBADRP CC[C@H](CO)[NH+]1CCN(C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000568165675 354812218 /nfs/dbraw/zinc/81/22/18/354812218.db2.gz UHUNZDKEUAUYRM-KGLIPLIRSA-N 2 0 273.421 -0.313 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1C[C@@H](C)[NH+](CCO)C[C@H]1C ZINC000568181146 354814650 /nfs/dbraw/zinc/81/46/50/354814650.db2.gz LXBCISCMXYWZGI-MCIONIFRSA-N 2 0 273.421 -0.314 20 0 CBADRP O=C(CC[NH2+]C1CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000568231648 354817034 /nfs/dbraw/zinc/81/70/34/354817034.db2.gz ZDSAMQIOBLTVPH-ZDUSSCGKSA-N 2 0 266.389 -0.365 20 0 CBADRP CC(C)[C@@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@@H](C)[NH3+] ZINC000568264715 354819201 /nfs/dbraw/zinc/81/92/01/354819201.db2.gz UEXDGHNPSKGZOF-NXEZZACHSA-N 2 0 295.391 -0.228 20 0 CBADRP CC[NH+](CC)CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000568286789 354820099 /nfs/dbraw/zinc/82/00/99/354820099.db2.gz GQVGDFFVSJWNGM-NEPJUHHUSA-N 2 0 297.403 -0.718 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000568389415 354822026 /nfs/dbraw/zinc/82/20/26/354822026.db2.gz IMSNPQPVWFWHBB-CMPLNLGQSA-N 2 0 255.362 -0.036 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000568390414 354822204 /nfs/dbraw/zinc/82/22/04/354822204.db2.gz MGEWYGMNXVTOIC-NWDGAFQWSA-N 2 0 267.373 -0.177 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000568382216 354822375 /nfs/dbraw/zinc/82/23/75/354822375.db2.gz SNDXELWQXBKFIE-KIJLLGNVSA-N 2 0 267.373 -0.051 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CCC[NH3+] ZINC000568535082 354827746 /nfs/dbraw/zinc/82/77/46/354827746.db2.gz QBDYAAVMMZAVKM-GFCCVEGCSA-N 2 0 271.409 -0.388 20 0 CBADRP COC[C@@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000568619428 354827862 /nfs/dbraw/zinc/82/78/62/354827862.db2.gz BWXZTYXXRJJXRS-MJBXVCDLSA-N 2 0 272.389 -0.039 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000568750017 354830496 /nfs/dbraw/zinc/83/04/96/354830496.db2.gz RNHXUNLXXQPTME-MCIONIFRSA-N 3 0 280.416 -0.275 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1CC[NH2+]1 ZINC000568746144 354830508 /nfs/dbraw/zinc/83/05/08/354830508.db2.gz NBUVLYVBCZLSDD-GFCCVEGCSA-N 2 0 254.378 -0.556 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)CCCO1 ZINC000567732817 354795280 /nfs/dbraw/zinc/79/52/80/354795280.db2.gz WVJSTSKKIBEBNX-GHMZBOCLSA-N 2 0 273.402 -0.342 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000567772274 354796448 /nfs/dbraw/zinc/79/64/48/354796448.db2.gz NAFAXKFRDHRYJK-RYUDHWBXSA-N 2 0 292.387 -0.146 20 0 CBADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000570715657 354867804 /nfs/dbraw/zinc/86/78/04/354867804.db2.gz LYCCKGUZOPGZDA-YDHLFZDLSA-N 2 0 278.400 -0.508 20 0 CBADRP CC[NH+]1CCC(C[NH2+]CCC(=O)NC(N)=O)CC1 ZINC000571790514 354879898 /nfs/dbraw/zinc/87/98/98/354879898.db2.gz RYGJWYFXJNYRCN-UHFFFAOYSA-N 2 0 256.350 -0.107 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000571778521 354879800 /nfs/dbraw/zinc/87/98/00/354879800.db2.gz MKWXPCDPBYTUOH-JQWIXIFHSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)c2cn(CCC[NH3+])nn2)[C@H]1C ZINC000569224956 354840135 /nfs/dbraw/zinc/84/01/35/354840135.db2.gz JCQPHWCYSJMSNV-UWVGGRQHSA-N 2 0 266.349 -0.551 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(COC)CC[NH2+]C2)C1 ZINC000569218299 354840187 /nfs/dbraw/zinc/84/01/87/354840187.db2.gz YSMZFDXCTUMHEE-JSGCOSHPSA-N 2 0 285.388 -0.551 20 0 CBADRP C[C@H]1[NH2+]CCN(C(=O)c2cn(CCC[NH3+])nn2)[C@@H]1C ZINC000569224951 354840215 /nfs/dbraw/zinc/84/02/15/354840215.db2.gz JCQPHWCYSJMSNV-NXEZZACHSA-N 2 0 266.349 -0.551 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000569721208 354844910 /nfs/dbraw/zinc/84/49/10/354844910.db2.gz MLIXPBXEQQTDQZ-NEPJUHHUSA-N 2 0 254.378 -0.652 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000569865839 354848385 /nfs/dbraw/zinc/84/83/85/354848385.db2.gz SZWNDTCCSGYHHP-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP CCOC[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000569960523 354850883 /nfs/dbraw/zinc/85/08/83/354850883.db2.gz KQPQTRHSJJFPGF-STQMWFEESA-N 2 0 287.404 -0.439 20 0 CBADRP CN(C)C(=O)CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000569972789 354851348 /nfs/dbraw/zinc/85/13/48/354851348.db2.gz VYBFEOISCAETEY-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CCC([NH2+]CC2CC2)CC1 ZINC000569967263 354851849 /nfs/dbraw/zinc/85/18/49/354851849.db2.gz HJLDYBCKERVYOB-UHFFFAOYSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000572124207 354887257 /nfs/dbraw/zinc/88/72/57/354887257.db2.gz MJJDZJWGORFCOB-BETUJISGSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000572347027 354891453 /nfs/dbraw/zinc/89/14/53/354891453.db2.gz PJZQAOBAAWISGX-TUAOUCFPSA-N 2 0 254.378 -0.524 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000572501809 354893566 /nfs/dbraw/zinc/89/35/66/354893566.db2.gz VCRULVLIINLLKD-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000572641083 354893928 /nfs/dbraw/zinc/89/39/28/354893928.db2.gz ORACICAKTWOTKQ-DTWKUNHWSA-N 2 0 263.288 -0.522 20 0 CBADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC(=O)N1CC[NH2+]CC1 ZINC000572749322 354896581 /nfs/dbraw/zinc/89/65/81/354896581.db2.gz UWLXICBIALVQQO-UKRRQHHQSA-N 2 0 290.411 -0.034 20 0 CBADRP COC[C@@]1(CNC(=O)[C@@H]([NH3+])C2CCC2)CCC[NH2+]1 ZINC000572760512 354897129 /nfs/dbraw/zinc/89/71/29/354897129.db2.gz UAFYDFVSYZSJRB-AAEUAGOBSA-N 2 0 255.362 -0.001 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NCC[N@@H+]1CCCOCC1 ZINC000572958984 354900651 /nfs/dbraw/zinc/90/06/51/354900651.db2.gz VXEDVBPVZIFHNA-NSHDSACASA-N 2 0 259.350 -0.811 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000572999142 354902730 /nfs/dbraw/zinc/90/27/30/354902730.db2.gz IAGZIZFIUSOTCG-HOSYDEDBSA-N 2 0 260.382 -0.276 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CCOC3C[NH2+]C3)C[C@H]21 ZINC000572991964 354903081 /nfs/dbraw/zinc/90/30/81/354903081.db2.gz IDDDHAWZEQDLMS-RAIGVLPGSA-N 2 0 267.373 -0.049 20 0 CBADRP [NH3+][C@@H](C(=O)NCC[C@H]1CCC[NH2+]1)C1CCOCC1 ZINC000573117674 354905903 /nfs/dbraw/zinc/90/59/03/354905903.db2.gz LSZBIHDTJJXMSY-VXGBXAGGSA-N 2 0 255.362 -0.001 20 0 CBADRP CNS(=O)(=O)NC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000573206969 354906797 /nfs/dbraw/zinc/90/67/97/354906797.db2.gz WPWHBSPXXIMCBY-UHFFFAOYSA-N 2 0 290.433 -0.496 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000573204211 354907103 /nfs/dbraw/zinc/90/71/03/354907103.db2.gz OINHDHZGMSOPBW-PWSUYJOCSA-N 2 0 253.346 -0.425 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000573241966 354907588 /nfs/dbraw/zinc/90/75/88/354907588.db2.gz WJBHHSXGTKWGGD-VXGBXAGGSA-N 2 0 296.415 -0.170 20 0 CBADRP COCC1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]CC1 ZINC000573247086 354909313 /nfs/dbraw/zinc/90/93/13/354909313.db2.gz YARWNXLNKVLWGR-TXEJJXNPSA-N 2 0 267.373 -0.320 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000573442402 354913313 /nfs/dbraw/zinc/91/33/13/354913313.db2.gz ZLDSMICMXSREEJ-QWRGUYRKSA-N 2 0 271.361 -0.181 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(CO)CCCC2)CC1 ZINC000573565057 354915567 /nfs/dbraw/zinc/91/55/67/354915567.db2.gz QWTUGBMMRPFXDK-CQSZACIVSA-N 2 0 285.432 -0.263 20 0 CBADRP C[C@H]([NH3+])CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000571801970 354880914 /nfs/dbraw/zinc/88/09/14/354880914.db2.gz BEAVUMFLDQGBOD-AVGNSLFASA-N 3 0 268.405 -0.086 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000571882588 354882159 /nfs/dbraw/zinc/88/21/59/354882159.db2.gz LMOLADRPHLGOBV-NWDGAFQWSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000571917866 354882922 /nfs/dbraw/zinc/88/29/22/354882922.db2.gz LBGJJFUGWDSSFD-SRVKXCTJSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000571917861 354883093 /nfs/dbraw/zinc/88/30/93/354883093.db2.gz LBGJJFUGWDSSFD-QJPTWQEYSA-N 2 0 255.362 -0.049 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000573743667 354921004 /nfs/dbraw/zinc/92/10/04/354921004.db2.gz XJQWQXRIPOZEAQ-WDEREUQCSA-N 2 0 256.350 -0.632 20 0 CBADRP C[C@H](CNC(=O)C[NH2+]C1CC1)N1CC[NH+](C)CC1 ZINC000573916962 354923845 /nfs/dbraw/zinc/92/38/45/354923845.db2.gz GDBJFAOOIAVTOT-LLVKDONJSA-N 2 0 254.378 -0.510 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000574042979 354927659 /nfs/dbraw/zinc/92/76/59/354927659.db2.gz WBOHHSZOVVIXIB-UMNHJUIQSA-N 2 0 270.377 -0.671 20 0 CBADRP CN1CCN(C(=O)CCCN2C(=O)CCC2=O)[C@H](C[NH3+])C1 ZINC000574079142 354928168 /nfs/dbraw/zinc/92/81/68/354928168.db2.gz KDVDLWYAHCVWRV-LLVKDONJSA-N 2 0 296.371 -0.983 20 0 CBADRP C[C@@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)N1CC[NH+](C)CC1 ZINC000574086587 354928258 /nfs/dbraw/zinc/92/82/58/354928258.db2.gz HNBUBSJEPOMIQP-SCRDCRAPSA-N 2 0 266.389 -0.510 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)NCC1CC[NH2+]CC1 ZINC000574150006 354929425 /nfs/dbraw/zinc/92/94/25/354929425.db2.gz ODFDMHAUZMLWOK-LBPRGKRZSA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH+](C)CCCN1C(=O)C[C@@H]([NH2+]CC2(O)CCCC2)C1=O ZINC000577645940 354938250 /nfs/dbraw/zinc/93/82/50/354938250.db2.gz AQFWRHBDGULHJO-GFCCVEGCSA-N 2 0 297.399 -0.040 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000579092211 354960842 /nfs/dbraw/zinc/96/08/42/354960842.db2.gz ZXBSAKTXQQNEDX-JTQLQIEISA-N 2 0 268.361 -0.935 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000578196518 354941117 /nfs/dbraw/zinc/94/11/17/354941117.db2.gz LEKIKHVWVDDFIV-CQSZACIVSA-N 2 0 297.447 -0.966 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000343871560 291046695 /nfs/dbraw/zinc/04/66/95/291046695.db2.gz LVZYVJWKPPEIRH-GHMZBOCLSA-N 2 0 287.360 -0.944 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)c1cnn(C)c1 ZINC000578321116 354942898 /nfs/dbraw/zinc/94/28/98/354942898.db2.gz VEPUTCQCDSJLJR-GVXVVHGQSA-N 2 0 277.372 -0.252 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000578356874 354945217 /nfs/dbraw/zinc/94/52/17/354945217.db2.gz HQFAYKXPZAAJGL-UWVGGRQHSA-N 2 0 266.349 -0.503 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000578442550 354945550 /nfs/dbraw/zinc/94/55/50/354945550.db2.gz XGZZAYIXXQQEFO-STQMWFEESA-N 2 0 293.371 -0.474 20 0 CBADRP C[NH2+]CC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000578766447 354954387 /nfs/dbraw/zinc/95/43/87/354954387.db2.gz URWSNHBIOCFIFT-CYBMUJFWSA-N 2 0 268.405 -0.167 20 0 CBADRP C[NH2+][C@H](C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)c1cnn(C)c1 ZINC000578890079 354957198 /nfs/dbraw/zinc/95/71/98/354957198.db2.gz DUUGGZUUAZKNBA-UMNHJUIQSA-N 2 0 265.361 -0.124 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000578895493 354958420 /nfs/dbraw/zinc/95/84/20/354958420.db2.gz UBURYKFXWLGHDY-CQSZACIVSA-N 2 0 298.431 -0.491 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)[C@@H]2C1 ZINC000579105935 354962042 /nfs/dbraw/zinc/96/20/42/354962042.db2.gz KEBFAMPCMXKVPV-JHJVBQTASA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000579122740 354963336 /nfs/dbraw/zinc/96/33/36/354963336.db2.gz KTXVMFDBACACNZ-OLZOCXBDSA-N 2 0 268.405 -0.180 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C[NH3+])cc1 ZINC000579225032 354964987 /nfs/dbraw/zinc/96/49/87/354964987.db2.gz WHSBXDOZUSAVFM-UHFFFAOYSA-N 2 0 290.367 -0.351 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[N@H+](C[C@@H]3CCSC3)CCN2C1=O ZINC000579259611 354967484 /nfs/dbraw/zinc/96/74/84/354967484.db2.gz XWULAFZTZYYHPO-GARJFASQSA-N 2 0 255.387 -0.017 20 0 CBADRP C[NH2+][C@@H](C(=O)N1CC[C@@H]([NH2+]C)C1)c1cnn(C)c1 ZINC000579351088 354968287 /nfs/dbraw/zinc/96/82/87/354968287.db2.gz BAFUFVOODLIFSE-GHMZBOCLSA-N 2 0 251.334 -0.499 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)C1 ZINC000579371768 354969337 /nfs/dbraw/zinc/96/93/37/354969337.db2.gz XFDWSFJIRJTYGJ-ZDUSSCGKSA-N 2 0 296.415 -0.439 20 0 CBADRP COC[C@]1(CNC(=O)C[NH2+]C[C@@H]2CCCO2)CCC[NH2+]1 ZINC000579464294 354970151 /nfs/dbraw/zinc/97/01/51/354970151.db2.gz JWPXDCTUVFLONC-GXTWGEPZSA-N 2 0 285.388 -0.360 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@H](C)N2CCN(C)CC2)C1 ZINC000579474794 354971376 /nfs/dbraw/zinc/97/13/76/354971376.db2.gz OCUFXJGLPCQNLE-NWDGAFQWSA-N 2 0 254.378 -0.557 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)CCC[NH3+] ZINC000579854065 354981761 /nfs/dbraw/zinc/98/17/61/354981761.db2.gz MBMIPVNKAVAGIZ-LLVKDONJSA-N 2 0 272.393 -0.360 20 0 CBADRP [NH3+]C[C@@H]1CN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000580075816 354988241 /nfs/dbraw/zinc/98/82/41/354988241.db2.gz ZMQDPVKBPDXSBH-ILXRZTDVSA-N 2 0 279.384 -0.423 20 0 CBADRP [NH3+][C@H](CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000580174234 354988965 /nfs/dbraw/zinc/98/89/65/354988965.db2.gz XLHUTUPBXDANQI-VXGBXAGGSA-N 2 0 280.372 -0.854 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H]2C[NH2+]CCCO2)CC[NH2+]C1 ZINC000580192760 354989571 /nfs/dbraw/zinc/98/95/71/354989571.db2.gz FPWUBFHUBKJNSI-DGCLKSJQSA-N 2 0 271.361 -0.893 20 0 CBADRP COC[C@]1(C(=O)NCCNc2cc[nH+]cc2)CC[NH2+]C1 ZINC000581009758 355003789 /nfs/dbraw/zinc/00/37/89/355003789.db2.gz VSRGFLNVYRQCKU-AWEZNQCLSA-N 2 0 278.356 -0.342 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000580784324 354999065 /nfs/dbraw/zinc/99/90/65/354999065.db2.gz UPDKSAVMQGVKKM-CQSZACIVSA-N 2 0 269.389 -0.099 20 0 CBADRP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CC[NH2+]CC1 ZINC000580892737 355001009 /nfs/dbraw/zinc/00/10/09/355001009.db2.gz KDBKMAHAHGSPRX-OKILXGFUSA-N 3 0 252.406 -0.177 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@H](C[NH3+])C1 ZINC000584519393 355030806 /nfs/dbraw/zinc/03/08/06/355030806.db2.gz HMVKFYNNQVCAMP-DGCLKSJQSA-N 2 0 281.404 -0.493 20 0 CBADRP C[NH2+]C[C@@](C)(O)CN1CCC([NH2+]CCOC)CC1 ZINC000584634912 355033474 /nfs/dbraw/zinc/03/34/74/355033474.db2.gz QETFXROHZDHELM-CYBMUJFWSA-N 2 0 259.394 -0.343 20 0 CBADRP CN(C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)C1CC([NH3+])C1 ZINC000584721236 355035915 /nfs/dbraw/zinc/03/59/15/355035915.db2.gz LQFKSEGSTWMPQQ-KTMJHZKESA-N 2 0 265.357 -0.251 20 0 CBADRP COC(=O)c1cn(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)nn1 ZINC000584789748 355038102 /nfs/dbraw/zinc/03/81/02/355038102.db2.gz ARWZKCQEHLCVSZ-ZJUUUORDSA-N 2 0 267.333 -0.076 20 0 CBADRP CC(C)OC[C@@H](O)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000584834873 355039251 /nfs/dbraw/zinc/03/92/51/355039251.db2.gz ZQELSVVVNCBXSY-KBPBESRZSA-N 2 0 273.421 -0.002 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000584839034 355040123 /nfs/dbraw/zinc/04/01/23/355040123.db2.gz CRJLGLYRHLDWHY-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP [NH3+][C@H]1C[C@@H]2C[N@H+](CCC3CC[NH2+]CC3)CCN2C1=O ZINC000584851598 355040606 /nfs/dbraw/zinc/04/06/06/355040606.db2.gz XLAHJKXFIBCTDB-OLZOCXBDSA-N 3 0 266.389 -0.380 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)[C@H]2C1 ZINC000418677621 283069831 /nfs/dbraw/zinc/06/98/31/283069831.db2.gz UUDOSSXXRBETFT-BNDIWNMDSA-N 2 0 264.373 -0.060 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000582073158 355007476 /nfs/dbraw/zinc/00/74/76/355007476.db2.gz UXJICUOTBMHAJY-CHWSQXEVSA-N 2 0 296.415 -0.168 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](C[C@@H]3CCCOC3)CCN2C1=O ZINC000582073661 355007682 /nfs/dbraw/zinc/00/76/82/355007682.db2.gz LWDZHJZZJBPDQW-QJPTWQEYSA-N 2 0 253.346 -0.343 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000582242680 355011399 /nfs/dbraw/zinc/01/13/99/355011399.db2.gz MRXVEIWUBGGGOL-SCVCMEIPSA-N 2 0 270.377 -0.800 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CCN2C1=O ZINC000582253001 355012519 /nfs/dbraw/zinc/01/25/19/355012519.db2.gz YQXKOVDHARHQKQ-VXGBXAGGSA-N 2 0 292.383 -0.615 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000582350474 355014878 /nfs/dbraw/zinc/01/48/78/355014878.db2.gz FBIMBNVEMSXPSZ-VXGBXAGGSA-N 2 0 294.399 -0.450 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H]1C[NH2+]CCN1C)[C@H](C)[NH3+] ZINC000582601233 355016660 /nfs/dbraw/zinc/01/66/60/355016660.db2.gz VZOOMIMEAXCZNH-TUAOUCFPSA-N 2 0 256.394 -0.374 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000583629863 355021354 /nfs/dbraw/zinc/02/13/54/355021354.db2.gz ONWPTAZWYUQFOZ-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000583995304 355027490 /nfs/dbraw/zinc/02/74/90/355027490.db2.gz DBLJTAFGTUNYCT-SDDRHHMPSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+][C@H](Cc1ccccc1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000584107957 355029399 /nfs/dbraw/zinc/02/93/99/355029399.db2.gz DQSGBCUJPVASCM-CHWSQXEVSA-N 2 0 263.341 -0.339 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000592547623 355161162 /nfs/dbraw/zinc/16/11/62/355161162.db2.gz IGSSYSKPXAZZCM-QWRGUYRKSA-N 2 0 269.345 -0.508 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000592552554 355162359 /nfs/dbraw/zinc/16/23/59/355162359.db2.gz IJZRPCYPGHUYDK-JGVFFNPUSA-N 2 0 279.287 -0.668 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000592552553 355162552 /nfs/dbraw/zinc/16/25/52/355162552.db2.gz IJZRPCYPGHUYDK-HTQZYQBOSA-N 2 0 279.287 -0.668 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000592553405 355162966 /nfs/dbraw/zinc/16/29/66/355162966.db2.gz KRASXQZJKDCQSW-UTLUCORTSA-N 2 0 257.334 -0.667 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CC[C@H](C)[NH3+] ZINC000592557575 355163672 /nfs/dbraw/zinc/16/36/72/355163672.db2.gz ZVXNAQLLQYRYTO-UWVGGRQHSA-N 2 0 257.334 -0.523 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000592135924 355132994 /nfs/dbraw/zinc/13/29/94/355132994.db2.gz YKNUGSXOLJMUBO-RYUDHWBXSA-N 2 0 283.372 -0.133 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C[C@@H]1CCC[NH2+]C1 ZINC000592434787 355154483 /nfs/dbraw/zinc/15/44/83/355154483.db2.gz PSEHPGSPEZQFKQ-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000592471048 355155671 /nfs/dbraw/zinc/15/56/71/355155671.db2.gz KNWORFDVUTWENP-VWYCJHECSA-N 2 0 271.361 -0.147 20 0 CBADRP CCNC(=O)NC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000592492522 355158159 /nfs/dbraw/zinc/15/81/59/355158159.db2.gz VHOVREXOHQKNMK-YPMHNXCESA-N 2 0 298.387 -0.340 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1F ZINC000593917852 355230610 /nfs/dbraw/zinc/23/06/10/355230610.db2.gz YSJQOQXVSATQJC-NSHDSACASA-N 2 0 283.303 -0.209 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000594186033 355237792 /nfs/dbraw/zinc/23/77/92/355237792.db2.gz IANHWVXDQHAVNQ-RYUDHWBXSA-N 2 0 255.362 -0.225 20 0 CBADRP CNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000593730164 355217181 /nfs/dbraw/zinc/21/71/81/355217181.db2.gz LALFQCSLTFHZSK-UTUOFQBUSA-N 2 0 298.387 -0.197 20 0 CBADRP CNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000593730161 355217245 /nfs/dbraw/zinc/21/72/45/355217245.db2.gz LALFQCSLTFHZSK-QJPTWQEYSA-N 2 0 298.387 -0.197 20 0 CBADRP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736264 355217392 /nfs/dbraw/zinc/21/73/92/355217392.db2.gz KTTAACBPRXQHBR-SRVKXCTJSA-N 2 0 298.387 -0.340 20 0 CBADRP COCC(C)(C)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594739786 355259510 /nfs/dbraw/zinc/25/95/10/355259510.db2.gz VEYLPKGODFFZFS-GHMZBOCLSA-N 2 0 255.362 -0.097 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594877937 355266809 /nfs/dbraw/zinc/26/68/09/355266809.db2.gz FMMXIXFFOGTEPZ-BJDJZHNGSA-N 2 0 280.372 -0.855 20 0 CBADRP CC(C)[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[C@H](C)[NH3+] ZINC000594877976 355266818 /nfs/dbraw/zinc/26/68/18/355266818.db2.gz JKNQDHLOQISGPJ-YFKTTZPYSA-N 2 0 282.388 -0.624 20 0 CBADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594878147 355267316 /nfs/dbraw/zinc/26/73/16/355267316.db2.gz PUEGFRNYVPJQKP-QJPTWQEYSA-N 2 0 294.399 -0.465 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594880426 355267685 /nfs/dbraw/zinc/26/76/85/355267685.db2.gz MNRBRGSKCFSAES-BJDJZHNGSA-N 2 0 280.372 -0.868 20 0 CBADRP CCC(CC)(C[NH3+])C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594879700 355267767 /nfs/dbraw/zinc/26/77/67/355267767.db2.gz JUABFKROHFQQMV-QWRGUYRKSA-N 2 0 282.388 -0.478 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594885732 355268191 /nfs/dbraw/zinc/26/81/91/355268191.db2.gz HMJKDVSWWDUIJT-IJLUTSLNSA-N 2 0 280.372 -0.759 20 0 CBADRP COC(=O)CCN1CCC[C@@H]([N@@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000595892805 355314292 /nfs/dbraw/zinc/31/42/92/355314292.db2.gz NYXAMXNCFOEBTD-NWDGAFQWSA-N 2 0 283.372 -0.179 20 0 CBADRP NC(=O)NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595900255 355315619 /nfs/dbraw/zinc/31/56/19/355315619.db2.gz CQVZBTIQRZYFCW-LLVKDONJSA-N 2 0 268.361 -0.107 20 0 CBADRP COC(=O)[C@H]1C[C@@H]([N@H+](C)CCC(=O)N2CC[NH2+]CC2)C1 ZINC000595904553 355317609 /nfs/dbraw/zinc/31/76/09/355317609.db2.gz FTZJSZBEVUWXQU-TXEJJXNPSA-N 2 0 283.372 -0.308 20 0 CBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3)C2)CC1 ZINC000595954144 355327310 /nfs/dbraw/zinc/32/73/10/355327310.db2.gz GQFWSXJUCJYMHM-IHRRRGAJSA-N 2 0 280.416 -0.038 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCCC[NH2+]C3)CCN2C1=O ZINC000595266658 355276569 /nfs/dbraw/zinc/27/65/69/355276569.db2.gz AZIDNSLNVKFLBQ-IJLUTSLNSA-N 2 0 295.387 -0.918 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595268490 355277080 /nfs/dbraw/zinc/27/70/80/355277080.db2.gz VMJCKACJRIHOJN-QCNOEVLYSA-N 2 0 295.387 -0.933 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595268502 355277145 /nfs/dbraw/zinc/27/71/45/355277145.db2.gz VMJCKACJRIHOJN-YFKTTZPYSA-N 2 0 295.387 -0.933 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CCCC[NH2+]3)CCN2C1=O ZINC000595267901 355277247 /nfs/dbraw/zinc/27/72/47/355277247.db2.gz PCUCCILNFKMYLG-QJPTWQEYSA-N 2 0 295.387 -0.918 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C[C@]12C[C@H]1C[NH2+]C2 ZINC000596102357 355343972 /nfs/dbraw/zinc/34/39/72/355343972.db2.gz AKMLUKBMBUDTFL-GMXVVIOVSA-N 2 0 253.346 -0.567 20 0 CBADRP CS[C@@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@H]1[NH+](C)C ZINC000599060345 355461729 /nfs/dbraw/zinc/46/17/29/355461729.db2.gz QRQROCJBCZZVPH-RNFRBKRXSA-N 2 0 269.378 -0.821 20 0 CBADRP COC(=O)CCCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000600712034 355562057 /nfs/dbraw/zinc/56/20/57/355562057.db2.gz VOHYPKMXEHGLLO-WDEREUQCSA-N 2 0 269.345 -0.427 20 0 CBADRP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)CCOCC[NH3+] ZINC000600737422 355564286 /nfs/dbraw/zinc/56/42/86/355564286.db2.gz VGZQAWDEIWJEBX-SNVBAGLBSA-N 2 0 288.392 -0.094 20 0 CBADRP COCCCS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000602255479 355642779 /nfs/dbraw/zinc/64/27/79/355642779.db2.gz RNJJWLUVJLGREH-UHFFFAOYSA-N 2 0 295.449 -0.222 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000602528033 355658182 /nfs/dbraw/zinc/65/81/82/355658182.db2.gz ATEZARSKISGPQB-IUCAKERBSA-N 2 0 255.318 -0.722 20 0 CBADRP C[S@](=O)C1(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC[NH2+]CC1 ZINC000602533311 355658202 /nfs/dbraw/zinc/65/82/02/355658202.db2.gz WMLSOVQVJJAHBQ-RZZGRXHGSA-N 2 0 299.440 -0.173 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000602532001 355658404 /nfs/dbraw/zinc/65/84/04/355658404.db2.gz ZALMBINLGHESOC-QWRGUYRKSA-N 2 0 280.372 -0.901 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000602528995 355658533 /nfs/dbraw/zinc/65/85/33/355658533.db2.gz DJVUCSGHZNRJRX-ZJUUUORDSA-N 2 0 269.345 -0.332 20 0 CBADRP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000602023653 355625865 /nfs/dbraw/zinc/62/58/65/355625865.db2.gz ZFDLNVNVRJWFFE-XWLWVQCSSA-N 2 0 271.361 -0.230 20 0 CBADRP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000602020442 355626149 /nfs/dbraw/zinc/62/61/49/355626149.db2.gz LBPNLPUKNOWXOS-KATARQTJSA-N 2 0 259.350 -0.232 20 0 CBADRP COC(=O)[C@H]1CN(C(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+](C)C1 ZINC000602164643 355636266 /nfs/dbraw/zinc/63/62/66/355636266.db2.gz VZCOGJVIEKJJHX-CHWSQXEVSA-N 2 0 297.399 -0.109 20 0 CBADRP COC(=O)[C@@H]1CN(C(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+](C)C1 ZINC000602164644 355637325 /nfs/dbraw/zinc/63/73/25/355637325.db2.gz VZCOGJVIEKJJHX-OLZOCXBDSA-N 2 0 297.399 -0.109 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@H](C)O)CC1 ZINC000607754914 355748243 /nfs/dbraw/zinc/74/82/43/355748243.db2.gz FFOYYBJCZBMLNG-NSHDSACASA-N 2 0 257.378 -0.101 20 0 CBADRP COC(=O)CN(C)C(=O)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000609536190 355770491 /nfs/dbraw/zinc/77/04/91/355770491.db2.gz DZANUKGJSGHZQF-GHMZBOCLSA-N 2 0 269.345 -0.841 20 0 CBADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419126024 295907809 /nfs/dbraw/zinc/90/78/09/295907809.db2.gz VEVUYWDXTXZKOZ-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000612887600 355854756 /nfs/dbraw/zinc/85/47/56/355854756.db2.gz QREZKGDAPIXEDN-UKRRQHHQSA-N 2 0 297.447 -0.079 20 0 CBADRP COC[C@@]1(CNC(=O)N[C@@]2(C)CC[NH2+]C2)CCC[NH2+]1 ZINC000612926943 355857174 /nfs/dbraw/zinc/85/71/74/355857174.db2.gz NVSSHWLSWRZMCE-STQMWFEESA-N 2 0 270.377 -0.194 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000612979700 355858771 /nfs/dbraw/zinc/85/87/71/355858771.db2.gz IYHUHPFGBZTFOO-BXUZGUMPSA-N 2 0 282.388 -0.506 20 0 CBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000612992396 355859851 /nfs/dbraw/zinc/85/98/51/355859851.db2.gz FHINGTVBFPWPEA-TUAOUCFPSA-N 2 0 264.373 -0.011 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CCCO1 ZINC000612994817 355860773 /nfs/dbraw/zinc/86/07/73/355860773.db2.gz VRJCPBZUSTYJGN-RYUDHWBXSA-N 2 0 282.388 -0.112 20 0 CBADRP O[C@H](COC[C@@H]1CCCO1)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613210950 355872900 /nfs/dbraw/zinc/87/29/00/355872900.db2.gz UPQCRRPCPRZPKQ-XUXIUFHCSA-N 2 0 270.373 -0.306 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000614847671 355989491 /nfs/dbraw/zinc/98/94/91/355989491.db2.gz NEGJIBLJBKEUPU-GRYCIOLGSA-N 2 0 257.378 -0.102 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000614506870 355965834 /nfs/dbraw/zinc/96/58/34/355965834.db2.gz JYAWMFGTFXCUGL-CHWSQXEVSA-N 2 0 266.389 -0.413 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000614507499 355965959 /nfs/dbraw/zinc/96/59/59/355965959.db2.gz POKLTUSIXIRHSJ-AWEZNQCLSA-N 2 0 280.416 -0.166 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+]3CCN2CCC3)CC[N@@H+]1C ZINC000614514886 355967481 /nfs/dbraw/zinc/96/74/81/355967481.db2.gz QKODNHNUHLSRCE-MGPQQGTHSA-N 2 0 280.416 -0.167 20 0 CBADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000615313284 356020916 /nfs/dbraw/zinc/02/09/16/356020916.db2.gz HXGVKIMLBSDVCE-MGPQQGTHSA-N 2 0 280.416 -0.073 20 0 CBADRP C[NH+](C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[NH+](C)C ZINC000616781728 356113674 /nfs/dbraw/zinc/11/36/74/356113674.db2.gz UBIHVANMDFVGON-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](C(=O)NCCN(C)CCC[NH+](C)C)[NH+](C)C ZINC000617765760 356156335 /nfs/dbraw/zinc/15/63/35/356156335.db2.gz PJIHFTLQHQBYHJ-LBPRGKRZSA-N 2 0 258.410 -0.064 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000619898074 356230797 /nfs/dbraw/zinc/23/07/97/356230797.db2.gz QFRSMCCAHRWQOY-UONOGXRCSA-N 2 0 280.416 -0.023 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621621278 356278400 /nfs/dbraw/zinc/27/84/00/356278400.db2.gz XTDKBHWGZZFCEL-ZDUSSCGKSA-N 2 0 296.415 -0.344 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621680893 356279969 /nfs/dbraw/zinc/27/99/69/356279969.db2.gz JZSTXZQDSNGDFF-MDZLAQPJSA-N 2 0 254.378 -0.395 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)nn1 ZINC000621679964 356280086 /nfs/dbraw/zinc/28/00/86/356280086.db2.gz YUSGYBJQTBVZEE-CABZTGNLSA-N 2 0 264.333 -0.810 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)nn1 ZINC000621679965 356280112 /nfs/dbraw/zinc/28/01/12/356280112.db2.gz YUSGYBJQTBVZEE-JOYOIKCWSA-N 2 0 264.333 -0.810 20 0 CBADRP O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@H]1C[NH2+]CCO1 ZINC000621665117 356280130 /nfs/dbraw/zinc/28/01/30/356280130.db2.gz QVQRBGAZXBMAIW-NWDGAFQWSA-N 2 0 255.362 -0.129 20 0 CBADRP COC[C@]1(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC[NH2+]C1 ZINC000621683080 356280569 /nfs/dbraw/zinc/28/05/69/356280569.db2.gz PKKMRUIKPSDMFT-XBFCOCLRSA-N 2 0 267.373 -0.048 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000620478632 356244559 /nfs/dbraw/zinc/24/45/59/356244559.db2.gz ZRTXEJCCZGZDBF-JSGCOSHPSA-N 2 0 281.400 -0.004 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)nn1 ZINC000621682220 356280637 /nfs/dbraw/zinc/28/06/37/356280637.db2.gz BRTZWHXWTLWAGX-BXUZGUMPSA-N 2 0 292.387 -0.030 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)nn1 ZINC000621682642 356280700 /nfs/dbraw/zinc/28/07/00/356280700.db2.gz JIMZHKQSAMTMJU-ZWNOBZJWSA-N 2 0 278.360 -0.420 20 0 CBADRP C[C@@H]1[C@@H](C)N(C(=O)C[NH+](C)C)CCN1C(=O)C[NH+](C)C ZINC000620748098 356248663 /nfs/dbraw/zinc/24/86/63/356248663.db2.gz XHDRUHPQPBKOBV-VXGBXAGGSA-N 2 0 284.404 -0.443 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621838100 356288816 /nfs/dbraw/zinc/28/88/16/356288816.db2.gz XNIYMTADMPNFPC-IAQYHMDHSA-N 2 0 294.399 -0.463 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)C1CC1 ZINC000621839030 356289101 /nfs/dbraw/zinc/28/91/01/356289101.db2.gz MWLGLXLBHQYBGL-IAQYHMDHSA-N 2 0 294.399 -0.463 20 0 CBADRP Nc1nc(NC[C@H](c2ccco2)[NH+]2CCCC2)nc(N)[nH+]1 ZINC000623799105 356376222 /nfs/dbraw/zinc/37/62/22/356376222.db2.gz PGTAGPJRUJRUEZ-SECBINFHSA-N 2 0 289.343 -0.039 20 0 CBADRP C[NH+](C)[C@@H](CNc1nc(N)[nH+]c(N)n1)c1cccc(F)c1 ZINC000623799850 356376267 /nfs/dbraw/zinc/37/62/67/356376267.db2.gz PRXPNHIRMYTADD-JTQLQIEISA-N 2 0 291.334 -0.027 20 0 CBADRP CC(C)C[C@H](CNc1nc(N)[nH+]c(N)n1)[NH+](C)C ZINC000623833473 356377680 /nfs/dbraw/zinc/37/76/80/356377680.db2.gz HPPWDZBYZPVCBC-MRVPVSSYSA-N 2 0 253.354 -0.493 20 0 CBADRP CCCC[NH+]1CCC(Nc2nc(N)[nH+]c(N)n2)CC1 ZINC000623868793 356380686 /nfs/dbraw/zinc/38/06/86/356380686.db2.gz HORFBACBUMWCSA-UHFFFAOYSA-N 2 0 265.365 -0.205 20 0 CBADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1nc(N)[nH+]c(N)n1 ZINC000623887405 356381533 /nfs/dbraw/zinc/38/15/33/356381533.db2.gz AYPVJHOPUIWLIR-BBBLOLIVSA-N 2 0 279.392 -0.103 20 0 CBADRP C[C@H]1C[C@H](N(C)c2nc(N)[nH+]c(N)n2)CC[N@@H+]1C ZINC000623991985 356386290 /nfs/dbraw/zinc/38/62/90/356386290.db2.gz YIDAIAWDPFAGMB-JGVFFNPUSA-N 2 0 251.338 -0.384 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)Nc1nc(N)[nH+]c(N)n1 ZINC000623976730 356386578 /nfs/dbraw/zinc/38/65/78/356386578.db2.gz SWLZZONGIXYPPX-MRVPVSSYSA-N 2 0 251.338 -0.595 20 0 CBADRP C[C@@H]1C[C@H](N(C)c2nc(N)[nH+]c(N)n2)CC[N@@H+]1C ZINC000623991984 356386710 /nfs/dbraw/zinc/38/67/10/356386710.db2.gz YIDAIAWDPFAGMB-HTQZYQBOSA-N 2 0 251.338 -0.384 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1nc(N)[nH+]c(N)n1 ZINC000624024286 356390977 /nfs/dbraw/zinc/39/09/77/356390977.db2.gz CENMGEMHCIFOAI-SFYZADRCSA-N 2 0 251.338 -0.527 20 0 CBADRP C[N@@H+]1CC[C@H](Nc2nc(N)[nH+]c(N)n2)[C@@H]1c1ccccc1 ZINC000624068515 356395452 /nfs/dbraw/zinc/39/54/52/356395452.db2.gz YFNVIPVUUAHFAC-QWRGUYRKSA-N 2 0 285.355 -0.024 20 0 CBADRP C[C@H](CCNc1nc(N)[nH+]c(N)n1)[NH+]1CCCCC1 ZINC000624099549 356397038 /nfs/dbraw/zinc/39/70/38/356397038.db2.gz VENDWHXSUQTFPI-SECBINFHSA-N 2 0 265.365 -0.205 20 0 CBADRP CN(CC1([NH+](C)C)CCC1)c1nc(N)[nH+]c(N)n1 ZINC000624145289 356399230 /nfs/dbraw/zinc/39/92/30/356399230.db2.gz SHXSCDREIRUBNX-UHFFFAOYSA-N 2 0 251.338 -0.383 20 0 CBADRP Nc1nc(NCC2CC[NH+](CC3CC3)CC2)nc(N)[nH+]1 ZINC000624411191 356421107 /nfs/dbraw/zinc/42/11/07/356421107.db2.gz YRYMQTNNFIBYRW-UHFFFAOYSA-N 2 0 277.376 -0.347 20 0 CBADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624220960 356404554 /nfs/dbraw/zinc/40/45/54/356404554.db2.gz KMBRMNGOABMDDI-RKDXNWHRSA-N 2 0 263.349 -0.240 20 0 CBADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1nc(N)[nH+]c(N)n1 ZINC000624212696 356404562 /nfs/dbraw/zinc/40/45/62/356404562.db2.gz STMPRKRKZDEFDX-RKDXNWHRSA-N 2 0 263.349 -0.240 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000624217779 356404704 /nfs/dbraw/zinc/40/47/04/356404704.db2.gz IGMWGCNFFZGMCV-QMMMGPOBSA-N 2 0 251.338 -0.595 20 0 CBADRP C[N@@H+]1CCC[C@]2(CCN(c3nc(N)[nH+]c(N)n3)C2)C1 ZINC000624245436 356406171 /nfs/dbraw/zinc/40/61/71/356406171.db2.gz DFOCBZXKKNZBNT-LBPRGKRZSA-N 2 0 263.349 -0.381 20 0 CBADRP CC(C)(C[NH+]1CCCC1)Nc1nc(N)[nH+]c(N)n1 ZINC000624266442 356408753 /nfs/dbraw/zinc/40/87/53/356408753.db2.gz NSVAQWRUEPXJGV-UHFFFAOYSA-N 2 0 251.338 -0.017 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(=O)[nH]cn1 ZINC000625286516 356456718 /nfs/dbraw/zinc/45/67/18/356456718.db2.gz HTRMTHTUGLNHTO-UHFFFAOYSA-N 2 0 281.360 -0.252 20 0 CBADRP C[NH+](CCC[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039069 356504223 /nfs/dbraw/zinc/50/42/23/356504223.db2.gz OCGKAPPHKSXJLU-KVVVAFMNSA-N 2 0 296.415 -0.232 20 0 CBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000626979252 356562464 /nfs/dbraw/zinc/56/24/64/356562464.db2.gz VBJVUWPNXDXZGK-OLZOCXBDSA-N 2 0 295.431 -0.184 20 0 CBADRP CC(C)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000626929460 356557217 /nfs/dbraw/zinc/55/72/17/356557217.db2.gz NIQDJYXIHVLPNH-KGLIPLIRSA-N 2 0 297.447 -0.081 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000626938003 356558135 /nfs/dbraw/zinc/55/81/35/356558135.db2.gz LROOCKNYRXVPRU-UPJWGTAASA-N 2 0 282.388 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)NCCOCCC[NH3+] ZINC000626950231 356558606 /nfs/dbraw/zinc/55/86/06/356558606.db2.gz NIAQDXRICWTMDL-NSHDSACASA-N 2 0 258.366 -0.255 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626954689 356559877 /nfs/dbraw/zinc/55/98/77/356559877.db2.gz JDSZAOZSQDPBKW-GHMZBOCLSA-N 2 0 258.366 -0.386 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000626978904 356562608 /nfs/dbraw/zinc/56/26/08/356562608.db2.gz MQDDCRMJXWEOOO-LLVKDONJSA-N 2 0 270.377 -0.160 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)NC[C@H]2C[N@H+](C)CCN2C)C[NH2+]1 ZINC000626974626 356561721 /nfs/dbraw/zinc/56/17/21/356561721.db2.gz JPGIGVNINXNPEN-AGIUHOORSA-N 2 0 283.420 -0.328 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626973290 356562007 /nfs/dbraw/zinc/56/20/07/356562007.db2.gz XBICIWMYYDRUMQ-VXGBXAGGSA-N 2 0 269.393 -0.717 20 0 CBADRP C[C@@H](NC(=O)NCCOCCC[NH3+])[C@H]1CN(C)CCO1 ZINC000627004084 356566102 /nfs/dbraw/zinc/56/61/02/356566102.db2.gz ZNUSOCFIZSVNNJ-VXGBXAGGSA-N 2 0 288.392 -0.630 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCOCC[NH+](C)C ZINC000627019408 356568459 /nfs/dbraw/zinc/56/84/59/356568459.db2.gz ZUNYGAXVJQTTJO-WDEREUQCSA-N 2 0 258.366 -0.386 20 0 CBADRP [NH3+]C1(CNC(=O)NC[C@H]2CCCC[NH2+]2)CCOCC1 ZINC000627066187 356571408 /nfs/dbraw/zinc/57/14/08/356571408.db2.gz QCMMVMOTEDFJFO-LLVKDONJSA-N 2 0 270.377 -0.064 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627064647 356571420 /nfs/dbraw/zinc/57/14/20/356571420.db2.gz VJOIMAAFEOZKSY-CYBMUJFWSA-N 2 0 295.431 -0.135 20 0 CBADRP CCN(CC[NH3+])C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000626982505 356563714 /nfs/dbraw/zinc/56/37/14/356563714.db2.gz JGJURBLPHNCTIH-NSHDSACASA-N 2 0 258.366 -0.303 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2C)CCO1 ZINC000627134717 356587815 /nfs/dbraw/zinc/58/78/15/356587815.db2.gz AYULDCRHBKZQEE-IJLUTSLNSA-N 2 0 270.377 -0.162 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627147741 356588440 /nfs/dbraw/zinc/58/84/40/356588440.db2.gz MEQAWIMQCCHTKL-SNVBAGLBSA-N 2 0 256.350 -0.373 20 0 CBADRP [NH3+]C1(CNC(=O)N2CC[NH+]3CCC2CC3)CCOCC1 ZINC000627148461 356588847 /nfs/dbraw/zinc/58/88/47/356588847.db2.gz DLEAZWJEYNNAAB-UHFFFAOYSA-N 2 0 282.388 -0.016 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1([NH3+])CCOCC1 ZINC000627147765 356589035 /nfs/dbraw/zinc/58/90/35/356589035.db2.gz RFVWHTFCRFRZSC-WDEREUQCSA-N 2 0 270.377 -0.066 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000627158692 356591234 /nfs/dbraw/zinc/59/12/34/356591234.db2.gz BJVKIVSAMZCGFL-WRWGMCAJSA-N 2 0 270.377 -0.116 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000627171029 356592209 /nfs/dbraw/zinc/59/22/09/356592209.db2.gz OTVWINJMTDPISN-UHFFFAOYSA-N 2 0 258.366 -0.384 20 0 CBADRP C[NH2+]CCOCCNC(=O)NC1(C)CC[NH2+]CC1 ZINC000627170639 356592346 /nfs/dbraw/zinc/59/23/46/356592346.db2.gz DWVKSXCOSRZRNJ-UHFFFAOYSA-N 2 0 258.366 -0.336 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627169421 356592378 /nfs/dbraw/zinc/59/23/78/356592378.db2.gz INNLHDOMKVVWST-WDEREUQCSA-N 2 0 258.366 -0.338 20 0 CBADRP CCO[C@@H]1CN(C(=O)NCCOCC[NH2+]C)C[C@H]1C[NH3+] ZINC000627170948 356592441 /nfs/dbraw/zinc/59/24/41/356592441.db2.gz LZHBFBBRZPZSQW-VXGBXAGGSA-N 2 0 288.392 -0.772 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000627171470 356592891 /nfs/dbraw/zinc/59/28/91/356592891.db2.gz XODFGXCLUYVWAK-GFCCVEGCSA-N 2 0 258.366 -0.397 20 0 CBADRP C[NH2+]CCOCCNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000627171272 356592919 /nfs/dbraw/zinc/59/29/19/356592919.db2.gz TYUGOEBYWLMRNX-UHFFFAOYSA-N 2 0 260.382 -0.151 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000627171394 356592964 /nfs/dbraw/zinc/59/29/64/356592964.db2.gz UZWRAMHGZIQAEG-WDEREUQCSA-N 2 0 258.366 -0.386 20 0 CBADRP C[NH2+]CCOCCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000627171243 356593017 /nfs/dbraw/zinc/59/30/17/356593017.db2.gz SEMZVVQNWHAHKA-LBPRGKRZSA-N 2 0 270.377 -0.242 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000627171557 356593021 /nfs/dbraw/zinc/59/30/21/356593021.db2.gz YQYDNEBSGVXYTM-VXGBXAGGSA-N 2 0 270.377 -0.384 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000627171210 356593048 /nfs/dbraw/zinc/59/30/48/356593048.db2.gz RLNSBQHZNOULAH-MNOVXSKESA-N 2 0 258.366 -0.386 20 0 CBADRP C[NH2+]CCOCCNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000627171075 356593338 /nfs/dbraw/zinc/59/33/38/356593338.db2.gz PVXYDKJMFCAYRZ-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@@H]1CCC[NH2+]1 ZINC000627073739 356574733 /nfs/dbraw/zinc/57/47/33/356574733.db2.gz KNTUPWUZWYRIFK-QWRGUYRKSA-N 2 0 256.350 -0.896 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000627076879 356575347 /nfs/dbraw/zinc/57/53/47/356575347.db2.gz LXKJXGKOGMJOPJ-LLVKDONJSA-N 2 0 258.366 -0.399 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000627077119 356575486 /nfs/dbraw/zinc/57/54/86/356575486.db2.gz TUBUUJZVTZKRDE-SNVBAGLBSA-N 2 0 258.366 -0.223 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627078886 356576088 /nfs/dbraw/zinc/57/60/88/356576088.db2.gz FHPHLVRIVNTQIL-WDEREUQCSA-N 2 0 258.366 -0.209 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627079694 356576576 /nfs/dbraw/zinc/57/65/76/356576576.db2.gz DSFZEUVCRLYVFP-QWRGUYRKSA-N 2 0 258.366 -0.353 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627081824 356577314 /nfs/dbraw/zinc/57/73/14/356577314.db2.gz ZEVJENCDOAQGPG-NWDGAFQWSA-N 2 0 272.393 -0.274 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627082138 356577436 /nfs/dbraw/zinc/57/74/36/356577436.db2.gz COFPWILPWDNWKH-WDEREUQCSA-N 2 0 258.366 -0.338 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCC1C[NH2+]C1)C2 ZINC000627082361 356577441 /nfs/dbraw/zinc/57/74/41/356577441.db2.gz BZZJQIHMQUUJFO-BETUJISGSA-N 2 0 252.362 -0.153 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627081826 356577666 /nfs/dbraw/zinc/57/76/66/356577666.db2.gz ZEVJENCDOAQGPG-RYUDHWBXSA-N 2 0 272.393 -0.274 20 0 CBADRP C[C@@]1(CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CCC[NH2+]C1 ZINC000627084096 356578294 /nfs/dbraw/zinc/57/82/94/356578294.db2.gz OFRQPXKLVOSCRB-TZMCWYRMSA-N 2 0 284.404 -0.258 20 0 CBADRP [NH3+]C1(CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CCC1 ZINC000627083836 356578330 /nfs/dbraw/zinc/57/83/30/356578330.db2.gz MMIIFFNKMMZAES-SNVBAGLBSA-N 2 0 256.350 -0.766 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NCC1=CC[NH2+]CC1 ZINC000627084388 356578544 /nfs/dbraw/zinc/57/85/44/356578544.db2.gz ICKWCGQTPAHPJG-UHFFFAOYSA-N 2 0 270.377 -0.217 20 0 CBADRP CN1CCOC[C@@H]1CNC(=O)NC[C@H]1CC[NH2+]C1 ZINC000627085180 356578738 /nfs/dbraw/zinc/57/87/38/356578738.db2.gz JINUYGODYAVSHX-QWRGUYRKSA-N 2 0 256.350 -0.774 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627086156 356578801 /nfs/dbraw/zinc/57/88/01/356578801.db2.gz IXTMLCSLJPGBHR-UTUOFQBUSA-N 2 0 270.377 -0.650 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CCOCC[NH3+] ZINC000627086169 356579079 /nfs/dbraw/zinc/57/90/79/356579079.db2.gz JOZQPARPXKDIEK-QWRGUYRKSA-N 2 0 258.366 -0.399 20 0 CBADRP C[NH2+]CCOCCNC(=O)NCC1=CC[NH2+]CC1 ZINC000627085062 356579173 /nfs/dbraw/zinc/57/91/73/356579173.db2.gz SNEVOLZMIXHQET-UHFFFAOYSA-N 2 0 256.350 -0.559 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627086150 356579188 /nfs/dbraw/zinc/57/91/88/356579188.db2.gz IXTMLCSLJPGBHR-GRYCIOLGSA-N 2 0 270.377 -0.650 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627086152 356579307 /nfs/dbraw/zinc/57/93/07/356579307.db2.gz IXTMLCSLJPGBHR-QJPTWQEYSA-N 2 0 270.377 -0.650 20 0 CBADRP [NH3+]CCCOCCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000627087373 356579619 /nfs/dbraw/zinc/57/96/19/356579619.db2.gz JAYDEEWKWXHLAF-QWRGUYRKSA-N 2 0 258.366 -0.079 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000627086775 356579863 /nfs/dbraw/zinc/57/98/63/356579863.db2.gz DCKNOJUKGBJAPM-NWDGAFQWSA-N 2 0 272.393 -0.138 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC1([NH3+])CCOCC1 ZINC000627086868 356580077 /nfs/dbraw/zinc/58/00/77/356580077.db2.gz BWXPRKJUVVJCIA-GHMZBOCLSA-N 2 0 270.377 -0.209 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000627087413 356580160 /nfs/dbraw/zinc/58/01/60/356580160.db2.gz JMKHLAFQSNDUKZ-GRYCIOLGSA-N 2 0 270.377 -0.378 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC[NH2+]1 ZINC000627088779 356580667 /nfs/dbraw/zinc/58/06/67/356580667.db2.gz IONBDHMCXBJASR-UTUOFQBUSA-N 2 0 270.377 -0.507 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)N(C)CCOCC[NH3+])CC[NH2+]1 ZINC000627089191 356580790 /nfs/dbraw/zinc/58/07/90/356580790.db2.gz KYRRDDNRMJGNDY-MNOVXSKESA-N 2 0 258.366 -0.256 20 0 CBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)CCOCC[NH3+] ZINC000627088687 356580849 /nfs/dbraw/zinc/58/08/49/356580849.db2.gz SEXANYUYCLJBMR-QWRGUYRKSA-N 2 0 258.366 -0.399 20 0 CBADRP C[C@H](CCCC[NH3+])NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627092427 356581579 /nfs/dbraw/zinc/58/15/79/356581579.db2.gz BXXMANBKMAAHIJ-MNOVXSKESA-N 2 0 258.366 -0.209 20 0 CBADRP COC[C@]1(CNC(=O)N[C@@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000627091773 356581583 /nfs/dbraw/zinc/58/15/83/356581583.db2.gz BWTQWBMCIKWKJP-ZYHUDNBSSA-N 2 0 256.350 -0.584 20 0 CBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627090731 356581710 /nfs/dbraw/zinc/58/17/10/356581710.db2.gz YNHGWCXNBGDKGN-SRVKXCTJSA-N 2 0 270.377 -0.650 20 0 CBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627090732 356581725 /nfs/dbraw/zinc/58/17/25/356581725.db2.gz YNHGWCXNBGDKGN-TUAOUCFPSA-N 2 0 270.377 -0.650 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000627174461 356594454 /nfs/dbraw/zinc/59/44/54/356594454.db2.gz OQQCZNXWCJAOML-OLZOCXBDSA-N 2 0 284.404 -0.042 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCO2)C[NH2+]1 ZINC000627101321 356582659 /nfs/dbraw/zinc/58/26/59/356582659.db2.gz BKDQJOCULUFISR-MXWKQRLJSA-N 2 0 256.350 -0.586 20 0 CBADRP O=C(NCCC[C@H]1CCC[NH2+]1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627100993 356582727 /nfs/dbraw/zinc/58/27/27/356582727.db2.gz VLZOLXZREXPQKH-CHWSQXEVSA-N 2 0 284.404 -0.116 20 0 CBADRP C[C@H](CCC[NH3+])NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627096632 356583023 /nfs/dbraw/zinc/58/30/23/356583023.db2.gz XPWMIVYSSOCIIG-MNOVXSKESA-N 2 0 258.366 -0.520 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000627101482 356583151 /nfs/dbraw/zinc/58/31/51/356583151.db2.gz CGEWNCPWZMKGSU-RYUDHWBXSA-N 2 0 272.393 -0.009 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000627103426 356583433 /nfs/dbraw/zinc/58/34/33/356583433.db2.gz RKSSUNANCWPRSC-SDDRHHMPSA-N 2 0 270.377 -0.195 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000627104046 356583819 /nfs/dbraw/zinc/58/38/19/356583819.db2.gz QKXCZDUUJSVUIS-WDEREUQCSA-N 2 0 256.350 -0.632 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627104905 356584049 /nfs/dbraw/zinc/58/40/49/356584049.db2.gz PVDZKIGAWHAZGF-AXFHLTTASA-N 2 0 258.366 -0.522 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000627105357 356584361 /nfs/dbraw/zinc/58/43/61/356584361.db2.gz GKSJSMNRGPLZOB-FRRDWIJNSA-N 2 0 284.404 -0.009 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000627174460 356594503 /nfs/dbraw/zinc/59/45/03/356594503.db2.gz OQQCZNXWCJAOML-CHWSQXEVSA-N 2 0 284.404 -0.042 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000627107355 356584610 /nfs/dbraw/zinc/58/46/10/356584610.db2.gz XRAAFQPRLAOADS-SYQHCUMBSA-N 2 0 296.415 -0.260 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NCCC1(C[NH3+])CC1 ZINC000627109248 356584787 /nfs/dbraw/zinc/58/47/87/356584787.db2.gz FNYCUIOJANDDEK-UHFFFAOYSA-N 2 0 272.393 -0.007 20 0 CBADRP [NH3+]CC1(CCNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000627109846 356585503 /nfs/dbraw/zinc/58/55/03/356585503.db2.gz OPMGDEHUNACTFI-LLVKDONJSA-N 2 0 270.377 -0.519 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627115488 356585895 /nfs/dbraw/zinc/58/58/95/356585895.db2.gz AEACPCXGPQXQRA-NWDGAFQWSA-N 2 0 272.393 -0.274 20 0 CBADRP [NH3+]CCCOCCNC(=O)NCC1([NH3+])CCCC1 ZINC000627113904 356586086 /nfs/dbraw/zinc/58/60/86/356586086.db2.gz PUCJVJNDWRZEOM-UHFFFAOYSA-N 2 0 258.366 -0.078 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627115615 356586401 /nfs/dbraw/zinc/58/64/01/356586401.db2.gz CLXDMJYEXRJOHF-GHMZBOCLSA-N 2 0 258.366 -0.353 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H]1CC12CC[NH2+]CC2 ZINC000627119694 356586598 /nfs/dbraw/zinc/58/65/98/356586598.db2.gz SXVOTCGBUXIRJT-RYUDHWBXSA-N 2 0 282.388 -0.506 20 0 CBADRP [NH3+]CCCOCCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000627119055 356586739 /nfs/dbraw/zinc/58/67/39/356586739.db2.gz IXYGVZBCZSNHDS-NSHDSACASA-N 2 0 270.377 -0.207 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000627118197 356587081 /nfs/dbraw/zinc/58/70/81/356587081.db2.gz ULWZVTKKWRZMGL-JTQLQIEISA-N 2 0 294.359 -0.466 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000627118198 356587098 /nfs/dbraw/zinc/58/70/98/356587098.db2.gz ULWZVTKKWRZMGL-SNVBAGLBSA-N 2 0 294.359 -0.466 20 0 CBADRP C[C@@H]1CN(C(=O)NCCOCCC[NH3+])[C@H](C)C[NH2+]1 ZINC000627219091 356608059 /nfs/dbraw/zinc/60/80/59/356608059.db2.gz PHGCMXMEZDEJMU-GHMZBOCLSA-N 2 0 258.366 -0.256 20 0 CBADRP [NH3+]CCCOCCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000627219254 356608329 /nfs/dbraw/zinc/60/83/29/356608329.db2.gz TXHARMRWVGEIGI-GFCCVEGCSA-N 2 0 270.377 -0.112 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCCOCCC[NH3+])CCO1 ZINC000627219621 356608963 /nfs/dbraw/zinc/60/89/63/356608963.db2.gz ZCTYKIFHOZGMKN-QWRGUYRKSA-N 2 0 274.365 -0.891 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCCOCCC[NH3+] ZINC000627219916 356608995 /nfs/dbraw/zinc/60/89/95/356608995.db2.gz IQZFLQFSKMDJMJ-GFCCVEGCSA-N 2 0 272.393 -0.009 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000627226035 356610052 /nfs/dbraw/zinc/61/00/52/356610052.db2.gz FHCTWZZUVXLIQV-QWRGUYRKSA-N 2 0 256.350 -0.550 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000627225706 356610083 /nfs/dbraw/zinc/61/00/83/356610083.db2.gz AYULDCRHBKZQEE-SRVKXCTJSA-N 2 0 270.377 -0.162 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000627244917 356610923 /nfs/dbraw/zinc/61/09/23/356610923.db2.gz ABFVGRIMIGKOLF-RWMBFGLXSA-N 2 0 284.404 -0.117 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000627245574 356611176 /nfs/dbraw/zinc/61/11/76/356611176.db2.gz QBHMQHZNQXSENB-FTYKPCCVSA-N 2 0 292.387 -0.393 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000627244918 356611480 /nfs/dbraw/zinc/61/14/80/356611480.db2.gz ABFVGRIMIGKOLF-YNEHKIRRSA-N 2 0 284.404 -0.117 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627190604 356600926 /nfs/dbraw/zinc/60/09/26/356600926.db2.gz BCWGKXUCMPZDCO-RYUDHWBXSA-N 2 0 270.377 -0.386 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000627190408 356601447 /nfs/dbraw/zinc/60/14/47/356601447.db2.gz JPNUEQOGFJTNNG-UTUOFQBUSA-N 2 0 268.361 -0.632 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC000627258202 356615932 /nfs/dbraw/zinc/61/59/32/356615932.db2.gz WOVVWYZDGLJZIQ-OLZOCXBDSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2COCC[NH2+]2)C[NH2+]1 ZINC000627191841 356603301 /nfs/dbraw/zinc/60/33/01/356603301.db2.gz IJJXVXDYUIBBNU-OUAUKWLOSA-N 2 0 256.350 -0.586 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)NCC2(O)CC[NH+](C)CC2)C[NH2+]1 ZINC000627198116 356603838 /nfs/dbraw/zinc/60/38/38/356603838.db2.gz IQQXFDCSOSUZLZ-RYUDHWBXSA-N 2 0 284.404 -0.117 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)NCC2(O)CC[NH+](C)CC2)C[NH2+]1 ZINC000627198115 356604128 /nfs/dbraw/zinc/60/41/28/356604128.db2.gz IQQXFDCSOSUZLZ-NWDGAFQWSA-N 2 0 284.404 -0.117 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C[NH2+]1 ZINC000627205205 356604461 /nfs/dbraw/zinc/60/44/61/356604461.db2.gz NXFOXALNHJQOJS-WZRBSPASSA-N 2 0 270.377 -0.507 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)NC[C@]2(O)CC[N@H+](C)C2)C[NH2+]1 ZINC000627205204 356604607 /nfs/dbraw/zinc/60/46/07/356604607.db2.gz NXFOXALNHJQOJS-NTZNESFSSA-N 2 0 270.377 -0.507 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)NCCOCCC[NH3+])C[NH2+]1 ZINC000627208045 356605344 /nfs/dbraw/zinc/60/53/44/356605344.db2.gz GCOILYRCNZVULZ-QWRGUYRKSA-N 2 0 258.366 -0.209 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C[NH2+]1 ZINC000627211039 356606070 /nfs/dbraw/zinc/60/60/70/356606070.db2.gz ZWCPRFKYQCLAMJ-MCIONIFRSA-N 2 0 295.431 -0.184 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[NH2+]1 ZINC000627210028 356606164 /nfs/dbraw/zinc/60/61/64/356606164.db2.gz KOTQEGKHFIHQBL-NNYUYHANSA-N 2 0 252.362 -0.012 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[NH2+]1 ZINC000627210029 356606194 /nfs/dbraw/zinc/60/61/94/356606194.db2.gz KOTQEGKHFIHQBL-WISYIIOYSA-N 2 0 252.362 -0.012 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627215305 356606650 /nfs/dbraw/zinc/60/66/50/356606650.db2.gz DVKRSSKZSYPVPZ-LBPRGKRZSA-N 2 0 272.393 -0.055 20 0 CBADRP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)C1CC[NH+](C)CC1 ZINC000627353330 356630492 /nfs/dbraw/zinc/63/04/92/356630492.db2.gz ZDBFGLWHKALUHF-NTZNESFSSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627358355 356631364 /nfs/dbraw/zinc/63/13/64/356631364.db2.gz GRALAZAWPNNAKZ-RWMBFGLXSA-N 2 0 296.415 -0.156 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000627357243 356631394 /nfs/dbraw/zinc/63/13/94/356631394.db2.gz BCVFBOJNWOQCTP-GFCCVEGCSA-N 2 0 284.404 -0.358 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NCCCCn1ccnc1C ZINC000627355225 356631832 /nfs/dbraw/zinc/63/18/32/356631832.db2.gz BNQBJDCMHNHILV-UHFFFAOYSA-N 2 0 295.387 -0.105 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627293196 356620823 /nfs/dbraw/zinc/62/08/23/356620823.db2.gz NJQZQEYVLGNVJD-YPMHNXCESA-N 2 0 296.415 -0.156 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627293193 356620854 /nfs/dbraw/zinc/62/08/54/356620854.db2.gz NJQZQEYVLGNVJD-AAEUAGOBSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000627291620 356620862 /nfs/dbraw/zinc/62/08/62/356620862.db2.gz YVLMPQXBEFFUFG-NWDGAFQWSA-N 2 0 282.388 -0.547 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627308444 356624379 /nfs/dbraw/zinc/62/43/79/356624379.db2.gz PTTKCVVWCHWARS-NWDGAFQWSA-N 2 0 282.388 -0.687 20 0 CBADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627324041 356625613 /nfs/dbraw/zinc/62/56/13/356625613.db2.gz OLQPBWAYGQXOHT-CYBMUJFWSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627320999 356625639 /nfs/dbraw/zinc/62/56/39/356625639.db2.gz ZXBQSPZFIBRNKA-RWMBFGLXSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCC1 ZINC000627341821 356629093 /nfs/dbraw/zinc/62/90/93/356629093.db2.gz PXYNMWRNDNFQBR-SNVBAGLBSA-N 2 0 268.361 -0.935 20 0 CBADRP C[NH+](C)C1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627421386 356643899 /nfs/dbraw/zinc/64/38/99/356643899.db2.gz IRQOMWDLRFPPMW-MOENNCHZSA-N 2 0 282.388 -0.547 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000627425237 356644486 /nfs/dbraw/zinc/64/44/86/356644486.db2.gz IZEVYQFQXKHYLK-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2CC)C1 ZINC000627428497 356645336 /nfs/dbraw/zinc/64/53/36/356645336.db2.gz HJURYDLFIBJUDE-RWMBFGLXSA-N 2 0 296.415 -0.156 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000627428963 356645605 /nfs/dbraw/zinc/64/56/05/356645605.db2.gz TWGPGXVXDZJOKC-UPJWGTAASA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000627456258 356649309 /nfs/dbraw/zinc/64/93/09/356649309.db2.gz GKCZGVQEEIWTGJ-RWMBFGLXSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000627460678 356650075 /nfs/dbraw/zinc/65/00/75/356650075.db2.gz QZYNZKCGFZPURM-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)C[NH+]1CCCC1 ZINC000627398887 356638832 /nfs/dbraw/zinc/63/88/32/356638832.db2.gz YWPJUTZIDOWDCS-FRRDWIJNSA-N 2 0 296.415 -0.299 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000627398678 356638954 /nfs/dbraw/zinc/63/89/54/356638954.db2.gz TWANVDXTVMUFGA-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000627398423 356639153 /nfs/dbraw/zinc/63/91/53/356639153.db2.gz MRSFTPDYVWVCDQ-LOWDOPEQSA-N 2 0 294.399 -0.404 20 0 CBADRP CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000627504736 356660233 /nfs/dbraw/zinc/66/02/33/356660233.db2.gz DEDVPFKRDWOZGN-PWSUYJOCSA-N 2 0 280.372 -0.840 20 0 CBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@H]1C ZINC000627506552 356660932 /nfs/dbraw/zinc/66/09/32/356660932.db2.gz XJWQUXCLWKGXEE-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627505998 356661022 /nfs/dbraw/zinc/66/10/22/356661022.db2.gz SUBMGMAXRFXPMC-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627506370 356661121 /nfs/dbraw/zinc/66/11/21/356661121.db2.gz MTKFULFAUVMJCB-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000627506829 356661598 /nfs/dbraw/zinc/66/15/98/356661598.db2.gz LFILEQYNFVCRDR-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627507064 356661602 /nfs/dbraw/zinc/66/16/02/356661602.db2.gz YTNMZAPUTJPFDV-VXGBXAGGSA-N 2 0 282.388 -0.687 20 0 CBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627506965 356661689 /nfs/dbraw/zinc/66/16/89/356661689.db2.gz TVGDKMPXYFTYHI-LLVKDONJSA-N 2 0 282.388 -0.593 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627507292 356661725 /nfs/dbraw/zinc/66/17/25/356661725.db2.gz LDSLLELSIJQIGI-GHMZBOCLSA-N 2 0 268.361 -0.983 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)C[NH2+]1 ZINC000627478695 356653834 /nfs/dbraw/zinc/65/38/34/356653834.db2.gz QSHUKVFCFPDCJG-WDEREUQCSA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)C[NH2+]1 ZINC000627478694 356653997 /nfs/dbraw/zinc/65/39/97/356653997.db2.gz QSHUKVFCFPDCJG-QWRGUYRKSA-N 2 0 270.377 -0.737 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627500333 356658290 /nfs/dbraw/zinc/65/82/90/356658290.db2.gz XVZOETZATVJWNE-RWMBFGLXSA-N 2 0 296.415 -0.158 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000627500030 356658320 /nfs/dbraw/zinc/65/83/20/356658320.db2.gz KQRKDVDCENTZCP-CYZMBNFOSA-N 2 0 294.399 -0.452 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000627499445 356658493 /nfs/dbraw/zinc/65/84/93/356658493.db2.gz NCGOVOOMLHCINK-YNEHKIRRSA-N 2 0 294.399 -0.450 20 0 CBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627502969 356658855 /nfs/dbraw/zinc/65/88/55/356658855.db2.gz VIIIUZPWMSCTBS-RWMBFGLXSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627503750 356659550 /nfs/dbraw/zinc/65/95/50/356659550.db2.gz ZOJUSEXETHCTLK-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH+](C)C1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000628585146 356714367 /nfs/dbraw/zinc/71/43/67/356714367.db2.gz SLDMDOVNWJCVCM-NSHDSACASA-N 2 0 282.388 -0.463 20 0 CBADRP [NH3+]CCCOCC[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000629539379 356777296 /nfs/dbraw/zinc/77/72/96/356777296.db2.gz QMWFTHGONAGPMW-QWHCGFSZSA-N 2 0 257.378 -0.292 20 0 CBADRP [NH3+]CCCOCC[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000629539380 356777736 /nfs/dbraw/zinc/77/77/36/356777736.db2.gz QMWFTHGONAGPMW-STQMWFEESA-N 2 0 257.378 -0.292 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1CCC[NH+]1C1CC1 ZINC000629170727 356751003 /nfs/dbraw/zinc/75/10/03/356751003.db2.gz XPCAMGQHDSMFMO-OLZOCXBDSA-N 2 0 267.373 -0.204 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCN[C@H]1CCC[C@@H]1[NH3+] ZINC000629512167 356774647 /nfs/dbraw/zinc/77/46/47/356774647.db2.gz BKLNIQPWLYAJDQ-SRVKXCTJSA-N 2 0 254.378 -0.204 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[NH+](C)C ZINC000629615188 356788318 /nfs/dbraw/zinc/78/83/18/356788318.db2.gz SGAFKGJNEJHBAV-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000629653099 356788868 /nfs/dbraw/zinc/78/88/68/356788868.db2.gz NBKFQMJAETVFQE-PSASIEDQSA-N 2 0 251.334 -0.272 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000629797958 356795020 /nfs/dbraw/zinc/79/50/20/356795020.db2.gz GXJZCILIDCGINO-VXGBXAGGSA-N 2 0 284.404 -0.265 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000629798845 356795293 /nfs/dbraw/zinc/79/52/93/356795293.db2.gz LSQHJNDNRLSSBN-CHWSQXEVSA-N 2 0 298.431 -0.018 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000629801883 356796121 /nfs/dbraw/zinc/79/61/21/356796121.db2.gz DAXXVQFKUNMTSS-NEPJUHHUSA-N 2 0 282.388 -0.654 20 0 CBADRP C[NH+]1CCC(C(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000629913533 356806019 /nfs/dbraw/zinc/80/60/19/356806019.db2.gz FNTAZWAYVALWDQ-LBPRGKRZSA-N 2 0 255.362 -0.489 20 0 CBADRP CC1CC[NH+](CC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000629914473 356807201 /nfs/dbraw/zinc/80/72/01/356807201.db2.gz VLOIHVOZMSOWLT-ZDUSSCGKSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+](C)CC[C@@](C)(O)CNC(=O)C1([NH+](C)C)CC1 ZINC000629986057 356814198 /nfs/dbraw/zinc/81/41/98/356814198.db2.gz XZGDURRAQVYIEA-GFCCVEGCSA-N 2 0 257.378 -0.101 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[N@H+](C)C1CCC1 ZINC000630018899 356818291 /nfs/dbraw/zinc/81/82/91/356818291.db2.gz LBHWUKAAOUGYLH-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP COC[C@@](C)(O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629579543 356782867 /nfs/dbraw/zinc/78/28/67/356782867.db2.gz GMOVUSSZTVFZHP-OLZOCXBDSA-N 2 0 260.378 -0.180 20 0 CBADRP OC[C@@H]1CC[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)O1 ZINC000629583611 356783647 /nfs/dbraw/zinc/78/36/47/356783647.db2.gz FXPBMGYIRCDBHM-XQQFMLRXSA-N 2 0 258.362 -0.427 20 0 CBADRP OCCC[N@@H+]1CCC[C@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000629583879 356784064 /nfs/dbraw/zinc/78/40/64/356784064.db2.gz JWDBIXKBPHEVSM-GJZGRUSLSA-N 2 0 285.432 -0.121 20 0 CBADRP OC[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000629583527 356784284 /nfs/dbraw/zinc/78/42/84/356784284.db2.gz BTYYEIGUDHFATK-RDBSUJKOSA-N 2 0 272.389 -0.322 20 0 CBADRP CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000629595370 356785051 /nfs/dbraw/zinc/78/50/51/356785051.db2.gz NMAYHKQFCKAGLH-VXGBXAGGSA-N 2 0 275.418 -0.143 20 0 CBADRP CC[C@H](C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+](C)C ZINC000629614148 356787782 /nfs/dbraw/zinc/78/77/82/356787782.db2.gz ZCYPYJRYKAEHTK-SECBINFHSA-N 2 0 267.333 -0.403 20 0 CBADRP CO[C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)[C@@](C)(C[NH3+])C1 ZINC000630365422 356838777 /nfs/dbraw/zinc/83/87/77/356838777.db2.gz HVRABPORTCOKDV-RWMBFGLXSA-N 2 0 269.389 -0.055 20 0 CBADRP CO[C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)[C@@](C)(C[NH3+])C1 ZINC000630365421 356838949 /nfs/dbraw/zinc/83/89/49/356838949.db2.gz HVRABPORTCOKDV-FRRDWIJNSA-N 2 0 269.389 -0.055 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(F)F)[C@@](C)(C[NH3+])C1 ZINC000630373478 356840171 /nfs/dbraw/zinc/84/01/71/356840171.db2.gz KGSPWAYVQFIZDN-DKCNOQQISA-N 2 0 265.304 -0.066 20 0 CBADRP C[NH+](C)CCNC(=O)[C@H]1CC[C@@H]1C(=O)NCC[NH+](C)C ZINC000630409469 356845065 /nfs/dbraw/zinc/84/50/65/356845065.db2.gz SHGDNYXPDASEGN-RYUDHWBXSA-N 2 0 284.404 -0.632 20 0 CBADRP [NH3+]CCCCCn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000630591371 356853725 /nfs/dbraw/zinc/85/37/25/356853725.db2.gz WILGKCXIMQYLCA-UHFFFAOYSA-N 2 0 266.393 -0.145 20 0 CBADRP COCC[C@H]([NH3+])Cc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630605731 356854414 /nfs/dbraw/zinc/85/44/14/356854414.db2.gz OBQQVOYUIKVRKU-QWRGUYRKSA-N 2 0 253.350 -0.064 20 0 CBADRP CN(CCC[NH3+])Cc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630605552 356854471 /nfs/dbraw/zinc/85/44/71/356854471.db2.gz LKIPSZQJFIBTSK-NSHDSACASA-N 2 0 252.366 -0.189 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631821156 356908889 /nfs/dbraw/zinc/90/88/89/356908889.db2.gz QJDMEDXJEDLFEO-VXGBXAGGSA-N 2 0 292.387 -0.448 20 0 CBADRP CC[NH2+]CCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631903215 356918827 /nfs/dbraw/zinc/91/88/27/356918827.db2.gz BTAIIOZUESBKOY-UHFFFAOYSA-N 2 0 264.395 -0.886 20 0 CBADRP [NH3+]C1CCC(NS(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631902905 356918832 /nfs/dbraw/zinc/91/88/32/356918832.db2.gz UJIWKWLHOYFSKG-VQXHTEKXSA-N 2 0 277.390 -0.836 20 0 CBADRP CC[NH2+]CCNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631903553 356919652 /nfs/dbraw/zinc/91/96/52/356919652.db2.gz LYQLUQNTSUFDKI-UHFFFAOYSA-N 2 0 292.449 -0.847 20 0 CBADRP C[NH2+]C[C@H]1CCN(S(=O)(=O)CCC[NH+](C)C)C1 ZINC000631904552 356920127 /nfs/dbraw/zinc/92/01/27/356920127.db2.gz QYWGQWXOQLIKKH-LLVKDONJSA-N 2 0 263.407 -0.191 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631905231 356920190 /nfs/dbraw/zinc/92/01/90/356920190.db2.gz IDLYFALNZGRNTC-SRVKXCTJSA-N 2 0 291.417 -0.588 20 0 CBADRP CC(C)C[C@H](C[NH3+])NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631904817 356920375 /nfs/dbraw/zinc/92/03/75/356920375.db2.gz ZNLIXTHNQJJMSE-MNOVXSKESA-N 2 0 279.406 -0.732 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)N(C)C2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000631929306 356923850 /nfs/dbraw/zinc/92/38/50/356923850.db2.gz BUCNVFGSBHQVPS-MNOVXSKESA-N 2 0 290.433 -0.403 20 0 CBADRP CC(C)[C@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000631930347 356924825 /nfs/dbraw/zinc/92/48/25/356924825.db2.gz GJHUJFBUTDPEDN-VXGBXAGGSA-N 2 0 291.417 -0.766 20 0 CBADRP C[C@@H](C[NH3+])CNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631930844 356925391 /nfs/dbraw/zinc/92/53/91/356925391.db2.gz ALPZKBJZVIWYLP-VIFPVBQESA-N 2 0 264.395 -0.901 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)CCC[NH+](C)C)C1 ZINC000631932566 356926299 /nfs/dbraw/zinc/92/62/99/356926299.db2.gz WFAUHTPWQUXWIT-WDEREUQCSA-N 2 0 263.407 -0.063 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@H]([NH3+])C1CC1 ZINC000631932684 356926427 /nfs/dbraw/zinc/92/64/27/356926427.db2.gz XTYNCLTZXVLMRB-NSHDSACASA-N 2 0 276.406 -0.758 20 0 CBADRP C[C@]1(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000631934595 356926873 /nfs/dbraw/zinc/92/68/73/356926873.db2.gz FQJXHHPDXYENEG-RYUDHWBXSA-N 2 0 291.417 -0.716 20 0 CBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@H]1CCC[NH2+]CC1 ZINC000631934991 356927089 /nfs/dbraw/zinc/92/70/89/356927089.db2.gz OQDHNNZQYBZFDY-WDEREUQCSA-N 2 0 277.390 -0.964 20 0 CBADRP C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)CCC[NH+](C)C ZINC000631934960 356927146 /nfs/dbraw/zinc/92/71/46/356927146.db2.gz OGQPVEKKTYMKCE-QWRGUYRKSA-N 2 0 263.407 -0.145 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631936206 356928038 /nfs/dbraw/zinc/92/80/38/356928038.db2.gz WXHZHVAMXKHKEW-RYUDHWBXSA-N 2 0 291.417 -0.635 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)CCC[NH+](C)C ZINC000631936770 356928374 /nfs/dbraw/zinc/92/83/74/356928374.db2.gz LQGIXCVMMCKKCP-QWRGUYRKSA-N 2 0 281.397 -0.100 20 0 CBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000631939391 356928830 /nfs/dbraw/zinc/92/88/30/356928830.db2.gz ZEBFUYNNEZXYDC-GHMZBOCLSA-N 2 0 289.401 -0.964 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000631939342 356929096 /nfs/dbraw/zinc/92/90/96/356929096.db2.gz XULNBZQAUALBCG-UWVGGRQHSA-N 2 0 267.370 -0.443 20 0 CBADRP C[C@@H](CCC[NH3+])NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631940032 356929879 /nfs/dbraw/zinc/92/98/79/356929879.db2.gz NIXQKDHSGAHAGG-UWVGGRQHSA-N 2 0 265.379 -0.978 20 0 CBADRP [NH3+]Cc1ccc(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000631948056 356931552 /nfs/dbraw/zinc/93/15/52/356931552.db2.gz VDVYTECRHQAIKS-ZDUSSCGKSA-N 2 0 299.396 -0.447 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631949318 356931857 /nfs/dbraw/zinc/93/18/57/356931857.db2.gz ZXXMYGRVIVOAFR-VWYCJHECSA-N 2 0 277.390 -0.884 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631949205 356932075 /nfs/dbraw/zinc/93/20/75/356932075.db2.gz BZPVTMGRIPZECM-GRYCIOLGSA-N 2 0 291.417 -0.766 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC000631952373 356932569 /nfs/dbraw/zinc/93/25/69/356932569.db2.gz FWBWUNULKWLUAO-UHFFFAOYSA-N 2 0 261.391 -0.391 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@]1(C)CC[NH2+]C1 ZINC000631953626 356932909 /nfs/dbraw/zinc/93/29/09/356932909.db2.gz OMDHRPGCLCQRPG-LLVKDONJSA-N 2 0 276.406 -0.743 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000631954229 356934127 /nfs/dbraw/zinc/93/41/27/356934127.db2.gz FQRXNLUMRNUXBA-WDEREUQCSA-N 2 0 289.401 -0.821 20 0 CBADRP C[C@@H]1CC[C@@H](NS(=O)(=O)N(C)C2CC[NH2+]CC2)C[NH2+]1 ZINC000631955830 356935150 /nfs/dbraw/zinc/93/51/50/356935150.db2.gz PSSLCNAZROGGBC-GHMZBOCLSA-N 2 0 290.433 -0.355 20 0 CBADRP O=S(=O)(CCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631968412 356936728 /nfs/dbraw/zinc/93/67/28/356936728.db2.gz FCWLVZVJMSLUJZ-RYUDHWBXSA-N 2 0 273.402 -0.152 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000632431082 356987918 /nfs/dbraw/zinc/98/79/18/356987918.db2.gz RAOYISBPVGENAL-LLVKDONJSA-N 2 0 263.407 -0.191 20 0 CBADRP CN(C)C1(CS(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000632136017 356953805 /nfs/dbraw/zinc/95/38/05/356953805.db2.gz JOEBWSHQQRDYAS-LLVKDONJSA-N 2 0 293.433 -0.687 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N2CC([NH+](C)C)C2)cn1 ZINC000632191998 356959518 /nfs/dbraw/zinc/95/95/18/356959518.db2.gz PZSDWOSEVBUGLF-UHFFFAOYSA-N 2 0 265.361 -0.169 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633086763 357041586 /nfs/dbraw/zinc/04/15/86/357041586.db2.gz ZSTYHSOOFNWJIK-STQMWFEESA-N 2 0 294.399 -0.498 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000633087428 357042033 /nfs/dbraw/zinc/04/20/33/357042033.db2.gz KAKYKHNSLFRJIJ-XQQFMLRXSA-N 2 0 294.399 -0.498 20 0 CBADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@@H+]1C ZINC000633095340 357044654 /nfs/dbraw/zinc/04/46/54/357044654.db2.gz UVGCQVCAZJKCBK-VOAKCMCISA-N 2 0 294.399 -0.500 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)[C@H]2C1 ZINC000633099980 357045156 /nfs/dbraw/zinc/04/51/56/357045156.db2.gz MJZAAZGIZRMSGH-VOAKCMCISA-N 2 0 292.383 -0.888 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633099265 357045525 /nfs/dbraw/zinc/04/55/25/357045525.db2.gz SQAWOOFKDQCARC-TXEJJXNPSA-N 2 0 294.399 -0.498 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000633115446 357049345 /nfs/dbraw/zinc/04/93/45/357049345.db2.gz JTXIYESFWOCOEX-WCQYABFASA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000633115908 357049494 /nfs/dbraw/zinc/04/94/94/357049494.db2.gz NCKUYPGNWNFTKC-VXGBXAGGSA-N 2 0 282.388 -0.511 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000633115264 357049551 /nfs/dbraw/zinc/04/95/51/357049551.db2.gz INGPEIMGHYVUHX-WCQYABFASA-N 2 0 296.415 -0.265 20 0 CBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000633117003 357050111 /nfs/dbraw/zinc/05/01/11/357050111.db2.gz DTJOOQMTGKGWBT-LBPRGKRZSA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000633138011 357051198 /nfs/dbraw/zinc/05/11/98/357051198.db2.gz BEBLBXKZDBLCMY-JHJVBQTASA-N 2 0 292.383 -0.593 20 0 CBADRP O=C(NC[C@@H]1CCCC[NH2+]1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000634269413 357112767 /nfs/dbraw/zinc/11/27/67/357112767.db2.gz GIOPNSXTAQRTRP-UONOGXRCSA-N 2 0 295.431 -0.182 20 0 CBADRP CCO[C@@H]1COC[C@H]1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000633714047 357082812 /nfs/dbraw/zinc/08/28/12/357082812.db2.gz LMOGPBNENBYPJT-QJPTWQEYSA-N 2 0 286.376 -0.925 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1CCO[C@@H]1C[NH3+])C2 ZINC000634741897 357131693 /nfs/dbraw/zinc/13/16/93/357131693.db2.gz SEZYGIZTBUURDQ-UZGDPCLZSA-N 2 0 267.373 -0.192 20 0 CBADRP COCC[NH2+]CC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634750257 357132628 /nfs/dbraw/zinc/13/26/28/357132628.db2.gz RNASVQZJEZMXPE-BETUJISGSA-N 2 0 255.362 -0.320 20 0 CBADRP O=C([C@H]1CCCN(CC23CC(C2)C[NH2+]3)C1)N1CC[NH2+]CC1 ZINC000634991086 357141276 /nfs/dbraw/zinc/14/12/76/357141276.db2.gz PHKHTKNZJQWHPC-BBBYJDLNSA-N 2 0 292.427 -0.118 20 0 CBADRP C[C@@]1(C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC[NH2+]C1 ZINC000634999461 357142200 /nfs/dbraw/zinc/14/22/00/357142200.db2.gz UYSXVDRIGIXKQP-MCIONIFRSA-N 2 0 265.357 -0.029 20 0 CBADRP CCS(=O)(=O)NCCC[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995726 357142490 /nfs/dbraw/zinc/14/24/90/357142490.db2.gz NDSOGSNRKDAXRY-UHFFFAOYSA-N 2 0 261.391 -0.343 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000635546995 357174001 /nfs/dbraw/zinc/17/40/01/357174001.db2.gz DNXRJGNFIWJFIL-CHWSQXEVSA-N 2 0 268.405 -0.310 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@]1(N)CC1(F)F ZINC000634296757 357115891 /nfs/dbraw/zinc/11/58/91/357115891.db2.gz OOXTWXNZAVMXMV-NSHDSACASA-N 2 0 278.347 -0.277 20 0 CBADRP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2C[C@@H]3COC[C@@H]3C2)C1=O ZINC000634533720 357122874 /nfs/dbraw/zinc/12/28/74/357122874.db2.gz NRBPZZGKCRHERX-FRRDWIJNSA-N 2 0 295.383 -0.356 20 0 CBADRP Cn1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c(=O)n(C)c1=O ZINC000634732357 357130846 /nfs/dbraw/zinc/13/08/46/357130846.db2.gz DPSOLIKXQNUWBG-GFCCVEGCSA-N 2 0 294.399 -0.048 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635728415 357197730 /nfs/dbraw/zinc/19/77/30/357197730.db2.gz XDZUPBDWPXIQNC-WCQYABFASA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000635900877 357228080 /nfs/dbraw/zinc/22/80/80/357228080.db2.gz YOLDYDSPPXVUOH-KBPBESRZSA-N 2 0 280.416 -0.166 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH+]3CC[C@H](O)C3)C2)C1 ZINC000635928430 357234681 /nfs/dbraw/zinc/23/46/81/357234681.db2.gz GHXHJHYGGWPXIK-MCIONIFRSA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@H](CNC(=O)[C@@H](C)[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000635558523 357176246 /nfs/dbraw/zinc/17/62/46/357176246.db2.gz AIIWVSKPJUUJHC-CHWSQXEVSA-N 2 0 270.421 -0.064 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000636581247 357290713 /nfs/dbraw/zinc/29/07/13/357290713.db2.gz XBNPICRBJDGWTR-GXTWGEPZSA-N 2 0 296.415 -0.164 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000636596611 357292022 /nfs/dbraw/zinc/29/20/22/357292022.db2.gz SUSISALAZONIJA-RDBSUJKOSA-N 2 0 296.415 -0.021 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000636624529 357294240 /nfs/dbraw/zinc/29/42/40/357294240.db2.gz VWGRJRAUZTUXGJ-NWDGAFQWSA-N 2 0 270.377 -0.554 20 0 CBADRP C[C@@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+](C)C1CC1 ZINC000636732863 357298713 /nfs/dbraw/zinc/29/87/13/357298713.db2.gz YBKKNINLVKVGOD-WCQYABFASA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@@H+]1C ZINC000636844696 357306490 /nfs/dbraw/zinc/30/64/90/357306490.db2.gz KYQFEQASYFSJQW-UPJWGTAASA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC000636081084 357261889 /nfs/dbraw/zinc/26/18/89/357261889.db2.gz TVONOUGPOBONEQ-LBPRGKRZSA-N 2 0 296.415 -0.093 20 0 CBADRP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1=O ZINC000636121387 357264218 /nfs/dbraw/zinc/26/42/18/357264218.db2.gz VDJGYRKHQWAZTC-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C1(C[NH+](C)C)CC1 ZINC000636181971 357269246 /nfs/dbraw/zinc/26/92/46/357269246.db2.gz ITVPMZIXPNKTTR-UHFFFAOYSA-N 2 0 298.431 -0.193 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000636286411 357276590 /nfs/dbraw/zinc/27/65/90/357276590.db2.gz BQPHXBMLUOUJAL-LLVKDONJSA-N 2 0 255.362 -0.489 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000636287646 357276709 /nfs/dbraw/zinc/27/67/09/357276709.db2.gz KORUXUYCCISLCK-VXGBXAGGSA-N 2 0 255.362 -0.489 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000636291438 357277670 /nfs/dbraw/zinc/27/76/70/357277670.db2.gz KORUXUYCCISLCK-NEPJUHHUSA-N 2 0 255.362 -0.489 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636290963 357278017 /nfs/dbraw/zinc/27/80/17/357278017.db2.gz FLEBYIIYWMRGJI-ZDUSSCGKSA-N 2 0 299.415 -0.472 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000637814188 357369640 /nfs/dbraw/zinc/36/96/40/357369640.db2.gz IRIAFMUTQBSLSN-NTZNESFSSA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)C1 ZINC000637823351 357371315 /nfs/dbraw/zinc/37/13/15/357371315.db2.gz RKJVSDONNNOYLM-MDZLAQPJSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@H](NC(=O)[C@@]1(C)C[NH2+]CCO1)[C@@H]1CCC[NH2+]C1 ZINC000637822275 357371346 /nfs/dbraw/zinc/37/13/46/357371346.db2.gz YUFQCIYOFLYSCC-DMDPSCGWSA-N 2 0 255.362 -0.131 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000637821519 357371548 /nfs/dbraw/zinc/37/15/48/357371548.db2.gz SMQXCWGMLVIAET-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000637825630 357371816 /nfs/dbraw/zinc/37/18/16/357371816.db2.gz WVQBMTNNMPAXQM-YPMHNXCESA-N 2 0 255.362 -0.048 20 0 CBADRP CCCN(C(=O)CN1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000637832398 357372587 /nfs/dbraw/zinc/37/25/87/357372587.db2.gz ICNRSYKVLKVPGA-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP CC[C@H](C(=O)N(C)CCN1CC[NH2+]CC1)[NH+](C)C ZINC000637831663 357373023 /nfs/dbraw/zinc/37/30/23/357373023.db2.gz BHRXVWQUZAKTHH-GFCCVEGCSA-N 2 0 256.394 -0.310 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000636923821 357312550 /nfs/dbraw/zinc/31/25/50/357312550.db2.gz ZUEWBNAACWXYMG-BNOWGMLFSA-N 2 0 296.415 -0.165 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000636923890 357312798 /nfs/dbraw/zinc/31/27/98/357312798.db2.gz ZUEWBNAACWXYMG-XBFCOCLRSA-N 2 0 296.415 -0.165 20 0 CBADRP C[NH+](C)C1(CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CCC1 ZINC000637069584 357320254 /nfs/dbraw/zinc/32/02/54/357320254.db2.gz CXCYEYGZBUJTOT-GFCCVEGCSA-N 2 0 284.404 -0.164 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H]1CCc2[nH]cnc2C1 ZINC000637157301 357326908 /nfs/dbraw/zinc/32/69/08/357326908.db2.gz SNPIRDBTCNZAHV-QWRGUYRKSA-N 2 0 293.371 -0.367 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000637846787 357376073 /nfs/dbraw/zinc/37/60/73/357376073.db2.gz DIROOWIAXGQERA-DMDPSCGWSA-N 2 0 255.362 -0.049 20 0 CBADRP CC(C)C[C@](C)(C[NH3+])NC(=O)CN1CC[NH2+]CC1 ZINC000637848892 357376140 /nfs/dbraw/zinc/37/61/40/357376140.db2.gz LKHLOWZIUHTJFG-CYBMUJFWSA-N 2 0 256.394 -0.229 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000637530375 357356359 /nfs/dbraw/zinc/35/63/59/357356359.db2.gz BOVFDMBWNQGKKC-SRVKXCTJSA-N 2 0 270.377 -0.603 20 0 CBADRP C[NH+](C)CC1(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000637797644 357364301 /nfs/dbraw/zinc/36/43/01/357364301.db2.gz BILOFRDGCVYOOZ-UHFFFAOYSA-N 2 0 268.405 -0.260 20 0 CBADRP [NH3+]C[C@@]1(C(=O)NCCCN2CC[NH2+]CC2)CCCOC1 ZINC000637797778 357364506 /nfs/dbraw/zinc/36/45/06/357364506.db2.gz IYPCUXFSUYPQOM-AWEZNQCLSA-N 2 0 284.404 -0.847 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCOCCOC)C1 ZINC000637801426 357366663 /nfs/dbraw/zinc/36/66/63/357366663.db2.gz KBIKHXCRKZLZCO-CYBMUJFWSA-N 2 0 287.404 -0.208 20 0 CBADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCCC[NH3+] ZINC000637801603 357367034 /nfs/dbraw/zinc/36/70/34/357367034.db2.gz HUGPPDFRSXAEJD-CYBMUJFWSA-N 2 0 264.373 -0.089 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@]2(COC)CCCC[NH2+]2)C1 ZINC000637802526 357367045 /nfs/dbraw/zinc/36/70/45/357367045.db2.gz SEXQKXSAUFRLJB-DGCLKSJQSA-N 2 0 255.362 -0.035 20 0 CBADRP CC(C)CC[C@H]([NH3+])C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000637809634 357367765 /nfs/dbraw/zinc/36/77/65/357367765.db2.gz DCEUCBMFLMCCKF-LBPRGKRZSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000637809229 357367818 /nfs/dbraw/zinc/36/78/18/357367818.db2.gz NJZFPHWJKDBXNH-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000637805275 357367843 /nfs/dbraw/zinc/36/78/43/357367843.db2.gz XJMSTILIIKWBQO-DGCLKSJQSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCCN2CC[NH2+]CC2)CC[N@@H+]1C ZINC000637811507 357368325 /nfs/dbraw/zinc/36/83/25/357368325.db2.gz PHYALKSDYFQZGK-QWHCGFSZSA-N 2 0 268.405 -0.262 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NCCN2CC[NH2+]CC2)cn1 ZINC000637811558 357368774 /nfs/dbraw/zinc/36/87/74/357368774.db2.gz QDDNIFSJDNAORH-UHFFFAOYSA-N 2 0 294.403 -0.920 20 0 CBADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000637811494 357368779 /nfs/dbraw/zinc/36/87/79/357368779.db2.gz MFKOGCVFGJJSNJ-ZIAGYGMSSA-N 2 0 276.384 -0.076 20 0 CBADRP [NH3+]CC[C@@H]1CCCCN1C(=O)CN1CC[NH2+]CC1 ZINC000638232178 357440606 /nfs/dbraw/zinc/44/06/06/357440606.db2.gz DTAOHCQWTCZNTF-LBPRGKRZSA-N 2 0 254.378 -0.379 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000638235498 357441251 /nfs/dbraw/zinc/44/12/51/357441251.db2.gz WSFHZYJCPKUBQB-CQSZACIVSA-N 2 0 266.389 -0.506 20 0 CBADRP [NH3+]C[C@]1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCCOC1 ZINC000638242259 357441922 /nfs/dbraw/zinc/44/19/22/357441922.db2.gz WBMLYQZDAUSRPD-DZGCQCFKSA-N 2 0 296.415 -0.752 20 0 CBADRP C[C@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[NH+](C)C ZINC000638240879 357441996 /nfs/dbraw/zinc/44/19/96/357441996.db2.gz MXSXOIDCDIYGCT-NEPJUHHUSA-N 2 0 254.378 -0.557 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)CN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000638058286 357407682 /nfs/dbraw/zinc/40/76/82/357407682.db2.gz AFADCAVWFGUUSN-OKILXGFUSA-N 2 0 298.431 -0.493 20 0 CBADRP C[C@H]1C[NH+](CCCNC(=O)CN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000638058285 357407810 /nfs/dbraw/zinc/40/78/10/357407810.db2.gz AFADCAVWFGUUSN-KBPBESRZSA-N 2 0 298.431 -0.493 20 0 CBADRP [NH3+]C[C@]1(C(=O)NCCCC[NH+]2CCOCC2)CCCOC1 ZINC000638068243 357409016 /nfs/dbraw/zinc/40/90/16/357409016.db2.gz VYSNTEGGRPIXOO-OAHLLOKOSA-N 2 0 299.415 -0.030 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000638243641 357442348 /nfs/dbraw/zinc/44/23/48/357442348.db2.gz CDNAKTGIVIOKQY-LLVKDONJSA-N 2 0 252.362 -0.850 20 0 CBADRP C[C@]1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000638083506 357413751 /nfs/dbraw/zinc/41/37/51/357413751.db2.gz FWNHIVBYFJMFPO-GXFFZTMASA-N 2 0 253.346 -0.282 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1OCC[C@@H]1[NH3+])C1CC[NH+](C)CC1 ZINC000638092124 357414272 /nfs/dbraw/zinc/41/42/72/357414272.db2.gz UMXBYDKLFYDDBG-ADEWGFFLSA-N 2 0 255.362 -0.051 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638091429 357414401 /nfs/dbraw/zinc/41/44/01/357414401.db2.gz NYNBEGGFEUUGLN-ZDUSSCGKSA-N 2 0 273.377 -0.564 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638090927 357414772 /nfs/dbraw/zinc/41/47/72/357414772.db2.gz IWSNMZIWECFPPD-YPMHNXCESA-N 2 0 273.377 -0.552 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000638239859 357442524 /nfs/dbraw/zinc/44/25/24/357442524.db2.gz DYXGYYXBQKVFLF-KGLIPLIRSA-N 2 0 280.416 -0.023 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638097417 357415967 /nfs/dbraw/zinc/41/59/67/357415967.db2.gz UFKCZGJKBNJLPN-WCQYABFASA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638097418 357416016 /nfs/dbraw/zinc/41/60/16/357416016.db2.gz UFKCZGJKBNJLPN-YPMHNXCESA-N 2 0 255.362 -0.083 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638099403 357417002 /nfs/dbraw/zinc/41/70/02/357417002.db2.gz HMGGKMJYTNZFCA-YPMHNXCESA-N 2 0 271.361 -0.798 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638102797 357418058 /nfs/dbraw/zinc/41/80/58/357418058.db2.gz WUJBCYMRRKQDGF-GXTWGEPZSA-N 2 0 285.388 -0.421 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638102067 357418159 /nfs/dbraw/zinc/41/81/59/357418159.db2.gz XJVZOWRBISDELL-UKRRQHHQSA-N 2 0 299.415 -0.031 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000638112903 357421109 /nfs/dbraw/zinc/42/11/09/357421109.db2.gz WUJGGOVCLNCHII-JSGCOSHPSA-N 2 0 299.415 -0.020 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638125166 357421607 /nfs/dbraw/zinc/42/16/07/357421607.db2.gz IMXRXCHCYFATRW-OAHLLOKOSA-N 2 0 299.415 -0.031 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC[NH+]2CCC(OC)CC2)C1 ZINC000638126070 357422829 /nfs/dbraw/zinc/42/28/29/357422829.db2.gz PBSKTGOCSLUAKW-UKRRQHHQSA-N 2 0 299.415 -0.020 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000638246692 357442811 /nfs/dbraw/zinc/44/28/11/357442811.db2.gz DGCNNSJWKNHVRM-UXCLJVHYSA-N 2 0 259.325 -0.430 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638135835 357424022 /nfs/dbraw/zinc/42/40/22/357424022.db2.gz CUSSKPZGTCSOQF-CQSZACIVSA-N 2 0 284.404 -0.895 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638137726 357424295 /nfs/dbraw/zinc/42/42/95/357424295.db2.gz MRJWGFSDARVIJS-UHFFFAOYSA-N 2 0 297.447 -0.965 20 0 CBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638136827 357424428 /nfs/dbraw/zinc/42/44/28/357424428.db2.gz BNJFVHAUEHVUGM-MELADBBJSA-N 2 0 298.431 -0.508 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000638134942 357424483 /nfs/dbraw/zinc/42/44/83/357424483.db2.gz QNPMKKGYQCDZSC-NWDGAFQWSA-N 2 0 266.389 -0.367 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638137099 357424501 /nfs/dbraw/zinc/42/45/01/357424501.db2.gz RKMNIZGNQWYUKG-HNNXBMFYSA-N 2 0 298.431 -0.504 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638142119 357424682 /nfs/dbraw/zinc/42/46/82/357424682.db2.gz YKDWYHHARLJNRR-DZGCQCFKSA-N 2 0 298.431 -0.506 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000638141017 357425094 /nfs/dbraw/zinc/42/50/94/357425094.db2.gz DIIGJQWYJRAXJR-AWEZNQCLSA-N 2 0 280.416 -0.118 20 0 CBADRP C[C@H](CNC(=O)C1=CC[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000638139961 357425433 /nfs/dbraw/zinc/42/54/33/357425433.db2.gz IJJLOJAOBHOWJE-YPMHNXCESA-N 2 0 266.389 -0.214 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638139019 357425543 /nfs/dbraw/zinc/42/55/43/357425543.db2.gz AVSCMOMTHISHMQ-JSGCOSHPSA-N 2 0 284.404 -0.883 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H]([NH3+])C2CC2)CCCC[NH2+]1 ZINC000638152014 357426949 /nfs/dbraw/zinc/42/69/49/357426949.db2.gz CFZSBIRHVNOEKD-YPMHNXCESA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638158607 357427858 /nfs/dbraw/zinc/42/78/58/357427858.db2.gz RBXVBSKWLXEQMP-GMXVVIOVSA-N 2 0 255.362 -0.062 20 0 CBADRP C[C@@]1(C(=O)N2CCC3(CC[NH2+]C3)CC2)C[NH2+]CCO1 ZINC000638246984 357443129 /nfs/dbraw/zinc/44/31/29/357443129.db2.gz MQVRIYOQKXMUIV-ZDUSSCGKSA-N 2 0 267.373 -0.033 20 0 CBADRP CC1(CNC(=O)[C@]2(C)C[NH2+]CCO2)CC[NH2+]CC1 ZINC000638162131 357428246 /nfs/dbraw/zinc/42/82/46/357428246.db2.gz MMPXPIHJZHYVDJ-ZDUSSCGKSA-N 2 0 255.362 -0.129 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)CN1CC[NH2+]CC1 ZINC000638158634 357428705 /nfs/dbraw/zinc/42/87/05/357428705.db2.gz KKCOMHFECNDVCI-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@@H]21 ZINC000638164982 357429372 /nfs/dbraw/zinc/42/93/72/357429372.db2.gz LBSAHBXVWJRKOP-RWMBFGLXSA-N 2 0 266.389 -0.523 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000638164888 357429579 /nfs/dbraw/zinc/42/95/79/357429579.db2.gz MVCIVVOBECIEOX-KQSJRHEJSA-N 2 0 253.346 -0.312 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000638169886 357430453 /nfs/dbraw/zinc/43/04/53/357430453.db2.gz MXUORNVDHWLAOU-YPMHNXCESA-N 2 0 255.362 -0.083 20 0 CBADRP [NH3+]C[C@]1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCCOC1 ZINC000638168512 357430628 /nfs/dbraw/zinc/43/06/28/357430628.db2.gz BAIWQUXZEJSZKK-UONOGXRCSA-N 2 0 267.373 -0.046 20 0 CBADRP COc1cccc([C@H]([NH3+])C(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000638173296 357431392 /nfs/dbraw/zinc/43/13/92/357431392.db2.gz VNOXVGCQZKLZOB-OLZOCXBDSA-N 2 0 279.340 -0.119 20 0 CBADRP CC(C)[C@H]1CN(C(=O)CN2CC[NH2+]CC2)CC[NH2+]1 ZINC000638196837 357433457 /nfs/dbraw/zinc/43/34/57/357433457.db2.gz OIACGENBJWEUJN-GFCCVEGCSA-N 2 0 254.378 -0.652 20 0 CBADRP [NH3+]C[C@]1(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CCCOC1 ZINC000638203516 357433787 /nfs/dbraw/zinc/43/37/87/357433787.db2.gz VBKZGMVKMFQOHV-YRGRVCCFSA-N 2 0 267.373 -0.048 20 0 CBADRP CC[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000638202716 357434451 /nfs/dbraw/zinc/43/44/51/357434451.db2.gz JECGMLSZIKGRMU-VXGBXAGGSA-N 2 0 254.378 -0.523 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)CCC1C[NH2+]C1 ZINC000638209594 357435141 /nfs/dbraw/zinc/43/51/41/357435141.db2.gz KVAXABUNDRLENW-CYBMUJFWSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638209941 357435285 /nfs/dbraw/zinc/43/52/85/357435285.db2.gz ZDGPOYHUXGAFRM-GVXVVHGQSA-N 2 0 255.362 -0.001 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638213778 357435423 /nfs/dbraw/zinc/43/54/23/357435423.db2.gz IXRQRIIILWWFDH-OKILXGFUSA-N 2 0 299.415 -0.351 20 0 CBADRP [NH3+]CCN(CCc1ccccc1)C(=O)CN1CC[NH2+]CC1 ZINC000638222593 357436251 /nfs/dbraw/zinc/43/62/51/357436251.db2.gz BHHHFHGAJZVFRR-UHFFFAOYSA-N 2 0 290.411 -0.078 20 0 CBADRP [NH3+]C[C@]1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCCOC1 ZINC000638226291 357437017 /nfs/dbraw/zinc/43/70/17/357437017.db2.gz FDOQRNWUFNFNQF-UKRRQHHQSA-N 2 0 296.415 -0.752 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000638226724 357437142 /nfs/dbraw/zinc/43/71/42/357437142.db2.gz IOHZXJVFOIEZOL-ZIAGYGMSSA-N 2 0 280.416 -0.166 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638226178 357437692 /nfs/dbraw/zinc/43/76/92/357437692.db2.gz LAEIFZQRSFVMOC-YFKTTZPYSA-N 2 0 252.362 -0.025 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1)[NH+](C)C ZINC000638227494 357438035 /nfs/dbraw/zinc/43/80/35/357438035.db2.gz APHLKLLYMFYQKJ-IJLUTSLNSA-N 2 0 255.362 -0.084 20 0 CBADRP COC[C@]1(CNC(=O)C2=CC[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000638229322 357439000 /nfs/dbraw/zinc/43/90/00/357439000.db2.gz LRAYBPQLGSETGN-WCQYABFASA-N 2 0 253.346 -0.081 20 0 CBADRP COC[C@]1(CNC(=O)C2=CC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000638229321 357439204 /nfs/dbraw/zinc/43/92/04/357439204.db2.gz LRAYBPQLGSETGN-DGCLKSJQSA-N 2 0 253.346 -0.081 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)C1 ZINC000638229261 357439264 /nfs/dbraw/zinc/43/92/64/357439264.db2.gz ISFZNKVWBWVMIP-FMSGJZPZSA-N 2 0 283.372 -0.657 20 0 CBADRP [NH3+][C@H]1CC=C(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000638231069 357440055 /nfs/dbraw/zinc/44/00/55/357440055.db2.gz ZEDASHFIROODPC-STQMWFEESA-N 2 0 264.373 -0.460 20 0 CBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CN1CC[NH2+]CC1 ZINC000637864670 357379412 /nfs/dbraw/zinc/37/94/12/357379412.db2.gz PGJAUZCDLCOYOI-LBPRGKRZSA-N 2 0 256.394 -0.277 20 0 CBADRP CN1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](C[NH3+])C1 ZINC000637865936 357379418 /nfs/dbraw/zinc/37/94/18/357379418.db2.gz GNWXCLUWLDPWMJ-RYUDHWBXSA-N 2 0 254.378 -0.428 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCO1 ZINC000637867156 357380156 /nfs/dbraw/zinc/38/01/56/357380156.db2.gz RXPCDJSAIVJYOF-RNJOBUHISA-N 2 0 283.372 -0.576 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCO1 ZINC000637867154 357380590 /nfs/dbraw/zinc/38/05/90/357380590.db2.gz RXPCDJSAIVJYOF-CYDGBPFRSA-N 2 0 283.372 -0.576 20 0 CBADRP CO[C@]1(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCOC1 ZINC000638571633 357495415 /nfs/dbraw/zinc/49/54/15/357495415.db2.gz NQDBEFVAQUYFAN-HIFRSBDPSA-N 2 0 299.415 -0.031 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000638571387 357495675 /nfs/dbraw/zinc/49/56/75/357495675.db2.gz PQRSZMWJFKLSGD-QWHCGFSZSA-N 2 0 296.415 -0.168 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@@H]([NH3+])Cc1cccc(OC)c1 ZINC000638575743 357496386 /nfs/dbraw/zinc/49/63/86/357496386.db2.gz RHJSOGOFBHYPJZ-AWEZNQCLSA-N 2 0 295.383 -0.083 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@@]1(COC)CCCC[NH2+]1 ZINC000638575831 357496470 /nfs/dbraw/zinc/49/64/70/357496470.db2.gz SGGHKDPFKCSUHP-ZDUSSCGKSA-N 2 0 273.377 -0.503 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638577026 357497107 /nfs/dbraw/zinc/49/71/07/357497107.db2.gz VPIHWWHZEYXEFC-LOWVWBTDSA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]([NH3+])CC(F)F ZINC000638592909 357499403 /nfs/dbraw/zinc/49/94/03/357499403.db2.gz VEQRUIFWRSDTKW-QMMMGPOBSA-N 2 0 253.293 -0.337 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000638591293 357499460 /nfs/dbraw/zinc/49/94/60/357499460.db2.gz GVSBTZXIXFZALY-JTQLQIEISA-N 2 0 279.331 -0.074 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)COCC[NH3+])CC1 ZINC000638603366 357500001 /nfs/dbraw/zinc/50/00/01/357500001.db2.gz RJOUUSNKEIQAAI-UHFFFAOYSA-N 2 0 285.388 -0.325 20 0 CBADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000638610299 357502428 /nfs/dbraw/zinc/50/24/28/357502428.db2.gz BUKXOAZLRHFTDF-JSGCOSHPSA-N 2 0 293.367 -0.330 20 0 CBADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000638610306 357502801 /nfs/dbraw/zinc/50/28/01/357502801.db2.gz BUKXOAZLRHFTDF-TZMCWYRMSA-N 2 0 293.367 -0.330 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000638613317 357505015 /nfs/dbraw/zinc/50/50/15/357505015.db2.gz HVSASXXHAFDSNJ-WZRBSPASSA-N 2 0 253.346 -0.519 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000638613131 357505284 /nfs/dbraw/zinc/50/52/84/357505284.db2.gz GYKYUCZAUUYCFW-TZMCWYRMSA-N 2 0 275.352 -0.022 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000638613316 357505503 /nfs/dbraw/zinc/50/55/03/357505503.db2.gz HVSASXXHAFDSNJ-NTZNESFSSA-N 2 0 253.346 -0.519 20 0 CBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H]2COCC[NH2+]2)C1(C)C ZINC000638616238 357507516 /nfs/dbraw/zinc/50/75/16/357507516.db2.gz PAUIYRRZAKCING-WDMOLILDSA-N 2 0 285.388 -0.377 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C[NH2+]CCO1 ZINC000638248062 357444594 /nfs/dbraw/zinc/44/45/94/357444594.db2.gz AXPAIXYGZAVITA-SCRDCRAPSA-N 2 0 267.373 -0.177 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000638262797 357444856 /nfs/dbraw/zinc/44/48/56/357444856.db2.gz NTSGAVKHVCLAKV-KBPBESRZSA-N 2 0 280.416 -0.260 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000638258430 357445461 /nfs/dbraw/zinc/44/54/61/357445461.db2.gz HEWSWLHRMMNQDI-LLVKDONJSA-N 2 0 253.350 -0.088 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000638263435 357445904 /nfs/dbraw/zinc/44/59/04/357445904.db2.gz BTWAOMRRVWJYQM-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000638266227 357446427 /nfs/dbraw/zinc/44/64/27/357446427.db2.gz OVOZJRQAWFRVPJ-CYBMUJFWSA-N 2 0 299.415 -0.161 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000638263443 357446468 /nfs/dbraw/zinc/44/64/68/357446468.db2.gz BYVIXODTGDAQBK-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@@H]1OCC[C@@H]1[NH3+])C(F)(F)F ZINC000638268644 357447474 /nfs/dbraw/zinc/44/74/74/357447474.db2.gz RWTXAXVFWBAZMK-LYFYHCNISA-N 2 0 255.240 -0.502 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638276457 357447970 /nfs/dbraw/zinc/44/79/70/357447970.db2.gz YBCVYOYLLPPUAX-AWEZNQCLSA-N 2 0 285.388 -0.454 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638276459 357448594 /nfs/dbraw/zinc/44/85/94/357448594.db2.gz YBCVYOYLLPPUAX-CQSZACIVSA-N 2 0 285.388 -0.454 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[NH2+]CCC1(F)F ZINC000638617181 357508866 /nfs/dbraw/zinc/50/88/66/357508866.db2.gz XGNUCLBXDOSOKB-BDAKNGLRSA-N 2 0 263.288 -0.664 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CN1CC[NH2+]CC1 ZINC000638284449 357451261 /nfs/dbraw/zinc/45/12/61/357451261.db2.gz GVHVRICKZLAEKM-QWHCGFSZSA-N 2 0 268.405 -0.310 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCOCC[NH+](C)C)C1 ZINC000638290494 357451374 /nfs/dbraw/zinc/45/13/74/357451374.db2.gz HOOCEOOHUQNNIX-DGCLKSJQSA-N 2 0 273.377 -0.552 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000638617415 357509155 /nfs/dbraw/zinc/50/91/55/357509155.db2.gz ZDIQMJZAXNZRDG-NXEZZACHSA-N 2 0 279.344 -0.795 20 0 CBADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000638338164 357459052 /nfs/dbraw/zinc/45/90/52/357459052.db2.gz SIVLVBMYGASLEG-UONOGXRCSA-N 2 0 293.367 -0.330 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H]2C[NH2+]CCO2)CCCC[NH2+]1 ZINC000638336993 357459413 /nfs/dbraw/zinc/45/94/13/357459413.db2.gz ANHXDEVKLTVCGS-AAEUAGOBSA-N 2 0 271.361 -0.750 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000638343939 357460284 /nfs/dbraw/zinc/46/02/84/357460284.db2.gz PZSNTONNZGADTM-RYUDHWBXSA-N 2 0 255.362 -0.096 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@]2(C[NH3+])CCCOC2)CCCO1 ZINC000638342590 357460466 /nfs/dbraw/zinc/46/04/66/357460466.db2.gz HWEDYMIQPIWETM-AAEUAGOBSA-N 2 0 271.361 -0.682 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000638342465 357460859 /nfs/dbraw/zinc/46/08/59/357460859.db2.gz FZFGEJPHTPUFTG-CYBMUJFWSA-N 2 0 299.415 -0.079 20 0 CBADRP COC[C@]1(C(=O)N2CCC(O)(C[NH3+])CC2)CCCC[NH2+]1 ZINC000638354430 357461332 /nfs/dbraw/zinc/46/13/32/357461332.db2.gz MIKHULOJFPQMDA-AWEZNQCLSA-N 2 0 285.388 -0.543 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000638345552 357461821 /nfs/dbraw/zinc/46/18/21/357461821.db2.gz ZGLKNIVPXFNLIT-NSHDSACASA-N 2 0 255.362 -0.096 20 0 CBADRP C[C@H]1CCCN(C(=O)CN2CC[NH2+]CC2)[C@@H]1CC[NH3+] ZINC000638391624 357466840 /nfs/dbraw/zinc/46/68/40/357466840.db2.gz XHVZJAMNHMOGGL-QWHCGFSZSA-N 2 0 268.405 -0.133 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638409172 357470913 /nfs/dbraw/zinc/47/09/13/357470913.db2.gz MUYJTEYUADGWTK-CQSZACIVSA-N 2 0 286.420 -0.635 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638413647 357471525 /nfs/dbraw/zinc/47/15/25/357471525.db2.gz CESRQDXKEDOZMC-LBPRGKRZSA-N 2 0 282.388 -0.488 20 0 CBADRP C[C@H]([NH3+])CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000638413957 357471944 /nfs/dbraw/zinc/47/19/44/357471944.db2.gz JSHDTIIBIZBYQK-JTQLQIEISA-N 2 0 258.366 -0.798 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000638433197 357475836 /nfs/dbraw/zinc/47/58/36/357475836.db2.gz RUFDIMNPCFPSSZ-SNVBAGLBSA-N 2 0 253.350 -0.218 20 0 CBADRP COc1cccc([C@@H]([NH3+])C(=O)N2CCOC3(C[NH2+]C3)C2)c1 ZINC000638437165 357476474 /nfs/dbraw/zinc/47/64/74/357476474.db2.gz KDAXZTBZTZLWOR-CYBMUJFWSA-N 2 0 291.351 -0.104 20 0 CBADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000638438740 357476848 /nfs/dbraw/zinc/47/68/48/357476848.db2.gz ZBAZIROZEGEQAP-LLVKDONJSA-N 2 0 255.362 -0.049 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000638439250 357477619 /nfs/dbraw/zinc/47/76/19/357477619.db2.gz DGRSSXKJDLNFEV-NSHDSACASA-N 2 0 253.346 -0.471 20 0 CBADRP CNC(=O)CC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638444068 357479091 /nfs/dbraw/zinc/47/90/91/357479091.db2.gz WSOUTFVSENWTQN-UHFFFAOYSA-N 2 0 257.378 -0.053 20 0 CBADRP C[NH2+]CCCC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638476887 357481997 /nfs/dbraw/zinc/48/19/97/357481997.db2.gz MACIEXMVIJDQAW-UHFFFAOYSA-N 2 0 297.403 -0.845 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000638484130 357482869 /nfs/dbraw/zinc/48/28/69/357482869.db2.gz OLSIWTPYJYPMDA-RYUDHWBXSA-N 2 0 255.362 -0.179 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)N1CCNCC1=O ZINC000638491176 357483996 /nfs/dbraw/zinc/48/39/96/357483996.db2.gz FXGJLTGWKNGGCA-RYUDHWBXSA-N 2 0 282.388 -0.737 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000638487800 357484301 /nfs/dbraw/zinc/48/43/01/357484301.db2.gz CKTKCPQUSLKFSS-NEPJUHHUSA-N 2 0 255.362 -0.179 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000638494887 357485776 /nfs/dbraw/zinc/48/57/76/357485776.db2.gz BZTAQJQKDAVSOM-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1[NH2+]CCc2ccccc21 ZINC000638623229 357511189 /nfs/dbraw/zinc/51/11/89/357511189.db2.gz AOSIKYKRMRVYDV-OCCSQVGLSA-N 2 0 275.352 -0.022 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638510287 357490964 /nfs/dbraw/zinc/49/09/64/357490964.db2.gz WHLSLBFBYJMZGA-JQWIXIFHSA-N 2 0 282.388 -0.513 20 0 CBADRP CC1(OCC(=O)N[C@H]2CC[NH2+]C23CCC3)C[NH2+]C1 ZINC000638507199 357491080 /nfs/dbraw/zinc/49/10/80/357491080.db2.gz BUSOXQSDXBOWTA-JTQLQIEISA-N 2 0 253.346 -0.234 20 0 CBADRP CCN(CC[NH3+])C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000638517632 357492593 /nfs/dbraw/zinc/49/25/93/357492593.db2.gz XWOVHYFCILMPAP-UHFFFAOYSA-N 2 0 265.361 -0.231 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCC1([NH3+])CCOCC1 ZINC000638540546 357493334 /nfs/dbraw/zinc/49/33/34/357493334.db2.gz OQLCYOPEPKOYDK-WDEREUQCSA-N 2 0 255.362 -0.015 20 0 CBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH3+])CCOCC1 ZINC000638541770 357494603 /nfs/dbraw/zinc/49/46/03/357494603.db2.gz WYEDXASBASFFKU-WDEREUQCSA-N 2 0 255.362 -0.001 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1(C[NH3+])CCOCC1 ZINC000638633876 357513890 /nfs/dbraw/zinc/51/38/90/357513890.db2.gz INSVYXXKFHJFIM-QWRGUYRKSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]C[C@H]1CCC[C@@H]1C(=O)NC1(C[NH3+])CCOCC1 ZINC000638634542 357514013 /nfs/dbraw/zinc/51/40/13/357514013.db2.gz QJDHDEQBIGZTBC-MNOVXSKESA-N 2 0 255.362 -0.015 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)[C@]2(C[NH3+])CCCOC2)C[NH2+]1 ZINC000638638907 357514539 /nfs/dbraw/zinc/51/45/39/357514539.db2.gz HBLWRKCCZPXFSC-MDZLAQPJSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)c2cn(CCC[NH3+])nn2)C[NH2+]1 ZINC000638642468 357514541 /nfs/dbraw/zinc/51/45/41/357514541.db2.gz HDQKBMDHQHBRSI-ZJUUUORDSA-N 2 0 266.349 -0.503 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000638641982 357514553 /nfs/dbraw/zinc/51/45/53/357514553.db2.gz GWVSSBVGHKWEHA-STQMWFEESA-N 2 0 268.405 -0.119 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C[NH2+]1 ZINC000638643925 357514630 /nfs/dbraw/zinc/51/46/30/357514630.db2.gz NJYPWQVHINVHIL-GRYCIOLGSA-N 2 0 292.387 -0.100 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)C[NH2+]1 ZINC000638642467 357514784 /nfs/dbraw/zinc/51/47/84/357514784.db2.gz HDQKBMDHQHBRSI-VHSXEESVSA-N 2 0 266.349 -0.503 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C[NH2+]1 ZINC000638641500 357514806 /nfs/dbraw/zinc/51/48/06/357514806.db2.gz DADRUYNQSAYGIA-ZPFDUUQYSA-N 2 0 253.346 -0.521 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000638641978 357514814 /nfs/dbraw/zinc/51/48/14/357514814.db2.gz GWVSSBVGHKWEHA-OLZOCXBDSA-N 2 0 268.405 -0.119 20 0 CBADRP [NH3+]CCCOCCNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000638662398 357517476 /nfs/dbraw/zinc/51/74/76/357517476.db2.gz WAVCOEYJNNRGKA-ZDUSSCGKSA-N 2 0 295.387 -0.097 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCOCCC[NH3+])C1 ZINC000638662506 357517576 /nfs/dbraw/zinc/51/75/76/357517576.db2.gz CORUPIVDNFNRFG-ZYHUDNBSSA-N 2 0 259.350 -0.765 20 0 CBADRP CN(CCOCC[NH3+])C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000638672274 357518305 /nfs/dbraw/zinc/51/83/05/357518305.db2.gz CFLNQZNNIZSVKY-UHFFFAOYSA-N 2 0 287.404 -0.222 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000638673774 357518709 /nfs/dbraw/zinc/51/87/09/357518709.db2.gz ZIQLRRLRHORQPW-YPMHNXCESA-N 2 0 255.362 -0.190 20 0 CBADRP COC[C@@]1(C(=O)N(C)CCOCC[NH3+])CCCC[NH2+]1 ZINC000638674664 357519039 /nfs/dbraw/zinc/51/90/39/357519039.db2.gz XRQJOGCWGCYAEF-CYBMUJFWSA-N 2 0 273.377 -0.421 20 0 CBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(C)CCOCC[NH3+])C1(C)C ZINC000638674310 357519145 /nfs/dbraw/zinc/51/91/45/357519145.db2.gz IDDJBAVIHQUGRZ-BXUZGUMPSA-N 2 0 287.404 -0.047 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000638767974 357527483 /nfs/dbraw/zinc/52/74/83/357527483.db2.gz NWHHQNZMODUYFA-GARJFASQSA-N 2 0 278.360 -0.490 20 0 CBADRP [NH3+]CCOCC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638842014 357534985 /nfs/dbraw/zinc/53/49/85/357534985.db2.gz IZKBXCPLFGIPLY-UHFFFAOYSA-N 2 0 263.341 -0.076 20 0 CBADRP [NH3+]CC(=O)NCC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638845132 357535018 /nfs/dbraw/zinc/53/50/18/357535018.db2.gz JSIFBBTWJBRHAI-UHFFFAOYSA-N 2 0 276.340 -0.977 20 0 CBADRP O=C(NCc1cccc2c1CC[NH2+]C2)[C@@H]1C[NH2+]CCO1 ZINC000638841790 357535759 /nfs/dbraw/zinc/53/57/59/357535759.db2.gz DVJXBECZQAFTGY-AWEZNQCLSA-N 2 0 275.352 -0.063 20 0 CBADRP CN(C(=O)[C@H](N)CC[NH+](C)C)[C@@H]1C[NH+]2CCC1CC2 ZINC000638853784 357539200 /nfs/dbraw/zinc/53/92/00/357539200.db2.gz JSYINICGKDFAGK-CHWSQXEVSA-N 2 0 268.405 -0.182 20 0 CBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)C3(C)C[NH2+]C3)CC2)C1=O ZINC000638856823 357539237 /nfs/dbraw/zinc/53/92/37/357539237.db2.gz UMUWDPYDOMVRGQ-LBPRGKRZSA-N 2 0 294.399 -0.593 20 0 CBADRP CN(C(=O)[C@@H](N)CC[NH+](C)C)[C@@H]1C[NH+]2CCC1CC2 ZINC000638853786 357539284 /nfs/dbraw/zinc/53/92/84/357539284.db2.gz JSYINICGKDFAGK-QWHCGFSZSA-N 2 0 268.405 -0.182 20 0 CBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3C[C@@H]([NH3+])C3)CC2)C1=O ZINC000638855924 357539290 /nfs/dbraw/zinc/53/92/90/357539290.db2.gz IPZTXMOYVGYZJZ-NTZNESFSSA-N 2 0 294.399 -0.465 20 0 CBADRP O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917999 357543559 /nfs/dbraw/zinc/54/35/59/357543559.db2.gz WUMRILRQNMCJOI-GUBZILKMSA-N 2 0 261.329 -0.327 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925660 357544142 /nfs/dbraw/zinc/54/41/42/357544142.db2.gz RPIMKWBAJXISLR-GRYCIOLGSA-N 2 0 280.372 -0.793 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000638926220 357544489 /nfs/dbraw/zinc/54/44/89/357544489.db2.gz WYGMTNKPXSXPKM-RWMBFGLXSA-N 2 0 294.399 -0.641 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000638967245 357547399 /nfs/dbraw/zinc/54/73/99/357547399.db2.gz LHJZDXUQEQJBPB-IJLUTSLNSA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH+]1CCC(n2cc(NC(=O)C3(O)C[NH2+]C3)cn2)CC1 ZINC000638977537 357547951 /nfs/dbraw/zinc/54/79/51/357547951.db2.gz MAZJZNMYDBGXRN-UHFFFAOYSA-N 2 0 279.344 -0.577 20 0 CBADRP CCC1([NH+](C)C)CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000638979568 357548099 /nfs/dbraw/zinc/54/80/99/357548099.db2.gz FMOSPCSALLHRGK-UHFFFAOYSA-N 2 0 255.362 -0.347 20 0 CBADRP O=C(Cc1nc[nH]n1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638983218 357548647 /nfs/dbraw/zinc/54/86/47/357548647.db2.gz DCDWKDQMKLXFEB-UHFFFAOYSA-N 2 0 287.327 -0.210 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639020877 357553846 /nfs/dbraw/zinc/55/38/46/357553846.db2.gz GCPYHXNMNCZIBC-QJPTWQEYSA-N 2 0 253.346 -0.425 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639028240 357555172 /nfs/dbraw/zinc/55/51/72/357555172.db2.gz XQOGDUZFFDFUPO-UPJWGTAASA-N 2 0 267.373 -0.035 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639026497 357555324 /nfs/dbraw/zinc/55/53/24/357555324.db2.gz GCPYHXNMNCZIBC-WOPDTQHZSA-N 2 0 253.346 -0.425 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@](C)(CO)COC)CC1 ZINC000639950032 357622945 /nfs/dbraw/zinc/62/29/45/357622945.db2.gz RQSLTOOCXDKXIR-AWEZNQCLSA-N 2 0 287.404 -0.426 20 0 CBADRP CN(C)C(=O)CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766930 357597665 /nfs/dbraw/zinc/59/76/65/357597665.db2.gz PSVSHOJJWDGGBN-ZDUSSCGKSA-N 2 0 257.378 -0.147 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000641194282 357678256 /nfs/dbraw/zinc/67/82/56/357678256.db2.gz NSXYFCNMJCIKRT-QJPTWQEYSA-N 2 0 269.393 -0.459 20 0 CBADRP C[C@H](CC[N@@H+]1C[C@@H]2C[C@]2(O)C1)[NH+]1C[C@H]2C[C@@]2(O)C1 ZINC000640481974 357656528 /nfs/dbraw/zinc/65/65/28/357656528.db2.gz OMGMRNCSMJLWMC-XHJNMGKDSA-N 2 0 252.358 -0.102 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000641493515 357713253 /nfs/dbraw/zinc/71/32/53/357713253.db2.gz NUXIRXXJYMJLSA-MNOVXSKESA-N 2 0 272.393 -0.180 20 0 CBADRP CC[N@H+](C)C[C@H](O)Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000641223486 357682608 /nfs/dbraw/zinc/68/26/08/357682608.db2.gz RCVJVSMPTXDLGW-YPMHNXCESA-N 2 0 267.377 -0.257 20 0 CBADRP C[C@H]([NH3+])CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000641423399 357703683 /nfs/dbraw/zinc/70/36/83/357703683.db2.gz AJYADMHPSUFADF-LBPRGKRZSA-N 2 0 299.419 -0.375 20 0 CBADRP NS(=O)(=O)CCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000641797657 357742517 /nfs/dbraw/zinc/74/25/17/357742517.db2.gz FEHKFJZKKUWZCU-GFCCVEGCSA-N 2 0 275.418 -0.014 20 0 CBADRP COCCCS(=O)(=O)NCC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802074 357744306 /nfs/dbraw/zinc/74/43/06/357744306.db2.gz HNCLJHQLPVTSKM-MNOVXSKESA-N 2 0 293.433 -0.342 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000642330413 357753150 /nfs/dbraw/zinc/75/31/50/357753150.db2.gz GHRZFRIDMJURJN-RNJOBUHISA-N 2 0 298.431 -0.068 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)C1CC1 ZINC000642403968 357754311 /nfs/dbraw/zinc/75/43/11/357754311.db2.gz NXWRAQGXFANTLK-DGCLKSJQSA-N 2 0 294.399 -0.593 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000642439451 357755334 /nfs/dbraw/zinc/75/53/34/357755334.db2.gz HOCCTWKMOSLWRV-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000642440137 357755537 /nfs/dbraw/zinc/75/55/37/357755537.db2.gz XANHMTGTWCNZEM-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000642439400 357755625 /nfs/dbraw/zinc/75/56/25/357755625.db2.gz FODVLFBSAGHPTJ-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000642439574 357755696 /nfs/dbraw/zinc/75/56/96/357755696.db2.gz MIEKLCVSDPHPFN-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000642439515 357755754 /nfs/dbraw/zinc/75/57/54/357755754.db2.gz KFIKFNYNNYEPOJ-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000642535629 357756138 /nfs/dbraw/zinc/75/61/38/357756138.db2.gz UCNWQYOJWQIRJY-RYUDHWBXSA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000642548605 357756512 /nfs/dbraw/zinc/75/65/12/357756512.db2.gz XXQUSVLWJRXPGW-WDEREUQCSA-N 2 0 286.420 -0.068 20 0 CBADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)CC[C@@H]1CCCO1 ZINC000643089371 357776800 /nfs/dbraw/zinc/77/68/00/357776800.db2.gz RCHVDHOWUVTJAL-LBPRGKRZSA-N 2 0 293.433 -0.115 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CCC1 ZINC000642698785 357759052 /nfs/dbraw/zinc/75/90/52/357759052.db2.gz PZOSRZMDYMJCSO-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000642718199 357759498 /nfs/dbraw/zinc/75/94/98/357759498.db2.gz SYTYYAOASWUPIH-QJPTWQEYSA-N 2 0 294.399 -0.404 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642755912 357761090 /nfs/dbraw/zinc/76/10/90/357761090.db2.gz ZHHNZGSIPYTWFM-ZJUUUORDSA-N 2 0 258.366 -0.704 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000642785800 357761822 /nfs/dbraw/zinc/76/18/22/357761822.db2.gz LLHHEJDQVQMKNJ-STQMWFEESA-N 2 0 294.399 -0.463 20 0 CBADRP [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000642785649 357762039 /nfs/dbraw/zinc/76/20/39/357762039.db2.gz AXYPCGJEWJNUGQ-OLZOCXBDSA-N 2 0 294.399 -0.560 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000642785657 357762203 /nfs/dbraw/zinc/76/22/03/357762203.db2.gz BWYCHDRDYUOSHP-OLZOCXBDSA-N 2 0 294.399 -0.545 20 0 CBADRP O=C(NCC[NH2+]C1CC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000642785634 357762289 /nfs/dbraw/zinc/76/22/89/357762289.db2.gz ALMHKEZSHVJXPW-CYBMUJFWSA-N 2 0 294.399 -0.545 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000642785655 357762375 /nfs/dbraw/zinc/76/23/75/357762375.db2.gz BGZYXDYABOVZHF-YPMHNXCESA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000642787625 357762526 /nfs/dbraw/zinc/76/25/26/357762526.db2.gz GSBBNPLRRZUFDQ-NSHDSACASA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000642800812 357763701 /nfs/dbraw/zinc/76/37/01/357763701.db2.gz OOKGXXVJOAVJPG-JQWIXIFHSA-N 2 0 282.388 -0.417 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCC1 ZINC000642887378 357764573 /nfs/dbraw/zinc/76/45/73/357764573.db2.gz PHAFHSAZWCHIBY-NEPJUHHUSA-N 2 0 294.399 -0.273 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000642904364 357766207 /nfs/dbraw/zinc/76/62/07/357766207.db2.gz UOABEOLSMRBNNC-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642904850 357766382 /nfs/dbraw/zinc/76/63/82/357766382.db2.gz AHEGGNZSRUDRQQ-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642904851 357766412 /nfs/dbraw/zinc/76/64/12/357766412.db2.gz AHEGGNZSRUDRQQ-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000642909547 357767239 /nfs/dbraw/zinc/76/72/39/357767239.db2.gz PABJKDWAGRQQRB-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000642909369 357767535 /nfs/dbraw/zinc/76/75/35/357767535.db2.gz LMZPSTXATZKJSE-SRVKXCTJSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H](C)[NH3+])C1 ZINC000642910498 357768295 /nfs/dbraw/zinc/76/82/95/357768295.db2.gz HNWDNOCDKRPSKF-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918158 357769455 /nfs/dbraw/zinc/76/94/55/357769455.db2.gz OYDKMTMGDBKMGL-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919268 357770415 /nfs/dbraw/zinc/77/04/15/357770415.db2.gz VFVVVJJHBWKBNJ-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC[NH2+]C3CC3)[C@@H]2C1 ZINC000642919382 357770465 /nfs/dbraw/zinc/77/04/65/357770465.db2.gz YQVHLXGCAPKKDN-DGCLKSJQSA-N 2 0 294.399 -0.593 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919023 357770532 /nfs/dbraw/zinc/77/05/32/357770532.db2.gz LEYVVQSFLJSRKI-UHFFFAOYSA-N 2 0 282.388 -0.591 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000642920738 357771040 /nfs/dbraw/zinc/77/10/40/357771040.db2.gz VUWFYHXQCXPJFW-GFCCVEGCSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000642948197 357772739 /nfs/dbraw/zinc/77/27/39/357772739.db2.gz NVHKJKCFRWOQIY-AGIUHOORSA-N 2 0 296.415 -0.219 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000642969729 357773299 /nfs/dbraw/zinc/77/32/99/357773299.db2.gz SCFSDMUMWLMUIU-CHWSQXEVSA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000642956704 357773606 /nfs/dbraw/zinc/77/36/06/357773606.db2.gz NHJZNAJNCJZBJE-AVGNSLFASA-N 2 0 296.415 -0.170 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000643471883 357784117 /nfs/dbraw/zinc/78/41/17/357784117.db2.gz NWWQRSBXMHBTND-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CN1CCN(C(=O)C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000643472257 357784189 /nfs/dbraw/zinc/78/41/89/357784189.db2.gz MQNMNNDQBHVUIL-STQMWFEESA-N 2 0 268.405 -0.133 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000346266744 283321431 /nfs/dbraw/zinc/32/14/31/283321431.db2.gz BAKPLTHJXVAQEP-AGIUHOORSA-N 2 0 296.415 -0.040 20 0 CBADRP C[C@@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)[NH+](C)C ZINC000424157188 295968768 /nfs/dbraw/zinc/96/87/68/295968768.db2.gz PNNWGKYQZVBTMG-WDEREUQCSA-N 2 0 280.376 -0.118 20 0 CBADRP CNC(=O)NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000331558433 283352448 /nfs/dbraw/zinc/35/24/48/283352448.db2.gz GGBQXIYAIMVTRU-SNVBAGLBSA-N 2 0 268.361 -0.094 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CCCNS(C)(=O)=O)CC[N@@H+]1C ZINC000121135010 291146011 /nfs/dbraw/zinc/14/60/11/291146011.db2.gz YPGJLLLGANMWEN-WDEREUQCSA-N 2 0 263.407 -0.002 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174723250 283361848 /nfs/dbraw/zinc/36/18/48/283361848.db2.gz KBXUDBJXSLGPMI-LBPRGKRZSA-N 2 0 299.419 -0.600 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000347662618 283420016 /nfs/dbraw/zinc/42/00/16/283420016.db2.gz ZRBVIQFEDHFYDP-LBPRGKRZSA-N 2 0 282.388 -0.462 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000341620869 216039406 /nfs/dbraw/zinc/03/94/06/216039406.db2.gz VBJLKYQQGBLHKZ-UONOGXRCSA-N 2 0 299.415 -0.208 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574085501 334991022 /nfs/dbraw/zinc/99/10/22/334991022.db2.gz CBNYDOZHIHYXGM-CYBMUJFWSA-N 2 0 255.362 -0.176 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[NH+](C)C ZINC000341850158 216125515 /nfs/dbraw/zinc/12/55/15/216125515.db2.gz GEYQQYLKFCXBOI-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000361697153 296014162 /nfs/dbraw/zinc/01/41/62/296014162.db2.gz VDCVVDFBIBALBD-NWDGAFQWSA-N 2 0 268.405 -0.040 20 0 CBADRP O=C([C@@H]1CCC[NH2+]1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000515299889 296015448 /nfs/dbraw/zinc/01/54/48/296015448.db2.gz OFVGLLZVZBEZMR-OLZOCXBDSA-N 2 0 294.399 -0.591 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000529389701 283613503 /nfs/dbraw/zinc/61/35/03/283613503.db2.gz SFGHNZCSSIKRHB-JQWIXIFHSA-N 2 0 268.361 -0.489 20 0 CBADRP [NH3+]C[C@@H]1CCCCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529391099 283614195 /nfs/dbraw/zinc/61/41/95/283614195.db2.gz XVEHKNBIHFCKNS-MNOVXSKESA-N 2 0 256.350 -0.502 20 0 CBADRP CC1([NH3+])CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529390753 283614720 /nfs/dbraw/zinc/61/47/20/283614720.db2.gz VVDHHLCVXGZSNU-JTQLQIEISA-N 2 0 256.350 -0.502 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000353113484 219897467 /nfs/dbraw/zinc/89/74/67/219897467.db2.gz QRLMCPFDTJFKHF-LBPRGKRZSA-N 2 0 286.420 -0.060 20 0 CBADRP C[C@H]1[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CCC[N@@H+]1C ZINC000419541707 291284745 /nfs/dbraw/zinc/28/47/45/291284745.db2.gz DGBOCSHDVORLBW-TUAOUCFPSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@H]1[C@@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCC[N@@H+]1C ZINC000419556953 291284863 /nfs/dbraw/zinc/28/48/63/291284863.db2.gz LMMUGOPPUVRJKR-RNJOBUHISA-N 2 0 294.399 -0.594 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNc1cc[nH+]cc1C(N)=O ZINC000302180491 201384638 /nfs/dbraw/zinc/38/46/38/201384638.db2.gz YHSVQOTWHSLOOP-GFCCVEGCSA-N 2 0 252.318 -0.095 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC2([NH3+])CCC2)CC1=O ZINC000342606486 216430600 /nfs/dbraw/zinc/43/06/00/216430600.db2.gz MMBQZMOQXIWKIQ-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@H]1[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)CCC[N@@H+]1C ZINC000419542363 291307402 /nfs/dbraw/zinc/30/74/02/291307402.db2.gz FJPSPHNNGNKUFQ-SDDRHHMPSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000342982920 216621408 /nfs/dbraw/zinc/62/14/08/216621408.db2.gz IBOXPNPHCPFSTL-NQBHXWOUSA-N 2 0 257.378 -0.387 20 0 CBADRP O=C([C@H]1CCC[NH2+]C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377567463 296110813 /nfs/dbraw/zinc/11/08/13/296110813.db2.gz ZLUFDDSPBNIVJU-QWHCGFSZSA-N 2 0 266.389 -0.508 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000574201157 335000402 /nfs/dbraw/zinc/00/04/02/335000402.db2.gz JFFPTFWZFJGJOU-GMXVVIOVSA-N 2 0 253.346 -0.519 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000574201154 335000455 /nfs/dbraw/zinc/00/04/55/335000455.db2.gz JFFPTFWZFJGJOU-DMDPSCGWSA-N 2 0 253.346 -0.519 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000574262261 335004794 /nfs/dbraw/zinc/00/47/94/335004794.db2.gz PVPQYGDROOZENN-CQSZACIVSA-N 2 0 295.431 -0.159 20 0 CBADRP [NH3+]CCCC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000574275591 335005952 /nfs/dbraw/zinc/00/59/52/335005952.db2.gz KGIITEQHLDLJTM-LBPRGKRZSA-N 2 0 282.388 -0.604 20 0 CBADRP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC[N@H+](C)C1 ZINC000413891932 284113962 /nfs/dbraw/zinc/11/39/62/284113962.db2.gz HOIWEYHDBVUOGL-JHJVBQTASA-N 2 0 297.399 -0.253 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000574324613 335010619 /nfs/dbraw/zinc/01/06/19/335010619.db2.gz VTMJZQBADGXRQC-KOLCDFICSA-N 2 0 258.366 -0.942 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364558108 296137138 /nfs/dbraw/zinc/13/71/38/296137138.db2.gz IRJLSZIUAIFLOJ-GFCCVEGCSA-N 2 0 267.373 -0.033 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000364213350 296138224 /nfs/dbraw/zinc/13/82/24/296138224.db2.gz IDQQCUMGICUNAB-RFQIPJPRSA-N 2 0 279.384 -0.083 20 0 CBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365329947 296147749 /nfs/dbraw/zinc/14/77/49/296147749.db2.gz JUKACSPMMWDUIQ-QNSTZXKLSA-N 2 0 279.384 -0.348 20 0 CBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000037824272 296147771 /nfs/dbraw/zinc/14/77/71/296147771.db2.gz IEOVCMRUMLQUTG-FRRDWIJNSA-N 2 0 267.373 -0.204 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000331970147 204346647 /nfs/dbraw/zinc/34/66/47/204346647.db2.gz LICYAWLXRDOTAJ-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP C[NH+](C)C1(CNC(=O)N2CCO[C@H](C[NH3+])C2)CCC1 ZINC000332506599 204764386 /nfs/dbraw/zinc/76/43/86/204764386.db2.gz XZRFXZZXYXEXHJ-LLVKDONJSA-N 2 0 270.377 -0.160 20 0 CBADRP CC[C@@]1(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CCC[NH2+]1 ZINC000122159887 372791434 /nfs/dbraw/zinc/79/14/34/372791434.db2.gz FUUSCTCJMWCLAO-OCCSQVGLSA-N 2 0 268.405 -0.119 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000068807582 372766650 /nfs/dbraw/zinc/76/66/50/372766650.db2.gz OSDRIHLIJDDXQM-GXTWGEPZSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000333167388 205085849 /nfs/dbraw/zinc/08/58/49/205085849.db2.gz HOOVBYUBHLVNOO-WXHSDQCUSA-N 2 0 282.388 -0.243 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000333167385 205086771 /nfs/dbraw/zinc/08/67/71/205086771.db2.gz HOOVBYUBHLVNOO-RTXFEEFZSA-N 2 0 282.388 -0.243 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)O1 ZINC000094570982 372776140 /nfs/dbraw/zinc/77/61/40/372776140.db2.gz FGSSYTLYDMBKHK-WCQGTBRESA-N 2 0 253.346 -0.154 20 0 CBADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000353443037 220086169 /nfs/dbraw/zinc/08/61/69/220086169.db2.gz BXDNTHXWUOUPBI-MCIONIFRSA-N 2 0 282.432 -0.018 20 0 CBADRP [NH3+]C[C@H](NC(=O)N1CCOC2(C[NH2+]C2)C1)C1CCCC1 ZINC000333192171 205106250 /nfs/dbraw/zinc/10/62/50/205106250.db2.gz ACNRTCPDUVKEQC-LBPRGKRZSA-N 2 0 282.388 -0.112 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[NH+](C)C ZINC000162473287 372821575 /nfs/dbraw/zinc/82/15/75/372821575.db2.gz YQRBOTOESGIXFT-AWEZNQCLSA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000167214040 372825757 /nfs/dbraw/zinc/82/57/57/372825757.db2.gz YDUYJYODIFSLOO-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000353438607 220083461 /nfs/dbraw/zinc/08/34/61/220083461.db2.gz ZODIPPCAHIZGKH-QWHCGFSZSA-N 2 0 268.405 -0.262 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)CN3CC[NH2+]CC3)CC[C@@H]21 ZINC000166612261 372826475 /nfs/dbraw/zinc/82/64/75/372826475.db2.gz DTYIEBBCLNODOJ-KGLIPLIRSA-N 2 0 280.416 -0.166 20 0 CBADRP C[C@H](C(=O)N(C)C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000178648017 372841478 /nfs/dbraw/zinc/84/14/78/372841478.db2.gz SBEHYUKOSAJRTE-GFCCVEGCSA-N 2 0 298.431 -0.147 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000353455518 220093807 /nfs/dbraw/zinc/09/38/07/220093807.db2.gz XVUOWAAONWDLEV-GFCCVEGCSA-N 2 0 287.404 -0.034 20 0 CBADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000188763958 372851312 /nfs/dbraw/zinc/85/13/12/372851312.db2.gz JXLWRTBSTHCFGE-JTQLQIEISA-N 2 0 275.356 -0.024 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](C[NH3+])OC ZINC000353463451 220097482 /nfs/dbraw/zinc/09/74/82/220097482.db2.gz VMKZGSCCTQVZBF-QWRGUYRKSA-N 2 0 261.366 -0.567 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252862423 372897927 /nfs/dbraw/zinc/89/79/27/372897927.db2.gz OAWKNFXXHJIQST-XWLWVQCSSA-N 2 0 268.361 -0.110 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261569171 372907287 /nfs/dbraw/zinc/90/72/87/372907287.db2.gz JOHUCBXYROMLHR-CABZTGNLSA-N 2 0 254.334 -0.484 20 0 CBADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000263077866 372913020 /nfs/dbraw/zinc/91/30/20/372913020.db2.gz XEVDVASKHNFMRZ-GXTWGEPZSA-N 2 0 268.405 -0.085 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000344684622 217274215 /nfs/dbraw/zinc/27/42/15/217274215.db2.gz WBNZSXHEPNUPCQ-AAEUAGOBSA-N 2 0 289.445 -0.148 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[NH2+]CCO2)C[N@@H+]1C1CC1 ZINC000333367108 205259151 /nfs/dbraw/zinc/25/91/51/205259151.db2.gz LXVWWDMXXANOPV-MDZLAQPJSA-N 2 0 282.388 -0.101 20 0 CBADRP C[NH+](C)CCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000285972032 372950666 /nfs/dbraw/zinc/95/06/66/372950666.db2.gz HIADZHGVDNUEFB-SECBINFHSA-N 2 0 251.334 -0.222 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000333399265 205287962 /nfs/dbraw/zinc/28/79/62/205287962.db2.gz PSXLHODEYUNWFB-NEPJUHHUSA-N 2 0 270.377 -0.242 20 0 CBADRP CC(C)[N@H+](C)C[C@@H](O)Cn1cc(CN(C)CCC[NH3+])nn1 ZINC000328184067 372972635 /nfs/dbraw/zinc/97/26/35/372972635.db2.gz ODFMTDGOMOXVPC-CQSZACIVSA-N 2 0 298.435 -0.240 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[NH+](C)C ZINC000344665811 373059734 /nfs/dbraw/zinc/05/97/34/373059734.db2.gz MMDFSURWQWSXBA-NWDGAFQWSA-N 2 0 284.404 -0.537 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000353538627 220143582 /nfs/dbraw/zinc/14/35/82/220143582.db2.gz XTSHZHQMVJFYTA-RWMBFGLXSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000346648990 373067135 /nfs/dbraw/zinc/06/71/35/373067135.db2.gz GIBSPJTZIBINHW-NXEZZACHSA-N 2 0 266.345 -0.747 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000353535360 220145415 /nfs/dbraw/zinc/14/54/15/220145415.db2.gz VVQSLMDPVRLGBT-GRYCIOLGSA-N 2 0 273.377 -0.424 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC000342375000 373046887 /nfs/dbraw/zinc/04/68/87/373046887.db2.gz OFICRJFOHLLHPJ-RYUDHWBXSA-N 2 0 257.378 -0.122 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)C[NH3+] ZINC000347661682 373073702 /nfs/dbraw/zinc/07/37/02/373073702.db2.gz JVHIPRNEJYFFQS-MNOVXSKESA-N 2 0 268.361 -0.854 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000353553273 220154150 /nfs/dbraw/zinc/15/41/50/220154150.db2.gz QURMMSWGPDIBEB-RYUDHWBXSA-N 2 0 272.393 -0.044 20 0 CBADRP CCCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000351519313 373097421 /nfs/dbraw/zinc/09/74/21/373097421.db2.gz DZNCQYULULBMNY-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000351863415 373099766 /nfs/dbraw/zinc/09/97/66/373099766.db2.gz TWTCJNDRCDMQLR-SRVKXCTJSA-N 2 0 296.415 -0.219 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000353462840 373113624 /nfs/dbraw/zinc/11/36/24/373113624.db2.gz UAVLIZMTMIBKND-VXGBXAGGSA-N 2 0 273.377 -0.567 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CNC(N)=O ZINC000344848072 217331771 /nfs/dbraw/zinc/33/17/71/217331771.db2.gz UJJDDWUMXRYHEU-UHFFFAOYSA-N 2 0 287.408 -0.613 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@H]1COC[C@@H]1O ZINC000361329380 373276578 /nfs/dbraw/zinc/27/65/78/373276578.db2.gz ZXGYYUXFXMRSSW-STQMWFEESA-N 2 0 257.378 -0.685 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C2([NH3+])CC2)C1 ZINC000353596358 220182169 /nfs/dbraw/zinc/18/21/69/220182169.db2.gz IRXLJVVIPOQSPW-SNVBAGLBSA-N 2 0 268.361 -0.819 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000353599584 220183508 /nfs/dbraw/zinc/18/35/08/220183508.db2.gz TZEMAHHVMPEYAQ-NWDGAFQWSA-N 2 0 284.404 -0.327 20 0 CBADRP NS(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000050248769 220194283 /nfs/dbraw/zinc/19/42/83/220194283.db2.gz AXLZZJLGWSNXKD-NSHDSACASA-N 2 0 299.396 -0.007 20 0 CBADRP COC(=O)[C@@H]1CN(C(=O)/C=C\C[NH+](C)C)CC[N@H+](C)C1 ZINC000493236639 284397984 /nfs/dbraw/zinc/39/79/84/284397984.db2.gz HKLWVVKPVOCIFY-FJOGCWAESA-N 2 0 283.372 -0.333 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417442905 373628010 /nfs/dbraw/zinc/62/80/10/373628010.db2.gz WONWVULAMULHEQ-CHWSQXEVSA-N 2 0 284.404 -0.185 20 0 CBADRP CC[N@H+](CCNC(=O)NC[C@@H]1C[NH2+]CCN1C)C1CC1 ZINC000417432866 373629314 /nfs/dbraw/zinc/62/93/14/373629314.db2.gz UIWSFRJDBNRHGR-ZDUSSCGKSA-N 2 0 283.420 -0.327 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000417095903 373629516 /nfs/dbraw/zinc/62/95/16/373629516.db2.gz UYLUQMRRBMWKID-LLVKDONJSA-N 2 0 258.366 -0.384 20 0 CBADRP CC(C)([NH3+])CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000418428749 373631303 /nfs/dbraw/zinc/63/13/03/373631303.db2.gz MSURCXHGRDGTQY-UHFFFAOYSA-N 2 0 272.393 -0.178 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H](C)C[NH3+])[C@H](C)C1 ZINC000418477219 373632020 /nfs/dbraw/zinc/63/20/20/373632020.db2.gz UTCTZIKPGKHJBN-TUAOUCFPSA-N 2 0 272.393 -0.322 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCC[NH3+] ZINC000419029679 373635554 /nfs/dbraw/zinc/63/55/54/373635554.db2.gz RTXLPUFYMNGGJM-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCC[N@@H+]1C ZINC000419556952 373640335 /nfs/dbraw/zinc/64/03/35/373640335.db2.gz LMMUGOPPUVRJKR-NDBYEHHHSA-N 2 0 294.399 -0.594 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC[NH2+]1 ZINC000419691141 373640760 /nfs/dbraw/zinc/64/07/60/373640760.db2.gz DKJRHQVOUYPRQF-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)C(C)C ZINC000419837425 373640969 /nfs/dbraw/zinc/64/09/69/373640969.db2.gz CUROXTMHNDWDTL-GFCCVEGCSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000419996913 373646444 /nfs/dbraw/zinc/64/64/44/373646444.db2.gz OCWSSXUDIQXAKR-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000420026134 373646692 /nfs/dbraw/zinc/64/66/92/373646692.db2.gz ZRHLFWRHPJIBNN-TUAOUCFPSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@H]1CCN(C(=O)C(=O)N(C)CC[NH+](C)C)C[C@@H]1C[NH3+] ZINC000423057750 373655270 /nfs/dbraw/zinc/65/52/70/373655270.db2.gz ANWFUYUEEXILHD-RYUDHWBXSA-N 2 0 284.404 -0.550 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000423198958 373656884 /nfs/dbraw/zinc/65/68/84/373656884.db2.gz IUTJXWLBPXWZJS-STQMWFEESA-N 2 0 294.399 -0.367 20 0 CBADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000423779451 373663083 /nfs/dbraw/zinc/66/30/83/373663083.db2.gz UZPVDVJJEBHLFV-VXGBXAGGSA-N 2 0 255.362 -0.227 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CC[NH2+]CC1 ZINC000424283134 373664528 /nfs/dbraw/zinc/66/45/28/373664528.db2.gz AUNCTWBCXPVJTD-VXGBXAGGSA-N 3 0 254.378 -0.332 20 0 CBADRP CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000424141126 373664553 /nfs/dbraw/zinc/66/45/53/373664553.db2.gz GVHAJDFXMWUEGJ-YFKTTZPYSA-N 2 0 255.362 -0.363 20 0 CBADRP [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000424187179 373664843 /nfs/dbraw/zinc/66/48/43/373664843.db2.gz AIXPHYLMMCKWCK-MJBXVCDLSA-N 2 0 297.399 -0.280 20 0 CBADRP [NH3+][C@@H]1Cc2ccccc2N(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000424073773 373665424 /nfs/dbraw/zinc/66/54/24/373665424.db2.gz IKWUUBXGFKXSCN-DGCLKSJQSA-N 2 0 261.325 -0.109 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000424184178 373665776 /nfs/dbraw/zinc/66/57/76/373665776.db2.gz XFCGFDWDLYHNRE-GRYCIOLGSA-N 2 0 255.362 -0.227 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)C3C[NH2+]C3)CC2)C1 ZINC000424274946 373666363 /nfs/dbraw/zinc/66/63/63/373666363.db2.gz ARDLFHSNLOVENP-CHWSQXEVSA-N 2 0 267.373 -0.049 20 0 CBADRP CC(C)[C@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[C@@H](C)[NH3+] ZINC000514937117 373771048 /nfs/dbraw/zinc/77/10/48/373771048.db2.gz GEMLPUSILXVMEA-AGIUHOORSA-N 2 0 298.431 -0.081 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000514933932 373771077 /nfs/dbraw/zinc/77/10/77/373771077.db2.gz AIUIEOUJOPZCPJ-YNEHKIRRSA-N 2 0 296.415 -0.170 20 0 CBADRP CN(CCNC(=O)/C=C/C[NH+](C)C)C(=O)/C=C\C[NH+](C)C ZINC000493781343 373728516 /nfs/dbraw/zinc/72/85/16/373728516.db2.gz FGYMPHDIMQWMPU-FFELTBSMSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000514663410 373759354 /nfs/dbraw/zinc/75/93/54/373759354.db2.gz QKSRCDUMKHLDLN-GFCCVEGCSA-N 2 0 297.403 -0.846 20 0 CBADRP CCN(CC)C(=O)C[C@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000514667114 373760214 /nfs/dbraw/zinc/76/02/14/373760214.db2.gz WCNHZWAPFNVQPT-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000514724598 373761648 /nfs/dbraw/zinc/76/16/48/373761648.db2.gz FLAVDGXATPRKSD-SNVBAGLBSA-N 2 0 268.365 -0.303 20 0 CBADRP COC[C@@]1(C(=O)NCC2([NH+](C)C)CCOCC2)CC[NH2+]C1 ZINC000516567480 373815866 /nfs/dbraw/zinc/81/58/66/373815866.db2.gz ICTQCHHZOHHYSZ-CQSZACIVSA-N 2 0 299.415 -0.161 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000518753893 373821527 /nfs/dbraw/zinc/82/15/27/373821527.db2.gz UAUPDAUCLBJVSG-OLZOCXBDSA-N 2 0 294.399 -0.367 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2CCCO[C@H](C[NH3+])C2)CC1 ZINC000520819471 373834438 /nfs/dbraw/zinc/83/44/38/373834438.db2.gz BGABBVBXGDVPGO-CQSZACIVSA-N 2 0 298.431 -0.364 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)C1(n2cccn2)CC[NH2+]CC1 ZINC000520813053 373835557 /nfs/dbraw/zinc/83/55/57/373835557.db2.gz PALFCARAVASKLP-LBPRGKRZSA-N 2 0 277.372 -0.170 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000515302453 373782316 /nfs/dbraw/zinc/78/23/16/373782316.db2.gz UXBBQYFJWQVWBS-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)Cn1ccnc1 ZINC000515403144 373787492 /nfs/dbraw/zinc/78/74/92/373787492.db2.gz LDFGBKJCQSQPIR-UHFFFAOYSA-N 2 0 254.334 -0.032 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000515619018 373792002 /nfs/dbraw/zinc/79/20/02/373792002.db2.gz FHORZGOSUVJNMO-MCIONIFRSA-N 2 0 295.431 -0.184 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCNC[C@](C)(F)C1 ZINC000515842754 373798649 /nfs/dbraw/zinc/79/86/49/373798649.db2.gz BUWHGXFNVJBQIN-KWQFWETISA-N 2 0 261.297 -0.963 20 0 CBADRP C[C@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+]1CC(C)C1 ZINC000521456873 373843437 /nfs/dbraw/zinc/84/34/37/373843437.db2.gz IKQQZTYUEQWSTR-OLZOCXBDSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@H]1C[N@H+](C)CCN1C[C@H](O)C[NH+](C)CCOC ZINC000521642447 373849450 /nfs/dbraw/zinc/84/94/50/373849450.db2.gz ZIDUCFAZMMSIBL-UONOGXRCSA-N 2 0 273.421 -0.049 20 0 CBADRP CN1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000521986467 373853502 /nfs/dbraw/zinc/85/35/02/373853502.db2.gz HFWGIHKHBYPKQO-GXTWGEPZSA-N 2 0 283.420 -0.340 20 0 CBADRP [NH3+]C[C@@H](C(=O)NC[C@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC000522000161 373856313 /nfs/dbraw/zinc/85/63/13/373856313.db2.gz KORRPINCVVFNMW-CHWSQXEVSA-N 2 0 281.331 -0.027 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000522138411 373861758 /nfs/dbraw/zinc/86/17/58/373861758.db2.gz FNCGCBVNXHTEDG-NWDGAFQWSA-N 2 0 254.378 -0.700 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000522138410 373862988 /nfs/dbraw/zinc/86/29/88/373862988.db2.gz FNCGCBVNXHTEDG-NEPJUHHUSA-N 2 0 254.378 -0.700 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N1CC[NH+](C)CC1 ZINC000522265190 373867077 /nfs/dbraw/zinc/86/70/77/373867077.db2.gz LHEKIAZQPLVZJH-CHWSQXEVSA-N 2 0 268.405 -0.310 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N1CC[NH+](C)CC1 ZINC000522265192 373868096 /nfs/dbraw/zinc/86/80/96/373868096.db2.gz LHEKIAZQPLVZJH-QWHCGFSZSA-N 2 0 268.405 -0.310 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529297379 374000093 /nfs/dbraw/zinc/00/00/93/374000093.db2.gz DPHAKALIWXRIJC-QWRGUYRKSA-N 2 0 256.350 -0.632 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000529337918 374006840 /nfs/dbraw/zinc/00/68/40/374006840.db2.gz JHVIPLIUSAGEOZ-FRRDWIJNSA-N 2 0 282.388 -0.338 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529339136 374006878 /nfs/dbraw/zinc/00/68/78/374006878.db2.gz NKVOKPQBOFEQLY-OUAUKWLOSA-N 2 0 256.350 -0.728 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1C[NH2+]CCC1(F)F ZINC000529339573 374007298 /nfs/dbraw/zinc/00/72/98/374007298.db2.gz LOHCTVYIFIABFG-BDAKNGLRSA-N 2 0 278.303 -0.729 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529339126 374007400 /nfs/dbraw/zinc/00/74/00/374007400.db2.gz NKVOKPQBOFEQLY-MXWKQRLJSA-N 2 0 256.350 -0.728 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)[C@@H](C[NH3+])C1 ZINC000529347341 374008491 /nfs/dbraw/zinc/00/84/91/374008491.db2.gz CKYROCGWOICMMI-NWDGAFQWSA-N 2 0 281.404 -0.445 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529343579 374008674 /nfs/dbraw/zinc/00/86/74/374008674.db2.gz QFFWQPHQOXIBAJ-MNOVXSKESA-N 2 0 268.361 -0.441 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000529386341 374024384 /nfs/dbraw/zinc/02/43/84/374024384.db2.gz IHFQKSUTCNATDW-QJPTWQEYSA-N 2 0 268.361 -0.774 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000529375813 374015802 /nfs/dbraw/zinc/01/58/02/374015802.db2.gz ACNHVWLAHAWCEF-GRYCIOLGSA-N 2 0 268.361 -0.774 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529376812 374017058 /nfs/dbraw/zinc/01/70/58/374017058.db2.gz OOBQUIJTEBZNFG-GFCCVEGCSA-N 2 0 270.377 -0.288 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)C[C@@H]1[NH+](C)C ZINC000529376422 374017927 /nfs/dbraw/zinc/01/79/27/374017927.db2.gz QTAUJGAEFTUEPX-UTUOFQBUSA-N 2 0 270.377 -0.434 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529378562 374019317 /nfs/dbraw/zinc/01/93/17/374019317.db2.gz IYQPSEMANKPNEA-QWHCGFSZSA-N 2 0 284.404 -0.042 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529378665 374019386 /nfs/dbraw/zinc/01/93/86/374019386.db2.gz XTOFVPOBJAIINS-OLZOCXBDSA-N 2 0 284.404 -0.042 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529378560 374019647 /nfs/dbraw/zinc/01/96/47/374019647.db2.gz IYQPSEMANKPNEA-CHWSQXEVSA-N 2 0 284.404 -0.042 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000529384622 374024297 /nfs/dbraw/zinc/02/42/97/374024297.db2.gz DEIKHSDVVXQQPF-UTUOFQBUSA-N 2 0 268.361 -0.632 20 0 CBADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000528754123 373979102 /nfs/dbraw/zinc/97/91/02/373979102.db2.gz HUXIDFZEQDIOFX-XLWJZTARSA-N 2 0 285.432 -0.004 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529388397 374025917 /nfs/dbraw/zinc/02/59/17/374025917.db2.gz NWRXWKOOWGWWSC-GMTAPVOTSA-N 2 0 256.350 -0.456 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000529387897 374026090 /nfs/dbraw/zinc/02/60/90/374026090.db2.gz MWYYFLJAKXZNEM-YPMHNXCESA-N 2 0 268.361 -0.630 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000529388386 374027034 /nfs/dbraw/zinc/02/70/34/374027034.db2.gz NVKNPYMYTNFDAW-OCCSQVGLSA-N 2 0 282.388 -0.240 20 0 CBADRP CC(C)([NH3+])CN1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530240962 374068270 /nfs/dbraw/zinc/06/82/70/374068270.db2.gz AAGOFBMYQLSFTQ-UHFFFAOYSA-N 2 0 269.393 -0.634 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1COCCO1 ZINC000531118515 374117433 /nfs/dbraw/zinc/11/74/33/374117433.db2.gz GRNCCGKKOQYGNW-GFCCVEGCSA-N 2 0 273.377 -0.646 20 0 CBADRP CC(=O)N1CC(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000530522526 374084746 /nfs/dbraw/zinc/08/47/46/374084746.db2.gz GZKZZRFXIJBFGI-UHFFFAOYSA-N 2 0 284.404 -0.584 20 0 CBADRP C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCN1CCO ZINC000548313336 374193152 /nfs/dbraw/zinc/19/31/52/374193152.db2.gz FETNUSXSIUVVIA-RYUDHWBXSA-N 2 0 255.362 -0.537 20 0 CBADRP C[C@@H]1CCNC(=O)[C@@H]1NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000554946417 374285179 /nfs/dbraw/zinc/28/51/79/374285179.db2.gz JDWJDBGZQYKUKM-YUSALJHKSA-N 2 0 255.362 -0.444 20 0 CBADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCC[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000562457007 374319404 /nfs/dbraw/zinc/31/94/04/374319404.db2.gz GMPMBNNQLUEQQX-LPWJVIDDSA-N 2 0 296.415 -0.395 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)C[C@H]1C ZINC000571658934 374335995 /nfs/dbraw/zinc/33/59/95/374335995.db2.gz XJWQUXCLWKGXEE-AGIUHOORSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@]2(C)CCCO2)CC1 ZINC000577859840 374342820 /nfs/dbraw/zinc/34/28/20/374342820.db2.gz JNYKQRSIYZQANK-KGLIPLIRSA-N 2 0 271.405 -0.247 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC[C@@H]21 ZINC000584470993 374374606 /nfs/dbraw/zinc/37/46/06/374374606.db2.gz SERKJCKZHUJQAI-RVMXOQNASA-N 2 0 267.373 -0.348 20 0 CBADRP COC[C@@]1(C(=O)N2CC[C@@](C)(C[NH3+])C2)CC[NH2+]C1 ZINC000583258283 374357806 /nfs/dbraw/zinc/35/78/06/374357806.db2.gz RHMBUAZNOVEMSP-QWHCGFSZSA-N 2 0 255.362 -0.190 20 0 CBADRP [NH3+]CCC1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000583760319 374365707 /nfs/dbraw/zinc/36/57/07/374365707.db2.gz NNINZWDRRVZEOW-LBPRGKRZSA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1O ZINC000583762167 374366698 /nfs/dbraw/zinc/36/66/98/374366698.db2.gz MFMBVXZLMMGTNQ-RYUDHWBXSA-N 2 0 269.389 -0.148 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000583811185 374368333 /nfs/dbraw/zinc/36/83/33/374368333.db2.gz JPZZWWUXNBMDMX-AEJSXWLSSA-N 2 0 257.334 -0.537 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@H]3C[NH3+])C[C@@H]21 ZINC000577947009 374346616 /nfs/dbraw/zinc/34/66/16/374346616.db2.gz XURWOKMRMPBMKI-AGIUHOORSA-N 2 0 294.399 -0.511 20 0 CBADRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)N(C)CC(=O)OC)C1 ZINC000577953374 374346974 /nfs/dbraw/zinc/34/69/74/374346974.db2.gz LEMCQAATLKBRPU-LBPRGKRZSA-N 2 0 285.388 -0.061 20 0 CBADRP C[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)[N@H+](C)C1CC1 ZINC000578051314 374350619 /nfs/dbraw/zinc/35/06/19/374350619.db2.gz MDHAVEFYLSMQSO-JQWIXIFHSA-N 2 0 270.377 -0.243 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH2+]CCOC3)[C@@H]2C1 ZINC000643794222 374422306 /nfs/dbraw/zinc/42/23/06/374422306.db2.gz LXTKIYZONQWVEL-FRRDWIJNSA-N 2 0 267.373 -0.225 20 0 CBADRP C[C@H]1CCCN(C(=O)c2cn(CCC[NH3+])nn2)[C@@H]1C[NH3+] ZINC000644063352 374482789 /nfs/dbraw/zinc/48/27/89/374482789.db2.gz RJLAQERXZHOLCK-CMPLNLGQSA-N 2 0 280.376 -0.174 20 0 CBADRP COC[C@]1(CNC(=O)[C@@H]2[NH2+]CC2(C)C)CCC[NH2+]1 ZINC000644125918 374490427 /nfs/dbraw/zinc/49/04/27/374490427.db2.gz BHGUOCYNVZLBRE-GXFFZTMASA-N 2 0 255.362 -0.131 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000644141988 374492440 /nfs/dbraw/zinc/49/24/40/374492440.db2.gz XOAHICJHJBZYCX-DCAQKATOSA-N 2 0 296.350 -0.368 20 0 CBADRP COCC(C)(C)[NH+]1CCN(C(=O)NCC2C[NH2+]C2)CC1 ZINC000644198767 374501653 /nfs/dbraw/zinc/50/16/53/374501653.db2.gz JEYJXRZBYHNZCN-UHFFFAOYSA-N 2 0 284.404 -0.042 20 0 CBADRP CC[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000644539498 374590765 /nfs/dbraw/zinc/59/07/65/374590765.db2.gz TTWXZYSGTGNPRR-NWDGAFQWSA-N 2 0 257.378 -0.066 20 0 CBADRP CC(C)N1C[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1=O ZINC000644536097 374590849 /nfs/dbraw/zinc/59/08/49/374590849.db2.gz XIQBSXZTAMATSR-KBPBESRZSA-N 2 0 298.431 -0.806 20 0 CBADRP C[C@H]1C[NH+](CCCNC(=O)COCC[NH3+])C[C@H](C)O1 ZINC000645299445 374658753 /nfs/dbraw/zinc/65/87/53/374658753.db2.gz NXFHHUQUKMDJAN-RYUDHWBXSA-N 2 0 273.377 -0.423 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)[C@H]2C[NH2+]CCO2)cn1 ZINC000645803289 374700432 /nfs/dbraw/zinc/70/04/32/374700432.db2.gz NJJJSSLKSOBGDR-LLVKDONJSA-N 2 0 267.333 -0.628 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000645685042 374692516 /nfs/dbraw/zinc/69/25/16/374692516.db2.gz RJOPFPOOMSQYQN-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP C[NH+](C)[C@@]1(CNC(=O)COCC[NH3+])CCSC1 ZINC000646151515 374747038 /nfs/dbraw/zinc/74/70/38/374747038.db2.gz XNXIZOADHIDVDP-LLVKDONJSA-N 2 0 261.391 -0.485 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)COCC[NH3+])CCSC1 ZINC000646151516 374747894 /nfs/dbraw/zinc/74/78/94/374747894.db2.gz XNXIZOADHIDVDP-NSHDSACASA-N 2 0 261.391 -0.485 20 0 CBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)COCC[NH3+])CC1 ZINC000646190300 374752917 /nfs/dbraw/zinc/75/29/17/374752917.db2.gz LCVGSXSNOBMWTC-ZDUSSCGKSA-N 2 0 286.420 -0.649 20 0 CBADRP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000646208008 374755400 /nfs/dbraw/zinc/75/54/00/374755400.db2.gz PHUDZXJBDZYGDD-PWSUYJOCSA-N 2 0 255.362 -0.348 20 0 CBADRP COC1CC[NH+](C(C)(C)CNC(=O)COCC[NH3+])CC1 ZINC000645951664 374716840 /nfs/dbraw/zinc/71/68/40/374716840.db2.gz YOJFTWKUWJQOGR-UHFFFAOYSA-N 2 0 287.404 -0.033 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000645947223 374717029 /nfs/dbraw/zinc/71/70/29/374717029.db2.gz FAPZTPBCABNLAV-JHJVBQTASA-N 2 0 268.405 -0.264 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645947315 374717303 /nfs/dbraw/zinc/71/73/03/374717303.db2.gz XWGDYOJCUCFBKY-VXGBXAGGSA-N 2 0 268.405 -0.264 20 0 CBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)COCC[NH3+])CC1 ZINC000645950418 374717974 /nfs/dbraw/zinc/71/79/74/374717974.db2.gz PGHZDJBMUBKLIP-AWEZNQCLSA-N 2 0 298.431 -0.410 20 0 CBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[NH2+]C2CC2)CC1 ZINC000645958638 374719115 /nfs/dbraw/zinc/71/91/15/374719115.db2.gz XJIMRQPEEHCHPN-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)CC[NH3+])C2)CC1 ZINC000645978016 374721481 /nfs/dbraw/zinc/72/14/81/374721481.db2.gz QTBWPHKZIQLKKB-NSHDSACASA-N 3 0 254.378 -0.380 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000646003212 374724476 /nfs/dbraw/zinc/72/44/76/374724476.db2.gz WMWYLRVVLIOESH-KGLIPLIRSA-N 2 0 298.431 -0.411 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C3(C)C[NH2+]C3)CC2)C1 ZINC000646003172 374725500 /nfs/dbraw/zinc/72/55/00/374725500.db2.gz VJBCJPLTQABADF-CYBMUJFWSA-N 2 0 280.416 -0.166 20 0 CBADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H](C)[NH3+] ZINC000646009358 374727135 /nfs/dbraw/zinc/72/71/35/374727135.db2.gz DXNQQVNRCCRSIR-RDBSUJKOSA-N 2 0 298.431 -0.508 20 0 CBADRP CC(C)([NH3+])CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009328 374727549 /nfs/dbraw/zinc/72/75/49/374727549.db2.gz BAKOZKTURDWBPX-ZDUSSCGKSA-N 2 0 298.431 -0.364 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000646077551 374739348 /nfs/dbraw/zinc/73/93/48/374739348.db2.gz WTKZZIXMQNCYNR-NOOOWODRSA-N 2 0 255.362 -0.038 20 0 CBADRP C[NH+](C)C[C@H]1CCCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000646116446 374742203 /nfs/dbraw/zinc/74/22/03/374742203.db2.gz WYQWDOYSNZOQTN-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP O=C(CC[C@@H]1CCC[NH2+]1)NCCN1CC[NH2+]CC1 ZINC000646631865 374796869 /nfs/dbraw/zinc/79/68/69/374796869.db2.gz JQMOTFHGAYQDDO-LBPRGKRZSA-N 2 0 254.378 -0.460 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000646637942 374798514 /nfs/dbraw/zinc/79/85/14/374798514.db2.gz GJDZHEKFFIXTTM-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@H](C)[NH3+] ZINC000646803745 374817504 /nfs/dbraw/zinc/81/75/04/374817504.db2.gz LTFXKBSLCVLUNH-SFYZADRCSA-N 2 0 267.337 -0.864 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)CCO1 ZINC000646843025 374825631 /nfs/dbraw/zinc/82/56/31/374825631.db2.gz GPOZNNVYPWZADM-AXFHLTTASA-N 2 0 273.402 -0.344 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)[C@H](C)C[NH2+]1 ZINC000646298134 374767514 /nfs/dbraw/zinc/76/75/14/374767514.db2.gz DNOQROANWUTBMR-UTUOFQBUSA-N 2 0 292.387 -0.148 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CCO3)[C@H]2C1 ZINC000646297699 374768596 /nfs/dbraw/zinc/76/85/96/374768596.db2.gz ZLDXBPAYSJFYPM-WOPDTQHZSA-N 2 0 253.346 -0.473 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646338161 374771189 /nfs/dbraw/zinc/77/11/89/374771189.db2.gz CNBPPPWWACYWCZ-IJLUTSLNSA-N 2 0 253.346 -0.425 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646338164 374771358 /nfs/dbraw/zinc/77/13/58/374771358.db2.gz CNBPPPWWACYWCZ-UTUOFQBUSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)C1CCOCC1 ZINC000646336595 374771380 /nfs/dbraw/zinc/77/13/80/374771380.db2.gz YUIYPCORONRVJC-RTXFEEFZSA-N 2 0 267.373 -0.049 20 0 CBADRP [NH3+][C@@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)C1CCC1 ZINC000646350127 374771959 /nfs/dbraw/zinc/77/19/59/374771959.db2.gz BSBBTACPADXCCZ-CHWSQXEVSA-N 2 0 266.389 -0.380 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000646351303 374772304 /nfs/dbraw/zinc/77/23/04/374772304.db2.gz JJQMTWXOEMLMIZ-NWDGAFQWSA-N 2 0 266.389 -0.510 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000646351080 374772604 /nfs/dbraw/zinc/77/26/04/374772604.db2.gz CNJXHUHSQWXISZ-CHWSQXEVSA-N 2 0 268.405 -0.119 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)C1CCC1 ZINC000646350132 374772777 /nfs/dbraw/zinc/77/27/77/374772777.db2.gz BSBBTACPADXCCZ-STQMWFEESA-N 2 0 266.389 -0.380 20 0 CBADRP CCC[NH2+][C@@H](C)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000646363761 374774252 /nfs/dbraw/zinc/77/42/52/374774252.db2.gz LXMOFCDUIKRWCX-QWHCGFSZSA-N 2 0 268.405 -0.119 20 0 CBADRP [NH3+]CCOCC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000646385532 374776532 /nfs/dbraw/zinc/77/65/32/374776532.db2.gz WAZROMQWVZKAOU-NWDGAFQWSA-N 2 0 255.362 -0.190 20 0 CBADRP C[C@@H](CNC(=O)c1cn(CCCC[NH3+])nn1)[NH+](C)C ZINC000646427138 374777254 /nfs/dbraw/zinc/77/72/54/374777254.db2.gz NZZDLMRDOXZWHI-JTQLQIEISA-N 2 0 268.365 -0.303 20 0 CBADRP C[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)[NH+](C)C ZINC000646427203 374777380 /nfs/dbraw/zinc/77/73/80/374777380.db2.gz SMUDNMAOJCLGHR-VIFPVBQESA-N 2 0 254.338 -0.693 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)CCO1 ZINC000646856514 374830513 /nfs/dbraw/zinc/83/05/13/374830513.db2.gz ISMYHTVUHQIZLS-TUAOUCFPSA-N 2 0 271.361 -0.670 20 0 CBADRP C[C@]1(C(=O)NCC[N@@H+]2CCCOCC2)CC[NH2+]C1 ZINC000646503561 374782888 /nfs/dbraw/zinc/78/28/88/374782888.db2.gz KUFXEMFQUHNMFD-ZDUSSCGKSA-N 2 0 255.362 -0.176 20 0 CBADRP O=C(CC1CC[NH2+]CC1)NCCCN1CC[NH2+]CC1 ZINC000646575589 374790401 /nfs/dbraw/zinc/79/04/01/374790401.db2.gz LFJZBEBHDXUJPS-UHFFFAOYSA-N 2 0 268.405 -0.212 20 0 CBADRP O=C(CC[C@@H]1CCC[NH2+]1)NCCCN1CC[NH2+]CC1 ZINC000646575811 374790740 /nfs/dbraw/zinc/79/07/40/374790740.db2.gz MPJRTJVJSYBJIQ-ZDUSSCGKSA-N 2 0 268.405 -0.070 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000647026713 374864469 /nfs/dbraw/zinc/86/44/69/374864469.db2.gz IGDCBCGDECDXFD-RYUDHWBXSA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000647033521 374866249 /nfs/dbraw/zinc/86/62/49/374866249.db2.gz HEGBVHKORBNPFW-SDDRHHMPSA-N 2 0 273.352 -0.087 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647051071 374874998 /nfs/dbraw/zinc/87/49/98/374874998.db2.gz RDNNHPVFOSUVFW-RWMBFGLXSA-N 2 0 267.373 -0.131 20 0 CBADRP C[C@@H](CCCC[NH3+])NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000647051268 374875472 /nfs/dbraw/zinc/87/54/72/374875472.db2.gz HDIQFQRWNVRXLM-QWRGUYRKSA-N 2 0 270.377 -0.512 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000647075802 374880761 /nfs/dbraw/zinc/88/07/61/374880761.db2.gz XRATXYOJXAJLOO-SNVBAGLBSA-N 2 0 277.315 -0.132 20 0 CBADRP CC(C)(C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)N1CC[NH2+]CC1 ZINC000647082843 374882745 /nfs/dbraw/zinc/88/27/45/374882745.db2.gz NUYKDXRTVHQLLU-VXGBXAGGSA-N 2 0 268.405 -0.086 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000647082675 374883053 /nfs/dbraw/zinc/88/30/53/374883053.db2.gz VVIFLDQCONPSRT-UTUOFQBUSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000647087733 374884634 /nfs/dbraw/zinc/88/46/34/374884634.db2.gz AIXPHYLMMCKWCK-RDBSUJKOSA-N 2 0 297.399 -0.280 20 0 CBADRP COC[C@]1(C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000647088949 374885531 /nfs/dbraw/zinc/88/55/31/374885531.db2.gz BSDCDNKZMSOZEL-AAEUAGOBSA-N 2 0 271.361 -0.811 20 0 CBADRP [NH3+][C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000646905188 374837271 /nfs/dbraw/zinc/83/72/71/374837271.db2.gz PDQJBSAVOINNIJ-QWRGUYRKSA-N 2 0 268.361 -0.902 20 0 CBADRP [NH3+][C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000646905187 374837487 /nfs/dbraw/zinc/83/74/87/374837487.db2.gz PDQJBSAVOINNIJ-MNOVXSKESA-N 2 0 268.361 -0.902 20 0 CBADRP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCN3CCC4)[C@@H]2C1 ZINC000646918526 374841768 /nfs/dbraw/zinc/84/17/68/374841768.db2.gz YIOFQLCOINWEDO-BFHYXJOUSA-N 2 0 278.400 -0.461 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000646917852 374842027 /nfs/dbraw/zinc/84/20/27/374842027.db2.gz ITTREFAHDGBQML-ZIAGYGMSSA-N 2 0 280.416 -0.214 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CCO1 ZINC000646972168 374854571 /nfs/dbraw/zinc/85/45/71/374854571.db2.gz ODPHBBASNHXBHJ-RWMBFGLXSA-N 2 0 267.373 -0.192 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]CC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000646985099 374856087 /nfs/dbraw/zinc/85/60/87/374856087.db2.gz NBJWDWBAGPLWSA-NWDGAFQWSA-N 2 0 292.387 -0.098 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CCC[NH2+]CC1 ZINC000646988227 374857134 /nfs/dbraw/zinc/85/71/34/374857134.db2.gz JTXLHLLBIARKDR-QWRGUYRKSA-N 2 0 268.361 -0.887 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(C(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000647026712 374862669 /nfs/dbraw/zinc/86/26/69/374862669.db2.gz IGDCBCGDECDXFD-NWDGAFQWSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@H](C)C[NH2+]1 ZINC000574569210 335029994 /nfs/dbraw/zinc/02/99/94/335029994.db2.gz LFEMCNSJFHCQMS-GMTAPVOTSA-N 2 0 268.361 -0.937 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000574569736 335030377 /nfs/dbraw/zinc/03/03/77/335030377.db2.gz ZVNIFKQMBDFPKH-JBLDHEPKSA-N 2 0 258.366 -0.522 20 0 CBADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000574573103 335030790 /nfs/dbraw/zinc/03/07/90/335030790.db2.gz QJVZFZWHNJUBLS-NWDGAFQWSA-N 2 0 254.378 -0.523 20 0 CBADRP CO[C@H](CS(=O)(=O)N(CCC[NH3+])CCC[NH3+])C(C)C ZINC000647324243 374905866 /nfs/dbraw/zinc/90/58/66/374905866.db2.gz PNUVGGIEPGCKGG-GFCCVEGCSA-N 2 0 295.449 -0.013 20 0 CBADRP C[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)N(C)C1CC1 ZINC000574632498 335035178 /nfs/dbraw/zinc/03/51/78/335035178.db2.gz XGYWUQXQSVTTRT-ZFWWWQNUSA-N 2 0 284.448 -0.333 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000574634853 335035417 /nfs/dbraw/zinc/03/54/17/335035417.db2.gz GBZMXFZKRJVWIO-AXFHLTTASA-N 2 0 258.366 -0.210 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@]23C[C@H]2CC[NH2+]3)CCOCC1 ZINC000574640215 335036517 /nfs/dbraw/zinc/03/65/17/335036517.db2.gz HXXOBNPZEHHTJO-RISCZKNCSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)C[C@H]1c1ccccc1 ZINC000261699291 190042892 /nfs/dbraw/zinc/04/28/92/190042892.db2.gz JPGOLMDXCBDEOW-BFHYXJOUSA-N 2 0 275.352 -0.072 20 0 CBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)CC[NH3+])c1 ZINC000263258971 190067406 /nfs/dbraw/zinc/06/74/06/190067406.db2.gz LURWHXCAGKAFKU-UHFFFAOYSA-N 2 0 292.383 -0.057 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N(C1CC1)C1CC[NH2+]CC1 ZINC000364580533 284575168 /nfs/dbraw/zinc/57/51/68/284575168.db2.gz FJGHSTRHCHNVCO-GFCCVEGCSA-N 2 0 253.346 -0.282 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419835989 284595740 /nfs/dbraw/zinc/59/57/40/284595740.db2.gz BCPWUNQIZDNDPM-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000356383582 248241145 /nfs/dbraw/zinc/24/11/45/248241145.db2.gz BVBXREPAGPOEAT-FOGDFJRCSA-N 2 0 270.377 -0.705 20 0 CBADRP CNS(=O)(=O)CCCN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357065292 248317549 /nfs/dbraw/zinc/31/75/49/248317549.db2.gz ADNGHOWAZCOAPA-WDEREUQCSA-N 2 0 261.391 -0.533 20 0 CBADRP O=C1CNC(=O)N1CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357093416 248323165 /nfs/dbraw/zinc/32/31/65/248323165.db2.gz YHHPQBYAZXTKDC-LBPRGKRZSA-N 2 0 280.372 -0.140 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000357243078 248336975 /nfs/dbraw/zinc/33/69/75/248336975.db2.gz PYLFDCUVCVZTLT-RYUDHWBXSA-N 2 0 271.361 -0.798 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)C[C@@H]2COCC[NH2+]2)C[C@@H](C)O1 ZINC000357171359 248329256 /nfs/dbraw/zinc/32/92/56/248329256.db2.gz FOEQZWDXNRQKSC-MGPQQGTHSA-N 2 0 299.415 -0.020 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000357230764 248338681 /nfs/dbraw/zinc/33/86/81/248338681.db2.gz YMHSRVUPWJXRMB-OLZOCXBDSA-N 2 0 287.404 -0.162 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000357250294 248339065 /nfs/dbraw/zinc/33/90/65/248339065.db2.gz UAYXKZZMCMEXAW-WZRBSPASSA-N 2 0 267.373 -0.036 20 0 CBADRP C[NH2+]CCC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000357245977 248340725 /nfs/dbraw/zinc/34/07/25/248340725.db2.gz WKYOBHJAYOSQET-GFCCVEGCSA-N 2 0 255.362 -0.223 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000357250277 248340919 /nfs/dbraw/zinc/34/09/19/248340919.db2.gz UAYXKZZMCMEXAW-MDZLAQPJSA-N 2 0 267.373 -0.036 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000357297186 248347508 /nfs/dbraw/zinc/34/75/08/248347508.db2.gz APQBBABTRQAZNC-DCQANWLSSA-N 2 0 282.388 -0.643 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000357296210 248348169 /nfs/dbraw/zinc/34/81/69/248348169.db2.gz KVCIPDYBDYISFD-UZWSLXQKSA-N 2 0 255.362 -0.132 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000357312088 248350063 /nfs/dbraw/zinc/35/00/63/248350063.db2.gz VJNCFVKZKYWNJM-HNCHTBHHSA-N 2 0 255.362 -0.132 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NCCC[NH+]2CCCC2)C1 ZINC000357723723 248398330 /nfs/dbraw/zinc/39/83/30/248398330.db2.gz ATOUYMSWVYODGG-CQSZACIVSA-N 2 0 284.404 -0.162 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000375385238 248855333 /nfs/dbraw/zinc/85/53/33/248855333.db2.gz XFKCCWFKWBZXBT-GHYVTOPFSA-N 2 0 291.399 -0.020 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000514933929 248913306 /nfs/dbraw/zinc/91/33/06/248913306.db2.gz AIUIEOUJOPZCPJ-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)C1 ZINC000515841872 248920872 /nfs/dbraw/zinc/92/08/72/248920872.db2.gz FRVAVNKGIYLHGG-JMSVASOKSA-N 2 0 294.399 -0.701 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000515841874 248921052 /nfs/dbraw/zinc/92/10/52/248921052.db2.gz FRVAVNKGIYLHGG-LALPHHSUSA-N 2 0 294.399 -0.701 20 0 CBADRP C[NH+](C)C/C=C/C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000265609110 190193112 /nfs/dbraw/zinc/19/31/12/190193112.db2.gz DZGNCVWJMQFJBY-AATRIKPKSA-N 2 0 282.388 -0.663 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000357107554 295234966 /nfs/dbraw/zinc/23/49/66/295234966.db2.gz RWUFWKCXFKQDRM-ZDUSSCGKSA-N 2 0 257.378 -0.242 20 0 CBADRP COC1(C(=O)N[C@H]2CCC[C@H]2C[NH3+])CC[NH2+]CC1 ZINC000157962080 284676135 /nfs/dbraw/zinc/67/61/35/284676135.db2.gz NWXIZARESCVYTR-QWRGUYRKSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000574661209 335038202 /nfs/dbraw/zinc/03/82/02/335038202.db2.gz OZAHFCWKFSLBAL-WCQYABFASA-N 2 0 257.378 -0.243 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000574680996 335039117 /nfs/dbraw/zinc/03/91/17/335039117.db2.gz WPKQHVCGTASUHM-OLZOCXBDSA-N 2 0 283.420 -0.374 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653127640 412884945 /nfs/dbraw/zinc/88/49/45/412884945.db2.gz QLCRIMUAMGCACB-NEPJUHHUSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653131345 412884969 /nfs/dbraw/zinc/88/49/69/412884969.db2.gz GTTLDJYBYIKFEV-KQXIARHKSA-N 2 0 253.346 -0.663 20 0 CBADRP O=C(NCC1=CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653130813 412885141 /nfs/dbraw/zinc/88/51/41/412885141.db2.gz AQBXDOBXWODIBD-AAEUAGOBSA-N 2 0 251.330 -0.742 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653128613 412885277 /nfs/dbraw/zinc/88/52/77/412885277.db2.gz ORMYZWRKOJGASK-NOHGZBONSA-N 2 0 253.346 -0.582 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000653125534 412885487 /nfs/dbraw/zinc/88/54/87/412885487.db2.gz CXGXVHHKHRQYHL-NWDGAFQWSA-N 2 0 254.378 -0.382 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CC(C)(C)[NH3+])CC1 ZINC000346979701 218076938 /nfs/dbraw/zinc/07/69/38/218076938.db2.gz LQKGXTMBOCICJC-GFCCVEGCSA-N 2 0 268.405 -0.038 20 0 CBADRP C[C@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@@H]1[NH3+] ZINC000347057382 218107591 /nfs/dbraw/zinc/10/75/91/218107591.db2.gz VYUDCKMYQNKYSP-ONGXEEELSA-N 2 0 266.345 -0.747 20 0 CBADRP CC(C)[C@H](C(=O)NCCN1CC[NH+](C)CC1)[NH+](C)C ZINC000347334172 218193239 /nfs/dbraw/zinc/19/32/39/218193239.db2.gz ILLXHTVCDLIMKR-CYBMUJFWSA-N 2 0 270.421 -0.064 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000423056184 284775154 /nfs/dbraw/zinc/77/51/54/284775154.db2.gz FLWXUCDKIVPLAU-VXGBXAGGSA-N 2 0 282.388 -0.511 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)C2CC[NH2+]CC2)CCO1 ZINC000353707390 220269865 /nfs/dbraw/zinc/26/98/65/220269865.db2.gz NNPSILUYJOBJPZ-GFCCVEGCSA-N 2 0 255.362 -0.225 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419769083 284792639 /nfs/dbraw/zinc/79/26/39/284792639.db2.gz CQQCPWFOEVSUPI-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000574742845 335043740 /nfs/dbraw/zinc/04/37/40/335043740.db2.gz LFWBDUBXBCSLSM-CHWSQXEVSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]1[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)CCC[N@@H+]1C ZINC000347767402 218349896 /nfs/dbraw/zinc/34/98/96/218349896.db2.gz UTOCKTPUKKLIFT-NWDGAFQWSA-N 2 0 284.404 -0.395 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000347797415 218361943 /nfs/dbraw/zinc/36/19/43/218361943.db2.gz ZGBAYUJZJROPBD-ZDUSSCGKSA-N 2 0 287.404 -0.615 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CC=CCC1 ZINC000574754760 335044777 /nfs/dbraw/zinc/04/47/77/335044777.db2.gz KOXRYROTHDZONF-LLVKDONJSA-N 2 0 269.345 -0.355 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000574754642 335044783 /nfs/dbraw/zinc/04/47/83/335044783.db2.gz GQIUNIARKVCXPI-AXFHLTTASA-N 2 0 257.382 -0.685 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000334940833 207329241 /nfs/dbraw/zinc/32/92/41/207329241.db2.gz PTTLYBNKJJQYDP-GDNZZTSVSA-N 2 0 252.362 -0.060 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000178880627 207427843 /nfs/dbraw/zinc/42/78/43/207427843.db2.gz MWZXWWHXLWLBPV-QWHCGFSZSA-N 2 0 268.405 -0.119 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000418288560 207575148 /nfs/dbraw/zinc/57/51/48/207575148.db2.gz MPIXUUQDQCJTSE-STQMWFEESA-N 2 0 283.420 -0.421 20 0 CBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCN1CC[NH2+]CC1 ZINC000418306431 207576797 /nfs/dbraw/zinc/57/67/97/207576797.db2.gz QWZVMASMPICGRS-ZDUSSCGKSA-N 2 0 285.436 -0.094 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418405374 207581653 /nfs/dbraw/zinc/58/16/53/207581653.db2.gz RAGPMZGRGXQXRZ-GFCCVEGCSA-N 2 0 272.393 -0.057 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418585679 207595369 /nfs/dbraw/zinc/59/53/69/207595369.db2.gz DSYKAGXSMPPHLK-CHWSQXEVSA-N 2 0 283.420 -0.293 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418828510 207610304 /nfs/dbraw/zinc/61/03/04/207610304.db2.gz FRUSIBPXPXKWMK-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C(C)(C)C ZINC000419135579 207646909 /nfs/dbraw/zinc/64/69/09/207646909.db2.gz NHRIXORCYFYBQR-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419138119 207648623 /nfs/dbraw/zinc/64/86/23/207648623.db2.gz QGCKCMGAEBAWTP-WOPDTQHZSA-N 2 0 284.404 -0.314 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000419158469 207655257 /nfs/dbraw/zinc/65/52/57/207655257.db2.gz XUOKTTVNETXJTI-LLVKDONJSA-N 2 0 272.393 -0.441 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000515618945 285022080 /nfs/dbraw/zinc/02/20/80/285022080.db2.gz AAFXDRCDURVJGJ-VXGBXAGGSA-N 2 0 270.377 -0.160 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000342719939 532985514 /nfs/dbraw/zinc/98/55/14/532985514.db2.gz YHPJWPHQBMHZJX-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419840108 207741348 /nfs/dbraw/zinc/74/13/48/207741348.db2.gz ILHKDAGODZSAAI-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000419964374 207769395 /nfs/dbraw/zinc/76/93/95/207769395.db2.gz XHGINQWMSUHSML-CHWSQXEVSA-N 2 0 298.431 -0.064 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](C[NH3+])OC ZINC000262823022 285031958 /nfs/dbraw/zinc/03/19/58/285031958.db2.gz GZZHSGBVDVILDM-NWDGAFQWSA-N 2 0 273.377 -0.423 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419896689 207756585 /nfs/dbraw/zinc/75/65/85/207756585.db2.gz UYVAEMUGGFESTA-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423380275 285037375 /nfs/dbraw/zinc/03/73/75/285037375.db2.gz NPXFPLFVNWZJLD-DYEKYZERSA-N 2 0 267.373 -0.035 20 0 CBADRP COCC[NH2+]CCNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424157402 207962231 /nfs/dbraw/zinc/96/22/31/207962231.db2.gz QVROYAWZYCJCKP-NSHDSACASA-N 2 0 295.387 -0.158 20 0 CBADRP C[NH+]1CCC(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000428654006 208095352 /nfs/dbraw/zinc/09/53/52/208095352.db2.gz ZDPIRYRTLXTKBM-UHFFFAOYSA-N 2 0 254.378 -0.650 20 0 CBADRP [NH3+]C[C@@H](NC(=O)COC1C[NH2+]C1)C1CCCCC1 ZINC000429349333 208118893 /nfs/dbraw/zinc/11/88/93/208118893.db2.gz ARUCIQZRQRMOPM-GFCCVEGCSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]C[C@H](NC(=O)COC1C[NH2+]C1)C1CCCCC1 ZINC000429349334 208120014 /nfs/dbraw/zinc/12/00/14/208120014.db2.gz ARUCIQZRQRMOPM-LBPRGKRZSA-N 2 0 255.362 -0.001 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430725503 208176963 /nfs/dbraw/zinc/17/69/63/208176963.db2.gz UEBQTEUERFTZMC-YPMHNXCESA-N 2 0 298.431 -0.020 20 0 CBADRP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(C[NH3+])CC1 ZINC000430638346 208169944 /nfs/dbraw/zinc/16/99/44/208169944.db2.gz FMJXNNINBKDCGJ-AAEUAGOBSA-N 2 0 296.415 -0.231 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000430695811 208171065 /nfs/dbraw/zinc/17/10/65/208171065.db2.gz AHFAMLAYAHZUPG-LBPRGKRZSA-N 2 0 273.377 -0.551 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@H]2C[NH2+]CCO2)CCOCC1 ZINC000430705663 208171935 /nfs/dbraw/zinc/17/19/35/208171935.db2.gz LTYIEQORKNVQNI-LLVKDONJSA-N 2 0 271.361 -0.798 20 0 CBADRP COC1CC[NH+](C(C)(C)CNC(=O)COC2C[NH2+]C2)CC1 ZINC000430706920 208172561 /nfs/dbraw/zinc/17/25/61/208172561.db2.gz FKNNVGAHLTUXIX-UHFFFAOYSA-N 2 0 299.415 -0.020 20 0 CBADRP O=C(COC1C[NH2+]C1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000430673482 208172721 /nfs/dbraw/zinc/17/27/21/208172721.db2.gz CYAFUPLPVQTLTK-NEPJUHHUSA-N 2 0 253.346 -0.282 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000430710415 208173329 /nfs/dbraw/zinc/17/33/29/208173329.db2.gz AMZOCTDKQGEPDD-CHWSQXEVSA-N 2 0 285.388 -0.408 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000092510123 285075668 /nfs/dbraw/zinc/07/56/68/285075668.db2.gz ZDNAFKUOBRNDBQ-GFCCVEGCSA-N 2 0 255.362 -0.081 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000430717231 208176649 /nfs/dbraw/zinc/17/66/49/208176649.db2.gz YHZHBIZRNQZHLN-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP COCC[NH2+]CC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000178867450 285076465 /nfs/dbraw/zinc/07/64/65/285076465.db2.gz MSWFDDKMJSKANP-MNOVXSKESA-N 2 0 255.362 -0.036 20 0 CBADRP O=C(COC1C[NH2+]C1)NC1CC[NH+](C2CC2)CC1 ZINC000430767481 208182222 /nfs/dbraw/zinc/18/22/22/208182222.db2.gz IUBOHIPCZXBZNR-UHFFFAOYSA-N 2 0 253.346 -0.282 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000430792067 208182692 /nfs/dbraw/zinc/18/26/92/208182692.db2.gz GRPNWRQZACWQSI-UONOGXRCSA-N 2 0 297.399 -0.454 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000430882888 208187072 /nfs/dbraw/zinc/18/70/72/208187072.db2.gz AMQDAQDCVXHRCZ-CHWSQXEVSA-N 2 0 296.415 -0.168 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1(C[NH3+])CCCC1 ZINC000430890082 208187988 /nfs/dbraw/zinc/18/79/88/208187988.db2.gz OYLURSJKTQKZFN-LBPRGKRZSA-N 2 0 296.415 -0.039 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000430891754 208188399 /nfs/dbraw/zinc/18/83/99/208188399.db2.gz WZVJEGFBPVXTEU-NWDGAFQWSA-N 2 0 284.404 -0.455 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[NH3+] ZINC000430877083 208188452 /nfs/dbraw/zinc/18/84/52/208188452.db2.gz IONDKRYXXYANOP-JTQLQIEISA-N 2 0 256.350 -0.996 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000430905117 208189205 /nfs/dbraw/zinc/18/92/05/208189205.db2.gz WTRGCUGZXPEUPC-STQMWFEESA-N 2 0 285.388 -0.408 20 0 CBADRP C[NH2+]C[C@H]1CC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000430957844 208194158 /nfs/dbraw/zinc/19/41/58/208194158.db2.gz VENDSEWLYLPFJA-GFCCVEGCSA-N 2 0 255.362 -0.223 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000431006579 208196436 /nfs/dbraw/zinc/19/64/36/208196436.db2.gz YZBXKKCMSFYADX-RYUDHWBXSA-N 2 0 256.394 -0.406 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000431017368 208198518 /nfs/dbraw/zinc/19/85/18/208198518.db2.gz PYEBJQCFKRCEAJ-ZDUSSCGKSA-N 2 0 284.404 -0.881 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000431020768 208199619 /nfs/dbraw/zinc/19/96/19/208199619.db2.gz DKRVDQZKYHEQAL-UONOGXRCSA-N 2 0 298.431 -0.493 20 0 CBADRP C[NH2+]CC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000431059379 208201510 /nfs/dbraw/zinc/20/15/10/208201510.db2.gz CAICYWIZKPZIKY-LLVKDONJSA-N 2 0 255.362 -0.083 20 0 CBADRP COC(=O)CNC(=O)CN1CC[C@@H](Oc2ccncc2)C1 ZINC000431159783 208204138 /nfs/dbraw/zinc/20/41/38/208204138.db2.gz RAYVCQPKPQNPJM-GFCCVEGCSA-N 2 0 293.323 -0.176 20 0 CBADRP CN1CCC[C@@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)C1=O ZINC000433121367 208237087 /nfs/dbraw/zinc/23/70/87/208237087.db2.gz RKEUEHLGVMQNKO-CYBMUJFWSA-N 2 0 296.415 -0.073 20 0 CBADRP Cc1nc(NC[C@H](C)[NH+](C)C)nc(NC[C@H](C)[NH+](C)C)n1 ZINC000433030720 208237807 /nfs/dbraw/zinc/23/78/07/208237807.db2.gz WVYNYNAXBMFEED-QWRGUYRKSA-N 2 0 295.435 -0.252 20 0 CBADRP CN(C)C(=O)CN(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433157983 208239606 /nfs/dbraw/zinc/23/96/06/208239606.db2.gz IDPOEAFHMHVHOV-UHFFFAOYSA-N 2 0 284.404 -0.264 20 0 CBADRP CN1C[C@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)CCC1=O ZINC000433157431 208240453 /nfs/dbraw/zinc/24/04/53/208240453.db2.gz MCSBICBXUHNLSD-CYBMUJFWSA-N 2 0 296.415 -0.073 20 0 CBADRP CN1CCO[C@@H](C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000438523918 208310458 /nfs/dbraw/zinc/31/04/58/208310458.db2.gz PSOBZSRNWZDVEJ-LLVKDONJSA-N 2 0 255.362 -0.083 20 0 CBADRP CC(CC(=O)NCC[NH+](C)C)CC(=O)NCC[NH+](C)C ZINC000436462579 208295218 /nfs/dbraw/zinc/29/52/18/208295218.db2.gz GBPJBSXALKJQBA-UHFFFAOYSA-N 2 0 286.420 -0.242 20 0 CBADRP CC[C@@](C)([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C(N)=O ZINC000440562101 208342167 /nfs/dbraw/zinc/34/21/67/208342167.db2.gz WKDXBKKHJVYDPW-OAHLLOKOSA-N 2 0 296.415 -0.027 20 0 CBADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000442757398 208365067 /nfs/dbraw/zinc/36/50/67/208365067.db2.gz GQQZGSITUCUOLP-MBNYWOFBSA-N 2 0 296.415 -0.265 20 0 CBADRP Cn1nncc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441367670 208350218 /nfs/dbraw/zinc/35/02/18/208350218.db2.gz IMBOEXYDMZBXOR-UHFFFAOYSA-N 2 0 266.393 -0.069 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC[NH+]2CCC2)CC1=O ZINC000443949878 208397518 /nfs/dbraw/zinc/39/75/18/208397518.db2.gz TZZKQYGMGSFJJM-LBPRGKRZSA-N 2 0 282.388 -0.782 20 0 CBADRP COCC[C@@]1(C(=O)NC[C@H]([NH3+])C2CC2)CC[NH2+]C1 ZINC000378314783 285154991 /nfs/dbraw/zinc/15/49/91/285154991.db2.gz LJLNTLGLVWVSON-AAEUAGOBSA-N 2 0 255.362 -0.144 20 0 CBADRP COC[C@@H]([NH3+])C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000354071906 220526924 /nfs/dbraw/zinc/52/69/24/220526924.db2.gz CMYMDRFIQMMLNG-CYBMUJFWSA-N 2 0 287.404 -0.081 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419576784 285202731 /nfs/dbraw/zinc/20/27/31/285202731.db2.gz CHEVZSIFOQPHFU-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC(=O)NC ZINC000355976446 285242987 /nfs/dbraw/zinc/24/29/87/285242987.db2.gz AODSKXUNYVSGEZ-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C)C[NH3+])CC1=O ZINC000347659304 285254113 /nfs/dbraw/zinc/25/41/13/285254113.db2.gz UVXSUNUSQHYTGD-FRRDWIJNSA-N 2 0 296.415 -0.217 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354662702 220870711 /nfs/dbraw/zinc/87/07/11/220870711.db2.gz BUOIBVUPWJEKEZ-NSHDSACASA-N 2 0 284.404 -0.122 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N[C@H](C)C[NH3+])CC1=O ZINC000470478330 285284995 /nfs/dbraw/zinc/28/49/95/285284995.db2.gz UVXSUNUSQHYTGD-UPJWGTAASA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC000655159633 413029078 /nfs/dbraw/zinc/02/90/78/413029078.db2.gz JTRBMXIRMNTOQJ-QWHCGFSZSA-N 2 0 296.415 -0.093 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000574875225 335054170 /nfs/dbraw/zinc/05/41/70/335054170.db2.gz FIMPDRPSXNXSFS-OFIBSPLFSA-N 2 0 279.384 -0.085 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000517738854 260000896 /nfs/dbraw/zinc/00/08/96/260000896.db2.gz FWNSAOXJHAQHNS-NSHDSACASA-N 2 0 256.394 -0.358 20 0 CBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)CC[NH3+])CC1 ZINC000431025065 285317943 /nfs/dbraw/zinc/31/79/43/285317943.db2.gz XIZAESOXPQWKJY-LBPRGKRZSA-N 2 0 256.394 -0.275 20 0 CBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](C[NH3+])OC)CC1 ZINC000353511748 285318689 /nfs/dbraw/zinc/31/86/89/285318689.db2.gz KHZKBZJNKPISAT-STQMWFEESA-N 2 0 286.420 -0.650 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000575043256 335058328 /nfs/dbraw/zinc/05/83/28/335058328.db2.gz QRMURRMNZRNCAD-VWYCJHECSA-N 2 0 287.360 -0.898 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCCNc1cc[nH+]cc1 ZINC000575056573 335060097 /nfs/dbraw/zinc/06/00/97/335060097.db2.gz GIOITAWUDYHIOQ-LLVKDONJSA-N 2 0 280.328 -0.688 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220875187 285384024 /nfs/dbraw/zinc/38/40/24/285384024.db2.gz DSJYMMLNBUEAAN-SRVKXCTJSA-N 2 0 255.362 -0.097 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000367534797 285384632 /nfs/dbraw/zinc/38/46/32/285384632.db2.gz YLQAJTDSGRLJJG-RNJOBUHISA-N 2 0 267.373 -0.097 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000367534795 285384798 /nfs/dbraw/zinc/38/47/98/285384798.db2.gz YLQAJTDSGRLJJG-CYDGBPFRSA-N 2 0 267.373 -0.097 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C[NH+]1CCCCC1 ZINC000216500367 130757731 /nfs/dbraw/zinc/75/77/31/130757731.db2.gz GXLYNRXQEJTCHI-JHJVBQTASA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](C[NH3+])C1 ZINC000333825397 296521141 /nfs/dbraw/zinc/52/11/41/296521141.db2.gz LNEMQFINIFKMTR-LVEVGFFFSA-N 2 0 252.362 -0.027 20 0 CBADRP O=C([C@@H]1CCCC[NH2+]1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377563718 304318406 /nfs/dbraw/zinc/31/84/06/304318406.db2.gz MDLIOXPBSHQIBS-STQMWFEESA-N 2 0 266.389 -0.365 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000420107313 296582950 /nfs/dbraw/zinc/58/29/50/296582950.db2.gz ATWBCHGWDMYOHM-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333893042 296583660 /nfs/dbraw/zinc/58/36/60/296583660.db2.gz YNEXPIQIBRRBPO-KKOKHZNYSA-N 2 0 252.362 -0.012 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000353438072 285993646 /nfs/dbraw/zinc/99/36/46/285993646.db2.gz YUWDBRWFLIQKQI-RWMBFGLXSA-N 2 0 287.404 -0.034 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)N[C@@H](C)CC[NH3+] ZINC000417755674 292337113 /nfs/dbraw/zinc/33/71/13/292337113.db2.gz QYNNMGPXBHPKLL-NSHDSACASA-N 2 0 260.382 -0.009 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000417760045 292337323 /nfs/dbraw/zinc/33/73/23/292337323.db2.gz XDKYOOPHYNLPPY-QWRGUYRKSA-N 2 0 260.382 -0.010 20 0 CBADRP CC[C@@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[NH+](C)C ZINC000367376879 286732468 /nfs/dbraw/zinc/73/24/68/286732468.db2.gz DQBUZQQJPCKBRA-STQMWFEESA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000419954426 286822951 /nfs/dbraw/zinc/82/29/51/286822951.db2.gz LWVUNNXOQFLGBE-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000419827040 286855283 /nfs/dbraw/zinc/85/52/83/286855283.db2.gz OHMOIGNZUQYTTF-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000419837167 286856328 /nfs/dbraw/zinc/85/63/28/286856328.db2.gz WHRVQLZQQNQFOJ-QWHCGFSZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000420027336 298536159 /nfs/dbraw/zinc/53/61/59/298536159.db2.gz KVHCWFZCYJMPLF-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC([NH+](C)C)C1 ZINC000342139610 298623503 /nfs/dbraw/zinc/62/35/03/298623503.db2.gz ZVUVSYKFJULVAR-LLVKDONJSA-N 2 0 255.362 -0.273 20 0 CBADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)COC2C[NH2+]C2)CC1 ZINC000261997673 287085621 /nfs/dbraw/zinc/08/56/21/287085621.db2.gz OLZVVNCNSKGLPS-GFCCVEGCSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424141054 287085513 /nfs/dbraw/zinc/08/55/13/287085513.db2.gz GPOHHGJGZOTZIX-RTXFEEFZSA-N 2 0 269.389 -0.115 20 0 CBADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC[NH3+] ZINC000419027304 298657400 /nfs/dbraw/zinc/65/74/00/298657400.db2.gz OMOPDNNSYBJPGW-IJLUTSLNSA-N 2 0 284.404 -0.456 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[NH+](C)C ZINC000344665813 298748466 /nfs/dbraw/zinc/74/84/66/298748466.db2.gz MMDFSURWQWSXBA-VXGBXAGGSA-N 2 0 284.404 -0.537 20 0 CBADRP C[NH+](C)C/C=C\C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000491875072 412290505 /nfs/dbraw/zinc/29/05/05/412290505.db2.gz XYQUNMPVGFPZSE-FJOGCWAESA-N 2 0 255.362 -0.107 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000418509264 292561374 /nfs/dbraw/zinc/56/13/74/292561374.db2.gz NUFLSMPYFZKOFK-RYUDHWBXSA-N 2 0 272.393 -0.009 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000377806688 292563070 /nfs/dbraw/zinc/56/30/70/292563070.db2.gz ICBSMCJPCXZCDG-VXGBXAGGSA-N 2 0 257.378 -0.027 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662750891 413990955 /nfs/dbraw/zinc/99/09/55/413990955.db2.gz PHBZSLDHFOXCAY-MRVPVSSYSA-N 2 0 267.333 -0.355 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000662750261 413993647 /nfs/dbraw/zinc/99/36/47/413993647.db2.gz MEACBWYLFUJRIK-IHRRRGAJSA-N 2 0 297.399 -0.469 20 0 CBADRP CN(C(=O)CC[NH3+])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662901342 414060220 /nfs/dbraw/zinc/06/02/20/414060220.db2.gz VOUNVZDXUSPTTH-CYBMUJFWSA-N 2 0 268.405 -0.038 20 0 CBADRP O=C(NCCC[NH+]1CCCCC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000037467355 173226835 /nfs/dbraw/zinc/22/68/35/173226835.db2.gz XYDKLNHCZGZPMM-NEPJUHHUSA-N 2 0 255.362 -0.299 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000575138799 335071872 /nfs/dbraw/zinc/07/18/72/335071872.db2.gz NADMBTCLKNPDTO-QWRGUYRKSA-N 2 0 291.355 -0.059 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351541008 287349488 /nfs/dbraw/zinc/34/94/88/287349488.db2.gz PAJYJBXDJROKBG-OLZOCXBDSA-N 2 0 296.415 -0.297 20 0 CBADRP [NH3+]C[C@@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000575179185 335076359 /nfs/dbraw/zinc/07/63/59/335076359.db2.gz JNPDUVZSPICMIV-GHMZBOCLSA-N 2 0 268.361 -0.902 20 0 CBADRP C[C@@H]1CCN(C(=O)NCCN2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000418296241 287530696 /nfs/dbraw/zinc/53/06/96/287530696.db2.gz JNSFYDKTUIKCKE-OLZOCXBDSA-N 2 0 283.420 -0.340 20 0 CBADRP C[C@@H]1COCCN1CCNC(=O)N(C)CC[NH+](C)C ZINC000356106769 228122833 /nfs/dbraw/zinc/12/28/33/228122833.db2.gz DKJUJGWNLQMQHA-GFCCVEGCSA-N 2 0 272.393 -0.090 20 0 CBADRP C[C@@H](C(=O)N1CCN(C(=O)[C@H](C)[NH+](C)C)[C@@H](C)C1)[NH+](C)C ZINC000078742498 544426675 /nfs/dbraw/zinc/42/66/75/544426675.db2.gz IKSLHZNJNMDYAB-AVGNSLFASA-N 2 0 298.431 -0.054 20 0 CBADRP CC1CC[NH+](CCNC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000089700172 544436819 /nfs/dbraw/zinc/43/68/19/544436819.db2.gz DCZXYJSTDTVLKQ-UHFFFAOYSA-N 2 0 280.376 -0.302 20 0 CBADRP C[C@@H](CNC(=O)c1cn(CC[NH3+])nn1)C[NH+]1CCCC1 ZINC000089709115 544438380 /nfs/dbraw/zinc/43/83/80/544438380.db2.gz WPECIYMXMMCZRT-NSHDSACASA-N 2 0 280.376 -0.302 20 0 CBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000092955649 544440513 /nfs/dbraw/zinc/44/05/13/544440513.db2.gz GTEJOTJXJKMDJJ-CHWSQXEVSA-N 2 0 268.405 -0.262 20 0 CBADRP [NH3+]CCOCC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000093231610 544442498 /nfs/dbraw/zinc/44/24/98/544442498.db2.gz GCBZJPQKNMIELD-UHFFFAOYSA-N 2 0 285.388 -0.468 20 0 CBADRP C[NH+]1CCN(CCNC(=O)CC2([NH3+])CCC2)CC1 ZINC000094294245 544443805 /nfs/dbraw/zinc/44/38/05/544443805.db2.gz VEMSCQMERYVYDI-UHFFFAOYSA-N 2 0 254.378 -0.379 20 0 CBADRP C[NH+](C)CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000130585434 544458317 /nfs/dbraw/zinc/45/83/17/544458317.db2.gz MTVODLXVJBWNFY-LLVKDONJSA-N 2 0 270.377 -0.926 20 0 CBADRP CC1(OCC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[NH2+]C1 ZINC000098061721 544447043 /nfs/dbraw/zinc/44/70/43/544447043.db2.gz IUOBBOLKZMLANT-JTQLQIEISA-N 2 0 253.346 -0.282 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)COCC[NH3+])CC[C@H]21 ZINC000227334084 544494422 /nfs/dbraw/zinc/49/44/22/544494422.db2.gz XYPSQKZXBJHBHO-NWDGAFQWSA-N 2 0 255.362 -0.096 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)COCC[NH3+])CC[C@H]21 ZINC000227334079 544494688 /nfs/dbraw/zinc/49/46/88/544494688.db2.gz XYPSQKZXBJHBHO-VXGBXAGGSA-N 2 0 255.362 -0.096 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000158755747 544473376 /nfs/dbraw/zinc/47/33/76/544473376.db2.gz PBIGFMGVUUPDIP-NWDGAFQWSA-N 2 0 254.378 -0.475 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2CCCC[NH2+]2)CC1=O ZINC000237160788 544507731 /nfs/dbraw/zinc/50/77/31/544507731.db2.gz HIPOILFMJFCVFN-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NCC[NH2+]C2CC2)CC1 ZINC000236874253 544508689 /nfs/dbraw/zinc/50/86/89/544508689.db2.gz UFGBAOXDWDRAMV-UHFFFAOYSA-N 2 0 268.405 -0.118 20 0 CBADRP CS(=O)(=O)N1CCC[C@H](C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000250949296 544513499 /nfs/dbraw/zinc/51/34/99/544513499.db2.gz NTMGLOURUDCASX-AGIUHOORSA-N 2 0 287.429 -0.191 20 0 CBADRP CC(C)[N@H+](C)C[C@@H](O)CNC1(CO)CCOCC1 ZINC000310882871 544529915 /nfs/dbraw/zinc/52/99/15/544529915.db2.gz OAAGBTOQLTXSQW-LBPRGKRZSA-N 2 0 260.378 -0.181 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322398056 544530999 /nfs/dbraw/zinc/53/09/99/544530999.db2.gz SXPLUAKLRZCQBJ-CMGMYYOESA-N 2 0 296.415 -0.173 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000343007409 544554639 /nfs/dbraw/zinc/55/46/39/544554639.db2.gz GHIDZLNZXKMDGB-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP CC(C)C[NH+]1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000037821737 419410107 /nfs/dbraw/zinc/41/01/07/419410107.db2.gz NMYWMSNEDRETTK-UHFFFAOYSA-N 2 0 268.405 -0.308 20 0 CBADRP C[N@@H+]1CC[C@@]2(C1)CCCN(CCN1C(=O)CNC1=O)C2 ZINC000660658708 419416073 /nfs/dbraw/zinc/41/60/73/419416073.db2.gz JIEVJBHGFAMDPI-CQSZACIVSA-N 2 0 280.372 -0.044 20 0 CBADRP Cc1nc(N)nc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)n1 ZINC000631299726 419478910 /nfs/dbraw/zinc/47/89/10/419478910.db2.gz BEEYZHPNOZPVKE-DTORHVGOSA-N 2 0 266.349 -0.346 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCOC1 ZINC000103212595 419480527 /nfs/dbraw/zinc/48/05/27/419480527.db2.gz AIJCSNPWKPZBJB-GFCCVEGCSA-N 2 0 257.378 -0.025 20 0 CBADRP C[N@@H+]1CC[C@]2(C1)CCCN(CC(=O)N1CCNC1=O)C2 ZINC000660653744 419420507 /nfs/dbraw/zinc/42/05/07/419420507.db2.gz VPNNATIEAWBWQW-AWEZNQCLSA-N 2 0 280.372 -0.044 20 0 CBADRP CN(CCOCC[NH3+])C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000625864095 419430704 /nfs/dbraw/zinc/43/07/04/419430704.db2.gz KVQLLNNTNBUZEB-UHFFFAOYSA-N 2 0 298.391 -0.116 20 0 CBADRP CC(C)[C@@H](C[NH3+])C(=O)NCCCN1CC[NH+](C)CC1 ZINC000087531272 419468065 /nfs/dbraw/zinc/46/80/65/419468065.db2.gz XLPBDAJMLJUHOY-CYBMUJFWSA-N 2 0 270.421 -0.029 20 0 CBADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394370600 544578563 /nfs/dbraw/zinc/57/85/63/544578563.db2.gz CLXALWMEFATYLM-VXGBXAGGSA-N 2 0 268.405 -0.134 20 0 CBADRP CC(C)[NH+]1CCN(CCC[NH+](CCO)CCO)CC1 ZINC000192732855 419540533 /nfs/dbraw/zinc/54/05/33/419540533.db2.gz KBIBPMGXXWMAJK-UHFFFAOYSA-N 2 0 273.421 -0.311 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394370643 544578732 /nfs/dbraw/zinc/57/87/32/544578732.db2.gz DHYRFSUFMQSAQR-NWDGAFQWSA-N 2 0 254.378 -0.652 20 0 CBADRP C[N@@H+](CCc1nnn(C(C)(C)C)n1)CCN1CC[NH2+]CC1 ZINC000662244682 419556607 /nfs/dbraw/zinc/55/66/07/419556607.db2.gz FJMZHWSLGBEZOY-UHFFFAOYSA-N 2 0 295.435 -0.192 20 0 CBADRP CCC[N@@H+](CC(=O)NC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253168 419560936 /nfs/dbraw/zinc/56/09/36/419560936.db2.gz RYAFXNPUOKOZJJ-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP CS(=O)(=O)N[C@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254252 419561930 /nfs/dbraw/zinc/56/19/30/419561930.db2.gz GLBUXZSAHOPLHB-WDEREUQCSA-N 2 0 289.401 -0.869 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662261644 419568826 /nfs/dbraw/zinc/56/88/26/419568826.db2.gz LNWSBMRQFDGVGA-AWEZNQCLSA-N 2 0 296.415 -0.785 20 0 CBADRP CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254250 419563409 /nfs/dbraw/zinc/56/34/09/419563409.db2.gz GLBUXZSAHOPLHB-MNOVXSKESA-N 2 0 289.401 -0.869 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000220094007 419563910 /nfs/dbraw/zinc/56/39/10/419563910.db2.gz HSLLMLKKMMQICB-SNVBAGLBSA-N 2 0 268.365 -0.303 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000389613270 544577856 /nfs/dbraw/zinc/57/78/56/544577856.db2.gz YNRUBYQIPSTECZ-YPMHNXCESA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)(CO)[NH+]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662263554 419565300 /nfs/dbraw/zinc/56/53/00/419565300.db2.gz MZRPMFMDOZCQJI-CYBMUJFWSA-N 2 0 283.416 -0.104 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394370642 544579051 /nfs/dbraw/zinc/57/90/51/544579051.db2.gz DHYRFSUFMQSAQR-NEPJUHHUSA-N 2 0 254.378 -0.652 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394374198 544579093 /nfs/dbraw/zinc/57/90/93/544579093.db2.gz RXUHDJJUNFUHNP-XQQFMLRXSA-N 2 0 268.405 -0.134 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394376553 544579511 /nfs/dbraw/zinc/57/95/11/544579511.db2.gz UBTJTQGDEDNRTC-UWVGGRQHSA-N 2 0 276.331 -0.525 20 0 CBADRP C[NH+](C)CCOCCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662536687 419632860 /nfs/dbraw/zinc/63/28/60/419632860.db2.gz XUKMHHSIYSMRFU-LLVKDONJSA-N 2 0 295.387 -0.205 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)c1cn(CC[NH3+])nn1 ZINC000662536331 419633183 /nfs/dbraw/zinc/63/31/83/419633183.db2.gz KUKUVLXELHRXHX-LLVKDONJSA-N 2 0 298.391 -0.677 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)c2cn(CC[NH3+])nn2)C[N@@H+]1C1CC1 ZINC000662539653 419634948 /nfs/dbraw/zinc/63/49/48/419634948.db2.gz GWAOCUOFAWPTBB-VHSXEESVSA-N 2 0 278.360 -0.408 20 0 CBADRP C[NH2+]CCCC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394378748 544579929 /nfs/dbraw/zinc/57/99/29/544579929.db2.gz BFRHDVXGCBRCTC-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP C[C@@H](NC(=O)COC1(C)C[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000647723926 419638182 /nfs/dbraw/zinc/63/81/82/419638182.db2.gz AUWSDAQNLVMPFW-MNOVXSKESA-N 2 0 255.362 -0.131 20 0 CBADRP CC(C)(C)[C@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)C(N)=O ZINC000662259150 419570085 /nfs/dbraw/zinc/57/00/85/419570085.db2.gz QWDLISKBBQWIAS-VHSXEESVSA-N 2 0 255.362 -0.003 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@H]2CNCCO2)CC1 ZINC000662273282 419570463 /nfs/dbraw/zinc/57/04/63/419570463.db2.gz LCBINJGKOUXFRE-MCIONIFRSA-N 2 0 269.389 -0.197 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000236872634 419570640 /nfs/dbraw/zinc/57/06/40/419570640.db2.gz LCHIYFKJMGMPFN-QWHCGFSZSA-N 2 0 268.405 -0.133 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000236724347 419570823 /nfs/dbraw/zinc/57/08/23/419570823.db2.gz YSBGUCZUNGHGNU-STQMWFEESA-N 2 0 296.415 -0.265 20 0 CBADRP CO[C@H](CN(CC[NH3+])C[C@H](O)CO)C1CCCC1 ZINC000662285583 419571086 /nfs/dbraw/zinc/57/10/86/419571086.db2.gz DWNGHWCRTFAQBZ-QWHCGFSZSA-N 2 0 260.378 -0.195 20 0 CBADRP CCO[C@@H]1CN([C@@H]2CCN(CC)C2=O)C[C@H]1C[NH3+] ZINC000662285295 419571337 /nfs/dbraw/zinc/57/13/37/419571337.db2.gz IXQFEMMNDYICOZ-IJLUTSLNSA-N 2 0 255.362 -0.097 20 0 CBADRP NS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662277818 419573074 /nfs/dbraw/zinc/57/30/74/419573074.db2.gz UMWCFVGHIQNVMM-GHMZBOCLSA-N 2 0 289.401 -0.740 20 0 CBADRP CC1CCN(C(=O)CNC2(CO)CC[NH2+]CC2)CC1 ZINC000662285539 419573887 /nfs/dbraw/zinc/57/38/87/419573887.db2.gz CTZNNDMIUAFYLY-UHFFFAOYSA-N 2 0 269.389 -0.051 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000236724380 419574099 /nfs/dbraw/zinc/57/40/99/419574099.db2.gz YSBGUCZUNGHGNU-OLZOCXBDSA-N 2 0 296.415 -0.265 20 0 CBADRP NS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662277820 419574455 /nfs/dbraw/zinc/57/44/55/419574455.db2.gz UMWCFVGHIQNVMM-MNOVXSKESA-N 2 0 289.401 -0.740 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1([NH3+])CC1 ZINC000237017209 419577510 /nfs/dbraw/zinc/57/75/10/419577510.db2.gz UFJGGCNCAYXMQG-NSHDSACASA-N 2 0 282.388 -0.463 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237091844 419577829 /nfs/dbraw/zinc/57/78/29/419577829.db2.gz VXDJXGBUGGQLBO-KBPBESRZSA-N 2 0 299.415 -0.018 20 0 CBADRP CCO[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C[NH3+] ZINC000662287424 419577943 /nfs/dbraw/zinc/57/79/43/419577943.db2.gz ZTXMATJMTOEBOB-JHJVBQTASA-N 3 0 269.389 -0.197 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(C)(C)[NH3+] ZINC000237027260 419578171 /nfs/dbraw/zinc/57/81/71/419578171.db2.gz WNFVVICUYHNVHQ-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CC[NH2+]C1 ZINC000394396599 544581367 /nfs/dbraw/zinc/58/13/67/544581367.db2.gz BPTBZFSFQHZWFA-HIFRSBDPSA-N 2 0 296.415 -0.881 20 0 CBADRP COC[C@@]1(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CCC[NH2+]1 ZINC000662562160 419639366 /nfs/dbraw/zinc/63/93/66/419639366.db2.gz GVOOAYPUBPDFOC-MDZLAQPJSA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(CC1CC[NH2+]CC1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394385177 544581920 /nfs/dbraw/zinc/58/19/20/544581920.db2.gz LAZKWLOWBIQKMG-CQSZACIVSA-N 2 0 280.416 -0.118 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CC12CC[NH2+]CC2 ZINC000394382413 544582008 /nfs/dbraw/zinc/58/20/08/544582008.db2.gz WFVXCQPNVSUYDC-KGLIPLIRSA-N 2 0 292.427 -0.118 20 0 CBADRP O=C(CC[N@@H+]1CC[C@@H]2COC[C@H]2C1)N1CC[NH2+]CC1 ZINC000662317501 419585783 /nfs/dbraw/zinc/58/57/83/419585783.db2.gz QIJYUBAUMNKXLU-CHWSQXEVSA-N 2 0 267.373 -0.223 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C[NH2+]C2CC2)C1 ZINC000237909379 419586231 /nfs/dbraw/zinc/58/62/31/419586231.db2.gz WZDOTUXYYGMGBG-LLVKDONJSA-N 2 0 282.388 -0.558 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(CCN2CC[NH2+]CC2)CCO1 ZINC000662326839 419587151 /nfs/dbraw/zinc/58/71/51/419587151.db2.gz DKJTWILYKVLRHX-OAHLLOKOSA-N 2 0 284.448 -0.066 20 0 CBADRP CC[NH+](CC)[C@@H](C)CNC(=O)c1cn(CC[NH3+])nn1 ZINC000662383229 419590988 /nfs/dbraw/zinc/59/09/88/419590988.db2.gz JGBPRVVBGNWBFH-JTQLQIEISA-N 2 0 268.365 -0.303 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC2(C[NH3+])CC2)C1 ZINC000647489190 419591702 /nfs/dbraw/zinc/59/17/02/419591702.db2.gz VZGRHFVUDKVEMP-NSHDSACASA-N 3 0 254.378 -0.488 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662395268 419592209 /nfs/dbraw/zinc/59/22/09/419592209.db2.gz KTEPUMJIXFOWJV-UWVGGRQHSA-N 2 0 263.345 -0.032 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000662389814 419593118 /nfs/dbraw/zinc/59/31/18/419593118.db2.gz FINXGTIBKABATL-GFCCVEGCSA-N 2 0 268.405 -0.214 20 0 CBADRP CO[C@]1(CO)CCCN(C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000401706107 544585972 /nfs/dbraw/zinc/58/59/72/544585972.db2.gz DRAYDUWQJRNSEG-UONOGXRCSA-N 2 0 272.389 -0.085 20 0 CBADRP Nc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cn1 ZINC000647489669 419594393 /nfs/dbraw/zinc/59/43/93/419594393.db2.gz WMPKLHTWZGWKKV-GFCCVEGCSA-N 2 0 277.372 -0.049 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000662405126 419595142 /nfs/dbraw/zinc/59/51/42/419595142.db2.gz KQKLOAHSJUEMKM-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662401716 419596422 /nfs/dbraw/zinc/59/64/22/419596422.db2.gz QMEQXKXAGRAJBG-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000662403856 419596585 /nfs/dbraw/zinc/59/65/85/419596585.db2.gz BLCKLKGNPSPBSG-NEPJUHHUSA-N 2 0 296.415 -0.312 20 0 CBADRP O=C(CNC(=O)C1([NH2+]C2CC2)CCC1)N1CC[NH2+]CC1 ZINC000662401730 419597141 /nfs/dbraw/zinc/59/71/41/419597141.db2.gz QTNYGCNHJJNEKV-UHFFFAOYSA-N 2 0 280.372 -0.791 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662402134 419597254 /nfs/dbraw/zinc/59/72/54/419597254.db2.gz XVBBBZINQAKDRR-UHFFFAOYSA-N 2 0 294.399 -0.462 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000647723895 419639991 /nfs/dbraw/zinc/63/99/91/419639991.db2.gz AAUYWHAIBDONAN-GVXVVHGQSA-N 2 0 284.404 -0.410 20 0 CBADRP CC[C@H](C)C[C@@H](CO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000647524899 419601010 /nfs/dbraw/zinc/60/10/10/419601010.db2.gz KONUBGQERCQAKD-KKUMJFAQSA-N 2 0 287.448 -0.019 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000662425857 419601063 /nfs/dbraw/zinc/60/10/63/419601063.db2.gz KCKFZFOZTMQIEQ-MRVPVSSYSA-N 2 0 267.337 -0.849 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](CN2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000647534022 419601403 /nfs/dbraw/zinc/60/14/03/419601403.db2.gz DREBDJNWPWKAAV-MCIONIFRSA-N 2 0 280.416 -0.133 20 0 CBADRP CC(C)[NH2+]CC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000662426568 419603747 /nfs/dbraw/zinc/60/37/47/419603747.db2.gz VKLDUSPDDZKJOT-UHFFFAOYSA-N 2 0 267.337 -0.849 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662425288 419603836 /nfs/dbraw/zinc/60/38/36/419603836.db2.gz ZYLJZKKMTFTEPK-NSHDSACASA-N 2 0 280.376 -0.084 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](CN2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000647534023 419604299 /nfs/dbraw/zinc/60/42/99/419604299.db2.gz DREBDJNWPWKAAV-MGPQQGTHSA-N 2 0 280.416 -0.133 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000647542306 419606222 /nfs/dbraw/zinc/60/62/22/419606222.db2.gz OGUBTHNPDAYHLJ-HZSPNIEDSA-N 3 0 280.416 -0.133 20 0 CBADRP CC(C)[NH2+]CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000662444851 419607614 /nfs/dbraw/zinc/60/76/14/419607614.db2.gz LVQDWIJZTRCZCS-UHFFFAOYSA-N 2 0 296.415 -0.249 20 0 CBADRP CC1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C[NH2+]C1 ZINC000399457334 544584419 /nfs/dbraw/zinc/58/44/19/544584419.db2.gz ISLBFXNHHUYGOZ-LLVKDONJSA-N 2 0 252.362 -0.898 20 0 CBADRP CO[C@@]1(CO)CCCN(C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000401706102 544585037 /nfs/dbraw/zinc/58/50/37/544585037.db2.gz DRAYDUWQJRNSEG-KBPBESRZSA-N 2 0 272.389 -0.085 20 0 CBADRP CC(C)[NH2+]CC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000662480364 419618232 /nfs/dbraw/zinc/61/82/32/419618232.db2.gz RQPDFIALLKUBCV-CYBMUJFWSA-N 2 0 270.421 -0.016 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1C[NH2+]CCC1(F)F ZINC000647605679 419624795 /nfs/dbraw/zinc/62/47/95/419624795.db2.gz KMCFVCFEBSZNQI-NSHDSACASA-N 2 0 290.358 -0.357 20 0 CBADRP C[C@H](NC(=O)C[NH+](C)C)[C@H](C)NC(=O)C[NH+](C)C ZINC000647619571 419626050 /nfs/dbraw/zinc/62/60/50/419626050.db2.gz PSKORCLLYJCVII-UWVGGRQHSA-N 2 0 258.366 -0.881 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000662516551 419628520 /nfs/dbraw/zinc/62/85/20/419628520.db2.gz JBJPNMYZNIFBPK-RWMBFGLXSA-N 2 0 266.389 -0.380 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)NCCN1CC[NH+](CC)CC1 ZINC000662525239 419629346 /nfs/dbraw/zinc/62/93/46/419629346.db2.gz FZZRWGKWZFBOLB-GFCCVEGCSA-N 2 0 256.394 -0.262 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCCN(C)CCC[NH+](C)C ZINC000662630593 419661102 /nfs/dbraw/zinc/66/11/02/419661102.db2.gz FZNKIVPESFTGII-NWDGAFQWSA-N 2 0 258.410 -0.031 20 0 CBADRP C[C@@H]1CCCN(C(=O)COC2(C)C[NH2+]C2)[C@H]1C[NH3+] ZINC000647820900 419661651 /nfs/dbraw/zinc/66/16/51/419661651.db2.gz LEFNQLKLLFYPBI-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP O=C([C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1)N1CC[NH2+]CC1 ZINC000647825637 419662459 /nfs/dbraw/zinc/66/24/59/419662459.db2.gz ZUMVUPSRDIZCNU-RYUDHWBXSA-N 2 0 280.372 -0.981 20 0 CBADRP C[C@H](CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000662635399 419664146 /nfs/dbraw/zinc/66/41/46/419664146.db2.gz VBRVMZQSTMIWSY-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP CC1(OCC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[NH2+]C1 ZINC000647829475 419665396 /nfs/dbraw/zinc/66/53/96/419665396.db2.gz MKFLAOGYOHNKFV-GHMZBOCLSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]C1(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CCCC1 ZINC000662648540 419666087 /nfs/dbraw/zinc/66/60/87/419666087.db2.gz IHLAPONKYRHEGS-LLVKDONJSA-N 2 0 282.388 -0.368 20 0 CBADRP CC1(C)C[NH2+]CCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000647841472 419670139 /nfs/dbraw/zinc/67/01/39/419670139.db2.gz WIAPIZXOQVMMRE-JTQLQIEISA-N 2 0 268.361 -0.935 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000662659360 419673381 /nfs/dbraw/zinc/67/33/81/419673381.db2.gz KKMNZYHHMISLFE-WFASDCNBSA-N 2 0 296.415 -0.536 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CC(C)(C)[NH3+] ZINC000662659158 419674631 /nfs/dbraw/zinc/67/46/31/419674631.db2.gz INXCXEQBLOLNIM-UHFFFAOYSA-N 2 0 272.393 -0.408 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662668260 419677549 /nfs/dbraw/zinc/67/75/49/419677549.db2.gz JWBIHQFKVJKPGU-HZSPNIEDSA-N 2 0 299.415 -0.177 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000662672418 419678723 /nfs/dbraw/zinc/67/87/23/419678723.db2.gz ZEBCOJREEPVWDV-XJFOESAGSA-N 2 0 299.415 -0.034 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000662668268 419679355 /nfs/dbraw/zinc/67/93/55/419679355.db2.gz JWBIHQFKVJKPGU-RDBSUJKOSA-N 2 0 299.415 -0.177 20 0 CBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662679597 419679577 /nfs/dbraw/zinc/67/95/77/419679577.db2.gz ARFAGALUCCBCFJ-TXEJJXNPSA-N 2 0 269.389 -0.195 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000662683678 419680437 /nfs/dbraw/zinc/68/04/37/419680437.db2.gz QYZASMOJTJUJBA-OLZOCXBDSA-N 2 0 285.388 -0.421 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)c2c[nH+]ccc2N)CCO1 ZINC000647876936 419680911 /nfs/dbraw/zinc/68/09/11/419680911.db2.gz DLRYYKUWGIMFMA-GZMMTYOYSA-N 2 0 250.302 -0.318 20 0 CBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000662684874 419681059 /nfs/dbraw/zinc/68/10/59/419681059.db2.gz KSVHVNNMZGAXAU-QWHCGFSZSA-N 2 0 267.373 -0.096 20 0 CBADRP C[C@H](CNC(=O)C1(O)C[NH2+]C1)[N@@H+]1CCC[C@H](C)C1 ZINC000662679990 419681750 /nfs/dbraw/zinc/68/17/50/419681750.db2.gz RBSPMDBFURRPBD-WDEREUQCSA-N 2 0 255.362 -0.443 20 0 CBADRP OCC[NH2+]C1CCN(c2ncnc3c2OCCN3)CC1 ZINC000647875591 419682081 /nfs/dbraw/zinc/68/20/81/419682081.db2.gz ILNNPVUDJDXWBW-UHFFFAOYSA-N 2 0 279.344 -0.168 20 0 CBADRP C[C@@H](CNC(=O)C1(O)C[NH2+]C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000662679988 419682844 /nfs/dbraw/zinc/68/28/44/419682844.db2.gz RBSPMDBFURRPBD-MNOVXSKESA-N 2 0 255.362 -0.443 20 0 CBADRP O=C(NC1CC1)[C@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000647879557 419683324 /nfs/dbraw/zinc/68/33/24/419683324.db2.gz NYEQFQKDIKZMJK-CYBMUJFWSA-N 2 0 266.389 -0.365 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC000647878396 419685185 /nfs/dbraw/zinc/68/51/85/419685185.db2.gz BRCSQBPYAAWBHZ-KKOKHZNYSA-N 2 0 255.362 -0.099 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000662769481 419714913 /nfs/dbraw/zinc/71/49/13/419714913.db2.gz FFXNGCHBXDXLRO-USZNOCQGSA-N 2 0 253.346 -0.297 20 0 CBADRP O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N1CCNC(=O)C1 ZINC000647901707 419687060 /nfs/dbraw/zinc/68/70/60/419687060.db2.gz UEHVEJGEHBRAEM-STQMWFEESA-N 2 0 294.399 -0.591 20 0 CBADRP CCN1C(=O)[C@@H]2C[N@H+](CC3CC[NH2+]CC3)CCN2C1=O ZINC000647891632 419688355 /nfs/dbraw/zinc/68/83/55/419688355.db2.gz ZDPSURWYLUWEFC-LBPRGKRZSA-N 2 0 280.372 -0.046 20 0 CBADRP CO[C@@H]1CCN(CCC(=O)N2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000647907026 419688470 /nfs/dbraw/zinc/68/84/70/419688470.db2.gz ZSEPPLBSIDYLLF-CHWSQXEVSA-N 3 0 284.404 -0.754 20 0 CBADRP CS(=O)(=O)NCCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904132 419688498 /nfs/dbraw/zinc/68/84/98/419688498.db2.gz XKRWBJRHMRYNKH-VXGBXAGGSA-N 2 0 275.418 0.000 20 0 CBADRP CCn1nc2c(cc1=O)C[N@@H+](CCN1CC[NH2+]CC1)CC2 ZINC000647891504 419689255 /nfs/dbraw/zinc/68/92/55/419689255.db2.gz KKLDIXODJFFRKP-UHFFFAOYSA-N 2 0 291.399 -0.474 20 0 CBADRP CC[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647934359 419691887 /nfs/dbraw/zinc/69/18/87/419691887.db2.gz BVUPBMJUMPHNEJ-CHWSQXEVSA-N 3 0 268.405 -0.133 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000662703599 419692603 /nfs/dbraw/zinc/69/26/03/419692603.db2.gz MLJABGLQGOVIAW-OBJOEFQTSA-N 2 0 267.373 -0.177 20 0 CBADRP O=C(N1CCC[N@@H+](C2CCCC2)CC1)C1(O)C[NH2+]C1 ZINC000662705404 419693901 /nfs/dbraw/zinc/69/39/01/419693901.db2.gz NXOZGBLMMRWTGF-UHFFFAOYSA-N 2 0 267.373 -0.202 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC000662704232 419694277 /nfs/dbraw/zinc/69/42/77/419694277.db2.gz XAQUPDSBKHADQU-RYUDHWBXSA-N 2 0 256.394 -0.134 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662704036 419695032 /nfs/dbraw/zinc/69/50/32/419695032.db2.gz SBLHZOQEYYNUGE-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662713329 419696837 /nfs/dbraw/zinc/69/68/37/419696837.db2.gz YWKWCKUUKIZZFT-UPJWGTAASA-N 2 0 285.388 -0.423 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000662718287 419698493 /nfs/dbraw/zinc/69/84/93/419698493.db2.gz XMPOSEXBFRYXOW-CVZZAPKMSA-N 2 0 290.371 -0.316 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000662719493 419698572 /nfs/dbraw/zinc/69/85/72/419698572.db2.gz DFYIUVHJIPFPES-AGIUHOORSA-N 2 0 267.373 -0.049 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662721162 419701224 /nfs/dbraw/zinc/70/12/24/419701224.db2.gz KNVFCPZPOLVEPU-QJPTWQEYSA-N 2 0 271.361 -0.813 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662721163 419704292 /nfs/dbraw/zinc/70/42/92/419704292.db2.gz KNVFCPZPOLVEPU-SDDRHHMPSA-N 2 0 271.361 -0.813 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C2(C)C[NH2+]C2)CC1 ZINC000662742563 419705815 /nfs/dbraw/zinc/70/58/15/419705815.db2.gz DLPHBJYEWZWQJB-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP O=C(CCN1CC[C@@H]2CC[NH2+][C@H]2C1)N1CC[NH2+]CC1 ZINC000647987652 419705782 /nfs/dbraw/zinc/70/57/82/419705782.db2.gz NUICXOQVMMYUQF-STQMWFEESA-N 2 0 266.389 -0.508 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662730891 419706550 /nfs/dbraw/zinc/70/65/50/419706550.db2.gz UIHSPQYPNIADPG-NEPJUHHUSA-N 2 0 284.404 -0.266 20 0 CBADRP CCC[C@@](C)([NH3+])C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662754768 419710167 /nfs/dbraw/zinc/71/01/67/419710167.db2.gz VFAIPUNRPCYHMD-GFCCVEGCSA-N 2 0 267.333 -0.225 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662759436 419711180 /nfs/dbraw/zinc/71/11/80/419711180.db2.gz WPKAPSYQGFXCRE-JOCQHMNTSA-N 2 0 268.405 -0.133 20 0 CBADRP O=C(N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C1(O)C[NH2+]C1 ZINC000662762495 419712107 /nfs/dbraw/zinc/71/21/07/419712107.db2.gz WKAYLVDDVUPCPV-QWRGUYRKSA-N 2 0 253.346 -0.689 20 0 CBADRP CC(C)[C@H]1CN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC[NH2+]1 ZINC000662770229 419712894 /nfs/dbraw/zinc/71/28/94/419712894.db2.gz NGJHSKCOYTUOSC-IJLUTSLNSA-N 2 0 255.362 -0.193 20 0 CBADRP O=C(N1CCC2(CC[NH2+]CC2)CC1)C1(O)C[NH2+]C1 ZINC000662770864 419713219 /nfs/dbraw/zinc/71/32/19/419713219.db2.gz BYLIQPHTMLBMKH-UHFFFAOYSA-N 2 0 253.346 -0.687 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662555983 419641273 /nfs/dbraw/zinc/64/12/73/419641273.db2.gz ZFOCFNRVUCCHPO-JQWIXIFHSA-N 2 0 292.387 -0.070 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662555984 419641869 /nfs/dbraw/zinc/64/18/69/419641869.db2.gz ZFOCFNRVUCCHPO-PWSUYJOCSA-N 2 0 292.387 -0.070 20 0 CBADRP C[C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C[C@H]1[NH3+] ZINC000662570927 419642684 /nfs/dbraw/zinc/64/26/84/419642684.db2.gz BXNLCCFKZNEUAJ-FXPVBKGRSA-N 2 0 263.345 -0.094 20 0 CBADRP [NH3+]CCn1cc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)nn1 ZINC000662564182 419644999 /nfs/dbraw/zinc/64/49/99/419644999.db2.gz NFTPVYPHIHXDAZ-XYPYZODXSA-N 2 0 280.376 -0.268 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662592041 419647810 /nfs/dbraw/zinc/64/78/10/419647810.db2.gz DJAPTSIVDOUBMI-LBPRGKRZSA-N 2 0 282.388 -0.701 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662604564 419649996 /nfs/dbraw/zinc/64/99/96/419649996.db2.gz GXNQZSTTXYYJNL-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP CC(C)[NH2+]CCC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647769847 419650841 /nfs/dbraw/zinc/65/08/41/419650841.db2.gz MEZMPSXDLMHWDT-UHFFFAOYSA-N 2 0 256.394 -0.262 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)C1([NH3+])CCCC1 ZINC000647769677 419651092 /nfs/dbraw/zinc/65/10/92/419651092.db2.gz FBDWEWFFKWCNTM-UHFFFAOYSA-N 2 0 254.378 -0.379 20 0 CBADRP CC(C)C[C@@H]([NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647770012 419651846 /nfs/dbraw/zinc/65/18/46/419651846.db2.gz UCHNECWHVFZOGP-GFCCVEGCSA-N 2 0 256.394 -0.277 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)COC1CCC([NH3+])CC1 ZINC000647777698 419653351 /nfs/dbraw/zinc/65/33/51/419653351.db2.gz XGCODXATLBDXLV-UHFFFAOYSA-N 2 0 298.431 -0.364 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000647777682 419653672 /nfs/dbraw/zinc/65/36/72/419653672.db2.gz WMBYNGNXHKKMSM-LLVKDONJSA-N 2 0 290.358 -0.405 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647777125 419654052 /nfs/dbraw/zinc/65/40/52/419654052.db2.gz ATNPTZMWVHKFTI-LSDHHAIUSA-N 2 0 294.443 -0.014 20 0 CBADRP CC(C)[C@H](C(=O)N(C)CCN1CC[NH2+]CC1)[C@@H](C)[NH3+] ZINC000647779206 419654984 /nfs/dbraw/zinc/65/49/84/419654984.db2.gz VRIOUSHUJFTNMN-OLZOCXBDSA-N 2 0 270.421 -0.031 20 0 CBADRP CC[C@@]1(C(=O)N(C)CCN2CC[NH2+]CC2)CCC[NH2+]1 ZINC000647777479 419655645 /nfs/dbraw/zinc/65/56/45/419655645.db2.gz SCVZUMANHRJECP-AWEZNQCLSA-N 2 0 268.405 -0.118 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000647777683 419655914 /nfs/dbraw/zinc/65/59/14/419655914.db2.gz WMBYNGNXHKKMSM-NSHDSACASA-N 2 0 290.358 -0.405 20 0 CBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCN(C)CCC[NH+](C)C ZINC000662632678 419657728 /nfs/dbraw/zinc/65/77/28/419657728.db2.gz SQYVUVDOSVAVSK-CHWSQXEVSA-N 2 0 270.421 -0.016 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000331411189 419659145 /nfs/dbraw/zinc/65/91/45/419659145.db2.gz RMJBHYPPFAPQHO-NTZNESFSSA-N 2 0 294.399 -0.594 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000662771663 419714127 /nfs/dbraw/zinc/71/41/27/419714127.db2.gz IJIXTRBLQLEEGP-YFKTTZPYSA-N 2 0 253.346 -0.439 20 0 CBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000662790253 419725284 /nfs/dbraw/zinc/72/52/84/419725284.db2.gz BGDZIECVIFIGJP-NWDGAFQWSA-N 2 0 253.346 -0.343 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)CN1CCCC[C@@H]([NH3+])C1=O ZINC000648108441 419730414 /nfs/dbraw/zinc/73/04/14/419730414.db2.gz VDSFQKMTLUNKEP-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP CC1(OCC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[NH2+]C1 ZINC000648109121 419731334 /nfs/dbraw/zinc/73/13/34/419731334.db2.gz ZFHKNKLXNQQLSJ-TUAOUCFPSA-N 2 0 267.373 -0.049 20 0 CBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000662796862 419731489 /nfs/dbraw/zinc/73/14/89/419731489.db2.gz CUILZYIYVHYQQN-VXGBXAGGSA-N 2 0 271.361 -0.811 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)COC1(C)C[NH2+]C1 ZINC000648108293 419733125 /nfs/dbraw/zinc/73/31/25/419733125.db2.gz AKMMTQJZMSRRNI-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662813276 419735917 /nfs/dbraw/zinc/73/59/17/419735917.db2.gz ISPHLKQAUIUCJY-RYUDHWBXSA-N 2 0 283.372 -0.934 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662821867 419737279 /nfs/dbraw/zinc/73/72/79/419737279.db2.gz IPPQDIZSDOPLGY-UHFFFAOYSA-N 2 0 280.376 -0.207 20 0 CBADRP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)C1(O)C[NH2+]C1 ZINC000662815726 419737577 /nfs/dbraw/zinc/73/75/77/419737577.db2.gz TVWZNPUFVRDTMJ-UHFFFAOYSA-N 2 0 282.369 -0.117 20 0 CBADRP COC1(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC[NH2+]CC1 ZINC000648123030 419737920 /nfs/dbraw/zinc/73/79/20/419737920.db2.gz HPKQLUFPOLJMPK-RYUDHWBXSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+][C@@H]1CCCCN(CC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1=O ZINC000648123613 419738033 /nfs/dbraw/zinc/73/80/33/419738033.db2.gz BOWMUZWRMMQJRL-XQQFMLRXSA-N 2 0 294.399 -0.463 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000648124012 419739498 /nfs/dbraw/zinc/73/94/98/419739498.db2.gz NVUYAOZOAWGLQH-QCNOEVLYSA-N 2 0 253.346 -0.426 20 0 CBADRP O=C([C@@H]1C[NH2+]CCOC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000648124108 419740300 /nfs/dbraw/zinc/74/03/00/419740300.db2.gz QZGUJBNRQLIALT-UTUOFQBUSA-N 2 0 253.346 -0.567 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662827741 419740481 /nfs/dbraw/zinc/74/04/81/419740481.db2.gz OGUYKKBIMQOPMM-XYPYZODXSA-N 2 0 255.362 -0.049 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000648123009 419740734 /nfs/dbraw/zinc/74/07/34/419740734.db2.gz GYQZFRDYOFAVAS-MDZLAQPJSA-N 2 0 282.388 -0.704 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)CC(C)(C)[NH3+] ZINC000662844544 419742663 /nfs/dbraw/zinc/74/26/63/419742663.db2.gz DEXSOVRYEIMBEC-JTQLQIEISA-N 2 0 258.366 -0.718 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000648128721 419743531 /nfs/dbraw/zinc/74/35/31/419743531.db2.gz LWQRHYVBWGORRH-SCVCMEIPSA-N 2 0 270.377 -0.657 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000662845803 419744371 /nfs/dbraw/zinc/74/43/71/419744371.db2.gz WXTHOIBADGSZGY-LLVKDONJSA-N 2 0 284.404 -0.408 20 0 CBADRP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)C1(O)C[NH2+]C1 ZINC000662878382 419760596 /nfs/dbraw/zinc/76/05/96/419760596.db2.gz RVLMQJAFEJEFKM-NSHDSACASA-N 2 0 267.373 -0.156 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]([NH3+])CC(F)F ZINC000662872541 419760832 /nfs/dbraw/zinc/76/08/32/419760832.db2.gz CBQDFMBAJOJHDC-SECBINFHSA-N 2 0 294.346 -0.553 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1(O)C[NH2+]C1 ZINC000662878381 419761299 /nfs/dbraw/zinc/76/12/99/419761299.db2.gz RVLMQJAFEJEFKM-LLVKDONJSA-N 2 0 267.373 -0.156 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000662886360 419764750 /nfs/dbraw/zinc/76/47/50/419764750.db2.gz FJWHGXPICSAFDY-JHJVBQTASA-N 2 0 269.389 -0.054 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CCCO1 ZINC000648177565 419769161 /nfs/dbraw/zinc/76/91/61/419769161.db2.gz HNIIKUBYDJIUAY-ZJUUUORDSA-N 2 0 277.315 -0.193 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000662906369 419769154 /nfs/dbraw/zinc/76/91/54/419769154.db2.gz IYBLOSGWAOPJHW-NWDGAFQWSA-N 2 0 254.378 -0.510 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648185935 419769415 /nfs/dbraw/zinc/76/94/15/419769415.db2.gz JNZJKQLZUHBHSQ-NWDGAFQWSA-N 2 0 294.399 -0.355 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000662907396 419769873 /nfs/dbraw/zinc/76/98/73/419769873.db2.gz UNYXBKAVLXRRRC-KBPBESRZSA-N 2 0 296.415 -0.739 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H]1c1cccc(F)c1 ZINC000648177997 419771124 /nfs/dbraw/zinc/77/11/24/419771124.db2.gz HJURPADZONMZCK-IGQOVBAYSA-N 2 0 293.342 -0.198 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000648190145 419771154 /nfs/dbraw/zinc/77/11/54/419771154.db2.gz BUNDIYUBPFUUSE-GARJFASQSA-N 2 0 270.377 -0.513 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C12CCCC2)[C@H]1C[NH2+]CCO1 ZINC000648205557 419773548 /nfs/dbraw/zinc/77/35/48/419773548.db2.gz IYIQTYNUSBVEQH-MNOVXSKESA-N 2 0 253.346 -0.234 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000662927148 419777320 /nfs/dbraw/zinc/77/73/20/419777320.db2.gz UINUIHYIMUDDFP-CHWSQXEVSA-N 2 0 298.431 -0.114 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NCC23CC(C2)C[NH2+]3)CC1=O ZINC000662922604 419778410 /nfs/dbraw/zinc/77/84/10/419778410.db2.gz LMXLCHLFNXMMIR-MQYJIDSJSA-N 2 0 294.399 -0.735 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000662927560 419779445 /nfs/dbraw/zinc/77/94/45/419779445.db2.gz AEIBLTPJZDXPLP-LLVKDONJSA-N 2 0 270.377 -0.654 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662930683 419782298 /nfs/dbraw/zinc/78/22/98/419782298.db2.gz UXYIQUMKNYKIHK-UHFFFAOYSA-N 2 0 298.431 -0.018 20 0 CBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCC[NH3+])[C@H](C)C1 ZINC000662937012 419784010 /nfs/dbraw/zinc/78/40/10/419784010.db2.gz DPSCKWQXICWPMY-CHWSQXEVSA-N 2 0 298.431 -0.018 20 0 CBADRP C[C@H]1[NH2+]CCN(C(=O)c2cn(CC[NH3+])nn2)[C@H]1C ZINC000662776343 419716409 /nfs/dbraw/zinc/71/64/09/419716409.db2.gz WZVXTMIAHOXTDL-BDAKNGLRSA-N 2 0 252.322 -0.941 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000662777286 419716607 /nfs/dbraw/zinc/71/66/07/419716607.db2.gz AGBZEVIKKLIIEJ-CHWSQXEVSA-N 2 0 280.416 -0.119 20 0 CBADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)C1(O)C[NH2+]C1 ZINC000662776433 419717945 /nfs/dbraw/zinc/71/79/45/419717945.db2.gz LTGJXNCUIVCAGL-UHFFFAOYSA-N 2 0 265.288 -0.256 20 0 CBADRP CC1(C)CC[NH2+][C@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000662782959 419718964 /nfs/dbraw/zinc/71/89/64/419718964.db2.gz BVGANMWOZBKQRT-MNOVXSKESA-N 2 0 255.362 -0.131 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000662782962 419719746 /nfs/dbraw/zinc/71/97/46/419719746.db2.gz BVGANMWOZBKQRT-WDEREUQCSA-N 2 0 255.362 -0.131 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662777924 419720258 /nfs/dbraw/zinc/72/02/58/419720258.db2.gz IZPKZCAEHRKDNX-MBNYWOFBSA-N 2 0 267.373 -0.048 20 0 CBADRP O=C(N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)C1(O)C[NH2+]C1 ZINC000662783983 419723625 /nfs/dbraw/zinc/72/36/25/419723625.db2.gz OEEPSMCJHBWZFF-NEPJUHHUSA-N 2 0 267.373 -0.441 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CCO1 ZINC000662974079 419800402 /nfs/dbraw/zinc/80/04/02/419800402.db2.gz ZVSPPUGZONPQAL-HZSPNIEDSA-N 2 0 299.415 -0.081 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662973493 419800772 /nfs/dbraw/zinc/80/07/72/419800772.db2.gz QXCBYVWNAHPHDA-CHWSQXEVSA-N 2 0 287.404 -0.081 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CCO1 ZINC000662974081 419801074 /nfs/dbraw/zinc/80/10/74/419801074.db2.gz ZVSPPUGZONPQAL-MGPQQGTHSA-N 2 0 299.415 -0.081 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)COC2(C)C[NH2+]C2)CCO1 ZINC000662972984 419801319 /nfs/dbraw/zinc/80/13/19/419801319.db2.gz NMSAFKJNOBEJKR-CYBMUJFWSA-N 2 0 299.415 -0.066 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@]2(C)CC[NH2+]C2)CC1=O ZINC000663010186 419809285 /nfs/dbraw/zinc/80/92/85/419809285.db2.gz IMAVVYVMNXYXPV-SMDDNHRTSA-N 2 0 282.388 -0.735 20 0 CBADRP CN(CCC[NH3+])C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000649273049 419858418 /nfs/dbraw/zinc/85/84/18/419858418.db2.gz BDTJATRVVHBCRO-NSHDSACASA-N 2 0 270.377 -0.796 20 0 CBADRP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCOC2(C[NH2+]C2)C1 ZINC000663217027 419827145 /nfs/dbraw/zinc/82/71/45/419827145.db2.gz AIRIAWHGARGPBB-AAEUAGOBSA-N 2 0 265.357 -0.423 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1cc[nH]n1 ZINC000531357991 544603033 /nfs/dbraw/zinc/60/30/33/544603033.db2.gz SJFGLNLCGIJGFT-UHFFFAOYSA-N 2 0 267.377 -0.096 20 0 CBADRP CC[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)[NH+](C)C ZINC000649074897 419836510 /nfs/dbraw/zinc/83/65/10/419836510.db2.gz ROBASQRIJACWGX-RYUDHWBXSA-N 2 0 284.404 -0.095 20 0 CBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663492416 419841202 /nfs/dbraw/zinc/84/12/02/419841202.db2.gz STLJTGAXDPGEJH-WDEREUQCSA-N 2 0 253.346 -0.425 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1O ZINC000663681309 419854339 /nfs/dbraw/zinc/85/43/39/419854339.db2.gz JRIKHPRROZJRSY-MQYQWHSLSA-N 2 0 296.415 -0.071 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000649274845 419856609 /nfs/dbraw/zinc/85/66/09/419856609.db2.gz XEEKQLKHMWCLBI-OLZOCXBDSA-N 2 0 284.404 -0.802 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000649271295 419857384 /nfs/dbraw/zinc/85/73/84/419857384.db2.gz DYXSSSSIZSIFED-UHFFFAOYSA-N 2 0 256.394 -0.310 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000662964945 419795213 /nfs/dbraw/zinc/79/52/13/419795213.db2.gz JQKTYCBMZHNCBA-ZJUUUORDSA-N 2 0 266.349 -0.632 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000662966278 419795291 /nfs/dbraw/zinc/79/52/91/419795291.db2.gz WQGVCEGQTLFUSB-IUCAKERBSA-N 2 0 251.334 -0.176 20 0 CBADRP C[C@@H](C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[NH+](C)C ZINC000649270076 419857976 /nfs/dbraw/zinc/85/79/76/419857976.db2.gz VFNHHPXFJMNPRK-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)CC[N@@H+]1C ZINC000648731329 419797145 /nfs/dbraw/zinc/79/71/45/419797145.db2.gz PVGFTBWQRCFEKA-CHWSQXEVSA-N 2 0 296.415 -0.441 20 0 CBADRP C[NH+](C)CCC[C@H]1CN(C(=O)COCC[NH3+])CCO1 ZINC000662972788 419797138 /nfs/dbraw/zinc/79/71/38/419797138.db2.gz MDSXLGQKERUHSV-LBPRGKRZSA-N 2 0 273.377 -0.469 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000355276254 419865650 /nfs/dbraw/zinc/86/56/50/419865650.db2.gz UDSFZJRYVCMYGN-LLVKDONJSA-N 2 0 272.393 -0.537 20 0 CBADRP C[C@H]1C[NH+](CCCCNC(=O)COCC[NH3+])C[C@H](C)O1 ZINC000649302424 419871475 /nfs/dbraw/zinc/87/14/75/419871475.db2.gz OFZQXCNVLAQPFU-STQMWFEESA-N 2 0 287.404 -0.033 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649304885 419871827 /nfs/dbraw/zinc/87/18/27/419871827.db2.gz LAEMRYRYVNLENB-ITGUQSILSA-N 2 0 267.373 -0.321 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649313154 419877396 /nfs/dbraw/zinc/87/73/96/419877396.db2.gz DYFWNRYLEZNBPT-LPWJVIDDSA-N 2 0 294.399 -0.560 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)n1 ZINC000649313185 419877472 /nfs/dbraw/zinc/87/74/72/419877472.db2.gz HLNOSVCNOJREEO-MXWKQRLJSA-N 2 0 263.345 0.134 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)COC1(C)C[NH2+]C1 ZINC000649318773 419880111 /nfs/dbraw/zinc/88/01/11/419880111.db2.gz KNZLUQAQDSMGGF-LBPRGKRZSA-N 2 0 285.388 -0.408 20 0 CBADRP CCN(C(=O)NC[C@H]1C[NH+](C)CCN1C)[C@@H]1CC[N@H+](C)C1 ZINC000664082232 419880740 /nfs/dbraw/zinc/88/07/40/419880740.db2.gz AFOBDJWCPVODPX-KGLIPLIRSA-N 2 0 297.447 -0.032 20 0 CBADRP CC1(OCC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C[NH2+]C1 ZINC000649320896 419883940 /nfs/dbraw/zinc/88/39/40/419883940.db2.gz DJLSINHCRVQGBY-STQMWFEESA-N 2 0 297.399 -0.578 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649323567 419887472 /nfs/dbraw/zinc/88/74/72/419887472.db2.gz CRTRZUWDAFHRJP-KKOKHZNYSA-N 2 0 253.346 -0.426 20 0 CBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)CC1 ZINC000649334114 419894602 /nfs/dbraw/zinc/89/46/02/419894602.db2.gz KXOKPDMZWHAFNB-RZFFKMDDSA-N 2 0 292.427 -0.264 20 0 CBADRP CC1(OCC(=O)N2CC[NH+](C3CCOCC3)CC2)C[NH2+]C1 ZINC000649339583 419895388 /nfs/dbraw/zinc/89/53/88/419895388.db2.gz MBXRUWJFWGTRQY-UHFFFAOYSA-N 2 0 297.399 -0.312 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649340088 419895494 /nfs/dbraw/zinc/89/54/94/419895494.db2.gz AIYQBPCKRVZBIG-GDNZZTSVSA-N 2 0 255.362 -0.464 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649280790 419861152 /nfs/dbraw/zinc/86/11/52/419861152.db2.gz LUWHDKAIUAXDEC-IGQOVBAYSA-N 2 0 281.400 -0.075 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000666923991 544649600 /nfs/dbraw/zinc/64/96/00/544649600.db2.gz WJUDCGLLQYRVDM-OCCSQVGLSA-N 2 0 284.404 -0.164 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000358518452 419899104 /nfs/dbraw/zinc/89/91/04/419899104.db2.gz KBULISDRPVIWPN-LLVKDONJSA-N 2 0 272.393 -0.308 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000649348785 419899728 /nfs/dbraw/zinc/89/97/28/419899728.db2.gz UXUNGFSHQRYPKX-JQWIXIFHSA-N 2 0 267.373 -0.036 20 0 CBADRP C[NH+]1CCN(CCNC(=O)CC2(C[NH3+])CC2)CC1 ZINC000649350111 419900018 /nfs/dbraw/zinc/90/00/18/419900018.db2.gz FMEUZRAFICUBQL-UHFFFAOYSA-N 2 0 254.378 -0.521 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C[NH+]1CCN(C)CC1 ZINC000649351415 419902955 /nfs/dbraw/zinc/90/29/55/419902955.db2.gz VXLZXDSCYFGDKO-IGQOVBAYSA-N 2 0 280.416 -0.549 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000664407376 419903450 /nfs/dbraw/zinc/90/34/50/419903450.db2.gz WWWNXLMGHGDXQE-ZZVYKPCYSA-N 2 0 296.415 -0.215 20 0 CBADRP C(CN1CCOCC1)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000649419575 419910183 /nfs/dbraw/zinc/91/01/83/419910183.db2.gz WLNVLIVKJZXJHQ-HNNXBMFYSA-N 2 0 282.432 -0.312 20 0 CBADRP C[N@H+](CCCN1CCOCC1)CCN1CC[NH2+]CC1 ZINC000649409633 419910738 /nfs/dbraw/zinc/91/07/38/419910738.db2.gz GIXWZQXNXUFWCB-UHFFFAOYSA-N 2 0 270.421 -0.454 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ncc[nH]1 ZINC000668303946 544691437 /nfs/dbraw/zinc/69/14/37/544691437.db2.gz YTTGSONYDJMLHU-UHFFFAOYSA-N 2 0 253.350 -0.025 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@@H]1CC(=O)N1 ZINC000668666880 544714730 /nfs/dbraw/zinc/71/47/30/544714730.db2.gz OOGBTUHSPMKCDH-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)C2([NH+](C)C)CC2)CC1 ZINC000668676201 544714967 /nfs/dbraw/zinc/71/49/67/544714967.db2.gz NLGYAXWSKPZDTC-UHFFFAOYSA-N 2 0 268.405 -0.166 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669452006 544749231 /nfs/dbraw/zinc/74/92/31/544749231.db2.gz NSHMUDYZHVKHDK-QWHCGFSZSA-N 2 0 284.404 -0.042 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000669403220 544749693 /nfs/dbraw/zinc/74/96/93/544749693.db2.gz OZAHQYUSQNQPEQ-GRYCIOLGSA-N 2 0 252.362 -0.059 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)[NH3+] ZINC000669473250 544750311 /nfs/dbraw/zinc/75/03/11/544750311.db2.gz ZHEZNXVQDQJWFG-QWRGUYRKSA-N 2 0 258.366 -0.256 20 0 CBADRP C[C@H](C(=O)NCCC[NH+](C)C)N1CCN(C)CC1 ZINC000358805457 419921840 /nfs/dbraw/zinc/92/18/40/419921840.db2.gz XBQRBVXOQVWVBH-GFCCVEGCSA-N 2 0 256.394 -0.310 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)NCC[NH2+]C2CC2)C1 ZINC000669491558 544751009 /nfs/dbraw/zinc/75/10/09/544751009.db2.gz ZXUSXOQNMWSGNT-LBPRGKRZSA-N 2 0 270.377 -0.242 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCC[N@H+](C)C2CC2)CCO1 ZINC000669477829 544751239 /nfs/dbraw/zinc/75/12/39/544751239.db2.gz JJUHUQNKOHUPSE-JQWIXIFHSA-N 2 0 270.377 -0.162 20 0 CBADRP 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ZINC000671820986 544836126 /nfs/dbraw/zinc/83/61/26/544836126.db2.gz XSMFTIVSBHJKFB-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000665255392 419937573 /nfs/dbraw/zinc/93/75/73/419937573.db2.gz RAXPFAQDKINPSL-RNJOBUHISA-N 2 0 284.404 -0.357 20 0 CBADRP COC[C@@H](CCC[NH3+])[NH2+]CCCN(C)S(C)(=O)=O ZINC000665230246 419937645 /nfs/dbraw/zinc/93/76/45/419937645.db2.gz LSGMLOOAZFAPEG-LLVKDONJSA-N 2 0 281.422 -0.389 20 0 CBADRP C[C@H](NCc1nc(C[NH3+])cc(=O)[nH]1)[C@H]1CCC[NH2+]1 ZINC000665294845 419937720 /nfs/dbraw/zinc/93/77/20/419937720.db2.gz XMSPOAAXFZSEDR-WCBMZHEXSA-N 2 0 251.334 -0.129 20 0 CBADRP CN(CCC[NH2+][C@H]1CCC[C@H]1C[NH3+])S(C)(=O)=O ZINC000665230991 419938706 /nfs/dbraw/zinc/93/87/06/419938706.db2.gz ZVPYGCBQMDKENE-QWRGUYRKSA-N 2 0 263.407 -0.015 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CN[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000665295021 419938727 /nfs/dbraw/zinc/93/87/27/419938727.db2.gz ZRNZEDWNKYYWBZ-WPRPVWTQSA-N 2 0 251.334 -0.142 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000359227166 419951169 /nfs/dbraw/zinc/95/11/69/419951169.db2.gz VHWSSFRCROPDMA-WCQYABFASA-N 2 0 284.404 -0.314 20 0 CBADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)C[NH+](C)C)C2 ZINC000672262298 544844260 /nfs/dbraw/zinc/84/42/60/544844260.db2.gz KCROMRCWRBZUST-YHWZYXNKSA-N 2 0 296.415 -0.252 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@](C)(O)CN1CCOCC1 ZINC000359807062 419989774 /nfs/dbraw/zinc/98/97/74/419989774.db2.gz RGQIBRSDACEUKU-CQSZACIVSA-N 2 0 287.404 -0.472 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)N1CC[NH+](C)CC1 ZINC000360225920 420011935 /nfs/dbraw/zinc/01/19/35/420011935.db2.gz SZPRYMOXAXPWNT-OLZOCXBDSA-N 2 0 284.404 -0.931 20 0 CBADRP CCN1CCO[C@H](C(=O)NC[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000360223928 420011969 /nfs/dbraw/zinc/01/19/69/420011969.db2.gz CTTYVLOERNKSRD-KBPBESRZSA-N 2 0 298.431 -0.541 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)N1CC[NH+](C)CC1 ZINC000360225922 420012083 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[NH3+]C[C@]12CCC[C@H]1CN(C(=O)NC[C@H]1C[NH2+]CCO1)C2 ZINC000652223888 420053308 /nfs/dbraw/zinc/05/33/08/420053308.db2.gz OUUMBDVWAMLZCQ-SCRDCRAPSA-N 2 0 282.388 -0.255 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652238608 420053788 /nfs/dbraw/zinc/05/37/88/420053788.db2.gz OCQAEDAEQALUDK-GFCCVEGCSA-N 2 0 272.393 -0.273 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)NCCC2(C[NH3+])CC2)CCO1 ZINC000652231765 420053846 /nfs/dbraw/zinc/05/38/46/420053846.db2.gz FMSCOQAYSDPKJL-SNVBAGLBSA-N 2 0 256.350 -0.516 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCCC2(C[NH3+])CC2)CCO1 ZINC000652232015 420053910 /nfs/dbraw/zinc/05/39/10/420053910.db2.gz OBONMMFYKUQGFG-QWRGUYRKSA-N 2 0 270.377 -0.127 20 0 CBADRP [NH3+]C[C@@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C1CCCCC1 ZINC000365160673 420055606 /nfs/dbraw/zinc/05/56/06/420055606.db2.gz ZCNNIUOFDBKSBG-IJLUTSLNSA-N 2 0 255.362 -0.267 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000652336924 420057455 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/nfs/dbraw/zinc/86/28/17/544862817.db2.gz MHPWGCCYCJLWBC-LBPRGKRZSA-N 2 0 284.404 -0.441 20 0 CBADRP CC(C)CN(CC(N)=O)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653071438 420112655 /nfs/dbraw/zinc/11/26/55/420112655.db2.gz HUCFWISPGVZFAI-JTQLQIEISA-N 2 0 258.366 -0.765 20 0 CBADRP CCN(CC(=O)N(C)C)C(=O)[C@H](N)CC[NH+](C)C ZINC000653068581 420113446 /nfs/dbraw/zinc/11/34/46/420113446.db2.gz JHMMDQFSUAEXKN-SNVBAGLBSA-N 2 0 258.366 -0.798 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653110386 420116136 /nfs/dbraw/zinc/11/61/36/420116136.db2.gz GQMJODHPDIPOPW-GVXVVHGQSA-N 2 0 253.346 -0.710 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000653111457 420116429 /nfs/dbraw/zinc/11/64/29/420116429.db2.gz OTVAQFCZXRHSKY-ZDUSSCGKSA-N 2 0 268.405 -0.180 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653110427 420116627 /nfs/dbraw/zinc/11/66/27/420116627.db2.gz IJZJZSFNFBWFBL-XFMPKHEZSA-N 2 0 279.384 -0.035 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000653112614 420117172 /nfs/dbraw/zinc/11/71/72/420117172.db2.gz DEDAAPZDFMJJSX-PWSUYJOCSA-N 2 0 254.378 -0.382 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C[N@@H+]1C1CC1 ZINC000653123749 420118808 /nfs/dbraw/zinc/11/88/08/420118808.db2.gz GAVLWSYINNVWLP-OHTBPHCPSA-N 2 0 279.384 -0.036 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653123668 420119146 /nfs/dbraw/zinc/11/91/46/420119146.db2.gz DASQMPGYHLQMAI-MEDZGJRSSA-N 2 0 279.384 -0.179 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653133721 420121598 /nfs/dbraw/zinc/12/15/98/420121598.db2.gz XJGKGMLILOIJDD-NOHGZBONSA-N 2 0 253.346 -0.392 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653134071 420121708 /nfs/dbraw/zinc/12/17/08/420121708.db2.gz LOXMOOZKPWMYAV-BLFANLJRSA-N 2 0 253.346 -0.663 20 0 CBADRP CC(C)[C@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)CC[NH2+]1 ZINC000653132830 420121720 /nfs/dbraw/zinc/12/17/20/420121720.db2.gz DDCJFYQJAQSGLV-VXGBXAGGSA-N 2 0 256.394 -0.278 20 0 CBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653134074 420121752 /nfs/dbraw/zinc/12/17/52/420121752.db2.gz LOXMOOZKPWMYAV-ZPFDUUQYSA-N 2 0 253.346 -0.663 20 0 CBADRP C[C@H](CCCC[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653141929 420121971 /nfs/dbraw/zinc/12/19/71/420121971.db2.gz RIIUHLSXWIKVQM-MDZLAQPJSA-N 2 0 255.362 -0.144 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000653133759 420122058 /nfs/dbraw/zinc/12/20/58/420122058.db2.gz ZPGIDUVYLGZYEI-TUAOUCFPSA-N 2 0 254.378 -0.382 20 0 CBADRP COCC1(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[NH2+]CC1 ZINC000653138720 420122077 /nfs/dbraw/zinc/12/20/77/420122077.db2.gz HQUUSUKDEZAFDS-WFASDCNBSA-N 2 0 297.399 -0.645 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653135448 420122089 /nfs/dbraw/zinc/12/20/89/420122089.db2.gz FAKYAWILTIXTLS-ZPFDUUQYSA-N 2 0 253.346 -0.521 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CC[NH+]2CCC1CC2 ZINC000653151171 420123373 /nfs/dbraw/zinc/12/33/73/420123373.db2.gz ZGICGJGQFCDMOL-GFCCVEGCSA-N 2 0 254.378 -0.428 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000653147650 420123596 /nfs/dbraw/zinc/12/35/96/420123596.db2.gz YHHZGLWXYKOIKU-SDDRHHMPSA-N 2 0 254.378 -0.524 20 0 CBADRP C[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C[C@@H]1C[NH3+] ZINC000653163169 420124563 /nfs/dbraw/zinc/12/45/63/420124563.db2.gz KENFEALNRMQORY-MNXVOIDGSA-N 2 0 267.373 -0.334 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000653180267 420126755 /nfs/dbraw/zinc/12/67/55/420126755.db2.gz YSUYEUXHHVYJJY-RTXFEEFZSA-N 2 0 267.373 -0.036 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653194802 420127823 /nfs/dbraw/zinc/12/78/23/420127823.db2.gz YKBDYVHPUYLLMT-WHOFXGATSA-N 2 0 296.415 -0.327 20 0 CBADRP CCO[C@@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000653243979 420129917 /nfs/dbraw/zinc/12/99/17/420129917.db2.gz SYANJGOGBMGUGU-VXGBXAGGSA-N 2 0 255.362 -0.192 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H]2C)C[C@H]1C[NH3+] ZINC000653247950 420129962 /nfs/dbraw/zinc/12/99/62/420129962.db2.gz YXMPGTMMZADIJO-WISYIIOYSA-N 2 0 255.362 -0.193 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@H]2[NH2+]CC2(C)C)C[C@H]1C[NH3+] ZINC000653247593 420130055 /nfs/dbraw/zinc/13/00/55/420130055.db2.gz JMZJBOHQMHGBPP-GMTAPVOTSA-N 2 0 255.362 -0.193 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@]2(C)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000653244072 420130244 /nfs/dbraw/zinc/13/02/44/420130244.db2.gz WWMIPXYZBONAKX-NQBHXWOUSA-N 2 0 255.362 -0.192 20 0 CBADRP C[C@@H]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@@H]1CC[NH3+] ZINC000653240406 420130434 /nfs/dbraw/zinc/13/04/34/420130434.db2.gz NLUBDUXGKZDSOI-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368372607 420130632 /nfs/dbraw/zinc/13/06/32/420130632.db2.gz AEUBHBZUDAJNCN-HBNTYKKESA-N 2 0 255.387 -0.098 20 0 CBADRP C[C@H](O)C[NH2+][C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000653283258 420136231 /nfs/dbraw/zinc/13/62/31/420136231.db2.gz WQWYOMIOAFUJOJ-VHSXEESVSA-N 2 0 257.334 -0.964 20 0 CBADRP C[C@@H]1CCCN(C(=O)C[C@H]2COCC[NH2+]2)[C@@H]1C[NH3+] ZINC000368596333 420137568 /nfs/dbraw/zinc/13/75/68/420137568.db2.gz CRENKKYBQCLZTO-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2CC(F)(F)CN2)n1 ZINC000368632700 420139300 /nfs/dbraw/zinc/13/93/00/420139300.db2.gz OGUQJZRBEDXPAC-VIFPVBQESA-N 2 0 287.314 0.380 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NCCNc1cc[nH+]cc1 ZINC000653346097 420140739 /nfs/dbraw/zinc/14/07/39/420140739.db2.gz ILOFVHSOFWYBGY-LBPRGKRZSA-N 2 0 265.361 -0.689 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)NC[C@@H]2C[NH2+]CCO2)cn1 ZINC000652612175 420070927 /nfs/dbraw/zinc/07/09/27/420070927.db2.gz KPFSFWHANIDOSK-LBPRGKRZSA-N 2 0 296.375 -0.445 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652677354 420071195 /nfs/dbraw/zinc/07/11/95/420071195.db2.gz ZARUHIWERKAHCL-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652697184 420073550 /nfs/dbraw/zinc/07/35/50/420073550.db2.gz YMZMCKCLHYQXHQ-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000652706293 420075380 /nfs/dbraw/zinc/07/53/80/420075380.db2.gz ZQGWNQURGGEXPZ-GFCCVEGCSA-N 2 0 286.420 -0.114 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000652701848 420075604 /nfs/dbraw/zinc/07/56/04/420075604.db2.gz KHMWHJIDWCXBLS-UHFFFAOYSA-N 2 0 296.415 -0.072 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCCC[N@H+](C)CC(C)C)C1 ZINC000652706098 420076291 /nfs/dbraw/zinc/07/62/91/420076291.db2.gz VIFFBTINNVJELQ-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652714184 420077650 /nfs/dbraw/zinc/07/76/50/420077650.db2.gz FRADQPUBNCXRBH-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652714392 420077657 /nfs/dbraw/zinc/07/76/57/420077657.db2.gz JZDDRXZNNLVCJK-NSHDSACASA-N 2 0 282.388 -0.558 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000652731339 420079218 /nfs/dbraw/zinc/07/92/18/420079218.db2.gz IHDKZSCCTBMMBS-UHFFFAOYSA-N 2 0 296.415 -0.120 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000652731963 420080291 /nfs/dbraw/zinc/08/02/91/420080291.db2.gz ZREGATXOEMUXRV-ZDUSSCGKSA-N 2 0 296.415 -0.120 20 0 CBADRP C[NH2+]CC(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000366349011 420082415 /nfs/dbraw/zinc/08/24/15/420082415.db2.gz UFVXZHUMBWSKAS-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)[C@@H]1C[NH2+]CCO1 ZINC000366347460 420083117 /nfs/dbraw/zinc/08/31/17/420083117.db2.gz OKGHVMDJEDLBJJ-MJBXVCDLSA-N 2 0 297.399 -0.408 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000366344226 420083386 /nfs/dbraw/zinc/08/33/86/420083386.db2.gz FIWVNCSLCGALKI-ZIAGYGMSSA-N 2 0 299.415 -0.161 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000366347060 420083692 /nfs/dbraw/zinc/08/36/92/420083692.db2.gz MXZLSPYWQIYURL-RYUDHWBXSA-N 2 0 255.362 -0.048 20 0 CBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1(C)C ZINC000366557441 420089424 /nfs/dbraw/zinc/08/94/24/420089424.db2.gz SHEPWRQQNLOLIT-TUYISWAISA-N 2 0 267.373 -0.147 20 0 CBADRP C[NH+](C)CC(C)(C)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000654657292 420189941 /nfs/dbraw/zinc/18/99/41/420189941.db2.gz IICOAFDSFIACOU-GFCCVEGCSA-N 2 0 268.405 -0.167 20 0 CBADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C3C[NH2+]C3)C2)CC1 ZINC000378639858 420197059 /nfs/dbraw/zinc/19/70/59/420197059.db2.gz HCPHIIATNHZZHT-AWEZNQCLSA-N 2 0 280.416 -0.167 20 0 CBADRP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@H]1C[NH+]2CCC1CC2 ZINC000386430837 420203466 /nfs/dbraw/zinc/20/34/66/420203466.db2.gz ANEHASLWTYAZDF-NWDGAFQWSA-N 2 0 253.346 -0.473 20 0 CBADRP C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000389417433 420204570 /nfs/dbraw/zinc/20/45/70/420204570.db2.gz MTJIEVINRHDFBK-IJLUTSLNSA-N 2 0 291.417 -0.671 20 0 CBADRP CN(C(=O)C[C@H]1COCC[NH2+]1)[C@H]1C[NH+]2CCC1CC2 ZINC000388624665 420204827 /nfs/dbraw/zinc/20/48/27/420204827.db2.gz ULPIALUWSQVXML-STQMWFEESA-N 2 0 267.373 -0.083 20 0 CBADRP CC[NH+](CC)CCCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000388375624 420205388 /nfs/dbraw/zinc/20/53/88/420205388.db2.gz MKZYJDQCMLJFFD-LBPRGKRZSA-N 2 0 293.433 -0.374 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000389716217 420205799 /nfs/dbraw/zinc/20/57/99/420205799.db2.gz JEMQJTMDWCESNO-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP [NH3+]CCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000394668988 420211106 /nfs/dbraw/zinc/21/11/06/420211106.db2.gz PAPJPNRHPHHQBL-LLVKDONJSA-N 2 0 268.361 -0.852 20 0 CBADRP [NH2+]=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCOCC1 ZINC000369018280 420148558 /nfs/dbraw/zinc/14/85/58/420148558.db2.gz WXFRUCXNSUGBBS-RYUDHWBXSA-N 2 0 268.361 -0.294 20 0 CBADRP CC(C)[NH2+]CCN1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000369134840 420151958 /nfs/dbraw/zinc/15/19/58/420151958.db2.gz QEEPQWMSRIVUFX-HNNXBMFYSA-N 2 0 284.448 -0.067 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000369172888 420153579 /nfs/dbraw/zinc/15/35/79/420153579.db2.gz CRKCXXFMEWMASQ-UKRRQHHQSA-N 2 0 280.416 -0.260 20 0 CBADRP CCN1CCO[C@@H](C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000369680572 420163431 /nfs/dbraw/zinc/16/34/31/420163431.db2.gz UKJUGWHDRBAVCM-GFCCVEGCSA-N 2 0 295.387 0.104 20 0 CBADRP CC[N@H+](CCNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000654420276 420177426 /nfs/dbraw/zinc/17/74/26/420177426.db2.gz XPFZEGPMVDHZEA-UONOGXRCSA-N 2 0 296.415 -0.069 20 0 CBADRP CN(C)S(=O)(=O)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400982837 420222721 /nfs/dbraw/zinc/22/27/21/420222721.db2.gz UZZSTJYAESHPFY-SDDRHHMPSA-N 2 0 275.418 -0.145 20 0 CBADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400235308 420223099 /nfs/dbraw/zinc/22/30/99/420223099.db2.gz USDDLAYPBPXAIQ-MNOVXSKESA-N 2 0 279.406 -0.636 20 0 CBADRP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000404977118 420226630 /nfs/dbraw/zinc/22/66/30/420226630.db2.gz ZYBOQDABZQLGIS-NEPJUHHUSA-N 2 0 255.362 -0.083 20 0 CBADRP CC(C)[C@H](C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)C ZINC000655296543 420241408 /nfs/dbraw/zinc/24/14/08/420241408.db2.gz PACUAGYEDTUZSQ-YNEHKIRRSA-N 2 0 269.389 -0.150 20 0 CBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000418389550 420241567 /nfs/dbraw/zinc/24/15/67/420241567.db2.gz UAONRLSJQSDPOL-STQMWFEESA-N 2 0 284.404 -0.260 20 0 CBADRP CC[NH2+]CCNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000418319556 420242094 /nfs/dbraw/zinc/24/20/94/420242094.db2.gz BVTJQMSTDYRHPO-NWDGAFQWSA-N 2 0 272.393 -0.308 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419103008 420243535 /nfs/dbraw/zinc/24/35/35/420243535.db2.gz LKFOQLDKJSHOTC-NSHDSACASA-N 2 0 270.377 -0.704 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCCC[NH3+] ZINC000418949202 420243768 /nfs/dbraw/zinc/24/37/68/420243768.db2.gz RKQLUXXOLFKTNK-SNVBAGLBSA-N 2 0 258.366 -0.702 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000419415110 420244868 /nfs/dbraw/zinc/24/48/68/420244868.db2.gz UQTXLHHMLUVXMV-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655412894 420245526 /nfs/dbraw/zinc/24/55/26/420245526.db2.gz BFDZEWKEGBOUTM-GXTWGEPZSA-N 2 0 266.389 -0.603 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419862998 420245683 /nfs/dbraw/zinc/24/56/83/420245683.db2.gz DKQFJGKVXBEIEF-JHJVBQTASA-N 2 0 296.415 -0.027 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N(C)CC[NH2+]C ZINC000419719691 420245773 /nfs/dbraw/zinc/24/57/73/420245773.db2.gz DCJUPRPQZSCUMY-UHFFFAOYSA-N 2 0 258.366 -0.878 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419526953 420245847 /nfs/dbraw/zinc/24/58/47/420245847.db2.gz ULWZHARJWQWGHU-WDEREUQCSA-N 2 0 272.393 -0.362 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419732933 420246525 /nfs/dbraw/zinc/24/65/25/420246525.db2.gz NFFDCZMIJYFGLI-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000419719340 420246644 /nfs/dbraw/zinc/24/66/44/420246644.db2.gz CJNNCAFWTPWJOZ-CMPLNLGQSA-N 2 0 282.388 -0.417 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000419987127 420247453 /nfs/dbraw/zinc/24/74/53/420247453.db2.gz CYJXUGFZEPWYOE-NWDGAFQWSA-N 2 0 284.404 -0.219 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419903779 420247612 /nfs/dbraw/zinc/24/76/12/420247612.db2.gz WXCUZGAQQNSYMT-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000655419213 420248115 /nfs/dbraw/zinc/24/81/15/420248115.db2.gz OPMUIDNGFHSMGT-SRVKXCTJSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419892185 420248286 /nfs/dbraw/zinc/24/82/86/420248286.db2.gz JBNJCHZEVKUFKF-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420058723 420248344 /nfs/dbraw/zinc/24/83/44/420248344.db2.gz OMBBQJGQQBEJME-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CCO1 ZINC000655418639 420248449 /nfs/dbraw/zinc/24/84/49/420248449.db2.gz CMEIULVPBBQQQY-MNXVOIDGSA-N 2 0 267.373 -0.049 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000655448842 420250393 /nfs/dbraw/zinc/25/03/93/420250393.db2.gz ZLFLNIMCUHWQSQ-NWDGAFQWSA-N 2 0 268.405 -0.121 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655464343 420252962 /nfs/dbraw/zinc/25/29/62/420252962.db2.gz FXSNUQDQQOTIRM-SCRDCRAPSA-N 2 0 267.373 -0.129 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000655489653 420254293 /nfs/dbraw/zinc/25/42/93/420254293.db2.gz XYPFGKDHDRUKEC-TUAOUCFPSA-N 2 0 282.388 -0.689 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000423386818 420256167 /nfs/dbraw/zinc/25/61/67/420256167.db2.gz JQUGGGQGOYSQHL-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000423062920 420256283 /nfs/dbraw/zinc/25/62/83/420256283.db2.gz VEVSWPIMAFDIAR-UHFFFAOYSA-N 2 0 296.415 -0.249 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCOC2C[NH2+]C2)C1 ZINC000655488980 420256296 /nfs/dbraw/zinc/25/62/96/420256296.db2.gz KONWRMBFRIXERW-PHIMTYICSA-N 2 0 255.362 -0.179 20 0 CBADRP CCO[C@@H]1CN(C(=O)CC[NH2+]C2CC2)C[C@H]1C[NH3+] ZINC000655485490 420256364 /nfs/dbraw/zinc/25/63/64/420256364.db2.gz FRDSHBLEZYKGFD-ZYHUDNBSSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CCCO1 ZINC000655479067 420256479 /nfs/dbraw/zinc/25/64/79/420256479.db2.gz IVJSMHOGLGNTBH-MBNYWOFBSA-N 2 0 267.373 -0.048 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423727205 420257375 /nfs/dbraw/zinc/25/73/75/420257375.db2.gz QTANVGSASGFHMH-RYUDHWBXSA-N 2 0 282.388 -0.511 20 0 CBADRP [NH3+]C[C@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)C(F)(F)F ZINC000655505287 420259293 /nfs/dbraw/zinc/25/92/93/420259293.db2.gz VHUXIRDZGMNBSD-YUMQZZPRSA-N 2 0 269.267 -0.239 20 0 CBADRP [NH3+]C[C@@H](NC(=O)CN1CCCC[C@@H]([NH3+])C1=O)C(F)(F)F ZINC000655518623 420261945 /nfs/dbraw/zinc/26/19/45/420261945.db2.gz IMXGGKSCRVCNDJ-HTQZYQBOSA-N 2 0 296.293 -0.668 20 0 CBADRP [NH3+]C[C@@H](NC(=O)CCOC1C[NH2+]C1)C(F)(F)F ZINC000655516848 420262516 /nfs/dbraw/zinc/26/25/16/420262516.db2.gz ZVIWWAOSIWRZOO-SSDOTTSWSA-N 2 0 255.240 -0.629 20 0 CBADRP [NH3+]C[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)C(F)(F)F ZINC000655514845 420262570 /nfs/dbraw/zinc/26/25/70/420262570.db2.gz DPAAGHBLIQSFCC-NKWVEPMBSA-N 2 0 255.240 -0.629 20 0 CBADRP COC1(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[NH2+]CC1 ZINC000430873610 420271956 /nfs/dbraw/zinc/27/19/56/420271956.db2.gz VEYGFNJTCQNFBI-UHFFFAOYSA-N 2 0 295.387 0.152 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000430876605 420272061 /nfs/dbraw/zinc/27/20/61/420272061.db2.gz RUSWAEYIDGOWQJ-SNVBAGLBSA-N 2 0 285.417 0.464 20 0 CBADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000430615206 420273023 /nfs/dbraw/zinc/27/30/23/420273023.db2.gz BFUDSADVJACFPT-QWRGUYRKSA-N 2 0 255.362 -0.131 20 0 CBADRP Cn1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)n1 ZINC000433162734 420276373 /nfs/dbraw/zinc/27/63/73/420276373.db2.gz VNGQOJVZMAFINS-UHFFFAOYSA-N 2 0 265.361 0.562 20 0 CBADRP [NH3+]C[C@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C(F)(F)F ZINC000655933085 420282487 /nfs/dbraw/zinc/28/24/87/420282487.db2.gz GGWIPETYPRTDFX-YIZRAAEISA-N 2 0 296.293 -0.664 20 0 CBADRP Cn1cnnc1N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000655947296 420283111 /nfs/dbraw/zinc/28/31/11/420283111.db2.gz QRSDRXNYMDBAKG-GFCCVEGCSA-N 2 0 264.377 -0.063 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000655967779 420285728 /nfs/dbraw/zinc/28/57/28/420285728.db2.gz DLRGZGOUFYCXLR-YYNVLWEHSA-N 2 0 252.362 -0.156 20 0 CBADRP c1c(CN2CC[NH2+]CC2)nnn1[C@@H]1CCC[NH2+]C1 ZINC000656468771 420311662 /nfs/dbraw/zinc/31/16/62/420311662.db2.gz SCMMYIRJVNXQSC-GFCCVEGCSA-N 2 0 250.350 -0.392 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2C[C@@H]3COC[C@]3(C)C2)C1=O ZINC000656477941 420311985 /nfs/dbraw/zinc/31/19/85/420311985.db2.gz ODRYBYAFCNFPMM-XUJVJEKNSA-N 2 0 295.383 -0.356 20 0 CBADRP C[NH+]1CCN(Cc2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000656456680 420312094 /nfs/dbraw/zinc/31/20/94/420312094.db2.gz IQSFNTLPDRSAQZ-UHFFFAOYSA-N 2 0 264.377 -0.050 20 0 CBADRP O=C1NC[C@@H]2C[N@H+](CCC3CC[NH2+]CC3)CCN2C1=O ZINC000516770652 420363076 /nfs/dbraw/zinc/36/30/76/420363076.db2.gz FWPMWCSGJPOCBR-GFCCVEGCSA-N 2 0 280.372 -0.981 20 0 CBADRP C[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)N(C)C ZINC000516761404 420363135 /nfs/dbraw/zinc/36/31/35/420363135.db2.gz DAWMPJFTTQBEHZ-QWHCGFSZSA-N 2 0 258.410 -0.866 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(C[C@H]1C[NH2+]CCO1)C2=O ZINC000656611519 420318381 /nfs/dbraw/zinc/31/83/81/420318381.db2.gz KHIXRLJPIVZXCW-MISXGVKJSA-N 2 0 296.371 -0.586 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673518553 544875164 /nfs/dbraw/zinc/87/51/64/544875164.db2.gz CKBPJZIITTXMSU-QWHCGFSZSA-N 2 0 269.389 -0.004 20 0 CBADRP CN1CC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCC1=O ZINC000656790775 420322135 /nfs/dbraw/zinc/32/21/35/420322135.db2.gz AELMQZWUFPPSFT-LBPRGKRZSA-N 2 0 282.388 -0.652 20 0 CBADRP C[C@@H](Cn1cncn1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000657881522 420363547 /nfs/dbraw/zinc/36/35/47/420363547.db2.gz OTGSQEYUXRKRCP-STQMWFEESA-N 2 0 266.393 -0.108 20 0 CBADRP Cn1ccnc1N1CCN(C[C@@H]2CN(C)C(=O)O2)CC1 ZINC000496995126 420337631 /nfs/dbraw/zinc/33/76/31/420337631.db2.gz PBBWRDHPIKIUQW-NSHDSACASA-N 2 0 279.344 -0.007 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C2(COC)CC[NH2+]CC2)C1 ZINC000516649552 420360793 /nfs/dbraw/zinc/36/07/93/420360793.db2.gz ROFSKGBGMYSRHS-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000516568622 420361447 /nfs/dbraw/zinc/36/14/47/420361447.db2.gz PNUWARXDVPZTSQ-JQWIXIFHSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000516567819 420361670 /nfs/dbraw/zinc/36/16/70/420361670.db2.gz FWQAPLSRJLGXJT-QJPTWQEYSA-N 2 0 253.346 -0.567 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656021606 420292708 /nfs/dbraw/zinc/29/27/08/420292708.db2.gz CYGZRVHKSIRYHT-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000656021634 420293422 /nfs/dbraw/zinc/29/34/22/420293422.db2.gz FGXKZJFHIYCDHP-SDDRHHMPSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656021998 420293676 /nfs/dbraw/zinc/29/36/76/420293676.db2.gz RHBDHGWGYHAGJZ-QJPTWQEYSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656024437 420293788 /nfs/dbraw/zinc/29/37/88/420293788.db2.gz PMKGHIVHDOPNMQ-KKOKHZNYSA-N 2 0 284.404 -0.315 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656022114 420294020 /nfs/dbraw/zinc/29/40/20/420294020.db2.gz BYNNOMFIQOONJA-AGIUHOORSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[C@H]1[NH3+] ZINC000656041994 420294484 /nfs/dbraw/zinc/29/44/84/420294484.db2.gz SSRSROAZESJBRE-WISYIIOYSA-N 2 0 282.388 -0.752 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000656041352 420294591 /nfs/dbraw/zinc/29/45/91/420294591.db2.gz RKTOLQBVGAQBIT-SDDRHHMPSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[C@H](C)[NH2+]1 ZINC000656039517 420295176 /nfs/dbraw/zinc/29/51/76/420295176.db2.gz BUPMQAKCEMKNAS-MPZDIEGVSA-N 2 0 296.415 -0.348 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656028059 420295427 /nfs/dbraw/zinc/29/54/27/420295427.db2.gz IBGQHDGKBNBTEI-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[C@@H]1CN(C[C@](C)(O)C[NH2+]C)CC[N@@H+]1CCOC ZINC000517034841 420370501 /nfs/dbraw/zinc/37/05/01/420370501.db2.gz ABNLJXLBERWQRO-ZIAGYGMSSA-N 2 0 273.421 -0.001 20 0 CBADRP CC[C@H]1CN(C[C@](C)(O)C[NH2+]C)CC[N@@H+]1CCOC ZINC000517034840 420370811 /nfs/dbraw/zinc/37/08/11/420370811.db2.gz ABNLJXLBERWQRO-UONOGXRCSA-N 2 0 273.421 -0.001 20 0 CBADRP COC(=O)C1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000517373230 420375831 /nfs/dbraw/zinc/37/58/31/420375831.db2.gz LFZGBNHSGCFLKW-UHFFFAOYSA-N 2 0 255.362 -0.223 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000517369033 420376883 /nfs/dbraw/zinc/37/68/83/420376883.db2.gz WJSNYJQUBUXAML-ZJUUUORDSA-N 2 0 259.350 -0.291 20 0 CBADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000658529625 420381856 /nfs/dbraw/zinc/38/18/56/420381856.db2.gz DMFDBFZFNPOOSK-CYBMUJFWSA-N 2 0 296.415 -0.441 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000519697659 420385084 /nfs/dbraw/zinc/38/50/84/420385084.db2.gz RPEFTOVFOUMFQN-WDEREUQCSA-N 2 0 272.418 -0.899 20 0 CBADRP Cc1cn(C)nc1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000659055733 420395008 /nfs/dbraw/zinc/39/50/08/420395008.db2.gz IQACAXYBAQPZPD-SNVBAGLBSA-N 2 0 266.349 -0.165 20 0 CBADRP C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[NH+](C)C ZINC000674246206 544898864 /nfs/dbraw/zinc/89/88/64/544898864.db2.gz GJTNZOIVKWWAOR-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](CNC(=O)[C@H](C)[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000674263799 544901355 /nfs/dbraw/zinc/90/13/55/544901355.db2.gz AIIWVSKPJUUJHC-STQMWFEESA-N 2 0 270.421 -0.064 20 0 CBADRP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000516939309 420367411 /nfs/dbraw/zinc/36/74/11/420367411.db2.gz UIDQZQCGPLFMIC-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP CN1CCO[C@@H](C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000676345022 544948765 /nfs/dbraw/zinc/94/87/65/544948765.db2.gz UUCUTBWJPXTIRY-UONOGXRCSA-N 2 0 297.399 -0.314 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)CN2CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000674689004 544912200 /nfs/dbraw/zinc/91/22/00/544912200.db2.gz GNYBQBYYEDICQB-QWHCGFSZSA-N 2 0 280.416 -0.025 20 0 CBADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000677887000 544989752 /nfs/dbraw/zinc/98/97/52/544989752.db2.gz YQHPPPOHHBBJGM-GJZGRUSLSA-N 2 0 292.427 -0.023 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000364032667 287629072 /nfs/dbraw/zinc/62/90/72/287629072.db2.gz DHTYCNFKWXZPHO-LDYMZIIASA-N 2 0 263.345 -0.217 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659449140 420419800 /nfs/dbraw/zinc/41/98/00/420419800.db2.gz SNQMAKAIEQXXDV-GHMZBOCLSA-N 2 0 276.356 -0.355 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659448851 420420430 /nfs/dbraw/zinc/42/04/30/420420430.db2.gz JVNJRVGIUXHBGO-UHFFFAOYSA-N 2 0 260.382 -0.057 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659448929 420420814 /nfs/dbraw/zinc/42/08/14/420420814.db2.gz NOURKEHOSRZZLB-UHFFFAOYSA-N 2 0 270.377 -0.384 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659451525 420421024 /nfs/dbraw/zinc/42/10/24/420421024.db2.gz GGTSEOKMSHLGAX-DNOWBOINSA-N 2 0 295.431 -0.245 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000659461151 420422224 /nfs/dbraw/zinc/42/22/24/420422224.db2.gz XFHRJMXYRRKUNF-CHWSQXEVSA-N 2 0 285.436 -0.223 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000659461152 420422312 /nfs/dbraw/zinc/42/23/12/420422312.db2.gz XFHRJMXYRRKUNF-OLZOCXBDSA-N 2 0 285.436 -0.223 20 0 CBADRP C[C@H]1CCCN(C(=O)c2cn(CC[NH3+])nn2)[C@H]1CC[NH3+] ZINC000659327727 420413339 /nfs/dbraw/zinc/41/33/39/420413339.db2.gz HBBUEWIHDUSCBF-JQWIXIFHSA-N 2 0 280.376 -0.174 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659357991 420414345 /nfs/dbraw/zinc/41/43/45/420414345.db2.gz FFAMLGJXJRKQLQ-WDEREUQCSA-N 2 0 272.393 -0.552 20 0 CBADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[NH2+]CCO1 ZINC000251017833 230190722 /nfs/dbraw/zinc/19/07/22/230190722.db2.gz DNSGQYWHXRDMLB-ZYHUDNBSSA-N 2 0 253.346 -0.425 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CC1(C[NH3+])CC1 ZINC000659359937 420415806 /nfs/dbraw/zinc/41/58/06/420415806.db2.gz XGMUDKFECRZSLC-UHFFFAOYSA-N 2 0 284.404 -0.406 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659359341 420416947 /nfs/dbraw/zinc/41/69/47/420416947.db2.gz QJTBNRPJIOYVKJ-JTQLQIEISA-N 2 0 258.366 -0.940 20 0 CBADRP COC[C@@]1(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000659387452 420417344 /nfs/dbraw/zinc/41/73/44/420417344.db2.gz VOVIBDCYVFZBJN-CKYFFXLPSA-N 2 0 259.325 -0.490 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000677868609 544986472 /nfs/dbraw/zinc/98/64/72/544986472.db2.gz JDGFAUPQIFTGJC-STQMWFEESA-N 2 0 266.389 -0.413 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000681112577 545043803 /nfs/dbraw/zinc/04/38/03/545043803.db2.gz DXMKHGILPDTUCS-GFCCVEGCSA-N 2 0 272.393 -0.306 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339640091 230230529 /nfs/dbraw/zinc/23/05/29/230230529.db2.gz VCRCGCIHSMYLDX-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000659608456 420437106 /nfs/dbraw/zinc/43/71/06/420437106.db2.gz DDKPIUVIICQNFF-VXGBXAGGSA-N 2 0 270.377 -0.160 20 0 CBADRP CN1CCN(C(=O)NCC23CC(C2)C[NH2+]3)[C@H](C[NH3+])C1 ZINC000659612479 420437167 /nfs/dbraw/zinc/43/71/67/420437167.db2.gz VYBQRXPTSNLENW-QWKFWESOSA-N 2 0 267.377 -0.977 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)CC[C@H]1F ZINC000659609861 420437343 /nfs/dbraw/zinc/43/73/43/420437343.db2.gz CUBCPYKSXHBAEJ-WDHPUFTPSA-N 2 0 256.325 -0.181 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CC[C@H]1F ZINC000659506090 420424597 /nfs/dbraw/zinc/42/45/97/420424597.db2.gz LGVOPJQZCJPKIJ-VXGBXAGGSA-N 2 0 287.383 -0.638 20 0 CBADRP C[C@@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)c1nccn1C ZINC000659507875 420425951 /nfs/dbraw/zinc/42/59/51/420425951.db2.gz LNOKKXXTEUEPGS-SNVBAGLBSA-N 2 0 294.359 -0.788 20 0 CBADRP C[NH+](C)CCC[C@H]1CN(C(=O)NCC[NH3+])CCO1 ZINC000659507379 420426005 /nfs/dbraw/zinc/42/60/05/420426005.db2.gz JOHBRNNMPVWYDK-NSHDSACASA-N 2 0 258.366 -0.303 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000376747522 230260928 /nfs/dbraw/zinc/26/09/28/230260928.db2.gz HRRBGLABEJYTFU-ZDUSSCGKSA-N 2 0 287.404 -0.210 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659540896 420430835 /nfs/dbraw/zinc/43/08/35/420430835.db2.gz XPVVEQVNMUOAOS-MRVPVSSYSA-N 2 0 282.348 -0.562 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[C@H]1F ZINC000659550682 420432642 /nfs/dbraw/zinc/43/26/42/420432642.db2.gz TVPRCXUKJDNPNE-HBNTYKKESA-N 2 0 274.340 -0.554 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000659552930 420433436 /nfs/dbraw/zinc/43/34/36/420433436.db2.gz GWEUOEOVIFGOPE-NWDGAFQWSA-N 2 0 270.377 -0.242 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000659555231 420433705 /nfs/dbraw/zinc/43/37/05/420433705.db2.gz PFDGCOZWZPFLFO-SQLBVSGCSA-N 2 0 254.334 -0.893 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000680834142 545040778 /nfs/dbraw/zinc/04/07/78/545040778.db2.gz BJKJNZPJAMNHAZ-HIFRSBDPSA-N 2 0 296.415 -0.164 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000659750952 420467262 /nfs/dbraw/zinc/46/72/62/420467262.db2.gz DZMKUYFXGOESDO-SRVKXCTJSA-N 2 0 282.388 -0.737 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000659750874 420467598 /nfs/dbraw/zinc/46/75/98/420467598.db2.gz ICRMADRHVHDEBX-JTQLQIEISA-N 2 0 270.377 -0.737 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659750053 420467734 /nfs/dbraw/zinc/46/77/34/420467734.db2.gz DDAMZSUBYXXORB-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000659756857 420469038 /nfs/dbraw/zinc/46/90/38/420469038.db2.gz VPQPOTNXTZZUCY-RYUDHWBXSA-N 2 0 284.404 -0.491 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000659756789 420469177 /nfs/dbraw/zinc/46/91/77/420469177.db2.gz SJCQMDCKWZSQDO-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000659608452 420437907 /nfs/dbraw/zinc/43/79/07/420437907.db2.gz DDKPIUVIICQNFF-NWDGAFQWSA-N 2 0 270.377 -0.160 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)NCC12CC(C1)C[NH2+]2 ZINC000659609915 420437980 /nfs/dbraw/zinc/43/79/80/420437980.db2.gz DLZVBOADPKFPIE-UHFFFAOYSA-N 2 0 250.346 -0.210 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)/C=C\C[NH+](C)C ZINC000491844734 230331669 /nfs/dbraw/zinc/33/16/69/230331669.db2.gz IWWMLLAFZIUOAH-FJOGCWAESA-N 2 0 254.378 -0.534 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000659622360 420438340 /nfs/dbraw/zinc/43/83/40/420438340.db2.gz PGENFWHOPAEIDB-YPMHNXCESA-N 2 0 272.393 -0.274 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000659623038 420438999 /nfs/dbraw/zinc/43/89/99/420438999.db2.gz ZWXHOPCSYKRXFE-YPMHNXCESA-N 2 0 274.409 -0.028 20 0 CBADRP CC1(C)CN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[NH2+]1 ZINC000659629480 420439005 /nfs/dbraw/zinc/43/90/05/420439005.db2.gz UZJPDDFOFMKEQS-UHFFFAOYSA-N 2 0 294.359 -0.466 20 0 CBADRP CCO[C@@H]1CN(C(=O)N[C@@H](C)C[NH2+]C)C[C@H]1C[NH3+] ZINC000659634636 420440570 /nfs/dbraw/zinc/44/05/70/420440570.db2.gz DKILCRIXNCPJLP-HBNTYKKESA-N 2 0 258.366 -0.401 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000659642091 420442824 /nfs/dbraw/zinc/44/28/24/420442824.db2.gz JFXIIPGPERYYIR-NEPJUHHUSA-N 2 0 269.393 -0.717 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](c1ccco1)N(C)C ZINC000659673166 420446278 /nfs/dbraw/zinc/44/62/78/420446278.db2.gz HSSBGZUUSYDBMP-QWRGUYRKSA-N 2 0 296.371 -0.277 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659675262 420446291 /nfs/dbraw/zinc/44/62/91/420446291.db2.gz MYINJIZMZYUOFU-GHMZBOCLSA-N 2 0 272.393 -0.443 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659675267 420446497 /nfs/dbraw/zinc/44/64/97/420446497.db2.gz MYINJIZMZYUOFU-WDEREUQCSA-N 2 0 272.393 -0.443 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cn2ccccc2n1 ZINC000659677254 420447049 /nfs/dbraw/zinc/44/70/49/420447049.db2.gz MPIRVWYNTVOXRE-JTQLQIEISA-N 2 0 289.339 -0.325 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC[N@@H+]1C ZINC000659679537 420447420 /nfs/dbraw/zinc/44/74/20/420447420.db2.gz ZIPXYXFALHABKP-DILZAHMFSA-N 2 0 294.399 -0.465 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000659681362 420447734 /nfs/dbraw/zinc/44/77/34/420447734.db2.gz GVXVEPRNCOBZOH-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659685806 420448721 /nfs/dbraw/zinc/44/87/21/420448721.db2.gz PHYYOABTHRQDMG-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCCC1 ZINC000659686775 420449143 /nfs/dbraw/zinc/44/91/43/420449143.db2.gz JNLXSXVLSVQFIY-LLVKDONJSA-N 2 0 294.399 -0.273 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659691097 420450164 /nfs/dbraw/zinc/45/01/64/420450164.db2.gz HLUHKMZTYLQTQQ-NSHDSACASA-N 2 0 272.393 -0.441 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000659694214 420451325 /nfs/dbraw/zinc/45/13/25/420451325.db2.gz RTVJNSHKLSVEEQ-GHMZBOCLSA-N 2 0 296.415 -0.077 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659703297 420453027 /nfs/dbraw/zinc/45/30/27/420453027.db2.gz YEAMTFHOYXOERZ-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000659704355 420453072 /nfs/dbraw/zinc/45/30/72/420453072.db2.gz KVVJFTDROZAEEP-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659706107 420453192 /nfs/dbraw/zinc/45/31/92/420453192.db2.gz HPEKKIQGZYXXEK-UHFFFAOYSA-N 2 0 272.393 -0.360 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000659709263 420453745 /nfs/dbraw/zinc/45/37/45/420453745.db2.gz GMMMKCZGUFOFAE-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH2+]C)C1 ZINC000659709884 420454031 /nfs/dbraw/zinc/45/40/31/420454031.db2.gz JSNYCECDROQUON-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[NH3+])C1 ZINC000659709658 420454062 /nfs/dbraw/zinc/45/40/62/420454062.db2.gz JRBFHMPKDJNZTD-VIFPVBQESA-N 2 0 256.350 -0.950 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000659712818 420455793 /nfs/dbraw/zinc/45/57/93/420455793.db2.gz MFDQWWMGQUTPPL-RYUDHWBXSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659715531 420456689 /nfs/dbraw/zinc/45/66/89/420456689.db2.gz PTMXBUJDMUQOJJ-VHSXEESVSA-N 2 0 270.377 -0.561 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH3+])C1 ZINC000659715383 420456731 /nfs/dbraw/zinc/45/67/31/420456731.db2.gz SYXVVRUBYCZENQ-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH2+]CC)C1 ZINC000659714799 420456768 /nfs/dbraw/zinc/45/67/68/420456768.db2.gz WBCYKJVCSNKVMC-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)[NH3+])C1 ZINC000659715456 420456893 /nfs/dbraw/zinc/45/68/93/420456893.db2.gz PFQCAWYSQVBCPG-NXEZZACHSA-N 2 0 256.350 -0.950 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000659718359 420457990 /nfs/dbraw/zinc/45/79/90/420457990.db2.gz PRVREBXYMASPTD-RYUDHWBXSA-N 2 0 282.388 -0.560 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000659722125 420458986 /nfs/dbraw/zinc/45/89/86/420458986.db2.gz MQSKRJJUHFAKIM-UPJWGTAASA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000659720269 420459216 /nfs/dbraw/zinc/45/92/16/420459216.db2.gz RXRZQZUPIIPKMH-NEPJUHHUSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCC[N@H+](C)CC(C)C ZINC000659726231 420460016 /nfs/dbraw/zinc/46/00/16/420460016.db2.gz BJEWHXKHJWXZFK-LBPRGKRZSA-N 2 0 286.420 -0.195 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000659729693 420461303 /nfs/dbraw/zinc/46/13/03/420461303.db2.gz TUMCILMMKIHNCS-WOPDTQHZSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659732482 420462435 /nfs/dbraw/zinc/46/24/35/420462435.db2.gz OMJKJZMWVNEKLM-LBPRGKRZSA-N 2 0 296.415 -0.025 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000659738277 420462977 /nfs/dbraw/zinc/46/29/77/420462977.db2.gz DGKIDVFMPMNNHF-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000659738223 420463520 /nfs/dbraw/zinc/46/35/20/420463520.db2.gz BZJKEEPYVWTTQR-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000659738542 420463862 /nfs/dbraw/zinc/46/38/62/420463862.db2.gz FWTAQEUIFCPSFP-LBPRGKRZSA-N 2 0 282.388 -0.463 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)C1 ZINC000659739724 420464510 /nfs/dbraw/zinc/46/45/10/420464510.db2.gz YLNMZRMSJVWCAE-XQQFMLRXSA-N 2 0 296.415 -0.204 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659742034 420464566 /nfs/dbraw/zinc/46/45/66/420464566.db2.gz YOCUITYMVZVBHU-MQYJIDSJSA-N 2 0 294.399 -0.593 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000659739613 420464718 /nfs/dbraw/zinc/46/47/18/420464718.db2.gz XUDSXONZICERBV-CYBMUJFWSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)C1 ZINC000659739721 420465352 /nfs/dbraw/zinc/46/53/52/420465352.db2.gz YLNMZRMSJVWCAE-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP O=C(Nc1ccn([C@@H]2CC[NH2+]C2)n1)[C@]1(F)CC[NH2+]C1 ZINC000583621422 420474635 /nfs/dbraw/zinc/47/46/35/420474635.db2.gz HEMWWOSDFAOOQD-SKDRFNHKSA-N 2 0 267.308 0.058 20 0 CBADRP Nc1ccc(CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000594738633 420485846 /nfs/dbraw/zinc/48/58/46/420485846.db2.gz IWUBINSWXYYMHA-QWRGUYRKSA-N 2 0 261.329 -0.592 20 0 CBADRP Nc1ccc(CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000594738632 420486028 /nfs/dbraw/zinc/48/60/28/420486028.db2.gz IWUBINSWXYYMHA-MNOVXSKESA-N 2 0 261.329 -0.592 20 0 CBADRP CC(C)[N@H+](C)C[C@@H](O)CN1CCN2CCOC[C@H]2C1 ZINC000660274438 420488006 /nfs/dbraw/zinc/48/80/06/420488006.db2.gz RUNNVJHEEJVBJC-ZIAGYGMSSA-N 2 0 271.405 -0.296 20 0 CBADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(C(N)=O)C1 ZINC000660460864 420491416 /nfs/dbraw/zinc/49/14/16/420491416.db2.gz JFPIPROIHFLPHV-DGCLKSJQSA-N 2 0 257.378 -0.115 20 0 CBADRP C[NH+](C)CCn1ccc(C(=O)N2CC([NH+](C)C)C2)n1 ZINC000517391281 260178261 /nfs/dbraw/zinc/17/82/61/260178261.db2.gz LYHWGMYCXFHKIR-UHFFFAOYSA-N 2 0 265.361 -0.169 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000517926856 260318328 /nfs/dbraw/zinc/31/83/28/260318328.db2.gz UVACTECZGJEHSZ-TUVASFSCSA-N 2 0 297.443 -0.002 20 0 CBADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000517922054 260318912 /nfs/dbraw/zinc/31/89/12/260318912.db2.gz DGLHYWIANWXXGG-INIZCTEOSA-N 3 0 298.475 -0.084 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000518023478 260335783 /nfs/dbraw/zinc/33/57/83/260335783.db2.gz PSOBAPPEJXSPFB-UXIGCNINSA-N 2 0 296.415 -0.165 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000518023479 260336064 /nfs/dbraw/zinc/33/60/64/260336064.db2.gz PSOBAPPEJXSPFB-ZLDLUXBVSA-N 2 0 296.415 -0.165 20 0 CBADRP CC[N@H+](CCNC(=O)NCC(=O)N1CC[NH2+]CC1)C(C)C ZINC000518343792 260380670 /nfs/dbraw/zinc/38/06/70/260380670.db2.gz CAYQPYVHXLBRSR-UHFFFAOYSA-N 2 0 299.419 -0.552 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000519122962 265326777 /nfs/dbraw/zinc/32/67/77/265326777.db2.gz LGQPOGXKLJVSJB-LBPRGKRZSA-N 2 0 286.420 -0.114 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000236936510 269579385 /nfs/dbraw/zinc/57/93/85/269579385.db2.gz GMFRFWOQCDQJNB-NEPJUHHUSA-N 2 0 273.377 -0.552 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CC[NH3+] ZINC000237027649 269579658 /nfs/dbraw/zinc/57/96/58/269579658.db2.gz PWALROUMSREKRN-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CCC1 ZINC000521464279 269603208 /nfs/dbraw/zinc/60/32/08/269603208.db2.gz PXYNMWRNDNFQBR-JTQLQIEISA-N 2 0 268.361 -0.935 20 0 CBADRP [NH3+]CCC1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529385029 269634226 /nfs/dbraw/zinc/63/42/26/269634226.db2.gz FYQVHYWHLSCPLE-LBPRGKRZSA-N 2 0 270.377 -0.255 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000340965076 276094265 /nfs/dbraw/zinc/09/42/65/276094265.db2.gz WKJQGAXCUFHKQP-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351559301 276102459 /nfs/dbraw/zinc/10/24/59/276102459.db2.gz IIHCHDWDLGHDKQ-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000343287754 276170948 /nfs/dbraw/zinc/17/09/48/276170948.db2.gz BLBNJUWMLUQRFT-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CCCN(CCC(=O)N1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000262165916 276252028 /nfs/dbraw/zinc/25/20/28/276252028.db2.gz QBSUQYVNCANHSU-CYBMUJFWSA-N 2 0 268.405 -0.118 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000423611649 276307196 /nfs/dbraw/zinc/30/71/96/276307196.db2.gz SLRQSQKBLBUBOY-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[C@H](CS(=O)(=O)N(CCC[NH3+])CCC[NH3+])OC ZINC000422554144 287894234 /nfs/dbraw/zinc/89/42/34/287894234.db2.gz WDAQMZCYWBPXEG-LLVKDONJSA-N 2 0 281.422 -0.259 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074217 277004528 /nfs/dbraw/zinc/00/45/28/277004528.db2.gz SARHKQMKJTWZIQ-VHSXEESVSA-N 2 0 256.350 -0.109 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000430901672 277222550 /nfs/dbraw/zinc/22/25/50/277222550.db2.gz VXDJXGBUGGQLBO-UONOGXRCSA-N 2 0 299.415 -0.018 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000419328891 277266961 /nfs/dbraw/zinc/26/69/61/277266961.db2.gz FYJIQZSHCQGXRJ-DGCLKSJQSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000419584462 277295446 /nfs/dbraw/zinc/29/54/46/277295446.db2.gz KVBOVYXNCDLOQH-GHMZBOCLSA-N 2 0 282.388 -0.594 20 0 CBADRP COCCN1CC[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000344215629 277528296 /nfs/dbraw/zinc/52/82/96/277528296.db2.gz SSADHTNVSJSKAR-CYBMUJFWSA-N 2 0 271.405 -0.247 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000357181142 278243284 /nfs/dbraw/zinc/24/32/84/278243284.db2.gz WTMLSHTXOQVDHO-UWVGGRQHSA-N 2 0 256.350 -0.963 20 0 CBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000355486576 278365376 /nfs/dbraw/zinc/36/53/76/278365376.db2.gz QJZZFJXWVXYIEI-UONOGXRCSA-N 2 0 297.447 -0.032 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418937895 279126823 /nfs/dbraw/zinc/12/68/23/279126823.db2.gz LFBBLASRCGWFGF-RWMBFGLXSA-N 2 0 296.415 -0.489 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000419150116 279135526 /nfs/dbraw/zinc/13/55/26/279135526.db2.gz LUOPYNQGVYVONU-NWDGAFQWSA-N 2 0 286.420 -0.068 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419778559 279155514 /nfs/dbraw/zinc/15/55/14/279155514.db2.gz LMIZHRJFGSDEIR-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000419867737 279166350 /nfs/dbraw/zinc/16/63/50/279166350.db2.gz QNBLSZQIKUJWKY-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419839474 279166353 /nfs/dbraw/zinc/16/63/53/279166353.db2.gz HLSPUQHZDPZOIZ-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C1CC1 ZINC000419509226 279189464 /nfs/dbraw/zinc/18/94/64/279189464.db2.gz DSWXUXDWXSPSCA-JTQLQIEISA-N 2 0 270.377 -0.608 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)C1CC1 ZINC000419526086 279190180 /nfs/dbraw/zinc/19/01/80/279190180.db2.gz SDYQILIWVPZLAT-LLVKDONJSA-N 2 0 282.388 -0.593 20 0 CBADRP CC(C)C[C@](C)(C[NH3+])NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351538752 279235643 /nfs/dbraw/zinc/23/56/43/279235643.db2.gz SDRHANYVORRYAE-SMDDNHRTSA-N 2 0 284.404 -0.266 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000419593079 279268398 /nfs/dbraw/zinc/26/83/98/279268398.db2.gz SNFPWNKUGGDGOI-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419578452 279279189 /nfs/dbraw/zinc/27/91/89/279279189.db2.gz DTVJKOJXDFRNBD-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351522901 279297256 /nfs/dbraw/zinc/29/72/56/279297256.db2.gz MMIPCGXYWPYNTL-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420040320 279307085 /nfs/dbraw/zinc/30/70/85/279307085.db2.gz OXQSWGLBEXBZFI-NEPJUHHUSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000370774480 288130940 /nfs/dbraw/zinc/13/09/40/288130940.db2.gz ROICQMRQQYKBCG-JLLWLGSASA-N 2 0 253.346 -0.426 20 0 CBADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)[C@H]1C[NH2+]CCO1 ZINC000424170552 279620532 /nfs/dbraw/zinc/62/05/32/279620532.db2.gz KGDCZJBQIGOVIT-TZMBILIQSA-N 2 0 253.346 -0.393 20 0 CBADRP C[C@@H]1C[N@@H+](CCCCNC(=O)COC2C[NH2+]C2)C[C@H](C)O1 ZINC000430718660 288158624 /nfs/dbraw/zinc/15/86/24/288158624.db2.gz YACQFOBWHWDBLX-BETUJISGSA-N 2 0 299.415 -0.020 20 0 CBADRP CC(C)[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[C@@H](C)[NH3+] ZINC000514937119 280145688 /nfs/dbraw/zinc/14/56/88/280145688.db2.gz GEMLPUSILXVMEA-UPJWGTAASA-N 2 0 298.431 -0.081 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000418376219 280285570 /nfs/dbraw/zinc/28/55/70/280285570.db2.gz FWLGXGVZLRTWFT-VXGBXAGGSA-N 2 0 299.419 -0.391 20 0 CBADRP CC[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)CC[N@@H+]1C[C@@H](C)O ZINC000168008925 280351532 /nfs/dbraw/zinc/35/15/32/280351532.db2.gz IUNGYQVFXQQRRO-MGPQQGTHSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@@H+]1C[C@H](C)O ZINC000333850479 280360931 /nfs/dbraw/zinc/36/09/31/280360931.db2.gz PZCMQSRJJSAYKU-MEBFFEOJSA-N 2 0 296.415 -0.309 20 0 CBADRP CC1(C)CN(C(=O)NCCN2CC[NH2+]CC2)CC[NH2+]1 ZINC000333888065 281173224 /nfs/dbraw/zinc/17/32/24/281173224.db2.gz XNMOTIANJZYHSK-UHFFFAOYSA-N 2 0 269.393 -0.715 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000094459835 288303663 /nfs/dbraw/zinc/30/36/63/288303663.db2.gz WJLMKNXWCWQJID-UTUOFQBUSA-N 2 0 253.346 -0.330 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000365334678 288323154 /nfs/dbraw/zinc/32/31/54/288323154.db2.gz RQEHBQOXBRMMRV-SCZZXKLOSA-N 2 0 263.345 -0.217 20 0 CBADRP C[NH+](C)C1CN(c2cncc(N3CC([NH+](C)C)C3)n2)C1 ZINC000340014902 282054303 /nfs/dbraw/zinc/05/43/03/282054303.db2.gz PJXLMRNSLCYVBA-UHFFFAOYSA-N 2 0 276.388 -0.023 20 0 CBADRP CN(C(=O)C[C@H]1C[NH2+]CCO1)C1CC[NH+](C)CC1 ZINC000091299067 288816516 /nfs/dbraw/zinc/81/65/16/288816516.db2.gz SAVOODGAPUJNRL-LBPRGKRZSA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CCC1 ZINC000419221028 289042662 /nfs/dbraw/zinc/04/26/62/289042662.db2.gz BTZAPRSXESFYPR-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)CCC1 ZINC000419249581 289043059 /nfs/dbraw/zinc/04/30/59/289043059.db2.gz ZGBHSNQEMZLJBP-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP C[NH+](C)C1(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCCC1 ZINC000351559383 289045183 /nfs/dbraw/zinc/04/51/83/289045183.db2.gz IZMBDTNUVGGOSG-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH+](C)C1(CNC(=O)N(CC[NH3+])CCO)CCCC1 ZINC000416824942 289046603 /nfs/dbraw/zinc/04/66/03/289046603.db2.gz KUJVPBDDRUQKKL-UHFFFAOYSA-N 2 0 272.393 -0.177 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)CCC[N@@H+]1C ZINC000347799529 289049254 /nfs/dbraw/zinc/04/92/54/289049254.db2.gz ZMQZNFKKIQWYMJ-FRRDWIJNSA-N 2 0 296.415 -0.252 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419814351 289126506 /nfs/dbraw/zinc/12/65/06/289126506.db2.gz IGWXZBDCDRGMCV-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351760180 289127558 /nfs/dbraw/zinc/12/75/58/289127558.db2.gz FJWMZCYOKZSRMR-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CN(CCC[N@H+](C)CCNS(C)(=O)=O)CC[NH+](C)C ZINC000344024457 289132221 /nfs/dbraw/zinc/13/22/21/289132221.db2.gz INEYFTORRJPMFX-UHFFFAOYSA-N 2 0 294.465 -0.649 20 0 CBADRP C[C@@]1(C(N)=O)CC[NH+](CCC[N@H+]2CC[C@@](C)(C(N)=O)C2)C1 ZINC000361565849 289156302 /nfs/dbraw/zinc/15/63/02/289156302.db2.gz QQKXXULVEQLPSU-HUUCEWRRSA-N 2 0 296.415 -0.229 20 0 CBADRP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000343842021 289216859 /nfs/dbraw/zinc/21/68/59/289216859.db2.gz AIBLOBXFOFDHLD-NEPJUHHUSA-N 2 0 255.362 -0.225 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCC(=O)NC(N)=O ZINC000441259806 289334002 /nfs/dbraw/zinc/33/40/02/289334002.db2.gz MCEDVZAQMWCUFP-WOPDTQHZSA-N 2 0 298.387 -0.245 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000420080965 289367646 /nfs/dbraw/zinc/36/76/46/289367646.db2.gz SKJGCHSBQBPUOJ-JTQLQIEISA-N 2 0 270.377 -0.608 20 0 CBADRP CN(C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333369660 289377955 /nfs/dbraw/zinc/37/79/55/289377955.db2.gz MFYLEBYETJHEJX-CYDGBPFRSA-N 2 0 284.404 -0.167 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188215757 289380539 /nfs/dbraw/zinc/38/05/39/289380539.db2.gz XXQHLJJAVDTPTG-SDDRHHMPSA-N 2 0 255.362 -0.036 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)NCC1([NH3+])CCCCC1 ZINC000418299327 290062402 /nfs/dbraw/zinc/06/24/02/290062402.db2.gz SBMSXFFSUBNVIA-LBPRGKRZSA-N 2 0 283.420 -0.149 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000430724000 290093102 /nfs/dbraw/zinc/09/31/02/290093102.db2.gz UNWGGNOJHHXRSO-AVGNSLFASA-N 2 0 285.388 -0.722 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@@H]1C ZINC000333860100 290101041 /nfs/dbraw/zinc/10/10/41/290101041.db2.gz RVVHYBKWCYAFQR-JZRPKSSGSA-N 2 0 282.388 -0.699 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431024004 290494488 /nfs/dbraw/zinc/49/44/88/290494488.db2.gz JVNTWGZYSXWGLQ-JTQLQIEISA-N 2 0 268.361 -0.094 20 0 CBADRP COC[C@H](C)NC(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000361814169 293020251 /nfs/dbraw/zinc/02/02/51/293020251.db2.gz NAYOPHSKVSKEQY-TUAOUCFPSA-N 2 0 270.377 -0.002 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424220610 293115998 /nfs/dbraw/zinc/11/59/98/293115998.db2.gz ALKWDHDHKJXZJT-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP COC[C@H]([NH3+])C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000353801202 293117164 /nfs/dbraw/zinc/11/71/64/293117164.db2.gz ZZUIHBFDLKWLHD-TUAOUCFPSA-N 2 0 273.377 -0.424 20 0 CBADRP COC[C@]1(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC[NH2+]C1 ZINC000417846451 293269344 /nfs/dbraw/zinc/26/93/44/293269344.db2.gz UBBOMNFJDDOTIQ-WZRBSPASSA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NCCC[NH3+] ZINC000419830810 299894279 /nfs/dbraw/zinc/89/42/79/299894279.db2.gz GWRVDPUOIIDJAP-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000337882528 295108007 /nfs/dbraw/zinc/10/80/07/295108007.db2.gz SNSUOXKTSBQSTR-VXGBXAGGSA-N 2 0 282.388 -0.558 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CCO1 ZINC000418420424 295259814 /nfs/dbraw/zinc/25/98/14/295259814.db2.gz ZEFMRECUUVCWDZ-QJPTWQEYSA-N 2 0 270.377 -0.127 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CCO3)C[C@H]21 ZINC000374594750 295309076 /nfs/dbraw/zinc/30/90/76/295309076.db2.gz NLBMHFYBILUWFG-DDHJBXDOSA-N 2 0 253.346 -0.439 20 0 CBADRP [NH3+][C@H]1CCC[C@]12CCN(C(=O)[C@H]1C[NH2+]CCO1)C2 ZINC000365106536 295338927 /nfs/dbraw/zinc/33/89/27/295338927.db2.gz VKTIICYFAOUGOL-NTZNESFSSA-N 2 0 253.346 -0.295 20 0 CBADRP C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000422535752 297234529 /nfs/dbraw/zinc/23/45/29/297234529.db2.gz DCPACFOCCAKWNE-KKOKHZNYSA-N 2 0 255.362 -0.193 20 0 CBADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000442789650 297398186 /nfs/dbraw/zinc/39/81/86/297398186.db2.gz KAGYHFWESJNGTD-GHMZBOCLSA-N 2 0 263.407 -0.063 20 0 CBADRP C[C@H](C(=O)NC(N)=O)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431040876 298132924 /nfs/dbraw/zinc/13/29/24/298132924.db2.gz YXXXBUIALRTXOB-SECBINFHSA-N 2 0 254.334 -0.355 20 0 CBADRP C[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)[NH+](C)C ZINC000071215530 298769633 /nfs/dbraw/zinc/76/96/33/298769633.db2.gz WSIJNTDVFNXVND-SNVBAGLBSA-N 2 0 280.376 -0.118 20 0 CBADRP C[C@H]1C[N@H+](CCOCCO)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343919652 300263203 /nfs/dbraw/zinc/26/32/03/300263203.db2.gz GYMFJOBZTQPKJL-GJZGRUSLSA-N 2 0 285.432 -0.047 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377559950 300571875 /nfs/dbraw/zinc/57/18/75/300571875.db2.gz FCEQEHPEDBEYFY-MGPQQGTHSA-N 2 0 280.416 -0.119 20 0 CBADRP NC(=O)NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228474800 303268855 /nfs/dbraw/zinc/26/88/55/303268855.db2.gz YWAPKDCRXBNIAW-IVZWLZJFSA-N 2 0 254.334 -0.369 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377563011 303465823 /nfs/dbraw/zinc/46/58/23/303465823.db2.gz KSVNWRSEPTUFIE-JHJVBQTASA-N 2 0 266.389 -0.380 20 0 CBADRP CC(C)(C[NH3+])NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000575312097 335092402 /nfs/dbraw/zinc/09/24/02/335092402.db2.gz CRFFVFWBNAWSOB-VIFPVBQESA-N 2 0 256.350 -0.902 20 0 CBADRP O=C(N[C@H]1CCCC[NH2+]C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333664270 303949929 /nfs/dbraw/zinc/94/99/29/303949929.db2.gz MBYCRUTWULIOIB-UONOGXRCSA-N 2 0 295.431 -0.182 20 0 CBADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000575312646 335092516 /nfs/dbraw/zinc/09/25/16/335092516.db2.gz ZNNAMJBHZXFCNW-BDAKNGLRSA-N 2 0 254.334 -0.701 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC[NH3+] ZINC000565253054 327627087 /nfs/dbraw/zinc/62/70/87/327627087.db2.gz FZCULWCKJZYYHE-NSHDSACASA-N 2 0 270.377 -0.702 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C[C@H]3COCC[NH2+]3)C[C@H]12 ZINC000562976779 327731481 /nfs/dbraw/zinc/73/14/81/327731481.db2.gz QUJMUEYPEDGRJA-NOOOWODRSA-N 2 0 253.346 -0.439 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C[C@@H]3COCC[NH2+]3)C[C@@H]12 ZINC000562976778 327731495 /nfs/dbraw/zinc/73/14/95/327731495.db2.gz QUJMUEYPEDGRJA-DDHJBXDOSA-N 2 0 253.346 -0.439 20 0 CBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCC[NH2+]CCOC)C1(C)C ZINC000188286312 327748933 /nfs/dbraw/zinc/74/89/33/327748933.db2.gz NPUIOIFBDMZTIS-RISCZKNCSA-N 2 0 287.404 -0.129 20 0 CBADRP COC[C@@]1(CNC(=O)COC2CC[NH2+]CC2)CCC[NH2+]1 ZINC000582061661 327825997 /nfs/dbraw/zinc/82/59/97/327825997.db2.gz JPDBIPRDJWVDKJ-AWEZNQCLSA-N 2 0 285.388 -0.360 20 0 CBADRP C[C@]1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC000582120546 327880012 /nfs/dbraw/zinc/88/00/12/327880012.db2.gz AVNQPPNCTXDEAP-JSGCOSHPSA-N 2 0 266.389 -0.508 20 0 CBADRP C[C@@H]([NH3+])C1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000563100164 327924219 /nfs/dbraw/zinc/92/42/19/327924219.db2.gz QXNCYWQVOOMWMU-YPMHNXCESA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000563108436 327924843 /nfs/dbraw/zinc/92/48/43/327924843.db2.gz FGEMYEQAHNVINQ-VHSXEESVSA-N 2 0 266.349 -0.503 20 0 CBADRP CC1(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)C[NH2+]C1 ZINC000570962834 327964007 /nfs/dbraw/zinc/96/40/07/327964007.db2.gz JKEHNBASGGELSB-NSHDSACASA-N 2 0 278.360 -0.490 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000563271479 328005557 /nfs/dbraw/zinc/00/55/57/328005557.db2.gz TUFUIRZAVGHAOR-UKRRQHHQSA-N 3 0 287.448 -0.019 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000567368497 328061015 /nfs/dbraw/zinc/06/10/15/328061015.db2.gz XXDYZSUZTSCZJL-RWMBFGLXSA-N 3 0 266.389 -0.380 20 0 CBADRP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)NCC[NH+](C)C ZINC000563403868 328062913 /nfs/dbraw/zinc/06/29/13/328062913.db2.gz PMJSCKKTOXWHES-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCCC[NH2+]C3CC3)CCN2C1=O ZINC000563450907 328066294 /nfs/dbraw/zinc/06/62/94/328066294.db2.gz JZFQPVUAEBNWME-NEPJUHHUSA-N 2 0 295.387 -0.918 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000563454543 328067603 /nfs/dbraw/zinc/06/76/03/328067603.db2.gz MSTQDMCTCPYAFL-UHFFFAOYSA-N 2 0 284.404 -0.214 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000563455976 328067715 /nfs/dbraw/zinc/06/77/15/328067715.db2.gz BRSSBHIIIXGGGG-STQMWFEESA-N 2 0 294.399 -0.449 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000563457598 328067862 /nfs/dbraw/zinc/06/78/62/328067862.db2.gz NECUSVYBHPXDDV-QWHCGFSZSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH2+]Cc1cccc(NC(=O)CNC(=O)C[NH3+])c1 ZINC000563534277 328072421 /nfs/dbraw/zinc/07/24/21/328072421.db2.gz KGLMTQJREYUYPH-UHFFFAOYSA-N 2 0 250.302 -0.581 20 0 CBADRP CC[NH+](CC)CCCNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563559791 328074166 /nfs/dbraw/zinc/07/41/66/328074166.db2.gz AOEOXPABFBSZBY-UHFFFAOYSA-N 2 0 299.419 -0.551 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)NCCN1CC[NH2+]CC1 ZINC000563596571 328076120 /nfs/dbraw/zinc/07/61/20/328076120.db2.gz HPGNKVFNEIXFCR-UHFFFAOYSA-N 2 0 283.420 -0.371 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000563605903 328076514 /nfs/dbraw/zinc/07/65/14/328076514.db2.gz ZFLFPIREISZXKJ-GFCCVEGCSA-N 3 0 273.425 -0.142 20 0 CBADRP NC(=O)C[C@@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000563622017 328077974 /nfs/dbraw/zinc/07/79/74/328077974.db2.gz CGJJCKDGVJPWSU-LBPRGKRZSA-N 2 0 254.378 -0.379 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000571149407 328088269 /nfs/dbraw/zinc/08/82/69/328088269.db2.gz CNOJWGXTSVTNHZ-UHFFFAOYSA-N 2 0 297.403 -0.845 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000571225406 328093817 /nfs/dbraw/zinc/09/38/17/328093817.db2.gz ZNQOICFVSUEUFI-RYUDHWBXSA-N 2 0 255.362 -0.225 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000572839612 328101043 /nfs/dbraw/zinc/10/10/43/328101043.db2.gz WEOLVRKPJHNKRI-AVGNSLFASA-N 2 0 267.373 -0.035 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000571305437 328101241 /nfs/dbraw/zinc/10/12/41/328101241.db2.gz JALAYAHSEDNTEY-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CO[C@@H]1CCN(C(=O)C[NH2+]CC2CC2)[C@@H](C[NH3+])C1 ZINC000571326573 328107651 /nfs/dbraw/zinc/10/76/51/328107651.db2.gz NHAFXHAGQWTUCC-VXGBXAGGSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])C2)CC1 ZINC000571431646 328121184 /nfs/dbraw/zinc/12/11/84/328121184.db2.gz ALXRCNWVWUQMKR-XQQFMLRXSA-N 2 0 266.389 -0.428 20 0 CBADRP C[C@H](CNC(=O)C[C@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000161095465 328129053 /nfs/dbraw/zinc/12/90/53/328129053.db2.gz DJWGYCOGJSOVGO-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CCO1 ZINC000571523314 328131460 /nfs/dbraw/zinc/13/14/60/328131460.db2.gz VBDXWVURXUUGBN-KBPBESRZSA-N 2 0 297.399 -0.184 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000571626409 328143069 /nfs/dbraw/zinc/14/30/69/328143069.db2.gz VUCFMVWXHZBAMP-CHWSQXEVSA-N 2 0 281.404 -0.620 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCN3CC[NH2+]CC3)C[C@H]21 ZINC000583084311 329312024 /nfs/dbraw/zinc/31/20/24/329312024.db2.gz LXOPWGPBSRQXJH-MGPQQGTHSA-N 2 0 252.406 -0.049 20 0 CBADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000583499138 328585109 /nfs/dbraw/zinc/58/51/09/328585109.db2.gz RBBAJWBZENIDPE-JASNWFPJSA-N 2 0 294.399 -0.513 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)C1 ZINC000583929362 326799716 /nfs/dbraw/zinc/79/97/16/326799716.db2.gz DSSKFKKCHORGDG-FIQHERPVSA-N 2 0 255.362 -0.193 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NCCNc1cc[nH+]cc1 ZINC000583932518 326800434 /nfs/dbraw/zinc/80/04/34/326800434.db2.gz SXNRYMAHBAGQRF-GFCCVEGCSA-N 2 0 264.329 -0.590 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000583995401 326835713 /nfs/dbraw/zinc/83/57/13/326835713.db2.gz HBHWIAAOMYJMER-GFCCVEGCSA-N 2 0 277.372 -0.170 20 0 CBADRP C[NH+]1CCN(c2ccc(C[NH2+]CCC(N)=O)cn2)CC1 ZINC000557233176 326998250 /nfs/dbraw/zinc/99/82/50/326998250.db2.gz HYYZXQXLBAIYLA-UHFFFAOYSA-N 2 0 277.372 -0.202 20 0 CBADRP C[C@@H](C1CC1)N(C)S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000557347580 327002432 /nfs/dbraw/zinc/00/24/32/327002432.db2.gz RNEXTRBSSNDIRZ-NSHDSACASA-N 2 0 292.449 -0.039 20 0 CBADRP COCCC[NH+]1CCC([NH2+]CCC(=O)NC(N)=O)CC1 ZINC000564847834 327011714 /nfs/dbraw/zinc/01/17/14/327011714.db2.gz HOPPKSIOTGLJPA-UHFFFAOYSA-N 2 0 286.376 -0.338 20 0 CBADRP C[C@@H]1[NH2+]CCN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)[C@H]1C ZINC000565833625 327031115 /nfs/dbraw/zinc/03/11/15/327031115.db2.gz MIEMMYRUVMLBOO-AVGNSLFASA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@@H]1CN(CCC(=O)N2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000576636979 327036727 /nfs/dbraw/zinc/03/67/27/327036727.db2.gz NKGAOYPADQUFHY-TXEJJXNPSA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@@H]1CN(CCC(=O)N2CC[NH2+]CC2)C[C@@H](C)[NH2+]1 ZINC000576636980 327036769 /nfs/dbraw/zinc/03/67/69/327036769.db2.gz NKGAOYPADQUFHY-VXGBXAGGSA-N 2 0 254.378 -0.510 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000584171451 327056799 /nfs/dbraw/zinc/05/67/99/327056799.db2.gz ZNISAEAZUDFUMD-NSHDSACASA-N 2 0 280.376 -0.302 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000584230295 327070265 /nfs/dbraw/zinc/07/02/65/327070265.db2.gz WPGZQXVYUGUHLK-RISCZKNCSA-N 2 0 283.372 -0.131 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000569245947 327074066 /nfs/dbraw/zinc/07/40/66/327074066.db2.gz ZKBSXEQWLYIVFF-LLVKDONJSA-N 2 0 265.361 -0.185 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000564448288 327089164 /nfs/dbraw/zinc/08/91/64/327089164.db2.gz LHZHNCWLIPWLJA-RYUDHWBXSA-N 2 0 282.388 -0.430 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](CCO)C[C@H]1C ZINC000584239860 327112203 /nfs/dbraw/zinc/11/22/03/327112203.db2.gz OQJCAMFIEIEHJY-CHWSQXEVSA-N 2 0 259.394 -0.703 20 0 CBADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000566087939 327131315 /nfs/dbraw/zinc/13/13/15/327131315.db2.gz GCHHSVSWDNTOKL-YPMHNXCESA-N 2 0 266.389 -0.510 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000564939874 327198902 /nfs/dbraw/zinc/19/89/02/327198902.db2.gz JDQXPJPGWRCQQU-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(C[C@H](O)C[NH3+])C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000582122804 327220099 /nfs/dbraw/zinc/22/00/99/327220099.db2.gz ASLLSKZPAWNXCI-RDBSUJKOSA-N 2 0 267.373 -0.831 20 0 CBADRP CN1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)[C@@H](C[NH3+])C1 ZINC000564944435 327247315 /nfs/dbraw/zinc/24/73/15/327247315.db2.gz PXKIWVSFLWGTNU-QWRGUYRKSA-N 2 0 292.387 -0.799 20 0 CBADRP CC[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)[C@@H](O)CC ZINC000566232237 327252052 /nfs/dbraw/zinc/25/20/52/327252052.db2.gz ZUNRDPNTVMBVSL-MJBXVCDLSA-N 2 0 273.421 -0.266 20 0 CBADRP CN(C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)[C@H](C[NH3+])C1CC1 ZINC000564954494 327258966 /nfs/dbraw/zinc/25/89/66/327258966.db2.gz JZKPVZLFOMJELA-WCQYABFASA-N 2 0 292.387 -0.161 20 0 CBADRP [NH3+]CCc1nc(C(=O)NC[C@H]2C[NH2+]CCO2)cs1 ZINC000566249839 327260779 /nfs/dbraw/zinc/26/07/79/327260779.db2.gz OAGWHMISGLJZNC-MRVPVSSYSA-N 2 0 270.358 -0.638 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000566251274 327262178 /nfs/dbraw/zinc/26/21/78/327262178.db2.gz NUEMUKZDUDNMGE-CBAPKCEASA-N 2 0 298.309 -0.518 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566252565 327263036 /nfs/dbraw/zinc/26/30/36/327263036.db2.gz BLLZOJJMMZBANO-OCCSQVGLSA-N 2 0 267.373 -0.033 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000577841625 327282760 /nfs/dbraw/zinc/28/27/60/327282760.db2.gz ZIIMQCLMTUSXLP-LPEHRKFASA-N 2 0 296.337 -0.078 20 0 CBADRP CN1CCC[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=O ZINC000560080192 327282879 /nfs/dbraw/zinc/28/28/79/327282879.db2.gz JVLFSAMIGBVSGW-CYBMUJFWSA-N 2 0 298.431 -0.193 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000574038948 327283909 /nfs/dbraw/zinc/28/39/09/327283909.db2.gz UARPPDYARDYIPU-LBPRGKRZSA-N 2 0 294.355 -0.432 20 0 CBADRP C[C@H](CNC(=O)C(=O)N(C)CCC[NH3+])[N@H+](C)C1CC1 ZINC000574413095 327330971 /nfs/dbraw/zinc/33/09/71/327330971.db2.gz HMFVQAZEESKRQR-SNVBAGLBSA-N 2 0 270.377 -0.608 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000564991757 327343700 /nfs/dbraw/zinc/34/37/00/327343700.db2.gz ZMJDHTIJEFJWRQ-WCQYABFASA-N 2 0 270.377 -0.671 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@H](CS(N)(=O)=O)C1 ZINC000574530247 327343729 /nfs/dbraw/zinc/34/37/29/327343729.db2.gz VNBFKYYIYYLDTE-NWDGAFQWSA-N 2 0 293.433 -0.701 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000564992025 327344332 /nfs/dbraw/zinc/34/43/32/327344332.db2.gz DKFUDCVEJVARAG-SCVCMEIPSA-N 2 0 270.377 -0.718 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000564992026 327344469 /nfs/dbraw/zinc/34/44/69/327344469.db2.gz DKFUDCVEJVARAG-UMNHJUIQSA-N 2 0 270.377 -0.718 20 0 CBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000574564606 327349169 /nfs/dbraw/zinc/34/91/69/327349169.db2.gz HWVRXCUBLWQSCN-IJLUTSLNSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1C[C@H](O)C[NH2+]1 ZINC000564995915 327350186 /nfs/dbraw/zinc/35/01/86/327350186.db2.gz WIBKVVLGTYEGCG-NWDGAFQWSA-N 2 0 277.324 -0.170 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000579260139 327361008 /nfs/dbraw/zinc/36/10/08/327361008.db2.gz AAFNDOYGHWCXPB-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000561203642 327375235 /nfs/dbraw/zinc/37/52/35/327375235.db2.gz IJCXDVRDWOSTIA-LBPRGKRZSA-N 2 0 297.403 -0.846 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000561203783 327375300 /nfs/dbraw/zinc/37/53/00/327375300.db2.gz OLPJOBPAVBHYGI-UHFFFAOYSA-N 2 0 299.419 -0.599 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000561223125 327376970 /nfs/dbraw/zinc/37/69/70/327376970.db2.gz XSDVUQCLWFTLDF-KXUCPTDWSA-N 2 0 274.315 -0.156 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000579473886 327378298 /nfs/dbraw/zinc/37/82/98/327378298.db2.gz RDIMSPROZDOTIJ-ZDUSSCGKSA-N 3 0 268.405 -0.227 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[NH+](C)C ZINC000566497120 327399665 /nfs/dbraw/zinc/39/96/65/327399665.db2.gz XBTOBGWYDVHWFG-WOPDTQHZSA-N 2 0 282.388 -0.657 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000569813624 327549082 /nfs/dbraw/zinc/54/90/82/327549082.db2.gz JMIBSKRBEYKRLF-AWEZNQCLSA-N 2 0 268.405 -0.118 20 0 CBADRP COC[C@@]1(CNC(=O)[C@]23C[C@H]2CC[NH2+]3)CCC[NH2+]1 ZINC000569838129 327550798 /nfs/dbraw/zinc/55/07/98/327550798.db2.gz CMVALPMFHHTICG-WXHSDQCUSA-N 2 0 253.346 -0.377 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[NH2+]CCN2C)CC[NH2+]1 ZINC000569971165 327558944 /nfs/dbraw/zinc/55/89/44/327558944.db2.gz JVSVOPZLQIZLRB-SDDRHHMPSA-N 2 0 254.378 -0.606 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000570271896 327580449 /nfs/dbraw/zinc/58/04/49/327580449.db2.gz LTMUDFKNVYDPPZ-BETUJISGSA-N 2 0 296.415 -0.251 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000570682041 327610666 /nfs/dbraw/zinc/61/06/66/327610666.db2.gz OUWNYPPGDWJGOF-XQQFMLRXSA-N 2 0 294.399 -0.687 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000570698889 327612012 /nfs/dbraw/zinc/61/20/12/327612012.db2.gz JZTFHNWABFHMIE-UTUOFQBUSA-N 2 0 297.403 -0.687 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000582240033 328844467 /nfs/dbraw/zinc/84/44/67/328844467.db2.gz NGZMCVPINCWULO-SECBINFHSA-N 2 0 254.338 -0.660 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582415111 328984323 /nfs/dbraw/zinc/98/43/23/328984323.db2.gz ABDYIEZKFDCHBU-TZMCWYRMSA-N 2 0 267.373 -0.033 20 0 CBADRP C[C@@H]1C[C@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)[C@H](C)O1 ZINC000582482144 329095731 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C[C@H](C[NH3+])CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000582605358 329115086 /nfs/dbraw/zinc/11/50/86/329115086.db2.gz TVNQJPYMYPSQIT-BDAKNGLRSA-N 2 0 251.334 -0.189 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000582613716 329117526 /nfs/dbraw/zinc/11/75/26/329117526.db2.gz NVDHAWPGTJLAKW-NWDGAFQWSA-N 2 0 255.362 -0.049 20 0 CBADRP COCC1(C(=O)NC[C@@H]([NH3+])C2CC2)CC[NH2+]CC1 ZINC000582665568 329121717 /nfs/dbraw/zinc/12/17/17/329121717.db2.gz LKEKHKWCUBXIDM-LLVKDONJSA-N 2 0 255.362 -0.144 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000582720615 329130141 /nfs/dbraw/zinc/13/01/41/329130141.db2.gz ZKPGZUDGOKJHOV-YNEHKIRRSA-N 2 0 263.341 -0.168 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C2([NH3+])CCC2)C1 ZINC000582723091 329130605 /nfs/dbraw/zinc/13/06/05/329130605.db2.gz XBZVVSXDTFZPBB-NSHDSACASA-N 2 0 282.388 -0.429 20 0 CBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000582727070 329131598 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[NH3+][C@H]1CCC[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)C1 ZINC000571895544 329928733 /nfs/dbraw/zinc/92/87/33/329928733.db2.gz RZBWIZUYYNMAKM-UWVGGRQHSA-N 2 0 251.334 -0.001 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000572117718 329945985 /nfs/dbraw/zinc/94/59/85/329945985.db2.gz LDILYSHPMWWDGC-XQQFMLRXSA-N 2 0 296.415 -0.170 20 0 CBADRP CC(C)([NH3+])CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000572241048 329960503 /nfs/dbraw/zinc/96/05/03/329960503.db2.gz IUCBVWCPDJWBKI-QMMMGPOBSA-N 2 0 251.334 -0.046 20 0 CBADRP [NH3+]C[C@@H]1C[N@H+](CCCN2CCOCC2)CCCO1 ZINC000572410379 330064493 /nfs/dbraw/zinc/06/44/93/330064493.db2.gz YHCNWGMBXUNHJO-CYBMUJFWSA-N 2 0 257.378 -0.242 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000574990081 330123430 /nfs/dbraw/zinc/12/34/30/330123430.db2.gz FMTAOUDGAKPBRQ-GHMZBOCLSA-N 2 0 269.345 -0.380 20 0 CBADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000574993041 330125804 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COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000575763501 335113573 /nfs/dbraw/zinc/11/35/73/335113573.db2.gz VYUIRUOMNXIYRL-RYUDHWBXSA-N 2 0 270.377 -0.242 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000575811203 335117871 /nfs/dbraw/zinc/11/78/71/335117871.db2.gz SIIMCDAAWHLJQV-UHFFFAOYSA-N 2 0 285.388 -0.408 20 0 CBADRP COCC[NH2+]CC(=O)NCCNc1cc[nH+]cc1 ZINC000575919426 335131035 /nfs/dbraw/zinc/13/10/35/335131035.db2.gz FSTQSTOVFOIFKD-UHFFFAOYSA-N 2 0 252.318 -0.732 20 0 CBADRP C[N@H+](C[C@@H](O)CN[C@H](CO)C[NH+]1CCCCC1)C1CC1 ZINC000575988187 335138865 /nfs/dbraw/zinc/13/88/65/335138865.db2.gz AIPGDFRWJDEULA-ZFWWWQNUSA-N 2 0 285.432 -0.122 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000576015627 335141797 /nfs/dbraw/zinc/14/17/97/335141797.db2.gz DPJGKNAGLPKHKB-DGCLKSJQSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000576108986 335155604 /nfs/dbraw/zinc/15/56/04/335155604.db2.gz HLVJOZYUDYGIPU-RDBSUJKOSA-N 2 0 280.416 -0.119 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000576108985 335155629 /nfs/dbraw/zinc/15/56/29/335155629.db2.gz HLVJOZYUDYGIPU-MGPQQGTHSA-N 2 0 280.416 -0.119 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)CCC[NH3+] ZINC000576109587 335155728 /nfs/dbraw/zinc/15/57/28/335155728.db2.gz XIVWWROQCZPHJK-KOLCDFICSA-N 2 0 258.366 -0.671 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000576135632 335159568 /nfs/dbraw/zinc/15/95/68/335159568.db2.gz CSEPYOZRBMXCMM-UHFFFAOYSA-N 2 0 296.415 -0.073 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1C[C@@H](C)[NH+](C)[C@@H](C)C1 ZINC000311528322 334224300 /nfs/dbraw/zinc/22/43/00/334224300.db2.gz FBTJSQCRWBLHRO-HZSPNIEDSA-N 2 0 273.421 -0.050 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CCO3)CC[C@H]21 ZINC000250597381 334346774 /nfs/dbraw/zinc/34/67/74/334346774.db2.gz JBXUQKHZQSYAQT-JHJVBQTASA-N 2 0 267.373 -0.083 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCOC(F)F)CC1 ZINC000564870271 334525338 /nfs/dbraw/zinc/52/53/38/334525338.db2.gz ZMPVJEBESSABFT-LLVKDONJSA-N 2 0 281.347 -0.186 20 0 CBADRP CC(C)(C[NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000564933639 334529066 /nfs/dbraw/zinc/52/90/66/334529066.db2.gz MEKJHGWHIPFQMA-LLVKDONJSA-N 2 0 254.378 -0.523 20 0 CBADRP COC[C@]1(C(=O)NCC[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000564941264 334529624 /nfs/dbraw/zinc/52/96/24/334529624.db2.gz JCCPFSXYSDULFD-AAEUAGOBSA-N 2 0 255.362 -0.272 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564983387 334532158 /nfs/dbraw/zinc/53/21/58/334532158.db2.gz WYCLAQPBEATLJI-AVGNSLFASA-N 2 0 296.415 -0.027 20 0 CBADRP O=C(CC[C@H]1CC[NH2+]C1)NCCN1CC[NH2+]CC1 ZINC000565596754 334577466 /nfs/dbraw/zinc/57/74/66/334577466.db2.gz KRGBBPYXGAEIER-LBPRGKRZSA-N 2 0 254.378 -0.603 20 0 CBADRP O=C(NC1C[NH2+]C1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000565823161 334599897 /nfs/dbraw/zinc/59/98/97/334599897.db2.gz LDOOAHIBKUENAS-LBPRGKRZSA-N 2 0 280.372 -0.839 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565845427 334602675 /nfs/dbraw/zinc/60/26/75/334602675.db2.gz YXPTXKAWTQUPBL-WDEREUQCSA-N 2 0 297.403 -0.543 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000566203157 334635381 /nfs/dbraw/zinc/63/53/81/334635381.db2.gz VJCOXTOAFUGRPL-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000566200437 334635492 /nfs/dbraw/zinc/63/54/92/334635492.db2.gz KZRATRDOTHFNML-QWRGUYRKSA-N 2 0 268.361 -0.935 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000566212308 334636120 /nfs/dbraw/zinc/63/61/20/334636120.db2.gz RDHYUKSNHXDVRW-HTQZYQBOSA-N 2 0 296.293 -0.750 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000566236622 334637772 /nfs/dbraw/zinc/63/77/72/334637772.db2.gz HQHGRAZXGBPEEN-WDEREUQCSA-N 2 0 272.393 -0.314 20 0 CBADRP [NH3+]CC1(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCCC1 ZINC000566246825 334638157 /nfs/dbraw/zinc/63/81/57/334638157.db2.gz DCUKMNGFZKYYHV-SNVBAGLBSA-N 2 0 268.361 -0.758 20 0 CBADRP C[C@H](C[NH2+]C[C@H](C)S(C)(=O)=O)CN1CC[NH+](C)CC1 ZINC000566557171 334655072 /nfs/dbraw/zinc/65/50/72/334655072.db2.gz PZVWOZAROZMIHL-OLZOCXBDSA-N 2 0 291.461 -0.107 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000567168688 334686837 /nfs/dbraw/zinc/68/68/37/334686837.db2.gz TWZVHSLHNJAVJR-YWVKMMECSA-N 2 0 258.366 -0.672 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000567350361 334707036 /nfs/dbraw/zinc/70/70/36/334707036.db2.gz BZKCXIXECGDDCU-CQSZACIVSA-N 2 0 267.373 -0.033 20 0 CBADRP CC(C)(C[NH3+])C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000567671838 334750028 /nfs/dbraw/zinc/75/00/28/334750028.db2.gz KYICJNOYNCSMKC-SECBINFHSA-N 2 0 296.337 -0.076 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000567835492 334766469 /nfs/dbraw/zinc/76/64/69/334766469.db2.gz SFIFMERWESXEJL-YPMHNXCESA-N 2 0 252.362 -0.993 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000567839824 334767041 /nfs/dbraw/zinc/76/70/41/334767041.db2.gz PZPBNSSDVLNQLE-MNOVXSKESA-N 2 0 280.376 -0.255 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000567908166 334774492 /nfs/dbraw/zinc/77/44/92/334774492.db2.gz ZEKKIZCVOBPBKU-SCVCMEIPSA-N 2 0 270.377 -0.718 20 0 CBADRP C[NH+](C)CC1CCC(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000567910482 334774744 /nfs/dbraw/zinc/77/47/44/334774744.db2.gz ZHLAAGZHXAIQCN-FIYWTHMPSA-N 2 0 269.389 -0.054 20 0 CBADRP [NH3+]CCc1ccccc1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000568149151 334796690 /nfs/dbraw/zinc/79/66/90/334796690.db2.gz BSGJJKJBALQTCZ-UHFFFAOYSA-N 2 0 290.367 -0.651 20 0 CBADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568267881 334810730 /nfs/dbraw/zinc/81/07/30/334810730.db2.gz NWACLHHXCOHABE-RVMXOQNASA-N 2 0 294.399 -0.609 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000568766023 334839959 /nfs/dbraw/zinc/83/99/59/334839959.db2.gz GHWJXQPCIWMUBK-AAEUAGOBSA-N 2 0 270.377 -0.717 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000569220641 334862036 /nfs/dbraw/zinc/86/20/36/334862036.db2.gz ZXOYXZPMZKYADU-AXFHLTTASA-N 2 0 271.361 -0.147 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000569220644 334862069 /nfs/dbraw/zinc/86/20/69/334862069.db2.gz ZXOYXZPMZKYADU-VWYCJHECSA-N 2 0 271.361 -0.147 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569225423 334862159 /nfs/dbraw/zinc/86/21/59/334862159.db2.gz NDPDUEIRABDRFX-DGCLKSJQSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000572638835 334868574 /nfs/dbraw/zinc/86/85/74/334868574.db2.gz DARZVVYLRXRTKE-RWMBFGLXSA-N 2 0 266.389 -0.510 20 0 CBADRP CC(C)([NH3+])C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000572716535 334873676 /nfs/dbraw/zinc/87/36/76/334873676.db2.gz XDAISQOEJQHUNU-VXGBXAGGSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC[NH2+]1 ZINC000572839673 334882856 /nfs/dbraw/zinc/88/28/56/334882856.db2.gz ZGSZGJDUIQOADX-IHRRRGAJSA-N 2 0 280.416 -0.119 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000572959267 334894827 /nfs/dbraw/zinc/89/48/27/334894827.db2.gz BBHAANSZSNOYES-NXEZZACHSA-N 2 0 277.315 -0.132 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000576359432 335194404 /nfs/dbraw/zinc/19/44/04/335194404.db2.gz AZUGUBBFICACJQ-JHJVBQTASA-N 2 0 294.399 -0.369 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCN2C)[C@@H](C)C[NH2+]1 ZINC000576374239 335196175 /nfs/dbraw/zinc/19/61/75/335196175.db2.gz VNCDZBKVDQYTKA-WOPDTQHZSA-N 2 0 269.393 -0.718 20 0 CBADRP C1C[C@@H]([C@H]2COCC[NH2+]2)[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000576399517 335198853 /nfs/dbraw/zinc/19/88/53/335198853.db2.gz MUEVPHQCOWDXRZ-WCQYUDONSA-N 3 0 251.374 -0.049 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000576466868 335207734 /nfs/dbraw/zinc/20/77/34/335207734.db2.gz QMTYUWXWEOINDN-GFCCVEGCSA-N 2 0 277.372 -0.089 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000576517705 335213784 /nfs/dbraw/zinc/21/37/84/335213784.db2.gz UZNXMHHGZXOLLK-DCQANWLSSA-N 2 0 275.356 -0.245 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000576581839 335221673 /nfs/dbraw/zinc/22/16/73/335221673.db2.gz RJWRYSHZLCEFRZ-GHMZBOCLSA-N 2 0 270.377 -0.845 20 0 CBADRP CN(C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)[C@@H]1CC[NH2+]C1 ZINC000576753823 335243345 /nfs/dbraw/zinc/24/33/45/335243345.db2.gz ZKRLGBZGAHFYKA-VHSXEESVSA-N 2 0 263.345 -0.080 20 0 CBADRP CC[C@@H](C)NC(=O)CCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000576807513 335249732 /nfs/dbraw/zinc/24/97/32/335249732.db2.gz ZHGIZZVZJARXJH-VXGBXAGGSA-N 2 0 299.419 -0.425 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000576808656 335249993 /nfs/dbraw/zinc/24/99/93/335249993.db2.gz KHTUOJIGVIJRTB-NNYUYHANSA-N 2 0 250.346 -0.260 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000576808657 335250025 /nfs/dbraw/zinc/25/00/25/335250025.db2.gz KHTUOJIGVIJRTB-WYUUTHIRSA-N 2 0 250.346 -0.260 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000576821842 335251967 /nfs/dbraw/zinc/25/19/67/335251967.db2.gz ARZQEWBIUDMBFG-CMPLNLGQSA-N 2 0 292.387 -0.070 20 0 CBADRP [NH3+]C1(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000576863388 335257078 /nfs/dbraw/zinc/25/70/78/335257078.db2.gz LISJBFFPUMEUML-QMMMGPOBSA-N 2 0 280.294 -0.570 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)[C@H]([NH3+])CCC(=O)OC ZINC000576871292 335258040 /nfs/dbraw/zinc/25/80/40/335258040.db2.gz AJZTUCWAYDQXCX-SECBINFHSA-N 2 0 259.350 -0.099 20 0 CBADRP CC[NH2+]CCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000576986769 335273952 /nfs/dbraw/zinc/27/39/52/335273952.db2.gz WRUMQCHHSHRSAJ-LLVKDONJSA-N 2 0 270.377 -0.640 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCN2CCOC[C@@H]2C)C1 ZINC000580559613 335281051 /nfs/dbraw/zinc/28/10/51/335281051.db2.gz RNYAEEUNVPAALJ-SDDRHHMPSA-N 2 0 271.361 -0.800 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000577055210 335291934 /nfs/dbraw/zinc/29/19/34/335291934.db2.gz CRDKZPBMRBHMDY-LLVKDONJSA-N 2 0 270.377 -0.783 20 0 CBADRP C[C@H](C(=O)N1CCCCC1)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000577077301 335296504 /nfs/dbraw/zinc/29/65/04/335296504.db2.gz IPIVJUXAKFFKHJ-JHJVBQTASA-N 2 0 294.399 -0.369 20 0 CBADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](O)COC)CC1 ZINC000577099096 335299939 /nfs/dbraw/zinc/29/99/39/335299939.db2.gz VPHXAXCPSXYLCR-ZIAGYGMSSA-N 2 0 273.421 -0.143 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000577106598 335301082 /nfs/dbraw/zinc/30/10/82/335301082.db2.gz GITWXUJOBKUQCX-AWEZNQCLSA-N 2 0 274.368 -0.077 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000580631762 335306939 /nfs/dbraw/zinc/30/69/39/335306939.db2.gz HLMNKOTUEFGFLH-GFCCVEGCSA-N 2 0 299.419 -0.552 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)[NH+](C)C ZINC000577230289 335327124 /nfs/dbraw/zinc/32/71/24/335327124.db2.gz ZMBPSJJSEVSHGS-MNOVXSKESA-N 2 0 272.393 -0.491 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000577270576 335332601 /nfs/dbraw/zinc/33/26/01/335332601.db2.gz NEFKJEMIQRAJBL-RTXFEEFZSA-N 2 0 294.399 -0.465 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000577389752 335341075 /nfs/dbraw/zinc/34/10/75/335341075.db2.gz PVWKDLOMJHQJLD-UHFFFAOYSA-N 2 0 272.393 -0.358 20 0 CBADRP C[C@@H]1CN(C[C@@H](O)C[NH2+][C@@H]2C=C[C@H](CO)C2)C[C@H](C)O1 ZINC000577396769 335348254 /nfs/dbraw/zinc/34/82/54/335348254.db2.gz ZQPRXKOXJWYZSW-ZQNQSHIBSA-N 2 0 284.400 -0.017 20 0 CBADRP O=C(Cn1ccnc1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000577404338 335349249 /nfs/dbraw/zinc/34/92/49/335349249.db2.gz JVOOXSZSUWWDAR-GFCCVEGCSA-N 2 0 266.345 -0.154 20 0 CBADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000577530749 335365919 /nfs/dbraw/zinc/36/59/19/335365919.db2.gz NVBZGQYHTLILFR-GRYCIOLGSA-N 2 0 296.415 -0.219 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)NCC1=CC[NH2+]CC1 ZINC000577601562 335376373 /nfs/dbraw/zinc/37/63/73/335376373.db2.gz VOZQGUQIWXSVRE-GFCCVEGCSA-N 2 0 253.346 -0.209 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000577608469 335377600 /nfs/dbraw/zinc/37/76/00/335377600.db2.gz OMKIPTKMVKOLEF-RWMBFGLXSA-N 2 0 267.373 -0.131 20 0 CBADRP O=C1CCCN1[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000577634115 335383371 /nfs/dbraw/zinc/38/33/71/335383371.db2.gz CXIPZYDXKBGXNZ-CQSZACIVSA-N 2 0 280.416 -0.022 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN(CC(N)=O)C(C)C ZINC000577699840 335390185 /nfs/dbraw/zinc/39/01/85/335390185.db2.gz QJZMFLXMEYALKZ-NSHDSACASA-N 2 0 261.366 -0.879 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000577727954 335393049 /nfs/dbraw/zinc/39/30/49/335393049.db2.gz JXTWAUGAEFCDHQ-NXEZZACHSA-N 2 0 257.334 -0.475 20 0 CBADRP Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)CC[NH3+])cn1 ZINC000577727604 335393173 /nfs/dbraw/zinc/39/31/73/335393173.db2.gz STLCYKWULSATSJ-RYUDHWBXSA-N 2 0 283.351 -0.203 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000577747861 335396662 /nfs/dbraw/zinc/39/66/62/335396662.db2.gz CRWCUSQGNXIBGL-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP COCC[NH2+]CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000578131126 335511427 /nfs/dbraw/zinc/51/14/27/335511427.db2.gz DOLWSNONHGYFHK-FOSCPWQOSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000578490140 335640066 /nfs/dbraw/zinc/64/00/66/335640066.db2.gz NVPDUGFIBJAVPV-QJPTWQEYSA-N 2 0 269.393 -0.718 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000578507465 335642533 /nfs/dbraw/zinc/64/25/33/335642533.db2.gz RUFWTDCDQAOMBM-QWRGUYRKSA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000578507466 335642651 /nfs/dbraw/zinc/64/26/51/335642651.db2.gz RUFWTDCDQAOMBM-WDEREUQCSA-N 2 0 296.415 -0.029 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000578509023 335642810 /nfs/dbraw/zinc/64/28/10/335642810.db2.gz OQJCLVCRANGJHO-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CCCO1 ZINC000578890895 335686132 /nfs/dbraw/zinc/68/61/32/335686132.db2.gz WZGHEDASXHQAEG-YRGRVCCFSA-N 2 0 267.373 -0.048 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)CC1CC[NH2+]CC1 ZINC000579224883 335723318 /nfs/dbraw/zinc/72/33/18/335723318.db2.gz MFSIULCGUQFUPM-UHFFFAOYSA-N 2 0 282.388 -0.734 20 0 CBADRP C[NH2+][C@@H](C(=O)N1CC[C@H]([NH2+]C)C1)c1cnn(C)c1 ZINC000579351095 335737644 /nfs/dbraw/zinc/73/76/44/335737644.db2.gz BAFUFVOODLIFSE-WDEREUQCSA-N 2 0 251.334 -0.499 20 0 CBADRP [NH3+]CCCCC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000579471952 335766818 /nfs/dbraw/zinc/76/68/18/335766818.db2.gz MOIWUPWMJNOWAC-ZDUSSCGKSA-N 2 0 296.415 -0.214 20 0 CBADRP CCC[NH2+]CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000579590281 335815403 /nfs/dbraw/zinc/81/54/03/335815403.db2.gz VDCHMXQQDDYULS-NSHDSACASA-N 2 0 280.376 -0.241 20 0 CBADRP COc1ncccc1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000579827254 335899576 /nfs/dbraw/zinc/89/95/76/335899576.db2.gz KHFYJDIGSFHDBD-AWEZNQCLSA-N 2 0 294.399 -0.212 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000580775400 335965357 /nfs/dbraw/zinc/96/53/57/335965357.db2.gz VECCSQXSUOERQQ-LOWVWBTDSA-N 2 0 282.388 -0.704 20 0 CBADRP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000581061071 336002027 /nfs/dbraw/zinc/00/20/27/336002027.db2.gz FKUMGDXYBANNLH-NNYUYHANSA-N 2 0 252.362 -0.012 20 0 CBADRP C[C@H]1OCC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@H]1C ZINC000380600201 336003517 /nfs/dbraw/zinc/00/35/17/336003517.db2.gz ZXQWUECQIWZBHI-NWDGAFQWSA-N 2 0 255.362 -0.083 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](CC2CC2)CC1 ZINC000380604503 336004258 /nfs/dbraw/zinc/00/42/58/336004258.db2.gz FOGFWZLKLDNICT-HNNXBMFYSA-N 2 0 285.432 -0.047 20 0 CBADRP C[C@@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC[NH2+]1 ZINC000581189510 336021620 /nfs/dbraw/zinc/02/16/20/336021620.db2.gz UFNDNFGQDACWTM-ZJUUUORDSA-N 2 0 263.345 -0.080 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N(CCN1CCOCC1)CC(=O)OC ZINC000581193361 336022456 /nfs/dbraw/zinc/02/24/56/336022456.db2.gz JCGUCCPNHUFZAI-LLVKDONJSA-N 2 0 287.360 -0.943 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000581193981 336022776 /nfs/dbraw/zinc/02/27/76/336022776.db2.gz ZCUKCAIDMUNJGT-LOWVWBTDSA-N 2 0 284.404 -0.471 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000581193982 336022797 /nfs/dbraw/zinc/02/27/97/336022797.db2.gz ZCUKCAIDMUNJGT-MDZLAQPJSA-N 2 0 284.404 -0.471 20 0 CBADRP COC(=O)CCNC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000581311233 336046042 /nfs/dbraw/zinc/04/60/42/336046042.db2.gz QDKFYZDXGJWIEQ-JTQLQIEISA-N 2 0 271.361 -0.275 20 0 CBADRP COC[C@]1(CNC(=O)[C@]2(COC)CC[NH2+]C2)CCC[NH2+]1 ZINC000581364757 336061771 /nfs/dbraw/zinc/06/17/71/336061771.db2.gz HLMAWZIONURKEJ-ZIAGYGMSSA-N 2 0 285.388 -0.503 20 0 CBADRP COC[C@]1(CNC(=O)[C@@]2(COC)CC[NH2+]C2)CCC[NH2+]1 ZINC000581364756 336061775 /nfs/dbraw/zinc/06/17/75/336061775.db2.gz HLMAWZIONURKEJ-UONOGXRCSA-N 2 0 285.388 -0.503 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000581427660 336075362 /nfs/dbraw/zinc/07/53/62/336075362.db2.gz CYAQKQVZZODEJA-RYUDHWBXSA-N 2 0 271.409 -0.293 20 0 CBADRP O=C(C[NH2+]C1CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000581427993 336075793 /nfs/dbraw/zinc/07/57/93/336075793.db2.gz XZSYKSSQSAOJMR-LBPRGKRZSA-N 2 0 252.362 -0.756 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000382974058 336100494 /nfs/dbraw/zinc/10/04/94/336100494.db2.gz SAPZSLYSBCIZPI-GFCCVEGCSA-N 2 0 268.405 -0.119 20 0 CBADRP OCC(CO)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000581556544 336102290 /nfs/dbraw/zinc/10/22/90/336102290.db2.gz KNDZZDBDWOVPOA-UHFFFAOYSA-N 2 0 280.368 -0.038 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000581716184 336136029 /nfs/dbraw/zinc/13/60/29/336136029.db2.gz QLPIIHATHHECPK-VXGBXAGGSA-N 3 0 271.409 -0.212 20 0 CBADRP CCN(CC)C(=O)CCC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000581725080 336137823 /nfs/dbraw/zinc/13/78/23/336137823.db2.gz RIMGWYXRFJXGAP-GFCCVEGCSA-N 2 0 284.404 -0.264 20 0 CBADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NC2C[NH2+]C2)([NH+](C)C)C1 ZINC000581874596 336156384 /nfs/dbraw/zinc/15/63/84/336156384.db2.gz TYDVZTAPFXVEBB-IAQYHMDHSA-N 2 0 296.415 -0.299 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)COC1CCC([NH3+])CC1 ZINC000581883590 336159270 /nfs/dbraw/zinc/15/92/70/336159270.db2.gz OJCJTWCFASNHCS-OTTFEQOBSA-N 2 0 284.404 -0.707 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000581941563 336173252 /nfs/dbraw/zinc/17/32/52/336173252.db2.gz QVLMMZAENITPPY-ZYHUDNBSSA-N 2 0 282.388 -0.417 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000581955468 336179073 /nfs/dbraw/zinc/17/90/73/336179073.db2.gz LVAULISYTBEONA-QWHCGFSZSA-N 2 0 294.399 -0.449 20 0 CBADRP C[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000354694749 533891598 /nfs/dbraw/zinc/89/15/98/533891598.db2.gz QTPKLFYMSIERBI-AAEUAGOBSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[NH+](CC)CCN(C(=O)C[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000566678789 517639282 /nfs/dbraw/zinc/63/92/82/517639282.db2.gz JWAKXSZVUNSJAL-LLVKDONJSA-N 2 0 291.417 -0.697 20 0 CBADRP C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000157224886 523759966 /nfs/dbraw/zinc/75/99/66/523759966.db2.gz GVRMKCNEYQZHAA-NEPJUHHUSA-N 2 0 255.362 -0.443 20 0 CBADRP CCC[NH+]1CCC(N2CCN(C(=O)C[NH3+])CC2)CC1 ZINC000378205656 528197328 /nfs/dbraw/zinc/19/73/28/528197328.db2.gz NPHLBMBAVRVPNA-UHFFFAOYSA-N 2 0 268.405 -0.036 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000505899981 529038262 /nfs/dbraw/zinc/03/82/62/529038262.db2.gz BVBXREPAGPOEAT-UMNHJUIQSA-N 2 0 270.377 -0.705 20 0 CBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](C)C[NH3+])CC1 ZINC000357234546 535705216 /nfs/dbraw/zinc/70/52/16/535705216.db2.gz AYHOHZSPBSORAF-QWHCGFSZSA-N 2 0 270.421 -0.029 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]([NH3+])COC)CC1 ZINC000357221672 535728376 /nfs/dbraw/zinc/72/83/76/535728376.db2.gz CFMNNBAMPKSGSF-NWDGAFQWSA-N 2 0 272.393 -0.898 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]([NH3+])COC)CC1 ZINC000357221675 535739434 /nfs/dbraw/zinc/73/94/34/535739434.db2.gz CFMNNBAMPKSGSF-VXGBXAGGSA-N 2 0 272.393 -0.898 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@H]1C[N@@H+]2CCN1CCC2)C1CC1 ZINC000356290740 535845838 /nfs/dbraw/zinc/84/58/38/535845838.db2.gz DERJFSTZCBOPDJ-CQSZACIVSA-N 2 0 280.416 -0.071 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000729529206 582146895 /nfs/dbraw/zinc/14/68/95/582146895.db2.gz NELNDSSBZZSGNL-YNEHKIRRSA-N 2 0 267.373 -0.083 20 0 CBADRP C[C@@H](O)C[NH+]1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000729929951 582148374 /nfs/dbraw/zinc/14/83/74/582148374.db2.gz FEPIPHYNWLYBGA-ZIAGYGMSSA-N 2 0 271.405 -0.559 20 0 CBADRP CC[NH+](C/C=C\C[N@@H+](CC)CC(=O)NC)CC(=O)NC ZINC000741787519 582271007 /nfs/dbraw/zinc/27/10/07/582271007.db2.gz QYQBKNRUPGVQPK-FPLPWBNLSA-N 2 0 284.404 -0.322 20 0 CBADRP CC[C@@H](CO)[NH+]1CCN(C(=S)NCC[NH+](C)C)CC1 ZINC000743018268 582275904 /nfs/dbraw/zinc/27/59/04/582275904.db2.gz MUKVPNBOONXRTI-LBPRGKRZSA-N 2 0 288.461 -0.189 20 0 CBADRP C[NH+](C)CCCNC(=S)NCCN1CC[NH+](C)CC1 ZINC000753979177 582298259 /nfs/dbraw/zinc/29/82/59/582298259.db2.gz LUMRYXYXBUNKJD-UHFFFAOYSA-N 2 0 287.477 -0.350 20 0 CBADRP NC(=O)C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000754498529 582299484 /nfs/dbraw/zinc/29/94/84/582299484.db2.gz LQGPGWUIOUGNBG-ZIAGYGMSSA-N 2 0 299.415 -0.297 20 0 CBADRP C[NH+](C)CCCCC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000762715436 582318023 /nfs/dbraw/zinc/31/80/23/582318023.db2.gz HEQPWHFSYLNZOW-CYBMUJFWSA-N 2 0 257.378 -0.099 20 0 CBADRP C[NH+](C)CCNC(=S)NCC[N@@H+]1CCCOCC1 ZINC000782210901 582367887 /nfs/dbraw/zinc/36/78/87/582367887.db2.gz VZLKSXABVDDSQN-UHFFFAOYSA-N 2 0 274.434 -0.266 20 0 CBADRP CNC(=O)[C@]1(C)CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000797525456 582413692 /nfs/dbraw/zinc/41/36/92/582413692.db2.gz MXWHMTAICZMQMM-TZMCWYRMSA-N 2 0 269.389 -0.099 20 0 CBADRP CN(CCC[N@H+](C)[C@H]1CCC(=O)NC1=O)CC[NH+](C)C ZINC000808781765 582444520 /nfs/dbraw/zinc/44/45/20/582444520.db2.gz OYNVIZIXHYOEMB-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818612091 582512928 /nfs/dbraw/zinc/51/29/28/582512928.db2.gz NSGHKQXWCVPJCN-WCQYABFASA-N 2 0 253.346 -0.281 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818612068 582512943 /nfs/dbraw/zinc/51/29/43/582512943.db2.gz NSGHKQXWCVPJCN-AAEUAGOBSA-N 2 0 253.346 -0.281 20 0 CBADRP CON(C)C(=O)CC[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000819034770 582525071 /nfs/dbraw/zinc/52/50/71/582525071.db2.gz RIADUXKZOCBQQZ-GFCCVEGCSA-N 2 0 272.393 -0.378 20 0 CBADRP CO[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C(F)(F)F ZINC000819070391 582526001 /nfs/dbraw/zinc/52/60/01/582526001.db2.gz VEBNABYRYUTNTR-WDEREUQCSA-N 2 0 299.337 -0.238 20 0 CBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[NH+]1CCCC1 ZINC000824030688 582685723 /nfs/dbraw/zinc/68/57/23/582685723.db2.gz KVWXHOFYPAENDR-GFCCVEGCSA-N 2 0 282.388 -0.339 20 0 CBADRP C[NH+](C)C1(C(=O)N2CCCN(CC(N)=O)CC2)CC1 ZINC000826075527 582758118 /nfs/dbraw/zinc/75/81/18/582758118.db2.gz WKPQVUHFXNHDIQ-UHFFFAOYSA-N 2 0 268.361 -0.900 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000829287020 582884679 /nfs/dbraw/zinc/88/46/79/582884679.db2.gz NOKYWPLWKSOWSK-ZYHUDNBSSA-N 2 0 258.341 -0.950 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CCO ZINC000829749128 582897410 /nfs/dbraw/zinc/89/74/10/582897410.db2.gz DAWCYJZIXUKABF-GFCCVEGCSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@]1(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH2+]C1 ZINC000831031361 582950808 /nfs/dbraw/zinc/95/08/08/582950808.db2.gz OJTOBBMSBKNHAB-BZPMIXESSA-N 2 0 282.388 -0.099 20 0 CBADRP C[C@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)[C@@H](C)C[NH2+]1 ZINC000831539950 582985349 /nfs/dbraw/zinc/98/53/49/582985349.db2.gz BTUWFXDYWFLCJC-IUCAKERBSA-N 2 0 263.345 -0.122 20 0 CBADRP [NH3+]CCOc1cccc(NC(=O)[C@H]2C[NH2+]CCO2)c1 ZINC000832606971 583032227 /nfs/dbraw/zinc/03/22/27/583032227.db2.gz QVIQZCVAZPLSEP-GFCCVEGCSA-N 2 0 265.313 -0.049 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000832828504 583049471 /nfs/dbraw/zinc/04/94/71/583049471.db2.gz DDOBNBSLHVFBEM-SECBINFHSA-N 2 0 263.345 -0.121 20 0 CBADRP CN1CCN(C(=O)CCCCCC[NH3+])[C@@H](C[NH3+])C1 ZINC000834299221 583119843 /nfs/dbraw/zinc/11/98/43/583119843.db2.gz MWGQLLGNLUMDQG-LBPRGKRZSA-N 2 0 256.394 -0.003 20 0 CBADRP C[NH2+][C@H](C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)c1cnn(C)c1 ZINC000834316822 583120278 /nfs/dbraw/zinc/12/02/78/583120278.db2.gz LCGGSYXWOIXMNY-USWWRNFRSA-N 2 0 281.360 -0.745 20 0 CBADRP C[NH2+][C@H](C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)c1cnn(C)c1 ZINC000834316818 583120290 /nfs/dbraw/zinc/12/02/90/583120290.db2.gz LCGGSYXWOIXMNY-DLOVCJGASA-N 2 0 281.360 -0.745 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC2(C1)CC[NH2+]CC2 ZINC000834448610 583123273 /nfs/dbraw/zinc/12/32/73/583123273.db2.gz SYIAELSVXDJJBO-NSHDSACASA-N 2 0 253.346 -0.423 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000834673640 583134857 /nfs/dbraw/zinc/13/48/57/583134857.db2.gz SVJMRQIWGAHRQA-STQMWFEESA-N 2 0 296.415 -0.040 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000834861187 583137963 /nfs/dbraw/zinc/13/79/63/583137963.db2.gz GGSAWCNUKYFPQD-RKDXNWHRSA-N 2 0 263.345 -0.087 20 0 CBADRP CN(C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC([NH3+])C1 ZINC000841790482 583174083 /nfs/dbraw/zinc/17/40/83/583174083.db2.gz XIBNWFVLYXLXEN-POOIEITISA-N 2 0 282.388 -0.019 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H]1CCC[NH2+]C1 ZINC000841790760 583174635 /nfs/dbraw/zinc/17/46/35/583174635.db2.gz JDIBMNFFJJBZMD-UPJWGTAASA-N 2 0 282.388 -0.099 20 0 CBADRP C[C@@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000841849254 583174842 /nfs/dbraw/zinc/17/48/42/583174842.db2.gz FHPYYBBJFNOJRZ-WOPDTQHZSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)CO[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000841850194 583175186 /nfs/dbraw/zinc/17/51/86/583175186.db2.gz CWYSUDOCYUMNSG-SRVKXCTJSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000841854705 583175189 /nfs/dbraw/zinc/17/51/89/583175189.db2.gz GJYMTPMDRQDKQY-GRYCIOLGSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000841851816 583175258 /nfs/dbraw/zinc/17/52/58/583175258.db2.gz PPPBNDLUYCFIBA-GRYCIOLGSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000841850195 583175336 /nfs/dbraw/zinc/17/53/36/583175336.db2.gz CWYSUDOCYUMNSG-TUAOUCFPSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000842014296 583177626 /nfs/dbraw/zinc/17/76/26/583177626.db2.gz BUWQELYUHKIDIL-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])[NH+]1CCCCC1 ZINC000842014839 583177698 /nfs/dbraw/zinc/17/76/98/583177698.db2.gz FLVOXXQPEKZIPS-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[NH+]1CCCCC1 ZINC000842016073 583178026 /nfs/dbraw/zinc/17/80/26/583178026.db2.gz RIYVMLNJDGKQTI-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[NH+]1CCCCC1 ZINC000842015836 583178090 /nfs/dbraw/zinc/17/80/90/583178090.db2.gz ONBSZXGPHHFXFX-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)[NH+]1CCCCC1 ZINC000842015447 583178108 /nfs/dbraw/zinc/17/81/08/583178108.db2.gz LMJDNJDEOFSXCQ-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842512264 583184690 /nfs/dbraw/zinc/18/46/90/583184690.db2.gz JEYZBQLTYYWOMO-IUODEOHRSA-N 2 0 294.399 -0.401 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@]3(F)CC[NH2+]C3)C[C@H]2[NH3+])cn1 ZINC000842514614 583184948 /nfs/dbraw/zinc/18/49/48/583184948.db2.gz GDKOOKBJWZHWKW-LOWVWBTDSA-N 2 0 281.335 -0.625 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000842517803 583185279 /nfs/dbraw/zinc/18/52/79/583185279.db2.gz OXEBODAUJVHUKF-TUAOUCFPSA-N 2 0 253.346 -0.567 20 0 CBADRP CC[C@H](C)CN1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000843054702 583198632 /nfs/dbraw/zinc/19/86/32/583198632.db2.gz CGWRISAMKSTONB-NSHDSACASA-N 2 0 275.418 -0.048 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000843339240 583210501 /nfs/dbraw/zinc/21/05/01/583210501.db2.gz YSUGMNMGRFVSBN-GFCCVEGCSA-N 2 0 258.341 -0.948 20 0 CBADRP C[N@H+](CC(=O)N1CCNC(=O)C1)C1CCC([NH3+])CC1 ZINC000843353503 583211764 /nfs/dbraw/zinc/21/17/64/583211764.db2.gz AIVRAKIXQJDAJG-UHFFFAOYSA-N 2 0 268.361 -0.854 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843355311 583211941 /nfs/dbraw/zinc/21/19/41/583211941.db2.gz QULHKOVWGFIWBC-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP COC(=O)CCNC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364424 583212624 /nfs/dbraw/zinc/21/26/24/583212624.db2.gz BMHVRQOVWSYBBV-UHFFFAOYSA-N 2 0 283.372 -0.259 20 0 CBADRP COC(=O)CC[N@H+](CCN1CC[NH2+]CC1)C1CCOCC1 ZINC000843389081 583214722 /nfs/dbraw/zinc/21/47/22/583214722.db2.gz PRKDEYUWEKYAJZ-UHFFFAOYSA-N 2 0 299.415 -0.064 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000843461384 583222683 /nfs/dbraw/zinc/22/26/83/583222683.db2.gz USAQOORTUIBGGN-OCCSQVGLSA-N 2 0 267.373 -0.033 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843470242 583224438 /nfs/dbraw/zinc/22/44/38/583224438.db2.gz YRXSTNUDHVUHJF-WOPDTQHZSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843470240 583224451 /nfs/dbraw/zinc/22/44/51/583224451.db2.gz YRXSTNUDHVUHJF-IJLUTSLNSA-N 2 0 255.362 -0.131 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843473639 583225035 /nfs/dbraw/zinc/22/50/35/583225035.db2.gz JBPJCZKGKMEJJV-DGCLKSJQSA-N 2 0 253.346 -0.423 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000843475886 583225256 /nfs/dbraw/zinc/22/52/56/583225256.db2.gz BCEUJPUGJGRBFE-CABZTGNLSA-N 2 0 273.308 -0.949 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000843478536 583225909 /nfs/dbraw/zinc/22/59/09/583225909.db2.gz OLLGWPQVWSIUAI-GHMZBOCLSA-N 2 0 269.345 -0.523 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000843484849 583227367 /nfs/dbraw/zinc/22/73/67/583227367.db2.gz DUIQVNWQKGCFAC-AWEZNQCLSA-N 2 0 299.415 -0.064 20 0 CBADRP CC[NH2+]CC(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC000843494970 583229217 /nfs/dbraw/zinc/22/92/17/583229217.db2.gz XOXJEWZZUBSCNX-UHFFFAOYSA-N 2 0 285.388 -0.013 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844170946 583256265 /nfs/dbraw/zinc/25/62/65/583256265.db2.gz OCLZFJLSQLSWJL-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1C[NH2+]CCO1 ZINC000844171760 583256290 /nfs/dbraw/zinc/25/62/90/583256290.db2.gz SDSXLUZIQVFASP-UONOGXRCSA-N 2 0 297.399 -0.266 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)NCCC[NH+]1CCC(O)CC1 ZINC000844172815 583256722 /nfs/dbraw/zinc/25/67/22/583256722.db2.gz ZYQFGVFFZLBZEY-AWEZNQCLSA-N 2 0 299.415 -0.282 20 0 CBADRP CC[NH2+]CC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000844189219 583259865 /nfs/dbraw/zinc/25/98/65/583259865.db2.gz JKTDTTLIRQFTKM-UHFFFAOYSA-N 2 0 256.394 -0.262 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844192254 583259932 /nfs/dbraw/zinc/25/99/32/583259932.db2.gz WFTWBQWMKHJPQQ-QWHCGFSZSA-N 2 0 284.404 -0.883 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000844192449 583260677 /nfs/dbraw/zinc/26/06/77/583260677.db2.gz SEIJYPOAUZIVFG-LBPRGKRZSA-N 2 0 258.341 -0.948 20 0 CBADRP C[NH2+]Cc1ccccc1CNC(=O)N(CC[NH3+])CCO ZINC000846205977 583355520 /nfs/dbraw/zinc/35/55/20/583355520.db2.gz MJJWGCLWOPOMOO-UHFFFAOYSA-N 2 0 280.372 -0.131 20 0 CBADRP [NH3+]C[C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000846663167 583381209 /nfs/dbraw/zinc/38/12/09/583381209.db2.gz DTMPZBODBGBHIX-MDZLAQPJSA-N 2 0 253.346 -0.580 20 0 CBADRP C[N@@H+]1CCC[C@@H](CN[C@@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000846701397 583384873 /nfs/dbraw/zinc/38/48/73/583384873.db2.gz FQGXWTPZJKCWSO-NWDGAFQWSA-N 2 0 283.372 -0.572 20 0 CBADRP [NH3+]CCCCCCNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848603922 583451405 /nfs/dbraw/zinc/45/14/05/583451405.db2.gz CDGMRESSBDCUBZ-QWHCGFSZSA-N 2 0 284.404 -0.034 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848614796 583452931 /nfs/dbraw/zinc/45/29/31/583452931.db2.gz XPQLARDNMVUCMF-SDDRHHMPSA-N 2 0 282.388 -0.417 20 0 CBADRP C[NH+]1CCC(NC(=S)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000848650558 583453662 /nfs/dbraw/zinc/45/36/62/583453662.db2.gz PENIJEJUALRNBL-QWHCGFSZSA-N 2 0 298.456 -0.294 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)N2CCOCC2)C1 ZINC000848718336 583456911 /nfs/dbraw/zinc/45/69/11/583456911.db2.gz IXPHGTDNFOPMLN-VXGBXAGGSA-N 2 0 291.417 -0.492 20 0 CBADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCS(=O)(=O)N2CCOCC2)C1 ZINC000848718335 583457078 /nfs/dbraw/zinc/45/70/78/583457078.db2.gz IXPHGTDNFOPMLN-RYUDHWBXSA-N 2 0 291.417 -0.492 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CCOCC1 ZINC000848980716 583463853 /nfs/dbraw/zinc/46/38/53/583463853.db2.gz LAWPRVCYLVPJQS-CYBMUJFWSA-N 2 0 283.420 -0.083 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)N(C)C ZINC000848982048 583463978 /nfs/dbraw/zinc/46/39/78/583463978.db2.gz OPQSFWQKFCDQRI-JTQLQIEISA-N 2 0 255.366 -0.327 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=[NH2+])NC2CC2)C1 ZINC000848999187 583465401 /nfs/dbraw/zinc/46/54/01/583465401.db2.gz ATTVPCMWNXZCOI-JTQLQIEISA-N 2 0 267.377 -0.150 20 0 CBADRP CCNC(=[NH2+])NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000849000429 583465812 /nfs/dbraw/zinc/46/58/12/583465812.db2.gz SSTWWABIQIJPSR-JTQLQIEISA-N 2 0 255.366 -0.292 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(CO)COC1 ZINC000849014217 583468180 /nfs/dbraw/zinc/46/81/80/583468180.db2.gz OZTOIHAWZYYLTA-NSHDSACASA-N 2 0 270.377 -0.406 20 0 CBADRP CN(CCCNC(=[NH2+])N1CCOCC1)CC[NH+](C)C ZINC000849028147 583469586 /nfs/dbraw/zinc/46/95/86/583469586.db2.gz GKWOESIYECNGSO-UHFFFAOYSA-N 2 0 271.409 -0.274 20 0 CBADRP COC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCCO ZINC000849033851 583469837 /nfs/dbraw/zinc/46/98/37/583469837.db2.gz CBMVBQSZCNVLDR-NWDGAFQWSA-N 2 0 272.393 -0.018 20 0 CBADRP CNC(=[NH2+])NCC(=O)NCC[NH+]1CCCCCC1 ZINC000849031038 583469872 /nfs/dbraw/zinc/46/98/72/583469872.db2.gz SNJOUWJNMVTOLQ-UHFFFAOYSA-N 2 0 255.366 -0.278 20 0 CBADRP [NH2+]=C(NC[C@@H]1CCC[N@H+]1CCCO)N1CCOCC1 ZINC000849034576 583469977 /nfs/dbraw/zinc/46/99/77/583469977.db2.gz YYPIIGCYWFLRRA-LBPRGKRZSA-N 2 0 270.377 -0.310 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CNC(=O)C1 ZINC000849041475 583471443 /nfs/dbraw/zinc/47/14/43/583471443.db2.gz GMXSGOBONMJEEO-WDEREUQCSA-N 2 0 267.377 -0.279 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@](C)(CO)OC ZINC000849048491 583471933 /nfs/dbraw/zinc/47/19/33/583471933.db2.gz IBLPEEWBORERPV-DGCLKSJQSA-N 2 0 272.393 -0.018 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@](C)(CO)OC ZINC000849048495 583472041 /nfs/dbraw/zinc/47/20/41/583472041.db2.gz IBLPEEWBORERPV-YPMHNXCESA-N 2 0 272.393 -0.018 20 0 CBADRP C[NH+](C)CCn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000849136175 583472325 /nfs/dbraw/zinc/47/23/25/583472325.db2.gz DBQZMBTVQNXPPC-UHFFFAOYSA-N 2 0 252.366 -0.413 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000851687290 583521640 /nfs/dbraw/zinc/52/16/40/583521640.db2.gz PTIDIDRLQZYHTM-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000851689937 583522195 /nfs/dbraw/zinc/52/21/95/583522195.db2.gz WBOJNFKCXVXUJD-RYUDHWBXSA-N 2 0 296.415 -0.027 20 0 CBADRP O[C@H](CN1CCC([N@@H+]2CC[C@H](O)C2)CC1)C[NH+]1CCCC1 ZINC000852710295 583550909 /nfs/dbraw/zinc/55/09/09/583550909.db2.gz NGVVGWNXYXCUIH-HOTGVXAUSA-N 2 0 297.443 -0.026 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN([C@@H]2CCC(=O)NC2=O)CCO1 ZINC000852761755 583552262 /nfs/dbraw/zinc/55/22/62/583552262.db2.gz ZSEOBXPZCWWNLU-VXGBXAGGSA-N 2 0 283.372 -0.166 20 0 CBADRP C[NH2+]C[C@@](C)(O)CN1CCC(NC(=O)OC)CC1 ZINC000852761346 583552265 /nfs/dbraw/zinc/55/22/65/583552265.db2.gz KZZXJGPMJCMACL-GFCCVEGCSA-N 2 0 259.350 -0.223 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852790050 583552716 /nfs/dbraw/zinc/55/27/16/583552716.db2.gz NRRFLRZYARSVFR-UWVGGRQHSA-N 2 0 254.334 -0.452 20 0 CBADRP COc1ccccc1[C@H]([NH3+])CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852791748 583552740 /nfs/dbraw/zinc/55/27/40/583552740.db2.gz LQJLIELXIDEJLQ-MWLCHTKSSA-N 2 0 292.339 -0.085 20 0 CBADRP C[NH2+]CC1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852796012 583552958 /nfs/dbraw/zinc/55/29/58/583552958.db2.gz OMLLXXCRFNCJGQ-SNVBAGLBSA-N 2 0 254.334 -0.452 20 0 CBADRP [NH3+]CCCOC1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852798701 583553273 /nfs/dbraw/zinc/55/32/73/583553273.db2.gz NPELNNNRKPJQBQ-NSHDSACASA-N 2 0 284.360 -0.554 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])=NO1 ZINC000852797723 583553330 /nfs/dbraw/zinc/55/33/30/583553330.db2.gz ACDGPZJOQRMDGW-UTLUCORTSA-N 2 0 254.334 -0.276 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852798962 583553356 /nfs/dbraw/zinc/55/33/56/583553356.db2.gz PNKMXYXTXUOHEW-AEJSXWLSSA-N 2 0 254.334 -0.324 20 0 CBADRP C[C@@H]1CCCN(C(=O)C2=NO[C@H](C[NH3+])C2)[C@H]1C[NH3+] ZINC000852798185 583553359 /nfs/dbraw/zinc/55/33/59/583553359.db2.gz HIJOMHOUSOWYEQ-YWVKMMECSA-N 2 0 254.334 -0.324 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CC23CCOCC3)C[C@@H](C)[NH2+]1 ZINC000852824683 583556606 /nfs/dbraw/zinc/55/66/06/583556606.db2.gz DWVJZXZTNPBJRH-IJLUTSLNSA-N 2 0 267.373 -0.036 20 0 CBADRP O=C(NCC[NH2+]C1CC1)[C@@H]1[NH2+]CC12CCOCC2 ZINC000852825762 583557012 /nfs/dbraw/zinc/55/70/12/583557012.db2.gz UVBXUOAXNKMIKQ-NSHDSACASA-N 2 0 253.346 -0.377 20 0 CBADRP CC(C)C[NH+]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852854528 583561037 /nfs/dbraw/zinc/56/10/37/583561037.db2.gz JDKBLCWFJNCBIM-NSHDSACASA-N 2 0 268.361 -0.110 20 0 CBADRP CC(C)C[NH+]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852854527 583561128 /nfs/dbraw/zinc/56/11/28/583561128.db2.gz JDKBLCWFJNCBIM-LLVKDONJSA-N 2 0 268.361 -0.110 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852856289 583561454 /nfs/dbraw/zinc/56/14/54/583561454.db2.gz YBPBSOYJZBRNNP-RYUDHWBXSA-N 2 0 298.387 -0.437 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NCC[NH+]2CCCCC2)=NO1 ZINC000852857544 583561694 /nfs/dbraw/zinc/56/16/94/583561694.db2.gz WWFPXKHFPCRTSU-JTQLQIEISA-N 2 0 254.334 -0.308 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)C2=NO[C@@H](C[NH3+])C2)CCSC1 ZINC000852858634 583562055 /nfs/dbraw/zinc/56/20/55/583562055.db2.gz FKLPSQHWUOOCSJ-SKDRFNHKSA-N 2 0 286.401 -0.357 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)C2=NO[C@H](C[NH3+])C2)CCSC1 ZINC000852858632 583562105 /nfs/dbraw/zinc/56/21/05/583562105.db2.gz FKLPSQHWUOOCSJ-CABZTGNLSA-N 2 0 286.401 -0.357 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CC[NH+](CC3CC3)CC2)=NO1 ZINC000852860983 583562471 /nfs/dbraw/zinc/56/24/71/583562471.db2.gz XGTJABXXYZRVHK-LLVKDONJSA-N 2 0 266.345 -0.356 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)=NO1 ZINC000852860808 583562554 /nfs/dbraw/zinc/56/25/54/583562554.db2.gz VIPZMWOWCWOIDQ-GXSJLCMTSA-N 2 0 266.345 -0.310 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852860628 583562585 /nfs/dbraw/zinc/56/25/85/583562585.db2.gz TUPNWJWOZSSAMT-MNOVXSKESA-N 2 0 268.361 -0.110 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)C2=NO[C@@H](C[NH3+])C2)cn1 ZINC000852862613 583562889 /nfs/dbraw/zinc/56/28/89/583562889.db2.gz DPFCPCCUMRHVSH-SNVBAGLBSA-N 2 0 280.332 -0.513 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852864607 583563593 /nfs/dbraw/zinc/56/35/93/583563593.db2.gz BIVIPVHBSGIUKV-ZJUUUORDSA-N 2 0 254.334 -0.357 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)=NO1 ZINC000852864321 583563640 /nfs/dbraw/zinc/56/36/40/583563640.db2.gz SAGGFTDLMNKIMD-OUAUKWLOSA-N 2 0 282.344 -0.931 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852864606 583563650 /nfs/dbraw/zinc/56/36/50/583563650.db2.gz BIVIPVHBSGIUKV-VHSXEESVSA-N 2 0 254.334 -0.357 20 0 CBADRP CC[N@H+](CCNC(=O)C1=NO[C@H](C[NH3+])C1)C1CC1 ZINC000852864645 583563762 /nfs/dbraw/zinc/56/37/62/583563762.db2.gz CMCADLUVTSBKBV-JTQLQIEISA-N 2 0 254.334 -0.310 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852865148 583564108 /nfs/dbraw/zinc/56/41/08/583564108.db2.gz SLMFQYRLPVWQME-MNOVXSKESA-N 2 0 284.360 -0.683 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852865232 583564134 /nfs/dbraw/zinc/56/41/34/583564134.db2.gz WMMAPXVASQOQBC-LBPRGKRZSA-N 2 0 298.387 -0.293 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852871067 583565037 /nfs/dbraw/zinc/56/50/37/583565037.db2.gz UTKVJOVKFOMGOK-SNVBAGLBSA-N 2 0 272.349 -0.826 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852870791 583565119 /nfs/dbraw/zinc/56/51/19/583565119.db2.gz YEIWPSDZRNOVNG-NXEZZACHSA-N 2 0 254.334 -0.452 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852872396 583565569 /nfs/dbraw/zinc/56/55/69/583565569.db2.gz FVBWRNMLGXEZJL-VXGBXAGGSA-N 2 0 297.403 -0.768 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000852878156 583566455 /nfs/dbraw/zinc/56/64/55/583566455.db2.gz MECZOFPRAHWTCK-DYEKYZERSA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+]CC[C@H]1CCCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852879794 583566737 /nfs/dbraw/zinc/56/67/37/583566737.db2.gz ZMWVDNKHNWMBCY-NXEZZACHSA-N 2 0 254.334 -0.323 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)=NO1 ZINC000852880608 583566762 /nfs/dbraw/zinc/56/67/62/583566762.db2.gz NVIJTQZBYGPQCJ-RYUDHWBXSA-N 2 0 280.372 -0.062 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC3(CC[NH2+]C3)CC2)=NO1 ZINC000852880895 583566766 /nfs/dbraw/zinc/56/67/66/583566766.db2.gz FTYPMKBRVJNINV-JTQLQIEISA-N 2 0 266.345 -0.308 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N[C@@H]2CC23CC[NH2+]CC3)=NO1 ZINC000852881721 583567014 /nfs/dbraw/zinc/56/70/14/583567014.db2.gz OLXMTQQSJFDKHG-PSASIEDQSA-N 2 0 252.318 -0.652 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)C(F)F ZINC000852882015 583567070 /nfs/dbraw/zinc/56/70/70/583567070.db2.gz VRWMIJACRLZGFD-PHDIDXHHSA-N 2 0 250.249 -0.811 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852881648 583567101 /nfs/dbraw/zinc/56/71/01/583567101.db2.gz ZEAREEXTJIAGIR-GFCCVEGCSA-N 2 0 281.356 -0.340 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)=NO1 ZINC000852881996 583567131 /nfs/dbraw/zinc/56/71/31/583567131.db2.gz VBJBOAHPOUAYIP-LPEHRKFASA-N 2 0 252.318 -0.700 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NCCC[C@@H]2CCC[NH2+]2)=NO1 ZINC000852882616 583567367 /nfs/dbraw/zinc/56/73/67/583567367.db2.gz MXCXRZGFNZRVPF-UWVGGRQHSA-N 2 0 254.334 -0.262 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)=NO1 ZINC000852882646 583567387 /nfs/dbraw/zinc/56/73/87/583567387.db2.gz NRPIFXJMUYTREE-UTUOFQBUSA-N 2 0 280.372 -0.062 20 0 CBADRP C[C@@H]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)C[C@H]1C[NH3+] ZINC000852890372 583570052 /nfs/dbraw/zinc/57/00/52/583570052.db2.gz JIDDWFWBCKVNRR-BBBLOLIVSA-N 2 0 254.334 -0.467 20 0 CBADRP C[C@@H]1C[C@H](C)N(C(=O)C2=NO[C@@H](C[NH3+])C2)C[C@H]1C[NH3+] ZINC000852892577 583570382 /nfs/dbraw/zinc/57/03/82/583570382.db2.gz IDCPNABABOAERO-LMLFDSFASA-N 2 0 268.361 -0.078 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC3(CC[NH2+]3)CC2)=NO1 ZINC000852892087 583570458 /nfs/dbraw/zinc/57/04/58/583570458.db2.gz ANHZWACPTPDBQL-VIFPVBQESA-N 2 0 252.318 -0.556 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N[C@H]2CC[NH2+]C23CCCC3)=NO1 ZINC000852893776 583570668 /nfs/dbraw/zinc/57/06/68/583570668.db2.gz JUTSAHIHACYSEF-KOLCDFICSA-N 2 0 266.345 -0.119 20 0 CBADRP [NH3+]Cc1ccc(CNC(=O)C2=NO[C@H](C[NH3+])C2)cc1 ZINC000852894619 583570936 /nfs/dbraw/zinc/57/09/36/583570936.db2.gz LWDQOYOBXJIIDV-NSHDSACASA-N 2 0 262.313 -0.135 20 0 CBADRP O=C(C=C1CC[NH2+]CC1)N1CCOC2(C[NH2+]C2)C1 ZINC000852998347 583576830 /nfs/dbraw/zinc/57/68/30/583576830.db2.gz PIUSRKQCBUOXAL-UHFFFAOYSA-N 2 0 251.330 -0.503 20 0 CBADRP C[C@H](CNC(=O)NCC[C@H](C)[NH3+])C[NH+]1CCN(C)CC1 ZINC000857102604 583664444 /nfs/dbraw/zinc/66/44/44/583664444.db2.gz FARUIEBEWQRNTI-OLZOCXBDSA-N 2 0 285.436 -0.094 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000857111897 583665517 /nfs/dbraw/zinc/66/55/17/583665517.db2.gz ZHXOKXRYCDZCCX-NSHDSACASA-N 2 0 272.393 -0.178 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N1CCN(Cc2nccn2C)CC1 ZINC000857112947 583665786 /nfs/dbraw/zinc/66/57/86/583665786.db2.gz KTXYMYOVGTYFJH-LBPRGKRZSA-N 2 0 294.403 -0.015 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861557432 583770616 /nfs/dbraw/zinc/77/06/16/583770616.db2.gz YLFFMMCAMOXLBA-LLVKDONJSA-N 2 0 260.382 -0.057 20 0 CBADRP CCN(CC[NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000861572686 583771129 /nfs/dbraw/zinc/77/11/29/583771129.db2.gz WOSYGROAOWBZCK-VXGBXAGGSA-N 2 0 270.377 -0.160 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000861574837 583771260 /nfs/dbraw/zinc/77/12/60/583771260.db2.gz ZAXZNNXLVFMLGE-ZDEQEGDKSA-N 2 0 282.388 -0.101 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000861573348 583771291 /nfs/dbraw/zinc/77/12/91/583771291.db2.gz GCBZTTDSRKBTEE-VXGBXAGGSA-N 2 0 271.409 -0.389 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000861574848 583771332 /nfs/dbraw/zinc/77/13/32/583771332.db2.gz ZBTZDCKSLPNYPC-JHJVBQTASA-N 2 0 298.387 -0.863 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000861592579 583771940 /nfs/dbraw/zinc/77/19/40/583771940.db2.gz NRUBCQVILHDEJF-CHWSQXEVSA-N 2 0 285.436 -0.142 20 0 CBADRP CCN(CC[NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000861646009 583775249 /nfs/dbraw/zinc/77/52/49/583775249.db2.gz NMEVIPILCFLNPV-MRVPVSSYSA-N 2 0 250.293 -0.026 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000861645753 583775253 /nfs/dbraw/zinc/77/52/53/583775253.db2.gz IDSDCKRTNUKJIG-SECBINFHSA-N 2 0 280.319 -0.481 20 0 CBADRP [NH3+]C1(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCOCC1 ZINC000861666731 583776596 /nfs/dbraw/zinc/77/65/96/583776596.db2.gz LWAZFPWDNYDKLY-MNOVXSKESA-N 2 0 268.361 -0.502 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000861730060 583782007 /nfs/dbraw/zinc/78/20/07/583782007.db2.gz KJCIQPQGCPOZHZ-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000861731836 583782098 /nfs/dbraw/zinc/78/20/98/583782098.db2.gz GSLNPQCECKFPJI-GFCCVEGCSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000861732136 583782201 /nfs/dbraw/zinc/78/22/01/583782201.db2.gz HUKBKDVBGVFBOT-SNVBAGLBSA-N 2 0 270.377 -0.608 20 0 CBADRP CC[NH+]1CCC(CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000861736273 583782495 /nfs/dbraw/zinc/78/24/95/583782495.db2.gz XTIPJYBJOHPTDT-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000861737164 583782506 /nfs/dbraw/zinc/78/25/06/583782506.db2.gz VYMGUXCRDVUKJG-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000861744142 583783333 /nfs/dbraw/zinc/78/33/33/583783333.db2.gz HIWLGXJEDFOLBR-ZDEQEGDKSA-N 2 0 296.415 -0.158 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000861752269 583784035 /nfs/dbraw/zinc/78/40/35/583784035.db2.gz DJBAVYSBCBSIOP-JFGNBEQYSA-N 2 0 282.388 -0.609 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861763205 583785137 /nfs/dbraw/zinc/78/51/37/583785137.db2.gz LXLDNYQPSCWSSZ-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000861774321 583785681 /nfs/dbraw/zinc/78/56/81/583785681.db2.gz WVADDBMUCBYNSA-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000861774323 583785700 /nfs/dbraw/zinc/78/57/00/583785700.db2.gz WVADDBMUCBYNSA-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000861786716 583786612 /nfs/dbraw/zinc/78/66/12/583786612.db2.gz OSRARINWWITZBA-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP C[NH+](C)C1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCC1 ZINC000862647660 583813494 /nfs/dbraw/zinc/81/34/94/583813494.db2.gz UAMVTUVBGKRUKU-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000863548230 583846091 /nfs/dbraw/zinc/84/60/91/583846091.db2.gz VYAVICJISCFBSI-MNOVXSKESA-N 2 0 259.350 -0.765 20 0 CBADRP O=C1OCCN1CCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000863551219 583846300 /nfs/dbraw/zinc/84/63/00/583846300.db2.gz DRQPOQVPGWALII-LBPRGKRZSA-N 2 0 271.361 -0.125 20 0 CBADRP Cn1ncc(CCC[NH2+]C[C@H](O)C[NH+]2CCCC2)n1 ZINC000863557891 583846768 /nfs/dbraw/zinc/84/67/68/583846768.db2.gz SBNLKTQIVKREAL-ZDUSSCGKSA-N 2 0 267.377 -0.206 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000863751663 583852487 /nfs/dbraw/zinc/85/24/87/583852487.db2.gz NCYDJHXZRMAAEM-GHMZBOCLSA-N 2 0 270.377 -0.655 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000863752389 583852803 /nfs/dbraw/zinc/85/28/03/583852803.db2.gz DLOWPLWOFBLQCE-CHWSQXEVSA-N 2 0 296.415 -0.121 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863753545 583852834 /nfs/dbraw/zinc/85/28/34/583852834.db2.gz YDDIMAOZMNOAKD-LBPRGKRZSA-N 2 0 286.420 -0.162 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000863754974 583853013 /nfs/dbraw/zinc/85/30/13/583853013.db2.gz XVUFAROMYXHDPD-NWDGAFQWSA-N 2 0 282.388 -0.511 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000863763857 583854765 /nfs/dbraw/zinc/85/47/65/583854765.db2.gz KSAINMVXEQAKLO-RYUDHWBXSA-N 2 0 284.404 -0.408 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000863768406 583855246 /nfs/dbraw/zinc/85/52/46/583855246.db2.gz OJZKDUIPBMBNLY-YNEHKIRRSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000863774100 583856000 /nfs/dbraw/zinc/85/60/00/583856000.db2.gz PLUFLMGEBXFUFJ-FZMZJTMJSA-N 2 0 282.388 -0.654 20 0 CBADRP CN1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C(C)(C)C1=O ZINC000864096508 583873874 /nfs/dbraw/zinc/87/38/74/583873874.db2.gz BQMIXCGMENFYCP-LLVKDONJSA-N 2 0 267.373 -0.083 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(CCN3CC[NH2+]CC3)CC[C@@H]21 ZINC000866703361 583927724 /nfs/dbraw/zinc/92/77/24/583927724.db2.gz HQKXUDYBSKBANM-KBPBESRZSA-N 2 0 252.406 -0.082 20 0 CBADRP CN(C)C(=O)CC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712143 583928020 /nfs/dbraw/zinc/92/80/20/583928020.db2.gz RFDJAYZEHGUHKZ-UTUOFQBUSA-N 2 0 296.371 -0.668 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000866709621 583928054 /nfs/dbraw/zinc/92/80/54/583928054.db2.gz SRQCRXPFLNUWJM-QNWHQSFQSA-N 2 0 280.372 -0.537 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC000866708170 583928132 /nfs/dbraw/zinc/92/81/32/583928132.db2.gz DCDWEKNLFHJSSB-QNWHQSFQSA-N 2 0 281.356 -0.110 20 0 CBADRP COC[C@H](C)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714121 583928379 /nfs/dbraw/zinc/92/83/79/583928379.db2.gz GSBMBKKKSVJEMM-YFKTTZPYSA-N 2 0 269.345 -0.112 20 0 CBADRP C[NH2+]CCCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714817 583928393 /nfs/dbraw/zinc/92/83/93/583928393.db2.gz YDROQPCAACKPRW-UTUOFQBUSA-N 2 0 268.361 -0.537 20 0 CBADRP O=C1NCCO[C@@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)[C@@H]12 ZINC000866717907 583928568 /nfs/dbraw/zinc/92/85/68/583928568.db2.gz TZTTZYAGNZOKRU-JHJVBQTASA-N 2 0 267.373 -0.035 20 0 CBADRP CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000866739591 583930089 /nfs/dbraw/zinc/93/00/89/583930089.db2.gz GSFFNUFNTVZKAR-NWDGAFQWSA-N 2 0 293.433 -0.342 20 0 CBADRP C[NH2+]CCN(C)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000866760532 583930813 /nfs/dbraw/zinc/93/08/13/583930813.db2.gz VVDBISBHOVSWPX-UHFFFAOYSA-N 2 0 263.407 -0.047 20 0 CBADRP C[NH2+]CCN(C)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000866760835 583931070 /nfs/dbraw/zinc/93/10/70/583931070.db2.gz ZQFMRKAWEAVSSB-UHFFFAOYSA-N 2 0 292.449 -0.895 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000866767650 583931743 /nfs/dbraw/zinc/93/17/43/583931743.db2.gz FCHPLJQZZAEAKP-PWSUYJOCSA-N 2 0 288.417 -0.791 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000866769855 583931928 /nfs/dbraw/zinc/93/19/28/583931928.db2.gz PXLYYBRBKWVVPT-MNOVXSKESA-N 2 0 291.417 -0.718 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868385514 583976515 /nfs/dbraw/zinc/97/65/15/583976515.db2.gz SZXDDSJLMHUIMT-UPJWGTAASA-N 2 0 294.399 -0.641 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868385512 583976556 /nfs/dbraw/zinc/97/65/56/583976556.db2.gz SZXDDSJLMHUIMT-FRRDWIJNSA-N 2 0 294.399 -0.641 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC[C@@H]21 ZINC000868387149 583976635 /nfs/dbraw/zinc/97/66/35/583976635.db2.gz PXWCOQAAFOBMBG-TUAOUCFPSA-N 2 0 280.372 -0.901 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)CCC1(C)C ZINC000868404827 583977725 /nfs/dbraw/zinc/97/77/25/583977725.db2.gz GQGKTNFKUHEZLZ-UHFFFAOYSA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000868407585 583978160 /nfs/dbraw/zinc/97/81/60/583978160.db2.gz YCLQGJHTLFKBIP-NSHDSACASA-N 2 0 284.404 -0.265 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H](O)C2CC2)C[C@H]1C[NH+](C)C ZINC000870018014 584007359 /nfs/dbraw/zinc/00/73/59/584007359.db2.gz KXHIXJPVENXPDU-MGPQQGTHSA-N 2 0 283.416 -0.045 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H](O)C2CC2)C[C@H]1C[NH+](C)C ZINC000870018013 584007371 /nfs/dbraw/zinc/00/73/71/584007371.db2.gz KXHIXJPVENXPDU-MCIONIFRSA-N 2 0 283.416 -0.045 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N2)C[C@H]1C[NH+](C)C ZINC000870018336 584007380 /nfs/dbraw/zinc/00/73/80/584007380.db2.gz YWCZUMJPZZKVBZ-UTUOFQBUSA-N 2 0 282.388 -0.927 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974494 584023589 /nfs/dbraw/zinc/02/35/89/584023589.db2.gz MHCNCDYSWREZIO-WRWGMCAJSA-N 2 0 255.362 -0.003 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870975248 584023668 /nfs/dbraw/zinc/02/36/68/584023668.db2.gz TUTUWKUVUPJMJO-VLEAKVRGSA-N 2 0 269.345 -0.476 20 0 CBADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[NH2+]CCO1 ZINC000870974260 584023685 /nfs/dbraw/zinc/02/36/85/584023685.db2.gz LGOVMHDEGSTUQW-USZNOCQGSA-N 2 0 253.346 -0.378 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC[C@H]21 ZINC000870981754 584023821 /nfs/dbraw/zinc/02/38/21/584023821.db2.gz JWZADYYIIRYYDU-XPCVCDNBSA-N 2 0 279.384 -0.225 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCO3)CC[C@H]21 ZINC000870980635 584023827 /nfs/dbraw/zinc/02/38/27/584023827.db2.gz AAHUJWKTDVPIIU-UTUOFQBUSA-N 2 0 253.346 -0.473 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3C[NH2+]CCO3)CC[C@@H]21 ZINC000870981243 584023842 /nfs/dbraw/zinc/02/38/42/584023842.db2.gz GTMYURWLSKUALF-AGIUHOORSA-N 2 0 267.373 -0.083 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCO3)CC[C@@H]21 ZINC000870980636 584023988 /nfs/dbraw/zinc/02/39/88/584023988.db2.gz AAHUJWKTDVPIIU-WOPDTQHZSA-N 2 0 253.346 -0.473 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870983867 584024502 /nfs/dbraw/zinc/02/45/02/584024502.db2.gz YWMUKAXCIQTAEZ-GARJFASQSA-N 2 0 269.345 -0.571 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870999808 584024692 /nfs/dbraw/zinc/02/46/92/584024692.db2.gz PXFTUSPCAYTMNP-WHOHXGKFSA-N 2 0 296.371 -0.637 20 0 CBADRP O=C([C@H]1CCC[NH2+]1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871003912 584024937 /nfs/dbraw/zinc/02/49/37/584024937.db2.gz FVCXGUOZFHKRGW-KKOKHZNYSA-N 2 0 294.355 -0.868 20 0 CBADRP CC[NH+]1CCN(CCNC(=[NH2+])N(C)CCOC)CC1 ZINC000871603385 584043251 /nfs/dbraw/zinc/04/32/51/584043251.db2.gz QYLQFQMMQWLPNP-UHFFFAOYSA-N 2 0 271.409 -0.274 20 0 CBADRP Cn1nnnc1C1CC[NH+](CCOCC[NH3+])CC1 ZINC000872146230 584048054 /nfs/dbraw/zinc/04/80/54/584048054.db2.gz IVBSPTLLTPVQFK-UHFFFAOYSA-N 2 0 254.338 -0.635 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154177 584048310 /nfs/dbraw/zinc/04/83/10/584048310.db2.gz QERVUHPJSYMBEK-SMDDNHRTSA-N 2 0 283.372 -0.451 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000872218197 584050715 /nfs/dbraw/zinc/05/07/15/584050715.db2.gz KWYNXQXCOABEKD-KBPBESRZSA-N 2 0 285.432 -0.122 20 0 CBADRP COC(C)(C)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000872226705 584051392 /nfs/dbraw/zinc/05/13/92/584051392.db2.gz SOGIROXPUXRRFZ-CYBMUJFWSA-N 2 0 273.421 -0.001 20 0 CBADRP C[C@]1(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[NH2+]C1 ZINC000872257788 584052366 /nfs/dbraw/zinc/05/23/66/584052366.db2.gz XACNRVNHNVQJMT-CXTNEJHOSA-N 3 0 294.399 -0.147 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000873248329 584069053 /nfs/dbraw/zinc/06/90/53/584069053.db2.gz DBOHAABGBCJIOV-LOWVWBTDSA-N 2 0 269.345 -0.075 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000873250954 584069101 /nfs/dbraw/zinc/06/91/01/584069101.db2.gz UCIXNQSDYHWDOG-FOGDFJRCSA-N 2 0 255.318 -0.323 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@]23COCCN2C(=O)COC3)C1 ZINC000873266327 584069479 /nfs/dbraw/zinc/06/94/79/584069479.db2.gz MOPMHXURJONETF-MBNYWOFBSA-N 2 0 283.372 -0.526 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C[NH+]1CCCC1 ZINC000874438207 584084013 /nfs/dbraw/zinc/08/40/13/584084013.db2.gz HRYHGFPGOZPFGX-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC000874471194 584086322 /nfs/dbraw/zinc/08/63/22/584086322.db2.gz YJOBTGVOBHIXKD-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC000874471195 584086331 /nfs/dbraw/zinc/08/63/31/584086331.db2.gz YJOBTGVOBHIXKD-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876503073 584129791 /nfs/dbraw/zinc/12/97/91/584129791.db2.gz YFHFDMZCIKHJOM-RYUDHWBXSA-N 2 0 272.368 -0.655 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000876514523 584130473 /nfs/dbraw/zinc/13/04/73/584130473.db2.gz 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ZINC000876543118 584132800 /nfs/dbraw/zinc/13/28/00/584132800.db2.gz FYNGUKGTHSUQNK-YPMHNXCESA-N 2 0 273.377 -0.375 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C[NH2+]CCO1 ZINC000876729551 584141283 /nfs/dbraw/zinc/14/12/83/584141283.db2.gz QOGQBKKKGJVWTF-GUTXKFCHSA-N 2 0 297.399 -0.266 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)C[NH2+]CCO1 ZINC000876733791 584141749 /nfs/dbraw/zinc/14/17/49/584141749.db2.gz HRUWFLMWDXHMLY-ZFWWWQNUSA-N 2 0 299.415 -0.162 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000876747222 584141975 /nfs/dbraw/zinc/14/19/75/584141975.db2.gz YMUQIAVHFUKIQS-AWEZNQCLSA-N 2 0 287.404 -0.161 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876745070 584142081 /nfs/dbraw/zinc/14/20/81/584142081.db2.gz YPZOFERSIFZYSP-LPWJVIDDSA-N 2 0 285.363 -0.087 20 0 CBADRP [NH3+]C[C@]1(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCCOC1 ZINC000876743771 584142145 /nfs/dbraw/zinc/14/21/45/584142145.db2.gz 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C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876842589 584148540 /nfs/dbraw/zinc/14/85/40/584148540.db2.gz KWJWFURYLPFXOQ-JBDRJPRFSA-N 2 0 265.279 -0.015 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C[NH2+]CCO1 ZINC000876842785 584148627 /nfs/dbraw/zinc/14/86/27/584148627.db2.gz LGEFMTQCBLLVQW-KGLIPLIRSA-N 2 0 267.373 -0.033 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000876845197 584148894 /nfs/dbraw/zinc/14/88/94/584148894.db2.gz AYVHVZRNSOYMIA-HNNXBMFYSA-N 2 0 288.395 -0.105 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876846944 584149143 /nfs/dbraw/zinc/14/91/43/584149143.db2.gz GOMJQYRAHJYNQH-DCAQKATOSA-N 2 0 287.335 -0.703 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876847345 584149253 /nfs/dbraw/zinc/14/92/53/584149253.db2.gz IJHCDVFMFNMBPK-IBPBTGAJSA-N 2 0 295.383 -0.094 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000876850043 584149731 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CBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000876869737 584151610 /nfs/dbraw/zinc/15/16/10/584151610.db2.gz COMNFOKRHSJVDB-BQBZGAKWSA-N 2 0 256.272 -0.729 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000876870095 584151613 /nfs/dbraw/zinc/15/16/13/584151613.db2.gz JXFWZSKDFZHNBA-CPCNUCRYSA-N 2 0 267.373 -0.107 20 0 CBADRP COC[C@@]1(C(=O)N2CC[NH2+]C(C)(C)C2)C[NH2+]CCO1 ZINC000876872743 584151815 /nfs/dbraw/zinc/15/18/15/584151815.db2.gz LLCQXIMOPVEWMZ-CYBMUJFWSA-N 2 0 271.361 -0.798 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876878533 584152513 /nfs/dbraw/zinc/15/25/13/584152513.db2.gz FVMIXMWIVRVQJN-UWVGGRQHSA-N 2 0 279.331 -0.137 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876890390 584153599 /nfs/dbraw/zinc/15/35/99/584153599.db2.gz XVKSYEWBBZZIIE-QWRGUYRKSA-N 2 0 261.341 -0.372 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000876919148 584155599 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C[C@H]([NH3+])CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000877107992 584166483 /nfs/dbraw/zinc/16/64/83/584166483.db2.gz NUELWWFJIBPGBE-JTQLQIEISA-N 2 0 253.350 -0.136 20 0 CBADRP CC1(C)CC[C@H](CNC(=O)[C@H]2C[NH2+]CCO2)[NH2+]C1 ZINC000877154037 584168222 /nfs/dbraw/zinc/16/82/22/584168222.db2.gz ZLQSEGOZGIZYAR-GHMZBOCLSA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1=O ZINC000877243817 584171873 /nfs/dbraw/zinc/17/18/73/584171873.db2.gz OWEMCMIQEXTRNK-IJLUTSLNSA-N 2 0 282.388 -0.750 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877245737 584171999 /nfs/dbraw/zinc/17/19/99/584171999.db2.gz JFVYRYDBZONWIB-PPCPHDFISA-N 2 0 267.373 -0.003 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877246570 584172309 /nfs/dbraw/zinc/17/23/09/584172309.db2.gz ZPXYASIUDZXCNY-ROHXPCBUSA-N 2 0 253.346 -0.251 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C[NH2+]CCO1 ZINC000877250107 584172498 /nfs/dbraw/zinc/17/24/98/584172498.db2.gz NJFWPZMJSWBRJS-GUTXKFCHSA-N 2 0 297.399 -0.456 20 0 CBADRP C[C@@H](NC(=O)CN1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000877251787 584173263 /nfs/dbraw/zinc/17/32/63/584173263.db2.gz FNFUXSHTRADNAH-LLVKDONJSA-N 2 0 254.378 -0.604 20 0 CBADRP C[C@H](NC(=O)[C@H]1CCO[C@@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000877254379 584173411 /nfs/dbraw/zinc/17/34/11/584173411.db2.gz UZMBPTUDWZNYEH-ZMLRMANQSA-N 2 0 255.362 -0.146 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877279879 584175698 /nfs/dbraw/zinc/17/56/98/584175698.db2.gz AECSJHMYSZSELP-WZRBSPASSA-N 2 0 282.388 -0.561 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877284019 584175846 /nfs/dbraw/zinc/17/58/46/584175846.db2.gz ROLDKMSBTHSVAD-XQQFMLRXSA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@H]([NH3+])CC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877327455 584178610 /nfs/dbraw/zinc/17/86/10/584178610.db2.gz SWCJYZPVFWDMJT-QWRGUYRKSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[NH2+]CCO1 ZINC000877326906 584178672 /nfs/dbraw/zinc/17/86/72/584178672.db2.gz ISWRXTISVPHYSR-TZMCWYRMSA-N 2 0 297.399 -0.360 20 0 CBADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CC[NH2+]1 ZINC000877332370 584178795 /nfs/dbraw/zinc/17/87/95/584178795.db2.gz ZJKYJYLLFJYIMA-WDEREUQCSA-N 2 0 253.346 -0.377 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877332247 584178864 /nfs/dbraw/zinc/17/88/64/584178864.db2.gz WVBYMJPAOQSTFY-OLZOCXBDSA-N 2 0 297.399 -0.360 20 0 CBADRP C[C@]1(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C[NH2+]CCO1 ZINC000877357239 584179511 /nfs/dbraw/zinc/17/95/11/584179511.db2.gz WLMBVNCALBTUSR-FXPVBKGRSA-N 2 0 295.305 -0.040 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877358111 584179517 /nfs/dbraw/zinc/17/95/17/584179517.db2.gz ZZYOMFBMGYEHIA-HLTSFMKQSA-N 2 0 282.310 -0.529 20 0 CBADRP C[C@]1(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C[NH2+]CCO1 ZINC000877357243 584179540 /nfs/dbraw/zinc/17/95/40/584179540.db2.gz WLMBVNCALBTUSR-WCABBAIRSA-N 2 0 295.305 -0.040 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C2 ZINC000877373985 584180076 /nfs/dbraw/zinc/18/00/76/584180076.db2.gz SFTTYHXVQSLILF-YWPYICTPSA-N 2 0 294.399 -0.687 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)nn1 ZINC000877388199 584180374 /nfs/dbraw/zinc/18/03/74/584180374.db2.gz XGHYSAHFIKNREA-WCQYABFASA-N 2 0 278.360 -0.359 20 0 CBADRP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@H]1O ZINC000878336460 584200740 /nfs/dbraw/zinc/20/07/40/584200740.db2.gz YCOVFWQREFTFOS-ZYHUDNBSSA-N 2 0 255.362 -0.491 20 0 CBADRP CN(CCC[N@H+](C)CCn1cnnn1)CC[NH+](C)C ZINC000878623372 584210898 /nfs/dbraw/zinc/21/08/98/584210898.db2.gz LNTHXMWAAVZENW-UHFFFAOYSA-N 2 0 269.397 -0.512 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000878867708 584219594 /nfs/dbraw/zinc/21/95/94/584219594.db2.gz LYLDGZXKYPKLAM-CABCVRRESA-N 2 0 285.432 -0.168 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@H]1CCNC1=O ZINC000878968753 584221521 /nfs/dbraw/zinc/22/15/21/584221521.db2.gz ADOZXUXUMBGPGQ-GFCCVEGCSA-N 2 0 284.404 -0.536 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@@H](CO)C[NH+]2CCCC2)CC1 ZINC000879996250 584258707 /nfs/dbraw/zinc/25/87/07/584258707.db2.gz IMMOMNJKCQEPJZ-CYBMUJFWSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC000879998384 584258990 /nfs/dbraw/zinc/25/89/90/584258990.db2.gz RKFTYVHNAXLEIE-VXGBXAGGSA-N 2 0 255.362 -0.489 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000879998383 584259038 /nfs/dbraw/zinc/25/90/38/584259038.db2.gz RKFTYVHNAXLEIE-RYUDHWBXSA-N 2 0 255.362 -0.489 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H](CO)C[NH+]2CCCC2)CC1 ZINC000879998036 584259126 /nfs/dbraw/zinc/25/91/26/584259126.db2.gz JWELBOGGQHNOHN-AWEZNQCLSA-N 2 0 298.431 -0.803 20 0 CBADRP C[N@H+](C[C@H](O)CN1C[C@@H]2CCC[NH+]2C[C@@H]1CO)C1CC1 ZINC000880072971 584261039 /nfs/dbraw/zinc/26/10/39/584261039.db2.gz NSVRYYCVYOMQLH-ZNMIVQPWSA-N 2 0 283.416 -0.418 20 0 CBADRP CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000883385212 584340878 /nfs/dbraw/zinc/34/08/78/584340878.db2.gz HKVGQAHLHJASKJ-QWHCGFSZSA-N 2 0 283.420 -0.374 20 0 CBADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCn2cnnn2)CC1 ZINC000883431800 584341976 /nfs/dbraw/zinc/34/19/76/584341976.db2.gz DNWQEGOHSIIMSN-QWHCGFSZSA-N 2 0 280.376 -0.109 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](CCc2cn[nH]c2)C1 ZINC000883439222 584342426 /nfs/dbraw/zinc/34/24/26/584342426.db2.gz LZVPVXDQLILFDM-RWMBFGLXSA-N 2 0 291.355 -0.181 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000883473717 584343819 /nfs/dbraw/zinc/34/38/19/584343819.db2.gz JYBZPJJKSBQMAH-VXGBXAGGSA-N 2 0 291.417 -0.622 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000883656525 584346160 /nfs/dbraw/zinc/34/61/60/584346160.db2.gz BZPHLKOSBDJCKQ-UHFFFAOYSA-N 2 0 296.415 -0.249 20 0 CBADRP COc1nn(C)cc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000883960106 584352078 /nfs/dbraw/zinc/35/20/78/584352078.db2.gz IENLZKQHHLVRNB-UHFFFAOYSA-N 2 0 297.403 -0.006 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884183078 584364762 /nfs/dbraw/zinc/36/47/62/584364762.db2.gz BUHAHGASMWLCQU-FRRDWIJNSA-N 2 0 287.404 -0.034 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000884196719 584365307 /nfs/dbraw/zinc/36/53/07/584365307.db2.gz YUWDBRWFLIQKQI-AVGNSLFASA-N 2 0 287.404 -0.034 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000884220493 584368605 /nfs/dbraw/zinc/36/86/05/584368605.db2.gz UUQAPXAYZDOXTI-AWEZNQCLSA-N 2 0 299.415 -0.079 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000884236095 584369300 /nfs/dbraw/zinc/36/93/00/584369300.db2.gz MJCVZEWXDGSMRX-STQMWFEESA-N 2 0 284.404 -0.802 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884243752 584369531 /nfs/dbraw/zinc/36/95/31/584369531.db2.gz OIQRPSOMHDVLQL-LLVKDONJSA-N 2 0 277.372 -0.042 20 0 CBADRP C[NH+](C)CCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884284113 584371887 /nfs/dbraw/zinc/37/18/87/584371887.db2.gz DHGKNVWVOHQJLG-UHFFFAOYSA-N 2 0 277.372 -0.217 20 0 CBADRP [NH3+][C@@H](CC1CC1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000884289165 584372387 /nfs/dbraw/zinc/37/23/87/584372387.db2.gz VDFUGSWXBRXKHX-STQMWFEESA-N 2 0 266.389 -0.380 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000884300718 584372816 /nfs/dbraw/zinc/37/28/16/584372816.db2.gz GCDOBTFUULDGBU-TUAOUCFPSA-N 2 0 255.362 -0.192 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000884300717 584372826 /nfs/dbraw/zinc/37/28/26/584372826.db2.gz GCDOBTFUULDGBU-SRVKXCTJSA-N 2 0 255.362 -0.192 20 0 CBADRP CN(CC[NH3+])C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884341949 584375457 /nfs/dbraw/zinc/37/54/57/584375457.db2.gz MGABDIHEUCOEPJ-UHFFFAOYSA-N 2 0 263.345 -0.478 20 0 CBADRP COC1(C(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)CC[NH2+]CC1 ZINC000884348238 584375723 /nfs/dbraw/zinc/37/57/23/584375723.db2.gz RNIBCEFTBJLQDV-UWVGGRQHSA-N 2 0 255.362 -0.003 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000884348356 584375772 /nfs/dbraw/zinc/37/57/72/584375772.db2.gz WRNGMLYIWLQTBG-GMTAPVOTSA-N 2 0 255.362 -0.003 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000884357600 584376084 /nfs/dbraw/zinc/37/60/84/584376084.db2.gz AYZBCIWPHOZFMG-MXWKQRLJSA-N 2 0 282.388 -0.513 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000884361122 584376518 /nfs/dbraw/zinc/37/65/18/584376518.db2.gz MMNDXLONULCOMX-WTBMIXGQSA-N 2 0 253.346 -0.536 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884366132 584377036 /nfs/dbraw/zinc/37/70/36/584377036.db2.gz URMGWJJDVQTVNW-RKDXNWHRSA-N 2 0 251.334 -0.266 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884406592 584379560 /nfs/dbraw/zinc/37/95/60/584379560.db2.gz YSOBZMXRAMDUCM-LBPRGKRZSA-N 2 0 284.404 -0.408 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884420383 584380694 /nfs/dbraw/zinc/38/06/94/584380694.db2.gz RASKFBQYDYDADQ-LLVKDONJSA-N 2 0 277.372 -0.171 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000884420550 584380738 /nfs/dbraw/zinc/38/07/38/584380738.db2.gz WODZHIUGXDDIPH-NEPJUHHUSA-N 2 0 273.377 -0.471 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884420384 584380790 /nfs/dbraw/zinc/38/07/90/584380790.db2.gz RASKFBQYDYDADQ-NSHDSACASA-N 2 0 277.372 -0.171 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000884431626 584381222 /nfs/dbraw/zinc/38/12/22/584381222.db2.gz ZJZMTZVZADHLRS-RYUDHWBXSA-N 2 0 296.415 -0.312 20 0 CBADRP CCN(CC[NH3+])C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884431819 584381244 /nfs/dbraw/zinc/38/12/44/584381244.db2.gz ILQKVRKSARMVAC-UHFFFAOYSA-N 2 0 277.372 -0.088 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000884442713 584381946 /nfs/dbraw/zinc/38/19/46/584381946.db2.gz OAHBJZHWPIAZBW-RTXFEEFZSA-N 2 0 255.362 -0.192 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000884442714 584381975 /nfs/dbraw/zinc/38/19/75/584381975.db2.gz OAHBJZHWPIAZBW-WCFLWFBJSA-N 2 0 255.362 -0.192 20 0 CBADRP COCC[C@H]([NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000884463227 584383000 /nfs/dbraw/zinc/38/30/00/584383000.db2.gz AHBIVWCETFJNEB-LBPRGKRZSA-N 2 0 293.371 -0.207 20 0 CBADRP COc1ccc([C@@H]2CN(C(=O)[C@H](C[NH3+])OC)C[C@H]2[NH3+])cc1 ZINC000884468302 584383209 /nfs/dbraw/zinc/38/32/09/584383209.db2.gz XHCLEDFJXVZARM-MJBXVCDLSA-N 2 0 293.367 -0.078 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884577496 584388712 /nfs/dbraw/zinc/38/87/12/584388712.db2.gz GUFDASNDUCXIMI-FRRDWIJNSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000884623728 584391422 /nfs/dbraw/zinc/39/14/22/584391422.db2.gz MPSYAHJJNMSTPV-NTZNESFSSA-N 2 0 294.399 -0.299 20 0 CBADRP CC(C)([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884626856 584391780 /nfs/dbraw/zinc/39/17/80/584391780.db2.gz XIJUPJJOLVKGPO-NWDGAFQWSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000884627597 584391957 /nfs/dbraw/zinc/39/19/57/584391957.db2.gz VQTAUMLGGQSTDF-GRYCIOLGSA-N 2 0 294.399 -0.465 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000884627600 584392002 /nfs/dbraw/zinc/39/20/02/584392002.db2.gz VQTAUMLGGQSTDF-WOPDTQHZSA-N 2 0 294.399 -0.465 20 0 CBADRP CC(C)([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000884631379 584392223 /nfs/dbraw/zinc/39/22/23/584392223.db2.gz IGPXXPGLBRZDFP-LBPRGKRZSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000884631561 584392303 /nfs/dbraw/zinc/39/23/03/584392303.db2.gz OFOGQMHFXNIJRJ-WXHSDQCUSA-N 2 0 294.399 -0.465 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884650410 584392526 /nfs/dbraw/zinc/39/25/26/584392526.db2.gz ISZAEPCMMNASAA-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884665337 584393555 /nfs/dbraw/zinc/39/35/55/584393555.db2.gz PIKNZLYASCSGQT-TUAOUCFPSA-N 2 0 284.404 -0.219 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884669808 584393671 /nfs/dbraw/zinc/39/36/71/584393671.db2.gz HMPKVGKZKOUYMF-ZDEQEGDKSA-N 2 0 292.383 -0.698 20 0 CBADRP CC(C)([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000884669692 584393697 /nfs/dbraw/zinc/39/36/97/584393697.db2.gz DFHUGBXOAHSSKL-NEPJUHHUSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)C[NH+]1CCCC1 ZINC000884668894 584393703 /nfs/dbraw/zinc/39/37/03/584393703.db2.gz GPKHYCCYHVOEFN-FRRDWIJNSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC[NH3+])CCN1c1cc[nH+]cc1 ZINC000884673542 584394454 /nfs/dbraw/zinc/39/44/54/584394454.db2.gz ZYBPKVTYJWEEKE-LLVKDONJSA-N 2 0 291.355 -0.806 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC[C@H]21 ZINC000884678754 584395328 /nfs/dbraw/zinc/39/53/28/584395328.db2.gz LSWZRDMAHKWYQD-FRRDWIJNSA-N 2 0 294.399 -0.608 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)NC2C[NH2+]C2)CCC1(C)C ZINC000884693295 584398023 /nfs/dbraw/zinc/39/80/23/584398023.db2.gz TYLNWVCRJFSXHW-UHFFFAOYSA-N 2 0 268.361 -0.983 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000884704127 584398913 /nfs/dbraw/zinc/39/89/13/584398913.db2.gz VPHFMMXXNTYLTK-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CCC1(C)C ZINC000884707070 584399659 /nfs/dbraw/zinc/39/96/59/584399659.db2.gz XENQYIWUMICLCO-LBPRGKRZSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000884728053 584401111 /nfs/dbraw/zinc/40/11/11/584401111.db2.gz HLKVIDGIOMXMHH-ZSVAQUKISA-N 2 0 296.415 -0.077 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000884796249 584402451 /nfs/dbraw/zinc/40/24/51/584402451.db2.gz FCHZQGDAYSJEMF-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])C1 ZINC000885195567 584409630 /nfs/dbraw/zinc/40/96/30/584409630.db2.gz NBLCQNFIPCOFGN-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885198943 584409988 /nfs/dbraw/zinc/40/99/88/584409988.db2.gz IZCZMKKJFLORJH-UHFFFAOYSA-N 2 0 258.366 -0.750 20 0 CBADRP CN(C(=O)C(=O)NCCC(C)(C)[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000885203880 584410075 /nfs/dbraw/zinc/41/00/75/584410075.db2.gz CUTLQMRQJPWENL-GFCCVEGCSA-N 2 0 296.415 -0.075 20 0 CBADRP CN(C(=O)C(=O)NCCC(C)(C)[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000885203881 584410167 /nfs/dbraw/zinc/41/01/67/584410167.db2.gz CUTLQMRQJPWENL-LBPRGKRZSA-N 2 0 296.415 -0.075 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885204818 584410209 /nfs/dbraw/zinc/41/02/09/584410209.db2.gz PPOGQWOLNTVRPV-UHFFFAOYSA-N 2 0 272.393 -0.360 20 0 CBADRP C[C@@H](C(N)=O)[NH+](C)[C@H]1CC[C@H]([N@@H+](C)[C@@H](C)C(N)=O)CC1 ZINC000886389504 584438773 /nfs/dbraw/zinc/43/87/73/584438773.db2.gz LZDSWGDDYHTXSK-BJDJZHNGSA-N 2 0 284.404 -0.091 20 0 CBADRP C[C@@H](C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)[NH+](C)C ZINC000889744163 584534777 /nfs/dbraw/zinc/53/47/77/584534777.db2.gz KPDBETSABZAPMX-YNEHKIRRSA-N 2 0 269.389 -0.006 20 0 CBADRP C[C@@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)[NH+](C)C ZINC000889744162 584534843 /nfs/dbraw/zinc/53/48/43/584534843.db2.gz KPDBETSABZAPMX-XQQFMLRXSA-N 2 0 269.389 -0.006 20 0 CBADRP CC[N@@H+]1CC[C@H]1CNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000890070400 584541094 /nfs/dbraw/zinc/54/10/94/584541094.db2.gz YBYGDVUPRIWDIU-LBPRGKRZSA-N 2 0 284.404 -0.164 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000891492800 584582609 /nfs/dbraw/zinc/58/26/09/584582609.db2.gz JGALZLNACHFPME-MNOVXSKESA-N 2 0 258.366 -0.304 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891514663 584583571 /nfs/dbraw/zinc/58/35/71/584583571.db2.gz WHBHULFDAZLOSX-ZDEQEGDKSA-N 2 0 280.372 -0.395 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891514662 584583585 /nfs/dbraw/zinc/58/35/85/584583585.db2.gz WHBHULFDAZLOSX-RNJOBUHISA-N 2 0 280.372 -0.395 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000891529626 584584345 /nfs/dbraw/zinc/58/43/45/584584345.db2.gz XBQLCAIVZOTBFN-QWHCGFSZSA-N 2 0 283.420 -0.245 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000891539464 584584619 /nfs/dbraw/zinc/58/46/19/584584619.db2.gz BBCJKILVYSKGBY-RWMBFGLXSA-N 2 0 283.420 -0.199 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000891539463 584584636 /nfs/dbraw/zinc/58/46/36/584584636.db2.gz BBCJKILVYSKGBY-JHJVBQTASA-N 2 0 283.420 -0.199 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891539445 584584690 /nfs/dbraw/zinc/58/46/90/584584690.db2.gz ARPQQDPCBZYARR-UMVBOHGHSA-N 2 0 295.431 -0.184 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000891540821 584584765 /nfs/dbraw/zinc/58/47/65/584584765.db2.gz YGHYMONSHMQNOW-OWYJLGKBSA-N 2 0 295.431 -0.103 20 0 CBADRP CCN(C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@@H]1CC[NH2+]C1 ZINC000891540390 584584817 /nfs/dbraw/zinc/58/48/17/584584817.db2.gz QALNIDLXVSHAOV-CHWSQXEVSA-N 2 0 283.420 -0.374 20 0 CBADRP NC(=O)CN1CCCN(c2cc[nH+]cc2CO)CC1 ZINC000891936067 584594565 /nfs/dbraw/zinc/59/45/65/584594565.db2.gz UWGRWTNHEWDORO-UHFFFAOYSA-N 2 0 264.329 -0.429 20 0 CBADRP CN(CCCCCC[NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000891970384 584596011 /nfs/dbraw/zinc/59/60/11/584596011.db2.gz JZCWKWUIGDUUEV-UHFFFAOYSA-N 2 0 299.419 -0.421 20 0 CBADRP O=C(CNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2)N1CC[NH2+]CC1 ZINC000891969876 584596155 /nfs/dbraw/zinc/59/61/55/584596155.db2.gz CEIMISITJHHCQS-SMDDNHRTSA-N 2 0 295.387 -0.998 20 0 CBADRP [NH3+]CC1(NC(=O)NCC(=O)N2CC[NH2+]CC2)CCCCC1 ZINC000891970816 584596267 /nfs/dbraw/zinc/59/62/67/584596267.db2.gz OTSMRWWRLQCGBE-UHFFFAOYSA-N 2 0 297.403 -0.621 20 0 CBADRP CC1(C)CC[C@H](CNC(=O)NCCN2CC[NH2+]CC2)[NH2+]C1 ZINC000891972646 584596313 /nfs/dbraw/zinc/59/63/13/584596313.db2.gz JVDDYVYHZLIRJL-CYBMUJFWSA-N 2 0 297.447 -0.031 20 0 CBADRP [NH3+][C@@H]1CCCCCN(C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000891973900 584596659 /nfs/dbraw/zinc/59/66/59/584596659.db2.gz ZSZSPYPCRDAHQT-CYBMUJFWSA-N 2 0 283.420 -0.196 20 0 CBADRP C[NH2+]CCNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891993703 584597796 /nfs/dbraw/zinc/59/77/96/584597796.db2.gz JIRWARPLPNBELN-JGVFFNPUSA-N 2 0 268.283 -0.016 20 0 CBADRP C[NH2+]CCNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000891993706 584597857 /nfs/dbraw/zinc/59/78/57/584597857.db2.gz JIRWARPLPNBELN-YUMQZZPRSA-N 2 0 268.283 -0.016 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000892004245 584598639 /nfs/dbraw/zinc/59/86/39/584598639.db2.gz CDTSUDFYXACZSO-RYUDHWBXSA-N 2 0 284.404 -0.117 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000892044915 584600768 /nfs/dbraw/zinc/60/07/68/584600768.db2.gz PRRARPIJHQEPDO-BFHYXJOUSA-N 3 0 299.463 -0.038 20 0 CBADRP [NH3+]C/C=C/CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892122398 584605517 /nfs/dbraw/zinc/60/55/17/584605517.db2.gz OILMFUGMTSFRRB-ISUDXETCSA-N 2 0 282.388 -0.041 20 0 CBADRP C[C@@H](NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)[C@H](C)[NH3+] ZINC000892140977 584605813 /nfs/dbraw/zinc/60/58/13/584605813.db2.gz GIEOHUNKTKKGPZ-AXFHLTTASA-N 2 0 272.393 -0.134 20 0 CBADRP CCN(C(=O)NC[C@H]1C[NH2+]CCCO1)[C@@H]1CC[NH2+]C1 ZINC000892165798 584607002 /nfs/dbraw/zinc/60/70/02/584607002.db2.gz DBJVQCWZNQOAKV-VXGBXAGGSA-N 2 0 270.377 -0.242 20 0 CBADRP [NH3+][C@@H]1CCCCCN(C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000892179111 584607655 /nfs/dbraw/zinc/60/76/55/584607655.db2.gz GNZGGQXCDYJPBE-VXGBXAGGSA-N 2 0 270.377 -0.112 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[NH2+]CCC12CCC2 ZINC000892188663 584608714 /nfs/dbraw/zinc/60/87/14/584608714.db2.gz IYWZFBKCENBDFA-LBPRGKRZSA-N 2 0 282.388 -0.098 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)NC[C@H]1C[NH2+]CCO1 ZINC000892188982 584608720 /nfs/dbraw/zinc/60/87/20/584608720.db2.gz KYEIBQKBERPIFN-VHSXEESVSA-N 2 0 292.330 -0.481 20 0 CBADRP CCN(C(=O)NCCOCC[NH2+]C)[C@H]1CC[NH2+]C1 ZINC000892280073 584611874 /nfs/dbraw/zinc/61/18/74/584611874.db2.gz HKRDLPQUQGZCOX-NSHDSACASA-N 2 0 258.366 -0.384 20 0 CBADRP [NH3+]CCCOCCNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000892291790 584613608 /nfs/dbraw/zinc/61/36/08/584613608.db2.gz PWMUHFHFFKYCQE-AAEUAGOBSA-N 2 0 270.377 -0.064 20 0 CBADRP [NH3+][C@@H]1CCCCCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000892294577 584613884 /nfs/dbraw/zinc/61/38/84/584613884.db2.gz KMPYIURANJVSTI-NEPJUHHUSA-N 2 0 270.377 -0.112 20 0 CBADRP CC(C)(O)C[NH+]1CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000892575804 584619722 /nfs/dbraw/zinc/61/97/22/584619722.db2.gz WVDCVKMQQVFFDS-HAQNSBGRSA-N 2 0 284.404 -0.178 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000892577180 584619818 /nfs/dbraw/zinc/61/98/18/584619818.db2.gz BTONIIWEIYXIGR-XYPYZODXSA-N 2 0 263.345 -0.048 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000892587793 584620094 /nfs/dbraw/zinc/62/00/94/584620094.db2.gz RNUZQFMRUSMTSY-YVECIDJPSA-N 2 0 282.388 -0.114 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892755751 584625086 /nfs/dbraw/zinc/62/50/86/584625086.db2.gz KGYSIJXDAWXRTL-VXGBXAGGSA-N 2 0 282.388 -0.112 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NCCC(C)(C)[NH3+])C1 ZINC000892855827 584628532 /nfs/dbraw/zinc/62/85/32/584628532.db2.gz WDYUJUIDAIPRAY-GFCCVEGCSA-N 2 0 258.366 -0.520 20 0 CBADRP CCn1cc(CNCCC(=O)N2CCN(C)CC2)nn1 ZINC000892926579 584629730 /nfs/dbraw/zinc/62/97/30/584629730.db2.gz LAHYREFBXDIBGS-UHFFFAOYSA-N 2 0 280.376 -0.448 20 0 CBADRP Cc1cc(N)nc(N2CCC([NH2+]CCO)CC2)[nH+]1 ZINC000893020132 584632667 /nfs/dbraw/zinc/63/26/67/584632667.db2.gz FOAHCWDBUMUYGF-UHFFFAOYSA-N 2 0 251.334 -0.082 20 0 CBADRP COC(=O)c1cn(CC[NH2+]CC2CC[NH+](C)CC2)nn1 ZINC000894298954 584655233 /nfs/dbraw/zinc/65/52/33/584655233.db2.gz JYROXMBONZCBQP-UHFFFAOYSA-N 2 0 281.360 -0.004 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000894366650 584656764 /nfs/dbraw/zinc/65/67/64/584656764.db2.gz MVQCWXXZNLCBRK-QWHCGFSZSA-N 2 0 284.404 -0.090 20 0 CBADRP C[N@@H+]1C[C@@]2(C)CN(c3nc(N)[nH+]c(N)n3)C[C@@]2(C)C1 ZINC000894802631 584664530 /nfs/dbraw/zinc/66/45/30/584664530.db2.gz QYENHUGZECNHGC-TXEJJXNPSA-N 2 0 263.349 -0.186 20 0 CBADRP C[NH+](C)CCCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895469089 584680002 /nfs/dbraw/zinc/68/00/02/584680002.db2.gz COEVFIXXLYODHW-GFCCVEGCSA-N 2 0 255.362 -0.225 20 0 CBADRP COC(=O)CNC(=O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000895811088 584687246 /nfs/dbraw/zinc/68/72/46/584687246.db2.gz NCTNKLPSHPUNGW-UHFFFAOYSA-N 2 0 257.334 -0.793 20 0 CBADRP COCC[N@H+](C)CCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896096962 584692265 /nfs/dbraw/zinc/69/22/65/584692265.db2.gz MMIDOKMICKGHRA-ZDUSSCGKSA-N 2 0 285.388 -0.599 20 0 CBADRP CCO[C@H](CNc1cc[nH+]cc1C(N)=O)C[NH+](C)C ZINC000896118272 584692554 /nfs/dbraw/zinc/69/25/54/584692554.db2.gz YQEOFDFQZQBBBN-SNVBAGLBSA-N 2 0 266.345 -0.019 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN2CCN1CC2 ZINC000897146302 584709106 /nfs/dbraw/zinc/70/91/06/584709106.db2.gz QBGZATKDBVOCQE-NWDGAFQWSA-N 2 0 252.362 -0.803 20 0 CBADRP C[NH+](C)CCOCCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897313021 584712629 /nfs/dbraw/zinc/71/26/29/584712629.db2.gz SEECTSJNQXELKC-ZDUSSCGKSA-N 2 0 285.388 -0.599 20 0 CBADRP CCN1CC[C@H]1CNC(=O)C(=O)N[C@H](C)Cn1ccnc1 ZINC000897490178 584717892 /nfs/dbraw/zinc/71/78/92/584717892.db2.gz WECYTOBXMNWARH-NEPJUHHUSA-N 2 0 293.371 -0.402 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000899224864 584753714 /nfs/dbraw/zinc/75/37/14/584753714.db2.gz VLZQPZMPWMFBBN-OLZOCXBDSA-N 2 0 267.373 -0.083 20 0 CBADRP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCC[NH+](C)CC2)C1 ZINC000899936331 584785975 /nfs/dbraw/zinc/78/59/75/584785975.db2.gz ZEZXZJTXYSFQLV-CQSZACIVSA-N 2 0 269.389 -0.003 20 0 CBADRP C[NH+](C)C(C)(C)CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000899963064 584786982 /nfs/dbraw/zinc/78/69/82/584786982.db2.gz BCBZWMFATIEYAB-MFKMUULPSA-N 2 0 257.378 -0.102 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900383744 584801492 /nfs/dbraw/zinc/80/14/92/584801492.db2.gz XLDMWXXUQGAFQK-UKRRQHHQSA-N 2 0 299.415 -0.332 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900587332 584813899 /nfs/dbraw/zinc/81/38/99/584813899.db2.gz NJLRTKZPIFMNAE-JSGCOSHPSA-N 2 0 287.404 -0.522 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900587334 584813929 /nfs/dbraw/zinc/81/39/29/584813929.db2.gz NJLRTKZPIFMNAE-TZMCWYRMSA-N 2 0 287.404 -0.522 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900686235 584821666 /nfs/dbraw/zinc/82/16/66/584821666.db2.gz LHURMLVJLLJILJ-UHFFFAOYSA-N 2 0 280.416 -0.164 20 0 CBADRP C[NH+](C)CCCCNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900691480 584822171 /nfs/dbraw/zinc/82/21/71/584822171.db2.gz YPHLVBZPYXDFBJ-DGCLKSJQSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CCCCNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900691482 584822219 /nfs/dbraw/zinc/82/22/19/584822219.db2.gz YPHLVBZPYXDFBJ-YPMHNXCESA-N 2 0 257.378 -0.101 20 0 CBADRP CC(C)[N@H+](C)CCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000900698532 584823022 /nfs/dbraw/zinc/82/30/22/584823022.db2.gz HJTGFUOHKYGCBJ-AAEUAGOBSA-N 2 0 257.378 -0.102 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000900756324 584825517 /nfs/dbraw/zinc/82/55/17/584825517.db2.gz SREPKJXFPZKSFZ-UKRRQHHQSA-N 2 0 299.415 -0.596 20 0 CBADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H]1C[N@H+](C)CCN1C ZINC000900802287 584827735 /nfs/dbraw/zinc/82/77/35/584827735.db2.gz DOAILMUNZBDGRF-OLZOCXBDSA-N 2 0 280.416 -0.167 20 0 CBADRP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H]1C[N@H+](C)CCN1C ZINC000900812006 584828322 /nfs/dbraw/zinc/82/83/22/584828322.db2.gz QLMNFFWWMRCTNS-QWHCGFSZSA-N 2 0 268.405 -0.167 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000901184250 584853880 /nfs/dbraw/zinc/85/38/80/584853880.db2.gz CLRRFUCZIOVZPC-KBPBESRZSA-N 2 0 287.404 -0.738 20 0 CBADRP C[C@H]([NH2+]C[C@]1(CO)COCCN1C)C1CC[NH+](C)CC1 ZINC000903283021 584889909 /nfs/dbraw/zinc/88/99/09/584889909.db2.gz VZOANXCJHJPACN-ZFWWWQNUSA-N 2 0 285.432 -0.001 20 0 CBADRP [NH3+][C@@H]1CC[C@H](C[N@H+](CCO)CCN2CCOCC2)C1 ZINC000903442701 584890524 /nfs/dbraw/zinc/89/05/24/584890524.db2.gz ZBABPGAXNNTYRL-UONOGXRCSA-N 2 0 271.405 -0.260 20 0 CBADRP CON1CC[C@@H]([N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1=O ZINC000903453758 584890721 /nfs/dbraw/zinc/89/07/21/584890721.db2.gz KOETXWFKINXVJG-VXGBXAGGSA-N 2 0 268.361 -0.872 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000903476294 584891084 /nfs/dbraw/zinc/89/10/84/584891084.db2.gz TZHSBRLZZOWEPS-HTOAHKCRSA-N 2 0 294.399 -0.291 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)NCC1CC1)C2 ZINC000903491891 584891629 /nfs/dbraw/zinc/89/16/29/584891629.db2.gz FNHWSHILRCHDTN-ZOWXZIJZSA-N 2 0 295.383 -0.275 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)N(C)C1CC1)C2 ZINC000903492928 584891688 /nfs/dbraw/zinc/89/16/88/584891688.db2.gz LSELCXPSVBLTGF-RWSFTLGLSA-N 2 0 295.383 -0.181 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000903490628 584891736 /nfs/dbraw/zinc/89/17/36/584891736.db2.gz AONVLEARFHKLQA-CZXHOFHRSA-N 3 0 267.373 -0.192 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H]1CNCCO1)C2 ZINC000903495108 584891917 /nfs/dbraw/zinc/89/19/17/584891917.db2.gz VOMCOCBNICOQOM-SFTQSGBHSA-N 2 0 283.372 -0.813 20 0 CBADRP CCCNC(=O)CN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496464 584892032 /nfs/dbraw/zinc/89/20/32/584892032.db2.gz ORBAYHDODSUJPH-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP [NH3+][C@@H]1CN(C[C@@H]2C[NH2+]CCO2)C[C@H]1C(F)(F)F ZINC000903512931 584892270 /nfs/dbraw/zinc/89/22/70/584892270.db2.gz KOTLTDZBGWWSSQ-DJLDLDEBSA-N 2 0 253.268 -0.204 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000903551086 584893009 /nfs/dbraw/zinc/89/30/09/584893009.db2.gz UQXVWZZIQXCNME-JTQLQIEISA-N 2 0 263.407 -0.145 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000903563208 584893361 /nfs/dbraw/zinc/89/33/61/584893361.db2.gz UEJCGHIWBWKVPW-OUAUKWLOSA-N 2 0 261.391 -0.250 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000903573791 584893634 /nfs/dbraw/zinc/89/36/34/584893634.db2.gz JYBZPJJKSBQMAH-RYUDHWBXSA-N 2 0 291.417 -0.622 20 0 CBADRP O=S(=O)([C@H]1CCC[NH2+]C1)N1CCC[C@]12CC[NH2+]C2 ZINC000903591598 584894102 /nfs/dbraw/zinc/89/41/02/584894102.db2.gz GPLNFGDGANJMKU-NWDGAFQWSA-N 2 0 273.402 -0.104 20 0 CBADRP C[NH2+]CCN(C(C)C)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000903591720 584894123 /nfs/dbraw/zinc/89/41/23/584894123.db2.gz SVYDTBKNPGJISJ-LLVKDONJSA-N 2 0 279.406 -0.766 20 0 CBADRP O=S(=O)(N[C@]12CCC[C@H]1C[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC000903609474 584895011 /nfs/dbraw/zinc/89/50/11/584895011.db2.gz GUZIPNXZZZMTGM-SRVKXCTJSA-N 2 0 273.402 -0.200 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903719850 584895803 /nfs/dbraw/zinc/89/58/03/584895803.db2.gz YMTXNURXXRJPRA-JTQLQIEISA-N 2 0 270.377 -0.798 20 0 CBADRP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722322 584895834 /nfs/dbraw/zinc/89/58/34/584895834.db2.gz KOZOOFVPZUHTKV-SGMGOOAPSA-N 2 0 267.373 -0.035 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903719851 584895837 /nfs/dbraw/zinc/89/58/37/584895837.db2.gz YMTXNURXXRJPRA-SNVBAGLBSA-N 2 0 270.377 -0.798 20 0 CBADRP CNC(=O)CC[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903728414 584896143 /nfs/dbraw/zinc/89/61/43/584896143.db2.gz AQIKHKVYIVJQPJ-YPMHNXCESA-N 2 0 255.362 -0.177 20 0 CBADRP CNC(=O)CC[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903728411 584896150 /nfs/dbraw/zinc/89/61/50/584896150.db2.gz AQIKHKVYIVJQPJ-AAEUAGOBSA-N 2 0 255.362 -0.177 20 0 CBADRP CN1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1=O ZINC000903728906 584896248 /nfs/dbraw/zinc/89/62/48/584896248.db2.gz HBSMCTCDHGBZKK-YPMHNXCESA-N 2 0 253.346 -0.471 20 0 CBADRP O[C@@H](CN1CC[NH2+]C[C@H]1C(F)F)C[NH+]1CCCC1 ZINC000903748968 584897203 /nfs/dbraw/zinc/89/72/03/584897203.db2.gz FBVWQKOJMNMIFN-MNOVXSKESA-N 2 0 263.332 -0.018 20 0 CBADRP O[C@@H](CN1CC[NH2+]C[C@@H]1C(F)F)C[NH+]1CCCC1 ZINC000903748959 584897242 /nfs/dbraw/zinc/89/72/42/584897242.db2.gz FBVWQKOJMNMIFN-GHMZBOCLSA-N 2 0 263.332 -0.018 20 0 CBADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000903750806 584897345 /nfs/dbraw/zinc/89/73/45/584897345.db2.gz UINGSERWLWPGKC-AGIUHOORSA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000903750808 584897422 /nfs/dbraw/zinc/89/74/22/584897422.db2.gz UINGSERWLWPGKC-FRRDWIJNSA-N 2 0 296.415 -0.123 20 0 CBADRP CN(C)C(=O)NCC[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903756053 584897567 /nfs/dbraw/zinc/89/75/67/584897567.db2.gz ONZTXJRYPPOGSI-OCCSQVGLSA-N 2 0 284.404 -0.042 20 0 CBADRP O[C@@H]1C[C@H]2CN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC[N@@H+]2C1 ZINC000903767515 584898028 /nfs/dbraw/zinc/89/80/28/584898028.db2.gz GQTWUGJCSYCXMU-ZNMIVQPWSA-N 2 0 295.427 -0.104 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903768042 584898047 /nfs/dbraw/zinc/89/80/47/584898047.db2.gz PWBUHZQDMXIZJI-NEPJUHHUSA-N 2 0 296.415 -0.265 20 0 CBADRP CN1CC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCC1=O ZINC000903765451 584898087 /nfs/dbraw/zinc/89/80/87/584898087.db2.gz HIPILMLHGNAKBE-TZMCWYRMSA-N 2 0 267.373 -0.081 20 0 CBADRP C[N@H+](CCOCC[NH3+])C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903769919 584898386 /nfs/dbraw/zinc/89/83/86/584898386.db2.gz RLPIBRBRIZVEDV-CHWSQXEVSA-N 3 0 257.378 -0.338 20 0 CBADRP OCC[NH2+][C@@H]1CCCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903770306 584898477 /nfs/dbraw/zinc/89/84/77/584898477.db2.gz FQMDXYLFYSWREN-RBSFLKMASA-N 2 0 283.416 -0.199 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000903780778 584899341 /nfs/dbraw/zinc/89/93/41/584899341.db2.gz DXMGRSJSAKKOIQ-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903787448 584899656 /nfs/dbraw/zinc/89/96/56/584899656.db2.gz WQWZYAXVCMZQES-MELADBBJSA-N 2 0 269.389 -0.459 20 0 CBADRP C[C@H]1C[N@H+](CCN2CCCS2(=O)=O)CC[C@H]1C[NH3+] ZINC000903788161 584899672 /nfs/dbraw/zinc/89/96/72/584899672.db2.gz CZCPNLGTPUJFST-RYUDHWBXSA-N 2 0 275.418 -0.061 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000903787660 584899677 /nfs/dbraw/zinc/89/96/77/584899677.db2.gz XVHKIVOUKBMLKZ-STQMWFEESA-N 2 0 257.378 -0.771 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000903787655 584899689 /nfs/dbraw/zinc/89/96/89/584899689.db2.gz XVHKIVOUKBMLKZ-OLZOCXBDSA-N 2 0 257.378 -0.771 20 0 CBADRP C[NH2+]CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)C(C)C ZINC000903809088 584900357 /nfs/dbraw/zinc/90/03/57/584900357.db2.gz OBCJOAMKFUVLFS-UHFFFAOYSA-N 2 0 286.420 -0.147 20 0 CBADRP CC[N@H+](CCC(=O)NC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903825973 584900936 /nfs/dbraw/zinc/90/09/36/584900936.db2.gz GRFPKJGILASJNS-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000903827220 584901008 /nfs/dbraw/zinc/90/10/08/584901008.db2.gz QRFKQRHQNGWJMH-UHTWSYAYSA-N 2 0 255.362 -0.456 20 0 CBADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCC[NH2+]CC1 ZINC000903872694 584902737 /nfs/dbraw/zinc/90/27/37/584902737.db2.gz AEAWZUFCYDGYJS-GFCCVEGCSA-N 2 0 264.377 -0.002 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000903873820 584902881 /nfs/dbraw/zinc/90/28/81/584902881.db2.gz MNBKNYUILPASIY-NXEZZACHSA-N 2 0 278.347 -0.244 20 0 CBADRP Cc1c(C[C@H](C[NH3+])CN2CC[C@H]([NH3+])C2)cnn1C ZINC000903873935 584902912 /nfs/dbraw/zinc/90/29/12/584902912.db2.gz OHPZKWHIPIIVGJ-YPMHNXCESA-N 2 0 251.378 -0.121 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CCO1 ZINC000903874378 584902952 /nfs/dbraw/zinc/90/29/52/584902952.db2.gz ZHVCXFFVXRLDSR-OBJOEFQTSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@H]1C(=O)NCCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903875667 584903169 /nfs/dbraw/zinc/90/31/69/584903169.db2.gz SQSVCLNPOOCPGL-SCRDCRAPSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@H]1C[NH2+]CCN1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903874400 584903207 /nfs/dbraw/zinc/90/32/07/584903207.db2.gz ZXOZWOHLPOCNST-RYUDHWBXSA-N 2 0 264.377 -0.004 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903880488 584903669 /nfs/dbraw/zinc/90/36/69/584903669.db2.gz JHOMJGKLFQLZOW-RYUDHWBXSA-N 2 0 255.362 -0.572 20 0 CBADRP CC[C@H]1C(=O)NCCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903883741 584903814 /nfs/dbraw/zinc/90/38/14/584903814.db2.gz YYWBRDKKNQGORC-RYUDHWBXSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C1NC(=O)N2CC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]12 ZINC000903902608 584904254 /nfs/dbraw/zinc/90/42/54/584904254.db2.gz KQULGBNLIYKTPJ-FGNRJIRKSA-N 2 0 278.356 -0.247 20 0 CBADRP C[NH2+]CCCNCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903918039 584904555 /nfs/dbraw/zinc/90/45/55/584904555.db2.gz QRTMVFWOLDKRHV-NSHDSACASA-N 2 0 252.366 -0.098 20 0 CBADRP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)CCOCCO)cnn1C ZINC000903911175 584904613 /nfs/dbraw/zinc/90/46/13/584904613.db2.gz YCVRSLYXBJXYFT-ZDUSSCGKSA-N 2 0 284.404 -0.213 20 0 CBADRP C[C@H](C[NH3+])CNCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903919654 584904796 /nfs/dbraw/zinc/90/47/96/584904796.db2.gz PEVVCYSQXJDFKV-MNOVXSKESA-N 2 0 252.366 -0.113 20 0 CBADRP Cn1cc(C[NH2+]CCC(C)(C)[NH3+])c(=O)n(C)c1=O ZINC000903938864 584904930 /nfs/dbraw/zinc/90/49/30/584904930.db2.gz NUKWHMHQCYSCJT-UHFFFAOYSA-N 2 0 254.334 -0.699 20 0 CBADRP CC(=O)NCC[N@@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903932940 584904942 /nfs/dbraw/zinc/90/49/42/584904942.db2.gz XRYZMIKMIULGJU-ZDUSSCGKSA-N 2 0 281.404 -0.086 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000903968042 584905101 /nfs/dbraw/zinc/90/51/01/584905101.db2.gz QFIOCNCIDLTYBD-AGIUHOORSA-N 3 0 268.405 -0.371 20 0 CBADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000903969589 584905297 /nfs/dbraw/zinc/90/52/97/584905297.db2.gz HIDVPIIJHUESAJ-UPJWGTAASA-N 2 0 289.445 -0.117 20 0 CBADRP CC1(C)CN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H]1[NH3+] ZINC000903986689 584905431 /nfs/dbraw/zinc/90/54/31/584905431.db2.gz PLTDWWGQWRBYOM-RYUDHWBXSA-N 2 0 268.405 -0.147 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@]13C[C@@H]1C[NH2+]C3)C2 ZINC000903977090 584905443 /nfs/dbraw/zinc/90/54/43/584905443.db2.gz ISVFPVIEMPKMLS-HPYVJYLESA-N 3 0 279.384 -0.192 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969086534 614090119 /nfs/dbraw/zinc/09/01/19/614090119.db2.gz SQSVQLBQVGMSBA-CYBMUJFWSA-N 2 0 299.415 -0.472 20 0 CBADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC000970801320 614189315 /nfs/dbraw/zinc/18/93/15/614189315.db2.gz WYGYIZCJXOOEAW-TZMCWYRMSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)(C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1)[NH+]1CCCCC1 ZINC000968672963 614292929 /nfs/dbraw/zinc/29/29/29/614292929.db2.gz OKSWPTMXHGIIDO-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP CC1(C)C[N@H+](CCO)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000977497182 614664360 /nfs/dbraw/zinc/66/43/60/614664360.db2.gz KMLUZGQCWJNANV-GFCCVEGCSA-N 2 0 281.400 -0.099 20 0 CBADRP CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941344436 615087305 /nfs/dbraw/zinc/08/73/05/615087305.db2.gz INEDDSFCPZKLCT-AWEZNQCLSA-N 2 0 280.416 -0.071 20 0 CBADRP CCN1CCO[C@H](C(=O)N[C@H]2C[N@H+](CCO)CC2(C)C)C1 ZINC000977614516 615184483 /nfs/dbraw/zinc/18/44/83/615184483.db2.gz LKURXRMLKNJWDY-STQMWFEESA-N 2 0 299.415 -0.474 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958593917 615366920 /nfs/dbraw/zinc/36/69/20/615366920.db2.gz CZLWPCQSINYIOL-NWDGAFQWSA-N 2 0 267.373 -0.489 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958375260 615368208 /nfs/dbraw/zinc/36/82/08/615368208.db2.gz SIUFCUZUHQAGSQ-QWHCGFSZSA-N 2 0 269.389 -0.243 20 0 CBADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC000970494252 615537498 /nfs/dbraw/zinc/53/74/98/615537498.db2.gz NQGTVGZWEHCYMD-VXGBXAGGSA-N 2 0 294.399 -0.463 20 0 CBADRP CC[C@H](C(=O)N1CCC[N@H+](CCO)CC1)[NH+](C)C ZINC000981439835 615600709 /nfs/dbraw/zinc/60/07/09/615600709.db2.gz KDJKVLPEOOYAFC-GFCCVEGCSA-N 2 0 257.378 -0.147 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCO)C1)[NH+](C)C ZINC000971780471 615602336 /nfs/dbraw/zinc/60/23/36/615602336.db2.gz ZTVNOVHTVAJSBS-VXGBXAGGSA-N 2 0 257.378 -0.148 20 0 CBADRP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1)C1CC1 ZINC000968912778 615987683 /nfs/dbraw/zinc/98/76/83/615987683.db2.gz ROSRRQJIMZXUEX-PWSUYJOCSA-N 2 0 268.361 -0.998 20 0 CBADRP C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971801272 616111038 /nfs/dbraw/zinc/11/10/38/616111038.db2.gz OVAOQSNXTDLKPQ-CHWSQXEVSA-N 2 0 269.389 -0.004 20 0 CBADRP C[N@H+]([C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)[C@@H]1CCNC1=O ZINC000980406594 616115033 /nfs/dbraw/zinc/11/50/33/616115033.db2.gz QSYJELHBEACQHG-CHWSQXEVSA-N 2 0 294.399 -0.497 20 0 CBADRP C[N@H+]([C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)[C@H]1CCNC1=O ZINC000980406595 616117676 /nfs/dbraw/zinc/11/76/76/616117676.db2.gz QSYJELHBEACQHG-OLZOCXBDSA-N 2 0 294.399 -0.497 20 0 CBADRP C[N@H+](CCO)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972235976 616166679 /nfs/dbraw/zinc/16/66/79/616166679.db2.gz UJGYUPDAEJPPLL-ZDUSSCGKSA-N 2 0 269.389 -0.147 20 0 CBADRP C[N@H+](CCO)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000972633653 616175013 /nfs/dbraw/zinc/17/50/13/616175013.db2.gz BCBKAOMYBAHJLN-CYBMUJFWSA-N 2 0 299.415 -0.378 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969097400 616179572 /nfs/dbraw/zinc/17/95/72/616179572.db2.gz BSXFJCRUOXRNCZ-VXGBXAGGSA-N 2 0 255.362 -0.347 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](CCCO)CC1 ZINC000980839783 616191584 /nfs/dbraw/zinc/19/15/84/616191584.db2.gz NCLZRYCCWXBCJA-CYBMUJFWSA-N 2 0 269.389 -0.003 20 0 CBADRP CN1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCO)CC2(C)C)C1 ZINC000972991032 616259860 /nfs/dbraw/zinc/25/98/60/616259860.db2.gz CNOXLUBDTIQXDZ-QWHCGFSZSA-N 2 0 299.415 -0.474 20 0 CBADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CCC([NH2+]CC(N)=O)CC1 ZINC000964377234 616263885 /nfs/dbraw/zinc/26/38/85/616263885.db2.gz DBBIQYWWZUFCFG-PNESKVBLSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CC(N)=O)C3)C1 ZINC000965912693 616265831 /nfs/dbraw/zinc/26/58/31/616265831.db2.gz QOMDWIFGLXPQQW-VQZBUAOQSA-N 2 0 294.399 -0.560 20 0 CBADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CCC([NH2+]CC(N)=O)CC1 ZINC000964377233 616353199 /nfs/dbraw/zinc/35/31/99/616353199.db2.gz DBBIQYWWZUFCFG-HIFPTAJRSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000979078219 616373193 /nfs/dbraw/zinc/37/31/93/616373193.db2.gz DHOURQRCNYOCCJ-ZDEQEGDKSA-N 2 0 267.373 -0.776 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[NH+](CCO)CC2(C)C)C1 ZINC000977604304 616379665 /nfs/dbraw/zinc/37/96/65/616379665.db2.gz VSWIQHXXAMCDGO-RYUDHWBXSA-N 2 0 269.389 -0.243 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000970481226 616389481 /nfs/dbraw/zinc/38/94/81/616389481.db2.gz AILXINFTNUHZHE-VXGBXAGGSA-N 2 0 255.362 -0.489 20 0 CBADRP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC000960525742 616468775 /nfs/dbraw/zinc/46/87/75/616468775.db2.gz KWVIDLXWSBLJSO-RGDJUOJXSA-N 2 0 297.399 -0.602 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000236844992 656116144 /nfs/dbraw/zinc/11/61/44/656116144.db2.gz VYTWJRMHYLWFFH-LBPRGKRZSA-N 2 0 256.394 -0.404 20 0 CBADRP [NH3+]CCCOCCNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923664657 658388090 /nfs/dbraw/zinc/38/80/90/658388090.db2.gz ZSZUHGCIBGHANM-SNVBAGLBSA-N 2 0 265.379 -0.977 20 0 CBADRP [NH3+][C@H]1CCCCCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923663055 658388401 /nfs/dbraw/zinc/38/84/01/658388401.db2.gz VBEPOFFSMHVGNO-NSHDSACASA-N 2 0 276.406 -0.660 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000923674952 658393509 /nfs/dbraw/zinc/39/35/09/658393509.db2.gz WEHNYPCKXRQISW-UTUOFQBUSA-N 2 0 275.418 -0.015 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923673342 658393655 /nfs/dbraw/zinc/39/36/55/658393655.db2.gz JHYDILORGGLSRZ-UTUOFQBUSA-N 2 0 275.418 -0.097 20 0 CBADRP Nc1cc[nH+]c(CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000923674155 658394185 /nfs/dbraw/zinc/39/41/85/658394185.db2.gz NPWPKUMPUXKJEZ-LLVKDONJSA-N 2 0 270.358 -0.165 20 0 CBADRP [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)C1C[NH2+]C1)CC2 ZINC000923687989 658396764 /nfs/dbraw/zinc/39/67/64/658396764.db2.gz OUOBFJSFAJBIMJ-SNVBAGLBSA-N 2 0 289.401 -0.882 20 0 CBADRP C[C@H](NC(C[NH3+])C[NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000923352716 658223923 /nfs/dbraw/zinc/22/39/23/658223923.db2.gz QOLZROPXUGXDTE-JBLDHEPKSA-N 2 0 256.394 -0.055 20 0 CBADRP C[C@@H]1Cc2ccccc2N1C(=O)CNC(C[NH3+])C[NH3+] ZINC000923352595 658224385 /nfs/dbraw/zinc/22/43/85/658224385.db2.gz PCBCSGUDKPMRTQ-SNVBAGLBSA-N 2 0 262.357 -0.160 20 0 CBADRP [NH3+]CC(C[NH3+])NCC(=O)NCC1(c2ccccc2)CC1 ZINC000923351857 658225189 /nfs/dbraw/zinc/22/51/89/658225189.db2.gz OMPLOEIAJJCNCU-UHFFFAOYSA-N 2 0 276.384 -0.290 20 0 CBADRP C[C@H]1CCCC[C@@H]1N(C)C(=O)CNC(C[NH3+])C[NH3+] ZINC000923351298 658225236 /nfs/dbraw/zinc/22/52/36/658225236.db2.gz HBVWIGSXCIDQLK-JQWIXIFHSA-N 2 0 256.394 -0.101 20 0 CBADRP CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923384386 658245693 /nfs/dbraw/zinc/24/56/93/658245693.db2.gz GQXJPMUWZMOTBW-FTYOSLGDSA-N 2 0 295.305 -0.163 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000923379236 658245755 /nfs/dbraw/zinc/24/57/55/658245755.db2.gz ZVPQNXOCKKHCJM-UPJWGTAASA-N 2 0 270.373 -0.306 20 0 CBADRP CN1CC(=O)N(CC[NH2+][C@@H]2CCCC[C@H]2[NH3+])C1=O ZINC000923381970 658246411 /nfs/dbraw/zinc/24/64/11/658246411.db2.gz NDJPTQSMNYWYHY-NXEZZACHSA-N 2 0 254.334 -0.260 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923378545 658246500 /nfs/dbraw/zinc/24/65/00/658246500.db2.gz FCNKTRAPRBTVOL-KBPBESRZSA-N 2 0 271.405 -0.247 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000923380678 658247027 /nfs/dbraw/zinc/24/70/27/658247027.db2.gz BJGSZQHXUPEFDV-JHJVBQTASA-N 2 0 259.394 -0.215 20 0 CBADRP CC(C)COC[C@@H](O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000923381828 658247209 /nfs/dbraw/zinc/24/72/09/658247209.db2.gz PWARORZZLKGXGR-LBPRGKRZSA-N 2 0 260.378 -0.195 20 0 CBADRP COC[C@](C)(CC(=O)OC)[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923376135 658247828 /nfs/dbraw/zinc/24/78/28/658247828.db2.gz JCJYFTYAIRTDCQ-AAEUAGOBSA-N 2 0 286.372 -0.077 20 0 CBADRP CNC(=O)NC(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923455388 658285715 /nfs/dbraw/zinc/28/57/15/658285715.db2.gz LISAMRBQXVXPED-JTQLQIEISA-N 2 0 284.360 -0.728 20 0 CBADRP CCNC(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449890 658286416 /nfs/dbraw/zinc/28/64/16/658286416.db2.gz DBKSRCRFFRMEBF-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923456710 658286605 /nfs/dbraw/zinc/28/66/05/658286605.db2.gz FBMSMYCMGNUYTJ-MELADBBJSA-N 2 0 271.405 -0.391 20 0 CBADRP Cn1nnnc1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923450861 658286684 /nfs/dbraw/zinc/28/66/84/658286684.db2.gz JSAPYULCVDJNGE-JTQLQIEISA-N 2 0 266.349 -0.460 20 0 CBADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@@H]1CNCCO1)CC2 ZINC000923450984 658288807 /nfs/dbraw/zinc/28/88/07/658288807.db2.gz IZTSONGPWNOJFQ-OLZOCXBDSA-N 2 0 269.389 -0.195 20 0 CBADRP NS(=O)(=O)C[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000923531090 658315589 /nfs/dbraw/zinc/31/55/89/658315589.db2.gz NTHFJFJRWKSOKQ-RYUDHWBXSA-N 2 0 275.418 -0.014 20 0 CBADRP CN(C)c1cc[nH+]c(CNS(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000923678184 658397894 /nfs/dbraw/zinc/39/78/94/658397894.db2.gz UAPRCDNUAYTFHN-UHFFFAOYSA-N 2 0 299.400 -0.613 20 0 CBADRP C[C@@H]1C[C@@H](N(C)S(=O)(=O)N2CC[NH2+]CC2)CC[N@@H+]1C ZINC000923619584 658355776 /nfs/dbraw/zinc/35/57/76/658355776.db2.gz XNDOTSZNNMCZIK-NEPJUHHUSA-N 2 0 290.433 -0.449 20 0 CBADRP CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923622876 658356917 /nfs/dbraw/zinc/35/69/17/658356917.db2.gz SUZIVCHUGRTHTM-NSHDSACASA-N 2 0 275.418 -0.048 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923639445 658367979 /nfs/dbraw/zinc/36/79/79/658367979.db2.gz NGHONZAOFGJXLO-GMTAPVOTSA-N 2 0 261.391 -0.344 20 0 CBADRP O=S(=O)(NCC1=CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000923638625 658368030 /nfs/dbraw/zinc/36/80/30/658368030.db2.gz QENRCTGRBSBKHF-LLVKDONJSA-N 2 0 259.375 -0.423 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923637698 658368689 /nfs/dbraw/zinc/36/86/89/658368689.db2.gz ZNDNVEFVXGBNLX-OUAUKWLOSA-N 2 0 261.391 -0.072 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)N3CC[NH2+]CC3)C[C@H]21 ZINC000923637510 658369543 /nfs/dbraw/zinc/36/95/43/658369543.db2.gz QJPZXJCYSLAICW-IJLUTSLNSA-N 2 0 288.417 -0.804 20 0 CBADRP O=S(=O)(N[C@H]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000923638671 658369811 /nfs/dbraw/zinc/36/98/11/658369811.db2.gz RDTOSWOSEBPCPT-WDEREUQCSA-N 2 0 261.391 -0.200 20 0 CBADRP O=S(=O)(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000923643468 658370693 /nfs/dbraw/zinc/37/06/93/658370693.db2.gz CKSDDGBUKBLRJW-GHMZBOCLSA-N 2 0 277.390 -0.964 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000923639982 658370711 /nfs/dbraw/zinc/37/07/11/658370711.db2.gz VZGLLUWYKCUBFC-LLVKDONJSA-N 2 0 259.375 -0.637 20 0 CBADRP [NH3+]CC[C@@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)C(F)F ZINC000923642687 658371378 /nfs/dbraw/zinc/37/13/78/658371378.db2.gz XRQUMXRYGGNCGG-JGVFFNPUSA-N 2 0 271.333 -0.360 20 0 CBADRP O=S(=O)(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000923644108 658371515 /nfs/dbraw/zinc/37/15/15/658371515.db2.gz HPQSFBTXZKKZEC-GUBZILKMSA-N 2 0 265.354 -0.642 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000923639946 658371928 /nfs/dbraw/zinc/37/19/28/658371928.db2.gz HDSJDRWOZJYEOO-NSHDSACASA-N 2 0 273.402 -0.391 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000923639983 658372185 /nfs/dbraw/zinc/37/21/85/658372185.db2.gz VZGLLUWYKCUBFC-NSHDSACASA-N 2 0 259.375 -0.637 20 0 CBADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000923643717 658372211 /nfs/dbraw/zinc/37/22/11/658372211.db2.gz GMDHOWRAARMQJS-UTUOFQBUSA-N 2 0 273.402 -0.248 20 0 CBADRP [NH3+]CCCCCCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923653764 658379891 /nfs/dbraw/zinc/37/98/91/658379891.db2.gz YFYJFUGKDHOUBF-UHFFFAOYSA-N 2 0 264.395 -0.755 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923655603 658381809 /nfs/dbraw/zinc/38/18/09/658381809.db2.gz PPRVNKDCXKQPAH-LBPRGKRZSA-N 2 0 287.429 0.000 20 0 CBADRP C[C@@H]1CC[C@@H](NS(=O)(=O)[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000923664604 658387373 /nfs/dbraw/zinc/38/73/73/658387373.db2.gz YQJNXTYVJVRLOU-MXWKQRLJSA-N 2 0 261.391 -0.202 20 0 CBADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000925669226 658864701 /nfs/dbraw/zinc/86/47/01/658864701.db2.gz RGWJCLJZTDEYGQ-NSHDSACASA-N 2 0 253.350 -0.109 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000928448373 659022889 /nfs/dbraw/zinc/02/28/89/659022889.db2.gz NVUJOAMOXMJZQW-STQMWFEESA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@@H](O)[C@@H](O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000930501426 659298038 /nfs/dbraw/zinc/29/80/38/659298038.db2.gz BJAPFOMASGCFIW-OLZOCXBDSA-N 2 0 261.410 -0.457 20 0 CBADRP CNS(=O)(=O)CCC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440658 659461046 /nfs/dbraw/zinc/46/10/46/659461046.db2.gz ZWZOBYJYQVLROJ-NWDGAFQWSA-N 2 0 275.418 -0.191 20 0 CBADRP C[NH+](C)CC1(O)CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000931485092 659471880 /nfs/dbraw/zinc/47/18/80/659471880.db2.gz YMJFQXHEXOJESA-ZDUSSCGKSA-N 2 0 282.388 -0.368 20 0 CBADRP C[NH+](C)CC1(O)CC[NH+](C[C@@H](O)CC(C)(C)O)CC1 ZINC000931479832 659471960 /nfs/dbraw/zinc/47/19/60/659471960.db2.gz DEQBRROPGBJMSO-LBPRGKRZSA-N 2 0 274.405 -0.103 20 0 CBADRP C[NH+](C)CC1(O)CC[NH+](C[C@@H](O)C2(O)CCC2)CC1 ZINC000931479411 659472302 /nfs/dbraw/zinc/47/23/02/659472302.db2.gz QUZBMLSNFVKZKZ-GFCCVEGCSA-N 2 0 272.389 -0.349 20 0 CBADRP C[N@@H+]1CCC[C@@H](CNS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000044539447 656010652 /nfs/dbraw/zinc/01/06/52/656010652.db2.gz LJQNRMURISXMPR-NSHDSACASA-N 2 0 276.406 -0.932 20 0 CBADRP C[NH+](C)CCN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000089892852 656056169 /nfs/dbraw/zinc/05/61/69/656056169.db2.gz GPWVSEYYOSVMNO-UHFFFAOYSA-N 2 0 268.405 -0.212 20 0 CBADRP CN(C)C(=O)CN1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000121178463 656066633 /nfs/dbraw/zinc/06/66/33/656066633.db2.gz TUVCCZBCEZLJOK-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP COCCOCCOCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000126570232 656068159 /nfs/dbraw/zinc/06/81/59/656068159.db2.gz VPAWEAGXDWZUJB-BETUJISGSA-N 2 0 258.362 -0.183 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000178794737 656089235 /nfs/dbraw/zinc/08/92/35/656089235.db2.gz UDBUJUVNRBGMGH-UHFFFAOYSA-N 2 0 299.415 -0.207 20 0 CBADRP CC(C)(C[NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252545948 656123322 /nfs/dbraw/zinc/12/33/22/656123322.db2.gz JYSICTHSVXUPOG-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252539407 656123446 /nfs/dbraw/zinc/12/34/46/656123446.db2.gz BNXRJKWPXBCNNV-QJPTWQEYSA-N 2 0 255.362 -0.051 20 0 CBADRP C[NH+]1CCN(CCNC(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000261581476 656124883 /nfs/dbraw/zinc/12/48/83/656124883.db2.gz GDAWNIXIHUINSF-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000306081371 656142026 /nfs/dbraw/zinc/14/20/26/656142026.db2.gz IIFONGNEVZBLHM-OLZOCXBDSA-N 2 0 258.362 -0.304 20 0 CBADRP COCCOC[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000306081373 656142099 /nfs/dbraw/zinc/14/20/99/656142099.db2.gz IIFONGNEVZBLHM-STQMWFEESA-N 2 0 258.362 -0.304 20 0 CBADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000311586923 656145754 /nfs/dbraw/zinc/14/57/54/656145754.db2.gz YYGFMHDEBHOFGD-BFHYXJOUSA-N 2 0 272.389 -0.106 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000311752068 656146279 /nfs/dbraw/zinc/14/62/79/656146279.db2.gz VBYIZVACTFDCOD-MCIONIFRSA-N 2 0 273.421 -0.015 20 0 CBADRP C[N@H+](C[C@H](O)CNC[C@H]1C[NH+]2CCC[C@H]2CO1)C1CC1 ZINC000312321604 656146768 /nfs/dbraw/zinc/14/67/68/656146768.db2.gz GKBHVJZZSIUBBK-ZNMIVQPWSA-N 2 0 283.416 -0.106 20 0 CBADRP C[N@H+](C[C@H](O)CNC[C@H]1C[NH+]2CCC[C@@H]2CO1)C1CC1 ZINC000312321600 656146881 /nfs/dbraw/zinc/14/68/81/656146881.db2.gz GKBHVJZZSIUBBK-KFWWJZLASA-N 2 0 283.416 -0.106 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000423147534 656167483 /nfs/dbraw/zinc/16/74/83/656167483.db2.gz CSYVFZDRUWKEDQ-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)[NH+](C)C ZINC000446287785 656172178 /nfs/dbraw/zinc/17/21/78/656172178.db2.gz LSLKFVTXRKYAOL-MRVPVSSYSA-N 2 0 251.334 -0.265 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702335938 656180108 /nfs/dbraw/zinc/18/01/08/656180108.db2.gz BQGCKGWLLNNLJX-SOUVJXGZSA-N 2 0 285.432 -0.191 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000702348545 656180116 /nfs/dbraw/zinc/18/01/16/656180116.db2.gz CPJWSAGXHARJIQ-MNOVXSKESA-N 2 0 256.394 -0.136 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NCCC[NH+]1CCCCC1 ZINC000702422852 656180657 /nfs/dbraw/zinc/18/06/57/656180657.db2.gz UGGXMOXXLGEGKV-LBPRGKRZSA-N 2 0 256.394 -0.133 20 0 CBADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703539125 656183355 /nfs/dbraw/zinc/18/33/55/656183355.db2.gz XBCCJLHPGQZVTK-YNEHKIRRSA-N 2 0 258.362 -0.448 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H](N)C[NH+](C)C ZINC000705179165 656185038 /nfs/dbraw/zinc/18/50/38/656185038.db2.gz SXSCPSPPMFXVGX-NEPJUHHUSA-N 2 0 256.394 -0.325 20 0 CBADRP C[NH+](C)CC1(O)CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000710572024 656198612 /nfs/dbraw/zinc/19/86/12/656198612.db2.gz YJFXWEMKVCQQDO-CQSZACIVSA-N 2 0 285.432 -0.170 20 0 CBADRP CCOC(=O)COCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710607011 656198756 /nfs/dbraw/zinc/19/87/56/656198756.db2.gz MWKNRCAGIXAZFZ-UHFFFAOYSA-N 2 0 288.388 -0.045 20 0 CBADRP CCN1CC[C@H]([NH+]2CCC(O)(C[NH+](C)C)CC2)C1=O ZINC000710588604 656198817 /nfs/dbraw/zinc/19/88/17/656198817.db2.gz MHBKCZCXJLDQHY-LBPRGKRZSA-N 2 0 269.389 -0.004 20 0 CBADRP CNC(=O)CCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710625562 656199110 /nfs/dbraw/zinc/19/91/10/656199110.db2.gz AMDMFIHXLYIPAY-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP C[NH+](C)CC1(O)CC[NH+](C[C@H]2COCCO2)CC1 ZINC000710607299 656199342 /nfs/dbraw/zinc/19/93/42/656199342.db2.gz OBQIQCSJAVICPV-LBPRGKRZSA-N 2 0 258.362 -0.210 20 0 CBADRP C[NH2+]CCCN(C)C(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710710138 656199972 /nfs/dbraw/zinc/19/99/72/656199972.db2.gz HGXCXZHVKWJFPA-GFCCVEGCSA-N 2 0 259.350 -0.941 20 0 CBADRP COC[C@]1(C(=O)N(C)C2CC[NH+](C)CC2)C[NH2+]CCO1 ZINC000710782020 656201263 /nfs/dbraw/zinc/20/12/63/656201263.db2.gz DPFNYUYAAXIMRI-AWEZNQCLSA-N 2 0 285.388 -0.456 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710784761 656201771 /nfs/dbraw/zinc/20/17/71/656201771.db2.gz TUFAFQNKBOBBGS-TZMCWYRMSA-N 2 0 285.388 -0.408 20 0 CBADRP COC[C@]1(C(=O)N2CCC([NH+](C)C)CC2)C[NH2+]CCO1 ZINC000710782128 656201960 /nfs/dbraw/zinc/20/19/60/656201960.db2.gz GLUVBFZKCGHILI-AWEZNQCLSA-N 2 0 285.388 -0.456 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711396129 656208347 /nfs/dbraw/zinc/20/83/47/656208347.db2.gz RXBODCQEJFINND-LLVKDONJSA-N 2 0 257.378 -0.074 20 0 CBADRP C[N@@H+]1CCN(C(=O)CN2CC[NH2+]CC2)CCC1(C)C ZINC000712683999 656211569 /nfs/dbraw/zinc/21/15/69/656211569.db2.gz IYGLFRGKSFXVEO-UHFFFAOYSA-N 2 0 268.405 -0.166 20 0 CBADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000714246149 656214769 /nfs/dbraw/zinc/21/47/69/656214769.db2.gz JILGAKDLWUHHSY-GMTAPVOTSA-N 2 0 264.391 -0.095 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000715032532 656218129 /nfs/dbraw/zinc/21/81/29/656218129.db2.gz DJVINRWSYPGKAR-QLFBSQMISA-N 2 0 285.432 -0.001 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1(F)F ZINC000715094852 656218740 /nfs/dbraw/zinc/21/87/40/656218740.db2.gz PFLNIGNLIJXKGM-UKKRHICBSA-N 2 0 289.326 -0.194 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)C2C[NH2+]C2)C1 ZINC000715540947 656220040 /nfs/dbraw/zinc/22/00/40/656220040.db2.gz URWQDUIGUPAELQ-ZJUUUORDSA-N 2 0 261.391 -0.250 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cn1 ZINC000877242117 656246269 /nfs/dbraw/zinc/24/62/69/656246269.db2.gz DPFGAZLZEVZHJS-KLPPZKSPSA-N 2 0 265.361 -0.088 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C[NH2+]C[C@H]1CCCO1)C2 ZINC000877380057 656246305 /nfs/dbraw/zinc/24/63/05/656246305.db2.gz QCNPLZOEXFFIDP-OUCADQQQSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000884640337 656253683 /nfs/dbraw/zinc/25/36/83/656253683.db2.gz BHWRDCRPRRDDRE-RYUDHWBXSA-N 2 0 296.415 -0.075 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(CC)[C@H]2CC[NH2+]C2)C1 ZINC000884787052 656255297 /nfs/dbraw/zinc/25/52/97/656255297.db2.gz FJDHHAAOQPWVPU-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884797755 656255983 /nfs/dbraw/zinc/25/59/83/656255983.db2.gz XAEHUHAMVBTOOI-SDDRHHMPSA-N 2 0 282.388 -0.737 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884910844 656258057 /nfs/dbraw/zinc/25/80/57/656258057.db2.gz FCFMKSHFFXMOPB-HAQNSBGRSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000890066197 656269886 /nfs/dbraw/zinc/26/98/86/656269886.db2.gz QFZXSDFJIOATAI-YPMHNXCESA-N 2 0 272.393 -0.308 20 0 CBADRP CN1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)[C@H](C[NH3+])C1 ZINC000892436760 656271704 /nfs/dbraw/zinc/27/17/04/656271704.db2.gz ZMBQXXLDIDIXQN-JHJVBQTASA-N 2 0 283.420 -0.212 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000897764839 656294768 /nfs/dbraw/zinc/29/47/68/656294768.db2.gz PXTKDCGEILYRSD-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H](C(N)=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903506614 656322026 /nfs/dbraw/zinc/32/20/26/656322026.db2.gz CBKVIUNJQCOAEM-WCFLWFBJSA-N 2 0 266.389 -0.239 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000903754975 656322501 /nfs/dbraw/zinc/32/25/01/656322501.db2.gz WQONUQRYDBPDGK-OLZOCXBDSA-N 2 0 296.415 -0.264 20 0 CBADRP COC(=O)C1(C[NH2+]C2CCN(CC[NH3+])CC2)CC1 ZINC000904368435 656325663 /nfs/dbraw/zinc/32/56/63/656325663.db2.gz JIYHUESWSDTROS-UHFFFAOYSA-N 2 0 255.362 -0.048 20 0 CBADRP CCc1nn(C)cc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904397007 656325683 /nfs/dbraw/zinc/32/56/83/656325683.db2.gz VRSMPNALDQDBOD-UHFFFAOYSA-N 2 0 251.378 -0.023 20 0 CBADRP C[C@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@H]1C[NH3+] ZINC000904410969 656326921 /nfs/dbraw/zinc/32/69/21/656326921.db2.gz ICHZMQGPEFZYDV-QWRGUYRKSA-N 2 0 280.372 -0.499 20 0 CBADRP C[C@]1(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)CCC[NH2+]C1 ZINC000904428427 656326957 /nfs/dbraw/zinc/32/69/57/656326957.db2.gz KHOSHKMZCQKZEO-RYUDHWBXSA-N 2 0 275.418 -0.014 20 0 CBADRP CN1CCN(c2ncc(C[NH2+]CCCON)cn2)CC1 ZINC000904455731 656327698 /nfs/dbraw/zinc/32/76/98/656327698.db2.gz AOUXSBVFUDLHQS-UHFFFAOYSA-N 2 0 280.376 -0.402 20 0 CBADRP CC[N@H+](CCC(=O)NC)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000904470640 656328664 /nfs/dbraw/zinc/32/86/64/656328664.db2.gz ZYKUTFKFTDBQSH-LBPRGKRZSA-N 2 0 284.404 -0.358 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000904959590 656330690 /nfs/dbraw/zinc/33/06/90/656330690.db2.gz RQRXNJSOUPHZKA-JUFZMCDQSA-N 2 0 294.399 -0.655 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC[NH2+]1 ZINC000904962422 656331311 /nfs/dbraw/zinc/33/13/11/656331311.db2.gz COBKLJWRQDHVCB-SLEUVZQESA-N 2 0 294.399 -0.783 20 0 CBADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905109030 656339042 /nfs/dbraw/zinc/33/90/42/656339042.db2.gz BBVCLNXDONHDGE-NEPJUHHUSA-N 2 0 260.378 -0.181 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000905002197 656332474 /nfs/dbraw/zinc/33/24/74/656332474.db2.gz RNVBXDSNLFKFQH-SMDDNHRTSA-N 2 0 282.388 -0.654 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NCCC[NH+](C)C)C1 ZINC000905051201 656335563 /nfs/dbraw/zinc/33/55/63/656335563.db2.gz VDPPCAUOOMKZEZ-UHFFFAOYSA-N 2 0 256.394 -0.452 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@H]1CCC[NH2+]C1 ZINC000905328956 656349219 /nfs/dbraw/zinc/34/92/19/656349219.db2.gz FPVKEXAIPPZNHD-LBPRGKRZSA-N 2 0 275.418 -0.095 20 0 CBADRP COCC[NH2+]CCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905343865 656350528 /nfs/dbraw/zinc/35/05/28/656350528.db2.gz LEVPTOLNFNJKCQ-UHFFFAOYSA-N 2 0 279.406 -0.859 20 0 CBADRP C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905343922 656350666 /nfs/dbraw/zinc/35/06/66/656350666.db2.gz LPJBRZCDKPQIJY-ONGXEEELSA-N 2 0 261.391 -0.263 20 0 CBADRP C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905343921 656350777 /nfs/dbraw/zinc/35/07/77/656350777.db2.gz LPJBRZCDKPQIJY-MWLCHTKSSA-N 2 0 261.391 -0.263 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905343994 656351018 /nfs/dbraw/zinc/35/10/18/656351018.db2.gz SVVWAYSZKFCLOX-ZYHUDNBSSA-N 2 0 275.418 -0.015 20 0 CBADRP C[C@H]1[NH2+]CCN(S(=O)(=O)CC2CC[NH2+]CC2)[C@@H]1C ZINC000905345371 656351503 /nfs/dbraw/zinc/35/15/03/656351503.db2.gz VWFCGRDQEDROKX-GHMZBOCLSA-N 2 0 275.418 -0.002 20 0 CBADRP C[NH2+]C[C@H](O)CNC[C@@H](O)C[C@@H](O)c1ccccc1 ZINC000905355056 656352339 /nfs/dbraw/zinc/35/23/39/656352339.db2.gz RJEUECDWNVTWIL-MELADBBJSA-N 2 0 268.357 -0.359 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000905357420 656353008 /nfs/dbraw/zinc/35/30/08/656353008.db2.gz MILQMPGDOYDZHC-SNVBAGLBSA-N 2 0 263.407 -0.002 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000905357419 656353254 /nfs/dbraw/zinc/35/32/54/656353254.db2.gz MILQMPGDOYDZHC-JTQLQIEISA-N 2 0 263.407 -0.002 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCN2CCC(C)(C)C2)CC1 ZINC000905678953 656365440 /nfs/dbraw/zinc/36/54/40/656365440.db2.gz NQIJWTOMMNSMLB-OAHLLOKOSA-N 2 0 298.475 -0.084 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CN1C(=O)N[C@@]2(CCC[NH2+]C2)C1=O ZINC000905735882 656367295 /nfs/dbraw/zinc/36/72/95/656367295.db2.gz YGMRDKOPCDZMMM-GBIKHYSHSA-N 2 0 266.345 -0.484 20 0 CBADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1)[NH+](C)C ZINC000996315605 656407252 /nfs/dbraw/zinc/40/72/52/656407252.db2.gz PUHYDVPIENGDNG-WDEREUQCSA-N 2 0 284.404 -0.362 20 0 CBADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCO ZINC000996521395 656418149 /nfs/dbraw/zinc/41/81/49/656418149.db2.gz RZLAZDDOQXSRPJ-LBPRGKRZSA-N 2 0 281.400 -0.099 20 0 CBADRP O=C([C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]CCO)CC1 ZINC000996619632 656447289 /nfs/dbraw/zinc/44/72/89/656447289.db2.gz JCUPSFNNIBPOKO-ZIAGYGMSSA-N 2 0 297.399 -0.578 20 0 CBADRP C[C@H]([NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1)C(N)=O ZINC000996679108 656451455 /nfs/dbraw/zinc/45/14/55/656451455.db2.gz PXWQTQWEJCNNHI-GXFFZTMASA-N 2 0 296.415 -0.219 20 0 CBADRP C[NH+](C)C1(C(=O)N2CCC([NH2+]CC(N)=O)CC2)CCC1 ZINC000996666371 656452115 /nfs/dbraw/zinc/45/21/15/656452115.db2.gz PXWPMZNZPIGWFK-UHFFFAOYSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC000996713760 656454536 /nfs/dbraw/zinc/45/45/36/656454536.db2.gz WZZCTTBFVDHRGC-CMPLNLGQSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997012802 656463173 /nfs/dbraw/zinc/46/31/73/656463173.db2.gz YJSLSBPKFGUCLA-JQWIXIFHSA-N 2 0 282.388 -0.750 20 0 CBADRP CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1)[NH+](C)C ZINC000997011177 656463618 /nfs/dbraw/zinc/46/36/18/656463618.db2.gz WZZCTTBFVDHRGC-PWSUYJOCSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997012785 656463900 /nfs/dbraw/zinc/46/39/00/656463900.db2.gz YJSLSBPKFGUCLA-CMPLNLGQSA-N 2 0 282.388 -0.750 20 0 CBADRP CC[C@@H](C(=O)N1CCC([NH2+]CCO)CC1)[NH+](C)C ZINC000997014342 656464254 /nfs/dbraw/zinc/46/42/54/656464254.db2.gz HXBIGFQFKBKYPX-LBPRGKRZSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H]([NH2+]C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC000997179915 656469192 /nfs/dbraw/zinc/46/91/92/656469192.db2.gz MBSOYBTWWYTDQO-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]([NH2+]C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC000997179912 656469373 /nfs/dbraw/zinc/46/93/73/656469373.db2.gz MBSOYBTWWYTDQO-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997299518 656471804 /nfs/dbraw/zinc/47/18/04/656471804.db2.gz OTVWKGGLTYDZEQ-RYUDHWBXSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC000997297382 656471863 /nfs/dbraw/zinc/47/18/63/656471863.db2.gz FRGDVZUDEUSHOZ-WCQYABFASA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@H]([NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1)C(N)=O ZINC000997307831 656472664 /nfs/dbraw/zinc/47/26/64/656472664.db2.gz WYLYYNOTZIIDCM-ZDUSSCGKSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)c1ccnn1CC[NH+](C)C ZINC000907440218 656505705 /nfs/dbraw/zinc/50/57/05/656505705.db2.gz DMWCTNFZCIIWRD-UHFFFAOYSA-N 2 0 297.403 -0.511 20 0 CBADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]CC(N)=O)C1 ZINC000998550679 656546303 /nfs/dbraw/zinc/54/63/03/656546303.db2.gz OJEGEANOZGXDLC-VQXHTEKXSA-N 2 0 268.361 -0.855 20 0 CBADRP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000907780440 656572823 /nfs/dbraw/zinc/57/28/23/656572823.db2.gz FBBLMYUKFVSGLG-VHDGCEQUSA-N 2 0 299.415 -0.643 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC000998764732 656580911 /nfs/dbraw/zinc/58/09/11/656580911.db2.gz UJXBLHVEPWYKKX-WXRRBKDZSA-N 2 0 296.415 -0.077 20 0 CBADRP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000907805512 656581484 /nfs/dbraw/zinc/58/14/84/656581484.db2.gz SDYDBWALBHZWSZ-KZVDOYCCSA-N 2 0 267.373 -0.539 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)C[C@H]2C1 ZINC000907804796 656581569 /nfs/dbraw/zinc/58/15/69/656581569.db2.gz JLWXYZTUYIZMKH-SCRDCRAPSA-N 2 0 279.384 -0.273 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000999146466 656612504 /nfs/dbraw/zinc/61/25/04/656612504.db2.gz WJGGGTFIWSTEDC-OLZOCXBDSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC000999363342 656625097 /nfs/dbraw/zinc/62/50/97/656625097.db2.gz GONBEHBKPXPBNT-NEPJUHHUSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCO)C1)C1CC1 ZINC000999374739 656625668 /nfs/dbraw/zinc/62/56/68/656625668.db2.gz RYQIAVVEORKDSI-CHWSQXEVSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCO)C1)C1CC1 ZINC000999374764 656626263 /nfs/dbraw/zinc/62/62/63/656626263.db2.gz RYQIAVVEORKDSI-STQMWFEESA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC000999404453 656628055 /nfs/dbraw/zinc/62/80/55/656628055.db2.gz WROLMDSUMVKQAB-VOMCLLRMSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]CCO)C2)C1 ZINC000999408415 656628727 /nfs/dbraw/zinc/62/87/27/656628727.db2.gz KLXJSBVJRFUFOC-HIFPTAJRSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCO)C1)[NH+](C)C ZINC000999488789 656631269 /nfs/dbraw/zinc/63/12/69/656631269.db2.gz HFPKIEYKGWMCDI-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC([NH2+]CC(N)=O)C1 ZINC000999690409 656644978 /nfs/dbraw/zinc/64/49/78/656644978.db2.gz XVYKRODUAVISRY-VOMCLLRMSA-N 2 0 282.388 -0.608 20 0 CBADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]CC(N)=O)C1 ZINC000999690406 656646589 /nfs/dbraw/zinc/64/65/89/656646589.db2.gz XVYKRODUAVISRY-UNXYVOJBSA-N 2 0 282.388 -0.608 20 0 CBADRP CCN1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)[C@@H](C)C1 ZINC000908136250 656653340 /nfs/dbraw/zinc/65/33/40/656653340.db2.gz BKDVZRCFDJORJH-SCRDCRAPSA-N 2 0 269.389 -0.006 20 0 CBADRP CC(C)(C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC000999877642 656662966 /nfs/dbraw/zinc/66/29/66/656662966.db2.gz VUJFJGWFFQWCMH-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000908200585 656665641 /nfs/dbraw/zinc/66/56/41/656665641.db2.gz JSJDWLLVTVFQOS-UPJWGTAASA-N 2 0 269.389 -0.006 20 0 CBADRP O=C(N[C@H](CO)C[NH+]1CCCC1)C12CC[NH+](CC1)C2 ZINC000908202313 656668088 /nfs/dbraw/zinc/66/80/88/656668088.db2.gz BJKMPCLXWIJVBA-LBPRGKRZSA-N 2 0 267.373 -0.345 20 0 CBADRP C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000908205304 656670273 /nfs/dbraw/zinc/67/02/73/656670273.db2.gz NLMJLKQMVJKQAL-DZGCQCFKSA-N 2 0 299.415 -0.594 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC000908204392 656670749 /nfs/dbraw/zinc/67/07/49/656670749.db2.gz VFABHNIWLMLRQX-QVHKTLOISA-N 2 0 297.399 -0.891 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001000080417 656686925 /nfs/dbraw/zinc/68/69/25/656686925.db2.gz FHKWHHVXBKFSHT-WCQYABFASA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001000080212 656687254 /nfs/dbraw/zinc/68/72/54/656687254.db2.gz FHKWHHVXBKFSHT-AAEUAGOBSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001000105729 656691267 /nfs/dbraw/zinc/69/12/67/656691267.db2.gz RRTRBOZRJUZMDK-DGCLKSJQSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001000192529 656701766 /nfs/dbraw/zinc/70/17/66/656701766.db2.gz MQTAMDZHEFJYFT-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001000219948 656702719 /nfs/dbraw/zinc/70/27/19/656702719.db2.gz QPXOTGVPAFEWLJ-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCO)C1)[NH+](C)C ZINC001000224027 656703869 /nfs/dbraw/zinc/70/38/69/656703869.db2.gz HFPKIEYKGWMCDI-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)C[NH+](C)C ZINC000908345356 656707496 /nfs/dbraw/zinc/70/74/96/656707496.db2.gz DFHLJXXBIDUFTL-LBPRGKRZSA-N 2 0 270.421 -0.206 20 0 CBADRP C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@]3(O)CCC[NH+](C)C3)[C@@H]2C1 ZINC000908346424 656711268 /nfs/dbraw/zinc/71/12/68/656711268.db2.gz GYCMTEIAERWNLZ-GZBFAFLISA-N 2 0 281.400 -0.004 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001000992499 656779958 /nfs/dbraw/zinc/77/99/58/656779958.db2.gz MFCATMJXBOSANM-CYBMUJFWSA-N 2 0 296.415 -0.072 20 0 CBADRP CCN1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001000979781 656780222 /nfs/dbraw/zinc/78/02/22/656780222.db2.gz TVTZBUUWNOAAKV-OLZOCXBDSA-N 2 0 285.388 -0.720 20 0 CBADRP C[C@@H](C(=O)NCC(=O)NCC[NH+]1CCCCC1)[NH+](C)C ZINC000909313810 656806471 /nfs/dbraw/zinc/80/64/71/656806471.db2.gz UPTRLHARMXYONT-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001001831992 656822419 /nfs/dbraw/zinc/82/24/19/656822419.db2.gz BTUMFTNVJFWOTH-WCQYABFASA-N 2 0 296.415 -0.502 20 0 CBADRP CNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001002119679 656827167 /nfs/dbraw/zinc/82/71/67/656827167.db2.gz CSBYFBHBYODKEJ-ZDUSSCGKSA-N 2 0 296.415 -0.488 20 0 CBADRP CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001002476093 656835378 /nfs/dbraw/zinc/83/53/78/656835378.db2.gz PPARLLIWVNOIQO-YPMHNXCESA-N 2 0 296.415 -0.204 20 0 CBADRP CCN(C(=O)C(=O)NC[C@@H]1CCN1CC)[C@@H]1CC[N@H+](C)C1 ZINC000910735899 656887034 /nfs/dbraw/zinc/88/70/34/656887034.db2.gz GWIHLOUZHGBJPL-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CCN1CC[C@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000910731185 656887778 /nfs/dbraw/zinc/88/77/78/656887778.db2.gz UTQHVIOMWRSOHI-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000910960526 656912015 /nfs/dbraw/zinc/91/20/15/656912015.db2.gz VWARFBZWKLVXKR-DGCLKSJQSA-N 2 0 296.415 -0.219 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000910959968 656912223 /nfs/dbraw/zinc/91/22/23/656912223.db2.gz UBRJNSDHUJLTOL-NSHDSACASA-N 2 0 282.388 -0.608 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000910958123 656912273 /nfs/dbraw/zinc/91/22/73/656912273.db2.gz MSQIKIPZWANZKS-CYBMUJFWSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[NH+]1CCC(CNC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911004420 656926625 /nfs/dbraw/zinc/92/66/25/656926625.db2.gz PHXOVWVMIDLFQL-UHFFFAOYSA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000911009592 656928037 /nfs/dbraw/zinc/92/80/37/656928037.db2.gz SUIWTBMGUASAAQ-WISYIIOYSA-N 2 0 282.388 -0.691 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC[N@@H+]1C ZINC000911007403 656928526 /nfs/dbraw/zinc/92/85/26/656928526.db2.gz JPWMHDPFOGYYNQ-GRYCIOLGSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC[N@@H+]1C ZINC000911007409 656928555 /nfs/dbraw/zinc/92/85/55/656928555.db2.gz JPWMHDPFOGYYNQ-WOPDTQHZSA-N 2 0 296.415 -0.219 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2)C1CC1 ZINC000911059397 656937961 /nfs/dbraw/zinc/93/79/61/656937961.db2.gz GRGHTSZKRXMVED-HNNXBMFYSA-N 2 0 294.399 -0.449 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+])C1CC1 ZINC000911061425 656938500 /nfs/dbraw/zinc/93/85/00/656938500.db2.gz REZZJYXUWMWFQF-NHYWBVRUSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911072364 656939177 /nfs/dbraw/zinc/93/91/77/656939177.db2.gz JRIXCLIUPQIBGX-GMTAPVOTSA-N 2 0 270.377 -0.833 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000911073491 656940756 /nfs/dbraw/zinc/94/07/56/656940756.db2.gz SSZQFRYQJDZCSF-PWSUYJOCSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911073482 656940919 /nfs/dbraw/zinc/94/09/19/656940919.db2.gz SKSXHHRNSSMCNL-WRWGMCAJSA-N 2 0 282.388 -0.548 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000911074090 656940994 /nfs/dbraw/zinc/94/09/94/656940994.db2.gz YYRWWPJJGJXJIJ-RYUDHWBXSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911146720 656963717 /nfs/dbraw/zinc/96/37/17/656963717.db2.gz MZKDOZOUTTZUQW-WFFHOREQSA-N 2 0 294.399 -0.609 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911160356 656966713 /nfs/dbraw/zinc/96/67/13/656966713.db2.gz BVGBHFYBNDOFCV-JHJVBQTASA-N 2 0 296.415 -0.312 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911185676 656976074 /nfs/dbraw/zinc/97/60/74/656976074.db2.gz BLSVEEDBZFKYLT-FVCCEPFGSA-N 2 0 296.415 -0.158 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911187724 656976268 /nfs/dbraw/zinc/97/62/68/656976268.db2.gz PERNCIVRHZOMEX-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911186394 656976349 /nfs/dbraw/zinc/97/63/49/656976349.db2.gz IWBQOZPQTWZMEG-IJLUTSLNSA-N 2 0 284.404 -0.362 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CC1 ZINC000911188262 656977312 /nfs/dbraw/zinc/97/73/12/656977312.db2.gz SPPWUWHFJQWSQE-CYZMBNFOSA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CC1)C(C)(C)C[NH+](C)C ZINC000911196121 656979315 /nfs/dbraw/zinc/97/93/15/656979315.db2.gz AVCUSWJGUHJELP-SNVBAGLBSA-N 2 0 284.404 -0.314 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000911199135 656981791 /nfs/dbraw/zinc/98/17/91/656981791.db2.gz AGVIQZNYINAMED-OBJOEFQTSA-N 2 0 269.389 -0.006 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCO)C1 ZINC001006926874 656982377 /nfs/dbraw/zinc/98/23/77/656982377.db2.gz OAGIEVOGQVOWBK-RYUDHWBXSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)[N@H+](C)C1CC1 ZINC000911205535 656984808 /nfs/dbraw/zinc/98/48/08/656984808.db2.gz NBSLYMCVIBCVEN-DCAQKATOSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[N@H+](C)C1CC1 ZINC000911204819 656985666 /nfs/dbraw/zinc/98/56/66/656985666.db2.gz HUNOZZPKTBXKFQ-YRRQLQLVSA-N 2 0 294.399 -0.406 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000911215677 656986089 /nfs/dbraw/zinc/98/60/89/656986089.db2.gz RCQOBBBORPEXRO-RWMBFGLXSA-N 2 0 294.399 -0.321 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000911214440 656987407 /nfs/dbraw/zinc/98/74/07/656987407.db2.gz FBPPAIFQESVKAR-YVECIDJPSA-N 2 0 294.399 -0.547 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911212478 656987765 /nfs/dbraw/zinc/98/77/65/656987765.db2.gz ZPOBOMRKMYMDNK-LLVKDONJSA-N 2 0 282.388 -0.416 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000911215449 656988035 /nfs/dbraw/zinc/98/80/35/656988035.db2.gz QGDKIQOFWKWVSW-NEPJUHHUSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@@H](NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000911218857 656990149 /nfs/dbraw/zinc/99/01/49/656990149.db2.gz LTFYEDSWWQETJH-NQBHXWOUSA-N 2 0 294.399 -0.523 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000911224194 656991348 /nfs/dbraw/zinc/99/13/48/656991348.db2.gz VHHXEUOZLXDSHL-AVGNSLFASA-N 2 0 294.399 -0.560 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911257086 657000035 /nfs/dbraw/zinc/00/00/35/657000035.db2.gz CZFYUMUKFCQQIH-UPJWGTAASA-N 2 0 298.431 -0.195 20 0 CBADRP O=C(N[C@@H]1CCC[N@@H+](CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001007349258 657006618 /nfs/dbraw/zinc/00/66/18/657006618.db2.gz MFMVPHVINZRKPC-ZIAGYGMSSA-N 2 0 281.400 -0.099 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000911280095 657007599 /nfs/dbraw/zinc/00/75/99/657007599.db2.gz IHUZNCWTIQRKET-UHFFFAOYSA-N 2 0 296.415 -0.155 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911283104 657009539 /nfs/dbraw/zinc/00/95/39/657009539.db2.gz VKALMLIQJNHBIU-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000911292652 657012210 /nfs/dbraw/zinc/01/22/10/657012210.db2.gz ACQSDIKGVOLQCO-JTQLQIEISA-N 2 0 272.393 -0.504 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911298424 657014496 /nfs/dbraw/zinc/01/44/96/657014496.db2.gz TXIMLQJGUZWVAM-UHIISALHSA-N 2 0 282.388 -0.750 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911315506 657018568 /nfs/dbraw/zinc/01/85/68/657018568.db2.gz OBJRLRRCOUHFIJ-OZTPJHRESA-N 2 0 296.415 -0.362 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000911338123 657022667 /nfs/dbraw/zinc/02/26/67/657022667.db2.gz YEJIBDFDMGGFTG-FRRDWIJNSA-N 2 0 296.415 -0.170 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000911337800 657022692 /nfs/dbraw/zinc/02/26/92/657022692.db2.gz WVLKSEJFWXIIFY-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000911336807 657022824 /nfs/dbraw/zinc/02/28/24/657022824.db2.gz NVQJXNYLAWCCCC-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000911337802 657022946 /nfs/dbraw/zinc/02/29/46/657022946.db2.gz WVLKSEJFWXIIFY-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000911367247 657027819 /nfs/dbraw/zinc/02/78/19/657027819.db2.gz MSXRWBGKBJUICT-XQHKEYJVSA-N 2 0 294.399 -0.737 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000911367248 657027932 /nfs/dbraw/zinc/02/79/32/657027932.db2.gz MSXRWBGKBJUICT-YVECIDJPSA-N 2 0 294.399 -0.737 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000911369764 657028938 /nfs/dbraw/zinc/02/89/38/657028938.db2.gz CERQKXLQVBNTFL-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911370117 657029966 /nfs/dbraw/zinc/02/99/66/657029966.db2.gz PENAEYIJPCKGGJ-FRRDWIJNSA-N 2 0 296.415 -0.441 20 0 CBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911375562 657030888 /nfs/dbraw/zinc/03/08/88/657030888.db2.gz YPCLEGIMPJWWJF-DGCLKSJQSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000911400258 657035177 /nfs/dbraw/zinc/03/51/77/657035177.db2.gz IVCBRYZARUANFD-CHWSQXEVSA-N 2 0 298.431 -0.242 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000911401427 657035554 /nfs/dbraw/zinc/03/55/54/657035554.db2.gz ALCJPJITOCYGIW-JTQLQIEISA-N 2 0 293.371 -0.431 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000911404187 657036210 /nfs/dbraw/zinc/03/62/10/657036210.db2.gz XOFUPANZFDKWFC-UHFFFAOYSA-N 2 0 293.371 -0.558 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911493673 657055397 /nfs/dbraw/zinc/05/53/97/657055397.db2.gz KUPAZIMDRUIDDU-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP CN(C(=O)C(=O)NCC1([NH3+])CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000911501224 657056674 /nfs/dbraw/zinc/05/66/74/657056674.db2.gz AMGUZNCJFGYORP-LLVKDONJSA-N 2 0 280.372 -0.711 20 0 CBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911506092 657059276 /nfs/dbraw/zinc/05/92/76/657059276.db2.gz KONSYBZDMLLHKS-LLVKDONJSA-N 2 0 282.388 -0.558 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911506418 657060707 /nfs/dbraw/zinc/06/07/07/657060707.db2.gz NIHAMJAOWKJMCS-UHFFFAOYSA-N 2 0 282.388 -0.463 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911506620 657060909 /nfs/dbraw/zinc/06/09/09/657060909.db2.gz PXUXDEFEDKPGFM-SNVBAGLBSA-N 2 0 268.361 -0.854 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911507511 657061449 /nfs/dbraw/zinc/06/14/49/657061449.db2.gz YFUQAWJLVVNTRE-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000911530537 657068185 /nfs/dbraw/zinc/06/81/85/657068185.db2.gz ZASZIVAJBRSSHX-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001009197190 657068910 /nfs/dbraw/zinc/06/89/10/657068910.db2.gz BGMZYZFPLSDBEM-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911534075 657069535 /nfs/dbraw/zinc/06/95/35/657069535.db2.gz RQKGIRLSWWWUHA-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000911532421 657069856 /nfs/dbraw/zinc/06/98/56/657069856.db2.gz LIPHXFRYBIXDKY-UHFFFAOYSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911531987 657070407 /nfs/dbraw/zinc/07/04/07/657070407.db2.gz IFUMAPWVMICVJQ-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911542163 657073649 /nfs/dbraw/zinc/07/36/49/657073649.db2.gz LQUUQJYIJAUGOD-WUHRBBMRSA-N 2 0 294.399 -0.452 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001009535914 657077978 /nfs/dbraw/zinc/07/79/78/657077978.db2.gz HWDJOKLJRJCDAZ-GFCCVEGCSA-N 2 0 255.362 -0.345 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911561004 657078282 /nfs/dbraw/zinc/07/82/82/657078282.db2.gz TXBXCSLSRJHXIK-AVGNSLFASA-N 2 0 296.415 -0.217 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911562020 657078954 /nfs/dbraw/zinc/07/89/54/657078954.db2.gz JHGGXJHNEWRRFD-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911562598 657079281 /nfs/dbraw/zinc/07/92/81/657079281.db2.gz FDZSOXQPLPYGCN-HAQNSBGRSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC000911633996 657090513 /nfs/dbraw/zinc/09/05/13/657090513.db2.gz LEAVJQPFXLAEQT-OCCSQVGLSA-N 2 0 269.389 -0.051 20 0 CBADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]1C[NH2+]CCN1C ZINC000911667685 657100380 /nfs/dbraw/zinc/10/03/80/657100380.db2.gz QMGUGEDWISWNGF-CHWSQXEVSA-N 2 0 292.383 -0.285 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)N[C@@H]2CCC[NH2+]C2)n1 ZINC000911675011 657101471 /nfs/dbraw/zinc/10/14/71/657101471.db2.gz ZPLTVIDIBIRLNU-SNVBAGLBSA-N 2 0 251.334 -0.286 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)N[C@H]2CCC[NH2+]C2)CCOCC1 ZINC000911674849 657101586 /nfs/dbraw/zinc/10/15/86/657101586.db2.gz XXUNJCNGGJNAQV-MNOVXSKESA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)C(F)(F)C1CC[NH2+]CC1 ZINC000911693492 657103213 /nfs/dbraw/zinc/10/32/13/657103213.db2.gz KEUZFYSYHWZYSN-UHFFFAOYSA-N 2 0 290.358 -0.357 20 0 CBADRP CC[NH2+]CCCNC(=O)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000911684996 657103516 /nfs/dbraw/zinc/10/35/16/657103516.db2.gz KFMNIVKOLBHGML-LBPRGKRZSA-N 2 0 272.393 -0.408 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC000911683436 657103699 /nfs/dbraw/zinc/10/36/99/657103699.db2.gz HBWBFEOVIJGTHD-YNEHKIRRSA-N 2 0 296.415 -0.088 20 0 CBADRP CC[NH2+]CCCNC(=O)CCNC(=O)[C@H]([NH3+])C(C)C ZINC000911684995 657103738 /nfs/dbraw/zinc/10/37/38/657103738.db2.gz KFMNIVKOLBHGML-GFCCVEGCSA-N 2 0 272.393 -0.408 20 0 CBADRP CC(C)(C)[C@H]([NH3+])CC(=O)NCCN1CC[NH2+]CC1 ZINC000911694916 657104624 /nfs/dbraw/zinc/10/46/24/657104624.db2.gz GJNWLFODUKGYSG-LLVKDONJSA-N 2 0 256.394 -0.229 20 0 CBADRP CSCC[C@H]([NH3+])CC(=O)NCCN1CC[NH2+]CC1 ZINC000911693793 657105007 /nfs/dbraw/zinc/10/50/07/657105007.db2.gz NUKCCSGJVPOLOH-NSHDSACASA-N 2 0 274.434 -0.522 20 0 CBADRP [NH3+]Cc1ccccc1C(=O)NCCN1CC[NH2+]CC1 ZINC000911694899 657106123 /nfs/dbraw/zinc/10/61/23/657106123.db2.gz FXWFJJYKBQHFAK-UHFFFAOYSA-N 2 0 262.357 -0.220 20 0 CBADRP CSCC[C@H]([NH3+])CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911702576 657110144 /nfs/dbraw/zinc/11/01/44/657110144.db2.gz OIOVMUVERXCUIV-JTQLQIEISA-N 2 0 288.417 -0.995 20 0 CBADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911702713 657110419 /nfs/dbraw/zinc/11/04/19/657110419.db2.gz PCBJRUBFYPRDKU-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)NC[C@@H]2CCCC[NH2+]2)C1=O ZINC000911715451 657113011 /nfs/dbraw/zinc/11/30/11/657113011.db2.gz XGWKEMSIWIVREO-RYUDHWBXSA-N 2 0 282.388 -0.558 20 0 CBADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911713924 657113071 /nfs/dbraw/zinc/11/30/71/657113071.db2.gz MMURWWNGNRFFBO-DYEKYZERSA-N 2 0 267.373 -0.129 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)[C@H]1CCC[NH2+]C1 ZINC000911725360 657116071 /nfs/dbraw/zinc/11/60/71/657116071.db2.gz KSUGMJPRPBRNNM-AVGNSLFASA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@H](NC(=O)[C@H]1CCCN(CC[NH3+])C1=O)[C@@H]1CCC[NH2+]C1 ZINC000911725363 657116291 /nfs/dbraw/zinc/11/62/91/657116291.db2.gz KSUGMJPRPBRNNM-YNEHKIRRSA-N 2 0 296.415 -0.312 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000911729404 657117637 /nfs/dbraw/zinc/11/76/37/657117637.db2.gz FYRMVMILRMXNPC-JOYOIKCWSA-N 2 0 252.318 -0.556 20 0 CBADRP [NH3+]C1CCC(NC(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC000911726037 657117717 /nfs/dbraw/zinc/11/77/17/657117717.db2.gz RCUZVSHLYBSXGE-XIVSLSHWSA-N 2 0 255.362 -0.123 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)C1 ZINC000911731955 657119951 /nfs/dbraw/zinc/11/99/51/657119951.db2.gz ZZAHHWKQTFGXIX-XUJVJEKNSA-N 2 0 294.399 -0.701 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)NC[C@@H]2CCC[NH2+]2)C1=O ZINC000911751087 657120691 /nfs/dbraw/zinc/12/06/91/657120691.db2.gz IEFABXZTPZYEHU-WDEREUQCSA-N 2 0 268.361 -0.948 20 0 CBADRP CC[NH2+]CCNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911750364 657120829 /nfs/dbraw/zinc/12/08/29/657120829.db2.gz IDPXYWGXHCNLCW-LBPRGKRZSA-N 2 0 254.334 -0.389 20 0 CBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]C2CC2)CC1 ZINC000911755633 657122529 /nfs/dbraw/zinc/12/25/29/657122529.db2.gz SQSCBIOAFUJFMZ-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911754438 657123023 /nfs/dbraw/zinc/12/30/23/657123023.db2.gz LNJQEXHYZQBJOE-MDZLAQPJSA-N 2 0 253.346 -0.519 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCC[NH2+]C1CC1 ZINC000911753758 657123056 /nfs/dbraw/zinc/12/30/56/657123056.db2.gz GUVHBNQULOMLNI-GFCCVEGCSA-N 2 0 270.377 -0.656 20 0 CBADRP CCCN(C(=O)[C@H]1C[NH2+]CCN1C)[C@H]1CC[NH2+]C1 ZINC000911766334 657123631 /nfs/dbraw/zinc/12/36/31/657123631.db2.gz DPIPGGWNZBIQMJ-NWDGAFQWSA-N 2 0 254.378 -0.510 20 0 CBADRP CCCN(C(=O)[C@@H]1CCCN(CC[NH3+])C1=O)[C@@H]1CC[NH2+]C1 ZINC000911766480 657123992 /nfs/dbraw/zinc/12/39/92/657123992.db2.gz DZHKMHNELDHXEY-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@]1(C(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@H](O)C[NH2+]1 ZINC000911762882 657124070 /nfs/dbraw/zinc/12/40/70/657124070.db2.gz FOHZIPPBWZEEPQ-OUCADQQQSA-N 2 0 263.341 -0.085 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)NCC[C@H]2CC[NH2+]C2)n1 ZINC000911769265 657125231 /nfs/dbraw/zinc/12/52/31/657125231.db2.gz SRDFYZYOWRHJDJ-LLVKDONJSA-N 2 0 265.361 -0.039 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1[NH2+]CC12CCCC2 ZINC000911774485 657125265 /nfs/dbraw/zinc/12/52/65/657125265.db2.gz JAVDHIOMBPIFAT-ZDUSSCGKSA-N 2 0 280.416 -0.118 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)C12CCC(CC1)[NH2+]2 ZINC000911775046 657125339 /nfs/dbraw/zinc/12/53/39/657125339.db2.gz PIGKJJVJTKZTHD-UHFFFAOYSA-N 2 0 266.389 -0.365 20 0 CBADRP CSCC[C@H]([NH3+])CC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000911775741 657127472 /nfs/dbraw/zinc/12/74/72/657127472.db2.gz VFUUVFFSVZPPAR-LBPRGKRZSA-N 2 0 288.461 -0.180 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911782765 657129171 /nfs/dbraw/zinc/12/91/71/657129171.db2.gz MSIVZSZPJBGLMA-JQWIXIFHSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@](C[NH3+])(NC(=O)C[C@]1(O)CCC[NH2+]C1)C1CC1 ZINC000911800681 657132015 /nfs/dbraw/zinc/13/20/15/657132015.db2.gz VOQBBYVMQWOCIJ-CHWSQXEVSA-N 2 0 255.362 -0.265 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000911799427 657132412 /nfs/dbraw/zinc/13/24/12/657132412.db2.gz XYHHSRZMHXAZRY-WZRBSPASSA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCN2C)[C@H]1C[NH3+] ZINC000911827500 657140976 /nfs/dbraw/zinc/14/09/76/657140976.db2.gz VRUNRRFCBKUHGW-WOPDTQHZSA-N 2 0 254.378 -0.524 20 0 CBADRP C[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCN2C)[C@@H]1C[NH3+] ZINC000911827499 657141388 /nfs/dbraw/zinc/14/13/88/657141388.db2.gz VRUNRRFCBKUHGW-UTUOFQBUSA-N 2 0 254.378 -0.524 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000911829744 657141776 /nfs/dbraw/zinc/14/17/76/657141776.db2.gz UTFXTRYPVYIDKZ-XFMPKHEZSA-N 2 0 281.400 -0.148 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000911829738 657142211 /nfs/dbraw/zinc/14/22/11/657142211.db2.gz UTFXTRYPVYIDKZ-JLNYLFASSA-N 2 0 281.400 -0.148 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC000911844764 657144883 /nfs/dbraw/zinc/14/48/83/657144883.db2.gz BHKJRRYMYJYUCD-SNVBAGLBSA-N 2 0 266.345 -0.165 20 0 CBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911838101 657145276 /nfs/dbraw/zinc/14/52/76/657145276.db2.gz YZQNYEDWDSCHQV-CHWSQXEVSA-N 2 0 257.378 -0.019 20 0 CBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC000911871047 657150028 /nfs/dbraw/zinc/15/00/28/657150028.db2.gz QWXFHUFUIVAKKN-DMDPSCGWSA-N 2 0 257.378 -0.069 20 0 CBADRP CN(C(=O)[C@H]1CCCN(CC[NH3+])C1=O)C1CCC([NH3+])CC1 ZINC000911864988 657150309 /nfs/dbraw/zinc/15/03/09/657150309.db2.gz NXGSJBJKSROVPA-WXRRBKDZSA-N 2 0 296.415 -0.088 20 0 CBADRP CN(C(=O)[C@@H]1CCCN(CC[NH3+])C1=O)C1CCC([NH3+])CC1 ZINC000911864987 657150612 /nfs/dbraw/zinc/15/06/12/657150612.db2.gz NXGSJBJKSROVPA-BPCQOVAHSA-N 2 0 296.415 -0.088 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC000911866705 657150742 /nfs/dbraw/zinc/15/07/42/657150742.db2.gz BQFHDAUQDJMYON-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911879025 657153626 /nfs/dbraw/zinc/15/36/26/657153626.db2.gz KIEWCFSUFUFMJP-CHWSQXEVSA-N 2 0 268.405 -0.040 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@]2(O)CCC[NH2+]C2)CCO1 ZINC000911879069 657153893 /nfs/dbraw/zinc/15/38/93/657153893.db2.gz CGYIQYBRMKVFKD-DMDPSCGWSA-N 2 0 271.361 -0.934 20 0 CBADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000911879323 657154660 /nfs/dbraw/zinc/15/46/60/657154660.db2.gz MJLJTCWGACBJLI-NEPJUHHUSA-N 2 0 256.394 -0.149 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCO1 ZINC000911881271 657155012 /nfs/dbraw/zinc/15/50/12/657155012.db2.gz FGRDESAQPCSCLT-HGCLJGPKSA-N 2 0 253.346 -0.299 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000911885355 657158145 /nfs/dbraw/zinc/15/81/45/657158145.db2.gz VQMBLMLXCLLCLU-DDHJBXDOSA-N 2 0 255.362 -0.051 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCO)C1 ZINC001010383338 657170271 /nfs/dbraw/zinc/17/02/71/657170271.db2.gz UUUVNYMQOCRMBZ-NWDGAFQWSA-N 2 0 255.362 -0.347 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N(CCO)C2CC[NH+](C)CC2)C1 ZINC000911939267 657171468 /nfs/dbraw/zinc/17/14/68/657171468.db2.gz TVHSRDWKFYJRKU-GFCCVEGCSA-N 2 0 269.389 -0.147 20 0 CBADRP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000912053684 657187805 /nfs/dbraw/zinc/18/78/05/657187805.db2.gz CYJCADLGFDJISZ-GZBFAFLISA-N 2 0 297.399 -0.889 20 0 CBADRP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)CCO)[NH+](C)C ZINC000912606676 657296189 /nfs/dbraw/zinc/29/61/89/657296189.db2.gz JXTCEAYWJSABIN-GFCCVEGCSA-N 2 0 259.394 -0.045 20 0 CBADRP CN(CC1C[NH+](C)C1)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000912452835 657266192 /nfs/dbraw/zinc/26/61/92/657266192.db2.gz AZTKSSUHPPFRFU-WCQYABFASA-N 2 0 255.362 -0.539 20 0 CBADRP CN(CC1C[NH+](C)C1)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000912452833 657266913 /nfs/dbraw/zinc/26/69/13/657266913.db2.gz AZTKSSUHPPFRFU-AAEUAGOBSA-N 2 0 255.362 -0.539 20 0 CBADRP CC[N@H+](CC(=O)N(C)CC[NH+](C)CCO)C1CC1 ZINC000912606505 657296361 /nfs/dbraw/zinc/29/63/61/657296361.db2.gz DZZSRCIUGFZQQE-UHFFFAOYSA-N 2 0 257.378 -0.147 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001014460751 657361038 /nfs/dbraw/zinc/36/10/38/657361038.db2.gz YUOPHQHFXIMYFM-CHWSQXEVSA-N 2 0 267.373 -0.489 20 0 CBADRP O=C(N[C@H]1CC[N@@H+](CCO)C1)C12CCC[NH+]1CCC2 ZINC001015091029 657405902 /nfs/dbraw/zinc/40/59/02/657405902.db2.gz SWDQYKOUNDFQAQ-LBPRGKRZSA-N 2 0 267.373 -0.202 20 0 CBADRP CN1C[C@@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000913334580 657441755 /nfs/dbraw/zinc/44/17/55/657441755.db2.gz NXOHCGYJHBWGDO-GMXVVIOVSA-N 2 0 255.362 -0.348 20 0 CBADRP CN(C[C@@H]1CN(C)CCO1)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000913508029 657481636 /nfs/dbraw/zinc/48/16/36/657481636.db2.gz UJHLMARZVHSLNC-SGMGOOAPSA-N 2 0 285.388 -0.770 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015654537 657505591 /nfs/dbraw/zinc/50/55/91/657505591.db2.gz YVQJSLWBCCWULP-YPMHNXCESA-N 2 0 269.389 -0.101 20 0 CBADRP O=C(NC12CC[NH+](CC1)C2)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000913635890 657572410 /nfs/dbraw/zinc/57/24/10/657572410.db2.gz RSVJFFLPDILUPW-RYUDHWBXSA-N 2 0 265.357 -0.186 20 0 CBADRP C[NH+](C)CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000913676026 657580578 /nfs/dbraw/zinc/58/05/78/657580578.db2.gz KIZCCBPDGGTXJA-GFCCVEGCSA-N 2 0 269.389 -0.004 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](CCO)C2)C1 ZINC001015997668 657626060 /nfs/dbraw/zinc/62/60/60/657626060.db2.gz FRXVQVASELTKPX-NWDGAFQWSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016004498 657631146 /nfs/dbraw/zinc/63/11/46/657631146.db2.gz XYOLBWXPZXXQMH-VXGBXAGGSA-N 2 0 267.373 -0.347 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCCO)C2)C1 ZINC001016248618 657669484 /nfs/dbraw/zinc/66/94/84/657669484.db2.gz CFCGTRKGSIRNQJ-NEPJUHHUSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001018264774 657798825 /nfs/dbraw/zinc/79/88/25/657798825.db2.gz AMQKVEWFMDKJSY-RFQIPJPRSA-N 2 0 281.400 -0.006 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001018962425 657855219 /nfs/dbraw/zinc/85/52/19/657855219.db2.gz BTHRSYOHZHITQW-QWRGUYRKSA-N 2 0 282.388 -0.465 20 0 CBADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001019000685 657857888 /nfs/dbraw/zinc/85/78/88/657857888.db2.gz JCGOVZLUFYSQCT-XQQFMLRXSA-N 2 0 296.415 -0.348 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019039133 657859808 /nfs/dbraw/zinc/85/98/08/657859808.db2.gz SQSVQLBQVGMSBA-ZDUSSCGKSA-N 2 0 299.415 -0.472 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019044803 657859902 /nfs/dbraw/zinc/85/99/02/657859902.db2.gz ZDMSREYFUUCWSS-QWRGUYRKSA-N 2 0 268.361 -0.854 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)C(N)=O ZINC001019088164 657862033 /nfs/dbraw/zinc/86/20/33/657862033.db2.gz LXVNPAAYCFEPLO-NEPJUHHUSA-N 2 0 294.399 -0.321 20 0 CBADRP NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001019189681 657869792 /nfs/dbraw/zinc/86/97/92/657869792.db2.gz YERQOJJCHWMYSG-JSGCOSHPSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH2+]CCO)C2)CC[N@@H+]1C ZINC001019288755 657880015 /nfs/dbraw/zinc/88/00/15/657880015.db2.gz BUYCFDMHMCWANF-AVGNSLFASA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001019322834 657885789 /nfs/dbraw/zinc/88/57/89/657885789.db2.gz JZIORMAFSYBEAL-QWHCGFSZSA-N 2 0 294.399 -0.593 20 0 CBADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001019343081 657885844 /nfs/dbraw/zinc/88/58/44/657885844.db2.gz XBDVFRLONCOPFP-CMPLNLGQSA-N 2 0 270.377 -0.752 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001019325071 657885906 /nfs/dbraw/zinc/88/59/06/657885906.db2.gz ISECFXUIYHYAEU-PWSUYJOCSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1)C(N)=O ZINC001019386169 657891255 /nfs/dbraw/zinc/89/12/55/657891255.db2.gz GLDUHHDBPRNEJY-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@H](C)O)C1)[NH+](C)C ZINC001019395014 657892778 /nfs/dbraw/zinc/89/27/78/657892778.db2.gz WNZGOMIFFLKNMF-SRVKXCTJSA-N 2 0 257.378 -0.102 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001019659670 657926670 /nfs/dbraw/zinc/92/66/70/657926670.db2.gz HQNCMHWALFYHFK-MNOVXSKESA-N 2 0 280.372 -0.854 20 0 CBADRP CN1CC[C@H]([NH2+][C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001019774969 657937786 /nfs/dbraw/zinc/93/77/86/657937786.db2.gz PPQUMLCZJOTTDX-STQMWFEESA-N 2 0 294.399 -0.497 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019820294 657948520 /nfs/dbraw/zinc/94/85/20/657948520.db2.gz DSSSJUXUEHRUHE-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001020026109 657987278 /nfs/dbraw/zinc/98/72/78/657987278.db2.gz HMPQZVSCATUYRI-BJDJZHNGSA-N 2 0 280.372 -0.794 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001020029224 657989687 /nfs/dbraw/zinc/98/96/87/657989687.db2.gz YIASNRMYFQTLLX-KKOKHZNYSA-N 2 0 255.362 -0.302 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001020029222 657991951 /nfs/dbraw/zinc/99/19/51/657991951.db2.gz YIASNRMYFQTLLX-DDHJBXDOSA-N 2 0 255.362 -0.302 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001020150987 658018810 /nfs/dbraw/zinc/01/88/10/658018810.db2.gz GSIYGAMVCAMHEP-LPWJVIDDSA-N 2 0 294.399 -0.417 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)C(N)=O)C2)CC[N@@H+]1C ZINC001020174480 658022392 /nfs/dbraw/zinc/02/23/92/658022392.db2.gz CHFQVVCOSIWJCY-PJSNJIKXSA-N 2 0 296.415 -0.173 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(N)=O ZINC001020172140 658022678 /nfs/dbraw/zinc/02/26/78/658022678.db2.gz NXYKGGLUUJVEER-VEGXAWMVSA-N 2 0 296.415 -0.173 20 0 CBADRP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001020178873 658025150 /nfs/dbraw/zinc/02/51/50/658025150.db2.gz HQMVDZHXBSNZFF-LPWJVIDDSA-N 2 0 283.372 -0.921 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020214139 658026941 /nfs/dbraw/zinc/02/69/41/658026941.db2.gz JTWZBLWVSHGZBT-IJLUTSLNSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001020297243 658034495 /nfs/dbraw/zinc/03/44/95/658034495.db2.gz DIVPEINEQVVBNN-DDHJBXDOSA-N 2 0 282.388 -0.419 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001020297245 658035381 /nfs/dbraw/zinc/03/53/81/658035381.db2.gz DIVPEINEQVVBNN-KKOKHZNYSA-N 2 0 282.388 -0.419 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001020288431 658035682 /nfs/dbraw/zinc/03/56/82/658035682.db2.gz ANVGSNPIDCSWSI-LPWJVIDDSA-N 2 0 294.399 -0.275 20 0 CBADRP C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC001020508893 658061812 /nfs/dbraw/zinc/06/18/12/658061812.db2.gz FZCKOORZZIMCKC-PPCPHDFISA-N 2 0 296.415 -0.173 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020591303 658076291 /nfs/dbraw/zinc/07/62/91/658076291.db2.gz KGAPJKMELSVMTL-XYPYZODXSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)cn1 ZINC001020721123 658084377 /nfs/dbraw/zinc/08/43/77/658084377.db2.gz LUSORISXIKEKJQ-JOCQHMNTSA-N 2 0 295.387 -0.713 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001020928339 658118033 /nfs/dbraw/zinc/11/80/33/658118033.db2.gz CMZLSADQFOBLER-LPWJVIDDSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001020933582 658118774 /nfs/dbraw/zinc/11/87/74/658118774.db2.gz JVHMGBWKDJEMIR-IJLUTSLNSA-N 2 0 267.373 -0.300 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001020928337 658118945 /nfs/dbraw/zinc/11/89/45/658118945.db2.gz CMZLSADQFOBLER-CYDGBPFRSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001020929277 658119338 /nfs/dbraw/zinc/11/93/38/658119338.db2.gz VYCJSWIYMWPGRM-RNJOBUHISA-N 2 0 269.389 -0.054 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001021044766 658137520 /nfs/dbraw/zinc/13/75/20/658137520.db2.gz SZASUUBNTYJYKE-BJDJZHNGSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001021043565 658137957 /nfs/dbraw/zinc/13/79/57/658137957.db2.gz CGLUCNZFXSIBJV-LMLFDSFASA-N 2 0 268.361 -0.951 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001021096432 658151750 /nfs/dbraw/zinc/15/17/50/658151750.db2.gz SUAAEHKRKUYAQA-SRVKXCTJSA-N 2 0 282.388 -0.417 20 0 CBADRP CSC[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000923282214 658188756 /nfs/dbraw/zinc/18/87/56/658188756.db2.gz STXVNWBAUYAFMP-QWRGUYRKSA-N 2 0 275.418 -0.503 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923279860 658189834 /nfs/dbraw/zinc/18/98/34/658189834.db2.gz CKVXPPFFOCGNNK-QWHCGFSZSA-N 2 0 295.387 -0.969 20 0 CBADRP CSC[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000923282212 658191729 /nfs/dbraw/zinc/19/17/29/658191729.db2.gz STXVNWBAUYAFMP-GHMZBOCLSA-N 2 0 275.418 -0.503 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923298487 658200322 /nfs/dbraw/zinc/20/03/22/658200322.db2.gz TWIFASVSHVPAMH-QJPTWQEYSA-N 2 0 255.362 -0.587 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN[C@@](C)(C[NH3+])C(C)C ZINC000923298849 658200477 /nfs/dbraw/zinc/20/04/77/658200477.db2.gz GGJWKRYPOPFYHJ-OLZOCXBDSA-N 2 0 261.410 -0.112 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@@H](Cn3cncn3)C2)C1 ZINC000923321318 658207665 /nfs/dbraw/zinc/20/76/65/658207665.db2.gz FESUFZBDQAHSOI-VOAKCMCISA-N 2 0 265.361 -0.159 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C[C@@H](O)C[N@H+](C)CCOC ZINC000923330407 658215938 /nfs/dbraw/zinc/21/59/38/658215938.db2.gz DWBVVLJGTHLBMR-KBPBESRZSA-N 2 0 273.421 -0.001 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]12 ZINC000923333113 658216994 /nfs/dbraw/zinc/21/69/94/658216994.db2.gz OUBZTHVFRJNKEI-FVCCEPFGSA-N 2 0 250.346 -0.087 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@@H]12 ZINC000923333110 658218741 /nfs/dbraw/zinc/21/87/41/658218741.db2.gz OUBZTHVFRJNKEI-FDYHWXHSSA-N 2 0 250.346 -0.087 20 0 CBADRP CN(C)C(=O)[C@H](NC(C[NH3+])C[NH3+])c1ccccc1 ZINC000923350556 658221693 /nfs/dbraw/zinc/22/16/93/658221693.db2.gz BYCSNCSSNGRILN-GFCCVEGCSA-N 2 0 250.346 -0.309 20 0 CBADRP C[C@H](NC(C[NH3+])C[NH3+])C(=O)NCCc1ccc(F)cc1 ZINC000923350536 658223287 /nfs/dbraw/zinc/22/32/87/658223287.db2.gz BLNOVYVIHXHPLK-JTQLQIEISA-N 2 0 282.363 -0.252 20 0 CBADRP O[C@@H](COC[C@@H]1CCCO1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000923349279 658223337 /nfs/dbraw/zinc/22/33/37/658223337.db2.gz UPQCRRPCPRZPKQ-RQJABVFESA-N 2 0 270.373 -0.306 20 0 CBADRP C[C@@H]1CCC[C@H](NC(=O)CNC(C[NH3+])C[NH3+])[C@H]1C ZINC000923353672 658227068 /nfs/dbraw/zinc/22/70/68/658227068.db2.gz ZVSGDCCQUMQWIZ-SCVCMEIPSA-N 2 0 256.394 -0.197 20 0 CBADRP Cc1cccc(OC[C@@H](O)CNC(C[NH3+])C[NH3+])c1 ZINC000923356616 658230202 /nfs/dbraw/zinc/23/02/02/658230202.db2.gz NWWGSNLSOXGKQP-LBPRGKRZSA-N 2 0 253.346 -0.390 20 0 CBADRP CCOCC[C@H](O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923367634 658234855 /nfs/dbraw/zinc/23/48/55/658234855.db2.gz VUPYBLJLIJMZHC-KBPBESRZSA-N 2 0 271.405 -0.247 20 0 CBADRP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923366869 658236437 /nfs/dbraw/zinc/23/64/37/658236437.db2.gz PNTLBARECPOOHL-GJZGRUSLSA-N 2 0 285.432 -0.001 20 0 CBADRP COCCOC[C@H](O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000923370733 658241607 /nfs/dbraw/zinc/24/16/07/658241607.db2.gz QRRSXARRVXZQQJ-NEPJUHHUSA-N 2 0 260.378 -0.012 20 0 CBADRP CN(C)C(=O)[C@H]1CN(CCC[NH2+]C2CC2)CC[NH2+]1 ZINC000923369933 658243556 /nfs/dbraw/zinc/24/35/56/658243556.db2.gz AEYPRYZFFLABDP-GFCCVEGCSA-N 2 0 254.378 -0.510 20 0 CBADRP OCC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000923399985 658254332 /nfs/dbraw/zinc/25/43/32/658254332.db2.gz VMYQMJZIVAJNLV-GFCCVEGCSA-N 2 0 279.388 -0.009 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC2CC1(C[NH3+])C2 ZINC000923392320 658255936 /nfs/dbraw/zinc/25/59/36/658255936.db2.gz VJYGOSMAZHYBAR-CPCZMJQVSA-N 2 0 257.378 -0.651 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923400838 658260438 /nfs/dbraw/zinc/26/04/38/658260438.db2.gz FSTIRUVTSPJUHM-RYUDHWBXSA-N 2 0 267.373 -0.083 20 0 CBADRP OCC[NH2+][C@@H]1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923409502 658263787 /nfs/dbraw/zinc/26/37/87/658263787.db2.gz RYQWRWKEMPOWRD-CHWSQXEVSA-N 2 0 269.389 -0.589 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000923406668 658266075 /nfs/dbraw/zinc/26/60/75/658266075.db2.gz ZKCYWVVNCGLFKH-RYUDHWBXSA-N 2 0 297.403 -0.671 20 0 CBADRP CCOC[C@@H](O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413166 658270321 /nfs/dbraw/zinc/27/03/21/658270321.db2.gz DVOSFYXTXAXWDU-XQHKEYJVSA-N 2 0 299.371 -0.749 20 0 CBADRP CC[C@H](O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923415015 658270794 /nfs/dbraw/zinc/27/07/94/658270794.db2.gz PIZFZGPIIGDQNV-YFKTTZPYSA-N 2 0 269.345 -0.376 20 0 CBADRP COC[C@H](O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000923427956 658273159 /nfs/dbraw/zinc/27/31/59/658273159.db2.gz FSLNSRARIOQXNJ-WGBDABJCSA-N 2 0 272.345 -0.794 20 0 CBADRP O=C1NCC[C@@H]2CCC[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)[C@@H]12 ZINC000923426211 658275019 /nfs/dbraw/zinc/27/50/19/658275019.db2.gz LSJCVHPCCNSARE-RWMBFGLXSA-N 2 0 279.384 -0.035 20 0 CBADRP COC[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000923431353 658276463 /nfs/dbraw/zinc/27/64/63/658276463.db2.gz POEMEJUUKJQJOA-ZNMIVQPWSA-N 2 0 283.416 -0.106 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1CCC(=O)N1CC[NH2+]CC1 ZINC000923436951 658279395 /nfs/dbraw/zinc/27/93/95/658279395.db2.gz QWFFSYWYFWKUCC-FRRDWIJNSA-N 2 0 268.405 -0.121 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923462320 658289786 /nfs/dbraw/zinc/28/97/86/658289786.db2.gz IOLNUNUIWAAELA-HOTGVXAUSA-N 3 0 292.427 -0.588 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923472901 658298264 /nfs/dbraw/zinc/29/82/64/658298264.db2.gz JUGGVSUHAUTITM-WCQYABFASA-N 2 0 255.362 -0.850 20 0 CBADRP CN1CC(=O)N(CC[N@@H+]2CC[C@H](CC[NH3+])C2)C1=O ZINC000923479651 658302798 /nfs/dbraw/zinc/30/27/98/658302798.db2.gz RKPAXHOZAFTIDY-JTQLQIEISA-N 2 0 254.334 -0.449 20 0 CBADRP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495561 658307133 /nfs/dbraw/zinc/30/71/33/658307133.db2.gz CHXIGJRBVJXYLO-MNOVXSKESA-N 2 0 263.407 -0.158 20 0 CBADRP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495562 658306490 /nfs/dbraw/zinc/30/64/90/658306490.db2.gz CHXIGJRBVJXYLO-QWRGUYRKSA-N 2 0 263.407 -0.158 20 0 CBADRP C[C@H]1C[N@H+](CCN2C(=O)CN(C)C2=O)CC[C@H]1C[NH3+] ZINC000923494605 658306619 /nfs/dbraw/zinc/30/66/19/658306619.db2.gz ZASSGMXTZAJSHV-QWRGUYRKSA-N 2 0 268.361 -0.203 20 0 CBADRP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923491492 658306843 /nfs/dbraw/zinc/30/68/43/658306843.db2.gz IERXAUYEFCFYLF-MCIONIFRSA-N 2 0 273.421 -0.158 20 0 CBADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000923491342 658307546 /nfs/dbraw/zinc/30/75/46/658307546.db2.gz IHPGEFWGYFFJCL-CYBMUJFWSA-N 2 0 296.415 -0.214 20 0 CBADRP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1)C(=O)N(C)C ZINC000923493635 658307675 /nfs/dbraw/zinc/30/76/75/658307675.db2.gz UJDNWMDKFLTBCP-MNOVXSKESA-N 2 0 270.377 -0.750 20 0 CBADRP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498682 658308008 /nfs/dbraw/zinc/30/80/08/658308008.db2.gz JBJUPRDMGFCQOL-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923503963 658309254 /nfs/dbraw/zinc/30/92/54/658309254.db2.gz MYENMLZMRLGOGK-NXEZZACHSA-N 2 0 256.350 -0.251 20 0 CBADRP C[C@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)CC[C@H]1C[NH3+] ZINC000923502566 658310100 /nfs/dbraw/zinc/31/01/00/658310100.db2.gz BVZDGFFXRICLHJ-UWVGGRQHSA-N 2 0 268.361 -0.109 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923502933 658310973 /nfs/dbraw/zinc/31/09/73/658310973.db2.gz FCULKTXZZHEACX-UTLUCORTSA-N 2 0 256.350 -0.253 20 0 CBADRP [NH3+]CC1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923562363 658326167 /nfs/dbraw/zinc/32/61/67/658326167.db2.gz IDJYEEJRSSNHKB-LLVKDONJSA-N 2 0 261.391 -0.261 20 0 CBADRP [NH3+]C[C@H](NS(=O)(=O)N1CC[NH2+]CC1)C1CCCCC1 ZINC000923569548 658331887 /nfs/dbraw/zinc/33/18/87/658331887.db2.gz OUWOVWWIKZRASP-LBPRGKRZSA-N 2 0 290.433 -0.366 20 0 CBADRP C[C@@H]([NH3+])C1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923569810 658332616 /nfs/dbraw/zinc/33/26/16/658332616.db2.gz GEUOORYFZGJZPF-SNVBAGLBSA-N 2 0 276.406 -0.804 20 0 CBADRP CCCC[C@@H](C[NH3+])NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923577718 658337272 /nfs/dbraw/zinc/33/72/72/658337272.db2.gz UDXWINDLTWCPGM-JTQLQIEISA-N 2 0 264.395 -0.757 20 0 CBADRP CCCC[N@H+](C)CCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923609446 658348504 /nfs/dbraw/zinc/34/85/04/658348504.db2.gz ALJRGFFJLXLLRR-UHFFFAOYSA-N 2 0 278.422 -0.542 20 0 CBADRP CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)C1C[NH2+]C1 ZINC000923610187 658348662 /nfs/dbraw/zinc/34/86/62/658348662.db2.gz NBAFLMPZPJORAC-JTQLQIEISA-N 2 0 259.375 -0.544 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)C1C[NH2+]C1 ZINC000923608545 658349356 /nfs/dbraw/zinc/34/93/56/658349356.db2.gz UDXPPLOZAJRTDM-SNVBAGLBSA-N 2 0 261.391 -0.248 20 0 CBADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NS(=O)(=O)C1C[NH2+]C1 ZINC000923633110 658366360 /nfs/dbraw/zinc/36/63/60/658366360.db2.gz DAXMJLHQCADIQP-GJYTXDDASA-N 2 0 273.402 -0.216 20 0 CBADRP C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923634866 658367348 /nfs/dbraw/zinc/36/73/48/658367348.db2.gz GUXAQNVXIIAYOD-RYUDHWBXSA-N 2 0 290.433 -0.366 20 0 CBADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923648023 658373644 /nfs/dbraw/zinc/37/36/44/658373644.db2.gz FFJSJIBIFVUATG-NEPJUHHUSA-N 2 0 273.402 -0.104 20 0 CBADRP C[C@@H]1C[C@@H](C)N(S(=O)(=O)N2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000923649221 658376372 /nfs/dbraw/zinc/37/63/72/658376372.db2.gz NHRKLUIXQDGENU-UTUOFQBUSA-N 2 0 290.433 -0.558 20 0 CBADRP O=S(=O)(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCC[NH2+]C1 ZINC000923659701 658385716 /nfs/dbraw/zinc/38/57/16/658385716.db2.gz LHZVKFOLSLMCGM-WDEREUQCSA-N 2 0 273.402 -0.058 20 0 CBADRP CC(C)[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CCN1C ZINC000923665880 658389285 /nfs/dbraw/zinc/38/92/85/658389285.db2.gz HUBHEWBUKWKXEB-GFCCVEGCSA-N 2 0 290.433 -0.592 20 0 CBADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000923670578 658391816 /nfs/dbraw/zinc/39/18/16/658391816.db2.gz AMBORKOKKZXKQD-WOPDTQHZSA-N 2 0 273.402 -0.106 20 0 CBADRP O=S(=O)(NC[C@H]1Cc2ccccc2C[NH2+]1)C1C[NH2+]C1 ZINC000923669860 658393059 /nfs/dbraw/zinc/39/30/59/658393059.db2.gz FCZRXBJHBVZQFG-GFCCVEGCSA-N 2 0 281.381 -0.408 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[C@H]1C[NH3+] ZINC000923704552 658404870 /nfs/dbraw/zinc/40/48/70/658404870.db2.gz VZXIJOLXGZZAAQ-WOPDTQHZSA-N 2 0 291.417 -0.779 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@H](CC[NH3+])C1 ZINC000923699003 658404992 /nfs/dbraw/zinc/40/49/92/658404992.db2.gz JHZJIPKVGKGMIS-NSHDSACASA-N 2 0 263.407 -0.061 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[C@H]1C[NH3+] ZINC000923704547 658406618 /nfs/dbraw/zinc/40/66/18/658406618.db2.gz VZXIJOLXGZZAAQ-GRYCIOLGSA-N 2 0 291.417 -0.779 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000923697993 658407469 /nfs/dbraw/zinc/40/74/69/658407469.db2.gz BFTXEEYEVOYGBW-IJLUTSLNSA-N 2 0 275.418 -0.015 20 0 CBADRP C[NH+](C)C[C@H]1NC(=O)N([C@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000924886765 658652954 /nfs/dbraw/zinc/65/29/54/658652954.db2.gz PCFNAIGFERYPAU-WDEREUQCSA-N 2 0 266.345 -0.295 20 0 CBADRP O=C(NC[C@H]1CN(CCF)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958592464 658669984 /nfs/dbraw/zinc/66/99/84/658669984.db2.gz QBBUSIMDUHYIEI-RYUDHWBXSA-N 2 0 285.363 -0.539 20 0 CBADRP C[C@H](C[NH2+][C@H]1C(=O)NCC1(C)C)N1CC[NH+](C)CC1 ZINC000924962602 658671606 /nfs/dbraw/zinc/67/16/06/658671606.db2.gz UDRXWQYWIHNQFS-NEPJUHHUSA-N 2 0 268.405 -0.264 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000924975174 658677786 /nfs/dbraw/zinc/67/77/86/658677786.db2.gz RJZKYMUUAYRSQR-QWRGUYRKSA-N 2 0 253.346 -0.737 20 0 CBADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2C)cn1 ZINC000924981394 658688304 /nfs/dbraw/zinc/68/83/04/658688304.db2.gz NCZJAKMQTDNLQB-KGLIPLIRSA-N 2 0 292.383 -0.062 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)C12CCC[NH+](CCC1)C2 ZINC000960531302 658805121 /nfs/dbraw/zinc/80/51/21/658805121.db2.gz ZBKKPPDLCGNFBZ-WDNDVIMCSA-N 2 0 293.411 -0.099 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)CC[N@@H+]1C ZINC000925332155 658827549 /nfs/dbraw/zinc/82/75/49/658827549.db2.gz NJTJCBQGLZOGKU-NTZNESFSSA-N 2 0 270.377 -0.555 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000961666987 658830434 /nfs/dbraw/zinc/83/04/34/658830434.db2.gz YNFHLQHAZSJUOQ-ZZVYKPCYSA-N 2 0 281.400 -0.245 20 0 CBADRP C[C@@H]1[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000925346770 658832755 /nfs/dbraw/zinc/83/27/55/658832755.db2.gz VTQBGVDFIAZQQN-IJLUTSLNSA-N 2 0 270.377 -0.555 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C)CCO1 ZINC000925405353 658837747 /nfs/dbraw/zinc/83/77/47/658837747.db2.gz FWGVVLRSUXKEJJ-NWDGAFQWSA-N 2 0 270.377 -0.338 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925409489 658839217 /nfs/dbraw/zinc/83/92/17/658839217.db2.gz VYADXFBSAKEWPV-GFCCVEGCSA-N 2 0 272.393 -0.090 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000925408048 658840285 /nfs/dbraw/zinc/84/02/85/658840285.db2.gz NXXDHTFCCVREIX-HZSPNIEDSA-N 2 0 296.415 -0.069 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962294827 658850492 /nfs/dbraw/zinc/85/04/92/658850492.db2.gz DYADVNLAXLTJJW-WUHRBBMRSA-N 2 0 279.384 -0.491 20 0 CBADRP C[C@H](CN[C@H]1C[NH2+]CCOC1)C[NH+]1CCN(C)CC1 ZINC000925491722 658857192 /nfs/dbraw/zinc/85/71/92/658857192.db2.gz QYRGKGGBEXRYRX-KGLIPLIRSA-N 2 0 270.421 -0.552 20 0 CBADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CNCCOC2)CC1 ZINC000925546517 658858508 /nfs/dbraw/zinc/85/85/08/658858508.db2.gz ODPVLGHVXQJPQS-CQSZACIVSA-N 2 0 270.421 -0.408 20 0 CBADRP O[C@H](CN[C@H]1C[NH2+]CCOC1)C[NH+]1CCCCC1 ZINC000925613504 658862183 /nfs/dbraw/zinc/86/21/83/658862183.db2.gz RVDJWMQVKZEYFF-QWHCGFSZSA-N 2 0 257.378 -0.589 20 0 CBADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CNCCOC2)CC1 ZINC000925605907 658862487 /nfs/dbraw/zinc/86/24/87/658862487.db2.gz JGFJUWGDGISGIL-AWEZNQCLSA-N 2 0 270.421 -0.410 20 0 CBADRP C[C@H](CC[NH+]1CCN(C)CC1)N[C@@H]1C[NH2+]CCOC1 ZINC000925641204 658863750 /nfs/dbraw/zinc/86/37/50/658863750.db2.gz LGTYUKRGEKLWEP-ZIAGYGMSSA-N 2 0 270.421 -0.410 20 0 CBADRP [NH3+][C@H]1C[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)C12CCC2 ZINC000925632927 658863833 /nfs/dbraw/zinc/86/38/33/658863833.db2.gz SJWBBJQILFQYET-QWRGUYRKSA-N 2 0 263.345 -0.001 20 0 CBADRP c1cc(N[C@H]2C[NH2+]CCOC2)ncc1N1CC[NH2+]CC1 ZINC000925694694 658865652 /nfs/dbraw/zinc/86/56/52/658865652.db2.gz RXQBXFUZUCHCLE-LBPRGKRZSA-N 2 0 277.372 -0.109 20 0 CBADRP CC1(C)C[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C[C@@H]([NH3+])C1 ZINC000925694523 658865999 /nfs/dbraw/zinc/86/59/99/658865999.db2.gz UWNSWRLRFCDYGJ-NEPJUHHUSA-N 3 0 268.405 -0.086 20 0 CBADRP FC(F)(F)[C@@H](CN[C@@H]1C[NH2+]CCOC1)N1CC[NH2+]CC1 ZINC000925699593 658866133 /nfs/dbraw/zinc/86/61/33/658866133.db2.gz KZFXAFOMQUQOGP-GHMZBOCLSA-N 2 0 296.337 -0.600 20 0 CBADRP CC1(C)[C@H](NCC(=O)N2CC[NH2+]CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925690698 658866148 /nfs/dbraw/zinc/86/61/48/658866148.db2.gz KUKMJTXBENRQJC-KWCYVHTRSA-N 2 0 280.416 -0.216 20 0 CBADRP C[C@H]1[NH2+]CCC[C@@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000925715224 658867321 /nfs/dbraw/zinc/86/73/21/658867321.db2.gz AYXRANZOMUSCGA-SCZZXKLOSA-N 2 0 251.334 -0.129 20 0 CBADRP CN1CCOC[C@@H]1C[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925719656 658867672 /nfs/dbraw/zinc/86/76/72/658867672.db2.gz ULBBHYDIDPHGKR-MQLXINIDSA-N 2 0 269.389 -0.341 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)C1C[NH2+]C1 ZINC000925771418 658870501 /nfs/dbraw/zinc/87/05/01/658870501.db2.gz YBNGRWSRIPDJER-GDBMZVCRSA-N 2 0 296.459 -0.020 20 0 CBADRP COC[C@H](CCC[NH3+])[NH2+]CC1(S(=O)(=O)N(C)C)CC1 ZINC000925773249 658871089 /nfs/dbraw/zinc/87/10/89/658871089.db2.gz BCVDVJFPOSFECU-NSHDSACASA-N 2 0 293.433 -0.246 20 0 CBADRP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2[C@@H]3COC[C@H]2C[C@H]([NH3+])C3)C1 ZINC000925771680 658871191 /nfs/dbraw/zinc/87/11/91/658871191.db2.gz ZNZRELLKNFHYAJ-QVYLLIOKSA-N 2 0 288.413 -0.096 20 0 CBADRP O=C1NCCN1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000925777587 658871270 /nfs/dbraw/zinc/87/12/70/658871270.db2.gz OSGBNJVPDXYRGX-IJLUTSLNSA-N 2 0 252.362 -0.011 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)C)C[C@H]1[NH3+] ZINC000926298588 658891096 /nfs/dbraw/zinc/89/10/96/658891096.db2.gz NGXBRLCIWGACMB-GHMZBOCLSA-N 2 0 270.377 -0.798 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000926326678 658892708 /nfs/dbraw/zinc/89/27/08/658892708.db2.gz SPDQKTBMSOQHGZ-OLZOCXBDSA-N 2 0 296.415 -0.264 20 0 CBADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000926329916 658892954 /nfs/dbraw/zinc/89/29/54/658892954.db2.gz HUFLZCLCSNJGQM-VXGBXAGGSA-N 2 0 282.388 -0.654 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C[C@@H]1[NH+](C)C ZINC000926345208 658895635 /nfs/dbraw/zinc/89/56/35/658895635.db2.gz RZYBACCMFHYQPL-LPWJVIDDSA-N 2 0 296.415 -0.552 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000926352873 658896001 /nfs/dbraw/zinc/89/60/01/658896001.db2.gz QEMWFRRVUFQKRK-FRRDWIJNSA-N 2 0 296.415 -0.408 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)C[C@H]1[NH3+] ZINC000926344578 658896038 /nfs/dbraw/zinc/89/60/38/658896038.db2.gz KYWYUHYIOTYPAS-XQHKEYJVSA-N 2 0 296.415 -0.409 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000926375440 658896560 /nfs/dbraw/zinc/89/65/60/658896560.db2.gz NQTOEYRKUVEIQV-FRRDWIJNSA-N 2 0 296.415 -0.219 20 0 CBADRP CCO[C@H](CNC(=O)NCC[NH+](C)C)C[NH+](C)C ZINC000926835853 658915810 /nfs/dbraw/zinc/91/58/10/658915810.db2.gz DUASIYPSHZLONJ-LLVKDONJSA-N 2 0 260.382 -0.186 20 0 CBADRP C[C@H]1CC[N@H+](CCO)C[C@H]1NC(=O)CN1CCCC1 ZINC000968652140 658938226 /nfs/dbraw/zinc/93/82/26/658938226.db2.gz PIBBTNZJPHCRGG-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC000968922345 658945493 /nfs/dbraw/zinc/94/54/93/658945493.db2.gz YKEVJMFWOZWUTC-WDEREUQCSA-N 2 0 282.388 -0.465 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000969353413 658975341 /nfs/dbraw/zinc/97/53/41/658975341.db2.gz SYPGJOITOYYMHR-LLVKDONJSA-N 2 0 287.323 -0.376 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](CCCO)C1 ZINC000969409345 658989009 /nfs/dbraw/zinc/98/90/09/658989009.db2.gz ASQIAABGUFLRDV-AAEUAGOBSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)CC[N@@H+]1C ZINC000928441910 659020899 /nfs/dbraw/zinc/02/08/99/659020899.db2.gz PXQRHDWAZWZOEQ-FRRDWIJNSA-N 2 0 266.389 -0.415 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1)C(N)=O ZINC000969964582 659027592 /nfs/dbraw/zinc/02/75/92/659027592.db2.gz GLDUHHDBPRNEJY-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)C(N)=O ZINC000970178629 659037204 /nfs/dbraw/zinc/03/72/04/659037204.db2.gz VHBVBNVCBNHJPR-DGCLKSJQSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000928555153 659038944 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C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CCO)C2)CC[N@@H+]1C ZINC000971561593 659094408 /nfs/dbraw/zinc/09/44/08/659094408.db2.gz XVTPWNREVHCNTG-FRRDWIJNSA-N 2 0 269.389 -0.148 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CCO)C2)CC[N@@H+]1C ZINC000971561594 659094461 /nfs/dbraw/zinc/09/44/61/659094461.db2.gz XVTPWNREVHCNTG-JHJVBQTASA-N 2 0 269.389 -0.148 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972734899 659127051 /nfs/dbraw/zinc/12/70/51/659127051.db2.gz HCYCXWIRAVZMIC-RYUDHWBXSA-N 2 0 294.399 -0.511 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2C[C@H](O)CO ZINC000930059408 659200879 /nfs/dbraw/zinc/20/08/79/659200879.db2.gz CLHGNRTZPAETPE-VOAKCMCISA-N 2 0 258.362 -0.477 20 0 CBADRP C[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980404864 659269532 /nfs/dbraw/zinc/26/95/32/659269532.db2.gz DNCYDZHMDZXTPD-QWHCGFSZSA-N 2 0 269.389 -0.004 20 0 CBADRP CNC(=O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000930748676 659336278 /nfs/dbraw/zinc/33/62/78/659336278.db2.gz ZCWWIHVUNMUGLN-VXGBXAGGSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000985333117 659379587 /nfs/dbraw/zinc/37/95/87/659379587.db2.gz XRQRAZPYGFDRCC-YPMHNXCESA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000985790059 659399392 /nfs/dbraw/zinc/39/93/92/659399392.db2.gz OSXDRPBEADCOFF-LBPRGKRZSA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000985794193 659401559 /nfs/dbraw/zinc/40/15/59/659401559.db2.gz ZROWHIOJNKJPAK-NEPJUHHUSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000986959313 659485626 /nfs/dbraw/zinc/48/56/26/659485626.db2.gz PBSNYPYSXSMDIV-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000987251232 659499445 /nfs/dbraw/zinc/49/94/45/659499445.db2.gz ARZILCSCNRBRPO-OLZOCXBDSA-N 2 0 296.415 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/nfs/dbraw/zinc/75/47/44/659754744.db2.gz KPBJRDZMOYSWLL-HNNXBMFYSA-N 2 0 286.464 -0.133 20 0 CBADRP OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2C[C@@H](O)C[NH+]1CCCC1 ZINC000934257053 659791408 /nfs/dbraw/zinc/79/14/08/659791408.db2.gz GAAMHZSHLJZISI-ARFHVFGLSA-N 2 0 297.443 -0.026 20 0 CBADRP C[NH+]1CC[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000991725339 659843372 /nfs/dbraw/zinc/84/33/72/659843372.db2.gz ZHNSLHGAOXATBL-NEPJUHHUSA-N 2 0 294.399 -0.783 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCO)C(C)(C)C1 ZINC000995552351 659902731 /nfs/dbraw/zinc/90/27/31/659902731.db2.gz QOHWLTSJGBTSQE-NEPJUHHUSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)Cn2ccnc2)CC[N@@H+]1CCO ZINC000948090247 659965551 /nfs/dbraw/zinc/96/55/51/659965551.db2.gz HNDBSDZIFQDBRW-RYUDHWBXSA-N 2 0 266.345 -0.156 20 0 CBADRP C[N@@H+]1CCO[C@H]2CN(c3ncc4c(n3)C[NH2+]C4)C[C@H]21 ZINC001164669298 719392879 /nfs/dbraw/zinc/39/28/79/719392879.db2.gz UQWDXODHOLNGHW-NEPJUHHUSA-N 2 0 261.329 -0.401 20 0 CBADRP C[N@@H+]1CCO[C@@H]2CN(c3cc(C4C[NH2+]C4)ncn3)C[C@@H]21 ZINC001164667088 719490097 /nfs/dbraw/zinc/49/00/97/719490097.db2.gz ISSWOHCDZNXEAV-QWHCGFSZSA-N 2 0 275.356 -0.317 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001076588004 805583481 /nfs/dbraw/zinc/58/34/81/805583481.db2.gz IGFLFHUJFIKPPS-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001147892091 814924138 /nfs/dbraw/zinc/92/41/38/814924138.db2.gz HZGNUPPDQHWEGP-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC000063527834 790341939 /nfs/dbraw/zinc/34/19/39/790341939.db2.gz DHOSVYISPRAYQU-LBPRGKRZSA-N 2 0 293.371 -0.740 20 0 CBADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCS(=O)(=O)C2)CC1 ZINC000069135415 790349748 /nfs/dbraw/zinc/34/97/48/790349748.db2.gz XGMJEWFCLFGXLE-ZDUSSCGKSA-N 2 0 289.445 -0.209 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091311240 790371662 /nfs/dbraw/zinc/37/16/62/790371662.db2.gz AHRWEYQNEFIIBO-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP COCC[NH+]1CCC(CNC(=O)[C@H]2CN(C)CCO2)CC1 ZINC000172750147 790413742 /nfs/dbraw/zinc/41/37/42/790413742.db2.gz YXLIRYMHXMFMIA-CQSZACIVSA-N 2 0 299.415 -0.208 20 0 CBADRP CC(=O)NCCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519333 790425939 /nfs/dbraw/zinc/42/59/39/790425939.db2.gz XKFKQOZHTRUPDB-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP C[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000250551614 790449373 /nfs/dbraw/zinc/44/93/73/790449373.db2.gz AHRWEYQNEFIIBO-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000250551612 790449496 /nfs/dbraw/zinc/44/94/96/790449496.db2.gz AHRWEYQNEFIIBO-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP O[C@@H](CN1CC[C@@H](N2CC[NH2+]CC2)C1)C[NH+]1CCCC1 ZINC000381001087 790515782 /nfs/dbraw/zinc/51/57/82/790515782.db2.gz LBRHXEBMBMITPP-HUUCEWRRSA-N 2 0 282.432 -0.577 20 0 CBADRP O[C@H](CN1CC[C@H](N2CC[NH2+]CC2)C1)C[NH+]1CCCC1 ZINC000381001086 790516615 /nfs/dbraw/zinc/51/66/15/790516615.db2.gz LBRHXEBMBMITPP-GJZGRUSLSA-N 2 0 282.432 -0.577 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C[C@H](O)C[N@H+](C)CCOC ZINC000381340203 790518955 /nfs/dbraw/zinc/51/89/55/790518955.db2.gz KJTSVJQOXIBTSX-QWHCGFSZSA-N 2 0 259.394 -0.391 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000381244130 790517756 /nfs/dbraw/zinc/51/77/56/790517756.db2.gz BWWXRXAWVXXHHE-UJOWSUJOSA-N 2 0 264.417 -0.182 20 0 CBADRP C[NH2+][C@H](C)c1cn(CCN2CC[NH+](C)CC2)nn1 ZINC000381162958 790518648 /nfs/dbraw/zinc/51/86/48/790518648.db2.gz ABXYHDYKDDVVOH-LLVKDONJSA-N 2 0 252.366 -0.194 20 0 CBADRP C[NH2+]C1CCN(C[C@@H](O)C[N@H+](C)CCOC)CC1 ZINC000385251258 790540663 /nfs/dbraw/zinc/54/06/63/790540663.db2.gz QYQVJUJGQGTKJA-ZDUSSCGKSA-N 2 0 259.394 -0.391 20 0 CBADRP COC(=O)[C@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000386029645 790544660 /nfs/dbraw/zinc/54/46/60/790544660.db2.gz YCCKAKXTXGRNQP-RYUDHWBXSA-N 2 0 256.346 -0.062 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000386169629 790545295 /nfs/dbraw/zinc/54/52/95/790545295.db2.gz CXEPAYXEZHTMIF-KBPBESRZSA-N 3 0 298.431 -0.770 20 0 CBADRP C[NH2+][C@@H]1CCCN(C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000386061923 790546655 /nfs/dbraw/zinc/54/66/55/790546655.db2.gz DQOBIUIXHMUMJI-CHWSQXEVSA-N 2 0 259.394 -0.391 20 0 CBADRP [NH3+][C@H](CC(F)F)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000388339985 790554939 /nfs/dbraw/zinc/55/49/39/790554939.db2.gz WRQZBCRFJZLZQM-LPEHRKFASA-N 2 0 277.315 -0.052 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000388673178 790559927 /nfs/dbraw/zinc/55/99/27/790559927.db2.gz CXMZZMLKCLEPAY-IHRRRGAJSA-N 2 0 273.421 -0.015 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H]([NH+](C)C)[C@H]1C ZINC000389242277 790560322 /nfs/dbraw/zinc/56/03/22/790560322.db2.gz BTAYFZDMKDOORN-RDBSUJKOSA-N 2 0 273.421 -0.050 20 0 CBADRP CNC(=O)CN1CCC([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000392800527 790567846 /nfs/dbraw/zinc/56/78/46/790567846.db2.gz QBUSYNYCYFURIA-LTDJIEQWSA-N 2 0 292.427 -0.217 20 0 CBADRP C[NH2+]C[C@H]1CCN(C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000394077091 790576638 /nfs/dbraw/zinc/57/66/38/790576638.db2.gz CERBTPCEUXCQPT-CHWSQXEVSA-N 2 0 259.394 -0.533 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394393515 790577196 /nfs/dbraw/zinc/57/71/96/790577196.db2.gz ZKGGVFWFIHGNCU-YPMHNXCESA-N 2 0 266.389 -0.367 20 0 CBADRP COCCN(C)C[C@H](O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000394074091 790577470 /nfs/dbraw/zinc/57/74/70/790577470.db2.gz SXAYFFIRHRNUNX-AWEZNQCLSA-N 2 0 273.421 -0.014 20 0 CBADRP CCNS(=O)(=O)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400993295 790604657 /nfs/dbraw/zinc/60/46/57/790604657.db2.gz ZZNWCDDTJNLLLS-SDDRHHMPSA-N 2 0 275.418 -0.097 20 0 CBADRP CCNS(=O)(=O)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400993291 790604958 /nfs/dbraw/zinc/60/49/58/790604958.db2.gz ZZNWCDDTJNLLLS-GRYCIOLGSA-N 2 0 275.418 -0.097 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCN2CCOC2=O)C1 ZINC000403184926 790611970 /nfs/dbraw/zinc/61/19/70/790611970.db2.gz RRVBKQIITJNSKI-NSHDSACASA-N 2 0 284.360 -0.775 20 0 CBADRP CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000405208541 790616583 /nfs/dbraw/zinc/61/65/83/790616583.db2.gz BMSIZKPPXMMROT-DCAQKATOSA-N 2 0 273.402 -0.120 20 0 CBADRP CCO[C@@H]1CN(CC(=O)N2CCO[C@H](C)C2)C[C@H]1C[NH3+] ZINC000405212687 790616707 /nfs/dbraw/zinc/61/67/07/790616707.db2.gz LYKDCKQTXYXLLA-JHJVBQTASA-N 2 0 285.388 -0.471 20 0 CBADRP C[NH+]1CCC(C(=O)N2CCC([NH2+]CCO)CC2)CC1 ZINC000686189817 790649321 /nfs/dbraw/zinc/64/93/21/790649321.db2.gz YIMONYMNNKLODA-UHFFFAOYSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CCN1CCN1CCCS1(=O)=O ZINC000695077271 790687671 /nfs/dbraw/zinc/68/76/71/790687671.db2.gz ZJFWIDVFVBTAPG-GHMZBOCLSA-N 2 0 261.391 -0.167 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000693575441 790682240 /nfs/dbraw/zinc/68/22/40/790682240.db2.gz VXHVRVIMJTWQQZ-FIQHERPVSA-N 2 0 253.346 -0.297 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCN(CCN2CCCS2(=O)=O)C1 ZINC000695077030 790687547 /nfs/dbraw/zinc/68/75/47/790687547.db2.gz MYWZTHQMUBOGHN-GHMZBOCLSA-N 2 0 261.391 -0.309 20 0 CBADRP CC1([NH3+])CCN(CCN2CCCS2(=O)=O)CC1 ZINC000695042620 790686714 /nfs/dbraw/zinc/68/67/14/790686714.db2.gz KIRFTPJGMRKDEV-UHFFFAOYSA-N 2 0 261.391 -0.165 20 0 CBADRP C[C@@H]1CCN(CCN2CCCS2(=O)=O)C[C@@H]1C[NH3+] ZINC000695129191 790687049 /nfs/dbraw/zinc/68/70/49/790687049.db2.gz GYJLQTZCOAFVPA-NEPJUHHUSA-N 2 0 275.418 -0.061 20 0 CBADRP [NH3+]CC1(O)CC[NH+](CCOC2CCOCC2)CC1 ZINC000701327707 790717265 /nfs/dbraw/zinc/71/72/65/790717265.db2.gz WWQKFYNPPBPKEH-UHFFFAOYSA-N 2 0 258.362 -0.032 20 0 CBADRP C[C@@H](C[NH3+])C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000701653180 790719403 /nfs/dbraw/zinc/71/94/03/790719403.db2.gz DQJCIUSKFKIYMB-JTQLQIEISA-N 2 0 263.407 -0.063 20 0 CBADRP C[N@H+](C[C@@H](O)CNC[C@@]1(O)CC[NH+](C)C1)C1CC1 ZINC000702561639 790721432 /nfs/dbraw/zinc/72/14/32/790721432.db2.gz JHVGNCRZEOECGV-STQMWFEESA-N 2 0 257.378 -0.902 20 0 CBADRP CC(C)COC[C@H](O)C[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000702571151 790722039 /nfs/dbraw/zinc/72/20/39/790722039.db2.gz WLMXCYYAYJWYRA-OLZOCXBDSA-N 2 0 260.378 -0.324 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)C2([NH3+])CC2)C[C@H]1C[NH+](C)C ZINC000705912312 790725924 /nfs/dbraw/zinc/72/59/24/790725924.db2.gz NFJLNWSVPMLEQO-VXGBXAGGSA-N 3 0 268.405 -0.325 20 0 CBADRP C[C@H](O)C[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000705906632 790726187 /nfs/dbraw/zinc/72/61/87/790726187.db2.gz VKGWMBAXXDTNTF-LBPRGKRZSA-N 2 0 269.389 -0.051 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CC3CC[NH2+]CC3)C[C@@H]2C1 ZINC000707004419 790728729 /nfs/dbraw/zinc/72/87/29/790728729.db2.gz ZNGOEFWVYMNLNR-BETUJISGSA-N 2 0 287.429 -0.191 20 0 CBADRP COC[C@@]1(C(=O)NCCC[NH+]2CCCC2)C[NH2+]CCO1 ZINC000710786865 790741651 /nfs/dbraw/zinc/74/16/51/790741651.db2.gz ZQFAAALAIIBQNG-CQSZACIVSA-N 2 0 285.388 -0.407 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000711246696 790744395 /nfs/dbraw/zinc/74/43/95/790744395.db2.gz AMCKYJJQLPVUTD-OLZOCXBDSA-N 2 0 280.416 -0.262 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NCCCC[NH+](C)C ZINC000719257721 790760895 /nfs/dbraw/zinc/76/08/95/790760895.db2.gz VAPYSWDCVODQMS-UHFFFAOYSA-N 2 0 253.350 -0.050 20 0 CBADRP CO[C@]1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCS(=O)(=O)C1 ZINC000721172708 790778376 /nfs/dbraw/zinc/77/83/76/790778376.db2.gz HRJHVMREELGRPL-UTUOFQBUSA-N 2 0 276.402 -0.093 20 0 CBADRP C[C@@H]1C[N@H+](CCS(=O)(=O)N(C)C)C[C@H]1CC[NH3+] ZINC000723902324 790802236 /nfs/dbraw/zinc/80/22/36/790802236.db2.gz VGSPXOYTLMWVCT-GHMZBOCLSA-N 2 0 263.407 -0.206 20 0 CBADRP COC[C@H](C)OC[C@@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723844230 790802504 /nfs/dbraw/zinc/80/25/04/790802504.db2.gz LRUFLFYXMKNFLH-XQHKEYJVSA-N 2 0 260.378 -0.075 20 0 CBADRP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723886908 790802563 /nfs/dbraw/zinc/80/25/63/790802563.db2.gz NUHIWGFFTXWHEZ-NXEZZACHSA-N 2 0 256.350 -0.251 20 0 CBADRP CO[C@@H]1CC[C@@H]1[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000724152661 790805239 /nfs/dbraw/zinc/80/52/39/790805239.db2.gz MKAQSXGLIJWZFY-NWDGAFQWSA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724599515 790806915 /nfs/dbraw/zinc/80/69/15/790806915.db2.gz LBDKWDIBKOMJFH-RWMBFGLXSA-N 2 0 258.362 -0.042 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724599509 790807365 /nfs/dbraw/zinc/80/73/65/790807365.db2.gz LBDKWDIBKOMJFH-AGIUHOORSA-N 2 0 258.362 -0.042 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000823828940 790854677 /nfs/dbraw/zinc/85/46/77/790854677.db2.gz ODHUJTMJQYVMRT-WDEREUQCSA-N 2 0 268.361 -0.284 20 0 CBADRP Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001021896451 790965641 /nfs/dbraw/zinc/96/56/41/790965641.db2.gz ZUCGNRIHGFBDDS-TUAOUCFPSA-N 2 0 292.387 -0.354 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001021897562 790967246 /nfs/dbraw/zinc/96/72/46/790967246.db2.gz MRFUCULHEOQVPX-RNJOBUHISA-N 2 0 294.399 -0.404 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001021897564 790967277 /nfs/dbraw/zinc/96/72/77/790967277.db2.gz MRFUCULHEOQVPX-YVECIDJPSA-N 2 0 294.399 -0.404 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001021906641 790968441 /nfs/dbraw/zinc/96/84/41/790968441.db2.gz UCFOSCJQYJIXHC-KXNHARMFSA-N 2 0 282.388 -0.419 20 0 CBADRP Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)[nH]1 ZINC001021904640 790969597 /nfs/dbraw/zinc/96/95/97/790969597.db2.gz BDZOFGSZWNFJPA-GRYCIOLGSA-N 2 0 292.387 -0.056 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001022089197 790989380 /nfs/dbraw/zinc/98/93/80/790989380.db2.gz GLXBMCGFIJFVFO-GRYCIOLGSA-N 2 0 280.372 -0.950 20 0 CBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001022089161 790989830 /nfs/dbraw/zinc/98/98/30/790989830.db2.gz FLTZPZQFCVCNPJ-XQQFMLRXSA-N 2 0 267.373 -0.443 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001022292693 791002498 /nfs/dbraw/zinc/00/24/98/791002498.db2.gz PQZHVYBWOURILT-XQHKEYJVSA-N 2 0 294.399 -0.404 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022293941 791002574 /nfs/dbraw/zinc/00/25/74/791002574.db2.gz XTDKVLJFNOWJNS-GRYCIOLGSA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001022596018 791029824 /nfs/dbraw/zinc/02/98/24/791029824.db2.gz FQLXBXARMRKDLK-FIQHERPVSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001022716485 791042434 /nfs/dbraw/zinc/04/24/34/791042434.db2.gz XTMUOYFIAFKVPT-RVMXOQNASA-N 2 0 294.399 -0.547 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001022646993 791038586 /nfs/dbraw/zinc/03/85/86/791038586.db2.gz BOOWRYCBACOWIO-XQQFMLRXSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001022646135 791039285 /nfs/dbraw/zinc/03/92/85/791039285.db2.gz BNVMGJUFJREBBY-WCFLWFBJSA-N 2 0 269.389 -0.054 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001022646330 791039498 /nfs/dbraw/zinc/03/94/98/791039498.db2.gz JNXLWPJBRQYHLE-XQQFMLRXSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022712261 791040689 /nfs/dbraw/zinc/04/06/89/791040689.db2.gz NYHUSIFMLVDZPA-GARJFASQSA-N 2 0 268.361 -0.807 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1)C(N)=O ZINC001022712252 791041896 /nfs/dbraw/zinc/04/18/96/791041896.db2.gz NNWHXSVFUYXVPQ-FIQHERPVSA-N 2 0 282.388 -0.419 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001022712761 791042011 /nfs/dbraw/zinc/04/20/11/791042011.db2.gz ZDWGBZMWXGMFFY-WUHRBBMRSA-N 2 0 294.399 -0.404 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001076987145 805669401 /nfs/dbraw/zinc/66/94/01/805669401.db2.gz DNEOUVJFJAZPMV-MGPQQGTHSA-N 2 0 299.415 -0.597 20 0 CBADRP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077004303 805670596 /nfs/dbraw/zinc/67/05/96/805670596.db2.gz XTRNWJILSURUJN-MGPQQGTHSA-N 2 0 297.399 -0.864 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014160 805673463 /nfs/dbraw/zinc/67/34/63/805673463.db2.gz GMTVSBKJPGUEHC-CHWSQXEVSA-N 2 0 295.387 -0.761 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001077675199 805764243 /nfs/dbraw/zinc/76/42/43/805764243.db2.gz FDCFXRPEPBAKAA-QJPTWQEYSA-N 2 0 255.362 -0.348 20 0 CBADRP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001077680512 805768886 /nfs/dbraw/zinc/76/88/86/805768886.db2.gz KOYAXWFXTYOIGW-JHJVBQTASA-N 2 0 269.389 -0.102 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001147892968 814925328 /nfs/dbraw/zinc/92/53/28/814925328.db2.gz MMZJAJAZYMJEGG-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078006663 805823440 /nfs/dbraw/zinc/82/34/40/805823440.db2.gz AWHFZBJTGNEHEZ-QJPTWQEYSA-N 2 0 255.362 -0.491 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012047 805823499 /nfs/dbraw/zinc/82/34/99/805823499.db2.gz SMFKOZPFTOZWQT-GHMZBOCLSA-N 2 0 253.346 -0.737 20 0 CBADRP C[C@@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011707 805824492 /nfs/dbraw/zinc/82/44/92/805824492.db2.gz CPDJPPICVSDLAS-JHJVBQTASA-N 2 0 299.390 -0.008 20 0 CBADRP O=C(N[C@@H]1C[N@@H+](CCCF)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078013115 805822194 /nfs/dbraw/zinc/82/21/94/805822194.db2.gz RRFJZOFIAYVZFV-VXGBXAGGSA-N 2 0 285.363 -0.397 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001147900682 814926682 /nfs/dbraw/zinc/92/66/82/814926682.db2.gz UIULCHPYVGBVPP-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP Cn1cc(CC[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001147977109 814927343 /nfs/dbraw/zinc/92/73/43/814927343.db2.gz JGOPTNKCRKLUSG-UHFFFAOYSA-N 2 0 291.399 -0.236 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977409 814927374 /nfs/dbraw/zinc/92/73/74/814927374.db2.gz RNIAJZLHFRYPOF-UHFFFAOYSA-N 2 0 296.415 -0.345 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147971282 814927899 /nfs/dbraw/zinc/92/78/99/814927899.db2.gz ZBRLFGXEMDMHIS-UHFFFAOYSA-N 2 0 278.360 -0.883 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080940040 806017956 /nfs/dbraw/zinc/01/79/56/806017956.db2.gz VBPIHGIIFILKAS-IJLUTSLNSA-N 2 0 255.362 -0.633 20 0 CBADRP CO[C@H](C)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977037 814928302 /nfs/dbraw/zinc/92/83/02/814928302.db2.gz GVOGVCNSQZYXQI-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066472 806142528 /nfs/dbraw/zinc/14/25/28/806142528.db2.gz TYAPFGCCGVDSEN-IGQOVBAYSA-N 2 0 299.415 -0.476 20 0 CBADRP COCCN1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001082133872 806148547 /nfs/dbraw/zinc/14/85/47/806148547.db2.gz UANGGCVCVLLVAR-MGPQQGTHSA-N 2 0 299.415 -0.068 20 0 CBADRP O=C(NCC[NH2+]CCN1CCCC1=O)C12CC[NH+](CC1)C2 ZINC001147994905 814929268 /nfs/dbraw/zinc/92/92/68/814929268.db2.gz UXBCNRFRCMMHHT-UHFFFAOYSA-N 2 0 294.399 -0.590 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CCO ZINC001082596637 806186386 /nfs/dbraw/zinc/18/63/86/806186386.db2.gz TZJYPDCWIBURGL-JHJVBQTASA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001082863755 806196520 /nfs/dbraw/zinc/19/65/20/806196520.db2.gz XIPMGEMXPSHERL-FRRDWIJNSA-N 2 0 281.400 -0.101 20 0 CBADRP COCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083274761 806245751 /nfs/dbraw/zinc/24/57/51/806245751.db2.gz YPHYEVYZMNHDRD-MELADBBJSA-N 2 0 297.399 -0.504 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]CCOCCO ZINC001148051169 814930040 /nfs/dbraw/zinc/93/00/40/814930040.db2.gz AVSMZRKIMDSLPJ-UHFFFAOYSA-N 2 0 296.371 -0.524 20 0 CBADRP CC(C)[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466478 806335450 /nfs/dbraw/zinc/33/54/50/806335450.db2.gz WCUYXAPYEKDIJA-MCIONIFRSA-N 2 0 281.400 -0.102 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148051221 814930492 /nfs/dbraw/zinc/93/04/92/814930492.db2.gz CWVSWPCVLLIEDU-JTQLQIEISA-N 2 0 293.371 -0.399 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001083719813 806414503 /nfs/dbraw/zinc/41/45/03/806414503.db2.gz XOCMOTYQGYFKDO-MJBXVCDLSA-N 2 0 299.415 -0.738 20 0 CBADRP CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781661 806432350 /nfs/dbraw/zinc/43/23/50/806432350.db2.gz QLMIEYRONKHGIZ-XQQFMLRXSA-N 2 0 269.389 -0.101 20 0 CBADRP CC(C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781515 806432479 /nfs/dbraw/zinc/43/24/79/806432479.db2.gz KOYAXWFXTYOIGW-UPJWGTAASA-N 2 0 269.389 -0.102 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083954650 806468217 /nfs/dbraw/zinc/46/82/17/806468217.db2.gz AWHFZBJTGNEHEZ-UTUOFQBUSA-N 2 0 255.362 -0.491 20 0 CBADRP CCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083958065 806469718 /nfs/dbraw/zinc/46/97/18/806469718.db2.gz XKLIIXOKFXVCMW-NEPJUHHUSA-N 2 0 267.373 -0.347 20 0 CBADRP O=C(N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958709 806470116 /nfs/dbraw/zinc/47/01/16/806470116.db2.gz RRFJZOFIAYVZFV-NEPJUHHUSA-N 2 0 285.363 -0.397 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CC3)C[C@@H]2O)C1 ZINC001084053567 806481497 /nfs/dbraw/zinc/48/14/97/806481497.db2.gz CBRCKVONMKBQGQ-MCIONIFRSA-N 2 0 281.400 -0.101 20 0 CBADRP C[N@H+](CC(=O)N1C[C@H]2CC[NH+](CCO)C[C@H]21)C1CCC1 ZINC001084409942 806517132 /nfs/dbraw/zinc/51/71/32/806517132.db2.gz PTVKVLGCBIJONB-TZMCWYRMSA-N 2 0 281.400 -0.004 20 0 CBADRP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21)[NH+](C)C ZINC001084668221 806531103 /nfs/dbraw/zinc/53/11/03/806531103.db2.gz NGGWZQNZHJSUQB-FRRDWIJNSA-N 2 0 269.389 -0.148 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](CCO)C[C@H]32)C1 ZINC001084775627 806534460 /nfs/dbraw/zinc/53/44/60/806534460.db2.gz OIROAKRHAORQFJ-MGPQQGTHSA-N 2 0 281.400 -0.147 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](CCO)C[C@H]32)C1 ZINC001084775626 806535164 /nfs/dbraw/zinc/53/51/64/806535164.db2.gz OIROAKRHAORQFJ-BFHYXJOUSA-N 2 0 281.400 -0.147 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)C1 ZINC001085393796 806554594 /nfs/dbraw/zinc/55/45/94/806554594.db2.gz KTNZVSGTDLOGQK-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1)C(N)=O ZINC001085421346 806554735 /nfs/dbraw/zinc/55/47/35/806554735.db2.gz AABZSEDTIFMJEU-YNEHKIRRSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927758 806622642 /nfs/dbraw/zinc/62/26/42/806622642.db2.gz GILXMTVTSOOURI-OLZOCXBDSA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927757 806623631 /nfs/dbraw/zinc/62/36/31/806623631.db2.gz GILXMTVTSOOURI-CHWSQXEVSA-N 2 0 281.400 -0.004 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086046431 806638831 /nfs/dbraw/zinc/63/88/31/806638831.db2.gz YIWBXRAGOLWRLZ-OUAUKWLOSA-N 2 0 268.361 -0.950 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001086046200 806638894 /nfs/dbraw/zinc/63/88/94/806638894.db2.gz OSUSFVLHSVLQRC-XQHKEYJVSA-N 2 0 294.399 -0.547 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022975727 798870711 /nfs/dbraw/zinc/87/07/11/798870711.db2.gz SJEFUSMKUTZAHW-WUHRBBMRSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023086451 798879588 /nfs/dbraw/zinc/87/95/88/798879588.db2.gz MEJJGVAIJFVQHX-WHOHXGKFSA-N 2 0 255.362 -0.444 20 0 CBADRP Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001023086300 798880067 /nfs/dbraw/zinc/88/00/67/798880067.db2.gz HJJZAOXJEHXOTB-UTUOFQBUSA-N 2 0 292.387 -0.198 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023088791 798881332 /nfs/dbraw/zinc/88/13/32/798881332.db2.gz JIEZXJQNONJXMO-UTUOFQBUSA-N 2 0 255.362 -0.300 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001023088655 798881858 /nfs/dbraw/zinc/88/18/58/798881858.db2.gz BJGXAWRGJKFJBM-FRRDWIJNSA-N 2 0 294.399 -0.402 20 0 CBADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001025708337 798971815 /nfs/dbraw/zinc/97/18/15/798971815.db2.gz PGOZZTKUSNBVOX-LBELIVKGSA-N 2 0 294.399 -0.739 20 0 CBADRP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025799045 798976363 /nfs/dbraw/zinc/97/63/63/798976363.db2.gz QLHFHQFOPFVXOK-PDWCTOEPSA-N 2 0 279.384 -0.084 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC001025820340 798978549 /nfs/dbraw/zinc/97/85/49/798978549.db2.gz OBNCYJOSAOJYNU-RGDJUOJXSA-N 2 0 281.400 -0.102 20 0 CBADRP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001026044229 798987845 /nfs/dbraw/zinc/98/78/45/798987845.db2.gz MBJXVMGBKSBLJX-QSLWVIQJSA-N 2 0 281.400 -0.123 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001026140329 798990867 /nfs/dbraw/zinc/99/08/67/798990867.db2.gz GEQXNRFIRTXHFY-GGAZOKNXSA-N 2 0 281.400 -0.245 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC001026148920 798992867 /nfs/dbraw/zinc/99/28/67/798992867.db2.gz FNBCLCWPVSVQQN-NYEGDDQHSA-N 2 0 281.400 -0.102 20 0 CBADRP C[C@H]([NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1)C(N)=O ZINC001026605844 799011549 /nfs/dbraw/zinc/01/15/49/799011549.db2.gz FYOKKWNSCMDOGS-HIFPTAJRSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681581 799064203 /nfs/dbraw/zinc/06/42/03/799064203.db2.gz YKFWNMMIMXGUCH-OLZOCXBDSA-N 2 0 296.415 -0.121 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001028580502 799152946 /nfs/dbraw/zinc/15/29/46/799152946.db2.gz XITGEFHQCHCYTP-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001028635694 799155980 /nfs/dbraw/zinc/15/59/80/799155980.db2.gz DWDFUUDQMBWSDZ-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCO)C1 ZINC001028637529 799156141 /nfs/dbraw/zinc/15/61/41/799156141.db2.gz XTXPOSDBPYMIFF-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CCO)C2)CC1 ZINC001028781288 799169832 /nfs/dbraw/zinc/16/98/32/799169832.db2.gz TXYDOHDDKUFAII-GFCCVEGCSA-N 2 0 269.389 -0.241 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028985259 799184354 /nfs/dbraw/zinc/18/43/54/799184354.db2.gz JYCMPVOMXPFYFP-RYUDHWBXSA-N 2 0 282.388 -0.878 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](CCO)C2)C1 ZINC001028987209 799184658 /nfs/dbraw/zinc/18/46/58/799184658.db2.gz WBWCSMLXDWRYKN-VXGBXAGGSA-N 2 0 255.362 -0.632 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001030021606 799212814 /nfs/dbraw/zinc/21/28/14/799212814.db2.gz FKHMPERYHUUPLC-SRVKXCTJSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681657 799531402 /nfs/dbraw/zinc/53/14/02/799531402.db2.gz DFJGYDNOAXJXOY-DMDPSCGWSA-N 2 0 269.389 -0.245 20 0 CBADRP O=C(NCC1C[NH+](CCCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031674562 799532453 /nfs/dbraw/zinc/53/24/53/799532453.db2.gz MDEKYFIWHGZTHN-AWEZNQCLSA-N 2 0 281.400 -0.241 20 0 CBADRP CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031688949 799533187 /nfs/dbraw/zinc/53/31/87/799533187.db2.gz OILBZQODFMZULL-QWHCGFSZSA-N 2 0 267.373 -0.083 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NCC2C[NH+](CCO)C2)cn1 ZINC001032043394 799574865 /nfs/dbraw/zinc/57/48/65/799574865.db2.gz HFRLOIFDRPEVTA-UHFFFAOYSA-N 2 0 295.387 -0.901 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)NCC1C[NH+](CCO)C1 ZINC001032133859 799586066 /nfs/dbraw/zinc/58/60/66/799586066.db2.gz MHJIIQCZEVAIGN-UHFFFAOYSA-N 2 0 278.356 -0.199 20 0 CBADRP O=C(NCC1C[NH+](CCO)C1)C12CC[NH+](CC1)C2 ZINC001032131951 799586139 /nfs/dbraw/zinc/58/61/39/799586139.db2.gz WXWKGQKSWOCIOI-UHFFFAOYSA-N 2 0 253.346 -0.878 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)C1 ZINC001032732240 799661590 /nfs/dbraw/zinc/66/15/90/799661590.db2.gz ZEFNXDVMDMOFDR-AVGNSLFASA-N 2 0 267.373 -0.394 20 0 CBADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCO)C1 ZINC001032959107 799697165 /nfs/dbraw/zinc/69/71/65/799697165.db2.gz CZJBMTMLEJKZSJ-NWDGAFQWSA-N 2 0 255.362 -0.394 20 0 CBADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](CCO)C1 ZINC001033083120 799715442 /nfs/dbraw/zinc/71/54/42/799715442.db2.gz VUAOCKAVBKKHAM-KGLIPLIRSA-N 2 0 281.400 -0.147 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](CCO)C2)C1 ZINC001033416313 799751700 /nfs/dbraw/zinc/75/17/00/799751700.db2.gz OZEBGCQVXYOYFV-OLZOCXBDSA-N 2 0 269.389 -0.147 20 0 CBADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CCO)C1 ZINC001033593849 799769592 /nfs/dbraw/zinc/76/95/92/799769592.db2.gz NAGHWUFKSWNNKE-GFCCVEGCSA-N 2 0 267.373 -0.393 20 0 CBADRP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCO)C1 ZINC001033777285 799789470 /nfs/dbraw/zinc/78/94/70/799789470.db2.gz UOOUPPPKBOZTPE-CHWSQXEVSA-N 2 0 269.389 -0.004 20 0 CBADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCO)C1 ZINC001034040567 799807181 /nfs/dbraw/zinc/80/71/81/799807181.db2.gz VNLDUTZGIXDFTA-CHWSQXEVSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001034606927 799848725 /nfs/dbraw/zinc/84/87/25/799848725.db2.gz IBCUXNKNAJUYAF-LPWJVIDDSA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)C1 ZINC001034734698 799854050 /nfs/dbraw/zinc/85/40/50/799854050.db2.gz VOCYYHSOGQOHFW-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034739190 799854856 /nfs/dbraw/zinc/85/48/56/799854856.db2.gz YUMPTMVPAOUUDM-ZDEQEGDKSA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1)C(N)=O ZINC001034793505 799855970 /nfs/dbraw/zinc/85/59/70/799855970.db2.gz FYOKKWNSCMDOGS-JHJVBQTASA-N 2 0 296.415 -0.027 20 0 CBADRP CC(C)N1CCO[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001035325493 799890832 /nfs/dbraw/zinc/89/08/32/799890832.db2.gz BDPGCHRDWHZFBB-OLZOCXBDSA-N 2 0 285.388 -0.458 20 0 CBADRP O=C(N1CCC2(C[NH+](CCO)C2)CC1)C12CC[NH+](CC1)C2 ZINC001035837315 799966105 /nfs/dbraw/zinc/96/61/05/799966105.db2.gz SOWSYEPUHALJJB-UHFFFAOYSA-N 2 0 293.411 -0.001 20 0 CBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1[NH2+]CC(N)=O ZINC001036264518 799985148 /nfs/dbraw/zinc/98/51/48/799985148.db2.gz ITMINGQWWSZFMC-NEPJUHHUSA-N 2 0 294.399 -0.606 20 0 CBADRP O=C(N1CC[C@@H]2[C@H](CC[N@H+]2CCO)C1)C12CC[NH+](CC1)C2 ZINC001036871694 800011343 /nfs/dbraw/zinc/01/13/43/800011343.db2.gz OSXJLBZJOWNLPR-ZIAGYGMSSA-N 2 0 293.411 -0.003 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038927685 801268048 /nfs/dbraw/zinc/26/80/48/801268048.db2.gz YZLJESFJMGGPST-NEPJUHHUSA-N 2 0 267.373 -0.347 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCCO)C1 ZINC001039028792 801282215 /nfs/dbraw/zinc/28/22/15/801282215.db2.gz QWVKBLXLJKWCNL-NEPJUHHUSA-N 2 0 255.362 -0.489 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@]3(CC[NH+](CC(N)=O)C3)C2)C1 ZINC001041829572 801422303 /nfs/dbraw/zinc/42/23/03/801422303.db2.gz YBIHLWYNQIPNMA-WFASDCNBSA-N 2 0 294.399 -0.652 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001041832981 801422794 /nfs/dbraw/zinc/42/27/94/801422794.db2.gz JQDDFHGEXUUJON-HNNXBMFYSA-N 2 0 281.400 -0.001 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001045310904 801691983 /nfs/dbraw/zinc/69/19/83/801691983.db2.gz WBETXARWMODFDP-STQMWFEESA-N 2 0 294.399 -0.449 20 0 CBADRP C[C@@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001045389081 801694316 /nfs/dbraw/zinc/69/43/16/801694316.db2.gz FUIQDUQQXQEXMW-RYUDHWBXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC2(C)CC[NH+](CCO)CC2)C1 ZINC001045640220 801707776 /nfs/dbraw/zinc/70/77/76/801707776.db2.gz IYWHCSCMUCONHQ-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](CCO)C2)C1 ZINC001046838126 801796383 /nfs/dbraw/zinc/79/63/83/801796383.db2.gz FITKYEZFIWRJBD-WCQYABFASA-N 2 0 255.362 -0.489 20 0 CBADRP CC(C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047324353 801834455 /nfs/dbraw/zinc/83/44/55/801834455.db2.gz PXXKGBHHYOJCOA-AGIUHOORSA-N 2 0 269.389 -0.008 20 0 CBADRP CO[C@@H](C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047545034 801896939 /nfs/dbraw/zinc/89/69/39/801896939.db2.gz NWYRSMQELHGQOW-DRZSPHRISA-N 2 0 296.371 -0.509 20 0 CBADRP CN(C(=O)Cc1cnc[nH]1)[C@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001047545742 801898847 /nfs/dbraw/zinc/89/88/47/801898847.db2.gz WNXXSMIXUQWAIF-STQMWFEESA-N 2 0 278.356 -0.134 20 0 CBADRP C[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048723777 801955478 /nfs/dbraw/zinc/95/54/78/801955478.db2.gz PFTFTUARYJIHPM-RVMXOQNASA-N 2 0 294.399 -0.655 20 0 CBADRP C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048723485 801956395 /nfs/dbraw/zinc/95/63/95/801956395.db2.gz FZPVOKDXDGRLPC-IGQOVBAYSA-N 2 0 281.400 -0.148 20 0 CBADRP C[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048723778 801956450 /nfs/dbraw/zinc/95/64/50/801956450.db2.gz PFTFTUARYJIHPM-WUHRBBMRSA-N 2 0 294.399 -0.655 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CCO)C[C@@H]3C2)C1 ZINC001049059289 801994438 /nfs/dbraw/zinc/99/44/38/801994438.db2.gz PTBUJLQYGJOYJD-MELADBBJSA-N 2 0 281.400 -0.289 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049059485 801994902 /nfs/dbraw/zinc/99/49/02/801994902.db2.gz RHPCUZJGIKGWNY-RWMBFGLXSA-N 2 0 294.399 -0.796 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1 ZINC001049060087 801995470 /nfs/dbraw/zinc/99/54/70/801995470.db2.gz MYWTZEUFCJFOTM-MQYQWHSLSA-N 2 0 281.400 -0.433 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCCO)C[C@@H]2C1 ZINC001049059959 801995922 /nfs/dbraw/zinc/99/59/22/801995922.db2.gz KJGNYFZFRLCATC-XQLPTFJDSA-N 2 0 295.427 -0.043 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1 ZINC001049059963 801996386 /nfs/dbraw/zinc/99/63/86/801996386.db2.gz KJHJDMWNRKINCD-WUHRBBMRSA-N 2 0 294.399 -0.940 20 0 CBADRP O=C(N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001049174215 802003591 /nfs/dbraw/zinc/00/35/91/802003591.db2.gz OTBSUDFXRHQKGN-OKILXGFUSA-N 2 0 293.411 -0.145 20 0 CBADRP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001049215018 802007173 /nfs/dbraw/zinc/00/71/73/802007173.db2.gz GHULTLJNMUSHGF-BETUJISGSA-N 2 0 294.399 -0.782 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CCCO)C[C@@H]3C2)C1 ZINC001049215233 802008273 /nfs/dbraw/zinc/00/82/73/802008273.db2.gz PLXWSQDODNMDBQ-MCIONIFRSA-N 2 0 281.400 -0.289 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCO)C1 ZINC001049894679 802043172 /nfs/dbraw/zinc/04/31/72/802043172.db2.gz GTHUSVWLGFQWDV-IHRRRGAJSA-N 2 0 281.400 -0.004 20 0 CBADRP CC[C@@H](C(=O)N1CC2(C1)CC[NH+](CC(N)=O)CC2)[NH+](C)C ZINC001050668754 802071176 /nfs/dbraw/zinc/07/11/76/802071176.db2.gz DBDHHIACMPCFMK-LBPRGKRZSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001051903335 802171161 /nfs/dbraw/zinc/17/11/61/802171161.db2.gz RJRZWOUVEMXBMG-GFCCVEGCSA-N 2 0 267.373 -0.081 20 0 CBADRP CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001051931752 802172257 /nfs/dbraw/zinc/17/22/57/802172257.db2.gz FBFCXMXARUWPDI-LBPRGKRZSA-N 2 0 255.362 -0.081 20 0 CBADRP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC001051933418 802172611 /nfs/dbraw/zinc/17/26/11/802172611.db2.gz HMQZNERGRTVPAD-UONOGXRCSA-N 2 0 299.415 -0.208 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC(N)=O)CC1 ZINC001052255210 802188408 /nfs/dbraw/zinc/18/84/08/802188408.db2.gz XNTPUSAEEASOMV-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001052931962 802224892 /nfs/dbraw/zinc/22/48/92/802224892.db2.gz DZQGKPCTOKHMCC-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001052931961 802225101 /nfs/dbraw/zinc/22/51/01/802225101.db2.gz DZQGKPCTOKHMCC-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1[NH2+]CCO ZINC001054734974 802367230 /nfs/dbraw/zinc/36/72/30/802367230.db2.gz HCUNUUWSUACATA-NEPJUHHUSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC(N)=O ZINC001054736543 802367349 /nfs/dbraw/zinc/36/73/49/802367349.db2.gz KJMURTVEGBWHCL-ZYHUDNBSSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1[NH2+]CC(N)=O ZINC001054742360 802369271 /nfs/dbraw/zinc/36/92/71/802369271.db2.gz ZDFHOEDDNJXZTP-QWRGUYRKSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1[NH2+]CC(N)=O ZINC001054853313 802375289 /nfs/dbraw/zinc/37/52/89/802375289.db2.gz FZOLIVDNKOLGLW-NEPJUHHUSA-N 2 0 294.399 -0.463 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC)C[C@H]1O ZINC001100082433 811015956 /nfs/dbraw/zinc/01/59/56/811015956.db2.gz BQPXPGREPCRVAY-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP Cn1nccc1CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001118149607 812479628 /nfs/dbraw/zinc/47/96/28/812479628.db2.gz KVKJGCCGVRECPJ-CQSZACIVSA-N 2 0 281.404 -0.840 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cccnc2)CC1 ZINC001118148934 812479193 /nfs/dbraw/zinc/47/91/93/812479193.db2.gz ZVWCGHWFVYFGIC-CQSZACIVSA-N 2 0 264.373 -0.221 20 0 CBADRP O=C(Cc1cnc[nH]1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001119569597 812812270 /nfs/dbraw/zinc/81/22/70/812812270.db2.gz OOSFNZYPWYBYSQ-NWDGAFQWSA-N 2 0 264.329 -0.380 20 0 CBADRP CC(C)[NH+]1CCN(CCCNC(C[NH3+])C[NH3+])CC1 ZINC001119683183 812866668 /nfs/dbraw/zinc/86/66/68/812866668.db2.gz ZZFNNDKFXCQLPF-UHFFFAOYSA-N 3 0 257.426 -0.722 20 0 CBADRP C[NH+](C)CCNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001121935721 813091258 /nfs/dbraw/zinc/09/12/58/813091258.db2.gz BINNCXSRMQXOFH-GFCCVEGCSA-N 2 0 254.334 -0.437 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)NC[C@@H]([NH3+])C2CC2)n1 ZINC001121930409 813091267 /nfs/dbraw/zinc/09/12/67/813091267.db2.gz HGFRJFQHIUKUKB-SNVBAGLBSA-N 2 0 251.334 -0.301 20 0 CBADRP C[NH+]1CCC(OCC(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC001121930330 813091405 /nfs/dbraw/zinc/09/14/05/813091405.db2.gz DIKIGGPOQXOPHY-GFCCVEGCSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1CCC[NH2+]C1 ZINC001121930808 813091580 /nfs/dbraw/zinc/09/15/80/813091580.db2.gz UMEXOJWWDMDCAC-GRYCIOLGSA-N 2 0 252.362 -0.757 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001121936655 813092446 /nfs/dbraw/zinc/09/24/46/813092446.db2.gz FTNHDVFOFJKEMG-GFCCVEGCSA-N 2 0 255.362 -0.360 20 0 CBADRP CSCC[C@H]([NH3+])CC(=O)N1CCO[C@H](C[NH3+])C1 ZINC001122014748 813104932 /nfs/dbraw/zinc/10/49/32/813104932.db2.gz GGWJQZOLOPAJMY-VHSXEESVSA-N 2 0 261.391 -0.357 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC001122101199 813117559 /nfs/dbraw/zinc/11/75/59/813117559.db2.gz YBUNBXLSVSLMLN-ZJUUUORDSA-N 2 0 261.391 -0.880 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001122105483 813117821 /nfs/dbraw/zinc/11/78/21/813117821.db2.gz QFTCPTARAQFGEV-CVZZAPKMSA-N 2 0 265.357 -0.295 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC001122101010 813117986 /nfs/dbraw/zinc/11/79/86/813117986.db2.gz UXPWGYWYTIVYIT-NWDGAFQWSA-N 2 0 254.378 -0.380 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]C ZINC001122101148 813118250 /nfs/dbraw/zinc/11/82/50/813118250.db2.gz XOUQEXPWTVVGTI-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC2(C[NH2+]C2)CC1 ZINC001122130421 813121415 /nfs/dbraw/zinc/12/14/15/813121415.db2.gz WNVVBGPUPWCEFE-LLVKDONJSA-N 2 0 253.346 -0.423 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CCC2(C[NH2+]C2)CC1 ZINC001122130423 813121461 /nfs/dbraw/zinc/12/14/61/813121461.db2.gz WNVVBGPUPWCEFE-NSHDSACASA-N 2 0 253.346 -0.423 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001122127051 813121501 /nfs/dbraw/zinc/12/15/01/813121501.db2.gz SIDKMQRBDZKMKO-OAHLLOKOSA-N 2 0 299.415 -0.282 20 0 CBADRP C[NH2+]C1CC(C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001122175957 813128240 /nfs/dbraw/zinc/12/82/40/813128240.db2.gz ROSGIZBVQRGNQG-CXQJBGSLSA-N 2 0 255.362 -0.443 20 0 CBADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[C@H]1COCC[NH2+]1)C2 ZINC001122404508 813159752 /nfs/dbraw/zinc/15/97/52/813159752.db2.gz YZIKSWOFZMCJPL-BJDJZHNGSA-N 2 0 253.346 -0.297 20 0 CBADRP C[C@H](NC(=O)CC(C)(C)[NH3+])[C@H]1C[N@H+](C)CCN1C ZINC001122449127 813166534 /nfs/dbraw/zinc/16/65/34/813166534.db2.gz SSMAVCBPGSEKHR-WDEREUQCSA-N 2 0 256.394 -0.136 20 0 CBADRP C[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)[C@H]1C[N@H+](C)CCN1C ZINC001122450056 813166934 /nfs/dbraw/zinc/16/69/34/813166934.db2.gz ZJENEJCEQIUVGS-WCFLWFBJSA-N 2 0 266.389 -0.216 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)C1 ZINC001129328229 813837541 /nfs/dbraw/zinc/83/75/41/813837541.db2.gz NKMZSZAVRIFZBF-NEPJUHHUSA-N 2 0 284.404 -0.456 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129341444 813837620 /nfs/dbraw/zinc/83/76/20/813837620.db2.gz UYKVESMVKCDVNG-ZDUSSCGKSA-N 2 0 298.431 -0.194 20 0 CBADRP CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294560 814237057 /nfs/dbraw/zinc/23/70/57/814237057.db2.gz NHONGOPQXQPOAM-GFCCVEGCSA-N 2 0 286.420 -0.051 20 0 CBADRP CC1CCN(C(=O)C[NH2+]CCNC(=O)CC[NH+](C)C)CC1 ZINC001133294415 814237221 /nfs/dbraw/zinc/23/72/21/814237221.db2.gz ICSYYQIQIBUNQW-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294393 814237615 /nfs/dbraw/zinc/23/76/15/814237615.db2.gz HFJDZBCJYOFHQZ-GFCCVEGCSA-N 2 0 286.420 -0.099 20 0 CBADRP Cn1cncc1C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294468 814237933 /nfs/dbraw/zinc/23/79/33/814237933.db2.gz KCUQHCRHTMDUSW-UHFFFAOYSA-N 2 0 253.350 -0.422 20 0 CBADRP Cc1nn(C)cc1C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294356 814238000 /nfs/dbraw/zinc/23/80/00/814238000.db2.gz FIAAZMLLBXXFOD-UHFFFAOYSA-N 2 0 267.377 -0.114 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)Nc1nccs1 ZINC001133294656 814238317 /nfs/dbraw/zinc/23/83/17/814238317.db2.gz OSPOJURXJKUBME-UHFFFAOYSA-N 2 0 299.400 -0.261 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148359943 814940102 /nfs/dbraw/zinc/94/01/02/814940102.db2.gz HPFGVCCGMDOSRF-UHFFFAOYSA-N 2 0 282.392 -0.247 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)CC[N@H+](C)CCC ZINC001148570814 814950492 /nfs/dbraw/zinc/95/04/92/814950492.db2.gz MYSVJYDAHJAKFV-UHFFFAOYSA-N 2 0 286.420 -0.050 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1cncn1C ZINC001148638705 814953803 /nfs/dbraw/zinc/95/38/03/814953803.db2.gz ODZIDVMOPUZUBX-UHFFFAOYSA-N 2 0 267.377 -0.032 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001148638376 814953817 /nfs/dbraw/zinc/95/38/17/814953817.db2.gz GLIPNSSDLKCCSI-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N(C)C(C)C ZINC001148638066 814954360 /nfs/dbraw/zinc/95/43/60/814954360.db2.gz AJJPKEIOFQWQOC-UHFFFAOYSA-N 2 0 286.420 -0.099 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CCn1cncn1 ZINC001148643242 814954870 /nfs/dbraw/zinc/95/48/70/814954870.db2.gz WARVXGZQFUOHNV-UHFFFAOYSA-N 2 0 268.365 -0.674 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001148638710 814955362 /nfs/dbraw/zinc/95/53/62/814955362.db2.gz OIJHFFJOESGKGN-UHFFFAOYSA-N 2 0 270.377 -0.734 20 0 CBADRP N=c1ncc(C[NH3+])cn1C(=O)c1ccc(NC(N)=[NH2+])cc1 ZINC001148654908 814956336 /nfs/dbraw/zinc/95/63/36/814956336.db2.gz BOWWQPRYXSJABW-UHFFFAOYSA-N 2 0 285.311 -0.185 20 0 CBADRP C[C@@H](C[NH2+]CCOCCO)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001321899247 803835516 /nfs/dbraw/zinc/83/55/16/803835516.db2.gz XSKIQYHFHZGVJB-QWHCGFSZSA-N 2 0 287.404 -0.426 20 0 CBADRP CN(CCC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001322442451 803897516 /nfs/dbraw/zinc/89/75/16/803897516.db2.gz LZBLRZAGRYWCLI-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)[C@H](C(=O)N(C)CCC[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001322683600 803927802 /nfs/dbraw/zinc/92/78/02/803927802.db2.gz SICWTMKPQMBDSE-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CCC[NH2+][C@H]1CCN(C)C1=O ZINC001322796802 803940105 /nfs/dbraw/zinc/94/01/05/803940105.db2.gz QTWXTIMMWCMEQP-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP O=C(NCC[NH2+]CCCO)[C@@]12CC[N@H+](C1)CCC2 ZINC001149238543 814978817 /nfs/dbraw/zinc/97/88/17/814978817.db2.gz BCUSEXJFRHDDEA-ZDUSSCGKSA-N 2 0 255.362 -0.440 20 0 CBADRP C[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001322830922 803945228 /nfs/dbraw/zinc/94/52/28/803945228.db2.gz FOTLAKFJLSDEID-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP C[NH+](CCCC[N@@H+](C)[C@@H]1CCNC1=O)[C@H]1CCNC1=O ZINC001323168363 803982996 /nfs/dbraw/zinc/98/29/96/803982996.db2.gz HHNWFUOFWNNGBP-TXEJJXNPSA-N 2 0 282.388 -0.593 20 0 CBADRP CCOCCN1CC[C@H]1CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001323355610 804013119 /nfs/dbraw/zinc/01/31/19/804013119.db2.gz FEGCGZUXPLHJAB-KBPBESRZSA-N 2 0 299.415 -0.066 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001323407156 804023271 /nfs/dbraw/zinc/02/32/71/804023271.db2.gz ULSGHZVMHRRXKN-UWVGGRQHSA-N 2 0 268.361 -0.807 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CCOCCO)C1 ZINC001324649333 804184797 /nfs/dbraw/zinc/18/47/97/804184797.db2.gz YFDJHUPXMHCOLY-AWEZNQCLSA-N 2 0 287.404 -0.472 20 0 CBADRP CN(CCF)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001325199027 804257346 /nfs/dbraw/zinc/25/73/46/804257346.db2.gz BEMYFQYPOBPDDC-UHFFFAOYSA-N 2 0 290.383 -0.634 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC001325390048 804282554 /nfs/dbraw/zinc/28/25/54/804282554.db2.gz ARAFZBDXDCUPIJ-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001325392436 804283329 /nfs/dbraw/zinc/28/33/29/804283329.db2.gz IDFCFEWYSBRLQG-UTUOFQBUSA-N 2 0 284.404 -0.171 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001325705109 804307731 /nfs/dbraw/zinc/30/77/31/804307731.db2.gz RXADNDOYDJGVCN-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP CN(C)C(=O)CCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001325841463 804323233 /nfs/dbraw/zinc/32/32/33/804323233.db2.gz ZJQQLEZZHAYMPT-ZDUSSCGKSA-N 2 0 286.420 -0.947 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001325864817 804327434 /nfs/dbraw/zinc/32/74/34/804327434.db2.gz XRADPSAHGDWKNP-INTQDDNPSA-N 2 0 266.349 -0.797 20 0 CBADRP C[C@@H](C[NH2+]CCS(C)(=O)=O)CN1CC[NH+](C)CC1 ZINC001325872254 804329340 /nfs/dbraw/zinc/32/93/40/804329340.db2.gz VAVZPSPWOVOQEF-LBPRGKRZSA-N 2 0 277.434 -0.496 20 0 CBADRP C[N@H+](CC(=O)NC[C@H]1C[NH+](CCO)CCCO1)C1CCC1 ZINC001149854165 815011251 /nfs/dbraw/zinc/01/12/51/815011251.db2.gz GYFVFPYGVPMFFO-AWEZNQCLSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCO)CCCO1)[NH+](C)C ZINC001149886508 815013651 /nfs/dbraw/zinc/01/36/51/815013651.db2.gz AIULVNDIZCGEHS-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1C[N@H+](CCO)CCCO1)[NH+](C)C ZINC001149886509 815013681 /nfs/dbraw/zinc/01/36/81/815013681.db2.gz AIULVNDIZCGEHS-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP COCC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240291 815022025 /nfs/dbraw/zinc/02/20/25/815022025.db2.gz DWTLDNYJXSVJNQ-ZDUSSCGKSA-N 2 0 287.404 -0.208 20 0 CBADRP COCC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240290 815021882 /nfs/dbraw/zinc/02/18/82/815021882.db2.gz DWTLDNYJXSVJNQ-CYBMUJFWSA-N 2 0 287.404 -0.208 20 0 CBADRP C[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241558 815021505 /nfs/dbraw/zinc/02/15/05/815021505.db2.gz PXVKVFPSFYTLQK-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCCO)CCCO1 ZINC001150240965 815021530 /nfs/dbraw/zinc/02/15/30/815021530.db2.gz KFQOBPNOJVQUPE-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cnn2cccnc12 ZINC001150660876 815038327 /nfs/dbraw/zinc/03/83/27/815038327.db2.gz XTWLQFUBTZAIAW-UHFFFAOYSA-N 2 0 275.316 -0.196 20 0 CBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151048484 815052275 /nfs/dbraw/zinc/05/22/75/815052275.db2.gz BOVKNYZEHGLWDJ-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001151049172 815052298 /nfs/dbraw/zinc/05/22/98/815052298.db2.gz JGXFIVPFQIVJIY-GFCCVEGCSA-N 2 0 282.388 -0.734 20 0 CBADRP Cn1nccc1C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049246 815053383 /nfs/dbraw/zinc/05/33/83/815053383.db2.gz LGIPNBYRAVTIAA-LLVKDONJSA-N 2 0 265.361 -0.422 20 0 CBADRP COc1nccc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001151049810 815053657 /nfs/dbraw/zinc/05/36/57/815053657.db2.gz ZKKUBEKCFMKLMI-LLVKDONJSA-N 2 0 293.371 -0.357 20 0 CBADRP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097128 805171473 /nfs/dbraw/zinc/17/14/73/805171473.db2.gz CZKZALQBXNECGO-XQQFMLRXSA-N 2 0 292.387 -0.409 20 0 CBADRP CN1CCC[C@@H]([NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001151055991 815054355 /nfs/dbraw/zinc/05/43/55/815054355.db2.gz JTBPRGYJUWFOCC-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001151065994 815056217 /nfs/dbraw/zinc/05/62/17/815056217.db2.gz PDCKWZBEDGVYHW-QWHCGFSZSA-N 2 0 296.415 -0.440 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001151065217 815056662 /nfs/dbraw/zinc/05/66/62/815056662.db2.gz IMNWRGSEQCJGFY-NEPJUHHUSA-N 2 0 292.387 -0.577 20 0 CBADRP CC(C)N1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001151066981 815057973 /nfs/dbraw/zinc/05/79/73/815057973.db2.gz ZSBNTDRVTZLSGF-QWHCGFSZSA-N 2 0 296.415 -0.347 20 0 CBADRP CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151074197 815058467 /nfs/dbraw/zinc/05/84/67/815058467.db2.gz XDXCWWHIQGYGOL-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151074372 815058845 /nfs/dbraw/zinc/05/88/45/815058845.db2.gz XDXCWWHIQGYGOL-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151097262 815060299 /nfs/dbraw/zinc/06/02/99/815060299.db2.gz MFSDUUPGUDTSIB-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP Cn1cc(CC[NH2+]CCNC(=O)C[NH+]2CCCC2)cn1 ZINC001151097689 815060317 /nfs/dbraw/zinc/06/03/17/815060317.db2.gz PJYNQBUTGSFYRU-UHFFFAOYSA-N 2 0 279.388 -0.236 20 0 CBADRP CN(C(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001151096607 815060414 /nfs/dbraw/zinc/06/04/14/815060414.db2.gz CWTXQDIBTPCWTO-UHFFFAOYSA-N 2 0 282.388 -0.591 20 0 CBADRP O=C(C[NH2+]CCNC(=O)C[NH+]1CCCC1)NCC1CC1 ZINC001151096753 815060583 /nfs/dbraw/zinc/06/05/83/815060583.db2.gz FHAIFCNDBVGCEG-UHFFFAOYSA-N 2 0 282.388 -0.686 20 0 CBADRP CCCCNC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151096476 815060897 /nfs/dbraw/zinc/06/08/97/815060897.db2.gz BKOVNQUGDZPRJM-UHFFFAOYSA-N 2 0 284.404 -0.296 20 0 CBADRP Cn1cncc1C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151114265 815061520 /nfs/dbraw/zinc/06/15/20/815061520.db2.gz HJHHFNDFUZFDKJ-UHFFFAOYSA-N 2 0 265.361 -0.278 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001151100728 815062165 /nfs/dbraw/zinc/06/21/65/815062165.db2.gz FUVXUODQOIYBQQ-GFCCVEGCSA-N 2 0 292.387 -0.433 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001151101153 815062395 /nfs/dbraw/zinc/06/23/95/815062395.db2.gz OBZACDKXJVBXRT-AWEZNQCLSA-N 2 0 299.415 -0.016 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC3(C2)CC[NH+](CCO)C3)C1 ZINC001072983336 805354228 /nfs/dbraw/zinc/35/42/28/805354228.db2.gz SCVCBVKIFXVLCR-CYBMUJFWSA-N 2 0 281.400 -0.145 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001073426152 805370397 /nfs/dbraw/zinc/37/03/97/805370397.db2.gz RYPIFXNTSVSDRA-CHWSQXEVSA-N 2 0 281.400 -0.147 20 0 CBADRP COCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073554390 805389261 /nfs/dbraw/zinc/38/92/61/805389261.db2.gz GZYQJKFWNVQMSQ-KBPBESRZSA-N 2 0 299.415 -0.066 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCCO1 ZINC001073661659 805403338 /nfs/dbraw/zinc/40/33/38/805403338.db2.gz BLSNOCINWVQCAG-KGLIPLIRSA-N 2 0 299.415 -0.330 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCO)CCCO2)CC1 ZINC001073755935 805413669 /nfs/dbraw/zinc/41/36/69/805413669.db2.gz NYQRBYBEBLXERE-CQSZACIVSA-N 2 0 299.415 -0.472 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C)[NH+](C)C ZINC001074709401 805467727 /nfs/dbraw/zinc/46/77/27/805467727.db2.gz APBRCDOTAUMKGN-SDDRHHMPSA-N 2 0 257.378 -0.102 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)[C@@H]1C)[NH+](C)C ZINC001074711085 805467815 /nfs/dbraw/zinc/46/78/15/805467815.db2.gz PYGWHATYDVANFW-ZDEQEGDKSA-N 2 0 296.415 -0.206 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]32)CC[N@@H+]1C ZINC001075809024 805533741 /nfs/dbraw/zinc/53/37/41/805533741.db2.gz OMLQHNFHNUNRRH-XJFOESAGSA-N 2 0 281.400 -0.148 20 0 CBADRP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](CCO)C[C@H]21)C1CCC1 ZINC001075886062 805538814 /nfs/dbraw/zinc/53/88/14/805538814.db2.gz AAQPCWTUDVKTMU-GXTWGEPZSA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@H](O)C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152230961 815111946 /nfs/dbraw/zinc/11/19/46/815111946.db2.gz TZNHDNXGUQJMQN-LBPRGKRZSA-N 2 0 257.378 -0.051 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152222793 815110776 /nfs/dbraw/zinc/11/07/76/815110776.db2.gz BUXYALOAHGDYIK-UHFFFAOYSA-N 2 0 284.404 -0.296 20 0 CBADRP O=C(CCC[NH+]1CCCC1)NCC[NH2+][C@H]1CCNC1=O ZINC001152222823 815110982 /nfs/dbraw/zinc/11/09/82/815110982.db2.gz CHUICHCPELLUQY-LBPRGKRZSA-N 2 0 282.388 -0.543 20 0 CBADRP O=C(CCC[NH+]1CCCC1)NCC[NH2+]CC(=O)N1CCC1 ZINC001152224439 815111253 /nfs/dbraw/zinc/11/12/53/815111253.db2.gz XNAAHGWYOPFMPU-UHFFFAOYSA-N 2 0 296.415 -0.200 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152224456 815111524 /nfs/dbraw/zinc/11/15/24/815111524.db2.gz YHMJIOLADWQPIN-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1)C(N)=O ZINC001152245131 815111902 /nfs/dbraw/zinc/11/19/02/815111902.db2.gz AYAWXVAOOWXZGK-LLVKDONJSA-N 2 0 292.383 -0.059 20 0 CBADRP O=C(CCC[NH+]1CCCC1)NCC[NH2+]CCn1cncn1 ZINC001152237564 815112545 /nfs/dbraw/zinc/11/25/45/815112545.db2.gz PWEAPFULGAKBRZ-UHFFFAOYSA-N 2 0 294.403 -0.140 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152347161 815116445 /nfs/dbraw/zinc/11/64/45/815116445.db2.gz DQDRUVSIECKPGC-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001152347975 815116472 /nfs/dbraw/zinc/11/64/72/815116472.db2.gz JVSRPHGQDBYLTH-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001152347974 815116780 /nfs/dbraw/zinc/11/67/80/815116780.db2.gz JVSRPHGQDBYLTH-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001152340088 815117187 /nfs/dbraw/zinc/11/71/87/815117187.db2.gz GANCQLVPASKXBK-NSHDSACASA-N 2 0 270.377 -0.558 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001152439303 815121003 /nfs/dbraw/zinc/12/10/03/815121003.db2.gz HSFHLEZHTMKASE-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CCn1cncn1 ZINC001152431690 815121350 /nfs/dbraw/zinc/12/13/50/815121350.db2.gz AEEPNPWUXWRNMX-UHFFFAOYSA-N 2 0 268.365 -0.676 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001152451786 815123053 /nfs/dbraw/zinc/12/30/53/815123053.db2.gz HHVRCQYQYUTULB-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152445874 815123387 /nfs/dbraw/zinc/12/33/87/815123387.db2.gz QAPXITCDBREOEE-LBPRGKRZSA-N 2 0 286.420 -0.053 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152470440 815124148 /nfs/dbraw/zinc/12/41/48/815124148.db2.gz AJLZFRCESZQNGK-ZDUSSCGKSA-N 2 0 284.404 -0.441 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)[NH+]1CCCC1 ZINC001152470703 815124301 /nfs/dbraw/zinc/12/43/01/815124301.db2.gz FOOCPSNRPPSBDD-NEPJUHHUSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)C(N)=O ZINC001152458353 815124739 /nfs/dbraw/zinc/12/47/39/815124739.db2.gz NYTKJMXGZBHREO-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(C)(C)[NH+]1CCN(C(=O)[C@]2(N)CC[NH2+]C2)CC1 ZINC001160577297 815639923 /nfs/dbraw/zinc/63/99/23/815639923.db2.gz IZLINAKFXUMEGH-ZDUSSCGKSA-N 2 0 254.378 -0.380 20 0 CBADRP C[C@@H](CN1CC[NH2+]CC1)Nc1cc(C[NH3+])ncn1 ZINC001154748618 815237769 /nfs/dbraw/zinc/23/77/69/815237769.db2.gz HEIDWVKMOAULME-JTQLQIEISA-N 2 0 250.350 -0.359 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])c1ccc2c(n1)CC[NH2+]C2 ZINC001154765676 815238750 /nfs/dbraw/zinc/23/87/50/815238750.db2.gz GAXZAKZLUHHHRD-UHFFFAOYSA-N 2 0 270.358 -0.548 20 0 CBADRP [NH3+]Cc1cn(-c2cncc(N3CC[NH2+]CC3)n2)cn1 ZINC001154909341 815248518 /nfs/dbraw/zinc/24/85/18/815248518.db2.gz PMWOFDCXHYQYMG-UHFFFAOYSA-N 2 0 259.317 -0.469 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1c1ncc2c(n1)CC[NH2+]C2 ZINC001154970967 815255171 /nfs/dbraw/zinc/25/51/71/815255171.db2.gz ZMKBXFZSHNIDTC-LBPRGKRZSA-N 2 0 277.372 -0.111 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1c1cc(C[NH3+])ncn1 ZINC001154969803 815255353 /nfs/dbraw/zinc/25/53/53/815255353.db2.gz SNBRMWHLOJGMCJ-LLVKDONJSA-N 2 0 251.334 -0.298 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1c1ncnc2c1CC[NH2+]C2 ZINC001154970963 815255550 /nfs/dbraw/zinc/25/55/50/815255550.db2.gz ZGTSYUDYQUVRNT-NSHDSACASA-N 2 0 277.372 -0.111 20 0 CBADRP [NH3+]Cc1cc(N2CCC[C@@H](N3CC(C[NH3+])C3)C2)ncn1 ZINC001155373453 815279755 /nfs/dbraw/zinc/27/97/55/815279755.db2.gz QYCLALRCCSFCPD-CYBMUJFWSA-N 2 0 276.388 -0.205 20 0 CBADRP c1nc(NCc2nnn3c2C[NH2+]CCC3)nc2c1C[NH2+]C2 ZINC001155393550 815281875 /nfs/dbraw/zinc/28/18/75/815281875.db2.gz CMXORORSGUVEGX-UHFFFAOYSA-N 2 0 286.343 -0.223 20 0 CBADRP c1nc2c(c(N[C@@H]3COCCC34C[NH2+]C4)n1)CC[NH2+]C2 ZINC001155462297 815285206 /nfs/dbraw/zinc/28/52/06/815285206.db2.gz POBJWNFKVCMMMJ-GFCCVEGCSA-N 2 0 275.356 -0.087 20 0 CBADRP c1nc(N[C@@H]2COCCC23C[NH2+]C3)nc2c1C[NH2+]CC2 ZINC001155462723 815285970 /nfs/dbraw/zinc/28/59/70/815285970.db2.gz SNOFROZCHMJDBE-GFCCVEGCSA-N 2 0 275.356 -0.087 20 0 CBADRP c1nc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)nc2c1C[NH2+]CC2 ZINC001155502589 815288250 /nfs/dbraw/zinc/28/82/50/815288250.db2.gz HYFMCIXEZKTFOW-YUSALJHKSA-N 2 0 261.329 -0.479 20 0 CBADRP c1c(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)nnc2c1C[NH2+]CC2 ZINC001155506723 815289062 /nfs/dbraw/zinc/28/90/62/815289062.db2.gz YZLXOROTVSISJM-YUSALJHKSA-N 2 0 261.329 -0.479 20 0 CBADRP [NH3+]Cc1cc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)ncn1 ZINC001155522982 815290251 /nfs/dbraw/zinc/29/02/51/815290251.db2.gz LSNBEQHSSSZREZ-JLLWLGSASA-N 2 0 263.345 -0.028 20 0 CBADRP Cc1cnc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)c(C[NH3+])c1 ZINC001155573780 815296848 /nfs/dbraw/zinc/29/68/48/815296848.db2.gz COJCNCYIGYOYDF-MFKMUULPSA-N 2 0 261.329 -0.161 20 0 CBADRP c1nc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)nc2c1C[NH2+]CC2 ZINC001155634934 815301679 /nfs/dbraw/zinc/30/16/79/815301679.db2.gz GUNMELFJTRHRJD-WOPDTQHZSA-N 2 0 261.329 -0.337 20 0 CBADRP c1cc(N2CC[NH2+]CC2)nnc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001155637888 815302074 /nfs/dbraw/zinc/30/20/74/815302074.db2.gz XRUYAISFEVTJQR-SUNKGSAMSA-N 2 0 290.371 -0.573 20 0 CBADRP Cn1ncc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001155789620 815311341 /nfs/dbraw/zinc/31/13/41/815311341.db2.gz FTAFSSGXZYLTNO-GFCCVEGCSA-N 2 0 280.376 -0.495 20 0 CBADRP Cn1ncnc1C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155790805 815312289 /nfs/dbraw/zinc/31/22/89/815312289.db2.gz NTBVPBCUARNYSO-LLVKDONJSA-N 2 0 280.376 -0.495 20 0 CBADRP CCn1cc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C)nn1 ZINC001155811798 815314430 /nfs/dbraw/zinc/31/44/30/815314430.db2.gz JPXMFBKYOPWYMO-ZDUSSCGKSA-N 2 0 294.403 -0.012 20 0 CBADRP Cc1nnc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001155811361 815314552 /nfs/dbraw/zinc/31/45/52/815314552.db2.gz HTNHZUAYNPTCCT-NSHDSACASA-N 2 0 280.376 -0.197 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)NC1CC1 ZINC001155822604 815315430 /nfs/dbraw/zinc/31/54/30/815315430.db2.gz VSFYOQZCAQTTKW-DGCLKSJQSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001155810516 815315633 /nfs/dbraw/zinc/31/56/33/815315633.db2.gz CIXSTIGIYLEPJI-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP [NH3+]CCN(CCO)c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001155954163 815326193 /nfs/dbraw/zinc/32/61/93/815326193.db2.gz WUIKYAYIOQAMFT-UHFFFAOYSA-N 2 0 281.360 -0.635 20 0 CBADRP [NH3+][C@H]1CCN(c2nccc(N3CCC([NH3+])CC3)n2)C1 ZINC001156225791 815346486 /nfs/dbraw/zinc/34/64/86/815346486.db2.gz HBNFNKIIYPWADU-NSHDSACASA-N 2 0 262.361 -0.059 20 0 CBADRP [NH3+][C@H]1CCN(c2ncccc2C(=O)N2CC[NH2+]CC2)C1 ZINC001156227614 815346939 /nfs/dbraw/zinc/34/69/39/815346939.db2.gz UNAZPIVIONHBIL-NSHDSACASA-N 2 0 275.356 -0.336 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086101953 810241504 /nfs/dbraw/zinc/24/15/04/810241504.db2.gz CCIDLGKOQQTFEC-FRRDWIJNSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086253905 810251709 /nfs/dbraw/zinc/25/17/09/810251709.db2.gz AFNVMSDSWYEFHH-RWMBFGLXSA-N 2 0 281.400 -0.053 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086253906 810252601 /nfs/dbraw/zinc/25/26/01/810252601.db2.gz AFNVMSDSWYEFHH-UPJWGTAASA-N 2 0 281.400 -0.053 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086364967 810265653 /nfs/dbraw/zinc/26/56/53/810265653.db2.gz ZPZSEYZDXXCHPW-JHJVBQTASA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001086466423 810273154 /nfs/dbraw/zinc/27/31/54/810273154.db2.gz CBUFFAAGCBNWKU-GVXVVHGQSA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086478503 810274207 /nfs/dbraw/zinc/27/42/07/810274207.db2.gz QYMJANLNGVYRSQ-FIQHERPVSA-N 2 0 282.388 -0.846 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086478501 810274334 /nfs/dbraw/zinc/27/43/34/810274334.db2.gz QYMJANLNGVYRSQ-BJDJZHNGSA-N 2 0 282.388 -0.846 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001086534386 810276907 /nfs/dbraw/zinc/27/69/07/810276907.db2.gz DTJIGWXTEKIVHE-SRVKXCTJSA-N 2 0 294.399 -0.560 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001086552240 810279356 /nfs/dbraw/zinc/27/93/56/810279356.db2.gz ZLMNRZXPYOJWNS-YFKTTZPYSA-N 2 0 282.388 -0.704 20 0 CBADRP O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001086543393 810279497 /nfs/dbraw/zinc/27/94/97/810279497.db2.gz VXTAZVICYHJYAC-YDHLFZDLSA-N 2 0 281.400 -0.051 20 0 CBADRP C[NH+]1CCN(c2nccc(-n3ccnc3CC[NH3+])n2)CC1 ZINC001156483562 815361283 /nfs/dbraw/zinc/36/12/83/815361283.db2.gz RHGXZMZYLHNUEQ-UHFFFAOYSA-N 2 0 287.371 -0.085 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CCO)[C@@H]2C)CC[NH+]1C ZINC001088577285 810344410 /nfs/dbraw/zinc/34/44/10/810344410.db2.gz KSGWWJULVFUCLO-LPWJVIDDSA-N 2 0 269.389 -0.102 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](CCO)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001090390508 810487475 /nfs/dbraw/zinc/48/74/75/810487475.db2.gz HUDNCEYWCIRGPT-CHWSQXEVSA-N 2 0 297.399 -0.842 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001090390509 810488509 /nfs/dbraw/zinc/48/85/09/810488509.db2.gz HUDNCEYWCIRGPT-OLZOCXBDSA-N 2 0 297.399 -0.842 20 0 CBADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)[NH+]1CCCC1 ZINC001090490663 810508532 /nfs/dbraw/zinc/50/85/32/810508532.db2.gz SUCYSZXOGQHFNB-OLZOCXBDSA-N 2 0 299.415 -0.596 20 0 CBADRP CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090536207 810517025 /nfs/dbraw/zinc/51/70/25/810517025.db2.gz BXXKSCOECGDUOO-STQMWFEESA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@H]2O)CC1 ZINC001090539508 810519661 /nfs/dbraw/zinc/51/96/61/810519661.db2.gz YKLARNPZTKUAKN-ZIAGYGMSSA-N 2 0 299.415 -0.738 20 0 CBADRP CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090812226 810568842 /nfs/dbraw/zinc/56/88/42/810568842.db2.gz FXUSMVUSNYFALT-NWDGAFQWSA-N 2 0 255.362 -0.347 20 0 CBADRP CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090812225 810569247 /nfs/dbraw/zinc/56/92/47/810569247.db2.gz FXUSMVUSNYFALT-NEPJUHHUSA-N 2 0 255.362 -0.347 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001090957178 810582342 /nfs/dbraw/zinc/58/23/42/810582342.db2.gz YIWBXRAGOLWRLZ-VQXHTEKXSA-N 2 0 268.361 -0.950 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001091037536 810586770 /nfs/dbraw/zinc/58/67/70/810586770.db2.gz MOXJYQXVWGYNMS-HBIQZDMRSA-N 2 0 282.388 -0.704 20 0 CBADRP C[C@H](O)C[NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001091327136 810602536 /nfs/dbraw/zinc/60/25/36/810602536.db2.gz AFNVMSDSWYEFHH-HIFPTAJRSA-N 2 0 281.400 -0.053 20 0 CBADRP O=C(NCC1CC([NH2+]CCO)C1)C12CC[NH+](CC1)C2 ZINC001091327566 810602639 /nfs/dbraw/zinc/60/26/39/810602639.db2.gz RRBNVMDNMCVUHX-UHFFFAOYSA-N 2 0 267.373 -0.441 20 0 CBADRP C[NH+](C)C1(C)CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001160645716 815649995 /nfs/dbraw/zinc/64/99/95/815649995.db2.gz SVXGMYZTHGXOAY-NSHDSACASA-N 3 0 254.378 -0.524 20 0 CBADRP NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001095056038 810738343 /nfs/dbraw/zinc/73/83/43/810738343.db2.gz CYELSLVXWSUZQU-XQQFMLRXSA-N 2 0 294.399 -0.463 20 0 CBADRP COCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(C)CCO1)C2 ZINC001096914564 810790379 /nfs/dbraw/zinc/79/03/79/810790379.db2.gz YVFJWWYYKXVHIF-MQYQWHSLSA-N 2 0 297.399 -0.315 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH+](CCO)CCO)CC2)C1 ZINC001098560832 810851414 /nfs/dbraw/zinc/85/14/14/810851414.db2.gz CZEXXNBIZGNNQN-ZDUSSCGKSA-N 2 0 299.415 -0.784 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCO)C3)C1 ZINC001099161167 810865892 /nfs/dbraw/zinc/86/58/92/810865892.db2.gz ZBQSQQQHGJNOKI-IPYPFGDCSA-N 2 0 281.400 -0.099 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1cc2n(n1)CCCO2 ZINC001157082934 815403762 /nfs/dbraw/zinc/40/37/62/815403762.db2.gz QXFBHHIUBRUVSM-JTQLQIEISA-N 2 0 299.400 -0.699 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])Nc1cc2c(nn1)CC[NH2+]C2 ZINC001157096604 815404325 /nfs/dbraw/zinc/40/43/25/815404325.db2.gz KZOXZHDAMAOVGE-UHFFFAOYSA-N 3 0 263.349 -0.203 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CCO)C[C@H]1O ZINC001099898428 810961715 /nfs/dbraw/zinc/96/17/15/810961715.db2.gz BGNJIANNVCMGFU-VXGBXAGGSA-N 2 0 287.404 -0.740 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971861 810982826 /nfs/dbraw/zinc/98/28/26/810982826.db2.gz NLHSUZXFDCNPNT-QWHCGFSZSA-N 2 0 299.415 -0.474 20 0 CBADRP COCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986905 810985694 /nfs/dbraw/zinc/98/56/94/810985694.db2.gz REDPXZNCAPGSHP-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099988338 810986457 /nfs/dbraw/zinc/98/64/57/810986457.db2.gz HDUUTXDMSLKOIE-NWDGAFQWSA-N 2 0 257.378 -0.102 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CC)C[C@H]1O ZINC001100041772 811000435 /nfs/dbraw/zinc/00/04/35/811000435.db2.gz NZAGXPXCCKCXSV-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100050097 811005543 /nfs/dbraw/zinc/00/55/43/811005543.db2.gz BXHCDUGSJCXVQN-UONOGXRCSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCOC)C[C@H]1O ZINC001100064169 811010148 /nfs/dbraw/zinc/01/01/48/811010148.db2.gz JHFNJXVKUQLXSW-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCOC)C[C@H]1O ZINC001100064171 811010465 /nfs/dbraw/zinc/01/04/65/811010465.db2.gz JHFNJXVKUQLXSW-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001100077020 811014260 /nfs/dbraw/zinc/01/42/60/811014260.db2.gz WQQVYLZZPDMSGV-ZIAGYGMSSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100077241 811015099 /nfs/dbraw/zinc/01/50/99/811015099.db2.gz ZIRWYRLZZKQGAO-CHWSQXEVSA-N 2 0 287.404 -0.738 20 0 CBADRP CN(C)C(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001100185761 811034234 /nfs/dbraw/zinc/03/42/34/811034234.db2.gz NDYSOOIYFFKIEN-WXRRBKDZSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H]([NH2+]C1CC(CNC(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001100405735 811056137 /nfs/dbraw/zinc/05/61/37/811056137.db2.gz KVORFJCNBZOZLK-UNXYVOJBSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H]([NH2+]C1CC(CNC(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC001100410696 811056535 /nfs/dbraw/zinc/05/65/35/811056535.db2.gz ITPHIHPJOXGWTJ-UNXYVOJBSA-N 2 0 296.415 -0.171 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]CC(=O)NC)C1 ZINC001100458998 811058604 /nfs/dbraw/zinc/05/86/04/811058604.db2.gz PPKGQNBCGFIQQE-UHFFFAOYSA-N 2 0 298.431 -0.053 20 0 CBADRP CCNC(=O)C[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100620056 811066019 /nfs/dbraw/zinc/06/60/19/811066019.db2.gz UGOMDORVNONBMI-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637103 811069081 /nfs/dbraw/zinc/06/90/81/811069081.db2.gz BYAZBOGGUZKORA-UNXYVOJBSA-N 2 0 284.404 -0.443 20 0 CBADRP COC[C@H](O)C[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637318 811070288 /nfs/dbraw/zinc/07/02/88/811070288.db2.gz MPOXCTYWDAOXIC-WXRRBKDZSA-N 2 0 287.404 -0.570 20 0 CBADRP Cn1cc(C[NH2+]C2CC(CNC(=O)CC[NH+](C)C)C2)nn1 ZINC001100637349 811070369 /nfs/dbraw/zinc/07/03/69/811070369.db2.gz OFUNNKFALYYBPT-UHFFFAOYSA-N 2 0 294.403 -0.249 20 0 CBADRP COC[C@@H](O)C[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637317 811070491 /nfs/dbraw/zinc/07/04/91/811070491.db2.gz MPOXCTYWDAOXIC-BPCQOVAHSA-N 2 0 287.404 -0.570 20 0 CBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001100678338 811071476 /nfs/dbraw/zinc/07/14/76/811071476.db2.gz HQJDWVLEDAJRRV-HIFPTAJRSA-N 2 0 296.415 -0.441 20 0 CBADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+][C@@H](C)C(=O)NC)C1 ZINC001100770975 811078965 /nfs/dbraw/zinc/07/89/65/811078965.db2.gz SIDFRRVVSZRIOV-HIFPTAJRSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+][C@H](C)C(N)=O)C1 ZINC001100827786 811080947 /nfs/dbraw/zinc/08/09/47/811080947.db2.gz UBMCPFZKJSEVPQ-VOMCLLRMSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001100829610 811081618 /nfs/dbraw/zinc/08/16/18/811081618.db2.gz CMTUPHCMXPKOPS-WXRRBKDZSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](O)C[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100870611 811083960 /nfs/dbraw/zinc/08/39/60/811083960.db2.gz KFBRNWDQMCLSRR-HIFPTAJRSA-N 2 0 287.404 -0.570 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+]CC(=O)NC)C1 ZINC001100896902 811084450 /nfs/dbraw/zinc/08/44/50/811084450.db2.gz QUZDNJQXUBRPNF-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001100981103 811089049 /nfs/dbraw/zinc/08/90/49/811089049.db2.gz VRCABLAWNXJLEG-MOENNCHZSA-N 2 0 282.388 -0.832 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1CC([NH2+]CCO)C1 ZINC001100989356 811089239 /nfs/dbraw/zinc/08/92/39/811089239.db2.gz VHGGCGNXOVYKFW-IYXRBSQSSA-N 2 0 299.415 -0.569 20 0 CBADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101350871 811104147 /nfs/dbraw/zinc/10/41/47/811104147.db2.gz IAIQXBAHWLBFAN-DOMZBBRYSA-N 2 0 296.415 -0.536 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001157324108 815424316 /nfs/dbraw/zinc/42/43/16/815424316.db2.gz RKRMUFKNRPNAQR-GUBZILKMSA-N 2 0 256.350 -0.917 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC001157335085 815424350 /nfs/dbraw/zinc/42/43/50/815424350.db2.gz CZDJOEGZLOHCNE-GXFFZTMASA-N 2 0 270.377 -0.512 20 0 CBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102513941 811159478 /nfs/dbraw/zinc/15/94/78/811159478.db2.gz HDJBHAAGSGLBOB-JHJVBQTASA-N 2 0 296.415 -0.502 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@H]1C ZINC001102600344 811161393 /nfs/dbraw/zinc/16/13/93/811161393.db2.gz AELQBXKFFWOZEA-JHJVBQTASA-N 2 0 298.431 -0.116 20 0 CBADRP CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C)[NH+](C)C ZINC001103445149 811183346 /nfs/dbraw/zinc/18/33/46/811183346.db2.gz ZZGSFFLBOQJOSR-UPJWGTAASA-N 2 0 298.431 -0.114 20 0 CBADRP Cc1cc(N(C(=N)N)C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)n[nH]1 ZINC001157439704 815433910 /nfs/dbraw/zinc/43/39/10/815433910.db2.gz MIYOOOYFIMKEMD-SNVBAGLBSA-N 2 0 279.348 -0.729 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCO ZINC001105945274 811281686 /nfs/dbraw/zinc/28/16/86/811281686.db2.gz RSPPWVLTTYQWDO-JHJVBQTASA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CC(N)=O ZINC001106323088 811303957 /nfs/dbraw/zinc/30/39/57/811303957.db2.gz XQOFHYXOBLNKPC-UPJWGTAASA-N 2 0 296.415 -0.360 20 0 CBADRP CN1CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1=O ZINC001157484942 815437606 /nfs/dbraw/zinc/43/76/06/815437606.db2.gz IHGJBXRPVPTPJO-JTQLQIEISA-N 2 0 256.350 -0.867 20 0 CBADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106621328 811311756 /nfs/dbraw/zinc/31/17/56/811311756.db2.gz FRBUMYNZKPTRFP-DGCLKSJQSA-N 2 0 296.415 -0.502 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106622594 811311884 /nfs/dbraw/zinc/31/18/84/811311884.db2.gz GVXKMXVYEUUHMC-CHWSQXEVSA-N 2 0 298.431 -0.242 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1 ZINC001106905706 811318458 /nfs/dbraw/zinc/31/84/58/811318458.db2.gz DNGHQVMQZOXXDM-CHWSQXEVSA-N 2 0 298.431 -0.242 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107038932 811322567 /nfs/dbraw/zinc/32/25/67/811322567.db2.gz HJHZWNVPWSAUQN-CHWSQXEVSA-N 2 0 298.431 -0.243 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C[C@H]1F ZINC001157536498 815442177 /nfs/dbraw/zinc/44/21/77/815442177.db2.gz NYXBMFUMDRAGLH-LPWJVIDDSA-N 2 0 284.379 -0.432 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@H]2C[C@H]3C[NH2+]CC[C@@H]3O2)C[C@H]1F ZINC001157536454 815442776 /nfs/dbraw/zinc/44/27/76/815442776.db2.gz NDXIVMOSYGCNDQ-HPENLJRUSA-N 2 0 257.309 -0.739 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157536258 815442863 /nfs/dbraw/zinc/44/28/63/815442863.db2.gz JUHMCGLYHDHIHF-VLEAKVRGSA-N 2 0 288.367 -0.628 20 0 CBADRP CC1([NH3+])CN(C(=O)CC[NH+]2CCC(C(N)=O)CC2)C1 ZINC001157633845 815449415 /nfs/dbraw/zinc/44/94/15/815449415.db2.gz RAHYOUQICYFMOT-UHFFFAOYSA-N 2 0 268.361 -0.867 20 0 CBADRP [NH3+][C@H]1CN(C(=O)C[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)C[C@H]1F ZINC001157537039 815443916 /nfs/dbraw/zinc/44/39/16/815443916.db2.gz TUENPKWXPMIWDU-JCIQBVFBSA-N 2 0 271.336 -0.491 20 0 CBADRP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157538461 815443992 /nfs/dbraw/zinc/44/39/92/815443992.db2.gz MKCCHEUBWQDCCA-WOPDTQHZSA-N 2 0 291.330 -0.060 20 0 CBADRP CC(C)[NH+]1CCN(CC(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)CC1 ZINC001157537071 815444016 /nfs/dbraw/zinc/44/40/16/815444016.db2.gz VBGUZOODWAXNAB-NEPJUHHUSA-N 2 0 272.368 -0.480 20 0 CBADRP [NH3+][C@H]1CN(C(=O)c2cncc3c2CC[NH2+]C3)C[C@H]1F ZINC001157560655 815446179 /nfs/dbraw/zinc/44/61/79/815446179.db2.gz XINDWHXJRARDCG-NEPJUHHUSA-N 2 0 264.304 -0.152 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@H]2Cn3ccnc3C23CC[NH2+]CC3)C1 ZINC001157629842 815449558 /nfs/dbraw/zinc/44/95/58/815449558.db2.gz VJTBZYPYNXMIIA-LLVKDONJSA-N 2 0 289.383 -0.306 20 0 CBADRP COC(=O)[C@@H]1C[C@H](C(=O)N2CC(C)([NH3+])C2)CCN1 ZINC001157644690 815450301 /nfs/dbraw/zinc/45/03/01/815450301.db2.gz VSZXOARXVOQLSF-BDAKNGLRSA-N 2 0 255.318 -0.913 20 0 CBADRP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC(C)([NH3+])C2)C1 ZINC001157651699 815450618 /nfs/dbraw/zinc/45/06/18/815450618.db2.gz QTDQDKOIBBAALH-VIFPVBQESA-N 2 0 255.318 -0.959 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@@H]([NH3+])C2CCC3(CC2)OCCO3)C1 ZINC001157651929 815450742 /nfs/dbraw/zinc/45/07/42/815450742.db2.gz SNZAQYGCTJGCED-NSHDSACASA-N 2 0 283.372 -0.193 20 0 CBADRP C[NH+](C)C1CN(C(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)C1 ZINC001157688237 815452512 /nfs/dbraw/zinc/45/25/12/815452512.db2.gz ALYTXWNDXXCEOM-STQMWFEESA-N 2 0 280.416 -0.167 20 0 CBADRP C[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109978988 811505664 /nfs/dbraw/zinc/50/56/64/811505664.db2.gz OFDRQHNCMSIRQO-MQYQWHSLSA-N 2 0 299.415 -0.333 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001157716131 815455538 /nfs/dbraw/zinc/45/55/38/815455538.db2.gz LAPRPZQKPWIMNC-QWHCGFSZSA-N 3 0 296.415 -0.693 20 0 CBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC001157715829 815455199 /nfs/dbraw/zinc/45/51/99/815455199.db2.gz IQTXHSZJUSFRAC-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)c1ccc([C@H](N)C[NH3+])cc1 ZINC001157720229 815456571 /nfs/dbraw/zinc/45/65/71/815456571.db2.gz DBAWKQPSJUEPRR-UONOGXRCSA-N 2 0 292.383 -0.295 20 0 CBADRP COC(=O)[C@@]1(F)CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001157717008 815456866 /nfs/dbraw/zinc/45/68/66/815456866.db2.gz WCMKOTWKBZEPMI-GXFFZTMASA-N 2 0 287.335 -0.573 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001157717348 815456946 /nfs/dbraw/zinc/45/69/46/815456946.db2.gz ZRWYLDSOCNHLEN-DCAQKATOSA-N 2 0 259.325 -0.477 20 0 CBADRP [NH3+]CCOCCOCC(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157748760 815461607 /nfs/dbraw/zinc/46/16/07/815461607.db2.gz XZSFUQAXGLEMPE-CYBMUJFWSA-N 2 0 291.367 -0.342 20 0 CBADRP [NH3+][C@H](C(=O)N1CC(F)(F)CC[C@@H]1CO)C1CC[NH2+]CC1 ZINC001157730027 815457911 /nfs/dbraw/zinc/45/79/11/815457911.db2.gz GXSDIOAOENRDAG-MNOVXSKESA-N 2 0 291.342 -0.068 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@H]([NH3+])Cc2cnc[nH]2)CC1 ZINC001157730814 815459452 /nfs/dbraw/zinc/45/94/52/815459452.db2.gz PLCHXSABUUALTN-DGCLKSJQSA-N 2 0 283.351 -0.041 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@@H](F)C(=O)C1 ZINC001157730734 815459809 /nfs/dbraw/zinc/45/98/09/815459809.db2.gz RPBJMZYLGNAOTE-VHSXEESVSA-N 2 0 269.320 -0.675 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157748800 815461297 /nfs/dbraw/zinc/46/12/97/815461297.db2.gz YTYATSXMHPEDPU-DJHSXXLPSA-N 2 0 293.408 -0.238 20 0 CBADRP [NH3+]CCOCCOCC(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157748761 815461349 /nfs/dbraw/zinc/46/13/49/815461349.db2.gz XZSFUQAXGLEMPE-ZDUSSCGKSA-N 2 0 291.367 -0.342 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001157746264 815461445 /nfs/dbraw/zinc/46/14/45/815461445.db2.gz OTHJJTKDHGDQQL-TZMCWYRMSA-N 3 0 286.395 -0.007 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@](F)(C(=O)OC)C1 ZINC001157716458 815455633 /nfs/dbraw/zinc/45/56/33/815455633.db2.gz NRLSSCZEXPYVMK-GXFFZTMASA-N 2 0 289.351 -0.183 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@](O)(CF)CC1 ZINC001157782274 815466222 /nfs/dbraw/zinc/46/62/22/815466222.db2.gz XZYKFPLANCKVED-SMDDNHRTSA-N 2 0 285.363 -0.492 20 0 CBADRP COC(=O)[C@H]1C[C@H](C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)CCN1 ZINC001157798447 815466893 /nfs/dbraw/zinc/46/68/93/815466893.db2.gz BCDNSCDDLOMGFI-WISYIIOYSA-N 2 0 283.372 -0.277 20 0 CBADRP COC(=O)[C@H]1C[C@@H](C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)CCN1 ZINC001157798434 815466993 /nfs/dbraw/zinc/46/69/93/815466993.db2.gz BCDNSCDDLOMGFI-NOOOWODRSA-N 2 0 283.372 -0.277 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@H]2C[C@H]3C[NH2+]CC[C@@H]3O2)C[C@@H]1[NH3+] ZINC001157799610 815468307 /nfs/dbraw/zinc/46/83/07/815468307.db2.gz OKFVENSKNBHCHP-QNWJLWSRSA-N 2 0 267.373 -0.051 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157755889 815463310 /nfs/dbraw/zinc/46/33/10/815463310.db2.gz UFRPEODYPZLVDG-OCCSQVGLSA-N 2 0 286.395 -0.088 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCN2C)C[C@@H]1[NH3+] ZINC001157810385 815469327 /nfs/dbraw/zinc/46/93/27/815469327.db2.gz NBUJJKUFRXRUKR-WOPDTQHZSA-N 2 0 254.378 -0.572 20 0 CBADRP CC(=O)CN(C)C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001157863003 815474701 /nfs/dbraw/zinc/47/47/01/815474701.db2.gz OXPSPBOMAQEBOB-LLVKDONJSA-N 2 0 253.346 -0.092 20 0 CBADRP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)C1 ZINC001157810763 815469772 /nfs/dbraw/zinc/46/97/72/815469772.db2.gz URHJEDOWNZCOCL-WOPDTQHZSA-N 2 0 283.372 -0.323 20 0 CBADRP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001157844997 815470344 /nfs/dbraw/zinc/47/03/44/815470344.db2.gz ZFHRVCIQQQRTGV-MNXVOIDGSA-N 2 0 267.373 -0.192 20 0 CBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001157844304 815470592 /nfs/dbraw/zinc/47/05/92/815470592.db2.gz VWXOMMRBBJAHRM-SCVCMEIPSA-N 2 0 265.361 -0.135 20 0 CBADRP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001157842059 815470804 /nfs/dbraw/zinc/47/08/04/815470804.db2.gz IXKMOKSAHKPGFM-PJSNJIKXSA-N 2 0 266.389 -0.478 20 0 CBADRP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157843253 815470933 /nfs/dbraw/zinc/47/09/33/815470933.db2.gz PUOHJXIWIHWWCT-KYEXWDHISA-N 3 0 280.416 -0.229 20 0 CBADRP C[C@H]1C[C@@H](CO)N(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001157853599 815471875 /nfs/dbraw/zinc/47/18/75/815471875.db2.gz HRFHDOAFKLCNGX-GARJFASQSA-N 2 0 253.346 -0.975 20 0 CBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157850335 815471959 /nfs/dbraw/zinc/47/19/59/815471959.db2.gz XXIBJIJQEIMVGP-BZPMIXESSA-N 3 0 297.447 -0.677 20 0 CBADRP O=C(N1CCCC(=O)[C@H](F)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157854485 815473510 /nfs/dbraw/zinc/47/35/10/815473510.db2.gz FLSNWMXGRGFKBF-JTNHKYCSSA-N 2 0 283.347 -0.285 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCCC(=O)[C@H](F)C1 ZINC001157856990 815474760 /nfs/dbraw/zinc/47/47/60/815474760.db2.gz YPOQBTCQPWNMOO-NXEZZACHSA-N 2 0 269.320 -0.675 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001157887186 815476529 /nfs/dbraw/zinc/47/65/29/815476529.db2.gz SCKIZSVLVGQYSA-RYUDHWBXSA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001157887867 815477144 /nfs/dbraw/zinc/47/71/44/815477144.db2.gz ZGGHVSUPJYPAFX-LLVKDONJSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@]1(O)CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@@H]1F ZINC001157901029 815478748 /nfs/dbraw/zinc/47/87/48/815478748.db2.gz VPSIKFZXINUVNF-ATZCPNFKSA-N 2 0 279.381 -0.673 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157902394 815479459 /nfs/dbraw/zinc/47/94/59/815479459.db2.gz APOIPQKKVIUQAV-SDDRHHMPSA-N 2 0 273.377 -0.966 20 0 CBADRP COC[C@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157922443 815482990 /nfs/dbraw/zinc/48/29/90/815482990.db2.gz ODGUJKNOXMPJTK-NEPJUHHUSA-N 2 0 267.373 -0.177 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2[nH]cnc2C1 ZINC001157922557 815483247 /nfs/dbraw/zinc/48/32/47/815483247.db2.gz RBGIZNJBFWZGGD-NSHDSACASA-N 2 0 292.387 -0.955 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157970968 815493042 /nfs/dbraw/zinc/49/30/42/815493042.db2.gz UJODGUYVTUTDAK-MELADBBJSA-N 2 0 275.352 -0.118 20 0 CBADRP O=C(N1CCNCC(F)(F)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157937023 815488623 /nfs/dbraw/zinc/48/86/23/815488623.db2.gz NGYOUIVQCGSEMT-ZYHUDNBSSA-N 2 0 288.342 -0.747 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCNCC(F)(F)C1 ZINC001157937364 815488654 /nfs/dbraw/zinc/48/86/54/815488654.db2.gz SONKMCURKKBJTB-MRVPVSSYSA-N 2 0 250.293 -0.880 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCc2n[nH]cc2C1 ZINC001157988542 815495515 /nfs/dbraw/zinc/49/55/15/815495515.db2.gz FVFZFQGVUMIOSM-JTQLQIEISA-N 2 0 261.329 -0.897 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2n[nH]cc2C1 ZINC001157988295 815495897 /nfs/dbraw/zinc/49/58/97/815495897.db2.gz CRKQOZPVQGVDPL-LBPRGKRZSA-N 2 0 292.387 -0.955 20 0 CBADRP [NH3+][C@H](C(=O)N1CCc2n[nH]cc2C1)C1CC[NH2+]CC1 ZINC001157989754 815496077 /nfs/dbraw/zinc/49/60/77/815496077.db2.gz SBJWATZSIOMJGA-LBPRGKRZSA-N 2 0 263.345 -0.379 20 0 CBADRP C[C@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[C@@H]1O ZINC001157998313 815496683 /nfs/dbraw/zinc/49/66/83/815496683.db2.gz WCQCPTATFJONSL-SRVKXCTJSA-N 2 0 267.373 -0.300 20 0 CBADRP NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158036860 815500453 /nfs/dbraw/zinc/50/04/53/815500453.db2.gz FQNJDBXYOLAIFT-RYUDHWBXSA-N 2 0 282.388 -0.558 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070862 815500573 /nfs/dbraw/zinc/50/05/73/815500573.db2.gz PKSFBQDPRXOMML-UHFFFAOYSA-N 2 0 296.415 -0.691 20 0 CBADRP NC1(C(=O)N2CCC3(CC([NH3+])C3)CC2)CC[NH2+]CC1 ZINC001158082389 815502703 /nfs/dbraw/zinc/50/27/03/815502703.db2.gz PDPGQFQSHIGSDL-UHFFFAOYSA-N 2 0 266.389 -0.203 20 0 CBADRP NC1(C(=O)N2CCC3(CCC[NH2+]3)CC2)CC[NH2+]CC1 ZINC001158168960 815508146 /nfs/dbraw/zinc/50/81/46/815508146.db2.gz KQQYEYGMRKDWCN-UHFFFAOYSA-N 2 0 266.389 -0.188 20 0 CBADRP N[C@]1(C(=O)N2CCC3(CCC[NH2+]3)CC2)CC[NH2+]C1 ZINC001158169355 815508168 /nfs/dbraw/zinc/50/81/68/815508168.db2.gz PLJFXAXBQLLZFV-CYBMUJFWSA-N 2 0 252.362 -0.578 20 0 CBADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102357 815504304 /nfs/dbraw/zinc/50/43/04/815504304.db2.gz QFIHCAWBVFFCRN-QMTHXVAHSA-N 2 0 282.388 -0.560 20 0 CBADRP [NH3+]Cc1cccc(C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)c1 ZINC001158109836 815504903 /nfs/dbraw/zinc/50/49/03/815504903.db2.gz DUDGOYMOEZIWAW-HNNXBMFYSA-N 2 0 288.351 -0.551 20 0 CBADRP [NH3+]Cc1cccc(C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)c1 ZINC001158109837 815505029 /nfs/dbraw/zinc/50/50/29/815505029.db2.gz DUDGOYMOEZIWAW-OAHLLOKOSA-N 2 0 288.351 -0.551 20 0 CBADRP O=C([C@H]1CO[C@@H]2C[NH2+]C[C@H]12)N1CCC[C@]12CCC[NH2+]C2 ZINC001158162087 815506826 /nfs/dbraw/zinc/50/68/26/815506826.db2.gz VBKMUQHIDWOCCK-COMQUAJESA-N 2 0 279.384 -0.035 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778025 812159488 /nfs/dbraw/zinc/15/94/88/812159488.db2.gz DASQHGQDUZUKBD-XZUYRWCXSA-N 2 0 282.388 -0.752 20 0 CBADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114779042 812160090 /nfs/dbraw/zinc/16/00/90/812160090.db2.gz WGMAMGGMFBENRD-NMKXLXIOSA-N 2 0 296.415 -0.539 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161851 815506915 /nfs/dbraw/zinc/50/69/15/815506915.db2.gz RKNJYBZABKNJKI-BLWXERESSA-N 2 0 287.429 -0.173 20 0 CBADRP O=C([C@H]1[NH2+]CC[C@H]1O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158160944 815507163 /nfs/dbraw/zinc/50/71/63/815507163.db2.gz MHQHSQRIPNXJAX-MDZLAQPJSA-N 2 0 253.346 -0.546 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)COC)C[C@H]21)[NH+](C)C ZINC001114849045 812164327 /nfs/dbraw/zinc/16/43/27/812164327.db2.gz JUVFAJCFWBFBLH-PDWCTOEPSA-N 2 0 299.415 -0.620 20 0 CBADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158159566 815507188 /nfs/dbraw/zinc/50/71/88/815507188.db2.gz DRELJSHACXFZPY-NTZNESFSSA-N 2 0 253.346 -0.689 20 0 CBADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158159565 815507404 /nfs/dbraw/zinc/50/74/04/815507404.db2.gz DRELJSHACXFZPY-NQBHXWOUSA-N 2 0 253.346 -0.689 20 0 CBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161367 815507571 /nfs/dbraw/zinc/50/75/71/815507571.db2.gz UXIBMZJDVRKAOI-RISCZKNCSA-N 2 0 297.403 -0.493 20 0 CBADRP O=C(N1CCC[C@]12CCC[NH2+]C2)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001158159488 815507600 /nfs/dbraw/zinc/50/76/00/815507600.db2.gz CJQCAPRFLVGQAG-SNPRPXQTSA-N 2 0 278.400 -0.318 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168585 815507878 /nfs/dbraw/zinc/50/78/78/815507878.db2.gz INGVGKLGYRGWBF-QWRGUYRKSA-N 2 0 253.346 -0.546 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](O)COC)C[C@H]21 ZINC001115080704 812177989 /nfs/dbraw/zinc/17/79/89/812177989.db2.gz CPOYJYHLMKJEOR-CXTNEJHOSA-N 2 0 299.415 -0.618 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158196071 815512034 /nfs/dbraw/zinc/51/20/34/815512034.db2.gz IXWIIOXVWHBEMT-ZIAGYGMSSA-N 2 0 299.415 -0.569 20 0 CBADRP COC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126407 812180216 /nfs/dbraw/zinc/18/02/16/812180216.db2.gz NGIJMCFHYZIRJQ-RMRHIDDWSA-N 2 0 299.415 -0.354 20 0 CBADRP CO[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115127058 812180393 /nfs/dbraw/zinc/18/03/93/812180393.db2.gz ZZYYNNWLXSTINH-RMRHIDDWSA-N 2 0 299.415 -0.354 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](O)COC)C[C@H]21 ZINC001115160042 812183296 /nfs/dbraw/zinc/18/32/96/812183296.db2.gz NYZBVGGNPULLQF-CXTNEJHOSA-N 2 0 299.415 -0.618 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+]([C@H](CC)C(N)=O)C[C@H]21 ZINC001115161327 812183479 /nfs/dbraw/zinc/18/34/79/812183479.db2.gz CSYDOEODSPQMRQ-CZXHOFHRSA-N 2 0 296.415 -0.362 20 0 CBADRP COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241846 812187144 /nfs/dbraw/zinc/18/71/44/812187144.db2.gz PPUBVMSTCFDQOI-CXTNEJHOSA-N 2 0 297.399 -0.864 20 0 CBADRP O=C([C@@H]1CNC(=O)C12CC[NH2+]CC2)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199196 815512784 /nfs/dbraw/zinc/51/27/84/815512784.db2.gz PDVVUKUYXYKJRW-SDDRHHMPSA-N 2 0 292.383 -0.935 20 0 CBADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001115292777 812189499 /nfs/dbraw/zinc/18/94/99/812189499.db2.gz VGQGFALCXPZJSR-NHAGDIPZSA-N 2 0 281.400 -0.099 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21 ZINC001115300388 812189675 /nfs/dbraw/zinc/18/96/75/812189675.db2.gz QVCCDFVMJAQZCW-IMRBUKKESA-N 2 0 269.389 -0.245 20 0 CBADRP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001115304192 812190370 /nfs/dbraw/zinc/19/03/70/812190370.db2.gz PFAJCTCHGVEXND-CIQGVGRVSA-N 2 0 269.389 -0.246 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)N(C)C)C[C@H]21 ZINC001115303766 812190425 /nfs/dbraw/zinc/19/04/25/812190425.db2.gz JOKPEBMNKZIZDF-JYAVWHMHSA-N 2 0 296.415 -0.539 20 0 CBADRP COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115304494 812190551 /nfs/dbraw/zinc/19/05/51/812190551.db2.gz RUZZRBFOLKLZDP-CXTNEJHOSA-N 2 0 299.415 -0.620 20 0 CBADRP Cc1cnc(-n2cncc2C[C@@H]([NH3+])CO)nc1C1C[NH2+]C1 ZINC001158209315 815513685 /nfs/dbraw/zinc/51/36/85/815513685.db2.gz QLQYYLISCGZJDT-LLVKDONJSA-N 2 0 288.355 -0.480 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158207751 815513824 /nfs/dbraw/zinc/51/38/24/815513824.db2.gz COYVPUQLUBMNMM-YFKTTZPYSA-N 2 0 280.372 -0.713 20 0 CBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158208807 815513830 /nfs/dbraw/zinc/51/38/30/815513830.db2.gz YETWHMIGGXLTDO-GARJFASQSA-N 2 0 286.401 -0.897 20 0 CBADRP O=C([C@H]1C[NH2+]CCN1)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168100 815508460 /nfs/dbraw/zinc/50/84/60/815508460.db2.gz BMWIGHWVLZXVCM-LLVKDONJSA-N 2 0 252.362 -0.708 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167932 815508556 /nfs/dbraw/zinc/50/85/56/815508556.db2.gz PIOJBQGSSYVBEW-UMSGYPCISA-N 2 0 267.373 -0.179 20 0 CBADRP O=C([C@@H]1CC[NH2+]C[C@@H]1F)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158178718 815509700 /nfs/dbraw/zinc/50/97/00/815509700.db2.gz AUMFVHKMGQMCDX-WISYIIOYSA-N 2 0 271.336 -0.619 20 0 CBADRP O=C(NCCC[NH2+][C@H]1CCNC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158197359 815511291 /nfs/dbraw/zinc/51/12/91/815511291.db2.gz XIWCKDWTQOYBTJ-OLZOCXBDSA-N 2 0 294.399 -0.687 20 0 CBADRP [NH3+][C@H](C(=O)N1CC2(C1)CCCO2)C1CC[NH2+]CC1 ZINC001158239701 815516267 /nfs/dbraw/zinc/51/62/67/815516267.db2.gz GYSODKBWEQFFDW-NSHDSACASA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+]C1(C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)CC1 ZINC001158260476 815517017 /nfs/dbraw/zinc/51/70/17/815517017.db2.gz DDOWPCHTGNRTCR-UHFFFAOYSA-N 2 0 276.344 -0.810 20 0 CBADRP [NH3+]Cc1cc(N2CCC(N3CC[C@@H]([NH3+])C3)CC2)ncn1 ZINC001158259289 815517398 /nfs/dbraw/zinc/51/73/98/815517398.db2.gz PYDSEZQTDJRHNM-LLVKDONJSA-N 2 0 276.388 -0.063 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305021 815518085 /nfs/dbraw/zinc/51/80/85/815518085.db2.gz ALNKOEZCLGHUGT-SDDRHHMPSA-N 3 0 254.378 -0.347 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305721 815519086 /nfs/dbraw/zinc/51/90/86/815519086.db2.gz KRXZNGNTCQYFRM-KQXIARHKSA-N 2 0 282.388 -0.704 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001158319494 815519467 /nfs/dbraw/zinc/51/94/67/815519467.db2.gz HNURMHCXFQMKNW-VGMNWLOBSA-N 2 0 295.355 -0.502 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC001158313984 815519886 /nfs/dbraw/zinc/51/98/86/815519886.db2.gz LNYRBHQGBREMNQ-UMNHJUIQSA-N 2 0 252.362 -0.785 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@H]2CCNC2=O)CC[N@@H+]1C ZINC001158403490 815526865 /nfs/dbraw/zinc/52/68/65/815526865.db2.gz IYILZGREXDBHFD-RWMBFGLXSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(N)=O)CC[N@@H+]1C ZINC001158403213 815527172 /nfs/dbraw/zinc/52/71/72/815527172.db2.gz BGUVEDIYQJDUBI-SDDRHHMPSA-N 2 0 284.404 -0.314 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158404146 815527292 /nfs/dbraw/zinc/52/72/92/815527292.db2.gz QULQGEBHMAYDHR-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC001118035052 812464018 /nfs/dbraw/zinc/46/40/18/812464018.db2.gz LCDJMAYTMFTOLM-WDEREUQCSA-N 2 0 284.404 -0.171 20 0 CBADRP [NH3+]Cc1cnnn1-c1nccc(N2CCC([NH3+])CC2)n1 ZINC001158423638 815527933 /nfs/dbraw/zinc/52/79/33/815527933.db2.gz WFRNZUSQEUDQNC-UHFFFAOYSA-N 2 0 274.332 -0.557 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158422339 815528299 /nfs/dbraw/zinc/52/82/99/815528299.db2.gz KGNDHURDEJXGAD-CYDGBPFRSA-N 2 0 296.415 -0.173 20 0 CBADRP [NH3+]Cc1cnnn1-c1nccc(C2CC[NH2+]CC2)n1 ZINC001158423267 815528508 /nfs/dbraw/zinc/52/85/08/815528508.db2.gz PXTRLWXELONIBA-UHFFFAOYSA-N 2 0 259.317 -0.017 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC(OCCC[NH3+])CC1 ZINC001118140286 812478090 /nfs/dbraw/zinc/47/80/90/812478090.db2.gz LIFTYDOUJDXURG-NSHDSACASA-N 2 0 287.360 -0.767 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC001118140648 812478040 /nfs/dbraw/zinc/47/80/40/812478040.db2.gz GZGPUZCMCPHUFC-BDAKNGLRSA-N 2 0 251.334 -0.094 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC001118140659 812478104 /nfs/dbraw/zinc/47/81/04/812478104.db2.gz GZGPUZCMCPHUFC-RKDXNWHRSA-N 2 0 251.334 -0.094 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158422092 815528536 /nfs/dbraw/zinc/52/85/36/815528536.db2.gz HUVMLLOZXYGBIF-HZLNVJGASA-N 2 0 259.375 -0.955 20 0 CBADRP CN1CC[NH+](CCCC[NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001118148823 812479743 /nfs/dbraw/zinc/47/97/43/812479743.db2.gz XKPOJLSHWNLABI-HNNXBMFYSA-N 2 0 295.431 -0.139 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C2CC(F)(F)C2)CC1 ZINC001118155737 812480542 /nfs/dbraw/zinc/48/05/42/812480542.db2.gz NBJXDWDPPINKHG-LLVKDONJSA-N 2 0 263.332 -0.018 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2cn[nH]c2)CC1 ZINC001118156021 812481001 /nfs/dbraw/zinc/48/10/01/812481001.db2.gz PLLPVEVORZTXPZ-ZDUSSCGKSA-N 2 0 267.377 -0.850 20 0 CBADRP CC[C@]1(C(=O)NC[C@H]2C[NH2+]CCCO2)CC[NH2+]C1 ZINC001118161654 812482228 /nfs/dbraw/zinc/48/22/28/812482228.db2.gz CPVCOQSVVFVCQK-YPMHNXCESA-N 2 0 255.362 -0.129 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1CC(=O)N1CC[NH2+]CC1 ZINC001118197801 812491289 /nfs/dbraw/zinc/49/12/89/812491289.db2.gz CRAXHKDMMURXCE-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP C[NH2+]C1CCN(C(=O)C2(OC)CC[NH2+]CC2)CC1 ZINC001118197936 812491418 /nfs/dbraw/zinc/49/14/18/812491418.db2.gz YIBJPFVAKJGXBK-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH+]1CCN(c2nccc(-n3nncc3C[NH3+])n2)CC1 ZINC001158427535 815529512 /nfs/dbraw/zinc/52/95/12/815529512.db2.gz AJARFGSBZZFKCK-UHFFFAOYSA-N 2 0 274.332 -0.732 20 0 CBADRP O=C(NCCC[NH+]1CCC(O)CC1)C1CC[NH2+]CC1 ZINC001118200610 812493642 /nfs/dbraw/zinc/49/36/42/812493642.db2.gz MXFDCAXSKXKPTI-UHFFFAOYSA-N 2 0 269.389 -0.051 20 0 CBADRP [NH3+]CCOCC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC001118205701 812496592 /nfs/dbraw/zinc/49/65/92/812496592.db2.gz OAQPOOHNEYHNFG-UHFFFAOYSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC001118205450 812496733 /nfs/dbraw/zinc/49/67/33/812496733.db2.gz JAUNTDOVMDCLLD-VWYCJHECSA-N 2 0 268.361 -0.950 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)c2cn(CCCC[NH3+])nn2)CC[NH2+]1 ZINC001118211435 812498189 /nfs/dbraw/zinc/49/81/89/812498189.db2.gz IIHBQDICNQGPOX-QWRGUYRKSA-N 2 0 280.376 -0.113 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC001118225731 812500609 /nfs/dbraw/zinc/50/06/09/812500609.db2.gz AAKVNRDMIATQCM-WDEREUQCSA-N 2 0 255.362 -0.001 20 0 CBADRP NC(=O)NC(=O)CC[NH2+]CCC[NH+]1CCC(O)CC1 ZINC001118241742 812504099 /nfs/dbraw/zinc/50/40/99/812504099.db2.gz MKIUBBPFOQXYLK-UHFFFAOYSA-N 2 0 272.349 -0.992 20 0 CBADRP COCCOC[C@H]1CC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC001118260647 812510006 /nfs/dbraw/zinc/51/00/06/812510006.db2.gz DNEPSUZUPFPBBX-AWEZNQCLSA-N 2 0 271.405 -0.124 20 0 CBADRP NC(=O)COC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001118257556 812510432 /nfs/dbraw/zinc/51/04/32/812510432.db2.gz GOLFEHDPHRAJEX-UHFFFAOYSA-N 2 0 255.362 -0.048 20 0 CBADRP Cn1nc2c(cc1=O)C[N@@H+](CCOCC[NH3+])CC2 ZINC001118261553 812511212 /nfs/dbraw/zinc/51/12/12/812511212.db2.gz XXLFBFJBTINNTG-UHFFFAOYSA-N 2 0 252.318 -0.886 20 0 CBADRP CC[C@@H]1CN(CC(=O)N2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC001118264235 812511237 /nfs/dbraw/zinc/51/12/37/812511237.db2.gz ZCCSJNMVHUGWAC-VXGBXAGGSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)CN(CC[NH3+])Cc1ccccc1 ZINC001118266039 812512139 /nfs/dbraw/zinc/51/21/39/812512139.db2.gz KAZWFSTVUKPWHL-LBPRGKRZSA-N 2 0 264.373 -0.089 20 0 CBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[NH3+])CC1 ZINC001118286860 812519978 /nfs/dbraw/zinc/51/99/78/812519978.db2.gz KWDBASSTEUNKFX-UHFFFAOYSA-N 2 0 256.350 -0.996 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001118330391 812531505 /nfs/dbraw/zinc/53/15/05/812531505.db2.gz MJRYALFVKNWHPM-SNVBAGLBSA-N 2 0 296.375 -0.906 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158566260 815538338 /nfs/dbraw/zinc/53/83/38/815538338.db2.gz AKZJVPUZHXUIOT-DCAQKATOSA-N 2 0 287.335 -0.588 20 0 CBADRP O=C([C@@H]1CC[NH2+]C[C@H]1F)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158548459 815538346 /nfs/dbraw/zinc/53/83/46/815538346.db2.gz UHUZKXWYRXPAGT-FTQJZPFOSA-N 2 0 297.374 -0.087 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001118336525 812534486 /nfs/dbraw/zinc/53/44/86/812534486.db2.gz APPWZUUTQDQWAX-LBPRGKRZSA-N 2 0 268.405 -0.133 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001118337357 812534754 /nfs/dbraw/zinc/53/47/54/812534754.db2.gz FBIXOPLJXBJCID-MJBXVCDLSA-N 2 0 299.415 -0.033 20 0 CBADRP CC[C@@]([NH3+])(CO)Nc1ccc(N2CC[NH2+]CC2)nn1 ZINC001159743568 815592497 /nfs/dbraw/zinc/59/24/97/815592497.db2.gz IGJHOHTUIQPIAZ-LBPRGKRZSA-N 2 0 266.349 -0.645 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@H](C)[NH3+])CC1 ZINC001118482601 812554275 /nfs/dbraw/zinc/55/42/75/812554275.db2.gz PELKZNSUTBXFQV-NSHDSACASA-N 2 0 299.419 -0.377 20 0 CBADRP CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158505306 815536405 /nfs/dbraw/zinc/53/64/05/815536405.db2.gz AMCZZLGBXYNGOU-UONOGXRCSA-N 2 0 299.415 -0.018 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NCC23CC(C2)C[NH2+]3)nn1 ZINC001118506840 812562017 /nfs/dbraw/zinc/56/20/17/812562017.db2.gz QIMMCXGCLMQMIY-UHFFFAOYSA-N 2 0 264.333 -0.891 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)CCC[NH3+])CC1 ZINC001118507234 812563508 /nfs/dbraw/zinc/56/35/08/812563508.db2.gz TYPLBZULBJGXLC-UHFFFAOYSA-N 2 0 284.404 -0.168 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158567170 815538516 /nfs/dbraw/zinc/53/85/16/815538516.db2.gz FKTJUIFUYOTHIC-ZMLRMANQSA-N 2 0 295.362 -0.185 20 0 CBADRP O=C(C1CC2(C[NH2+]C2)C1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533702 815537037 /nfs/dbraw/zinc/53/70/37/815537037.db2.gz OOIQRGWXALAWIB-XJKCOSOUSA-N 2 0 291.395 -0.035 20 0 CBADRP CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001158535126 815537389 /nfs/dbraw/zinc/53/73/89/815537389.db2.gz VVLQSZREFTUIKX-XUJVJEKNSA-N 2 0 295.383 -0.133 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[C@H](C)[NH2+]C)C1 ZINC001118550367 812573608 /nfs/dbraw/zinc/57/36/08/812573608.db2.gz DZLSGSUCSMMRPE-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC2CC1(C[NH3+])C2)c1cnn(C)c1 ZINC001118569513 812579067 /nfs/dbraw/zinc/57/90/67/812579067.db2.gz GZZJDGWYYVGILJ-QDYJBQRPSA-N 2 0 263.345 -0.370 20 0 CBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)C[C@H]2CF)CC1 ZINC001158566316 815538042 /nfs/dbraw/zinc/53/80/42/815538042.db2.gz BSOWKIJGDADURX-CKIKVBCHSA-N 2 0 296.390 -0.528 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001118571609 812580195 /nfs/dbraw/zinc/58/01/95/812580195.db2.gz GIPKBMKGVWTLEL-SNVBAGLBSA-N 2 0 265.317 -0.745 20 0 CBADRP [NH3+]C1([C@H]2CN(C(=O)[C@H]3C[NH2+]CCN3)C[C@@H]2CF)CC1 ZINC001158578105 815539143 /nfs/dbraw/zinc/53/91/43/815539143.db2.gz KJENNJXZPLPVGX-GARJFASQSA-N 2 0 270.352 -0.917 20 0 CBADRP [NH3+]C1([C@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@H]2CF)CC1 ZINC001158578562 815539227 /nfs/dbraw/zinc/53/92/27/815539227.db2.gz MJSVUNKZAWJQTP-RCWTZXSCSA-N 2 0 271.336 -0.755 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)C1 ZINC001158576607 815539357 /nfs/dbraw/zinc/53/93/57/815539357.db2.gz CCPJKOXRIMNRTF-MMWGEVLESA-N 2 0 270.352 -0.789 20 0 CBADRP N[C@]1(C(=O)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)CCC[NH2+]C1 ZINC001158578149 815539511 /nfs/dbraw/zinc/53/95/11/815539511.db2.gz KQTGZQHXGZZHEU-MISXGVKJSA-N 2 0 284.379 -0.397 20 0 CBADRP [NH3+]C1([C@H]2CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C[C@H]2CF)CC1 ZINC001158579517 815539629 /nfs/dbraw/zinc/53/96/29/815539629.db2.gz UJXXLDTYINPWRN-GCHJQGSQSA-N 2 0 267.348 -0.013 20 0 CBADRP [NH3+]C1([C@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@H]2CF)CC1 ZINC001158577017 815539771 /nfs/dbraw/zinc/53/97/71/815539771.db2.gz FYVGKRDVBSOLBP-RCWTZXSCSA-N 2 0 271.336 -0.755 20 0 CBADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001158626304 815540427 /nfs/dbraw/zinc/54/04/27/815540427.db2.gz JRHYXLRJGKLWSP-TUAOUCFPSA-N 3 0 266.389 -0.654 20 0 CBADRP O=C(N1CCCC(=O)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158661927 815542511 /nfs/dbraw/zinc/54/25/11/815542511.db2.gz ZRHHJVGSHIIMHB-BXUZGUMPSA-N 2 0 265.357 -0.233 20 0 CBADRP C[C@@H](CCC[NH3+])NC(=O)NC1(C[NH3+])CCOCC1 ZINC001118862115 812644057 /nfs/dbraw/zinc/64/40/57/812644057.db2.gz UYSDFPCTSOXRKZ-JTQLQIEISA-N 2 0 258.366 -0.079 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001118861481 812644116 /nfs/dbraw/zinc/64/41/16/812644116.db2.gz JFPFILDFFPKVAM-GHMZBOCLSA-N 2 0 258.366 -0.650 20 0 CBADRP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC001118896995 812656350 /nfs/dbraw/zinc/65/63/50/812656350.db2.gz ITPRDAIRAJOIJU-PJSNJIKXSA-N 2 0 267.373 -0.003 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)NC1(C[NH3+])CCOCC1 ZINC001118921647 812663197 /nfs/dbraw/zinc/66/31/97/812663197.db2.gz ZJUOGOORWSGHEO-JTQLQIEISA-N 2 0 258.366 -0.351 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC001118975939 812680948 /nfs/dbraw/zinc/68/09/48/812680948.db2.gz UQUAZHLEPIMTCB-QWHCGFSZSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H]([NH3+])CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001118996605 812686999 /nfs/dbraw/zinc/68/69/99/812686999.db2.gz RDYBMJKOMRJULZ-YTWAJWBKSA-N 2 0 254.334 -0.800 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001119036140 812695536 /nfs/dbraw/zinc/69/55/36/812695536.db2.gz DXLRWFOFEVFESM-IJLUTSLNSA-N 2 0 282.388 -0.655 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N(C)C[C@@H](O)CO ZINC001158798153 815548501 /nfs/dbraw/zinc/54/85/01/815548501.db2.gz FVPGMASVYAFSLW-NEPJUHHUSA-N 2 0 275.393 -0.706 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)c2c(C[NH3+])cnn2C)C[NH2+]1 ZINC001119243411 812731715 /nfs/dbraw/zinc/73/17/15/812731715.db2.gz RHLHGABZHKXWDA-WCBMZHEXSA-N 2 0 251.334 -0.251 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC001119296526 812745631 /nfs/dbraw/zinc/74/56/31/812745631.db2.gz VBFRVVFQYRIXGJ-STQMWFEESA-N 2 0 286.395 -0.312 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCOCC1 ZINC001119300425 812747088 /nfs/dbraw/zinc/74/70/88/812747088.db2.gz UCYBHHNVJSCEKL-SECBINFHSA-N 2 0 261.391 -0.309 20 0 CBADRP C[NH2+]CCOCCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC001119299178 812747532 /nfs/dbraw/zinc/74/75/32/812747532.db2.gz FBWKYIVIJTWIAZ-UHFFFAOYSA-N 2 0 295.387 -0.686 20 0 CBADRP CSCC[C@H]([NH3+])C(=O)NCC1([NH3+])CCOCC1 ZINC001119300426 812747543 /nfs/dbraw/zinc/74/75/43/812747543.db2.gz UCYBHHNVJSCEKL-VIFPVBQESA-N 2 0 261.391 -0.309 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001119300723 812748571 /nfs/dbraw/zinc/74/85/71/812748571.db2.gz FEIUVNAMLOEOIU-AVGNSLFASA-N 2 0 268.405 -0.134 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)=NO1 ZINC001119300988 812748846 /nfs/dbraw/zinc/74/88/46/812748846.db2.gz MSFHRDAIQQQGTF-IQJOONFLSA-N 2 0 252.318 -0.557 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001119351015 812762410 /nfs/dbraw/zinc/76/24/10/812762410.db2.gz OYMUNWIWVVEVPX-LBPRGKRZSA-N 2 0 286.420 -0.066 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC001119356293 812765446 /nfs/dbraw/zinc/76/54/46/812765446.db2.gz FJBICIWEPILWLA-SNVBAGLBSA-N 2 0 272.393 -0.314 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119356634 812765513 /nfs/dbraw/zinc/76/55/13/812765513.db2.gz JPXIEQWJSNCXFM-UZWSLXQKSA-N 2 0 294.399 -0.561 20 0 CBADRP [NH3+]CCN(CC(F)(F)F)C(=O)C[C@H]1C[NH2+]CCO1 ZINC001119361746 812766418 /nfs/dbraw/zinc/76/64/18/812766418.db2.gz OZBHTLVEWUTJGV-QMMMGPOBSA-N 2 0 269.267 -0.286 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001119363408 812767843 /nfs/dbraw/zinc/76/78/43/812767843.db2.gz XZDUWVKCUKISOS-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119370225 812769911 /nfs/dbraw/zinc/76/99/11/812769911.db2.gz IYQUYTLZOFZDGD-AVGNSLFASA-N 2 0 296.415 -0.360 20 0 CBADRP CCN(C(=O)c1cn(CCC[NH3+])nn1)[C@@H]1CC[NH2+]C1 ZINC001119380166 812772351 /nfs/dbraw/zinc/77/23/51/812772351.db2.gz FQOZLKSYSWRODS-SNVBAGLBSA-N 2 0 266.349 -0.549 20 0 CBADRP CCN(C(=O)C[NH2+]C[C@@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC001119381757 812772759 /nfs/dbraw/zinc/77/27/59/812772759.db2.gz YKEKJLZBELPMKE-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP CCN(C(=O)CN1CC[NH+](CC)CC1)[C@@H]1CC[NH2+]C1 ZINC001119380967 812773098 /nfs/dbraw/zinc/77/30/98/812773098.db2.gz NICKXZFJWXOPCX-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC001119410341 812776586 /nfs/dbraw/zinc/77/65/86/812776586.db2.gz XQQBMLPTTBLDMT-NWDGAFQWSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC001119403697 812776760 /nfs/dbraw/zinc/77/67/60/812776760.db2.gz ZXQCCMVFKRWWNU-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC001119410340 812777094 /nfs/dbraw/zinc/77/70/94/812777094.db2.gz XQQBMLPTTBLDMT-NEPJUHHUSA-N 2 0 296.415 -0.075 20 0 CBADRP c1ncc(N2CC[NH2+]C3(CC3)C2)nc1N1CC[NH2+]CC1 ZINC001158936922 815552905 /nfs/dbraw/zinc/55/29/05/815552905.db2.gz WMMWCMJQVWXALL-UHFFFAOYSA-N 2 0 274.372 -0.172 20 0 CBADRP C[NH+](C)CCCn1cc(CC2(O)CC[NH2+]CC2)nn1 ZINC001119442432 812786294 /nfs/dbraw/zinc/78/62/94/812786294.db2.gz VXRBTVYDOMNBTB-UHFFFAOYSA-N 2 0 267.377 -0.113 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC001119501716 812794537 /nfs/dbraw/zinc/79/45/37/812794537.db2.gz DACXCDBPVIYXGY-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP CC1(C)CN(C(=O)C(=O)N2CCn3cncc3C2)C[C@@H]1[NH3+] ZINC001119544160 812805226 /nfs/dbraw/zinc/80/52/26/812805226.db2.gz GEKFJAQEJSNCHT-NSHDSACASA-N 2 0 291.355 -0.579 20 0 CBADRP COC[C@H]1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])Cc2cn(C)nc21 ZINC001159018291 815555199 /nfs/dbraw/zinc/55/51/99/815555199.db2.gz LEQGZGZFEYJIDL-NEPJUHHUSA-N 2 0 295.387 -0.442 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)NCCC[NH2+]CCO ZINC001159148927 815560650 /nfs/dbraw/zinc/56/06/50/815560650.db2.gz PGUVSFITWMKBCY-NSHDSACASA-N 2 0 263.357 -0.246 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001159154815 815560677 /nfs/dbraw/zinc/56/06/77/815560677.db2.gz BWHIODPIMJZZCA-QWRGUYRKSA-N 2 0 290.383 -0.364 20 0 CBADRP N[C@@H](C[NH3+])C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001159136203 815560701 /nfs/dbraw/zinc/56/07/01/815560701.db2.gz PASSQEGYJPSVOE-MELADBBJSA-N 2 0 289.383 -0.457 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)NCCC[NH2+]CC(N)=O ZINC001159156014 815561265 /nfs/dbraw/zinc/56/12/65/815561265.db2.gz ZYBMLSXJONIGTQ-JTQLQIEISA-N 2 0 276.356 -0.753 20 0 CBADRP COCc1n[nH]c2c1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C2 ZINC001159090608 815558242 /nfs/dbraw/zinc/55/82/42/815558242.db2.gz FZWOILMPXQOTJO-VIFPVBQESA-N 2 0 267.333 -0.536 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001120455956 812970322 /nfs/dbraw/zinc/97/03/22/812970322.db2.gz NWNBAGFFGGLNCS-NOHGZBONSA-N 2 0 255.362 -0.315 20 0 CBADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC001120480735 812972553 /nfs/dbraw/zinc/97/25/53/812972553.db2.gz BQTVFMYCCOXZMQ-LSDHHAIUSA-N 3 0 284.448 -0.474 20 0 CBADRP CN(CCC[NH2+]CCS(C)(=O)=O)CC[NH+](C)C ZINC001120500030 812977116 /nfs/dbraw/zinc/97/71/16/812977116.db2.gz KBZAKLGLJNMSNS-UHFFFAOYSA-N 2 0 265.423 -0.496 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291206 815567129 /nfs/dbraw/zinc/56/71/29/815567129.db2.gz MHDRQSBEVSQLOJ-ZDUSSCGKSA-N 3 0 280.416 -0.003 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001120528655 812983461 /nfs/dbraw/zinc/98/34/61/812983461.db2.gz SCYMRGIZKNRTHO-LBPRGKRZSA-N 2 0 298.431 -0.194 20 0 CBADRP [NH3+]CCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001120538496 812985454 /nfs/dbraw/zinc/98/54/54/812985454.db2.gz OKXXVWFSTDLVDH-GHMZBOCLSA-N 2 0 256.350 -0.814 20 0 CBADRP C[C@H](NC(=O)N1CCNCC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001120537710 812985493 /nfs/dbraw/zinc/98/54/93/812985493.db2.gz HOMGNKDYICTORR-STQMWFEESA-N 2 0 283.420 -0.421 20 0 CBADRP C[C@H](NC(=O)N1CCNCC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001120537709 812985631 /nfs/dbraw/zinc/98/56/31/812985631.db2.gz HOMGNKDYICTORR-QWHCGFSZSA-N 2 0 283.420 -0.421 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)NCCCN1CC[NH2+]CC1 ZINC001120538875 812986568 /nfs/dbraw/zinc/98/65/68/812986568.db2.gz SUWWGXRRRIIWEU-GFCCVEGCSA-N 2 0 283.420 -0.421 20 0 CBADRP [NH3+]C[C@@H](NC(=O)N1CCNCC[NH2+]CC1)C1CCCC1 ZINC001120544044 812987455 /nfs/dbraw/zinc/98/74/55/812987455.db2.gz MGZWSSKYSKTRLM-CYBMUJFWSA-N 2 0 283.420 -0.292 20 0 CBADRP O=C(NCCCCCN1CC[NH2+]CC1)NCC1C[NH2+]C1 ZINC001120542543 812987738 /nfs/dbraw/zinc/98/77/38/812987738.db2.gz NNHSZURXWBIQQY-UHFFFAOYSA-N 2 0 283.420 -0.420 20 0 CBADRP [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001120547076 812989301 /nfs/dbraw/zinc/98/93/01/812989301.db2.gz WWLAJRTVAODDIQ-IIEKFROSSA-N 2 0 250.346 -0.273 20 0 CBADRP CCN1CCC[C@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001120569685 812993510 /nfs/dbraw/zinc/99/35/10/812993510.db2.gz GADPPHFXBFEIFK-LSDHHAIUSA-N 2 0 284.448 -0.331 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC001120573656 812994067 /nfs/dbraw/zinc/99/40/67/812994067.db2.gz HBBORCDIQGCFPR-CVEARBPZSA-N 2 0 298.475 -0.085 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]([NH3+])C1CC1 ZINC001120629718 813001899 /nfs/dbraw/zinc/00/18/99/813001899.db2.gz JQIIWJWOSAEAEN-QWRGUYRKSA-N 2 0 256.350 -0.647 20 0 CBADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)NCCCN1CC[NH2+]CC1)C2 ZINC001120625887 813002081 /nfs/dbraw/zinc/00/20/81/813002081.db2.gz LYVQFKXIXNARPA-IHRRRGAJSA-N 2 0 295.431 -0.197 20 0 CBADRP C[NH2+]CCNC(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001120629722 813002372 /nfs/dbraw/zinc/00/23/72/813002372.db2.gz JRAXXUHUIDQSJM-CWSCBRNRSA-N 2 0 284.360 -0.872 20 0 CBADRP [NH3+]CCCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001120625500 813002390 /nfs/dbraw/zinc/00/23/90/813002390.db2.gz JMOSPLLVZPSPAK-RYUDHWBXSA-N 2 0 270.377 -0.424 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC001120629719 813002550 /nfs/dbraw/zinc/00/25/50/813002550.db2.gz JQIIWJWOSAEAEN-WDEREUQCSA-N 2 0 256.350 -0.647 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)N1CC[NH2+]C[C@H]1COC ZINC001120630999 813003523 /nfs/dbraw/zinc/00/35/23/813003523.db2.gz VMNRJAAHTMFCNF-MNOVXSKESA-N 2 0 258.366 -0.386 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC001120645292 813006404 /nfs/dbraw/zinc/00/64/04/813006404.db2.gz UQKJFOKPWYOMGR-WOPDTQHZSA-N 2 0 269.393 -0.874 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC001120645291 813006678 /nfs/dbraw/zinc/00/66/78/813006678.db2.gz UQKJFOKPWYOMGR-GRYCIOLGSA-N 2 0 269.393 -0.874 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001159335069 815570938 /nfs/dbraw/zinc/57/09/38/815570938.db2.gz QOZMMYYZMFHCLN-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP [NH3+]CCOCCOCCNc1ncc2c(n1)C[NH2+]C2 ZINC001159445102 815573501 /nfs/dbraw/zinc/57/35/01/815573501.db2.gz FBBTWHNQLFSEOZ-UHFFFAOYSA-N 2 0 267.333 -0.516 20 0 CBADRP C[C@H]([NH2+]C1CC2(CC(NC(=O)CC[NH+](C)C)C2)C1)C(N)=O ZINC001121696468 813075417 /nfs/dbraw/zinc/07/54/17/813075417.db2.gz UCKXFLQBVBMWHA-ZWESNROVSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC001121809852 813075977 /nfs/dbraw/zinc/07/59/77/813075977.db2.gz ASBMRNSOYSDIPH-SCDSUCTJSA-N 2 0 266.389 -0.382 20 0 CBADRP CN(C(=O)C[NH+]1CCC(CO)CC1)C1CC[NH2+]CC1 ZINC001121810237 813076426 /nfs/dbraw/zinc/07/64/26/813076426.db2.gz HFNTVAUBXGMUHC-UHFFFAOYSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001121817276 813078305 /nfs/dbraw/zinc/07/83/05/813078305.db2.gz LKJDJQLVMPWUMV-WHOHXGKFSA-N 2 0 255.362 -0.444 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001121810551 813078416 /nfs/dbraw/zinc/07/84/16/813078416.db2.gz KZGFNCNJNXBQKP-ZDUSSCGKSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)C1 ZINC001121891779 813084109 /nfs/dbraw/zinc/08/41/09/813084109.db2.gz BLFMFYMHTXVZCY-QJPTWQEYSA-N 2 0 252.362 -0.805 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)C1 ZINC001121891781 813085334 /nfs/dbraw/zinc/08/53/34/813085334.db2.gz BLFMFYMHTXVZCY-UTUOFQBUSA-N 2 0 252.362 -0.805 20 0 CBADRP [NH3+]CCNCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001121900141 813087125 /nfs/dbraw/zinc/08/71/25/813087125.db2.gz CJYSKMGAFHJCPH-AWEZNQCLSA-N 2 0 276.384 -0.075 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC001121939647 813093003 /nfs/dbraw/zinc/09/30/03/813093003.db2.gz LJMOBPMAVUMJTH-GARJFASQSA-N 2 0 255.362 -0.539 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001122099694 813116645 /nfs/dbraw/zinc/11/66/45/813116645.db2.gz JEQYEBXXYIYPLI-TUAOUCFPSA-N 2 0 257.378 -0.102 20 0 CBADRP N[C@@H](CC(=O)NCC[N@@H+]1CCCOCC1)C(F)F ZINC001121963667 813097965 /nfs/dbraw/zinc/09/79/65/813097965.db2.gz KOMCFIWDSRYSRU-VIFPVBQESA-N 2 0 265.304 -0.193 20 0 CBADRP C[NH+](C)CCOCCNC(=O)C1CC2(C1)C[C@H]([NH3+])CCO2 ZINC001121960459 813098025 /nfs/dbraw/zinc/09/80/25/813098025.db2.gz UAXVPDUSYGFRLO-JVWICGRDSA-N 2 0 299.415 -0.033 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001121992394 813101873 /nfs/dbraw/zinc/10/18/73/813101873.db2.gz IANYZUYRCLLPFQ-SRVKXCTJSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)[N@H+](C)C1CC1 ZINC001121996103 813102995 /nfs/dbraw/zinc/10/29/95/813102995.db2.gz BIULJRSGDYPGKF-AAEUAGOBSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCn1ccnc1C ZINC001121996047 813103145 /nfs/dbraw/zinc/10/31/45/813103145.db2.gz BRODASPKHPOEDN-GXSJLCMTSA-N 2 0 254.334 -0.476 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001121999914 813103185 /nfs/dbraw/zinc/10/31/85/813103185.db2.gz AXBKHXATDZYDKM-GUBZILKMSA-N 2 0 268.361 -0.951 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC001122011164 813103817 /nfs/dbraw/zinc/10/38/17/813103817.db2.gz JNCYVPFWKIMSTR-UKKRHICBSA-N 2 0 255.362 -0.330 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC001122024274 813106525 /nfs/dbraw/zinc/10/65/25/813106525.db2.gz UATZYPNMAMIQKW-DTWKUNHWSA-N 2 0 262.304 -0.997 20 0 CBADRP O=C(NCC1(O)C[NH2+]C1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC001122054840 813109962 /nfs/dbraw/zinc/10/99/62/813109962.db2.gz AJQWYZRWFXPDBY-WOPDTQHZSA-N 2 0 267.373 -0.252 20 0 CBADRP C[NH+](C)CCOCC(=O)NC1CC2(C1)CC([NH2+]CCO)C2 ZINC001122069027 813111746 /nfs/dbraw/zinc/11/17/46/813111746.db2.gz QMOFUNZPHMPEPV-UHFFFAOYSA-N 2 0 299.415 -0.426 20 0 CBADRP [NH3+]CCNCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC001122066251 813111942 /nfs/dbraw/zinc/11/19/42/813111942.db2.gz UVEVRRYAVRJRKP-ZIAGYGMSSA-N 2 0 294.374 -0.064 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)NCCC[NH2+]C1CC1 ZINC001122087476 813115518 /nfs/dbraw/zinc/11/55/18/813115518.db2.gz RIGBPUBKUHLDQZ-CYBMUJFWSA-N 2 0 255.362 -0.251 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001122089193 813115760 /nfs/dbraw/zinc/11/57/60/813115760.db2.gz RKUOSLANQLXDJE-SNVBAGLBSA-N 2 0 254.334 -0.060 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC001122093575 813115853 /nfs/dbraw/zinc/11/58/53/813115853.db2.gz BDOHLQZSCZPPIW-OXHZDVMGSA-N 2 0 269.389 -0.339 20 0 CBADRP C[C@@H]([NH3+])CONC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC001122100056 813116461 /nfs/dbraw/zinc/11/64/61/813116461.db2.gz QVIWRFNGNPNKMI-HTQZYQBOSA-N 2 0 253.306 -0.505 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH3+])CC(O)C3)CC[C@@H]21 ZINC001122108362 813118887 /nfs/dbraw/zinc/11/88/87/813118887.db2.gz PJZMHLAYVKDYRY-JJMZSNKZSA-N 2 0 267.373 -0.361 20 0 CBADRP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CC[NH2+]C[C@@H]1CO ZINC001122124105 813120293 /nfs/dbraw/zinc/12/02/93/813120293.db2.gz GFNAHCLGLBJBJB-NTZNESFSSA-N 2 0 253.346 -0.831 20 0 CBADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@H]1CO ZINC001122124821 813120565 /nfs/dbraw/zinc/12/05/65/813120565.db2.gz QGCCGOHAPHXKOT-RYUDHWBXSA-N 2 0 257.378 -0.210 20 0 CBADRP O=C(CCCCC1CC[NH2+]CC1)NCC1(O)C[NH2+]C1 ZINC001122135934 813122714 /nfs/dbraw/zinc/12/27/14/813122714.db2.gz GSWHORALRMNPDW-UHFFFAOYSA-N 2 0 269.389 -0.003 20 0 CBADRP O=C(CC[C@@H]1CCC[NH2+]1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001122142489 813123660 /nfs/dbraw/zinc/12/36/60/813123660.db2.gz RWCLNERHGJKSEV-QWRGUYRKSA-N 2 0 253.346 -0.234 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC001122142772 813123733 /nfs/dbraw/zinc/12/37/33/813123733.db2.gz ZWHPJHYPWCZQPF-LOWVWBTDSA-N 2 0 265.357 -0.377 20 0 CBADRP CC[C@@H](C(=O)NCCN1CCC([NH3+])CC1)[NH+](C)C ZINC001122157674 813126071 /nfs/dbraw/zinc/12/60/71/813126071.db2.gz SBTNCYAZAMYOMW-LBPRGKRZSA-N 2 0 256.394 -0.134 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)NCCN1CCC([NH3+])CC1 ZINC001122157791 813126207 /nfs/dbraw/zinc/12/62/07/813126207.db2.gz VQNUQOJSLFHOLE-VIFPVBQESA-N 2 0 264.320 -0.492 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001122159302 813126211 /nfs/dbraw/zinc/12/62/11/813126211.db2.gz NXGXDEIKSZFUMX-FXQIFTODSA-N 2 0 269.267 -0.302 20 0 CBADRP C[NH2+]CCOCCNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001122168814 813127373 /nfs/dbraw/zinc/12/73/73/813127373.db2.gz SGHYTUVZGRGQDN-ZDUSSCGKSA-N 2 0 284.360 -0.763 20 0 CBADRP C[NH+]1CCC2(CCN(C(=O)[C@H]([NH3+])CO)CC2)CC1 ZINC001122185997 813128723 /nfs/dbraw/zinc/12/87/23/813128723.db2.gz JNGLNIQCYQPMDA-LLVKDONJSA-N 2 0 255.362 -0.360 20 0 CBADRP CC[C@H](C(=O)N1NC(=O)CC12CC[NH2+]CC2)[NH+](C)C ZINC001122182338 813129397 /nfs/dbraw/zinc/12/93/97/813129397.db2.gz PNWKCZWPQXKZTO-SNVBAGLBSA-N 2 0 268.361 -0.288 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(C[NH3+])cc1 ZINC001122181533 813129423 /nfs/dbraw/zinc/12/94/23/813129423.db2.gz KQVVHPKMEAGXEJ-GFCCVEGCSA-N 2 0 251.330 -0.202 20 0 CBADRP CCC[N@H+](C)CC(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001122189244 813130578 /nfs/dbraw/zinc/13/05/78/813130578.db2.gz FIGPAKDLPYZSJC-GFCCVEGCSA-N 2 0 254.334 -0.676 20 0 CBADRP CCC[N@H+](C)CC(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001122189245 813130628 /nfs/dbraw/zinc/13/06/28/813130628.db2.gz FIGPAKDLPYZSJC-LBPRGKRZSA-N 2 0 254.334 -0.676 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)NCCCCCN2CC[NH2+]CC2)C1 ZINC001122194566 813131820 /nfs/dbraw/zinc/13/18/20/813131820.db2.gz GXOAHPMFHNSGCO-JOCQHMNTSA-N 2 0 268.405 -0.085 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC001122205578 813132597 /nfs/dbraw/zinc/13/25/97/813132597.db2.gz MJYOHHIYGOPNOJ-DGCLKSJQSA-N 2 0 255.362 -0.312 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001122205076 813133167 /nfs/dbraw/zinc/13/31/67/813133167.db2.gz BPWACVCBSSZXPP-GIPNMCIBSA-N 2 0 264.329 -0.175 20 0 CBADRP CCC1([NH3+])CCN(C(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001122208419 813134005 /nfs/dbraw/zinc/13/40/05/813134005.db2.gz UAPFJHWUPZRTAZ-NSHDSACASA-N 2 0 254.378 -0.380 20 0 CBADRP CC1(C)[C@H](NC(=O)C[C@@H](O)C[NH3+])[C@H]2CCC[NH2+][C@H]21 ZINC001122215653 813134129 /nfs/dbraw/zinc/13/41/29/813134129.db2.gz YQRVGJSPCCILKT-RBLKWDMZSA-N 2 0 255.362 -0.411 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCC3(CC2)C[NH2+]CCO3)C1 ZINC001122233284 813136142 /nfs/dbraw/zinc/13/61/42/813136142.db2.gz IKZKEVSWEAQUBT-PHIMTYICSA-N 2 0 253.346 -0.295 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)c1cn(CCCC[NH3+])nn1 ZINC001122229325 813136282 /nfs/dbraw/zinc/13/62/82/813136282.db2.gz SWXAWJYOYIHHBN-VXGBXAGGSA-N 2 0 294.403 -0.008 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001122224053 813136433 /nfs/dbraw/zinc/13/64/33/813136433.db2.gz CBJYQNYVPCICGF-IRUJWGPZSA-N 2 0 266.345 -0.391 20 0 CBADRP [NH3+]CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001122240694 813137651 /nfs/dbraw/zinc/13/76/51/813137651.db2.gz RQJNMAQDDVYQEH-RNFRBKRXSA-N 2 0 255.240 -0.690 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)c1ccn(CCC[NH3+])n1 ZINC001122276794 813139277 /nfs/dbraw/zinc/13/92/77/813139277.db2.gz ILESOHIKAKEPQY-NSHDSACASA-N 2 0 265.361 -0.040 20 0 CBADRP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCNCC[NH2+]CC1 ZINC001122287453 813139534 /nfs/dbraw/zinc/13/95/34/813139534.db2.gz BGUWPMSNNDGOIZ-GXTWGEPZSA-N 2 0 266.389 -0.603 20 0 CBADRP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCNCC[NH2+]CC1 ZINC001122288338 813141083 /nfs/dbraw/zinc/14/10/83/813141083.db2.gz SAEOBZJBKYJPHD-DGCLKSJQSA-N 2 0 252.362 -0.993 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)CC[C@@H]1C[NH3+] ZINC001122295167 813141649 /nfs/dbraw/zinc/14/16/49/813141649.db2.gz FELSNFNQTBJSIR-IJLUTSLNSA-N 2 0 255.362 -0.192 20 0 CBADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001122292715 813141863 /nfs/dbraw/zinc/14/18/63/813141863.db2.gz DXSSWGJNXKIFSM-DMDPSCGWSA-N 2 0 255.362 -0.184 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001122295713 813142128 /nfs/dbraw/zinc/14/21/28/813142128.db2.gz BQLCAYXXOGJKEG-CMPLNLGQSA-N 2 0 269.389 -0.149 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC001122301849 813143178 /nfs/dbraw/zinc/14/31/78/813143178.db2.gz NGQHKKXJPGZAEH-FMCLSXCISA-N 2 0 267.373 -0.179 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC001122362804 813153035 /nfs/dbraw/zinc/15/30/35/813153035.db2.gz GUUUSGLCAGXOPK-GHMZBOCLSA-N 2 0 255.362 -0.131 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC001122412735 813162145 /nfs/dbraw/zinc/16/21/45/813162145.db2.gz XZJZYZPOVVKIMS-GIPNMCIBSA-N 2 0 269.345 -0.393 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)c1cn(CCCC[NH3+])nn1 ZINC001122418568 813162245 /nfs/dbraw/zinc/16/22/45/813162245.db2.gz HNPRLKZFJXGFJF-LLVKDONJSA-N 2 0 296.375 -0.923 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001122419076 813162568 /nfs/dbraw/zinc/16/25/68/813162568.db2.gz XLFJXWCOUYBBMB-NSHDSACASA-N 2 0 253.346 -0.471 20 0 CBADRP C[C@H]1C(=O)Nc2cnc(N[C@H]([NH3+])CCC[NH3+])nc2N1C ZINC001159785800 815594521 /nfs/dbraw/zinc/59/45/21/815594521.db2.gz SVDSPKMJXACZEL-CBAPKCEASA-N 2 0 279.348 -0.311 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1cc(N2CCOCC2)ncn1 ZINC001159780233 815594923 /nfs/dbraw/zinc/59/49/23/815594923.db2.gz UXNYWDGHNCIBJX-JTQLQIEISA-N 3 0 266.349 -0.251 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)NC[C@H]1CCC[NH2+]CC1 ZINC001122494606 813170391 /nfs/dbraw/zinc/17/03/91/813170391.db2.gz HLUPRCSZPYYFOW-RYUDHWBXSA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH+]1CCC(OCC(=O)N[C@H]2C[NH2+]CC23CC3)CC1 ZINC001122498602 813170676 /nfs/dbraw/zinc/17/06/76/813170676.db2.gz NISQBIOJTKVOEJ-LBPRGKRZSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CCC[NH2+]CC1 ZINC001122494604 813170836 /nfs/dbraw/zinc/17/08/36/813170836.db2.gz HLUPRCSZPYYFOW-NEPJUHHUSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@@H]1C[NH2+]CC12CC2 ZINC001122498048 813170841 /nfs/dbraw/zinc/17/08/41/813170841.db2.gz JHSRDUIVWCRYSK-ZWNOBZJWSA-N 2 0 253.346 -0.641 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)[C@@H]1C[N@H+](C)CCN1C ZINC001122540556 813174709 /nfs/dbraw/zinc/17/47/09/813174709.db2.gz FSRPOXFZXQCZOH-AVGNSLFASA-N 2 0 268.405 -0.121 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)[C@H]1C[N@H+](C)CCN1C ZINC001122540558 813174881 /nfs/dbraw/zinc/17/48/81/813174881.db2.gz FSRPOXFZXQCZOH-RWMBFGLXSA-N 2 0 268.405 -0.121 20 0 CBADRP CCNS(=O)(=O)c1cccnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159786995 815596177 /nfs/dbraw/zinc/59/61/77/815596177.db2.gz PBTFFPVQNWKQNW-SNVBAGLBSA-N 2 0 287.389 -0.185 20 0 CBADRP [NH3+][C@H]1C[C@@H](NC(=O)C2=NOC3(C2)CC[NH2+]CC3)C1 ZINC001122580635 813177506 /nfs/dbraw/zinc/17/75/06/813177506.db2.gz JBQHRBHUMZUYKD-DTORHVGOSA-N 2 0 252.318 -0.509 20 0 CBADRP NC(=O)c1c(Cl)ncnc1N[C@H]([NH3+])CCC[NH3+] ZINC001159786757 815596266 /nfs/dbraw/zinc/59/62/66/815596266.db2.gz JMPQVUBQZMNTTG-YFKPBYRVSA-N 2 0 258.713 -0.336 20 0 CBADRP CN1CCN(c2nccc(N[C@H]([NH3+])CCC[NH3+])n2)CC1 ZINC001159787910 815596345 /nfs/dbraw/zinc/59/63/45/815596345.db2.gz DROSBRHCKCOETF-NSHDSACASA-N 2 0 279.392 -0.336 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2CC[N@@H+]3CC[C@H]2C3)nn1 ZINC001122601408 813179372 /nfs/dbraw/zinc/17/93/72/813179372.db2.gz COLDVEKBYKIZNT-NSHDSACASA-N 2 0 278.360 -0.453 20 0 CBADRP CN(C)c1nc(N[C@H]([NH3+])CCC[NH3+])nc2nc[nH]c21 ZINC001159787009 815596826 /nfs/dbraw/zinc/59/68/26/815596826.db2.gz PLFZRDMBGSWQGM-ZETCQYMHSA-N 2 0 264.337 -0.146 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+][C@H](C)C(N)=O)C1 ZINC001159838717 815599838 /nfs/dbraw/zinc/59/98/38/815599838.db2.gz OLYDIFIGDWHDGC-CHWSQXEVSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001159855014 815601129 /nfs/dbraw/zinc/60/11/29/815601129.db2.gz ZWHNMWCPBIVGJF-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP CCOC(=O)CN(CC[NH3+])c1ncc2c(n1)C[NH2+]C2 ZINC001159863724 815601511 /nfs/dbraw/zinc/60/15/11/815601511.db2.gz CPXKZTBDMOVIED-UHFFFAOYSA-N 2 0 265.317 -0.592 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH+]1CCCC1 ZINC001123482106 813243547 /nfs/dbraw/zinc/24/35/47/813243547.db2.gz KASZDJGJPOSRSS-CHWSQXEVSA-N 2 0 266.389 -0.413 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001123658655 813257467 /nfs/dbraw/zinc/25/74/67/813257467.db2.gz RPBYQGYOTHHJLD-JHJVBQTASA-N 2 0 268.405 -0.169 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH+]1CCC1 ZINC001123672377 813259706 /nfs/dbraw/zinc/25/97/06/813259706.db2.gz UUUXKNYDCVCSKW-RYUDHWBXSA-N 2 0 252.362 -0.803 20 0 CBADRP Cn1nccc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124837582 813485372 /nfs/dbraw/zinc/48/53/72/813485372.db2.gz OEBVBWPWSRIEOR-LBPRGKRZSA-N 2 0 265.361 -0.280 20 0 CBADRP Cn1cc(CC[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)cn1 ZINC001124866449 813489396 /nfs/dbraw/zinc/48/93/96/813489396.db2.gz CSCSKEZGJWFCKU-ZDUSSCGKSA-N 2 0 279.388 -0.237 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)NC1CC1 ZINC001124866515 813489682 /nfs/dbraw/zinc/48/96/82/813489682.db2.gz FBNZFDLPATZISJ-ZYHUDNBSSA-N 2 0 282.388 -0.547 20 0 CBADRP CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124866943 813489810 /nfs/dbraw/zinc/48/98/10/813489810.db2.gz NZZMIHBSHQCGCL-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NC1CC1 ZINC001124866513 813489853 /nfs/dbraw/zinc/48/98/53/813489853.db2.gz FBNZFDLPATZISJ-JQWIXIFHSA-N 2 0 282.388 -0.547 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001124866581 813489970 /nfs/dbraw/zinc/48/99/70/813489970.db2.gz GKDIGTXLDWCGDV-KGLIPLIRSA-N 2 0 299.415 -0.018 20 0 CBADRP CCN(C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001124867671 813492736 /nfs/dbraw/zinc/49/27/36/813492736.db2.gz XNZVNKPPGAYWRF-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001124872487 813492771 /nfs/dbraw/zinc/49/27/71/813492771.db2.gz HPOMKRJJLQEVTA-LLVKDONJSA-N 2 0 268.361 -0.935 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CCCC1 ZINC001124873511 813493660 /nfs/dbraw/zinc/49/36/60/813493660.db2.gz WHJGZVPZVUPDRV-ZDUSSCGKSA-N 2 0 296.415 -0.155 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001124873582 813493815 /nfs/dbraw/zinc/49/38/15/813493815.db2.gz ZFHOTOCFYBLFLW-GHMZBOCLSA-N 2 0 268.361 -0.935 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001124879661 813494510 /nfs/dbraw/zinc/49/45/10/813494510.db2.gz YBBCGYMOVNHVOP-VXGBXAGGSA-N 2 0 292.387 -0.435 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001127065612 813708946 /nfs/dbraw/zinc/70/89/46/813708946.db2.gz CBWBVROMCWDALT-CYBMUJFWSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(N)=O ZINC001127082502 813711014 /nfs/dbraw/zinc/71/10/14/813711014.db2.gz SHHBNHDEFGCWBW-RYUDHWBXSA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCCO ZINC001127081729 813711303 /nfs/dbraw/zinc/71/13/03/813711303.db2.gz AEFQYGIHQUXSGJ-GFCCVEGCSA-N 2 0 257.378 -0.053 20 0 CBADRP O=C(NCC[NH2+]CCCO)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127255359 813722210 /nfs/dbraw/zinc/72/22/10/813722210.db2.gz IWSWIMDFRVPNGC-STQMWFEESA-N 2 0 269.389 -0.051 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127255595 813722323 /nfs/dbraw/zinc/72/23/23/813722323.db2.gz KDJOUYKQWZTEAQ-GHMZBOCLSA-N 2 0 268.361 -0.948 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127257350 813722346 /nfs/dbraw/zinc/72/23/46/813722346.db2.gz XVMPCHHYVNWZKY-CHWSQXEVSA-N 2 0 296.415 -0.297 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475136 813732109 /nfs/dbraw/zinc/73/21/09/813732109.db2.gz RIKWFVPMEUZAFC-ZDUSSCGKSA-N 2 0 296.415 -0.441 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1=O ZINC001127480466 813732999 /nfs/dbraw/zinc/73/29/99/813732999.db2.gz KKVVVFAQVXTESW-CHWSQXEVSA-N 2 0 294.399 -0.735 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)N(C)C ZINC001127481129 813733355 /nfs/dbraw/zinc/73/33/55/813733355.db2.gz PVKRVFJWZXNWAF-DGCLKSJQSA-N 2 0 296.415 -0.489 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127481572 813733448 /nfs/dbraw/zinc/73/34/48/813733448.db2.gz USPYWIVLCRTHMA-JQWIXIFHSA-N 2 0 282.388 -0.832 20 0 CBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+]CCO)CC1 ZINC001127571639 813735103 /nfs/dbraw/zinc/73/51/03/813735103.db2.gz VQJZDXCWIONMQZ-KGLIPLIRSA-N 2 0 299.415 -0.569 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2cncn2C)CC[N@@H+]1C ZINC001127685216 813740678 /nfs/dbraw/zinc/74/06/78/813740678.db2.gz IONJBXVSWYJHGA-DGCLKSJQSA-N 2 0 279.388 -0.034 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NC)CC[N@@H+]1C ZINC001127690196 813741521 /nfs/dbraw/zinc/74/15/21/813741521.db2.gz GUGSWWMHDRQULK-WDEREUQCSA-N 2 0 270.377 -0.832 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NC2CC2)CC[N@@H+]1C ZINC001127695784 813741633 /nfs/dbraw/zinc/74/16/33/813741633.db2.gz YCPOJQIYFHMHCZ-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127765278 813747587 /nfs/dbraw/zinc/74/75/87/813747587.db2.gz JNKXCBFSUUUJOS-OLZOCXBDSA-N 2 0 285.388 -0.408 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CC(=O)NC ZINC001128527617 813780261 /nfs/dbraw/zinc/78/02/61/813780261.db2.gz ATXQWYIQHPFZEO-SNVBAGLBSA-N 2 0 276.356 -0.882 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC ZINC001128773533 813797948 /nfs/dbraw/zinc/79/79/48/813797948.db2.gz AQGJUGKGPBPDNN-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001128779751 813799055 /nfs/dbraw/zinc/79/90/55/813799055.db2.gz XOUBSLTWFUDZKT-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001128786131 813799136 /nfs/dbraw/zinc/79/91/36/813799136.db2.gz RTDFJCBUKPRIDG-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H](C)O ZINC001128786798 813799661 /nfs/dbraw/zinc/79/96/61/813799661.db2.gz WDGTYMDBTTXYFR-NWDGAFQWSA-N 2 0 257.378 -0.053 20 0 CBADRP C[NH+](C)C1(C(=O)NCC[NH2+]CCN2CCCC2=O)CCC1 ZINC001129357399 813836093 /nfs/dbraw/zinc/83/60/93/813836093.db2.gz KFITYALTHDDLHG-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129356709 813836276 /nfs/dbraw/zinc/83/62/76/813836276.db2.gz GJEYCGPVFAWXKP-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001129356779 813836469 /nfs/dbraw/zinc/83/64/69/813836469.db2.gz HXHBCMFGMAGSNR-SECBINFHSA-N 2 0 256.350 -0.950 20 0 CBADRP CN1CCC[C@H]([NH2+]CCNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001129356176 813836749 /nfs/dbraw/zinc/83/67/49/813836749.db2.gz DAFAPPBSLVEIJI-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)C1(C(=O)NCC[NH2+][C@@H]2CCNC2=O)CCC1 ZINC001129358039 813839014 /nfs/dbraw/zinc/83/90/14/813839014.db2.gz POCJARZMSIIPAR-SNVBAGLBSA-N 2 0 268.361 -0.935 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364624 813839770 /nfs/dbraw/zinc/83/97/70/813839770.db2.gz YOALWYKYQMTHEQ-TZMCWYRMSA-N 2 0 299.415 -0.284 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(N)=O ZINC001129418860 813841165 /nfs/dbraw/zinc/84/11/65/813841165.db2.gz XLEKFRNPOUZAIO-YPMHNXCESA-N 2 0 296.415 -0.027 20 0 CBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC(=O)NC(C)(C)C)C1CC1 ZINC001129436087 813842036 /nfs/dbraw/zinc/84/20/36/813842036.db2.gz MKPCPXDESHSVPP-ZDUSSCGKSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001129418987 813843634 /nfs/dbraw/zinc/84/36/34/813843634.db2.gz ZTGUHRZPLAITPK-OLZOCXBDSA-N 2 0 296.415 -0.156 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129437401 813844948 /nfs/dbraw/zinc/84/49/48/813844948.db2.gz ZXAPBJDYZGAUGS-GFCCVEGCSA-N 2 0 270.377 -0.832 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C)C(=O)NC1CC1 ZINC001129450381 813845407 /nfs/dbraw/zinc/84/54/07/813845407.db2.gz ZQXNDKIIKNKWMQ-GXFFZTMASA-N 2 0 296.415 -0.301 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129526372 813851088 /nfs/dbraw/zinc/85/10/88/813851088.db2.gz DBXZERWPRRUMEP-UHFFFAOYSA-N 2 0 280.376 -0.495 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129840741 813869683 /nfs/dbraw/zinc/86/96/83/813869683.db2.gz IRDRVLIZPHXNHO-NEPJUHHUSA-N 2 0 257.378 -0.053 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129839581 813869710 /nfs/dbraw/zinc/86/97/10/813869710.db2.gz BZSLGZOYXBLVCA-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129839578 813871852 /nfs/dbraw/zinc/87/18/52/813871852.db2.gz BZSLGZOYXBLVCA-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129855618 813872160 /nfs/dbraw/zinc/87/21/60/813872160.db2.gz HWMKRGVTOXIHDC-GFCCVEGCSA-N 2 0 294.403 -0.105 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1=O ZINC001129949663 813882083 /nfs/dbraw/zinc/88/20/83/813882083.db2.gz HGZTZCVDERFAEJ-OLZOCXBDSA-N 2 0 298.431 -0.101 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947203 813882260 /nfs/dbraw/zinc/88/22/60/813882260.db2.gz OETGMJYFNWQBEN-ZDUSSCGKSA-N 2 0 289.420 -0.059 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001129947431 813882819 /nfs/dbraw/zinc/88/28/19/813882819.db2.gz ZNJBHVGDRHIANB-ZDUSSCGKSA-N 2 0 284.404 -0.489 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1)[NH+](C)C ZINC001129949990 813883281 /nfs/dbraw/zinc/88/32/81/813883281.db2.gz NJLNSUUVPDORTA-YPMHNXCESA-N 2 0 298.431 -0.055 20 0 CBADRP O=C(NCC[NH2+][C@H]1CCNC1=O)C12CCC[NH+](CCC1)C2 ZINC001130171168 813914300 /nfs/dbraw/zinc/91/43/00/813914300.db2.gz IZJCFXQRKFJANB-LBPRGKRZSA-N 2 0 294.399 -0.543 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001130197788 813915534 /nfs/dbraw/zinc/91/55/34/813915534.db2.gz PPCCRSVJIDYQBW-SNVBAGLBSA-N 2 0 258.366 -0.879 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)N[C@H](C)C1CC1)[NH+](C)C ZINC001130198178 813915876 /nfs/dbraw/zinc/91/58/76/813915876.db2.gz YQYZDHWDYJGISZ-DGCLKSJQSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1)[NH+](C)C ZINC001130199999 813916271 /nfs/dbraw/zinc/91/62/71/813916271.db2.gz APIBMHNJGTVSLB-QWHCGFSZSA-N 2 0 297.403 -0.710 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C(C)C)[NH+](C)C ZINC001130197310 813916536 /nfs/dbraw/zinc/91/65/36/813916536.db2.gz GMUXESZPJMQXHS-GFCCVEGCSA-N 2 0 286.420 -0.101 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130186286 813917005 /nfs/dbraw/zinc/91/70/05/813917005.db2.gz FCYCBGGTARPQLU-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001130205006 813918264 /nfs/dbraw/zinc/91/82/64/813918264.db2.gz DXUAXONQZCTOGT-GHMZBOCLSA-N 2 0 272.393 -0.491 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001130296881 813921898 /nfs/dbraw/zinc/92/18/98/813921898.db2.gz DDBDFASEZHBJCL-GHMZBOCLSA-N 2 0 268.361 -0.935 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001130300237 813923684 /nfs/dbraw/zinc/92/36/84/813923684.db2.gz KLLGFBIPEOMCSG-LBPRGKRZSA-N 2 0 297.403 -0.798 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130303424 813924983 /nfs/dbraw/zinc/92/49/83/813924983.db2.gz CDNVLQMKYAAOGG-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)N(C)C ZINC001130304011 813925088 /nfs/dbraw/zinc/92/50/88/813925088.db2.gz QJVJLCHGMYPKNU-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)N(C)C ZINC001130304012 813925153 /nfs/dbraw/zinc/92/51/53/813925153.db2.gz QJVJLCHGMYPKNU-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCOCCO ZINC001130299716 813925429 /nfs/dbraw/zinc/92/54/29/813925429.db2.gz BDAKIXUQAOQNLZ-GFCCVEGCSA-N 2 0 273.377 -0.815 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001130303742 813925641 /nfs/dbraw/zinc/92/56/41/813925641.db2.gz INMYTHAZGZSQPG-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001130297288 813925934 /nfs/dbraw/zinc/92/59/34/813925934.db2.gz KCRQKOXUMPBCOE-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)NC1CC1 ZINC001130306060 813926842 /nfs/dbraw/zinc/92/68/42/813926842.db2.gz QIHYFHRLLCCUFN-WCQYABFASA-N 2 0 296.415 -0.156 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CCOCCO ZINC001130424980 813938494 /nfs/dbraw/zinc/93/84/94/813938494.db2.gz JMWUOELPJUPXFX-UHFFFAOYSA-N 2 0 275.393 -0.569 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001130427894 813938570 /nfs/dbraw/zinc/93/85/70/813938570.db2.gz SRKAZNYRBPQMHR-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001130419076 813938952 /nfs/dbraw/zinc/93/89/52/813938952.db2.gz KGXFDAAGUPUDGM-UHFFFAOYSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)CCN(C)c1cc[nH+]cc1)C(N)=O ZINC001130558508 813952808 /nfs/dbraw/zinc/95/28/08/813952808.db2.gz BEJSALCGNSVSFM-NSHDSACASA-N 2 0 293.371 -0.513 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001130711431 813969047 /nfs/dbraw/zinc/96/90/47/813969047.db2.gz VEYBHTWCPZZYMO-LLVKDONJSA-N 2 0 270.377 -0.702 20 0 CBADRP O=C(NCC[NH2+]CCOCCO)c1ccn2c[nH+]cc2c1 ZINC001130870423 813989975 /nfs/dbraw/zinc/98/99/75/813989975.db2.gz VJMZVXYUKUSZQI-UHFFFAOYSA-N 2 0 292.339 -0.337 20 0 CBADRP O=C(NCC[NH2+][C@@H]1CCNC1=O)c1ccc2c[nH+]cn2c1 ZINC001131370844 814025248 /nfs/dbraw/zinc/02/52/48/814025248.db2.gz WJKNFXSOEWKZSE-GFCCVEGCSA-N 2 0 287.323 -0.458 20 0 CBADRP CC(C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131522098 814036710 /nfs/dbraw/zinc/03/67/10/814036710.db2.gz SEULIIALEQEPML-LXVYMNJGSA-N 2 0 267.373 -0.036 20 0 CBADRP O=C(NCC[NH2+]CCCO)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790550 814069353 /nfs/dbraw/zinc/06/93/53/814069353.db2.gz PEPUGPCCIFMBDJ-ZDUSSCGKSA-N 2 0 269.389 -0.051 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790340 814069749 /nfs/dbraw/zinc/06/97/49/814069749.db2.gz LSKYLOLVFCRZKX-DGCLKSJQSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH+](C)C1(CC(=O)NCC[NH2+]CC(N)=O)CCCC1 ZINC001131837106 814073315 /nfs/dbraw/zinc/07/33/15/814073315.db2.gz PDYJQYXNBPZXLV-UHFFFAOYSA-N 2 0 270.377 -0.558 20 0 CBADRP CC(C)(C(=O)NCC[NH2+][C@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001132283691 814120842 /nfs/dbraw/zinc/12/08/42/814120842.db2.gz CZBOWKXJKGYBKE-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)COCC[NH+](C)C)C[N@@H+]1CCO ZINC001132425608 814149673 /nfs/dbraw/zinc/14/96/73/814149673.db2.gz JTBNBUCGYSIRBQ-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCOC2)C1 ZINC001132848851 814194234 /nfs/dbraw/zinc/19/42/34/814194234.db2.gz UHDWIFPKDXDNGA-ZIAGYGMSSA-N 2 0 299.415 -0.162 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001132887019 814196731 /nfs/dbraw/zinc/19/67/31/814196731.db2.gz ZHNMDRBIEYYYCI-SDDRHHMPSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)C)CC[N@@H+]1C ZINC001132886132 814196879 /nfs/dbraw/zinc/19/68/79/814196879.db2.gz DBVYUBZTFDPEHO-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)CC[N@@H+]1C ZINC001132887020 814197083 /nfs/dbraw/zinc/19/70/83/814197083.db2.gz ZHNMDRBIEYYYCI-SRVKXCTJSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CCn2cncn2)CC[N@@H+]1C ZINC001132893260 814199335 /nfs/dbraw/zinc/19/93/35/814199335.db2.gz MGBAYBRFWNEVMS-STQMWFEESA-N 2 0 294.403 -0.286 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001132893064 814199521 /nfs/dbraw/zinc/19/95/21/814199521.db2.gz JBHXDMFTQTZJJW-SDDRHHMPSA-N 2 0 284.404 -0.314 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132984073 814203860 /nfs/dbraw/zinc/20/38/60/814203860.db2.gz WXOSZWDAYSUTOF-GFCCVEGCSA-N 2 0 299.371 -0.332 20 0 CBADRP C[NH+](C)Cc1ccoc1C(=O)NCC[NH2+]CC(N)=O ZINC001132983804 814204299 /nfs/dbraw/zinc/20/42/99/814204299.db2.gz LRZQWLPQHRNFBM-UHFFFAOYSA-N 2 0 268.317 -0.854 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)c1occc1C[NH+](C)C)C(N)=O ZINC001132985728 814204862 /nfs/dbraw/zinc/20/48/62/814204862.db2.gz PHIPADGZMQCDPI-NSHDSACASA-N 2 0 296.371 -0.076 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993253 814206312 /nfs/dbraw/zinc/20/63/12/814206312.db2.gz PYBAQCSGUJNRLT-UHFFFAOYSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993050 814206400 /nfs/dbraw/zinc/20/64/00/814206400.db2.gz LMCGNEOIVBHZFU-UHFFFAOYSA-N 2 0 270.377 -0.878 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993457 814206454 /nfs/dbraw/zinc/20/64/54/814206454.db2.gz VFNKTAKHWDWOJW-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001132995463 814206857 /nfs/dbraw/zinc/20/68/57/814206857.db2.gz UNVFSCGQGMVFGP-NSHDSACASA-N 2 0 284.404 -0.489 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001132995050 814207247 /nfs/dbraw/zinc/20/72/47/814207247.db2.gz KBJZGYDNJDUOGV-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)CCCC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001133043378 814211561 /nfs/dbraw/zinc/21/15/61/814211561.db2.gz WDUPCFLLGAFAHN-UHFFFAOYSA-N 2 0 285.392 -0.941 20 0 CBADRP C[NH+](C)CCCC(=O)NCC[NH2+]CCOCCO ZINC001133043337 814213036 /nfs/dbraw/zinc/21/30/36/814213036.db2.gz UMHTYQWRTPVUCS-UHFFFAOYSA-N 2 0 261.366 -0.957 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001133274337 814234504 /nfs/dbraw/zinc/23/45/04/814234504.db2.gz GMAVANNXTZIXJZ-OLZOCXBDSA-N 2 0 298.431 -0.112 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285635 814235201 /nfs/dbraw/zinc/23/52/01/814235201.db2.gz ATLQASKHCOSJTO-UHFFFAOYSA-N 2 0 280.376 -0.637 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133287303 814235613 /nfs/dbraw/zinc/23/56/13/814235613.db2.gz GSKGERRPQHNLBD-GFCCVEGCSA-N 2 0 273.377 -0.959 20 0 CBADRP CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294868 814240321 /nfs/dbraw/zinc/24/03/21/814240321.db2.gz XPQRYRQKSXQDHO-UHFFFAOYSA-N 2 0 284.404 -0.488 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133419358 814251327 /nfs/dbraw/zinc/25/13/27/814251327.db2.gz OETGMJYFNWQBEN-CYBMUJFWSA-N 2 0 289.420 -0.059 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1)[NH+](C)C ZINC001133434329 814253326 /nfs/dbraw/zinc/25/33/26/814253326.db2.gz NJLNSUUVPDORTA-DGCLKSJQSA-N 2 0 298.431 -0.055 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133819369 814298984 /nfs/dbraw/zinc/29/89/84/814298984.db2.gz AAWHSSVDRPUVJH-ZDUSSCGKSA-N 2 0 287.404 -0.161 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133819668 814299612 /nfs/dbraw/zinc/29/96/12/814299612.db2.gz KQLBHMTUGBCNND-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)N(C)C ZINC001133819523 814300362 /nfs/dbraw/zinc/30/03/62/814300362.db2.gz FHYRYXUXEOUJDG-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001133824004 814302066 /nfs/dbraw/zinc/30/20/66/814302066.db2.gz VQVRKXPADVTXBR-LBPRGKRZSA-N 2 0 297.403 -0.798 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133823404 814303175 /nfs/dbraw/zinc/30/31/75/814303175.db2.gz FNXQJOCZASAIJA-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001133823987 814303191 /nfs/dbraw/zinc/30/31/91/814303191.db2.gz VASRHQUWIALZRQ-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(N)=O ZINC001133845739 814307183 /nfs/dbraw/zinc/30/71/83/814307183.db2.gz MMYIZTWVTVPFGJ-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845577 814307853 /nfs/dbraw/zinc/30/78/53/814307853.db2.gz IWSYTKNKRRBIPI-WDEREUQCSA-N 2 0 270.377 -0.832 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133849828 814308212 /nfs/dbraw/zinc/30/82/12/814308212.db2.gz FCXIJIQPLFXSLX-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CCCCNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845431 814308646 /nfs/dbraw/zinc/30/86/46/814308646.db2.gz FTYDBSZQDPCZKM-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845521 814309094 /nfs/dbraw/zinc/30/90/94/814309094.db2.gz HYPYJDCHDSIMDY-LBPRGKRZSA-N 2 0 284.404 -0.440 20 0 CBADRP COCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133863839 814310022 /nfs/dbraw/zinc/31/00/22/814310022.db2.gz PZJGWEGRBQMANO-NEPJUHHUSA-N 2 0 257.378 -0.074 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC[NH2+]CCO)C1 ZINC001133856335 814310198 /nfs/dbraw/zinc/31/01/98/814310198.db2.gz CUMVEIIAIYEWHB-CYBMUJFWSA-N 2 0 275.368 -0.103 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2cncn2C)C1 ZINC001133853694 814311821 /nfs/dbraw/zinc/31/18/21/814311821.db2.gz OTINUWSJHQTOSA-LBPRGKRZSA-N 2 0 279.388 -0.032 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC[NH2+]CCO)C1 ZINC001133856336 814312129 /nfs/dbraw/zinc/31/21/29/814312129.db2.gz CUMVEIIAIYEWHB-ZDUSSCGKSA-N 2 0 275.368 -0.103 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001133862836 814312476 /nfs/dbraw/zinc/31/24/76/814312476.db2.gz GTTJWHZLJMLWBG-OLZOCXBDSA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001133868153 814312815 /nfs/dbraw/zinc/31/28/15/814312815.db2.gz ZXRVVEYEVVUKCJ-RYUDHWBXSA-N 2 0 282.388 -0.878 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001133865208 814312848 /nfs/dbraw/zinc/31/28/48/814312848.db2.gz AICDHWRQJCNJBU-WCQYABFASA-N 2 0 296.415 -0.584 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001133864017 814314039 /nfs/dbraw/zinc/31/40/39/814314039.db2.gz SWRQQFSCPFXDBB-JSGCOSHPSA-N 2 0 293.415 -0.134 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ccnn1C ZINC001133866692 814314173 /nfs/dbraw/zinc/31/41/73/814314173.db2.gz NRUSULWCEQVJHR-WCQYABFASA-N 2 0 279.388 -0.176 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001133867397 814315556 /nfs/dbraw/zinc/31/55/56/814315556.db2.gz UAIWJPSFDXSCFM-AAEUAGOBSA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001133867400 814315792 /nfs/dbraw/zinc/31/57/92/814315792.db2.gz UAIWJPSFDXSCFM-YPMHNXCESA-N 2 0 296.415 -0.489 20 0 CBADRP CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133870428 814317332 /nfs/dbraw/zinc/31/73/32/814317332.db2.gz SZBSYMFYEQRGKZ-QWHCGFSZSA-N 2 0 298.431 -0.194 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]CCOCCO)C1 ZINC001133896737 814320909 /nfs/dbraw/zinc/32/09/09/814320909.db2.gz QZCBSEBCTUOLRS-UHFFFAOYSA-N 2 0 287.404 -0.567 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001133893314 814321285 /nfs/dbraw/zinc/32/12/85/814321285.db2.gz CACJEJOVZCZNDZ-NSHDSACASA-N 2 0 282.388 -0.687 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+][C@@H]1CCCNC1=O)[NH+](C)C ZINC001133962706 814331507 /nfs/dbraw/zinc/33/15/07/814331507.db2.gz MMYUTUMSBAWPEL-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)[NH+](C)C ZINC001133965700 814331619 /nfs/dbraw/zinc/33/16/19/814331619.db2.gz GBUHBJCYIUQNBH-NSHDSACASA-N 2 0 293.433 -0.533 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CCn1cncn1)[NH+](C)C ZINC001133965687 814331930 /nfs/dbraw/zinc/33/19/30/814331930.db2.gz FDEZZGFLGCYOHV-NSHDSACASA-N 2 0 268.365 -0.676 20 0 CBADRP C[C@@H](COCC(=O)NCC[NH2+]CCO)[NH+]1CCCC1 ZINC001134020870 814339791 /nfs/dbraw/zinc/33/97/91/814339791.db2.gz JGCLLQMPIJOIGJ-LBPRGKRZSA-N 2 0 273.377 -0.815 20 0 CBADRP C[NH+]1CCC(CC(=O)NCC[NH2+]CCOCCO)CC1 ZINC001134780729 814413371 /nfs/dbraw/zinc/41/33/71/814413371.db2.gz UHNITQFGAKWYTH-UHFFFAOYSA-N 2 0 287.404 -0.567 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135096044 814437452 /nfs/dbraw/zinc/43/74/52/814437452.db2.gz ZIPHLPLUBKMENO-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135309609 814460051 /nfs/dbraw/zinc/46/00/51/814460051.db2.gz ZRWKEHLDUNKDKM-NWDGAFQWSA-N 2 0 286.420 -0.053 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298435 814461050 /nfs/dbraw/zinc/46/10/50/814461050.db2.gz MHKJJQXFVQMIAF-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159915051 815604973 /nfs/dbraw/zinc/60/49/73/815604973.db2.gz GXYIUWDCNHGXGY-LBPRGKRZSA-N 2 0 270.377 -0.832 20 0 CBADRP CN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1=O ZINC001159931483 815605692 /nfs/dbraw/zinc/60/56/92/815605692.db2.gz DVTNKMMSZKWQMI-CHWSQXEVSA-N 2 0 296.415 -0.347 20 0 CBADRP C[N@H+](CC(=O)NCCC[NH2+][C@H]1CCCNC1=O)C1CCC1 ZINC001159997019 815606006 /nfs/dbraw/zinc/60/60/06/815606006.db2.gz BFRKYHTYOKTPLE-ZDUSSCGKSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CCn1cncn1)C1CC1 ZINC001159932965 815606386 /nfs/dbraw/zinc/60/63/86/815606386.db2.gz WXBNCSYLAQMNMU-ZDUSSCGKSA-N 2 0 294.403 -0.286 20 0 CBADRP C[C@@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)CC[NH+](C)C ZINC001135372120 814469980 /nfs/dbraw/zinc/46/99/80/814469980.db2.gz NIFHEHMXIQKGFS-QWRGUYRKSA-N 2 0 297.407 -0.465 20 0 CBADRP C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CC[NH+](C)C ZINC001135371811 814470107 /nfs/dbraw/zinc/47/01/07/814470107.db2.gz JGDFEFSBWVQPSL-UWVGGRQHSA-N 2 0 258.366 -0.704 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135373657 814470135 /nfs/dbraw/zinc/47/01/35/814470135.db2.gz XUFUJDFIZMRZPQ-VXGBXAGGSA-N 2 0 286.420 -0.053 20 0 CBADRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]CC(=O)N(C)C ZINC001135370970 814470538 /nfs/dbraw/zinc/47/05/38/814470538.db2.gz BYARFDQAAOBDTM-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001160003478 815607360 /nfs/dbraw/zinc/60/73/60/815607360.db2.gz QAJHACGRJDLCSD-GFCCVEGCSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001135510651 814479846 /nfs/dbraw/zinc/47/98/46/814479846.db2.gz DPGJMXLRFLYZDK-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001135507881 814479955 /nfs/dbraw/zinc/47/99/55/814479955.db2.gz AMLDPMJILLZBBJ-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CCn1cncn1 ZINC001135513733 814480779 /nfs/dbraw/zinc/48/07/79/814480779.db2.gz WSWVUVAHOHHPKY-UHFFFAOYSA-N 2 0 268.365 -0.674 20 0 CBADRP C[N@H+](CC(=O)NCCC[NH2+]CCn1cncn1)C1CCC1 ZINC001160003347 815608268 /nfs/dbraw/zinc/60/82/68/815608268.db2.gz KJUYIJZXLWYYAL-UHFFFAOYSA-N 2 0 294.403 -0.142 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001135512854 814481168 /nfs/dbraw/zinc/48/11/68/814481168.db2.gz ALMFYJSKHLIIQN-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156510 815612412 /nfs/dbraw/zinc/61/24/12/815612412.db2.gz QQNVJVHVFNEPLF-HZSPNIEDSA-N 3 0 296.415 -0.626 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001160274193 815613751 /nfs/dbraw/zinc/61/37/51/815613751.db2.gz QKVNYNUIBDXKCW-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135703187 814511658 /nfs/dbraw/zinc/51/16/58/814511658.db2.gz ZOXMSARXKUZSCR-LBPRGKRZSA-N 2 0 284.404 -0.441 20 0 CBADRP CC1CC[NH+](CC(=O)NCC[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001135703085 814512260 /nfs/dbraw/zinc/51/22/60/814512260.db2.gz WKUHJIJGTJSPNZ-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC ZINC001135743500 814516782 /nfs/dbraw/zinc/51/67/82/814516782.db2.gz LKTVFNNJOSHCDT-NWDGAFQWSA-N 2 0 286.420 -0.053 20 0 CBADRP CC(C)[C@@H](C(=O)NCCC[NH2+][C@H]1CCCNC1=O)[NH+](C)C ZINC001160427480 815619458 /nfs/dbraw/zinc/61/94/58/815619458.db2.gz RVBMBMQFUNMSJV-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](C[C@H](C)[NH2+]CCO)NC(=O)C12CC[NH+](CC1)C2 ZINC001135956058 814541519 /nfs/dbraw/zinc/54/15/19/814541519.db2.gz OUBRERCOVGLTQA-RYUDHWBXSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH+]1CC(C(=O)NCCN2CCC[N@H+](C)CC2)C1 ZINC001142600535 814723412 /nfs/dbraw/zinc/72/34/12/814723412.db2.gz ZRGFAFHSLOSRJE-UHFFFAOYSA-N 2 0 254.378 -0.698 20 0 CBADRP [NH3+]C1CCN(c2ccnc(N[C@H]3C[NH2+]C[C@H]3CO)n2)CC1 ZINC001159679615 815586628 /nfs/dbraw/zinc/58/66/28/815586628.db2.gz USBQNLWLZQKYNQ-JQWIXIFHSA-N 2 0 292.387 -0.604 20 0 CBADRP [NH3+]C1CCN(c2ccnc(N[C@@H]3C[NH2+]C[C@@H]3CO)n2)CC1 ZINC001159679617 815586735 /nfs/dbraw/zinc/58/67/35/815586735.db2.gz USBQNLWLZQKYNQ-ZYHUDNBSSA-N 2 0 292.387 -0.604 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CCC(=O)N(C)C ZINC001143063159 814754416 /nfs/dbraw/zinc/75/44/16/814754416.db2.gz PBMINFDOBKAJBB-UHFFFAOYSA-N 2 0 285.392 -0.081 20 0 CBADRP OC[C@H]1C[NH2+]C[C@@H]1Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC001159680558 815588263 /nfs/dbraw/zinc/58/82/63/815588263.db2.gz KCWZBLTUMNQXDD-YPMHNXCESA-N 2 0 277.372 -0.517 20 0 CBADRP Cc1cnc(N[C@@H]2C[NH2+]C[C@H]2CO)nc1C1C[NH2+]C1 ZINC001159683441 815588642 /nfs/dbraw/zinc/58/86/42/815588642.db2.gz TVHMCZBFJZPION-WDEREUQCSA-N 2 0 263.345 -0.536 20 0 CBADRP CN(CC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)C(N)=[NH2+] ZINC001144132182 814773382 /nfs/dbraw/zinc/77/33/82/814773382.db2.gz HYLKSFOPSHBBCH-UHFFFAOYSA-N 2 0 297.403 -0.475 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)CN(C)C(N)=[NH2+])CC1 ZINC001144144665 814773712 /nfs/dbraw/zinc/77/37/12/814773712.db2.gz ZPPSLPIGNLSOGI-UHFFFAOYSA-N 2 0 285.392 -0.571 20 0 CBADRP CN(CC(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1)C(N)=[NH2+] ZINC001144143350 814773774 /nfs/dbraw/zinc/77/37/74/814773774.db2.gz RTKVJZVRRPVRGK-HAQNSBGRSA-N 2 0 297.403 -0.429 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC2CC1(C(=O)N1CCCC1)C2 ZINC001159687455 815588950 /nfs/dbraw/zinc/58/89/50/815588950.db2.gz AWQLKDXRTHHXEC-AVERBVTBSA-N 2 0 294.399 -0.334 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146339714 814837503 /nfs/dbraw/zinc/83/75/03/814837503.db2.gz MWZMRMPVWMQQCD-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCCC1)[NH2+]CCO ZINC001146408721 814838509 /nfs/dbraw/zinc/83/85/09/814838509.db2.gz ONZHBTCWUYNYON-NEPJUHHUSA-N 2 0 257.378 -0.053 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001146705462 814843346 /nfs/dbraw/zinc/84/33/46/814843346.db2.gz SDQBJBJIRATQDG-UHFFFAOYSA-N 2 0 285.392 -0.941 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001146705945 814844048 /nfs/dbraw/zinc/84/40/48/814844048.db2.gz ZQSXAOPAJMASQV-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001146705944 814844107 /nfs/dbraw/zinc/84/41/07/814844107.db2.gz ZQSXAOPAJMASQV-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001146711493 814844272 /nfs/dbraw/zinc/84/42/72/814844272.db2.gz TYBHDZLZRXRNBL-UHFFFAOYSA-N 2 0 293.433 -0.531 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001146711141 814844349 /nfs/dbraw/zinc/84/43/49/814844349.db2.gz PISQHVDZINEDKO-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CCN1CCCC1=O ZINC001146711994 814845148 /nfs/dbraw/zinc/84/51/48/814845148.db2.gz YVOISSUJIKJLSM-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP COc1cc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])on1 ZINC001146941025 814857658 /nfs/dbraw/zinc/85/76/58/814857658.db2.gz MSNWTGQJXMEWOJ-UHFFFAOYSA-N 2 0 255.278 -0.242 20 0 CBADRP CC[N@H+](C)[C@@H](C(=O)NCC[NH2+]CC(N)=O)c1ccccc1 ZINC001147457571 814895625 /nfs/dbraw/zinc/89/56/25/814895625.db2.gz HHUHYDXPDCKASJ-CQSZACIVSA-N 2 0 292.383 -0.130 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147826283 814918179 /nfs/dbraw/zinc/91/81/79/814918179.db2.gz UVFYJOCCELDYPD-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP Cc1nn(C)cc1C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147841319 814919495 /nfs/dbraw/zinc/91/94/95/814919495.db2.gz FCMUVAZTGVNVQB-UHFFFAOYSA-N 2 0 297.403 -0.487 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)NC2CC2)C1 ZINC001147877002 814920619 /nfs/dbraw/zinc/92/06/19/814920619.db2.gz BSBQNTUGSLWPMC-LLVKDONJSA-N 2 0 282.388 -0.687 20 0 CBADRP Cc1oncc1C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147848215 814920952 /nfs/dbraw/zinc/92/09/52/814920952.db2.gz IPWINLZHYRLNTB-UHFFFAOYSA-N 2 0 284.360 -0.233 20 0 CBADRP C[C@@H]1CC[C@H](C[NH2+]CCNC(=O)COCC[NH+](C)C)O1 ZINC001147848870 814921410 /nfs/dbraw/zinc/92/14/10/814921410.db2.gz YAGFXBUWEUVBBP-CHWSQXEVSA-N 2 0 287.404 -0.162 20 0 CBADRP Cn1cncc1C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147877909 814922867 /nfs/dbraw/zinc/92/28/67/814922867.db2.gz PKMHCGAZIOXTIK-LBPRGKRZSA-N 2 0 279.388 -0.032 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001147884916 814922876 /nfs/dbraw/zinc/92/28/76/814922876.db2.gz IBLAJVGBBSIKSE-LBPRGKRZSA-N 2 0 296.415 -0.440 20 0 CBADRP Cn1cncc1C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147877908 814922947 /nfs/dbraw/zinc/92/29/47/814922947.db2.gz PKMHCGAZIOXTIK-GFCCVEGCSA-N 2 0 279.388 -0.032 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncnc2c1CC[NH2+]C2 ZINC001159750210 815593767 /nfs/dbraw/zinc/59/37/67/815593767.db2.gz HCTZQZZSBSHWCU-ZYHUDNBSSA-N 2 0 291.355 -0.315 20 0 CBADRP CN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159915651 815604022 /nfs/dbraw/zinc/60/40/22/815604022.db2.gz LMNKDCUMZXAENT-CYBMUJFWSA-N 2 0 284.404 -0.489 20 0 CBADRP Cn1cc(C[NH2+]CCCNC(=O)[C@H](C2CC2)[NH+](C)C)nn1 ZINC001159914490 815604417 /nfs/dbraw/zinc/60/44/17/815604417.db2.gz CKFREYOJPGSKHI-ZDUSSCGKSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C)C(N)=O ZINC001159925039 815604626 /nfs/dbraw/zinc/60/46/26/815604626.db2.gz NKILWSYQOYLPAR-GXSJLCMTSA-N 2 0 270.377 -0.704 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@@H]2C[C@H]1C[C@H]2F ZINC001160428402 815621425 /nfs/dbraw/zinc/62/14/25/815621425.db2.gz TYPFNYJWHXWEGY-XWLWVQCSSA-N 2 0 253.321 -0.246 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001160454695 815623275 /nfs/dbraw/zinc/62/32/75/815623275.db2.gz QLPTYRFYFONPRI-NEPJUHHUSA-N 2 0 254.378 -0.524 20 0 CBADRP C[C@@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001160451680 815623404 /nfs/dbraw/zinc/62/34/04/815623404.db2.gz TYDLLDXWRWEMSA-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP NC(=O)N1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160456489 815624728 /nfs/dbraw/zinc/62/47/28/815624728.db2.gz KOCIIFYJPHWJPI-NSHDSACASA-N 2 0 295.387 -0.917 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001160454775 815624752 /nfs/dbraw/zinc/62/47/52/815624752.db2.gz TZFINHKYINFROP-CYBMUJFWSA-N 2 0 296.415 -0.883 20 0 CBADRP COCCN(C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C(C)C ZINC001160463216 815625153 /nfs/dbraw/zinc/62/51/53/815625153.db2.gz HOWGZOILHWXJBJ-LLVKDONJSA-N 2 0 255.362 -0.321 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001160455021 815625386 /nfs/dbraw/zinc/62/53/86/815625386.db2.gz XEJLDBZDODQWJT-HXPMCKFVSA-N 2 0 289.445 -0.118 20 0 CBADRP CCN(CCC(N)=O)C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001160471461 815626065 /nfs/dbraw/zinc/62/60/65/815626065.db2.gz YWPPTNVLBBSDMC-NSHDSACASA-N 2 0 272.393 -0.231 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCC2(C1)OCCO2 ZINC001160470948 815626925 /nfs/dbraw/zinc/62/69/25/815626925.db2.gz MGGXZADZNGHRSS-NSHDSACASA-N 2 0 271.361 -0.192 20 0 CBADRP CC1(C)C(=O)NCCN1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001160478497 815627788 /nfs/dbraw/zinc/62/77/88/815627788.db2.gz UUHUXTFJVVQFJT-JTQLQIEISA-N 2 0 270.377 -0.430 20 0 CBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490590 815628404 /nfs/dbraw/zinc/62/84/04/815628404.db2.gz DAYZUKNBYXELDQ-CHWSQXEVSA-N 2 0 283.372 -0.968 20 0 CBADRP CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C1CCOCC1 ZINC001160492839 815629403 /nfs/dbraw/zinc/62/94/03/815629403.db2.gz IHQCDJPNINEOST-CQSZACIVSA-N 2 0 298.431 -0.236 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490800 815629594 /nfs/dbraw/zinc/62/95/94/815629594.db2.gz JHMIDLTXBLVKHD-GFCCVEGCSA-N 2 0 271.361 -0.981 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490804 815630077 /nfs/dbraw/zinc/63/00/77/815630077.db2.gz JHMIDLTXBLVKHD-LBPRGKRZSA-N 2 0 271.361 -0.981 20 0 CBADRP [NH3+]C1CCN(C(=O)[C@H]2C[NH2+]CC23CCOCC3)CC1 ZINC001160511467 815630737 /nfs/dbraw/zinc/63/07/37/815630737.db2.gz QJMVYBUSJIKBFT-GFCCVEGCSA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+]C1CCN(C(=O)[C@H]2CC[C@H]3[NH2+]CC[C@H]3O2)CC1 ZINC001160511378 815631436 /nfs/dbraw/zinc/63/14/36/815631436.db2.gz OCQJVCKXEYXJDD-IJLUTSLNSA-N 2 0 253.346 -0.154 20 0 CBADRP CNC(=O)c1ccc(N[C@]2(C[NH3+])CN3CCC2CC3)nn1 ZINC001160517056 815632539 /nfs/dbraw/zinc/63/25/39/815632539.db2.gz AQHRVPHBOLARMK-CQSZACIVSA-N 2 0 290.371 -0.329 20 0 CBADRP C[N@@H+]1C[C@H](C(=O)N2CCC([NH3+])CC2)OC2(CC[NH2+]CC2)C1 ZINC001160511802 815633216 /nfs/dbraw/zinc/63/32/16/815633216.db2.gz VLIIFOIJIRRETE-CYBMUJFWSA-N 3 0 296.415 -0.611 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001160538082 815633752 /nfs/dbraw/zinc/63/37/52/815633752.db2.gz SVHZEPSUWVQPMG-LBPRGKRZSA-N 3 0 256.394 -0.005 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001160537597 815633922 /nfs/dbraw/zinc/63/39/22/815633922.db2.gz NHLQVXLNUCJCFM-WFASDCNBSA-N 2 0 280.416 -0.119 20 0 CBADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)C[C@H](O)C[NH3+] ZINC001160539027 815634282 /nfs/dbraw/zinc/63/42/82/815634282.db2.gz NQBLTRQULNZAOO-DTWKUNHWSA-N 2 0 265.317 -0.863 20 0 CBADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001160539622 815634518 /nfs/dbraw/zinc/63/45/18/815634518.db2.gz YPPCIESEBKXPBS-VHSXEESVSA-N 3 0 278.360 -0.507 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CC1 ZINC001160538504 815634699 /nfs/dbraw/zinc/63/46/99/815634699.db2.gz ZJQGMYXTGZFFTI-FPMFFAJLSA-N 2 0 280.416 -0.121 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@H](C(N)=O)C1 ZINC001160548697 815635018 /nfs/dbraw/zinc/63/50/18/815635018.db2.gz INZOMMKBUJCLRY-ZJUUUORDSA-N 2 0 256.350 -0.963 20 0 CBADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001160539635 815635419 /nfs/dbraw/zinc/63/54/19/815635419.db2.gz ZBNCLHGNMBFQBS-QXEWZRGKSA-N 2 0 277.328 -0.992 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCCC12COC2)C1CC[NH2+]CC1 ZINC001160542078 815635575 /nfs/dbraw/zinc/63/55/75/815635575.db2.gz NOYLFMVSCWHGRD-LLVKDONJSA-N 2 0 253.346 -0.295 20 0 CBADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)C[C@H]1COCC[NH2+]1 ZINC001160541597 815635990 /nfs/dbraw/zinc/63/59/90/815635990.db2.gz DIYMQIAZCPHKIK-QWRGUYRKSA-N 2 0 291.355 -0.194 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCc2ncccc2C1 ZINC001160549085 815637450 /nfs/dbraw/zinc/63/74/50/815637450.db2.gz PMDHXTWDOPYVGU-GFCCVEGCSA-N 2 0 272.352 -0.225 20 0 CBADRP CC(C)(C)[NH+]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001160577389 815640032 /nfs/dbraw/zinc/64/00/32/815640032.db2.gz KREFDXUHGWCYJM-IUODEOHRSA-N 2 0 280.416 -0.119 20 0 CBADRP CC(C)(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001160578329 815640110 /nfs/dbraw/zinc/64/01/10/815640110.db2.gz WCVRBSLKIJQIGX-NSHDSACASA-N 3 0 256.394 -0.005 20 0 CBADRP CCOC(=O)[C@@H]1CCCCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160583424 815641198 /nfs/dbraw/zinc/64/11/98/815641198.db2.gz XXUBGAAMNVECQT-NEPJUHHUSA-N 2 0 295.383 -0.260 20 0 CBADRP COC(=O)C[C@@H]1CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCO1 ZINC001160596934 815644471 /nfs/dbraw/zinc/64/44/71/815644471.db2.gz XPORMZOCXRCCFF-DGCLKSJQSA-N 2 0 299.371 -0.896 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@H](n2cncn2)C1 ZINC001160635606 815646627 /nfs/dbraw/zinc/64/66/27/815646627.db2.gz BCCQQEWWRWXUKK-NWDGAFQWSA-N 2 0 290.371 -0.749 20 0 CBADRP COC(=O)[C@]1(C)CCCN(C(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001160635880 815648017 /nfs/dbraw/zinc/64/80/17/815648017.db2.gz MKIOGVQAKZDMDM-ZWNOBZJWSA-N 2 0 271.361 -0.146 20 0 CBADRP C[C@H]1CC(=O)CCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160642479 815650047 /nfs/dbraw/zinc/65/00/47/815650047.db2.gz JMEMFRCEPAGXEK-ONGXEEELSA-N 2 0 251.330 -0.625 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC(C)([NH+](C)C)C1 ZINC001160645591 815650228 /nfs/dbraw/zinc/65/02/28/815650228.db2.gz PYEJWDGWUZSVOL-LBPRGKRZSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH+](C)C1(C)CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001160645715 815650519 /nfs/dbraw/zinc/65/05/19/815650519.db2.gz SVXGMYZTHGXOAY-LLVKDONJSA-N 3 0 254.378 -0.524 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])C2CCC(O)CC2)CCO1 ZINC001160644154 815650800 /nfs/dbraw/zinc/65/08/00/815650800.db2.gz VCNMYPAFPFPTJF-QQFIATSDSA-N 2 0 271.361 -0.949 20 0 CBADRP CN(CC1COC1)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160644536 815650993 /nfs/dbraw/zinc/65/09/93/815650993.db2.gz GCQLPJFMXLJYGY-LBPRGKRZSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2CO[C@@]3(C2)CCC[NH2+]CC3)CCO1 ZINC001160644122 815651067 /nfs/dbraw/zinc/65/10/67/815651067.db2.gz STHJCKYTYRHNAU-IPYPFGDCSA-N 2 0 297.399 -0.279 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647202 815651335 /nfs/dbraw/zinc/65/13/35/815651335.db2.gz AQONCZDSHXCCMS-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP CO[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001160647245 815651396 /nfs/dbraw/zinc/65/13/96/815651396.db2.gz CMRWYSZGJJSDPV-NEPJUHHUSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(N1CCN2C(=O)CC[C@@H]2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160647270 815651627 /nfs/dbraw/zinc/65/16/27/815651627.db2.gz DOPHXVGVXUWPRY-LALPHHSUSA-N 2 0 292.383 -0.981 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCN2C(=O)CC[C@@H]2C1)C1CC[NH2+]CC1 ZINC001160647827 815651963 /nfs/dbraw/zinc/65/19/63/815651963.db2.gz UXMMNAMWPHSHQF-DGCLKSJQSA-N 2 0 280.372 -0.854 20 0 CBADRP [NH3+][C@@H](C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1)C1CC[NH2+]CC1 ZINC001160649433 815652110 /nfs/dbraw/zinc/65/21/10/815652110.db2.gz LIDVRMARKNVKKI-HBNTYKKESA-N 3 0 258.341 -0.789 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(=O)C(F)(F)C1 ZINC001160663716 815654633 /nfs/dbraw/zinc/65/46/33/815654633.db2.gz IIWWMQBQAROAIV-MRVPVSSYSA-N 2 0 273.283 -0.768 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)CC1 ZINC001160671716 815655545 /nfs/dbraw/zinc/65/55/45/815655545.db2.gz DAUNTSWEHQYFMD-STQMWFEESA-N 2 0 297.399 -0.578 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C[C@@H](O)C[NH3+])CC1 ZINC001160669514 815655826 /nfs/dbraw/zinc/65/58/26/815655826.db2.gz HFNSIHTXIOPGEU-GFCCVEGCSA-N 2 0 285.388 -0.591 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001160687462 815656777 /nfs/dbraw/zinc/65/67/77/815656777.db2.gz DZYHSVRWTXNBFQ-ZDUSSCGKSA-N 3 0 268.405 -0.133 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001160688329 815657310 /nfs/dbraw/zinc/65/73/10/815657310.db2.gz NWCOHUTXJDYFCD-RWMBFGLXSA-N 2 0 266.389 -0.510 20 0 CBADRP CN(Cc1ccon1)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160688552 815657509 /nfs/dbraw/zinc/65/75/09/815657509.db2.gz QGGWNLFRDOCRGE-SNVBAGLBSA-N 2 0 250.302 -0.558 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160688049 815657801 /nfs/dbraw/zinc/65/78/01/815657801.db2.gz MGBGKCIAJJAEPK-NSHDSACASA-N 3 0 274.434 -0.440 20 0 CBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001160695105 815658321 /nfs/dbraw/zinc/65/83/21/815658321.db2.gz ILVLCHRSSJSJTF-SFTQSGBHSA-N 2 0 266.389 -0.334 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160694695 815658865 /nfs/dbraw/zinc/65/88/65/815658865.db2.gz DCLSUAZYCVWLQL-NEPJUHHUSA-N 3 0 266.389 -0.747 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001160694749 815659215 /nfs/dbraw/zinc/65/92/15/815659215.db2.gz DOAJBJCSLKLNNM-PWSUYJOCSA-N 2 0 265.361 -0.263 20 0 CBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)CN1CC[NH2+]CC1 ZINC001160696560 815659246 /nfs/dbraw/zinc/65/92/46/815659246.db2.gz WXDLMZZOICHRGU-LBPRGKRZSA-N 2 0 254.378 -0.650 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001160696570 815659358 /nfs/dbraw/zinc/65/93/58/815659358.db2.gz WZIDIJHENOAQEH-DGCLKSJQSA-N 2 0 254.378 -0.475 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N(C)C[C@@H]1CCC[NH2+]C1 ZINC001160698528 815660312 /nfs/dbraw/zinc/66/03/12/815660312.db2.gz LRYWMHXFHZZHTH-SCRDCRAPSA-N 2 0 298.431 -0.066 20 0 CBADRP N[C@@H](C[NH3+])C(=O)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001160699042 815660553 /nfs/dbraw/zinc/66/05/53/815660553.db2.gz YMKWCYDJKPUBPS-LBPRGKRZSA-N 2 0 274.368 -0.060 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)C[C@H]2C1 ZINC001160704838 815661849 /nfs/dbraw/zinc/66/18/49/815661849.db2.gz ONIQQTKHFFZORO-XQQFMLRXSA-N 3 0 266.389 -0.667 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCO[C@@H](C(F)(F)F)C1 ZINC001160705276 815662286 /nfs/dbraw/zinc/66/22/86/815662286.db2.gz MBYRZHXLQDULGD-RKDXNWHRSA-N 2 0 293.289 -0.415 20 0 CBADRP COC(=O)[C@H](C)N(C)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160718842 815663819 /nfs/dbraw/zinc/66/38/19/815663819.db2.gz ULIPYEWLNRPBDN-YUMQZZPRSA-N 2 0 263.363 -0.975 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001160715400 815663954 /nfs/dbraw/zinc/66/39/54/815663954.db2.gz CEKAVKXHAGSLIY-SNVBAGLBSA-N 2 0 296.371 -0.902 20 0 CBADRP N[C@]1(C(=O)N2CC[NH+]3CCC2CC3)CCC[NH2+]C1 ZINC001160726205 815665316 /nfs/dbraw/zinc/66/53/16/815665316.db2.gz LKABWDPEOATIHV-CYBMUJFWSA-N 2 0 252.362 -0.626 20 0 CBADRP CCN(CC(C)(C)O)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160755369 815666875 /nfs/dbraw/zinc/66/68/75/815666875.db2.gz GMKCMFZKQXIMRZ-SNVBAGLBSA-N 2 0 255.362 -0.585 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCc2nccn2CC1 ZINC001160761187 815668531 /nfs/dbraw/zinc/66/85/31/815668531.db2.gz WYRYAZTXHRTBKM-JTQLQIEISA-N 2 0 283.401 -0.713 20 0 CBADRP [NH3+][C@H](C(=O)N1CCc2nccn2CC1)C1CC[NH2+]CC1 ZINC001160760203 815668584 /nfs/dbraw/zinc/66/85/84/815668584.db2.gz HGFAKTIFIMEGPR-ZDUSSCGKSA-N 2 0 277.372 -0.405 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001160760167 815668644 /nfs/dbraw/zinc/66/86/44/815668644.db2.gz FWOPRBUVQPBSLJ-AEJSXWLSSA-N 2 0 277.315 -0.207 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001160837185 815676139 /nfs/dbraw/zinc/67/61/39/815676139.db2.gz DYIQFNYUZHGBLH-RFQIPJPRSA-N 2 0 297.399 -0.458 20 0 CBADRP COC(=O)C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001160833924 815676223 /nfs/dbraw/zinc/67/62/23/815676223.db2.gz VFSKHMMMJMSJIK-WDEREUQCSA-N 2 0 271.361 -0.146 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)CNC1CC[NH2+]CC1 ZINC001160837221 815676470 /nfs/dbraw/zinc/67/64/70/815676470.db2.gz FLTFARAPONHUQU-CYBMUJFWSA-N 2 0 284.404 -0.883 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001160840833 815677459 /nfs/dbraw/zinc/67/74/59/815677459.db2.gz ZVCGYIKCHDOMGB-CHWSQXEVSA-N 3 0 284.404 -0.898 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001160840646 815678017 /nfs/dbraw/zinc/67/80/17/815678017.db2.gz YYWGCAPICFUDFG-NEPJUHHUSA-N 2 0 281.360 -0.932 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(c2c[nH]cn2)CC1 ZINC001160845693 815678056 /nfs/dbraw/zinc/67/80/56/815678056.db2.gz FVBKKEJSLMFDFU-LBPRGKRZSA-N 2 0 289.383 -0.075 20 0 CBADRP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160866322 815681949 /nfs/dbraw/zinc/68/19/49/815681949.db2.gz AOUJFUXOCIAPMU-RYUDHWBXSA-N 2 0 282.388 -0.416 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+]C[C@@H](O)COC)[NH+](C)C ZINC001160883617 815685457 /nfs/dbraw/zinc/68/54/57/815685457.db2.gz PWVUURLZKNTZIE-VXGBXAGGSA-N 2 0 275.393 -0.570 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N(CCO)CC(F)(F)F ZINC001160909371 815686768 /nfs/dbraw/zinc/68/67/68/815686768.db2.gz SZHFSMOQJQBLNJ-MRVPVSSYSA-N 2 0 281.278 -0.821 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915792 815687242 /nfs/dbraw/zinc/68/72/42/815687242.db2.gz MQGQTGXIXRKFEB-QMMMGPOBSA-N 2 0 271.271 -0.236 20 0 CBADRP [NH3+][C@@H](C(=O)N(CCO)CC(F)(F)F)C1CC[NH2+]CC1 ZINC001160909127 815687251 /nfs/dbraw/zinc/68/72/51/815687251.db2.gz NBGKCOBACQKDJD-SECBINFHSA-N 2 0 283.294 -0.304 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CCO ZINC001160951067 815690002 /nfs/dbraw/zinc/69/00/02/815690002.db2.gz CSZCWDUWTRRGHO-UHFFFAOYSA-N 2 0 287.404 -0.567 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC(F)(F)C1 ZINC001160967170 815691158 /nfs/dbraw/zinc/69/11/58/815691158.db2.gz JWASHMMCAFSJKW-NGZCFLSTSA-N 2 0 275.299 -0.583 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@]13C[NH2+]C[C@@H]1CCN3)C2 ZINC001160962277 815691792 /nfs/dbraw/zinc/69/17/92/815691792.db2.gz BTYVRVMXYKYAFR-CTHBEMJXSA-N 2 0 278.400 -0.652 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@]1(N)CC[NH2+]C1)C2 ZINC001160965202 815691831 /nfs/dbraw/zinc/69/18/31/815691831.db2.gz UOCLFOJCBAUDNB-RTXFEEFZSA-N 2 0 252.362 -0.913 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@]13C[NH2+]C[C@H]1CCN3)C2 ZINC001160962283 815691913 /nfs/dbraw/zinc/69/19/13/815691913.db2.gz BTYVRVMXYKYAFR-QHSBEEBCSA-N 2 0 278.400 -0.652 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001160962166 815691939 /nfs/dbraw/zinc/69/19/39/815691939.db2.gz AAGNVWKCTWMLTM-MBNYWOFBSA-N 3 0 278.400 -0.795 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC(F)(F)C1 ZINC001160969308 815692716 /nfs/dbraw/zinc/69/27/16/815692716.db2.gz ZJPWLODCHIOOAX-JFGNBEQYSA-N 3 0 288.342 -0.620 20 0 CBADRP NC1(C(=O)N2C[C@H]([NH3+])CC(F)(F)C2)CC[NH2+]CC1 ZINC001160971335 815693348 /nfs/dbraw/zinc/69/33/48/815693348.db2.gz FUAUIUXIVPPNGZ-MRVPVSSYSA-N 2 0 262.304 -0.738 20 0 CBADRP O=C(N1CC(O)([C@@H]2CCCC[NH2+]2)C1)[C@@]12CC[C@@H]1C[NH2+]C2 ZINC001160999399 815693430 /nfs/dbraw/zinc/69/34/30/815693430.db2.gz CVFSYSXUUIBFOD-MBNYWOFBSA-N 2 0 279.384 -0.299 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]Cc3ccnn3C2)CC[NH2+]1 ZINC001161014763 815694228 /nfs/dbraw/zinc/69/42/28/815694228.db2.gz NHGJCPOBUWMFCN-MNOVXSKESA-N 2 0 263.345 -0.577 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C)CC2)CC[NH2+]1 ZINC001161014786 815694610 /nfs/dbraw/zinc/69/46/10/815694610.db2.gz OMQNTTHVHCTGLO-GFCCVEGCSA-N 2 0 254.378 -0.556 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161007477 815694646 /nfs/dbraw/zinc/69/46/46/815694646.db2.gz KCPBKYHPFQGRDR-DTWKUNHWSA-N 2 0 277.315 -0.316 20 0 CBADRP C[C@]1(C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)CCC[NH2+]1 ZINC001161008649 815694796 /nfs/dbraw/zinc/69/47/96/815694796.db2.gz QBINQKJMNACRKM-WCQYABFASA-N 2 0 267.373 -0.156 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)CC[NH2+]1 ZINC001161016423 815696736 /nfs/dbraw/zinc/69/67/36/815696736.db2.gz ZLYXLXSKMBRVGO-OLZOCXBDSA-N 2 0 296.415 -0.741 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001161015953 815696805 /nfs/dbraw/zinc/69/68/05/815696805.db2.gz NMMUJTBZEQMLKT-LPWJVIDDSA-N 2 0 267.373 -0.179 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCSC23C[NH2+]C3)CC[NH2+]1 ZINC001161016323 815696886 /nfs/dbraw/zinc/69/68/86/815696886.db2.gz WXDZQBBMDKQYAK-NXEZZACHSA-N 2 0 255.387 -0.098 20 0 CBADRP C[C@@H]1CN(C(=O)c2cccnc2N2CC[NH2+]CC2)CC[NH2+]1 ZINC001161022428 815697593 /nfs/dbraw/zinc/69/75/93/815697593.db2.gz XHYIINUGDTTYTI-GFCCVEGCSA-N 2 0 289.383 -0.075 20 0 CBADRP CC(=O)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161039258 815702023 /nfs/dbraw/zinc/70/20/23/815702023.db2.gz OVETWOCALOWYRG-YPMHNXCESA-N 2 0 282.388 -0.826 20 0 CBADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001161050138 815702657 /nfs/dbraw/zinc/70/26/57/815702657.db2.gz LVFRXIBHBZTVHL-RFQIPJPRSA-N 2 0 280.416 -0.123 20 0 CBADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC001161049908 815702811 /nfs/dbraw/zinc/70/28/11/815702811.db2.gz JHLHXCGAKBXPMA-IJLUTSLNSA-N 2 0 255.362 -0.350 20 0 CBADRP Cn1cc(C[NH2+]CCCNC(=O)[C@@H]2CCCC[N@@H+]2C)nn1 ZINC001161041770 815703258 /nfs/dbraw/zinc/70/32/58/815703258.db2.gz LPARZQKGQBJLSO-ZDUSSCGKSA-N 2 0 294.403 -0.105 20 0 CBADRP CN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161042066 815703913 /nfs/dbraw/zinc/70/39/13/815703913.db2.gz NKVFHMRVSAZLBP-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001161049227 815704421 /nfs/dbraw/zinc/70/44/21/815704421.db2.gz DHCIQKOMOFOTPQ-NWDGAFQWSA-N 3 0 256.394 -0.006 20 0 CBADRP CN(C(=O)[C@@H]1COC2(C[NH2+]C2)CN1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161058532 815705837 /nfs/dbraw/zinc/70/58/37/815705837.db2.gz XGEQWXXAJQKIGC-SRVKXCTJSA-N 2 0 282.388 -0.955 20 0 CBADRP CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)[C@H]1CCCC[C@H]1[NH3+] ZINC001161058171 815705850 /nfs/dbraw/zinc/70/58/50/815705850.db2.gz PAFNLCLFOFLEMV-MXWKQRLJSA-N 2 0 285.392 -0.510 20 0 CBADRP CN(C(=O)[C@]12C[NH2+]C[C@@H]1CCN2)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161058222 815705928 /nfs/dbraw/zinc/70/59/28/815705928.db2.gz PXKDENBZIJLPCF-FMSGJZPZSA-N 2 0 266.389 -0.334 20 0 CBADRP CN(C(=O)[C@]1(N)CCC[NH2+]C1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161062876 815706179 /nfs/dbraw/zinc/70/61/79/815706179.db2.gz KXRLGIYKVZEDOV-MDZLAQPJSA-N 2 0 254.378 -0.204 20 0 CBADRP CN(C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2)C1(C)CC[NH2+]CC1 ZINC001161067749 815706862 /nfs/dbraw/zinc/70/68/62/815706862.db2.gz KXFYDMZYVBJAAN-SMDDNHRTSA-N 2 0 266.389 -0.462 20 0 CBADRP CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161065418 815707475 /nfs/dbraw/zinc/70/74/75/815707475.db2.gz RRRGPZCDVZTDCB-MGPQQGTHSA-N 3 0 297.447 -0.535 20 0 CBADRP CN(C(=O)C1(N)CC[NH2+]CC1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161064956 815707834 /nfs/dbraw/zinc/70/78/34/815707834.db2.gz UGRAJCKQLWISQT-GHMZBOCLSA-N 2 0 254.378 -0.204 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CCN4)C[C@H]21 ZINC001161081444 815709003 /nfs/dbraw/zinc/70/90/03/815709003.db2.gz KHXZYZJDSHXFKM-BHPKHCPMSA-N 2 0 278.400 -0.510 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]21 ZINC001161081141 815709883 /nfs/dbraw/zinc/70/98/83/815709883.db2.gz FVQMJSDBJACPQN-FRRDWIJNSA-N 3 0 268.405 -0.005 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]21 ZINC001161081142 815710063 /nfs/dbraw/zinc/71/00/63/815710063.db2.gz FVQMJSDBJACPQN-RWMBFGLXSA-N 3 0 268.405 -0.005 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C[C@@H]21 ZINC001161081224 815710293 /nfs/dbraw/zinc/71/02/93/815710293.db2.gz HNKNBYPAOQJPMN-KNCOVGOOSA-N 3 0 292.427 -0.262 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C[C@@H]21 ZINC001161082411 815710741 /nfs/dbraw/zinc/71/07/41/815710741.db2.gz ORGMIPDSCRQSOY-UTUOFQBUSA-N 2 0 297.403 -0.685 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@H]21 ZINC001161083189 815710972 /nfs/dbraw/zinc/71/09/72/815710972.db2.gz RCKZHNCCSYYEPG-IJLUTSLNSA-N 3 0 254.378 -0.395 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)C[NH3+])C[C@@H]21 ZINC001161082886 815711829 /nfs/dbraw/zinc/71/18/29/815711829.db2.gz QGXNEEUBIZHCJF-AVGNSLFASA-N 2 0 294.399 -0.511 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)C[NH3+])C[C@H]21 ZINC001161082888 815711884 /nfs/dbraw/zinc/71/18/84/815711884.db2.gz QGXNEEUBIZHCJF-RWMBFGLXSA-N 2 0 294.399 -0.511 20 0 CBADRP CN(CCO)C(=O)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001161107175 815716181 /nfs/dbraw/zinc/71/61/81/815716181.db2.gz BIFLPVYZMHZNPW-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP CC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161131702 815718397 /nfs/dbraw/zinc/71/83/97/815718397.db2.gz SCQHZOLNNVEILH-OLZOCXBDSA-N 2 0 284.404 -0.088 20 0 CBADRP CO[C@@H](C)C1CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161145735 815721831 /nfs/dbraw/zinc/72/18/31/815721831.db2.gz HUKPGJQDWLXEDZ-JOYOIKCWSA-N 2 0 255.362 -0.193 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC001161159020 815722904 /nfs/dbraw/zinc/72/29/04/815722904.db2.gz RREFHPDCOUIBOQ-NSHDSACASA-N 2 0 285.388 -0.028 20 0 CBADRP CC(C)(O)CC[NH+]1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC001161175638 815724391 /nfs/dbraw/zinc/72/43/91/815724391.db2.gz MUYWSMRYSGTOMY-ZDUSSCGKSA-N 2 0 299.415 -0.330 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)C[C@H]2C1 ZINC001161175303 815724506 /nfs/dbraw/zinc/72/45/06/815724506.db2.gz KQRLZLCSCIWZRL-VYDRJRHOSA-N 2 0 292.427 -0.264 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)C[C@H]2C1 ZINC001161174781 815724743 /nfs/dbraw/zinc/72/47/43/815724743.db2.gz FKXZIMCNOBLJDG-XQHKEYJVSA-N 2 0 266.389 -0.524 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CC[NH+](CCC(C)(C)O)CC1 ZINC001161175703 815725200 /nfs/dbraw/zinc/72/52/00/815725200.db2.gz NXLFFRAWFISOJI-NSHDSACASA-N 2 0 257.378 -0.114 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@H]2C1 ZINC001161175282 815725090 /nfs/dbraw/zinc/72/50/90/815725090.db2.gz KEWCUYOHSACMRZ-XQQFMLRXSA-N 3 0 268.405 -0.147 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)C[C@H]2C1 ZINC001161174777 815725253 /nfs/dbraw/zinc/72/52/53/815725253.db2.gz FKXZIMCNOBLJDG-LPWJVIDDSA-N 2 0 266.389 -0.524 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@H]2C1 ZINC001161174607 815725273 /nfs/dbraw/zinc/72/52/73/815725273.db2.gz ATFCGCSIVCTYKD-FDYHWXHSSA-N 2 0 267.373 -0.491 20 0 CBADRP CC(C)(O)CC[NH+]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC001161175636 815725316 /nfs/dbraw/zinc/72/53/16/815725316.db2.gz MUYWSMRYSGTOMY-CYBMUJFWSA-N 2 0 299.415 -0.330 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@H]2C1 ZINC001161176389 815726391 /nfs/dbraw/zinc/72/63/91/815726391.db2.gz TZUHTJQEJDBNCX-RNJOBUHISA-N 2 0 267.373 -0.491 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@]3(N)CC[NH2+]C3)C[C@H]2C1 ZINC001161176265 815726628 /nfs/dbraw/zinc/72/66/28/815726628.db2.gz RPPKPDLUZAHIFK-MBNYWOFBSA-N 2 0 266.389 -0.523 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161204890 815727710 /nfs/dbraw/zinc/72/77/10/815727710.db2.gz FLEVOUPVHBILGQ-KBPBESRZSA-N 2 0 281.400 -0.053 20 0 CBADRP [NH3+]C[C@H](O)C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161208714 815727776 /nfs/dbraw/zinc/72/77/76/815727776.db2.gz WRKHMUPULMEYSX-LBPRGKRZSA-N 2 0 255.362 -0.456 20 0 CBADRP C[C@H]1CN(C(=O)CNC2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC001161229782 815729970 /nfs/dbraw/zinc/72/99/70/815729970.db2.gz VNOJGISEDYMPOH-QWRGUYRKSA-N 2 0 254.378 -0.463 20 0 CBADRP C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)C[C@H](C)[NH2+]1 ZINC001161229785 815730224 /nfs/dbraw/zinc/73/02/24/815730224.db2.gz VYBVRNAKEYJORO-KQXIARHKSA-N 2 0 252.362 -0.853 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001161232130 815730407 /nfs/dbraw/zinc/73/04/07/815730407.db2.gz YILOGXFRLRTELC-ZPFDUUQYSA-N 2 0 284.404 -0.315 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC001161234710 815730809 /nfs/dbraw/zinc/73/08/09/815730809.db2.gz GRMPXIGNRDCQJA-MNOVXSKESA-N 2 0 266.349 -0.492 20 0 CBADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C1 ZINC001161245388 815733446 /nfs/dbraw/zinc/73/34/46/815733446.db2.gz DCSQXKMVSHAXJS-UMVBOHGHSA-N 2 0 298.406 -0.040 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161246640 815733486 /nfs/dbraw/zinc/73/34/86/815733486.db2.gz NFXZOMYNLAVGDK-NSHDSACASA-N 2 0 259.329 -0.461 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161246905 815734258 /nfs/dbraw/zinc/73/42/58/815734258.db2.gz RVPGMBHBTZJFAP-XHVZSJERSA-N 2 0 288.367 -0.625 20 0 CBADRP N[C@@H](C[NH3+])C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161270028 815735157 /nfs/dbraw/zinc/73/51/57/815735157.db2.gz HEEVLDYHRHWSRF-STQMWFEESA-N 2 0 277.372 -0.552 20 0 CBADRP CC(C)(C)CN(C(=O)[C@@H](N)C[NH3+])C1CC[NH2+]CC1 ZINC001161258667 815735930 /nfs/dbraw/zinc/73/59/30/815735930.db2.gz OCWOMKICDIKRNC-NSHDSACASA-N 2 0 256.394 -0.101 20 0 CBADRP Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2C[NH2+]CCN2)CC1 ZINC001161306422 815738640 /nfs/dbraw/zinc/73/86/40/815738640.db2.gz LETSOVINYXQEJK-ZDUSSCGKSA-N 2 0 289.383 -0.400 20 0 CBADRP CCN(C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC001161331905 815741387 /nfs/dbraw/zinc/74/13/87/815741387.db2.gz IFEVSMBJTOEOLR-VNHYZAJKSA-N 3 0 280.416 -0.214 20 0 CBADRP CCN(C(=O)[C@H]1C[NH2+][C@@H]2CCO[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC001161329827 815741536 /nfs/dbraw/zinc/74/15/36/815741536.db2.gz CQZBGLXZZNBRPF-YVECIDJPSA-N 2 0 267.373 -0.036 20 0 CBADRP CCN(C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC001161331904 815741734 /nfs/dbraw/zinc/74/17/34/815741734.db2.gz IFEVSMBJTOEOLR-UMVBOHGHSA-N 3 0 280.416 -0.214 20 0 CBADRP CCN(C(=O)[C@@H]1C[NH2+]CC[C@H]1O)[C@H]1CCC[NH2+]C1 ZINC001161333093 815743099 /nfs/dbraw/zinc/74/30/99/815743099.db2.gz QQALEWKOOZRZRU-QJPTWQEYSA-N 2 0 255.362 -0.443 20 0 CBADRP CCN(C(=O)[C@H]1C[NH2+]CCN1C)[C@H]1CCC[NH2+]C1 ZINC001161340253 815745809 /nfs/dbraw/zinc/74/58/09/815745809.db2.gz QEBNFDYWDHTDAD-NWDGAFQWSA-N 2 0 254.378 -0.510 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N(C(C)C)[C@H]1CC[NH2+]C1 ZINC001161352284 815746127 /nfs/dbraw/zinc/74/61/27/815746127.db2.gz TVTLRHKZWRQBLX-QWRGUYRKSA-N 2 0 257.334 -0.524 20 0 CBADRP CC(C)N(C(=O)[C@@H]([NH3+])Cc1cncn1C)[C@H]1CC[NH2+]C1 ZINC001161352110 815746369 /nfs/dbraw/zinc/74/63/69/815746369.db2.gz RBQAUNRVEMNFFD-AAEUAGOBSA-N 2 0 279.388 -0.111 20 0 CBADRP CC(C)N(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)[C@H]1CC[NH2+]C1 ZINC001161353738 815747318 /nfs/dbraw/zinc/74/73/18/815747318.db2.gz YPDYNRYLBVTEQC-UONOGXRCSA-N 3 0 297.447 -0.664 20 0 CBADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N(C(C)C)[C@H]1CC[NH2+]C1 ZINC001161353580 815747488 /nfs/dbraw/zinc/74/74/88/815747488.db2.gz UCXVZFDOQYBEHD-XQQFMLRXSA-N 2 0 283.372 -0.264 20 0 CBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161380147 815748429 /nfs/dbraw/zinc/74/84/29/815748429.db2.gz JLDHRQRKKSTZLV-IGQOVBAYSA-N 2 0 279.384 -0.225 20 0 CBADRP N[C@]1(C(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)CC[NH2+]C1 ZINC001161387824 815749070 /nfs/dbraw/zinc/74/90/70/815749070.db2.gz FFOVHFPSULPDHA-TZMCWYRMSA-N 2 0 282.388 -1.000 20 0 CBADRP [NH3+]C1CCN([C@H]2CCN(C(=O)C[C@@H]3COCC[NH2+]3)C2)CC1 ZINC001161381662 815749167 /nfs/dbraw/zinc/74/91/67/815749167.db2.gz YUROKFYXXRQNSI-KGLIPLIRSA-N 2 0 296.415 -0.611 20 0 CBADRP N[C@@]1(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)CCC[NH2+]C1 ZINC001161412328 815751041 /nfs/dbraw/zinc/75/10/41/815751041.db2.gz JMLSSOPGLJOKOT-UZWSLXQKSA-N 2 0 252.362 -0.737 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161413073 815751098 /nfs/dbraw/zinc/75/10/98/815751098.db2.gz NZIFHEFMJHNTBZ-CYDGBPFRSA-N 3 0 268.405 -0.101 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412335 815751120 /nfs/dbraw/zinc/75/11/20/815751120.db2.gz JOAWGSLRKQTUDX-DGAVXFQQSA-N 2 0 296.415 -0.184 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161412770 815751174 /nfs/dbraw/zinc/75/11/74/815751174.db2.gz MLCYJFGIGOHNIO-BJDJZHNGSA-N 3 0 254.378 -0.362 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CNC3CC[NH2+]CC3)C[C@@H]12 ZINC001161413845 815751279 /nfs/dbraw/zinc/75/12/79/815751279.db2.gz RKMHQPXEGSAFCY-RAIGVLPGSA-N 2 0 266.389 -0.476 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CCN4)C[C@@H]12 ZINC001161413350 815751469 /nfs/dbraw/zinc/75/14/69/815751469.db2.gz PJCPUGJKSURKSW-OJROKELRSA-N 2 0 264.373 -0.866 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412040 815751593 /nfs/dbraw/zinc/75/15/93/815751593.db2.gz FKLXWOSKLZKZHL-GMNPVEAJSA-N 2 0 263.345 -0.525 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@]34CC[C@@H](N3)[C@H]([NH3+])C4)C[C@H]12 ZINC001161412425 815751769 /nfs/dbraw/zinc/75/17/69/815751769.db2.gz KGSFZIPCGGQUNC-AIUQGNKQSA-N 2 0 264.373 -0.596 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161413039 815751981 /nfs/dbraw/zinc/75/19/81/815751981.db2.gz NRBIOUBTNXPCLO-YFKTTZPYSA-N 2 0 280.372 -0.868 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412771 815752064 /nfs/dbraw/zinc/75/20/64/815752064.db2.gz MLCYJFGIGOHNIO-QCNOEVLYSA-N 3 0 254.378 -0.362 20 0 CBADRP C[NH+]1CCN(c2cccc(-n3cc(C[NH3+])cnc3=N)n2)CC1 ZINC001161415844 815752864 /nfs/dbraw/zinc/75/28/64/815752864.db2.gz NLMGQVZPSOYEOA-UHFFFAOYSA-N 2 0 299.382 -0.043 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CN3CCCC[C@H]([NH3+])C3=O)C[C@H]12 ZINC001161414335 815753119 /nfs/dbraw/zinc/75/31/19/815753119.db2.gz VCQYMFJEBGHDJJ-XQHKEYJVSA-N 2 0 294.399 -0.478 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161423753 815753552 /nfs/dbraw/zinc/75/35/52/815753552.db2.gz MDNFWGMPAOQKQX-STQMWFEESA-N 2 0 282.388 -0.463 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161423752 815753872 /nfs/dbraw/zinc/75/38/72/815753872.db2.gz MDNFWGMPAOQKQX-OLZOCXBDSA-N 2 0 282.388 -0.463 20 0 CBADRP N=c1ncc(C[NH3+])cn1-c1cc(C2C[NH2+]C2)ncn1 ZINC001161421173 815753968 /nfs/dbraw/zinc/75/39/68/815753968.db2.gz QMVIYLNESPQYMX-UHFFFAOYSA-N 2 0 257.301 -0.713 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161424133 815754631 /nfs/dbraw/zinc/75/46/31/815754631.db2.gz ZHECVDQAIBQYDK-XQQFMLRXSA-N 2 0 296.415 -0.219 20 0 CBADRP [NH3+][C@@H](CC(=O)OC1CCCCC1)C(=O)N1CC[NH2+]C1 ZINC001161417366 815754692 /nfs/dbraw/zinc/75/46/92/815754692.db2.gz TZMYMUWBVIHAAP-NSHDSACASA-N 2 0 269.345 -0.031 20 0 CBADRP [NH3+][C@@H](C(=O)N1CC[N@@H+]2CC[C@H]2C1)C1CC[NH2+]CC1 ZINC001161424146 815755415 /nfs/dbraw/zinc/75/54/15/815755415.db2.gz ZQXMKGRRDNCSEX-NWDGAFQWSA-N 3 0 252.362 -0.770 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@]12C[C@@H]1CC[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC001161448250 815755605 /nfs/dbraw/zinc/75/56/05/815755605.db2.gz AFKDNRQHHXJKPZ-KCQAQPDRSA-N 3 0 280.416 -0.119 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161443318 815755732 /nfs/dbraw/zinc/75/57/32/815755732.db2.gz PZDLAFLEBWMEEF-OLZOCXBDSA-N 4 0 285.436 -0.805 20 0 CBADRP C[NH+](C)CCN(C(=O)C[NH2+]CCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161444470 815755753 /nfs/dbraw/zinc/75/57/53/815755753.db2.gz ILFDTIBAKDMWFS-ZDUSSCGKSA-N 4 0 285.436 -0.933 20 0 CBADRP C[NH+](C)CCN(C(=O)C1(N)CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001161444466 815755777 /nfs/dbraw/zinc/75/57/77/815755777.db2.gz IJPFEZRTMPQHMO-ZDUSSCGKSA-N 3 0 297.447 -0.791 20 0 CBADRP COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@@H]1C ZINC001161459606 815756980 /nfs/dbraw/zinc/75/69/80/815756980.db2.gz RHKNSFRNDRZZSF-GUBZILKMSA-N 2 0 257.334 -0.680 20 0 CBADRP COC(=O)[C@H]1CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C[C@@H]1C ZINC001161459194 815757072 /nfs/dbraw/zinc/75/70/72/815757072.db2.gz ACHHOXPPEVIVTF-ZMLRMANQSA-N 2 0 283.372 -0.419 20 0 CBADRP COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@@H]1C ZINC001161459684 815757432 /nfs/dbraw/zinc/75/74/32/815757432.db2.gz URLMNVGBNBAIEX-GUBZILKMSA-N 2 0 289.401 -0.727 20 0 CBADRP COC(=O)[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C[C@@H]1C ZINC001161459887 815757694 /nfs/dbraw/zinc/75/76/94/815757694.db2.gz YPHQRGYDSJJZPP-OZTPJHRESA-N 2 0 295.383 -0.547 20 0 CBADRP C[NH2+]CCC(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001161481640 815758352 /nfs/dbraw/zinc/75/83/52/815758352.db2.gz YPOAZBUOXKLVAN-ZWNOBZJWSA-N 2 0 269.345 -0.651 20 0 CBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)C1([NH3+])CC1)CC2 ZINC001161481912 815758939 /nfs/dbraw/zinc/75/89/39/815758939.db2.gz ZLWLOJRDTQQMBP-BXKDBHETSA-N 2 0 267.329 -0.769 20 0 CBADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001161488095 815760490 /nfs/dbraw/zinc/76/04/90/815760490.db2.gz KAJFLCSCCXEVPO-SMDDNHRTSA-N 2 0 282.388 -0.477 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cccc(O)c2)C[C@@H]1[NH3+] ZINC001161491531 815761171 /nfs/dbraw/zinc/76/11/71/815761171.db2.gz FJPZVUPGYYWCFW-RWMBFGLXSA-N 2 0 279.340 -0.554 20 0 CBADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001161489969 815761211 /nfs/dbraw/zinc/76/12/11/815761211.db2.gz SMZYQDBMRHYWFT-DGCLKSJQSA-N 2 0 265.361 -0.133 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])C2Cc3ccccc3C2)C[C@@H]1[NH3+] ZINC001161492317 815761231 /nfs/dbraw/zinc/76/12/31/815761231.db2.gz NLSMWWFPJDVVBW-ZNMIVQPWSA-N 2 0 289.379 -0.087 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)(C)C)CCN2)C[C@@H]1[NH3+] ZINC001161493072 815761697 /nfs/dbraw/zinc/76/16/97/815761697.db2.gz BJAXLNSKGQKBBG-QJPTWQEYSA-N 2 0 284.404 -0.757 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C[C@@H]1[NH3+] ZINC001161491986 815761911 /nfs/dbraw/zinc/76/19/11/815761911.db2.gz LHFQYLSOZOTYJT-SDDRHHMPSA-N 3 0 272.393 -0.770 20 0 CBADRP C[N@H+](C1CN(C(=O)[C@H]2CC[NH2+]C[C@@H]2F)C1)[C@H]1CCOC1 ZINC001161498609 815763527 /nfs/dbraw/zinc/76/35/27/815763527.db2.gz GMQSSKDQHSJJOM-DRZSPHRISA-N 2 0 285.363 -0.135 20 0 CBADRP C[N@H+](C1CN(C(=O)[C@H]2CC[C@@H]2[NH3+])C1)[C@H]1CCOC1 ZINC001161500072 815763640 /nfs/dbraw/zinc/76/36/40/815763640.db2.gz UETGZKUNVSEGNZ-DLOVCJGASA-N 2 0 253.346 -0.345 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)CC12COC2 ZINC001161509861 815764436 /nfs/dbraw/zinc/76/44/36/815764436.db2.gz LSILJHRATLYYSI-GUBZILKMSA-N 2 0 257.309 -0.737 20 0 CBADRP [NH3+][C@H](C(=O)N1C[C@@H]([NH3+])C2(COC2)C1)C1CCC(O)CC1 ZINC001161511011 815764799 /nfs/dbraw/zinc/76/47/99/815764799.db2.gz UUCYTCTWAWOANG-HCWSGVFWSA-N 2 0 283.372 -0.949 20 0 CBADRP C[N@H+](C1CN(C(=O)[C@]2(C)CC[NH2+]C2)C1)[C@H]1CCOC1 ZINC001161501044 815765018 /nfs/dbraw/zinc/76/50/18/815765018.db2.gz XEBAEQBZIDPNAT-SMDDNHRTSA-N 2 0 267.373 -0.083 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC12COC2 ZINC001161511113 815765067 /nfs/dbraw/zinc/76/50/67/815765067.db2.gz WQLMZZCSZAFQRC-NEPJUHHUSA-N 3 0 294.399 -0.953 20 0 CBADRP CC[C@@]1(C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)CCC[NH2+]C1 ZINC001161510875 815765083 /nfs/dbraw/zinc/76/50/83/815765083.db2.gz UHTXPPFCKFJLEJ-DGCLKSJQSA-N 2 0 267.373 -0.048 20 0 CBADRP C[NH2+][C@H](C(=O)N1C[C@H]([NH3+])C2(COC2)C1)[C@@H](C)OC(C)(C)C ZINC001161509830 815765224 /nfs/dbraw/zinc/76/52/24/815765224.db2.gz LHJXMOYDLSODAQ-WOPDTQHZSA-N 2 0 299.415 -0.036 20 0 CBADRP CC1(C)[C@H]2[C@@H]1C[NH2+][C@@H]2C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161507773 815765277 /nfs/dbraw/zinc/76/52/77/815765277.db2.gz AJJXOKADBXIMOH-VLEAKVRGSA-N 2 0 265.357 -0.584 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161510855 815765352 /nfs/dbraw/zinc/76/53/52/815765352.db2.gz TXXBWEBPOFWJBD-WDEREUQCSA-N 3 0 270.377 -0.981 20 0 CBADRP Cc1nc2c(o1)CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001161524617 815765983 /nfs/dbraw/zinc/76/59/83/815765983.db2.gz YATXBDOODZVGLI-VIFPVBQESA-N 2 0 284.385 -0.113 20 0 CBADRP Cc1nc2c(o1)CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C2 ZINC001161522530 815766687 /nfs/dbraw/zinc/76/66/87/815766687.db2.gz DLNQEZULSBCFNG-SECBINFHSA-N 2 0 252.318 -0.066 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001161530410 815768568 /nfs/dbraw/zinc/76/85/68/815768568.db2.gz YTYJUHBQJKHYGX-WYFGTUCQSA-N 2 0 270.377 -0.576 20 0 CBADRP C[C@]1(C(=O)N2CC[NH2+]C3(CC3)C2)CC[NH2+]C[C@@H]1O ZINC001161545786 815769139 /nfs/dbraw/zinc/76/91/39/815769139.db2.gz ZRWMZJQBBRAYRB-JQWIXIFHSA-N 2 0 253.346 -0.689 20 0 CBADRP [NH3+]C1(CC(=O)N2CC[NH2+]C3(CC3)C2)CCOCC1 ZINC001161550237 815769208 /nfs/dbraw/zinc/76/92/08/815769208.db2.gz FGSHNEPEBPBZGO-UHFFFAOYSA-N 2 0 253.346 -0.151 20 0 CBADRP O=C([C@H]1CCC2(C[NH2+]C2)O1)N1CC[NH2+]C2(CC2)C1 ZINC001161545731 815769531 /nfs/dbraw/zinc/76/95/31/815769531.db2.gz ZAXHWYSZCGQYFY-SNVBAGLBSA-N 2 0 251.330 -0.528 20 0 CBADRP O=C([C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)N1CC[NH2+]C2(CC2)C1 ZINC001161545160 815769594 /nfs/dbraw/zinc/76/95/94/815769594.db2.gz OFRFTNQFYXKFCU-SDDRHHMPSA-N 2 0 265.357 -0.282 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550888 815771452 /nfs/dbraw/zinc/77/14/52/815771452.db2.gz SUPSCKNRYGRSPH-LBPRGKRZSA-N 2 0 282.388 -0.416 20 0 CBADRP COC(=O)CC[C@@H]1COCCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001161567661 815771936 /nfs/dbraw/zinc/77/19/36/815771936.db2.gz ZOTBOZDHADDPNP-GHMZBOCLSA-N 2 0 287.360 -0.767 20 0 CBADRP COCCOC1CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161572515 815773585 /nfs/dbraw/zinc/77/35/85/815773585.db2.gz RISDCIOYDICLIP-GFCCVEGCSA-N 2 0 271.361 -0.813 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])c1ccc2c(n1)C[NH2+]CC2 ZINC001162123809 815802997 /nfs/dbraw/zinc/80/29/97/815802997.db2.gz DUTRNSYGQRRRNE-UHFFFAOYSA-N 2 0 270.358 -0.548 20 0 CBADRP C[C@H]1CN(c2ccc(-n3cnc(C[NH3+])c3)nn2)CC[NH2+]1 ZINC001162296323 815811227 /nfs/dbraw/zinc/81/12/27/815811227.db2.gz FEZNFHAJGQWIJU-JTQLQIEISA-N 2 0 273.344 -0.081 20 0 CBADRP C[C@H]1CN(c2ccc(-n3nccc3C[NH3+])nn2)CC[NH2+]1 ZINC001162591130 815835301 /nfs/dbraw/zinc/83/53/01/815835301.db2.gz NGTGQCOXXUAROD-JTQLQIEISA-N 2 0 273.344 -0.081 20 0 CBADRP [NH3+]Cc1ncc(NCc2nnn3c2C[NH2+]CCC3)cn1 ZINC001162976793 815851921 /nfs/dbraw/zinc/85/19/21/815851921.db2.gz ADLZBLKDWKNFBQ-UHFFFAOYSA-N 2 0 274.332 -0.368 20 0 CBADRP c1cc(C2C[NH2+]C2)nc(NC[C@]23C[NH2+]C[C@H]2COC3)n1 ZINC001163152715 815862888 /nfs/dbraw/zinc/86/28/88/815862888.db2.gz DWIIQONRNMGCFL-FZMZJTMJSA-N 2 0 275.356 -0.189 20 0 CBADRP [NH3+]Cc1ncc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)cn1 ZINC001163172468 815863179 /nfs/dbraw/zinc/86/31/79/815863179.db2.gz SINQEVHAMBYWBV-YUSALJHKSA-N 2 0 263.345 -0.028 20 0 CBADRP c1nc(O[C@H]2CC[NH2+]C2)ncc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163202066 815864555 /nfs/dbraw/zinc/86/45/55/815864555.db2.gz FFJQZIVQKLTLDJ-SCDSUCTJSA-N 2 0 291.355 -0.240 20 0 CBADRP C[NH2+]Cc1cc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)ncn1 ZINC001163234899 815865899 /nfs/dbraw/zinc/86/58/99/815865899.db2.gz CHTKOVVTHCIQCI-SKDRFNHKSA-N 2 0 262.317 -0.814 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C(N)=O ZINC001163231605 815865969 /nfs/dbraw/zinc/86/59/69/815865969.db2.gz FXUBATMHXRMZEP-WCQYABFASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)C(N)=O ZINC001163231600 815866103 /nfs/dbraw/zinc/86/61/03/815866103.db2.gz FXUBATMHXRMZEP-AAEUAGOBSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH2+]Cc1cc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)ncn1 ZINC001163234893 815866724 /nfs/dbraw/zinc/86/67/24/815866724.db2.gz CHTKOVVTHCIQCI-BXKDBHETSA-N 2 0 262.317 -0.814 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cc3c(nn2)C[NH2+]C3)N1 ZINC001163238905 815869090 /nfs/dbraw/zinc/86/90/90/815869090.db2.gz PRVKHOUWUDAZNV-JOYOIKCWSA-N 2 0 260.301 -0.930 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc3c(n2)C[NH2+]CC3)N1 ZINC001163239991 815870392 /nfs/dbraw/zinc/87/03/92/815870392.db2.gz WWEXIHCGWYDLNV-FZMZJTMJSA-N 2 0 273.340 -0.283 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cnc3c(c2)C[NH2+]CC3)N1 ZINC001163246715 815873244 /nfs/dbraw/zinc/87/32/44/815873244.db2.gz BCEDXUDPNMGDPH-TZMCWYRMSA-N 2 0 273.340 -0.283 20 0 CBADRP C[NH2+]CCN(C)c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001163718736 815897592 /nfs/dbraw/zinc/89/75/92/815897592.db2.gz CFLGZRLRSULSOH-UHFFFAOYSA-N 2 0 264.377 -0.116 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCNC(=O)CCC[NH+](C)C)C1 ZINC001293072325 816500551 /nfs/dbraw/zinc/50/05/51/816500551.db2.gz XZZABBYSALLUCV-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CN(CCOCC[N@H+](C)CCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001316767626 816878297 /nfs/dbraw/zinc/87/82/97/816878297.db2.gz UAPUGZGKIVAJOP-ZDUSSCGKSA-N 2 0 287.404 -0.663 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001316791515 816879319 /nfs/dbraw/zinc/87/93/19/816879319.db2.gz PZNFMLJTSUXKFT-UTUOFQBUSA-N 2 0 257.378 -0.102 20 0 CBADRP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC(N)=O ZINC001316886689 816896872 /nfs/dbraw/zinc/89/68/72/816896872.db2.gz HQKOXAIAUCMDJB-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](C[NH2+]CCO)C2)C1 ZINC001317161150 816937197 /nfs/dbraw/zinc/93/71/97/816937197.db2.gz AIAZCGSPTCEJOO-CHWSQXEVSA-N 2 0 269.389 -0.241 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CCCO ZINC001317267493 816955091 /nfs/dbraw/zinc/95/50/91/816955091.db2.gz INCLUWGOUOEEBZ-LLVKDONJSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]C[C@H](C)O ZINC001317281511 816957683 /nfs/dbraw/zinc/95/76/83/816957683.db2.gz DFIJAUWGJUCXTF-MNOVXSKESA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCO ZINC001317393166 816971137 /nfs/dbraw/zinc/97/11/37/816971137.db2.gz NHWKTVKUEVFUOA-IJLUTSLNSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCO ZINC001317407957 816974204 /nfs/dbraw/zinc/97/42/04/816974204.db2.gz ZUTXBIZZPSODCL-VXGBXAGGSA-N 2 0 257.378 -0.195 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+](CCCO)C2CC2)C1 ZINC001317562370 817009910 /nfs/dbraw/zinc/00/99/10/817009910.db2.gz ZXLPNORLZCLKPG-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP COC[C@@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001317574594 817017315 /nfs/dbraw/zinc/01/73/15/817017315.db2.gz ZCLUQMMPYBMXHH-RYUDHWBXSA-N 2 0 273.377 -0.864 20 0 CBADRP CN(CC[NH2+]CC(=O)NC1CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001317652513 817040075 /nfs/dbraw/zinc/04/00/75/817040075.db2.gz ASZBCVGDNXDREI-UHFFFAOYSA-N 2 0 294.399 -0.591 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[NH2+]CCO ZINC001317670166 817044135 /nfs/dbraw/zinc/04/41/35/817044135.db2.gz QRVJUCOKDSVXPG-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP COCCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001318241699 817089631 /nfs/dbraw/zinc/08/96/31/817089631.db2.gz ZQLIKDIRYMZESS-UONOGXRCSA-N 2 0 299.415 -0.066 20 0 CBADRP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCO ZINC001319956960 817259331 /nfs/dbraw/zinc/25/93/31/817259331.db2.gz HAYIPCDGOIDZRT-NEPJUHHUSA-N 2 0 257.378 -0.339 20 0 CBADRP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCO ZINC001319955799 817259835 /nfs/dbraw/zinc/25/98/35/817259835.db2.gz AUKMKKFVVCYYLZ-GFCCVEGCSA-N 2 0 257.378 -0.195 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC1CCC1 ZINC001320199363 817288686 /nfs/dbraw/zinc/28/86/86/817288686.db2.gz BMYSPEXWDJQMJX-STQMWFEESA-N 2 0 269.389 -0.053 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC1CCC1 ZINC001320199357 817288956 /nfs/dbraw/zinc/28/89/56/817288956.db2.gz BMYSPEXWDJQMJX-OLZOCXBDSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@H](CC[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)CC[NH+](C)C ZINC001320542832 817351878 /nfs/dbraw/zinc/35/18/78/817351878.db2.gz LPWKNUBIEGMOBK-GHMZBOCLSA-N 2 0 298.387 -0.772 20 0 CBADRP C[C@H](CC[NH2+]CC(N)=O)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001320550978 817354572 /nfs/dbraw/zinc/35/45/72/817354572.db2.gz YREVUFCEYBBIRA-GHMZBOCLSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@@H](CC[NH2+]Cc1cnnn1C)NC(=O)C[NH+]1CCCC1 ZINC001320640143 817365957 /nfs/dbraw/zinc/36/59/57/817365957.db2.gz NIOPASCMERAHJY-LBPRGKRZSA-N 2 0 294.403 -0.105 20 0 CBADRP CCN(CC[NH2+]CC(N)=O)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001320843693 817403026 /nfs/dbraw/zinc/40/30/26/817403026.db2.gz IVJUCFVOHKHKAE-GFCCVEGCSA-N 2 0 272.393 -0.504 20 0 CBADRP C[C@H](O)C[NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001321065168 817437900 /nfs/dbraw/zinc/43/79/00/817437900.db2.gz RFUUWJHITIGEBN-GLKJWWJJSA-N 2 0 281.400 -0.029 20 0 CBADRP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001321119710 817444848 /nfs/dbraw/zinc/44/48/48/817444848.db2.gz BTRCRANVUDNQGC-DFPOMNKCSA-N 2 0 282.388 -0.394 20 0 CBADRP COCC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001321393691 817494593 /nfs/dbraw/zinc/49/45/93/817494593.db2.gz UJTJGDCEFMKREE-MVZIDQBPSA-N 2 0 255.362 -0.154 20 0 CBADRP CNC(=O)CN1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188956430 823726436 /nfs/dbraw/zinc/72/64/36/823726436.db2.gz JLEQJOYMRZQVDO-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP [NH3+]C[C@@H]1CCCCN(S(=O)(=O)[C@H]2CC[NH2+]C2)C1 ZINC001238983867 825580183 /nfs/dbraw/zinc/58/01/83/825580183.db2.gz NCLIPEGENXFIKQ-QWRGUYRKSA-N 2 0 261.391 -0.261 20 0 CBADRP C[C@@H]([NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001163822088 819855106 /nfs/dbraw/zinc/85/51/06/819855106.db2.gz RTASLVNNKIDFAS-VXGBXAGGSA-N 2 0 296.415 -0.170 20 0 CBADRP COC(=O)[C@H](C[NH3+])Cc1ccc(N(CC[NH3+])CCO)cc1 ZINC001163836633 819857313 /nfs/dbraw/zinc/85/73/13/819857313.db2.gz XNNQQVVGUFOXET-ZDUSSCGKSA-N 2 0 295.383 -0.266 20 0 CBADRP Cc1cc(C[NH3+])nn1-c1ccnc(N2CC[NH2+]CC2)n1 ZINC001163978248 819877554 /nfs/dbraw/zinc/87/75/54/819877554.db2.gz USMQXHCYJTVXJE-UHFFFAOYSA-N 2 0 273.344 -0.161 20 0 CBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCO)C1 ZINC001164536692 819922972 /nfs/dbraw/zinc/92/29/72/819922972.db2.gz WEVPKHLPUCRQOZ-GFCCVEGCSA-N 2 0 273.377 -0.816 20 0 CBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCCO)C1 ZINC001164535979 819923094 /nfs/dbraw/zinc/92/30/94/819923094.db2.gz IXDOKHMGBQFNQN-CYBMUJFWSA-N 2 0 287.404 -0.426 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CC(N)=O)CC2)CC[N@@H+]1C ZINC001164582729 819931505 /nfs/dbraw/zinc/93/15/05/819931505.db2.gz ODTHCLPHHGNDIX-VXGBXAGGSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCCC[NH2+][C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001164574764 819931753 /nfs/dbraw/zinc/93/17/53/819931753.db2.gz ZFOOKNLWYJCKGA-RWMBFGLXSA-N 2 0 296.415 -0.299 20 0 CBADRP CN(C)C(=O)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165254011 819944365 /nfs/dbraw/zinc/94/43/65/819944365.db2.gz MGASCRQLXMNSMK-UHFFFAOYSA-N 2 0 284.404 -0.488 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165254615 819944955 /nfs/dbraw/zinc/94/49/55/819944955.db2.gz RLKFPEGARFTIOM-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP Cc1cnc(N2CC(=O)NC3(CC[NH2+]CC3)C2)c(C[NH3+])c1 ZINC001165256097 819945132 /nfs/dbraw/zinc/94/51/32/819945132.db2.gz KNAQHOWLSBFSTQ-UHFFFAOYSA-N 2 0 289.383 -0.093 20 0 CBADRP Clc1nc2c(c(N3CCOCC34C[NH2+]C4)n1)CC[NH2+]C2 ZINC001165287344 819949878 /nfs/dbraw/zinc/94/98/78/819949878.db2.gz CKIYJZCCTGUNQO-UHFFFAOYSA-N 2 0 295.774 -0.046 20 0 CBADRP O=C1NCCN(c2cc(-n3ccnc3)cc[nH+]2)C12C[NH2+]C2 ZINC001165301202 819953561 /nfs/dbraw/zinc/95/35/61/819953561.db2.gz SHUKDMLUKRGWBP-UHFFFAOYSA-N 2 0 284.323 -0.455 20 0 CBADRP O=C1NCCN(c2cc3[nH]ccc3c[nH+]2)C12C[NH2+]C2 ZINC001165298594 819953673 /nfs/dbraw/zinc/95/36/73/819953673.db2.gz ZBWKYOIJRPMNGZ-UHFFFAOYSA-N 2 0 257.297 -0.159 20 0 CBADRP [NH3+]C1CCN(c2ccnc(N3C[C@@H]4C[C@]4([NH3+])C3)n2)CC1 ZINC001165312796 819956195 /nfs/dbraw/zinc/95/61/95/819956195.db2.gz BPSKVJWLSONFMV-HZMBPMFUSA-N 2 0 274.372 -0.059 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)CCC[NH+](C)C)c1nnnn1C ZINC001165359541 819956955 /nfs/dbraw/zinc/95/69/55/819956955.db2.gz DLCWSTXTZVYIAW-LLVKDONJSA-N 2 0 297.407 -0.291 20 0 CBADRP C[NH+](C)CCCC(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001165359760 819957840 /nfs/dbraw/zinc/95/78/40/819957840.db2.gz IRVCXPWKKPOYCL-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165366962 819958137 /nfs/dbraw/zinc/95/81/37/819958137.db2.gz JHUCJEIJWYZJDJ-UHFFFAOYSA-N 2 0 272.393 -0.440 20 0 CBADRP c1ncc(N2CCC[C@H]3[NH2+]C[C@H]32)nc1N1CC[NH2+]CC1 ZINC001165390165 819959782 /nfs/dbraw/zinc/95/97/82/819959782.db2.gz CXDMGIRFGKLKSR-VXGBXAGGSA-N 2 0 274.372 -0.173 20 0 CBADRP CN(C[C@H](O)CO)c1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001165535765 819973144 /nfs/dbraw/zinc/97/31/44/819973144.db2.gz RDKNDXLGGNXAMF-LBPRGKRZSA-N 2 0 280.372 -0.202 20 0 CBADRP CN(C[C@@H](O)CO)c1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001165535764 819973514 /nfs/dbraw/zinc/97/35/14/819973514.db2.gz RDKNDXLGGNXAMF-GFCCVEGCSA-N 2 0 280.372 -0.202 20 0 CBADRP C[C@H](O)C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165776913 819982580 /nfs/dbraw/zinc/98/25/80/819982580.db2.gz OECZPJUITVINIP-NSHDSACASA-N 2 0 257.378 -0.195 20 0 CBADRP CN(C(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C)C1CC1 ZINC001165794273 819983148 /nfs/dbraw/zinc/98/31/48/819983148.db2.gz PSFVGEJWVCCJAH-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CCN1CC[C@H]([NH2+]CCCNC(=O)CC[NH+](C)C)C1=O ZINC001165781610 819983160 /nfs/dbraw/zinc/98/31/60/819983160.db2.gz VSGWZKDIZKPKRB-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165781093 819983467 /nfs/dbraw/zinc/98/34/67/819983467.db2.gz FSTDNEQMDHRFME-LLVKDONJSA-N 2 0 261.366 -0.959 20 0 CBADRP Cn1nncc1C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165793876 819983511 /nfs/dbraw/zinc/98/35/11/819983511.db2.gz FKBPRRPCRULBOD-UHFFFAOYSA-N 2 0 268.365 -0.637 20 0 CBADRP CCc1nnc(C[NH2+]CCCNC(=O)CC[NH+](C)C)n1C ZINC001165794198 819983546 /nfs/dbraw/zinc/98/35/46/819983546.db2.gz MCQJMUZSXJXFNV-UHFFFAOYSA-N 2 0 296.419 -0.075 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[NH2+]CC(=O)NCC1CCC1 ZINC001165794207 819983860 /nfs/dbraw/zinc/98/38/60/819983860.db2.gz MJOOOTJAEYKJOW-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001166004464 819988523 /nfs/dbraw/zinc/98/85/23/819988523.db2.gz OKXDSNOVFHWCNM-CQSZACIVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+]1CCN(c2cc(-n3ccnc3CC[NH3+])ncn2)CC1 ZINC001166276427 819995847 /nfs/dbraw/zinc/99/58/47/819995847.db2.gz KKRCSZZJDKKXIP-UHFFFAOYSA-N 2 0 287.371 -0.085 20 0 CBADRP [NH3+]CCc1nccn1-c1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001166352042 819998654 /nfs/dbraw/zinc/99/86/54/819998654.db2.gz YGQGWDDRADWEAE-NSHDSACASA-N 2 0 274.328 -0.096 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001166633677 820008163 /nfs/dbraw/zinc/00/81/63/820008163.db2.gz JIYMUSPCSDDUFO-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001166627459 820008483 /nfs/dbraw/zinc/00/84/83/820008483.db2.gz WBLRTPNJDPSHSD-GFCCVEGCSA-N 2 0 294.403 -0.105 20 0 CBADRP C[C@H](O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166626608 820009160 /nfs/dbraw/zinc/00/91/60/820009160.db2.gz HRTSWBGPILZDMA-RYUDHWBXSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001166626988 820010246 /nfs/dbraw/zinc/01/02/46/820010246.db2.gz NMBJXBYWAKESAD-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166678456 820017198 /nfs/dbraw/zinc/01/71/98/820017198.db2.gz VOBFFLPUJUYUHJ-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001166694019 820017367 /nfs/dbraw/zinc/01/73/67/820017367.db2.gz UNHMXORFNSQKJM-YPMHNXCESA-N 2 0 294.403 -0.391 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001166709434 820018274 /nfs/dbraw/zinc/01/82/74/820018274.db2.gz ZSDFDRXFKIMRLY-QWRGUYRKSA-N 2 0 295.391 -0.996 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1ncnn1C ZINC001166708444 820018312 /nfs/dbraw/zinc/01/83/12/820018312.db2.gz QPSPHJJGKGGXMY-VXGBXAGGSA-N 2 0 294.403 -0.391 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1cn(C)nn1 ZINC001166715141 820018437 /nfs/dbraw/zinc/01/84/37/820018437.db2.gz SMVMADNZJDLUJE-AAEUAGOBSA-N 2 0 294.403 -0.391 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1cnnn1C ZINC001166708640 820018526 /nfs/dbraw/zinc/01/85/26/820018526.db2.gz VLMIJRITPMPCQC-DGCLKSJQSA-N 2 0 294.403 -0.391 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC1CC1)[NH+](C)C ZINC001166858551 820041672 /nfs/dbraw/zinc/04/16/72/820041672.db2.gz WBCNBYQIBJTKDE-LBPRGKRZSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](COCC(=O)NCCC[NH2+]CCO)[NH+]1CCCC1 ZINC001166924019 820044301 /nfs/dbraw/zinc/04/43/01/820044301.db2.gz GHAFSCLFBCFWFX-CYBMUJFWSA-N 2 0 287.404 -0.425 20 0 CBADRP [NH3+][C@@H]1CN(c2ncnc3c2CC[NH2+]CC3)C[C@@H]1F ZINC001166927935 820047279 /nfs/dbraw/zinc/04/72/79/820047279.db2.gz LSJOHIJUVSTCID-VHSXEESVSA-N 2 0 251.309 -0.350 20 0 CBADRP CN(C[C@@H]1CC[NH2+]C1)c1cncc(N2CC[NH2+]CC2)n1 ZINC001166955887 820052467 /nfs/dbraw/zinc/05/24/67/820052467.db2.gz JTCMDIMUOFKFOO-GFCCVEGCSA-N 2 0 276.388 -0.068 20 0 CBADRP C[NH+](C)CCC(=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001166971145 820058830 /nfs/dbraw/zinc/05/88/30/820058830.db2.gz IZSAIHIULUFBNJ-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[C@@H](C(=O)NCCC1(C[NH2+]CC(N)=O)CC1)[NH+](C)C ZINC001167260707 820077840 /nfs/dbraw/zinc/07/78/40/820077840.db2.gz FROYMDRVTRBXNU-NSHDSACASA-N 2 0 284.404 -0.312 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001167627186 820108443 /nfs/dbraw/zinc/10/84/43/820108443.db2.gz LFGMWRPXSUNHIM-GFCCVEGCSA-N 2 0 284.404 -0.170 20 0 CBADRP [NH3+]CCc1nnn(-c2nc(Cl)nc3c2C[NH2+]C3)n1 ZINC001167787648 820116779 /nfs/dbraw/zinc/11/67/79/820116779.db2.gz FYLFSAXMFWTBBL-UHFFFAOYSA-N 2 0 266.696 -0.790 20 0 CBADRP COCC[N@H+](C)Cc1ccnc(-n2nnc(CC[NH3+])n2)c1 ZINC001167790137 820117313 /nfs/dbraw/zinc/11/73/13/820117313.db2.gz DWAXBFOYCTUILW-UHFFFAOYSA-N 2 0 291.359 -0.363 20 0 CBADRP C[NH+]1CCN(c2ccc(-n3nnc(CC[NH3+])n3)cc2)CC1 ZINC001167791375 820119194 /nfs/dbraw/zinc/11/91/94/820119194.db2.gz YABYOBWZVUUTCB-UHFFFAOYSA-N 2 0 287.371 -0.085 20 0 CBADRP [NH3+]CCc1nnn(-c2ccc3c([C@@H]4CCC[NH2+]4)nnn3c2)n1 ZINC001167791357 820119498 /nfs/dbraw/zinc/11/94/98/820119498.db2.gz XQCKNVBJCDVCJB-JTQLQIEISA-N 2 0 299.342 -0.369 20 0 CBADRP [NH3+]CCc1nnn(-c2ccc3nc([C@@H]4CC[NH2+]C4)nn3c2)n1 ZINC001167792530 820120812 /nfs/dbraw/zinc/12/08/12/820120812.db2.gz HRAPUXKGAHUMAW-SECBINFHSA-N 2 0 299.342 -0.717 20 0 CBADRP NC(=O)c1c[nH]c2ncnc(NC(=[NH2+])NCCCC[NH3+])c12 ZINC001167881234 820125458 /nfs/dbraw/zinc/12/54/58/820125458.db2.gz YNWUHIXLRWDBJO-UHFFFAOYSA-N 2 0 290.331 -0.268 20 0 CBADRP CNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001168135990 820145499 /nfs/dbraw/zinc/14/54/99/820145499.db2.gz DNYOXYSOQGAIQH-GFCCVEGCSA-N 2 0 296.415 -0.440 20 0 CBADRP C[C@H]([NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001168139278 820146130 /nfs/dbraw/zinc/14/61/30/820146130.db2.gz ZLFJERQWSXLASQ-NWDGAFQWSA-N 2 0 296.415 -0.312 20 0 CBADRP [NH3+]Cc1cnn(-c2cnc(O[C@@H]3CC[NH2+]C3)nc2)c1 ZINC001168262338 820154487 /nfs/dbraw/zinc/15/44/87/820154487.db2.gz RFALFLXSHOYPGQ-LLVKDONJSA-N 2 0 260.301 -0.138 20 0 CBADRP C[NH+](C)C1CCC([NH2+][C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001168297540 820155417 /nfs/dbraw/zinc/15/54/17/820155417.db2.gz BUJRPNDZGSOGNT-VKKCZRNHSA-N 2 0 272.389 -0.449 20 0 CBADRP COC(=O)CNC(=O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168304061 820155453 /nfs/dbraw/zinc/15/54/53/820155453.db2.gz NREPGYQZTOXQAO-UHFFFAOYSA-N 2 0 271.361 -0.262 20 0 CBADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]CC(N)=O)C(C)C ZINC001168667451 820167946 /nfs/dbraw/zinc/16/79/46/820167946.db2.gz VFIHWVYZVMNRMU-CYBMUJFWSA-N 2 0 286.420 -0.066 20 0 CBADRP [NH3+]Cc1nc(=O)[nH]n1-c1cccc(N2CC[NH2+]CC2)c1 ZINC001168761814 820180655 /nfs/dbraw/zinc/18/06/55/820180655.db2.gz WKRPNVUABJUMFR-UHFFFAOYSA-N 2 0 274.328 -0.159 20 0 CBADRP [NH3+][C@@H]1CCc2nn(-c3ccnc(N4CC[NH2+]CC4)n3)cc2C1 ZINC001168807383 820183919 /nfs/dbraw/zinc/18/39/19/820183919.db2.gz GGQGJDISZPZKPA-GFCCVEGCSA-N 2 0 299.382 -0.112 20 0 CBADRP Nc1[nH+]ccn1Cc1ccccc1-n1nnnc1C[NH3+] ZINC001168923610 820192696 /nfs/dbraw/zinc/19/26/96/820192696.db2.gz MSEBKUCQDHSYTL-UHFFFAOYSA-N 2 0 270.300 -0.052 20 0 CBADRP C[NH+]1CCN(c2ccc(-n3nnnc3C[NH3+])nc2)CC1 ZINC001168924012 820193233 /nfs/dbraw/zinc/19/32/33/820193233.db2.gz SWADTSWXQCVZBA-UHFFFAOYSA-N 2 0 274.332 -0.732 20 0 CBADRP C[NH+](C)CCCOc1ccc(-n2nnnc2C[NH3+])cn1 ZINC001168924112 820194323 /nfs/dbraw/zinc/19/43/23/820194323.db2.gz IPFPAAGGPXGZHF-UHFFFAOYSA-N 2 0 277.332 -0.154 20 0 CBADRP Cc1nc(CC[NH3+])nn1-c1ccnc(N2CC[NH2+]CC2)n1 ZINC001168982035 820198672 /nfs/dbraw/zinc/19/86/72/820198672.db2.gz AZXAIUJVPBQNRC-UHFFFAOYSA-N 2 0 288.359 -0.723 20 0 CBADRP [NH3+][C@@H](CO)Cc1cncn1-c1ncnc2c1C[NH2+]CC2 ZINC001169067663 820203544 /nfs/dbraw/zinc/20/35/44/820203544.db2.gz VISURJBBGJTVNP-SECBINFHSA-N 2 0 274.328 -0.830 20 0 CBADRP [NH3+]Cc1cnnn1-c1ccc([C@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001169309890 820226101 /nfs/dbraw/zinc/22/61/01/820226101.db2.gz OHYGYIUZHRTPTF-CYBMUJFWSA-N 2 0 298.350 -0.123 20 0 CBADRP [NH3+]Cc1cnnn1-c1ccc([C@@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001169309891 820226164 /nfs/dbraw/zinc/22/61/64/820226164.db2.gz OHYGYIUZHRTPTF-ZDUSSCGKSA-N 2 0 298.350 -0.123 20 0 CBADRP CCOC(=O)[C@H]1CC[C@@H](NC(=[NH2+])NCCCC[NH3+])CO1 ZINC001169321150 820229338 /nfs/dbraw/zinc/22/93/38/820229338.db2.gz LDXSZLVVKZBYDO-GHMZBOCLSA-N 2 0 286.376 -0.050 20 0 CBADRP c1cc(NC[C@@H]2COCC[NH2+]2)nc(N2CC[NH2+]CC2)n1 ZINC001170032488 820274371 /nfs/dbraw/zinc/27/43/71/820274371.db2.gz MPCADXMHURCMTM-LLVKDONJSA-N 2 0 278.360 -0.714 20 0 CBADRP [NH3+]C1CCN(c2cncc(NC[C@H]3COCC[NH2+]3)n2)CC1 ZINC001170042582 820276077 /nfs/dbraw/zinc/27/60/77/820276077.db2.gz QAGFHDBQRVYPTH-LBPRGKRZSA-N 2 0 292.387 -0.196 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001170211937 820279719 /nfs/dbraw/zinc/27/97/19/820279719.db2.gz SDZLSBQEVUNCIQ-UHFFFAOYSA-N 2 0 293.433 -0.531 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001170211082 820280629 /nfs/dbraw/zinc/28/06/29/820280629.db2.gz IOEVVZLHRAQYNM-UHFFFAOYSA-N 2 0 298.391 -0.954 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001170222466 820282850 /nfs/dbraw/zinc/28/28/50/820282850.db2.gz KIPHJOWTERTLKF-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CN(CC[NH3+])CCNc1cncc(N2CCC([NH3+])CC2)n1 ZINC001170499914 820295586 /nfs/dbraw/zinc/29/55/86/820295586.db2.gz YFUHJUJLBNZBGE-UHFFFAOYSA-N 2 0 293.419 -0.294 20 0 CBADRP C[C@H](Nc1nccnc1N1CC[NH2+]CC1)[C@@H]1C[NH2+]CCO1 ZINC001170558029 820305999 /nfs/dbraw/zinc/30/59/99/820305999.db2.gz KEGAOWNEGIZQIR-RYUDHWBXSA-N 2 0 292.387 -0.325 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@@H]1Nc1ccc2c(n1)OCC[NH2+]C2 ZINC001170772710 820316955 /nfs/dbraw/zinc/31/69/55/820316955.db2.gz DJLNBYJZBNIFRM-QWRGUYRKSA-N 2 0 264.329 -0.444 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@@H]1Nc1ccc(O[C@@H]2CCC[NH2+]C2)nn1 ZINC001170774835 820317668 /nfs/dbraw/zinc/31/76/68/820317668.db2.gz BZXXWLIBUBMKBK-TUAOUCFPSA-N 2 0 293.371 -0.400 20 0 CBADRP COC(OC)c1c(C[NH3+])ccnc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001170773627 820318489 /nfs/dbraw/zinc/31/84/89/820318489.db2.gz IEKVLASBJIYPLK-QWRGUYRKSA-N 2 0 296.371 -0.176 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@H]1Nc1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001170780238 820322713 /nfs/dbraw/zinc/32/27/13/820322713.db2.gz LUAKKYGWAAOTIC-ZMLRMANQSA-N 2 0 279.344 -0.791 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2c(n1)OCC[NH2+]C2 ZINC001170897396 820332872 /nfs/dbraw/zinc/33/28/72/820332872.db2.gz GROHLLWQKMLPFU-JTQLQIEISA-N 3 0 251.334 -0.001 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2c(n1)OCC[NH2+]C2 ZINC001170897397 820333532 /nfs/dbraw/zinc/33/35/32/820333532.db2.gz GROHLLWQKMLPFU-SNVBAGLBSA-N 3 0 251.334 -0.001 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1cnc2c(c1)OCC(=O)N2 ZINC001170900546 820334547 /nfs/dbraw/zinc/33/45/47/820334547.db2.gz VUGLTVKTGUEBKT-VIFPVBQESA-N 2 0 251.290 -0.152 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001170899153 820335562 /nfs/dbraw/zinc/33/55/62/820335562.db2.gz IAGHUQUTCXMRPR-GHMZBOCLSA-N 3 0 266.349 -0.347 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1ncccc1N1CC[NH2+]CC1 ZINC001170898883 820335634 /nfs/dbraw/zinc/33/56/34/820335634.db2.gz RCYKJDQWZPRUMO-GFCCVEGCSA-N 3 0 264.377 -0.073 20 0 CBADRP NS(=O)(=O)c1ccc(N[C@H]([NH3+])CCC[NH3+])nc1F ZINC001170900324 820336378 /nfs/dbraw/zinc/33/63/78/820336378.db2.gz RYFHDMKPGIGSSA-ZETCQYMHSA-N 2 0 277.325 -0.696 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001171226950 820350294 /nfs/dbraw/zinc/35/02/94/820350294.db2.gz KVHMJIQBAGCVBS-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001171227033 820352162 /nfs/dbraw/zinc/35/21/62/820352162.db2.gz LVJNEEUXJNYTDH-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001171762995 820371167 /nfs/dbraw/zinc/37/11/67/820371167.db2.gz PMLADUVWOZVMFB-JTQLQIEISA-N 2 0 258.366 -0.702 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C ZINC001171294136 820356551 /nfs/dbraw/zinc/35/65/51/820356551.db2.gz QXCLZNZZZAUCMB-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP O=C(C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2)N1CCC1 ZINC001171303761 820356970 /nfs/dbraw/zinc/35/69/70/820356970.db2.gz ZNTTXURROCXXHL-UHFFFAOYSA-N 2 0 294.399 -0.590 20 0 CBADRP O=C(NCCC[NH2+][C@@H]1CCCNC1=O)C12CC[NH+](CC1)C2 ZINC001171311489 820357063 /nfs/dbraw/zinc/35/70/63/820357063.db2.gz SZWPAWQDDMAGOF-GFCCVEGCSA-N 2 0 294.399 -0.543 20 0 CBADRP C[NH+](C)CCCCC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001171579276 820361710 /nfs/dbraw/zinc/36/17/10/820361710.db2.gz SKRYEVJWLCMNMJ-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP C[NH+](C)CCCCC(=O)NCCC[NH2+]CCOCCO ZINC001171578518 820361932 /nfs/dbraw/zinc/36/19/32/820361932.db2.gz CGVJDIUNNOVKFC-UHFFFAOYSA-N 2 0 289.420 -0.177 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001171726037 820369821 /nfs/dbraw/zinc/36/98/21/820369821.db2.gz UUNIWMOGXIXBRY-LLVKDONJSA-N 2 0 272.393 -0.312 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1nncn1C ZINC001171757670 820370774 /nfs/dbraw/zinc/37/07/74/820370774.db2.gz MMUBKOVBTLNFGT-UHFFFAOYSA-N 2 0 282.392 -0.247 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@@H](C)c1nnnn1C ZINC001171763273 820370890 /nfs/dbraw/zinc/37/08/90/820370890.db2.gz WYUMQVFNTMCPPD-NSHDSACASA-N 2 0 297.407 -0.291 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(C2CC2)C(=O)C1 ZINC001172005957 820374469 /nfs/dbraw/zinc/37/44/69/820374469.db2.gz BQIPUEPYFHEMFN-AAEUAGOBSA-N 2 0 296.415 -0.027 20 0 CBADRP COC(=O)CNC(=O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172118897 820381977 /nfs/dbraw/zinc/38/19/77/820381977.db2.gz UEHRVQJUPIFIOM-ZSBIGDGJSA-N 2 0 283.372 -0.120 20 0 CBADRP COC(=O)[C@H](C[NH3+])C[NH2+]C1CCN(C(=O)OC)CC1 ZINC001172732500 820397550 /nfs/dbraw/zinc/39/75/50/820397550.db2.gz WWQSEBLDWWMDIQ-SECBINFHSA-N 2 0 273.333 -0.445 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C1 ZINC001173353860 820401213 /nfs/dbraw/zinc/40/12/13/820401213.db2.gz QUTQKRXBZGSXAJ-SNVBAGLBSA-N 2 0 260.342 -0.782 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176072200 820438844 /nfs/dbraw/zinc/43/88/44/820438844.db2.gz MTRCHFYVNZOHKP-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP Cn1ccnc1C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176070938 820438873 /nfs/dbraw/zinc/43/88/73/820438873.db2.gz ACVZULNZKFGRKX-GFCCVEGCSA-N 2 0 279.388 -0.032 20 0 CBADRP CN(C(=O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001176095222 820439853 /nfs/dbraw/zinc/43/98/53/820439853.db2.gz AURSASDKAZKDQP-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001176096353 820439884 /nfs/dbraw/zinc/43/98/84/820439884.db2.gz RBPJQHFQOKIJIN-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176110498 820441868 /nfs/dbraw/zinc/44/18/68/820441868.db2.gz UIVOLTFCSPCQGV-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[NH2+]CC(N)=O ZINC001176845138 820467422 /nfs/dbraw/zinc/46/74/22/820467422.db2.gz PTNWUUNSJKOVLJ-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[NH2+]CCO ZINC001176857667 820472068 /nfs/dbraw/zinc/47/20/68/820472068.db2.gz YHJBZYNJIFLLTM-RYUDHWBXSA-N 2 0 257.378 -0.053 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001176972357 820484886 /nfs/dbraw/zinc/48/48/86/820484886.db2.gz XWFLWIATMXWCQH-UHFFFAOYSA-N 2 0 293.433 -0.533 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176972403 820485291 /nfs/dbraw/zinc/48/52/91/820485291.db2.gz ZQEKNIMPSMDVEV-UHFFFAOYSA-N 2 0 272.393 -0.441 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001176971503 820485599 /nfs/dbraw/zinc/48/55/99/820485599.db2.gz AJBDGZTZMQRKRP-GFCCVEGCSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001176986455 820486674 /nfs/dbraw/zinc/48/66/74/820486674.db2.gz OTWZNONLQJDHDP-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP CC(C)[C@H](C(=O)NCCC[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001176999446 820487295 /nfs/dbraw/zinc/48/72/95/820487295.db2.gz WRQDHGFLVKOYPG-CYBMUJFWSA-N 2 0 284.404 -0.312 20 0 CBADRP CN(C)[C@H](C(=O)NCCC[NH2+]CCO)c1cccnc1 ZINC001177064444 820491413 /nfs/dbraw/zinc/49/14/13/820491413.db2.gz QFZQBDBWPDGRBX-ZDUSSCGKSA-N 2 0 280.372 -0.228 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)COc1ccccn1 ZINC001177637233 820530264 /nfs/dbraw/zinc/53/02/64/820530264.db2.gz JSJTUWGVRHVELO-UHFFFAOYSA-N 2 0 265.317 -0.079 20 0 CBADRP Cn1cnc(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])c1 ZINC001177851402 820545670 /nfs/dbraw/zinc/54/56/70/820545670.db2.gz DJSVDVFUUVFXPW-UHFFFAOYSA-N 2 0 252.322 -0.576 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CCc1ncc[nH]1 ZINC001177997995 820552599 /nfs/dbraw/zinc/55/25/99/820552599.db2.gz JPNXDHYUJZCRED-UHFFFAOYSA-N 2 0 252.322 -0.197 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001178360911 820578950 /nfs/dbraw/zinc/57/89/50/820578950.db2.gz SKGZEGCRJAJVQJ-IHRRRGAJSA-N 2 0 299.415 -0.332 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC([NH2+][C@H]3CCOC3)C2)C1 ZINC001179008747 820613590 /nfs/dbraw/zinc/61/35/90/820613590.db2.gz RBNSJCCMPWMOMM-RYUDHWBXSA-N 2 0 267.373 -0.083 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C)[NH+](C)C ZINC001178990373 820614445 /nfs/dbraw/zinc/61/44/45/820614445.db2.gz VFRYILCKNXFOCP-RWMBFGLXSA-N 2 0 298.431 -0.006 20 0 CBADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]CC(N)=O ZINC001179461734 820629643 /nfs/dbraw/zinc/62/96/43/820629643.db2.gz ZIPMXWGZDJEGOY-UHFFFAOYSA-N 2 0 272.393 -0.310 20 0 CBADRP CNC(=O)C[NH2+]CCCCCCNC(=O)CC[NH+](C)C ZINC001179461309 820629842 /nfs/dbraw/zinc/62/98/42/820629842.db2.gz GIFVZCSTQIIZCI-UHFFFAOYSA-N 2 0 286.420 -0.050 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)CC[NH+](C)C ZINC001179486375 820629917 /nfs/dbraw/zinc/62/99/17/820629917.db2.gz LDHVGHOCWDBVJW-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H]1[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CC[NH+](C)C ZINC001179472388 820630603 /nfs/dbraw/zinc/63/06/03/820630603.db2.gz LDXYHQQVRGMNRT-AAEUAGOBSA-N 2 0 294.403 -0.154 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)[C@H]1C ZINC001179534381 820632234 /nfs/dbraw/zinc/63/22/34/820632234.db2.gz JWQBHCFAGGDWSF-AGIUHOORSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001179856687 820644153 /nfs/dbraw/zinc/64/41/53/820644153.db2.gz HHWGKLDHFHDIJR-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)[C@@H]1C ZINC001179852149 820644194 /nfs/dbraw/zinc/64/41/94/820644194.db2.gz AQCFIFAVAVDEKK-SRVKXCTJSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)COCC[NH+](C)C ZINC001179935835 820647421 /nfs/dbraw/zinc/64/74/21/820647421.db2.gz JLIOYINOULMDLT-RYUDHWBXSA-N 2 0 273.377 -0.864 20 0 CBADRP COCC[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179933989 820647830 /nfs/dbraw/zinc/64/78/30/820647830.db2.gz QGKZGKPGKIQRCF-STQMWFEESA-N 2 0 287.404 -0.210 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001180138865 820652515 /nfs/dbraw/zinc/65/25/15/820652515.db2.gz PQGWZZVPOKAYAY-AVGNSLFASA-N 2 0 269.389 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001180222507 820654861 /nfs/dbraw/zinc/65/48/61/820654861.db2.gz PIDPGKPXOXRUIG-RYUDHWBXSA-N 2 0 284.404 -0.348 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CCC(=O)N1CCOCC1 ZINC001180498590 820683368 /nfs/dbraw/zinc/68/33/68/820683368.db2.gz LYEQMCDOSBLSCA-UHFFFAOYSA-N 2 0 299.375 -0.914 20 0 CBADRP C[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])[NH+]1CCCC1 ZINC001180583500 820695722 /nfs/dbraw/zinc/69/57/22/820695722.db2.gz CYQRQNUTBJZSHO-SNVBAGLBSA-N 3 0 255.366 -0.068 20 0 CBADRP C[C@@H](C(=O)NCCN(CC[NH3+])N(O)N=O)[NH+]1CCCC1 ZINC001180586997 820696920 /nfs/dbraw/zinc/69/69/20/820696920.db2.gz WWCATSQUJFRMJT-JTQLQIEISA-N 2 0 288.352 -0.865 20 0 CBADRP C[N@H+](CC(=O)N(CC[NH3+])S(C)(=O)=O)C1CCCC1 ZINC001180624372 820702176 /nfs/dbraw/zinc/70/21/76/820702176.db2.gz BGWJXCWLNLIPNV-UHFFFAOYSA-N 2 0 277.390 -0.392 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CCNC(=O)C1CC1 ZINC001180852770 820733548 /nfs/dbraw/zinc/73/35/48/820733548.db2.gz JZDKXUZVWHJSBH-UHFFFAOYSA-N 2 0 297.403 -0.033 20 0 CBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H](C)[NH+](C)C)O1 ZINC001180865252 820735148 /nfs/dbraw/zinc/73/51/48/820735148.db2.gz YTCNVQWNJNOKSD-WGBDABJCSA-N 2 0 273.377 -0.223 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H]1CCCC[C@@H]1O ZINC001181092539 820753289 /nfs/dbraw/zinc/75/32/89/820753289.db2.gz QDOXNPFTKPFQRM-UWVGGRQHSA-N 2 0 256.350 -0.002 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)C12CC[NH+](CC1)CC2 ZINC001181553635 820798168 /nfs/dbraw/zinc/79/81/68/820798168.db2.gz ZJUZOWGYBLNPPV-UHFFFAOYSA-N 2 0 283.372 -0.177 20 0 CBADRP C[NH+]1CCC(C)(C(=O)N(CC[NH3+])S(C)(=O)=O)CC1 ZINC001181980593 820844840 /nfs/dbraw/zinc/84/48/40/820844840.db2.gz MOUWOXBDNVSMPX-UHFFFAOYSA-N 2 0 277.390 -0.535 20 0 CBADRP C[NH+]1CCC(O)(C(=O)N2CC[N@@H+]3CC[C@H]3C2)CC1 ZINC001182032695 820855024 /nfs/dbraw/zinc/85/50/24/820855024.db2.gz ILOFRSQLIVLQGU-NSHDSACASA-N 2 0 253.346 -0.640 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)C1(O)CC[NH+](C)CC1 ZINC001182033181 820855623 /nfs/dbraw/zinc/85/56/23/820855623.db2.gz NULBELXJAXUVHI-UHFFFAOYSA-N 2 0 279.344 -0.773 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1C[C@H]1C(N)=O ZINC001182391305 820912764 /nfs/dbraw/zinc/91/27/64/820912764.db2.gz NHQYHKWDTHFYIG-RKDXNWHRSA-N 2 0 269.349 -0.828 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)C1([NH+](C)C)CC1 ZINC001182597042 820926914 /nfs/dbraw/zinc/92/69/14/820926914.db2.gz HDDKDFDYAPMRMR-LLVKDONJSA-N 2 0 255.362 -0.130 20 0 CBADRP [NH3+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2CC2CC2)COC1 ZINC001182559659 820927829 /nfs/dbraw/zinc/92/78/29/820927829.db2.gz VLTLFQGDSGDNKY-NSHDSACASA-N 2 0 253.346 -0.295 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001182559472 820928293 /nfs/dbraw/zinc/92/82/93/820928293.db2.gz NWUNCJJNKNGWTJ-LBPRGKRZSA-N 2 0 255.362 -0.441 20 0 CBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001182623017 820931416 /nfs/dbraw/zinc/93/14/16/820931416.db2.gz BMQOTPLXDVYFDV-ZIAGYGMSSA-N 2 0 281.400 -0.099 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC)C2)CC[N@@H+]1C ZINC001182693123 820937507 /nfs/dbraw/zinc/93/75/07/820937507.db2.gz SNGWXAYFFAHZQN-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001183228401 820982918 /nfs/dbraw/zinc/98/29/18/820982918.db2.gz HJYVNVHNYMJBFL-IUODEOHRSA-N 2 0 298.431 -0.112 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183229545 820982973 /nfs/dbraw/zinc/98/29/73/820982973.db2.gz MDJCLNHAMYDSSQ-CHWSQXEVSA-N 2 0 299.415 -0.332 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183229224 820983660 /nfs/dbraw/zinc/98/36/60/820983660.db2.gz GGBQUVDROMXJBK-LLVKDONJSA-N 2 0 282.388 -0.593 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001183364834 820991313 /nfs/dbraw/zinc/99/13/13/820991313.db2.gz ATDGLFCEAKOMPM-GFCCVEGCSA-N 2 0 273.377 -0.077 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183450301 820994780 /nfs/dbraw/zinc/99/47/80/820994780.db2.gz NOONMRGJOBOFRY-UPJWGTAASA-N 2 0 298.431 -0.102 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001183509471 820996837 /nfs/dbraw/zinc/99/68/37/820996837.db2.gz HXWBHSDLQHQRBX-IUODEOHRSA-N 2 0 298.431 -0.114 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCCO)C1)[NH+](C)C ZINC001183582350 821007621 /nfs/dbraw/zinc/00/76/21/821007621.db2.gz VRUDFASRFSJKBH-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001183647049 821012736 /nfs/dbraw/zinc/01/27/36/821012736.db2.gz BVBCKSRXKLGERM-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CC(C)OC(=O)CC(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001184447201 821075263 /nfs/dbraw/zinc/07/52/63/821075263.db2.gz PLNVWNAYVSCGEP-UHFFFAOYSA-N 2 0 258.322 -0.211 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001184859194 821089149 /nfs/dbraw/zinc/08/91/49/821089149.db2.gz XVXLSZJCAOVHPQ-IJLUTSLNSA-N 2 0 282.388 -0.594 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185249096 821113025 /nfs/dbraw/zinc/11/30/25/821113025.db2.gz NWOCDXZRFNREFX-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]1C[N@@H+](C)CCN1C ZINC001185262578 821116536 /nfs/dbraw/zinc/11/65/36/821116536.db2.gz OBIQGOJMFRSNSI-LLVKDONJSA-N 2 0 278.360 -0.984 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)n1ccc(C[NH3+])cc1=N ZINC001185264855 821120008 /nfs/dbraw/zinc/12/00/08/821120008.db2.gz ZZFCIXSUKNKNLF-LLVKDONJSA-N 2 0 263.345 -0.688 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001185348061 821124682 /nfs/dbraw/zinc/12/46/82/821124682.db2.gz NPFAHUFKRKMGBO-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001185400726 821126159 /nfs/dbraw/zinc/12/61/59/821126159.db2.gz GEOXVOGNBDBABJ-NXEZZACHSA-N 2 0 256.350 -0.998 20 0 CBADRP CN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001185400589 821126889 /nfs/dbraw/zinc/12/68/89/821126889.db2.gz DPHIJNTWJURYSX-VXGBXAGGSA-N 2 0 282.388 -0.641 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001185416118 821129103 /nfs/dbraw/zinc/12/91/03/821129103.db2.gz NZNYATGJFHNJNE-NWDGAFQWSA-N 2 0 284.404 -0.395 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185416614 821129315 /nfs/dbraw/zinc/12/93/15/821129315.db2.gz YTLSLXVLVSVLKH-WDEREUQCSA-N 2 0 270.377 -0.737 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185446380 821130906 /nfs/dbraw/zinc/13/09/06/821130906.db2.gz KNNDLJKFUBMXCX-TZMCWYRMSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1)[NH+](CC)CC ZINC001185609569 821135044 /nfs/dbraw/zinc/13/50/44/821135044.db2.gz KWGBPWCSRGTKEO-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CN1CC[C@@H](O)C1 ZINC001186056544 821165802 /nfs/dbraw/zinc/16/58/02/821165802.db2.gz FSCZICVMZICDCN-LLVKDONJSA-N 2 0 285.392 -0.883 20 0 CBADRP C[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@H+](C)C2)CC1 ZINC001186369648 821181099 /nfs/dbraw/zinc/18/10/99/821181099.db2.gz FWJDHGVJCLOZDE-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001186452864 821182277 /nfs/dbraw/zinc/18/22/77/821182277.db2.gz UHHNNGQSEPCLPF-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001186824804 821199554 /nfs/dbraw/zinc/19/95/54/821199554.db2.gz MLDXFJKQFHIGOP-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001187084069 821211636 /nfs/dbraw/zinc/21/16/36/821211636.db2.gz XGBBXHBTIBFWKK-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1)C(N)=O ZINC001187230809 821220621 /nfs/dbraw/zinc/22/06/21/821220621.db2.gz DQEQQSCRQBZGQL-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP COCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001279746300 828337130 /nfs/dbraw/zinc/33/71/30/828337130.db2.gz KNOMOKOZIQBDFG-ZDUSSCGKSA-N 2 0 287.404 -0.472 20 0 CBADRP COCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001280628751 828367625 /nfs/dbraw/zinc/36/76/25/828367625.db2.gz LPHNZGDECMVDRQ-CQSZACIVSA-N 2 0 299.415 -0.208 20 0 CBADRP COCC[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001280658558 828369996 /nfs/dbraw/zinc/36/99/96/828369996.db2.gz DTEKJVSAAQLDPM-KBPBESRZSA-N 2 0 299.415 -0.208 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC[C@@](CO)([NH2+]CCCO)C1 ZINC001281191418 828406911 /nfs/dbraw/zinc/40/69/11/828406911.db2.gz GWVHCSXSDQNWNT-OAHLLOKOSA-N 2 0 299.415 -0.592 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001187825690 822297700 /nfs/dbraw/zinc/29/77/00/822297700.db2.gz RJFXPBNUOCFVNY-NWDGAFQWSA-N 2 0 255.362 -0.489 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187826352 822299223 /nfs/dbraw/zinc/29/92/23/822299223.db2.gz XZMPPCAULNNGMO-JHJVBQTASA-N 2 0 285.388 -0.864 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC2(C[NH2+]CCO)CCOCC2)C1 ZINC001281280445 828412266 /nfs/dbraw/zinc/41/22/66/828412266.db2.gz QLPLAOPYZYGPBG-ZDUSSCGKSA-N 2 0 299.415 -0.425 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001188346477 822329558 /nfs/dbraw/zinc/32/95/58/822329558.db2.gz QFPGZPFDPOIPII-CYBMUJFWSA-N 2 0 296.415 -0.072 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCOCCO ZINC001282363714 828442134 /nfs/dbraw/zinc/44/21/34/828442134.db2.gz DPBWXRLKPRHBCC-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP COCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001282928863 828472807 /nfs/dbraw/zinc/47/28/07/828472807.db2.gz MGEQYTMJMBMLKE-KGLIPLIRSA-N 2 0 299.415 -0.066 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001283065922 828493918 /nfs/dbraw/zinc/49/39/18/828493918.db2.gz HYSAFKYUHLTKRK-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001283102555 828496275 /nfs/dbraw/zinc/49/62/75/828496275.db2.gz SXYLRYUXZJENJV-AVGNSLFASA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@H](CCC[NH2+]CC(N)=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283189570 828505112 /nfs/dbraw/zinc/50/51/12/828505112.db2.gz AHJUFJBTYOCVPW-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]CC1CCC1 ZINC001283804400 828550266 /nfs/dbraw/zinc/55/02/66/828550266.db2.gz PJJAXZLSXMGRLV-GFCCVEGCSA-N 2 0 257.378 -0.195 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]32)CC1 ZINC001188971599 823728388 /nfs/dbraw/zinc/72/83/88/823728388.db2.gz XROCROGFZZHOER-QWHCGFSZSA-N 2 0 281.400 -0.147 20 0 CBADRP C[N@H+](CCCO)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189401325 823753448 /nfs/dbraw/zinc/75/34/48/823753448.db2.gz VBRQEJXOXRVJBA-STQMWFEESA-N 2 0 269.389 -0.004 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCO)C[C@H]21 ZINC001190371407 823812469 /nfs/dbraw/zinc/81/24/69/823812469.db2.gz UKSSXADXHJPOMY-QWHCGFSZSA-N 2 0 269.389 -0.148 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cnc(=O)[nH]c1 ZINC001191182999 823879415 /nfs/dbraw/zinc/87/94/15/823879415.db2.gz HBHPIESYAAAMPZ-UHFFFAOYSA-N 2 0 252.278 -0.743 20 0 CBADRP COC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191728471 823918659 /nfs/dbraw/zinc/91/86/59/823918659.db2.gz ZLGGOPJJKIVEHO-BFHYXJOUSA-N 2 0 299.415 -0.379 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192029247 823941018 /nfs/dbraw/zinc/94/10/18/823941018.db2.gz IZVVEBFMLUOFFH-NWDGAFQWSA-N 2 0 284.404 -0.265 20 0 CBADRP CNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045308 823943233 /nfs/dbraw/zinc/94/32/33/823943233.db2.gz CATPIJYSUKQHCK-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCNC2=O)C1 ZINC001192038871 823944122 /nfs/dbraw/zinc/94/41/22/823944122.db2.gz TXJOJLABAFQZOL-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001192169885 823952815 /nfs/dbraw/zinc/95/28/15/823952815.db2.gz FDZLKOIMUYMHTB-OLZOCXBDSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192172159 823955685 /nfs/dbraw/zinc/95/56/85/823955685.db2.gz ZQWXMYDOERPPOT-VXGBXAGGSA-N 2 0 257.378 -0.148 20 0 CBADRP C[C@H](C(=O)N(C)C)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170781 823955983 /nfs/dbraw/zinc/95/59/83/823955983.db2.gz QPUGSAXSNYMRRV-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccn[nH]c1=O ZINC001192397859 823966449 /nfs/dbraw/zinc/96/64/49/823966449.db2.gz DWBFKKPAGKGFDF-UHFFFAOYSA-N 2 0 252.278 -0.743 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CCO)C1 ZINC001193278922 824017641 /nfs/dbraw/zinc/01/76/41/824017641.db2.gz LILYLRWHTPUMBA-LBPRGKRZSA-N 2 0 257.378 -0.147 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccc(CO)cn1 ZINC001193322228 824022220 /nfs/dbraw/zinc/02/22/20/824022220.db2.gz PYEQTDUSDYYORG-UHFFFAOYSA-N 2 0 265.317 -0.352 20 0 CBADRP CNC(=O)CN(C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193570725 824035214 /nfs/dbraw/zinc/03/52/14/824035214.db2.gz LBPDLNPDGSYVRH-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193765604 824045342 /nfs/dbraw/zinc/04/53/42/824045342.db2.gz DMLQGVBEMMXEQH-JHJVBQTASA-N 2 0 299.415 -0.333 20 0 CBADRP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193792120 824046806 /nfs/dbraw/zinc/04/68/06/824046806.db2.gz XXCXJBFDNSVUDB-JHJVBQTASA-N 2 0 269.389 -0.104 20 0 CBADRP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193804953 824046939 /nfs/dbraw/zinc/04/69/39/824046939.db2.gz GUDIHVCHBGQSRH-ZIAGYGMSSA-N 2 0 299.415 -0.332 20 0 CBADRP COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193828105 824047851 /nfs/dbraw/zinc/04/78/51/824047851.db2.gz KWRBWOVMRMTUAL-IACUBPJLSA-N 2 0 299.415 -0.333 20 0 CBADRP COC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039199 824055886 /nfs/dbraw/zinc/05/58/86/824055886.db2.gz LJXQLUOZTPYNNN-KGLIPLIRSA-N 2 0 299.415 -0.378 20 0 CBADRP Cc1cnc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])nc1 ZINC001194078928 824059523 /nfs/dbraw/zinc/05/95/23/824059523.db2.gz BSNSJHIYIWLKLV-UHFFFAOYSA-N 2 0 250.306 -0.140 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@@H]2CCNC2=O)C1 ZINC001194283482 824068244 /nfs/dbraw/zinc/06/82/44/824068244.db2.gz CBCIAMLWGNBDSZ-CHWSQXEVSA-N 2 0 296.415 -0.252 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194296034 824069000 /nfs/dbraw/zinc/06/90/00/824069000.db2.gz UTMYEGKJWWQVMD-OLZOCXBDSA-N 2 0 298.431 -0.006 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cnccc1C(N)=O ZINC001195441965 824117735 /nfs/dbraw/zinc/11/77/35/824117735.db2.gz YSKSDYVONIALRY-UHFFFAOYSA-N 2 0 278.316 -0.745 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001195707963 824128286 /nfs/dbraw/zinc/12/82/86/824128286.db2.gz BSUBFOAENMEGTR-BFHYXJOUSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O)[NH+](C)C ZINC001196267595 824155701 /nfs/dbraw/zinc/15/57/01/824155701.db2.gz DJRAFIHBRAWUSO-GRYCIOLGSA-N 2 0 275.368 -0.153 20 0 CBADRP COc1ncncc1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001196544724 824164766 /nfs/dbraw/zinc/16/47/66/824164766.db2.gz OHIMSRSBHMZYTA-UHFFFAOYSA-N 2 0 266.305 -0.440 20 0 CBADRP C[C@@H](C(N)=O)N1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196963556 824173166 /nfs/dbraw/zinc/17/31/66/824173166.db2.gz VUUJSPJCCWUSOW-LBPRGKRZSA-N 2 0 284.404 -0.264 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC[N@H+](CCO)CC1 ZINC001196963194 824173326 /nfs/dbraw/zinc/17/33/26/824173326.db2.gz OIAVPMOSXHPSRY-UHFFFAOYSA-N 2 0 257.378 -0.145 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001197058075 824176459 /nfs/dbraw/zinc/17/64/59/824176459.db2.gz NALCYTQPTGYDDI-VXGBXAGGSA-N 2 0 275.368 -0.151 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@H]1O ZINC001197493432 824194545 /nfs/dbraw/zinc/19/45/45/824194545.db2.gz MTPHTQVAMFLGMG-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001197784622 824202222 /nfs/dbraw/zinc/20/22/22/824202222.db2.gz ZFZUTIWACCAKEV-VXGBXAGGSA-N 2 0 291.367 -0.915 20 0 CBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O ZINC001197825209 824203753 /nfs/dbraw/zinc/20/37/53/824203753.db2.gz BDVSIUAZPWBTOV-ZIAGYGMSSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H](O)C[N@@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197832005 824204377 /nfs/dbraw/zinc/20/43/77/824204377.db2.gz GTTZPUZIUCMDRB-ZDUSSCGKSA-N 2 0 287.404 -0.520 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCCN(CC(=O)NC)CC1 ZINC001197907361 824209158 /nfs/dbraw/zinc/20/91/58/824209158.db2.gz CLNOXYLWHCRDQX-UHFFFAOYSA-N 2 0 284.404 -0.392 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCCN(CC(=O)N(C)C)CC1 ZINC001197913868 824209607 /nfs/dbraw/zinc/20/96/07/824209607.db2.gz HCXJSTLHUWSANV-UHFFFAOYSA-N 2 0 298.431 -0.049 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC2CC2)C[C@H]1O ZINC001198020214 824213871 /nfs/dbraw/zinc/21/38/71/824213871.db2.gz IRSJCFBXORXALT-CHWSQXEVSA-N 2 0 269.389 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@H]1O ZINC001198048709 824217592 /nfs/dbraw/zinc/21/75/92/824217592.db2.gz YYJRBMNCIMLDCB-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001198097400 824218903 /nfs/dbraw/zinc/21/89/03/824218903.db2.gz ACDNCQCWLOTEJV-KGLIPLIRSA-N 2 0 299.415 -0.520 20 0 CBADRP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198661484 824236143 /nfs/dbraw/zinc/23/61/43/824236143.db2.gz GGJHHGWKHGZFAO-BFHYXJOUSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001199787737 824287757 /nfs/dbraw/zinc/28/77/57/824287757.db2.gz DAGJCOSOJGTXRQ-KGLIPLIRSA-N 2 0 299.415 -0.332 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001199788751 824289326 /nfs/dbraw/zinc/28/93/26/824289326.db2.gz YZSSBQPCNQZIQV-AAEUAGOBSA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)[C@H](C)N1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001284960562 828636406 /nfs/dbraw/zinc/63/64/06/828636406.db2.gz VPEYSYHTPQXCCJ-LBPRGKRZSA-N 2 0 296.415 -0.179 20 0 CBADRP C[NH+](C)C1(C(=O)N2CCCO[C@H](C[NH2+]CCO)C2)CCC1 ZINC001200688316 824324496 /nfs/dbraw/zinc/32/44/96/824324496.db2.gz NGRKYPQETQZPCY-CYBMUJFWSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[C@H](C(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1)[NH+](C)C ZINC001201240322 824329810 /nfs/dbraw/zinc/32/98/10/824329810.db2.gz SKRGMJYHOMNZCP-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001201268348 824330464 /nfs/dbraw/zinc/33/04/64/824330464.db2.gz XYPPUCKJSVZBRF-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP COCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201316543 824331054 /nfs/dbraw/zinc/33/10/54/824331054.db2.gz CAZRHIUKNRORSG-ZDUSSCGKSA-N 2 0 287.404 -0.208 20 0 CBADRP CC[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CCO)C1)[NH+](C)C ZINC001201411506 824332633 /nfs/dbraw/zinc/33/26/33/824332633.db2.gz SDNGSJLBBCWVNA-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCCO[C@H](C[NH2+]CCO)C2)C1 ZINC001201862910 824337330 /nfs/dbraw/zinc/33/73/30/824337330.db2.gz ICJOHSKZKMYREQ-ZIAGYGMSSA-N 2 0 299.415 -0.472 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001202056668 824340449 /nfs/dbraw/zinc/34/04/49/824340449.db2.gz ARWRACBIIMJUOE-STQMWFEESA-N 2 0 285.388 -0.863 20 0 CBADRP COCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202058974 824341718 /nfs/dbraw/zinc/34/17/18/824341718.db2.gz MPSUFCPFQIHWAZ-CQSZACIVSA-N 2 0 299.415 -0.064 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC001202315875 824346668 /nfs/dbraw/zinc/34/66/68/824346668.db2.gz HNXOYYBHGHXPGP-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP Cn1cnnc1C[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202315831 824346747 /nfs/dbraw/zinc/34/67/47/824346747.db2.gz GCHSYWRAUFZOFX-UHFFFAOYSA-N 2 0 294.403 -0.153 20 0 CBADRP C[C@H]([NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1)C(=O)N(C)C ZINC001202331618 824346764 /nfs/dbraw/zinc/34/67/64/824346764.db2.gz UWOMLFHRXKMXBX-LBPRGKRZSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC001202990915 824356036 /nfs/dbraw/zinc/35/60/36/824356036.db2.gz FVCKTDLWMLBVFR-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)C[NH2+]C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001203337995 824361678 /nfs/dbraw/zinc/36/16/78/824361678.db2.gz ZNSLZDYNGCRARM-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CC1(C)NC[C@@H](C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)O1 ZINC001205209782 824375222 /nfs/dbraw/zinc/37/52/22/824375222.db2.gz LECJQIVPYKVYER-WCQYABFASA-N 2 0 257.378 -0.113 20 0 CBADRP [NH3+]C[C@]1(O)CCC[N@H+](CC2C(=O)N=CNC2=O)CC1 ZINC001205230702 824376531 /nfs/dbraw/zinc/37/65/31/824376531.db2.gz UEEJWSXARNDIEI-LBPRGKRZSA-N 2 0 268.317 -0.437 20 0 CBADRP Nc1cnc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)cn1 ZINC001205247165 824376943 /nfs/dbraw/zinc/37/69/43/824376943.db2.gz CCASATIZZHVWHL-LBPRGKRZSA-N 2 0 251.334 -0.266 20 0 CBADRP C[NH+]1CCN(c2cccc(CN3C[C@@H]([NH3+])[C@H](O)C3)c2)CC1 ZINC001205370133 824378106 /nfs/dbraw/zinc/37/81/06/824378106.db2.gz OSGFCRMIHGYSCE-HZPDHXFCSA-N 2 0 290.411 -0.058 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CCCC[C@@](O)(C[NH3+])C2)O1 ZINC001205664149 824381361 /nfs/dbraw/zinc/38/13/61/824381361.db2.gz MPWWCAPUZUNVGC-WCQYABFASA-N 2 0 257.378 -0.113 20 0 CBADRP C[C@H]1CNCC(F)(F)[C@H]1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946056 824390857 /nfs/dbraw/zinc/39/08/57/824390857.db2.gz HUFOBWRHLKVROA-UKKRHICBSA-N 2 0 263.332 -0.129 20 0 CBADRP CNC(=O)C[NH2+]CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001206073559 824391620 /nfs/dbraw/zinc/39/16/20/824391620.db2.gz CVZHUGAKXHKJFN-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP Cn1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(=O)n(C)c1=O ZINC001206184102 824394248 /nfs/dbraw/zinc/39/42/48/824394248.db2.gz HPRSFUPEACKBAL-GHMZBOCLSA-N 2 0 284.335 -0.655 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206281078 824396543 /nfs/dbraw/zinc/39/65/43/824396543.db2.gz AFRLOGKZNGZZCO-AAEUAGOBSA-N 2 0 296.415 -0.502 20 0 CBADRP [NH3+]C[C@H]1C[N@H+](Cc2cccc(N3CC[NH2+]CC3)c2)C[C@H]1O ZINC001206469516 824400749 /nfs/dbraw/zinc/40/07/49/824400749.db2.gz QSYONGFMOSXXPB-GOEBONIOSA-N 3 0 290.411 -0.152 20 0 CBADRP [NH3+]C[C@H]1C[N@H+](Cc2cccc(N3CC[NH2+]CC3)c2)C[C@@H]1O ZINC001206525464 824401685 /nfs/dbraw/zinc/40/16/85/824401685.db2.gz QSYONGFMOSXXPB-HOCLYGCPSA-N 3 0 290.411 -0.152 20 0 CBADRP O=C1COC[C@@H]2C[N@H+](CC3CC[NH2+]CC3)CCN12 ZINC001207439648 824427562 /nfs/dbraw/zinc/42/75/62/824427562.db2.gz XAUOPOIJAZWWFJ-LBPRGKRZSA-N 2 0 253.346 -0.471 20 0 CBADRP C(CN1CC[NH+](CC2CC[NH2+]CC2)CC1)N1CCOCC1 ZINC001207437220 824427814 /nfs/dbraw/zinc/42/78/14/824427814.db2.gz DWZRPPQODUNBRG-UHFFFAOYSA-N 2 0 296.459 -0.064 20 0 CBADRP C[NH+]1CCC(CC[N@@H+]2CCO[C@@H](C(N)=O)C2)CC1 ZINC001207486286 824428961 /nfs/dbraw/zinc/42/89/61/824428961.db2.gz FVISDDUKWBCHAF-GFCCVEGCSA-N 2 0 255.362 -0.096 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207688010 824433801 /nfs/dbraw/zinc/43/38/01/824433801.db2.gz KYECMCRLBMCKKT-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001208423429 824451995 /nfs/dbraw/zinc/45/19/95/824451995.db2.gz KCVBPWNELJYJMF-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208494351 824454631 /nfs/dbraw/zinc/45/46/31/824454631.db2.gz QSNMFBNJQAIGMH-IJLUTSLNSA-N 2 0 257.378 -0.245 20 0 CBADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496386 824455429 /nfs/dbraw/zinc/45/54/29/824455429.db2.gz RIXIZLGHTVICOJ-JHJVBQTASA-N 2 0 298.431 -0.149 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001209303036 824468628 /nfs/dbraw/zinc/46/86/28/824468628.db2.gz JEIXQDVYZYLZGJ-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC001209303035 824468691 /nfs/dbraw/zinc/46/86/91/824468691.db2.gz JEIXQDVYZYLZGJ-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209420984 824470734 /nfs/dbraw/zinc/47/07/34/824470734.db2.gz YGRDQHDOQPOOGN-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP Cn1nncc1C[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209444706 824471078 /nfs/dbraw/zinc/47/10/78/824471078.db2.gz HWHXAYYCGRMDKP-GFCCVEGCSA-N 2 0 294.403 -0.153 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209420985 824471217 /nfs/dbraw/zinc/47/12/17/824471217.db2.gz YGRDQHDOQPOOGN-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001209444240 824471275 /nfs/dbraw/zinc/47/12/75/824471275.db2.gz DZOMJNYYTIHWFQ-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210685372 824480593 /nfs/dbraw/zinc/48/05/93/824480593.db2.gz UPYMVIARHXIJOA-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP C[NH+](C)CCOCC(=O)N1CCC[C@H]([NH2+]CCCO)C1 ZINC001210667857 824480799 /nfs/dbraw/zinc/48/07/99/824480799.db2.gz JCVXFVHISSTTBO-ZDUSSCGKSA-N 2 0 287.404 -0.472 20 0 CBADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346198 824511206 /nfs/dbraw/zinc/51/12/06/824511206.db2.gz BDTQYQLSWRRVGH-VXGBXAGGSA-N 2 0 273.377 -0.864 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1OC ZINC001213598214 824513624 /nfs/dbraw/zinc/51/36/24/824513624.db2.gz COLQGEMUDHCHRB-VXGBXAGGSA-N 2 0 273.377 -0.864 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214335648 824528040 /nfs/dbraw/zinc/52/80/40/824528040.db2.gz FGOYQPNFTCZKKR-JHJVBQTASA-N 2 0 296.415 -0.395 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214344206 824529988 /nfs/dbraw/zinc/52/99/88/824529988.db2.gz OGHGZCJKDAMNFV-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001215423293 824541641 /nfs/dbraw/zinc/54/16/41/824541641.db2.gz GBSJVEBKHYCLST-GRYCIOLGSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215456420 824541855 /nfs/dbraw/zinc/54/18/55/824541855.db2.gz UJRWZODNXUYFBF-VXGBXAGGSA-N 2 0 284.404 -0.537 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCOCCO ZINC001215461237 824541908 /nfs/dbraw/zinc/54/19/08/824541908.db2.gz XZBOJBHYCOVAHM-CHWSQXEVSA-N 2 0 287.404 -0.617 20 0 CBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001215458726 824541923 /nfs/dbraw/zinc/54/19/23/824541923.db2.gz HIDCCCONDSAWIR-OUAUKWLOSA-N 2 0 270.377 -0.752 20 0 CBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001215994324 824544852 /nfs/dbraw/zinc/54/48/52/824544852.db2.gz ZZUHUJVVONDCQX-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216756214 824549244 /nfs/dbraw/zinc/54/92/44/824549244.db2.gz XSASVOSXQRXJMJ-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCOCCO ZINC001216749995 824549421 /nfs/dbraw/zinc/54/94/21/824549421.db2.gz KQVKBBVXMDDLNR-HZSPNIEDSA-N 2 0 299.415 -0.617 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001216851643 824550937 /nfs/dbraw/zinc/55/09/37/824550937.db2.gz DKRZZWINOWWERK-IJLUTSLNSA-N 2 0 284.404 -0.363 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001216851661 824551132 /nfs/dbraw/zinc/55/11/32/824551132.db2.gz FOCLYFCDLLBQPX-FRRDWIJNSA-N 2 0 296.415 -0.348 20 0 CBADRP C(O[C@@H]1C[C@H]2C[NH2+]CCN2C1)[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217802529 824561916 /nfs/dbraw/zinc/56/19/16/824561916.db2.gz AGDMENBZIJFBER-KHMAMNHCSA-N 2 0 281.400 -0.184 20 0 CBADRP NC(=O)[C@@H]([NH3+])Cc1ccc(OC[C@@H]2C[NH2+]CCCO2)cc1 ZINC001218301285 824566448 /nfs/dbraw/zinc/56/64/48/824566448.db2.gz CGEQBWYARYGVJI-KBPBESRZSA-N 2 0 293.367 -0.201 20 0 CBADRP Cn1cnc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c2ncnc1-2 ZINC001218493948 824568961 /nfs/dbraw/zinc/56/89/61/824568961.db2.gz AIGDXGWOTJBTRX-QMMMGPOBSA-N 2 0 277.332 -0.290 20 0 CBADRP Cc1cnc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)nc1C ZINC001218497827 824570668 /nfs/dbraw/zinc/57/06/68/824570668.db2.gz VBMASSOVZQPBFA-GFCCVEGCSA-N 2 0 292.387 -0.218 20 0 CBADRP Cc1c(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)cnn1C ZINC001218505123 824573754 /nfs/dbraw/zinc/57/37/54/824573754.db2.gz NDWBCVMNJSLWCE-ZWNOBZJWSA-N 2 0 263.345 -0.134 20 0 CBADRP COc1nn(C)cc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218505196 824574247 /nfs/dbraw/zinc/57/42/47/824574247.db2.gz PEVDQQRHBFOLBG-SNVBAGLBSA-N 2 0 267.333 -0.306 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cccnn1 ZINC001218510305 824575857 /nfs/dbraw/zinc/57/58/57/824575857.db2.gz SQQKZMBCGYJZJQ-JTQLQIEISA-N 2 0 264.333 -0.835 20 0 CBADRP Cn1c(NC(=O)[C@@H]([NH3+])CCC[NH3+])nnc1C(F)(F)F ZINC001218514496 824579354 /nfs/dbraw/zinc/57/93/54/824579354.db2.gz AFWIVDOQEVQRDH-YFKPBYRVSA-N 2 0 280.254 -0.161 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1ncnc2n[nH]nc21 ZINC001218515459 824579437 /nfs/dbraw/zinc/57/94/37/824579437.db2.gz GLROVKXZKFMUBO-LURJTMIESA-N 2 0 264.293 -0.857 20 0 CBADRP COc1nc(Cl)cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001218518654 824580098 /nfs/dbraw/zinc/58/00/98/824580098.db2.gz ONDQVPRGFVXVSE-SSDOTTSWSA-N 2 0 297.746 -0.114 20 0 CBADRP [NH3+][C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)sc2C1 ZINC001218532375 824585674 /nfs/dbraw/zinc/58/56/74/824585674.db2.gz GAVGGOYKKANZIW-FJXKBIBVSA-N 2 0 282.369 -0.380 20 0 CBADRP [NH3+][C@H]1CCc2nc(NC(=O)[C@H]3[NH2+]CC[C@@H]3O)sc2C1 ZINC001218535672 824585734 /nfs/dbraw/zinc/58/57/34/824585734.db2.gz ZEFHAHWRQYQYSX-HKPALBBZSA-N 2 0 282.369 -0.380 20 0 CBADRP NC1(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)CC[NH2+]CC1 ZINC001218532716 824585755 /nfs/dbraw/zinc/58/57/55/824585755.db2.gz JIVAHFMVGKSTCE-QMMMGPOBSA-N 2 0 295.412 -0.022 20 0 CBADRP N[C@]1(C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)CCC[NH2+]C1 ZINC001218531751 824586240 /nfs/dbraw/zinc/58/62/40/824586240.db2.gz AZOHDVAIKOCHQE-AMIZOPFISA-N 2 0 295.412 -0.022 20 0 CBADRP COc1cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)ncn1 ZINC001218536561 824587792 /nfs/dbraw/zinc/58/77/92/824587792.db2.gz WJPLVOWGODEOBF-QMMMGPOBSA-N 2 0 263.301 -0.767 20 0 CBADRP CCn1cc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])cn1 ZINC001218544829 824588869 /nfs/dbraw/zinc/58/88/69/824588869.db2.gz JKRFWJKSBJSJRV-VIFPVBQESA-N 2 0 257.363 -0.139 20 0 CBADRP Cc1noc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1C(N)=O ZINC001218551064 824589162 /nfs/dbraw/zinc/58/91/62/824589162.db2.gz BORLCLNQDPWBTE-LURJTMIESA-N 2 0 287.345 -0.960 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC001218551591 824589537 /nfs/dbraw/zinc/58/95/37/824589537.db2.gz QHHUDTIQHSCVIZ-LBPRGKRZSA-N 2 0 293.371 -0.077 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1onc(C)c1C(N)=O ZINC001218551767 824589633 /nfs/dbraw/zinc/58/96/33/824589633.db2.gz UWJAIHSTHMHCKF-QMMMGPOBSA-N 2 0 283.332 -0.263 20 0 CBADRP Cn1ncc2c1ncnc2NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218557402 824590469 /nfs/dbraw/zinc/59/04/69/824590469.db2.gz QXYRRFXCYOUNCL-VIFPVBQESA-N 2 0 287.327 -0.889 20 0 CBADRP [NH3+][C@@H](C(=O)Nc1ncnn2cccc12)C1CC[NH2+]CC1 ZINC001218564939 824593855 /nfs/dbraw/zinc/59/38/55/824593855.db2.gz MVEVOZYEWRTTQG-LLVKDONJSA-N 2 0 274.328 -0.583 20 0 CBADRP O=C(Nc1cncc(O)c1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218573731 824596536 /nfs/dbraw/zinc/59/65/36/824596536.db2.gz KHTDKCHDVWFBJS-NOZJJQNGSA-N 2 0 262.313 -0.075 20 0 CBADRP COc1cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)no1 ZINC001218574303 824597564 /nfs/dbraw/zinc/59/75/64/824597564.db2.gz QMSRGVVTJDMKHV-ZETCQYMHSA-N 2 0 252.274 -0.569 20 0 CBADRP CC(=O)Nc1cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)ncn1 ZINC001218609576 824603744 /nfs/dbraw/zinc/60/37/44/824603744.db2.gz HWYCBKHOEAMPQT-SECBINFHSA-N 2 0 290.327 -0.818 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1cnc2n[nH]cc2c1 ZINC001218615218 824605080 /nfs/dbraw/zinc/60/50/80/824605080.db2.gz UMVZRSRAFUOERO-VIFPVBQESA-N 2 0 280.357 -0.084 20 0 CBADRP Nc1cnc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)cn1 ZINC001218623158 824605684 /nfs/dbraw/zinc/60/56/84/824605684.db2.gz AUJFKYJMOWMMTP-JTQLQIEISA-N 2 0 250.306 -0.676 20 0 CBADRP CN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)c1nccnc1N ZINC001218623802 824607751 /nfs/dbraw/zinc/60/77/51/824607751.db2.gz SDDWZRQKRRBTDS-SECBINFHSA-N 2 0 264.333 -0.652 20 0 CBADRP COc1nccc(N)c1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218634492 824610634 /nfs/dbraw/zinc/61/06/34/824610634.db2.gz UJFSIQWUEOHMSS-QMMMGPOBSA-N 2 0 277.328 -0.580 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218641778 824612371 /nfs/dbraw/zinc/61/23/71/824612371.db2.gz UWCPAKKKGPVRFY-QMMMGPOBSA-N 2 0 259.260 -0.052 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218641792 824612907 /nfs/dbraw/zinc/61/29/07/824612907.db2.gz VJSSTXJUFAGZBX-JTQLQIEISA-N 3 0 280.376 -0.188 20 0 CBADRP COC(=O)c1n[nH]c(C)c1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218639584 824612916 /nfs/dbraw/zinc/61/29/16/824612916.db2.gz ICLDYWPVQPMHAQ-SECBINFHSA-N 2 0 295.343 -0.230 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640164 824612933 /nfs/dbraw/zinc/61/29/33/824612933.db2.gz KFAIHEJSJZRVJU-NSHDSACASA-N 2 0 275.316 -0.741 20 0 CBADRP CNc1ccc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cn1 ZINC001218653883 824616477 /nfs/dbraw/zinc/61/64/77/824616477.db2.gz CSPNYUMPGSJIHL-GFCCVEGCSA-N 2 0 292.387 -0.188 20 0 CBADRP CNc1ccc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cn1 ZINC001218654141 824616812 /nfs/dbraw/zinc/61/68/12/824616812.db2.gz FCMIQERMABGJEL-SNVBAGLBSA-N 2 0 261.329 -0.129 20 0 CBADRP CNc1ccc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cn1 ZINC001218653888 824617386 /nfs/dbraw/zinc/61/73/86/824617386.db2.gz CSPNYUMPGSJIHL-LBPRGKRZSA-N 2 0 292.387 -0.188 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ccn2cnnc2c1 ZINC001218658810 824618536 /nfs/dbraw/zinc/61/85/36/824618536.db2.gz JEDBVZRCUHBOGI-VIFPVBQESA-N 2 0 280.357 -0.313 20 0 CBADRP CCOC(=O)c1ncncc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218679721 824620840 /nfs/dbraw/zinc/62/08/40/824620840.db2.gz VSLWHRFNOXXQLQ-QMMMGPOBSA-N 2 0 281.316 -0.342 20 0 CBADRP Nc1cc[nH]c(=O)c1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218678191 824621001 /nfs/dbraw/zinc/62/10/01/824621001.db2.gz GLISLLRQBZFVAK-SNVBAGLBSA-N 2 0 294.359 -0.942 20 0 CBADRP Nc1cnc(Cl)c(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001218674136 824621092 /nfs/dbraw/zinc/62/10/92/824621092.db2.gz RTDQWDKAZZSFBQ-LURJTMIESA-N 2 0 282.735 -0.540 20 0 CBADRP Nc1cn(C(=O)CN2CCCC[C@H]([NH3+])C2=O)ccc1=[NH2+] ZINC001218693794 824622101 /nfs/dbraw/zinc/62/21/01/824622101.db2.gz OFCRVBHWOWQBES-JTQLQIEISA-N 2 0 277.328 -0.470 20 0 CBADRP CCOc1cc(N)n(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c(=N)n1 ZINC001218681433 824622130 /nfs/dbraw/zinc/62/21/30/824622130.db2.gz UHDKUNAMOPUOCO-NSHDSACASA-N 2 0 294.359 -0.689 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)n1ccc(=[NH2+])c(N)c1 ZINC001218693237 824622182 /nfs/dbraw/zinc/62/21/82/824622182.db2.gz HYRULTCWTUIBAU-WNWIJWBNSA-N 2 0 256.331 -0.714 20 0 CBADRP Cc1cc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])cc(=O)o1 ZINC001218681320 824622608 /nfs/dbraw/zinc/62/26/08/824622608.db2.gz BEHUHFJJQAOCCU-VIFPVBQESA-N 2 0 271.342 -0.094 20 0 CBADRP Cc1nc2[nH]cnc2c(NC(=O)[C@H]([NH3+])CCC[NH3+])n1 ZINC001218699323 824623926 /nfs/dbraw/zinc/62/39/26/824623926.db2.gz HRRIKROHHILNDG-SSDOTTSWSA-N 2 0 263.305 -0.334 20 0 CBADRP Cc1ncn(C)c1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218698580 824624041 /nfs/dbraw/zinc/62/40/41/824624041.db2.gz WMGWUWFTBHLGRV-NSHDSACASA-N 2 0 280.376 -0.583 20 0 CBADRP CC(=O)c1nn(C)cc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218707531 824626682 /nfs/dbraw/zinc/62/66/82/824626682.db2.gz KRSDBHAUSNKYRY-SECBINFHSA-N 2 0 277.328 -0.630 20 0 CBADRP O=C(CN1CC[NH2+]CC1)Nc1cc([C@H]2CCC[NH2+]2)no1 ZINC001218710452 824627411 /nfs/dbraw/zinc/62/74/11/824627411.db2.gz FWHHALRZUQWTGQ-SNVBAGLBSA-N 2 0 279.344 -0.057 20 0 CBADRP COC[C@H](C)Oc1cc(NC(=O)[C@H]([NH3+])CCC[NH3+])[nH]n1 ZINC001218718005 824627652 /nfs/dbraw/zinc/62/76/52/824627652.db2.gz BKFIKMGTXHOTOF-DTWKUNHWSA-N 2 0 285.348 -0.172 20 0 CBADRP [NH3+]CCCNCC(=O)Nc1cc([C@H]2CCC[NH2+]2)no1 ZINC001218711587 824627793 /nfs/dbraw/zinc/62/77/93/824627793.db2.gz LEECJKHVUORDFW-SECBINFHSA-N 2 0 267.333 -0.024 20 0 CBADRP Cc1cc(=O)c(N)c(C)n1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218717895 824627905 /nfs/dbraw/zinc/62/79/05/824627905.db2.gz AATFVBFFDZBFRW-VIFPVBQESA-N 2 0 284.385 -0.293 20 0 CBADRP O=C(Nc1cc([C@H]2CCC[NH2+]2)no1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218711653 824628105 /nfs/dbraw/zinc/62/81/05/824628105.db2.gz LVMRBJYOEQMOST-NXEZZACHSA-N 3 0 291.355 -0.153 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218728044 824628846 /nfs/dbraw/zinc/62/88/46/824628846.db2.gz RBMIVGNFGAGFKP-MNOVXSKESA-N 2 0 279.344 -0.563 20 0 CBADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@@H]1C[NH2+]CCN1 ZINC001218728006 824629042 /nfs/dbraw/zinc/62/90/42/824629042.db2.gz QRTWSZSNEYSUTD-NEPJUHHUSA-N 2 0 291.355 -0.678 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218724866 824629499 /nfs/dbraw/zinc/62/94/99/824629499.db2.gz NNMRKNSOBPAYML-LBPRGKRZSA-N 2 0 292.387 -0.376 20 0 CBADRP Cc1cnn(CCO)c1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218749908 824632743 /nfs/dbraw/zinc/63/27/43/824632743.db2.gz LYYKYEKFJQIXOI-LLVKDONJSA-N 2 0 281.360 -0.551 20 0 CBADRP COc1nc(NC(=O)[C@@H]([NH3+])CCC[NH3+])c(C)c(OC)n1 ZINC001218767479 824636389 /nfs/dbraw/zinc/63/63/89/824636389.db2.gz AJJZSMCDDYKARH-QMMMGPOBSA-N 2 0 283.332 -0.193 20 0 CBADRP Cc1cncnc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218792761 824638651 /nfs/dbraw/zinc/63/86/51/824638651.db2.gz PBDFXPGTDLZIPH-ZWNOBZJWSA-N 2 0 261.329 -0.077 20 0 CBADRP O=C(Nc1c[nH]ccc1=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218795795 824640166 /nfs/dbraw/zinc/64/01/66/824640166.db2.gz MPJAHFYRCABLIL-NOZJJQNGSA-N 2 0 262.313 -0.488 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCCO)C[C@@H]21 ZINC001218905321 824645525 /nfs/dbraw/zinc/64/55/25/824645525.db2.gz RDSYWTYQFJDHMW-UONOGXRCSA-N 2 0 299.415 -0.378 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](C[C@H](C)O)C[C@@H]21 ZINC001218918940 824646680 /nfs/dbraw/zinc/64/66/80/824646680.db2.gz KNTJAOZXUKPPDO-MELADBBJSA-N 2 0 299.415 -0.379 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)CCNC2=O ZINC001218935166 824649043 /nfs/dbraw/zinc/64/90/43/824649043.db2.gz QVGFQFAQNPRONQ-GFCCVEGCSA-N 2 0 276.340 -0.023 20 0 CBADRP NC(=O)Cc1cccc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001218953933 824649545 /nfs/dbraw/zinc/64/95/45/824649545.db2.gz HAXYLDFRBSJXOJ-GFCCVEGCSA-N 2 0 288.351 -0.538 20 0 CBADRP NC(=O)Cc1cccc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001218953940 824649552 /nfs/dbraw/zinc/64/95/52/824649552.db2.gz HAXYLDFRBSJXOJ-LBPRGKRZSA-N 2 0 288.351 -0.538 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1ccc2[nH]c(=O)cnc2c1 ZINC001219437713 824709818 /nfs/dbraw/zinc/70/98/18/824709818.db2.gz DDTRUUGAYMVKED-VIFPVBQESA-N 2 0 275.312 -0.072 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1ccc2[nH]c(=O)cnc2c1 ZINC001219437708 824710146 /nfs/dbraw/zinc/71/01/46/824710146.db2.gz DDTRUUGAYMVKED-SECBINFHSA-N 2 0 275.312 -0.072 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219540380 824725427 /nfs/dbraw/zinc/72/54/27/824725427.db2.gz GDABLNALCRCVPM-YVNDNENWSA-N 2 0 288.351 -0.380 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001219554097 824726751 /nfs/dbraw/zinc/72/67/51/824726751.db2.gz WDMARRANECBLNB-SNVBAGLBSA-N 2 0 273.381 -0.780 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219555594 824728185 /nfs/dbraw/zinc/72/81/85/824728185.db2.gz HTJWSCJHAVBJER-ZDUSSCGKSA-N 3 0 285.436 -0.805 20 0 CBADRP CC(C)OCCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219559563 824729421 /nfs/dbraw/zinc/72/94/21/824729421.db2.gz BUUBHCVCCQKELB-GFCCVEGCSA-N 2 0 272.393 -0.722 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCCn1ccnc1 ZINC001219563661 824730553 /nfs/dbraw/zinc/73/05/53/824730553.db2.gz GMBVVXOKCIALKF-NSHDSACASA-N 2 0 253.350 -0.154 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCCn1ccnn1 ZINC001219566076 824733080 /nfs/dbraw/zinc/73/30/80/824733080.db2.gz SCJBNYYMDKHSCX-NSHDSACASA-N 2 0 268.365 -0.547 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)C[NH2+]1 ZINC001219579651 824734109 /nfs/dbraw/zinc/73/41/09/824734109.db2.gz CGFOEJUQSLQBAH-ATZCPNFKSA-N 2 0 251.334 -0.464 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCN2C)C[NH2+]1 ZINC001219586844 824735971 /nfs/dbraw/zinc/73/59/71/824735971.db2.gz GSTIGURDDSJGNS-SRVKXCTJSA-N 2 0 254.378 -0.511 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)C[NH2+]1 ZINC001219582673 824736453 /nfs/dbraw/zinc/73/64/53/824736453.db2.gz IIHGVSYYMPIIBR-SRVKXCTJSA-N 2 0 294.399 -0.641 20 0 CBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219589505 824737301 /nfs/dbraw/zinc/73/73/01/824737301.db2.gz SVMPXPIZCNSTAD-DRZSPHRISA-N 2 0 284.404 -0.123 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])C(=O)C12CCC([NH3+])(CC1)CC2 ZINC001219595514 824738711 /nfs/dbraw/zinc/73/87/11/824738711.db2.gz DCPNBIDDWILAIG-UHFFFAOYSA-N 2 0 289.401 -0.215 20 0 CBADRP Cc1cnc(CCNC(=O)[C@@H]([NH3+])CCC[NH3+])nc1 ZINC001219600933 824740615 /nfs/dbraw/zinc/74/06/15/824740615.db2.gz JDTOMPFRQDAKHO-JTQLQIEISA-N 2 0 251.334 -0.490 20 0 CBADRP Cc1ncc(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)s1 ZINC001219597231 824740696 /nfs/dbraw/zinc/74/06/96/824740696.db2.gz FGGBORCEXWRGRD-GFCCVEGCSA-N 2 0 297.428 -0.182 20 0 CBADRP Cc1ccnc(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001219600304 824741171 /nfs/dbraw/zinc/74/11/71/824741171.db2.gz OUZZJTYWTASNNH-GFCCVEGCSA-N 2 0 292.387 -0.848 20 0 CBADRP Cc1cnc(CCNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)nc1 ZINC001219600707 824741633 /nfs/dbraw/zinc/74/16/33/824741633.db2.gz DGCLZIFAALVIRU-CYBMUJFWSA-N 2 0 277.372 -0.229 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611444 824854066 /nfs/dbraw/zinc/85/40/66/824854066.db2.gz ZAZXRYFAFCKKAC-IONNQARKSA-N 3 0 268.283 -0.537 20 0 CBADRP Cc1cc(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)no1 ZINC001219604324 824849728 /nfs/dbraw/zinc/84/97/28/824849728.db2.gz MQGYKPSOTDGYIR-SNVBAGLBSA-N 2 0 250.302 -0.592 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H](O)c1ccco1 ZINC001219604744 824851049 /nfs/dbraw/zinc/85/10/49/824851049.db2.gz YIYMCIJXTGDUCW-NEPJUHHUSA-N 2 0 296.371 -0.820 20 0 CBADRP O=C(NC[C@H](O)c1ccco1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219604358 824851517 /nfs/dbraw/zinc/85/15/17/824851517.db2.gz NEOWAOGXYVXIOS-UWVGGRQHSA-N 2 0 265.313 -0.762 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219608090 824852117 /nfs/dbraw/zinc/85/21/17/824852117.db2.gz OOMGWLOMNBQYDF-WCBMZHEXSA-N 2 0 291.277 -0.310 20 0 CBADRP Cc1nocc1CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219607911 824853219 /nfs/dbraw/zinc/85/32/19/824853219.db2.gz GZBSUGNHTRSKMI-LBPRGKRZSA-N 2 0 281.360 -0.650 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219610614 824854379 /nfs/dbraw/zinc/85/43/79/824854379.db2.gz POBQJEYHPNUSHS-XPUUQOCRSA-N 2 0 254.256 -0.927 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219609908 824855118 /nfs/dbraw/zinc/85/51/18/824855118.db2.gz HUKYUOULZHTUBI-NSHDSACASA-N 2 0 294.321 -0.261 20 0 CBADRP CC(C)(C)[C@@H]([NH3+])C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219616984 824856506 /nfs/dbraw/zinc/85/65/06/824856506.db2.gz FVZWXQHRNRDEKE-HOTUBEGUSA-N 2 0 261.341 -0.462 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1C[C@]12CC[NH2+]C2 ZINC001219617366 824856558 /nfs/dbraw/zinc/85/65/58/824856558.db2.gz LTUYSQQZNQKUSO-RSLMWUCJSA-N 2 0 271.336 -0.835 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1CC[NH2+]C[C@H]1F ZINC001219622549 824860407 /nfs/dbraw/zinc/86/04/07/824860407.db2.gz XAGYDRVYDUUZCP-MIZYBKAJSA-N 2 0 277.315 -0.887 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219621938 824861002 /nfs/dbraw/zinc/86/10/02/824861002.db2.gz JZHFNYQEFCRDEG-OUJBWJOFSA-N 2 0 273.352 -0.589 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219620299 824862222 /nfs/dbraw/zinc/86/22/22/824862222.db2.gz ZJPJPZXUBGGSGY-MBNYWOFBSA-N 2 0 287.379 -0.105 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCCN1CCCCO1 ZINC001219632939 824866053 /nfs/dbraw/zinc/86/60/53/824866053.db2.gz UOVIDYLYBNEOCK-LBPRGKRZSA-N 2 0 272.393 -0.024 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCCN1CCCCO1 ZINC001219632422 824866623 /nfs/dbraw/zinc/86/66/23/824866623.db2.gz MQVZHCTXCWSGFP-NSHDSACASA-N 2 0 258.366 -0.414 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)CC[NH+]2CCN(C)CC2)C1 ZINC001219641606 824869746 /nfs/dbraw/zinc/86/97/46/824869746.db2.gz JIIRFYUZFORWTB-UONOGXRCSA-N 2 0 282.432 -0.014 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001219642278 824869775 /nfs/dbraw/zinc/86/97/75/824869775.db2.gz QYGAQWVLGDGOGV-RGCMKSIDSA-N 3 0 280.416 -0.453 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[NH2+]C[C@H](O)C2)C1 ZINC001219641657 824869795 /nfs/dbraw/zinc/86/97/95/824869795.db2.gz JWKCBXDXFOLQLI-WHOHXGKFSA-N 2 0 255.362 -0.681 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001219641948 824869828 /nfs/dbraw/zinc/86/98/28/824869828.db2.gz NDJBCTDFIPQHET-SRVKXCTJSA-N 3 0 266.389 -0.843 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001219642038 824870296 /nfs/dbraw/zinc/87/02/96/824870296.db2.gz OKUYFGHHKFTTLZ-FPYNETTCSA-N 2 0 266.389 -0.702 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001219642276 824870524 /nfs/dbraw/zinc/87/05/24/824870524.db2.gz QYGAQWVLGDGOGV-KYEXWDHISA-N 3 0 280.416 -0.453 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC001219645711 824871458 /nfs/dbraw/zinc/87/14/58/824871458.db2.gz MIENAHHZDRWJLC-AVGNSLFASA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC001219642786 824872024 /nfs/dbraw/zinc/87/20/24/824872024.db2.gz XTEAFEGDZMISEY-SRVKXCTJSA-N 2 0 267.373 -0.131 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219649813 824872646 /nfs/dbraw/zinc/87/26/46/824872646.db2.gz LEXHHCSTKKXELR-BNOWGMLFSA-N 2 0 298.431 -0.018 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@]2(N)CCC[NH2+]C2)C1 ZINC001219650383 824872683 /nfs/dbraw/zinc/87/26/83/824872683.db2.gz OMXPVMVJRXKKCM-GVXVVHGQSA-N 2 0 254.378 -0.571 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219650981 824872734 /nfs/dbraw/zinc/87/27/34/824872734.db2.gz SEXOSVBUICOMMT-CZXHOFHRSA-N 2 0 298.431 -0.162 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219650984 824873223 /nfs/dbraw/zinc/87/32/23/824873223.db2.gz SEXOSVBUICOMMT-UHXUPSOCSA-N 2 0 298.431 -0.162 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001219650546 824873487 /nfs/dbraw/zinc/87/34/87/824873487.db2.gz PFYMUAQPXGCUPW-TUAOUCFPSA-N 2 0 282.388 -0.702 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219649819 824873511 /nfs/dbraw/zinc/87/35/11/824873511.db2.gz LEXHHCSTKKXELR-YUTCNCBUSA-N 2 0 298.431 -0.018 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001219646609 824873676 /nfs/dbraw/zinc/87/36/76/824873676.db2.gz VXQNARYQZWKPOL-UTUOFQBUSA-N 3 0 256.394 -0.196 20 0 CBADRP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219658330 824874553 /nfs/dbraw/zinc/87/45/53/824874553.db2.gz JOUGSGDOCDYJBD-SYQHCUMBSA-N 2 0 299.415 -0.476 20 0 CBADRP CCOC(=O)c1nc[nH]c1CNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001219673181 824877057 /nfs/dbraw/zinc/87/70/57/824877057.db2.gz FXVHVSZIRHKRMP-QMMMGPOBSA-N 2 0 283.332 -0.731 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC1(C(N)=O)CC1 ZINC001219682292 824878005 /nfs/dbraw/zinc/87/80/05/824878005.db2.gz JLIZPJKSNRAVDZ-VIFPVBQESA-N 2 0 256.350 -0.820 20 0 CBADRP C[C@@H]1C[C@@H](CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[NH2+]1 ZINC001219684539 824878933 /nfs/dbraw/zinc/87/89/33/824878933.db2.gz PLNPEOCNIZIMQK-UPJWGTAASA-N 3 0 280.416 -0.025 20 0 CBADRP CN1CCO[C@@H](CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001219695774 824881386 /nfs/dbraw/zinc/88/13/86/824881386.db2.gz YAVXKSMSMADVPK-QWHCGFSZSA-N 2 0 296.415 -0.693 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219703140 824882849 /nfs/dbraw/zinc/88/28/49/824882849.db2.gz BZIFKIJVAKTPNK-CYBMUJFWSA-N 2 0 263.341 -0.342 20 0 CBADRP O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@H]1C[NH2+]C[C@@H]1O ZINC001219705261 824882913 /nfs/dbraw/zinc/88/29/13/824882913.db2.gz FTPRDCBRACGBMY-KBPBESRZSA-N 2 0 275.352 -0.471 20 0 CBADRP O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219703400 824882960 /nfs/dbraw/zinc/88/29/60/824882960.db2.gz IRNUXFKQLSUSDU-KBPBESRZSA-N 2 0 275.352 -0.329 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1CC[C@H](C(F)(F)F)C[NH2+]1 ZINC001219712767 824884543 /nfs/dbraw/zinc/88/45/43/824884543.db2.gz VZPKTLBGCAHZBV-RBXMUDONSA-N 2 0 281.278 -0.634 20 0 CBADRP C[NH2+][C@@H](COCc1ccccc1)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720706 824886099 /nfs/dbraw/zinc/88/60/99/824886099.db2.gz PQHJVYLBUIDBJT-MJBXVCDLSA-N 2 0 293.367 -0.367 20 0 CBADRP CC(C)[C@]1(C(=O)N[C@@H]2COC[C@@H]2[NH3+])CCC[NH2+]C1 ZINC001219720013 824887235 /nfs/dbraw/zinc/88/72/35/824887235.db2.gz DCQVYBUDMJZLAS-LOWVWBTDSA-N 2 0 255.362 -0.146 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741480 824887603 /nfs/dbraw/zinc/88/76/03/824887603.db2.gz LTDGGEDUORTGKH-QWRGUYRKSA-N 2 0 271.361 -0.887 20 0 CBADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CC[NH2+]C[C@@H]1F ZINC001219739215 824887756 /nfs/dbraw/zinc/88/77/56/824887756.db2.gz JJRLXFFSYABHHU-DCAQKATOSA-N 2 0 271.336 -0.571 20 0 CBADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001219737223 824888101 /nfs/dbraw/zinc/88/81/01/824888101.db2.gz QTFONCUIKGHIGO-QNWHQSFQSA-N 2 0 295.383 -0.752 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219739174 824888790 /nfs/dbraw/zinc/88/87/90/824888790.db2.gz ILOYWMAXRRLENF-MNOVXSKESA-N 2 0 285.388 -0.377 20 0 CBADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219743671 824889628 /nfs/dbraw/zinc/88/96/28/824889628.db2.gz JLPDMEVPOBIGTA-SRVKXCTJSA-N 2 0 283.372 -0.873 20 0 CBADRP O=C(C=C1CC[NH2+]CC1)NCc1nnc2n1CCC[NH2+]C2 ZINC001219750029 824890458 /nfs/dbraw/zinc/89/04/58/824890458.db2.gz UZRJYPZJRKFXSB-UHFFFAOYSA-N 2 0 290.371 -0.303 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)C1 ZINC001219764349 824890548 /nfs/dbraw/zinc/89/05/48/824890548.db2.gz DLVQPLQWJUVGEQ-MQYQWHSLSA-N 2 0 280.416 -0.216 20 0 CBADRP N[C@@]1(C(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)O2)CCC[NH2+]C1 ZINC001219743860 824890600 /nfs/dbraw/zinc/89/06/00/824890600.db2.gz NZDODGPABSWCNM-WFASDCNBSA-N 2 0 296.415 -0.515 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219769150 824891804 /nfs/dbraw/zinc/89/18/04/824891804.db2.gz SZSPKNZKMJVJAJ-KYVFDEKUSA-N 2 0 279.381 -0.710 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)NC[C@]1(F)CCC[NH2+]C1 ZINC001219767776 824892216 /nfs/dbraw/zinc/89/22/16/824892216.db2.gz DWTAWVKKIRHQMX-ZDUSSCGKSA-N 2 0 272.368 -0.464 20 0 CBADRP N[C@]1(C(=O)NC2CC3(C2)CC[NH2+]CC3)CCC[NH2+]C1 ZINC001219777250 824893309 /nfs/dbraw/zinc/89/33/09/824893309.db2.gz DXEPOVPRJBOTSH-CQSZACIVSA-N 2 0 266.389 -0.284 20 0 CBADRP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777370 824893319 /nfs/dbraw/zinc/89/33/19/824893319.db2.gz HQDBHGSNXDZPKA-STQMWFEESA-N 2 0 295.383 -0.214 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1C[NH2+]CC[C@H]1O ZINC001219773425 824893449 /nfs/dbraw/zinc/89/34/49/824893449.db2.gz RTSVCIZGCXMTON-VXGBXAGGSA-N 2 0 267.373 -0.395 20 0 CBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219773106 824893692 /nfs/dbraw/zinc/89/36/92/824893692.db2.gz LSJLGICTFNTLBC-LLVKDONJSA-N 2 0 297.403 -0.589 20 0 CBADRP N[C@@]1(C(=O)NC2CC3(C2)CC[NH2+]CC3)CCC[NH2+]C1 ZINC001219777249 824894035 /nfs/dbraw/zinc/89/40/35/824894035.db2.gz DXEPOVPRJBOTSH-AWEZNQCLSA-N 2 0 266.389 -0.284 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1[NH2+]CC[C@H]1O ZINC001219780371 824894313 /nfs/dbraw/zinc/89/43/13/824894313.db2.gz WHFARYAZEPAOJR-MNOVXSKESA-N 2 0 253.346 -0.642 20 0 CBADRP CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805930 824894826 /nfs/dbraw/zinc/89/48/26/824894826.db2.gz WODLUIBFCFJSSW-FRRDWIJNSA-N 2 0 269.389 -0.102 20 0 CBADRP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798922 824895402 /nfs/dbraw/zinc/89/54/02/824895402.db2.gz YHXNPVRIOMZAKT-UPJWGTAASA-N 2 0 299.415 -0.333 20 0 CBADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)C1CC2(C[NH2+]C2)C1 ZINC001219800823 824895621 /nfs/dbraw/zinc/89/56/21/824895621.db2.gz NWUMGNXEWLGHCV-LBPRGKRZSA-N 2 0 279.384 -0.129 20 0 CBADRP [NH3+][C@H]1CC[C@@H]1C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219801358 824896188 /nfs/dbraw/zinc/89/61/88/824896188.db2.gz YJQWMDDSXFUGSS-DCAQKATOSA-N 2 0 253.346 -0.392 20 0 CBADRP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O)C1CC1 ZINC001219804174 824896519 /nfs/dbraw/zinc/89/65/19/824896519.db2.gz OODROBASSLDQDX-AGIUHOORSA-N 2 0 287.379 -0.153 20 0 CBADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CC[NH2+]C[C@H]1F ZINC001219814826 824897337 /nfs/dbraw/zinc/89/73/37/824897337.db2.gz NDAJYTBGRPAXNG-KQXIARHKSA-N 2 0 271.336 -0.714 20 0 CBADRP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@H]1C[NH2+]CCN1 ZINC001219816817 824897494 /nfs/dbraw/zinc/89/74/94/824897494.db2.gz ROFXVTKNNZIMSJ-MCIONIFRSA-N 2 0 274.368 -0.233 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219816115 824897516 /nfs/dbraw/zinc/89/75/16/824897516.db2.gz ZGSFWZKDXDCVFC-NEPJUHHUSA-N 2 0 255.362 -0.348 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219812884 824897628 /nfs/dbraw/zinc/89/76/28/824897628.db2.gz KFSFRUXXJJGSJJ-MNXVOIDGSA-N 2 0 267.373 -0.273 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219815213 824898264 /nfs/dbraw/zinc/89/82/64/824898264.db2.gz VAFDBUHCIHGTLS-OBJOEFQTSA-N 3 0 284.404 -0.815 20 0 CBADRP [NH3+][C@H](C(=O)NCc1noc2c1C[NH2+]CC2)C1CC[NH2+]CC1 ZINC001219811101 824898288 /nfs/dbraw/zinc/89/82/88/824898288.db2.gz KACDQXFPPLBUBS-ZDUSSCGKSA-N 3 0 293.371 -0.737 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC001219813637 824898309 /nfs/dbraw/zinc/89/83/09/824898309.db2.gz YAJAHYQZQOANTD-UHXUPSOCSA-N 2 0 267.373 -0.273 20 0 CBADRP N[C@@]1(C(=O)NCc2noc3c2C[NH2+]CC3)CCC[NH2+]C1 ZINC001219810898 824898588 /nfs/dbraw/zinc/89/85/88/824898588.db2.gz GJUJLCDGEOCWAR-ZDUSSCGKSA-N 2 0 279.344 -0.983 20 0 CBADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)C1CC2(C[NH2+]C2)C1 ZINC001219831261 824899093 /nfs/dbraw/zinc/89/90/93/824899093.db2.gz DOAJLMDKOVUXNF-JLLWLGSASA-N 2 0 265.357 -0.521 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CC[NH2+]C1 ZINC001219831701 824899576 /nfs/dbraw/zinc/89/95/76/824899576.db2.gz UTZDFWCHRXSFJM-DCQANWLSSA-N 2 0 253.346 -0.521 20 0 CBADRP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@@H]1C[NH2+]C[C@H]1O ZINC001219825838 824899732 /nfs/dbraw/zinc/89/97/32/824899732.db2.gz NAQQVNHDJNFTEI-OPRDCNLKSA-N 2 0 267.354 -0.411 20 0 CBADRP [NH3+][C@@H](CC1CCC1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831799 824900089 /nfs/dbraw/zinc/90/00/89/824900089.db2.gz YSTBBJQXLHTEIO-NDBYEHHHSA-N 2 0 267.373 -0.003 20 0 CBADRP O=C(N[C@H]1C[NH2+]Cc2ccsc21)[C@@H]1C[NH2+]CCN1 ZINC001219825265 824900578 /nfs/dbraw/zinc/90/05/78/824900578.db2.gz GHTZPWFBPPELEO-UWVGGRQHSA-N 2 0 266.370 -0.430 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)CC[NH2+]C1 ZINC001219836660 824901039 /nfs/dbraw/zinc/90/10/39/824901039.db2.gz BOWUGRONMPLRQA-AEGPPILISA-N 2 0 297.399 -0.503 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219836818 824901160 /nfs/dbraw/zinc/90/11/60/824901160.db2.gz FKUBFGVFZQTNDE-GVXVVHGQSA-N 2 0 271.361 -0.908 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CCC[NH2+]1 ZINC001219838497 824901344 /nfs/dbraw/zinc/90/13/44/824901344.db2.gz QXLIABMQFXCTBT-CFVMTHIKSA-N 2 0 297.399 -0.360 20 0 CBADRP [NH3+][C@H](C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)C1CCCCC1 ZINC001219854001 824902572 /nfs/dbraw/zinc/90/25/72/824902572.db2.gz AVXKMSDKBQEOKW-XQHKEYJVSA-N 2 0 267.373 -0.003 20 0 CBADRP CC1(C)C[NH2+][C@@](C)(C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001219853953 824903436 /nfs/dbraw/zinc/90/34/36/824903436.db2.gz AHXFHFZYPGIAGK-FBKDDSFISA-N 2 0 267.373 -0.132 20 0 CBADRP [NH3+][C@@H](Cc1ccsc1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854858 824903450 /nfs/dbraw/zinc/90/34/50/824903450.db2.gz YSFXTIDCDGRBIU-NOOOWODRSA-N 2 0 281.381 -0.279 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC001219865482 824903932 /nfs/dbraw/zinc/90/39/32/824903932.db2.gz PSENJANDQHPFQI-RWMBFGLXSA-N 2 0 263.341 -0.173 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1C[NH2+]C[C@@]12c1ccccc1NC2=O ZINC001219867262 824904254 /nfs/dbraw/zinc/90/42/54/824904254.db2.gz FZCCNVFYYUQLHW-QMTHXVAHSA-N 2 0 274.324 -0.829 20 0 CBADRP [NH3+]CCNC(=O)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC001219874234 824906344 /nfs/dbraw/zinc/90/63/44/824906344.db2.gz FUILUIPCWDAYOQ-VIFPVBQESA-N 2 0 250.302 -0.489 20 0 CBADRP Cn1cc2c(n1)[C@@H](CNC(=O)[C@@H]([NH3+])CCC[NH3+])OCC2 ZINC001219885148 824909529 /nfs/dbraw/zinc/90/95/29/824909529.db2.gz IRFGFXPRCRMGJW-WDEREUQCSA-N 2 0 281.360 -0.784 20 0 CBADRP CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001219890664 824910627 /nfs/dbraw/zinc/91/06/27/824910627.db2.gz JMZVRHYNDRUZFK-GVXVVHGQSA-N 2 0 268.361 -0.820 20 0 CBADRP CC(C)[C@]1(C(=O)NCC[NH2+]CCO)CCC[NH2+]C1 ZINC001219919095 824915002 /nfs/dbraw/zinc/91/50/02/824915002.db2.gz XILCGSBPWIXQSH-ZDUSSCGKSA-N 2 0 257.378 -0.290 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@@H](O)COc1ccccc1 ZINC001219917968 824915051 /nfs/dbraw/zinc/91/50/51/824915051.db2.gz ACQSEHOAXZAZRC-YPMHNXCESA-N 2 0 281.356 -0.391 20 0 CBADRP O=C(NC[C@@H]1Cc2ccccc2O1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219924931 824916744 /nfs/dbraw/zinc/91/67/44/824916744.db2.gz CAUJXAGEKNEKRT-STQMWFEESA-N 2 0 287.363 -0.085 20 0 CBADRP Cc1c[nH]c(CCNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001219952025 824919927 /nfs/dbraw/zinc/91/99/27/824919927.db2.gz LSSZTPAVGMCCPO-LBPRGKRZSA-N 2 0 294.403 -0.873 20 0 CBADRP CC(C)(C)C(=O)CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219945553 824920977 /nfs/dbraw/zinc/92/09/77/824920977.db2.gz MSBHSWAJWATQPQ-LLVKDONJSA-N 2 0 284.404 -0.532 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC001219945421 824921099 /nfs/dbraw/zinc/92/10/99/824921099.db2.gz JOLSWHKEKFHLGP-MNOVXSKESA-N 2 0 289.401 -0.528 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001219954475 824921604 /nfs/dbraw/zinc/92/16/04/824921604.db2.gz JSMBEAXCHGHXSF-CYBMUJFWSA-N 3 0 280.416 -0.214 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC[C@@H]1CCC(=O)N1 ZINC001219958991 824922678 /nfs/dbraw/zinc/92/26/78/824922678.db2.gz DEZZIWMEWWTYOT-UWVGGRQHSA-N 2 0 256.350 -0.772 20 0 CBADRP O=C(NC[C@@H]1CCC(=O)N1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219959145 824922872 /nfs/dbraw/zinc/92/28/72/824922872.db2.gz JYZAHDGHNBJTES-WDEREUQCSA-N 2 0 280.372 -0.745 20 0 CBADRP [NH3+][C@H](C(=O)NCCn1cccc1)C1CC[NH2+]CC1 ZINC001219969840 824926329 /nfs/dbraw/zinc/92/63/29/824926329.db2.gz OHNHFBNGNJVLFK-LBPRGKRZSA-N 2 0 250.346 -0.069 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CCCCO1 ZINC001219978162 824927885 /nfs/dbraw/zinc/92/78/85/824927885.db2.gz FMTGUKWHYHROAU-GHMZBOCLSA-N 2 0 252.318 -0.035 20 0 CBADRP O=C(NC[C@H]1CCCCO1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219978929 824928270 /nfs/dbraw/zinc/92/82/70/824928270.db2.gz VNLHZDFBKJQBPQ-MNOVXSKESA-N 2 0 253.346 -0.519 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@H]1CCCCO1)C1CC[NH2+]CC1 ZINC001219979114 824929597 /nfs/dbraw/zinc/92/95/97/824929597.db2.gz ZWBROQBYRYOJPA-NEPJUHHUSA-N 2 0 255.362 -0.001 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H]2C[NH2+]C[C@@H]2N)C1 ZINC001219980701 824930107 /nfs/dbraw/zinc/93/01/07/824930107.db2.gz NHGAJWMLTHXIJR-SRVKXCTJSA-N 2 0 254.378 -0.619 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001219978986 824930123 /nfs/dbraw/zinc/93/01/23/824930123.db2.gz XHLAGFXOHDLHRD-STQMWFEESA-N 3 0 280.416 -0.357 20 0 CBADRP COC(=O)C1(NC(=O)C=C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001220001189 824930504 /nfs/dbraw/zinc/93/05/04/824930504.db2.gz KTSAMUZUJSNBFC-UHFFFAOYSA-N 2 0 281.356 -0.292 20 0 CBADRP CN1C[C@H](NC(=O)C[C@@H]([NH3+])CCCC[NH3+])CCC1=O ZINC001220007180 824933038 /nfs/dbraw/zinc/93/30/38/824933038.db2.gz JVEGXHUMCDQHIN-WDEREUQCSA-N 2 0 270.377 -0.430 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1cncnc1 ZINC001220007305 824933164 /nfs/dbraw/zinc/93/31/64/824933164.db2.gz LGAUZVVFLHHIFU-VIFPVBQESA-N 2 0 255.347 -0.888 20 0 CBADRP O=C(NCc1ccncn1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220005179 824933437 /nfs/dbraw/zinc/93/34/37/824933437.db2.gz SWXHXOYDWISQMS-LBPRGKRZSA-N 2 0 275.356 -0.033 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1cccnn1 ZINC001220018894 824936016 /nfs/dbraw/zinc/93/60/16/824936016.db2.gz YJXPXVHLHIPQLJ-NSHDSACASA-N 2 0 251.334 -0.190 20 0 CBADRP N=c1cc(C[NH3+])ncn1C(=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001220020518 824936387 /nfs/dbraw/zinc/93/63/87/824936387.db2.gz LLFNBBGTGFJEAH-CBAPKCEASA-N 2 0 253.281 -0.448 20 0 CBADRP N=c1cc(C[NH3+])ncn1C(=O)c1ccccc1C[NH3+] ZINC001220020710 824936960 /nfs/dbraw/zinc/93/69/60/824936960.db2.gz SAXSINUHLNNEKX-UHFFFAOYSA-N 2 0 257.297 -0.032 20 0 CBADRP N=c1cc(C[NH3+])ncn1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220020195 824937060 /nfs/dbraw/zinc/93/70/60/824937060.db2.gz AJRHGIGEQBXDNY-LLVKDONJSA-N 3 0 290.371 -0.664 20 0 CBADRP N=c1sc2c(n1C(=O)C[C@@H]1COCC[NH2+]1)CC[C@H]([NH3+])C2 ZINC001220025598 824937648 /nfs/dbraw/zinc/93/76/48/824937648.db2.gz SKCLDJZQIAIOAL-DTWKUNHWSA-N 2 0 296.396 -0.136 20 0 CBADRP N=c1sc2c(n1C(=O)[C@H]1[NH2+]CC[C@H]1O)CC[C@H]([NH3+])C2 ZINC001220025723 824937878 /nfs/dbraw/zinc/93/78/78/824937878.db2.gz VYXOLOHFTCAROP-IONOHQLYSA-N 2 0 282.369 -0.792 20 0 CBADRP N=c1sc2c(n1C(=O)[C@@]1(N)CCC[NH2+]C1)CC[C@H]([NH3+])C2 ZINC001220025434 824938182 /nfs/dbraw/zinc/93/81/82/824938182.db2.gz PQSKVWWESPXTTH-ISVAXAHUSA-N 2 0 295.412 -0.434 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCC(C)(C)C(N)=O ZINC001220034383 824939346 /nfs/dbraw/zinc/93/93/46/824939346.db2.gz XUKOVIUEPGGLJB-JTQLQIEISA-N 2 0 272.393 -0.327 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220043432 824942107 /nfs/dbraw/zinc/94/21/07/824942107.db2.gz RENNYSNOTRRQGH-NSHDSACASA-N 3 0 280.376 -0.384 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)C[C@@H]1COCC[NH2+]1 ZINC001220043570 824942167 /nfs/dbraw/zinc/94/21/67/824942167.db2.gz XEBWIXODADUWGI-SNVBAGLBSA-N 2 0 265.317 -0.852 20 0 CBADRP COC(=O)CCCCCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220047933 824943743 /nfs/dbraw/zinc/94/37/43/824943743.db2.gz DTQCMOZHECSLEH-NSHDSACASA-N 2 0 283.372 -0.355 20 0 CBADRP N=c1cc(C[NH3+])ccn1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220045318 824943988 /nfs/dbraw/zinc/94/39/88/824943988.db2.gz VQIZULURNYFZJW-GFCCVEGCSA-N 3 0 289.383 -0.059 20 0 CBADRP C[NH2+]CCNC(=O)[C@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001220051145 824944759 /nfs/dbraw/zinc/94/47/59/824944759.db2.gz LNMHHJRDBQAZLZ-ZDUSSCGKSA-N 2 0 280.372 -0.048 20 0 CBADRP C[NH2+]CCNC(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001220053198 824945169 /nfs/dbraw/zinc/94/51/69/824945169.db2.gz YTQKCFVLXGYQNX-DGCLKSJQSA-N 2 0 255.362 -0.129 20 0 CBADRP CCCCOC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220049978 824945333 /nfs/dbraw/zinc/94/53/33/824945333.db2.gz WLONLKGBRCOQFW-UWVGGRQHSA-N 2 0 291.417 -0.146 20 0 CBADRP CCOC(=O)C(C)(C)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220063878 824948103 /nfs/dbraw/zinc/94/81/03/824948103.db2.gz HVIVIISDEBCRJG-QMTHXVAHSA-N 2 0 283.372 -0.357 20 0 CBADRP Cc1nc(N)ccc1CNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220069518 824948422 /nfs/dbraw/zinc/94/84/22/824948422.db2.gz BUAXRLLOXMKDGW-JTQLQIEISA-N 2 0 251.334 -0.345 20 0 CBADRP C[NH2+]CCCCNC(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001220077633 824951108 /nfs/dbraw/zinc/95/11/08/824951108.db2.gz QOSJMIIREVVYLV-MCIGGMRASA-N 2 0 257.378 -0.019 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H](N)CC(F)F ZINC001220103384 824954444 /nfs/dbraw/zinc/95/44/44/824954444.db2.gz QFAYSIWRYXSOFD-LURJTMIESA-N 2 0 251.281 -0.570 20 0 CBADRP CCCOCCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220101541 824955177 /nfs/dbraw/zinc/95/51/77/824955177.db2.gz RYXALVILCRZSKV-DGCLKSJQSA-N 2 0 255.362 -0.272 20 0 CBADRP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001220103227 824955392 /nfs/dbraw/zinc/95/53/92/824955392.db2.gz KZKPATLCMYVNAY-MNOVXSKESA-N 3 0 299.419 -0.007 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)NC(=N)SCC[NH3+] ZINC001220106441 824957025 /nfs/dbraw/zinc/95/70/25/824957025.db2.gz NDVOZYSMNCYJNN-QMMMGPOBSA-N 2 0 270.362 -0.967 20 0 CBADRP NC(=[NH2+])N(C(=O)[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1F ZINC001220106400 824956884 /nfs/dbraw/zinc/95/68/84/824956884.db2.gz LZTGNEWDXRKWRD-GMSGAONNSA-N 2 0 266.276 -0.368 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@H](O)c1ccc(O)cc1 ZINC001220113531 824959343 /nfs/dbraw/zinc/95/93/43/824959343.db2.gz WRDOVTJDKPFAMU-RYUDHWBXSA-N 2 0 299.396 -0.439 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCOC(F)(F)F ZINC001220138718 824964733 /nfs/dbraw/zinc/96/47/33/824964733.db2.gz DQUMVVLEKRQNIH-VIFPVBQESA-N 2 0 298.309 -0.611 20 0 CBADRP CS(=O)(=O)[C@H]1C[C@H](NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001220141657 824966880 /nfs/dbraw/zinc/96/68/80/824966880.db2.gz QBINTPFPJXAGMO-DCAQKATOSA-N 2 0 291.417 -0.475 20 0 CBADRP O=C(NC1CC(CO)(CO)C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220151725 824968813 /nfs/dbraw/zinc/96/88/13/824968813.db2.gz FFEXHANJMKYKFT-LBPRGKRZSA-N 2 0 297.399 -0.890 20 0 CBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@H]2C[C@@H]([NH3+])C2)COC1(C)C ZINC001220151683 824969715 /nfs/dbraw/zinc/96/97/15/824969715.db2.gz CHIUAFNZBRCAFO-MMWGEVLESA-N 2 0 298.387 -0.849 20 0 CBADRP [NH3+][C@H](C(=O)NCc1cc[nH]c(=O)c1)C1CC[NH2+]CC1 ZINC001220148313 824969843 /nfs/dbraw/zinc/96/98/43/824969843.db2.gz VUHNBTWDVGLBKH-LBPRGKRZSA-N 2 0 264.329 -0.270 20 0 CBADRP [NH3+]CC1(NC(=O)[C@H]([NH3+])Cc2cccc(O)c2)COC1 ZINC001220154096 824970445 /nfs/dbraw/zinc/97/04/45/824970445.db2.gz KSJWKIWHIWKPIH-LLVKDONJSA-N 2 0 265.313 -0.894 20 0 CBADRP [NH3+]CC1(NC(=O)[C@H]2[NH2+]CCC[C@H]2C(F)(F)F)COC1 ZINC001220154366 824970983 /nfs/dbraw/zinc/97/09/83/824970983.db2.gz RAMKKKWCJZPFOH-SFYZADRCSA-N 2 0 281.278 -0.239 20 0 CBADRP [NH3+]CC1(NC(=O)[C@@H]2CO[C@]3(C2)CCC[NH2+]CC3)COC1 ZINC001220154160 824971509 /nfs/dbraw/zinc/97/15/09/824971509.db2.gz MPEHKTXJZDJAKT-SMDDNHRTSA-N 2 0 283.372 -0.621 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001220157065 824973687 /nfs/dbraw/zinc/97/36/87/824973687.db2.gz WDBYCDDSQLRLDB-GVXVVHGQSA-N 2 0 252.362 -0.852 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220163706 824974172 /nfs/dbraw/zinc/97/41/72/824974172.db2.gz UEFLTJVCXOZKAD-UKRRQHHQSA-N 2 0 280.416 -0.070 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220159449 824974291 /nfs/dbraw/zinc/97/42/91/824974291.db2.gz ORCNFXKZBROSTJ-DYEKYZERSA-N 2 0 283.372 -0.085 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220163640 824974398 /nfs/dbraw/zinc/97/43/98/824974398.db2.gz SKJCOAOHZFSJSD-MNXVOIDGSA-N 2 0 266.389 -0.428 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220159452 824974536 /nfs/dbraw/zinc/97/45/36/824974536.db2.gz ORCNFXKZBROSTJ-SGMGOOAPSA-N 2 0 283.372 -0.085 20 0 CBADRP N=C(NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1ccc(F)cn1 ZINC001220170949 824975780 /nfs/dbraw/zinc/97/57/80/824975780.db2.gz ZLQGZBWBAYJZQS-VIFPVBQESA-N 2 0 277.303 -0.529 20 0 CBADRP O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1[NH2+]CC[C@H]1O ZINC001220167620 824975870 /nfs/dbraw/zinc/97/58/70/824975870.db2.gz QWJZMHKINDDPNP-NRWUCQMLSA-N 2 0 267.373 -0.252 20 0 CBADRP CCC1(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])COC1 ZINC001220170386 824975990 /nfs/dbraw/zinc/97/59/90/824975990.db2.gz JHSXTZQLIMZHEJ-VIFPVBQESA-N 2 0 261.391 -0.452 20 0 CBADRP O=C(N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220163879 824976623 /nfs/dbraw/zinc/97/66/23/824976623.db2.gz WFEABPSNKKYZGA-ZJQBRPOHSA-N 2 0 267.373 -0.252 20 0 CBADRP Cc1ncc(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])cn1 ZINC001220176037 824978091 /nfs/dbraw/zinc/97/80/91/824978091.db2.gz CRKWAOGSFBHFTA-JTQLQIEISA-N 2 0 269.374 -0.580 20 0 CBADRP N=C(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])c1ncc[nH]1 ZINC001220181119 824979237 /nfs/dbraw/zinc/97/92/37/824979237.db2.gz AYQTXCJXXGAQID-QMMMGPOBSA-N 2 0 252.322 -0.302 20 0 CBADRP C[C@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1cncnc1 ZINC001220183690 824980417 /nfs/dbraw/zinc/98/04/17/824980417.db2.gz XARMDOIKBXOQTI-ONGXEEELSA-N 2 0 261.329 -0.537 20 0 CBADRP COc1ccnc(C(=N)NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)n1 ZINC001220183121 824980974 /nfs/dbraw/zinc/98/09/74/824980974.db2.gz FRBAIRBDIGDXTK-SNVBAGLBSA-N 2 0 292.343 -0.746 20 0 CBADRP C[C@@H](NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)c1cncnc1 ZINC001220183099 824981061 /nfs/dbraw/zinc/98/10/61/824981061.db2.gz DUYIRIDZKLSULY-SKDRFNHKSA-N 2 0 263.345 -0.019 20 0 CBADRP CC1(C)C[C@H](CNC(=O)[C@H]([NH3+])Cc2cnc[nH]2)O1 ZINC001220197870 824985161 /nfs/dbraw/zinc/98/51/61/824985161.db2.gz VDHRAQCNSHLIJW-NXEZZACHSA-N 2 0 252.318 -0.037 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@]2(N)CC[NH2+]C2)CC1 ZINC001220200447 824985906 /nfs/dbraw/zinc/98/59/06/824985906.db2.gz KUTIKXUYTGOVAS-AWEZNQCLSA-N 2 0 284.404 -0.706 20 0 CBADRP CC1(C)C[C@@H](CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)O1 ZINC001220200886 824985929 /nfs/dbraw/zinc/98/59/29/824985929.db2.gz YHVRGPCIENLITE-QWRGUYRKSA-N 2 0 255.362 -0.003 20 0 CBADRP CC1(C)C[C@H](CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)O1 ZINC001220200884 824986711 /nfs/dbraw/zinc/98/67/11/824986711.db2.gz YHVRGPCIENLITE-GHMZBOCLSA-N 2 0 255.362 -0.003 20 0 CBADRP CC(C)(C)[C@H](CO)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220217133 824987600 /nfs/dbraw/zinc/98/76/00/824987600.db2.gz MLOOCWDRFSPOGW-UWVGGRQHSA-N 2 0 255.362 -0.681 20 0 CBADRP O=C(NC1(c2cccnn2)CC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220209703 824988507 /nfs/dbraw/zinc/98/85/07/824988507.db2.gz AWRAJUNXJHNPME-SNVBAGLBSA-N 2 0 273.340 -0.609 20 0 CBADRP COC1CCC(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001220220769 824989920 /nfs/dbraw/zinc/98/99/20/824989920.db2.gz DWXFEYCEAFNSAZ-MCIGGMRASA-N 2 0 267.373 -0.131 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220221220 824989942 /nfs/dbraw/zinc/98/99/42/824989942.db2.gz VNPHBQGYWHIXCE-AGIUHOORSA-N 3 0 280.416 -0.216 20 0 CBADRP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237367 824990552 /nfs/dbraw/zinc/99/05/52/824990552.db2.gz UTTTZWRGNLCLJX-XQQFMLRXSA-N 2 0 287.404 -0.476 20 0 CBADRP CN1C[C@@H](CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1=O ZINC001220244943 824992284 /nfs/dbraw/zinc/99/22/84/824992284.db2.gz AISIGJDPXWPGIJ-MNOVXSKESA-N 2 0 270.377 -0.573 20 0 CBADRP CN1C[C@@H](CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1=O ZINC001220245853 824994819 /nfs/dbraw/zinc/99/48/19/824994819.db2.gz WKWYVHKWKLYPJI-VXGBXAGGSA-N 2 0 294.399 -0.545 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001220254081 824995871 /nfs/dbraw/zinc/99/58/71/824995871.db2.gz JDMWXCKOWSLOEV-LLVKDONJSA-N 2 0 267.377 -0.017 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220254713 824996653 /nfs/dbraw/zinc/99/66/53/824996653.db2.gz VBPDPHKJUAZLQT-SMDDNHRTSA-N 2 0 268.405 -0.358 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220253811 824997001 /nfs/dbraw/zinc/99/70/01/824997001.db2.gz FFYZANBCPCNDBR-SDDRHHMPSA-N 2 0 268.405 -0.360 20 0 CBADRP N[C@@]1(C(=O)N(CC[NH3+])c2cccnc2)CCC[NH2+]C1 ZINC001220263320 824999416 /nfs/dbraw/zinc/99/94/16/824999416.db2.gz GGWCPWHGIUWBFS-ZDUSSCGKSA-N 2 0 263.345 -0.546 20 0 CBADRP [NH3+]CCN(C(=O)C[C@H]1COCC[NH2+]1)c1cccnc1 ZINC001220263811 824999497 /nfs/dbraw/zinc/99/94/97/824999497.db2.gz YZGFLQDYLAHDPS-NSHDSACASA-N 2 0 264.329 -0.248 20 0 CBADRP CC1(C)OCC(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CO1 ZINC001220271023 825001744 /nfs/dbraw/zinc/00/17/44/825001744.db2.gz QIKQJJOEMVHJFG-QMTHXVAHSA-N 2 0 283.372 -0.547 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001220271888 825002055 /nfs/dbraw/zinc/00/20/55/825002055.db2.gz LFAIWKYBIZCDFP-MNOVXSKESA-N 2 0 261.341 -0.541 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N[C@@H](CO)Cc1c[nH]cn1 ZINC001220291431 825007337 /nfs/dbraw/zinc/00/73/37/825007337.db2.gz UCRZBIBMEZMSEC-CMPLNLGQSA-N 2 0 283.376 -0.724 20 0 CBADRP C[N@@H+]1CCCN(CCNC(=O)[C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001220306813 825008992 /nfs/dbraw/zinc/00/89/92/825008992.db2.gz OXWHHHNOERDTFC-STQMWFEESA-N 2 0 286.395 -0.312 20 0 CBADRP C[N@@H+]1CCCN(CCNC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC001220306451 825009842 /nfs/dbraw/zinc/00/98/42/825009842.db2.gz KPJNNQHDMQHKQZ-ZDUSSCGKSA-N 2 0 284.404 -0.881 20 0 CBADRP C[N@@H+]1CCCN(CCNC(=O)C2CC[NH2+]CC2)CC1 ZINC001220303911 825010437 /nfs/dbraw/zinc/01/04/37/825010437.db2.gz ISZCJWNGOIYITB-UHFFFAOYSA-N 2 0 268.405 -0.260 20 0 CBADRP C[N@@H+]1CCCN(CCNC(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001220303724 825010876 /nfs/dbraw/zinc/01/08/76/825010876.db2.gz AUJSVKZQBGXWCN-ZDUSSCGKSA-N 3 0 285.436 -0.804 20 0 CBADRP C[N@@H+]1CCCN(CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001220304144 825010970 /nfs/dbraw/zinc/01/09/70/825010970.db2.gz QZNILOFVCJVJFN-ITGUQSILSA-N 2 0 266.389 -0.795 20 0 CBADRP C[C@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)c1cnn(C)c1 ZINC001220308627 825011989 /nfs/dbraw/zinc/01/19/89/825011989.db2.gz NDESZKWGCJKNDY-GXFFZTMASA-N 2 0 294.403 -0.652 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220312843 825012441 /nfs/dbraw/zinc/01/24/41/825012441.db2.gz HFDVUFWCRRVFDP-QMMMGPOBSA-N 2 0 287.314 -0.025 20 0 CBADRP N[C@]1(C(=O)N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)CCC[NH2+]C1 ZINC001220319370 825013542 /nfs/dbraw/zinc/01/35/42/825013542.db2.gz FQVHPOXPNJOOGN-MRVWCRGKSA-N 2 0 282.388 -0.905 20 0 CBADRP Cc1cc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])n(N)c(=O)c1 ZINC001220323897 825014995 /nfs/dbraw/zinc/01/49/95/825014995.db2.gz QFVCOLSXCFOFEZ-VIFPVBQESA-N 2 0 267.333 -0.735 20 0 CBADRP [NH3+][C@H](C(=O)N[C@@H]1CC12CCOCC2)C1CC[NH2+]CC1 ZINC001220329167 825015779 /nfs/dbraw/zinc/01/57/79/825015779.db2.gz IDLVUCKTCAIEIU-NEPJUHHUSA-N 2 0 267.373 -0.001 20 0 CBADRP O=C(N[C@H]1CC12CCOCC2)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220329402 825016637 /nfs/dbraw/zinc/01/66/37/825016637.db2.gz ONEIGRIMJGLPLK-QWRGUYRKSA-N 2 0 265.357 -0.519 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001220335802 825016678 /nfs/dbraw/zinc/01/66/78/825016678.db2.gz UNNRZPXVQTZTBS-XQQFMLRXSA-N 2 0 269.389 -0.054 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC12CCOCC2 ZINC001220334011 825016698 /nfs/dbraw/zinc/01/66/98/825016698.db2.gz YXSXYBYEPDMJTA-OLZOCXBDSA-N 2 0 296.415 -0.578 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220332237 825017346 /nfs/dbraw/zinc/01/73/46/825017346.db2.gz KCKBZGWVXBWZHI-XQQFMLRXSA-N 2 0 269.389 -0.197 20 0 CBADRP O=C(NCCC1COC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220341259 825018665 /nfs/dbraw/zinc/01/86/65/825018665.db2.gz VEFMYZHSZMLFMC-DGCLKSJQSA-N 2 0 253.346 -0.662 20 0 CBADRP COc1ccc(CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)nn1 ZINC001220343559 825019373 /nfs/dbraw/zinc/01/93/73/825019373.db2.gz SGKFQLTWGSSIBB-GFCCVEGCSA-N 2 0 279.344 -0.572 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@@H](C)C[NH3+])CC[NH+](C)CC1 ZINC001220344846 825019920 /nfs/dbraw/zinc/01/99/20/825019920.db2.gz CIQXPVXLASOYQK-JTQLQIEISA-N 2 0 271.361 -0.275 20 0 CBADRP O=C(NCC1(O)CCC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220384455 825026464 /nfs/dbraw/zinc/02/64/64/825026464.db2.gz UTLIATRYSVILEN-ZWNOBZJWSA-N 2 0 253.346 -0.783 20 0 CBADRP C[NH+](C)CCC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220386283 825026951 /nfs/dbraw/zinc/02/69/51/825026951.db2.gz NOSQRUZONGPBFG-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH+](C)CCC(C)(C)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220386460 825027163 /nfs/dbraw/zinc/02/71/63/825027163.db2.gz UZHURKAWABZYCX-CYBMUJFWSA-N 3 0 299.463 -0.417 20 0 CBADRP C[NH+](C)CCC(C)(C)NC(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001220386065 825027206 /nfs/dbraw/zinc/02/72/06/825027206.db2.gz IMUZRXMQSXHGNP-CYBMUJFWSA-N 2 0 256.394 -0.086 20 0 CBADRP C[NH+](C)CCC(C)(C)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220386448 825027425 /nfs/dbraw/zinc/02/74/25/825027425.db2.gz UJYUCMOPUWIDOO-SDDRHHMPSA-N 2 0 268.405 -0.217 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394906 825028899 /nfs/dbraw/zinc/02/88/99/825028899.db2.gz PWJKJXHLCDVZKJ-JEOXALJRSA-N 2 0 287.429 -0.316 20 0 CBADRP [NH3+][C@H](C(=O)NCC12CC[NH+](CC1)CC2)C1CC[NH2+]CC1 ZINC001220395111 825029165 /nfs/dbraw/zinc/02/91/65/825029165.db2.gz VYWHLQXWHWAAGI-ZDUSSCGKSA-N 3 0 280.416 -0.085 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001220429576 825035932 /nfs/dbraw/zinc/03/59/32/825035932.db2.gz VBUDYZKZBCCBSH-MCIONIFRSA-N 2 0 296.415 -0.835 20 0 CBADRP O=C(NCc1ccc2n[nH]nc2c1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220426591 825037252 /nfs/dbraw/zinc/03/72/52/825037252.db2.gz KFTIWLDHFZDMOH-JTQLQIEISA-N 2 0 286.339 -0.617 20 0 CBADRP CSc1nc(NC(=O)[C@@H]([NH3+])CCC[NH3+])cc(=O)n1C ZINC001220435206 825038495 /nfs/dbraw/zinc/03/84/95/825038495.db2.gz CRXKFWKPJWCFFJ-ZETCQYMHSA-N 2 0 285.373 -0.493 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)NC1CCN(CCF)CC1 ZINC001220436386 825038756 /nfs/dbraw/zinc/03/87/56/825038756.db2.gz VKXYPWQRQLZIEK-ZDUSSCGKSA-N 2 0 297.378 -0.160 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220431866 825039967 /nfs/dbraw/zinc/03/99/67/825039967.db2.gz RUYRPXNBBCUIAV-OLZOCXBDSA-N 3 0 286.420 -0.413 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCC(=O)CCO ZINC001220449221 825041184 /nfs/dbraw/zinc/04/11/84/825041184.db2.gz PLUIYAWPTPUOFP-LBPRGKRZSA-N 2 0 273.377 -0.450 20 0 CBADRP O=C(CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)Cc1ccccc1 ZINC001220462995 825043848 /nfs/dbraw/zinc/04/38/48/825043848.db2.gz WTPNGBJFHJYBJS-AWEZNQCLSA-N 2 0 287.363 -0.277 20 0 CBADRP CC(C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C(C)C ZINC001220462738 825044379 /nfs/dbraw/zinc/04/43/79/825044379.db2.gz MAXUKLWISRSRCD-STQMWFEESA-N 2 0 298.431 -0.021 20 0 CBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H](C)C[NH3+])O1 ZINC001220481935 825048159 /nfs/dbraw/zinc/04/81/59/825048159.db2.gz WLYBWGZHOYWULB-XNDJQWLSSA-N 2 0 259.350 -0.578 20 0 CBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2CCCC[NH2+]2)O1 ZINC001220481765 825049079 /nfs/dbraw/zinc/04/90/79/825049079.db2.gz QOBSUOQNXHAZEA-FMCLSXCISA-N 2 0 285.388 -0.031 20 0 CBADRP [NH3+]C1(CNC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)CCCC1 ZINC001220494547 825049635 /nfs/dbraw/zinc/04/96/35/825049635.db2.gz MVFVKHGWNXIONB-ZWNOBZJWSA-N 2 0 252.362 -0.674 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC001220496966 825049670 /nfs/dbraw/zinc/04/96/70/825049670.db2.gz IFAHOWNPYJUDOM-NSHDSACASA-N 2 0 284.404 -0.136 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC001220497112 825050040 /nfs/dbraw/zinc/05/00/40/825050040.db2.gz KJSDKRUWOHPBMR-VIFPVBQESA-N 3 0 260.407 -0.607 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCc1c(C)[nH][nH]c1=O ZINC001220493107 825050522 /nfs/dbraw/zinc/05/05/22/825050522.db2.gz WILBZNFHOWTVOZ-NSHDSACASA-N 2 0 283.376 -0.201 20 0 CBADRP N[C@]1(C(=O)NC[C@@H]([NH3+])c2ccccc2)CCC[NH2+]C1 ZINC001220499771 825051789 /nfs/dbraw/zinc/05/17/89/825051789.db2.gz CSZXETAUFVCJIQ-TZMCWYRMSA-N 2 0 262.357 -0.117 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220500790 825052379 /nfs/dbraw/zinc/05/23/79/825052379.db2.gz KPSYEEDKGAQNDJ-OLZOCXBDSA-N 2 0 290.367 -0.248 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001220502036 825052583 /nfs/dbraw/zinc/05/25/83/825052583.db2.gz XVNKVDHNORQSCQ-NEPJUHHUSA-N 3 0 250.346 -0.131 20 0 CBADRP CN(CC[NH3+])CCNC(=O)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001220517194 825053454 /nfs/dbraw/zinc/05/34/54/825053454.db2.gz AEDPZLZNABNRKX-UONOGXRCSA-N 2 0 297.447 -0.933 20 0 CBADRP CN(CC[NH3+])CCNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001220517282 825054397 /nfs/dbraw/zinc/05/43/97/825054397.db2.gz DZZRBTPARJLSSE-JTQLQIEISA-N 2 0 260.382 -0.865 20 0 CBADRP CC(C)C[C@@](C)([NH3+])C(=O)NCCOCCOCC[NH3+] ZINC001220519143 825054669 /nfs/dbraw/zinc/05/46/69/825054669.db2.gz CPJGUHIFZJKBAT-CYBMUJFWSA-N 2 0 275.393 -0.142 20 0 CBADRP COC(=O)C[C@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])c1cccnc1 ZINC001220527204 825056632 /nfs/dbraw/zinc/05/66/32/825056632.db2.gz GHYIMMPFAWFWCK-RYUDHWBXSA-N 2 0 294.355 -0.132 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C[C@@H]2COCC[NH2+]2)CC[NH2+]C1 ZINC001220523326 825057034 /nfs/dbraw/zinc/05/70/34/825057034.db2.gz MIUHUBMBWMBTCV-SNVBAGLBSA-N 2 0 297.355 -0.708 20 0 CBADRP COC(CCCNC(=O)[C@@H]([NH3+])CCCC[NH3+])OC ZINC001220741019 825095643 /nfs/dbraw/zinc/09/56/43/825095643.db2.gz BGSQZYQRWIEQNF-JTQLQIEISA-N 2 0 261.366 -0.042 20 0 CBADRP CC(=O)NC[C@@H](C)CNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220757291 825097919 /nfs/dbraw/zinc/09/79/19/825097919.db2.gz ZBKFEVWBGXZFDP-KOLCDFICSA-N 2 0 258.366 -0.669 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)C[C@@H]1CCC[NH2+]C1 ZINC001220583768 825070088 /nfs/dbraw/zinc/07/00/88/825070088.db2.gz XZQOCCJOQFESJE-NSHDSACASA-N 2 0 271.361 -0.274 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC001220582970 825070823 /nfs/dbraw/zinc/07/08/23/825070823.db2.gz ALCOAMUJDAYYBI-MNOVXSKESA-N 2 0 271.361 -0.275 20 0 CBADRP CC(=O)N1CC(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001220596802 825073972 /nfs/dbraw/zinc/07/39/72/825073972.db2.gz IMQRFQZREIVXRU-GFCCVEGCSA-N 2 0 280.372 -0.793 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1ncc(F)cn1 ZINC001220598832 825076560 /nfs/dbraw/zinc/07/65/60/825076560.db2.gz FATHQXQICUVAAP-SCZZXKLOSA-N 2 0 279.319 -0.398 20 0 CBADRP O=C(N[C@H]1NC(=O)c2ccccc21)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220620357 825077133 /nfs/dbraw/zinc/07/71/33/825077133.db2.gz SHASYRIAFPYWPL-VXGBXAGGSA-N 2 0 286.335 -0.646 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@H]1NC(=O)c2ccccc21 ZINC001220620532 825077548 /nfs/dbraw/zinc/07/75/48/825077548.db2.gz XTZAIQKGJOAILZ-WDEREUQCSA-N 2 0 294.380 -0.436 20 0 CBADRP CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220661113 825081775 /nfs/dbraw/zinc/08/17/75/825081775.db2.gz SORBDESMGIUSOF-VWYCJHECSA-N 2 0 271.361 -0.099 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC2CC2)C[C@@H]1O ZINC001220682869 825083889 /nfs/dbraw/zinc/08/38/89/825083889.db2.gz FFGIJOITXFCDAT-OLZOCXBDSA-N 2 0 269.389 -0.101 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCC1Oc2ccccc2O1 ZINC001220708975 825089721 /nfs/dbraw/zinc/08/97/21/825089721.db2.gz NVMKNXQZKQRYKL-VIFPVBQESA-N 2 0 297.380 -0.081 20 0 CBADRP [NH3+]Cc1ncccc1NC(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001220711032 825090544 /nfs/dbraw/zinc/09/05/44/825090544.db2.gz INPGEKVQXFRYEH-SECBINFHSA-N 2 0 260.301 -0.228 20 0 CBADRP [NH3+]Cc1ncccc1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC001220714414 825092012 /nfs/dbraw/zinc/09/20/12/825092012.db2.gz KRTJTCXFIAPJHG-SECBINFHSA-N 2 0 250.302 -0.143 20 0 CBADRP NC(=O)c1ccccc1OCCNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220718687 825093855 /nfs/dbraw/zinc/09/38/55/825093855.db2.gz GGIXMBFNHNGNLB-LLVKDONJSA-N 2 0 294.355 -0.653 20 0 CBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)C[C@@H](O)C[NH3+])C2 ZINC001220716619 825093941 /nfs/dbraw/zinc/09/39/41/825093941.db2.gz MHLFKELRNYRLRC-WISYIIOYSA-N 2 0 255.362 -0.172 20 0 CBADRP CCOCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755821 825095757 /nfs/dbraw/zinc/09/57/57/825095757.db2.gz XJADOBWUHPGUSF-MCIONIFRSA-N 2 0 299.415 -0.474 20 0 CBADRP CC(=O)NC[C@@H](C)CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220756299 825096369 /nfs/dbraw/zinc/09/63/69/825096369.db2.gz AKKSTTPYQAQCQU-SKDRFNHKSA-N 2 0 270.377 -0.798 20 0 CBADRP CC(=O)NC[C@@H](C)CNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220757043 825097402 /nfs/dbraw/zinc/09/74/02/825097402.db2.gz RAOVPKYDWQYDDJ-PWSUYJOCSA-N 2 0 272.393 -0.279 20 0 CBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001220768613 825098483 /nfs/dbraw/zinc/09/84/83/825098483.db2.gz VJEYJZZKWAFLRG-OLZOCXBDSA-N 2 0 285.388 -0.864 20 0 CBADRP CC1(C)[C@@H](O)C[C@@H]1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220766064 825098960 /nfs/dbraw/zinc/09/89/60/825098960.db2.gz LBMDTEDGFRZKPJ-CIUDSAMLSA-N 2 0 261.391 -0.719 20 0 CBADRP CC1(C)[C@H](O)C[C@H]1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220766971 825100121 /nfs/dbraw/zinc/10/01/21/825100121.db2.gz ZAMAKPCTPJDPCW-MXWKQRLJSA-N 2 0 255.362 -0.411 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)(C1)CCC2 ZINC001220776981 825100614 /nfs/dbraw/zinc/10/06/14/825100614.db2.gz BCDRYVNZWVMGKB-TUKIKUTGSA-N 3 0 278.400 -0.284 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@H]3C[NH2+]CCN3)(C1)CCC2 ZINC001220778634 825100673 /nfs/dbraw/zinc/10/06/73/825100673.db2.gz ANSQBEBTECCCPB-KGYLQXTDSA-N 2 0 252.362 -0.532 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@@H]3C[NH2+]CCO3)(C1)CCC2 ZINC001220775218 825100800 /nfs/dbraw/zinc/10/08/00/825100800.db2.gz NHQIJCUVKWLGLJ-WCFLWFBJSA-N 2 0 253.346 -0.105 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C1 ZINC001220779520 825100843 /nfs/dbraw/zinc/10/08/43/825100843.db2.gz USMJXAZETSCQBI-DJIHRAIXSA-N 2 0 252.362 -0.404 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220775307 825101146 /nfs/dbraw/zinc/10/11/46/825101146.db2.gz RJKRHDMRMRZAIW-UHTWSYAYSA-N 3 0 254.378 -0.027 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@@H]3NC(=O)CC34C[NH2+]C4)(C1)CCC2 ZINC001220777249 825101469 /nfs/dbraw/zinc/10/14/69/825101469.db2.gz JZPDSEFWQNBWNI-TUKIKUTGSA-N 2 0 292.383 -0.615 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220789074 825102449 /nfs/dbraw/zinc/10/24/49/825102449.db2.gz JAFHXVZGWHOQCK-XUXIUFHCSA-N 2 0 289.383 -0.605 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220799406 825103447 /nfs/dbraw/zinc/10/34/47/825103447.db2.gz ANJACHUMMMSUHO-BWZBUEFSSA-N 2 0 269.267 -0.647 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)C1 ZINC001220806042 825104079 /nfs/dbraw/zinc/10/40/79/825104079.db2.gz XEXRLXJMJRDRRX-HXFLIBJXSA-N 2 0 280.294 -0.668 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)C1 ZINC001220806047 825104243 /nfs/dbraw/zinc/10/42/43/825104243.db2.gz XEXRLXJMJRDRRX-XAVMHZPKSA-N 2 0 280.294 -0.668 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220806157 825104518 /nfs/dbraw/zinc/10/45/18/825104518.db2.gz YLHCGXVOFNGBDM-KZVJFYERSA-N 2 0 281.278 -0.634 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@H]1C[NH2+]C[C@H]1O ZINC001220803181 825104707 /nfs/dbraw/zinc/10/47/07/825104707.db2.gz CLVLAJLUFKRDRH-RBXMUDONSA-N 2 0 281.278 -0.777 20 0 CBADRP O=C(NCCN1CCC(F)(F)C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220808285 825105305 /nfs/dbraw/zinc/10/53/05/825105305.db2.gz NCRMESKJRRDBLL-SNVBAGLBSA-N 2 0 288.342 -0.747 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC)C[C@@H]1O ZINC001220822435 825106380 /nfs/dbraw/zinc/10/63/80/825106380.db2.gz YNSFBCWQFGNNDT-NEPJUHHUSA-N 2 0 273.377 -0.864 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C[NH2+]C1 ZINC001220827090 825107072 /nfs/dbraw/zinc/10/70/72/825107072.db2.gz GYBBBLPEIGZOKN-KOLCDFICSA-N 2 0 281.356 -0.089 20 0 CBADRP CCC[C@H]([NH3+])C(=O)NC1=C(C(=O)OCC)C[NH2+]C1 ZINC001220827235 825107155 /nfs/dbraw/zinc/10/71/55/825107155.db2.gz KQWFBKPPLSPZQS-VIFPVBQESA-N 2 0 255.318 -0.350 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CCCC[NH2+]C2)C[NH2+]C1 ZINC001220827088 825107253 /nfs/dbraw/zinc/10/72/53/825107253.db2.gz GXCMOTQKVGPXJE-SNVBAGLBSA-N 2 0 281.356 -0.087 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C=C2CC[NH2+]CC2)C[NH2+]C1 ZINC001220829968 825108332 /nfs/dbraw/zinc/10/83/32/825108332.db2.gz HSIUMDMMNFNEIB-UHFFFAOYSA-N 2 0 279.340 -0.167 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H](C[NH3+])C(C)C)C[NH2+]C1 ZINC001220829102 825108361 /nfs/dbraw/zinc/10/83/61/825108361.db2.gz XQHCKKVRYYFIQM-VIFPVBQESA-N 2 0 269.345 -0.246 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H](CCCC[NH3+])[NH2+]C)C[NH2+]C1 ZINC001220827722 825108524 /nfs/dbraw/zinc/10/85/24/825108524.db2.gz ZFHFFOUESJLHHA-NSHDSACASA-N 3 0 298.387 -0.760 20 0 CBADRP CCOC(=O)C1=C(NC(=O)CCCCNC(N)=[NH2+])C[NH2+]C1 ZINC001220830114 825109252 /nfs/dbraw/zinc/10/92/52/825109252.db2.gz NYTIQROBDDBLLK-UHFFFAOYSA-N 2 0 297.359 -0.824 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[C@H](OC)CC[NH2+]2)C[NH2+]C1 ZINC001220830458 825109380 /nfs/dbraw/zinc/10/93/80/825109380.db2.gz XRAHQYOQJDTKEB-MWLCHTKSSA-N 2 0 297.355 -0.710 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C2CC(C[NH3+])C2)C[NH2+]C1 ZINC001220829989 825109850 /nfs/dbraw/zinc/10/98/50/825109850.db2.gz IRXKFGZUAPWJDC-UHFFFAOYSA-N 2 0 267.329 -0.492 20 0 CBADRP COC(=O)c1cncc(CNC(=O)[C@@H]([NH3+])CCC[NH3+])c1 ZINC001220843285 825111214 /nfs/dbraw/zinc/11/12/14/825111214.db2.gz QOHISMLEYHBGCX-NSHDSACASA-N 2 0 280.328 -0.449 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)C[NH2+]C1 ZINC001220851418 825111801 /nfs/dbraw/zinc/11/18/01/825111801.db2.gz VRXMAAIZVSKUQM-IUCAKERBSA-N 2 0 269.345 -0.619 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@@]2(C)CC(C)(C)C[NH2+]2)C[NH2+]C1 ZINC001220851493 825111896 /nfs/dbraw/zinc/11/18/96/825111896.db2.gz XZWNWEYOTFKRLD-CYBMUJFWSA-N 2 0 283.372 -0.214 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])CC2CCCC2)C[NH2+]C1 ZINC001220851485 825112444 /nfs/dbraw/zinc/11/24/44/825112444.db2.gz XRHUSVGYCUAIGN-NSHDSACASA-N 2 0 283.372 -0.085 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@](C)([NH3+])CC(C)C)C[NH2+]C1 ZINC001220851176 825112784 /nfs/dbraw/zinc/11/27/84/825112784.db2.gz LACHLTPSUBOIIS-GFCCVEGCSA-N 2 0 271.361 -0.229 20 0 CBADRP [NH3+]Cc1ccccc1CNC(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220855100 825113583 /nfs/dbraw/zinc/11/35/83/825113583.db2.gz LXVOXAPXAOWTOR-HIFRSBDPSA-N 2 0 274.368 -0.287 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220859636 825114178 /nfs/dbraw/zinc/11/41/78/825114178.db2.gz HPVLCCZCGWVMAX-NHCYSSNCSA-N 2 0 286.420 -0.034 20 0 CBADRP CC[C@H](COC)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220865878 825115282 /nfs/dbraw/zinc/11/52/82/825115282.db2.gz NFHDJBUWJAHOEK-NEPJUHHUSA-N 2 0 272.393 -0.722 20 0 CBADRP COC[C@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])[C@@H](O)c1ccccc1 ZINC001220865803 825115912 /nfs/dbraw/zinc/11/59/12/825115912.db2.gz LFZSHTPGNLXWDR-IHRRRGAJSA-N 2 0 295.383 -0.083 20 0 CBADRP COc1cncc(CNC(=O)[C@@H]([NH3+])CCC[NH3+])c1 ZINC001220871241 825117226 /nfs/dbraw/zinc/11/72/26/825117226.db2.gz WTBJVTMXTPMCQH-NSHDSACASA-N 2 0 252.318 -0.227 20 0 CBADRP COc1cncc(CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c1 ZINC001220871022 825117755 /nfs/dbraw/zinc/11/77/55/825117755.db2.gz ROYVYRCQAHBTMC-IUODEOHRSA-N 2 0 290.367 -0.095 20 0 CBADRP COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220881575 825118993 /nfs/dbraw/zinc/11/89/93/825118993.db2.gz NBJRMSCMKSBTJO-ICUOPCATSA-N 2 0 281.356 -0.889 20 0 CBADRP COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220881187 825119028 /nfs/dbraw/zinc/11/90/28/825119028.db2.gz FIHGKLBXVFZWKF-AXFHLTTASA-N 2 0 269.345 -0.761 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220890480 825121033 /nfs/dbraw/zinc/12/10/33/825121033.db2.gz XIRFYPTWPKSTPJ-NEPJUHHUSA-N 2 0 270.377 -0.512 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220887296 825121369 /nfs/dbraw/zinc/12/13/69/825121369.db2.gz ZKYURZHEVPXJIG-AXFHLTTASA-N 2 0 268.361 -0.807 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001220890167 825121437 /nfs/dbraw/zinc/12/14/37/825121437.db2.gz UOMBEMSARBDBFP-ZIAGYGMSSA-N 2 0 280.416 -0.072 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)c1cnc2n1CC[NH2+]CC2 ZINC001220896148 825122438 /nfs/dbraw/zinc/12/24/38/825122438.db2.gz COZRZBHZYAWXPY-JTQLQIEISA-N 2 0 263.345 -0.489 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930610 825124298 /nfs/dbraw/zinc/12/42/98/825124298.db2.gz SDUAMIKQEUKNFV-NHCYSSNCSA-N 2 0 270.377 -0.840 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)N(C2COC2)[C@@H]2CC[C@@H]([NH3+])CC2)C1 ZINC001220929863 825124523 /nfs/dbraw/zinc/12/45/23/825124523.db2.gz HZELUBPSDFQRHQ-UZWSLXQKSA-N 2 0 282.388 -0.827 20 0 CBADRP [NH3+][C@@H](C(=O)NC1(c2ncccn2)CC1)C1CC[NH2+]CC1 ZINC001220934032 825125182 /nfs/dbraw/zinc/12/51/82/825125182.db2.gz GWGQDFKLAJHDGR-LLVKDONJSA-N 2 0 275.356 -0.091 20 0 CBADRP [NH3+][C@@H](CC1CCC1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220936672 825126274 /nfs/dbraw/zinc/12/62/74/825126274.db2.gz IACXVHZUXLSOHY-RYUDHWBXSA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937332 825126802 /nfs/dbraw/zinc/12/68/02/825126802.db2.gz PHNSQLIKKZJPSS-STQMWFEESA-N 3 0 286.420 -0.460 20 0 CBADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220994626 825133534 /nfs/dbraw/zinc/13/35/34/825133534.db2.gz ZQDGWUJQTHBWCV-KGLIPLIRSA-N 2 0 299.415 -0.594 20 0 CBADRP Cc1nnc(CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)o1 ZINC001221010435 825135129 /nfs/dbraw/zinc/13/51/29/825135129.db2.gz HHKSRNPKPCNSNC-JTQLQIEISA-N 2 0 253.306 -0.679 20 0 CBADRP O=C(NCc1ncn2ccccc12)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221008706 825135630 /nfs/dbraw/zinc/13/56/30/825135630.db2.gz YHTFOVSBSJIGNB-NSHDSACASA-N 2 0 285.351 -0.241 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCO1 ZINC001221007826 825135990 /nfs/dbraw/zinc/13/59/90/825135990.db2.gz DXOGHALTJFNUIB-OUAUKWLOSA-N 2 0 253.346 -0.521 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCO1 ZINC001221010683 825136168 /nfs/dbraw/zinc/13/61/68/825136168.db2.gz ODYXBXAIUZCTBU-JLLWLGSASA-N 2 0 255.362 -0.003 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC12CCC2 ZINC001221015473 825136806 /nfs/dbraw/zinc/13/68/06/825136806.db2.gz IZWDPINCOJIDSS-RYUDHWBXSA-N 2 0 266.389 -0.204 20 0 CBADRP O=C(NCCc1nncs1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221013739 825137023 /nfs/dbraw/zinc/13/70/23/825137023.db2.gz VQXUTZFSLICOGJ-BXKDBHETSA-N 2 0 281.385 -0.604 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N(CC[NH3+])c1ccc(F)cc1 ZINC001221060465 825139735 /nfs/dbraw/zinc/13/97/35/825139735.db2.gz AYRPGTONMWFRRL-RYUDHWBXSA-N 2 0 266.320 -0.336 20 0 CBADRP [NH3+]CCN(C(=O)[C@H]1C[NH2+]C[C@H]1O)c1ccc(F)cc1 ZINC001221061084 825140521 /nfs/dbraw/zinc/14/05/21/825140521.db2.gz ZRYIWZMGMQUDSP-NWDGAFQWSA-N 2 0 267.304 -0.302 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC1(c2cnccn2)CC1 ZINC001221082584 825141411 /nfs/dbraw/zinc/14/14/11/825141411.db2.gz ZPOAZBWOLNGHOA-VIFPVBQESA-N 2 0 281.385 -0.399 20 0 CBADRP CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221083021 825141458 /nfs/dbraw/zinc/14/14/58/825141458.db2.gz BJUDGWVJQJPZRK-NEPJUHHUSA-N 2 0 257.378 -0.102 20 0 CBADRP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091385 825143219 /nfs/dbraw/zinc/14/32/19/825143219.db2.gz MNHNLLYXFCWOJS-XQQFMLRXSA-N 2 0 287.404 -0.477 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC2CC2)C[C@@H]1O ZINC001221093114 825143376 /nfs/dbraw/zinc/14/33/76/825143376.db2.gz CGQHPEOMFFLAMR-OLZOCXBDSA-N 2 0 269.389 -0.102 20 0 CBADRP Cc1nccnc1CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221103907 825143823 /nfs/dbraw/zinc/14/38/23/825143823.db2.gz SMJWNKFDMCDHEH-JTQLQIEISA-N 2 0 261.329 -0.790 20 0 CBADRP O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@H]1[NH2+]CC[C@@H]1O ZINC001221123693 825145480 /nfs/dbraw/zinc/14/54/80/825145480.db2.gz GKWKSHBRXATXMR-STQMWFEESA-N 2 0 290.367 -0.501 20 0 CBADRP COCC1(CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCOCC1 ZINC001221176620 825150588 /nfs/dbraw/zinc/15/05/88/825150588.db2.gz GTQMUKBRRVSWCA-ZDUSSCGKSA-N 2 0 299.415 -0.127 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC001221188579 825151172 /nfs/dbraw/zinc/15/11/72/825151172.db2.gz XXEPUGCNHMVSOW-GARJFASQSA-N 2 0 271.361 -0.229 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)CCCCNC(N)=[NH2+] ZINC001221190387 825151635 /nfs/dbraw/zinc/15/16/35/825151635.db2.gz LTOGYQMXQLXTOS-VIFPVBQESA-N 2 0 287.364 -0.964 20 0 CBADRP CCCC[C@H](NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C(N)=O ZINC001221234895 825157027 /nfs/dbraw/zinc/15/70/27/825157027.db2.gz NAGGUZPYPZVXEA-QWRGUYRKSA-N 2 0 272.393 -0.007 20 0 CBADRP C[N@@H+]1CCC[C@](C)(NC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001221241084 825157768 /nfs/dbraw/zinc/15/77/68/825157768.db2.gz NIOATFLQSLAXKD-UBHSHLNASA-N 2 0 266.389 -0.462 20 0 CBADRP C[C@@]1([NH3+])C[C@H](NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001221239571 825158348 /nfs/dbraw/zinc/15/83/48/825158348.db2.gz PBBVTOSZBKHNBG-WZRBSPASSA-N 3 0 266.389 -0.143 20 0 CBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@H]2C[C@@](C)([NH3+])C2)COC1(C)C ZINC001221241672 825158468 /nfs/dbraw/zinc/15/84/68/825158468.db2.gz WVIQZWFTOGHIHA-RUMNANIHSA-N 2 0 298.387 -0.707 20 0 CBADRP C[N@@H+]1CCC[C@](C)(NC(=O)CNC2CC[NH2+]CC2)C1 ZINC001221241486 825158656 /nfs/dbraw/zinc/15/86/56/825158656.db2.gz WIASMIFXOJSNQY-AWEZNQCLSA-N 2 0 268.405 -0.072 20 0 CBADRP O=C(N[C@@H]1CCOC[C@@H]1F)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221242886 825158733 /nfs/dbraw/zinc/15/87/33/825158733.db2.gz ADVKOMQTKLPNEK-LPEHRKFASA-N 2 0 257.309 -0.961 20 0 CBADRP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001221241089 825159181 /nfs/dbraw/zinc/15/91/81/825159181.db2.gz NJWJLPNQMVSITE-DGCLKSJQSA-N 2 0 265.361 -0.120 20 0 CBADRP C[N@@H+]1CCC[C@](C)(NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC001221243529 825160257 /nfs/dbraw/zinc/16/02/57/825160257.db2.gz KAGADXUKTAGTPE-YPMHNXCESA-N 2 0 255.362 -0.035 20 0 CBADRP CC[C@H](C)[C@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C(=O)N(C)C ZINC001221278390 825166589 /nfs/dbraw/zinc/16/65/89/825166589.db2.gz QUOZIBXFAVENCR-TUAOUCFPSA-N 2 0 296.415 -0.586 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCC(=O)NCC(F)(F)F ZINC001221278458 825167331 /nfs/dbraw/zinc/16/73/31/825167331.db2.gz UCZWCVCDJRYGAA-QMMMGPOBSA-N 2 0 298.309 -0.373 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCC(=O)NCC(F)(F)F ZINC001221278411 825167509 /nfs/dbraw/zinc/16/75/09/825167509.db2.gz RITCVYULAQCHOU-QMMMGPOBSA-N 2 0 298.309 -0.502 20 0 CBADRP Cn1ncc2c1cccc2CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221306692 825168452 /nfs/dbraw/zinc/16/84/52/825168452.db2.gz WYHZAEXGADJRDX-ZDUSSCGKSA-N 2 0 299.378 -0.002 20 0 CBADRP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001221333926 825172134 /nfs/dbraw/zinc/17/21/34/825172134.db2.gz VQIQJNZLXCFHBJ-BFHYXJOUSA-N 2 0 275.352 -0.379 20 0 CBADRP O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221339679 825174763 /nfs/dbraw/zinc/17/47/63/825174763.db2.gz MKMAHTMZFCZOLJ-KXNHARMFSA-N 2 0 265.357 -0.378 20 0 CBADRP CC(C)[NH+]1CCN(CC(=O)NCCCC[NH3+])CC1 ZINC001221345258 825175129 /nfs/dbraw/zinc/17/51/29/825175129.db2.gz RXXVVZXAMMVRRL-UHFFFAOYSA-N 2 0 256.394 -0.133 20 0 CBADRP C[N@@H+]1C[C@@H](C(=O)NCCCC[NH3+])OC2(CC[NH2+]CC2)C1 ZINC001221344830 825175355 /nfs/dbraw/zinc/17/53/55/825175355.db2.gz FSSXTBICBBZNFR-LBPRGKRZSA-N 3 0 284.404 -0.706 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001221367670 825176421 /nfs/dbraw/zinc/17/64/21/825176421.db2.gz SMQIDHPMHSWSCM-REWJHTLYSA-N 2 0 298.406 -0.124 20 0 CBADRP NC1=CC=C(C2CCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC2)[NH2+]C1 ZINC001221390921 825180142 /nfs/dbraw/zinc/18/01/42/825180142.db2.gz JBQNFWKECFFGFC-JSGCOSHPSA-N 2 0 292.383 -0.723 20 0 CBADRP [NH3+][C@H](C(=O)NCCOc1ccncc1)C1CC[NH2+]CC1 ZINC001221393432 825181438 /nfs/dbraw/zinc/18/14/38/825181438.db2.gz DHMCLIGXAHCJNA-ZDUSSCGKSA-N 2 0 278.356 -0.097 20 0 CBADRP CC(C)N(C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2)C(C)(C)C[NH3+] ZINC001221394068 825181628 /nfs/dbraw/zinc/18/16/28/825181628.db2.gz IELWITISQSQPBB-SMDDNHRTSA-N 2 0 268.405 -0.088 20 0 CBADRP CC(C)N(C(=O)[C@H]([NH3+])CCCNC(N)=O)C(C)(C)C[NH3+] ZINC001221395069 825181800 /nfs/dbraw/zinc/18/18/00/825181800.db2.gz ZOKZTLFWWYTJBN-SNVBAGLBSA-N 2 0 287.408 -0.264 20 0 CBADRP CC(C)N(C(=O)[C@@]12C[NH2+]C[C@H]1CCN2)C(C)(C)C[NH3+] ZINC001221394065 825181845 /nfs/dbraw/zinc/18/18/45/825181845.db2.gz IELWITISQSQPBB-BXUZGUMPSA-N 2 0 268.405 -0.088 20 0 CBADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c1 ZINC001221403612 825182853 /nfs/dbraw/zinc/18/28/53/825182853.db2.gz CTZLWIAHUXTILZ-DRZSPHRISA-N 2 0 279.340 -0.466 20 0 CBADRP C[C@]1(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCCOC1 ZINC001221403793 825183818 /nfs/dbraw/zinc/18/38/18/825183818.db2.gz XNZURPFAHZFXKY-PWSUYJOCSA-N 2 0 253.346 -0.519 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)[C@@H](C)C1 ZINC001221405898 825183866 /nfs/dbraw/zinc/18/38/66/825183866.db2.gz CKYDREAEFBBDMV-RNJOBUHISA-N 2 0 268.405 -0.089 20 0 CBADRP COc1cccc([C@@H](C[NH3+])NC(=O)C[C@@H](O)C[NH3+])c1 ZINC001221404338 825183899 /nfs/dbraw/zinc/18/38/99/825183899.db2.gz HLRILMRMQBRLNF-ZYHUDNBSSA-N 2 0 267.329 -0.479 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2O)[C@H](C)C1 ZINC001221407040 825184226 /nfs/dbraw/zinc/18/42/26/825184226.db2.gz KHAMJDQXTBAMMF-FVCCEPFGSA-N 2 0 269.389 -0.198 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CCN2)[C@H](C)C1 ZINC001221406252 825184444 /nfs/dbraw/zinc/18/44/44/825184444.db2.gz DXNUNHIQGIFHGE-UPJWGTAASA-N 2 0 268.405 -0.217 20 0 CBADRP C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)CC1 ZINC001221403823 825184512 /nfs/dbraw/zinc/18/45/12/825184512.db2.gz ZEAKBZAHKZXXPY-QWRGUYRKSA-N 2 0 273.352 -0.351 20 0 CBADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001221410196 825185077 /nfs/dbraw/zinc/18/50/77/825185077.db2.gz QFZDSWXFGNVBTK-GUTXKFCHSA-N 2 0 278.400 -0.558 20 0 CBADRP Cc1nnc(CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)[nH]1 ZINC001221409909 825185154 /nfs/dbraw/zinc/18/51/54/825185154.db2.gz VOAIHWFTWXUAMM-JTQLQIEISA-N 2 0 252.322 -0.944 20 0 CBADRP N[C@@]1(C(=O)N[C@H](C2CCC2)C2C[NH2+]C2)CCC[NH2+]C1 ZINC001221410315 825185244 /nfs/dbraw/zinc/18/52/44/825185244.db2.gz QOQZCSVJNCIOLM-OCCSQVGLSA-N 2 0 266.389 -0.428 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221408143 825185417 /nfs/dbraw/zinc/18/54/17/825185417.db2.gz HLNNITNEPDDHJJ-JSGCOSHPSA-N 2 0 294.399 -0.560 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@@H](O)C[NH3+])[C@H](C)C1 ZINC001221409970 825185533 /nfs/dbraw/zinc/18/55/33/825185533.db2.gz WCZYOOXANZLJFY-UTUOFQBUSA-N 2 0 257.378 -0.069 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221409061 825185801 /nfs/dbraw/zinc/18/58/01/825185801.db2.gz MBWDKWAGOMYOHB-ZKTNFTSUSA-N 2 0 287.429 -0.413 20 0 CBADRP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001221408073 825185857 /nfs/dbraw/zinc/18/58/57/825185857.db2.gz GUBRSKDRGPIUGH-DEQVHRJGSA-N 2 0 278.400 -0.559 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CC[C@@H]2O)[C@H](C)C1 ZINC001221408460 825185986 /nfs/dbraw/zinc/18/59/86/825185986.db2.gz JMJWVYIMDYSTJI-VOAKCMCISA-N 2 0 269.389 -0.056 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)CNCC[NH3+])[C@H](C)C1 ZINC001221410611 825186073 /nfs/dbraw/zinc/18/60/73/825186073.db2.gz SMDIDDDPHRDLOE-VXGBXAGGSA-N 2 0 256.394 -0.230 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221411872 825187729 /nfs/dbraw/zinc/18/77/29/825187729.db2.gz YHLRHSLWWABMMY-STQMWFEESA-N 2 0 277.372 -0.216 20 0 CBADRP CNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791339 825193636 /nfs/dbraw/zinc/19/36/36/825193636.db2.gz HGEMBKWJJXDHQQ-YNEHKIRRSA-N 2 0 296.415 -0.395 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791414 825193773 /nfs/dbraw/zinc/19/37/73/825193773.db2.gz KALAKEWEKQPGKW-YNEHKIRRSA-N 2 0 269.389 -0.148 20 0 CBADRP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001221777038 825194670 /nfs/dbraw/zinc/19/46/70/825194670.db2.gz OVPNSGQOJMGHDD-CHWSQXEVSA-N 2 0 269.389 -0.147 20 0 CBADRP Nc1[nH]c(CN2CCNC3(CC[NH2+]CC3)C2)c[nH+]1 ZINC001222109545 825200778 /nfs/dbraw/zinc/20/07/78/825200778.db2.gz KLAGKKLQJSEBQG-UHFFFAOYSA-N 2 0 250.350 -0.481 20 0 CBADRP COC(=O)[C@@H](C)C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491569 825211775 /nfs/dbraw/zinc/21/17/75/825211775.db2.gz FAPIROCAQVOJRA-SRVKXCTJSA-N 2 0 255.362 -0.179 20 0 CBADRP C([C@@H]1C[NH2+]CCO1)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492514 825213351 /nfs/dbraw/zinc/21/33/51/825213351.db2.gz ZANBROPZWWBHQR-AVGNSLFASA-N 2 0 254.378 -0.999 20 0 CBADRP O=C1NCC[C@]12C[N@H+](CCCCCO)CC21C[NH2+]C1 ZINC001222520857 825214606 /nfs/dbraw/zinc/21/46/06/825214606.db2.gz LWGQXMYGWNGCSN-AWEZNQCLSA-N 2 0 267.373 -0.440 20 0 CBADRP CC(C)[C@@H](C(=O)NCC1CC[NH+](CC(N)=O)CC1)[NH+](C)C ZINC001223525413 825230706 /nfs/dbraw/zinc/23/07/06/825230706.db2.gz UDQHJGIFGFYDJP-AWEZNQCLSA-N 2 0 298.431 -0.114 20 0 CBADRP CC[C@@H](C(=O)NCC1CC[NH+](CC(N)=O)CC1)[NH+](C)C ZINC001224582791 825243803 /nfs/dbraw/zinc/24/38/03/825243803.db2.gz AVGFVWGCDLYAQD-LBPRGKRZSA-N 2 0 284.404 -0.360 20 0 CBADRP NC(=O)C[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001225435581 825256078 /nfs/dbraw/zinc/25/60/78/825256078.db2.gz LQVKUVSNCAQGKD-UHFFFAOYSA-N 2 0 282.388 -0.604 20 0 CBADRP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O)C1CCC1 ZINC001226831032 825289402 /nfs/dbraw/zinc/28/94/02/825289402.db2.gz MFUJDJGGJGHXGW-CHWSQXEVSA-N 2 0 296.415 -0.027 20 0 CBADRP C[NH+](C)CCCC(=O)NC1CCN([C@@H]2CCNC2=O)CC1 ZINC001228889303 825324056 /nfs/dbraw/zinc/32/40/56/825324056.db2.gz YJORHIHWOJTQHN-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229008405 825326702 /nfs/dbraw/zinc/32/67/02/825326702.db2.gz NPFOYPUUPYPVJY-GFCCVEGCSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[N@H+](C)CCC(=O)NC1CC[NH+](CCO)CC1 ZINC001229909516 825339506 /nfs/dbraw/zinc/33/95/06/825339506.db2.gz XZCBHGHLCSFDQT-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230262770 825344746 /nfs/dbraw/zinc/34/47/46/825344746.db2.gz RGRYDFLIWINSAN-OCCSQVGLSA-N 2 0 299.415 -0.474 20 0 CBADRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1c[nH]c(=O)[nH]c1=O ZINC001231703194 825412841 /nfs/dbraw/zinc/41/28/41/825412841.db2.gz QRSRKFIDJHLLTO-UHFFFAOYSA-N 2 0 281.360 -0.433 20 0 CBADRP C[NH+]1CCN(C2CN(Cc3c[nH]c(=O)[nH]c3=O)C2)CC1 ZINC001231706475 825413078 /nfs/dbraw/zinc/41/30/78/825413078.db2.gz LRISHKLZBTXWII-UHFFFAOYSA-N 2 0 279.344 -0.681 20 0 CBADRP C(CN1CCN2CC[NH2+]C[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC001234974498 825478265 /nfs/dbraw/zinc/47/82/65/825478265.db2.gz KXEHWHNHQOGADS-KGLIPLIRSA-N 2 0 252.406 -0.035 20 0 CBADRP CC1(C)[NH2+][C@@H](CCN2CCN3CC[NH2+]C[C@@H]3C2)CO1 ZINC001234973927 825478761 /nfs/dbraw/zinc/47/87/61/825478761.db2.gz IUHAUSHLBXRJNA-QWHCGFSZSA-N 2 0 268.405 -0.310 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CCNC[C@@]23CC[NH2+]C3)O1 ZINC001234981892 825481151 /nfs/dbraw/zinc/48/11/51/825481151.db2.gz PTYOICGIPBOAPV-AAEUAGOBSA-N 2 0 254.378 -0.652 20 0 CBADRP O=c1[nH]cc(CN2CCN[C@@]3(CC[NH2+]C3)C2)c(=O)[nH]1 ZINC001235061270 825485022 /nfs/dbraw/zinc/48/50/22/825485022.db2.gz JMTSUURCALISJC-GFCCVEGCSA-N 2 0 265.317 -0.975 20 0 CBADRP C[NH+]1CCC(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001235056325 825485078 /nfs/dbraw/zinc/48/50/78/825485078.db2.gz XSZFEYJYZIPFDR-CQSZACIVSA-N 3 0 252.406 -0.035 20 0 CBADRP c1nc2n(c1CN1CCN[C@]3(CC[NH2+]C3)C1)CCNC2 ZINC001235059962 825485117 /nfs/dbraw/zinc/48/51/17/825485117.db2.gz DFQANDKWFMEFLV-AWEZNQCLSA-N 2 0 276.388 -0.876 20 0 CBADRP C(c1nc2c(s1)C[NH2+]CC2)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235064914 825486647 /nfs/dbraw/zinc/48/66/47/825486647.db2.gz ZAOYQQNXGOZHGV-CQSZACIVSA-N 2 0 293.440 -0.074 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CC[NH2+]C[C@]3(CCCC(=O)N3)C2)O1 ZINC001235179349 825489564 /nfs/dbraw/zinc/48/95/64/825489564.db2.gz ZJLYTSLIRXUKSA-SWLSCSKDSA-N 2 0 296.415 -0.345 20 0 CBADRP CCOC(=O)[C@H]1C[C@@H]2C[N@H+](CCCC[NH3+])C[C@@H]2N1 ZINC001235267203 825491201 /nfs/dbraw/zinc/49/12/01/825491201.db2.gz GVTTUKZIADBREG-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](C[C@H](C)[NH3+])C2 ZINC001235337420 825494931 /nfs/dbraw/zinc/49/49/31/825494931.db2.gz MEUAEXQEYREEHG-XJGUIPMBSA-N 3 0 267.373 -0.336 20 0 CBADRP C[NH+](C)CCn1c(=O)ccc2c1CCN(CC[NH3+])CC2 ZINC001235487595 825497567 /nfs/dbraw/zinc/49/75/67/825497567.db2.gz HUYZMUUEPRTVSE-UHFFFAOYSA-N 2 0 278.400 -0.231 20 0 CBADRP CC(=O)N1CCOC[C@@]2(C[N@H+](CCCC[NH3+])CCO2)C1 ZINC001235543161 825501012 /nfs/dbraw/zinc/50/10/12/825501012.db2.gz UUUOZDRRYKJTIF-CQSZACIVSA-N 2 0 285.388 -0.325 20 0 CBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](CCO)CC2 ZINC001235567100 825505095 /nfs/dbraw/zinc/50/50/95/825505095.db2.gz CVAKDPKOBVPZSF-UHFFFAOYSA-N 2 0 298.431 -0.851 20 0 CBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2CC[NH3+])CC1 ZINC001235642267 825510332 /nfs/dbraw/zinc/51/03/32/825510332.db2.gz DZUCNQWPNPPWLS-UHFFFAOYSA-N 2 0 268.405 -0.036 20 0 CBADRP COC(=O)[C@H]1C[C@@H]([NH3+])CN(C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235771166 825513142 /nfs/dbraw/zinc/51/31/42/825513142.db2.gz KEVCXDHPBFSJIQ-AXFHLTTASA-N 2 0 271.361 -0.467 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN(C[C@H]2CCCC[NH2+]2)C1 ZINC001235775787 825514642 /nfs/dbraw/zinc/51/46/42/825514642.db2.gz RQMKOODZFOWBLL-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP Cc1cncc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235868107 825514859 /nfs/dbraw/zinc/51/48/59/825514859.db2.gz AEUYPPLCRAOTNJ-UHFFFAOYSA-N 2 0 277.416 -0.026 20 0 CBADRP COC(=O)C[C@@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235846901 825515638 /nfs/dbraw/zinc/51/56/38/825515638.db2.gz OLBLUMZYOTZTKF-MNOVXSKESA-N 2 0 271.361 -0.452 20 0 CBADRP Cc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)no1 ZINC001235868819 825515749 /nfs/dbraw/zinc/51/57/49/825515749.db2.gz FWHPUICSQBNCRZ-UHFFFAOYSA-N 2 0 267.377 -0.433 20 0 CBADRP Nc1ncc(CN2CC[NH2+]CCNCC[NH2+]CC2)s1 ZINC001235869345 825515811 /nfs/dbraw/zinc/51/58/11/825515811.db2.gz BEGGCWCSRDNHQI-UHFFFAOYSA-N 2 0 284.433 -0.690 20 0 CBADRP Fc1ccnc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235871549 825516353 /nfs/dbraw/zinc/51/63/53/825516353.db2.gz VTZCAWJNNRETQE-UHFFFAOYSA-N 2 0 281.379 -0.195 20 0 CBADRP Cc1ccc(O)c(CN2CC[NH2+]CCNCC[NH2+]CC2)n1 ZINC001235871456 825516496 /nfs/dbraw/zinc/51/64/96/825516496.db2.gz ULCUQRAKVSDFRI-UHFFFAOYSA-N 2 0 293.415 -0.320 20 0 CBADRP c1cnc(CN2CC[NH2+]CCNCC[NH2+]CC2)nc1 ZINC001235870095 825516511 /nfs/dbraw/zinc/51/65/11/825516511.db2.gz NLQHVZOTEFUELJ-UHFFFAOYSA-N 2 0 264.377 -0.939 20 0 CBADRP Cc1nn(C)cc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871703 825516662 /nfs/dbraw/zinc/51/66/62/825516662.db2.gz VZNHIHJNAMXLKB-UHFFFAOYSA-N 2 0 280.420 -0.687 20 0 CBADRP Cc1ccncc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871394 825516790 /nfs/dbraw/zinc/51/67/90/825516790.db2.gz SXOUMALHFNKMDF-UHFFFAOYSA-N 2 0 277.416 -0.026 20 0 CBADRP Cc1ncncc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235874947 825518282 /nfs/dbraw/zinc/51/82/82/825518282.db2.gz YBQCJIBHPUZAIV-UHFFFAOYSA-N 2 0 278.404 -0.631 20 0 CBADRP CCCn1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)cn1 ZINC001235872174 825518757 /nfs/dbraw/zinc/51/87/57/825518757.db2.gz ZSGPHTZFDUSWAO-UHFFFAOYSA-N 2 0 294.447 -0.123 20 0 CBADRP CCOC(=O)[C@]12CN(C[C@@H]3COCC[NH2+]3)C[C@H]1C[NH2+]CC2 ZINC001236037309 825519143 /nfs/dbraw/zinc/51/91/43/825519143.db2.gz GGUSQYSAMHEPJS-UMVBOHGHSA-N 2 0 297.399 -0.551 20 0 CBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](CCCO)C[C@H]1C2 ZINC001236023705 825520275 /nfs/dbraw/zinc/52/02/75/825520275.db2.gz UCPAGJOEWIUADG-CZXHOFHRSA-N 2 0 268.357 -0.301 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1Cc1nc2c(s1)C[NH2+]CC2 ZINC001236056764 825520869 /nfs/dbraw/zinc/52/08/69/825520869.db2.gz QABMZMJHLPQWTK-JTQLQIEISA-N 2 0 296.396 -0.264 20 0 CBADRP c1cc(N2CC[NH2+]CC2)ncc1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236290326 825525828 /nfs/dbraw/zinc/52/58/28/825525828.db2.gz JIIOYJJPRCMDJQ-KGLIPLIRSA-N 2 0 273.384 -0.105 20 0 CBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])CC[C@@H]1CCCC[NH2+]1 ZINC001236308740 825526861 /nfs/dbraw/zinc/52/68/61/825526861.db2.gz GSQIQIRGAHTKOJ-AWEZNQCLSA-N 3 0 299.463 -0.366 20 0 CBADRP COC(=O)[C@@H]1C[N@H+](CC2(C)CC[NH2+]CC2)C[C@@H]1N ZINC001236340013 825526901 /nfs/dbraw/zinc/52/69/01/825526901.db2.gz GWULVILKTCXGEO-MNOVXSKESA-N 2 0 255.362 -0.192 20 0 CBADRP COC(=O)[C@@H]1CN(CC2(F)CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001236340820 825527259 /nfs/dbraw/zinc/52/72/59/825527259.db2.gz JYVPDIJFUIOXTA-ZJUUUORDSA-N 2 0 259.325 -0.490 20 0 CBADRP COC(=O)[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@@H]1N ZINC001236343984 825528421 /nfs/dbraw/zinc/52/84/21/825528421.db2.gz QPNMAKOZCOEJCB-NEPJUHHUSA-N 2 0 255.362 -0.192 20 0 CBADRP COC(=O)[C@@H]1CN(CC[C@@H]2CCCC[NH2+]2)C[C@@H]1[NH3+] ZINC001236346156 825529311 /nfs/dbraw/zinc/52/93/11/825529311.db2.gz WWXKWERVSFBFIV-TUAOUCFPSA-N 2 0 255.362 -0.049 20 0 CBADRP COC(=O)[C@H]1C[N@H+](CC2CC[NH+](C)CC2)C[C@@H]1N ZINC001236346206 825529675 /nfs/dbraw/zinc/52/96/75/825529675.db2.gz YFQUHCDSPWGMJI-RYUDHWBXSA-N 2 0 255.362 -0.240 20 0 CBADRP C[NH+](C)CC(=O)N[C@@H]1CCCN(C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001236466147 825531703 /nfs/dbraw/zinc/53/17/03/825531703.db2.gz DYQWYCBFFSLYQB-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP [NH3+]CCN(CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236400503 825532471 /nfs/dbraw/zinc/53/24/71/825532471.db2.gz XKSCTHYYAWRIQW-UHFFFAOYSA-N 2 0 270.421 -0.421 20 0 CBADRP C[NH+](C)CCN(CC[C@H]1C[NH2+]CCO1)[C@H]1CCC[NH2+]C1 ZINC001236924701 825533395 /nfs/dbraw/zinc/53/33/95/825533395.db2.gz SERLAVXMEJIWBI-GJZGRUSLSA-N 3 0 284.448 -0.020 20 0 CBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C[C@@H]1C[NH2+]C(C)(C)O1)CC2 ZINC001237066822 825533508 /nfs/dbraw/zinc/53/35/08/825533508.db2.gz YYJROCQVBCCHCY-YWPYICTPSA-N 2 0 297.399 -0.062 20 0 CBADRP CCOC(=O)[C@H]1C[N@H+](CCCO)CCC12C[NH2+]C2 ZINC001237409182 825535450 /nfs/dbraw/zinc/53/54/50/825535450.db2.gz GMOGWQPOBXGCDD-LLVKDONJSA-N 2 0 256.346 -0.157 20 0 CBADRP C[NH+]1CCN(c2ccc(NS(=O)(=O)CC[NH3+])cn2)CC1 ZINC001237482026 825535519 /nfs/dbraw/zinc/53/55/19/825535519.db2.gz YBNLXMMGFAEKMB-UHFFFAOYSA-N 2 0 299.400 -0.466 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001237744752 825543242 /nfs/dbraw/zinc/54/32/42/825543242.db2.gz FMRMISRCKVXUGL-UHFFFAOYSA-N 2 0 284.385 -0.203 20 0 CBADRP C[C@@H]1C[C@@H](CNS(=O)(=O)CC2CC[NH2+]CC2)C[NH2+]1 ZINC001238126020 825546916 /nfs/dbraw/zinc/54/69/16/825546916.db2.gz SUVZHGVIXXAXHR-ZYHUDNBSSA-N 2 0 275.418 -0.097 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1C[NH2+]C[C@H]1F ZINC001238218728 825549751 /nfs/dbraw/zinc/54/97/51/825549751.db2.gz BBMRTDNKNGCGKD-ZJUUUORDSA-N 2 0 265.354 -0.785 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1CNS(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC001238181129 825549759 /nfs/dbraw/zinc/54/97/59/825549759.db2.gz FCWGERDEMQFRBH-OUAUKWLOSA-N 2 0 261.391 -0.487 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC1CC2(C[NH2+]C2)C1 ZINC001238270440 825550349 /nfs/dbraw/zinc/55/03/49/825550349.db2.gz AEHJRYRBWXEVOR-UHFFFAOYSA-N 2 0 273.402 -0.343 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC001238269760 825550493 /nfs/dbraw/zinc/55/04/93/825550493.db2.gz ITSKZWSPESWEKB-FRRDWIJNSA-N 2 0 287.429 -0.097 20 0 CBADRP C=CS(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238243121 825550656 /nfs/dbraw/zinc/55/06/56/825550656.db2.gz RVXYHHCFDXEHCW-JTQLQIEISA-N 2 0 259.375 -0.077 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001238300165 825550811 /nfs/dbraw/zinc/55/08/11/825550811.db2.gz HXGOQSBYTZOFKF-CLLJXQQHSA-N 2 0 287.429 -0.097 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001238342088 825552119 /nfs/dbraw/zinc/55/21/19/825552119.db2.gz GDNBJIQEBGKZLI-MNOVXSKESA-N 2 0 277.390 -0.977 20 0 CBADRP O=S(=O)(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC001238597119 825555862 /nfs/dbraw/zinc/55/58/62/825555862.db2.gz RBCWTRANDAVWAH-UONOGXRCSA-N 2 0 295.408 -0.018 20 0 CBADRP C[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)[C@@H]1C[NH2+]CCO1 ZINC001238626061 825557390 /nfs/dbraw/zinc/55/73/90/825557390.db2.gz QOBIYIKWBQGMNW-PWSUYJOCSA-N 2 0 291.417 -0.718 20 0 CBADRP [NH3+]CCS(=O)(=O)NCc1ncn2ccccc12 ZINC001238827901 825565060 /nfs/dbraw/zinc/56/50/60/825565060.db2.gz KOFKLCJJVBFYIK-UHFFFAOYSA-N 2 0 254.315 -0.288 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)CC[NH3+])[C@@H](C)C1 ZINC001238912355 825570698 /nfs/dbraw/zinc/57/06/98/825570698.db2.gz LIGHDRDUGLOLTO-QWRGUYRKSA-N 2 0 263.407 -0.017 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](NS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001238905555 825570920 /nfs/dbraw/zinc/57/09/20/825570920.db2.gz YGYFYWLEFJHQHU-PWSUYJOCSA-N 2 0 275.418 -0.097 20 0 CBADRP C[C@H]1CC[NH2+]CCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC001238934445 825573576 /nfs/dbraw/zinc/57/35/76/825573576.db2.gz CAVNHHZSQJQOFJ-NSHDSACASA-N 2 0 275.418 0.000 20 0 CBADRP [NH3+]C[C@@]1(O)CCCN(S(=O)(=O)C2CC[NH2+]CC2)CC1 ZINC001238931678 825574119 /nfs/dbraw/zinc/57/41/19/825574119.db2.gz CWECQQYKFBPDPK-GFCCVEGCSA-N 2 0 291.417 -0.756 20 0 CBADRP C[C@@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001238949447 825576008 /nfs/dbraw/zinc/57/60/08/825576008.db2.gz ZPRCAGVZFRXWMZ-PWSUYJOCSA-N 2 0 275.418 -0.015 20 0 CBADRP C[C@@H]1CC[C@@H](C[NH3+])N(S(=O)(=O)[C@H]2CC[NH2+]C2)C1 ZINC001238947389 825576453 /nfs/dbraw/zinc/57/64/53/825576453.db2.gz KGKYYKGSFUMEJV-VWYCJHECSA-N 2 0 261.391 -0.263 20 0 CBADRP CC1(C[NH3+])CN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001238984265 825580839 /nfs/dbraw/zinc/58/08/39/825580839.db2.gz QRRAFHQUKMBIGQ-UHFFFAOYSA-N 2 0 261.391 -0.404 20 0 CBADRP [NH3+][C@@H]1C[C@@H](F)CN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001238978067 825581279 /nfs/dbraw/zinc/58/12/79/825581279.db2.gz ZHYSBWQEIXKDTQ-GHMZBOCLSA-N 2 0 279.381 -0.313 20 0 CBADRP O=S(=O)([C@@H]1CC[NH2+]C1)N1CCCC[C@]12CC[NH2+]C2 ZINC001239043941 825583881 /nfs/dbraw/zinc/58/38/81/825583881.db2.gz ZCUQNOJCKVGPDI-VXGBXAGGSA-N 2 0 273.402 -0.104 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001239059119 825583965 /nfs/dbraw/zinc/58/39/65/825583965.db2.gz UINPKDOFSBWBOF-RYUDHWBXSA-N 2 0 273.402 -0.248 20 0 CBADRP O=S(=O)([C@H]1CC[NH2+]C1)N1CCCC[C@@]12CC[NH2+]C2 ZINC001239043940 825584016 /nfs/dbraw/zinc/58/40/16/825584016.db2.gz ZCUQNOJCKVGPDI-RYUDHWBXSA-N 2 0 273.402 -0.104 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2C[NH2+]CC[C@H]21 ZINC001239060452 825584262 /nfs/dbraw/zinc/58/42/62/825584262.db2.gz UEKHSASMOZVIBB-VXGBXAGGSA-N 2 0 273.402 -0.391 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@]2(CC[NH2+]2)C1 ZINC001239034368 825584326 /nfs/dbraw/zinc/58/43/26/825584326.db2.gz WQUKJHDQZDVXQI-GFCCVEGCSA-N 2 0 273.402 -0.246 20 0 CBADRP [NH3+]CCS(=O)(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001239073425 825584707 /nfs/dbraw/zinc/58/47/07/825584707.db2.gz MZEIUKSFQVVMCV-IUCAKERBSA-N 2 0 265.354 -0.716 20 0 CBADRP CC1(N2CCN(S(=O)(=O)CC[NH3+])CC2)CC[NH2+]CC1 ZINC001239090756 825586173 /nfs/dbraw/zinc/58/61/73/825586173.db2.gz HPNCUTKPENBXJB-UHFFFAOYSA-N 2 0 290.433 -0.965 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(S(=O)(=O)CC3CC[NH2+]CC3)C[C@H]21 ZINC001239101790 825587625 /nfs/dbraw/zinc/58/76/25/825587625.db2.gz TZTJIHLDPYASHM-QWHCGFSZSA-N 2 0 287.429 -0.048 20 0 CBADRP COCCCN(C1CC[NH2+]CC1)S(=O)(=O)CC[NH3+] ZINC001239100969 825587750 /nfs/dbraw/zinc/58/77/50/825587750.db2.gz VJNOTIIGFBRTPX-UHFFFAOYSA-N 2 0 279.406 -0.635 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001239099219 825588208 /nfs/dbraw/zinc/58/82/08/825588208.db2.gz HVJRDFMHHCMOIS-STQMWFEESA-N 2 0 287.429 -0.143 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001239110175 825589735 /nfs/dbraw/zinc/58/97/35/825589735.db2.gz ASQRNVSKLZDUJU-STQMWFEESA-N 2 0 287.429 0.000 20 0 CBADRP CCN(CC[NH2+]C)S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239118219 825589858 /nfs/dbraw/zinc/58/98/58/825589858.db2.gz BKVJUSOUNOJOPH-UHFFFAOYSA-N 2 0 263.407 -0.143 20 0 CBADRP C[N@H+](C1CC1)C1CCN(S(=O)(=O)CC[NH3+])CC1 ZINC001239114159 825589940 /nfs/dbraw/zinc/58/99/40/825589940.db2.gz UPCDKZNKFJMGFP-UHFFFAOYSA-N 2 0 261.391 -0.167 20 0 CBADRP [NH3+]CCNC(=S)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239363927 825600682 /nfs/dbraw/zinc/60/06/82/825600682.db2.gz SNKDBDNJKQLANK-SNVBAGLBSA-N 3 0 271.434 -0.717 20 0 CBADRP CC[NH+](CC)CCCNC(=S)N1CC[C@@H](O)[C@H]([NH3+])C1 ZINC001239410258 825603201 /nfs/dbraw/zinc/60/32/01/825603201.db2.gz JJLDUZGNPQFHIX-VXGBXAGGSA-N 2 0 288.461 -0.013 20 0 CBADRP [NH3+]CCNC(=S)N1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001239405422 825602971 /nfs/dbraw/zinc/60/29/71/825602971.db2.gz CDWRWRFGZORHLU-SSDOTTSWSA-N 2 0 252.334 -0.265 20 0 CBADRP [NH3+][C@@H]1CCN(C(=S)NCC[NH+]2CCCCC2)C[C@H]1O ZINC001239407211 825603037 /nfs/dbraw/zinc/60/30/37/825603037.db2.gz POAFAPLWVBHBEY-VXGBXAGGSA-N 2 0 286.445 -0.259 20 0 CBADRP C[NH+](C)CCNC(=S)N1CCCC[C@](O)(C[NH3+])C1 ZINC001239405764 825603152 /nfs/dbraw/zinc/60/31/52/825603152.db2.gz FDUINMKBILZCDJ-LBPRGKRZSA-N 2 0 274.434 -0.402 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN[C@@H](CCCC[NH3+])C(=O)OC ZINC001245979352 825615981 /nfs/dbraw/zinc/61/59/81/825615981.db2.gz UTGYSYPDUFHNNT-OLZOCXBDSA-N 2 0 289.420 -0.051 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+]C[C@@H](O)CN1CCOCC1 ZINC001245981497 825616198 /nfs/dbraw/zinc/61/61/98/825616198.db2.gz HNFYVOHLFTVLRU-BFHYXJOUSA-N 2 0 271.405 -0.343 20 0 CBADRP [NH3+]CCCC[NH2+]CCC[NH2+]CC1(O)CC[NH2+]CC1 ZINC001246011053 825620960 /nfs/dbraw/zinc/62/09/60/825620960.db2.gz QUNIBXQFOVJASL-UHFFFAOYSA-N 4 0 258.410 -0.591 20 0 CBADRP CC(C)(C)OC[C@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001245977953 825616532 /nfs/dbraw/zinc/61/65/32/825616532.db2.gz YKTGWTLOXLBXKC-NTZNESFSSA-N 2 0 278.368 -0.186 20 0 CBADRP O[C@H](C[NH2+]C[C@@H]1CCC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245979436 825616773 /nfs/dbraw/zinc/61/67/73/825616773.db2.gz AENFCALYSAHVFQ-OLZOCXBDSA-N 3 0 271.405 -0.559 20 0 CBADRP C[C@@H]1CC[C@H](C[NH2+]C[C@H](O)CC2(O)CC[NH2+]CC2)C[NH2+]1 ZINC001245977555 825616932 /nfs/dbraw/zinc/61/69/32/825616932.db2.gz WRIJRJQCGBABKX-MGPQQGTHSA-N 3 0 285.432 -0.170 20 0 CBADRP O[C@]1(CNC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCC[NH2+]C1 ZINC001245988257 825618109 /nfs/dbraw/zinc/61/81/09/825618109.db2.gz VAQJHOXKCNYTSE-UKRRQHHQSA-N 3 0 282.432 -0.435 20 0 CBADRP O[C@@H](CN[C@H]1CCCC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245986954 825618231 /nfs/dbraw/zinc/61/82/31/825618231.db2.gz AHMFHMCMFRCNAN-QWHCGFSZSA-N 2 0 271.405 -0.416 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+]C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001245989290 825618355 /nfs/dbraw/zinc/61/83/55/825618355.db2.gz FQTJFTUDRYRXDA-MJBXVCDLSA-N 3 0 285.432 -0.313 20 0 CBADRP O[C@H](CN[C@H]1C[NH2+]CC12CC2)CC1(O)CC[NH2+]CC1 ZINC001245988399 825618513 /nfs/dbraw/zinc/61/85/13/825618513.db2.gz VSAHDORYIYRZRN-RYUDHWBXSA-N 2 0 269.389 -0.807 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246010732 825620868 /nfs/dbraw/zinc/62/08/68/825620868.db2.gz ZMPZJSYJCXLGJX-NEPJUHHUSA-N 3 0 274.409 -0.738 20 0 CBADRP CCCCOC[C@@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246008706 825620886 /nfs/dbraw/zinc/62/08/86/825620886.db2.gz PIDWEBRUVRXMIV-RYUDHWBXSA-N 2 0 275.393 -0.264 20 0 CBADRP CCCOC[C@@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246009007 825621480 /nfs/dbraw/zinc/62/14/80/825621480.db2.gz QRQWQTJYLYKCMH-QWRGUYRKSA-N 2 0 261.366 -0.654 20 0 CBADRP CCCCOC[C@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246017846 825622073 /nfs/dbraw/zinc/62/20/73/825622073.db2.gz CYJBHVAFBUROBI-OLZOCXBDSA-N 2 0 289.420 -0.003 20 0 CBADRP [NH3+]C[C@@]1(O)CCC[N@H+](CC2(O)CC[NH2+]CC2)CC1 ZINC001246020432 825622229 /nfs/dbraw/zinc/62/22/29/825622229.db2.gz LJNMUWGRJGJBAV-GFCCVEGCSA-N 3 0 257.378 -0.723 20 0 CBADRP [NH3+]CCCC[C@H](NC[C@]1(O)CC[NH2+]C1)C(=O)N1CCCC1 ZINC001246018974 825622709 /nfs/dbraw/zinc/62/27/09/825622709.db2.gz HXKANQVRNXWANN-ZFWWWQNUSA-N 2 0 298.431 -0.580 20 0 CBADRP CC(C)(C)OC(=O)[C@@H](O)C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246023027 825623826 /nfs/dbraw/zinc/62/38/26/825623826.db2.gz RTCQXVLQFRWTFM-FZMZJTMJSA-N 2 0 288.388 -0.135 20 0 CBADRP [NH3+]C[C@@]1(O)CCC[N@H+](CC2(O)CCOCC2)CC1 ZINC001246024388 825624068 /nfs/dbraw/zinc/62/40/68/825624068.db2.gz VHLHFEMURZZVED-GFCCVEGCSA-N 2 0 258.362 -0.296 20 0 CBADRP CCCOC[C@@H](O)C[N@@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001246027889 825626043 /nfs/dbraw/zinc/62/60/43/825626043.db2.gz YPHNIOSPBPOEIH-WFASDCNBSA-N 2 0 297.399 -0.815 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)CN1CCNC[C@@]12CC[NH2+]C2 ZINC001246025201 825626323 /nfs/dbraw/zinc/62/63/23/825626323.db2.gz GORLHAZNUPQKSD-OCCSQVGLSA-N 2 0 270.421 -0.627 20 0 CBADRP O[C@@]1(CN2CC[NH2+]C[C@]3(CCCCN3)C2)CC[NH2+]C1 ZINC001246030331 825627114 /nfs/dbraw/zinc/62/71/14/825627114.db2.gz RTANJPZJOYXTCU-KGLIPLIRSA-N 2 0 268.405 -0.872 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246028665 825627538 /nfs/dbraw/zinc/62/75/38/825627538.db2.gz UETUFSFWECEHSA-TZMCWYRMSA-N 2 0 270.421 -0.627 20 0 CBADRP N[C@@H]1CN(C[C@H](O)CC2(O)CC[NH2+]CC2)CCC1(F)F ZINC001246031067 825628281 /nfs/dbraw/zinc/62/82/81/825628281.db2.gz HMAQDZRSCWVCHV-GHMZBOCLSA-N 2 0 293.358 -0.480 20 0 CBADRP CCOC(=O)C[C@H](O)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246035198 825628657 /nfs/dbraw/zinc/62/86/57/825628657.db2.gz ZWOXWTHBMLJQBN-LBPRGKRZSA-N 2 0 285.388 -0.672 20 0 CBADRP CC1(C[NH3+])CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246036855 825629184 /nfs/dbraw/zinc/62/91/84/825629184.db2.gz SLSNRGNGVQTUHK-NSHDSACASA-N 2 0 257.378 -0.868 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)CN1CCNC2(CC[NH2+]CC2)C1 ZINC001246034552 825629341 /nfs/dbraw/zinc/62/93/41/825629341.db2.gz XNRKLGHWKICQJW-CYBMUJFWSA-N 2 0 284.448 -0.237 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN1C[C@@H]([NH3+])C[C@H]1C(=O)OC ZINC001246064525 825631148 /nfs/dbraw/zinc/63/11/48/825631148.db2.gz NCWXNBHRKKQOOX-SRVKXCTJSA-N 2 0 273.377 -0.736 20 0 CBADRP COC(=O)C1(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCOCC1 ZINC001246075886 825632613 /nfs/dbraw/zinc/63/26/13/825632613.db2.gz BNNHOCCHIIMXTI-LBPRGKRZSA-N 2 0 297.399 -0.360 20 0 CBADRP FC(F)(F)[C@]1(N[C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001246078503 825633229 /nfs/dbraw/zinc/63/32/29/825633229.db2.gz AXJTWUKZUURHIU-KOLCDFICSA-N 2 0 278.322 -0.036 20 0 CBADRP O[C@@]1(C[NH2+][C@@H]2CSC3(C[NH2+]C3)C2)CC[NH2+]C[C@@H]1F ZINC001246080913 825633553 /nfs/dbraw/zinc/63/35/53/825633553.db2.gz GXLPSZKSRVFVOJ-JBLDHEPKSA-N 3 0 275.393 -0.514 20 0 CBADRP O=S1(=O)CCC([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)CC1 ZINC001246083447 825633645 /nfs/dbraw/zinc/63/36/45/825633645.db2.gz PDYYOWXEAPNFED-WDEREUQCSA-N 2 0 280.365 -0.784 20 0 CBADRP O[C@H](C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1ccco1 ZINC001246084349 825634026 /nfs/dbraw/zinc/63/40/26/825634026.db2.gz YQSDRGURFQGKRP-GHMZBOCLSA-N 2 0 251.330 -0.003 20 0 CBADRP CC(=O)N1CCC[C@@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001246086026 825634036 /nfs/dbraw/zinc/63/40/36/825634036.db2.gz YSZONCSJBISJGD-FRRDWIJNSA-N 2 0 273.352 -0.351 20 0 CBADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246089699 825634350 /nfs/dbraw/zinc/63/43/50/825634350.db2.gz RYHVRGVYQKGHBU-QWRGUYRKSA-N 3 0 274.359 -0.085 20 0 CBADRP O=C([C@@H]1C[C@H](N[C@H]2CCCC[NH2+]C2)C[NH2+]1)N1CCSC1 ZINC001246092975 825634481 /nfs/dbraw/zinc/63/44/81/825634481.db2.gz UGROWNIRVUOBEM-AVGNSLFASA-N 2 0 298.456 -0.019 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCCCN2CC[NH2+]CC2)CN1 ZINC001246089772 825634840 /nfs/dbraw/zinc/63/48/40/825634840.db2.gz SNNRDOSEDKRQJG-STQMWFEESA-N 2 0 284.404 -0.835 20 0 CBADRP O=C1CC[C@@H]2C[C@@H]([NH2+]C[C@]3(O)CC[NH2+]C[C@@H]3F)CCN12 ZINC001246088043 825635283 /nfs/dbraw/zinc/63/52/83/825635283.db2.gz IDYMIDCXZOWMAM-KZVDOYCCSA-N 2 0 285.363 -0.208 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)CN1 ZINC001246110751 825635769 /nfs/dbraw/zinc/63/57/69/825635769.db2.gz OHGVOWVADGFXGU-RYUDHWBXSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC001246107982 825636001 /nfs/dbraw/zinc/63/60/01/825636001.db2.gz JOSKAXGIBLCIGS-NEPJUHHUSA-N 3 0 254.378 -0.462 20 0 CBADRP O[C@@]1(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCCC[NH2+]C1 ZINC001246114956 825636126 /nfs/dbraw/zinc/63/61/26/825636126.db2.gz XFRWOZIKLMFYNE-OCCSQVGLSA-N 3 0 268.405 -0.825 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001246126063 825637096 /nfs/dbraw/zinc/63/70/96/825637096.db2.gz KGYVWUUWTGDOJM-ZIAGYGMSSA-N 3 0 294.443 -0.171 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+]C1CC3(C1)CC[NH2+]C3)CCN2 ZINC001246123750 825637690 /nfs/dbraw/zinc/63/76/90/825637690.db2.gz BOUAUPBOMBBKGU-PNESKVBLSA-N 3 0 250.390 -0.188 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246128372 825638014 /nfs/dbraw/zinc/63/80/14/825638014.db2.gz BZBDXJHZZSSIJZ-KGLIPLIRSA-N 3 0 294.443 -0.029 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@@]13CCC[C@@H]1[NH2+]CC3)CCN2 ZINC001246134797 825638591 /nfs/dbraw/zinc/63/85/91/825638591.db2.gz OFJBHJWAUPKDAS-SGMGOOAPSA-N 3 0 250.390 -0.045 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)O2)CN1 ZINC001246129447 825638708 /nfs/dbraw/zinc/63/87/08/825638708.db2.gz DKJBEMGWJKIBBI-UPJWGTAASA-N 2 0 297.399 -0.219 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CC2(CC[NH2+]CC2)O1 ZINC001246135465 825639003 /nfs/dbraw/zinc/63/90/03/825639003.db2.gz YJDUHTOLYYTHPD-CHWSQXEVSA-N 3 0 280.416 -0.419 20 0 CBADRP C(NC1CC[NH2+]CC1)c1nnc2n1CCC[NH2+]C2 ZINC001246136710 825638908 /nfs/dbraw/zinc/63/89/08/825638908.db2.gz SIYXXGTWMWYUHT-UHFFFAOYSA-N 2 0 250.350 -0.387 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@@]13CCC[C@@H]1[NH2+]CC3)CCN2 ZINC001246134796 825639104 /nfs/dbraw/zinc/63/91/04/825639104.db2.gz OFJBHJWAUPKDAS-MBNYWOFBSA-N 3 0 250.390 -0.045 20 0 CBADRP C(NC1CC[NH2+]CC1)c1nnn2c1C[NH2+]CCC2 ZINC001246129747 825639203 /nfs/dbraw/zinc/63/92/03/825639203.db2.gz HVOPYURUMFIGDC-UHFFFAOYSA-N 2 0 250.350 -0.387 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CC[C@H]2CCOC23C[NH2+]C3)CN1 ZINC001246137486 825639515 /nfs/dbraw/zinc/63/95/15/825639515.db2.gz IWYCQGWUKHCKJY-SRVKXCTJSA-N 2 0 283.372 -0.752 20 0 CBADRP C[C@@H]1C[C@H](N[C@H]2CCS(=O)(=O)C23C[NH2+]C3)CC[NH2+]1 ZINC001246133567 825639529 /nfs/dbraw/zinc/63/95/29/825639529.db2.gz OKKSHBYAEQZOKV-MXWKQRLJSA-N 2 0 273.402 -0.754 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+]C1C[C@@H]3COC[C@H](C1)N3)CCN2 ZINC001246133407 825639553 /nfs/dbraw/zinc/63/95/53/825639553.db2.gz JCKWTFTYZNLKSG-ODWCKFRGSA-N 2 0 266.389 -0.811 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@@H]1COCCC13C[NH2+]C3)CCN2 ZINC001246138447 825640588 /nfs/dbraw/zinc/64/05/88/825640588.db2.gz MLVMEAUSOYLFFR-VXGBXAGGSA-N 3 0 266.389 -0.952 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CO[C@]3(CC[NH2+]C3)C2)CN1 ZINC001246149690 825641060 /nfs/dbraw/zinc/64/10/60/825641060.db2.gz DYAYVGAVVBVKQR-MRBYEJRBSA-N 2 0 269.345 -1.000 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(N[C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)N1 ZINC001246144363 825641193 /nfs/dbraw/zinc/64/11/93/825641193.db2.gz KSHPUPIOOJBDHZ-YHMTXAQFSA-N 2 0 250.346 -0.848 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246149565 825641412 /nfs/dbraw/zinc/64/14/12/825641412.db2.gz KCUHQKJUZZFVLD-CKIKVBCHSA-N 2 0 283.372 -0.896 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)CN1 ZINC001246150903 825642501 /nfs/dbraw/zinc/64/25/01/825642501.db2.gz UQICIQLQPLQMNH-FPYNETTCSA-N 2 0 283.372 -0.896 20 0 CBADRP C([NH2+][C@H]1CCOC2(C[NH2+]C2)C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246150567 825642592 /nfs/dbraw/zinc/64/25/92/825642592.db2.gz WLPTWXGIVWKKNV-KBPBESRZSA-N 3 0 294.443 -0.029 20 0 CBADRP C[NH2+]C1CCC(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)CC1 ZINC001246154610 825643156 /nfs/dbraw/zinc/64/31/56/825643156.db2.gz VQSNNVCBFBEAJE-FFJHZOIPSA-N 2 0 252.362 -0.315 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001246159709 825643464 /nfs/dbraw/zinc/64/34/64/825643464.db2.gz ZNSBLIYJICQLCA-RFQIPJPRSA-N 3 0 280.416 -0.706 20 0 CBADRP Cn1cc2c(n1)[C@@H](C[NH2+][C@@H]1CCNC3(C[NH2+]C3)C1)OCC2 ZINC001246164117 825644500 /nfs/dbraw/zinc/64/45/00/825644500.db2.gz LXIFNEASKLLBKM-CHWSQXEVSA-N 2 0 291.399 -0.283 20 0 CBADRP F[C@]1(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCCNC1 ZINC001246180150 825645771 /nfs/dbraw/zinc/64/57/71/825645771.db2.gz PZQIJEBNDSWYIC-NWDGAFQWSA-N 2 0 256.369 -0.238 20 0 CBADRP CN1CC[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246184190 825646679 /nfs/dbraw/zinc/64/66/79/825646679.db2.gz JRQOMQXTODEWMY-MNOVXSKESA-N 2 0 252.362 -0.709 20 0 CBADRP O=C([C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]2)C[NH2+]1)N1CCSC1 ZINC001246185552 825646795 /nfs/dbraw/zinc/64/67/95/825646795.db2.gz BSNSHARZVOUPEW-UTUOFQBUSA-N 2 0 284.429 -0.409 20 0 CBADRP CCN(CC)C(=O)[C@H](C)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246182685 825646813 /nfs/dbraw/zinc/64/68/13/825646813.db2.gz SSVYLTBFICQUSP-RYUDHWBXSA-N 2 0 268.405 -0.073 20 0 CBADRP COC(=O)CN1CCC([NH2+]C2CC[NH2+]CC2)CC1 ZINC001246184212 825646865 /nfs/dbraw/zinc/64/68/65/825646865.db2.gz ICAWIEPLCDLCQG-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP CN1CC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246184191 825647105 /nfs/dbraw/zinc/64/71/05/825647105.db2.gz JRQOMQXTODEWMY-QWRGUYRKSA-N 2 0 252.362 -0.709 20 0 CBADRP CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246184298 825647476 /nfs/dbraw/zinc/64/74/76/825647476.db2.gz JJVXHVVKEUQWOM-OLZOCXBDSA-N 2 0 266.389 -0.319 20 0 CBADRP COc1ncnc(OC)c1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246192697 825648110 /nfs/dbraw/zinc/64/81/10/825648110.db2.gz XOVICZUIRAQUSK-JTQLQIEISA-N 2 0 293.371 -0.323 20 0 CBADRP OC1(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCOCC1 ZINC001246185800 825648240 /nfs/dbraw/zinc/64/82/40/825648240.db2.gz GRIGBWOMNKQROK-NSHDSACASA-N 2 0 255.362 -0.789 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC001246197799 825649067 /nfs/dbraw/zinc/64/90/67/825649067.db2.gz AXKAQRUWPKWJGU-IJLUTSLNSA-N 2 0 255.362 -0.131 20 0 CBADRP CCOC(=O)[C@@H]1CNCC[C@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246201396 825649910 /nfs/dbraw/zinc/64/99/10/825649910.db2.gz PFWVOVMJAJAZPQ-YNEHKIRRSA-N 2 0 296.415 -0.789 20 0 CBADRP O=S1(=O)CCC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246196134 825649944 /nfs/dbraw/zinc/64/99/44/825649944.db2.gz MPEHDXOWIUJPMC-NSHDSACASA-N 2 0 273.402 -0.753 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CN1 ZINC001246209438 825650231 /nfs/dbraw/zinc/65/02/31/825650231.db2.gz IAQDNDFYGUCHIV-BJDJZHNGSA-N 2 0 255.362 -0.003 20 0 CBADRP COC(=O)CCC(=O)C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246211438 825650701 /nfs/dbraw/zinc/65/07/01/825650701.db2.gz JSHIRNWJBSPHDJ-SNVBAGLBSA-N 2 0 269.345 -0.808 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)CN1 ZINC001246211240 825650776 /nfs/dbraw/zinc/65/07/76/825650776.db2.gz NEFRUYBDDAIXNI-QWRGUYRKSA-N 2 0 255.362 -0.131 20 0 CBADRP COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246212410 825650798 /nfs/dbraw/zinc/65/07/98/825650798.db2.gz LYXYXCNDCFJPQG-AXFHLTTASA-N 2 0 285.392 -0.479 20 0 CBADRP O=C1C[C@H]([NH2+]C2CN(C3CC[NH2+]CC3)C2)CCN1 ZINC001246214716 825651668 /nfs/dbraw/zinc/65/16/68/825651668.db2.gz KLXWKHGUXHQFCR-SNVBAGLBSA-N 2 0 252.362 -0.709 20 0 CBADRP COC(=O)[C@@H]1CC[C@H](N[C@@H]2CC[NH2+]C[C@H]2OC)CN1 ZINC001246218153 825651709 /nfs/dbraw/zinc/65/17/09/825651709.db2.gz MVKSDRUFNBJWEG-WHOHXGKFSA-N 2 0 271.361 -0.754 20 0 CBADRP CC(=O)N1CC[C@H]([NH2+]C2CN(C3CC[NH2+]CC3)C2)C1 ZINC001246219478 825651786 /nfs/dbraw/zinc/65/17/86/825651786.db2.gz ZUQNKZDZPXWSNL-LBPRGKRZSA-N 2 0 266.389 -0.367 20 0 CBADRP CC1(C)O[C@@H]2[C@@H](O)C[C@@H]([NH2+]C3CC[NH2+]CC3)[C@@H]2O1 ZINC001246216733 825651797 /nfs/dbraw/zinc/65/17/97/825651797.db2.gz BZUWDJKUBIWWTO-NOOOWODRSA-N 2 0 256.346 -0.019 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@]2(C)CC[NH2+]C2)CN1 ZINC001246216451 825651977 /nfs/dbraw/zinc/65/19/77/825651977.db2.gz JZACFHBEXFEQOA-GVXVVHGQSA-N 2 0 255.362 -0.131 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@]2(C)CC[NH2+]C2)CN1 ZINC001246216448 825652064 /nfs/dbraw/zinc/65/20/64/825652064.db2.gz JZACFHBEXFEQOA-GMXVVIOVSA-N 2 0 255.362 -0.131 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C1(N2CCCC2)COC1 ZINC001246221101 825652964 /nfs/dbraw/zinc/65/29/64/825652964.db2.gz IDUNHZWYYWNBLE-ZDUSSCGKSA-N 2 0 280.416 -0.465 20 0 CBADRP F[C@@H]1C[NH2+]CC[C@H]1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246223601 825652989 /nfs/dbraw/zinc/65/29/89/825652989.db2.gz RSPQDHSCLKPVBF-SDDRHHMPSA-N 3 0 256.369 -0.382 20 0 CBADRP FC1(F)CNC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246220558 825653215 /nfs/dbraw/zinc/65/32/15/825653215.db2.gz DPLSIQOKMVMICW-NXEZZACHSA-N 2 0 260.332 -0.333 20 0 CBADRP F[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246220725 825653381 /nfs/dbraw/zinc/65/33/81/825653381.db2.gz HQMTWHACNWKQKU-GRYCIOLGSA-N 3 0 256.369 -0.382 20 0 CBADRP OCCN1CCC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246231957 825654488 /nfs/dbraw/zinc/65/44/88/825654488.db2.gz VPUOFNVWGOUDAQ-CYBMUJFWSA-N 2 0 268.405 -0.873 20 0 CBADRP O[C@@H](C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC001246230669 825654500 /nfs/dbraw/zinc/65/45/00/825654500.db2.gz RCTSOESPBGXICS-OLZOCXBDSA-N 3 0 268.405 -0.970 20 0 CBADRP OCCN1CCC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246231958 825654713 /nfs/dbraw/zinc/65/47/13/825654713.db2.gz VPUOFNVWGOUDAQ-ZDUSSCGKSA-N 2 0 268.405 -0.873 20 0 CBADRP Cc1nc(CC[NH3+])nn1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246245874 825655001 /nfs/dbraw/zinc/65/50/01/825655001.db2.gz UFTUYBKFEGBZBF-SNVBAGLBSA-N 2 0 250.350 -0.646 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001246246444 825655505 /nfs/dbraw/zinc/65/55/05/825655505.db2.gz HZQPXKWFANLVPG-KBPBESRZSA-N 3 0 294.443 -0.171 20 0 CBADRP CC(=O)N1CCC(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246241222 825655387 /nfs/dbraw/zinc/65/53/87/825655387.db2.gz YKGAOQFJXWPEBC-CQSZACIVSA-N 2 0 280.416 -0.072 20 0 CBADRP CC1(C)OCC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CO1 ZINC001246242746 825655678 /nfs/dbraw/zinc/65/56/78/825655678.db2.gz HAXBPRSADQSPCE-SNVBAGLBSA-N 2 0 255.362 -0.179 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCN2CCC[N@H+](C)CC2)CN1 ZINC001246238071 825655730 /nfs/dbraw/zinc/65/57/30/825655730.db2.gz CZTCDVUPRJXYEO-KBPBESRZSA-N 2 0 298.431 -0.493 20 0 CBADRP NC(=O)c1cccc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246257479 825656246 /nfs/dbraw/zinc/65/62/46/825656246.db2.gz XAMHADORFOYNJJ-CYBMUJFWSA-N 2 0 274.368 -0.031 20 0 CBADRP FC(F)(F)C1(N[C@@H]2CCNC3(C[NH2+]C3)C2)C[NH2+]C1 ZINC001246255481 825656535 /nfs/dbraw/zinc/65/65/35/825656535.db2.gz WUWVOLSGPFJWMI-MRVPVSSYSA-N 2 0 264.295 -0.426 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC3(CC[NH2+]CC3)C2)CN1 ZINC001246256016 825656551 /nfs/dbraw/zinc/65/65/51/825656551.db2.gz MSFUFCSLPITSNC-UPJWGTAASA-N 2 0 297.399 -0.219 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CO[C@]3(C2)CCC[NH2+]C3)CN1 ZINC001246256393 825656689 /nfs/dbraw/zinc/65/66/89/825656689.db2.gz PALIORWOTSSYAS-XFMPKHEZSA-N 2 0 297.399 -0.219 20 0 CBADRP CS(=O)(=O)C1(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCC1 ZINC001246253292 825656871 /nfs/dbraw/zinc/65/68/71/825656871.db2.gz CRPYWRRCKFWIIK-LLVKDONJSA-N 2 0 287.429 -0.363 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH2+][C@@H]1CC[NH2+][C@@H](C)C1)C(N)=O ZINC001246266531 825657454 /nfs/dbraw/zinc/65/74/54/825657454.db2.gz CKFLADPIKPNCHF-UHTWSYAYSA-N 2 0 284.404 -0.123 20 0 CBADRP CN1CCOC[C@H]1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246262637 825657684 /nfs/dbraw/zinc/65/76/84/825657684.db2.gz CYYBWSGJZGYFLR-NWDGAFQWSA-N 2 0 254.378 -0.999 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH2+][C@@H]1CC[NH2+][C@H](C)C1)C(N)=O ZINC001246266528 825658273 /nfs/dbraw/zinc/65/82/73/825658273.db2.gz CKFLADPIKPNCHF-RTXFEEFZSA-N 2 0 284.404 -0.123 20 0 CBADRP CCC[NH2+]CCN[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246271188 825658290 /nfs/dbraw/zinc/65/82/90/825658290.db2.gz QIUOWEGKPBCHBY-RYUDHWBXSA-N 2 0 286.445 -0.161 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH2+]C1CC[NH2+]CC1)C(N)=O ZINC001246272122 825658442 /nfs/dbraw/zinc/65/84/42/825658442.db2.gz UBNFGPZRWMOAJC-LBPRGKRZSA-N 2 0 270.377 -0.512 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCCN(C)CCC[NH3+])CN1 ZINC001246282601 825659373 /nfs/dbraw/zinc/65/93/73/825659373.db2.gz DZFNCAMMZXYTPT-STQMWFEESA-N 2 0 286.420 -0.460 20 0 CBADRP COC(=O)[C@@H]1C[C@H](N(CCC[NH3+])CCC[NH+](C)C)CN1 ZINC001246276958 825659569 /nfs/dbraw/zinc/65/95/69/825659569.db2.gz FSFZTTYQUROVEB-STQMWFEESA-N 2 0 286.420 -0.508 20 0 CBADRP Cc1c(CC[NH3+])c(=O)[nH]n1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246286848 825660657 /nfs/dbraw/zinc/66/06/57/825660657.db2.gz DXGVROFHKYARED-JTQLQIEISA-N 2 0 265.361 -0.335 20 0 CBADRP C[C@H]([NH3+])CCN[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246303970 825661897 /nfs/dbraw/zinc/66/18/97/825661897.db2.gz KQQXHTPTGHQXRX-AXFHLTTASA-N 2 0 272.418 -0.423 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246300588 825661964 /nfs/dbraw/zinc/66/19/64/825661964.db2.gz SBGWDVZHZSQQOR-NNYUYHANSA-N 2 0 255.362 -0.132 20 0 CBADRP C[C@H]([NH3+])CCN[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246303977 825662283 /nfs/dbraw/zinc/66/22/83/825662283.db2.gz KQQXHTPTGHQXRX-DCAQKATOSA-N 2 0 272.418 -0.423 20 0 CBADRP COC(=O)C1C[C@@H]2CC(N[C@H]3C[NH2+]C[C@@H]3CO)C[C@H](C1)[NH2+]2 ZINC001246302044 825662403 /nfs/dbraw/zinc/66/24/03/825662403.db2.gz ZYPIBWRJLHQXEP-UQZYOTNSSA-N 2 0 297.399 -0.772 20 0 CBADRP COC(=O)[C@H](N[C@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001246326225 825664404 /nfs/dbraw/zinc/66/44/04/825664404.db2.gz DJJJYBJMESWUIY-NWDGAFQWSA-N 2 0 255.362 -0.131 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1CCC[C@H]1N1CCOCC1)CCN2 ZINC001246338144 825666518 /nfs/dbraw/zinc/66/65/18/825666518.db2.gz XJQNBFLIDCAOMQ-SOUVJXGZSA-N 2 0 294.443 -0.077 20 0 CBADRP CCOC(=O)[C@@H]1CCOC[C@@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246368399 825668732 /nfs/dbraw/zinc/66/87/32/825668732.db2.gz BYOHQDPEMTUSMF-XQQFMLRXSA-N 2 0 297.399 -0.362 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CCOCCN2C(=O)C=CC2=O)CC[NH2+]1 ZINC001246357561 825669010 /nfs/dbraw/zinc/66/90/10/825669010.db2.gz VYFUZGMEYMNIRO-RYUDHWBXSA-N 2 0 281.356 -0.342 20 0 CBADRP COC(=O)CC1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246361272 825669480 /nfs/dbraw/zinc/66/94/80/825669480.db2.gz BUSOKRBQCJHCRA-GFCCVEGCSA-N 3 0 296.415 -0.645 20 0 CBADRP CNC(=O)N1CCC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246359923 825669556 /nfs/dbraw/zinc/66/95/56/825669556.db2.gz PVNWNOHBRPHRKY-GFCCVEGCSA-N 2 0 281.404 -0.526 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@H]1C[C@@H]3COC[C@H](C1)N3)CCN2 ZINC001246389032 825670310 /nfs/dbraw/zinc/67/03/10/825670310.db2.gz JCKWTFTYZNLKSG-FVCCEPFGSA-N 2 0 266.389 -0.811 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+]C1C[C@@H]2COC[C@H](C1)N2 ZINC001246413015 825671496 /nfs/dbraw/zinc/67/14/96/825671496.db2.gz DYUJVIKZCFGOBS-YATPEIPISA-N 2 0 270.377 -0.922 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)CC1=O ZINC001246420714 825672386 /nfs/dbraw/zinc/67/23/86/825672386.db2.gz ZHYSUQYRDHHFRW-MNOVXSKESA-N 2 0 270.377 -0.430 20 0 CBADRP CCOC(=O)[C@H](N)C[NH2+]C1CCC2(CC1)C[NH2+]CCO2 ZINC001246418897 825672655 /nfs/dbraw/zinc/67/26/55/825672655.db2.gz SMNRAFZKMUIQEN-MBHSVXNSSA-N 2 0 285.388 -0.232 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246415731 825672963 /nfs/dbraw/zinc/67/29/63/825672963.db2.gz KCBJZLVWAYSFEV-QCNOEVLYSA-N 3 0 254.378 -0.158 20 0 CBADRP NC(=O)[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246455406 825674880 /nfs/dbraw/zinc/67/48/80/825674880.db2.gz WXMYVRJEDXXCBA-QWHCGFSZSA-N 2 0 274.368 -0.103 20 0 CBADRP CCCC[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246458202 825675141 /nfs/dbraw/zinc/67/51/41/825675141.db2.gz UAPDWLWTPCUUDZ-MNOVXSKESA-N 2 0 254.378 -0.286 20 0 CBADRP CS(=O)(=O)N1CCC([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246477887 825676571 /nfs/dbraw/zinc/67/65/71/825676571.db2.gz RGHWZETZFAYRSC-JQWIXIFHSA-N 2 0 293.408 -0.052 20 0 CBADRP COC(=O)[C@H](N[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC001246498464 825677345 /nfs/dbraw/zinc/67/73/45/825677345.db2.gz RPBLJGWWIVTLSW-IRCOFANPSA-N 2 0 255.362 -0.132 20 0 CBADRP COC(=O)[C@H](N[C@@H]1CC[C@H](C)[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC001246497930 825677405 /nfs/dbraw/zinc/67/74/05/825677405.db2.gz OZVQMXRCBWGMAP-NNYUYHANSA-N 2 0 255.362 -0.132 20 0 CBADRP CC1(C)C(=O)NC[C@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246494547 825677464 /nfs/dbraw/zinc/67/74/64/825677464.db2.gz HKRNAAOHVPDJLE-NXEZZACHSA-N 2 0 252.362 -0.805 20 0 CBADRP O=C1CCC[C@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)N1 ZINC001246504498 825677680 /nfs/dbraw/zinc/67/76/80/825677680.db2.gz BNGFFVIRSJGTBT-GHMZBOCLSA-N 2 0 252.362 -0.661 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCNC(=O)C1 ZINC001246514086 825678165 /nfs/dbraw/zinc/67/81/65/825678165.db2.gz YUCSSRPVERCRKK-ZJUUUORDSA-N 2 0 256.350 -0.902 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246514096 825678381 /nfs/dbraw/zinc/67/83/81/825678381.db2.gz YZVMDALLBWVSHD-TUAOUCFPSA-N 2 0 256.394 -0.040 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246510020 825678747 /nfs/dbraw/zinc/67/87/47/825678747.db2.gz BIMZUWHIGMURQQ-RYUDHWBXSA-N 3 0 284.404 -0.659 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H](C(C)C)C2C[NH2+]C2)CN1 ZINC001246513303 825678863 /nfs/dbraw/zinc/67/88/63/825678863.db2.gz CLYRBHIMMUHLHI-GRYCIOLGSA-N 2 0 255.362 -0.277 20 0 CBADRP O=C1CCC[C@@H](C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)N1 ZINC001246504500 825679050 /nfs/dbraw/zinc/67/90/50/825679050.db2.gz BNGFFVIRSJGTBT-QWRGUYRKSA-N 2 0 252.362 -0.661 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H](C2CCC2)C2C[NH2+]C2)CN1 ZINC001246513334 825679084 /nfs/dbraw/zinc/67/90/84/825679084.db2.gz CURKNEFFSFKDAG-AVGNSLFASA-N 2 0 267.373 -0.132 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@H](C2CCC2)C2C[NH2+]C2)CN1 ZINC001246513336 825679158 /nfs/dbraw/zinc/67/91/58/825679158.db2.gz CURKNEFFSFKDAG-RWMBFGLXSA-N 2 0 267.373 -0.132 20 0 CBADRP C[C@@H]1C[C@H](n2cnc(C[C@H]([NH3+])C(N)=O)c2)CC[NH2+]1 ZINC001246525004 825679578 /nfs/dbraw/zinc/67/95/78/825679578.db2.gz QTHGFJZEBWOVAA-IEBDPFPHSA-N 2 0 251.334 -0.449 20 0 CBADRP CC(C)[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C1C[NH2+]C1 ZINC001246520077 825679842 /nfs/dbraw/zinc/67/98/42/825679842.db2.gz UVKNNFLATIHVDE-OLZOCXBDSA-N 3 0 252.406 -0.086 20 0 CBADRP [NH2+]=C(N[C@H]1CCNC2(C[NH2+]C2)C1)n1nnc2ccccc21 ZINC001246522330 825680125 /nfs/dbraw/zinc/68/01/25/825680125.db2.gz CHAKGDKYMPNSEP-JTQLQIEISA-N 2 0 285.355 -0.102 20 0 CBADRP C[C@]1([NH3+])CCN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C1 ZINC001246526340 825681635 /nfs/dbraw/zinc/68/16/35/825681635.db2.gz ASTAULIGYMPAHK-MDZLAQPJSA-N 2 0 284.429 -0.327 20 0 CBADRP FC1CN(C2C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246534112 825681876 /nfs/dbraw/zinc/68/18/76/825681876.db2.gz GPKZMDCHMBRHFP-NSHDSACASA-N 2 0 254.353 -0.582 20 0 CBADRP [NH3+]CC[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246528590 825682000 /nfs/dbraw/zinc/68/20/00/825682000.db2.gz AJNOMPVVCHAYPY-NWDGAFQWSA-N 3 0 254.378 -0.870 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH+]1CCN([C@@H]3CCOC3)CC1)CCN2 ZINC001246537962 825683341 /nfs/dbraw/zinc/68/33/41/825683341.db2.gz LRUDXLLPZLEHSC-ZIAGYGMSSA-N 2 0 280.416 -0.513 20 0 CBADRP [NH3+]CC1CCN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC1 ZINC001246537706 825683491 /nfs/dbraw/zinc/68/34/91/825683491.db2.gz KKLDZCVFKIXRLT-OLZOCXBDSA-N 2 0 298.456 -0.080 20 0 CBADRP CO[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1OC ZINC001246553774 825685212 /nfs/dbraw/zinc/68/52/12/825685212.db2.gz UOIBYLXYCORYFC-SDDRHHMPSA-N 2 0 255.362 -0.574 20 0 CBADRP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246565212 825686286 /nfs/dbraw/zinc/68/62/86/825686286.db2.gz YLHLVUOKESFUGK-UKRRQHHQSA-N 2 0 299.415 -0.201 20 0 CBADRP [NH3+][C@@H]1CN(C2CCC([NH+]3CCOCC3)CC2)C[C@H]1O ZINC001246558200 825686670 /nfs/dbraw/zinc/68/66/70/825686670.db2.gz PBSXQVBQWBJPQW-NWINJMCUSA-N 2 0 269.389 -0.366 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)CCN1 ZINC001246562520 825686818 /nfs/dbraw/zinc/68/68/18/825686818.db2.gz STAFYXHHUWIFLU-OBJOEFQTSA-N 2 0 285.388 -0.544 20 0 CBADRP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCN(C3CC3)C(=O)C2)C[C@H]1O ZINC001246568994 825687602 /nfs/dbraw/zinc/68/76/02/825687602.db2.gz PFVAJTHCYPLBRK-IJLUTSLNSA-N 2 0 253.346 -0.466 20 0 CBADRP COCCC[NH+]1CCC(N2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246567700 825687647 /nfs/dbraw/zinc/68/76/47/825687647.db2.gz MPDUNFBVYPWJJV-ZIAGYGMSSA-N 2 0 271.405 -0.119 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCN[C@@H](C(F)(F)F)C2)C[C@H]1O ZINC001246578636 825688678 /nfs/dbraw/zinc/68/86/78/825688678.db2.gz GWDRFIFFBDSFBG-AXTSPUMRSA-N 2 0 267.295 -0.079 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCN[C@H](C(F)(F)F)C2)C[C@H]1O ZINC001246578640 825689133 /nfs/dbraw/zinc/68/91/33/825689133.db2.gz GWDRFIFFBDSFBG-QEYWKRMJSA-N 2 0 267.295 -0.079 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCCC3(C2)OCCO3)C[C@H]1O ZINC001246579365 825689296 /nfs/dbraw/zinc/68/92/96/825689296.db2.gz IVBRGOJGVBYKQL-SDDRHHMPSA-N 2 0 256.346 -0.077 20 0 CBADRP COC(=O)C1CCC([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246578651 825689653 /nfs/dbraw/zinc/68/96/53/825689653.db2.gz GWODAWRIBKAYHL-ADPBJBESSA-N 2 0 256.346 -0.030 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCN[C@@H](C(F)(F)F)C2)C[C@@H]1O ZINC001246582539 825690505 /nfs/dbraw/zinc/69/05/05/825690505.db2.gz GWDRFIFFBDSFBG-QCLAVDOMSA-N 2 0 267.295 -0.079 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCN3C(=O)CC[C@@H]3C2)C[C@@H]1O ZINC001246583173 825690533 /nfs/dbraw/zinc/69/05/33/825690533.db2.gz ILHKFOFJUJUYTE-YFKTTZPYSA-N 2 0 253.346 -0.609 20 0 CBADRP CCN(CC)C(=O)C[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246586196 825691140 /nfs/dbraw/zinc/69/11/40/825691140.db2.gz RMOLEUWBMQXPBJ-WOPDTQHZSA-N 2 0 257.378 -0.115 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCN3CCOC[C@@H]3C1)CCN2 ZINC001246595642 825692570 /nfs/dbraw/zinc/69/25/70/825692570.db2.gz OYKKWYUVXUJSQB-STQMWFEESA-N 2 0 266.389 -0.903 20 0 CBADRP C[C@]1(CO)CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1O ZINC001246589379 825692881 /nfs/dbraw/zinc/69/28/81/825692881.db2.gz CSSVMCZBHLVMLW-YNEHKIRRSA-N 2 0 269.389 -0.854 20 0 CBADRP C1C[NH2+]C[C@@H](N2CCOC[C@@]3(C[NH2+]CCO3)C2)C1 ZINC001246603046 825694157 /nfs/dbraw/zinc/69/41/57/825694157.db2.gz LYMGSETVTBUSTE-QWHCGFSZSA-N 2 0 255.362 -0.571 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H](N2CCOC3(CC[NH2+]CC3)C2)CN1 ZINC001246603765 825694174 /nfs/dbraw/zinc/69/41/74/825694174.db2.gz MEYMNQRIZUAABC-OLZOCXBDSA-N 2 0 297.399 -0.266 20 0 CBADRP O=S1CC2(C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246617803 825695693 /nfs/dbraw/zinc/69/56/93/825695693.db2.gz ZLVDBFKQOGVYGE-JTQLQIEISA-N 2 0 255.387 -0.855 20 0 CBADRP C[C@@H]1C[C@@H](N2CC(=O)NC[C@]23CC[NH2+]C3)CC[NH2+]1 ZINC001246622337 825696575 /nfs/dbraw/zinc/69/65/75/825696575.db2.gz QMFMOPJTCDKLJS-NTZNESFSSA-N 2 0 252.362 -0.709 20 0 CBADRP C1C[NH2+]C[C@@H](N2CCO[C@]3(C2)C[NH2+]CCOC3)C1 ZINC001246623628 825696599 /nfs/dbraw/zinc/69/65/99/825696599.db2.gz BCCXKLZXNBNQME-STQMWFEESA-N 2 0 255.362 -0.571 20 0 CBADRP C1C[C@]2(C[NH2+]1)CNCCN2[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246625255 825696729 /nfs/dbraw/zinc/69/67/29/825696729.db2.gz QFELOTOAVPKQLW-CRWXNKLISA-N 2 0 250.390 -0.093 20 0 CBADRP C[C@H]1CC[C@H](N2CC(=O)NC3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246623156 825697139 /nfs/dbraw/zinc/69/71/39/825697139.db2.gz BFTPEPIMAYEOGR-RYUDHWBXSA-N 2 0 266.389 -0.319 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CN1 ZINC001246623565 825697275 /nfs/dbraw/zinc/69/72/75/825697275.db2.gz AKGZSALFGSGWLA-XQHKEYJVSA-N 2 0 267.373 -0.179 20 0 CBADRP C[C@@H]1C[C@@H](N2CC(=O)NC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246626578 825697898 /nfs/dbraw/zinc/69/78/98/825697898.db2.gz JUWJVZFNOXYCMV-NEPJUHHUSA-N 2 0 266.389 -0.319 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CC[NH2+]C[C@]3(CCCCN3)C1)CCN2 ZINC001246631887 825698398 /nfs/dbraw/zinc/69/83/98/825698398.db2.gz UTLVAMGJLMLGMB-HUUCEWRRSA-N 2 0 293.459 -0.502 20 0 CBADRP C[C@@H]1CC[C@@H](N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)C[NH2+]1 ZINC001246628743 825698423 /nfs/dbraw/zinc/69/84/23/825698423.db2.gz OTJQJWPNDAJELW-JMSVASOKSA-N 2 0 278.400 -0.462 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CC[NH2+]C[C@@]3(CCCCN3)C1)CCN2 ZINC001246631884 825698444 /nfs/dbraw/zinc/69/84/44/825698444.db2.gz UTLVAMGJLMLGMB-CABCVRRESA-N 2 0 293.459 -0.502 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@@]3(CC[NH2+]C3)C1)CCN2 ZINC001246629691 825698520 /nfs/dbraw/zinc/69/85/20/825698520.db2.gz HHPOZHQIEWBHLZ-QWHCGFSZSA-N 3 0 250.390 -0.234 20 0 CBADRP C1[NH2+]CC12CC[C@@H]([N@@H+]1CCN[C@]3(CC[NH2+]C3)C1)C2 ZINC001246641469 825700627 /nfs/dbraw/zinc/70/06/27/825700627.db2.gz IIWRWDBWRBYZEY-OCCSQVGLSA-N 3 0 250.390 -0.234 20 0 CBADRP C1C[C@@]2(C[NH2+]1)CN([C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CCN2 ZINC001246638749 825700812 /nfs/dbraw/zinc/70/08/12/825700812.db2.gz CUORCBFVPVUYMV-ZOBORPQBSA-N 2 0 250.390 -0.093 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCOC[C@@]3(CCC[NH2+]C3)C1)CCN2 ZINC001246645373 825702951 /nfs/dbraw/zinc/70/29/51/825702951.db2.gz KOSVQMLBVASUNC-HUUCEWRRSA-N 3 0 294.443 -0.218 20 0 CBADRP CCOC(=O)[C@H]1C[C@@H]2C[N@@H+](C3CC[NH2+]CC3)C[C@@H]2N1 ZINC001246659399 825703833 /nfs/dbraw/zinc/70/38/33/825703833.db2.gz DKAINCNKDPMFJM-RTXFEEFZSA-N 2 0 267.373 -0.036 20 0 CBADRP OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@H+]2[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246662030 825704102 /nfs/dbraw/zinc/70/41/02/825704102.db2.gz VGTCZIKUTNKBRM-FQUUOJAGSA-N 2 0 281.400 -0.448 20 0 CBADRP C1CC(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)CC[NH2+]1 ZINC001246667570 825705369 /nfs/dbraw/zinc/70/53/69/825705369.db2.gz LFBWDOXXTVPADY-AWEZNQCLSA-N 2 0 269.389 -0.181 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCN2 ZINC001246663958 825705408 /nfs/dbraw/zinc/70/54/08/825705408.db2.gz CZVGFPIHUDYZDI-UPJWGTAASA-N 2 0 250.390 -0.378 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CCO[C@H]3CC[NH2+]C[C@@H]31)CCN2 ZINC001246664072 825705489 /nfs/dbraw/zinc/70/54/89/825705489.db2.gz OLLNVYLPSHHXSF-AVGNSLFASA-N 2 0 266.389 -0.857 20 0 CBADRP O=C1COCC2(CC[NH+](C3CC[NH2+]CC3)CC2)N1 ZINC001246671314 825705578 /nfs/dbraw/zinc/70/55/78/825705578.db2.gz ZIOKQFORSJUXCH-UHFFFAOYSA-N 2 0 253.346 -0.281 20 0 CBADRP C1[NH2+]CC1[C@@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246678946 825706944 /nfs/dbraw/zinc/70/69/44/825706944.db2.gz OSSCIACOTOONED-DGCLKSJQSA-N 3 0 250.390 -0.378 20 0 CBADRP CNC(=O)CN1CCO[C@H]2C[N@@H+]([C@H]3CC[NH2+][C@H](C)C3)C[C@H]21 ZINC001246730390 825707323 /nfs/dbraw/zinc/70/73/23/825707323.db2.gz KGBNYCFEIWTTDZ-RQJABVFESA-N 2 0 296.415 -0.742 20 0 CBADRP CCN1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246756779 825709585 /nfs/dbraw/zinc/70/95/85/825709585.db2.gz XRUMTVWPFVAVBN-RRFJBIMHSA-N 2 0 294.443 -0.267 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](C[NH3+])C2)CN1 ZINC001246779695 825710511 /nfs/dbraw/zinc/71/05/11/825710511.db2.gz IOJSCPRYMSYADB-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP CC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246786838 825710582 /nfs/dbraw/zinc/71/05/82/825710582.db2.gz ARMRKOXZYYDGGD-QWHCGFSZSA-N 2 0 266.389 -0.319 20 0 CBADRP CC[C@@H]1C[NH2+]CCN1[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246796381 825711864 /nfs/dbraw/zinc/71/18/64/825711864.db2.gz AHESQZNLCORYRL-AGIUHOORSA-N 2 0 298.456 -0.066 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@H](N3CCOCC3)C1)CCN2 ZINC001246795831 825712005 /nfs/dbraw/zinc/71/20/05/825712005.db2.gz KKEJWKWFVZASBK-KGLIPLIRSA-N 2 0 280.416 -0.513 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH+]1CC(N3CCOCC3)C1)CCN2 ZINC001246796879 825712100 /nfs/dbraw/zinc/71/21/00/825712100.db2.gz MDGZUJSFIDLOKY-GFCCVEGCSA-N 2 0 266.389 -0.903 20 0 CBADRP CC[C@H]1CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]1 ZINC001246803847 825713801 /nfs/dbraw/zinc/71/38/01/825713801.db2.gz NETKCLBZBUQMNB-XQQFMLRXSA-N 2 0 298.456 -0.066 20 0 CBADRP CCOC(=O)[C@@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246817314 825714930 /nfs/dbraw/zinc/71/49/30/825714930.db2.gz RDFLQHQBVCYUAW-NEPJUHHUSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[C@@H]1C[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)CC[NH2+]1 ZINC001246818870 825716090 /nfs/dbraw/zinc/71/60/90/825716090.db2.gz FACIXXFTDWQLCI-HUUCEWRRSA-N 3 0 283.464 -0.399 20 0 CBADRP C1[C@@H]2C[C@@H]([NH+]3CCNCC[NH2+]CCNCC3)C[C@H]12 ZINC001246820608 825716271 /nfs/dbraw/zinc/71/62/71/825716271.db2.gz KEMNNIVLBGEQDH-BTTYYORXSA-N 2 0 252.406 -0.131 20 0 CBADRP C1[NH2+]CC12CC[C@@H]([NH+]1CCNCC[NH2+]CCNCC1)C2 ZINC001246819709 825716410 /nfs/dbraw/zinc/71/64/10/825716410.db2.gz HUTFILYYQBAYQU-CQSZACIVSA-N 3 0 281.448 -0.787 20 0 CBADRP C[C@H]1C[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)CC[NH2+]1 ZINC001246819059 825716671 /nfs/dbraw/zinc/71/66/71/825716671.db2.gz FVHABXOOGAAGOF-KBPBESRZSA-N 3 0 269.437 -0.789 20 0 CBADRP C1[NH2+]C[C@H]2C[C@@H]([NH+]3CCNCC[NH2+]CCNCC3)C[C@@H]12 ZINC001246824534 825717538 /nfs/dbraw/zinc/71/75/38/825717538.db2.gz YQVOZGTYUDSVNO-QDMKHBRRSA-N 3 0 281.448 -0.931 20 0 CBADRP C1C[NH2+]CC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246823263 825717552 /nfs/dbraw/zinc/71/75/52/825717552.db2.gz UVRKMGGQKMWXCQ-AWEZNQCLSA-N 3 0 269.437 -0.787 20 0 CBADRP C[C@@H]1C[C@H]([NH+]2CCNCC[NH2+]CCNCC2)CCO1 ZINC001246822894 825718103 /nfs/dbraw/zinc/71/81/03/825718103.db2.gz TVUJURUXNQIBNU-ZIAGYGMSSA-N 2 0 270.421 -0.362 20 0 CBADRP [NH3+][C@@H]1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1(F)F ZINC001246837518 825719210 /nfs/dbraw/zinc/71/92/10/825719210.db2.gz QBPXWJZFSBDUCF-NXEZZACHSA-N 2 0 260.332 -0.251 20 0 CBADRP C[N@H+](C1CCS(=O)(=O)CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246844171 825720396 /nfs/dbraw/zinc/72/03/96/825720396.db2.gz GNGBGFUZGOXGTG-LBPRGKRZSA-N 2 0 287.429 -0.411 20 0 CBADRP C[N@H+](CCN1CC[NH+](C)CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246851660 825721036 /nfs/dbraw/zinc/72/10/36/825721036.db2.gz ZNDRJFJJGZQOIL-AWEZNQCLSA-N 3 0 281.448 -0.740 20 0 CBADRP COC(=O)[C@@H]1CC[C@H](N2C[C@@H]3CC[C@@]3([NH3+])C2)CN1 ZINC001246855943 825722134 /nfs/dbraw/zinc/72/21/34/825722134.db2.gz WEUDLJDDRIGEGW-MRBYEJRBSA-N 2 0 253.346 -0.297 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246856477 825722241 /nfs/dbraw/zinc/72/22/41/825722241.db2.gz BJRJZFOMOSDWMY-FOGDFJRCSA-N 2 0 255.362 -0.038 20 0 CBADRP [NH3+][C@]12CC[C@@H]1CN([C@@H]1C[NH2+][C@H](C(=O)N3CCSC3)C1)C2 ZINC001246854599 825722637 /nfs/dbraw/zinc/72/26/37/825722637.db2.gz QHQXNKWAYZPKHT-UHXUPSOCSA-N 2 0 296.440 -0.327 20 0 CBADRP CC(=O)N1CCC[C@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246858806 825722698 /nfs/dbraw/zinc/72/26/98/825722698.db2.gz IHBXOGPNRJCLBR-WJLOJVBCSA-N 2 0 267.373 -0.097 20 0 CBADRP CC(=O)N1CC[C@@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246858880 825723144 /nfs/dbraw/zinc/72/31/44/825723144.db2.gz IYEOYOCYAMJBDG-DAAZQVBGSA-N 2 0 253.346 -0.487 20 0 CBADRP O=C([C@@H]1C[C@H](N(C2CC2)C2C[NH2+]C2)C[NH2+]1)N1CCSC1 ZINC001246861635 825723555 /nfs/dbraw/zinc/72/35/55/825723555.db2.gz CRNVRKJWYVSVFH-AAEUAGOBSA-N 2 0 296.440 -0.314 20 0 CBADRP FC(F)CN1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246863630 825724627 /nfs/dbraw/zinc/72/46/27/825724627.db2.gz MVOQXEQGKWFBGB-NSHDSACASA-N 2 0 274.359 -0.037 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CCN1 ZINC001246862252 825724640 /nfs/dbraw/zinc/72/46/40/825724640.db2.gz QNFPYPGIGSAWGL-SRRSOLGSSA-N 2 0 253.346 -0.297 20 0 CBADRP C1[NH2+]CC12C[C@H](N1C[C@H]3CC[C@@H](C1)[NH2+]C3)CCN2 ZINC001246866362 825725796 /nfs/dbraw/zinc/72/57/96/825725796.db2.gz JNGIMFPXKJNWQF-RWMBFGLXSA-N 2 0 250.390 -0.236 20 0 CBADRP O=C1COC2(CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)CN1 ZINC001246881736 825727246 /nfs/dbraw/zinc/72/72/46/825727246.db2.gz VVYHTOROUOJXLW-GFCCVEGCSA-N 2 0 294.399 -0.939 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH+]1CCC(N3CC[NH2+]CC3)CC1)CCN2 ZINC001246887935 825727256 /nfs/dbraw/zinc/72/72/56/825727256.db2.gz RAKLWVJAUMRYOS-HNNXBMFYSA-N 3 0 293.459 -0.550 20 0 CBADRP c1cnc(N(C2C[NH2+]C2)[C@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246876790 825727374 /nfs/dbraw/zinc/72/73/74/825727374.db2.gz MKYUKXCORRDNKK-NSHDSACASA-N 2 0 274.372 -0.651 20 0 CBADRP CC(=O)N1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1C ZINC001246887178 825727377 /nfs/dbraw/zinc/72/73/77/825727377.db2.gz JQYXWCFVVGUOAE-AAEUAGOBSA-N 2 0 266.389 -0.367 20 0 CBADRP O=c1[nH]n([C@@H]2CCNC3(C[NH2+]C3)C2)c2c1C[NH2+]CC2 ZINC001246889688 825727511 /nfs/dbraw/zinc/72/75/11/825727511.db2.gz YGRAQPIHYWDFCB-SECBINFHSA-N 2 0 263.345 -0.499 20 0 CBADRP OC1([C@H]2CCCC[NH2+]2)CN([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246900751 825728763 /nfs/dbraw/zinc/72/87/63/825728763.db2.gz TZERYZUSLYCXQS-QWHCGFSZSA-N 2 0 280.416 -0.731 20 0 CBADRP CNC(=O)N1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246894655 825729087 /nfs/dbraw/zinc/72/90/87/825729087.db2.gz ORYSVCNKOFXPBW-NSHDSACASA-N 2 0 267.377 -0.963 20 0 CBADRP COC(=O)C1C[C@@H]2CC([N@H+](C)CCO)C[C@H](C1)[NH2+]2 ZINC001246910682 825730284 /nfs/dbraw/zinc/73/02/84/825730284.db2.gz BPYFIGFPIFAUST-WSVSKBAQSA-N 2 0 256.346 -0.017 20 0 CBADRP COC(=O)[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCCO1 ZINC001246912081 825730370 /nfs/dbraw/zinc/73/03/70/825730370.db2.gz QGDDKBWBSXKCHC-RYUDHWBXSA-N 2 0 283.372 -0.656 20 0 CBADRP CC(=O)N(C)[C@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246920224 825731084 /nfs/dbraw/zinc/73/10/84/825731084.db2.gz DCJWEIYOWHVNGN-OLZOCXBDSA-N 2 0 266.389 -0.367 20 0 CBADRP O=C1NCC2(CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)N1 ZINC001246920854 825731595 /nfs/dbraw/zinc/73/15/95/825731595.db2.gz SUPGVTJZNJODRH-NSHDSACASA-N 2 0 279.388 -0.772 20 0 CBADRP CC1(C)C[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CC[NH2+]1 ZINC001246924169 825731789 /nfs/dbraw/zinc/73/17/89/825731789.db2.gz GSTAYQCCUAIKHG-CYBMUJFWSA-N 3 0 299.463 -0.367 20 0 CBADRP COC(=O)[C@@H]1CN([C@H]2CCC[N@H+](C)CC2)C[C@H]1[NH3+] ZINC001246928883 825732441 /nfs/dbraw/zinc/73/24/41/825732441.db2.gz BFSSARMLGSAPFT-QJPTWQEYSA-N 2 0 255.362 -0.097 20 0 CBADRP COC(=O)[C@@H]1CN([C@@H]2CC3CC[NH+](CC3)C2)C[C@H]1[NH3+] ZINC001246929909 825732855 /nfs/dbraw/zinc/73/28/55/825732855.db2.gz IOBAUZRVNOIQKE-JHJVBQTASA-N 2 0 267.373 -0.097 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CN1 ZINC001246929855 825733164 /nfs/dbraw/zinc/73/31/64/825733164.db2.gz HLGJXIFZKAZSMQ-RNJOBUHISA-N 2 0 267.373 -0.179 20 0 CBADRP COC(=O)[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1[NH3+] ZINC001246931819 825733843 /nfs/dbraw/zinc/73/38/43/825733843.db2.gz OGVXKPZKBPNTBT-RTWBTXMESA-N 2 0 253.346 -0.299 20 0 CBADRP COC(=O)[C@@H]1CN([C@H]2CC[NH2+]C(C)(C)C2)C[C@@H]1[NH3+] ZINC001246932618 825734128 /nfs/dbraw/zinc/73/41/28/825734128.db2.gz QMIBLNRRUVVDBG-AXFHLTTASA-N 2 0 255.362 -0.051 20 0 CBADRP COC(=O)[C@@H]1CN(C2C[C@@H](C)[NH2+][C@H](C)C2)C[C@@H]1[NH3+] ZINC001246938653 825734695 /nfs/dbraw/zinc/73/46/95/825734695.db2.gz PWTIIMOGHLAZQC-IQIPOGNMSA-N 2 0 255.362 -0.053 20 0 CBADRP c1ncnc(N2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)n1 ZINC001246950910 825735235 /nfs/dbraw/zinc/73/52/35/825735235.db2.gz XIACLZPYOGGRQQ-GFCCVEGCSA-N 2 0 289.387 -0.912 20 0 CBADRP COC(=O)[C@H]1CN([C@@H]2CC[NH2+][C@@H](C)C2)CC[C@@H]1[NH3+] ZINC001246947192 825735798 /nfs/dbraw/zinc/73/57/98/825735798.db2.gz JJVSZMAPQIWQTO-USZNOCQGSA-N 2 0 255.362 -0.051 20 0 CBADRP COC(=O)C[C@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246965411 825736864 /nfs/dbraw/zinc/73/68/64/825736864.db2.gz HUVXRXISEUKXQB-NEPJUHHUSA-N 2 0 267.373 -0.035 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CN1 ZINC001246972388 825736973 /nfs/dbraw/zinc/73/69/73/825736973.db2.gz DQBYMEHLUWVCRZ-YYHQMBLXSA-N 2 0 267.373 -0.051 20 0 CBADRP [NH3+][C@@H]1CCN(C2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246964301 825737529 /nfs/dbraw/zinc/73/75/29/825737529.db2.gz CFHOCROKCOBPTJ-UKRRQHHQSA-N 3 0 293.459 -0.422 20 0 CBADRP CCNC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246979551 825737656 /nfs/dbraw/zinc/73/76/56/825737656.db2.gz ZIERYPZJVFYPGI-RYUDHWBXSA-N 2 0 266.389 -0.319 20 0 CBADRP COC(=O)[C@@H]1C[C@H](N2CC[C@H]([NH+]3CCC([NH3+])CC3)C2)CN1 ZINC001246977761 825737738 /nfs/dbraw/zinc/73/77/38/825737738.db2.gz QUXSWNLSRQEWPJ-IHRRRGAJSA-N 2 0 296.415 -0.613 20 0 CBADRP C([C@H]1CN([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1)[NH+]1CCCC1 ZINC001246978068 825738153 /nfs/dbraw/zinc/73/81/53/825738153.db2.gz IXSBOCPYDATFCT-CABCVRRESA-N 2 0 294.443 -0.123 20 0 CBADRP C[C@@H]1CN(C2C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C[C@H](C)O1 ZINC001246985998 825739165 /nfs/dbraw/zinc/73/91/65/825739165.db2.gz DNTHAUJZNMWDSN-HZSPNIEDSA-N 2 0 294.443 -0.126 20 0 CBADRP COC(=O)[C@H]1C[C@H](N(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)CN1 ZINC001246985865 825739280 /nfs/dbraw/zinc/73/92/80/825739280.db2.gz LEODHSUPEVRXJT-MELADBBJSA-N 2 0 298.431 -0.495 20 0 CBADRP CO[C@H]1C[NH2+]C[C@@H]1N(C)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246987724 825739544 /nfs/dbraw/zinc/73/95/44/825739544.db2.gz OCSGBNFMMKLHAI-VWYCJHECSA-N 2 0 257.403 -0.248 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@]3(C1)CNCCO3)CCN2 ZINC001246990643 825739978 /nfs/dbraw/zinc/73/99/78/825739978.db2.gz XAYUKFGOTBRJQB-GXTWGEPZSA-N 2 0 266.389 -0.855 20 0 CBADRP CC(C)(O)CN1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001247000882 825740099 /nfs/dbraw/zinc/74/00/99/825740099.db2.gz XIEZUXTXWBJLMZ-ZDUSSCGKSA-N 2 0 282.432 -0.531 20 0 CBADRP CC(C)(O)CN1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001247000873 825741071 /nfs/dbraw/zinc/74/10/71/825741071.db2.gz XIEZUXTXWBJLMZ-CYBMUJFWSA-N 2 0 282.432 -0.531 20 0 CBADRP [NH3+]C[C@@H]1CC(F)(F)CN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246994492 825741345 /nfs/dbraw/zinc/74/13/45/825741345.db2.gz XFJXWBYOMBWXDC-ZJUUUORDSA-N 2 0 260.332 -0.251 20 0 CBADRP COC(=O)[C@]1(C)CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001247001854 825741905 /nfs/dbraw/zinc/74/19/05/825741905.db2.gz MBBOISBJLAMGQG-DGCLKSJQSA-N 2 0 267.373 -0.035 20 0 CBADRP COCCOC1C[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001247004206 825743207 /nfs/dbraw/zinc/74/32/07/825743207.db2.gz ZUEVMLJJGQDQAM-NSHDSACASA-N 2 0 255.362 -0.572 20 0 CBADRP CN1CCO[C@H](CNC(=S)NCC[NH+](C)C)C1 ZINC001249843881 825749732 /nfs/dbraw/zinc/74/97/32/825749732.db2.gz YYLJFKPSPSTSCM-SNVBAGLBSA-N 2 0 260.407 -0.657 20 0 CBADRP C[NH+]1CCN(C2CC[NH+](C[C@H](O)CO)CC2)CC1 ZINC001252059632 825821755 /nfs/dbraw/zinc/82/17/55/825821755.db2.gz FSWMRRPPIZILED-ZDUSSCGKSA-N 2 0 257.378 -0.949 20 0 CBADRP C[N@H+](C1CCOCC1)C1CCN(C[C@H](O)CO)CC1 ZINC001252061517 825824306 /nfs/dbraw/zinc/82/43/06/825824306.db2.gz LOBAJKHEAZUYNB-AWEZNQCLSA-N 2 0 272.389 -0.085 20 0 CBADRP COC(=O)[C@@H](O)CN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001252423138 825852079 /nfs/dbraw/zinc/85/20/79/825852079.db2.gz PCPSWBUPWJXCCC-AWEZNQCLSA-N 2 0 299.415 -0.520 20 0 CBADRP COC(=O)[C@@H](O)C[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001252440442 825858979 /nfs/dbraw/zinc/85/89/79/825858979.db2.gz ORCSDLGLJSFGEP-LBPRGKRZSA-N 2 0 273.377 -0.864 20 0 CBADRP C[NH+]1CCN(CC[NH2+]C[C@H](O)COCc2ccco2)CC1 ZINC001252652871 825878550 /nfs/dbraw/zinc/87/85/50/825878550.db2.gz XBVBESVWLBNABT-AWEZNQCLSA-N 2 0 297.399 -0.006 20 0 CBADRP C[N@@H+]1CCCN(CC[NH2+]CC2(O)CCOCC2)CC1 ZINC001252974154 825897669 /nfs/dbraw/zinc/89/76/69/825897669.db2.gz RNBGMTCCWVJDIG-UHFFFAOYSA-N 2 0 271.405 -0.245 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1CCN(C)C(=O)C1 ZINC001253202915 825904094 /nfs/dbraw/zinc/90/40/94/825904094.db2.gz CCXIWJOJESFVFF-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[NH+](CC)C[C@H](O)CNCCN1CC[NH+](C)CC1 ZINC001253201869 825904160 /nfs/dbraw/zinc/90/41/60/825904160.db2.gz AJLHSQFWJKHFPJ-CQSZACIVSA-N 2 0 272.437 -0.474 20 0 CBADRP CC[NH+](CC)C[C@H](O)CNC(=[NH2+])N1CCN(C)CC1 ZINC001253207359 825905299 /nfs/dbraw/zinc/90/52/99/825905299.db2.gz FOJUDCFDMJLLOX-GFCCVEGCSA-N 2 0 271.409 -0.539 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[NH2+]C1CC(CO)(CO)C1 ZINC001253205228 825905455 /nfs/dbraw/zinc/90/54/55/825905455.db2.gz APRIPNWHFWMBMX-LBPRGKRZSA-N 2 0 260.378 -0.588 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](CO)[C@H]1CCOC1 ZINC001253211966 825906797 /nfs/dbraw/zinc/90/67/97/825906797.db2.gz FYACFMHZWSEEQD-XQQFMLRXSA-N 2 0 260.378 -0.324 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1C[C@H](O)C[NH2+]C(C)(C)C ZINC001253395041 825912168 /nfs/dbraw/zinc/91/21/68/825912168.db2.gz YZNKXFOARUJOFG-CHWSQXEVSA-N 2 0 273.421 -0.002 20 0 CBADRP CCOC(=O)C[C@H](O)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC001253788691 825930986 /nfs/dbraw/zinc/93/09/86/825930986.db2.gz BXZRXHHQYNBDMX-ZDUSSCGKSA-N 2 0 287.404 -0.472 20 0 CBADRP CCOC(=O)C[C@H](O)C[NH2+]CCN1CC[NH+](C)CC1 ZINC001253804918 825932700 /nfs/dbraw/zinc/93/27/00/825932700.db2.gz CPANTEJXRZGSBA-LBPRGKRZSA-N 2 0 273.377 -0.863 20 0 CBADRP Nc1cc[nH+]cc1-c1cn(CCOCCOCC[NH3+])nn1 ZINC001254152968 825944906 /nfs/dbraw/zinc/94/49/06/825944906.db2.gz SYJQSRFUSYBLOY-UHFFFAOYSA-N 2 0 292.343 -0.255 20 0 CBADRP C[NH+](C)CCCN(CCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC001254321447 825950744 /nfs/dbraw/zinc/95/07/44/825950744.db2.gz YCYCCILHMJYHKY-GFCCVEGCSA-N 2 0 277.434 -0.224 20 0 CBADRP CN([C@@H]1CC2CC[NH+](CC2)C1)S(=O)(=O)CC[NH3+] ZINC001254835734 825969971 /nfs/dbraw/zinc/96/99/71/825969971.db2.gz IUERBIJQCNDLTQ-LLVKDONJSA-N 2 0 261.391 -0.309 20 0 CBADRP COC(=O)[C@H](C[NH3+])CN[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254841485 825970268 /nfs/dbraw/zinc/97/02/68/825970268.db2.gz XHPXZTZMSIWSRJ-VXGBXAGGSA-N 2 0 255.362 -0.192 20 0 CBADRP COC(=O)[C@@H](C[NH3+])C[NH2+]C1CCN(c2ncccn2)CC1 ZINC001256049748 826001005 /nfs/dbraw/zinc/00/10/05/826001005.db2.gz SQYSGRBGTWOXFW-NSHDSACASA-N 2 0 293.371 -0.217 20 0 CBADRP C[N@H+](C[C@@H](O)CO)C1CCC([NH+]2CCOCC2)CC1 ZINC001256691016 826029268 /nfs/dbraw/zinc/02/92/68/826029268.db2.gz LUIJWKGXLNCISH-JXQTWKCFSA-N 2 0 272.389 -0.085 20 0 CBADRP OCC1([NH2+]C2CCC([NH+]3CCOCC3)CC2)COC1 ZINC001256679255 826029711 /nfs/dbraw/zinc/02/97/11/826029711.db2.gz HJCWIYMHHXPKHZ-UHFFFAOYSA-N 2 0 270.373 -0.019 20 0 CBADRP OC[C@H](O)C[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256677212 826029928 /nfs/dbraw/zinc/02/99/28/826029928.db2.gz MZJDUQKEBQVWNK-WXRRBKDZSA-N 2 0 258.362 -0.427 20 0 CBADRP COC(=O)[C@H](CN)C[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256682517 826030563 /nfs/dbraw/zinc/03/05/63/826030563.db2.gz KAZAZKIPVOKHED-IYXRBSQSSA-N 2 0 299.415 -0.033 20 0 CBADRP [NH3+]C[C@@H](O)C[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256676605 826030589 /nfs/dbraw/zinc/03/05/89/826030589.db2.gz FOBHFBFGIHPNTK-WXRRBKDZSA-N 3 0 257.378 -0.461 20 0 CBADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CNC(=O)CO2)CC1 ZINC001257207730 826040954 /nfs/dbraw/zinc/04/09/54/826040954.db2.gz FKIYYJMNYZABTF-GFCCVEGCSA-N 2 0 255.362 -0.036 20 0 CBADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC001257924854 826052873 /nfs/dbraw/zinc/05/28/73/826052873.db2.gz GEEOOPRFEOWGCH-GHMZBOCLSA-N 2 0 294.417 -0.073 20 0 CBADRP CC[C@@H]1C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001261228016 826496883 /nfs/dbraw/zinc/49/68/83/826496883.db2.gz NYOAPGPXQYPPMB-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC001261379021 826508781 /nfs/dbraw/zinc/50/87/81/826508781.db2.gz PGZKZSPZRAKHEL-STQMWFEESA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](CN1CCOCC1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001261492600 826524675 /nfs/dbraw/zinc/52/46/75/826524675.db2.gz LWMBXOWBKSTEEK-CABCVRRESA-N 2 0 282.432 -0.313 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC001261494804 826525970 /nfs/dbraw/zinc/52/59/70/826525970.db2.gz FUOHNMCKDORNST-NSHDSACASA-N 2 0 263.345 -0.479 20 0 CBADRP C[NH2+]CC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001261530474 826534862 /nfs/dbraw/zinc/53/48/62/826534862.db2.gz FFUQEKCNXBTSTD-SRVKXCTJSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC001261606917 826544250 /nfs/dbraw/zinc/54/42/50/826544250.db2.gz VUAXYUUTHOZPOP-UHFFFAOYSA-N 2 0 284.404 -0.584 20 0 CBADRP [NH3+]CCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001261632065 826548475 /nfs/dbraw/zinc/54/84/75/826548475.db2.gz OFVKIRJMHGDNDF-NSHDSACASA-N 2 0 256.350 -0.502 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001261636453 826551947 /nfs/dbraw/zinc/55/19/47/826551947.db2.gz KTMMNFOEPVEUEU-MNOVXSKESA-N 2 0 270.377 -0.879 20 0 CBADRP [NH3+]CCCCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001261643117 826552847 /nfs/dbraw/zinc/55/28/47/826552847.db2.gz GPTWJNZTJNSVMF-SECBINFHSA-N 2 0 251.334 -0.045 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001261818844 826586593 /nfs/dbraw/zinc/58/65/93/826586593.db2.gz JIWMHROVJXMZJT-VIFPVBQESA-N 2 0 256.350 -0.998 20 0 CBADRP [NH3+]CCCOCC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC001261836705 826594803 /nfs/dbraw/zinc/59/48/03/826594803.db2.gz JNTLTZWDYQHTRW-SNVBAGLBSA-N 2 0 250.364 -0.481 20 0 CBADRP C([NH2+][C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1COCCN1 ZINC001261836719 826594838 /nfs/dbraw/zinc/59/48/38/826594838.db2.gz JVAHOQCDSYBCCZ-XUXIUFHCSA-N 2 0 269.389 -0.279 20 0 CBADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC001261836710 826595054 /nfs/dbraw/zinc/59/50/54/826595054.db2.gz JTXNPKZKTTWNAS-FQUUOJAGSA-N 2 0 298.431 -0.332 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001261892582 826605168 /nfs/dbraw/zinc/60/51/68/826605168.db2.gz QKYWQRXXEQQPPE-RWMBFGLXSA-N 2 0 268.405 -0.406 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC001262005519 826617162 /nfs/dbraw/zinc/61/71/62/826617162.db2.gz DUOHDXMEWGYRBU-VIFPVBQESA-N 2 0 251.334 -0.392 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CCCO1 ZINC001262008495 826617943 /nfs/dbraw/zinc/61/79/43/826617943.db2.gz OJLKJFPZGDVMAG-MXWKQRLJSA-N 2 0 259.325 -0.490 20 0 CBADRP O=C(CCC12CC(C1)C[NH2+]2)N1CCOC2(C[NH2+]C2)C1 ZINC001262006990 826618431 /nfs/dbraw/zinc/61/84/31/826618431.db2.gz PASNKPXOJPHCAV-UHFFFAOYSA-N 2 0 265.357 -0.281 20 0 CBADRP [NH3+]Cc1ncc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cn1 ZINC001262008198 826618546 /nfs/dbraw/zinc/61/85/46/826618546.db2.gz DKODCMXCQAUVJD-IUCAKERBSA-N 2 0 253.281 -0.635 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC001262034646 826627072 /nfs/dbraw/zinc/62/70/72/826627072.db2.gz KJVYIAFDEVPPMZ-GRYCIOLGSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001262034647 826627151 /nfs/dbraw/zinc/62/71/51/826627151.db2.gz KJVYIAFDEVPPMZ-SDDRHHMPSA-N 2 0 284.404 -0.362 20 0 CBADRP COC[C@@]1(C(=O)NCc2cc(N)cc[nH+]2)CC[NH2+]C1 ZINC001262048309 826627452 /nfs/dbraw/zinc/62/74/52/826627452.db2.gz OQEYSLAKVUCESU-CYBMUJFWSA-N 2 0 264.329 -0.094 20 0 CBADRP [NH3+]CCCN(CC(F)(F)F)C(=O)COCC[NH3+] ZINC001262038400 826627544 /nfs/dbraw/zinc/62/75/44/826627544.db2.gz KQDQEFBNMZZMRY-UHFFFAOYSA-N 2 0 257.256 -0.299 20 0 CBADRP C[N@H+](CCCCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC001262063363 826629427 /nfs/dbraw/zinc/62/94/27/826629427.db2.gz XLOYVWRSCGFHKW-HAQNSBGRSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001262065784 826629946 /nfs/dbraw/zinc/62/99/46/826629946.db2.gz JTCFHJICXSJSBO-UTUOFQBUSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C(C)(C)C[NH+](C)C ZINC001262067052 826630329 /nfs/dbraw/zinc/63/03/29/826630329.db2.gz REVAEHSIHOJYHT-UTUOFQBUSA-N 2 0 298.431 -0.068 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C[NH+]1CCCC1 ZINC001262068554 826630661 /nfs/dbraw/zinc/63/06/61/826630661.db2.gz DYGVXQZVMBFEJS-UPJWGTAASA-N 2 0 296.415 -0.312 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001262068805 826631012 /nfs/dbraw/zinc/63/10/12/826631012.db2.gz LPIQZDWOOPLOOG-YNEHKIRRSA-N 2 0 296.415 -0.489 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262073467 826632582 /nfs/dbraw/zinc/63/25/82/826632582.db2.gz SIXDERXRTGXFGT-GRYCIOLGSA-N 2 0 282.388 -0.608 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC001262095991 826636045 /nfs/dbraw/zinc/63/60/45/826636045.db2.gz HTRWJHULXMPXBZ-OUAUKWLOSA-N 2 0 256.350 -0.599 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001262171847 826648018 /nfs/dbraw/zinc/64/80/18/826648018.db2.gz IWJAPYNGGBVMLW-GFCCVEGCSA-N 2 0 266.389 -0.604 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC[C@@H]1C[NH3+] ZINC001262541709 826702029 /nfs/dbraw/zinc/70/20/29/826702029.db2.gz DTXOMNXAYBNDSQ-VXGBXAGGSA-N 2 0 296.415 -0.360 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)C[C@]2(C)C1 ZINC001262548399 826705573 /nfs/dbraw/zinc/70/55/73/826705573.db2.gz RVFYVEDWFPYHLW-FJJYHAOUSA-N 2 0 294.399 -0.750 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)N2CCC[NH2+]CC2)CCOCC1 ZINC001262554266 826708538 /nfs/dbraw/zinc/70/85/38/826708538.db2.gz YGCSVDURNWUSMB-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP C[N@H+]1CC=C(C[NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC001262567107 826710153 /nfs/dbraw/zinc/71/01/53/826710153.db2.gz JBXDSSCZHTVRSP-ZIAGYGMSSA-N 2 0 270.373 -0.260 20 0 CBADRP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)NCCCN1CC[NH2+]CC1 ZINC001262583961 826712419 /nfs/dbraw/zinc/71/24/19/826712419.db2.gz NAWHBPDTHSBQJY-DZGCQCFKSA-N 2 0 295.431 -0.196 20 0 CBADRP [NH3+]CCNC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001262583692 826712633 /nfs/dbraw/zinc/71/26/33/826712633.db2.gz GRTBWABPZRVYML-JTQLQIEISA-N 2 0 256.350 -0.597 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC001262586911 826713431 /nfs/dbraw/zinc/71/34/31/826713431.db2.gz OIWGMMRIPPMYCC-NXEZZACHSA-N 2 0 256.350 -0.728 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC001262584405 826713530 /nfs/dbraw/zinc/71/35/30/826713530.db2.gz BBFHRIVSDNYRJQ-YPMHNXCESA-N 2 0 270.377 -0.255 20 0 CBADRP C[NH2+]CCOCCNC(=O)N(CC[NH2+]C)C(C)C ZINC001262588613 826715147 /nfs/dbraw/zinc/71/51/47/826715147.db2.gz KBYCJZVDVBKPFR-UHFFFAOYSA-N 2 0 260.382 -0.138 20 0 CBADRP CN(C(=O)N[C@@H]1CC[NH2+]C1)C1(C[NH3+])CCOCC1 ZINC001262589036 826715151 /nfs/dbraw/zinc/71/51/51/826715151.db2.gz WJUNVZKNSSOBLJ-SNVBAGLBSA-N 2 0 256.350 -0.502 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001263061811 826731262 /nfs/dbraw/zinc/73/12/62/826731262.db2.gz BZPJKAQGEGNZNL-UTUOFQBUSA-N 2 0 252.362 -0.805 20 0 CBADRP CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001263062199 826731448 /nfs/dbraw/zinc/73/14/48/826731448.db2.gz NLOZMBNMQWRVPF-NWDGAFQWSA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@]1(C(=O)NCC[NH+]2CCCCC2)C[C@@H](O)C[NH2+]1 ZINC001263094203 826735649 /nfs/dbraw/zinc/73/56/49/826735649.db2.gz ZEYMWCFMTLWLFF-DGCLKSJQSA-N 2 0 255.362 -0.299 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)C1(C[NH3+])CC(O)C1 ZINC001263096697 826736391 /nfs/dbraw/zinc/73/63/91/826736391.db2.gz ZFXRVSSRRJKXNT-UHFFFAOYSA-N 2 0 273.377 -0.829 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001263099398 826736610 /nfs/dbraw/zinc/73/66/10/826736610.db2.gz JOKPDWDIVDAHHO-UKRRQHHQSA-N 2 0 299.415 -0.284 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CNCC[NH3+])C1 ZINC001263100250 826736672 /nfs/dbraw/zinc/73/66/72/826736672.db2.gz JFEBOYXENMMFMX-LBPRGKRZSA-N 2 0 256.394 -0.371 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001263099827 826736872 /nfs/dbraw/zinc/73/68/72/826736872.db2.gz WCWXKOUNFLHYPQ-QWHCGFSZSA-N 2 0 296.415 -0.264 20 0 CBADRP [NH3+]CC1(C(=O)NCCCC[NH+]2CCOCC2)CC(O)C1 ZINC001263095728 826737140 /nfs/dbraw/zinc/73/71/40/826737140.db2.gz VAPBPQZAXYCCMJ-UHFFFAOYSA-N 2 0 285.388 -0.685 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001263099399 826737237 /nfs/dbraw/zinc/73/72/37/826737237.db2.gz JOKPDWDIVDAHHO-ZFWWWQNUSA-N 2 0 299.415 -0.284 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[C@@H]1C[NH3+])C[NH+]1CCN(C)CC1 ZINC001263103177 826737835 /nfs/dbraw/zinc/73/78/35/826737835.db2.gz RJHSPWYTUAECSI-JHJVBQTASA-N 2 0 268.405 -0.419 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)CCSCCC[NH3+] ZINC001263103877 826737966 /nfs/dbraw/zinc/73/79/66/826737966.db2.gz PIEPROKFBORMTL-GFCCVEGCSA-N 2 0 288.461 -0.180 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)[C@@H](C)C[NH2+]1 ZINC001263104746 826738416 /nfs/dbraw/zinc/73/84/16/826738416.db2.gz SAYUNSYJOMHHIZ-NEPJUHHUSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH2+]CCN2C)C[N@@H+]1C1CC1 ZINC001263103422 826738663 /nfs/dbraw/zinc/73/86/63/826738663.db2.gz YRSNUVMDKNAONG-NTZNESFSSA-N 2 0 266.389 -0.369 20 0 CBADRP [NH3+]CC1(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC(O)C1 ZINC001263108454 826739167 /nfs/dbraw/zinc/73/91/67/826739167.db2.gz XVHDLNHIEGWVIU-HRDQMINSSA-N 2 0 267.373 -0.312 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001263108433 826739232 /nfs/dbraw/zinc/73/92/32/826739232.db2.gz XCPVXYWHZYIILG-ZWNOBZJWSA-N 2 0 255.362 -0.313 20 0 CBADRP [NH3+]CC1(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC(O)C1 ZINC001263108542 826739270 /nfs/dbraw/zinc/73/92/70/826739270.db2.gz ANQGBSYCDADVOL-QUNCOHTASA-N 2 0 253.346 -0.656 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)[C@H]1C ZINC001263107317 826739628 /nfs/dbraw/zinc/73/96/28/826739628.db2.gz TYHFBGUQAIYWJT-CYDGBPFRSA-N 2 0 266.389 -0.417 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001263107318 826739746 /nfs/dbraw/zinc/73/97/46/826739746.db2.gz TYHFBGUQAIYWJT-RVMXOQNASA-N 2 0 266.389 -0.417 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001263108168 826739763 /nfs/dbraw/zinc/73/97/63/826739763.db2.gz PTJORDRHKUKMRF-LPWJVIDDSA-N 2 0 296.415 -0.314 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC001263108465 826739939 /nfs/dbraw/zinc/73/99/39/826739939.db2.gz YBMORERIGAIVMZ-VPOLOUISSA-N 2 0 261.341 -0.639 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[NH2+]1 ZINC001263107370 826739942 /nfs/dbraw/zinc/73/99/42/826739942.db2.gz VIYIOXWZOSJOSQ-GRYCIOLGSA-N 2 0 282.388 -0.560 20 0 CBADRP [NH3+]CCCSCCC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001263110147 826741142 /nfs/dbraw/zinc/74/11/42/826741142.db2.gz PHMNTMQTOSPTJB-NSHDSACASA-N 2 0 275.418 -0.047 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001263134348 826742755 /nfs/dbraw/zinc/74/27/55/826742755.db2.gz RMQRBUWSOZTAHM-VHSXEESVSA-N 2 0 261.391 -0.439 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001263151680 826743702 /nfs/dbraw/zinc/74/37/02/826743702.db2.gz IUXSCDJULQKSFJ-QWRGUYRKSA-N 2 0 253.346 -0.438 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001263148593 826744034 /nfs/dbraw/zinc/74/40/34/826744034.db2.gz HEHVMPLYRVKFFG-OCCSQVGLSA-N 2 0 285.388 -0.674 20 0 CBADRP [NH3+][C@H](CO)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC001263153142 826744673 /nfs/dbraw/zinc/74/46/73/826744673.db2.gz FBJRMBLOFLCTPN-NWDGAFQWSA-N 2 0 255.362 -0.456 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O)[NH+](C)C ZINC001263154756 826744846 /nfs/dbraw/zinc/74/48/46/826744846.db2.gz CMKQYMRHMVBNDV-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP O=C(N[C@H]1COC2(C[NH2+]C2)C1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001263156026 826744943 /nfs/dbraw/zinc/74/49/43/826744943.db2.gz LCBFTPXZYACCNI-ZNSHCXBVSA-N 2 0 251.330 -0.911 20 0 CBADRP [NH3+]CCNCC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001263153419 826745016 /nfs/dbraw/zinc/74/50/16/826745016.db2.gz LZDNTTOSIDFUSB-NEPJUHHUSA-N 2 0 254.378 -0.332 20 0 CBADRP [NH3+]CCNCC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC001263161968 826746094 /nfs/dbraw/zinc/74/60/94/826746094.db2.gz UPUXUEZKQHVNIE-UHFFFAOYSA-N 2 0 268.405 -0.227 20 0 CBADRP [NH3+]C[C@H](O)CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC001263159331 826746388 /nfs/dbraw/zinc/74/63/88/826746388.db2.gz YEKBIXAYHZAZAE-GXTWGEPZSA-N 2 0 263.341 -0.647 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001263165942 826747781 /nfs/dbraw/zinc/74/77/81/826747781.db2.gz PQWOHMAKYFWDGH-GARJFASQSA-N 2 0 255.362 -0.396 20 0 CBADRP C[NH2+]C1CC(C(=O)N2NC(=O)CC23CC[NH2+]CC3)C1 ZINC001263202573 826752468 /nfs/dbraw/zinc/75/24/68/826752468.db2.gz DPGSFKSMXWLLTA-UHFFFAOYSA-N 2 0 266.345 -0.630 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)C1 ZINC001263212182 826754068 /nfs/dbraw/zinc/75/40/68/826754068.db2.gz MDRKSYSECRVCNY-IACUBPJLSA-N 2 0 267.373 -0.312 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC[C@@H]1C[NH3+] ZINC001263214785 826754678 /nfs/dbraw/zinc/75/46/78/826754678.db2.gz WDONROKIFTXTBP-NQBHXWOUSA-N 2 0 255.362 -0.192 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001263216523 826754716 /nfs/dbraw/zinc/75/47/16/826754716.db2.gz PAJPRSSKSBJBTR-TUAOUCFPSA-N 2 0 253.346 -0.567 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001263214731 826755292 /nfs/dbraw/zinc/75/52/92/826755292.db2.gz UZXSRYFAUZPLSP-VXGBXAGGSA-N 2 0 282.388 -0.619 20 0 CBADRP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)CNCC[NH3+] ZINC001263231784 826755998 /nfs/dbraw/zinc/75/59/98/826755998.db2.gz QRHZLVWPXQQIPS-GFCCVEGCSA-N 2 0 256.394 -0.277 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)CCC1C[NH2+]C1 ZINC001263252925 826758623 /nfs/dbraw/zinc/75/86/23/826758623.db2.gz FFSPQJANYQLGCU-GFCCVEGCSA-N 2 0 255.362 -0.177 20 0 CBADRP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)CN1CC[NH2+]CC1 ZINC001263256007 826759049 /nfs/dbraw/zinc/75/90/49/826759049.db2.gz NSBSHUWPMSPDSI-WCQYABFASA-N 2 0 252.362 -0.769 20 0 CBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001263248356 826759298 /nfs/dbraw/zinc/75/92/98/826759298.db2.gz AXNWJGQQPKMOPX-OJROKELRSA-N 2 0 265.357 -0.378 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@@]12CC[NH2+]C2 ZINC001263259121 826760194 /nfs/dbraw/zinc/76/01/94/826760194.db2.gz NXQZAYSZGLPWMC-YPMHNXCESA-N 2 0 253.346 -0.281 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@@H]([NH3+])C1 ZINC001263320523 826763539 /nfs/dbraw/zinc/76/35/39/826763539.db2.gz BLMXAVLYJJBWAG-PHIMTYICSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(C[C@@H]1CC[N@@H+]1CCOCCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001263821501 826781144 /nfs/dbraw/zinc/78/11/44/826781144.db2.gz UAQWOGSROHHREA-KBPBESRZSA-N 2 0 299.415 -0.520 20 0 CBADRP CN(C[C@H]1CC[N@@H+]1CCOCCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001263821504 826781333 /nfs/dbraw/zinc/78/13/33/826781333.db2.gz UAQWOGSROHHREA-ZIAGYGMSSA-N 2 0 299.415 -0.520 20 0 CBADRP CN(CCOCC[N@H+](C)CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001264111709 826799107 /nfs/dbraw/zinc/79/91/07/826799107.db2.gz VSXSZKAWTREMIE-UHFFFAOYSA-N 2 0 299.415 -0.519 20 0 CBADRP CN(C)C(=O)C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001264970398 826822150 /nfs/dbraw/zinc/82/21/50/826822150.db2.gz MBMQJGNZFMLFBE-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)CC(N)=O ZINC001264986300 826830499 /nfs/dbraw/zinc/83/04/99/826830499.db2.gz GGPKNQRVRZLROF-GFCCVEGCSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[N@H+](C)CC(=O)N1CCCC1 ZINC001265030762 826839540 /nfs/dbraw/zinc/83/95/40/826839540.db2.gz ICOYRPQMZQCROO-UHFFFAOYSA-N 2 0 298.431 -0.001 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCOCCO)C1)[NH+](C)C ZINC001265312049 826878336 /nfs/dbraw/zinc/87/83/36/826878336.db2.gz GGPWXMSCGPJFCX-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCO)C1CC1 ZINC001265350753 826884488 /nfs/dbraw/zinc/88/44/88/826884488.db2.gz XCQKCPXNNGHJLS-NWDGAFQWSA-N 2 0 255.362 -0.443 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCO)C2)C1 ZINC001265507052 826899879 /nfs/dbraw/zinc/89/98/79/826899879.db2.gz DQPVIVXZUBNKHQ-SRVKXCTJSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001265554194 826903586 /nfs/dbraw/zinc/90/35/86/826903586.db2.gz MWSLLDLBPFFPCI-UTUOFQBUSA-N 2 0 257.378 -0.054 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001265569844 826905533 /nfs/dbraw/zinc/90/55/33/826905533.db2.gz HDAAPGUUDWQMEU-UPJWGTAASA-N 2 0 285.388 -0.816 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001265922804 826938023 /nfs/dbraw/zinc/93/80/23/826938023.db2.gz HWFZNPUVIXEUAK-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001266012605 826947612 /nfs/dbraw/zinc/94/76/12/826947612.db2.gz GPWDQJBZWHDWHN-RYUDHWBXSA-N 2 0 257.378 -0.243 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001266231252 826961303 /nfs/dbraw/zinc/96/13/03/826961303.db2.gz DLNXVHVUWNQGNA-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266339657 826985695 /nfs/dbraw/zinc/98/56/95/826985695.db2.gz VDRNWOAAGZRYBJ-VXGBXAGGSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C[C@@H](C)O ZINC001266427888 826998166 /nfs/dbraw/zinc/99/81/66/826998166.db2.gz DTVVEMIXNJZUGE-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CCO)C1)[NH+](C)C ZINC001266534169 827017333 /nfs/dbraw/zinc/01/73/33/827017333.db2.gz WIUFCGFWSLBTSN-NEPJUHHUSA-N 2 0 257.378 -0.243 20 0 CBADRP COCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001266565849 827022688 /nfs/dbraw/zinc/02/26/88/827022688.db2.gz RKDDMLCINRNNOD-LBPRGKRZSA-N 2 0 255.362 -0.081 20 0 CBADRP COCCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001266565777 827023706 /nfs/dbraw/zinc/02/37/06/827023706.db2.gz NQCVJXPBIQRNDI-KGLIPLIRSA-N 2 0 299.415 -0.208 20 0 CBADRP CN(C)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266702220 827054248 /nfs/dbraw/zinc/05/42/48/827054248.db2.gz UDYLVXLCDOKNAD-CYBMUJFWSA-N 2 0 296.415 -0.536 20 0 CBADRP CN(CC[NH2+]CC(N)=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001266798636 827067827 /nfs/dbraw/zinc/06/78/27/827067827.db2.gz RNPVMFNXRHWXSI-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP CCNC(=O)C[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001266911500 827081175 /nfs/dbraw/zinc/08/11/75/827081175.db2.gz NGBCQWYRVHVFTD-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@@H](C)C(N)=O ZINC001266968008 827100353 /nfs/dbraw/zinc/10/03/53/827100353.db2.gz RQZYBJJEARQTGG-UWVGGRQHSA-N 2 0 258.366 -0.704 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CCn1cccn1 ZINC001266968944 827100974 /nfs/dbraw/zinc/10/09/74/827100974.db2.gz XGQJUBCHEAFDIM-LBPRGKRZSA-N 2 0 267.377 -0.071 20 0 CBADRP CNC(=O)C[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001266979253 827101806 /nfs/dbraw/zinc/10/18/06/827101806.db2.gz AWTBBKWHKSBXSI-NSHDSACASA-N 2 0 270.377 -0.878 20 0 CBADRP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCCO ZINC001266984507 827102827 /nfs/dbraw/zinc/10/28/27/827102827.db2.gz BYFJRXJGIJRNTL-NEPJUHHUSA-N 2 0 257.378 -0.195 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](C[NH2+]CCO)C2)C1 ZINC001267065395 827111708 /nfs/dbraw/zinc/11/17/08/827111708.db2.gz TXYPYZLEXSTGTB-QWHCGFSZSA-N 2 0 269.389 -0.241 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CC(=O)NC ZINC001267116781 827114027 /nfs/dbraw/zinc/11/40/27/827114027.db2.gz HKMIUAFXZANJQH-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCO ZINC001267140316 827116976 /nfs/dbraw/zinc/11/69/76/827116976.db2.gz OEVNRQZLCNHXIM-NEPJUHHUSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001267144230 827117982 /nfs/dbraw/zinc/11/79/82/827117982.db2.gz VNRROFMTJCQLMM-WDEREUQCSA-N 2 0 298.387 -0.772 20 0 CBADRP C[C@H](O)C[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001267225943 827134058 /nfs/dbraw/zinc/13/40/58/827134058.db2.gz IOHNYXQMYTXBMB-RYUDHWBXSA-N 2 0 257.378 -0.243 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C[C@H](C)O ZINC001267238985 827134775 /nfs/dbraw/zinc/13/47/75/827134775.db2.gz WLNWCSHTDVEJHG-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001267275214 827141387 /nfs/dbraw/zinc/14/13/87/827141387.db2.gz UZCPANLFJXKKBB-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(N)=O ZINC001267372491 827160676 /nfs/dbraw/zinc/16/06/76/827160676.db2.gz RZRNEUDLPVEYPR-NSHDSACASA-N 2 0 270.377 -0.608 20 0 CBADRP CN(CC[NH2+]CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267373751 827161659 /nfs/dbraw/zinc/16/16/59/827161659.db2.gz LIPRRXXGPSYYRO-GFCCVEGCSA-N 2 0 255.362 -0.632 20 0 CBADRP COC[C@H](O)C[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267373757 827161847 /nfs/dbraw/zinc/16/18/47/827161847.db2.gz LSCQCTFABYDSKT-KGLIPLIRSA-N 2 0 299.415 -0.617 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001267451556 827172284 /nfs/dbraw/zinc/17/22/84/827172284.db2.gz IHKGMSHRMXRIIU-JTQLQIEISA-N 2 0 258.366 -0.750 20 0 CBADRP CN(CC[NH2+]CCOCCO)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001267463574 827175641 /nfs/dbraw/zinc/17/56/41/827175641.db2.gz WPNMRMXBJDAHEL-HNNXBMFYSA-N 2 0 299.415 -0.471 20 0 CBADRP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(N)=O ZINC001268216003 827261217 /nfs/dbraw/zinc/26/12/17/827261217.db2.gz FPLWWPNWDPCTIA-SNVBAGLBSA-N 2 0 258.366 -0.846 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH+](C)CCO)C1 ZINC001268250290 827271323 /nfs/dbraw/zinc/27/13/23/827271323.db2.gz AMKYENVZMWPCBQ-LBPRGKRZSA-N 2 0 257.378 -0.289 20 0 CBADRP COCCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001268298277 827282772 /nfs/dbraw/zinc/28/27/72/827282772.db2.gz MONHWNZAHUSMTK-NWDGAFQWSA-N 2 0 273.377 -0.816 20 0 CBADRP O=C(NC[C@H](O)C[NH2+]CCF)[C@@H]1C[NH+]2CCC1CC2 ZINC001268306357 827289486 /nfs/dbraw/zinc/28/94/86/827289486.db2.gz AXLVQBSJSDPRDO-VXGBXAGGSA-N 2 0 273.352 -0.636 20 0 CBADRP CC(C)[NH2+]C[C@@H](O)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268322153 827299639 /nfs/dbraw/zinc/29/96/39/827299639.db2.gz PNKZRUFXISQBOH-VXGBXAGGSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@@H](CC[NH2+]CCn1cncn1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268350307 827312210 /nfs/dbraw/zinc/31/22/10/827312210.db2.gz OOAHMOPHZRBGQZ-STQMWFEESA-N 2 0 294.403 -0.143 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)CC[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001268375881 827317750 /nfs/dbraw/zinc/31/77/50/827317750.db2.gz SQZXKYXYRHUJPB-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001268391534 827320482 /nfs/dbraw/zinc/32/04/82/827320482.db2.gz CTYJUHUTUAVFMP-NSHDSACASA-N 2 0 284.404 -0.441 20 0 CBADRP CCN(C)C(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268423211 827325460 /nfs/dbraw/zinc/32/54/60/827325460.db2.gz KNPAZWRVRZSETP-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+](C)CCC(=O)NC1C[NH+](C[C@H]2CCOC2)C1 ZINC001268446584 827333067 /nfs/dbraw/zinc/33/30/67/827333067.db2.gz ZIBZVXUNCNHSMM-LLVKDONJSA-N 2 0 255.362 -0.225 20 0 CBADRP COC[C@@H](O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268543686 827360496 /nfs/dbraw/zinc/36/04/96/827360496.db2.gz XRIZNTZJKYKTDC-SNSPGFKJSA-N 2 0 299.415 -0.404 20 0 CBADRP CC[C@H](C(=O)NC/C=C\C[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001268553420 827362173 /nfs/dbraw/zinc/36/21/73/827362173.db2.gz AGQAONGWLAVWFH-ABZJQCSKSA-N 2 0 282.388 -0.523 20 0 CBADRP CNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268557076 827364342 /nfs/dbraw/zinc/36/43/42/827364342.db2.gz SMSQJGCQNTVEHE-RXNFCKPNSA-N 2 0 282.388 -0.521 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)C1(C[NH+](C)C)CC1 ZINC001268580864 827370247 /nfs/dbraw/zinc/37/02/47/827370247.db2.gz DDTJAZWGSKZROH-BTDICHCPSA-N 2 0 296.415 -0.275 20 0 CBADRP C[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001268584264 827371973 /nfs/dbraw/zinc/37/19/73/827371973.db2.gz XXVPNBFHXFDAEZ-PMSGKRBCSA-N 2 0 296.415 -0.148 20 0 CBADRP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001268625276 827383476 /nfs/dbraw/zinc/38/34/76/827383476.db2.gz MEBOSDAOHXALJR-AAAGKOELSA-N 2 0 296.415 -0.323 20 0 CBADRP CN(CCC[NH2+]CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001268800877 827423465 /nfs/dbraw/zinc/42/34/65/827423465.db2.gz AQFXKPCTDBNTRC-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP C[C@@H](O)C[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001268837859 827428288 /nfs/dbraw/zinc/42/82/88/827428288.db2.gz IVWNBRVEEBWIJR-LLVKDONJSA-N 2 0 269.389 -0.101 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+]2CCCO)C1 ZINC001269332291 827494496 /nfs/dbraw/zinc/49/44/96/827494496.db2.gz PSDNFKVCLYPBOT-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCO ZINC001269472130 827513080 /nfs/dbraw/zinc/51/30/80/827513080.db2.gz VSULKBZFCOMGKC-VXGBXAGGSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H](O)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001269489299 827513965 /nfs/dbraw/zinc/51/39/65/827513965.db2.gz MFHZGDZFDQGEFF-NWDGAFQWSA-N 2 0 269.389 -0.053 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CCO ZINC001270174661 827551522 /nfs/dbraw/zinc/55/15/22/827551522.db2.gz PGEQWDLKJUCDDR-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC2(C[NH+](CCO)C2)CC1 ZINC001270858071 827601679 /nfs/dbraw/zinc/60/16/79/827601679.db2.gz RMBOBOWPGYYVJX-UHFFFAOYSA-N 2 0 269.389 -0.145 20 0 CBADRP CC[N@H+](C)CC(=O)N1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001271084167 827621055 /nfs/dbraw/zinc/62/10/55/827621055.db2.gz JSCXFOQTUAEQQD-OKILXGFUSA-N 2 0 298.431 -0.589 20 0 CBADRP C[C@@H](C[NH2+]CCO)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001271100270 827622236 /nfs/dbraw/zinc/62/22/36/827622236.db2.gz GUJFDMFEXPQEBR-RYUDHWBXSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@@H](C[NH2+]CCO)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001271172134 827671698 /nfs/dbraw/zinc/67/16/98/827671698.db2.gz WZFAZVGVVZXJFI-NWDGAFQWSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001271172132 827671922 /nfs/dbraw/zinc/67/19/22/827671922.db2.gz WYEQQZFXEPFXFX-VXGBXAGGSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+]1CC2(C1)CCCN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001271802148 827727060 /nfs/dbraw/zinc/72/70/60/827727060.db2.gz RBNHDNWUOLNCNL-UHFFFAOYSA-N 2 0 281.400 -0.003 20 0 CBADRP C[N@@H+]1CCC2(CN(C(=O)C3(O)CC[NH+](C)CC3)C2)C1 ZINC001271800770 827727147 /nfs/dbraw/zinc/72/71/47/827727147.db2.gz AAHUJONAURZOJG-UHFFFAOYSA-N 2 0 267.373 -0.393 20 0 CBADRP CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001271996212 827748424 /nfs/dbraw/zinc/74/84/24/827748424.db2.gz JOBQJUVZWZOJBS-OCCSQVGLSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272196841 827769601 /nfs/dbraw/zinc/76/96/01/827769601.db2.gz PUBBFGMUASDPSO-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCF ZINC001272496345 827807636 /nfs/dbraw/zinc/80/76/36/827807636.db2.gz NOZPUPOKZXWFFA-MNOVXSKESA-N 2 0 261.341 -0.493 20 0 CBADRP CCC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001272558751 827820388 /nfs/dbraw/zinc/82/03/88/827820388.db2.gz BFNCCDFCDPNMDX-VXGBXAGGSA-N 2 0 257.378 -0.195 20 0 CBADRP CC(C)C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001272583047 827824137 /nfs/dbraw/zinc/82/41/37/827824137.db2.gz DPUDJWHAONADGF-GFCCVEGCSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H](CC[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001272688013 827834288 /nfs/dbraw/zinc/83/42/88/827834288.db2.gz FDAKPBGFCFDFIQ-AAEUAGOBSA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@H](CC[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001272689155 827834599 /nfs/dbraw/zinc/83/45/99/827834599.db2.gz YCFIXOLRRNDOCH-GHMZBOCLSA-N 2 0 295.391 -0.711 20 0 CBADRP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001272781808 827838652 /nfs/dbraw/zinc/83/86/52/827838652.db2.gz JVHUSWDHNSCCHC-YPMHNXCESA-N 2 0 296.415 -0.441 20 0 CBADRP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001273123218 827866576 /nfs/dbraw/zinc/86/65/76/827866576.db2.gz PCKXLVQZHSFOPS-NSHDSACASA-N 2 0 282.388 -0.687 20 0 CBADRP COC[C@H](O)C[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001273123250 827867837 /nfs/dbraw/zinc/86/78/37/827867837.db2.gz PPWQVIAEEPUFLD-QWHCGFSZSA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001273201321 827872682 /nfs/dbraw/zinc/87/26/82/827872682.db2.gz LKCHQUMPKFZIIT-NEPJUHHUSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH+](C)CCCN1CC[C@]2(C1)CN(C1COC1)C(=O)CO2 ZINC001273713685 827921777 /nfs/dbraw/zinc/92/17/77/827921777.db2.gz KFZHCABROOOHLU-HNNXBMFYSA-N 2 0 297.399 -0.360 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC1CC1 ZINC001273912203 827940698 /nfs/dbraw/zinc/94/06/98/827940698.db2.gz WYCRGVALIKPUGW-IBUXWKBASA-N 2 0 294.399 -0.379 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC1CC1 ZINC001273912207 827940771 /nfs/dbraw/zinc/94/07/71/827940771.db2.gz WYCRGVALIKPUGW-YWVDXFKGSA-N 2 0 294.399 -0.379 20 0 CBADRP CC(=O)NCC[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273999066 827951785 /nfs/dbraw/zinc/95/17/85/827951785.db2.gz HDMQXIHIIBPDOK-HNNXBMFYSA-N 2 0 296.415 -0.249 20 0 CBADRP CNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001274034325 827954688 /nfs/dbraw/zinc/95/46/88/827954688.db2.gz DKDGZGPWMYTDPQ-IBUXWKBASA-N 2 0 294.399 -0.664 20 0 CBADRP C[C@H](O)C[N@@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001274047320 827956517 /nfs/dbraw/zinc/95/65/17/827956517.db2.gz OBXIGXXZAVSUOD-GXTWGEPZSA-N 2 0 269.389 -0.004 20 0 CBADRP CNC(=O)C[NH+]1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001274072647 827964702 /nfs/dbraw/zinc/96/47/02/827964702.db2.gz GAOCCTMLECWNGL-GFCCVEGCSA-N 2 0 296.415 -0.488 20 0 CBADRP CC[C@H](C(=O)NC/C=C/C[NH2+][C@H](C)C(N)=O)[NH+](C)C ZINC001274126131 827969308 /nfs/dbraw/zinc/96/93/08/827969308.db2.gz XVHIJRSMWWFNOK-AFPRHGJPSA-N 2 0 270.377 -0.538 20 0 CBADRP CC[C@H](C(=O)NC/C=C\C[NH2+][C@H](C)C(N)=O)[NH+](C)C ZINC001274126133 827969612 /nfs/dbraw/zinc/96/96/12/827969612.db2.gz XVHIJRSMWWFNOK-GYHQZXBOSA-N 2 0 270.377 -0.538 20 0 CBADRP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@H](O)CO ZINC001274565755 828001718 /nfs/dbraw/zinc/00/17/18/828001718.db2.gz UEUCIBLXLNDMGV-ZFWWWQNUSA-N 2 0 299.415 -0.642 20 0 CBADRP CNC(=O)C[NH2+]C/C=C\CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001274609304 828011745 /nfs/dbraw/zinc/01/17/45/828011745.db2.gz JYUSMTFFKOYUGJ-SIDSAAMKSA-N 2 0 296.415 -0.133 20 0 CBADRP Cc1nc(C)n(CC[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001274906353 828039810 /nfs/dbraw/zinc/03/98/10/828039810.db2.gz AUWYNMINDZZHOP-LLVKDONJSA-N 2 0 296.419 -0.059 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001275039298 828050777 /nfs/dbraw/zinc/05/07/77/828050777.db2.gz RCHOBWICPSSDNM-NXEZZACHSA-N 2 0 258.366 -0.705 20 0 CBADRP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C)CC3)[C@H]2C1 ZINC001275044957 828052530 /nfs/dbraw/zinc/05/25/30/828052530.db2.gz IMIFYDAKVMRJFX-STQMWFEESA-N 2 0 297.399 -0.251 20 0 CBADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](C[C@@H]3CCC(=O)N3)C[C@@H]21 ZINC001275188978 828063604 /nfs/dbraw/zinc/06/36/04/828063604.db2.gz RMEXECYRPCYHDS-IHRRRGAJSA-N 2 0 296.415 -0.788 20 0 CBADRP C[NH+](C)CCN1CC2(C1)C[NH+](C[C@H]1CCC(=O)N1)C2 ZINC001275188971 828064975 /nfs/dbraw/zinc/06/49/75/828064975.db2.gz RKSYDUDZOCUDAW-GFCCVEGCSA-N 2 0 266.389 -0.556 20 0 CBADRP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCC(=O)N1 ZINC001275187255 828065348 /nfs/dbraw/zinc/06/53/48/828065348.db2.gz HGPLYBSHVOLBRE-MCIONIFRSA-N 2 0 280.416 -0.025 20 0 CBADRP C[NH+](C)CCN1CC2(C1)C[NH+](CCN1CCOCC1)C2 ZINC001275990717 828128740 /nfs/dbraw/zinc/12/87/40/828128740.db2.gz WUWNHMNQVFFIKU-UHFFFAOYSA-N 2 0 282.432 -0.502 20 0 CBADRP CN(CCC[NH2+]CC(N)=O)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001276057779 828132074 /nfs/dbraw/zinc/13/20/74/828132074.db2.gz DHPBQONQCWLHFQ-NXEZZACHSA-N 2 0 279.344 -0.563 20 0 CBADRP CNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001276173403 828137316 /nfs/dbraw/zinc/13/73/16/828137316.db2.gz FSADAIRRTYOZIC-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(C)c(=O)n(C)c1=O ZINC001276321324 828140955 /nfs/dbraw/zinc/14/09/55/828140955.db2.gz FVOGPFHJYUXKEN-YHWZYXNKSA-N 2 0 292.383 -0.201 20 0 CBADRP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1C[NH+](CCO)C1 ZINC001276433736 828145956 /nfs/dbraw/zinc/14/59/56/828145956.db2.gz WICLIRPJFHVZHZ-NEPJUHHUSA-N 2 0 269.389 -0.243 20 0 CBADRP O=C(N[C@H](C[NH2+]CCO)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001276588506 828152221 /nfs/dbraw/zinc/15/22/21/828152221.db2.gz IKTUGZAHUGKBEI-ZIAGYGMSSA-N 2 0 281.400 -0.195 20 0 CBADRP O=C(N[C@H]1C[C@H](C[NH2+]CCO)C1)[C@@H]1CCn2cncc2C1 ZINC001277002121 828170850 /nfs/dbraw/zinc/17/08/50/828170850.db2.gz VQGXIZDUSYILIL-JHJVBQTASA-N 2 0 292.383 -0.078 20 0 CBADRP Cn1c[nH+]cc1N1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001277769745 828208467 /nfs/dbraw/zinc/20/84/67/828208467.db2.gz QVILUKMTOBJTKS-BETUJISGSA-N 2 0 279.388 -0.129 20 0 CBADRP CCOCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001277858517 828214233 /nfs/dbraw/zinc/21/42/33/828214233.db2.gz RBHDAQKVBLFXTJ-OKILXGFUSA-N 2 0 271.405 -0.031 20 0 CBADRP COC(=O)CC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001277864885 828215441 /nfs/dbraw/zinc/21/54/41/828215441.db2.gz NRRFEAJBQRWZKT-VXGBXAGGSA-N 2 0 295.383 -0.308 20 0 CBADRP C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001277960073 828223159 /nfs/dbraw/zinc/22/31/59/828223159.db2.gz YXRMUNKYJCAQOP-IJLUTSLNSA-N 2 0 267.373 -0.491 20 0 CBADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](CC(C)(C)CO)C[C@@H]21 ZINC001277968556 828224305 /nfs/dbraw/zinc/22/43/05/828224305.db2.gz VXYLTQHHFQEOHF-KBPBESRZSA-N 2 0 285.432 -0.049 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCO)[NH+](C)C ZINC001277982931 828226740 /nfs/dbraw/zinc/22/67/40/828226740.db2.gz YVENQGGONAFRBI-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001278013117 828230213 /nfs/dbraw/zinc/23/02/13/828230213.db2.gz KKSGGNFDQVGIPI-NWDGAFQWSA-N 2 0 254.378 -0.700 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001278032192 828232620 /nfs/dbraw/zinc/23/26/20/828232620.db2.gz JCVIKSKOGLDYQW-AVGNSLFASA-N 2 0 268.405 -0.040 20 0 CBADRP CN(C)C(=O)CN1CC2(CN(CC[NH+]3CCCC3)C2)C1 ZINC001278055781 828239157 /nfs/dbraw/zinc/23/91/57/828239157.db2.gz NDDYPVZILJEOSZ-UHFFFAOYSA-N 2 0 280.416 -0.212 20 0 CBADRP CN1CCO[C@H]2C[N@H+](CCCN3CC[NH+](C)CC3)C[C@@H]21 ZINC001278116780 828249582 /nfs/dbraw/zinc/24/95/82/828249582.db2.gz HGUJAQJWAWSACU-GJZGRUSLSA-N 2 0 282.432 -0.361 20 0 CBADRP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CCO ZINC001278520907 828272774 /nfs/dbraw/zinc/27/27/74/828272774.db2.gz KDHURKOMLAVZHO-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001278765912 828283823 /nfs/dbraw/zinc/28/38/23/828283823.db2.gz FDMNTAQUILBHOB-YPMHNXCESA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC001349399108 890807535 /nfs/dbraw/zinc/80/75/35/890807535.db2.gz WEYUTZWQEFAGSN-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC001349817068 890899182 /nfs/dbraw/zinc/89/91/82/890899182.db2.gz GOIKVHAVYSAMNT-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP CCOC(=O)C[C@H](O)CN(CC[NH+](C)C)CC[NH+](C)C ZINC001253797776 884806571 /nfs/dbraw/zinc/80/65/71/884806571.db2.gz HPSZXBPUVZPHRJ-ZDUSSCGKSA-N 2 0 289.420 -0.274 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC001326744667 885127310 /nfs/dbraw/zinc/12/73/10/885127310.db2.gz AMTFDTSMMVHLGQ-OUAUKWLOSA-N 2 0 268.361 -0.807 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001327056516 885235863 /nfs/dbraw/zinc/23/58/63/885235863.db2.gz SZDJELPFPUNJKD-NXEZZACHSA-N 2 0 270.377 -0.561 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC([NH2+]CCOC)CC1 ZINC001327448293 885357913 /nfs/dbraw/zinc/35/79/13/885357913.db2.gz GZJBDYGLJXTGMJ-UHFFFAOYSA-N 2 0 273.377 -0.551 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CCO)CCOCC1 ZINC001327621839 885432786 /nfs/dbraw/zinc/43/27/86/885432786.db2.gz LSDKJSCWSIRADL-LBPRGKRZSA-N 2 0 285.388 -0.672 20 0 CBADRP O=C(Nc1cnn(C2CC[NH2+]CC2)c1)C1(O)C[NH2+]C1 ZINC001327926788 885530313 /nfs/dbraw/zinc/53/03/13/885530313.db2.gz CBBDGIWVRYDXMT-UHFFFAOYSA-N 2 0 265.317 -0.920 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)COC1CC[NH2+]CC1 ZINC001327930004 885532055 /nfs/dbraw/zinc/53/20/55/885532055.db2.gz XSMVWZVNMCDWBQ-UHFFFAOYSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001328073135 885567480 /nfs/dbraw/zinc/56/74/80/885567480.db2.gz UXBSQYPLZMDDCA-WDEREUQCSA-N 2 0 253.346 -0.295 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001328436740 885683442 /nfs/dbraw/zinc/68/34/42/885683442.db2.gz LWLSZTDEPJWRSE-MVWJERBFSA-N 2 0 255.362 -0.064 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001328473713 885700163 /nfs/dbraw/zinc/70/01/63/885700163.db2.gz QTMKVYBVSADTCS-VIFPVBQESA-N 2 0 266.349 -0.460 20 0 CBADRP C[NH2+]CCC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001329371678 886035249 /nfs/dbraw/zinc/03/52/49/886035249.db2.gz UDKUOYZZPDPCNS-LLVKDONJSA-N 2 0 266.349 -0.490 20 0 CBADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC001330187023 886383567 /nfs/dbraw/zinc/38/35/67/886383567.db2.gz WGJVNBXEKAXKCC-LOWDOPEQSA-N 2 0 257.378 -0.605 20 0 CBADRP CNC(=O)CC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001330694973 886535475 /nfs/dbraw/zinc/53/54/75/886535475.db2.gz JJITWTCFHMYCIU-UHFFFAOYSA-N 2 0 268.405 -0.166 20 0 CBADRP C[C@@H](CCC[NH2+]CC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001330912362 886621954 /nfs/dbraw/zinc/62/19/54/886621954.db2.gz XNQYFKWQRQMBSH-NSHDSACASA-N 2 0 284.404 -0.312 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC001331321952 886776379 /nfs/dbraw/zinc/77/63/79/886776379.db2.gz GBAGWOKKJSZPGN-QCNOEVLYSA-N 2 0 255.362 -0.064 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC001331321953 886776572 /nfs/dbraw/zinc/77/65/72/886776572.db2.gz GBAGWOKKJSZPGN-USZNOCQGSA-N 2 0 255.362 -0.064 20 0 CBADRP COCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001331712370 886927223 /nfs/dbraw/zinc/92/72/23/886927223.db2.gz OBTQBULNFYFLGR-OLZOCXBDSA-N 2 0 287.404 -0.428 20 0 CBADRP CCOCC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001331834409 887006226 /nfs/dbraw/zinc/00/62/26/887006226.db2.gz HLZGUPIAHHYLJS-RYUDHWBXSA-N 2 0 273.377 -0.959 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)c1cnn(C)c1 ZINC001332399234 887261789 /nfs/dbraw/zinc/26/17/89/887261789.db2.gz DUQIDBRSPLXTDF-WCQGTBRESA-N 2 0 265.361 -0.124 20 0 CBADRP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1C[NH2+]C1 ZINC001332399589 887260387 /nfs/dbraw/zinc/26/03/87/887260387.db2.gz DRCOKHKHVFHPKL-JQWIXIFHSA-N 3 0 267.373 -0.131 20 0 CBADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(CNC(C)=O)CC1 ZINC001332627938 887381409 /nfs/dbraw/zinc/38/14/09/887381409.db2.gz NCSPWQYCUXJRRQ-ZDUSSCGKSA-N 2 0 257.378 -0.195 20 0 CBADRP CN1CCO[C@H](C(=O)N[C@H](C[NH2+]CCO)C(C)(C)C)C1 ZINC001332776441 887429073 /nfs/dbraw/zinc/42/90/73/887429073.db2.gz SXUFKPQMJGEITJ-NWDGAFQWSA-N 2 0 287.404 -0.570 20 0 CBADRP O=C(CN1CCC[C@]12CC[NH2+]C2)N1CC[NH2+]CC1 ZINC001334737534 888305108 /nfs/dbraw/zinc/30/51/08/888305108.db2.gz IRKUTVOOLSADHW-CYBMUJFWSA-N 2 0 252.362 -0.754 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001335202901 888442854 /nfs/dbraw/zinc/44/28/54/888442854.db2.gz SBFUQPWLCJTQRL-GHMZBOCLSA-N 2 0 257.382 -0.779 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001335567509 888567076 /nfs/dbraw/zinc/56/70/76/888567076.db2.gz DBLGIVOYRUZHOX-JTQLQIEISA-N 2 0 258.366 -0.127 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001335593556 888574982 /nfs/dbraw/zinc/57/49/82/888574982.db2.gz WBOPFTLEBSWMCV-VXGBXAGGSA-N 2 0 272.393 -0.151 20 0 CBADRP C[NH2+]CC1CCN(C(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001335842477 888642603 /nfs/dbraw/zinc/64/26/03/888642603.db2.gz JSMJHIPHVXHARJ-UHFFFAOYSA-N 2 0 255.362 -0.456 20 0 CBADRP [NH3+]CC1(O)CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC001336093223 888692657 /nfs/dbraw/zinc/69/26/57/888692657.db2.gz FUODFLIYQOZAFA-CHWSQXEVSA-N 3 0 269.389 -0.459 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001336689767 888846350 /nfs/dbraw/zinc/84/63/50/888846350.db2.gz SIKFPXYEMUHKQU-UHFFFAOYSA-N 2 0 285.388 -0.407 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001336743111 888868960 /nfs/dbraw/zinc/86/89/60/888868960.db2.gz VDGILDTYECHFLM-HUTHGQBESA-N 2 0 261.391 -0.707 20 0 CBADRP CCO[C@@H](CNC(=O)NC/C=C\C[NH3+])C[NH+](C)C ZINC001336901976 888913040 /nfs/dbraw/zinc/91/30/40/888913040.db2.gz YZFULMVISFXCBJ-GZTOBOFZSA-N 2 0 258.366 -0.233 20 0 CBADRP C[C@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[C@H]1C[NH3+] ZINC001336901741 888913358 /nfs/dbraw/zinc/91/33/58/888913358.db2.gz YVONJUMAQJVWAW-KKJSVHSVSA-N 2 0 252.362 -0.170 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001336977587 888941924 /nfs/dbraw/zinc/94/19/24/888941924.db2.gz ZGMVSZKBPIEESA-NSHDSACASA-N 2 0 255.362 -0.179 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC001336977999 888939527 /nfs/dbraw/zinc/93/95/27/888939527.db2.gz OGVKLAIIDBTALV-QWRGUYRKSA-N 2 0 259.350 -0.813 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001337441605 889010997 /nfs/dbraw/zinc/01/09/97/889010997.db2.gz UKXZGWFKDBUEQN-SRVKXCTJSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH2+]CCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001338627709 889182885 /nfs/dbraw/zinc/18/28/85/889182885.db2.gz XBWFJFOTFWRJRW-RYUDHWBXSA-N 2 0 270.377 -0.554 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC001338639841 889183358 /nfs/dbraw/zinc/18/33/58/889183358.db2.gz AUYLHSIVYHWOCR-GMTAPVOTSA-N 2 0 258.366 -0.258 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001338660116 889190133 /nfs/dbraw/zinc/19/01/33/889190133.db2.gz KILHIZYSMCQPDA-JTQLQIEISA-N 2 0 258.366 -0.256 20 0 CBADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@H]([NH3+])CO)C1 ZINC001340041184 889367988 /nfs/dbraw/zinc/36/79/88/889367988.db2.gz GLRWYIRKZLBUNV-SDDRHHMPSA-N 2 0 257.378 -0.210 20 0 CBADRP CC1(NC(=O)C[C@@]2(O)CCC[NH2+]C2)CC[NH2+]CC1 ZINC001340147792 889394360 /nfs/dbraw/zinc/39/43/60/889394360.db2.gz PGCBQNICHZPZJX-ZDUSSCGKSA-N 2 0 255.362 -0.251 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001340214388 889412376 /nfs/dbraw/zinc/41/23/76/889412376.db2.gz RGNQSBQFUWKVIE-UHFFFAOYSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CN1CCC(CO)CC1 ZINC001340350806 889424184 /nfs/dbraw/zinc/42/41/84/889424184.db2.gz ZLERSEYWAILANS-AAEUAGOBSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC[NH2+]CC1 ZINC001340461915 889432793 /nfs/dbraw/zinc/43/27/93/889432793.db2.gz KMIRXZVSSIIFID-NWDGAFQWSA-N 2 0 252.362 -0.803 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@H]1C[NH2+]CCC1(F)F ZINC001340617974 889457167 /nfs/dbraw/zinc/45/71/67/889457167.db2.gz ZTNFUPYBCDVDPH-DTWKUNHWSA-N 2 0 275.299 -0.522 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001340735325 889477018 /nfs/dbraw/zinc/47/70/18/889477018.db2.gz MHFJFUBYKIGKIH-GHMZBOCLSA-N 2 0 269.345 -0.998 20 0 CBADRP [NH3+]CC1(C(=O)NCC[NH+]2CCCCC2)CC(O)C1 ZINC001340789289 889487301 /nfs/dbraw/zinc/48/73/01/889487301.db2.gz JSENLWCLFCGLMX-UHFFFAOYSA-N 2 0 255.362 -0.312 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC001340839538 889495746 /nfs/dbraw/zinc/49/57/46/889495746.db2.gz TVBQGZSHZGSNIK-WDEREUQCSA-N 2 0 257.378 -0.245 20 0 CBADRP C[NH2+]C1CC(C(=O)N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC001340852575 889498057 /nfs/dbraw/zinc/49/80/57/889498057.db2.gz HZTNDLVSDVDMQV-CXQJBGSLSA-N 2 0 255.362 -0.179 20 0 CBADRP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NC(=O)CNCC[NH3+] ZINC001340847073 889498076 /nfs/dbraw/zinc/49/80/76/889498076.db2.gz NEPYQQNCSXLQTM-JLLWLGSASA-N 2 0 254.378 -0.573 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001340852584 889498293 /nfs/dbraw/zinc/49/82/93/889498293.db2.gz IBHDZRPGJFATSS-RTXFEEFZSA-N 2 0 269.389 -0.197 20 0 CBADRP C[C@]1(C(=O)N[C@H]2CC[NH2+]C23CCC3)C[C@@H](O)C[NH2+]1 ZINC001340823742 889492962 /nfs/dbraw/zinc/49/29/62/889492962.db2.gz HAPCOVMVKRJLML-JFGNBEQYSA-N 2 0 253.346 -0.500 20 0 CBADRP CC(C)(C[NH3+])CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001340932271 889517347 /nfs/dbraw/zinc/51/73/47/889517347.db2.gz VHKSNLAROXSFGI-GFCCVEGCSA-N 2 0 268.405 -0.133 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC001340942969 889519169 /nfs/dbraw/zinc/51/91/69/889519169.db2.gz GKWCLFYYIYWTOJ-WDEREUQCSA-N 2 0 254.378 -0.606 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC001340945385 889519731 /nfs/dbraw/zinc/51/97/31/889519731.db2.gz RHBOTXZTIAWMOF-HRDYMLBCSA-N 2 0 265.304 -0.684 20 0 CBADRP C[C@H](CC(=O)N1CC[NH2+]C[C@H]1CO)C1CC[NH2+]CC1 ZINC001340954490 889521513 /nfs/dbraw/zinc/52/15/13/889521513.db2.gz RJCHXRAUQDJYRC-YPMHNXCESA-N 2 0 269.389 -0.195 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)[C@@H](C)C[NH3+])C2 ZINC001341025873 889533234 /nfs/dbraw/zinc/53/32/34/889533234.db2.gz PGYSOVOYDRZJGH-XHSYRHOGSA-N 2 0 269.345 -0.680 20 0 CBADRP O=C(NCC[C@H]1CSCC[NH2+]1)[C@@H]1C[NH2+]CCO1 ZINC001341148356 889550142 /nfs/dbraw/zinc/55/01/42/889550142.db2.gz KVROJLFUQAIHIQ-UWVGGRQHSA-N 2 0 259.375 -0.814 20 0 CBADRP C[C@]1(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@H](O)C[NH2+]1 ZINC001341271641 889568470 /nfs/dbraw/zinc/56/84/70/889568470.db2.gz JIDXDNUTZMRCJV-SRRSOLGSSA-N 2 0 253.346 -0.833 20 0 CBADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001341365687 889582186 /nfs/dbraw/zinc/58/21/86/889582186.db2.gz CPWRSNJPPSNLAB-GHMZBOCLSA-N 2 0 255.362 -0.003 20 0 CBADRP C[C@H](CC(=O)N[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1CCC[NH2+]C1 ZINC001341416906 889591905 /nfs/dbraw/zinc/59/19/05/889591905.db2.gz DHEJYOVXUBXJQV-KXNHARMFSA-N 2 0 255.362 -0.539 20 0 CBADRP [NH3+]CCCOCCNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001341472625 889604161 /nfs/dbraw/zinc/60/41/61/889604161.db2.gz KLUCJBPLCFGEKE-CYBMUJFWSA-N 2 0 284.360 -0.634 20 0 CBADRP C[C@@H]1C[C@H](C(=O)NCC2([NH3+])CCOCC2)CC[NH2+]1 ZINC001341458658 889600474 /nfs/dbraw/zinc/60/04/74/889600474.db2.gz SRQPSIXKISWIAY-GHMZBOCLSA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001341516101 889611026 /nfs/dbraw/zinc/61/10/26/889611026.db2.gz PRLDATDFJVQGET-GFCCVEGCSA-N 2 0 298.431 -0.112 20 0 CBADRP CN1CCN(C)CCN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC001341511929 889612287 /nfs/dbraw/zinc/61/22/87/889612287.db2.gz MOPKIMQFNAMGDI-OLZOCXBDSA-N 2 0 286.395 -0.360 20 0 CBADRP CC1CC[NH+](CCNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001341556254 889623852 /nfs/dbraw/zinc/62/38/52/889623852.db2.gz XSTAVSFZEKRHSM-OCCSQVGLSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001341620873 889634026 /nfs/dbraw/zinc/63/40/26/889634026.db2.gz ZUOBLAIJUINKLS-NTZNESFSSA-N 2 0 255.362 -0.443 20 0 CBADRP C[N@H+](CCNC(=O)[C@H]([NH3+])CO)Cc1ccc(F)cc1 ZINC001341620090 889634143 /nfs/dbraw/zinc/63/41/43/889634143.db2.gz SDEYDYNRFVXXSR-GFCCVEGCSA-N 2 0 269.320 -0.307 20 0 CBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)CNCC[NH3+] ZINC001341614793 889634875 /nfs/dbraw/zinc/63/48/75/889634875.db2.gz RAKTYYTUSCOQBL-LBPRGKRZSA-N 2 0 256.394 -0.085 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1)C1CC1 ZINC001341657961 889642947 /nfs/dbraw/zinc/64/29/47/889642947.db2.gz DGUFCUKDGPUEQD-DMDPSCGWSA-N 2 0 255.362 -0.444 20 0 CBADRP C[NH+](C)CCNC(=O)c1cc2n(n1)CCC[C@@H]2[NH3+] ZINC001341673338 889645948 /nfs/dbraw/zinc/64/59/48/889645948.db2.gz CQVASWLVGFEBCM-VIFPVBQESA-N 2 0 251.334 -0.032 20 0 CBADRP C[NH2+]CCC1CCN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001341748747 889657258 /nfs/dbraw/zinc/65/72/58/889657258.db2.gz SBKNONRUGRVBPQ-GXTWGEPZSA-N 2 0 269.389 -0.053 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001341753646 889657412 /nfs/dbraw/zinc/65/74/12/889657412.db2.gz SMGWKKPTYQMENG-MFKMUULPSA-N 2 0 269.345 -0.521 20 0 CBADRP O=C(N1CCNCC[NH2+]CC1)C1([NH2+]C2CC2)CCC1 ZINC001341841959 889670340 /nfs/dbraw/zinc/67/03/40/889670340.db2.gz XQRQZALSAOVFAQ-UHFFFAOYSA-N 2 0 266.389 -0.318 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C1(C[NH3+])CC(O)C1 ZINC001341890562 889679675 /nfs/dbraw/zinc/67/96/75/889679675.db2.gz FHQNQAOACZZXQR-UHFFFAOYSA-N 2 0 255.362 -0.361 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)C[C@H]1C[NH3+] ZINC001341896809 889681629 /nfs/dbraw/zinc/68/16/29/889681629.db2.gz COMJKFKFUMNHHC-UTUOFQBUSA-N 2 0 267.373 -0.192 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)C[C@@H](O)C[NH3+])cn1 ZINC001342010438 889697475 /nfs/dbraw/zinc/69/74/75/889697475.db2.gz BMCQRNGAHOGGSN-SNVBAGLBSA-N 2 0 255.322 -0.907 20 0 CBADRP COC1(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001342113300 889713390 /nfs/dbraw/zinc/71/33/90/889713390.db2.gz PHVYGDXKFGIFLY-SNVBAGLBSA-N 2 0 269.345 -0.998 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001342176727 889725799 /nfs/dbraw/zinc/72/57/99/889725799.db2.gz URAZDRADWKENAI-FIQHERPVSA-N 2 0 253.346 -0.548 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001342297905 889750045 /nfs/dbraw/zinc/75/00/45/889750045.db2.gz BOJMUZOZNHTGDY-RNCFNFMXSA-N 2 0 266.345 -0.772 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001342392474 889767241 /nfs/dbraw/zinc/76/72/41/889767241.db2.gz OQCDWQAPQNESER-WJTVCTBASA-N 2 0 269.389 -0.150 20 0 CBADRP CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)NC ZINC001443985134 912319750 /nfs/dbraw/zinc/31/97/50/912319750.db2.gz UXLPNYRDJQNBPY-NSHDSACASA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[NH2+]C[C@@H]1CO ZINC001342437113 889775176 /nfs/dbraw/zinc/77/51/76/889775176.db2.gz COLOOQYNGKCDKG-GHMZBOCLSA-N 2 0 257.378 -0.197 20 0 CBADRP CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC(N)=O ZINC001444013698 912323586 /nfs/dbraw/zinc/32/35/86/912323586.db2.gz PENYOVSIHMBQPO-GFCCVEGCSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001342641744 889807964 /nfs/dbraw/zinc/80/79/64/889807964.db2.gz IEIAOZPSZKEUBZ-TVQRCGJNSA-N 2 0 263.345 -0.280 20 0 CBADRP CCO[C@@H](CNC(=O)C12CC(C1)C[NH2+]2)C[NH+](C)C ZINC001342667116 889812704 /nfs/dbraw/zinc/81/27/04/889812704.db2.gz XLSDSHHPVURUSP-AKJDGMEZSA-N 2 0 255.362 -0.179 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC001342720965 889821731 /nfs/dbraw/zinc/82/17/31/889821731.db2.gz ARFKCVMRAKRWBG-YPMHNXCESA-N 2 0 255.362 -0.312 20 0 CBADRP CCC[N@H+](C)CC(=O)NC1(C[NH2+]CC(N)=O)CCCC1 ZINC001444077340 912352025 /nfs/dbraw/zinc/35/20/25/912352025.db2.gz BFVQSXBOMBCNAD-UHFFFAOYSA-N 2 0 284.404 -0.168 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001342994125 889851422 /nfs/dbraw/zinc/85/14/22/889851422.db2.gz LUGYUBLNTBPOLH-OWTLIXCDSA-N 2 0 269.389 -0.387 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC001343022615 889858546 /nfs/dbraw/zinc/85/85/46/889858546.db2.gz RFLLWNPHXGCKNZ-GRYCIOLGSA-N 2 0 257.378 -0.339 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC001343440038 889908701 /nfs/dbraw/zinc/90/87/01/889908701.db2.gz VECHPBTVFHQNQD-SRVKXCTJSA-N 2 0 257.378 -0.339 20 0 CBADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C[C@H](O)C[NH3+])C1 ZINC001343445748 889909306 /nfs/dbraw/zinc/90/93/06/889909306.db2.gz XYKXACOEQJYVDV-OLZOCXBDSA-N 2 0 269.389 -0.114 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001343466518 889914803 /nfs/dbraw/zinc/91/48/03/889914803.db2.gz HEITXHQCKPQNKB-GVXVVHGQSA-N 2 0 255.362 -0.585 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCN2C)CC[C@@H]1[NH3+] ZINC001343486547 889920250 /nfs/dbraw/zinc/92/02/50/889920250.db2.gz KXLSQLFKZCEOKH-WOPDTQHZSA-N 2 0 254.378 -0.524 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001444310346 912421991 /nfs/dbraw/zinc/42/19/91/912421991.db2.gz QLDRLXPFYPXMLM-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001444310344 912423098 /nfs/dbraw/zinc/42/30/98/912423098.db2.gz QLDRLXPFYPXMLM-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001444313119 912423540 /nfs/dbraw/zinc/42/35/40/912423540.db2.gz YDTIPZWMZKSQNH-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ncnn1C ZINC001444374236 912436732 /nfs/dbraw/zinc/43/67/32/912436732.db2.gz CHNPZTCDJXKAHB-NSHDSACASA-N 2 0 282.392 -0.391 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001444389444 912438438 /nfs/dbraw/zinc/43/84/38/912438438.db2.gz NDWLXSFXIYGGCP-LLVKDONJSA-N 2 0 282.388 -0.830 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001444429457 912447622 /nfs/dbraw/zinc/44/76/22/912447622.db2.gz CKUOPZFWTWDKNA-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CN1C(=O)CC[NH+](C)C ZINC001444449549 912452891 /nfs/dbraw/zinc/45/28/91/912452891.db2.gz JKIKPDFLTGLTQD-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001344345534 890016797 /nfs/dbraw/zinc/01/67/97/890016797.db2.gz YAELCDPGWUSBDM-LLVKDONJSA-N 2 0 271.361 -0.893 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001444701243 912493190 /nfs/dbraw/zinc/49/31/90/912493190.db2.gz YLFVSUOJHJZJLK-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP [NH3+]CC1CC([NH2+]CC[C@H]2CNCCS2(=O)=O)C1 ZINC001345159302 890104703 /nfs/dbraw/zinc/10/47/03/890104703.db2.gz FSZUQNRVUNDPIJ-ILDUYXDCSA-N 2 0 261.391 -0.910 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC(N)=O ZINC001444796048 912504970 /nfs/dbraw/zinc/50/49/70/912504970.db2.gz ZEEBXQDXGGQHRE-MNOVXSKESA-N 2 0 270.377 -0.750 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC001345600138 890144705 /nfs/dbraw/zinc/14/47/05/890144705.db2.gz AOMJDUZFPBDAEU-GMXVVIOVSA-N 2 0 254.378 -0.395 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCCCCO)CC1 ZINC001345944622 890181990 /nfs/dbraw/zinc/18/19/90/890181990.db2.gz STXLMQGKAFLABY-CQSZACIVSA-N 2 0 273.421 -0.263 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC(N)=O)C1 ZINC001445148412 912579856 /nfs/dbraw/zinc/57/98/56/912579856.db2.gz XFPWVHSOEHHOCH-NEPJUHHUSA-N 2 0 282.388 -0.654 20 0 CBADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(Cn2cnnc2)CC1 ZINC001346218297 890241122 /nfs/dbraw/zinc/24/11/22/890241122.db2.gz KXFWFBJMGZLUHI-ZDUSSCGKSA-N 2 0 267.377 -0.040 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC1CCOCC1 ZINC001445165886 912594931 /nfs/dbraw/zinc/59/49/31/912594931.db2.gz XUJLOFAVTIJHRT-KGLIPLIRSA-N 2 0 299.415 -0.426 20 0 CBADRP CO[C@@H](C)C[NH2+]C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001445200529 912599902 /nfs/dbraw/zinc/59/99/02/912599902.db2.gz UBPQEMCDNXFBNS-NWDGAFQWSA-N 2 0 287.404 -0.428 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001346430955 890287146 /nfs/dbraw/zinc/28/71/46/890287146.db2.gz UOZJJLWVSOXXQW-SRVKXCTJSA-N 2 0 255.362 -0.144 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001445332747 912638043 /nfs/dbraw/zinc/63/80/43/912638043.db2.gz YQINNISRVVIZIM-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001445425629 912660509 /nfs/dbraw/zinc/66/05/09/912660509.db2.gz YMSVDKKVXOPRHC-WOPDTQHZSA-N 2 0 282.388 -0.547 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC001347157461 890417843 /nfs/dbraw/zinc/41/78/43/890417843.db2.gz LSJLNGSYTAYAML-SRVKXCTJSA-N 2 0 255.362 -0.062 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001445535832 912692601 /nfs/dbraw/zinc/69/26/01/912692601.db2.gz VXYQDFIXLRNPIM-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001445646102 912723241 /nfs/dbraw/zinc/72/32/41/912723241.db2.gz JDBIOKJVGFOLOC-YNEHKIRRSA-N 2 0 287.404 -0.570 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001445989455 912795291 /nfs/dbraw/zinc/79/52/91/912795291.db2.gz PWWBQCRKFKFVOH-YPMHNXCESA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1)[NH+]1CCCCCC1 ZINC001020674349 884613224 /nfs/dbraw/zinc/61/32/24/884613224.db2.gz WFMXQSRGYSVKIU-JHJVBQTASA-N 2 0 296.415 -0.027 20 0 CBADRP Cn1nncc1C[NH2+]C1(CNC(=O)CCC[NH+](C)C)CC1 ZINC001446229167 912844890 /nfs/dbraw/zinc/84/48/90/912844890.db2.gz SLRDLINKPPASSF-UHFFFAOYSA-N 2 0 294.403 -0.105 20 0 CBADRP Cn1cc(C[NH2+]CCNC(=O)CCc2c[nH]cn2)cn1 ZINC001128986139 884668516 /nfs/dbraw/zinc/66/85/16/884668516.db2.gz ITONTBZMSKNCRV-UHFFFAOYSA-N 2 0 276.344 -0.018 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152426130 884676389 /nfs/dbraw/zinc/67/63/89/884676389.db2.gz DAXQCTCGFVEPJC-UHFFFAOYSA-N 2 0 275.393 -0.305 20 0 CBADRP CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176565791 884704107 /nfs/dbraw/zinc/70/41/07/884704107.db2.gz XHVZGVHOVWNKML-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001188158233 884722114 /nfs/dbraw/zinc/72/21/14/884722114.db2.gz ISGQVJBKYGKZDB-CHWSQXEVSA-N 2 0 296.415 -0.204 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001210811626 884766191 /nfs/dbraw/zinc/76/61/91/884766191.db2.gz PJRBIGIPNFENAS-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378537 884778814 /nfs/dbraw/zinc/77/88/14/884778814.db2.gz VLINCDDGZXPNPO-YNEHKIRRSA-N 2 0 287.404 -0.212 20 0 CBADRP C=C(N)C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796218 884792753 /nfs/dbraw/zinc/79/27/53/884792753.db2.gz RHYNHFWTKBBGAA-UHFFFAOYSA-N 2 0 252.362 -0.209 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC001326049124 884885856 /nfs/dbraw/zinc/88/58/56/884885856.db2.gz ZGRQLGJGYZCEEY-NSHDSACASA-N 2 0 280.376 -0.159 20 0 CBADRP C[NH2+]CCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001326047213 884886798 /nfs/dbraw/zinc/88/67/98/884886798.db2.gz LDWFQXKKYMSXNC-UHFFFAOYSA-N 2 0 252.322 -0.848 20 0 CBADRP C[C@H]1CN(C(=O)COC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC001326074239 884896637 /nfs/dbraw/zinc/89/66/37/884896637.db2.gz KAMJLWMYYWPOQO-JQWIXIFHSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1CC2(CN1C(=O)CNC(=O)C[NH3+])CC[NH2+]CC2 ZINC001326143182 884919506 /nfs/dbraw/zinc/91/95/06/884919506.db2.gz BHMGMBIUNPTSIY-SNVBAGLBSA-N 2 0 268.361 -0.948 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001326146228 884920438 /nfs/dbraw/zinc/92/04/38/884920438.db2.gz FKAGGRJELJOTBP-DCAQKATOSA-N 2 0 270.377 -0.561 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001326165138 884930318 /nfs/dbraw/zinc/93/03/18/884930318.db2.gz IQGGLBDLWDGWHH-NXEZZACHSA-N 2 0 261.391 -0.357 20 0 CBADRP [NH3+]CCc1nc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC001326205194 884941169 /nfs/dbraw/zinc/94/11/69/884941169.db2.gz ZZTDZEHAPLUQFH-DTORHVGOSA-N 2 0 266.370 -0.064 20 0 CBADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)CCC1 ZINC001446435032 912880317 /nfs/dbraw/zinc/88/03/17/912880317.db2.gz OCOHBDZUMNFHOW-LLVKDONJSA-N 2 0 282.388 -0.463 20 0 CBADRP [NH3+]CCCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001326261619 884961849 /nfs/dbraw/zinc/96/18/49/884961849.db2.gz SVLODQCISXDCJM-SECBINFHSA-N 2 0 252.322 -0.719 20 0 CBADRP C[C@H]1CCCN(CC(=O)N2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC001326275868 884964679 /nfs/dbraw/zinc/96/46/79/884964679.db2.gz NVXXUTUKNUHPEY-NWDGAFQWSA-N 2 0 254.378 -0.523 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001326299666 884976695 /nfs/dbraw/zinc/97/66/95/884976695.db2.gz TXTGHVXYDFMMLS-MXWKQRLJSA-N 2 0 269.345 -0.380 20 0 CBADRP CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC001326310043 884978968 /nfs/dbraw/zinc/97/89/68/884978968.db2.gz USPVFZRJPCZYFO-UWVGGRQHSA-N 2 0 269.345 -0.652 20 0 CBADRP CCOC(=O)[C@@H]1CNCCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC001326310161 884980978 /nfs/dbraw/zinc/98/09/78/884980978.db2.gz WNCAGWRFNMBRJI-AEJSXWLSSA-N 2 0 255.318 -0.913 20 0 CBADRP COCCOC[C@@H]1CC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001326308846 884981588 /nfs/dbraw/zinc/98/15/88/884981588.db2.gz FWBJIWUNGRWPCF-CYBMUJFWSA-N 2 0 285.388 -0.597 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC001326354791 884999663 /nfs/dbraw/zinc/99/96/63/884999663.db2.gz ZJMRUMBAQWPUCQ-NEPJUHHUSA-N 2 0 263.345 -0.019 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC001326372342 885005968 /nfs/dbraw/zinc/00/59/68/885005968.db2.gz QUYZJKOFCIWSCI-MCIONIFRSA-N 2 0 280.416 -0.119 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC001326369128 885008549 /nfs/dbraw/zinc/00/85/49/885008549.db2.gz CHGVMGFAQRENEH-OLZOCXBDSA-N 2 0 268.405 -0.262 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC001326369569 885009131 /nfs/dbraw/zinc/00/91/31/885009131.db2.gz PHEUNNZBLHIDMT-UHFFFAOYSA-N 2 0 268.361 -0.948 20 0 CBADRP C[NH2+]CCN(C)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC001326376056 885010525 /nfs/dbraw/zinc/01/05/25/885010525.db2.gz RSZLSCIWNFKLBB-SECBINFHSA-N 2 0 251.334 -0.222 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC001326409497 885020708 /nfs/dbraw/zinc/02/07/08/885020708.db2.gz YXGAJOZSUPXZTE-IJLUTSLNSA-N 2 0 255.362 -0.036 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+]CCC2(C[NH3+])CC2)C1 ZINC001326412922 885021100 /nfs/dbraw/zinc/02/11/00/885021100.db2.gz DQFHLZMBGHMUBM-LBPRGKRZSA-N 3 0 268.405 -0.098 20 0 CBADRP COCC[NH2+]C1CCN(CCN2CC[NH2+]CC2)CC1 ZINC001326486713 885042401 /nfs/dbraw/zinc/04/24/01/885042401.db2.gz HXABHMZYULTLRO-UHFFFAOYSA-N 2 0 270.421 -0.408 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001326547119 885061561 /nfs/dbraw/zinc/06/15/61/885061561.db2.gz CFWYHYACJANZOC-JTQLQIEISA-N 2 0 296.375 -0.763 20 0 CBADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCC[NH2+]CC1 ZINC001326568209 885067799 /nfs/dbraw/zinc/06/77/99/885067799.db2.gz WYUAAOFRHIWYTO-SNVBAGLBSA-N 2 0 263.345 -0.078 20 0 CBADRP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Cn1ccnn1 ZINC001326582810 885074925 /nfs/dbraw/zinc/07/49/25/885074925.db2.gz RYVVCVXGLRQASH-UMSGYPCISA-N 2 0 265.361 -0.383 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N[C@H]2CCC[NH2+]CC2)nn1 ZINC001326599912 885081985 /nfs/dbraw/zinc/08/19/85/885081985.db2.gz VXWNNUCOLPFJMV-NSHDSACASA-N 2 0 280.376 -0.111 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC001326606678 885085173 /nfs/dbraw/zinc/08/51/73/885085173.db2.gz NPBNREDBLFMFIW-NWDGAFQWSA-N 2 0 256.394 -0.086 20 0 CBADRP CC(C)C[NH2+]CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001326612416 885089375 /nfs/dbraw/zinc/08/93/75/885089375.db2.gz SSQVAOJMJPPBDY-ZDUSSCGKSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC001326625349 885093558 /nfs/dbraw/zinc/09/35/58/885093558.db2.gz BPXJHVLQPASZCS-SRVKXCTJSA-N 2 0 256.394 -0.149 20 0 CBADRP C[C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)N1CC[NH+](C)CC1 ZINC001326625397 885093616 /nfs/dbraw/zinc/09/36/16/885093616.db2.gz DHYQNWDIRHMNMF-STQMWFEESA-N 2 0 285.436 -0.983 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC001326744665 885127119 /nfs/dbraw/zinc/12/71/19/885127119.db2.gz AMTFDTSMMVHLGQ-GMTAPVOTSA-N 2 0 268.361 -0.807 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001326806028 885155695 /nfs/dbraw/zinc/15/56/95/885155695.db2.gz DSOVIYYEVCFBAF-GARJFASQSA-N 2 0 270.377 -0.752 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[C@H]1[NH3+] ZINC001326808107 885160000 /nfs/dbraw/zinc/16/00/00/885160000.db2.gz YGXNMODRLLGNOQ-FVCCEPFGSA-N 2 0 296.415 -0.362 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(C[NH3+])o2)CCO1 ZINC001326833837 885168160 /nfs/dbraw/zinc/16/81/60/885168160.db2.gz JDIQLDWUTZOXFB-KCJUWKMLSA-N 2 0 253.302 -0.074 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N[C@H]2CC23CC[NH2+]CC3)nn1 ZINC001326898458 885188621 /nfs/dbraw/zinc/18/86/21/885188621.db2.gz KLCUWCZXZLYACE-LBPRGKRZSA-N 2 0 292.387 -0.111 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001326988877 885213998 /nfs/dbraw/zinc/21/39/98/885213998.db2.gz DSRONJZLCIGGJS-UONOGXRCSA-N 2 0 299.415 -0.330 20 0 CBADRP C[NH+]1CCC(CNC(N)=[NH2+])(N2CCOCC2)CC1 ZINC001327018291 885225648 /nfs/dbraw/zinc/22/56/48/885225648.db2.gz PVHZBVWYJYMANP-UHFFFAOYSA-N 2 0 255.366 -0.734 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCO[C@@H](C[NH2+]CCF)C1 ZINC001327062969 885240538 /nfs/dbraw/zinc/24/05/38/885240538.db2.gz FMQJZUSKDHFEIQ-LBPRGKRZSA-N 2 0 273.352 -0.131 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C1([NH3+])CC1 ZINC001327120898 885266302 /nfs/dbraw/zinc/26/63/02/885266302.db2.gz IBYBANVHOWNCEM-UHFFFAOYSA-N 2 0 254.378 -0.426 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N[C@H](C[NH3+])C(F)(F)F)nn1 ZINC001327131388 885267848 /nfs/dbraw/zinc/26/78/48/885267848.db2.gz QRNKOCZGKXGYBW-MRVPVSSYSA-N 2 0 294.281 -0.364 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001327471963 885366839 /nfs/dbraw/zinc/36/68/39/885366839.db2.gz PAHRZSDSFFWSOI-GRYCIOLGSA-N 2 0 280.372 -0.793 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001327503267 885378847 /nfs/dbraw/zinc/37/88/47/885378847.db2.gz KNSNMPBAEWHSSR-UPJWGTAASA-N 2 0 296.415 -0.156 20 0 CBADRP CN(C(=O)c1cn(CC[NH3+])nn1)[C@H](C[NH3+])C1CC1 ZINC001327569310 885407956 /nfs/dbraw/zinc/40/79/56/885407956.db2.gz GRFQCORGNWVMMA-SNVBAGLBSA-N 2 0 252.322 -0.954 20 0 CBADRP CC[N@H+](CCNC(=O)C1=NO[C@@H](C[NH3+])C1)C(C)C ZINC001327601152 885426814 /nfs/dbraw/zinc/42/68/14/885426814.db2.gz GZGURCZJSYKWQH-SNVBAGLBSA-N 2 0 256.350 -0.064 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001327613628 885430209 /nfs/dbraw/zinc/43/02/09/885430209.db2.gz JCXQCLKDAJHOAA-NSHDSACASA-N 2 0 270.377 -0.796 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@]2(O)CC[N@H+](CCCO)C2)CCC1 ZINC001446758090 912937925 /nfs/dbraw/zinc/93/79/25/912937925.db2.gz MVRNWFKPGPGCSB-CQSZACIVSA-N 2 0 299.415 -0.594 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](C[C@@H](C)O)C1 ZINC001446788191 912950267 /nfs/dbraw/zinc/95/02/67/912950267.db2.gz BCERVYVKUKUPNS-OCCSQVGLSA-N 2 0 287.404 -0.738 20 0 CBADRP C[C@@H]1CCN(CC(=O)N2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC001327916161 885523375 /nfs/dbraw/zinc/52/33/75/885523375.db2.gz FNCVUPFQTDYSQK-NEPJUHHUSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001327929206 885532292 /nfs/dbraw/zinc/53/22/92/885532292.db2.gz PTMWYQWFOZYUDO-QMMMGPOBSA-N 2 0 252.322 -0.720 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NC[C@H]([NH3+])C2CC2)nn1 ZINC001328236416 885608556 /nfs/dbraw/zinc/60/85/56/885608556.db2.gz PHFGAOFHDLSRAM-VIFPVBQESA-N 2 0 252.322 -0.906 20 0 CBADRP CCN(C(=O)C(=O)N(C)CC1C[NH+](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC001328282754 885621392 /nfs/dbraw/zinc/62/13/92/885621392.db2.gz PVHXDDGRKHGVNG-CYBMUJFWSA-N 2 0 296.415 -0.441 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])CC(F)F)CCCO1 ZINC001328340305 885641743 /nfs/dbraw/zinc/64/17/43/885641743.db2.gz RRDPJNDXACDVFU-YUMQZZPRSA-N 2 0 251.277 -0.455 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001328436749 885685167 /nfs/dbraw/zinc/68/51/67/885685167.db2.gz LWLSZTDEPJWRSE-ZMLRMANQSA-N 2 0 255.362 -0.064 20 0 CBADRP [NH3+]CC1(O)CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC001328438426 885686746 /nfs/dbraw/zinc/68/67/46/885686746.db2.gz YHTKGDNTWGZAOR-LLVKDONJSA-N 3 0 255.362 -0.707 20 0 CBADRP O[C@@H]1CCC[C@H]1[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC001328438518 885687681 /nfs/dbraw/zinc/68/76/81/885687681.db2.gz ZTUJOXHHXHTDGR-BFHYXJOUSA-N 2 0 269.389 -0.494 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC001328455021 885692644 /nfs/dbraw/zinc/69/26/44/885692644.db2.gz MVRAKQNSECWDJR-KBPBESRZSA-N 2 0 298.431 -0.506 20 0 CBADRP O=C(CC[C@H]1CC[NH2+]C1)N1CCOC2(C[NH2+]C2)C1 ZINC001328506225 885711724 /nfs/dbraw/zinc/71/17/24/885711724.db2.gz BJZNQIAKAONLJY-NSHDSACASA-N 2 0 253.346 -0.423 20 0 CBADRP COC1(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC[NH2+]CC1 ZINC001328524894 885715349 /nfs/dbraw/zinc/71/53/49/885715349.db2.gz MRWBTGGZAWRORE-QWRGUYRKSA-N 2 0 255.362 -0.001 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001328773640 885809025 /nfs/dbraw/zinc/80/90/25/885809025.db2.gz XAJINDRGHDJKPH-OLZOCXBDSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001328959600 885860365 /nfs/dbraw/zinc/86/03/65/885860365.db2.gz RHWVECPIWSGJEU-SNVBAGLBSA-N 2 0 296.375 -0.811 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001446938666 912982981 /nfs/dbraw/zinc/98/29/81/912982981.db2.gz NKTSDICERDCAIY-DGCLKSJQSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC001329223827 885970616 /nfs/dbraw/zinc/97/06/16/885970616.db2.gz WGJVNBXEKAXKCC-WUHRBBMRSA-N 2 0 257.378 -0.605 20 0 CBADRP c1c(C[C@H]2CC[NH2+]C2)nnn1C[C@H]1C[NH2+]CCO1 ZINC001329244871 885978342 /nfs/dbraw/zinc/97/83/42/885978342.db2.gz FUCUWHBZUKKGBD-ZYHUDNBSSA-N 2 0 251.334 -0.582 20 0 CBADRP COCC[NH2+]CCc1cn(CCN2CC[NH+](C)CC2)nn1 ZINC001329245479 885981118 /nfs/dbraw/zinc/98/11/18/885981118.db2.gz PBWPKHHLSOOCPK-UHFFFAOYSA-N 2 0 296.419 -0.696 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)c2cn(CCC[NH3+])nn2)C1 ZINC001329259818 885985292 /nfs/dbraw/zinc/98/52/92/885985292.db2.gz QJYLREGVAKIUSS-SECBINFHSA-N 2 0 252.322 -0.939 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NCC[C@H]2CC[NH2+]C2)nn1 ZINC001329297159 886003633 /nfs/dbraw/zinc/00/36/33/886003633.db2.gz CVDAXTTYHXSANC-SNVBAGLBSA-N 2 0 266.349 -0.644 20 0 CBADRP CC(C)([NH3+])CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001329300867 886003817 /nfs/dbraw/zinc/00/38/17/886003817.db2.gz AOHCRHSWQNPVQN-UHFFFAOYSA-N 2 0 266.349 -0.330 20 0 CBADRP O=C(COC1CC[NH2+]CC1)NCC1=CC[NH2+]CC1 ZINC001329313455 886010193 /nfs/dbraw/zinc/01/01/93/886010193.db2.gz AUZBWSYGTWZTCF-UHFFFAOYSA-N 2 0 253.346 -0.209 20 0 CBADRP C[NH2+]CCC(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001329371679 886035483 /nfs/dbraw/zinc/03/54/83/886035483.db2.gz UDKUOYZZPDPCNS-NSHDSACASA-N 2 0 266.349 -0.490 20 0 CBADRP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC001329480963 886087993 /nfs/dbraw/zinc/08/79/93/886087993.db2.gz KTUZIIWFZGJFTK-TUAOUCFPSA-N 2 0 282.388 -0.594 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001329484686 886089825 /nfs/dbraw/zinc/08/98/25/886089825.db2.gz SKEGJBVFAWKGLS-STQMWFEESA-N 2 0 268.405 -0.133 20 0 CBADRP [NH3+]CCN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001329499010 886097449 /nfs/dbraw/zinc/09/74/49/886097449.db2.gz LJDGWALLHMHEJG-NEPJUHHUSA-N 2 0 267.377 -0.835 20 0 CBADRP COC1(C(=O)NCC[C@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC001329546769 886115221 /nfs/dbraw/zinc/11/52/21/886115221.db2.gz YJJWFYSVMICKIB-LLVKDONJSA-N 2 0 255.362 -0.129 20 0 CBADRP [NH3+]CCOCC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001329564198 886124783 /nfs/dbraw/zinc/12/47/83/886124783.db2.gz JEEOQQAPWFQEHF-CYBMUJFWSA-N 2 0 285.388 -0.279 20 0 CBADRP CC(C)(CO)[NH+]1CCN(CCN2CC[NH2+]CC2)CC1 ZINC001329578903 886131128 /nfs/dbraw/zinc/13/11/28/886131128.db2.gz HWPOXXSTQAQDEU-UHFFFAOYSA-N 2 0 270.421 -0.720 20 0 CBADRP CCN1CC(CCO)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001329695644 886179442 /nfs/dbraw/zinc/17/94/42/886179442.db2.gz ZMOIQWNVIPNDNF-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001329760473 886198592 /nfs/dbraw/zinc/19/85/92/886198592.db2.gz QQOPFOBQFYJOKC-AGIUHOORSA-N 2 0 268.405 -0.040 20 0 CBADRP COC[C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001447061049 913017930 /nfs/dbraw/zinc/01/79/30/913017930.db2.gz VWYMDJTXPGIUKM-QWHCGFSZSA-N 2 0 287.404 -0.617 20 0 CBADRP CNS(=O)(=O)CCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC001329802035 886210752 /nfs/dbraw/zinc/21/07/52/886210752.db2.gz YYUCFYKKIQGZSF-GARJFASQSA-N 2 0 279.406 -0.732 20 0 CBADRP C[NH+](C/C=C\C[N@@H+](C)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC001329862246 886245265 /nfs/dbraw/zinc/24/52/65/886245265.db2.gz HUQGDDLZKDEXNE-OPVGQWETSA-N 2 0 280.372 -0.817 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC001329876868 886251075 /nfs/dbraw/zinc/25/10/75/886251075.db2.gz DBKOJSPJKYPVIF-JTQLQIEISA-N 2 0 266.349 -0.645 20 0 CBADRP CC[C@H]1CN(C(=O)c2cn(CC[NH3+])nn2)CC[C@@H]1[NH3+] ZINC001329923833 886279481 /nfs/dbraw/zinc/27/94/81/886279481.db2.gz LLZJVOFYURJDOM-UWVGGRQHSA-N 2 0 266.349 -0.564 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC001329926557 886281223 /nfs/dbraw/zinc/28/12/23/886281223.db2.gz VOJNTRUTKUABQU-QJPTWQEYSA-N 2 0 255.362 -0.192 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)c2cn(CC[NH3+])nn2)C1 ZINC001329925400 886281977 /nfs/dbraw/zinc/28/19/77/886281977.db2.gz ITPSRGZKMXDIAL-SECBINFHSA-N 2 0 252.322 -0.939 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC001329926838 886283278 /nfs/dbraw/zinc/28/32/78/886283278.db2.gz VOJNTRUTKUABQU-TUAOUCFPSA-N 2 0 255.362 -0.192 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC001329938935 886290226 /nfs/dbraw/zinc/29/02/26/886290226.db2.gz YGHBQYFCMQQTAP-NEPJUHHUSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001329976714 886310672 /nfs/dbraw/zinc/31/06/72/886310672.db2.gz KGUVHGCGUGFOGC-VIFPVBQESA-N 2 0 266.349 -0.330 20 0 CBADRP [NH3+]Cc1ccc(C(=O)N2CCOC3(C[NH2+]C3)C2)o1 ZINC001329994900 886315981 /nfs/dbraw/zinc/31/59/81/886315981.db2.gz NFPQVWJBOLABNH-UHFFFAOYSA-N 2 0 251.286 -0.447 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@H](C)C[NH2+]C ZINC001330002611 886320334 /nfs/dbraw/zinc/32/03/34/886320334.db2.gz FNGHBCIKBBCUNK-LLVKDONJSA-N 2 0 260.382 -0.281 20 0 CBADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](CCOCCO)C1 ZINC001330032631 886331372 /nfs/dbraw/zinc/33/13/72/886331372.db2.gz VDBXPSJWXKBSIF-TZMCWYRMSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H](O)C[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001330073408 886348407 /nfs/dbraw/zinc/34/84/07/886348407.db2.gz CCZPZXJFTKHJND-NEPJUHHUSA-N 2 0 269.389 -0.101 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC2([NH3+])CCOCC2)C1 ZINC001330084086 886350527 /nfs/dbraw/zinc/35/05/27/886350527.db2.gz DBQSDLLVYAWRMS-OPQQBVKSSA-N 2 0 253.346 -0.262 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001330085552 886352885 /nfs/dbraw/zinc/35/28/85/886352885.db2.gz POFAENNZIZAKAZ-SDDRHHMPSA-N 2 0 255.362 -0.321 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001330085017 886353580 /nfs/dbraw/zinc/35/35/80/886353580.db2.gz KJLGBLONBKMJMD-SDDRHHMPSA-N 2 0 255.362 -0.321 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC([NH3+])CC3)CC[C@@H]21 ZINC001330568314 886484135 /nfs/dbraw/zinc/48/41/35/886484135.db2.gz SLXFYEDYCWRUSF-YPMHNXCESA-N 2 0 294.399 -0.511 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC001330593535 886492256 /nfs/dbraw/zinc/49/22/56/886492256.db2.gz RANHMEMDHGMNGU-SNVBAGLBSA-N 2 0 251.334 -0.249 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC001330593025 886493393 /nfs/dbraw/zinc/49/33/93/886493393.db2.gz VXQTXPOJZSRBPA-LBPRGKRZSA-N 2 0 297.403 -0.766 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001330603757 886499453 /nfs/dbraw/zinc/49/94/53/886499453.db2.gz VRWJEEZSLNUHQK-XLFHBGCDSA-N 2 0 261.391 -0.659 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001330608787 886503024 /nfs/dbraw/zinc/50/30/24/886503024.db2.gz ULWRPSPFJGLXIX-NXEZZACHSA-N 2 0 264.333 -0.706 20 0 CBADRP [NH3+]C1(CNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CCOCC1 ZINC001330627224 886512081 /nfs/dbraw/zinc/51/20/81/886512081.db2.gz VNQAFRRVTLOQOX-NXEZZACHSA-N 2 0 259.325 -0.442 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC001330870594 886606811 /nfs/dbraw/zinc/60/68/11/886606811.db2.gz MLXYZVKGIPDGEO-RWMBFGLXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N(CC[NH3+])CC(F)(F)F ZINC001330916064 886623434 /nfs/dbraw/zinc/62/34/34/886623434.db2.gz DYFZWUJTNLUKJE-ZETCQYMHSA-N 2 0 256.272 -0.775 20 0 CBADRP CC(C)([NH3+])CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC001330941739 886631852 /nfs/dbraw/zinc/63/18/52/886631852.db2.gz PEMMREHUKOEAIE-SECBINFHSA-N 2 0 256.350 -0.902 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001331016933 886648057 /nfs/dbraw/zinc/64/80/57/886648057.db2.gz SNPJTOFIJLKCES-YIZRAAEISA-N 2 0 263.288 -0.536 20 0 CBADRP C[NH2+]CCNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC001331025710 886650560 /nfs/dbraw/zinc/65/05/60/886650560.db2.gz KRCSMXZCOPHDDM-ZETCQYMHSA-N 2 0 288.302 -0.301 20 0 CBADRP [NH3+]CCCNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC001331024783 886651076 /nfs/dbraw/zinc/65/10/76/886651076.db2.gz ACHGFIDTCJQMDT-ZETCQYMHSA-N 2 0 288.302 -0.171 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC001331041051 886653723 /nfs/dbraw/zinc/65/37/23/886653723.db2.gz PMJLIBLDWHOATQ-CHWSQXEVSA-N 2 0 296.415 -0.168 20 0 CBADRP C[NH2+]CCOCCNC(=O)C1(OC)CC[NH2+]CC1 ZINC001331054355 886660574 /nfs/dbraw/zinc/66/05/74/886660574.db2.gz XQKZQLKOSUOCSY-UHFFFAOYSA-N 2 0 259.350 -0.893 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001331052183 886660968 /nfs/dbraw/zinc/66/09/68/886660968.db2.gz BXWJAXANMSUCKR-GOSISDBHSA-N 2 0 275.418 -0.445 20 0 CBADRP [NH3+][C@@H](C(=O)NC[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC001331058241 886663486 /nfs/dbraw/zinc/66/34/86/886663486.db2.gz MVNGOKGDUGWTJX-VXGBXAGGSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2ccnn2)CC[N@@H+]1C ZINC001331075818 886669486 /nfs/dbraw/zinc/66/94/86/886669486.db2.gz WTTRPBSQLKGQPE-GRYCIOLGSA-N 2 0 253.350 -0.289 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331113901 886679126 /nfs/dbraw/zinc/67/91/26/886679126.db2.gz VRCDOODBTOCYMI-LPWJVIDDSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331113902 886680238 /nfs/dbraw/zinc/68/02/38/886680238.db2.gz VRCDOODBTOCYMI-ZDEQEGDKSA-N 2 0 296.415 -0.171 20 0 CBADRP OC1(Cc2cn([C@H]3CCC[NH2+]C3)nn2)CC[NH2+]CC1 ZINC001331233231 886744858 /nfs/dbraw/zinc/74/48/58/886744858.db2.gz JFDSDDZKYXBADH-LBPRGKRZSA-N 2 0 265.361 -0.140 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001331319901 886774181 /nfs/dbraw/zinc/77/41/81/886774181.db2.gz QOJDJLYCGYZPMP-DCAQKATOSA-N 2 0 270.377 -0.561 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001331337024 886780425 /nfs/dbraw/zinc/78/04/25/886780425.db2.gz VNNGKLGNIHJJBI-OLZOCXBDSA-N 2 0 263.341 -0.209 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CCF)C2)C1 ZINC001447473809 913084888 /nfs/dbraw/zinc/08/48/88/913084888.db2.gz MNCCWQDLJKOACO-GXTWGEPZSA-N 2 0 287.379 -0.149 20 0 CBADRP CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC001331573955 886852698 /nfs/dbraw/zinc/85/26/98/886852698.db2.gz HNLWIKRTEHWFHB-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001331605055 886862149 /nfs/dbraw/zinc/86/21/49/886862149.db2.gz WSESOQAWAGMOFS-AGIUHOORSA-N 2 0 296.415 -0.204 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001447536154 913094290 /nfs/dbraw/zinc/09/42/90/913094290.db2.gz DYDCCSVTPFULOI-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1cnnn1C ZINC001447547031 913096110 /nfs/dbraw/zinc/09/61/10/913096110.db2.gz TUCIRSWUNVTSPY-AAEUAGOBSA-N 2 0 294.403 -0.297 20 0 CBADRP CC(C)[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001331773301 886971260 /nfs/dbraw/zinc/97/12/60/886971260.db2.gz DVKILNGSWKUBQW-LBPRGKRZSA-N 2 0 257.378 -0.197 20 0 CBADRP CCC[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001331824470 887001970 /nfs/dbraw/zinc/00/19/70/887001970.db2.gz ISXIDCNQRRRPAD-LLVKDONJSA-N 2 0 255.362 -0.441 20 0 CBADRP CCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001331835167 887003778 /nfs/dbraw/zinc/00/37/78/887003778.db2.gz LFDNHMQTPONTGX-NWDGAFQWSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H](CC[NH+]1CCN(C)CC1)NCc1ncnn1C ZINC001331898002 887035264 /nfs/dbraw/zinc/03/52/64/887035264.db2.gz NMUZXVWFDHBRSZ-LBPRGKRZSA-N 2 0 266.393 -0.069 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC001331948437 887058563 /nfs/dbraw/zinc/05/85/63/887058563.db2.gz LOXUNCCZFAIZSP-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CCOC(=O)[C@H]1C[NH2+]CCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC001331966157 887068959 /nfs/dbraw/zinc/06/89/59/887068959.db2.gz QRWBSGLGKJTMFK-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]([NH3+])CC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001331992110 887078102 /nfs/dbraw/zinc/07/81/02/887078102.db2.gz SWHKXVWRQCEMRB-SECBINFHSA-N 2 0 264.333 -0.438 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001332040700 887091372 /nfs/dbraw/zinc/09/13/72/887091372.db2.gz YLGPNKPFGDSTPS-JTQLQIEISA-N 2 0 296.375 -0.763 20 0 CBADRP CC[C@@H](C(=O)NC1(CO)CC[NH+](CCO)CC1)[NH+](C)C ZINC001447725861 913111969 /nfs/dbraw/zinc/11/19/69/913111969.db2.gz BEABQZRYFIFAFV-LBPRGKRZSA-N 2 0 287.404 -0.738 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCO)C[C@@H]1C ZINC001332051809 887093449 /nfs/dbraw/zinc/09/34/49/887093449.db2.gz UFVPSZZJPCTMJA-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C[NH+](C)C ZINC001332146352 887132306 /nfs/dbraw/zinc/13/23/06/887132306.db2.gz IQTSEYGAILCXKD-GHMZBOCLSA-N 2 0 270.377 -0.940 20 0 CBADRP C[NH2+]CCN(C)C(=O)c1cn(CCCC[NH3+])nn1 ZINC001332180167 887146085 /nfs/dbraw/zinc/14/60/85/887146085.db2.gz QGSMRWAZOGOJNT-UHFFFAOYSA-N 2 0 254.338 -0.692 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC001332218238 887159243 /nfs/dbraw/zinc/15/92/43/887159243.db2.gz UBIPPWKRKUTMOV-CYBMUJFWSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[NH+]1CCC(CNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC001332233914 887164642 /nfs/dbraw/zinc/16/46/42/887164642.db2.gz IFPTWOYRPDAFEX-AAEUAGOBSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[NH+]1CCC(CNC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC001332233915 887164781 /nfs/dbraw/zinc/16/47/81/887164781.db2.gz IFPTWOYRPDAFEX-DGCLKSJQSA-N 2 0 296.415 -0.217 20 0 CBADRP [NH3+]CCCC(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001332275488 887181055 /nfs/dbraw/zinc/18/10/55/887181055.db2.gz CKCCSRLGWOLMBA-NSHDSACASA-N 2 0 266.349 -0.361 20 0 CBADRP [NH3+]C[C@H]1CN(C[C@@H]2CC3(C[NH2+]C3)CO2)CCCO1 ZINC001332334614 887206867 /nfs/dbraw/zinc/20/68/67/887206867.db2.gz NTSVUHKQHBPWLX-RYUDHWBXSA-N 2 0 255.362 -0.586 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001332331623 887207665 /nfs/dbraw/zinc/20/76/65/887207665.db2.gz KFHZRBBBTDEHTA-TXEJJXNPSA-N 2 0 282.388 -0.606 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC001332335572 887211590 /nfs/dbraw/zinc/21/15/90/887211590.db2.gz YHIJADQOWPQMEW-DRZSPHRISA-N 2 0 267.373 -0.076 20 0 CBADRP C[NH+](CC(N)=O)[C@H]1CC[C@H]([N@H+](C)CC(N)=O)CC1 ZINC001332364483 887227384 /nfs/dbraw/zinc/22/73/84/887227384.db2.gz GRHGJVWZVGASMU-MGCOHNPYSA-N 2 0 256.350 -0.868 20 0 CBADRP [NH3+]CC(C[NH3+])NCC(=O)Nc1ccc(F)cc1F ZINC001332363730 887228531 /nfs/dbraw/zinc/22/85/31/887228531.db2.gz JZOQAPSZMVAAKR-UHFFFAOYSA-N 2 0 258.272 -0.221 20 0 CBADRP OC1(Cc2cn(C[C@H]3CCC[NH2+]3)nn2)CC[NH2+]CC1 ZINC001332376673 887239087 /nfs/dbraw/zinc/23/90/87/887239087.db2.gz KKHKDMQASZNGTL-LLVKDONJSA-N 2 0 265.361 -0.313 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001332390622 887248557 /nfs/dbraw/zinc/24/85/57/887248557.db2.gz HHIKNEYIMYODLE-XQQFMLRXSA-N 2 0 296.415 -0.075 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)NCC2CC[NH2+]CC2)nn1 ZINC001332393419 887251916 /nfs/dbraw/zinc/25/19/16/887251916.db2.gz GBBLWWNXHXKOGR-UHFFFAOYSA-N 2 0 280.376 -0.254 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)NCCCN1CC[NH2+]CC1 ZINC001332393495 887255141 /nfs/dbraw/zinc/25/51/41/887255141.db2.gz HZPBWCUNKANENP-VIFPVBQESA-N 2 0 264.320 -0.620 20 0 CBADRP C[C@@H]([NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001447804006 913127884 /nfs/dbraw/zinc/12/78/84/913127884.db2.gz JCOXAKSPWTYNRU-XSRFYTQQSA-N 2 0 296.415 -0.314 20 0 CBADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2ccnn2)C12CCC2 ZINC001332419228 887269987 /nfs/dbraw/zinc/26/99/87/887269987.db2.gz BIYYUZWYSWWEGR-HBNTYKKESA-N 2 0 251.334 -0.502 20 0 CBADRP O=C(CN1CC[C@]2(C1)CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC001332425183 887273414 /nfs/dbraw/zinc/27/34/14/887273414.db2.gz WYGAMQOICJMVBH-CQSZACIVSA-N 2 0 266.389 -0.506 20 0 CBADRP C[NH2+]CCCN1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332425161 887274902 /nfs/dbraw/zinc/27/49/02/887274902.db2.gz WHAXXXWBTWAVAV-UONOGXRCSA-N 2 0 295.431 -0.184 20 0 CBADRP CN(C)C(=O)C[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001447817267 913133643 /nfs/dbraw/zinc/13/36/43/913133643.db2.gz MNDULGAGVQMDSU-CPCZMJQVSA-N 2 0 296.415 -0.489 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC[C@H]21 ZINC001332543054 887347638 /nfs/dbraw/zinc/34/76/38/887347638.db2.gz MOHPTRICRKAZQW-KIJLLGNVSA-N 2 0 264.373 -0.060 20 0 CBADRP COCC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001332567308 887359445 /nfs/dbraw/zinc/35/94/45/887359445.db2.gz UOKQGRLDRLXOMJ-CHWSQXEVSA-N 2 0 287.404 -0.617 20 0 CBADRP CN(C[C@H](O)C[NH2+]CCCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001332591162 887366500 /nfs/dbraw/zinc/36/65/00/887366500.db2.gz DNCOXEHERVCCAI-CHWSQXEVSA-N 2 0 287.404 -0.881 20 0 CBADRP [NH3+]CC(C[NH3+])NCc1nnc(C2CC2)n1C1CC1 ZINC001332815224 887438307 /nfs/dbraw/zinc/43/83/07/887438307.db2.gz GHURJNBIQROIPA-UHFFFAOYSA-N 2 0 250.350 -0.134 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(O)(C[NH3+])CC1 ZINC001332976066 887492096 /nfs/dbraw/zinc/49/20/96/887492096.db2.gz MHCVBYYBNVPOLC-JGLYPNHGSA-N 2 0 267.373 -0.290 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N[C@@H]2CC[NH2+]C2)nn1 ZINC001332995316 887498213 /nfs/dbraw/zinc/49/82/13/887498213.db2.gz UISGTBYQDLGEMM-SECBINFHSA-N 2 0 252.322 -0.891 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC001333161724 887546490 /nfs/dbraw/zinc/54/64/90/887546490.db2.gz RZBDVCXKLJQBBQ-FRRDWIJNSA-N 2 0 255.362 -0.633 20 0 CBADRP [NH3+]CCN(CC(F)(F)F)C(=O)C[C@@H]1COCC[NH2+]1 ZINC001333216448 887560863 /nfs/dbraw/zinc/56/08/63/887560863.db2.gz XJIBUDGFLRXHMV-MRVPVSSYSA-N 2 0 269.267 -0.286 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[NH2+]CC1 ZINC001333236623 887567010 /nfs/dbraw/zinc/56/70/10/887567010.db2.gz OPOYVFCCOLOZIL-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP C[C@@H](O)C[NH2+]CCOCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001333268054 887576348 /nfs/dbraw/zinc/57/63/48/887576348.db2.gz RRLXQNWLIGXYHI-CYBMUJFWSA-N 2 0 299.415 -0.472 20 0 CBADRP CN1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC[NH+](C)CC1 ZINC001333404952 887624830 /nfs/dbraw/zinc/62/48/30/887624830.db2.gz QBSQHJHWKWYIOO-HNNXBMFYSA-N 2 0 284.448 -0.379 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCC3(CCNC(=O)O3)CC2)C1 ZINC001333530429 887677453 /nfs/dbraw/zinc/67/74/53/887677453.db2.gz XHVNSOSKNZWCFO-DCAQKATOSA-N 2 0 269.345 -0.199 20 0 CBADRP C[N@H+](CCCO)C1CCN(C[C@@H]2CNC(=O)C2)CC1 ZINC001333582128 887703703 /nfs/dbraw/zinc/70/37/03/887703703.db2.gz JYBAMKFRNQOCGC-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001333627017 887723789 /nfs/dbraw/zinc/72/37/89/887723789.db2.gz VDMOKWZGEJIAQW-SRVKXCTJSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[N@@H+]1CCC[C@@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC001333636402 887729931 /nfs/dbraw/zinc/72/99/31/887729931.db2.gz QXVUAYVJUSGPDM-QWRGUYRKSA-N 2 0 268.361 -0.062 20 0 CBADRP C[NH+](C)[C@@H]1C[C@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC001333656314 887738205 /nfs/dbraw/zinc/73/82/05/887738205.db2.gz OCJBIZYHUQMCDR-QLFBSQMISA-N 3 0 284.448 -0.476 20 0 CBADRP Cn1cc(CC[NH+]2CCC(O)(C[NH+](C)C)CC2)nn1 ZINC001333687721 887746426 /nfs/dbraw/zinc/74/64/26/887746426.db2.gz VOGSANBOAPRXPC-UHFFFAOYSA-N 2 0 267.377 -0.254 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001333881770 887795787 /nfs/dbraw/zinc/79/57/87/887795787.db2.gz AETISNQQDCYTSM-AAEUAGOBSA-N 2 0 296.415 -0.027 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001333881773 887796987 /nfs/dbraw/zinc/79/69/87/887796987.db2.gz AETISNQQDCYTSM-YPMHNXCESA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001333940841 887815318 /nfs/dbraw/zinc/81/53/18/887815318.db2.gz PKHAUYAVWZGSOJ-WDEREUQCSA-N 2 0 294.399 -0.323 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCCC[NH3+])CC[C@@H]21 ZINC001333957515 887819563 /nfs/dbraw/zinc/81/95/63/887819563.db2.gz CEJQQJUZVYRTOM-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001334139373 887875438 /nfs/dbraw/zinc/87/54/38/887875438.db2.gz LJZJTLVAAZYAON-ZDUSSCGKSA-N 2 0 266.389 -0.461 20 0 CBADRP OC1CCN(Cc2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC001334395629 887951427 /nfs/dbraw/zinc/95/14/27/887951427.db2.gz AIGSCHSKGAFQCN-NSHDSACASA-N 2 0 265.361 -0.013 20 0 CBADRP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)N1CC[NH2+]CC[NH2+]CC1 ZINC001334763969 888317307 /nfs/dbraw/zinc/31/73/07/888317307.db2.gz VCNPSFISGOUCJY-KGLIPLIRSA-N 3 0 268.405 -0.750 20 0 CBADRP CC(=O)NC1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001335191030 888438155 /nfs/dbraw/zinc/43/81/55/888438155.db2.gz XJHCNDAHJCVENF-CYBMUJFWSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]CC1(NC(=O)NCC2=CC[NH2+]CC2)CCOCC1 ZINC001335201359 888442035 /nfs/dbraw/zinc/44/20/35/888442035.db2.gz JGDZQZAPDUXOMN-UHFFFAOYSA-N 2 0 268.361 -0.287 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])CC2)CC[N@@H+]1C ZINC001335207468 888448996 /nfs/dbraw/zinc/44/89/96/888448996.db2.gz RPHBVZTXSWNDNF-NXEZZACHSA-N 2 0 268.361 -0.807 20 0 CBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1(C[NH3+])CC(O)C1 ZINC001335262173 888474260 /nfs/dbraw/zinc/47/42/60/888474260.db2.gz CGTCUIJYVCDEFA-AKJDGMEZSA-N 2 0 257.378 -0.082 20 0 CBADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC001335266910 888477321 /nfs/dbraw/zinc/47/73/21/888477321.db2.gz ICJSZBIKZWBXCU-IACUBPJLSA-N 3 0 270.421 -0.249 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC001335275391 888478468 /nfs/dbraw/zinc/47/84/68/888478468.db2.gz BGRAJQWTYQIQHH-AGIUHOORSA-N 2 0 296.415 -0.360 20 0 CBADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(C(=O)NCCO)CC2)C1 ZINC001335285261 888483431 /nfs/dbraw/zinc/48/34/31/888483431.db2.gz LUMGGGIZTWBVPC-KLPPZKSPSA-N 2 0 255.362 -0.456 20 0 CBADRP CCN1C[C@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1=O ZINC001335421288 888530133 /nfs/dbraw/zinc/53/01/33/888530133.db2.gz JUHVVVHGNVEYPQ-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[C@H](O)C[NH2+]CC(=O)NCC[NH+]1CCCCC1 ZINC001335450699 888538350 /nfs/dbraw/zinc/53/83/50/888538350.db2.gz HUGYWFNOHJQEQN-LBPRGKRZSA-N 2 0 257.378 -0.051 20 0 CBADRP C[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1nncn1C ZINC001335499019 888547257 /nfs/dbraw/zinc/54/72/57/888547257.db2.gz GOSNCATXGPEPDQ-NEPJUHHUSA-N 2 0 267.377 -0.035 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)NCC(C)(C)[NH3+] ZINC001335550766 888562832 /nfs/dbraw/zinc/56/28/32/888562832.db2.gz DAQZGUGIWOOFCJ-JTQLQIEISA-N 2 0 258.366 -0.256 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)NCC2([NH3+])CCC2)CC1 ZINC001335551098 888563471 /nfs/dbraw/zinc/56/34/71/888563471.db2.gz IDUYWMIJMVHIKK-UHFFFAOYSA-N 2 0 269.393 -0.410 20 0 CBADRP C[C@]1(CNC(=O)N2CCNCC[NH2+]CC2)CCC[NH2+]C1 ZINC001335551808 888563738 /nfs/dbraw/zinc/56/37/38/888563738.db2.gz QGTSTSIQADFZBV-AWEZNQCLSA-N 2 0 283.420 -0.420 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)N1CCNCC[NH2+]CC1 ZINC001335551136 888564218 /nfs/dbraw/zinc/56/42/18/888564218.db2.gz ITPZPCGXBVMQJE-LLVKDONJSA-N 2 0 257.382 -0.954 20 0 CBADRP CN1CCN(C(=O)NCC2([NH+](C)C)CC2)CC[N@H+](C)CC1 ZINC001335551041 888564726 /nfs/dbraw/zinc/56/47/26/888564726.db2.gz VFLZIJZZKLSRNR-UHFFFAOYSA-N 2 0 297.447 -0.031 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001335588001 888574049 /nfs/dbraw/zinc/57/40/49/888574049.db2.gz DXLUWRKHKGVRSV-OUAUKWLOSA-N 2 0 256.350 -0.776 20 0 CBADRP C[C@@H](O)[C@@H](O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC001335593648 888575913 /nfs/dbraw/zinc/57/59/13/888575913.db2.gz IRGASRBYRBQSJJ-OLZOCXBDSA-N 2 0 259.394 -0.703 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC001335595647 888576339 /nfs/dbraw/zinc/57/63/39/888576339.db2.gz KKGNOOSKZCGHNB-QWRGUYRKSA-N 2 0 258.366 -0.256 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC001335590853 888576478 /nfs/dbraw/zinc/57/64/78/888576478.db2.gz RGWCKTRTOLTEJJ-LBPRGKRZSA-N 2 0 269.393 -0.810 20 0 CBADRP C[C@H](O)[C@@H](O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC001335593651 888577138 /nfs/dbraw/zinc/57/71/38/888577138.db2.gz IRGASRBYRBQSJJ-STQMWFEESA-N 2 0 259.394 -0.703 20 0 CBADRP CCO[C@@H](CNC(=O)NC[C@@H]([NH3+])CC)C[NH+](C)C ZINC001335595210 888577354 /nfs/dbraw/zinc/57/73/54/888577354.db2.gz GEOQMTGKIXEACA-QWRGUYRKSA-N 2 0 260.382 -0.010 20 0 CBADRP C[N@H+]1CC=C(CNC(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC001335623818 888586798 /nfs/dbraw/zinc/58/67/98/888586798.db2.gz VDXKDLJBAFNBKB-UHFFFAOYSA-N 2 0 295.431 -0.029 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001335831335 888639532 /nfs/dbraw/zinc/63/95/32/888639532.db2.gz JSUGDNUDUIMLFX-JHJVBQTASA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)C[NH+]1CCC(CO)CC1 ZINC001335957335 888659532 /nfs/dbraw/zinc/65/95/32/888659532.db2.gz XUXXVLQGBUJJLC-NSHDSACASA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@@H]([NH2+]Cc1cn(CC(N)=O)nn1)C1CC[NH2+]CC1 ZINC001335948076 888660748 /nfs/dbraw/zinc/66/07/48/888660748.db2.gz MOGKJARXWBCKPD-SECBINFHSA-N 2 0 266.349 -0.759 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001336049817 888686084 /nfs/dbraw/zinc/68/60/84/888686084.db2.gz WRUXXDDSDGJFCT-HAQNSBGRSA-N 2 0 272.393 -0.009 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)NCCC[NH2+]C2CC2)CC1 ZINC001336109551 888694571 /nfs/dbraw/zinc/69/45/71/888694571.db2.gz NYGLVQPUWATWKM-UHFFFAOYSA-N 2 0 283.420 -0.149 20 0 CBADRP CC[NH2+]CCNC(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC001336115903 888698026 /nfs/dbraw/zinc/69/80/26/888698026.db2.gz IKISYWVUOWOFFN-NSHDSACASA-N 2 0 258.366 -0.384 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC001336152606 888706321 /nfs/dbraw/zinc/70/63/21/888706321.db2.gz YISSAZJCSJPJCB-DGCLKSJQSA-N 2 0 270.377 -0.125 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC001336160549 888710330 /nfs/dbraw/zinc/71/03/30/888710330.db2.gz UOSWWMIBFYSVGW-NNYUYHANSA-N 2 0 252.362 -0.025 20 0 CBADRP CCO[C@H](CNC(=O)N(C)CC[NH2+]C)C[NH+](C)C ZINC001336193604 888716858 /nfs/dbraw/zinc/71/68/58/888716858.db2.gz RFCJCEIZYBBWPU-LLVKDONJSA-N 2 0 260.382 -0.186 20 0 CBADRP CN1CCO[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2C)C1 ZINC001336224432 888722192 /nfs/dbraw/zinc/72/21/92/888722192.db2.gz PFIXNYRTZHCPKT-NWDGAFQWSA-N 2 0 255.362 -0.083 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001336254637 888731069 /nfs/dbraw/zinc/73/10/69/888731069.db2.gz HKFJZAJZOGFZOA-VWYCJHECSA-N 2 0 252.362 -0.012 20 0 CBADRP CN(CC1C[NH+](C)C1)C(=O)C[NH+]1CCC(CO)CC1 ZINC001336553255 888794732 /nfs/dbraw/zinc/79/47/32/888794732.db2.gz WGGPKBOEAUVMQN-UHFFFAOYSA-N 2 0 269.389 -0.289 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001336587461 888804686 /nfs/dbraw/zinc/80/46/86/888804686.db2.gz SDAYFRQSYQLLIH-SWLSCSKDSA-N 2 0 296.415 -0.488 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)=NO1 ZINC001336742818 888863467 /nfs/dbraw/zinc/86/34/67/888863467.db2.gz UPRBDFOVCSNLST-VLEAKVRGSA-N 2 0 266.345 -0.263 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCC(F)F)CC1 ZINC001336773821 888873903 /nfs/dbraw/zinc/87/39/03/888873903.db2.gz SVTMSOBFIVLJRW-JTQLQIEISA-N 2 0 251.321 -0.161 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)C[C@H]1[NH3+] ZINC001336812362 888890179 /nfs/dbraw/zinc/89/01/79/888890179.db2.gz YLWQQTBZKWHXRB-GRYCIOLGSA-N 2 0 269.393 -0.779 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)NCCN1CCC([NH3+])CC1 ZINC001336910284 888919914 /nfs/dbraw/zinc/91/99/14/888919914.db2.gz TXBIRLVZKBGZHG-JTQLQIEISA-N 2 0 257.382 -0.554 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001336892558 888908581 /nfs/dbraw/zinc/90/85/81/888908581.db2.gz CEJSPBPPEHNVML-LLVKDONJSA-N 2 0 258.366 -0.397 20 0 CBADRP CCO[C@H](CNC(=O)NC/C=C\C[NH3+])C[NH+](C)C ZINC001336901977 888913302 /nfs/dbraw/zinc/91/33/02/888913302.db2.gz YZFULMVISFXCBJ-ISALQUGTSA-N 2 0 258.366 -0.233 20 0 CBADRP CCO[C@@H](CNC(=O)NC/C=C/C[NH3+])C[NH+](C)C ZINC001336901979 888913532 /nfs/dbraw/zinc/91/35/32/888913532.db2.gz YZFULMVISFXCBJ-QRGHLMKCSA-N 2 0 258.366 -0.233 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NCCN1CC[NH2+]CC1 ZINC001336910032 888920189 /nfs/dbraw/zinc/92/01/89/888920189.db2.gz XMRDLJRNTNQIQA-NEPJUHHUSA-N 2 0 269.393 -0.954 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC001336926415 888922597 /nfs/dbraw/zinc/92/25/97/888922597.db2.gz MVOJLSVXGHWBQH-FOGDFJRCSA-N 2 0 258.366 -0.794 20 0 CBADRP [NH3+]C1(CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC001336973450 888937343 /nfs/dbraw/zinc/93/73/43/888937343.db2.gz JXEUSGWMMJGPJH-NSHDSACASA-N 2 0 267.377 -0.833 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC001336965157 888938498 /nfs/dbraw/zinc/93/84/98/888938498.db2.gz MXATUTPZKZFBNM-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001336989877 888943609 /nfs/dbraw/zinc/94/36/09/888943609.db2.gz JLCCVSZZUKFEGD-NOOOWODRSA-N 2 0 268.361 -0.491 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001336990775 888944632 /nfs/dbraw/zinc/94/46/32/888944632.db2.gz PBEJCDVIZUBVRC-SBFPOUOMSA-N 2 0 268.361 -0.755 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001337016894 888948702 /nfs/dbraw/zinc/94/87/02/888948702.db2.gz XIMYEKQLCYKIIM-GRYCIOLGSA-N 2 0 267.377 -0.916 20 0 CBADRP C[N@@H+]1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1(C)C ZINC001337015477 888948716 /nfs/dbraw/zinc/94/87/16/888948716.db2.gz DSDXQGQZLWCEQI-MNOVXSKESA-N 2 0 255.362 -0.097 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCNCC[NH2+]CC1 ZINC001337062656 888957427 /nfs/dbraw/zinc/95/74/27/888957427.db2.gz OWKOSXNBYGVFSG-CYBMUJFWSA-N 2 0 283.420 -0.325 20 0 CBADRP CCC1([NH+]2CCC2)CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC001337104402 888963011 /nfs/dbraw/zinc/96/30/11/888963011.db2.gz GYUHDVJZVINJOG-UHFFFAOYSA-N 2 0 267.373 -0.202 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC001337374902 888996699 /nfs/dbraw/zinc/99/66/99/888996699.db2.gz IWHKRYKFXYFGRE-JOCQHMNTSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001337422746 889005430 /nfs/dbraw/zinc/00/54/30/889005430.db2.gz WMMFCFPOXNCAFA-TYNCELHUSA-N 2 0 296.415 -0.489 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001337485206 889019442 /nfs/dbraw/zinc/01/94/42/889019442.db2.gz KLHGPQHITOYJQG-GRYCIOLGSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H]([NH2+]CCO)[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001448462505 913301926 /nfs/dbraw/zinc/30/19/26/913301926.db2.gz RRBIBMKCNZFLKL-OLZOCXBDSA-N 2 0 299.415 -0.474 20 0 CBADRP COCCN1CCN(c2nccnc2C[NH3+])CC1 ZINC001337776520 889077621 /nfs/dbraw/zinc/07/76/21/889077621.db2.gz SKSGFCHKWZFAOZ-UHFFFAOYSA-N 2 0 251.334 -0.296 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001448517447 913313882 /nfs/dbraw/zinc/31/38/82/913313882.db2.gz QVXCROLPHWTBLD-AVGNSLFASA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001448522383 913313927 /nfs/dbraw/zinc/31/39/27/913313927.db2.gz VOMACEZNWHMYDH-RVMXOQNASA-N 2 0 296.415 -0.443 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC1([NH3+])CC1 ZINC001338277871 889133546 /nfs/dbraw/zinc/13/35/46/889133546.db2.gz JNNQOSDJJAALHE-QWRGUYRKSA-N 2 0 282.388 -0.417 20 0 CBADRP C[N@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001448504651 913314451 /nfs/dbraw/zinc/31/44/51/913314451.db2.gz VQXMRZJFEQYZGP-XYPYZODXSA-N 2 0 282.388 -0.560 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)NC2CC[NH2+]CC2)C1=O ZINC001338370270 889148753 /nfs/dbraw/zinc/14/87/53/889148753.db2.gz YXFSXAUJTCHRMP-LLVKDONJSA-N 2 0 268.361 -0.948 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001338370009 889149186 /nfs/dbraw/zinc/14/91/86/889149186.db2.gz WKLDLWKEEGAQPF-GMXVVIOVSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001448532265 913318789 /nfs/dbraw/zinc/31/87/89/913318789.db2.gz ZCRPWIFWINGSCE-RNJOBUHISA-N 2 0 296.415 -0.314 20 0 CBADRP [NH3+]C/C=C/CNC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001338642417 889183485 /nfs/dbraw/zinc/18/34/85/889183485.db2.gz ZXXYPWYVRYQIEY-ISUDXETCSA-N 2 0 282.388 -0.041 20 0 CBADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)NC[C@H]1C[NH2+]CCO1)C2 ZINC001338640726 889184476 /nfs/dbraw/zinc/18/44/76/889184476.db2.gz JEGMBAPXUCETCR-FIQHERPVSA-N 2 0 268.361 -0.504 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH2+]C[C@H]1CCOC ZINC001338659472 889189996 /nfs/dbraw/zinc/18/99/96/889189996.db2.gz HIFRBFRHWGNZHW-GHMZBOCLSA-N 2 0 258.366 -0.386 20 0 CBADRP C[C@@H]1CN(C(=O)NCCN2CCC([NH3+])CC2)CC[NH2+]1 ZINC001338686049 889191509 /nfs/dbraw/zinc/19/15/09/889191509.db2.gz AMGFRPQUKOFUCI-LLVKDONJSA-N 2 0 269.393 -0.587 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCO1 ZINC001338765199 889201690 /nfs/dbraw/zinc/20/16/90/889201690.db2.gz DYRGJEWCXLNPOG-CHWFTXMASA-N 2 0 254.334 -0.752 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001339069372 889235704 /nfs/dbraw/zinc/23/57/04/889235704.db2.gz MNUDEEHRFNFHMD-LBPRGKRZSA-N 2 0 266.389 -0.556 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)C1 ZINC001339716102 889314182 /nfs/dbraw/zinc/31/41/82/889314182.db2.gz RZLZVMUULCMPSR-AVGNSLFASA-N 2 0 266.389 -0.557 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@H]1CCC[NH2+]1 ZINC001339716157 889315714 /nfs/dbraw/zinc/31/57/14/889315714.db2.gz STTMCFPJQWCTSW-IJLUTSLNSA-N 2 0 252.362 -0.757 20 0 CBADRP C[C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2)[NH+](C)C ZINC001340057057 889377260 /nfs/dbraw/zinc/37/72/60/889377260.db2.gz UEGWGAWFYGQVFP-LOWVWBTDSA-N 2 0 255.362 -0.321 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@H]([NH3+])C(C)(C)O)n1 ZINC001340076383 889378974 /nfs/dbraw/zinc/37/89/74/889378974.db2.gz YHEXHKRJRLLNGA-SNVBAGLBSA-N 2 0 269.349 -0.519 20 0 CBADRP C[N@@H+]1CCCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001340133355 889391402 /nfs/dbraw/zinc/39/14/02/889391402.db2.gz KGPQJGXAVSKBOE-CYBMUJFWSA-N 2 0 255.362 -0.345 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)CNCC[NH3+])Cc1ccccc1 ZINC001340140452 889395648 /nfs/dbraw/zinc/39/56/48/889395648.db2.gz UMRDDEQDXVDAHA-CQSZACIVSA-N 2 0 278.400 -0.176 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CNCC[NH3+])C1 ZINC001340152523 889398511 /nfs/dbraw/zinc/39/85/11/889398511.db2.gz XLZJYLORWJIKJJ-LBPRGKRZSA-N 2 0 272.393 -0.992 20 0 CBADRP C[C@]1(C(=O)NCCC[NH+]2CCC(O)CC2)C[C@@H](O)C[NH2+]1 ZINC001340166884 889400973 /nfs/dbraw/zinc/40/09/73/889400973.db2.gz FGWBCBVUTFAODG-TZMCWYRMSA-N 2 0 285.388 -0.938 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CNCC[NH3+] ZINC001340191262 889405258 /nfs/dbraw/zinc/40/52/58/889405258.db2.gz SCLIEFYSVYGQNQ-NEPJUHHUSA-N 2 0 256.394 -0.229 20 0 CBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001340187406 889405175 /nfs/dbraw/zinc/40/51/75/889405175.db2.gz ZGIOUELHIKWQRX-ZWNOBZJWSA-N 2 0 255.362 -0.252 20 0 CBADRP C[C@]1(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C[C@@H](O)C[NH2+]1 ZINC001340182811 889405249 /nfs/dbraw/zinc/40/52/49/889405249.db2.gz NCUGIVBFHSEWBE-BKPPORCPSA-N 2 0 269.267 -0.505 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001340184871 889405534 /nfs/dbraw/zinc/40/55/34/889405534.db2.gz QBQICPXQSCBENE-WHOHXGKFSA-N 2 0 253.346 -0.663 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC001340197050 889407693 /nfs/dbraw/zinc/40/76/93/889407693.db2.gz WHLSBHOXPBVNJV-WOPDTQHZSA-N 2 0 257.378 -0.245 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC001340197045 889409161 /nfs/dbraw/zinc/40/91/61/889409161.db2.gz WHLSBHOXPBVNJV-SRVKXCTJSA-N 2 0 257.378 -0.245 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001340267623 889416736 /nfs/dbraw/zinc/41/67/36/889416736.db2.gz ULMMEYRVGMZIGA-KGLIPLIRSA-N 2 0 267.373 -0.297 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)C1=O ZINC001340310565 889419077 /nfs/dbraw/zinc/41/90/77/889419077.db2.gz AJFLLIPUFYGNDC-RWMBFGLXSA-N 2 0 294.399 -0.606 20 0 CBADRP [NH3+][C@H](CO)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001340287094 889419988 /nfs/dbraw/zinc/41/99/88/889419988.db2.gz LOJHWUNSVXXSNL-RAIGVLPGSA-N 2 0 267.373 -0.219 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001340296251 889420354 /nfs/dbraw/zinc/42/03/54/889420354.db2.gz HJTQQYBTPZRYLJ-MHDGFBEUSA-N 2 0 269.389 -0.006 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001340349919 889424803 /nfs/dbraw/zinc/42/48/03/889424803.db2.gz PHXFNKYSYVVKOY-FDYHWXHSSA-N 2 0 266.389 -0.369 20 0 CBADRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001340339626 889425058 /nfs/dbraw/zinc/42/50/58/889425058.db2.gz GCZOZGVZNXRBFU-STQMWFEESA-N 2 0 296.415 -0.264 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)C2=CCC[NH2+]CC2)CC1 ZINC001340363390 889427506 /nfs/dbraw/zinc/42/75/06/889427506.db2.gz NNMMOCOPHDHFOC-UHFFFAOYSA-N 2 0 253.346 -0.392 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[NH2+]CC1(C)C ZINC001340482921 889439731 /nfs/dbraw/zinc/43/97/31/889439731.db2.gz DIPJPFGDKJNOFN-VXGBXAGGSA-N 2 0 266.389 -0.415 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001340532187 889442359 /nfs/dbraw/zinc/44/23/59/889442359.db2.gz YDCCGXDHYGSTSO-CYBMUJFWSA-N 2 0 299.415 -0.161 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001340527033 889443492 /nfs/dbraw/zinc/44/34/92/889443492.db2.gz OTKTYTUQDAJNQH-GARJFASQSA-N 2 0 255.362 -0.003 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC001340652988 889460260 /nfs/dbraw/zinc/46/02/60/889460260.db2.gz QAIDMGSOXWPMAX-NEPJUHHUSA-N 2 0 266.389 -0.319 20 0 CBADRP C[C@]1(C(=O)N2CCC(CC[NH3+])CC2)C[C@H](O)C[NH2+]1 ZINC001340684481 889465196 /nfs/dbraw/zinc/46/51/96/889465196.db2.gz JNNOYFWOKTVMPG-WCQYABFASA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001340693456 889468310 /nfs/dbraw/zinc/46/83/10/889468310.db2.gz ZRPAJXFPQKYGII-MDZLAQPJSA-N 2 0 255.362 -0.171 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC3(C[NH2+]C3)CC2)=NO1 ZINC001340705606 889471106 /nfs/dbraw/zinc/47/11/06/889471106.db2.gz QPDSWHVYKPBMFZ-VIFPVBQESA-N 2 0 252.318 -0.698 20 0 CBADRP [NH3+]C1(CNC(=O)[C@]23CC[C@H]2C[NH2+]C3)CCOCC1 ZINC001340700740 889471508 /nfs/dbraw/zinc/47/15/08/889471508.db2.gz FTHKGDPLLSMNOD-GWCFXTLKSA-N 2 0 253.346 -0.390 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC001340917160 889514332 /nfs/dbraw/zinc/51/43/32/889514332.db2.gz XWAAYEANQAGFTR-TUAOUCFPSA-N 2 0 257.378 -0.341 20 0 CBADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001340738252 889476101 /nfs/dbraw/zinc/47/61/01/889476101.db2.gz HMZZLFQUDMZQQV-WDEREUQCSA-N 2 0 255.362 -0.003 20 0 CBADRP C[N@H+](CCc1ccccc1)CC(=O)NC[C@@H](O)C[NH3+] ZINC001340754005 889479912 /nfs/dbraw/zinc/47/99/12/889479912.db2.gz JATUARRYAZFUHN-ZDUSSCGKSA-N 2 0 265.357 -0.403 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N2NC(=O)C[C@@]23CC[NH2+]C3)C1 ZINC001340776360 889483917 /nfs/dbraw/zinc/48/39/17/889483917.db2.gz CNVKAFLLAINMDG-GIPNMCIBSA-N 2 0 266.345 -0.501 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001340785334 889485110 /nfs/dbraw/zinc/48/51/10/889485110.db2.gz GXMUYOMOVDRYOK-DGCLKSJQSA-N 2 0 257.378 -0.019 20 0 CBADRP [NH3+][C@H](Cc1ccccn1)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC001340785932 889485462 /nfs/dbraw/zinc/48/54/62/889485462.db2.gz LYOQLKNXWQDRGJ-IJLUTSLNSA-N 2 0 266.320 -0.151 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)C1=O ZINC001340795560 889486822 /nfs/dbraw/zinc/48/68/22/889486822.db2.gz HQFGUDDQFVWJRE-AVGNSLFASA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@H]1C[NH+](CCCNC(=O)C2(C[NH3+])CC(O)C2)C[C@H](C)O1 ZINC001340791653 889487204 /nfs/dbraw/zinc/48/72/04/889487204.db2.gz SFHHRZODUDTAIU-YKQCJFHZSA-N 2 0 299.415 -0.298 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C2(C[NH3+])CC(O)C2)C[C@H](C)O1 ZINC001340791651 889487465 /nfs/dbraw/zinc/48/74/65/889487465.db2.gz SFHHRZODUDTAIU-DOOHLRMFSA-N 2 0 299.415 -0.298 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC001340825580 889491989 /nfs/dbraw/zinc/49/19/89/889491989.db2.gz KVYIIBYXGQNINS-DGCLKSJQSA-N 2 0 267.373 -0.108 20 0 CBADRP C[C@]1(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[C@H](O)C[NH2+]1 ZINC001340843658 889495956 /nfs/dbraw/zinc/49/59/56/889495956.db2.gz JULZGRUGOSUEJX-SGMGOOAPSA-N 2 0 267.373 -0.204 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC001340854263 889498333 /nfs/dbraw/zinc/49/83/33/889498333.db2.gz PYUNLROBVJKQBL-QNWHQSFQSA-N 2 0 267.373 -0.321 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001340866831 889500354 /nfs/dbraw/zinc/50/03/54/889500354.db2.gz MICCKGZKBKBYQY-AGIUHOORSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC001340882142 889503710 /nfs/dbraw/zinc/50/37/10/889503710.db2.gz VXMDRQPFLGDKOP-VXGBXAGGSA-N 2 0 254.378 -0.652 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001340881084 889504908 /nfs/dbraw/zinc/50/49/08/889504908.db2.gz QETMTUVESLVSSE-VXGBXAGGSA-N 2 0 255.362 -0.360 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1C2CCC1(C[NH3+])CC2 ZINC001340887075 889507236 /nfs/dbraw/zinc/50/72/36/889507236.db2.gz MOSQLJZOISHNRH-AKJDGMEZSA-N 2 0 252.362 -0.628 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N(C)C1CC[NH+](C)CC1 ZINC001340907238 889509303 /nfs/dbraw/zinc/50/93/03/889509303.db2.gz IAJCRJBLSFDXFB-CMPLNLGQSA-N 2 0 257.378 -0.245 20 0 CBADRP CC1(CNC(=O)C2(C[NH3+])CC(O)C2)CC[NH2+]CC1 ZINC001340908285 889512602 /nfs/dbraw/zinc/51/26/02/889512602.db2.gz YQKXTIHSZKWJIH-UHFFFAOYSA-N 2 0 255.362 -0.408 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCC(CO)CC2)CC[NH2+]1 ZINC001340922037 889513623 /nfs/dbraw/zinc/51/36/23/889513623.db2.gz KAZFHCZLXBHQBD-YPMHNXCESA-N 2 0 269.389 -0.053 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001340941382 889518775 /nfs/dbraw/zinc/51/87/75/889518775.db2.gz SRJZOBWRUGXNMS-NTZNESFSSA-N 2 0 252.362 -0.709 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCN2C)C[C@H]1CC[NH3+] ZINC001341024244 889532827 /nfs/dbraw/zinc/53/28/27/889532827.db2.gz FGFUFBMRQVXFKN-UTUOFQBUSA-N 2 0 254.378 -0.667 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)NCCN1CCC([NH3+])CC1 ZINC001341055645 889537396 /nfs/dbraw/zinc/53/73/96/889537396.db2.gz DTJAXNIBDFDGNE-LBPRGKRZSA-N 2 0 268.405 -0.229 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1C[NH2+]CCN1C ZINC001341040060 889537413 /nfs/dbraw/zinc/53/74/13/889537413.db2.gz GEJWRFJOKBMJOR-GFCCVEGCSA-N 2 0 254.378 -0.557 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001341096996 889542542 /nfs/dbraw/zinc/54/25/42/889542542.db2.gz JTGZJUHLMVUJEH-RHYQMDGZSA-N 2 0 257.378 -0.354 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001341115425 889545286 /nfs/dbraw/zinc/54/52/86/889545286.db2.gz FOICNFQVEBGJCJ-MFKMUULPSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC(C)(C)CC[NH3+] ZINC001341129805 889546828 /nfs/dbraw/zinc/54/68/28/889546828.db2.gz LXQMXSLFGWHKDT-GHMZBOCLSA-N 2 0 254.378 -0.382 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)N1CCNCC[NH2+]CC1 ZINC001341221741 889559255 /nfs/dbraw/zinc/55/92/55/889559255.db2.gz JGJTVGQQMOVMKF-NSHDSACASA-N 2 0 272.418 -0.897 20 0 CBADRP [NH3+]C1(C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC2(CCC2)C1 ZINC001341239204 889561936 /nfs/dbraw/zinc/56/19/36/889561936.db2.gz OIPRMOZANCJEEW-ZDUSSCGKSA-N 2 0 267.373 -0.040 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC[C@@H]1C[NH3+] ZINC001341250624 889566372 /nfs/dbraw/zinc/56/63/72/889566372.db2.gz NEUKFOWAOACIAG-KKOKHZNYSA-N 2 0 255.362 -0.207 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001341285477 889570045 /nfs/dbraw/zinc/57/00/45/889570045.db2.gz UBSVILIRLXCIDR-JSGCOSHPSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@]1(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@@H](O)C[NH2+]1 ZINC001341271643 889570100 /nfs/dbraw/zinc/57/01/00/889570100.db2.gz JIDXDNUTZMRCJV-WGBDABJCSA-N 2 0 253.346 -0.833 20 0 CBADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001341322768 889574012 /nfs/dbraw/zinc/57/40/12/889574012.db2.gz FMSSSJWBZTWQAS-UTUOFQBUSA-N 2 0 265.357 -0.282 20 0 CBADRP [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)CN1CC[NH2+]CC1 ZINC001341335835 889576664 /nfs/dbraw/zinc/57/66/64/889576664.db2.gz OVHACAUPKORZBX-GXTWGEPZSA-N 2 0 266.389 -0.379 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC001341346698 889580588 /nfs/dbraw/zinc/58/05/88/889580588.db2.gz ITURAATXNFNMJH-WDEREUQCSA-N 2 0 255.362 -0.131 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2[NH2+]CC23CCOCC3)C1 ZINC001341405702 889591839 /nfs/dbraw/zinc/59/18/39/889591839.db2.gz WHYAALBSJMUMJX-GRYCIOLGSA-N 2 0 267.373 -0.001 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC001341405708 889592616 /nfs/dbraw/zinc/59/26/16/889592616.db2.gz WHYAALBSJMUMJX-WOPDTQHZSA-N 2 0 267.373 -0.001 20 0 CBADRP C[C@@H](CC(=O)N[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1CCC[NH2+]C1 ZINC001341416908 889593557 /nfs/dbraw/zinc/59/35/57/889593557.db2.gz DHEJYOVXUBXJQV-YFKTTZPYSA-N 2 0 255.362 -0.539 20 0 CBADRP [NH3+]CC1(CC(=O)N[C@@H]2C[NH2+]C[C@@H]2O)CCCCC1 ZINC001341422541 889596314 /nfs/dbraw/zinc/59/63/14/889596314.db2.gz ACQBNVKQDAZTOP-MNOVXSKESA-N 2 0 255.362 -0.265 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001341444901 889597698 /nfs/dbraw/zinc/59/76/98/889597698.db2.gz ANHKCDPFSORDTH-SNVBAGLBSA-N 2 0 259.350 -0.684 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC001341447627 889597978 /nfs/dbraw/zinc/59/79/78/889597978.db2.gz LROUUGFXQZUKJM-SCRDCRAPSA-N 2 0 266.389 -0.380 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC001341467504 889602258 /nfs/dbraw/zinc/60/22/58/889602258.db2.gz IDHBPKDUVZUEHF-PWSUYJOCSA-N 2 0 259.325 -0.475 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC001341477091 889603724 /nfs/dbraw/zinc/60/37/24/889603724.db2.gz KTLSSGATAHLZKF-WQAKAFBOSA-N 2 0 255.362 -0.457 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001341469017 889603765 /nfs/dbraw/zinc/60/37/65/889603765.db2.gz NRSDWARAWMVEQT-GFCCVEGCSA-N 2 0 267.373 -0.081 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001341477472 889604233 /nfs/dbraw/zinc/60/42/33/889604233.db2.gz NSQDURLDZSRJDJ-WDEREUQCSA-N 2 0 255.362 -0.443 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)[NH2+]C1CC1 ZINC001341468272 889604364 /nfs/dbraw/zinc/60/43/64/889604364.db2.gz PHBWDSIMIKAAGX-ZYHUDNBSSA-N 2 0 255.362 -0.036 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[C@H]3CC[C@]32C[NH3+])C1=O ZINC001341484316 889607347 /nfs/dbraw/zinc/60/73/47/889607347.db2.gz QZHWMFQYUWADSY-XUJVJEKNSA-N 2 0 294.399 -0.477 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[C@@H](O)C[NH2+]C ZINC001341514447 889612497 /nfs/dbraw/zinc/61/24/97/889612497.db2.gz GYICEEYUSRDESZ-TUAOUCFPSA-N 2 0 257.378 -0.197 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001341517045 889613005 /nfs/dbraw/zinc/61/30/05/889613005.db2.gz QVFUZQZEZQSZQC-IJLUTSLNSA-N 2 0 255.362 -0.227 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC001341587028 889628840 /nfs/dbraw/zinc/62/88/40/889628840.db2.gz SQDAZVSFWLDPCW-YPMHNXCESA-N 2 0 294.399 -0.463 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H]1C[NH2+]CCN1C ZINC001341613266 889632023 /nfs/dbraw/zinc/63/20/23/889632023.db2.gz GLZVKGRUNMFIME-OLZOCXBDSA-N 2 0 268.405 -0.119 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001341620871 889634655 /nfs/dbraw/zinc/63/46/55/889634655.db2.gz ZUOBLAIJUINKLS-NQBHXWOUSA-N 2 0 255.362 -0.443 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])CO)c1ccccc1 ZINC001341631723 889637424 /nfs/dbraw/zinc/63/74/24/889637424.db2.gz OREAHPMBABRHEG-NEPJUHHUSA-N 2 0 251.330 -0.275 20 0 CBADRP C[NH+](C)C1(C)CCC(NC(=O)C2(O)C[NH2+]C2)CC1 ZINC001341636409 889637903 /nfs/dbraw/zinc/63/79/03/889637903.db2.gz GITYRWQUKHWWBZ-UHFFFAOYSA-N 2 0 255.362 -0.300 20 0 CBADRP [NH3+]CC1(C(=O)N2CCC3(C2)CC[NH2+]CC3)CC(O)C1 ZINC001341644401 889640376 /nfs/dbraw/zinc/64/03/76/889640376.db2.gz RPMUJQMBMUPZLE-UHFFFAOYSA-N 2 0 267.373 -0.312 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC001341660088 889642469 /nfs/dbraw/zinc/64/24/69/889642469.db2.gz RUKUDFBSAYEBQC-UPJWGTAASA-N 2 0 266.389 -0.367 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C[C@@H](O)C[NH2+]1 ZINC001341664709 889643161 /nfs/dbraw/zinc/64/31/61/889643161.db2.gz DLZZDNFSWIPBCF-BNOWGMLFSA-N 2 0 267.373 -0.299 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001341664688 889643559 /nfs/dbraw/zinc/64/35/59/889643559.db2.gz DBUWRWRAIXBJAN-LOWVWBTDSA-N 2 0 253.346 -0.831 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001341677635 889644997 /nfs/dbraw/zinc/64/49/97/889644997.db2.gz QVFMNCJKANXPNG-TZMCWYRMSA-N 2 0 269.389 -0.051 20 0 CBADRP [NH3+]CC1(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC(O)C1 ZINC001341687085 889649804 /nfs/dbraw/zinc/64/98/04/889649804.db2.gz POXAEKKWFSGJLY-JJOYANBFSA-N 2 0 253.346 -0.703 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001341708177 889653043 /nfs/dbraw/zinc/65/30/43/889653043.db2.gz HEKHLAQTGOGDJX-BDAKNGLRSA-N 2 0 283.294 -0.040 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001341733047 889654106 /nfs/dbraw/zinc/65/41/06/889654106.db2.gz NTIZYLBQTVDNLG-SGESHTKJSA-N 2 0 267.373 -0.302 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@]23CC[C@H]2C[NH2+]C3)CC1 ZINC001341731882 889654890 /nfs/dbraw/zinc/65/48/90/889654890.db2.gz HAFODQVQMMNBPY-JSGCOSHPSA-N 2 0 266.389 -0.650 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001341733051 889654938 /nfs/dbraw/zinc/65/49/38/889654938.db2.gz NTIZYLBQTVDNLG-XVSYOHENSA-N 2 0 267.373 -0.302 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@H]([NH3+])C1CC1 ZINC001341734512 889655508 /nfs/dbraw/zinc/65/55/08/889655508.db2.gz VQCFTDSXTKRHLM-USWWRNFRSA-N 2 0 252.362 -0.772 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)C1 ZINC001341748901 889657775 /nfs/dbraw/zinc/65/77/75/889657775.db2.gz UIZQHCPZHABKMC-XQHKEYJVSA-N 2 0 266.389 -0.430 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C[C@@H](O)C[NH2+]1 ZINC001341754659 889658344 /nfs/dbraw/zinc/65/83/44/889658344.db2.gz WFLZPJXSGAAQJP-RAIGVLPGSA-N 2 0 253.346 -0.689 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001341763556 889659865 /nfs/dbraw/zinc/65/98/65/889659865.db2.gz FERKXJMUGONKQX-UTUOFQBUSA-N 2 0 254.378 -0.511 20 0 CBADRP CC1([NH3+])CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001341764586 889660501 /nfs/dbraw/zinc/66/05/01/889660501.db2.gz IPAHEFRZMFBDAN-CYBMUJFWSA-N 2 0 255.362 -0.169 20 0 CBADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001341776869 889661275 /nfs/dbraw/zinc/66/12/75/889661275.db2.gz CCDLTHBBXLIHLO-KATARQTJSA-N 2 0 259.300 -0.045 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1NC(=O)CC12CC[NH2+]CC2 ZINC001341780447 889663597 /nfs/dbraw/zinc/66/35/97/889663597.db2.gz KHMXTTBQTMOQIO-SECBINFHSA-N 2 0 254.334 -0.630 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001341807237 889666651 /nfs/dbraw/zinc/66/66/51/889666651.db2.gz GDUFHCBSIJXPEP-GFCCVEGCSA-N 2 0 255.362 -0.051 20 0 CBADRP CC(C)([NH3+])C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001341821595 889668238 /nfs/dbraw/zinc/66/82/38/889668238.db2.gz BBHIGNXBOKWXMZ-UHFFFAOYSA-N 2 0 256.394 -0.085 20 0 CBADRP O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCNCC[NH2+]CC1 ZINC001341836853 889670660 /nfs/dbraw/zinc/67/06/60/889670660.db2.gz AKNKRLQBYNSUGW-STQMWFEESA-N 2 0 266.389 -0.462 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001341865455 889676388 /nfs/dbraw/zinc/67/63/88/889676388.db2.gz RPKHOVUNXBGHKQ-OPDFLTKYSA-N 2 0 267.373 -0.131 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC001341856411 889676523 /nfs/dbraw/zinc/67/65/23/889676523.db2.gz AYDPEQLUEBWHTI-AAEUAGOBSA-N 2 0 255.362 -0.320 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001341861104 889676611 /nfs/dbraw/zinc/67/66/11/889676611.db2.gz ZORUPHLPPGYOCK-ZWNOBZJWSA-N 2 0 255.362 -0.456 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001341860993 889676687 /nfs/dbraw/zinc/67/66/87/889676687.db2.gz YRMKOZJEQZMOEV-BREBYQMCSA-N 2 0 255.362 -0.328 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[C@@H]1C[NH3+] ZINC001341870119 889676783 /nfs/dbraw/zinc/67/67/83/889676783.db2.gz BLLGCGYEZAYDMD-UPJWGTAASA-N 2 0 296.415 -0.373 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001341858150 889677142 /nfs/dbraw/zinc/67/71/42/889677142.db2.gz MWPYZCDUAPUYJE-OCCSQVGLSA-N 2 0 285.388 -0.693 20 0 CBADRP [NH3+]CC1(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)CC(O)C1 ZINC001341894431 889679422 /nfs/dbraw/zinc/67/94/22/889679422.db2.gz RPUJNBSYXXOQBE-XSRFYTQQSA-N 2 0 267.373 -0.123 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001341951781 889689598 /nfs/dbraw/zinc/68/95/98/889689598.db2.gz RVMZUFRZSISZKK-NWDGAFQWSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001341983487 889694998 /nfs/dbraw/zinc/69/49/98/889694998.db2.gz OEGDBOAUXBOTPO-RNJOBUHISA-N 2 0 266.389 -0.382 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC001342010531 889696982 /nfs/dbraw/zinc/69/69/82/889696982.db2.gz ITVAQLUQVLURGD-NWDGAFQWSA-N 2 0 255.362 -0.192 20 0 CBADRP O=C(NCC1(O)C[NH2+]C1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001342087781 889707937 /nfs/dbraw/zinc/70/79/37/889707937.db2.gz PXBZBUJZXCXFBR-LBPRGKRZSA-N 2 0 261.325 -0.849 20 0 CBADRP C[C@]1(C(=O)N2CCC3(C[NH2+]C3)CC2)C[NH2+]CCO1 ZINC001342078645 889708267 /nfs/dbraw/zinc/70/82/67/889708267.db2.gz XGQDIPYVRXJLDR-GFCCVEGCSA-N 2 0 253.346 -0.423 20 0 CBADRP [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)[C@@H]1C[NH2+]CCO1 ZINC001342084382 889708528 /nfs/dbraw/zinc/70/85/28/889708528.db2.gz DGZHLLZZFWEQMB-GMXVVIOVSA-N 2 0 253.346 -0.295 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001448770429 913373244 /nfs/dbraw/zinc/37/32/44/913373244.db2.gz JRWJYTGJUQQHCG-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC001342126594 889713651 /nfs/dbraw/zinc/71/36/51/889713651.db2.gz QLLCLULFYPDEMQ-SDDRHHMPSA-N 2 0 265.357 -0.236 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)C1=CCC[NH2+]CC1 ZINC001342126314 889713767 /nfs/dbraw/zinc/71/37/67/889713767.db2.gz QCMXYYKETNXYMO-NSHDSACASA-N 2 0 251.330 -0.457 20 0 CBADRP C[C@@]1(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CCC[NH2+]C1 ZINC001342125554 889714742 /nfs/dbraw/zinc/71/47/42/889714742.db2.gz KZNYASCWGAKELG-ZYHUDNBSSA-N 2 0 253.346 -0.377 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001342127143 889714856 /nfs/dbraw/zinc/71/48/56/889714856.db2.gz SWHUFUHVTJTLJV-MNOVXSKESA-N 2 0 253.346 -0.377 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001342155525 889722498 /nfs/dbraw/zinc/72/24/98/889722498.db2.gz KFHFBAXPACSQFJ-LBPRGKRZSA-N 2 0 256.394 -0.452 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC001342190680 889729865 /nfs/dbraw/zinc/72/98/65/889729865.db2.gz TYCXQLCRPWEDRZ-WZRBSPASSA-N 2 0 252.362 -0.770 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC001342190677 889730643 /nfs/dbraw/zinc/73/06/43/889730643.db2.gz TYCXQLCRPWEDRZ-DMDPSCGWSA-N 2 0 252.362 -0.770 20 0 CBADRP CCN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]C1 ZINC001342274826 889744522 /nfs/dbraw/zinc/74/45/22/889744522.db2.gz APOSSECGMOJEOC-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)CCC12CC(C1)C[NH2+]2 ZINC001342295604 889749096 /nfs/dbraw/zinc/74/90/96/889749096.db2.gz MFOQJEFSVFHWHM-MBHSVXNSSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH2+]C1CC(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC001342299427 889749220 /nfs/dbraw/zinc/74/92/20/889749220.db2.gz QWYBRRGVEOKOPF-MCIGGMRASA-N 2 0 282.388 -0.560 20 0 CBADRP CC(C)[C@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)O)CC[N@@H+]1C ZINC001342305916 889749373 /nfs/dbraw/zinc/74/93/73/889749373.db2.gz CRZADSVGHAESQG-GHMZBOCLSA-N 2 0 257.378 -0.117 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@@H]1[NH2+]CC12CCCC2 ZINC001342301406 889750565 /nfs/dbraw/zinc/75/05/65/889750565.db2.gz JOKVFWFXZZMUNP-NSHDSACASA-N 2 0 255.362 -0.129 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)c1ccnc(C[NH3+])c1 ZINC001342296692 889751195 /nfs/dbraw/zinc/75/11/95/889751195.db2.gz TVQACMHPVDKRRV-GFCCVEGCSA-N 2 0 264.329 -0.399 20 0 CBADRP O=C(CC[NH2+]CC1CC1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001342329527 889755310 /nfs/dbraw/zinc/75/53/10/889755310.db2.gz DLRGYWJKIUMBLU-CYBMUJFWSA-N 2 0 269.389 -0.051 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC001342350897 889759428 /nfs/dbraw/zinc/75/94/28/889759428.db2.gz VPGGJYFOZDGXER-LOWVWBTDSA-N 2 0 257.378 -0.067 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC001342348999 889758569 /nfs/dbraw/zinc/75/85/69/889758569.db2.gz NLHVXTVUCIUZHK-RKDXNWHRSA-N 2 0 265.304 -0.730 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCOCC1 ZINC001342365765 889762689 /nfs/dbraw/zinc/76/26/89/889762689.db2.gz ZAVLNHNKIFRXKV-VWYCJHECSA-N 2 0 253.346 -0.297 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001342392471 889766691 /nfs/dbraw/zinc/76/66/91/889766691.db2.gz OQCDWQAPQNESER-UJPOAAIJSA-N 2 0 269.389 -0.150 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001342391390 889766972 /nfs/dbraw/zinc/76/69/72/889766972.db2.gz FNUSLQGXAHCAHF-CYDGBPFRSA-N 2 0 269.389 -0.245 20 0 CBADRP [NH3+]CCNCC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001342402186 889769356 /nfs/dbraw/zinc/76/93/56/889769356.db2.gz XYCYIMPOVYLTMH-ZDUSSCGKSA-N 2 0 254.378 -0.473 20 0 CBADRP [NH3+]CCNCC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001342402183 889770971 /nfs/dbraw/zinc/77/09/71/889770971.db2.gz XYCYIMPOVYLTMH-CYBMUJFWSA-N 2 0 254.378 -0.473 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001342414205 889771082 /nfs/dbraw/zinc/77/10/82/889771082.db2.gz CSSLRLVGLGOIKX-KXNHARMFSA-N 2 0 252.362 -0.901 20 0 CBADRP CN(CCCCCC[NH3+])C(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001342435384 889774698 /nfs/dbraw/zinc/77/46/98/889774698.db2.gz GHRUGXYFZVNGKL-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP CCN(C(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C)[C@@H]1CC[NH2+]C1 ZINC001342476725 889781954 /nfs/dbraw/zinc/78/19/54/889781954.db2.gz VVUWXJAMOVUPOQ-XQQFMLRXSA-N 2 0 266.389 -0.415 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N=c1nc(C2CC[NH2+]CC2)[nH]n1C ZINC001342483591 889783356 /nfs/dbraw/zinc/78/33/56/889783356.db2.gz JESOHEAXMDQOMV-QMMMGPOBSA-N 2 0 266.349 -0.763 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC001342572022 889794703 /nfs/dbraw/zinc/79/47/03/889794703.db2.gz HNYBOOWRBVHTQZ-OUJBWJOFSA-N 2 0 255.362 -0.051 20 0 CBADRP CC1(C)CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)C[C@H]1[NH3+] ZINC001342570780 889795118 /nfs/dbraw/zinc/79/51/18/889795118.db2.gz ABZXTRQEYWZKRB-MFKMUULPSA-N 2 0 255.362 -0.313 20 0 CBADRP O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1C[NH2+]CCO1 ZINC001342587757 889797533 /nfs/dbraw/zinc/79/75/33/889797533.db2.gz FAHQPHINCJNIEL-NQBHXWOUSA-N 2 0 253.346 -0.377 20 0 CBADRP [NH3+]CCNCC(=O)N1C[C@H](C[NH3+])Cc2cc(F)ccc21 ZINC001342605452 889799494 /nfs/dbraw/zinc/79/94/94/889799494.db2.gz DHCSGWJUWFDEJC-JTQLQIEISA-N 2 0 280.347 -0.162 20 0 CBADRP [NH3+]CCc1nc(C(=O)N2CCNCC[NH2+]CC2)cs1 ZINC001342623357 889804030 /nfs/dbraw/zinc/80/40/30/889804030.db2.gz RZFWMKGRIKZSHU-UHFFFAOYSA-N 2 0 283.401 -0.721 20 0 CBADRP CC[NH+](CC)CC[C@H](C)NC(=O)CNC(=O)C[NH3+] ZINC001342630520 889804844 /nfs/dbraw/zinc/80/48/44/889804844.db2.gz DZLYHCBVWCCUEL-JTQLQIEISA-N 2 0 258.366 -0.702 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001342628407 889805256 /nfs/dbraw/zinc/80/52/56/889805256.db2.gz OYSNZROYMQZZNX-CYBMUJFWSA-N 2 0 253.346 -0.606 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)C[C@H]1C[NH3+] ZINC001342663058 889812368 /nfs/dbraw/zinc/81/23/68/889812368.db2.gz BGRFBXKVTIIJSD-DGCLKSJQSA-N 2 0 269.389 -0.256 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001342664346 889813588 /nfs/dbraw/zinc/81/35/88/889813588.db2.gz OJEWGYLSJPHGEF-OUCADQQQSA-N 2 0 267.373 -0.441 20 0 CBADRP C[C@@]1(C(=O)NCCCCCN2CC[NH2+]CC2)C[C@H](O)C[NH2+]1 ZINC001342678230 889815157 /nfs/dbraw/zinc/81/51/57/889815157.db2.gz AKNIIUXPVKHJOA-ZFWWWQNUSA-N 2 0 298.431 -0.709 20 0 CBADRP O=C(C[NH2+]C1CC1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001342695835 889818788 /nfs/dbraw/zinc/81/87/88/889818788.db2.gz KYCQKSNHXLXLFW-OLZOCXBDSA-N 2 0 267.373 -0.204 20 0 CBADRP CN(C(=O)c1csc(CC[NH3+])n1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001342789537 889828740 /nfs/dbraw/zinc/82/87/40/889828740.db2.gz AAAPJLXYFOSLJU-VROVMSAKSA-N 2 0 266.370 -0.066 20 0 CBADRP CN(C(=O)[C@@]1(C[NH3+])CCCOC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001342792674 889829665 /nfs/dbraw/zinc/82/96/65/889829665.db2.gz XDUAQVZVANFJEH-MPPDQPJWSA-N 2 0 253.346 -0.582 20 0 CBADRP CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1)C(N)=O ZINC001448794035 913386699 /nfs/dbraw/zinc/38/66/99/913386699.db2.gz XAHLDKJUNFPNAD-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@H]2C[NH2+]CC23CC3)nn1 ZINC001342864918 889834559 /nfs/dbraw/zinc/83/45/59/889834559.db2.gz AETRPNYENBIDAP-JTQLQIEISA-N 2 0 264.333 -0.891 20 0 CBADRP [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)[C@H]1C[NH2+]CCO1 ZINC001342958271 889848541 /nfs/dbraw/zinc/84/85/41/889848541.db2.gz DGZHLLZZFWEQMB-WZRBSPASSA-N 2 0 253.346 -0.295 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]([NH3+])C(C)(C)O)C[C@]2(C)C1 ZINC001342994803 889851201 /nfs/dbraw/zinc/85/12/01/889851201.db2.gz PTWOTOMUVJGFHZ-BREBYQMCSA-N 2 0 255.362 -0.505 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC001342996508 889856456 /nfs/dbraw/zinc/85/64/56/889856456.db2.gz ZVHPCMSRRLHQEP-NSHDSACASA-N 2 0 259.350 -0.941 20 0 CBADRP C[NH2+]C1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001343039208 889859822 /nfs/dbraw/zinc/85/98/22/889859822.db2.gz XLTRSCIDPRTPKY-UHFFFAOYSA-N 2 0 269.389 -0.099 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001343036937 889859931 /nfs/dbraw/zinc/85/99/31/889859931.db2.gz ISQMARFVRWDJAK-YNEHKIRRSA-N 2 0 268.405 -0.136 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC001343087983 889867117 /nfs/dbraw/zinc/86/71/17/889867117.db2.gz VFQLJZNJUPDYSR-OPRDCNLKSA-N 2 0 263.345 -0.046 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC001343180146 889876188 /nfs/dbraw/zinc/87/61/88/889876188.db2.gz PLZUBYBMYCSFCU-TUAOUCFPSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC001343199447 889877183 /nfs/dbraw/zinc/87/71/83/889877183.db2.gz CJMKSWPYVRPAHY-NAKRPEOUSA-N 2 0 253.346 -0.264 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C[C@H](C)O1 ZINC001343372771 889896476 /nfs/dbraw/zinc/89/64/76/889896476.db2.gz XPJKKFCEJTWOKY-COMQUAJESA-N 2 0 299.415 -0.285 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC001343391926 889899049 /nfs/dbraw/zinc/89/90/49/889899049.db2.gz MGLGYZZQZDCARE-AAEUAGOBSA-N 2 0 269.389 -0.243 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001343421157 889906828 /nfs/dbraw/zinc/90/68/28/889906828.db2.gz NOSUVIBDMSFMQS-MDZLAQPJSA-N 2 0 255.362 -0.348 20 0 CBADRP COCC[NH2+]CCNC(=O)c1ccn(CCC[NH3+])n1 ZINC001343457904 889913383 /nfs/dbraw/zinc/91/33/83/889913383.db2.gz HMJJHYOYGNDEAN-UHFFFAOYSA-N 2 0 269.349 -0.802 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccn2)CCO1 ZINC001343467453 889915921 /nfs/dbraw/zinc/91/59/21/889915921.db2.gz NLHMGZNEMJYKFA-VXGBXAGGSA-N 2 0 264.329 -0.863 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001343472027 889915974 /nfs/dbraw/zinc/91/59/74/889915974.db2.gz CBHFNSHFIXOXPH-WZRBSPASSA-N 2 0 255.362 -0.123 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001343475087 889916091 /nfs/dbraw/zinc/91/60/91/889916091.db2.gz UHRWVKDBQNPSSV-GRYCIOLGSA-N 2 0 252.362 -0.757 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCN2C)CC[C@H]1[NH3+] ZINC001343486546 889918035 /nfs/dbraw/zinc/91/80/35/889918035.db2.gz KXLSQLFKZCEOKH-UTUOFQBUSA-N 2 0 254.378 -0.524 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC[C@H]1[NH3+] ZINC001343487208 889918182 /nfs/dbraw/zinc/91/81/82/889918182.db2.gz MJEANILJEPEEET-XZUYRWCXSA-N 2 0 255.362 -0.315 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[C@H]1[NH3+] ZINC001343489459 889922449 /nfs/dbraw/zinc/92/24/49/889922449.db2.gz SMPKVNPHQOCECN-FRRDWIJNSA-N 2 0 296.415 -0.231 20 0 CBADRP COC[C@]1(C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCC[NH2+]1 ZINC001343574283 889934062 /nfs/dbraw/zinc/93/40/62/889934062.db2.gz IKUMAZBVYMKSIB-SFTQSGBHSA-N 2 0 267.373 -0.179 20 0 CBADRP C[NH+](C)CCOCCNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001343578339 889936663 /nfs/dbraw/zinc/93/66/63/889936663.db2.gz UXVIBNDBSWFKIW-AWEZNQCLSA-N 2 0 298.387 -0.421 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CC[NH2+]CC3)[C@H]2C1 ZINC001343592652 889939357 /nfs/dbraw/zinc/93/93/57/889939357.db2.gz PIBCLQWRCVQQLC-AVGNSLFASA-N 2 0 266.389 -0.652 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2C[C@@H]([NH3+])C2)CC1=O ZINC001343623432 889942263 /nfs/dbraw/zinc/94/22/63/889942263.db2.gz HRKIQHQCPQNGKW-MXWKQRLJSA-N 2 0 268.361 -0.998 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC001343655861 889944015 /nfs/dbraw/zinc/94/40/15/889944015.db2.gz PCPXNYJXZWLVRE-ONYIWYLUSA-N 2 0 253.346 -0.570 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCC[C@H]1CCC[NH2+]CC1 ZINC001343675041 889947262 /nfs/dbraw/zinc/94/72/62/889947262.db2.gz FRBDLOZWAWHZEY-TUAOUCFPSA-N 2 0 255.362 -0.001 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001343713562 889952871 /nfs/dbraw/zinc/95/28/71/889952871.db2.gz GWKPLBPTGUKWNX-RYUDHWBXSA-N 2 0 254.378 -0.604 20 0 CBADRP [NH3+]CC1(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CCCC1 ZINC001344001131 889988143 /nfs/dbraw/zinc/98/81/43/889988143.db2.gz ZZAYFBOKFRLICG-SNVBAGLBSA-N 2 0 253.346 -0.247 20 0 CBADRP Cn1nccc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001448819135 913402517 /nfs/dbraw/zinc/40/25/17/913402517.db2.gz DUZXTHHCBPVDRG-DGCLKSJQSA-N 2 0 295.387 -0.919 20 0 CBADRP C[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)[C@H]([NH3+])c1ccccc1 ZINC001344082644 890000835 /nfs/dbraw/zinc/00/08/35/890000835.db2.gz YPBDBTHKXHNTET-XEZLXBQYSA-N 2 0 263.341 -0.229 20 0 CBADRP [NH3+]CC1(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC(O)C1 ZINC001344103077 890003730 /nfs/dbraw/zinc/00/37/30/890003730.db2.gz UQFAPTRFERNJAG-WIUHASLOSA-N 2 0 253.346 -0.574 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC001344115967 890004949 /nfs/dbraw/zinc/00/49/49/890004949.db2.gz PZANCQGRUPGLEM-SRVKXCTJSA-N 2 0 257.378 -0.341 20 0 CBADRP CC[C@]1(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)CC[NH2+]C1 ZINC001344373744 890019944 /nfs/dbraw/zinc/01/99/44/890019944.db2.gz IVXSSNREMKVAJZ-OCCSQVGLSA-N 2 0 269.389 -0.051 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC001344421389 890027141 /nfs/dbraw/zinc/02/71/41/890027141.db2.gz HENAYPZZBAAANO-NXEZZACHSA-N 2 0 257.378 -0.021 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001344504672 890033961 /nfs/dbraw/zinc/03/39/61/890033961.db2.gz HUROBEAVRCJPCB-NRUUGDAUSA-N 2 0 269.345 -0.332 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCC(C)(C)[NH3+] ZINC001344548246 890040285 /nfs/dbraw/zinc/04/02/85/890040285.db2.gz MRZZORIOLHCULV-QWRGUYRKSA-N 2 0 254.378 -0.382 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC001344709244 890056268 /nfs/dbraw/zinc/05/62/68/890056268.db2.gz XLGUTSLWAUBBST-OCCSQVGLSA-N 2 0 266.389 -0.475 20 0 CBADRP [NH3+][C@H](CO)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001344730379 890056491 /nfs/dbraw/zinc/05/64/91/890056491.db2.gz IJWKRHPPULWOKJ-LYFYHCNISA-N 2 0 255.240 -0.956 20 0 CBADRP CC1(C)CN(C(=O)[C@]2(C[NH3+])CCCOC2)C[C@@H]1[NH3+] ZINC001344766923 890061464 /nfs/dbraw/zinc/06/14/64/890061464.db2.gz SQFMFATXVNHWLF-GWCFXTLKSA-N 2 0 255.362 -0.062 20 0 CBADRP C[NH2+]CCN(C(=O)C[C@@]1(O)CCC[NH2+]C1)C(C)C ZINC001344811557 890068932 /nfs/dbraw/zinc/06/89/32/890068932.db2.gz DAVOTANFWCIELH-ZDUSSCGKSA-N 2 0 257.378 -0.053 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001344828816 890069430 /nfs/dbraw/zinc/06/94/30/890069430.db2.gz AUBZYYHTYFYSLC-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]1CN(C(=O)c2c(C[NH3+])cnn2C)CC[C@@H]1C[NH3+] ZINC001345010808 890089431 /nfs/dbraw/zinc/08/94/31/890089431.db2.gz KZLBLXWVUMGLLL-VHSXEESVSA-N 2 0 265.361 -0.064 20 0 CBADRP [NH3+]C[C@@]12CC[C@@H]1CCCN2CC(=O)N1CC[NH2+]CC1 ZINC001345137332 890102581 /nfs/dbraw/zinc/10/25/81/890102581.db2.gz LTBKWCUYFUBYGS-JSGCOSHPSA-N 2 0 266.389 -0.379 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001345165835 890106334 /nfs/dbraw/zinc/10/63/34/890106334.db2.gz DBFDRDSMRAEUTJ-DCAQKATOSA-N 2 0 270.377 -0.561 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001345379759 890124861 /nfs/dbraw/zinc/12/48/61/890124861.db2.gz FWIXBLAQGOVHJO-QWRGUYRKSA-N 2 0 282.388 -0.702 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001345379756 890125002 /nfs/dbraw/zinc/12/50/02/890125002.db2.gz FWIXBLAQGOVHJO-GHMZBOCLSA-N 2 0 282.388 -0.702 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N[C@@H]1CC12CC[NH2+]CC2 ZINC001345597718 890144982 /nfs/dbraw/zinc/14/49/82/890144982.db2.gz SUWKRUGYTYYARL-WDEREUQCSA-N 2 0 253.346 -0.377 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCOC2)CC1 ZINC001345604582 890146719 /nfs/dbraw/zinc/14/67/19/890146719.db2.gz CDBHESFPPZOSLU-QWHCGFSZSA-N 2 0 257.378 -0.779 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCC[C@@]12CC[NH2+]C2 ZINC001345627678 890149310 /nfs/dbraw/zinc/14/93/10/890149310.db2.gz YWTAIZWPAGEAIH-KBPBESRZSA-N 2 0 267.373 -0.155 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC001345810356 890166751 /nfs/dbraw/zinc/16/67/51/890166751.db2.gz CGLGTVMDEJENGU-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP CC(C)(C(=O)NC[C@@H](CO)[NH2+]CCO)[NH+]1CCCCC1 ZINC001448846569 913422371 /nfs/dbraw/zinc/42/23/71/913422371.db2.gz RXJZLFWOURXJJU-LBPRGKRZSA-N 2 0 287.404 -0.690 20 0 CBADRP Cc1c(C(=O)NCCC[NH3+])nnn1C1CC[NH2+]CC1 ZINC001345793165 890167237 /nfs/dbraw/zinc/16/72/37/890167237.db2.gz SLBXCUQVTWJNHK-UHFFFAOYSA-N 2 0 266.349 -0.410 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC1=CC[NH2+]CC1 ZINC001345826060 890169033 /nfs/dbraw/zinc/16/90/33/890169033.db2.gz OTIXNIQSGZKJLE-LBPRGKRZSA-N 2 0 280.372 -0.719 20 0 CBADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC001345925827 890180431 /nfs/dbraw/zinc/18/04/31/890180431.db2.gz COHQGXWXXYZKDF-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)(C(=O)NC[C@H](CO)[NH2+]CCO)[NH+]1CCCCC1 ZINC001448846563 913423594 /nfs/dbraw/zinc/42/35/94/913423594.db2.gz RXJZLFWOURXJJU-GFCCVEGCSA-N 2 0 287.404 -0.690 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC001346104661 890215433 /nfs/dbraw/zinc/21/54/33/890215433.db2.gz CPPKLWDJYQYFEL-TZMCWYRMSA-N 2 0 266.389 -0.650 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCN2CCCCC2)CC1 ZINC001346183084 890232818 /nfs/dbraw/zinc/23/28/18/890232818.db2.gz YDVRJGOLWSPGBX-HNNXBMFYSA-N 2 0 284.448 -0.330 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH+](C)C1CC1 ZINC001346309687 890263800 /nfs/dbraw/zinc/26/38/00/890263800.db2.gz ZPWRTFDTLJHFML-YPMHNXCESA-N 2 0 266.389 -0.415 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC001346321407 890268171 /nfs/dbraw/zinc/26/81/71/890268171.db2.gz VKPOBEUZSUQERN-RYUDHWBXSA-N 2 0 256.394 -0.147 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)NC[C@H]2CCC[NH2+]CC2)C1=O ZINC001346442132 890290578 /nfs/dbraw/zinc/29/05/78/890290578.db2.gz VQTAYLVSSLKSLL-QWHCGFSZSA-N 2 0 296.415 -0.310 20 0 CBADRP C[C@@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC001346464849 890296480 /nfs/dbraw/zinc/29/64/80/890296480.db2.gz XZFDHDHGEUREJO-ZIAGYGMSSA-N 2 0 297.447 -0.092 20 0 CBADRP C[NH2+]CCNC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001346462024 890297698 /nfs/dbraw/zinc/29/76/98/890297698.db2.gz FDPIKQSCEMTPSS-RNFRBKRXSA-N 2 0 254.256 -0.263 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)NC/C=C/C[NH3+] ZINC001346491659 890303272 /nfs/dbraw/zinc/30/32/72/890303272.db2.gz WVFVHBPVIXOOEI-VUDBWIFFSA-N 2 0 256.350 -0.479 20 0 CBADRP CCO[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])C[NH+](C)C ZINC001346491880 890304237 /nfs/dbraw/zinc/30/42/37/890304237.db2.gz YUMIWDOKCRUSBW-GARJFASQSA-N 2 0 260.382 -0.012 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C[C@]2(C)C1 ZINC001346491370 890304925 /nfs/dbraw/zinc/30/49/25/890304925.db2.gz UFVNOGOOIGWIAK-JLDUMIBSSA-N 2 0 264.373 -0.203 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC001346526248 890313864 /nfs/dbraw/zinc/31/38/64/890313864.db2.gz MICQNIKJUARYBQ-OUAUKWLOSA-N 2 0 256.350 -0.871 20 0 CBADRP Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)cn1 ZINC001448884668 913439230 /nfs/dbraw/zinc/43/92/30/913439230.db2.gz FLFGPDJECOYXSK-CYBMUJFWSA-N 2 0 295.387 -0.697 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)CC[NH+](C)C ZINC001346611698 890333570 /nfs/dbraw/zinc/33/35/70/890333570.db2.gz LULZJFXQDBAESR-RYUDHWBXSA-N 2 0 254.378 -0.605 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCCOC1 ZINC001448889570 913442785 /nfs/dbraw/zinc/44/27/85/913442785.db2.gz NVFATSJTDJNTHL-OLZOCXBDSA-N 2 0 287.404 -0.569 20 0 CBADRP C([C@@H]1C[NH2+]CCO1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001347145860 890416205 /nfs/dbraw/zinc/41/62/05/890416205.db2.gz QPAQDANGUSHEAM-KBPBESRZSA-N 2 0 269.389 -0.371 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)nn1 ZINC001347157482 890419087 /nfs/dbraw/zinc/41/90/87/890419087.db2.gz MPHBEUCJIQRJOM-DTWKUNHWSA-N 2 0 252.322 -0.764 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@H]1CCO[C@@H]1C[NH3+])C(F)F ZINC001347156721 890419435 /nfs/dbraw/zinc/41/94/35/890419435.db2.gz CDIRVXKFTVPLSB-BIIVOSGPSA-N 2 0 251.277 -0.551 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001347174212 890425170 /nfs/dbraw/zinc/42/51/70/890425170.db2.gz BAWSYUDUKARHFX-YPMHNXCESA-N 2 0 255.362 -0.394 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@@H]1CCC[NH+]1C ZINC001347361486 890455151 /nfs/dbraw/zinc/45/51/51/890455151.db2.gz HAVCGDSYTGRITF-FRRDWIJNSA-N 2 0 266.389 -0.415 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]C[C@H]1CCCOC1 ZINC001448962087 913470030 /nfs/dbraw/zinc/47/00/30/913470030.db2.gz ZKVWBXHSMIZGQX-KGLIPLIRSA-N 2 0 299.415 -0.425 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC001348308655 890592463 /nfs/dbraw/zinc/59/24/63/890592463.db2.gz OUUVQCNOHDALLQ-HBNTYKKESA-N 2 0 268.361 -0.937 20 0 CBADRP C[C@@H](F)CC[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001448947770 913466890 /nfs/dbraw/zinc/46/68/90/913466890.db2.gz OGLBDNZMWFYSDQ-NEPJUHHUSA-N 2 0 287.379 -0.103 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]C[C@@H]1CCCOC1 ZINC001448962090 913472065 /nfs/dbraw/zinc/47/20/65/913472065.db2.gz ZKVWBXHSMIZGQX-UONOGXRCSA-N 2 0 299.415 -0.425 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001348575344 890653697 /nfs/dbraw/zinc/65/36/97/890653697.db2.gz WPMURBKSEDXUNX-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001348836899 890708899 /nfs/dbraw/zinc/70/88/99/890708899.db2.gz HYLLHFODBWZHLW-FIQHERPVSA-N 2 0 280.372 -0.950 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001348958822 890737859 /nfs/dbraw/zinc/73/78/59/890737859.db2.gz YOZVUZSJIMVIJM-GDBMZVCRSA-N 3 0 296.459 -0.331 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001449025695 913482807 /nfs/dbraw/zinc/48/28/07/913482807.db2.gz VDHANNKDAAGATP-VXGBXAGGSA-N 2 0 284.404 -0.348 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCNC(=O)C[NH+]2CCCC2)C1 ZINC001349029415 890748866 /nfs/dbraw/zinc/74/88/66/890748866.db2.gz OWSOXHVFLPUSAH-ZDUSSCGKSA-N 2 0 296.415 -0.344 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCNC(=O)C[NH+]2CCCC2)C1 ZINC001349029413 890749245 /nfs/dbraw/zinc/74/92/45/890749245.db2.gz OWSOXHVFLPUSAH-CYBMUJFWSA-N 2 0 296.415 -0.344 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N[C@@H]1CC12CC[NH2+]CC2 ZINC001349227832 890781004 /nfs/dbraw/zinc/78/10/04/890781004.db2.gz MGXKOCZAMARVMA-GHMZBOCLSA-N 2 0 253.346 -0.377 20 0 CBADRP C[NH2+]CCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC001349386450 890804913 /nfs/dbraw/zinc/80/49/13/890804913.db2.gz OEOJOMWZBBRKJW-UHFFFAOYSA-N 2 0 251.334 -0.703 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)nn1 ZINC001349399169 890807142 /nfs/dbraw/zinc/80/71/42/890807142.db2.gz YUIHCGOFOZBYLY-WCQYABFASA-N 3 0 264.377 -0.017 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(CC(N)=O)C1 ZINC001349471764 890820947 /nfs/dbraw/zinc/82/09/47/890820947.db2.gz DIYWCOUGILXWPC-MWLCHTKSSA-N 2 0 256.350 -0.964 20 0 CBADRP CC[NH2+]CCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001349585023 890840544 /nfs/dbraw/zinc/84/05/44/890840544.db2.gz IVXPXAFVCKSFEI-KRWDZBQOSA-N 2 0 261.391 -0.787 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC001349600318 890846798 /nfs/dbraw/zinc/84/67/98/890846798.db2.gz SKIVPCNTVHRRSP-OLZOCXBDSA-N 2 0 268.405 -0.119 20 0 CBADRP C[C@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)C1CC[NH2+]CC1 ZINC001349620995 890852033 /nfs/dbraw/zinc/85/20/33/890852033.db2.gz NRNRHQSTBHIEHU-WCBMZHEXSA-N 2 0 254.334 -0.406 20 0 CBADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)C(=O)NC1CC1 ZINC001349621516 890852522 /nfs/dbraw/zinc/85/25/22/890852522.db2.gz SIEUJVVKCFCJQI-UHFFFAOYSA-N 2 0 289.339 -0.292 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)=NO1 ZINC001349619904 890852930 /nfs/dbraw/zinc/85/29/30/890852930.db2.gz FHTGAWFMPPKFEZ-PTOFAABTSA-N 2 0 252.318 -0.509 20 0 CBADRP [NH3+]CC1(CCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC001349656888 890861417 /nfs/dbraw/zinc/86/14/17/890861417.db2.gz UQFFVMDTMCTDQR-SNVBAGLBSA-N 2 0 268.361 -0.900 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001349807118 890894088 /nfs/dbraw/zinc/89/40/88/890894088.db2.gz CIZOORQJVHRFNN-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NC(=O)COCC[NH3+] ZINC001349841889 890904062 /nfs/dbraw/zinc/90/40/62/890904062.db2.gz ZLPPPTDJFBGGDW-JLLWLGSASA-N 2 0 255.362 -0.146 20 0 CBADRP CCN(C(=O)CO[C@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC001349909141 890911711 /nfs/dbraw/zinc/91/17/11/890911711.db2.gz USMMPTFCUIKUGR-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC001350224169 890950189 /nfs/dbraw/zinc/95/01/89/890950189.db2.gz SZEMSQIONJKPRD-DCAQKATOSA-N 2 0 256.350 -0.911 20 0 CBADRP C[NH2+]CCCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001350324211 890963416 /nfs/dbraw/zinc/96/34/16/890963416.db2.gz XLOULMLQHVTMEL-UHFFFAOYSA-N 2 0 268.321 -0.950 20 0 CBADRP CC[NH2+]CCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001350396227 890976328 /nfs/dbraw/zinc/97/63/28/890976328.db2.gz AFKMAIXCPZJOFY-UHFFFAOYSA-N 2 0 266.349 -0.458 20 0 CBADRP C[NH+](C)CCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001350405646 890978667 /nfs/dbraw/zinc/97/86/67/890978667.db2.gz SPWUOQDRKYHCID-UHFFFAOYSA-N 2 0 266.349 -0.506 20 0 CBADRP CN(C[C@H](O)C[NH2+]Cc1cnn(C)c1)C(=O)CC[NH+](C)C ZINC001449150545 913521969 /nfs/dbraw/zinc/52/19/69/913521969.db2.gz ZZJALDVRBPNPGJ-CYBMUJFWSA-N 2 0 297.403 -0.719 20 0 CBADRP CN(C[C@H](O)C[NH2+]CC1CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001449162232 913528132 /nfs/dbraw/zinc/52/81/32/913528132.db2.gz PBEJQJSFCNUPOM-CYBMUJFWSA-N 2 0 281.400 -0.099 20 0 CBADRP [NH3+]Cc1cnn(Cc2cn(C[C@H]3CCC[NH2+]3)nn2)c1 ZINC001351747297 891181724 /nfs/dbraw/zinc/18/17/24/891181724.db2.gz MHNVLPCYLRBIFC-LLVKDONJSA-N 2 0 261.333 -0.266 20 0 CBADRP C[NH2+]C[C@@](C)(O)CN1CCC([NH+]2CCN(C)CC2)CC1 ZINC001351798620 891189062 /nfs/dbraw/zinc/18/90/62/891189062.db2.gz APUGGHRQLNBYCF-OAHLLOKOSA-N 2 0 284.448 -0.331 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC001352737087 891286524 /nfs/dbraw/zinc/28/65/24/891286524.db2.gz IEPYVOAVKXYJDV-QWRGUYRKSA-N 2 0 254.378 -0.476 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC001352850792 891308311 /nfs/dbraw/zinc/30/83/11/891308311.db2.gz YDLKHMSCGHIIBB-BDAKNGLRSA-N 2 0 251.334 -0.094 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)NC1(C[NH3+])CCOCC1 ZINC001352850563 891310074 /nfs/dbraw/zinc/31/00/74/891310074.db2.gz UVMPWFHCETUBPX-JTQLQIEISA-N 2 0 259.350 -0.637 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC001352862019 891314058 /nfs/dbraw/zinc/31/40/58/891314058.db2.gz LRCDQRIDPFUSIT-XQQFMLRXSA-N 2 0 268.405 -0.040 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)C1CC[NH2+]CC1 ZINC001352987083 891336879 /nfs/dbraw/zinc/33/68/79/891336879.db2.gz FOPKRHFHIDPNRH-WCQYABFASA-N 2 0 266.389 -0.415 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001353121576 891361374 /nfs/dbraw/zinc/36/13/74/891361374.db2.gz KIJGMQHXNWYHSU-DCAQKATOSA-N 2 0 280.372 -0.807 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@H]3C[C@H](C[NH3+])C3)CC[C@@H]21 ZINC001353193314 891381747 /nfs/dbraw/zinc/38/17/47/891381747.db2.gz GSPSUGYEMFZUHE-LPWJVIDDSA-N 2 0 294.399 -0.608 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC001353200902 891381833 /nfs/dbraw/zinc/38/18/33/891381833.db2.gz JXWHKCNHZAOFLR-LBPRGKRZSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001353261100 891387605 /nfs/dbraw/zinc/38/76/05/891387605.db2.gz RASRWQWPOQFBTQ-YVECIDJPSA-N 2 0 296.415 -0.077 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001353244691 891387659 /nfs/dbraw/zinc/38/76/59/891387659.db2.gz GKJZEBMONVARSE-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC001353251606 891388081 /nfs/dbraw/zinc/38/80/81/891388081.db2.gz HFLCHGSBXUVJKB-CYBMUJFWSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+](C)CCCC[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC001353272655 891390518 /nfs/dbraw/zinc/39/05/18/891390518.db2.gz KHSOBRNGAYPADK-LBPRGKRZSA-N 2 0 260.378 -0.180 20 0 CBADRP C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC001353271544 891391047 /nfs/dbraw/zinc/39/10/47/891391047.db2.gz BSLACEAFJLNBMR-KGLIPLIRSA-N 3 0 270.421 -0.864 20 0 CBADRP C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1=CC[N@H+](C)CC1 ZINC001353292085 891394818 /nfs/dbraw/zinc/39/48/18/891394818.db2.gz ICQLPNAMJPYYCU-NQBHXWOUSA-N 2 0 294.399 -0.394 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC001353299301 891396600 /nfs/dbraw/zinc/39/66/00/891396600.db2.gz NCPDIJVKFYLCGD-XQHKEYJVSA-N 2 0 294.399 -0.417 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001353325806 891404427 /nfs/dbraw/zinc/40/44/27/891404427.db2.gz YTFVCUAANFSLSJ-HAQNSBGRSA-N 2 0 282.388 -0.606 20 0 CBADRP CN(C[C@H](O)C[NH2+]C1CC(CO)(CO)C1)C1CC1 ZINC001353375096 891416341 /nfs/dbraw/zinc/41/63/41/891416341.db2.gz BYVRBLIQOMOJGG-GFCCVEGCSA-N 2 0 258.362 -0.836 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001353390694 891419964 /nfs/dbraw/zinc/41/99/64/891419964.db2.gz PYGOKXPLIFKNAX-LLVKDONJSA-N 2 0 272.393 -0.057 20 0 CBADRP CC[NH2+]CCNC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001353417532 891423398 /nfs/dbraw/zinc/42/33/98/891423398.db2.gz ZOTVFIGQUAMNAE-NSHDSACASA-N 2 0 298.387 -0.420 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001353440954 891428220 /nfs/dbraw/zinc/42/82/20/891428220.db2.gz BBTRDEBCMQSBBS-ZDUSSCGKSA-N 2 0 270.377 -0.111 20 0 CBADRP CCO[C@H](CNC(=O)N1CC[C@H]([NH3+])C1)C[NH+](C)C ZINC001353466183 891431230 /nfs/dbraw/zinc/43/12/30/891431230.db2.gz DICZUGXSRVUHIT-WDEREUQCSA-N 2 0 258.366 -0.304 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]([NH3+])C(C)(C)O)C[C@@H](C)O1 ZINC001353469585 891431616 /nfs/dbraw/zinc/43/16/16/891431616.db2.gz RZSUDKUXUUZTMO-IJLUTSLNSA-N 2 0 287.404 -0.300 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC/C=C/C[NH3+])C1 ZINC001353489115 891433486 /nfs/dbraw/zinc/43/34/86/891433486.db2.gz NHEFKESWLNLZIF-UFFNRZRYSA-N 2 0 270.377 -0.354 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC001353481788 891433677 /nfs/dbraw/zinc/43/36/77/891433677.db2.gz HSVLZPRLJYVOEM-STQMWFEESA-N 2 0 268.405 -0.262 20 0 CBADRP O=C(NCC1C[NH2+]C1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001353490550 891434585 /nfs/dbraw/zinc/43/45/85/891434585.db2.gz XWFJZPUOXIVLJI-VIFPVBQESA-N 2 0 262.304 -0.250 20 0 CBADRP [NH3+][C@H](CO)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC001353526610 891439185 /nfs/dbraw/zinc/43/91/85/891439185.db2.gz MVPHTRKLLKQMFY-GFCCVEGCSA-N 2 0 255.362 -0.217 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001353568955 891446316 /nfs/dbraw/zinc/44/63/16/891446316.db2.gz AFIDSIDGJAENGB-LKSINWNRSA-N 2 0 269.389 -0.114 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)C23CC(C2)C[NH2+]3)CC1 ZINC001353582872 891450710 /nfs/dbraw/zinc/45/07/10/891450710.db2.gz PNGZRVFUSYZQJM-UHFFFAOYSA-N 2 0 266.389 -0.508 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001353602934 891452628 /nfs/dbraw/zinc/45/26/28/891452628.db2.gz WVUNFXJEUWPXLG-FMSGJZPZSA-N 2 0 267.373 -0.192 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001353602736 891453178 /nfs/dbraw/zinc/45/31/78/891453178.db2.gz SKNSTAMRQWLDTB-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@]1(C(=O)N2CCC[C@H](CC[NH3+])C2)C[C@H](O)C[NH2+]1 ZINC001353635504 891456657 /nfs/dbraw/zinc/45/66/57/891456657.db2.gz YLEWLNIKARPZRZ-NTZNESFSSA-N 2 0 255.362 -0.313 20 0 CBADRP N[C@H](CC(=O)NC[C@H]1C[NH2+]CCCO1)C(F)F ZINC001353665668 891457939 /nfs/dbraw/zinc/45/79/39/891457939.db2.gz ISJLBHBGJUMOJH-HTQZYQBOSA-N 2 0 251.277 -0.536 20 0 CBADRP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001353760633 891470986 /nfs/dbraw/zinc/47/09/86/891470986.db2.gz MKEJWGCFWLPIAM-FRRDWIJNSA-N 2 0 267.373 -0.320 20 0 CBADRP C[C@@H]1CC2(CN1C(=O)C[C@H](O)C[NH3+])CC[NH2+]CC2 ZINC001353948851 891490045 /nfs/dbraw/zinc/49/00/45/891490045.db2.gz MXVVPJKCFMRAHO-MNOVXSKESA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@H]1CC2(CN1C(=O)C[C@H](O)C[NH3+])CC[NH2+]CC2 ZINC001353948852 891490244 /nfs/dbraw/zinc/49/02/44/891490244.db2.gz MXVVPJKCFMRAHO-QWRGUYRKSA-N 2 0 255.362 -0.313 20 0 CBADRP O=C(NCC[C@@H]1CSCC[NH2+]1)[C@]1(F)CC[NH2+]C1 ZINC001353948295 891490584 /nfs/dbraw/zinc/49/05/84/891490584.db2.gz FXBBGRLXLGOQMQ-KOLCDFICSA-N 2 0 261.366 -0.101 20 0 CBADRP C[C@@H]1CC2(CN1C(=O)C[C@@H](O)C[NH3+])CC[NH2+]CC2 ZINC001353948850 891490782 /nfs/dbraw/zinc/49/07/82/891490782.db2.gz MXVVPJKCFMRAHO-GHMZBOCLSA-N 2 0 255.362 -0.313 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)NCCC[NH2+]C2CC2)C1=O ZINC001354131663 891521087 /nfs/dbraw/zinc/52/10/87/891521087.db2.gz MEKJJOYIAMJVCZ-LBPRGKRZSA-N 2 0 282.388 -0.558 20 0 CBADRP CS(=O)(=O)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC001354238543 891545700 /nfs/dbraw/zinc/54/57/00/891545700.db2.gz XGDWYKJHRHPZDQ-AXFHLTTASA-N 2 0 264.391 -0.501 20 0 CBADRP [NH3+]C[C@H](O)CNC(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 ZINC001354297350 891556058 /nfs/dbraw/zinc/55/60/58/891556058.db2.gz LFZZRPCUUZNPCI-WRWGMCAJSA-N 2 0 255.362 -0.410 20 0 CBADRP [NH3+]C[C@H](O)CNC(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 ZINC001354297349 891556318 /nfs/dbraw/zinc/55/63/18/891556318.db2.gz LFZZRPCUUZNPCI-NOOOWODRSA-N 2 0 255.362 -0.410 20 0 CBADRP [NH3+]C[C@H](O)CNC(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12 ZINC001354297234 891557665 /nfs/dbraw/zinc/55/76/65/891557665.db2.gz LFZZRPCUUZNPCI-NNYUYHANSA-N 2 0 255.362 -0.410 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001354331231 891565407 /nfs/dbraw/zinc/56/54/07/891565407.db2.gz WLCOTPADKUZRGY-JOYOIKCWSA-N 2 0 254.334 -0.391 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001354331232 891566261 /nfs/dbraw/zinc/56/62/61/891566261.db2.gz WLCOTPADKUZRGY-SKDRFNHKSA-N 2 0 254.334 -0.391 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC001354409160 891577803 /nfs/dbraw/zinc/57/78/03/891577803.db2.gz CGDGIHIBMFRJHI-RYUDHWBXSA-N 2 0 255.362 -0.036 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001354408955 891577927 /nfs/dbraw/zinc/57/79/27/891577927.db2.gz CGDGIHIBMFRJHI-NEPJUHHUSA-N 2 0 255.362 -0.036 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001354423201 891578181 /nfs/dbraw/zinc/57/81/81/891578181.db2.gz BOXUEEPANBLYPZ-NSHDSACASA-N 2 0 271.361 -0.811 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001354451373 891580268 /nfs/dbraw/zinc/58/02/68/891580268.db2.gz XHDPXHAIRYHGFC-WGBDABJCSA-N 2 0 253.346 -0.521 20 0 CBADRP O=C(N1CCC[C@H]([NH2+]CCO)C1)C12CC(C1)C[NH2+]2 ZINC001354435064 891580602 /nfs/dbraw/zinc/58/06/02/891580602.db2.gz AWOMVJILWBLKFU-AKJDGMEZSA-N 2 0 253.346 -0.689 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001354524325 891589652 /nfs/dbraw/zinc/58/96/52/891589652.db2.gz VMEZXYCAXIGHTI-JHJVBQTASA-N 2 0 266.389 -0.557 20 0 CBADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001354501149 891590655 /nfs/dbraw/zinc/59/06/55/891590655.db2.gz YYOPGPYEKVBGLX-TVQRCGJNSA-N 2 0 268.361 -0.255 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC001354535146 891593904 /nfs/dbraw/zinc/59/39/04/891593904.db2.gz DIASKEOUGBHILW-CMPLNLGQSA-N 2 0 263.341 -0.140 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC001354535147 891594027 /nfs/dbraw/zinc/59/40/27/891594027.db2.gz DIASKEOUGBHILW-JQWIXIFHSA-N 2 0 263.341 -0.140 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001354582933 891596863 /nfs/dbraw/zinc/59/68/63/891596863.db2.gz YSECVXYGUZNEMT-MRBYEJRBSA-N 2 0 255.362 -0.396 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC001354684019 891606951 /nfs/dbraw/zinc/60/69/51/891606951.db2.gz TUVNDKCIGHIJEB-MNOVXSKESA-N 2 0 280.376 -0.398 20 0 CBADRP C[C@H](C[NH3+])C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001354698305 891609831 /nfs/dbraw/zinc/60/98/31/891609831.db2.gz XSQVZEYWEJWHNZ-GHMZBOCLSA-N 2 0 255.362 -0.144 20 0 CBADRP C[NH2+]CCN(C(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C)C(C)C ZINC001354865971 891622930 /nfs/dbraw/zinc/62/29/30/891622930.db2.gz VATJIOMTURJANZ-CHWSQXEVSA-N 2 0 268.405 -0.169 20 0 CBADRP CC[C@@H](CN1CCOCC1)NC(=O)COCC[NH3+] ZINC001354853535 891625050 /nfs/dbraw/zinc/62/50/50/891625050.db2.gz DKNYVNSHQMPSOM-NSHDSACASA-N 2 0 259.350 -0.811 20 0 CBADRP CC[C@H](C(=O)N(C)C1CC([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001449399402 913576841 /nfs/dbraw/zinc/57/68/41/913576841.db2.gz GWWCBDMSLUXHTI-VQXHTEKXSA-N 2 0 270.377 -0.609 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC001354894267 891627383 /nfs/dbraw/zinc/62/73/83/891627383.db2.gz UAHXJSZVAXXFBM-NNYUYHANSA-N 2 0 255.362 -0.038 20 0 CBADRP CCO[C@H](CNC(=O)C[C@H](C[NH3+])OC)C[NH+](C)C ZINC001354943709 891631035 /nfs/dbraw/zinc/63/10/35/891631035.db2.gz MRWIJGQHBZDIPI-GHMZBOCLSA-N 2 0 261.366 -0.567 20 0 CBADRP O=C(CC[C@H]1CCC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC001355014718 891637154 /nfs/dbraw/zinc/63/71/54/891637154.db2.gz AFBVZHJMNJZGHB-CYBMUJFWSA-N 2 0 268.405 -0.212 20 0 CBADRP [NH3+]Cc1ccc(C(=O)N2CCNCC[NH2+]CC2)o1 ZINC001355027713 891637881 /nfs/dbraw/zinc/63/78/81/891637881.db2.gz IEFJQBOYRGODTO-UHFFFAOYSA-N 2 0 252.318 -0.627 20 0 CBADRP C[NH2+][C@@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)c1cnn(C)c1 ZINC001355086718 891644328 /nfs/dbraw/zinc/64/43/28/891644328.db2.gz SNOKBYIPBCEIOY-CKYFFXLPSA-N 2 0 265.361 -0.266 20 0 CBADRP CN(C(=O)C[C@@H]1CC[NH2+]C1)C1(C[NH3+])CCOCC1 ZINC001355337817 891667975 /nfs/dbraw/zinc/66/79/75/891667975.db2.gz AFUNAVQRIMVOOA-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001355497370 891685356 /nfs/dbraw/zinc/68/53/56/891685356.db2.gz GVBHLPVYXPHVLV-IRCOFANPSA-N 2 0 253.346 -0.236 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC001355559440 891690428 /nfs/dbraw/zinc/69/04/28/891690428.db2.gz PJCSGXBWYYAKDE-DYEKYZERSA-N 2 0 267.373 -0.177 20 0 CBADRP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C[C@@H]1C[NH2+]CCO1 ZINC001355598856 891696219 /nfs/dbraw/zinc/69/62/19/891696219.db2.gz IVZAGUFKMVLBNX-NQBHXWOUSA-N 2 0 253.346 -0.295 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N=c1nc(C2CC[NH2+]CC2)[nH]n1C ZINC001355905264 891713112 /nfs/dbraw/zinc/71/31/12/891713112.db2.gz YAKAOZVPUAYAST-MRVPVSSYSA-N 2 0 266.349 -0.620 20 0 CBADRP O=C([C@H]1CCC[NH2+]1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001355915415 891717233 /nfs/dbraw/zinc/71/72/33/891717233.db2.gz DJYVXVLZKONYPA-GFCCVEGCSA-N 2 0 253.346 -0.282 20 0 CBADRP CN(CCNS(C)(=O)=O)C[C@@]1(C)CCC[NH2+]C1 ZINC001356083399 891725374 /nfs/dbraw/zinc/72/53/74/891725374.db2.gz OLOKARRBZZPMDN-NSHDSACASA-N 2 0 263.407 -0.143 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001356092372 891726448 /nfs/dbraw/zinc/72/64/48/891726448.db2.gz RXGLQQHONQQVIN-YNEHKIRRSA-N 2 0 296.415 -0.408 20 0 CBADRP C[C@@H](NC(=O)C(C)(C)C[NH3+])[C@H]1C[N@H+](C)CCN1C ZINC001356253699 891744672 /nfs/dbraw/zinc/74/46/72/891744672.db2.gz ORWWZLZUXORCBM-GHMZBOCLSA-N 2 0 256.394 -0.278 20 0 CBADRP CN(C(=O)[C@H]1[NH2+]CC12CCOCC2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001356369575 891751223 /nfs/dbraw/zinc/75/12/23/891751223.db2.gz KFTNQHZMWKYNNT-NOOOWODRSA-N 2 0 265.357 -0.569 20 0 CBADRP C[NH2+]C[C@H]1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001356499467 891774613 /nfs/dbraw/zinc/77/46/13/891774613.db2.gz RAYCLEZNRRFSNC-YPMHNXCESA-N 2 0 255.362 -0.441 20 0 CBADRP C[C@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)CC[C@H]1[NH3+] ZINC001356626573 891782587 /nfs/dbraw/zinc/78/25/87/891782587.db2.gz DMTRZSUFNXIGKY-WCQYABFASA-N 2 0 269.389 -0.114 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2ccon2)CC1 ZINC001356598021 891783147 /nfs/dbraw/zinc/78/31/47/891783147.db2.gz XHUPHBZFIJGBOZ-CYBMUJFWSA-N 2 0 268.361 -0.585 20 0 CBADRP CC(C)[C@H](CN(C)C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001357243688 891866393 /nfs/dbraw/zinc/86/63/93/891866393.db2.gz VGKIKCZRYNKFOR-GJZGRUSLSA-N 2 0 286.464 -0.230 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC001357361535 891872585 /nfs/dbraw/zinc/87/25/85/891872585.db2.gz JOXUAAHSTNFZMF-ZDUSSCGKSA-N 2 0 284.404 -0.881 20 0 CBADRP [NH3+][C@H](CO)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC001357365567 891874530 /nfs/dbraw/zinc/87/45/30/891874530.db2.gz AJLRSVKNQXFWMI-NWDGAFQWSA-N 2 0 255.362 -0.217 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH3+])CC(O)C1)[N@H+](C)C1CC1 ZINC001357391914 891883300 /nfs/dbraw/zinc/88/33/00/891883300.db2.gz OFHKKJLWJAYKOE-CBZQXFMTSA-N 2 0 255.362 -0.315 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[N@@H+]1C ZINC001357405577 891887440 /nfs/dbraw/zinc/88/74/40/891887440.db2.gz TXHODYTZFXBJAO-FRRDWIJNSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)CNCC[NH3+])C1 ZINC001357427935 891890649 /nfs/dbraw/zinc/89/06/49/891890649.db2.gz HUGVECFUQXYJKJ-CYBMUJFWSA-N 2 0 268.405 -0.275 20 0 CBADRP CC[NH2+]CCCNC(=O)N1CC[NH2+]C[C@H]1COC ZINC001357436170 891894159 /nfs/dbraw/zinc/89/41/59/891894159.db2.gz RTZSXFRQILFDHF-NSHDSACASA-N 2 0 258.366 -0.384 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)[C@@H](C)C[NH2+]1 ZINC001357443558 891895434 /nfs/dbraw/zinc/89/54/34/891895434.db2.gz CFAPPECGUXZPSO-GRYCIOLGSA-N 2 0 282.388 -0.608 20 0 CBADRP O=C(N1C[C@H]2C[NH2+]C[C@H]2C1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001357463141 891897063 /nfs/dbraw/zinc/89/70/63/891897063.db2.gz KBHNTZFJGBBXRN-CZXHOFHRSA-N 2 0 265.357 -0.710 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001357472117 891900624 /nfs/dbraw/zinc/90/06/24/891900624.db2.gz LWWZEPVVEZDIKO-RYUDHWBXSA-N 2 0 255.362 -0.456 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001357486867 891904271 /nfs/dbraw/zinc/90/42/71/891904271.db2.gz OIKABPIUIBOGSB-FZMZJTMJSA-N 2 0 269.389 -0.005 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001357485456 891904741 /nfs/dbraw/zinc/90/47/41/891904741.db2.gz IVEALIOMHPXDHY-IJLUTSLNSA-N 2 0 255.362 -0.273 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC001357474910 891905241 /nfs/dbraw/zinc/90/52/41/891905241.db2.gz SDFHRLUKHSYDLZ-NEPJUHHUSA-N 2 0 254.378 -0.462 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001357559762 891913613 /nfs/dbraw/zinc/91/36/13/891913613.db2.gz HBAHQVQEDQMIHI-WYUUTHIRSA-N 2 0 252.362 -0.012 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCN1CCC([NH3+])CC1 ZINC001357583509 891916638 /nfs/dbraw/zinc/91/66/38/891916638.db2.gz VIQPNYZQIMBPBJ-ZYHUDNBSSA-N 2 0 269.393 -0.459 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C[C@H]1C[NH3+] ZINC001357620291 891920092 /nfs/dbraw/zinc/92/00/92/891920092.db2.gz UTQSCJSKWPIAQE-UPJWGTAASA-N 2 0 296.415 -0.373 20 0 CBADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001357619648 891921125 /nfs/dbraw/zinc/92/11/25/891921125.db2.gz OOYQGLXWAUDKCK-MFKMUULPSA-N 2 0 257.378 -0.019 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC001357967079 891951035 /nfs/dbraw/zinc/95/10/35/891951035.db2.gz PHSNYSZGWBWOCV-QWRGUYRKSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@]1(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)C[C@@H](O)C[NH2+]1 ZINC001357662012 891926390 /nfs/dbraw/zinc/92/63/90/891926390.db2.gz YFRCDYKRNFWDMO-DMDPSCGWSA-N 2 0 267.373 -0.110 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001357686845 891930020 /nfs/dbraw/zinc/93/00/20/891930020.db2.gz AWVFGVSPFLIPSG-LLVKDONJSA-N 2 0 272.393 -0.138 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001357856598 891939381 /nfs/dbraw/zinc/93/93/81/891939381.db2.gz QUYIEFHYIZJFFK-FDWMKNOZSA-N 2 0 265.357 -0.438 20 0 CBADRP [NH3+]CCCSCCC(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001357845756 891940945 /nfs/dbraw/zinc/94/09/45/891940945.db2.gz IACNNRKLPVPUAS-SNVBAGLBSA-N 2 0 273.402 -0.294 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C1=O ZINC001357908932 891944114 /nfs/dbraw/zinc/94/41/14/891944114.db2.gz AOZFNSOHIFWWJE-HUBLWGQQSA-N 2 0 294.399 -0.477 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)C[NH+]1CCC(CO)CC1 ZINC001357921168 891948057 /nfs/dbraw/zinc/94/80/57/891948057.db2.gz BUSYHMWAFPIZDH-UHFFFAOYSA-N 2 0 287.404 -0.615 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)C1(C2CC[NH2+]CC2)CC1 ZINC001357939114 891948507 /nfs/dbraw/zinc/94/85/07/891948507.db2.gz RGEHGLASYFDNHB-GFCCVEGCSA-N 2 0 267.373 -0.129 20 0 CBADRP [NH3+]C1(CNC(=O)C23CCC(CC2)[NH2+]3)CCOCC1 ZINC001357925499 891948546 /nfs/dbraw/zinc/94/85/46/891948546.db2.gz QURQDYUVUPBLCU-UHFFFAOYSA-N 2 0 253.346 -0.105 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC001357967080 891950474 /nfs/dbraw/zinc/95/04/74/891950474.db2.gz PHSNYSZGWBWOCV-WDEREUQCSA-N 2 0 257.378 -0.197 20 0 CBADRP [NH3+][C@H]1CCCn2nc(C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc21 ZINC001357969743 891952784 /nfs/dbraw/zinc/95/27/84/891952784.db2.gz OBIFRJMJUVNXID-GUBZILKMSA-N 2 0 261.329 -0.137 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001358000409 891956693 /nfs/dbraw/zinc/95/66/93/891956693.db2.gz LUPSXBRDYKWEIM-OUCADQQQSA-N 2 0 267.373 -0.156 20 0 CBADRP COCC[NH2+]CC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001358082675 891967135 /nfs/dbraw/zinc/96/71/35/891967135.db2.gz VTEWQHGLOBZHJJ-LBPRGKRZSA-N 2 0 285.388 -0.503 20 0 CBADRP CC1(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C[NH2+]C1 ZINC001358078927 891968064 /nfs/dbraw/zinc/96/80/64/891968064.db2.gz CMWYEMJZJVISLZ-NSHDSACASA-N 2 0 267.373 -0.129 20 0 CBADRP CC1(C)CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C[C@H]1[NH3+] ZINC001358131284 891974772 /nfs/dbraw/zinc/97/47/72/891974772.db2.gz PMXXEHLYEZVPDM-WDEREUQCSA-N 2 0 282.388 -0.621 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC[C@H]([NH3+])C1 ZINC001358129837 891975085 /nfs/dbraw/zinc/97/50/85/891975085.db2.gz FTVKEDYBMCTYML-SRVKXCTJSA-N 2 0 252.362 -0.676 20 0 CBADRP CCO[C@H](CNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21)C[NH+](C)C ZINC001358201877 891978914 /nfs/dbraw/zinc/97/89/14/891978914.db2.gz FBAQTSNGUUMXAA-WHOHXGKFSA-N 2 0 255.362 -0.323 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC001358187267 891979780 /nfs/dbraw/zinc/97/97/80/891979780.db2.gz VXBNCOSVLIAKCP-UTUOFQBUSA-N 2 0 255.362 -0.036 20 0 CBADRP [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)C1([NH3+])CC1)CC2 ZINC001358224516 891982394 /nfs/dbraw/zinc/98/23/94/891982394.db2.gz RBBVIECBAGQDGJ-SNVBAGLBSA-N 2 0 253.346 -0.166 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001358237199 891982994 /nfs/dbraw/zinc/98/29/94/891982994.db2.gz BWICEILPHNXSQD-LFUNGLGSSA-N 2 0 267.373 -0.290 20 0 CBADRP [NH3+]C1(C(=O)N2CCC[C@]([NH3+])(CO)C2)CCCCC1 ZINC001358250362 891987117 /nfs/dbraw/zinc/98/71/17/891987117.db2.gz PGKWHUKOSDTCMN-GFCCVEGCSA-N 2 0 255.362 -0.040 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)CC2CC[NH2+]CC2)C1 ZINC001358249083 891987262 /nfs/dbraw/zinc/98/72/62/891987262.db2.gz BGUDLNOJXNOTGM-ZDUSSCGKSA-N 2 0 255.362 -0.312 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC001358252071 891987855 /nfs/dbraw/zinc/98/78/55/891987855.db2.gz UBZWPMVASCWXHS-VXGBXAGGSA-N 2 0 255.362 -0.048 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC001358322247 891992880 /nfs/dbraw/zinc/99/28/80/891992880.db2.gz DEYYBVGGCLFPNE-XZUYRWCXSA-N 2 0 255.362 -0.003 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC001358504968 892014227 /nfs/dbraw/zinc/01/42/27/892014227.db2.gz BLKAQIANCRBSEJ-WZRBSPASSA-N 2 0 252.362 -0.770 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC001358504964 892014637 /nfs/dbraw/zinc/01/46/37/892014637.db2.gz BLKAQIANCRBSEJ-DMDPSCGWSA-N 2 0 252.362 -0.770 20 0 CBADRP CCN1CC[C@@H]1C(=O)NC1CCN(CC(=O)NC)CC1 ZINC001361629265 892173025 /nfs/dbraw/zinc/17/30/25/892173025.db2.gz SNHBJCZXDIJTQR-GFCCVEGCSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001362270129 892554219 /nfs/dbraw/zinc/55/42/19/892554219.db2.gz NZIWCVWHIYEYPX-YRGRVCCFSA-N 2 0 287.404 -0.740 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001362282772 892565438 /nfs/dbraw/zinc/56/54/38/892565438.db2.gz GIXZZAGOTUGLCY-QWHCGFSZSA-N 2 0 286.395 -0.218 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001450353339 913683767 /nfs/dbraw/zinc/68/37/67/913683767.db2.gz UCQKHLNDCOQDBS-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP CCN1CC[C@@H]1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC001450605677 913719218 /nfs/dbraw/zinc/71/92/18/913719218.db2.gz RDCDDJCLRZBVNC-NWDGAFQWSA-N 2 0 255.362 -0.347 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)C[C@H](C)[NH2+]1 ZINC001363024415 893276602 /nfs/dbraw/zinc/27/66/02/893276602.db2.gz PROFPCRPAGOYIU-FQUUOJAGSA-N 2 0 280.416 -0.026 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001363113934 893368681 /nfs/dbraw/zinc/36/86/81/893368681.db2.gz SXNFYFIHOKEMOK-OLZOCXBDSA-N 2 0 298.431 -0.160 20 0 CBADRP C[C@@H](CC[NH+](C)C)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001363200708 893450819 /nfs/dbraw/zinc/45/08/19/893450819.db2.gz ACLKCZFLJROOOJ-ZDUSSCGKSA-N 2 0 298.431 -0.193 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C[NH+](C)C ZINC001363515152 893754837 /nfs/dbraw/zinc/75/48/37/893754837.db2.gz ZSGOWEGRFKAKNC-VXGBXAGGSA-N 2 0 299.419 -0.757 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)C1 ZINC001363677682 893908237 /nfs/dbraw/zinc/90/82/37/893908237.db2.gz OVVLLEMGGSGNCJ-OCCSQVGLSA-N 2 0 287.379 -0.055 20 0 CBADRP C[NH+](C)C[C@]1(O)CCN(C(=O)CC[N@@H+]2CC[C@H](F)C2)C1 ZINC001363677676 893909292 /nfs/dbraw/zinc/90/92/92/893909292.db2.gz OVVLLEMGGSGNCJ-GXTWGEPZSA-N 2 0 287.379 -0.055 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CNC(=O)C3)CC2)C1 ZINC001363789379 893994828 /nfs/dbraw/zinc/99/48/28/893994828.db2.gz DBIYYHTWXMWISA-KBPBESRZSA-N 2 0 280.416 -0.166 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001363839528 894046616 /nfs/dbraw/zinc/04/66/16/894046616.db2.gz GVUBGNOPOHQWLF-DOMZBBRYSA-N 2 0 297.399 -0.109 20 0 CBADRP CCc1nccn1CCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001364060853 894169902 /nfs/dbraw/zinc/16/99/02/894169902.db2.gz TYYWBKJHWAEMAL-QWHCGFSZSA-N 2 0 291.399 -0.050 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC001365811592 895126617 /nfs/dbraw/zinc/12/66/17/895126617.db2.gz ITPHIHPJOXGWTJ-UTUOFQBUSA-N 2 0 296.415 -0.171 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001365835929 895130565 /nfs/dbraw/zinc/13/05/65/895130565.db2.gz CIBDJKWTOJHQAR-IJLUTSLNSA-N 2 0 282.388 -0.689 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCn2cncn2)C1 ZINC001365992339 895167129 /nfs/dbraw/zinc/16/71/29/895167129.db2.gz GGGYWGAVXCJXMM-CYBMUJFWSA-N 2 0 294.403 -0.190 20 0 CBADRP C[C@@H]([NH2+][C@H](CNC(=O)Cc1ncc[nH]1)C1CC1)C(N)=O ZINC001366065907 895182633 /nfs/dbraw/zinc/18/26/33/895182633.db2.gz WUDMWGYUVJGINK-PSASIEDQSA-N 2 0 279.344 -0.690 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001366097349 895188587 /nfs/dbraw/zinc/18/85/87/895188587.db2.gz GVMMOZGLSAARPR-MELADBBJSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001366104465 895190373 /nfs/dbraw/zinc/19/03/73/895190373.db2.gz KBAPQUQVEHKIGT-MELADBBJSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001366098282 895192024 /nfs/dbraw/zinc/19/20/24/895192024.db2.gz NSRVXMONBVXOBA-LBPRGKRZSA-N 2 0 297.403 -0.846 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001366116025 895197632 /nfs/dbraw/zinc/19/76/32/895197632.db2.gz VHBWGWQCBVCPMR-XYPYZODXSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001366133479 895200379 /nfs/dbraw/zinc/20/03/79/895200379.db2.gz CAISJCASCPUJDK-HAQNSBGRSA-N 2 0 294.403 -0.106 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001366128594 895200912 /nfs/dbraw/zinc/20/09/12/895200912.db2.gz BDBZITWUONXDDC-HAQNSBGRSA-N 2 0 294.403 -0.108 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(N)=O ZINC001366142897 895204285 /nfs/dbraw/zinc/20/42/85/895204285.db2.gz IFMYTUWLSCGZJG-YHWZYXNKSA-N 2 0 296.415 -0.077 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001366148494 895207626 /nfs/dbraw/zinc/20/76/26/895207626.db2.gz USFUOLQJCQNJCV-GRYCIOLGSA-N 2 0 275.368 -0.105 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)C(=O)N(C)C ZINC001366156003 895207846 /nfs/dbraw/zinc/20/78/46/895207846.db2.gz QZHBFAAIMDNIOB-WUHRBBMRSA-N 2 0 296.415 -0.206 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001366165333 895212784 /nfs/dbraw/zinc/21/27/84/895212784.db2.gz NSQPVGBBYIEMFO-RWMBFGLXSA-N 2 0 296.415 -0.301 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001366259940 895238925 /nfs/dbraw/zinc/23/89/25/895238925.db2.gz BHOGALJMQLDUFB-VXGBXAGGSA-N 2 0 284.404 -0.301 20 0 CBADRP CC[C@@H]([NH2+][C@H](C)CNC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001366281499 895257770 /nfs/dbraw/zinc/25/77/70/895257770.db2.gz AWLROGLCHABJNL-ZYHUDNBSSA-N 2 0 284.404 -0.171 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001366288251 895261553 /nfs/dbraw/zinc/26/15/53/895261553.db2.gz PMZKJFNHSGUSDR-RYUDHWBXSA-N 2 0 287.404 -0.428 20 0 CBADRP CC[C@H]([NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001366308616 895266307 /nfs/dbraw/zinc/26/63/07/895266307.db2.gz ZXUJEVMBENSAEY-NEPJUHHUSA-N 2 0 296.415 -0.027 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(N)=O)C1 ZINC001366320341 895275900 /nfs/dbraw/zinc/27/59/00/895275900.db2.gz ODLPPXCXBHHJSX-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001366334126 895280560 /nfs/dbraw/zinc/28/05/60/895280560.db2.gz LMZNPQONFNGCJB-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N(C)C ZINC001366356924 895288515 /nfs/dbraw/zinc/28/85/15/895288515.db2.gz JXPYULBBTPQSDC-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001366347407 895288707 /nfs/dbraw/zinc/28/87/07/895288707.db2.gz QMEFAJFOMRGLCB-RYUDHWBXSA-N 2 0 294.403 -0.249 20 0 CBADRP CCN(CC)C(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001366358125 895290074 /nfs/dbraw/zinc/29/00/74/895290074.db2.gz NDMVLYQSBKAZDL-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001366346524 895290555 /nfs/dbraw/zinc/29/05/55/895290555.db2.gz ULMVYQDYDRCSDH-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001366364348 895294319 /nfs/dbraw/zinc/29/43/19/895294319.db2.gz NXRWKRFNVGGVBS-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+]CC(N)=O ZINC001366364064 895296047 /nfs/dbraw/zinc/29/60/47/895296047.db2.gz JPKCPIUQWHIVAG-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001366384104 895305473 /nfs/dbraw/zinc/30/54/73/895305473.db2.gz DTUVBTCDARUOSQ-RYUDHWBXSA-N 2 0 275.368 -0.151 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001366392214 895307484 /nfs/dbraw/zinc/30/74/84/895307484.db2.gz XNQYRHKVJBTUNO-QWHCGFSZSA-N 2 0 296.415 -0.252 20 0 CBADRP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001366401282 895314016 /nfs/dbraw/zinc/31/40/16/895314016.db2.gz LMCCWGGXAYDMMM-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001366411980 895315819 /nfs/dbraw/zinc/31/58/19/895315819.db2.gz SCFJKZSFNCFXIP-LLVKDONJSA-N 2 0 270.377 -0.748 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001366452767 895325794 /nfs/dbraw/zinc/32/57/94/895325794.db2.gz NNCKXXHOUXJCKL-DGCLKSJQSA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@H](CCNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(N)=O ZINC001366482106 895330453 /nfs/dbraw/zinc/33/04/53/895330453.db2.gz DFOAQUCWYUESAH-SNVBAGLBSA-N 2 0 270.377 -0.702 20 0 CBADRP CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001366486772 895332670 /nfs/dbraw/zinc/33/26/70/895332670.db2.gz OVVLRENETDHFTL-MNOVXSKESA-N 2 0 297.407 -0.465 20 0 CBADRP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H]1CCNC1=O ZINC001366501312 895336623 /nfs/dbraw/zinc/33/66/23/895336623.db2.gz VWIXKOIXMSBYLQ-NEPJUHHUSA-N 2 0 294.399 -0.545 20 0 CBADRP CN(CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CC(N)=O ZINC001366535924 895363918 /nfs/dbraw/zinc/36/39/18/895363918.db2.gz IBRMRLUYROWXPM-CYBMUJFWSA-N 2 0 296.415 -0.073 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001366653802 895422360 /nfs/dbraw/zinc/42/23/60/895422360.db2.gz BLZBYWZDZWEOAS-BFHYXJOUSA-N 2 0 299.415 -0.332 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001366653806 895422549 /nfs/dbraw/zinc/42/25/49/895422549.db2.gz BLZBYWZDZWEOAS-MGPQQGTHSA-N 2 0 299.415 -0.332 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001366688247 895431270 /nfs/dbraw/zinc/43/12/70/895431270.db2.gz IXFVGSUDUWHVQP-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)C(=O)N(C)C ZINC001366782153 895460300 /nfs/dbraw/zinc/46/03/00/895460300.db2.gz ZOKUXUMEAZTWRZ-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H]1CCCN(C)C1=O ZINC001366776206 895460494 /nfs/dbraw/zinc/46/04/94/895460494.db2.gz RSQGVLXKCPVYHY-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001366777687 895460558 /nfs/dbraw/zinc/46/05/58/895460558.db2.gz RYSPXSWHLWFADA-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001366851955 895469404 /nfs/dbraw/zinc/46/94/04/895469404.db2.gz IUXLUPCPAKZYFD-CYBMUJFWSA-N 2 0 296.415 -0.344 20 0 CBADRP CNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001366876021 895477549 /nfs/dbraw/zinc/47/75/49/895477549.db2.gz XFAMDXYWGAHOLU-CYBMUJFWSA-N 2 0 298.431 -0.147 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCn2cncn2)C1 ZINC001367037383 895543429 /nfs/dbraw/zinc/54/34/29/895543429.db2.gz DTAQAUKWEVAVBM-CYBMUJFWSA-N 2 0 294.403 -0.191 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001367034358 895543592 /nfs/dbraw/zinc/54/35/92/895543592.db2.gz AAJHKJZVKCYBKU-UPJWGTAASA-N 2 0 285.388 -0.864 20 0 CBADRP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(N)=O ZINC001367128808 895570090 /nfs/dbraw/zinc/57/00/90/895570090.db2.gz RTXDFRZHGYOVAW-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001367140989 895574874 /nfs/dbraw/zinc/57/48/74/895574874.db2.gz OMORALKWSHWAAI-RYUDHWBXSA-N 2 0 294.403 -0.249 20 0 CBADRP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H]1CCNC1=O ZINC001367138731 895575904 /nfs/dbraw/zinc/57/59/04/895575904.db2.gz MHKXYPOTXLLQNS-VXGBXAGGSA-N 2 0 294.399 -0.545 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001367203419 895583228 /nfs/dbraw/zinc/58/32/28/895583228.db2.gz RBUCDHDECGORJH-HAQNSBGRSA-N 2 0 284.404 -0.170 20 0 CBADRP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001367221268 895584920 /nfs/dbraw/zinc/58/49/20/895584920.db2.gz POEXRXJSGSCQGN-GFCCVEGCSA-N 2 0 282.388 -0.463 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001367228284 895585274 /nfs/dbraw/zinc/58/52/74/895585274.db2.gz YUVWVORENOYUIJ-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1nnnn1C ZINC001367231400 895589469 /nfs/dbraw/zinc/58/94/69/895589469.db2.gz DYGZOFVUWRTPPJ-WDEREUQCSA-N 2 0 295.391 -0.854 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1nnnn1C ZINC001367231397 895590150 /nfs/dbraw/zinc/59/01/50/895590150.db2.gz DYGZOFVUWRTPPJ-QWRGUYRKSA-N 2 0 295.391 -0.854 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001367243639 895593088 /nfs/dbraw/zinc/59/30/88/895593088.db2.gz RAMGYLZLKCISDF-AAEUAGOBSA-N 2 0 296.415 -0.584 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001367243656 895593451 /nfs/dbraw/zinc/59/34/51/895593451.db2.gz RAMGYLZLKCISDF-DGCLKSJQSA-N 2 0 296.415 -0.584 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001367243659 895593599 /nfs/dbraw/zinc/59/35/99/895593599.db2.gz RAMGYLZLKCISDF-WCQYABFASA-N 2 0 296.415 -0.584 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367290012 895604287 /nfs/dbraw/zinc/60/42/87/895604287.db2.gz NQNGRDLYEHNAOQ-QWHCGFSZSA-N 2 0 298.431 -0.194 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+][C@@H](C)C(N)=O ZINC001367294426 895609240 /nfs/dbraw/zinc/60/92/40/895609240.db2.gz RTXPQCHSWCYVDN-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+][C@@H](C)C(N)=O ZINC001367294422 895610037 /nfs/dbraw/zinc/61/00/37/895610037.db2.gz RTXPQCHSWCYVDN-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001367491582 895644638 /nfs/dbraw/zinc/64/46/38/895644638.db2.gz WBEGQKUAUOIEOE-VXGBXAGGSA-N 2 0 284.404 -0.443 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001367491575 895644765 /nfs/dbraw/zinc/64/47/65/895644765.db2.gz WBEGQKUAUOIEOE-NWDGAFQWSA-N 2 0 284.404 -0.443 20 0 CBADRP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)nn1C ZINC001367598010 895690264 /nfs/dbraw/zinc/69/02/64/895690264.db2.gz ARNAICYOCUITLR-ZDUSSCGKSA-N 2 0 297.403 -0.753 20 0 CBADRP C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367606782 895697558 /nfs/dbraw/zinc/69/75/58/895697558.db2.gz OOIVBSBXIJEOBO-NWDGAFQWSA-N 2 0 287.404 -0.692 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnoc1C)[NH+](C)C ZINC001367622376 895711411 /nfs/dbraw/zinc/71/14/11/895711411.db2.gz MSJYWUYVMZSRNN-OLZOCXBDSA-N 2 0 298.387 -0.110 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001367625277 895712267 /nfs/dbraw/zinc/71/22/67/895712267.db2.gz DPVCBYMYXYZGQC-STQMWFEESA-N 2 0 287.404 -0.570 20 0 CBADRP COC[C@H](C)[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001367627549 895713698 /nfs/dbraw/zinc/71/36/98/895713698.db2.gz VLKXOEGZYUQOBI-RYUDHWBXSA-N 2 0 285.388 -0.816 20 0 CBADRP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001367645044 895721240 /nfs/dbraw/zinc/72/12/40/895721240.db2.gz RPRUPTQWXIPNSW-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCCNC1=O)[NH+](C)C ZINC001367678799 895740648 /nfs/dbraw/zinc/74/06/48/895740648.db2.gz VDFRFIQGODHBJU-AGIUHOORSA-N 2 0 298.431 -0.055 20 0 CBADRP CC[C@@H](C(=O)N(CC)CC[NH2+][C@H](C)C(N)=O)[NH+](C)C ZINC001367686527 895743752 /nfs/dbraw/zinc/74/37/52/895743752.db2.gz GVGXSLHIONZPHK-MNOVXSKESA-N 2 0 272.393 -0.362 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001367696135 895748195 /nfs/dbraw/zinc/74/81/95/895748195.db2.gz NIFVSWCEIDWEGZ-DGCLKSJQSA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367708734 895760280 /nfs/dbraw/zinc/76/02/80/895760280.db2.gz ZRJJURWAAUNCPL-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001367738277 895781784 /nfs/dbraw/zinc/78/17/84/895781784.db2.gz PUDCQYMLEMCIIT-AAEUAGOBSA-N 2 0 296.419 -0.004 20 0 CBADRP Cc1nccn1CC(=O)N[C@@H](C)CNCc1nnnn1C ZINC001367772450 895800069 /nfs/dbraw/zinc/80/00/69/895800069.db2.gz SUMDCVQVEWGONX-VIFPVBQESA-N 2 0 292.347 -0.990 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CN(C)[C@H]1CCNC1=O ZINC001367861359 895839506 /nfs/dbraw/zinc/83/95/06/895839506.db2.gz LJEVGRRTHSVZIU-NEPJUHHUSA-N 2 0 284.404 -0.348 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001367897851 895850459 /nfs/dbraw/zinc/85/04/59/895850459.db2.gz SZNLPAMKKVZPCF-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CC1)C(N)=O ZINC001367915398 895854095 /nfs/dbraw/zinc/85/40/95/895854095.db2.gz ZSUYAXFDHRPCPH-MWLCHTKSSA-N 2 0 270.377 -0.704 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001367959839 895866924 /nfs/dbraw/zinc/86/69/24/895866924.db2.gz BFLPXVXEYHIUDC-VXGBXAGGSA-N 2 0 273.377 -0.864 20 0 CBADRP NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001368000864 895885177 /nfs/dbraw/zinc/88/51/77/895885177.db2.gz AVXZUZUJZANJNW-LLVKDONJSA-N 2 0 280.372 -0.948 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001368020504 895893719 /nfs/dbraw/zinc/89/37/19/895893719.db2.gz ZMBJTAFGMSBIBA-UHFFFAOYSA-N 2 0 282.388 -0.687 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001368036358 895896968 /nfs/dbraw/zinc/89/69/68/895896968.db2.gz QFSQPWSSJRFFKG-MNOVXSKESA-N 2 0 280.372 -0.935 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001368064496 895900308 /nfs/dbraw/zinc/90/03/08/895900308.db2.gz NFFHVBXFUFMKIZ-OAHLLOKOSA-N 2 0 296.415 -0.392 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001368198585 895934864 /nfs/dbraw/zinc/93/48/64/895934864.db2.gz XFTKGUZBTFRDFY-RISCZKNCSA-N 2 0 284.404 -0.360 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCCO)C1 ZINC001368244169 895940004 /nfs/dbraw/zinc/94/00/04/895940004.db2.gz IGIOXEPGUXMPEK-JSGCOSHPSA-N 2 0 285.388 -0.984 20 0 CBADRP CC(C)[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001368253489 895944433 /nfs/dbraw/zinc/94/44/33/895944433.db2.gz RAUSHFQEFUVVEP-GXTWGEPZSA-N 2 0 285.388 -0.722 20 0 CBADRP CC(C)[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001368253501 895945784 /nfs/dbraw/zinc/94/57/84/895945784.db2.gz RAUSHFQEFUVVEP-OCCSQVGLSA-N 2 0 285.388 -0.722 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001368262570 895949713 /nfs/dbraw/zinc/94/97/13/895949713.db2.gz PQKMMOFHHMKUIG-TZMCWYRMSA-N 2 0 285.388 -0.984 20 0 CBADRP O=C(NC[C@]1(O)CC[N@@H+](CCO)C1)C12CCC[NH+]1CCC2 ZINC001368261406 895950283 /nfs/dbraw/zinc/95/02/83/895950283.db2.gz NUBAUQIVCGWTOU-CQSZACIVSA-N 2 0 297.399 -0.840 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001368417863 896003326 /nfs/dbraw/zinc/00/33/26/896003326.db2.gz BDANGRZPPDNRBI-UHFFFAOYSA-N 2 0 296.415 -0.262 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1([NH2+]CCO)CCC1 ZINC001368494833 896023585 /nfs/dbraw/zinc/02/35/85/896023585.db2.gz GYWJNYPSQSHNMQ-ZDUSSCGKSA-N 2 0 299.415 -0.425 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001368535644 896028830 /nfs/dbraw/zinc/02/88/30/896028830.db2.gz NSRGFVBVPWERON-TXEJJXNPSA-N 2 0 284.404 -0.443 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001368579077 896042901 /nfs/dbraw/zinc/04/29/01/896042901.db2.gz IWQOEPNDXXYWFZ-XYPYZODXSA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]CC(N)=O)CC2)C1 ZINC001368656346 896056972 /nfs/dbraw/zinc/05/69/72/896056972.db2.gz OMJOFFDRFPCASV-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)NC)CC[N@@H+]1C ZINC001368718583 896065256 /nfs/dbraw/zinc/06/52/56/896065256.db2.gz ULOCBWFHWYNNGB-RWMBFGLXSA-N 2 0 298.431 -0.053 20 0 CBADRP CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001368818214 896088601 /nfs/dbraw/zinc/08/86/01/896088601.db2.gz XNQNQZCQHVNWTQ-BPCQOVAHSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001368868973 896101573 /nfs/dbraw/zinc/10/15/73/896101573.db2.gz PLNUBANAXKLIIC-VXGBXAGGSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H]([NH2+]CC(=O)N(C)C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001368868918 896101912 /nfs/dbraw/zinc/10/19/12/896101912.db2.gz PLNUBANAXKLIIC-NEPJUHHUSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001368880511 896104612 /nfs/dbraw/zinc/10/46/12/896104612.db2.gz FGXPRKDSHDNGHN-GHMZBOCLSA-N 2 0 284.404 -0.443 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001368880517 896105370 /nfs/dbraw/zinc/10/53/70/896105370.db2.gz FGXPRKDSHDNGHN-WDEREUQCSA-N 2 0 284.404 -0.443 20 0 CBADRP CC[NH+](CC)CC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001452810328 914036197 /nfs/dbraw/zinc/03/61/97/914036197.db2.gz GZJLYMSALMGLMZ-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP COC[C@@H](O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001368988251 896131407 /nfs/dbraw/zinc/13/14/07/896131407.db2.gz QVNQFCKHOYUUJG-FRRDWIJNSA-N 2 0 287.404 -0.476 20 0 CBADRP COC[C@H](O)C[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001369096373 896154037 /nfs/dbraw/zinc/15/40/37/896154037.db2.gz BVABIMJESNJZPA-GXTWGEPZSA-N 2 0 299.415 -0.474 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001369178618 896165540 /nfs/dbraw/zinc/16/55/40/896165540.db2.gz JAXJFQXXIYKKCQ-JHJVBQTASA-N 2 0 296.415 -0.299 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001369179644 896167264 /nfs/dbraw/zinc/16/72/64/896167264.db2.gz MGNUFJDFWLPVSZ-AVGNSLFASA-N 2 0 296.415 -0.441 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001369179648 896167777 /nfs/dbraw/zinc/16/77/77/896167777.db2.gz MGNUFJDFWLPVSZ-JHJVBQTASA-N 2 0 296.415 -0.441 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001369269836 896185420 /nfs/dbraw/zinc/18/54/20/896185420.db2.gz FHUHREUUCDWJAS-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001369283458 896188391 /nfs/dbraw/zinc/18/83/91/896188391.db2.gz AWZVPHUBTQZMFO-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001452819624 914042361 /nfs/dbraw/zinc/04/23/61/914042361.db2.gz ZXYLXGPDIZJFSL-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001369299850 896191262 /nfs/dbraw/zinc/19/12/62/896191262.db2.gz CGZFTDUUBCHLCR-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001369307553 896196125 /nfs/dbraw/zinc/19/61/25/896196125.db2.gz HTVYYJFRSQLLPU-CHWSQXEVSA-N 2 0 298.431 -0.006 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001369312473 896201128 /nfs/dbraw/zinc/20/11/28/896201128.db2.gz ZUXICFUHZNKASH-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001369405366 896261928 /nfs/dbraw/zinc/26/19/28/896261928.db2.gz OLFLXGXWTRWLFQ-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001369423878 896263175 /nfs/dbraw/zinc/26/31/75/896263175.db2.gz PZOICVRTFQLZFM-DGCLKSJQSA-N 2 0 296.415 -0.312 20 0 CBADRP CN(C[C@H](O)C[N@H+](C)CCCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001369516863 896309905 /nfs/dbraw/zinc/30/99/05/896309905.db2.gz TZOLOEOHCFUXGS-CHWSQXEVSA-N 2 0 287.404 -0.928 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001370230158 896413858 /nfs/dbraw/zinc/41/38/58/896413858.db2.gz VBIZRZXYQYGGKK-ZYHUDNBSSA-N 2 0 282.388 -0.702 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001370387519 896422336 /nfs/dbraw/zinc/42/23/36/896422336.db2.gz AATWAOJRXCBCFU-STQMWFEESA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001370390401 896423867 /nfs/dbraw/zinc/42/38/67/896423867.db2.gz MNJYNCGXYIIQPW-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001370665180 896469469 /nfs/dbraw/zinc/46/94/69/896469469.db2.gz MROIYNZHSLNYNA-TXEJJXNPSA-N 2 0 294.403 -0.106 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001370664305 896469512 /nfs/dbraw/zinc/46/95/12/896469512.db2.gz JOTPCWYQCQUBNE-BETUJISGSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001370664405 896470199 /nfs/dbraw/zinc/47/01/99/896470199.db2.gz KAFQJGTWUTXZGD-TXEJJXNPSA-N 2 0 282.388 -0.689 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001370676714 896476246 /nfs/dbraw/zinc/47/62/46/896476246.db2.gz JQIFXXMFYXUROK-QNWHQSFQSA-N 2 0 296.415 -0.301 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC)C1)[NH+](C)C ZINC001370709794 896483679 /nfs/dbraw/zinc/48/36/79/896483679.db2.gz DSOKNHAILLANRG-NNYUYHANSA-N 2 0 284.404 -0.302 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001370716683 896487300 /nfs/dbraw/zinc/48/73/00/896487300.db2.gz YDOHJQZGWTVQRT-BETUJISGSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001370807566 896505633 /nfs/dbraw/zinc/50/56/33/896505633.db2.gz LXIBGFLCPYSIHN-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001370837019 896510958 /nfs/dbraw/zinc/51/09/58/896510958.db2.gz PYDIZKHFUVZTOK-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001371321551 896591911 /nfs/dbraw/zinc/59/19/11/896591911.db2.gz RGASNZSQQNZGPB-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001371346711 896597023 /nfs/dbraw/zinc/59/70/23/896597023.db2.gz MVERXRAJAZAGPU-JTQLQIEISA-N 2 0 270.377 -0.832 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001371533114 896628926 /nfs/dbraw/zinc/62/89/26/896628926.db2.gz QSJPOZZZTNLLAR-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001371612084 896644962 /nfs/dbraw/zinc/64/49/62/896644962.db2.gz FJQWSBNULUWPBR-QWHCGFSZSA-N 2 0 296.415 -0.488 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001371661510 896647057 /nfs/dbraw/zinc/64/70/57/896647057.db2.gz WONUTKZRMHGEQF-VXGBXAGGSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001371661231 896647269 /nfs/dbraw/zinc/64/72/69/896647269.db2.gz UXEAEEFSDSYQLM-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001371736281 896656722 /nfs/dbraw/zinc/65/67/22/896656722.db2.gz UTXRAQQIRGAVBI-YPMHNXCESA-N 2 0 294.403 -0.106 20 0 CBADRP CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]CC(N)=O)[NH+](C)C ZINC001371824954 896666150 /nfs/dbraw/zinc/66/61/50/896666150.db2.gz HSCSXBRMQOOLCH-ZYHUDNBSSA-N 2 0 272.393 -0.458 20 0 CBADRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1nncn1C ZINC001371878040 896673279 /nfs/dbraw/zinc/67/32/79/896673279.db2.gz JCSZAAMPKXGFPZ-GFCCVEGCSA-N 2 0 294.403 -0.105 20 0 CBADRP Cn1cc(CC[N@H+](C)CCNC(=O)CC[NH+](C)C)cn1 ZINC001372146747 896735007 /nfs/dbraw/zinc/73/50/07/896735007.db2.gz AVAGBZZKHALLQB-UHFFFAOYSA-N 2 0 281.404 -0.038 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001372624337 896825784 /nfs/dbraw/zinc/82/57/84/896825784.db2.gz JHCGETCOPGUVIT-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001372673715 896835157 /nfs/dbraw/zinc/83/51/57/896835157.db2.gz RIIXVDIYUNEIHO-ZDUSSCGKSA-N 2 0 296.415 -0.392 20 0 CBADRP COC[C@H](O)C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001372774815 896858783 /nfs/dbraw/zinc/85/87/83/896858783.db2.gz GBXLZFPAXNNBGK-ZIAGYGMSSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001372855917 896891485 /nfs/dbraw/zinc/89/14/85/896891485.db2.gz AXAZGDOWGYDXHL-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C ZINC001372951435 896912106 /nfs/dbraw/zinc/91/21/06/896912106.db2.gz VKNQHNFWTJFWJV-RYUDHWBXSA-N 2 0 284.404 -0.395 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(N)=O ZINC001372946259 896912527 /nfs/dbraw/zinc/91/25/27/896912527.db2.gz MCBAMLRDFIJLAF-MNOVXSKESA-N 2 0 270.377 -0.750 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+][C@@H](CC)C(N)=O)[NH+](C)C ZINC001372966352 896918233 /nfs/dbraw/zinc/91/82/33/896918233.db2.gz GOJJWKDLVLMEBY-WDEREUQCSA-N 2 0 272.393 -0.362 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@H](C[N@H+](C)CC(N)=O)C2)CC1 ZINC001373289589 896966183 /nfs/dbraw/zinc/96/61/83/896966183.db2.gz INTRJHYSDRAKBV-GFCCVEGCSA-N 2 0 296.415 -0.406 20 0 CBADRP C[NH+](C)CCC(=O)NC1C[NH+](C[C@H]2CCNC(=O)CC2)C1 ZINC001373453241 897017248 /nfs/dbraw/zinc/01/72/48/897017248.db2.gz NJRBPLWLPGKGFO-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[NH+](CC)CC(=O)NCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001373459069 897020540 /nfs/dbraw/zinc/02/05/40/897020540.db2.gz OAAKPZMDYGURLH-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001373605458 897070552 /nfs/dbraw/zinc/07/05/52/897070552.db2.gz DMTMZXCVQBURBZ-OLZOCXBDSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H](C)C(N)=O ZINC001373821243 897131068 /nfs/dbraw/zinc/13/10/68/897131068.db2.gz MSBXOLOENRRBPS-GHMZBOCLSA-N 2 0 282.388 -0.560 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001373896721 897133954 /nfs/dbraw/zinc/13/39/54/897133954.db2.gz JOCYMSYIBLYSEV-ABAIWWIYSA-N 2 0 296.415 -0.312 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001373896732 897135502 /nfs/dbraw/zinc/13/55/02/897135502.db2.gz JOCYMSYIBLYSEV-IAQYHMDHSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001374068835 897165719 /nfs/dbraw/zinc/16/57/19/897165719.db2.gz FHVVJILSQVQOGQ-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC)[NH+](C)C ZINC001374099054 897171424 /nfs/dbraw/zinc/17/14/24/897171424.db2.gz QBHVUMRKTOQMIE-WDEREUQCSA-N 2 0 272.393 -0.586 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001374271410 897202743 /nfs/dbraw/zinc/20/27/43/897202743.db2.gz NBWRIZAGAHNSJW-RWMBFGLXSA-N 2 0 287.404 -0.476 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)CC[NH+](C)C ZINC001374277060 897203636 /nfs/dbraw/zinc/20/36/36/897203636.db2.gz NLQSMRTYRBKQKC-LLVKDONJSA-N 2 0 272.393 -0.537 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001374326842 897212775 /nfs/dbraw/zinc/21/27/75/897212775.db2.gz OUYTUZHBDWEUHS-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCCNC1=O)N(C)C(=O)C[NH+]1CCCC1 ZINC001374323385 897213991 /nfs/dbraw/zinc/21/39/91/897213991.db2.gz BOSJHWCVBWLYCM-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H]1CCCNC1=O ZINC001374431336 897224215 /nfs/dbraw/zinc/22/42/15/897224215.db2.gz KWPFFYLHRZMNDS-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N(C)C ZINC001374445678 897229545 /nfs/dbraw/zinc/22/95/45/897229545.db2.gz HELJSIACPGNLNS-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCNC1=O ZINC001374446457 897230640 /nfs/dbraw/zinc/23/06/40/897230640.db2.gz KMYLIODFAOKBMR-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001374543530 897255621 /nfs/dbraw/zinc/25/56/21/897255621.db2.gz WKBGEDNPBWCVEA-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1ccccn1 ZINC001374685915 897342113 /nfs/dbraw/zinc/34/21/13/897342113.db2.gz QKNBHNBZDZIWCE-CQSZACIVSA-N 2 0 294.399 -0.012 20 0 CBADRP C[NH+](C)CCC(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001374733004 897361251 /nfs/dbraw/zinc/36/12/51/897361251.db2.gz CMEXRYGWXHUXPH-GFCCVEGCSA-N 2 0 282.388 -0.641 20 0 CBADRP C[NH+](C)CCCC(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001374749923 897370856 /nfs/dbraw/zinc/37/08/56/897370856.db2.gz ARBAQKWQKORDND-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001374774348 897382088 /nfs/dbraw/zinc/38/20/88/897382088.db2.gz GNUKMBMUQXHHCN-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001374774347 897383951 /nfs/dbraw/zinc/38/39/51/897383951.db2.gz GNUKMBMUQXHHCN-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374811303 897400623 /nfs/dbraw/zinc/40/06/23/897400623.db2.gz UHQYKRKMHNWMST-NWDGAFQWSA-N 2 0 294.403 -0.249 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001374827468 897404837 /nfs/dbraw/zinc/40/48/37/897404837.db2.gz IROGMQUWZCHFGS-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374842960 897407563 /nfs/dbraw/zinc/40/75/63/897407563.db2.gz QBRLNEREWCMRSR-IJLUTSLNSA-N 2 0 273.377 -0.960 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001374894000 897427189 /nfs/dbraw/zinc/42/71/89/897427189.db2.gz CQLHQLZTTHBNSJ-JTQLQIEISA-N 2 0 270.377 -0.689 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)CC)[NH+](C)C ZINC001374962893 897444009 /nfs/dbraw/zinc/44/40/09/897444009.db2.gz YKWKUKFTOQNDMV-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@H]1CCN(C)C1=O ZINC001375144649 897483662 /nfs/dbraw/zinc/48/36/62/897483662.db2.gz BPAAXLUTBPZLOR-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)NC)C1CC1)[NH+](C)C ZINC001375275435 897505280 /nfs/dbraw/zinc/50/52/80/897505280.db2.gz YLDQEBBWRKFQQH-NWDGAFQWSA-N 2 0 284.404 -0.443 20 0 CBADRP CC[C@H](C(=O)NCC1([NH2+][C@H]2CCN(C)C2=O)CC1)[NH+](C)C ZINC001375436344 897544293 /nfs/dbraw/zinc/54/42/93/897544293.db2.gz LRPQZESWJSKCJC-NWDGAFQWSA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001375480132 897551457 /nfs/dbraw/zinc/55/14/57/897551457.db2.gz PDJDJGHFNDNOSO-NWDGAFQWSA-N 2 0 298.431 -0.055 20 0 CBADRP CC[C@@H](C(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1)[NH+](C)C ZINC001375521098 897558809 /nfs/dbraw/zinc/55/88/09/897558809.db2.gz LDKMWGNBBSNZCA-MNOVXSKESA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CC[NH+](C)C ZINC001375740037 897599142 /nfs/dbraw/zinc/59/91/42/897599142.db2.gz FYCHEPQXATYIEB-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001375892105 897619037 /nfs/dbraw/zinc/61/90/37/897619037.db2.gz BJXIJLNUQPWFFB-OAHLLOKOSA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@@H](O)COC)C1 ZINC001376154926 897675204 /nfs/dbraw/zinc/67/52/04/897675204.db2.gz QTYUWRSFBDIJIH-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP CC(C)CNC(=O)CN1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001376154533 897675837 /nfs/dbraw/zinc/67/58/37/897675837.db2.gz QVKJHRSXJYKCAO-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(C)C(=O)CN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376154973 897676355 /nfs/dbraw/zinc/67/63/55/897676355.db2.gz SDBFQGDHWJDHOG-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCn2cncn2)C1 ZINC001376153356 897676747 /nfs/dbraw/zinc/67/67/47/897676747.db2.gz DTAQAUKWEVAVBM-ZDUSSCGKSA-N 2 0 294.403 -0.191 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001376169662 897680129 /nfs/dbraw/zinc/68/01/29/897680129.db2.gz DXMAORXLRSTGMG-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C[C@@H](C)O)C2)CC[N@@H+]1C ZINC001376169792 897680822 /nfs/dbraw/zinc/68/08/22/897680822.db2.gz MWOFZRRAXUHCIG-FRRDWIJNSA-N 2 0 299.415 -0.740 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]([NH2+][C@@H](C)C(N)=O)C1CC1 ZINC001376276676 897702330 /nfs/dbraw/zinc/70/23/30/897702330.db2.gz KHKBJYAZCWIBEV-CMPLNLGQSA-N 2 0 284.404 -0.315 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001376328780 897714290 /nfs/dbraw/zinc/71/42/90/897714290.db2.gz HWEDMDWHYAZSQK-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC)C1 ZINC001376340726 897714567 /nfs/dbraw/zinc/71/45/67/897714567.db2.gz MDPKDWMXAVKHJC-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C[NH2+]CC(N)=O ZINC001376356878 897716889 /nfs/dbraw/zinc/71/68/89/897716889.db2.gz CIZLIZDHFNACOE-RYUDHWBXSA-N 2 0 294.399 -0.748 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001376341481 897717417 /nfs/dbraw/zinc/71/74/17/897717417.db2.gz QYNCYJPBOIXKRO-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001376348586 897717665 /nfs/dbraw/zinc/71/76/65/897717665.db2.gz XZMPPCAULNNGMO-AVGNSLFASA-N 2 0 285.388 -0.864 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001376370401 897719246 /nfs/dbraw/zinc/71/92/46/897719246.db2.gz XVFTVNZKTLNRRQ-IJLUTSLNSA-N 2 0 282.388 -0.594 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001376397493 897722666 /nfs/dbraw/zinc/72/26/66/897722666.db2.gz DGINCWAWZSBZQK-SRVKXCTJSA-N 2 0 284.404 -0.171 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001376400463 897726835 /nfs/dbraw/zinc/72/68/35/897726835.db2.gz BAXTWZVIXWSPIB-JOCQHMNTSA-N 2 0 296.415 -0.299 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001376488492 897756388 /nfs/dbraw/zinc/75/63/88/897756388.db2.gz GCRDZPKAOJQRLE-FQUUOJAGSA-N 2 0 299.415 -0.428 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001376557008 897778149 /nfs/dbraw/zinc/77/81/49/897778149.db2.gz LPXUZDZUXFJIJV-OLZOCXBDSA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001376631326 897788136 /nfs/dbraw/zinc/78/81/36/897788136.db2.gz WCOLXCGPWWEFKR-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001376684437 897799731 /nfs/dbraw/zinc/79/97/31/897799731.db2.gz IKAJBXVDCNQXRU-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cnnn1C ZINC001376767241 897838475 /nfs/dbraw/zinc/83/84/75/897838475.db2.gz UKXNDPTZEUEPCK-WCQYABFASA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001376792822 897846677 /nfs/dbraw/zinc/84/66/77/897846677.db2.gz OITWWNDBFUDKRB-NWDGAFQWSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@H]1CCN(C)C1=O ZINC001376792819 897847270 /nfs/dbraw/zinc/84/72/70/897847270.db2.gz OITWWNDBFUDKRB-NEPJUHHUSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCn1cncn1 ZINC001376802121 897848215 /nfs/dbraw/zinc/84/82/15/897848215.db2.gz OXLCVKIHWBCWDD-CHWSQXEVSA-N 2 0 294.403 -0.286 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001376801026 897848686 /nfs/dbraw/zinc/84/86/86/897848686.db2.gz MHJPDMHLQDTLSC-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001376886959 897885548 /nfs/dbraw/zinc/88/55/48/897885548.db2.gz ZYPSHZSZRHGMRI-GFCCVEGCSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC(N)=O)CC1 ZINC001376910464 897886972 /nfs/dbraw/zinc/88/69/72/897886972.db2.gz JFXZYEXCYFGGEK-LBPRGKRZSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001376941152 897896842 /nfs/dbraw/zinc/89/68/42/897896842.db2.gz MLNHRJPDEWRDJF-ZDUSSCGKSA-N 2 0 296.415 -0.392 20 0 CBADRP C[N@H+](CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001376934082 897898192 /nfs/dbraw/zinc/89/81/92/897898192.db2.gz ISLWCMMRADNSKG-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001376967816 897905021 /nfs/dbraw/zinc/90/50/21/897905021.db2.gz WKCXNRSMVUACEC-VXGBXAGGSA-N 2 0 284.404 -0.265 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001377020671 897913238 /nfs/dbraw/zinc/91/32/38/897913238.db2.gz REBBTEJXBAJDIV-RYUDHWBXSA-N 2 0 284.404 -0.408 20 0 CBADRP C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001377359052 898022322 /nfs/dbraw/zinc/02/23/22/898022322.db2.gz ZPYRCWFHLXLVDH-CHWSQXEVSA-N 2 0 299.415 -0.738 20 0 CBADRP C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001377359061 898022637 /nfs/dbraw/zinc/02/26/37/898022637.db2.gz ZPYRCWFHLXLVDH-STQMWFEESA-N 2 0 299.415 -0.738 20 0 CBADRP CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001377485414 898062717 /nfs/dbraw/zinc/06/27/17/898062717.db2.gz XHNPYGMTXNLFSZ-RWMBFGLXSA-N 2 0 298.431 -0.055 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001377523478 898074399 /nfs/dbraw/zinc/07/43/99/898074399.db2.gz KKEMDBBDKQEASE-AVGNSLFASA-N 2 0 287.404 -0.570 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001377574568 898088486 /nfs/dbraw/zinc/08/84/86/898088486.db2.gz CKACOYLQLBDBDH-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CCC[NH+](C)C ZINC001377577887 898092268 /nfs/dbraw/zinc/09/22/68/898092268.db2.gz DWRHTBWVMJNKDO-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@H]1CCN(CC)C1=O ZINC001377587545 898097763 /nfs/dbraw/zinc/09/77/63/898097763.db2.gz DINPGBSWZWSPLG-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001377595859 898103026 /nfs/dbraw/zinc/10/30/26/898103026.db2.gz SZRPVRKQZPYUCO-LBPRGKRZSA-N 2 0 282.388 -0.735 20 0 CBADRP CNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001377756303 898128374 /nfs/dbraw/zinc/12/83/74/898128374.db2.gz BARVEJBJFGOTJQ-ZDUSSCGKSA-N 2 0 296.415 -0.392 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001377857887 898150673 /nfs/dbraw/zinc/15/06/73/898150673.db2.gz IVHGKFWSTMTVLA-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCN([C@H](C)C(=O)NC)C1 ZINC001378138001 898251009 /nfs/dbraw/zinc/25/10/09/898251009.db2.gz HQAGYZWVGMTOGM-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CCNC(=O)CN(C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001378145361 898255049 /nfs/dbraw/zinc/25/50/49/898255049.db2.gz QOHGSEXIQQAAKQ-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)[C@@H]1CCNC1=O ZINC001378195661 898271193 /nfs/dbraw/zinc/27/11/93/898271193.db2.gz YJANAFAXFZKNLJ-VXGBXAGGSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)C[NH+]1CCCC1 ZINC001454623553 914237748 /nfs/dbraw/zinc/23/77/48/914237748.db2.gz SEQCNTUENIFTLG-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@@H]1CCNC1=O ZINC001378333588 898315608 /nfs/dbraw/zinc/31/56/08/898315608.db2.gz DLEQXUWLBMDQON-NWDGAFQWSA-N 2 0 284.404 -0.301 20 0 CBADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001378344215 898321379 /nfs/dbraw/zinc/32/13/79/898321379.db2.gz OZSWNOHVJOMSDZ-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC ZINC001378569927 898355974 /nfs/dbraw/zinc/35/59/74/898355974.db2.gz UWLRLFBGOHVDSI-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC ZINC001378569921 898356491 /nfs/dbraw/zinc/35/64/91/898356491.db2.gz UWLRLFBGOHVDSI-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001378625959 898372103 /nfs/dbraw/zinc/37/21/03/898372103.db2.gz WBUPWOLOWYXLFF-GFCCVEGCSA-N 2 0 298.431 -0.194 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+][C@H]1CCNC1=O ZINC001378634251 898372868 /nfs/dbraw/zinc/37/28/68/898372868.db2.gz AJCSYXYMMKJFAS-NEPJUHHUSA-N 2 0 282.388 -0.687 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001378646156 898378066 /nfs/dbraw/zinc/37/80/66/898378066.db2.gz MWPKZHSLJUBSLZ-RYUDHWBXSA-N 2 0 284.404 -0.584 20 0 CBADRP CC[C@@H]([NH2+]C[C@H](C)CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001378654705 898381105 /nfs/dbraw/zinc/38/11/05/898381105.db2.gz XIZZWPOEDTZWCO-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001378779559 898408459 /nfs/dbraw/zinc/40/84/59/898408459.db2.gz XCRZFOIIONZYGC-QWRGUYRKSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H]([NH2+]CCO)[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001378790632 898413540 /nfs/dbraw/zinc/41/35/40/898413540.db2.gz KKPQVJOYSUOAGP-QWHCGFSZSA-N 2 0 285.388 -0.720 20 0 CBADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(N)=O ZINC001378835905 898420693 /nfs/dbraw/zinc/42/06/93/898420693.db2.gz YAXAEGVXMFKPBN-FPYNETTCSA-N 2 0 296.415 -0.315 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001378852137 898423556 /nfs/dbraw/zinc/42/35/56/898423556.db2.gz KVQNWJVXTNLECB-IJLUTSLNSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001378841683 898423680 /nfs/dbraw/zinc/42/36/80/898423680.db2.gz QHMJHKSYRRCBGW-ZDEQEGDKSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001378858038 898424673 /nfs/dbraw/zinc/42/46/73/898424673.db2.gz ZVAYMDAZUJSNQZ-NEPJUHHUSA-N 2 0 284.404 -0.537 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001378861982 898427074 /nfs/dbraw/zinc/42/70/74/898427074.db2.gz VKEYQEKQGRLORY-CHWSQXEVSA-N 2 0 298.431 -0.006 20 0 CBADRP CNC(=O)C[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001378935628 898434829 /nfs/dbraw/zinc/43/48/29/898434829.db2.gz DQRDMGUNXLGSJW-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H](C)C(N)=O ZINC001379002615 898440510 /nfs/dbraw/zinc/44/05/10/898440510.db2.gz VZJRZIDOGDDLHX-RYUDHWBXSA-N 2 0 296.415 -0.314 20 0 CBADRP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N1CCC1 ZINC001378987861 898442173 /nfs/dbraw/zinc/44/21/73/898442173.db2.gz FKYRGWULPCBMDT-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001379100301 898465955 /nfs/dbraw/zinc/46/59/55/898465955.db2.gz GGVFKSNGAVOXRQ-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CCNC(=O)CN(C)CCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001379128121 898470760 /nfs/dbraw/zinc/47/07/60/898470760.db2.gz UHHREXSTEWBJSX-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O ZINC001379134326 898472369 /nfs/dbraw/zinc/47/23/69/898472369.db2.gz JFCOEEBOPHQNMQ-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnns1 ZINC001379188134 898496675 /nfs/dbraw/zinc/49/66/75/898496675.db2.gz LTAZRMPABZGEAU-KOLCDFICSA-N 2 0 299.400 -0.801 20 0 CBADRP C[C@@H]([NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)c1cnccn1 ZINC001379238533 898517361 /nfs/dbraw/zinc/51/73/61/898517361.db2.gz LHPDHTZWQKATKY-NEPJUHHUSA-N 2 0 295.387 -0.444 20 0 CBADRP C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]CC(N)=O ZINC001379232475 898518196 /nfs/dbraw/zinc/51/81/96/898518196.db2.gz YUSHRPLFUWYYQO-SNVBAGLBSA-N 2 0 270.377 -0.750 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001379358829 898573326 /nfs/dbraw/zinc/57/33/26/898573326.db2.gz ODPRBTXDAWMHMK-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP COC[C@H](C)[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001379434681 898615378 /nfs/dbraw/zinc/61/53/78/898615378.db2.gz LWOPOBHAXZGPKE-QWHCGFSZSA-N 2 0 299.415 -0.284 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001379517756 898650587 /nfs/dbraw/zinc/65/05/87/898650587.db2.gz WSRAHVMSTWSBAY-NWDGAFQWSA-N 2 0 296.415 -0.204 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001379514909 898651707 /nfs/dbraw/zinc/65/17/07/898651707.db2.gz GWDLHULAZUGXGM-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001379518061 898655382 /nfs/dbraw/zinc/65/53/82/898655382.db2.gz YJRBRXCLGAINLB-WDEREUQCSA-N 2 0 284.404 -0.301 20 0 CBADRP CC(C)[NH2+][C@H](CO)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001379531950 898658794 /nfs/dbraw/zinc/65/87/94/898658794.db2.gz XPDHITATAGOPHE-OLZOCXBDSA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)CC[NH+](C)C ZINC001379551343 898665755 /nfs/dbraw/zinc/66/57/55/898665755.db2.gz MXLSICRUBXUYGV-JTQLQIEISA-N 2 0 270.377 -0.689 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@H]1C ZINC001379565485 898670421 /nfs/dbraw/zinc/67/04/21/898670421.db2.gz GEESQMIWQZQEEB-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC1CC1)[NH+](C)C ZINC001379578670 898673374 /nfs/dbraw/zinc/67/33/74/898673374.db2.gz FHFWSVWORQFCTJ-FZMZJTMJSA-N 2 0 298.431 -0.055 20 0 CBADRP COC[C@H](O)C[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001379782261 898728879 /nfs/dbraw/zinc/72/88/79/898728879.db2.gz LCHNXDIPPKCWDQ-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP CC(C)[NH+](C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)C[C@@H](C)O ZINC001379965480 898776139 /nfs/dbraw/zinc/77/61/39/898776139.db2.gz BYHUQIRGSQIRAG-CHWSQXEVSA-N 2 0 289.420 -0.542 20 0 CBADRP CC(C)[NH+](C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)C[C@H](C)O ZINC001379965502 898777682 /nfs/dbraw/zinc/77/76/82/898777682.db2.gz BYHUQIRGSQIRAG-STQMWFEESA-N 2 0 289.420 -0.542 20 0 CBADRP CC(C)[NH+](C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)C[C@@H](C)O ZINC001379965496 898778752 /nfs/dbraw/zinc/77/87/52/898778752.db2.gz BYHUQIRGSQIRAG-OLZOCXBDSA-N 2 0 289.420 -0.542 20 0 CBADRP CC[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001380070892 898800342 /nfs/dbraw/zinc/80/03/42/898800342.db2.gz YDMVEKCGXMYNIB-GHMZBOCLSA-N 2 0 282.388 -0.417 20 0 CBADRP CN(C(=O)CCC[NH+](C)C)C1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001380167439 898827940 /nfs/dbraw/zinc/82/79/40/898827940.db2.gz LPYOHESHVKJWLX-WXRRBKDZSA-N 2 0 296.415 -0.204 20 0 CBADRP CN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)CC[NH+](C)C)C1=O ZINC001380283130 898852300 /nfs/dbraw/zinc/85/23/00/898852300.db2.gz GDEXBEUTNYMQFP-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)CC[NH+](C)C)C1=O ZINC001380283143 898853065 /nfs/dbraw/zinc/85/30/65/898853065.db2.gz GDEXBEUTNYMQFP-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380350096 898864385 /nfs/dbraw/zinc/86/43/85/898864385.db2.gz CREYYEZIRGNODQ-SWLSCSKDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(C[NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001380400845 898874328 /nfs/dbraw/zinc/87/43/28/898874328.db2.gz VATFTWJHVJSKCQ-LALPHHSUSA-N 2 0 296.415 -0.360 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001380539433 898892157 /nfs/dbraw/zinc/89/21/57/898892157.db2.gz UMRLWPKGGPRNGG-ZFWWWQNUSA-N 2 0 299.415 -0.594 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001380562285 898902200 /nfs/dbraw/zinc/90/22/00/898902200.db2.gz BTYVIQIIELEIER-SWLSCSKDSA-N 2 0 297.399 -0.984 20 0 CBADRP CC[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CCCO)C1)[NH+](C)C ZINC001380566555 898903555 /nfs/dbraw/zinc/90/35/55/898903555.db2.gz QLJFDXGFUYTPFY-GXTWGEPZSA-N 2 0 287.404 -0.738 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001380689477 898934117 /nfs/dbraw/zinc/93/41/17/898934117.db2.gz PSYWWPWNBJWWBQ-NWDGAFQWSA-N 2 0 284.404 -0.504 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)CC1 ZINC001380789421 898949260 /nfs/dbraw/zinc/94/92/60/898949260.db2.gz IUTCGHLFUMOHTO-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001381097244 898995805 /nfs/dbraw/zinc/99/58/05/898995805.db2.gz PWZJLYBFDCTXFJ-YPMHNXCESA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001381097242 898996702 /nfs/dbraw/zinc/99/67/02/898996702.db2.gz PWZJLYBFDCTXFJ-AAEUAGOBSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001381326098 899030255 /nfs/dbraw/zinc/03/02/55/899030255.db2.gz LELYFJOSAWNGRB-UHFFFAOYSA-N 2 0 270.377 -0.832 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001455186067 914311367 /nfs/dbraw/zinc/31/13/67/914311367.db2.gz ZDKSLZQQICRIRG-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@@H]1CCN(C)C1=O ZINC001381639192 899100918 /nfs/dbraw/zinc/10/09/18/899100918.db2.gz AFCIMPJPIVTUKL-CHWSQXEVSA-N 2 0 298.431 -0.006 20 0 CBADRP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](CCn2cncn2)C1 ZINC001381803818 899115525 /nfs/dbraw/zinc/11/55/25/899115525.db2.gz MGIPUNPCJPHXRZ-GFCCVEGCSA-N 2 0 294.403 -0.334 20 0 CBADRP C[C@@H]([NH2+]CCO)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001381937507 899132185 /nfs/dbraw/zinc/13/21/85/899132185.db2.gz UTIDJCDFBUUXME-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001381956332 899135961 /nfs/dbraw/zinc/13/59/61/899135961.db2.gz IRFQMAPSSYGZIT-ZDEQEGDKSA-N 2 0 296.415 -0.171 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001381976976 899138897 /nfs/dbraw/zinc/13/88/97/899138897.db2.gz VTOAQJQZMNBHGO-SRVKXCTJSA-N 2 0 282.388 -0.832 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H]1CCCNC1=O ZINC001382112385 899157546 /nfs/dbraw/zinc/15/75/46/899157546.db2.gz LRPBYNSHRJGQSC-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(N)=O ZINC001382121608 899159959 /nfs/dbraw/zinc/15/99/59/899159959.db2.gz LYIYHNNNHYHYTE-MNOVXSKESA-N 2 0 270.377 -0.750 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001382152727 899167483 /nfs/dbraw/zinc/16/74/83/899167483.db2.gz MJGOXMSHSJWTQN-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001382154833 899167823 /nfs/dbraw/zinc/16/78/23/899167823.db2.gz QHQUMRGFWGTHKW-OLZOCXBDSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]CC(N)=O ZINC001382169704 899169076 /nfs/dbraw/zinc/16/90/76/899169076.db2.gz WRJRPQBQHADUAX-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP CC(C)[NH2+][C@H](CO)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001382206506 899195079 /nfs/dbraw/zinc/19/50/79/899195079.db2.gz IWMQKIREDMBMEN-LBPRGKRZSA-N 2 0 297.403 -0.467 20 0 CBADRP C[NH+](C)CCC(=O)NCC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001382694725 899347745 /nfs/dbraw/zinc/34/77/45/899347745.db2.gz MEBHIZYJLSYKEU-UHFFFAOYSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001385209095 899555452 /nfs/dbraw/zinc/55/54/52/899555452.db2.gz RMCCKXCVMZOUFX-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001385270332 899559998 /nfs/dbraw/zinc/55/99/98/899559998.db2.gz ICLYCZBBOAXMFI-UHFFFAOYSA-N 2 0 298.431 -0.049 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001385733393 899591847 /nfs/dbraw/zinc/59/18/47/899591847.db2.gz IGGVHIVLEURGON-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP CC[C@H](C(=O)N(C)CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001386831515 899718006 /nfs/dbraw/zinc/71/80/06/899718006.db2.gz UKNTWIHAKJJHAE-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CCN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CC[NH+](C)C ZINC001387172812 899770747 /nfs/dbraw/zinc/77/07/47/899770747.db2.gz WNEPZQUHCJQUKR-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)CC[NH+](C)C ZINC001387752827 899826578 /nfs/dbraw/zinc/82/65/78/899826578.db2.gz YEFYEKFVICOTQH-LBPRGKRZSA-N 2 0 284.404 -0.536 20 0 CBADRP C[NH+](C)CCC(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001387818889 899834101 /nfs/dbraw/zinc/83/41/01/899834101.db2.gz LXKXRSQYWMYYFM-NSHDSACASA-N 2 0 282.388 -0.783 20 0 CBADRP CC[C@@H](C(=O)NC1CN(C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001387821486 899834393 /nfs/dbraw/zinc/83/43/93/899834393.db2.gz KXBKABBLNSTURW-LBPRGKRZSA-N 2 0 284.404 -0.395 20 0 CBADRP CCN(CCNC(=O)CC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001388421782 899887521 /nfs/dbraw/zinc/88/75/21/899887521.db2.gz OWABDCVYUPFXIX-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[N@H+](C)CCC(=O)NC1CN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001389442213 900016545 /nfs/dbraw/zinc/01/65/45/900016545.db2.gz ZDRIHBNRZPPGLR-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H]([NH2+][C@H](CNC(=O)C[N@H+](C)C1CCC1)C1CC1)C(N)=O ZINC001389609929 900049492 /nfs/dbraw/zinc/04/94/92/900049492.db2.gz QPEFJANVTASXNH-GXFFZTMASA-N 2 0 296.415 -0.171 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001389821437 900077268 /nfs/dbraw/zinc/07/72/68/900077268.db2.gz SPXGDFAPJSFXHS-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001389835229 900080416 /nfs/dbraw/zinc/08/04/16/900080416.db2.gz IHLNAXFVGJWFLX-LPWJVIDDSA-N 2 0 285.388 -0.675 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001389854434 900086749 /nfs/dbraw/zinc/08/67/49/900086749.db2.gz AWBFQXGHHOLFDZ-LPWJVIDDSA-N 2 0 296.415 -0.029 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001389857515 900087129 /nfs/dbraw/zinc/08/71/29/900087129.db2.gz FNCOZKHPFBLCKE-OBJOEFQTSA-N 2 0 299.415 -0.285 20 0 CBADRP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001389863994 900087175 /nfs/dbraw/zinc/08/71/75/900087175.db2.gz VBPHNNUVIIUWHG-NQBHXWOUSA-N 2 0 294.399 -0.404 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001389870873 900087559 /nfs/dbraw/zinc/08/75/59/900087559.db2.gz OJEVYYPYTVRDQS-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001389895937 900090332 /nfs/dbraw/zinc/09/03/32/900090332.db2.gz VRHWZAPQVSRVAL-AVGNSLFASA-N 2 0 296.415 -0.156 20 0 CBADRP NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001390105754 900114356 /nfs/dbraw/zinc/11/43/56/900114356.db2.gz LKJDBHJRUBTNAR-LBPRGKRZSA-N 2 0 282.388 -0.604 20 0 CBADRP C[NH+](C)C1(C(=O)NC2CCC([NH2+]CC(N)=O)CC2)CCC1 ZINC001390274287 900128159 /nfs/dbraw/zinc/12/81/59/900128159.db2.gz QOBSZDAWMWJYNW-UHFFFAOYSA-N 2 0 296.415 -0.027 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001390411557 900155719 /nfs/dbraw/zinc/15/57/19/900155719.db2.gz XLRFFAFMLJERFG-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC(N)=O ZINC001390450784 900162043 /nfs/dbraw/zinc/16/20/43/900162043.db2.gz BPOBTRYQMDSUEB-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC)C1 ZINC001390458531 900166403 /nfs/dbraw/zinc/16/64/03/900166403.db2.gz NJCXEPDOCGYDBS-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001390464484 900167113 /nfs/dbraw/zinc/16/71/13/900167113.db2.gz FBGRCHDNNNARBX-MNOVXSKESA-N 2 0 272.393 -0.491 20 0 CBADRP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CC(N)=O ZINC001390471567 900170173 /nfs/dbraw/zinc/17/01/73/900170173.db2.gz AQCGYMGJZXZQKG-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001390506789 900177872 /nfs/dbraw/zinc/17/78/72/900177872.db2.gz HZTSHQJWPDBPHE-OCCSQVGLSA-N 2 0 298.431 -0.101 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001390517541 900180917 /nfs/dbraw/zinc/18/09/17/900180917.db2.gz YXLBWFRQAZVAOK-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H](C)C(=O)N(C)C ZINC001390510074 900181604 /nfs/dbraw/zinc/18/16/04/900181604.db2.gz OEIWDOKNXDBIOF-RYUDHWBXSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001390550693 900186961 /nfs/dbraw/zinc/18/69/61/900186961.db2.gz IISOMSFUOMORQG-NEPJUHHUSA-N 2 0 296.415 -0.204 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001390579516 900192336 /nfs/dbraw/zinc/19/23/36/900192336.db2.gz VDBJNEBKVXCLIX-QWHCGFSZSA-N 2 0 285.388 -0.720 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001390586833 900193340 /nfs/dbraw/zinc/19/33/40/900193340.db2.gz AJESMORUCOFGOQ-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001390593227 900194481 /nfs/dbraw/zinc/19/44/81/900194481.db2.gz DYASIPIMDSRPJL-LLVKDONJSA-N 2 0 270.377 -0.748 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001390595058 900194612 /nfs/dbraw/zinc/19/46/12/900194612.db2.gz QYHCEZSMJZYONW-NEPJUHHUSA-N 2 0 282.388 -0.748 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001390595104 900194684 /nfs/dbraw/zinc/19/46/84/900194684.db2.gz QYHCEZSMJZYONW-VXGBXAGGSA-N 2 0 282.388 -0.748 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001390598921 900195645 /nfs/dbraw/zinc/19/56/45/900195645.db2.gz UERVZZVNPLZBNR-LLVKDONJSA-N 2 0 282.388 -0.748 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnnn1C ZINC001390647555 900202690 /nfs/dbraw/zinc/20/26/90/900202690.db2.gz QDIKXOFROYSHCV-DGCLKSJQSA-N 2 0 294.403 -0.106 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001390714665 900216338 /nfs/dbraw/zinc/21/63/38/900216338.db2.gz MJPOBFLXOMPQTH-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](O)C[N@H+](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001390848119 900265340 /nfs/dbraw/zinc/26/53/40/900265340.db2.gz YSOZJDOGNKOBBF-LBPRGKRZSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCN(C)C1=O ZINC001391022822 900295260 /nfs/dbraw/zinc/29/52/60/900295260.db2.gz MHQFOZKJUFUUBU-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391091087 900311024 /nfs/dbraw/zinc/31/10/24/900311024.db2.gz BSVOZQJBYYPTBM-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001391222195 900344345 /nfs/dbraw/zinc/34/43/45/900344345.db2.gz FDGJUTKEYYCPAA-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CO[C@H](C)CN1CC(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001391454250 900385626 /nfs/dbraw/zinc/38/56/26/900385626.db2.gz ZIWQFWKTGWGKKU-GFCCVEGCSA-N 2 0 299.415 -0.068 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001391563582 900409104 /nfs/dbraw/zinc/40/91/04/900409104.db2.gz RNKYWSPMZMLAPU-RDBSUJKOSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001391590896 900412595 /nfs/dbraw/zinc/41/25/95/900412595.db2.gz BRODZRFFZHFDGE-BFHYXJOUSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001391668294 900429555 /nfs/dbraw/zinc/42/95/55/900429555.db2.gz VRAPPFXXMVCZLS-DGCLKSJQSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001391697846 900435131 /nfs/dbraw/zinc/43/51/31/900435131.db2.gz WLEZCOFLMZHCNU-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]C[C@H](O)COC ZINC001391719254 900437592 /nfs/dbraw/zinc/43/75/92/900437592.db2.gz PXHCTYPVZQXGAM-RWMBFGLXSA-N 2 0 287.404 -0.428 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001391860569 900452664 /nfs/dbraw/zinc/45/26/64/900452664.db2.gz CMZHHNAMGLFWCJ-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001391862860 900452866 /nfs/dbraw/zinc/45/28/66/900452866.db2.gz XFLKEVJIGCYYBI-ZIAGYGMSSA-N 2 0 299.415 -0.330 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001391883456 900459578 /nfs/dbraw/zinc/45/95/78/900459578.db2.gz UXIKINMNWABVNK-QWRGUYRKSA-N 2 0 270.377 -0.832 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001391927044 900462902 /nfs/dbraw/zinc/46/29/02/900462902.db2.gz OOBOGFRENFUNTA-WCQYABFASA-N 2 0 286.420 -0.340 20 0 CBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+][C@H]1CCNC1=O ZINC001391927262 900463169 /nfs/dbraw/zinc/46/31/69/900463169.db2.gz VRMLLRIGGQCOGG-NEPJUHHUSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001391929040 900463617 /nfs/dbraw/zinc/46/36/17/900463617.db2.gz RMIIWHKCVUBZDQ-MNOVXSKESA-N 2 0 272.393 -0.586 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1nnnn1C ZINC001391934806 900467362 /nfs/dbraw/zinc/46/73/62/900467362.db2.gz ZLKVILANSJHNNG-JTQLQIEISA-N 2 0 283.380 -0.996 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001391948905 900468631 /nfs/dbraw/zinc/46/86/31/900468631.db2.gz JETFSIDSMDOPCE-MNOVXSKESA-N 2 0 297.407 -0.608 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCC1)C(N)=O ZINC001392014073 900492391 /nfs/dbraw/zinc/49/23/91/900492391.db2.gz JEPDSQOIEIQEOD-NWDGAFQWSA-N 2 0 296.415 -0.027 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001392047013 900499257 /nfs/dbraw/zinc/49/92/57/900499257.db2.gz CQGLFAQZJJMYEU-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392132292 900521569 /nfs/dbraw/zinc/52/15/69/900521569.db2.gz LFJYZAFCFZNOOE-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001392132304 900521848 /nfs/dbraw/zinc/52/18/48/900521848.db2.gz LFJYZAFCFZNOOE-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)C[NH+]1CCCC1 ZINC001392168957 900526175 /nfs/dbraw/zinc/52/61/75/900526175.db2.gz ZABAZMZBZUKPMI-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001392219073 900535672 /nfs/dbraw/zinc/53/56/72/900535672.db2.gz JMIIPAQGZVNGLF-JHJVBQTASA-N 2 0 298.431 -0.197 20 0 CBADRP CNC(=O)[C@@H](C)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001392281013 900552527 /nfs/dbraw/zinc/55/25/27/900552527.db2.gz TYJLPHQXHFZVQM-JHJVBQTASA-N 2 0 298.431 -0.149 20 0 CBADRP CN(CCN(C)[C@H]1CCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392327744 900565001 /nfs/dbraw/zinc/56/50/01/900565001.db2.gz ULEQGRMERACSPK-NEPJUHHUSA-N 2 0 282.388 -0.783 20 0 CBADRP CNC(=O)CN(C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001392324781 900565175 /nfs/dbraw/zinc/56/51/75/900565175.db2.gz AJKRGEYUTNECEE-UHFFFAOYSA-N 2 0 270.377 -0.782 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001392394944 900602293 /nfs/dbraw/zinc/60/22/93/900602293.db2.gz RAUDKQYFHPUUIN-RYUDHWBXSA-N 2 0 273.377 -0.959 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001392413750 900609289 /nfs/dbraw/zinc/60/92/89/900609289.db2.gz WKYLDOOOYDIJAR-STQMWFEESA-N 2 0 287.404 -0.834 20 0 CBADRP CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001392426185 900614810 /nfs/dbraw/zinc/61/48/10/900614810.db2.gz LYACECKSKXVUDO-RYUDHWBXSA-N 2 0 273.377 -0.959 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)C1([NH+](C)C)CCC1 ZINC001392450946 900619366 /nfs/dbraw/zinc/61/93/66/900619366.db2.gz XPPFCNUMPFLCER-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001392503357 900638357 /nfs/dbraw/zinc/63/83/57/900638357.db2.gz JUABXGDQHTUPSB-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)CC[NH+](C)C ZINC001392506592 900641816 /nfs/dbraw/zinc/64/18/16/900641816.db2.gz WQMOVLWHIATTKV-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001392506409 900641861 /nfs/dbraw/zinc/64/18/61/900641861.db2.gz XLZLGKFVXVJOJN-IJLUTSLNSA-N 2 0 284.404 -0.445 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001392513907 900644127 /nfs/dbraw/zinc/64/41/27/900644127.db2.gz ZTGNQERHLHOSPP-GHMZBOCLSA-N 2 0 270.377 -0.832 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001392538726 900650271 /nfs/dbraw/zinc/65/02/71/900650271.db2.gz ZHPQKMWBZVOECF-LLVKDONJSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001392551939 900657534 /nfs/dbraw/zinc/65/75/34/900657534.db2.gz XKWZMLHLFKARDN-QWRGUYRKSA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001392551943 900659122 /nfs/dbraw/zinc/65/91/22/900659122.db2.gz XKWZMLHLFKARDN-WDEREUQCSA-N 2 0 270.377 -0.737 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001392571468 900663353 /nfs/dbraw/zinc/66/33/53/900663353.db2.gz MZLDTQHQTSYUJU-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP CC(C)CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001392583006 900666349 /nfs/dbraw/zinc/66/63/49/900666349.db2.gz LUWAFASPOVEAKF-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001392599423 900674656 /nfs/dbraw/zinc/67/46/56/900674656.db2.gz MPKLJDOTFSOAAS-WCQYABFASA-N 2 0 286.420 -0.197 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001392616525 900678550 /nfs/dbraw/zinc/67/85/50/900678550.db2.gz HEOCXVIPSOAVRT-RYUDHWBXSA-N 2 0 284.404 -0.348 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001392791218 900727228 /nfs/dbraw/zinc/72/72/28/900727228.db2.gz ZSINRFMCOXGRPK-VXGBXAGGSA-N 2 0 282.388 -0.689 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001392814338 900731846 /nfs/dbraw/zinc/73/18/46/900731846.db2.gz UOCDXZUUDIJODD-STQMWFEESA-N 2 0 296.415 -0.489 20 0 CBADRP C[NH+](C)CCC(=O)NCC1([NH2+][C@H]2CCCNC2=O)CC1 ZINC001392931270 900763686 /nfs/dbraw/zinc/76/36/86/900763686.db2.gz YJGOVTIHPMVRTP-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(N)=O ZINC001393053228 900786685 /nfs/dbraw/zinc/78/66/85/900786685.db2.gz LNECXPOSRHJAEF-NWDGAFQWSA-N 2 0 284.404 -0.219 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001393050830 900787068 /nfs/dbraw/zinc/78/70/68/900787068.db2.gz BSVZEXHEMCBAGF-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001393055975 900787156 /nfs/dbraw/zinc/78/71/56/900787156.db2.gz QYSYQBWAPAYZGQ-STQMWFEESA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001393055966 900787368 /nfs/dbraw/zinc/78/73/68/900787368.db2.gz QYSYQBWAPAYZGQ-OLZOCXBDSA-N 2 0 296.415 -0.204 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C2CCCC2)C1 ZINC001393083290 900789631 /nfs/dbraw/zinc/78/96/31/900789631.db2.gz JGQNUIVOUUPVCD-CHWSQXEVSA-N 2 0 296.415 -0.312 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CCCC2)C1 ZINC001393083306 900790792 /nfs/dbraw/zinc/79/07/92/900790792.db2.gz JGQNUIVOUUPVCD-STQMWFEESA-N 2 0 296.415 -0.312 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@@](C)(C[NH2+]CC(N)=O)C2)CC1 ZINC001393146477 900800455 /nfs/dbraw/zinc/80/04/55/900800455.db2.gz IEILMDBDZBHVAN-AWEZNQCLSA-N 2 0 296.415 -0.358 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@]2(O)CC[NH+](CCCO)C2)C1 ZINC001393279747 900824797 /nfs/dbraw/zinc/82/47/97/900824797.db2.gz FIEMNAKTTYCDSY-HIFRSBDPSA-N 2 0 299.415 -0.736 20 0 CBADRP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001393396908 900851069 /nfs/dbraw/zinc/85/10/69/900851069.db2.gz POWZIKLJXNCLSK-RYUDHWBXSA-N 2 0 296.415 -0.502 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001393393575 900852717 /nfs/dbraw/zinc/85/27/17/900852717.db2.gz HJHZWNVPWSAUQN-STQMWFEESA-N 2 0 298.431 -0.243 20 0 CBADRP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]CC(N)=O ZINC001393396906 900852967 /nfs/dbraw/zinc/85/29/67/900852967.db2.gz POWZIKLJXNCLSK-NWDGAFQWSA-N 2 0 296.415 -0.502 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001393518777 900868180 /nfs/dbraw/zinc/86/81/80/900868180.db2.gz MWYYYIDRGHFNNN-JHJVBQTASA-N 2 0 296.415 -0.217 20 0 CBADRP COC[C@H](C)[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001393596097 900884533 /nfs/dbraw/zinc/88/45/33/900884533.db2.gz VRYWXVOJKDFNMU-STQMWFEESA-N 2 0 287.404 -0.210 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@](CO)([NH2+]CCO)C1)[NH+](C)C ZINC001393704660 900895919 /nfs/dbraw/zinc/89/59/19/900895919.db2.gz AZHAYERKEGWXGC-JSGCOSHPSA-N 2 0 287.404 -0.738 20 0 CBADRP C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1[NH2+]CC(N)=O ZINC001393747041 900903620 /nfs/dbraw/zinc/90/36/20/900903620.db2.gz VYWMPIXNNIZNDN-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC2(CO)CC[NH+](CCO)CC2)CC[N@@H+]1C ZINC001393842384 900915460 /nfs/dbraw/zinc/91/54/60/900915460.db2.gz PBNXXWWEWMTATI-CHWSQXEVSA-N 2 0 299.415 -0.738 20 0 CBADRP CN(CC(N)=O)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001393883500 900918874 /nfs/dbraw/zinc/91/88/74/900918874.db2.gz KNZLZXDAQROWQE-NEPJUHHUSA-N 2 0 282.388 -0.654 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]1CN(C)CC(N)=O ZINC001393880950 900920161 /nfs/dbraw/zinc/92/01/61/900920161.db2.gz FJKVHRQDIYJHIO-LBPRGKRZSA-N 2 0 284.404 -0.264 20 0 CBADRP CN(CC(N)=O)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001393881360 900921432 /nfs/dbraw/zinc/92/14/32/900921432.db2.gz GEDXBKXQZRBMFL-STQMWFEESA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@H]([NH2+]CC1CC(NC(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001393906853 900927744 /nfs/dbraw/zinc/92/77/44/900927744.db2.gz RZDBMXJKMDOACZ-UNXYVOJBSA-N 2 0 296.415 -0.314 20 0 CBADRP CC[C@@H](C(=O)NC1CC(C[NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001393905251 900928603 /nfs/dbraw/zinc/92/86/03/900928603.db2.gz BHFGYYTWENXFDU-MCIGGMRASA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H]([NH2+]Cc1cnnn1C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001393968956 900944159 /nfs/dbraw/zinc/94/41/59/900944159.db2.gz JJPMSNFJLVXGDK-MNOVXSKESA-N 2 0 282.392 -0.250 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001393981921 900947943 /nfs/dbraw/zinc/94/79/43/900947943.db2.gz YFZOGRZIYCJTAK-MNOVXSKESA-N 2 0 272.393 -0.443 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)[C@H]1CCCNC1=O ZINC001394139341 900983295 /nfs/dbraw/zinc/98/32/95/900983295.db2.gz WCKBKDCCNLVDPB-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]([NH2+]CCO)[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001394333042 901014540 /nfs/dbraw/zinc/01/45/40/901014540.db2.gz NVOPTRJSCFOMNP-OCCSQVGLSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H](C)C(N)=O ZINC001394540948 901047947 /nfs/dbraw/zinc/04/79/47/901047947.db2.gz RBMONAROMVICTM-MNOVXSKESA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001394540961 901048491 /nfs/dbraw/zinc/04/84/91/901048491.db2.gz RBMONAROMVICTM-WDEREUQCSA-N 2 0 282.388 -0.608 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001394563817 901054466 /nfs/dbraw/zinc/05/44/66/901054466.db2.gz CAVLPHHBBOBHOY-VXGBXAGGSA-N 2 0 284.404 -0.348 20 0 CBADRP C[N@H+](CC(=O)NC[C@@H](CO)[NH2+]CCO)CC(C)(C)C ZINC001394638312 901100798 /nfs/dbraw/zinc/10/07/98/901100798.db2.gz SOBPDTLNRZMQGG-NSHDSACASA-N 2 0 275.393 -0.977 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001394679309 901114665 /nfs/dbraw/zinc/11/46/65/901114665.db2.gz PQCRLSIOCYLVCY-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001394670395 901117348 /nfs/dbraw/zinc/11/73/48/901117348.db2.gz LZDIBNLQYXVRSJ-NEPJUHHUSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCN1C(=O)CC[NH+](C)C ZINC001395863990 901276493 /nfs/dbraw/zinc/27/64/93/901276493.db2.gz RHKQMDHYMQLFIK-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001397140651 901367787 /nfs/dbraw/zinc/36/77/87/901367787.db2.gz NSRGFVBVPWERON-HAQNSBGRSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CC[NH+](C)C ZINC001397557725 901431112 /nfs/dbraw/zinc/43/11/12/901431112.db2.gz INZAOKZGBLDUTP-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP Cn1ncc(C[NH2+][C@H]2C[C@@H](CNC(=O)CC[NH+](C)C)C2)n1 ZINC001397630351 901442081 /nfs/dbraw/zinc/44/20/81/901442081.db2.gz PZIMDOUPZSVTLC-TXEJJXNPSA-N 2 0 294.403 -0.249 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001397686579 901445812 /nfs/dbraw/zinc/44/58/12/901445812.db2.gz VRCABLAWNXJLEG-IJLUTSLNSA-N 2 0 282.388 -0.832 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001397654260 901445839 /nfs/dbraw/zinc/44/58/39/901445839.db2.gz VOBOYPBIHBOMEZ-AVGNSLFASA-N 2 0 296.415 -0.170 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001398450033 901541560 /nfs/dbraw/zinc/54/15/60/901541560.db2.gz KRJMXJYAUDKUGS-QWHCGFSZSA-N 2 0 296.415 -0.170 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cn2cncc2C)C1 ZINC001398513713 901548223 /nfs/dbraw/zinc/54/82/23/901548223.db2.gz PVPYGUSKGBBIMY-QWHCGFSZSA-N 2 0 296.371 -0.611 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001398534853 901549111 /nfs/dbraw/zinc/54/91/11/901549111.db2.gz HCZDELSEPAGUTO-DCAQKATOSA-N 2 0 282.388 -0.419 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001398534866 901549347 /nfs/dbraw/zinc/54/93/47/901549347.db2.gz UKYCCNRXPLPVGZ-RYUDHWBXSA-N 2 0 284.404 -0.348 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC001398538227 901553386 /nfs/dbraw/zinc/55/33/86/901553386.db2.gz JWQRGDSNUCVZDB-SRVKXCTJSA-N 2 0 294.399 -0.404 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2ccnc2)C1 ZINC001398564010 901562379 /nfs/dbraw/zinc/56/23/79/901562379.db2.gz SRSGMLGOJBUUAS-HAQNSBGRSA-N 2 0 293.371 -0.402 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001398574891 901564897 /nfs/dbraw/zinc/56/48/97/901564897.db2.gz CFZKZDRHOBGPNC-JHJVBQTASA-N 2 0 294.399 -0.404 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC(NC(=O)C[NH+](C)C(C)C)C1 ZINC001398618595 901575626 /nfs/dbraw/zinc/57/56/26/901575626.db2.gz LUSMKWMEKQIGEW-UHFFFAOYSA-N 2 0 298.431 -0.005 20 0 CBADRP Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001398621701 901579399 /nfs/dbraw/zinc/57/93/99/901579399.db2.gz SHPNMMJACJKUBG-TXEJJXNPSA-N 2 0 294.403 -0.106 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001398659959 901584188 /nfs/dbraw/zinc/58/41/88/901584188.db2.gz FQUYMVUADFILTQ-UTUOFQBUSA-N 2 0 282.388 -0.689 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001398670759 901588271 /nfs/dbraw/zinc/58/82/71/901588271.db2.gz NMBXGPCDAMRKDZ-SCRDCRAPSA-N 2 0 298.431 -0.055 20 0 CBADRP C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C)C(N)=O ZINC001398763498 901602633 /nfs/dbraw/zinc/60/26/33/901602633.db2.gz OVFPDHMHNBJNJB-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001399122306 901668633 /nfs/dbraw/zinc/66/86/33/901668633.db2.gz QXDWMCZAIOFNEP-MNOVXSKESA-N 2 0 270.377 -0.832 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCN1CCCC1=O ZINC001399112742 901669810 /nfs/dbraw/zinc/66/98/10/901669810.db2.gz LYOFWUDNFINIAV-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001399151985 901672141 /nfs/dbraw/zinc/67/21/41/901672141.db2.gz BUCPKPOSHJVPDL-WCQYABFASA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001399151988 901672191 /nfs/dbraw/zinc/67/21/91/901672191.db2.gz BUCPKPOSHJVPDL-YPMHNXCESA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001399151405 901673630 /nfs/dbraw/zinc/67/36/30/901673630.db2.gz BUCPKPOSHJVPDL-DGCLKSJQSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001399163377 901678639 /nfs/dbraw/zinc/67/86/39/901678639.db2.gz NQESKRPLJXJEDA-LLVKDONJSA-N 2 0 272.393 -0.491 20 0 CBADRP Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001399230377 901685928 /nfs/dbraw/zinc/68/59/28/901685928.db2.gz BUZNMOPPROQEDQ-GFCCVEGCSA-N 2 0 294.403 -0.295 20 0 CBADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001399231438 901686281 /nfs/dbraw/zinc/68/62/81/901686281.db2.gz SYTQOMUNRXMOGR-JSGCOSHPSA-N 2 0 298.431 -0.149 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001399294980 901690748 /nfs/dbraw/zinc/69/07/48/901690748.db2.gz URTDRVDJOIBUSD-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(N)=O ZINC001399338508 901701632 /nfs/dbraw/zinc/70/16/32/901701632.db2.gz GTJYYMYQIOLGDJ-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)CNC(=O)C[NH+]1CCCC1 ZINC001399386601 901707295 /nfs/dbraw/zinc/70/72/95/901707295.db2.gz GGECSVPRAZDFAM-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CN(CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CC[NH+](C)C ZINC001399670659 901772097 /nfs/dbraw/zinc/77/20/97/901772097.db2.gz MAPDDXJGRBMIRE-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001399955129 901841320 /nfs/dbraw/zinc/84/13/20/901841320.db2.gz RXEDVQPKAZGPHA-CHWSQXEVSA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001400046569 901861658 /nfs/dbraw/zinc/86/16/58/901861658.db2.gz FQDNSXXVFQPWGF-VXGBXAGGSA-N 2 0 284.404 -0.395 20 0 CBADRP CC[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001400048366 901862206 /nfs/dbraw/zinc/86/22/06/901862206.db2.gz HKTFJPCNKSCABP-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C)C(N)=O ZINC001400075187 901874755 /nfs/dbraw/zinc/87/47/55/901874755.db2.gz ZJHOONUGQWCQEV-NSHDSACASA-N 2 0 286.420 -0.114 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]CC(=O)NC ZINC001400870762 902033974 /nfs/dbraw/zinc/03/39/74/902033974.db2.gz YSIIWMHDRQKYNH-WCQYABFASA-N 2 0 286.420 -0.197 20 0 CBADRP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H](C)C(=O)NC ZINC001400903499 902037356 /nfs/dbraw/zinc/03/73/56/902037356.db2.gz KJILBRBFYXJARE-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001401009185 902039493 /nfs/dbraw/zinc/03/94/93/902039493.db2.gz MICPTJJRPWVNFQ-XHDPSFHLSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001401009183 902039613 /nfs/dbraw/zinc/03/96/13/902039613.db2.gz MICPTJJRPWVNFQ-NHYWBVRUSA-N 2 0 296.415 -0.312 20 0 CBADRP Cc1nnc(C[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C)[nH]1 ZINC001401131697 902060567 /nfs/dbraw/zinc/06/05/67/902060567.db2.gz XUQADPMEXQYADP-SNVBAGLBSA-N 2 0 282.392 -0.093 20 0 CBADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH2+]CC(=O)N(C)C ZINC001401128593 902061077 /nfs/dbraw/zinc/06/10/77/902061077.db2.gz KZJFHBKXGFASHE-QWHCGFSZSA-N 2 0 298.431 -0.242 20 0 CBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]CC(=O)N(C)C ZINC001401130958 902061395 /nfs/dbraw/zinc/06/13/95/902061395.db2.gz TWAGTNUFPIUVHB-GFCCVEGCSA-N 2 0 298.431 -0.242 20 0 CBADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH2+]CC(=O)N(C)C ZINC001401128595 902061697 /nfs/dbraw/zinc/06/16/97/902061697.db2.gz KZJFHBKXGFASHE-STQMWFEESA-N 2 0 298.431 -0.242 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]CC(N)=O ZINC001401131833 902061902 /nfs/dbraw/zinc/06/19/02/902061902.db2.gz IDSZVWSIMHVGRY-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001401236932 902088397 /nfs/dbraw/zinc/08/83/97/902088397.db2.gz HMCPLKHJRKVHRW-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001401220999 902089155 /nfs/dbraw/zinc/08/91/55/902089155.db2.gz OVXPNKKHUFRPLM-AAEUAGOBSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001401265022 902097346 /nfs/dbraw/zinc/09/73/46/902097346.db2.gz YDQMNMPQDMEENQ-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H](C)C(N)=O ZINC001401353081 902109976 /nfs/dbraw/zinc/10/99/76/902109976.db2.gz RZHNFHRNSRTOER-NEPJUHHUSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H](C)C(N)=O ZINC001401353099 902111604 /nfs/dbraw/zinc/11/16/04/902111604.db2.gz RZHNFHRNSRTOER-VXGBXAGGSA-N 2 0 284.404 -0.314 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CC[NH2+][C@@H]1CCNC1=O ZINC001401601870 902183085 /nfs/dbraw/zinc/18/30/85/902183085.db2.gz FGDMLEFLXRLQBU-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001401610054 902188352 /nfs/dbraw/zinc/18/83/52/902188352.db2.gz MNEFEAQBKRWARV-MNOVXSKESA-N 2 0 270.377 -0.750 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001401632242 902199757 /nfs/dbraw/zinc/19/97/57/902199757.db2.gz DPQKWTTWYDBUSY-OUAUKWLOSA-N 2 0 270.377 -0.691 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001401650803 902208752 /nfs/dbraw/zinc/20/87/52/902208752.db2.gz HMZKJQPCOFLJLC-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001401695789 902235423 /nfs/dbraw/zinc/23/54/23/902235423.db2.gz VYEXKXSFBQTKGJ-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C ZINC001401702057 902238509 /nfs/dbraw/zinc/23/85/09/902238509.db2.gz ZGNYKXKSBBFAKP-LBPRGKRZSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C ZINC001401718387 902245554 /nfs/dbraw/zinc/24/55/54/902245554.db2.gz PHQDHUGZIWMIBM-NWDGAFQWSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001401721511 902246096 /nfs/dbraw/zinc/24/60/96/902246096.db2.gz VWTULEAHPTUUBD-NSHDSACASA-N 2 0 296.415 -0.312 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001401866501 902292894 /nfs/dbraw/zinc/29/28/94/902292894.db2.gz JMIPYFAUEVBCFP-GFCCVEGCSA-N 2 0 284.404 -0.443 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CC2)CC[N@@H+]1C ZINC001401948582 902322456 /nfs/dbraw/zinc/32/24/56/902322456.db2.gz OKARACYVLXNCAU-WDEREUQCSA-N 2 0 282.388 -0.560 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NC)CC1 ZINC001401989756 902332840 /nfs/dbraw/zinc/33/28/40/902332840.db2.gz YKNRYFCLHNAGIC-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[C@H]([NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1)C(N)=O ZINC001402033419 902343487 /nfs/dbraw/zinc/34/34/87/902343487.db2.gz QYGIJUYTBGOKBA-NSHDSACASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001402060361 902345734 /nfs/dbraw/zinc/34/57/34/902345734.db2.gz PTGZHVVTHRYWGV-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001402059712 902347433 /nfs/dbraw/zinc/34/74/33/902347433.db2.gz MRNMCWIMMOYMOG-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1)C(N)=O ZINC001402078521 902349992 /nfs/dbraw/zinc/34/99/92/902349992.db2.gz MWWPBRMMQAPNOO-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP CO[C@@H](C)C[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001402257813 902395161 /nfs/dbraw/zinc/39/51/61/902395161.db2.gz BLOILUWEMIAQOI-JSGCOSHPSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1CC12CC[NH+](CC(N)=O)CC2)[NH+](C)C ZINC001402252888 902397069 /nfs/dbraw/zinc/39/70/69/902397069.db2.gz OYSINSVLJRQBHK-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]cn2)C1)C(N)=O ZINC001402500711 902466449 /nfs/dbraw/zinc/46/64/49/902466449.db2.gz IRBQEKLLIOTBKI-IJLUTSLNSA-N 2 0 293.371 -0.157 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001402508058 902468285 /nfs/dbraw/zinc/46/82/85/902468285.db2.gz MWZSJSQDSKLBCT-IJLUTSLNSA-N 2 0 284.404 -0.301 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1)[NH+](C)C ZINC001402533976 902472587 /nfs/dbraw/zinc/47/25/87/902472587.db2.gz IUWPDNNZDAOQGM-CYDGBPFRSA-N 2 0 296.415 -0.158 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1)C(N)=O ZINC001402549428 902476384 /nfs/dbraw/zinc/47/63/84/902476384.db2.gz JMEXAUKHKLSACG-JHJVBQTASA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(=O)N(C)C ZINC001402555558 902477458 /nfs/dbraw/zinc/47/74/58/902477458.db2.gz ZHMVXDSUQRGLBT-RNJOBUHISA-N 2 0 296.415 -0.348 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)CC2)CC1 ZINC001402622505 902494206 /nfs/dbraw/zinc/49/42/06/902494206.db2.gz LLVQQIPALPHZGO-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001402726978 902507856 /nfs/dbraw/zinc/50/78/56/902507856.db2.gz VEQZBYRKIFTNHC-JSGCOSHPSA-N 2 0 287.404 -0.738 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001402820116 902526511 /nfs/dbraw/zinc/52/65/11/902526511.db2.gz XKVKFRSERIUMGJ-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP Cc1ncoc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001402865696 902542286 /nfs/dbraw/zinc/54/22/86/902542286.db2.gz LHEPCRQLSXFFCY-GXFFZTMASA-N 2 0 296.371 -0.092 20 0 CBADRP CC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC1CC1)[NH+](C)C ZINC001402913460 902561574 /nfs/dbraw/zinc/56/15/74/902561574.db2.gz HZMYELSQMAULSU-CMPLNLGQSA-N 2 0 284.404 -0.301 20 0 CBADRP CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001402949462 902572857 /nfs/dbraw/zinc/57/28/57/902572857.db2.gz MGNUFJDFWLPVSZ-OTTFEQOBSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H]1CCCNC1=O ZINC001402996572 902586790 /nfs/dbraw/zinc/58/67/90/902586790.db2.gz AJIGMTNLPSSLCS-NEPJUHHUSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@H]([NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001403042211 902599521 /nfs/dbraw/zinc/59/95/21/902599521.db2.gz IOKLWPUTUWHHRS-JQWIXIFHSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001403070706 902609790 /nfs/dbraw/zinc/60/97/90/902609790.db2.gz VXQJPXNHEBZPNC-BPCQOVAHSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001403163662 902635546 /nfs/dbraw/zinc/63/55/46/902635546.db2.gz SYKHDLUTJVENLX-GRYCIOLGSA-N 2 0 282.388 -0.737 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001403217500 902650566 /nfs/dbraw/zinc/65/05/66/902650566.db2.gz VQSWXDIXWMWPIR-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1cnnn1C ZINC001403427422 902687787 /nfs/dbraw/zinc/68/77/87/902687787.db2.gz FQPWRKXKJBJRTC-LLVKDONJSA-N 2 0 282.392 -0.249 20 0 CBADRP C[C@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+][C@H]1CCNC1=O ZINC001403435772 902689992 /nfs/dbraw/zinc/68/99/92/902689992.db2.gz SAQLYPXQIQSEDR-YPMHNXCESA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001403446897 902693664 /nfs/dbraw/zinc/69/36/64/902693664.db2.gz QDUFBFWVIOLCFZ-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001403465554 902695124 /nfs/dbraw/zinc/69/51/24/902695124.db2.gz JJCOGTHLFGUANK-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001403510019 902706612 /nfs/dbraw/zinc/70/66/12/902706612.db2.gz KOIYSZYNCPBXNF-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cnnn1C ZINC001403532553 902715893 /nfs/dbraw/zinc/71/58/93/902715893.db2.gz URXBBJWIDPNTRE-YPMHNXCESA-N 2 0 294.403 -0.154 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCN(C)[C@H]1CCCNC1=O ZINC001403744619 902833800 /nfs/dbraw/zinc/83/38/00/902833800.db2.gz XCMJNCYRLUMTRE-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP Cn1nccc1C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001403763591 902844899 /nfs/dbraw/zinc/84/48/99/902844899.db2.gz ZVCBBEQCJXCOLK-LBPRGKRZSA-N 2 0 295.387 -0.917 20 0 CBADRP CCN1CCO[C@H](C(=O)NCC[N@H+](CC)C[C@H](C)O)C1 ZINC001403949914 902910767 /nfs/dbraw/zinc/91/07/67/902910767.db2.gz OMBYTDPTIFUDDQ-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C)C1 ZINC001403993873 902921454 /nfs/dbraw/zinc/92/14/54/902921454.db2.gz VUROWZOXVYONIN-NWDGAFQWSA-N 2 0 298.431 -0.066 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+][C@H](C)C(N)=O)C1 ZINC001404014135 902925186 /nfs/dbraw/zinc/92/51/86/902925186.db2.gz GLGPDOLRDSIEIS-VOMCLLRMSA-N 2 0 284.404 -0.219 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001404098286 902939048 /nfs/dbraw/zinc/93/90/48/902939048.db2.gz ZPVIOOOCCKCUGC-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001404084530 902939158 /nfs/dbraw/zinc/93/91/58/902939158.db2.gz MMXIXMRMOZSLDH-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H]1CCCNC1=O ZINC001404432215 902984972 /nfs/dbraw/zinc/98/49/72/902984972.db2.gz DJXBTKDOOYEFPG-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001404429194 902985212 /nfs/dbraw/zinc/98/52/12/902985212.db2.gz BVBZFFVMUBRWSA-GFCCVEGCSA-N 2 0 294.399 -0.639 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C ZINC001404479135 902990956 /nfs/dbraw/zinc/99/09/56/902990956.db2.gz VKNQHNFWTJFWJV-NWDGAFQWSA-N 2 0 284.404 -0.395 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(N)=O)[NH+](C)C ZINC001405673363 903198731 /nfs/dbraw/zinc/19/87/31/903198731.db2.gz QIKBEYKBYZXHAL-JQWIXIFHSA-N 2 0 272.393 -0.600 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001405676265 903199445 /nfs/dbraw/zinc/19/94/45/903199445.db2.gz ZCELQZYXPMYYCO-NWDGAFQWSA-N 2 0 296.419 -0.003 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001405824515 903229003 /nfs/dbraw/zinc/22/90/03/903229003.db2.gz ZCXWPQUDUVZKCG-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001405845201 903232008 /nfs/dbraw/zinc/23/20/08/903232008.db2.gz ARQOFUSGGRLINY-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCOC2)CCO1 ZINC001405876338 903242288 /nfs/dbraw/zinc/24/22/88/903242288.db2.gz NUEKCTNRMSUWKF-UONOGXRCSA-N 2 0 299.415 -0.208 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001405900134 903245802 /nfs/dbraw/zinc/24/58/02/903245802.db2.gz PADBCBOSEVWFAJ-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]Cc1cccnc1 ZINC001406255148 903327154 /nfs/dbraw/zinc/32/71/54/903327154.db2.gz FZNAZIGCBQYDPV-CYBMUJFWSA-N 2 0 280.372 -0.400 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](O)C[NH2+]CC1CC1 ZINC001406283868 903343752 /nfs/dbraw/zinc/34/37/52/903343752.db2.gz JOLSMQIRZPCJMV-GXTWGEPZSA-N 2 0 299.415 -0.569 20 0 CBADRP Cc1oncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001406293337 903348204 /nfs/dbraw/zinc/34/82/04/903348204.db2.gz QDDPPWXQGYKVMB-YPMHNXCESA-N 2 0 296.371 -0.499 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1ccnn1C ZINC001406315868 903354047 /nfs/dbraw/zinc/35/40/47/903354047.db2.gz ZJBAYQUUPDRLCL-CYBMUJFWSA-N 2 0 297.403 -0.673 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001406365106 903378390 /nfs/dbraw/zinc/37/83/90/903378390.db2.gz ZBTGYTHXDLZLSX-FVCCEPFGSA-N 2 0 287.404 -0.572 20 0 CBADRP C[C@H](CNCc1cnn(C)n1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001406382360 903381988 /nfs/dbraw/zinc/38/19/88/903381988.db2.gz POZPLWCPOFIPAP-YPMHNXCESA-N 2 0 294.403 -0.106 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C ZINC001406387030 903387136 /nfs/dbraw/zinc/38/71/36/903387136.db2.gz XOQPWLUPQLWNAM-GRYCIOLGSA-N 2 0 284.404 -0.348 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001406398417 903389721 /nfs/dbraw/zinc/38/97/21/903389721.db2.gz GKFIHMXPSYQRJC-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1)C(=O)NC1CC1 ZINC001406566747 903432902 /nfs/dbraw/zinc/43/29/02/903432902.db2.gz ZZWWBDFJYWIRTP-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CC[NH+]1CCCCC1 ZINC001406563616 903435482 /nfs/dbraw/zinc/43/54/82/903435482.db2.gz SGDSNKHDACQEEK-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](C[N@H+](C)CCN1CCCC1=O)NC(=O)CC[NH+](C)C ZINC001406648710 903455719 /nfs/dbraw/zinc/45/57/19/903455719.db2.gz ANZINGKBNHFOFL-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001406782759 903478854 /nfs/dbraw/zinc/47/88/54/903478854.db2.gz MBQRJADNIBOVAP-GFCCVEGCSA-N 2 0 294.399 -0.687 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001406794652 903480329 /nfs/dbraw/zinc/48/03/29/903480329.db2.gz VBGOKPHANYVUPD-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001406852137 903492396 /nfs/dbraw/zinc/49/23/96/903492396.db2.gz GVNJQWOCHZKUCN-KBPBESRZSA-N 2 0 299.415 -0.474 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001406954137 903518319 /nfs/dbraw/zinc/51/83/19/903518319.db2.gz LZTHRXRJELSUEH-UHFFFAOYSA-N 2 0 296.415 -0.155 20 0 CBADRP CN1CC[C@@H]([NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001407012914 903524206 /nfs/dbraw/zinc/52/42/06/903524206.db2.gz LIHVGXSRRVBNMQ-VXGBXAGGSA-N 2 0 294.399 -0.593 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001406991706 903524425 /nfs/dbraw/zinc/52/44/25/903524425.db2.gz WOJFKPHUFKAJIB-LLVKDONJSA-N 2 0 294.399 -0.545 20 0 CBADRP CN1CC[C@H]([NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001407012910 903525964 /nfs/dbraw/zinc/52/59/64/903525964.db2.gz LIHVGXSRRVBNMQ-NEPJUHHUSA-N 2 0 294.399 -0.593 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001407167353 903552693 /nfs/dbraw/zinc/55/26/93/903552693.db2.gz ZJZUHHBXGHQUOL-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP COCC[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001407365101 903581035 /nfs/dbraw/zinc/58/10/35/903581035.db2.gz NTVHUJJMCKVALU-CYBMUJFWSA-N 2 0 273.377 -0.863 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001407369871 903582530 /nfs/dbraw/zinc/58/25/30/903582530.db2.gz SOKJFGVKNHSBEF-IUODEOHRSA-N 2 0 299.415 -0.738 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCCF)C1 ZINC001407387568 903591231 /nfs/dbraw/zinc/59/12/31/903591231.db2.gz UUHIBLYMONARBO-TZMCWYRMSA-N 2 0 287.379 -0.007 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001407823918 903665083 /nfs/dbraw/zinc/66/50/83/903665083.db2.gz HGEYPUIVRQQJJC-UHFFFAOYSA-N 2 0 270.377 -0.558 20 0 CBADRP CNC(=O)[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001407883414 903674867 /nfs/dbraw/zinc/67/48/67/903674867.db2.gz YJPLCEHCZNXQBD-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CCNC(=O)C[N@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001407948871 903678731 /nfs/dbraw/zinc/67/87/31/903678731.db2.gz RHAIOGQGTYUMLY-UHFFFAOYSA-N 2 0 298.431 -0.001 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001408097485 903708173 /nfs/dbraw/zinc/70/81/73/903708173.db2.gz JDOYHPPWKSWNOC-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001408113110 903711804 /nfs/dbraw/zinc/71/18/04/903711804.db2.gz YOCHCBCNTNDGQE-QWRGUYRKSA-N 2 0 270.377 -0.750 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001408173101 903724109 /nfs/dbraw/zinc/72/41/09/903724109.db2.gz HERBWNLZRAVULX-XQQFMLRXSA-N 2 0 287.404 -0.428 20 0 CBADRP CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001408211773 903733121 /nfs/dbraw/zinc/73/31/21/903733121.db2.gz KXJDKRWBZJIZHN-TUAOUCFPSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCCNC1=O ZINC001408242508 903734738 /nfs/dbraw/zinc/73/47/38/903734738.db2.gz BOIWKOIUXKJHAG-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)NC(=O)CC[NH+](C)C ZINC001408336219 903751863 /nfs/dbraw/zinc/75/18/63/903751863.db2.gz SCNOSDLXTOZBJT-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+](C)CCC(=O)NCC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001409176514 903864520 /nfs/dbraw/zinc/86/45/20/903864520.db2.gz CKDXHIJNRWGMNK-ZDUSSCGKSA-N 2 0 296.415 -0.393 20 0 CBADRP C[N@H+](CC(=O)NC1CC(C[NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001409296291 903878582 /nfs/dbraw/zinc/87/85/82/903878582.db2.gz JHVIJYNXSHRSCE-UHFFFAOYSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@@H](C)[NH2+]CC(N)=O ZINC001409443746 903901187 /nfs/dbraw/zinc/90/11/87/903901187.db2.gz CIDZESMWXFANJT-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001409682734 903956993 /nfs/dbraw/zinc/95/69/93/903956993.db2.gz NSXIIRMMQDXZTG-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001410183548 904037947 /nfs/dbraw/zinc/03/79/47/904037947.db2.gz SQAZSXANRKDHMY-DRZSPHRISA-N 2 0 294.399 -0.702 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)[C@H](C[NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001410335358 904070880 /nfs/dbraw/zinc/07/08/80/904070880.db2.gz UZMLGVHZAXMMAN-OCCSQVGLSA-N 2 0 298.431 -0.116 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC(N)=O ZINC001410368364 904082705 /nfs/dbraw/zinc/08/27/05/904082705.db2.gz BEQLIXFCYROKKO-JQWIXIFHSA-N 2 0 282.388 -0.750 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001410379544 904085025 /nfs/dbraw/zinc/08/50/25/904085025.db2.gz NDFUXYMQIKCIFP-QJPTWQEYSA-N 2 0 284.404 -0.491 20 0 CBADRP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)N(C)C ZINC001410392349 904086775 /nfs/dbraw/zinc/08/67/75/904086775.db2.gz KBVBYNHFXBCFGB-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](CN(C)C(=O)CCc1nccn1C)[NH2+][C@@H](C)C(N)=O ZINC001410436987 904098071 /nfs/dbraw/zinc/09/80/71/904098071.db2.gz XAMTUOZUTAHUHR-QWRGUYRKSA-N 2 0 295.387 -0.337 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H]1CCN(C)C1=O ZINC001410445559 904101146 /nfs/dbraw/zinc/10/11/46/904101146.db2.gz WIZOCTXKCQFKQD-NWDGAFQWSA-N 2 0 284.404 -0.395 20 0 CBADRP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001410477701 904104615 /nfs/dbraw/zinc/10/46/15/904104615.db2.gz BLIUYLUCDCUFHP-MNOVXSKESA-N 2 0 270.377 -0.750 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001410496373 904109923 /nfs/dbraw/zinc/10/99/23/904109923.db2.gz FXRPVHJWMNIJMC-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](CO)[NH2+]CCO)C1 ZINC001410718844 904170138 /nfs/dbraw/zinc/17/01/38/904170138.db2.gz BVCHELNAUKYPRJ-QWHCGFSZSA-N 2 0 287.404 -0.833 20 0 CBADRP CO[C@H](C)C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001410732787 904173276 /nfs/dbraw/zinc/17/32/76/904173276.db2.gz PKNIKISFINTGOL-DGCLKSJQSA-N 2 0 287.404 -0.570 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]C[C@H]2CCOC2)CC1 ZINC001410735315 904175806 /nfs/dbraw/zinc/17/58/06/904175806.db2.gz SBQALJBIBYGKBM-TZMCWYRMSA-N 2 0 299.415 -0.569 20 0 CBADRP CO[C@@H](C)C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001410732789 904177015 /nfs/dbraw/zinc/17/70/15/904177015.db2.gz PKNIKISFINTGOL-WCQYABFASA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001410853710 904195187 /nfs/dbraw/zinc/19/51/87/904195187.db2.gz MPEHURQYCXEQON-GHMZBOCLSA-N 2 0 282.388 -0.608 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001410888227 904200103 /nfs/dbraw/zinc/20/01/03/904200103.db2.gz RMMAYQWATAAMRE-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[C@@H](C(=O)N1CC(N(C)C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001410912937 904201947 /nfs/dbraw/zinc/20/19/47/904201947.db2.gz HETUMDKLPJPQRK-ZDUSSCGKSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001410939677 904205980 /nfs/dbraw/zinc/20/59/80/904205980.db2.gz NSJXJRAJBFTGPD-NWDGAFQWSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)C(C)(C)C1 ZINC001410999327 904224642 /nfs/dbraw/zinc/22/46/42/904224642.db2.gz WMISTDMNIMEVIV-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001411224480 904267725 /nfs/dbraw/zinc/26/77/25/904267725.db2.gz OVLLYEFFPCAOGN-SNVBAGLBSA-N 2 0 272.393 -0.456 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001411228212 904269744 /nfs/dbraw/zinc/26/97/44/904269744.db2.gz ZHMZVTCVVBHTMP-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001412539227 904614457 /nfs/dbraw/zinc/61/44/57/904614457.db2.gz HKJMQMWHXXUPRA-JLLWLGSASA-N 2 0 293.371 -0.477 20 0 CBADRP C[C@@H]1C[N@H+](CCO)CCN1C[C@@H](O)C[NH+](C)C1CC1 ZINC001412995180 904854646 /nfs/dbraw/zinc/85/46/46/904854646.db2.gz LCAHOJLSLWRLNU-OCCSQVGLSA-N 2 0 271.405 -0.560 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnnn1C)CN1CC[NH+](C)CC1 ZINC001461174687 914854189 /nfs/dbraw/zinc/85/41/89/914854189.db2.gz VPDNDPNRKCZGOF-LBPRGKRZSA-N 2 0 266.393 -0.212 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)[C@H]1CCC[NH+]1C ZINC001415238347 905587332 /nfs/dbraw/zinc/58/73/32/905587332.db2.gz DTWIDCRVOCELCK-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[NH+](C)CC(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001416821858 905809171 /nfs/dbraw/zinc/80/91/71/905809171.db2.gz PPGFRXMVTQUECU-OLZOCXBDSA-N 2 0 298.431 -0.101 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001417021515 905852618 /nfs/dbraw/zinc/85/26/18/905852618.db2.gz LWNSIUYPLIFHKO-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP C[N@H+](CC(=O)NCC1(O)CC[NH+](C)CC1)[C@@H]1CCC[C@H]1O ZINC001417652474 905961088 /nfs/dbraw/zinc/96/10/88/905961088.db2.gz VGMCXQHDUWNEIU-CHWSQXEVSA-N 2 0 299.415 -0.596 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001417776552 906047429 /nfs/dbraw/zinc/04/74/29/906047429.db2.gz VMNAHJMOTBQUQI-RWMBFGLXSA-N 2 0 298.431 -0.053 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001417798353 906055910 /nfs/dbraw/zinc/05/59/10/906055910.db2.gz UTGDQVLWPINNIH-HAQNSBGRSA-N 2 0 284.404 -0.441 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001417810929 906057156 /nfs/dbraw/zinc/05/71/56/906057156.db2.gz DRNABRCYWLJANC-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001417801376 906057544 /nfs/dbraw/zinc/05/75/44/906057544.db2.gz XZPYVNLXYUZOQZ-AVGNSLFASA-N 2 0 294.399 -0.545 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)CCC1 ZINC001417810272 906057734 /nfs/dbraw/zinc/05/77/34/906057734.db2.gz ULMCSYNANLWAHQ-NWDGAFQWSA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001418007896 906134466 /nfs/dbraw/zinc/13/44/66/906134466.db2.gz BXGZWFFUCJGOAQ-JQWIXIFHSA-N 2 0 282.388 -0.702 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001418052656 906152450 /nfs/dbraw/zinc/15/24/50/906152450.db2.gz ZNVNVIKSIBZTIP-QWRGUYRKSA-N 2 0 270.377 -0.609 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001418061769 906154593 /nfs/dbraw/zinc/15/45/93/906154593.db2.gz DCBWPXMKEDKTAZ-IJLUTSLNSA-N 2 0 284.404 -0.301 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001418058126 906155758 /nfs/dbraw/zinc/15/57/58/906155758.db2.gz MOHROVVGSWSLNX-FPYNETTCSA-N 2 0 296.415 -0.302 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001418103347 906170160 /nfs/dbraw/zinc/17/01/60/906170160.db2.gz OQCXGLSPDVBIBT-MXWKQRLJSA-N 2 0 282.388 -0.561 20 0 CBADRP CCN1CC[C@H]([NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001418269912 906247486 /nfs/dbraw/zinc/24/74/86/906247486.db2.gz SWEIDAPROGBMNB-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001418296905 906270545 /nfs/dbraw/zinc/27/05/45/906270545.db2.gz CHTPHZGXSNRAGC-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H]([NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001418319791 906279511 /nfs/dbraw/zinc/27/95/11/906279511.db2.gz TWQRUTNRAKHIRI-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001418345803 906291413 /nfs/dbraw/zinc/29/14/13/906291413.db2.gz CWZWEANHMVAXRT-WCQYABFASA-N 2 0 284.404 -0.504 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001418352046 906296153 /nfs/dbraw/zinc/29/61/53/906296153.db2.gz GVTISDKOVSEWID-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001418356906 906297085 /nfs/dbraw/zinc/29/70/85/906297085.db2.gz NHRMPNUBNKOMPG-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)N(C)C ZINC001418426203 906315449 /nfs/dbraw/zinc/31/54/49/906315449.db2.gz CQZUNTINMRSOGR-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001418432250 906321447 /nfs/dbraw/zinc/32/14/47/906321447.db2.gz HZHGAFHSNQORND-WDEREUQCSA-N 2 0 270.377 -0.832 20 0 CBADRP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C[C@@H](O)COC ZINC001418570282 906413914 /nfs/dbraw/zinc/41/39/14/906413914.db2.gz JIPPUVCDGYWUNY-CYBMUJFWSA-N 2 0 299.415 -0.472 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001418647588 906437004 /nfs/dbraw/zinc/43/70/04/906437004.db2.gz PVLJKOZFRGGQKT-HZSPNIEDSA-N 2 0 299.415 -0.426 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001418646688 906437674 /nfs/dbraw/zinc/43/76/74/906437674.db2.gz MATFBGWYRMOCCN-FQUUOJAGSA-N 2 0 299.415 -0.570 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001418670607 906443776 /nfs/dbraw/zinc/44/37/76/906443776.db2.gz HAMKWKWIKSMPHY-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001418692124 906450799 /nfs/dbraw/zinc/45/07/99/906450799.db2.gz RNCDNGRZMSAGOT-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H](C)C(N)=O ZINC001418728031 906457831 /nfs/dbraw/zinc/45/78/31/906457831.db2.gz CKHPTIGQPFPFAV-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001418821803 906490809 /nfs/dbraw/zinc/49/08/09/906490809.db2.gz MAUJPKFBIKCNCE-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001418836234 906495486 /nfs/dbraw/zinc/49/54/86/906495486.db2.gz YHLTXGKCENAMAZ-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC(=O)NC ZINC001418854670 906500075 /nfs/dbraw/zinc/50/00/75/906500075.db2.gz XJGLVBNUFGKJKK-BETUJISGSA-N 2 0 296.415 -0.251 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001418942657 906523857 /nfs/dbraw/zinc/52/38/57/906523857.db2.gz VUGJSVXMRLKYIP-LBPRGKRZSA-N 2 0 296.415 -0.406 20 0 CBADRP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@H](C)C(N)=O ZINC001419224724 906641633 /nfs/dbraw/zinc/64/16/33/906641633.db2.gz RVRHVCJZEIZETB-PWSUYJOCSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC(N)=O ZINC001419223450 906641944 /nfs/dbraw/zinc/64/19/44/906641944.db2.gz QETUMDOQTATOBX-SRVKXCTJSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001419315271 906661062 /nfs/dbraw/zinc/66/10/62/906661062.db2.gz AKQKONQKDQFKOU-WCQYABFASA-N 2 0 298.431 -0.055 20 0 CBADRP C[NH+](C)CC1(C(=O)NC2(C[NH2+]CC(N)=O)CCCC2)CC1 ZINC001419314801 906661401 /nfs/dbraw/zinc/66/14/01/906661401.db2.gz MNVVCNQSCKCSQL-UHFFFAOYSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@@H]([NH2+]C[C@](C)(NC(=O)CC[NH+](C)C)C1CC1)C(N)=O ZINC001419355520 906669153 /nfs/dbraw/zinc/66/91/53/906669153.db2.gz SXRGOTWNYOQXKH-YGRLFVJLSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001419412183 906683189 /nfs/dbraw/zinc/68/31/89/906683189.db2.gz JQIFXXMFYXUROK-FDYHWXHSSA-N 2 0 296.415 -0.301 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001419426844 906685123 /nfs/dbraw/zinc/68/51/23/906685123.db2.gz UHTQMWGTPIWCHE-GFCCVEGCSA-N 2 0 294.399 -0.591 20 0 CBADRP CCn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001419491062 906704265 /nfs/dbraw/zinc/70/42/65/906704265.db2.gz NRORHJUAMVFOBN-TXEJJXNPSA-N 2 0 294.403 -0.014 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001419504217 906709683 /nfs/dbraw/zinc/70/96/83/906709683.db2.gz BUKJPBOCARLDRC-UTUOFQBUSA-N 2 0 282.388 -0.737 20 0 CBADRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+][C@@H](C)C(N)=O ZINC001419521334 906711657 /nfs/dbraw/zinc/71/16/57/906711657.db2.gz YRXKHPWEZWKFJA-RYUDHWBXSA-N 2 0 298.431 -0.066 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001419517199 906712864 /nfs/dbraw/zinc/71/28/64/906712864.db2.gz ZJQIAPOZJUHDMU-PHIMTYICSA-N 2 0 280.372 -0.935 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]CC(=O)N1CCCC1 ZINC001419520971 906713305 /nfs/dbraw/zinc/71/33/05/906713305.db2.gz PBOIBHDJZXWUBF-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001419529085 906717890 /nfs/dbraw/zinc/71/78/90/906717890.db2.gz PAOJVKDUHRSNJQ-QWHCGFSZSA-N 2 0 299.415 -0.569 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001419538276 906718347 /nfs/dbraw/zinc/71/83/47/906718347.db2.gz FPFORSKQNGXTHZ-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001419703631 906774401 /nfs/dbraw/zinc/77/44/01/906774401.db2.gz NQNRHEUCEVZLBC-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C ZINC001419838499 906833746 /nfs/dbraw/zinc/83/37/46/906833746.db2.gz ONTLWPJGQUXGCL-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001419732414 906791344 /nfs/dbraw/zinc/79/13/44/906791344.db2.gz GFFLZLGHJSVCSZ-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)N(C)C(=O)C[NH+]1CCCC1 ZINC001419748608 906801799 /nfs/dbraw/zinc/80/17/99/906801799.db2.gz QSLRMBNMAXBVBG-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001419766020 906807943 /nfs/dbraw/zinc/80/79/43/906807943.db2.gz MQWDPUZCDUKARN-QWRGUYRKSA-N 2 0 272.393 -0.363 20 0 CBADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@H]1CCCNC1=O ZINC001419778413 906810163 /nfs/dbraw/zinc/81/01/63/906810163.db2.gz PXRQAOKKQIPSBR-YPMHNXCESA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H]1CCNC1=O ZINC001419780602 906812089 /nfs/dbraw/zinc/81/20/89/906812089.db2.gz VJEHFFKCFBFZJY-QWRGUYRKSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@H]1CCCNC1=O ZINC001419778402 906812516 /nfs/dbraw/zinc/81/25/16/906812516.db2.gz PXRQAOKKQIPSBR-AAEUAGOBSA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001419799674 906816366 /nfs/dbraw/zinc/81/63/66/906816366.db2.gz RZRGOFZQHNVHCA-OLZOCXBDSA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CC(N)=O ZINC001419875158 906847666 /nfs/dbraw/zinc/84/76/66/906847666.db2.gz JUIGQUXTNBAGKQ-LLVKDONJSA-N 2 0 292.383 -0.059 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC1CC1)[NH+](C)C ZINC001419894309 906849334 /nfs/dbraw/zinc/84/93/34/906849334.db2.gz HZMYELSQMAULSU-JQWIXIFHSA-N 2 0 284.404 -0.301 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001419891712 906851821 /nfs/dbraw/zinc/85/18/21/906851821.db2.gz CNCWJDXDLWVVHP-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001419917680 906860166 /nfs/dbraw/zinc/86/01/66/906860166.db2.gz GKUIXWBQMUVCPN-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NC ZINC001419928670 906860320 /nfs/dbraw/zinc/86/03/20/906860320.db2.gz AGAXGJBNXYMRFV-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001420011008 906893483 /nfs/dbraw/zinc/89/34/83/906893483.db2.gz YEMRFGMBBXATJC-GFCCVEGCSA-N 2 0 294.399 -0.462 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001420005471 906894636 /nfs/dbraw/zinc/89/46/36/906894636.db2.gz GQCRRDVADIUDFP-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001420136505 906966546 /nfs/dbraw/zinc/96/65/46/906966546.db2.gz AIXYMALRRQDARU-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001420169102 906984983 /nfs/dbraw/zinc/98/49/83/906984983.db2.gz JCUUBTVSBBVFIU-CHWSQXEVSA-N 2 0 295.387 -0.919 20 0 CBADRP Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001420194741 907006769 /nfs/dbraw/zinc/00/67/69/907006769.db2.gz WJVPNPSMEBSFMG-GFCCVEGCSA-N 2 0 295.387 -0.917 20 0 CBADRP C[C@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001420219335 907028776 /nfs/dbraw/zinc/02/87/76/907028776.db2.gz DLPWFGYMASLYKQ-NEPJUHHUSA-N 2 0 296.415 -0.027 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+][C@H]1CCNC1=O ZINC001420246394 907043775 /nfs/dbraw/zinc/04/37/75/907043775.db2.gz OUSIXFAJKHNCQX-NEPJUHHUSA-N 2 0 284.404 -0.301 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001420270072 907059352 /nfs/dbraw/zinc/05/93/52/907059352.db2.gz BGCBNDBZECTSHE-VXGBXAGGSA-N 2 0 284.404 -0.301 20 0 CBADRP CC[C@@H](C(=O)NCC[N@H+](C)CCN1CCNC1=O)[NH+](C)C ZINC001420302759 907086327 /nfs/dbraw/zinc/08/63/27/907086327.db2.gz ZQQQGDLXLIRRAS-LBPRGKRZSA-N 2 0 299.419 -0.600 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001420343398 907115464 /nfs/dbraw/zinc/11/54/64/907115464.db2.gz ZGNYKXKSBBFAKP-GFCCVEGCSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001420360167 907122474 /nfs/dbraw/zinc/12/24/74/907122474.db2.gz MFUDWVFWKLUQGK-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001420370123 907123170 /nfs/dbraw/zinc/12/31/70/907123170.db2.gz DVGKYWBRJBWPME-NEPJUHHUSA-N 2 0 294.399 -0.545 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001420424044 907153394 /nfs/dbraw/zinc/15/33/94/907153394.db2.gz OSXWTMFSQHWNDS-RYUDHWBXSA-N 2 0 284.404 -0.301 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001420428520 907153775 /nfs/dbraw/zinc/15/37/75/907153775.db2.gz UYSJIYSIXXUYKU-JQWIXIFHSA-N 2 0 272.393 -0.587 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001420433355 907160823 /nfs/dbraw/zinc/16/08/23/907160823.db2.gz JUABXGDQHTUPSB-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001420433133 907162162 /nfs/dbraw/zinc/16/21/62/907162162.db2.gz CRFPFJIIZZTQNG-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001420445478 907163575 /nfs/dbraw/zinc/16/35/75/907163575.db2.gz QYRXHZXGXARBNV-STQMWFEESA-N 2 0 299.415 -0.284 20 0 CBADRP CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001420461259 907176182 /nfs/dbraw/zinc/17/61/82/907176182.db2.gz AZBJCMPOXWTQQY-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001420562937 907215408 /nfs/dbraw/zinc/21/54/08/907215408.db2.gz IRBIRLXZIALESI-QWHCGFSZSA-N 2 0 296.415 -0.488 20 0 CBADRP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001420730919 907283927 /nfs/dbraw/zinc/28/39/27/907283927.db2.gz XIWLFOPATBDNLW-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+][C@H]1CCCNC1=O)[NH+](C)C ZINC001420731193 907284836 /nfs/dbraw/zinc/28/48/36/907284836.db2.gz BXOYWAHXEJGMDE-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+][C@H]1CCN(C)C1=O ZINC001420738038 907287393 /nfs/dbraw/zinc/28/73/93/907287393.db2.gz CTFMNTGCJOIVLV-LBPRGKRZSA-N 2 0 284.404 -0.395 20 0 CBADRP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001420744548 907288689 /nfs/dbraw/zinc/28/86/89/907288689.db2.gz OZBGINKDVXOCMM-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CC(=O)N1CCC1)C1CC1 ZINC001420765666 907299341 /nfs/dbraw/zinc/29/93/41/907299341.db2.gz ZWAMCUKUZXSAPO-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@H](C(=O)NCC1([NH2+]CCn2cncn2)CC1)[NH+](C)C ZINC001420953710 907370709 /nfs/dbraw/zinc/37/07/09/907370709.db2.gz LNAFNJFPGNJJKT-GFCCVEGCSA-N 2 0 294.403 -0.143 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)CCC[NH+](C)C)CC1)C(N)=O ZINC001420977527 907379731 /nfs/dbraw/zinc/37/97/31/907379731.db2.gz YZFCRVWTTKIHLJ-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H](C(=O)NCC1([NH2+]CC(N)=O)CC1)[NH+]1CCCCCC1 ZINC001420982390 907380260 /nfs/dbraw/zinc/38/02/60/907380260.db2.gz YNZJHWSJAVWWPW-LBPRGKRZSA-N 2 0 296.415 -0.025 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001420995143 907385529 /nfs/dbraw/zinc/38/55/29/907385529.db2.gz ODNCYMNRQSPAFF-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001421004178 907390275 /nfs/dbraw/zinc/39/02/75/907390275.db2.gz IJGMYPPYYASEMV-UHFFFAOYSA-N 2 0 296.415 -0.153 20 0 CBADRP CN1CC[C@H]([NH2+]C2(CNC(=O)C[NH+]3CCCC3)CC2)C1=O ZINC001421005207 907393617 /nfs/dbraw/zinc/39/36/17/907393617.db2.gz WCGJFCCNCKUKNI-LBPRGKRZSA-N 2 0 294.399 -0.449 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001421125686 907439157 /nfs/dbraw/zinc/43/91/57/907439157.db2.gz LJZFTDHPRSWRNN-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001421125687 907440416 /nfs/dbraw/zinc/44/04/16/907440416.db2.gz LJZFTDHPRSWRNN-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP COCC[NH+]1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001421167790 907452092 /nfs/dbraw/zinc/45/20/92/907452092.db2.gz LBDUGADYFHHJGT-UHFFFAOYSA-N 2 0 299.415 -0.208 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@](C)(C[NH2+][C@H]2CCNC2=O)C1 ZINC001421249028 907474927 /nfs/dbraw/zinc/47/49/27/907474927.db2.gz JYSJRUSTMBFDOB-WFASDCNBSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001421249082 907476561 /nfs/dbraw/zinc/47/65/61/907476561.db2.gz KBNNKVKSZNWRAH-FZMZJTMJSA-N 2 0 284.404 -0.360 20 0 CBADRP CC(C)[NH+](C)CC(=O)NC[C@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001421383770 907516934 /nfs/dbraw/zinc/51/69/34/907516934.db2.gz CSIYGLRZSDPOKZ-GXTWGEPZSA-N 2 0 287.404 -0.740 20 0 CBADRP COCC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001502086296 921336204 /nfs/dbraw/zinc/33/62/04/921336204.db2.gz BWFUTXYYIALNHC-ZDUSSCGKSA-N 2 0 297.399 -0.454 20 0 CBADRP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]CC(=O)N(C)C ZINC001421421523 907538710 /nfs/dbraw/zinc/53/87/10/907538710.db2.gz QCBXUWRHTAIWNR-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N1CCC1 ZINC001421443735 907548341 /nfs/dbraw/zinc/54/83/41/907548341.db2.gz RLTXXCQWAGRJPT-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(C)C ZINC001421488714 907569931 /nfs/dbraw/zinc/56/99/31/907569931.db2.gz INLUGEGNBPTXBD-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001421517530 907571265 /nfs/dbraw/zinc/57/12/65/907571265.db2.gz AMTZHGFMZINESS-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001421517526 907573196 /nfs/dbraw/zinc/57/31/96/907573196.db2.gz AMTZHGFMZINESS-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CC(N)=O)C2 ZINC001421515345 907573550 /nfs/dbraw/zinc/57/35/50/907573550.db2.gz KPTKQZUXMURQBK-XQQFMLRXSA-N 2 0 296.415 -0.217 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001421559517 907579731 /nfs/dbraw/zinc/57/97/31/907579731.db2.gz KRIXJJNTZFWDKM-IAQYHMDHSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001421659550 907604808 /nfs/dbraw/zinc/60/48/08/907604808.db2.gz SLPYUARCSZHKME-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1cnnn1C ZINC001421673290 907606242 /nfs/dbraw/zinc/60/62/42/907606242.db2.gz GQDOWGFIZDMAGL-AAEUAGOBSA-N 2 0 294.403 -0.249 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001421751042 907632329 /nfs/dbraw/zinc/63/23/29/907632329.db2.gz SYLZUPSOQGLYTL-GFCCVEGCSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+](C)C)C[NH2+][C@H]1CCNC1=O ZINC001421749091 907632495 /nfs/dbraw/zinc/63/24/95/907632495.db2.gz VBTTWVGMBMWOIV-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1cnnn1C ZINC001421764192 907636121 /nfs/dbraw/zinc/63/61/21/907636121.db2.gz CZXURGVPPRIHEQ-NWDGAFQWSA-N 2 0 294.403 -0.391 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001421798585 907647776 /nfs/dbraw/zinc/64/77/76/907647776.db2.gz DYRGIFHBORXDBO-OLZOCXBDSA-N 2 0 299.415 -0.474 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC001421829522 907658072 /nfs/dbraw/zinc/65/80/72/907658072.db2.gz MMUCQWDKFKGEBA-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001421979951 907694383 /nfs/dbraw/zinc/69/43/83/907694383.db2.gz HUSDLSNKUJAHRM-LBPRGKRZSA-N 2 0 286.420 -0.101 20 0 CBADRP C[N@H+](CC(=O)N1CCC[C@@](CO)([NH2+]CCO)C1)C1CCC1 ZINC001421974452 907696117 /nfs/dbraw/zinc/69/61/17/907696117.db2.gz STUASSAPPXMSRW-OAHLLOKOSA-N 2 0 299.415 -0.594 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001421989647 907698144 /nfs/dbraw/zinc/69/81/44/907698144.db2.gz MESHZSYHLMAUSJ-MNOVXSKESA-N 2 0 270.377 -0.879 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001421992754 907698257 /nfs/dbraw/zinc/69/82/57/907698257.db2.gz PRUFCXUCQJOOBD-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001421985210 907699666 /nfs/dbraw/zinc/69/96/66/907699666.db2.gz DYIRPZGKMVJWIA-GHMZBOCLSA-N 2 0 270.377 -0.750 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001422029817 907701167 /nfs/dbraw/zinc/70/11/67/907701167.db2.gz MJVHITCFRUOAQF-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422019752 907701374 /nfs/dbraw/zinc/70/13/74/907701374.db2.gz QRYXWTDIEPSFBU-NEPJUHHUSA-N 2 0 284.404 -0.456 20 0 CBADRP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nncn1C ZINC001422119732 907719719 /nfs/dbraw/zinc/71/97/19/907719719.db2.gz NUKOWEMLLGLKET-LBPRGKRZSA-N 2 0 296.419 -0.003 20 0 CBADRP CC(C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@H](C)C(N)=O ZINC001422135776 907725659 /nfs/dbraw/zinc/72/56/59/907725659.db2.gz NLVPYXFXVFFPFJ-VXGBXAGGSA-N 2 0 286.420 -0.069 20 0 CBADRP CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001422159552 907731967 /nfs/dbraw/zinc/73/19/67/907731967.db2.gz FVHNEHDUHAIXNH-DCAQKATOSA-N 2 0 272.393 -0.315 20 0 CBADRP CNC(=O)C[N@H+](C)CCCN(C)C(=O)Cc1cnc[nH]1 ZINC001502379228 921349932 /nfs/dbraw/zinc/34/99/32/921349932.db2.gz YJNMQHYVFRRDLN-UHFFFAOYSA-N 2 0 281.360 -0.522 20 0 CBADRP Cc1oncc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001422261445 907761989 /nfs/dbraw/zinc/76/19/89/907761989.db2.gz BMTIEOWIFIAXGJ-OLZOCXBDSA-N 2 0 296.371 -0.356 20 0 CBADRP COC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001422345079 907813136 /nfs/dbraw/zinc/81/31/36/907813136.db2.gz IVWZHLYEONPDQF-WCQYABFASA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)[C@H](C)[NH2+]CCO ZINC001422396733 907838657 /nfs/dbraw/zinc/83/86/57/907838657.db2.gz NTHFJZSJQZPKFP-RYUDHWBXSA-N 2 0 297.403 -0.467 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C ZINC001422415848 907847839 /nfs/dbraw/zinc/84/78/39/907847839.db2.gz CQBUQXHXVBMQTO-WDEREUQCSA-N 2 0 272.393 -0.443 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1nccn1C ZINC001422422537 907852274 /nfs/dbraw/zinc/85/22/74/907852274.db2.gz QGIREYLJFMCMDC-LBPRGKRZSA-N 2 0 297.403 -0.673 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1nccn1C ZINC001422422534 907853893 /nfs/dbraw/zinc/85/38/93/907853893.db2.gz QGIREYLJFMCMDC-GFCCVEGCSA-N 2 0 297.403 -0.673 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001422473358 907878557 /nfs/dbraw/zinc/87/85/57/907878557.db2.gz YLESDNXQLHITKI-PWSUYJOCSA-N 2 0 282.388 -0.547 20 0 CBADRP CCC1([NH2+]CC(N)=O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001502483175 921360676 /nfs/dbraw/zinc/36/06/76/921360676.db2.gz QIOFHGOQGWMWPT-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)[N@H+](C)CCO ZINC001422503846 907899356 /nfs/dbraw/zinc/89/93/56/907899356.db2.gz BFRMUVJKJXNJCB-LBPRGKRZSA-N 2 0 297.403 -0.513 20 0 CBADRP CC[C@H]([NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001422555140 907918296 /nfs/dbraw/zinc/91/82/96/907918296.db2.gz WXNHAOUWLLFTTO-PWSUYJOCSA-N 2 0 284.404 -0.314 20 0 CBADRP CCN1CC[C@H]([N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001422574778 907932948 /nfs/dbraw/zinc/93/29/48/907932948.db2.gz ZKPDWCLRPUAJDA-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CCn1cncn1 ZINC001422593299 907935546 /nfs/dbraw/zinc/93/55/46/907935546.db2.gz CACKDVIFPJJHJD-ZDUSSCGKSA-N 2 0 294.403 -0.190 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](C)[N@H+](C)CCO ZINC001422603941 907941850 /nfs/dbraw/zinc/94/18/50/907941850.db2.gz QRAHBHXOSZVZNP-CHWSQXEVSA-N 2 0 287.404 -0.617 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCCN(C)C1=O)NC(=O)C[NH+]1CCCC1 ZINC001422618201 907946203 /nfs/dbraw/zinc/94/62/03/907946203.db2.gz VSSIMGAOYSRUAV-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](C[NH2+]C[C@@H]1CCc2ncnn21)NC(=O)CC[NH+](C)C ZINC001422697142 907975815 /nfs/dbraw/zinc/97/58/15/907975815.db2.gz RQKPCKHDQFCLLA-RYUDHWBXSA-N 2 0 294.403 -0.189 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001422698187 907976452 /nfs/dbraw/zinc/97/64/52/907976452.db2.gz GJLQCXFVSVPFHV-CMPLNLGQSA-N 2 0 280.376 -0.496 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001422699154 907977019 /nfs/dbraw/zinc/97/70/19/907977019.db2.gz ZPSBULUDULEPQH-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001422906182 908052482 /nfs/dbraw/zinc/05/24/82/908052482.db2.gz MNDULGAGVQMDSU-AVGNSLFASA-N 2 0 296.415 -0.489 20 0 CBADRP C[N@H+](CC(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1)C1CCC1 ZINC001422995181 908075430 /nfs/dbraw/zinc/07/54/30/908075430.db2.gz BFMWVPJWFFWINU-LBPRGKRZSA-N 2 0 282.388 -0.560 20 0 CBADRP CC[C@H](C(=O)N(C)[C@@H](C[NH2+]CC(=O)NC)C1CC1)[NH+](C)C ZINC001423010806 908075519 /nfs/dbraw/zinc/07/55/19/908075519.db2.gz WJRIQJUDVBRCPG-OLZOCXBDSA-N 2 0 298.431 -0.101 20 0 CBADRP C[N@H+](CC(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1)C1CCC1 ZINC001422995175 908075634 /nfs/dbraw/zinc/07/56/34/908075634.db2.gz BFMWVPJWFFWINU-GFCCVEGCSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H]([NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1)C(N)=O ZINC001422997164 908075908 /nfs/dbraw/zinc/07/59/08/908075908.db2.gz CFCGMPQCNJHOPO-CMPLNLGQSA-N 2 0 296.415 -0.171 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001423039962 908085157 /nfs/dbraw/zinc/08/51/57/908085157.db2.gz GXJWDXCSKRTQHL-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCN1CCCC1=O ZINC001423108150 908110337 /nfs/dbraw/zinc/11/03/37/908110337.db2.gz RRJWAAISEKLGEG-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O ZINC001423169020 908125327 /nfs/dbraw/zinc/12/53/27/908125327.db2.gz HBSOAZYSPSPOTF-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccnn1C)[NH+](C)C ZINC001423267347 908183964 /nfs/dbraw/zinc/18/39/64/908183964.db2.gz SSDVUYYZJXMZPZ-YPMHNXCESA-N 2 0 297.403 -0.673 20 0 CBADRP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001423302368 908195971 /nfs/dbraw/zinc/19/59/71/908195971.db2.gz KTNWRGCULUOIFF-QWHCGFSZSA-N 2 0 299.415 -0.426 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC2CCOCC2)C1 ZINC001423307704 908198371 /nfs/dbraw/zinc/19/83/71/908198371.db2.gz QTZGONKBPYIOIH-KBPBESRZSA-N 2 0 299.415 -0.569 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC001423409684 908221425 /nfs/dbraw/zinc/22/14/25/908221425.db2.gz YEXLZAJLJDWDTK-LLVKDONJSA-N 2 0 284.404 -0.362 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001423409175 908222896 /nfs/dbraw/zinc/22/28/96/908222896.db2.gz LHUUIOMVVYGEHV-RYUDHWBXSA-N 2 0 296.415 -0.312 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CCCC1 ZINC001423515688 908264837 /nfs/dbraw/zinc/26/48/37/908264837.db2.gz OJECZWHCTXGJDN-QWHCGFSZSA-N 2 0 296.415 -0.170 20 0 CBADRP COCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@H](C)O ZINC001423641225 908300051 /nfs/dbraw/zinc/30/00/51/908300051.db2.gz LAWQJEKCFMELJD-STQMWFEESA-N 2 0 287.404 -0.617 20 0 CBADRP CCC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC001423682518 908305064 /nfs/dbraw/zinc/30/50/64/908305064.db2.gz NKOGFILNDKDUGJ-UHFFFAOYSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001423763341 908324232 /nfs/dbraw/zinc/32/42/32/908324232.db2.gz MOOOBFRVFASWJE-ZFWWWQNUSA-N 2 0 281.400 -0.099 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001423943605 908371327 /nfs/dbraw/zinc/37/13/27/908371327.db2.gz CWZGXHYVXUOGGB-OLZOCXBDSA-N 2 0 298.431 -0.242 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)CCC[NH+](C)[C@H]1CCNC1=O ZINC001424330035 908443312 /nfs/dbraw/zinc/44/33/12/908443312.db2.gz HHOQOXCXBGGSMY-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001424492011 908463105 /nfs/dbraw/zinc/46/31/05/908463105.db2.gz UMHIVWDNADBXQP-OLZOCXBDSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)[NH2+]CC(N)=O ZINC001424815207 908507801 /nfs/dbraw/zinc/50/78/01/908507801.db2.gz DXAZJZYJDVJNRP-WDEREUQCSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H]([NH2+]CC(=O)NC1CC1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001424839530 908515673 /nfs/dbraw/zinc/51/56/73/908515673.db2.gz JJDQRTVEIJNTHE-NEPJUHHUSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CCN1CCCC1=O ZINC001425003873 908548285 /nfs/dbraw/zinc/54/82/85/908548285.db2.gz CAUKNWSRVJFFEP-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@H]1CCNC1=O ZINC001425009428 908553404 /nfs/dbraw/zinc/55/34/04/908553404.db2.gz JZXCSWIPCZCALF-MNOVXSKESA-N 2 0 270.377 -0.737 20 0 CBADRP COC[C@H](O)C[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001425056155 908563349 /nfs/dbraw/zinc/56/33/49/908563349.db2.gz LJVYHACRPJJPLZ-QWHCGFSZSA-N 2 0 299.415 -0.474 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001425422379 908643966 /nfs/dbraw/zinc/64/39/66/908643966.db2.gz ZXSFJVYXZBMSDY-HAQNSBGRSA-N 2 0 284.404 -0.441 20 0 CBADRP CN(C(=O)CC[NH+](C)C)[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001425493945 908657592 /nfs/dbraw/zinc/65/75/92/908657592.db2.gz MPBPERDZGHPINV-OLZOCXBDSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001425629427 908683519 /nfs/dbraw/zinc/68/35/19/908683519.db2.gz VXRMXFMQIAMBPT-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)C(=O)NC ZINC001425665168 908687696 /nfs/dbraw/zinc/68/76/96/908687696.db2.gz TUNZLJHCKSHAAT-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001425678049 908689282 /nfs/dbraw/zinc/68/92/82/908689282.db2.gz CWJCBGMSHVHZTI-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001425809409 908749159 /nfs/dbraw/zinc/74/91/59/908749159.db2.gz QFVVFPUJYJRBSX-NEPJUHHUSA-N 2 0 273.377 -0.959 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001425917566 908782397 /nfs/dbraw/zinc/78/23/97/908782397.db2.gz ONPLISFYZCBUSY-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001425917564 908783492 /nfs/dbraw/zinc/78/34/92/908783492.db2.gz ONPLISFYZCBUSY-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@@H]1CN(CCO)CCN1C(=O)NC1CC[NH+](C)CC1 ZINC001426474200 908872691 /nfs/dbraw/zinc/87/26/91/908872691.db2.gz MDENRMDOUHKLNK-GFCCVEGCSA-N 2 0 284.404 -0.211 20 0 CBADRP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]CC(N)=O ZINC001505683256 921466829 /nfs/dbraw/zinc/46/68/29/921466829.db2.gz YTZINRDHBYDTKL-UWVGGRQHSA-N 2 0 270.377 -0.704 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)NC ZINC001505725289 921472435 /nfs/dbraw/zinc/47/24/35/921472435.db2.gz RNTOWMALQHFJHH-QWRGUYRKSA-N 2 0 272.393 -0.443 20 0 CBADRP CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)CC[NH+](C)C ZINC001429580637 909262449 /nfs/dbraw/zinc/26/24/49/909262449.db2.gz PQTCDOAEXIVQCL-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP CC[NH+](CC)CC(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001430198720 909309907 /nfs/dbraw/zinc/30/99/07/909309907.db2.gz UHRVXXGIALBLTP-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001430206820 909310629 /nfs/dbraw/zinc/31/06/29/909310629.db2.gz DYCTXHDTWUUKTH-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001430774679 909388247 /nfs/dbraw/zinc/38/82/47/909388247.db2.gz DCWXBNMRFVDRNG-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)CCC[NH+](C)C ZINC001431418800 909456618 /nfs/dbraw/zinc/45/66/18/909456618.db2.gz WWTIIMFQAPWLTG-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@H+](C)CCO ZINC001505920457 921501456 /nfs/dbraw/zinc/50/14/56/921501456.db2.gz NAKHRJYNJICUCS-WCQYABFASA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@H+](C)CCO ZINC001505920458 921502481 /nfs/dbraw/zinc/50/24/81/921502481.db2.gz NAKHRJYNJICUCS-YPMHNXCESA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001431867362 909547148 /nfs/dbraw/zinc/54/71/48/909547148.db2.gz JSRUGJFFWZAVFT-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)[C@@H]1CCNC1=O ZINC001505936247 921506762 /nfs/dbraw/zinc/50/67/62/921506762.db2.gz XRMSBMFVGPAVHY-NWDGAFQWSA-N 2 0 296.415 -0.204 20 0 CBADRP CCC[N@H+](C)CCC(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001432304755 909603599 /nfs/dbraw/zinc/60/35/99/909603599.db2.gz UUBOFBWRASRMBE-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)[C@H]1CCN(C)C1=O ZINC001505991396 921520305 /nfs/dbraw/zinc/52/03/05/921520305.db2.gz RRFBOZJAFMYPIP-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CN(C(=O)CC[NH+](C)C)C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001434104670 910005195 /nfs/dbraw/zinc/00/51/95/910005195.db2.gz SHSJYEMKNBEACJ-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001436398064 910438597 /nfs/dbraw/zinc/43/85/97/910438597.db2.gz UDFIRFWAKBPLML-JHJVBQTASA-N 2 0 296.415 -0.441 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001436838297 910492777 /nfs/dbraw/zinc/49/27/77/910492777.db2.gz UAQSBERQELQEBF-DGCLKSJQSA-N 2 0 284.404 -0.458 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001436825282 910492827 /nfs/dbraw/zinc/49/28/27/910492827.db2.gz HHANCZUJKPUTQZ-YPMHNXCESA-N 2 0 296.415 -0.441 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001436922694 910508627 /nfs/dbraw/zinc/50/86/27/910508627.db2.gz CQUWPGVKDIZOHG-IJLUTSLNSA-N 2 0 284.404 -0.301 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001436926271 910510120 /nfs/dbraw/zinc/51/01/20/910510120.db2.gz CKAALDMGQPGIOX-AVGNSLFASA-N 2 0 285.388 -0.674 20 0 CBADRP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001437198390 910582225 /nfs/dbraw/zinc/58/22/25/910582225.db2.gz BNOXRYFTDUEKFX-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)N(C)C ZINC001437198743 910583909 /nfs/dbraw/zinc/58/39/09/910583909.db2.gz JAFVKBASQYOXPF-NSHDSACASA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@H]1CCNC1=O ZINC001437217338 910587540 /nfs/dbraw/zinc/58/75/40/910587540.db2.gz UERHQUMQASROKZ-YPMHNXCESA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H]1CCNC1=O ZINC001437245340 910596132 /nfs/dbraw/zinc/59/61/32/910596132.db2.gz ZUZBBPPUDYVSKH-QWRGUYRKSA-N 2 0 280.372 -0.935 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCS(C)(=O)=O ZINC001437260463 910603571 /nfs/dbraw/zinc/60/35/71/910603571.db2.gz LOSCPEWQQKRLRB-MNOVXSKESA-N 2 0 291.417 -0.923 20 0 CBADRP C[NH+]1CCC(CC(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001437308723 910609606 /nfs/dbraw/zinc/60/96/06/910609606.db2.gz GIOGGYKMNXPJLZ-CYBMUJFWSA-N 2 0 296.415 -0.358 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001437299065 910610999 /nfs/dbraw/zinc/61/09/99/910610999.db2.gz DXFAXDPWNZTEON-CHWSQXEVSA-N 2 0 296.415 -0.217 20 0 CBADRP NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001437322384 910612311 /nfs/dbraw/zinc/61/23/11/910612311.db2.gz GIHXRSHQUHBXAW-ZDUSSCGKSA-N 2 0 296.415 -0.214 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001437326137 910612755 /nfs/dbraw/zinc/61/27/55/910612755.db2.gz NEOCPTGTNFVDFS-CHWSQXEVSA-N 2 0 296.415 -0.536 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001437312966 910613432 /nfs/dbraw/zinc/61/34/32/910613432.db2.gz JHUBISXLNYTFAE-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001437322183 910615588 /nfs/dbraw/zinc/61/55/88/910615588.db2.gz DZOPSJSVLUZCHS-CYBMUJFWSA-N 2 0 296.415 -0.214 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001437728799 910732461 /nfs/dbraw/zinc/73/24/61/910732461.db2.gz YYCNCKDOYWNLKC-NSHDSACASA-N 2 0 270.377 -0.748 20 0 CBADRP C[NH+]1CCC(OCC(=O)NC[C@H]2CC[N@H+](CCO)C2)CC1 ZINC001437725149 910734300 /nfs/dbraw/zinc/73/43/00/910734300.db2.gz OLLLAKCCRNCVFK-CYBMUJFWSA-N 2 0 299.415 -0.472 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001437852811 910770264 /nfs/dbraw/zinc/77/02/64/910770264.db2.gz XIEOEQBUFGHXKP-OLZOCXBDSA-N 2 0 298.431 -0.149 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](CCn2cncn2)C1 ZINC001438156301 910833155 /nfs/dbraw/zinc/83/31/55/910833155.db2.gz GTANIWXDAAPYQL-UHFFFAOYSA-N 2 0 294.403 -0.334 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001438381259 910887040 /nfs/dbraw/zinc/88/70/40/910887040.db2.gz WPHQUYFRSNXGCL-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]CC(N)=O ZINC001438503341 910909330 /nfs/dbraw/zinc/90/93/30/910909330.db2.gz KPYVFIMFXLKQEN-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001438527501 910912312 /nfs/dbraw/zinc/91/23/12/910912312.db2.gz GHMLPCYEZHELQI-NEPJUHHUSA-N 2 0 284.404 -0.584 20 0 CBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+][C@H](C)C(N)=O ZINC001438520004 910914130 /nfs/dbraw/zinc/91/41/30/910914130.db2.gz LLQBKPXFQOSERK-WDEREUQCSA-N 2 0 284.404 -0.456 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001438527509 910914201 /nfs/dbraw/zinc/91/42/01/910914201.db2.gz GHMLPCYEZHELQI-VXGBXAGGSA-N 2 0 284.404 -0.584 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001438545774 910918228 /nfs/dbraw/zinc/91/82/28/910918228.db2.gz QWGRXTZDOJMJDG-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]CC(N)=O)CCCC2)C1 ZINC001438608069 910927178 /nfs/dbraw/zinc/92/71/78/910927178.db2.gz RKANYRRDDUXXQK-GFCCVEGCSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1)C(N)=O ZINC001438588101 910929786 /nfs/dbraw/zinc/92/97/86/910929786.db2.gz JEPDSQOIEIQEOD-RYUDHWBXSA-N 2 0 296.415 -0.027 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001438673572 910952148 /nfs/dbraw/zinc/95/21/48/910952148.db2.gz NBAUQRPXRNDJEI-LLVKDONJSA-N 2 0 284.404 -0.489 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC ZINC001438703808 910957397 /nfs/dbraw/zinc/95/73/97/910957397.db2.gz ANMHDZAFVXSLCC-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC ZINC001438703807 910959570 /nfs/dbraw/zinc/95/95/70/910959570.db2.gz ANMHDZAFVXSLCC-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP CN(CC[N@H+](C)CCn1cncn1)C(=O)CC[NH+](C)C ZINC001438902942 910988016 /nfs/dbraw/zinc/98/80/16/910988016.db2.gz CGQLZZBRHXWEBM-UHFFFAOYSA-N 2 0 282.392 -0.380 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001438965317 911020894 /nfs/dbraw/zinc/02/08/94/911020894.db2.gz PDKISOCIKZJUCS-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP Cc1oncc1C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001439027789 911061544 /nfs/dbraw/zinc/06/15/44/911061544.db2.gz SSGCAGMLDGOOKQ-GFCCVEGCSA-N 2 0 284.360 -0.499 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]Cc1cccnc1 ZINC001439040758 911070725 /nfs/dbraw/zinc/07/07/25/911070725.db2.gz FCYWIMYKKOIAQY-AWEZNQCLSA-N 2 0 292.383 -0.256 20 0 CBADRP Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C(C)C)o1 ZINC001439049784 911074019 /nfs/dbraw/zinc/07/40/19/911074019.db2.gz CNYVXHJXKPRHSB-GFCCVEGCSA-N 2 0 298.387 -0.110 20 0 CBADRP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C[NH+]2CCCC2)cn1 ZINC001439056074 911078437 /nfs/dbraw/zinc/07/84/37/911078437.db2.gz MRNHDOFZRPVREO-ZDUSSCGKSA-N 2 0 295.387 -0.917 20 0 CBADRP C[C@H](CC[NH2+][C@@H]1CCN(C)C1=O)NC(=O)C[NH+]1CCCC1 ZINC001439078277 911086373 /nfs/dbraw/zinc/08/63/73/911086373.db2.gz VGVUSYMPSRYKQU-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)C1([NH+](C)C)CCC1 ZINC001439121578 911108815 /nfs/dbraw/zinc/10/88/15/911108815.db2.gz YROMPOIEGMLBEJ-LLVKDONJSA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439141627 911114058 /nfs/dbraw/zinc/11/40/58/911114058.db2.gz BOCLLNRCQALULN-NXEZZACHSA-N 2 0 270.377 -0.704 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001439182964 911130511 /nfs/dbraw/zinc/13/05/11/911130511.db2.gz XCQXLYHNLBOLAA-NEPJUHHUSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1)C(N)=O ZINC001506896951 921636185 /nfs/dbraw/zinc/63/61/85/921636185.db2.gz DZOAOAGCHOGZEC-FDYHWXHSSA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001439223133 911148048 /nfs/dbraw/zinc/14/80/48/911148048.db2.gz QLSADQHGWJLBBB-JQWIXIFHSA-N 2 0 282.388 -0.547 20 0 CBADRP Cc1nccn1CC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001506906123 921637942 /nfs/dbraw/zinc/63/79/42/921637942.db2.gz PCIRRHQQNORIMX-XYPYZODXSA-N 2 0 279.344 -0.839 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439254392 911153824 /nfs/dbraw/zinc/15/38/24/911153824.db2.gz DBRYZVFWGRIWTN-WDEREUQCSA-N 2 0 284.404 -0.443 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001439257283 911154223 /nfs/dbraw/zinc/15/42/23/911154223.db2.gz YYUXKXNTISXRDE-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP CC(C)CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001439282897 911164280 /nfs/dbraw/zinc/16/42/80/911164280.db2.gz OVGGQJSAIZZPCN-STQMWFEESA-N 2 0 298.431 -0.195 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cnnn1C ZINC001439275038 911164928 /nfs/dbraw/zinc/16/49/28/911164928.db2.gz ODHFZJJYOQPQMH-NSHDSACASA-N 2 0 282.392 -0.249 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001506904156 921640229 /nfs/dbraw/zinc/64/02/29/921640229.db2.gz SVHOSZKHPORXQO-SRVKXCTJSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001506944388 921645003 /nfs/dbraw/zinc/64/50/03/921645003.db2.gz ACQMZAFGJWQAEO-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001439613628 911257595 /nfs/dbraw/zinc/25/75/95/911257595.db2.gz SKXDHXBDSVMXSL-LLVKDONJSA-N 2 0 282.388 -0.416 20 0 CBADRP C[C@@H](C(N)=O)[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001439804272 911294057 /nfs/dbraw/zinc/29/40/57/911294057.db2.gz LYQGKRLUJFJADP-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC[C@@](C)(C[NH2+]CC(N)=O)C2)CCC1 ZINC001439885805 911305231 /nfs/dbraw/zinc/30/52/31/911305231.db2.gz GLRXOUFTVPIYDQ-AWEZNQCLSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](CCOC)C1 ZINC001440024436 911350569 /nfs/dbraw/zinc/35/05/69/911350569.db2.gz RIXWZQOFNQDUOQ-AWEZNQCLSA-N 2 0 287.404 -0.472 20 0 CBADRP O=C(CCC[NH+]1CCCC1)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001440019953 911350832 /nfs/dbraw/zinc/35/08/32/911350832.db2.gz QIMWVIMBDQRXOG-HNNXBMFYSA-N 2 0 299.415 -0.592 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001440286477 911424945 /nfs/dbraw/zinc/42/49/45/911424945.db2.gz VEISWJQXXIEXOE-SCRDCRAPSA-N 2 0 298.431 -0.197 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCC1 ZINC001440329832 911427985 /nfs/dbraw/zinc/42/79/85/911427985.db2.gz BLPJZGGXTDWXQJ-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001440316137 911428094 /nfs/dbraw/zinc/42/80/94/911428094.db2.gz FWZZNZXTRBFZDF-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001440350081 911431957 /nfs/dbraw/zinc/43/19/57/911431957.db2.gz OWCOQKXBGSGRBM-SRVKXCTJSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001440373744 911440159 /nfs/dbraw/zinc/44/01/59/911440159.db2.gz MMYALXWTQXDISC-JOCQHMNTSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001440466593 911455817 /nfs/dbraw/zinc/45/58/17/911455817.db2.gz DHDQKPAZRHWZGZ-GFCCVEGCSA-N 2 0 296.415 -0.264 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001440586709 911475555 /nfs/dbraw/zinc/47/55/55/911475555.db2.gz FUOXQLPTXYRMKL-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP CNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001440613022 911480358 /nfs/dbraw/zinc/48/03/58/911480358.db2.gz JHPCXVYJDZYEAK-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCNC1=O ZINC001440679579 911489311 /nfs/dbraw/zinc/48/93/11/911489311.db2.gz HODCCTBCYWRDAD-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP CNC(=O)C[NH2+]CC1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001440767077 911509293 /nfs/dbraw/zinc/50/92/93/911509293.db2.gz YBCFVFRUDQDXTN-HIFPTAJRSA-N 2 0 296.415 -0.441 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001440863474 911532409 /nfs/dbraw/zinc/53/24/09/911532409.db2.gz WCXGZBFDYWQQKF-WDEREUQCSA-N 2 0 272.393 -0.445 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCN(CC(N)=O)C1 ZINC001441044301 911596703 /nfs/dbraw/zinc/59/67/03/911596703.db2.gz NXPRSMNRJHNMPP-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)C1C[NH+](CCO)C1 ZINC001441201338 911623478 /nfs/dbraw/zinc/62/34/78/911623478.db2.gz OVTRSPDRFKPJJU-STQMWFEESA-N 2 0 299.415 -0.617 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001441248381 911630259 /nfs/dbraw/zinc/63/02/59/911630259.db2.gz AURWNADTJBHWLN-OLZOCXBDSA-N 2 0 296.415 -0.489 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001441300163 911641304 /nfs/dbraw/zinc/64/13/04/911641304.db2.gz NPDPEVRQHJDYAI-NSHDSACASA-N 2 0 270.377 -0.704 20 0 CBADRP CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001441370169 911654641 /nfs/dbraw/zinc/65/46/41/911654641.db2.gz PNJILWBGOTZKAH-SRVKXCTJSA-N 2 0 284.404 -0.314 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001441414210 911665298 /nfs/dbraw/zinc/66/52/98/911665298.db2.gz HZOSGIITOJKLJG-HAQNSBGRSA-N 2 0 284.404 -0.299 20 0 CBADRP CN1CCC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001441425879 911665339 /nfs/dbraw/zinc/66/53/39/911665339.db2.gz WRKHXEXMRYZXIV-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001441435431 911669808 /nfs/dbraw/zinc/66/98/08/911669808.db2.gz GWHMUWYFLILHIH-WRWGMCAJSA-N 2 0 282.388 -0.691 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)[C@H](C[NH2+]CC(N)=O)C2CC2)CC[N@@H+]1C ZINC001441451799 911673540 /nfs/dbraw/zinc/67/35/40/911673540.db2.gz YUOJKJPHOWTOHN-RAIGVLPGSA-N 2 0 296.415 -0.362 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001441511153 911690101 /nfs/dbraw/zinc/69/01/01/911690101.db2.gz ZNXXODCURDBVDG-MXWKQRLJSA-N 2 0 270.377 -0.561 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001441516232 911691819 /nfs/dbraw/zinc/69/18/19/911691819.db2.gz BKRLBJLWKUQQHN-TXEJJXNPSA-N 2 0 294.403 -0.106 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC001441521029 911694031 /nfs/dbraw/zinc/69/40/31/911694031.db2.gz PKGJFYSUKNFWHA-TXEJJXNPSA-N 2 0 294.403 -0.106 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001441581794 911712589 /nfs/dbraw/zinc/71/25/89/911712589.db2.gz BVLMJFNVRVVOEE-RYUDHWBXSA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001441613225 911718221 /nfs/dbraw/zinc/71/82/21/911718221.db2.gz CUQSWRKDESYHEF-GFCCVEGCSA-N 2 0 284.404 -0.360 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001507126864 921686413 /nfs/dbraw/zinc/68/64/13/921686413.db2.gz OKKYEUATCINMCM-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001507117092 921681548 /nfs/dbraw/zinc/68/15/48/921681548.db2.gz GLKWDLLJCJJCNT-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](CO)[NH2+]CCF ZINC001441714366 911762709 /nfs/dbraw/zinc/76/27/09/911762709.db2.gz IHKJRXRILRSQGZ-NWDGAFQWSA-N 2 0 275.368 -0.103 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCN1CCCC1=O ZINC001441783753 911802260 /nfs/dbraw/zinc/80/22/60/911802260.db2.gz HMNIGZPGVMYTMF-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H](C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)OC ZINC001441784431 911803360 /nfs/dbraw/zinc/80/33/60/911803360.db2.gz IZDITMZEJIGXTR-QWHCGFSZSA-N 2 0 299.415 -0.426 20 0 CBADRP CC[C@H](C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2)OC ZINC001441784417 911804383 /nfs/dbraw/zinc/80/43/83/911804383.db2.gz IZDITMZEJIGXTR-CHWSQXEVSA-N 2 0 299.415 -0.426 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001441829366 911827607 /nfs/dbraw/zinc/82/76/07/911827607.db2.gz GBFGTGSUHDJRCA-GHMZBOCLSA-N 2 0 270.377 -0.609 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CN1C(=O)CC[NH+](C)C ZINC001441841867 911837361 /nfs/dbraw/zinc/83/73/61/911837361.db2.gz RPSUAMFDKVXIGK-NWDGAFQWSA-N 2 0 284.404 -0.395 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001441935386 911857878 /nfs/dbraw/zinc/85/78/78/911857878.db2.gz JVUFPHUGGTXOEJ-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001441938722 911859165 /nfs/dbraw/zinc/85/91/65/911859165.db2.gz JGTDZSDSDXUYQZ-NEPJUHHUSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@@H]1CCNC1=O ZINC001441947319 911863316 /nfs/dbraw/zinc/86/33/16/911863316.db2.gz UKUUWIPBQLCVKO-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001441943487 911864027 /nfs/dbraw/zinc/86/40/27/911864027.db2.gz SYTSKNAFDGBQSD-DGCLKSJQSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001441983762 911880566 /nfs/dbraw/zinc/88/05/66/911880566.db2.gz LYXOEOOZCASZLJ-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001442119947 911933219 /nfs/dbraw/zinc/93/32/19/911933219.db2.gz KMDJGSCVJKMQQE-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)C1CC([NH2+]CCO)C1 ZINC001442245686 911956632 /nfs/dbraw/zinc/95/66/32/911956632.db2.gz AZQOPUVZBSZGEF-HSBZDZAISA-N 2 0 299.415 -0.474 20 0 CBADRP CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001442248085 911957476 /nfs/dbraw/zinc/95/74/76/911957476.db2.gz MBMWIMVOWTWBLU-HIFPTAJRSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@H]1CCNC1=O ZINC001442350239 911981790 /nfs/dbraw/zinc/98/17/90/911981790.db2.gz JPCNKFPGOYJUBY-YPMHNXCESA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001442901230 912125019 /nfs/dbraw/zinc/12/50/19/912125019.db2.gz CVVQMEVSWAUYHF-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@H]([NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001443081691 912151659 /nfs/dbraw/zinc/15/16/59/912151659.db2.gz RWYBDDGVWSEPIA-LBPRGKRZSA-N 2 0 284.404 -0.360 20 0 CBADRP CN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001443090024 912151760 /nfs/dbraw/zinc/15/17/60/912151760.db2.gz IOIPROSBISUOCF-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001443106258 912155346 /nfs/dbraw/zinc/15/53/46/912155346.db2.gz WCYHAZPALPPPRE-NSHDSACASA-N 2 0 270.377 -0.737 20 0 CBADRP CN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001443093688 912155783 /nfs/dbraw/zinc/15/57/83/912155783.db2.gz AWYLFWZOFNCOHP-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001443107866 912157086 /nfs/dbraw/zinc/15/70/86/912157086.db2.gz ZIMNCNABPGZJQE-MNOVXSKESA-N 2 0 270.377 -0.750 20 0 CBADRP C[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001443249498 912174004 /nfs/dbraw/zinc/17/40/04/912174004.db2.gz RKVIHFIGLRAVEQ-LLVKDONJSA-N 2 0 270.377 -0.748 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001443330154 912182649 /nfs/dbraw/zinc/18/26/49/912182649.db2.gz MGEARGZUXANOLX-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP CNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001443331563 912184752 /nfs/dbraw/zinc/18/47/52/912184752.db2.gz MGEARGZUXANOLX-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001443315007 912185557 /nfs/dbraw/zinc/18/55/57/912185557.db2.gz AUNFPVBRXNXVTE-STQMWFEESA-N 2 0 298.431 -0.018 20 0 CBADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cn1 ZINC001466683035 915142184 /nfs/dbraw/zinc/14/21/84/915142184.db2.gz NKXRDIXIPPMRGN-HNNXBMFYSA-N 2 0 292.383 -0.060 20 0 CBADRP Cn1nncc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001471109790 915554331 /nfs/dbraw/zinc/55/43/31/915554331.db2.gz ZJDGEGPCYPMDPZ-VXGBXAGGSA-N 2 0 294.403 -0.374 20 0 CBADRP COC[C@@H](C)[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001507251151 921782884 /nfs/dbraw/zinc/78/28/84/921782884.db2.gz AXUUADPUURZBCQ-NEPJUHHUSA-N 2 0 285.388 -0.816 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]C[C@H]1CCCCO1 ZINC001507259196 921787571 /nfs/dbraw/zinc/78/75/71/921787571.db2.gz CSQIKFHBYFIFEP-ZIAGYGMSSA-N 2 0 299.415 -0.282 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCF ZINC001507264686 921790960 /nfs/dbraw/zinc/79/09/60/921790960.db2.gz KXCFRPGTRFSIJN-VXGBXAGGSA-N 2 0 275.368 -0.103 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NC[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001472231387 915711183 /nfs/dbraw/zinc/71/11/83/915711183.db2.gz ABYMRKMZDBKABE-CQSZACIVSA-N 2 0 294.443 -0.062 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001473841778 915868917 /nfs/dbraw/zinc/86/89/17/915868917.db2.gz BQGCKGWLLNNLJX-KFWWJZLASA-N 2 0 285.432 -0.191 20 0 CBADRP NC(=O)Cn1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)nn1 ZINC001474131180 915886564 /nfs/dbraw/zinc/88/65/64/915886564.db2.gz GIUUUBHFONPSDD-UHFFFAOYSA-N 2 0 292.387 -0.273 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001507316832 921807367 /nfs/dbraw/zinc/80/73/67/921807367.db2.gz FHDVUEARYDLETQ-MNOVXSKESA-N 2 0 282.388 -0.608 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001479319565 916119892 /nfs/dbraw/zinc/11/98/92/916119892.db2.gz MECQKALQFGPPAL-GRYCIOLGSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH+]1CCC(CC(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001479398763 916128500 /nfs/dbraw/zinc/12/85/00/916128500.db2.gz JLOAWDCBJPOGTH-JOCQHMNTSA-N 2 0 296.415 -0.312 20 0 CBADRP CNC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001479790356 916174381 /nfs/dbraw/zinc/17/43/81/916174381.db2.gz VUHIVNDWOFGUJX-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001479812206 916183507 /nfs/dbraw/zinc/18/35/07/916183507.db2.gz IBTOGYJGICRBDT-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](CC(N)=O)C2CC2)C1 ZINC001479876750 916200396 /nfs/dbraw/zinc/20/03/96/916200396.db2.gz VCFPJCRYCFTRDV-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP CC1CC[NH+](CC(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)CC1 ZINC001480055199 916275696 /nfs/dbraw/zinc/27/56/96/916275696.db2.gz LMWYTGCTECAJPO-ZDUSSCGKSA-N 2 0 296.415 -0.312 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC)C1)[NH+](C)C ZINC001480117671 916291737 /nfs/dbraw/zinc/29/17/37/916291737.db2.gz RQGIZGPYLNETLX-WOPDTQHZSA-N 2 0 284.404 -0.348 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001480146538 916309713 /nfs/dbraw/zinc/30/97/13/916309713.db2.gz XHHFBCMQAYCJRJ-HAQNSBGRSA-N 2 0 294.399 -0.402 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](C)O)C1)[NH+](C)C ZINC001480157954 916311058 /nfs/dbraw/zinc/31/10/58/916311058.db2.gz DYVYKCBBMHGOIK-BJDJZHNGSA-N 2 0 257.378 -0.056 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]CCCO)C2)C1 ZINC001480167516 916315785 /nfs/dbraw/zinc/31/57/85/916315785.db2.gz MOAFAYQPRSIKON-JHJVBQTASA-N 2 0 269.389 -0.053 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001480174470 916316237 /nfs/dbraw/zinc/31/62/37/916316237.db2.gz XMQULFQLFQPFKK-HAQNSBGRSA-N 2 0 282.388 -0.416 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001480231282 916336280 /nfs/dbraw/zinc/33/62/80/916336280.db2.gz DBDBJBLRZRCGFK-SDDRHHMPSA-N 2 0 294.399 -0.547 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nncn2C)C1 ZINC001480231193 916337775 /nfs/dbraw/zinc/33/77/75/916337775.db2.gz BVBHQZYKJATRIF-TXEJJXNPSA-N 2 0 294.403 -0.106 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001480233512 916339318 /nfs/dbraw/zinc/33/93/18/916339318.db2.gz DLSVITQEENYJRR-PHIMTYICSA-N 2 0 270.377 -0.689 20 0 CBADRP C[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001480295116 916353103 /nfs/dbraw/zinc/35/31/03/916353103.db2.gz VXGUTCNHHZMQPT-LBPRGKRZSA-N 2 0 296.415 -0.358 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001480351019 916362514 /nfs/dbraw/zinc/36/25/14/916362514.db2.gz FPVZAGXLHIDBMP-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001480460869 916422891 /nfs/dbraw/zinc/42/28/91/916422891.db2.gz XZMPSCDYSZHWGN-MNOVXSKESA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@@H](O)C[NH2+][C@H](C)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001480463295 916427568 /nfs/dbraw/zinc/42/75/68/916427568.db2.gz TWTOZZNQPUMYPJ-VXGBXAGGSA-N 2 0 297.403 -0.467 20 0 CBADRP C[C@@H](O)C[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001480475813 916433065 /nfs/dbraw/zinc/43/30/65/916433065.db2.gz UNNNMIFFZRWIGB-GHMZBOCLSA-N 2 0 257.378 -0.054 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cnn(C)c1 ZINC001480531040 916459549 /nfs/dbraw/zinc/45/95/49/916459549.db2.gz SYEUFXPQWKHVEK-NSHDSACASA-N 2 0 267.377 -0.034 20 0 CBADRP C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)[NH2+]CCO ZINC001480552048 916469230 /nfs/dbraw/zinc/46/92/30/916469230.db2.gz CMGOHLRGSBMXSJ-NSHDSACASA-N 2 0 283.376 -0.855 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1)C(N)=O ZINC001480560154 916474584 /nfs/dbraw/zinc/47/45/84/916474584.db2.gz UBQQSRJXRVQJQM-NWDGAFQWSA-N 2 0 284.404 -0.314 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001480571560 916477486 /nfs/dbraw/zinc/47/74/86/916477486.db2.gz INXUFLMYFLYNLD-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480590823 916488088 /nfs/dbraw/zinc/48/80/88/916488088.db2.gz VNCDLSBHRXHIPJ-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001480597540 916489006 /nfs/dbraw/zinc/48/90/06/916489006.db2.gz QVZHWZJQPJPTJT-NEPJUHHUSA-N 2 0 284.404 -0.348 20 0 CBADRP C[N@H+](CC(=O)N1CC[C@H](C[NH2+]CCO)C1)C1CCC1 ZINC001480647242 916510436 /nfs/dbraw/zinc/51/04/36/916510436.db2.gz BOCRLPPINWCWEW-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H](CCNC(=O)CCC[NH+](C)C)[NH2+][C@@H]1CCNC1=O ZINC001480788310 916543011 /nfs/dbraw/zinc/54/30/11/916543011.db2.gz HHKTVGZYUXSYMM-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[N@H+](CCNC(=O)CCC[NH+](C)C)[C@H]1CCN(C)C1=O ZINC001480995640 916673697 /nfs/dbraw/zinc/67/36/97/916673697.db2.gz AECXLDBKUAVDKX-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H](C)C(N)=O ZINC001481132269 916731595 /nfs/dbraw/zinc/73/15/95/916731595.db2.gz JDRIPIDYHIZTKT-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001481272437 916799058 /nfs/dbraw/zinc/79/90/58/916799058.db2.gz GHTTUXRLBMTSAJ-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481315217 916815446 /nfs/dbraw/zinc/81/54/46/916815446.db2.gz SOQBBDCGRFKSSX-ZDUSSCGKSA-N 2 0 298.431 -0.147 20 0 CBADRP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481314241 916816352 /nfs/dbraw/zinc/81/63/52/916816352.db2.gz BWSSQLSJABGERV-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP CNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001481478914 916844465 /nfs/dbraw/zinc/84/44/65/916844465.db2.gz CCYGVJAZCREZCT-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC(N)=O ZINC001481816506 916995461 /nfs/dbraw/zinc/99/54/61/916995461.db2.gz MGPHDLSIVOGONT-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC(=O)NC ZINC001481828549 916997022 /nfs/dbraw/zinc/99/70/22/916997022.db2.gz DSOMLCNOLWLPBG-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)CC ZINC001481874163 917011922 /nfs/dbraw/zinc/01/19/22/917011922.db2.gz FFLBWMOIZVXXJY-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC ZINC001481870490 917012363 /nfs/dbraw/zinc/01/23/63/917012363.db2.gz MYRLJZPCIDDRQM-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)N(C)C ZINC001482167047 917069208 /nfs/dbraw/zinc/06/92/08/917069208.db2.gz AEBVOIKNJBGWML-NWDGAFQWSA-N 2 0 284.404 -0.632 20 0 CBADRP COCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482169755 917069797 /nfs/dbraw/zinc/06/97/97/917069797.db2.gz VWOVLOFUHCPHBA-RYUDHWBXSA-N 2 0 257.378 -0.074 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]C[C@H](C)O ZINC001482167044 917071408 /nfs/dbraw/zinc/07/14/08/917071408.db2.gz ADFDAXPWEAEBOD-RYUDHWBXSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCCNC1=O)N(C)C(=O)CC[NH+](C)C ZINC001482326380 917127511 /nfs/dbraw/zinc/12/75/11/917127511.db2.gz RMSSDHWJUNOKBQ-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001482355583 917135595 /nfs/dbraw/zinc/13/55/95/917135595.db2.gz ZTJWLWZPONIEME-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O)[NH+](C)C ZINC001482354441 917135622 /nfs/dbraw/zinc/13/56/22/917135622.db2.gz QTKNWOZJEARDBR-VHSXEESVSA-N 2 0 258.366 -0.752 20 0 CBADRP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O)[NH+](C)C ZINC001482354438 917136603 /nfs/dbraw/zinc/13/66/03/917136603.db2.gz QTKNWOZJEARDBR-NXEZZACHSA-N 2 0 258.366 -0.752 20 0 CBADRP CC(C)C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001482394197 917142849 /nfs/dbraw/zinc/14/28/49/917142849.db2.gz OIFFHKZBNUHXAE-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@H](C)C(N)=O ZINC001482551940 917159020 /nfs/dbraw/zinc/15/90/20/917159020.db2.gz ZOQHLXWNDJFGIS-YPMHNXCESA-N 2 0 298.431 -0.068 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CC(N)=O)C1 ZINC001482667640 917201135 /nfs/dbraw/zinc/20/11/35/917201135.db2.gz TWVCOVXSZFDQHD-QWHCGFSZSA-N 2 0 296.415 -0.264 20 0 CBADRP CC(C)(C(=O)NC[C@@H](O)C[NH2+]CCF)[NH+]1CCCC1 ZINC001482755037 917250706 /nfs/dbraw/zinc/25/07/06/917250706.db2.gz AVABIJHCMYEJAT-NSHDSACASA-N 2 0 275.368 -0.103 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1nccn1C)[NH+](C)C ZINC001482771029 917269142 /nfs/dbraw/zinc/26/91/42/917269142.db2.gz XQKUMGDLCGCDQM-NEPJUHHUSA-N 2 0 297.403 -0.673 20 0 CBADRP CC[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001482780636 917279794 /nfs/dbraw/zinc/27/97/94/917279794.db2.gz CDAKEFIHILUCGM-GFCCVEGCSA-N 2 0 257.378 -0.195 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC2CCOCC2)C1 ZINC001482791462 917285719 /nfs/dbraw/zinc/28/57/19/917285719.db2.gz SHUVZOUHWNHZCD-UONOGXRCSA-N 2 0 299.415 -0.569 20 0 CBADRP CC(C)[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001482792175 917287281 /nfs/dbraw/zinc/28/72/81/917287281.db2.gz GLFWPFYEESZJRG-QWHCGFSZSA-N 2 0 287.404 -0.570 20 0 CBADRP Cn1cncc1C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001482790384 917288085 /nfs/dbraw/zinc/28/80/85/917288085.db2.gz BCXXHUBPHIPDRO-CYBMUJFWSA-N 2 0 295.387 -0.917 20 0 CBADRP CC(C)OCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482790674 917288598 /nfs/dbraw/zinc/28/85/98/917288598.db2.gz HKFPJXIIZAUVSP-CHWSQXEVSA-N 2 0 287.404 -0.570 20 0 CBADRP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482832302 917310199 /nfs/dbraw/zinc/31/01/99/917310199.db2.gz FNPHWWKDIQIUCX-IJLUTSLNSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482841194 917310466 /nfs/dbraw/zinc/31/04/66/917310466.db2.gz CRHDDICJTMRQIK-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001482875757 917319949 /nfs/dbraw/zinc/31/99/49/917319949.db2.gz ZALKRSBODDUDBQ-NSHDSACASA-N 2 0 286.420 -0.066 20 0 CBADRP CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001482893207 917324303 /nfs/dbraw/zinc/32/43/03/917324303.db2.gz ZQOZDWQSISKJTG-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H](O)C[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001482890659 917325504 /nfs/dbraw/zinc/32/55/04/917325504.db2.gz ITMIECZKDMGCJO-RYUDHWBXSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H](CC[NH2+]CC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482899304 917325522 /nfs/dbraw/zinc/32/55/22/917325522.db2.gz NRYFNCKPNZJYHY-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@H](C(=O)N(CC)CC[NH2+]CC(=O)NC)[NH+](C)C ZINC001482963931 917351181 /nfs/dbraw/zinc/35/11/81/917351181.db2.gz SIXROXFJOFINTA-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCCO ZINC001482990706 917361502 /nfs/dbraw/zinc/36/15/02/917361502.db2.gz GQYWSHZKWKTVDK-ZZKXABKFSA-N 2 0 255.362 -0.275 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001483083619 917404651 /nfs/dbraw/zinc/40/46/51/917404651.db2.gz NBGLSTFKTVMHCI-AAOUONPWSA-N 2 0 294.399 -0.521 20 0 CBADRP COC[C@@H](O)C[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001483083916 917405031 /nfs/dbraw/zinc/40/50/31/917405031.db2.gz SMWPXKHEKCWPJW-ZRMMWKCHSA-N 2 0 297.399 -0.649 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001483093937 917405974 /nfs/dbraw/zinc/40/59/74/917405974.db2.gz WDESBTFGDHUMJK-PCAWENJQSA-N 2 0 282.388 -0.521 20 0 CBADRP C[C@H](C[NH2+]CCN1CCNC1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483116053 917417752 /nfs/dbraw/zinc/41/77/52/917417752.db2.gz BDYHZLZRRREJEK-VXGBXAGGSA-N 2 0 297.403 -0.800 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001483135921 917429267 /nfs/dbraw/zinc/42/92/67/917429267.db2.gz WSRAHVMSTWSBAY-VXGBXAGGSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001483137066 917431108 /nfs/dbraw/zinc/43/11/08/917431108.db2.gz JTSWRCHHAKXHSI-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483157757 917437359 /nfs/dbraw/zinc/43/73/59/917437359.db2.gz YQPTWFSTHJZJNV-KXUCPTDWSA-N 2 0 256.350 -0.951 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483157758 917440994 /nfs/dbraw/zinc/44/09/94/917440994.db2.gz YQPTWFSTHJZJNV-OPRDCNLKSA-N 2 0 256.350 -0.951 20 0 CBADRP C[C@H](C[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)CC[NH+](C)C ZINC001483162863 917443469 /nfs/dbraw/zinc/44/34/69/917443469.db2.gz QGTKVSXDOAMRNH-GFCCVEGCSA-N 2 0 294.399 -0.069 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](CC)C(N)=O)[NH+](C)C ZINC001483241085 917485394 /nfs/dbraw/zinc/48/53/94/917485394.db2.gz XWAAEVPJCAMZKB-GARJFASQSA-N 2 0 272.393 -0.315 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)C(N)=O)[NH+](C)C ZINC001483237222 917486648 /nfs/dbraw/zinc/48/66/48/917486648.db2.gz BIJWWOTYFVBIMW-AXFHLTTASA-N 2 0 272.393 -0.459 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001483262150 917499188 /nfs/dbraw/zinc/49/91/88/917499188.db2.gz USQWILFGRCYNMS-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cnnn1C ZINC001483296380 917511030 /nfs/dbraw/zinc/51/10/30/917511030.db2.gz GTGUEUHRBBVDEK-NSHDSACASA-N 2 0 282.392 -0.250 20 0 CBADRP C[C@@H](C[N@H+](C)CCO)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483340335 917540968 /nfs/dbraw/zinc/54/09/68/917540968.db2.gz ZRJAPJBQJIWXGC-WCQYABFASA-N 2 0 269.389 -0.243 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@@H]1CCN(C)C1=O ZINC001483405590 917555705 /nfs/dbraw/zinc/55/57/05/917555705.db2.gz ZAWPPPQTAAEKQN-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC001483420952 917560157 /nfs/dbraw/zinc/56/01/57/917560157.db2.gz MZRDPWDCEOZCRQ-STQMWFEESA-N 2 0 298.431 -0.006 20 0 CBADRP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC001483420948 917560283 /nfs/dbraw/zinc/56/02/83/917560283.db2.gz MZRDPWDCEOZCRQ-OLZOCXBDSA-N 2 0 298.431 -0.006 20 0 CBADRP CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483466606 917572959 /nfs/dbraw/zinc/57/29/59/917572959.db2.gz MWEQQMBGSAIUIL-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CCCO)C2CC2)C1 ZINC001483604901 917602264 /nfs/dbraw/zinc/60/22/64/917602264.db2.gz AGFKMWHADLMXEW-STQMWFEESA-N 2 0 269.389 -0.195 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1CCCO ZINC001483689396 917642824 /nfs/dbraw/zinc/64/28/24/917642824.db2.gz QHUBOOSXTKDUTI-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP CCN(C)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001483722095 917654455 /nfs/dbraw/zinc/65/44/55/917654455.db2.gz QENXJNSPKIWKJN-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP COCC[NH2+]C1(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001483790752 917680540 /nfs/dbraw/zinc/68/05/40/917680540.db2.gz LQRGYQMHIDSREN-ZDUSSCGKSA-N 2 0 299.415 -0.161 20 0 CBADRP COCC[NH2+]C1(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001483790751 917682723 /nfs/dbraw/zinc/68/27/23/917682723.db2.gz LQRGYQMHIDSREN-CYBMUJFWSA-N 2 0 299.415 -0.161 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001483837164 917686865 /nfs/dbraw/zinc/68/68/65/917686865.db2.gz ZNEBGEFWZIQMNS-UHFFFAOYSA-N 2 0 296.415 -0.262 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCO)C2)CC[N@@H+]1C ZINC001484235028 917777136 /nfs/dbraw/zinc/77/71/36/917777136.db2.gz FGNKRPZSMFFMCI-KCQAQPDRSA-N 2 0 299.415 -0.738 20 0 CBADRP CC(C)[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001484252631 917792243 /nfs/dbraw/zinc/79/22/43/917792243.db2.gz VZWGYNABIOSQLZ-TZMCWYRMSA-N 2 0 269.389 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001484346078 917831243 /nfs/dbraw/zinc/83/12/43/917831243.db2.gz HWQVGLLHEWSZQM-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001484368144 917836430 /nfs/dbraw/zinc/83/64/30/917836430.db2.gz BUMLWMAWSPQTNM-RYUDHWBXSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001484375205 917837338 /nfs/dbraw/zinc/83/73/38/917837338.db2.gz IAXQHUYVIZIRDQ-NWDGAFQWSA-N 2 0 284.404 -0.502 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001484443402 917855219 /nfs/dbraw/zinc/85/52/19/917855219.db2.gz GTGNLSUNBKLVSY-DZGCQCFKSA-N 2 0 299.415 -0.736 20 0 CBADRP C[N@H+](CC(=O)N[C@]1(CO)CCC[NH+](CCO)C1)C1CCC1 ZINC001484437429 917857817 /nfs/dbraw/zinc/85/78/17/917857817.db2.gz HANWLDUDMXPMGN-OAHLLOKOSA-N 2 0 299.415 -0.594 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001484581335 917885773 /nfs/dbraw/zinc/88/57/73/917885773.db2.gz ITTYFGBNHOPNNP-UHFFFAOYSA-N 2 0 296.415 -0.262 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCO[C@H](C[NH2+]CCO)C2)CC1 ZINC001484685126 917921945 /nfs/dbraw/zinc/92/19/45/917921945.db2.gz IYBZWKOASMUKIX-GFCCVEGCSA-N 2 0 285.388 -0.863 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCO[C@@H](C[NH2+]CCO)C2)CC1 ZINC001484685127 917922523 /nfs/dbraw/zinc/92/25/23/917922523.db2.gz IYBZWKOASMUKIX-LBPRGKRZSA-N 2 0 285.388 -0.863 20 0 CBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]CCCO ZINC001484905227 917963162 /nfs/dbraw/zinc/96/31/62/917963162.db2.gz FOSPCIIFQGTQRU-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(O)(C[NH2+]CCCO)CC2)C1 ZINC001484964538 917973394 /nfs/dbraw/zinc/97/33/94/917973394.db2.gz NIEKRDMZHYXYBZ-CYBMUJFWSA-N 2 0 299.415 -0.736 20 0 CBADRP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001485189664 918022833 /nfs/dbraw/zinc/02/28/33/918022833.db2.gz YEGAZISCWBQOIS-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001485215235 918033647 /nfs/dbraw/zinc/03/36/47/918033647.db2.gz LUTNTDHJXRZACF-RYUDHWBXSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001485739724 918176829 /nfs/dbraw/zinc/17/68/29/918176829.db2.gz YWTMZIZNDXMTND-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001485856920 918212254 /nfs/dbraw/zinc/21/22/54/918212254.db2.gz WAPVMJZQGKZGFW-QWRGUYRKSA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+][C@@H](C)C(N)=O ZINC001485916521 918224701 /nfs/dbraw/zinc/22/47/01/918224701.db2.gz STDNOPOICVWNKA-QWRGUYRKSA-N 2 0 272.393 -0.362 20 0 CBADRP C[C@@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]CC(=O)N1CCC1 ZINC001485916124 918225366 /nfs/dbraw/zinc/22/53/66/918225366.db2.gz KLEHNJGZRHFKLD-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001485920039 918230472 /nfs/dbraw/zinc/23/04/72/918230472.db2.gz PZURDKXJIAEBCW-RYUDHWBXSA-N 2 0 286.420 -0.149 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H](C)C(N)=O ZINC001485919704 918232167 /nfs/dbraw/zinc/23/21/67/918232167.db2.gz OAUDDVGVBHKQDQ-ZJUUUORDSA-N 2 0 258.366 -0.752 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001485954936 918239551 /nfs/dbraw/zinc/23/95/51/918239551.db2.gz BIHIHTOILRBCPT-NWDGAFQWSA-N 2 0 284.404 -0.537 20 0 CBADRP C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+]CC(N)=O ZINC001485960330 918239968 /nfs/dbraw/zinc/23/99/68/918239968.db2.gz DRJYWLRHNDHNAV-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)cn1 ZINC001485982700 918278141 /nfs/dbraw/zinc/27/81/41/918278141.db2.gz NPNJYBWSVVPMEL-OLZOCXBDSA-N 2 0 295.387 -0.919 20 0 CBADRP COC[C@H](C)[NH2+][C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001486002527 918295798 /nfs/dbraw/zinc/29/57/98/918295798.db2.gz RZDARDXRPOYHKZ-NWDGAFQWSA-N 2 0 287.404 -0.428 20 0 CBADRP COCC[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001486053285 918344547 /nfs/dbraw/zinc/34/45/47/918344547.db2.gz XUURCQGFTDLOKY-NEPJUHHUSA-N 2 0 273.377 -0.959 20 0 CBADRP C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CC[NH+](C)C ZINC001486084941 918357456 /nfs/dbraw/zinc/35/74/56/918357456.db2.gz MZYVWGZQMTVZGV-ZJUUUORDSA-N 2 0 256.350 -0.998 20 0 CBADRP CN(C[C@H](O)C[NH2+]C[C@@H]1CCOC1)C(=O)CC[NH+](C)C ZINC001486298456 918414962 /nfs/dbraw/zinc/41/49/62/918414962.db2.gz PKHCRZKSEJGCAG-QWHCGFSZSA-N 2 0 287.404 -0.617 20 0 CBADRP CNC(=O)C[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001486468011 918467434 /nfs/dbraw/zinc/46/74/34/918467434.db2.gz WYMUDROREFDOEU-UHFFFAOYSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@@H]([NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001486475260 918470696 /nfs/dbraw/zinc/47/06/96/918470696.db2.gz GMMIUFUAPNIELS-HTAVTVPLSA-N 2 0 284.404 -0.219 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC001486481618 918472790 /nfs/dbraw/zinc/47/27/90/918472790.db2.gz WBNUPGDLHGZXOV-UHFFFAOYSA-N 2 0 270.377 -0.608 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001487451630 918549761 /nfs/dbraw/zinc/54/97/61/918549761.db2.gz MEBHIZYJLSYKEU-JOCQHMNTSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001488770203 918766604 /nfs/dbraw/zinc/76/66/04/918766604.db2.gz HKTJCPBJVULSNM-BETUJISGSA-N 2 0 294.403 -0.286 20 0 CBADRP CN1CC[C@@H]([NH2+][C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001488850804 918775140 /nfs/dbraw/zinc/77/51/40/918775140.db2.gz GIZSMCYKOCSOBQ-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H](O)C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001490234543 918869726 /nfs/dbraw/zinc/86/97/26/918869726.db2.gz ZGTCIKNXGOPMAA-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH+](C)[C@@H]1CCNC1=O ZINC001490270809 918881858 /nfs/dbraw/zinc/88/18/58/918881858.db2.gz JCUZOLDOAUHAJZ-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001490279531 918881985 /nfs/dbraw/zinc/88/19/85/918881985.db2.gz IRXCDVLDSJAPRN-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001490270476 918882394 /nfs/dbraw/zinc/88/23/94/918882394.db2.gz PVTZNALHPAQCEJ-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H](C)C(=O)NC ZINC001490358245 918897637 /nfs/dbraw/zinc/89/76/37/918897637.db2.gz WXCWTSSOKDJBHL-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](CCCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001490394511 918901615 /nfs/dbraw/zinc/90/16/15/918901615.db2.gz XQGLHZWFOBCHIG-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCO)C1 ZINC001490570063 918942520 /nfs/dbraw/zinc/94/25/20/918942520.db2.gz PMMDKSPNCYYUBA-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCOCCO)C2)C1 ZINC001490576699 918944182 /nfs/dbraw/zinc/94/41/82/918944182.db2.gz BJKTUWJAQRQBCS-STQMWFEESA-N 2 0 285.388 -0.863 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH+](C)CC(N)=O)C1 ZINC001490775890 918970153 /nfs/dbraw/zinc/97/01/53/918970153.db2.gz JMXUUNNNAILJPX-CYBMUJFWSA-N 2 0 298.431 -0.016 20 0 CBADRP COCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001490917557 918991154 /nfs/dbraw/zinc/99/11/54/918991154.db2.gz WKVBAICFYFMSSM-IJLUTSLNSA-N 2 0 255.362 -0.036 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001490939969 918992479 /nfs/dbraw/zinc/99/24/79/918992479.db2.gz CSUVULRIBLXLDR-DCAQKATOSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C1)C(N)=O ZINC001490948223 918993349 /nfs/dbraw/zinc/99/33/49/918993349.db2.gz LANXGQWBDLBZFB-IJLUTSLNSA-N 2 0 284.404 -0.171 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001490924803 918994195 /nfs/dbraw/zinc/99/41/95/918994195.db2.gz NZSMUAZBMIPQHV-DRZSPHRISA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001490924967 918994332 /nfs/dbraw/zinc/99/43/32/918994332.db2.gz VGHCZXKHKGETOT-GUBZILKMSA-N 2 0 256.350 -0.951 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001491073062 919024126 /nfs/dbraw/zinc/02/41/26/919024126.db2.gz DGINCWAWZSBZQK-TUAOUCFPSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)[NH+](C)C ZINC001491326390 919112653 /nfs/dbraw/zinc/11/26/53/919112653.db2.gz PFLJOHIYNKJBBE-FPYNETTCSA-N 2 0 294.399 -0.739 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)[NH+](C)C ZINC001491326391 919112953 /nfs/dbraw/zinc/11/29/53/919112953.db2.gz PFLJOHIYNKJBBE-OBPIAQAESA-N 2 0 294.399 -0.739 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCNC(=O)C1CC1 ZINC001491415868 919148207 /nfs/dbraw/zinc/14/82/07/919148207.db2.gz UWNZWCNDDJURHM-YPMHNXCESA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NC ZINC001491474595 919179012 /nfs/dbraw/zinc/17/90/12/919179012.db2.gz VLTXPCNSRLEIAP-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NC ZINC001491474599 919179366 /nfs/dbraw/zinc/17/93/66/919179366.db2.gz VLTXPCNSRLEIAP-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@@H](C(=O)NCCNC(=O)C1(C[NH+](C)C)CC1)[NH+](C)C ZINC001491529035 919191934 /nfs/dbraw/zinc/19/19/34/919191934.db2.gz RELVSETUQKNNSI-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCCO ZINC001491580962 919214797 /nfs/dbraw/zinc/21/47/97/919214797.db2.gz YBDUGJXLOVHMRL-NWDGAFQWSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001491630074 919239573 /nfs/dbraw/zinc/23/95/73/919239573.db2.gz DSEMYEMTURVJFL-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001491640765 919240434 /nfs/dbraw/zinc/24/04/34/919240434.db2.gz LVPQQPLUMGHIMM-GFCCVEGCSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccn(C)n1 ZINC001491674797 919250025 /nfs/dbraw/zinc/25/00/25/919250025.db2.gz WJEPSCDRSRMDJP-VXGBXAGGSA-N 2 0 279.388 -0.034 20 0 CBADRP CCn1nncc1C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001491675055 919250763 /nfs/dbraw/zinc/25/07/63/919250763.db2.gz QWJBWNFYBDGCQT-LBPRGKRZSA-N 2 0 294.403 -0.012 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccn(C)n1 ZINC001491674794 919250914 /nfs/dbraw/zinc/25/09/14/919250914.db2.gz WJEPSCDRSRMDJP-NEPJUHHUSA-N 2 0 279.388 -0.034 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCCNC1=O ZINC001491684567 919251046 /nfs/dbraw/zinc/25/10/46/919251046.db2.gz WOCUVFKYZPVXLV-RYUDHWBXSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H](C)C(=O)NC1CC1 ZINC001491672805 919251526 /nfs/dbraw/zinc/25/15/26/919251526.db2.gz DDNMEHLFMOAAJI-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCCC1 ZINC001491672796 919252958 /nfs/dbraw/zinc/25/29/58/919252958.db2.gz JCKDACJDAOHRQJ-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001491858984 919292346 /nfs/dbraw/zinc/29/23/46/919292346.db2.gz NPOSGBHEBYCWEB-STQMWFEESA-N 2 0 298.431 -0.101 20 0 CBADRP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CCn1cncn1 ZINC001492853292 919440424 /nfs/dbraw/zinc/44/04/24/919440424.db2.gz DIKCQOYDKNVGSN-LBPRGKRZSA-N 2 0 280.376 -0.722 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001493252662 919507553 /nfs/dbraw/zinc/50/75/53/919507553.db2.gz OJEYWPWFUHSHKO-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001493252666 919508476 /nfs/dbraw/zinc/50/84/76/919508476.db2.gz OJEYWPWFUHSHKO-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493232150 919509961 /nfs/dbraw/zinc/50/99/61/919509961.db2.gz BYBWDQVMFFTHTB-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001493254699 919514323 /nfs/dbraw/zinc/51/43/23/919514323.db2.gz JFCWZHXKPIZVIG-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@H](O)C[N@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001493408097 919539283 /nfs/dbraw/zinc/53/92/83/919539283.db2.gz VUTLBIPWPXSIID-NSHDSACASA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001493549060 919578858 /nfs/dbraw/zinc/57/88/58/919578858.db2.gz CKLSUCXHPQMHQI-JQWIXIFHSA-N 2 0 282.388 -0.750 20 0 CBADRP CN(CC[NH2+]CCCO)C(=O)C1([NH+](C)C)CCC1 ZINC001493574122 919583304 /nfs/dbraw/zinc/58/33/04/919583304.db2.gz BVEYCLSINYAPSE-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001493654360 919598543 /nfs/dbraw/zinc/59/85/43/919598543.db2.gz YITBMDUKWXOKNX-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001493681621 919604730 /nfs/dbraw/zinc/60/47/30/919604730.db2.gz NFZCNDKAXHHTJL-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP CN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001493725845 919613572 /nfs/dbraw/zinc/61/35/72/919613572.db2.gz NSKCITFRCUMIJB-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001493762109 919618064 /nfs/dbraw/zinc/61/80/64/919618064.db2.gz QAUYOPVAFSRHIB-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CC(N)=O ZINC001493806722 919623999 /nfs/dbraw/zinc/62/39/99/919623999.db2.gz OACDTCXMAXMYLV-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CC(N)=O ZINC001493806720 919624240 /nfs/dbraw/zinc/62/42/40/919624240.db2.gz OACDTCXMAXMYLV-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP CC(C)[C@H](C(=O)NCC[C@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001494048077 919651713 /nfs/dbraw/zinc/65/17/13/919651713.db2.gz MTDHLKBFSDLACI-GXTWGEPZSA-N 2 0 298.431 -0.114 20 0 CBADRP C[N@H+](CCO)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001494170952 919665902 /nfs/dbraw/zinc/66/59/02/919665902.db2.gz GEXGBJNJNGXGIL-ZDUSSCGKSA-N 2 0 281.400 -0.145 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@H](C)C(N)=O)C1 ZINC001494170573 919666751 /nfs/dbraw/zinc/66/67/51/919666751.db2.gz DHELAZUIGQZYGK-CHWSQXEVSA-N 2 0 298.431 -0.018 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC(=O)NC ZINC001494981754 919830947 /nfs/dbraw/zinc/83/09/47/919830947.db2.gz SOVTUGDQZOTNRO-QWHCGFSZSA-N 2 0 296.415 -0.441 20 0 CBADRP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCO ZINC001494995512 919837009 /nfs/dbraw/zinc/83/70/09/919837009.db2.gz VKNCWBKKRLHHNG-NSHDSACASA-N 2 0 257.378 -0.053 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCO ZINC001495037040 919848641 /nfs/dbraw/zinc/84/86/41/919848641.db2.gz KZAXCZMUBXAEOI-RYUDHWBXSA-N 2 0 257.378 -0.053 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001495234927 919878679 /nfs/dbraw/zinc/87/86/79/919878679.db2.gz QYBIPGRGSWRSBJ-SMDDNHRTSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1nncn1C ZINC001495810878 919948088 /nfs/dbraw/zinc/94/80/88/919948088.db2.gz ZBPPYQUTUURCGK-LBPRGKRZSA-N 2 0 294.403 -0.247 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001495808069 919949798 /nfs/dbraw/zinc/94/97/98/919949798.db2.gz ILHCGCSXXLDBON-LLVKDONJSA-N 2 0 270.377 -0.830 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001495817516 919951573 /nfs/dbraw/zinc/95/15/73/919951573.db2.gz ZPOUTEYBKXESCT-LBPRGKRZSA-N 2 0 296.419 -0.003 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001495813585 919953303 /nfs/dbraw/zinc/95/33/03/919953303.db2.gz NLVZTAABGNWHCW-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CC(N)=O)CCCC2)C1 ZINC001495953433 919991625 /nfs/dbraw/zinc/99/16/25/919991625.db2.gz AYZNACRAGNOYHD-GFCCVEGCSA-N 2 0 296.415 -0.168 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O ZINC001496055422 920019995 /nfs/dbraw/zinc/01/99/95/920019995.db2.gz LRGQXZGJZNCQDF-NEPJUHHUSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCO ZINC001496362523 920061459 /nfs/dbraw/zinc/06/14/59/920061459.db2.gz YPWSFKRSNMPOPA-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001496987105 920195287 /nfs/dbraw/zinc/19/52/87/920195287.db2.gz WQYMTHDGPZPDAK-VXGBXAGGSA-N 2 0 255.362 -0.585 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001497004063 920200215 /nfs/dbraw/zinc/20/02/15/920200215.db2.gz UUJYKCCWOGZLNF-OLZOCXBDSA-N 2 0 299.415 -0.690 20 0 CBADRP CC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001497033720 920219482 /nfs/dbraw/zinc/21/94/82/920219482.db2.gz SLZMTXUCTWLFSK-LLVKDONJSA-N 2 0 257.378 -0.053 20 0 CBADRP CO[C@@H](C)C[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001497045501 920225508 /nfs/dbraw/zinc/22/55/08/920225508.db2.gz FAYMOBQQQNJDBS-WCQYABFASA-N 2 0 287.404 -0.570 20 0 CBADRP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001497220382 920272029 /nfs/dbraw/zinc/27/20/29/920272029.db2.gz QMDAZOWNMYZTDB-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001497362798 920292803 /nfs/dbraw/zinc/29/28/03/920292803.db2.gz VBGFSZBKDKSEHU-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP CC[C@H]([NH2+]CCN(CC)C(=O)C[NH+]1CCCC1)C(N)=O ZINC001497496252 920309472 /nfs/dbraw/zinc/30/94/72/920309472.db2.gz USGLFOAXDAKEOH-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001497486637 920311036 /nfs/dbraw/zinc/31/10/36/920311036.db2.gz OZARJAUMVOAYNV-LBPRGKRZSA-N 2 0 294.399 -0.591 20 0 CBADRP CCN(CC[NH2+]CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497485463 920312430 /nfs/dbraw/zinc/31/24/30/920312430.db2.gz CWRZJEZVNVNQBN-LBPRGKRZSA-N 2 0 257.378 -0.241 20 0 CBADRP CNC(=O)C[NH2+]C/C=C/CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001497600588 920350902 /nfs/dbraw/zinc/35/09/02/920350902.db2.gz KNKBVKXIWOVAAY-OOPCZODUSA-N 2 0 296.415 -0.131 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001497651653 920362895 /nfs/dbraw/zinc/36/28/95/920362895.db2.gz XRILXXVNWKLTCD-KBIXYVOKSA-N 2 0 282.388 -0.523 20 0 CBADRP CC[C@H]([NH2+]C/C=C\CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001497729709 920378223 /nfs/dbraw/zinc/37/82/23/920378223.db2.gz HVDJULYCJVBXAJ-AIMRDXAKSA-N 2 0 296.415 -0.146 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001497827956 920403862 /nfs/dbraw/zinc/40/38/62/920403862.db2.gz PUWNRVMXRPFPEM-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCCNC1=O)[NH+](C)C ZINC001497836273 920406748 /nfs/dbraw/zinc/40/67/48/920406748.db2.gz UXEJTPPDGXPVLF-IJLUTSLNSA-N 2 0 284.404 -0.301 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001497992947 920434358 /nfs/dbraw/zinc/43/43/58/920434358.db2.gz JZESWQRLFZXWAK-GHMZBOCLSA-N 2 0 298.387 -0.774 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001498051066 920461918 /nfs/dbraw/zinc/46/19/18/920461918.db2.gz MIRJODGGMWBGGT-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP CC[C@@H]([NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)C(N)=O ZINC001498109164 920483054 /nfs/dbraw/zinc/48/30/54/920483054.db2.gz JEUCQHRVGGAZQQ-VHSXEESVSA-N 2 0 258.366 -0.704 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001498151722 920499406 /nfs/dbraw/zinc/49/94/06/920499406.db2.gz OKNQVHHUHPEYNG-LBPRGKRZSA-N 2 0 298.431 -0.053 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC ZINC001498169189 920510012 /nfs/dbraw/zinc/51/00/12/920510012.db2.gz YHSLJESTCCNOCZ-QWRGUYRKSA-N 2 0 272.393 -0.443 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)CCc1c[nH]cn1 ZINC001498558165 920608357 /nfs/dbraw/zinc/60/83/57/920608357.db2.gz CPBMTZVYIYTCJI-NSHDSACASA-N 2 0 295.387 -0.085 20 0 CBADRP C[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001498549806 920608802 /nfs/dbraw/zinc/60/88/02/920608802.db2.gz JSOPGEJOLPVFFO-QJPTWQEYSA-N 2 0 284.404 -0.362 20 0 CBADRP CC[C@H](C(=O)N(C)CCC[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001498586405 920612562 /nfs/dbraw/zinc/61/25/62/920612562.db2.gz NZBASRYMQXWZBR-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)CCC1 ZINC001498768905 920639062 /nfs/dbraw/zinc/63/90/62/920639062.db2.gz FOQQDHWIQUVUHZ-LLVKDONJSA-N 2 0 282.388 -0.560 20 0 CBADRP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC(=O)NC ZINC001498898635 920651430 /nfs/dbraw/zinc/65/14/30/920651430.db2.gz NXIUGEHTCVFRPH-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+]1CCC(CC(=O)NC[C@H]2CC[N@@H+]2CCO)CC1 ZINC001499073857 920692923 /nfs/dbraw/zinc/69/29/23/920692923.db2.gz INQVGGMLTBBDFN-CYBMUJFWSA-N 2 0 269.389 -0.099 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001499352052 920739396 /nfs/dbraw/zinc/73/93/96/920739396.db2.gz IZFDINMDWNKYDW-NEPJUHHUSA-N 2 0 296.415 -0.299 20 0 CBADRP C[N@H+](CC(=O)NCC1([NH2+]CC(N)=O)CC1)CC(C)(C)C ZINC001499351513 920739892 /nfs/dbraw/zinc/73/98/92/920739892.db2.gz CEHYBZFJSABNLX-UHFFFAOYSA-N 2 0 284.404 -0.312 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001499352057 920740212 /nfs/dbraw/zinc/74/02/12/920740212.db2.gz IZFDINMDWNKYDW-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001499448933 920748018 /nfs/dbraw/zinc/74/80/18/920748018.db2.gz XMAZICCKNPBRJD-WDEREUQCSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001499448868 920749673 /nfs/dbraw/zinc/74/96/73/920749673.db2.gz VTVMJBVAEHWZES-UWVGGRQHSA-N 2 0 268.361 -0.950 20 0 CBADRP CCCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001499448013 920750316 /nfs/dbraw/zinc/75/03/16/920750316.db2.gz CXGPFVPXPGWITL-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@]2(CC[NH+](CC(N)=O)C2)C1 ZINC001499619338 920756524 /nfs/dbraw/zinc/75/65/24/920756524.db2.gz LDEPYNLRYTZESE-HNNXBMFYSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001499926457 920784089 /nfs/dbraw/zinc/78/40/89/920784089.db2.gz JLTKOYGKSOOYRQ-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001500259053 920822518 /nfs/dbraw/zinc/82/25/18/920822518.db2.gz ZMZGJQPUVJFCCJ-SWLSCSKDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@]1(C[NH2+]CC(N)=O)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001500394947 920830925 /nfs/dbraw/zinc/83/09/25/920830925.db2.gz ZXEZIYKIVDAXAR-AWEZNQCLSA-N 2 0 294.399 -0.604 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001500373992 920832385 /nfs/dbraw/zinc/83/23/85/920832385.db2.gz DCEZUMQLTDLWFG-CYBMUJFWSA-N 2 0 270.377 -0.748 20 0 CBADRP O=C(NC[C@@]1(O)CC[N@@H+](CCCO)C1)C12CC[NH+](CC1)C2 ZINC001500750313 920875517 /nfs/dbraw/zinc/87/55/17/920875517.db2.gz BFEHUNXJWGIGDA-HNNXBMFYSA-N 2 0 297.399 -0.982 20 0 CBADRP CCOCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001500763242 920880031 /nfs/dbraw/zinc/88/00/31/920880031.db2.gz UCAIOBQLRONHEG-ZFWWWQNUSA-N 2 0 299.415 -0.472 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001501088240 920945381 /nfs/dbraw/zinc/94/53/81/920945381.db2.gz YAFBSRPPGVEHRR-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001501084378 920946528 /nfs/dbraw/zinc/94/65/28/920946528.db2.gz UTIZQMUUFGZJMA-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N(CCO)CC[NH2+]CCF)C1 ZINC001501492700 921029475 /nfs/dbraw/zinc/02/94/75/921029475.db2.gz JMXUNZXDYUTHRO-LBPRGKRZSA-N 2 0 275.368 -0.292 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001507329476 921812982 /nfs/dbraw/zinc/81/29/82/921812982.db2.gz VJRIBPMYMHBIAI-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001507442637 921822834 /nfs/dbraw/zinc/82/28/34/921822834.db2.gz IOWQCADWLFXFHS-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001507442635 921824247 /nfs/dbraw/zinc/82/42/47/921824247.db2.gz IOWQCADWLFXFHS-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)Cc1[nH]cnc1C ZINC001514597933 922210497 /nfs/dbraw/zinc/21/04/97/922210497.db2.gz VFMYDALUAMNWEC-SNVBAGLBSA-N 2 0 252.318 -0.293 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001514838205 922222065 /nfs/dbraw/zinc/22/20/65/922222065.db2.gz HWXSZYYCIYKNKY-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP CN(C(=O)C[NH+]1CCC(CO)CC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001515515767 922235115 /nfs/dbraw/zinc/23/51/15/922235115.db2.gz UIFPYQRIVQFCSK-IMRBUKKESA-N 2 0 267.373 -0.633 20 0 CBADRP [NH3+][C@H]1C[C@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC001515639634 922239235 /nfs/dbraw/zinc/23/92/35/922239235.db2.gz FPBJMZXVHZQAOO-KYZUINATSA-N 2 0 264.333 -0.578 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(c2nccnc2C[NH3+])[C@@H](C)C1 ZINC001515658624 922240909 /nfs/dbraw/zinc/24/09/09/922240909.db2.gz JMWKTCBXPNGELL-WDEREUQCSA-N 2 0 265.361 -0.173 20 0 CBADRP [NH3+][C@H](Cc1ccccn1)C(=O)N[C@H]1C[NH2+]CC12CC2 ZINC001515708577 922241582 /nfs/dbraw/zinc/24/15/82/922241582.db2.gz PXKLRBBMXYPPBO-NEPJUHHUSA-N 2 0 260.341 -0.180 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C)C[NH+](C)C ZINC001520191656 922301595 /nfs/dbraw/zinc/30/15/95/922301595.db2.gz NMRKBDJNNXAMRH-JHJVBQTASA-N 2 0 268.405 -0.311 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C)[NH+](C)C ZINC001520328816 922304153 /nfs/dbraw/zinc/30/41/53/922304153.db2.gz KSPCGETVXBFBMQ-FRRDWIJNSA-N 2 0 268.405 -0.169 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC12CC[NH+](CC1)C2 ZINC001520374335 922307991 /nfs/dbraw/zinc/30/79/91/922307991.db2.gz TULNLCYHXURNQA-VXGBXAGGSA-N 2 0 264.373 -0.661 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC12CC[NH+](CC1)C2 ZINC001520374332 922309253 /nfs/dbraw/zinc/30/92/53/922309253.db2.gz TULNLCYHXURNQA-NEPJUHHUSA-N 2 0 264.373 -0.661 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCC[NH+](C)C ZINC001520729533 922317424 /nfs/dbraw/zinc/31/74/24/922317424.db2.gz SEEZPULOUWBGOU-VXGBXAGGSA-N 2 0 254.378 -0.557 20 0 CBADRP C[C@@H]1[C@H](NC(=O)[C@H]2C[NH+]3CCN2C[C@@H]3C)CC[N@@H+]1C ZINC001520694931 922318381 /nfs/dbraw/zinc/31/83/81/922318381.db2.gz LNVDCQCCKLVTMP-UMSGYPCISA-N 2 0 266.389 -0.417 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001521158353 922335612 /nfs/dbraw/zinc/33/56/12/922335612.db2.gz LQPDOOMFNFLBLQ-TUAOUCFPSA-N 2 0 254.378 -0.526 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H](O)C[NH2+]1 ZINC001521438170 922355615 /nfs/dbraw/zinc/35/56/15/922355615.db2.gz BPWDAJHVSUJABR-HKUMRIAESA-N 2 0 267.373 -0.158 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C1(C[NH3+])CC(O)C1 ZINC001521470915 922355814 /nfs/dbraw/zinc/35/58/14/922355814.db2.gz VKHNFPOHMVQXQZ-ZBOXLXRLSA-N 2 0 257.378 -0.067 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001521476720 922355990 /nfs/dbraw/zinc/35/59/90/922355990.db2.gz NACJCRPOKYGHTQ-WUHRBBMRSA-N 2 0 267.373 -0.361 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001521504428 922359998 /nfs/dbraw/zinc/35/99/98/922359998.db2.gz SHZBLTTVVBZXHF-UMSGYPCISA-N 2 0 266.389 -0.511 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1=O ZINC001521519134 922365034 /nfs/dbraw/zinc/36/50/34/922365034.db2.gz OHPDRYSTENXFQI-DOMZBBRYSA-N 2 0 294.399 -0.604 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001521513418 922365296 /nfs/dbraw/zinc/36/52/96/922365296.db2.gz VKGMCJIJHGEPON-AAEUAGOBSA-N 2 0 252.362 -0.898 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C[NH+]1CCC(CO)CC1 ZINC001521526631 922365685 /nfs/dbraw/zinc/36/56/85/922365685.db2.gz FBFBHKVTKPWULS-NWDGAFQWSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001521533212 922365922 /nfs/dbraw/zinc/36/59/22/922365922.db2.gz DENNNZWTQFKERN-BNOWGMLFSA-N 2 0 267.373 -0.190 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)[C@H]1C ZINC001521526729 922366281 /nfs/dbraw/zinc/36/62/81/922366281.db2.gz HCVJNHDRJBJDLX-GMXVVIOVSA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC[C@@H]([NH3+])C1 ZINC001521526670 922367405 /nfs/dbraw/zinc/36/74/05/922367405.db2.gz FTVKEDYBMCTYML-TUAOUCFPSA-N 2 0 252.362 -0.676 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001521603623 922370559 /nfs/dbraw/zinc/37/05/59/922370559.db2.gz LGINNLHYRRPVPE-QJPTWQEYSA-N 2 0 255.362 -0.179 20 0 CBADRP O=C(NCC[C@@H]1CSCC[NH2+]1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001521741295 922375701 /nfs/dbraw/zinc/37/57/01/922375701.db2.gz XEJPYJYFRINJQC-ZNSHCXBVSA-N 2 0 255.387 -0.337 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001521740977 922377681 /nfs/dbraw/zinc/37/76/81/922377681.db2.gz RPQHWDYWYKQMBR-NEPJUHHUSA-N 2 0 266.389 -0.319 20 0 CBADRP [NH3+][C@H]1CCC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001521858434 922387993 /nfs/dbraw/zinc/38/79/93/922387993.db2.gz LTWYIZWYMKCMCK-CZXHOFHRSA-N 2 0 267.373 -0.001 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CCC2(C[NH2+]C2)CC1 ZINC001521900592 922388168 /nfs/dbraw/zinc/38/81/68/922388168.db2.gz QJPLDMDMAPSIMY-LBPRGKRZSA-N 2 0 267.373 -0.033 20 0 CBADRP C[C@@H](CCNC(=O)C[C@]1(O)CCC[NH2+]C1)[NH+](C)C ZINC001521939724 922390123 /nfs/dbraw/zinc/39/01/23/922390123.db2.gz PHXUTJSCKIHBSR-WCQYABFASA-N 2 0 257.378 -0.053 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N1CCC2(C[NH2+]C2)CC1 ZINC001521908075 922390737 /nfs/dbraw/zinc/39/07/37/922390737.db2.gz WDMRVDKIEUHVQP-UHFFFAOYSA-N 2 0 267.373 -0.033 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC001521971079 922392875 /nfs/dbraw/zinc/39/28/75/922392875.db2.gz CQALIUJOZPFINV-GUBZILKMSA-N 2 0 257.309 -0.819 20 0 CBADRP O=C(N[C@H]1COC2(C[NH2+]C2)C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC001521975400 922392971 /nfs/dbraw/zinc/39/29/71/922392971.db2.gz SCYZQJNSRJMCJX-GYSYKLTISA-N 2 0 265.357 -0.234 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC001521971090 922393956 /nfs/dbraw/zinc/39/39/56/922393956.db2.gz CQALIUJOZPFINV-UTLUCORTSA-N 2 0 257.309 -0.819 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1CCCCC[NH2+]1 ZINC001521974154 922395755 /nfs/dbraw/zinc/39/57/55/922395755.db2.gz NDYFUKFBRUBGQT-QWRGUYRKSA-N 2 0 253.346 -0.234 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC001522251272 922402985 /nfs/dbraw/zinc/40/29/85/922402985.db2.gz QYVYUXAINPKSPV-NWDGAFQWSA-N 2 0 257.378 -0.195 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001522278857 922404490 /nfs/dbraw/zinc/40/44/90/922404490.db2.gz OONHETLIPMABTO-SRVKXCTJSA-N 2 0 254.378 -0.476 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC001522247635 922404635 /nfs/dbraw/zinc/40/46/35/922404635.db2.gz DJZSKRIUVGOQPM-SRVKXCTJSA-N 2 0 255.362 -0.444 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)C1=O ZINC001522405553 922410182 /nfs/dbraw/zinc/41/01/82/922410182.db2.gz IJQMOBHSEHFGOS-XUJVJEKNSA-N 2 0 294.399 -0.416 20 0 CBADRP COC[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001522432216 922416278 /nfs/dbraw/zinc/41/62/78/922416278.db2.gz SNTRSOVPHKQHQY-XWLWVQCSSA-N 2 0 255.362 -0.147 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)C[C@H]1CC[NH3+] ZINC001522596075 922480574 /nfs/dbraw/zinc/48/05/74/922480574.db2.gz BILYRNJOUIJZQV-IJLUTSLNSA-N 2 0 255.362 -0.192 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC001522705069 922506404 /nfs/dbraw/zinc/50/64/04/922506404.db2.gz DEPNTMOBQFSTGK-VIFPVBQESA-N 2 0 251.334 -0.312 20 0 CBADRP CC1(C)CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@H]1[NH3+] ZINC001522708408 922508430 /nfs/dbraw/zinc/50/84/30/922508430.db2.gz SDRYYAKUQUZWDY-SNVBAGLBSA-N 2 0 263.345 -0.135 20 0 CBADRP C[NH+](C)CCC(=O)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001522763099 922515979 /nfs/dbraw/zinc/51/59/79/922515979.db2.gz KLVSIGURWPQUKT-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP CC[C@H](C(=O)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001522765413 922517154 /nfs/dbraw/zinc/51/71/54/922517154.db2.gz TWMCCMGJXKFTQJ-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)[C@@H](N)CC[NH+](C)C ZINC001522823514 922528434 /nfs/dbraw/zinc/52/84/34/922528434.db2.gz CBGDADFNWLDHMJ-YFKTTZPYSA-N 2 0 256.394 -0.137 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001522933422 922547187 /nfs/dbraw/zinc/54/71/87/922547187.db2.gz ZKDSNMJNHZKNNN-CYBMUJFWSA-N 2 0 286.420 -0.458 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC001523010175 922559047 /nfs/dbraw/zinc/55/90/47/922559047.db2.gz NSAXPVNTBKVSSH-XZUYRWCXSA-N 2 0 253.346 -0.846 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@@H]2[NH2+]CC23CCCC3)C1 ZINC001523011029 922562886 /nfs/dbraw/zinc/56/28/86/922562886.db2.gz YZLNXQVKDDQEBO-SMDDNHRTSA-N 2 0 267.373 -0.169 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCO[C@@H]3C[NH3+])C[C@]2(C)C1 ZINC001523448552 922594938 /nfs/dbraw/zinc/59/49/38/922594938.db2.gz OCGQOTXDTDVTHX-CZXHOFHRSA-N 2 0 267.373 -0.240 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[NH2+]CCO1 ZINC001523507948 922597169 /nfs/dbraw/zinc/59/71/69/922597169.db2.gz ONSPDQUBBLDXDI-LSCVPOLPSA-N 2 0 269.345 -1.000 20 0 CBADRP C[C@H](NC(=O)[C@@H]([NH3+])CC1CC1)[C@H]1C[N@H+](C)CCN1C ZINC001524028840 922613124 /nfs/dbraw/zinc/61/31/24/922613124.db2.gz FHGJDZLZKYKNIC-WCFLWFBJSA-N 2 0 268.405 -0.136 20 0 CBADRP C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@@H]1C[N@H+](C)CCN1C ZINC001524028327 922613471 /nfs/dbraw/zinc/61/34/71/922613471.db2.gz ARCIGYJBRAMBST-QWQWKMKNSA-N 2 0 266.389 -0.513 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21)[C@H]1C[N@H+](C)CCN1C ZINC001524029766 922613903 /nfs/dbraw/zinc/61/39/03/922613903.db2.gz SJNIMEAECGBJBG-KSSYENDESA-N 2 0 266.389 -0.655 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001524028541 922614818 /nfs/dbraw/zinc/61/48/18/922614818.db2.gz CFKFMTFTWWYTQB-SRVKXCTJSA-N 2 0 256.394 -0.408 20 0 CBADRP C[C@H](NC(=O)[C@H]([NH3+])CC1CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001524028838 922615220 /nfs/dbraw/zinc/61/52/20/922615220.db2.gz FHGJDZLZKYKNIC-UHTWSYAYSA-N 2 0 268.405 -0.136 20 0 CBADRP CCN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC001524265832 922629364 /nfs/dbraw/zinc/62/93/64/922629364.db2.gz GBIDIOAQEVMDSN-ZJUUUORDSA-N 2 0 254.334 -0.310 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)C[NH+]1CCCC1 ZINC001526450876 922709120 /nfs/dbraw/zinc/70/91/20/922709120.db2.gz ZOUMOEJNQDZANH-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001534141332 923141162 /nfs/dbraw/zinc/14/11/62/923141162.db2.gz NNJLFLPEFKZTOU-RWMBFGLXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC001548554553 923375340 /nfs/dbraw/zinc/37/53/40/923375340.db2.gz ALELIQUXEOGOIG-NOZJJQNGSA-N 2 0 278.356 -0.118 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001548554136 923375825 /nfs/dbraw/zinc/37/58/25/923375825.db2.gz RNXJDFIDXGIVAM-CRWXNKLISA-N 2 0 299.415 -0.740 20 0 CBADRP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C[C@H](O)C[NH3+])C[C@H](C)O1 ZINC001548551046 923377107 /nfs/dbraw/zinc/37/71/07/923377107.db2.gz LROXOPRXOHQXAO-CRWXNKLISA-N 2 0 299.415 -0.204 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001548554390 923377667 /nfs/dbraw/zinc/37/76/67/923377667.db2.gz GPWFQHAEYKBMGD-JSGCOSHPSA-N 2 0 292.383 -0.053 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCO3)C1 ZINC001548557333 923378794 /nfs/dbraw/zinc/37/87/94/923378794.db2.gz KQWJYNSTOFAFDI-UZWSLXQKSA-N 2 0 253.346 -0.249 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@H]1C[NH2+]CCC1(F)F ZINC001548557208 923379617 /nfs/dbraw/zinc/37/96/17/923379617.db2.gz SYUDDWOTVHAGFN-ONGXEEELSA-N 2 0 277.315 -0.396 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001548555480 923379772 /nfs/dbraw/zinc/37/97/72/923379772.db2.gz RIMBWNJCZBSJAT-AWEZNQCLSA-N 2 0 289.383 -0.366 20 0 CBADRP O=C(N1CCC[C@]2(CC[NH2+]C2)C1)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548556128 923379885 /nfs/dbraw/zinc/37/98/85/923379885.db2.gz BGWUESUJNDFTDY-YUELXQCFSA-N 2 0 279.384 -0.033 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC001548558679 923381714 /nfs/dbraw/zinc/38/17/14/923381714.db2.gz PRPJMUOSCXEWEV-GJZGRUSLSA-N 2 0 288.395 -0.107 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001548557943 923382241 /nfs/dbraw/zinc/38/22/41/923382241.db2.gz QTQCVWINDGLRHB-MDZLAQPJSA-N 2 0 255.362 -0.395 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)CCCO1 ZINC001548562491 923387984 /nfs/dbraw/zinc/38/79/84/923387984.db2.gz QHVKPSMYDFWBJO-RISCZKNCSA-N 2 0 296.371 -0.539 20 0 CBADRP O=C(NCC[C@H]1CSCC[NH2+]1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001548564940 923388880 /nfs/dbraw/zinc/38/88/80/923388880.db2.gz JSIHGXPZKZMYCS-GVXVVHGQSA-N 2 0 285.413 -0.566 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC001548566082 923389280 /nfs/dbraw/zinc/38/92/80/923389280.db2.gz UMDXDOUQOWZZFF-GJZGRUSLSA-N 2 0 288.395 -0.025 20 0 CBADRP CCO[C@@H]1CN(C(=O)C[C@]2(O)CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC001548565298 923389428 /nfs/dbraw/zinc/38/94/28/923389428.db2.gz ILMYTBXKYPVXDK-YRGRVCCFSA-N 2 0 285.388 -0.687 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC001548566081 923389941 /nfs/dbraw/zinc/38/99/41/923389941.db2.gz UMDXDOUQOWZZFF-CABCVRRESA-N 2 0 288.395 -0.025 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001548564832 923390636 /nfs/dbraw/zinc/39/06/36/923390636.db2.gz GZNKSJQUCRZZJS-MXWKQRLJSA-N 2 0 273.402 -0.439 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NCC[C@@H]1CSCC[NH2+]1 ZINC001548565556 923392125 /nfs/dbraw/zinc/39/21/25/923392125.db2.gz NYXYLKOHPWOWOH-LLVKDONJSA-N 2 0 272.418 -0.897 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001548570094 923393270 /nfs/dbraw/zinc/39/32/70/923393270.db2.gz VBVWVMNVLQXYLS-GWCFXTLKSA-N 2 0 294.355 -0.868 20 0 CBADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1CCO3)C2 ZINC001548573597 923397422 /nfs/dbraw/zinc/39/74/22/923397422.db2.gz ITTQTZIMFTYPOT-OXHZDVMGSA-N 2 0 265.357 -0.295 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCO3)C[NH2+]1 ZINC001548575243 923399207 /nfs/dbraw/zinc/39/92/07/923399207.db2.gz YPTHVQHKEJQLQK-NOHGZBONSA-N 2 0 253.346 -0.378 20 0 CBADRP [NH3+]C[C@]1(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)CCCOC1 ZINC001548575186 923399266 /nfs/dbraw/zinc/39/92/66/923399266.db2.gz ZABGGRZALOROSC-TZMCWYRMSA-N 2 0 285.388 -0.685 20 0 CBADRP CC1(C)CN(C(=O)C2=NO[C@H](C[NH3+])C2)CC2(C[NH2+]C2)O1 ZINC001548575785 923399308 /nfs/dbraw/zinc/39/93/08/923399308.db2.gz ITDAHJUWYKVSNZ-VIFPVBQESA-N 2 0 282.344 -0.931 20 0 CBADRP [NH3+]C1(CNC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)CCOCC1 ZINC001548573854 923399836 /nfs/dbraw/zinc/39/98/36/923399836.db2.gz PCGJSAFWTPHFPP-CQSZACIVSA-N 2 0 296.371 -0.491 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548575578 923400240 /nfs/dbraw/zinc/40/02/40/923400240.db2.gz FTGCQZPEPSQHGS-MNOVXSKESA-N 2 0 285.388 -0.818 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001548574748 923401041 /nfs/dbraw/zinc/40/10/41/923401041.db2.gz JOZSFTQXLJHELT-JSGCOSHPSA-N 2 0 285.388 -0.936 20 0 CBADRP [NH3+]C[C@@]1(C(=O)N2CCC[C@H]([NH2+]CCO)C2)CCCOC1 ZINC001548575184 923401190 /nfs/dbraw/zinc/40/11/90/923401190.db2.gz ZABGGRZALOROSC-JSGCOSHPSA-N 2 0 285.388 -0.685 20 0 CBADRP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001548574966 923401198 /nfs/dbraw/zinc/40/11/98/923401198.db2.gz PVCCXNWKSGANTP-VNHYZAJKSA-N 2 0 281.400 -0.051 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548575577 923401370 /nfs/dbraw/zinc/40/13/70/923401370.db2.gz FTGCQZPEPSQHGS-GHMZBOCLSA-N 2 0 285.388 -0.818 20 0 CBADRP CC1(C)CN(C(=O)[C@]2(C[NH3+])CCCOC2)CC2(C[NH2+]C2)O1 ZINC001548577327 923402133 /nfs/dbraw/zinc/40/21/33/923402133.db2.gz ZHBRGJNYTXGJTP-AWEZNQCLSA-N 2 0 297.399 -0.279 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548578993 923402811 /nfs/dbraw/zinc/40/28/11/923402811.db2.gz OKPJISCOBDQWHC-JTQLQIEISA-N 2 0 267.373 -0.036 20 0 CBADRP C[NH2+][C@@H](C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1cnn(C)c1 ZINC001548581644 923407932 /nfs/dbraw/zinc/40/79/32/923407932.db2.gz NWVBNGMMSXKLLL-OUCADQQQSA-N 2 0 277.372 -0.252 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH+]1CCCCC1 ZINC001548625878 923412323 /nfs/dbraw/zinc/41/23/23/923412323.db2.gz RJDUICWMPUWRFQ-KGLIPLIRSA-N 2 0 280.416 -0.023 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001548623848 923412483 /nfs/dbraw/zinc/41/24/83/923412483.db2.gz HMGZMQMAAZYAST-ZIAGYGMSSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001548645010 923428445 /nfs/dbraw/zinc/42/84/45/923428445.db2.gz WXZLFTWFTXQPKL-JSGCOSHPSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)CC[NH+](C)C1CC1 ZINC001548687842 923448218 /nfs/dbraw/zinc/44/82/18/923448218.db2.gz OWZFYXFDPQTMJS-JSGCOSHPSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)CC[NH+](C)C1CC1 ZINC001548687844 923450502 /nfs/dbraw/zinc/45/05/02/923450502.db2.gz OWZFYXFDPQTMJS-TZMCWYRMSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH+]1CCCOCC1 ZINC001548689891 923455069 /nfs/dbraw/zinc/45/50/69/923455069.db2.gz IUWLKYYCRYPZMM-KGLIPLIRSA-N 2 0 296.415 -0.787 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC001548695908 923459588 /nfs/dbraw/zinc/45/95/88/923459588.db2.gz VTQYILQGQIJLIP-IGQOVBAYSA-N 2 0 278.400 -0.605 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC001548699346 923459677 /nfs/dbraw/zinc/45/96/77/923459677.db2.gz CCUOJHAZYRHCSV-OLZOCXBDSA-N 2 0 280.416 -0.073 20 0 CBADRP C[NH+](C)C[C@]1(O)CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001548743033 923491428 /nfs/dbraw/zinc/49/14/28/923491428.db2.gz CZFAZXXHKQNOOK-OAHLLOKOSA-N 2 0 299.415 -0.378 20 0 CBADRP C[NH+](C)C[C@]1(O)CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC001548749663 923494297 /nfs/dbraw/zinc/49/42/97/923494297.db2.gz CSCBZSVSAFCDKS-UKRRQHHQSA-N 2 0 297.399 -0.768 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@](O)(C[NH+](C)C)C2)C1 ZINC001548750070 923494481 /nfs/dbraw/zinc/49/44/81/923494481.db2.gz MJBNSMAQOHNSDD-JSGCOSHPSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001548951100 923518463 /nfs/dbraw/zinc/51/84/63/923518463.db2.gz MSAFTPVEYGHNQN-MGAJPHDKSA-N 2 0 277.372 -0.471 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC001549032536 923525543 /nfs/dbraw/zinc/52/55/43/923525543.db2.gz YPYYWIVOAWUBBO-RISCZKNCSA-N 2 0 280.372 -0.791 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC001549032535 923525582 /nfs/dbraw/zinc/52/55/82/923525582.db2.gz YPYYWIVOAWUBBO-FZMZJTMJSA-N 2 0 280.372 -0.791 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549033386 923525686 /nfs/dbraw/zinc/52/56/86/923525686.db2.gz GACIUBZTQRYQKB-UTUOFQBUSA-N 2 0 265.361 -0.344 20 0 CBADRP O=C(CC1CC[NH2+]CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549044533 923528789 /nfs/dbraw/zinc/52/87/89/923528789.db2.gz UKVOZIWQOGBGJM-AWEZNQCLSA-N 2 0 280.416 -0.118 20 0 CBADRP O=C(CC1CC[NH2+]CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549044534 923529660 /nfs/dbraw/zinc/52/96/60/923529660.db2.gz UKVOZIWQOGBGJM-CQSZACIVSA-N 2 0 280.416 -0.118 20 0 CBADRP CC(C)(C)[C@@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549044523 923529962 /nfs/dbraw/zinc/52/99/62/923529962.db2.gz UFUORWCVYJJPIS-NEPJUHHUSA-N 2 0 268.405 -0.134 20 0 CBADRP COC1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC001549044216 923531096 /nfs/dbraw/zinc/53/10/96/923531096.db2.gz CCMRSLQMPAJMAJ-CYBMUJFWSA-N 2 0 296.415 -0.739 20 0 CBADRP O=C(CC[C@@H]1CC[NH2+]C1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549045033 923534015 /nfs/dbraw/zinc/53/40/15/923534015.db2.gz RBMBNDAMHDKQJG-JHJVBQTASA-N 2 0 267.373 -0.035 20 0 CBADRP O=C([C@@H]1C[C@@H]2C[C@@H]2[NH2+]1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549044835 923534229 /nfs/dbraw/zinc/53/42/29/923534229.db2.gz KZWGDZWKZQMCGI-UHFZAUJKSA-N 2 0 251.330 -0.674 20 0 CBADRP [NH3+]CCc1nc(C(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)cs1 ZINC001549045151 923534937 /nfs/dbraw/zinc/53/49/37/923534937.db2.gz YSFFKVDLJPNTNR-MWLCHTKSSA-N 2 0 296.396 -0.153 20 0 CBADRP [NH3+][C@H](CC(F)F)C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549044792 923535178 /nfs/dbraw/zinc/53/51/78/923535178.db2.gz GYOAACNHUFRSRH-HLTSFMKQSA-N 2 0 263.288 -0.442 20 0 CBADRP COCC1(C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)CC[NH2+]CC1 ZINC001549045174 923535332 /nfs/dbraw/zinc/53/53/32/923535332.db2.gz ZRSBBULAEWXYTC-OLZOCXBDSA-N 2 0 297.399 -0.408 20 0 CBADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549044788 923535607 /nfs/dbraw/zinc/53/56/07/923535607.db2.gz GWRDOIOLZFPKAH-FMSGJZPZSA-N 2 0 265.357 -0.425 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549045697 923539723 /nfs/dbraw/zinc/53/97/23/923539723.db2.gz HEQRWZIAZRSKMD-ZDUSSCGKSA-N 2 0 296.415 -0.739 20 0 CBADRP [NH3+][C@@H](C(=O)NC[C@H]1C[NH2+]CCCO1)C1CCOCC1 ZINC001549046127 923540166 /nfs/dbraw/zinc/54/01/66/923540166.db2.gz IERRVCOQTGEXHI-VXGBXAGGSA-N 2 0 271.361 -0.765 20 0 CBADRP O=C(C1CC[NH2+]CC1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549045192 923540593 /nfs/dbraw/zinc/54/05/93/923540593.db2.gz KBPULRMFOVLBIA-NWDGAFQWSA-N 2 0 253.346 -0.425 20 0 CBADRP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549045549 923541318 /nfs/dbraw/zinc/54/13/18/923541318.db2.gz DFTNWLWUHNPAMF-KGLIPLIRSA-N 2 0 292.427 -0.118 20 0 CBADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC001549047299 923543832 /nfs/dbraw/zinc/54/38/32/923543832.db2.gz NVTOUSIBJHEFQV-YIYPIFLZSA-N 2 0 297.399 -0.546 20 0 CBADRP COC1(C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[NH2+]CC1 ZINC001549046843 923544623 /nfs/dbraw/zinc/54/46/23/923544623.db2.gz BFDCQHKLWYOXKL-NSHDSACASA-N 2 0 271.361 -0.669 20 0 CBADRP C[NH2+]CCC(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549049223 923546458 /nfs/dbraw/zinc/54/64/58/923546458.db2.gz DBLUBEJWICCVNC-MNOVXSKESA-N 2 0 251.334 -0.717 20 0 CBADRP C[C@]1(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC[NH2+]C1 ZINC001549047687 923547883 /nfs/dbraw/zinc/54/78/83/923547883.db2.gz WKRSZCMKHSVKTC-OCCSQVGLSA-N 2 0 292.387 -0.100 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C3([NH3+])CCCC3)C[C@@H]2[NH3+])cn1 ZINC001549048478 923548046 /nfs/dbraw/zinc/54/80/46/923548046.db2.gz MLUSVHHTTOXHAR-RYUDHWBXSA-N 2 0 277.372 -0.055 20 0 CBADRP COCC1(C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[NH2+]CC1 ZINC001549052080 923548944 /nfs/dbraw/zinc/54/89/44/923548944.db2.gz YQBGQUXSQVMELF-LBPRGKRZSA-N 2 0 285.388 -0.421 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)C[NH2+]C3CC3)C[C@H]2[NH3+])cn1 ZINC001549049807 923549967 /nfs/dbraw/zinc/54/99/67/923549967.db2.gz IGESBUOFQDFYGR-VXGBXAGGSA-N 2 0 263.345 -0.575 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)C[C@@H]2[NH3+])cn1 ZINC001549050953 923550118 /nfs/dbraw/zinc/55/01/18/923550118.db2.gz QUUXQHWDRGJVLR-IXOXFDKPSA-N 2 0 277.372 -0.199 20 0 CBADRP [NH3+]CCc1nc(C(=O)N2CCCO[C@H](C[NH3+])C2)cs1 ZINC001549052251 923550276 /nfs/dbraw/zinc/55/02/76/923550276.db2.gz ZVJCUFPKQKGTSB-SECBINFHSA-N 2 0 284.385 -0.166 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)C[C@@H]2[NH3+])cn1 ZINC001549050985 923550516 /nfs/dbraw/zinc/55/05/16/923550516.db2.gz QUUXQHWDRGJVLR-XEZLXBQYSA-N 2 0 277.372 -0.199 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001549052071 923550567 /nfs/dbraw/zinc/55/05/67/923550567.db2.gz VUAOFMMCDNDQEX-BQUFFADESA-N 2 0 277.372 -0.329 20 0 CBADRP [NH3+]C1(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CCOCC1 ZINC001549050750 923551028 /nfs/dbraw/zinc/55/10/28/923551028.db2.gz QXUYUHFZZPZZOP-GFCCVEGCSA-N 2 0 253.346 -0.151 20 0 CBADRP [NH3+]CCc1nc(C(=O)N2CCCO[C@@H](C[NH3+])C2)cs1 ZINC001549052252 923551210 /nfs/dbraw/zinc/55/12/10/923551210.db2.gz ZVJCUFPKQKGTSB-VIFPVBQESA-N 2 0 284.385 -0.166 20 0 CBADRP [NH3+]C[C@@]12CCC[C@H]1C[N@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC001549114831 923556380 /nfs/dbraw/zinc/55/63/80/923556380.db2.gz BYXMLPZBSQEZTE-DZGCQCFKSA-N 3 0 280.416 -0.131 20 0 CBADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)[C@H]2C1 ZINC001549126039 923559248 /nfs/dbraw/zinc/55/92/48/923559248.db2.gz YYNUKXUYABSXMS-OSFYFWSMSA-N 2 0 295.383 -0.846 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)[C@@H]3C[NH2+]CCO3)C2)C1 ZINC001549123965 923559283 /nfs/dbraw/zinc/55/92/83/923559283.db2.gz KEMYJBGGYCTDBC-CRWXNKLISA-N 2 0 297.399 -0.280 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)[C@@]13C[NH2+]C[C@@H]1COC3)C2 ZINC001549130456 923561255 /nfs/dbraw/zinc/56/12/55/923561255.db2.gz WDRGZXDFVVYRRK-RJZRQDKASA-N 2 0 279.384 -0.190 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549171981 923566545 /nfs/dbraw/zinc/56/65/45/923566545.db2.gz KEWLYHVJTFJDPO-XQQFMLRXSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC001549212003 923570354 /nfs/dbraw/zinc/57/03/54/923570354.db2.gz RSYXYIGICJEEPZ-SDFYHXNISA-N 2 0 296.415 -0.165 20 0 CBADRP CN(C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CC[N@H+](C)C1 ZINC001549211092 923571580 /nfs/dbraw/zinc/57/15/80/923571580.db2.gz TYTYDBMYBDJQGU-NEPJUHHUSA-N 2 0 270.377 -0.290 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCCC[NH2+]C2)CCCO1 ZINC001549286996 923575883 /nfs/dbraw/zinc/57/58/83/923575883.db2.gz OQUJAAAJVHMYRM-NEPJUHHUSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]C2)CCCO1 ZINC001549286997 923577386 /nfs/dbraw/zinc/57/73/86/923577386.db2.gz OQUJAAAJVHMYRM-NWDGAFQWSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N2C[C@H]3CCC[C@]3(C[NH3+])C2)O1 ZINC001549287036 923578509 /nfs/dbraw/zinc/57/85/09/923578509.db2.gz HCKXAVSVQVYGEE-BYNQJWBRSA-N 2 0 267.373 -0.049 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001549290041 923579083 /nfs/dbraw/zinc/57/90/83/923579083.db2.gz JAKGHNIYGXITIR-QYABHDJLSA-N 2 0 251.330 -0.909 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[C@H]3[NH3+])C[C@H]2[NH3+])cn1 ZINC001549291712 923580178 /nfs/dbraw/zinc/58/01/78/923580178.db2.gz DJANHWSURPTRPC-YVECIDJPSA-N 2 0 277.372 -0.199 20 0 CBADRP [NH3+][C@H]1CN(C(=O)C2(O)C[NH2+]C2)C[C@@H]1c1ccccc1F ZINC001549292218 923580214 /nfs/dbraw/zinc/58/02/14/923580214.db2.gz PBXNNNJVKOXSOH-PWSUYJOCSA-N 2 0 279.315 -0.587 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C[C@H]1F)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549291085 923580258 /nfs/dbraw/zinc/58/02/58/923580258.db2.gz WNBVIRYYNROZLE-BFHYXJOUSA-N 2 0 298.406 -0.170 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)nn1 ZINC001549292588 923580418 /nfs/dbraw/zinc/58/04/18/923580418.db2.gz FRLDCQWCMOOCFG-DGCLKSJQSA-N 2 0 292.387 -0.159 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C3(O)C[NH2+]C3)C2)C1 ZINC001549291850 923580986 /nfs/dbraw/zinc/58/09/86/923580986.db2.gz DRXYMXAHQPLVOT-TUAOUCFPSA-N 2 0 283.372 -0.934 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)nn1 ZINC001549292571 923581281 /nfs/dbraw/zinc/58/12/81/923581281.db2.gz FRLDCQWCMOOCFG-AAEUAGOBSA-N 2 0 292.387 -0.159 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CCCO1 ZINC001549292821 923581671 /nfs/dbraw/zinc/58/16/71/923581671.db2.gz SCXBCOWSSKJKLR-WDEREUQCSA-N 2 0 293.371 -0.324 20 0 CBADRP O=C([C@@H]1CCCC[NH2+]C1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549292335 923581834 /nfs/dbraw/zinc/58/18/34/923581834.db2.gz AWBOHAUZGKZPTP-UPJWGTAASA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)C3(O)C[NH2+]C3)CC2)C1 ZINC001549291861 923581924 /nfs/dbraw/zinc/58/19/24/923581924.db2.gz LTNWLCXFKHZMLM-NWDGAFQWSA-N 2 0 283.372 -0.934 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)nn1 ZINC001549293424 923582420 /nfs/dbraw/zinc/58/24/20/923582420.db2.gz VNOUNBGSSFPSAZ-GFCCVEGCSA-N 2 0 264.333 -0.795 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C2(O)C[NH2+]C2)C[C@@H]1c1ccc(F)cc1 ZINC001549294028 923584033 /nfs/dbraw/zinc/58/40/33/923584033.db2.gz OQDGRYPCJILZMH-VXGBXAGGSA-N 2 0 279.315 -0.587 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C2(O)C[NH2+]C2)C[C@H]1c1ccc(F)cc1 ZINC001549294024 923585358 /nfs/dbraw/zinc/58/53/58/923585358.db2.gz OQDGRYPCJILZMH-NWDGAFQWSA-N 2 0 279.315 -0.587 20 0 CBADRP Cc1c(C(=O)N2CC3CC2(C[NH3+])C3)nnn1[C@H]1CC[NH2+]C1 ZINC001549298176 923585831 /nfs/dbraw/zinc/58/58/31/923585831.db2.gz BMBMABVRELWZLH-CVZZAPKMSA-N 2 0 290.371 -0.316 20 0 CBADRP Cc1c(C(=O)NCC23CC(C2)C[NH2+]3)nnn1[C@H]1CC[NH2+]C1 ZINC001549299814 923588998 /nfs/dbraw/zinc/58/89/98/923588998.db2.gz KLZLUTYPQZAJDY-CVZZAPKMSA-N 2 0 290.371 -0.397 20 0 CBADRP CC(C)([NH3+])C(=O)NCc1cccc(N2CC[C@H]([NH3+])C2)n1 ZINC001549726408 923630095 /nfs/dbraw/zinc/63/00/95/923630095.db2.gz ISVBGQBYSGXDRX-JTQLQIEISA-N 2 0 277.372 -0.028 20 0 CBADRP [NH3+][C@@H]1CCN(c2cccc(CNC(=O)C3([NH3+])CC3)n2)C1 ZINC001549725561 923630354 /nfs/dbraw/zinc/63/03/54/923630354.db2.gz ARIMHCBVTQUCMY-SNVBAGLBSA-N 2 0 275.356 -0.274 20 0 CBADRP [NH3+][C@@H]1C[C@H]1C(=O)NCc1ccncc1O[C@H]1CC[NH2+]C1 ZINC001549720449 923630687 /nfs/dbraw/zinc/63/06/87/923630687.db2.gz DLZJOHRTTBVIFP-QJPTWQEYSA-N 2 0 276.340 -0.214 20 0 CBADRP C[C@H]([NH3+])CC(=O)NCc1cccc(N2CC[C@@H]([NH3+])C2)n1 ZINC001549726419 923630918 /nfs/dbraw/zinc/63/09/18/923630918.db2.gz JRTJZRFWGFKNJA-WDEREUQCSA-N 2 0 277.372 -0.028 20 0 CBADRP C[C@H]([NH3+])C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549729051 923632174 /nfs/dbraw/zinc/63/21/74/923632174.db2.gz XXLCKHISFPJGPM-PEXQALLHSA-N 2 0 268.361 -0.903 20 0 CBADRP C[C@H](C[NH3+])C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549732227 923632542 /nfs/dbraw/zinc/63/25/42/923632542.db2.gz QRQANMLGIKRZSX-CDMKHQONSA-N 2 0 282.388 -0.656 20 0 CBADRP [NH3+]C1(CC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001549729352 923633410 /nfs/dbraw/zinc/63/34/10/923633410.db2.gz BKGFJFZEEAHRDS-SMDDNHRTSA-N 2 0 294.399 -0.369 20 0 CBADRP C[NH2+][C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH3+])C1 ZINC001549731951 923634002 /nfs/dbraw/zinc/63/40/02/923634002.db2.gz BXHSOSXNGROTPF-OPRDCNLKSA-N 2 0 251.334 -0.719 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549730380 923634077 /nfs/dbraw/zinc/63/40/77/923634077.db2.gz IUDIJGWZJXERBM-NVBFEUDRSA-N 2 0 296.415 -0.123 20 0 CBADRP C[NH2+]CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH3+])C1 ZINC001549735907 923635494 /nfs/dbraw/zinc/63/54/94/923635494.db2.gz HGFCPRGUGYJRPI-NXEZZACHSA-N 2 0 251.334 -0.717 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)CC(C)(C)[NH3+])C[C@@H]2[NH3+])c1 ZINC001549735011 923635569 /nfs/dbraw/zinc/63/55/69/923635569.db2.gz IMRWPCSMAHWABF-ZJUUUORDSA-N 2 0 265.361 -0.199 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549741262 923638622 /nfs/dbraw/zinc/63/86/22/923638622.db2.gz YTAZWYROVNKBAA-AXFHLTTASA-N 2 0 265.361 -0.329 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]([NH3+])C3CCC3)C[C@H]2[NH3+])c1 ZINC001549740366 923638749 /nfs/dbraw/zinc/63/87/49/923638749.db2.gz OYBRWQMXDFAHGX-WZRBSPASSA-N 2 0 277.372 -0.199 20 0 CBADRP Cn1cnc([C@H]2CN(C(=O)CC3([NH3+])CC3)C[C@H]2[NH3+])c1 ZINC001549740662 923638888 /nfs/dbraw/zinc/63/88/88/923638888.db2.gz XJDHUUHKCVQQBH-VHSXEESVSA-N 2 0 263.345 -0.445 20 0 CBADRP C[NH2+][C@H](C)C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549740835 923639633 /nfs/dbraw/zinc/63/96/33/923639633.db2.gz RAEMCBRYJCAPMP-CDMKHQONSA-N 2 0 282.388 -0.643 20 0 CBADRP [NH3+]Cc1ccc2c(c1)N(CC(=O)N1CC[NH2+]CC1)CCO2 ZINC001549774382 923641304 /nfs/dbraw/zinc/64/13/04/923641304.db2.gz QUCZBIPBTYJKNT-UHFFFAOYSA-N 2 0 290.367 -0.224 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1 ZINC001549750205 923642933 /nfs/dbraw/zinc/64/29/33/923642933.db2.gz ZDQWSCBBHKFXJQ-YFKTTZPYSA-N 2 0 277.372 -0.329 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@H]3C[NH3+])CC[C@@H]21 ZINC001549883665 923643897 /nfs/dbraw/zinc/64/38/97/923643897.db2.gz VROGXJJOFUOARI-QNWHQSFQSA-N 2 0 267.373 -0.097 20 0 CBADRP CC(=O)N1CC[C@]([NH3+])(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC001549900139 923645524 /nfs/dbraw/zinc/64/55/24/923645524.db2.gz AKGKASLIKIUVSP-IUODEOHRSA-N 2 0 296.415 -0.170 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@]23CCC[C@H]2C[NH2+]C3)CCCO1 ZINC001549902283 923647913 /nfs/dbraw/zinc/64/79/13/923647913.db2.gz WZGHEDASXHQAEG-OUCADQQQSA-N 2 0 267.373 -0.048 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC001549901500 923648753 /nfs/dbraw/zinc/64/87/53/923648753.db2.gz AOURAVJGXDEQRY-DYEKYZERSA-N 2 0 267.373 -0.129 20 0 CBADRP C[C@H](C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001549995597 923659730 /nfs/dbraw/zinc/65/97/30/923659730.db2.gz KOSKGEFQSZGCHR-OLZOCXBDSA-N 2 0 268.405 -0.215 20 0 CBADRP C[C@@H](C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)[NH+](C)C ZINC001550062314 923661846 /nfs/dbraw/zinc/66/18/46/923661846.db2.gz FVWCMARFMDDVHD-JQWIXIFHSA-N 2 0 280.376 -0.150 20 0 CBADRP O=C(CCC1C[NH2+]C1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001550061181 923662495 /nfs/dbraw/zinc/66/24/95/923662495.db2.gz WKNZBPXHSXQXFP-NWDGAFQWSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)C1(F)F ZINC001550060326 923663829 /nfs/dbraw/zinc/66/38/29/923663829.db2.gz IGQHFFPDJJKIIV-XFWSIPNHSA-N 2 0 275.299 -0.584 20 0 CBADRP [NH3+]C[C@@H]1[C@@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1(F)F ZINC001550060699 923664293 /nfs/dbraw/zinc/66/42/93/923664293.db2.gz SZXNZWYMAJVKQO-MXWKQRLJSA-N 2 0 288.342 -0.668 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC001550074010 923666124 /nfs/dbraw/zinc/66/61/24/923666124.db2.gz RRSNSAZQZWLNTM-AXFHLTTASA-N 2 0 253.346 -0.236 20 0 CBADRP CC(=O)N1CC[C@@]([NH3+])(C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC001550073313 923666926 /nfs/dbraw/zinc/66/69/26/923666926.db2.gz KBNSVSUUWPMZQJ-AAEUAGOBSA-N 2 0 280.372 -0.663 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](C(=O)N[C@@H]2CC[NH2+]C23CCC3)O1 ZINC001550073596 923667513 /nfs/dbraw/zinc/66/75/13/923667513.db2.gz WSGCKDKTLJDIPF-OUAUKWLOSA-N 2 0 253.346 -0.236 20 0 CBADRP [NH3+][C@@H](Cc1ncccn1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001550073444 923667662 /nfs/dbraw/zinc/66/76/62/923667662.db2.gz AJMCXVBKSPLYNZ-QWRGUYRKSA-N 2 0 275.356 -0.253 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C(=O)NC[C@@H]2CC23CC[NH2+]CC3)O1 ZINC001550083244 923668690 /nfs/dbraw/zinc/66/86/90/923668690.db2.gz YZAJGIBVAPTWLW-GRYCIOLGSA-N 2 0 267.373 -0.131 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2CC23CC[NH2+]CC3)C[NH2+]CCO1 ZINC001550080923 923670276 /nfs/dbraw/zinc/67/02/76/923670276.db2.gz NELBUFAHFUEFIO-DGCLKSJQSA-N 2 0 267.373 -0.129 20 0 CBADRP [NH3+][C@@H](Cc1ncccn1)C(=O)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550083478 923670448 /nfs/dbraw/zinc/67/04/48/923670448.db2.gz ZKINMEFFRSIWDW-RYUDHWBXSA-N 2 0 289.383 -0.148 20 0 CBADRP [NH3+][C@H](Cc1ncccn1)C(=O)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550083475 923670482 /nfs/dbraw/zinc/67/04/82/923670482.db2.gz ZKINMEFFRSIWDW-NWDGAFQWSA-N 2 0 289.383 -0.148 20 0 CBADRP [NH3+][C@H](Cc1ncccn1)C(=O)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550083479 923670647 /nfs/dbraw/zinc/67/06/47/923670647.db2.gz ZKINMEFFRSIWDW-VXGBXAGGSA-N 2 0 289.383 -0.148 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550084318 923670693 /nfs/dbraw/zinc/67/06/93/923670693.db2.gz YNADSWRYUAEFJH-LBPRGKRZSA-N 2 0 266.389 -0.603 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550081009 923670725 /nfs/dbraw/zinc/67/07/25/923670725.db2.gz JPCGUSHRUVKIQV-NSHDSACASA-N 2 0 277.372 -0.002 20 0 CBADRP C[C@]1(C(=O)NC[C@@H]2CC23CC[NH2+]CC3)C[NH2+]CCO1 ZINC001550080926 923670933 /nfs/dbraw/zinc/67/09/33/923670933.db2.gz NELBUFAHFUEFIO-WCQYABFASA-N 2 0 267.373 -0.129 20 0 CBADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@@H]1CCCCC[NH2+]1 ZINC001550087605 923671453 /nfs/dbraw/zinc/67/14/53/923671453.db2.gz YZSFYTVPDPXNIZ-STQMWFEESA-N 2 0 292.387 -0.039 20 0 CBADRP CC(C)[NH2+]CC(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087663 923671604 /nfs/dbraw/zinc/67/16/04/923671604.db2.gz IBUMIHVITQTFFG-NSHDSACASA-N 2 0 266.349 -0.573 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]1)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550088307 923672619 /nfs/dbraw/zinc/67/26/19/923672619.db2.gz MQNLHPJUDPAFMB-CMPLNLGQSA-N 2 0 278.360 -0.429 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087396 923672718 /nfs/dbraw/zinc/67/27/18/923672718.db2.gz RRWLPMPTEYYGFI-WCFLWFBJSA-N 2 0 292.387 -0.183 20 0 CBADRP C[C@@]1(C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)CCC[NH2+]1 ZINC001550087185 923672807 /nfs/dbraw/zinc/67/28/07/923672807.db2.gz PVSKMWANXYLNKG-AAEUAGOBSA-N 2 0 278.360 -0.429 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087531 923672977 /nfs/dbraw/zinc/67/29/77/923672977.db2.gz WUFLRSAKXSEVSR-GRYCIOLGSA-N 2 0 278.360 -0.444 20 0 CBADRP CC(C)(C)[C@@H]([NH3+])C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087480 923673077 /nfs/dbraw/zinc/67/30/77/923673077.db2.gz VOJQEIRJVFXLHA-MNOVXSKESA-N 2 0 280.376 -0.198 20 0 CBADRP C[NH+](C)CC1(C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC001550088159 923673138 /nfs/dbraw/zinc/67/31/38/923673138.db2.gz NITGVSKSSXBXCX-LBPRGKRZSA-N 2 0 292.387 -0.230 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087393 923673285 /nfs/dbraw/zinc/67/32/85/923673285.db2.gz RRWLPMPTEYYGFI-DRZSPHRISA-N 2 0 292.387 -0.183 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001550090099 923674715 /nfs/dbraw/zinc/67/47/15/923674715.db2.gz TWQFOKIFDGAKQZ-IHRRRGAJSA-N 2 0 297.399 -0.674 20 0 CBADRP CCC[C@H]([NH3+])C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550088492 923674874 /nfs/dbraw/zinc/67/48/74/923674874.db2.gz PUXAPKGCSOKIJI-MNOVXSKESA-N 2 0 266.349 -0.444 20 0 CBADRP CC(C)([NH3+])CC(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550088946 923675012 /nfs/dbraw/zinc/67/50/12/923675012.db2.gz ZBRHQIYYCSBBBD-JTQLQIEISA-N 2 0 266.349 -0.444 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001550094846 923677899 /nfs/dbraw/zinc/67/78/99/923677899.db2.gz AGHIVKZEHHCJEY-JOYOIKCWSA-N 2 0 278.360 -0.349 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC001550095997 923677950 /nfs/dbraw/zinc/67/79/50/923677950.db2.gz SUDKKXJQRWUODY-LBPRGKRZSA-N 2 0 292.387 -0.148 20 0 CBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)C3([NH3+])CC3)CC2)C1=O ZINC001550092839 923678547 /nfs/dbraw/zinc/67/85/47/923678547.db2.gz OWPTTWHSRNQEGJ-NSHDSACASA-N 2 0 280.372 -0.711 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001550096311 923678729 /nfs/dbraw/zinc/67/87/29/923678729.db2.gz KFUPHUPMZHNLDA-WCQGTBRESA-N 2 0 278.360 -0.492 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001550096102 923678758 /nfs/dbraw/zinc/67/87/58/923678758.db2.gz VTRRNYGJHKZMIP-KOLCDFICSA-N 2 0 266.349 -0.492 20 0 CBADRP C[C@]1(C(=O)N2CC[C@H](n3cc(C[NH3+])nn3)C2)CCC[NH2+]C1 ZINC001550094644 923678814 /nfs/dbraw/zinc/67/88/14/923678814.db2.gz XQADHHABHPWCPB-JSGCOSHPSA-N 2 0 292.387 -0.100 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001550093146 923679573 /nfs/dbraw/zinc/67/95/73/923679573.db2.gz XPNUPIBGYDJKLV-DGCLKSJQSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001550093090 923680238 /nfs/dbraw/zinc/68/02/38/923680238.db2.gz UALAYIRUCGZARQ-DGCLKSJQSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[NH2+]CC(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001550097501 923681570 /nfs/dbraw/zinc/68/15/70/923681570.db2.gz RCEKHLMHUUZHAA-JTQLQIEISA-N 2 0 252.322 -0.880 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@H](n3cc(C[NH3+])nn3)C2)CC[NH2+]C1 ZINC001550097331 923682209 /nfs/dbraw/zinc/68/22/09/923682209.db2.gz KMWUUMXIAKKUTH-YPMHNXCESA-N 2 0 278.360 -0.490 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550104026 923683823 /nfs/dbraw/zinc/68/38/23/923683823.db2.gz CERKAKRVQZJBTR-XETPVMHDSA-N 2 0 267.373 -0.003 20 0 CBADRP [NH3+]C[C@H]1CCO[C@H]1C(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550104023 923683873 /nfs/dbraw/zinc/68/38/73/923683873.db2.gz CERKAKRVQZJBTR-FOMPKITHSA-N 2 0 267.373 -0.003 20 0 CBADRP COC[C@]1(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]CCO1 ZINC001550105858 923684478 /nfs/dbraw/zinc/68/44/78/923684478.db2.gz PHTHJGMUULVMJS-FLTXBFBQSA-N 2 0 297.399 -0.362 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(CC[NH3+])nn3)CC[C@H]21 ZINC001550104399 923684762 /nfs/dbraw/zinc/68/47/62/923684762.db2.gz MQWVEHJGJPESJH-ZYHUDNBSSA-N 2 0 278.360 -0.597 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001550107817 923686192 /nfs/dbraw/zinc/68/61/92/923686192.db2.gz MQDYSBKDZFXELS-QJPTWQEYSA-N 2 0 280.372 -0.793 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550112523 923687603 /nfs/dbraw/zinc/68/76/03/923687603.db2.gz NAPGTDVDPJRSSO-ZDUSSCGKSA-N 2 0 296.415 -0.834 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001550110108 923687674 /nfs/dbraw/zinc/68/76/74/923687674.db2.gz FAMHXHYXQVQREG-NTZNESFSSA-N 2 0 290.371 -0.221 20 0 CBADRP C[C@]12C[NH2+]C[C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1COC3)C2 ZINC001550117424 923689675 /nfs/dbraw/zinc/68/96/75/923689675.db2.gz SOYFUKVMWSCPHH-WVWOOGAGSA-N 2 0 265.357 -0.710 20 0 CBADRP [NH3+]CC12CC(NC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)(C1)C2 ZINC001550118202 923689849 /nfs/dbraw/zinc/68/98/49/923689849.db2.gz PXRSHIFWEVDWFD-UJLSLHKQSA-N 2 0 265.357 -0.153 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550117322 923690096 /nfs/dbraw/zinc/69/00/96/923690096.db2.gz YIIZUWNBLCEZMM-TZMCWYRMSA-N 2 0 280.416 -0.025 20 0 CBADRP COC[C@]1(C(=O)NC23CC(C[NH3+])(C2)C3)CCC[NH2+]1 ZINC001550119275 923690768 /nfs/dbraw/zinc/69/07/68/923690768.db2.gz YBDFLXZPOQBJFB-BPCQOVAHSA-N 2 0 253.346 -0.247 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550116817 923692189 /nfs/dbraw/zinc/69/21/89/923692189.db2.gz RYBGTPAGCNGPOI-STQMWFEESA-N 2 0 268.405 -0.167 20 0 CBADRP [NH3+]CC12CC(NC(=O)c3ncn([C@@H]4CCC[NH2+]C4)n3)(C1)C2 ZINC001550119852 923695251 /nfs/dbraw/zinc/69/52/51/923695251.db2.gz XXXRHFUDBISLGB-GWMXKSKGSA-N 2 0 290.371 -0.186 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550194983 923709530 /nfs/dbraw/zinc/70/95/30/923709530.db2.gz TXKJJKNDDSAJLU-QWRGUYRKSA-N 2 0 271.361 -0.765 20 0 CBADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC001550204862 923710125 /nfs/dbraw/zinc/71/01/25/923710125.db2.gz UATYXVKIPQIBLF-NEPJUHHUSA-N 2 0 294.399 -0.334 20 0 CBADRP COC[C@@H]([NH3+])C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001550238315 923712222 /nfs/dbraw/zinc/71/22/22/923712222.db2.gz HSMFIBOMYNMYEL-DGCLKSJQSA-N 2 0 255.362 -0.048 20 0 CBADRP N[C@@H]1CN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C[C@@H]1[NH3+] ZINC001550267344 923713243 /nfs/dbraw/zinc/71/32/43/923713243.db2.gz UUOCKGXCXSFESH-MJBXVCDLSA-N 2 0 289.383 -0.447 20 0 CBADRP [NH3+][C@@H]1COCCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC001550269055 923714038 /nfs/dbraw/zinc/71/40/38/923714038.db2.gz IQLXQILBNVSLPV-YZRBJQDESA-N 2 0 254.334 -0.893 20 0 CBADRP [NH3+]C[C@@]12CCC[C@H]1CN(S(=O)(=O)N1CC[NH2+]CC1)C2 ZINC001550440057 923730782 /nfs/dbraw/zinc/73/07/82/923730782.db2.gz UQTGUWOCMPCBJH-NWDGAFQWSA-N 2 0 288.417 -0.803 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001550720830 923737064 /nfs/dbraw/zinc/73/70/64/923737064.db2.gz MFMFMCVKLALEQH-KQLNHAPESA-N 2 0 251.330 -0.626 20 0 CBADRP O[C@@H]1C[C@@H]2CN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CC[N@@H+]2C1 ZINC001550701606 923737430 /nfs/dbraw/zinc/73/74/30/923737430.db2.gz GQTWUGJCSYCXMU-RBSFLKMASA-N 2 0 295.427 -0.104 20 0 CBADRP O[C@@H]1C[C@@H]2CN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC[N@@H+]2C1 ZINC001550704391 923737616 /nfs/dbraw/zinc/73/76/16/923737616.db2.gz YRCDLDJUKWCDCM-KBXIAJHMSA-N 2 0 281.400 -0.494 20 0 CBADRP O[C@@H]1C[C@@H]2CN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC[N@@H+]2C1 ZINC001550704390 923738053 /nfs/dbraw/zinc/73/80/53/923738053.db2.gz YRCDLDJUKWCDCM-KBUPBQIOSA-N 2 0 281.400 -0.494 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)C[C@@H]1CC[NH3+] ZINC001550731373 923740471 /nfs/dbraw/zinc/74/04/71/923740471.db2.gz LOYUHJGKWPNYRP-FRRDWIJNSA-N 2 0 284.404 -0.009 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H]1CCC[NH2+]C[C@H]1F ZINC001550731501 923740696 /nfs/dbraw/zinc/74/06/96/923740696.db2.gz APXJEIHPBZEPIX-TUAOUCFPSA-N 2 0 288.367 -0.246 20 0 CBADRP [NH3+]CC1(CNC(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC001550729903 923740826 /nfs/dbraw/zinc/74/08/26/923740826.db2.gz CDXCADDXHPXDSG-JTQLQIEISA-N 2 0 256.350 -0.597 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001550732314 923741389 /nfs/dbraw/zinc/74/13/89/923741389.db2.gz SDPGLHNDFUCURM-VWYCJHECSA-N 2 0 256.350 -0.728 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)NC[C@H]3C[NH2+]CCCO3)C[C@]2(C)C1 ZINC001550730193 923741489 /nfs/dbraw/zinc/74/14/89/923741489.db2.gz FQJMBGFZBRVKQD-NFAWXSAZSA-N 2 0 296.415 -0.042 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC001550733390 923741525 /nfs/dbraw/zinc/74/15/25/923741525.db2.gz AUYLBINLRWGHDH-YXMLORGKSA-N 2 0 268.361 -0.766 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC001550731466 923741781 /nfs/dbraw/zinc/74/17/81/923741781.db2.gz MOHJVFLDXLZRMY-VXGBXAGGSA-N 2 0 270.377 -0.255 20 0 CBADRP CC1(C)CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)C[C@@H]1[NH3+] ZINC001550731017 923741932 /nfs/dbraw/zinc/74/19/32/923741932.db2.gz KBBDOPOSCJDBEL-QWRGUYRKSA-N 2 0 270.377 -0.256 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001550729914 923741968 /nfs/dbraw/zinc/74/19/68/923741968.db2.gz CFJHIFUMPMJVTO-UPJWGTAASA-N 2 0 282.388 -0.384 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001550729908 923741978 /nfs/dbraw/zinc/74/19/78/923741978.db2.gz CFJHIFUMPMJVTO-AGIUHOORSA-N 2 0 282.388 -0.384 20 0 CBADRP [NH3+][C@@H]1CCOC[C@@H]1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC001550745346 923743204 /nfs/dbraw/zinc/74/32/04/923743204.db2.gz RWCGWSMVXSPYBT-OWNCLDLKSA-N 2 0 254.334 -0.846 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC001550735248 923743294 /nfs/dbraw/zinc/74/32/94/923743294.db2.gz KGXYUNHOFOBMGE-UHFFFAOYSA-N 2 0 281.404 -0.539 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001550733889 923743447 /nfs/dbraw/zinc/74/34/47/923743447.db2.gz XMEYIKTZNQNWQD-UPJWGTAASA-N 2 0 284.404 -0.090 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H]1CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC001550736615 923743873 /nfs/dbraw/zinc/74/38/73/923743873.db2.gz RYRFIZAHBNDSHS-MSLYCWSTSA-N 2 0 252.362 -0.107 20 0 CBADRP C[N@@H+]1[C@H](CO)C[C@H]2CN(C(=O)NCC34CC(C3)C[NH2+]4)C[C@H]21 ZINC001550744581 923743886 /nfs/dbraw/zinc/74/38/86/923743886.db2.gz PHRUCBJVRAJDBB-GOIIMFGCSA-N 2 0 294.399 -0.555 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC001550743952 923744160 /nfs/dbraw/zinc/74/41/60/923744160.db2.gz HBONERRDJPONNG-CYBMUJFWSA-N 2 0 295.431 -0.007 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001550733908 923744861 /nfs/dbraw/zinc/74/48/61/923744861.db2.gz XNEROOBRSSRKPZ-WOPDTQHZSA-N 2 0 270.377 -0.480 20 0 CBADRP CCCNC(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550913914 923755219 /nfs/dbraw/zinc/75/52/19/923755219.db2.gz RDNFGORYAJADSH-SWLSCSKDSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H]1C(=O)NCCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC001551396834 923772421 /nfs/dbraw/zinc/77/24/21/923772421.db2.gz SQSVCLNPOOCPGL-DYEKYZERSA-N 2 0 267.373 -0.035 20 0 CBADRP CNC(=O)[C@@]12C[N@H+](C[C@H]3C[NH2+]C[C@H]3C)C[C@H]1COCC2 ZINC001551411271 923779690 /nfs/dbraw/zinc/77/96/90/923779690.db2.gz SDMHVJBUTVFFOJ-CXTNEJHOSA-N 2 0 281.400 -0.074 20 0 CBADRP CNC(=O)[C@@]12C[N@@H+]([C@H]3CC[NH2+]C3)C[C@H]1COCC2 ZINC001551413617 923781019 /nfs/dbraw/zinc/78/10/19/923781019.db2.gz XLMBYBDCBVQKKN-GVXVVHGQSA-N 2 0 253.346 -0.567 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001551464603 923795010 /nfs/dbraw/zinc/79/50/10/923795010.db2.gz LDPNZTBMPHFSEI-PEDHHIEDSA-N 2 0 279.384 -0.036 20 0 CBADRP [NH3+][C@@H]1CC12CC(NC(=O)[C@@H]1C[C@H]3OCC[C@H]3[NH2+]1)C2 ZINC001551462521 923795057 /nfs/dbraw/zinc/79/50/57/923795057.db2.gz ATKLRWBDAJDNDH-ODTYEBAOSA-N 2 0 251.330 -0.498 20 0 CBADRP [NH3+][C@@H]1CC12CC(NC(=O)[C@@H]1C[C@@H]3OCC[C@@H]3[NH2+]1)C2 ZINC001551462511 923795540 /nfs/dbraw/zinc/79/55/40/923795540.db2.gz ATKLRWBDAJDNDH-BHZYZEHNSA-N 2 0 251.330 -0.498 20 0 CBADRP [NH3+][C@@H]1c2ccccc2C[C@@H]1NC(=O)N1CCOC[C@@H]([NH3+])C1 ZINC001551479634 923797429 /nfs/dbraw/zinc/79/74/29/923797429.db2.gz BPKXNKFZLYJVGV-FPMFFAJLSA-N 2 0 290.367 -0.020 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)NC1CC2(C[C@H]2[NH3+])C1 ZINC001551572234 923804970 /nfs/dbraw/zinc/80/49/70/923804970.db2.gz YTZZZJJPAVRIPA-MRFPXMQZSA-N 2 0 282.388 -0.114 20 0 CBADRP CCO[C@@H]1CN(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)C[C@H]1C[NH3+] ZINC001551576340 923804991 /nfs/dbraw/zinc/80/49/91/923804991.db2.gz POUZFCCQUNCTDW-FNOJUICISA-N 2 0 282.388 -0.129 20 0 CBADRP CN1CCN(C(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)[C@H](C[NH3+])C1 ZINC001551569990 923805665 /nfs/dbraw/zinc/80/56/65/923805665.db2.gz NHOXLUMLAAFHJO-ICRTXTNUSA-N 2 0 295.431 -0.069 20 0 CBADRP CCO[C@@H]1CN(C(=O)NC2CC3(C[C@H]3[NH3+])C2)C[C@@H]1C[NH3+] ZINC001551576336 923805683 /nfs/dbraw/zinc/80/56/83/923805683.db2.gz POUZFCCQUNCTDW-ARCGFLRYSA-N 2 0 282.388 -0.129 20 0 CBADRP C[C@@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)NC1CC2(C[C@H]2[NH3+])C1 ZINC001551618852 923808123 /nfs/dbraw/zinc/80/81/23/923808123.db2.gz YWVKTNYICNILDW-BOEZANNTSA-N 2 0 296.415 -0.037 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC3(C[C@H]3[NH3+])C2)C[C@H]1C ZINC001551590973 923808699 /nfs/dbraw/zinc/80/86/99/923808699.db2.gz OCNIXVGSARQDPO-CZAVRGAYSA-N 2 0 296.415 -0.037 20 0 CBADRP CN1CCN(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)[C@H](C[NH3+])C1 ZINC001551614419 923809060 /nfs/dbraw/zinc/80/90/60/923809060.db2.gz TYSAJHLRSQSJHI-ZUXSNHBTSA-N 2 0 267.377 -0.850 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001552087934 923827844 /nfs/dbraw/zinc/82/78/44/923827844.db2.gz PKLBZXKVSZQSKJ-WZRBSPASSA-N 2 0 290.371 -0.364 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NCC[NH+](C)C)cnn1C ZINC001552087185 923828188 /nfs/dbraw/zinc/82/81/88/923828188.db2.gz LTIMZYCMFFSXRY-STQMWFEESA-N 2 0 279.388 -0.291 20 0 CBADRP CN(C(=O)c1cn([C@H]2CC[NH2+]C2)nn1)C1CC[NH+](C)CC1 ZINC001552087442 923829644 /nfs/dbraw/zinc/82/96/44/923829644.db2.gz WAFHBOXCIDNYGP-LBPRGKRZSA-N 2 0 292.387 -0.021 20 0 CBADRP CC(C)(CC[NH3+])NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552090004 923830971 /nfs/dbraw/zinc/83/09/71/923830971.db2.gz KMAQLHDFEVBSGA-VIFPVBQESA-N 2 0 266.349 -0.330 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001552107296 923834014 /nfs/dbraw/zinc/83/40/14/923834014.db2.gz KWUIRMQXSVZTGY-UPJWGTAASA-N 2 0 294.403 -0.161 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001552106268 923834062 /nfs/dbraw/zinc/83/40/62/923834062.db2.gz IROFYMZHUIRYRZ-RTXFEEFZSA-N 2 0 294.403 -0.194 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552159232 923838666 /nfs/dbraw/zinc/83/86/66/923838666.db2.gz VPRNOZYJGDJOOJ-YNEHKIRRSA-N 2 0 267.373 -0.273 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CC[C@H]([NH3+])C2)cnn1C ZINC001552160388 923839130 /nfs/dbraw/zinc/83/91/30/923839130.db2.gz AARQOUURLUOCMQ-WCFLWFBJSA-N 2 0 277.372 -0.409 20 0 CBADRP O=C(c1cn([C@H]2CC[NH2+]C2)nn1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001552161127 923839185 /nfs/dbraw/zinc/83/91/85/923839185.db2.gz LDKKKBUTKAOPQD-WOPDTQHZSA-N 2 0 290.371 -0.221 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H]2CC[NH2+]C2)cnn1C ZINC001552161492 923839262 /nfs/dbraw/zinc/83/92/62/923839262.db2.gz OBPPTNWXVBFJOS-XBFCOCLRSA-N 2 0 291.399 -0.243 20 0 CBADRP [NH3+][C@H](CNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)C1CC1 ZINC001552161378 923839466 /nfs/dbraw/zinc/83/94/66/923839466.db2.gz MUKNYUOVWLWPSN-VHSXEESVSA-N 2 0 264.333 -0.720 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552160835 923839499 /nfs/dbraw/zinc/83/94/99/923839499.db2.gz IVMQCMQBYWBJPM-NXEZZACHSA-N 2 0 264.333 -0.706 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552160846 923839577 /nfs/dbraw/zinc/83/95/77/923839577.db2.gz IVMQCMQBYWBJPM-ZJUUUORDSA-N 2 0 264.333 -0.706 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552161662 923839842 /nfs/dbraw/zinc/83/98/42/923839842.db2.gz QPJKKZRRMFIKSR-GHMZBOCLSA-N 2 0 278.360 -0.364 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H]2CC[NH2+]C2)cnn1C ZINC001552161490 923840080 /nfs/dbraw/zinc/84/00/80/923840080.db2.gz OBPPTNWXVBFJOS-UBHSHLNASA-N 2 0 291.399 -0.243 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001552161125 923840308 /nfs/dbraw/zinc/84/03/08/923840308.db2.gz LDKKKBUTKAOPQD-GRYCIOLGSA-N 2 0 290.371 -0.221 20 0 CBADRP CC(C)(C[NH3+])NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552162950 923841422 /nfs/dbraw/zinc/84/14/22/923841422.db2.gz HJCNMZYDJWGFSW-MRVPVSSYSA-N 2 0 252.322 -0.720 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552162410 923841673 /nfs/dbraw/zinc/84/16/73/923841673.db2.gz ZEXRJHSPPXXTMK-DTWKUNHWSA-N 2 0 252.322 -0.720 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC001552163767 923841735 /nfs/dbraw/zinc/84/17/35/923841735.db2.gz VOMDPCWPIFMTLU-MNOVXSKESA-N 2 0 278.360 -0.364 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@H](C)C[NH3+])cnn1C ZINC001552164070 923842171 /nfs/dbraw/zinc/84/21/71/923842171.db2.gz MMHBIGNGJYSXKY-ZHAHWJHGSA-N 2 0 265.361 -0.505 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CC[C@H](C[NH3+])C2)cnn1C ZINC001552163335 923842589 /nfs/dbraw/zinc/84/25/89/923842589.db2.gz NTBHXQBRMSMPON-XBFCOCLRSA-N 2 0 291.399 -0.161 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NCC[NH3+])cnn1C ZINC001552162704 923842714 /nfs/dbraw/zinc/84/27/14/923842714.db2.gz FVPXGTBNNOSYLU-QWRGUYRKSA-N 2 0 251.334 -0.894 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NC[C@H](C)[NH3+])cnn1C ZINC001552163276 923842769 /nfs/dbraw/zinc/84/27/69/923842769.db2.gz CJYRLONWUIJLFX-KPXOXKRLSA-N 2 0 265.361 -0.505 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H]2CC[NH2+]C2)cnn1C ZINC001552163451 923843039 /nfs/dbraw/zinc/84/30/39/923843039.db2.gz PWRLUENRAFGLAF-WXHSDQCUSA-N 2 0 277.372 -0.490 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552164058 923843153 /nfs/dbraw/zinc/84/31/53/923843153.db2.gz MBFRNNQILITSLL-LPEHRKFASA-N 2 0 282.323 -0.758 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC001552163246 923843251 /nfs/dbraw/zinc/84/32/51/923843251.db2.gz XDBHODSXZOKZNQ-UWVGGRQHSA-N 2 0 264.333 -0.624 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552164163 923845620 /nfs/dbraw/zinc/84/56/20/923845620.db2.gz OUWKWRRUTZVJQG-GMTAPVOTSA-N 2 0 278.360 -0.460 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552164480 923845719 /nfs/dbraw/zinc/84/57/19/923845719.db2.gz VXXXRQILQMTPJC-RKDXNWHRSA-N 2 0 252.322 -0.720 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC001552177197 923845869 /nfs/dbraw/zinc/84/58/69/923845869.db2.gz CQBIQSWGRWSMLP-NEPJUHHUSA-N 2 0 290.371 -0.267 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552195409 923847321 /nfs/dbraw/zinc/84/73/21/923847321.db2.gz XDAGUYTYUQCFLP-MRBYEJRBSA-N 2 0 253.346 -0.534 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552195354 923847922 /nfs/dbraw/zinc/84/79/22/923847922.db2.gz VFOVZRFGVQCXMH-GXFFZTMASA-N 2 0 255.362 -0.334 20 0 CBADRP [NH3+]C[C@@]12CCC[C@H]1CN(C(=O)NCC1C[NH2+]C1)C2 ZINC001552184798 923848184 /nfs/dbraw/zinc/84/81/84/923848184.db2.gz KTBMSHVUBSNNPH-WCQYABFASA-N 2 0 252.362 -0.024 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552193690 923848612 /nfs/dbraw/zinc/84/86/12/923848612.db2.gz BMECZWXJZDLAEP-GXFFZTMASA-N 2 0 253.346 -0.567 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)NCCN1CC[NH2+]CC1)C2 ZINC001552188531 923848680 /nfs/dbraw/zinc/84/86/80/923848680.db2.gz GHPJAFVGFZNIJP-HIFRSBDPSA-N 2 0 295.431 -0.338 20 0 CBADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552199746 923855504 /nfs/dbraw/zinc/85/55/04/923855504.db2.gz IFZQUBOIUHXKAZ-YWPYICTPSA-N 2 0 279.384 -0.177 20 0 CBADRP C[NH+]1CCC(NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552199280 923855564 /nfs/dbraw/zinc/85/55/64/923855564.db2.gz AFJDMYVGDDLJOD-GXFFZTMASA-N 2 0 253.346 -0.567 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552200240 923856389 /nfs/dbraw/zinc/85/63/89/923856389.db2.gz NQSWFYUJVZRXGH-RGCMKSIDSA-N 2 0 279.384 -0.035 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552200989 923857847 /nfs/dbraw/zinc/85/78/47/923857847.db2.gz YPBFQYQNAMEOLA-NQBHXWOUSA-N 2 0 253.346 -0.567 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC[N@@H+]1C ZINC001552201755 923858169 /nfs/dbraw/zinc/85/81/69/923858169.db2.gz WWNLOMZPAOWVRQ-BYNQJWBRSA-N 2 0 267.373 -0.179 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)C[C@H]21 ZINC001552202491 923862107 /nfs/dbraw/zinc/86/21/07/923862107.db2.gz HFBNBZCQTRPQJF-HVNMYJMUSA-N 2 0 279.384 -0.192 20 0 CBADRP O=C(Nc1ccn([C@@H]2CC[NH2+]C2)n1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552203060 923862915 /nfs/dbraw/zinc/86/29/15/923862915.db2.gz VILKTWNUBGFLFU-GYSYKLTISA-N 2 0 291.355 -0.408 20 0 CBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552202500 923863322 /nfs/dbraw/zinc/86/33/22/923863322.db2.gz HIRCEGICWARJGR-MISXGVKJSA-N 2 0 265.357 -0.519 20 0 CBADRP [NH3+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552202543 923863816 /nfs/dbraw/zinc/86/38/16/923863816.db2.gz ITMXOSQKWYAXER-AFDWVFOBSA-N 2 0 279.384 -0.049 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C[C@H]1C[NH3+] ZINC001552204009 923864852 /nfs/dbraw/zinc/86/48/52/923864852.db2.gz KENFEALNRMQORY-BYNQJWBRSA-N 2 0 267.373 -0.334 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CCO1 ZINC001552203567 923865038 /nfs/dbraw/zinc/86/50/38/923865038.db2.gz FZUFRIWOZDXMJC-OUCADQQQSA-N 2 0 283.372 -0.989 20 0 CBADRP [NH3+]CCC1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552204265 923865265 /nfs/dbraw/zinc/86/52/65/923865265.db2.gz PKKHEVJABJXSRT-OCCSQVGLSA-N 2 0 267.373 -0.190 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C[C@@H]1C[NH3+] ZINC001552203129 923865350 /nfs/dbraw/zinc/86/53/50/923865350.db2.gz FCHBJTBYMSWAPF-SFTQSGBHSA-N 2 0 283.372 -0.955 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552203263 923865533 /nfs/dbraw/zinc/86/55/33/923865533.db2.gz XJGKGMLILOIJDD-SRRSOLGSSA-N 2 0 253.346 -0.392 20 0 CBADRP C[NH+](C)[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552204072 923865604 /nfs/dbraw/zinc/86/56/04/923865604.db2.gz ODEXDNCVLSRJKJ-DMDPSCGWSA-N 2 0 253.346 -0.615 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552203188 923866181 /nfs/dbraw/zinc/86/61/81/923866181.db2.gz DMWFHZIMPYELQQ-UKRRQHHQSA-N 2 0 297.399 -0.597 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552205105 923866305 /nfs/dbraw/zinc/86/63/05/923866305.db2.gz XPUVMVYNQMODIR-QFOLPQNPSA-N 2 0 257.309 -0.961 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552216271 923867829 /nfs/dbraw/zinc/86/78/29/923867829.db2.gz NGDDFSPOMQOYFV-BZPMIXESSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCOC2)[C@@H](C[NH3+])C1 ZINC001552215755 923868393 /nfs/dbraw/zinc/86/83/93/923868393.db2.gz LTDGYDUTYSMENA-GRYCIOLGSA-N 2 0 255.362 -0.192 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552218213 923871793 /nfs/dbraw/zinc/87/17/93/923871793.db2.gz MLJABGLQGOVIAW-DYEKYZERSA-N 2 0 267.373 -0.177 20 0 CBADRP CN(CCC[NH3+])C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552217285 923872418 /nfs/dbraw/zinc/87/24/18/923872418.db2.gz DKQILRFQYRRARC-VIFPVBQESA-N 2 0 252.322 -0.767 20 0 CBADRP [NH3+][C@@H]1COCCN(C(=O)[C@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC001552260177 923875156 /nfs/dbraw/zinc/87/51/56/923875156.db2.gz BSPDXFNLARHMDS-AVGNSLFASA-N 2 0 267.373 -0.192 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001552245879 923875603 /nfs/dbraw/zinc/87/56/03/923875603.db2.gz GVBKGEVYUAHQLS-XQQFMLRXSA-N 2 0 281.404 -0.574 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552274087 923876392 /nfs/dbraw/zinc/87/63/92/923876392.db2.gz GJRCUQNNPOFYLX-KXUCPTDWSA-N 2 0 264.333 -0.626 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001552273542 923876450 /nfs/dbraw/zinc/87/64/50/923876450.db2.gz FTHGZPKLXSRNSX-ZPFDUUQYSA-N 2 0 253.346 -0.521 20 0 CBADRP [NH3+][C@@H]1COCC[C@@H]1NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001552272720 923877063 /nfs/dbraw/zinc/87/70/63/923877063.db2.gz DHBMKZDCTWVMFF-LOWDOPEQSA-N 2 0 267.373 -0.146 20 0 CBADRP O=C(N[C@@H]1CCCC[NH2+]CC1)[C@H]1C[NH2+]CCOC1 ZINC001552274339 923877845 /nfs/dbraw/zinc/87/78/45/923877845.db2.gz MHJGCWFXZHYQGH-NWDGAFQWSA-N 2 0 255.362 -0.129 20 0 CBADRP [NH3+]CC1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552274178 923878102 /nfs/dbraw/zinc/87/81/02/923878102.db2.gz IFENRWVZYBAZFV-QKVQEHJESA-N 2 0 267.373 -0.144 20 0 CBADRP N[C@@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@@H]1[NH3+] ZINC001552282532 923879016 /nfs/dbraw/zinc/87/90/16/923879016.db2.gz LEJVJIWFGKDUHH-YVWQXTAVSA-N 2 0 266.389 -0.363 20 0 CBADRP C[C@@H](NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)C1CC[NH2+]CC1 ZINC001552276040 923879327 /nfs/dbraw/zinc/87/93/27/923879327.db2.gz WCQPPFQUKIKFAU-PWSUYJOCSA-N 2 0 292.387 -0.070 20 0 CBADRP CCN(C(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[C@H]1CC[NH2+]C1 ZINC001552283501 923879748 /nfs/dbraw/zinc/87/97/48/923879748.db2.gz GFBAWNWORWSRDF-QWRGUYRKSA-N 2 0 278.360 -0.364 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001552336611 923884861 /nfs/dbraw/zinc/88/48/61/923884861.db2.gz CRMIMRVAMIIDCG-MGPQQGTHSA-N 2 0 295.431 -0.469 20 0 CBADRP C[C@@H]1CN(C(=O)N2C[C@@H](N)[C@@H]([NH3+])C2)CC[N@@H+](C2CC2)C1 ZINC001552294076 923885818 /nfs/dbraw/zinc/88/58/18/923885818.db2.gz XRKKLXHSUMDKAR-WCFLWFBJSA-N 2 0 281.404 -0.507 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001552353467 923890583 /nfs/dbraw/zinc/89/05/83/923890583.db2.gz PATLXQMEGWOJPB-STQMWFEESA-N 2 0 295.431 -0.327 20 0 CBADRP CCO[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1C[NH3+] ZINC001552414443 923895201 /nfs/dbraw/zinc/89/52/01/923895201.db2.gz ZTXMATJMTOEBOB-RWMBFGLXSA-N 3 0 269.389 -0.197 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)c1cnnn1C1CC[NH2+]CC1 ZINC001552418399 923895844 /nfs/dbraw/zinc/89/58/44/923895844.db2.gz JLUKXNRSVOFTNS-UHFFFAOYSA-N 2 0 292.387 -0.068 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]C1)c1cnnn1C1CC[NH2+]CC1 ZINC001552418746 923896214 /nfs/dbraw/zinc/89/62/14/923896214.db2.gz NRQSKDYENGCZGQ-LLVKDONJSA-N 2 0 292.387 -0.068 20 0 CBADRP Cc1c(C(=O)N2CCC[C@@H](C[NH3+])C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552418658 923896790 /nfs/dbraw/zinc/89/67/90/923896790.db2.gz JUWGNKYKCBWDSE-RYUDHWBXSA-N 2 0 292.387 -0.068 20 0 CBADRP Cc1c(C(=O)NC[C@@H]2CCC[NH2+]2)nnn1[C@H]1CC[NH2+]C1 ZINC001552418948 923897023 /nfs/dbraw/zinc/89/70/23/923897023.db2.gz BTGHLDZXQVIOHR-QWRGUYRKSA-N 2 0 278.360 -0.397 20 0 CBADRP Cc1c(C(=O)N[C@H]2CC[NH2+]C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552418742 923897389 /nfs/dbraw/zinc/89/73/89/923897389.db2.gz MOYZVUYSSZEVKP-VHSXEESVSA-N 2 0 264.333 -0.787 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CCCC[NH2+]C1 ZINC001552420576 923898213 /nfs/dbraw/zinc/89/82/13/923898213.db2.gz UIDYBORVFPCSOT-CYBMUJFWSA-N 2 0 268.405 -0.260 20 0 CBADRP Cc1c(C(=O)N(C)[C@@H](C)C[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552420884 923898659 /nfs/dbraw/zinc/89/86/59/923898659.db2.gz RGTBWFHKTZDFCH-WPRPVWTQSA-N 2 0 266.349 -0.460 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1CCCC[NH2+]C1 ZINC001552422034 923898952 /nfs/dbraw/zinc/89/89/52/923898952.db2.gz XXIXTWDONFQJDJ-STQMWFEESA-N 2 0 268.405 -0.262 20 0 CBADRP Cc1c(C(=O)N[C@](C)(C[NH3+])C2CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552420295 923899624 /nfs/dbraw/zinc/89/96/24/923899624.db2.gz AQSFOAHBIAAGET-SMDDNHRTSA-N 2 0 292.387 -0.022 20 0 CBADRP Cc1c(C(=O)N(C)[C@@H]2CC[NH2+]C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552420578 923899718 /nfs/dbraw/zinc/89/97/18/923899718.db2.gz UMWMHCKTPJNOIK-GHMZBOCLSA-N 2 0 278.360 -0.445 20 0 CBADRP Cc1c(C(=O)N[C@@](C)(C[NH3+])C2CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552420293 923900044 /nfs/dbraw/zinc/90/00/44/923900044.db2.gz AQSFOAHBIAAGET-FZMZJTMJSA-N 2 0 292.387 -0.022 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)c2cc(C3CC[NH2+]CC3)no2)CCO1 ZINC001552436786 923903435 /nfs/dbraw/zinc/90/34/35/923903435.db2.gz RSGJQVDJXWCEIT-LLVKDONJSA-N 2 0 294.355 -0.059 20 0 CBADRP Cc1c(C(=O)NCC2([NH3+])CCC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552436516 923903684 /nfs/dbraw/zinc/90/36/84/923903684.db2.gz LKOZRRUFGBXKTC-SNVBAGLBSA-N 2 0 278.360 -0.268 20 0 CBADRP O=C(NC[C@H]1CC[NH2+]C1)c1cnnn1C1CC[NH2+]CC1 ZINC001552436835 923904120 /nfs/dbraw/zinc/90/41/20/923904120.db2.gz SJDUREZZHYXWOR-JTQLQIEISA-N 2 0 278.360 -0.458 20 0 CBADRP Cc1c(C(=O)NC[C@H]([NH3+])C2CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552436894 923904793 /nfs/dbraw/zinc/90/47/93/923904793.db2.gz UKMWNXASMHCTLV-QWRGUYRKSA-N 2 0 278.360 -0.412 20 0 CBADRP Cc1c(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)nnn1[C@@H]1CC[NH2+]C1 ZINC001552436767 923905014 /nfs/dbraw/zinc/90/50/14/923905014.db2.gz HDJJTBGWWFONHJ-YUSALJHKSA-N 2 0 292.387 -0.151 20 0 CBADRP Cc1c(C(=O)N2C[C@H](F)C[C@@H]2C[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552436816 923905125 /nfs/dbraw/zinc/90/51/25/923905125.db2.gz RZZPZQJRFSFKIV-GMTAPVOTSA-N 2 0 296.350 -0.368 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCCC[NH2+]C2)n1 ZINC001552435399 923905580 /nfs/dbraw/zinc/90/55/80/923905580.db2.gz AXDFOHSJCFGTLL-SECBINFHSA-N 2 0 279.344 -0.353 20 0 CBADRP Cc1c(C(=O)N2CC[C@@](C)(C[NH3+])C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552438087 923906362 /nfs/dbraw/zinc/90/63/62/923906362.db2.gz YLMWGRLIURTSLV-FZMZJTMJSA-N 2 0 292.387 -0.068 20 0 CBADRP Cc1c(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]32)nnn1[C@H]1CC[NH2+]C1 ZINC001552437404 923907124 /nfs/dbraw/zinc/90/71/24/923907124.db2.gz CZDXAJCPZKOZHV-GRYCIOLGSA-N 2 0 290.371 -0.445 20 0 CBADRP Cc1c(C(=O)N2CC[C@H]([NH3+])[C@H]2C)nnn1[C@@H]1CC[NH2+]C1 ZINC001552437283 923907502 /nfs/dbraw/zinc/90/75/02/923907502.db2.gz ADJPFGUALLQSLH-IEBDPFPHSA-N 2 0 278.360 -0.317 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C ZINC001552437345 923907877 /nfs/dbraw/zinc/90/78/77/923907877.db2.gz CDOVUVLVPDVJFX-NXEZZACHSA-N 2 0 266.349 -0.412 20 0 CBADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001552438957 923908115 /nfs/dbraw/zinc/90/81/15/923908115.db2.gz WTBISGUMIGNIRK-GXSJLCMTSA-N 2 0 278.360 -0.236 20 0 CBADRP Cc1c(C(=O)N2CC[C@H](F)[C@H]([NH3+])C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552440181 923908944 /nfs/dbraw/zinc/90/89/44/923908944.db2.gz RUQQYILKVJEQQD-GARJFASQSA-N 2 0 296.350 -0.368 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@H]2CCCC[NH2+]C2)CC1 ZINC001552441866 923909321 /nfs/dbraw/zinc/90/93/21/923909321.db2.gz MSEPDDVXYQRATP-NSHDSACASA-N 2 0 255.362 -0.312 20 0 CBADRP CN(C(=O)c1cnnn1C1CC[NH2+]CC1)[C@H]1CC[N@H+](C)C1 ZINC001552441008 923909547 /nfs/dbraw/zinc/90/95/47/923909547.db2.gz SHWATRRFAVEORT-LBPRGKRZSA-N 2 0 292.387 -0.021 20 0 CBADRP C[C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001552440533 923909807 /nfs/dbraw/zinc/90/98/07/923909807.db2.gz CNDKMQURANHJHU-MWLCHTKSSA-N 2 0 278.360 -0.378 20 0 CBADRP Cc1c(C(=O)N2CC[C@H](F)[C@H]([NH3+])C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552440182 923909879 /nfs/dbraw/zinc/90/98/79/923909879.db2.gz RUQQYILKVJEQQD-OUAUKWLOSA-N 2 0 296.350 -0.368 20 0 CBADRP C[C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001552440531 923910455 /nfs/dbraw/zinc/91/04/55/923910455.db2.gz CNDKMQURANHJHU-KOLCDFICSA-N 2 0 278.360 -0.378 20 0 CBADRP C[NH2+]CCNC(=O)c1cn([C@H]2CCCC[C@H]2[NH3+])nn1 ZINC001552685150 923912933 /nfs/dbraw/zinc/91/29/33/923912933.db2.gz WTNFLBBLBOBHDI-KOLCDFICSA-N 2 0 266.349 -0.330 20 0 CBADRP c1nn2c(c1CN1CCN([C@@H]3CC[NH2+]C3)CC1)C[NH2+]CC2 ZINC001552687763 923915758 /nfs/dbraw/zinc/91/57/58/923915758.db2.gz ZDPZJNFAEXUZLF-CQSZACIVSA-N 2 0 290.415 -0.534 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)c1cnc(C2CC[NH2+]CC2)[nH]1 ZINC001552700225 923917361 /nfs/dbraw/zinc/91/73/61/923917361.db2.gz UGLINHIIPNDFMD-NSHDSACASA-N 2 0 293.371 -0.405 20 0 CBADRP [NH3+][C@H]1CCCC[C@@H]1n1cc(C(=O)N2CC[NH2+]CC2)nn1 ZINC001552686552 923918070 /nfs/dbraw/zinc/91/80/70/923918070.db2.gz VRIIZBUBKKGOAB-JQWIXIFHSA-N 2 0 278.360 -0.234 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC001552842255 923920704 /nfs/dbraw/zinc/92/07/04/923920704.db2.gz FIKRWISEWMMJDE-FZMZJTMJSA-N 2 0 267.373 -0.169 20 0 CBADRP [NH3+][C@@H]1COCC[C@@H]1NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC001552854516 923922375 /nfs/dbraw/zinc/92/23/75/923922375.db2.gz PTGZFBJCBXRYPB-XZUYRWCXSA-N 2 0 253.346 -0.249 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001552848003 923923118 /nfs/dbraw/zinc/92/31/18/923923118.db2.gz JOHPGCFACIBNHU-ONGXEEELSA-N 2 0 278.360 -0.317 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1NC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C ZINC001552844621 923923673 /nfs/dbraw/zinc/92/36/73/923923673.db2.gz AMFSXPSEFQJOGT-SRVKXCTJSA-N 2 0 292.387 -0.009 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001552848263 923923925 /nfs/dbraw/zinc/92/39/25/923923925.db2.gz OZTFCMZZBIRGMW-NGZCFLSTSA-N 2 0 263.345 -0.033 20 0 CBADRP Cc1c(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552848781 923924244 /nfs/dbraw/zinc/92/42/44/923924244.db2.gz DIJQUBJZXQTGIW-DLOVCJGASA-N 2 0 292.387 -0.212 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)C[C@@H]1n1ccnn1 ZINC001552850783 923924285 /nfs/dbraw/zinc/92/42/85/923924285.db2.gz ISPUUTBRTBEJDA-CZXHOFHRSA-N 2 0 290.371 -0.479 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)NC[C@H]3CCC[NH2+]3)C2)CC1 ZINC001552954904 923926466 /nfs/dbraw/zinc/92/64/66/923926466.db2.gz NESXYRNPLZVIPM-KGLIPLIRSA-N 2 0 295.431 -0.230 20 0 CBADRP N[C@@H]1CN(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)C[C@@H]1[NH3+] ZINC001552961820 923927182 /nfs/dbraw/zinc/92/71/82/923927182.db2.gz WCTOITUXDACUPQ-MELADBBJSA-N 2 0 295.431 -0.212 20 0 CBADRP N[C@@H]1CN(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C[C@@H]1[NH3+] ZINC001552960433 923927270 /nfs/dbraw/zinc/92/72/70/923927270.db2.gz MTFHDVXUIWSXBO-MELADBBJSA-N 2 0 295.431 -0.212 20 0 CBADRP N[C@@H]1CN(C(=O)N2CC[NH2+]CCC23CCC3)C[C@@H]1[NH3+] ZINC001552959891 923927431 /nfs/dbraw/zinc/92/74/31/923927431.db2.gz HEAPASDRDITVQL-PHIMTYICSA-N 2 0 267.377 -0.705 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)NCC3([NH3+])CCC3)C2)CC1 ZINC001552954626 923927942 /nfs/dbraw/zinc/92/79/42/923927942.db2.gz XLJQHEWUQFSJBT-ZDUSSCGKSA-N 2 0 295.431 -0.101 20 0 CBADRP C1C[C@H](N[C@H]2C[NH2+]CCOC2)[C@H](C2CC[NH2+]CC2)O1 ZINC001553025218 923936252 /nfs/dbraw/zinc/93/62/52/923936252.db2.gz XIHHPTQBJWRNFJ-IHRRRGAJSA-N 2 0 269.389 -0.279 20 0 CBADRP C([C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCO[C@H]2C[NH2+]C[C@@H]21 ZINC001553301457 923946711 /nfs/dbraw/zinc/94/67/11/923946711.db2.gz PYCJKFDIDKTULJ-IHRRRGAJSA-N 2 0 281.400 -0.182 20 0 CBADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001553301847 923946782 /nfs/dbraw/zinc/94/67/82/923946782.db2.gz LSDCGDZWRUUICB-MQYQWHSLSA-N 3 0 251.374 -0.094 20 0 CBADRP NC(=O)C12CC(C1)C[N@@H+]2C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC001553304129 923947629 /nfs/dbraw/zinc/94/76/29/923947629.db2.gz ARUPDIDZYBKZFP-HJGSJEJJSA-N 2 0 265.357 -0.295 20 0 CBADRP [NH3+][C@@H]1COCCN(Cc2ccc(N3CC[NH2+]CC3)o2)C1 ZINC001553309996 923948985 /nfs/dbraw/zinc/94/89/85/923948985.db2.gz NBRDYGAXAGRWMY-LBPRGKRZSA-N 2 0 280.372 -0.151 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCOC3)C1 ZINC001553345952 923949138 /nfs/dbraw/zinc/94/91/38/923949138.db2.gz YPQFXDMIEDCXBB-LOWVWBTDSA-N 2 0 253.346 -0.438 20 0 CBADRP CN1CC[C@]2(C(=O)N3CCC([NH3+])CC3)C[NH2+]C[C@H]2C1 ZINC001553345826 923949779 /nfs/dbraw/zinc/94/97/79/923949779.db2.gz XRTJHHHMSCMREV-FZMZJTMJSA-N 2 0 266.389 -0.523 20 0 CBADRP c1cc(N2CC[NH2+]CC2)oc1CN1CCO[C@H]2C[NH2+]C[C@@H]21 ZINC001553311271 923950099 /nfs/dbraw/zinc/95/00/99/923950099.db2.gz ZXWFZDLBASRRGE-KBPBESRZSA-N 2 0 292.383 -0.138 20 0 CBADRP [NH3+][C@H]1COCC[C@@H]1NCc1ccc(N2CC[NH2+]CC2)o1 ZINC001553310073 923950384 /nfs/dbraw/zinc/95/03/84/923950384.db2.gz QRAICDALYUBGCE-STQMWFEESA-N 2 0 280.372 -0.105 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@]12C[NH2+]C[C@H]1COCC2 ZINC001553348910 923954014 /nfs/dbraw/zinc/95/40/14/923954014.db2.gz CFVPJCIECSBXJZ-LOWVWBTDSA-N 2 0 253.346 -0.519 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CN(C)CC3)C1 ZINC001553354400 923955810 /nfs/dbraw/zinc/95/58/10/923955810.db2.gz QVONYKFGETVGHS-GZBFAFLISA-N 2 0 280.416 -0.404 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC001553352870 923958314 /nfs/dbraw/zinc/95/83/14/923958314.db2.gz FKBLOAAYTMODSK-YVECIDJPSA-N 2 0 294.399 -0.845 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NC[C@H]3CCC[NH2+]3)C[NH2+]C[C@@H]2C1 ZINC001553355453 923958353 /nfs/dbraw/zinc/95/83/53/923958353.db2.gz YCVRNRAZPYZOJC-BZPMIXESSA-N 3 0 266.389 -0.604 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@]12C[NH2+]C[C@@H]1COCC2 ZINC001553355303 923958691 /nfs/dbraw/zinc/95/86/91/923958691.db2.gz PRENGRVPVNVNJF-MDZLAQPJSA-N 2 0 253.346 -0.519 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(C)CC3)CC[C@H]1[NH3+] ZINC001553356678 923959668 /nfs/dbraw/zinc/95/96/68/923959668.db2.gz UIENCOURYIXOON-BHPKHCPMSA-N 2 0 280.416 -0.277 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCOC3)C1 ZINC001553356004 923959766 /nfs/dbraw/zinc/95/97/66/923959766.db2.gz QREWQPBVRLTRQO-OUCADQQQSA-N 2 0 267.373 -0.177 20 0 CBADRP CN1CCN(C(=O)[C@@H]2CC23CCC([NH3+])CC3)[C@H](C[NH3+])C1 ZINC001553358427 923960216 /nfs/dbraw/zinc/96/02/16/923960216.db2.gz HMBYTORUMKKZQI-ICRTXTNUSA-N 2 0 280.416 -0.005 20 0 CBADRP CN(C(=O)[C@]12C[NH2+]C[C@@H]1CCOC2)[C@H]1CC[NH2+]C1 ZINC001553358217 923960575 /nfs/dbraw/zinc/96/05/75/923960575.db2.gz MXFINFXYKXEAAN-GVXVVHGQSA-N 2 0 253.346 -0.567 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CN(C)CC3)C1 ZINC001553355976 923960675 /nfs/dbraw/zinc/96/06/75/923960675.db2.gz QLJGOHGIPDRWHR-GZBFAFLISA-N 2 0 280.416 -0.262 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])[C@@H]3C[C@@H]32)CCO1 ZINC001553357018 923960749 /nfs/dbraw/zinc/96/07/49/923960749.db2.gz CTQGRPRRVYQHFZ-URIQBSJHSA-N 2 0 253.346 -0.456 20 0 CBADRP [NH3+]C1CCC(NC(=O)[C@@]23C[NH2+]C[C@H]2CCOC3)CC1 ZINC001553358254 923960829 /nfs/dbraw/zinc/96/08/29/923960829.db2.gz QZKSOVIZFBREKY-MLCFOIATSA-N 2 0 267.373 -0.001 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CN(C)CC3)CCO1 ZINC001553358647 923961264 /nfs/dbraw/zinc/96/12/64/923961264.db2.gz JDWZGFPIOVSXFQ-SFDCQRBFSA-N 2 0 296.415 -0.898 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CN(C)CC3)C[C@H](C)[NH2+]1 ZINC001553358709 923961778 /nfs/dbraw/zinc/96/17/78/923961778.db2.gz PPVYSEVXDXVHBL-XFMPKHEZSA-N 2 0 280.416 -0.264 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2COCC3)C1 ZINC001553360448 923963639 /nfs/dbraw/zinc/96/36/39/923963639.db2.gz ZTZBGRFSVFFZQV-OBJOEFQTSA-N 2 0 267.373 -0.320 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@]12C[NH2+]C[C@@H]1COCC2 ZINC001553360050 923964294 /nfs/dbraw/zinc/96/42/94/923964294.db2.gz XZQBBODONHMSTE-WZRBSPASSA-N 2 0 255.362 -0.288 20 0 CBADRP CC(C)NC(=O)CNC(=O)[C@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553371067 923965203 /nfs/dbraw/zinc/96/52/03/923965203.db2.gz BBVKNAWBWSIURY-SMDDNHRTSA-N 2 0 282.388 -0.832 20 0 CBADRP Cn1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)n1 ZINC001553377378 923967840 /nfs/dbraw/zinc/96/78/40/923967840.db2.gz GDMIMHDJLYWFOO-GXFFZTMASA-N 2 0 263.345 -0.100 20 0 CBADRP COCCN(C)C(=O)[C@@]12C[NH2+]C[C@H]1CN(C)CC2 ZINC001553384504 923969633 /nfs/dbraw/zinc/96/96/33/923969633.db2.gz LVWPWKSEXCUKNN-AAEUAGOBSA-N 2 0 255.362 -0.368 20 0 CBADRP Cn1nccc1CNC(=O)[C@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553402125 923970770 /nfs/dbraw/zinc/97/07/70/923970770.db2.gz MFOSEFHTEDJSDG-BXUZGUMPSA-N 2 0 277.372 -0.422 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553400776 923971207 /nfs/dbraw/zinc/97/12/07/923971207.db2.gz AVJOFLBUQSJKFM-BJDJZHNGSA-N 2 0 253.346 -0.426 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553403208 923974126 /nfs/dbraw/zinc/97/41/26/923974126.db2.gz WKLACDQDMGQAPC-WOPDTQHZSA-N 2 0 253.346 -0.378 20 0 CBADRP Cn1cc(CCNC(=O)[C@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)cn1 ZINC001553403425 923974543 /nfs/dbraw/zinc/97/45/43/923974543.db2.gz YWABFGDGPGKTEP-UKRRQHHQSA-N 2 0 291.399 -0.380 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1)C1CC1 ZINC001553403914 923975337 /nfs/dbraw/zinc/97/53/37/923975337.db2.gz BJXLUDQHPFXDEC-WUHRBBMRSA-N 2 0 267.373 -0.038 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C[C@@H]1C[NH3+] ZINC001553404026 923975347 /nfs/dbraw/zinc/97/53/47/923975347.db2.gz BAVFYFHWUZSXAL-MOLYVOAJSA-N 2 0 267.373 -0.051 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553405060 923976673 /nfs/dbraw/zinc/97/66/73/923976673.db2.gz CVHLDAGZEUYYGQ-WTPMCQDGSA-N 2 0 253.346 -0.251 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC[C@@H]1F ZINC001553406283 923981992 /nfs/dbraw/zinc/98/19/92/923981992.db2.gz DOMDQNZWQCCNCR-GEVSDDDWSA-N 2 0 257.309 -0.597 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553408933 923983073 /nfs/dbraw/zinc/98/30/73/923983073.db2.gz KHQBIUPKQBRXHX-MQYQWHSLSA-N 2 0 296.415 -0.742 20 0 CBADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553409259 923983635 /nfs/dbraw/zinc/98/36/35/923983635.db2.gz MRMJQNLAEUIBIQ-OUAUKWLOSA-N 2 0 255.362 -0.038 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553409735 923984216 /nfs/dbraw/zinc/98/42/16/923984216.db2.gz KDYGCQNINNDUFF-MELADBBJSA-N 2 0 297.399 -0.267 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553409055 923984741 /nfs/dbraw/zinc/98/47/41/923984741.db2.gz KYFOIYLRYCXWBO-RHYQMDGZSA-N 2 0 253.346 -0.236 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553412500 923987334 /nfs/dbraw/zinc/98/73/34/923987334.db2.gz USBZTRRHLMRGME-FVCCEPFGSA-N 2 0 267.373 -0.036 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553412786 923987582 /nfs/dbraw/zinc/98/75/82/923987582.db2.gz OPHFLRHBZOOPJY-LPTSXCQYSA-N 2 0 265.357 -0.141 20 0 CBADRP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553413832 923988283 /nfs/dbraw/zinc/98/82/83/923988283.db2.gz WEUIRHLOHRWAEF-RHYQMDGZSA-N 2 0 253.346 -0.332 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553416769 923989358 /nfs/dbraw/zinc/98/93/58/923989358.db2.gz CNMFTMLIEDKCQG-BNDIWNMDSA-N 2 0 267.373 -0.132 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553415054 923990782 /nfs/dbraw/zinc/99/07/82/923990782.db2.gz YBRCRKRIOSGWMN-IHRRRGAJSA-N 2 0 297.399 -0.314 20 0 CBADRP O=C(Nc1ccn([C@@H]2CC[NH2+]C2)n1)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553414989 923991434 /nfs/dbraw/zinc/99/14/34/923991434.db2.gz XUXRIGNRXMETIC-WYUUTHIRSA-N 2 0 291.355 -0.125 20 0 CBADRP C[NH+](C)C1CC(CNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553419794 923992586 /nfs/dbraw/zinc/99/25/86/923992586.db2.gz HPRKNMNUVNJRIZ-UDSBESMDSA-N 2 0 267.373 -0.038 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553428167 923996022 /nfs/dbraw/zinc/99/60/22/923996022.db2.gz FYGXEIZDCNEAPE-XWLWVQCSSA-N 2 0 289.326 -0.133 20 0 CBADRP C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC[N@@H+]1C ZINC001553429287 923996706 /nfs/dbraw/zinc/99/67/06/923996706.db2.gz JYVXALIUESVIDK-LDMBFOFVSA-N 2 0 253.346 -0.285 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553429954 923996732 /nfs/dbraw/zinc/99/67/32/923996732.db2.gz LLXINFLUQCOTPR-AVGNSLFASA-N 2 0 282.388 -0.955 20 0 CBADRP CC1(C)CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C[C@@H]1[NH3+] ZINC001553437062 923998255 /nfs/dbraw/zinc/99/82/55/923998255.db2.gz YFQCSCWMCHXOQQ-NAKRPEOUSA-N 2 0 253.346 -0.299 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553432022 923998552 /nfs/dbraw/zinc/99/85/52/923998552.db2.gz QQIMDRZPAREXOF-NOOOWODRSA-N 2 0 253.346 -0.297 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CCNC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553431994 923998945 /nfs/dbraw/zinc/99/89/45/923998945.db2.gz QMKKACZZSLHAMT-RXGFPQBGSA-N 2 0 267.373 -0.132 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)C1 ZINC001553457006 924004828 /nfs/dbraw/zinc/00/48/28/924004828.db2.gz PNEGKGABTZQWKJ-LPWJVIDDSA-N 2 0 282.388 -0.447 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CC12CCOCC2)NC1CC[NH2+]CC1 ZINC001553490737 924009547 /nfs/dbraw/zinc/00/95/47/924009547.db2.gz OKZQMLSZZSWCIQ-GFCCVEGCSA-N 2 0 282.388 -0.194 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553493993 924009580 /nfs/dbraw/zinc/00/95/80/924009580.db2.gz FALWUENSNGGXRQ-VHSXEESVSA-N 2 0 256.350 -0.517 20 0 CBADRP [NH3+]C[C@@H](NC(=O)N[C@H]1C[NH2+]CC12CCOCC2)C1CC1 ZINC001553494355 924009947 /nfs/dbraw/zinc/00/99/47/924009947.db2.gz BUBLISWRDHAYER-NEPJUHHUSA-N 2 0 282.388 -0.209 20 0 CBADRP [NH3+]C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)C1CC1 ZINC001553494653 924010154 /nfs/dbraw/zinc/01/01/54/924010154.db2.gz CINZDDWPDGQSQR-MJBXVCDLSA-N 2 0 296.415 -0.036 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001553492757 924010836 /nfs/dbraw/zinc/01/08/36/924010836.db2.gz RGTFBVYYJLVELK-HNNXBMFYSA-N 2 0 295.431 -0.181 20 0 CBADRP [NH3+][C@]12CC[C@@H]1CN(C(=O)NC[C@H]1C[NH2+]CCO1)C2 ZINC001553499980 924011987 /nfs/dbraw/zinc/01/19/87/924011987.db2.gz AFDWUYIWLYCLGU-FOGDFJRCSA-N 2 0 254.334 -0.893 20 0 CBADRP O=C(NCC1C[NH2+]C1)N1CC[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001553497099 924012690 /nfs/dbraw/zinc/01/26/90/924012690.db2.gz ONJQJYFNADSUHH-RYUDHWBXSA-N 2 0 252.362 -0.153 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553496664 924013283 /nfs/dbraw/zinc/01/32/83/924013283.db2.gz MICAHAMQBLHCQV-QWRGUYRKSA-N 2 0 270.377 -0.127 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553498337 924013589 /nfs/dbraw/zinc/01/35/89/924013589.db2.gz TXRVQEFKUGCGBD-JHJVBQTASA-N 2 0 284.404 -0.036 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[C@H]2CC[NH2+]C[C@@H]2C1 ZINC001553501160 924013628 /nfs/dbraw/zinc/01/36/28/924013628.db2.gz GEEXXHDFQVCJCR-UPJWGTAASA-N 2 0 282.388 -0.384 20 0 CBADRP [NH3+][C@H](CNC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2)C1CC1 ZINC001553498655 924013885 /nfs/dbraw/zinc/01/38/85/924013885.db2.gz VCRSDUCRAVHUPY-VXGBXAGGSA-N 2 0 282.388 -0.127 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553498683 924013986 /nfs/dbraw/zinc/01/39/86/924013986.db2.gz VYMUCYBDYZUYQB-QWRGUYRKSA-N 2 0 270.377 -0.270 20 0 CBADRP [NH3+][C@H]1CN(C(=O)N[C@@H]2CCC[NH2+]C2)CC12CCOCC2 ZINC001553497769 924014274 /nfs/dbraw/zinc/01/42/74/924014274.db2.gz QSIMCKXDDIXPRP-NEPJUHHUSA-N 2 0 282.388 -0.112 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)N[C@@H]3CCC[NH2+]C3)C[C@H]2[NH3+])c1 ZINC001553497428 924014682 /nfs/dbraw/zinc/01/46/82/924014682.db2.gz PTCDIPFVHYACFX-IJLUTSLNSA-N 2 0 292.387 -0.392 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@H]2CC[NH2+]C[C@@H]2C1 ZINC001553503242 924015622 /nfs/dbraw/zinc/01/56/22/924015622.db2.gz JUZHYTFWKKPHMC-IJLUTSLNSA-N 2 0 252.362 -0.011 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553507184 924015665 /nfs/dbraw/zinc/01/56/65/924015665.db2.gz JXBZLYIDDDTMIY-QWRGUYRKSA-N 2 0 270.377 -0.338 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC001553502027 924016081 /nfs/dbraw/zinc/01/60/81/924016081.db2.gz JJEBIGFWYKANAL-AGIUHOORSA-N 2 0 282.388 -0.242 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553501932 924016251 /nfs/dbraw/zinc/01/62/51/924016251.db2.gz IUTDGPVLTUJNCG-RYUDHWBXSA-N 2 0 298.387 -0.957 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553504034 924016414 /nfs/dbraw/zinc/01/64/14/924016414.db2.gz QMAJHLAIPVYMGC-GHMZBOCLSA-N 2 0 270.377 -0.209 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553502795 924017055 /nfs/dbraw/zinc/01/70/55/924017055.db2.gz NHSSFZNHTWTBNU-MNOVXSKESA-N 2 0 270.377 -0.256 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001553505185 924017130 /nfs/dbraw/zinc/01/71/30/924017130.db2.gz SAKCLNFQXHTTFO-TZMCWYRMSA-N 2 0 282.388 -0.098 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553504038 924017475 /nfs/dbraw/zinc/01/74/75/924017475.db2.gz QMAJHLAIPVYMGC-MNOVXSKESA-N 2 0 270.377 -0.209 20 0 CBADRP [NH3+][C@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)CC12CCC2 ZINC001553512259 924018836 /nfs/dbraw/zinc/01/88/36/924018836.db2.gz DOGDQFNODKPPAU-MNOVXSKESA-N 2 0 268.361 -0.502 20 0 CBADRP [NH3+][C@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CC12CCOCC2 ZINC001553511015 924019219 /nfs/dbraw/zinc/01/92/19/924019219.db2.gz VGEPFKNGMZBPNM-QWRGUYRKSA-N 2 0 268.361 -0.502 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553511524 924019316 /nfs/dbraw/zinc/01/93/16/924019316.db2.gz UGXFVOSRTOUYCQ-GHMZBOCLSA-N 2 0 270.377 -0.256 20 0 CBADRP [NH3+][C@]12CC[C@@H]1CN(C(=O)NC[C@@H]1COCC[NH2+]1)C2 ZINC001553513842 924019434 /nfs/dbraw/zinc/01/94/34/924019434.db2.gz IYSZMVKKAQZPGM-FOGDFJRCSA-N 2 0 254.334 -0.893 20 0 CBADRP [NH3+][C@]12CC[C@@H]1CN(C(=O)NC[C@H]1COCC[NH2+]1)C2 ZINC001553513847 924020969 /nfs/dbraw/zinc/02/09/69/924020969.db2.gz IYSZMVKKAQZPGM-SCVCMEIPSA-N 2 0 254.334 -0.893 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553524396 924023340 /nfs/dbraw/zinc/02/33/40/924023340.db2.gz DZOPUMCAGZHYQS-IJLUTSLNSA-N 2 0 282.388 -0.256 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC001553526204 924023858 /nfs/dbraw/zinc/02/38/58/924023858.db2.gz IFYZLFZUWWKJIJ-DZGCQCFKSA-N 2 0 295.431 -0.007 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553529750 924024983 /nfs/dbraw/zinc/02/49/83/924024983.db2.gz NNQUKWJJESSSHB-UPJWGTAASA-N 2 0 296.415 -0.009 20 0 CBADRP [NH3+]CC1(CNC(=O)N[C@@H]2C[NH2+]CC23CCOCC3)CC1 ZINC001553533641 924025873 /nfs/dbraw/zinc/02/58/73/924025873.db2.gz ULGMPCUQGZALAO-LLVKDONJSA-N 2 0 282.388 -0.207 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001553529979 924026278 /nfs/dbraw/zinc/02/62/78/924026278.db2.gz PUYINKORLRFVFI-RISCZKNCSA-N 2 0 281.404 -0.458 20 0 CBADRP [NH3+]CC1CC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC001553537180 924028311 /nfs/dbraw/zinc/02/83/11/924028311.db2.gz FUGUJBNRVSXLLO-NWINJMCUSA-N 2 0 296.415 -0.036 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@H]1F)N1CCC[C@]12CC[NH2+]C2 ZINC001553545923 924028758 /nfs/dbraw/zinc/02/87/58/924028758.db2.gz TUWASTDJLMIUDM-CKYFFXLPSA-N 2 0 256.325 -0.166 20 0 CBADRP [NH3+]C1(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC001553541300 924029072 /nfs/dbraw/zinc/02/90/72/924029072.db2.gz XGKSFUHFPKYDGW-RYUDHWBXSA-N 2 0 282.388 -0.282 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N1CCC[C@]12CC[NH2+]C2 ZINC001553545925 924029573 /nfs/dbraw/zinc/02/95/73/924029573.db2.gz TUWASTDJLMIUDM-HOSYDEDBSA-N 2 0 256.325 -0.166 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N[C@@]12CCC[C@H]1C[NH2+]C2 ZINC001553545395 924029566 /nfs/dbraw/zinc/02/95/66/924029566.db2.gz SGZWYCHGUZHNQY-UXCLJVHYSA-N 2 0 256.325 -0.262 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422097836 282088963 /nfs/dbraw/zinc/08/89/63/282088963.db2.gz JEYHFGGPRFMETG-GFCCVEGCSA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NC2(C[NH3+])CCCC2)CC1=O ZINC000237161844 282103379 /nfs/dbraw/zinc/10/33/79/282103379.db2.gz UNBXIFVFSDTFGL-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NCC2([NH3+])CCC2)CC1=O ZINC000342606485 230231946 /nfs/dbraw/zinc/23/19/46/230231946.db2.gz MMBQZMOQXIWKIQ-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@@H](CNC(=O)NCC[NH+]1CCC1)C[NH+]1CCN(C)CC1 ZINC000337657066 214200066 /nfs/dbraw/zinc/20/00/66/214200066.db2.gz NXIVVKCGQWVYSQ-AWEZNQCLSA-N 2 0 297.447 -0.125 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000337413046 282129340 /nfs/dbraw/zinc/12/93/40/282129340.db2.gz ODIBBGVFLHVPFS-YPMHNXCESA-N 2 0 272.393 -0.308 20 0 CBADRP COCC1(C(=O)NC[C@@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000376560191 230255809 /nfs/dbraw/zinc/25/58/09/230255809.db2.gz CWFFLBNOPBPBGK-NSHDSACASA-N 2 0 255.362 -0.129 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@@H]21 ZINC000125345536 187180811 /nfs/dbraw/zinc/18/08/11/187180811.db2.gz VFIKDHMYUKCGPI-FRRDWIJNSA-N 2 0 267.373 -0.096 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000337790325 214264086 /nfs/dbraw/zinc/26/40/86/214264086.db2.gz BWJTUDUTFXYRQV-KGLIPLIRSA-N 2 0 298.431 -0.364 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000337710179 282142551 /nfs/dbraw/zinc/14/25/51/282142551.db2.gz BEOHJOMJRVQVSE-BXUZGUMPSA-N 2 0 284.404 -0.165 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000514671887 290643362 /nfs/dbraw/zinc/64/33/62/290643362.db2.gz IMSWKFZIMAIWSM-ZDUSSCGKSA-N 2 0 296.415 -0.344 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000493952267 230341550 /nfs/dbraw/zinc/34/15/50/230341550.db2.gz JGBPCEWULUJWPZ-SRVKXCTJSA-N 2 0 256.394 -0.278 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000419835283 290645056 /nfs/dbraw/zinc/64/50/56/290645056.db2.gz UWYRWNFYLSNBOI-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351561543 282183746 /nfs/dbraw/zinc/18/37/46/282183746.db2.gz YYHOWTPRTBOOPE-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[NH+](CC)CCCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000126069927 187215451 /nfs/dbraw/zinc/21/54/51/187215451.db2.gz UASQXXIWWOMMOE-ZDUSSCGKSA-N 2 0 286.420 -0.066 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](C(C)C)CC1 ZINC000126130153 187219174 /nfs/dbraw/zinc/21/91/74/187219174.db2.gz WSFSGZUCNRMJCO-ZDUSSCGKSA-N 2 0 284.404 -0.362 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC1CC[NH+](C)CC1 ZINC000126276427 187230005 /nfs/dbraw/zinc/23/00/05/187230005.db2.gz COLRKRAVFYHKOA-ZDUSSCGKSA-N 2 0 284.404 -0.456 20 0 CBADRP C[NH+](C)[C@@]1(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCSC1 ZINC000333139142 282230135 /nfs/dbraw/zinc/23/01/35/282230135.db2.gz CUAMPFKZFADXNQ-MPPDQPJWSA-N 2 0 284.429 -0.059 20 0 CBADRP CC[NH+](CC)CC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000573441399 334937775 /nfs/dbraw/zinc/93/77/75/334937775.db2.gz KXBVWIBMGDQTQH-UHFFFAOYSA-N 2 0 281.364 -0.505 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000423234643 282251783 /nfs/dbraw/zinc/25/17/83/282251783.db2.gz MFPKBZWPRBJZJG-LBPRGKRZSA-N 2 0 298.431 -0.018 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419133405 282257510 /nfs/dbraw/zinc/25/75/10/282257510.db2.gz GSBMXLHOUIFQKG-AGIUHOORSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000423254374 282260573 /nfs/dbraw/zinc/26/05/73/282260573.db2.gz XVWPXIZZGRZWOH-NSHDSACASA-N 2 0 282.388 -0.641 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000573486272 334941366 /nfs/dbraw/zinc/94/13/66/334941366.db2.gz KKAGDWPZTSQITJ-WOPDTQHZSA-N 2 0 280.372 -0.793 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351523156 219114039 /nfs/dbraw/zinc/11/40/39/219114039.db2.gz NKOPNZAOZBTBQB-XQQFMLRXSA-N 2 0 296.415 -0.156 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000351530231 219116091 /nfs/dbraw/zinc/11/60/91/219116091.db2.gz ADDWCXGSCBHURI-RWMBFGLXSA-N 2 0 294.399 -0.402 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000376923889 529902382 /nfs/dbraw/zinc/90/23/82/529902382.db2.gz UUNBIXFFSBIGAF-CQSZACIVSA-N 2 0 280.416 -0.071 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC1CC[NH+](C2CC2)CC1 ZINC000351544730 219121696 /nfs/dbraw/zinc/12/16/96/219121696.db2.gz VMBVGJMLVCKBML-ZDUSSCGKSA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351546307 219122051 /nfs/dbraw/zinc/12/20/51/219122051.db2.gz YREMMGNVTFAMGZ-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccoc2)CC1 ZINC000573557034 334946560 /nfs/dbraw/zinc/94/65/60/334946560.db2.gz NQGBLAUHHOSCOY-ZDUSSCGKSA-N 2 0 253.346 -0.023 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351546306 219123015 /nfs/dbraw/zinc/12/30/15/219123015.db2.gz YREMMGNVTFAMGZ-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351552430 219123984 /nfs/dbraw/zinc/12/39/84/219123984.db2.gz ALQRACFNGFPDAD-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000351553046 219124247 /nfs/dbraw/zinc/12/42/47/219124247.db2.gz CVLNMGYXGAAUHU-AVGNSLFASA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C(C)(C)C[NH+](C)C ZINC000351559707 219126522 /nfs/dbraw/zinc/12/65/22/219126522.db2.gz VKBXPARGTMZRIU-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000351556825 219126119 /nfs/dbraw/zinc/12/61/19/219126119.db2.gz HNAWCGKZSBPABA-UTUOFQBUSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351561547 219126835 /nfs/dbraw/zinc/12/68/35/219126835.db2.gz YYMLBDXWDKHBEI-WXHSDQCUSA-N 2 0 294.399 -0.547 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418391029 290713953 /nfs/dbraw/zinc/71/39/53/290713953.db2.gz PCMQXCKZHJXWRK-WCQYABFASA-N 2 0 272.393 -0.090 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351569028 219130931 /nfs/dbraw/zinc/13/09/31/219130931.db2.gz NJRXRJWRYGYHOY-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000576463543 335206977 /nfs/dbraw/zinc/20/69/77/335206977.db2.gz OSSMPHUHONFYST-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000351853184 219226865 /nfs/dbraw/zinc/22/68/65/219226865.db2.gz OERWMTWVSIMAIB-NEPJUHHUSA-N 2 0 255.362 -0.096 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)[C@@]2(CCOC)CC[NH2+]C2)C1 ZINC000361732262 290835273 /nfs/dbraw/zinc/83/52/73/290835273.db2.gz GUFSVJFLNRVYTQ-WCQYABFASA-N 2 0 255.362 -0.177 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000351996818 219281924 /nfs/dbraw/zinc/28/19/24/219281924.db2.gz VRDMTKQJBPDWNT-JQWIXIFHSA-N 2 0 272.393 -0.425 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000339580650 215255528 /nfs/dbraw/zinc/25/55/28/215255528.db2.gz IZUZTHIQEFRYIJ-GFCCVEGCSA-N 2 0 286.420 -0.099 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)NCCC[NH+]1CCCC1 ZINC000091299341 180126143 /nfs/dbraw/zinc/12/61/43/180126143.db2.gz HKPQSXWXZIRGKW-LBPRGKRZSA-N 2 0 255.362 -0.033 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000091300380 180127667 /nfs/dbraw/zinc/12/76/67/180127667.db2.gz WFNRVPCCBONVLC-DGCLKSJQSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000092135649 180332785 /nfs/dbraw/zinc/33/27/85/180332785.db2.gz WUECPPSNZMAXAD-GFCCVEGCSA-N 2 0 256.394 -0.404 20 0 CBADRP CCCNC(=O)CN(C)C(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575850 186179220 /nfs/dbraw/zinc/17/92/20/186179220.db2.gz BJXANSNKOWQNBK-TXEJJXNPSA-N 2 0 282.388 -0.878 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000131096214 282711614 /nfs/dbraw/zinc/71/16/14/282711614.db2.gz LUFCZDKXFDFBFX-CYBMUJFWSA-N 2 0 268.405 -0.036 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2CCC[NH2+]C2)CC1=O ZINC000129980620 187464482 /nfs/dbraw/zinc/46/44/82/187464482.db2.gz BFVWIMLNGNXDCY-QWHCGFSZSA-N 2 0 296.415 -0.488 20 0 CBADRP CCN(CC)C(=O)C[N@@H+]1CCCN(CC[NH3+])CC1 ZINC000037039720 351396883 /nfs/dbraw/zinc/39/68/83/351396883.db2.gz UGNXVAICCQONFG-UHFFFAOYSA-N 2 0 256.394 -0.179 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000042171270 351427880 /nfs/dbraw/zinc/42/78/80/351427880.db2.gz QACWFBDFBVSNPY-CYBMUJFWSA-N 2 0 268.405 -0.118 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000042795838 351438415 /nfs/dbraw/zinc/43/84/15/351438415.db2.gz VKXDRDVSMNTDLT-UHFFFAOYSA-N 2 0 284.404 -0.536 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000043708251 351442619 /nfs/dbraw/zinc/44/26/19/351442619.db2.gz FMNWYLJDLHLOEU-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC2CC[NH+](C)CC2)C1 ZINC000044526652 351444595 /nfs/dbraw/zinc/44/45/95/351444595.db2.gz KTJYFODDOIRKFW-NWDGAFQWSA-N 2 0 255.362 -0.179 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000037826882 351408558 /nfs/dbraw/zinc/40/85/58/351408558.db2.gz LZZQPCNWVYVSIA-UHFFFAOYSA-N 2 0 255.362 -0.081 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000037826840 351409377 /nfs/dbraw/zinc/40/93/77/351409377.db2.gz YROXGBQYBBVXIN-LBPRGKRZSA-N 2 0 255.362 -0.081 20 0 CBADRP CC(C)[C@@H](CNC(=O)[C@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000040770463 351418064 /nfs/dbraw/zinc/41/80/64/351418064.db2.gz GKNDJSKGRRQDLR-NWDGAFQWSA-N 2 0 256.394 -0.278 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)CC[NH2+]C2CC2)CC1 ZINC000040808863 351418855 /nfs/dbraw/zinc/41/88/55/351418855.db2.gz ZKRMSOTYDRMLRF-UHFFFAOYSA-N 2 0 268.405 -0.118 20 0 CBADRP CC1CC[NH+](CCCNC(=O)CNC(=O)C[NH3+])CC1 ZINC000040833032 351421120 /nfs/dbraw/zinc/42/11/20/351421120.db2.gz RDSCBZOTFUXDRH-UHFFFAOYSA-N 2 0 270.377 -0.701 20 0 CBADRP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298909 351526038 /nfs/dbraw/zinc/52/60/38/351526038.db2.gz ZIUUGTDGOHTEBA-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000053298640 351526209 /nfs/dbraw/zinc/52/62/09/351526209.db2.gz LMIQMLFRUIBPIA-LBPRGKRZSA-N 2 0 255.362 -0.081 20 0 CBADRP CC[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000053298637 351526298 /nfs/dbraw/zinc/52/62/98/351526298.db2.gz LMIQMLFRUIBPIA-GFCCVEGCSA-N 2 0 255.362 -0.081 20 0 CBADRP CC(C)[C@H](CNC(=O)[C@H](C)C[NH3+])[NH+]1CCN(C)CC1 ZINC000054343517 351534740 /nfs/dbraw/zinc/53/47/40/351534740.db2.gz BHKSPPHDOARNDU-OLZOCXBDSA-N 2 0 270.421 -0.031 20 0 CBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[NH+](C2CCCC2)CC1 ZINC000052062710 351516984 /nfs/dbraw/zinc/51/69/84/351516984.db2.gz HMUWQSTWEJFREW-QWHCGFSZSA-N 2 0 267.373 -0.204 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000062856129 351576639 /nfs/dbraw/zinc/57/66/39/351576639.db2.gz UIVVUQRLYOLTQS-CQSZACIVSA-N 2 0 268.405 -0.260 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)CNC(=O)C[NH3+])C1 ZINC000062972743 351577675 /nfs/dbraw/zinc/57/76/75/351577675.db2.gz MHPZZJLKMSANIO-SNVBAGLBSA-N 2 0 256.350 -0.996 20 0 CBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973503 351578122 /nfs/dbraw/zinc/57/81/22/351578122.db2.gz CJKWUIOLBDGFKV-FRRDWIJNSA-N 2 0 267.373 -0.204 20 0 CBADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180392 351581954 /nfs/dbraw/zinc/58/19/54/351581954.db2.gz SRHYEMINTYZBQQ-QWRGUYRKSA-N 2 0 282.388 -0.560 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070174614 351635696 /nfs/dbraw/zinc/63/56/96/351635696.db2.gz YVUAMQCMEJMXFQ-ZJUUUORDSA-N 2 0 256.350 -0.109 20 0 CBADRP C[NH2+]CCC1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000070189602 351637049 /nfs/dbraw/zinc/63/70/49/351637049.db2.gz APPSJMSDDOFILX-UHFFFAOYSA-N 2 0 256.350 -0.107 20 0 CBADRP COCCOCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000070481631 351640275 /nfs/dbraw/zinc/64/02/75/351640275.db2.gz VMCLWQXLSGUHPM-GFCCVEGCSA-N 2 0 273.377 -0.564 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000068807466 351621753 /nfs/dbraw/zinc/62/17/53/351621753.db2.gz GQXHIRJALSLZBH-SRVKXCTJSA-N 2 0 256.394 -0.278 20 0 CBADRP CC(C)[C@@H](C[NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000068805676 351622263 /nfs/dbraw/zinc/62/22/63/351622263.db2.gz USHLHZMWACQYFN-NWDGAFQWSA-N 2 0 256.394 -0.421 20 0 CBADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000068807938 351623005 /nfs/dbraw/zinc/62/30/05/351623005.db2.gz GQXHIRJALSLZBH-QJPTWQEYSA-N 2 0 256.394 -0.278 20 0 CBADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000111611853 351803901 /nfs/dbraw/zinc/80/39/01/351803901.db2.gz FYJUFJORMYYZOH-NSHDSACASA-N 2 0 255.362 -0.096 20 0 CBADRP CNC(=O)NC(=O)CC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000104135374 351789221 /nfs/dbraw/zinc/78/92/21/351789221.db2.gz GMAVJAVGOYBWFD-VIFPVBQESA-N 2 0 256.350 -0.109 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)O1 ZINC000094573150 351763934 /nfs/dbraw/zinc/76/39/34/351763934.db2.gz XRTGPLKHNBNGAT-LOWDOPEQSA-N 2 0 283.372 -0.528 20 0 CBADRP CC(C)[C@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[NH+](C)C ZINC000122181490 187019616 /nfs/dbraw/zinc/01/96/16/187019616.db2.gz YQRBOTOESGIXFT-CQSZACIVSA-N 2 0 298.431 -0.195 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000114076519 351816197 /nfs/dbraw/zinc/81/61/97/351816197.db2.gz ZBHBNIROCTXJMC-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CNC(=O)C[NH3+] ZINC000125244222 351856491 /nfs/dbraw/zinc/85/64/91/351856491.db2.gz AMORBOOZIAGFIA-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP C[N@@H+]1CCN(C(=O)CNC(=O)C[NH3+])C2(CCCCC2)C1 ZINC000125249986 351856780 /nfs/dbraw/zinc/85/67/80/351856780.db2.gz DZOASZSSMDWQQH-UHFFFAOYSA-N 2 0 282.388 -0.462 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000120620234 351842681 /nfs/dbraw/zinc/84/26/81/351842681.db2.gz WBNZSXHEPNUPCQ-YPMHNXCESA-N 2 0 289.445 -0.148 20 0 CBADRP CC(C)[NH+](C/C=C/C[N@H+](CC(N)=O)C(C)C)CC(N)=O ZINC000120769937 351843251 /nfs/dbraw/zinc/84/32/51/351843251.db2.gz KTTGLWPRCFMADC-AATRIKPKSA-N 2 0 284.404 -0.066 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)NCCN1CC[NH2+]CC1 ZINC000130938649 351882974 /nfs/dbraw/zinc/88/29/74/351882974.db2.gz ZUPYIWRRSZSCTD-NSHDSACASA-N 2 0 272.418 -0.897 20 0 CBADRP CC[C@@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[NH+](C)C ZINC000130103116 351877081 /nfs/dbraw/zinc/87/70/81/351877081.db2.gz IDLSWEVABXHKKT-LBPRGKRZSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000130455098 351879111 /nfs/dbraw/zinc/87/91/11/351879111.db2.gz IACHLJUKXVNHCI-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[C@@H]([NH3+])C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000152868968 351941809 /nfs/dbraw/zinc/94/18/09/351941809.db2.gz KUBPXRXSBWEEDC-NWDGAFQWSA-N 2 0 257.378 -0.067 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+](C)C ZINC000133652038 351900726 /nfs/dbraw/zinc/90/07/26/351900726.db2.gz WEZFSQUQLSMZCA-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000133631897 351900828 /nfs/dbraw/zinc/90/08/28/351900828.db2.gz ZIOYTLQMVWUTDU-GMTAPVOTSA-N 2 0 268.361 -0.144 20 0 CBADRP Cn1cc(C[NH2+]CCC2CC[NH+](C)CC2)c(=O)n(C)c1=O ZINC000134403082 351905574 /nfs/dbraw/zinc/90/55/74/351905574.db2.gz QWIYQHMBJOLOTP-UHFFFAOYSA-N 2 0 294.399 -0.095 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157780426 351958047 /nfs/dbraw/zinc/95/80/47/351958047.db2.gz XLLBQCFHNUCMPU-CHWSQXEVSA-N 2 0 266.389 -0.365 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000167411983 351989505 /nfs/dbraw/zinc/98/95/05/351989505.db2.gz ZRUQXKQDZXWATK-CYBMUJFWSA-N 2 0 294.399 -0.495 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000167403924 351989755 /nfs/dbraw/zinc/98/97/55/351989755.db2.gz RMEIVAWDMGEICU-UHFFFAOYSA-N 2 0 284.404 -0.264 20 0 CBADRP CC(C)[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)N1CCOCC1 ZINC000174506598 352047070 /nfs/dbraw/zinc/04/70/70/352047070.db2.gz VDQIQZMPURQFIU-KGLIPLIRSA-N 2 0 299.415 -0.210 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2CCC[NH2+]2)CC1=O ZINC000178753981 352083925 /nfs/dbraw/zinc/08/39/25/352083925.db2.gz ZUIMQQYGEPWEBZ-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000178794698 352083981 /nfs/dbraw/zinc/08/39/81/352083981.db2.gz WEILMNYARHKXJT-CQSZACIVSA-N 2 0 297.399 -0.454 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000178874204 352084277 /nfs/dbraw/zinc/08/42/77/352084277.db2.gz LWDUUOVQNHZRDF-ZDUSSCGKSA-N 2 0 268.405 -0.260 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000178880714 352084760 /nfs/dbraw/zinc/08/47/60/352084760.db2.gz LQVUZNDVPYRNAV-NEPJUHHUSA-N 2 0 256.394 -0.278 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000178881949 352084872 /nfs/dbraw/zinc/08/48/72/352084872.db2.gz WBLGPDHXLQNJKJ-QWHCGFSZSA-N 2 0 268.405 -0.119 20 0 CBADRP C[NH2+]CC(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000178884861 352086009 /nfs/dbraw/zinc/08/60/09/352086009.db2.gz UHJYOLPKOIFXLH-CQSZACIVSA-N 2 0 298.431 -0.541 20 0 CBADRP CS(=O)(=O)N[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178974193 352086440 /nfs/dbraw/zinc/08/64/40/352086440.db2.gz JVMDNDDAGJQVBR-NSHDSACASA-N 2 0 261.391 -0.391 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCNC1=O ZINC000179302269 352089156 /nfs/dbraw/zinc/08/91/56/352089156.db2.gz SZVQWAMPVOBHME-LBPRGKRZSA-N 2 0 254.378 -0.556 20 0 CBADRP OC(CN1CCC[C@H](O)C1)C[N@@H+]1CCC[C@H](O)C1 ZINC000181774454 352100950 /nfs/dbraw/zinc/10/09/50/352100950.db2.gz BYBYNOZGNMRJCA-RYUDHWBXSA-N 2 0 258.362 -0.739 20 0 CBADRP C[N@@H+](CCCC(=O)NC(N)=O)CCCN1CC[NH+](C)CC1 ZINC000182950954 352105946 /nfs/dbraw/zinc/10/59/46/352105946.db2.gz DLQKKAKCEAMLOU-UHFFFAOYSA-N 2 0 299.419 -0.469 20 0 CBADRP CC[N@@H+]1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)[C@H](C)C1 ZINC000185204563 352117409 /nfs/dbraw/zinc/11/74/09/352117409.db2.gz CKWFJERZPZGNTK-GHMZBOCLSA-N 2 0 268.361 -0.142 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188728711 352157602 /nfs/dbraw/zinc/15/76/02/352157602.db2.gz BETBISMNPVMOSK-UHFFFAOYSA-N 2 0 295.387 -0.247 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188754841 352158133 /nfs/dbraw/zinc/15/81/33/352158133.db2.gz HPPXSKQWICTMGB-QJPTWQEYSA-N 2 0 273.352 -0.087 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000189262983 352166144 /nfs/dbraw/zinc/16/61/44/352166144.db2.gz LCHROJYEZSLICL-QJPTWQEYSA-N 2 0 271.361 -0.848 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000187901456 352144068 /nfs/dbraw/zinc/14/40/68/352144068.db2.gz MITVSFYBRJWCEX-RFQIPJPRSA-N 2 0 299.415 -0.021 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)C1 ZINC000187912125 352144472 /nfs/dbraw/zinc/14/44/72/352144472.db2.gz DMKJWVPMZKCEAI-SDDRHHMPSA-N 2 0 255.362 -0.179 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188185248 352148297 /nfs/dbraw/zinc/14/82/97/352148297.db2.gz PVZUNRPHBZSNMB-VIFPVBQESA-N 2 0 263.345 -0.215 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188251927 352149285 /nfs/dbraw/zinc/14/92/85/352149285.db2.gz VDUWZAITXTUFIP-VXGBXAGGSA-N 2 0 255.362 -0.225 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188215732 352149310 /nfs/dbraw/zinc/14/93/10/352149310.db2.gz XXQHLJJAVDTPTG-QJPTWQEYSA-N 2 0 255.362 -0.036 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188251905 352149443 /nfs/dbraw/zinc/14/94/43/352149443.db2.gz VDUWZAITXTUFIP-NWDGAFQWSA-N 2 0 255.362 -0.225 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)C[C@@H]1N1CCOCC1 ZINC000188269544 352149796 /nfs/dbraw/zinc/14/97/96/352149796.db2.gz CCUBOSBKJIFLRB-FRRDWIJNSA-N 2 0 283.372 -0.846 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000219035877 352236636 /nfs/dbraw/zinc/23/66/36/352236636.db2.gz PJTLRAZBLGZQDK-YPMHNXCESA-N 2 0 286.420 -0.068 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000193669026 352208359 /nfs/dbraw/zinc/20/83/59/352208359.db2.gz RWJMLHAOIKMSRJ-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP CN1CC[C@@H]([N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000227186939 352255387 /nfs/dbraw/zinc/25/53/87/352255387.db2.gz GBKRXNILBLYZMU-GHMZBOCLSA-N 2 0 268.361 -0.996 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000227578138 352258108 /nfs/dbraw/zinc/25/81/08/352258108.db2.gz BQVCSKYAONEGMD-JQWIXIFHSA-N 2 0 253.346 -0.282 20 0 CBADRP Cn1c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc(=O)n(C)c1=O ZINC000228475702 352262274 /nfs/dbraw/zinc/26/22/74/352262274.db2.gz NTTFLMMHDFFPDQ-CYZMBNFOSA-N 2 0 292.383 -0.357 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCCC[NH3+] ZINC000228908392 352265854 /nfs/dbraw/zinc/26/58/54/352265854.db2.gz NUISBJLCRBCTAP-GIPNMCIBSA-N 2 0 255.362 -0.016 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C[NH2+]CC1CC1 ZINC000225353570 352246998 /nfs/dbraw/zinc/24/69/98/352246998.db2.gz FRAHEVFOKZCCHY-LBPRGKRZSA-N 2 0 254.378 -0.652 20 0 CBADRP C[C@@H](CNC(=O)C[C@H]1C[NH2+]CCO1)[N@H+](C)C1CC1 ZINC000226399338 352252190 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CC(C)[C@H]([NH3+])C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000236784677 352294398 /nfs/dbraw/zinc/29/43/98/352294398.db2.gz SDKNQLMWLXEZGQ-NEPJUHHUSA-N 2 0 256.394 -0.278 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000236874860 352295065 /nfs/dbraw/zinc/29/50/65/352295065.db2.gz VDUWZAITXTUFIP-NEPJUHHUSA-N 2 0 255.362 -0.225 20 0 CBADRP CC[NH2+]CCNC(=O)CCN1CC[NH+](CC)CC1 ZINC000236897096 352296092 /nfs/dbraw/zinc/29/60/92/352296092.db2.gz RBLBHVLLWYFHQQ-UHFFFAOYSA-N 2 0 256.394 -0.260 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000237083675 352298927 /nfs/dbraw/zinc/29/89/27/352298927.db2.gz KBPIJAQFBGUSJF-CYBMUJFWSA-N 2 0 268.405 -0.119 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C[NH2+]C1CC1 ZINC000237137676 352299815 /nfs/dbraw/zinc/29/98/15/352299815.db2.gz CMWPXBNQIRPYAE-UHFFFAOYSA-N 2 0 268.405 -0.166 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([NH3+])CC2)CC1=O ZINC000237161565 352300204 /nfs/dbraw/zinc/30/02/04/352300204.db2.gz YEQUWOBBSUJEDX-LLVKDONJSA-N 2 0 282.388 -0.654 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]([NH3+])C2CC2)CC1=O ZINC000237162234 352300271 /nfs/dbraw/zinc/30/02/71/352300271.db2.gz IDWCOHFDXRMCAV-NEPJUHHUSA-N 2 0 282.388 -0.750 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H](C[NH3+])C2CC2)CC1=O ZINC000237162325 352300528 /nfs/dbraw/zinc/30/05/28/352300528.db2.gz SFQIHRZFYCHIAR-NEPJUHHUSA-N 2 0 282.388 -0.750 20 0 CBADRP C[NH2+]CC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000237198231 352301777 /nfs/dbraw/zinc/30/17/77/352301777.db2.gz YOVATWTWQMJDSA-GFCCVEGCSA-N 2 0 255.362 -0.223 20 0 CBADRP C[C@@H](CNC(=O)C[NH2+]C1CC1)C[NH+]1CCN(C)CC1 ZINC000237545327 352307385 /nfs/dbraw/zinc/30/73/85/352307385.db2.gz SJLQPBFPJTYSKD-LBPRGKRZSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@](C[NH3+])(NC(=O)C[NH2+]C[C@H]1CCCO1)C1CC1 ZINC000237594229 352307484 /nfs/dbraw/zinc/30/74/84/352307484.db2.gz CQQADWJEPQVYRM-DGCLKSJQSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 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CBADRP C[N@@H+]1CCC[C@@H]2CN(CC(=O)N3CCNC3=O)CC[C@H]21 ZINC000247286441 352344642 /nfs/dbraw/zinc/34/46/42/352344642.db2.gz TWOFLYQSWSIHBJ-VXGBXAGGSA-N 2 0 280.372 -0.046 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000250369163 352372005 /nfs/dbraw/zinc/37/20/05/352372005.db2.gz VISVJCYAWHDIRU-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP CCNC(=O)NC(=O)[C@H](C)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000250303076 352372299 /nfs/dbraw/zinc/37/22/99/352372299.db2.gz QWMBEDSOZUPLSP-GUBZILKMSA-N 2 0 256.350 -0.110 20 0 CBADRP C[N@@H+]1CCC[C@@H](CNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000250615009 352373212 /nfs/dbraw/zinc/37/32/12/352373212.db2.gz NQXSVKFKPMTYTN-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1CCC[NH2+]C1 ZINC000250521524 352373302 /nfs/dbraw/zinc/37/33/02/352373302.db2.gz LITFGCKVBFJIQI-FRRDWIJNSA-N 2 0 267.373 -0.035 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000250487171 352373320 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C[C@@H]1C[N@@H+](C2CCN(C(=O)C3C[NH2+]C3)CC2)CCO1 ZINC000262207185 352409965 /nfs/dbraw/zinc/40/99/65/352409965.db2.gz IEIHGEFRUAFZQJ-LLVKDONJSA-N 2 0 267.373 -0.083 20 0 CBADRP O=C(CN1CC[NH+](CC2CC[NH2+]CC2)CC1)NC1CC1 ZINC000262283635 352414257 /nfs/dbraw/zinc/41/42/57/352414257.db2.gz VACLPMGNRUFGSA-UHFFFAOYSA-N 2 0 280.416 -0.118 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000262313939 352415645 /nfs/dbraw/zinc/41/56/45/352415645.db2.gz BTHMZXBSOPMGRE-IJLUTSLNSA-N 2 0 255.362 -0.443 20 0 CBADRP CC[C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CC[N@@H+]1CCOC ZINC000262345094 352416973 /nfs/dbraw/zinc/41/69/73/352416973.db2.gz ILOWQKWQJWGTGF-ZIAGYGMSSA-N 2 0 299.415 -0.066 20 0 CBADRP CC[C@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CC[N@@H+]1CCOC ZINC000262345091 352417081 /nfs/dbraw/zinc/41/70/81/352417081.db2.gz ILOWQKWQJWGTGF-KGLIPLIRSA-N 2 0 299.415 -0.066 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262367261 352418950 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CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH2+]C)CC1=O ZINC000262568146 352426583 /nfs/dbraw/zinc/42/65/83/352426583.db2.gz FPKRHJNHQXGFPT-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@H]([NH3+])C(=O)NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000262638010 352429374 /nfs/dbraw/zinc/42/93/74/352429374.db2.gz IPGDXLJCMXQKCP-NEPJUHHUSA-N 2 0 256.394 -0.134 20 0 CBADRP [NH3+]CCN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000263066506 352437689 /nfs/dbraw/zinc/43/76/89/352437689.db2.gz WABZTOXCRUVUPB-NEPJUHHUSA-N 2 0 254.378 -0.475 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)C[C@@H]2COCC[NH2+]2)CCSC1 ZINC000262022633 352404079 /nfs/dbraw/zinc/40/40/79/352404079.db2.gz ANMJOSUUIVJUCV-YPMHNXCESA-N 2 0 287.429 -0.082 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)C[C@H]2COCC[NH2+]2)CCSC1 ZINC000262022626 352404274 /nfs/dbraw/zinc/40/42/74/352404274.db2.gz ANMJOSUUIVJUCV-AAEUAGOBSA-N 2 0 287.429 -0.082 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)C[C@H]21 ZINC000262039925 352404278 /nfs/dbraw/zinc/40/42/78/352404278.db2.gz HOKKVNFRGWJAKW-MGPQQGTHSA-N 3 0 280.416 -0.133 20 0 CBADRP CC[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[N@@H+]1C[C@@H](C)O ZINC000262058140 352405192 /nfs/dbraw/zinc/40/51/92/352405192.db2.gz RLQCQFFGJIJNLH-RQJABVFESA-N 2 0 299.415 -0.204 20 0 CBADRP COC[C@@](C)(CCO)[NH2+]CCC(=O)N1CC[NH2+]CC1 ZINC000262093387 352406354 /nfs/dbraw/zinc/40/63/54/352406354.db2.gz LOPUZXBMPULPNM-CYBMUJFWSA-N 2 0 273.377 -0.815 20 0 CBADRP NC(=O)C[C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262146687 352407898 /nfs/dbraw/zinc/40/78/98/352407898.db2.gz OYIKSQDIOONNAF-GFCCVEGCSA-N 2 0 282.388 -0.604 20 0 CBADRP CN1CCO[C@@H](CNC(=O)N2CCn3cncc3C2)C1 ZINC000291111373 352681596 /nfs/dbraw/zinc/68/15/96/352681596.db2.gz XBOIAVJHWXSNHU-LBPRGKRZSA-N 2 0 279.344 -0.261 20 0 CBADRP CN(C)S(=O)(=O)CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000310909925 352763089 /nfs/dbraw/zinc/76/30/89/352763089.db2.gz GXGPQUVOFGPSBD-TUAOUCFPSA-N 2 0 275.418 -0.063 20 0 CBADRP CN(C)S(=O)(=O)CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000310909923 352763451 /nfs/dbraw/zinc/76/34/51/352763451.db2.gz GXGPQUVOFGPSBD-SRVKXCTJSA-N 2 0 275.418 -0.063 20 0 CBADRP CC(C)[N@H+](C)C[C@H](O)Cn1cc(CCC[NH3+])nn1 ZINC000310923127 352764370 /nfs/dbraw/zinc/76/43/70/352764370.db2.gz CTPUNHAXLFPXJR-LBPRGKRZSA-N 2 0 255.366 -0.130 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311769965 352770436 /nfs/dbraw/zinc/77/04/36/352770436.db2.gz XAPVTSTVHSXFGF-GARJFASQSA-N 2 0 268.361 -0.238 20 0 CBADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000331367810 352909536 /nfs/dbraw/zinc/90/95/36/352909536.db2.gz BQHWIDZUYWIBFL-WCQYABFASA-N 2 0 294.399 -0.321 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)[NH2+]1 ZINC000331378225 352910486 /nfs/dbraw/zinc/91/04/86/352910486.db2.gz HUPIOECCTTXLPZ-TUAOUCFPSA-N 2 0 294.399 -0.452 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000331411185 352912468 /nfs/dbraw/zinc/91/24/68/352912468.db2.gz RMJBHYPPFAPQHO-MDZLAQPJSA-N 2 0 294.399 -0.594 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]1 ZINC000331452773 352916032 /nfs/dbraw/zinc/91/60/32/352916032.db2.gz ZKABQYJMYUFLFC-MNOVXSKESA-N 2 0 280.372 -0.840 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000331472269 352917744 /nfs/dbraw/zinc/91/77/44/352917744.db2.gz OHUMQJUIQSVNAK-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@@H]1[NH3+] ZINC000331515461 352920704 /nfs/dbraw/zinc/92/07/04/352920704.db2.gz BYBNPHBTVUOGFS-QWRGUYRKSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C[C@@H]1[NH3+] ZINC000331579228 352925873 /nfs/dbraw/zinc/92/58/73/352925873.db2.gz LJUCQNJLYJSPFR-NEPJUHHUSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@H](C)[NH2+]1 ZINC000331913145 352927631 /nfs/dbraw/zinc/92/76/31/352927631.db2.gz SZVVJDLXBHILIA-RYUDHWBXSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332620042 352970735 /nfs/dbraw/zinc/97/07/35/352970735.db2.gz TYUYAQRXEJTZLR-UPJWGTAASA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC[NH2+]1 ZINC000332650723 352972550 /nfs/dbraw/zinc/97/25/50/352972550.db2.gz UKLIQOVLAVTZOR-JHJVBQTASA-N 2 0 294.399 -0.498 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332664692 352973635 /nfs/dbraw/zinc/97/36/35/352973635.db2.gz XUWSSCXLJISSHB-NWDGAFQWSA-N 2 0 280.372 -0.887 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332664691 352973854 /nfs/dbraw/zinc/97/38/54/352973854.db2.gz XUWSSCXLJISSHB-NEPJUHHUSA-N 2 0 280.372 -0.887 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000332196666 352939529 /nfs/dbraw/zinc/93/95/29/352939529.db2.gz CMZOTCSBBMUUSY-YNEHKIRRSA-N 2 0 294.399 -0.498 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000332192145 352939720 /nfs/dbraw/zinc/93/97/20/352939720.db2.gz BAZGVWYZZPZZPD-NWDGAFQWSA-N 2 0 280.372 -0.887 20 0 CBADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000332229513 352940047 /nfs/dbraw/zinc/94/00/47/352940047.db2.gz LSTXPURSNWXAEZ-YNEHKIRRSA-N 2 0 294.399 -0.369 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000332247875 352941241 /nfs/dbraw/zinc/94/12/41/352941241.db2.gz AZYYSTDPVNIRRO-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000332259181 352941270 /nfs/dbraw/zinc/94/12/70/352941270.db2.gz ALCKEIIBPHADGL-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC[NH2+]1 ZINC000332306607 352943391 /nfs/dbraw/zinc/94/33/91/352943391.db2.gz WKPIXBINSAVPQP-UPJWGTAASA-N 2 0 294.399 -0.641 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([NH2+]C)C2)CC1 ZINC000332379109 352947162 /nfs/dbraw/zinc/94/71/62/352947162.db2.gz XLMKFHYKAIEWBS-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000332578858 352968763 /nfs/dbraw/zinc/96/87/63/352968763.db2.gz AMSGJANYSAUXOS-YNEHKIRRSA-N 2 0 294.399 -0.369 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C[C@H](C)[NH2+]1 ZINC000332600820 352969900 /nfs/dbraw/zinc/96/99/00/352969900.db2.gz CWUCYMRHMJKYGK-FRRDWIJNSA-N 2 0 294.399 -0.498 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[N@@H+]1C1CC1 ZINC000333136892 352999988 /nfs/dbraw/zinc/99/99/88/352999988.db2.gz CMBWOBWILPHKJS-URBCHYCLSA-N 2 0 282.388 -0.414 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[NH+](CC2CC2)CC1 ZINC000333561231 353003548 /nfs/dbraw/zinc/00/35/48/353003548.db2.gz QRKYEWVXVKZLEY-ZDUSSCGKSA-N 2 0 282.388 -0.288 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H]1C ZINC000333860098 353012741 /nfs/dbraw/zinc/01/27/41/353012741.db2.gz RVVHYBKWCYAFQR-FHUSYTEZSA-N 2 0 282.388 -0.699 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333893510 353013232 /nfs/dbraw/zinc/01/32/32/353013232.db2.gz YPQFNTQMDHENKS-MGPQQGTHSA-N 2 0 295.431 -0.327 20 0 CBADRP CN(C(=O)NCC1([NH+](C)C)CCCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333912345 353013731 /nfs/dbraw/zinc/01/37/31/353013731.db2.gz LUCQIHCPSHOWDS-RYUDHWBXSA-N 2 0 284.404 -0.165 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C1([NH3+])CCOCC1 ZINC000338137420 353086518 /nfs/dbraw/zinc/08/65/18/353086518.db2.gz BHGPVTISSROBKQ-GFCCVEGCSA-N 2 0 287.404 -0.033 20 0 CBADRP C[NH+](C)CC(=O)NC1CCC(NC(=O)C[NH+](C)C)CC1 ZINC000339009387 353128464 /nfs/dbraw/zinc/12/84/64/353128464.db2.gz ILUDKSFINHUZLB-UHFFFAOYSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000339582983 353135728 /nfs/dbraw/zinc/13/57/28/353135728.db2.gz PXKVHRWTEMKLHK-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000340117772 353151968 /nfs/dbraw/zinc/15/19/68/353151968.db2.gz FLDTWYINYGUPBD-YNEHKIRRSA-N 2 0 296.415 -0.183 20 0 CBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@@H](C)[NH3+])CC1 ZINC000340184018 353155004 /nfs/dbraw/zinc/15/50/04/353155004.db2.gz OVGKNVBLNTUQDH-SNVBAGLBSA-N 2 0 271.361 -0.275 20 0 CBADRP C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000340700263 353182475 /nfs/dbraw/zinc/18/24/75/353182475.db2.gz LJBBZETYGGJNFC-KGLIPLIRSA-N 2 0 271.405 -0.389 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000341253654 353207529 /nfs/dbraw/zinc/20/75/29/353207529.db2.gz DDRBJEHDMDOIJJ-NEPJUHHUSA-N 2 0 255.362 -0.083 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000342763697 353232027 /nfs/dbraw/zinc/23/20/27/353232027.db2.gz DFZKKVSWAGEESN-JTQLQIEISA-N 2 0 257.334 -0.523 20 0 CBADRP CNS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342102294 353219428 /nfs/dbraw/zinc/21/94/28/353219428.db2.gz LVOFPDASYGJJGR-SRVKXCTJSA-N 2 0 275.418 -0.015 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000342693979 353228270 /nfs/dbraw/zinc/22/82/70/353228270.db2.gz FSBZPOVVGUZNMC-NEPJUHHUSA-N 2 0 282.388 -0.558 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)OC)C1 ZINC000342695930 353228335 /nfs/dbraw/zinc/22/83/35/353228335.db2.gz GXMHMZMXYLDZHK-MNOVXSKESA-N 2 0 287.360 -0.896 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2CC[NH2+]C2)CC1=O ZINC000342699728 353228424 /nfs/dbraw/zinc/22/84/24/353228424.db2.gz AOJBLRXJZWYOAD-RYUDHWBXSA-N 2 0 282.388 -0.878 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000342700603 353228430 /nfs/dbraw/zinc/22/84/30/353228430.db2.gz XQHZSWFHXZEHTQ-NSHDSACASA-N 2 0 271.361 -0.131 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000342712393 353229127 /nfs/dbraw/zinc/22/91/27/353229127.db2.gz RMGZCUDXKZUYQT-ONGXEEELSA-N 2 0 271.361 -0.134 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000342737524 353230431 /nfs/dbraw/zinc/23/04/31/353230431.db2.gz NBELAMNFBYISQP-RYUDHWBXSA-N 2 0 283.372 -0.038 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000342736215 353230491 /nfs/dbraw/zinc/23/04/91/353230491.db2.gz MUQJAOTXUAIZIS-ZJUUUORDSA-N 2 0 259.350 -0.277 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000342737527 353230717 /nfs/dbraw/zinc/23/07/17/353230717.db2.gz NBELAMNFBYISQP-VXGBXAGGSA-N 2 0 283.372 -0.038 20 0 CBADRP C[C@]1(CNC(=O)CCOC2C[NH2+]C2)CCC[NH2+]C1 ZINC000342752296 353231366 /nfs/dbraw/zinc/23/13/66/353231366.db2.gz HCOGZJLRMZNLBV-ZDUSSCGKSA-N 2 0 255.362 -0.129 20 0 CBADRP CN(C(=O)[C@H]1C[NH+]2CCN1CCC2)[C@@H]1CCC[N@H+](C)C1 ZINC000343557773 353278561 /nfs/dbraw/zinc/27/85/61/353278561.db2.gz ZZVRFRYRCYFXBS-ZIAGYGMSSA-N 2 0 280.416 -0.071 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000343216973 353259984 /nfs/dbraw/zinc/25/99/84/353259984.db2.gz KPMNBUIQJURYCY-KGLIPLIRSA-N 2 0 280.416 -0.166 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343260451 353262144 /nfs/dbraw/zinc/26/21/44/353262144.db2.gz JKQURACCIKHWPC-CQSZACIVSA-N 2 0 280.416 -0.070 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)[NH+](C)C1CC1 ZINC000343287204 353264125 /nfs/dbraw/zinc/26/41/25/353264125.db2.gz NNGXLDLTRLHQPM-LLVKDONJSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)CC[N@@H+]1C ZINC000343298087 353265417 /nfs/dbraw/zinc/26/54/17/353265417.db2.gz NHJPMSDFJBRVFE-VXGBXAGGSA-N 2 0 296.415 -0.204 20 0 CBADRP COCC1(C(=O)N2CC[C@H]([NH3+])[C@H]2C)CC[NH2+]CC1 ZINC000343649569 353283332 /nfs/dbraw/zinc/28/33/32/353283332.db2.gz HSAXSRDELMTILS-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000419419936 295860549 /nfs/dbraw/zinc/86/05/49/295860549.db2.gz JJHUZCKUYZGBAR-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343898870 353297162 /nfs/dbraw/zinc/29/71/62/353297162.db2.gz PNKSPPVNEXCVNI-VHDGCEQUSA-N 2 0 292.427 -0.025 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000346227794 353367209 /nfs/dbraw/zinc/36/72/09/353367209.db2.gz QSMCKZONDSNIDT-NWDGAFQWSA-N 2 0 254.378 -0.557 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2C)CC1=O ZINC000346127919 353363025 /nfs/dbraw/zinc/36/30/25/353363025.db2.gz VTQSDMGEXLLGQD-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000348918108 353441114 /nfs/dbraw/zinc/44/11/14/353441114.db2.gz KGVMNWKBXSWBQY-NWDGAFQWSA-N 2 0 254.378 -0.557 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000348986570 353443361 /nfs/dbraw/zinc/44/33/61/353443361.db2.gz BXXTUQOERXQBBM-NSHDSACASA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)CCOC2C[NH2+]C2)C[C@H](C)O1 ZINC000349026326 353445582 /nfs/dbraw/zinc/44/55/82/353445582.db2.gz JZONVTSZNILPQH-BETUJISGSA-N 2 0 299.415 -0.020 20 0 CBADRP CC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000349905749 353466830 /nfs/dbraw/zinc/46/68/30/353466830.db2.gz MNKSVFDUJDWQLG-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)[C@H]2C1 ZINC000352806323 353506438 /nfs/dbraw/zinc/50/64/38/353506438.db2.gz PZQQYHOXRYNGTF-ILXRZTDVSA-N 2 0 292.427 -0.071 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000352995689 353515734 /nfs/dbraw/zinc/51/57/34/353515734.db2.gz CIVCGXQFHWRIDL-QWHCGFSZSA-N 2 0 285.436 -0.128 20 0 CBADRP CC(C)[C@H](C(=O)N(C)CC(=O)N1CC[NH2+]CC1)[NH+](C)C ZINC000353049989 353518578 /nfs/dbraw/zinc/51/85/78/353518578.db2.gz UAQSXWHUTRDHSP-CYBMUJFWSA-N 2 0 284.404 -0.537 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354664984 353576032 /nfs/dbraw/zinc/57/60/32/353576032.db2.gz DNEPAONXPWJJAQ-YNEHKIRRSA-N 2 0 296.415 -0.122 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000354709742 353579662 /nfs/dbraw/zinc/57/96/62/353579662.db2.gz KDDFOZVJNLYRRZ-JHJVBQTASA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000354709745 353579687 /nfs/dbraw/zinc/57/96/87/353579687.db2.gz KDDFOZVJNLYRRZ-UPJWGTAASA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](C)C[NH2+]1 ZINC000354748057 353582857 /nfs/dbraw/zinc/58/28/57/353582857.db2.gz BAFRZHYHFQYGMG-WOPDTQHZSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000355142128 353587538 /nfs/dbraw/zinc/58/75/38/353587538.db2.gz WCDDUTZCIQSKGL-VXGBXAGGSA-N 2 0 296.415 -0.204 20 0 CBADRP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)N1CCNC(=O)C1 ZINC000357081610 353601500 /nfs/dbraw/zinc/60/15/00/353601500.db2.gz NOGFZLWJXONOEW-CYBMUJFWSA-N 2 0 294.399 -0.734 20 0 CBADRP O=C(C1C[NH2+]C1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262222382 137710667 /nfs/dbraw/zinc/71/06/67/137710667.db2.gz KPZSZKVNBPCHGN-NSHDSACASA-N 2 0 253.346 -0.614 20 0 CBADRP CS(=O)(=O)N[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359222844 353652621 /nfs/dbraw/zinc/65/26/21/353652621.db2.gz QTZOCKQCABBPST-LBPRGKRZSA-N 2 0 275.418 0.000 20 0 CBADRP C[N@H+](CC(=O)NC[C@@]1(O)CC[NH+](C)C1)[C@@H]1CCSC1 ZINC000358060299 353623505 /nfs/dbraw/zinc/62/35/05/353623505.db2.gz FGCXDCONEDWDDA-YPMHNXCESA-N 2 0 287.429 -0.394 20 0 CBADRP C[C@@H](C(=O)NCC[NH+](C)C)[C@H](C)C(=O)NCC[NH+](C)C ZINC000358079792 353625060 /nfs/dbraw/zinc/62/50/60/353625060.db2.gz AJDXFTSVHMTDRV-TXEJJXNPSA-N 2 0 286.420 -0.386 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000358097980 353626368 /nfs/dbraw/zinc/62/63/68/353626368.db2.gz OCVSPERBLQYKOO-ZIAGYGMSSA-N 2 0 280.416 -0.214 20 0 CBADRP COCC[NH+]1CCC(NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000358249495 353633699 /nfs/dbraw/zinc/63/36/99/353633699.db2.gz KFROIRBJNYCUAZ-CQSZACIVSA-N 2 0 271.405 -0.247 20 0 CBADRP CS(=O)(=O)N[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359222843 353652223 /nfs/dbraw/zinc/65/22/23/353652223.db2.gz QTZOCKQCABBPST-GFCCVEGCSA-N 2 0 275.418 0.000 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357924797 353614719 /nfs/dbraw/zinc/61/47/19/353614719.db2.gz ORFSUCNPHFFAGZ-UTUOFQBUSA-N 2 0 273.377 -0.818 20 0 CBADRP COc1ccnc(N2CCN([C@@H]3COC[C@H]3O)CC2)c1 ZINC000361289527 353660675 /nfs/dbraw/zinc/66/06/75/353660675.db2.gz POMIKRDJOBNPEP-CHWSQXEVSA-N 2 0 279.340 -0.028 20 0 CBADRP O=C1CNCCN1[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000362677001 353667384 /nfs/dbraw/zinc/66/73/84/353667384.db2.gz WPOMUVAIULHBJR-KGLIPLIRSA-N 2 0 280.416 -0.118 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000365105693 353672786 /nfs/dbraw/zinc/67/27/86/353672786.db2.gz QKMZOZNJYHMRAW-JTLRNRKASA-N 2 0 253.346 -0.692 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1CCc2nccn2C1 ZINC000373570713 353732982 /nfs/dbraw/zinc/73/29/82/353732982.db2.gz XIMYVYKIVGALCA-SMDDNHRTSA-N 2 0 280.372 -0.126 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000371226301 353697903 /nfs/dbraw/zinc/69/79/03/353697903.db2.gz QJUTWSUDWRUOBX-AWEZNQCLSA-N 2 0 298.431 -0.539 20 0 CBADRP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000373688036 353734524 /nfs/dbraw/zinc/73/45/24/353734524.db2.gz LGVVKCMKWYGILF-AWEZNQCLSA-N 2 0 296.415 -0.785 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C3([NH3+])CC3)CC2)C1 ZINC000372099320 353710469 /nfs/dbraw/zinc/71/04/69/353710469.db2.gz SYOFMWSARARNFY-GFCCVEGCSA-N 2 0 266.389 -0.284 20 0 CBADRP C[C@](C[NH3+])(NC(=O)c1[nH]nc2c1C[NH2+]CC2)C1CC1 ZINC000372571422 353719402 /nfs/dbraw/zinc/71/94/02/353719402.db2.gz MSGHJUCPNFOPMB-CYBMUJFWSA-N 2 0 263.345 -0.087 20 0 CBADRP C[C@H](C(=O)NC(N)=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000372993545 353725053 /nfs/dbraw/zinc/72/50/53/353725053.db2.gz SSCNRQYSLAXRPV-NXEZZACHSA-N 2 0 256.350 -0.014 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CNC(C)(C)C[NH+](C)C ZINC000308637226 260392826 /nfs/dbraw/zinc/39/28/26/260392826.db2.gz PPVQEPAGZMRWCK-LBPRGKRZSA-N 2 0 261.410 -0.145 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000375385237 353759425 /nfs/dbraw/zinc/75/94/25/353759425.db2.gz XFKCCWFKWBZXBT-AHLTXXRQSA-N 2 0 291.399 -0.020 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NCC[C@H]1CCC[NH2+]C1 ZINC000375914641 353768753 /nfs/dbraw/zinc/76/87/53/353768753.db2.gz SBCVDKDXPGCYSP-VXGBXAGGSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(N1CC[C@H](N2CC[NH2+]CC2)C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000375965788 353770537 /nfs/dbraw/zinc/77/05/37/353770537.db2.gz SSDOXHWQDWEUCY-IJEWVQPXSA-N 2 0 292.427 -0.118 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000377560723 353778785 /nfs/dbraw/zinc/77/87/85/353778785.db2.gz FLPNGKNWLFUENT-AXFHLTTASA-N 2 0 269.345 -0.380 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C3C[NH2+]C3)CC2)C1 ZINC000378638237 353781159 /nfs/dbraw/zinc/78/11/59/353781159.db2.gz APNRJCZJASBFBV-CYBMUJFWSA-N 2 0 266.389 -0.556 20 0 CBADRP CNC(=O)NC(=O)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374426127 353745563 /nfs/dbraw/zinc/74/55/63/353745563.db2.gz COCXBZJHSANLCZ-GRYCIOLGSA-N 2 0 298.387 -0.375 20 0 CBADRP CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000400151963 353799944 /nfs/dbraw/zinc/79/99/44/353799944.db2.gz BWMBSXILQDQXSM-DCAQKATOSA-N 2 0 261.391 -0.263 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](CCCF)CC1 ZINC000402492429 353803753 /nfs/dbraw/zinc/80/37/53/353803753.db2.gz AUVKXAVVHGRTIK-CQSZACIVSA-N 2 0 291.411 -0.097 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](CCCF)CC1 ZINC000402492426 353804118 /nfs/dbraw/zinc/80/41/18/353804118.db2.gz AUVKXAVVHGRTIK-AWEZNQCLSA-N 2 0 291.411 -0.097 20 0 CBADRP CSCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394375492 353793982 /nfs/dbraw/zinc/79/39/82/353793982.db2.gz OAWBAWRAKPKJHH-NEPJUHHUSA-N 2 0 286.445 -0.427 20 0 CBADRP C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1CC(C)(C)O ZINC000418394628 353996709 /nfs/dbraw/zinc/99/67/09/353996709.db2.gz XZXYBNIDJCEECI-NEPJUHHUSA-N 2 0 284.404 -0.165 20 0 CBADRP CC[NH+](CC)CCNC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000416805750 353972707 /nfs/dbraw/zinc/97/27/07/353972707.db2.gz YNGQQRRIVVFEIR-UHFFFAOYSA-N 2 0 270.377 -0.288 20 0 CBADRP C[C@H](CN1CCOCC1)NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000417021552 353974652 /nfs/dbraw/zinc/97/46/52/353974652.db2.gz IOKTUJJYZUTEKC-NWDGAFQWSA-N 2 0 270.377 -0.290 20 0 CBADRP CC1CC[NH+](CCNC(=O)N(CC[NH3+])CCO)CC1 ZINC000417020098 353974820 /nfs/dbraw/zinc/97/48/20/353974820.db2.gz RPLOBOFQVNCIDS-UHFFFAOYSA-N 2 0 272.393 -0.319 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000417003398 353974916 /nfs/dbraw/zinc/97/49/16/353974916.db2.gz HJBGNVIUCQTERA-OLZOCXBDSA-N 2 0 285.436 -0.081 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000417446642 353977507 /nfs/dbraw/zinc/97/75/07/353977507.db2.gz MNTAHTGULPGTFZ-QWHCGFSZSA-N 2 0 285.436 -0.081 20 0 CBADRP CN(C(=O)C[NH2+]C[C@H]1CCCO1)[C@@H](C[NH3+])C1CC1 ZINC000417828020 353984079 /nfs/dbraw/zinc/98/40/79/353984079.db2.gz FAXRAHURRYYHTC-NEPJUHHUSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CCC[N@@H+]1C ZINC000418011595 353986510 /nfs/dbraw/zinc/98/65/10/353986510.db2.gz XBRSGUVTBIJWPY-RHYQMDGZSA-N 2 0 270.377 -0.557 20 0 CBADRP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418029089 353986638 /nfs/dbraw/zinc/98/66/38/353986638.db2.gz YUGYTZKXJCAZSU-ITGUQSILSA-N 2 0 284.404 -0.138 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)CCC[N@@H+]1C ZINC000418004226 353986736 /nfs/dbraw/zinc/98/67/36/353986736.db2.gz NXXKFBZJTCJNET-NEPJUHHUSA-N 2 0 282.388 -0.147 20 0 CBADRP C[C@H]1[NH2+]CCN(C(=O)NCCOCC[NH+](C)C)[C@H]1C ZINC000418073981 353987234 /nfs/dbraw/zinc/98/72/34/353987234.db2.gz XDYSOXCJULOVEU-NEPJUHHUSA-N 2 0 272.393 -0.044 20 0 CBADRP CN(C(=O)NCCOCC[NH+](C)C)C1CC([NH3+])C1 ZINC000418067572 353987490 /nfs/dbraw/zinc/98/74/90/353987490.db2.gz MYRGEACYWZGNAC-UHFFFAOYSA-N 2 0 258.366 -0.304 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCOCC[NH+](C)C ZINC000418067261 353987537 /nfs/dbraw/zinc/98/75/37/353987537.db2.gz MLONFPVPYKQCMM-RYUDHWBXSA-N 2 0 272.393 -0.138 20 0 CBADRP C[NH2+]CCCNC(=O)NCCNc1cc[nH+]cc1 ZINC000418279178 353989866 /nfs/dbraw/zinc/98/98/66/353989866.db2.gz OSRRARNKTFFTJR-UHFFFAOYSA-N 2 0 251.334 -0.176 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000418288556 353990982 /nfs/dbraw/zinc/99/09/82/353990982.db2.gz MPIXUUQDQCJTSE-CHWSQXEVSA-N 2 0 283.420 -0.421 20 0 CBADRP CC[NH+](CC)CCN(CCOC)C(=O)NCC[NH3+] ZINC000418292906 353991165 /nfs/dbraw/zinc/99/11/65/353991165.db2.gz DWBOJIHLVYGUGL-UHFFFAOYSA-N 2 0 260.382 -0.055 20 0 CBADRP [NH3+]CCNC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418292895 353991250 /nfs/dbraw/zinc/99/12/50/353991250.db2.gz DVFRXZPMJPHVKI-KBPBESRZSA-N 2 0 292.383 -0.120 20 0 CBADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000418290991 353991309 /nfs/dbraw/zinc/99/13/09/353991309.db2.gz ANNMSIRSZRMZTL-ZDUSSCGKSA-N 2 0 297.447 -0.031 20 0 CBADRP [NH3+]CCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000418315971 353992739 /nfs/dbraw/zinc/99/27/39/353992739.db2.gz WFBUFBZPXKHICH-UHFFFAOYSA-N 2 0 297.403 -0.715 20 0 CBADRP CC[NH2+]CCNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000418319558 353993078 /nfs/dbraw/zinc/99/30/78/353993078.db2.gz BVTJQMSTDYRHPO-VXGBXAGGSA-N 2 0 272.393 -0.308 20 0 CBADRP C[NH2+]CCNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000418326068 353993837 /nfs/dbraw/zinc/99/38/37/353993837.db2.gz KLZHVTGCZQMRTI-LLVKDONJSA-N 2 0 272.393 -0.308 20 0 CBADRP C[C@@H]1CN(C(=O)NCCC[NH3+])CC[N@@H+]1CC(C)(C)O ZINC000418362892 353994593 /nfs/dbraw/zinc/99/45/93/353994593.db2.gz VFBVJQBUZDAJBZ-LLVKDONJSA-N 2 0 272.393 -0.178 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000418362977 353995077 /nfs/dbraw/zinc/99/50/77/353995077.db2.gz BOEKQIJLNJJNCP-STQMWFEESA-N 2 0 286.420 -0.012 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418374363 353995090 /nfs/dbraw/zinc/99/50/90/353995090.db2.gz SJIKLWOLYCENSH-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP COC[C@]1(CNC(=O)NC[C@@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000418380315 353995927 /nfs/dbraw/zinc/99/59/27/353995927.db2.gz WUOZVAPFJGYEMU-WCQYABFASA-N 2 0 270.377 -0.194 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418391746 353996134 /nfs/dbraw/zinc/99/61/34/353996134.db2.gz YVKRXUVKLQSHRV-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000418395414 353996472 /nfs/dbraw/zinc/99/64/72/353996472.db2.gz SOTJZZCQCHSKNF-AVGNSLFASA-N 2 0 286.420 -0.062 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000418395416 353996546 /nfs/dbraw/zinc/99/65/46/353996546.db2.gz SOTJZZCQCHSKNF-XQQFMLRXSA-N 2 0 286.420 -0.062 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000418424877 353996586 /nfs/dbraw/zinc/99/65/86/353996586.db2.gz IIDCLUPXZFXBGQ-WCQYABFASA-N 2 0 274.409 -0.028 20 0 CBADRP [NH3+]CC1(C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)CC1 ZINC000414716338 353962999 /nfs/dbraw/zinc/96/29/99/353962999.db2.gz SIJGNEDWKYVASQ-GFCCVEGCSA-N 2 0 266.389 -0.379 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CCC1 ZINC000419232953 354040466 /nfs/dbraw/zinc/04/04/66/354040466.db2.gz GMDBQFDFYNSNGH-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000419231885 354040568 /nfs/dbraw/zinc/04/05/68/354040568.db2.gz DGTYHMBNKVTFGT-JTQLQIEISA-N 2 0 270.377 -0.702 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418442355 353998117 /nfs/dbraw/zinc/99/81/17/353998117.db2.gz DPKFQJRGOXSREK-KGLIPLIRSA-N 2 0 291.399 -0.111 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418442357 353998256 /nfs/dbraw/zinc/99/82/56/353998256.db2.gz DPKFQJRGOXSREK-ZIAGYGMSSA-N 2 0 291.399 -0.111 20 0 CBADRP CCC[NH2+]CCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000418481541 353998845 /nfs/dbraw/zinc/99/88/45/353998845.db2.gz TYEYQNVBUNKAOX-GFCCVEGCSA-N 2 0 260.382 -0.402 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418491453 353998993 /nfs/dbraw/zinc/99/89/93/353998993.db2.gz OGTLITDSDRBSAZ-YUMQZZPRSA-N 2 0 250.293 -0.122 20 0 CBADRP COCC[NH2+]CCNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000418485151 353999447 /nfs/dbraw/zinc/99/94/47/353999447.db2.gz FBCNYQGYHLNRRU-UHFFFAOYSA-N 2 0 272.393 -0.042 20 0 CBADRP [NH3+][C@H](CNC(=O)NCCNc1cc[nH+]cc1)C1CC1 ZINC000418502982 354000176 /nfs/dbraw/zinc/00/01/76/354000176.db2.gz WEVKDKOERWBPOA-GFCCVEGCSA-N 2 0 263.345 -0.048 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000418507584 354000539 /nfs/dbraw/zinc/00/05/39/354000539.db2.gz LCHKAVLAHWADBE-GHMZBOCLSA-N 2 0 258.366 -0.386 20 0 CBADRP C[C@@]1(CNC(=O)NC[C@@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000418536142 354002498 /nfs/dbraw/zinc/00/24/98/354002498.db2.gz IKIRTFAGSQYWIR-WCQYABFASA-N 2 0 270.377 -0.336 20 0 CBADRP C[NH2+][C@@H](C)CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000418636489 354003855 /nfs/dbraw/zinc/00/38/55/354003855.db2.gz HLTRESZHOGCKRS-STQMWFEESA-N 2 0 286.420 -0.014 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000418614687 354003930 /nfs/dbraw/zinc/00/39/30/354003930.db2.gz GIMGLLWQKOLZOQ-JSGCOSHPSA-N 2 0 284.404 -0.130 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)NCCNc1cc[nH+]cc1 ZINC000418704305 354006209 /nfs/dbraw/zinc/00/62/09/354006209.db2.gz RIFRPFHUSHXTCO-UWVGGRQHSA-N 2 0 251.334 -0.050 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)NC(C)(C)C[NH+](C)C ZINC000418751310 354007068 /nfs/dbraw/zinc/00/70/68/354007068.db2.gz AEEPFBBAVILLQF-NSHDSACASA-N 2 0 271.409 -0.471 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCN2C)C[C@H]1[NH+](C)C ZINC000418770762 354008979 /nfs/dbraw/zinc/00/89/79/354008979.db2.gz VACWFBZYZKGHQJ-FRRDWIJNSA-N 2 0 283.420 -0.519 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418781567 354009056 /nfs/dbraw/zinc/00/90/56/354009056.db2.gz CRPFISFTUZMPBD-HZSPNIEDSA-N 2 0 298.431 -0.012 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000418825973 354010803 /nfs/dbraw/zinc/01/08/03/354010803.db2.gz FNDSAODYXSTBTR-SNVBAGLBSA-N 2 0 298.412 -0.197 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000418826332 354010834 /nfs/dbraw/zinc/01/08/34/354010834.db2.gz CMTVYDWSEVYQFS-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000418838366 354011532 /nfs/dbraw/zinc/01/15/32/354011532.db2.gz VAIXEJDZBMOILL-SNVBAGLBSA-N 2 0 298.412 -0.116 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CCCC1 ZINC000418839363 354011602 /nfs/dbraw/zinc/01/16/02/354011602.db2.gz WQFHZYYIINMAON-LBPRGKRZSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000418836245 354011667 /nfs/dbraw/zinc/01/16/67/354011667.db2.gz QXNZWHWYIKFNBP-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC[NH3+])c1ccco1 ZINC000418938639 354016415 /nfs/dbraw/zinc/01/64/15/354016415.db2.gz HADBABGECBMBOH-NSHDSACASA-N 2 0 296.371 -0.146 20 0 CBADRP CCC[NH+]1CCC(CNC(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000418935326 354016904 /nfs/dbraw/zinc/01/69/04/354016904.db2.gz LXNIAXAGROTPKO-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CC[NH2+]CC1 ZINC000418990912 354020550 /nfs/dbraw/zinc/02/05/50/354020550.db2.gz DBDZWFDYHQTYNF-UHFFFAOYSA-N 2 0 282.388 -0.590 20 0 CBADRP CC1CC[NH+](CCCNC(=O)C(=O)NCCC[NH3+])CC1 ZINC000418997718 354020916 /nfs/dbraw/zinc/02/09/16/354020916.db2.gz LITUVKBSEUFGIU-UHFFFAOYSA-N 2 0 284.404 -0.310 20 0 CBADRP CC1CC[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000418996794 354021016 /nfs/dbraw/zinc/02/10/16/354021016.db2.gz KOULCRRMBVTFDW-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000419021374 354024299 /nfs/dbraw/zinc/02/42/99/354024299.db2.gz GZWPTELUEWBBJI-JHJVBQTASA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419024906 354024517 /nfs/dbraw/zinc/02/45/17/354024517.db2.gz LGUSZYKCAFWJGZ-JHJVBQTASA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCC[NH3+])C1 ZINC000419027965 354025050 /nfs/dbraw/zinc/02/50/50/354025050.db2.gz PLEBCMREQYVFOU-RYUDHWBXSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419029770 354025094 /nfs/dbraw/zinc/02/50/94/354025094.db2.gz SCFZYEXOAMEPKC-GRYCIOLGSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419028416 354025369 /nfs/dbraw/zinc/02/53/69/354025369.db2.gz QHIRWTZKKBZAIB-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000419029783 354025421 /nfs/dbraw/zinc/02/54/21/354025421.db2.gz SCFZYEXOAMEPKC-WOPDTQHZSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000419029777 354025449 /nfs/dbraw/zinc/02/54/49/354025449.db2.gz SCFZYEXOAMEPKC-SRVKXCTJSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000419034440 354026247 /nfs/dbraw/zinc/02/62/47/354026247.db2.gz ZNRKALYWULQLBQ-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419081218 354027144 /nfs/dbraw/zinc/02/71/44/354027144.db2.gz RHTSMVBRUXSKOQ-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000419107815 354028256 /nfs/dbraw/zinc/02/82/56/354028256.db2.gz QAFBHLHKIMBRNC-JTQLQIEISA-N 2 0 268.361 -0.935 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419109426 354028546 /nfs/dbraw/zinc/02/85/46/354028546.db2.gz RHYINENKLYATCI-JQWIXIFHSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC[NH2+]1 ZINC000419109916 354028802 /nfs/dbraw/zinc/02/88/02/354028802.db2.gz RSCBTRIGOPDMJK-SNVBAGLBSA-N 2 0 268.361 -0.983 20 0 CBADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419126021 354029578 /nfs/dbraw/zinc/02/95/78/354029578.db2.gz VEVUYWDXTXZKOZ-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419131019 354029737 /nfs/dbraw/zinc/02/97/37/354029737.db2.gz BUWPPJHWPYTOSO-WDEREUQCSA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419136212 354030317 /nfs/dbraw/zinc/03/03/17/354030317.db2.gz MUXURSGKJSPKEN-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419138117 354030438 /nfs/dbraw/zinc/03/04/38/354030438.db2.gz QGCKCMGAEBAWTP-UTUOFQBUSA-N 2 0 284.404 -0.314 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000419132220 354030533 /nfs/dbraw/zinc/03/05/33/354030533.db2.gz DPEMLKLWWHDRMP-VXGBXAGGSA-N 2 0 296.415 -0.027 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000419132219 354030550 /nfs/dbraw/zinc/03/05/50/354030550.db2.gz DPEMLKLWWHDRMP-RYUDHWBXSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419136214 354030705 /nfs/dbraw/zinc/03/07/05/354030705.db2.gz MUXURSGKJSPKEN-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000419131984 354030716 /nfs/dbraw/zinc/03/07/16/354030716.db2.gz FFVKRNKNOLTKGQ-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419133412 354030849 /nfs/dbraw/zinc/03/08/49/354030849.db2.gz GSBMXLHOUIFQKG-RWMBFGLXSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419135966 354030858 /nfs/dbraw/zinc/03/08/58/354030858.db2.gz MPSRGQYUJBFLIP-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000419144564 354031348 /nfs/dbraw/zinc/03/13/48/354031348.db2.gz FSUWWQDHZXIMNI-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000419150239 354032186 /nfs/dbraw/zinc/03/21/86/354032186.db2.gz MCMAHAVNVQWSEX-UTUOFQBUSA-N 2 0 284.404 -0.348 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419144961 354032335 /nfs/dbraw/zinc/03/23/35/354032335.db2.gz HGMSTOBZHJNQKW-TUAOUCFPSA-N 2 0 282.388 -0.737 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])C1 ZINC000419150218 354032497 /nfs/dbraw/zinc/03/24/97/354032497.db2.gz KYBUXMJTZXKWKP-QWHCGFSZSA-N 2 0 298.431 -0.066 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419278108 354043674 /nfs/dbraw/zinc/04/36/74/354043674.db2.gz AQDCNHCQADFUQO-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419153964 354033154 /nfs/dbraw/zinc/03/31/54/354033154.db2.gz QJNMTEAIHPTIKE-QWRGUYRKSA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419153674 354033230 /nfs/dbraw/zinc/03/32/30/354033230.db2.gz PVFOWDTYKHLQCL-NSHDSACASA-N 2 0 286.420 -0.114 20 0 CBADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NCC[NH3+])CC1 ZINC000419155473 354033808 /nfs/dbraw/zinc/03/38/08/354033808.db2.gz RNQNVAKEMOSCHY-UHFFFAOYSA-N 2 0 298.431 -0.064 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000419156372 354034095 /nfs/dbraw/zinc/03/40/95/354034095.db2.gz JOLMWYFWLXAFBN-VXGBXAGGSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000419156371 354034273 /nfs/dbraw/zinc/03/42/73/354034273.db2.gz JOLMWYFWLXAFBN-RYUDHWBXSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419159500 354034569 /nfs/dbraw/zinc/03/45/69/354034569.db2.gz ZIUJQFPLIACHAX-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CCC[N@@H+]1C ZINC000419554685 354061603 /nfs/dbraw/zinc/06/16/03/354061603.db2.gz ICLKTGHIIQVXRG-QJPTWQEYSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)C[C@H]1[NH3+] ZINC000419562749 354061786 /nfs/dbraw/zinc/06/17/86/354061786.db2.gz VOXPFMWFVHZRDN-DDHJBXDOSA-N 2 0 282.388 -0.609 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[N@H+](C)C1CC1 ZINC000419575163 354062637 /nfs/dbraw/zinc/06/26/37/354062637.db2.gz ACGWSESQDLQRFI-LLVKDONJSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419583979 354063616 /nfs/dbraw/zinc/06/36/16/354063616.db2.gz KUJCEOURJARHRE-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419585202 354063910 /nfs/dbraw/zinc/06/39/10/354063910.db2.gz LSDGKCQJDZYOJD-JHJVBQTASA-N 2 0 296.415 -0.217 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419582172 354063970 /nfs/dbraw/zinc/06/39/70/354063970.db2.gz JERYZAVKMHNHEY-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000419581506 354064267 /nfs/dbraw/zinc/06/42/67/354064267.db2.gz IIDNOYPUBZVXRR-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[N@H+](C)C1CC1 ZINC000419594220 354064849 /nfs/dbraw/zinc/06/48/49/354064849.db2.gz UNRBEROGFKKYCA-MNOVXSKESA-N 2 0 282.388 -0.594 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000419586408 354065565 /nfs/dbraw/zinc/06/55/65/354065565.db2.gz MWIUAUHUNYADOT-PWSUYJOCSA-N 2 0 284.404 -0.315 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000419873629 354087923 /nfs/dbraw/zinc/08/79/23/354087923.db2.gz MWLYZQJQZGDTFX-TXEJJXNPSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419695039 354069953 /nfs/dbraw/zinc/06/99/53/354069953.db2.gz LVNRUMJCVKCJDA-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000419690132 354070369 /nfs/dbraw/zinc/07/03/69/354070369.db2.gz BLTDGJBFEAFCLM-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419692821 354070563 /nfs/dbraw/zinc/07/05/63/354070563.db2.gz HRDGNIYUTXTDGN-NWDGAFQWSA-N 2 0 296.415 -0.170 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000419700615 354071143 /nfs/dbraw/zinc/07/11/43/354071143.db2.gz XUDSSVAZZRNEHG-NWDGAFQWSA-N 2 0 294.399 -0.321 20 0 CBADRP C[C@H](CCNC(=O)C(=O)NCC[NH3+])[NH+]1CCCCC1 ZINC000419716320 354071470 /nfs/dbraw/zinc/07/14/70/354071470.db2.gz QWHRZHOAIMNMPP-LLVKDONJSA-N 2 0 270.377 -0.558 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000419718898 354071919 /nfs/dbraw/zinc/07/19/19/354071919.db2.gz BPDWAJHYMLAUFX-LBPRGKRZSA-N 2 0 286.420 -0.066 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000419718897 354071936 /nfs/dbraw/zinc/07/19/36/354071936.db2.gz BPDWAJHYMLAUFX-GFCCVEGCSA-N 2 0 286.420 -0.066 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419720055 354072077 /nfs/dbraw/zinc/07/20/77/354072077.db2.gz DINPXIJWDDZWJA-BETUJISGSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000419734153 354073800 /nfs/dbraw/zinc/07/38/00/354073800.db2.gz OVBCCOCCPRJREN-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419730069 354073962 /nfs/dbraw/zinc/07/39/62/354073962.db2.gz IZBKRTLPHUCGKD-NSHDSACASA-N 2 0 272.393 -0.584 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000419735435 354073983 /nfs/dbraw/zinc/07/39/83/354073983.db2.gz QMNLGWPZFRJDFO-ZDUSSCGKSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419732452 354074145 /nfs/dbraw/zinc/07/41/45/354074145.db2.gz MQUFARMWVMFZHA-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CC[NH2+]CC1 ZINC000419740746 354074649 /nfs/dbraw/zinc/07/46/49/354074649.db2.gz XZVDDRCKEXDEAC-ZDUSSCGKSA-N 2 0 294.399 -0.449 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419764713 354075467 /nfs/dbraw/zinc/07/54/67/354075467.db2.gz PMAZRAVKGYDCFL-UHFFFAOYSA-N 2 0 270.377 -0.734 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419763507 354075548 /nfs/dbraw/zinc/07/55/48/354075548.db2.gz OCUHFSLUHZRBJE-GFCCVEGCSA-N 2 0 284.404 -0.312 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419763141 354075636 /nfs/dbraw/zinc/07/56/36/354075636.db2.gz NELBBMXMNPCDEY-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419767162 354076697 /nfs/dbraw/zinc/07/66/97/354076697.db2.gz SFKUNXFOISHMFM-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000419775215 354077370 /nfs/dbraw/zinc/07/73/70/354077370.db2.gz KSJPGVHLBXIJCT-SNVBAGLBSA-N 2 0 270.377 -0.702 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[NH3+])c1ccccc1 ZINC000419794566 354078519 /nfs/dbraw/zinc/07/85/19/354078519.db2.gz GVTJRXPOSWEPAC-GFCCVEGCSA-N 2 0 278.356 -0.520 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000419794134 354078564 /nfs/dbraw/zinc/07/85/64/354078564.db2.gz DVGIUWOGOYKMPO-ZDUSSCGKSA-N 2 0 292.383 -0.259 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419787786 354078644 /nfs/dbraw/zinc/07/86/44/354078644.db2.gz XZNWBJABAVWKHY-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)C[NH+]1CCCC1 ZINC000419805567 354079058 /nfs/dbraw/zinc/07/90/58/354079058.db2.gz CCGFXRBRSQKNIV-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419803535 354079161 /nfs/dbraw/zinc/07/91/61/354079161.db2.gz CRCGRGGJMIDMQY-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[NH2+]CC1 ZINC000419805044 354079300 /nfs/dbraw/zinc/07/93/00/354079300.db2.gz BVDCQGMDQXBCQX-VXGBXAGGSA-N 2 0 280.372 -0.839 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NCC[NH3+])CCCCC1 ZINC000419800433 354079466 /nfs/dbraw/zinc/07/94/66/354079466.db2.gz ADODKQXNSZUBPC-UHFFFAOYSA-N 2 0 270.377 -0.558 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000419816423 354080601 /nfs/dbraw/zinc/08/06/01/354080601.db2.gz IBQKIDHIRMWWPI-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP [NH3+]CCCNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000419828357 354081209 /nfs/dbraw/zinc/08/12/09/354081209.db2.gz CPFRTNBOOOLTNL-ZDUSSCGKSA-N 2 0 296.415 -0.072 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000419830423 354081258 /nfs/dbraw/zinc/08/12/58/354081258.db2.gz QGUIEIMWNFQCHU-XQQFMLRXSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)C[NH+]1CCCC1 ZINC000419830622 354081427 /nfs/dbraw/zinc/08/14/27/354081427.db2.gz QRFBYNWYMRVZAS-YPMHNXCESA-N 2 0 296.415 -0.312 20 0 CBADRP [NH3+]CCCNC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000419828356 354081503 /nfs/dbraw/zinc/08/15/03/354081503.db2.gz CPFRTNBOOOLTNL-CYBMUJFWSA-N 2 0 296.415 -0.072 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419835978 354082288 /nfs/dbraw/zinc/08/22/88/354082288.db2.gz BAHCHIPOLCXIGU-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCC[NH3+])C1 ZINC000419836500 354082306 /nfs/dbraw/zinc/08/23/06/354082306.db2.gz XUCYTEMQILRPHD-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C(C)C ZINC000419880203 354088645 /nfs/dbraw/zinc/08/86/45/354088645.db2.gz KLYGJOJOFDBIOZ-LLVKDONJSA-N 2 0 270.377 -0.689 20 0 CBADRP CCN1C[C@H](C)N(C(=O)C(=O)NCCC[NH2+]C)C[C@@H]1C ZINC000419849064 354084584 /nfs/dbraw/zinc/08/45/84/354084584.db2.gz WPVSMGWJUSWCCD-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419860413 354086250 /nfs/dbraw/zinc/08/62/50/354086250.db2.gz KRPYOZMWDMVQRC-VXGBXAGGSA-N 2 0 282.388 -0.560 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419865020 354086599 /nfs/dbraw/zinc/08/65/99/354086599.db2.gz PBMCAAUHSKCSGW-WCQYABFASA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000419883329 354088782 /nfs/dbraw/zinc/08/87/82/354088782.db2.gz MWJJPCOUFHHCEY-FRRDWIJNSA-N 2 0 296.415 -0.299 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000419291212 354044234 /nfs/dbraw/zinc/04/42/34/354044234.db2.gz WPEZEFCBEPOSDZ-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000419287771 354044269 /nfs/dbraw/zinc/04/42/69/354044269.db2.gz QMOUAAWOQUODME-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419291806 354044280 /nfs/dbraw/zinc/04/42/80/354044280.db2.gz XOAJKPKKQNZXPB-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000419287258 354044474 /nfs/dbraw/zinc/04/44/74/354044474.db2.gz PQVRAXUCCYMKRJ-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419290429 354044548 /nfs/dbraw/zinc/04/45/48/354044548.db2.gz VNIAZCGFHKZXDX-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419290895 354044826 /nfs/dbraw/zinc/04/48/26/354044826.db2.gz WGXOLEORPIXQCJ-UHFFFAOYSA-N 2 0 296.415 -0.130 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419292756 354044844 /nfs/dbraw/zinc/04/48/44/354044844.db2.gz ZLGWKOJMEMPSLV-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419333993 354046893 /nfs/dbraw/zinc/04/68/93/354046893.db2.gz MWLNWFQDTVTLSQ-WQAKAFBOSA-N 2 0 294.399 -0.561 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000419337538 354046957 /nfs/dbraw/zinc/04/69/57/354046957.db2.gz QUCJRAXGKRYHHR-WZRBSPASSA-N 2 0 296.415 -0.301 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000419338388 354047565 /nfs/dbraw/zinc/04/75/65/354047565.db2.gz SJKQQXVSBRGNNX-ZYHUDNBSSA-N 2 0 282.388 -0.689 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[NH3+])c1ccc(F)cc1 ZINC000419406340 354051682 /nfs/dbraw/zinc/05/16/82/354051682.db2.gz IPAZWVLQOXBSOK-GFCCVEGCSA-N 2 0 296.346 -0.381 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000419410009 354052808 /nfs/dbraw/zinc/05/28/08/354052808.db2.gz NWTALLJIIPRYNG-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000419417253 354053058 /nfs/dbraw/zinc/05/30/58/354053058.db2.gz XCMZCOUHIIJMLQ-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419417093 354053242 /nfs/dbraw/zinc/05/32/42/354053242.db2.gz HTHHQTKOFFUVCO-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419417167 354053492 /nfs/dbraw/zinc/05/34/92/354053492.db2.gz WYMYWCAGPIMEGW-FRRDWIJNSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000419415256 354053762 /nfs/dbraw/zinc/05/37/62/354053762.db2.gz VDHCPDYSCYPKCP-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000419431252 354054431 /nfs/dbraw/zinc/05/44/31/354054431.db2.gz WYMYWCAGPIMEGW-UPJWGTAASA-N 2 0 298.431 -0.066 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000419479230 354055879 /nfs/dbraw/zinc/05/58/79/354055879.db2.gz KWVOZEIGDSFTKD-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419521551 354057067 /nfs/dbraw/zinc/05/70/67/354057067.db2.gz KDYTWPXTXIAZSM-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419519080 354057246 /nfs/dbraw/zinc/05/72/46/354057246.db2.gz FNTKZMJRCKBJOG-MNOVXSKESA-N 2 0 272.393 -0.314 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419519082 354057427 /nfs/dbraw/zinc/05/74/27/354057427.db2.gz FNTKZMJRCKBJOG-WDEREUQCSA-N 2 0 272.393 -0.314 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419509245 354057599 /nfs/dbraw/zinc/05/75/99/354057599.db2.gz DUZUEKHERFONKV-NEPJUHHUSA-N 2 0 286.420 -0.068 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000419509264 354057629 /nfs/dbraw/zinc/05/76/29/354057629.db2.gz DZRXJKKDVZGJMP-NEPJUHHUSA-N 2 0 286.420 -0.053 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419521224 354057659 /nfs/dbraw/zinc/05/76/59/354057659.db2.gz JOIFGMDZZXTFFX-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000419527549 354058562 /nfs/dbraw/zinc/05/85/62/354058562.db2.gz VJFBUZSWQSIFSJ-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H]1C[NH2+]C)C1CC1 ZINC000419526553 354058755 /nfs/dbraw/zinc/05/87/55/354058755.db2.gz UBXROEAKFXQKNI-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)C(C)(C)C[NH+](C)C ZINC000419539194 354059345 /nfs/dbraw/zinc/05/93/45/354059345.db2.gz FZACSLMGSHQCES-IJLUTSLNSA-N 2 0 298.431 -0.116 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000419537205 354059518 /nfs/dbraw/zinc/05/95/18/354059518.db2.gz CKPLFTKTPDJIRJ-NEPJUHHUSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419530424 354059626 /nfs/dbraw/zinc/05/96/26/354059626.db2.gz ZHUNOYIBVWGHDM-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000419547751 354059980 /nfs/dbraw/zinc/05/99/80/354059980.db2.gz QGHBADKEXZRCFC-RYUDHWBXSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000419874267 354087722 /nfs/dbraw/zinc/08/77/22/354087722.db2.gz NVMGMJNCYMYLLT-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@@H]1CCCN1S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420466108 354129873 /nfs/dbraw/zinc/12/98/73/354129873.db2.gz ZNNBUQBCLKNLNI-LLVKDONJSA-N 2 0 278.422 -0.285 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000419909107 354092576 /nfs/dbraw/zinc/09/25/76/354092576.db2.gz KNAZPZCEXHISIM-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419914999 354093244 /nfs/dbraw/zinc/09/32/44/354093244.db2.gz OUWUIBUCYJXTLK-ZDUSSCGKSA-N 2 0 292.383 -0.177 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](CCC)C1 ZINC000419911989 354093729 /nfs/dbraw/zinc/09/37/29/354093729.db2.gz VGKWFGDLAVFWFK-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000419936941 354094481 /nfs/dbraw/zinc/09/44/81/354094481.db2.gz MGWYUWKNUHQPNL-CHWSQXEVSA-N 2 0 294.399 -0.449 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000419945098 354095316 /nfs/dbraw/zinc/09/53/16/354095316.db2.gz BZSJHJUEVXJNMT-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000419949436 354096619 /nfs/dbraw/zinc/09/66/19/354096619.db2.gz LGFSHFDELOCKSA-STQMWFEESA-N 2 0 298.431 -0.101 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419950195 354096709 /nfs/dbraw/zinc/09/67/09/354096709.db2.gz LXNBPGUCCHXZDC-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000419969919 354098035 /nfs/dbraw/zinc/09/80/35/354098035.db2.gz ATJNSLXVASPUJG-LBPRGKRZSA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000419978167 354099032 /nfs/dbraw/zinc/09/90/32/354099032.db2.gz NUVZWBIOISDFON-SRVKXCTJSA-N 2 0 284.404 -0.633 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000419974543 354099584 /nfs/dbraw/zinc/09/95/84/354099584.db2.gz JPWBYUMABXRXNM-YNEHKIRRSA-N 2 0 298.431 -0.197 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000420011288 354102029 /nfs/dbraw/zinc/10/20/29/354102029.db2.gz YQJTXITZNLIWDO-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000420022364 354102932 /nfs/dbraw/zinc/10/29/32/354102932.db2.gz VQMVCLUOYQIHBM-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000420018798 354103388 /nfs/dbraw/zinc/10/33/88/354103388.db2.gz QIISBIRBNNHBQY-QWRGUYRKSA-N 2 0 270.377 -0.752 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000420028507 354104332 /nfs/dbraw/zinc/10/43/32/354104332.db2.gz HHHAIDAHGFLMAO-OLZOCXBDSA-N 2 0 296.415 -0.219 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420087363 354108505 /nfs/dbraw/zinc/10/85/05/354108505.db2.gz FOSGXGYJHMNTMS-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000420144329 354111841 /nfs/dbraw/zinc/11/18/41/354111841.db2.gz MWHFSDJWOWZNTH-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000420173242 354116067 /nfs/dbraw/zinc/11/60/67/354116067.db2.gz QSXNCUOZAWAPHT-YPMHNXCESA-N 2 0 296.415 -0.204 20 0 CBADRP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321575 354122232 /nfs/dbraw/zinc/12/22/32/354122232.db2.gz CXCCWKFAGZBLCU-OLZOCXBDSA-N 2 0 297.399 -0.013 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420317621 354122345 /nfs/dbraw/zinc/12/23/45/354122345.db2.gz ZQXVVDSGACSNAA-WDEREUQCSA-N 2 0 271.361 -0.323 20 0 CBADRP CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420313561 354123145 /nfs/dbraw/zinc/12/31/45/354123145.db2.gz UMKRLFHTOQTVSV-WDEREUQCSA-N 2 0 263.407 -0.015 20 0 CBADRP C[C@H]1CCN(CCC(=O)N2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000420333988 354124361 /nfs/dbraw/zinc/12/43/61/354124361.db2.gz KOXOQZAQMSYFEX-QWHCGFSZSA-N 2 0 268.405 -0.133 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420398976 354126923 /nfs/dbraw/zinc/12/69/23/354126923.db2.gz HHVQUHWDNLEHDG-NWDGAFQWSA-N 2 0 285.388 -0.075 20 0 CBADRP C[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000420401254 354127197 /nfs/dbraw/zinc/12/71/97/354127197.db2.gz IYZZJEXGNPKTHO-OLZOCXBDSA-N 3 0 268.405 -0.275 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000423231627 354165917 /nfs/dbraw/zinc/16/59/17/354165917.db2.gz HDAZYLJUDIYLCS-NEPJUHHUSA-N 2 0 282.388 -0.641 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000423494406 354177896 /nfs/dbraw/zinc/17/78/96/354177896.db2.gz DDPPPZRZQZGLGA-LBPRGKRZSA-N 2 0 284.404 -0.395 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[C@@H]1[NH+](C)C ZINC000423354809 354171642 /nfs/dbraw/zinc/17/16/42/354171642.db2.gz OALJMNJEBJUYNS-NEPJUHHUSA-N 2 0 296.415 -0.395 20 0 CBADRP CC1(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[NH2+]C1 ZINC000423373773 354172795 /nfs/dbraw/zinc/17/27/95/354172795.db2.gz JMKVURQBAHBPRK-UHFFFAOYSA-N 2 0 294.399 -0.638 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000423430430 354175600 /nfs/dbraw/zinc/17/56/00/354175600.db2.gz MKWVKPCHKSGWPW-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N(C)CC[NH3+] ZINC000423409853 354175940 /nfs/dbraw/zinc/17/59/40/354175940.db2.gz CHNFUMGTMPTLGX-UHFFFAOYSA-N 2 0 286.420 -0.016 20 0 CBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)CC[NH3+] ZINC000423438366 354176321 /nfs/dbraw/zinc/17/63/21/354176321.db2.gz UXPBRURSBSBXQS-UHFFFAOYSA-N 2 0 284.404 -0.262 20 0 CBADRP CC[C@@H](CS(=O)(=O)N(CCC[NH3+])CCC[NH3+])OC ZINC000422554147 354150277 /nfs/dbraw/zinc/15/02/77/354150277.db2.gz WDAQMZCYWBPXEG-NSHDSACASA-N 2 0 281.422 -0.259 20 0 CBADRP CC1CC[NH+](CC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000422743015 354152184 /nfs/dbraw/zinc/15/21/84/354152184.db2.gz HPUJQOMJLQBRBF-UHFFFAOYSA-N 2 0 268.405 -0.260 20 0 CBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000422776429 354154329 /nfs/dbraw/zinc/15/43/29/354154329.db2.gz ANPUQZQOJCUZLK-NWDGAFQWSA-N 2 0 255.362 -0.036 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422967723 354158274 /nfs/dbraw/zinc/15/82/74/354158274.db2.gz CHNRPGCRAIEZDS-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000422976089 354158292 /nfs/dbraw/zinc/15/82/92/354158292.db2.gz UOEAJAOOHOKFST-VXGBXAGGSA-N 2 0 282.388 -0.608 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422967722 354158418 /nfs/dbraw/zinc/15/84/18/354158418.db2.gz CHNRPGCRAIEZDS-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000423056182 354161727 /nfs/dbraw/zinc/16/17/27/354161727.db2.gz FLWXUCDKIVPLAU-NWDGAFQWSA-N 2 0 282.388 -0.511 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)C[C@@H](C)[NH2+]1 ZINC000423058827 354161765 /nfs/dbraw/zinc/16/17/65/354161765.db2.gz DHQSQPOAWULAOF-GHMZBOCLSA-N 2 0 270.377 -0.785 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000423511224 354179012 /nfs/dbraw/zinc/17/90/12/354179012.db2.gz KCIXOXNKFQGHNX-GFCCVEGCSA-N 2 0 273.377 -0.552 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000423586820 354181493 /nfs/dbraw/zinc/18/14/93/354181493.db2.gz BPLRGNHRGUXADJ-CYBMUJFWSA-N 2 0 296.415 -0.120 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000423586708 354181875 /nfs/dbraw/zinc/18/18/75/354181875.db2.gz DXMRRHRFWHQIBI-CHWSQXEVSA-N 2 0 296.415 -0.252 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000423597430 354182274 /nfs/dbraw/zinc/18/22/74/354182274.db2.gz UCDRWUYNPZSSBN-OLZOCXBDSA-N 2 0 296.415 -0.252 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000423592506 354182977 /nfs/dbraw/zinc/18/29/77/354182977.db2.gz KVUKGFCJTCTIDD-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000423608583 354184157 /nfs/dbraw/zinc/18/41/57/354184157.db2.gz NZWJZZADCYINNL-LBPRGKRZSA-N 2 0 282.388 -0.639 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423636985 354187279 /nfs/dbraw/zinc/18/72/79/354187279.db2.gz BTRXOQPRBVTLPB-GFCCVEGCSA-N 2 0 282.388 -0.510 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000423645388 354188535 /nfs/dbraw/zinc/18/85/35/354188535.db2.gz RECLNJMUPIJOOS-WFASDCNBSA-N 2 0 294.399 -0.639 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423646745 354188729 /nfs/dbraw/zinc/18/87/29/354188729.db2.gz MHUIXXSULGSTAD-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)[C@H](C)C[NH2+]1 ZINC000423652227 354189049 /nfs/dbraw/zinc/18/90/49/354189049.db2.gz NDEPQBBYVUVOTP-VXGBXAGGSA-N 2 0 296.415 -0.252 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1COCCN1C1CCCC1 ZINC000423664026 354190042 /nfs/dbraw/zinc/19/00/42/354190042.db2.gz HLFGEWGNFUBRBF-RFQIPJPRSA-N 2 0 279.384 -0.036 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)C1 ZINC000423666455 354190452 /nfs/dbraw/zinc/19/04/52/354190452.db2.gz LXGOAEMCSDPGPP-RNJOBUHISA-N 2 0 296.415 -0.267 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)CC[NH2+]1 ZINC000423689428 354192310 /nfs/dbraw/zinc/19/23/10/354192310.db2.gz YSPGBIOYRALJBS-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC[NH2+]1 ZINC000423731815 354194820 /nfs/dbraw/zinc/19/48/20/354194820.db2.gz YNHMLNVMYLWGMT-VXGBXAGGSA-N 2 0 282.388 -0.641 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C1 ZINC000423729266 354195319 /nfs/dbraw/zinc/19/53/19/354195319.db2.gz UZEBNCUZLCLIOC-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000423739328 354195783 /nfs/dbraw/zinc/19/57/83/354195783.db2.gz HFFLOGZOPWDRHI-NSHDSACASA-N 2 0 259.350 -0.989 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000423745802 354196329 /nfs/dbraw/zinc/19/63/29/354196329.db2.gz OLQHHFKZUWVPJG-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000423750579 354197083 /nfs/dbraw/zinc/19/70/83/354197083.db2.gz UGPHHPGWSVTRAG-CHWSQXEVSA-N 2 0 287.404 -0.081 20 0 CBADRP O=C(C[NH2+]CC1CC1)NC[C@@H]1CN(C2CC2)CCO1 ZINC000423756562 354197362 /nfs/dbraw/zinc/19/73/62/354197362.db2.gz LFMGCVAUVQQACH-CYBMUJFWSA-N 2 0 267.373 -0.035 20 0 CBADRP COCC[C@]1(C(=O)N2CCO[C@H](C[NH+](C)C)C2)CC[NH2+]C1 ZINC000423755647 354197497 /nfs/dbraw/zinc/19/74/97/354197497.db2.gz KCWJXTMSWNSFEU-UKRRQHHQSA-N 2 0 299.415 -0.208 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000423777581 354199472 /nfs/dbraw/zinc/19/94/72/354199472.db2.gz RTYVNNDOZMLRJM-OCCSQVGLSA-N 2 0 298.431 -0.116 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]([NH3+])CC(=O)OC ZINC000423787555 354200368 /nfs/dbraw/zinc/20/03/68/354200368.db2.gz BHDNFQYYNDSYEL-JTQLQIEISA-N 2 0 259.350 -0.323 20 0 CBADRP C[N@@H+]1CC[C@H]2OCCN(C(=O)C[NH2+]CC3CC3)[C@@H]2C1 ZINC000423934975 354205478 /nfs/dbraw/zinc/20/54/78/354205478.db2.gz XPSBTRBVGIQYEF-CHWSQXEVSA-N 2 0 267.373 -0.083 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H](C[NH3+])C(C)(C)C)CC1=O ZINC000423954380 354206362 /nfs/dbraw/zinc/20/63/62/354206362.db2.gz MVKZEYWKJRNSTI-NWDGAFQWSA-N 2 0 298.431 -0.114 20 0 CBADRP CC1CC[NH+](CC(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000423984846 354206412 /nfs/dbraw/zinc/20/64/12/354206412.db2.gz CIBKLCDJEJRHMR-LBPRGKRZSA-N 2 0 255.362 -0.177 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000423986226 354206442 /nfs/dbraw/zinc/20/64/42/354206442.db2.gz FNJCSTNIBUIRCN-JTQLQIEISA-N 2 0 264.329 -0.134 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000423998647 354207183 /nfs/dbraw/zinc/20/71/83/354207183.db2.gz ZXFGNAMOAIKHLA-TUAOUCFPSA-N 2 0 255.362 -0.036 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000423998356 354207342 /nfs/dbraw/zinc/20/73/42/354207342.db2.gz ZKRGZNMZMABUOD-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000423998644 354207347 /nfs/dbraw/zinc/20/73/47/354207347.db2.gz ZXFGNAMOAIKHLA-GRYCIOLGSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424073955 354208016 /nfs/dbraw/zinc/20/80/16/354208016.db2.gz GGSGGWADRVLCCT-VHSXEESVSA-N 2 0 266.349 -0.330 20 0 CBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])c1 ZINC000424063716 354208042 /nfs/dbraw/zinc/20/80/42/354208042.db2.gz YEGMSYMVCQUDCM-MNOVXSKESA-N 2 0 298.368 -0.791 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424054553 354208197 /nfs/dbraw/zinc/20/81/97/354208197.db2.gz AVPATGZEAKMFCW-WDEREUQCSA-N 2 0 278.360 -0.316 20 0 CBADRP [NH3+][C@@H]1Cc2ccccc2N(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000424073778 354208207 /nfs/dbraw/zinc/20/82/07/354208207.db2.gz IKWUUBXGFKXSCN-YPMHNXCESA-N 2 0 261.325 -0.109 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424054550 354208230 /nfs/dbraw/zinc/20/82/30/354208230.db2.gz AVPATGZEAKMFCW-GHMZBOCLSA-N 2 0 278.360 -0.316 20 0 CBADRP O=C(NCC[C@H]1CC[NH2+]C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424078108 354208902 /nfs/dbraw/zinc/20/89/02/354208902.db2.gz PPTXETCLXJQIDP-NEPJUHHUSA-N 2 0 292.387 -0.068 20 0 CBADRP CC(C)([NH3+])CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424079248 354209091 /nfs/dbraw/zinc/20/90/91/354209091.db2.gz QVZSXMBIRJLLFA-SECBINFHSA-N 2 0 266.349 -0.330 20 0 CBADRP CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000424141123 354210543 /nfs/dbraw/zinc/21/05/43/354210543.db2.gz GVHAJDFXMWUEGJ-KXNHARMFSA-N 2 0 255.362 -0.363 20 0 CBADRP COCC[NH2+]CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424156996 354211725 /nfs/dbraw/zinc/21/17/25/354211725.db2.gz QDYJRFKGJMGEBU-LLVKDONJSA-N 2 0 296.375 -0.832 20 0 CBADRP [NH3+]C1(CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CCC1 ZINC000424157447 354212094 /nfs/dbraw/zinc/21/20/94/354212094.db2.gz RCHFKAQNNKDLBC-JTQLQIEISA-N 2 0 278.360 -0.186 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424143335 354212534 /nfs/dbraw/zinc/21/25/34/354212534.db2.gz FYPRWKABFVUNHA-NEPJUHHUSA-N 2 0 282.388 -0.654 20 0 CBADRP O=C(NC[C@H]1CCNCC1(F)F)[C@@H]1COCCN1 ZINC000424166211 354212841 /nfs/dbraw/zinc/21/28/41/354212841.db2.gz GOAJVVHYBRGGDH-BDAKNGLRSA-N 2 0 263.288 -0.664 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424165550 354213437 /nfs/dbraw/zinc/21/34/37/354213437.db2.gz YRNFUTJWUPBQFV-UTUOFQBUSA-N 2 0 292.387 -0.070 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423531673 354178437 /nfs/dbraw/zinc/17/84/37/354178437.db2.gz YKOMTKQMCDTPLQ-UHFFFAOYSA-N 2 0 284.404 -0.393 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000431027123 354251865 /nfs/dbraw/zinc/25/18/65/354251865.db2.gz HHDMAVJRYZQCDX-RYUDHWBXSA-N 2 0 256.394 -0.406 20 0 CBADRP C[NH2+]CCCN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000435871947 354255397 /nfs/dbraw/zinc/25/53/97/354255397.db2.gz MLABILJNBUSXSU-UHFFFAOYSA-N 2 0 268.405 -0.164 20 0 CBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000442804365 354259182 /nfs/dbraw/zinc/25/91/82/354259182.db2.gz ZCELLOYTPSILOG-UTUOFQBUSA-N 2 0 284.404 -0.184 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444262612 354266698 /nfs/dbraw/zinc/26/66/98/354266698.db2.gz BLDNGFXYIJWWJS-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444174534 354263449 /nfs/dbraw/zinc/26/34/49/354263449.db2.gz HDDRIJNSMANZCX-TYNCELHUSA-N 2 0 294.399 -0.558 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCCC[NH2+]3)C[C@H]2[NH3+])cn1 ZINC000424233752 354219895 /nfs/dbraw/zinc/21/98/95/354219895.db2.gz JGFJXNUBYOQBTM-YNEHKIRRSA-N 2 0 277.372 -0.185 20 0 CBADRP CC[NH2+]CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424471460 354225465 /nfs/dbraw/zinc/22/54/65/354225465.db2.gz CZDXBGIMIPDDOH-NWDGAFQWSA-N 2 0 280.376 -0.534 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000446376778 354287400 /nfs/dbraw/zinc/28/74/00/354287400.db2.gz MFSXWZQPJBYWTQ-NWDGAFQWSA-N 2 0 272.368 -0.560 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C[C@H](C[NH3+])OC)CC1 ZINC000447437102 354298513 /nfs/dbraw/zinc/29/85/13/354298513.db2.gz CCPPSVZQXWURNM-QWHCGFSZSA-N 2 0 286.420 -0.508 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C[NH3+])OC)C1 ZINC000447435653 354298698 /nfs/dbraw/zinc/29/86/98/354298698.db2.gz QCJHSCTUCUNCJH-MNOVXSKESA-N 2 0 259.350 -0.813 20 0 CBADRP CCN1CCO[C@@H](C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000444270667 354267287 /nfs/dbraw/zinc/26/72/87/354267287.db2.gz SCXDFFCEBVAWBF-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH+]1CCN(c2cc(CNC(=O)[C@H]3CC[NH2+]3)ccn2)CC1 ZINC000444267639 354267414 /nfs/dbraw/zinc/26/74/14/354267414.db2.gz LHXIAZNNZNMWII-CYBMUJFWSA-N 2 0 289.383 -0.189 20 0 CBADRP CCN1CCO[C@H](C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000444270666 354267695 /nfs/dbraw/zinc/26/76/95/354267695.db2.gz SCXDFFCEBVAWBF-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)N1CC[NH+](C)CC1 ZINC000444270374 354267741 /nfs/dbraw/zinc/26/77/41/354267741.db2.gz OZUMXCAYWCAFFB-VNHYZAJKSA-N 2 0 280.416 -0.262 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444272114 354267769 /nfs/dbraw/zinc/26/77/69/354267769.db2.gz VYHLJDZJBXMVGC-IPYPFGDCSA-N 2 0 280.416 -0.262 20 0 CBADRP CCC[NH2+][C@@H](C)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000449059054 354317281 /nfs/dbraw/zinc/31/72/81/354317281.db2.gz OKBPWQJFKASKDR-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449526067 354320228 /nfs/dbraw/zinc/32/02/28/354320228.db2.gz YHTMDCLLFYHVNM-BJJXKVORSA-N 2 0 289.379 -0.386 20 0 CBADRP C[C@@H](CNC(=O)NCCOCC[NH+](C)C)[NH+](C)C ZINC000458701692 354379497 /nfs/dbraw/zinc/37/94/97/354379497.db2.gz UWYPEQDYYXYIEG-NSHDSACASA-N 2 0 260.382 -0.186 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NC(C)(C)C[NH+](C)C)CC1=O ZINC000457202398 354370243 /nfs/dbraw/zinc/37/02/43/354370243.db2.gz HJPDKTMEVJHNGO-GFCCVEGCSA-N 2 0 298.431 -0.147 20 0 CBADRP C[NH+](C)CCOCCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000471633559 354400571 /nfs/dbraw/zinc/40/05/71/354400571.db2.gz BROAIZSJPVQMAI-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP C[NH+](C)CCOCCNC(=O)NC1CC[NH+](C)CC1 ZINC000471633339 354400607 /nfs/dbraw/zinc/40/06/07/354400607.db2.gz FOHFPEDXVLJRIS-UHFFFAOYSA-N 2 0 272.393 -0.042 20 0 CBADRP C[NH+](C)CCOCCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000471643690 354401467 /nfs/dbraw/zinc/40/14/67/354401467.db2.gz KFAFXLJKIKYDOT-ZDUSSCGKSA-N 2 0 290.408 -0.824 20 0 CBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000479259494 354407616 /nfs/dbraw/zinc/40/76/16/354407616.db2.gz LQMLJBYLLQSROM-JHJVBQTASA-N 2 0 267.373 -0.347 20 0 CBADRP C[C@@H]1[C@H](CO)CC[NH+]1C[C@@H](O)C[N@H+]1CC[C@H](CO)[C@@H]1C ZINC000488743435 354426918 /nfs/dbraw/zinc/42/69/18/354426918.db2.gz IGNLASADOKKTGM-AZOBVAEKSA-N 2 0 286.416 -0.247 20 0 CBADRP C[NH+](C)C/C=C/C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000491884734 354460967 /nfs/dbraw/zinc/46/09/67/354460967.db2.gz NCYIPMZWILDTCC-AATRIKPKSA-N 2 0 268.405 -0.190 20 0 CBADRP C[C@H]1COCCN1CCNC(=O)/C=C/C[NH+](C)C ZINC000491869301 354461265 /nfs/dbraw/zinc/46/12/65/354461265.db2.gz NABRCUAAXLRPJD-ITKZLYELSA-N 2 0 255.362 -0.059 20 0 CBADRP CN(C[C@H](O)CN1CCOCC1)C(=O)/C=C\C[NH+](C)C ZINC000492101898 354466384 /nfs/dbraw/zinc/46/63/84/354466384.db2.gz DWNFORBNGZZKAM-ZFDPJTLLSA-N 2 0 285.388 -0.744 20 0 CBADRP C[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])C[NH+]1CCN(C)CC1 ZINC000493945103 354494759 /nfs/dbraw/zinc/49/47/59/354494759.db2.gz NQIKPRPWUPNDNR-AGIUHOORSA-N 2 0 270.421 -0.031 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000514616221 354554808 /nfs/dbraw/zinc/55/48/08/354554808.db2.gz MTLVFVOKNUCJID-NAKRPEOUSA-N 2 0 268.361 -0.870 20 0 CBADRP C[NH+](C)C[C@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000519546214 354562277 /nfs/dbraw/zinc/56/22/77/354562277.db2.gz UFANQHZNHRGOOE-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000519609348 354564768 /nfs/dbraw/zinc/56/47/68/354564768.db2.gz NYHYNPULNIASLS-NXEZZACHSA-N 2 0 259.350 -0.244 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529310101 354583476 /nfs/dbraw/zinc/58/34/76/354583476.db2.gz PAZMLBKAUZBNCQ-GHMZBOCLSA-N 2 0 256.350 -0.632 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529308978 354583829 /nfs/dbraw/zinc/58/38/29/354583829.db2.gz XIIWPVRNHUKBCT-CHWSQXEVSA-N 2 0 295.431 -0.184 20 0 CBADRP [NH3+]C[C@H]1CCCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529390415 354585651 /nfs/dbraw/zinc/58/56/51/354585651.db2.gz TYHFNEDWRBMBJA-GHMZBOCLSA-N 2 0 256.350 -0.645 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C1CC1 ZINC000534266058 354596190 /nfs/dbraw/zinc/59/61/90/354596190.db2.gz GGRNFZVKNHOWTA-KBPBESRZSA-N 2 0 280.416 -0.167 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000547296321 354657032 /nfs/dbraw/zinc/65/70/32/354657032.db2.gz XIDABEJPAWDJOR-IPYPFGDCSA-N 2 0 296.415 -0.021 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000547296322 354657429 /nfs/dbraw/zinc/65/74/29/354657429.db2.gz XIDABEJPAWDJOR-NFAWXSAZSA-N 2 0 296.415 -0.021 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000573967353 334981344 /nfs/dbraw/zinc/98/13/44/334981344.db2.gz VDTVUJWWCFWGGM-JQWIXIFHSA-N 2 0 270.377 -0.704 20 0 CBADRP C[N@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000537599268 354610911 /nfs/dbraw/zinc/61/09/11/354610911.db2.gz LRURAAHKWWWLND-LBPRGKRZSA-N 2 0 269.389 -0.147 20 0 CBADRP O=C(CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CC[NH2+]CC1 ZINC000562805133 354688311 /nfs/dbraw/zinc/68/83/11/354688311.db2.gz YVMHRJHLJMIRMS-UPJWGTAASA-N 2 0 294.399 -0.545 20 0 CBADRP C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC[NH2+]1 ZINC000562819811 354689023 /nfs/dbraw/zinc/68/90/23/354689023.db2.gz PFDJJYYTIURDHW-RKDXNWHRSA-N 2 0 262.304 -0.013 20 0 CBADRP CC1(CNC(=O)c2cn(CCC[NH3+])nn2)CC[NH2+]CC1 ZINC000562976076 354690609 /nfs/dbraw/zinc/69/06/09/354690609.db2.gz QLGXQJULBFQEFZ-UHFFFAOYSA-N 2 0 280.376 -0.254 20 0 CBADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000562977893 354690810 /nfs/dbraw/zinc/69/08/10/354690810.db2.gz QWXNRYCOBOCGFF-LLVKDONJSA-N 2 0 280.376 -0.255 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)C[NH+]1CCN(C)CC1 ZINC000563077521 354694601 /nfs/dbraw/zinc/69/46/01/354694601.db2.gz IFCOPMKZNINIDW-RDBSUJKOSA-N 2 0 282.432 -0.016 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000563102344 354696663 /nfs/dbraw/zinc/69/66/63/354696663.db2.gz UWHZUFYYCWPWJF-GHMZBOCLSA-N 2 0 280.376 -0.257 20 0 CBADRP [NH3+]CC(=O)NCC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000563113452 354697184 /nfs/dbraw/zinc/69/71/84/354697184.db2.gz RGKKRXWXYHKZIA-UHFFFAOYSA-N 2 0 294.399 -0.669 20 0 CBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)[NH2+]C)C2)CC1 ZINC000565212566 354732162 /nfs/dbraw/zinc/73/21/62/354732162.db2.gz ILASMBBDPRNWOE-OLZOCXBDSA-N 2 0 268.405 -0.167 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCCC[C@H]2O)CC1 ZINC000563142864 354698986 /nfs/dbraw/zinc/69/89/86/354698986.db2.gz QEQIITURSJJDOS-RRFJBIMHSA-N 2 0 285.432 -0.265 20 0 CBADRP C[C@@]1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CCC[NH2+]C1 ZINC000563162878 354700631 /nfs/dbraw/zinc/70/06/31/354700631.db2.gz OZEJOFNNZBNCRE-WCQYABFASA-N 2 0 255.362 -0.129 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)c1csc(CC[NH3+])n1 ZINC000563162883 354701113 /nfs/dbraw/zinc/70/11/13/354701113.db2.gz PGNNRBWUWWEKHO-SECBINFHSA-N 2 0 283.401 -0.722 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000563198272 354702035 /nfs/dbraw/zinc/70/20/35/354702035.db2.gz NEOXQXSRUSPDGZ-VXGBXAGGSA-N 2 0 282.388 -0.687 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)nn1 ZINC000563806740 354705172 /nfs/dbraw/zinc/70/51/72/354705172.db2.gz CJLNHUHQNSHBOY-LLVKDONJSA-N 2 0 292.387 -0.017 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000563956369 354707753 /nfs/dbraw/zinc/70/77/53/354707753.db2.gz NXDRDWNCZSMAPE-UONOGXRCSA-N 2 0 296.415 -0.739 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)C1CCC1 ZINC000563956483 354708041 /nfs/dbraw/zinc/70/80/41/354708041.db2.gz SSOMDUOGJMYAFX-CHWSQXEVSA-N 2 0 266.389 -0.380 20 0 CBADRP CN(CCC(=O)N1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000564085248 354709787 /nfs/dbraw/zinc/70/97/87/354709787.db2.gz IULKLUKWXWTXLS-GFCCVEGCSA-N 2 0 254.378 -0.556 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000564567491 354714026 /nfs/dbraw/zinc/71/40/26/354714026.db2.gz NZYBDCSWTLIDER-MRVPVSSYSA-N 2 0 279.348 -0.707 20 0 CBADRP [NH3+][C@@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)C1CC1 ZINC000564949728 354722237 /nfs/dbraw/zinc/72/22/37/354722237.db2.gz GJABJNPLTLBKMH-UWVGGRQHSA-N 2 0 263.345 -0.046 20 0 CBADRP [NH3+][C@@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)C1CC1 ZINC000564949730 354722259 /nfs/dbraw/zinc/72/22/59/354722259.db2.gz GJABJNPLTLBKMH-ZJUUUORDSA-N 2 0 263.345 -0.046 20 0 CBADRP CCC[C@@H](CCO)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000564976572 354724016 /nfs/dbraw/zinc/72/40/16/354724016.db2.gz VGRLCSBVOMYAAU-GJZGRUSLSA-N 2 0 287.448 -0.017 20 0 CBADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)N1CC[NH2+]CC1 ZINC000564988092 354724452 /nfs/dbraw/zinc/72/44/52/354724452.db2.gz FSEFRKLWZRPNNA-LBPRGKRZSA-N 3 0 254.378 -0.650 20 0 CBADRP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000564989359 354724518 /nfs/dbraw/zinc/72/45/18/354724518.db2.gz MUISKBCAAAGCNT-VXGBXAGGSA-N 3 0 254.378 -0.523 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000564989221 354724604 /nfs/dbraw/zinc/72/46/04/354724604.db2.gz BYUNEPVPAYDTAU-CHWSQXEVSA-N 3 0 268.405 -0.133 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC1([NH3+])CCC1 ZINC000564993066 354724967 /nfs/dbraw/zinc/72/49/67/354724967.db2.gz MVDLWJDHSUQSIQ-JTQLQIEISA-N 2 0 256.350 -0.917 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000564989873 354724993 /nfs/dbraw/zinc/72/49/93/354724993.db2.gz WABYEXPAIRKBOP-MNOVXSKESA-N 2 0 271.361 -0.323 20 0 CBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564994547 354725874 /nfs/dbraw/zinc/72/58/74/354725874.db2.gz CKTFZNBGTGSSQP-QWRGUYRKSA-N 2 0 282.388 -0.499 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CCN2C1=O ZINC000565240436 354734273 /nfs/dbraw/zinc/73/42/73/354734273.db2.gz WSNCHCDRXWKFML-GRYCIOLGSA-N 3 0 252.362 -0.770 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CCN2C1=O ZINC000565785937 354745880 /nfs/dbraw/zinc/74/58/80/354745880.db2.gz HMEQTWNUSPZVCM-CHWSQXEVSA-N 2 0 299.334 -0.282 20 0 CBADRP O=C(NC1C[NH2+]C1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000565823155 354746913 /nfs/dbraw/zinc/74/69/13/354746913.db2.gz LDOOAHIBKUENAS-GFCCVEGCSA-N 2 0 280.372 -0.839 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000565892329 354747855 /nfs/dbraw/zinc/74/78/55/354747855.db2.gz CKVJLMYYNUAYEP-PWSUYJOCSA-N 2 0 270.377 -0.718 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)C)[C@@H](C)C[NH2+]1 ZINC000566091790 354751413 /nfs/dbraw/zinc/75/14/13/354751413.db2.gz CVKGKZJIOIDUQS-RYUDHWBXSA-N 2 0 284.404 -0.395 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2COCC2(C)C)CC1 ZINC000566064054 354751531 /nfs/dbraw/zinc/75/15/31/354751531.db2.gz XPEUUQZPRSJJRC-CHWSQXEVSA-N 2 0 271.405 -0.391 20 0 CBADRP COc1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)nc1 ZINC000566123589 354753488 /nfs/dbraw/zinc/75/34/88/354753488.db2.gz CIUHSDWDRPGQPT-CQSZACIVSA-N 2 0 294.399 -0.212 20 0 CBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000566180097 354755083 /nfs/dbraw/zinc/75/50/83/354755083.db2.gz SAWLGMMKJXSQJQ-UONOGXRCSA-N 2 0 299.415 -0.426 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CC(=O)OC)C1 ZINC000566194104 354756213 /nfs/dbraw/zinc/75/62/13/354756213.db2.gz ZCBWLJIZMISIAR-UWVGGRQHSA-N 2 0 257.334 -0.665 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000566210940 354757363 /nfs/dbraw/zinc/75/73/63/354757363.db2.gz AFMPQJWTXQPFMJ-HIFRSBDPSA-N 2 0 297.399 -0.280 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CC[NH3+] ZINC000566206269 354757539 /nfs/dbraw/zinc/75/75/39/354757539.db2.gz TZBLSSWQPFYQKF-JTQLQIEISA-N 2 0 256.350 -0.819 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000566206720 354757630 /nfs/dbraw/zinc/75/76/30/354757630.db2.gz JTZVIYAKJQNNAN-MMWGEVLESA-N 2 0 269.345 -0.537 20 0 CBADRP CC[NH2+]CC1CC[NH+](CC(=O)NCCC(=O)OC)CC1 ZINC000566246236 354759664 /nfs/dbraw/zinc/75/96/64/354759664.db2.gz UDUWTMHJIYSODD-UHFFFAOYSA-N 2 0 285.388 -0.013 20 0 CBADRP [NH3+]CC[C@@H]1CCCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000566251206 354760101 /nfs/dbraw/zinc/76/01/01/354760101.db2.gz KSSWYQPGBCAQSF-RYUDHWBXSA-N 2 0 282.388 -0.416 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000566286677 354761880 /nfs/dbraw/zinc/76/18/80/354761880.db2.gz QUSLDYJRPYLVNA-UTUOFQBUSA-N 2 0 282.388 -0.573 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC(CC[NH3+])CC1 ZINC000566406098 354765391 /nfs/dbraw/zinc/76/53/91/354765391.db2.gz HSANGMSQEAROFG-ZDUSSCGKSA-N 2 0 284.404 -0.327 20 0 CBADRP C[C@@H](C[NH2+]C[C@H](C)S(C)(=O)=O)CN1CC[NH+](C)CC1 ZINC000566557173 354771006 /nfs/dbraw/zinc/77/10/06/354771006.db2.gz PZVWOZAROZMIHL-STQMWFEESA-N 2 0 291.461 -0.107 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000567604783 354791834 /nfs/dbraw/zinc/79/18/34/354791834.db2.gz BRQIDQDQXGNRAM-CABZTGNLSA-N 2 0 264.329 -0.190 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000566689753 354773749 /nfs/dbraw/zinc/77/37/49/354773749.db2.gz SAWMJRCKEZVBMD-LBPRGKRZSA-N 2 0 282.388 -0.735 20 0 CBADRP [NH3+]CC1(CC(=O)NCC(=O)N2CC[NH2+]CC2)CCCCC1 ZINC000566904452 354777180 /nfs/dbraw/zinc/77/71/80/354777180.db2.gz WUWKOEDGBTZZDC-UHFFFAOYSA-N 2 0 296.415 -0.166 20 0 CBADRP CN1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)[C@H](C[NH3+])C1 ZINC000567031378 354779857 /nfs/dbraw/zinc/77/98/57/354779857.db2.gz KDJSPWLUTZKZMY-CHWSQXEVSA-N 2 0 283.420 -0.212 20 0 CBADRP C[C@@]1(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC[NH2+]C1 ZINC000567110363 354781563 /nfs/dbraw/zinc/78/15/63/354781563.db2.gz AROPHKQOHBZBJK-TZMCWYRMSA-N 3 0 268.405 -0.227 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000567108945 354781648 /nfs/dbraw/zinc/78/16/48/354781648.db2.gz IGYVTSXFXHGQRD-QWRGUYRKSA-N 2 0 265.313 -0.307 20 0 CBADRP C[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000567250247 354784226 /nfs/dbraw/zinc/78/42/26/354784226.db2.gz FIBXEOBCVMJICJ-LBPRGKRZSA-N 2 0 282.388 -0.687 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000567267593 354784668 /nfs/dbraw/zinc/78/46/68/354784668.db2.gz FPZFXWUQAHHBHM-RYUDHWBXSA-N 2 0 282.388 -0.573 20 0 CBADRP C[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)[C@H]1CCC[NH2+]C1 ZINC000567267810 354784855 /nfs/dbraw/zinc/78/48/55/354784855.db2.gz QCRGFHOKFILCFQ-SDDRHHMPSA-N 2 0 255.362 -0.131 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000567504150 354789269 /nfs/dbraw/zinc/78/92/69/354789269.db2.gz CWEKQRBXXVNBPU-LLVKDONJSA-N 2 0 280.376 -0.302 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1)C1CCC1 ZINC000567502739 354789628 /nfs/dbraw/zinc/78/96/28/354789628.db2.gz CQSKVYIQKWSDIK-SRVKXCTJSA-N 2 0 253.346 -0.297 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)[C@@H]2C1 ZINC000565255774 354734752 /nfs/dbraw/zinc/73/47/52/354734752.db2.gz UPHVZUMVDOKGGB-GRYCIOLGSA-N 2 0 280.372 -0.983 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1)C1CCC1 ZINC000567502742 354789893 /nfs/dbraw/zinc/78/98/93/354789893.db2.gz CQSKVYIQKWSDIK-WOPDTQHZSA-N 2 0 253.346 -0.297 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000565420027 354738047 /nfs/dbraw/zinc/73/80/47/354738047.db2.gz SOMUBHICEHKTSV-UWVGGRQHSA-N 2 0 257.334 -0.617 20 0 CBADRP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000565599312 354742307 /nfs/dbraw/zinc/74/23/07/354742307.db2.gz YSTHXGJUQKBDCN-CYBMUJFWSA-N 3 0 268.405 -0.260 20 0 CBADRP C[C@@H]1COCCN1CCNC(=O)COC1CC[NH2+]CC1 ZINC000565653927 354742875 /nfs/dbraw/zinc/74/28/75/354742875.db2.gz GKZSDOZKPZZYCZ-GFCCVEGCSA-N 2 0 285.388 -0.408 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567587622 354790419 /nfs/dbraw/zinc/79/04/19/354790419.db2.gz XQVWYGIBEUVCSQ-GHMZBOCLSA-N 2 0 255.362 -0.062 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000567822641 354798908 /nfs/dbraw/zinc/79/89/08/354798908.db2.gz HFNSUEPQVIXBCH-ZDUSSCGKSA-N 2 0 294.399 -0.449 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000567834684 354799810 /nfs/dbraw/zinc/79/98/10/354799810.db2.gz XIIISVDXQWBPSC-NEPJUHHUSA-N 2 0 284.404 -0.327 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000567834823 354800073 /nfs/dbraw/zinc/80/00/73/354800073.db2.gz HMQMAXUUUOQLKV-GFCCVEGCSA-N 2 0 293.371 -0.207 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000567846475 354800811 /nfs/dbraw/zinc/80/08/11/354800811.db2.gz CVSIBTSOVNZDHU-HIFPTAJRSA-N 2 0 268.405 -0.086 20 0 CBADRP CN(Cc1cn(C)c(=O)n(C)c1=O)C1(C[NH3+])CCC1 ZINC000567871174 354801811 /nfs/dbraw/zinc/80/18/11/354801811.db2.gz WEKVTHXPMKDECO-UHFFFAOYSA-N 2 0 266.345 -0.603 20 0 CBADRP CC[C@H](C[C@@H](C)CO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000567873083 354801926 /nfs/dbraw/zinc/80/19/26/354801926.db2.gz MTIPWDGVAHOOHZ-KFWWJZLASA-N 2 0 287.448 -0.019 20 0 CBADRP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)Cn1cccn1 ZINC000567875761 354802761 /nfs/dbraw/zinc/80/27/61/354802761.db2.gz KUUKSGXUUTYTNF-QWHCGFSZSA-N 2 0 268.361 -0.710 20 0 CBADRP C[N@H+](C[C@H](O)CN[C@@H](CO)C[NH+]1CCCC1)C1CC1 ZINC000567874438 354802772 /nfs/dbraw/zinc/80/27/72/354802772.db2.gz NQLGCIYXCDVRNL-TZMCWYRMSA-N 2 0 271.405 -0.512 20 0 CBADRP [NH3+]CC[C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000567888433 354803426 /nfs/dbraw/zinc/80/34/26/354803426.db2.gz FOCOAWUZNPMTRW-CYBMUJFWSA-N 3 0 268.405 -0.131 20 0 CBADRP C/C=C/C[C@H](CO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000568089330 354810171 /nfs/dbraw/zinc/81/01/71/354810171.db2.gz RLLWZPRRNLNQGI-LSMGEYOZSA-N 2 0 271.405 -0.489 20 0 CBADRP C/C=C\C[C@H](CO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000568089328 354810303 /nfs/dbraw/zinc/81/03/03/354810303.db2.gz RLLWZPRRNLNQGI-JHZNUDOXSA-N 2 0 271.405 -0.489 20 0 CBADRP CC[C@@H](CO)[NH+]1CCN(C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000568165674 354812194 /nfs/dbraw/zinc/81/21/94/354812194.db2.gz UHUNZDKEUAUYRM-KBPBESRZSA-N 2 0 273.421 -0.313 20 0 CBADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CO)C1CCOCC1 ZINC000568166733 354812333 /nfs/dbraw/zinc/81/23/33/354812333.db2.gz RPOZAGVCACTOOQ-OLZOCXBDSA-N 2 0 260.378 -0.324 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000568230388 354816278 /nfs/dbraw/zinc/81/62/78/354816278.db2.gz YJWRBGJOHBMYQE-RYUDHWBXSA-N 2 0 254.378 -0.604 20 0 CBADRP C[NH2+][C@@H](C)C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000568233459 354817000 /nfs/dbraw/zinc/81/70/00/354817000.db2.gz PIDGTSVNQDJVLN-LBPRGKRZSA-N 2 0 270.421 -0.016 20 0 CBADRP C[NH2+]C[C@H]1CC[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000568270105 354819546 /nfs/dbraw/zinc/81/95/46/354819546.db2.gz PFQHLVFBZGLVKW-CYBMUJFWSA-N 2 0 268.405 -0.308 20 0 CBADRP CN(CCC[NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000568287762 354820524 /nfs/dbraw/zinc/82/05/24/354820524.db2.gz JMKVQVDZPYWWPP-MRVPVSSYSA-N 2 0 250.293 -0.026 20 0 CBADRP CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)cn1 ZINC000568292892 354820574 /nfs/dbraw/zinc/82/05/74/354820574.db2.gz YSXSHNLRYUCXBT-NSHDSACASA-N 2 0 291.355 -0.758 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CCO1 ZINC000568270900 354820700 /nfs/dbraw/zinc/82/07/00/354820700.db2.gz FSWBBZVPAPIPTF-UONOGXRCSA-N 2 0 275.352 -0.113 20 0 CBADRP COC[C@]1(CNC(=O)C[C@H]2CSCC[NH2+]2)CCC[NH2+]1 ZINC000568381338 354822818 /nfs/dbraw/zinc/82/28/18/354822818.db2.gz HNAFQRLNVFUECJ-WCQYABFASA-N 2 0 287.429 -0.034 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000568609807 354827385 /nfs/dbraw/zinc/82/73/85/354827385.db2.gz QKRBVQKKOMXKOQ-UKRRQHHQSA-N 2 0 288.395 -0.107 20 0 CBADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000568609401 354827408 /nfs/dbraw/zinc/82/74/08/354827408.db2.gz YPIAKEBOFPRJPJ-CHWSQXEVSA-N 2 0 283.420 -0.374 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@H](N)CC(=O)OC)CC1 ZINC000568760082 354832033 /nfs/dbraw/zinc/83/20/33/354832033.db2.gz JQRPAJNGWDHXAC-NSHDSACASA-N 2 0 287.360 -0.943 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](O)CN1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000567711016 354794396 /nfs/dbraw/zinc/79/43/96/354794396.db2.gz XNYPIWFSLKGQPA-UKRRQHHQSA-N 2 0 283.416 -0.081 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2C[C@H]2C2CC2)CC1 ZINC000567699998 354794434 /nfs/dbraw/zinc/79/44/34/354794434.db2.gz BYAVWFKHNFPRPF-MELADBBJSA-N 2 0 253.390 -0.017 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000567765526 354796518 /nfs/dbraw/zinc/79/65/18/354796518.db2.gz ZEYPWXIBHJJEDF-XQQFMLRXSA-N 2 0 296.415 -0.312 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000570716402 354867668 /nfs/dbraw/zinc/86/76/68/354867668.db2.gz JJZTWLLDYVJFEJ-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000570698890 354867742 /nfs/dbraw/zinc/86/77/42/354867742.db2.gz JZTFHNWABFHMIE-WOPDTQHZSA-N 2 0 297.403 -0.687 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000570800288 354869695 /nfs/dbraw/zinc/86/96/95/354869695.db2.gz IEDNQHOKTOANDF-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC1(C[NH3+])CCCC1 ZINC000570843657 354870480 /nfs/dbraw/zinc/87/04/80/354870480.db2.gz PLZHJGKQKBWKOI-NSHDSACASA-N 2 0 270.377 -0.526 20 0 CBADRP CC1(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C[NH2+]C1 ZINC000570962832 354873711 /nfs/dbraw/zinc/87/37/11/354873711.db2.gz JKEHNBASGGELSB-LLVKDONJSA-N 2 0 278.360 -0.490 20 0 CBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000570986167 354875185 /nfs/dbraw/zinc/87/51/85/354875185.db2.gz MENZEHFUJKIMFS-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP C[C@@H]1CN(C(=O)N2CCN(C)C[C@@H]2C[NH3+])C[C@@]1(C)C[NH3+] ZINC000571062861 354875847 /nfs/dbraw/zinc/87/58/47/354875847.db2.gz ABKAURJWWXKMKY-MBNYWOFBSA-N 2 0 283.420 -0.402 20 0 CBADRP C[C@@H]1C[N@H+](CCC(=O)N2CCN(C)CC2)CC[C@H]1[NH3+] ZINC000571047358 354875976 /nfs/dbraw/zinc/87/59/76/354875976.db2.gz VAFLOCMOXHSTNJ-CHWSQXEVSA-N 3 0 268.405 -0.180 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC[C@H]1CCC[NH2+]1 ZINC000569809603 354846072 /nfs/dbraw/zinc/84/60/72/354846072.db2.gz PSOCWQWTNCIYDJ-VXGBXAGGSA-N 2 0 282.388 -0.497 20 0 CBADRP CN(C[C@H]1CCC[N@H+](CCOCC[NH3+])C1)S(C)(=O)=O ZINC000569811290 354847350 /nfs/dbraw/zinc/84/73/50/354847350.db2.gz QLTRMGHLFFDNJL-GFCCVEGCSA-N 2 0 293.433 -0.435 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000569809891 354847397 /nfs/dbraw/zinc/84/73/97/354847397.db2.gz BFVFLFRMDFFICA-XQQFMLRXSA-N 2 0 296.415 -0.075 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)CC1(C[NH3+])CC1 ZINC000569839535 354848216 /nfs/dbraw/zinc/84/82/16/354848216.db2.gz DONHHMQYTZVFNE-UHFFFAOYSA-N 2 0 268.361 -0.994 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000569844850 354848539 /nfs/dbraw/zinc/84/85/39/354848539.db2.gz BVAFHRZNSLBNNL-OLZOCXBDSA-N 2 0 296.415 -0.003 20 0 CBADRP COC[C@]1(CNC(=O)C[C@H](C[NH3+])OC)CCC[NH2+]1 ZINC000570091183 354853376 /nfs/dbraw/zinc/85/33/76/354853376.db2.gz CPKPAUOSMDZJSF-ZYHUDNBSSA-N 2 0 259.350 -0.765 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000570089065 354853706 /nfs/dbraw/zinc/85/37/06/354853706.db2.gz UCDCYAXGBXDCKH-AEJSXWLSSA-N 2 0 255.318 -0.770 20 0 CBADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000570147394 354855522 /nfs/dbraw/zinc/85/55/22/354855522.db2.gz XFBDFNOQEFRYBC-STQMWFEESA-N 2 0 285.436 -0.001 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])CCC(=O)OC ZINC000570449383 354862160 /nfs/dbraw/zinc/86/21/60/354862160.db2.gz ZSRPEMUZNXLPKY-VHSXEESVSA-N 2 0 259.350 -0.099 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000570517700 354863913 /nfs/dbraw/zinc/86/39/13/354863913.db2.gz NTQHRWRHEDFSAH-GARJFASQSA-N 2 0 280.376 -0.114 20 0 CBADRP O=C(CCOC1C[NH2+]C1)NCC[N@@H+]1CCCOCC1 ZINC000570567875 354864808 /nfs/dbraw/zinc/86/48/08/354864808.db2.gz YQETUFORBNRXMW-UHFFFAOYSA-N 2 0 271.361 -0.797 20 0 CBADRP CN1CCN(C(=O)CC[C@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000570568703 354864991 /nfs/dbraw/zinc/86/49/91/354864991.db2.gz DWTTZWXEWQXIGO-NWDGAFQWSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000572117719 354886106 /nfs/dbraw/zinc/88/61/06/354886106.db2.gz LDILYSHPMWWDGC-YNEHKIRRSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000572164212 354888186 /nfs/dbraw/zinc/88/81/86/354888186.db2.gz VKOSDBDIBMXQFJ-BZPMIXESSA-N 2 0 266.389 -0.510 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000572241506 354889011 /nfs/dbraw/zinc/88/90/11/354889011.db2.gz YNORWINXSXNQPS-GFCCVEGCSA-N 2 0 266.345 -0.349 20 0 CBADRP C[C@]1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC000572287785 354890724 /nfs/dbraw/zinc/89/07/24/354890724.db2.gz LRMOVLFTQOTAJY-ZFWWWQNUSA-N 2 0 280.416 -0.118 20 0 CBADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000572494541 354892512 /nfs/dbraw/zinc/89/25/12/354892512.db2.gz YQLYEMSPDLFIGK-UTUOFQBUSA-N 2 0 257.378 -0.067 20 0 CBADRP C[C@@H]1C[C@H](C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[NH2+]1 ZINC000572498226 354893049 /nfs/dbraw/zinc/89/30/49/354893049.db2.gz MJWSVLXZXXXQBK-FVCCEPFGSA-N 3 0 266.389 -0.382 20 0 CBADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC(=O)N1CC[NH2+]CC1 ZINC000572749323 354896648 /nfs/dbraw/zinc/89/66/48/354896648.db2.gz UWLXICBIALVQQO-ZFWWWQNUSA-N 2 0 290.411 -0.034 20 0 CBADRP COC[C@@]1(CNC(=O)[C@H]([NH3+])C2CCC2)CCC[NH2+]1 ZINC000572760515 354897152 /nfs/dbraw/zinc/89/71/52/354897152.db2.gz UAFYDFVSYZSJRB-YPMHNXCESA-N 2 0 255.362 -0.001 20 0 CBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000572869870 354899804 /nfs/dbraw/zinc/89/98/04/354899804.db2.gz VBMPVJCNPOWFKA-SNVBAGLBSA-N 2 0 266.349 -0.503 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000572977060 354902277 /nfs/dbraw/zinc/90/22/77/354902277.db2.gz AOXKWYIZQWVUAM-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000573019245 354904133 /nfs/dbraw/zinc/90/41/33/354904133.db2.gz RHPSFBWVRGDSOY-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](COCCOC)C1 ZINC000573126259 354905599 /nfs/dbraw/zinc/90/55/99/354905599.db2.gz MOMTZZWQKLPUKI-CHWSQXEVSA-N 2 0 260.378 -0.058 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000573117173 354906140 /nfs/dbraw/zinc/90/61/40/354906140.db2.gz FSVOXHPQHOZYBB-TUAOUCFPSA-N 2 0 253.346 -0.425 20 0 CBADRP C([C@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000573248730 354909057 /nfs/dbraw/zinc/90/90/57/354909057.db2.gz GLHNWZBGPQKABF-UONOGXRCSA-N 2 0 252.406 -0.035 20 0 CBADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000573248731 354909432 /nfs/dbraw/zinc/90/94/32/354909432.db2.gz GLHNWZBGPQKABF-ZIAGYGMSSA-N 2 0 252.406 -0.035 20 0 CBADRP CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]CCC(N)=O ZINC000571874835 354882196 /nfs/dbraw/zinc/88/21/96/354882196.db2.gz FOTIFSTZYBDGJF-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP Cn1cc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])ccc1=O ZINC000571880222 354882439 /nfs/dbraw/zinc/88/24/39/354882439.db2.gz ZREVDSNSSXNFSE-NSHDSACASA-N 2 0 264.329 -0.900 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCOC2(C)C)CC1 ZINC000573596204 354916755 /nfs/dbraw/zinc/91/67/55/354916755.db2.gz KAMMLEHOUAVCDZ-STQMWFEESA-N 2 0 271.405 -0.248 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000573743666 354920971 /nfs/dbraw/zinc/92/09/71/354920971.db2.gz XJQWQXRIPOZEAQ-QWRGUYRKSA-N 2 0 256.350 -0.632 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000573864607 354923747 /nfs/dbraw/zinc/92/37/47/354923747.db2.gz RNMUARUDDYYJMU-GARJFASQSA-N 2 0 280.372 -0.794 20 0 CBADRP CO[C@@H]1CC[C@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000574023980 354926157 /nfs/dbraw/zinc/92/61/57/354926157.db2.gz GYMMKMCEOMKMIW-SDDRHHMPSA-N 2 0 270.377 -0.162 20 0 CBADRP Nc1cc[nH+]cc1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000578194136 354941130 /nfs/dbraw/zinc/94/11/30/354941130.db2.gz LLLZCCUDWDUZME-LLVKDONJSA-N 2 0 275.356 -0.386 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000578227295 354941562 /nfs/dbraw/zinc/94/15/62/354941562.db2.gz VNJKIRRQWZLIGA-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](CCCC[NH3+])NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000578454283 354947108 /nfs/dbraw/zinc/94/71/08/354947108.db2.gz VSYARZLHBSRSSU-GRYCIOLGSA-N 2 0 297.403 -0.543 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000579117161 354961854 /nfs/dbraw/zinc/96/18/54/354961854.db2.gz NASDBEZRBLLSHW-CYBMUJFWSA-N 2 0 267.377 -0.040 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)COC2C[NH2+]C2)C1 ZINC000578627949 354950472 /nfs/dbraw/zinc/95/04/72/354950472.db2.gz SRYNVPNWEBBSND-AAEUAGOBSA-N 2 0 267.373 -0.083 20 0 CBADRP CC(C)(C)[NH2+]CCN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000578668886 354952965 /nfs/dbraw/zinc/95/29/65/354952965.db2.gz SZQSHPZNNNGSRG-GHMZBOCLSA-N 2 0 254.378 -0.382 20 0 CBADRP CCN(C)C(=O)CC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000578771159 354954883 /nfs/dbraw/zinc/95/48/83/354954883.db2.gz VVIFCBMOQKLWGJ-GFCCVEGCSA-N 2 0 284.404 -0.358 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000573684875 354918473 /nfs/dbraw/zinc/91/84/73/354918473.db2.gz PXLZZELUGDCNOT-BXKDBHETSA-N 2 0 257.334 -0.490 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)[C@H]2C1 ZINC000579105936 354962197 /nfs/dbraw/zinc/96/21/97/354962197.db2.gz KEBFAMPCMXKVPV-UPJWGTAASA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000579122741 354963382 /nfs/dbraw/zinc/96/33/82/354963382.db2.gz KTXVMFDBACACNZ-QWHCGFSZSA-N 2 0 268.405 -0.180 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000579353699 354967964 /nfs/dbraw/zinc/96/79/64/354967964.db2.gz FWSVTRLROIGXPW-MGPQQGTHSA-N 2 0 271.405 -0.512 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000579828682 354979986 /nfs/dbraw/zinc/97/99/86/354979986.db2.gz JOUBJVHBRUEQIN-NEPJUHHUSA-N 2 0 256.394 -0.264 20 0 CBADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000579828684 354980009 /nfs/dbraw/zinc/98/00/09/354980009.db2.gz JOUBJVHBRUEQIN-RYUDHWBXSA-N 2 0 256.394 -0.264 20 0 CBADRP C[N@H+](CCNC(=O)c1cn(CCC[NH3+])nn1)C1CC1 ZINC000579946300 354982721 /nfs/dbraw/zinc/98/27/21/354982721.db2.gz HMSJANAKZDCELX-UHFFFAOYSA-N 2 0 266.349 -0.549 20 0 CBADRP CO[C@H]1CCN(C(=O)CCOC2C[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000579946028 354983228 /nfs/dbraw/zinc/98/32/28/354983228.db2.gz MENYVISKJPQQSH-MNOVXSKESA-N 2 0 271.361 -0.670 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cn(CCC[NH3+])nn1 ZINC000580063601 354987370 /nfs/dbraw/zinc/98/73/70/354987370.db2.gz RHZWQSWHDWWWES-JQWIXIFHSA-N 2 0 280.376 -0.031 20 0 CBADRP [NH3+][C@H](CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000580174232 354989067 /nfs/dbraw/zinc/98/90/67/354989067.db2.gz XLHUTUPBXDANQI-NWDGAFQWSA-N 2 0 280.372 -0.854 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@H](C[NH3+])C1 ZINC000580299703 354991463 /nfs/dbraw/zinc/99/14/63/354991463.db2.gz DHRGMMDAFRKWAC-MCIONIFRSA-N 2 0 295.431 -0.103 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@H](C[NH3+])C1 ZINC000580299704 354991812 /nfs/dbraw/zinc/99/18/12/354991812.db2.gz DHRGMMDAFRKWAC-MGPQQGTHSA-N 2 0 295.431 -0.103 20 0 CBADRP [NH3+]C[C@@H]1CN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCCO1 ZINC000580312573 354992652 /nfs/dbraw/zinc/99/26/52/354992652.db2.gz ZQCAEEKZHGYCHF-PMPSAXMXSA-N 2 0 293.411 -0.033 20 0 CBADRP CC(C)([NH3+])CN1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000580326653 354993328 /nfs/dbraw/zinc/99/33/28/354993328.db2.gz WOCWGOOQLASNGB-QWHCGFSZSA-N 2 0 295.431 -0.056 20 0 CBADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000580413270 354995402 /nfs/dbraw/zinc/99/54/02/354995402.db2.gz AYWHJTRLRNQLEA-NEPJUHHUSA-N 2 0 270.377 -0.290 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000580950189 355001581 /nfs/dbraw/zinc/00/15/81/355001581.db2.gz HPVLFJPSNWQMOF-FRRDWIJNSA-N 2 0 294.399 -0.687 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000580951116 355001611 /nfs/dbraw/zinc/00/16/11/355001611.db2.gz VCYMOSMSZSWAQW-YPMHNXCESA-N 2 0 255.362 -0.320 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000584466796 355029885 /nfs/dbraw/zinc/02/98/85/355029885.db2.gz LYSRTRHHYHKRMY-LLVKDONJSA-N 2 0 280.376 -0.159 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]([NH3+])CCC(=O)OC)C1 ZINC000584350117 355029975 /nfs/dbraw/zinc/02/99/75/355029975.db2.gz OZMMKSLBGDIXBG-UWVGGRQHSA-N 2 0 257.334 -0.523 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000584519395 355031375 /nfs/dbraw/zinc/03/13/75/355031375.db2.gz HMVKFYNNQVCAMP-YPMHNXCESA-N 2 0 281.404 -0.493 20 0 CBADRP C[C@@H](NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)[C@H](C)[NH3+] ZINC000584589974 355032986 /nfs/dbraw/zinc/03/29/86/355032986.db2.gz DOHDNVVPFIDPIV-IVZWLZJFSA-N 2 0 266.349 -0.504 20 0 CBADRP C[NH2+]C[C@](C)(O)CN1CCC([NH2+]CCOC)CC1 ZINC000584634913 355033758 /nfs/dbraw/zinc/03/37/58/355033758.db2.gz QETFXROHZDHELM-ZDUSSCGKSA-N 2 0 259.394 -0.343 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@H]([NH2+]CC2(O)CCCC2)C1=O ZINC000584727819 355036455 /nfs/dbraw/zinc/03/64/55/355036455.db2.gz AVWLASZDKJFNCM-NSHDSACASA-N 2 0 283.372 -0.430 20 0 CBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000584766094 355037132 /nfs/dbraw/zinc/03/71/32/355037132.db2.gz KDZIMXDRKMWMRM-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1CN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)[C@@H](C)C[NH2+]1 ZINC000582062567 355006626 /nfs/dbraw/zinc/00/66/26/355006626.db2.gz OWSSRWMQDUEHGG-FRRDWIJNSA-N 2 0 268.405 -0.134 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000582073160 355007044 /nfs/dbraw/zinc/00/70/44/355007044.db2.gz UXJICUOTBMHAJY-QWHCGFSZSA-N 2 0 296.415 -0.168 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000582240782 355011758 /nfs/dbraw/zinc/01/17/58/355011758.db2.gz LTFBQRKKAOPRAX-WMINBDIOSA-N 2 0 279.384 -0.147 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000582252224 355013291 /nfs/dbraw/zinc/01/32/91/355013291.db2.gz AFKWXKOQRQQQDY-LBPRGKRZSA-N 2 0 282.388 -0.146 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000582410569 355015694 /nfs/dbraw/zinc/01/56/94/355015694.db2.gz ZBTGSDNSVBYFQR-WZRBSPASSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000582410567 355015751 /nfs/dbraw/zinc/01/57/51/355015751.db2.gz ZBTGSDNSVBYFQR-NQBHXWOUSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000583500314 355018184 /nfs/dbraw/zinc/01/81/84/355018184.db2.gz SZTNPFRYJUWVBV-AXFHLTTASA-N 2 0 282.388 -0.419 20 0 CBADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000583499139 355018273 /nfs/dbraw/zinc/01/82/73/355018273.db2.gz RBBAJWBZENIDPE-UEGILFFDSA-N 2 0 294.399 -0.513 20 0 CBADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000583565404 355020308 /nfs/dbraw/zinc/02/03/08/355020308.db2.gz KFCQDXKIJQYSLK-RYUDHWBXSA-N 3 0 254.378 -0.523 20 0 CBADRP CCC[C@@H]1CN(C(=O)[C@H](C[NH3+])OC)CC[N@@H+]1CCOC ZINC000583633820 355022055 /nfs/dbraw/zinc/02/20/55/355022055.db2.gz YCLKIDPREAJQFE-OLZOCXBDSA-N 2 0 287.404 -0.081 20 0 CBADRP CCC[C@H]1CN(C(=O)[C@@H](C[NH3+])OC)CC[N@@H+]1CCOC ZINC000583633821 355022696 /nfs/dbraw/zinc/02/26/96/355022696.db2.gz YCLKIDPREAJQFE-QWHCGFSZSA-N 2 0 287.404 -0.081 20 0 CBADRP CC[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000583867054 355023480 /nfs/dbraw/zinc/02/34/80/355023480.db2.gz QHUMWQHPSCUBAG-MJBXVCDLSA-N 2 0 271.405 -0.248 20 0 CBADRP [NH3+]C1(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCC1 ZINC000584052468 355028640 /nfs/dbraw/zinc/02/86/40/355028640.db2.gz LLFGHCPRNMEMEJ-VIFPVBQESA-N 2 0 294.321 -0.180 20 0 CBADRP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000408076704 137754289 /nfs/dbraw/zinc/75/42/89/137754289.db2.gz MPIYMUJFKUUUFH-SECBINFHSA-N 2 0 256.350 -0.157 20 0 CBADRP CSC[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000591734985 355112236 /nfs/dbraw/zinc/11/22/36/355112236.db2.gz FYAOQXGFEHITEZ-RYUDHWBXSA-N 2 0 289.445 -0.113 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000592548426 355161152 /nfs/dbraw/zinc/16/11/52/355161152.db2.gz PRGKOEPEWYXUJI-MNOVXSKESA-N 2 0 269.345 -0.651 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000592546519 355161157 /nfs/dbraw/zinc/16/11/57/355161157.db2.gz ANSYDSQRYXRZPZ-NXEZZACHSA-N 2 0 257.334 -0.795 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000592546993 355161192 /nfs/dbraw/zinc/16/11/92/355161192.db2.gz CWKOVHVFEFSOKG-ZJUUUORDSA-N 2 0 255.318 -0.898 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CC(C)(C)[NH3+] ZINC000592548969 355161568 /nfs/dbraw/zinc/16/15/68/355161568.db2.gz VKKDJSXPMJLIBS-SECBINFHSA-N 2 0 257.334 -0.523 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000592554496 355162385 /nfs/dbraw/zinc/16/23/85/355162385.db2.gz MVLUBHRFURLTGD-MJVIPROJSA-N 2 0 281.356 -0.651 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CC[C@@H](C)[NH3+] ZINC000592557572 355163524 /nfs/dbraw/zinc/16/35/24/355163524.db2.gz ZVXNAQLLQYRYTO-NXEZZACHSA-N 2 0 257.334 -0.523 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000592135925 355133134 /nfs/dbraw/zinc/13/31/34/355133134.db2.gz YKNUGSXOLJMUBO-VXGBXAGGSA-N 2 0 283.372 -0.133 20 0 CBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CCO3)C2)CC1 ZINC000592134225 355133845 /nfs/dbraw/zinc/13/38/45/355133845.db2.gz LLSPALPCFBEFPP-KGLIPLIRSA-N 2 0 296.415 -0.787 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000592293095 355146403 /nfs/dbraw/zinc/14/64/03/355146403.db2.gz QZDKYUWMWYBWTE-ZJUUUORDSA-N 2 0 257.334 -0.475 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000592343046 355149272 /nfs/dbraw/zinc/14/92/72/355149272.db2.gz DDNABKUXRZUKNF-OPRDCNLKSA-N 2 0 257.334 -0.476 20 0 CBADRP CS[C@H](CO)[C@@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000592430978 355153589 /nfs/dbraw/zinc/15/35/89/355153589.db2.gz FTMOPPNMCTVZMC-JHJVBQTASA-N 2 0 291.461 -0.703 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000592471535 355155355 /nfs/dbraw/zinc/15/53/55/355155355.db2.gz YDWADRDPFPONDJ-JTQLQIEISA-N 2 0 257.334 -0.712 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[NH+](C)C ZINC000592472225 355155650 /nfs/dbraw/zinc/15/56/50/355155650.db2.gz XZQFITAJCHELBK-CYBMUJFWSA-N 2 0 285.436 -0.127 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000592471024 355155713 /nfs/dbraw/zinc/15/57/13/355155713.db2.gz KNWORFDVUTWENP-DCAQKATOSA-N 2 0 271.361 -0.147 20 0 CBADRP NC(=O)NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000592489099 355157180 /nfs/dbraw/zinc/15/71/80/355157180.db2.gz GSEMNLKPMRNYEZ-LBPRGKRZSA-N 2 0 254.334 -0.353 20 0 CBADRP COC(=O)c1cn([C@@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)nn1 ZINC000592495587 355158185 /nfs/dbraw/zinc/15/81/85/355158185.db2.gz MOQSKUGIENLOAR-WDEREUQCSA-N 2 0 279.344 -0.079 20 0 CBADRP COC(=O)c1cn(C2CC[NH+](CCOCC[NH3+])CC2)nn1 ZINC000592495531 355158495 /nfs/dbraw/zinc/15/84/95/355158495.db2.gz LCEHRWYDYVSXLN-UHFFFAOYSA-N 2 0 297.359 -0.323 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[N@H+](C)C(C)C ZINC000592962413 355187376 /nfs/dbraw/zinc/18/73/76/355187376.db2.gz FCNAMSGDFCDCLB-NSHDSACASA-N 2 0 271.361 -0.310 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000593908067 355228220 /nfs/dbraw/zinc/22/82/20/355228220.db2.gz XHIPPEWOHADPHK-NEPJUHHUSA-N 2 0 283.372 -0.260 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CC[NH2+]C1CC1 ZINC000594444862 355248827 /nfs/dbraw/zinc/24/88/27/355248827.db2.gz ZMWXERZMRZGMKO-NSHDSACASA-N 2 0 269.345 -0.508 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594885731 355268246 /nfs/dbraw/zinc/26/82/46/355268246.db2.gz HMJKDVSWWDUIJT-GRYCIOLGSA-N 2 0 280.372 -0.759 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCC[C@@H](C)[NH+](C)C ZINC000595939180 355321338 /nfs/dbraw/zinc/32/13/38/355321338.db2.gz GJRYLFTZLYNESY-ZJUUUORDSA-N 2 0 259.350 -0.277 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595266060 355276103 /nfs/dbraw/zinc/27/61/03/355276103.db2.gz YDAHJMNPYMGRFV-USZNOCQGSA-N 2 0 295.387 -0.920 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC[NH2+]1 ZINC000595264650 355276673 /nfs/dbraw/zinc/27/66/73/355276673.db2.gz DSNNNZZMXZPLMC-WYUUTHIRSA-N 2 0 295.387 -0.920 20 0 CBADRP COC(=O)CCN1CC[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000595294265 355279881 /nfs/dbraw/zinc/27/98/81/355279881.db2.gz YHNUIZXMFHTVAY-UTUOFQBUSA-N 2 0 281.356 -0.698 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420312010 291065462 /nfs/dbraw/zinc/06/54/62/291065462.db2.gz HNDHMEXANOBMEY-WDEREUQCSA-N 2 0 271.361 -0.323 20 0 CBADRP CS[C@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@@H]1[NH+]1CCCC1 ZINC000599067151 355461918 /nfs/dbraw/zinc/46/19/18/355461918.db2.gz BZHNHUHCEMERLW-IUCAKERBSA-N 2 0 295.416 -0.287 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000599933166 355519348 /nfs/dbraw/zinc/51/93/48/355519348.db2.gz CZRWUXZNPQQTRZ-WHOHXGKFSA-N 2 0 295.387 -0.920 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000601269995 355582648 /nfs/dbraw/zinc/58/26/48/355582648.db2.gz JERJPFGYESBDKR-STQMWFEESA-N 2 0 283.420 -0.374 20 0 CBADRP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCOCC[NH2+]C ZINC000600729357 355563119 /nfs/dbraw/zinc/56/31/19/355563119.db2.gz FLRQPBZLNVFWHQ-JTQLQIEISA-N 2 0 274.365 -0.612 20 0 CBADRP CC[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[NH+](C)C ZINC000600761396 355564897 /nfs/dbraw/zinc/56/48/97/355564897.db2.gz PKYQCULZLHZJPA-GMTAPVOTSA-N 2 0 268.361 -0.903 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000601026910 355576828 /nfs/dbraw/zinc/57/68/28/355576828.db2.gz ZRPKEYGWJLKZQB-CHWSQXEVSA-N 2 0 268.405 -0.167 20 0 CBADRP CC[C@@H](C(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC)[NH+](C)C ZINC000602491403 355653881 /nfs/dbraw/zinc/65/38/81/355653881.db2.gz HUEHGLOAURVGRT-WDEREUQCSA-N 2 0 271.361 -0.310 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H](C)[NH+](C)C ZINC000602491346 355654165 /nfs/dbraw/zinc/65/41/65/355654165.db2.gz GUZNRPVOUULTJF-NXEZZACHSA-N 2 0 257.334 -0.700 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000602523697 355657259 /nfs/dbraw/zinc/65/72/59/355657259.db2.gz HMJKDVSWWDUIJT-SRVKXCTJSA-N 2 0 280.372 -0.759 20 0 CBADRP C[N@H+](CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)CC(C)(C)C ZINC000602523805 355657307 /nfs/dbraw/zinc/65/73/07/355657307.db2.gz IGEGCZURTXTLRE-RYUDHWBXSA-N 2 0 296.415 -0.265 20 0 CBADRP C[N@H+](CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)CC(C)(C)C ZINC000602523799 355657653 /nfs/dbraw/zinc/65/76/53/355657653.db2.gz IGEGCZURTXTLRE-NEPJUHHUSA-N 2 0 296.415 -0.265 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000602592033 355663570 /nfs/dbraw/zinc/66/35/70/355663570.db2.gz GRLSWLNCEARZPA-NEPJUHHUSA-N 2 0 283.372 -0.181 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000602605578 355664908 /nfs/dbraw/zinc/66/49/08/355664908.db2.gz WZZNFHVBQZEIET-SRVKXCTJSA-N 2 0 283.372 -0.133 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@]34CCC[C@H]3C[NH2+]C4)CCN2C1=O ZINC000601974076 355623771 /nfs/dbraw/zinc/62/37/71/355623771.db2.gz LIIPCVHFLXKQMK-OHTBPHCPSA-N 2 0 292.383 -0.854 20 0 CBADRP COC(=O)[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[N@H+](C)C1 ZINC000602165386 355636977 /nfs/dbraw/zinc/63/69/77/355636977.db2.gz ZXTTZOUDVPPMMO-LBPRGKRZSA-N 2 0 297.399 -0.109 20 0 CBADRP CCNC(=O)CN(C)CC(C)C[N@H+](C)CC(=O)NCC ZINC000605576016 355735399 /nfs/dbraw/zinc/73/53/99/355735399.db2.gz VVJWOFHUNZMXKM-UHFFFAOYSA-N 2 0 286.420 -0.242 20 0 CBADRP COC(=O)CN(C)C(=O)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000609536191 355770524 /nfs/dbraw/zinc/77/05/24/355770524.db2.gz DZANUKGJSGHZQF-QWRGUYRKSA-N 2 0 269.345 -0.841 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC000612546193 355840386 /nfs/dbraw/zinc/84/03/86/355840386.db2.gz PSIWGSYJWQDVNR-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000612550941 355840501 /nfs/dbraw/zinc/84/05/01/355840501.db2.gz KENPVMRJSZBNOW-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000612550938 355840546 /nfs/dbraw/zinc/84/05/46/355840546.db2.gz KENPVMRJSZBNOW-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612881189 355854892 /nfs/dbraw/zinc/85/48/92/355854892.db2.gz ZCWFOJLJXKIHHK-YPMHNXCESA-N 2 0 269.393 -0.717 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612905294 355855986 /nfs/dbraw/zinc/85/59/86/355855986.db2.gz RSGYBMHIQOQONN-GFCCVEGCSA-N 2 0 258.366 -0.384 20 0 CBADRP C[C@]1(NC(=O)NCCCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000612912473 355856546 /nfs/dbraw/zinc/85/65/46/355856546.db2.gz VZQPZAICMVQYKA-ZDUSSCGKSA-N 2 0 269.393 -0.667 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612974513 355858480 /nfs/dbraw/zinc/85/84/80/355858480.db2.gz HRXPMVSACLVHCD-WCQYABFASA-N 2 0 284.404 -0.260 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612979882 355858735 /nfs/dbraw/zinc/85/87/35/355858735.db2.gz KGQPABIKCCKETF-GFCCVEGCSA-N 2 0 284.404 -0.258 20 0 CBADRP C(=C\CN1C[C@@H]2C[NH2+]C[C@H]2C1)\CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613996123 355926494 /nfs/dbraw/zinc/92/64/94/355926494.db2.gz PWEDYBAZADZXAJ-UKTXIIABSA-N 2 0 276.428 -0.155 20 0 CBADRP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000614065613 355933336 /nfs/dbraw/zinc/93/33/36/355933336.db2.gz QTVDELQSKGJEGS-GXTWGEPZSA-N 2 0 269.389 -0.147 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000614065614 355933338 /nfs/dbraw/zinc/93/33/38/355933338.db2.gz QTVDELQSKGJEGS-JSGCOSHPSA-N 2 0 269.389 -0.147 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614854791 355991908 /nfs/dbraw/zinc/99/19/08/355991908.db2.gz SJYICNHTJBHCSB-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H](C(=O)N[C@@]1(C)CCN(C(=O)[C@H](C)[NH+](C)C)C1)[NH+](C)C ZINC000614983988 356001069 /nfs/dbraw/zinc/00/10/69/356001069.db2.gz JLJBPOIVKREEQA-HUBLWGQQSA-N 2 0 298.431 -0.006 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000614506101 355965680 /nfs/dbraw/zinc/96/56/80/355965680.db2.gz VWOOLXIMVJWNIL-KBPBESRZSA-N 2 0 280.416 -0.166 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000614514264 355968034 /nfs/dbraw/zinc/96/80/34/355968034.db2.gz KWLNETLBJYVREM-LBPRGKRZSA-N 2 0 266.389 -0.413 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[NH+](C)C ZINC000617752081 356154411 /nfs/dbraw/zinc/15/44/11/356154411.db2.gz JBCVQJAFNYEPTB-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP CN(CC1C[NH+](C)C1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000618194271 356179578 /nfs/dbraw/zinc/17/95/78/356179578.db2.gz XOCHZKUPHUPTGD-ZDUSSCGKSA-N 2 0 296.415 -0.584 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000619898072 356229891 /nfs/dbraw/zinc/22/98/91/356229891.db2.gz QFRSMCCAHRWQOY-KBPBESRZSA-N 2 0 280.416 -0.023 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C1 ZINC000618308377 356186828 /nfs/dbraw/zinc/18/68/28/356186828.db2.gz IIKZNVXYQBKSHO-CYBMUJFWSA-N 2 0 298.431 -0.193 20 0 CBADRP CC(C)[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC[NH2+]1 ZINC000621155558 356257491 /nfs/dbraw/zinc/25/74/91/356257491.db2.gz HYSWUVLDEKWQEI-UONOGXRCSA-N 2 0 280.416 -0.167 20 0 CBADRP O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@@H]1C[NH2+]CCO1 ZINC000621665118 356279957 /nfs/dbraw/zinc/27/99/57/356279957.db2.gz QVQRBGAZXBMAIW-RYUDHWBXSA-N 2 0 255.362 -0.129 20 0 CBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C2 ZINC000621684029 356280385 /nfs/dbraw/zinc/28/03/85/356280385.db2.gz GRRREVNKWJVLCJ-JMSVASOKSA-N 2 0 294.399 -0.416 20 0 CBADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)C2 ZINC000621684859 356280582 /nfs/dbraw/zinc/28/05/82/356280582.db2.gz UNTWASZKMQFHNM-WDMOLILDSA-N 2 0 280.372 -0.806 20 0 CBADRP [NH3+][C@]12CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)C2 ZINC000621784308 356284584 /nfs/dbraw/zinc/28/45/84/356284584.db2.gz MTNPEGMWXYHPTC-OCCSQVGLSA-N 2 0 266.389 -0.379 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)C1CC1 ZINC000621839032 356288941 /nfs/dbraw/zinc/28/89/41/356288941.db2.gz MWLGLXLBHQYBGL-XHDPSFHLSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@@H]1C[N@H+](CCCNc2nc(N)[nH+]c(N)n2)CCCO1 ZINC000624158546 356399781 /nfs/dbraw/zinc/39/97/81/356399781.db2.gz DTQBZCNHPDCDIW-SECBINFHSA-N 2 0 281.364 -0.969 20 0 CBADRP C[NH+](C)[C@H](CNc1nc(N)[nH+]c(N)n1)c1cccs1 ZINC000623798493 356376684 /nfs/dbraw/zinc/37/66/84/356376684.db2.gz XCGBILXYNJNKBJ-SSDOTTSWSA-N 2 0 279.373 -0.105 20 0 CBADRP CC(C)[NH+]1CCC(Nc2nc(N)[nH+]c(N)n2)CC1 ZINC000623810329 356377020 /nfs/dbraw/zinc/37/70/20/356377020.db2.gz TVISCYUHIABLLY-UHFFFAOYSA-N 2 0 251.338 -0.597 20 0 CBADRP C[NH+](C)[C@H](CNc1nc(N)[nH+]c(N)n1)c1ccsc1 ZINC000623844850 356379143 /nfs/dbraw/zinc/37/91/43/356379143.db2.gz HHTKPPNJAXCUGY-MRVPVSSYSA-N 2 0 279.373 -0.105 20 0 CBADRP C[C@@H](CNc1nc(N)[nH+]c(N)n1)[N@@H+]1CCCC[C@@H]1C ZINC000623857271 356379370 /nfs/dbraw/zinc/37/93/70/356379370.db2.gz LKTGRIOELRAFHG-IUCAKERBSA-N 2 0 265.365 -0.207 20 0 CBADRP Nc1nc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)nc(N)[nH+]1 ZINC000623846250 356379600 /nfs/dbraw/zinc/37/96/00/356379600.db2.gz PYXGIYIQTBCRJU-JTQLQIEISA-N 2 0 293.375 -0.612 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000623907944 356381553 /nfs/dbraw/zinc/38/15/53/356381553.db2.gz JNQKDBLPIZVZGL-SECBINFHSA-N 2 0 265.365 -0.349 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000623961099 356385273 /nfs/dbraw/zinc/38/52/73/356385273.db2.gz SKUCODIZRWINRG-QMMMGPOBSA-N 2 0 251.338 -0.595 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)c2nc(N)[nH+]c(N)n2)[C@H](C)C1 ZINC000623991414 356386225 /nfs/dbraw/zinc/38/62/25/356386225.db2.gz HCAOEBNALRBSSK-BDAKNGLRSA-N 2 0 265.365 -0.137 20 0 CBADRP CC[N@@H+]1CC[C@@H](N(C)c2nc(N)[nH+]c(N)n2)[C@@H](C)C1 ZINC000623991415 356386309 /nfs/dbraw/zinc/38/63/09/356386309.db2.gz HCAOEBNALRBSSK-DTWKUNHWSA-N 2 0 265.365 -0.137 20 0 CBADRP CCC[N@H+](C)C[C@@H]1CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624005567 356388337 /nfs/dbraw/zinc/38/83/37/356388337.db2.gz UZCKYJXWFAZLTK-VIFPVBQESA-N 2 0 265.365 -0.135 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624006393 356388410 /nfs/dbraw/zinc/38/84/10/356388410.db2.gz VTWJVQWJYYMGEK-QMMMGPOBSA-N 2 0 251.338 -0.383 20 0 CBADRP C[N@H+](CC1CC1)C[C@@H]1CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624011737 356389053 /nfs/dbraw/zinc/38/90/53/356389053.db2.gz HPYKJQVPLOCWPQ-JTQLQIEISA-N 2 0 277.376 -0.135 20 0 CBADRP CC(C)OCC[NH+]1CCC(Nc2nc(N)[nH+]c(N)n2)CC1 ZINC000624016710 356389230 /nfs/dbraw/zinc/38/92/30/356389230.db2.gz CKXPMSNWTUHNPK-UHFFFAOYSA-N 2 0 295.391 -0.580 20 0 CBADRP CCCN(CCC[NH+](C)C)c1nc(N)[nH+]c(N)n1 ZINC000624150444 356399504 /nfs/dbraw/zinc/39/95/04/356399504.db2.gz IPZOGILVNVJVEN-UHFFFAOYSA-N 2 0 253.354 -0.135 20 0 CBADRP CN(CC[NH+]1CCCCC1)c1nc(N)[nH+]c(N)n1 ZINC000624354789 356413371 /nfs/dbraw/zinc/41/33/71/356413371.db2.gz RANWIGSAPVERFF-UHFFFAOYSA-N 2 0 251.338 -0.381 20 0 CBADRP CCn1cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cn1 ZINC000624369848 356414835 /nfs/dbraw/zinc/41/48/35/356414835.db2.gz SUEMGUAAGOEULV-UHFFFAOYSA-N 2 0 289.405 -0.409 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000624383996 356415780 /nfs/dbraw/zinc/41/57/80/356415780.db2.gz AKNOOFLXUNFTAK-SSDOTTSWSA-N 2 0 251.338 -0.597 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000624384298 356416050 /nfs/dbraw/zinc/41/60/50/356416050.db2.gz MPMUYGXNIFRUCB-MRVPVSSYSA-N 2 0 265.365 -0.349 20 0 CBADRP Nc1nc(NC[C@H]2CC[N@@H+]2C2CCCCC2)nc(N)[nH+]1 ZINC000624492296 356423541 /nfs/dbraw/zinc/42/35/41/356423541.db2.gz HAGXJZKXCNSKEX-SNVBAGLBSA-N 2 0 277.376 -0.062 20 0 CBADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1nc(N)[nH+]c(N)n1 ZINC000624212694 356405394 /nfs/dbraw/zinc/40/53/94/356405394.db2.gz STMPRKRKZDEFDX-DTWKUNHWSA-N 2 0 263.349 -0.240 20 0 CBADRP Nc1nc(N2CCC(CO)([NH2+]CC3CC3)CC2)nc(N)[nH+]1 ZINC000624266892 356408432 /nfs/dbraw/zinc/40/84/32/356408432.db2.gz XIUWJRGBKYUVNP-UHFFFAOYSA-N 2 0 293.375 -0.972 20 0 CBADRP CC[N@@H+]1CCCN(c2nc(N)[nH+]c(N)n2)[C@@H](C)C1 ZINC000624273828 356409719 /nfs/dbraw/zinc/40/97/19/356409719.db2.gz KEBLZMCXGSADHW-QMMMGPOBSA-N 2 0 251.338 -0.383 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000626946074 356558483 /nfs/dbraw/zinc/55/84/83/356558483.db2.gz QZADBSQPQCLOJU-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000626946073 356558577 /nfs/dbraw/zinc/55/85/77/356558577.db2.gz QZADBSQPQCLOJU-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000626950442 356558737 /nfs/dbraw/zinc/55/87/37/356558737.db2.gz RFOZNJXWWLLGJH-LLVKDONJSA-N 2 0 258.366 -0.303 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCCOCCC[NH3+] ZINC000626950230 356558813 /nfs/dbraw/zinc/55/88/13/356558813.db2.gz NIAQDXRICWTMDL-LLVKDONJSA-N 2 0 258.366 -0.255 20 0 CBADRP COCC[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000626950792 356559226 /nfs/dbraw/zinc/55/92/26/356559226.db2.gz BFACUJXUGQLVOH-GFCCVEGCSA-N 2 0 270.377 -0.242 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626949573 356559305 /nfs/dbraw/zinc/55/93/05/356559305.db2.gz FLUMRIIMBANAAV-NSHDSACASA-N 2 0 270.377 -0.112 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@H](C)CC[NH+](C)C ZINC000626954287 356559641 /nfs/dbraw/zinc/55/96/41/356559641.db2.gz TVSFNRQDGHLDEY-LLVKDONJSA-N 2 0 260.382 -0.138 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000626954691 356559901 /nfs/dbraw/zinc/55/99/01/356559901.db2.gz JDSZAOZSQDPBKW-QWRGUYRKSA-N 2 0 258.366 -0.386 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000626954288 356560172 /nfs/dbraw/zinc/56/01/72/356560172.db2.gz TVSFNRQDGHLDEY-NSHDSACASA-N 2 0 260.382 -0.138 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626973354 356561506 /nfs/dbraw/zinc/56/15/06/356561506.db2.gz YNVFAXVBMBJTDI-RWMBFGLXSA-N 2 0 283.420 -0.328 20 0 CBADRP C[C@@H](NC(=O)N(C)CCOCC[NH3+])[C@@H]1CN(C)CCO1 ZINC000627003928 356565686 /nfs/dbraw/zinc/56/56/86/356565686.db2.gz WZMDPLXFESSALI-NEPJUHHUSA-N 2 0 288.392 -0.678 20 0 CBADRP C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1CN(C)CCO1 ZINC000627003979 356565914 /nfs/dbraw/zinc/56/59/14/356565914.db2.gz XRQNKJCIZCXPAK-QCNOEVLYSA-N 2 0 270.377 -0.245 20 0 CBADRP C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CN(C)CCO1 ZINC000627003617 356566132 /nfs/dbraw/zinc/56/61/32/356566132.db2.gz RYDQDIBDSPPNPC-GMTAPVOTSA-N 2 0 256.350 -0.633 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H](C)C[NH+](C)C ZINC000627035691 356569002 /nfs/dbraw/zinc/56/90/02/356569002.db2.gz JVIKDJKVMMTSID-NSHDSACASA-N 2 0 260.382 -0.186 20 0 CBADRP O=C(NCC[N@@H+]1CCCOCC1)N[C@@H]1CC[NH2+]C1 ZINC000627045009 356570055 /nfs/dbraw/zinc/57/00/55/356570055.db2.gz SGTDOSMWDZWOBC-LLVKDONJSA-N 2 0 256.350 -0.630 20 0 CBADRP CN1CCOC[C@H]1CNC(=O)NCCC[NH2+]C1CC1 ZINC000627063847 356571393 /nfs/dbraw/zinc/57/13/93/356571393.db2.gz LRYNRKMGLIXNQU-GFCCVEGCSA-N 2 0 270.377 -0.242 20 0 CBADRP CC[NH2+]CCCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627064922 356571499 /nfs/dbraw/zinc/57/14/99/356571499.db2.gz WHCTYIJQAJZSQZ-LLVKDONJSA-N 2 0 258.366 -0.648 20 0 CBADRP C[NH2+]CCOCCNC(=O)NCC1CC[NH2+]CC1 ZINC000627067244 356572290 /nfs/dbraw/zinc/57/22/90/356572290.db2.gz AARZCLLOKQPXMI-UHFFFAOYSA-N 2 0 258.366 -0.479 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000627066887 356572592 /nfs/dbraw/zinc/57/25/92/356572592.db2.gz YHHKYQMZBAYMSI-NWDGAFQWSA-N 2 0 269.393 -0.669 20 0 CBADRP [NH3+]CCCOCCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000627068724 356572643 /nfs/dbraw/zinc/57/26/43/356572643.db2.gz KFOFKRACWCOEMF-NSHDSACASA-N 2 0 258.366 -0.349 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000627068568 356572696 /nfs/dbraw/zinc/57/26/96/356572696.db2.gz IUZLRNUOEBMDIS-LLVKDONJSA-N 2 0 258.366 -0.397 20 0 CBADRP C[NH2+]CCOCCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000627067423 356572720 /nfs/dbraw/zinc/57/27/20/356572720.db2.gz BNKODLQSEFXJEQ-LLVKDONJSA-N 2 0 258.366 -0.479 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000626982528 356563223 /nfs/dbraw/zinc/56/32/23/356563223.db2.gz KDODHRZXXWUNHT-LBPRGKRZSA-N 2 0 288.392 -0.758 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000626983005 356563407 /nfs/dbraw/zinc/56/34/07/356563407.db2.gz YQDQVTSMUQRDEJ-CHWSQXEVSA-N 2 0 282.388 -0.242 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2C)CCO1 ZINC000627134720 356587769 /nfs/dbraw/zinc/58/77/69/356587769.db2.gz AYULDCRHBKZQEE-TUAOUCFPSA-N 2 0 270.377 -0.162 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2C)CCO1 ZINC000627134718 356587786 /nfs/dbraw/zinc/58/77/86/356587786.db2.gz AYULDCRHBKZQEE-QJPTWQEYSA-N 2 0 270.377 -0.162 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000627135062 356587930 /nfs/dbraw/zinc/58/79/30/356587930.db2.gz MJIROZUILFDCIQ-NEPJUHHUSA-N 2 0 270.377 -0.160 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)NCC1([NH3+])CCOCC1 ZINC000627147480 356588532 /nfs/dbraw/zinc/58/85/32/356588532.db2.gz IVZLPLJBGQKBQT-UHFFFAOYSA-N 2 0 258.366 -0.127 20 0 CBADRP [NH3+]C1(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CCOCC1 ZINC000627148602 356588612 /nfs/dbraw/zinc/58/86/12/356588612.db2.gz YQAPYEPSBDPXRF-RYUDHWBXSA-N 2 0 282.388 -0.112 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000627158690 356591069 /nfs/dbraw/zinc/59/10/69/356591069.db2.gz BJVKIVSAMZCGFL-KXNHARMFSA-N 2 0 270.377 -0.116 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000627160061 356591241 /nfs/dbraw/zinc/59/12/41/356591241.db2.gz WIMVJMJHFFBQMW-WHOHXGKFSA-N 2 0 252.362 -0.012 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@H+](CC)CCO ZINC000627163506 356591889 /nfs/dbraw/zinc/59/18/89/356591889.db2.gz MOQOZFILRLHNIN-NWDGAFQWSA-N 2 0 272.393 -0.260 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000627171034 356592240 /nfs/dbraw/zinc/59/22/40/356592240.db2.gz OUMMXICWOHBOOT-RWMBFGLXSA-N 2 0 284.404 -0.009 20 0 CBADRP CC[C@H]1CN(C(=O)NCCOCC[NH2+]C)CC[C@H]1[NH3+] ZINC000627170583 356592478 /nfs/dbraw/zinc/59/24/78/356592478.db2.gz DFGJFCAMJWZICU-NWDGAFQWSA-N 2 0 272.393 -0.009 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000627170997 356592581 /nfs/dbraw/zinc/59/25/81/356592581.db2.gz NLYMITMLLDLETL-WDEREUQCSA-N 2 0 258.366 -0.399 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000627171998 356593160 /nfs/dbraw/zinc/59/31/60/356593160.db2.gz PAZCSAKFTVCMKW-GFCCVEGCSA-N 2 0 272.393 -0.137 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000627171331 356593235 /nfs/dbraw/zinc/59/32/35/356593235.db2.gz BQQMKHFUZPLUOV-LLVKDONJSA-N 2 0 272.393 -0.009 20 0 CBADRP C[C@H](NC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCC[NH2+]C1 ZINC000627070060 356573649 /nfs/dbraw/zinc/57/36/49/356573649.db2.gz URYLMNZAZLQEDD-YNEHKIRRSA-N 2 0 284.404 -0.260 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627070704 356573832 /nfs/dbraw/zinc/57/38/32/356573832.db2.gz FLIWBJBPCLOLHQ-LBPRGKRZSA-N 2 0 272.393 -0.260 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@@H]1CCC[NH2+]1 ZINC000627073740 356574196 /nfs/dbraw/zinc/57/41/96/356574196.db2.gz KNTUPWUZWYRIFK-WDEREUQCSA-N 2 0 256.350 -0.896 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000627074046 356574803 /nfs/dbraw/zinc/57/48/03/356574803.db2.gz MOEQSMLAZAFIBW-LLVKDONJSA-N 2 0 258.366 -0.384 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627076957 356575423 /nfs/dbraw/zinc/57/54/23/356575423.db2.gz NRASSESHDUUSNH-GHMZBOCLSA-N 2 0 258.366 -0.665 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627079904 356576777 /nfs/dbraw/zinc/57/67/77/356576777.db2.gz XXWMQRMDIMYZPC-AVGNSLFASA-N 2 0 284.404 -0.130 20 0 CBADRP CCC[NH2+]CCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000627081098 356577247 /nfs/dbraw/zinc/57/72/47/356577247.db2.gz KMSKPYLPIDYCJN-UHFFFAOYSA-N 2 0 258.366 -0.207 20 0 CBADRP [NH3+][C@@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)C1CC1 ZINC000627082570 356577278 /nfs/dbraw/zinc/57/72/78/356577278.db2.gz HJRIWKQEDKWRBA-QWRGUYRKSA-N 2 0 256.350 -0.911 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627086153 356579113 /nfs/dbraw/zinc/57/91/13/356579113.db2.gz IXTMLCSLJPGBHR-SDDRHHMPSA-N 2 0 270.377 -0.650 20 0 CBADRP [NH3+][C@H]1CCC[C@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000627087420 356579583 /nfs/dbraw/zinc/57/95/83/356579583.db2.gz JMKHLAFQSNDUKZ-SRVKXCTJSA-N 2 0 270.377 -0.378 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NCC1=CC[NH2+]CC1 ZINC000627087299 356580067 /nfs/dbraw/zinc/58/00/67/356580067.db2.gz HJJQALMNTSAEFG-LBPRGKRZSA-N 2 0 268.361 -0.728 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000627088397 356580601 /nfs/dbraw/zinc/58/06/01/356580601.db2.gz GUGBUSKRBARVIX-QWRGUYRKSA-N 2 0 258.366 -0.338 20 0 CBADRP [NH3+]C[C@@H](NC(=O)NC[C@H]1COCC[NH2+]1)C1CCCC1 ZINC000627089281 356580641 /nfs/dbraw/zinc/58/06/41/356580641.db2.gz LWOKZYLJQCVING-NWDGAFQWSA-N 2 0 270.377 -0.209 20 0 CBADRP C[NH2+]CCOCCNC(=O)NCCC1=CC[NH2+]CC1 ZINC000627089042 356580836 /nfs/dbraw/zinc/58/08/36/356580836.db2.gz HVEQSORYTCOQEE-UHFFFAOYSA-N 2 0 270.377 -0.169 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC[NH2+]1 ZINC000627088486 356580855 /nfs/dbraw/zinc/58/08/55/356580855.db2.gz IONBDHMCXBJASR-SDDRHHMPSA-N 2 0 270.377 -0.507 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC[NH2+]1 ZINC000627088483 356580900 /nfs/dbraw/zinc/58/09/00/356580900.db2.gz IONBDHMCXBJASR-GRYCIOLGSA-N 2 0 270.377 -0.507 20 0 CBADRP CCN(CC[NH3+])C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000627091127 356581539 /nfs/dbraw/zinc/58/15/39/356581539.db2.gz IFFDGOOJECXBLY-UHFFFAOYSA-N 2 0 272.393 -0.007 20 0 CBADRP O=C(NCCC1=CC[NH2+]CC1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627090330 356581557 /nfs/dbraw/zinc/58/15/57/356581557.db2.gz SDTHJYKXPTYQBI-CYBMUJFWSA-N 2 0 282.388 -0.338 20 0 CBADRP C[NH2+]CCOCCNC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000627091940 356581666 /nfs/dbraw/zinc/58/16/66/356581666.db2.gz FPHAQFQOENJCGF-CYBMUJFWSA-N 2 0 288.392 -0.710 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@@H]1[C@H]3C[NH2+]C[C@H]31)C2 ZINC000627095168 356581976 /nfs/dbraw/zinc/58/19/76/356581976.db2.gz WMMHFFLBABHEFP-CEXDLMTGSA-N 2 0 264.373 -0.155 20 0 CBADRP C[C@@H](CCCC[NH3+])NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627093892 356582227 /nfs/dbraw/zinc/58/22/27/356582227.db2.gz VJRJIYCUROFCTR-RYUDHWBXSA-N 2 0 272.393 -0.130 20 0 CBADRP O=C(NCCC[C@H]1CCC[NH2+]1)NCC[N@H+]1CC[C@H](O)C1 ZINC000627101337 356582920 /nfs/dbraw/zinc/58/29/20/356582920.db2.gz VLZOLXZREXPQKH-OLZOCXBDSA-N 2 0 284.404 -0.116 20 0 CBADRP [NH3+]CCCOCCNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000627103432 356583253 /nfs/dbraw/zinc/58/32/53/356583253.db2.gz RYMDASGDVXWOOA-LLVKDONJSA-N 2 0 274.365 -0.971 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000627103301 356583467 /nfs/dbraw/zinc/58/34/67/356583467.db2.gz OQBJKHANRRPYKF-GHMZBOCLSA-N 2 0 258.366 -0.351 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000627103805 356583833 /nfs/dbraw/zinc/58/38/33/356583833.db2.gz WEYRHVWQRNGORT-WDEREUQCSA-N 2 0 258.366 -0.270 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000627105360 356584189 /nfs/dbraw/zinc/58/41/89/356584189.db2.gz GKSJSMNRGPLZOB-YNEHKIRRSA-N 2 0 284.404 -0.009 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000627106084 356584364 /nfs/dbraw/zinc/58/43/64/356584364.db2.gz PMFUXJCPSKCHNU-YNEHKIRRSA-N 2 0 284.404 -0.090 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000627111130 356584973 /nfs/dbraw/zinc/58/49/73/356584973.db2.gz MYZOFCNVMRPZGI-TXEJJXNPSA-N 2 0 272.393 -0.057 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000627117245 356586308 /nfs/dbraw/zinc/58/63/08/356586308.db2.gz VKXKZNHRVQUANN-UHFFFAOYSA-N 2 0 270.377 -0.384 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627126048 356587126 /nfs/dbraw/zinc/58/71/26/356587126.db2.gz ALCVFMIMBWBZDP-LLVKDONJSA-N 2 0 270.377 -0.194 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000627118873 356587236 /nfs/dbraw/zinc/58/72/36/356587236.db2.gz CUPKEIGKOXTQAH-LLVKDONJSA-N 2 0 270.377 -0.336 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000627219208 356608075 /nfs/dbraw/zinc/60/80/75/356608075.db2.gz SNULVQRVDGICIW-NEPJUHHUSA-N 2 0 270.377 -0.255 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCCOCCC[NH3+] ZINC000627218605 356608171 /nfs/dbraw/zinc/60/81/71/356608171.db2.gz AFPPBYKXBZOGHU-NSHDSACASA-N 2 0 258.366 -0.255 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000627218602 356608317 /nfs/dbraw/zinc/60/83/17/356608317.db2.gz AFBRTNNXGSVYQD-LLVKDONJSA-N 2 0 258.366 -0.125 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627218733 356608378 /nfs/dbraw/zinc/60/83/78/356608378.db2.gz FLMHENMSFKOZGR-GFCCVEGCSA-N 2 0 272.393 -0.007 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)NCCOCCC[NH3+] ZINC000627218604 356608459 /nfs/dbraw/zinc/60/84/59/356608459.db2.gz AFPPBYKXBZOGHU-LLVKDONJSA-N 2 0 258.366 -0.255 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000627218862 356608483 /nfs/dbraw/zinc/60/84/83/356608483.db2.gz JSGHCFRTOXUUOE-LLVKDONJSA-N 2 0 274.365 -0.889 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCOCCC[NH3+] ZINC000627219917 356608796 /nfs/dbraw/zinc/60/87/96/356608796.db2.gz IQZFLQFSKMDJMJ-LBPRGKRZSA-N 2 0 272.393 -0.009 20 0 CBADRP C[C@H]1CN(C(=O)NCCOCCC[NH3+])CC[C@@H]1[NH3+] ZINC000627219472 356608954 /nfs/dbraw/zinc/60/89/54/356608954.db2.gz XKWHRDZGCJXBCO-QWRGUYRKSA-N 2 0 258.366 -0.270 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000627245099 356610938 /nfs/dbraw/zinc/61/09/38/356610938.db2.gz LEUDEJWCVZWURB-GARJFASQSA-N 2 0 255.366 -0.979 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CCO1 ZINC000627244737 356611042 /nfs/dbraw/zinc/61/10/42/356611042.db2.gz GVOAHODBIZJDHU-LMLFDSFASA-N 2 0 256.350 -0.506 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000627244732 356611280 /nfs/dbraw/zinc/61/12/80/356611280.db2.gz GVBKGEVYUAHQLS-YNEHKIRRSA-N 2 0 281.404 -0.574 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)[C@@H](C)C1 ZINC000627243864 356611303 /nfs/dbraw/zinc/61/13/03/356611303.db2.gz XNXAZPOWXWPLRY-QNWHQSFQSA-N 2 0 284.404 -0.167 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627245261 356611478 /nfs/dbraw/zinc/61/14/78/356611478.db2.gz BZXKAIOVBVZAOG-WDEREUQCSA-N 2 0 258.366 -0.386 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000627177419 356595029 /nfs/dbraw/zinc/59/50/29/356595029.db2.gz HRIYOSYGQSHECR-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627185758 356597072 /nfs/dbraw/zinc/59/70/72/356597072.db2.gz LQXMUBBREGLACS-LBPRGKRZSA-N 2 0 288.392 -0.806 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000627259138 356615895 /nfs/dbraw/zinc/61/58/95/356615895.db2.gz NNMPTVDLKCZYEE-YNEHKIRRSA-N 2 0 267.373 -0.252 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2COCC[NH2+]2)C[NH2+]1 ZINC000627191839 356603602 /nfs/dbraw/zinc/60/36/02/356603602.db2.gz IJJXVXDYUIBBNU-MXWKQRLJSA-N 2 0 256.350 -0.586 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627204243 356604654 /nfs/dbraw/zinc/60/46/54/356604654.db2.gz CFJNOVKVVVXLFM-NEPJUHHUSA-N 2 0 272.393 -0.260 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)N2CCCO[C@H](C[NH3+])C2)C[NH2+]1 ZINC000627210792 356605728 /nfs/dbraw/zinc/60/57/28/356605728.db2.gz VOQXDINXYRYJLF-GRYCIOLGSA-N 2 0 270.377 -0.114 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C[NH2+]1 ZINC000627210984 356606043 /nfs/dbraw/zinc/60/60/43/356606043.db2.gz YUORTGATFPCLRQ-GHMZBOCLSA-N 2 0 268.361 -0.489 20 0 CBADRP [NH3+]CCCOCCNC(=O)NCCNc1cc[nH+]cc1 ZINC000627214171 356606966 /nfs/dbraw/zinc/60/69/66/356606966.db2.gz XRBHRRSEIRAGEW-UHFFFAOYSA-N 2 0 281.360 -0.420 20 0 CBADRP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)C1CC[NH+](C)CC1 ZINC000627353329 356631027 /nfs/dbraw/zinc/63/10/27/356631027.db2.gz ZDBFGLWHKALUHF-GMXVVIOVSA-N 2 0 296.415 -0.301 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000627357636 356631478 /nfs/dbraw/zinc/63/14/78/356631478.db2.gz LMCDVSNDTPCORH-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000627354945 356631783 /nfs/dbraw/zinc/63/17/83/356631783.db2.gz SEBGMPFFSZRPLX-YHWZYXNKSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)C1CC1 ZINC000627365407 356633331 /nfs/dbraw/zinc/63/33/31/356633331.db2.gz NWLPAHHAHBCSAB-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)CC1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627366360 356633430 /nfs/dbraw/zinc/63/34/30/356633430.db2.gz PVWGOHXLLFRRTQ-WXRRBKDZSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000627378675 356635037 /nfs/dbraw/zinc/63/50/37/356635037.db2.gz QWMOLVANNMJNOU-UMSGYPCISA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C1=CC[N@H+](C)CC1 ZINC000627376408 356635186 /nfs/dbraw/zinc/63/51/86/356635186.db2.gz ARZVQZJFTMOBER-CMPLNLGQSA-N 2 0 280.372 -0.769 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627291559 356620923 /nfs/dbraw/zinc/62/09/23/356620923.db2.gz XRMJLMPBSMIKFE-WCQYABFASA-N 2 0 296.415 -0.158 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC000627293579 356621010 /nfs/dbraw/zinc/62/10/10/356621010.db2.gz WYUZLRLPDUKINP-QWHCGFSZSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627293323 356621021 /nfs/dbraw/zinc/62/10/21/356621021.db2.gz QEWVEECMSVHPST-CMPLNLGQSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[NH2+]1 ZINC000627304764 356622590 /nfs/dbraw/zinc/62/25/90/356622590.db2.gz DZEJIAVPZJILGW-XQHKEYJVSA-N 2 0 296.415 -0.158 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000627307385 356623270 /nfs/dbraw/zinc/62/32/70/356623270.db2.gz IUUVRAWLAMUDRN-WCQYABFASA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627325947 356626891 /nfs/dbraw/zinc/62/68/91/356626891.db2.gz ZHQZNMPVMRWVCJ-GRYCIOLGSA-N 2 0 284.404 -0.301 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000627428962 356645202 /nfs/dbraw/zinc/64/52/02/356645202.db2.gz TWGPGXVXDZJOKC-AVGNSLFASA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000627457148 356649284 /nfs/dbraw/zinc/64/92/84/356649284.db2.gz LYKXHLBGDMHRSO-GRYCIOLGSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000627385443 356636163 /nfs/dbraw/zinc/63/61/63/356636163.db2.gz LEWWZWLRLFRIPV-WCQYABFASA-N 2 0 296.415 -0.156 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000627378971 356636339 /nfs/dbraw/zinc/63/63/39/356636339.db2.gz ZHRBWTVMSQSPEM-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627504771 356660511 /nfs/dbraw/zinc/66/05/11/356660511.db2.gz GCJBYFRCIMIXIQ-VXGBXAGGSA-N 2 0 282.388 -0.547 20 0 CBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627505997 356660829 /nfs/dbraw/zinc/66/08/29/356660829.db2.gz SUBMGMAXRFXPMC-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000627505379 356660841 /nfs/dbraw/zinc/66/08/41/356660841.db2.gz LJUNWYRFDXEUEU-XQQFMLRXSA-N 2 0 294.399 -0.593 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627507514 356661655 /nfs/dbraw/zinc/66/16/55/356661655.db2.gz WEIXUFZCDUCGMY-GHMZBOCLSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627478476 356653920 /nfs/dbraw/zinc/65/39/20/356653920.db2.gz NKKLEVUOPMKCTN-FRRDWIJNSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)C[NH2+]1 ZINC000627482089 356654561 /nfs/dbraw/zinc/65/45/61/356654561.db2.gz METZRZAINNTXBS-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000627503459 356659654 /nfs/dbraw/zinc/65/96/54/356659654.db2.gz NJSDCRKEELQFQV-SDDRHHMPSA-N 2 0 296.415 -0.158 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627504266 356660093 /nfs/dbraw/zinc/66/00/93/356660093.db2.gz FYGOPRUOYFEYIN-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)C[C@H]21 ZINC000627653366 356667435 /nfs/dbraw/zinc/66/74/35/356667435.db2.gz MPRMKSRZIXNXKZ-RQJABVFESA-N 2 0 278.400 -0.605 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000423509641 283216975 /nfs/dbraw/zinc/21/69/75/283216975.db2.gz LRIBTZXQCKSNSJ-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000629572542 356781198 /nfs/dbraw/zinc/78/11/98/356781198.db2.gz WMWOJJIQFUZZJF-CYBMUJFWSA-N 2 0 259.394 -0.125 20 0 CBADRP C[NH+](C)Cc1ccc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cn1 ZINC000629166761 356750042 /nfs/dbraw/zinc/75/00/42/356750042.db2.gz CTBLUJZAXHTUGO-CQSZACIVSA-N 2 0 292.383 -0.060 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000629512183 356775811 /nfs/dbraw/zinc/77/58/11/356775811.db2.gz BKLNIQPWLYAJDQ-TUAOUCFPSA-N 2 0 254.378 -0.204 20 0 CBADRP C[C@@]1(CNCc2cn([C@H]3CC[NH2+]C3)nn2)CC[NH2+]C1 ZINC000629668390 356788689 /nfs/dbraw/zinc/78/86/89/356788689.db2.gz UAZKXKNWXHVXJU-QWHCGFSZSA-N 2 0 264.377 -0.098 20 0 CBADRP C[C@]1(CNCc2cn([C@@H]3CC[NH2+]C3)nn2)CC[NH2+]C1 ZINC000629668388 356788981 /nfs/dbraw/zinc/78/89/81/356788981.db2.gz UAZKXKNWXHVXJU-OLZOCXBDSA-N 2 0 264.377 -0.098 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000629653101 356789335 /nfs/dbraw/zinc/78/93/35/356789335.db2.gz NBKFQMJAETVFQE-WCBMZHEXSA-N 2 0 251.334 -0.272 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629787749 356792398 /nfs/dbraw/zinc/79/23/98/356792398.db2.gz HKQCGDQALXCBFF-GASCZTMLSA-N 2 0 296.415 -0.536 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000629788474 356792562 /nfs/dbraw/zinc/79/25/62/356792562.db2.gz PYOQFZMZLSVGLL-UHFFFAOYSA-N 2 0 258.366 -0.796 20 0 CBADRP C[N@H+](CC(=O)NCC[NH+]1CC[C@H](O)C1)[C@H]1CCSC1 ZINC000629914893 356806955 /nfs/dbraw/zinc/80/69/55/356806955.db2.gz LLWWJOFYMKRQSU-RYUDHWBXSA-N 2 0 287.429 -0.394 20 0 CBADRP O=S1(=O)CCC[C@@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000630343680 356835432 /nfs/dbraw/zinc/83/54/32/356835432.db2.gz JBFRGTJRPNFJFJ-LLVKDONJSA-N 2 0 261.391 -0.942 20 0 CBADRP C[N@H+](CC(=O)NC[C@]1(O)CC[NH+](C)C1)C1CCC1 ZINC000629981681 356813035 /nfs/dbraw/zinc/81/30/35/356813035.db2.gz NZNBXUHCSDGGNT-CYBMUJFWSA-N 2 0 255.362 -0.347 20 0 CBADRP C[N@H+](CC(=O)NC[C@@]1(O)CC[NH+](C)C1)C1CCC1 ZINC000629981683 356813229 /nfs/dbraw/zinc/81/32/29/356813229.db2.gz NZNBXUHCSDGGNT-ZDUSSCGKSA-N 2 0 255.362 -0.347 20 0 CBADRP C[N@H+](CC(=O)NCC[NH+]1CC[C@H](O)C1)C1CCC1 ZINC000630029178 356819828 /nfs/dbraw/zinc/81/98/28/356819828.db2.gz NQYMSOBBQLWWEC-LBPRGKRZSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)CCOCC[NH3+] ZINC000629575493 356781523 /nfs/dbraw/zinc/78/15/23/356781523.db2.gz OAFLTQSRGKGYAW-VXGBXAGGSA-N 2 0 273.377 -0.423 20 0 CBADRP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)CCOCC[NH3+] ZINC000629575484 356781830 /nfs/dbraw/zinc/78/18/30/356781830.db2.gz OAFLTQSRGKGYAW-NEPJUHHUSA-N 2 0 273.377 -0.423 20 0 CBADRP O[C@@H](CNCCC[NH+]1CCC(O)CC1)C[NH+]1CCCC1 ZINC000629582389 356782356 /nfs/dbraw/zinc/78/23/56/356782356.db2.gz BMYDJXUIZLLODP-HNNXBMFYSA-N 2 0 285.432 -0.121 20 0 CBADRP O=C1CCC[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)N1 ZINC000629579431 356782518 /nfs/dbraw/zinc/78/25/18/356782518.db2.gz NHHVMZYKXJMGMB-NEPJUHHUSA-N 2 0 255.362 -0.299 20 0 CBADRP COC[C@](C)(O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629579542 356782932 /nfs/dbraw/zinc/78/29/32/356782932.db2.gz GMOVUSSZTVFZHP-CHWSQXEVSA-N 2 0 260.378 -0.180 20 0 CBADRP O[C@@H](C[NH2+][C@@H]1CCc2nnnn2CC1)C[NH+]1CCCC1 ZINC000629579235 356783057 /nfs/dbraw/zinc/78/30/57/356783057.db2.gz CHRMXZKSRMFFRY-NEPJUHHUSA-N 2 0 280.376 -0.576 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000629592344 356783969 /nfs/dbraw/zinc/78/39/69/356783969.db2.gz ANYGKDLQZNZCNE-GASCZTMLSA-N 3 0 280.416 -0.260 20 0 CBADRP OCC[C@@]1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CCOC1 ZINC000629583742 356784322 /nfs/dbraw/zinc/78/43/22/356784322.db2.gz DNUHQFDLDMDPHQ-KGLIPLIRSA-N 2 0 272.389 -0.178 20 0 CBADRP OCC1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CCOCC1 ZINC000629583622 356784327 /nfs/dbraw/zinc/78/43/27/356784327.db2.gz GKNMJUGJNBPNBQ-CYBMUJFWSA-N 2 0 272.389 -0.178 20 0 CBADRP Cn1cc(C[C@H](CO)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cn1 ZINC000629593760 356784732 /nfs/dbraw/zinc/78/47/32/356784732.db2.gz JSBAWNVZTKQLGT-LSDHHAIUSA-N 2 0 296.415 -0.383 20 0 CBADRP OC[C@@H](C[NH+]1CCCCC1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000629596026 356785203 /nfs/dbraw/zinc/78/52/03/356785203.db2.gz QADQRNGGCSXGER-HUUCEWRRSA-N 2 0 285.432 -0.121 20 0 CBADRP CC[C@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)[NH+](C)C ZINC000629611929 356786971 /nfs/dbraw/zinc/78/69/71/356786971.db2.gz KOQAUEABKWZPDD-SECBINFHSA-N 2 0 281.364 -0.507 20 0 CBADRP CO[C@H]1CN(S(=O)(=O)CCC[NH+](C)C)[C@](C)(C[NH3+])C1 ZINC000630369253 356839642 /nfs/dbraw/zinc/83/96/42/356839642.db2.gz WEWMQBAVIBLYEB-NEPJUHHUSA-N 2 0 293.433 -0.294 20 0 CBADRP C[NH+]1CCN(Cc2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000630604727 356854547 /nfs/dbraw/zinc/85/45/47/356854547.db2.gz VGYSWMXRTDLQBA-GFCCVEGCSA-N 2 0 264.377 -0.223 20 0 CBADRP c1c(C[C@@H]2CCC[NH2+]C2)nnn1C[C@H]1C[NH2+]CCO1 ZINC000630616303 356855119 /nfs/dbraw/zinc/85/51/19/356855119.db2.gz IDKWQYMSMOSRGX-WCQYABFASA-N 2 0 265.361 -0.191 20 0 CBADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000631840625 356910865 /nfs/dbraw/zinc/91/08/65/356910865.db2.gz DEKCJWCZNOYOCB-MBNYWOFBSA-N 2 0 296.415 -0.408 20 0 CBADRP C[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1C[NH3+] ZINC000631840178 356910922 /nfs/dbraw/zinc/91/09/22/356910922.db2.gz QNURUDUEXNJESN-GHMZBOCLSA-N 2 0 263.407 -0.206 20 0 CBADRP O=C(CCN1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC000631890989 356916103 /nfs/dbraw/zinc/91/61/03/356916103.db2.gz WTBALMHBDJMKMP-KGLIPLIRSA-N 2 0 280.416 -0.118 20 0 CBADRP C(CN1CCC[C@H]2C[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC000631891028 356916149 /nfs/dbraw/zinc/91/61/49/356916149.db2.gz XKZQHBNOWIIGMQ-KBPBESRZSA-N 2 0 252.406 -0.035 20 0 CBADRP O=C(CCN1CCC[C@H]2C[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC000631890991 356916670 /nfs/dbraw/zinc/91/66/70/356916670.db2.gz WTBALMHBDJMKMP-UONOGXRCSA-N 2 0 280.416 -0.118 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@@H]([NH3+])C1 ZINC000631899942 356917341 /nfs/dbraw/zinc/91/73/41/356917341.db2.gz CZKKQOWPFFNUNO-SNVBAGLBSA-N 2 0 276.406 -0.662 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NCC1CC[NH2+]CC1 ZINC000631900523 356917503 /nfs/dbraw/zinc/91/75/03/356917503.db2.gz CZVJLLHEVFFWDB-UHFFFAOYSA-N 2 0 263.407 -0.143 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000631901364 356918182 /nfs/dbraw/zinc/91/81/82/356918182.db2.gz AFAZPFPCIRINOK-LLVKDONJSA-N 2 0 263.407 -0.143 20 0 CBADRP C[NH2+]C[C@H]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631901125 356918346 /nfs/dbraw/zinc/91/83/46/356918346.db2.gz RPCCQVURBQDKAG-VXGBXAGGSA-N 2 0 291.417 -0.764 20 0 CBADRP CC(C)[NH2+]CCCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631903492 356919509 /nfs/dbraw/zinc/91/95/09/356919509.db2.gz KGCOEIJEOMHKLA-NSHDSACASA-N 2 0 279.406 -0.718 20 0 CBADRP [NH3+]CC1(NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000631904322 356919989 /nfs/dbraw/zinc/91/99/89/356919989.db2.gz KRHHSNLGWGWLPT-JTQLQIEISA-N 2 0 277.390 -0.834 20 0 CBADRP C[C@@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)[C@H]1C[NH3+] ZINC000631905504 356920459 /nfs/dbraw/zinc/92/04/59/356920459.db2.gz OPSLJRXITVYARD-WOPDTQHZSA-N 2 0 291.417 -0.636 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631904974 356920760 /nfs/dbraw/zinc/92/07/60/356920760.db2.gz CPBQQSMXJAQXER-QJPTWQEYSA-N 2 0 291.417 -0.636 20 0 CBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000631908648 356922146 /nfs/dbraw/zinc/92/21/46/356922146.db2.gz WBEXOLNQAVFUIZ-NWDGAFQWSA-N 2 0 289.401 -0.869 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000631931550 356925324 /nfs/dbraw/zinc/92/53/24/356925324.db2.gz KZWDVPCDVDCIRC-NWDGAFQWSA-N 2 0 275.418 -0.048 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000631931551 356925438 /nfs/dbraw/zinc/92/54/38/356925438.db2.gz KZWDVPCDVDCIRC-RYUDHWBXSA-N 2 0 275.418 -0.048 20 0 CBADRP C[NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000631933574 356926251 /nfs/dbraw/zinc/92/62/51/356926251.db2.gz GWPNNUHNZJEDLG-LLVKDONJSA-N 2 0 290.433 -0.401 20 0 CBADRP C[C@@]1(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000631934594 356927250 /nfs/dbraw/zinc/92/72/50/356927250.db2.gz FQJXHHPDXYENEG-NWDGAFQWSA-N 2 0 291.417 -0.716 20 0 CBADRP C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631937104 356927943 /nfs/dbraw/zinc/92/79/43/356927943.db2.gz BPKXULBHNRSVSG-ONGXEEELSA-N 2 0 276.406 -0.664 20 0 CBADRP [NH3+]CC[C@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631936204 356928007 /nfs/dbraw/zinc/92/80/07/356928007.db2.gz WXHZHVAMXKHKEW-NEPJUHHUSA-N 2 0 291.417 -0.635 20 0 CBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCCC[C@H]1CCC[NH2+]1 ZINC000631940863 356929747 /nfs/dbraw/zinc/92/97/47/356929747.db2.gz IFRUWSWLSXSRCF-VXGBXAGGSA-N 2 0 291.417 -0.574 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000631945191 356930956 /nfs/dbraw/zinc/93/09/56/356930956.db2.gz QWYKIIAUDAKPHM-LLVKDONJSA-N 2 0 279.406 -0.683 20 0 CBADRP [NH3+]Cc1ccc(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000631948055 356931169 /nfs/dbraw/zinc/93/11/69/356931169.db2.gz VDVYTECRHQAIKS-CYBMUJFWSA-N 2 0 299.396 -0.447 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631947177 356931234 /nfs/dbraw/zinc/93/12/34/356931234.db2.gz WEJQQYGNWWAHSL-GMTAPVOTSA-N 2 0 277.390 -0.836 20 0 CBADRP [NH3+]CC1(CCNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631948151 356931268 /nfs/dbraw/zinc/93/12/68/356931268.db2.gz XVZJNKDPYLSLHJ-JTQLQIEISA-N 2 0 277.390 -0.977 20 0 CBADRP CCO[C@@H]1CN(S(=O)(=O)CCC[NH+](C)C)C[C@H]1C[NH3+] ZINC000631948050 356931286 /nfs/dbraw/zinc/93/12/86/356931286.db2.gz UZHHQXIBKHQFEU-VXGBXAGGSA-N 2 0 293.433 -0.437 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631947178 356931403 /nfs/dbraw/zinc/93/14/03/356931403.db2.gz WEJQQYGNWWAHSL-HBNTYKKESA-N 2 0 277.390 -0.836 20 0 CBADRP C[C@@H](CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[NH+](C)C ZINC000631950332 356932085 /nfs/dbraw/zinc/93/20/85/356932085.db2.gz GFODNLSSZZHKGE-QWRGUYRKSA-N 2 0 279.406 -0.766 20 0 CBADRP C[NH2+]C[C@H](C)NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631952607 356933114 /nfs/dbraw/zinc/93/31/14/356933114.db2.gz NISHOGOBXZEJIG-VIFPVBQESA-N 2 0 264.395 -0.888 20 0 CBADRP CC(C)[C@H]([NH3+])CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631952744 356933167 /nfs/dbraw/zinc/93/31/67/356933167.db2.gz RXICHPHENJATPA-GHMZBOCLSA-N 2 0 279.406 -0.732 20 0 CBADRP [NH3+]CCCOCCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631955410 356934885 /nfs/dbraw/zinc/93/48/85/356934885.db2.gz JQVLVVZFXRGQOK-UHFFFAOYSA-N 2 0 293.433 -0.243 20 0 CBADRP CC1(OCC(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)C[NH2+]C1 ZINC000632862681 357028905 /nfs/dbraw/zinc/02/89/05/357028905.db2.gz UOLRNTYMBIRZDT-NWDGAFQWSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632878304 357029924 /nfs/dbraw/zinc/02/99/24/357029924.db2.gz OUZSTXYOGZYSOF-WCQYABFASA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632878303 357029988 /nfs/dbraw/zinc/02/99/88/357029988.db2.gz OUZSTXYOGZYSOF-DGCLKSJQSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633078156 357041039 /nfs/dbraw/zinc/04/10/39/357041039.db2.gz IAJCXBUHIBJVCR-XQQFMLRXSA-N 2 0 294.399 -0.498 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000633086602 357041443 /nfs/dbraw/zinc/04/14/43/357041443.db2.gz XWVIBFQTVXHCDD-CHWSQXEVSA-N 2 0 296.415 -0.406 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633089673 357042555 /nfs/dbraw/zinc/04/25/55/357042555.db2.gz ZYVVSTOLAJJVOT-SRVKXCTJSA-N 2 0 280.372 -0.888 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633095597 357044672 /nfs/dbraw/zinc/04/46/72/357044672.db2.gz XLGHTZLCOAMJGT-MROQNXINSA-N 2 0 294.399 -0.642 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633103545 357046308 /nfs/dbraw/zinc/04/63/08/357046308.db2.gz PZCLUACPUKGMOF-AVGNSLFASA-N 2 0 294.399 -0.500 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000633116121 357049745 /nfs/dbraw/zinc/04/97/45/357049745.db2.gz PFSBXIBAOJFHTC-GRYCIOLGSA-N 2 0 282.388 -0.513 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000633117998 357050113 /nfs/dbraw/zinc/05/01/13/357050113.db2.gz HEBFYGFMVRZXEQ-WRWGMCAJSA-N 2 0 280.372 -0.903 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000633116746 357050371 /nfs/dbraw/zinc/05/03/71/357050371.db2.gz WZWLINKEKLXDTQ-JHJVBQTASA-N 2 0 294.399 -0.369 20 0 CBADRP COC1(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC[NH2+]CC1 ZINC000634275975 357114669 /nfs/dbraw/zinc/11/46/69/357114669.db2.gz RMBIGZFGTFVGST-MNOVXSKESA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C[NH+]1CCCC1 ZINC000419823625 295941304 /nfs/dbraw/zinc/94/13/04/295941304.db2.gz MDPVEDGTRGZHBB-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CN1CC[NH2+]CC1)C2 ZINC000634740635 357131560 /nfs/dbraw/zinc/13/15/60/357131560.db2.gz CULDCPFTVNKPDH-OKILXGFUSA-N 2 0 266.389 -0.650 20 0 CBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000634761486 357133295 /nfs/dbraw/zinc/13/32/95/357133295.db2.gz CFMWMIUOMBXKNZ-RYUDHWBXSA-N 2 0 296.415 -0.251 20 0 CBADRP O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@@H]1C[NH2+]CCOC1 ZINC000634769172 357134293 /nfs/dbraw/zinc/13/42/93/357134293.db2.gz ORQNPPGTABMZSH-WZRBSPASSA-N 2 0 253.346 -0.519 20 0 CBADRP C[C@]12C[NH+](CC3CC[NH2+]CC3)C[C@]1(C)C(=O)NC2=O ZINC000634999141 357142604 /nfs/dbraw/zinc/14/26/04/357142604.db2.gz QNXJFXOXNQZJTG-ZIAGYGMSSA-N 2 0 265.357 -0.029 20 0 CBADRP CC[C@H](CNC(=O)[C@@H](C)[NH+](C)C)NC(=O)[C@@H](C)[NH+](C)C ZINC000635499549 357168786 /nfs/dbraw/zinc/16/87/86/357168786.db2.gz GHMUZMFAOABUMO-IJLUTSLNSA-N 2 0 286.420 -0.102 20 0 CBADRP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2C[C@@H]3COC[C@@H]3C2)C1=O ZINC000634533721 357123060 /nfs/dbraw/zinc/12/30/60/357123060.db2.gz NRBPZZGKCRHERX-XQQFMLRXSA-N 2 0 295.383 -0.356 20 0 CBADRP C[NH2+]C[C@@H](O)CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719887 357129217 /nfs/dbraw/zinc/12/92/17/357129217.db2.gz AXNGGKZWSARGQH-HZPDHXFCSA-N 2 0 293.411 -0.207 20 0 CBADRP CCC[C@@H](CCO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000634724493 357129883 /nfs/dbraw/zinc/12/98/83/357129883.db2.gz RHZKEOPMMOPVDE-UONOGXRCSA-N 2 0 273.421 -0.265 20 0 CBADRP CCC[C@H](CCO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000634724492 357129898 /nfs/dbraw/zinc/12/98/98/357129898.db2.gz RHZKEOPMMOPVDE-KGLIPLIRSA-N 2 0 273.421 -0.265 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000634733897 357130924 /nfs/dbraw/zinc/13/09/24/357130924.db2.gz QSXXSZQSYGFLJZ-GUTXKFCHSA-N 3 0 280.416 -0.085 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635728443 357197490 /nfs/dbraw/zinc/19/74/90/357197490.db2.gz XRZFJLLYUSLBAP-DGCLKSJQSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000635747819 357200506 /nfs/dbraw/zinc/20/05/06/357200506.db2.gz YAGLSRQRAHLXLU-VXGBXAGGSA-N 2 0 286.420 -0.197 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635802305 357209644 /nfs/dbraw/zinc/20/96/44/357209644.db2.gz SHNKMBYMTQKSRQ-OAHLLOKOSA-N 2 0 299.415 -0.472 20 0 CBADRP C[NH+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000635801219 357210076 /nfs/dbraw/zinc/21/00/76/357210076.db2.gz HHLNZCGMWCJLMR-DGCLKSJQSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)C[NH+]1CCCC1 ZINC000419816428 295942721 /nfs/dbraw/zinc/94/27/21/295942721.db2.gz IDDZBBJYCVUKEL-STQMWFEESA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H](C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000635928455 357235815 /nfs/dbraw/zinc/23/58/15/357235815.db2.gz GPFUKRFWVZOCBB-GRYCIOLGSA-N 2 0 255.362 -0.396 20 0 CBADRP C[NH+](C)C[C@@H](CO)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635928589 357236133 /nfs/dbraw/zinc/23/61/33/357236133.db2.gz JKFDEAZJSNJUEN-LBPRGKRZSA-N 2 0 287.404 -0.617 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC000635548430 357175863 /nfs/dbraw/zinc/17/58/63/357175863.db2.gz QXTCKDJEMWISMW-LBPRGKRZSA-N 2 0 268.405 -0.310 20 0 CBADRP C[C@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)[NH+](C)C ZINC000635557953 357176782 /nfs/dbraw/zinc/17/67/82/357176782.db2.gz DZCDZXQUADUQLD-GFCCVEGCSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000636844693 357306777 /nfs/dbraw/zinc/30/67/77/357306777.db2.gz KYQFEQASYFSJQW-FRRDWIJNSA-N 2 0 284.404 -0.165 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC000635999577 357247756 /nfs/dbraw/zinc/24/77/56/357247756.db2.gz MGVZGMGQRWWBSI-UHFFFAOYSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000636287645 357276809 /nfs/dbraw/zinc/27/68/09/357276809.db2.gz KORUXUYCCISLCK-NWDGAFQWSA-N 2 0 255.362 -0.489 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000637812900 357369692 /nfs/dbraw/zinc/36/96/92/357369692.db2.gz ZQHRSMYJVKAULA-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H](NC(=O)CN1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000637821061 357370270 /nfs/dbraw/zinc/37/02/70/357370270.db2.gz RTXUVXVITFUOBS-VXGBXAGGSA-N 2 0 254.378 -0.604 20 0 CBADRP C[C@@H](NC(=O)CN1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000637820958 357370875 /nfs/dbraw/zinc/37/08/75/357370875.db2.gz RTXUVXVITFUOBS-NEPJUHHUSA-N 2 0 254.378 -0.604 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N1CC[NH2+]C[C@H]1C ZINC000637816821 357371076 /nfs/dbraw/zinc/37/10/76/357371076.db2.gz LIDWEAPCHVRQRM-CYBMUJFWSA-N 2 0 287.404 -0.208 20 0 CBADRP C[C@H](NC(=O)[C@@]1(C)C[NH2+]CCO1)[C@H]1CCC[NH2+]C1 ZINC000637822276 357371479 /nfs/dbraw/zinc/37/14/79/357371479.db2.gz YUFQCIYOFLYSCC-GMXVVIOVSA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)C1 ZINC000637823352 357371786 /nfs/dbraw/zinc/37/17/86/357371786.db2.gz RKJVSDONNNOYLM-NQBHXWOUSA-N 2 0 255.362 -0.036 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000637825624 357371863 /nfs/dbraw/zinc/37/18/63/357371863.db2.gz WVQBMTNNMPAXQM-AAEUAGOBSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000637830094 357372217 /nfs/dbraw/zinc/37/22/17/357372217.db2.gz RDEGJMXUVIXENI-GXFFZTMASA-N 2 0 255.362 -0.049 20 0 CBADRP CN(C(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH2+]C1 ZINC000637837325 357373677 /nfs/dbraw/zinc/37/36/77/357373677.db2.gz DIBHPZLUNYKSQP-TUAOUCFPSA-N 2 0 253.346 -0.330 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N(C)CCN2CC[NH2+]CC2)C1 ZINC000637833439 357373797 /nfs/dbraw/zinc/37/37/97/357373797.db2.gz RQQQKVYDFDRZIC-OCCSQVGLSA-N 2 0 284.404 -0.883 20 0 CBADRP C[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000354700565 295944960 /nfs/dbraw/zinc/94/49/60/295944960.db2.gz WYIUIMRODNYGPP-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000636923886 357312494 /nfs/dbraw/zinc/31/24/94/357312494.db2.gz ZUEWBNAACWXYMG-MRVWCRGKSA-N 2 0 296.415 -0.165 20 0 CBADRP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000637838406 357374548 /nfs/dbraw/zinc/37/45/48/357374548.db2.gz WJGXCUWZKQEFSW-GFCCVEGCSA-N 2 0 265.361 -0.121 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N[C@H]1Cc2cncn2C1 ZINC000637078574 357321488 /nfs/dbraw/zinc/32/14/88/357321488.db2.gz GKYURBLRJYXLFF-NSHDSACASA-N 2 0 281.360 -0.315 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]2(C[NH3+])CCCOC2)C[C@H](C)[NH2+]1 ZINC000637841145 357375509 /nfs/dbraw/zinc/37/55/09/357375509.db2.gz RAYPTJMQRPQSNB-LOWVWBTDSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC[C@H]1[NH3+] ZINC000637844547 357376149 /nfs/dbraw/zinc/37/61/49/357376149.db2.gz ISMBHTSVWLGYRP-NQBHXWOUSA-N 2 0 255.362 -0.062 20 0 CBADRP C[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC000637848543 357376164 /nfs/dbraw/zinc/37/61/64/357376164.db2.gz UBRTZIJTXCFRAV-NEPJUHHUSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[NH2+]C2CC2)[C@H](C)C1 ZINC000637316935 357339471 /nfs/dbraw/zinc/33/94/71/357339471.db2.gz JGCLFKQWLHEUPB-NEPJUHHUSA-N 2 0 284.404 -0.165 20 0 CBADRP O=C(NCC[NH2+]C1CC1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000637347601 357339587 /nfs/dbraw/zinc/33/95/87/357339587.db2.gz IAYYQVPSHKIQNJ-ZDUSSCGKSA-N 2 0 284.404 -0.116 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCC1 ZINC000637376028 357340755 /nfs/dbraw/zinc/34/07/55/357340755.db2.gz YHGNOVKFPMZHBD-LBPRGKRZSA-N 2 0 297.403 -0.669 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000637850938 357377243 /nfs/dbraw/zinc/37/72/43/357377243.db2.gz MAGAINHOPNAODX-ZPFDUUQYSA-N 2 0 255.362 -0.003 20 0 CBADRP C[NH+](C)CCn1c2cc(C(=O)NCC[NH3+])ccc2[nH]c1=O ZINC000637798292 357365143 /nfs/dbraw/zinc/36/51/43/357365143.db2.gz VOPPKNIOUHKRTF-UHFFFAOYSA-N 2 0 291.355 -0.008 20 0 CBADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[NH2+]CC1 ZINC000637800389 357365363 /nfs/dbraw/zinc/36/53/63/357365363.db2.gz DIZKCOIYAXRHMS-AWEZNQCLSA-N 2 0 276.384 -0.123 20 0 CBADRP C[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000637805029 357366637 /nfs/dbraw/zinc/36/66/37/357366637.db2.gz DASLFXHOWIETFG-UHFFFAOYSA-N 2 0 253.350 -0.216 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000637805276 357367695 /nfs/dbraw/zinc/36/76/95/357367695.db2.gz XJMSTILIIKWBQO-WCQYABFASA-N 2 0 255.362 -0.049 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC2CC[NH2+]CC2)C1 ZINC000637805347 357367828 /nfs/dbraw/zinc/36/78/28/357367828.db2.gz LBDTYUGAHWOTLF-WCQYABFASA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CN1CC[NH2+]CC1 ZINC000637806395 357368016 /nfs/dbraw/zinc/36/80/16/357368016.db2.gz RVBTTWBCXJVUBM-NWDGAFQWSA-N 2 0 254.378 -0.380 20 0 CBADRP CC(C)CC[C@@H]([NH3+])C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000637809633 357368035 /nfs/dbraw/zinc/36/80/35/357368035.db2.gz DCEUCBMFLMCCKF-GFCCVEGCSA-N 2 0 284.404 -0.360 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000637810416 357368695 /nfs/dbraw/zinc/36/86/95/357368695.db2.gz DLXJDYTYBNCCDJ-LBPRGKRZSA-N 2 0 254.378 -0.650 20 0 CBADRP C[N@H+](CC(=O)NCCN1CC[NH2+]CC1)CC(C)(C)C ZINC000637810048 357368748 /nfs/dbraw/zinc/36/87/48/357368748.db2.gz BKPZMKLLNZBPTC-UHFFFAOYSA-N 2 0 270.421 -0.014 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000638234602 357441156 /nfs/dbraw/zinc/44/11/56/357441156.db2.gz OIHDINUTIILZJC-MDZLAQPJSA-N 2 0 253.346 -0.295 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000638236289 357441453 /nfs/dbraw/zinc/44/14/53/357441453.db2.gz AUSMTSVZUUFUSC-VNHYZAJKSA-N 2 0 296.415 -0.741 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000638236954 357441466 /nfs/dbraw/zinc/44/14/66/357441466.db2.gz MMVXMERAPIZRGL-NWDGAFQWSA-N 2 0 254.378 -0.510 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000638248415 357443992 /nfs/dbraw/zinc/44/39/92/357443992.db2.gz SHMZKCXWUHJNGN-NEPJUHHUSA-N 2 0 252.362 -0.898 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000638243032 357441895 /nfs/dbraw/zinc/44/18/95/357441895.db2.gz JQKLFJTYOBKZIN-GCHJQGSQSA-N 2 0 251.330 -0.816 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC2CC[NH+](C)CC2)C1 ZINC000638049882 357406045 /nfs/dbraw/zinc/40/60/45/357406045.db2.gz HVMGNTDPXYCLCL-AAEUAGOBSA-N 2 0 255.362 -0.036 20 0 CBADRP C[NH+]1CCC(NC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638050973 357406748 /nfs/dbraw/zinc/40/67/48/357406748.db2.gz WLMRXZMTXAAOKZ-ZDUSSCGKSA-N 2 0 255.362 -0.048 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000638067500 357408474 /nfs/dbraw/zinc/40/84/74/357408474.db2.gz RITVDMYHVXGADG-DZGCQCFKSA-N 2 0 299.415 -0.018 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CCSC1 ZINC000638070088 357410119 /nfs/dbraw/zinc/41/01/19/357410119.db2.gz WVMDCBBUUCVVOP-UMNHJUIQSA-N 2 0 273.402 -0.344 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638071667 357411274 /nfs/dbraw/zinc/41/12/74/357411274.db2.gz HDVNZHPQXFVIQC-YPMHNXCESA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)C1CC1 ZINC000638075713 357411323 /nfs/dbraw/zinc/41/13/23/357411323.db2.gz HCJBOLDTCAFTPX-YPMHNXCESA-N 2 0 255.362 -0.179 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000638077366 357412605 /nfs/dbraw/zinc/41/26/05/357412605.db2.gz RRFNEXPLKSGVJO-NTZNESFSSA-N 2 0 255.362 -0.036 20 0 CBADRP COCC[NH+]1CCC(NC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638077866 357412608 /nfs/dbraw/zinc/41/26/08/357412608.db2.gz CCPKRPOWQPQDNV-UHFFFAOYSA-N 2 0 284.404 -0.881 20 0 CBADRP CC[NH2+][C@H](C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000638090469 357414682 /nfs/dbraw/zinc/41/46/82/357414682.db2.gz XLKQVVWLDAVESF-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638101830 357417195 /nfs/dbraw/zinc/41/71/95/357417195.db2.gz RETJVVIQMZDXJQ-RYUDHWBXSA-N 2 0 253.346 -0.129 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638100127 357417234 /nfs/dbraw/zinc/41/72/34/357417234.db2.gz OZJSMKHNKRAHQF-TZMCWYRMSA-N 2 0 285.388 -0.408 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(COC)CCCC[NH2+]2)C1 ZINC000638100836 357417287 /nfs/dbraw/zinc/41/72/87/357417287.db2.gz MWVVRTAAABDXAX-HIFRSBDPSA-N 2 0 299.415 -0.018 20 0 CBADRP C[C@@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)[N@H+](C)C1CC1 ZINC000638102675 357418608 /nfs/dbraw/zinc/41/86/08/357418608.db2.gz VMUWLAXECJUINP-GXFFZTMASA-N 2 0 255.362 -0.036 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000638112904 357420942 /nfs/dbraw/zinc/42/09/42/357420942.db2.gz WUJGGOVCLNCHII-OCCSQVGLSA-N 2 0 299.415 -0.020 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@]2(C)C[NH2+]CCO2)CC[N@@H+]1C ZINC000638116148 357421122 /nfs/dbraw/zinc/42/11/22/357421122.db2.gz XLJZPSUKHRBTSE-MDZLAQPJSA-N 2 0 255.362 -0.036 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638124166 357422139 /nfs/dbraw/zinc/42/21/39/357422139.db2.gz SIYUYXCVQBZPKH-ZDUSSCGKSA-N 2 0 273.377 -0.551 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638137348 357423612 /nfs/dbraw/zinc/42/36/12/357423612.db2.gz IWPOLAJQYKSCQC-CQSZACIVSA-N 2 0 297.447 -0.966 20 0 CBADRP C[C@@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)C[NH+]1CCN(C)CC1 ZINC000638137520 357423644 /nfs/dbraw/zinc/42/36/44/357423644.db2.gz KLJWKUXEROIEGU-ZFWWWQNUSA-N 2 0 298.431 -0.635 20 0 CBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638136825 357424396 /nfs/dbraw/zinc/42/43/96/357424396.db2.gz BNJFVHAUEHVUGM-HZSPNIEDSA-N 2 0 298.431 -0.508 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000638132940 357424439 /nfs/dbraw/zinc/42/44/39/357424439.db2.gz XVMGHGPUQXRJNK-ZDUSSCGKSA-N 2 0 268.405 -0.308 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638137786 357424479 /nfs/dbraw/zinc/42/44/79/357424479.db2.gz NMIMBRACLBGVRZ-UKRRQHHQSA-N 2 0 298.431 -0.493 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000638135480 357424493 /nfs/dbraw/zinc/42/44/93/357424493.db2.gz BTSXGYWMJIKHIP-JSGCOSHPSA-N 2 0 284.404 -0.883 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000638141650 357424850 /nfs/dbraw/zinc/42/48/50/357424850.db2.gz UVXSJHLJYMSNAE-IPYPFGDCSA-N 2 0 298.431 -0.495 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000638141309 357424964 /nfs/dbraw/zinc/42/49/64/357424964.db2.gz SLXXVIKZCGVMQU-NWDGAFQWSA-N 2 0 256.394 -0.264 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000638141019 357425370 /nfs/dbraw/zinc/42/53/70/357425370.db2.gz DIIGJQWYJRAXJR-CQSZACIVSA-N 2 0 280.416 -0.118 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000638141308 357425477 /nfs/dbraw/zinc/42/54/77/357425477.db2.gz SLXXVIKZCGVMQU-NEPJUHHUSA-N 2 0 256.394 -0.264 20 0 CBADRP [NH3+][C@H](CNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC000638154819 357427238 /nfs/dbraw/zinc/42/72/38/357427238.db2.gz RHSWJNNTIWQZTI-QJPTWQEYSA-N 2 0 253.346 -0.297 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000638152722 357427616 /nfs/dbraw/zinc/42/76/16/357427616.db2.gz BKYRXACWJGQELY-SNVBAGLBSA-N 2 0 253.350 -0.088 20 0 CBADRP C[C@]1(C(=O)NC[C@]2(C)CCC[NH2+]C2)C[NH2+]CCO1 ZINC000638162147 357428527 /nfs/dbraw/zinc/42/85/27/357428527.db2.gz CZTYMTAFYLYTHS-CHWSQXEVSA-N 2 0 255.362 -0.129 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000638164887 357428902 /nfs/dbraw/zinc/42/89/02/357428902.db2.gz MVCIVVOBECIEOX-HGCLJGPKSA-N 2 0 253.346 -0.312 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000638169604 357430361 /nfs/dbraw/zinc/43/03/61/357430361.db2.gz HWBGVHPEWSFNAM-CYBMUJFWSA-N 2 0 252.362 -0.896 20 0 CBADRP C[N@@H+]1CCCN(C(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638170902 357430544 /nfs/dbraw/zinc/43/05/44/357430544.db2.gz RWGDTYJOQPIDNV-ZDUSSCGKSA-N 2 0 255.362 -0.094 20 0 CBADRP C[C@]1(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C[NH2+]CCO1 ZINC000638245225 357443438 /nfs/dbraw/zinc/44/34/38/357443438.db2.gz AWJNRFMVONFAGM-NQBHXWOUSA-N 2 0 253.346 -0.425 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cn1 ZINC000638245572 357443453 /nfs/dbraw/zinc/44/34/53/357443453.db2.gz PTOKABHGJWLVFG-GDNZZTSVSA-N 2 0 263.345 -0.608 20 0 CBADRP CC(C)[C@H]1CN(C(=O)[C@]2(C)C[NH2+]CCO2)CC[NH2+]1 ZINC000638196589 357432898 /nfs/dbraw/zinc/43/28/98/357432898.db2.gz FBQQEOIIIHVZEE-YPMHNXCESA-N 2 0 255.362 -0.179 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000638198942 357434391 /nfs/dbraw/zinc/43/43/91/357434391.db2.gz ACHNKEAYUIHRTD-VXGBXAGGSA-N 2 0 252.362 -0.898 20 0 CBADRP [NH3+]C[C@]1(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CCCOC1 ZINC000638203513 357434443 /nfs/dbraw/zinc/43/44/43/357434443.db2.gz VBKZGMVKMFQOHV-MBNYWOFBSA-N 2 0 267.373 -0.048 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000638213935 357434838 /nfs/dbraw/zinc/43/48/38/357434838.db2.gz SHEUDVLVNHETTK-NOHGZBONSA-N 2 0 253.346 -0.569 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)CC[NH2+]1 ZINC000638212107 357434981 /nfs/dbraw/zinc/43/49/81/357434981.db2.gz VKRSCLMEIXMXHC-NTZNESFSSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638209939 357435166 /nfs/dbraw/zinc/43/51/66/357435166.db2.gz ZDGPOYHUXGAFRM-GMXVVIOVSA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000638228024 357438015 /nfs/dbraw/zinc/43/80/15/357438015.db2.gz WAEPXRRCTGAMDL-CYBMUJFWSA-N 2 0 280.416 -0.166 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@]2(C[NH3+])CCCOC2)CCO1 ZINC000637865444 357379156 /nfs/dbraw/zinc/37/91/56/357379156.db2.gz FISRBEAQYVBLPY-DMDPSCGWSA-N 2 0 271.361 -0.684 20 0 CBADRP C[C@@]1(C(=O)N2CCC(OCCC[NH3+])CC2)C[NH2+]CCO1 ZINC000637864648 357379253 /nfs/dbraw/zinc/37/92/53/357379253.db2.gz OSXQTBWKPKAQCN-AWEZNQCLSA-N 2 0 285.388 -0.279 20 0 CBADRP Cc1cc(C[NH3+])oc1C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000637864935 357379449 /nfs/dbraw/zinc/37/94/49/357379449.db2.gz YHEQILZFGGQMRF-SNVBAGLBSA-N 2 0 266.345 -0.238 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@]2(C[NH3+])CCCOC2)CCO1 ZINC000637865446 357379550 /nfs/dbraw/zinc/37/95/50/357379550.db2.gz FISRBEAQYVBLPY-GVXVVHGQSA-N 2 0 271.361 -0.684 20 0 CBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)CN1CC[NH2+]CC1 ZINC000637864669 357379591 /nfs/dbraw/zinc/37/95/91/357379591.db2.gz PGJAUZCDLCOYOI-GFCCVEGCSA-N 2 0 256.394 -0.277 20 0 CBADRP C[NH2+]CCOCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000638575445 357496559 /nfs/dbraw/zinc/49/65/59/357496559.db2.gz OGVSHKLXRRHADJ-UHFFFAOYSA-N 2 0 283.376 -0.590 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638573803 357496743 /nfs/dbraw/zinc/49/67/43/357496743.db2.gz LWLKNUVTAXHOBH-LBPRGKRZSA-N 2 0 259.350 -0.906 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000638576866 357497259 /nfs/dbraw/zinc/49/72/59/357497259.db2.gz REDBPBBATMNKCC-NEPJUHHUSA-N 2 0 255.362 -0.131 20 0 CBADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCOCC[NH2+]C)C1(C)C ZINC000638579085 357498030 /nfs/dbraw/zinc/49/80/30/357498030.db2.gz LZCMAWQLHGYSPL-SMDDNHRTSA-N 2 0 287.404 -0.129 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000638585964 357498564 /nfs/dbraw/zinc/49/85/64/357498564.db2.gz DDRBLNMEQGAMTN-NSHDSACASA-N 2 0 259.350 -0.941 20 0 CBADRP C[NH2+]CCOCCNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000638584181 357498828 /nfs/dbraw/zinc/49/88/28/357498828.db2.gz OQCARXQLARRAFQ-UHFFFAOYSA-N 2 0 277.368 -0.165 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000638592936 357499465 /nfs/dbraw/zinc/49/94/65/357499465.db2.gz WEPZRKMEECPJNE-NSHDSACASA-N 2 0 275.418 -0.224 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@]1(COC)CC[NH2+]C1 ZINC000638593538 357499514 /nfs/dbraw/zinc/49/95/14/357499514.db2.gz SPTUOTXBEOIYDK-CYBMUJFWSA-N 2 0 273.377 -0.693 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@]1(COC)CCCC[NH2+]1 ZINC000638595141 357500076 /nfs/dbraw/zinc/50/00/76/357500076.db2.gz YASIRLCLLHPQOZ-CQSZACIVSA-N 2 0 287.404 -0.161 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000638624933 357512756 /nfs/dbraw/zinc/51/27/56/357512756.db2.gz ZPAKEBCIXPKBFE-KGLIPLIRSA-N 2 0 275.352 -0.195 20 0 CBADRP [NH3+]C[C@@H](C(=O)NC[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000638623880 357512243 /nfs/dbraw/zinc/51/22/43/357512243.db2.gz LKNZCGNWDFKSHV-QWHCGFSZSA-N 2 0 263.341 -0.167 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)C1([NH2+]C2CC2)CCC1 ZINC000638613142 357504973 /nfs/dbraw/zinc/50/49/73/357504973.db2.gz HFVNQFXUFNOCKJ-LLVKDONJSA-N 2 0 253.346 -0.234 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000638249850 357444524 /nfs/dbraw/zinc/44/45/24/357444524.db2.gz XXZARHYXGXJFKI-BETUJISGSA-N 2 0 266.389 -0.650 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)[C@]1(C[NH3+])CCCOC1)C(F)F ZINC000638257665 357444628 /nfs/dbraw/zinc/44/46/28/357444628.db2.gz CMUNACUYOAFNGO-KCJUWKMLSA-N 2 0 265.304 -0.159 20 0 CBADRP C[C@@]1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C[NH2+]CCO1 ZINC000638260028 357445120 /nfs/dbraw/zinc/44/51/20/357445120.db2.gz NDYOAZKQURHGCD-IPYPFGDCSA-N 2 0 297.399 -0.280 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638261311 357445421 /nfs/dbraw/zinc/44/54/21/357445421.db2.gz DPWITCHODULHEU-NSHDSACASA-N 2 0 254.378 -0.604 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CCCC[NH2+]1 ZINC000638263754 357446307 /nfs/dbraw/zinc/44/63/07/357446307.db2.gz CMWIZGRVWKWRCT-GXTWGEPZSA-N 2 0 285.388 -0.360 20 0 CBADRP [NH3+]C[C@@]1(C(=O)NC[C@H]2C[NH2+]CCCO2)CCCOC1 ZINC000638268199 357446782 /nfs/dbraw/zinc/44/67/82/357446782.db2.gz XISAOMPWKVLLEV-YPMHNXCESA-N 2 0 271.361 -0.763 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000638270289 357447501 /nfs/dbraw/zinc/44/75/01/357447501.db2.gz GIPHYZPSMONCKG-GWCFXTLKSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1COCC[NH2+]1 ZINC000638618802 357509005 /nfs/dbraw/zinc/50/90/05/357509005.db2.gz OTAQYMLWZFYDFD-TUAOUCFPSA-N 2 0 255.362 -0.036 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)[C@H]1C[NH2+]CCC1(F)F ZINC000638617183 357509035 /nfs/dbraw/zinc/50/90/35/357509035.db2.gz XGNUCLBXDOSOKB-DTWKUNHWSA-N 2 0 263.288 -0.664 20 0 CBADRP [NH3+]C[C@@]1(C(=O)NCC[N@@H+]2CCCOCC2)CCCOC1 ZINC000638295124 357453529 /nfs/dbraw/zinc/45/35/29/357453529.db2.gz TYRJXWWVUXFPHV-AWEZNQCLSA-N 2 0 285.388 -0.420 20 0 CBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CC[NH2+]CC3)[C@H]2C1 ZINC000638312408 357454723 /nfs/dbraw/zinc/45/47/23/357454723.db2.gz FTHAMKOWSCOHSN-STQMWFEESA-N 2 0 266.389 -0.556 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000638326535 357458510 /nfs/dbraw/zinc/45/85/10/357458510.db2.gz ZUVYOOYOFDRLRL-XFMPKHEZSA-N 2 0 297.399 -0.315 20 0 CBADRP [NH3+]C[C@@H](NC(=O)CN1CC[NH2+]CC1)C1CCCC1 ZINC000638326626 357458831 /nfs/dbraw/zinc/45/88/31/357458831.db2.gz NJCXPQLLVZFYHD-GFCCVEGCSA-N 2 0 254.378 -0.475 20 0 CBADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000638338162 357459020 /nfs/dbraw/zinc/45/90/20/357459020.db2.gz SIVLVBMYGASLEG-KBPBESRZSA-N 2 0 293.367 -0.330 20 0 CBADRP CN(CC[NH3+])C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638343052 357460087 /nfs/dbraw/zinc/46/00/87/357460087.db2.gz JWZHZLLMEGXZNW-ZDUSSCGKSA-N 2 0 264.373 -0.137 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000638344717 357460473 /nfs/dbraw/zinc/46/04/73/357460473.db2.gz VBMSUOUCRQQXMH-WZRBSPASSA-N 2 0 255.362 -0.192 20 0 CBADRP COc1cccc(C[C@H]([NH3+])C(=O)N(C)CC[NH3+])c1 ZINC000638345523 357460654 /nfs/dbraw/zinc/46/06/54/357460654.db2.gz YGXFFGQWKSKKRN-LBPRGKRZSA-N 2 0 251.330 -0.018 20 0 CBADRP COc1cccc(C[C@@H]([NH3+])C(=O)N(C)CC[NH3+])c1 ZINC000638345522 357460771 /nfs/dbraw/zinc/46/07/71/357460771.db2.gz YGXFFGQWKSKKRN-GFCCVEGCSA-N 2 0 251.330 -0.018 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000638344591 357460885 /nfs/dbraw/zinc/46/08/85/357460885.db2.gz OQGYCFPRSHOYIG-DMDPSCGWSA-N 2 0 271.361 -0.670 20 0 CBADRP C[C@@H]1C[C@@H](C)N(C(=O)CN2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000638356756 357462743 /nfs/dbraw/zinc/46/27/43/357462743.db2.gz GLROTWNVVIVWJM-JHJVBQTASA-N 2 0 268.405 -0.277 20 0 CBADRP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)CN1CC[NH2+]CC1 ZINC000638374197 357463429 /nfs/dbraw/zinc/46/34/29/357463429.db2.gz XXGVKDRUWIZXMG-HNNXBMFYSA-N 2 0 288.395 -0.024 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@]2(C)C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000638390354 357465756 /nfs/dbraw/zinc/46/57/56/357465756.db2.gz LMSKKJCSFBCIFO-WZRBSPASSA-N 2 0 271.361 -0.813 20 0 CBADRP [NH3+]CC1(CCNC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638387328 357465954 /nfs/dbraw/zinc/46/59/54/357465954.db2.gz CGXOIXTYRBVFID-ZDUSSCGKSA-N 2 0 255.362 -0.013 20 0 CBADRP O=C1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CCCN1 ZINC000638410777 357470293 /nfs/dbraw/zinc/47/02/93/357470293.db2.gz BUECORJBAFLHOH-RYUDHWBXSA-N 2 0 255.362 -0.299 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638619697 357510102 /nfs/dbraw/zinc/51/01/02/357510102.db2.gz WRYMQLMCBJWZIQ-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@]1(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH2+]C1 ZINC000638439855 357477632 /nfs/dbraw/zinc/47/76/32/357477632.db2.gz LHOTXPHUTJLECZ-WZRBSPASSA-N 2 0 253.346 -0.282 20 0 CBADRP C[C@]1(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C[NH2+]CCO1 ZINC000638442245 357477929 /nfs/dbraw/zinc/47/79/29/357477929.db2.gz QNOJIECYNJWEFY-UHTWSYAYSA-N 2 0 253.346 -0.295 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000638488628 357484184 /nfs/dbraw/zinc/48/41/84/357484184.db2.gz HZTYWQQWCBBDFN-OLZOCXBDSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]1CC[NH2+][C@H](C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000638495386 357486134 /nfs/dbraw/zinc/48/61/34/357486134.db2.gz CBGFGJIRJUXNMT-AVGNSLFASA-N 2 0 296.415 -0.170 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000638496583 357486440 /nfs/dbraw/zinc/48/64/40/357486440.db2.gz VFTRGSFMUUDFNZ-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP CC1(OCC(=O)N[C@@H]2CC[NH2+]C23CCC3)C[NH2+]C1 ZINC000638507200 357491113 /nfs/dbraw/zinc/49/11/13/357491113.db2.gz BUSOXQSDXBOWTA-SNVBAGLBSA-N 2 0 253.346 -0.234 20 0 CBADRP CCN(CC[NH3+])C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000638513160 357492210 /nfs/dbraw/zinc/49/22/10/357492210.db2.gz NPPKRTKYEWMEFJ-VIFPVBQESA-N 2 0 251.334 -0.093 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638510977 357492226 /nfs/dbraw/zinc/49/22/26/357492226.db2.gz YRHSFHJLLJCDSW-LLVKDONJSA-N 2 0 253.346 -0.234 20 0 CBADRP CCN(CC[NH3+])C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638517366 357492746 /nfs/dbraw/zinc/49/27/46/357492746.db2.gz SPOAGARGLXXRAN-JTQLQIEISA-N 2 0 256.350 -0.948 20 0 CBADRP [NH3+]C1(CNC(=O)C[C@H]2CSCC[NH2+]2)CCOCC1 ZINC000638540277 357493306 /nfs/dbraw/zinc/49/33/06/357493306.db2.gz LZNCNYLYSDBIQX-JTQLQIEISA-N 2 0 273.402 -0.294 20 0 CBADRP [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCC1([NH3+])CCOCC1 ZINC000638540544 357493590 /nfs/dbraw/zinc/49/35/90/357493590.db2.gz OQLCYOPEPKOYDK-MNOVXSKESA-N 2 0 255.362 -0.015 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[C@H]1C(F)(F)F ZINC000638560544 357494219 /nfs/dbraw/zinc/49/42/19/357494219.db2.gz WUMKQOGHVNULAQ-HTQZYQBOSA-N 2 0 281.278 -0.694 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC1([NH3+])CCOCC1 ZINC000638541924 357494524 /nfs/dbraw/zinc/49/45/24/357494524.db2.gz LLXLVTKWSGNNBJ-UHFFFAOYSA-N 2 0 299.415 -0.031 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000638641980 357514777 /nfs/dbraw/zinc/51/47/77/357514777.db2.gz GWVSSBVGHKWEHA-QWHCGFSZSA-N 2 0 268.405 -0.119 20 0 CBADRP [NH3+]CCCOCCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000638662397 357517463 /nfs/dbraw/zinc/51/74/63/357517463.db2.gz WAVCOEYJNNRGKA-CYBMUJFWSA-N 2 0 295.387 -0.097 20 0 CBADRP [NH3+]CCCOCCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000638661611 357517490 /nfs/dbraw/zinc/51/74/90/357517490.db2.gz BJLWJHJHNKRHTQ-NWDGAFQWSA-N 2 0 255.362 -0.001 20 0 CBADRP COc1cccc(C[C@H]([NH3+])C(=O)N(C)CCOCC[NH3+])c1 ZINC000638669416 357518249 /nfs/dbraw/zinc/51/82/49/357518249.db2.gz CAYATIQRNIBRPR-AWEZNQCLSA-N 2 0 295.383 -0.001 20 0 CBADRP COC[C@]1(C(=O)N(C)CCOCC[NH3+])CC[NH2+]C1 ZINC000638671995 357518318 /nfs/dbraw/zinc/51/83/18/357518318.db2.gz APHRDKOMARFDBO-LBPRGKRZSA-N 2 0 259.350 -0.954 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638672980 357518952 /nfs/dbraw/zinc/51/89/52/357518952.db2.gz GUQVVZLAKAWFDC-GFCCVEGCSA-N 2 0 259.350 -0.824 20 0 CBADRP CN(CCOCC[NH3+])C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000638673808 357519338 /nfs/dbraw/zinc/51/93/38/357519338.db2.gz OSOQHFLDDGKVJU-UHFFFAOYSA-N 2 0 283.376 -0.508 20 0 CBADRP [NH3+][C@H]1CCCCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000638815472 357532788 /nfs/dbraw/zinc/53/27/88/357532788.db2.gz HOUUFHKZMYFSBJ-OBJOEFQTSA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+][C@H]1CCCCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000638820057 357533954 /nfs/dbraw/zinc/53/39/54/357533954.db2.gz PMBJCNSJAHIPJH-NWDGAFQWSA-N 2 0 282.388 -0.416 20 0 CBADRP [NH3+][C@H]1CCCCCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000638820001 357533992 /nfs/dbraw/zinc/53/39/92/357533992.db2.gz OLQDSOVHSGYZFW-QWHCGFSZSA-N 2 0 296.415 -0.025 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000638855577 357538449 /nfs/dbraw/zinc/53/84/49/357538449.db2.gz FDQONSMEZRQKBW-STQMWFEESA-N 2 0 296.415 -0.204 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000638856654 357538588 /nfs/dbraw/zinc/53/85/88/357538588.db2.gz QJZZEEOPHGBTOZ-AAEUAGOBSA-N 2 0 296.415 -0.204 20 0 CBADRP CCC1([NH+]2CCCC2)CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000638862573 357539254 /nfs/dbraw/zinc/53/92/54/357539254.db2.gz WAGZFJARHQTMMG-UHFFFAOYSA-N 2 0 296.415 -0.072 20 0 CBADRP COCC1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[NH2+]CC1 ZINC000638915182 357543641 /nfs/dbraw/zinc/54/36/41/357543641.db2.gz IMCMSOVLSKBEQF-QWRGUYRKSA-N 2 0 253.346 -0.425 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000638925677 357544291 /nfs/dbraw/zinc/54/42/91/357544291.db2.gz SHZBQLRWIHKYNH-BETUJISGSA-N 2 0 266.389 -0.413 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000638925806 357544319 /nfs/dbraw/zinc/54/43/19/357544319.db2.gz ASWPBFVUSHSNLN-NOHGZBONSA-N 2 0 253.346 -0.284 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)CCOC2C[NH2+]C2)CC1 ZINC000638968051 357547407 /nfs/dbraw/zinc/54/74/07/357547407.db2.gz OVAOWSRWCXXVPD-XYPYZODXSA-N 2 0 255.362 -0.001 20 0 CBADRP CC1(OCC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C[NH2+]C1 ZINC000638966564 357547462 /nfs/dbraw/zinc/54/74/62/357547462.db2.gz DNFSABSSSAELCJ-XYPYZODXSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638983229 357549029 /nfs/dbraw/zinc/54/90/29/357549029.db2.gz DJUOQAIHYIUOQC-YPMHNXCESA-N 3 0 291.355 -0.454 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639020176 357552902 /nfs/dbraw/zinc/55/29/02/357552902.db2.gz DHPIFDLQDGNBMD-SCRDCRAPSA-N 2 0 296.415 -0.314 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000639049605 357555757 /nfs/dbraw/zinc/55/57/57/357555757.db2.gz VXEMXZCKLNDKKO-HNNXBMFYSA-N 2 0 285.432 -0.122 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000639114148 357558421 /nfs/dbraw/zinc/55/84/21/357558421.db2.gz KRKPNLBQMDDVMR-LLVKDONJSA-N 2 0 272.393 -0.321 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cnc(N)nc1N ZINC000639173207 357560629 /nfs/dbraw/zinc/56/06/29/357560629.db2.gz WOSAYPVYVVRLQH-UHFFFAOYSA-N 2 0 281.408 -0.773 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000639313609 357566487 /nfs/dbraw/zinc/56/64/87/357566487.db2.gz ZBMIFSYBZMEWHU-WAAGHKOSSA-N 2 0 250.350 -0.268 20 0 CBADRP COC[C@](C)(CO)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000639954412 357623280 /nfs/dbraw/zinc/62/32/80/357623280.db2.gz BQWKQVARMXOPQJ-HNNXBMFYSA-N 2 0 299.415 -0.284 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1C[C@H](OC)C[C@@]1(C)CO ZINC000639999912 357626617 /nfs/dbraw/zinc/62/66/17/357626617.db2.gz BBACDSPFTKYJIR-XQQFMLRXSA-N 2 0 260.378 -0.229 20 0 CBADRP CCNC(=O)CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639760554 357595524 /nfs/dbraw/zinc/59/55/24/357595524.db2.gz BRNGVHORRUKSOT-ZDUSSCGKSA-N 2 0 257.378 -0.099 20 0 CBADRP C[C@@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)C[NH+]1CCCC1 ZINC000333798401 295948527 /nfs/dbraw/zinc/94/85/27/295948527.db2.gz NRIHIAYQGUBNGB-AVGNSLFASA-N 2 0 284.404 -0.308 20 0 CBADRP CC[N@H+](C)C[C@H](O)Cn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000641222624 357680877 /nfs/dbraw/zinc/68/08/77/357680877.db2.gz MSLZEMJQAQRVKF-AWEZNQCLSA-N 2 0 296.419 -0.662 20 0 CBADRP C[N@H+](C[C@@H](O)Cn1cc(CN2CC[NH2+]CC2)nn1)C1CC1 ZINC000641220949 357681340 /nfs/dbraw/zinc/68/13/40/357681340.db2.gz DLPUVUGHKYQBDF-CQSZACIVSA-N 2 0 294.403 -0.862 20 0 CBADRP C[NH2+]C(C)(C)c1cn(C[C@@H](O)C[N@H+](C)CCOC)nn1 ZINC000641224016 357682478 /nfs/dbraw/zinc/68/24/78/357682478.db2.gz RILYBQVDYGUCSO-NSHDSACASA-N 2 0 285.392 -0.328 20 0 CBADRP C[NH+](C)CCc1cn(C[C@@H](O)C[N@H+](C)C2CC2)nn1 ZINC000641222740 357682988 /nfs/dbraw/zinc/68/29/88/357682988.db2.gz CXMLQHNFBCLKOM-ZDUSSCGKSA-N 2 0 267.377 -0.163 20 0 CBADRP CC[NH2+]CC1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000641797120 357742346 /nfs/dbraw/zinc/74/23/46/357742346.db2.gz UZRMQSQPPXKFOB-UHFFFAOYSA-N 2 0 263.407 -0.014 20 0 CBADRP C[NH2+]CCC1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000641797544 357742358 /nfs/dbraw/zinc/74/23/58/357742358.db2.gz FGSBFTDNRDIONT-UHFFFAOYSA-N 2 0 263.407 -0.014 20 0 CBADRP Cn1cncc1CC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000641797249 357742631 /nfs/dbraw/zinc/74/26/31/357742631.db2.gz ZETXEPMSGLZJTI-UHFFFAOYSA-N 2 0 251.378 -0.200 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000641944835 357749063 /nfs/dbraw/zinc/74/90/63/357749063.db2.gz NXBMXTAONGCGLD-NSHDSACASA-N 2 0 272.393 -0.178 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000642439369 357753953 /nfs/dbraw/zinc/75/39/53/357753953.db2.gz CZYVPHKLXKNOGA-GFCCVEGCSA-N 2 0 296.415 -0.025 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000642403976 357754585 /nfs/dbraw/zinc/75/45/85/357754585.db2.gz PXFCAMOSWPOWOA-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000642439561 357755159 /nfs/dbraw/zinc/75/51/59/357755159.db2.gz MCKAZWPGZUHHQP-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642439937 357755528 /nfs/dbraw/zinc/75/55/28/357755528.db2.gz SIBRXZKRYVRAPY-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000642439532 357755642 /nfs/dbraw/zinc/75/56/42/357755642.db2.gz KYPIPZUOVIINMT-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000642439514 357755651 /nfs/dbraw/zinc/75/56/51/357755651.db2.gz KFIKFNYNNYEPOJ-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH2+]C2CC2)C[N@@H+]1C1CC1 ZINC000642718122 357758767 /nfs/dbraw/zinc/75/87/67/357758767.db2.gz IUGOQUNCRGIRAZ-PWSUYJOCSA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C[N@@H+]1C1CC1 ZINC000642718192 357758837 /nfs/dbraw/zinc/75/88/37/357758837.db2.gz RJJPASJRXFXNBI-NTZNESFSSA-N 2 0 294.399 -0.323 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000642718195 357758968 /nfs/dbraw/zinc/75/89/68/357758968.db2.gz RTXTUUTUGQHASU-IJLUTSLNSA-N 2 0 294.399 -0.452 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642718721 357759404 /nfs/dbraw/zinc/75/94/04/357759404.db2.gz JVPGOSNJAWPHJP-GXFFZTMASA-N 2 0 294.399 -0.547 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642732144 357760358 /nfs/dbraw/zinc/76/03/58/357760358.db2.gz GPHUHTGMBOLNMD-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642732135 357760424 /nfs/dbraw/zinc/76/04/24/357760424.db2.gz DYACQPPGSGSDOZ-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000642762279 357761241 /nfs/dbraw/zinc/76/12/41/357761241.db2.gz CDYHHNQISLVDSI-NXEZZACHSA-N 2 0 272.393 -0.458 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC[NH2+]1 ZINC000642785863 357762569 /nfs/dbraw/zinc/76/25/69/357762569.db2.gz OLRKOBNEAAFYMP-DGCLKSJQSA-N 2 0 294.399 -0.593 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000642785658 357762698 /nfs/dbraw/zinc/76/26/98/357762698.db2.gz BWYCHDRDYUOSHP-QWHCGFSZSA-N 2 0 294.399 -0.545 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000642786016 357762719 /nfs/dbraw/zinc/76/27/19/357762719.db2.gz XFOIRNLKUPPLSV-OLZOCXBDSA-N 2 0 294.399 -0.593 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000642785664 357762749 /nfs/dbraw/zinc/76/27/49/357762749.db2.gz CJQYMWLIZDVBLC-CHWSQXEVSA-N 2 0 294.399 -0.463 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000642892864 357764956 /nfs/dbraw/zinc/76/49/56/357764956.db2.gz ZVLAUPPRJPUEGC-OLZOCXBDSA-N 2 0 296.415 -0.156 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642902727 357765258 /nfs/dbraw/zinc/76/52/58/357765258.db2.gz YSYNODDTCNHAIR-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000642899020 357765485 /nfs/dbraw/zinc/76/54/85/357765485.db2.gz GHSDAGVEVOHUCJ-STQMWFEESA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)[NH3+])C1 ZINC000642908245 357766732 /nfs/dbraw/zinc/76/67/32/357766732.db2.gz MEXQFXYISRKXGX-MNOVXSKESA-N 2 0 270.377 -0.561 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642905124 357766744 /nfs/dbraw/zinc/76/67/44/357766744.db2.gz GZGQLYOXAYFVNR-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918150 357769636 /nfs/dbraw/zinc/76/96/36/357769636.db2.gz OOJQVRFCFWMHLF-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000642961144 357773805 /nfs/dbraw/zinc/77/38/05/357773805.db2.gz QBTRAEBUKGVTOR-QWHCGFSZSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000642985814 357774484 /nfs/dbraw/zinc/77/44/84/357774484.db2.gz ANOFOHPFEWGLGM-UTUOFQBUSA-N 2 0 282.388 -0.689 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)C[C@@H]21 ZINC000643589969 357791502 /nfs/dbraw/zinc/79/15/02/357791502.db2.gz CVWMGSSIHQRKRU-WOPDTQHZSA-N 2 0 280.372 -0.901 20 0 CBADRP CN1CCN(C(=O)C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000643472255 357784087 /nfs/dbraw/zinc/78/40/87/357784087.db2.gz MQNMNNDQBHVUIL-OLZOCXBDSA-N 2 0 268.405 -0.133 20 0 CBADRP CN1CCN(C(=O)C[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000643472210 357784329 /nfs/dbraw/zinc/78/43/29/357784329.db2.gz HPCAYCYIFZLYOF-UHFFFAOYSA-N 2 0 268.405 -0.133 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000643553555 357788967 /nfs/dbraw/zinc/78/89/67/357788967.db2.gz HMAFMRXSHPIHNE-CHWSQXEVSA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105915571 283312891 /nfs/dbraw/zinc/31/28/91/283312891.db2.gz BFDDDGZWGBAPGI-LLVKDONJSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000346124554 291131240 /nfs/dbraw/zinc/13/12/40/291131240.db2.gz XPEZNIFTIYESMT-RYUDHWBXSA-N 2 0 296.415 -0.252 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(CCOCC3CC3)CCN2C1=O ZINC000576528368 335215341 /nfs/dbraw/zinc/21/53/41/335215341.db2.gz GRVVDCXPWZWEHE-NWDGAFQWSA-N 2 0 253.346 -0.343 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[NH2+]CC1CC1 ZINC000430896466 283349724 /nfs/dbraw/zinc/34/97/24/283349724.db2.gz HZTAMVWLGCQEGF-GFCCVEGCSA-N 2 0 282.388 -0.558 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252862422 283365026 /nfs/dbraw/zinc/36/50/26/283365026.db2.gz OAWKNFXXHJIQST-NAKRPEOUSA-N 2 0 268.361 -0.110 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000516463177 291151474 /nfs/dbraw/zinc/15/14/74/291151474.db2.gz UCTMMJAZMHBNJP-SDDRHHMPSA-N 2 0 283.372 -0.181 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000423311373 291151642 /nfs/dbraw/zinc/15/16/42/291151642.db2.gz PSLXIYISMKVRDS-NSHDSACASA-N 2 0 271.361 -0.131 20 0 CBADRP CC[N@@H+]1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)[C@H](C)C1 ZINC000341777025 216099438 /nfs/dbraw/zinc/09/94/38/216099438.db2.gz OYZKQAWYVLHGIP-ZIAGYGMSSA-N 2 0 280.416 -0.071 20 0 CBADRP CNC(=O)C[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000341894549 216141578 /nfs/dbraw/zinc/14/15/78/216141578.db2.gz GEQUUGBTBDQDBN-NEPJUHHUSA-N 2 0 256.394 -0.264 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000167396381 296014327 /nfs/dbraw/zinc/01/43/27/296014327.db2.gz HXGMIKNPCUGNBN-NEPJUHHUSA-N 2 0 255.362 -0.096 20 0 CBADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)CC(N)=O)CC1 ZINC000341966941 216170104 /nfs/dbraw/zinc/17/01/04/216170104.db2.gz MOWBRCBVGUORKK-GFCCVEGCSA-N 2 0 256.394 -0.133 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000419000775 283661374 /nfs/dbraw/zinc/66/13/74/283661374.db2.gz OOTLRZJKXJNBOD-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@H]1[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])CCC[N@@H+]1C ZINC000419557299 291284906 /nfs/dbraw/zinc/28/49/06/291284906.db2.gz MFNPQYNFXZLJDI-UWVGGRQHSA-N 2 0 270.377 -0.561 20 0 CBADRP Cn1ccnc1[C@@H]1C[NH2+]CCN1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494415 541320526 /nfs/dbraw/zinc/32/05/26/541320526.db2.gz OQVWBSMMRBSRLB-DYEKYZERSA-N 2 0 261.373 -0.024 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000343609544 296055448 /nfs/dbraw/zinc/05/54/48/296055448.db2.gz WPRIWMQTYSZSCR-WCQYABFASA-N 2 0 253.346 -0.423 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000353401076 296054933 /nfs/dbraw/zinc/05/49/33/296054933.db2.gz PEZOSKTXADBTGT-OLZOCXBDSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)CC[NH2+]1 ZINC000370093025 288559263 /nfs/dbraw/zinc/55/92/63/288559263.db2.gz HOLUFFMEUJQSGB-BDAKNGLRSA-N 2 0 263.345 -0.074 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1c[nH+]ccc1N ZINC000275702901 193108256 /nfs/dbraw/zinc/10/82/56/193108256.db2.gz SNDGACJYMYEUBJ-LBPRGKRZSA-N 2 0 291.355 -0.267 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1c[nH+]ccc1N ZINC000275702899 193108323 /nfs/dbraw/zinc/10/83/23/193108323.db2.gz SNDGACJYMYEUBJ-GFCCVEGCSA-N 2 0 291.355 -0.267 20 0 CBADRP CC[NH+](CC)CC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000552208583 283978602 /nfs/dbraw/zinc/97/86/02/283978602.db2.gz SNFRUARZDDNIAU-CQSZACIVSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H](NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)[C@H](C)[NH3+] ZINC000424169987 296108443 /nfs/dbraw/zinc/10/84/43/296108443.db2.gz KAICWALTQPXDKB-AEJSXWLSSA-N 2 0 266.349 -0.332 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000574262257 335004738 /nfs/dbraw/zinc/00/47/38/335004738.db2.gz PVPQYGDROOZENN-AWEZNQCLSA-N 2 0 295.431 -0.159 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN(C)[C@H]1CCN2CCO[C@H]1C2 ZINC000574288659 335007196 /nfs/dbraw/zinc/00/71/96/335007196.db2.gz QDLKRYSVDDECLF-RDBSUJKOSA-N 2 0 271.405 -0.296 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN(C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000574288658 335007346 /nfs/dbraw/zinc/00/73/46/335007346.db2.gz QDLKRYSVDDECLF-MJBXVCDLSA-N 2 0 271.405 -0.296 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)CCC2CC[NH2+]CC2)CCO1 ZINC000574320844 335010222 /nfs/dbraw/zinc/01/02/22/335010222.db2.gz IMWGHHPAFCLANF-GFCCVEGCSA-N 2 0 255.362 -0.048 20 0 CBADRP CCC[NH2+]CCNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000574320919 335010226 /nfs/dbraw/zinc/01/02/26/335010226.db2.gz NUEBYHWXXFDKAN-YOGCLGLASA-N 2 0 267.373 -0.083 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000188288973 296137331 /nfs/dbraw/zinc/13/73/31/296137331.db2.gz CERSMFKJDYUPPB-CMPLNLGQSA-N 2 0 253.346 -0.282 20 0 CBADRP C[N@H+](C[C@@H](O)CNC[C@@H]1CCC[NH+]1CCCO)C1CC1 ZINC000576585166 335222529 /nfs/dbraw/zinc/22/25/29/335222529.db2.gz RQGZPTVXZGUNJW-GJZGRUSLSA-N 2 0 285.432 -0.122 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000331945639 204322695 /nfs/dbraw/zinc/32/26/95/204322695.db2.gz YSEIIJPXCNSKQW-GFCCVEGCSA-N 2 0 296.415 -0.251 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)[C@@H]2C1 ZINC000331995321 204372039 /nfs/dbraw/zinc/37/20/39/204372039.db2.gz BHSRVGKAWONGHD-JHJVBQTASA-N 2 0 294.399 -0.593 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)C1(C[NH3+])CCOCC1 ZINC000344443891 217191938 /nfs/dbraw/zinc/19/19/38/217191938.db2.gz PVXKPMSHJDMJAT-UHFFFAOYSA-N 2 0 287.404 -0.174 20 0 CBADRP CN(C)C(=O)CN1CCCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000084182217 372770238 /nfs/dbraw/zinc/77/02/38/372770238.db2.gz GNWIOSRKVULLGH-UHFFFAOYSA-N 2 0 284.404 -0.264 20 0 CBADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)NC(N)=O)CC[C@@H]21 ZINC000162795198 372823717 /nfs/dbraw/zinc/82/37/17/372823717.db2.gz HAPDNYSAIXCCDO-QWRGUYRKSA-N 2 0 268.361 -0.013 20 0 CBADRP C[C@@H](C(=O)N(C)C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000178648003 372838690 /nfs/dbraw/zinc/83/86/90/372838690.db2.gz SBEHYUKOSAJRTE-LBPRGKRZSA-N 2 0 298.431 -0.147 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](C[NH3+])OC ZINC000353463449 220097637 /nfs/dbraw/zinc/09/76/37/220097637.db2.gz VMKZGSCCTQVZBF-GHMZBOCLSA-N 2 0 261.366 -0.567 20 0 CBADRP C[C@]1(O)CCN(CC(O)C[N@@H+]2CC[C@](C)(O)C2)C1 ZINC000248731281 372892220 /nfs/dbraw/zinc/89/22/20/372892220.db2.gz KRDUYTLSYJUMED-STQMWFEESA-N 2 0 258.362 -0.739 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261569818 372906621 /nfs/dbraw/zinc/90/66/21/372906621.db2.gz KBJXHSDUPMOAAL-AEJSXWLSSA-N 2 0 254.334 -0.486 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CNC(=O)C[NH3+] ZINC000262442671 372909805 /nfs/dbraw/zinc/90/98/05/372909805.db2.gz UVMWCWZGKGXRLX-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000333350814 205242322 /nfs/dbraw/zinc/24/23/22/205242322.db2.gz JNRPFEQTYPPUFV-RDBSUJKOSA-N 2 0 298.431 -0.062 20 0 CBADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000333354374 205245071 /nfs/dbraw/zinc/24/50/71/205245071.db2.gz BTGMAPXZRSYHLO-ITGUQSILSA-N 2 0 296.415 -0.044 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC[NH2+]1 ZINC000332306601 373002151 /nfs/dbraw/zinc/00/21/51/373002151.db2.gz WKPIXBINSAVPQP-AGIUHOORSA-N 2 0 294.399 -0.641 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)[C@@H](C)C[NH2+]1 ZINC000332655105 373005218 /nfs/dbraw/zinc/00/52/18/373005218.db2.gz VTTJLTLZVUGJMR-AGIUHOORSA-N 2 0 294.399 -0.498 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)C[N@@H+]1C1CC1 ZINC000333294648 373009366 /nfs/dbraw/zinc/00/93/66/373009366.db2.gz IDSAWHMVLODELS-MDZLAQPJSA-N 2 0 282.388 -0.019 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000339634260 373036727 /nfs/dbraw/zinc/03/67/27/373036727.db2.gz PRFSDLFGQGPTHQ-NSHDSACASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1CN(C(=O)NCCN2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000333773901 373014477 /nfs/dbraw/zinc/01/44/77/373014477.db2.gz CLXHNRKLOYRCOK-NEPJUHHUSA-N 2 0 269.393 -0.717 20 0 CBADRP C[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000340184889 373039353 /nfs/dbraw/zinc/03/93/53/373039353.db2.gz KNASLZRKJKEMSK-VHSXEESVSA-N 2 0 256.350 -0.963 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000333489731 205368113 /nfs/dbraw/zinc/36/81/13/205368113.db2.gz DCGPISAXVUDIAN-XQQFMLRXSA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000346648999 373069157 /nfs/dbraw/zinc/06/91/57/373069157.db2.gz GIBSPJTZIBINHW-VHSXEESVSA-N 2 0 266.345 -0.747 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000346124547 373066484 /nfs/dbraw/zinc/06/64/84/373066484.db2.gz XPEZNIFTIYESMT-NEPJUHHUSA-N 2 0 296.415 -0.252 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H]1COC[C@H]1O ZINC000361329377 373276569 /nfs/dbraw/zinc/27/65/69/373276569.db2.gz ZXGYYUXFXMRSSW-CHWSQXEVSA-N 2 0 257.378 -0.685 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000353585587 220174320 /nfs/dbraw/zinc/17/43/20/220174320.db2.gz ATVLGOJNTHFBJN-QWRGUYRKSA-N 2 0 270.377 -0.574 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCSC)C1 ZINC000353581237 220171377 /nfs/dbraw/zinc/17/13/77/220171377.db2.gz NJKDIMSOWOEYBI-MNOVXSKESA-N 2 0 275.418 -0.096 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000361697154 373327063 /nfs/dbraw/zinc/32/70/63/373327063.db2.gz VDCVVDFBIBALBD-RYUDHWBXSA-N 2 0 268.405 -0.040 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000361710345 373327644 /nfs/dbraw/zinc/32/76/44/373327644.db2.gz IMQWSYLLCCPCDI-GFCCVEGCSA-N 2 0 261.341 -0.228 20 0 CBADRP CCC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353600701 220182958 /nfs/dbraw/zinc/18/29/58/220182958.db2.gz XNXIUCFRTHEVBV-VXGBXAGGSA-N 2 0 284.404 -0.183 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000362763874 373444806 /nfs/dbraw/zinc/44/48/06/373444806.db2.gz WZWRGWHMEUCJQX-MCIONIFRSA-N 2 0 282.432 -0.064 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)C2([NH3+])Cc3ccccc3C2)CCO1 ZINC000364160477 373521556 /nfs/dbraw/zinc/52/15/56/373521556.db2.gz KPPXXPPYAOWYBY-CYBMUJFWSA-N 2 0 275.352 -0.331 20 0 CBADRP CN1CC[NH+]([C@H]2CCCCN(C(=O)C3C[NH2+]C3)C2)CC1 ZINC000367828489 373539636 /nfs/dbraw/zinc/53/96/36/373539636.db2.gz UUFLUMLACDPIBT-AWEZNQCLSA-N 2 0 280.416 -0.166 20 0 CBADRP C[C@@H](CNC(=O)[C@]1(F)CC[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000370772012 373550597 /nfs/dbraw/zinc/55/05/97/373550597.db2.gz JCPRZSZGSWHTDS-JSGCOSHPSA-N 2 0 286.395 -0.312 20 0 CBADRP O=C([C@H]1CCCC[NH2+]1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377563716 373576323 /nfs/dbraw/zinc/57/63/23/373576323.db2.gz MDLIOXPBSHQIBS-QWHCGFSZSA-N 2 0 266.389 -0.365 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)N[C@H](C)CC[NH3+] ZINC000417099424 373628393 /nfs/dbraw/zinc/62/83/93/373628393.db2.gz ZXLVDEAEGYJKCX-LLVKDONJSA-N 2 0 260.382 -0.009 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000417096217 373628852 /nfs/dbraw/zinc/62/88/52/373628852.db2.gz VTKXABMMWKTQOD-WDEREUQCSA-N 2 0 260.382 -0.010 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417439996 373628947 /nfs/dbraw/zinc/62/89/47/373628947.db2.gz NHENESGDAQYCGW-OLZOCXBDSA-N 2 0 284.404 -0.042 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000417439022 373629061 /nfs/dbraw/zinc/62/90/61/373629061.db2.gz KOSQHDHZVVTGHX-NSHDSACASA-N 2 0 260.382 -0.153 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000417442539 373629610 /nfs/dbraw/zinc/62/96/10/373629610.db2.gz VAMXFOBKNDYTIY-NWDGAFQWSA-N 2 0 272.393 -0.044 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000418305837 373631394 /nfs/dbraw/zinc/63/13/94/373631394.db2.gz PEOXRGJOTVLBRM-STQMWFEESA-N 2 0 283.420 -0.197 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)[NH3+])[C@@H](C)C1 ZINC000418423182 373632052 /nfs/dbraw/zinc/63/20/52/373632052.db2.gz FKHOWHZPXXWUMB-QWRGUYRKSA-N 2 0 272.393 -0.180 20 0 CBADRP [NH3+][C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000418494364 373632400 /nfs/dbraw/zinc/63/24/00/373632400.db2.gz XSZZPDNRPRICAU-QWHCGFSZSA-N 2 0 284.404 -0.130 20 0 CBADRP C[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)[C@H](C)[NH3+] ZINC000418699114 373633333 /nfs/dbraw/zinc/63/33/33/373633333.db2.gz NSWWBSQLXWVKON-QJPTWQEYSA-N 2 0 272.393 -0.132 20 0 CBADRP COC[C@@]1(CNC(=O)NCC2([NH3+])CCC2)CCC[NH2+]1 ZINC000418526802 373633367 /nfs/dbraw/zinc/63/33/67/373633367.db2.gz OMJRSAPBBWMTIX-ZDUSSCGKSA-N 2 0 270.377 -0.064 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CC2)[C@@H](C)C[NH2+]1 ZINC000419095540 373635254 /nfs/dbraw/zinc/63/52/54/373635254.db2.gz CLBFIXXBLMRZTN-MNOVXSKESA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[NH+]1CCC(C)CC1 ZINC000419165023 373635347 /nfs/dbraw/zinc/63/53/47/373635347.db2.gz ZYHFMHXQZABCFQ-QWHCGFSZSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418781569 373635608 /nfs/dbraw/zinc/63/56/08/373635608.db2.gz CRPFISFTUZMPBD-MGPQQGTHSA-N 2 0 298.431 -0.012 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)C1CC1 ZINC000419502247 373638031 /nfs/dbraw/zinc/63/80/31/373638031.db2.gz CLYLYFYVGBLMKZ-YPMHNXCESA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)[C@@H](C)C[NH2+]1 ZINC000419561178 373641667 /nfs/dbraw/zinc/64/16/67/373641667.db2.gz SDIJXRQLGMXKDI-YVECIDJPSA-N 2 0 296.415 -0.206 20 0 CBADRP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCN1C ZINC000419892759 373642737 /nfs/dbraw/zinc/64/27/37/373642737.db2.gz UUSFVFIWJOVGFQ-VXGBXAGGSA-N 2 0 282.388 -0.737 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419993826 373647236 /nfs/dbraw/zinc/64/72/36/373647236.db2.gz KRVIEHDFDSFJNZ-XQQFMLRXSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000420107252 373648896 /nfs/dbraw/zinc/64/88/96/373648896.db2.gz ASAFGJRSTJJNBC-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP O=C(CCN1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1 ZINC000420392691 373651517 /nfs/dbraw/zinc/65/15/17/373651517.db2.gz JDMQOVYKTCLCPZ-BETUJISGSA-N 2 0 266.389 -0.365 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424163704 373664813 /nfs/dbraw/zinc/66/48/13/373664813.db2.gz XYZUYELZIYUMHX-GRYCIOLGSA-N 2 0 282.388 -0.608 20 0 CBADRP CC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000430886525 373675110 /nfs/dbraw/zinc/67/51/10/373675110.db2.gz AOTGVWZHVJYUJO-QWRGUYRKSA-N 2 0 270.377 -0.573 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000449699541 373687173 /nfs/dbraw/zinc/68/71/73/373687173.db2.gz QCWQEEVRQXYJER-DGCLKSJQSA-N 2 0 254.378 -0.462 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000449704709 373688121 /nfs/dbraw/zinc/68/81/21/373688121.db2.gz WMWZMKMJRCAPNK-DGAVXFQQSA-N 2 0 280.416 -0.073 20 0 CBADRP CC[C@@]1(C(=O)NC[C@@H]2C[NH2+]CCN2C)CCC[NH2+]1 ZINC000449696762 373688406 /nfs/dbraw/zinc/68/84/06/373688406.db2.gz LEVOSBJLYRYPFU-AAEUAGOBSA-N 2 0 254.378 -0.462 20 0 CBADRP CN(CCNC(=O)/C=C\C[NH+](C)C)C(=O)/C=C/C[NH+](C)C ZINC000493781344 373729646 /nfs/dbraw/zinc/72/96/46/373729646.db2.gz FGYMPHDIMQWMPU-MKKAVFGOSA-N 2 0 296.415 -0.203 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000514601860 373757544 /nfs/dbraw/zinc/75/75/44/373757544.db2.gz BTBHOCXANXXJNC-AEJSXWLSSA-N 2 0 257.334 -0.619 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000514605197 373758016 /nfs/dbraw/zinc/75/80/16/373758016.db2.gz JQJQVXHWCSPTHR-KGLIPLIRSA-N 2 0 280.416 -0.166 20 0 CBADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000514663412 373759142 /nfs/dbraw/zinc/75/91/42/373759142.db2.gz QKSRCDUMKHLDLN-LBPRGKRZSA-N 2 0 297.403 -0.846 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000516183311 373804495 /nfs/dbraw/zinc/80/44/95/373804495.db2.gz PFMUPRZVFCHYGJ-SDDRHHMPSA-N 2 0 280.372 -0.935 20 0 CBADRP CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2ncc[nH]2)CC1 ZINC000516615785 373817841 /nfs/dbraw/zinc/81/78/41/373817841.db2.gz YLYCIICYROAQRK-SNVBAGLBSA-N 2 0 294.359 -0.234 20 0 CBADRP C[C@@H]1CN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@H]1[NH3+] ZINC000516650514 373818249 /nfs/dbraw/zinc/81/82/49/373818249.db2.gz ORGDCSPGAOGKFN-GRYCIOLGSA-N 3 0 254.378 -0.537 20 0 CBADRP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000519775160 373824715 /nfs/dbraw/zinc/82/47/15/373824715.db2.gz NYIKCIVCRCZKEV-JLLWLGSASA-N 2 0 298.387 -0.341 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000520226251 373829753 /nfs/dbraw/zinc/82/97/53/373829753.db2.gz FGMPSEUVZQOQEX-GHMZBOCLSA-N 2 0 272.393 -0.132 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000520232092 373830888 /nfs/dbraw/zinc/83/08/88/373830888.db2.gz RQNROKSAAMCOLK-HBNTYKKESA-N 2 0 268.361 -0.937 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000515302451 373781780 /nfs/dbraw/zinc/78/17/80/373781780.db2.gz UXBBQYFJWQVWBS-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000515619019 373790845 /nfs/dbraw/zinc/79/08/45/373790845.db2.gz FHORZGOSUVJNMO-MGPQQGTHSA-N 2 0 295.431 -0.184 20 0 CBADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1C(=O)NC ZINC000515666227 373795696 /nfs/dbraw/zinc/79/56/96/373795696.db2.gz QLWBRSUGXWKVGZ-IJLUTSLNSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000515845429 373797147 /nfs/dbraw/zinc/79/71/47/373797147.db2.gz GEHYDSYKLKVFDC-VXGBXAGGSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@H]1CN(CC[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CCO1 ZINC000515846086 373797735 /nfs/dbraw/zinc/79/77/35/373797735.db2.gz CDQFDVVYCQRZID-UONOGXRCSA-N 2 0 298.431 -0.506 20 0 CBADRP CC(C)NC(=O)CN(C)CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000515843270 373797806 /nfs/dbraw/zinc/79/78/06/373797806.db2.gz XHCWUKWVAGIWPC-TXEJJXNPSA-N 2 0 282.388 -0.879 20 0 CBADRP CCO[C@H]1C[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000521427792 373841557 /nfs/dbraw/zinc/84/15/57/373841557.db2.gz UBTNYUACQWTMQQ-MELADBBJSA-N 2 0 271.405 -0.248 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000521622323 373847407 /nfs/dbraw/zinc/84/74/07/373847407.db2.gz QKSIYHYCJCSASU-GARJFASQSA-N 2 0 258.366 -0.129 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](C)C1 ZINC000333893588 205811679 /nfs/dbraw/zinc/81/16/79/205811679.db2.gz YQYNOBYXYCNEKU-OBPIAQAESA-N 2 0 282.388 -0.699 20 0 CBADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000521986597 373855677 /nfs/dbraw/zinc/85/56/77/373855677.db2.gz VSJNEBPBVBRFIY-UHFFFAOYSA-N 2 0 282.388 -0.689 20 0 CBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000521997564 373856791 /nfs/dbraw/zinc/85/67/91/373856791.db2.gz NHZBSHSYYRLANZ-GFCCVEGCSA-N 2 0 283.372 -0.260 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N1CC[NH+](C)CC1 ZINC000522265191 373866317 /nfs/dbraw/zinc/86/63/17/373866317.db2.gz LHEKIAZQPLVZJH-OLZOCXBDSA-N 2 0 268.405 -0.310 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCCOCC2)C1 ZINC000527120826 373905375 /nfs/dbraw/zinc/90/53/75/373905375.db2.gz VKKLOKFSIBNYOU-GFCCVEGCSA-N 2 0 255.362 -0.223 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)NC1CC[NH+](C2CC2)CC1 ZINC000529288350 373997354 /nfs/dbraw/zinc/99/73/54/373997354.db2.gz KDCTWPXHMUCLGQ-LBPRGKRZSA-N 2 0 282.388 -0.099 20 0 CBADRP C[NH+]1CCC(NC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529282650 373997584 /nfs/dbraw/zinc/99/75/84/373997584.db2.gz KULPSZDPVSWTBZ-LLVKDONJSA-N 2 0 256.350 -0.632 20 0 CBADRP [NH3+]CCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529329492 374001353 /nfs/dbraw/zinc/00/13/53/374001353.db2.gz LOYBIFSFLIBCFI-LBPRGKRZSA-N 2 0 270.377 -0.255 20 0 CBADRP [NH3+]CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529329491 374002412 /nfs/dbraw/zinc/00/24/12/374002412.db2.gz LOYBIFSFLIBCFI-GFCCVEGCSA-N 2 0 270.377 -0.255 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2COCC[NH2+]2)CC[NH2+]1 ZINC000529339411 374007018 /nfs/dbraw/zinc/00/70/18/374007018.db2.gz PQBNRLFTUZFIQZ-VWYCJHECSA-N 2 0 256.350 -0.586 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N1CC[NH+](CC2CC2)CC1 ZINC000529375302 374015773 /nfs/dbraw/zinc/01/57/73/374015773.db2.gz PSQQKLAZGBXDRU-ZDUSSCGKSA-N 2 0 282.388 -0.288 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000529375822 374016866 /nfs/dbraw/zinc/01/68/66/374016866.db2.gz ACNHVWLAHAWCEF-IJLUTSLNSA-N 2 0 268.361 -0.774 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529376726 374017653 /nfs/dbraw/zinc/01/76/53/374017653.db2.gz SAVPENNNVUKBIJ-UPJWGTAASA-N 2 0 284.404 -0.044 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529378666 374019749 /nfs/dbraw/zinc/01/97/49/374019749.db2.gz XTOFVPOBJAIINS-QWHCGFSZSA-N 2 0 284.404 -0.042 20 0 CBADRP CN(C(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000529384040 374022070 /nfs/dbraw/zinc/02/20/70/374022070.db2.gz XWGPQQGHMYZQCT-WCQYABFASA-N 2 0 282.388 -0.147 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)C[C@H](C)[N@H+]1C ZINC000529383068 374022398 /nfs/dbraw/zinc/02/23/98/374022398.db2.gz FCMYELRLAUIAME-GRYCIOLGSA-N 2 0 270.377 -0.291 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529388399 374026796 /nfs/dbraw/zinc/02/67/96/374026796.db2.gz NWRXWKOOWGWWSC-HBNTYKKESA-N 2 0 256.350 -0.456 20 0 CBADRP CNC(=O)NC[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000530208442 374066716 /nfs/dbraw/zinc/06/67/16/374066716.db2.gz UBJRNKHWSVJGAY-LBPRGKRZSA-N 2 0 270.377 -0.384 20 0 CBADRP CC(=O)NCC(=O)N1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000530231707 374069261 /nfs/dbraw/zinc/06/92/61/374069261.db2.gz KYUWVRLTBUDHCV-AWEZNQCLSA-N 2 0 296.415 -0.344 20 0 CBADRP C[C@H](C(N)=O)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238669 374069316 /nfs/dbraw/zinc/06/93/16/374069316.db2.gz AFWACDPEIISTJB-ZYHUDNBSSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H](C(N)=O)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238668 374069489 /nfs/dbraw/zinc/06/94/89/374069489.db2.gz AFWACDPEIISTJB-PWSUYJOCSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)C[C@@H]1O ZINC000552157017 374261464 /nfs/dbraw/zinc/26/14/64/374261464.db2.gz AMSDNHXLIMGOQV-AGIUHOORSA-N 2 0 267.373 -0.254 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000583264195 374359008 /nfs/dbraw/zinc/35/90/08/374359008.db2.gz GOQOLLZBQOMIKC-IUCAKERBSA-N 2 0 259.350 -0.244 20 0 CBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)CCOC3C[NH2+]C3)[C@H]2C1 ZINC000583320410 374362044 /nfs/dbraw/zinc/36/20/44/374362044.db2.gz SJDHNZUCBGZMQR-AAEUAGOBSA-N 2 0 267.373 -0.083 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000583753369 374365368 /nfs/dbraw/zinc/36/53/68/374365368.db2.gz XMCIJFBIJVQGTN-QJPTWQEYSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH2+]CC(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000577952979 374346101 /nfs/dbraw/zinc/34/61/01/374346101.db2.gz LJGCRYLSICPALH-UHFFFAOYSA-N 2 0 286.357 -0.919 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000577964492 374346933 /nfs/dbraw/zinc/34/69/33/374346933.db2.gz NTJRVMNONSAZDV-NEPJUHHUSA-N 2 0 284.404 -0.314 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CCN2C1=O ZINC000577964061 374347280 /nfs/dbraw/zinc/34/72/80/374347280.db2.gz XHWFZLYOZQOBRW-IRCOFANPSA-N 2 0 280.372 -0.726 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000577955507 374347290 /nfs/dbraw/zinc/34/72/90/374347290.db2.gz WATSDRFDFQQDKK-WDEREUQCSA-N 2 0 271.361 -0.275 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000578069538 374350350 /nfs/dbraw/zinc/35/03/50/374350350.db2.gz IBUXUORHQWSAST-TUAOUCFPSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)[N@H+](C)C1CC1 ZINC000578051316 374350544 /nfs/dbraw/zinc/35/05/44/374350544.db2.gz MDHAVEFYLSMQSO-ZYHUDNBSSA-N 2 0 270.377 -0.243 20 0 CBADRP C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)[N@H+](C)C1CC1 ZINC000578051315 374350850 /nfs/dbraw/zinc/35/08/50/374350850.db2.gz MDHAVEFYLSMQSO-PWSUYJOCSA-N 2 0 270.377 -0.243 20 0 CBADRP CN1CC[NH+](CC2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC2)CC1 ZINC000643775537 374411594 /nfs/dbraw/zinc/41/15/94/374411594.db2.gz ZBLHZZIUQMBSNH-KGLIPLIRSA-N 2 0 280.416 -0.180 20 0 CBADRP O=C(CNC(=O)C12CCC[NH+]1CCC2)N1CC[NH2+]CC1 ZINC000644097885 374487617 /nfs/dbraw/zinc/48/76/17/374487617.db2.gz VJJKUYWAJVHRMC-UHFFFAOYSA-N 2 0 280.372 -0.837 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CC[NH2+]C1 ZINC000644141982 374492271 /nfs/dbraw/zinc/49/22/71/374492271.db2.gz XIGXLQWQPJQUDB-JBLDHEPKSA-N 2 0 259.325 -0.571 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000644141892 374492727 /nfs/dbraw/zinc/49/27/27/374492727.db2.gz JTKAKMJYNBDTQP-GARJFASQSA-N 2 0 259.325 -0.429 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H](O)CC(C)(C)C)CC1 ZINC000574519340 335026105 /nfs/dbraw/zinc/02/61/05/335026105.db2.gz ONKCIGMRHYBKBN-KGLIPLIRSA-N 2 0 287.448 -0.019 20 0 CBADRP CC(C)N1C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1=O ZINC000644536100 374590334 /nfs/dbraw/zinc/59/03/34/374590334.db2.gz XIQBSXZTAMATSR-ZIAGYGMSSA-N 2 0 298.431 -0.806 20 0 CBADRP COc1cccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)n1 ZINC000644532958 374590714 /nfs/dbraw/zinc/59/07/14/374590714.db2.gz JCDCTPSSICQJPG-AWEZNQCLSA-N 2 0 294.399 -0.212 20 0 CBADRP CN1CCC[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000644547944 374593423 /nfs/dbraw/zinc/59/34/23/374593423.db2.gz HRJQNTBDOPJFJU-KBPBESRZSA-N 2 0 270.421 -0.722 20 0 CBADRP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000644562915 374594973 /nfs/dbraw/zinc/59/49/73/374594973.db2.gz IHFGZMRMKNRBKF-HOCLYGCPSA-N 3 0 298.475 -0.085 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCSC2)CC1 ZINC000644578904 374596818 /nfs/dbraw/zinc/59/68/18/374596818.db2.gz BJYJTIYYYLZILT-VXGBXAGGSA-N 2 0 259.419 -0.310 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCSC2)CC1 ZINC000644578902 374597487 /nfs/dbraw/zinc/59/74/87/374597487.db2.gz BJYJTIYYYLZILT-NWDGAFQWSA-N 2 0 259.419 -0.310 20 0 CBADRP C[C@@H](O)C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000644669152 374608297 /nfs/dbraw/zinc/60/82/97/374608297.db2.gz MRPCCHWALQJRHP-CYBMUJFWSA-N 2 0 271.405 -0.247 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000645684666 374692174 /nfs/dbraw/zinc/69/21/74/374692174.db2.gz DGWFTLKNJORMQV-MNOVXSKESA-N 2 0 268.361 -0.935 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000645685305 374692471 /nfs/dbraw/zinc/69/24/71/374692471.db2.gz ZURFHVIVXYPSCH-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000645685210 374692680 /nfs/dbraw/zinc/69/26/80/374692680.db2.gz VKPWEEUGIWVFRY-RYUDHWBXSA-N 2 0 292.387 -0.146 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000646180953 374750454 /nfs/dbraw/zinc/75/04/54/374750454.db2.gz MSNLBWPABGHXFB-GFCCVEGCSA-N 2 0 271.361 -0.798 20 0 CBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)COCC[NH3+])CC1 ZINC000646190299 374752851 /nfs/dbraw/zinc/75/28/51/374752851.db2.gz LCVGSXSNOBMWTC-CYBMUJFWSA-N 2 0 286.420 -0.649 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCN1CC[NH2+]CC1 ZINC000646196332 374754050 /nfs/dbraw/zinc/75/40/50/374754050.db2.gz FXCDZKWTPMKVSY-WDEREUQCSA-N 2 0 257.382 -0.683 20 0 CBADRP C[C@@H]1COCCN1CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645932839 374712936 /nfs/dbraw/zinc/71/29/36/374712936.db2.gz MJEYRIWRPBNEFE-MNOVXSKESA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CC(C)(C)[NH3+] ZINC000645947084 374717615 /nfs/dbraw/zinc/71/76/15/374717615.db2.gz KVIJBOADBAYPOJ-LLVKDONJSA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000646003031 374724841 /nfs/dbraw/zinc/72/48/41/374724841.db2.gz OGFIVRHDPYCLJQ-NEPJUHHUSA-N 2 0 254.378 -0.428 20 0 CBADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH2+]1 ZINC000646009384 374726859 /nfs/dbraw/zinc/72/68/59/374726859.db2.gz GBADWKJXQVJBPH-UONOGXRCSA-N 2 0 296.415 -0.739 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000646012468 374727100 /nfs/dbraw/zinc/72/71/00/374727100.db2.gz POWKNZJSFVNJBG-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH2+]CCCC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009599 374727360 /nfs/dbraw/zinc/72/73/60/374727360.db2.gz WQRUNUGQXKNPIL-CQSZACIVSA-N 2 0 298.431 -0.491 20 0 CBADRP C[NH+]1CCC2(CC1)CN(CCN1C(=O)CNC1=O)CCO2 ZINC000646104743 374740455 /nfs/dbraw/zinc/74/04/55/374740455.db2.gz WVTSKSIUWIVBBJ-UHFFFAOYSA-N 2 0 296.371 -0.665 20 0 CBADRP CN(C)C(=O)CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102869 374740463 /nfs/dbraw/zinc/74/04/63/374740463.db2.gz VIDHSAFMLURZKE-UHFFFAOYSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C([C@H]1CC[NH2+]1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000646638574 374798565 /nfs/dbraw/zinc/79/85/65/374798565.db2.gz RYNUMGIVRGQNGA-NWDGAFQWSA-N 2 0 280.372 -0.981 20 0 CBADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCC(=O)N1CC[NH2+]CC1 ZINC000646637845 374798677 /nfs/dbraw/zinc/79/86/77/374798677.db2.gz OWTXLJLFJGOBSJ-YHWZYXNKSA-N 2 0 294.399 -0.545 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CCCC[NH2+]1 ZINC000646649835 374799590 /nfs/dbraw/zinc/79/95/90/374799590.db2.gz YLVIYKTXCYYFIZ-MNOVXSKESA-N 2 0 268.361 -0.887 20 0 CBADRP C[C@@H]1CCCN(C(=O)C[C@@H]2C[NH2+]CCO2)[C@@H]1C[NH3+] ZINC000646771603 374811133 /nfs/dbraw/zinc/81/11/33/374811133.db2.gz YXMFUZYGGNPMIL-IJLUTSLNSA-N 2 0 255.362 -0.049 20 0 CBADRP CC(C)([NH3+])CC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000646803538 374817621 /nfs/dbraw/zinc/81/76/21/374817621.db2.gz CJAZXBUMFXUELO-UHFFFAOYSA-N 2 0 267.337 -0.720 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000646844521 374825238 /nfs/dbraw/zinc/82/52/38/374825238.db2.gz VQMBLMLXCLLCLU-FIQHERPVSA-N 2 0 255.362 -0.051 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646336389 374771011 /nfs/dbraw/zinc/77/10/11/374771011.db2.gz QTMWYAPVIQIYGP-IJLUTSLNSA-N 2 0 253.346 -0.425 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC[NH2+]C1 ZINC000646338255 374771206 /nfs/dbraw/zinc/77/12/06/374771206.db2.gz GELASMNFLXJDCD-DYEKYZERSA-N 2 0 267.373 -0.177 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646336175 374771220 /nfs/dbraw/zinc/77/12/20/374771220.db2.gz KAMXUSDASAWSMX-SDDRHHMPSA-N 2 0 280.372 -0.935 20 0 CBADRP [NH3+]C1(CC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCC1 ZINC000646351089 374772297 /nfs/dbraw/zinc/77/22/97/374772297.db2.gz CWPCQFWPDOMBJP-GFCCVEGCSA-N 2 0 266.389 -0.236 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000646351728 374772311 /nfs/dbraw/zinc/77/23/11/374772311.db2.gz CXCUUFXGUCCTCH-ZIAGYGMSSA-N 2 0 280.416 -0.023 20 0 CBADRP [NH3+]C1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCC1 ZINC000646350365 374772645 /nfs/dbraw/zinc/77/26/45/374772645.db2.gz ZYHIZWIKGWHBAZ-NSHDSACASA-N 2 0 252.362 -0.626 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000646363601 374773566 /nfs/dbraw/zinc/77/35/66/374773566.db2.gz KSICZMGRUJPWJE-DOMZBBRYSA-N 2 0 294.399 -0.543 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000646363759 374774305 /nfs/dbraw/zinc/77/43/05/374774305.db2.gz LXMOFCDUIKRWCX-CHWSQXEVSA-N 2 0 268.405 -0.119 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC2(CC[NH2+]C2)CC1 ZINC000646372057 374775515 /nfs/dbraw/zinc/77/55/15/374775515.db2.gz FURAOXJJGKWRSX-NSHDSACASA-N 2 0 253.346 -0.423 20 0 CBADRP C[C@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)[NH+](C)C ZINC000646427272 374777970 /nfs/dbraw/zinc/77/79/70/374777970.db2.gz XLCJCPFFEPYMSG-GHMZBOCLSA-N 2 0 280.376 -0.290 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000646411978 374778036 /nfs/dbraw/zinc/77/80/36/374778036.db2.gz QFTWELLUFRSADO-LBPRGKRZSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)COCC[NH3+] ZINC000646433360 374779382 /nfs/dbraw/zinc/77/93/82/374779382.db2.gz SCYBUMDTWYBFMA-UHFFFAOYSA-N 2 0 280.372 -0.053 20 0 CBADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000646600397 374793969 /nfs/dbraw/zinc/79/39/69/374793969.db2.gz LELNAUVSZKYARI-WCQYABFASA-N 2 0 279.340 -0.200 20 0 CBADRP COCC1(CNC(=O)[C@@H]2C[NH2+]CCO2)CC[NH2+]CC1 ZINC000647037988 374866058 /nfs/dbraw/zinc/86/60/58/374866058.db2.gz LHOZVLWLJXZLDN-NSHDSACASA-N 2 0 271.361 -0.893 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CC12CC[NH2+]CC2 ZINC000647055339 374876357 /nfs/dbraw/zinc/87/63/57/374876357.db2.gz VSMRXDSXQROOIV-RYUDHWBXSA-N 2 0 294.399 -0.497 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647060481 374877131 /nfs/dbraw/zinc/87/71/31/374877131.db2.gz AXOPSIYHKINWCG-TUAOUCFPSA-N 2 0 253.346 -0.567 20 0 CBADRP C[C@@H](NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[C@H](C)[NH3+] ZINC000647068701 374879611 /nfs/dbraw/zinc/87/96/11/374879611.db2.gz KFNAEWVLTWHVSS-DJLDLDEBSA-N 2 0 251.334 -0.048 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000647083815 374882406 /nfs/dbraw/zinc/88/24/06/374882406.db2.gz SBICTJSFGFCUGX-WOPDTQHZSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)C(F)(F)F ZINC000647083812 374882941 /nfs/dbraw/zinc/88/29/41/374882941.db2.gz RYXKYIJXWNWTRZ-BQBZGAKWSA-N 2 0 255.240 -0.629 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000647086476 374883841 /nfs/dbraw/zinc/88/38/41/374883841.db2.gz QBKMAUNNPAVOPG-SDDRHHMPSA-N 2 0 255.362 -0.001 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000647085557 374883883 /nfs/dbraw/zinc/88/38/83/374883883.db2.gz RPXYVKKNGMMPFA-RUXDESIVSA-N 2 0 298.431 -0.317 20 0 CBADRP O=C([C@H]1C[NH2+]CCC1(F)F)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000647113494 374887161 /nfs/dbraw/zinc/88/71/61/374887161.db2.gz HLHFJGXDIARSMZ-KXUCPTDWSA-N 2 0 259.300 -0.091 20 0 CBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCO[C@@H](C[NH3+])C2)C1(C)C ZINC000646972397 374854233 /nfs/dbraw/zinc/85/42/33/374854233.db2.gz VLJYLAMVHSWOKO-WDMOLILDSA-N 2 0 285.388 -0.295 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CCC[NH2+]CC1 ZINC000646988225 374857160 /nfs/dbraw/zinc/85/71/60/374857160.db2.gz JTXLHLLBIARKDR-GHMZBOCLSA-N 2 0 268.361 -0.887 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)nn1 ZINC000646996522 374857279 /nfs/dbraw/zinc/85/72/79/374857279.db2.gz CZXATBDGIVZAGQ-ZJUUUORDSA-N 2 0 266.349 -0.373 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CCC[NH2+]CC1 ZINC000646988670 374857352 /nfs/dbraw/zinc/85/73/52/374857352.db2.gz XIDWISHICXGLEX-NWDGAFQWSA-N 2 0 282.388 -0.497 20 0 CBADRP CC[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000647014958 374860150 /nfs/dbraw/zinc/86/01/50/374860150.db2.gz DINMLCLKSRADJN-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[C@H]1[NH3+] ZINC000647014934 374860633 /nfs/dbraw/zinc/86/06/33/374860633.db2.gz CZDNKYYNLJKWOH-UTUOFQBUSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H]([NH3+])CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000647022844 374863141 /nfs/dbraw/zinc/86/31/41/374863141.db2.gz HZZKPHINZKRLJE-DCJFZGGZSA-N 2 0 255.362 -0.018 20 0 CBADRP C[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](C)C[NH2+]1 ZINC000574569217 335030080 /nfs/dbraw/zinc/03/00/80/335030080.db2.gz LFEMCNSJFHCQMS-VWYCJHECSA-N 2 0 268.361 -0.937 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000574568692 335030097 /nfs/dbraw/zinc/03/00/97/335030097.db2.gz WQKRGQNXHPDPKI-VIFPVBQESA-N 2 0 259.350 -0.419 20 0 CBADRP CN[C@H](C(=O)N[C@H](C)CN1CCOCC1)c1cnn(C)c1 ZINC000262532631 190056894 /nfs/dbraw/zinc/05/68/94/190056894.db2.gz MFBZLXHDDCPTFB-YPMHNXCESA-N 2 0 295.387 -0.483 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000424195490 284575892 /nfs/dbraw/zinc/57/58/92/284575892.db2.gz SWBJFTYAMAFDOB-YNEHKIRRSA-N 2 0 267.373 -0.177 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NCCNc1cc[nH+]cc1 ZINC000356312072 248232657 /nfs/dbraw/zinc/23/26/57/248232657.db2.gz OXPHRSMIOOYCLM-UHFFFAOYSA-N 2 0 295.387 -0.207 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[C@H](C)C[NH2+]1 ZINC000356397576 248246550 /nfs/dbraw/zinc/24/65/50/248246550.db2.gz XXYVYPRYAPUTKJ-JHJVBQTASA-N 2 0 296.415 -0.395 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)[C@H](C)C[NH2+]1 ZINC000356397577 248247530 /nfs/dbraw/zinc/24/75/30/248247530.db2.gz XXYVYPRYAPUTKJ-UPJWGTAASA-N 2 0 296.415 -0.395 20 0 CBADRP CN(C)C(=O)CC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000356964394 248305075 /nfs/dbraw/zinc/30/50/75/248305075.db2.gz YFJKJBUQSYCYPT-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000357242038 248337275 /nfs/dbraw/zinc/33/72/75/248337275.db2.gz LPWGWQGYVVTOMI-LBPRGKRZSA-N 2 0 282.388 -0.652 20 0 CBADRP CCN(C1CC[NH+](CCOCC[NH3+])CC1)S(C)(=O)=O ZINC000357101192 248323038 /nfs/dbraw/zinc/32/30/38/248323038.db2.gz GPEUVBNQXIYMJE-UHFFFAOYSA-N 2 0 293.433 -0.292 20 0 CBADRP C[C@@H](C[NH3+])C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000357240726 248337006 /nfs/dbraw/zinc/33/70/06/248337006.db2.gz KAXQGDYMXKQJMR-JTQLQIEISA-N 2 0 296.375 -0.906 20 0 CBADRP COC[C@@H]([NH3+])C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000357176242 248332634 /nfs/dbraw/zinc/33/26/34/248332634.db2.gz NEWMMCQZPXKSNT-FRRDWIJNSA-N 2 0 287.404 -0.034 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000357250287 248340835 /nfs/dbraw/zinc/34/08/35/248340835.db2.gz UAYXKZZMCMEXAW-NTZNESFSSA-N 2 0 267.373 -0.036 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357924791 248422619 /nfs/dbraw/zinc/42/26/19/248422619.db2.gz ORFSUCNPHFFAGZ-TUAOUCFPSA-N 2 0 273.377 -0.818 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1CCCCC[NH2+]1 ZINC000368749373 248770959 /nfs/dbraw/zinc/77/09/59/248770959.db2.gz DAJMZQGAWMSLIS-LBPRGKRZSA-N 2 0 254.378 -0.460 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@@H]1c1ccc(F)cc1 ZINC000366770443 248742288 /nfs/dbraw/zinc/74/22/88/248742288.db2.gz DFJQLNKLPKJNHH-REWJHTLYSA-N 2 0 293.342 -0.198 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419720510 284626487 /nfs/dbraw/zinc/62/64/87/284626487.db2.gz FOWXXPCMRPQFPG-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446366366 295153446 /nfs/dbraw/zinc/15/34/46/295153446.db2.gz IPYUHSVCSXSBNR-HBNTYKKESA-N 2 0 286.351 -0.858 20 0 CBADRP CC1(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[NH2+]CC1 ZINC000653129259 412884870 /nfs/dbraw/zinc/88/48/70/412884870.db2.gz GGCOLOOYZSBNSH-FZMZJTMJSA-N 2 0 267.373 -0.272 20 0 CBADRP Cn1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(=O)n(C)c1=O ZINC000346851426 218035774 /nfs/dbraw/zinc/03/57/74/218035774.db2.gz JUNJJHXPTQSRIZ-WCQGTBRESA-N 2 0 278.356 -0.747 20 0 CBADRP CCNS(=O)(=O)[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000346969037 218073245 /nfs/dbraw/zinc/07/32/45/218073245.db2.gz KBPUHPRIUKKVOI-GFCCVEGCSA-N 2 0 275.418 0.000 20 0 CBADRP CN(C)C(=O)CC[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000346976854 218075802 /nfs/dbraw/zinc/07/58/02/218075802.db2.gz KIAUTADXJWGHHH-UHFFFAOYSA-N 2 0 256.394 -0.180 20 0 CBADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000347175701 218145101 /nfs/dbraw/zinc/14/51/01/218145101.db2.gz QERGTQSBUPCQNA-LLVKDONJSA-N 2 0 280.372 -0.485 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000347186998 218150379 /nfs/dbraw/zinc/15/03/79/218150379.db2.gz FTIMUSCBQGIDQV-LBPRGKRZSA-N 2 0 274.409 -0.060 20 0 CBADRP COCC[N@H+](C)CCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278651439 194083995 /nfs/dbraw/zinc/08/39/95/194083995.db2.gz ALWDCQJETDCZCG-LLVKDONJSA-N 2 0 295.387 -0.205 20 0 CBADRP C[N@H+](CCNC(=O)CNC(=O)C[NH3+])C1CCCCC1 ZINC000347628087 218297058 /nfs/dbraw/zinc/29/70/58/218297058.db2.gz XFLZRFNZXUPSJU-UHFFFAOYSA-N 2 0 270.377 -0.558 20 0 CBADRP CN(C(=O)CCOC1C[NH2+]C1)C1CC[NH+](C)CC1 ZINC000347647999 218306059 /nfs/dbraw/zinc/30/60/59/218306059.db2.gz FXHRUXTVHGQZBV-UHFFFAOYSA-N 2 0 255.362 -0.083 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC000347653990 218308849 /nfs/dbraw/zinc/30/88/49/218308849.db2.gz HLLFZEAWBCPCOI-LLVKDONJSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H](CNC(=O)CNC(=O)C[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000347669014 218315046 /nfs/dbraw/zinc/31/50/46/218315046.db2.gz MGXYFSKUNQVRFF-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP CCN(CC1CC1)S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420463934 284837291 /nfs/dbraw/zinc/83/72/91/284837291.db2.gz XAKZMDVBERHXBM-UHFFFAOYSA-N 2 0 292.449 -0.037 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC2(C)CC[NH2+]CC2)CC1=O ZINC000193376354 207466720 /nfs/dbraw/zinc/46/67/20/207466720.db2.gz NFKJJJYSYDBCQI-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000417817640 207564127 /nfs/dbraw/zinc/56/41/27/207564127.db2.gz VFATUMFIHASLET-OLZOCXBDSA-N 2 0 268.405 -0.214 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)N[C@H](C)CC[NH3+] ZINC000418557844 207596806 /nfs/dbraw/zinc/59/68/06/207596806.db2.gz OZJIGZVHNWPOJV-LLVKDONJSA-N 2 0 260.382 -0.057 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000418994819 207630815 /nfs/dbraw/zinc/63/08/15/207630815.db2.gz ILCVONLCAYXMEY-UHFFFAOYSA-N 2 0 284.404 -0.296 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)CC[NH2+]C ZINC000418929565 207620948 /nfs/dbraw/zinc/62/09/48/207620948.db2.gz FPAFFDOUEILCKY-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000419010493 207634314 /nfs/dbraw/zinc/63/43/14/207634314.db2.gz YQJWGLJAVGEGLC-UHFFFAOYSA-N 2 0 284.404 -0.296 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(CCOC)CC[NH2+]C2)C1 ZINC000376720044 532979617 /nfs/dbraw/zinc/97/96/17/532979617.db2.gz KEQKDVLOSLPJNM-UKRRQHHQSA-N 2 0 299.415 -0.161 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](C[NH3+])OC ZINC000262823024 285020308 /nfs/dbraw/zinc/02/03/08/285020308.db2.gz GZZHSGBVDVILDM-VXGBXAGGSA-N 2 0 273.377 -0.423 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH3+] ZINC000417570841 285023776 /nfs/dbraw/zinc/02/37/76/285023776.db2.gz SGQICAOHTGHGHV-LLVKDONJSA-N 2 0 258.366 -0.255 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000419537206 207703060 /nfs/dbraw/zinc/70/30/60/207703060.db2.gz CKPLFTKTPDJIRJ-NWDGAFQWSA-N 2 0 298.431 -0.101 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000419551270 207705757 /nfs/dbraw/zinc/70/57/57/207705757.db2.gz VYKXFWYQPSHDAW-LLVKDONJSA-N 2 0 286.420 -0.195 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419577374 207711445 /nfs/dbraw/zinc/71/14/45/207711445.db2.gz CYVCPKRDYVBXMC-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419840110 207742470 /nfs/dbraw/zinc/74/24/70/207742470.db2.gz ILHKDAGODZSAAI-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000419864992 207749628 /nfs/dbraw/zinc/74/96/28/207749628.db2.gz PAMFKYHBGDGZLH-STQMWFEESA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1CCN(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])C1 ZINC000420446813 207821240 /nfs/dbraw/zinc/82/12/40/207821240.db2.gz BYFGRFFNUIDASQ-LLVKDONJSA-N 2 0 278.422 -0.427 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC[NH2+]C ZINC000423507621 207901728 /nfs/dbraw/zinc/90/17/28/207901728.db2.gz JUPKTIGSOTVPIX-UHFFFAOYSA-N 2 0 286.420 -0.146 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000423704681 207928256 /nfs/dbraw/zinc/92/82/56/207928256.db2.gz MWGSLQDAWYKDFX-NSHDSACASA-N 2 0 284.404 -0.265 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000423728045 207930994 /nfs/dbraw/zinc/93/09/94/207930994.db2.gz VRTSVTGZZOIBIJ-NSHDSACASA-N 2 0 277.372 -0.219 20 0 CBADRP CC(C)(C[NH3+])NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424076646 207959101 /nfs/dbraw/zinc/95/91/01/207959101.db2.gz MMHHMQKJNUJVQG-SECBINFHSA-N 2 0 266.349 -0.330 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424157961 207964306 /nfs/dbraw/zinc/96/43/06/207964306.db2.gz SBNRYMBYVIEYNY-ZJUUUORDSA-N 2 0 266.349 -0.330 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000427600250 208064246 /nfs/dbraw/zinc/06/42/46/208064246.db2.gz FHVJHBIUEGCYDJ-STQMWFEESA-N 2 0 268.405 -0.262 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000428194031 208081853 /nfs/dbraw/zinc/08/18/53/208081853.db2.gz JAYXNTXPYGOZAJ-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C1(C[NH3+])CCCC1 ZINC000428195026 208082501 /nfs/dbraw/zinc/08/25/01/208082501.db2.gz WLWNLGHAMDHVNX-UHFFFAOYSA-N 2 0 282.388 -0.604 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2CC[C@H]([NH2+]C)C2)CC1 ZINC000428437673 208087734 /nfs/dbraw/zinc/08/77/34/208087734.db2.gz FUOKGTXNKCFTSJ-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2CC[C@@H]([NH2+]C)C2)CC1 ZINC000428437672 208087811 /nfs/dbraw/zinc/08/78/11/208087811.db2.gz FUOKGTXNKCFTSJ-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000428645995 208094762 /nfs/dbraw/zinc/09/47/62/208094762.db2.gz UXJSVHDZFVMYRD-UHFFFAOYSA-N 2 0 297.447 -0.965 20 0 CBADRP CN1CCN(C(=O)CC[N@H+](C)CC(C)(CO)CO)CC1 ZINC000429677307 208127600 /nfs/dbraw/zinc/12/76/00/208127600.db2.gz WHXYVKPDPUXGKJ-UHFFFAOYSA-N 2 0 287.404 -0.927 20 0 CBADRP CN1CCN(C(=O)CC[N@H+](C)CC(C)(C)O)CC1 ZINC000429666371 208128294 /nfs/dbraw/zinc/12/82/94/208128294.db2.gz FJZSHDXWNSSEPZ-UHFFFAOYSA-N 2 0 257.378 -0.147 20 0 CBADRP COC(=O)[C@H](C)C[N@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000429682887 208129151 /nfs/dbraw/zinc/12/91/51/208129151.db2.gz HLFOKVVCZVPJHR-GFCCVEGCSA-N 2 0 285.388 -0.109 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429020864 208108392 /nfs/dbraw/zinc/10/83/92/208108392.db2.gz OCPDQDWDENAWJW-CYBMUJFWSA-N 2 0 268.361 -0.140 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[C@H]1[NH3+] ZINC000429166133 208111154 /nfs/dbraw/zinc/11/11/54/208111154.db2.gz UGCZKEIEPHMTBY-JHJVBQTASA-N 2 0 296.415 -0.408 20 0 CBADRP CNS(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000429251184 208117427 /nfs/dbraw/zinc/11/74/27/208117427.db2.gz HLKVTXXCVBCAOM-UHFFFAOYSA-N 2 0 280.438 -0.344 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000430717236 208174849 /nfs/dbraw/zinc/17/48/49/208174849.db2.gz YHZHBIZRNQZHLN-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(C[NH3+])CC1 ZINC000430645534 208167929 /nfs/dbraw/zinc/16/79/29/208167929.db2.gz CQGCSXHZLVPWLS-LLVKDONJSA-N 2 0 296.415 -0.217 20 0 CBADRP COCCOCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430636399 208168336 /nfs/dbraw/zinc/16/83/36/208168336.db2.gz YLQWECAAHOHAOE-CQSZACIVSA-N 2 0 299.415 -0.207 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000430635055 208169379 /nfs/dbraw/zinc/16/93/79/208169379.db2.gz FVFLUMFSDWBKSV-ZDUSSCGKSA-N 2 0 296.415 -0.310 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000430636473 208169539 /nfs/dbraw/zinc/16/95/39/208169539.db2.gz JGNZRFZRUAMROK-YPMHNXCESA-N 2 0 294.399 -0.463 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000430711407 208175819 /nfs/dbraw/zinc/17/58/19/208175819.db2.gz FHKJAJJXPPNPBL-DGCLKSJQSA-N 2 0 255.362 -0.177 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000430717233 208176049 /nfs/dbraw/zinc/17/60/49/208176049.db2.gz YHZHBIZRNQZHLN-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000431012768 285075606 /nfs/dbraw/zinc/07/56/06/285075606.db2.gz CQEXYKWMHGCDEW-CYBMUJFWSA-N 2 0 286.420 -0.778 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)C[C@@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000430741859 208177903 /nfs/dbraw/zinc/17/79/03/208177903.db2.gz FFCHTZBJQULUQA-MGPQQGTHSA-N 2 0 299.415 -0.020 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)COC2C[NH2+]C2)C1 ZINC000430755153 208179076 /nfs/dbraw/zinc/17/90/76/208179076.db2.gz PKJHFORUNXSEBR-NSHDSACASA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)COC2C[NH2+]C2)CC1 ZINC000430764968 208179193 /nfs/dbraw/zinc/17/91/93/208179193.db2.gz HQMXSHAPTOSUDL-UHFFFAOYSA-N 2 0 284.404 -0.883 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000430751926 208179640 /nfs/dbraw/zinc/17/96/40/208179640.db2.gz DCBOCBZZCVWKKE-NSHDSACASA-N 2 0 257.378 -0.195 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000430776885 208182349 /nfs/dbraw/zinc/18/23/49/208182349.db2.gz LGSGTBKVFBROSR-AWEZNQCLSA-N 2 0 298.431 -0.493 20 0 CBADRP CCC[NH+]1CCC(NC(=O)COC2C[NH2+]C2)CC1 ZINC000430852831 208183857 /nfs/dbraw/zinc/18/38/57/208183857.db2.gz FUNCYDNBRLHGST-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000430813879 208185090 /nfs/dbraw/zinc/18/50/90/208185090.db2.gz GKWKLYWAUJBWSE-LBPRGKRZSA-N 2 0 267.373 -0.081 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000430903280 208189170 /nfs/dbraw/zinc/18/91/70/208189170.db2.gz HDDQHLYJSRVGSG-QWRGUYRKSA-N 2 0 268.361 -0.948 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCC[NH3+])C1 ZINC000430897730 208189731 /nfs/dbraw/zinc/18/97/31/208189731.db2.gz QKHVQFPJPOGZKK-LLVKDONJSA-N 2 0 270.377 -0.571 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000430896937 208189968 /nfs/dbraw/zinc/18/99/68/208189968.db2.gz JLMOHWMCGIYOSV-GHMZBOCLSA-N 2 0 270.377 -0.702 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000430897489 208190528 /nfs/dbraw/zinc/19/05/28/208190528.db2.gz NWNBYPABOPRGGB-RYUDHWBXSA-N 2 0 282.388 -0.701 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000430926147 208191723 /nfs/dbraw/zinc/19/17/23/208191723.db2.gz NJDNTHZRFCBZCO-LBPRGKRZSA-N 2 0 284.404 -0.264 20 0 CBADRP Cn1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(=O)n(C)c1=O ZINC000430934531 208192676 /nfs/dbraw/zinc/19/26/76/208192676.db2.gz PFYZDIXDXJBLIZ-UHFFFAOYSA-N 2 0 292.383 -0.341 20 0 CBADRP C[NH2+]CCCC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000430999187 208195219 /nfs/dbraw/zinc/19/52/19/208195219.db2.gz BGVGEIPXGAEWNS-GFCCVEGCSA-N 2 0 256.394 -0.262 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H]([NH3+])CCSC)CC1 ZINC000431003602 208197003 /nfs/dbraw/zinc/19/70/03/208197003.db2.gz PMLWTVJMFWUTHW-GFCCVEGCSA-N 2 0 288.461 -0.180 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000431013596 208197672 /nfs/dbraw/zinc/19/76/72/208197672.db2.gz YWBKMFMZYNUOKI-AGIUHOORSA-N 2 0 268.405 -0.134 20 0 CBADRP COCC[NH2+]CCNC(=O)NCC[N@H+]1CC=CCC1 ZINC000418514273 285079749 /nfs/dbraw/zinc/07/97/49/285079749.db2.gz WSCAQMBEVROLQA-UHFFFAOYSA-N 2 0 270.377 -0.217 20 0 CBADRP C[NH+]1CCN(c2ncccc2CNC(=O)C[NH3+])CC1 ZINC000431021306 208200303 /nfs/dbraw/zinc/20/03/03/208200303.db2.gz BZCQTIYHRVYNDI-UHFFFAOYSA-N 2 0 263.345 -0.592 20 0 CBADRP C[NH+]1CCN(CCNC(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000431007786 208200453 /nfs/dbraw/zinc/20/04/53/208200453.db2.gz HPZSAKVSGUIUJE-CYBMUJFWSA-N 2 0 284.404 -0.881 20 0 CBADRP O=C1CNC(=O)N1CC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431033143 208201218 /nfs/dbraw/zinc/20/12/18/208201218.db2.gz NIQOENQCISUXLH-UHFFFAOYSA-N 2 0 266.345 -0.386 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)C[C@@H](C)[NH3+])CC1 ZINC000431031448 208202350 /nfs/dbraw/zinc/20/23/50/208202350.db2.gz ZPAFDVMANSWBIP-VXGBXAGGSA-N 2 0 256.394 -0.134 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000431027773 208202696 /nfs/dbraw/zinc/20/26/96/208202696.db2.gz KVVFKDTYXCBGLH-ZIAGYGMSSA-N 2 0 298.431 -0.493 20 0 CBADRP COC(=O)CNC(=O)CN1CC[C@H](Oc2ccncc2)C1 ZINC000431159784 208203657 /nfs/dbraw/zinc/20/36/57/208203657.db2.gz RAYVCQPKPQNPJM-LBPRGKRZSA-N 2 0 293.323 -0.176 20 0 CBADRP CC(C)[C@@H](C[NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000433174751 208242154 /nfs/dbraw/zinc/24/21/54/208242154.db2.gz KHGDNFYPLPJZHS-CHWSQXEVSA-N 2 0 298.431 -0.079 20 0 CBADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCNC(=O)C2)CC1 ZINC000433120114 208236814 /nfs/dbraw/zinc/23/68/14/208236814.db2.gz XOYMGAJAPJDXSM-UHFFFAOYSA-N 2 0 268.361 -0.852 20 0 CBADRP CCNC(=O)[C@H](C)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433126038 208237056 /nfs/dbraw/zinc/23/70/56/208237056.db2.gz AYDMCRXYZKKJRZ-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP CN1C[C@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1=O ZINC000433124802 208237179 /nfs/dbraw/zinc/23/71/79/208237179.db2.gz GAEWDLDWTRAKEX-GFCCVEGCSA-N 2 0 282.388 -0.463 20 0 CBADRP COCCOCCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433137348 208238478 /nfs/dbraw/zinc/23/84/78/208238478.db2.gz NYMYMJGWRAJZCO-UHFFFAOYSA-N 2 0 287.404 -0.031 20 0 CBADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H]2CCCCNC2=O)CC1 ZINC000433164657 208239166 /nfs/dbraw/zinc/23/91/66/208239166.db2.gz FWVZJRXFOZVCKO-CYBMUJFWSA-N 2 0 296.415 -0.025 20 0 CBADRP Cn1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c(=O)n(C)c1=O ZINC000435445179 208279627 /nfs/dbraw/zinc/27/96/27/208279627.db2.gz CVZLCZNLWYAWET-GFCCVEGCSA-N 2 0 280.372 -0.342 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000434698201 208265241 /nfs/dbraw/zinc/26/52/41/208265241.db2.gz DDFHLMAJRGVRSW-NHCYSSNCSA-N 2 0 270.377 -0.705 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)CC1 ZINC000434699989 208265682 /nfs/dbraw/zinc/26/56/82/208265682.db2.gz PVIMNSNIEYJDNS-QWHCGFSZSA-N 2 0 268.405 -0.167 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000434698198 208265819 /nfs/dbraw/zinc/26/58/19/208265819.db2.gz DDFHLMAJRGVRSW-FOGDFJRCSA-N 2 0 270.377 -0.705 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)C[NH2+]C[C@H]2CCCO2)[C@H]1C ZINC000434711619 208268630 /nfs/dbraw/zinc/26/86/30/208268630.db2.gz QGMMCRWMZHYDFN-SDDRHHMPSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H]1CCCN(C(=O)CCOC2C[NH2+]C2)[C@@H]1C[NH3+] ZINC000349026742 296368298 /nfs/dbraw/zinc/36/82/98/296368298.db2.gz KSKPWLHJHRGCGS-ZYHUDNBSSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000442765400 208365996 /nfs/dbraw/zinc/36/59/96/208365996.db2.gz JLPXHNKAQGRYDQ-VXGBXAGGSA-N 2 0 255.362 -0.096 20 0 CBADRP Cn1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(=O)n(C)c1=O ZINC000442920577 208369020 /nfs/dbraw/zinc/36/90/20/208369020.db2.gz HDFYPPMKKKQMPI-LLVKDONJSA-N 2 0 280.372 -0.355 20 0 CBADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)C(=O)N(C)C ZINC000443055340 208378655 /nfs/dbraw/zinc/37/86/55/208378655.db2.gz BGLBQFYRKWNVQD-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP O=C(NC1C[NH2+]C1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000574863204 335052997 /nfs/dbraw/zinc/05/29/97/335052997.db2.gz GSWUBTVBFSYDAY-ZDUSSCGKSA-N 2 0 294.399 -0.449 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419576786 285202811 /nfs/dbraw/zinc/20/28/11/285202811.db2.gz CHEVZSIFOQPHFU-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420088876 285256116 /nfs/dbraw/zinc/25/61/16/285256116.db2.gz ISRVSXMEKVDAJU-LLVKDONJSA-N 2 0 282.388 -0.416 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354664333 220872030 /nfs/dbraw/zinc/87/20/30/220872030.db2.gz DNEPAONXPWJJAQ-AVGNSLFASA-N 2 0 296.415 -0.122 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354699685 220888201 /nfs/dbraw/zinc/88/82/01/220888201.db2.gz VYXURGGTMYIEDE-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC(=O)NC ZINC000355976447 285275715 /nfs/dbraw/zinc/27/57/15/285275715.db2.gz AODSKXUNYVSGEZ-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)NC ZINC000429246185 285282647 /nfs/dbraw/zinc/28/26/47/285282647.db2.gz FTIWCWNSSJPOAY-LBPRGKRZSA-N 2 0 292.449 -0.202 20 0 CBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000236882192 285318172 /nfs/dbraw/zinc/31/81/72/285318172.db2.gz LMSLUGXWRHVLFJ-UONOGXRCSA-N 2 0 282.432 -0.014 20 0 CBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](C)[NH3+])CC1 ZINC000340184136 285322276 /nfs/dbraw/zinc/32/22/76/285322276.db2.gz PYUZXEACNXOTIP-NEPJUHHUSA-N 2 0 256.394 -0.277 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000575057643 335060313 /nfs/dbraw/zinc/06/03/13/335060313.db2.gz FQGDHMZNLUFNCP-ZDUSSCGKSA-N 2 0 280.416 -0.212 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000575058746 335060427 /nfs/dbraw/zinc/06/04/27/335060427.db2.gz SFKOBZBLVCKOJR-WOPDTQHZSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@@H]1C[NH3+] ZINC000333864694 296521120 /nfs/dbraw/zinc/52/11/20/296521120.db2.gz STMYDIZGPUYVSL-LVEVGFFFSA-N 2 0 252.362 -0.170 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333893045 296579819 /nfs/dbraw/zinc/57/98/19/296579819.db2.gz YNEXPIQIBRRBPO-WYUUTHIRSA-N 2 0 252.362 -0.012 20 0 CBADRP CC[C@]1(C(=O)NC[C@H]2C[NH2+]CCN2C)CCC[NH2+]1 ZINC000449696763 288428153 /nfs/dbraw/zinc/42/81/53/288428153.db2.gz LEVOSBJLYRYPFU-DGCLKSJQSA-N 2 0 254.378 -0.462 20 0 CBADRP CCOC[C@@H](O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182968853 286140730 /nfs/dbraw/zinc/14/07/30/286140730.db2.gz DSICHNOZXUOPEZ-AWEZNQCLSA-N 2 0 273.421 -0.047 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419887920 289368509 /nfs/dbraw/zinc/36/85/09/289368509.db2.gz JSMLUWPRCQNNQW-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424160385 292349653 /nfs/dbraw/zinc/34/96/53/292349653.db2.gz UJJAXTWFWKWNFN-NEPJUHHUSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000516350490 286845982 /nfs/dbraw/zinc/84/59/82/286845982.db2.gz MIBDCQJFQYDQOH-AVGNSLFASA-N 2 0 285.388 -0.912 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC2([NH3+])CCC2)[C@H](C)C1 ZINC000332457754 287090328 /nfs/dbraw/zinc/09/03/28/287090328.db2.gz ICSHVMVOCFFYDZ-VXGBXAGGSA-N 2 0 284.404 -0.036 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC2([NH3+])CCC2)C[C@@H]1C ZINC000332490935 287090355 /nfs/dbraw/zinc/09/03/55/287090355.db2.gz RZRDMQNTWPCFRW-NWDGAFQWSA-N 2 0 284.404 -0.036 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C[NH+]1CCCCC1 ZINC000419897357 298679883 /nfs/dbraw/zinc/67/98/83/298679883.db2.gz YPWGSWRFAIJZPI-CHWSQXEVSA-N 2 0 296.415 -0.297 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000662749227 413990936 /nfs/dbraw/zinc/99/09/36/413990936.db2.gz ATIHHDHNONYAPZ-AVGNSLFASA-N 2 0 267.373 -0.096 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662747174 413991769 /nfs/dbraw/zinc/99/17/69/413991769.db2.gz UMGFQEZKQDMJQG-GRYCIOLGSA-N 2 0 255.362 -0.192 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662750969 413993915 /nfs/dbraw/zinc/99/39/15/413993915.db2.gz WPOFKBQZGXDMIX-JHJVBQTASA-N 2 0 287.404 -0.177 20 0 CBADRP CN[C@@H](C(=O)NCC[N@H+](C)CCCOC)c1cnn(C)c1 ZINC000285750051 196386502 /nfs/dbraw/zinc/38/65/02/196386502.db2.gz JBWKRVJLNQDNMR-CYBMUJFWSA-N 2 0 297.403 -0.235 20 0 CBADRP O=C(NCCC[NH+]1CCCCC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000037467353 173226566 /nfs/dbraw/zinc/22/65/66/173226566.db2.gz XYDKLNHCZGZPMM-NWDGAFQWSA-N 2 0 255.362 -0.299 20 0 CBADRP CCC[NH+]1CCC(N(C)C(=O)CNC(=O)C[NH3+])CC1 ZINC000038100729 174115714 /nfs/dbraw/zinc/11/57/14/174115714.db2.gz KWTCESZOPVCJNF-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP C[C@@H]1CCC[C@](CNC(=O)CNC(=O)C[NH3+])([NH+](C)C)C1 ZINC000040670437 174368385 /nfs/dbraw/zinc/36/83/85/174368385.db2.gz NAHWFDNBSARNGV-RISCZKNCSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH+](C)CC1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000043799379 175106119 /nfs/dbraw/zinc/10/61/19/175106119.db2.gz LTHMEMDIVZZFKB-GFCCVEGCSA-N 2 0 255.362 -0.225 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000353460137 287321826 /nfs/dbraw/zinc/32/18/26/287321826.db2.gz NWEJSSRXKUIKRF-XQQFMLRXSA-N 2 0 268.405 -0.264 20 0 CBADRP C[C@H](C(N)=O)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000076682739 177059345 /nfs/dbraw/zinc/05/93/45/177059345.db2.gz NCZJPWXCJQLOSL-LLVKDONJSA-N 2 0 255.362 -0.096 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCCC[NH3+])C1 ZINC000419410952 287348711 /nfs/dbraw/zinc/34/87/11/287348711.db2.gz PFYJULKTKWFRGK-LLVKDONJSA-N 2 0 270.377 -0.701 20 0 CBADRP C[C@@H](CNC(=O)[C@H](C)[NH+](C)C)N(C)C(=O)[C@H](C)[NH+](C)C ZINC000078736946 544426174 /nfs/dbraw/zinc/42/61/74/544426174.db2.gz PNEUDLFEVGTLRS-SRVKXCTJSA-N 2 0 286.420 -0.150 20 0 CBADRP CC(C)C[NH+]1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000089699728 544436058 /nfs/dbraw/zinc/43/60/58/544436058.db2.gz FDSUZWASEXAGPL-UHFFFAOYSA-N 2 0 280.376 -0.349 20 0 CBADRP C[NH+](C)C[C@@H]1CCCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000089701089 544438015 /nfs/dbraw/zinc/43/80/15/544438015.db2.gz NMLSEFGMWIRYLN-JTQLQIEISA-N 2 0 266.349 -0.597 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)nn1 ZINC000089709155 544438300 /nfs/dbraw/zinc/43/83/00/544438300.db2.gz QRCVHZNHSVBLMQ-GFCCVEGCSA-N 2 0 292.387 -0.063 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000091392629 544439992 /nfs/dbraw/zinc/43/99/92/544439992.db2.gz IAAACBJRQCAVQR-GFCCVEGCSA-N 2 0 254.378 -0.556 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000092955652 544440665 /nfs/dbraw/zinc/44/06/65/544440665.db2.gz GTEJOTJXJKMDJJ-STQMWFEESA-N 2 0 268.405 -0.262 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)CN3CC[NH2+]CC3)CC[C@H]21 ZINC000227333992 544494514 /nfs/dbraw/zinc/49/45/14/544494514.db2.gz DTYIEBBCLNODOJ-UONOGXRCSA-N 2 0 280.416 -0.166 20 0 CBADRP C[NH+](C)C[C@H]1CCCN1C(=O)COC1(C)C[NH2+]C1 ZINC000161166827 544475088 /nfs/dbraw/zinc/47/50/88/544475088.db2.gz NVDYAEBOTOYRJC-LLVKDONJSA-N 2 0 255.362 -0.083 20 0 CBADRP COCC[NH2+]CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322460615 544530467 /nfs/dbraw/zinc/53/04/67/544530467.db2.gz XNLGZYHBZCBQAW-YOGCLGLASA-N 2 0 255.362 -0.036 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649593 419410168 /nfs/dbraw/zinc/41/01/68/419410168.db2.gz VNWMVLSLFONSHQ-GFCCVEGCSA-N 2 0 266.389 -0.508 20 0 CBADRP C[N@@H+]1CC[C@@]2(C1)CCCN(CCNS(C)(=O)=O)C2 ZINC000660659726 419420265 /nfs/dbraw/zinc/42/02/65/419420265.db2.gz QEIGCUSUDWMUKR-GFCCVEGCSA-N 2 0 275.418 -0.047 20 0 CBADRP CC(C)[C@H](CNC(=O)CC[NH3+])[NH+]1CCN(C)CC1 ZINC000040770530 419416706 /nfs/dbraw/zinc/41/67/06/419416706.db2.gz PNXHQNYESOLOPE-LBPRGKRZSA-N 2 0 256.394 -0.277 20 0 CBADRP C[NH2+]Cc1cn(CCN(C)CCC[NH+](C)C)nn1 ZINC000111150037 419486682 /nfs/dbraw/zinc/48/66/82/419486682.db2.gz IJEPXRVAXBBXAG-UHFFFAOYSA-N 3 0 254.382 -0.119 20 0 CBADRP NC(=O)C[N@H+](CCN1CC[NH2+]CC1)C1CCCC1 ZINC000043499921 419427451 /nfs/dbraw/zinc/42/74/51/419427451.db2.gz UWJWSZCJBIVXIV-UHFFFAOYSA-N 2 0 254.378 -0.379 20 0 CBADRP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](CCO)C[C@@H]1C ZINC000660761449 419434533 /nfs/dbraw/zinc/43/45/33/419434533.db2.gz YVFVMAFWXJMDIM-UONOGXRCSA-N 2 0 273.421 -0.314 20 0 CBADRP CC[C@@H]1COCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298683 419456943 /nfs/dbraw/zinc/45/69/43/419456943.db2.gz KPIGPKBSEVVXCZ-GFCCVEGCSA-N 2 0 255.362 -0.081 20 0 CBADRP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661143612 419469931 /nfs/dbraw/zinc/46/99/31/419469931.db2.gz UZNUSLSSFHQODT-KGLIPLIRSA-N 2 0 297.403 -0.461 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@]2(C)C[NH2+]CCO2)n1 ZINC000638089414 419527339 /nfs/dbraw/zinc/52/73/39/419527339.db2.gz QXSCAWHTRFARDN-ZDUSSCGKSA-N 2 0 281.360 -0.238 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC([NH+](C)C)CC1 ZINC000388778736 544576667 /nfs/dbraw/zinc/57/66/67/544576667.db2.gz MUFNISUSOSEDGD-CQSZACIVSA-N 2 0 273.421 -0.049 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394374191 544578797 /nfs/dbraw/zinc/57/87/97/544578797.db2.gz RXUHDJJUNFUHNP-AVGNSLFASA-N 2 0 268.405 -0.134 20 0 CBADRP COC[C@](C)(CCO)[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662259188 419568556 /nfs/dbraw/zinc/56/85/56/419568556.db2.gz RNJCSCNMDSJBIC-NEPJUHHUSA-N 2 0 258.362 -0.116 20 0 CBADRP COC[C@H](C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)OC ZINC000662243567 419558977 /nfs/dbraw/zinc/55/89/77/419558977.db2.gz NCXBGLAKNZIVBG-KBPBESRZSA-N 2 0 299.415 -0.208 20 0 CBADRP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252152 419562297 /nfs/dbraw/zinc/56/22/97/419562297.db2.gz KPZGHSLTICUOFZ-QWRGUYRKSA-N 2 0 253.346 -0.282 20 0 CBADRP O=C1NCCN1[C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253712 419563085 /nfs/dbraw/zinc/56/30/85/419563085.db2.gz JZTTVTJLKAPNFK-CHWSQXEVSA-N 2 0 294.399 -0.003 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000389757150 544577799 /nfs/dbraw/zinc/57/77/99/544577799.db2.gz RRNGXKRQBURMGT-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000389757152 544577913 /nfs/dbraw/zinc/57/79/13/544577913.db2.gz RRNGXKRQBURMGT-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP Cn1ccnc1[C@H]1C[NH2+]CCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662274301 419566580 /nfs/dbraw/zinc/56/65/80/419566580.db2.gz UPMPNHAJVSQHCI-QWHCGFSZSA-N 2 0 291.399 -0.113 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662261645 419566746 /nfs/dbraw/zinc/56/67/46/419566746.db2.gz LNWSBMRQFDGVGA-CQSZACIVSA-N 2 0 296.415 -0.785 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)c2cn(CC[NH3+])nn2)C[N@@H+]1C1CC1 ZINC000662539654 419632499 /nfs/dbraw/zinc/63/24/99/419632499.db2.gz GWAOCUOFAWPTBB-ZJUUUORDSA-N 2 0 278.360 -0.408 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394376555 544579660 /nfs/dbraw/zinc/57/96/60/544579660.db2.gz UBTJTQGDEDNRTC-ZJUUUORDSA-N 2 0 276.331 -0.525 20 0 CBADRP [NH3+][C@H](CC(F)F)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394376364 544579908 /nfs/dbraw/zinc/57/99/08/544579908.db2.gz UBTJTQGDEDNRTC-NXEZZACHSA-N 2 0 276.331 -0.525 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000647723897 419638216 /nfs/dbraw/zinc/63/82/16/419638216.db2.gz AAUYWHAIBDONAN-MDZLAQPJSA-N 2 0 284.404 -0.410 20 0 CBADRP O=C(C[C@H]1CC[NH2+]C1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394388153 544580319 /nfs/dbraw/zinc/58/03/19/544580319.db2.gz YBDQHIFFZJNSEB-OLZOCXBDSA-N 2 0 266.389 -0.508 20 0 CBADRP NC(=O)c1cccc(CNC2(CO)CC[NH2+]CC2)c1 ZINC000662285378 419572696 /nfs/dbraw/zinc/57/26/96/419572696.db2.gz FDSSWYWKZRCISD-UHFFFAOYSA-N 2 0 263.341 -0.010 20 0 CBADRP C[C@@H]1CCCN(C(=O)CNC2(CO)CC[NH2+]CC2)C1 ZINC000662286008 419572762 /nfs/dbraw/zinc/57/27/62/419572762.db2.gz FXMHVDMXIQVBBT-GFCCVEGCSA-N 2 0 269.389 -0.051 20 0 CBADRP CCN1CC[C@@H]([N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000662284296 419573852 /nfs/dbraw/zinc/57/38/52/419573852.db2.gz XBKIQXUQAFXNLA-QWHCGFSZSA-N 2 0 292.387 -0.006 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@H]1CCCC[NH2+]1 ZINC000394383773 544580718 /nfs/dbraw/zinc/58/07/18/544580718.db2.gz FURZUBSGPUZNSJ-QWHCGFSZSA-N 2 0 266.389 -0.365 20 0 CBADRP CN1CCC[C@@H]([N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1=O ZINC000662277527 419574688 /nfs/dbraw/zinc/57/46/88/419574688.db2.gz VODMYMPWKOBIHS-QWHCGFSZSA-N 2 0 266.389 -0.413 20 0 CBADRP OCC1(NCCN2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]CC1 ZINC000662284093 419575869 /nfs/dbraw/zinc/57/58/69/419575869.db2.gz LFJXDMSXBBDKTR-BETUJISGSA-N 2 0 269.389 -0.446 20 0 CBADRP [NH3+]CCN(CCCC1CC[NH2+]CC1)C[C@H](O)CO ZINC000662287458 419576585 /nfs/dbraw/zinc/57/65/85/419576585.db2.gz AIGSVFWMZPMGDB-ZDUSSCGKSA-N 2 0 259.394 -0.620 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000237045249 419577004 /nfs/dbraw/zinc/57/70/04/419577004.db2.gz GMFRFWOQCDQJNB-RYUDHWBXSA-N 2 0 273.377 -0.552 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394381427 544581012 /nfs/dbraw/zinc/58/10/12/544581012.db2.gz RTENYEQVCAVWAB-OLZOCXBDSA-N 2 0 298.456 -0.412 20 0 CBADRP O=C(C[C@H]1CC[NH2+]C1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394388152 544581109 /nfs/dbraw/zinc/58/11/09/544581109.db2.gz YBDQHIFFZJNSEB-CHWSQXEVSA-N 2 0 266.389 -0.508 20 0 CBADRP COC1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CC[NH2+]CC1 ZINC000394406400 544581244 /nfs/dbraw/zinc/58/12/44/544581244.db2.gz LFDZATXDOXJUAE-CYBMUJFWSA-N 2 0 296.415 -0.739 20 0 CBADRP CC(=O)N[C@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662298295 419580385 /nfs/dbraw/zinc/58/03/85/419580385.db2.gz BDCNIMQNUWCLKC-NWDGAFQWSA-N 2 0 253.346 -0.282 20 0 CBADRP C[C@H](CNC(=O)[C@]1(C)CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000237476954 419582032 /nfs/dbraw/zinc/58/20/32/419582032.db2.gz PHYIFCJUUJTXFT-TZMCWYRMSA-N 2 0 268.405 -0.262 20 0 CBADRP O=C(C[NH2+]CC1CC1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394388147 544581663 /nfs/dbraw/zinc/58/16/63/544581663.db2.gz XYZGZKOPXIENEH-CYBMUJFWSA-N 2 0 266.389 -0.508 20 0 CBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000662317747 419583912 /nfs/dbraw/zinc/58/39/12/419583912.db2.gz RPCPONRKGOQLBL-OCCSQVGLSA-N 2 0 269.389 -0.099 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CCC[NH2+]1 ZINC000394382531 544581864 /nfs/dbraw/zinc/58/18/64/544581864.db2.gz RYIGJTTXXFRJBD-NEPJUHHUSA-N 2 0 252.362 -0.756 20 0 CBADRP CN(C)S(=O)(=O)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000662304541 419584403 /nfs/dbraw/zinc/58/44/03/419584403.db2.gz ALPQZUDATDXRTO-GFCCVEGCSA-N 2 0 290.433 -0.590 20 0 CBADRP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCN1S(C)(=O)=O ZINC000662310268 419584558 /nfs/dbraw/zinc/58/45/58/419584558.db2.gz JBTGKMUVADGEMK-NEPJUHHUSA-N 2 0 275.418 -0.048 20 0 CBADRP C[C@@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)[C@@H]1CCC[NH3+] ZINC000662314105 419584632 /nfs/dbraw/zinc/58/46/32/419584632.db2.gz MPHWTTOYAGEDSJ-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CC[NH2+]C1 ZINC000394396601 544581967 /nfs/dbraw/zinc/58/19/67/544581967.db2.gz BPTBZFSFQHZWFA-UKRRQHHQSA-N 2 0 296.415 -0.881 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)C1CC[NH2+]CC1 ZINC000394386606 544582195 /nfs/dbraw/zinc/58/21/95/544582195.db2.gz QISUDFYFGPUIPG-ZDUSSCGKSA-N 2 0 266.389 -0.508 20 0 CBADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)C[C@@H]1COCCO1 ZINC000662306694 419586689 /nfs/dbraw/zinc/58/66/89/419586689.db2.gz RXTBTIXKZMXEFI-GFCCVEGCSA-N 2 0 271.361 -0.845 20 0 CBADRP CN(C)C(=O)N(C)[C@H]1CC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000662316217 419586837 /nfs/dbraw/zinc/58/68/37/419586837.db2.gz JHWOSFVDMOIDTM-ZDUSSCGKSA-N 2 0 283.420 -0.421 20 0 CBADRP C[C@]1(C(N)=O)CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662314323 419586886 /nfs/dbraw/zinc/58/68/86/419586886.db2.gz DVPHOPQOMHBKAK-PWSUYJOCSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000237937971 419588182 /nfs/dbraw/zinc/58/81/82/419588182.db2.gz BZVSVOGRNTYCCG-NWDGAFQWSA-N 2 0 282.388 -0.558 20 0 CBADRP [NH3+]CCn1cc(C(=O)NC2CC[NH+](CC3CC3)CC2)nn1 ZINC000662394242 419592863 /nfs/dbraw/zinc/59/28/63/419592863.db2.gz QMGXUABPMNXSFT-UHFFFAOYSA-N 2 0 292.387 -0.159 20 0 CBADRP Cn1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c(=O)n(C)c1=O ZINC000647482914 419593337 /nfs/dbraw/zinc/59/33/37/419593337.db2.gz JHXHAGLVKDLIRM-UHFFFAOYSA-N 2 0 292.383 -0.200 20 0 CBADRP O=C1CCCN1C[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000647517590 419598345 /nfs/dbraw/zinc/59/83/45/419598345.db2.gz ZDDZHXTVRGEKEB-CHWSQXEVSA-N 2 0 285.388 -0.984 20 0 CBADRP [NH3+]CCn1cc(C(=O)NC[C@@H]([NH3+])c2ccccc2)nn1 ZINC000662414226 419598451 /nfs/dbraw/zinc/59/84/51/419598451.db2.gz WUHXQXVOLFISTL-LLVKDONJSA-N 2 0 274.328 -0.333 20 0 CBADRP C[N@H+](C[C@H](O)CNC[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000647517309 419599061 /nfs/dbraw/zinc/59/90/61/419599061.db2.gz DHVOFBCQXBHMBW-KGLIPLIRSA-N 2 0 271.405 -0.512 20 0 CBADRP CN(C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000662414992 419599388 /nfs/dbraw/zinc/59/93/88/419599388.db2.gz KJHABQGMFSXDBK-ZJUUUORDSA-N 2 0 263.345 -0.080 20 0 CBADRP CC[C@H](C)C[C@@H](CO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000647524901 419603360 /nfs/dbraw/zinc/60/33/60/419603360.db2.gz KONUBGQERCQAKD-SOUVJXGZSA-N 2 0 287.448 -0.019 20 0 CBADRP COCC[N@H+](C)CCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662439975 419607258 /nfs/dbraw/zinc/60/72/58/419607258.db2.gz UMEIJVKUMGCODP-LLVKDONJSA-N 2 0 295.387 -0.205 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000662430972 419608075 /nfs/dbraw/zinc/60/80/75/419608075.db2.gz FWIAOBDIENOVCW-GARJFASQSA-N 2 0 259.350 -0.687 20 0 CBADRP O=C1CO[C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C[C@H]2N1 ZINC000647551846 419608691 /nfs/dbraw/zinc/60/86/91/419608691.db2.gz RDOWMAHKGDPRTJ-VXGBXAGGSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)nn1 ZINC000662450602 419611732 /nfs/dbraw/zinc/61/17/32/419611732.db2.gz AFIJSAABNNFSIQ-NSHDSACASA-N 2 0 278.360 -0.549 20 0 CBADRP CC(C)[NH2+]CC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000662463637 419613214 /nfs/dbraw/zinc/61/32/14/419613214.db2.gz CIGCLHIIDMKMNA-GFCCVEGCSA-N 2 0 256.394 -0.264 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000662461831 419613893 /nfs/dbraw/zinc/61/38/93/419613893.db2.gz FFYTUKIIMXIUNO-LLVKDONJSA-N 2 0 280.376 -0.159 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000662462109 419614570 /nfs/dbraw/zinc/61/45/70/419614570.db2.gz GVXPULUFUSIWQT-ZIAGYGMSSA-N 2 0 298.431 -0.493 20 0 CBADRP COC[C@@]1(C(=O)NC2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000310846014 419618083 /nfs/dbraw/zinc/61/80/83/419618083.db2.gz NIYBGFKIYJJDJC-CYBMUJFWSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CC[C@@H]3OCC[C@@H]3C2)C1=O ZINC000647600757 419624945 /nfs/dbraw/zinc/62/49/45/419624945.db2.gz HULGSMFBPUEFLK-AGIUHOORSA-N 2 0 295.383 -0.214 20 0 CBADRP [NH3+][C@H]1CCCCN(CC(=O)N[C@H]2CCC[NH2+]C2)C1=O ZINC000647640508 419625768 /nfs/dbraw/zinc/62/57/68/419625768.db2.gz OBBCSTZMYCSFMT-QWRGUYRKSA-N 2 0 268.361 -0.806 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000662561180 419641202 /nfs/dbraw/zinc/64/12/02/419641202.db2.gz PQXPFEHUPNZUOF-ZJUUUORDSA-N 2 0 296.337 -0.063 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]([NH3+])COC(C)C)CC1 ZINC000662526465 419629171 /nfs/dbraw/zinc/62/91/71/419629171.db2.gz YZMPTUJMTWHUQV-ZDUSSCGKSA-N 2 0 286.420 -0.508 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394370844 544579364 /nfs/dbraw/zinc/57/93/64/544579364.db2.gz DHYRFSUFMQSAQR-RYUDHWBXSA-N 2 0 254.378 -0.652 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000662515740 419631128 /nfs/dbraw/zinc/63/11/28/419631128.db2.gz VWYVPYKYRMCOFX-AAEUAGOBSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1CCCN(C(=O)COC2(C)C[NH2+]C2)[C@@H]1C[NH3+] ZINC000647820899 419661193 /nfs/dbraw/zinc/66/11/93/419661193.db2.gz LEFNQLKLLFYPBI-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP CCO[C@H]1C[C@]([NH3+])(C(=O)N[C@H]2CC[NH2+]C2)C1(C)C ZINC000662640051 419661722 /nfs/dbraw/zinc/66/17/22/419661722.db2.gz LPCZAFWPOFAKNT-KWBADKCTSA-N 2 0 255.362 -0.003 20 0 CBADRP C[C@@H](CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000662635401 419663599 /nfs/dbraw/zinc/66/35/99/419663599.db2.gz VBRVMZQSTMIWSY-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP CC1(C)C[NH2+]CCN1C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000647841362 419667785 /nfs/dbraw/zinc/66/77/85/419667785.db2.gz NDUCCHOEGHJSAH-LLVKDONJSA-N 2 0 292.387 -0.146 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662662099 419672770 /nfs/dbraw/zinc/67/27/70/419672770.db2.gz ZHTRIPDFOQEYJL-IJLUTSLNSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000662659983 419673156 /nfs/dbraw/zinc/67/31/56/419673156.db2.gz RLBMWJFFYGSWJW-LBPRGKRZSA-N 2 0 284.404 -0.536 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)CC1([NH3+])CC1 ZINC000662771871 419714533 /nfs/dbraw/zinc/71/45/33/419714533.db2.gz AVTCDUYYBDDYEO-LLVKDONJSA-N 2 0 282.388 -0.286 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662673384 419676729 /nfs/dbraw/zinc/67/67/29/419676729.db2.gz JNLJZVFKPMBCSM-RYUDHWBXSA-N 2 0 255.362 -0.097 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000647863818 419677414 /nfs/dbraw/zinc/67/74/14/419677414.db2.gz KWARMMKSWASFMP-LLVKDONJSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000647865374 419677817 /nfs/dbraw/zinc/67/78/17/419677817.db2.gz HQLYPIUWDXMMSX-TUUVXOQKSA-N 2 0 293.411 -0.035 20 0 CBADRP O=C(N1CC[NH+](C2CCCC2)CC1)C1(O)C[NH2+]C1 ZINC000662674151 419677902 /nfs/dbraw/zinc/67/79/02/419677902.db2.gz YOWNAUKMNMDXNX-UHFFFAOYSA-N 2 0 253.346 -0.593 20 0 CBADRP C[NH+](C)CCOc1ccc(CNC(=O)C2(O)C[NH2+]C2)cc1 ZINC000662675082 419679266 /nfs/dbraw/zinc/67/92/66/419679266.db2.gz JDNMIWKFZULZFT-UHFFFAOYSA-N 2 0 293.367 -0.423 20 0 CBADRP O=C(N1CC[C@@H]2CC[NH2+][C@H]2C1)[C@@]1(O)CCC[NH2+]C1 ZINC000662771552 419714669 /nfs/dbraw/zinc/71/46/69/419714669.db2.gz HHBJIDVRHZSEEL-GMXVVIOVSA-N 2 0 253.346 -0.689 20 0 CBADRP COCC1(C(=O)N2CC3CC2(C[NH3+])C3)CC[NH2+]CC1 ZINC000662682071 419681207 /nfs/dbraw/zinc/68/12/07/419681207.db2.gz KJVOGCCFNPXBAG-UHFFFAOYSA-N 2 0 267.373 -0.048 20 0 CBADRP CN1CCN(C(=O)[C@@H]2CCc3ncncc3C2)[C@H](C[NH3+])C1 ZINC000647874198 419681166 /nfs/dbraw/zinc/68/11/66/419681166.db2.gz GUZYHLPWXAANBD-DGCLKSJQSA-N 2 0 289.383 -0.317 20 0 CBADRP CS(=O)(=O)NC[C@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647877059 419681473 /nfs/dbraw/zinc/68/14/73/419681473.db2.gz HBJSIGPCCDMIHY-NEPJUHHUSA-N 2 0 275.418 -0.143 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC000647878395 419684643 /nfs/dbraw/zinc/68/46/43/419684643.db2.gz BRCSQBPYAAWBHZ-IRCOFANPSA-N 2 0 255.362 -0.099 20 0 CBADRP C(CN1CCO[C@@H]([C@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC000647891566 419685968 /nfs/dbraw/zinc/68/59/68/419685968.db2.gz RPXBWLKWNVKFCS-ZIAGYGMSSA-N 2 0 269.389 -0.229 20 0 CBADRP O=C(CC[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC000647891528 419688659 /nfs/dbraw/zinc/68/86/59/419688659.db2.gz MIAZKCOJKWLESF-KGLIPLIRSA-N 2 0 297.399 -0.312 20 0 CBADRP C[C@@H](CNC(=O)C1(O)C[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000662699567 419689039 /nfs/dbraw/zinc/68/90/39/419689039.db2.gz CFRCKCLLUTWJJI-NSHDSACASA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@@H]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)[C@H](C[NH3+])C1 ZINC000662699067 419689274 /nfs/dbraw/zinc/68/92/74/419689274.db2.gz WCABJOCWIVMPRY-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[C@@H]1C[N@H+](CCCS(=O)(=O)NC)CC[C@H]1[NH3+] ZINC000647936308 419690245 /nfs/dbraw/zinc/69/02/45/419690245.db2.gz BEWRMBSUOLEIOA-GHMZBOCLSA-N 2 0 263.407 -0.015 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCC[NH3+])CC1 ZINC000414699239 544590680 /nfs/dbraw/zinc/59/06/80/544590680.db2.gz DQMCLEUCEWUAHQ-LBPRGKRZSA-N 2 0 254.378 -0.426 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647941200 419693970 /nfs/dbraw/zinc/69/39/70/419693970.db2.gz DOYXXYDKLATVII-QWHCGFSZSA-N 3 0 268.405 -0.085 20 0 CBADRP C[C@H](NC(=O)[C@]1(O)CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000662703872 419694150 /nfs/dbraw/zinc/69/41/50/419694150.db2.gz PKHSUAUVHHZJOI-FZMZJTMJSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1CCC(=O)N1CC[NH2+]CC1 ZINC000647941226 419694261 /nfs/dbraw/zinc/69/42/61/419694261.db2.gz MHNUHRKPFVVSHQ-NWDGAFQWSA-N 2 0 254.378 -0.510 20 0 CBADRP CC[C@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+](C)C ZINC000338970809 419696805 /nfs/dbraw/zinc/69/68/05/419696805.db2.gz YOGNIQOAVAEKLO-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP COc1cc[nH+]c(N2CCN(C(=O)C3(O)C[NH2+]C3)CC2)c1 ZINC000662718366 419698117 /nfs/dbraw/zinc/69/81/17/419698117.db2.gz MZAWVLWEBFIVLG-UHFFFAOYSA-N 2 0 292.339 -0.927 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000662716928 419698602 /nfs/dbraw/zinc/69/86/02/419698602.db2.gz KSLCBLBWJYEYOW-DGAVXFQQSA-N 2 0 297.399 -0.592 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662712125 419699597 /nfs/dbraw/zinc/69/95/97/419699597.db2.gz RHFLVSKMGCRNRA-SRVKXCTJSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(CC[N@@H+]1CC[C@@H](n2cncn2)C1)N1CC[NH2+]CC1 ZINC000647989608 419702032 /nfs/dbraw/zinc/70/20/32/419702032.db2.gz LTNUAYGATKNKCK-GFCCVEGCSA-N 2 0 278.360 -0.653 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000662719494 419702015 /nfs/dbraw/zinc/70/20/15/419702015.db2.gz DFYIUVHJIPFPES-AVGNSLFASA-N 2 0 267.373 -0.049 20 0 CBADRP O=C(N1CC[C@@H](C[NH+]2CCCC2)C1)C1(O)C[NH2+]C1 ZINC000662743507 419707799 /nfs/dbraw/zinc/70/77/99/419707799.db2.gz NZQRBHQNYGHSOP-NSHDSACASA-N 2 0 253.346 -0.735 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000662755124 419711751 /nfs/dbraw/zinc/71/17/51/419711751.db2.gz DBRJGTZKWRALLR-SRVKXCTJSA-N 2 0 254.378 -0.524 20 0 CBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000662769483 419713167 /nfs/dbraw/zinc/71/31/67/419713167.db2.gz FFXNGCHBXDXLRO-WRWGMCAJSA-N 2 0 253.346 -0.297 20 0 CBADRP CC1(C)CN(C(=O)c2cn(CC[NH3+])nn2)CC[NH2+]1 ZINC000662574373 419642724 /nfs/dbraw/zinc/64/27/24/419642724.db2.gz YVQLZWMFNUDTKA-UHFFFAOYSA-N 2 0 252.322 -0.939 20 0 CBADRP CC(C)[C@H]1CN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC[NH2+]1 ZINC000662770232 419713807 /nfs/dbraw/zinc/71/38/07/419713807.db2.gz NGJHSKCOYTUOSC-QJPTWQEYSA-N 2 0 255.362 -0.193 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647770013 419652678 /nfs/dbraw/zinc/65/26/78/419652678.db2.gz UCHNECWHVFZOGP-LBPRGKRZSA-N 2 0 256.394 -0.277 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N(C)CCN2CC[NH2+]CC2)CC[NH2+]1 ZINC000647777362 419653637 /nfs/dbraw/zinc/65/36/37/419653637.db2.gz MKPVVKGBCSRUOY-STQMWFEESA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647777306 419653808 /nfs/dbraw/zinc/65/38/08/419653808.db2.gz KBJRXQHFOANZPD-NEPJUHHUSA-N 2 0 254.378 -0.652 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]([NH3+])C1CCC1 ZINC000647779045 419655364 /nfs/dbraw/zinc/65/53/64/419655364.db2.gz NIWKPYXQPNEIOG-LBPRGKRZSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@H](CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000662633270 419656629 /nfs/dbraw/zinc/65/66/29/419656629.db2.gz JTEGNNJDTMQUAX-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)C1([NH3+])CCC1 ZINC000662632074 419656969 /nfs/dbraw/zinc/65/69/69/419656969.db2.gz LSRMRAVSESZSMN-UHFFFAOYSA-N 2 0 256.394 -0.133 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)NCCN(C)CCC[NH+](C)C ZINC000662633242 419657217 /nfs/dbraw/zinc/65/72/17/419657217.db2.gz JMIMUUVEMGCEPE-LBPRGKRZSA-N 2 0 258.410 -0.158 20 0 CBADRP CN1CCN(C(=O)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647793276 419658888 /nfs/dbraw/zinc/65/88/88/419658888.db2.gz RNWVBEVIXZJZLR-MGPQQGTHSA-N 2 0 280.416 -0.262 20 0 CBADRP C[C@@](C[NH3+])(NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)C1CC1 ZINC000647807201 419659038 /nfs/dbraw/zinc/65/90/38/419659038.db2.gz RCUQXBKVLJBDFW-MFKMUULPSA-N 2 0 278.360 -0.330 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000662632859 419660445 /nfs/dbraw/zinc/66/04/45/419660445.db2.gz VAXSQQZZIIJCIO-SNVBAGLBSA-N 2 0 280.363 -0.031 20 0 CBADRP O=C(N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1(O)C[NH2+]C1 ZINC000662805868 419730199 /nfs/dbraw/zinc/73/01/99/419730199.db2.gz ODAMKICLVFZRKY-YPMHNXCESA-N 2 0 279.384 -0.204 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C3(O)C[NH2+]C3)CC[C@H]21 ZINC000662802700 419731142 /nfs/dbraw/zinc/73/11/42/419731142.db2.gz BXHIFYXCINJJRD-GHMZBOCLSA-N 2 0 253.346 -0.737 20 0 CBADRP C[NH+](C)CCCOC1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662799124 419731316 /nfs/dbraw/zinc/73/13/16/419731316.db2.gz KPHOTMYFUPKSJT-UHFFFAOYSA-N 2 0 285.388 -0.720 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648106183 419732119 /nfs/dbraw/zinc/73/21/19/419732119.db2.gz JUWXSDJOOAGIJX-SECBINFHSA-N 2 0 265.304 -0.417 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C1([NH2+]C2CC2)CCC1 ZINC000662812395 419732683 /nfs/dbraw/zinc/73/26/83/419732683.db2.gz BARAIDWLEYXFRL-NSHDSACASA-N 2 0 253.346 -0.234 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000341273570 419732735 /nfs/dbraw/zinc/73/27/35/419732735.db2.gz WYQDEHUXQONZJO-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000662941879 419786251 /nfs/dbraw/zinc/78/62/51/419786251.db2.gz RNOGZZSTDIZOHF-GFCCVEGCSA-N 2 0 284.404 -0.406 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CCO1 ZINC000648110747 419736475 /nfs/dbraw/zinc/73/64/75/419736475.db2.gz MDQJCWRQBQAISD-BDAKNGLRSA-N 2 0 263.288 -0.583 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662813548 419736945 /nfs/dbraw/zinc/73/69/45/419736945.db2.gz KMEYWUNOULSNJY-WPRPVWTQSA-N 2 0 281.278 -0.367 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662813546 419737039 /nfs/dbraw/zinc/73/70/39/419737039.db2.gz KMEYWUNOULSNJY-SCZZXKLOSA-N 2 0 281.278 -0.367 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000648121953 419739624 /nfs/dbraw/zinc/73/96/24/419739624.db2.gz CIXUFSNGQFFDRC-FOGDFJRCSA-N 2 0 270.377 -0.528 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CCC[NH2+]1 ZINC000648124187 419741387 /nfs/dbraw/zinc/74/13/87/419741387.db2.gz TWRHTFXPPNTOKP-OBJOEFQTSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[C@@H]1CN(C(=O)COC2(C)C[NH2+]C2)CC[C@@H]1[NH3+] ZINC000648126509 419741770 /nfs/dbraw/zinc/74/17/70/419741770.db2.gz LLZOKKMQPTTWOC-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662832112 419742010 /nfs/dbraw/zinc/74/20/10/419742010.db2.gz DWRXZERKDIZELK-ZIAGYGMSSA-N 2 0 297.399 -0.312 20 0 CBADRP CC1(OCC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C[NH2+]C1 ZINC000648124144 419742412 /nfs/dbraw/zinc/74/24/12/419742412.db2.gz RUSAGDMMXGYBOW-WDEREUQCSA-N 2 0 253.346 -0.425 20 0 CBADRP C[N@@H+]1CC[C@](N)(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000648124346 419742839 /nfs/dbraw/zinc/74/28/39/419742839.db2.gz XWPRABGMAWEYST-NTZNESFSSA-N 2 0 252.362 -0.770 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000648128048 419743064 /nfs/dbraw/zinc/74/30/64/419743064.db2.gz BSOMWFXFQVVGRF-VXGBXAGGSA-N 2 0 282.388 -0.416 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648128039 419743108 /nfs/dbraw/zinc/74/31/08/419743108.db2.gz BEOFCMJVAVNMDU-CIQGVGRVSA-N 2 0 294.399 -0.702 20 0 CBADRP [NH3+]CCOCC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662833621 419744241 /nfs/dbraw/zinc/74/42/41/419744241.db2.gz SWZIBVUIEUWRDX-CYBMUJFWSA-N 2 0 285.388 -0.325 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662940681 419786659 /nfs/dbraw/zinc/78/66/59/419786659.db2.gz OCJJIIQIXHAFAQ-UHFFFAOYSA-N 2 0 286.420 -0.019 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000648138978 419752566 /nfs/dbraw/zinc/75/25/66/419752566.db2.gz NYIFYQYYCIKLDP-DDHJBXDOSA-N 2 0 253.346 -0.569 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000648140124 419752932 /nfs/dbraw/zinc/75/29/32/419752932.db2.gz DWHBHLUFXWNTKV-PWSUYJOCSA-N 2 0 282.388 -0.656 20 0 CBADRP CN(C(=O)CN1CCCC[C@@H]([NH3+])C1=O)C1(C[NH3+])CCC1 ZINC000648147433 419754531 /nfs/dbraw/zinc/75/45/31/419754531.db2.gz YLXAPLSTWAQHGI-LLVKDONJSA-N 2 0 282.388 -0.334 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000648148179 419758850 /nfs/dbraw/zinc/75/88/50/419758850.db2.gz PBBPHZBMDQSLSE-HIFRSBDPSA-N 2 0 276.384 -0.120 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C(F)(F)F ZINC000648148627 419759198 /nfs/dbraw/zinc/75/91/98/419759198.db2.gz SULVGQFUUYBAQQ-FKSUSPILSA-N 2 0 251.252 -0.152 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)COC1(C)C[NH2+]C1 ZINC000648153524 419760029 /nfs/dbraw/zinc/76/00/29/419760029.db2.gz ZNMRXCFONHBAOH-UHFFFAOYSA-N 2 0 298.431 -0.539 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000430726386 544593380 /nfs/dbraw/zinc/59/33/80/544593380.db2.gz VRQFCHKJHDMKEL-TUAOUCFPSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])CC(F)F ZINC000662872545 419760857 /nfs/dbraw/zinc/76/08/57/419760857.db2.gz CBQDFMBAJOJHDC-VIFPVBQESA-N 2 0 294.346 -0.553 20 0 CBADRP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C1(O)C[NH2+]C1 ZINC000662877942 419761387 /nfs/dbraw/zinc/76/13/87/419761387.db2.gz JSWJRZNMIRZNEK-LBPRGKRZSA-N 2 0 277.324 -0.380 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648159718 419761863 /nfs/dbraw/zinc/76/18/63/419761863.db2.gz BGMCIOMZDFPQQB-SNVBAGLBSA-N 2 0 279.331 -0.074 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000662872849 419762052 /nfs/dbraw/zinc/76/20/52/419762052.db2.gz DNFGIENCKPFLQJ-SNVBAGLBSA-N 2 0 258.366 -0.798 20 0 CBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)COC3(C)C[NH2+]C3)[C@@H]2C1 ZINC000648168924 419762186 /nfs/dbraw/zinc/76/21/86/419762186.db2.gz HOVKURKJIYRRJO-NWDGAFQWSA-N 2 0 267.373 -0.083 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000648157842 419763269 /nfs/dbraw/zinc/76/32/69/419763269.db2.gz JKYOEAKKCKRVSX-UPJWGTAASA-N 2 0 267.373 -0.083 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000648162499 419763995 /nfs/dbraw/zinc/76/39/95/419763995.db2.gz PSAKNYJHKKTOBP-NWDGAFQWSA-N 2 0 253.346 -0.282 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CC[NH2+]1 ZINC000662905787 419765534 /nfs/dbraw/zinc/76/55/34/419765534.db2.gz FSGUDOGHWAKQQK-MELADBBJSA-N 2 0 280.416 -0.119 20 0 CBADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000662908348 419766109 /nfs/dbraw/zinc/76/61/09/419766109.db2.gz SXXHWNWMVVRSIB-QWHCGFSZSA-N 2 0 268.405 -0.119 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000662907347 419768432 /nfs/dbraw/zinc/76/84/32/419768432.db2.gz SYBZQBLHXRTEAQ-VNHYZAJKSA-N 2 0 278.400 -0.508 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000662908389 419768928 /nfs/dbraw/zinc/76/89/28/419768928.db2.gz UEXAMQDSUOOARM-TUAOUCFPSA-N 2 0 252.362 -0.770 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662913645 419770724 /nfs/dbraw/zinc/77/07/24/419770724.db2.gz RXGHKTAJYRMPJG-SDDRHHMPSA-N 2 0 255.362 -0.049 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC000662913647 419773151 /nfs/dbraw/zinc/77/31/51/419773151.db2.gz RXGHKTAJYRMPJG-TUAOUCFPSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC23CC(C2)C[NH2+]3)CC1=O ZINC000662922603 419779099 /nfs/dbraw/zinc/77/90/99/419779099.db2.gz LMXLCHLFNXMMIR-AVERBVTBSA-N 2 0 294.399 -0.735 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662930605 419782069 /nfs/dbraw/zinc/78/20/69/419782069.db2.gz SECKZTYGPWBRPN-UHFFFAOYSA-N 2 0 294.399 -0.510 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000662930562 419782767 /nfs/dbraw/zinc/78/27/67/419782767.db2.gz SLDWSJUBCDWQJA-GFCCVEGCSA-N 2 0 282.388 -0.511 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000662930838 419782796 /nfs/dbraw/zinc/78/27/96/419782796.db2.gz WKKOUTHNAMMYFU-GFCCVEGCSA-N 2 0 296.415 -0.121 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000662937743 419783914 /nfs/dbraw/zinc/78/39/14/419783914.db2.gz KJXXYUKGOXGKEC-NEPJUHHUSA-N 2 0 282.388 -0.511 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000662934372 419783946 /nfs/dbraw/zinc/78/39/46/419783946.db2.gz MDUFSHCZOTUREM-ZDUSSCGKSA-N 2 0 296.415 -0.262 20 0 CBADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)C1(O)C[NH2+]C1 ZINC000662779359 419719691 /nfs/dbraw/zinc/71/96/91/419719691.db2.gz JZJFTCVXWHHIKP-UHFFFAOYSA-N 2 0 263.297 -0.559 20 0 CBADRP C[NH+](C)CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662778367 419720108 /nfs/dbraw/zinc/72/01/08/419720108.db2.gz GXABJFYMQOOMAQ-NSHDSACASA-N 2 0 280.376 -0.116 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000662786224 419722343 /nfs/dbraw/zinc/72/23/43/419722343.db2.gz UXCQTWYMFJBIIV-TUAOUCFPSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000662786226 419724285 /nfs/dbraw/zinc/72/42/85/419724285.db2.gz UXCQTWYMFJBIIV-WOPDTQHZSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@H]1CCO[C@@H]1C[NH3+])C(F)(F)F ZINC000662783926 419724549 /nfs/dbraw/zinc/72/45/49/419724549.db2.gz PLUIYRJIEXQVLO-RNJXMRFFSA-N 2 0 269.267 -0.254 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CCO1 ZINC000662973575 419801162 /nfs/dbraw/zinc/80/11/62/419801162.db2.gz RPWTZOZAWQOBHV-UONOGXRCSA-N 2 0 299.415 -0.066 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000663011339 419809089 /nfs/dbraw/zinc/80/90/89/419809089.db2.gz PQZFUDDWKJMPJL-AWEZNQCLSA-N 2 0 268.405 -0.118 20 0 CBADRP C[C@]1(NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC[NH2+]C1 ZINC000663010887 419809634 /nfs/dbraw/zinc/80/96/34/419809634.db2.gz LOPBGHZENLRBFW-ZANVPECISA-N 2 0 263.345 -0.032 20 0 CBADRP C[C@@]1(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000663011789 419810247 /nfs/dbraw/zinc/81/02/47/419810247.db2.gz SGCQYTRJXLHCMF-GXFFZTMASA-N 2 0 268.361 -0.887 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000663011340 419810536 /nfs/dbraw/zinc/81/05/36/419810536.db2.gz PQZFUDDWKJMPJL-CQSZACIVSA-N 2 0 268.405 -0.118 20 0 CBADRP C[C@]1(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC[NH2+]C1 ZINC000663011740 419810819 /nfs/dbraw/zinc/81/08/19/419810819.db2.gz QVYNSEYZYBJZLG-GWCFXTLKSA-N 2 0 278.360 -0.488 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000649274451 419859081 /nfs/dbraw/zinc/85/90/81/419859081.db2.gz LUCWPRGHRVJWLB-UPJWGTAASA-N 2 0 268.405 -0.040 20 0 CBADRP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCOC2(C[NH2+]C2)C1 ZINC000663218064 419829703 /nfs/dbraw/zinc/82/97/03/419829703.db2.gz YJHOCHLFCVOBLL-ZYHUDNBSSA-N 2 0 251.330 -0.813 20 0 CBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000649069671 419833406 /nfs/dbraw/zinc/83/34/06/419833406.db2.gz XNBUCAWOIIMEQN-JHJVBQTASA-N 2 0 296.415 -0.095 20 0 CBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C1CC[NH+](C)CC1 ZINC000649074529 419835143 /nfs/dbraw/zinc/83/51/43/419835143.db2.gz LDAPQYOZMUCFDJ-GFCCVEGCSA-N 2 0 296.415 -0.093 20 0 CBADRP CC[C@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)[NH+](C)C ZINC000649074896 419836965 /nfs/dbraw/zinc/83/69/65/419836965.db2.gz ROBASQRIJACWGX-NWDGAFQWSA-N 2 0 284.404 -0.095 20 0 CBADRP CCOCCN1CCN(C(=O)[C@@H](C[NH3+])OC)C[C@@H]1CC ZINC000353428358 419838812 /nfs/dbraw/zinc/83/88/12/419838812.db2.gz NBSOVOLLNXQLRJ-QWHCGFSZSA-N 2 0 287.404 -0.081 20 0 CBADRP CCOCCN1CCN(C(=O)[C@H](C[NH3+])OC)C[C@@H]1CC ZINC000353428359 419839614 /nfs/dbraw/zinc/83/96/14/419839614.db2.gz NBSOVOLLNXQLRJ-STQMWFEESA-N 2 0 287.404 -0.081 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663491170 419842678 /nfs/dbraw/zinc/84/26/78/419842678.db2.gz DCAPHKXRSTYGLQ-WDEREUQCSA-N 2 0 253.346 -0.295 20 0 CBADRP O=C([C@@H]1CCC[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1)N1CC[NH2+]CC1 ZINC000663496860 419843716 /nfs/dbraw/zinc/84/37/16/419843716.db2.gz ZZPOITZGIACLBO-FMKPAKJESA-N 3 0 292.427 -0.260 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1O ZINC000663681279 419855175 /nfs/dbraw/zinc/85/51/75/419855175.db2.gz JRIKHPRROZJRSY-CRWXNKLISA-N 2 0 296.415 -0.071 20 0 CBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000662946276 419789076 /nfs/dbraw/zinc/78/90/76/419789076.db2.gz QFKDGFQRXIUJSX-UHFFFAOYSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[C@]1(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCC[NH2+]1 ZINC000662946678 419790684 /nfs/dbraw/zinc/79/06/84/419790684.db2.gz XJURFGZMJHPGMW-CYBMUJFWSA-N 2 0 279.344 -0.211 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N(C)Cc1c[nH]cn1 ZINC000662954483 419792584 /nfs/dbraw/zinc/79/25/84/419792584.db2.gz MGYZZBWSJZOCRU-VHSXEESVSA-N 2 0 279.344 -0.423 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000649274847 419857817 /nfs/dbraw/zinc/85/78/17/419857817.db2.gz XEEKQLKHMWCLBI-QWHCGFSZSA-N 2 0 284.404 -0.802 20 0 CBADRP C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CCO1 ZINC000662972529 419797048 /nfs/dbraw/zinc/79/70/48/419797048.db2.gz KGOOBOWNZUHSIB-STQMWFEESA-N 2 0 285.388 -0.456 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC000649298176 419868140 /nfs/dbraw/zinc/86/81/40/419868140.db2.gz XKEFJWFXWQOGDY-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649313237 419879043 /nfs/dbraw/zinc/87/90/43/419879043.db2.gz QODAQBBWXNGFSC-WUHRBBMRSA-N 2 0 294.399 -0.845 20 0 CBADRP CC1(OCC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[NH2+]C1 ZINC000649322897 419882063 /nfs/dbraw/zinc/88/20/63/419882063.db2.gz UYMVWDDHPMPNNL-LBPRGKRZSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000649321477 419884393 /nfs/dbraw/zinc/88/43/93/419884393.db2.gz ZILGXQUMVBXTJC-UONOGXRCSA-N 2 0 297.399 -0.578 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000649321475 419884822 /nfs/dbraw/zinc/88/48/22/419884822.db2.gz ZILGXQUMVBXTJC-KBPBESRZSA-N 2 0 297.399 -0.578 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000664219553 419889085 /nfs/dbraw/zinc/88/90/85/419889085.db2.gz RPXWAOMUQYKLFE-NDBYEHHHSA-N 2 0 284.404 -0.215 20 0 CBADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357931665 419893020 /nfs/dbraw/zinc/89/30/20/419893020.db2.gz QJHNTSUIBCMMEL-GHMZBOCLSA-N 2 0 273.296 -0.071 20 0 CBADRP CC1(OCC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)C[NH2+]C1 ZINC000649341745 419895031 /nfs/dbraw/zinc/89/50/31/419895031.db2.gz UYWWVCZAKPXTQR-CYBMUJFWSA-N 2 0 297.399 -0.454 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC2(C)C[NH2+]C2)C1 ZINC000649280965 419862163 /nfs/dbraw/zinc/86/21/63/419862163.db2.gz YSNCYNPBKVWOMO-CYBMUJFWSA-N 2 0 299.415 -0.162 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000663849838 419863517 /nfs/dbraw/zinc/86/35/17/419863517.db2.gz MXJJTCPQHZYSNC-SRVKXCTJSA-N 2 0 272.393 -0.357 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000666920290 544649354 /nfs/dbraw/zinc/64/93/54/544649354.db2.gz REJUJLOUUVLRID-HZSPNIEDSA-N 2 0 296.415 -0.069 20 0 CBADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000649345078 419899218 /nfs/dbraw/zinc/89/92/18/419899218.db2.gz ILZAVCBLQZMYFN-DGAVXFQQSA-N 2 0 279.384 -0.083 20 0 CBADRP O=C1CNC(=O)N1CC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358517138 419900205 /nfs/dbraw/zinc/90/02/05/419900205.db2.gz PBBYFQNUDAKTRR-UHFFFAOYSA-N 2 0 266.345 -0.386 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@H](C)C[NH+](C)C ZINC000358517042 419900813 /nfs/dbraw/zinc/90/08/13/419900813.db2.gz CCIUYQSIMXPMCT-LLVKDONJSA-N 2 0 260.382 -0.450 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000358545695 419902577 /nfs/dbraw/zinc/90/25/77/419902577.db2.gz ZPFBGMNFEFXSKD-CYBMUJFWSA-N 2 0 284.404 -0.800 20 0 CBADRP CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000664384012 419902858 /nfs/dbraw/zinc/90/28/58/419902858.db2.gz AEQAPUBFFYPWHC-VOAKCMCISA-N 2 0 284.404 -0.357 20 0 CBADRP C[C@@H](C(=O)N1C[C@H](C)N(CCO)C[C@H]1C)[NH+](C)C ZINC000668041770 544682946 /nfs/dbraw/zinc/68/29/46/544682946.db2.gz WLMLKSDHZMAMKA-TUAOUCFPSA-N 2 0 257.378 -0.150 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000649366343 419903710 /nfs/dbraw/zinc/90/37/10/419903710.db2.gz ZTRNIOTVHDKCNU-ZDUSSCGKSA-N 2 0 284.404 -0.881 20 0 CBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649351271 419904832 /nfs/dbraw/zinc/90/48/32/419904832.db2.gz FTIUJDNERKUMSR-BYNSBNAKSA-N 2 0 294.443 -0.158 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649350653 419905010 /nfs/dbraw/zinc/90/50/10/419905010.db2.gz WMXVNYAAUVHWBD-MCIONIFRSA-N 2 0 280.416 -0.119 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000649410848 419908939 /nfs/dbraw/zinc/90/89/39/419908939.db2.gz YIJXFNLNDHOOJR-TZMCWYRMSA-N 2 0 298.431 -0.365 20 0 CBADRP [NH3+]CCOCCN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000649412461 419909398 /nfs/dbraw/zinc/90/93/98/419909398.db2.gz NINSSIGCKURCEL-QWHCGFSZSA-N 2 0 257.378 -0.507 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000649419761 419909809 /nfs/dbraw/zinc/90/98/09/419909809.db2.gz AZUDEKXAWSRZCN-DGCLKSJQSA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358679871 419911404 /nfs/dbraw/zinc/91/14/04/419911404.db2.gz AZDZMGHPRMVKBR-AAEUAGOBSA-N 2 0 272.393 -0.308 20 0 CBADRP C[C@@H]1C[C@@H](C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC[NH2+]1 ZINC000358698579 419913084 /nfs/dbraw/zinc/91/30/84/419913084.db2.gz UZDNNXLEWIPMNJ-AGIUHOORSA-N 2 0 296.415 -0.170 20 0 CBADRP O=C(N1CCOC2(C[NH2+]C2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000664725432 419913390 /nfs/dbraw/zinc/91/33/90/419913390.db2.gz AQZYXWZMEUMUDM-LLVKDONJSA-N 2 0 293.289 -0.271 20 0 CBADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000664727396 419913868 /nfs/dbraw/zinc/91/38/68/419913868.db2.gz HLTYRHYMLWBYTI-JTQLQIEISA-N 2 0 253.346 -0.425 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)NCC2([NH+](C)C)CCC2)C[C@@H]1O ZINC000664721877 419914884 /nfs/dbraw/zinc/91/48/84/419914884.db2.gz VKHYHVQNCRZKIY-RYUDHWBXSA-N 2 0 284.404 -0.213 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H](C)[NH3+])C1 ZINC000668727730 544719469 /nfs/dbraw/zinc/71/94/69/544719469.db2.gz PYTWJQBEIQBIGA-VXGBXAGGSA-N 2 0 272.393 -0.010 20 0 CBADRP CCC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CC[N@@H+]1CCOC ZINC000649379157 419907151 /nfs/dbraw/zinc/90/71/51/419907151.db2.gz OCMXOENZMMNAAD-KGLIPLIRSA-N 2 0 299.415 -0.066 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)[C@H](C[NH3+])C1 ZINC000669403091 544749107 /nfs/dbraw/zinc/74/91/07/544749107.db2.gz ISZQIRQDZQPWEF-VXGBXAGGSA-N 2 0 269.393 -0.635 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000669491298 544750623 /nfs/dbraw/zinc/75/06/23/544750623.db2.gz UBMOLMXIDFQNDA-AWEZNQCLSA-N 2 0 295.431 -0.325 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000669491277 544750827 /nfs/dbraw/zinc/75/08/27/544750827.db2.gz SGTYAHPBYGOLSM-WUHRBBMRSA-N 2 0 264.373 -0.012 20 0 CBADRP CN1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])[C@@H](C[NH3+])C1 ZINC000669512653 544750887 /nfs/dbraw/zinc/75/08/87/544750887.db2.gz WQGKARFDVLZHFQ-RWMBFGLXSA-N 2 0 268.405 -0.005 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1(C)C ZINC000669512342 544751081 /nfs/dbraw/zinc/75/10/81/544751081.db2.gz FXAPVXOOTSQGAE-NSHDSACASA-N 2 0 270.377 -0.704 20 0 CBADRP CN1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000669512559 544751114 /nfs/dbraw/zinc/75/11/14/544751114.db2.gz AFKIIJIWRHTUBC-UTUOFQBUSA-N 2 0 254.378 -0.395 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]2CCCC[NH2+]2)CC[NH2+]C1 ZINC000669509698 544751763 /nfs/dbraw/zinc/75/17/63/544751763.db2.gz ORBHWWGOFQXSKM-YPMHNXCESA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCOC2(C[NH2+]C2)C1 ZINC000669491258 544751812 /nfs/dbraw/zinc/75/18/12/544751812.db2.gz RXIUNHQLHXGDPN-CYBMUJFWSA-N 2 0 294.399 -0.146 20 0 CBADRP CC[NH+](CC)CCOCCNC(=O)NC[C@H](C)[NH3+] ZINC000669558410 544753623 /nfs/dbraw/zinc/75/36/23/544753623.db2.gz BBAQYPXFBWBDKH-NSHDSACASA-N 2 0 260.382 -0.009 20 0 CBADRP CO[C@@H]1CN(CC(C)C[N@@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000664777610 419916914 /nfs/dbraw/zinc/91/69/14/419916914.db2.gz GEFBRURKGPEWBI-AAVRWANBSA-N 2 0 288.388 -0.995 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H]1CCC(=O)N1 ZINC000649570297 419919784 /nfs/dbraw/zinc/91/97/84/419919784.db2.gz VQKRBUNAHXCSDU-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP CN1CCN(C(=O)CCNC(=O)NCC[NH2+]C2CC2)CC1 ZINC000669272798 544743622 /nfs/dbraw/zinc/74/36/22/544743622.db2.gz WJKKJWRLOJGBGP-UHFFFAOYSA-N 2 0 297.403 -0.798 20 0 CBADRP C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000672010703 544837808 /nfs/dbraw/zinc/83/78/08/544837808.db2.gz OOWSNIHDBXCBKI-GFCCVEGCSA-N 2 0 298.431 -0.147 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000672100912 544838662 /nfs/dbraw/zinc/83/86/62/544838662.db2.gz RLCKVBHZWBLJTJ-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CN[C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000665295019 419937109 /nfs/dbraw/zinc/93/71/09/419937109.db2.gz ZRNZEDWNKYYWBZ-SCZZXKLOSA-N 2 0 251.334 -0.142 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)n1 ZINC000665294603 419937128 /nfs/dbraw/zinc/93/71/28/419937128.db2.gz RTVJFNGVJBLHMO-FZMZJTMJSA-N 2 0 293.371 -0.503 20 0 CBADRP CN(CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+])S(C)(=O)=O ZINC000665230989 419937561 /nfs/dbraw/zinc/93/75/61/419937561.db2.gz ZVPYGCBQMDKENE-GHMZBOCLSA-N 2 0 263.407 -0.015 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292095 419937615 /nfs/dbraw/zinc/93/76/15/419937615.db2.gz SGSIAIJWVHLORH-SCZZXKLOSA-N 2 0 251.334 -0.319 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[N@H+](C)CC1 ZINC000359012880 419938812 /nfs/dbraw/zinc/93/88/12/419938812.db2.gz PEQHBEWJLBTSFK-AWEZNQCLSA-N 2 0 297.447 -0.031 20 0 CBADRP CCN1CCN(C(=O)[C@H](C)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359307698 419956739 /nfs/dbraw/zinc/95/67/39/419956739.db2.gz NYLNLXSQCBIMLC-MELADBBJSA-N 3 0 280.416 -0.310 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000359284239 419957361 /nfs/dbraw/zinc/95/73/61/419957361.db2.gz ZLYKDCDAKCBYSR-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP COCCCS(=O)(=O)NCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359308291 419957598 /nfs/dbraw/zinc/95/75/98/419957598.db2.gz OLJQTCNCQBAUDR-TXEJJXNPSA-N 2 0 291.417 -0.907 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000359428802 419963152 /nfs/dbraw/zinc/96/31/52/419963152.db2.gz HVIISBGSSRVHED-ZIAGYGMSSA-N 2 0 280.416 -0.308 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359428800 419964008 /nfs/dbraw/zinc/96/40/08/419964008.db2.gz HVIISBGSSRVHED-OKILXGFUSA-N 2 0 280.416 -0.308 20 0 CBADRP C[C@@H]1C[NH+](CC2(C[N@H+]3C[C@H](C)[C@H](O)C3)COC2)C[C@H]1O ZINC000360210320 420010828 /nfs/dbraw/zinc/01/08/28/420010828.db2.gz WSHGYONKMBWIMO-XJFOESAGSA-N 2 0 284.400 -0.372 20 0 CBADRP C[N@H+](CCNC(=O)c1[nH]nc2c1C[NH2+]CC2)C1CC1 ZINC000364220478 420031027 /nfs/dbraw/zinc/03/10/27/420031027.db2.gz MEIAAJMKBCHZKN-UHFFFAOYSA-N 2 0 263.345 -0.121 20 0 CBADRP CN1CCC([NH+]2CCC(NC(=O)C3C[NH2+]C3)CC2)CC1 ZINC000364631276 420043364 /nfs/dbraw/zinc/04/33/64/420043364.db2.gz IJWPAJDNDTVEID-UHFFFAOYSA-N 2 0 280.416 -0.119 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)NCCC1CC[NH2+]CC1 ZINC000652200823 420050088 /nfs/dbraw/zinc/05/00/88/420050088.db2.gz LFOXSRSNOMLSOU-UHFFFAOYSA-N 2 0 297.447 -0.029 20 0 CBADRP CCO[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C[C@H]1C[NH3+] ZINC000652215206 420051017 /nfs/dbraw/zinc/05/10/17/420051017.db2.gz HTWOOFHZOUKJRU-FVCCEPFGSA-N 2 0 284.404 -0.010 20 0 CBADRP CCO[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C[C@H]1C[NH3+] ZINC000652217467 420051586 /nfs/dbraw/zinc/05/15/86/420051586.db2.gz YNRSPIQERHVEJX-FDYHWXHSSA-N 2 0 284.404 -0.010 20 0 CBADRP CCO[C@@H]1CN(C(=O)NC[C@H]([NH3+])C(C)C)C[C@H]1C[NH3+] ZINC000652206867 420051710 /nfs/dbraw/zinc/05/17/10/420051710.db2.gz WKEFNALBPYFNDT-GRYCIOLGSA-N 2 0 272.393 -0.025 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652217941 420052705 /nfs/dbraw/zinc/05/27/05/420052705.db2.gz PFCMDTCQFAMKJM-IJLUTSLNSA-N 2 0 272.393 -0.010 20 0 CBADRP CCO[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H]1C[NH3+] ZINC000652221503 420053006 /nfs/dbraw/zinc/05/30/06/420053006.db2.gz WVISVEHLRZAXDY-ZIQFBCGOSA-N 2 0 268.361 -0.791 20 0 CBADRP [NH3+]CC1(CCNC(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000652224097 420053117 /nfs/dbraw/zinc/05/31/17/420053117.db2.gz TWTZOILCQNDXKK-LLVKDONJSA-N 2 0 270.377 -0.207 20 0 CBADRP [NH3+]CC1(CCNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000652232295 420053782 /nfs/dbraw/zinc/05/37/82/420053782.db2.gz WIYSBAOFHBABSI-CYBMUJFWSA-N 2 0 295.431 -0.196 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000365159525 420056469 /nfs/dbraw/zinc/05/64/69/420056469.db2.gz YWEDQWQBSFOTBP-WRWGMCAJSA-N 2 0 255.362 -0.302 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NCCC1CC[NH2+]CC1 ZINC000652319266 420057731 /nfs/dbraw/zinc/05/77/31/420057731.db2.gz SEUNWEXKQSUWMU-UHFFFAOYSA-N 2 0 286.420 -0.011 20 0 CBADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000652352317 420058332 /nfs/dbraw/zinc/05/83/32/420058332.db2.gz BYXMLPZBSQEZTE-ZFWWWQNUSA-N 3 0 280.416 -0.131 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000365314876 420059287 /nfs/dbraw/zinc/05/92/87/420059287.db2.gz FGZUWXUUKMYBHF-RWMBFGLXSA-N 2 0 269.389 -0.197 20 0 CBADRP C[C@H]1C[NH+](CCCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000365332442 420060022 /nfs/dbraw/zinc/06/00/22/420060022.db2.gz SRVPZLWWEVTWGY-ZDEQEGDKSA-N 2 0 285.388 -0.675 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653043307 420108926 /nfs/dbraw/zinc/10/89/26/420108926.db2.gz NFBSHPBDXFTMLG-UONOGXRCSA-N 2 0 280.416 -0.072 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C[C@@H](C)[NH2+]1 ZINC000653050306 420109942 /nfs/dbraw/zinc/10/99/42/420109942.db2.gz QSFXZMJCUQNOAA-DCQANWLSSA-N 2 0 253.346 -0.569 20 0 CBADRP O=C(CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CC[NH2+]CC1 ZINC000653045671 420110566 /nfs/dbraw/zinc/11/05/66/420110566.db2.gz CSJZKSNCKQSETQ-NWDGAFQWSA-N 2 0 280.372 -0.935 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000653052457 420111167 /nfs/dbraw/zinc/11/11/67/420111167.db2.gz GEKUQMOOEWKWIO-GRYCIOLGSA-N 2 0 256.394 -0.101 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653054503 420111231 /nfs/dbraw/zinc/11/12/31/420111231.db2.gz YJRSCJGJSHHBLL-GWCFXTLKSA-N 2 0 255.362 -0.144 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000653052460 420111864 /nfs/dbraw/zinc/11/18/64/420111864.db2.gz GEKUQMOOEWKWIO-WOPDTQHZSA-N 2 0 256.394 -0.101 20 0 CBADRP CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653080545 420112579 /nfs/dbraw/zinc/11/25/79/420112579.db2.gz KZHAKWQCRUPBAF-DCAQKATOSA-N 2 0 272.393 -0.315 20 0 CBADRP C[C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)Cn1cccn1 ZINC000653073247 420113361 /nfs/dbraw/zinc/11/33/61/420113361.db2.gz WYHUKKOLKGMWMC-NEPJUHHUSA-N 2 0 267.377 -0.086 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000653111456 420116544 /nfs/dbraw/zinc/11/65/44/420116544.db2.gz OTVAQFCZXRHSKY-CYBMUJFWSA-N 2 0 268.405 -0.180 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653110387 420116558 /nfs/dbraw/zinc/11/65/58/420116558.db2.gz GQMJODHPDIPOPW-MDZLAQPJSA-N 2 0 253.346 -0.710 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653112587 420116649 /nfs/dbraw/zinc/11/66/49/420116649.db2.gz CLKDGBLJAFYSMI-WDMOLILDSA-N 2 0 265.357 -0.425 20 0 CBADRP O=C(NC1CC[NH+](C2CC2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653107489 420116801 /nfs/dbraw/zinc/11/68/01/420116801.db2.gz LVRFAPPJJUFVFG-NHYWBVRUSA-N 2 0 279.384 -0.035 20 0 CBADRP C[C@@H]1CN(C(=O)C2C[NH2+]C2)CCN1C1CC[NH+](C)CC1 ZINC000367824989 420117287 /nfs/dbraw/zinc/11/72/87/420117287.db2.gz QRDOREMOHZRZCH-GFCCVEGCSA-N 2 0 280.416 -0.167 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NCC[NH+]1CCCCC1 ZINC000653106980 420117505 /nfs/dbraw/zinc/11/75/05/420117505.db2.gz SVGFMTRKZPTCLD-LBPRGKRZSA-N 2 0 256.394 -0.133 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[N@@H+]1C ZINC000653119802 420120727 /nfs/dbraw/zinc/12/07/27/420120727.db2.gz WWNLOMZPAOWVRQ-CZXHOFHRSA-N 2 0 267.373 -0.179 20 0 CBADRP C[C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)[N@H+](C)C1CC1 ZINC000653116708 420120754 /nfs/dbraw/zinc/12/07/54/420120754.db2.gz PLPJSUFOPJTFJB-PWSUYJOCSA-N 2 0 256.394 -0.136 20 0 CBADRP O=C(N1CC[C@H]2CC[NH2+][C@@H]2C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653134095 420122214 /nfs/dbraw/zinc/12/22/14/420122214.db2.gz MEZQJHDZUZARDK-CZXHOFHRSA-N 2 0 265.357 -0.567 20 0 CBADRP O=C(N1CC[C@H]2[NH2+]CC[C@@H]2C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653143567 420122550 /nfs/dbraw/zinc/12/25/50/420122550.db2.gz TYYVKBYYZCTGTJ-CZXHOFHRSA-N 2 0 265.357 -0.567 20 0 CBADRP CC1(C)CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[NH2+]1 ZINC000653148391 420123084 /nfs/dbraw/zinc/12/30/84/420123084.db2.gz ZIPJPRXKNKNKQQ-GWCFXTLKSA-N 2 0 253.346 -0.567 20 0 CBADRP O=C(N1CC[C@@H]2[NH2+]CC[C@H]2C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653143569 420123203 /nfs/dbraw/zinc/12/32/03/420123203.db2.gz TYYVKBYYZCTGTJ-MNXVOIDGSA-N 2 0 265.357 -0.567 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000653147649 420123442 /nfs/dbraw/zinc/12/34/42/420123442.db2.gz YHHZGLWXYKOIKU-QJPTWQEYSA-N 2 0 254.378 -0.524 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368126183 420123784 /nfs/dbraw/zinc/12/37/84/420123784.db2.gz PMFCRLLHYQVYHB-UONOGXRCSA-N 2 0 280.416 -0.357 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)C[C@@]1(C)C[NH3+] ZINC000653162901 420124674 /nfs/dbraw/zinc/12/46/74/420124674.db2.gz SDNSWUQFYHTYNN-NQBHXWOUSA-N 2 0 256.394 -0.291 20 0 CBADRP O=C(NCC[N@@H+]1CCCOCC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653154671 420124821 /nfs/dbraw/zinc/12/48/21/420124821.db2.gz YCVOFQOKELQDHD-JSGCOSHPSA-N 2 0 283.372 -0.939 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653193020 420125583 /nfs/dbraw/zinc/12/55/83/420125583.db2.gz ADVQVHSHNIGKPT-SCRDCRAPSA-N 2 0 268.405 -0.147 20 0 CBADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[NH2+]CCO1)C2 ZINC000653198203 420128806 /nfs/dbraw/zinc/12/88/06/420128806.db2.gz MOEONZOYUQOHNL-GVXVVHGQSA-N 2 0 253.346 -0.438 20 0 CBADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000368324124 420128822 /nfs/dbraw/zinc/12/88/22/420128822.db2.gz MZJZGIBJLJAGLG-GFCCVEGCSA-N 2 0 268.405 -0.167 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@]2(COC)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000653248521 420129704 /nfs/dbraw/zinc/12/97/04/420129704.db2.gz VLYBBDWEPGAPSS-YRGRVCCFSA-N 2 0 285.388 -0.565 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@H]1C[NH3+] ZINC000653244127 420129749 /nfs/dbraw/zinc/12/97/49/420129749.db2.gz XYOLTNYUAYFSCJ-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP CCO[C@@H]1CN(C(=O)CC2(C[NH3+])CC2)C[C@H]1C[NH3+] ZINC000653248462 420129849 /nfs/dbraw/zinc/12/98/49/420129849.db2.gz SIMFVRLSDJFEBR-GHMZBOCLSA-N 2 0 255.362 -0.062 20 0 CBADRP CCO[C@@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)C[C@H]1C[NH3+] ZINC000653247801 420129882 /nfs/dbraw/zinc/12/98/82/420129882.db2.gz RQYCIAWBUSRLOO-IJLUTSLNSA-N 2 0 287.429 -0.096 20 0 CBADRP C[C@@H]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@H]1CC[NH3+] ZINC000653240407 420129948 /nfs/dbraw/zinc/12/99/48/420129948.db2.gz NLUBDUXGKZDSOI-UPJWGTAASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]1CCCN(C(=O)CNC(=O)C[NH3+])[C@@H]1CC[NH3+] ZINC000653240922 420130026 /nfs/dbraw/zinc/13/00/26/420130026.db2.gz VHLCCJUGAJXHTR-NXEZZACHSA-N 2 0 256.350 -0.963 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000653243363 420130220 /nfs/dbraw/zinc/13/02/20/420130220.db2.gz AMAUSXXONNAEBS-IJLUTSLNSA-N 2 0 255.362 -0.192 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[NH2+][C@H]2C)C[C@H]1C[NH3+] ZINC000653247949 420130267 /nfs/dbraw/zinc/13/02/67/420130267.db2.gz YXMPGTMMZADIJO-WHOHXGKFSA-N 2 0 255.362 -0.193 20 0 CBADRP CCO[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000653243998 420130385 /nfs/dbraw/zinc/13/03/85/420130385.db2.gz UHAOGIOFBWVFOZ-IJLUTSLNSA-N 2 0 271.361 -0.813 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)NCCC1CC[NH2+]CC1 ZINC000653268670 420134765 /nfs/dbraw/zinc/13/47/65/420134765.db2.gz ZMBCHMYVXUIENR-GFCCVEGCSA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000368603718 420137686 /nfs/dbraw/zinc/13/76/86/420137686.db2.gz NQWLYFQAJDGERA-DCAQKATOSA-N 2 0 259.325 -0.477 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@@H]2CO)C1=O ZINC000653285634 420137793 /nfs/dbraw/zinc/13/77/93/420137793.db2.gz UKXLBMGKOCBUSV-GHMZBOCLSA-N 2 0 269.345 -0.868 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000368597349 420137843 /nfs/dbraw/zinc/13/78/43/420137843.db2.gz IVAWCYRDZTUDER-TUAOUCFPSA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@@H](NC[C@H]2CCC[N@H+](C)C2)C1=O ZINC000653285114 420138160 /nfs/dbraw/zinc/13/81/60/420138160.db2.gz DFNKTIYDEQQAKA-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@H]2CC(F)(F)CN2)n1 ZINC000368632694 420138987 /nfs/dbraw/zinc/13/89/87/420138987.db2.gz OGUQJZRBEDXPAC-SECBINFHSA-N 2 0 287.314 0.380 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2CC(F)(F)CN2)CC1 ZINC000368632932 420139517 /nfs/dbraw/zinc/13/95/17/420139517.db2.gz PMAHNWSILPETDT-NSHDSACASA-N 2 0 290.358 -0.263 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCCC[NH3+] ZINC000652693848 420071613 /nfs/dbraw/zinc/07/16/13/420071613.db2.gz GTUOCXHNCGKHES-UHFFFAOYSA-N 2 0 270.377 -0.604 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652699229 420073590 /nfs/dbraw/zinc/07/35/90/420073590.db2.gz SQYCQVIVHIBCJQ-LBPRGKRZSA-N 2 0 284.404 -0.358 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCCC[N@H+](C)CC(C)C ZINC000652696927 420074255 /nfs/dbraw/zinc/07/42/55/420074255.db2.gz UJHLKRVFASYGQA-UHFFFAOYSA-N 2 0 272.393 -0.584 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000652705589 420076277 /nfs/dbraw/zinc/07/62/77/420076277.db2.gz KTZINKBIXZBYGF-ZDUSSCGKSA-N 2 0 298.431 -0.112 20 0 CBADRP CC[C@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[NH+](C)C ZINC000652734857 420078727 /nfs/dbraw/zinc/07/87/27/420078727.db2.gz YIHZTVXXUZWLLQ-GFCCVEGCSA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000652731311 420079996 /nfs/dbraw/zinc/07/99/96/420079996.db2.gz HITPNZFYOBCBSA-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000652731274 420080418 /nfs/dbraw/zinc/08/04/18/420080418.db2.gz GNPXRHPPIPUIMM-ZDUSSCGKSA-N 2 0 296.415 -0.262 20 0 CBADRP C[C@@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000370772007 420186810 /nfs/dbraw/zinc/18/68/10/420186810.db2.gz JCPRZSZGSWHTDS-GXTWGEPZSA-N 2 0 286.395 -0.312 20 0 CBADRP COC[C@@]1(C(=O)NC2CCC([NH3+])CC2)CC[NH2+]C1 ZINC000386330629 420202601 /nfs/dbraw/zinc/20/26/01/420202601.db2.gz MIAMNFBJGLMVSU-GCZXYKMCSA-N 2 0 255.362 -0.001 20 0 CBADRP CC[C@@H]([NH3+])c1cn(C[C@H](O)C[N@H+](C)CCOC)nn1 ZINC000388776457 420204048 /nfs/dbraw/zinc/20/40/48/420204048.db2.gz MPJAQGATCMHSNM-GHMZBOCLSA-N 2 0 271.365 -0.373 20 0 CBADRP C[NH2+][C@@H](C)c1cn(C[C@@H](O)C[N@H+](C)CCOC)nn1 ZINC000388647226 420204100 /nfs/dbraw/zinc/20/41/00/420204100.db2.gz YUTCKWZHKNZVFU-QWRGUYRKSA-N 2 0 271.365 -0.502 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000388502743 420206092 /nfs/dbraw/zinc/20/60/92/420206092.db2.gz HPACNBVQCDCKHO-VXGBXAGGSA-N 2 0 291.417 -0.669 20 0 CBADRP C[C@H]([NH2+]C[C@H](O)CN1CCOCC1)C1CC[NH+](C)CC1 ZINC000396458360 420211945 /nfs/dbraw/zinc/21/19/45/420211945.db2.gz OIHBRQMSWUMCFN-ZFWWWQNUSA-N 2 0 285.432 -0.001 20 0 CBADRP C[N@@H+]1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CC1(C)C ZINC000655051746 420213672 /nfs/dbraw/zinc/21/36/72/420213672.db2.gz HHFVDCUAUQEMDR-ZDUSSCGKSA-N 2 0 280.416 -0.071 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000653541357 420147798 /nfs/dbraw/zinc/14/77/98/420147798.db2.gz MTJKNXBBDVVLKV-CHWSQXEVSA-N 2 0 259.394 -0.703 20 0 CBADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000653663792 420156396 /nfs/dbraw/zinc/15/63/96/420156396.db2.gz KAMLTAXHXFWGKZ-WDEREUQCSA-N 2 0 257.378 -0.054 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@]12CCNC2=O ZINC000653717281 420157059 /nfs/dbraw/zinc/15/70/59/420157059.db2.gz ODASTADPBMJSMR-TZMCWYRMSA-N 2 0 285.388 -0.720 20 0 CBADRP COCCN(C)C[C@H](O)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000653694622 420158017 /nfs/dbraw/zinc/15/80/17/420158017.db2.gz LGVDHZSJWUUESA-WUHRBBMRSA-N 2 0 258.362 -0.904 20 0 CBADRP CS(=O)(=O)N1CC[C@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000400194168 420221260 /nfs/dbraw/zinc/22/12/60/420221260.db2.gz NWCVTJLQQDMGQZ-NSHDSACASA-N 2 0 261.391 -0.391 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CCC(CO)(OC)CC1 ZINC000401880252 420222579 /nfs/dbraw/zinc/22/25/79/420222579.db2.gz PZFUAYKAZSLBGG-GFCCVEGCSA-N 2 0 260.378 -0.228 20 0 CBADRP C[C@@H]1CCC[N@H+](CCN2C(=O)CNC2=O)[C@H]1CC[NH3+] ZINC000404288414 420224144 /nfs/dbraw/zinc/22/41/44/420224144.db2.gz JGHCQQHNETZERJ-MNOVXSKESA-N 2 0 268.361 -0.013 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000405075882 420227317 /nfs/dbraw/zinc/22/73/17/420227317.db2.gz JPABICXJVCOPKO-CHWSQXEVSA-N 2 0 297.403 -0.316 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655244181 420234322 /nfs/dbraw/zinc/23/43/22/420234322.db2.gz NRZOHJYHPIFDSJ-MQYQWHSLSA-N 2 0 299.415 -0.069 20 0 CBADRP C[NH+](C)CCCCC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655297239 420241392 /nfs/dbraw/zinc/24/13/92/420241392.db2.gz HNZRODMFNKKUQR-QWHCGFSZSA-N 2 0 269.389 -0.004 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655298010 420241759 /nfs/dbraw/zinc/24/17/59/420241759.db2.gz ZDLWBCSQEQSOQR-TUAOUCFPSA-N 2 0 253.346 -0.642 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419130647 420242834 /nfs/dbraw/zinc/24/28/34/420242834.db2.gz BIYFBZQATWFEOX-WOPDTQHZSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000418947448 420243017 /nfs/dbraw/zinc/24/30/17/420243017.db2.gz PQXGANHVGHXEIL-ZJUUUORDSA-N 2 0 258.366 -0.704 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000418936884 420243592 /nfs/dbraw/zinc/24/35/92/420243592.db2.gz KOBTZQVSHGIPKC-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418932229 420243779 /nfs/dbraw/zinc/24/37/79/420243779.db2.gz HQHWWZOMYQQNJC-AGIUHOORSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000419553937 420245519 /nfs/dbraw/zinc/24/55/19/420245519.db2.gz ZBWODMARACDTPD-NSHDSACASA-N 2 0 286.420 -0.243 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000419582144 420245750 /nfs/dbraw/zinc/24/57/50/420245750.db2.gz JEFWNJCXPONDRB-UTUOFQBUSA-N 2 0 296.415 -0.029 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000419242831 420246214 /nfs/dbraw/zinc/24/62/14/420246214.db2.gz RQXBNLBUNASTJD-VXGBXAGGSA-N 2 0 296.415 -0.027 20 0 CBADRP CN1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000655419324 420247565 /nfs/dbraw/zinc/24/75/65/420247565.db2.gz SICKEUWJYVCADS-RYUDHWBXSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]C2)CCO1 ZINC000655419214 420248378 /nfs/dbraw/zinc/24/83/78/420248378.db2.gz OPMUIDNGFHSMGT-TUAOUCFPSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000420156764 420248756 /nfs/dbraw/zinc/24/87/56/420248756.db2.gz NURHFJSUHXIMEE-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000655449777 420249733 /nfs/dbraw/zinc/24/97/33/420249733.db2.gz OLJXQXDUBBBDIZ-QWHCGFSZSA-N 2 0 268.405 -0.167 20 0 CBADRP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000655460939 420253234 /nfs/dbraw/zinc/25/32/34/420253234.db2.gz FRCHZSAETDZRSY-DZKIICNBSA-N 2 0 292.427 -0.118 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655464344 420253878 /nfs/dbraw/zinc/25/38/78/420253878.db2.gz FXSNUQDQQOTIRM-SGMGOOAPSA-N 2 0 267.373 -0.129 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000655489696 420255948 /nfs/dbraw/zinc/25/59/48/420255948.db2.gz ZTGPJLWQISFMPA-FRRDWIJNSA-N 2 0 296.415 -0.299 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000422961632 420256102 /nfs/dbraw/zinc/25/61/02/420256102.db2.gz CPJAOUSKMQCGQS-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H]([NH3+])CN1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000442665108 420290894 /nfs/dbraw/zinc/29/08/94/420290894.db2.gz OCQZNKLVZVVDJN-CYBMUJFWSA-N 2 0 268.405 -0.036 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000427854445 420267684 /nfs/dbraw/zinc/26/76/84/420267684.db2.gz AVXBAKIMWCOKGH-NXEZZACHSA-N 2 0 254.334 -0.532 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655755284 420270501 /nfs/dbraw/zinc/27/05/01/420270501.db2.gz WEHLWXDHGNMHAI-CABCVRRESA-N 2 0 283.416 -0.104 20 0 CBADRP C[NH+](C)C1CN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655923395 420279184 /nfs/dbraw/zinc/27/91/84/420279184.db2.gz WRSNIOVBMRKZIO-ZETCQYMHSA-N 2 0 254.256 -0.169 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655968090 420284050 /nfs/dbraw/zinc/28/40/50/420284050.db2.gz MCDWOASKZYETJM-CHWFTXMASA-N 2 0 256.350 -0.818 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655965095 420284273 /nfs/dbraw/zinc/28/42/73/420284273.db2.gz NENJSEXZVOZOCD-OUAUKWLOSA-N 2 0 256.350 -0.816 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]1 ZINC000655967023 420285141 /nfs/dbraw/zinc/28/51/41/420285141.db2.gz KRMQVCHBISJGBI-MROQNXINSA-N 2 0 282.388 -0.413 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655968129 420285716 /nfs/dbraw/zinc/28/57/16/420285716.db2.gz NDBKFQMQBWVTRX-GARJFASQSA-N 2 0 256.350 -0.816 20 0 CBADRP C[NH+](C)CCCn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000656437546 420309619 /nfs/dbraw/zinc/30/96/19/420309619.db2.gz WXBBLNWSNUVYRD-UHFFFAOYSA-N 2 0 266.393 -0.023 20 0 CBADRP [NH3+]C[C@@H](O)CCc1cn(CCC[NH+]2CCSCC2)nn1 ZINC000656450226 420309668 /nfs/dbraw/zinc/30/96/68/420309668.db2.gz OCJOYYMJTXSRAI-ZDUSSCGKSA-N 2 0 299.444 -0.031 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)N[C@H](CO)C[NH+](C)C ZINC000673522110 544877455 /nfs/dbraw/zinc/87/74/55/544877455.db2.gz SUHNEJVZHQXEPN-JTQLQIEISA-N 2 0 266.345 -0.200 20 0 CBADRP C[C@H](Cn1cncn1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000657847338 420364337 /nfs/dbraw/zinc/36/43/37/420364337.db2.gz URIDDSRYDKOYMN-NEPJUHHUSA-N 2 0 253.350 -0.287 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N[C@@H](CO)CN2CCOCC2)CC[N@@H+]1C ZINC000508342526 420355005 /nfs/dbraw/zinc/35/50/05/420355005.db2.gz ZQLHGRWZSGAHGA-MELADBBJSA-N 2 0 299.415 -0.474 20 0 CBADRP [NH3+]CCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656019143 420291973 /nfs/dbraw/zinc/29/19/73/420291973.db2.gz AEVXZHQANGMXRE-NEPJUHHUSA-N 2 0 282.388 -0.416 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000656024768 420293123 /nfs/dbraw/zinc/29/31/23/420293123.db2.gz QFQFHGWOUUOMHR-ADEWGFFLSA-N 2 0 282.388 -0.704 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656022118 420293269 /nfs/dbraw/zinc/29/32/69/420293269.db2.gz BYNNOMFIQOONJA-JHJVBQTASA-N 2 0 296.415 -0.027 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000656022030 420293310 /nfs/dbraw/zinc/29/33/10/420293310.db2.gz SBOXKTPCYXDJIJ-NDBYEHHHSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000656022032 420293621 /nfs/dbraw/zinc/29/36/21/420293621.db2.gz SBOXKTPCYXDJIJ-ZDEQEGDKSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656021999 420293654 /nfs/dbraw/zinc/29/36/54/420293654.db2.gz RHBDHGWGYHAGJZ-SDDRHHMPSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656022701 420294182 /nfs/dbraw/zinc/29/41/82/420294182.db2.gz KLABPLRMZHZSOI-FRRDWIJNSA-N 2 0 296.415 -0.170 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000656028501 420294635 /nfs/dbraw/zinc/29/46/35/420294635.db2.gz LXEKPCQESZATBP-AVGNSLFASA-N 2 0 294.399 -0.321 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656028454 420294729 /nfs/dbraw/zinc/29/47/29/420294729.db2.gz LFUWPVUAOZWIRU-UPJWGTAASA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656028452 420295110 /nfs/dbraw/zinc/29/51/10/420295110.db2.gz LFUWPVUAOZWIRU-FRRDWIJNSA-N 2 0 296.415 -0.075 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656028057 420295321 /nfs/dbraw/zinc/29/53/21/420295321.db2.gz IBGQHDGKBNBTEI-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[NH2+]CC1 ZINC000656027774 420295336 /nfs/dbraw/zinc/29/53/36/420295336.db2.gz DQQORJNKCULYMB-QWHCGFSZSA-N 2 0 294.399 -0.449 20 0 CBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000656104559 420299003 /nfs/dbraw/zinc/29/90/03/420299003.db2.gz QKHWRCNSGZOSAF-UHFFFAOYSA-N 2 0 284.404 -0.264 20 0 CBADRP C[C@H]1CN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC000517031124 420369166 /nfs/dbraw/zinc/36/91/66/420369166.db2.gz HJTXUQBDSDKSJZ-LBPRGKRZSA-N 2 0 277.372 -0.218 20 0 CBADRP C[C@@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@H](C)[NH3+] ZINC000517370432 420376285 /nfs/dbraw/zinc/37/62/85/420376285.db2.gz YCQJCCPRPYGLCA-AEJSXWLSSA-N 2 0 256.350 -0.903 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000517565205 420377365 /nfs/dbraw/zinc/37/73/65/420377365.db2.gz UPLCSHPEQHWUME-NEPJUHHUSA-N 2 0 284.404 -0.040 20 0 CBADRP C[C@@]1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCC[NH2+]C1 ZINC000517569769 420378754 /nfs/dbraw/zinc/37/87/54/420378754.db2.gz NVZJKLQKKDUUAI-DZGCQCFKSA-N 2 0 280.416 -0.118 20 0 CBADRP COC[C@]1(CNC(=O)C[C@@H]2COCC[NH2+]2)CCC[NH2+]1 ZINC000519385099 420381306 /nfs/dbraw/zinc/38/13/06/420381306.db2.gz PTTWHUOKIUEFFY-DGCLKSJQSA-N 2 0 271.361 -0.750 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000518715802 420381588 /nfs/dbraw/zinc/38/15/88/420381588.db2.gz VEEMYIPRVZDVFU-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000519654820 420385524 /nfs/dbraw/zinc/38/55/24/420385524.db2.gz VWRQQBMAUMHLLX-VXGBXAGGSA-N 2 0 253.346 -0.282 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000519655150 420386829 /nfs/dbraw/zinc/38/68/29/420386829.db2.gz YHDXIKNKANOXSN-UHFFFAOYSA-N 2 0 255.362 -0.094 20 0 CBADRP CCN(C(=O)C(=O)N(C)Cc1c[nH]cn1)[C@@H]1CC[N@H+](C)C1 ZINC000658801743 420388709 /nfs/dbraw/zinc/38/87/09/420388709.db2.gz FQGTXKICIHJEHL-GFCCVEGCSA-N 2 0 293.371 -0.079 20 0 CBADRP CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000658806650 420389374 /nfs/dbraw/zinc/38/93/74/420389374.db2.gz IBPGJDMSZKPJKE-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)[NH+](C)C ZINC000674289352 544903217 /nfs/dbraw/zinc/90/32/17/544903217.db2.gz DZCDZXQUADUQLD-LBPRGKRZSA-N 2 0 298.431 -0.147 20 0 CBADRP COC[C@@]1(C(=O)NCC[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000516921508 420365487 /nfs/dbraw/zinc/36/54/87/420365487.db2.gz LVLYJOWIIOXZQS-DGCLKSJQSA-N 2 0 255.362 -0.129 20 0 CBADRP Cn1ccnc1[C@H]1C[NH2+]CCN1CCN1CC[NH2+]CC1 ZINC000516927414 420366421 /nfs/dbraw/zinc/36/64/21/420366421.db2.gz LYMHMPGKLAYLQG-CYBMUJFWSA-N 2 0 278.404 -0.728 20 0 CBADRP Cn1[nH]c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nc1=O ZINC000516971245 420367056 /nfs/dbraw/zinc/36/70/56/420367056.db2.gz PKKKVAZOLQTYMC-QWRGUYRKSA-N 2 0 265.361 -0.070 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@H]([NH2+]C[C@@H]2CCCCO2)C1=O ZINC000516935308 420367368 /nfs/dbraw/zinc/36/73/68/420367368.db2.gz SCMFGFWYJNOXSZ-RYUDHWBXSA-N 2 0 283.372 -0.166 20 0 CBADRP CO[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C(C)C ZINC000516965274 420367832 /nfs/dbraw/zinc/36/78/32/420367832.db2.gz NHOWWEAYWHMHJU-UONOGXRCSA-N 2 0 273.421 -0.145 20 0 CBADRP CC(=O)N1CC[C@@]([NH3+])(C(=O)N[C@@H](C[NH3+])CC(C)C)C1 ZINC000659297796 420408105 /nfs/dbraw/zinc/40/81/05/420408105.db2.gz RAUMXEIQAVOJQO-YPMHNXCESA-N 2 0 270.377 -0.574 20 0 CBADRP C[N@H+](CCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C1CC1 ZINC000659454590 420420053 /nfs/dbraw/zinc/42/00/53/420420053.db2.gz KYAVKRYLDIIIKQ-UHFFFAOYSA-N 2 0 294.359 -0.466 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000659451262 420420173 /nfs/dbraw/zinc/42/01/73/420420173.db2.gz DGXFCMJILRADMC-RYUDHWBXSA-N 2 0 271.409 -0.471 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000659451264 420420231 /nfs/dbraw/zinc/42/02/31/420420231.db2.gz DGXFCMJILRADMC-VXGBXAGGSA-N 2 0 271.409 -0.471 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC1([NH3+])CCCC1 ZINC000659453879 420420316 /nfs/dbraw/zinc/42/03/16/420420316.db2.gz UWMXNOGREFFRFU-LBPRGKRZSA-N 2 0 283.420 -0.197 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000659453587 420420703 /nfs/dbraw/zinc/42/07/03/420420703.db2.gz OFCLFULUXJPYHK-MNOVXSKESA-N 2 0 257.382 -0.861 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000659458819 420421585 /nfs/dbraw/zinc/42/15/85/420421585.db2.gz UKDKQTPXHQDNEL-QWRGUYRKSA-N 2 0 258.366 -0.386 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)NCCOCC[NH+](C)C ZINC000659483957 420423228 /nfs/dbraw/zinc/42/32/28/420423228.db2.gz DHXKCJNZLQAHLN-UHFFFAOYSA-N 2 0 260.382 -0.057 20 0 CBADRP C[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+](C)C ZINC000659500321 420423987 /nfs/dbraw/zinc/42/39/87/420423987.db2.gz BZSKNQOUXJLDCG-QMMMGPOBSA-N 2 0 282.348 -0.610 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000659496143 420424207 /nfs/dbraw/zinc/42/42/07/420424207.db2.gz KDQORANOMRITAI-NSHDSACASA-N 2 0 258.366 -0.384 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000659329264 420413048 /nfs/dbraw/zinc/41/30/48/420413048.db2.gz GFQFHQWYXDIZPY-NKWVEPMBSA-N 2 0 257.256 -0.256 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)nn1 ZINC000659327032 420413147 /nfs/dbraw/zinc/41/31/47/420413147.db2.gz GHUQUFXPLIHOKP-LLVKDONJSA-N 2 0 278.360 -0.359 20 0 CBADRP [NH3+]CCn1cc(C(=O)NCc2ccc(C[NH3+])cc2F)nn1 ZINC000659328895 420413225 /nfs/dbraw/zinc/41/32/25/420413225.db2.gz QSXXVDXDJLZCQJ-UHFFFAOYSA-N 2 0 292.318 -0.235 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000659358450 420414201 /nfs/dbraw/zinc/41/42/01/420414201.db2.gz QNCDEJSJMRHIHT-GFCCVEGCSA-N 2 0 284.404 -0.536 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000681112578 545043955 /nfs/dbraw/zinc/04/39/55/545043955.db2.gz DXMKHGILPDTUCS-LBPRGKRZSA-N 2 0 272.393 -0.306 20 0 CBADRP [NH3+]C1(CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCCC1 ZINC000659575263 420435292 /nfs/dbraw/zinc/43/52/92/420435292.db2.gz KWJHMEMJSHBUNR-ZDUSSCGKSA-N 2 0 295.431 -0.053 20 0 CBADRP CC[N@@H+]1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C[C@@H]1C ZINC000677930640 545008837 /nfs/dbraw/zinc/00/88/37/545008837.db2.gz DLVDKGZCELXIML-KBPBESRZSA-N 2 0 280.416 -0.071 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)NCCCN1CC[NH2+]CC1 ZINC000659506374 420424617 /nfs/dbraw/zinc/42/46/17/420424617.db2.gz RHEPZCFCWQSBKJ-CYBMUJFWSA-N 2 0 285.436 -0.046 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CC[NH2+]CC1 ZINC000659504434 420424671 /nfs/dbraw/zinc/42/46/71/420424671.db2.gz CVFIFHYFQCWJPN-UHFFFAOYSA-N 2 0 299.419 -0.600 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000659519531 420427516 /nfs/dbraw/zinc/42/75/16/420427516.db2.gz RPTYBYCVFKOYCZ-LBPRGKRZSA-N 2 0 299.419 -0.615 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000659518232 420427691 /nfs/dbraw/zinc/42/76/91/420427691.db2.gz WWDLOQZVSCGXPC-LBPRGKRZSA-N 2 0 299.419 -0.600 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000659542922 420431491 /nfs/dbraw/zinc/43/14/91/420431491.db2.gz RWBUBGWCNAGDAE-JQWIXIFHSA-N 2 0 258.366 -0.338 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000659546472 420431687 /nfs/dbraw/zinc/43/16/87/420431687.db2.gz CHLGBDFGNMTJMA-WYUUTHIRSA-N 2 0 252.362 -0.012 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000659542923 420431740 /nfs/dbraw/zinc/43/17/40/420431740.db2.gz RWBUBGWCNAGDAE-PWSUYJOCSA-N 2 0 258.366 -0.338 20 0 CBADRP [NH3+]C1(CNC(=O)NC[C@@H]2C[NH2+]CCCO2)CCCC1 ZINC000659550301 420432124 /nfs/dbraw/zinc/43/21/24/420432124.db2.gz QEBGHYYIBYIACF-NSHDSACASA-N 2 0 270.377 -0.064 20 0 CBADRP Cn1cc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn1 ZINC000679972863 545034937 /nfs/dbraw/zinc/03/49/37/545034937.db2.gz IRYQHCIZTACBRH-UHFFFAOYSA-N 2 0 297.407 -0.550 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000680834143 545040699 /nfs/dbraw/zinc/04/06/99/545040699.db2.gz BJKJNZPJAMNHAZ-UKRRQHHQSA-N 2 0 296.415 -0.164 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000659750973 420467349 /nfs/dbraw/zinc/46/73/49/420467349.db2.gz ROROBLLDJDMKED-XQQFMLRXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000659751340 420467637 /nfs/dbraw/zinc/46/76/37/420467637.db2.gz TZZAKDNQVUQYJJ-NSHDSACASA-N 2 0 284.404 -0.489 20 0 CBADRP CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000683230083 545063406 /nfs/dbraw/zinc/06/34/06/545063406.db2.gz UDLOJVBYKHGNLJ-VXGBXAGGSA-N 2 0 292.449 -0.109 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000659753945 420467960 /nfs/dbraw/zinc/46/79/60/420467960.db2.gz OHVGFYCMAAKPSL-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000659753979 420468010 /nfs/dbraw/zinc/46/80/10/420468010.db2.gz CADWBCFTWJQWAR-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000659754474 420468314 /nfs/dbraw/zinc/46/83/14/420468314.db2.gz UWPGJXVUACJFFB-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000659754287 420468345 /nfs/dbraw/zinc/46/83/45/420468345.db2.gz DFQFLOVGUYQTPZ-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000659754321 420468399 /nfs/dbraw/zinc/46/83/99/420468399.db2.gz DUYKXEORLKTDNG-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000659753252 420468572 /nfs/dbraw/zinc/46/85/72/420468572.db2.gz PCYBILFQPOBNIK-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000659758028 420468873 /nfs/dbraw/zinc/46/88/73/420468873.db2.gz XFVPZUROGADKLP-GFCCVEGCSA-N 2 0 286.420 -0.243 20 0 CBADRP COCC[C@@]1(C(=O)NCCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000378185509 230315135 /nfs/dbraw/zinc/31/51/35/230315135.db2.gz XIZWLQHCUXHMGG-AWEZNQCLSA-N 2 0 284.404 -0.976 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000659756791 420469045 /nfs/dbraw/zinc/46/90/45/420469045.db2.gz SJCQMDCKWZSQDO-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659615161 420438960 /nfs/dbraw/zinc/43/89/60/420438960.db2.gz HUXFKVUMLUDKHV-GDKBPFBDSA-N 2 0 268.361 -0.896 20 0 CBADRP C[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000493952270 230341420 /nfs/dbraw/zinc/34/14/20/230341420.db2.gz JGBPCEWULUJWPZ-WOPDTQHZSA-N 2 0 256.394 -0.278 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)NCCNc1cc[nH+]cc1 ZINC000659635210 420439853 /nfs/dbraw/zinc/43/98/53/420439853.db2.gz BIJSSUCQURDJAI-SNVBAGLBSA-N 2 0 251.334 -0.178 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494700819 230362188 /nfs/dbraw/zinc/36/21/88/230362188.db2.gz XLQNEPJAFJRWAF-STQMWFEESA-N 2 0 296.415 -0.025 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659636248 420442349 /nfs/dbraw/zinc/44/23/49/420442349.db2.gz OHVUOWUDKAZLPP-NSHDSACASA-N 2 0 287.408 -0.744 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000659643271 420443063 /nfs/dbraw/zinc/44/30/63/420443063.db2.gz PTUQGCNHGKIWGR-NEPJUHHUSA-N 2 0 272.393 -0.260 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000659641860 420443306 /nfs/dbraw/zinc/44/33/06/420443306.db2.gz IVBASZYJVLMYLN-RYUDHWBXSA-N 2 0 299.419 -0.377 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000659642093 420443425 /nfs/dbraw/zinc/44/34/25/420443425.db2.gz JFXIIPGPERYYIR-NWDGAFQWSA-N 2 0 269.393 -0.717 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000659641859 420443603 /nfs/dbraw/zinc/44/36/03/420443603.db2.gz IVBASZYJVLMYLN-NWDGAFQWSA-N 2 0 299.419 -0.377 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000659647203 420443616 /nfs/dbraw/zinc/44/36/16/420443616.db2.gz LXHSRYMCTNLIMQ-QWHCGFSZSA-N 2 0 284.404 -0.042 20 0 CBADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000659673727 420446223 /nfs/dbraw/zinc/44/62/23/420446223.db2.gz GSLNPQCECKFPJI-LBPRGKRZSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000659674755 420447021 /nfs/dbraw/zinc/44/70/21/420447021.db2.gz VOZMXRZMQYMEME-NSHDSACASA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@@H+]1C ZINC000659679564 420447301 /nfs/dbraw/zinc/44/73/01/420447301.db2.gz ZLLLFECZEJJACO-NGWKBDRKSA-N 2 0 294.399 -0.547 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000659677523 420447587 /nfs/dbraw/zinc/44/75/87/420447587.db2.gz DMLJJLTZWBRJII-GARJFASQSA-N 2 0 270.377 -0.691 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC[N@@H+]1C ZINC000659679533 420447862 /nfs/dbraw/zinc/44/78/62/420447862.db2.gz ZIPXYXFALHABKP-BVWOZKJXSA-N 2 0 294.399 -0.465 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000659681541 420447873 /nfs/dbraw/zinc/44/78/73/420447873.db2.gz JKZIEYARILBCKH-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659685972 420448598 /nfs/dbraw/zinc/44/85/98/420448598.db2.gz ARGNZJMLYMQNAB-JTQLQIEISA-N 2 0 272.393 -0.362 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659685805 420448759 /nfs/dbraw/zinc/44/87/59/420448759.db2.gz PHYYOABTHRQDMG-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659687102 420448865 /nfs/dbraw/zinc/44/88/65/420448865.db2.gz QOSUJDQDVBREHA-UWVGGRQHSA-N 2 0 268.361 -0.937 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000659688629 420450051 /nfs/dbraw/zinc/45/00/51/420450051.db2.gz DGEOFQLZJBFXAW-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000659697267 420450737 /nfs/dbraw/zinc/45/07/37/420450737.db2.gz WCSYNWSGZSWELU-QWRGUYRKSA-N 2 0 284.404 -0.443 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000659695096 420450853 /nfs/dbraw/zinc/45/08/53/420450853.db2.gz VHOZIHWPWUPXNH-UHFFFAOYSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000659696318 420450866 /nfs/dbraw/zinc/45/08/66/420450866.db2.gz KUEHJMRCIFLUFK-ODWCKFRGSA-N 2 0 296.415 -0.158 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCC1([NH3+])CCCC1)C1CC1 ZINC000659699954 420451588 /nfs/dbraw/zinc/45/15/88/420451588.db2.gz XXZSFLBFRYCIEX-UHFFFAOYSA-N 2 0 296.415 -0.025 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659699105 420451855 /nfs/dbraw/zinc/45/18/55/420451855.db2.gz LKINTTKASRLYFV-MNOVXSKESA-N 2 0 272.393 -0.443 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000659701817 420451887 /nfs/dbraw/zinc/45/18/87/420451887.db2.gz JUPGWOXHVVEIAE-GHMZBOCLSA-N 2 0 282.388 -0.523 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000659701771 420452055 /nfs/dbraw/zinc/45/20/55/420452055.db2.gz JJRUSAQFYPBOIY-TUAOUCFPSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])C1=CC[N@H+](C)CC1 ZINC000659701424 420452128 /nfs/dbraw/zinc/45/21/28/420452128.db2.gz DRBVEDPPNHHAMH-NSHDSACASA-N 2 0 296.415 -0.051 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659698186 420452183 /nfs/dbraw/zinc/45/21/83/420452183.db2.gz AGFDMGRNGPUWSW-XIKARTHZSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000659700714 420452316 /nfs/dbraw/zinc/45/23/16/420452316.db2.gz SMLOZUMQRDJICX-MNOVXSKESA-N 2 0 286.420 -0.197 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000659702556 420453391 /nfs/dbraw/zinc/45/33/91/420453391.db2.gz PVFYUKSFLNTGCR-NXEZZACHSA-N 2 0 270.377 -0.691 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659708167 420453819 /nfs/dbraw/zinc/45/38/19/420453819.db2.gz NMYRPUYESFFGSC-XIKARTHZSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000659709001 420454193 /nfs/dbraw/zinc/45/41/93/420454193.db2.gz CSGAHXLKHFQWMT-LBPRGKRZSA-N 2 0 286.420 -0.055 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000659709570 420454420 /nfs/dbraw/zinc/45/44/20/420454420.db2.gz JEWTXDXCOPENKQ-GFCCVEGCSA-N 2 0 282.388 -0.545 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000659710529 420455370 /nfs/dbraw/zinc/45/53/70/420455370.db2.gz RTHCRAGCIXEFAZ-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](CCC)C1 ZINC000659712119 420455991 /nfs/dbraw/zinc/45/59/91/420455991.db2.gz IAVZUCZCYZPFAP-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000659726214 420459928 /nfs/dbraw/zinc/45/99/28/420459928.db2.gz IGKPWRPVMOIFNW-PHIMTYICSA-N 2 0 284.404 -0.362 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000659726261 420460234 /nfs/dbraw/zinc/46/02/34/420460234.db2.gz IQABSBFBGSKMLD-YNEHKIRRSA-N 2 0 296.415 -0.156 20 0 CBADRP O=C(Nc1ccn([C@@H]2CC[NH2+]C2)n1)[C@]12C[C@H]1CC[NH2+]2 ZINC000574684052 420461371 /nfs/dbraw/zinc/46/13/71/420461371.db2.gz VXDYMWSMUYQPMF-BREBYQMCSA-N 2 0 261.329 0.108 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000659738137 420462810 /nfs/dbraw/zinc/46/28/10/420462810.db2.gz AIVZCIYSNAADMU-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659738962 420463166 /nfs/dbraw/zinc/46/31/66/420463166.db2.gz BNBXDLIRBXREPB-CVZZAPKMSA-N 2 0 280.372 -0.935 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000659738861 420463435 /nfs/dbraw/zinc/46/34/35/420463435.db2.gz JGSBJANWGPKUDG-IUODEOHRSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000659738278 420463490 /nfs/dbraw/zinc/46/34/90/420463490.db2.gz DGKIDVFMPMNNHF-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[NH2+]C)C1 ZINC000659738157 420463545 /nfs/dbraw/zinc/46/35/45/420463545.db2.gz AUBZCPZFUVHQLZ-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659738508 420463592 /nfs/dbraw/zinc/46/35/92/420463592.db2.gz FGAMJZCUDBYXJR-AVERBVTBSA-N 2 0 294.399 -0.545 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659740896 420464140 /nfs/dbraw/zinc/46/41/40/420464140.db2.gz QMCCELMFBDECSO-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659740885 420464315 /nfs/dbraw/zinc/46/43/15/420464315.db2.gz FHWQZQXSXJWYNF-UHFFFAOYSA-N 2 0 294.399 -0.591 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH2+]C)C2)C1 ZINC000659739304 420464529 /nfs/dbraw/zinc/46/45/29/420464529.db2.gz QMSGXKYVNMDCIF-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000659739238 420464549 /nfs/dbraw/zinc/46/45/49/420464549.db2.gz OKRJTRNHIMGKDB-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000659739046 420464636 /nfs/dbraw/zinc/46/46/36/420464636.db2.gz MAAIDTMFSGNZQF-XQQFMLRXSA-N 2 0 294.399 -0.735 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000659739301 420465082 /nfs/dbraw/zinc/46/50/82/420465082.db2.gz QLBPHKAIAZTFRO-UPJWGTAASA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000659739508 420465111 /nfs/dbraw/zinc/46/51/11/420465111.db2.gz WLXRDRKWPYYXAF-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH2+]C)C2)C1 ZINC000659739305 420465296 /nfs/dbraw/zinc/46/52/96/420465296.db2.gz QMSGXKYVNMDCIF-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000659750242 420466974 /nfs/dbraw/zinc/46/69/74/420466974.db2.gz FNSYVYAUILYXKU-WDEREUQCSA-N 2 0 270.377 -0.737 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000659749993 420467080 /nfs/dbraw/zinc/46/70/80/420467080.db2.gz LHRUIOZUTAVOHZ-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659749824 420467153 /nfs/dbraw/zinc/46/71/53/420467153.db2.gz KEYDYJFQDVUIQV-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[N@H+](C)C[C@@H](O)CN(C)[C@]1(CO)CCOC1 ZINC000660240025 420487287 /nfs/dbraw/zinc/48/72/87/420487287.db2.gz UTLFRCIGWBALMV-OLZOCXBDSA-N 2 0 260.378 -0.229 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000517338036 260148509 /nfs/dbraw/zinc/14/85/09/260148509.db2.gz BEYFXGUMXGYHNI-MRVWCRGKSA-N 2 0 295.431 -0.328 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[N@H+](CC[C@H]3CCOC3)CCN2C1=O ZINC000521646512 260198727 /nfs/dbraw/zinc/19/87/27/260198727.db2.gz VYAKQBQTBKGTLG-SDDRHHMPSA-N 2 0 253.346 -0.343 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000517926855 260318428 /nfs/dbraw/zinc/31/84/28/260318428.db2.gz UVACTECZGJEHSZ-LXTVHRRPSA-N 2 0 297.443 -0.002 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000517926853 260318766 /nfs/dbraw/zinc/31/87/66/260318766.db2.gz UVACTECZGJEHSZ-KBUPBQIOSA-N 2 0 297.443 -0.002 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000517932483 260320221 /nfs/dbraw/zinc/32/02/21/260320221.db2.gz MFGDLDMYSWRORC-SDDRHHMPSA-N 2 0 280.372 -0.935 20 0 CBADRP CCC[C@@H](O)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000517936196 260321003 /nfs/dbraw/zinc/32/10/03/260321003.db2.gz SHZJSOQSFLLDNL-CHWSQXEVSA-N 2 0 259.394 -0.655 20 0 CBADRP CC[C@](C)(C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)OC ZINC000521031014 262199659 /nfs/dbraw/zinc/19/96/59/262199659.db2.gz MKWDYOREARSURX-ZIAGYGMSSA-N 2 0 273.421 -0.001 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000518941569 265234759 /nfs/dbraw/zinc/23/47/59/265234759.db2.gz KJQHLRZFEZDMOF-MNOVXSKESA-N 2 0 255.366 -0.977 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000519156806 265336400 /nfs/dbraw/zinc/33/64/00/265336400.db2.gz PBOMDPTWHMYWAK-GHMZBOCLSA-N 2 0 268.361 -0.996 20 0 CBADRP C[NH+](C)CCCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000080976251 269565679 /nfs/dbraw/zinc/56/56/79/269565679.db2.gz LLNQFSRIMQZDAA-LBPRGKRZSA-N 2 0 284.404 -0.536 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC[C@@H](C)C[NH2+]C)CC1 ZINC000236843735 269579013 /nfs/dbraw/zinc/57/90/13/269579013.db2.gz FESXRMZDPCGGDG-LBPRGKRZSA-N 2 0 256.394 -0.404 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)c1cn(CCC[NH3+])nn1 ZINC000517230487 269596014 /nfs/dbraw/zinc/59/60/14/269596014.db2.gz KPPQSSRYKHPFIP-JTQLQIEISA-N 2 0 268.365 -0.270 20 0 CBADRP CN(CCC[N@H+](C)CC1(CO)COC1)CC[NH+](C)C ZINC000517258111 269597142 /nfs/dbraw/zinc/59/71/42/269597142.db2.gz SGOHWJABWOCJLQ-UHFFFAOYSA-N 2 0 273.421 -0.189 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000520579315 269600588 /nfs/dbraw/zinc/60/05/88/269600588.db2.gz LVSCDAMWYANZCC-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@H]1COCC[NH2+]1 ZINC000529292768 269630363 /nfs/dbraw/zinc/63/03/63/269630363.db2.gz VKDWYXCQTXAPOM-NEPJUHHUSA-N 2 0 282.388 -0.242 20 0 CBADRP CCCN(C(=O)C[C@H]1COCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000367649967 275987420 /nfs/dbraw/zinc/98/74/20/275987420.db2.gz YFYBSLKIDFAVGT-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000418936782 276102192 /nfs/dbraw/zinc/10/21/92/276102192.db2.gz KIIGOPWIZFRGQX-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000419773463 276115746 /nfs/dbraw/zinc/11/57/46/276115746.db2.gz GZBVOSRYKXQFFG-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)C1CC1 ZINC000419520978 276125257 /nfs/dbraw/zinc/12/52/57/276125257.db2.gz JHSYSXGDIGVHAS-NEPJUHHUSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262073054 276322158 /nfs/dbraw/zinc/32/21/58/276322158.db2.gz PLTMKMKGZWLDRM-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)C1CC1 ZINC000419521288 276345185 /nfs/dbraw/zinc/34/51/85/276345185.db2.gz JYGLLEOQUMQORS-RYUDHWBXSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000420066186 276779515 /nfs/dbraw/zinc/77/95/15/276779515.db2.gz QSKCUMCUJXPVHR-VXGBXAGGSA-N 2 0 282.388 -0.608 20 0 CBADRP C[NH+]1CCN(c2cc(C(=O)N[C@H]3CC[NH2+]C3)ccn2)CC1 ZINC000127663517 276929987 /nfs/dbraw/zinc/92/99/87/276929987.db2.gz MIIGAKIJJYWCAX-ZDUSSCGKSA-N 2 0 289.383 -0.075 20 0 CBADRP CC[C@H]([NH3+])C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000262672942 287926328 /nfs/dbraw/zinc/92/63/28/287926328.db2.gz PLIDHKGTOREKEZ-LBPRGKRZSA-N 2 0 256.394 -0.134 20 0 CBADRP CNC(=O)C[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000361175640 277001317 /nfs/dbraw/zinc/00/13/17/277001317.db2.gz QLBJJBCQLPLBCO-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000419555601 277266789 /nfs/dbraw/zinc/26/67/89/277266789.db2.gz JMKAJDLLTXILLQ-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419698140 277268887 /nfs/dbraw/zinc/26/88/87/277268887.db2.gz SBSODBUPJPYDRC-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000418389576 277282030 /nfs/dbraw/zinc/28/20/30/277282030.db2.gz OGSMJBWPWDRYKJ-RWMBFGLXSA-N 2 0 286.420 -0.062 20 0 CBADRP CC(C)(C[NH3+])C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000430894294 277297865 /nfs/dbraw/zinc/29/78/65/277297865.db2.gz MFEIMZQXOBBKLA-NSHDSACASA-N 2 0 284.404 -0.325 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000365105205 277301241 /nfs/dbraw/zinc/30/12/41/277301241.db2.gz NKEJSYXJZBKSRJ-FTYKPCCVSA-N 2 0 267.373 -0.038 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000262041247 277903975 /nfs/dbraw/zinc/90/39/75/277903975.db2.gz HQDHMZXNPGVPQU-WZRBSPASSA-N 2 0 284.404 -0.280 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000331428435 278017431 /nfs/dbraw/zinc/01/74/31/278017431.db2.gz VNKLEOXSVJOLCF-UTUOFQBUSA-N 2 0 294.399 -0.323 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)NCCN2CC[NH2+]CC2)[C@H]1C ZINC000333839613 278049856 /nfs/dbraw/zinc/04/98/56/278049856.db2.gz NZXOEAVLHDOXEH-RYUDHWBXSA-N 2 0 269.393 -0.717 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[NH3+])CCC[N@@H+]1C ZINC000419556021 278083717 /nfs/dbraw/zinc/08/37/17/278083717.db2.gz JZMJEMYCSROJMA-WOPDTQHZSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCC[N@@H+]1C ZINC000419541704 278101045 /nfs/dbraw/zinc/10/10/45/278101045.db2.gz DGBOCSHDVORLBW-GRYCIOLGSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@]1(C(N)=O)CC[N@H+](CCC[NH+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000361565847 278120958 /nfs/dbraw/zinc/12/09/58/278120958.db2.gz QQKXXULVEQLPSU-GASCZTMLSA-N 2 0 296.415 -0.229 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000419591546 278196400 /nfs/dbraw/zinc/19/64/00/278196400.db2.gz RHNVJQGHGIJQJS-GHMZBOCLSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2COC[C@@H]2O)CC1 ZINC000361293835 278289381 /nfs/dbraw/zinc/28/93/81/278289381.db2.gz AQLJPSWFSMFTMK-UBHSHLNASA-N 2 0 272.389 -0.229 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C[C@H](C)[NH2+]1 ZINC000516273790 278392451 /nfs/dbraw/zinc/39/24/51/278392451.db2.gz XLQMFGUGCVZAPQ-ZDEQEGDKSA-N 2 0 294.399 -0.642 20 0 CBADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000343616067 278994159 /nfs/dbraw/zinc/99/41/59/278994159.db2.gz KAOAVXFIXFXDME-QWHCGFSZSA-N 2 0 268.405 -0.134 20 0 CBADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1C(=O)NC ZINC000515666228 279038046 /nfs/dbraw/zinc/03/80/46/279038046.db2.gz QLWBRSUGXWKVGZ-UTUOFQBUSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)CCC[N@@H+]1C ZINC000347799528 279090184 /nfs/dbraw/zinc/09/01/84/279090184.db2.gz ZMQZNFKKIQWYMJ-AGIUHOORSA-N 2 0 296.415 -0.252 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CCC[N@@H+]1C ZINC000419566273 279119426 /nfs/dbraw/zinc/11/94/26/279119426.db2.gz ZSQVZLCUBRQFJX-VXGBXAGGSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000418948796 279126074 /nfs/dbraw/zinc/12/60/74/279126074.db2.gz QWLIRFFELHRROW-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000418922133 279126177 /nfs/dbraw/zinc/12/61/77/279126177.db2.gz DLFBLNQHBVAKRU-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418443227 279139466 /nfs/dbraw/zinc/13/94/66/279139466.db2.gz NOIWXQRVVBOEOD-VXGBXAGGSA-N 2 0 271.409 -0.437 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000419987085 279148829 /nfs/dbraw/zinc/14/88/29/279148829.db2.gz CUKPEAHKQAGORP-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000419867743 279166391 /nfs/dbraw/zinc/16/63/91/279166391.db2.gz QNBLSZQIKUJWKY-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000062972722 279168152 /nfs/dbraw/zinc/16/81/52/279168152.db2.gz IZUMVXVNGRNMJE-SDDRHHMPSA-N 2 0 255.362 -0.348 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C)C1CC1 ZINC000419526552 279189578 /nfs/dbraw/zinc/18/95/78/279189578.db2.gz UBXROEAKFXQKNI-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)C[NH3+])C(C)C ZINC000420019991 279191285 /nfs/dbraw/zinc/19/12/85/279191285.db2.gz DHGLLFITBONNRG-JTQLQIEISA-N 2 0 258.366 -0.704 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H](C)C[NH3+])C(C)C ZINC000419992915 279191422 /nfs/dbraw/zinc/19/14/22/279191422.db2.gz DHGLLFITBONNRG-SNVBAGLBSA-N 2 0 258.366 -0.704 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419587176 279268237 /nfs/dbraw/zinc/26/82/37/279268237.db2.gz NMKOPTHZAWGCKI-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419586302 279268340 /nfs/dbraw/zinc/26/83/40/279268340.db2.gz MTCCJHYHFBRRMK-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000370774481 288121528 /nfs/dbraw/zinc/12/15/28/288121528.db2.gz ROICQMRQQYKBCG-USWWRNFRSA-N 2 0 253.346 -0.426 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000419593076 279279195 /nfs/dbraw/zinc/27/91/95/279279195.db2.gz SNFPWNKUGGDGOI-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000333637600 279285449 /nfs/dbraw/zinc/28/54/49/279285449.db2.gz HPLATQGEEIRBCO-UHFFFAOYSA-N 2 0 283.420 -0.371 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357932603 288121994 /nfs/dbraw/zinc/12/19/94/288121994.db2.gz QKMZOZNJYHMRAW-YJQGPUDQSA-N 2 0 253.346 -0.692 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[NH2+]C)CC1=O ZINC000236838312 279330457 /nfs/dbraw/zinc/33/04/57/279330457.db2.gz FPKRHJNHQXGFPT-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419980818 279331745 /nfs/dbraw/zinc/33/17/45/279331745.db2.gz RJZFNJBXEATJNW-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP Cn1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(=O)n(C)c1=O ZINC000352540828 279336230 /nfs/dbraw/zinc/33/62/30/279336230.db2.gz QACBLJAIWRNAKS-HNNXBMFYSA-N 2 0 292.383 -0.341 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000372912765 288131544 /nfs/dbraw/zinc/13/15/44/288131544.db2.gz QKMZOZNJYHMRAW-SASUGWTJSA-N 2 0 253.346 -0.692 20 0 CBADRP C[C@@H]1C[NH+](CCOCC[N@H+]2C[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000351774909 288180259 /nfs/dbraw/zinc/18/02/59/288180259.db2.gz PHAYFZWVNWIYNU-XJFOESAGSA-N 2 0 272.389 -0.372 20 0 CBADRP C[C@H]1C[C@H](C[NH+]2CCN(S(C)(=O)=O)CC2)CC[NH2+]1 ZINC000235662250 279992995 /nfs/dbraw/zinc/99/29/95/279992995.db2.gz VXMAIRSURUHIAV-NWDGAFQWSA-N 2 0 275.418 -0.048 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419527452 280097820 /nfs/dbraw/zinc/09/78/20/280097820.db2.gz VBVCQSDMHUHJKW-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062972980 280103927 /nfs/dbraw/zinc/10/39/27/280103927.db2.gz MSLRVNJDZOLILF-RYUDHWBXSA-N 2 0 253.346 -0.329 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062972981 280144184 /nfs/dbraw/zinc/14/41/84/280144184.db2.gz MSLRVNJDZOLILF-VXGBXAGGSA-N 2 0 253.346 -0.329 20 0 CBADRP CC(C)[C@H](CNC(=O)C(=O)NCC[NH3+])[NH+]1CCC(C)CC1 ZINC000419372019 280239866 /nfs/dbraw/zinc/23/98/66/280239866.db2.gz MAWOIKALGPPPJG-ZDUSSCGKSA-N 2 0 298.431 -0.066 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422534785 280273874 /nfs/dbraw/zinc/27/38/74/280273874.db2.gz BNVBCKNYHAQBSH-BYNQJWBRSA-N 2 0 298.431 -0.082 20 0 CBADRP CC[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[N@@H+]1C[C@H](C)O ZINC000262058139 288266375 /nfs/dbraw/zinc/26/63/75/288266375.db2.gz RLQCQFFGJIJNLH-FQUUOJAGSA-N 2 0 299.415 -0.204 20 0 CBADRP CC1(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C[NH2+]C1 ZINC000422757621 280853412 /nfs/dbraw/zinc/85/34/12/280853412.db2.gz JWCKIWKRSQVNNO-LBPRGKRZSA-N 2 0 294.399 -0.734 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCN1CC[NH2+]CC1 ZINC000333870188 288308884 /nfs/dbraw/zinc/30/88/84/288308884.db2.gz UNIZXWZSXYSMCN-KGLIPLIRSA-N 2 0 295.431 -0.230 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000331958990 288315828 /nfs/dbraw/zinc/31/58/28/288315828.db2.gz SAMCMVJDWHSBIW-CHWSQXEVSA-N 2 0 292.383 -0.721 20 0 CBADRP CC[C@]1(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CCC[NH2+]1 ZINC000343770668 281301692 /nfs/dbraw/zinc/30/16/92/281301692.db2.gz TUQLODZGYPCLEH-IUODEOHRSA-N 2 0 296.415 -0.025 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424165548 288325101 /nfs/dbraw/zinc/32/51/01/288325101.db2.gz YRNFUTJWUPBQFV-IJLUTSLNSA-N 2 0 292.387 -0.070 20 0 CBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NCCC[NH3+])CC1 ZINC000418315902 281820688 /nfs/dbraw/zinc/82/06/88/281820688.db2.gz WBIUXXOJNYKZQQ-LBPRGKRZSA-N 2 0 272.393 -0.273 20 0 CBADRP C[NH+](C)C(C)(C)CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354714815 289035188 /nfs/dbraw/zinc/03/51/88/289035188.db2.gz PBJGERRHNVKRAS-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000339631553 289049520 /nfs/dbraw/zinc/04/95/20/289049520.db2.gz LLWDSJHPJRHPJW-DGCLKSJQSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000430776886 289067451 /nfs/dbraw/zinc/06/74/51/289067451.db2.gz LGSGTBKVFBROSR-CQSZACIVSA-N 2 0 298.431 -0.493 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@@H](C[NH3+])C2)CC1=O ZINC000428532394 289158401 /nfs/dbraw/zinc/15/84/01/289158401.db2.gz LWDYNDYCKYMMHJ-QWHCGFSZSA-N 2 0 296.415 -0.406 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NC(C)(C)C[NH3+])CC1=O ZINC000262520744 289158776 /nfs/dbraw/zinc/15/87/76/289158776.db2.gz WGUNIDWFZMMVRE-SNVBAGLBSA-N 2 0 270.377 -0.750 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000420080968 289290567 /nfs/dbraw/zinc/29/05/67/289290567.db2.gz SKJGCHSBQBPUOJ-SNVBAGLBSA-N 2 0 270.377 -0.608 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351523155 289298281 /nfs/dbraw/zinc/29/82/81/289298281.db2.gz NKOPNZAOZBTBQB-UPJWGTAASA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)Cc1ccccc1 ZINC000357938306 289360004 /nfs/dbraw/zinc/36/00/04/289360004.db2.gz XVNSRKWZIMMUCS-KKUMJFAQSA-N 2 0 291.395 -0.002 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000516316014 289368523 /nfs/dbraw/zinc/36/85/23/289368523.db2.gz YHSOBOAUIXWUOA-QWRGUYRKSA-N 2 0 268.361 -0.983 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000419137186 289375158 /nfs/dbraw/zinc/37/51/58/289375158.db2.gz OPZRDEVHKNGDFN-NEPJUHHUSA-N 2 0 296.415 -0.027 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)CNC(=O)C[NH3+])C1 ZINC000262387222 289377608 /nfs/dbraw/zinc/37/76/08/289377608.db2.gz LOOMNPGBDXHXBV-UWVGGRQHSA-N 2 0 256.350 -0.950 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000449697393 290061866 /nfs/dbraw/zinc/06/18/66/290061866.db2.gz LYYHTUIWVJLFKM-GZBFAFLISA-N 2 0 280.416 -0.214 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)[C@H]2C1 ZINC000423569799 290148135 /nfs/dbraw/zinc/14/81/35/290148135.db2.gz TVDPMYKGDJORLF-AGIUHOORSA-N 2 0 294.399 -0.511 20 0 CBADRP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431024006 290489123 /nfs/dbraw/zinc/48/91/23/290489123.db2.gz JVNTWGZYSXWGLQ-SNVBAGLBSA-N 2 0 268.361 -0.094 20 0 CBADRP COC[C@@]1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000514861539 292958953 /nfs/dbraw/zinc/95/89/53/292958953.db2.gz XIPWOFHGACBIEL-ZIAGYGMSSA-N 2 0 267.373 -0.176 20 0 CBADRP COC[C@]1(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC[NH2+]C1 ZINC000417846446 293269512 /nfs/dbraw/zinc/26/95/12/293269512.db2.gz UBBOMNFJDDOTIQ-LOWVWBTDSA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000580551642 335278764 /nfs/dbraw/zinc/27/87/64/335278764.db2.gz XFEWVTJWNGEHFR-QWRGUYRKSA-N 2 0 272.393 -0.362 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)NC[C@@H]3CCC[NH2+]3)C[C@H]2[NH3+])cn1 ZINC000333606400 294281140 /nfs/dbraw/zinc/28/11/40/294281140.db2.gz REVWTIFQQYWPIW-RWMBFGLXSA-N 2 0 292.387 -0.392 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424150803 295225236 /nfs/dbraw/zinc/22/52/36/295225236.db2.gz DZVGIVZHPXNLPW-AXFHLTTASA-N 2 0 268.361 -0.820 20 0 CBADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000331367807 295244323 /nfs/dbraw/zinc/24/43/23/295244323.db2.gz BQHWIDZUYWIBFL-AAEUAGOBSA-N 2 0 294.399 -0.321 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000340117769 295253351 /nfs/dbraw/zinc/25/33/51/295253351.db2.gz FLDTWYINYGUPBD-AVGNSLFASA-N 2 0 296.415 -0.183 20 0 CBADRP NS(=O)(=O)[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261648189 295285885 /nfs/dbraw/zinc/28/58/85/295285885.db2.gz ATUZSNMSACHPDO-LLVKDONJSA-N 2 0 261.391 -0.261 20 0 CBADRP [NH3+][C@@H]1CCC[C@]12CCN(C(=O)[C@@H]1C[NH2+]CCO1)C2 ZINC000373627367 295317290 /nfs/dbraw/zinc/31/72/90/295317290.db2.gz VKTIICYFAOUGOL-DMDPSCGWSA-N 2 0 253.346 -0.295 20 0 CBADRP O=C(NCCC[NH+]1CCCCC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419000855 295641304 /nfs/dbraw/zinc/64/13/04/295641304.db2.gz ORZNDPRKUBETNL-ZDUSSCGKSA-N 2 0 296.415 -0.153 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333663659 297545034 /nfs/dbraw/zinc/54/50/34/297545034.db2.gz LYFYWAMJMXJRMR-MELADBBJSA-N 2 0 295.431 -0.184 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000419018910 298538248 /nfs/dbraw/zinc/53/82/48/298538248.db2.gz CVUSIUXPAPZSSG-FDYHWXHSSA-N 2 0 298.431 -0.068 20 0 CBADRP C[C@H]1CC[NH2+][C@H](C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000417817642 300004698 /nfs/dbraw/zinc/00/46/98/300004698.db2.gz VFATUMFIHASLET-STQMWFEESA-N 2 0 268.405 -0.214 20 0 CBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000343638922 300674299 /nfs/dbraw/zinc/67/42/99/300674299.db2.gz KJDAUNWGYRBBIQ-RYUDHWBXSA-N 2 0 277.372 -0.090 20 0 CBADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000417841852 300819378 /nfs/dbraw/zinc/81/93/78/300819378.db2.gz PGHOVNXSRSHAFS-WZRBSPASSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCC1 ZINC000515814665 303357142 /nfs/dbraw/zinc/35/71/42/303357142.db2.gz PWUBFDSIKCVXBL-GFCCVEGCSA-N 2 0 294.399 -0.319 20 0 CBADRP [NH3+]C1(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000351526942 303357581 /nfs/dbraw/zinc/35/75/81/303357581.db2.gz YAZGSKOZCAPDRB-NSHDSACASA-N 2 0 282.388 -0.368 20 0 CBADRP [NH3+]CCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000419836516 303378761 /nfs/dbraw/zinc/37/87/61/303378761.db2.gz XXHRFDPRDAIZAG-GFCCVEGCSA-N 2 0 282.388 -0.462 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000357068023 303383571 /nfs/dbraw/zinc/38/35/71/303383571.db2.gz FNWMOIKTPYYBDB-ZDUSSCGKSA-N 2 0 257.378 -0.384 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354664980 303401084 /nfs/dbraw/zinc/40/10/84/303401084.db2.gz DNEPAONXPWJJAQ-XQQFMLRXSA-N 2 0 296.415 -0.122 20 0 CBADRP O=C(NC1C[NH2+]C1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335397375 303747481 /nfs/dbraw/zinc/74/74/81/303747481.db2.gz VQJUPWYFSKNDBG-GHMZBOCLSA-N 2 0 252.362 -0.011 20 0 CBADRP CC[NH+]1CCC(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000570839069 327625218 /nfs/dbraw/zinc/62/52/18/327625218.db2.gz KHSWLNNQUZJWQN-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000582133842 327807990 /nfs/dbraw/zinc/80/79/90/327807990.db2.gz OQVASCBYHYFZJB-ZDUSSCGKSA-N 2 0 294.399 -0.545 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000567817160 327901833 /nfs/dbraw/zinc/90/18/33/327901833.db2.gz UUTWASZUDMCZLK-QWRGUYRKSA-N 2 0 253.346 -0.567 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000563093047 327922259 /nfs/dbraw/zinc/92/22/59/327922259.db2.gz XNVJFYQGOUYLIE-AAEUAGOBSA-N 2 0 269.389 -0.053 20 0 CBADRP [NH3+]CCC1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000563269708 328005542 /nfs/dbraw/zinc/00/55/42/328005542.db2.gz OSWWEWNARKITIT-LBPRGKRZSA-N 2 0 270.377 -0.255 20 0 CBADRP [NH3+]CCC1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000563269707 328005565 /nfs/dbraw/zinc/00/55/65/328005565.db2.gz OSWWEWNARKITIT-GFCCVEGCSA-N 2 0 270.377 -0.255 20 0 CBADRP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)NCC[NH+](C)C ZINC000563403866 328062888 /nfs/dbraw/zinc/06/28/88/328062888.db2.gz PMJSCKKTOXWHES-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000563457546 328067722 /nfs/dbraw/zinc/06/77/22/328067722.db2.gz LFILEQYNFVCRDR-RWMBFGLXSA-N 2 0 296.415 -0.347 20 0 CBADRP COC[C@]1(C(=O)N2CCC(C[NH3+])CC2)CC[NH2+]C1 ZINC000567383754 328068379 /nfs/dbraw/zinc/06/83/79/328068379.db2.gz YLSIPUZXLOHMSR-ZDUSSCGKSA-N 2 0 255.362 -0.190 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000563588257 328075202 /nfs/dbraw/zinc/07/52/02/328075202.db2.gz UTTMVIAMTFKFFL-CABCVRRESA-N 2 0 290.411 -0.034 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000563596639 328076168 /nfs/dbraw/zinc/07/61/68/328076168.db2.gz UKQUASDSTZUQON-UONOGXRCSA-N 2 0 297.447 -0.079 20 0 CBADRP [NH3+]C[C@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)C1CCCC1 ZINC000563610681 328076649 /nfs/dbraw/zinc/07/66/49/328076649.db2.gz BTLUXLIOLJKAKM-LBPRGKRZSA-N 2 0 297.403 -0.765 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000563620809 328077625 /nfs/dbraw/zinc/07/76/25/328077625.db2.gz NEHRTVDCWJNEKH-DGCLKSJQSA-N 2 0 253.346 -0.423 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000563620808 328077668 /nfs/dbraw/zinc/07/76/68/328077668.db2.gz NEHRTVDCWJNEKH-AAEUAGOBSA-N 2 0 253.346 -0.423 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000563660769 328082493 /nfs/dbraw/zinc/08/24/93/328082493.db2.gz VHCCMGFFDSEDBO-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H](C)CN1C ZINC000571209035 328093294 /nfs/dbraw/zinc/09/32/94/328093294.db2.gz HTVSZISEYMXIRP-OLZOCXBDSA-N 2 0 268.405 -0.167 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000572838683 328095594 /nfs/dbraw/zinc/09/55/94/328095594.db2.gz HOYJUQPYSFIGEW-UKRRQHHQSA-N 2 0 298.431 -0.635 20 0 CBADRP [NH3+]C1(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)CCC1 ZINC000571282796 328097566 /nfs/dbraw/zinc/09/75/66/328097566.db2.gz XYVIHRQZUSLSRZ-UHFFFAOYSA-N 2 0 265.321 -0.966 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000571288022 328098310 /nfs/dbraw/zinc/09/83/10/328098310.db2.gz YQNWBHUYRQVJBM-QJPTWQEYSA-N 2 0 292.387 -0.148 20 0 CBADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000571325269 328106044 /nfs/dbraw/zinc/10/60/44/328106044.db2.gz PCRCDFVKUKXRDV-KBPBESRZSA-N 2 0 299.415 -0.116 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@]2(COC)CC[NH2+]C2)CC1 ZINC000571320710 328105120 /nfs/dbraw/zinc/10/51/20/328105120.db2.gz NXFIPDMNDSEIBG-OAHLLOKOSA-N 2 0 299.415 -0.161 20 0 CBADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000571325271 328106005 /nfs/dbraw/zinc/10/60/05/328106005.db2.gz PCRCDFVKUKXRDV-UONOGXRCSA-N 2 0 299.415 -0.116 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000571396131 328118498 /nfs/dbraw/zinc/11/84/98/328118498.db2.gz GLOYMDPYBSDLRU-SDDRHHMPSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H](CNC(=O)C[C@H]1COCC[NH2+]1)[NH+]1CCCC1 ZINC000161074767 328125481 /nfs/dbraw/zinc/12/54/81/328125481.db2.gz BHNCRHMXEBFDKB-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](C)[NH+]2CCCC2)C1 ZINC000161068093 328124125 /nfs/dbraw/zinc/12/41/25/328124125.db2.gz SBCLZFHJXJIPJZ-SDDRHHMPSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H](CNC(=O)C[C@H]1COCC[NH2+]1)[NH+]1CCCC1 ZINC000161074647 328125408 /nfs/dbraw/zinc/12/54/08/328125408.db2.gz BHNCRHMXEBFDKB-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000571507680 328129156 /nfs/dbraw/zinc/12/91/56/328129156.db2.gz UUNAOPZDXXVFGY-OKILXGFUSA-N 2 0 295.431 -0.182 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CCO1 ZINC000571523317 328131540 /nfs/dbraw/zinc/13/15/40/328131540.db2.gz VBDXWVURXUUGBN-ZIAGYGMSSA-N 2 0 297.399 -0.184 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000582545090 329104871 /nfs/dbraw/zinc/10/48/71/329104871.db2.gz LSTJBQRKIKBRHB-ZDUSSCGKSA-N 2 0 268.405 -0.133 20 0 CBADRP CC[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)OC ZINC000582960370 329289854 /nfs/dbraw/zinc/28/98/54/329289854.db2.gz OGRNQGXPZKUTLU-QWHCGFSZSA-N 2 0 259.394 -0.391 20 0 CBADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000583490204 328304132 /nfs/dbraw/zinc/30/41/32/328304132.db2.gz DAAJNVYZNPMYNZ-PHIMTYICSA-N 2 0 282.388 -0.547 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)nn1 ZINC000563804941 328519710 /nfs/dbraw/zinc/51/97/10/328519710.db2.gz COMCOTNCYAUMBQ-GHMZBOCLSA-N 2 0 280.376 -0.126 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000563808038 328520525 /nfs/dbraw/zinc/52/05/25/328520525.db2.gz USQOAZOHHUZBQW-LBPRGKRZSA-N 2 0 294.399 -0.734 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000583993684 326834565 /nfs/dbraw/zinc/83/45/65/326834565.db2.gz RULQNPQYCDIGGI-WDEREUQCSA-N 2 0 292.387 -0.880 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000568262900 326986356 /nfs/dbraw/zinc/98/63/56/326986356.db2.gz BIYZSDTZQMGFOA-WFASDCNBSA-N 2 0 294.399 -0.543 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000568262898 326986391 /nfs/dbraw/zinc/98/63/91/326986391.db2.gz BIYZSDTZQMGFOA-IUODEOHRSA-N 2 0 294.399 -0.543 20 0 CBADRP C[C@H](C1CC1)N(C)S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000557347568 327002444 /nfs/dbraw/zinc/00/24/44/327002444.db2.gz RNEXTRBSSNDIRZ-LLVKDONJSA-N 2 0 292.449 -0.039 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N(C)CCC[NH+](C)C)C1CC1 ZINC000557382064 327003522 /nfs/dbraw/zinc/00/35/22/327003522.db2.gz RWNDIWFOPDLHLE-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000576104319 327017008 /nfs/dbraw/zinc/01/70/08/327017008.db2.gz BEDAPRUEPPRPRU-ZIAGYGMSSA-N 2 0 298.431 -0.411 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000568877021 327021825 /nfs/dbraw/zinc/02/18/25/327021825.db2.gz MOLHPCAJKCFOTM-RYUDHWBXSA-N 2 0 283.372 -0.036 20 0 CBADRP [NH3+]CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000584113638 327040706 /nfs/dbraw/zinc/04/07/06/327040706.db2.gz ZUWNTYOBFFXOQO-STQMWFEESA-N 3 0 268.405 -0.085 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000584113801 327040802 /nfs/dbraw/zinc/04/08/02/327040802.db2.gz JBUOJTRBGIWCLX-RVMXOQNASA-N 2 0 296.415 -0.219 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](C)C[C@H](C(=O)OC)C1 ZINC000584181225 327060885 /nfs/dbraw/zinc/06/08/85/327060885.db2.gz RYPLNNOLDXLIME-QWHCGFSZSA-N 2 0 287.404 -0.664 20 0 CBADRP C[NH+](C)C[C@@H]1CCCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000569240040 327070147 /nfs/dbraw/zinc/07/01/47/327070147.db2.gz GIHKBTINJIYRLC-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000569245959 327074143 /nfs/dbraw/zinc/07/41/43/327074143.db2.gz ZKBSXEQWLYIVFF-NSHDSACASA-N 2 0 265.361 -0.185 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)CC[N@@H+]1C ZINC000558207334 327078615 /nfs/dbraw/zinc/07/86/15/327078615.db2.gz BIUCICWZPKVIHH-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000564450568 327099408 /nfs/dbraw/zinc/09/94/08/327099408.db2.gz KELXESQTEMAFIQ-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000569344475 327102566 /nfs/dbraw/zinc/10/25/66/327102566.db2.gz NKEJSYXJZBKSRJ-SQNXGDPESA-N 2 0 267.373 -0.038 20 0 CBADRP COC[C@@]1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000566066840 327124167 /nfs/dbraw/zinc/12/41/67/327124167.db2.gz PARRFJRLKVVDNC-DZGCQCFKSA-N 2 0 296.415 -0.881 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000566102016 327134972 /nfs/dbraw/zinc/13/49/72/327134972.db2.gz FOWDXQKGTQIVBE-VHSXEESVSA-N 2 0 296.337 -0.206 20 0 CBADRP C[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)Cn1cccn1 ZINC000566105768 327136792 /nfs/dbraw/zinc/13/67/92/327136792.db2.gz WGDMXPCYDQMANV-HUUCEWRRSA-N 2 0 295.431 -0.283 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000569357400 327162319 /nfs/dbraw/zinc/16/23/19/327162319.db2.gz JEXUURJVWHZJQH-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000569456446 327179769 /nfs/dbraw/zinc/17/97/69/327179769.db2.gz ZJAXLECODBMGNK-AAEUAGOBSA-N 2 0 266.389 -0.367 20 0 CBADRP O=C(CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000569455940 327180267 /nfs/dbraw/zinc/18/02/67/327180267.db2.gz FDJHOVOXPQTLCG-AWEZNQCLSA-N 2 0 266.389 -0.506 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000569482703 327184174 /nfs/dbraw/zinc/18/41/74/327184174.db2.gz QXFBLXREOROIFS-LLVKDONJSA-N 2 0 274.434 -0.522 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000569481685 327184328 /nfs/dbraw/zinc/18/43/28/327184328.db2.gz OEWGXNJTYATQPQ-CYBMUJFWSA-N 2 0 270.421 -0.062 20 0 CBADRP [NH3+]Cc1ccc(CNC(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000564937699 327196043 /nfs/dbraw/zinc/19/60/43/327196043.db2.gz MPAMJTVPEPXDOH-CYBMUJFWSA-N 2 0 278.356 -0.067 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000569558578 327197837 /nfs/dbraw/zinc/19/78/37/327197837.db2.gz XBXQCPVOUHQNTQ-AWEZNQCLSA-N 2 0 297.447 -0.079 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000566236543 327253939 /nfs/dbraw/zinc/25/39/39/327253939.db2.gz FTTDLRLHWXBDEB-MRBYEJRBSA-N 2 0 296.415 -0.173 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000566236541 327254001 /nfs/dbraw/zinc/25/40/01/327254001.db2.gz FTTDLRLHWXBDEB-BLFANLJRSA-N 2 0 296.415 -0.173 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)COC3C[NH2+]C3)C[C@@H]21 ZINC000564950497 327256247 /nfs/dbraw/zinc/25/62/47/327256247.db2.gz FIEQQWAVOFIRPB-ZMLRMANQSA-N 2 0 253.346 -0.439 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000564955848 327261583 /nfs/dbraw/zinc/26/15/83/327261583.db2.gz AOURAVJGXDEQRY-YRGRVCCFSA-N 2 0 267.373 -0.129 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000564955839 327261684 /nfs/dbraw/zinc/26/16/84/327261684.db2.gz AOURAVJGXDEQRY-MBNYWOFBSA-N 2 0 267.373 -0.129 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC(CC[NH3+])CC1 ZINC000573930385 327273560 /nfs/dbraw/zinc/27/35/60/327273560.db2.gz OPSFISORDKFBDL-JTQLQIEISA-N 2 0 257.334 -0.536 20 0 CBADRP C[C@@H]1CN(C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@H](C)[NH2+]1 ZINC000564969597 327290219 /nfs/dbraw/zinc/29/02/19/327290219.db2.gz VEHYTKCJDCSYDA-FRRDWIJNSA-N 2 0 268.405 -0.134 20 0 CBADRP CCC[C@@H](C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)[NH+](C)C ZINC000560565166 327325118 /nfs/dbraw/zinc/32/51/18/327325118.db2.gz NXDDMHCCIKOPDE-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000560635206 327332942 /nfs/dbraw/zinc/33/29/42/327332942.db2.gz CLOOCTQDTIOJQP-CYDGBPFRSA-N 2 0 269.389 -0.150 20 0 CBADRP C[C@@H]1CCN(C(=O)C[C@H]2COCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000574637055 327358543 /nfs/dbraw/zinc/35/85/43/327358543.db2.gz QTMIUPZGXMEAPT-WOPDTQHZSA-N 2 0 255.362 -0.192 20 0 CBADRP C[C@]1(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)CC[NH2+]C1 ZINC000574636203 327358965 /nfs/dbraw/zinc/35/89/65/327358965.db2.gz LMHOHHWBOJDPEA-LBPRGKRZSA-N 2 0 279.348 -0.848 20 0 CBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000574757593 327372960 /nfs/dbraw/zinc/37/29/60/327372960.db2.gz GLTJMQNGNVOOID-NWDGAFQWSA-N 2 0 267.373 -0.299 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000561239563 327378256 /nfs/dbraw/zinc/37/82/56/327378256.db2.gz XCNFYNKGJJNNGP-UHFFFAOYSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000566470923 327385569 /nfs/dbraw/zinc/38/55/69/327385569.db2.gz QLLIEVFQAHBAOQ-RYUDHWBXSA-N 2 0 255.362 -0.225 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000565040360 327409102 /nfs/dbraw/zinc/40/91/02/327409102.db2.gz RFUZRXMHWDNJIN-UPJWGTAASA-N 2 0 268.405 -0.134 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566984604 327514967 /nfs/dbraw/zinc/51/49/67/327514967.db2.gz MYIJZEGZOZHICR-HBNTYKKESA-N 2 0 280.372 -0.855 20 0 CBADRP C[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC[NH2+]1 ZINC000562819810 327517265 /nfs/dbraw/zinc/51/72/65/327517265.db2.gz PFDJJYYTIURDHW-BDAKNGLRSA-N 2 0 262.304 -0.013 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000572959269 327533515 /nfs/dbraw/zinc/53/35/15/327533515.db2.gz BBHAANSZSNOYES-VHSXEESVSA-N 2 0 277.315 -0.132 20 0 CBADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000569695610 327536714 /nfs/dbraw/zinc/53/67/14/327536714.db2.gz DVUCWRFPUUBXDC-XQQFMLRXSA-N 2 0 281.400 -0.054 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000569912954 327555525 /nfs/dbraw/zinc/55/55/25/327555525.db2.gz HWVRRXLCJCXACZ-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC[C@@H]1CC[NH2+]C1 ZINC000569925813 327556252 /nfs/dbraw/zinc/55/62/52/327556252.db2.gz XXTQTMQMIKZSAR-RYUDHWBXSA-N 2 0 282.388 -0.640 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000569969924 327558881 /nfs/dbraw/zinc/55/88/81/327558881.db2.gz NWTMXWIBFAPSIC-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[NH2+]CCN2C)CC[NH2+]1 ZINC000569971166 327558928 /nfs/dbraw/zinc/55/89/28/327558928.db2.gz JVSVOPZLQIZLRB-SRVKXCTJSA-N 2 0 254.378 -0.606 20 0 CBADRP COC[C@@]1(CNC(=O)C[C@@H](C[NH3+])OC)CCC[NH2+]1 ZINC000570091181 327568271 /nfs/dbraw/zinc/56/82/71/327568271.db2.gz CPKPAUOSMDZJSF-JQWIXIFHSA-N 2 0 259.350 -0.765 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000570398196 327588738 /nfs/dbraw/zinc/58/87/38/327588738.db2.gz QYTBEDXCZVTPAG-LOWVWBTDSA-N 2 0 282.388 -0.704 20 0 CBADRP [NH3+]C[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000570449510 327592388 /nfs/dbraw/zinc/59/23/88/327592388.db2.gz JANRQGYFYXXHAX-RYUDHWBXSA-N 2 0 282.388 -0.512 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000570517697 327597925 /nfs/dbraw/zinc/59/79/25/327597925.db2.gz NTQHRWRHEDFSAH-AXFHLTTASA-N 2 0 280.376 -0.114 20 0 CBADRP C[NH2+]CCCC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000570680326 327610366 /nfs/dbraw/zinc/61/03/66/327610366.db2.gz RNTLBXFDMLCNAP-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000584347718 328628280 /nfs/dbraw/zinc/62/82/80/328628280.db2.gz GDOBYWZFELCGER-ZDUSSCGKSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CCN2C1=O ZINC000582252999 328851030 /nfs/dbraw/zinc/85/10/30/328851030.db2.gz YQXKOVDHARHQKQ-NWDGAFQWSA-N 2 0 292.383 -0.615 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NCC[N@H+]1CC=CCC1 ZINC000392852572 329054080 /nfs/dbraw/zinc/05/40/80/329054080.db2.gz KAACUUZENLSADV-GFCCVEGCSA-N 2 0 253.346 -0.257 20 0 CBADRP C[N@H+](C[C@H](O)CNCC(=O)NCC1CC1)C1CC1 ZINC000393071823 329066732 /nfs/dbraw/zinc/06/67/32/329066732.db2.gz MSKSPOAKPNWFCB-GFCCVEGCSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@@H](C[NH2+]CCC(=O)NC(N)=O)C[NH+]1CCCC1 ZINC000582541243 329108876 /nfs/dbraw/zinc/10/88/76/329108876.db2.gz DYACIUUDRPTANK-JTQLQIEISA-N 2 0 256.350 -0.107 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000394849382 329153339 /nfs/dbraw/zinc/15/33/39/329153339.db2.gz BNRKDPRVZWEITH-JQWIXIFHSA-N 2 0 254.378 -0.511 20 0 CBADRP C[NH2+]CCCC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000582784910 329194119 /nfs/dbraw/zinc/19/41/19/329194119.db2.gz WRYUTGIZYLXHFX-UHFFFAOYSA-N 2 0 267.337 -0.848 20 0 CBADRP CN(CCC[NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC000582856388 329281230 /nfs/dbraw/zinc/28/12/30/329281230.db2.gz KIFDXRNRFVKFPE-UHFFFAOYSA-N 2 0 258.366 -0.301 20 0 CBADRP O=C(CC[NH2+]C1CC1)NCCCN1CC[NH2+]CC1 ZINC000583035247 329306061 /nfs/dbraw/zinc/30/60/61/329306061.db2.gz RZILJQRZISIHCZ-UHFFFAOYSA-N 2 0 254.378 -0.460 20 0 CBADRP CC(C)C[C@H]([NH3+])CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000583764174 329476177 /nfs/dbraw/zinc/47/61/77/329476177.db2.gz ZHGXCUCTXTZNCM-SDDRHHMPSA-N 2 0 254.378 -0.396 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000571789811 329920944 /nfs/dbraw/zinc/92/09/44/329920944.db2.gz PVQBDQVMIUNLEQ-NXEZZACHSA-N 2 0 266.349 -0.645 20 0 CBADRP COCC[NH2+]CC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000571797176 329921456 /nfs/dbraw/zinc/92/14/56/329921456.db2.gz KXGJIRPBIHBSAO-UHFFFAOYSA-N 2 0 293.371 -0.334 20 0 CBADRP O=C(NC1CC[NH2+]CC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000571918577 329931384 /nfs/dbraw/zinc/93/13/84/329931384.db2.gz STDKKXYBCKLOMR-SECBINFHSA-N 2 0 263.345 -0.032 20 0 CBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000571998295 329935958 /nfs/dbraw/zinc/93/59/58/329935958.db2.gz RAKGXWNKEBEWCF-NWDGAFQWSA-N 2 0 255.362 -0.443 20 0 CBADRP CC(C)[C@@H](O)C1(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000572040057 329939554 /nfs/dbraw/zinc/93/95/54/329939554.db2.gz YXARBYXFRKJPHT-LSDHHAIUSA-N 2 0 299.459 -0.019 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000572119420 329946134 /nfs/dbraw/zinc/94/61/34/329946134.db2.gz KNFPQBCEMAOWTF-TUAOUCFPSA-N 2 0 282.388 -0.702 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000572156632 329950380 /nfs/dbraw/zinc/95/03/80/329950380.db2.gz UWVOVDJYZULFBR-LBPRGKRZSA-N 2 0 296.415 -0.181 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000572425004 330067795 /nfs/dbraw/zinc/06/77/95/330067795.db2.gz ZQERJERBIBHZKH-UHFFFAOYSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000580432366 330131879 /nfs/dbraw/zinc/13/18/79/330131879.db2.gz CHXSHPIWUHGVFQ-WPRPVWTQSA-N 2 0 292.330 -0.801 20 0 CBADRP CC(C)[NH2+]CCC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000580450695 330138041 /nfs/dbraw/zinc/13/80/41/330138041.db2.gz OJNPWANTPRDSNX-MNOVXSKESA-N 2 0 268.361 -0.855 20 0 CBADRP CC(C)[NH2+]CCC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000580450696 330138188 /nfs/dbraw/zinc/13/81/88/330138188.db2.gz OJNPWANTPRDSNX-QWRGUYRKSA-N 2 0 268.361 -0.855 20 0 CBADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)CC(C)C ZINC000580533491 335107795 /nfs/dbraw/zinc/10/77/95/335107795.db2.gz QQDXQJRAZVIPNA-ZDUSSCGKSA-N 2 0 298.431 -0.053 20 0 CBADRP [NH3+]C1(C(=O)NCCC[NH+]2CCC(O)CC2)CCC1 ZINC000566192906 334634953 /nfs/dbraw/zinc/63/49/53/334634953.db2.gz FGVNODGJDASNNY-UHFFFAOYSA-N 2 0 255.362 -0.169 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000575814426 335118391 /nfs/dbraw/zinc/11/83/91/335118391.db2.gz MQBCTXPILMPBHS-YPMHNXCESA-N 2 0 255.362 -0.489 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000575862061 335124777 /nfs/dbraw/zinc/12/47/77/335124777.db2.gz SDHSWXCVMICDIX-KBPBESRZSA-N 2 0 271.405 -0.247 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000575869638 335126518 /nfs/dbraw/zinc/12/65/18/335126518.db2.gz FGTRKUGRIVIEJY-YPMHNXCESA-N 2 0 284.404 -0.266 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000575986451 335138270 /nfs/dbraw/zinc/13/82/70/335138270.db2.gz FMLAKFQAGGAITH-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP [NH3+]C1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCC1 ZINC000576225058 335173394 /nfs/dbraw/zinc/17/33/94/335173394.db2.gz RZBQPOMCFCQUQI-LLVKDONJSA-N 2 0 252.362 -0.626 20 0 CBADRP [NH3+]C1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCC1 ZINC000576225059 335173600 /nfs/dbraw/zinc/17/36/00/335173600.db2.gz RZBQPOMCFCQUQI-NSHDSACASA-N 2 0 252.362 -0.626 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)[N@H+](C)C1CC1 ZINC000553370513 334381193 /nfs/dbraw/zinc/38/11/93/334381193.db2.gz YLZAISYYLMBHQD-LBPRGKRZSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@H](C)[C@H](O)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000564656969 334515456 /nfs/dbraw/zinc/51/54/56/334515456.db2.gz OPGLJBMCBHERPW-MELADBBJSA-N 2 0 273.421 -0.409 20 0 CBADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@H]1CC[NH2+]1 ZINC000564837550 334523283 /nfs/dbraw/zinc/52/32/83/334523283.db2.gz VAIIQHRHCMYTKW-LLVKDONJSA-N 2 0 261.329 -0.208 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000564905435 334527313 /nfs/dbraw/zinc/52/73/13/334527313.db2.gz LXXKITFFLPSVHE-NEPJUHHUSA-N 2 0 265.361 -0.157 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1ccc(C[NH3+])cc1 ZINC000565000052 334533816 /nfs/dbraw/zinc/53/38/16/334533816.db2.gz IOZPEJWHQVCAIM-AWEZNQCLSA-N 2 0 292.383 -0.139 20 0 CBADRP CCOC[C@@H](O)C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000566117587 334624597 /nfs/dbraw/zinc/62/45/97/334624597.db2.gz PFIAIQIZPGGZKC-KGLIPLIRSA-N 2 0 273.421 -0.143 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000566117848 334624825 /nfs/dbraw/zinc/62/48/25/334624825.db2.gz QPTYAEJJKAYXSN-UONOGXRCSA-N 2 0 273.421 -0.145 20 0 CBADRP CCCN(C(=O)[C@H]([NH3+])CCC(=O)OC)[C@H]1CC[NH2+]C1 ZINC000566237184 334637619 /nfs/dbraw/zinc/63/76/19/334637619.db2.gz MJTDNSNZQCCVSQ-WDEREUQCSA-N 2 0 271.361 -0.133 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000566236621 334637776 /nfs/dbraw/zinc/63/77/76/334637776.db2.gz HQHGRAZXGBPEEN-QWRGUYRKSA-N 2 0 272.393 -0.314 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000566511843 334653810 /nfs/dbraw/zinc/65/38/10/334653810.db2.gz CBLDVXSKMRGESC-LBPRGKRZSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@](C[NH3+])(NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C1CC1 ZINC000566859357 334667320 /nfs/dbraw/zinc/66/73/20/334667320.db2.gz VHFGWSVADZQOKA-FZMZJTMJSA-N 2 0 292.387 -0.113 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)C)C[C@@]1(C)C[NH3+] ZINC000567226825 334695519 /nfs/dbraw/zinc/69/55/19/334695519.db2.gz IPUIGQHCANROIM-IUODEOHRSA-N 2 0 298.431 -0.160 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000567350951 334707105 /nfs/dbraw/zinc/70/71/05/334707105.db2.gz JATIDELWFZWPHF-QWRGUYRKSA-N 2 0 270.377 -0.656 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000567383683 334711309 /nfs/dbraw/zinc/71/13/09/334711309.db2.gz UBVHACBHHOYACN-RYUDHWBXSA-N 2 0 292.387 -0.241 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000567845316 334767512 /nfs/dbraw/zinc/76/75/12/334767512.db2.gz SQVSXAVMMHNKJD-JGVFFNPUSA-N 2 0 251.277 -0.536 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH+]2CCC1CC2 ZINC000567822727 334764640 /nfs/dbraw/zinc/76/46/40/334764640.db2.gz OGMCFTUYHKUKIJ-GFCCVEGCSA-N 2 0 253.346 -0.329 20 0 CBADRP CC1(CNC(=O)C[C@@H]2C[NH2+]CCO2)CC[NH2+]CC1 ZINC000567839076 334766832 /nfs/dbraw/zinc/76/68/32/334766832.db2.gz VMPJDGGVCWFOLB-LLVKDONJSA-N 2 0 255.362 -0.129 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000567872446 334770246 /nfs/dbraw/zinc/77/02/46/334770246.db2.gz TUWWEBXLCOJGAU-LBPRGKRZSA-N 2 0 286.420 -0.053 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000567911006 334774786 /nfs/dbraw/zinc/77/47/86/334774786.db2.gz LCDOEWULLNEYEJ-IJLUTSLNSA-N 2 0 255.362 -0.036 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000568266677 334810478 /nfs/dbraw/zinc/81/04/78/334810478.db2.gz GYYFHNWATVYJGT-WZRBSPASSA-N 2 0 255.362 -0.144 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000569102828 334855248 /nfs/dbraw/zinc/85/52/48/334855248.db2.gz WPVFZVCXFMRXGN-QWHCGFSZSA-N 2 0 267.373 -0.131 20 0 CBADRP C([C@H]1CCC[NH2+]C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000572643090 334868733 /nfs/dbraw/zinc/86/87/33/334868733.db2.gz IVJXTFJGPAELMC-KBPBESRZSA-N 2 0 252.406 -0.035 20 0 CBADRP CCS(=O)(=O)NCCC[N@H+](C)C1CC[NH2+]CC1 ZINC000576346769 335192514 /nfs/dbraw/zinc/19/25/14/335192514.db2.gz YWJMXNXDLBPAHY-UHFFFAOYSA-N 2 0 263.407 0.000 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000576359434 335194489 /nfs/dbraw/zinc/19/44/89/335194489.db2.gz AZUGUBBFICACJQ-RWMBFGLXSA-N 2 0 294.399 -0.369 20 0 CBADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000576493940 335211356 /nfs/dbraw/zinc/21/13/56/335211356.db2.gz NSJYXIHSGOGBDQ-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP COC[C@@]1(CNC(=O)c2cn(CCC[NH3+])nn2)CCC[NH2+]1 ZINC000576577075 335220717 /nfs/dbraw/zinc/22/07/17/335220717.db2.gz ZNTPRKDJYALKLC-ZDUSSCGKSA-N 2 0 296.375 -0.875 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000576581841 335221793 /nfs/dbraw/zinc/22/17/93/335221793.db2.gz RJWRYSHZLCEFRZ-QWRGUYRKSA-N 2 0 270.377 -0.845 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000576635259 335228647 /nfs/dbraw/zinc/22/86/47/335228647.db2.gz MOLGKMMSUSJDCQ-VHSXEESVSA-N 2 0 263.345 -0.080 20 0 CBADRP CC[C@@H](C)NC(=O)CCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000576807510 335249687 /nfs/dbraw/zinc/24/96/87/335249687.db2.gz ZHGIZZVZJARXJH-NEPJUHHUSA-N 2 0 299.419 -0.425 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000576821192 335251664 /nfs/dbraw/zinc/25/16/64/335251664.db2.gz CNZUOPNJSHEDRH-LBPRGKRZSA-N 2 0 255.362 -0.049 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)C1CC([NH3+])C1 ZINC000576827047 335252919 /nfs/dbraw/zinc/25/29/19/335252919.db2.gz YAWCKZNMWRNHKH-AMUVOQDHSA-N 2 0 256.350 -0.966 20 0 CBADRP C[NH2+]CCC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000576988150 335274306 /nfs/dbraw/zinc/27/43/06/335274306.db2.gz GPQIWPKDRLPIHT-NSHDSACASA-N 2 0 270.377 -0.558 20 0 CBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000580551641 335278829 /nfs/dbraw/zinc/27/88/29/335278829.db2.gz XFEWVTJWNGEHFR-MNOVXSKESA-N 2 0 272.393 -0.362 20 0 CBADRP C[C@H]1CN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@H]1N1CCOCC1 ZINC000577066104 335294503 /nfs/dbraw/zinc/29/45/03/335294503.db2.gz JKKGUEAJZMBQEP-JLNYLFASSA-N 2 0 279.384 -0.083 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000577172010 335314495 /nfs/dbraw/zinc/31/44/95/335314495.db2.gz SSYMLSIXPUREOX-SCVCMEIPSA-N 2 0 280.376 -0.257 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000577374983 335344340 /nfs/dbraw/zinc/34/43/40/335344340.db2.gz NYWUSSAQCQDDHW-LLVKDONJSA-N 2 0 253.346 -0.282 20 0 CBADRP CC(C)[C@@H](CNC(=O)N[C@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000577389722 335347097 /nfs/dbraw/zinc/34/70/97/335347097.db2.gz NIQDJYXIHVLPNH-UONOGXRCSA-N 2 0 297.447 -0.081 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[NH2+][C@@H](C)C1)c1cnn(C)c1 ZINC000577391763 335347454 /nfs/dbraw/zinc/34/74/54/335347454.db2.gz SEOXIPGCHZNWHO-ONGXEEELSA-N 2 0 251.334 -0.499 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)N1CC[NH+](C)CC1 ZINC000577489822 335358250 /nfs/dbraw/zinc/35/82/50/335358250.db2.gz ZGGIVRKDHLMIBP-FRRDWIJNSA-N 2 0 268.405 -0.264 20 0 CBADRP C[N@H+](CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C1CC1 ZINC000577509812 335362609 /nfs/dbraw/zinc/36/26/09/335362609.db2.gz UDBBQGRPVCLKCV-NWDGAFQWSA-N 2 0 295.387 -0.966 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N(C)Cc1c[nH]cn1 ZINC000577531003 335365864 /nfs/dbraw/zinc/36/58/64/335365864.db2.gz QUDFLCBNYRDRBU-UHFFFAOYSA-N 2 0 293.371 -0.078 20 0 CBADRP CNC(=O)NC(=O)CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000177382182 335371281 /nfs/dbraw/zinc/37/12/81/335371281.db2.gz FECVEVSXOFWQBJ-UHFFFAOYSA-N 2 0 299.419 -0.600 20 0 CBADRP O=C1CCCN1[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000577634114 335383508 /nfs/dbraw/zinc/38/35/08/335383508.db2.gz CXIPZYDXKBGXNZ-AWEZNQCLSA-N 2 0 280.416 -0.022 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000577727955 335393037 /nfs/dbraw/zinc/39/30/37/335393037.db2.gz JXTWAUGAEFCDHQ-ZJUUUORDSA-N 2 0 257.334 -0.475 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000577747860 335396687 /nfs/dbraw/zinc/39/66/87/335396687.db2.gz CRWCUSQGNXIBGL-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000578352322 335617897 /nfs/dbraw/zinc/61/78/97/335617897.db2.gz SJVJDNMYVFAEQL-NEPJUHHUSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000578551984 335649070 /nfs/dbraw/zinc/64/90/70/335649070.db2.gz VCSSHZDDGUWGMN-OLZOCXBDSA-N 2 0 296.415 -0.299 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCC[C@@H]1CCC[NH2+]1 ZINC000578625702 335655407 /nfs/dbraw/zinc/65/54/07/335655407.db2.gz GPLFZELVDFTWAP-STQMWFEESA-N 2 0 296.415 -0.107 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC[NH2+]C1 ZINC000578625183 335655477 /nfs/dbraw/zinc/65/54/77/335655477.db2.gz ACMOEZTXFNHWQL-MDZLAQPJSA-N 2 0 255.362 -0.273 20 0 CBADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NC3C[NH2+]C3)C2)CC1 ZINC000578972223 335694253 /nfs/dbraw/zinc/69/42/53/335694253.db2.gz VVVCCBMBXVBVTN-GFCCVEGCSA-N 2 0 294.399 -0.735 20 0 CBADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](O)COC)CC1 ZINC000578981921 335695256 /nfs/dbraw/zinc/69/52/56/335695256.db2.gz VPHXAXCPSXYLCR-KBPBESRZSA-N 2 0 273.421 -0.143 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000578988904 335696413 /nfs/dbraw/zinc/69/64/13/335696413.db2.gz REWDJEXUWMNMFG-GHMZBOCLSA-N 2 0 284.404 -0.171 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000579948741 335934343 /nfs/dbraw/zinc/93/43/43/335934343.db2.gz WRABJFSANNHHOY-HZSPNIEDSA-N 2 0 299.415 -0.428 20 0 CBADRP [NH3+][C@@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)C1CC1 ZINC000579954089 335935841 /nfs/dbraw/zinc/93/58/41/335935841.db2.gz BNDZMVLJPZBJNV-LBPRGKRZSA-N 2 0 277.372 -0.185 20 0 CBADRP C[C@@H]1OCC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@H]1C ZINC000380600204 336003453 /nfs/dbraw/zinc/00/34/53/336003453.db2.gz ZXQWUECQIWZBHI-RYUDHWBXSA-N 2 0 255.362 -0.083 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](CC2CC2)CC1 ZINC000380604504 336004135 /nfs/dbraw/zinc/00/41/35/336004135.db2.gz FOGFWZLKLDNICT-OAHLLOKOSA-N 2 0 285.432 -0.047 20 0 CBADRP C[NH+](C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000581259699 336033529 /nfs/dbraw/zinc/03/35/29/336033529.db2.gz RKMYMVCYLAMCNR-UHFFFAOYSA-N 2 0 253.350 -0.264 20 0 CBADRP COCC[NH2+]CCNC(=O)c1csc(CC[NH3+])n1 ZINC000194841262 336039310 /nfs/dbraw/zinc/03/93/10/336039310.db2.gz POZJTAINMKLRRU-UHFFFAOYSA-N 2 0 272.374 -0.390 20 0 CBADRP COCCCNC(=O)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000381002624 336043513 /nfs/dbraw/zinc/04/35/13/336043513.db2.gz NAXZYFZWNZUAPA-CYBMUJFWSA-N 2 0 255.362 -0.176 20 0 CBADRP COC(=O)CCNC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000581311234 336045912 /nfs/dbraw/zinc/04/59/12/336045912.db2.gz QDKFYZDXGJWIEQ-SNVBAGLBSA-N 2 0 271.361 -0.275 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN(C)CC[NH+]1CCCC1 ZINC000382468437 336091269 /nfs/dbraw/zinc/09/12/69/336091269.db2.gz AWDNTHRFLATABN-AWEZNQCLSA-N 2 0 273.421 -0.047 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000581547396 336099809 /nfs/dbraw/zinc/09/98/09/336099809.db2.gz YBZJTJINCZENSP-LLVKDONJSA-N 2 0 270.377 -0.701 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000581547397 336099900 /nfs/dbraw/zinc/09/99/00/336099900.db2.gz YBZJTJINCZENSP-NSHDSACASA-N 2 0 270.377 -0.701 20 0 CBADRP CN1CC[C@@H]([N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1=O ZINC000581608408 336111717 /nfs/dbraw/zinc/11/17/17/336111717.db2.gz CPDNKKAZLWVLGM-VXGBXAGGSA-N 2 0 267.373 -0.096 20 0 CBADRP CCOCCNC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000581667324 336125162 /nfs/dbraw/zinc/12/51/62/336125162.db2.gz DJTDBEXBDIEOQR-HIFRSBDPSA-N 2 0 299.415 -0.033 20 0 CBADRP CCCNC(=O)CN(C)C(=O)CN(C)C1CC([NH3+])C1 ZINC000384986053 336135657 /nfs/dbraw/zinc/13/56/57/336135657.db2.gz KAWAFPHUGQBSJT-UHFFFAOYSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H](CNC(=O)C1(C)C[NH2+]C1)N1CC[NH+](C)CC1 ZINC000581724054 336137686 /nfs/dbraw/zinc/13/76/86/336137686.db2.gz LNJIUKVWLFIHIZ-LLVKDONJSA-N 2 0 254.378 -0.652 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000581727101 336138652 /nfs/dbraw/zinc/13/86/52/336138652.db2.gz GOUVEPDHYBTZSQ-GRYCIOLGSA-N 2 0 285.413 -0.329 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000581822960 336147500 /nfs/dbraw/zinc/14/75/00/336147500.db2.gz YZSCHHKQZJYDIU-RDBSUJKOSA-N 2 0 280.416 -0.119 20 0 CBADRP CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CC([NH3+])C1 ZINC000581883535 336159099 /nfs/dbraw/zinc/15/90/99/336159099.db2.gz LJMPNUXWHKUBGY-VQXHTEKXSA-N 2 0 268.361 -0.807 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000581883711 336159198 /nfs/dbraw/zinc/15/91/98/336159198.db2.gz VQMNSSKRGDJPBA-UTUOFQBUSA-N 2 0 292.387 -0.242 20 0 CBADRP C[C@H](C(=O)NC(N)=O)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000581884980 336159745 /nfs/dbraw/zinc/15/97/45/336159745.db2.gz WRYCDUFQNBRUQK-IEBDPFPHSA-N 2 0 284.360 -0.602 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C[C@@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC000157875903 525252397 /nfs/dbraw/zinc/25/23/97/525252397.db2.gz IKYZRJADBFIRLE-GRYCIOLGSA-N 2 0 255.362 -0.036 20 0 CBADRP CC(=O)N1CCN(C(=O)C[NH+]2CCC(C[NH3+])CC2)CC1 ZINC000044513628 526609740 /nfs/dbraw/zinc/60/97/40/526609740.db2.gz FJKQPWGGVIHMSC-UHFFFAOYSA-N 2 0 282.388 -0.652 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NCC[NH+]1CCCCC1 ZINC000049575477 526787038 /nfs/dbraw/zinc/78/70/38/526787038.db2.gz JLDSWNLMPADGGT-UHFFFAOYSA-N 2 0 254.378 -0.506 20 0 CBADRP CC[N@H+](CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000377525392 527898308 /nfs/dbraw/zinc/89/83/08/527898308.db2.gz PECDMRKMEZSQIS-AWEZNQCLSA-N 2 0 280.416 -0.023 20 0 CBADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000377807024 527899114 /nfs/dbraw/zinc/89/91/14/527899114.db2.gz MPSUOIKXPIZJBG-UONOGXRCSA-N 2 0 282.432 -0.016 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C)C[NH3+])CC1 ZINC000357229898 535738857 /nfs/dbraw/zinc/73/88/57/535738857.db2.gz WHIJOWCRNWPARA-VXGBXAGGSA-N 2 0 256.394 -0.277 20 0 CBADRP CN1C(=O)C(=O)N(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1=O ZINC000129276461 582123045 /nfs/dbraw/zinc/12/30/45/582123045.db2.gz XRWPHBUPQXACTO-GHMZBOCLSA-N 2 0 294.355 -0.219 20 0 CBADRP COCC[N@H+](C)CCNC(=O)c1ccnc(C[NH3+])c1 ZINC000130265257 582123383 /nfs/dbraw/zinc/12/33/83/582123383.db2.gz AIAHYVLGIJNCRO-UHFFFAOYSA-N 2 0 266.345 -0.152 20 0 CBADRP C[NH+]1CCN(CCNC(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000137300331 582126002 /nfs/dbraw/zinc/12/60/02/582126002.db2.gz ZRAKEOILFPRSDY-LBPRGKRZSA-N 2 0 254.378 -0.523 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)CN1CC[NH2+]CC1 ZINC000230712050 582129600 /nfs/dbraw/zinc/12/96/00/582129600.db2.gz NUDCSSYOCKCBLE-UHFFFAOYSA-N 2 0 256.394 -0.308 20 0 CBADRP COCCC[N@H+](C)CCNC(=S)NCC[NH+](C)C ZINC000741506528 582270173 /nfs/dbraw/zinc/27/01/73/582270173.db2.gz HPLGSPNTGALBOQ-UHFFFAOYSA-N 2 0 276.450 -0.020 20 0 CBADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCS(N)(=O)=O)C1 ZINC000746675205 582285191 /nfs/dbraw/zinc/28/51/91/582285191.db2.gz LKDRFHLGLBUUTM-GFCCVEGCSA-N 2 0 293.433 -0.292 20 0 CBADRP C[NH+](C)CCNC(=S)NCCCN1CC[NH+](C)CC1 ZINC000747740776 582286788 /nfs/dbraw/zinc/28/67/88/582286788.db2.gz XDLILWGYLIHMGK-UHFFFAOYSA-N 2 0 287.477 -0.350 20 0 CBADRP CC(C)(CO)[NH+]1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000749325572 582289444 /nfs/dbraw/zinc/28/94/44/582289444.db2.gz VKRBJZOKNQVQNM-AWEZNQCLSA-N 2 0 285.432 -0.168 20 0 CBADRP OCCCC[NH+]1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000749366587 582289583 /nfs/dbraw/zinc/28/95/83/582289583.db2.gz NQPHTDBXGLTATP-OAHLLOKOSA-N 2 0 285.432 -0.167 20 0 CBADRP C[NH+](C)CC(=O)N1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000763023909 582318920 /nfs/dbraw/zinc/31/89/20/582318920.db2.gz ARTGOWUSOIBRNN-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP OC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000782528816 582369086 /nfs/dbraw/zinc/36/90/86/582369086.db2.gz FUFREQIRGUBLKP-KBPBESRZSA-N 2 0 272.389 -0.180 20 0 CBADRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000783919014 582373123 /nfs/dbraw/zinc/37/31/23/582373123.db2.gz WSHLJMNXNLEOMV-KBPBESRZSA-N 2 0 280.416 -0.023 20 0 CBADRP C[NH+]1CCC(C[NH+]2CCN(C(=O)CO)CC2)CC1 ZINC000788485457 582386239 /nfs/dbraw/zinc/38/62/39/582386239.db2.gz KUSCKMUTTJCPNZ-UHFFFAOYSA-N 2 0 255.362 -0.535 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC[S@@](C)=O ZINC000798197824 582414530 /nfs/dbraw/zinc/41/45/30/582414530.db2.gz VKHRLXAOHITBJK-QGZVFWFLSA-N 2 0 261.435 -0.066 20 0 CBADRP C[C@H](C[NH3+])C(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000818583283 582512137 /nfs/dbraw/zinc/51/21/37/582512137.db2.gz QCVJBULRWJUUGD-SECBINFHSA-N 2 0 264.329 -0.092 20 0 CBADRP CON(C)C(=O)CC[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000819059341 582525624 /nfs/dbraw/zinc/52/56/24/582525624.db2.gz WQNLKFZVZSZGHK-ZDUSSCGKSA-N 2 0 286.420 -0.131 20 0 CBADRP CO[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C(F)(F)F ZINC000819070389 582526087 /nfs/dbraw/zinc/52/60/87/582526087.db2.gz VEBNABYRYUTNTR-MNOVXSKESA-N 2 0 299.337 -0.238 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2COC(C)(C)O2)CC1 ZINC000819153720 582527888 /nfs/dbraw/zinc/52/78/88/582527888.db2.gz CZTXXSFIHFGCPF-CHWSQXEVSA-N 2 0 287.404 -0.664 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C2COC(C)(C)OC2)CC1 ZINC000819225829 582529392 /nfs/dbraw/zinc/52/93/92/582529392.db2.gz HOUCYBPODZBBBL-ZDUSSCGKSA-N 2 0 287.404 -0.664 20 0 CBADRP CN(CCNC(=O)C[NH+]1CCCC1)C(=O)C[NH+]1CCCC1 ZINC000822290732 582630722 /nfs/dbraw/zinc/63/07/22/582630722.db2.gz GESWKNUKJDRALP-UHFFFAOYSA-N 2 0 296.415 -0.247 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC[NH+]1CCC(O)CC1 ZINC000823408868 582668893 /nfs/dbraw/zinc/66/88/93/582668893.db2.gz BZGHIHDJXORLBB-UHFFFAOYSA-N 2 0 255.362 -0.345 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[NH+]1CCCC1 ZINC000824503148 582699167 /nfs/dbraw/zinc/69/91/67/582699167.db2.gz JVJJFBGSQQNFGH-UHFFFAOYSA-N 2 0 284.404 -0.439 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCN3CCC4)CC[C@H]21 ZINC000827290407 582809422 /nfs/dbraw/zinc/80/94/22/582809422.db2.gz TWYIXBDNJNLTBR-RBSFLKMASA-N 2 0 292.427 -0.071 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC2)C1 ZINC000829715557 582896055 /nfs/dbraw/zinc/89/60/55/582896055.db2.gz OTKAFWIGWYMRBK-XQQFMLRXSA-N 2 0 266.389 -0.428 20 0 CBADRP C[C@H](CNC(=O)C[C@@H]([NH3+])C1CC1)N1CC[NH+](C)CC1 ZINC000829918600 582906348 /nfs/dbraw/zinc/90/63/48/582906348.db2.gz TUIZCNXIZCGXRH-DGCLKSJQSA-N 2 0 268.405 -0.134 20 0 CBADRP [NH3+]CCCCCCNC(=O)NCCN1CC[NH2+]CC1 ZINC000831172485 582963031 /nfs/dbraw/zinc/96/30/31/582963031.db2.gz IYMGZAUKEVSHQY-UHFFFAOYSA-N 2 0 271.409 -0.290 20 0 CBADRP CN1CCN(C(=O)NCCCCCC[NH3+])[C@@H](C[NH3+])C1 ZINC000831291404 582974694 /nfs/dbraw/zinc/97/46/94/582974694.db2.gz MWPUZDCPPWOFTL-LBPRGKRZSA-N 2 0 271.409 -0.210 20 0 CBADRP O=C(N1CCN([C@H]2CC[NH2+]C2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000831683658 582993707 /nfs/dbraw/zinc/99/37/07/582993707.db2.gz XUBQQBRMAVYYPQ-WCQYABFASA-N 2 0 270.352 -0.806 20 0 CBADRP CCO[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C[NH+](C)C ZINC000831737121 582999796 /nfs/dbraw/zinc/99/97/96/582999796.db2.gz CPYCBASAEAFCAE-ZIAGYGMSSA-N 2 0 298.431 -0.541 20 0 CBADRP C[NH+](C)CCOCCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000831992581 583010241 /nfs/dbraw/zinc/01/02/41/583010241.db2.gz HKHXDUPMRKDGSB-UHFFFAOYSA-N 2 0 281.360 -0.637 20 0 CBADRP [NH3+]CCOCC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000832606904 583032249 /nfs/dbraw/zinc/03/22/49/583032249.db2.gz NYRBCKPYJNPORJ-UHFFFAOYSA-N 2 0 253.302 -0.062 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000832828506 583049420 /nfs/dbraw/zinc/04/94/20/583049420.db2.gz DDOBNBSLHVFBEM-VIFPVBQESA-N 2 0 263.345 -0.121 20 0 CBADRP C[NH2+][C@H](C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)c1cnn(C)c1 ZINC000834316820 583120199 /nfs/dbraw/zinc/12/01/99/583120199.db2.gz LCGGSYXWOIXMNY-JLLWLGSASA-N 2 0 281.360 -0.745 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000834618829 583133617 /nfs/dbraw/zinc/13/36/17/583133617.db2.gz RQOYKEKXXUEOHQ-ONGXEEELSA-N 2 0 251.334 -0.115 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)C(F)F ZINC000834831951 583137128 /nfs/dbraw/zinc/13/71/28/583137128.db2.gz UGPDGILTKUQXHJ-MRVPVSSYSA-N 2 0 273.287 -0.232 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000841790826 583174587 /nfs/dbraw/zinc/17/45/87/583174587.db2.gz KSGOXHPYIKRGJG-YNEHKIRRSA-N 2 0 282.388 -0.099 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000841790821 583174703 /nfs/dbraw/zinc/17/47/03/583174703.db2.gz KSGOXHPYIKRGJG-AVGNSLFASA-N 2 0 282.388 -0.099 20 0 CBADRP COC[C@]1(CNC(=O)[C@@]2(F)CC[NH2+]C2)CCC[NH2+]1 ZINC000841851433 583175262 /nfs/dbraw/zinc/17/52/62/583175262.db2.gz QBONKVVVIUSAIA-VXGBXAGGSA-N 2 0 259.325 -0.427 20 0 CBADRP C[C@@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000841854708 583175366 /nfs/dbraw/zinc/17/53/66/583175366.db2.gz GJYMTPMDRQDKQY-UTUOFQBUSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000841854707 583175397 /nfs/dbraw/zinc/17/53/97/583175397.db2.gz GJYMTPMDRQDKQY-TUAOUCFPSA-N 2 0 255.362 -0.036 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000842015192 583177858 /nfs/dbraw/zinc/17/78/58/583177858.db2.gz HOEDOAXLLQGMFR-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000842014584 583177892 /nfs/dbraw/zinc/17/78/92/583177892.db2.gz CSYCAIRVVOGHFE-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[NH+]1CCCCC1 ZINC000842016069 583178042 /nfs/dbraw/zinc/17/80/42/583178042.db2.gz RIYVMLNJDGKQTI-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])[NH+]1CCCCC1 ZINC000842016039 583178081 /nfs/dbraw/zinc/17/80/81/583178081.db2.gz QUBCLSDYRMQXHQ-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000842517802 583185240 /nfs/dbraw/zinc/18/52/40/583185240.db2.gz OXEBODAUJVHUKF-GRYCIOLGSA-N 2 0 253.346 -0.567 20 0 CBADRP CS(=O)(=O)CC[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000843073218 583199842 /nfs/dbraw/zinc/19/98/42/583199842.db2.gz OMQFLVXAWHVKAT-LBPRGKRZSA-N 2 0 278.418 -0.143 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCCCCC[NH3+])C1 ZINC000843266934 583205735 /nfs/dbraw/zinc/20/57/35/583205735.db2.gz QMEBGFARUMIWNZ-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)NCC1CC[NH2+]CC1 ZINC000843304619 583207548 /nfs/dbraw/zinc/20/75/48/583207548.db2.gz NJEAEMXVTGCRSX-GFCCVEGCSA-N 2 0 255.362 -0.129 20 0 CBADRP CC[NH2+]CC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843317751 583208529 /nfs/dbraw/zinc/20/85/29/583208529.db2.gz QRLJNUAZYFMZHQ-GFCCVEGCSA-N 2 0 282.388 -0.734 20 0 CBADRP COC[C@H]([NH3+])C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000843326161 583208994 /nfs/dbraw/zinc/20/89/94/583208994.db2.gz DBNPBMKQLFYPRH-LBPRGKRZSA-N 2 0 251.330 -0.222 20 0 CBADRP O=C(CC[N@@H+]1CCC2(C1)CC[NH2+]CC2)N1CC[NH2+]CC1 ZINC000843364829 583212470 /nfs/dbraw/zinc/21/24/70/583212470.db2.gz XOYNCZZDTVKFNP-UHFFFAOYSA-N 3 0 280.416 -0.116 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)CCO1 ZINC000843357990 583212501 /nfs/dbraw/zinc/21/25/01/583212501.db2.gz VIKHOWNEVFDRAM-SRVKXCTJSA-N 2 0 271.361 -0.670 20 0 CBADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@H]1CCCCNC1=O ZINC000843358814 583212586 /nfs/dbraw/zinc/21/25/86/583212586.db2.gz RTDXQQLNMADYNJ-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP O=C1OCC[C@@H]1N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000843369820 583213202 /nfs/dbraw/zinc/21/32/02/583213202.db2.gz VPVLZHUBOKYPBX-MNOVXSKESA-N 2 0 267.329 -0.802 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000843461387 583222494 /nfs/dbraw/zinc/22/24/94/583222494.db2.gz USAQOORTUIBGGN-TZMCWYRMSA-N 2 0 267.373 -0.033 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)NCC1=CC[NH2+]CC1 ZINC000843461899 583223179 /nfs/dbraw/zinc/22/31/79/583223179.db2.gz UHWRDVCOIVECPV-GFCCVEGCSA-N 2 0 253.346 -0.209 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843470241 583224513 /nfs/dbraw/zinc/22/45/13/583224513.db2.gz YRXSTNUDHVUHJF-UTUOFQBUSA-N 2 0 255.362 -0.131 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000843478557 583225930 /nfs/dbraw/zinc/22/59/30/583225930.db2.gz OLLGWPQVWSIUAI-QWRGUYRKSA-N 2 0 269.345 -0.523 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843480466 583226453 /nfs/dbraw/zinc/22/64/53/583226453.db2.gz XIMGAGZJSSLSJA-NEPJUHHUSA-N 2 0 299.371 -0.882 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000843481174 583226461 /nfs/dbraw/zinc/22/64/61/583226461.db2.gz PWJPYYYXRSJLJW-ZIAGYGMSSA-N 2 0 296.415 -0.739 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H]1C[NH2+]CCCO1 ZINC000843486545 583227454 /nfs/dbraw/zinc/22/74/54/583227454.db2.gz UMLLYDUXULJEPK-VXGBXAGGSA-N 2 0 271.361 -0.750 20 0 CBADRP [NH3+]CCCCCCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000843512769 583232428 /nfs/dbraw/zinc/23/24/28/583232428.db2.gz PVGJTTMEQDTBCJ-LLVKDONJSA-N 2 0 270.377 -0.510 20 0 CBADRP C[NH+]1CCC(NC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844166872 583255635 /nfs/dbraw/zinc/25/56/35/583255635.db2.gz UPMQHMHWNQQQGK-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)NCC[NH+]1CCCC1 ZINC000844166697 583255792 /nfs/dbraw/zinc/25/57/92/583255792.db2.gz QBECISFEQVZAFE-LBPRGKRZSA-N 2 0 255.362 -0.033 20 0 CBADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1C[NH2+]CCO1 ZINC000844171758 583256111 /nfs/dbraw/zinc/25/61/11/583256111.db2.gz SDSXLUZIQVFASP-KBPBESRZSA-N 2 0 297.399 -0.266 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844172691 583256712 /nfs/dbraw/zinc/25/67/12/583256712.db2.gz GHUAEPFDBXVEEJ-ZDUSSCGKSA-N 2 0 287.404 -0.161 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844174875 583257367 /nfs/dbraw/zinc/25/73/67/583257367.db2.gz HBLKCPZDLDESBX-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000844179005 583257685 /nfs/dbraw/zinc/25/76/85/583257685.db2.gz CLHONJJPYASAEF-MJBXVCDLSA-N 2 0 297.399 -0.266 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844185002 583259383 /nfs/dbraw/zinc/25/93/83/583259383.db2.gz BVWMBLROPBIFQK-CYBMUJFWSA-N 2 0 287.404 -0.161 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844191535 583259925 /nfs/dbraw/zinc/25/99/25/583259925.db2.gz WVSCXUIRGLOELE-KBPBESRZSA-N 2 0 298.431 -0.493 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844192466 583260628 /nfs/dbraw/zinc/26/06/28/583260628.db2.gz TVJOQPPBQQREQD-AWEZNQCLSA-N 2 0 298.431 -0.491 20 0 CBADRP C[NH+](C)CCN1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1=O ZINC000844377958 583269358 /nfs/dbraw/zinc/26/93/58/583269358.db2.gz IZFBULWXNAOURM-AWEZNQCLSA-N 2 0 298.431 -0.851 20 0 CBADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000844920854 583285016 /nfs/dbraw/zinc/28/50/16/583285016.db2.gz NPOVBMKJSQGPOZ-MNOVXSKESA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]CCCCCC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000846221346 583355938 /nfs/dbraw/zinc/35/59/38/583355938.db2.gz XIBFAHYBMBPWRM-NSHDSACASA-N 2 0 268.361 -0.852 20 0 CBADRP [NH3+]CCN(CCO)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848605197 583451846 /nfs/dbraw/zinc/45/18/46/583451846.db2.gz KIXVFYYLJCYBGV-STQMWFEESA-N 2 0 284.404 -0.034 20 0 CBADRP C[NH+](C)CCNC(=S)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848650732 583453669 /nfs/dbraw/zinc/45/36/69/583453669.db2.gz TZWWKMPPXPUXAA-WDEREUQCSA-N 2 0 272.418 -0.827 20 0 CBADRP C[NH+]1CCN(C(C)(C)CNC(=[NH2+])N2CCOCC2)CC1 ZINC000848984165 583464076 /nfs/dbraw/zinc/46/40/76/583464076.db2.gz VEOPAIXUCLYHRK-UHFFFAOYSA-N 2 0 283.420 -0.131 20 0 CBADRP CC[NH+]1CCN(CCNC2=[NH+]CCCN2C)CC1 ZINC000848988019 583464515 /nfs/dbraw/zinc/46/45/15/583464515.db2.gz YTXSMDLAWYCHFZ-UHFFFAOYSA-N 2 0 253.394 -0.095 20 0 CBADRP CN(CCNC(=[NH2+])NCCCN1CCOCC1)C1CC1 ZINC000848997424 583465547 /nfs/dbraw/zinc/46/55/47/583465547.db2.gz GVQPKVKVEPUFCO-UHFFFAOYSA-N 3 0 283.420 -0.083 20 0 CBADRP C[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000849000107 583465876 /nfs/dbraw/zinc/46/58/76/583465876.db2.gz OUNMJYNIACTPCI-CHWSQXEVSA-N 2 0 283.420 -0.133 20 0 CBADRP C[C@@H](CNC1=[NH+]CCCN1C)N1CC[NH+](C)CC1 ZINC000848999928 583466027 /nfs/dbraw/zinc/46/60/27/583466027.db2.gz KFKWXJODTUQHFK-LBPRGKRZSA-N 2 0 253.394 -0.097 20 0 CBADRP C[C@H](CNC1=[NH+]CCCN1C)N1CC[NH+](C)CC1 ZINC000848999926 583466045 /nfs/dbraw/zinc/46/60/45/583466045.db2.gz KFKWXJODTUQHFK-GFCCVEGCSA-N 2 0 253.394 -0.097 20 0 CBADRP COCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCCO ZINC000849033965 583469865 /nfs/dbraw/zinc/46/98/65/583469865.db2.gz GPXPKJTZBMEWPG-LLVKDONJSA-N 2 0 258.366 -0.406 20 0 CBADRP CN1CC[NH+]=C1NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000849040707 583471194 /nfs/dbraw/zinc/47/11/94/583471194.db2.gz CLTFYBBWJNPCLT-UHFFFAOYSA-N 2 0 295.431 -0.326 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@H]1CC[NH2+]C1 ZINC000851655925 583517985 /nfs/dbraw/zinc/51/79/85/583517985.db2.gz CRAMTENYEWFRCZ-QJPTWQEYSA-N 2 0 268.361 -0.489 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000851689425 583521898 /nfs/dbraw/zinc/52/18/98/583521898.db2.gz OXYUBMGHTAHWCQ-VHSXEESVSA-N 2 0 270.377 -0.561 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)NC[C@H]([NH3+])c2ccccc2)=NO1 ZINC000852795185 583552984 /nfs/dbraw/zinc/55/29/84/583552984.db2.gz GEGGCZMAAAXSLP-MNOVXSKESA-N 2 0 262.313 -0.094 20 0 CBADRP CN1CCN(C(=O)C=C2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000852798258 583553234 /nfs/dbraw/zinc/55/32/34/583553234.db2.gz HSUPODPVHZWNQT-LBPRGKRZSA-N 2 0 252.362 -0.603 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C=C2CC[NH2+]CC2)CCO1 ZINC000852799074 583553335 /nfs/dbraw/zinc/55/33/35/583553335.db2.gz CUPKHAQTVSNGGQ-JQWIXIFHSA-N 2 0 253.346 -0.129 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC000852824859 583556464 /nfs/dbraw/zinc/55/64/64/583556464.db2.gz GVBIUIDDYYQPNQ-GHMZBOCLSA-N 2 0 255.362 -0.146 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CC23CCOCC3)CC[NH2+]1 ZINC000852825080 583556961 /nfs/dbraw/zinc/55/69/61/583556961.db2.gz JLMJQCJGHGGSNS-GHMZBOCLSA-N 2 0 253.346 -0.425 20 0 CBADRP C[C@H]1CN(C(=O)[C@H]2[NH2+]CC23CCOCC3)CC[NH2+]1 ZINC000852825083 583556985 /nfs/dbraw/zinc/55/69/85/583556985.db2.gz JLMJQCJGHGGSNS-WDEREUQCSA-N 2 0 253.346 -0.425 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000852833120 583558213 /nfs/dbraw/zinc/55/82/13/583558213.db2.gz VFVAPYQUXDJAGI-DTWKUNHWSA-N 2 0 265.304 -0.148 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852854679 583561179 /nfs/dbraw/zinc/56/11/79/583561179.db2.gz MTPALBMAYUDFRR-JTQLQIEISA-N 2 0 256.350 -0.062 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)C2=NO[C@@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000852857217 583561835 /nfs/dbraw/zinc/56/18/35/583561835.db2.gz MKENERINELXXBC-IJLUTSLNSA-N 2 0 298.387 -0.295 20 0 CBADRP C[NH+](C)[C@@]1(CNC(=O)C2=NO[C@H](C[NH3+])C2)CCSC1 ZINC000852858633 583562187 /nfs/dbraw/zinc/56/21/87/583562187.db2.gz FKLPSQHWUOOCSJ-JOYOIKCWSA-N 2 0 286.401 -0.357 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)C2=NO[C@H](C[NH3+])C2)cn1 ZINC000852862612 583562822 /nfs/dbraw/zinc/56/28/22/583562822.db2.gz DPFCPCCUMRHVSH-JTQLQIEISA-N 2 0 280.332 -0.513 20 0 CBADRP COCC[NH+]1CCC(NC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852862116 583562923 /nfs/dbraw/zinc/56/29/23/583562923.db2.gz TVNXZXMSYKLCMK-NSHDSACASA-N 2 0 284.360 -0.683 20 0 CBADRP C[NH+]1CCC(CCNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852863314 583563396 /nfs/dbraw/zinc/56/33/96/583563396.db2.gz SZTLKCHIMSRQOT-NSHDSACASA-N 2 0 268.361 -0.062 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852863844 583563422 /nfs/dbraw/zinc/56/34/22/583563422.db2.gz SDJJLNFLLIQOJZ-SNVBAGLBSA-N 2 0 256.350 -0.062 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)=NO1 ZINC000852865622 583563975 /nfs/dbraw/zinc/56/39/75/583563975.db2.gz JZUCHMBUROYGQY-WDEREUQCSA-N 2 0 266.345 -0.310 20 0 CBADRP CN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000852865417 583564116 /nfs/dbraw/zinc/56/41/16/583564116.db2.gz BVAVKELATLHRIE-QWRGUYRKSA-N 2 0 266.345 -0.215 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C2=NO[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC000852868817 583564705 /nfs/dbraw/zinc/56/47/05/583564705.db2.gz VKXHEEYWWGLGEI-BBBLOLIVSA-N 2 0 254.334 -0.311 20 0 CBADRP C[NH+]1CCN(c2ccc(NC(=O)C3(O)C[NH2+]C3)cc2)CC1 ZINC000852871946 583565109 /nfs/dbraw/zinc/56/51/09/583565109.db2.gz FUXLTYMYHFTBLN-UHFFFAOYSA-N 2 0 290.367 -0.289 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852870798 583565159 /nfs/dbraw/zinc/56/51/59/583565159.db2.gz YEIWPSDZRNOVNG-ZJUUUORDSA-N 2 0 254.334 -0.452 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CCN(c3cc[nH+]cc3)CC2)=NO1 ZINC000852873518 583565530 /nfs/dbraw/zinc/56/55/30/583565530.db2.gz XILBIPCRQMDFFM-GFCCVEGCSA-N 2 0 289.339 -0.166 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)=NO1 ZINC000852873916 583565534 /nfs/dbraw/zinc/56/55/34/583565534.db2.gz DMKMFWXXYYWDDS-GXSJLCMTSA-N 2 0 289.339 -0.060 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)=NO1 ZINC000852873917 583565641 /nfs/dbraw/zinc/56/56/41/583565641.db2.gz DMKMFWXXYYWDDS-KOLCDFICSA-N 2 0 289.339 -0.060 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)=NO1 ZINC000852872955 583565648 /nfs/dbraw/zinc/56/56/48/583565648.db2.gz UOWOZSWLOLCPIU-NEPJUHHUSA-N 2 0 296.371 -0.729 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852875477 583565837 /nfs/dbraw/zinc/56/58/37/583565837.db2.gz XLGPZJWTTDJFRQ-ZJUUUORDSA-N 2 0 254.334 -0.310 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852878012 583566483 /nfs/dbraw/zinc/56/64/83/583566483.db2.gz LFWWCZIDONQVFG-CIUDSAMLSA-N 2 0 258.297 -0.752 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)=NO1 ZINC000852880604 583566779 /nfs/dbraw/zinc/56/67/79/583566779.db2.gz NVIJTQZBYGPQCJ-NWDGAFQWSA-N 2 0 280.372 -0.062 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)NC[C@@H]2CC[C@@H](C[NH3+])CC2)=NO1 ZINC000852881173 583566885 /nfs/dbraw/zinc/56/68/85/583566885.db2.gz RWSVYMXWQZUQOI-GMTAPVOTSA-N 2 0 268.361 -0.029 20 0 CBADRP O=C(C=C1CC[NH2+]CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000852881251 583566920 /nfs/dbraw/zinc/56/69/20/583566920.db2.gz UCQWRDSANQZCKF-CQSZACIVSA-N 2 0 278.400 -0.198 20 0 CBADRP O=C(C=C1CC[NH2+]CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000852881237 583566934 /nfs/dbraw/zinc/56/69/34/583566934.db2.gz TYESBBKYUDTDAD-CQSZACIVSA-N 2 0 278.400 -0.198 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852882249 583567443 /nfs/dbraw/zinc/56/74/43/583567443.db2.gz AZIKXVGIVOECTI-WPRPVWTQSA-N 2 0 254.334 -0.406 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)C1=NO[C@H](C[NH3+])C1)C(F)(F)F ZINC000852883288 583567755 /nfs/dbraw/zinc/56/77/55/583567755.db2.gz XGAPKZNLFMVXQI-CAHLUQPWSA-N 2 0 268.239 -0.514 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CC[NH+]3CCC2CC3)=NO1 ZINC000852884812 583568380 /nfs/dbraw/zinc/56/83/80/583568380.db2.gz KXVXUZPDFPGNDP-SNVBAGLBSA-N 2 0 252.318 -0.603 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852884886 583568387 /nfs/dbraw/zinc/56/83/87/583568387.db2.gz PTJLBMKANLVDQB-CKYFFXLPSA-N 2 0 268.361 -0.111 20 0 CBADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852885470 583568752 /nfs/dbraw/zinc/56/87/52/583568752.db2.gz VJGIDZQFWWNFLH-ZYHUDNBSSA-N 2 0 268.361 -0.111 20 0 CBADRP C[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)C[C@@]1(C)C[NH3+] ZINC000852889514 583569778 /nfs/dbraw/zinc/56/97/78/583569778.db2.gz FBTQUCHFKWYCIG-KBVBSXBZSA-N 2 0 254.334 -0.467 20 0 CBADRP C[C@@H]1C[C@H](C)N(C(=O)C2=NO[C@H](C[NH3+])C2)C[C@@H]1C[NH3+] ZINC000852892578 583570428 /nfs/dbraw/zinc/57/04/28/583570428.db2.gz IDCPNABABOAERO-RCWTZXSCSA-N 2 0 268.361 -0.078 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000852893211 583570706 /nfs/dbraw/zinc/57/07/06/583570706.db2.gz SFRZOLREBBCAEL-NTZNESFSSA-N 2 0 253.346 -0.295 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852895478 583570931 /nfs/dbraw/zinc/57/09/31/583570931.db2.gz CLXXBMJLDAFBIC-NSHDSACASA-N 2 0 284.360 -0.683 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)=NO1 ZINC000852896000 583571229 /nfs/dbraw/zinc/57/12/29/583571229.db2.gz PLXXLJORNPYKTP-CWSCBRNRSA-N 2 0 266.345 -0.323 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852898436 583572104 /nfs/dbraw/zinc/57/21/04/583572104.db2.gz YTTRACOZOFXEBL-AEJSXWLSSA-N 2 0 254.334 -0.454 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852914575 583574154 /nfs/dbraw/zinc/57/41/54/583574154.db2.gz BVSGMPWJFRSGOR-NXEZZACHSA-N 2 0 254.334 -0.310 20 0 CBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)CCO1 ZINC000852924828 583575167 /nfs/dbraw/zinc/57/51/67/583575167.db2.gz UZSMXECLAWSIQD-RYUDHWBXSA-N 2 0 298.387 -0.341 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000857108942 583665358 /nfs/dbraw/zinc/66/53/58/583665358.db2.gz SQJMOYUFVDCDOH-SRVKXCTJSA-N 2 0 272.393 -0.180 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1COC(=O)N1 ZINC000859223342 583711521 /nfs/dbraw/zinc/71/15/21/583711521.db2.gz VDVYLHSLRUHOOK-JTQLQIEISA-N 2 0 272.349 -0.953 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000861573347 583771321 /nfs/dbraw/zinc/77/13/21/583771321.db2.gz GCBZTTDSRKBTEE-RYUDHWBXSA-N 2 0 271.409 -0.389 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000861574846 583771411 /nfs/dbraw/zinc/77/14/11/583771411.db2.gz ZBTZDCKSLPNYPC-AGIUHOORSA-N 2 0 298.387 -0.863 20 0 CBADRP [NH3+]CCc1ccc(CNC(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000861638834 583773944 /nfs/dbraw/zinc/77/39/44/583773944.db2.gz MGESUJSTDVYEJF-AWEZNQCLSA-N 2 0 292.383 -0.025 20 0 CBADRP [NH3+]CCCCCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861648174 583775586 /nfs/dbraw/zinc/77/55/86/583775586.db2.gz OQRZSEBVIIECNY-LLVKDONJSA-N 2 0 258.366 -0.207 20 0 CBADRP [NH3+]CCN(CCO)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861658438 583776064 /nfs/dbraw/zinc/77/60/64/583776064.db2.gz JNOQMBVLGZUKGG-JTQLQIEISA-N 2 0 256.350 -0.766 20 0 CBADRP CN(C(=O)NC[C@@H]1COCC[NH2+]1)C1CCC([NH3+])CC1 ZINC000861686964 583777977 /nfs/dbraw/zinc/77/79/77/583777977.db2.gz HGIBGRFUSXAWGQ-MOENNCHZSA-N 2 0 270.377 -0.114 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000861737165 583782460 /nfs/dbraw/zinc/78/24/60/583782460.db2.gz VYMGUXCRDVUKJG-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000861737934 583782656 /nfs/dbraw/zinc/78/26/56/583782656.db2.gz RSESAGCFDYLQOS-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000861737933 583782691 /nfs/dbraw/zinc/78/26/91/583782691.db2.gz RSESAGCFDYLQOS-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000861737935 583782699 /nfs/dbraw/zinc/78/26/99/583782699.db2.gz RSESAGCFDYLQOS-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000861737936 583782704 /nfs/dbraw/zinc/78/27/04/583782704.db2.gz RSESAGCFDYLQOS-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000861742871 583783046 /nfs/dbraw/zinc/78/30/46/583783046.db2.gz NABWJPHZOAOUHT-ZJUUUORDSA-N 2 0 258.366 -0.752 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000861744690 583783284 /nfs/dbraw/zinc/78/32/84/583783284.db2.gz NJVCOVJCXBQEFY-UTUOFQBUSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861744212 583783365 /nfs/dbraw/zinc/78/33/65/583783365.db2.gz USKBGKQPECFBSC-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000861752270 583783974 /nfs/dbraw/zinc/78/39/74/583783974.db2.gz DJBAVYSBCBSIOP-NHCYSSNCSA-N 2 0 282.388 -0.609 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000861763373 583784985 /nfs/dbraw/zinc/78/49/85/583784985.db2.gz WGVFGVGOLIHSHQ-QWRGUYRKSA-N 2 0 282.388 -0.441 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000861763367 583785146 /nfs/dbraw/zinc/78/51/46/583785146.db2.gz WGVFGVGOLIHSHQ-GHMZBOCLSA-N 2 0 282.388 -0.441 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000861763403 583785408 /nfs/dbraw/zinc/78/54/08/583785408.db2.gz WLKZPRAPHSZAGD-NSHDSACASA-N 2 0 296.415 -0.217 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861769735 583785420 /nfs/dbraw/zinc/78/54/20/583785420.db2.gz BVRLLABPLMNFCV-JTQLQIEISA-N 2 0 258.366 -0.750 20 0 CBADRP [NH3+]CCOCC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549714 583846411 /nfs/dbraw/zinc/84/64/11/583846411.db2.gz PPIVCUVQFDZNTN-OLZOCXBDSA-N 3 0 298.387 -0.781 20 0 CBADRP C[N@H+](CCOCC[NH3+])[C@H]1CCN(C2CCOCC2)C1=O ZINC000863555405 583846690 /nfs/dbraw/zinc/84/66/90/583846690.db2.gz RMNDFVBPDOVZDS-ZDUSSCGKSA-N 2 0 285.388 -0.327 20 0 CBADRP COC(=O)C1=CC[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000863573063 583847399 /nfs/dbraw/zinc/84/73/99/583847399.db2.gz SQFQVVPIDLXVIT-ZIAGYGMSSA-N 2 0 297.399 -0.554 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000863749885 583852431 /nfs/dbraw/zinc/85/24/31/583852431.db2.gz DYGHQFKCLRVPNJ-CHWSQXEVSA-N 2 0 296.415 -0.121 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000863751360 583852613 /nfs/dbraw/zinc/85/26/13/583852613.db2.gz HJZWHZUSYAGMMM-NEPJUHHUSA-N 2 0 284.404 -0.265 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000863754357 583852904 /nfs/dbraw/zinc/85/29/04/583852904.db2.gz QRFCWMZQRMTMKB-LBPRGKRZSA-N 2 0 284.404 -0.265 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000863763314 583854567 /nfs/dbraw/zinc/85/45/67/583854567.db2.gz YJCDGFCFAIMZNW-AVGNSLFASA-N 2 0 296.415 -0.265 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000863763858 583854782 /nfs/dbraw/zinc/85/47/82/583854782.db2.gz KSAINMVXEQAKLO-VXGBXAGGSA-N 2 0 284.404 -0.408 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863767489 583855201 /nfs/dbraw/zinc/85/52/01/583855201.db2.gz QKYLSDTXRNSOQR-UPJWGTAASA-N 2 0 296.415 -0.123 20 0 CBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000863769056 583855540 /nfs/dbraw/zinc/85/55/40/583855540.db2.gz DQSSNUNPNACIPZ-LLVKDONJSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000863774324 583856189 /nfs/dbraw/zinc/85/61/89/583856189.db2.gz VCMRHERIMJEBJC-NEPJUHHUSA-N 2 0 280.372 -0.735 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)C[NH+](C)C1CCC1 ZINC000863905563 583860564 /nfs/dbraw/zinc/86/05/64/583860564.db2.gz MULOASODMIOXAZ-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP C[C@H](CNC(=O)[C@@H](F)C(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000864827188 583890315 /nfs/dbraw/zinc/89/03/15/583890315.db2.gz CNEBXGAZBSXGQT-JGPRNRPPSA-N 2 0 290.383 -0.543 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC2CC2)C[C@H]1C[NH+](C)C ZINC000866041350 583915042 /nfs/dbraw/zinc/91/50/42/583915042.db2.gz RZIQDPFEZKDOPE-VXGBXAGGSA-N 2 0 296.415 -0.537 20 0 CBADRP Cn1nnnc1CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000866661211 583926200 /nfs/dbraw/zinc/92/62/00/583926200.db2.gz QFIKGPYJUSCNME-DCAQKATOSA-N 2 0 250.350 -0.188 20 0 CBADRP C[N@H+](CCc1ccc(C(N)=O)cc1)C[C@H](O)C[NH3+] ZINC000866666973 583926602 /nfs/dbraw/zinc/92/66/02/583926602.db2.gz YDWWMXGANZHHKA-GFCCVEGCSA-N 2 0 251.330 -0.421 20 0 CBADRP CN1C(=O)[C@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)C[C@H]2C1=O ZINC000866702170 583927843 /nfs/dbraw/zinc/92/78/43/583927843.db2.gz WLXFVRBMYRRPOS-SDDRHHMPSA-N 2 0 265.357 -0.077 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000866711470 583928075 /nfs/dbraw/zinc/92/80/75/583928075.db2.gz LIUCQOIXWBJLGE-YIYPIFLZSA-N 3 0 294.399 -0.147 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC000866708172 583928101 /nfs/dbraw/zinc/92/81/01/583928101.db2.gz DCDWEKNLFHJSSB-ZDEQEGDKSA-N 2 0 281.356 -0.110 20 0 CBADRP COCCOCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710845 583928105 /nfs/dbraw/zinc/92/81/05/583928105.db2.gz WMIIBSJZHHVEOW-XQQFMLRXSA-N 2 0 299.371 -0.484 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000866709149 583928150 /nfs/dbraw/zinc/92/81/50/583928150.db2.gz QNOATRIRAPONGB-RFQIPJPRSA-N 2 0 294.399 -0.147 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000866767749 583931810 /nfs/dbraw/zinc/93/18/10/583931810.db2.gz GHYVTRCHSZPGGU-UWVGGRQHSA-N 2 0 279.406 -0.732 20 0 CBADRP CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000866769859 583931920 /nfs/dbraw/zinc/93/19/20/583931920.db2.gz PXLYYBRBKWVVPT-WDEREUQCSA-N 2 0 291.417 -0.718 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000866772473 583932222 /nfs/dbraw/zinc/93/22/22/583932222.db2.gz UEZQCSCKJINEHY-RYUDHWBXSA-N 2 0 289.401 -0.868 20 0 CBADRP C[C@@H]([NH3+])CN(C)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000866781923 583932647 /nfs/dbraw/zinc/93/26/47/583932647.db2.gz VMOMUCIXFUKFTJ-SECBINFHSA-N 2 0 264.395 -0.806 20 0 CBADRP C[C@@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000866809353 583933660 /nfs/dbraw/zinc/93/36/60/583933660.db2.gz INESTQFNNFZXTM-PWSUYJOCSA-N 2 0 291.417 -0.718 20 0 CBADRP C[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)C1CC[NH2+]CC1 ZINC000868006931 583968915 /nfs/dbraw/zinc/96/89/15/583968915.db2.gz ZYZVDFPYKAEWEU-PWSUYJOCSA-N 2 0 255.362 -0.131 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC[C@H]21 ZINC000868387147 583976711 /nfs/dbraw/zinc/97/67/11/583976711.db2.gz PXWCOQAAFOBMBG-IJLUTSLNSA-N 2 0 280.372 -0.901 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC[NH2+]1 ZINC000868389231 583976850 /nfs/dbraw/zinc/97/68/50/583976850.db2.gz NZZQZHDQEQXGFM-XQQFMLRXSA-N 2 0 294.399 -0.641 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC[NH2+]1 ZINC000868389201 583976886 /nfs/dbraw/zinc/97/68/86/583976886.db2.gz NZZQZHDQEQXGFM-AGIUHOORSA-N 2 0 294.399 -0.641 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC[C@H]21 ZINC000868390783 583977062 /nfs/dbraw/zinc/97/70/62/583977062.db2.gz PXWCOQAAFOBMBG-SDDRHHMPSA-N 2 0 280.372 -0.901 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868390623 583977077 /nfs/dbraw/zinc/97/70/77/583977077.db2.gz NWIBLFYAZFOZNM-RYUDHWBXSA-N 2 0 282.388 -0.783 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868396188 583977231 /nfs/dbraw/zinc/97/72/31/583977231.db2.gz ILODLKNNKDVRPC-SDDRHHMPSA-N 2 0 282.388 -0.655 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CCC1(C)C ZINC000868406161 583977884 /nfs/dbraw/zinc/97/78/84/583977884.db2.gz MDPQEZDDDFWJHL-GFCCVEGCSA-N 2 0 296.415 -0.121 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868411666 583978194 /nfs/dbraw/zinc/97/81/94/583978194.db2.gz ZRJTZFXLASSAHG-NEPJUHHUSA-N 2 0 296.415 -0.265 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868411669 583978316 /nfs/dbraw/zinc/97/83/16/583978316.db2.gz ZRJTZFXLASSAHG-VXGBXAGGSA-N 2 0 296.415 -0.265 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868421461 583979148 /nfs/dbraw/zinc/97/91/48/583979148.db2.gz LNMTYHBEXDIKCQ-RYUDHWBXSA-N 2 0 282.388 -0.641 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000869777556 584004075 /nfs/dbraw/zinc/00/40/75/584004075.db2.gz QITWVELIRUMFAC-NEPJUHHUSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CCO1 ZINC000870938748 584022358 /nfs/dbraw/zinc/02/23/58/584022358.db2.gz VCSOVRNQPVMUBA-UGCHFJIKSA-N 2 0 253.346 -0.312 20 0 CBADRP O=C(CCC12CC(C1)C[NH2+]2)NC[C@H]1C[NH2+]CCO1 ZINC000870947248 584022793 /nfs/dbraw/zinc/02/27/93/584022793.db2.gz YGFHGJVJPBLVFP-QWKFWESOSA-N 2 0 253.346 -0.377 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000870965270 584023519 /nfs/dbraw/zinc/02/35/19/584023519.db2.gz NKFJVAOWIHFESZ-LPEHRKFASA-N 2 0 263.345 -0.046 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3C[NH2+]CCO3)CC[C@@H]21 ZINC000870980634 584023791 /nfs/dbraw/zinc/02/37/91/584023791.db2.gz AAHUJWKTDVPIIU-SDDRHHMPSA-N 2 0 253.346 -0.473 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870980905 584023881 /nfs/dbraw/zinc/02/38/81/584023881.db2.gz DSHGDHRCOLVZLF-NEPJUHHUSA-N 2 0 255.362 -0.225 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC[C@H]21 ZINC000870981752 584023960 /nfs/dbraw/zinc/02/39/60/584023960.db2.gz JWZADYYIIRYYDU-COMQUAJESA-N 2 0 279.384 -0.225 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3C[NH2+]CCO3)CC[C@H]21 ZINC000870981244 584023972 /nfs/dbraw/zinc/02/39/72/584023972.db2.gz GTMYURWLSKUALF-FRRDWIJNSA-N 2 0 267.373 -0.083 20 0 CBADRP CC(C)[NH2+]CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870998284 584024697 /nfs/dbraw/zinc/02/46/97/584024697.db2.gz WLQHZLOVLZAOJP-UTUOFQBUSA-N 2 0 296.371 -0.622 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCN(C)c2ncccc2C1 ZINC000871021432 584025177 /nfs/dbraw/zinc/02/51/77/584025177.db2.gz RWSXPDYVDRWILG-NSHDSACASA-N 2 0 264.329 -0.166 20 0 CBADRP O=C(CCN1CCO[C@H](C(F)F)C1)N1CC[NH2+]CC1 ZINC000872146023 584047935 /nfs/dbraw/zinc/04/79/35/584047935.db2.gz CDYIBPVWEPKEEK-JTQLQIEISA-N 2 0 277.315 -0.226 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000872219207 584051217 /nfs/dbraw/zinc/05/12/17/584051217.db2.gz DHSJISOJIYBHSV-RWHKXBQASA-N 2 0 295.427 -0.392 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC000872242421 584052058 /nfs/dbraw/zinc/05/20/58/584052058.db2.gz DFUVSYIMBLFKNH-ZIAGYGMSSA-N 2 0 285.432 -0.001 20 0 CBADRP COC[C@]1(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C[NH2+]CCO1 ZINC000872263894 584052583 /nfs/dbraw/zinc/05/25/83/584052583.db2.gz VCKADUXUAMEUCP-ZNMIVQPWSA-N 2 0 297.399 -0.551 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872289738 584054402 /nfs/dbraw/zinc/05/44/02/584054402.db2.gz BJGQPUNBIZVLGS-ZHPDPMBESA-N 2 0 281.356 -0.523 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]CCC1(C)C ZINC000872296885 584054857 /nfs/dbraw/zinc/05/48/57/584054857.db2.gz ANZBMCSTAXPQBR-SNVBAGLBSA-N 2 0 271.361 -0.133 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000872304793 584055017 /nfs/dbraw/zinc/05/50/17/584055017.db2.gz NZVWMGSYBJPVNC-NGDQXYMTSA-N 2 0 294.355 -0.883 20 0 CBADRP C[C@@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[NH+](C)C ZINC000872303551 584055019 /nfs/dbraw/zinc/05/50/19/584055019.db2.gz KNTSIEMDNCSLQC-YFKTTZPYSA-N 2 0 296.371 -0.670 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000873248366 584069196 /nfs/dbraw/zinc/06/91/96/584069196.db2.gz DPRTVZJAOHXFBX-UMNHJUIQSA-N 2 0 257.334 -0.077 20 0 CBADRP O=C1COC[C@@]2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)COCCN12 ZINC000873264624 584069597 /nfs/dbraw/zinc/06/95/97/584069597.db2.gz DAEUSSPKXIBYCP-RLCAUIQDSA-N 2 0 295.383 -0.513 20 0 CBADRP COC[C@@]1(C(=O)NCC2([NH3+])CCCCC2)C[NH2+]CCO1 ZINC000876505062 584130019 /nfs/dbraw/zinc/13/00/19/584130019.db2.gz JRKJSQPDYRYGAX-CQSZACIVSA-N 2 0 285.388 -0.231 20 0 CBADRP CC[NH2+]CCCNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000876509200 584130103 /nfs/dbraw/zinc/13/01/03/584130103.db2.gz CDRJEGKWJLMHBF-GFCCVEGCSA-N 2 0 259.350 -0.893 20 0 CBADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCC(=O)N1CC[NH2+]CC1 ZINC000876511550 584130293 /nfs/dbraw/zinc/13/02/93/584130293.db2.gz MCTLSCOYHWTESC-PCAWENJQSA-N 2 0 280.372 -0.910 20 0 CBADRP O=C(CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)N1CC[NH2+]CC1 ZINC000876512316 584130466 /nfs/dbraw/zinc/13/04/66/584130466.db2.gz LKHANLCGRWFFKA-RISCZKNCSA-N 2 0 280.372 -0.933 20 0 CBADRP COC[C@]1(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)C[NH2+]CCO1 ZINC000876516074 584130694 /nfs/dbraw/zinc/13/06/94/584130694.db2.gz KCKBTNQWMDGAGI-BZPMIXESSA-N 2 0 285.388 -0.504 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)[C@]2(COC)C[NH2+]CCO2)C1 ZINC000876520815 584130831 /nfs/dbraw/zinc/13/08/31/584130831.db2.gz YCVFHFNVWJSPOJ-WCQYABFASA-N 2 0 271.361 -0.798 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@]2(COC)C[NH2+]CCO2)C1 ZINC000876520814 584130869 /nfs/dbraw/zinc/13/08/69/584130869.db2.gz YCVFHFNVWJSPOJ-DGCLKSJQSA-N 2 0 271.361 -0.798 20 0 CBADRP COC[C@@]1(C(=O)N2CCC([C@H](C)[NH3+])CC2)C[NH2+]CCO1 ZINC000876522895 584131134 /nfs/dbraw/zinc/13/11/34/584131134.db2.gz FXESSCZRHXKSST-SMDDNHRTSA-N 2 0 285.388 -0.423 20 0 CBADRP CN1CCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000876542066 584132526 /nfs/dbraw/zinc/13/25/26/584132526.db2.gz LAMZSFPQDWFQBU-HBNTYKKESA-N 2 0 258.341 -0.965 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)CCO1 ZINC000876544457 584133024 /nfs/dbraw/zinc/13/30/24/584133024.db2.gz UJCNVCGRXQMJHO-ZRUFSTJUSA-N 2 0 255.362 -0.066 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876713850 584140531 /nfs/dbraw/zinc/14/05/31/584140531.db2.gz UKMHPZNRWMONCD-STQMWFEESA-N 2 0 286.420 -0.652 20 0 CBADRP COC[C@@]1(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C[NH2+]CCO1 ZINC000876723175 584140974 /nfs/dbraw/zinc/14/09/74/584140974.db2.gz ORPMLUUUWVUIDE-UKRRQHHQSA-N 2 0 299.415 -0.161 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000876726848 584141455 /nfs/dbraw/zinc/14/14/55/584141455.db2.gz ANAGZAKTVWYVQV-IUODEOHRSA-N 2 0 297.399 -0.408 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[NH2+]CCO1 ZINC000876726843 584141462 /nfs/dbraw/zinc/14/14/62/584141462.db2.gz ALBGRVUAJGCLKU-NFAWXSAZSA-N 2 0 297.399 -0.266 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000876743674 584141598 /nfs/dbraw/zinc/14/15/98/584141598.db2.gz HHHVDRZUUARRLO-COMQUAJESA-N 2 0 297.399 -0.267 20 0 CBADRP COC[C@]1(C(=O)NC[C@H](C2CC2)[NH+](C)C)C[NH2+]CCO1 ZINC000876731707 584141636 /nfs/dbraw/zinc/14/16/36/584141636.db2.gz SVSGEKKRWMUQOK-OCCSQVGLSA-N 2 0 285.388 -0.552 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000876743676 584141698 /nfs/dbraw/zinc/14/16/98/584141698.db2.gz HHHVDRZUUARRLO-OSFYFWSMSA-N 2 0 297.399 -0.267 20 0 CBADRP COC[C@@]1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[NH2+]CCO1 ZINC000876750750 584142398 /nfs/dbraw/zinc/14/23/98/584142398.db2.gz SBRIRURVTBAIOV-UKRRQHHQSA-N 2 0 297.399 -0.312 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[NH2+]CCO1 ZINC000876754036 584142435 /nfs/dbraw/zinc/14/24/35/584142435.db2.gz LVRYDKNEOCHPHB-HIFRSBDPSA-N 2 0 297.399 -0.408 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000876754142 584142858 /nfs/dbraw/zinc/14/28/58/584142858.db2.gz PTAYZOSJFQHQGQ-IJLUTSLNSA-N 2 0 255.362 -0.219 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000876771153 584143624 /nfs/dbraw/zinc/14/36/24/584143624.db2.gz NNZHDNPYKWODED-STQMWFEESA-N 2 0 268.405 -0.180 20 0 CBADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)C[NH+](C)C)CC[N@@H+]1C ZINC000876772700 584143688 /nfs/dbraw/zinc/14/36/88/584143688.db2.gz RAOXUJABDSDGCN-UTUOFQBUSA-N 2 0 256.394 -0.184 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876775461 584143771 /nfs/dbraw/zinc/14/37/71/584143771.db2.gz WFZOVBHYPTVZKM-RYUDHWBXSA-N 2 0 256.394 -0.325 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(COC)C[NH2+]CCO2)C1 ZINC000876775100 584143844 /nfs/dbraw/zinc/14/38/44/584143844.db2.gz OHPQCTZGUCXBFO-ZFWWWQNUSA-N 2 0 299.415 -0.208 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000876782519 584144164 /nfs/dbraw/zinc/14/41/64/584144164.db2.gz QLDYHLNCVRDLKT-ADEWGFFLSA-N 2 0 254.378 -0.526 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876782651 584144166 /nfs/dbraw/zinc/14/41/66/584144166.db2.gz YBDHTMOIIYIZIK-STQMWFEESA-N 2 0 285.436 -0.983 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)N1CC[NH+](C)CC1 ZINC000876781330 584144195 /nfs/dbraw/zinc/14/41/95/584144195.db2.gz GEHNMBSNIIHINZ-DCAQKATOSA-N 2 0 290.358 -0.422 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000876780139 584144238 /nfs/dbraw/zinc/14/42/38/584144238.db2.gz DRSTXXLHVLMMAD-HUBLWGQQSA-N 2 0 297.399 -0.267 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000876786865 584144529 /nfs/dbraw/zinc/14/45/29/584144529.db2.gz QDXNCQDJHHXHGE-QWHCGFSZSA-N 2 0 268.405 -0.134 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000876787554 584144537 /nfs/dbraw/zinc/14/45/37/584144537.db2.gz VEVJMRDMNABVMQ-AVGNSLFASA-N 2 0 268.405 -0.134 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876784083 584144611 /nfs/dbraw/zinc/14/46/11/584144611.db2.gz WKRISQISEIZFQB-BUHQSOCUSA-N 2 0 280.416 -0.096 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000876784122 584144617 /nfs/dbraw/zinc/14/46/17/584144617.db2.gz XVQYRJQPLLBCQG-TUCADOHPSA-N 2 0 280.416 -0.240 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000876784120 584144674 /nfs/dbraw/zinc/14/46/74/584144674.db2.gz XVQYRJQPLLBCQG-RVFNEKRJSA-N 2 0 280.416 -0.240 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[NH2+]CCOC ZINC000876792885 584145057 /nfs/dbraw/zinc/14/50/57/584145057.db2.gz XRSFGVPIVKVPRJ-BLDJZWNYSA-N 2 0 255.362 -0.250 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000876799610 584145603 /nfs/dbraw/zinc/14/56/03/584145603.db2.gz IHIPEHKBYDMRSL-YFKTTZPYSA-N 2 0 254.378 -0.539 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)CCO1 ZINC000876807588 584147201 /nfs/dbraw/zinc/14/72/01/584147201.db2.gz HBBYAUMJLLKANB-OPVGQWETSA-N 2 0 253.346 -0.272 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C[NH2+]CCO1 ZINC000876828678 584147703 /nfs/dbraw/zinc/14/77/03/584147703.db2.gz DWMPGIYEMADMAL-WZRBSPASSA-N 2 0 271.361 -0.623 20 0 CBADRP COC[C@@]1(C(=O)N[C@H]2CCC[NH2+]CC2)C[NH2+]CCO1 ZINC000876826307 584147716 /nfs/dbraw/zinc/14/77/16/584147716.db2.gz OMKJTVUJTQSGTD-WCQYABFASA-N 2 0 271.361 -0.750 20 0 CBADRP COC[C@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[NH2+]CCO1 ZINC000876827624 584147754 /nfs/dbraw/zinc/14/77/54/584147754.db2.gz UVWDKNHGQPJSTM-SCRDCRAPSA-N 2 0 283.372 -0.656 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)C[NH2+]CCO1 ZINC000876833239 584148232 /nfs/dbraw/zinc/14/82/32/584148232.db2.gz HCYQNWGZZJAYBC-MDZLAQPJSA-N 2 0 271.361 -0.752 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876849214 584149423 /nfs/dbraw/zinc/14/94/23/584149423.db2.gz QYSXAWOGHZWYJL-YIZRAAEISA-N 2 0 291.298 -0.810 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000876847922 584149426 /nfs/dbraw/zinc/14/94/26/584149426.db2.gz OIODUIIORBKQPO-UPPHIEQOSA-N 2 0 292.427 -0.096 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876848604 584149458 /nfs/dbraw/zinc/14/94/58/584149458.db2.gz LKGKSJSPVSHSOL-GARJFASQSA-N 2 0 283.372 -0.277 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000876847862 584149482 /nfs/dbraw/zinc/14/94/82/584149482.db2.gz MPDOKUVTBSPSRG-IJLUTSLNSA-N 2 0 283.372 -0.133 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H]2CC23CC[NH2+]CC3)C[NH2+]CCO1 ZINC000876855272 584150182 /nfs/dbraw/zinc/15/01/82/584150182.db2.gz QCYGHZOXCOHVAO-BXUZGUMPSA-N 2 0 283.372 -0.750 20 0 CBADRP COC[C@]1(C(=O)N[C@@H](CC[NH3+])C(F)F)C[NH2+]CCO1 ZINC000876863688 584150771 /nfs/dbraw/zinc/15/07/71/584150771.db2.gz JDXAWFJXPCWNIB-KWQFWETISA-N 2 0 281.303 -0.910 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000876869764 584151614 /nfs/dbraw/zinc/15/16/14/584151614.db2.gz HLSQZBSBPPMKPN-GARJFASQSA-N 2 0 255.362 -0.146 20 0 CBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H](N)C[NH+](C)C ZINC000876875954 584152207 /nfs/dbraw/zinc/15/22/07/584152207.db2.gz FZYXCDWHRWWAGX-STQMWFEESA-N 2 0 286.420 -0.556 20 0 CBADRP COC[C@@]1(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)C[NH2+]CCO1 ZINC000876885090 584153077 /nfs/dbraw/zinc/15/30/77/584153077.db2.gz USLNLHKZWGSVNX-UKRRQHHQSA-N 2 0 299.415 -0.066 20 0 CBADRP COC[C@]1(C(=O)N2CCC[C@H]([NH+](C)C)CC2)C[NH2+]CCO1 ZINC000876885091 584153136 /nfs/dbraw/zinc/15/31/36/584153136.db2.gz USLNLHKZWGSVNX-ZFWWWQNUSA-N 2 0 299.415 -0.066 20 0 CBADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876886637 584153355 /nfs/dbraw/zinc/15/33/55/584153355.db2.gz WKVSODWJNFCXAH-NWDGAFQWSA-N 2 0 256.394 -0.326 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000876918716 584155540 /nfs/dbraw/zinc/15/55/40/584155540.db2.gz MHDASXKRJSVFFC-GARJFASQSA-N 2 0 255.362 -0.064 20 0 CBADRP C[C@@H]1C[C@@H](C)N(C(=O)[C@@H](N)C[NH+](C)C)C[C@H]1C[NH3+] ZINC000876927851 584156194 /nfs/dbraw/zinc/15/61/94/584156194.db2.gz NIWGAUAKVPWCNA-KKOKHZNYSA-N 2 0 256.394 -0.293 20 0 CBADRP C[C@@H]1C[C@H](C)N(C(=O)[C@@H](N)C[NH+](C)C)C[C@@H]1C[NH3+] ZINC000876927853 584156225 /nfs/dbraw/zinc/15/62/25/584156225.db2.gz NIWGAUAKVPWCNA-RHYQMDGZSA-N 2 0 256.394 -0.293 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000876925561 584156246 /nfs/dbraw/zinc/15/62/46/584156246.db2.gz LHUQYICFNCOYST-NEPJUHHUSA-N 2 0 262.357 -0.208 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000876939170 584157019 /nfs/dbraw/zinc/15/70/19/584157019.db2.gz TVLNXENKNBQTHL-LBPRGKRZSA-N 2 0 250.346 -0.350 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876972906 584159135 /nfs/dbraw/zinc/15/91/35/584159135.db2.gz SBPPDZIUCRVLPK-XQQFMLRXSA-N 2 0 284.379 -0.560 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876972904 584159192 /nfs/dbraw/zinc/15/91/92/584159192.db2.gz SBPPDZIUCRVLPK-JHJVBQTASA-N 2 0 284.379 -0.560 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CC[NH2+]CC1CC1 ZINC000876999268 584160407 /nfs/dbraw/zinc/16/04/07/584160407.db2.gz CJBRVENASHSHBW-ZDUSSCGKSA-N 2 0 296.415 -0.168 20 0 CBADRP CC1(C)[C@H](C(=O)NCC2([NH3+])CCOCC2)C[C@@H]1[NH3+] ZINC000877014644 584161717 /nfs/dbraw/zinc/16/17/17/584161717.db2.gz KQIOWZDALWQGOC-UWVGGRQHSA-N 2 0 255.362 -0.016 20 0 CBADRP C[NH2+]CCOCCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000877025240 584162171 /nfs/dbraw/zinc/16/21/71/584162171.db2.gz DOYXCHVHUDNXQW-UHFFFAOYSA-N 2 0 267.333 -0.979 20 0 CBADRP O=C(CCC12CC(C1)C[NH2+]2)NC[C@H]1COCC[NH2+]1 ZINC000877038092 584162981 /nfs/dbraw/zinc/16/29/81/584162981.db2.gz HJAHUSRURNBBNL-AKJDGMEZSA-N 2 0 253.346 -0.377 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C[NH2+]1 ZINC000877052937 584164257 /nfs/dbraw/zinc/16/42/57/584164257.db2.gz YSTIYZPXVIVANY-RKDXNWHRSA-N 2 0 263.345 -0.074 20 0 CBADRP CN(CCOCC[NH3+])C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000877056433 584164406 /nfs/dbraw/zinc/16/44/06/584164406.db2.gz LOOISFKQMIVLFH-ITKZLYELSA-N 2 0 255.362 -0.024 20 0 CBADRP CN(CCOCC[NH3+])C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000877056436 584164409 /nfs/dbraw/zinc/16/44/09/584164409.db2.gz LOOISFKQMIVLFH-ZYOFXKKJSA-N 2 0 255.362 -0.024 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000877107993 584166534 /nfs/dbraw/zinc/16/65/34/584166534.db2.gz NUELWWFJIBPGBE-SNVBAGLBSA-N 2 0 253.350 -0.136 20 0 CBADRP CC1(C)CC[C@H](CNC(=O)[C@@H]2C[NH2+]CCO2)[NH2+]C1 ZINC000877158844 584168469 /nfs/dbraw/zinc/16/84/69/584168469.db2.gz ZLQSEGOZGIZYAR-MNOVXSKESA-N 2 0 255.362 -0.131 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[NH2+]CC3)CC[C@@H]21 ZINC000877248577 584172364 /nfs/dbraw/zinc/17/23/64/584172364.db2.gz BQXAYBQIZHPFBV-OLZOCXBDSA-N 2 0 266.389 -0.556 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877250959 584172697 /nfs/dbraw/zinc/17/26/97/584172697.db2.gz UZRGNTNTUSPQKW-SDDRHHMPSA-N 2 0 254.378 -0.572 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3[NH3+])CC[C@H]21 ZINC000877251117 584172966 /nfs/dbraw/zinc/17/29/66/584172966.db2.gz YOSYHDGZOOWJQG-WRWGMCAJSA-N 2 0 253.346 -0.345 20 0 CBADRP CC(C)[C@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC000877251287 584172990 /nfs/dbraw/zinc/17/29/90/584172990.db2.gz LUSUKCQSFTYMDE-CMPLNLGQSA-N 2 0 268.361 -0.111 20 0 CBADRP COC[C@]1(C(=O)N[C@@H](C)C2CC[NH2+]CC2)C[NH2+]CCO1 ZINC000877252888 584173238 /nfs/dbraw/zinc/17/32/38/584173238.db2.gz APVDUVFEPQCVDM-FZMZJTMJSA-N 2 0 285.388 -0.504 20 0 CBADRP C[C@H](NC(=O)[C@@]1(C)C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000877254601 584173428 /nfs/dbraw/zinc/17/34/28/584173428.db2.gz YFXCCVABXUTJRS-GXFFZTMASA-N 2 0 255.362 -0.131 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000877253435 584173433 /nfs/dbraw/zinc/17/34/33/584173433.db2.gz XQAJIMFFAYAPPM-MFKMUULPSA-N 2 0 284.404 -0.410 20 0 CBADRP C[C@H](NC(=O)CN1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000877253715 584173439 /nfs/dbraw/zinc/17/34/39/584173439.db2.gz FNFUXSHTRADNAH-NSHDSACASA-N 2 0 254.378 -0.604 20 0 CBADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1C[NH2+]CCO1 ZINC000877330836 584178765 /nfs/dbraw/zinc/17/87/65/584178765.db2.gz HRDFYMFHMVMJEQ-VXGBXAGGSA-N 2 0 283.372 -0.750 20 0 CBADRP CC[NH2+]CC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877336536 584179096 /nfs/dbraw/zinc/17/90/96/584179096.db2.gz KIAFJHCYRMMFNM-NSHDSACASA-N 2 0 255.362 -0.129 20 0 CBADRP CC[C@H]([NH3+])C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877339159 584179173 /nfs/dbraw/zinc/17/91/73/584179173.db2.gz TVTAXFRTNDAFFN-MNOVXSKESA-N 2 0 255.362 -0.001 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877361221 584179582 /nfs/dbraw/zinc/17/95/82/584179582.db2.gz RQZNODTYIAAQIE-XHNCKOQMSA-N 2 0 283.294 -0.054 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1CCO[C@@H]1C[NH3+])C2 ZINC000877372843 584179952 /nfs/dbraw/zinc/17/99/52/584179952.db2.gz QFEFLPULXILGAP-SBFPOUOMSA-N 2 0 253.346 -0.582 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877373888 584180104 /nfs/dbraw/zinc/18/01/04/584180104.db2.gz NUUBAMQODHMWNO-OPQQBVKSSA-N 2 0 269.345 -0.665 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877390095 584180563 /nfs/dbraw/zinc/18/05/63/584180563.db2.gz HUROBEAVRCJPCB-KWBADKCTSA-N 2 0 269.345 -0.332 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000877451531 584182231 /nfs/dbraw/zinc/18/22/31/584182231.db2.gz QJRXJUWDGZOOSH-DYEKYZERSA-N 2 0 296.415 -0.219 20 0 CBADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[NH2+]CCO1 ZINC000877451527 584182307 /nfs/dbraw/zinc/18/23/07/584182307.db2.gz QDHVKCXCVVUIOK-SDDRHHMPSA-N 2 0 253.346 -0.330 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)C[NH2+]CCO1 ZINC000877451451 584182461 /nfs/dbraw/zinc/18/24/61/584182461.db2.gz MLQXUMHYSUDQCY-IPYPFGDCSA-N 2 0 297.399 -0.314 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000877451594 584182669 /nfs/dbraw/zinc/18/26/69/584182669.db2.gz RTMCRSAWKQRAKN-SRVKXCTJSA-N 2 0 283.372 -0.038 20 0 CBADRP COCC[C@@]1([NH2+]CC(=O)NC2CC[NH+](C)CC2)CCOC1 ZINC000878520197 584206631 /nfs/dbraw/zinc/20/66/31/584206631.db2.gz DCRZTTAXVKWWDF-OAHLLOKOSA-N 2 0 299.415 -0.018 20 0 CBADRP COCC[N@@H+](CC(=O)NC(N)=O)CC1CC[NH+](C)CC1 ZINC000879121875 584227106 /nfs/dbraw/zinc/22/71/06/584227106.db2.gz HKTDIOLCNAMJQP-UHFFFAOYSA-N 2 0 286.376 -0.529 20 0 CBADRP CO[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)[C@](C)(CO)C1 ZINC000879261448 584230922 /nfs/dbraw/zinc/23/09/22/584230922.db2.gz KMRDAZHRJZEZAT-HIFRSBDPSA-N 2 0 299.415 -0.332 20 0 CBADRP C[N@@H+]1CC[C@H]2C[NH+](CCCC(=O)NC(N)=O)CC[C@H]21 ZINC000879574009 584241831 /nfs/dbraw/zinc/24/18/31/584241831.db2.gz VQGTUMWRXQQLHL-WDEREUQCSA-N 2 0 268.361 -0.013 20 0 CBADRP C[N@@H+]1CC[C@H]2C[NH+](CCCC(=O)NC(N)=O)CC[C@@H]21 ZINC000879574008 584242014 /nfs/dbraw/zinc/24/20/14/584242014.db2.gz VQGTUMWRXQQLHL-QWRGUYRKSA-N 2 0 268.361 -0.013 20 0 CBADRP CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H]2CCC[NH+]2C[C@@H]1CO ZINC000880073134 584261353 /nfs/dbraw/zinc/26/13/53/584261353.db2.gz SYKFLKFHQVJHSS-ZNMIVQPWSA-N 2 0 285.432 -0.172 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000882488583 584319100 /nfs/dbraw/zinc/31/91/00/584319100.db2.gz GQIQJOCMBWGRBV-OLZOCXBDSA-N 2 0 266.389 -0.413 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000883385210 584340807 /nfs/dbraw/zinc/34/08/07/584340807.db2.gz HKVGQAHLHJASKJ-CHWSQXEVSA-N 2 0 283.420 -0.374 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000883473716 584343804 /nfs/dbraw/zinc/34/38/04/584343804.db2.gz JYBZPJJKSBQMAH-NEPJUHHUSA-N 2 0 291.417 -0.622 20 0 CBADRP [NH3+][C@H](CC1CC1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000884006500 584355418 /nfs/dbraw/zinc/35/54/18/584355418.db2.gz SUYPOEVXRQGSGO-GFCCVEGCSA-N 2 0 254.378 -0.475 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884008956 584355449 /nfs/dbraw/zinc/35/54/49/584355449.db2.gz HAWUALDDYZPEIV-CYBMUJFWSA-N 2 0 289.383 -0.075 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884027327 584356441 /nfs/dbraw/zinc/35/64/41/584356441.db2.gz ZAKAMHMEXMTRBT-GFCCVEGCSA-N 2 0 268.405 -0.404 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884027804 584356454 /nfs/dbraw/zinc/35/64/54/584356454.db2.gz NSGKLNCCNYJHHX-LBPRGKRZSA-N 2 0 254.378 -0.523 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)[C@H](C[NH3+])C1 ZINC000884042056 584357237 /nfs/dbraw/zinc/35/72/37/584357237.db2.gz PACLUCAXMMAICB-MNOVXSKESA-N 2 0 254.378 -0.667 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC2(C)C)CCO1 ZINC000884042462 584357247 /nfs/dbraw/zinc/35/72/47/584357247.db2.gz AKEVEOZVIVPMFN-AXFHLTTASA-N 2 0 255.362 -0.193 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000884211867 584367268 /nfs/dbraw/zinc/36/72/68/584367268.db2.gz PZWPYDODYBGTLJ-RWMBFGLXSA-N 2 0 285.388 -0.592 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000884213163 584367842 /nfs/dbraw/zinc/36/78/42/584367842.db2.gz UXZBEYMQQDAZKQ-RYUDHWBXSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884235108 584369225 /nfs/dbraw/zinc/36/92/25/584369225.db2.gz MJDWULUFRQLKIP-STQMWFEESA-N 2 0 282.432 -0.016 20 0 CBADRP C[C@H](CNC(=O)[C@@H]([NH3+])CC1CC1)N1CC[NH+](C)CC1 ZINC000884235550 584369328 /nfs/dbraw/zinc/36/93/28/584369328.db2.gz YFCPOMMTWHWMQB-YPMHNXCESA-N 2 0 268.405 -0.134 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000884289832 584372431 /nfs/dbraw/zinc/37/24/31/584372431.db2.gz KVXYTIDDDIXOOS-OLZOCXBDSA-N 2 0 280.416 -0.262 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000884301814 584372809 /nfs/dbraw/zinc/37/28/09/584372809.db2.gz CYKKJHPFWXRLMY-WDEREUQCSA-N 2 0 255.362 -0.273 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000884308832 584373050 /nfs/dbraw/zinc/37/30/50/584373050.db2.gz FBOLKDDCEBPSBW-CHWSQXEVSA-N 2 0 287.404 -0.081 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)N(CCOC)CC[NH+](C)C ZINC000884310114 584373449 /nfs/dbraw/zinc/37/34/49/584373449.db2.gz ORQVALWVGNNWDJ-LLVKDONJSA-N 2 0 261.366 -0.613 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000884316175 584373593 /nfs/dbraw/zinc/37/35/93/584373593.db2.gz LOUMVFYLQIESON-SRVKXCTJSA-N 2 0 255.362 -0.097 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)CC[NH2+]C1 ZINC000884360523 584376541 /nfs/dbraw/zinc/37/65/41/584376541.db2.gz BHOFNAHUQJSDOG-NRUUGDAUSA-N 2 0 255.362 -0.146 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000884363858 584376726 /nfs/dbraw/zinc/37/67/26/584376726.db2.gz JYMBYQAGANRXKW-YVNDNENWSA-N 2 0 255.362 -0.005 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3C[NH2+]CC3(C)C)C[C@H]2[NH3+])cn1 ZINC000884371670 584377282 /nfs/dbraw/zinc/37/72/82/584377282.db2.gz TZBSGWOZTPOQBJ-YNEHKIRRSA-N 2 0 291.399 -0.081 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000884393145 584378602 /nfs/dbraw/zinc/37/86/02/584378602.db2.gz VVVSCEQQZNWFDO-OLZOCXBDSA-N 2 0 285.388 -0.327 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884469655 584383445 /nfs/dbraw/zinc/38/34/45/584383445.db2.gz QPBXQALAZXYPMP-BJHJDKERSA-N 2 0 289.383 -0.042 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000884491511 584385008 /nfs/dbraw/zinc/38/50/08/584385008.db2.gz XCGISOZUNQKOOQ-CYDGBPFRSA-N 2 0 294.399 -0.452 20 0 CBADRP CCN(C(=O)C(=O)NCC1([NH+](C)C)CCC1)[C@@H]1CC[NH2+]C1 ZINC000884529851 584386896 /nfs/dbraw/zinc/38/68/96/584386896.db2.gz XTYMJXPEIUBXDH-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000884555053 584387800 /nfs/dbraw/zinc/38/78/00/584387800.db2.gz JWDJVUVABAXPJR-JQWIXIFHSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000884554385 584387835 /nfs/dbraw/zinc/38/78/35/584387835.db2.gz SGKDNFLTVJMFTJ-WDEREUQCSA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000884555055 584387866 /nfs/dbraw/zinc/38/78/66/584387866.db2.gz JWDJVUVABAXPJR-ZYHUDNBSSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884554374 584387890 /nfs/dbraw/zinc/38/78/90/584387890.db2.gz RYJLYVWCCRENMC-XZUYRWCXSA-N 2 0 294.399 -0.467 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])[N@H+](C)C1CC1 ZINC000884618261 584391101 /nfs/dbraw/zinc/39/11/01/584391101.db2.gz ZMODKRUYYMCTSI-SNVBAGLBSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+](C)C1CC1 ZINC000884617817 584391264 /nfs/dbraw/zinc/39/12/64/584391264.db2.gz SRDXUPPZTXEFSU-UTUOFQBUSA-N 2 0 294.399 -0.452 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884626890 584391619 /nfs/dbraw/zinc/39/16/19/584391619.db2.gz YNKLDJFLNVMEBF-JHJVBQTASA-N 2 0 294.399 -0.321 20 0 CBADRP CC(C)([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884626855 584391676 /nfs/dbraw/zinc/39/16/76/584391676.db2.gz XIJUPJJOLVKGPO-NEPJUHHUSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C1=CC[N@H+](C)CC1 ZINC000884623801 584391760 /nfs/dbraw/zinc/39/17/60/584391760.db2.gz PACYOCKNHNFHIT-WCQYABFASA-N 2 0 294.399 -0.297 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884650662 584392494 /nfs/dbraw/zinc/39/24/94/584392494.db2.gz QXPCJCBLLVLPQY-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000884650233 584392536 /nfs/dbraw/zinc/39/25/36/584392536.db2.gz CEJJQXBSAVXKIW-VXGBXAGGSA-N 2 0 284.404 -0.502 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884659283 584393194 /nfs/dbraw/zinc/39/31/94/584393194.db2.gz NICYBXRLVNHSGP-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)C[NH+]1CCCC1 ZINC000884668893 584393668 /nfs/dbraw/zinc/39/36/68/584393668.db2.gz GPKHYCCYHVOEFN-AGIUHOORSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C[NH+]1CCCC1 ZINC000884669323 584393726 /nfs/dbraw/zinc/39/37/26/584393726.db2.gz SJFHFWQBOQTTSO-AVGNSLFASA-N 2 0 294.399 -0.593 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000884670273 584394045 /nfs/dbraw/zinc/39/40/45/584394045.db2.gz UJIWPUCHGMWWNV-UPJWGTAASA-N 2 0 294.399 -0.321 20 0 CBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCC[NH3+] ZINC000884673201 584394205 /nfs/dbraw/zinc/39/42/05/584394205.db2.gz QDHJSHBZXUWESW-NSHDSACASA-N 2 0 291.355 -0.806 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884676515 584394912 /nfs/dbraw/zinc/39/49/12/584394912.db2.gz PAGYAWCLNKHLNA-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000884684821 584395885 /nfs/dbraw/zinc/39/58/85/584395885.db2.gz PXJFTLGBNUHQHT-JTQLQIEISA-N 2 0 270.377 -0.608 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000884686306 584396102 /nfs/dbraw/zinc/39/61/02/584396102.db2.gz DVTDCJIMKCRXRL-UHFFFAOYSA-N 2 0 270.377 -0.735 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC[C@H]21 ZINC000884687946 584396598 /nfs/dbraw/zinc/39/65/98/584396598.db2.gz NWEJECDKXDLMAR-JHJVBQTASA-N 2 0 294.399 -0.593 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC000884692068 584397523 /nfs/dbraw/zinc/39/75/23/584397523.db2.gz FDOKXZAAQMHGIM-XQQFMLRXSA-N 2 0 294.399 -0.593 20 0 CBADRP CN1Cc2ccccc2[C@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000884692975 584397791 /nfs/dbraw/zinc/39/77/91/584397791.db2.gz GSEFJVNCMDOMBS-CYBMUJFWSA-N 2 0 288.351 -0.623 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884704686 584399196 /nfs/dbraw/zinc/39/91/96/584399196.db2.gz PFJVQKYSFISWNM-GMTAPVOTSA-N 2 0 268.361 -0.998 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC[C@H]21 ZINC000884706676 584399543 /nfs/dbraw/zinc/39/95/43/584399543.db2.gz KQMHIJNHBAGJEC-FRRDWIJNSA-N 2 0 294.399 -0.608 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000884775066 584402000 /nfs/dbraw/zinc/40/20/00/584402000.db2.gz XWLUHWCCJAQJCH-NNYUYHANSA-N 2 0 282.388 -0.609 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC[C@H]21 ZINC000884779415 584402236 /nfs/dbraw/zinc/40/22/36/584402236.db2.gz WYXAWPXKWCIXBD-SDDRHHMPSA-N 2 0 280.372 -0.983 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884824063 584403914 /nfs/dbraw/zinc/40/39/14/584403914.db2.gz PPSKZBQGEFPFEI-UMSGYPCISA-N 2 0 294.399 -0.594 20 0 CBADRP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000886571703 584443021 /nfs/dbraw/zinc/44/30/21/584443021.db2.gz FIAPLIKCTPBGDD-YUTCNCBUSA-N 2 0 281.400 -0.101 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)NCC[N@H+](C)CCO)n1 ZINC000887828895 584474833 /nfs/dbraw/zinc/47/48/33/584474833.db2.gz DXFUJFMLLAQCIV-UHFFFAOYSA-N 2 0 298.391 -0.510 20 0 CBADRP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000887923058 584477066 /nfs/dbraw/zinc/47/70/66/584477066.db2.gz LXAZXOOBFCIXST-RJZRQDKASA-N 2 0 281.400 -0.148 20 0 CBADRP CN1CCN(C(=O)Cn2ccnc2)CC[N@H+](C)CC1 ZINC000888983436 584510967 /nfs/dbraw/zinc/51/09/67/584510967.db2.gz BLMKMGDPMKKAEZ-UHFFFAOYSA-N 2 0 265.361 -0.411 20 0 CBADRP CN1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+](C)CC1 ZINC000888983760 584511366 /nfs/dbraw/zinc/51/13/66/584511366.db2.gz OVIUUOAATPAGAY-CYBMUJFWSA-N 2 0 268.405 -0.356 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000889042030 584515634 /nfs/dbraw/zinc/51/56/34/584515634.db2.gz YWVPHQXPKROXKU-RYUDHWBXSA-N 2 0 299.419 -0.302 20 0 CBADRP C[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)[NH+](C)C ZINC000889744157 584534600 /nfs/dbraw/zinc/53/46/00/584534600.db2.gz KPDBETSABZAPMX-AVGNSLFASA-N 2 0 269.389 -0.006 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891492193 584582446 /nfs/dbraw/zinc/58/24/46/584582446.db2.gz GJZMZZYRQFHRSY-GXTWGEPZSA-N 2 0 284.404 -0.185 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891492073 584582495 /nfs/dbraw/zinc/58/24/95/584582495.db2.gz DOMPQSMIZXFWSQ-PHIMTYICSA-N 2 0 258.366 -0.399 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000891514650 584583351 /nfs/dbraw/zinc/58/33/51/584583351.db2.gz WDVKOUHNKADCON-AGIUHOORSA-N 2 0 282.388 -0.018 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000891514717 584583383 /nfs/dbraw/zinc/58/33/83/584583383.db2.gz YEBXPKLSAJFCBO-MROQNXINSA-N 2 0 282.388 -0.019 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891536739 584584298 /nfs/dbraw/zinc/58/42/98/584584298.db2.gz GTHGECNTHRXEBL-XQQFMLRXSA-N 2 0 282.388 -0.147 20 0 CBADRP CN1CCN(C(=O)NC2CC[NH+](C)CC2)CC[N@H+](C)CC1 ZINC000891522699 584584381 /nfs/dbraw/zinc/58/43/81/584584381.db2.gz POMOINKTBAQKFV-UHFFFAOYSA-N 2 0 297.447 -0.031 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891539443 584584884 /nfs/dbraw/zinc/58/48/84/584584884.db2.gz ARPQQDPCBZYARR-IPYPFGDCSA-N 2 0 295.431 -0.184 20 0 CBADRP C[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC000891604220 584587754 /nfs/dbraw/zinc/58/77/54/584587754.db2.gz WLGWMKRLMKCOPU-MCIONIFRSA-N 2 0 297.447 -0.094 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891968121 584595787 /nfs/dbraw/zinc/59/57/87/584595787.db2.gz GFBSAZAEMQNMEF-RYUDHWBXSA-N 2 0 267.377 -0.963 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCC[NH2+]C1CC1)C2 ZINC000891984964 584597134 /nfs/dbraw/zinc/59/71/34/584597134.db2.gz POJBTBJVHVTRIM-GXFFZTMASA-N 2 0 252.362 -0.011 20 0 CBADRP CC[NH2+]CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000891994325 584597753 /nfs/dbraw/zinc/59/77/53/584597753.db2.gz UOQVGQNDKORIQD-ZIAGYGMSSA-N 3 0 299.463 -0.023 20 0 CBADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@H]1CC[NH2+]C1 ZINC000892000933 584598227 /nfs/dbraw/zinc/59/82/27/584598227.db2.gz DERAFYXCRHJLIQ-RYUDHWBXSA-N 2 0 282.388 -0.194 20 0 CBADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N[C@@H]1CC[NH2+]C1 ZINC000892000942 584598294 /nfs/dbraw/zinc/59/82/94/584598294.db2.gz DERAFYXCRHJLIQ-VXGBXAGGSA-N 2 0 282.388 -0.194 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000892004244 584598612 /nfs/dbraw/zinc/59/86/12/584598612.db2.gz CDTSUDFYXACZSO-NEPJUHHUSA-N 2 0 284.404 -0.117 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000892024128 584599405 /nfs/dbraw/zinc/59/94/05/584599405.db2.gz OCMDUPBAIJJFDD-NWDGAFQWSA-N 2 0 284.404 -0.132 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@@H](C[NH3+])C1CC1)C2 ZINC000892029807 584599971 /nfs/dbraw/zinc/59/99/71/584599971.db2.gz WROWYAXSTNBGPJ-GMXVVIOVSA-N 2 0 252.362 -0.025 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000892049144 584601205 /nfs/dbraw/zinc/60/12/05/584601205.db2.gz SCWNDDIGYDWVIJ-RYUDHWBXSA-N 2 0 284.404 -0.132 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)NCC3C[NH2+]C3)CC[C@H]21 ZINC000892047697 584601245 /nfs/dbraw/zinc/60/12/45/584601245.db2.gz ARBFZRLTQNJZED-NWDGAFQWSA-N 2 0 252.362 -0.059 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000892055623 584602368 /nfs/dbraw/zinc/60/23/68/584602368.db2.gz KQFAUTFYXLZDQO-VXGBXAGGSA-N 2 0 270.377 -0.242 20 0 CBADRP COCCC1(NC(=O)NC[C@H](C)[NH3+])CC[NH2+]CC1 ZINC000892102971 584604848 /nfs/dbraw/zinc/60/48/48/584604848.db2.gz LPQRDTVHDHZJML-JTQLQIEISA-N 2 0 258.366 -0.209 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892103936 584604949 /nfs/dbraw/zinc/60/49/49/584604949.db2.gz SUMFHKFWHFIGLU-GHMZBOCLSA-N 2 0 270.377 -0.209 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000892165840 584607009 /nfs/dbraw/zinc/60/70/09/584607009.db2.gz DWTCNMIPJZLKTN-IJLUTSLNSA-N 2 0 270.377 -0.066 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC[C@@H]1C[NH2+]CCCO1)C2 ZINC000892170322 584607157 /nfs/dbraw/zinc/60/71/57/584607157.db2.gz SSICJRDWAHFOOF-SGMGOOAPSA-N 2 0 282.388 -0.384 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC[C@@H]1C[NH2+]CCO1)C2 ZINC000892183244 584608172 /nfs/dbraw/zinc/60/81/72/584608172.db2.gz DRWDWJAGOQVFAB-GMXVVIOVSA-N 2 0 268.361 -0.774 20 0 CBADRP C[N@@H+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1(C)C ZINC000892184085 584608416 /nfs/dbraw/zinc/60/84/16/584608416.db2.gz OTNTYDHFMWKVEN-NSHDSACASA-N 2 0 270.377 -0.290 20 0 CBADRP CCC1([NH3+])CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000892187732 584608514 /nfs/dbraw/zinc/60/85/14/584608514.db2.gz CEYPHMCNRTZLHJ-LLVKDONJSA-N 2 0 270.377 -0.112 20 0 CBADRP CCN(C(=O)NCCOCC[NH2+]C)[C@@H]1CC[NH2+]C1 ZINC000892280072 584611905 /nfs/dbraw/zinc/61/19/05/584611905.db2.gz HKRDLPQUQGZCOX-LLVKDONJSA-N 2 0 258.366 -0.384 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3COCC[NH2+]3)CC[C@@H]21 ZINC000892288996 584612831 /nfs/dbraw/zinc/61/28/31/584612831.db2.gz IMBLIFYODRYUTE-UPJWGTAASA-N 2 0 282.388 -0.290 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000892288691 584612955 /nfs/dbraw/zinc/61/29/55/584612955.db2.gz FRJXSPZMZUVWFC-NQBHXWOUSA-N 2 0 268.361 -0.441 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000892289821 584613190 /nfs/dbraw/zinc/61/31/90/584613190.db2.gz CKJHLDPUFQVLDZ-NWDGAFQWSA-N 2 0 270.377 -0.112 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)N(CC[NH3+])CCO)C1 ZINC000892480780 584617461 /nfs/dbraw/zinc/61/74/61/584617461.db2.gz KKEOKKYMKJSKAK-LLVKDONJSA-N 2 0 272.393 -0.273 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000892553606 584618561 /nfs/dbraw/zinc/61/85/61/584618561.db2.gz PWIRSMWGCQYAPT-QNWHQSFQSA-N 2 0 284.404 -0.180 20 0 CBADRP CCO[C@@H]1CN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000892568713 584619295 /nfs/dbraw/zinc/61/92/95/584619295.db2.gz YHOIKXRFBVDYIH-DDHJBXDOSA-N 2 0 270.377 -0.271 20 0 CBADRP CN1CCN(C(=O)NCCC(C)(C)[NH3+])[C@@H](C[NH3+])C1 ZINC000892852028 584628503 /nfs/dbraw/zinc/62/85/03/584628503.db2.gz YQSZHMNWLZWMHP-JTQLQIEISA-N 2 0 257.382 -0.602 20 0 CBADRP CCC1([NH3+])CCN(C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000892933918 584630081 /nfs/dbraw/zinc/63/00/81/584630081.db2.gz TWIWIIFDTDJEOU-LBPRGKRZSA-N 2 0 283.420 -0.116 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000894366651 584656827 /nfs/dbraw/zinc/65/68/27/584656827.db2.gz MVQCWXXZNLCBRK-STQMWFEESA-N 2 0 284.404 -0.090 20 0 CBADRP C[NH+]1CCC(C[NH2+]C[C@]23COCCN2C(=O)COC3)CC1 ZINC000895836855 584688042 /nfs/dbraw/zinc/68/80/42/584688042.db2.gz FWLYMZYOSBRHCZ-OAHLLOKOSA-N 2 0 297.399 -0.454 20 0 CBADRP COC(=O)[C@@]1(O)CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000896035253 584691114 /nfs/dbraw/zinc/69/11/14/584691114.db2.gz QUNGTBMALIMQOX-CYBMUJFWSA-N 2 0 256.346 -0.062 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000896260380 584694904 /nfs/dbraw/zinc/69/49/04/584694904.db2.gz YUPXYEUXLUORAQ-ZIAGYGMSSA-N 2 0 297.399 -0.456 20 0 CBADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)[C@H]1C[NH+](C)CCN1C ZINC000896529262 584700625 /nfs/dbraw/zinc/70/06/25/584700625.db2.gz AGLUWHSHXFXRST-JHJVBQTASA-N 2 0 268.405 -0.169 20 0 CBADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1C[NH+](C)CCN1C ZINC000896529266 584700775 /nfs/dbraw/zinc/70/07/75/584700775.db2.gz AGLUWHSHXFXRST-XQQFMLRXSA-N 2 0 268.405 -0.169 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000897446650 584716638 /nfs/dbraw/zinc/71/66/38/584716638.db2.gz XKQWRCQWCSQIFF-TZMCWYRMSA-N 2 0 284.404 -0.306 20 0 CBADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000897514625 584719210 /nfs/dbraw/zinc/71/92/10/584719210.db2.gz VKLMYRAMDVLYJB-GXTWGEPZSA-N 2 0 296.415 -0.069 20 0 CBADRP C[NH+](C)C1(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000897989339 584729009 /nfs/dbraw/zinc/72/90/09/584729009.db2.gz KCLZXTNAPHIKIK-GFCCVEGCSA-N 2 0 267.373 -0.083 20 0 CBADRP CN(CC1C[NH+](C)C1)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000898719337 584740804 /nfs/dbraw/zinc/74/08/04/584740804.db2.gz BGPBJUKPEGCDJO-CYBMUJFWSA-N 2 0 267.373 -0.273 20 0 CBADRP CN(CC1C[NH+](C)C1)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000898719338 584740877 /nfs/dbraw/zinc/74/08/77/584740877.db2.gz BGPBJUKPEGCDJO-ZDUSSCGKSA-N 2 0 267.373 -0.273 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)CCO)CC[N@@H+]1C ZINC000899737755 584777985 /nfs/dbraw/zinc/77/79/85/584777985.db2.gz NQTRDVKHNIPZBS-RYUDHWBXSA-N 2 0 257.378 -0.243 20 0 CBADRP CN1CCC[C@@H]1c1cc(C(=O)NCC[N@H+](C)CCO)[nH]n1 ZINC000899740348 584778911 /nfs/dbraw/zinc/77/89/11/584778911.db2.gz ISTIJVZVCFXUHI-CYBMUJFWSA-N 2 0 295.387 -0.170 20 0 CBADRP C[NH+](C)C(C)(C)CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000899963067 584786971 /nfs/dbraw/zinc/78/69/71/584786971.db2.gz BCBZWMFATIEYAB-ZWNOBZJWSA-N 2 0 257.378 -0.102 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC1CC[NH+](C)CC1 ZINC000900001338 584788254 /nfs/dbraw/zinc/78/82/54/584788254.db2.gz CTHPGEHLANVDEC-YPMHNXCESA-N 2 0 255.362 -0.348 20 0 CBADRP O=C(NCC[NH+]1CCCC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000900011139 584788832 /nfs/dbraw/zinc/78/88/32/584788832.db2.gz LKJSKCXOKRATKX-CYBMUJFWSA-N 2 0 267.373 -0.081 20 0 CBADRP C[NH+]1CCN(CCNC(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000900043500 584789983 /nfs/dbraw/zinc/78/99/83/584789983.db2.gz OBQGPOQODQXVHV-AWEZNQCLSA-N 2 0 296.415 -0.929 20 0 CBADRP C[C@@H](CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)[NH+](C)C ZINC000900164148 584793696 /nfs/dbraw/zinc/79/36/96/584793696.db2.gz WXASEZSGHKHCMS-AAEUAGOBSA-N 2 0 257.378 -0.101 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000900192639 584794865 /nfs/dbraw/zinc/79/48/65/584794865.db2.gz UGWLLNJHJKQGPT-JSGCOSHPSA-N 2 0 287.404 -0.474 20 0 CBADRP C[N@H+](CCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)C1CC1 ZINC000900367881 584800603 /nfs/dbraw/zinc/80/06/03/584800603.db2.gz XPIFSPCPLQDFSU-AAEUAGOBSA-N 2 0 255.362 -0.348 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000900441821 584804316 /nfs/dbraw/zinc/80/43/16/584804316.db2.gz ODFQNKFLNZIEOU-SFDCQRBFSA-N 2 0 297.399 -0.579 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000900526061 584810237 /nfs/dbraw/zinc/81/02/37/584810237.db2.gz SFVCVUOFDKPKHD-BZPMIXESSA-N 2 0 269.389 -0.006 20 0 CBADRP C[NH+](C)C1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900631624 584817938 /nfs/dbraw/zinc/81/79/38/584817938.db2.gz AXCUOVKUMAGYKR-OCCSQVGLSA-N 2 0 269.389 -0.006 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000900659376 584819483 /nfs/dbraw/zinc/81/94/83/584819483.db2.gz MTIYHJRGDRZFGF-DZGCQCFKSA-N 2 0 298.431 -0.805 20 0 CBADRP C[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000900696252 584822855 /nfs/dbraw/zinc/82/28/55/584822855.db2.gz UHXGFWCANUCRQS-NFAWXSAZSA-N 2 0 298.431 -0.806 20 0 CBADRP CC(C)[N@H+](C)CCNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000900698535 584822884 /nfs/dbraw/zinc/82/28/84/584822884.db2.gz HJTGFUOHKYGCBJ-YPMHNXCESA-N 2 0 257.378 -0.102 20 0 CBADRP C[C@H](NC(=O)C[NH+]1CCCC1)[C@@H]1C[N@H+](C)CCN1C ZINC000900812007 584828368 /nfs/dbraw/zinc/82/83/68/584828368.db2.gz QLMNFFWWMRCTNS-STQMWFEESA-N 2 0 268.405 -0.167 20 0 CBADRP CN(C(=O)[C@@]1(C)C[C@H](O)C[NH+]1C)[C@H]1CCC[N@H+](C)C1 ZINC000900833387 584829725 /nfs/dbraw/zinc/82/97/25/584829725.db2.gz WBVMLGAYHORAJX-SGMGOOAPSA-N 2 0 269.389 -0.006 20 0 CBADRP C[N@@H+](CC(=O)N1CCOCC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430962 584890317 /nfs/dbraw/zinc/89/03/17/584890317.db2.gz ANEMASKQNXLGAE-NEPJUHHUSA-N 2 0 255.362 -0.096 20 0 CBADRP COCCNC(=O)CN1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903441469 584890464 /nfs/dbraw/zinc/89/04/64/584890464.db2.gz UAUREUAYYPCITQ-KGLIPLIRSA-N 2 0 298.431 -0.506 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H](C)C(N)=O)C2 ZINC000903492446 584891598 /nfs/dbraw/zinc/89/15/98/584891598.db2.gz DSVPHPJCAJJIIY-UOKLYIGXSA-N 2 0 255.318 -0.928 20 0 CBADRP CC(C)[C@](C)(C[NH3+])NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000903492076 584891670 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ISNWFZZCEJYIPK-UHFFFAOYSA-N 2 0 261.391 -0.117 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000903535639 584892711 /nfs/dbraw/zinc/89/27/11/584892711.db2.gz VYJDJMQWHCXOMC-MNOVXSKESA-N 2 0 290.433 -0.640 20 0 CBADRP [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000903583925 584893937 /nfs/dbraw/zinc/89/39/37/584893937.db2.gz HXNGLANRWOLVFI-GRYCIOLGSA-N 2 0 273.402 -0.119 20 0 CBADRP O=S(=O)([C@H]1CCC[NH2+]C1)N1CCC[C@@]12CC[NH2+]C2 ZINC000903591599 584894118 /nfs/dbraw/zinc/89/41/18/584894118.db2.gz GPLNFGDGANJMKU-RYUDHWBXSA-N 2 0 273.402 -0.104 20 0 CBADRP C[NH2+]CCN(C(C)C)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000903591831 584894265 /nfs/dbraw/zinc/89/42/65/584894265.db2.gz UCDZPRXTTUNOGV-UHFFFAOYSA-N 2 0 292.449 -0.155 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000903610040 584894928 /nfs/dbraw/zinc/89/49/28/584894928.db2.gz WZTPZMHFZFFRIZ-RYUDHWBXSA-N 2 0 275.418 0.000 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903717127 584895616 /nfs/dbraw/zinc/89/56/16/584895616.db2.gz HEILCSHVASTHON-XDQVBPFNSA-N 2 0 269.389 -0.197 20 0 CBADRP CC(C)[N@@H+](CC(N)=O)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717420 584895630 /nfs/dbraw/zinc/89/56/30/584895630.db2.gz AEZVTDURSKCUFY-AAEUAGOBSA-N 2 0 255.362 -0.049 20 0 CBADRP CC(C)[N@@H+](CC(N)=O)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717422 584895657 /nfs/dbraw/zinc/89/56/57/584895657.db2.gz AEZVTDURSKCUFY-WCQYABFASA-N 2 0 255.362 -0.049 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903716603 584895685 /nfs/dbraw/zinc/89/56/85/584895685.db2.gz QAVDNCIBROUWMT-LSDHHAIUSA-N 3 0 282.432 -0.408 20 0 CBADRP CC[N@@H+](CC(=O)NC)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903724993 584895922 /nfs/dbraw/zinc/89/59/22/584895922.db2.gz UGJLDCJEHJDFJU-DGCLKSJQSA-N 2 0 255.362 -0.177 20 0 CBADRP CC[N@@H+](CC(=O)NC)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903724995 584895926 /nfs/dbraw/zinc/89/59/26/584895926.db2.gz UGJLDCJEHJDFJU-YPMHNXCESA-N 2 0 255.362 -0.177 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903749720 584897341 /nfs/dbraw/zinc/89/73/41/584897341.db2.gz PKEAYMHUTZKBTA-KCQAQPDRSA-N 2 0 297.399 -0.408 20 0 CBADRP CN(C)C(=O)[C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC000903756337 584897645 /nfs/dbraw/zinc/89/76/45/584897645.db2.gz QHPFVAVTOMHBNL-OLZOCXBDSA-N 2 0 268.405 -0.262 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903760880 584897763 /nfs/dbraw/zinc/89/77/63/584897763.db2.gz WMCSZUCQPXCFCT-GFCCVEGCSA-N 2 0 296.415 -0.265 20 0 CBADRP OCC[NH2+][C@@H]1CCCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903770302 584898482 /nfs/dbraw/zinc/89/84/82/584898482.db2.gz FQMDXYLFYSWREN-KFWWJZLASA-N 2 0 283.416 -0.199 20 0 CBADRP C[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)CC[C@H]1C[NH3+] ZINC000903788159 584899701 /nfs/dbraw/zinc/89/97/01/584899701.db2.gz CZCPNLGTPUJFST-NEPJUHHUSA-N 2 0 275.418 -0.061 20 0 CBADRP O=C(CC[N@@H+]1CCO[C@@H]2COCC[C@@H]21)N1CC[NH2+]CC1 ZINC000903825589 584900909 /nfs/dbraw/zinc/90/09/09/584900909.db2.gz ACTWBNOEGODGJR-QWHCGFSZSA-N 2 0 283.372 -0.702 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000903826311 584900942 /nfs/dbraw/zinc/90/09/42/584900942.db2.gz HWXHCRMEXDGZIE-WYUUTHIRSA-N 2 0 275.418 -0.302 20 0 CBADRP NC(=O)[C@]12CCC[C@H]1C[N@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000903826564 584901016 /nfs/dbraw/zinc/90/10/16/584901016.db2.gz LWBWGZDPIOOPBT-WFASDCNBSA-N 2 0 294.399 -0.604 20 0 CBADRP CC[N@H+](CCC(=O)NC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903826926 584901022 /nfs/dbraw/zinc/90/10/22/584901022.db2.gz OEKFUNMJTFCJMI-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP NC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000903827262 584901047 /nfs/dbraw/zinc/90/10/47/584901047.db2.gz RBAKEQDRKFDPCO-ZOWXZIJZSA-N 2 0 279.384 -0.048 20 0 CBADRP C[C@](Cn1cccn1)([NH2+]CC[C@H]1CC[NH2+]C1)C(N)=O ZINC000903829580 584901224 /nfs/dbraw/zinc/90/12/24/584901224.db2.gz HYVDHLHKLFFEFE-DGCLKSJQSA-N 2 0 265.361 -0.284 20 0 CBADRP O=C(CC[N@@H+]1CCCCCNC(=O)CC1)N1CC[NH2+]CC1 ZINC000903830172 584901390 /nfs/dbraw/zinc/90/13/90/584901390.db2.gz VLDCUONHVCQMKS-UHFFFAOYSA-N 2 0 296.415 -0.200 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1CCN1CC[NH2+]CC1 ZINC000903837060 584901651 /nfs/dbraw/zinc/90/16/51/584901651.db2.gz BEAZCUAITBDGKA-CYBMUJFWSA-N 2 0 256.394 -0.798 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000903839452 584901742 /nfs/dbraw/zinc/90/17/42/584901742.db2.gz LCFOQGMPMGTIOJ-ZIAGYGMSSA-N 2 0 271.405 -0.247 20 0 CBADRP O=C(CCN1CCC[C@]12CC[NH2+]C2)N1CC[NH2+]CC1 ZINC000903868493 584902773 /nfs/dbraw/zinc/90/27/73/584902773.db2.gz ZGKLFLJFVUHERZ-CQSZACIVSA-N 2 0 266.389 -0.364 20 0 CBADRP C[NH2+][C@H]1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903873506 584902892 /nfs/dbraw/zinc/90/28/92/584902892.db2.gz IXSOIVXEGCWPMV-RYUDHWBXSA-N 2 0 264.377 -0.004 20 0 CBADRP CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000903874315 584902960 /nfs/dbraw/zinc/90/29/60/584902960.db2.gz XUJLBHZQRRWPOG-VXGBXAGGSA-N 2 0 264.377 -0.004 20 0 CBADRP Cc1c(C[C@@H](C[NH3+])CN2CC[NH2+]CC2)cnn1C ZINC000903873273 584902965 /nfs/dbraw/zinc/90/29/65/584902965.db2.gz GGVCQVHKXDAYMK-LBPRGKRZSA-N 2 0 251.378 -0.249 20 0 CBADRP Cc1c(C[C@H](C[NH3+])CN2CCO[C@H]([C@@H](C)[NH3+])C2)cnn1C ZINC000903873515 584902967 /nfs/dbraw/zinc/90/29/67/584902967.db2.gz JBEVKAVXVWNXFX-KYOSRNDESA-N 2 0 295.431 -0.106 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000903873832 584902970 /nfs/dbraw/zinc/90/29/70/584902970.db2.gz MNBKNYUILPASIY-VHSXEESVSA-N 2 0 278.347 -0.244 20 0 CBADRP C[C@H]1C(=O)NCCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903876647 584903352 /nfs/dbraw/zinc/90/33/52/584903352.db2.gz ZOCVJIZIMQUCQV-WDEREUQCSA-N 2 0 253.346 -0.425 20 0 CBADRP NC(=O)CC1([NH2+]CCC(=O)N2CC[NH2+]CC2)CCCCC1 ZINC000903876373 584903362 /nfs/dbraw/zinc/90/33/62/584903362.db2.gz XPAMXBKNMADGLQ-UHFFFAOYSA-N 2 0 296.415 -0.024 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000903880265 584903419 /nfs/dbraw/zinc/90/34/19/584903419.db2.gz FXKXJEGBXHEHRS-PMPSAXMXSA-N 2 0 293.411 -0.163 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903880487 584903724 /nfs/dbraw/zinc/90/37/24/584903724.db2.gz JHOMJGKLFQLZOW-NWDGAFQWSA-N 2 0 255.362 -0.572 20 0 CBADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H](O)C2)cnn1C ZINC000903884291 584903800 /nfs/dbraw/zinc/90/38/00/584903800.db2.gz WUZKJFMAAFORPB-YPMHNXCESA-N 2 0 252.362 -0.087 20 0 CBADRP COCC[N@H+](CCO)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903890508 584903981 /nfs/dbraw/zinc/90/39/81/584903981.db2.gz DCEDEDORIFHGLM-ZDUSSCGKSA-N 2 0 284.404 -0.213 20 0 CBADRP CN1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000903918228 584904726 /nfs/dbraw/zinc/90/47/26/584904726.db2.gz VLALRROOHOMQON-STQMWFEESA-N 2 0 293.419 -0.723 20 0 CBADRP COCC[NH2+]CCNCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903919672 584904822 /nfs/dbraw/zinc/90/48/22/584904822.db2.gz PLYWMMWWEWJPPC-LBPRGKRZSA-N 2 0 282.392 -0.472 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cnnn1C)C2 ZINC000903979084 584905566 /nfs/dbraw/zinc/90/55/66/584905566.db2.gz VCDNSANCRXEYNO-CWSCBRNRSA-N 2 0 279.344 -0.473 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000968645417 614340029 /nfs/dbraw/zinc/34/00/29/614340029.db2.gz ZEDGALVAFFQQRI-VXGBXAGGSA-N 2 0 282.388 -0.465 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000968915699 614356126 /nfs/dbraw/zinc/35/61/26/614356126.db2.gz NUYFYMKAWKUYCH-OLZOCXBDSA-N 2 0 296.415 -0.075 20 0 CBADRP CC(C)N1CCO[C@@H](C(=O)N2CC[C@H]([N@H+](C)CCO)C2)C1 ZINC000972170085 614363317 /nfs/dbraw/zinc/36/33/17/614363317.db2.gz YCZLTKAHRSGNOK-UONOGXRCSA-N 2 0 299.415 -0.379 20 0 CBADRP CC[NH+]1CC(N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000941641121 615086624 /nfs/dbraw/zinc/08/66/24/615086624.db2.gz USFRPLYSRFECJL-UHFFFAOYSA-N 2 0 292.427 -0.070 20 0 CBADRP CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941666282 615087822 /nfs/dbraw/zinc/08/78/22/615087822.db2.gz SUYPDPRJAUQVJJ-ZDUSSCGKSA-N 2 0 280.416 -0.214 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1)[NH+](C)C ZINC000969989255 615375028 /nfs/dbraw/zinc/37/50/28/615375028.db2.gz JSSDKTBMGZOCKM-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H](N(C)CC(N)=O)C1)[NH+](C)C ZINC000971777815 615602065 /nfs/dbraw/zinc/60/20/65/615602065.db2.gz HSRPNQMUPWNQIQ-GHMZBOCLSA-N 2 0 270.377 -0.655 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@H](C)O)C1)[NH+](C)C ZINC000969077560 615602603 /nfs/dbraw/zinc/60/26/03/615602603.db2.gz WNZGOMIFFLKNMF-QJPTWQEYSA-N 2 0 257.378 -0.102 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C1)[NH+](C)C ZINC000969074815 615602843 /nfs/dbraw/zinc/60/28/43/615602843.db2.gz UVYGIGALZHNAEE-DGCLKSJQSA-N 2 0 294.403 -0.154 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC[C@@H]([NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC000968907390 615841146 /nfs/dbraw/zinc/84/11/46/615841146.db2.gz LHACQOKTKXANIS-NEPJUHHUSA-N 2 0 294.399 -0.450 20 0 CBADRP CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC000958414771 615965931 /nfs/dbraw/zinc/96/59/31/615965931.db2.gz KHPKXCNIDMGLBT-CZXHOFHRSA-N 2 0 294.399 -0.785 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1)C1CC1 ZINC000968912779 615972206 /nfs/dbraw/zinc/97/22/06/615972206.db2.gz ROSRRQJIMZXUEX-ZYHUDNBSSA-N 2 0 268.361 -0.998 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCO)C1)C1CC1 ZINC000968915261 615972338 /nfs/dbraw/zinc/97/23/38/615972338.db2.gz FUGDDFZGCBWXSG-VXGBXAGGSA-N 2 0 255.362 -0.491 20 0 CBADRP C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971540080 616111012 /nfs/dbraw/zinc/11/10/12/616111012.db2.gz CEBNOKZVSVJSHI-KGLIPLIRSA-N 2 0 281.400 -0.147 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)CC1 ZINC000978673826 616167147 /nfs/dbraw/zinc/16/71/47/616167147.db2.gz FUVHMOMDKZCENU-ZSOGYDGISA-N 2 0 281.400 -0.386 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC000981310793 616167436 /nfs/dbraw/zinc/16/74/36/616167436.db2.gz GVQTXOSYASZVKC-QWHCGFSZSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+]1CCC(OCC(=O)N2CCC[N@H+](CCO)CC2)CC1 ZINC000983046693 616174893 /nfs/dbraw/zinc/17/48/93/616174893.db2.gz HKMDZXLNYGTQQO-UHFFFAOYSA-N 2 0 299.415 -0.376 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21 ZINC000960576244 616180651 /nfs/dbraw/zinc/18/06/51/616180651.db2.gz GUXMYKUQUNDVIZ-RQJABVFESA-N 2 0 281.400 -0.101 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21 ZINC000958414835 616195125 /nfs/dbraw/zinc/19/51/25/616195125.db2.gz LHNZHDWSNHLOLZ-XQHKEYJVSA-N 2 0 267.373 -0.491 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000968967503 616195235 /nfs/dbraw/zinc/19/52/35/616195235.db2.gz RSXCSZRDSSAXSB-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP CN(CC(N)=O)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000971715010 616213327 /nfs/dbraw/zinc/21/33/27/616213327.db2.gz CILPBKFVCWPDKD-QWHCGFSZSA-N 2 0 296.415 -0.121 20 0 CBADRP C[N@H+](CCO)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980390208 616364298 /nfs/dbraw/zinc/36/42/98/616364298.db2.gz GAZIKMIFXNZVQT-RYUDHWBXSA-N 2 0 255.362 -0.537 20 0 CBADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962581148 616791818 /nfs/dbraw/zinc/79/18/18/616791818.db2.gz WNQKRWYWQNRMQK-NMKXLXIOSA-N 2 0 294.399 -0.737 20 0 CBADRP C[NH2+]C[C@@H](O)CNC[C@H](O)CC1(O)CCCCC1 ZINC000905352480 656352657 /nfs/dbraw/zinc/35/26/57/656352657.db2.gz DHXLSGKMHBWSSJ-VXGBXAGGSA-N 2 0 260.378 -0.398 20 0 CBADRP C[C@@H](NC(C[NH3+])C[NH3+])C(=O)NC1CCC(C)CC1 ZINC000923351420 658224086 /nfs/dbraw/zinc/22/40/86/658224086.db2.gz LDRFGBGGVJDFJA-HSOILSAZSA-N 2 0 256.394 -0.055 20 0 CBADRP CN(CCOc1ccccc1F)C(=O)CNC(C[NH3+])C[NH3+] ZINC000923352332 658224350 /nfs/dbraw/zinc/22/43/50/658224350.db2.gz VCSBJZBEPDOMFP-UHFFFAOYSA-N 2 0 298.362 -0.462 20 0 CBADRP Cc1ccc(CNC(=O)CNC(C[NH3+])C[NH3+])cc1F ZINC000923350818 658225402 /nfs/dbraw/zinc/22/54/02/658225402.db2.gz DUNHKDNULVZUEI-UHFFFAOYSA-N 2 0 268.336 -0.374 20 0 CBADRP CC1CCC(N(C)C(=O)CNC(C[NH3+])C[NH3+])CC1 ZINC000923351445 658225629 /nfs/dbraw/zinc/22/56/29/658225629.db2.gz HYIDFRPZUBDHGV-UHFFFAOYSA-N 2 0 256.394 -0.101 20 0 CBADRP C[C@@H]1CC[N@H+](CCN2C(=O)CN(C)C2=O)C[C@@H]1C[NH3+] ZINC000923375655 658245198 /nfs/dbraw/zinc/24/51/98/658245198.db2.gz OMBWGDYPMSNMBL-MNOVXSKESA-N 2 0 268.361 -0.203 20 0 CBADRP CNC(=O)[C@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)C(C)C ZINC000923379218 658246367 /nfs/dbraw/zinc/24/63/67/658246367.db2.gz NNKKMXKNVDLDAV-WDEREUQCSA-N 2 0 255.362 -0.275 20 0 CBADRP CC(C)Cn1ncnc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459360 658285846 /nfs/dbraw/zinc/28/58/46/658285846.db2.gz GRJVKVWTTYKDHA-UHFFFAOYSA-N 2 0 266.393 -0.071 20 0 CBADRP COCCCNC(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452816 658286307 /nfs/dbraw/zinc/28/63/07/658286307.db2.gz XMDYRJCOXFQZPE-ZDUSSCGKSA-N 2 0 299.415 -0.031 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923453337 658286577 /nfs/dbraw/zinc/28/65/77/658286577.db2.gz ALGOFMXYPVZVPG-WDEREUQCSA-N 2 0 298.387 -0.340 20 0 CBADRP COCCCNC(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452814 658287839 /nfs/dbraw/zinc/28/78/39/658287839.db2.gz XMDYRJCOXFQZPE-CYBMUJFWSA-N 2 0 299.415 -0.031 20 0 CBADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923486320 658304480 /nfs/dbraw/zinc/30/44/80/658304480.db2.gz PJIGHCYWJGTTOV-JHJVBQTASA-N 2 0 296.415 -0.231 20 0 CBADRP COC(=O)CCNC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923484833 658304529 /nfs/dbraw/zinc/30/45/29/658304529.db2.gz OIBCOQNEZHYFHM-SNVBAGLBSA-N 2 0 257.334 -0.664 20 0 CBADRP NC(=O)C12CCC(CC1)[N@@H+]2C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000923531714 658314992 /nfs/dbraw/zinc/31/49/92/658314992.db2.gz SRHSOZWSASUQKU-CVZZAPKMSA-N 2 0 265.357 -0.010 20 0 CBADRP O=S(=O)(NC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000923566108 658329109 /nfs/dbraw/zinc/32/91/09/658329109.db2.gz IQZJEJQABIENOZ-WDEREUQCSA-N 2 0 261.391 -0.343 20 0 CBADRP COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)C1C[NH2+]C1 ZINC000923562885 658329146 /nfs/dbraw/zinc/32/91/46/658329146.db2.gz NVZGAGVGKMQLCS-LLVKDONJSA-N 2 0 285.369 -0.414 20 0 CBADRP C[NH2+]C[C@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923564063 658329514 /nfs/dbraw/zinc/32/95/14/658329514.db2.gz RVBQFDIKOJMPLF-LLVKDONJSA-N 2 0 276.406 -0.932 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923562960 658330225 /nfs/dbraw/zinc/33/02/25/658330225.db2.gz GUHUPHPZYNPNKD-RYUDHWBXSA-N 2 0 275.418 0.000 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923572622 658335343 /nfs/dbraw/zinc/33/53/43/658335343.db2.gz KEWXUEHQSMYNJM-HBNTYKKESA-N 2 0 261.391 -0.215 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923618203 658354597 /nfs/dbraw/zinc/35/45/97/658354597.db2.gz KINRBIOOLXKRQU-NWDGAFQWSA-N 2 0 290.433 -0.592 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923618202 658355446 /nfs/dbraw/zinc/35/54/46/658355446.db2.gz KINRBIOOLXKRQU-NEPJUHHUSA-N 2 0 290.433 -0.592 20 0 CBADRP C[C@H]1C[C@H](NS(=O)(=O)C2C[NH2+]C2)C[N@@H+]1C1CC1 ZINC000923623362 658356843 /nfs/dbraw/zinc/35/68/43/658356843.db2.gz AORXMUUAMFKFFO-IUCAKERBSA-N 2 0 259.375 -0.497 20 0 CBADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)C1C[NH2+]C1 ZINC000923622400 658357244 /nfs/dbraw/zinc/35/72/44/658357244.db2.gz XOWFGOBFVVEDFQ-QWRGUYRKSA-N 2 0 273.402 -0.153 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)C3C[NH2+]C3)C[C@H]21 ZINC000923637826 658367940 /nfs/dbraw/zinc/36/79/40/658367940.db2.gz UQDPYVNHHCIWEQ-JMJZKYOTSA-N 2 0 259.375 -0.653 20 0 CBADRP O=S(=O)(N[C@H]1CCC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000923638670 658368323 /nfs/dbraw/zinc/36/83/23/658368323.db2.gz RDTOSWOSEBPCPT-QWRGUYRKSA-N 2 0 261.391 -0.200 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000923636513 658368963 /nfs/dbraw/zinc/36/89/63/658368963.db2.gz MUACSINQQJTYGB-GFCCVEGCSA-N 2 0 273.402 -0.248 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000923636514 658369204 /nfs/dbraw/zinc/36/92/04/658369204.db2.gz MUACSINQQJTYGB-LBPRGKRZSA-N 2 0 273.402 -0.248 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923637697 658369255 /nfs/dbraw/zinc/36/92/55/658369255.db2.gz ZNDNVEFVXGBNLX-MXWKQRLJSA-N 2 0 261.391 -0.072 20 0 CBADRP O=S(=O)(N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000923638668 658369676 /nfs/dbraw/zinc/36/96/76/658369676.db2.gz RDTOSWOSEBPCPT-GHMZBOCLSA-N 2 0 261.391 -0.200 20 0 CBADRP C[C@@H]1[NH2+]CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000923639273 658369705 /nfs/dbraw/zinc/36/97/05/658369705.db2.gz JATLXWXCKZETRO-DCAQKATOSA-N 2 0 261.391 -0.250 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923642629 658370910 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COC(=O)CNC(=O)CC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440329 659463113 /nfs/dbraw/zinc/46/31/13/659463113.db2.gz VUEKIUKUIFSGBX-NWDGAFQWSA-N 2 0 283.372 -0.451 20 0 CBADRP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)NC(N)=O)C[C@@H]2C1 ZINC000931431894 659464849 /nfs/dbraw/zinc/46/48/49/659464849.db2.gz FPIQCDPNRFMDFG-ZJUUUORDSA-N 2 0 254.334 -0.545 20 0 CBADRP CN1CCC[C@H]([NH+]2CCC(O)(C[NH+](C)C)CC2)C1=O ZINC000931482491 659470775 /nfs/dbraw/zinc/47/07/75/659470775.db2.gz IKXVZDRNWQEOGV-LBPRGKRZSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@H](CC[NH+](C)C)NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000049646518 656020922 /nfs/dbraw/zinc/02/09/22/656020922.db2.gz IBIUUVCZSMNWFN-GHMZBOCLSA-N 2 0 263.407 -0.002 20 0 CBADRP CNC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298863 656026096 /nfs/dbraw/zinc/02/60/96/656026096.db2.gz CPKIUKPQGPNBGZ-NSHDSACASA-N 2 0 268.361 -0.981 20 0 CBADRP CNC(NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)=[NH+]C ZINC000066246644 656036149 /nfs/dbraw/zinc/03/61/49/656036149.db2.gz DILXSWKESQTFFN-NSHDSACASA-N 2 0 269.393 -0.276 20 0 CBADRP Cc1cc(N2CC[NH+](C[C@H](C)O)CC2)nc(N)[nH+]1 ZINC000071856504 656042317 /nfs/dbraw/zinc/04/23/17/656042317.db2.gz NCHMLNWFNHTINB-JTQLQIEISA-N 2 0 251.334 -0.130 20 0 CBADRP C[NH+](C)CCC1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000077655222 656046676 /nfs/dbraw/zinc/04/66/76/656046676.db2.gz ICBYOFMUUPRTLE-UHFFFAOYSA-N 2 0 263.407 -0.061 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CCC[NH2+]1 ZINC000091668347 656058809 /nfs/dbraw/zinc/05/88/09/656058809.db2.gz PZKHANZTGZKQJC-IJLUTSLNSA-N 2 0 253.346 -0.282 20 0 CBADRP Cn1c(C[N@H+](C)C2CCC([NH3+])CC2)cc(=O)n(C)c1=O ZINC000091846309 656058942 /nfs/dbraw/zinc/05/89/42/656058942.db2.gz CVSPLEKIUNJTML-UHFFFAOYSA-N 2 0 280.372 -0.214 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000178874286 656089213 /nfs/dbraw/zinc/08/92/13/656089213.db2.gz WOMJKVRABLFIHT-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP C[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000228190169 656109576 /nfs/dbraw/zinc/10/95/76/656109576.db2.gz HDFLOFIZVCCJGR-AVGNSLFASA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH2+]CC1CC[NH+](C[C@@H](O)COCCOC)CC1 ZINC000234361793 656114449 /nfs/dbraw/zinc/11/44/49/656114449.db2.gz FLLSRABAPSBMIK-CYBMUJFWSA-N 2 0 260.378 -0.058 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250483056 656121798 /nfs/dbraw/zinc/12/17/98/656121798.db2.gz XIEOLCCIOBMCKA-MGPQQGTHSA-N 2 0 299.415 -0.426 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1CCC[NH2+]C1 ZINC000250521508 656121982 /nfs/dbraw/zinc/12/19/82/656121982.db2.gz LITFGCKVBFJIQI-AGIUHOORSA-N 2 0 267.373 -0.035 20 0 CBADRP COC[C@]1(C(=O)NCC[NH+]2CCCC2)CC[NH2+]C1 ZINC000261567901 656124573 /nfs/dbraw/zinc/12/45/73/656124573.db2.gz IUZOMTUUSYECDV-ZDUSSCGKSA-N 2 0 255.362 -0.176 20 0 CBADRP O=C(CC[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)N1CC[NH2+]CC1 ZINC000262081556 656128793 /nfs/dbraw/zinc/12/87/93/656128793.db2.gz KSMWCZLQTVHGIG-NEPJUHHUSA-N 2 0 280.372 -0.839 20 0 CBADRP O=C(CC[N@@H+]1CC[C@]2(CCOC2)C1)N1CC[NH2+]CC1 ZINC000262211911 656129465 /nfs/dbraw/zinc/12/94/65/656129465.db2.gz TVQCZZSZNCVBBN-AWEZNQCLSA-N 2 0 267.373 -0.079 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000262135215 656129501 /nfs/dbraw/zinc/12/95/01/656129501.db2.gz OGDKCVVEEKTNBN-LOWVWBTDSA-N 2 0 284.404 -0.186 20 0 CBADRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(=O)n(C)c1=O ZINC000262148348 656129514 /nfs/dbraw/zinc/12/95/14/656129514.db2.gz ZRZHKZGIZWBDPW-UHFFFAOYSA-N 2 0 292.383 -0.341 20 0 CBADRP C[N@H+](C[C@H](O)CNC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C1CC1 ZINC000312321601 656147155 /nfs/dbraw/zinc/14/71/55/656147155.db2.gz GKBHVJZZSIUBBK-RBSFLKMASA-N 2 0 283.416 -0.106 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000418947446 656167094 /nfs/dbraw/zinc/16/70/94/656167094.db2.gz PQXGANHVGHXEIL-UWVGGRQHSA-N 2 0 258.366 -0.704 20 0 CBADRP CC1CC[NH+](CCNC(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000702422870 656180528 /nfs/dbraw/zinc/18/05/28/656180528.db2.gz UHZLWUIJRBAWNG-LBPRGKRZSA-N 2 0 256.394 -0.277 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000702420711 656180582 /nfs/dbraw/zinc/18/05/82/656180582.db2.gz NCVHPOWNISWCIF-WOPDTQHZSA-N 2 0 254.378 -0.430 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000702416589 656180652 /nfs/dbraw/zinc/18/06/52/656180652.db2.gz GOUKVFDEAFIHIZ-ZDUSSCGKSA-N 2 0 268.405 -0.038 20 0 CBADRP C[C@@H](CNC(=O)[C@@H](N)C[NH+](C)C)C[NH+]1CCCC1 ZINC000702418350 656180868 /nfs/dbraw/zinc/18/08/68/656180868.db2.gz BLOZLLDZMPPVIH-RYUDHWBXSA-N 2 0 256.394 -0.277 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H](N)C[NH+](C)C ZINC000702418323 656180981 /nfs/dbraw/zinc/18/09/81/656180981.db2.gz AYWYRHCEAXIQEV-RYUDHWBXSA-N 2 0 256.394 -0.134 20 0 CBADRP C[N@@H+]1CC[C@](O)(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000702575135 656182136 /nfs/dbraw/zinc/18/21/36/656182136.db2.gz WGKRMTBKKVQMGE-GLBINXAQSA-N 2 0 251.374 -0.361 20 0 CBADRP C[NH+](C)C[C@@H]1CN(S(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC000706051439 656187456 /nfs/dbraw/zinc/18/74/56/656187456.db2.gz VVZOOKXAFXEHNR-GHMZBOCLSA-N 2 0 263.407 -0.383 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC000708547803 656193257 /nfs/dbraw/zinc/19/32/57/656193257.db2.gz MQELZUIKQUYVHI-RYUDHWBXSA-N 2 0 255.362 -0.489 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000710128314 656197100 /nfs/dbraw/zinc/19/71/00/656197100.db2.gz PEUSHDNCMFPIRT-QJPTWQEYSA-N 2 0 267.373 -0.036 20 0 CBADRP CCOC(=O)C[C@@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710606584 656198824 /nfs/dbraw/zinc/19/88/24/656198824.db2.gz KQFXTRPBGXLKBL-GFCCVEGCSA-N 2 0 288.388 -0.311 20 0 CBADRP C[NH+](C)CC1(O)CC[NH+](CCN2CCCC2=O)CC1 ZINC000710608669 656199543 /nfs/dbraw/zinc/19/95/43/656199543.db2.gz YCBRLZTULFFETG-UHFFFAOYSA-N 2 0 269.389 -0.003 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H]2CCC[N@@H+]2C)C[NH2+]CCO1 ZINC000710756106 656200707 /nfs/dbraw/zinc/20/07/07/656200707.db2.gz UZHZWZKLMYBHDV-DGCLKSJQSA-N 2 0 271.361 -0.798 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]2CCC[N@@H+]2C)C[NH2+]CCO1 ZINC000710756108 656201022 /nfs/dbraw/zinc/20/10/22/656201022.db2.gz UZHZWZKLMYBHDV-YPMHNXCESA-N 2 0 271.361 -0.798 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H]2CCC[N@H+](C)C2)C[NH2+]CCO1 ZINC000710784205 656201451 /nfs/dbraw/zinc/20/14/51/656201451.db2.gz PVFRQJWTUUJHME-GXTWGEPZSA-N 2 0 285.388 -0.551 20 0 CBADRP COC[C@@]1(C(=O)N2CCC([NH+](C)C)CC2)C[NH2+]CCO1 ZINC000710782129 656201492 /nfs/dbraw/zinc/20/14/92/656201492.db2.gz GLUVBFZKCGHILI-CQSZACIVSA-N 2 0 285.388 -0.456 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710828216 656204469 /nfs/dbraw/zinc/20/44/69/656204469.db2.gz LNYFTHWZHWWKGI-OCCSQVGLSA-N 2 0 287.404 -0.162 20 0 CBADRP CCCN(CC[NH+](C)C)C(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710837363 656204631 /nfs/dbraw/zinc/20/46/31/656204631.db2.gz AGSFBWZJUPSHSP-AWEZNQCLSA-N 2 0 287.404 -0.208 20 0 CBADRP COC[C@@]1(C(=O)N[C@H](C)CC[NH+](C)C)C[NH2+]CCO1 ZINC000710840278 656204999 /nfs/dbraw/zinc/20/49/99/656204999.db2.gz YJNJUVJXJNNRLD-DGCLKSJQSA-N 2 0 273.377 -0.552 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH2+]CCC1(C)C ZINC000712581548 656210803 /nfs/dbraw/zinc/21/08/03/656210803.db2.gz AVCGAZLUQXIAJC-ZDUSSCGKSA-N 2 0 273.421 -0.001 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000715032534 656217858 /nfs/dbraw/zinc/21/78/58/656217858.db2.gz DJVINRWSYPGKAR-SOUVJXGZSA-N 2 0 285.432 -0.001 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715579877 656220413 /nfs/dbraw/zinc/22/04/13/656220413.db2.gz RPFXPEGQROWMEQ-TUAOUCFPSA-N 2 0 256.394 -0.136 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000715528907 656220105 /nfs/dbraw/zinc/22/01/05/656220105.db2.gz BYGKXNVHWAGOKX-VXGBXAGGSA-N 2 0 290.433 -0.401 20 0 CBADRP O=C(N[C@H]1CCC[N@@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC000715842062 656220609 /nfs/dbraw/zinc/22/06/09/656220609.db2.gz FCWFYNUZFQSHKW-LBPRGKRZSA-N 2 0 267.373 -0.345 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NCC[NH+]1CCCC1 ZINC000719188689 656234472 /nfs/dbraw/zinc/23/44/72/656234472.db2.gz CTRWVIHIQXZNKA-UHFFFAOYSA-N 2 0 251.334 -0.296 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000719192304 656234744 /nfs/dbraw/zinc/23/47/44/656234744.db2.gz NIIBIEYAIZOZND-SNVBAGLBSA-N 2 0 251.334 -0.297 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NCC(C)(C)[NH+](C)C ZINC000719255112 656234786 /nfs/dbraw/zinc/23/47/86/656234786.db2.gz BAONTCCSLJYBDS-UHFFFAOYSA-N 2 0 253.350 -0.051 20 0 CBADRP COC1(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC[NH2+]CC1 ZINC000877380126 656246091 /nfs/dbraw/zinc/24/60/91/656246091.db2.gz UCWFSOHOWQWWTM-WCQYABFASA-N 2 0 267.373 -0.177 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000884787632 656254902 /nfs/dbraw/zinc/25/49/02/656254902.db2.gz XTBDIICQPRWXJC-UPJWGTAASA-N 2 0 296.415 -0.360 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(CC)[C@@H]2CC[NH2+]C2)C1 ZINC000884787051 656255149 /nfs/dbraw/zinc/25/51/49/656255149.db2.gz FJDHHAAOQPWVPU-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000884787561 656255202 /nfs/dbraw/zinc/25/52/02/656255202.db2.gz VOFXGBJJECVHFP-SRVKXCTJSA-N 2 0 280.372 -0.840 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC[C@@H]21 ZINC000885192863 656259737 /nfs/dbraw/zinc/25/97/37/656259737.db2.gz KLJVVFVYTPKPMG-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000890066656 656270555 /nfs/dbraw/zinc/27/05/55/656270555.db2.gz XDAGCVLMTMDWQK-WCQYABFASA-N 2 0 270.377 -0.554 20 0 CBADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1C[NH+](C)CCN1C ZINC000896560800 656289938 /nfs/dbraw/zinc/28/99/38/656289938.db2.gz TVRLEDPSCZTCHG-AVGNSLFASA-N 2 0 268.405 -0.311 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000900836997 656312927 /nfs/dbraw/zinc/31/29/27/656312927.db2.gz XWOJZCCYXXGJOK-OCCSQVGLSA-N 2 0 287.404 -0.474 20 0 CBADRP [NH3+]CCOCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903508851 656321936 /nfs/dbraw/zinc/32/19/36/656321936.db2.gz XIYHPDLVWBRZGP-GASCZTMLSA-N 3 0 282.432 -0.138 20 0 CBADRP CN(C[C@H](O)C[NH3+])C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903752392 656321962 /nfs/dbraw/zinc/32/19/62/656321962.db2.gz SHHDCZYUZBATCW-NEPJUHHUSA-N 2 0 257.378 -0.604 20 0 CBADRP NC(=O)COc1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000904397204 656325781 /nfs/dbraw/zinc/32/57/81/656325781.db2.gz BLMXZIFYIHQGIP-UHFFFAOYSA-N 2 0 292.383 -0.455 20 0 CBADRP COC(=O)c1cc(CN2CC[NH2+]CC[NH2+]CC2)c[nH]1 ZINC000904396549 656325977 /nfs/dbraw/zinc/32/59/77/656325977.db2.gz KQKRGJGOCGSGGF-UHFFFAOYSA-N 2 0 266.345 -0.204 20 0 CBADRP C[C@]12C[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C[C@@]1(C)C(=O)NC2=O ZINC000904385425 656326262 /nfs/dbraw/zinc/32/62/62/656326262.db2.gz YNGHIHXSKUSAIR-KGOITJQVSA-N 2 0 251.330 -0.292 20 0 CBADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)CC[NH2+]1 ZINC000904429183 656326896 /nfs/dbraw/zinc/32/68/96/656326896.db2.gz YRUDBTYWHKEEDO-UTUOFQBUSA-N 2 0 275.418 -0.015 20 0 CBADRP C[C@@H]1CN(CC23CC(C2)C[NH2+]3)C[C@H]1CS(N)(=O)=O ZINC000904461505 656327381 /nfs/dbraw/zinc/32/73/81/656327381.db2.gz CABXDLLPZBLWHC-ZYGVAYEYSA-N 2 0 273.402 -0.405 20 0 CBADRP CN1CCN(c2ncc(CNCC3([NH3+])CC3)cn2)CC1 ZINC000904449071 656327985 /nfs/dbraw/zinc/32/79/85/656327985.db2.gz FMDHHXBVKFANGE-UHFFFAOYSA-N 2 0 276.388 -0.191 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000904958238 656330644 /nfs/dbraw/zinc/33/06/44/656330644.db2.gz IPEVPTWVXJBWRZ-NSHDSACASA-N 2 0 286.420 -0.162 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000904958758 656330799 /nfs/dbraw/zinc/33/07/99/656330799.db2.gz MQIZAUHWZCTULP-UHIISALHSA-N 2 0 282.388 -0.798 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000904972554 656331149 /nfs/dbraw/zinc/33/11/49/656331149.db2.gz LNIFAGJNQNZCQC-SWLSCSKDSA-N 2 0 296.415 -0.264 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000905016343 656334411 /nfs/dbraw/zinc/33/44/11/656334411.db2.gz ZLVBZBRQOSUKJX-AWEZNQCLSA-N 2 0 282.388 -0.639 20 0 CBADRP CC[NH+]1CCC([NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905028892 656335246 /nfs/dbraw/zinc/33/52/46/656335246.db2.gz WPNLZRJAUKGTFL-UONOGXRCSA-N 2 0 272.389 -0.037 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NCCCN2CCOCC2)C1 ZINC000905046343 656335518 /nfs/dbraw/zinc/33/55/18/656335518.db2.gz NJOUKDDGOASTCG-UHFFFAOYSA-N 2 0 298.431 -0.682 20 0 CBADRP [NH2+]=C(NC[C@H]1CCCS1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000905045600 656335665 /nfs/dbraw/zinc/33/56/65/656335665.db2.gz DDNLSOFLYYLBMP-VXGBXAGGSA-N 2 0 283.445 -0.004 20 0 CBADRP [NH2+]=C(NC[C@@H]1CCCS1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000905045579 656335690 /nfs/dbraw/zinc/33/56/90/656335690.db2.gz DDNLSOFLYYLBMP-NEPJUHHUSA-N 2 0 283.445 -0.004 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905095095 656337896 /nfs/dbraw/zinc/33/78/96/656337896.db2.gz HYNRCTMBLJOGGM-CHWSQXEVSA-N 2 0 271.405 -0.512 20 0 CBADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905108940 656339209 /nfs/dbraw/zinc/33/92/09/656339209.db2.gz AINKDISGBRAHAM-FRRDWIJNSA-N 2 0 260.378 -0.181 20 0 CBADRP C[NH+](C)CCOCC[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905201990 656345462 /nfs/dbraw/zinc/34/54/62/656345462.db2.gz QMSCKTUMCHNEAC-GFCCVEGCSA-N 2 0 276.377 -0.943 20 0 CBADRP C[NH2+]C[C@@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905331029 656349236 /nfs/dbraw/zinc/34/92/36/656349236.db2.gz XUGJEIOGDMYDCV-LBPRGKRZSA-N 2 0 275.418 -0.143 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NCC1CC[NH2+]CC1 ZINC000905330203 656349569 /nfs/dbraw/zinc/34/95/69/656349569.db2.gz PJTYIEHXQFVIDW-UHFFFAOYSA-N 2 0 275.418 -0.095 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000905343453 656350738 /nfs/dbraw/zinc/35/07/38/656350738.db2.gz HWIZCFVXIWZJBR-STQMWFEESA-N 2 0 287.429 0.000 20 0 CBADRP [NH3+]C1(CNS(=O)(=O)CC2CC[NH2+]CC2)CCC1 ZINC000905344379 656351025 /nfs/dbraw/zinc/35/10/25/656351025.db2.gz YSMFPGBMBQTCBZ-UHFFFAOYSA-N 2 0 261.391 -0.213 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905344650 656351135 /nfs/dbraw/zinc/35/11/35/656351135.db2.gz QDPYWZARNDBRCZ-ZYHUDNBSSA-N 2 0 275.418 -0.097 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000905344996 656351369 /nfs/dbraw/zinc/35/13/69/656351369.db2.gz SRKQCQLNYDWHKE-GFCCVEGCSA-N 2 0 291.417 -0.716 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905358037 656352962 /nfs/dbraw/zinc/35/29/62/656352962.db2.gz CYBUTHFRAUCHEF-MWLCHTKSSA-N 2 0 261.391 -0.263 20 0 CBADRP C[NH2+]CCOCCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905361566 656353770 /nfs/dbraw/zinc/35/37/70/656353770.db2.gz HJBMLCXAJWGHPD-UHFFFAOYSA-N 2 0 279.406 -0.859 20 0 CBADRP CC1(C)CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000905362110 656353806 /nfs/dbraw/zinc/35/38/06/656353806.db2.gz LSGQTEXWHIMTSF-NSHDSACASA-N 2 0 275.418 -0.015 20 0 CBADRP CCN1CC[C@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000905443003 656357643 /nfs/dbraw/zinc/35/76/43/656357643.db2.gz XERHGXUEPZWYBG-KBPBESRZSA-N 2 0 270.421 -0.722 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000905505521 656360043 /nfs/dbraw/zinc/36/00/43/656360043.db2.gz FKMKHEAPYUHERD-HZSPNIEDSA-N 2 0 299.415 -0.474 20 0 CBADRP Cn1nnc2c1C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CC2 ZINC000905633959 656364371 /nfs/dbraw/zinc/36/43/71/656364371.db2.gz OYJVVBXYKDJYAH-VXGBXAGGSA-N 2 0 279.388 -0.281 20 0 CBADRP Cn1nnnc1CCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000905677209 656365452 /nfs/dbraw/zinc/36/54/52/656365452.db2.gz CAKIOFRTIVXYLM-NSHDSACASA-N 2 0 268.365 -0.811 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCN2CCC(C)(C)C2)CC1 ZINC000905678952 656365612 /nfs/dbraw/zinc/36/56/12/656365612.db2.gz NQIJWTOMMNSMLB-HNNXBMFYSA-N 2 0 298.475 -0.084 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000906360961 656385391 /nfs/dbraw/zinc/38/53/91/656385391.db2.gz BKLPQHPNNDAEQK-CYBMUJFWSA-N 2 0 282.432 -0.062 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906678237 656396822 /nfs/dbraw/zinc/39/68/22/656396822.db2.gz DHKWCIBUPVMZKX-LBPRGKRZSA-N 2 0 270.421 -0.064 20 0 CBADRP CC(C)[N@H+](C)CCNC(=O)C1CN(C)CC[NH+](C)C1 ZINC000906682700 656397482 /nfs/dbraw/zinc/39/74/82/656397482.db2.gz ROABIUHYRYVYMU-UHFFFAOYSA-N 2 0 270.421 -0.064 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906882937 656404726 /nfs/dbraw/zinc/40/47/26/656404726.db2.gz QHTDJOUTXARYGN-UHFFFAOYSA-N 2 0 256.394 -0.500 20 0 CBADRP CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1)[NH+](C)C ZINC000996250783 656405245 /nfs/dbraw/zinc/40/52/45/656405245.db2.gz XVHQGEWXAGZKOP-DGCLKSJQSA-N 2 0 298.431 -0.116 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000996517083 656417917 /nfs/dbraw/zinc/41/79/17/656417917.db2.gz DEFOMPVJKWXMER-NWDGAFQWSA-N 2 0 296.415 -0.360 20 0 CBADRP NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000996561481 656418446 /nfs/dbraw/zinc/41/84/46/656418446.db2.gz PLYVLGHJUOQDBJ-ZDUSSCGKSA-N 2 0 294.399 -0.606 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000996614399 656447721 /nfs/dbraw/zinc/44/77/21/656447721.db2.gz NCBVPEOCHISPKC-QWRGUYRKSA-N 2 0 282.388 -0.750 20 0 CBADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1)C(N)=O ZINC000996679115 656451555 /nfs/dbraw/zinc/45/15/55/656451555.db2.gz PXWQTQWEJCNNHI-ZWNOBZJWSA-N 2 0 296.415 -0.219 20 0 CBADRP CC[C@H](C(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1)[NH+](C)C ZINC000996712650 656454341 /nfs/dbraw/zinc/45/43/41/656454341.db2.gz RDQVUSAPUZKHSU-QWHCGFSZSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+]1CCC(C(=O)N2CCC([NH2+]CC(N)=O)CC2)CC1 ZINC000996945211 656461927 /nfs/dbraw/zinc/46/19/27/656461927.db2.gz GSYNJYMRROYMHW-UHFFFAOYSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@H]([NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1)C(N)=O ZINC000996946071 656461972 /nfs/dbraw/zinc/46/19/72/656461972.db2.gz NWUXLISTQMMKGQ-NSHDSACASA-N 2 0 296.415 -0.217 20 0 CBADRP CC1CC[NH+](CC(=O)N2CCC([NH2+]CC(N)=O)CC2)CC1 ZINC000997116337 656467668 /nfs/dbraw/zinc/46/76/68/656467668.db2.gz WOVYLSMIAQURLC-UHFFFAOYSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000997179164 656469119 /nfs/dbraw/zinc/46/91/19/656469119.db2.gz GUVKRGSZOOIMLH-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC000997297379 656472033 /nfs/dbraw/zinc/47/20/33/656472033.db2.gz FRGDVZUDEUSHOZ-DGCLKSJQSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]([NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1)C(N)=O ZINC000997306303 656472527 /nfs/dbraw/zinc/47/25/27/656472527.db2.gz CDXKJIDBAKRUFE-LLVKDONJSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997361603 656473972 /nfs/dbraw/zinc/47/39/72/656473972.db2.gz WQVGFHFYAXFNEW-TXEJJXNPSA-N 2 0 296.415 -0.075 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000907386529 656498627 /nfs/dbraw/zinc/49/86/27/656498627.db2.gz DXVRHEICTUGIQQ-KGLIPLIRSA-N 2 0 285.388 -0.984 20 0 CBADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC(N)=O)CC1 ZINC000997868971 656500291 /nfs/dbraw/zinc/50/02/91/656500291.db2.gz XSFOXBTUIOTBGF-AAEUAGOBSA-N 2 0 296.415 -0.360 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000907448491 656507802 /nfs/dbraw/zinc/50/78/02/656507802.db2.gz OGRDWQAEGICSQD-TZMCWYRMSA-N 2 0 269.389 -0.006 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000907448489 656508506 /nfs/dbraw/zinc/50/85/06/656508506.db2.gz OGRDWQAEGICSQD-JSGCOSHPSA-N 2 0 269.389 -0.006 20 0 CBADRP C[C@@H](O)CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000907515561 656517975 /nfs/dbraw/zinc/51/79/75/656517975.db2.gz MWLQHPMIILNMEF-XQQFMLRXSA-N 2 0 269.389 -0.006 20 0 CBADRP C[C@@H](O)CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000907515559 656518040 /nfs/dbraw/zinc/51/80/40/656518040.db2.gz MWLQHPMIILNMEF-UPJWGTAASA-N 2 0 269.389 -0.006 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2cnc[nH]2)[C@H](C)C1 ZINC000907515311 656518760 /nfs/dbraw/zinc/51/87/60/656518760.db2.gz AUDMVWDPOGFMOQ-GHMZBOCLSA-N 2 0 266.345 -0.134 20 0 CBADRP C[N@@H+]1CCC[C@](O)(CC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000907618181 656541620 /nfs/dbraw/zinc/54/16/20/656541620.db2.gz UEKGOPRGYAHVKH-HNNXBMFYSA-N 2 0 299.415 -0.328 20 0 CBADRP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000907780436 656574080 /nfs/dbraw/zinc/57/40/80/656574080.db2.gz FBBLMYUKFVSGLG-BPLDGKMQSA-N 2 0 299.415 -0.643 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCN1CC=CCC1 ZINC000907887608 656604770 /nfs/dbraw/zinc/60/47/70/656604770.db2.gz PVUQYBVTPMIHPN-GXTWGEPZSA-N 2 0 267.373 -0.180 20 0 CBADRP C[C@@H]([NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC000999339426 656623949 /nfs/dbraw/zinc/62/39/49/656623949.db2.gz LWKZRYYAVHVTJL-QFWMXSHPSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC000999350075 656625645 /nfs/dbraw/zinc/62/56/45/656625645.db2.gz WQMRBMZRQSBLJP-NWDGAFQWSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC000999350077 656626030 /nfs/dbraw/zinc/62/60/30/656626030.db2.gz WQMRBMZRQSBLJP-VXGBXAGGSA-N 2 0 296.415 -0.075 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC000999435332 656629486 /nfs/dbraw/zinc/62/94/86/656629486.db2.gz RRTRBOZRJUZMDK-AAEUAGOBSA-N 2 0 284.404 -0.362 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC000999435340 656629908 /nfs/dbraw/zinc/62/99/08/656629908.db2.gz RRTRBOZRJUZMDK-YPMHNXCESA-N 2 0 284.404 -0.362 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCO)C1)[NH+](C)C ZINC000999488790 656631230 /nfs/dbraw/zinc/63/12/30/656631230.db2.gz HFPKIEYKGWMCDI-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000999513264 656632119 /nfs/dbraw/zinc/63/21/19/656632119.db2.gz RSJROXANOJKGGD-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]CC(N)=O)C1 ZINC000999710141 656646498 /nfs/dbraw/zinc/64/64/98/656646498.db2.gz SHTRXVAQZSXFMS-UHFFFAOYSA-N 2 0 280.372 -0.854 20 0 CBADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]CCO)C1 ZINC000999831922 656654461 /nfs/dbraw/zinc/65/44/61/656654461.db2.gz NVUJSDBEIGJMSS-VOMCLLRMSA-N 2 0 255.362 -0.491 20 0 CBADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]CC(N)=O)C1 ZINC000999833601 656654471 /nfs/dbraw/zinc/65/44/71/656654471.db2.gz AAWHWSGASXQBID-KPPDAEKUSA-N 2 0 268.361 -0.998 20 0 CBADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]CCO)C1 ZINC000999832780 656655571 /nfs/dbraw/zinc/65/55/71/656655571.db2.gz IIDVMCYNKKHNQL-UHFFFAOYSA-N 2 0 255.362 -0.347 20 0 CBADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]CC(N)=O)C1 ZINC000999833603 656656169 /nfs/dbraw/zinc/65/61/69/656656169.db2.gz AAWHWSGASXQBID-WHXUTIOJSA-N 2 0 268.361 -0.998 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)[NH+](C)C ZINC000908200584 656664943 /nfs/dbraw/zinc/66/49/43/656664943.db2.gz JSJDWLLVTVFQOS-AVGNSLFASA-N 2 0 269.389 -0.006 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000908201955 656669003 /nfs/dbraw/zinc/66/90/03/656669003.db2.gz NNMPTVDLKCZYEE-AVGNSLFASA-N 2 0 267.373 -0.252 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001000020858 656680016 /nfs/dbraw/zinc/68/00/16/656680016.db2.gz QREWMDMEJYTBSJ-AVGNSLFASA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001000198845 656703482 /nfs/dbraw/zinc/70/34/82/656703482.db2.gz LMPNWRUUTBKYSX-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000908363565 656711914 /nfs/dbraw/zinc/71/19/14/656711914.db2.gz RCLLAUXHDGSHCC-YUELXQCFSA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000908414688 656721761 /nfs/dbraw/zinc/72/17/61/656721761.db2.gz KRGDNLLYCRPTTG-CZXHOFHRSA-N 2 0 269.389 -0.008 20 0 CBADRP CC1CC[NH+](CC(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC001000531040 656731992 /nfs/dbraw/zinc/73/19/92/656731992.db2.gz JOHFAMSTCBJVDA-CYBMUJFWSA-N 2 0 296.415 -0.216 20 0 CBADRP COCC[NH+]1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000908705213 656756823 /nfs/dbraw/zinc/75/68/23/656756823.db2.gz BLRNTBHYINRACO-AWEZNQCLSA-N 2 0 271.405 -0.293 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001000918411 656773805 /nfs/dbraw/zinc/77/38/05/656773805.db2.gz DZDPUFJCHUGGKA-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001000936629 656777639 /nfs/dbraw/zinc/77/76/39/656777639.db2.gz GXYUNJUCDJEDQY-KGLIPLIRSA-N 2 0 299.415 -0.472 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001001007441 656785071 /nfs/dbraw/zinc/78/50/71/656785071.db2.gz KMYIJFGCAWWGRX-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C[C@]3(O)CCC[N@H+](C)C3)C[C@H]21 ZINC000909146027 656785295 /nfs/dbraw/zinc/78/52/95/656785295.db2.gz MRAUQDPVTZZKHA-PAPYEOQZSA-N 2 0 281.400 -0.148 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1=CC[NH+](CCO)CC1 ZINC001001151135 656801030 /nfs/dbraw/zinc/80/10/30/656801030.db2.gz LCWZJFCRQMWWHM-OCCSQVGLSA-N 2 0 281.400 -0.075 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+](CC(N)=O)CC2)C1 ZINC001002122121 656826617 /nfs/dbraw/zinc/82/66/17/656826617.db2.gz ZJTUMDWWGRCRFJ-LBPRGKRZSA-N 2 0 282.388 -0.748 20 0 CBADRP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001002475165 656835036 /nfs/dbraw/zinc/83/50/36/656835036.db2.gz KSDBALGJFUCDAV-STQMWFEESA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001003627993 656865707 /nfs/dbraw/zinc/86/57/07/656865707.db2.gz LIDCSXSNWUBWOL-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001004147864 656881243 /nfs/dbraw/zinc/88/12/43/656881243.db2.gz MOCNSEOZLNUZNA-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP O=C(C[NH+]1CCCC1)NC1CC[NH+](CCO)CC1 ZINC001004148669 656881373 /nfs/dbraw/zinc/88/13/73/656881373.db2.gz VIZRTPVGCCKPHD-UHFFFAOYSA-N 2 0 255.362 -0.345 20 0 CBADRP CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004150327 656881546 /nfs/dbraw/zinc/88/15/46/656881546.db2.gz RAXFJIZNDWSXAK-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000910969322 656914431 /nfs/dbraw/zinc/91/44/31/656914431.db2.gz GHQXRRFQCWABNL-UHFFFAOYSA-N 2 0 296.415 -0.027 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000910976320 656918549 /nfs/dbraw/zinc/91/85/49/656918549.db2.gz HXJMALZIUHFEHA-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000911007139 656928379 /nfs/dbraw/zinc/92/83/79/656928379.db2.gz HKYYNOFWUNRICE-LPWJVIDDSA-N 2 0 296.415 -0.362 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000911007930 656928467 /nfs/dbraw/zinc/92/84/67/656928467.db2.gz LFCLZQSFQSMWNL-NDBYEHHHSA-N 2 0 296.415 -0.443 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000911006627 656928948 /nfs/dbraw/zinc/92/89/48/656928948.db2.gz GFRZISDEQLWCKK-SRVKXCTJSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C[C@H]1[NH3+] ZINC000911015592 656931110 /nfs/dbraw/zinc/93/11/10/656931110.db2.gz QKZFURZNFJMOSP-FRRDWIJNSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000911072204 656939308 /nfs/dbraw/zinc/93/93/08/656939308.db2.gz HBZLJOYWXKKEIC-FRRDWIJNSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911072276 656939545 /nfs/dbraw/zinc/93/95/45/656939545.db2.gz IIOLZISWUDAKGR-RWMBFGLXSA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911072350 656939624 /nfs/dbraw/zinc/93/96/24/656939624.db2.gz JLAVCPVCRDOAHD-OUAUKWLOSA-N 2 0 270.377 -0.752 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911072340 656939854 /nfs/dbraw/zinc/93/98/54/656939854.db2.gz JCPCYLKHLJRQRM-TUAOUCFPSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911073277 656940407 /nfs/dbraw/zinc/94/04/07/656940407.db2.gz RGECCNRYYQTRJA-MNOVXSKESA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911072977 656940482 /nfs/dbraw/zinc/94/04/82/656940482.db2.gz OEPQPHAHVDQYFW-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000911081986 656942769 /nfs/dbraw/zinc/94/27/69/656942769.db2.gz ZBTXOGNXQUHENA-XQQFMLRXSA-N 2 0 296.415 -0.075 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911091641 656945162 /nfs/dbraw/zinc/94/51/62/656945162.db2.gz NWZPIVXTBOWHJJ-LBPRGKRZSA-N 2 0 296.415 -0.170 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911091640 656945668 /nfs/dbraw/zinc/94/56/68/656945668.db2.gz NWZPIVXTBOWHJJ-GFCCVEGCSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CCC1 ZINC000911112646 656950407 /nfs/dbraw/zinc/95/04/07/656950407.db2.gz GCQHKZQZBTXXGR-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CCC1 ZINC000911116645 656953673 /nfs/dbraw/zinc/95/36/73/656953673.db2.gz SUZWSRDSEJUWOJ-NSHDSACASA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCC1 ZINC000911117476 656955359 /nfs/dbraw/zinc/95/53/59/656955359.db2.gz XHDDDBPBFYKVCL-QJPTWQEYSA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911144511 656963768 /nfs/dbraw/zinc/96/37/68/656963768.db2.gz AAYYQMACKONBOW-ZPFDUUQYSA-N 2 0 294.399 -0.561 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000911148235 656965269 /nfs/dbraw/zinc/96/52/69/656965269.db2.gz VNKLEOXSVJOLCF-SDDRHHMPSA-N 2 0 294.399 -0.323 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000911163805 656968291 /nfs/dbraw/zinc/96/82/91/656968291.db2.gz ZIRAQWUJYJIDRL-JOCQHMNTSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)[N@H+](C)C1CC1 ZINC000911204422 656984380 /nfs/dbraw/zinc/98/43/80/656984380.db2.gz COGYEQDFEJRYAL-CMPLNLGQSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)[N@H+](C)C1CC1 ZINC000911206660 656984741 /nfs/dbraw/zinc/98/47/41/656984741.db2.gz RVUAOJDPJNVUFJ-ZYHUDNBSSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H]1[NH3+] ZINC000911214500 656986639 /nfs/dbraw/zinc/98/66/39/656986639.db2.gz GHDQRLWEJVQWBG-MROQNXINSA-N 2 0 294.399 -0.465 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911244016 656995015 /nfs/dbraw/zinc/99/50/15/656995015.db2.gz FDIJWCNMRPYCEM-XYPYZODXSA-N 2 0 270.377 -0.702 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911243975 656995225 /nfs/dbraw/zinc/99/52/25/656995225.db2.gz DCBFQHCMQGWCOQ-CHWSQXEVSA-N 2 0 298.431 -0.194 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000911244845 656996293 /nfs/dbraw/zinc/99/62/93/656996293.db2.gz SIMXRJMUCBGOHQ-WFASDCNBSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911255251 657000062 /nfs/dbraw/zinc/00/00/62/657000062.db2.gz JGUXNHWSYXUIDU-FRRDWIJNSA-N 2 0 296.415 -0.156 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911255900 657000076 /nfs/dbraw/zinc/00/00/76/657000076.db2.gz NVEDOEZKSULELV-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000911268718 657002773 /nfs/dbraw/zinc/00/27/73/657002773.db2.gz FGFZNSHDQWCMAN-XQHKEYJVSA-N 2 0 294.399 -0.547 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000911269980 657004102 /nfs/dbraw/zinc/00/41/02/657004102.db2.gz FLIVFCDTJVUCOW-UHFFFAOYSA-N 2 0 286.420 -0.242 20 0 CBADRP Cc1cccc(NCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)n1 ZINC000911272675 657005632 /nfs/dbraw/zinc/00/56/32/657005632.db2.gz DSZSPMOSXPGBQN-LLVKDONJSA-N 2 0 291.355 -0.604 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000911271718 657005926 /nfs/dbraw/zinc/00/59/26/657005926.db2.gz JYODDGWPFAQSSV-GUTXKFCHSA-N 2 0 299.415 -0.596 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)C[C@]2(C)C1 ZINC000911273886 657006740 /nfs/dbraw/zinc/00/67/40/657006740.db2.gz METJWWOTWQJSPU-XUJVJEKNSA-N 2 0 294.399 -0.750 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911283103 657009719 /nfs/dbraw/zinc/00/97/19/657009719.db2.gz VKALMLIQJNHBIU-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000911282456 657010096 /nfs/dbraw/zinc/01/00/96/657010096.db2.gz QUUIYEXJDDNYHI-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000911295489 657013048 /nfs/dbraw/zinc/01/30/48/657013048.db2.gz GJBBPIQUAYWSLT-GFCCVEGCSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000911295744 657013474 /nfs/dbraw/zinc/01/34/74/657013474.db2.gz XRLGAWHIVURLFA-NSHDSACASA-N 2 0 286.420 -0.256 20 0 CBADRP CC(C)([NH3+])CNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911298357 657014001 /nfs/dbraw/zinc/01/40/01/657014001.db2.gz QGXKYWDBVHITED-UHFFFAOYSA-N 2 0 284.404 -0.312 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)C[C@]2(C)C1 ZINC000911299576 657015290 /nfs/dbraw/zinc/01/52/90/657015290.db2.gz ZYXJPXAIHDTENL-XUJVJEKNSA-N 2 0 294.399 -0.750 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911315504 657018418 /nfs/dbraw/zinc/01/84/18/657018418.db2.gz OBJRLRRCOUHFIJ-MCYUEQNJSA-N 2 0 296.415 -0.362 20 0 CBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911315505 657018605 /nfs/dbraw/zinc/01/86/05/657018605.db2.gz OBJRLRRCOUHFIJ-OXJKWZBOSA-N 2 0 296.415 -0.362 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000911324450 657020327 /nfs/dbraw/zinc/02/03/27/657020327.db2.gz CWDVNUZSROTYNI-GRYCIOLGSA-N 2 0 296.415 -0.362 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911331972 657021171 /nfs/dbraw/zinc/02/11/71/657021171.db2.gz MEZWHOQZRPSEED-LBPRGKRZSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911331971 657021369 /nfs/dbraw/zinc/02/13/69/657021369.db2.gz MEZWHOQZRPSEED-GFCCVEGCSA-N 2 0 296.415 -0.170 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000911338122 657023291 /nfs/dbraw/zinc/02/32/91/657023291.db2.gz YEJIBDFDMGGFTG-AGIUHOORSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911338299 657023362 /nfs/dbraw/zinc/02/33/62/657023362.db2.gz IXDWIYKJWOTRIV-UHIISALHSA-N 2 0 282.388 -0.879 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911339694 657024005 /nfs/dbraw/zinc/02/40/05/657024005.db2.gz WUIXMBDTEVZOJT-LLVKDONJSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000911369755 657029131 /nfs/dbraw/zinc/02/91/31/657029131.db2.gz BYWOCDHBPNUXPN-LPWJVIDDSA-N 2 0 296.415 -0.491 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911370433 657030000 /nfs/dbraw/zinc/03/00/00/657030000.db2.gz ZXKUQULVXWUVPT-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000911375169 657031013 /nfs/dbraw/zinc/03/10/13/657031013.db2.gz QSLQHRATDZTGRS-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000911377550 657031868 /nfs/dbraw/zinc/03/18/68/657031868.db2.gz ADYDHPYUUQOMKR-OLZOCXBDSA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000911381306 657033340 /nfs/dbraw/zinc/03/33/40/657033340.db2.gz XYLNKCZHSXMAGM-OLZOCXBDSA-N 2 0 296.415 -0.488 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911382271 657033416 /nfs/dbraw/zinc/03/34/16/657033416.db2.gz IUFDSIFWVIHJNC-OLZOCXBDSA-N 2 0 298.431 -0.194 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000911383805 657034413 /nfs/dbraw/zinc/03/44/13/657034413.db2.gz UKYNGLSMXFGOJM-NEPJUHHUSA-N 2 0 296.415 -0.489 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911486280 657054576 /nfs/dbraw/zinc/05/45/76/657054576.db2.gz ADCAEVOVRBDHSP-AGIUHOORSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911488396 657055626 /nfs/dbraw/zinc/05/56/26/657055626.db2.gz YRCQYHWFYGUEHG-FRRDWIJNSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CC1)C[NH+]1CCCCC1 ZINC000911503987 657057647 /nfs/dbraw/zinc/05/76/47/657057647.db2.gz SAYINNQKOMKJCU-LBPRGKRZSA-N 2 0 296.415 -0.168 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911503180 657057762 /nfs/dbraw/zinc/05/77/62/657057762.db2.gz MLRKPPHCIQIQIM-VXGBXAGGSA-N 2 0 294.399 -0.463 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911504848 657058795 /nfs/dbraw/zinc/05/87/95/657058795.db2.gz NTBQBCXXPGTJOI-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)[C@@H](C)C1 ZINC000911505387 657059851 /nfs/dbraw/zinc/05/98/51/657059851.db2.gz BXVUNCOKRQTOOS-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCC3([NH3+])CC3)CC[C@H]21 ZINC000911506599 657060189 /nfs/dbraw/zinc/06/01/89/657060189.db2.gz PMVOONGPRXKGCR-WDEREUQCSA-N 2 0 280.372 -0.854 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000911506637 657060635 /nfs/dbraw/zinc/06/06/35/657060635.db2.gz QNHLRVSOLPPLGI-LBPRGKRZSA-N 2 0 294.399 -0.462 20 0 CBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911506595 657060683 /nfs/dbraw/zinc/06/06/83/657060683.db2.gz PHHBQKKPTYHFKO-UHFFFAOYSA-N 2 0 282.388 -0.463 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911519824 657064914 /nfs/dbraw/zinc/06/49/14/657064914.db2.gz KZQILDLRMMSUSX-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911520884 657066031 /nfs/dbraw/zinc/06/60/31/657066031.db2.gz QQFWPKVKWNJREG-NSHDSACASA-N 2 0 284.404 -0.489 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)C1 ZINC000911531547 657068285 /nfs/dbraw/zinc/06/82/85/657068285.db2.gz HUROCAVSLOIYDZ-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000911531476 657068317 /nfs/dbraw/zinc/06/83/17/657068317.db2.gz HIMRNVWBDCACEM-LBPRGKRZSA-N 2 0 296.415 -0.358 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000911534622 657069392 /nfs/dbraw/zinc/06/93/92/657069392.db2.gz VPNHPXBXPNVRGX-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911533188 657069638 /nfs/dbraw/zinc/06/96/38/657069638.db2.gz NUKIQRYVVKZMQC-UHFFFAOYSA-N 2 0 284.404 -0.488 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911533067 657070364 /nfs/dbraw/zinc/07/03/64/657070364.db2.gz NBNVOIXIYJQXLV-HAQNSBGRSA-N 2 0 296.415 -0.312 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911540898 657073707 /nfs/dbraw/zinc/07/37/07/657073707.db2.gz BHQXFIPIWGIZPQ-CYZMBNFOSA-N 2 0 294.399 -0.452 20 0 CBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000911547683 657074935 /nfs/dbraw/zinc/07/49/35/657074935.db2.gz YYICXWMYCFPBKY-LBPRGKRZSA-N 2 0 294.399 -0.339 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911561005 657077706 /nfs/dbraw/zinc/07/77/06/657077706.db2.gz TXBXCSLSRJHXIK-JHJVBQTASA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911562364 657079147 /nfs/dbraw/zinc/07/91/47/657079147.db2.gz ACTYBBAMQSBVBJ-GMTAPVOTSA-N 2 0 268.361 -0.950 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911564174 657080355 /nfs/dbraw/zinc/08/03/55/657080355.db2.gz XBIGSIUGKPEKSB-JOCQHMNTSA-N 2 0 296.415 -0.216 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CCC[C@@H]([NH3+])C2)C1=O ZINC000911622243 657086706 /nfs/dbraw/zinc/08/67/06/657086706.db2.gz DEFBRNNKDDRKRJ-MNOVXSKESA-N 2 0 268.361 -0.867 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC000911625786 657087480 /nfs/dbraw/zinc/08/74/80/657087480.db2.gz YPQFXDMIEDCXBB-WZRBSPASSA-N 2 0 253.346 -0.438 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911627828 657087585 /nfs/dbraw/zinc/08/75/85/657087585.db2.gz AZTKUDZSGXVVDQ-FRRDWIJNSA-N 2 0 266.389 -0.747 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911628685 657088776 /nfs/dbraw/zinc/08/87/76/657088776.db2.gz CYIWRSCKHZLMDK-JSGCOSHPSA-N 2 0 266.389 -0.603 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC000911632920 657090612 /nfs/dbraw/zinc/09/06/12/657090612.db2.gz DOLASXMUVVHKOA-CHWSQXEVSA-N 2 0 296.415 -0.358 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC000911633292 657090804 /nfs/dbraw/zinc/09/08/04/657090804.db2.gz GOARKKSTLZKYQS-NWDGAFQWSA-N 2 0 254.378 -0.652 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC000911632921 657091157 /nfs/dbraw/zinc/09/11/57/657091157.db2.gz DOLASXMUVVHKOA-OLZOCXBDSA-N 2 0 296.415 -0.358 20 0 CBADRP O=C(C1=NO[C@]2(C1)CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC000911648921 657096343 /nfs/dbraw/zinc/09/63/43/657096343.db2.gz NUPNJUKBCBKUNE-LBPRGKRZSA-N 2 0 252.318 -0.683 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000911661461 657098327 /nfs/dbraw/zinc/09/83/27/657098327.db2.gz VBWGVPFJFIWDNF-GXFFZTMASA-N 2 0 266.345 -0.295 20 0 CBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1C[NH2+]CCN1C ZINC000911870776 657150831 /nfs/dbraw/zinc/15/08/31/657150831.db2.gz OUORNGLNSGYQQL-VXGBXAGGSA-N 2 0 256.394 -0.278 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N[C@H]1CCC[NH2+]C1 ZINC000911674807 657101953 /nfs/dbraw/zinc/10/19/53/657101953.db2.gz WTGNJIZKSVOMPH-JQWIXIFHSA-N 2 0 270.377 -0.656 20 0 CBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000911674595 657102111 /nfs/dbraw/zinc/10/21/11/657102111.db2.gz VJXYLECGXPKZNU-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[NH2+]CCCNC(=O)c1ccn(CCC[NH3+])n1 ZINC000911686045 657102916 /nfs/dbraw/zinc/10/29/16/657102916.db2.gz ZSGZNIYZLUYYTJ-UHFFFAOYSA-N 2 0 253.350 -0.039 20 0 CBADRP C[C@@H]1C[C@H](C(=O)NCCN2CC[NH2+]CC2)CC[NH2+]1 ZINC000911693481 657103113 /nfs/dbraw/zinc/10/31/13/657103113.db2.gz JPCJDQLYRMQOFB-VXGBXAGGSA-N 2 0 254.378 -0.604 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000911703302 657110483 /nfs/dbraw/zinc/11/04/83/657110483.db2.gz WWOXMXXVCFKVDU-AVGNSLFASA-N 2 0 294.399 -0.748 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)NC[C@H]1CCC[NH2+]C1 ZINC000911704920 657110709 /nfs/dbraw/zinc/11/07/09/657110709.db2.gz YOCODACLJFOSRC-WCQYABFASA-N 2 0 255.362 -0.393 20 0 CBADRP [NH3+]C[C@H]1CCCCN1C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000911713082 657111415 /nfs/dbraw/zinc/11/14/15/657111415.db2.gz FMJHGLVFSHUACH-YPMHNXCESA-N 2 0 255.362 -0.169 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)NC[C@@H]2CCCC[NH2+]2)C1=O ZINC000911715450 657113475 /nfs/dbraw/zinc/11/34/75/657113475.db2.gz XGWKEMSIWIVREO-NWDGAFQWSA-N 2 0 282.388 -0.558 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)NC[C@H]1CCCC[NH2+]1 ZINC000911713481 657114110 /nfs/dbraw/zinc/11/41/10/657114110.db2.gz JADGIBRIEMHETK-DGCLKSJQSA-N 2 0 255.362 -0.251 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000911718359 657114219 /nfs/dbraw/zinc/11/42/19/657114219.db2.gz AAHHEFBIMLNQOK-ZWNOBZJWSA-N 2 0 266.345 -0.295 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[NH3+])C1=O ZINC000911722636 657115280 /nfs/dbraw/zinc/11/52/80/657115280.db2.gz UMHAYCFEZXQAEJ-VXGBXAGGSA-N 2 0 282.388 -0.477 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC000911721854 657115516 /nfs/dbraw/zinc/11/55/16/657115516.db2.gz MGNGGXPKDJDTMC-JTQLQIEISA-N 2 0 266.345 -0.295 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC000911725559 657115723 /nfs/dbraw/zinc/11/57/23/657115723.db2.gz WMKCEKCHRLRLDO-GHMZBOCLSA-N 2 0 268.361 -0.996 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C23CCC(CC2)[NH2+]3)C1 ZINC000911729470 657117195 /nfs/dbraw/zinc/11/71/95/657117195.db2.gz HAVXFHBIFJJIBG-XIKARTHZSA-N 2 0 294.399 -0.416 20 0 CBADRP C[C@@]1(C(=O)NCc2ccc(CC[NH3+])cc2)C[C@@H](O)C[NH2+]1 ZINC000911735727 657119788 /nfs/dbraw/zinc/11/97/88/657119788.db2.gz ZFYRZYJIBJMJRR-HIFRSBDPSA-N 2 0 277.368 -0.083 20 0 CBADRP [NH3+]C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC000911733716 657119800 /nfs/dbraw/zinc/11/98/00/657119800.db2.gz BKJDJRIXDWWXIO-LOWVWBTDSA-N 2 0 253.346 -0.580 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000911736576 657119916 /nfs/dbraw/zinc/11/99/16/657119916.db2.gz MDQJJSDEQQHWGX-YPMHNXCESA-N 2 0 284.404 -0.314 20 0 CBADRP O=C(NCC[NH2+]C1CC1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911751884 657120526 /nfs/dbraw/zinc/12/05/26/657120526.db2.gz FGAPDRZZDBERLY-MFKMUULPSA-N 2 0 253.346 -0.519 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)NC[C@@H]2CCC[NH2+]2)n1 ZINC000911752284 657120573 /nfs/dbraw/zinc/12/05/73/657120573.db2.gz UBTMDSGFAFWFOE-JTQLQIEISA-N 2 0 251.334 -0.286 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)NC[C@@H]2CCC[NH2+]2)CCOCC1 ZINC000911753772 657122507 /nfs/dbraw/zinc/12/25/07/657122507.db2.gz GZRQSGAZVMMAQZ-QWRGUYRKSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC000911753801 657123072 /nfs/dbraw/zinc/12/30/72/657123072.db2.gz QRBDVKPXKXDHTJ-CMPLNLGQSA-N 2 0 254.378 -0.524 20 0 CBADRP O=C(NCC[NH2+]C1CC1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000911755638 657123144 /nfs/dbraw/zinc/12/31/44/657123144.db2.gz SRUQJVLIJPVHEX-CYBMUJFWSA-N 2 0 266.345 -0.247 20 0 CBADRP [NH3+]CCc1cnc2c(C(=O)NCC[NH2+]C3CC3)cnn2c1 ZINC000911754127 657123201 /nfs/dbraw/zinc/12/32/01/657123201.db2.gz ITEDVLBNBJXAFL-UHFFFAOYSA-N 2 0 288.355 -0.288 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000911764631 657124038 /nfs/dbraw/zinc/12/40/38/657124038.db2.gz NEWMIESDKRZTSQ-STQMWFEESA-N 2 0 262.357 -0.294 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)NCC[C@H]2CC[NH2+]C2)C1=O ZINC000911767994 657124616 /nfs/dbraw/zinc/12/46/16/657124616.db2.gz NUIZVASTKNJFHC-VXGBXAGGSA-N 2 0 282.388 -0.701 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)NCC[C@@H]1CC[NH2+]C1 ZINC000911766064 657124701 /nfs/dbraw/zinc/12/47/01/657124701.db2.gz FMNPDIAMXGTSGX-WCQYABFASA-N 2 0 255.362 -0.393 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)C1=CCC[NH2+]CC1 ZINC000911774835 657125350 /nfs/dbraw/zinc/12/53/50/657125350.db2.gz KOFAVOFHPHKTOI-UHFFFAOYSA-N 2 0 266.389 -0.340 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000911775394 657125689 /nfs/dbraw/zinc/12/56/89/657125689.db2.gz SKEGJBVFAWKGLS-OLZOCXBDSA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH2+]CC1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC000911778819 657127390 /nfs/dbraw/zinc/12/73/90/657127390.db2.gz VXVSAQFTESHGSM-CQSZACIVSA-N 2 0 269.389 -0.051 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[NH2+]1 ZINC000911810926 657136891 /nfs/dbraw/zinc/13/68/91/657136891.db2.gz NUNXRAYHIBDSBX-MNOVXSKESA-N 2 0 268.361 -0.996 20 0 CBADRP C[C@@H]1CN(C(=O)Cc2csc(C[NH3+])n2)CC[NH2+]1 ZINC000911809461 657136972 /nfs/dbraw/zinc/13/69/72/657136972.db2.gz JKWZSOSZROZVTM-MRVPVSSYSA-N 2 0 254.359 -0.035 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC[C@H]1[NH3+] ZINC000911819413 657140281 /nfs/dbraw/zinc/14/02/81/657140281.db2.gz DBGSMPPIRRBLIZ-BYNQJWBRSA-N 2 0 267.373 -0.192 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC000911827375 657141932 /nfs/dbraw/zinc/14/19/32/657141932.db2.gz WZGZASGSXSIFQI-SRVKXCTJSA-N 2 0 254.378 -0.524 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000911829742 657142370 /nfs/dbraw/zinc/14/23/70/657142370.db2.gz UTFXTRYPVYIDKZ-SFDCQRBFSA-N 2 0 281.400 -0.148 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000911842479 657144198 /nfs/dbraw/zinc/14/41/98/657144198.db2.gz XVVNIMOTYIXFEL-AWEZNQCLSA-N 2 0 280.416 -0.119 20 0 CBADRP CC[NH2+]CC1CCN(C(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC000911861027 657149086 /nfs/dbraw/zinc/14/90/86/657149086.db2.gz AWOAQDBWGHTGOF-CYBMUJFWSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000911884519 657156187 /nfs/dbraw/zinc/15/61/87/657156187.db2.gz RFBZKUGXEXUMEA-KKOKHZNYSA-N 2 0 255.362 -0.193 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C2=CCC[NH2+]CC2)CCO1 ZINC000911884047 657156405 /nfs/dbraw/zinc/15/64/05/657156405.db2.gz OZZBNZSYALAEMZ-ZYHUDNBSSA-N 2 0 253.346 -0.129 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CCO1 ZINC000911881867 657156729 /nfs/dbraw/zinc/15/67/29/657156729.db2.gz GYAKVZVJTTWEMM-BYNQJWBRSA-N 2 0 283.372 -0.813 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C23CCC(CC2)[NH2+]3)CCO1 ZINC000911885853 657157983 /nfs/dbraw/zinc/15/79/83/657157983.db2.gz ZMZXLVOVVFUAPX-MSLYCWSTSA-N 2 0 253.346 -0.154 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@H](O)C(C)(C)O ZINC000912386104 657246954 /nfs/dbraw/zinc/24/69/54/657246954.db2.gz AJVFALYBQDEZTM-NSHDSACASA-N 2 0 275.393 -0.882 20 0 CBADRP CN(CC[N@H+](C)CCO)C(=O)[C@H]1CCCC[NH+]1C ZINC000912607427 657296604 /nfs/dbraw/zinc/29/66/04/657296604.db2.gz UTRPXKXWTCYPQX-GFCCVEGCSA-N 2 0 257.378 -0.147 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)CCO)[NH+](C)C ZINC000912606677 657295752 /nfs/dbraw/zinc/29/57/52/657295752.db2.gz JXTCEAYWJSABIN-LBPRGKRZSA-N 2 0 259.394 -0.045 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@H]([NH+]3CCC3)C2)CC1 ZINC000912916227 657359531 /nfs/dbraw/zinc/35/95/31/657359531.db2.gz VNSQRGVPUMZTPV-AWEZNQCLSA-N 2 0 280.416 -0.070 20 0 CBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@H+](CCO)C2)n1 ZINC001014463116 657360819 /nfs/dbraw/zinc/36/08/19/657360819.db2.gz TVKOEOKCFIZBSB-LBPRGKRZSA-N 2 0 295.387 -0.759 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CCO)C2)CC[N@@H+]1C ZINC001014499801 657363209 /nfs/dbraw/zinc/36/32/09/657363209.db2.gz FVAQRWHYBBPCCY-FRRDWIJNSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CCCO)C2)CC[N@@H+]1C ZINC001014481994 657363270 /nfs/dbraw/zinc/36/32/70/657363270.db2.gz BUPYXFCVFGEMLS-JHJVBQTASA-N 2 0 269.389 -0.101 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC000912993220 657364715 /nfs/dbraw/zinc/36/47/15/657364715.db2.gz UDMBEQMRCLQIAO-LBPRGKRZSA-N 2 0 294.399 -0.462 20 0 CBADRP C[N@@H+]1CCC[C@](O)(CC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000913351628 657444501 /nfs/dbraw/zinc/44/45/01/657444501.db2.gz JHGUZFLGPWLRST-JSGCOSHPSA-N 2 0 285.388 -0.984 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCO)C2)CC1 ZINC001015655227 657503989 /nfs/dbraw/zinc/50/39/89/657503989.db2.gz LTLJAIDTRJNWGE-LBPRGKRZSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CCO)C2)C1 ZINC001015705083 657524530 /nfs/dbraw/zinc/52/45/30/657524530.db2.gz HTVMGUMVEPIJGZ-NWDGAFQWSA-N 2 0 255.362 -0.489 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](CCCO)C2)C1 ZINC001015997457 657626961 /nfs/dbraw/zinc/62/69/61/657626961.db2.gz CNJRUUVFOWUZJA-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](CCO)C2)C1 ZINC001015997667 657628622 /nfs/dbraw/zinc/62/86/22/657628622.db2.gz FRXVQVASELTKPX-NEPJUHHUSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016004496 657631789 /nfs/dbraw/zinc/63/17/89/657631789.db2.gz XYOLBWXPZXXQMH-NWDGAFQWSA-N 2 0 267.373 -0.347 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001016543376 657718206 /nfs/dbraw/zinc/71/82/06/657718206.db2.gz PDVPHEXHVJIIQT-NWDGAFQWSA-N 2 0 294.399 -0.463 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000916332811 657771640 /nfs/dbraw/zinc/77/16/40/657771640.db2.gz ZKIGGXVOFBWXDG-NWDGAFQWSA-N 2 0 272.393 -0.044 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1)[NH+](C)C ZINC001019035033 657858553 /nfs/dbraw/zinc/85/85/53/657858553.db2.gz WQWICSMGCJRAEF-SDDRHHMPSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C)C[NH+]1CCN(C)CC1 ZINC000920453111 657875987 /nfs/dbraw/zinc/87/59/87/657875987.db2.gz XRFGZMUGOHJROK-KGLIPLIRSA-N 2 0 297.447 -0.127 20 0 CBADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001019326098 657886009 /nfs/dbraw/zinc/88/60/09/657886009.db2.gz AUOXGHLPIXUNSP-STQMWFEESA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019380651 657891611 /nfs/dbraw/zinc/89/16/11/657891611.db2.gz IEAUDZSGOPOCLK-MNOVXSKESA-N 2 0 268.361 -0.854 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1)[NH+](C)C ZINC001019397183 657892689 /nfs/dbraw/zinc/89/26/89/657892689.db2.gz NCVNEOCIKBBMTI-XQQFMLRXSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC001019394628 657893246 /nfs/dbraw/zinc/89/32/46/657893246.db2.gz LANRRYMPFWGQQT-VWYCJHECSA-N 2 0 270.377 -0.609 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001019394308 657893352 /nfs/dbraw/zinc/89/33/52/657893352.db2.gz FANLVGJIIJWUMC-XQQFMLRXSA-N 2 0 296.415 -0.252 20 0 CBADRP C[NH+]1CCC(CC(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001019469912 657897635 /nfs/dbraw/zinc/89/76/35/657897635.db2.gz UJMFUKSRKFBVOG-LBPRGKRZSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)C(N)=O ZINC001019469930 657897850 /nfs/dbraw/zinc/89/78/50/657897850.db2.gz VHBVBNVCBNHJPR-AAEUAGOBSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001019576222 657915683 /nfs/dbraw/zinc/91/56/83/657915683.db2.gz LIFYSQBFCFMPNT-STQMWFEESA-N 2 0 299.415 -0.332 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019664945 657927584 /nfs/dbraw/zinc/92/75/84/657927584.db2.gz VEVPSKAPPQWUEJ-NSHDSACASA-N 2 0 278.356 -0.056 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001019772817 657937913 /nfs/dbraw/zinc/93/79/13/657937913.db2.gz SJZHXXBQODSPJD-OLZOCXBDSA-N 2 0 292.387 -0.580 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001019771542 657938835 /nfs/dbraw/zinc/93/88/35/657938835.db2.gz RMZVBROKJHZKBX-STQMWFEESA-N 2 0 294.399 -0.639 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001019775868 657939078 /nfs/dbraw/zinc/93/90/78/657939078.db2.gz KGUJPRSLKANTEQ-STQMWFEESA-N 2 0 294.399 -0.449 20 0 CBADRP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001020026172 657985809 /nfs/dbraw/zinc/98/58/09/657985809.db2.gz JOBLXINGKZYVOS-GVXVVHGQSA-N 2 0 292.387 -0.354 20 0 CBADRP Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001020025724 657987533 /nfs/dbraw/zinc/98/75/33/657987533.db2.gz ZUCGNRIHGFBDDS-SRVKXCTJSA-N 2 0 292.387 -0.354 20 0 CBADRP CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1=O ZINC001020028559 657992288 /nfs/dbraw/zinc/99/22/88/657992288.db2.gz CLDPZTYMWPRUDL-LPWJVIDDSA-N 2 0 294.399 -0.452 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001020143752 658017759 /nfs/dbraw/zinc/01/77/59/658017759.db2.gz CUIBSZQGWVKMAL-ZDEQEGDKSA-N 2 0 296.415 -0.030 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)CC[N@@H+]1C ZINC001020171033 658021857 /nfs/dbraw/zinc/02/18/57/658021857.db2.gz KCLDKVUBBFUTQL-VEGXAWMVSA-N 2 0 294.399 -0.548 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(N)=O ZINC001020172139 658022087 /nfs/dbraw/zinc/02/20/87/658022087.db2.gz NXYKGGLUUJVEER-SYLRKERUSA-N 2 0 296.415 -0.173 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001020285974 658035348 /nfs/dbraw/zinc/03/53/48/658035348.db2.gz OBGSLPSMOIWFBX-HAQNSBGRSA-N 2 0 294.399 -0.416 20 0 CBADRP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001020406921 658047645 /nfs/dbraw/zinc/04/76/45/658047645.db2.gz GDCAPIOKBXUHBX-XWRJPITESA-N 2 0 295.383 -0.921 20 0 CBADRP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001020406922 658048057 /nfs/dbraw/zinc/04/80/57/658048057.db2.gz GDCAPIOKBXUHBX-YGFYLSKRSA-N 2 0 295.383 -0.921 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020590307 658075375 /nfs/dbraw/zinc/07/53/75/658075375.db2.gz RRFGRQKQTAFYMZ-KKOKHZNYSA-N 2 0 255.362 -0.587 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1)C(N)=O ZINC001020587858 658076224 /nfs/dbraw/zinc/07/62/24/658076224.db2.gz XIXZKVLBCXZPQZ-ZDEQEGDKSA-N 2 0 296.415 -0.029 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCC1([NH+](C)C)CC1 ZINC000923005185 658129138 /nfs/dbraw/zinc/12/91/38/658129138.db2.gz KZQOKDDZUZXQAJ-GFCCVEGCSA-N 2 0 272.393 -0.308 20 0 CBADRP Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001021047398 658134104 /nfs/dbraw/zinc/13/41/04/658134104.db2.gz BLIVNTZFCLPURV-IJLUTSLNSA-N 2 0 292.387 -0.496 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001021044039 658135199 /nfs/dbraw/zinc/13/51/99/658135199.db2.gz IKLWJSLLCJWZFC-AVGNSLFASA-N 2 0 292.387 -0.533 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001021047461 658138330 /nfs/dbraw/zinc/13/83/30/658138330.db2.gz DPZISFOFMXPMKM-ZDEQEGDKSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001021049323 658140135 /nfs/dbraw/zinc/14/01/35/658140135.db2.gz MEJJGVAIJFVQHX-WRWGMCAJSA-N 2 0 255.362 -0.444 20 0 CBADRP CSC[C@H](O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000923282215 658192995 /nfs/dbraw/zinc/19/29/95/658192995.db2.gz STXVNWBAUYAFMP-WDEREUQCSA-N 2 0 275.418 -0.503 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(N)=O ZINC001021211273 658158860 /nfs/dbraw/zinc/15/88/60/658158860.db2.gz UGVXJFONDFYTOO-PSEXLTFBSA-N 2 0 294.399 -0.323 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280922 658188173 /nfs/dbraw/zinc/18/81/73/658188173.db2.gz KCZNMRBFCLLEGG-QWHCGFSZSA-N 3 0 296.415 -0.848 20 0 CBADRP CCOC[C@H](O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283953 658189850 /nfs/dbraw/zinc/18/98/50/658189850.db2.gz ZPNXPXOORKFDMM-UONOGXRCSA-N 2 0 299.415 -0.472 20 0 CBADRP CN1CC(=O)N(CC[N@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000923294279 658193624 /nfs/dbraw/zinc/19/36/24/658193624.db2.gz JEFWESHJSIHGHY-UHFFFAOYSA-N 2 0 256.350 -0.203 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923288123 658193790 /nfs/dbraw/zinc/19/37/90/658193790.db2.gz XQKFOGXHUNHPNI-CYBMUJFWSA-N 3 0 268.405 -0.798 20 0 CBADRP C[C@H]([NH3+])C1CC[NH+](CCN2C(=O)CN(C)C2=O)CC1 ZINC000923284132 658194728 /nfs/dbraw/zinc/19/47/28/658194728.db2.gz HVJLHJLASZJRAV-JTQLQIEISA-N 2 0 268.361 -0.060 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923298488 658196956 /nfs/dbraw/zinc/19/69/56/658196956.db2.gz TWIFASVSHVPAMH-SDDRHHMPSA-N 2 0 255.362 -0.587 20 0 CBADRP COCC[NH+](CCOC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923299943 658200092 /nfs/dbraw/zinc/20/00/92/658200092.db2.gz JXFJOAOBAHBOPZ-LBPRGKRZSA-N 2 0 258.362 -0.040 20 0 CBADRP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923306185 658202425 /nfs/dbraw/zinc/20/24/25/658202425.db2.gz HXLFSJWJJAQANP-MNOVXSKESA-N 2 0 253.346 -0.425 20 0 CBADRP O=C1NCCN1[C@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923309161 658204151 /nfs/dbraw/zinc/20/41/51/658204151.db2.gz SUNWDJRPLNLFCJ-QWHCGFSZSA-N 2 0 294.399 -0.146 20 0 CBADRP c1cnnc(N2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)c1 ZINC000923324495 658212559 /nfs/dbraw/zinc/21/25/59/658212559.db2.gz WFSCBIMWDUEZMD-ZDUSSCGKSA-N 2 0 289.383 -0.023 20 0 CBADRP CCOCCOCC[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000923333275 658213718 /nfs/dbraw/zinc/21/37/18/658213718.db2.gz PZEJUTBDNPISRA-CQSZACIVSA-N 2 0 299.415 -0.064 20 0 CBADRP O[C@@H](Cn1cccn1)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923334547 658220819 /nfs/dbraw/zinc/22/08/19/658220819.db2.gz VWPIHPYLTQYGSA-CHWSQXEVSA-N 2 0 250.346 -0.071 20 0 CBADRP CN1CC(=O)N(CC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1=O ZINC000923334717 658222217 /nfs/dbraw/zinc/22/22/17/658222217.db2.gz XZABDAMQMGMUOM-AXFHLTTASA-N 2 0 266.345 -0.451 20 0 CBADRP CN1CC(=O)N(CC[N@H+](C)[C@H]2CCC[NH2+]CC2)C1=O ZINC000923335915 658222266 /nfs/dbraw/zinc/22/22/66/658222266.db2.gz SBMHTTXQWGLBLV-NSHDSACASA-N 2 0 268.361 -0.046 20 0 CBADRP CN(Cc1ccccc1F)C(=O)CNC(C[NH3+])C[NH3+] ZINC000923353611 658227222 /nfs/dbraw/zinc/22/72/22/658227222.db2.gz YVHANOIMMCWMBI-UHFFFAOYSA-N 2 0 268.336 -0.340 20 0 CBADRP Cn1nc(C(F)(F)F)cc1CNC(C[NH3+])C[NH3+] ZINC000923356365 658228782 /nfs/dbraw/zinc/22/87/82/658228782.db2.gz MCWQVRRZNVUDHT-UHFFFAOYSA-N 2 0 251.256 -0.186 20 0 CBADRP Cc1cc(C)cc(OC[C@H](O)CNC(C[NH3+])C[NH3+])c1 ZINC000923356913 658230589 /nfs/dbraw/zinc/23/05/89/658230589.db2.gz QPEQXBFDHOAELX-CYBMUJFWSA-N 2 0 267.373 -0.081 20 0 CBADRP CSC[C@@H](O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923366236 658235123 /nfs/dbraw/zinc/23/51/23/658235123.db2.gz IGXNHQLJPPQGRO-RYUDHWBXSA-N 2 0 259.419 -0.310 20 0 CBADRP C[N@H+](C[C@@H](O)COC[C@H]1CCCO1)C1CC([NH3+])C1 ZINC000923363662 658236865 /nfs/dbraw/zinc/23/68/65/658236865.db2.gz XINMYCFVTBONLB-FIYWTHMPSA-N 2 0 258.362 -0.036 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN[C@@H]1CC[NH2+]CC1(C)C ZINC000923371056 658241699 /nfs/dbraw/zinc/24/16/99/658241699.db2.gz UTIJOLBFRUALEO-QWHCGFSZSA-N 2 0 273.421 -0.097 20 0 CBADRP Cn1cc(CN2CCC[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)cn1 ZINC000923370225 658242082 /nfs/dbraw/zinc/24/20/82/658242082.db2.gz SLZJTNFZPTURHN-KKUMJFAQSA-N 2 0 293.415 -0.222 20 0 CBADRP CC(=O)N[C@@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923386235 658249953 /nfs/dbraw/zinc/24/99/53/658249953.db2.gz LQBZEYJJHHFNBD-VXGBXAGGSA-N 2 0 253.346 -0.425 20 0 CBADRP c1cn(C[C@@H]2CC[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C2)nn1 ZINC000923387600 658250940 /nfs/dbraw/zinc/25/09/40/658250940.db2.gz WWDXUVSJHMAPBA-OLZOCXBDSA-N 2 0 277.372 -0.022 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923396481 658252702 /nfs/dbraw/zinc/25/27/02/658252702.db2.gz COLQOBHJWRTAJQ-CRWXNKLISA-N 2 0 271.405 -0.120 20 0 CBADRP C[C@@]1(C(N)=O)CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923394897 658253860 /nfs/dbraw/zinc/25/38/60/658253860.db2.gz NGZPTBKARQOSBC-ZYHUDNBSSA-N 2 0 253.346 -0.438 20 0 CBADRP C[C@]1(C(N)=O)CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923394896 658255754 /nfs/dbraw/zinc/25/57/54/658255754.db2.gz NGZPTBKARQOSBC-PWSUYJOCSA-N 2 0 253.346 -0.438 20 0 CBADRP COCCOC[C@H](O)CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000923398021 658256415 /nfs/dbraw/zinc/25/64/15/658256415.db2.gz IOZKXHZXDSAZLE-XQQFMLRXSA-N 2 0 258.362 -0.177 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)C[C@@H](O)Cn1cccn1 ZINC000923403255 658261009 /nfs/dbraw/zinc/26/10/09/658261009.db2.gz OTZHZIIQZSXSGQ-GFCCVEGCSA-N 2 0 256.350 -0.588 20 0 CBADRP OCC[NH2+][C@H]1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923409510 658265477 /nfs/dbraw/zinc/26/54/77/658265477.db2.gz RYQWRWKEMPOWRD-STQMWFEESA-N 2 0 269.389 -0.589 20 0 CBADRP CO[C@@H]1CN(C[C@H]2CC3(C[NH2+]C3)CO2)[C@](C)(C[NH3+])C1 ZINC000923410701 658265922 /nfs/dbraw/zinc/26/59/22/658265922.db2.gz IHQGWXOUWXFVAB-XQQFMLRXSA-N 2 0 269.389 -0.197 20 0 CBADRP OCC[NH2+][C@@H]1CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000923409470 658266836 /nfs/dbraw/zinc/26/68/36/658266836.db2.gz RJSDTHGNLVMGFH-OLZOCXBDSA-N 2 0 269.389 -0.446 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413866 658268351 /nfs/dbraw/zinc/26/83/51/658268351.db2.gz JBWFIVRWCSVRIR-YTWAJWBKSA-N 2 0 255.318 -0.766 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000923419486 658269752 /nfs/dbraw/zinc/26/97/52/658269752.db2.gz AVYCKABTUPJHTN-WOPDTQHZSA-N 2 0 259.394 -0.359 20 0 CBADRP NC(=O)Cc1cccc2c1CC[N@@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923414977 658271269 /nfs/dbraw/zinc/27/12/69/658271269.db2.gz XPRPEDBWASTVDX-QEJZJMRPSA-N 2 0 289.379 -0.077 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000923416026 658271680 /nfs/dbraw/zinc/27/16/80/658271680.db2.gz KEWFKWPFAMRICR-BFHYXJOUSA-N 2 0 271.405 -0.248 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000923419483 658272143 /nfs/dbraw/zinc/27/21/43/658272143.db2.gz AVYCKABTUPJHTN-GRYCIOLGSA-N 2 0 259.394 -0.359 20 0 CBADRP O=C1NCC[C@@H]2CCC[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)[C@H]12 ZINC000923426209 658273470 /nfs/dbraw/zinc/27/34/70/658273470.db2.gz LSJCVHPCCNSARE-AVGNSLFASA-N 2 0 279.384 -0.035 20 0 CBADRP COC(=O)N[C@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923428970 658274599 /nfs/dbraw/zinc/27/45/99/658274599.db2.gz UXPNXABLDZEFEL-WDEREUQCSA-N 2 0 269.345 -0.205 20 0 CBADRP [NH3+]C[C@@]1(CO)COCCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923425816 658275045 /nfs/dbraw/zinc/27/50/45/658275045.db2.gz IWPMIEQUCLUCRB-JALIKCBVSA-N 2 0 283.416 -0.071 20 0 CBADRP CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C[C@@H]21 ZINC000923432299 658277187 /nfs/dbraw/zinc/27/71/87/658277187.db2.gz KKIYEPGQRNWGFB-XALSLBCYSA-N 2 0 268.357 -0.032 20 0 CBADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCn1cnnn1)CC2 ZINC000923440085 658283668 /nfs/dbraw/zinc/28/36/68/658283668.db2.gz HLRYPPMDBVYJPV-NSHDSACASA-N 2 0 266.349 -0.497 20 0 CBADRP O[C@H](CN1CC[NH2+]CC[NH2+]CC1)CC(F)(F)F ZINC000923461173 658292913 /nfs/dbraw/zinc/29/29/13/658292913.db2.gz SZORWJFSXNDKOO-VIFPVBQESA-N 2 0 255.284 -0.206 20 0 CBADRP O=c1cc(CN2CC[NH2+]CC[NH2+]CC2)nc2ccccn12 ZINC000923466097 658295879 /nfs/dbraw/zinc/29/58/79/658295879.db2.gz JJOYDBFYEWSLGG-UHFFFAOYSA-N 2 0 287.367 -0.311 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000923475573 658300088 /nfs/dbraw/zinc/30/00/88/658300088.db2.gz YCNJTGZKMYEJCN-NEPJUHHUSA-N 2 0 255.362 -0.707 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923649637 658376728 /nfs/dbraw/zinc/37/67/28/658376728.db2.gz BENNJXZSUULXAE-GMTAPVOTSA-N 2 0 261.391 -0.072 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923497064 658306987 /nfs/dbraw/zinc/30/69/87/658306987.db2.gz KQBYJMGXVDBNTJ-NWDGAFQWSA-N 2 0 285.388 -0.075 20 0 CBADRP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1)C(=O)N(C)C ZINC000923493637 658307461 /nfs/dbraw/zinc/30/74/61/658307461.db2.gz UJDNWMDKFLTBCP-WDEREUQCSA-N 2 0 270.377 -0.750 20 0 CBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923490703 658308936 /nfs/dbraw/zinc/30/89/36/658308936.db2.gz FHEGYGZEIGASPQ-RWMBFGLXSA-N 2 0 260.378 -0.073 20 0 CBADRP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923503461 658310274 /nfs/dbraw/zinc/31/02/74/658310274.db2.gz IUWCJDSCKHZBIO-GXTWGEPZSA-N 2 0 296.415 -0.406 20 0 CBADRP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923503967 658310697 /nfs/dbraw/zinc/31/06/97/658310697.db2.gz MYENMLZMRLGOGK-VHSXEESVSA-N 2 0 256.350 -0.251 20 0 CBADRP O[C@@H](Cn1cccn1)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516533 658313325 /nfs/dbraw/zinc/31/33/25/658313325.db2.gz JDGXOEWZVVAKPY-YNEHKIRRSA-N 2 0 250.346 -0.215 20 0 CBADRP CCC(CC)(C[NH3+])NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923569583 658330804 /nfs/dbraw/zinc/33/08/04/658330804.db2.gz PLKVPTPODYWKOT-UHFFFAOYSA-N 2 0 264.395 -0.757 20 0 CBADRP O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1 ZINC000923568160 658332761 /nfs/dbraw/zinc/33/27/61/658332761.db2.gz YWSWHIFXUOKHRR-ZACCUICWSA-N 2 0 274.390 -0.991 20 0 CBADRP CCCN(C1CC[NH2+]CC1)S(=O)(=O)C1C[NH2+]C1 ZINC000923575395 658336249 /nfs/dbraw/zinc/33/62/49/658336249.db2.gz CMCVFGGITZAXFJ-UHFFFAOYSA-N 2 0 261.391 -0.248 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000923576404 658336399 /nfs/dbraw/zinc/33/63/99/658336399.db2.gz IHTZCYYUDZHPDR-HBNTYKKESA-N 2 0 277.390 -0.884 20 0 CBADRP C[C@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC000923573803 658336647 /nfs/dbraw/zinc/33/66/47/658336647.db2.gz RQTXLLUIDGXRJS-WDEREUQCSA-N 2 0 276.406 -0.804 20 0 CBADRP CC[NH2+]CC1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923573434 658337178 /nfs/dbraw/zinc/33/71/78/658337178.db2.gz NAWPYDKSPVWJAF-UHFFFAOYSA-N 2 0 290.433 -0.542 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CCO1 ZINC000923576402 658337313 /nfs/dbraw/zinc/33/73/13/658337313.db2.gz IHTZCYYUDZHPDR-GARJFASQSA-N 2 0 277.390 -0.884 20 0 CBADRP O=S(=O)(N[C@H]1CC[N@H+](CC2CC2)C1)C1C[NH2+]C1 ZINC000923607964 658349033 /nfs/dbraw/zinc/34/90/33/658349033.db2.gz FWITYTBXKKXJRL-JTQLQIEISA-N 2 0 259.375 -0.638 20 0 CBADRP C[NH+](C)C[C@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CCO1 ZINC000923612121 658351995 /nfs/dbraw/zinc/35/19/95/658351995.db2.gz MQTPHOCWXJTGEN-RYUDHWBXSA-N 2 0 291.417 -0.669 20 0 CBADRP C[C@H](NS(=O)(=O)N1CC[NH2+]CC1)C(C)(C)C[NH+](C)C ZINC000923625491 658360621 /nfs/dbraw/zinc/36/06/21/658360621.db2.gz PKYBQMCQQQBKCH-NSHDSACASA-N 2 0 292.449 -0.298 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923627665 658360736 /nfs/dbraw/zinc/36/07/36/658360736.db2.gz LCWUNNFKAGDHHZ-JQWIXIFHSA-N 2 0 288.417 -0.791 20 0 CBADRP C[C@H]1C[C@H](NS(=O)(=O)N2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000923627255 658360765 /nfs/dbraw/zinc/36/07/65/658360765.db2.gz YXXIMZKEETZNAW-QWRGUYRKSA-N 2 0 288.417 -0.649 20 0 CBADRP C[C@@H](NS(=O)(=O)N1CC[NH2+]CC1)C(C)(C)C[NH+](C)C ZINC000923625490 658362131 /nfs/dbraw/zinc/36/21/31/658362131.db2.gz PKYBQMCQQQBKCH-LLVKDONJSA-N 2 0 292.449 -0.298 20 0 CBADRP O=S(=O)([C@H]1CCC[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000923635328 658365759 /nfs/dbraw/zinc/36/57/59/658365759.db2.gz FWNKHIVBUFZGJS-AXFHLTTASA-N 2 0 259.375 -0.781 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000923632146 658366458 /nfs/dbraw/zinc/36/64/58/658366458.db2.gz DFFOBFNQHHJPLA-OUAUKWLOSA-N 2 0 261.391 -0.250 20 0 CBADRP C[C@@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000923647575 658374431 /nfs/dbraw/zinc/37/44/31/658374431.db2.gz NDDBNTQEPNFLOG-GHMZBOCLSA-N 2 0 276.406 -0.947 20 0 CBADRP O=S(=O)(N[C@@H]1CC[NH2+]C12CCC2)N1CC[NH2+]CC1 ZINC000923659148 658383450 /nfs/dbraw/zinc/38/34/50/658383450.db2.gz GERYQQZNWRAUSS-SNVBAGLBSA-N 2 0 274.390 -0.989 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923660801 658385232 /nfs/dbraw/zinc/38/52/32/658385232.db2.gz FUERYRYGPFXYEL-GARJFASQSA-N 2 0 261.391 -0.202 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000923666996 658390797 /nfs/dbraw/zinc/39/07/97/658390797.db2.gz QROPSSVWMUMJOO-OUAUKWLOSA-N 2 0 261.391 -0.405 20 0 CBADRP O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)C1C[NH2+]C1 ZINC000923672058 658391236 /nfs/dbraw/zinc/39/12/36/658391236.db2.gz AKZMKGTYQWGABU-SNVBAGLBSA-N 2 0 289.401 -0.964 20 0 CBADRP CN(CCCCCC[NH3+])S(=O)(=O)N1CC[NH2+]CC1 ZINC000923670420 658391378 /nfs/dbraw/zinc/39/13/78/658391378.db2.gz DJTFWPUYKUYTQJ-UHFFFAOYSA-N 2 0 278.422 -0.413 20 0 CBADRP [NH3+]C[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)C[C@H]1C(F)(F)F ZINC000923670167 658391459 /nfs/dbraw/zinc/39/14/59/658391459.db2.gz IHMOJSNCSUMUAM-HTRCEHHLSA-N 2 0 287.307 -0.643 20 0 CBADRP O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)C1C[NH2+]C1 ZINC000923672056 658392028 /nfs/dbraw/zinc/39/20/28/658392028.db2.gz AKZMKGTYQWGABU-JTQLQIEISA-N 2 0 289.401 -0.964 20 0 CBADRP O=S(=O)(N[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC000923670185 658392560 /nfs/dbraw/zinc/39/25/60/658392560.db2.gz CAWQZMUKWXKQCZ-UTUOFQBUSA-N 2 0 273.402 -0.058 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)CCN1c1cc[nH+]cc1 ZINC000923671573 658393137 /nfs/dbraw/zinc/39/31/37/658393137.db2.gz MGEUUGFEAYVKQB-LLVKDONJSA-N 2 0 296.396 -0.106 20 0 CBADRP [NH3+]C[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)C[C@H]1C(F)(F)F ZINC000923670171 658393310 /nfs/dbraw/zinc/39/33/10/658393310.db2.gz IHMOJSNCSUMUAM-POYBYMJQSA-N 2 0 287.307 -0.643 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[C@@H]1C[NH3+] ZINC000923704548 658405666 /nfs/dbraw/zinc/40/56/66/658405666.db2.gz VZXIJOLXGZZAAQ-IJLUTSLNSA-N 2 0 291.417 -0.779 20 0 CBADRP [NH3+]CC[C@H]1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923700673 658405534 /nfs/dbraw/zinc/40/55/34/658405534.db2.gz WHVOEBZKLQVVSO-QWRGUYRKSA-N 2 0 261.391 -0.261 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923740966 658434722 /nfs/dbraw/zinc/43/47/22/658434722.db2.gz SFMRYOCVJMAXKK-HBNTYKKESA-N 2 0 261.391 -0.215 20 0 CBADRP O=C(NC[C@@H]1C[N@H+](CCO)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC000958214926 658590083 /nfs/dbraw/zinc/59/00/83/658590083.db2.gz OSSVGURRCJMOGM-CHWSQXEVSA-N 2 0 297.399 -0.984 20 0 CBADRP C[NH+](C)C[C@@H]1NC(=O)N([C@@H]2CC[N@H+](CC3CC3)C2)C1=O ZINC000924592499 658614155 /nfs/dbraw/zinc/61/41/55/658614155.db2.gz RSCHYGDMOZDKED-NEPJUHHUSA-N 2 0 280.372 -0.047 20 0 CBADRP C[C@@H](CN1C(=O)N[C@@H](C[NH+](C)C)C1=O)[N@H+](C)C1CC1 ZINC000924582189 658615336 /nfs/dbraw/zinc/61/53/36/658615336.db2.gz JBUVLFYQRNHPEN-ONGXEEELSA-N 2 0 268.361 -0.049 20 0 CBADRP COCC[N@@H+]1CC[C@H](N2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000924598439 658620265 /nfs/dbraw/zinc/62/02/65/658620265.db2.gz DFGKXOSOPCLKAS-QWRGUYRKSA-N 2 0 284.360 -0.811 20 0 CBADRP O=C(NC[C@H]1C[N@@H+](CC2CC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958591004 658668133 /nfs/dbraw/zinc/66/81/33/658668133.db2.gz DYQAVZPXAVXBTA-UONOGXRCSA-N 2 0 293.411 -0.099 20 0 CBADRP C[C@H](C[NH2+][C@@H]1C(=O)NCC1(C)C)CN1CC[NH+](C)CC1 ZINC000924948523 658671443 /nfs/dbraw/zinc/67/14/43/658671443.db2.gz HWEKUGHWYZIHIG-CHWSQXEVSA-N 2 0 282.432 -0.016 20 0 CBADRP C[NH+](C)C[C@H]1NC(=O)N(C[C@H]2C[C@@H]([NH+](C)C)C2)C1=O ZINC000924973936 658678172 /nfs/dbraw/zinc/67/81/72/658678172.db2.gz YYFHTIUOYGIIQM-OUAUKWLOSA-N 2 0 268.361 -0.191 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2C)CCC1 ZINC000924979013 658684787 /nfs/dbraw/zinc/68/47/87/658684787.db2.gz CXRUXWZYADYUFH-GHMZBOCLSA-N 2 0 255.362 -0.348 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000924990501 658712786 /nfs/dbraw/zinc/71/27/86/658712786.db2.gz GVTKARSVFGUOBK-SCRDCRAPSA-N 2 0 285.388 -0.986 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)[C@@H]1C[NH+]2CCC1CC2 ZINC000959918085 658756143 /nfs/dbraw/zinc/75/61/43/658756143.db2.gz FCBWFMUHCPLWOB-KBXIAJHMSA-N 2 0 293.411 -0.243 20 0 CBADRP COCC[N@H+](C)CCCN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000925286128 658816073 /nfs/dbraw/zinc/81/60/73/658816073.db2.gz HCOPQMBYQMSODJ-NSHDSACASA-N 2 0 286.376 -0.563 20 0 CBADRP C[NH+](C)C[C@@H]1NC(=O)N(CC[NH+]2CCSCC2)C1=O ZINC000925285378 658816648 /nfs/dbraw/zinc/81/66/48/658816648.db2.gz IZLQYDIMFDCRMJ-JTQLQIEISA-N 2 0 286.401 -0.483 20 0 CBADRP C[C@H]1[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000925346771 658832079 /nfs/dbraw/zinc/83/20/79/658832079.db2.gz VTQBGVDFIAZQQN-QJPTWQEYSA-N 2 0 270.377 -0.555 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000961766824 658833299 /nfs/dbraw/zinc/83/32/99/658833299.db2.gz VUBBHGXDCQNENO-CXTNEJHOSA-N 2 0 281.400 -0.243 20 0 CBADRP C[N@H+](CCO)C1CCN(C(=O)NC[C@@H]2CC[NH+]2C)CC1 ZINC000925414688 658841714 /nfs/dbraw/zinc/84/17/14/658841714.db2.gz AZIGKNINCHHEFH-ZDUSSCGKSA-N 2 0 284.404 -0.211 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925412731 658842108 /nfs/dbraw/zinc/84/21/08/658842108.db2.gz XMOWSMHIXYREBW-ZDUSSCGKSA-N 3 0 285.436 -0.175 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000925412944 658842173 /nfs/dbraw/zinc/84/21/73/658842173.db2.gz DXGXYTQZXWHHOX-CMPLNLGQSA-N 2 0 256.350 -0.944 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000925412947 658842557 /nfs/dbraw/zinc/84/25/57/658842557.db2.gz DXGXYTQZXWHHOX-PWSUYJOCSA-N 2 0 256.350 -0.944 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[C@H](O)C[NH+]1C ZINC000925431193 658851097 /nfs/dbraw/zinc/85/10/97/658851097.db2.gz FAYBYFBCEBHNER-VWYCJHECSA-N 2 0 256.350 -0.945 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H]1C[C@H](O)C[NH+]1C ZINC000925431191 658852052 /nfs/dbraw/zinc/85/20/52/658852052.db2.gz FAYBYFBCEBHNER-MXWKQRLJSA-N 2 0 256.350 -0.945 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925477735 658855211 /nfs/dbraw/zinc/85/52/11/658855211.db2.gz LTEGOIMFODSLIJ-CHWSQXEVSA-N 2 0 257.378 -0.325 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H]2C[NH2+]CCOC2)C1 ZINC000925496661 658856482 /nfs/dbraw/zinc/85/64/82/658856482.db2.gz RTRKHFBGHYSCHF-OLZOCXBDSA-N 2 0 284.404 -0.848 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925513565 658856693 /nfs/dbraw/zinc/85/66/93/658856693.db2.gz KBPZBPGJCIRRHH-KGLIPLIRSA-N 2 0 271.405 -0.079 20 0 CBADRP C[NH+](C)C1(CN[C@@H]2C[NH2+]CCOC2)CCOCC1 ZINC000925487520 658856773 /nfs/dbraw/zinc/85/67/73/658856773.db2.gz CXXHOXJXHVQYHL-GFCCVEGCSA-N 2 0 257.378 -0.325 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000962553807 658856848 /nfs/dbraw/zinc/85/68/48/658856848.db2.gz HNBCSDLHFPZDCM-KZVDOYCCSA-N 2 0 292.383 -0.983 20 0 CBADRP C[NH+]1CCC(N2CC[C@H](N[C@@H]3C[NH2+]CCOC3)C2)CC1 ZINC000925482156 658856879 /nfs/dbraw/zinc/85/68/79/658856879.db2.gz LWMQVUXTVAVUJW-UONOGXRCSA-N 2 0 282.432 -0.267 20 0 CBADRP CN1CC[NH+](CCCN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925516605 658858412 /nfs/dbraw/zinc/85/84/12/658858412.db2.gz DVXXCHQESYNARE-ZDUSSCGKSA-N 2 0 256.394 -0.798 20 0 CBADRP COC(=O)N1CCC([NH2+][C@@H]2CNCCOC2)CC1 ZINC000925569146 658859722 /nfs/dbraw/zinc/85/97/22/658859722.db2.gz RAUUJLVNBXSQMK-LLVKDONJSA-N 2 0 257.334 -0.205 20 0 CBADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CNCCOC1 ZINC000925609849 658862420 /nfs/dbraw/zinc/86/24/20/658862420.db2.gz WMRBJNVJLOLOQY-UONOGXRCSA-N 2 0 271.405 -0.199 20 0 CBADRP O[C@H](CN[C@@H]1C[NH2+]CCOC1)C[NH+]1CCCCC1 ZINC000925613501 658862557 /nfs/dbraw/zinc/86/25/57/658862557.db2.gz RVDJWMQVKZEYFF-CHWSQXEVSA-N 2 0 257.378 -0.589 20 0 CBADRP [NH3+][C@@H]1C[C@@H](NCC(=O)N2CC[NH2+]CC2)C12CCC2 ZINC000925693767 658865658 /nfs/dbraw/zinc/86/56/58/658865658.db2.gz RQQKDUFNBIIJEM-GHMZBOCLSA-N 2 0 252.362 -0.722 20 0 CBADRP [NH3+][C@@H]1C[C@H](NCC(=O)N2CC[NH2+]CC2)C12CCC2 ZINC000925693771 658866202 /nfs/dbraw/zinc/86/62/02/658866202.db2.gz RQQKDUFNBIIJEM-MNOVXSKESA-N 2 0 252.362 -0.722 20 0 CBADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]CCN1CC[C@@H](O)C1 ZINC000925717109 658866714 /nfs/dbraw/zinc/86/67/14/658866714.db2.gz IOBOTCMEOLLNSH-XVIXHAIJSA-N 2 0 269.389 -0.605 20 0 CBADRP CC1(C)[NH2+]CC[C@@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000925715611 658866780 /nfs/dbraw/zinc/86/67/80/658866780.db2.gz FMABQCOSHPUMDO-VIFPVBQESA-N 2 0 251.334 -0.129 20 0 CBADRP C[NH2+]CCOCC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925717195 658867254 /nfs/dbraw/zinc/86/72/54/658867254.db2.gz AKOCJWGTPNZXIY-WNGYAQOMSA-N 3 0 257.378 -0.436 20 0 CBADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]CCN1CC[C@@H](O)C1 ZINC000925717106 658867259 /nfs/dbraw/zinc/86/72/59/658867259.db2.gz IOBOTCMEOLLNSH-ITGHMWBKSA-N 2 0 269.389 -0.605 20 0 CBADRP O[C@@H]1CC[N@H+](CCN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925719799 658867755 /nfs/dbraw/zinc/86/77/55/658867755.db2.gz TZYVLVIKNFDFLI-GMDXDWKASA-N 2 0 251.374 -0.361 20 0 CBADRP COC(=O)CCNC(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925719026 658868140 /nfs/dbraw/zinc/86/81/40/658868140.db2.gz PVHHQNBGAUVFRM-WDEREUQCSA-N 2 0 283.372 -0.085 20 0 CBADRP NC(=O)C1CC([NH2+][C@@H]2[C@@H]3COC[C@H]2C[C@H]([NH3+])C3)C1 ZINC000925726916 658868671 /nfs/dbraw/zinc/86/86/71/658868671.db2.gz ALXRXRWBBIATSB-HXWODRKRSA-N 2 0 253.346 -0.408 20 0 CBADRP CNS(=O)(=O)CCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925726866 658868682 /nfs/dbraw/zinc/86/86/82/658868682.db2.gz XNBHOEIZQYAQSD-NXEZZACHSA-N 2 0 261.391 -0.215 20 0 CBADRP C(N[C@H]1C[NH2+]CCOC1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000925732518 658869194 /nfs/dbraw/zinc/86/91/94/658869194.db2.gz YKFDMRKEGDBIGD-STQMWFEESA-N 2 0 269.389 -0.277 20 0 CBADRP C[C@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)[C@@H]1CC[NH2+]C1 ZINC000925776614 658871098 /nfs/dbraw/zinc/87/10/98/658871098.db2.gz YSJVKHCIDINVFL-WDEREUQCSA-N 2 0 275.418 -0.002 20 0 CBADRP C(C[N@@H+]1CCC[C@H](N[C@@H]2CC[NH2+]C2)C1)N1CCOCC1 ZINC000925769665 658871184 /nfs/dbraw/zinc/87/11/84/658871184.db2.gz QJASUQXOMGYIOX-CABCVRRESA-N 2 0 282.432 -0.266 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC2[C@@H]3CC[C@H]2C[NH+](C)C3)C1 ZINC000926174927 658888556 /nfs/dbraw/zinc/88/85/56/658888556.db2.gz TVYNIXXFIHOXCQ-PIGZVRMJSA-N 2 0 253.390 -0.017 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC[C@H]1C[NH3+] ZINC000926300020 658891059 /nfs/dbraw/zinc/89/10/59/658891059.db2.gz SNVFYMSOHMEXSQ-OLZOCXBDSA-N 2 0 298.431 -0.160 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000926335100 658892649 /nfs/dbraw/zinc/89/26/49/658892649.db2.gz PVSWWGCJFRTEQX-CHWSQXEVSA-N 2 0 294.399 -0.510 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C[C@H]1[NH3+] ZINC000926418565 658899784 /nfs/dbraw/zinc/89/97/84/658899784.db2.gz KDOSEHSCFBFXIW-JMSVASOKSA-N 2 0 294.399 -0.654 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C[C@H]1[NH3+] ZINC000926418599 658900740 /nfs/dbraw/zinc/90/07/40/658900740.db2.gz KPEVVRDNQRUYCO-JHJVBQTASA-N 2 0 292.383 -0.735 20 0 CBADRP C[C@H]1CC[N@H+](CCO)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000968549656 658931295 /nfs/dbraw/zinc/93/12/95/658931295.db2.gz VMQBPKMBGOGHRC-QWHCGFSZSA-N 2 0 281.400 -0.099 20 0 CBADRP C[C@@H]1CC[N@H+](CCO)C[C@H]1NC(=O)CN1CCCC1 ZINC000968652138 658937300 /nfs/dbraw/zinc/93/73/00/658937300.db2.gz PIBBTNZJPHCRGG-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP O=C([C@@H]1CCc2cncn2C1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969135282 658949985 /nfs/dbraw/zinc/94/99/85/658949985.db2.gz GDVZEUCPZQHRHK-VXGBXAGGSA-N 2 0 278.356 -0.372 20 0 CBADRP O=C([C@H]1CCc2cncn2C1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969135281 658950660 /nfs/dbraw/zinc/95/06/60/658950660.db2.gz GDVZEUCPZQHRHK-NWDGAFQWSA-N 2 0 278.356 -0.372 20 0 CBADRP O=C(N1CC[C@@H]([NH2+]CCO)C1)C12CCC[NH+]1CCC2 ZINC000969200143 658957739 /nfs/dbraw/zinc/95/77/39/658957739.db2.gz UBGBVMAKGSEBPG-GFCCVEGCSA-N 2 0 267.373 -0.202 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC000969588978 659006436 /nfs/dbraw/zinc/00/64/36/659006436.db2.gz UTRPUPJJVYBZKO-HBNTYKKESA-N 2 0 268.361 -0.855 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928559535 659042900 /nfs/dbraw/zinc/04/29/00/659042900.db2.gz ZLKKVGGVMKSWBY-VXGBXAGGSA-N 2 0 255.362 -0.225 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC000970717178 659068900 /nfs/dbraw/zinc/06/89/00/659068900.db2.gz KGUJPRSLKANTEQ-CHWSQXEVSA-N 2 0 294.399 -0.449 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000970725744 659069410 /nfs/dbraw/zinc/06/94/10/659069410.db2.gz KCZKASPVELXYSB-CHWSQXEVSA-N 2 0 285.388 -0.863 20 0 CBADRP C[C@@H](O)C[NH+]1CC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000970744491 659069954 /nfs/dbraw/zinc/06/99/54/659069954.db2.gz GDDVCQQBBQAHFJ-NEPJUHHUSA-N 2 0 281.400 -0.101 20 0 CBADRP C[C@@H](O)C[NH+]1CC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000970744503 659070299 /nfs/dbraw/zinc/07/02/99/659070299.db2.gz GDDVCQQBBQAHFJ-VXGBXAGGSA-N 2 0 281.400 -0.101 20 0 CBADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](CCCO)C1 ZINC000970879109 659074656 /nfs/dbraw/zinc/07/46/56/659074656.db2.gz RQQVOBRXLXOSHF-RYUDHWBXSA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000971673551 659095925 /nfs/dbraw/zinc/09/59/25/659095925.db2.gz HHJMSWVMBIXQAN-VXGBXAGGSA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972231496 659110372 /nfs/dbraw/zinc/11/03/72/659110372.db2.gz GEYNNQWZEVVCPW-WCQYABFASA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH+](C)CCO)C1 ZINC000972333875 659114009 /nfs/dbraw/zinc/11/40/09/659114009.db2.gz YGMNYGBAJOSLDS-CHWSQXEVSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@H](O)C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)C[C@H](C)O ZINC000929706835 659162351 /nfs/dbraw/zinc/16/23/51/659162351.db2.gz SPDHNXVYSWKHNO-SRVKXCTJSA-N 2 0 275.393 -0.884 20 0 CBADRP OC[C@H](O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000929762268 659168709 /nfs/dbraw/zinc/16/87/09/659168709.db2.gz GXDKJKWZWZKUNY-CYBMUJFWSA-N 2 0 272.389 -0.084 20 0 CBADRP C[C@H](O)[C@@H](O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000929951103 659186924 /nfs/dbraw/zinc/18/69/24/659186924.db2.gz ATONHIXIVMMNGB-AAEUAGOBSA-N 2 0 287.404 -0.882 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2C[C@@H](O)CO ZINC000930059290 659201284 /nfs/dbraw/zinc/20/12/84/659201284.db2.gz CLHGNRTZPAETPE-FVCCEPFGSA-N 2 0 258.362 -0.477 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2C[C@@H](O)CO ZINC000930059293 659201437 /nfs/dbraw/zinc/20/14/37/659201437.db2.gz CLHGNRTZPAETPE-NDBYEHHHSA-N 2 0 258.362 -0.477 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000930097175 659207854 /nfs/dbraw/zinc/20/78/54/659207854.db2.gz AXENEJUNULJIAK-MPZDIEGVSA-N 2 0 298.431 -0.245 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[C@H]1C(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000930097172 659208140 /nfs/dbraw/zinc/20/81/40/659208140.db2.gz AXENEJUNULJIAK-FNFFVJSTSA-N 2 0 298.431 -0.245 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC000980412472 659268629 /nfs/dbraw/zinc/26/86/29/659268629.db2.gz KGYZJLTYWFCTKG-UONOGXRCSA-N 2 0 299.415 -0.520 20 0 CBADRP C[C@H](O)C[N@@H+]1CCCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000980893889 659299417 /nfs/dbraw/zinc/29/94/17/659299417.db2.gz QNEAFWXMAVGKTM-STQMWFEESA-N 2 0 285.388 -0.768 20 0 CBADRP O=C([C@@H]1C[NH+]2CCC[C@@H]2CO1)N1CCC[N@@H+](CCO)CC1 ZINC000981208701 659310733 /nfs/dbraw/zinc/31/07/33/659310733.db2.gz BOKBUZLGUFSEIJ-KGLIPLIRSA-N 2 0 297.399 -0.624 20 0 CBADRP CN(C)C(=O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000930715193 659327611 /nfs/dbraw/zinc/32/76/11/659327611.db2.gz GCQUHQZTPIWLHV-CHWSQXEVSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)[C@@H](C)C[N@@H+]1CCO ZINC000930744348 659334257 /nfs/dbraw/zinc/33/42/57/659334257.db2.gz VQLNOQCPMNOYIQ-QLFBSQMISA-N 2 0 285.432 -0.170 20 0 CBADRP CNC(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000930748673 659335998 /nfs/dbraw/zinc/33/59/98/659335998.db2.gz ZCWWIHVUNMUGLN-NEPJUHHUSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@@H](O)[C@H](O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000930823717 659344486 /nfs/dbraw/zinc/34/44/86/659344486.db2.gz TUPNFTMVZZQTMC-VXGBXAGGSA-N 2 0 258.362 -0.475 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCNC3=O)C2)C1 ZINC000985120644 659373044 /nfs/dbraw/zinc/37/30/44/659373044.db2.gz WOBYIJTWFKLVPW-ZDEQEGDKSA-N 2 0 294.399 -0.689 20 0 CBADRP C[N@H+](CC(N)=O)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000985498512 659387254 /nfs/dbraw/zinc/38/72/54/659387254.db2.gz LFTSFFAJBSHPEV-CYBMUJFWSA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC([NH+](C)CC(N)=O)CC1 ZINC000985647007 659394873 /nfs/dbraw/zinc/39/48/73/659394873.db2.gz NBMWEFVIBFMRDW-LBPRGKRZSA-N 2 0 296.415 -0.121 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCc2[nH+]ccc(N)c2C1 ZINC000931516819 659479370 /nfs/dbraw/zinc/47/93/70/659479370.db2.gz BLFABQHNWUIAJO-LBPRGKRZSA-N 2 0 294.399 -0.039 20 0 CBADRP C[NH+]1CCC(NC(=O)C[NH2+][C@@H]2C(=O)NCC2(C)C)CC1 ZINC000931651733 659501067 /nfs/dbraw/zinc/50/10/67/659501067.db2.gz KDSUVBJCGYRPMP-GFCCVEGCSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@H]1[C@H]([NH2+]CCO)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987354933 659503271 /nfs/dbraw/zinc/50/32/71/659503271.db2.gz GHCRUZKGKZXFJL-NWDGAFQWSA-N 2 0 267.373 -0.347 20 0 CBADRP C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)C[NH+]1CCCC1 ZINC000987525983 659510427 /nfs/dbraw/zinc/51/04/27/659510427.db2.gz PTKVLMXVDUPBPH-WDEREUQCSA-N 2 0 268.361 -0.854 20 0 CBADRP C[C@H]1[C@H]([NH2+]CCO)CCN1C(=O)C[NH+]1CCCC1 ZINC000987534165 659510689 /nfs/dbraw/zinc/51/06/89/659510689.db2.gz UWORBAUSBOLJNL-NWDGAFQWSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CC[NH+]1CCCCC1 ZINC000987570098 659511732 /nfs/dbraw/zinc/51/17/32/659511732.db2.gz KHWSJEIOBIPIOS-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]1OCCO[C@@H]1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000932034189 659568919 /nfs/dbraw/zinc/56/89/19/659568919.db2.gz LXFHLICEBGSXTG-STQMWFEESA-N 2 0 287.404 -0.258 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[NH+](CCO)CC2)C1 ZINC000989482428 659590760 /nfs/dbraw/zinc/59/07/60/659590760.db2.gz CJOXJJZJBYLCGS-ZDUSSCGKSA-N 2 0 269.389 -0.145 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC000989606809 659601947 /nfs/dbraw/zinc/60/19/47/659601947.db2.gz VJMXMTYWPFRSQM-CHWSQXEVSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)C[NH+]1CCCC1 ZINC000989798843 659614709 /nfs/dbraw/zinc/61/47/09/659614709.db2.gz GQBCWFTWVQGIDY-WDEREUQCSA-N 2 0 268.361 -0.854 20 0 CBADRP CC[N@H+](CCC(=O)NC)CC(=O)NC1CC[NH+](C)CC1 ZINC000933861065 659743245 /nfs/dbraw/zinc/74/32/45/659743245.db2.gz PJRCIWFJPXMQAV-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@@H](O)C[NH+]1CCCC1 ZINC000934257065 659792799 /nfs/dbraw/zinc/79/27/99/659792799.db2.gz GAAMHZSHLJZISI-XHSDSOJGSA-N 2 0 297.443 -0.026 20 0 CBADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(N)=O ZINC000939256400 659884961 /nfs/dbraw/zinc/88/49/61/659884961.db2.gz BYXDXQXBYDIXJU-DGCLKSJQSA-N 2 0 296.415 -0.360 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000995551475 659901556 /nfs/dbraw/zinc/90/15/56/659901556.db2.gz NEQYWHPDPBPILM-WDEREUQCSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@H]1C[N@H+](CCO)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944167971 659934481 /nfs/dbraw/zinc/93/44/81/659934481.db2.gz HECIMKRMHSUKHE-STQMWFEESA-N 2 0 281.400 -0.099 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1CC(N)=O ZINC000947685935 659960419 /nfs/dbraw/zinc/96/04/19/659960419.db2.gz QMGLZBFFVFZOGF-YPMHNXCESA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)Cc1ccnc(N2CCNC(=O)C23C[NH2+]C3)c1 ZINC001164413929 718879462 /nfs/dbraw/zinc/87/94/62/718879462.db2.gz OGGMCGZDIIFKCV-UHFFFAOYSA-N 2 0 275.356 -0.579 20 0 CBADRP C[N@@H+]1CCO[C@@H]2CN(c3ncnc4c3CC[NH2+]CC4)C[C@@H]21 ZINC001164666297 719370073 /nfs/dbraw/zinc/37/00/73/719370073.db2.gz DRBVEVYVRLBQCL-UONOGXRCSA-N 2 0 289.383 -0.316 20 0 CBADRP C[N@@H+]1CCO[C@@H]2CN(c3ncnc4c3CC[NH2+]C4)C[C@@H]21 ZINC001164672580 719380952 /nfs/dbraw/zinc/38/09/52/719380952.db2.gz YPTMQXDUMUXSHM-QWHCGFSZSA-N 2 0 275.356 -0.359 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)CN1CC[NH2+]CC1 ZINC000063052798 790341604 /nfs/dbraw/zinc/34/16/04/790341604.db2.gz HPKWUUVFTRVJQB-UHFFFAOYSA-N 2 0 254.378 -0.554 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH2+]CCN2)CC1 ZINC000062813262 790343232 /nfs/dbraw/zinc/34/32/32/790343232.db2.gz SEMZXQAONSSAAM-LBPRGKRZSA-N 2 0 254.378 -0.510 20 0 CBADRP C[N@@H+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1(C)C ZINC000091312226 790371856 /nfs/dbraw/zinc/37/18/56/790371856.db2.gz JJWQLOOLGFMOFW-LLVKDONJSA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+](C)CCCNC(=O)C[NH+]1CCC(CO)CC1 ZINC000178980751 790421548 /nfs/dbraw/zinc/42/15/48/790421548.db2.gz IIBQFFXJJMRUDD-UHFFFAOYSA-N 2 0 257.378 -0.241 20 0 CBADRP COC[C@@H](C)OC[C@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000234822844 790443162 /nfs/dbraw/zinc/44/31/62/790443162.db2.gz UZKRVXFBSGSFHX-ZIAGYGMSSA-N 2 0 289.420 -0.764 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH2+][C@@H](C)[C@H]1C ZINC000379434432 790511005 /nfs/dbraw/zinc/51/10/05/790511005.db2.gz LDLSPWXRHMKVHO-XQQFMLRXSA-N 2 0 259.394 -0.392 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH2+][C@H](C)[C@H]1C ZINC000379434431 790511097 /nfs/dbraw/zinc/51/10/97/790511097.db2.gz LDLSPWXRHMKVHO-UPJWGTAASA-N 2 0 259.394 -0.392 20 0 CBADRP [NH3+]C[C@H]1CCCC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000382181655 790524606 /nfs/dbraw/zinc/52/46/06/790524606.db2.gz UCOLQCYBYNPGSS-KGLIPLIRSA-N 2 0 271.405 -0.260 20 0 CBADRP CN1CCO[C@H](CNC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000383441804 790529349 /nfs/dbraw/zinc/52/93/49/790529349.db2.gz GWZFTVMPNOKGOS-SFYZADRCSA-N 2 0 251.277 -0.584 20 0 CBADRP COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000385236891 790540059 /nfs/dbraw/zinc/54/00/59/790540059.db2.gz JXPIOLKNQUQFJD-QWHCGFSZSA-N 2 0 259.394 -0.404 20 0 CBADRP CS(=O)(=O)NCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000385603680 790541842 /nfs/dbraw/zinc/54/18/42/790541842.db2.gz MAKUPLNPYBMAPY-RNWYCLNJSA-N 2 0 273.402 -0.488 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CCO)C2)C1 ZINC000386282316 790545341 /nfs/dbraw/zinc/54/53/41/790545341.db2.gz FUFAORJZJPQTMO-NEPJUHHUSA-N 2 0 255.362 -0.489 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000386291133 790545401 /nfs/dbraw/zinc/54/54/01/790545401.db2.gz CVHHIKKKVWUEOM-STQMWFEESA-N 2 0 259.394 -0.405 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CN1CCC[C@@H](C(N)=O)C1 ZINC000386117226 790545432 /nfs/dbraw/zinc/54/54/32/790545432.db2.gz MDBAIIGWRCQBGK-VXGBXAGGSA-N 2 0 257.378 -0.114 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CCO)C2)C1 ZINC000386282319 790545623 /nfs/dbraw/zinc/54/56/23/790545623.db2.gz FUFAORJZJPQTMO-NWDGAFQWSA-N 2 0 255.362 -0.489 20 0 CBADRP CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000388248076 790556673 /nfs/dbraw/zinc/55/66/73/790556673.db2.gz GTTGJJUULFNZOV-NEPJUHHUSA-N 2 0 291.417 -0.669 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000389242275 790562215 /nfs/dbraw/zinc/56/22/15/790562215.db2.gz BTAYFZDMKDOORN-MELADBBJSA-N 2 0 273.421 -0.050 20 0 CBADRP CC(C)(O)C[NH+]1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000394327933 790577060 /nfs/dbraw/zinc/57/70/60/790577060.db2.gz LNEFTTDIBMXZNM-CQSZACIVSA-N 2 0 285.432 -0.168 20 0 CBADRP [NH3+]C1(CC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000398084080 790594269 /nfs/dbraw/zinc/59/42/69/790594269.db2.gz PCKFHAFEJAJEBN-MNOVXSKESA-N 2 0 253.346 -0.153 20 0 CBADRP [NH3+]C1(CC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000398084079 790594723 /nfs/dbraw/zinc/59/47/23/790594723.db2.gz PCKFHAFEJAJEBN-GHMZBOCLSA-N 2 0 253.346 -0.153 20 0 CBADRP O=C1OCCN1CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000403159341 790611880 /nfs/dbraw/zinc/61/18/80/790611880.db2.gz FWTZZBCXZTUPNQ-LBPRGKRZSA-N 2 0 268.361 -0.582 20 0 CBADRP CS(=O)(=O)NCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405381819 790615828 /nfs/dbraw/zinc/61/58/28/790615828.db2.gz DDXZCWUUSCDDLJ-UWVGGRQHSA-N 2 0 261.391 -0.215 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000405153966 790616742 /nfs/dbraw/zinc/61/67/42/790616742.db2.gz QSTYTYHNHXDLDZ-NSHDSACASA-N 2 0 273.402 -0.152 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000687246729 790651176 /nfs/dbraw/zinc/65/11/76/790651176.db2.gz VSRRRMWNQLRWRO-XQQFMLRXSA-N 2 0 257.378 -0.638 20 0 CBADRP CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000690675713 790671600 /nfs/dbraw/zinc/67/16/00/790671600.db2.gz SKBFEMGLOAZXPB-WFQJECDVSA-N 2 0 299.440 -0.146 20 0 CBADRP C[C@H]1CCN(CCN2CCCS2(=O)=O)C[C@@H]1C[NH3+] ZINC000695129195 790687437 /nfs/dbraw/zinc/68/74/37/790687437.db2.gz GYJLQTZCOAFVPA-RYUDHWBXSA-N 2 0 275.418 -0.061 20 0 CBADRP CN(CCN1CCCS1(=O)=O)CC(C)(C)C[NH3+] ZINC000695085645 790686880 /nfs/dbraw/zinc/68/68/80/790686880.db2.gz SEGPMFVKPCNVBV-UHFFFAOYSA-N 2 0 263.407 -0.061 20 0 CBADRP C[N@H+](CCNC(=O)C[C@H](O)C[NH3+])Cc1ccccc1 ZINC000705599636 790723808 /nfs/dbraw/zinc/72/38/08/790723808.db2.gz DVVJLNCHUUCYLZ-ZDUSSCGKSA-N 2 0 265.357 -0.056 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC000705904448 790726215 /nfs/dbraw/zinc/72/62/15/790726215.db2.gz WYCJFTGVTMRAJQ-WDEREUQCSA-N 2 0 253.346 -0.689 20 0 CBADRP CN1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H](CO)C1 ZINC000711054222 790742957 /nfs/dbraw/zinc/74/29/57/790742957.db2.gz PESLBHZFCWTKTN-SRVKXCTJSA-N 2 0 255.362 -0.361 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000715844387 790751358 /nfs/dbraw/zinc/75/13/58/790751358.db2.gz DWGHGHXIPQQCTF-QWRGUYRKSA-N 2 0 253.346 -0.343 20 0 CBADRP [NH3+]CCOCC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000720435687 790765677 /nfs/dbraw/zinc/76/56/77/790765677.db2.gz JSAIMYXLWGQVCD-GHMZBOCLSA-N 2 0 273.402 -0.342 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720885035 790772657 /nfs/dbraw/zinc/77/26/57/790772657.db2.gz CEKOCXBPVWRQEL-NWDGAFQWSA-N 2 0 255.362 -0.083 20 0 CBADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CN1CC[NH2+]CC1 ZINC000720892987 790772698 /nfs/dbraw/zinc/77/26/98/790772698.db2.gz ABCSAGLBUUDWTH-QWHCGFSZSA-N 2 0 266.389 -0.413 20 0 CBADRP COC[C@H](CCC[NH3+])[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000721854891 790783966 /nfs/dbraw/zinc/78/39/66/790783966.db2.gz RBBYHJAFUAKHBM-LBPRGKRZSA-N 2 0 293.433 -0.245 20 0 CBADRP [NH3+]CC[C@@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000723710539 790801456 /nfs/dbraw/zinc/80/14/56/790801456.db2.gz VNFJZYDOZJSYQA-LLVKDONJSA-N 2 0 261.391 -0.307 20 0 CBADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723910148 790801515 /nfs/dbraw/zinc/80/15/15/790801515.db2.gz SRAJQOSUFJTCKK-UPJWGTAASA-N 2 0 260.378 -0.073 20 0 CBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](CC[NH3+])C2)CCO1 ZINC000723671350 790802771 /nfs/dbraw/zinc/80/27/71/790802771.db2.gz APHOGRNDWSQLBN-NEPJUHHUSA-N 2 0 255.362 -0.096 20 0 CBADRP C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](CC[NH3+])C2)CCO1 ZINC000723671352 790803517 /nfs/dbraw/zinc/80/35/17/790803517.db2.gz APHOGRNDWSQLBN-RYUDHWBXSA-N 2 0 255.362 -0.096 20 0 CBADRP CO[C@H]1CC[C@@H]1[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000724152663 790805180 /nfs/dbraw/zinc/80/51/80/790805180.db2.gz MKAQSXGLIJWZFY-RYUDHWBXSA-N 2 0 255.362 -0.083 20 0 CBADRP C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)O[C@@H]1CCOC1 ZINC000724930054 790814696 /nfs/dbraw/zinc/81/46/96/790814696.db2.gz GDUZYRVBJFXIHL-UONOGXRCSA-N 2 0 269.389 -0.229 20 0 CBADRP C[N@H+](CCO[C@H]1CCOC1)CCN1CC[NH2+]CC1 ZINC000724930545 790813347 /nfs/dbraw/zinc/81/33/47/790813347.db2.gz KYOPRZXLYODHEI-ZDUSSCGKSA-N 2 0 257.378 -0.371 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724575823 790808159 /nfs/dbraw/zinc/80/81/59/790808159.db2.gz CRROBYUNIWRMEE-IHRRRGAJSA-N 2 0 269.389 -0.373 20 0 CBADRP NC(=O)NC(=O)OCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000772175514 790824192 /nfs/dbraw/zinc/82/41/92/790824192.db2.gz QDKWBMDSELCERB-DTORHVGOSA-N 2 0 256.306 -0.667 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000923525277 790923243 /nfs/dbraw/zinc/92/32/43/790923243.db2.gz DQSLMGZDYNHDBO-DGCLKSJQSA-N 2 0 271.361 -0.223 20 0 CBADRP Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001021895255 790965944 /nfs/dbraw/zinc/96/59/44/790965944.db2.gz KCEYODRKCVUDFT-GRYCIOLGSA-N 2 0 292.387 -0.354 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001021906785 790968280 /nfs/dbraw/zinc/96/82/80/790968280.db2.gz YIASNRMYFQTLLX-WYUUTHIRSA-N 2 0 255.362 -0.302 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001021906644 790968310 /nfs/dbraw/zinc/96/83/10/790968310.db2.gz UCFOSCJQYJIXHC-WRWGMCAJSA-N 2 0 282.388 -0.419 20 0 CBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001022119754 790991021 /nfs/dbraw/zinc/99/10/21/790991021.db2.gz HQMVDZHXBSNZFF-XQHKEYJVSA-N 2 0 283.372 -0.921 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)C(N)=O)C2)CC[N@@H+]1C ZINC001022105951 790992107 /nfs/dbraw/zinc/99/21/07/790992107.db2.gz CHFQVVCOSIWJCY-IEECTRCBSA-N 2 0 296.415 -0.173 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022292702 791002279 /nfs/dbraw/zinc/00/22/79/791002279.db2.gz PUNKHJOHIUTKOS-OUAUKWLOSA-N 2 0 268.361 -0.807 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001022289964 791003194 /nfs/dbraw/zinc/00/31/94/791003194.db2.gz DIVPEINEQVVBNN-WYUUTHIRSA-N 2 0 282.388 -0.419 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001022492792 791016717 /nfs/dbraw/zinc/01/67/17/791016717.db2.gz HZTTWMGAJRDGQG-SCRDCRAPSA-N 2 0 294.399 -0.417 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1)C(N)=O ZINC001022714527 791042360 /nfs/dbraw/zinc/04/23/60/791042360.db2.gz WFBQWJIXQBHJQS-KXNHARMFSA-N 2 0 282.388 -0.561 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1)C(N)=O ZINC001022712674 791040781 /nfs/dbraw/zinc/04/07/81/791040781.db2.gz XIXZKVLBCXZPQZ-FVCCEPFGSA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001022715975 791041957 /nfs/dbraw/zinc/04/19/57/791041957.db2.gz OZQFXYJTPGIYSB-QNWHQSFQSA-N 2 0 269.389 -0.054 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022716851 791042253 /nfs/dbraw/zinc/04/22/53/791042253.db2.gz KGAPJKMELSVMTL-PHIMTYICSA-N 2 0 282.388 -0.560 20 0 CBADRP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077023787 805673676 /nfs/dbraw/zinc/67/36/76/805673676.db2.gz SQZXAKLYXRPNQW-FDYHWXHSSA-N 2 0 285.388 -0.866 20 0 CBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1ccns1 ZINC001147891496 814924589 /nfs/dbraw/zinc/92/45/89/814924589.db2.gz AEOVATDMUUMTPA-UHFFFAOYSA-N 2 0 286.401 -0.073 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001077679163 805766423 /nfs/dbraw/zinc/76/64/23/805766423.db2.gz IQHVROLUYNUENO-IJLUTSLNSA-N 2 0 255.362 -0.491 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CCN2CCCC2=O)C1 ZINC001147894159 814925133 /nfs/dbraw/zinc/92/51/33/814925133.db2.gz ZRXANHPLUIFIBX-CYBMUJFWSA-N 2 0 296.415 -0.344 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCF)C[C@H]2O)C1 ZINC001077679076 805768522 /nfs/dbraw/zinc/76/85/22/805768522.db2.gz GLBJDYACMKOKGF-YNEHKIRRSA-N 2 0 287.379 -0.151 20 0 CBADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)CC1 ZINC001077924232 805809570 /nfs/dbraw/zinc/80/95/70/805809570.db2.gz YZIMPPMCVMBKAQ-ZIAGYGMSSA-N 2 0 299.415 -0.740 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CC3CC3)C[C@H]2O)C1 ZINC001078006189 805821857 /nfs/dbraw/zinc/82/18/57/805821857.db2.gz VINQNQMYVNGBEV-BFHYXJOUSA-N 2 0 281.400 -0.101 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001078083177 805831227 /nfs/dbraw/zinc/83/12/27/805831227.db2.gz LCKAHSGFVNDSLV-GHMZBOCLSA-N 2 0 252.318 -0.558 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@H]2O)C1 ZINC001078174092 805850153 /nfs/dbraw/zinc/85/01/53/805850153.db2.gz BBMHUGMXOOJQBU-JHJVBQTASA-N 2 0 267.373 -0.491 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900520 814926233 /nfs/dbraw/zinc/92/62/33/814926233.db2.gz PEKQVJXFWRVJEC-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP Cc1cncn1CC(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1C ZINC001080138740 805960494 /nfs/dbraw/zinc/96/04/94/805960494.db2.gz OXZJBCZYWVQMIO-YUSALJHKSA-N 2 0 293.371 -0.498 20 0 CBADRP Cc1cncn1CC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001080139482 805960813 /nfs/dbraw/zinc/96/08/13/805960813.db2.gz GRZOEFGOFMSISF-MWLCHTKSSA-N 2 0 279.344 -0.887 20 0 CBADRP O=C(NCC[NH2+]CCn1cncn1)C12CC[NH+](CC1)C2 ZINC001147994278 814927340 /nfs/dbraw/zinc/92/73/40/814927340.db2.gz BGIVNCLMVIHSKF-UHFFFAOYSA-N 2 0 278.360 -0.920 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001080442471 805984333 /nfs/dbraw/zinc/98/43/33/805984333.db2.gz AZSAMMMGXIDVSG-FRRDWIJNSA-N 2 0 269.389 -0.101 20 0 CBADRP O=C(NCC[NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001147994780 814928758 /nfs/dbraw/zinc/92/87/58/814928758.db2.gz ONRNBJLSRMHAGH-UHFFFAOYSA-N 2 0 294.399 -0.686 20 0 CBADRP CO[C@@H]1CN(CCO)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001082137896 806147972 /nfs/dbraw/zinc/14/79/72/806147972.db2.gz GAXMUWOJVBHRFO-CHWSQXEVSA-N 2 0 299.415 -0.474 20 0 CBADRP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082369057 806170644 /nfs/dbraw/zinc/17/06/44/806170644.db2.gz WSFAIIZZPKHAEO-JHJVBQTASA-N 2 0 285.388 -0.600 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C)C(N)=O ZINC001082561593 806186478 /nfs/dbraw/zinc/18/64/78/806186478.db2.gz CXFUWKGFPUPUAV-NQBHXWOUSA-N 2 0 296.415 -0.219 20 0 CBADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001082589176 806186802 /nfs/dbraw/zinc/18/68/02/806186802.db2.gz MKQXAFWKTPHYJL-GMTAPVOTSA-N 2 0 270.377 -0.752 20 0 CBADRP CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083275225 806244754 /nfs/dbraw/zinc/24/47/54/806244754.db2.gz TUZSXNWFXJJRAQ-RWMBFGLXSA-N 2 0 267.373 -0.130 20 0 CBADRP COCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083274760 806245406 /nfs/dbraw/zinc/24/54/06/806245406.db2.gz YPHYEVYZMNHDRD-HZSPNIEDSA-N 2 0 297.399 -0.504 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001083505821 806348209 /nfs/dbraw/zinc/34/82/09/806348209.db2.gz DLFUTCGHDJROGT-RDBSUJKOSA-N 2 0 299.415 -0.596 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001083519004 806350987 /nfs/dbraw/zinc/35/09/87/806350987.db2.gz ZFQNRUBRVQSTMW-MCIONIFRSA-N 2 0 299.415 -0.882 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083525036 806353579 /nfs/dbraw/zinc/35/35/79/806353579.db2.gz WOPJQJLQAQYHRQ-MCIONIFRSA-N 2 0 299.415 -0.597 20 0 CBADRP C[C@H](O)C[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148051155 814930372 /nfs/dbraw/zinc/93/03/72/814930372.db2.gz AFOFTAFKOBPGGD-JTQLQIEISA-N 2 0 266.345 -0.152 20 0 CBADRP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749503 806421497 /nfs/dbraw/zinc/42/14/97/806421497.db2.gz CZEOVENHFKDSST-BNOWGMLFSA-N 2 0 299.415 -0.476 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2O)C1 ZINC001083780633 806431785 /nfs/dbraw/zinc/43/17/85/806431785.db2.gz FIIUKQKOWJCFOW-YUTCNCBUSA-N 2 0 281.400 -0.101 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1O ZINC001083778276 806432519 /nfs/dbraw/zinc/43/25/19/806432519.db2.gz HIOARCNKMKHRGV-UPJWGTAASA-N 2 0 287.379 -0.008 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]CCCO ZINC001148057045 814930990 /nfs/dbraw/zinc/93/09/90/814930990.db2.gz DNKSQHOELFJVFD-UHFFFAOYSA-N 2 0 266.345 -0.151 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC3)C[C@@H]2O)C1 ZINC001084053904 806480759 /nfs/dbraw/zinc/48/07/59/806480759.db2.gz PATZNLMDTVFOGD-MJBXVCDLSA-N 2 0 281.400 -0.101 20 0 CBADRP C[NH+](C)C1(C(=O)N2C[C@H]3CC[N@H+](CCO)C[C@H]32)CCC1 ZINC001084405003 806516952 /nfs/dbraw/zinc/51/69/52/806516952.db2.gz WHRPLTJVDVYNQU-CHWSQXEVSA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CC[NH+](CCO)C[C@H]21 ZINC001084661424 806531247 /nfs/dbraw/zinc/53/12/47/806531247.db2.gz SVTKYETZULNCBE-BFHYXJOUSA-N 2 0 281.400 -0.004 20 0 CBADRP CCN1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](CCO)C[C@H]32)C1 ZINC001084844118 806537726 /nfs/dbraw/zinc/53/77/26/806537726.db2.gz GYRCYFNKYJRJLF-MCIONIFRSA-N 2 0 297.399 -0.768 20 0 CBADRP CNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084830376 806539488 /nfs/dbraw/zinc/53/94/88/806539488.db2.gz TYJSXVISCXUWAX-FRRDWIJNSA-N 2 0 294.399 -0.783 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)C1 ZINC001085421895 806555515 /nfs/dbraw/zinc/55/55/15/806555515.db2.gz AMJPHHBUQJOSJX-QJPTWQEYSA-N 2 0 282.388 -0.560 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)C1 ZINC001085421894 806555888 /nfs/dbraw/zinc/55/58/88/806555888.db2.gz AMJPHHBUQJOSJX-IJLUTSLNSA-N 2 0 282.388 -0.560 20 0 CBADRP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085598208 806584175 /nfs/dbraw/zinc/58/41/75/806584175.db2.gz OYUZMADOMHIQPG-UONOGXRCSA-N 2 0 281.400 -0.147 20 0 CBADRP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)C1CC[NH+](C)CC1 ZINC001085799401 806610968 /nfs/dbraw/zinc/61/09/68/806610968.db2.gz QHSCPKSZYAFKID-ZDUSSCGKSA-N 2 0 269.389 -0.147 20 0 CBADRP CN(C[C@@H]1CC[N@@H+]1CCCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085973517 806630128 /nfs/dbraw/zinc/63/01/28/806630128.db2.gz YXDHLQBMIONSPX-OLZOCXBDSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001086047098 806639575 /nfs/dbraw/zinc/63/95/75/806639575.db2.gz DUZZJJKOQIZKMI-RVMXOQNASA-N 2 0 269.389 -0.054 20 0 CBADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)CC1 ZINC001022809719 798842027 /nfs/dbraw/zinc/84/20/27/798842027.db2.gz QLIYKTXVBWCWAL-BETUJISGSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)[NH+]1CCCCCC1 ZINC001022808465 798842155 /nfs/dbraw/zinc/84/21/55/798842155.db2.gz WFMXQSRGYSVKIU-RWMBFGLXSA-N 2 0 296.415 -0.027 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022973300 798869944 /nfs/dbraw/zinc/86/99/44/798869944.db2.gz GRFHKYQFOXJGKY-MXWKQRLJSA-N 2 0 268.361 -0.950 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022984474 798872109 /nfs/dbraw/zinc/87/21/09/798872109.db2.gz ATZNQQYUTVOHNP-PHIMTYICSA-N 2 0 278.356 -0.010 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001023084114 798879813 /nfs/dbraw/zinc/87/98/13/798879813.db2.gz JCNCGSLAIMMCNO-YFKTTZPYSA-N 2 0 280.372 -0.937 20 0 CBADRP Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023088878 798881545 /nfs/dbraw/zinc/88/15/45/798881545.db2.gz NKXARKPCHLEOCR-TXEJJXNPSA-N 2 0 292.387 -0.352 20 0 CBADRP Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023088707 798881653 /nfs/dbraw/zinc/88/16/53/798881653.db2.gz DXQYNECPKNXPMQ-TXEJJXNPSA-N 2 0 292.387 -0.352 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCO)C1 ZINC001023275260 798897296 /nfs/dbraw/zinc/89/72/96/798897296.db2.gz HJBLTKPQEYEYSV-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+](CCO)C2)C1 ZINC001023750838 798921874 /nfs/dbraw/zinc/92/18/74/798921874.db2.gz XZMNTTHZTQGJIA-OLZOCXBDSA-N 2 0 269.389 -0.241 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21 ZINC001026045547 798987334 /nfs/dbraw/zinc/98/73/34/798987334.db2.gz HPAVQEROUWGCCG-BJJPWKGXSA-N 2 0 281.400 -0.387 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001026043503 798987898 /nfs/dbraw/zinc/98/78/98/798987898.db2.gz FXQFLAHNZDWFFF-GGAZOKNXSA-N 2 0 281.400 -0.245 20 0 CBADRP O=C(N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@H]2C1)C12CC[NH+](CC1)C2 ZINC001026402297 799004393 /nfs/dbraw/zinc/00/43/93/799004393.db2.gz DOHRORNOKAYOQB-IHRRRGAJSA-N 2 0 293.411 -0.099 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]CC(N)=O)CC2)CC[N@@H+]1C ZINC001026496564 799007129 /nfs/dbraw/zinc/00/71/29/799007129.db2.gz KGUKODACOOORKA-IKWCTNDRSA-N 2 0 296.415 -0.171 20 0 CBADRP NC(=O)C[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001026606721 799011334 /nfs/dbraw/zinc/01/13/34/799011334.db2.gz QSSTYUDXZQSKOZ-UHFFFAOYSA-N 2 0 282.388 -0.416 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cnon3)C2)C1 ZINC001027216868 799033540 /nfs/dbraw/zinc/03/35/40/799033540.db2.gz YNWOBYISTSALSW-NEPJUHHUSA-N 2 0 293.371 -0.041 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027218082 799034173 /nfs/dbraw/zinc/03/41/73/799034173.db2.gz XJHDMYMKTMFJMO-OLZOCXBDSA-N 2 0 294.399 -0.591 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681582 799064506 /nfs/dbraw/zinc/06/45/06/799064506.db2.gz YKFWNMMIMXGUCH-QWHCGFSZSA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2CCO)CC[N@@H+]1C ZINC001027893787 799092935 /nfs/dbraw/zinc/09/29/35/799092935.db2.gz GEDDNTWIDDMQHT-JHJVBQTASA-N 2 0 269.389 -0.101 20 0 CBADRP O=C(NC[C@H]1CCC[N@H+]1CCO)[C@H]1C[NH+]2CCC1CC2 ZINC001027885360 799094068 /nfs/dbraw/zinc/09/40/68/799094068.db2.gz DCCVZKDMBVWOHU-KGLIPLIRSA-N 2 0 281.400 -0.099 20 0 CBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCO)C1 ZINC001028094408 799108694 /nfs/dbraw/zinc/10/86/94/799108694.db2.gz YWPYXWJJVABCCP-ZIAGYGMSSA-N 2 0 299.415 -0.332 20 0 CBADRP CN(C)C(=O)CN1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001028313945 799121716 /nfs/dbraw/zinc/12/17/16/799121716.db2.gz DERWWKQLVPSGRG-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCO)C1 ZINC001028318636 799123028 /nfs/dbraw/zinc/12/30/28/799123028.db2.gz BATJQNGOLJGEMI-NEPJUHHUSA-N 2 0 255.362 -0.489 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC001028320565 799123463 /nfs/dbraw/zinc/12/34/63/799123463.db2.gz SOKWOFSEJCEBMB-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCO)C1 ZINC001028445918 799137401 /nfs/dbraw/zinc/13/74/01/799137401.db2.gz XHUAOPZIERXUDQ-RYUDHWBXSA-N 2 0 255.362 -0.489 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001028447246 799138083 /nfs/dbraw/zinc/13/80/83/799138083.db2.gz NZGKEAXNPBIPHA-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP O=C(NC[C@H]1CC[N@@H+](CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001028539385 799149916 /nfs/dbraw/zinc/14/99/16/799149916.db2.gz VNHZLXLPNRLBSC-TZMCWYRMSA-N 2 0 281.400 -0.241 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001028580503 799152990 /nfs/dbraw/zinc/15/29/90/799152990.db2.gz XITGEFHQCHCYTP-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001028635695 799156401 /nfs/dbraw/zinc/15/64/01/799156401.db2.gz DWDFUUDQMBWSDZ-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001028635952 799156636 /nfs/dbraw/zinc/15/66/36/799156636.db2.gz HYTFXFLAJAMMCN-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001028778193 799170044 /nfs/dbraw/zinc/17/00/44/799170044.db2.gz CWQJJRXYYMBVDR-NSHDSACASA-N 2 0 282.388 -0.748 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028931415 799181454 /nfs/dbraw/zinc/18/14/54/799181454.db2.gz QEFGLHARROQYSC-NWDGAFQWSA-N 2 0 294.399 -0.606 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028929619 799181524 /nfs/dbraw/zinc/18/15/24/799181524.db2.gz HZAXAAULDDJBCS-GFCCVEGCSA-N 2 0 294.399 -0.734 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028929620 799181692 /nfs/dbraw/zinc/18/16/92/799181692.db2.gz HZAXAAULDDJBCS-LBPRGKRZSA-N 2 0 294.399 -0.734 20 0 CBADRP C[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)CC1 ZINC001029453138 799199849 /nfs/dbraw/zinc/19/98/49/799199849.db2.gz KMPXOKUAFKPUJZ-OKILXGFUSA-N 2 0 281.400 -0.004 20 0 CBADRP CNC(=O)[C@@H](C)N1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031585440 799513547 /nfs/dbraw/zinc/51/35/47/799513547.db2.gz XQPVSLHIWRLDCY-ZYHUDNBSSA-N 2 0 282.388 -0.737 20 0 CBADRP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C[C@@H](C)O)C2)C1 ZINC001031921525 799562488 /nfs/dbraw/zinc/56/24/88/799562488.db2.gz RWAVCAKUTCWMCO-TZMCWYRMSA-N 2 0 299.415 -0.476 20 0 CBADRP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032186027 799590198 /nfs/dbraw/zinc/59/01/98/799590198.db2.gz GLQXCKKAIBONRT-PWSUYJOCSA-N 2 0 255.362 -0.633 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCCO)C2)C1 ZINC001032185830 799591085 /nfs/dbraw/zinc/59/10/85/799591085.db2.gz CWHYALKDGPPXBG-GFCCVEGCSA-N 2 0 255.362 -0.632 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001032205907 799593972 /nfs/dbraw/zinc/59/39/72/799593972.db2.gz MFMVVPYLEOLKBK-ZDUSSCGKSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCO)C2)CC[N@@H+]1C ZINC001033091929 799714937 /nfs/dbraw/zinc/71/49/37/799714937.db2.gz OBYCQPLZPDZEIA-JHJVBQTASA-N 2 0 269.389 -0.148 20 0 CBADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](CCO)C1 ZINC001033083115 799715072 /nfs/dbraw/zinc/71/50/72/799715072.db2.gz VUAOCKAVBKKHAM-KBPBESRZSA-N 2 0 281.400 -0.147 20 0 CBADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](CCO)C1 ZINC001033083122 799715411 /nfs/dbraw/zinc/71/54/11/799715411.db2.gz VUAOCKAVBKKHAM-UONOGXRCSA-N 2 0 281.400 -0.147 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH+](CCO)C1 ZINC001033421664 799751499 /nfs/dbraw/zinc/75/14/99/799751499.db2.gz DJYPTKQPXZRKJI-CHWSQXEVSA-N 2 0 269.389 -0.004 20 0 CBADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCO)C1 ZINC001033663175 799778902 /nfs/dbraw/zinc/77/89/02/799778902.db2.gz UNGUNFMIBJSGNH-RYUDHWBXSA-N 2 0 255.362 -0.537 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)C1 ZINC001034775485 799855384 /nfs/dbraw/zinc/85/53/84/799855384.db2.gz ASFCWWCAQFUVIG-AVGNSLFASA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)C1 ZINC001034793240 799856343 /nfs/dbraw/zinc/85/63/43/799856343.db2.gz USFUZOJYHULCEW-SRVKXCTJSA-N 2 0 282.388 -0.560 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001035014636 799863849 /nfs/dbraw/zinc/86/38/49/799863849.db2.gz ZQPYBAWJKMSZHF-JHJVBQTASA-N 2 0 294.399 -0.450 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001035052898 799867135 /nfs/dbraw/zinc/86/71/35/799867135.db2.gz XVPLHOFMRATVDP-AGIUHOORSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036064046 799976461 /nfs/dbraw/zinc/97/64/61/799976461.db2.gz LJSZPKQVCSSBLB-AAEUAGOBSA-N 2 0 296.415 -0.217 20 0 CBADRP NC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001036895790 800013694 /nfs/dbraw/zinc/01/36/94/800013694.db2.gz DPNXCBNHQWQXTM-STQMWFEESA-N 2 0 294.399 -0.510 20 0 CBADRP CN1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+]2CC2CC2)C1 ZINC001038138309 800061801 /nfs/dbraw/zinc/06/18/01/800061801.db2.gz VFEILFMVRAMKCS-OLZOCXBDSA-N 2 0 267.373 -0.083 20 0 CBADRP O=C(NC[C@H]1CC[N@H+]1CCCO)[C@H]1C[NH+]2CCC1CC2 ZINC001038247542 800087081 /nfs/dbraw/zinc/08/70/81/800087081.db2.gz INQYVIWDNYZRCA-KGLIPLIRSA-N 2 0 281.400 -0.099 20 0 CBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+]2CCCO)C1 ZINC001038628112 801230749 /nfs/dbraw/zinc/23/07/49/801230749.db2.gz NDPJRFBTIHLCPY-ZIAGYGMSSA-N 2 0 299.415 -0.332 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@]3(CC[NH+](CC(N)=O)C3)C2)C1 ZINC001041829571 801422721 /nfs/dbraw/zinc/42/27/21/801422721.db2.gz YBIHLWYNQIPNMA-SWLSCSKDSA-N 2 0 294.399 -0.652 20 0 CBADRP NC(=O)CN1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001042358501 801458668 /nfs/dbraw/zinc/45/86/68/801458668.db2.gz RVQJDBAMBUFLOV-STQMWFEESA-N 2 0 294.399 -0.510 20 0 CBADRP NC(=O)CN1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001042358500 801458864 /nfs/dbraw/zinc/45/88/64/801458864.db2.gz RVQJDBAMBUFLOV-QWHCGFSZSA-N 2 0 294.399 -0.510 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001044734908 801668216 /nfs/dbraw/zinc/66/82/16/801668216.db2.gz XSCZQCWUIQDBFH-WCQYABFASA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001044825595 801671326 /nfs/dbraw/zinc/67/13/26/801671326.db2.gz WBCXSCCUWJWFAN-NEPJUHHUSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001045639647 801708089 /nfs/dbraw/zinc/70/80/89/801708089.db2.gz ONHQRPKDPHFFKR-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCCO)C2)C1 ZINC001046839967 801797439 /nfs/dbraw/zinc/79/74/39/801797439.db2.gz VIHAQWZHGMHEHA-OCCSQVGLSA-N 2 0 269.389 -0.099 20 0 CBADRP COC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047486679 801882869 /nfs/dbraw/zinc/88/28/69/801882869.db2.gz NMOGJPKVCPCYKU-CRWXNKLISA-N 2 0 299.415 -0.381 20 0 CBADRP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001047528884 801894490 /nfs/dbraw/zinc/89/44/90/801894490.db2.gz GPPZADVSVABVMK-AVGNSLFASA-N 2 0 269.389 -0.006 20 0 CBADRP CC(C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047626841 801914197 /nfs/dbraw/zinc/91/41/97/801914197.db2.gz HKLBOSRABVAJPJ-STQMWFEESA-N 2 0 269.389 -0.006 20 0 CBADRP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048721066 801956355 /nfs/dbraw/zinc/95/63/55/801956355.db2.gz WFYWQLMEKLXRFW-XQQFMLRXSA-N 2 0 294.399 -0.783 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1)C1CC1 ZINC001048863947 801976442 /nfs/dbraw/zinc/97/64/42/801976442.db2.gz QOWVOZKDGOLDLC-HZSPNIEDSA-N 2 0 281.400 -0.291 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1 ZINC001049059961 801994885 /nfs/dbraw/zinc/99/48/85/801994885.db2.gz KJHJDMWNRKINCD-NDBYEHHHSA-N 2 0 294.399 -0.940 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1 ZINC001049056933 801995622 /nfs/dbraw/zinc/99/56/22/801995622.db2.gz DSHBFEJSSZRWOE-MCIONIFRSA-N 2 0 281.400 -0.147 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1 ZINC001049060086 801995960 /nfs/dbraw/zinc/99/59/60/801995960.db2.gz MYWTZEUFCJFOTM-IGQOVBAYSA-N 2 0 281.400 -0.433 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1 ZINC001049060085 801996368 /nfs/dbraw/zinc/99/63/68/801996368.db2.gz MYWTZEUFCJFOTM-FQUUOJAGSA-N 2 0 281.400 -0.433 20 0 CBADRP C[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049212593 802005142 /nfs/dbraw/zinc/00/51/42/802005142.db2.gz CLBXVPKQTLGLDD-XQHKEYJVSA-N 2 0 294.399 -0.798 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CCCO)C[C@@H]3C2)C1 ZINC001049215234 802007352 /nfs/dbraw/zinc/00/73/52/802007352.db2.gz PLXWSQDODNMDBQ-MELADBBJSA-N 2 0 281.400 -0.289 20 0 CBADRP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049213637 802007740 /nfs/dbraw/zinc/00/77/40/802007740.db2.gz RIIWNRWZNVHPAW-RWMBFGLXSA-N 2 0 294.399 -0.926 20 0 CBADRP C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049213884 802009636 /nfs/dbraw/zinc/00/96/36/802009636.db2.gz XEZPEJZDUUCASO-XDQVBPFNSA-N 2 0 281.400 -0.291 20 0 CBADRP CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001051495123 802148356 /nfs/dbraw/zinc/14/83/56/802148356.db2.gz ZUAYBHOFRQFTLM-NWDGAFQWSA-N 2 0 255.362 -0.083 20 0 CBADRP CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051931467 802172863 /nfs/dbraw/zinc/17/28/63/802172863.db2.gz BLPREJWZTUQMNW-NEPJUHHUSA-N 2 0 255.362 -0.225 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001052248875 802189145 /nfs/dbraw/zinc/18/91/45/802189145.db2.gz BBJABZOKKCNAIV-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC(N)=O)CC1 ZINC001052498403 802201639 /nfs/dbraw/zinc/20/16/39/802201639.db2.gz HICXXGXHEFVCIF-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CC(N)=O)CC1 ZINC001052712657 802214582 /nfs/dbraw/zinc/21/45/82/802214582.db2.gz MQLWOHSBCSINEN-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CC(N)=O)CC1 ZINC001052712656 802214660 /nfs/dbraw/zinc/21/46/60/802214660.db2.gz MQLWOHSBCSINEN-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CC(N)=O)CC1 ZINC001052712654 802215329 /nfs/dbraw/zinc/21/53/29/802215329.db2.gz MQLWOHSBCSINEN-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052938211 802225233 /nfs/dbraw/zinc/22/52/33/802225233.db2.gz UPUVFRPGMRLCCJ-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001054297513 802333665 /nfs/dbraw/zinc/33/36/65/802333665.db2.gz SCQDXOHSQFZIRF-XQQFMLRXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1[NH2+]CCO ZINC001054734980 802366219 /nfs/dbraw/zinc/36/62/19/802366219.db2.gz HCUNUUWSUACATA-RYUDHWBXSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CCO ZINC001054734977 802366997 /nfs/dbraw/zinc/36/69/97/802366997.db2.gz HCUNUUWSUACATA-NWDGAFQWSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1[NH2+]CCO ZINC001054734150 802367164 /nfs/dbraw/zinc/36/71/64/802367164.db2.gz ASXOYZMGWGZGOJ-YPMHNXCESA-N 2 0 269.389 -0.101 20 0 CBADRP CC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001055479711 802395526 /nfs/dbraw/zinc/39/55/26/802395526.db2.gz DGYVZUYNVUHAAO-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(=O)NC1CC[NH+](CCNC(=O)CC[NH+](C)C)CC1 ZINC001055633496 802401001 /nfs/dbraw/zinc/40/10/01/802401001.db2.gz PRCLRNCXNWALTE-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210521 814934709 /nfs/dbraw/zinc/93/47/09/814934709.db2.gz PNHFPAKNOXFUQY-NSHDSACASA-N 2 0 282.388 -0.654 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001118134431 812475310 /nfs/dbraw/zinc/47/53/10/812475310.db2.gz AAVRHUKZEGIWIV-LLVKDONJSA-N 2 0 268.361 -0.994 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NCC[C@H](C)[NH2+]C ZINC001118043710 812465317 /nfs/dbraw/zinc/46/53/17/812465317.db2.gz RGSDXYIVTRFIIR-NSHDSACASA-N 2 0 272.393 -0.441 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC001118043263 812465614 /nfs/dbraw/zinc/46/56/14/812465614.db2.gz KEVGDWYOZBYMFV-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP O=C(Cc1cnc[nH]1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001119569599 812812336 /nfs/dbraw/zinc/81/23/36/812812336.db2.gz OOSFNZYPWYBYSQ-VXGBXAGGSA-N 2 0 264.329 -0.380 20 0 CBADRP O=C(Cc1cnc[nH]1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001119569598 812812956 /nfs/dbraw/zinc/81/29/56/812812956.db2.gz OOSFNZYPWYBYSQ-RYUDHWBXSA-N 2 0 264.329 -0.380 20 0 CBADRP O=C(Cc1cnc[nH]1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001119569596 812813484 /nfs/dbraw/zinc/81/34/84/812813484.db2.gz OOSFNZYPWYBYSQ-NEPJUHHUSA-N 2 0 264.329 -0.380 20 0 CBADRP Cc1noc(CCCN2CC[NH2+]CC[NH2+]CC2)n1 ZINC001119618883 812836941 /nfs/dbraw/zinc/83/69/41/812836941.db2.gz UAQWQMKMXOTEQD-UHFFFAOYSA-N 2 0 253.350 -0.195 20 0 CBADRP CSC[C@@H](O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001119682221 812865187 /nfs/dbraw/zinc/86/51/87/812865187.db2.gz BFGKSMKCUZLNLW-RYUDHWBXSA-N 2 0 259.419 -0.310 20 0 CBADRP C[NH+](C)C1CN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001119965223 812915474 /nfs/dbraw/zinc/91/54/74/812915474.db2.gz CCEAEGKLYGYBCE-UHFFFAOYSA-N 2 0 255.362 -0.130 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001121936643 813091632 /nfs/dbraw/zinc/09/16/32/813091632.db2.gz FLDNYYRFIHMWJS-RVMXOQNASA-N 2 0 264.373 -0.948 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001121928590 813091707 /nfs/dbraw/zinc/09/17/07/813091707.db2.gz RCNXKVRMYWIMAZ-UONOGXRCSA-N 2 0 297.447 -0.968 20 0 CBADRP COCC[NH2+]CCNC(=O)C1([C@@H](C)[NH3+])CCOCC1 ZINC001121930818 813091957 /nfs/dbraw/zinc/09/19/57/813091957.db2.gz UQUDOHNAAIHYSG-LLVKDONJSA-N 2 0 273.377 -0.517 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001121930909 813092465 /nfs/dbraw/zinc/09/24/65/813092465.db2.gz YDLYHWWQKPSWBY-GMXVVIOVSA-N 2 0 255.362 -0.313 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001122021791 813104852 /nfs/dbraw/zinc/10/48/52/813104852.db2.gz ANAHFCXURPPPAJ-NMKXLXIOSA-N 2 0 267.373 -0.144 20 0 CBADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001122018127 813105111 /nfs/dbraw/zinc/10/51/11/813105111.db2.gz DZAQBIYUCRJOPS-OLZOCXBDSA-N 2 0 296.415 -0.229 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC1=CC[NH2+]CC1 ZINC001122015278 813105278 /nfs/dbraw/zinc/10/52/78/813105278.db2.gz MLBXNJAMPCNYMH-DGCLKSJQSA-N 2 0 264.373 -0.589 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]C ZINC001122100786 813117764 /nfs/dbraw/zinc/11/77/64/813117764.db2.gz UNUIOGFPGFAQJW-HCSCIRHASA-N 2 0 255.362 -0.563 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]C ZINC001122100785 813117807 /nfs/dbraw/zinc/11/78/07/813117807.db2.gz UNUIOGFPGFAQJW-DKLPLTIYSA-N 2 0 255.362 -0.563 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1=O ZINC001122102278 813117947 /nfs/dbraw/zinc/11/79/47/813117947.db2.gz IMIIDZWZTZRZSZ-TUAOUCFPSA-N 2 0 280.372 -0.854 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]C ZINC001122100789 813118279 /nfs/dbraw/zinc/11/82/79/813118279.db2.gz UNUIOGFPGFAQJW-VWLQNONNSA-N 2 0 255.362 -0.563 20 0 CBADRP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC001122126633 813121542 /nfs/dbraw/zinc/12/15/42/813121542.db2.gz JJNXJDFSNMXGKA-UMSGYPCISA-N 2 0 266.389 -0.287 20 0 CBADRP C[NH2+][C@@H](CNC(=O)C1(O)C[NH2+]C1)Cc1ccccc1 ZINC001122178974 813128215 /nfs/dbraw/zinc/12/82/15/813128215.db2.gz BGHOEMJWNJZBHP-GFCCVEGCSA-N 2 0 263.341 -0.732 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001122176043 813128307 /nfs/dbraw/zinc/12/83/07/813128307.db2.gz UXSYZPFTQXTCNR-KZVDOYCCSA-N 2 0 267.373 -0.313 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC001122367752 813154647 /nfs/dbraw/zinc/15/46/47/813154647.db2.gz BUKDQBBXEHKADQ-IJLUTSLNSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC001122412692 813162893 /nfs/dbraw/zinc/16/28/93/813162893.db2.gz WXGFDXKFZMVRSC-MRBYEJRBSA-N 2 0 255.362 -0.457 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC001122426714 813164240 /nfs/dbraw/zinc/16/42/40/813164240.db2.gz MZGLLKCJYBHLIP-UKKRHICBSA-N 2 0 255.362 -0.411 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NCC[C@@H]1CCC[NH2+]CC1 ZINC001122504462 813171963 /nfs/dbraw/zinc/17/19/63/813171963.db2.gz HCHLGHQBKQOEIW-CYBMUJFWSA-N 2 0 268.405 -0.212 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)C(=O)N(C)C ZINC001129356203 813837867 /nfs/dbraw/zinc/83/78/67/813837867.db2.gz DIUHCEAYPSEGOO-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133291675 814237472 /nfs/dbraw/zinc/23/74/72/814237472.db2.gz VUIMBSLLVWIWMG-GFCCVEGCSA-N 2 0 286.420 -0.195 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294341 814237587 /nfs/dbraw/zinc/23/75/87/814237587.db2.gz DLSDUQJRKGTJPE-UHFFFAOYSA-N 2 0 258.366 -0.878 20 0 CBADRP CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294394 814238015 /nfs/dbraw/zinc/23/80/15/814238015.db2.gz HFJDZBCJYOFHQZ-LBPRGKRZSA-N 2 0 286.420 -0.099 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001133345366 814246087 /nfs/dbraw/zinc/24/60/87/814246087.db2.gz BFMAEMXEOUSFCU-CHWSQXEVSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)N(C)C ZINC001133845424 814304729 /nfs/dbraw/zinc/30/47/29/814304729.db2.gz FMHVXEFPVKJZFV-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)N(C)C)C1 ZINC001133845429 814305364 /nfs/dbraw/zinc/30/53/64/814305364.db2.gz FSCXKZSTQHXWON-NSHDSACASA-N 2 0 270.377 -0.878 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)N(CC)CC)[NH+](C)C ZINC001133982721 814332549 /nfs/dbraw/zinc/33/25/49/814332549.db2.gz JLKMZMFRPNCTEO-LBPRGKRZSA-N 2 0 286.420 -0.099 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)C(C)C)[NH+](C)C ZINC001133982660 814332636 /nfs/dbraw/zinc/33/26/36/814332636.db2.gz GMUXESZPJMQXHS-LBPRGKRZSA-N 2 0 286.420 -0.101 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])C(=O)CC[NH+]1CCCCC1 ZINC001142916756 814740438 /nfs/dbraw/zinc/74/04/38/814740438.db2.gz WEJWKEFFHXJOPI-UHFFFAOYSA-N 2 0 277.390 -0.391 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CCC(N)=O ZINC001142961583 814746478 /nfs/dbraw/zinc/74/64/78/814746478.db2.gz RMNQEWKVJYQWLX-UHFFFAOYSA-N 2 0 257.338 -0.684 20 0 CBADRP C[NH+]1CCN(CCC(=O)n2cc(C[NH3+])cnc2=N)CC1 ZINC001143236822 814765402 /nfs/dbraw/zinc/76/54/02/814765402.db2.gz BGXYHBQYZSHDBQ-UHFFFAOYSA-N 2 0 278.360 -0.901 20 0 CBADRP CC(=O)N[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C(C)C ZINC001144368110 814775764 /nfs/dbraw/zinc/77/57/64/814775764.db2.gz DTTWNLOBEOFGSD-JTQLQIEISA-N 2 0 271.365 -0.392 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148365214 814941408 /nfs/dbraw/zinc/94/14/08/814941408.db2.gz LEJVBRGDUKZBJT-LLVKDONJSA-N 2 0 272.393 -0.441 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001148573588 814950592 /nfs/dbraw/zinc/95/05/92/814950592.db2.gz VUQSSUREPTVUPF-JTQLQIEISA-N 2 0 258.366 -0.702 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N(C)CC ZINC001148571042 814951717 /nfs/dbraw/zinc/95/17/17/814951717.db2.gz SYMJZPLGMFBGON-UHFFFAOYSA-N 2 0 286.420 -0.098 20 0 CBADRP COCC[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148604982 814952462 /nfs/dbraw/zinc/95/24/62/814952462.db2.gz MILMZGALGBZJHI-UHFFFAOYSA-N 2 0 299.415 -0.255 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])C(=O)c1ccc(NC(N)=[NH2+])cc1 ZINC001148641803 814953796 /nfs/dbraw/zinc/95/37/96/814953796.db2.gz XKQJDTSMZLMROQ-UHFFFAOYSA-N 2 0 299.356 -0.648 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001148654803 814956642 /nfs/dbraw/zinc/95/66/42/814956642.db2.gz AUNZLXTWAFMDIJ-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001148656317 814956670 /nfs/dbraw/zinc/95/66/70/814956670.db2.gz ZAHCHTGEJFGGMP-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](C[NH2+]CCO)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001321542859 803782622 /nfs/dbraw/zinc/78/26/22/803782622.db2.gz AAMSWRMRCKQVNT-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@H](C[NH2+]CCCO)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001321710492 803805933 /nfs/dbraw/zinc/80/59/33/803805933.db2.gz OUBCKAIFMJHUIP-NEPJUHHUSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H](C[NH2+]CCN1CCCC1=O)NC(=O)CC[NH+](C)C ZINC001321969009 803847092 /nfs/dbraw/zinc/84/70/92/803847092.db2.gz PTHPSZGDOFMZJZ-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001322568076 803911059 /nfs/dbraw/zinc/91/10/59/803911059.db2.gz DIWUDCDLLUIWCE-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H]([NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001322678814 803926967 /nfs/dbraw/zinc/92/69/67/803926967.db2.gz UREJHMNCJGDUJO-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]CCCO)C1CC1 ZINC001323108741 803977403 /nfs/dbraw/zinc/97/74/03/803977403.db2.gz NABHIHLDQZNPEC-ZDUSSCGKSA-N 2 0 269.389 -0.051 20 0 CBADRP N[C@@H](C[NH3+])C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160461302 815624836 /nfs/dbraw/zinc/62/48/36/815624836.db2.gz MSXMBGURSVGLOO-NEPJUHHUSA-N 2 0 254.378 -0.251 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C1=CNN2C=CNC=C12 ZINC001149461423 814994300 /nfs/dbraw/zinc/99/43/00/814994300.db2.gz ZSIJVSWKZKOQRT-UHFFFAOYSA-N 2 0 277.332 -0.933 20 0 CBADRP COCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001325036437 804226651 /nfs/dbraw/zinc/22/66/51/804226651.db2.gz FVSHKEVDLXYCKO-CYBMUJFWSA-N 2 0 299.415 -0.161 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC001325386474 804283346 /nfs/dbraw/zinc/28/33/46/804283346.db2.gz QEVVZLUXULDMJZ-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001325705355 804307455 /nfs/dbraw/zinc/30/74/55/804307455.db2.gz SKSHQKSEPQCCAD-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001325703103 804307574 /nfs/dbraw/zinc/30/75/74/804307574.db2.gz KNSNMPBAEWHSSR-YNEHKIRRSA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049035 815052080 /nfs/dbraw/zinc/05/20/80/815052080.db2.gz HVGQUMNFQQEQDF-QWHCGFSZSA-N 2 0 298.431 -0.195 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151048585 815052139 /nfs/dbraw/zinc/05/21/39/815052139.db2.gz CBZQQIIIUOCYMD-NSHDSACASA-N 2 0 270.377 -0.832 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001151065993 815056772 /nfs/dbraw/zinc/05/67/72/815056772.db2.gz PDCKWZBEDGVYHW-OLZOCXBDSA-N 2 0 296.415 -0.440 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151048744 815052171 /nfs/dbraw/zinc/05/21/71/815052171.db2.gz FIWRDYAPMICYOS-NSHDSACASA-N 2 0 280.376 -0.545 20 0 CBADRP Cc1nn(C)cc1C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049039 815053320 /nfs/dbraw/zinc/05/33/20/815053320.db2.gz IDUYWYZJUGJHKV-GFCCVEGCSA-N 2 0 279.388 -0.114 20 0 CBADRP CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151064647 815053920 /nfs/dbraw/zinc/05/39/20/815053920.db2.gz CNYZYWSBIWBBSZ-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC001151056991 815054180 /nfs/dbraw/zinc/05/41/80/815054180.db2.gz PHMVPFRGZUKILJ-NXEZZACHSA-N 2 0 297.321 -0.043 20 0 CBADRP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070326875 805179457 /nfs/dbraw/zinc/17/94/57/805179457.db2.gz GZLHPCFPITUTLH-UPJWGTAASA-N 2 0 292.387 -0.409 20 0 CBADRP CN1CCC[C@H]([NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001151055992 815055237 /nfs/dbraw/zinc/05/52/37/815055237.db2.gz JTBPRGYJUWFOCC-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP COc1nccc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001151049811 815055681 /nfs/dbraw/zinc/05/56/81/815055681.db2.gz ZKKUBEKCFMKLMI-NSHDSACASA-N 2 0 293.371 -0.357 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC001151056994 815055776 /nfs/dbraw/zinc/05/57/76/815055776.db2.gz PHMVPFRGZUKILJ-ZJUUUORDSA-N 2 0 297.321 -0.043 20 0 CBADRP CCC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151065646 815056159 /nfs/dbraw/zinc/05/61/59/815056159.db2.gz LUVMBIZMXCWEGO-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCCN2CCCC2=O)C1 ZINC001151074562 815058872 /nfs/dbraw/zinc/05/88/72/815058872.db2.gz ZZMFBPMWIMKBQM-ZDUSSCGKSA-N 2 0 296.415 -0.344 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151096765 815060694 /nfs/dbraw/zinc/06/06/94/815060694.db2.gz FXZXHFRTZUOSNW-UHFFFAOYSA-N 2 0 280.376 -0.400 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151097294 815061091 /nfs/dbraw/zinc/06/10/91/815061091.db2.gz MTBFXKIUKFXIKM-UHFFFAOYSA-N 2 0 273.377 -0.549 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001151101167 815061403 /nfs/dbraw/zinc/06/14/03/815061403.db2.gz OWLORKVDHUECFB-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]CCN1CCCC1=O ZINC001151100382 815061482 /nfs/dbraw/zinc/06/14/82/815061482.db2.gz APLBDXNPKMSNOL-UHFFFAOYSA-N 2 0 282.388 -0.590 20 0 CBADRP CC(C)N1CC[C@H]([NH2+]CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001151101096 815062016 /nfs/dbraw/zinc/06/20/16/815062016.db2.gz LNGYKGQSQDKGFD-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001151100781 815062673 /nfs/dbraw/zinc/06/26/73/815062673.db2.gz HPGRROCISADQSJ-SNVBAGLBSA-N 2 0 256.350 -0.948 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCF ZINC001151157925 815064757 /nfs/dbraw/zinc/06/47/57/815064757.db2.gz MYSZSJTYLCGQAZ-NSHDSACASA-N 2 0 261.341 -0.370 20 0 CBADRP CCOCC[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151158098 815064981 /nfs/dbraw/zinc/06/49/81/815064981.db2.gz ODXMBQGBNZPJSW-ZDUSSCGKSA-N 2 0 287.404 -0.303 20 0 CBADRP COC[C@@H](C)[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151159930 815065406 /nfs/dbraw/zinc/06/54/06/815065406.db2.gz VMQFXYYGZKZJOW-CHWSQXEVSA-N 2 0 287.404 -0.305 20 0 CBADRP CO[C@@H](C)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151157306 815066017 /nfs/dbraw/zinc/06/60/17/815066017.db2.gz KBRWNNWAZGKVOX-OLZOCXBDSA-N 2 0 287.404 -0.305 20 0 CBADRP COCCC[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151156339 815066238 /nfs/dbraw/zinc/06/62/38/815066238.db2.gz ANJUWTYLRPBJTD-CYBMUJFWSA-N 2 0 287.404 -0.303 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCO)C2)C1CC1 ZINC001072814394 805337497 /nfs/dbraw/zinc/33/74/97/805337497.db2.gz CHVOBAAYFDWTRX-CYBMUJFWSA-N 2 0 281.400 -0.147 20 0 CBADRP O=C(CCC[NH+]1CCCCC1)NCC[NH2+][C@@H]1CCNC1=O ZINC001151361981 815072857 /nfs/dbraw/zinc/07/28/57/815072857.db2.gz RJAQCBUHJJXRHV-CYBMUJFWSA-N 2 0 296.415 -0.153 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)[C@@H]1C)[NH+](C)C ZINC001074709716 805467140 /nfs/dbraw/zinc/46/71/40/805467140.db2.gz NTRRVHAYRXLFEL-NOOOWODRSA-N 2 0 284.404 -0.221 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)[C@@H]1C)[NH+](C)C ZINC001074885647 805476107 /nfs/dbraw/zinc/47/61/07/805476107.db2.gz PYGWHATYDVANFW-RVMXOQNASA-N 2 0 296.415 -0.206 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C)[NH+](C)C ZINC001074885386 805476698 /nfs/dbraw/zinc/47/66/98/805476698.db2.gz APBRCDOTAUMKGN-SRVKXCTJSA-N 2 0 257.378 -0.102 20 0 CBADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C)C(N)=O ZINC001075108763 805483417 /nfs/dbraw/zinc/48/34/17/805483417.db2.gz KIHIJZKRNQUYDX-AVGNSLFASA-N 2 0 296.415 -0.075 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](C(=O)N2CCC([NH3+])CC2)CCN1 ZINC001160513280 815632183 /nfs/dbraw/zinc/63/21/83/815632183.db2.gz ARSHTTHJQMLXBF-ONGXEEELSA-N 2 0 269.345 -0.523 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001152138104 815106717 /nfs/dbraw/zinc/10/67/17/815106717.db2.gz RMNBJYHDOCSUDH-BETUJISGSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152138136 815107029 /nfs/dbraw/zinc/10/70/29/815107029.db2.gz SGJUTCVHSLKHDP-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001160538402 815633806 /nfs/dbraw/zinc/63/38/06/815633806.db2.gz XHYBVQSADIVGEB-NEPJUHHUSA-N 2 0 255.362 -0.491 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340034 815117198 /nfs/dbraw/zinc/11/71/98/815117198.db2.gz FDUDPWRSNGFBGG-UHFFFAOYSA-N 2 0 256.350 -0.947 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)c1ccccc1C[NH+](C)C)C(N)=O ZINC001152384648 815119344 /nfs/dbraw/zinc/11/93/44/815119344.db2.gz VVXWOWDAKNAZQE-NSHDSACASA-N 2 0 292.383 -0.059 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001152427377 815120810 /nfs/dbraw/zinc/12/08/10/815120810.db2.gz YDWRTMCTIYYKLU-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COC ZINC001152452046 815122405 /nfs/dbraw/zinc/12/24/05/815122405.db2.gz QUZQOYLQATYMJR-OLZOCXBDSA-N 2 0 287.404 -0.426 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COC ZINC001152452048 815122826 /nfs/dbraw/zinc/12/28/26/815122826.db2.gz QUZQOYLQATYMJR-STQMWFEESA-N 2 0 287.404 -0.426 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+]CCO)[NH+]1CCCC1 ZINC001152471670 815124219 /nfs/dbraw/zinc/12/42/19/815124219.db2.gz NUHHOHGUABVXKC-GFCCVEGCSA-N 2 0 257.378 -0.195 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CCO)[NH+]1CCCC1 ZINC001152471672 815124261 /nfs/dbraw/zinc/12/42/61/815124261.db2.gz NUHHOHGUABVXKC-LBPRGKRZSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001152458759 815124558 /nfs/dbraw/zinc/12/45/58/815124558.db2.gz SNXKCTGYWKPUFM-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cccc2ncnn21 ZINC001152891660 815140418 /nfs/dbraw/zinc/14/04/18/815140418.db2.gz QXVNNFINXACISO-UHFFFAOYSA-N 2 0 275.316 -0.196 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)CCCC[NH+]1CCCC1)C(N)=O ZINC001153299909 815157076 /nfs/dbraw/zinc/15/70/76/815157076.db2.gz FNYSPJNOUUQBAE-GFCCVEGCSA-N 2 0 284.404 -0.168 20 0 CBADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@@H](N)CC[NH3+] ZINC001160539640 815635586 /nfs/dbraw/zinc/63/55/86/815635586.db2.gz ZGBQJAWHMCEETQ-DTWKUNHWSA-N 2 0 264.333 -0.897 20 0 CBADRP CCOC(=O)[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001160580765 815641082 /nfs/dbraw/zinc/64/10/82/815641082.db2.gz AKIUWYVZFHRMPX-WDEREUQCSA-N 2 0 271.361 -0.003 20 0 CBADRP CCN(CC(N)=O)[C@H](C)CNC(=O)CCn1ccnc1 ZINC001154528919 815224824 /nfs/dbraw/zinc/22/48/24/815224824.db2.gz QPSMBZIOWIKNHJ-LLVKDONJSA-N 2 0 281.360 -0.415 20 0 CBADRP C[C@@H](CN1CC[NH2+]CC1)Nc1cc(C2C[NH2+]C2)ncn1 ZINC001154753787 815237828 /nfs/dbraw/zinc/23/78/28/815237828.db2.gz SMKUKMALWZUJMP-NSHDSACASA-N 2 0 276.388 -0.131 20 0 CBADRP Cc1cnc(N(CC[NH3+])S(C)(=O)=O)nc1C1C[NH2+]C1 ZINC001154773721 815240540 /nfs/dbraw/zinc/24/05/40/815240540.db2.gz RSBWHVMBFXPELL-UHFFFAOYSA-N 2 0 285.373 -0.803 20 0 CBADRP Cn1nc2c(c1C(=O)N(CCCC[NH3+])C(N)=[NH2+])CCC2 ZINC001154842225 815244701 /nfs/dbraw/zinc/24/47/01/815244701.db2.gz UCOKJSVULJQQTM-UHFFFAOYSA-N 2 0 278.360 -0.017 20 0 CBADRP C[NH+]1CCN(c2ccc(-n3cnc(C[NH3+])c3)nn2)CC1 ZINC001154905740 815248750 /nfs/dbraw/zinc/24/87/50/815248750.db2.gz OPJYJFWTEINIHK-UHFFFAOYSA-N 2 0 273.344 -0.127 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1c1cc(C2C[NH2+]C2)ncn1 ZINC001154999365 815256120 /nfs/dbraw/zinc/25/61/20/815256120.db2.gz MYMHIWYBGDJSJC-LBPRGKRZSA-N 2 0 277.372 -0.070 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1c1cc(C2C[NH2+]C2)ncn1 ZINC001154999364 815256566 /nfs/dbraw/zinc/25/65/66/815256566.db2.gz MYMHIWYBGDJSJC-GFCCVEGCSA-N 2 0 277.372 -0.070 20 0 CBADRP CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999725 815256573 /nfs/dbraw/zinc/25/65/73/815256573.db2.gz LOLHVXGHSRGZHJ-OLZOCXBDSA-N 2 0 289.420 -0.228 20 0 CBADRP c1nc(N[C@H]2COCCC23C[NH2+]C3)nc2c1C[NH2+]C2 ZINC001155468179 815285105 /nfs/dbraw/zinc/28/51/05/815285105.db2.gz JJXPJIYCEGAKGC-NSHDSACASA-N 2 0 261.329 -0.130 20 0 CBADRP c1nc2c(c(N[C@@H]3COCCC34C[NH2+]C4)n1)CC[NH2+]CC2 ZINC001155461389 815285200 /nfs/dbraw/zinc/28/52/00/815285200.db2.gz DGXHPLKFKDFBRP-CYBMUJFWSA-N 2 0 289.383 -0.045 20 0 CBADRP c1nc(N[C@H]2COCCC23C[NH2+]C3)nc2c1C[NH2+]CC2 ZINC001155462724 815285748 /nfs/dbraw/zinc/28/57/48/815285748.db2.gz SNOFROZCHMJDBE-LBPRGKRZSA-N 2 0 275.356 -0.087 20 0 CBADRP c1nc2c(c(N[C@H]3COCCC34C[NH2+]C4)n1)CC[NH2+]C2 ZINC001155462298 815285837 /nfs/dbraw/zinc/28/58/37/815285837.db2.gz POBJWNFKVCMMMJ-LBPRGKRZSA-N 2 0 275.356 -0.087 20 0 CBADRP c1nc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)nc2c1C[NH2+]C2 ZINC001155482908 815287344 /nfs/dbraw/zinc/28/73/44/815287344.db2.gz KILNXQLQZFJWCA-CKYFFXLPSA-N 2 0 261.329 -0.274 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ncnc3c2CC[NH2+]CC3)N1 ZINC001155568653 815292245 /nfs/dbraw/zinc/29/22/45/815292245.db2.gz BDDFOBDBBAJCSW-FZMZJTMJSA-N 2 0 288.355 -0.845 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001155789877 815310839 /nfs/dbraw/zinc/31/08/39/815310839.db2.gz GSOPWKOAPPPJOI-QWRGUYRKSA-N 2 0 268.361 -0.935 20 0 CBADRP CN(C(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001155790652 815311325 /nfs/dbraw/zinc/31/13/25/815311325.db2.gz LHCDNMJWWDFVQE-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155789192 815311367 /nfs/dbraw/zinc/31/13/67/815311367.db2.gz BGUMTKMFEABORG-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCn1ncc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001155790715 815311843 /nfs/dbraw/zinc/31/18/43/815311843.db2.gz MUKFWGQXQXFMHK-ZDUSSCGKSA-N 2 0 294.403 -0.012 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001155790690 815312238 /nfs/dbraw/zinc/31/22/38/815312238.db2.gz MDQBPPMNWXDRNA-NXEZZACHSA-N 2 0 256.350 -0.950 20 0 CBADRP CN1CCC[C@@H]([NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001155791628 815313503 /nfs/dbraw/zinc/31/35/03/815313503.db2.gz YFRYIODFEVTMEO-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C)c1nnnn1C ZINC001155810946 815314216 /nfs/dbraw/zinc/31/42/16/815314216.db2.gz DFIOVBYUSNQZPT-MNOVXSKESA-N 2 0 295.391 -0.539 20 0 CBADRP CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001155814097 815315385 /nfs/dbraw/zinc/31/53/85/815315385.db2.gz VGAVKFFHUSWQJJ-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cnon1 ZINC001155814757 815315461 /nfs/dbraw/zinc/31/54/61/815315461.db2.gz ZOTQAINZKFERPT-NSHDSACASA-N 2 0 267.333 -0.240 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cccc2nncn21 ZINC001156070921 815336939 /nfs/dbraw/zinc/33/69/39/815336939.db2.gz XWSJIEJLTMFPDY-UHFFFAOYSA-N 2 0 275.316 -0.196 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001086091225 810241751 /nfs/dbraw/zinc/24/17/51/810241751.db2.gz OKYZAYSNHVPNAZ-QNWHQSFQSA-N 2 0 296.415 -0.314 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001086272214 810253220 /nfs/dbraw/zinc/25/32/20/810253220.db2.gz YCDKMSRSIHUXDH-WUHRBBMRSA-N 2 0 294.399 -0.689 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086271904 810253574 /nfs/dbraw/zinc/25/35/74/810253574.db2.gz OCUYRVLWDUCHTA-LPWJVIDDSA-N 2 0 269.389 -0.197 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086328035 810261203 /nfs/dbraw/zinc/26/12/03/810261203.db2.gz YIWBXRAGOLWRLZ-GMTAPVOTSA-N 2 0 268.361 -0.950 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001086327738 810261545 /nfs/dbraw/zinc/26/15/45/810261545.db2.gz OSUSFVLHSVLQRC-LPWJVIDDSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001086371032 810265346 /nfs/dbraw/zinc/26/53/46/810265346.db2.gz MOXJYQXVWGYNMS-DDHJBXDOSA-N 2 0 282.388 -0.704 20 0 CBADRP O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001086372954 810265777 /nfs/dbraw/zinc/26/57/77/810265777.db2.gz FGWGCQOYSMELLK-XDQVBPFNSA-N 2 0 297.399 -0.674 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(N)=O ZINC001086370208 810265926 /nfs/dbraw/zinc/26/59/26/810265926.db2.gz WAQKXLMRQVGAMC-FPYNETTCSA-N 2 0 296.415 -0.315 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001086457416 810272098 /nfs/dbraw/zinc/27/20/98/810272098.db2.gz XVJGBMVQVLQFPY-CYDGBPFRSA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086551866 810279014 /nfs/dbraw/zinc/27/90/14/810279014.db2.gz OCUYRVLWDUCHTA-FDYHWXHSSA-N 2 0 269.389 -0.197 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCO)C1 ZINC001086659854 810281768 /nfs/dbraw/zinc/28/17/68/810281768.db2.gz NVCNNJVGYLGZLL-XQQFMLRXSA-N 2 0 269.389 -0.053 20 0 CBADRP Cc1nccn2c(C(=O)N(CCCC[NH3+])C(N)=[NH2+])nnc12 ZINC001156419322 815358669 /nfs/dbraw/zinc/35/86/69/815358669.db2.gz LYGXBOXUSKCZCD-UHFFFAOYSA-N 2 0 290.331 -0.493 20 0 CBADRP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C1)[NH+](C)C ZINC001088010660 810317441 /nfs/dbraw/zinc/31/74/41/810317441.db2.gz DURNCLPFYOBWGM-FRRDWIJNSA-N 2 0 296.415 -0.408 20 0 CBADRP [NH3+]CCc1nccn1-c1ncnc2c1CC[NH2+]CC2 ZINC001156477767 815360757 /nfs/dbraw/zinc/36/07/57/815360757.db2.gz KNDFJXRCQAKBLX-UHFFFAOYSA-N 2 0 258.329 -0.148 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC(N)=O)C1 ZINC001088279318 810325554 /nfs/dbraw/zinc/32/55/54/810325554.db2.gz PWLKTJBHFBMGSU-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP COC(=O)C1(Nc2cc3c(nn2)CC[NH2+]C3)CC[NH2+]CC1 ZINC001156535945 815364270 /nfs/dbraw/zinc/36/42/70/815364270.db2.gz LSOUXXLXORWFPE-UHFFFAOYSA-N 2 0 291.355 -0.171 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001090731122 810560303 /nfs/dbraw/zinc/56/03/03/810560303.db2.gz PQWLWTMOTVIYOB-CHWSQXEVSA-N 2 0 297.399 -0.984 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090818961 810571998 /nfs/dbraw/zinc/57/19/98/810571998.db2.gz YMVNWPBMBISJIP-CHWSQXEVSA-N 2 0 285.388 -0.720 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001090957177 810582800 /nfs/dbraw/zinc/58/28/00/810582800.db2.gz YIWBXRAGOLWRLZ-ILDUYXDCSA-N 2 0 268.361 -0.950 20 0 CBADRP O=C(NCC1CC([NH2+]CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001091027291 810586987 /nfs/dbraw/zinc/58/69/87/810586987.db2.gz CZLNCSPBDKAOHE-UXUKBGGZSA-N 2 0 281.400 -0.195 20 0 CBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001091201436 810597660 /nfs/dbraw/zinc/59/76/60/810597660.db2.gz SIAVEGXDZGIIHR-JXQTWKCFSA-N 2 0 299.415 -0.428 20 0 CBADRP [NH3+]CCc1ccn(-c2ccc(N3CC[NH2+]CC3)nn2)n1 ZINC001156898484 815388209 /nfs/dbraw/zinc/38/82/09/815388209.db2.gz NWZPDZHGOPKTPZ-UHFFFAOYSA-N 2 0 273.344 -0.427 20 0 CBADRP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](CC(N)=O)C2 ZINC001092275825 810627776 /nfs/dbraw/zinc/62/77/76/810627776.db2.gz RQOMYEANSNBCEP-DOMZBBRYSA-N 2 0 294.399 -0.652 20 0 CBADRP N=c1cc(C[NH3+])ccn1-c1ccc(N2CC[NH2+]CC2)nn1 ZINC001156850282 815384621 /nfs/dbraw/zinc/38/46/21/815384621.db2.gz WFLAMZLJARXYJY-UHFFFAOYSA-N 2 0 285.355 -0.385 20 0 CBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092736322 810639739 /nfs/dbraw/zinc/63/97/39/810639739.db2.gz PRDZYRQUFQHWEL-UPJWGTAASA-N 2 0 296.415 -0.360 20 0 CBADRP CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001093308831 810651244 /nfs/dbraw/zinc/65/12/44/810651244.db2.gz MHTOVCYSLFHYJC-ZDUSSCGKSA-N 2 0 292.387 -0.135 20 0 CBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO)C12CC[NH+](CC1)C2 ZINC001098224926 810835788 /nfs/dbraw/zinc/83/57/88/810835788.db2.gz MSVULXJGWVBLHC-UPJWGTAASA-N 2 0 279.384 -0.204 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH+](CCO)CCO)CC1 ZINC001098450592 810846017 /nfs/dbraw/zinc/84/60/17/810846017.db2.gz CCWYBIBJSXUYCA-CQSZACIVSA-N 2 0 299.415 -0.642 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH+](CCO)CCO)CC2)C1 ZINC001098560831 810851463 /nfs/dbraw/zinc/85/14/63/810851463.db2.gz CZEXXNBIZGNNQN-CYBMUJFWSA-N 2 0 299.415 -0.784 20 0 CBADRP NC(=O)c1cccnc1NC(=[NH2+])NCCCC[NH3+] ZINC001157093494 815403672 /nfs/dbraw/zinc/40/36/72/815403672.db2.gz CQUQNYUZOJNXMV-UHFFFAOYSA-N 2 0 250.306 -0.144 20 0 CBADRP COC(=O)c1nccnc1NC(=[NH2+])NCCCC[NH3+] ZINC001157094887 815404118 /nfs/dbraw/zinc/40/41/18/815404118.db2.gz YBTNKUNQSSYQCY-UHFFFAOYSA-N 2 0 266.305 -0.062 20 0 CBADRP NC(=O)c1c(Cl)ncnc1NC(=[NH2+])NCCCC[NH3+] ZINC001157096405 815404409 /nfs/dbraw/zinc/40/44/09/815404409.db2.gz JIHLZQAGJAYUTK-UHFFFAOYSA-N 2 0 285.739 -0.096 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@H]2O)CCC1 ZINC001099874186 810960332 /nfs/dbraw/zinc/96/03/32/810960332.db2.gz HIJMWXJTNWCECQ-QWHCGFSZSA-N 2 0 299.415 -0.596 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@H]2O)CC1 ZINC001099971413 810980503 /nfs/dbraw/zinc/98/05/03/810980503.db2.gz HJXKKYGRLFSAHD-QWHCGFSZSA-N 2 0 299.415 -0.738 20 0 CBADRP CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099973341 810981223 /nfs/dbraw/zinc/98/12/23/810981223.db2.gz BIYJNKXTLONVPX-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001099986547 810985510 /nfs/dbraw/zinc/98/55/10/810985510.db2.gz MIASNROBTANLOA-VXGBXAGGSA-N 2 0 275.368 -0.151 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099988340 810986709 /nfs/dbraw/zinc/98/67/09/810986709.db2.gz HDUUTXDMSLKOIE-VXGBXAGGSA-N 2 0 257.378 -0.102 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CC)C[C@H]1O ZINC001100041770 811001756 /nfs/dbraw/zinc/00/17/56/811001756.db2.gz NZAGXPXCCKCXSV-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100042117 811005123 /nfs/dbraw/zinc/00/51/23/811005123.db2.gz UBATWEDIAYTSGO-CHWSQXEVSA-N 2 0 287.404 -0.738 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100073475 811013871 /nfs/dbraw/zinc/01/38/71/811013871.db2.gz CQQBGEBYOCXBOG-QWHCGFSZSA-N 2 0 287.404 -0.476 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074645 811014329 /nfs/dbraw/zinc/01/43/29/811014329.db2.gz QOQRRYKSZFLCCF-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001100077017 811014506 /nfs/dbraw/zinc/01/45/06/811014506.db2.gz WQQVYLZZPDMSGV-KBPBESRZSA-N 2 0 299.415 -0.474 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCCO)C[C@H]1O ZINC001100080958 811016005 /nfs/dbraw/zinc/01/60/05/811016005.db2.gz OEQZRSULCYZNJU-QWHCGFSZSA-N 2 0 287.404 -0.738 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCO)C[C@@H]1O ZINC001100080956 811017849 /nfs/dbraw/zinc/01/78/49/811017849.db2.gz OEQZRSULCYZNJU-OLZOCXBDSA-N 2 0 287.404 -0.738 20 0 CBADRP CCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100109184 811021646 /nfs/dbraw/zinc/02/16/46/811021646.db2.gz AOZKJCVHVKKDBL-KBPBESRZSA-N 2 0 299.415 -0.330 20 0 CBADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100127785 811025572 /nfs/dbraw/zinc/02/55/72/811025572.db2.gz YUOWAWGBWGEECZ-ZIAGYGMSSA-N 2 0 299.415 -0.594 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCO)C1 ZINC001100187959 811035508 /nfs/dbraw/zinc/03/55/08/811035508.db2.gz UFDPLIIPFKEPJK-BPCQOVAHSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH+](C)[C@H](C(=O)NCC1CC([NH2+]CCO)C1)C1CC1 ZINC001100407711 811056882 /nfs/dbraw/zinc/05/68/82/811056882.db2.gz GTPCRKMESRYPLA-GDKBPFBDSA-N 2 0 269.389 -0.197 20 0 CBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001100407597 811057120 /nfs/dbraw/zinc/05/71/20/811057120.db2.gz BSDCHOQGXYGMOO-OVGLSYRBSA-N 2 0 296.415 -0.443 20 0 CBADRP CC[C@H](C(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001100442790 811058217 /nfs/dbraw/zinc/05/82/17/811058217.db2.gz WDAPDYAVGCFWAD-WXRRBKDZSA-N 2 0 298.431 -0.101 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC2CC([NH2+]CC(N)=O)C2)CC1 ZINC001100617213 811066080 /nfs/dbraw/zinc/06/60/80/811066080.db2.gz IWQOEPNDXXYWFZ-UHFFFAOYSA-N 2 0 282.388 -0.702 20 0 CBADRP C[NH+](C)CCC(=O)NCC1CC([NH2+]CC(=O)NC2CC2)C1 ZINC001100637359 811070032 /nfs/dbraw/zinc/07/00/32/811070032.db2.gz OPNYRFDAUYZAIR-UHFFFAOYSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]([NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001100638569 811070686 /nfs/dbraw/zinc/07/06/86/811070686.db2.gz SHYAAMOEGBWUIP-HIFPTAJRSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](O)C[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637580 811071966 /nfs/dbraw/zinc/07/19/66/811071966.db2.gz YPDXKPXLJDCXNF-VOMCLLRMSA-N 2 0 257.378 -0.197 20 0 CBADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1 ZINC001100769461 811078689 /nfs/dbraw/zinc/07/86/89/811078689.db2.gz LGHXIYUDZDYBAV-UHFFFAOYSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+][C@@H](C)C(N)=O)C1 ZINC001100769348 811078984 /nfs/dbraw/zinc/07/89/84/811078984.db2.gz GCJIQQZSIDVJDJ-UNXYVOJBSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH+]1CCC(OCC(=O)NCC2CC([NH2+]CCO)C2)CC1 ZINC001100800168 811080502 /nfs/dbraw/zinc/08/05/02/811080502.db2.gz ZGPIUNCMOVOMEY-UHFFFAOYSA-N 2 0 299.415 -0.426 20 0 CBADRP CN(C)C(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001100981021 811089028 /nfs/dbraw/zinc/08/90/28/811089028.db2.gz RCCDOZNCXDJAAF-OTTFEQOBSA-N 2 0 296.415 -0.489 20 0 CBADRP NC(=O)C[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100986343 811089751 /nfs/dbraw/zinc/08/97/51/811089751.db2.gz RHYIFEQHVDQDNH-UHFFFAOYSA-N 2 0 268.361 -0.948 20 0 CBADRP CC[C@H]([NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001100984576 811089777 /nfs/dbraw/zinc/08/97/77/811089777.db2.gz NCGKIVXVQRXLJK-BPCQOVAHSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](O)C[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100986625 811089870 /nfs/dbraw/zinc/08/98/70/811089870.db2.gz XLRFSIDXQYBWSK-HIFPTAJRSA-N 2 0 269.389 -0.053 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCCC[NH2+]C1 ZINC001157322848 815422564 /nfs/dbraw/zinc/42/25/64/815422564.db2.gz AMXFZYKUSKDGMZ-RYUDHWBXSA-N 2 0 284.404 -0.264 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC001157323303 815422995 /nfs/dbraw/zinc/42/29/95/815422995.db2.gz GIYLSWOWGKOPAV-RYUDHWBXSA-N 2 0 284.404 -0.264 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC001157323230 815423247 /nfs/dbraw/zinc/42/32/47/815423247.db2.gz NLUMBPBMCYYNQP-TUAOUCFPSA-N 2 0 284.404 -0.266 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC001157323129 815423312 /nfs/dbraw/zinc/42/33/12/815423312.db2.gz NLUMBPBMCYYNQP-SRVKXCTJSA-N 2 0 284.404 -0.266 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])C(C)C ZINC001157323514 815423440 /nfs/dbraw/zinc/42/34/40/815423440.db2.gz SUKPBDIOABNMAV-UWVGGRQHSA-N 2 0 258.366 -0.671 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001157334916 815424104 /nfs/dbraw/zinc/42/41/04/815424104.db2.gz ATRCFPWVNGYBIM-AXFHLTTASA-N 2 0 288.367 -0.706 20 0 CBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047697 811146318 /nfs/dbraw/zinc/14/63/18/811146318.db2.gz QBZXLJGBYJWMMC-QKCSRTOESA-N 2 0 296.415 -0.504 20 0 CBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102366946 811152263 /nfs/dbraw/zinc/15/22/63/811152263.db2.gz VWTFIDLJRLJCTA-FRRDWIJNSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102319075 811152313 /nfs/dbraw/zinc/15/23/13/811152313.db2.gz XSYBLMSHTKKMNL-GRYCIOLGSA-N 2 0 284.404 -0.504 20 0 CBADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318645 811153151 /nfs/dbraw/zinc/15/31/51/811153151.db2.gz CMPVAKTYJSLTFN-JHJVBQTASA-N 2 0 296.415 -0.489 20 0 CBADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102314720 811153442 /nfs/dbraw/zinc/15/34/42/811153442.db2.gz XHSREXNQUVKUNQ-VXGBXAGGSA-N 2 0 284.404 -0.632 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1cc(C[NH3+])ccn1 ZINC001157351987 815426304 /nfs/dbraw/zinc/42/63/04/815426304.db2.gz LFCJJQGJZYFSLK-NSHDSACASA-N 2 0 293.371 -0.486 20 0 CBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722665 811186077 /nfs/dbraw/zinc/18/60/77/811186077.db2.gz YQRQODAJPFLUKJ-CHWSQXEVSA-N 2 0 296.415 -0.358 20 0 CBADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001104690289 811210134 /nfs/dbraw/zinc/21/01/34/811210134.db2.gz CJQNYMUQUFMMGD-UPJWGTAASA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]CC(N)=O ZINC001105014343 811213464 /nfs/dbraw/zinc/21/34/64/811213464.db2.gz LAOKUAGLWRZCBE-CHWSQXEVSA-N 2 0 296.415 -0.358 20 0 CBADRP Cn1ccnc1CCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001157423302 815432807 /nfs/dbraw/zinc/43/28/07/815432807.db2.gz RFYNCVSJIQSIHZ-LBPRGKRZSA-N 2 0 291.399 -0.047 20 0 CBADRP Cn1ccnc1CCNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157423287 815432960 /nfs/dbraw/zinc/43/29/60/815432960.db2.gz QSTCETAHSJPDSU-JTQLQIEISA-N 2 0 253.350 -0.465 20 0 CBADRP Cc1cc(N(C(=N)N)C(=O)[C@@H]([NH3+])CCCC[NH3+])n[nH]1 ZINC001157439850 815433903 /nfs/dbraw/zinc/43/39/03/815433903.db2.gz NKQJCYMRLSPGHL-QMMMGPOBSA-N 2 0 267.337 -0.599 20 0 CBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC001157448744 815435033 /nfs/dbraw/zinc/43/50/33/815435033.db2.gz IHMIQSVKBILVRC-JTQLQIEISA-N 2 0 271.361 -0.146 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105942124 811280321 /nfs/dbraw/zinc/28/03/21/811280321.db2.gz ZNEGPWWCAQMRPR-UPJWGTAASA-N 2 0 296.415 -0.489 20 0 CBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)CC[NH2+]C)CC1 ZINC001157448765 815435927 /nfs/dbraw/zinc/43/59/27/815435927.db2.gz IZBSNQGKGGWUDQ-UHFFFAOYSA-N 2 0 271.361 -0.131 20 0 CBADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106246583 811304029 /nfs/dbraw/zinc/30/40/29/811304029.db2.gz PCFSQTHRUSKEHA-VXGBXAGGSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001106599435 811311360 /nfs/dbraw/zinc/31/13/60/811311360.db2.gz IAXQHUYVIZIRDQ-VXGBXAGGSA-N 2 0 284.404 -0.502 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCO ZINC001106983911 811320721 /nfs/dbraw/zinc/32/07/21/811320721.db2.gz OYRZUKHQMNZSOT-CHWSQXEVSA-N 2 0 269.389 -0.241 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981117 811320843 /nfs/dbraw/zinc/32/08/43/811320843.db2.gz GJYZZNGQUIVQGE-JHJVBQTASA-N 2 0 296.415 -0.632 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981115 811321399 /nfs/dbraw/zinc/32/13/99/811321399.db2.gz GJYZZNGQUIVQGE-FRRDWIJNSA-N 2 0 296.415 -0.632 20 0 CBADRP CNC(=O)C1CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001157494837 815439203 /nfs/dbraw/zinc/43/92/03/815439203.db2.gz BWGAZZKTWFOMFQ-LBPRGKRZSA-N 2 0 282.388 -0.702 20 0 CBADRP COC(=O)N1CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001157508292 815439797 /nfs/dbraw/zinc/43/97/97/815439797.db2.gz RTWMYZLJHTZIJC-NSHDSACASA-N 2 0 284.360 -0.776 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2 ZINC001107530726 811339749 /nfs/dbraw/zinc/33/97/49/811339749.db2.gz INNCPHLATPBSAR-IUODEOHRSA-N 2 0 296.415 -0.216 20 0 CBADRP CNC(=O)C1CCN(C(=O)[C@H](CCCC[NH3+])[NH2+]C)CC1 ZINC001157495972 815440298 /nfs/dbraw/zinc/44/02/98/815440298.db2.gz QMEIJAYURWEZDT-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@@H]2C[NH2+]Cc3ccnn3C2)C[C@H]1F ZINC001157532675 815441974 /nfs/dbraw/zinc/44/19/74/815441974.db2.gz XDIWTVKIBKYHES-IEBDPFPHSA-N 2 0 267.308 -0.890 20 0 CBADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157535642 815442145 /nfs/dbraw/zinc/44/21/45/815442145.db2.gz DGRJATVKMCNYJO-UTLUCORTSA-N 2 0 289.351 -0.186 20 0 CBADRP CN1CC[NH+](CCC(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)CC1 ZINC001157530863 815442278 /nfs/dbraw/zinc/44/22/78/815442278.db2.gz KZPOSDBJICLXNJ-MNOVXSKESA-N 2 0 258.341 -0.869 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@@H]2CCSC23C[NH2+]C3)C[C@H]1F ZINC001157536415 815442380 /nfs/dbraw/zinc/44/23/80/815442380.db2.gz LYVYGFNSAPLWHG-YIZRAAEISA-N 2 0 259.350 -0.411 20 0 CBADRP [NH3+][C@H]1CN(C(=O)C[C@H]2C[C@H]3C[NH2+]C[C@H]3O2)C[C@H]1F ZINC001157535548 815442403 /nfs/dbraw/zinc/44/24/03/815442403.db2.gz BTODHMUWJNPJPR-UNQZSWDGSA-N 2 0 257.309 -0.739 20 0 CBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC(N2CC(F)C2)C1 ZINC001157529097 815442683 /nfs/dbraw/zinc/44/26/83/815442683.db2.gz XFJDYZZENALKQF-ZDUSSCGKSA-N 2 0 296.390 -0.275 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@H]2CCSC23C[NH2+]C3)C[C@H]1F ZINC001157536414 815442840 /nfs/dbraw/zinc/44/28/40/815442840.db2.gz LYVYGFNSAPLWHG-HLTSFMKQSA-N 2 0 259.350 -0.411 20 0 CBADRP CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)C1 ZINC001157538837 815443450 /nfs/dbraw/zinc/44/34/50/815443450.db2.gz TUVNRVVYHMYXGB-OUAUKWLOSA-N 2 0 272.368 -0.434 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1F ZINC001157537148 815443648 /nfs/dbraw/zinc/44/36/48/815443648.db2.gz ZHSUGWWMEUSQCU-VWYCJHECSA-N 2 0 271.336 -0.347 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@H]2CCCCN2[C@H]2CC[NH2+]C2)C[C@H]1F ZINC001157545699 815445041 /nfs/dbraw/zinc/44/50/41/815445041.db2.gz YZHUUCSEPJYZEQ-QNWHQSFQSA-N 2 0 284.379 -0.290 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C1 ZINC001157633179 815449519 /nfs/dbraw/zinc/44/95/19/815449519.db2.gz KINUHEYZEPLRCI-NWDGAFQWSA-N 2 0 266.389 -0.380 20 0 CBADRP NC(=[NH2+])c1nccn1-c1ncnc2c1CC[NH2+]CC2 ZINC001157621743 815448080 /nfs/dbraw/zinc/44/80/80/815448080.db2.gz XSAMSEWJFBHSGS-UHFFFAOYSA-N 2 0 257.301 -0.365 20 0 CBADRP NC(=[NH2+])c1nccn1-c1nccc(N2CCC([NH3+])CC2)n1 ZINC001157627295 815448580 /nfs/dbraw/zinc/44/85/80/815448580.db2.gz UIBWFIJAHQNXDF-UHFFFAOYSA-N 2 0 286.343 -0.126 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)CC1CC[NH2+]CC1 ZINC001157715218 815455462 /nfs/dbraw/zinc/45/54/62/815455462.db2.gz CLIQUCIJXPFAQM-LBPRGKRZSA-N 2 0 255.362 -0.177 20 0 CBADRP COC(=O)[C@]1(F)CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001157715629 815455483 /nfs/dbraw/zinc/45/54/83/815455483.db2.gz HPXKOFOTTGIWAD-GWCFXTLKSA-N 2 0 289.351 -0.054 20 0 CBADRP C[NH+](C)C1CN(C(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C1 ZINC001157688236 815452875 /nfs/dbraw/zinc/45/28/75/815452875.db2.gz ALYTXWNDXXCEOM-QWHCGFSZSA-N 2 0 280.416 -0.167 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)C[C@@H]2C[NH2+]CCO2)C1 ZINC001157716671 815455563 /nfs/dbraw/zinc/45/55/63/815455563.db2.gz QNIAYXNNILVNPL-GRYCIOLGSA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)N(C)C[C@@H]1C[NH2+]CCO1 ZINC001157716685 815455060 /nfs/dbraw/zinc/45/50/60/815455060.db2.gz QNSIXAGLZALLCW-GRYCIOLGSA-N 2 0 287.404 -0.036 20 0 CBADRP [NH3+][C@H](C(=O)N1Cc2cncnc2C1)C1CC[NH2+]CC1 ZINC001157716522 815455410 /nfs/dbraw/zinc/45/54/10/815455410.db2.gz OYWHFGSYSBNINT-LBPRGKRZSA-N 2 0 261.329 -0.354 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCOCC(F)(F)C1 ZINC001157708058 815455764 /nfs/dbraw/zinc/45/57/64/815455764.db2.gz HEJWFRJPJYEYTI-QMMMGPOBSA-N 2 0 251.277 -0.453 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1Cc2cncnc2C1 ZINC001157708020 815455814 /nfs/dbraw/zinc/45/58/14/815455814.db2.gz FUMKDVJFWNUSPI-SNVBAGLBSA-N 2 0 259.313 -0.872 20 0 CBADRP C[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277366 811544149 /nfs/dbraw/zinc/54/41/49/811544149.db2.gz OFDRQHNCMSIRQO-DGAVXFQQSA-N 2 0 299.415 -0.333 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)C[C@H]1C[NH2+]CCO1 ZINC001157717334 815456549 /nfs/dbraw/zinc/45/65/49/815456549.db2.gz ZMBYRKGQNRDHSR-TUAOUCFPSA-N 2 0 255.362 -0.179 20 0 CBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)C[C@@H]([NH3+])COC(C)(C)C ZINC001157717166 815456742 /nfs/dbraw/zinc/45/67/42/815456742.db2.gz XMPOLQKADONZLZ-VXGBXAGGSA-N 2 0 287.404 -0.034 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001157720220 815456913 /nfs/dbraw/zinc/45/69/13/815456913.db2.gz CUHGDTPHYDDQOK-HBNTYKKESA-N 2 0 259.325 -0.619 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)C[C@@H]1C[NH2+]CCO1 ZINC001157717332 815456922 /nfs/dbraw/zinc/45/69/22/815456922.db2.gz ZMBYRKGQNRDHSR-SDDRHHMPSA-N 2 0 255.362 -0.179 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)CCCCNC(N)=[NH2+] ZINC001157721008 815457083 /nfs/dbraw/zinc/45/70/83/815457083.db2.gz RKMXAOUUDVFOGM-JTQLQIEISA-N 2 0 271.365 -0.913 20 0 CBADRP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCO)C2 ZINC001111864321 811559952 /nfs/dbraw/zinc/55/99/52/811559952.db2.gz KORJFFRXDCHWFM-JSGCOSHPSA-N 2 0 269.389 -0.099 20 0 CBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H]1C[N@@H+](C(C)(C)C)CCN1 ZINC001157720253 815457242 /nfs/dbraw/zinc/45/72/42/815457242.db2.gz DPDAIGOVZPPLDU-CHWSQXEVSA-N 2 0 298.431 -0.495 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC[C@H](F)C(=O)C1 ZINC001157729715 815457952 /nfs/dbraw/zinc/45/79/52/815457952.db2.gz DEPASFDWXVKVAJ-IUCAKERBSA-N 2 0 277.365 -0.465 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCC[C@@H](F)C(=O)C1)C1CC[NH2+]CC1 ZINC001157729656 815458309 /nfs/dbraw/zinc/45/83/09/815458309.db2.gz CTSCARQBWVLJTP-ZYHUDNBSSA-N 2 0 271.336 -0.157 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC(F)(F)CC[C@H]1CO ZINC001157730036 815458398 /nfs/dbraw/zinc/45/83/98/815458398.db2.gz GYWINQOGCYVAML-VHSXEESVSA-N 2 0 289.326 -0.586 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@H](CO)C[C@H](F)C1 ZINC001157731544 815458919 /nfs/dbraw/zinc/45/89/19/815458919.db2.gz VVVXLNCNTXBJIU-WOPDTQHZSA-N 2 0 275.368 -0.118 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157748802 815461692 /nfs/dbraw/zinc/46/16/92/815461692.db2.gz YTYATSXMHPEDPU-KFHAODIQSA-N 2 0 293.408 -0.238 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC001157741132 815460420 /nfs/dbraw/zinc/46/04/20/815460420.db2.gz TUOLBZUEHHUHAP-CYBMUJFWSA-N 2 0 272.368 -0.429 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157739114 815460421 /nfs/dbraw/zinc/46/04/21/815460421.db2.gz FPRDINBUISRJDI-SKDRFNHKSA-N 2 0 261.341 -0.236 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC001157746295 815461310 /nfs/dbraw/zinc/46/13/10/815461310.db2.gz PNRYVDNUNKZHCM-FOGDFJRCSA-N 2 0 259.325 -0.754 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC[C@@](O)(CF)CC1 ZINC001157780414 815466021 /nfs/dbraw/zinc/46/60/21/815466021.db2.gz FICHUDMXYQLTAV-JQWIXIFHSA-N 2 0 261.341 -0.234 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)CCN1 ZINC001157798446 815467067 /nfs/dbraw/zinc/46/70/67/815467067.db2.gz BCDNSCDDLOMGFI-RHYQMDGZSA-N 2 0 283.372 -0.277 20 0 CBADRP C[C@@H]1CCN(C(=O)COCCOCC[NH3+])C[C@@H]1[NH3+] ZINC001157798467 815467285 /nfs/dbraw/zinc/46/72/85/815467285.db2.gz BYQQLFVIJSLZRO-MNOVXSKESA-N 2 0 259.350 -0.826 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC001157753863 815462859 /nfs/dbraw/zinc/46/28/59/815462859.db2.gz GVLNCOQGCJHBQH-WCQYABFASA-N 2 0 273.352 -0.268 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)CC1 ZINC001157756347 815463071 /nfs/dbraw/zinc/46/30/71/815463071.db2.gz XQZUNNUYKUZELJ-NHCYSSNCSA-N 2 0 259.325 -0.611 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157799637 815468528 /nfs/dbraw/zinc/46/85/28/815468528.db2.gz OXXPWHCFTYGLPI-WOPDTQHZSA-N 2 0 284.404 -0.328 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C[C@@H]1[NH3+] ZINC001157799328 815468574 /nfs/dbraw/zinc/46/85/74/815468574.db2.gz KLGBENVXBXMGHO-NRWUCQMLSA-N 3 0 266.389 -0.619 20 0 CBADRP C[C@@H]1CCN(C(=O)CC[NH+]2CCC(C(N)=O)CC2)C[C@@H]1[NH3+] ZINC001157799600 815468585 /nfs/dbraw/zinc/46/85/85/815468585.db2.gz OGUGGWXDAODTGN-YPMHNXCESA-N 2 0 296.415 -0.231 20 0 CBADRP [NH3+]C[C@]1(F)CCN(c2cncc(N3CC[NH2+]CC3)n2)C1 ZINC001157812985 815469935 /nfs/dbraw/zinc/46/99/35/815469935.db2.gz NMSUOTHYXZQLEM-CYBMUJFWSA-N 2 0 280.351 -0.237 20 0 CBADRP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001157841801 815470655 /nfs/dbraw/zinc/47/06/55/815470655.db2.gz HXZBOSNZSMTHSX-KSFQGOMNSA-N 2 0 266.389 -0.206 20 0 CBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001157843794 815470664 /nfs/dbraw/zinc/47/06/64/815470664.db2.gz SWSJSBGTVCSZQC-ACQVZOFHSA-N 2 0 275.418 -0.332 20 0 CBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001157844912 815471111 /nfs/dbraw/zinc/47/11/11/815471111.db2.gz YIVDLYAJVDFKOS-RTXFEEFZSA-N 3 0 268.405 -0.101 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCCC(=O)[C@H](F)C1)C1CC[NH2+]CC1 ZINC001157854444 815473870 /nfs/dbraw/zinc/47/38/70/815473870.db2.gz DKRWFHLGSOQBKM-ZYHUDNBSSA-N 2 0 271.336 -0.157 20 0 CBADRP C[NH2+][C@@H]1CCCN(CC(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)C1 ZINC001157804902 815468432 /nfs/dbraw/zinc/46/84/32/815468432.db2.gz ZOORYMJBVSKHPN-UPJWGTAASA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@]2(C)CC[NH2+]C[C@H]2O)C[C@@H]1[NH3+] ZINC001157798571 815468449 /nfs/dbraw/zinc/46/84/49/815468449.db2.gz FFKPEVQPBQTNAC-LSCVPOLPSA-N 2 0 255.362 -0.457 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001157887868 815476505 /nfs/dbraw/zinc/47/65/05/815476505.db2.gz ZGGHVSUPJYPAFX-NSHDSACASA-N 2 0 270.377 -0.560 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157900446 815477747 /nfs/dbraw/zinc/47/77/47/815477747.db2.gz JLOCGLSRBNDYMS-UWVGGRQHSA-N 2 0 289.326 -0.729 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157902395 815479184 /nfs/dbraw/zinc/47/91/84/815479184.db2.gz APOIPQKKVIUQAV-SRVKXCTJSA-N 2 0 273.377 -0.966 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157934558 815486880 /nfs/dbraw/zinc/48/68/80/815486880.db2.gz LVLQVAXUKHZRNG-WOPDTQHZSA-N 2 0 273.377 -0.966 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157970964 815493400 /nfs/dbraw/zinc/49/34/00/815493400.db2.gz UJODGUYVTUTDAK-IHRRRGAJSA-N 2 0 275.352 -0.118 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157961161 815493551 /nfs/dbraw/zinc/49/35/51/815493551.db2.gz XWCBITPACAJWAU-CHWSQXEVSA-N 2 0 263.341 -0.131 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCNCC(F)(F)C1 ZINC001157937658 815488481 /nfs/dbraw/zinc/48/84/81/815488481.db2.gz ZBTAYOOJKRDMKE-VIFPVBQESA-N 2 0 264.320 -0.490 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])[C@H]1CC[C@H](O)CC1 ZINC001157997118 815496188 /nfs/dbraw/zinc/49/61/88/815496188.db2.gz IGWNMEPQDMYMOX-DCAQKATOSA-N 2 0 275.418 -0.233 20 0 CBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070154 815500080 /nfs/dbraw/zinc/50/00/80/815500080.db2.gz CHJINSGCDIEWCT-GDNZZTSVSA-N 2 0 265.357 -0.567 20 0 CBADRP O=C([C@H]1CC[NH2+]C[C@H]1F)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158077272 815502115 /nfs/dbraw/zinc/50/21/15/815502115.db2.gz SHSCACSSIHQSFQ-NWDGAFQWSA-N 2 0 285.363 -0.085 20 0 CBADRP C[C@@]1(C(=O)N2CCOC3(CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC001158077355 815502681 /nfs/dbraw/zinc/50/26/81/815502681.db2.gz UEZCIBKMJMUXOH-CYBMUJFWSA-N 2 0 267.373 -0.033 20 0 CBADRP [NH3+]Cc1nnnn1-c1cc(Cl)nc2c1CC[NH2+]C2 ZINC001158077801 815502694 /nfs/dbraw/zinc/50/26/94/815502694.db2.gz WLMONFAHZHOICX-UHFFFAOYSA-N 2 0 265.708 -0.185 20 0 CBADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@H]1C[NH2+]CCN1)CC2 ZINC001158082803 815503377 /nfs/dbraw/zinc/50/33/77/815503377.db2.gz RXYSAEHVMCYQPD-LLVKDONJSA-N 2 0 252.362 -0.722 20 0 CBADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CCN3)CC2 ZINC001158081656 815503459 /nfs/dbraw/zinc/50/34/59/815503459.db2.gz FVDRLTLGLPLKPC-NHYWBVRUSA-N 2 0 278.400 -0.332 20 0 CBADRP CC1(C)C[NH2+][C@](C)(C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)C1 ZINC001158091509 815503749 /nfs/dbraw/zinc/50/37/49/815503749.db2.gz DNFUIRQPJRAPGZ-LSDHHAIUSA-N 2 0 294.399 -0.545 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091744 815503814 /nfs/dbraw/zinc/50/38/14/815503814.db2.gz HVANCOZGPCIVDO-MJVIPROJSA-N 2 0 280.372 -0.935 20 0 CBADRP [NH3+]CC1CCC(C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)CC1 ZINC001158102708 815504209 /nfs/dbraw/zinc/50/42/09/815504209.db2.gz VYMWMUUGEOUOIK-QOZQQMKHSA-N 2 0 294.399 -0.558 20 0 CBADRP Cc1nc(CC[NH3+])nn1-c1cncc(N2CC[NH2+]CC2)n1 ZINC001158131602 815506372 /nfs/dbraw/zinc/50/63/72/815506372.db2.gz ZWJVSSNGCUSANS-UHFFFAOYSA-N 2 0 288.359 -0.723 20 0 CBADRP CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114773884 812159335 /nfs/dbraw/zinc/15/93/35/812159335.db2.gz DJHWYYNVFUIUQJ-YABSGUDNSA-N 2 0 282.388 -0.927 20 0 CBADRP Cc1cnc(C[NH3+])n1-c1ccc(N2CC[NH2+]CC2)nn1 ZINC001158163576 815508336 /nfs/dbraw/zinc/50/83/36/815508336.db2.gz XSSKAUYBFDYMQP-UHFFFAOYSA-N 2 0 273.344 -0.161 20 0 CBADRP O=C([C@H]1[NH2+]CC[C@H]1O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158169364 815508389 /nfs/dbraw/zinc/50/83/89/815508389.db2.gz PPYFVBVZUCKIJM-MNOVXSKESA-N 2 0 253.346 -0.546 20 0 CBADRP O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158159827 815507295 /nfs/dbraw/zinc/50/72/95/815507295.db2.gz FWTJSMIDDWCRDY-TZMCWYRMSA-N 2 0 294.399 -0.939 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)N2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001158160202 815507586 /nfs/dbraw/zinc/50/75/86/815507586.db2.gz JFXZYNDNYUHAPA-NTZNESFSSA-N 2 0 252.362 -0.580 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COC)C[C@H]21 ZINC001114998222 812171786 /nfs/dbraw/zinc/17/17/86/812171786.db2.gz PZYQWIHGTPSVEX-CXTNEJHOSA-N 2 0 299.415 -0.618 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC2(COC2)C1 ZINC001158168017 815507861 /nfs/dbraw/zinc/50/78/61/815507861.db2.gz KFIHRQIFIYVPGK-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](C)O)C[C@H]21 ZINC001115081504 812177585 /nfs/dbraw/zinc/17/75/85/812177585.db2.gz SGROPOUROIAIOH-NMKXLXIOSA-N 2 0 269.389 -0.245 20 0 CBADRP O=C(NCCC[NH2+][C@H]1CCNC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158197361 815512030 /nfs/dbraw/zinc/51/20/30/815512030.db2.gz XIWCKDWTQOYBTJ-STQMWFEESA-N 2 0 294.399 -0.687 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158196392 815512043 /nfs/dbraw/zinc/51/20/43/815512043.db2.gz LPIHALKYZHNOFU-GFCCVEGCSA-N 2 0 282.388 -0.830 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115159106 812183583 /nfs/dbraw/zinc/18/35/83/812183583.db2.gz DAESSBACSHYCDO-CZXHOFHRSA-N 2 0 294.399 -0.737 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199178 815512659 /nfs/dbraw/zinc/51/26/59/815512659.db2.gz OPKYGMCOBDAVFO-DMDPSCGWSA-N 2 0 253.346 -0.546 20 0 CBADRP O=C([C@H]1C[NH2+]CC12CCOCC2)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158198500 815512780 /nfs/dbraw/zinc/51/27/80/815512780.db2.gz FXGIZARLHKVAAH-FRRDWIJNSA-N 2 0 279.384 -0.035 20 0 CBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115304496 812190766 /nfs/dbraw/zinc/19/07/66/812190766.db2.gz RUZZRBFOLKLZDP-RMRHIDDWSA-N 2 0 299.415 -0.620 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168635 815508544 /nfs/dbraw/zinc/50/85/44/815508544.db2.gz VTVYXQSSMHBYJP-FRRDWIJNSA-N 3 0 284.404 -0.850 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168095 815508559 /nfs/dbraw/zinc/50/85/59/815508559.db2.gz BKQMVFMKGPGXIJ-NSHDSACASA-N 3 0 286.445 -0.250 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170459 815509401 /nfs/dbraw/zinc/50/94/01/815509401.db2.gz ZZCCQXSKBYUTMI-NSHDSACASA-N 2 0 269.345 -0.379 20 0 CBADRP [NH3+][C@@H](CC1CCC1)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158180090 815510415 /nfs/dbraw/zinc/51/04/15/815510415.db2.gz TUGPSBSGDCFUQJ-FRRDWIJNSA-N 2 0 267.373 -0.049 20 0 CBADRP CC1(C)[C@H]2[C@@H]1C[NH2+][C@@H]2C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158180122 815510705 /nfs/dbraw/zinc/51/07/05/815510705.db2.gz VCQSHMUECWFSAL-FHUSYTEZSA-N 2 0 279.384 -0.323 20 0 CBADRP C[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158197542 815511656 /nfs/dbraw/zinc/51/16/56/815511656.db2.gz ZNXVKDMEWFUKEU-YPMHNXCESA-N 2 0 269.389 -0.195 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC2(C1)CCCO2 ZINC001158236057 815514849 /nfs/dbraw/zinc/51/48/49/815514849.db2.gz WOVKAZZUADVWOG-JTQLQIEISA-N 2 0 251.330 -0.813 20 0 CBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158214761 815515304 /nfs/dbraw/zinc/51/53/04/815515304.db2.gz CIJCCMKANJHCKT-NNYUYHANSA-N 2 0 267.329 -0.900 20 0 CBADRP [NH3+][C@H]1CC[C@@H]1C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158276661 815518380 /nfs/dbraw/zinc/51/83/80/815518380.db2.gz CJAOAGRDIUYJMI-QWRGUYRKSA-N 2 0 290.371 -0.564 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158327865 815520591 /nfs/dbraw/zinc/52/05/91/815520591.db2.gz PMNPTUSCLAYIRE-KWCYVHTRSA-N 2 0 275.352 -0.206 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306385 815519296 /nfs/dbraw/zinc/51/92/96/815519296.db2.gz RRPVMDMZXFXFNM-SDDRHHMPSA-N 3 0 254.378 -0.476 20 0 CBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306382 815519545 /nfs/dbraw/zinc/51/95/45/815519545.db2.gz RNCZHQSAMCFWGZ-RWMBFGLXSA-N 3 0 278.400 -0.319 20 0 CBADRP O=C([C@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306625 815519642 /nfs/dbraw/zinc/51/96/42/815519642.db2.gz VFYAPSHBYIDFSU-BYNSBNAKSA-N 2 0 292.427 -0.119 20 0 CBADRP [NH3+][C@H](C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1)C1CC[NH2+]CC1 ZINC001158306783 815519701 /nfs/dbraw/zinc/51/97/01/815519701.db2.gz WYXOGHPRJGGBBY-TUAOUCFPSA-N 3 0 252.362 -0.866 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158414264 815527269 /nfs/dbraw/zinc/52/72/69/815527269.db2.gz FFIQJUOCQSIZSK-QJPTWQEYSA-N 2 0 263.345 -0.747 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC[NH2+]1 ZINC001117972430 812460133 /nfs/dbraw/zinc/46/01/33/812460133.db2.gz TXJNSDFGSUZXPJ-XQQFMLRXSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC[NH2+]1 ZINC001117972420 812460435 /nfs/dbraw/zinc/46/04/35/812460435.db2.gz TXJNSDFGSUZXPJ-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC001118037190 812464361 /nfs/dbraw/zinc/46/43/61/812464361.db2.gz ATLIBSSKVNOIJR-LOWVWBTDSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@H](C[NH3+])NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001118086676 812467953 /nfs/dbraw/zinc/46/79/53/812467953.db2.gz XRADPSAHGDWKNP-DVVUODLYSA-N 2 0 266.349 -0.797 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCN2CCCC2=O)CC1 ZINC001118086542 812468745 /nfs/dbraw/zinc/46/87/45/812468745.db2.gz WPQXIAQRXYJIIB-CQSZACIVSA-N 2 0 298.431 -0.803 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158424334 815528021 /nfs/dbraw/zinc/52/80/21/815528021.db2.gz ROZAIHLTNPAZIW-RYUDHWBXSA-N 2 0 252.362 -0.709 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCC(C)(C)O)CC1 ZINC001118091069 812469837 /nfs/dbraw/zinc/46/98/37/812469837.db2.gz RNSTVISXLSZVHR-LBPRGKRZSA-N 2 0 259.394 -0.655 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158423041 815528084 /nfs/dbraw/zinc/52/80/84/815528084.db2.gz MENTZHNBDXDTBS-VHSXEESVSA-N 2 0 253.350 -0.397 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158422340 815528118 /nfs/dbraw/zinc/52/81/18/815528118.db2.gz KGNDHURDEJXGAD-RVMXOQNASA-N 2 0 296.415 -0.173 20 0 CBADRP [NH3+][C@H]1CCCCN(CC(=O)N2CCC[C@@H]3[NH2+]C[C@H]32)C1=O ZINC001158424904 815528310 /nfs/dbraw/zinc/52/83/10/815528310.db2.gz URTJFFFRFXZFBQ-SDDRHHMPSA-N 2 0 280.372 -0.711 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC001118140050 812477764 /nfs/dbraw/zinc/47/77/64/812477764.db2.gz GWHGKLHXYOZFLT-WDEREUQCSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[C@@H](O)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001118179157 812486006 /nfs/dbraw/zinc/48/60/06/812486006.db2.gz LYDQRIGSUGQPSN-CHWSQXEVSA-N 2 0 259.394 -0.655 20 0 CBADRP CC[C@@H](O)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001118179158 812486129 /nfs/dbraw/zinc/48/61/29/812486129.db2.gz LYDQRIGSUGQPSN-OLZOCXBDSA-N 2 0 259.394 -0.655 20 0 CBADRP O=C1NC(=O)C2(CC[NH+](CC3CC[NH2+]CC3)CC2)N1 ZINC001118179415 812486295 /nfs/dbraw/zinc/48/62/95/812486295.db2.gz SVPSZZARCSBACB-UHFFFAOYSA-N 2 0 266.345 -0.340 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC001118189017 812488763 /nfs/dbraw/zinc/48/87/63/812488763.db2.gz GPBQAVLFFJILFD-CQSZACIVSA-N 2 0 298.431 -0.491 20 0 CBADRP CC(C)(C[NH3+])NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001118196364 812491529 /nfs/dbraw/zinc/49/15/29/812491529.db2.gz CRWLRJJBBGYIPD-UHFFFAOYSA-N 2 0 266.349 -0.330 20 0 CBADRP CN(CC[NH3+])C(=O)CN(CC[NH3+])Cc1ccccc1 ZINC001118199610 812493219 /nfs/dbraw/zinc/49/32/19/812493219.db2.gz NZBQXPZZENOEMD-UHFFFAOYSA-N 2 0 264.373 -0.136 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC001118206246 812497017 /nfs/dbraw/zinc/49/70/17/812497017.db2.gz YSUGNNDKIIPFIC-QWRGUYRKSA-N 2 0 268.361 -0.948 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158566634 815538226 /nfs/dbraw/zinc/53/82/26/815538226.db2.gz BXLYHIGRSQDUCO-AEJSXWLSSA-N 2 0 259.325 -0.769 20 0 CBADRP C[C@H](C[NH3+])NC(=O)CN(CC[NH3+])Cc1ccccc1 ZINC001118266038 812512133 /nfs/dbraw/zinc/51/21/33/812512133.db2.gz KAZWFSTVUKPWHL-GFCCVEGCSA-N 2 0 264.373 -0.089 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC001118276666 812516951 /nfs/dbraw/zinc/51/69/51/812516951.db2.gz AVQATIXTIIQYGD-JHJVBQTASA-N 3 0 268.405 -0.005 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC001118338011 812534117 /nfs/dbraw/zinc/53/41/17/812534117.db2.gz VXWTZKGERNLUAZ-RYUDHWBXSA-N 2 0 256.394 -0.277 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C(C)(C)[NH2+]C ZINC001158497911 815535167 /nfs/dbraw/zinc/53/51/67/815535167.db2.gz JBODJIYCVZBXIX-GARJFASQSA-N 2 0 283.372 -0.264 20 0 CBADRP CCC[C@H]([NH3+])C(=O)N1[C@H](C(=O)OCC)C[C@H]2C[NH2+]C[C@H]21 ZINC001158496544 815535409 /nfs/dbraw/zinc/53/54/09/815535409.db2.gz RTRQFXQWKHZDNT-FIQHERPVSA-N 2 0 283.372 -0.134 20 0 CBADRP [NH3+]CCCCNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001118389642 812543546 /nfs/dbraw/zinc/54/35/46/812543546.db2.gz OEQMGXGFTYZZNJ-WDEREUQCSA-N 2 0 256.350 -0.814 20 0 CBADRP O=C(NC1CC[NH2+]CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001118390595 812544201 /nfs/dbraw/zinc/54/42/01/812544201.db2.gz VZVXJZNFBLFGMM-NWDGAFQWSA-N 2 0 268.361 -0.801 20 0 CBADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC001118486243 812555173 /nfs/dbraw/zinc/55/51/73/812555173.db2.gz JKBVCJYVWGSZCH-QWRGUYRKSA-N 2 0 280.372 -0.935 20 0 CBADRP O=C(NCCC[NH2+]CCF)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158507051 815536535 /nfs/dbraw/zinc/53/65/35/815536535.db2.gz OWJURANOKPJSIG-NEPJUHHUSA-N 2 0 273.352 -0.085 20 0 CBADRP O=C(NCCC[NH2+]CCCO)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158505341 815536687 /nfs/dbraw/zinc/53/66/87/815536687.db2.gz BEOIBDWLONIOHF-OLZOCXBDSA-N 2 0 285.388 -0.672 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001118506074 812562069 /nfs/dbraw/zinc/56/20/69/812562069.db2.gz KCBPRPWSDFRGAS-XBWDGYHZSA-N 2 0 261.329 -0.566 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC001118505934 812562646 /nfs/dbraw/zinc/56/26/46/812562646.db2.gz IYQXUNPWEIOKIL-RYUDHWBXSA-N 2 0 255.362 -0.192 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1C[C@H]1CCC[NH2+]C1 ZINC001118557511 812575865 /nfs/dbraw/zinc/57/58/65/812575865.db2.gz GGOVERCPTROLSP-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP O=C(NCC[NH2+]C1CC1)c1cnnn1C1CC[NH2+]CC1 ZINC001118569261 812579151 /nfs/dbraw/zinc/57/91/51/812579151.db2.gz UHHQBPVRHRWRJM-UHFFFAOYSA-N 2 0 278.360 -0.316 20 0 CBADRP [NH3+]C1([C@H]2CN(C(=O)CNC3CC[NH2+]CC3)C[C@H]2CF)CC1 ZINC001158567645 815538693 /nfs/dbraw/zinc/53/86/93/815538693.db2.gz JEXMPIOIGRDKQH-YPMHNXCESA-N 2 0 298.406 -0.137 20 0 CBADRP [NH3+]C1([C@H]2CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C[C@@H]2CF)CC1 ZINC001158579518 815539211 /nfs/dbraw/zinc/53/92/11/815539211.db2.gz UJXXLDTYINPWRN-HHHUOAJASA-N 2 0 267.348 -0.013 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)C1 ZINC001158576611 815539268 /nfs/dbraw/zinc/53/92/68/815539268.db2.gz CCPJKOXRIMNRTF-YTWAJWBKSA-N 2 0 270.352 -0.789 20 0 CBADRP NC1(C(=O)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)CC[NH2+]CC1 ZINC001158576187 815539640 /nfs/dbraw/zinc/53/96/40/815539640.db2.gz AFEFFBMWRZAICK-GHMZBOCLSA-N 2 0 284.379 -0.397 20 0 CBADRP [NH3+][C@H](C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1)C1CC[NH2+]CC1 ZINC001158579863 815539749 /nfs/dbraw/zinc/53/97/49/815539749.db2.gz YOXRFVYBMVMJSP-UPJWGTAASA-N 3 0 298.406 -0.151 20 0 CBADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158626632 815540278 /nfs/dbraw/zinc/54/02/78/815540278.db2.gz WFMUYJOIQAUXBT-KYEXWDHISA-N 3 0 280.416 -0.264 20 0 CBADRP C[C@@H]1CN(C)[C@@H](C)CN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001158626069 815540677 /nfs/dbraw/zinc/54/06/77/815540677.db2.gz DDRUVLUEFVHVQO-DMDPSCGWSA-N 2 0 268.405 -0.136 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001118859572 812643169 /nfs/dbraw/zinc/64/31/69/812643169.db2.gz KFGOQBHXWFTCHT-UHFFFAOYSA-N 2 0 296.375 -0.810 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001118903619 812657422 /nfs/dbraw/zinc/65/74/22/812657422.db2.gz UWHMTMREAXPUON-SDDRHHMPSA-N 2 0 284.404 -0.409 20 0 CBADRP CC1(C)C[C@H](O)C[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001118932920 812668936 /nfs/dbraw/zinc/66/89/36/812668936.db2.gz FKTMYDMYWQHSKN-NSHDSACASA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001118964047 812678412 /nfs/dbraw/zinc/67/84/12/812678412.db2.gz XOWDRZCGEJKZHO-VXGBXAGGSA-N 2 0 282.388 -0.511 20 0 CBADRP CN1CC[NH+](C2CCN(C[C@@H]3C[NH2+]CCO3)CC2)CC1 ZINC001118994067 812686837 /nfs/dbraw/zinc/68/68/37/812686837.db2.gz OGIBPQPQLKQIKK-HNNXBMFYSA-N 2 0 282.432 -0.313 20 0 CBADRP [NH3+][C@H]1CN(c2cncc(N3CC[NH2+]CC3)n2)CC12COC2 ZINC001158763837 815546140 /nfs/dbraw/zinc/54/61/40/815546140.db2.gz ZJSRAFSUEUXBMP-NSHDSACASA-N 2 0 290.371 -0.950 20 0 CBADRP [NH3+][C@H]1CN(c2cc(C3C[NH2+]C3)ncn2)CC12COC2 ZINC001158768444 815546299 /nfs/dbraw/zinc/54/62/99/815546299.db2.gz CKNSFXVPHRLSDY-NSHDSACASA-N 2 0 261.329 -0.673 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC001158804859 815548535 /nfs/dbraw/zinc/54/85/35/815548535.db2.gz WEBFBQIGSCAHKP-XQQFMLRXSA-N 2 0 284.404 -0.755 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCCN(CC(N)=O)C1 ZINC001119236778 812727990 /nfs/dbraw/zinc/72/79/90/812727990.db2.gz CQDVQQYAJSWFFB-AINJUTQGSA-N 2 0 294.399 -0.536 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001119242251 812730127 /nfs/dbraw/zinc/73/01/27/812730127.db2.gz XQTKKTHWYXXSOD-UWVGGRQHSA-N 2 0 266.349 -0.378 20 0 CBADRP CN(CC(N)=O)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158852481 815549463 /nfs/dbraw/zinc/54/94/63/815549463.db2.gz GPBBACGFCRWGCQ-CYBMUJFWSA-N 2 0 296.415 -0.120 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001119295138 812744357 /nfs/dbraw/zinc/74/43/57/812744357.db2.gz ROAGAKNTSOUIDJ-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)c1c(C[NH3+])cnn1C ZINC001119296422 812745393 /nfs/dbraw/zinc/74/53/93/812745393.db2.gz ZFQRBJPAPHLLDF-UHFFFAOYSA-N 2 0 253.350 -0.064 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2OCC[C@@H]2[NH3+])n1 ZINC001119296461 812745524 /nfs/dbraw/zinc/74/55/24/812745524.db2.gz RWJYPHBVLMJPHT-GXSJLCMTSA-N 2 0 267.333 -0.501 20 0 CBADRP C[NH+](C)CCCCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001119295895 812745765 /nfs/dbraw/zinc/74/57/65/812745765.db2.gz HTYNPMPSBATFNK-LJQANCHMSA-N 2 0 289.445 -0.055 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001119297445 812747268 /nfs/dbraw/zinc/74/72/68/812747268.db2.gz NIYYIUVEHJDCBM-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)nn1 ZINC001119300586 812748452 /nfs/dbraw/zinc/74/84/52/812748452.db2.gz ACGHLVBSORPNTA-MWLCHTKSSA-N 2 0 264.333 -0.797 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[NH+]1CCCCC1 ZINC001119342918 812761347 /nfs/dbraw/zinc/76/13/47/812761347.db2.gz ZDGACJNBXHTHQL-RWMBFGLXSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC001119350682 812762842 /nfs/dbraw/zinc/76/28/42/812762842.db2.gz HALGNSXVGOZDIA-JTQLQIEISA-N 2 0 289.339 -0.196 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001119355507 812763627 /nfs/dbraw/zinc/76/36/27/812763627.db2.gz UHFNWOCVSLFKFP-VIFPVBQESA-N 2 0 255.322 -0.643 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N(CCC[NH3+])CC(F)(F)F ZINC001119359305 812765330 /nfs/dbraw/zinc/76/53/30/812765330.db2.gz RGJQNBJTNVLTCH-ZETCQYMHSA-N 2 0 257.256 -0.300 20 0 CBADRP C[N@@H+]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1(C)C ZINC001119366851 812768419 /nfs/dbraw/zinc/76/84/19/812768419.db2.gz KYKUVZDJTOOSNJ-VIFPVBQESA-N 2 0 254.334 -0.357 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC001119407881 812777168 /nfs/dbraw/zinc/77/71/68/812777168.db2.gz RBOYZSBGEKOKEK-MROQNXINSA-N 2 0 296.415 -0.029 20 0 CBADRP CN(CC[NH3+])C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC001119421952 812780586 /nfs/dbraw/zinc/78/05/86/812780586.db2.gz NZDBAHGMODCFCH-UHFFFAOYSA-N 2 0 269.374 -0.030 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119427643 812783143 /nfs/dbraw/zinc/78/31/43/812783143.db2.gz SIXDERXRTGXFGT-IJLUTSLNSA-N 2 0 282.388 -0.608 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001159154760 815560550 /nfs/dbraw/zinc/56/05/50/815560550.db2.gz BWHIODPIMJZZCA-GHMZBOCLSA-N 2 0 290.383 -0.364 20 0 CBADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)C[C@@H](O)C[NH3+])C1 ZINC001159133541 815561034 /nfs/dbraw/zinc/56/10/34/815561034.db2.gz JJJAKSLPUTWJND-VXGBXAGGSA-N 2 0 295.387 -0.887 20 0 CBADRP c1cc(NC[C@H]2COCC[NH2+]2)ncc1N1CC[NH2+]CC1 ZINC001159043728 815556789 /nfs/dbraw/zinc/55/67/89/815556789.db2.gz HYFCOSYPJPAXBW-LBPRGKRZSA-N 2 0 277.372 -0.109 20 0 CBADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)C1 ZINC001120269607 812944846 /nfs/dbraw/zinc/94/48/46/812944846.db2.gz VQWNDKQYKSMUJS-SBMIAAHKSA-N 2 0 252.318 -0.602 20 0 CBADRP CC[NH2+]CC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001120465016 812971598 /nfs/dbraw/zinc/97/15/98/812971598.db2.gz KZEDKAURQPSILY-UHFFFAOYSA-N 2 0 255.362 -0.033 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159290129 815567180 /nfs/dbraw/zinc/56/71/80/815567180.db2.gz DHCRNTOJOPCUEL-STQMWFEESA-N 2 0 279.384 -0.347 20 0 CBADRP C[C@@H](NC(=O)N1CCNCC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001120537708 812985900 /nfs/dbraw/zinc/98/59/00/812985900.db2.gz HOMGNKDYICTORR-OLZOCXBDSA-N 2 0 283.420 -0.421 20 0 CBADRP O=C([C@H]1[NH2+]CC[C@H]1O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159290564 815567498 /nfs/dbraw/zinc/56/74/98/815567498.db2.gz GXIVXBZYAINGCO-OLZOCXBDSA-N 2 0 279.384 -0.347 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001120542178 812986625 /nfs/dbraw/zinc/98/66/25/812986625.db2.gz IISGQLWBBMIOHL-TUAOUCFPSA-N 2 0 252.362 -0.011 20 0 CBADRP C[NH2+]CCNC(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001120542730 812987669 /nfs/dbraw/zinc/98/76/69/812987669.db2.gz PLFDJHIEIKLMGT-LLVKDONJSA-N 2 0 270.377 -0.255 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)CCC[NH3+] ZINC001120545757 812987808 /nfs/dbraw/zinc/98/78/08/812987808.db2.gz LRBYGPAVCFNHQX-QWRGUYRKSA-N 2 0 258.366 -0.256 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001120554114 812989896 /nfs/dbraw/zinc/98/98/96/812989896.db2.gz FPJMBEHJXSNHBO-KXNHARMFSA-N 2 0 252.362 -0.012 20 0 CBADRP CN(C(=O)NCC1([NH3+])CC1)C1(C[NH3+])CCOCC1 ZINC001120573732 812993977 /nfs/dbraw/zinc/99/39/77/812993977.db2.gz MSJABYOHTWXQCG-UHFFFAOYSA-N 2 0 256.350 -0.373 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC[C@H]1F ZINC001120578556 812995691 /nfs/dbraw/zinc/99/56/91/812995691.db2.gz DQDBGYYPBMEMOP-MVCUBJFGSA-N 2 0 256.325 -0.040 20 0 CBADRP CCN1CC[C@@]2(CN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@@H]2C)C1=O ZINC001159316598 815568867 /nfs/dbraw/zinc/56/88/67/815568867.db2.gz JWXPKGUPVZDHBA-ZOWXZIJZSA-N 2 0 296.415 -0.231 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001120637923 813005246 /nfs/dbraw/zinc/00/52/46/813005246.db2.gz BSKJVWBBBGDBNW-SNVBAGLBSA-N 2 0 258.366 -0.399 20 0 CBADRP [NH3+]CCNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001120626766 813002344 /nfs/dbraw/zinc/00/23/44/813002344.db2.gz STXTXQSNVNVKLO-NXEZZACHSA-N 2 0 258.391 -0.176 20 0 CBADRP CCO[C@H](CNC(=O)N[C@H](C)CC[NH3+])C[NH+](C)C ZINC001120630506 813002433 /nfs/dbraw/zinc/00/24/33/813002433.db2.gz BYZFORWMGFGODE-GHMZBOCLSA-N 2 0 260.382 -0.010 20 0 CBADRP [NH3+]CCNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001120626768 813002628 /nfs/dbraw/zinc/00/26/28/813002628.db2.gz STXTXQSNVNVKLO-VHSXEESVSA-N 2 0 258.391 -0.176 20 0 CBADRP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001120633135 813002818 /nfs/dbraw/zinc/00/28/18/813002818.db2.gz HHGUJKKIHDXQKO-NTZNESFSSA-N 2 0 268.361 -0.502 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC001120634989 813003381 /nfs/dbraw/zinc/00/33/81/813003381.db2.gz XWXGSSPHROAXAV-IWSPIJDZSA-N 2 0 262.304 -0.109 20 0 CBADRP COCC[NH2+]CCNC(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC001120631347 813003449 /nfs/dbraw/zinc/00/34/49/813003449.db2.gz IZFTUBKRBWLMMY-JTQLQIEISA-N 2 0 258.366 -0.399 20 0 CBADRP CCO[C@H](CNC(=O)N(C)[C@H](C)C[NH3+])C[NH+](C)C ZINC001120651089 813006924 /nfs/dbraw/zinc/00/69/24/813006924.db2.gz OKMBWZDFUGMZQK-GHMZBOCLSA-N 2 0 260.382 -0.058 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCO1 ZINC001120668029 813009014 /nfs/dbraw/zinc/00/90/14/813009014.db2.gz DYRGJEWCXLNPOG-LNFKQOIKSA-N 2 0 254.334 -0.752 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001159334330 815569930 /nfs/dbraw/zinc/56/99/30/815569930.db2.gz CJIDGRTVRMFSAV-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001159335021 815569969 /nfs/dbraw/zinc/56/99/69/815569969.db2.gz OYUCFILTLYOYBC-LLVKDONJSA-N 2 0 270.377 -0.558 20 0 CBADRP CN(CC[NH3+])CCNc1ccc(OC2CC[NH2+]CC2)nn1 ZINC001159438315 815573121 /nfs/dbraw/zinc/57/31/21/815573121.db2.gz USUCPGKJDMQMLG-UHFFFAOYSA-N 2 0 294.403 -0.090 20 0 CBADRP [NH3+]CCOCCOCCNc1cc(C[NH3+])ncn1 ZINC001159444324 815574001 /nfs/dbraw/zinc/57/40/01/815574001.db2.gz GQWMCFGPMDACRV-UHFFFAOYSA-N 2 0 255.322 -0.661 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001121809727 813076577 /nfs/dbraw/zinc/07/65/77/813076577.db2.gz LRUMWXBGDKFNBD-GFCCVEGCSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[C@H](C[NH3+])C1 ZINC001121811357 813077520 /nfs/dbraw/zinc/07/75/20/813077520.db2.gz ZTKMAFYWGJLFHE-UTUOFQBUSA-N 2 0 252.362 -0.818 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC001121898415 813085513 /nfs/dbraw/zinc/08/55/13/813085513.db2.gz YKUZFAHZJXMFKF-QCNOEVLYSA-N 2 0 257.378 -0.164 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC[NH2+]1 ZINC001121896532 813087050 /nfs/dbraw/zinc/08/70/50/813087050.db2.gz INEOSWXDIPMXHN-GRYCIOLGSA-N 2 0 252.362 -0.805 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001121928588 813090633 /nfs/dbraw/zinc/09/06/33/813090633.db2.gz RCNXKVRMYWIMAZ-KBPBESRZSA-N 2 0 297.447 -0.968 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1=NOC2(C1)CC[NH2+]CC2 ZINC001121940481 813093355 /nfs/dbraw/zinc/09/33/55/813093355.db2.gz ZVWGHTGEZLXUJG-JZYVYDRUSA-N 2 0 264.329 -0.781 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001121938784 813093417 /nfs/dbraw/zinc/09/34/17/813093417.db2.gz DORPGRXADJMYAP-LBPRGKRZSA-N 2 0 266.389 -0.508 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC001121939648 813094009 /nfs/dbraw/zinc/09/40/09/813094009.db2.gz LJMOBPMAVUMJTH-OUAUKWLOSA-N 2 0 255.362 -0.539 20 0 CBADRP CN(C(=O)[C@@H]1CCCN(CC[NH3+])C1=O)C1CC([NH3+])C1 ZINC001121945738 813094413 /nfs/dbraw/zinc/09/44/13/813094413.db2.gz ZBPXKDCGDHHMRO-ILDUYXDCSA-N 2 0 268.361 -0.868 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC001121943870 813094438 /nfs/dbraw/zinc/09/44/38/813094438.db2.gz NGCNROUPAVLVQO-SRVKXCTJSA-N 2 0 257.378 -0.149 20 0 CBADRP C[C@]1(C(=O)N[C@@H](CC[NH3+])C(F)F)C[C@@H](O)C[NH2+]1 ZINC001121943185 813095289 /nfs/dbraw/zinc/09/52/89/813095289.db2.gz HLNQNWIUMDUJTH-MATHAZKKSA-N 2 0 251.277 -0.802 20 0 CBADRP C[NH+](C)CCOCCNC(=O)C1CC2(C1)C[C@@H]([NH3+])CCO2 ZINC001121960460 813097506 /nfs/dbraw/zinc/09/75/06/813097506.db2.gz UAXVPDUSYGFRLO-OWYJLGKBSA-N 2 0 299.415 -0.033 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC001121997045 813102143 /nfs/dbraw/zinc/10/21/43/813102143.db2.gz RZSFLEROJSRJQL-KXNHARMFSA-N 2 0 255.362 -0.336 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CNCC[NH3+])[C@@H](C)C1 ZINC001122002537 813102862 /nfs/dbraw/zinc/10/28/62/813102862.db2.gz GNAWOFHLFROBEP-RYUDHWBXSA-N 2 0 256.394 -0.277 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC001122011165 813103783 /nfs/dbraw/zinc/10/37/83/813103783.db2.gz JNCYVPFWKIMSTR-XWLWVQCSSA-N 2 0 255.362 -0.330 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001122010101 813104189 /nfs/dbraw/zinc/10/41/89/813104189.db2.gz JWLSUOMKVKUZDY-LBPRGKRZSA-N 2 0 254.378 -0.475 20 0 CBADRP [NH3+][C@H]1CC[C@@H](C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CC1 ZINC001122063589 813109986 /nfs/dbraw/zinc/10/99/86/813109986.db2.gz MUOGAQWZWAXZSC-OUAUKWLOSA-N 2 0 253.346 -0.249 20 0 CBADRP C[C@H](CC(=O)NCC1(O)C[NH2+]C1)C1CC[NH2+]CC1 ZINC001122055104 813110162 /nfs/dbraw/zinc/11/01/62/813110162.db2.gz FKPAAHUQOLUSNI-SNVBAGLBSA-N 2 0 255.362 -0.537 20 0 CBADRP O=C(CC[C@@H]1CC[NH2+]C1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001122063496 813110745 /nfs/dbraw/zinc/11/07/45/813110745.db2.gz LCNNDUVKCAWJFK-MNOVXSKESA-N 2 0 253.346 -0.377 20 0 CBADRP [NH3+][C@H](CO)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001122055183 813110762 /nfs/dbraw/zinc/11/07/62/813110762.db2.gz HFNHNHVVAZUGFI-VXGBXAGGSA-N 2 0 255.362 -0.456 20 0 CBADRP [NH3+][C@H](CO)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC001122067967 813112060 /nfs/dbraw/zinc/11/20/60/813112060.db2.gz NHNWFKUADBWZRW-QJPTWQEYSA-N 2 0 267.304 -0.602 20 0 CBADRP O=C(NCC[C@H]1CSCC[NH2+]1)[C@H]1C[NH2+]CCO1 ZINC001122082697 813114152 /nfs/dbraw/zinc/11/41/52/813114152.db2.gz KVROJLFUQAIHIQ-VHSXEESVSA-N 2 0 259.375 -0.814 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001122082740 813114626 /nfs/dbraw/zinc/11/46/26/813114626.db2.gz TWRHXTGFEBVCNO-SECBINFHSA-N 2 0 259.375 -0.732 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 ZINC001122077605 813114684 /nfs/dbraw/zinc/11/46/84/813114684.db2.gz QHGHQSCLNALQPA-KSSYENDESA-N 2 0 267.373 -0.396 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001122094810 813116015 /nfs/dbraw/zinc/11/60/15/813116015.db2.gz PUDAVTGRNPCQPN-ZYHUDNBSSA-N 2 0 255.362 -0.300 20 0 CBADRP C[NH2+]CCOCCNC(=O)C1([C@@H](C)[NH3+])CCOCC1 ZINC001122088807 813116066 /nfs/dbraw/zinc/11/60/66/813116066.db2.gz MLZDYBHCYGQZQI-LLVKDONJSA-N 2 0 273.377 -0.517 20 0 CBADRP [NH3+]C1(CC(=O)N2NC(=O)C[C@]23CC[NH2+]C3)CCC1 ZINC001122110153 813119350 /nfs/dbraw/zinc/11/93/50/813119350.db2.gz OORLZVKEXWJPHA-LBPRGKRZSA-N 2 0 252.318 -0.747 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC001122136581 813122525 /nfs/dbraw/zinc/12/25/25/813122525.db2.gz NKIQLTGZAONBIL-CHWSQXEVSA-N 2 0 269.389 -0.066 20 0 CBADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001122141438 813122749 /nfs/dbraw/zinc/12/27/49/813122749.db2.gz BWEVSFQIFVTFEM-OUAUKWLOSA-N 2 0 253.346 -0.249 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001122141213 813122788 /nfs/dbraw/zinc/12/27/88/813122788.db2.gz VOFWBJVGONODNH-UZWSLXQKSA-N 2 0 253.346 -0.663 20 0 CBADRP O=C(CC[C@@H]1CCC[NH2+]1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001122142490 813123624 /nfs/dbraw/zinc/12/36/24/813123624.db2.gz RWCLNERHGJKSEV-WDEREUQCSA-N 2 0 253.346 -0.234 20 0 CBADRP O=C(N1CCOC2(C[NH2+]C2)C1)C12CC[NH+](CC1)C2 ZINC001122159395 813125948 /nfs/dbraw/zinc/12/59/48/813125948.db2.gz CZUZMHAIQCSISD-UHFFFAOYSA-N 2 0 251.330 -0.717 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001122159303 813125977 /nfs/dbraw/zinc/12/59/77/813125977.db2.gz NXGXDEIKSZFUMX-PRJMDXOYSA-N 2 0 269.267 -0.302 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001122159304 813125984 /nfs/dbraw/zinc/12/59/84/813125984.db2.gz NXGXDEIKSZFUMX-RNJXMRFFSA-N 2 0 269.267 -0.302 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])C(C)(C)O)CC[C@@H]21 ZINC001122191469 813130306 /nfs/dbraw/zinc/13/03/06/813130306.db2.gz MMXMFICVKKQGKO-OUAUKWLOSA-N 2 0 255.362 -0.363 20 0 CBADRP CC(C)C[NH2+]CC(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001122189886 813130654 /nfs/dbraw/zinc/13/06/54/813130654.db2.gz LBSZJXYCUMDMQI-GFCCVEGCSA-N 2 0 254.334 -0.772 20 0 CBADRP O=C([C@@H]1CCC[NH2+]CC1)N1CCNCC[NH2+]CC1 ZINC001122201108 813131212 /nfs/dbraw/zinc/13/12/12/813131212.db2.gz UBWIOKKYWAKSGI-GFCCVEGCSA-N 2 0 254.378 -0.603 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001122203835 813132567 /nfs/dbraw/zinc/13/25/67/813132567.db2.gz SWTTYGRQIHLPHQ-BNOWGMLFSA-N 2 0 267.373 -0.108 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC001122205577 813132670 /nfs/dbraw/zinc/13/26/70/813132670.db2.gz MJYOHHIYGOPNOJ-AAEUAGOBSA-N 2 0 255.362 -0.312 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC001122205646 813133132 /nfs/dbraw/zinc/13/31/32/813133132.db2.gz NXGPDNYKJUYVIS-YRGRVCCFSA-N 2 0 267.373 -0.171 20 0 CBADRP [NH3+]CCOCC(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001122201743 813133221 /nfs/dbraw/zinc/13/32/21/813133221.db2.gz CUCWJPMJZHUTAZ-LLVKDONJSA-N 2 0 271.361 -0.682 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CC[NH2+]CCC12CCC2 ZINC001122208046 813134339 /nfs/dbraw/zinc/13/43/39/813134339.db2.gz NQALGVPEQFTMCH-VXGBXAGGSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)CN1CC[NH2+]CC1 ZINC001122229399 813136048 /nfs/dbraw/zinc/13/60/48/813136048.db2.gz VHJZZVXNEDXZNK-VXGBXAGGSA-N 2 0 254.378 -0.747 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001122230636 813136056 /nfs/dbraw/zinc/13/60/56/813136056.db2.gz HWNVACKXYYECRT-JHJVBQTASA-N 2 0 296.415 -0.455 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC001122239012 813136909 /nfs/dbraw/zinc/13/69/09/813136909.db2.gz MBILVEYUWBFJEH-JLLWLGSASA-N 2 0 252.362 -0.724 20 0 CBADRP C[NH2+]CCN(C(=O)[C@H]1CCCN(CC[NH3+])C1=O)C(C)C ZINC001122258135 813138231 /nfs/dbraw/zinc/13/82/31/813138231.db2.gz LWYDIBRDLDRGTN-LBPRGKRZSA-N 2 0 284.404 -0.360 20 0 CBADRP CCO[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)C[NH+](C)C ZINC001122270256 813139813 /nfs/dbraw/zinc/13/98/13/813139813.db2.gz KQBHMZJVARFQEG-GHMZBOCLSA-N 2 0 259.350 -0.942 20 0 CBADRP O=C(N1CCNCC[NH2+]CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001122287822 813140581 /nfs/dbraw/zinc/14/05/81/813140581.db2.gz BTMIIEVQANUZMB-AWEZNQCLSA-N 2 0 266.389 -0.506 20 0 CBADRP [NH3+]Cc1ccc(C(=O)N2CCNCC[NH2+]CC2)cc1 ZINC001122292842 813141840 /nfs/dbraw/zinc/14/18/40/813141840.db2.gz VOHGZHMVLOTZNB-UHFFFAOYSA-N 2 0 262.357 -0.220 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CC[C@H]1C[NH3+] ZINC001122295169 813142203 /nfs/dbraw/zinc/14/22/03/813142203.db2.gz FELSNFNQTBJSIR-WOPDTQHZSA-N 2 0 255.362 -0.192 20 0 CBADRP [NH3+]C[C@]1(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCCOC1 ZINC001122301580 813142692 /nfs/dbraw/zinc/14/26/92/813142692.db2.gz HDMRIFJYKBLPFJ-OUCADQQQSA-N 2 0 267.373 -0.190 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1=O ZINC001122301740 813143313 /nfs/dbraw/zinc/14/33/13/813143313.db2.gz BFRVWOZDDDLTSU-NNYUYHANSA-N 2 0 280.372 -0.807 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)NC[C@H]2CCCCC[NH2+]2)C1=O ZINC001122392711 813158139 /nfs/dbraw/zinc/15/81/39/813158139.db2.gz RVRSFEUMPGLNPX-CHWSQXEVSA-N 2 0 296.415 -0.168 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)NC[C@H]2CCCCC[NH2+]2)C1=O ZINC001122392713 813158559 /nfs/dbraw/zinc/15/85/59/813158559.db2.gz RVRSFEUMPGLNPX-OLZOCXBDSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@H](NC(=O)C1CC[NH2+]CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001122447125 813165352 /nfs/dbraw/zinc/16/53/52/813165352.db2.gz BILZNJRWOZPZIY-AAEUAGOBSA-N 2 0 268.405 -0.264 20 0 CBADRP C[C@@H](NC(=O)CC(C)(C)[NH3+])[C@@H]1C[N@H+](C)CCN1C ZINC001122449125 813166371 /nfs/dbraw/zinc/16/63/71/813166371.db2.gz SSMAVCBPGSEKHR-MNOVXSKESA-N 2 0 256.394 -0.136 20 0 CBADRP NS(=O)(=O)c1cccnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159780290 815594817 /nfs/dbraw/zinc/59/48/17/815594817.db2.gz WVKJCKHEIFPKTK-MRVPVSSYSA-N 2 0 259.335 -0.835 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001122474826 813167691 /nfs/dbraw/zinc/16/76/91/813167691.db2.gz MEYYQRBMTIKAAE-NHAGDIPZSA-N 2 0 299.415 -0.353 20 0 CBADRP CCN(C(=O)C[C@@H]1COCC[NH2+]1)C1CC[NH2+]CC1 ZINC001122496029 813170967 /nfs/dbraw/zinc/17/09/67/813170967.db2.gz MTIJFOAPTPZEML-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP CN1CC(=O)Nc2cnc(N[C@@H]([NH3+])CCC[NH3+])nc21 ZINC001159787574 815595840 /nfs/dbraw/zinc/59/58/40/815595840.db2.gz YJJATNRMPMQETK-MRVPVSSYSA-N 2 0 265.321 -0.700 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001122535922 813174570 /nfs/dbraw/zinc/17/45/70/813174570.db2.gz LSZNZNBAMPLOTM-IJLUTSLNSA-N 2 0 255.362 -0.219 20 0 CBADRP NS(=O)(=O)c1cnc(N[C@@H]([NH3+])CCC[NH3+])c(F)c1 ZINC001159789783 815595945 /nfs/dbraw/zinc/59/59/45/815595945.db2.gz XCGWOZZNEZVWLR-MRVPVSSYSA-N 2 0 277.325 -0.696 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)c1c(C[NH3+])cnn1C ZINC001122564280 813175643 /nfs/dbraw/zinc/17/56/43/813175643.db2.gz QFSCJHCXQAMQEH-UHFFFAOYSA-N 2 0 265.361 -0.050 20 0 CBADRP NS(=O)(=O)c1ccnc(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001159788416 815596556 /nfs/dbraw/zinc/59/65/56/815596556.db2.gz IDIFPHXBUJZNJA-QMMMGPOBSA-N 2 0 259.335 -0.835 20 0 CBADRP Cn1nncc1C[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159853638 815599613 /nfs/dbraw/zinc/59/96/13/815599613.db2.gz GHDCRCUPLYRIKM-UHFFFAOYSA-N 2 0 294.403 -0.105 20 0 CBADRP C[NH+](C)C1(C(=O)NCCC[NH2+]CC(=O)N2CCC2)CCC1 ZINC001159845381 815599980 /nfs/dbraw/zinc/59/99/80/815599980.db2.gz BBVXQIQNTCLKFJ-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP Cn1ncc(C[NH2+]CCCNC(=O)C2([NH+](C)C)CCC2)n1 ZINC001159854231 815600004 /nfs/dbraw/zinc/60/00/04/815600004.db2.gz NHEHMAADJWEEQB-UHFFFAOYSA-N 2 0 294.403 -0.105 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159853665 815600148 /nfs/dbraw/zinc/60/01/48/815600148.db2.gz HARWAVAZWLSKLS-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP CN(C)C(=O)[C@@H]1CC12CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2 ZINC001159863321 815601197 /nfs/dbraw/zinc/60/11/97/815601197.db2.gz RPNUIZVCOCXSRZ-NWDGAFQWSA-N 2 0 296.415 -0.231 20 0 CBADRP CCOC(=O)CN(CC[NH3+])c1cc2c(nn1)CC[NH2+]C2 ZINC001159864913 815603228 /nfs/dbraw/zinc/60/32/28/815603228.db2.gz PTEATIHXHFPYQX-UHFFFAOYSA-N 2 0 279.344 -0.550 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C)[NH+](C)C ZINC001123494469 813243574 /nfs/dbraw/zinc/24/35/74/813243574.db2.gz MAYYMZAMIKOEOW-GRYCIOLGSA-N 2 0 254.378 -0.559 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001123859593 813281995 /nfs/dbraw/zinc/28/19/95/813281995.db2.gz HBWGYTICKJWCLP-AWEZNQCLSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001123878684 813285551 /nfs/dbraw/zinc/28/55/51/813285551.db2.gz ZQEFHJFRTOLGRT-SDDRHHMPSA-N 2 0 254.378 -0.559 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC(C[NH+](C)C)C1 ZINC001123893189 813288495 /nfs/dbraw/zinc/28/84/95/813288495.db2.gz JUSDLPGXWGRLJP-WCQYABFASA-N 2 0 266.389 -0.605 20 0 CBADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001124866739 813489294 /nfs/dbraw/zinc/48/92/94/813489294.db2.gz JZTBXEDCVKHKBP-YPMHNXCESA-N 2 0 296.415 -0.299 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001124867066 813489898 /nfs/dbraw/zinc/48/98/98/813489898.db2.gz RFPFOXHLXKEFAL-JTQLQIEISA-N 2 0 295.343 -0.587 20 0 CBADRP CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124866941 813490149 /nfs/dbraw/zinc/49/01/49/813490149.db2.gz NZZMIHBSHQCGCL-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP CCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124872599 813491125 /nfs/dbraw/zinc/49/11/25/813491125.db2.gz LODRMVSCONCQKZ-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124867487 813491685 /nfs/dbraw/zinc/49/16/85/813491685.db2.gz WIQSMNXSHJVVBA-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001124867682 813492004 /nfs/dbraw/zinc/49/20/04/813492004.db2.gz XWEZQOXXTGTCHA-STQMWFEESA-N 2 0 295.387 -0.956 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124867485 813492747 /nfs/dbraw/zinc/49/27/47/813492747.db2.gz WIQSMNXSHJVVBA-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124873305 813494361 /nfs/dbraw/zinc/49/43/61/813494361.db2.gz WEVQTAPVOGMHKL-LBPRGKRZSA-N 2 0 284.404 -0.347 20 0 CBADRP Cn1nccc1CC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124877968 813494537 /nfs/dbraw/zinc/49/45/37/813494537.db2.gz JLIJKWVZBCUFDI-CYBMUJFWSA-N 2 0 279.388 -0.237 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001124877664 813494586 /nfs/dbraw/zinc/49/45/86/813494586.db2.gz HVUADOZFVNPCDJ-GFCCVEGCSA-N 2 0 282.388 -0.687 20 0 CBADRP CN1CCC[C@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001124878048 813494666 /nfs/dbraw/zinc/49/46/66/813494666.db2.gz KRZZTWXZWZVBID-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001124877665 813494769 /nfs/dbraw/zinc/49/47/69/813494769.db2.gz HVUADOZFVNPCDJ-LBPRGKRZSA-N 2 0 282.388 -0.687 20 0 CBADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](C)O ZINC001127065599 813709369 /nfs/dbraw/zinc/70/93/69/813709369.db2.gz BUUYLMSQEGQTET-VXGBXAGGSA-N 2 0 257.378 -0.054 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001127066391 813709587 /nfs/dbraw/zinc/70/95/87/813709587.db2.gz NFIHIIDQENQKBX-GFCCVEGCSA-N 2 0 284.404 -0.347 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127065684 813710462 /nfs/dbraw/zinc/71/04/62/813710462.db2.gz CWTIHIRIXRCMTE-STQMWFEESA-N 2 0 287.404 -0.428 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127077670 813711380 /nfs/dbraw/zinc/71/13/80/813711380.db2.gz GVQTUYGUYHQQJP-NWDGAFQWSA-N 2 0 284.404 -0.301 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001127082241 813712318 /nfs/dbraw/zinc/71/23/18/813712318.db2.gz NAWCDPNLPMCCID-ZDUSSCGKSA-N 2 0 294.403 -0.143 20 0 CBADRP O=C(NCC[NH2+]CCCO)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127255358 813721193 /nfs/dbraw/zinc/72/11/93/813721193.db2.gz IWSWIMDFRVPNGC-QWHCGFSZSA-N 2 0 269.389 -0.051 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127357482 813725776 /nfs/dbraw/zinc/72/57/76/813725776.db2.gz ZDVQMRVUFABRPT-GFCCVEGCSA-N 2 0 296.415 -0.168 20 0 CBADRP O=C(NCC[NH2+]CCn1cccn1)[C@@H]1C[NH+]2CCC1CC2 ZINC001127470861 813731477 /nfs/dbraw/zinc/73/14/77/813731477.db2.gz NKCXJGLFSBSTMS-CQSZACIVSA-N 2 0 291.399 -0.069 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475573 813731682 /nfs/dbraw/zinc/73/16/82/813731682.db2.gz VXZYRZIUPCEEDE-ZDUSSCGKSA-N 2 0 296.415 -0.440 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1=O ZINC001127480471 813732927 /nfs/dbraw/zinc/73/29/27/813732927.db2.gz KKVVVFAQVXTESW-QWHCGFSZSA-N 2 0 294.399 -0.735 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475614 813733052 /nfs/dbraw/zinc/73/30/52/813733052.db2.gz WZTPNIBBVRRHOI-CYBMUJFWSA-N 2 0 292.387 -0.637 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127480822 813734151 /nfs/dbraw/zinc/73/41/51/813734151.db2.gz MUYJTZMVQWYKMR-PWSUYJOCSA-N 2 0 255.362 -0.585 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127639174 813739219 /nfs/dbraw/zinc/73/92/19/813739219.db2.gz VKQNOEICEYEDBI-CHWSQXEVSA-N 2 0 287.404 -0.305 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCn2cncn2)CC[N@@H+]1C ZINC001127643641 813740138 /nfs/dbraw/zinc/74/01/38/813740138.db2.gz FAOBDHUFWFIUQP-VXGBXAGGSA-N 2 0 280.376 -0.676 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCNC(=O)C2CC2)CC[N@@H+]1C ZINC001127644137 813740152 /nfs/dbraw/zinc/74/01/52/813740152.db2.gz WFTPKCCLBKCMTA-DGCLKSJQSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C)CC[N@@H+]1C ZINC001127638457 813740301 /nfs/dbraw/zinc/74/03/01/813740301.db2.gz JVHGARFRBIFVBJ-GHMZBOCLSA-N 2 0 270.377 -0.879 20 0 CBADRP O=C(NCC[NH2+]CC1CC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127778838 813747062 /nfs/dbraw/zinc/74/70/62/813747062.db2.gz GTCFMTFIMOLDTN-STQMWFEESA-N 2 0 267.373 -0.035 20 0 CBADRP CC(C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127760108 813747552 /nfs/dbraw/zinc/74/75/52/813747552.db2.gz DJFPPVMCYDIFHM-RYUDHWBXSA-N 2 0 255.362 -0.036 20 0 CBADRP O=C(NCC[NH2+]CCF)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779564 813748597 /nfs/dbraw/zinc/74/85/97/813748597.db2.gz OEWKQWQIMHKBSL-MNOVXSKESA-N 2 0 259.325 -0.475 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001128774126 813796282 /nfs/dbraw/zinc/79/62/82/813796282.db2.gz MJMRKCNCRNARHD-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC ZINC001128773910 813796907 /nfs/dbraw/zinc/79/69/07/813796907.db2.gz IHUGXKQIEOHABG-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001128778145 813797661 /nfs/dbraw/zinc/79/76/61/813797661.db2.gz BNTXZWOQPDOWOI-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001128779159 813798716 /nfs/dbraw/zinc/79/87/16/813798716.db2.gz PTIRJBATCUXYDB-SNVBAGLBSA-N 2 0 256.350 -0.948 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001128783866 813799416 /nfs/dbraw/zinc/79/94/16/813799416.db2.gz JLDXVUUHCCJBFP-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001128786133 813799676 /nfs/dbraw/zinc/79/96/76/813799676.db2.gz RTDFJCBUKPRIDG-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204973 813825017 /nfs/dbraw/zinc/82/50/17/813825017.db2.gz NJQASCIZFVYBFL-OLZOCXBDSA-N 2 0 294.403 -0.019 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129351116 813836002 /nfs/dbraw/zinc/83/60/02/813836002.db2.gz KRXXBTNGSAMNGC-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP C[NH+](C)C1(C(=O)NCC[NH2+]CCN2CCNC2=O)CCC1 ZINC001129356833 813836034 /nfs/dbraw/zinc/83/60/34/813836034.db2.gz IWRMKTSHVRQMJF-UHFFFAOYSA-N 2 0 297.403 -0.798 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]CC(N)=O ZINC001129415778 813839914 /nfs/dbraw/zinc/83/99/14/813839914.db2.gz CMEWTXMQVPPLFH-LLVKDONJSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364621 813840884 /nfs/dbraw/zinc/84/08/84/813840884.db2.gz YOALWYKYQMTHEQ-JSGCOSHPSA-N 2 0 299.415 -0.284 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCCC1)C1CC1 ZINC001129435153 813841203 /nfs/dbraw/zinc/84/12/03/813841203.db2.gz CFNFYLOPEUBXOF-CQSZACIVSA-N 2 0 296.415 -0.345 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129436535 813841250 /nfs/dbraw/zinc/84/12/50/813841250.db2.gz QSIGKLFEJIMJML-NWDGAFQWSA-N 2 0 273.377 -0.960 20 0 CBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129436713 813842887 /nfs/dbraw/zinc/84/28/87/813842887.db2.gz RUQKKJCBZVYMRR-BXUZGUMPSA-N 2 0 298.431 -0.053 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1=O ZINC001129444092 813844769 /nfs/dbraw/zinc/84/47/69/813844769.db2.gz PWWYXGBZNVGEAH-NEPJUHHUSA-N 2 0 282.388 -0.737 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129444540 813845274 /nfs/dbraw/zinc/84/52/74/813845274.db2.gz UVBNPOCHYVUBJC-KOLCDFICSA-N 2 0 270.377 -0.833 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129450368 813845396 /nfs/dbraw/zinc/84/53/96/813845396.db2.gz ZMFAJXOCJCERSZ-AAEUAGOBSA-N 2 0 298.431 -0.053 20 0 CBADRP C[N@H+](CC(=O)NCC[NH2+][C@@H]1CCNC1=O)C1CCC1 ZINC001129532163 813848653 /nfs/dbraw/zinc/84/86/53/813848653.db2.gz SYKQKTLDGPFBMI-LLVKDONJSA-N 2 0 268.361 -0.935 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001129531626 813850623 /nfs/dbraw/zinc/85/06/23/813850623.db2.gz CHPJNXLQMLDENT-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001129535402 813851163 /nfs/dbraw/zinc/85/11/63/813851163.db2.gz PWLJXPODUIHGGN-NSHDSACASA-N 2 0 270.377 -0.560 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001129839951 813870754 /nfs/dbraw/zinc/87/07/54/813870754.db2.gz CLEPXVCPQQIMAM-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001129854976 813871024 /nfs/dbraw/zinc/87/10/24/813871024.db2.gz AQIZYGLXUVNGMT-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC(N)=O ZINC001129856663 813871898 /nfs/dbraw/zinc/87/18/98/813871898.db2.gz VJAKMCWHSULPOY-SNVBAGLBSA-N 2 0 256.350 -0.948 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001129949409 813881827 /nfs/dbraw/zinc/88/18/27/813881827.db2.gz CLYIXEPZBVZASD-NEPJUHHUSA-N 2 0 284.404 -0.491 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CCN1CCNC1=O)[NH+](C)C ZINC001129949919 813881889 /nfs/dbraw/zinc/88/18/89/813881889.db2.gz KDOLIFGSDNSUJO-LBPRGKRZSA-N 2 0 299.419 -0.696 20 0 CBADRP CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129994357 813894108 /nfs/dbraw/zinc/89/41/08/813894108.db2.gz JSXCNUXRNRGHNE-OLZOCXBDSA-N 2 0 294.403 -0.019 20 0 CBADRP CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001130198189 813915321 /nfs/dbraw/zinc/91/53/21/813915321.db2.gz ZDZGAODWYFVPAD-GFCCVEGCSA-N 2 0 286.420 -0.051 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130186285 813915553 /nfs/dbraw/zinc/91/55/53/813915553.db2.gz FCYCBGGTARPQLU-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(C)(C)C)[NH+](C)C ZINC001130197931 813916434 /nfs/dbraw/zinc/91/64/34/813916434.db2.gz RLVFMVHZVVNGTA-LLVKDONJSA-N 2 0 286.420 -0.053 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001130198113 813916869 /nfs/dbraw/zinc/91/68/69/813916869.db2.gz UZMIPBUEBDPMSL-LLVKDONJSA-N 2 0 268.365 -0.639 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001130205032 813918684 /nfs/dbraw/zinc/91/86/84/813918684.db2.gz DXUAXONQZCTOGT-WDEREUQCSA-N 2 0 272.393 -0.491 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001130205436 813919183 /nfs/dbraw/zinc/91/91/83/813919183.db2.gz LJHMLWGSWSWXTB-GHMZBOCLSA-N 2 0 270.377 -0.737 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC(C)C)[NH+](C)C ZINC001130205623 813919308 /nfs/dbraw/zinc/91/93/08/813919308.db2.gz QSCAAPGFDBPUIV-GFCCVEGCSA-N 2 0 286.420 -0.195 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130297506 813924064 /nfs/dbraw/zinc/92/40/64/813924064.db2.gz NLQNSCGUJDDZMY-RYUDHWBXSA-N 2 0 273.377 -0.816 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCOCCO ZINC001130299717 813924299 /nfs/dbraw/zinc/92/42/99/813924299.db2.gz BDAKIXUQAOQNLZ-LBPRGKRZSA-N 2 0 273.377 -0.815 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130297645 813924965 /nfs/dbraw/zinc/92/49/65/813924965.db2.gz OELMTMLXJOLMEQ-ZDUSSCGKSA-N 2 0 294.403 -0.012 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001130297731 813925292 /nfs/dbraw/zinc/92/52/92/813925292.db2.gz QGUNAUAKWSYZEY-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)C(C)(C)[N@H+](C)CC)C(N)=O ZINC001130427595 813937924 /nfs/dbraw/zinc/93/79/24/813937924.db2.gz NVWWZSNYKPBROI-JTQLQIEISA-N 2 0 272.393 -0.314 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001130421766 813938894 /nfs/dbraw/zinc/93/88/94/813938894.db2.gz IVZWUWYXFZGSTF-SECBINFHSA-N 2 0 258.366 -0.704 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]C[C@H](O)COC ZINC001130425423 813939444 /nfs/dbraw/zinc/93/94/44/813939444.db2.gz YOJIUMYGFJGLJT-NSHDSACASA-N 2 0 275.393 -0.570 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130419332 813939827 /nfs/dbraw/zinc/93/98/27/813939827.db2.gz VSAGIOBUODDUJV-UHFFFAOYSA-N 2 0 286.420 -0.099 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001130709211 813968583 /nfs/dbraw/zinc/96/85/83/813968583.db2.gz XFYAMXSYHANVFI-NEPJUHHUSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130711636 813968712 /nfs/dbraw/zinc/96/87/12/813968712.db2.gz YQIQFSKBWLMXFC-LBPRGKRZSA-N 2 0 284.404 -0.441 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130808775 813983389 /nfs/dbraw/zinc/98/33/89/813983389.db2.gz QSYWAVLBDASXHP-LBPRGKRZSA-N 2 0 285.388 -0.672 20 0 CBADRP O=C(NCC[NH2+][C@@H]1CCCNC1=O)C12CCC[NH+]1CCC2 ZINC001130805688 813983508 /nfs/dbraw/zinc/98/35/08/813983508.db2.gz IKNFUPFWCFUAFT-GFCCVEGCSA-N 2 0 294.399 -0.401 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130805676 813984571 /nfs/dbraw/zinc/98/45/71/813984571.db2.gz IABJXDSITCZBHY-UHFFFAOYSA-N 2 0 296.415 -0.153 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1)C(N)=O ZINC001131374522 814023983 /nfs/dbraw/zinc/02/39/83/814023983.db2.gz DXXMRWQGJLFXRM-LBPRGKRZSA-N 2 0 289.339 -0.082 20 0 CBADRP CC(C)[N@@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131381607 814028005 /nfs/dbraw/zinc/02/80/05/814028005.db2.gz UJBJWMPYUDSVDQ-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP COCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519838 814037949 /nfs/dbraw/zinc/03/79/49/814037949.db2.gz KSIKRETXGZMBBH-OWYJLGKBSA-N 2 0 297.399 -0.408 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131789959 814068899 /nfs/dbraw/zinc/06/88/99/814068899.db2.gz BVMOHTXBFUIPRD-WCQYABFASA-N 2 0 296.415 -0.299 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790098 814069795 /nfs/dbraw/zinc/06/97/95/814069795.db2.gz GAHDSYCEXLLFAU-CQSZACIVSA-N 2 0 296.415 -0.345 20 0 CBADRP O=C(NCC[NH2+][C@H]1CCNC1=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790544 814069843 /nfs/dbraw/zinc/06/98/43/814069843.db2.gz PCJSOJOOIKYWIY-STQMWFEESA-N 2 0 294.399 -0.545 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283831 814119713 /nfs/dbraw/zinc/11/97/13/814119713.db2.gz KWEOXRIXLMGFQT-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)(C(=O)NCC[NH2+]CCCO)[NH+]1CCCC1 ZINC001132287260 814121994 /nfs/dbraw/zinc/12/19/94/814121994.db2.gz UJHGSROAEUVOHP-UHFFFAOYSA-N 2 0 257.378 -0.051 20 0 CBADRP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H](C)O)C1 ZINC001132848351 814193540 /nfs/dbraw/zinc/19/35/40/814193540.db2.gz GBYSEKSPLNQVMZ-RYUDHWBXSA-N 2 0 273.377 -0.818 20 0 CBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCCO)C1 ZINC001132848396 814194311 /nfs/dbraw/zinc/19/43/11/814194311.db2.gz HHHIHWAFFHVVJM-LBPRGKRZSA-N 2 0 273.377 -0.816 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+][C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC001132886156 814197268 /nfs/dbraw/zinc/19/72/68/814197268.db2.gz DJVRPMPPJHAXBH-RWMBFGLXSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001132886144 814197283 /nfs/dbraw/zinc/19/72/83/814197283.db2.gz DHXWENAJJPAJJH-AXFHLTTASA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001132886145 814197863 /nfs/dbraw/zinc/19/78/63/814197863.db2.gz DHXWENAJJPAJJH-DCAQKATOSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)c1occc1C[NH+](C)C)C(N)=O ZINC001132983997 814204412 /nfs/dbraw/zinc/20/44/12/814204412.db2.gz UTDVDRRQGKDAKZ-VIFPVBQESA-N 2 0 282.344 -0.466 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC(=O)N2CCC2)CC1 ZINC001132992876 814206513 /nfs/dbraw/zinc/20/65/13/814206513.db2.gz ICLKWQXWNACFRE-UHFFFAOYSA-N 2 0 282.388 -0.734 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC[NH2+][C@H]2CCCNC2=O)CC1 ZINC001132993086 814206705 /nfs/dbraw/zinc/20/67/05/814206705.db2.gz MUHMHWAMBWTVPF-NSHDSACASA-N 2 0 282.388 -0.687 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001132993085 814207396 /nfs/dbraw/zinc/20/73/96/814207396.db2.gz MUHMHWAMBWTVPF-LLVKDONJSA-N 2 0 282.388 -0.687 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040548 814211676 /nfs/dbraw/zinc/21/16/76/814211676.db2.gz WIDGDBOAICRXOI-NSHDSACASA-N 2 0 261.366 -0.959 20 0 CBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040415 814212043 /nfs/dbraw/zinc/21/20/43/814212043.db2.gz PYUOASLKPJCESQ-LBPRGKRZSA-N 2 0 286.420 -0.051 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133048294 814212227 /nfs/dbraw/zinc/21/22/27/814212227.db2.gz RCMLBULOVVDJLR-SNVBAGLBSA-N 2 0 258.366 -0.832 20 0 CBADRP Cn1ccc(C[NH2+]CCNC(=O)CCC[NH+](C)C)cc1=O ZINC001133040380 814212444 /nfs/dbraw/zinc/21/24/44/814212444.db2.gz OAZQDBBCVUKGGB-UHFFFAOYSA-N 2 0 294.399 -0.067 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)CCC[NH+](C)C)C1=O ZINC001133043092 814212817 /nfs/dbraw/zinc/21/28/17/814212817.db2.gz QZOUVQZVBMTIOM-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133288550 814235231 /nfs/dbraw/zinc/23/52/31/814235231.db2.gz ZOKYUFMGQZVCHY-UHFFFAOYSA-N 2 0 270.377 -0.830 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001133281853 814235848 /nfs/dbraw/zinc/23/58/48/814235848.db2.gz PPUMCYUKCSXJQB-LBPRGKRZSA-N 2 0 282.388 -0.735 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133287266 814236127 /nfs/dbraw/zinc/23/61/27/814236127.db2.gz DYMURLAZPUVAHN-UHFFFAOYSA-N 2 0 287.404 -0.303 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001133288274 814236201 /nfs/dbraw/zinc/23/62/01/814236201.db2.gz TZFNWPGVFMVUCB-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001133281705 814236498 /nfs/dbraw/zinc/23/64/98/814236498.db2.gz IKKCPHQQZRIHIE-LLVKDONJSA-N 2 0 270.377 -0.702 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001133297397 814239674 /nfs/dbraw/zinc/23/96/74/814239674.db2.gz MSSBRCULNWRHCR-NSHDSACASA-N 2 0 291.417 -0.921 20 0 CBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C)on1 ZINC001133294863 814239952 /nfs/dbraw/zinc/23/99/52/814239952.db2.gz XMNXCKHBLBTISX-UHFFFAOYSA-N 2 0 297.359 -0.421 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001133295000 814240128 /nfs/dbraw/zinc/24/01/28/814240128.db2.gz ZJJTZILMNSNBBY-UHFFFAOYSA-N 2 0 272.393 -0.441 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133819368 814301029 /nfs/dbraw/zinc/30/10/29/814301029.db2.gz AAWHSSVDRPUVJH-CYBMUJFWSA-N 2 0 287.404 -0.161 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001133824010 814301591 /nfs/dbraw/zinc/30/15/91/814301591.db2.gz VVFPXGWKOSUSTR-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CCn1cncn1 ZINC001133823908 814303321 /nfs/dbraw/zinc/30/33/21/814303321.db2.gz SARIAJCXQVHGPI-LBPRGKRZSA-N 2 0 280.376 -0.532 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001133845554 814309131 /nfs/dbraw/zinc/30/91/31/814309131.db2.gz INBYRSHANBVSGN-GFCCVEGCSA-N 2 0 296.415 -0.440 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1=O ZINC001133845689 814309541 /nfs/dbraw/zinc/30/95/41/814309541.db2.gz LRVYXRJATQOIGB-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845651 814309661 /nfs/dbraw/zinc/30/96/61/814309661.db2.gz KQOGTPXZEUIFJH-LBPRGKRZSA-N 2 0 284.404 -0.441 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133869277 814315162 /nfs/dbraw/zinc/31/51/62/814315162.db2.gz CIFXSGNEBGSRIS-CHWSQXEVSA-N 2 0 298.431 -0.243 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ccnn1C ZINC001133866693 814315392 /nfs/dbraw/zinc/31/53/92/814315392.db2.gz NRUSULWCEQVJHR-YPMHNXCESA-N 2 0 279.388 -0.176 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133870145 814317696 /nfs/dbraw/zinc/31/76/96/814317696.db2.gz QPZPZCMCTCWMRG-NWDGAFQWSA-N 2 0 284.404 -0.586 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133870147 814318468 /nfs/dbraw/zinc/31/84/68/814318468.db2.gz QPZPZCMCTCWMRG-VXGBXAGGSA-N 2 0 284.404 -0.586 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001133869715 814318634 /nfs/dbraw/zinc/31/86/34/814318634.db2.gz JYGWSQFBPOWYGF-ZYHUDNBSSA-N 2 0 282.388 -0.832 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133870150 814318813 /nfs/dbraw/zinc/31/88/13/814318813.db2.gz QQJVFFQQVUNCPB-QWRGUYRKSA-N 2 0 270.377 -0.974 20 0 CBADRP C[N@H+](CC(=O)NCC[NH2+]CCOCCO)CC(C)(C)C ZINC001133905788 814322035 /nfs/dbraw/zinc/32/20/35/814322035.db2.gz HCXFWFOKRUEAQD-UHFFFAOYSA-N 2 0 289.420 -0.321 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O)[NH+](C)C ZINC001133962394 814330721 /nfs/dbraw/zinc/33/07/21/814330721.db2.gz HRLNXBVEBAQGFK-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COC)[NH+](C)C ZINC001133962123 814330875 /nfs/dbraw/zinc/33/08/75/814330875.db2.gz DLHISBZDVSOKTH-MNOVXSKESA-N 2 0 261.366 -0.960 20 0 CBADRP C[NH+]1CCC(CC(=O)NCC[NH2+]CCn2cncn2)CC1 ZINC001134780338 814412392 /nfs/dbraw/zinc/41/23/92/814412392.db2.gz BHNKENKWZSJXMT-UHFFFAOYSA-N 2 0 294.403 -0.284 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780353 814412517 /nfs/dbraw/zinc/41/25/17/814412517.db2.gz BVWBXWYTFSHZON-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001134780307 814412680 /nfs/dbraw/zinc/41/26/80/814412680.db2.gz AABDEVBRPBCLSK-JTQLQIEISA-N 2 0 270.377 -0.702 20 0 CBADRP O=C(NCC[NH2+]CCOCCO)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135095680 814437476 /nfs/dbraw/zinc/43/74/76/814437476.db2.gz NRFAORRSGDXSRJ-ZIAGYGMSSA-N 2 0 299.415 -0.282 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135095229 814437758 /nfs/dbraw/zinc/43/77/58/814437758.db2.gz BIXJDKPBISYWQE-GHMZBOCLSA-N 2 0 268.361 -0.806 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135092648 814437947 /nfs/dbraw/zinc/43/79/47/814437947.db2.gz AIDKBLTYCISVNF-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NCC[NH2+]CCF)cn1 ZINC001135119296 814438791 /nfs/dbraw/zinc/43/87/91/814438791.db2.gz ZOGMUOAMJJEZHT-UHFFFAOYSA-N 2 0 271.340 -0.266 20 0 CBADRP COC[C@@H](C)[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135118404 814439194 /nfs/dbraw/zinc/43/91/94/814439194.db2.gz LQVZKPWYFWBDDU-GFCCVEGCSA-N 2 0 297.403 -0.201 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135309610 814460797 /nfs/dbraw/zinc/46/07/97/814460797.db2.gz ZRWKEHLDUNKDKM-RYUDHWBXSA-N 2 0 286.420 -0.053 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159914483 815604968 /nfs/dbraw/zinc/60/49/68/815604968.db2.gz CCMBHPMCIPDUCR-CYBMUJFWSA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CCCO)C1CC1 ZINC001159931613 815606256 /nfs/dbraw/zinc/60/62/56/815606256.db2.gz GULHJZJHKQAFFJ-LBPRGKRZSA-N 2 0 257.378 -0.195 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159932554 815606727 /nfs/dbraw/zinc/60/67/27/815606727.db2.gz RUOXUZQDXZSWFV-JQWIXIFHSA-N 2 0 284.404 -0.443 20 0 CBADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CC(N)=O ZINC001135436973 814476055 /nfs/dbraw/zinc/47/60/55/814476055.db2.gz IKHOKSRJJXJEIM-UHFFFAOYSA-N 2 0 272.393 -0.310 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135513319 814481029 /nfs/dbraw/zinc/48/10/29/814481029.db2.gz MNDZROBGDNAYFT-GFCCVEGCSA-N 2 0 286.420 -0.051 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)NCC(C)C ZINC001135513777 814481070 /nfs/dbraw/zinc/48/10/70/814481070.db2.gz YMKITMRQULCSGR-UHFFFAOYSA-N 2 0 286.420 -0.194 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]C[C@@H](O)COC ZINC001135511547 814481373 /nfs/dbraw/zinc/48/13/73/814481373.db2.gz SFBHOWJTUVOXTA-LLVKDONJSA-N 2 0 261.366 -0.959 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156512 815611878 /nfs/dbraw/zinc/61/18/78/815611878.db2.gz QQNVJVHVFNEPLF-MJBXVCDLSA-N 3 0 296.415 -0.626 20 0 CBADRP CC1CC[NH+](CC(=O)NCC[NH2+]CCOCCO)CC1 ZINC001135688204 814511579 /nfs/dbraw/zinc/51/15/79/814511579.db2.gz GXISITAPIYTBEC-UHFFFAOYSA-N 2 0 287.404 -0.567 20 0 CBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001160426958 815619105 /nfs/dbraw/zinc/61/91/05/815619105.db2.gz KRBYROFMQJJGEG-ZDUSSCGKSA-N 2 0 286.420 -0.243 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938668 814538908 /nfs/dbraw/zinc/53/89/08/814538908.db2.gz MRZAESBOGHZADA-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]C[C@H]2CCOC2)CC1 ZINC001135963452 814540945 /nfs/dbraw/zinc/54/09/45/814540945.db2.gz NHAGZUMSAODYPU-CYBMUJFWSA-N 2 0 299.415 -0.161 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001135975737 814542427 /nfs/dbraw/zinc/54/24/27/814542427.db2.gz BNZQDOZMPZJZEG-VXGBXAGGSA-N 2 0 286.420 -0.053 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC ZINC001135975736 814543424 /nfs/dbraw/zinc/54/34/24/814543424.db2.gz BNZQDOZMPZJZEG-RYUDHWBXSA-N 2 0 286.420 -0.053 20 0 CBADRP C[NH+](C)CCN1CCN(CC2C(=O)N=CNC2=O)CC1 ZINC001140468305 814636260 /nfs/dbraw/zinc/63/62/60/814636260.db2.gz FMDFXSVEFOBQRO-UHFFFAOYSA-N 2 0 281.360 -0.433 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)CC1C(=O)N=CNC1=O ZINC001140475439 814639646 /nfs/dbraw/zinc/63/96/46/814639646.db2.gz KKDBTDYBUKPGSA-UHFFFAOYSA-N 2 0 283.376 -0.187 20 0 CBADRP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001141196524 814649790 /nfs/dbraw/zinc/64/97/90/814649790.db2.gz FZCIHWPEXWHBSR-NRWUCQMLSA-N 2 0 267.373 -0.396 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC001141653980 814663308 /nfs/dbraw/zinc/66/33/08/814663308.db2.gz LUKVCSXQAOGJTO-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP Cn1cc(CCC(=O)N(CCCC[NH3+])C(N)=[NH2+])cn1 ZINC001141880752 814669140 /nfs/dbraw/zinc/66/91/40/814669140.db2.gz BOAXWBQXNSKOQQ-UHFFFAOYSA-N 2 0 266.349 -0.186 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C=Cc1c[nH]cn1 ZINC001142274867 814706256 /nfs/dbraw/zinc/70/62/56/814706256.db2.gz QAIKBTMXCPYKPZ-ONEGZZNKSA-N 2 0 250.306 -0.116 20 0 CBADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)C1C[NH+](C)C1 ZINC001142594562 814720414 /nfs/dbraw/zinc/72/04/14/814720414.db2.gz QRESXEZBRVVBEK-UONOGXRCSA-N 2 0 280.416 -0.215 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@H]1Nc1ncnc2c1CC[NH2+]CC2 ZINC001159671208 815583560 /nfs/dbraw/zinc/58/35/60/815583560.db2.gz IOXUBWVIPCYQDQ-JOYOIKCWSA-N 2 0 263.345 -0.843 20 0 CBADRP N=c1cc(C[NH3+])ncn1C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001142632251 814726137 /nfs/dbraw/zinc/72/61/37/814726137.db2.gz BSWONTDDWFWHDH-LLVKDONJSA-N 2 0 261.329 -0.054 20 0 CBADRP Cc1nc(N[C@H]2C[NH2+]C[C@@H]2CO)cc(N(C)C)[nH+]1 ZINC001159671644 815584819 /nfs/dbraw/zinc/58/48/19/815584819.db2.gz KDFMYGUKSJLEPD-ZJUUUORDSA-N 2 0 251.334 -0.157 20 0 CBADRP C[NH+]1CCN(c2ccc(N[C@@H]3C[NH2+]C[C@H]3CO)nn2)CC1 ZINC001159672692 815584906 /nfs/dbraw/zinc/58/49/06/815584906.db2.gz RRBBRFQJNXPSLW-NWDGAFQWSA-N 2 0 292.387 -0.779 20 0 CBADRP OC[C@H]1C[NH2+]C[C@H]1Nc1nc(Cl)nc2c1CC[NH2+]C2 ZINC001159673018 815585008 /nfs/dbraw/zinc/58/50/08/815585008.db2.gz UJUPZUORRNHYBT-VXNVDRBHSA-N 2 0 283.763 -0.232 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@@H]1Nc1nc(Cl)nc2c1C[NH2+]CC2 ZINC001159673394 815585797 /nfs/dbraw/zinc/58/57/97/815585797.db2.gz WOISNXGTLDLTGB-XVKPBYJWSA-N 2 0 283.763 -0.232 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1C(=O)CCN1CC[NH+](C)CC1 ZINC001143231689 814764838 /nfs/dbraw/zinc/76/48/38/814764838.db2.gz PNCNBZSDMVYKLC-AWEZNQCLSA-N 2 0 298.431 -0.587 20 0 CBADRP C[NH+]1CCC(C(=O)NC2(CO)CC[NH+](C)CC2)CC1 ZINC001143317519 814769463 /nfs/dbraw/zinc/76/94/63/814769463.db2.gz SWPHQJXREOSDAG-UHFFFAOYSA-N 2 0 269.389 -0.099 20 0 CBADRP CN(CC(=O)n1ccc([C@@H]2CCC[NH2+]2)nc1=N)C(N)=[NH2+] ZINC001144132243 814773391 /nfs/dbraw/zinc/77/33/91/814773391.db2.gz KONOYBZXQRXAEE-QMMMGPOBSA-N 2 0 277.332 -0.747 20 0 CBADRP COc1cccc(C[C@H]([NH3+])C(=O)NC2(C[NH3+])COC2)c1 ZINC001144942548 814778963 /nfs/dbraw/zinc/77/89/63/814778963.db2.gz IAELHXVKSUTNCC-LBPRGKRZSA-N 2 0 279.340 -0.591 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001146711369 814844113 /nfs/dbraw/zinc/84/41/13/814844113.db2.gz RBTMUJZFRIOXNC-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001146710761 814844154 /nfs/dbraw/zinc/84/41/54/814844154.db2.gz MWLQWQBQCZWCQV-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)CC[N@H+](C)CC)C(N)=O ZINC001146710205 814844410 /nfs/dbraw/zinc/84/44/10/814844410.db2.gz FOANXUVRWDBUHB-SNVBAGLBSA-N 2 0 258.366 -0.702 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CCn1cncn1 ZINC001146711870 814845219 /nfs/dbraw/zinc/84/52/19/814845219.db2.gz YLPVYTRBOQPMCK-UHFFFAOYSA-N 2 0 268.365 -0.674 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cc(=O)[nH]c(=O)[nH]1 ZINC001147702044 814913089 /nfs/dbraw/zinc/91/30/89/814913089.db2.gz DTZFUOHZUUCEMV-UHFFFAOYSA-N 2 0 296.331 -0.435 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001147877408 814921949 /nfs/dbraw/zinc/92/19/49/814921949.db2.gz JGBVURUPVQFEEY-CYBMUJFWSA-N 2 0 296.415 -0.440 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001147885466 814922390 /nfs/dbraw/zinc/92/23/90/814922390.db2.gz MJLBRLMKCCKLKQ-RYUDHWBXSA-N 2 0 282.388 -0.687 20 0 CBADRP Cn1cc(CNCCNC(=O)C[C@H]2CC[N@H+](C)C2)nn1 ZINC001147885804 814922750 /nfs/dbraw/zinc/92/27/50/814922750.db2.gz PEPXGINGSSXPQK-LLVKDONJSA-N 2 0 280.376 -0.637 20 0 CBADRP Cn1cc(CNCCNC(=O)C[C@@H]2CC[N@H+](C)C2)nn1 ZINC001147885806 814922767 /nfs/dbraw/zinc/92/27/67/814922767.db2.gz PEPXGINGSSXPQK-NSHDSACASA-N 2 0 280.376 -0.637 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147878220 814922971 /nfs/dbraw/zinc/92/29/71/814922971.db2.gz VKYXNELTLASSHE-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147877604 814923214 /nfs/dbraw/zinc/92/32/14/814923214.db2.gz MLEVMGONERBTMU-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147877956 814923399 /nfs/dbraw/zinc/92/33/99/814923399.db2.gz QJFYDFBZGXFBND-LBPRGKRZSA-N 2 0 284.404 -0.440 20 0 CBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC[C@H]1CCOC1 ZINC001147884899 814923454 /nfs/dbraw/zinc/92/34/54/814923454.db2.gz HOQSTWDVQNNNGS-ZDUSSCGKSA-N 2 0 287.404 -0.303 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159914484 815603980 /nfs/dbraw/zinc/60/39/80/815603980.db2.gz CCMBHPMCIPDUCR-ZDUSSCGKSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C)C(N)=O ZINC001159925042 815604120 /nfs/dbraw/zinc/60/41/20/815604120.db2.gz NKILWSYQOYLPAR-ONGXEEELSA-N 2 0 270.377 -0.704 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156160 815609965 /nfs/dbraw/zinc/60/99/65/815609965.db2.gz ODIHWVGORMSQED-FQUUOJAGSA-N 2 0 295.383 -0.969 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@@H]2C[C@H]1C[C@H]2F ZINC001160428400 815620869 /nfs/dbraw/zinc/62/08/69/815620869.db2.gz TYPFNYJWHXWEGY-UKKRHICBSA-N 2 0 253.321 -0.246 20 0 CBADRP COCCN(C(=O)CNCC[NH3+])C1CC[NH+](C)CC1 ZINC001160439838 815622618 /nfs/dbraw/zinc/62/26/18/815622618.db2.gz OATVGWBDYHTIDS-UHFFFAOYSA-N 2 0 272.393 -0.896 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001160454327 815623295 /nfs/dbraw/zinc/62/32/95/815623295.db2.gz MNTWOIRZZPXTHB-DZGCQCFKSA-N 2 0 280.416 -0.262 20 0 CBADRP COCCN(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C(C)C ZINC001160463217 815624881 /nfs/dbraw/zinc/62/48/81/815624881.db2.gz HOWGZOILHWXJBJ-NSHDSACASA-N 2 0 255.362 -0.321 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1 ZINC001160459952 815625044 /nfs/dbraw/zinc/62/50/44/815625044.db2.gz SWSUOAMQWYOCCZ-LBPRGKRZSA-N 2 0 282.388 -0.606 20 0 CBADRP COCCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C(C)C ZINC001160462890 815625186 /nfs/dbraw/zinc/62/51/86/815625186.db2.gz CASQWWMBKWJVLJ-ZDUSSCGKSA-N 2 0 286.420 -0.380 20 0 CBADRP [NH3+]C[C@@]1(Nc2ncnc3c2CC[NH2+]C3)CN2CCC1CC2 ZINC001160511267 815631135 /nfs/dbraw/zinc/63/11/35/815631135.db2.gz NMVXTLWPKIOQOK-OAHLLOKOSA-N 2 0 288.399 -0.043 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(C)CC(=O)N(C)C ZINC001160504373 815631754 /nfs/dbraw/zinc/63/17/54/815631754.db2.gz MIFGNVJJZJWGOJ-JTQLQIEISA-N 2 0 258.366 -0.750 20 0 CBADRP [NH3+]C1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]3CCO[C@H]32)CC1 ZINC001160515596 815632507 /nfs/dbraw/zinc/63/25/07/815632507.db2.gz NWDBBTGEJPJQCW-YUSALJHKSA-N 2 0 253.346 -0.439 20 0 CBADRP CN(CC(=O)N1CCC([NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC001160514137 815633344 /nfs/dbraw/zinc/63/33/44/815633344.db2.gz OZEAHKUPKLIOJE-GFCCVEGCSA-N 2 0 254.378 -0.380 20 0 CBADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)C[C@H](O)C[NH3+] ZINC001160539175 815634079 /nfs/dbraw/zinc/63/40/79/815634079.db2.gz NQBLTRQULNZAOO-IUCAKERBSA-N 2 0 265.317 -0.863 20 0 CBADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001160539534 815634529 /nfs/dbraw/zinc/63/45/29/815634529.db2.gz WLCGMHNWAYGQML-WCABBAIRSA-N 2 0 277.328 -0.850 20 0 CBADRP Cn1cc2c(n1)CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001160558799 815637182 /nfs/dbraw/zinc/63/71/82/815637182.db2.gz UYLHOKMABZSYTP-NSHDSACASA-N 2 0 265.361 -0.239 20 0 CBADRP Cn1cc2c(n1)CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001160557966 815637669 /nfs/dbraw/zinc/63/76/69/815637669.db2.gz KPFVQVFXYXSBNV-NSHDSACASA-N 2 0 275.356 -0.886 20 0 CBADRP Cn1ncc2c1CN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001160565226 815638955 /nfs/dbraw/zinc/63/89/55/815638955.db2.gz OITDYZHFNDNMMO-SNVBAGLBSA-N 2 0 261.329 -0.929 20 0 CBADRP CC(C)(C)[NH+]1CCN(C(=O)[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001160578402 815641480 /nfs/dbraw/zinc/64/14/80/815641480.db2.gz YOKLNFLWRBWXDI-WDEREUQCSA-N 2 0 255.362 -0.491 20 0 CBADRP CCOC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCO1 ZINC001160596179 815642394 /nfs/dbraw/zinc/64/23/94/815642394.db2.gz LFEHALXKQDRFHG-NWDGAFQWSA-N 2 0 299.371 -0.896 20 0 CBADRP COC(=O)[C@]1(C)CCCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001160635876 815646416 /nfs/dbraw/zinc/64/64/16/815646416.db2.gz MKIOGVQAKZDMDM-GXFFZTMASA-N 2 0 271.361 -0.146 20 0 CBADRP COC(=O)[C@@]1(C)CCCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001160634786 815646428 /nfs/dbraw/zinc/64/64/28/815646428.db2.gz DPBWKQBBRMYETL-RISCZKNCSA-N 2 0 295.383 -0.403 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@@H](n2cncn2)C1 ZINC001160635611 815646460 /nfs/dbraw/zinc/64/64/60/815646460.db2.gz BCCQQEWWRWXUKK-VXGBXAGGSA-N 2 0 290.371 -0.749 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC001160638738 815649471 /nfs/dbraw/zinc/64/94/71/815649471.db2.gz ZDCAGVRUEQNZKX-MNOVXSKESA-N 2 0 298.416 -0.539 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647549 815652204 /nfs/dbraw/zinc/65/22/04/815652204.db2.gz MTSVPYCLOCOJNV-NWDGAFQWSA-N 2 0 282.388 -0.334 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)C[NH2+]2)C[C@H]1O ZINC001160652581 815652674 /nfs/dbraw/zinc/65/26/74/815652674.db2.gz HIEJVOAMYDLUJW-DOLQZWNJSA-N 2 0 295.305 -0.163 20 0 CBADRP COC(=O)[C@H](C)N(C)C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001160718684 815663165 /nfs/dbraw/zinc/66/31/65/815663165.db2.gz QNCYXBMRKWDWQX-WPRPVWTQSA-N 2 0 257.334 -0.667 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001160689012 815657025 /nfs/dbraw/zinc/65/70/25/815657025.db2.gz SNQGMRMFGOCHID-ZDUSSCGKSA-N 2 0 296.415 -0.120 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C1(N)CC[NH2+]CC1 ZINC001160687522 815657466 /nfs/dbraw/zinc/65/74/66/815657466.db2.gz GFMCNDCZAYOTMU-UHFFFAOYSA-N 2 0 254.378 -0.379 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001160687829 815657561 /nfs/dbraw/zinc/65/75/61/815657561.db2.gz JFWBEUAHRBOTFD-CQSZACIVSA-N 2 0 297.447 -0.709 20 0 CBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001160696572 815659391 /nfs/dbraw/zinc/65/93/91/815659391.db2.gz WZIDIJHENOAQEH-WCQYABFASA-N 2 0 254.378 -0.475 20 0 CBADRP Cn1cnnc1C1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001160704147 815660282 /nfs/dbraw/zinc/66/02/82/815660282.db2.gz HOJHLUIBIKMRTJ-LLVKDONJSA-N 2 0 280.376 -0.413 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C[C@H]2C1 ZINC001160703880 815660469 /nfs/dbraw/zinc/66/04/69/815660469.db2.gz GQZBQFCTXSHNDS-RYDOPVQFSA-N 2 0 273.402 -0.898 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@H]2C1 ZINC001160704523 815660717 /nfs/dbraw/zinc/66/07/17/815660717.db2.gz LIMNQBMDMQBKNF-AXFHLTTASA-N 3 0 272.418 -0.974 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)[C@H]([NH3+])Cc3cnc[nH]3)C[C@H]2C1 ZINC001160704896 815662340 /nfs/dbraw/zinc/66/23/40/815662340.db2.gz QHUQROXNCPHACU-JFGNBEQYSA-N 2 0 263.345 -0.701 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C1CCS(=O)(=O)CC1 ZINC001160718347 815663188 /nfs/dbraw/zinc/66/31/88/815663188.db2.gz GBBISSABHVBJQX-JTQLQIEISA-N 2 0 277.390 -0.912 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC001160725923 815665651 /nfs/dbraw/zinc/66/56/51/815665651.db2.gz IDQHHBHSRBNJCV-ZDUSSCGKSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1CO[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]12 ZINC001160755937 815666461 /nfs/dbraw/zinc/66/64/61/815666461.db2.gz CMXJOXAMLCKRGX-WISYIIOYSA-N 2 0 255.362 -0.064 20 0 CBADRP C[C@@H]1CO[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]12 ZINC001160756464 815667388 /nfs/dbraw/zinc/66/73/88/815667388.db2.gz LSNRHGOEKPZFKS-WISYIIOYSA-N 2 0 265.357 -0.711 20 0 CBADRP O=C(N1CCc2nccn2CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160760280 815669133 /nfs/dbraw/zinc/66/91/33/815669133.db2.gz JOSZRXCHJSXXQX-IUODEOHRSA-N 2 0 289.383 -0.533 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CCOC[C@@H]1C[NH+](C)C ZINC001160837323 815676300 /nfs/dbraw/zinc/67/63/00/815676300.db2.gz HXRCDPZRBCUHKI-STQMWFEESA-N 2 0 295.387 -0.921 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(c2c[nH]cn2)CC1 ZINC001160845691 815677773 /nfs/dbraw/zinc/67/77/73/815677773.db2.gz FVBKKEJSLMFDFU-GFCCVEGCSA-N 2 0 289.383 -0.075 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001160883151 815683359 /nfs/dbraw/zinc/68/33/59/815683359.db2.gz FXZQNNBKYCHQOY-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+]CC(=O)NCC1CC1)[NH+](C)C ZINC001160883684 815685806 /nfs/dbraw/zinc/68/58/06/815685806.db2.gz TUOHLYXSMOTULC-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP O=C([C@H]1CC[NH2+]C[C@@H]1F)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915517 815686868 /nfs/dbraw/zinc/68/68/68/815686868.db2.gz BTOHDPWUXCZOPS-QWRGUYRKSA-N 2 0 279.319 -0.271 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915522 815686893 /nfs/dbraw/zinc/68/68/93/815686893.db2.gz BVHVHTZUVXEELI-SNVBAGLBSA-N 2 0 277.328 -0.840 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915797 815687122 /nfs/dbraw/zinc/68/71/22/815687122.db2.gz MZHGHVFUWAKOFF-NSHDSACASA-N 3 0 278.360 -0.762 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N(CCO)CC(F)(F)F ZINC001160909043 815687298 /nfs/dbraw/zinc/68/72/98/815687298.db2.gz JRCYLDSSHRHAMZ-ZETCQYMHSA-N 2 0 289.323 -0.611 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160916131 815688341 /nfs/dbraw/zinc/68/83/41/815688341.db2.gz VVVOLWBFRUUIPI-NSHDSACASA-N 2 0 293.371 -0.076 20 0 CBADRP O=C([C@@H]1CCCC[NH2+]1)N(c1ncccn1)C1C[NH2+]C1 ZINC001160916117 815688831 /nfs/dbraw/zinc/68/88/31/815688831.db2.gz VFLHLMPYSJERFC-NSHDSACASA-N 2 0 261.329 -0.077 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160967025 815690951 /nfs/dbraw/zinc/69/09/51/815690951.db2.gz IRFYQEUXIYZKSM-YUMQZZPRSA-N 3 0 250.293 -0.753 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC(F)(F)C1 ZINC001160967171 815691886 /nfs/dbraw/zinc/69/18/86/815691886.db2.gz JWASHMMCAFSJKW-QXEWZRGKSA-N 2 0 275.299 -0.583 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)CC(F)(F)C1 ZINC001160969282 815692284 /nfs/dbraw/zinc/69/22/84/815692284.db2.gz ZHWGNYGJMFUYDM-VDDIYKPWSA-N 2 0 274.315 -0.867 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999587 815693133 /nfs/dbraw/zinc/69/31/33/815693133.db2.gz HWIVZXYWKGCWPE-STQMWFEESA-N 3 0 298.431 -0.581 20 0 CBADRP N[C@@]1(C(=O)N2C[C@H]([NH3+])CC(F)(F)C2)CCC[NH2+]C1 ZINC001160971534 815693229 /nfs/dbraw/zinc/69/32/29/815693229.db2.gz IOTUJACNGTYVMT-SCZZXKLOSA-N 2 0 262.304 -0.738 20 0 CBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999291 815693271 /nfs/dbraw/zinc/69/32/71/815693271.db2.gz ANGWBYWRPMIURK-KXNHARMFSA-N 2 0 265.357 -0.833 20 0 CBADRP N[C@@]1(C(=O)N2C[C@@H]([NH3+])CC(F)(F)C2)CCC[NH2+]C1 ZINC001160971536 815693398 /nfs/dbraw/zinc/69/33/98/815693398.db2.gz IOTUJACNGTYVMT-WPRPVWTQSA-N 2 0 262.304 -0.738 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161007488 815693934 /nfs/dbraw/zinc/69/39/34/815693934.db2.gz KEOQTIDOKJBKJT-NEPJUHHUSA-N 2 0 283.372 -0.920 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cscn2)CC[NH2+]1 ZINC001161014554 815694094 /nfs/dbraw/zinc/69/40/94/815694094.db2.gz HJPFVYOPHHGVMP-SCZZXKLOSA-N 2 0 254.359 -0.167 20 0 CBADRP [NH3+]C1(C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)CCCC1 ZINC001161001689 815694118 /nfs/dbraw/zinc/69/41/18/815694118.db2.gz ZPEOCAAFAZMSNT-NSHDSACASA-N 2 0 267.373 -0.027 20 0 CBADRP CC(C)OC1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161009650 815694352 /nfs/dbraw/zinc/69/43/52/815694352.db2.gz HBXWRYZMYKLYLZ-LLVKDONJSA-N 2 0 253.346 -0.569 20 0 CBADRP CC(C)OC1CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161010192 815695136 /nfs/dbraw/zinc/69/51/36/815695136.db2.gz NNOQAZHNHNXUMU-LBPRGKRZSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23CCOCC3)CC[NH2+]1 ZINC001161016282 815696244 /nfs/dbraw/zinc/69/62/44/815696244.db2.gz VXHUGDSJLLYXLW-VXGBXAGGSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CCOCC3)CC[NH2+]1 ZINC001161016280 815696432 /nfs/dbraw/zinc/69/64/32/815696432.db2.gz VXHUGDSJLLYXLW-NEPJUHHUSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)CC[NH2+]1 ZINC001161016328 815696648 /nfs/dbraw/zinc/69/66/48/815696648.db2.gz WYUOBSXDXNNSDX-RDBSUJKOSA-N 2 0 280.416 -0.119 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2C[C@H]3C[NH2+]CC[C@@H]3O2)CC[NH2+]1 ZINC001161016102 815696775 /nfs/dbraw/zinc/69/67/75/815696775.db2.gz ROPQKNTXWNTQKN-NOOOWODRSA-N 2 0 253.346 -0.426 20 0 CBADRP NC(=S)C1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001161031083 815699891 /nfs/dbraw/zinc/69/98/91/815699891.db2.gz RVPFONIACTYBIO-VIFPVBQESA-N 2 0 258.391 -0.423 20 0 CBADRP NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001161034185 815702110 /nfs/dbraw/zinc/70/21/10/815702110.db2.gz BYYBMYLSYFBRJN-MNOVXSKESA-N 2 0 280.372 -0.663 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C1(C)CC[NH2+]CC1 ZINC001161073792 815706726 /nfs/dbraw/zinc/70/67/26/815706726.db2.gz SLDCTUIYQLTFJY-XTZNXHDOSA-N 2 0 275.418 -0.317 20 0 CBADRP Cn1cnnc1C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161042745 815703438 /nfs/dbraw/zinc/70/34/38/815703438.db2.gz UKZVQHODQNHWEP-GFCCVEGCSA-N 2 0 294.403 -0.105 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161043168 815704131 /nfs/dbraw/zinc/70/41/31/815704131.db2.gz YOCZKJODTXCIKE-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161043171 815704146 /nfs/dbraw/zinc/70/41/46/815704146.db2.gz YOCZKJODTXCIKE-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001161042135 815704209 /nfs/dbraw/zinc/70/42/09/815704209.db2.gz OVRWXODLZYFZIS-CYBMUJFWSA-N 2 0 296.415 -0.155 20 0 CBADRP Cn1ncnc1C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161041673 815704303 /nfs/dbraw/zinc/70/43/03/815704303.db2.gz LAALNJONJHJORV-GFCCVEGCSA-N 2 0 294.403 -0.105 20 0 CBADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161050473 815705421 /nfs/dbraw/zinc/70/54/21/815705421.db2.gz NPCNJUKMMVWFNY-CHWSQXEVSA-N 3 0 280.416 -0.264 20 0 CBADRP CN(C(=O)CN1CC[NH2+]CC1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161061622 815705471 /nfs/dbraw/zinc/70/54/71/815705471.db2.gz HUMQYQVOHUTBMP-RYUDHWBXSA-N 2 0 254.378 -0.380 20 0 CBADRP CN(C(=O)[C@]12C[NH2+]C[C@@H]1CCN2)[C@H]1CCCC[C@H]1[NH3+] ZINC001161058224 815706284 /nfs/dbraw/zinc/70/62/84/815706284.db2.gz PXKDENBZIJLPCF-OPDFLTKYSA-N 2 0 266.389 -0.334 20 0 CBADRP CN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])[C@H]1CCCC[C@@H]1[NH3+] ZINC001161063866 815707845 /nfs/dbraw/zinc/70/78/45/815707845.db2.gz NXJPHZXUBLFQDR-SRVKXCTJSA-N 2 0 282.388 -0.336 20 0 CBADRP CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)C1(C)CC[NH2+]CC1 ZINC001161066654 815707899 /nfs/dbraw/zinc/70/78/99/815707899.db2.gz CEUPBJKARPQMDW-FZMZJTMJSA-N 2 0 267.373 -0.177 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)C[C@H]21 ZINC001161081633 815708877 /nfs/dbraw/zinc/70/88/77/815708877.db2.gz LDKYGKXGRXBHBC-MCIONIFRSA-N 3 0 280.416 -0.134 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)C[C@H]21 ZINC001161081417 815709100 /nfs/dbraw/zinc/70/91/00/815709100.db2.gz JOIWSQSUSRNVCF-KKOKHZNYSA-N 2 0 253.346 -0.881 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)C[C@H]21 ZINC001161081027 815709295 /nfs/dbraw/zinc/70/92/95/815709295.db2.gz CJYBHJABNMPZCX-FIQHERPVSA-N 2 0 252.362 -0.914 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@]3(N)CC[NH2+]C3)C[C@H]21 ZINC001161080984 815709494 /nfs/dbraw/zinc/70/94/94/815709494.db2.gz AQCWLWTVBRHWDR-WZRBSPASSA-N 2 0 252.362 -0.770 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])Cc3cnc[nH]3)C[C@H]21 ZINC001161081351 815709612 /nfs/dbraw/zinc/70/96/12/815709612.db2.gz ITJSUPIDGDNUIN-RAIGVLPGSA-N 2 0 277.372 -0.168 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161084953 815711710 /nfs/dbraw/zinc/71/17/10/815711710.db2.gz KXWIKZVTUALTDU-DCAQKATOSA-N 2 0 269.345 -0.428 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C[C@H]21 ZINC001161082408 815711810 /nfs/dbraw/zinc/71/18/10/815711810.db2.gz ORGMIPDSCRQSOY-IJLUTSLNSA-N 2 0 297.403 -0.685 20 0 CBADRP CC(=O)N1CCC[C@@H](N(C)C(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001161131088 815719149 /nfs/dbraw/zinc/71/91/49/815719149.db2.gz NQEXJPQYALGXKC-VXGBXAGGSA-N 2 0 270.377 -0.478 20 0 CBADRP CCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C1CN(C)C1 ZINC001161136900 815719163 /nfs/dbraw/zinc/71/91/63/815719163.db2.gz AAEHMBXDZLGDHY-GFCCVEGCSA-N 2 0 254.378 -0.524 20 0 CBADRP CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C1CN(C)C1 ZINC001161138148 815720894 /nfs/dbraw/zinc/72/08/94/815720894.db2.gz OBNKFTZLNUYUDF-NSHDSACASA-N 2 0 256.394 -0.005 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2[nH]ccc2C1 ZINC001161134798 815719197 /nfs/dbraw/zinc/71/91/97/815719197.db2.gz OJFZKLGCGFRYSV-CYBMUJFWSA-N 2 0 291.399 -0.350 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001161158156 815723254 /nfs/dbraw/zinc/72/32/54/815723254.db2.gz PWBNSRLBLCTYRE-GHMZBOCLSA-N 2 0 271.361 -0.146 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1Cc2ccnn2CC[C@@H]1CO ZINC001161170597 815724127 /nfs/dbraw/zinc/72/41/27/815724127.db2.gz KNUHUXHDQXSDNA-NEPJUHHUSA-N 2 0 281.360 -0.958 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]2C1 ZINC001161175431 815724520 /nfs/dbraw/zinc/72/45/20/815724520.db2.gz LWVVJMTWMXTEGI-MCIONIFRSA-N 3 0 292.427 -0.404 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)C[C@H]2C1 ZINC001161174716 815724545 /nfs/dbraw/zinc/72/45/45/815724545.db2.gz DAKOCCCANANCRC-FDYHWXHSSA-N 2 0 267.373 -0.633 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)C3(N)CC[NH2+]CC3)C[C@H]2C1 ZINC001161175975 815724658 /nfs/dbraw/zinc/72/46/58/815724658.db2.gz QLZJOYLSSHOGJH-CHWSQXEVSA-N 2 0 280.416 -0.133 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@H]2C1 ZINC001161175279 815725068 /nfs/dbraw/zinc/72/50/68/815725068.db2.gz KEWCUYOHSACMRZ-FRRDWIJNSA-N 3 0 268.405 -0.147 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)C[C@H]2C1 ZINC001161174718 815725108 /nfs/dbraw/zinc/72/51/08/815725108.db2.gz DAKOCCCANANCRC-XQHKEYJVSA-N 2 0 267.373 -0.633 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH2+]CCN3)C[C@H]2C1 ZINC001161176021 815725170 /nfs/dbraw/zinc/72/51/70/815725170.db2.gz QULZIFOLUOLTAQ-XQQFMLRXSA-N 2 0 266.389 -0.652 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001161231940 815729797 /nfs/dbraw/zinc/72/97/97/815729797.db2.gz UMSJZCSPQLDGLD-GVXVVHGQSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@H](C)C(=O)NC ZINC001161226978 815729813 /nfs/dbraw/zinc/72/98/13/815729813.db2.gz SBQTWDYSYWYOKB-LLVKDONJSA-N 2 0 286.420 -0.053 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]C[C@H](O)COC ZINC001161226641 815730089 /nfs/dbraw/zinc/73/00/89/815730089.db2.gz MELJXUUZCSUTAJ-LBPRGKRZSA-N 2 0 289.420 -0.180 20 0 CBADRP C[C@H]1CN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)C[C@H](C)[NH2+]1 ZINC001161229868 815730610 /nfs/dbraw/zinc/73/06/10/815730610.db2.gz YMABUVUYSPENTH-SRVKXCTJSA-N 2 0 282.388 -0.465 20 0 CBADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001161231654 815730821 /nfs/dbraw/zinc/73/08/21/815730821.db2.gz NGVNSPLZXCLLBR-XPXLGCRWSA-N 2 0 269.345 -0.654 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC001161234713 815730928 /nfs/dbraw/zinc/73/09/28/815730928.db2.gz GRMPXIGNRDCQJA-WDEREUQCSA-N 2 0 266.349 -0.492 20 0 CBADRP [NH3+]C[C@@]1(F)CCN(C(=O)[C@@H]([NH3+])C2CCC(O)CC2)C1 ZINC001161246943 815733529 /nfs/dbraw/zinc/73/35/29/815733529.db2.gz SSGAYXVMNKFFAJ-GVAFYICXSA-N 2 0 273.352 -0.236 20 0 CBADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001161239280 815734063 /nfs/dbraw/zinc/73/40/63/815734063.db2.gz IUBKXGCBNYYNMI-WCQYABFASA-N 3 0 284.379 -0.240 20 0 CBADRP [NH3+]C[C@@]1(F)CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001161239278 815734117 /nfs/dbraw/zinc/73/41/17/815734117.db2.gz IUBKXGCBNYYNMI-AAEUAGOBSA-N 3 0 284.379 -0.240 20 0 CBADRP [NH3+]C[C@@]1(F)CCN(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001161239607 815734197 /nfs/dbraw/zinc/73/41/97/815734197.db2.gz NJRUWYNTUAAFIJ-ONGXEEELSA-N 2 0 255.297 -0.821 20 0 CBADRP [NH3+]C[C@@]1(F)CCN(C(=O)CNC2CC[NH2+]CC2)C1 ZINC001161239623 815734287 /nfs/dbraw/zinc/73/42/87/815734287.db2.gz NVOWPUAOOMSDPH-LBPRGKRZSA-N 2 0 258.341 -0.773 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC(N2CCCOC2=O)CC1 ZINC001161264512 815735348 /nfs/dbraw/zinc/73/53/48/815735348.db2.gz OKXJPGATXJXZKE-LBPRGKRZSA-N 2 0 298.387 -0.114 20 0 CBADRP CNC(=O)NC1CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001161268424 815735732 /nfs/dbraw/zinc/73/57/32/815735732.db2.gz IINUJYGGPORZTQ-LBPRGKRZSA-N 2 0 297.403 -0.767 20 0 CBADRP Cc1c[nH+]ccc1N1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001161306688 815738032 /nfs/dbraw/zinc/73/80/32/815738032.db2.gz WALSDLQOPJMQGX-JSGCOSHPSA-N 2 0 290.367 -0.381 20 0 CBADRP CCN(C(=O)C[C@H]1C[NH2+]CCO1)[C@H]1CCC[NH2+]C1 ZINC001161329340 815741174 /nfs/dbraw/zinc/74/11/74/815741174.db2.gz APOSSECGMOJEOC-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP CCN(C(=O)[C@@H]([NH3+])CCC(=O)OC)[C@@H]1CCC[NH2+]C1 ZINC001161332419 815741208 /nfs/dbraw/zinc/74/12/08/815741208.db2.gz MYLWTJCQQRCDTG-MNOVXSKESA-N 2 0 271.361 -0.133 20 0 CBADRP CCN(C(=O)[C@]12C[NH2+]C[C@H]1CCN2)[C@@H]1CCC[NH2+]C1 ZINC001161331667 815741293 /nfs/dbraw/zinc/74/12/93/815741293.db2.gz FVQRBKQIXWUQJN-BZPMIXESSA-N 2 0 266.389 -0.462 20 0 CBADRP CCN(C(=O)CNC1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001161333626 815742677 /nfs/dbraw/zinc/74/26/77/815742677.db2.gz VKWANRLMANTJTE-ZDUSSCGKSA-N 2 0 268.405 -0.072 20 0 CBADRP CCN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)[C@@H]1CCC[NH2+]C1 ZINC001161333605 815742937 /nfs/dbraw/zinc/74/29/37/815742937.db2.gz VIPCCAQDXKXNTG-MNOVXSKESA-N 2 0 285.392 -0.637 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161388724 815750464 /nfs/dbraw/zinc/75/04/64/815750464.db2.gz KVNFAKGBEXICAU-KBPBESRZSA-N 2 0 297.399 -0.312 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161388835 815750566 /nfs/dbraw/zinc/75/05/66/815750566.db2.gz KVNFAKGBEXICAU-ZIAGYGMSSA-N 2 0 297.399 -0.312 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412773 815751060 /nfs/dbraw/zinc/75/10/60/815751060.db2.gz MLCYJFGIGOHNIO-YFKTTZPYSA-N 3 0 254.378 -0.362 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161413861 815751525 /nfs/dbraw/zinc/75/15/25/815751525.db2.gz RLYPXAAPMHWMRJ-HNRZYHPDSA-N 2 0 296.415 -0.328 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161413035 815752018 /nfs/dbraw/zinc/75/20/18/815752018.db2.gz NRBIOUBTNXPCLO-QCNOEVLYSA-N 2 0 280.372 -0.868 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161414460 815753048 /nfs/dbraw/zinc/75/30/48/815753048.db2.gz XCSUHAPZMXZPOV-NAKRPEOUSA-N 3 0 272.418 -0.799 20 0 CBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CC[NH2+]C[C@H]4O3)C[C@@H]12 ZINC001161414692 815753422 /nfs/dbraw/zinc/75/34/22/815753422.db2.gz YPIXQTZWGSOVAD-DHRKEOQWSA-N 2 0 279.384 -0.051 20 0 CBADRP O=C([C@H]1CO[C@@]2(C1)CCC[NH2+]CC2)N1CC[NH2+]C1 ZINC001161416928 815754514 /nfs/dbraw/zinc/75/45/14/815754514.db2.gz NCBZCLTWVUAMKU-YPMHNXCESA-N 2 0 253.346 -0.076 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161420292 815754726 /nfs/dbraw/zinc/75/47/26/815754726.db2.gz FRVRELWOQBKRPW-PWSUYJOCSA-N 2 0 263.345 -0.794 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@]1(N)CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001161444223 815755404 /nfs/dbraw/zinc/75/54/04/815755404.db2.gz FSQRXLTUQQMIEB-DZGCQCFKSA-N 3 0 297.447 -0.791 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@H]1CSCN1)[C@H]1CCC[NH2+]C1 ZINC001161442528 815755849 /nfs/dbraw/zinc/75/58/49/815755849.db2.gz CMFSJGGSDAMBAW-RYUDHWBXSA-N 2 0 286.445 -0.209 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@H]1CC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161443358 815755922 /nfs/dbraw/zinc/75/59/22/815755922.db2.gz QQWHYFACEYCHBM-RYUDHWBXSA-N 3 0 254.378 -0.510 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@H]1NCCS1)[C@@H]1CCC[NH2+]C1 ZINC001161444218 815756057 /nfs/dbraw/zinc/75/60/57/815756057.db2.gz FNXUPDWUSMPDQA-VXGBXAGGSA-N 2 0 286.445 -0.209 20 0 CBADRP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C[C@@H]1C ZINC001161459777 815757718 /nfs/dbraw/zinc/75/77/18/815757718.db2.gz VDMKGHTXFSCEKF-DCAQKATOSA-N 2 0 281.356 -0.937 20 0 CBADRP CN1C(=O)CC[C@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC[C@@H]21 ZINC001161481184 815758415 /nfs/dbraw/zinc/75/84/15/815758415.db2.gz CTQZLYZGZYZODZ-AVGNSLFASA-N 2 0 296.415 -0.088 20 0 CBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)C1CC[NH2+]CC1)CC2 ZINC001161476550 815758690 /nfs/dbraw/zinc/75/86/90/815758690.db2.gz DGTQQJXMCWZQOB-SWLSCSKDSA-N 2 0 295.383 -0.260 20 0 CBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)C1([NH3+])CC1)CC2 ZINC001161481917 815759076 /nfs/dbraw/zinc/75/90/76/815759076.db2.gz ZLWLOJRDTQQMBP-JOYOIKCWSA-N 2 0 267.329 -0.769 20 0 CBADRP C[C@@]1(C[NH3+])CCCN(C(=O)C2(N)CC[NH2+]CC2)C1 ZINC001161488746 815759556 /nfs/dbraw/zinc/75/95/56/815759556.db2.gz FVQBKPLGPUVOBK-LBPRGKRZSA-N 2 0 254.378 -0.345 20 0 CBADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1 ZINC001161489423 815759711 /nfs/dbraw/zinc/75/97/11/815759711.db2.gz MUJFAYUQOSAQPP-OXHZDVMGSA-N 2 0 266.389 -0.204 20 0 CBADRP C[C@]1(C[NH3+])CCCN(C(=O)C2(N)CC[NH2+]CC2)C1 ZINC001161488745 815759783 /nfs/dbraw/zinc/75/97/83/815759783.db2.gz FVQBKPLGPUVOBK-GFCCVEGCSA-N 2 0 254.378 -0.345 20 0 CBADRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161489489 815761092 /nfs/dbraw/zinc/76/10/92/815761092.db2.gz UAIWLLARHKGPCO-HIFRSBDPSA-N 3 0 297.447 -0.676 20 0 CBADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001161490334 815761773 /nfs/dbraw/zinc/76/17/73/815761773.db2.gz YUBQFDLBWQTMDC-BNOWGMLFSA-N 2 0 266.389 -0.475 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C[C@@H]1[NH3+] ZINC001161492710 815762024 /nfs/dbraw/zinc/76/20/24/815762024.db2.gz WACYPQGNZWBRTC-RFQIPJPRSA-N 2 0 296.415 -0.755 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001161492334 815762036 /nfs/dbraw/zinc/76/20/36/815762036.db2.gz NZLLKMYSEXLVQB-XQQFMLRXSA-N 2 0 297.399 -0.281 20 0 CBADRP C[N@H+](C1CN(C(=O)C2CC3(C[NH2+]C3)C2)C1)[C@H]1CCOC1 ZINC001161499420 815762432 /nfs/dbraw/zinc/76/24/32/815762432.db2.gz OFZVYVGLOQZCHX-LBPRGKRZSA-N 2 0 279.384 -0.083 20 0 CBADRP [NH3+][C@@H](Cc1ccsc1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161500227 815763257 /nfs/dbraw/zinc/76/32/57/815763257.db2.gz LLAMSZOIDQBTMP-WDEREUQCSA-N 2 0 281.381 -0.196 20 0 CBADRP C[N@H+](C1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C1)[C@H]1CCOC1 ZINC001161498049 815763277 /nfs/dbraw/zinc/76/32/77/815763277.db2.gz GWSYSOGPHVSIBE-AAEUAGOBSA-N 3 0 284.404 -0.626 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC(C(F)F)C1 ZINC001161500712 815763404 /nfs/dbraw/zinc/76/34/04/815763404.db2.gz YUFWFKQHNYDHJR-ZETCQYMHSA-N 2 0 253.318 -0.271 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC12COC2 ZINC001161510820 815764808 /nfs/dbraw/zinc/76/48/08/815764808.db2.gz SATQQKRCRWGSQE-KBPBESRZSA-N 2 0 287.363 -0.113 20 0 CBADRP [NH3+][C@H](Cc1ccccc1F)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161509356 815765001 /nfs/dbraw/zinc/76/50/01/815765001.db2.gz JEVBVSNXSVPAMY-CHWSQXEVSA-N 2 0 293.342 -0.118 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)CC2CC[NH2+]CC2)CC12COC2 ZINC001161501396 815765015 /nfs/dbraw/zinc/76/50/15/815765015.db2.gz XAZNPTOYUPTMLL-LLVKDONJSA-N 2 0 253.346 -0.438 20 0 CBADRP [NH3+][C@H]1CN(C(=O)C[C@H]2CCC[NH2+]C2)CC12COC2 ZINC001161509811 815765049 /nfs/dbraw/zinc/76/50/49/815765049.db2.gz LAXYNRUVFJUPBK-MNOVXSKESA-N 2 0 253.346 -0.438 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2C[C@H]([NH3+])C3(COC3)C2)C1 ZINC001161511066 815765054 /nfs/dbraw/zinc/76/50/54/815765054.db2.gz VWWVSRSFIPUQBK-VWYCJHECSA-N 2 0 253.346 -0.439 20 0 CBADRP N[C@H](C[NH3+])c1ccc(C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)cc1 ZINC001161507277 815765304 /nfs/dbraw/zinc/76/53/04/815765304.db2.gz RTSILXDTIOTKRU-CHWSQXEVSA-N 2 0 290.367 -0.555 20 0 CBADRP Cc1nc2c(o1)CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C2 ZINC001161522531 815766473 /nfs/dbraw/zinc/76/64/73/815766473.db2.gz DLNQEZULSBCFNG-VIFPVBQESA-N 2 0 252.318 -0.066 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC2(C1)C[NH+](C)C2 ZINC001161531858 815767968 /nfs/dbraw/zinc/76/79/68/815767968.db2.gz KTRWCVVVYQOTOZ-NSHDSACASA-N 2 0 263.345 -0.936 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001161530120 815768109 /nfs/dbraw/zinc/76/81/09/815768109.db2.gz SMUQYHFZEQLIOW-USWWRNFRSA-N 2 0 270.377 -0.432 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001161530436 815768170 /nfs/dbraw/zinc/76/81/70/815768170.db2.gz ZQFDKKSDWBKYQE-WOPDTQHZSA-N 3 0 256.394 -0.006 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CC2(C1)C[NH+](C)C2 ZINC001161531517 815768504 /nfs/dbraw/zinc/76/85/04/815768504.db2.gz GVHTVTPWAMKXMR-LBPRGKRZSA-N 3 0 268.405 -0.180 20 0 CBADRP O=C([C@H]1CO[C@@H]2C[NH2+]C[C@H]12)N1CC[NH2+]C2(CC2)C1 ZINC001161545164 815769180 /nfs/dbraw/zinc/76/91/80/815769180.db2.gz OKFDGJFFMCDKTB-OUAUKWLOSA-N 2 0 251.330 -0.815 20 0 CBADRP O=C(C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)N1CC[NH2+]C2(CC2)C1 ZINC001161544582 815769731 /nfs/dbraw/zinc/76/97/31/815769731.db2.gz ARYRMANPMJZONU-QJPTWQEYSA-N 2 0 265.357 -0.282 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161545749 815770072 /nfs/dbraw/zinc/77/00/72/815770072.db2.gz ZERIKXASFMTMMI-SECBINFHSA-N 2 0 255.318 -0.769 20 0 CBADRP O=C([C@H]1C[NH2+]CC12CCOCC2)N1CC[NH2+]C2(CC2)C1 ZINC001161544892 815770203 /nfs/dbraw/zinc/77/02/03/815770203.db2.gz IGYNOZNOTSLKSV-GFCCVEGCSA-N 2 0 279.384 -0.033 20 0 CBADRP CO[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[NH2+]C3(CC3)C2)C1 ZINC001161550458 815770631 /nfs/dbraw/zinc/77/06/31/815770631.db2.gz JFLWKCZXLQSVOB-GHMZBOCLSA-N 2 0 253.346 -0.282 20 0 CBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550894 815771228 /nfs/dbraw/zinc/77/12/28/815771228.db2.gz TUNHQKBJMJBYCE-LBPRGKRZSA-N 2 0 282.388 -0.416 20 0 CBADRP COCCOC1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001161572783 815773035 /nfs/dbraw/zinc/77/30/35/815773035.db2.gz YFKAUIJAXWNQNG-ZDUSSCGKSA-N 2 0 297.399 -0.266 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001161649396 815776042 /nfs/dbraw/zinc/77/60/42/815776042.db2.gz GAHIDZCZTMHZTF-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP CN(C)C(=O)C[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161789631 815787857 /nfs/dbraw/zinc/78/78/57/815787857.db2.gz SOOBTBNABZVKIO-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP Cc1cc(N(CC[NH3+])S(C)(=O)=O)nc2c1C[NH2+]CC2 ZINC001162124803 815803981 /nfs/dbraw/zinc/80/39/81/815803981.db2.gz QHTLKHSSXDWVFJ-UHFFFAOYSA-N 2 0 284.385 -0.240 20 0 CBADRP C[NH+]1CCN(c2cc(-n3cnc(C[NH3+])c3)ncn2)CC1 ZINC001162296821 815811315 /nfs/dbraw/zinc/81/13/15/815811315.db2.gz NLVRBFBYHYZVAC-UHFFFAOYSA-N 2 0 273.344 -0.127 20 0 CBADRP F[C@@H]1C[NH2+][C@H](CNc2ccnc(N3CC[NH2+]CC3)n2)C1 ZINC001162472956 815831511 /nfs/dbraw/zinc/83/15/11/815831511.db2.gz VHUPTHCLFZCSSG-QWRGUYRKSA-N 2 0 280.351 -0.002 20 0 CBADRP [NH3+]Cc1ccnn1-c1ccnc(N2CC[NH2+]CC2)n1 ZINC001162586404 815834867 /nfs/dbraw/zinc/83/48/67/815834867.db2.gz VVPRGNVSOUPIGT-UHFFFAOYSA-N 2 0 259.317 -0.469 20 0 CBADRP C[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872642 815847682 /nfs/dbraw/zinc/84/76/82/815847682.db2.gz ZCKDZTRRFPURKS-UQJCBBSYSA-N 2 0 297.399 -0.674 20 0 CBADRP C[C@H]1CN(c2ccc(N[C@@H]3COC[C@@H]3[NH3+])nn2)CC[NH2+]1 ZINC001162917301 815848274 /nfs/dbraw/zinc/84/82/74/815848274.db2.gz MDTMFJCVIVENDX-GARJFASQSA-N 2 0 278.360 -0.587 20 0 CBADRP c1nc(O[C@@H]2CC[NH2+]C2)ncc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163141662 815861059 /nfs/dbraw/zinc/86/10/59/815861059.db2.gz QZKLWCPQOXBQCT-FDYHWXHSSA-N 2 0 291.355 -0.384 20 0 CBADRP C[NH2+]Cc1cc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)ncn1 ZINC001163234897 815866022 /nfs/dbraw/zinc/86/60/22/815866022.db2.gz CHTKOVVTHCIQCI-JOYOIKCWSA-N 2 0 262.317 -0.814 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C(N)=O ZINC001163231603 815866350 /nfs/dbraw/zinc/86/63/50/815866350.db2.gz FXUBATMHXRMZEP-DGCLKSJQSA-N 2 0 296.415 -0.170 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ncnc3c2C[NH2+]CC3)N1 ZINC001163239535 815870551 /nfs/dbraw/zinc/87/05/51/815870551.db2.gz QWUVSNHLBFKJTG-GXFFZTMASA-N 2 0 274.328 -0.888 20 0 CBADRP C[NH+](C)C1(CC(=O)NCCC[NH2+]CC(N)=O)CCCC1 ZINC001163291104 815877131 /nfs/dbraw/zinc/87/71/31/815877131.db2.gz YUFKKLQSBSZPIE-UHFFFAOYSA-N 2 0 284.404 -0.168 20 0 CBADRP c1nc(O[C@H]2CC[NH2+]C2)ncc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163342292 815879344 /nfs/dbraw/zinc/87/93/44/815879344.db2.gz GONNMDRDRLIKGA-RNJOBUHISA-N 2 0 291.355 -0.242 20 0 CBADRP Cc1nnc(C[NH3+])n1-c1ncc(C)c(C2C[NH2+]C2)n1 ZINC001163354027 815881516 /nfs/dbraw/zinc/88/15/16/815881516.db2.gz URUKOUJIKFDDDQ-UHFFFAOYSA-N 2 0 259.317 -0.180 20 0 CBADRP CCOC(=O)c1cn(-c2cc(C[NH3+])ncn2)nc1C[NH3+] ZINC001163520696 815888402 /nfs/dbraw/zinc/88/84/02/815888402.db2.gz PXTOZQCIEJNSIN-UHFFFAOYSA-N 2 0 276.300 -0.244 20 0 CBADRP C[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)[NH+](C)C ZINC001292392499 816443913 /nfs/dbraw/zinc/44/39/13/816443913.db2.gz VBIANGMIAILXQU-IJLUTSLNSA-N 2 0 257.378 -0.102 20 0 CBADRP Cc1nc[nH]c1CC(=O)NCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001292586053 816469526 /nfs/dbraw/zinc/46/95/26/816469526.db2.gz IMWBSBDEQYVASK-LBPRGKRZSA-N 2 0 293.371 -0.413 20 0 CBADRP C[NH+](C)CCC(=O)NCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001292947707 816492787 /nfs/dbraw/zinc/49/27/87/816492787.db2.gz WXQRGGUJBOQXOI-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CN(CCCNC(=O)CC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001294291260 816538707 /nfs/dbraw/zinc/53/87/07/816538707.db2.gz CCJZDEZFTSCPLQ-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+](C)CCC(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001298412545 816681248 /nfs/dbraw/zinc/68/12/48/816681248.db2.gz HHWQBPVUOBOIKL-DSYXLKISSA-N 2 0 296.415 -0.322 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)CCO)CC[N@@H+]1C ZINC001316823560 816883090 /nfs/dbraw/zinc/88/30/90/816883090.db2.gz FQZWYOXRBBMDRK-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP CNC(=O)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001316845741 816890754 /nfs/dbraw/zinc/89/07/54/816890754.db2.gz UAYHNYIRTOKJIA-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)[C@H]1CCCNC1=O ZINC001316865684 816894172 /nfs/dbraw/zinc/89/41/72/816894172.db2.gz PSYFXJWJHGEJFD-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)N1CCC1 ZINC001316865741 816895242 /nfs/dbraw/zinc/89/52/42/816895242.db2.gz RJWKMKSUADJNPZ-ZDUSSCGKSA-N 2 0 296.415 -0.392 20 0 CBADRP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CC(N)=O ZINC001316886690 816898569 /nfs/dbraw/zinc/89/85/69/816898569.db2.gz HQKOXAIAUCMDJB-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOCCO)C1 ZINC001317115163 816934455 /nfs/dbraw/zinc/93/44/55/816934455.db2.gz LFFCTFLANZJADT-MJBXVCDLSA-N 2 0 299.415 -0.284 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](C[NH2+]CCO)C2)C1 ZINC001317161153 816937276 /nfs/dbraw/zinc/93/72/76/816937276.db2.gz AIAZCGSPTCEJOO-STQMWFEESA-N 2 0 269.389 -0.241 20 0 CBADRP C[C@H](O)C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001317244935 816949161 /nfs/dbraw/zinc/94/91/61/816949161.db2.gz FPVWOSANNYLWPZ-QWRGUYRKSA-N 2 0 257.378 -0.054 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001317281515 816958231 /nfs/dbraw/zinc/95/82/31/816958231.db2.gz DFIJAUWGJUCXTF-WDEREUQCSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@@H](O)C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001317450800 816984157 /nfs/dbraw/zinc/98/41/57/816984157.db2.gz IMDXKGUETYEZTB-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP CN(CC[NH2+]CCO)C(=O)C12CCC[NH+](CCC1)C2 ZINC001317598684 817025770 /nfs/dbraw/zinc/02/57/70/817025770.db2.gz KIRHBHNDZHPOCI-UHFFFAOYSA-N 2 0 269.389 -0.097 20 0 CBADRP CN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001317598934 817026537 /nfs/dbraw/zinc/02/65/37/817026537.db2.gz MQGHKQQMRRKTDN-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317660423 817043103 /nfs/dbraw/zinc/04/31/03/817043103.db2.gz CTIFVCPSRLLQPL-CYBMUJFWSA-N 2 0 298.431 -0.242 20 0 CBADRP CC1CC[NH+](CC(=O)NCC2C[NH+](CCO)C2)CC1 ZINC001318164628 817083130 /nfs/dbraw/zinc/08/31/30/817083130.db2.gz NUOBWEIFSVHIKV-UHFFFAOYSA-N 2 0 269.389 -0.241 20 0 CBADRP CN(C(=O)C1([NH+](C)C)CCC1)[C@H]1CC[N@H+](CCO)C1 ZINC001318407844 817106513 /nfs/dbraw/zinc/10/65/13/817106513.db2.gz UIMRFUNHXVJLEB-LBPRGKRZSA-N 2 0 269.389 -0.004 20 0 CBADRP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CCOCCO)C1 ZINC001318422689 817108853 /nfs/dbraw/zinc/10/88/53/817108853.db2.gz AGCJZOMDPPDRGN-ZDUSSCGKSA-N 2 0 287.404 -0.520 20 0 CBADRP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CCO)C1)[NH+](C)C ZINC001318443118 817109934 /nfs/dbraw/zinc/10/99/34/817109934.db2.gz RNZABSXHCOJKTL-VXGBXAGGSA-N 2 0 257.378 -0.148 20 0 CBADRP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001318507316 817117488 /nfs/dbraw/zinc/11/74/88/817117488.db2.gz QNCUUILDYVTJML-NXEZZACHSA-N 2 0 256.350 -0.950 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]CCO ZINC001319190040 817174788 /nfs/dbraw/zinc/17/47/88/817174788.db2.gz RPKSZXKTHGTEHS-YPMHNXCESA-N 2 0 269.389 -0.338 20 0 CBADRP C[NH+](C)CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001319252416 817181967 /nfs/dbraw/zinc/18/19/67/817181967.db2.gz RFEMXFYVFUDHGJ-UHFFFAOYSA-N 2 0 296.375 -0.939 20 0 CBADRP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCO ZINC001319956963 817260131 /nfs/dbraw/zinc/26/01/31/817260131.db2.gz HAYIPCDGOIDZRT-VXGBXAGGSA-N 2 0 257.378 -0.339 20 0 CBADRP CC(C)[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001320270200 817309732 /nfs/dbraw/zinc/30/97/32/817309732.db2.gz KDNCALOFNMQJLY-GFCCVEGCSA-N 2 0 257.378 -0.197 20 0 CBADRP CCC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001320311445 817319299 /nfs/dbraw/zinc/31/92/99/817319299.db2.gz CEHGFLOAYSOSCN-STQMWFEESA-N 2 0 287.404 -0.569 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001320609905 817362174 /nfs/dbraw/zinc/36/21/74/817362174.db2.gz YJXFECYEAALQGB-GHMZBOCLSA-N 2 0 297.407 -0.465 20 0 CBADRP CCN(CC[NH2+]CC(=O)NC)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001320738479 817384109 /nfs/dbraw/zinc/38/41/09/817384109.db2.gz WIJTWUSZTRATHL-CYBMUJFWSA-N 2 0 296.415 -0.488 20 0 CBADRP CN1CC[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001320999915 817425585 /nfs/dbraw/zinc/42/55/85/817425585.db2.gz WAWPHQPNJLREKR-LDIIPZEWSA-N 2 0 294.399 -0.427 20 0 CBADRP COC[C@@H](O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001321190051 817457211 /nfs/dbraw/zinc/45/72/11/817457211.db2.gz SHNAITXHVAHORQ-RSNNXLNZSA-N 2 0 285.388 -0.650 20 0 CBADRP COC[C@H](O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001321190047 817457557 /nfs/dbraw/zinc/45/75/57/817457557.db2.gz SHNAITXHVAHORQ-FGTRRKKMSA-N 2 0 285.388 -0.650 20 0 CBADRP CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001321336911 817483763 /nfs/dbraw/zinc/48/37/63/817483763.db2.gz NPFKIQKHLASGDJ-KTRBRXNASA-N 2 0 294.403 -0.083 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC/C=C/C[NH2+]CC(N)=O)C1 ZINC001321334725 817484012 /nfs/dbraw/zinc/48/40/12/817484012.db2.gz DDFCYXQCZKFZBJ-HORCIZIBSA-N 2 0 296.415 -0.146 20 0 CBADRP CC[C@H](C(=O)NC/C=C\C[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C ZINC001321337574 817484293 /nfs/dbraw/zinc/48/42/93/817484293.db2.gz PCYYEKQHXHTLAG-ASOISWSRSA-N 2 0 296.415 -0.181 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001321334687 817484485 /nfs/dbraw/zinc/48/44/85/817484485.db2.gz CJQGUWANEGQZOQ-AIMRDXAKSA-N 2 0 296.415 -0.275 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C[C@@H]1CCCC(=O)N1 ZINC001253412417 825914707 /nfs/dbraw/zinc/91/47/07/825914707.db2.gz HGJGLFCTGVPTDT-QWRGUYRKSA-N 2 0 257.378 -0.006 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CCO)CC1 ZINC001163822045 819854150 /nfs/dbraw/zinc/85/41/50/819854150.db2.gz RGLRTJRCRPGRPH-GFCCVEGCSA-N 2 0 269.389 -0.051 20 0 CBADRP [NH3+]CCN(CCO)c1ccc2c(C3C[NH2+]C3)ncn2c1 ZINC001163832364 819855314 /nfs/dbraw/zinc/85/53/14/819855314.db2.gz OYYVSDRJRPTCLS-UHFFFAOYSA-N 2 0 275.356 -0.222 20 0 CBADRP Cc1cc(N(C)S(=O)(=O)CC[NH3+])nc2c1C[NH2+]CC2 ZINC001164288556 819900364 /nfs/dbraw/zinc/90/03/64/819900364.db2.gz QOTWAVMUXZXMRH-UHFFFAOYSA-N 2 0 284.385 -0.240 20 0 CBADRP [NH3+]CCONc1ccc(O[C@@H]2CCC[NH2+]C2)nn1 ZINC001164415196 819912300 /nfs/dbraw/zinc/91/23/00/819912300.db2.gz QNXXPMRVESWMKW-SECBINFHSA-N 2 0 253.306 -0.090 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001164449277 819914092 /nfs/dbraw/zinc/91/40/92/819914092.db2.gz GRERAWLABSVKTQ-LBPRGKRZSA-N 2 0 284.404 -0.310 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164574397 819931134 /nfs/dbraw/zinc/93/11/34/819931134.db2.gz KCBQWHFYFMVVNH-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]CC(=O)N(C)C)CC[N@@H+]1C ZINC001164574637 819931551 /nfs/dbraw/zinc/93/15/51/819931551.db2.gz UMMNENYWLGTAHU-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164574412 819931881 /nfs/dbraw/zinc/93/18/81/819931881.db2.gz KOQNRVGXHYDDDI-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+]1CCN(c2ccc(N3CCO[C@H](C[NH3+])C3)nn2)CC1 ZINC001165122084 819939518 /nfs/dbraw/zinc/93/95/18/819939518.db2.gz UQQUXBZZYXNTHY-GFCCVEGCSA-N 2 0 292.387 -0.608 20 0 CBADRP C[NH+]1CCN(c2ccc(N3C[C@@H]4[NH2+]C[C@H]4C3)nn2)CC1 ZINC001165194758 819943081 /nfs/dbraw/zinc/94/30/81/819943081.db2.gz NMZCEQDEIWWUOT-RYUDHWBXSA-N 2 0 274.372 -0.364 20 0 CBADRP c1nn(-c2ncnc3c2CC[NH2+]C3)c2c1C[NH2+]CC2 ZINC001165219393 819943527 /nfs/dbraw/zinc/94/35/27/819943527.db2.gz YQWLNHNSRMMYQC-UHFFFAOYSA-N 2 0 256.313 -0.046 20 0 CBADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CCOCCO)CC1 ZINC001165261514 819944904 /nfs/dbraw/zinc/94/49/04/819944904.db2.gz AGRSTWBAAOCJKA-UHFFFAOYSA-N 2 0 287.404 -0.567 20 0 CBADRP c1cc(N2CCOCC23C[NH2+]C3)ncc1N1CC[NH2+]CC1 ZINC001165289158 819948993 /nfs/dbraw/zinc/94/89/93/819948993.db2.gz YSNZHMDREAORIO-UHFFFAOYSA-N 2 0 289.383 -0.330 20 0 CBADRP c1nc2c(c(N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)n1)CC[NH2+]C2 ZINC001165288836 819949521 /nfs/dbraw/zinc/94/95/21/819949521.db2.gz UDNLOFNSMZNACZ-BXUZGUMPSA-N 2 0 289.383 -0.063 20 0 CBADRP [NH3+]Cc1cc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)ncn1 ZINC001165343504 819955763 /nfs/dbraw/zinc/95/57/63/819955763.db2.gz FYIRVRZFAYHAJV-CQSZACIVSA-N 2 0 293.371 -0.479 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001165361058 819956626 /nfs/dbraw/zinc/95/66/26/819956626.db2.gz WFMYVOLIIOMFND-GFCCVEGCSA-N 2 0 286.420 -0.099 20 0 CBADRP C[NH+](C)CCCC(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001165367151 819958513 /nfs/dbraw/zinc/95/85/13/819958513.db2.gz ODANXUURFQBXLM-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP Cn1ncc(C[NH2+]CCCNC(=O)C2CC[NH+](C)CC2)n1 ZINC001165772465 819982485 /nfs/dbraw/zinc/98/24/85/819982485.db2.gz RHBHUODNEIJSMO-UHFFFAOYSA-N 2 0 294.403 -0.247 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001165794259 819983138 /nfs/dbraw/zinc/98/31/38/819983138.db2.gz PDRVDUFJPWHXKN-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165777774 819983446 /nfs/dbraw/zinc/98/34/46/819983446.db2.gz WPUBQIOKDHEILY-NSHDSACASA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[NH2+]CCOCCO ZINC001165780974 819983456 /nfs/dbraw/zinc/98/34/56/819983456.db2.gz ARSPSTGCXWZQFQ-UHFFFAOYSA-N 2 0 261.366 -0.957 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165788391 819983642 /nfs/dbraw/zinc/98/36/42/819983642.db2.gz IUVUJQNTENRVFN-LBPRGKRZSA-N 2 0 286.420 -0.051 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001165794025 819983736 /nfs/dbraw/zinc/98/37/36/819983736.db2.gz HVJFMZAXDUTNOJ-UHFFFAOYSA-N 2 0 279.406 -0.921 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[NH2+]CCn1cccn1 ZINC001165781614 819983783 /nfs/dbraw/zinc/98/37/83/819983783.db2.gz VXFYEINDJTWCOI-UHFFFAOYSA-N 2 0 267.377 -0.069 20 0 CBADRP CN(C)C(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165781317 819983846 /nfs/dbraw/zinc/98/38/46/819983846.db2.gz PGMSJDBDIWHGIT-UHFFFAOYSA-N 2 0 258.366 -0.878 20 0 CBADRP CN1CC[C@@H]([NH2+]CCCNC(=O)CC[NH+](C)C)C1=O ZINC001165781293 819984062 /nfs/dbraw/zinc/98/40/62/819984062.db2.gz OGGMRLRDSWEUBR-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP Cn1cc(C[NH2+]CCCNC(=O)CC[NH+](C)C)nn1 ZINC001165793802 819984073 /nfs/dbraw/zinc/98/40/73/819984073.db2.gz AROQDMKTCCKBHV-UHFFFAOYSA-N 2 0 268.365 -0.637 20 0 CBADRP Cn1ncc(C[NH2+]CCCNC(=O)CC[NH+](C)C)n1 ZINC001165781143 819984102 /nfs/dbraw/zinc/98/41/02/819984102.db2.gz IDCVZROWCBYBKD-UHFFFAOYSA-N 2 0 268.365 -0.637 20 0 CBADRP C[NH+]1CCC(C(=O)NCCC[NH2+]CCCO)CC1 ZINC001165777436 819984240 /nfs/dbraw/zinc/98/42/40/819984240.db2.gz SFNFEIQCVGRYCG-UHFFFAOYSA-N 2 0 257.378 -0.194 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[NH2+]CC(=O)NC(C)(C)C ZINC001165794414 819984256 /nfs/dbraw/zinc/98/42/56/819984256.db2.gz VKSHGILZYJLMJL-UHFFFAOYSA-N 2 0 286.420 -0.051 20 0 CBADRP CC(C)[C@H](C(=O)NCCC[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001166004224 819989032 /nfs/dbraw/zinc/98/90/32/819989032.db2.gz GOAQHLMOXRCWSO-GFCCVEGCSA-N 2 0 297.407 -0.608 20 0 CBADRP CC(C)[C@H](C(=O)NCCC[NH2+][C@H](C)C(N)=O)[NH+](C)C ZINC001166010636 819990533 /nfs/dbraw/zinc/99/05/33/819990533.db2.gz RELQQBQIUPKGSD-GHMZBOCLSA-N 2 0 272.393 -0.458 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001166633678 820008523 /nfs/dbraw/zinc/00/85/23/820008523.db2.gz JIYMUSPCSDDUFO-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CCCO ZINC001166626827 820008630 /nfs/dbraw/zinc/00/86/30/820008630.db2.gz KKMAENZLCWWQSB-LBPRGKRZSA-N 2 0 257.378 -0.051 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]Cc1nnnn1C ZINC001166633190 820008682 /nfs/dbraw/zinc/00/86/82/820008682.db2.gz BOGVMNSKWLCXAV-NSHDSACASA-N 2 0 295.391 -0.710 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001166627140 820009591 /nfs/dbraw/zinc/00/95/91/820009591.db2.gz QUCWUIWDEGIGNQ-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166627180 820010993 /nfs/dbraw/zinc/01/09/93/820010993.db2.gz RNHLNXKYTXYUTC-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166676642 820013985 /nfs/dbraw/zinc/01/39/85/820013985.db2.gz AGQGDUNJHJHZNT-NWDGAFQWSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001166677804 820014276 /nfs/dbraw/zinc/01/42/76/820014276.db2.gz NKESSIQMJYXAGQ-STQMWFEESA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001166677803 820015056 /nfs/dbraw/zinc/01/50/56/820015056.db2.gz NKESSIQMJYXAGQ-QWHCGFSZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001166694017 820015439 /nfs/dbraw/zinc/01/54/39/820015439.db2.gz UNHMXORFNSQKJM-DGCLKSJQSA-N 2 0 294.403 -0.391 20 0 CBADRP Cc1nnc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)[nH]1 ZINC001166692446 820016689 /nfs/dbraw/zinc/01/66/89/820016689.db2.gz PTSNWFMIACDFCT-PWSUYJOCSA-N 2 0 294.403 -0.093 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCn1cncn1 ZINC001166693485 820016851 /nfs/dbraw/zinc/01/68/51/820016851.db2.gz SPLMQEBUWJCRSZ-QWHCGFSZSA-N 2 0 294.403 -0.428 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166678460 820016964 /nfs/dbraw/zinc/01/69/64/820016964.db2.gz VOBFFLPUJUYUHJ-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1ncnn1C ZINC001166708443 820019871 /nfs/dbraw/zinc/01/98/71/820019871.db2.gz QPSPHJJGKGGXMY-RYUDHWBXSA-N 2 0 294.403 -0.391 20 0 CBADRP CNC(=O)C[NH2+]CC1(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001166883947 820041623 /nfs/dbraw/zinc/04/16/23/820041623.db2.gz ZTDGPDNLXQPPOF-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+]CCOCCO)[NH+](C)C ZINC001166851690 820041865 /nfs/dbraw/zinc/04/18/65/820041865.db2.gz DVOGJAYMAOEEIG-LBPRGKRZSA-N 2 0 275.393 -0.569 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C)C(N)=O ZINC001166852823 820042060 /nfs/dbraw/zinc/04/20/60/820042060.db2.gz XIIZBARFQYSZAW-QWRGUYRKSA-N 2 0 272.393 -0.314 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+]CCn1cncn1)[NH+](C)C ZINC001166852530 820042169 /nfs/dbraw/zinc/04/21/69/820042169.db2.gz SJRFRGAJFZMCDY-LBPRGKRZSA-N 2 0 282.392 -0.286 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+][C@H]1CCCNC1=O)[NH+](C)C ZINC001166858597 820043035 /nfs/dbraw/zinc/04/30/35/820043035.db2.gz WVELMQHRNAFUKX-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP [NH3+][C@@H]1CN(c2ccc(N3CC[NH2+]CC3)nn2)C[C@@H]1F ZINC001166928811 820046323 /nfs/dbraw/zinc/04/63/23/820046323.db2.gz RGUXFUWRLVAAEK-VHSXEESVSA-N 2 0 266.324 -0.628 20 0 CBADRP COC(=O)C1(Nc2cnc(C[NH3+])nc2)CC[NH2+]CC1 ZINC001166954158 820051841 /nfs/dbraw/zinc/05/18/41/820051841.db2.gz CHKYPJXJMIIGFY-UHFFFAOYSA-N 2 0 265.317 -0.358 20 0 CBADRP CS(=O)(=O)N(c1ccc2c(n1)CC[NH2+]C2)C1C[NH2+]C1 ZINC001166967640 820055493 /nfs/dbraw/zinc/05/54/93/820055493.db2.gz QURXBOFHHQIULP-UHFFFAOYSA-N 2 0 282.369 -0.535 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001167627187 820108223 /nfs/dbraw/zinc/10/82/23/820108223.db2.gz LFGMWRPXSUNHIM-LBPRGKRZSA-N 2 0 284.404 -0.170 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1-c1ncnc2c1C[N@H+](C)CC2 ZINC001167673528 820110173 /nfs/dbraw/zinc/11/01/73/820110173.db2.gz ZTYOQJUMPOVCNA-UHFFFAOYSA-N 2 0 285.355 -0.103 20 0 CBADRP [NH3+]CCc1nnn(-c2cccc(N3CC[NH2+]CC3)c2)n1 ZINC001167791805 820120702 /nfs/dbraw/zinc/12/07/02/820120702.db2.gz LEPUGYFDYICYEZ-UHFFFAOYSA-N 2 0 273.344 -0.427 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCCC2(C[NH2+]CCO)CC2)C1 ZINC001168146425 820145169 /nfs/dbraw/zinc/14/51/69/820145169.db2.gz HVSYGHKBWHBVJM-LBPRGKRZSA-N 2 0 269.389 -0.194 20 0 CBADRP NC(=[NH2+])c1nccn1-c1ccnc(N2CCC([NH3+])CC2)n1 ZINC001168409417 820160641 /nfs/dbraw/zinc/16/06/41/820160641.db2.gz BWMLLFPWZKGZKL-UHFFFAOYSA-N 2 0 286.343 -0.126 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001168755273 820175046 /nfs/dbraw/zinc/17/50/46/820175046.db2.gz LMVMBASDMXRYRR-LLVKDONJSA-N 2 0 298.387 -0.771 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001168756192 820176601 /nfs/dbraw/zinc/17/66/01/820176601.db2.gz WPGFVPJNLLEJJP-SNVBAGLBSA-N 2 0 258.366 -0.702 20 0 CBADRP COc1c(C2C[NH2+]C2)ncnc1-n1cc(CC[NH3+])cn1 ZINC001168946947 820194702 /nfs/dbraw/zinc/19/47/02/820194702.db2.gz SEDBTJHBQNCMCP-UHFFFAOYSA-N 2 0 274.328 -0.141 20 0 CBADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC1CN(S(C)(=O)=O)C1)C2 ZINC001169099356 820207567 /nfs/dbraw/zinc/20/75/67/820207567.db2.gz QNKLLKQXGZOQJC-WLLOZRIZSA-N 2 0 273.402 -0.155 20 0 CBADRP CC1CC[NH+](CC(=O)NCCC[NH2+]CC(=O)N(C)C)CC1 ZINC001169128058 820210475 /nfs/dbraw/zinc/21/04/75/820210475.db2.gz ZSGCGRPZINIXGV-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP [NH3+]Cc1cnnn1-c1ccc(O[C@@H]2CCC[NH2+]C2)nn1 ZINC001169311225 820226008 /nfs/dbraw/zinc/22/60/08/820226008.db2.gz SLLWSPBNJQHVRD-SNVBAGLBSA-N 2 0 275.316 -0.353 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H](C[NH3+])C(=O)OC)CO1 ZINC001169334486 820239324 /nfs/dbraw/zinc/23/93/24/820239324.db2.gz LGDRWCFWNRMPJH-MXWKQRLJSA-N 2 0 288.344 -0.565 20 0 CBADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H](C[NH3+])C(=O)OC ZINC001169435727 820245515 /nfs/dbraw/zinc/24/55/15/820245515.db2.gz SNIASBBEBTYPFA-MNOVXSKESA-N 2 0 273.377 -0.029 20 0 CBADRP CC(=O)N1CC[C@H]([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC001169492740 820248281 /nfs/dbraw/zinc/24/82/81/820248281.db2.gz BHRHWLFIUZZQPA-AWEZNQCLSA-N 2 0 268.405 -0.166 20 0 CBADRP CC(=O)N1CC[C@H]([NH2+]CCN2CC[NH+](C)CC2)C1 ZINC001169493459 820248462 /nfs/dbraw/zinc/24/84/62/820248462.db2.gz MTALCMNVQIFTMW-ZDUSSCGKSA-N 2 0 254.378 -0.556 20 0 CBADRP CC(=O)N1CC[C@H]([N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)C1 ZINC001169556166 820255835 /nfs/dbraw/zinc/25/58/35/820255835.db2.gz PUOQZSLTNYHXTK-AWEZNQCLSA-N 2 0 296.415 -0.297 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(C(C)=O)C1 ZINC001169596804 820259996 /nfs/dbraw/zinc/25/99/96/820259996.db2.gz KXOIDADHDAXPFQ-OLZOCXBDSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001170211501 820280913 /nfs/dbraw/zinc/28/09/13/820280913.db2.gz NZLKAGVMRNLKIR-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001170221520 820281646 /nfs/dbraw/zinc/28/16/46/820281646.db2.gz CHUQDXXEZLFIOL-UHFFFAOYSA-N 2 0 299.419 -0.551 20 0 CBADRP C[NH+]1CC(CNc2nccnc2N2CC[NH2+]CC2)C1 ZINC001170249512 820282097 /nfs/dbraw/zinc/28/20/97/820282097.db2.gz IYXUSWLCYYIHHP-UHFFFAOYSA-N 2 0 262.361 -0.140 20 0 CBADRP C[C@H]1[C@@H](O)CC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC001170323975 820288070 /nfs/dbraw/zinc/28/80/70/820288070.db2.gz JEGDFWROSHJLNE-JQWIXIFHSA-N 2 0 255.362 -0.348 20 0 CBADRP CN(CC[NH3+])CCNc1ccc(O[C@H]2CCC[NH2+]C2)nn1 ZINC001170499798 820295937 /nfs/dbraw/zinc/29/59/37/820295937.db2.gz VOQFVSUVESZPLS-LBPRGKRZSA-N 2 0 294.403 -0.090 20 0 CBADRP [NH3+]CCOCCOCCNc1cnc(C[NH3+])nc1 ZINC001170511710 820297599 /nfs/dbraw/zinc/29/75/99/820297599.db2.gz ZBXDVQUCBIYDQQ-UHFFFAOYSA-N 2 0 255.322 -0.661 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C1 ZINC001170523540 820298722 /nfs/dbraw/zinc/29/87/22/820298722.db2.gz GNECQWWEFRAGIV-ZJUUUORDSA-N 2 0 289.336 -0.534 20 0 CBADRP C[C@@H](Nc1ncc2c(n1)C[NH2+]CC2)[C@@H]1C[NH2+]CCO1 ZINC001170566155 820305855 /nfs/dbraw/zinc/30/58/55/820305855.db2.gz XIEVDCIJMRTKFB-SKDRFNHKSA-N 2 0 263.345 -0.089 20 0 CBADRP C[C@@H](Nc1nccc(C2C[NH2+]C2)n1)[C@@H]1C[NH2+]CCO1 ZINC001170574912 820309089 /nfs/dbraw/zinc/30/90/89/820309089.db2.gz XRWGVUHQFWNIMW-SKDRFNHKSA-N 2 0 263.345 -0.048 20 0 CBADRP C[C@@H]1CN(c2ccc(N[C@@H]3C[NH2+]C[C@@H]3CO)nn2)CC[NH2+]1 ZINC001170773194 820316154 /nfs/dbraw/zinc/31/61/54/820316154.db2.gz FURXBWMEWOPECS-IJLUTSLNSA-N 2 0 292.387 -0.733 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@H]1Nc1ncccc1N1CC[NH2+]CC1 ZINC001170772368 820316535 /nfs/dbraw/zinc/31/65/35/820316535.db2.gz CFHHNABWRKTDQQ-NWDGAFQWSA-N 2 0 277.372 -0.517 20 0 CBADRP CC[C@]([NH3+])(CO)Nc1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001170865245 820331583 /nfs/dbraw/zinc/33/15/83/820331583.db2.gz LDELOPRCELYJII-CMPLNLGQSA-N 2 0 267.333 -0.314 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1ccnc(N2CC[NH2+]CC2)n1 ZINC001170894113 820332485 /nfs/dbraw/zinc/33/24/85/820332485.db2.gz GZDWHBAREGQZMF-SNVBAGLBSA-N 3 0 265.365 -0.678 20 0 CBADRP COC(=O)c1cc(OC)nc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001170894841 820332994 /nfs/dbraw/zinc/33/29/94/820332994.db2.gz LYWOOSXMNRFELA-MRVPVSSYSA-N 2 0 269.305 -0.293 20 0 CBADRP COCCNC(=O)c1ccc(N[C@@H]([NH3+])CCC[NH3+])nc1 ZINC001170896558 820333817 /nfs/dbraw/zinc/33/38/17/820333817.db2.gz HBFCEHBHLDKOKY-LLVKDONJSA-N 2 0 281.360 -0.107 20 0 CBADRP CN1CCN(c2ncc(N[C@H]([NH3+])CCC[NH3+])cn2)CC1 ZINC001170900910 820334787 /nfs/dbraw/zinc/33/47/87/820334787.db2.gz ZLLKEQATNVFWIQ-LBPRGKRZSA-N 2 0 279.392 -0.336 20 0 CBADRP Cn1cncc1C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171205579 820348604 /nfs/dbraw/zinc/34/86/04/820348604.db2.gz UFXNYWUBTSXPQK-UHFFFAOYSA-N 2 0 297.403 -0.406 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171160214 820349603 /nfs/dbraw/zinc/34/96/03/820349603.db2.gz CQCUHABCIUOAAO-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171215359 820350339 /nfs/dbraw/zinc/35/03/39/820350339.db2.gz AZHUFWPTQZJOFV-LLVKDONJSA-N 2 0 270.377 -0.830 20 0 CBADRP CCCNC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171216402 820350534 /nfs/dbraw/zinc/35/05/34/820350534.db2.gz IAHVYMQIFMAHAW-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP C[C@H](O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171227294 820351130 /nfs/dbraw/zinc/35/11/30/820351130.db2.gz NIUHNJWMMIRZFW-NWDGAFQWSA-N 2 0 257.378 -0.195 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171227365 820351542 /nfs/dbraw/zinc/35/15/42/820351542.db2.gz OTAVWKCTRXTDGC-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171219497 820351609 /nfs/dbraw/zinc/35/16/09/820351609.db2.gz YACLNHPQDHHHEQ-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP Cn1cc(C[NH2+]CCCNC(=O)C[C@H]2CC[N@H+](C)C2)nn1 ZINC001171216399 820352029 /nfs/dbraw/zinc/35/20/29/820352029.db2.gz HYZRBYXGWCOPDM-GFCCVEGCSA-N 2 0 294.403 -0.247 20 0 CBADRP COCC[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171292928 820357694 /nfs/dbraw/zinc/35/76/94/820357694.db2.gz AFLZQLJETDARKL-UHFFFAOYSA-N 2 0 255.362 -0.176 20 0 CBADRP Cc1nnc(C[NH2+]CCCNC(=O)C23CC[NH+](CC2)C3)[nH]1 ZINC001171294159 820357729 /nfs/dbraw/zinc/35/77/29/820357729.db2.gz RAFWVZJLZPTGGH-UHFFFAOYSA-N 2 0 292.387 -0.195 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)CCCC[NH+](C)C)C(N)=O ZINC001171579382 820362051 /nfs/dbraw/zinc/36/20/51/820362051.db2.gz VVGPXPHWVDGANS-NSHDSACASA-N 2 0 272.393 -0.312 20 0 CBADRP C[NH+](C)CCCCC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001171579277 820362220 /nfs/dbraw/zinc/36/22/20/820362220.db2.gz SKRYEVJWLCMNMJ-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001171762750 820369007 /nfs/dbraw/zinc/36/90/07/820369007.db2.gz JJLINMHYTBHHFY-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001171763010 820369923 /nfs/dbraw/zinc/36/99/23/820369923.db2.gz QGCOHQUPYRTGGS-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001171762354 820370748 /nfs/dbraw/zinc/37/07/48/820370748.db2.gz ANRXSEILOCBHBW-UHFFFAOYSA-N 2 0 299.419 -0.551 20 0 CBADRP C[NH+]1CCN(CC[NH2+][C@@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172001521 820373731 /nfs/dbraw/zinc/37/37/31/820373731.db2.gz UJENCOFIYJLLMA-CYBMUJFWSA-N 2 0 280.416 -0.023 20 0 CBADRP CCN1CC[C@@H]([NH2+]C[C@@H](C[NH3+])C(=O)OC)CC1=O ZINC001172026837 820378235 /nfs/dbraw/zinc/37/82/35/820378235.db2.gz QWVCBZHPNPKHPO-NXEZZACHSA-N 2 0 257.334 -0.665 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCC[N@H+](C)CCO)CC1=O ZINC001172042260 820380852 /nfs/dbraw/zinc/38/08/52/820380852.db2.gz LOKJANKJAXEZFZ-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP C[NH+]1CCN(CC[NH2+][C@@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172152429 820385636 /nfs/dbraw/zinc/38/56/36/820385636.db2.gz FGEJSQNJDLJLPL-ZIAGYGMSSA-N 2 0 280.416 -0.023 20 0 CBADRP C[NH+]1CCN(CC[NH2+][C@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172152426 820385877 /nfs/dbraw/zinc/38/58/77/820385877.db2.gz FGEJSQNJDLJLPL-KBPBESRZSA-N 2 0 280.416 -0.023 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172166925 820387551 /nfs/dbraw/zinc/38/75/51/820387551.db2.gz SDHOVNYVVDJBHG-XQQFMLRXSA-N 2 0 296.415 -0.027 20 0 CBADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172164535 820387871 /nfs/dbraw/zinc/38/78/71/820387871.db2.gz BMLRAKLYJWWNDO-VWYCJHECSA-N 2 0 269.345 -0.523 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172166922 820388691 /nfs/dbraw/zinc/38/86/91/820388691.db2.gz SDHOVNYVVDJBHG-AGIUHOORSA-N 2 0 296.415 -0.027 20 0 CBADRP CC[NH+](CC)C1CCC([NH2+]C(CO)(CO)CO)CC1 ZINC001173103766 820399244 /nfs/dbraw/zinc/39/92/44/820399244.db2.gz RJNICUIRTVZOKT-UHFFFAOYSA-N 2 0 274.405 -0.055 20 0 CBADRP CCN1CC[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C1 ZINC001173353859 820400166 /nfs/dbraw/zinc/40/01/66/820400166.db2.gz QUTQKRXBZGSXAJ-JTQLQIEISA-N 2 0 260.342 -0.782 20 0 CBADRP CC[N@@H+]1CC[C@H](NCCC[NH+](CCO)CCO)C1 ZINC001173350529 820401233 /nfs/dbraw/zinc/40/12/33/820401233.db2.gz PFJPURIZXVFOHV-ZDUSSCGKSA-N 2 0 259.394 -0.653 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH3+])C[C@@H]1C(=O)OC ZINC001173583104 820407513 /nfs/dbraw/zinc/40/75/13/820407513.db2.gz QGKAMPFLXIUTRM-DBIOUOCHSA-N 2 0 272.345 -0.088 20 0 CBADRP [NH3+]CCN1CC[NH+]([C@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173734647 820408550 /nfs/dbraw/zinc/40/85/50/820408550.db2.gz NUVYGMTULKCUIA-QWHCGFSZSA-N 2 0 279.392 -0.267 20 0 CBADRP Cn1ncnc1C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176071793 820437765 /nfs/dbraw/zinc/43/77/65/820437765.db2.gz HUTHXRBAZDLLLB-LLVKDONJSA-N 2 0 280.376 -0.637 20 0 CBADRP CN1CCC[C@H]([NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001176057816 820437820 /nfs/dbraw/zinc/43/78/20/820437820.db2.gz STUDFKMERNVMCM-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001176058092 820438033 /nfs/dbraw/zinc/43/80/33/820438033.db2.gz UKDGYMOQZJVBTM-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001176072521 820438135 /nfs/dbraw/zinc/43/81/35/820438135.db2.gz XFNCOSNWZCKISE-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP Cn1ccnc1C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176070940 820438535 /nfs/dbraw/zinc/43/85/35/820438535.db2.gz ACVZULNZKFGRKX-LBPRGKRZSA-N 2 0 279.388 -0.032 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176072202 820438776 /nfs/dbraw/zinc/43/87/76/820438776.db2.gz MTRCHFYVNZOHKP-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1)c1nnnn1C ZINC001176058617 820438926 /nfs/dbraw/zinc/43/89/26/820438926.db2.gz YYHVWDJDBIIIDU-QWRGUYRKSA-N 2 0 295.391 -0.681 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001176071801 820438958 /nfs/dbraw/zinc/43/89/58/820438958.db2.gz HYYFKYCGVMANLJ-CYBMUJFWSA-N 2 0 296.415 -0.344 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176072170 820439028 /nfs/dbraw/zinc/43/90/28/820439028.db2.gz MLWGHAJUBBDFDS-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001176102379 820439768 /nfs/dbraw/zinc/43/97/68/820439768.db2.gz FCVMXQPLXCJRDH-JTQLQIEISA-N 2 0 256.350 -0.948 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C[NH+]1CCCC1)c1nnnn1C ZINC001176102158 820440470 /nfs/dbraw/zinc/44/04/70/820440470.db2.gz BSSBFFGPNQLBJS-NSHDSACASA-N 2 0 295.391 -0.537 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C[NH+]1CCCC1)C(=O)NC1CC1 ZINC001176117507 820441464 /nfs/dbraw/zinc/44/14/64/820441464.db2.gz AHCJKHORZCCZAN-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001176110401 820441610 /nfs/dbraw/zinc/44/16/10/820441610.db2.gz NYRSAGDWVKADFN-LLVKDONJSA-N 2 0 270.377 -0.558 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176110028 820441815 /nfs/dbraw/zinc/44/18/15/820441815.db2.gz HWGUWHSUFCXUGZ-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]C[C@H](C)O ZINC001176160364 820442699 /nfs/dbraw/zinc/44/26/99/820442699.db2.gz CCVVLKTVDMKQMI-OLZOCXBDSA-N 2 0 287.404 -0.569 20 0 CBADRP O=C(CC[NH+]1CCCCC1)NCCC[NH2+]CCO ZINC001176938683 820481704 /nfs/dbraw/zinc/48/17/04/820481704.db2.gz VJYVSWFFBFPURC-UHFFFAOYSA-N 2 0 257.378 -0.049 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+][C@@H](C)c1nnnn1C ZINC001176972233 820483938 /nfs/dbraw/zinc/48/39/38/820483938.db2.gz RQRRIVZEDJGKPV-NSHDSACASA-N 2 0 297.407 -0.293 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176975134 820483966 /nfs/dbraw/zinc/48/39/66/820483966.db2.gz KEPVVTAVNWGAPE-NSHDSACASA-N 2 0 272.393 -0.443 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]Cc1cn(C)nn1 ZINC001176971797 820484828 /nfs/dbraw/zinc/48/48/28/820484828.db2.gz IHHQKQPBBABSHS-UHFFFAOYSA-N 2 0 282.392 -0.249 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001176971538 820485248 /nfs/dbraw/zinc/48/52/48/820485248.db2.gz CBCQBWDIKVMRBE-UHFFFAOYSA-N 2 0 272.393 -0.489 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001176986678 820486835 /nfs/dbraw/zinc/48/68/35/820486835.db2.gz SDFKYPGMRSFRSW-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCO ZINC001176992469 820487102 /nfs/dbraw/zinc/48/71/02/820487102.db2.gz QFCXPTMJBKEEPR-LBPRGKRZSA-N 2 0 257.378 -0.051 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cc1nnc(C)[nH]1 ZINC001177444087 820520809 /nfs/dbraw/zinc/52/08/09/820520809.db2.gz HKYPRSPGZGOJEJ-UHFFFAOYSA-N 2 0 281.364 -0.281 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C1CN(c2cnccn2)C1 ZINC001178097868 820562351 /nfs/dbraw/zinc/56/23/51/820562351.db2.gz MWKAQCQRDMSDRM-UHFFFAOYSA-N 2 0 291.359 -0.626 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178356769 820576754 /nfs/dbraw/zinc/57/67/54/820576754.db2.gz RFPNNGNPHIHYSV-RFQIPJPRSA-N 2 0 299.415 -0.333 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001179420495 820627627 /nfs/dbraw/zinc/62/76/27/820627627.db2.gz LZDIBNLQYXVRSJ-RYUDHWBXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)CC[NH+](C)C ZINC001179481111 820629741 /nfs/dbraw/zinc/62/97/41/820629741.db2.gz BCGZSMUBUVPYHG-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@H]1[C@@H]([NH2+][C@H]2CCCNC2=O)CCN1C(=O)CC[NH+](C)C ZINC001179481941 820630844 /nfs/dbraw/zinc/63/08/44/820630844.db2.gz MPHXJOVFHBJYFN-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)[C@H]1C ZINC001179539060 820631495 /nfs/dbraw/zinc/63/14/95/820631495.db2.gz NNRWBJHFXKTDFB-AVGNSLFASA-N 2 0 296.415 -0.347 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1nc(C)n[nH]1 ZINC001189876858 823784107 /nfs/dbraw/zinc/78/41/07/823784107.db2.gz XSAQFYHBOPSTFS-UHFFFAOYSA-N 2 0 267.337 -0.209 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001179929368 820647405 /nfs/dbraw/zinc/64/74/05/820647405.db2.gz KEWWCQKMKPQFSI-RYUDHWBXSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179933808 820647432 /nfs/dbraw/zinc/64/74/32/820647432.db2.gz KYKCUXKAMRKGDM-AGIUHOORSA-N 2 0 287.404 -0.476 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001180123842 820650804 /nfs/dbraw/zinc/65/08/04/820650804.db2.gz DATVSHJVMNLZKG-IHRRRGAJSA-N 2 0 299.415 -0.474 20 0 CBADRP CC(C)[NH+]1CCN(CC(=O)NCC[NH+](C)C)CC1 ZINC001180342363 820670420 /nfs/dbraw/zinc/67/04/20/820670420.db2.gz QQJGLKJLIFJDHH-UHFFFAOYSA-N 2 0 256.394 -0.310 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C1=NN(C)C(=O)CC1 ZINC001180444260 820679533 /nfs/dbraw/zinc/67/95/33/820679533.db2.gz DDFIMYIVAXSCLX-UHFFFAOYSA-N 2 0 296.375 -0.342 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180613263 820700285 /nfs/dbraw/zinc/70/02/85/820700285.db2.gz ZMJAARRPKGAAQL-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]1CCCC[C@@H]1O ZINC001181092541 820754273 /nfs/dbraw/zinc/75/42/73/820754273.db2.gz QDOXNPFTKPFQRM-ZJUUUORDSA-N 2 0 256.350 -0.002 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C1CC2(C1)OCCO2 ZINC001181512386 820792138 /nfs/dbraw/zinc/79/21/38/820792138.db2.gz CDKHIABMTGPEMA-UHFFFAOYSA-N 2 0 270.333 -0.400 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C12CC[NH+](CC1)CC2 ZINC001181551358 820796200 /nfs/dbraw/zinc/79/62/00/820796200.db2.gz DLPQDTXXNXPYKZ-UHFFFAOYSA-N 3 0 267.377 -0.067 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001181651691 820807296 /nfs/dbraw/zinc/80/72/96/820807296.db2.gz FDFHMFRANAYWIZ-VXGBXAGGSA-N 2 0 282.388 -0.641 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001181651527 820807859 /nfs/dbraw/zinc/80/78/59/820807859.db2.gz CPDKYLDHJDPQFK-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)C2(O)CC[NH+](C)CC2)CC1 ZINC001182036923 820857495 /nfs/dbraw/zinc/85/74/95/820857495.db2.gz MXDQMAOTGRQYTM-UHFFFAOYSA-N 2 0 299.415 -0.201 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C1(O)CC[NH+](C)CC1 ZINC001182035105 820857560 /nfs/dbraw/zinc/85/75/60/820857560.db2.gz YPEHVVRATRYCDI-UHFFFAOYSA-N 2 0 269.389 -0.003 20 0 CBADRP C[NH+]1CCC(O)(C(=O)NC2(CO)CC[NH+](C)CC2)CC1 ZINC001182037011 820859013 /nfs/dbraw/zinc/85/90/13/820859013.db2.gz QKAQBEWJOACCKE-UHFFFAOYSA-N 2 0 285.388 -0.984 20 0 CBADRP C[NH+]1CCC(O)(C(=O)N(CC[NH3+])c2cccnc2)CC1 ZINC001182036062 820859062 /nfs/dbraw/zinc/85/90/62/820859062.db2.gz KKSLEHHYGYBJTG-UHFFFAOYSA-N 2 0 278.356 -0.170 20 0 CBADRP C[NH+]1CCC(O)(C(=O)NCCN2CCC[N@H+](C)CC2)CC1 ZINC001182036271 820859456 /nfs/dbraw/zinc/85/94/56/820859456.db2.gz MLUXMVZDFWHJPC-UHFFFAOYSA-N 2 0 298.431 -0.803 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183268851 820985460 /nfs/dbraw/zinc/98/54/60/820985460.db2.gz YWGHWBIZANOMDR-DGCLKSJQSA-N 2 0 282.388 -0.737 20 0 CBADRP CC(C)[C@H](C(=O)N(CC[NH3+])S(C)(=O)=O)[NH+](C)C ZINC001183360356 820990849 /nfs/dbraw/zinc/99/08/49/820990849.db2.gz RLKFHNGMWIALMB-SECBINFHSA-N 2 0 265.379 -0.681 20 0 CBADRP CC(C)[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)[NH+](C)C ZINC001183366236 820990994 /nfs/dbraw/zinc/99/09/94/820990994.db2.gz PFKXCFBCNDEMGP-SNVBAGLBSA-N 2 0 290.368 -0.763 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183436205 820993982 /nfs/dbraw/zinc/99/39/82/820993982.db2.gz KNNDLJKFUBMXCX-OCCSQVGLSA-N 2 0 298.431 -0.101 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001183648776 821011449 /nfs/dbraw/zinc/01/14/49/821011449.db2.gz ZCCDYFNPKKMPPX-MGPQQGTHSA-N 2 0 299.415 -0.332 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001183648774 821012273 /nfs/dbraw/zinc/01/22/73/821012273.db2.gz ZCCDYFNPKKMPPX-MCIONIFRSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC001183764788 821032708 /nfs/dbraw/zinc/03/27/08/821032708.db2.gz IIGPIANQOVXVJA-LLVKDONJSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C[NH2+]CC(N)=O ZINC001185085849 821097981 /nfs/dbraw/zinc/09/79/81/821097981.db2.gz NFXGXWATNYIRFA-RYUDHWBXSA-N 2 0 284.404 -0.502 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1C[N@H+](C)CCN1C ZINC001185256582 821111321 /nfs/dbraw/zinc/11/13/21/821111321.db2.gz FDEDVEOXAVZJHP-ZDUSSCGKSA-N 2 0 268.405 -0.214 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC001185256620 821111565 /nfs/dbraw/zinc/11/15/65/821111565.db2.gz FMCPCZUHFVOCAM-CYBMUJFWSA-N 2 0 266.389 -0.461 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001185249241 821112885 /nfs/dbraw/zinc/11/28/85/821112885.db2.gz SGTCLXLNCNUZBK-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC001185261766 821113470 /nfs/dbraw/zinc/11/34/70/821113470.db2.gz HMWHMMGOJZJPDW-NWDGAFQWSA-N 2 0 254.378 -0.557 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001185257933 821113919 /nfs/dbraw/zinc/11/39/19/821113919.db2.gz NXSVPVCWNYPIJR-RDBSUJKOSA-N 2 0 280.416 -0.215 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001185257929 821115162 /nfs/dbraw/zinc/11/51/62/821115162.db2.gz NXSVPVCWNYPIJR-IHRRRGAJSA-N 2 0 280.416 -0.215 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185384332 821127176 /nfs/dbraw/zinc/12/71/76/821127176.db2.gz BNHIORMVQLEVJS-WCQYABFASA-N 2 0 296.415 -0.347 20 0 CBADRP CCn1nncc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185408727 821129268 /nfs/dbraw/zinc/12/92/68/821129268.db2.gz XQBWVGUJYQSBKQ-GFCCVEGCSA-N 2 0 294.403 -0.060 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001185444825 821130892 /nfs/dbraw/zinc/13/08/92/821130892.db2.gz BZFWAKGTFMDDNH-QWHCGFSZSA-N 2 0 298.431 -0.112 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185455336 821131060 /nfs/dbraw/zinc/13/10/60/821131060.db2.gz NOONMRGJOBOFRY-YNEHKIRRSA-N 2 0 298.431 -0.102 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001185650762 821136873 /nfs/dbraw/zinc/13/68/73/821136873.db2.gz LZQOLJGFLVINHK-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001185660187 821138825 /nfs/dbraw/zinc/13/88/25/821138825.db2.gz ZOECJNRNVMDXOL-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001185763292 821141109 /nfs/dbraw/zinc/14/11/09/821141109.db2.gz RYEWTHSHBCWINI-OLZOCXBDSA-N 2 0 298.431 -0.114 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001186045097 821157295 /nfs/dbraw/zinc/15/72/95/821157295.db2.gz PYATUNSSNLMRIK-YRGRVCCFSA-N 2 0 267.373 -0.537 20 0 CBADRP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC([NH+](C)C)C2)C1 ZINC001186099694 821169743 /nfs/dbraw/zinc/16/97/43/821169743.db2.gz YKINPIAFLXECDU-JTQLQIEISA-N 2 0 269.345 -0.746 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001186458406 821182133 /nfs/dbraw/zinc/18/21/33/821182133.db2.gz MMTAYHYZVPDPQH-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001186459427 821184470 /nfs/dbraw/zinc/18/44/70/821184470.db2.gz VPFMFNWLZUMBLB-SNVBAGLBSA-N 2 0 256.350 -0.996 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001186833630 821200563 /nfs/dbraw/zinc/20/05/63/821200563.db2.gz GVGQGQXCVBODPK-CYBMUJFWSA-N 2 0 294.403 -0.190 20 0 CBADRP CO[C@H](C)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187122467 821213723 /nfs/dbraw/zinc/21/37/23/821213723.db2.gz TXWQXAHRHNKGTQ-CHWSQXEVSA-N 2 0 287.404 -0.210 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187122145 821214036 /nfs/dbraw/zinc/21/40/36/821214036.db2.gz PNHVJEXZWOCYCU-OLZOCXBDSA-N 2 0 297.399 -0.720 20 0 CBADRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001187221152 821218356 /nfs/dbraw/zinc/21/83/56/821218356.db2.gz TYKRYLMMERAUDH-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001279717211 828335455 /nfs/dbraw/zinc/33/54/55/828335455.db2.gz KNZLBYKINMRXPM-JHJVBQTASA-N 2 0 287.404 -0.882 20 0 CBADRP CNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001280294884 828347064 /nfs/dbraw/zinc/34/70/64/828347064.db2.gz GLUWFOLZERDXHO-QWHCGFSZSA-N 2 0 296.415 -0.488 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CCO)CCC2)C1 ZINC001280545400 828358980 /nfs/dbraw/zinc/35/89/80/828358980.db2.gz NJVJMPVYGDDUAG-NSHDSACASA-N 2 0 255.362 -0.441 20 0 CBADRP COCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001280658564 828369960 /nfs/dbraw/zinc/36/99/60/828369960.db2.gz DTEKJVSAAQLDPM-ZIAGYGMSSA-N 2 0 299.415 -0.208 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]CCOC)C1 ZINC001280659968 828371311 /nfs/dbraw/zinc/37/13/11/828371311.db2.gz OUDCQYKUKGWRRB-ZDUSSCGKSA-N 2 0 287.404 -0.208 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001187283901 822263235 /nfs/dbraw/zinc/26/32/35/822263235.db2.gz DLQDMYADVOPOAN-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187834803 822297725 /nfs/dbraw/zinc/29/77/25/822297725.db2.gz IINPTTPHLIWGJX-LLVKDONJSA-N 2 0 268.361 -0.981 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187834801 822298022 /nfs/dbraw/zinc/29/80/22/822298022.db2.gz IGCPXLAHFGZQJI-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001187826067 822298258 /nfs/dbraw/zinc/29/82/58/822298258.db2.gz UHRUCLTVODJEQD-QWHCGFSZSA-N 2 0 285.388 -0.863 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187825335 822298882 /nfs/dbraw/zinc/29/88/82/822298882.db2.gz KWMJPMSBEJZFOM-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001187842042 822300959 /nfs/dbraw/zinc/30/09/59/822300959.db2.gz JBWRCWYSRVVRII-GFCCVEGCSA-N 2 0 255.362 -0.345 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001187921666 822311910 /nfs/dbraw/zinc/31/19/10/822311910.db2.gz OVGAMIRJNRMEKQ-CYBMUJFWSA-N 2 0 296.415 -0.072 20 0 CBADRP CC(C)n1cnc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])n1 ZINC001188042560 822316218 /nfs/dbraw/zinc/31/62/18/822316218.db2.gz JBXOGNPVTDDQGP-UHFFFAOYSA-N 2 0 267.337 -0.066 20 0 CBADRP NC(=O)C[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001282074183 828433007 /nfs/dbraw/zinc/43/30/07/828433007.db2.gz PORMLENNFCCFBG-UHFFFAOYSA-N 2 0 268.361 -0.948 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001282450666 828447704 /nfs/dbraw/zinc/44/77/04/828447704.db2.gz VTEKXZZQNMEZQP-WDEREUQCSA-N 2 0 298.387 -0.820 20 0 CBADRP C[C@@H](O)C[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001282478407 828449244 /nfs/dbraw/zinc/44/92/44/828449244.db2.gz QJQFBYRZFBUCGE-VXGBXAGGSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)CCO ZINC001282460821 828449600 /nfs/dbraw/zinc/44/96/00/828449600.db2.gz HAOXKYKMJWPGBS-NEPJUHHUSA-N 2 0 257.378 -0.243 20 0 CBADRP COCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001282873882 828459370 /nfs/dbraw/zinc/45/93/70/828459370.db2.gz LUICXEUCSZDHRZ-XYYAHUGASA-N 2 0 269.389 -0.122 20 0 CBADRP COCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001282928861 828473180 /nfs/dbraw/zinc/47/31/80/828473180.db2.gz MGEQYTMJMBMLKE-KBPBESRZSA-N 2 0 299.415 -0.066 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCNC(=O)C[NH+]1CCCC1 ZINC001283025784 828490387 /nfs/dbraw/zinc/49/03/87/828490387.db2.gz YTGFSBFTGVCNHJ-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP C[NH+](C)CCC(=O)NCCNC(=O)C1([NH+](C)C)CCC1 ZINC001283066851 828494729 /nfs/dbraw/zinc/49/47/29/828494729.db2.gz VMJRDTNDIFBVGM-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCO)C2)C1 ZINC001283102467 828496589 /nfs/dbraw/zinc/49/65/89/828496589.db2.gz PWVSSTOLSNWQSI-IJLUTSLNSA-N 2 0 255.362 -0.585 20 0 CBADRP CNC(=O)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001283147822 828500288 /nfs/dbraw/zinc/50/02/88/828500288.db2.gz YIHXWJKJZOGJBA-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](CCC[NH2+]CCO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001283215599 828509092 /nfs/dbraw/zinc/50/90/92/828509092.db2.gz XARNRLZMCCIKTM-NWDGAFQWSA-N 2 0 257.378 -0.053 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001283256460 828510410 /nfs/dbraw/zinc/51/04/10/828510410.db2.gz KPTHYNXZQNBZDW-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@H](CCC[NH2+]CCO)NC(=O)C[NH+]1CCCC1 ZINC001283278112 828511916 /nfs/dbraw/zinc/51/19/16/828511916.db2.gz IKROTHKUPMPZII-GFCCVEGCSA-N 2 0 257.378 -0.051 20 0 CBADRP CC(C)(C(=O)NC[C@@H](CO)[NH2+]CCCO)[NH+]1CCCC1 ZINC001283792640 828549163 /nfs/dbraw/zinc/54/91/63/828549163.db2.gz MYARCHPKPRSJDJ-LBPRGKRZSA-N 2 0 287.404 -0.690 20 0 CBADRP COCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283759412 828543635 /nfs/dbraw/zinc/54/36/35/828543635.db2.gz GZJNKQQZUBHOCX-JHJVBQTASA-N 2 0 287.404 -0.570 20 0 CBADRP COCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283759405 828543764 /nfs/dbraw/zinc/54/37/64/828543764.db2.gz GZJNKQQZUBHOCX-FRRDWIJNSA-N 2 0 287.404 -0.570 20 0 CBADRP COCC[NH2+][C@H](CO)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001283806030 828550200 /nfs/dbraw/zinc/55/02/00/828550200.db2.gz URYGDPYTCAWIPK-NEPJUHHUSA-N 2 0 273.377 -0.959 20 0 CBADRP COCC[NH2+][C@@H](CO)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001283806035 828550351 /nfs/dbraw/zinc/55/03/51/828550351.db2.gz URYGDPYTCAWIPK-NWDGAFQWSA-N 2 0 273.377 -0.959 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]CCC1CC1 ZINC001283827636 828554750 /nfs/dbraw/zinc/55/47/50/828554750.db2.gz OUGFVXQIJSKAOT-CYBMUJFWSA-N 2 0 269.389 -0.051 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCO)[C@@H]1C ZINC001283941367 828560870 /nfs/dbraw/zinc/56/08/70/828560870.db2.gz XEGFFZDZBABGIZ-NWDGAFQWSA-N 2 0 257.378 -0.102 20 0 CBADRP C[N@H+](CCCO)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189401322 823753485 /nfs/dbraw/zinc/75/34/85/823753485.db2.gz VBRQEJXOXRVJBA-CHWSQXEVSA-N 2 0 269.389 -0.004 20 0 CBADRP COC(=O)c1ccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])nc1 ZINC001190323334 823810959 /nfs/dbraw/zinc/81/09/59/823810959.db2.gz FVVZBNDGBOSYFZ-UHFFFAOYSA-N 2 0 293.327 -0.057 20 0 CBADRP Cn1c(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c[nH]c1=O ZINC001190995247 823866816 /nfs/dbraw/zinc/86/68/16/823866816.db2.gz KQGORGAQASRUDW-UHFFFAOYSA-N 2 0 254.294 -0.800 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192016710 823939484 /nfs/dbraw/zinc/93/94/84/823939484.db2.gz JHKVWDZZCQZPNP-NEPJUHHUSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192016713 823939556 /nfs/dbraw/zinc/93/95/56/823939556.db2.gz JHKVWDZZCQZPNP-VXGBXAGGSA-N 2 0 296.415 -0.265 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CCOCCO)C1 ZINC001192169599 823953416 /nfs/dbraw/zinc/95/34/16/823953416.db2.gz BDJZZXFPYIIEBD-CYBMUJFWSA-N 2 0 287.404 -0.520 20 0 CBADRP CNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170111 823955195 /nfs/dbraw/zinc/95/51/95/823955195.db2.gz HJDTUJQMVVERMQ-RYUDHWBXSA-N 2 0 284.404 -0.395 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H](N(C)CC(=O)NC)C1)[NH+](C)C ZINC001192387746 823964277 /nfs/dbraw/zinc/96/42/77/823964277.db2.gz YQVFVGMBGIQCQI-NEPJUHHUSA-N 2 0 284.404 -0.395 20 0 CBADRP COCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001284470468 828599319 /nfs/dbraw/zinc/59/93/19/828599319.db2.gz VGQZPGOZQARLDG-STQMWFEESA-N 2 0 287.404 -0.617 20 0 CBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193738332 824044963 /nfs/dbraw/zinc/04/49/63/824044963.db2.gz QUHJXXXLRDHNRO-CHWSQXEVSA-N 2 0 299.415 -0.332 20 0 CBADRP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193766792 824044977 /nfs/dbraw/zinc/04/49/77/824044977.db2.gz WODLUIBFCFJSSW-UPJWGTAASA-N 2 0 269.389 -0.102 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193791391 824046597 /nfs/dbraw/zinc/04/65/97/824046597.db2.gz LGZCMTPCYCKIKW-IJLUTSLNSA-N 2 0 255.362 -0.492 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193829254 824047473 /nfs/dbraw/zinc/04/74/73/824047473.db2.gz ZGSFWZKDXDCVFC-VXGBXAGGSA-N 2 0 255.362 -0.348 20 0 CBADRP COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193828107 824047679 /nfs/dbraw/zinc/04/76/79/824047679.db2.gz KWRBWOVMRMTUAL-MRVWCRGKSA-N 2 0 299.415 -0.333 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001193892828 824048989 /nfs/dbraw/zinc/04/89/89/824048989.db2.gz UMUOEISIBCONQK-MGPQQGTHSA-N 2 0 299.415 -0.596 20 0 CBADRP C[N@H+](CCOCCO)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002306 824054650 /nfs/dbraw/zinc/05/46/50/824054650.db2.gz QZCUHCFRKQQOPJ-ZIAGYGMSSA-N 2 0 299.415 -0.520 20 0 CBADRP CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194002611 824055618 /nfs/dbraw/zinc/05/56/18/824055618.db2.gz VLBRPWMWLNSUFW-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677249 824127982 /nfs/dbraw/zinc/12/79/82/824127982.db2.gz OYGCOJNMAGLJCF-CHWSQXEVSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@H]2O)CC1 ZINC001195661197 824128081 /nfs/dbraw/zinc/12/80/81/824128081.db2.gz JVODQZQUWDAVKE-CHWSQXEVSA-N 2 0 281.400 -0.101 20 0 CBADRP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708241 824129724 /nfs/dbraw/zinc/12/97/24/824129724.db2.gz JRNNHTWZSRUZQR-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001195860179 824135718 /nfs/dbraw/zinc/13/57/18/824135718.db2.gz SNMYAELFEYZREU-VXGBXAGGSA-N 2 0 255.362 -0.491 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1c[nH]c(=S)[nH]c1=O ZINC001196023866 824143900 /nfs/dbraw/zinc/14/39/00/824143900.db2.gz NAXXOJJMLBAORK-UHFFFAOYSA-N 2 0 284.345 -0.455 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCOC)C[C@H]1O)[NH+](C)C ZINC001196250955 824155118 /nfs/dbraw/zinc/15/51/18/824155118.db2.gz DBNIPPJWEVFVDA-FRRDWIJNSA-N 2 0 287.404 -0.476 20 0 CBADRP Cc1nc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c[nH]c1=O ZINC001196522457 824163454 /nfs/dbraw/zinc/16/34/54/824163454.db2.gz JLHOUYIQWAOGBZ-UHFFFAOYSA-N 2 0 266.305 -0.847 20 0 CBADRP C[C@@H](C(N)=O)N1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196942427 824172724 /nfs/dbraw/zinc/17/27/24/824172724.db2.gz BKHJVUAZSTWAJT-LBPRGKRZSA-N 2 0 296.415 -0.264 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197044400 824176516 /nfs/dbraw/zinc/17/65/16/824176516.db2.gz RVLKOILFFHHJSZ-ZDUSSCGKSA-N 2 0 287.404 -0.520 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001197058644 824176967 /nfs/dbraw/zinc/17/69/67/824176967.db2.gz VLOGTDRBVCAPHE-CHWSQXEVSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)OC)C[C@H]1O ZINC001197058425 824177461 /nfs/dbraw/zinc/17/74/61/824177461.db2.gz SSPGBDHETLTRQZ-JHJVBQTASA-N 2 0 287.404 -0.476 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC2CC2)C[C@H]1O ZINC001197535820 824194559 /nfs/dbraw/zinc/19/45/59/824194559.db2.gz FFGIJOITXFCDAT-CHWSQXEVSA-N 2 0 269.389 -0.101 20 0 CBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819419 824202812 /nfs/dbraw/zinc/20/28/12/824202812.db2.gz BPWAEGVDUCIQTG-CHWSQXEVSA-N 2 0 297.399 -0.720 20 0 CBADRP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825716 824203092 /nfs/dbraw/zinc/20/30/92/824203092.db2.gz HHBUPXGMNMKCEW-VXGBXAGGSA-N 2 0 273.377 -0.866 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)COC)C[C@H]1O ZINC001198046385 824216222 /nfs/dbraw/zinc/21/62/22/824216222.db2.gz BZFRNUWDUJDPRO-YNEHKIRRSA-N 2 0 287.404 -0.476 20 0 CBADRP [NH3+]CC1(NC(=O)c2cncn2-c2cc[nH+]cc2)COC1 ZINC001198556370 824233022 /nfs/dbraw/zinc/23/30/22/824233022.db2.gz RODHJHVMFVUXKR-UHFFFAOYSA-N 2 0 273.296 -0.275 20 0 CBADRP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198661488 824235661 /nfs/dbraw/zinc/23/56/61/824235661.db2.gz GGJHHGWKHGZFAO-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP COc1nccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])n1 ZINC001199324205 824263778 /nfs/dbraw/zinc/26/37/78/824263778.db2.gz DHTFILYYRQFZTE-UHFFFAOYSA-N 2 0 266.305 -0.440 20 0 CBADRP COCCn1ccnc1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001199408852 824267733 /nfs/dbraw/zinc/26/77/33/824267733.db2.gz BNUOPYOBINVESH-UHFFFAOYSA-N 2 0 282.348 -0.396 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001199788753 824289305 /nfs/dbraw/zinc/28/93/05/824289305.db2.gz YZSSBQPCNQZIQV-WCQYABFASA-N 2 0 296.415 -0.204 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001200122885 824307799 /nfs/dbraw/zinc/30/77/99/824307799.db2.gz JLBQULVTTKIIPD-OLZOCXBDSA-N 2 0 285.388 -0.720 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001200122433 824308121 /nfs/dbraw/zinc/30/81/21/824308121.db2.gz DLOZBCLZHNHSGP-KGLIPLIRSA-N 2 0 299.415 -0.330 20 0 CBADRP C[NH+](C)[C@H](C(=O)N1CCCO[C@H](C[NH2+]CCO)C1)C1CC1 ZINC001200696171 824324559 /nfs/dbraw/zinc/32/45/59/824324559.db2.gz JIFGAQRZCYYKEO-KGLIPLIRSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[C@H](C(=O)N1CCC([NH2+]CC(=O)NC)CC1)[NH+](C)C ZINC001201238944 824329320 /nfs/dbraw/zinc/32/93/20/824329320.db2.gz FKBVVDYIQDPHGI-GFCCVEGCSA-N 2 0 284.404 -0.347 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1n[nH]c2c1CCC2 ZINC001201243009 824329510 /nfs/dbraw/zinc/32/95/10/824329510.db2.gz QWAWMASRNJPFBT-UHFFFAOYSA-N 2 0 264.333 -0.027 20 0 CBADRP C[NH+]1CCC(C(=O)N2CCCO[C@H](C[NH2+]CCO)C2)CC1 ZINC001201310210 824331016 /nfs/dbraw/zinc/33/10/16/824331016.db2.gz YPCQWGCYFOEJMA-CQSZACIVSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001201402083 824332563 /nfs/dbraw/zinc/33/25/63/824332563.db2.gz ANIXLXYIRZGBBM-KBPBESRZSA-N 2 0 299.415 -0.472 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCC([NH2+]CC(N)=O)CC2)CC1 ZINC001202225372 824342377 /nfs/dbraw/zinc/34/23/77/824342377.db2.gz VEDCFZUSFUJHDK-UHFFFAOYSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@@H]([NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1)C(N)=O ZINC001202225425 824342488 /nfs/dbraw/zinc/34/24/88/824342488.db2.gz XSNYUPIFHGCMBO-LLVKDONJSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC([NH2+]CCO)CC1 ZINC001202238458 824343069 /nfs/dbraw/zinc/34/30/69/824343069.db2.gz GZWHLSFGPGOJNC-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cn(CC(N)=O)nn2)C1 ZINC001202750513 824351710 /nfs/dbraw/zinc/35/17/10/824351710.db2.gz UFPOMWVQAAKZGF-NSHDSACASA-N 2 0 280.376 -0.415 20 0 CBADRP C[NH+]1CCN(C2CC[NH+](C[C@@H]3CCC(=O)N3)CC2)CC1 ZINC001202845356 824352749 /nfs/dbraw/zinc/35/27/49/824352749.db2.gz XCRIMXKPAQEINU-ZDUSSCGKSA-N 2 0 280.416 -0.023 20 0 CBADRP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCC(=O)N2)CCC1=O ZINC001202876918 824353736 /nfs/dbraw/zinc/35/37/36/824353736.db2.gz BWNMJKIUTCMLTL-LBPRGKRZSA-N 2 0 282.388 -0.639 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]CCO)CC1 ZINC001203214737 824360587 /nfs/dbraw/zinc/36/05/87/824360587.db2.gz OCLAGDUYUMZHQE-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203351762 824361573 /nfs/dbraw/zinc/36/15/73/824361573.db2.gz ZLVHPIMSNDBHQS-NEPJUHHUSA-N 2 0 296.415 -0.299 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]CCCO)CC2)C1 ZINC001203699905 824363127 /nfs/dbraw/zinc/36/31/27/824363127.db2.gz WSWCOVIDXMOBML-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP [NH3+][C@@H]1CN(Cc2cc3c(s2)C[NH2+]CC3)C[C@H]1O ZINC001205363631 824378291 /nfs/dbraw/zinc/37/82/91/824378291.db2.gz PRKACZVDNFIJSG-GHMZBOCLSA-N 2 0 253.371 -0.102 20 0 CBADRP C[NH+](C)[C@H](C(=O)N1CCC(C[NH2+]CC(N)=O)CC1)C1CC1 ZINC001205461540 824379236 /nfs/dbraw/zinc/37/92/36/824379236.db2.gz MNLKZAVCIBCFTJ-AWEZNQCLSA-N 2 0 296.415 -0.360 20 0 CBADRP [NH3+]C[C@@]1(O)CCCCN(Cc2cnc3n2CC[NH2+]CC3)C1 ZINC001205671375 824381297 /nfs/dbraw/zinc/38/12/97/824381297.db2.gz AWDVKJCMELBFIX-HNNXBMFYSA-N 2 0 293.415 -0.296 20 0 CBADRP C[C@H]1CC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@@H]1C[NH3+] ZINC001205638841 824381364 /nfs/dbraw/zinc/38/13/64/824381364.db2.gz SMNDFGLENZLIII-NWDGAFQWSA-N 2 0 294.399 -0.109 20 0 CBADRP CC(C)(C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1)N1CCOCC1 ZINC001205946402 824390489 /nfs/dbraw/zinc/39/04/89/824390489.db2.gz LKAVDJLWSPOOFE-VXGBXAGGSA-N 2 0 257.378 -0.509 20 0 CBADRP [NH3+][C@@H]1CN(Cc2ccccc2N2CC[NH2+]CC2)CC[C@H]1O ZINC001206092419 824392983 /nfs/dbraw/zinc/39/29/83/824392983.db2.gz FOCBEBBUZWYUQH-GDBMZVCRSA-N 2 0 290.411 -0.010 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206281080 824396054 /nfs/dbraw/zinc/39/60/54/824396054.db2.gz AFRLOGKZNGZZCO-WCQYABFASA-N 2 0 296.415 -0.502 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206281081 824396141 /nfs/dbraw/zinc/39/61/41/824396141.db2.gz AFRLOGKZNGZZCO-YPMHNXCESA-N 2 0 296.415 -0.502 20 0 CBADRP CC[C@@H](C(=O)N1CCC(C[NH2+]CC(=O)NC)CC1)[NH+](C)C ZINC001206302188 824397034 /nfs/dbraw/zinc/39/70/34/824397034.db2.gz URZOFUTXSHAXFP-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206512634 824401746 /nfs/dbraw/zinc/40/17/46/824401746.db2.gz RYXMOTMOGMDULP-BHDSKKPTSA-N 2 0 293.367 -0.643 20 0 CBADRP [NH3+]CCNC(=O)c1cccc(CN2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206530963 824402566 /nfs/dbraw/zinc/40/25/66/824402566.db2.gz YFKFPEHHMJMGNN-KBPBESRZSA-N 2 0 292.383 -0.874 20 0 CBADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001206586430 824403744 /nfs/dbraw/zinc/40/37/44/824403744.db2.gz ZZKQWCXJZQUDIG-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP CN1CCN(C2C[NH+](CC3CC[NH+](C)CC3)C2)CC1=O ZINC001207399100 824426699 /nfs/dbraw/zinc/42/66/99/824426699.db2.gz ZSTIEARJBGSXSG-UHFFFAOYSA-N 2 0 280.416 -0.214 20 0 CBADRP COC(=O)[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCN1C ZINC001207440659 824427436 /nfs/dbraw/zinc/42/74/36/824427436.db2.gz BGCIKCZEQWUYOA-GFCCVEGCSA-N 2 0 255.362 -0.225 20 0 CBADRP COC(=O)[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCN1C(C)=O ZINC001207441990 824427875 /nfs/dbraw/zinc/42/78/75/824427875.db2.gz OYFGDVNZHVZOGN-ZDUSSCGKSA-N 2 0 283.372 -0.308 20 0 CBADRP COC(=O)C1(O)CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001207442305 824427984 /nfs/dbraw/zinc/42/79/84/824427984.db2.gz XWDXXPJIHPCOHU-UHFFFAOYSA-N 2 0 256.346 -0.014 20 0 CBADRP C[NH+]1CCC(C)(C[NH+]2CCN(CC(N)=O)CC2)CC1 ZINC001208109044 824446147 /nfs/dbraw/zinc/44/61/47/824446147.db2.gz KNEVTUHYUCEINN-UHFFFAOYSA-N 2 0 268.405 -0.179 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001208410549 824451616 /nfs/dbraw/zinc/45/16/16/824451616.db2.gz BGZCKERQOBKARM-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001208414455 824451836 /nfs/dbraw/zinc/45/18/36/824451836.db2.gz QITOWLGCYSGPHH-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492173 824454160 /nfs/dbraw/zinc/45/41/60/824454160.db2.gz GFULVNBSQXFCIJ-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208492816 824454762 /nfs/dbraw/zinc/45/47/62/824454762.db2.gz QBBWIYIKICNNNR-JHJVBQTASA-N 2 0 287.404 -0.618 20 0 CBADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001209315543 824468700 /nfs/dbraw/zinc/46/87/00/824468700.db2.gz QVHLOFJEBRLFKD-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001209323778 824468643 /nfs/dbraw/zinc/46/86/43/824468643.db2.gz MAFZQNONMXNIMQ-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001209444235 824470638 /nfs/dbraw/zinc/47/06/38/824470638.db2.gz DZOMJNYYTIHWFQ-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209443787 824470958 /nfs/dbraw/zinc/47/09/58/824470958.db2.gz BHUVSKKZIHEZIL-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP CC[C@H]([NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001209455555 824471889 /nfs/dbraw/zinc/47/18/89/824471889.db2.gz UULIHYFCSDQYFI-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001209445381 824472375 /nfs/dbraw/zinc/47/23/75/824472375.db2.gz MKEPUZUFFXBDPM-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001210217518 824478518 /nfs/dbraw/zinc/47/85/18/824478518.db2.gz JRYHDLGDZZFZHX-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210685371 824480407 /nfs/dbraw/zinc/48/04/07/824480407.db2.gz UPYMVIARHXIJOA-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP COCC[NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210666984 824480649 /nfs/dbraw/zinc/48/06/49/824480649.db2.gz BWQKQICKFDIFPJ-CYBMUJFWSA-N 2 0 287.404 -0.208 20 0 CBADRP C[NH+](C)CCOCC(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001210685076 824480756 /nfs/dbraw/zinc/48/07/56/824480756.db2.gz MRHKZYHCEUGMRW-GFCCVEGCSA-N 2 0 273.377 -0.863 20 0 CBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342246 824510990 /nfs/dbraw/zinc/51/09/90/824510990.db2.gz NROZEEXMALYEJH-CHWSQXEVSA-N 2 0 299.415 -0.474 20 0 CBADRP CO[C@@H]1C[N@@H+](C(C)C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213718967 824514185 /nfs/dbraw/zinc/51/41/85/824514185.db2.gz IEYYUBSKZJEACG-CHWSQXEVSA-N 2 0 287.404 -0.212 20 0 CBADRP CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863727 824515833 /nfs/dbraw/zinc/51/58/33/824515833.db2.gz QZTHLXFUJMOXAH-BFHYXJOUSA-N 2 0 299.415 -0.210 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847675 824536504 /nfs/dbraw/zinc/53/65/04/824536504.db2.gz NMCGXKSSYDDYQN-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215422003 824541617 /nfs/dbraw/zinc/54/16/17/824541617.db2.gz UDUZNNZJDPTXIH-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCn1cncn1 ZINC001215463330 824542012 /nfs/dbraw/zinc/54/20/12/824542012.db2.gz RUVDODGGLBJWLJ-CHWSQXEVSA-N 2 0 294.403 -0.334 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215536900 824543550 /nfs/dbraw/zinc/54/35/50/824543550.db2.gz YMQXSAZFULDMCD-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215541004 824544030 /nfs/dbraw/zinc/54/40/30/824544030.db2.gz UTCSLWIDLLSSDD-JHJVBQTASA-N 2 0 296.415 -0.489 20 0 CBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001215993985 824544588 /nfs/dbraw/zinc/54/45/88/824544588.db2.gz KXXQREJFFOFQSB-GHMZBOCLSA-N 2 0 270.377 -0.750 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754052 824548909 /nfs/dbraw/zinc/54/89/09/824548909.db2.gz FSARDYZTUGWCJB-FRRDWIJNSA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCCO ZINC001216757610 824549281 /nfs/dbraw/zinc/54/92/81/824549281.db2.gz FOSPCIIFQGTQRU-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001216851662 824550480 /nfs/dbraw/zinc/55/04/80/824550480.db2.gz FOCLYFCDLLBQPX-JHJVBQTASA-N 2 0 296.415 -0.348 20 0 CBADRP C1C[C@H](c2nnc(C34C[NH2+]CC3C[NH2+]C4)o2)CO1 ZINC001217707858 824558587 /nfs/dbraw/zinc/55/85/87/824558587.db2.gz SSXUGBHTGBOZJZ-QTZUAFFRSA-N 2 0 250.302 -0.366 20 0 CBADRP C(O[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217797450 824562278 /nfs/dbraw/zinc/56/22/78/824562278.db2.gz AGDMENBZIJFBER-LXFSFDBISA-N 2 0 281.400 -0.184 20 0 CBADRP NC(=O)[C@@H]([NH3+])Cc1ccc(OCCO[C@@H]2CC[NH2+]C2)cc1 ZINC001218395358 824566503 /nfs/dbraw/zinc/56/65/03/824566503.db2.gz UUQMWHHSJLKSKY-KGLIPLIRSA-N 2 0 293.367 -0.201 20 0 CBADRP COc1nn(C)cc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218505351 824573713 /nfs/dbraw/zinc/57/37/13/824573713.db2.gz UKYBLULYMTXWCS-QMMMGPOBSA-N 2 0 255.322 -0.177 20 0 CBADRP COC(=O)c1ccc(NC(=O)[C@@H]([NH3+])CCC[NH3+])cn1 ZINC001218510293 824575616 /nfs/dbraw/zinc/57/56/16/824575616.db2.gz SFVFEYVLQLXWCG-VIFPVBQESA-N 2 0 266.301 -0.127 20 0 CBADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H](N)C[NH3+])nc2)CC1 ZINC001218515483 824578648 /nfs/dbraw/zinc/57/86/48/824578648.db2.gz HACYHIINKMNIDY-NSHDSACASA-N 2 0 278.360 -0.942 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1ncnc2n[nH]nc21 ZINC001218515529 824579261 /nfs/dbraw/zinc/57/92/61/824579261.db2.gz IBCGBTYXQANWJP-ZETCQYMHSA-N 2 0 278.320 -0.467 20 0 CBADRP Cc1c[nH]nc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218515644 824579544 /nfs/dbraw/zinc/57/95/44/824579544.db2.gz SWIPRRNCIVPGPH-SNVBAGLBSA-N 2 0 266.349 -0.593 20 0 CBADRP Cc1cc(O)cnc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218517910 824581414 /nfs/dbraw/zinc/58/14/14/824581414.db2.gz JNFPBJYCNIALCF-SNVBAGLBSA-N 2 0 262.313 -0.157 20 0 CBADRP COc1ccnc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001218527564 824583912 /nfs/dbraw/zinc/58/39/12/824583912.db2.gz HZEGDEPOVYVLFD-GFCCVEGCSA-N 2 0 293.371 -0.221 20 0 CBADRP Cc1cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n2ncnc2n1 ZINC001218527497 824583996 /nfs/dbraw/zinc/58/39/96/824583996.db2.gz LNFOTDJHLZQBRH-VIFPVBQESA-N 2 0 287.327 -0.820 20 0 CBADRP [NH3+][C@H]1CCc2nc(NC(=O)[C@H]3[NH2+]CC[C@H]3O)sc2C1 ZINC001218535673 824585175 /nfs/dbraw/zinc/58/51/75/824585175.db2.gz ZEFHAHWRQYQYSX-IONOHQLYSA-N 2 0 282.369 -0.380 20 0 CBADRP [NH3+][C@H]1CCc2nc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)sc2C1 ZINC001218532376 824585264 /nfs/dbraw/zinc/58/52/64/824585264.db2.gz GAVGGOYKKANZIW-LKEWCRSYSA-N 2 0 282.369 -0.380 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218533130 824585489 /nfs/dbraw/zinc/58/54/89/824585489.db2.gz KDOAUQONMGDSEX-CSMHCCOUSA-N 2 0 281.385 -0.556 20 0 CBADRP Nc1cccnc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218538544 824586836 /nfs/dbraw/zinc/58/68/36/824586836.db2.gz NXQZRYJHQIBJIE-NOZJJQNGSA-N 2 0 261.329 -0.199 20 0 CBADRP Cc1nc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc(=O)[nH]1 ZINC001218565366 824592740 /nfs/dbraw/zinc/59/27/40/824592740.db2.gz VNBAZRAUJDWRTE-JTQLQIEISA-N 2 0 294.359 -0.820 20 0 CBADRP Cc1ccc(O)c(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001218565597 824594767 /nfs/dbraw/zinc/59/47/67/824594767.db2.gz YAPKMJTVXCDNKA-LLVKDONJSA-N 2 0 293.371 -0.215 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(OCC2CC2)n[nH]1 ZINC001218577993 824597779 /nfs/dbraw/zinc/59/77/79/824597779.db2.gz BVJKKKISCLLQCH-IUCAKERBSA-N 2 0 265.317 -0.316 20 0 CBADRP COc1cc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])no1 ZINC001218574383 824597826 /nfs/dbraw/zinc/59/78/26/824597826.db2.gz SNKFSDQVOGJWDS-LURJTMIESA-N 2 0 260.319 -0.359 20 0 CBADRP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218583109 824599433 /nfs/dbraw/zinc/59/94/33/824599433.db2.gz ZDVNGILSXJVVBM-UONOGXRCSA-N 2 0 299.415 -0.114 20 0 CBADRP C[C@@H]([NH3+])C(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001218619852 824604662 /nfs/dbraw/zinc/60/46/62/824604662.db2.gz KSUHJFDMDTUTKZ-LLVKDONJSA-N 2 0 293.371 -0.709 20 0 CBADRP CN(C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1nccnc1N ZINC001218623436 824607103 /nfs/dbraw/zinc/60/71/03/824607103.db2.gz MTJBVVZWHFJNCT-SNVBAGLBSA-N 2 0 290.371 -0.104 20 0 CBADRP O=C(Nc1cn[nH]c(=O)c1Cl)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218630460 824608687 /nfs/dbraw/zinc/60/86/87/824608687.db2.gz DGASVRGDDMHCNE-ZCFIWIBFSA-N 2 0 283.719 -0.417 20 0 CBADRP Cn1ncc(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)n1 ZINC001218626731 824608958 /nfs/dbraw/zinc/60/89/58/824608958.db2.gz POAJFBLMAKRACB-VIFPVBQESA-N 2 0 254.338 -0.187 20 0 CBADRP COc1nccc(N)c1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218633479 824610012 /nfs/dbraw/zinc/61/00/12/824610012.db2.gz JVDORJQIXJRPCR-YMTOWFKASA-N 2 0 291.355 -0.190 20 0 CBADRP COC(=O)c1onc(C)c1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218636504 824611492 /nfs/dbraw/zinc/61/14/92/824611492.db2.gz XSWLGQYNSGGXGB-QMMMGPOBSA-N 2 0 294.311 -0.483 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218639736 824612712 /nfs/dbraw/zinc/61/27/12/824612712.db2.gz BGEYSRXMJOUCAV-VIFPVBQESA-N 2 0 265.317 -0.656 20 0 CBADRP COc1ncnc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c1OC ZINC001218652089 824615594 /nfs/dbraw/zinc/61/55/94/824615594.db2.gz BRUCDOWZJHRRNV-QMMMGPOBSA-N 2 0 293.327 -0.759 20 0 CBADRP CC(=O)Nc1cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)ccn1 ZINC001218650812 824615833 /nfs/dbraw/zinc/61/58/33/824615833.db2.gz YNVPHFRNNTYHKF-NSHDSACASA-N 2 0 289.339 -0.213 20 0 CBADRP Nc1ncc(Cl)nc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218653214 824617007 /nfs/dbraw/zinc/61/70/07/824617007.db2.gz VKZLCRUAPJHMHZ-YFKPBYRVSA-N 2 0 290.780 -0.330 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1[nH]c(=O)[nH]c(=O)c1N=O ZINC001218671716 824619649 /nfs/dbraw/zinc/61/96/49/824619649.db2.gz QYXRDBNVELQGGU-LURJTMIESA-N 2 0 298.303 -0.059 20 0 CBADRP Nc1cc[nH]c(=O)c1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218678160 824621537 /nfs/dbraw/zinc/62/15/37/824621537.db2.gz FWUZZRRIILUDEN-SECBINFHSA-N 2 0 265.317 -0.365 20 0 CBADRP Cc1cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cc(=O)o1 ZINC001218681267 824622047 /nfs/dbraw/zinc/62/20/47/824622047.db2.gz AJUZMGJYSZHWST-JTQLQIEISA-N 2 0 263.297 -0.304 20 0 CBADRP CC(=O)c1nn(C)cc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218706963 824626472 /nfs/dbraw/zinc/62/64/72/824626472.db2.gz DIYPZCHXGGULGH-NSHDSACASA-N 2 0 279.344 -0.112 20 0 CBADRP CC(=O)c1nn(C)cc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218706961 824626542 /nfs/dbraw/zinc/62/65/42/824626542.db2.gz DIYPZCHXGGULGH-LLVKDONJSA-N 2 0 279.344 -0.112 20 0 CBADRP O=C(Nc1cc([C@H]2CCC[NH2+]2)no1)[C@H]1[NH2+]CC[C@H]1O ZINC001218710263 824627217 /nfs/dbraw/zinc/62/72/17/824627217.db2.gz DLPMJDTZVYJHIO-ZOFUNIGCSA-N 2 0 266.301 -0.240 20 0 CBADRP [NH3+]CCNCC(=O)Nc1cc([C@H]2CCC[NH2+]2)no1 ZINC001218713123 824627245 /nfs/dbraw/zinc/62/72/45/824627245.db2.gz QTDCKWYTBZDLFJ-MRVPVSSYSA-N 2 0 253.306 -0.414 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1ncccc1N1CCOCC1 ZINC001218713394 824627540 /nfs/dbraw/zinc/62/75/40/824627540.db2.gz OIVQDFLDWOBINZ-LLVKDONJSA-N 2 0 293.371 -0.077 20 0 CBADRP Cc1cc(=O)c(N)c(C)n1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218717620 824627568 /nfs/dbraw/zinc/62/75/68/824627568.db2.gz HEOASTYDCJYGHE-JTQLQIEISA-N 2 0 276.340 -0.503 20 0 CBADRP CN(C)c1cc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)[nH]n1 ZINC001218743609 824631645 /nfs/dbraw/zinc/63/16/45/824631645.db2.gz VGSRQGKEIQJPAL-LLVKDONJSA-N 2 0 266.349 -0.259 20 0 CBADRP CN(C)c1cc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])[nH]n1 ZINC001218742534 824631947 /nfs/dbraw/zinc/63/19/47/824631947.db2.gz HLSJJZSXOILSCR-ZETCQYMHSA-N 2 0 272.378 -0.567 20 0 CBADRP CN=c1c(N)cc(Cl)nn1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218743696 824632225 /nfs/dbraw/zinc/63/22/25/824632225.db2.gz WUJAKNWAQNTWHS-ZCFIWIBFSA-N 2 0 272.740 -0.644 20 0 CBADRP Cc1cnn(CCO)c1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218749909 824633502 /nfs/dbraw/zinc/63/35/02/824633502.db2.gz LYYKYEKFJQIXOI-NSHDSACASA-N 2 0 281.360 -0.551 20 0 CBADRP CCOC(=O)c1ncc(NC(=O)[C@@H]([NH3+])CCC[NH3+])cn1 ZINC001218756691 824634348 /nfs/dbraw/zinc/63/43/48/824634348.db2.gz FOAPNLLVEIPKHG-VIFPVBQESA-N 2 0 281.316 -0.342 20 0 CBADRP CNC(=O)c1cccnc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218765288 824635613 /nfs/dbraw/zinc/63/56/13/824635613.db2.gz WGAXJDWPFCULFP-JTQLQIEISA-N 2 0 279.344 -0.164 20 0 CBADRP CCc1c(NC(=O)[C@H]([NH3+])CCC[NH3+])c(C(N)=O)nn1C ZINC001218789049 824639464 /nfs/dbraw/zinc/63/94/64/824639464.db2.gz YKPLRBITHPLIHR-SSDOTTSWSA-N 2 0 282.348 -0.914 20 0 CBADRP O=C(Nc1ccccc1CO)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218829539 824643506 /nfs/dbraw/zinc/64/35/06/824643506.db2.gz IQHHZKDPKLXAHT-LLVKDONJSA-N 2 0 261.325 -0.074 20 0 CBADRP C[NH+]1CCN(c2ccc(F)cc2NC(=O)[C@@H](N)C[NH3+])CC1 ZINC001218859302 824644000 /nfs/dbraw/zinc/64/40/00/824644000.db2.gz APFHKHJJSDGMMQ-NSHDSACASA-N 2 0 295.362 -0.198 20 0 CBADRP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@@H]1C[NH2+]C[C@H]1O ZINC001218936562 824648359 /nfs/dbraw/zinc/64/83/59/824648359.db2.gz ATOXKPWNJMIJMY-ZIAGYGMSSA-N 2 0 275.352 -0.106 20 0 CBADRP NC(=O)Cc1cccc(NC(=O)[C@H]([NH3+])CCC[NH3+])c1 ZINC001218955735 824650222 /nfs/dbraw/zinc/65/02/22/824650222.db2.gz YBMXGYAYKZALEP-LLVKDONJSA-N 2 0 264.329 -0.281 20 0 CBADRP O=C(Nc1cccc2c1C[NH2+]C2)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001218994535 824652108 /nfs/dbraw/zinc/65/21/08/824652108.db2.gz KMUOUKIGFKXERT-CYBMUJFWSA-N 2 0 288.351 -0.441 20 0 CBADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@@H]1C[NH2+]CCN1 ZINC001219027922 824653080 /nfs/dbraw/zinc/65/30/80/824653080.db2.gz IHZKDGHZTAXNHD-LBPRGKRZSA-N 2 0 276.340 -0.332 20 0 CBADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cc1 ZINC001219345235 824695561 /nfs/dbraw/zinc/69/55/61/824695561.db2.gz DOWQVCJHWBFSLJ-LBPRGKRZSA-N 3 0 260.341 -0.107 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1cccc2c1CC(=O)NC2 ZINC001219369829 824699138 /nfs/dbraw/zinc/69/91/38/824699138.db2.gz QUZUSYPZDWQADU-NSHDSACASA-N 2 0 276.340 -0.136 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@@H]2O3)C1 ZINC001219537882 824723072 /nfs/dbraw/zinc/72/30/72/824723072.db2.gz RBJMCKZSSKHMRQ-KOVQTIFSSA-N 2 0 288.351 -0.238 20 0 CBADRP N[C@]1(C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@@H]2O3)CC[NH2+]C1 ZINC001219538168 824724407 /nfs/dbraw/zinc/72/44/07/824724407.db2.gz VUHZBHKCKALRLA-ONENECBXSA-N 2 0 288.351 -0.236 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@@H]2O3)C1 ZINC001219542357 824724787 /nfs/dbraw/zinc/72/47/87/824724787.db2.gz RBJMCKZSSKHMRQ-PKCZLINISA-N 2 0 288.351 -0.238 20 0 CBADRP [NH3+]CCNCC(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219540057 824724846 /nfs/dbraw/zinc/72/48/46/824724846.db2.gz CRPLVSPHNMSXID-BXKDBHETSA-N 2 0 276.340 -0.379 20 0 CBADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219537925 824725854 /nfs/dbraw/zinc/72/58/54/824725854.db2.gz RNLLCOKYHNXHNV-MRGUHSIWSA-N 2 0 289.335 -0.204 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@H]2O3)C1 ZINC001219542356 824725879 /nfs/dbraw/zinc/72/58/79/824725879.db2.gz RBJMCKZSSKHMRQ-LKAMGYQZSA-N 2 0 288.351 -0.238 20 0 CBADRP C[NH+](C)CCNC(=O)[C@H]([NH3+])Cc1cccc(O)c1 ZINC001219553801 824728087 /nfs/dbraw/zinc/72/80/87/824728087.db2.gz MLFODXAGLHKPQO-GFCCVEGCSA-N 2 0 251.330 -0.060 20 0 CBADRP CC(C)[C@H](C)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219554276 824728197 /nfs/dbraw/zinc/72/81/97/824728197.db2.gz ZDVBBEIAANDKNZ-CMPLNLGQSA-N 2 0 256.394 -0.103 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219555772 824728819 /nfs/dbraw/zinc/72/88/19/824728819.db2.gz RPGCJFZTIXYUFH-DGCLKSJQSA-N 2 0 254.378 -0.604 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001219555698 824729315 /nfs/dbraw/zinc/72/93/15/824729315.db2.gz NPXHWNPZZOIMEM-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219555839 824729733 /nfs/dbraw/zinc/72/97/33/824729733.db2.gz USTUGMSLKQSVAY-SDDRHHMPSA-N 2 0 254.378 -0.606 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCn1ccnn1 ZINC001219565962 824732806 /nfs/dbraw/zinc/73/28/06/824732806.db2.gz QYMIOIHYANEYCO-JTQLQIEISA-N 2 0 254.338 -0.889 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCN1CCCCC1=O ZINC001219569545 824732919 /nfs/dbraw/zinc/73/29/19/824732919.db2.gz VTMXFUWLYHBEQG-JTQLQIEISA-N 2 0 288.417 -0.866 20 0 CBADRP Cn1ccnc1CNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001219565442 824732922 /nfs/dbraw/zinc/73/29/22/824732922.db2.gz HQXIFYIGKSNLSM-JTQLQIEISA-N 2 0 253.350 -0.117 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219585053 824736594 /nfs/dbraw/zinc/73/65/94/824736594.db2.gz SEDGPXURJCMKKT-SRVKXCTJSA-N 2 0 284.404 -0.267 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219583592 824736770 /nfs/dbraw/zinc/73/67/70/824736770.db2.gz ZYGSGQUVRYHINI-SRVKXCTJSA-N 3 0 256.394 -0.040 20 0 CBADRP CC(C)(C)[C@H]([NH3+])CC(=O)N(CC[NH3+])S(C)(=O)=O ZINC001219595457 824739197 /nfs/dbraw/zinc/73/91/97/824739197.db2.gz AYCDYKAVJVEGRI-MRVPVSSYSA-N 2 0 265.379 -0.503 20 0 CBADRP Cc1cnc(CCNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)nc1 ZINC001219601313 824742302 /nfs/dbraw/zinc/74/23/02/824742302.db2.gz QQHHNXBJJAJMIK-IUODEOHRSA-N 2 0 289.383 -0.357 20 0 CBADRP O=C(NC[C@H](O)c1ccco1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219604484 824850237 /nfs/dbraw/zinc/85/02/37/824850237.db2.gz PUJFDIFRXWUEQD-UHIISALHSA-N 2 0 279.340 -0.372 20 0 CBADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1[NH2+]CC[C@H]1O ZINC001219614433 824853818 /nfs/dbraw/zinc/85/38/18/824853818.db2.gz ZPJPMUWJUCGSTK-BKPPORCPSA-N 2 0 267.251 -0.880 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611445 824854059 /nfs/dbraw/zinc/85/40/59/824854059.db2.gz ZAZXRYFAFCKKAC-VXNVDRBHSA-N 3 0 268.283 -0.537 20 0 CBADRP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219610817 824854079 /nfs/dbraw/zinc/85/40/79/824854079.db2.gz RZSZEUQHAQIVNU-KWQFWETISA-N 3 0 292.305 -0.794 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219609643 824854525 /nfs/dbraw/zinc/85/45/25/824854525.db2.gz ATSTYJQDWGYELT-SVRRBLITSA-N 2 0 255.240 -0.893 20 0 CBADRP N[C@]1(C(=O)N[C@]2(C(F)(F)F)CC[NH2+]C2)CC[NH2+]C1 ZINC001219611385 824854532 /nfs/dbraw/zinc/85/45/32/824854532.db2.gz YKZSNNNNNAFQIG-RKDXNWHRSA-N 2 0 266.267 -0.912 20 0 CBADRP O=C(CC1CC[NH2+]CC1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219616796 824855752 /nfs/dbraw/zinc/85/57/52/824855752.db2.gz DZYUZTOJUHGUFN-WCQYABFASA-N 2 0 273.352 -0.445 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1C[NH2+]C[C@@H](F)C1 ZINC001219617621 824856813 /nfs/dbraw/zinc/85/68/13/824856813.db2.gz MZCBSXQUNIPMMX-FYLLDIAZSA-N 2 0 277.315 -0.887 20 0 CBADRP [NH3+]C1CC2(C1)CC(C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)C2 ZINC001219617400 824857509 /nfs/dbraw/zinc/85/75/09/824857509.db2.gz MPGPZSNJENKHCH-TXJDDPAGSA-N 2 0 285.363 -0.317 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@]12CC[C@@H]1C[NH2+]C2 ZINC001219617734 824859364 /nfs/dbraw/zinc/85/93/64/824859364.db2.gz OQTSYRIHUJAQJZ-RSLMWUCJSA-N 2 0 271.336 -0.835 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)C12CC[NH+](CC1)CC2 ZINC001219620090 824859873 /nfs/dbraw/zinc/85/98/73/824859873.db2.gz VQYZJIWCKQPOQY-SMDDNHRTSA-N 2 0 285.363 -0.349 20 0 CBADRP C[C@]1(CC(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC[NH2+]C1 ZINC001219618133 824859946 /nfs/dbraw/zinc/85/99/46/824859946.db2.gz VYSRTQAUBRGCLN-CYZMBNFOSA-N 2 0 273.352 -0.445 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219622227 824860752 /nfs/dbraw/zinc/86/07/52/824860752.db2.gz QDTQKWLTPINEFN-OUJBWJOFSA-N 2 0 291.367 -0.693 20 0 CBADRP CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC001219635307 824867873 /nfs/dbraw/zinc/86/78/73/824867873.db2.gz AENZQZYDKUDNBU-SDDRHHMPSA-N 2 0 286.395 -0.125 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635460 824867987 /nfs/dbraw/zinc/86/79/87/824867987.db2.gz HQLDRCVKXJNVRO-GUBZILKMSA-N 2 0 261.341 -0.055 20 0 CBADRP C[C@H]1OCC[C@H]1CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001219634055 824868668 /nfs/dbraw/zinc/86/86/68/824868668.db2.gz LOTJBVVZFZJBJJ-USWWRNFRSA-N 2 0 255.362 -0.146 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)C1CCC(O)CC1 ZINC001219636247 824869110 /nfs/dbraw/zinc/86/91/10/824869110.db2.gz YJQCVUOAEAELMW-MNALBRSASA-N 2 0 273.352 -0.319 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)C2=NO[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001219640846 824869312 /nfs/dbraw/zinc/86/93/12/824869312.db2.gz CJENAIRLAXNAEQ-XWLWVQCSSA-N 2 0 266.345 -0.678 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])CCCNC(N)=O)C1 ZINC001219641933 824869547 /nfs/dbraw/zinc/86/95/47/824869547.db2.gz MZJJBTTYQHWYNH-VWYCJHECSA-N 2 0 285.392 -0.876 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@]2(C)CC[NH2+]C[C@H]2O)C1 ZINC001219642256 824870059 /nfs/dbraw/zinc/87/00/59/824870059.db2.gz QSJWZEPDKOQFQB-FMCLSXCISA-N 2 0 269.389 -0.291 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])Cn2cccn2)C1 ZINC001219641727 824870351 /nfs/dbraw/zinc/87/03/51/824870351.db2.gz KWWYCPXVXPDUJJ-TUAOUCFPSA-N 2 0 265.361 -0.428 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1 ZINC001219641157 824870533 /nfs/dbraw/zinc/87/05/33/824870533.db2.gz GBIQAMQGLKRTSA-ROEYZRMQSA-N 2 0 266.389 -0.430 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001219642544 824870567 /nfs/dbraw/zinc/87/05/67/824870567.db2.gz VDJSYCOOFZJQAX-OBJOEFQTSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)C2(N)CC[NH2+]CC2)C1 ZINC001219644577 824871831 /nfs/dbraw/zinc/87/18/31/824871831.db2.gz CPZKZLUCHOVMKN-WDEREUQCSA-N 2 0 254.378 -0.571 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)C2(N)CC[NH2+]CC2)C1 ZINC001219644575 824872072 /nfs/dbraw/zinc/87/20/72/824872072.db2.gz CPZKZLUCHOVMKN-MNOVXSKESA-N 2 0 254.378 -0.571 20 0 CBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219651156 824872842 /nfs/dbraw/zinc/87/28/42/824872842.db2.gz UDLAXDTWSZULBT-XYJRDEOASA-N 2 0 283.372 -0.501 20 0 CBADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219648967 824873725 /nfs/dbraw/zinc/87/37/25/824873725.db2.gz CRQFRQLYCSLSQQ-XWLWVQCSSA-N 2 0 270.377 -0.800 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC001219651417 824874884 /nfs/dbraw/zinc/87/48/84/824874884.db2.gz VLHOULDEMXUUMY-SRVKXCTJSA-N 2 0 255.362 -0.273 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)c2ncn3c2C[NH2+]CC3)C1 ZINC001219661237 824875446 /nfs/dbraw/zinc/87/54/46/824875446.db2.gz ALKOSKLSGZNBON-QWRGUYRKSA-N 2 0 277.372 -0.038 20 0 CBADRP C[C@@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C[NH2+]1 ZINC001219684550 824877473 /nfs/dbraw/zinc/87/74/73/824877473.db2.gz POVQHBLSFMWUEL-FOGDFJRCSA-N 3 0 254.378 -0.573 20 0 CBADRP C[NH2+][C@H](C(=O)NCCC1(O)C[NH2+]C1)[C@@H](C)OC(C)(C)C ZINC001219696842 824881333 /nfs/dbraw/zinc/88/13/33/824881333.db2.gz MVZOXYLSOTVTOB-MNOVXSKESA-N 2 0 287.404 -0.381 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@H]1CN(C)CCO1 ZINC001219694195 824881526 /nfs/dbraw/zinc/88/15/26/824881526.db2.gz GUKWOLJIPFLREJ-RYUDHWBXSA-N 2 0 272.393 -0.850 20 0 CBADRP [NH3+][C@H](Cc1cccc(O)c1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219697732 824882321 /nfs/dbraw/zinc/88/23/21/824882321.db2.gz XJPNBHJUUSINHB-GFCCVEGCSA-N 2 0 279.340 -0.897 20 0 CBADRP O=C(NCCC1(O)C[NH2+]C1)[C@H]1CC[C@@H](C(F)(F)F)C[NH2+]1 ZINC001219697868 824882705 /nfs/dbraw/zinc/88/27/05/824882705.db2.gz ZGZNDBBRSTXZCB-RKDXNWHRSA-N 2 0 295.305 -0.243 20 0 CBADRP Nc1nc(=O)[nH]cc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219700994 824883571 /nfs/dbraw/zinc/88/35/71/824883571.db2.gz HOVFXLWCWBELIL-LURJTMIESA-N 2 0 254.294 -0.841 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@H]1C[NH2+]C[C@H](c2ccccc2)C1 ZINC001219714711 824884289 /nfs/dbraw/zinc/88/42/89/824884289.db2.gz VHVFHNVNTDSYHM-KBUPBQIOSA-N 2 0 289.379 -0.171 20 0 CBADRP CC(C)[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@H]2O)CCC[NH2+]C1 ZINC001219714538 824885051 /nfs/dbraw/zinc/88/50/51/824885051.db2.gz OCJOAMYKEMESIH-WZRBSPASSA-N 2 0 255.362 -0.539 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC001219714179 824885541 /nfs/dbraw/zinc/88/55/41/824885541.db2.gz GWEFTPVMPRPOCS-KBUPBQIOSA-N 2 0 289.379 -0.029 20 0 CBADRP [NH3+][C@H]1COC[C@H]1NC(=O)C12CCC([NH3+])(CC1)CC2 ZINC001219720689 824887053 /nfs/dbraw/zinc/88/70/53/824887053.db2.gz OWFCVZAFFKYTNY-YSARLGLZSA-N 2 0 253.346 -0.120 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1)C1CCC(O)CC1 ZINC001219737207 824887933 /nfs/dbraw/zinc/88/79/33/824887933.db2.gz QOAJNSFXKGLSMP-TUUUFIMRSA-N 2 0 297.399 -0.641 20 0 CBADRP O=C(CC1CC[NH2+]CC1)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737244 824888211 /nfs/dbraw/zinc/88/82/11/824888211.db2.gz RAYSIPJJADWENB-LBPRGKRZSA-N 2 0 267.373 -0.129 20 0 CBADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)C1CC2(C[NH2+]C2)C1 ZINC001219737440 824888704 /nfs/dbraw/zinc/88/87/04/824888704.db2.gz WACFKCURZFDRFK-NSHDSACASA-N 2 0 265.357 -0.519 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]C1)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219736189 824888802 /nfs/dbraw/zinc/88/88/02/824888802.db2.gz BPNHKIOVRYHMDK-VXGBXAGGSA-N 2 0 267.373 -0.129 20 0 CBADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1[NH2+]CC[C@H]1O ZINC001219743476 824889160 /nfs/dbraw/zinc/88/91/60/824889160.db2.gz FBYOQASSRMGGJU-TUAOUCFPSA-N 2 0 283.372 -0.873 20 0 CBADRP NC1(C(=O)NC[C@H]2CCC3(CC[NH2+]CC3)O2)CC[NH2+]CC1 ZINC001219744103 824889538 /nfs/dbraw/zinc/88/95/38/824889538.db2.gz SGOBCXVUGOFNFV-GFCCVEGCSA-N 2 0 296.415 -0.515 20 0 CBADRP NC1(C(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)O2)CC[NH2+]CC1 ZINC001219744104 824890034 /nfs/dbraw/zinc/89/00/34/824890034.db2.gz SGOBCXVUGOFNFV-LBPRGKRZSA-N 2 0 296.415 -0.515 20 0 CBADRP C[C@]1(C(=O)NCc2nnc3n2CCC[NH2+]C3)CC[NH2+]C1 ZINC001219748773 824890068 /nfs/dbraw/zinc/89/00/68/824890068.db2.gz BGRXJRRGTZJNSS-ZDUSSCGKSA-N 2 0 278.360 -0.613 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744031 824890315 /nfs/dbraw/zinc/89/03/15/824890315.db2.gz QUTXEOFPOBYYAA-CHWSQXEVSA-N 2 0 297.399 -0.218 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]C1)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749531 824890350 /nfs/dbraw/zinc/89/03/50/824890350.db2.gz OOJNEPQIRKMYMY-LLVKDONJSA-N 2 0 292.387 -0.223 20 0 CBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)C1CC2(C[NH2+]C2)C1 ZINC001219750284 824890421 /nfs/dbraw/zinc/89/04/21/824890421.db2.gz ZZYMTMWDASVQEX-UHFFFAOYSA-N 2 0 290.371 -0.613 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219750275 824890626 /nfs/dbraw/zinc/89/06/26/824890626.db2.gz ZTFKYHWPXZPFRO-QWRGUYRKSA-N 2 0 292.387 -0.224 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219772895 824891104 /nfs/dbraw/zinc/89/11/04/824891104.db2.gz FFAYDQDJNSXAAJ-LLVKDONJSA-N 2 0 283.372 -0.085 20 0 CBADRP NC1(C(=O)NC[C@@]2(F)CCC[NH2+]C2)CC[NH2+]CC1 ZINC001219769646 824891211 /nfs/dbraw/zinc/89/12/11/824891211.db2.gz YPNHQDORIPREKB-LLVKDONJSA-N 2 0 258.341 -0.725 20 0 CBADRP O=C(CCc1c[nH]cn1)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001219770155 824892310 /nfs/dbraw/zinc/89/23/10/824892310.db2.gz IZIWUHANZBBFJA-OLZOCXBDSA-N 2 0 278.356 -0.086 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001219773309 824893445 /nfs/dbraw/zinc/89/34/45/824893445.db2.gz QFOSBIPCPRFVFF-GFCCVEGCSA-N 2 0 292.383 -0.887 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219777542 824893603 /nfs/dbraw/zinc/89/36/03/824893603.db2.gz LKOSYAZEKGZRGH-MNOVXSKESA-N 2 0 253.346 -0.785 20 0 CBADRP [NH3+][C@H]1CC[C@@H]1C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219801359 824894735 /nfs/dbraw/zinc/89/47/35/824894735.db2.gz YJQWMDDSXFUGSS-VWYCJHECSA-N 2 0 253.346 -0.392 20 0 CBADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@H]1CC[NH2+]C[C@H]1F ZINC001219799996 824894994 /nfs/dbraw/zinc/89/49/94/824894994.db2.gz GAMVNMKRSRWPTB-GRYCIOLGSA-N 2 0 285.363 -0.181 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219801257 824895424 /nfs/dbraw/zinc/89/54/24/824895424.db2.gz WNYJBZUQDLLFSS-IJLUTSLNSA-N 2 0 267.373 -0.001 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219799791 824895648 /nfs/dbraw/zinc/89/56/48/824895648.db2.gz COYDRZBPMBIREX-OLZOCXBDSA-N 3 0 298.431 -0.282 20 0 CBADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001219799666 824895858 /nfs/dbraw/zinc/89/58/58/824895858.db2.gz AJTLQIZPOMKNRS-SRVKXCTJSA-N 2 0 285.363 -0.039 20 0 CBADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219800837 824896049 /nfs/dbraw/zinc/89/60/49/824896049.db2.gz OGZLBVATJNABMR-WYUUTHIRSA-N 2 0 265.357 -0.663 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219815373 824897137 /nfs/dbraw/zinc/89/71/37/824897137.db2.gz XZFSGSISBAEYQL-MJVIPROJSA-N 2 0 285.388 -0.519 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219811106 824897343 /nfs/dbraw/zinc/89/73/43/824897343.db2.gz KFERVPGUOQWHMW-JTQLQIEISA-N 3 0 295.387 -0.217 20 0 CBADRP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219814118 824897554 /nfs/dbraw/zinc/89/75/54/824897554.db2.gz TVGLWPGXNZUSBV-BNOWGMLFSA-N 2 0 299.415 -0.333 20 0 CBADRP C[C@]1(C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)CC[NH2+]C1 ZINC001219815415 824897679 /nfs/dbraw/zinc/89/76/79/824897679.db2.gz YSADXUYWBUMLEZ-DRZSPHRISA-N 2 0 253.346 -0.662 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219812879 824897789 /nfs/dbraw/zinc/89/77/89/824897789.db2.gz KFSFRUXXJJGSJJ-CZXHOFHRSA-N 2 0 267.373 -0.273 20 0 CBADRP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219822726 824897858 /nfs/dbraw/zinc/89/78/58/824897858.db2.gz FGPBTHWTSVEXEL-OPRDCNLKSA-N 2 0 267.354 -0.269 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219812441 824898002 /nfs/dbraw/zinc/89/80/02/824898002.db2.gz BGYOROYOJJKGTO-OBJOEFQTSA-N 3 0 284.404 -0.944 20 0 CBADRP C[C@@]1(C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)CC[NH2+]C1 ZINC001219815416 824898086 /nfs/dbraw/zinc/89/80/86/824898086.db2.gz YSADXUYWBUMLEZ-UHTWSYAYSA-N 2 0 253.346 -0.662 20 0 CBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CCCC[NH2+]1 ZINC001219833592 824898965 /nfs/dbraw/zinc/89/89/65/824898965.db2.gz FJFJTPMFDKIREH-IPYPFGDCSA-N 2 0 297.399 -0.360 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001219823185 824899583 /nfs/dbraw/zinc/89/95/83/824899583.db2.gz MQDVHEHONHSJCF-VHSXEESVSA-N 2 0 283.353 -0.101 20 0 CBADRP N[C@@]1(C(=O)N[C@@H]2C[NH2+]Cc3ccsc32)CC[NH2+]C1 ZINC001219825335 824899953 /nfs/dbraw/zinc/89/99/53/824899953.db2.gz HOQWNNMMUKLQBD-SKDRFNHKSA-N 2 0 266.370 -0.301 20 0 CBADRP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@H]1C[NH2+]C[C@H]1O ZINC001219825837 824900178 /nfs/dbraw/zinc/90/01/78/824900178.db2.gz NAQQVNHDJNFTEI-IVZWLZJFSA-N 2 0 267.354 -0.411 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847411 824900888 /nfs/dbraw/zinc/90/08/88/824900888.db2.gz GKTMIKOHSKNTOZ-MPPDQPJWSA-N 2 0 269.345 -1.000 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847752 824901174 /nfs/dbraw/zinc/90/11/74/824901174.db2.gz RKLDVVYNJHCALL-JBLDHEPKSA-N 2 0 283.376 -0.725 20 0 CBADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219847361 824901707 /nfs/dbraw/zinc/90/17/07/824901707.db2.gz DZPMWVFXORCNOT-KTWSDMTRSA-N 2 0 251.330 -0.913 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854499 824902932 /nfs/dbraw/zinc/90/29/32/824902932.db2.gz KKCSYTMHBWYAFQ-WHOHXGKFSA-N 2 0 253.346 -0.521 20 0 CBADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854083 824903330 /nfs/dbraw/zinc/90/33/30/824903330.db2.gz CEACZXKUFXINNV-WHOHXGKFSA-N 2 0 255.362 -0.147 20 0 CBADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1[NH2+]Cc2ccccc21 ZINC001219856709 824903395 /nfs/dbraw/zinc/90/33/95/824903395.db2.gz XZGXYQLRAXKHPR-XJFOESAGSA-N 2 0 273.336 -0.066 20 0 CBADRP CCCC[C@H]([NH2+]C)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854445 824903411 /nfs/dbraw/zinc/90/34/11/824903411.db2.gz IRHCUISXIZBSLT-NOOOWODRSA-N 2 0 255.362 -0.132 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219865300 824904720 /nfs/dbraw/zinc/90/47/20/824904720.db2.gz LFDBYNSUALNESQ-JTQLQIEISA-N 2 0 263.345 -0.791 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCOC)C[C@@H]1O)[NH+](C)C ZINC001219868951 824905589 /nfs/dbraw/zinc/90/55/89/824905589.db2.gz DBNIPPJWEVFVDA-UPJWGTAASA-N 2 0 287.404 -0.476 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001219872554 824905875 /nfs/dbraw/zinc/90/58/75/824905875.db2.gz MEQZVLSMVZAMPB-AWEZNQCLSA-N 2 0 288.395 -0.217 20 0 CBADRP [NH3+]CCNC(=O)c1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC001219876562 824905942 /nfs/dbraw/zinc/90/59/42/824905942.db2.gz XJZLCJQSKIIPFT-UHFFFAOYSA-N 2 0 290.367 -0.143 20 0 CBADRP [NH3+]CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219872402 824906038 /nfs/dbraw/zinc/90/60/38/824906038.db2.gz CHYKNKPSTMQBRI-IUODEOHRSA-N 2 0 274.368 -0.213 20 0 CBADRP [NH3+]CCNC(=O)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219872403 824906582 /nfs/dbraw/zinc/90/65/82/824906582.db2.gz CHYKNKPSTMQBRI-SWLSCSKDSA-N 2 0 274.368 -0.213 20 0 CBADRP CCOC(=O)CC(=N)NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001219883208 824909919 /nfs/dbraw/zinc/90/99/19/824909919.db2.gz RNAKBDISLAUUPN-NSHDSACASA-N 2 0 270.333 -0.640 20 0 CBADRP Cn1cc2c(n1)[C@H](CNC(=O)[C@@H]([NH3+])CCC[NH3+])OCC2 ZINC001219885147 824909951 /nfs/dbraw/zinc/90/99/51/824909951.db2.gz IRFGFXPRCRMGJW-QWRGUYRKSA-N 2 0 281.360 -0.784 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219916504 824913235 /nfs/dbraw/zinc/91/32/35/824913235.db2.gz XUOQMXAIOHRNNN-NEPJUHHUSA-N 3 0 268.405 -0.073 20 0 CBADRP C[NH+](C)CCCCCNC(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001219921829 824914541 /nfs/dbraw/zinc/91/45/41/824914541.db2.gz ZQJHRQJCICWXQZ-VOJFVSQTSA-N 2 0 277.434 -0.070 20 0 CBADRP C[NH+](C)CCCCCNC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219917959 824914976 /nfs/dbraw/zinc/91/49/76/824914976.db2.gz AAHKNNWMYXYATK-GXTWGEPZSA-N 2 0 268.405 -0.214 20 0 CBADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)NCC[NH2+]CCO ZINC001219919047 824915183 /nfs/dbraw/zinc/91/51/83/824915183.db2.gz WFOMGVHCXBTMAT-SNVBAGLBSA-N 2 0 289.376 -0.866 20 0 CBADRP O=C(N[C@@H]1C=CS(=O)(=O)C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219945250 824919881 /nfs/dbraw/zinc/91/98/81/824919881.db2.gz FQHRFXBLEMRYTN-MNOVXSKESA-N 2 0 299.396 -0.713 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N[C@H]1C=CS(=O)(=O)C1 ZINC001219945273 824919920 /nfs/dbraw/zinc/91/99/20/824919920.db2.gz GLQFELQYZSQHAR-UWVGGRQHSA-N 2 0 275.374 -0.740 20 0 CBADRP Cc1c[nH]c(CCNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)n1 ZINC001219952114 824920425 /nfs/dbraw/zinc/92/04/25/824920425.db2.gz ONCSJNNYPOEQSI-GFCCVEGCSA-N 2 0 265.361 -0.296 20 0 CBADRP CC(C)(C)C(=O)CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001219945334 824920520 /nfs/dbraw/zinc/92/05/20/824920520.db2.gz IDNALHCVOCZPKH-QMMMGPOBSA-N 2 0 261.391 -0.263 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001219954476 824921628 /nfs/dbraw/zinc/92/16/28/824921628.db2.gz JSMBEAXCHGHXSF-ZDUSSCGKSA-N 3 0 280.416 -0.214 20 0 CBADRP O=C(NC[C@@H]1CCC(=O)N1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219959144 824923135 /nfs/dbraw/zinc/92/31/35/824923135.db2.gz JYZAHDGHNBJTES-QWRGUYRKSA-N 2 0 280.372 -0.745 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCCc1c[nH][nH]c1=O ZINC001219968158 824924615 /nfs/dbraw/zinc/92/46/15/824924615.db2.gz XKXNXDBEXIVUCL-MNOVXSKESA-N 2 0 283.376 -0.668 20 0 CBADRP [NH3+][C@@H](C(=O)NCCn1cccc1)C1CC[NH2+]CC1 ZINC001219969839 824925775 /nfs/dbraw/zinc/92/57/75/824925775.db2.gz OHNHFBNGNJVLFK-GFCCVEGCSA-N 2 0 250.346 -0.069 20 0 CBADRP COC(=O)CNC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001219974782 824926993 /nfs/dbraw/zinc/92/69/93/824926993.db2.gz FBNYYNOZBQAWJT-JTQLQIEISA-N 2 0 259.350 -0.229 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001219978589 824927005 /nfs/dbraw/zinc/92/70/05/824927005.db2.gz PIZXTPWWBXPPAJ-NEPJUHHUSA-N 3 0 256.394 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001219978590 824928101 /nfs/dbraw/zinc/92/81/01/824928101.db2.gz PIZXTPWWBXPPAJ-NWDGAFQWSA-N 3 0 256.394 -0.099 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CCCCO1 ZINC001219978164 824928246 /nfs/dbraw/zinc/92/82/46/824928246.db2.gz FMTGUKWHYHROAU-QWRGUYRKSA-N 2 0 252.318 -0.035 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)NCC(=O)NC1CCCC1 ZINC001219974945 824928276 /nfs/dbraw/zinc/92/82/76/824928276.db2.gz IYRABNVJKJNVCZ-LBPRGKRZSA-N 2 0 293.371 -0.535 20 0 CBADRP O=C(NC[C@@H]1CCCCO1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219978930 824928330 /nfs/dbraw/zinc/92/83/30/824928330.db2.gz VNLHZDFBKJQBPQ-QWRGUYRKSA-N 2 0 253.346 -0.519 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC001219981113 824929299 /nfs/dbraw/zinc/92/92/99/824929299.db2.gz XITADUQXTJOCGN-WOPDTQHZSA-N 2 0 255.362 -0.585 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001219981145 824929318 /nfs/dbraw/zinc/92/93/18/824929318.db2.gz XWWWVRPBMFWLME-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCC(=O)N1CCc2ccccc21 ZINC001219978979 824929936 /nfs/dbraw/zinc/92/99/36/824929936.db2.gz XFWDCSAGZHBDJL-GFCCVEGCSA-N 2 0 290.367 -0.242 20 0 CBADRP COC(=O)C1(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)CC[NH2+]CC1 ZINC001219999511 824930834 /nfs/dbraw/zinc/93/08/34/824930834.db2.gz VWEDPFDGQDNQGM-WDEREUQCSA-N 2 0 283.372 -0.214 20 0 CBADRP COC(=O)C1(NC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)CC[NH2+]CC1 ZINC001219999246 824931346 /nfs/dbraw/zinc/93/13/46/824931346.db2.gz NYWAWTRWZASEKV-QWRGUYRKSA-N 2 0 283.372 -0.214 20 0 CBADRP CN1C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CCC1=O ZINC001220006938 824932545 /nfs/dbraw/zinc/93/25/45/824932545.db2.gz FRIGCQRTZAOMGT-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CN1C[C@H](NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCC1=O ZINC001220006852 824932712 /nfs/dbraw/zinc/93/27/12/824932712.db2.gz DMOVGHHAZUNOOI-PWSUYJOCSA-N 2 0 268.361 -0.950 20 0 CBADRP CN1CC(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001220013063 824934264 /nfs/dbraw/zinc/93/42/64/824934264.db2.gz HHPUURPTKXRCDQ-NSHDSACASA-N 2 0 252.362 -0.709 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC1CN(C)C1 ZINC001220012725 824934737 /nfs/dbraw/zinc/93/47/37/824934737.db2.gz AXQUFELFFJIBGU-LBPRGKRZSA-N 2 0 256.394 -0.088 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC1(CO)CCOCC1 ZINC001220018826 824936400 /nfs/dbraw/zinc/93/64/00/824936400.db2.gz VBINAISLDVBIAT-NSHDSACASA-N 2 0 273.377 -0.510 20 0 CBADRP COC(=O)[C@@H](NC(=O)[C@H]([NH3+])CCC[NH3+])C1CCOCC1 ZINC001220025446 824938429 /nfs/dbraw/zinc/93/84/29/824938429.db2.gz QDNRFOQYCAEQSI-MNOVXSKESA-N 2 0 287.360 -0.863 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)n1ccc(C[NH3+])cc1=N ZINC001220045022 824941845 /nfs/dbraw/zinc/94/18/45/824941845.db2.gz IJYGLDXSIROAJR-ZANVPECISA-N 2 0 293.371 -0.444 20 0 CBADRP N=c1cc(C[NH3+])ccn1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220044950 824942006 /nfs/dbraw/zinc/94/20/06/824942006.db2.gz FQCRBMUVBNHVRT-LBPRGKRZSA-N 3 0 263.345 -0.607 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)n1ccc(C[NH3+])cc1=N ZINC001220045204 824942192 /nfs/dbraw/zinc/94/21/92/824942192.db2.gz PVWRWTUCHRFEMF-NSHDSACASA-N 3 0 265.361 -0.217 20 0 CBADRP N=c1cc(C[NH3+])ccn1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001220045278 824943785 /nfs/dbraw/zinc/94/37/85/824943785.db2.gz SQXMABSDYYZNCS-NSHDSACASA-N 2 0 291.355 -0.594 20 0 CBADRP COC(=O)C1(NC(=O)[C@H]([NH3+])CCC[NH3+])CCCC1 ZINC001220048301 824944124 /nfs/dbraw/zinc/94/41/24/824944124.db2.gz NFQWUTUOOJYAOP-SECBINFHSA-N 2 0 257.334 -0.345 20 0 CBADRP C[NH2+]CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+] ZINC001220054591 824944793 /nfs/dbraw/zinc/94/47/93/824944793.db2.gz JIPLFQYEWISUHB-LBPRGKRZSA-N 2 0 278.356 -0.992 20 0 CBADRP C[NH2+]CCNC(=O)C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220053181 824945184 /nfs/dbraw/zinc/94/51/84/824945184.db2.gz XWKVFBUZYSFWQP-AAEUAGOBSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(NCCc1cc[nH]n1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220062018 824946557 /nfs/dbraw/zinc/94/65/57/824946557.db2.gz JFMSWSKTAHGAEK-LBPRGKRZSA-N 2 0 277.372 -0.057 20 0 CBADRP Cc1nc(N)ccc1CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220071686 824951838 /nfs/dbraw/zinc/95/18/38/824951838.db2.gz NKIFSOUVLBEYPU-LLVKDONJSA-N 2 0 275.356 -0.603 20 0 CBADRP COC(=O)[C@H](CCSC)NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220079210 824952096 /nfs/dbraw/zinc/95/20/96/824952096.db2.gz CDPVQMVVNFAKDH-BDAKNGLRSA-N 2 0 277.390 -0.537 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC(=N)SCC[NH3+] ZINC001220106624 824955793 /nfs/dbraw/zinc/95/57/93/824955793.db2.gz VEWYWTASAOCQDC-CBAPKCEASA-N 2 0 289.405 -0.781 20 0 CBADRP N=C(NC(=O)[C@@H]([NH3+])C1CCC(O)CC1)SCC[NH3+] ZINC001220106725 824957182 /nfs/dbraw/zinc/95/71/82/824957182.db2.gz ZKZWQSNBVGYRBJ-HACHORDNSA-N 2 0 274.390 -0.392 20 0 CBADRP CCC(CO)(CO)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220110056 824957241 /nfs/dbraw/zinc/95/72/41/824957241.db2.gz QAMAMWPVZAFYPO-LLVKDONJSA-N 2 0 285.388 -0.890 20 0 CBADRP O=C(NC[C@H](O)c1ccc(O)cc1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220112910 824958352 /nfs/dbraw/zinc/95/83/52/824958352.db2.gz DPBOWQOUBQIJNO-OLZOCXBDSA-N 2 0 291.351 -0.649 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@@H](CO)Cc1ccc(O)cc1 ZINC001220115202 824958944 /nfs/dbraw/zinc/95/89/44/824958944.db2.gz JHZOMVNDDMKWOO-YPMHNXCESA-N 2 0 281.356 -0.522 20 0 CBADRP Cc1cnc(=O)[nH]c1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220124692 824960672 /nfs/dbraw/zinc/96/06/72/824960672.db2.gz HSHXGJZSTHKCEO-JTQLQIEISA-N 2 0 294.359 -0.820 20 0 CBADRP Cc1cnc(=O)[nH]c1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220125064 824961894 /nfs/dbraw/zinc/96/18/94/824961894.db2.gz WVCZGODOKLJJPK-SECBINFHSA-N 2 0 265.317 -0.244 20 0 CBADRP [NH3+][C@@H](C(=O)NCCOC(F)(F)F)C1CC[NH2+]CC1 ZINC001220138721 824965358 /nfs/dbraw/zinc/96/53/58/824965358.db2.gz DWOIUYZLDNXXOS-MRVPVSSYSA-N 2 0 269.267 -0.034 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCOC(F)(F)F ZINC001220139019 824965438 /nfs/dbraw/zinc/96/54/38/824965438.db2.gz LWRWCUAQUIRKBH-LURJTMIESA-N 2 0 275.296 -0.342 20 0 CBADRP [NH3+][C@H](C(=O)NCCOC(F)(F)F)C1CC[NH2+]CC1 ZINC001220138722 824965450 /nfs/dbraw/zinc/96/54/50/824965450.db2.gz DWOIUYZLDNXXOS-QMMMGPOBSA-N 2 0 269.267 -0.034 20 0 CBADRP CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001220141741 824966570 /nfs/dbraw/zinc/96/65/70/824966570.db2.gz UEMBMGJEPYNZQO-GMTAPVOTSA-N 2 0 289.401 -0.995 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC1CC2(C1)CS(=O)(=O)C2 ZINC001220143311 824967186 /nfs/dbraw/zinc/96/71/86/824967186.db2.gz BNKIBPHOFMHVGZ-JTQLQIEISA-N 2 0 289.401 -0.864 20 0 CBADRP CO[C@@H]1COCC[C@H]1NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220141093 824967255 /nfs/dbraw/zinc/96/72/55/824967255.db2.gz GAAOOEWWNDBCMA-YNEHKIRRSA-N 2 0 287.404 -0.034 20 0 CBADRP O=C(NCc1cc[nH]c(=O)c1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220148234 824969070 /nfs/dbraw/zinc/96/90/70/824969070.db2.gz RJLXCYGBEVYMNB-BXUZGUMPSA-N 2 0 276.340 -0.398 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1C[C@H](F)C1 ZINC001220148223 824969111 /nfs/dbraw/zinc/96/91/11/824969111.db2.gz QYXLUHPGJGLTPH-NHCYSSNCSA-N 2 0 272.368 -0.399 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C1 ZINC001220149833 824969185 /nfs/dbraw/zinc/96/91/85/824969185.db2.gz DZFXXPJUEGXJBL-HHHUOAJASA-N 2 0 253.346 -0.393 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)C1 ZINC001220149908 824969722 /nfs/dbraw/zinc/96/97/22/824969722.db2.gz HONLSQSBBDJOFC-MQYQWHSLSA-N 2 0 280.416 -0.086 20 0 CBADRP N=C(NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)c1nccs1 ZINC001220154334 824970899 /nfs/dbraw/zinc/97/08/99/824970899.db2.gz QKNHSIPQHKYFGI-VIFPVBQESA-N 2 0 296.400 -0.665 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001220157067 824973185 /nfs/dbraw/zinc/97/31/85/824973185.db2.gz WDBYCDDSQLRLDB-NTZNESFSSA-N 2 0 252.362 -0.852 20 0 CBADRP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220161248 824974679 /nfs/dbraw/zinc/97/46/79/824974679.db2.gz AXNYQMBTFLMWBC-IPYPFGDCSA-N 3 0 292.427 -0.166 20 0 CBADRP O=C(N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1C[NH2+]CCN1 ZINC001220163461 824974944 /nfs/dbraw/zinc/97/49/44/824974944.db2.gz RBLQKTAOTWZKRJ-OUCADQQQSA-N 2 0 266.389 -0.414 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC001220160022 824975327 /nfs/dbraw/zinc/97/53/27/824975327.db2.gz VFPVZYVSUNURND-GVXVVHGQSA-N 2 0 284.404 -0.314 20 0 CBADRP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC001220164161 824976545 /nfs/dbraw/zinc/97/65/45/824976545.db2.gz ZDDZGEFOCJFNDK-UHXUPSOCSA-N 2 0 267.373 -0.395 20 0 CBADRP O=C(N[C@H]1COCC[C@@H]1O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220181287 824978963 /nfs/dbraw/zinc/97/89/63/824978963.db2.gz IJCWYXFAVZRUCV-SRVKXCTJSA-N 2 0 283.372 -0.873 20 0 CBADRP Cc1ncc(CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)cn1 ZINC001220177948 824979962 /nfs/dbraw/zinc/97/99/62/824979962.db2.gz WPBAJSQCWMEQST-GFCCVEGCSA-N 2 0 263.345 -0.272 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC(=N)c1nccc(OC)n1 ZINC001220183486 824981572 /nfs/dbraw/zinc/98/15/72/824981572.db2.gz QLIANMUDBPHLFQ-VIFPVBQESA-N 2 0 294.359 -0.356 20 0 CBADRP O=C(NC[C@@H]1CCNCC1(F)F)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220185379 824983105 /nfs/dbraw/zinc/98/31/05/824983105.db2.gz GVBYALGYFOAUKR-VHSXEESVSA-N 2 0 288.342 -0.844 20 0 CBADRP O=C(NC[C@H]1C[C@@H](O)C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220191923 824984682 /nfs/dbraw/zinc/98/46/82/824984682.db2.gz UTIHSLSWDHUZQO-GRYCIOLGSA-N 2 0 267.373 -0.252 20 0 CBADRP CCOC(=O)CC1(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)COC1 ZINC001220214570 824987786 /nfs/dbraw/zinc/98/77/86/824987786.db2.gz DFMQVDAVFZWTQF-LBPRGKRZSA-N 2 0 299.371 -0.848 20 0 CBADRP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220227068 824988924 /nfs/dbraw/zinc/98/89/24/824988924.db2.gz GPINUXPNSQYCMZ-XQQFMLRXSA-N 2 0 299.415 -0.476 20 0 CBADRP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220227067 824989242 /nfs/dbraw/zinc/98/92/42/824989242.db2.gz GPINUXPNSQYCMZ-UPJWGTAASA-N 2 0 299.415 -0.476 20 0 CBADRP CCOCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220228972 824989571 /nfs/dbraw/zinc/98/95/71/824989571.db2.gz GYJDHDNEIVEUJD-OLZOCXBDSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001220220713 824989928 /nfs/dbraw/zinc/98/99/28/824989928.db2.gz BUIAJTUWRWPIPS-BJDJZHNGSA-N 2 0 255.362 -0.302 20 0 CBADRP CCOC(CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)OCC ZINC001220231167 824990527 /nfs/dbraw/zinc/99/05/27/824990527.db2.gz WZALSVPYYBOALT-LLVKDONJSA-N 2 0 285.388 -0.299 20 0 CBADRP CCOC(CCNC(=O)[C@@H]([NH3+])CSCC[NH3+])OCC ZINC001220231063 824991690 /nfs/dbraw/zinc/99/16/90/824991690.db2.gz UIZQLBUHCRNSSE-JTQLQIEISA-N 2 0 293.433 -0.089 20 0 CBADRP CN1C[C@H](CNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CC1=O ZINC001220245225 824993388 /nfs/dbraw/zinc/99/33/88/824993388.db2.gz KPAJYIVEDUNEKN-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001220254082 824995551 /nfs/dbraw/zinc/99/55/51/824995551.db2.gz JDMWXCKOWSLOEV-NSHDSACASA-N 2 0 267.377 -0.017 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220251803 824996110 /nfs/dbraw/zinc/99/61/10/824996110.db2.gz FYTNKMJKHXIOCQ-QWHCGFSZSA-N 3 0 268.405 -0.086 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220254509 824996195 /nfs/dbraw/zinc/99/61/95/824996195.db2.gz RUUKCUZERNBHTM-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220254746 824996246 /nfs/dbraw/zinc/99/62/46/824996246.db2.gz VZWZSWMMJBIHAY-ZIAGYGMSSA-N 3 0 297.447 -0.663 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220254744 824997111 /nfs/dbraw/zinc/99/71/11/824997111.db2.gz VZWZSWMMJBIHAY-KGLIPLIRSA-N 3 0 297.447 -0.663 20 0 CBADRP CC(C)OCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273330 825001904 /nfs/dbraw/zinc/00/19/04/825001904.db2.gz HQINUROCFRLNHG-OLZOCXBDSA-N 2 0 287.404 -0.476 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1cncn1CCOC ZINC001220274646 825002437 /nfs/dbraw/zinc/00/24/37/825002437.db2.gz MDQNCUTWTBSZRM-ZDUSSCGKSA-N 2 0 297.403 -0.137 20 0 CBADRP Cn1cc(CCNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)cn1 ZINC001220276458 825002770 /nfs/dbraw/zinc/00/27/70/825002770.db2.gz KSOHAXYUDDDTHY-LBPRGKRZSA-N 2 0 265.361 -0.594 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001220277148 825002838 /nfs/dbraw/zinc/00/28/38/825002838.db2.gz SHXIGJUMKYYDFK-MJBXVCDLSA-N 2 0 299.415 -0.332 20 0 CBADRP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276489 825003651 /nfs/dbraw/zinc/00/36/51/825003651.db2.gz CIMCZZHZHMJBBI-TUAOUCFPSA-N 2 0 273.377 -0.866 20 0 CBADRP Cn1cc(CCNC(=O)[C@@H]([NH3+])CCCC[NH3+])cn1 ZINC001220276773 825003880 /nfs/dbraw/zinc/00/38/80/825003880.db2.gz QFABEEIEZQVAAX-NSHDSACASA-N 2 0 253.350 -0.465 20 0 CBADRP O=C(NCC1OCCO1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220289026 825007363 /nfs/dbraw/zinc/00/73/63/825007363.db2.gz PQCFRLVMXHNANS-JTQLQIEISA-N 2 0 269.345 -0.650 20 0 CBADRP C[N@@H+]1CCCN(CCNC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC001220307383 825009986 /nfs/dbraw/zinc/00/99/86/825009986.db2.gz XYNRJUCYYSWEGB-CQSZACIVSA-N 2 0 268.405 -0.260 20 0 CBADRP C[N@@H+]1CCCN(CCNC(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC001220307381 825010677 /nfs/dbraw/zinc/01/06/77/825010677.db2.gz XYNRJUCYYSWEGB-AWEZNQCLSA-N 2 0 268.405 -0.260 20 0 CBADRP C[C@@]1(C(=O)NCc2ncn3c2C[NH2+]CCC3)CC[NH2+]C1 ZINC001220312712 825011752 /nfs/dbraw/zinc/01/17/52/825011752.db2.gz CLHPJVMYDXPQTN-CQSZACIVSA-N 2 0 277.372 -0.008 20 0 CBADRP NC1(C(=O)NCc2ncn3c2C[NH2+]CCC3)CC[NH2+]CC1 ZINC001220311718 825012262 /nfs/dbraw/zinc/01/22/62/825012262.db2.gz PVILMYMEOUDPFB-UHFFFAOYSA-N 2 0 292.387 -0.927 20 0 CBADRP N[C@]1(C(=O)N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)CCC[NH2+]C1 ZINC001220319369 825013289 /nfs/dbraw/zinc/01/32/89/825013289.db2.gz FQVHPOXPNJOOGN-KWCYVHTRSA-N 2 0 282.388 -0.905 20 0 CBADRP [NH3+][C@H]1CC[C@@H]1C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220317121 825014145 /nfs/dbraw/zinc/01/41/45/825014145.db2.gz WDHBAHHVSSNUSP-BLFANLJRSA-N 2 0 253.346 -0.249 20 0 CBADRP [NH3+][C@@H](C(=O)N[C@@H]1CC12CCOCC2)C1CC[NH2+]CC1 ZINC001220329170 825015184 /nfs/dbraw/zinc/01/51/84/825015184.db2.gz IDLVUCKTCAIEIU-VXGBXAGGSA-N 2 0 267.373 -0.001 20 0 CBADRP [NH3+][C@H](C(=O)N[C@H]1CC12CCOCC2)C1CC[NH2+]CC1 ZINC001220329169 825015462 /nfs/dbraw/zinc/01/54/62/825015462.db2.gz IDLVUCKTCAIEIU-RYUDHWBXSA-N 2 0 267.373 -0.001 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220320882 825015473 /nfs/dbraw/zinc/01/54/73/825015473.db2.gz QNOJGLFQYWKKDA-YRGRVCCFSA-N 2 0 283.372 -0.608 20 0 CBADRP CCOC(=O)C1(NC(=O)C2([NH3+])CC2)CC[NH+](C)CC1 ZINC001220345702 825019950 /nfs/dbraw/zinc/01/99/50/825019950.db2.gz MHSNZVSWXVEZQJ-UHFFFAOYSA-N 2 0 269.345 -0.379 20 0 CBADRP [NH3+]Cc1ccc2c(n1)N(C(=O)C[C@H](O)C[NH3+])CCC2 ZINC001220377129 825022671 /nfs/dbraw/zinc/02/26/71/825022671.db2.gz KSCNFKSDLLXMLF-NSHDSACASA-N 2 0 264.329 -0.471 20 0 CBADRP C[C@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)c1cnccn1 ZINC001220371604 825023311 /nfs/dbraw/zinc/02/33/11/825023311.db2.gz XFNOFCUXBVABMR-JQWIXIFHSA-N 2 0 292.387 -0.596 20 0 CBADRP [NH3+]Cc1ccc2c(n1)N(C(=O)C[C@@H](O)C[NH3+])CCC2 ZINC001220377128 825023842 /nfs/dbraw/zinc/02/38/42/825023842.db2.gz KSCNFKSDLLXMLF-LLVKDONJSA-N 2 0 264.329 -0.471 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O)[NH+](C)C ZINC001220377988 825024845 /nfs/dbraw/zinc/02/48/45/825024845.db2.gz WGGRWNGNLUKYRV-AGIUHOORSA-N 2 0 269.389 -0.102 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O)[NH+](C)C ZINC001220377565 825025249 /nfs/dbraw/zinc/02/52/49/825025249.db2.gz DJRAFIHBRAWUSO-WOPDTQHZSA-N 2 0 275.368 -0.153 20 0 CBADRP CN1CCOC[C@@H]1CNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220382202 825025398 /nfs/dbraw/zinc/02/53/98/825025398.db2.gz SDSKZYIBUMGRLQ-RYUDHWBXSA-N 2 0 272.393 -0.720 20 0 CBADRP CCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220381355 825025454 /nfs/dbraw/zinc/02/54/54/825025454.db2.gz OSVSQQPIBOIPLW-WOPDTQHZSA-N 2 0 257.378 -0.102 20 0 CBADRP O=C(NCC1(O)CCC1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220383985 825026656 /nfs/dbraw/zinc/02/66/56/825026656.db2.gz GJAHANACCZJDPI-LLVKDONJSA-N 2 0 267.373 -0.108 20 0 CBADRP C[NH+](C)CCC(C)(C)NC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220385926 825026982 /nfs/dbraw/zinc/02/69/82/825026982.db2.gz DKLRFXIHNAKHNC-SMDDNHRTSA-N 2 0 268.405 -0.216 20 0 CBADRP C[NH+](C)CCC(C)(C)NC(=O)[C@]1(N)CCC[NH2+]C1 ZINC001220386066 825027537 /nfs/dbraw/zinc/02/75/37/825027537.db2.gz IMUZRXMQSXHGNP-ZDUSSCGKSA-N 2 0 256.394 -0.086 20 0 CBADRP N[C@]1(C(=O)NCC23CC[NH+](CC2)CC3)CC[NH2+]C1 ZINC001220395099 825027903 /nfs/dbraw/zinc/02/79/03/825027903.db2.gz VMAXNEIEXWHOSX-CYBMUJFWSA-N 2 0 252.362 -0.721 20 0 CBADRP COC(=O)[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001220406759 825032877 /nfs/dbraw/zinc/03/28/77/825032877.db2.gz WOKHWNFMYYQKJI-GUBZILKMSA-N 2 0 289.401 -0.537 20 0 CBADRP COC(=O)[C@H]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001220406143 825033720 /nfs/dbraw/zinc/03/37/20/825033720.db2.gz LCRBCDSPIVCIMR-FUTJPDQTSA-N 2 0 295.383 -0.357 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001220429222 825036523 /nfs/dbraw/zinc/03/65/23/825036523.db2.gz NQQYFRDVMRIDQX-UMVBOHGHSA-N 2 0 297.399 -0.360 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001220429006 825036616 /nfs/dbraw/zinc/03/66/16/825036616.db2.gz JEXMGHXEXWPSSW-LJISPDSOSA-N 3 0 288.395 -0.091 20 0 CBADRP [NH3+][C@@H](C(=O)NCc1ccc2n[nH]nc2c1)C1CC[NH2+]CC1 ZINC001220426847 825036913 /nfs/dbraw/zinc/03/69/13/825036913.db2.gz QZWZUUTXBDFMOY-CYBMUJFWSA-N 2 0 288.355 -0.099 20 0 CBADRP N[C@@H](C[NH3+])c1ccc(C(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC001220431591 825039631 /nfs/dbraw/zinc/03/96/31/825039631.db2.gz KKWXIHNTPVWRNA-STQMWFEESA-N 2 0 278.356 -0.637 20 0 CBADRP O=C(N[C@@H](CO)C(F)(F)F)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220447706 825041172 /nfs/dbraw/zinc/04/11/72/825041172.db2.gz OCISRYAZKUHCIC-IUCAKERBSA-N 2 0 295.305 -0.100 20 0 CBADRP O=C(NC[C@@H](O)C1CCCCC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220466319 825044834 /nfs/dbraw/zinc/04/48/34/825044834.db2.gz ATMYVNQLWMUAIA-QWHCGFSZSA-N 2 0 281.400 -0.147 20 0 CBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)O1 ZINC001220481411 825046812 /nfs/dbraw/zinc/04/68/12/825046812.db2.gz GNRKHPIMXHCTQF-NRWUCQMLSA-N 2 0 285.388 -0.173 20 0 CBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2CC[NH2+]2)O1 ZINC001220481213 825046817 /nfs/dbraw/zinc/04/68/17/825046817.db2.gz AABTXGJEKBSKHL-BTQIBKBOSA-N 2 0 257.334 -0.811 20 0 CBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C2([NH3+])CC2)O1 ZINC001220481556 825048336 /nfs/dbraw/zinc/04/83/36/825048336.db2.gz KJYUOWMOKMRIFT-BBBLOLIVSA-N 2 0 257.334 -0.681 20 0 CBADRP [NH3+]C1(CNC(=O)CNC2CC[NH2+]CC2)CCCC1 ZINC001220495061 825049653 /nfs/dbraw/zinc/04/96/53/825049653.db2.gz WUNWZEWHKKSQRO-UHFFFAOYSA-N 2 0 254.378 -0.284 20 0 CBADRP [NH3+][C@@H](C(=O)NCC1([NH3+])CCCC1)C1CC[NH2+]CC1 ZINC001220497384 825050711 /nfs/dbraw/zinc/05/07/11/825050711.db2.gz UHAHSOUDXZHDNB-LLVKDONJSA-N 3 0 254.378 -0.299 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001220499725 825051090 /nfs/dbraw/zinc/05/10/90/825051090.db2.gz BTPXYHKRACSNRN-ZKTNFTSUSA-N 2 0 283.397 -0.102 20 0 CBADRP COC(C)(CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])OC ZINC001220509177 825051551 /nfs/dbraw/zinc/05/15/51/825051551.db2.gz NSSLFRXDWVMUBD-JTQLQIEISA-N 2 0 261.366 -0.042 20 0 CBADRP [NH3+][C@H](CNC(=O)[C@@]12C[NH2+]C[C@H]1CCN2)c1ccccc1 ZINC001220500273 825052651 /nfs/dbraw/zinc/05/26/51/825052651.db2.gz HPJDQTKBRAADMC-UMVBOHGHSA-N 2 0 274.368 -0.246 20 0 CBADRP [NH3+]CCOCCOCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC001220519123 825053189 /nfs/dbraw/zinc/05/31/89/825053189.db2.gz BRXGZYWTIDJUBE-LBPRGKRZSA-N 2 0 273.377 -0.516 20 0 CBADRP [NH3+]CCOCCOCCNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001220519114 825053444 /nfs/dbraw/zinc/05/34/44/825053444.db2.gz BKYIWFANXLJEEZ-GHMZBOCLSA-N 2 0 259.350 -0.778 20 0 CBADRP CN(CC[NH3+])CCNC(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001220515620 825053851 /nfs/dbraw/zinc/05/38/51/825053851.db2.gz HUKXHJPIKNVKCJ-DZGCQCFKSA-N 2 0 298.431 -0.458 20 0 CBADRP [NH3+]CCOCCOCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC001220519122 825054133 /nfs/dbraw/zinc/05/41/33/825054133.db2.gz BRXGZYWTIDJUBE-GFCCVEGCSA-N 2 0 273.377 -0.516 20 0 CBADRP [NH3+]CCOCCOCCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC001220519295 825054438 /nfs/dbraw/zinc/05/44/38/825054438.db2.gz JJZUXMSIDHVZJI-NSHDSACASA-N 2 0 259.350 -0.763 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CC(F)F)CC[NH2+]C1 ZINC001220522996 825055255 /nfs/dbraw/zinc/05/52/55/825055255.db2.gz HWGJJVDKSKPMJH-QMMMGPOBSA-N 2 0 291.298 -0.104 20 0 CBADRP [NH3+]CCOCCOCCNC(=O)c1ccccc1C[NH3+] ZINC001220521945 825055454 /nfs/dbraw/zinc/05/54/54/825055454.db2.gz UYGMCVRXNRXINX-UHFFFAOYSA-N 2 0 281.356 -0.133 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1nccc(Cl)n1 ZINC001220529479 825058093 /nfs/dbraw/zinc/05/80/93/825058093.db2.gz BWDXLBMRKIJRIA-ZETCQYMHSA-N 2 0 289.792 -0.235 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H](CCCC[NH3+])[NH2+]C ZINC001220583187 825070106 /nfs/dbraw/zinc/07/01/06/825070106.db2.gz FEXUYAOLUOIWLS-NSHDSACASA-N 3 0 288.392 -0.946 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)C=C1CC[NH2+]CC1 ZINC001220585475 825070407 /nfs/dbraw/zinc/07/04/07/825070407.db2.gz MNAWPLOAVZCOAL-UHFFFAOYSA-N 2 0 269.345 -0.353 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)COC)C[C@@H]1O ZINC001220584562 825070588 /nfs/dbraw/zinc/07/05/88/825070588.db2.gz CLDGGBGZAMSFQG-UPJWGTAASA-N 2 0 287.404 -0.476 20 0 CBADRP COC(=O)[C@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C(F)(F)F ZINC001220588316 825070614 /nfs/dbraw/zinc/07/06/14/825070614.db2.gz SLEIQAXWCIXBHR-BQBZGAKWSA-N 2 0 295.261 -0.985 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)COC)C[C@@H]1O ZINC001220584563 825070801 /nfs/dbraw/zinc/07/08/01/825070801.db2.gz CLDGGBGZAMSFQG-XQQFMLRXSA-N 2 0 287.404 -0.476 20 0 CBADRP O=C(N[C@H]1CNc2ccccc2C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220599258 825076588 /nfs/dbraw/zinc/07/65/88/825076588.db2.gz QXOUDVXMKFGLGH-OLZOCXBDSA-N 2 0 286.379 -0.052 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1ccc(-n2cccn2)nc1 ZINC001220673638 825081591 /nfs/dbraw/zinc/08/15/91/825081591.db2.gz GUXXDMBMYBYWKZ-LBPRGKRZSA-N 2 0 288.355 -0.050 20 0 CBADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1C[NH2+]C[C@H]1O ZINC001220680843 825084457 /nfs/dbraw/zinc/08/44/57/825084457.db2.gz SZLBVCXJLJDDEB-YBXAARCKSA-N 2 0 253.346 -0.644 20 0 CBADRP CS(=O)(=O)c1ccccc1CNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220684013 825084489 /nfs/dbraw/zinc/08/44/89/825084489.db2.gz VQILHSCARCMRHG-LLVKDONJSA-N 2 0 299.396 -0.228 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220680532 825085147 /nfs/dbraw/zinc/08/51/47/825085147.db2.gz HLAUZAWWORKRAM-GDNZZTSVSA-N 3 0 254.378 -0.286 20 0 CBADRP CC(=O)CC(C)(C)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220687299 825085854 /nfs/dbraw/zinc/08/58/54/825085854.db2.gz LQYWODNYPOGMAE-JTQLQIEISA-N 2 0 253.346 -0.331 20 0 CBADRP CC(=O)CC(C)(C)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220687109 825088037 /nfs/dbraw/zinc/08/80/37/825088037.db2.gz FTQBWPBNMWFMFU-GFCCVEGCSA-N 2 0 284.404 -0.389 20 0 CBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)Nc1cccnc1C[NH3+] ZINC001220710819 825090527 /nfs/dbraw/zinc/09/05/27/825090527.db2.gz CPTCEJFWXJZMTE-MRVPVSSYSA-N 2 0 280.332 -0.745 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCN1CCOC[C@@H]1C ZINC001220725191 825093363 /nfs/dbraw/zinc/09/33/63/825093363.db2.gz NWDNUURSDHXHBI-STQMWFEESA-N 2 0 286.420 -0.460 20 0 CBADRP C[C@H]1COCCN1CCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220725750 825093768 /nfs/dbraw/zinc/09/37/68/825093768.db2.gz XSQKVZWNIWRBFI-GZBFAFLISA-N 2 0 296.415 -0.978 20 0 CBADRP COC(=O)CC1(NC(=O)[C@@H]([NH3+])CCC[NH3+])CCOCC1 ZINC001220731284 825093809 /nfs/dbraw/zinc/09/38/09/825093809.db2.gz KCYSPTVQBULHSE-JTQLQIEISA-N 2 0 287.360 -0.719 20 0 CBADRP O=C(NC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220743627 825095500 /nfs/dbraw/zinc/09/55/00/825095500.db2.gz KHIHNVQZEAZHQL-KGLIPLIRSA-N 2 0 290.367 -0.253 20 0 CBADRP CC1(C)[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@@H]1O ZINC001220766067 825098936 /nfs/dbraw/zinc/09/89/36/825098936.db2.gz LBMDTEDGFRZKPJ-YIZRAAEISA-N 2 0 261.391 -0.719 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H]1C[C@H](O)C1(C)C ZINC001220766243 825099308 /nfs/dbraw/zinc/09/93/08/825099308.db2.gz OMZJETCOJOQQSL-AXFHLTTASA-N 2 0 257.378 -0.021 20 0 CBADRP CC1(C)[C@H](O)C[C@H]1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220765868 825099871 /nfs/dbraw/zinc/09/98/71/825099871.db2.gz GYGFABAHPNNWDL-OPRDCNLKSA-N 2 0 253.346 -0.929 20 0 CBADRP CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220766066 825099927 /nfs/dbraw/zinc/09/99/27/825099927.db2.gz LBMDTEDGFRZKPJ-XHNCKOQMSA-N 2 0 261.391 -0.719 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)(C1)CCC2 ZINC001220780369 825100776 /nfs/dbraw/zinc/10/07/76/825100776.db2.gz DUPCTKUQWCYXMZ-TUKIKUTGSA-N 2 0 294.399 -0.225 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@H]3COC4(C[NH2+]C4)CN3)(C1)CCC2 ZINC001220777010 825100862 /nfs/dbraw/zinc/10/08/62/825100862.db2.gz CBCFZSLUSZFRHW-KWCYVHTRSA-N 2 0 294.399 -0.763 20 0 CBADRP C[NH2+][C@H](C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2)[C@@H](C)O ZINC001220779139 825101534 /nfs/dbraw/zinc/10/15/34/825101534.db2.gz NERLZFWUOIFPAK-DNIRFERGSA-N 2 0 255.362 -0.125 20 0 CBADRP CN(CC(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2)C(N)=[NH2+] ZINC001220774913 825101624 /nfs/dbraw/zinc/10/16/24/825101624.db2.gz AAAQDJUPQHLELC-NEPJUHHUSA-N 2 0 253.350 -0.268 20 0 CBADRP O=C(NC[C@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220787975 825102329 /nfs/dbraw/zinc/10/23/29/825102329.db2.gz AAYNOKZFEOVFFE-ZOBORPQBSA-N 2 0 290.367 -0.429 20 0 CBADRP O=C(NC[C@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1C[NH2+]CCN1 ZINC001220791199 825102717 /nfs/dbraw/zinc/10/27/17/825102717.db2.gz XFDFQWGKGDHXNK-HZSPNIEDSA-N 2 0 289.383 -0.590 20 0 CBADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001220798890 825103496 /nfs/dbraw/zinc/10/34/96/825103496.db2.gz KRXAWHIFRNZMBB-OLZOCXBDSA-N 2 0 287.404 -0.738 20 0 CBADRP N[C@]1(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)CC[NH2+]C1 ZINC001220805510 825103967 /nfs/dbraw/zinc/10/39/67/825103967.db2.gz SJEIDGBESHKWDT-OYNCUSHFSA-N 2 0 280.294 -0.666 20 0 CBADRP N[C@]1(C(=O)N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)CC[NH2+]C1 ZINC001220805506 825104140 /nfs/dbraw/zinc/10/41/40/825104140.db2.gz SJEIDGBESHKWDT-KHQFGBGNSA-N 2 0 280.294 -0.666 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220806160 825104153 /nfs/dbraw/zinc/10/41/53/825104153.db2.gz YLHCGXVOFNGBDM-RYPBNFRJSA-N 2 0 281.278 -0.634 20 0 CBADRP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220806479 825104319 /nfs/dbraw/zinc/10/43/19/825104319.db2.gz DOYOSURYVMOCSI-XQQFMLRXSA-N 2 0 287.404 -0.740 20 0 CBADRP N[C@]1(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)CCC[NH2+]C1 ZINC001220803933 825104354 /nfs/dbraw/zinc/10/43/54/825104354.db2.gz MOVKFRKATJSFBL-FXPVBKGRSA-N 2 0 294.321 -0.276 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)C1 ZINC001220806045 825104728 /nfs/dbraw/zinc/10/47/28/825104728.db2.gz XEXRLXJMJRDRRX-KZVJFYERSA-N 2 0 280.294 -0.668 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1O ZINC001220817029 825106355 /nfs/dbraw/zinc/10/63/55/825106355.db2.gz LINZMLABTYDELA-NEPJUHHUSA-N 2 0 275.368 -0.151 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@]23CC[C@@H]2C[NH2+]C3)C[NH2+]C1 ZINC001220826953 825107137 /nfs/dbraw/zinc/10/71/37/825107137.db2.gz CSHPVHNWTJXTTA-YMTOWFKASA-N 2 0 279.340 -0.477 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)C[NH2+]C1 ZINC001220827089 825107240 /nfs/dbraw/zinc/10/72/40/825107240.db2.gz GYBBBLPEIGZOKN-GXSJLCMTSA-N 2 0 281.356 -0.089 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]CC2(C)C)C[NH2+]C1 ZINC001220829950 825108035 /nfs/dbraw/zinc/10/80/35/825108035.db2.gz HAGQKGOZGBMMIM-SNVBAGLBSA-N 2 0 281.356 -0.231 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]2CCC[NH2+][C@H]2C)C[NH2+]C1 ZINC001220827627 825108062 /nfs/dbraw/zinc/10/80/62/825108062.db2.gz WAMMIDWWGCVATH-UWVGGRQHSA-N 2 0 281.356 -0.089 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)C[NH2+]C1 ZINC001220827629 825108394 /nfs/dbraw/zinc/10/83/94/825108394.db2.gz WAMMIDWWGCVATH-ZJUUUORDSA-N 2 0 281.356 -0.089 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C2C[NH+](C)C2)C[NH2+]C1 ZINC001220827648 825108631 /nfs/dbraw/zinc/10/86/31/825108631.db2.gz WNPZHLLLNROAIH-UHFFFAOYSA-N 2 0 253.302 -0.915 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C[NH2+]C1 ZINC001220830152 825109412 /nfs/dbraw/zinc/10/94/12/825109412.db2.gz PZLYDBLXSKBVMG-JTQLQIEISA-N 3 0 298.387 -0.631 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@]23C[C@@H]2CC[NH2+]3)C[NH2+]C1 ZINC001220830008 825109680 /nfs/dbraw/zinc/10/96/80/825109680.db2.gz JSZDWLGHMYHJRT-ISVAXAHUSA-N 2 0 265.313 -0.725 20 0 CBADRP CCOC(=O)[C@H](C)CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220848780 825110885 /nfs/dbraw/zinc/11/08/85/825110885.db2.gz IVSBRWAMHHVRAH-KOLCDFICSA-N 2 0 271.361 -0.371 20 0 CBADRP CCOC(=O)[C@@H](C)CNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220848559 825111164 /nfs/dbraw/zinc/11/11/64/825111164.db2.gz AAMKQWJENHRBJS-UWVGGRQHSA-N 2 0 259.350 -0.242 20 0 CBADRP CCOC(=O)[C@H](C)CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220848736 825111254 /nfs/dbraw/zinc/11/12/54/825111254.db2.gz HDNIGPCXUXZMJF-BDAKNGLRSA-N 2 0 277.390 -0.679 20 0 CBADRP CCOC(=O)C1(NC(=O)C2CC[NH2+]CC2)C[NH2+]C1 ZINC001220851419 825111741 /nfs/dbraw/zinc/11/17/41/825111741.db2.gz VSOQHOORAYRBNR-UHFFFAOYSA-N 2 0 255.318 -0.993 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@@]2(C)CCC[NH2+]2)C[NH2+]C1 ZINC001220851024 825111989 /nfs/dbraw/zinc/11/19/89/825111989.db2.gz DMLAWEQMQNVQDH-LLVKDONJSA-N 2 0 255.318 -0.850 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220857757 825113459 /nfs/dbraw/zinc/11/34/59/825113459.db2.gz QNJUIWFUWZSNCP-OUJBWJOFSA-N 2 0 254.378 -0.573 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1C[NH3+] ZINC001220855189 825114278 /nfs/dbraw/zinc/11/42/78/825114278.db2.gz PHNACJJIOKYEOT-ZDUSSCGKSA-N 2 0 290.367 -0.289 20 0 CBADRP O=C(NCCc1c[nH]c2cc[nH+]cc12)[C@@H]1C[NH2+]C[C@H]1O ZINC001220865827 825115196 /nfs/dbraw/zinc/11/51/96/825115196.db2.gz MIYCMJXDBMKANL-DGCLKSJQSA-N 2 0 274.324 -0.198 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCCO[C@@H]1CCCCO1 ZINC001220862326 825115374 /nfs/dbraw/zinc/11/53/74/825115374.db2.gz XLGPAPRDZXDVDT-GHMZBOCLSA-N 2 0 259.350 -0.288 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)NCCc1c[nH]c2cc[nH+]cc12 ZINC001220865661 825115417 /nfs/dbraw/zinc/11/54/17/825115417.db2.gz GQWQMAPRSKOJQD-NSHDSACASA-N 2 0 261.329 -0.102 20 0 CBADRP CCC[C@@H](CCO)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220868442 825115869 /nfs/dbraw/zinc/11/58/69/825115869.db2.gz JSVWBUSDSUQWFF-QWRGUYRKSA-N 2 0 255.362 -0.537 20 0 CBADRP COc1cncc(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])c1 ZINC001220872298 825118511 /nfs/dbraw/zinc/11/85/11/825118511.db2.gz SKIJLPWZBSFDDO-NSHDSACASA-N 2 0 284.385 -0.274 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1C[NH2+]CC12CCOCC2 ZINC001220884911 825119775 /nfs/dbraw/zinc/11/97/75/825119775.db2.gz RIBAJIIKHSIOTB-NEPJUHHUSA-N 2 0 267.373 -0.129 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001220886742 825119841 /nfs/dbraw/zinc/11/98/41/825119841.db2.gz LKHVMCSIRHYDDA-BFHYXJOUSA-N 2 0 280.416 -0.072 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]1CNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220882714 825119966 /nfs/dbraw/zinc/11/99/66/825119966.db2.gz ZNJRDZSOOVMBML-OUAUKWLOSA-N 2 0 271.361 -0.242 20 0 CBADRP C[N@@H+]1C[C@@H](C(=O)N[C@@H]2CCC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001220884371 825120160 /nfs/dbraw/zinc/12/01/60/825120160.db2.gz APJNGKCXBMGUMX-OLZOCXBDSA-N 3 0 296.415 -0.693 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220884690 825120206 /nfs/dbraw/zinc/12/02/06/825120206.db2.gz KXCKJLMJMZILNK-RYUDHWBXSA-N 3 0 256.394 -0.086 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21 ZINC001220890501 825121085 /nfs/dbraw/zinc/12/10/85/825121085.db2.gz XUYWWTGYWQVRST-QCNOEVLYSA-N 2 0 253.346 -0.521 20 0 CBADRP [NH3+][C@H](C(=O)N[C@H]1CCC[NH2+]C1)C1CCC(O)CC1 ZINC001220887055 825121094 /nfs/dbraw/zinc/12/10/94/825121094.db2.gz SQZHIVSROBAPEV-ADPBJBESSA-N 2 0 255.362 -0.267 20 0 CBADRP CCOC(=O)C1(C(=O)N[C@H]2CCC[NH2+]C2)C[NH2+]C1 ZINC001220887101 825121116 /nfs/dbraw/zinc/12/11/16/825121116.db2.gz UORSOKYOUPYUMZ-VIFPVBQESA-N 2 0 255.318 -0.993 20 0 CBADRP C[NH2+][C@H]1CCCN(CC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC001220890474 825121253 /nfs/dbraw/zinc/12/12/53/825121253.db2.gz XHGUSAXXZZPMBG-RYUDHWBXSA-N 2 0 254.378 -0.462 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21 ZINC001220890499 825121387 /nfs/dbraw/zinc/12/13/87/825121387.db2.gz XUYWWTGYWQVRST-IRCOFANPSA-N 2 0 253.346 -0.521 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001220892979 825121539 /nfs/dbraw/zinc/12/15/39/825121539.db2.gz OKNCWOHDKQFZPU-NSHDSACASA-N 2 0 290.371 -0.632 20 0 CBADRP [NH3+]CCN(CCNC(=O)c1ccccc1C[NH3+])N(O)N=O ZINC001220903032 825122093 /nfs/dbraw/zinc/12/20/93/825122093.db2.gz JECTWCLGIDRRAN-UHFFFAOYSA-N 2 0 296.331 -0.577 20 0 CBADRP COC(=O)C[C@H](NC(=O)[C@H]([NH3+])CCC[NH3+])c1ccccn1 ZINC001220901247 825122493 /nfs/dbraw/zinc/12/24/93/825122493.db2.gz VEESRPXOYKQUFF-PWSUYJOCSA-N 2 0 294.355 -0.132 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930336 825123786 /nfs/dbraw/zinc/12/37/86/825123786.db2.gz OIFKWMFMBJTLHZ-NHCYSSNCSA-N 2 0 271.361 -0.807 20 0 CBADRP N[C@]1(C(=O)N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CCC[NH2+]C1 ZINC001220929985 825124560 /nfs/dbraw/zinc/12/45/60/825124560.db2.gz ISFYYOTYQFZHNV-LALPHHSUSA-N 2 0 296.415 -0.435 20 0 CBADRP N[C@H](C[NH3+])c1ccc(C(=O)NCCO[C@@H]2CC[NH2+]C2)cc1 ZINC001220939828 825126693 /nfs/dbraw/zinc/12/66/93/825126693.db2.gz XNRRWBYINGBTNM-ZIAGYGMSSA-N 2 0 292.383 -0.247 20 0 CBADRP O=C(NCCO[C@@H]1CC[NH2+]C1)C1CC2(C[NH2+]C2)C1 ZINC001220937497 825126904 /nfs/dbraw/zinc/12/69/04/825126904.db2.gz SXGJRGFESWBXMT-LLVKDONJSA-N 2 0 253.346 -0.519 20 0 CBADRP N[C@@H](C[NH3+])c1ccc(C(=O)NCCO[C@H]2CC[NH2+]C2)cc1 ZINC001220939825 825127091 /nfs/dbraw/zinc/12/70/91/825127091.db2.gz XNRRWBYINGBTNM-KBPBESRZSA-N 2 0 292.383 -0.247 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937435 825127337 /nfs/dbraw/zinc/12/73/37/825127337.db2.gz RINZDNSSOGALDS-YUMQZZPRSA-N 2 0 251.277 -0.536 20 0 CBADRP CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220960341 825129691 /nfs/dbraw/zinc/12/96/91/825129691.db2.gz LZKQIBXZAMBJSE-MXWKQRLJSA-N 2 0 287.360 -0.863 20 0 CBADRP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976437 825131961 /nfs/dbraw/zinc/13/19/61/825131961.db2.gz ZHKPMVDEESNCCV-MCIONIFRSA-N 2 0 299.415 -0.474 20 0 CBADRP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976411 825132862 /nfs/dbraw/zinc/13/28/62/825132862.db2.gz YKMQYQIVTPOCQV-UPJWGTAASA-N 2 0 285.388 -0.864 20 0 CBADRP Cc1nnc(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)o1 ZINC001221010588 825135393 /nfs/dbraw/zinc/13/53/93/825135393.db2.gz LRKOQKKZMUGTBM-JTQLQIEISA-N 2 0 279.344 -0.132 20 0 CBADRP C[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])CCO1 ZINC001221010312 825135887 /nfs/dbraw/zinc/13/58/87/825135887.db2.gz FHMCDGQWZOBABF-AEJSXWLSSA-N 2 0 261.391 -0.311 20 0 CBADRP COC[C@@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C1CC1 ZINC001221012984 825136860 /nfs/dbraw/zinc/13/68/60/825136860.db2.gz GQXDTZZDOKKGDD-CHWSQXEVSA-N 2 0 284.404 -0.722 20 0 CBADRP COC[C@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C1CC1 ZINC001221012985 825137149 /nfs/dbraw/zinc/13/71/49/825137149.db2.gz GQXDTZZDOKKGDD-OLZOCXBDSA-N 2 0 284.404 -0.722 20 0 CBADRP N[C@@]1(C(=O)N[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)CC[NH2+]C1 ZINC001221056354 825140187 /nfs/dbraw/zinc/14/01/87/825140187.db2.gz ORYPUAMLABTXHQ-YDHLFZDLSA-N 2 0 296.415 -0.563 20 0 CBADRP [NH3+]CCN(C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1ccc(F)cc1 ZINC001221060440 825140214 /nfs/dbraw/zinc/14/02/14/825140214.db2.gz ABQBZOZWQHCTNX-CYBMUJFWSA-N 3 0 292.358 -0.074 20 0 CBADRP CCOc1cccc(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001221065247 825140398 /nfs/dbraw/zinc/14/03/98/825140398.db2.gz DOPJLYOGDGTEFM-GFCCVEGCSA-N 2 0 290.367 -0.095 20 0 CBADRP [NH3+]CCN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)c1ccc(F)cc1 ZINC001221060843 825140538 /nfs/dbraw/zinc/14/05/38/825140538.db2.gz QOVOBYFWNRSSAS-RYUDHWBXSA-N 2 0 267.304 -0.160 20 0 CBADRP O=C(N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001221056363 825140621 /nfs/dbraw/zinc/14/06/21/825140621.db2.gz PGWDZDFSSBEEPS-XUXIUFHCSA-N 2 0 297.399 -0.531 20 0 CBADRP Cc1nccnc1CNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001221103399 825142973 /nfs/dbraw/zinc/14/29/73/825142973.db2.gz LRMUYSRBHJIFKK-JTQLQIEISA-N 2 0 251.334 -0.142 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC001221135765 825146182 /nfs/dbraw/zinc/14/61/82/825146182.db2.gz BUQZKUWDRMPBJG-LBPRGKRZSA-N 2 0 285.388 -0.279 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC001221135764 825146619 /nfs/dbraw/zinc/14/66/19/825146619.db2.gz BUQZKUWDRMPBJG-GFCCVEGCSA-N 2 0 285.388 -0.279 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CC1 ZINC001221133951 825146640 /nfs/dbraw/zinc/14/66/40/825146640.db2.gz DDUXEZMRNYBOCA-RWMBFGLXSA-N 2 0 296.415 -0.707 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)CNC2CC[NH2+]CC2)CC1 ZINC001221134268 825147239 /nfs/dbraw/zinc/14/72/39/825147239.db2.gz SLXOCAWWZYFAJP-UHFFFAOYSA-N 2 0 298.431 -0.316 20 0 CBADRP CCn1cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)ccc1=O ZINC001221176501 825149983 /nfs/dbraw/zinc/14/99/83/825149983.db2.gz BCBZVEGSFGKUNA-LLVKDONJSA-N 2 0 276.340 -0.384 20 0 CBADRP COCC1(CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCOCC1 ZINC001221176619 825150249 /nfs/dbraw/zinc/15/02/49/825150249.db2.gz GTQMUKBRRVSWCA-CYBMUJFWSA-N 2 0 299.415 -0.127 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC001221188580 825151585 /nfs/dbraw/zinc/15/15/85/825151585.db2.gz XXEPUGCNHMVSOW-OUAUKWLOSA-N 2 0 271.361 -0.229 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC001221188539 825151632 /nfs/dbraw/zinc/15/16/32/825151632.db2.gz XHVONHJKLWAFPL-AXFHLTTASA-N 2 0 271.361 -0.229 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001221190369 825151979 /nfs/dbraw/zinc/15/19/79/825151979.db2.gz KTPRWRKDPKMIDU-GUBZILKMSA-N 2 0 275.324 -0.669 20 0 CBADRP C[N@@H+]1CCC[C@](C)(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001221241423 825157750 /nfs/dbraw/zinc/15/77/50/825157750.db2.gz VDMLBDROOUWYGD-VHDGCEQUSA-N 3 0 280.416 -0.214 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@@H]1CCOC[C@@H]1F ZINC001221242909 825158511 /nfs/dbraw/zinc/15/85/11/825158511.db2.gz BEWPLTLFVSBUTC-XHNCKOQMSA-N 2 0 265.354 -0.751 20 0 CBADRP C[N@@H+]1CCC[C@](C)(NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001221241091 825158807 /nfs/dbraw/zinc/15/88/07/825158807.db2.gz NJWJLPNQMVSITE-YPMHNXCESA-N 2 0 265.361 -0.120 20 0 CBADRP C[N@@H+]1CCC[C@@](C)(NC(=O)CNC2CC[NH2+]CC2)C1 ZINC001221241491 825158889 /nfs/dbraw/zinc/15/88/89/825158889.db2.gz WIASMIFXOJSNQY-CQSZACIVSA-N 2 0 268.405 -0.072 20 0 CBADRP C[N@@H+]1CCC[C@](C)(NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001221241088 825159122 /nfs/dbraw/zinc/15/91/22/825159122.db2.gz NJWJLPNQMVSITE-AAEUAGOBSA-N 2 0 265.361 -0.120 20 0 CBADRP C[N@@H+]1CCC[C@](C)(NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC001221243523 825160085 /nfs/dbraw/zinc/16/00/85/825160085.db2.gz KAGADXUKTAGTPE-AAEUAGOBSA-N 2 0 255.362 -0.035 20 0 CBADRP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001221244018 825160698 /nfs/dbraw/zinc/16/06/98/825160698.db2.gz OTYICEIHWCEICA-TZMCWYRMSA-N 3 0 268.405 -0.086 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC1CN(C2COC2)C1 ZINC001221245740 825160827 /nfs/dbraw/zinc/16/08/27/825160827.db2.gz AFKWGMWDJYGHIO-JTQLQIEISA-N 2 0 270.377 -0.968 20 0 CBADRP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001221248070 825161616 /nfs/dbraw/zinc/16/16/16/825161616.db2.gz INOVPVVECAAYKR-MBNYWOFBSA-N 2 0 267.373 -0.395 20 0 CBADRP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@H]1C[NH2+]CCN1 ZINC001221248375 825161834 /nfs/dbraw/zinc/16/18/34/825161834.db2.gz UGUPHJQIICFSFG-TZMCWYRMSA-N 2 0 266.389 -0.414 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC1CN(C2COC2)C1 ZINC001221246337 825162416 /nfs/dbraw/zinc/16/24/16/825162416.db2.gz YEYUOLNVCRVCEZ-ZDUSSCGKSA-N 2 0 284.404 -0.755 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001221254658 825162491 /nfs/dbraw/zinc/16/24/91/825162491.db2.gz RXDVEYIULBNEKH-RYUDHWBXSA-N 2 0 284.404 -0.456 20 0 CBADRP CC(C)(O)[C@H](F)CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001221260151 825164406 /nfs/dbraw/zinc/16/44/06/825164406.db2.gz JAAVZGTXTULXJF-ZJUUUORDSA-N 2 0 261.341 -0.462 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC1=CC(=O)NCC1 ZINC001221316127 825169393 /nfs/dbraw/zinc/16/93/93/825169393.db2.gz GGJSRKNVTKGGIP-NSHDSACASA-N 2 0 268.361 -0.434 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC1=CC(=O)NCC1 ZINC001221316897 825169545 /nfs/dbraw/zinc/16/95/45/825169545.db2.gz NQDRWLLTFVBJTI-VIFPVBQESA-N 2 0 254.334 -0.647 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CCC[C@H]1CO ZINC001221309823 825169701 /nfs/dbraw/zinc/16/97/01/825169701.db2.gz WPTWISJGRLGHCE-UHTWSYAYSA-N 2 0 284.404 -0.986 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1cnc(Cl)cn1 ZINC001221319091 825171512 /nfs/dbraw/zinc/17/15/12/825171512.db2.gz MHNCLNAUHFXJEC-QMMMGPOBSA-N 2 0 257.725 -0.188 20 0 CBADRP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001221332275 825172151 /nfs/dbraw/zinc/17/21/51/825172151.db2.gz IRZKTKCOXYYDHT-MJBXVCDLSA-N 2 0 275.352 -0.521 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)n1cc(N)c(=O)nc1N ZINC001221332044 825172579 /nfs/dbraw/zinc/17/25/79/825172579.db2.gz WISPVGWAOUEOET-QMMMGPOBSA-N 2 0 282.348 -0.650 20 0 CBADRP Nc1cn(C(=O)C[C@@H]([NH3+])CCCC[NH3+])c(N)nc1=O ZINC001221331525 825172657 /nfs/dbraw/zinc/17/26/57/825172657.db2.gz TVJYMZDTMJXBAF-ZETCQYMHSA-N 2 0 268.321 -0.863 20 0 CBADRP O=C(NC1=CCOC1=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221333164 825172796 /nfs/dbraw/zinc/17/27/96/825172796.db2.gz VQAQLBKMKYLYAW-VIFPVBQESA-N 2 0 265.313 -0.583 20 0 CBADRP N[C@]1(C(=O)N2Cc3ccccc3C[C@H]2C[NH3+])CC[NH2+]C1 ZINC001221331723 825172803 /nfs/dbraw/zinc/17/28/03/825172803.db2.gz FKRLLWITHWFGGI-DZGCQCFKSA-N 2 0 274.368 -0.411 20 0 CBADRP O=C(NC[C@@H](O)CF)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221339085 825173925 /nfs/dbraw/zinc/17/39/25/825173925.db2.gz VXXCIEVURQMGPU-VHSXEESVSA-N 2 0 259.325 -0.693 20 0 CBADRP COc1cnccc1CCNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001221338556 825174045 /nfs/dbraw/zinc/17/40/45/825174045.db2.gz ZLMGVQGBCXTCDC-NSHDSACASA-N 2 0 266.345 -0.185 20 0 CBADRP [NH3+]CCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001221347416 825174586 /nfs/dbraw/zinc/17/45/86/825174586.db2.gz JULCJTFYIVEPGG-RYUDHWBXSA-N 2 0 282.388 -0.416 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@@H]1CNC(=O)C1(C)C ZINC001221370041 825177359 /nfs/dbraw/zinc/17/73/59/825177359.db2.gz OTKBTORXQNYZPG-WDEREUQCSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1COCCN1 ZINC001221391102 825179893 /nfs/dbraw/zinc/17/98/93/825179893.db2.gz WSZOYXPRLPMXAP-JTQLQIEISA-N 2 0 271.365 -0.961 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001221388313 825180505 /nfs/dbraw/zinc/18/05/05/825180505.db2.gz BQQSPXRRVJCZEF-GFCCVEGCSA-N 3 0 298.435 -0.623 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001221389612 825180683 /nfs/dbraw/zinc/18/06/83/825180683.db2.gz LZZFWLBFWJPMRV-URLYPYJESA-N 3 0 267.377 -0.484 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H](N)CCC[NH3+] ZINC001221389210 825180690 /nfs/dbraw/zinc/18/06/90/825180690.db2.gz IYWDHBLHKLPXLT-JTQLQIEISA-N 3 0 272.397 -0.884 20 0 CBADRP CC(C)N(C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C(C)(C)C[NH3+] ZINC001221394867 825181679 /nfs/dbraw/zinc/18/16/79/825181679.db2.gz WBDAKLZVPVXINV-LLVKDONJSA-N 3 0 268.405 -0.230 20 0 CBADRP C[C@]1(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCCOC1 ZINC001221402364 825182626 /nfs/dbraw/zinc/18/26/26/825182626.db2.gz FCAMDXNKUXEWOM-KWCYVHTRSA-N 2 0 267.373 -0.129 20 0 CBADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1 ZINC001221403617 825182887 /nfs/dbraw/zinc/18/28/87/825182887.db2.gz CTZLWIAHUXTILZ-RAIGVLPGSA-N 2 0 279.340 -0.466 20 0 CBADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H](N)CC[NH3+])c1 ZINC001221403266 825183214 /nfs/dbraw/zinc/18/32/14/825183214.db2.gz ATZGFLXWDRUGGI-NWDGAFQWSA-N 2 0 266.345 -0.513 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)CC[NH3+])[C@@H](C)C1 ZINC001221405855 825183707 /nfs/dbraw/zinc/18/37/07/825183707.db2.gz CDAKTLGHZZWXGU-SDDRHHMPSA-N 2 0 256.394 -0.103 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)[C@H](C)C1 ZINC001221405897 825184385 /nfs/dbraw/zinc/18/43/85/825184385.db2.gz CKYDREAEFBBDMV-NDBYEHHHSA-N 2 0 268.405 -0.089 20 0 CBADRP C[NH+](C)CC1CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC001221403813 825184495 /nfs/dbraw/zinc/18/44/95/825184495.db2.gz YTVBJYXQPBTHRJ-FIYWTHMPSA-N 2 0 269.389 -0.197 20 0 CBADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@@]2(N)CCC[NH2+]C2)c1 ZINC001221403971 825184551 /nfs/dbraw/zinc/18/45/51/825184551.db2.gz JZIYVTUTCMZSPG-DZGCQCFKSA-N 2 0 292.383 -0.108 20 0 CBADRP C[NH+](C)CC1CCC(NC(=O)[C@H]2C[NH2+]C[C@@H]2N)CC1 ZINC001221403811 825184556 /nfs/dbraw/zinc/18/45/56/825184556.db2.gz YOJLBBAWJGRQLS-TYUFSLCMSA-N 2 0 268.405 -0.230 20 0 CBADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001221410201 825185103 /nfs/dbraw/zinc/18/51/03/825185103.db2.gz QFZDSWXFGNVBTK-GZBFAFLISA-N 2 0 278.400 -0.558 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)C[C@H](O)C[NH3+])[C@H](C)C1 ZINC001221409967 825185126 /nfs/dbraw/zinc/18/51/26/825185126.db2.gz WCZYOOXANZLJFY-GRYCIOLGSA-N 2 0 257.378 -0.069 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221408142 825185434 /nfs/dbraw/zinc/18/54/34/825185434.db2.gz HLNNITNEPDDHJJ-GXTWGEPZSA-N 2 0 294.399 -0.560 20 0 CBADRP NC1(C(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)CC[NH2+]CC1 ZINC001221408032 825185447 /nfs/dbraw/zinc/18/54/47/825185447.db2.gz GDIMGAQJCVCUOB-LBPRGKRZSA-N 2 0 266.389 -0.428 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221409058 825185737 /nfs/dbraw/zinc/18/57/37/825185737.db2.gz MBWDKWAGOMYOHB-AVCJSFLBSA-N 2 0 287.429 -0.413 20 0 CBADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221410810 825186035 /nfs/dbraw/zinc/18/60/35/825186035.db2.gz RLPSOCMVTMUEMH-QWHCGFSZSA-N 3 0 278.400 -0.700 20 0 CBADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001221411959 825187564 /nfs/dbraw/zinc/18/75/64/825187564.db2.gz ZWZSJIGHVDJRQI-SDDRHHMPSA-N 2 0 253.346 -0.787 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791689 825193573 /nfs/dbraw/zinc/19/35/73/825193573.db2.gz YBLUMUDGGSZGOH-HZSPNIEDSA-N 2 0 299.415 -0.522 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@H]2CCN([C@@H]3CCNC3=O)C[C@H]21 ZINC001221789477 825194142 /nfs/dbraw/zinc/19/41/42/825194142.db2.gz YUAORWMGRFRZDO-JHJVBQTASA-N 2 0 294.399 -0.641 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCO)C[C@H]21 ZINC001222053137 825199506 /nfs/dbraw/zinc/19/95/06/825199506.db2.gz GRXXRUOYSNNRCZ-CHWSQXEVSA-N 2 0 269.389 -0.148 20 0 CBADRP C(C[N@@H+]1CCNC2(CC[NH2+]CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC001222086242 825199645 /nfs/dbraw/zinc/19/96/45/825199645.db2.gz USQNBQKHNMLMIJ-CYBMUJFWSA-N 3 0 268.405 -0.608 20 0 CBADRP COC(=O)[C@@H](C)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222085944 825200032 /nfs/dbraw/zinc/20/00/32/825200032.db2.gz PRZKVFVFSMLESM-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP Cc1nonc1CN1CCNC2(CC[NH2+]CC2)C1 ZINC001222109527 825200299 /nfs/dbraw/zinc/20/02/99/825200299.db2.gz JMWFJXVNHVBGIW-UHFFFAOYSA-N 2 0 251.334 -0.095 20 0 CBADRP O=C1NCC[C@@]12C[N@H+](CCCCO)CC21C[NH2+]C1 ZINC001222520083 825215350 /nfs/dbraw/zinc/21/53/50/825215350.db2.gz ATISVGTWHWPZHQ-CYBMUJFWSA-N 2 0 253.346 -0.830 20 0 CBADRP O=C1NCC[C@]12C[N@H+](CCCCO)CC21C[NH2+]C1 ZINC001222520084 825215393 /nfs/dbraw/zinc/21/53/93/825215393.db2.gz ATISVGTWHWPZHQ-ZDUSSCGKSA-N 2 0 253.346 -0.830 20 0 CBADRP C([C@H]1[C@@H]2C[NH2+]C[C@H]12)N1CC[NH2+]C[C@]2(CCCCN2)C1 ZINC001222668418 825219810 /nfs/dbraw/zinc/21/98/10/825219810.db2.gz KFLPCLKJNGJMNY-CBBWQLFWSA-N 2 0 264.417 -0.131 20 0 CBADRP COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001226554882 825280506 /nfs/dbraw/zinc/28/05/06/825280506.db2.gz SSOVXFJJUBDUSG-KBPBESRZSA-N 2 0 299.415 -0.332 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001228365742 825315665 /nfs/dbraw/zinc/31/56/65/825315665.db2.gz IMQFLMICYRIGSI-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C)C(N)=O ZINC001228355231 825316206 /nfs/dbraw/zinc/31/62/06/825316206.db2.gz JNGBYHITCLMJNA-IJLUTSLNSA-N 2 0 284.404 -0.171 20 0 CBADRP CNC(=O)CN1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228879912 825323408 /nfs/dbraw/zinc/32/34/08/825323408.db2.gz XYEACMXHUNCFEU-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)CC[NH+](C)C)CC2)C1=O ZINC001229007702 825326470 /nfs/dbraw/zinc/32/64/70/825326470.db2.gz BOQTZKAYMQZSOV-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229008630 825326511 /nfs/dbraw/zinc/32/65/11/825326511.db2.gz SNFDROGOLVFXBM-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229008632 825327022 /nfs/dbraw/zinc/32/70/22/825327022.db2.gz SNFDROGOLVFXBM-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP COC[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001230262768 825344059 /nfs/dbraw/zinc/34/40/59/825344059.db2.gz RGRYDFLIWINSAN-GXTWGEPZSA-N 2 0 299.415 -0.474 20 0 CBADRP [NH3+][C@@]12C[C@@H]1CCN(Cc1cnc3n1CC[NH2+]CC3)C2 ZINC001235163333 825487438 /nfs/dbraw/zinc/48/74/38/825487438.db2.gz WJXIMQVOPHMGMY-SMDDNHRTSA-N 2 0 261.373 -0.048 20 0 CBADRP C[C@@H](C(N)=O)N1CC[C@H]1CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001235395928 825493662 /nfs/dbraw/zinc/49/36/62/825493662.db2.gz YYGUWEUVYLWJPX-AAEUAGOBSA-N 2 0 296.415 -0.123 20 0 CBADRP CNC(=O)C[N@@H+]1CCCC12CCN(CC[NH3+])CC2 ZINC001235486726 825497651 /nfs/dbraw/zinc/49/76/51/825497651.db2.gz DGCYQQCPJNIFKV-UHFFFAOYSA-N 2 0 254.378 -0.379 20 0 CBADRP CN1CC[NH+](C[C@@H]2Cn3ccnc3CN(CC[NH3+])C2)CC1 ZINC001235614148 825506476 /nfs/dbraw/zinc/50/64/76/825506476.db2.gz BFPGSAUAMORSAL-AWEZNQCLSA-N 2 0 292.431 -0.479 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN(C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235771254 825513954 /nfs/dbraw/zinc/51/39/54/825513954.db2.gz KEVCXDHPBFSJIQ-MXWKQRLJSA-N 2 0 271.361 -0.467 20 0 CBADRP Cc1n[nH]c(C)c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869089 825515017 /nfs/dbraw/zinc/51/50/17/825515017.db2.gz JVAWHDRILBQKCL-UHFFFAOYSA-N 2 0 280.420 -0.389 20 0 CBADRP c1cncc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235868154 825515295 /nfs/dbraw/zinc/51/52/95/825515295.db2.gz BEUYKOKKZQLZPH-UHFFFAOYSA-N 2 0 263.389 -0.334 20 0 CBADRP COc1ncc(CN2CC[NH2+]CCNCC[NH2+]CC2)cn1 ZINC001235868976 825515334 /nfs/dbraw/zinc/51/53/34/825515334.db2.gz HTBQUBRCWKMIJM-UHFFFAOYSA-N 2 0 294.403 -0.930 20 0 CBADRP C(C1CC[NH2+]CC1)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235864427 825515681 /nfs/dbraw/zinc/51/56/81/825515681.db2.gz GNVLQDRDQQPUQR-UHFFFAOYSA-N 3 0 269.437 -0.930 20 0 CBADRP C([C@@H]1CCOC1)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235864090 825515771 /nfs/dbraw/zinc/51/57/71/825515771.db2.gz CHCMFKVWZOBYGF-ZDUSSCGKSA-N 2 0 256.394 -0.893 20 0 CBADRP Cc1nnc(CN2CC[NH2+]CCNCC[NH2+]CC2)s1 ZINC001235871800 825516281 /nfs/dbraw/zinc/51/62/81/825516281.db2.gz ZAQLVBYUXPVSBY-UHFFFAOYSA-N 2 0 284.433 -0.569 20 0 CBADRP Cc1ccnc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235871103 825516563 /nfs/dbraw/zinc/51/65/63/825516563.db2.gz TWEQZAVCVRFOMQ-UHFFFAOYSA-N 2 0 277.416 -0.026 20 0 CBADRP COc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cn1 ZINC001235870223 825516767 /nfs/dbraw/zinc/51/67/67/825516767.db2.gz GUSVPHHYANIGPX-UHFFFAOYSA-N 2 0 293.415 -0.325 20 0 CBADRP C(c1[nH]nc2c1CCC2)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870607 825516901 /nfs/dbraw/zinc/51/69/01/825516901.db2.gz KWAOAEPQXGTRNF-UHFFFAOYSA-N 2 0 292.431 -0.517 20 0 CBADRP Oc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001235871911 825517059 /nfs/dbraw/zinc/51/70/59/825517059.db2.gz YNSGKSDVVTZTRA-UHFFFAOYSA-N 2 0 278.400 -0.023 20 0 CBADRP CC1(C)NC[C@@H](C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)O1 ZINC001235927514 825518557 /nfs/dbraw/zinc/51/85/57/825518557.db2.gz IJJDGPNSPKMMEO-DCAQKATOSA-N 2 0 253.346 -0.221 20 0 CBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@H](C)[NH3+])C[C@H]1C2 ZINC001236024118 825519618 /nfs/dbraw/zinc/51/96/18/825519618.db2.gz VYPPDCOHWDMPLZ-XJGUIPMBSA-N 3 0 267.373 -0.336 20 0 CBADRP CCOC(=O)[C@]12CN(CC[NH2+]C)C[C@H]1C[NH2+]CC2 ZINC001236038329 825521580 /nfs/dbraw/zinc/52/15/80/825521580.db2.gz PGBMGXJTMFRQNB-DGCLKSJQSA-N 2 0 255.362 -0.320 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1CC[C@H]1CCC[NH2+]C1 ZINC001236052646 825521727 /nfs/dbraw/zinc/52/17/27/825521727.db2.gz CLACUYANGKGZFZ-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1CC1CC[NH+](C)CC1 ZINC001236197563 825524391 /nfs/dbraw/zinc/52/43/91/825524391.db2.gz RWBSQLGNXHTTGK-RYUDHWBXSA-N 2 0 255.362 -0.097 20 0 CBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@H]1CCCC[NH2+]1 ZINC001236307304 825527276 /nfs/dbraw/zinc/52/72/76/825527276.db2.gz AIQNXKBEHCEYLA-CYBMUJFWSA-N 3 0 285.436 -0.756 20 0 CBADRP COC(=O)[C@H]1CN(C[C@H]([NH3+])Cc2ccccc2)C[C@H]1[NH3+] ZINC001236345851 825527709 /nfs/dbraw/zinc/52/77/09/825527709.db2.gz VMIMQSBQOQRBPF-HZSPNIEDSA-N 2 0 277.368 -0.012 20 0 CBADRP C[C@H]([NH3+])CN(CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236399205 825532707 /nfs/dbraw/zinc/53/27/07/825532707.db2.gz NIQVEZPCAGMJEE-AWEZNQCLSA-N 2 0 284.448 -0.033 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(CCCC[NH3+])CC2 ZINC001237066159 825533440 /nfs/dbraw/zinc/53/34/40/825533440.db2.gz XLOZEZVQRNDZGQ-AAEUAGOBSA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH+]1CCN(c2ccc(NS(=O)(=O)CC[NH3+])nc2)CC1 ZINC001237471899 825534510 /nfs/dbraw/zinc/53/45/10/825534510.db2.gz QTVXFOKZBBXAJE-UHFFFAOYSA-N 2 0 299.400 -0.466 20 0 CBADRP Cn1cc(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)c(=O)n(C)c1=O ZINC001237405912 825534680 /nfs/dbraw/zinc/53/46/80/825534680.db2.gz SJBHSSGCEKAWBL-WCQYABFASA-N 2 0 292.383 -0.342 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001238017713 825544646 /nfs/dbraw/zinc/54/46/46/825544646.db2.gz KTERVFGTQPYXMR-LDYMZIIASA-N 2 0 283.353 -0.165 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1ccccc1CN1CC[NH2+]CC1 ZINC001237956083 825544627 /nfs/dbraw/zinc/54/46/27/825544627.db2.gz VGEPKPVWCZZLDP-UHFFFAOYSA-N 2 0 298.412 -0.208 20 0 CBADRP C[C@@H]1CC[C@H](CNS(=O)(=O)[C@@H]2CC[NH2+]C2)C[NH2+]1 ZINC001238069233 825546847 /nfs/dbraw/zinc/54/68/47/825546847.db2.gz XEPPJQQRPMHAOD-OUAUKWLOSA-N 2 0 261.391 -0.344 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNS(=O)(=O)C2CC[NH2+]CC2)C1 ZINC001238109940 825547146 /nfs/dbraw/zinc/54/71/46/825547146.db2.gz OMHBQSSJPHTAPI-MNOVXSKESA-N 2 0 275.418 -0.097 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1CNS(=O)(=O)[C@H]1CC[NH2+]C1 ZINC001238164196 825548176 /nfs/dbraw/zinc/54/81/76/825548176.db2.gz JGAUXQGOSQPMNO-AXFHLTTASA-N 2 0 261.391 -0.344 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1CNS(=O)(=O)C1CC[NH2+]CC1 ZINC001238169565 825548821 /nfs/dbraw/zinc/54/88/21/825548821.db2.gz LGAFDTATEPCNEJ-QWRGUYRKSA-N 2 0 275.418 -0.097 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1CNS(=O)(=O)[C@H]1CC[NH2+]C1 ZINC001238181131 825548974 /nfs/dbraw/zinc/54/89/74/825548974.db2.gz FCWGERDEMQFRBH-VWYCJHECSA-N 2 0 261.391 -0.487 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NCC1(F)CC[NH2+]CC1 ZINC001238227426 825549555 /nfs/dbraw/zinc/54/95/55/825549555.db2.gz RQLGIHVABOCABQ-UHFFFAOYSA-N 2 0 293.408 -0.003 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001238288420 825550553 /nfs/dbraw/zinc/55/05/53/825550553.db2.gz HSZBDJJPWFIMFF-GDNZZTSVSA-N 2 0 273.402 -0.629 20 0 CBADRP CC[NH+](CC)CCCCNS(=O)(=O)CC[NH3+] ZINC001238367983 825553420 /nfs/dbraw/zinc/55/34/20/825553420.db2.gz UCSZQVHJCZVTPV-UHFFFAOYSA-N 2 0 251.396 -0.014 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@H]1C[NH2+]CC[C@@H]1F ZINC001238504302 825554134 /nfs/dbraw/zinc/55/41/34/825554134.db2.gz KXVFPLAUTPJRIC-NEPJUHHUSA-N 2 0 293.408 -0.147 20 0 CBADRP [NH3+]CCS(=O)(=O)NC1CC[NH+](C2CCC2)CC1 ZINC001238594210 825556501 /nfs/dbraw/zinc/55/65/01/825556501.db2.gz DVUXFIKSAUQYBU-UHFFFAOYSA-N 2 0 261.391 -0.119 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@@H]([NH3+])Cc1ccccc1 ZINC001238656916 825561287 /nfs/dbraw/zinc/56/12/87/825561287.db2.gz OARRGHZEKWIOBH-NSHDSACASA-N 2 0 257.359 -0.566 20 0 CBADRP [NH3+]CCS(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001238759901 825563461 /nfs/dbraw/zinc/56/34/61/825563461.db2.gz DNGBSUKHPUEXOT-RNFRBKRXSA-N 2 0 275.296 -0.595 20 0 CBADRP [NH3+]CCS(=O)(=O)NCCc1ccc(C[NH3+])cc1 ZINC001238889527 825570116 /nfs/dbraw/zinc/57/01/16/825570116.db2.gz GYSGMLFHIMCEFZ-UHFFFAOYSA-N 2 0 257.359 -0.434 20 0 CBADRP COc1cccc([C@H](C[NH3+])NS(=O)(=O)CC[NH3+])c1 ZINC001238914271 825570638 /nfs/dbraw/zinc/57/06/38/825570638.db2.gz ZZKWJYYUQPKLLY-NSHDSACASA-N 2 0 273.358 -0.427 20 0 CBADRP [NH3+]C1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC001238917519 825572757 /nfs/dbraw/zinc/57/27/57/825572757.db2.gz LHCLJQHSDSETOA-UHFFFAOYSA-N 2 0 261.391 -0.261 20 0 CBADRP C[C@]1([NH3+])CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001238920595 825572908 /nfs/dbraw/zinc/57/29/08/825572908.db2.gz ACFGIGULDYXBHU-NSHDSACASA-N 2 0 261.391 -0.261 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001238955878 825576913 /nfs/dbraw/zinc/57/69/13/825576913.db2.gz WHRNYUDDXGOLRT-ZETCQYMHSA-N 2 0 257.306 -0.809 20 0 CBADRP [NH3+]C[C@H]1CN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CCC1(F)F ZINC001238953774 825577704 /nfs/dbraw/zinc/57/77/04/825577704.db2.gz RHDOSAWXXWQSOQ-DTWKUNHWSA-N 2 0 283.344 -0.406 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCCC[C@](F)(C[NH3+])C1 ZINC001238968445 825578550 /nfs/dbraw/zinc/57/85/50/825578550.db2.gz ISKPFTXNMPGEKZ-VIFPVBQESA-N 2 0 253.343 -0.572 20 0 CBADRP C[C@@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC[NH2+]1 ZINC001238987795 825580573 /nfs/dbraw/zinc/58/05/73/825580573.db2.gz GYYUEMFFRSINJQ-LLVKDONJSA-N 2 0 275.418 0.000 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001239059115 825583705 /nfs/dbraw/zinc/58/37/05/825583705.db2.gz UINPKDOFSBWBOF-NEPJUHHUSA-N 2 0 273.402 -0.248 20 0 CBADRP [NH3+][C@H]1[C@H]2CN(S(=O)(=O)CC3CC[NH2+]CC3)C[C@@H]12 ZINC001239058772 825583872 /nfs/dbraw/zinc/58/38/72/825583872.db2.gz NJJGYEPERPIHNZ-JGPRNRPPSA-N 2 0 259.375 -0.795 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001239040871 825583895 /nfs/dbraw/zinc/58/38/95/825583895.db2.gz JURXIFVETXPDSN-UHFFFAOYSA-N 2 0 261.391 -0.260 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001239073430 825584849 /nfs/dbraw/zinc/58/48/49/825584849.db2.gz MZQLCLQMRSACHL-VHSXEESVSA-N 2 0 265.354 -0.702 20 0 CBADRP [NH3+][C@]12C[C@H]1CN(S(=O)(=O)CC1CC[NH2+]CC1)C2 ZINC001239044819 825584017 /nfs/dbraw/zinc/58/40/17/825584017.db2.gz DZKYYOYZSWCTFY-QWRGUYRKSA-N 2 0 259.375 -0.651 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@H](C2C[NH2+]C2)C1 ZINC001239064412 825585067 /nfs/dbraw/zinc/58/50/67/825585067.db2.gz KKAWEHVKUJTETG-LBPRGKRZSA-N 2 0 287.429 -0.143 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001239085228 825586071 /nfs/dbraw/zinc/58/60/71/825586071.db2.gz UFUOLRRVGQCJKU-UHFFFAOYSA-N 2 0 275.418 -0.014 20 0 CBADRP CN(C[C@H]1CC[NH2+]C1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239091243 825586724 /nfs/dbraw/zinc/58/67/24/825586724.db2.gz HHFMWUDPVSEBJL-LBPRGKRZSA-N 2 0 275.418 -0.143 20 0 CBADRP [NH3+]CCS(=O)(=O)N1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001239099617 825587492 /nfs/dbraw/zinc/58/74/92/825587492.db2.gz QQMCKLVYROCLCO-RQJHMYQMSA-N 2 0 275.296 -0.514 20 0 CBADRP [NH3+]CCC1CN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001239099405 825587581 /nfs/dbraw/zinc/58/75/81/825587581.db2.gz QUTQOHCIILRUEK-UHFFFAOYSA-N 2 0 261.391 -0.404 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2C[NH2+]C[C@H]21 ZINC001239130924 825591815 /nfs/dbraw/zinc/59/18/15/825591815.db2.gz OSKMRSARSRCFJE-GHMZBOCLSA-N 2 0 259.375 -0.781 20 0 CBADRP O=S(=O)(C1CC[NH2+]CC1)N1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001239131339 825592262 /nfs/dbraw/zinc/59/22/62/825592262.db2.gz DBLXAPPZYGGIMB-TXEJJXNPSA-N 2 0 287.429 0.000 20 0 CBADRP O=S(=O)([C@H]1CC[NH2+]C1)N1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001239132554 825592359 /nfs/dbraw/zinc/59/23/59/825592359.db2.gz JFIGPMVKQBWMHF-TUAOUCFPSA-N 2 0 273.402 -0.391 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001239136800 825592862 /nfs/dbraw/zinc/59/28/62/825592862.db2.gz MRFCYQJXNJRCRZ-RNFRBKRXSA-N 2 0 275.296 -0.514 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCN2CC[C@@H]2C1 ZINC001239166705 825594859 /nfs/dbraw/zinc/59/48/59/825594859.db2.gz BLNAIFIGKDESNZ-GFCCVEGCSA-N 2 0 273.402 -0.294 20 0 CBADRP [NH3+]CCS(=O)(=O)N(Cc1ccccn1)C1CC[NH2+]CC1 ZINC001239146084 825595249 /nfs/dbraw/zinc/59/52/49/825595249.db2.gz SUXNPWMLLKEFBC-UHFFFAOYSA-N 2 0 298.412 -0.076 20 0 CBADRP CC[NH+](CC)C[C@@H]1CN(S(=O)(=O)CC[NH3+])CCO1 ZINC001239171339 825595587 /nfs/dbraw/zinc/59/55/87/825595587.db2.gz VNIXZXIYEZBZFW-LLVKDONJSA-N 2 0 279.406 -0.683 20 0 CBADRP C[NH+](C)CCNC(=S)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239364344 825600093 /nfs/dbraw/zinc/60/00/93/825600093.db2.gz ZPRDAIOXNGDOLR-GFCCVEGCSA-N 3 0 299.488 -0.114 20 0 CBADRP COCCNC(=S)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239363307 825600198 /nfs/dbraw/zinc/60/01/98/825600198.db2.gz MPDHJVYRGUPBMU-NSHDSACASA-N 2 0 286.445 -0.029 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=S)NCC[NH+](C)C ZINC001239388989 825601546 /nfs/dbraw/zinc/60/15/46/825601546.db2.gz PDVDGJVFTMZGCG-VIFPVBQESA-N 2 0 276.406 -0.707 20 0 CBADRP S=C(NCC[NH+]1CCCCC1)NC[C@H]1C[NH2+]CCN1 ZINC001239399779 825602625 /nfs/dbraw/zinc/60/26/25/825602625.db2.gz NQTFTLAQUGAWPE-GFCCVEGCSA-N 2 0 285.461 -0.502 20 0 CBADRP c1nn(C2C[NH2+]C2)cc1-c1nccc(N2CC[NH2+]CC2)n1 ZINC001241588935 825607867 /nfs/dbraw/zinc/60/78/67/825607867.db2.gz FEBIZBMKYLZCBK-UHFFFAOYSA-N 2 0 285.355 -0.106 20 0 CBADRP [NH3+]Cc1ncc(-c2cnc(N3CC[NH2+]CC3)nc2)cn1 ZINC001241899380 825609372 /nfs/dbraw/zinc/60/93/72/825609372.db2.gz VZTCDDVASMABLJ-UHFFFAOYSA-N 2 0 271.328 -0.198 20 0 CBADRP OC1(C[NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)CCOCC1 ZINC001245972156 825615937 /nfs/dbraw/zinc/61/59/37/825615937.db2.gz HPUREJJOGMYQSR-CMPLNLGQSA-N 2 0 262.325 -0.820 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CNC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001245971687 825616039 /nfs/dbraw/zinc/61/60/39/825616039.db2.gz GVMYSZUNFYURLX-RWMBFGLXSA-N 2 0 277.384 -0.659 20 0 CBADRP O[C@H](CN[C@H]1CC[NH2+]C[C@H]1F)CC1(O)CC[NH2+]CC1 ZINC001245973981 825616065 /nfs/dbraw/zinc/61/60/65/825616065.db2.gz LUEBLPSZMYWXAK-TUAOUCFPSA-N 2 0 275.368 -0.859 20 0 CBADRP CC(C)OC[C@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001245972957 825616325 /nfs/dbraw/zinc/61/63/25/825616325.db2.gz IYJDUMGLXQVWCE-GRYCIOLGSA-N 2 0 264.341 -0.576 20 0 CBADRP C[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)CC2(O)CC[NH2+]CC2)C[NH2+]1 ZINC001245977537 825616425 /nfs/dbraw/zinc/61/64/25/825616425.db2.gz WRIJRJQCGBABKX-HZSPNIEDSA-N 3 0 285.432 -0.170 20 0 CBADRP CCOC[C@@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001245971776 825616880 /nfs/dbraw/zinc/61/68/80/825616880.db2.gz HERPYZRXVHQPTK-GARJFASQSA-N 2 0 250.314 -0.964 20 0 CBADRP CCOC[C@H](O)C[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001245992291 825618124 /nfs/dbraw/zinc/61/81/24/825618124.db2.gz YRWFYXIQYATMSV-CYBMUJFWSA-N 2 0 257.378 -0.590 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+]C[C@H](O)CN1CCOCC1 ZINC001245984543 825618563 /nfs/dbraw/zinc/61/85/63/825618563.db2.gz QRPZRYPMGAZMKQ-MCIONIFRSA-N 2 0 271.405 -0.485 20 0 CBADRP O[C@H](CN[C@@H]1C[NH2+]CC[C@@H]1F)CC1(O)CC[NH2+]CC1 ZINC001246011541 825620676 /nfs/dbraw/zinc/62/06/76/825620676.db2.gz IMMPTCRAEZSVBM-SDDRHHMPSA-N 2 0 275.368 -0.859 20 0 CBADRP O[C@H](CN1CCC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246015267 825620716 /nfs/dbraw/zinc/62/07/16/825620716.db2.gz VAROPFPTSJMTDR-LBPRGKRZSA-N 2 0 257.378 -0.853 20 0 CBADRP C[C@@]1([NH3+])CCN(C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246014542 825621099 /nfs/dbraw/zinc/62/10/99/825621099.db2.gz OSRWTYKZCNLDFT-VXGBXAGGSA-N 2 0 257.378 -0.725 20 0 CBADRP CCCOC[C@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246008996 825621138 /nfs/dbraw/zinc/62/11/38/825621138.db2.gz QRQWQTJYLYKCMH-MNOVXSKESA-N 2 0 261.366 -0.654 20 0 CBADRP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246015243 825621173 /nfs/dbraw/zinc/62/11/73/825621173.db2.gz YDYDQDXQQWBJPP-UPJWGTAASA-N 3 0 271.405 -0.289 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNC[C@H]1C[NH2+]CCN1 ZINC001246015558 825621210 /nfs/dbraw/zinc/62/12/10/825621210.db2.gz PHZXWDFNIVRCTG-QLFBSQMISA-N 2 0 278.400 -0.932 20 0 CBADRP C[C@@H]1CC[N@H+](C[C@H](O)CN2CCOCC2)CC[C@@H]1C[NH3+] ZINC001246020283 825622094 /nfs/dbraw/zinc/62/20/94/825622094.db2.gz KJLCRJAMGYCHMK-KFWWJZLASA-N 2 0 285.432 -0.014 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246018419 825622618 /nfs/dbraw/zinc/62/26/18/825622618.db2.gz DQCXCVWQXKAPJA-KBPBESRZSA-N 3 0 273.421 -0.135 20 0 CBADRP C[C@]1([NH3+])CCC[N@H+](C[C@H](O)CN2CCOCC2)CC1 ZINC001246021587 825623666 /nfs/dbraw/zinc/62/36/66/825623666.db2.gz ODDNPPDPZAMAHY-KBPBESRZSA-N 2 0 271.405 -0.117 20 0 CBADRP [NH3+][C@@H]1C[C@H](F)CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246024524 825623723 /nfs/dbraw/zinc/62/37/23/825623723.db2.gz UNWUQNUUQMUUHF-TUAOUCFPSA-N 2 0 275.368 -0.777 20 0 CBADRP CC(C)OC[C@H](O)C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246023593 825624003 /nfs/dbraw/zinc/62/40/03/825624003.db2.gz SGLWMZIFMDZRMW-CHWSQXEVSA-N 2 0 260.378 -0.052 20 0 CBADRP [NH3+][C@@H]1C[C@@H](F)CN(C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246024522 825624279 /nfs/dbraw/zinc/62/42/79/825624279.db2.gz UNWUQNUUQMUUHF-IJLUTSLNSA-N 2 0 275.368 -0.777 20 0 CBADRP [NH3+]C[C@@]1(O)CCCC[N@H+](CC2(O)CC[NH2+]CC2)C1 ZINC001246024796 825624199 /nfs/dbraw/zinc/62/41/99/825624199.db2.gz RDOCTYLZBNSQBE-ZDUSSCGKSA-N 3 0 257.378 -0.723 20 0 CBADRP CC(C)OC[C@@H](O)C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246027930 825625333 /nfs/dbraw/zinc/62/53/33/825625333.db2.gz YXQPSVPBMUQPTM-QWHCGFSZSA-N 2 0 260.378 -0.052 20 0 CBADRP O[C@@]1(CN2CC[NH2+]C[C@]3(CCCCN3)C2)CCC[NH2+]C1 ZINC001246026735 825625613 /nfs/dbraw/zinc/62/56/13/825625613.db2.gz ITMKHFLUOSVELV-CABCVRRESA-N 2 0 282.432 -0.482 20 0 CBADRP [NH3+][C@@H]1CC[N@H+](C[C@@H](O)CN2CCOCC2)CC[C@H]1F ZINC001246025562 825625622 /nfs/dbraw/zinc/62/56/22/825625622.db2.gz CIVPYHWSCLPGHP-JHJVBQTASA-N 2 0 275.368 -0.559 20 0 CBADRP [NH3+][C@@H]1CC[N@H+](C[C@H](O)CN2CCOCC2)CC[C@@H]1F ZINC001246025565 825625770 /nfs/dbraw/zinc/62/57/70/825625770.db2.gz CIVPYHWSCLPGHP-RWMBFGLXSA-N 2 0 275.368 -0.559 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN1CCNC2(CC[NH2+]CC2)C1 ZINC001246027498 825626058 /nfs/dbraw/zinc/62/60/58/825626058.db2.gz HKUKYYCMLPGOFR-AWEZNQCLSA-N 2 0 284.448 -0.284 20 0 CBADRP C[C@@H]1CN(C[C@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001246030717 825627172 /nfs/dbraw/zinc/62/71/72/825627172.db2.gz OEBRZAHGVFZVDG-IJLUTSLNSA-N 3 0 257.378 -0.869 20 0 CBADRP CCCCOC[C@@H](O)CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246030454 825628045 /nfs/dbraw/zinc/62/80/45/825628045.db2.gz YKDVMPWEPWFQHR-KBPBESRZSA-N 2 0 271.405 -0.199 20 0 CBADRP CCCCOC[C@H](O)CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246030460 825627886 /nfs/dbraw/zinc/62/78/86/825627886.db2.gz YKDVMPWEPWFQHR-KGLIPLIRSA-N 2 0 271.405 -0.199 20 0 CBADRP CCCOC[C@@H](O)C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246043306 825629415 /nfs/dbraw/zinc/62/94/15/825629415.db2.gz BKPVCVYOUVBBMD-FXJUQPSGSA-N 2 0 258.362 -0.321 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001246053425 825630475 /nfs/dbraw/zinc/63/04/75/825630475.db2.gz OMHWDVIHMMBZNQ-BYNSBNAKSA-N 2 0 261.369 -0.179 20 0 CBADRP O[C@@H](CN1CC[NH2+]CCNCC[NH2+]CC1)c1ccccc1 ZINC001246053020 825630805 /nfs/dbraw/zinc/63/08/05/825630805.db2.gz GSYGUELQIAVPCX-INIZCTEOSA-N 2 0 292.427 -0.196 20 0 CBADRP C[C@@H]1CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C[C@@H](C)[NH2+]1 ZINC001246068044 825632918 /nfs/dbraw/zinc/63/29/18/825632918.db2.gz GLBRQPSNXPHRDK-UPJWGTAASA-N 2 0 271.405 -0.466 20 0 CBADRP CC(=O)N1CCC([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)CC1 ZINC001246081910 825633417 /nfs/dbraw/zinc/63/34/17/825633417.db2.gz JXYWMEHGUSLNMK-QWHCGFSZSA-N 2 0 273.352 -0.351 20 0 CBADRP CC(=O)N1CC[C@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001246082856 825633605 /nfs/dbraw/zinc/63/36/05/825633605.db2.gz MVUIIUHUZJPBSG-SDDRHHMPSA-N 2 0 259.325 -0.741 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC2(C(N)=O)CCOCC2)CC[NH2+]1 ZINC001246093536 825634468 /nfs/dbraw/zinc/63/44/68/825634468.db2.gz JESFQUAJXZYYSE-MNOVXSKESA-N 2 0 255.362 -0.001 20 0 CBADRP O=C1CC[C@H]2C[C@@H]([NH2+]C[C@]3(O)CC[NH2+]C[C@@H]3F)CCN12 ZINC001246088046 825634773 /nfs/dbraw/zinc/63/47/73/825634773.db2.gz IDYMIDCXZOWMAM-ZJQBRPOHSA-N 2 0 285.363 -0.208 20 0 CBADRP CN1CCO[C@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246102982 825636274 /nfs/dbraw/zinc/63/62/74/825636274.db2.gz RNHGKLYDAHEYFM-VXGBXAGGSA-N 2 0 254.378 -0.999 20 0 CBADRP CCOC(=O)c1c(C[NH3+])ncn1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246097668 825636311 /nfs/dbraw/zinc/63/63/11/825636311.db2.gz ZVIMTRGERCCQEH-SNVBAGLBSA-N 2 0 293.371 -0.215 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246128374 825637563 /nfs/dbraw/zinc/63/75/63/825637563.db2.gz BZBDXJHZZSSIJZ-UONOGXRCSA-N 3 0 294.443 -0.029 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246135723 825638495 /nfs/dbraw/zinc/63/84/95/825638495.db2.gz CGFKBMIGMFKNCZ-KVSVUVNWSA-N 2 0 267.373 -0.275 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)O2)CN1 ZINC001246129448 825638713 /nfs/dbraw/zinc/63/87/13/825638713.db2.gz DKJBEMGWJKIBBI-XQQFMLRXSA-N 2 0 297.399 -0.219 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2COC3(C[NH2+]C3)C2)CN1 ZINC001246136024 825638980 /nfs/dbraw/zinc/63/89/80/825638980.db2.gz QXDUGHAFSZNAFR-UTUOFQBUSA-N 2 0 283.372 -0.752 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(NC2CCC3(CC2)C[NH2+]CCO3)N1 ZINC001246140766 825639910 /nfs/dbraw/zinc/63/99/10/825639910.db2.gz BRUWKCSKSHYDEI-UWNPBFMXSA-N 2 0 294.399 -0.545 20 0 CBADRP C([NH2+][C@@H]1CCCNC1)[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001246141142 825640192 /nfs/dbraw/zinc/64/01/92/825640192.db2.gz COHMVANPWXOSMU-MJBXVCDLSA-N 2 0 269.389 -0.277 20 0 CBADRP C(C[C@@H]1CCOC12C[NH2+]C2)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246140073 825640295 /nfs/dbraw/zinc/64/02/95/825640295.db2.gz YSOFGTIXTPGYTG-CHWSQXEVSA-N 3 0 280.416 -0.561 20 0 CBADRP C(C[C@H]1CCOC12C[NH2+]C2)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246140097 825640450 /nfs/dbraw/zinc/64/04/50/825640450.db2.gz YSOFGTIXTPGYTG-QWHCGFSZSA-N 3 0 280.416 -0.561 20 0 CBADRP C[C@@H]1CC[C@@H](N[C@H]2CCS(=O)(=O)C23C[NH2+]C3)C[NH2+]1 ZINC001246140202 825640493 /nfs/dbraw/zinc/64/04/93/825640493.db2.gz GADBJAHQDMDYCM-MXWKQRLJSA-N 2 0 273.402 -0.754 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246149567 825640931 /nfs/dbraw/zinc/64/09/31/825640931.db2.gz KCUHQKJUZZFVLD-IEECTRCBSA-N 2 0 283.372 -0.896 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1CO[C@]3(CC[NH2+]C3)C1)CCN2 ZINC001246148939 825640943 /nfs/dbraw/zinc/64/09/43/825640943.db2.gz BBVBNGCEFXPBDN-OUCADQQQSA-N 3 0 266.389 -0.809 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H]3[NH2+]CCO[C@H]23)CN1 ZINC001246148556 825641522 /nfs/dbraw/zinc/64/15/22/825641522.db2.gz FNURYYKDGRCDOR-PJSNJIKXSA-N 2 0 283.372 -0.754 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)CN1 ZINC001246148009 825641565 /nfs/dbraw/zinc/64/15/65/825641565.db2.gz DDVWONNLPSIULW-PEDHHIEDSA-N 2 0 297.399 -0.363 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@H]1CC[C@@H]3NCCO[C@H]31)CCN2 ZINC001246153087 825642081 /nfs/dbraw/zinc/64/20/81/825642081.db2.gz VYXXZINIIDUFSG-MROQNXINSA-N 2 0 266.389 -0.811 20 0 CBADRP COCCC[NH+]1CCC(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)CC1 ZINC001246153943 825642259 /nfs/dbraw/zinc/64/22/59/825642259.db2.gz STMLPNMWXDHKTD-HIFRSBDPSA-N 2 0 296.415 -0.345 20 0 CBADRP C([NH2+][C@@H]1CCOC2(C[NH2+]C2)C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246150569 825642428 /nfs/dbraw/zinc/64/24/28/825642428.db2.gz WLPTWXGIVWKKNV-KGLIPLIRSA-N 3 0 294.443 -0.029 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001246156717 825643175 /nfs/dbraw/zinc/64/31/75/825643175.db2.gz NPGJGUFEZPZJNO-FMKPAKJESA-N 3 0 294.443 -0.171 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)N1 ZINC001246155104 825643219 /nfs/dbraw/zinc/64/32/19/825643219.db2.gz XOUZTETUDQSUCO-ILOGHGLZSA-N 2 0 264.373 -0.173 20 0 CBADRP C[NH2+]C1CCC(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)CC1 ZINC001246154612 825643284 /nfs/dbraw/zinc/64/32/84/825643284.db2.gz VQSNNVCBFBEAJE-KMFOADKKSA-N 2 0 252.362 -0.315 20 0 CBADRP C[NH2+]C1CCC(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)CC1 ZINC001246154613 825643457 /nfs/dbraw/zinc/64/34/57/825643457.db2.gz VQSNNVCBFBEAJE-TWHWIZHFSA-N 2 0 252.362 -0.315 20 0 CBADRP CC1(C)C[C@H](N[C@]23CC[NH2+][C@H]2CC(=O)N3)CC[NH2+]1 ZINC001246155027 825643482 /nfs/dbraw/zinc/64/34/82/825643482.db2.gz WLBBIRDHHNDSKJ-NRUUGDAUSA-N 2 0 252.362 -0.315 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CO[C@]3(CC[NH2+]C3)C2)CN1 ZINC001246155445 825643539 /nfs/dbraw/zinc/64/35/39/825643539.db2.gz YKOZUVPGQLMPJH-ZJQBRPOHSA-N 2 0 283.372 -0.609 20 0 CBADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@]13CC[NH2+][C@H]1CC(=O)N3)C2 ZINC001246155051 825643728 /nfs/dbraw/zinc/64/37/28/825643728.db2.gz WUZNOCNNMXBAIM-ZUDIRPEPSA-N 2 0 264.373 -0.221 20 0 CBADRP O=C([C@@H]1C[C@H](NC[C@@H]2CCCC[NH2+]2)C[NH2+]1)N1CCSC1 ZINC001246172228 825644330 /nfs/dbraw/zinc/64/43/30/825644330.db2.gz ZWKPKSQNIHPPPT-AVGNSLFASA-N 2 0 298.456 -0.019 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@@H]1COC3(C1)CC[NH2+]CC3)CCN2 ZINC001246168444 825644882 /nfs/dbraw/zinc/64/48/82/825644882.db2.gz DECJPYOUSNVPSZ-STQMWFEESA-N 3 0 280.416 -0.419 20 0 CBADRP CC(=O)N1CCC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246174978 825645906 /nfs/dbraw/zinc/64/59/06/825645906.db2.gz ZCNCAJKJZFLRTG-CYBMUJFWSA-N 2 0 266.389 -0.319 20 0 CBADRP O=C(C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)N1CCCCC1 ZINC001246183257 825647471 /nfs/dbraw/zinc/64/74/71/825647471.db2.gz WJTDNOOTPXAALI-LBPRGKRZSA-N 2 0 266.389 -0.318 20 0 CBADRP CN1CC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246184192 825647485 /nfs/dbraw/zinc/64/74/85/825647485.db2.gz JRQOMQXTODEWMY-WDEREUQCSA-N 2 0 252.362 -0.709 20 0 CBADRP NC(=O)C1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCCC1 ZINC001246186821 825648082 /nfs/dbraw/zinc/64/80/82/825648082.db2.gz KIOZQIXXSOCGJW-SNVBAGLBSA-N 2 0 252.362 -0.532 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CCOCCOCCOCCO)CC[NH2+]1 ZINC001246203746 825649137 /nfs/dbraw/zinc/64/91/37/825649137.db2.gz YHHWOQSKBLJNAS-KGLIPLIRSA-N 2 0 290.404 -0.241 20 0 CBADRP COC(=O)CCC(=O)C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246211425 825650550 /nfs/dbraw/zinc/65/05/50/825650550.db2.gz JSHIRNWJBSPHDJ-JTQLQIEISA-N 2 0 269.345 -0.808 20 0 CBADRP CCCN(CC[NH3+])[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246207574 825650825 /nfs/dbraw/zinc/65/08/25/825650825.db2.gz AYSRLCKUZMMHTI-RYUDHWBXSA-N 2 0 286.445 -0.080 20 0 CBADRP CS(=O)(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246214512 825651816 /nfs/dbraw/zinc/65/18/16/825651816.db2.gz IOSZEYOXVOXQRO-MXWKQRLJSA-N 2 0 273.402 -0.754 20 0 CBADRP O=C1CC[C@@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CN1 ZINC001246216981 825651854 /nfs/dbraw/zinc/65/18/54/825651854.db2.gz CRRIOGUTIMZXLG-WDEREUQCSA-N 2 0 252.362 -0.804 20 0 CBADRP CCOC(=O)[C@H](CCC[NH3+])N[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246212656 825652282 /nfs/dbraw/zinc/65/22/82/825652282.db2.gz WTWZPSLEXVVKCX-RYUDHWBXSA-N 2 0 284.404 -0.659 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]CC2)CN1 ZINC001246226985 825652629 /nfs/dbraw/zinc/65/26/29/825652629.db2.gz SOGUIAXGRYUKGV-UTUOFQBUSA-N 2 0 255.362 -0.131 20 0 CBADRP FC1(F)CNCC[C@@H]1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246225268 825653056 /nfs/dbraw/zinc/65/30/56/825653056.db2.gz BIHVPZHNWYLCJN-GHMZBOCLSA-N 2 0 274.359 -0.085 20 0 CBADRP F[C@@H]1CC[NH2+]C[C@H]1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246220728 825653511 /nfs/dbraw/zinc/65/35/11/825653511.db2.gz HQMTWHACNWKQKU-SDDRHHMPSA-N 3 0 256.369 -0.382 20 0 CBADRP CC(C)C[C@@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246231108 825654310 /nfs/dbraw/zinc/65/43/10/825654310.db2.gz CEXKBHJCRNESRZ-GHMZBOCLSA-N 2 0 254.378 -0.430 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CN1 ZINC001246229945 825654457 /nfs/dbraw/zinc/65/44/57/825654457.db2.gz KCGUJOCOAVNZEZ-SRVKXCTJSA-N 2 0 255.362 -0.131 20 0 CBADRP CC(=O)N1CCC(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246241219 825655043 /nfs/dbraw/zinc/65/50/43/825655043.db2.gz YKGAOQFJXWPEBC-AWEZNQCLSA-N 2 0 280.416 -0.072 20 0 CBADRP CC[C@H](C)[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246242294 825655499 /nfs/dbraw/zinc/65/54/99/825655499.db2.gz DAJLAXLXTJFAOJ-AXFHLTTASA-N 2 0 254.378 -0.430 20 0 CBADRP CC[NH+](CC)CCN(CC[NH3+])[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246240784 825655565 /nfs/dbraw/zinc/65/55/65/825655565.db2.gz OLBOVXAZIWWJHV-CQSZACIVSA-N 3 0 283.464 -0.317 20 0 CBADRP CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246240668 825655635 /nfs/dbraw/zinc/65/56/35/825655635.db2.gz SXDJYLYTALBFBW-UONOGXRCSA-N 2 0 280.416 -0.072 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@@H]1CCOC3(CC[NH2+]CC3)C1)CCN2 ZINC001246258671 825656609 /nfs/dbraw/zinc/65/66/09/825656609.db2.gz XZUQGGPPIXJSHA-UONOGXRCSA-N 3 0 294.443 -0.029 20 0 CBADRP CC(C)CNC(=O)C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246254519 825656759 /nfs/dbraw/zinc/65/67/59/825656759.db2.gz IISUENSAYDIMDO-NSHDSACASA-N 2 0 254.378 -0.558 20 0 CBADRP C1OCC1N1CCC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246259582 825657128 /nfs/dbraw/zinc/65/71/28/825657128.db2.gz INZKOMMOWQTLJX-CYBMUJFWSA-N 2 0 280.416 -0.467 20 0 CBADRP CC(C)CNC(=O)C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246254513 825657155 /nfs/dbraw/zinc/65/71/55/825657155.db2.gz IISUENSAYDIMDO-LLVKDONJSA-N 2 0 254.378 -0.558 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@@H]1CO[C@]3(C1)CCC[NH2+]C3)CCN2 ZINC001246259129 825657164 /nfs/dbraw/zinc/65/71/64/825657164.db2.gz ZHIQTONVASNDJE-YDHLFZDLSA-N 3 0 280.416 -0.419 20 0 CBADRP CC(C)(C)[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246276778 825659301 /nfs/dbraw/zinc/65/93/01/825659301.db2.gz FKKOCWGLPPNFAW-NXEZZACHSA-N 2 0 254.378 -0.430 20 0 CBADRP CCOC(=O)C1=C(N[C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001246284349 825659766 /nfs/dbraw/zinc/65/97/66/825659766.db2.gz MICZEQHINTYPTO-LLVKDONJSA-N 2 0 294.399 -0.520 20 0 CBADRP C[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CNCCO1 ZINC001246295571 825660251 /nfs/dbraw/zinc/66/02/51/825660251.db2.gz PCXSNJCKPFSNLD-SRVKXCTJSA-N 2 0 254.378 -0.953 20 0 CBADRP COC(=O)C1(N[C@H]2CCC[NH2+]C2)CC[NH+](C)CC1 ZINC001246291833 825661207 /nfs/dbraw/zinc/66/12/07/825661207.db2.gz OHZRAUIPHFXBEN-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@H]1NC1CCC([NH+]2CCOCC2)CC1 ZINC001246299479 825662046 /nfs/dbraw/zinc/66/20/46/825662046.db2.gz KZHXPJOXKTUWRC-VXGQWTEUSA-N 2 0 283.416 -0.200 20 0 CBADRP OC[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1ccccn1 ZINC001246306969 825663271 /nfs/dbraw/zinc/66/32/71/825663271.db2.gz CIZDTXPXSJXPJM-YPMHNXCESA-N 2 0 262.357 -0.201 20 0 CBADRP OC[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CCOC1 ZINC001246326637 825664085 /nfs/dbraw/zinc/66/40/85/825664085.db2.gz FWQDHMNMGYIJNX-TUAOUCFPSA-N 2 0 255.362 -0.933 20 0 CBADRP CC(C)(C)NC(=O)CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246325170 825664470 /nfs/dbraw/zinc/66/44/70/825664470.db2.gz IZYSMMZOTWLPJC-NSHDSACASA-N 2 0 268.405 -0.025 20 0 CBADRP C[C@H]1COCCN1CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246324236 825664676 /nfs/dbraw/zinc/66/46/76/825664676.db2.gz FZZLMLPICLUVGZ-STQMWFEESA-N 2 0 268.405 -0.609 20 0 CBADRP OC[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CCOC1 ZINC001246326634 825664780 /nfs/dbraw/zinc/66/47/80/825664780.db2.gz FWQDHMNMGYIJNX-SRVKXCTJSA-N 2 0 255.362 -0.933 20 0 CBADRP COC(=O)[C@H](N[C@H]1CCNC2(C[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC001246332064 825665449 /nfs/dbraw/zinc/66/54/49/825665449.db2.gz YPALHVOTFRRFIJ-QWHCGFSZSA-N 2 0 296.415 -0.789 20 0 CBADRP COC(=O)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246352830 825668297 /nfs/dbraw/zinc/66/82/97/825668297.db2.gz ZQWBFTUTZWVZAM-HBNTYKKESA-N 2 0 253.346 -0.521 20 0 CBADRP c1cc(N2CC[C@@H]([NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)C2)ncn1 ZINC001246364334 825668810 /nfs/dbraw/zinc/66/88/10/825668810.db2.gz AXIUNUREMHSSIN-CHWSQXEVSA-N 2 0 288.399 -0.261 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CCOCCN2C(=O)C=CC2=O)CC[NH2+]1 ZINC001246357565 825669198 /nfs/dbraw/zinc/66/91/98/825669198.db2.gz VYFUZGMEYMNIRO-VXGBXAGGSA-N 2 0 281.356 -0.342 20 0 CBADRP C(CO[C@@H]1CC[NH2+]C1)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246364423 825669290 /nfs/dbraw/zinc/66/92/90/825669290.db2.gz BGNMSXGJYGRROB-VXGBXAGGSA-N 3 0 254.378 -0.952 20 0 CBADRP O=C1C=CC(=O)N1CCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246357021 825669509 /nfs/dbraw/zinc/66/95/09/825669509.db2.gz SFJGZVVWHOPVPQ-FUNVUKJBSA-N 2 0 293.367 -0.199 20 0 CBADRP c1nnc(CC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)s1 ZINC001246387595 825670686 /nfs/dbraw/zinc/67/06/86/825670686.db2.gz CRQBLDOJBJFDLI-VIFPVBQESA-N 2 0 253.375 -0.236 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CNCC(C)(C)O2)CN1 ZINC001246413815 825671210 /nfs/dbraw/zinc/67/12/10/825671210.db2.gz QWRINJBJOSRPOI-UTUOFQBUSA-N 2 0 285.388 -0.363 20 0 CBADRP COC(=O)c1ccc(C[NH3+])n1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246411362 825671341 /nfs/dbraw/zinc/67/13/41/825671341.db2.gz PBWLJQJNJIBGCK-SNVBAGLBSA-N 2 0 278.356 0.000 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001246405418 825671466 /nfs/dbraw/zinc/67/14/66/825671466.db2.gz OTYFAYPNTFSICX-SRVKXCTJSA-N 2 0 295.391 -0.271 20 0 CBADRP CC(=O)N1CC[C@@H](C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246409298 825672014 /nfs/dbraw/zinc/67/20/14/825672014.db2.gz XXPRYTGVQUNHLK-STQMWFEESA-N 2 0 266.389 -0.462 20 0 CBADRP O=C1C=CC(=O)N1CCCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246420997 825672568 /nfs/dbraw/zinc/67/25/68/825672568.db2.gz NTHLMYQYKGJYRZ-LBPRGKRZSA-N 2 0 292.383 -0.625 20 0 CBADRP CC1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCS(=O)(=O)CC1 ZINC001246421388 825673090 /nfs/dbraw/zinc/67/30/90/825673090.db2.gz RIUQXFFXTXGJER-LLVKDONJSA-N 2 0 287.429 -0.363 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246418455 825673227 /nfs/dbraw/zinc/67/32/27/825673227.db2.gz RDKNNHFVJKYOAJ-UWVGGRQHSA-N 3 0 272.418 -0.594 20 0 CBADRP NC(=O)c1cncc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246452631 825673583 /nfs/dbraw/zinc/67/35/83/825673583.db2.gz KUJNKORYQOVHAE-LBPRGKRZSA-N 2 0 275.356 -0.636 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCC[NH2+]CCCC[NH3+])CN1 ZINC001246454944 825674057 /nfs/dbraw/zinc/67/40/57/825674057.db2.gz BJWWYKPIQNAGGF-STQMWFEESA-N 3 0 286.420 -0.412 20 0 CBADRP [NH3+]CCCNCCC[NH2+][C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246455724 825675273 /nfs/dbraw/zinc/67/52/73/825675273.db2.gz YAHKCOMWCUJLJY-LBPRGKRZSA-N 3 0 256.394 -0.575 20 0 CBADRP [NH3+]CCCCN1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246477994 825675784 /nfs/dbraw/zinc/67/57/84/825675784.db2.gz LDYPIZPMNYLNOQ-AWEZNQCLSA-N 3 0 281.448 -0.563 20 0 CBADRP O=S1(=O)CC[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)C1 ZINC001246477296 825675805 /nfs/dbraw/zinc/67/58/05/825675805.db2.gz NRKCEPHKMHDXGI-GUBZILKMSA-N 2 0 250.339 -0.289 20 0 CBADRP C1CC12C[NH2+]CC[C@@H]2[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246475275 825675908 /nfs/dbraw/zinc/67/59/08/825675908.db2.gz UOUIQCCGIQAWSL-NEPJUHHUSA-N 3 0 250.390 -0.188 20 0 CBADRP CC1(C)C(=O)NC[C@@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246494548 825677299 /nfs/dbraw/zinc/67/72/99/825677299.db2.gz HKRNAAOHVPDJLE-UWVGGRQHSA-N 2 0 252.362 -0.805 20 0 CBADRP COC(=O)[C@H](N[C@H]1CC[NH2+][C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC001246498466 825677387 /nfs/dbraw/zinc/67/73/87/825677387.db2.gz RPBLJGWWIVTLSW-NOOOWODRSA-N 2 0 255.362 -0.132 20 0 CBADRP C1CC1[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C1C[NH2+]C1 ZINC001246517823 825678754 /nfs/dbraw/zinc/67/87/54/825678754.db2.gz MWLFENOBBXMBIQ-STQMWFEESA-N 3 0 250.390 -0.332 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[NH2+]CC1 ZINC001246512032 825678821 /nfs/dbraw/zinc/67/88/21/825678821.db2.gz KTKNPQHWQWGMPP-RYUDHWBXSA-N 3 0 256.394 -0.038 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CSC2(C[NH2+]C2)C1 ZINC001246510120 825678985 /nfs/dbraw/zinc/67/89/85/825678985.db2.gz CVIMYSJIEJAPLG-MNOVXSKESA-N 3 0 286.445 -0.333 20 0 CBADRP COC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246524558 825680314 /nfs/dbraw/zinc/68/03/14/825680314.db2.gz GVIBWNACRMBHKQ-NWDGAFQWSA-N 2 0 267.373 -0.035 20 0 CBADRP CC(C)[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C1C[NH2+]C1 ZINC001246520083 825680384 /nfs/dbraw/zinc/68/03/84/825680384.db2.gz UVKNNFLATIHVDE-STQMWFEESA-N 3 0 252.406 -0.086 20 0 CBADRP [NH3+][C@H]1CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@H]1F ZINC001246527170 825680881 /nfs/dbraw/zinc/68/08/81/825680881.db2.gz SPRDEXQAWNSXIQ-VLEAKVRGSA-N 2 0 288.392 -0.769 20 0 CBADRP C[C@@H]1CC[C@H](n2cnc(C[C@H]([NH3+])C(N)=O)c2)C[NH2+]1 ZINC001246526628 825680947 /nfs/dbraw/zinc/68/09/47/825680947.db2.gz VXBFYLNKVPITNY-MIMYLULJSA-N 2 0 251.334 -0.449 20 0 CBADRP NC(=O)NC1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246535263 825681410 /nfs/dbraw/zinc/68/14/10/825681410.db2.gz KMVZKNZHWLCSDC-LLVKDONJSA-N 2 0 267.377 -0.787 20 0 CBADRP [NH3+]C[C@@]1(O)CCC[N@@H+](C2C[C@@H]3COC[C@H](C2)N3)CC1 ZINC001246544672 825682228 /nfs/dbraw/zinc/68/22/28/825682228.db2.gz RRGPLPVGSDTVQI-QNMSZWNNSA-N 2 0 269.389 -0.319 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)CN1 ZINC001246544743 825682619 /nfs/dbraw/zinc/68/26/19/825682619.db2.gz SLVZVVUNDJHASJ-KCQAQPDRSA-N 2 0 299.415 -0.154 20 0 CBADRP COC(=O)[C@H]1C[C@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)CN1 ZINC001246542307 825682898 /nfs/dbraw/zinc/68/28/98/825682898.db2.gz JWRDBNPKSSBNMP-DMDPSCGWSA-N 2 0 271.361 -0.934 20 0 CBADRP [NH3+]C[C@]1(O)CCC[N@@H+]([C@@H]2CCOC3(C[NH2+]C3)C2)CC1 ZINC001246540886 825682957 /nfs/dbraw/zinc/68/29/57/825682957.db2.gz FTBUVZRAOZVZSQ-OLZOCXBDSA-N 3 0 269.389 -0.317 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)CCN1 ZINC001246538324 825683022 /nfs/dbraw/zinc/68/30/22/825683022.db2.gz BAGUEIRQIVBOMK-QCNOEVLYSA-N 2 0 255.362 -0.193 20 0 CBADRP [NH3+]C[C@]1(O)CCC[N@@H+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001246543923 825683458 /nfs/dbraw/zinc/68/34/58/825683458.db2.gz OWVAPSXARPMYQZ-MNOVXSKESA-N 2 0 262.375 -0.651 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)CN1 ZINC001246542332 825683505 /nfs/dbraw/zinc/68/35/05/825683505.db2.gz JWRDBNPKSSBNMP-GVXVVHGQSA-N 2 0 271.361 -0.934 20 0 CBADRP [NH3+][C@@H]1CN([C@@H]2CCNC3(C[NH2+]C3)C2)CC(F)(F)C1 ZINC001246575563 825688729 /nfs/dbraw/zinc/68/87/29/825688729.db2.gz QDXRRCLDOCSNQA-VHSXEESVSA-N 2 0 260.332 -0.251 20 0 CBADRP CCOC(=O)[C@H]1CC[C@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CO1 ZINC001246577995 825688988 /nfs/dbraw/zinc/68/89/88/825688988.db2.gz CXHJAUFOCWLSNP-NNYUYHANSA-N 2 0 272.345 -0.652 20 0 CBADRP COC(=O)[C@H]1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246578112 825689029 /nfs/dbraw/zinc/68/90/29/825689029.db2.gz FXGPQPKVVPCEOM-NNYUYHANSA-N 2 0 256.346 -0.030 20 0 CBADRP O[C@@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC[C@H]1F ZINC001246575907 825689689 /nfs/dbraw/zinc/68/96/89/825689689.db2.gz LOTIRDCEFSEJBV-QJPTWQEYSA-N 2 0 257.353 -0.125 20 0 CBADRP N[C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246585942 825690221 /nfs/dbraw/zinc/69/02/21/825690221.db2.gz YTBNAHXCCUHKIH-ZJUUUORDSA-N 2 0 260.332 -0.251 20 0 CBADRP CCN(CC)C(=O)C[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246581216 825691161 /nfs/dbraw/zinc/69/11/61/825691161.db2.gz RMOLEUWBMQXPBJ-GRYCIOLGSA-N 2 0 257.378 -0.115 20 0 CBADRP N[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246585938 825691168 /nfs/dbraw/zinc/69/11/68/825691168.db2.gz YTBNAHXCCUHKIH-VHSXEESVSA-N 2 0 260.332 -0.251 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCN3C(=O)CC[C@H]3C2)C[C@@H]1O ZINC001246583160 825691344 /nfs/dbraw/zinc/69/13/44/825691344.db2.gz ILHKFOFJUJUYTE-BJDJZHNGSA-N 2 0 253.346 -0.609 20 0 CBADRP C[C@]1(CO)CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1O ZINC001246589378 825691774 /nfs/dbraw/zinc/69/17/74/825691774.db2.gz CSSVMCZBHLVMLW-RWMBFGLXSA-N 2 0 269.389 -0.854 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246599687 825693893 /nfs/dbraw/zinc/69/38/93/825693893.db2.gz DGTUOWMAKOPTCP-UTUOFQBUSA-N 2 0 255.362 -0.036 20 0 CBADRP OCCCN1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246602265 825694236 /nfs/dbraw/zinc/69/42/36/825694236.db2.gz KIDTUWAADXDWBE-CYBMUJFWSA-N 2 0 268.405 -0.920 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246600682 825694573 /nfs/dbraw/zinc/69/45/73/825694573.db2.gz RJMDHZRTZONOAK-SRVKXCTJSA-N 2 0 255.362 -0.036 20 0 CBADRP C1C[C@H]2CC(N3CCN4CC[NH2+]C[C@@H]4C3)C[C@@H]1[NH2+]2 ZINC001246621198 825696592 /nfs/dbraw/zinc/69/65/92/825696592.db2.gz FEZDUURTQQGHEP-QNMSZWNNSA-N 2 0 250.390 -0.141 20 0 CBADRP C1C[C@]2(C[NH2+]1)CNCCN2[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246625188 825697293 /nfs/dbraw/zinc/69/72/93/825697293.db2.gz PQHKVKMLZRFEGH-CRWXNKLISA-N 2 0 250.390 -0.378 20 0 CBADRP O=C1NCC[C@]12CN(C1CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001246630820 825697767 /nfs/dbraw/zinc/69/77/67/825697767.db2.gz VPNDVESFQCMRFA-AWEZNQCLSA-N 2 0 264.373 -0.850 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CC[NH2+]C[C@]3(CCCCN3)C1)CCO2 ZINC001246628893 825697710 /nfs/dbraw/zinc/69/77/10/825697710.db2.gz MJAKXKOAWJWETK-LSDHHAIUSA-N 2 0 294.443 -0.075 20 0 CBADRP O=C([C@@H]1C[C@@H](N2CC[C@@H]3[NH2+]CC[C@H]32)C[NH2+]1)N1CCSC1 ZINC001246630065 825698017 /nfs/dbraw/zinc/69/80/17/825698017.db2.gz HFFSWKBJLNVQQK-MROQNXINSA-N 2 0 296.440 -0.314 20 0 CBADRP C1C[C@@]2(C[NH2+]1)CNCCN2[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246625861 825698049 /nfs/dbraw/zinc/69/80/49/825698049.db2.gz QFELOTOAVPKQLW-ZOBORPQBSA-N 2 0 250.390 -0.093 20 0 CBADRP C[C@@H]1CC[C@H](N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)C[NH2+]1 ZINC001246628763 825698254 /nfs/dbraw/zinc/69/82/54/825698254.db2.gz OTJQJWPNDAJELW-TYNCELHUSA-N 2 0 278.400 -0.462 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CC[C@@H]3CC[NH2+][C@@H]3C1)CCN2 ZINC001246637179 825699435 /nfs/dbraw/zinc/69/94/35/825699435.db2.gz MBTJJTWWMBJWEW-RWMBFGLXSA-N 2 0 250.390 -0.236 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CC[C@@H]3CC[NH2+][C@@H]3C1)CCN2 ZINC001246637181 825699690 /nfs/dbraw/zinc/69/96/90/825699690.db2.gz MBTJJTWWMBJWEW-YNEHKIRRSA-N 2 0 250.390 -0.236 20 0 CBADRP c1nc2n(n1)C1(CC[NH2+]CC1)CN([C@@H]1CCC[NH2+]C1)C2 ZINC001246643920 825700618 /nfs/dbraw/zinc/70/06/18/825700618.db2.gz HZURAKCUTKNYFU-GFCCVEGCSA-N 2 0 276.388 -0.076 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CCOCC13CC[NH2+]CC3)CCN2 ZINC001246642259 825700724 /nfs/dbraw/zinc/70/07/24/825700724.db2.gz HQXBKTPXBJWQRD-CYBMUJFWSA-N 2 0 280.416 -0.465 20 0 CBADRP C1C[NH2+]C[C@H](N2CCCO[C@]3(C[NH2+]CCOC3)C2)C1 ZINC001246648467 825702050 /nfs/dbraw/zinc/70/20/50/825702050.db2.gz PUZWTZQCWIWERL-ZIAGYGMSSA-N 2 0 269.389 -0.181 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CCO[C@H]3C[NH2+]CC[C@@H]31)CCN2 ZINC001246661531 825703865 /nfs/dbraw/zinc/70/38/65/825703865.db2.gz GAACQINNFGWNLS-AGIUHOORSA-N 2 0 266.389 -0.857 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@@H]3OCCN[C@H]3C1)CCN2 ZINC001246655137 825704319 /nfs/dbraw/zinc/70/43/19/825704319.db2.gz GDDUJBUZVURMTD-AVGNSLFASA-N 2 0 266.389 -0.857 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1[C@@H]3CC[C@H]1C[NH2+]CC3)CCN2 ZINC001246675303 825705237 /nfs/dbraw/zinc/70/52/37/825705237.db2.gz FMIPBQKRBAVXPA-AGIUHOORSA-N 3 0 250.390 -0.093 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C1)O4)CCN2 ZINC001246685557 825706394 /nfs/dbraw/zinc/70/63/94/825706394.db2.gz PLPOIWLALLXOEJ-DSJMHWKBSA-N 3 0 292.427 -0.467 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([N@H+](C)CC2CC[NH2+]CC2)CN1 ZINC001246678606 825706615 /nfs/dbraw/zinc/70/66/15/825706615.db2.gz OOSMKCJXMPCONW-NEPJUHHUSA-N 2 0 255.362 -0.179 20 0 CBADRP COCC[NH+]1CCN([C@H]2CN[C@H](C(=O)OC)C2)CC1 ZINC001246677904 825706891 /nfs/dbraw/zinc/70/68/91/825706891.db2.gz ADPLEGDGSOVXLP-NEPJUHHUSA-N 2 0 271.361 -0.846 20 0 CBADRP CN1CCO[C@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246703960 825708192 /nfs/dbraw/zinc/70/81/92/825708192.db2.gz ULAXBACEUBWCJP-UPJWGTAASA-N 2 0 266.389 -0.905 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCC3(C1)OCCO3)CCN2 ZINC001246781126 825710290 /nfs/dbraw/zinc/71/02/90/825710290.db2.gz DEXUWKAXYLHUEP-NSHDSACASA-N 2 0 253.346 -0.471 20 0 CBADRP O=C(C1CC1)N1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246787741 825710301 /nfs/dbraw/zinc/71/03/01/825710301.db2.gz MLPJGRGFZCMMNH-CYBMUJFWSA-N 2 0 278.400 -0.365 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CC[NH+](C3CCOCC3)CC1)CCN2 ZINC001246787663 825710595 /nfs/dbraw/zinc/71/05/95/825710595.db2.gz DXFLUVITXVBGBP-OAHLLOKOSA-N 2 0 294.443 -0.123 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCC3(C1)OCCO3)CCN2 ZINC001246781091 825710716 /nfs/dbraw/zinc/71/07/16/825710716.db2.gz DEXUWKAXYLHUEP-LLVKDONJSA-N 2 0 253.346 -0.471 20 0 CBADRP C1C([NH+]2CCCC2)CN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246802938 825713015 /nfs/dbraw/zinc/71/30/15/825713015.db2.gz YLEKKMHXKOSVIR-LBPRGKRZSA-N 2 0 250.390 -0.140 20 0 CBADRP CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246814165 825714155 /nfs/dbraw/zinc/71/41/55/825714155.db2.gz ODHDAIDJBXHFBR-NEPJUHHUSA-N 2 0 283.372 -0.656 20 0 CBADRP CN1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246813877 825714264 /nfs/dbraw/zinc/71/42/64/825714264.db2.gz RFKWQFJQZBWJLJ-RWMBFGLXSA-N 2 0 250.390 -0.141 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH+]2CC3(CC([NH3+])C3)C2)CN1 ZINC001246811079 825714976 /nfs/dbraw/zinc/71/49/76/825714976.db2.gz RLOLXTDDLVCHMJ-QWRGUYRKSA-N 2 0 253.346 -0.297 20 0 CBADRP COC(=O)C[C@@H]1C[NH2+]CCN1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246812925 825715285 /nfs/dbraw/zinc/71/52/85/825715285.db2.gz FQRYNUYVMOOSHH-QJPTWQEYSA-N 2 0 255.362 -0.036 20 0 CBADRP CC[C@@H]1C[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)CC[NH2+]1 ZINC001246818856 825715761 /nfs/dbraw/zinc/71/57/61/825715761.db2.gz FACIXXFTDWQLCI-CABCVRRESA-N 3 0 283.464 -0.399 20 0 CBADRP N=c1sc2c(n1[C@H]1CCNC3(C[NH2+]C3)C1)CC[NH2+]C2 ZINC001246820322 825715819 /nfs/dbraw/zinc/71/58/19/825715819.db2.gz FORDXRAZFGYJOV-VIFPVBQESA-N 2 0 279.413 -0.059 20 0 CBADRP C[C@@H]1C[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC001246818932 825716684 /nfs/dbraw/zinc/71/66/84/825716684.db2.gz FBCFKPSFYJILMF-QDMKHBRRSA-N 3 0 283.464 -0.400 20 0 CBADRP CC1(C)C[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)CO1 ZINC001246821091 825716731 /nfs/dbraw/zinc/71/67/31/825716731.db2.gz LGIWOLNVZAERSJ-ZDUSSCGKSA-N 2 0 270.421 -0.362 20 0 CBADRP C[C@H]1CC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)C[NH2+]1 ZINC001246824945 825717352 /nfs/dbraw/zinc/71/73/52/825717352.db2.gz ZXOYSULOVBPVLR-UONOGXRCSA-N 3 0 269.437 -0.789 20 0 CBADRP C[C@H]1CC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)C[NH2+]1 ZINC001246824941 825717489 /nfs/dbraw/zinc/71/74/89/825717489.db2.gz ZXOYSULOVBPVLR-KBPBESRZSA-N 3 0 269.437 -0.789 20 0 CBADRP C[C@@H]1CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@H](C)[NH2+]1 ZINC001246824320 825717515 /nfs/dbraw/zinc/71/75/15/825717515.db2.gz MKADHEPHUSIKQL-XQHKEYJVSA-N 2 0 298.456 -0.068 20 0 CBADRP CCN1CC[C@H]([NH+]2CCNCC[NH2+]CCNCC2)CC1=O ZINC001246824931 825718113 /nfs/dbraw/zinc/71/81/13/825718113.db2.gz ZSWPQTZIQKWQLJ-AWEZNQCLSA-N 2 0 297.447 -0.918 20 0 CBADRP C[C@@H]1C[C@@H]([NH+]2CCNCC[NH2+]CCNCC2)CCO1 ZINC001246822892 825718136 /nfs/dbraw/zinc/71/81/36/825718136.db2.gz TVUJURUXNQIBNU-KGLIPLIRSA-N 2 0 270.421 -0.362 20 0 CBADRP [NH3+]CCN(CC[NH3+])[C@@H]1CCN[C@H](C(F)(F)F)C1 ZINC001246833030 825718529 /nfs/dbraw/zinc/71/85/29/825718529.db2.gz QZEQBEHBMFNMHL-BDAKNGLRSA-N 2 0 254.300 -0.111 20 0 CBADRP [NH3+][C@@H]1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1(F)F ZINC001246837522 825719137 /nfs/dbraw/zinc/71/91/37/825719137.db2.gz QBPXWJZFSBDUCF-VHSXEESVSA-N 2 0 260.332 -0.251 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)CN1 ZINC001246849105 825719946 /nfs/dbraw/zinc/71/99/46/825719946.db2.gz YAXVGWUJLZPNTB-NDBYEHHHSA-N 2 0 267.373 -0.179 20 0 CBADRP CN(C)C(=O)CC[N@H+](C)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246843764 825720253 /nfs/dbraw/zinc/72/02/53/825720253.db2.gz WCBIIQLBEGTQDD-LLVKDONJSA-N 2 0 254.378 -0.510 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)CN1 ZINC001246849111 825720492 /nfs/dbraw/zinc/72/04/92/825720492.db2.gz YAXVGWUJLZPNTB-VOAKCMCISA-N 2 0 267.373 -0.179 20 0 CBADRP CCN([C@@H]1CC[NH2+]C1)[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246850845 825721622 /nfs/dbraw/zinc/72/16/22/825721622.db2.gz LJYOICDRLCIURJ-AGIUHOORSA-N 2 0 298.456 -0.066 20 0 CBADRP COC(=O)[C@@H]1CC[C@H](N2C[C@@H]3CC[C@]3([NH3+])C2)CN1 ZINC001246855950 825721979 /nfs/dbraw/zinc/72/19/79/825721979.db2.gz WEUDLJDDRIGEGW-ZPFDUUQYSA-N 2 0 253.346 -0.297 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CCN1 ZINC001246858794 825722886 /nfs/dbraw/zinc/72/28/86/825722886.db2.gz HUILTZGCNPKMBK-ZBBUEOHVSA-N 2 0 297.399 -0.424 20 0 CBADRP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CCN1 ZINC001246858792 825722988 /nfs/dbraw/zinc/72/29/88/825722988.db2.gz HUILTZGCNPKMBK-BMNJFWBPSA-N 2 0 297.399 -0.424 20 0 CBADRP COC(=O)[C@@H](N)C1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246865246 825723957 /nfs/dbraw/zinc/72/39/57/825723957.db2.gz SHZXTOJJSFIXDF-STQMWFEESA-N 2 0 296.415 -0.707 20 0 CBADRP COC(=O)[C@@H](N)C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001246861759 825724520 /nfs/dbraw/zinc/72/45/20/825724520.db2.gz DGLHXTXOTJIPAJ-LBPRGKRZSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]1CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)[C@@H](C)C[NH2+]1 ZINC001246869200 825725781 /nfs/dbraw/zinc/72/57/81/825725781.db2.gz FVFJMQDNOLHBJT-CYDGBPFRSA-N 2 0 298.456 -0.068 20 0 CBADRP CC[C@@]1(C(=O)OC)C[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)CN1 ZINC001246871362 825726049 /nfs/dbraw/zinc/72/60/49/825726049.db2.gz QVYMNVKDBLYUPA-HIFRSBDPSA-N 2 0 298.431 -0.493 20 0 CBADRP COCCC[NH+]1CCC(N2CC[NH2+]C[C@H]2C(=O)OC)CC1 ZINC001246867029 825726430 /nfs/dbraw/zinc/72/64/30/825726430.db2.gz MUVOMDPNSWJISW-AWEZNQCLSA-N 2 0 299.415 -0.066 20 0 CBADRP Cn1ncc2c1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246872111 825726733 /nfs/dbraw/zinc/72/67/33/825726733.db2.gz PIMRBUNQZVGYFX-GFCCVEGCSA-N 2 0 261.373 -0.128 20 0 CBADRP CC(C)N1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246873015 825727205 /nfs/dbraw/zinc/72/72/05/825727205.db2.gz YJJOXKDNFHTDNM-LBPRGKRZSA-N 2 0 266.389 -0.367 20 0 CBADRP O=C1COC2(CC[NH+](C3CC[NH2+]CC3)CC2)CN1 ZINC001246880052 825727302 /nfs/dbraw/zinc/72/73/02/825727302.db2.gz OZINGPOQPLBBSE-UHFFFAOYSA-N 2 0 253.346 -0.281 20 0 CBADRP CC(=O)N1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1C ZINC001246887179 825727418 /nfs/dbraw/zinc/72/74/18/825727418.db2.gz JQYXWCFVVGUOAE-DGCLKSJQSA-N 2 0 266.389 -0.367 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH+]2CCC3(C[NH+](C)C3)CC2)CN1 ZINC001246874794 825727864 /nfs/dbraw/zinc/72/78/64/825727864.db2.gz LANDFZSMWXYGIG-RYUDHWBXSA-N 2 0 267.373 -0.083 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](N3CC([NH3+])C3)C2)CN1 ZINC001246872266 825728045 /nfs/dbraw/zinc/72/80/45/825728045.db2.gz QDCLCHJCQXVXAY-RDBSUJKOSA-N 2 0 296.415 -0.613 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246901864 825729152 /nfs/dbraw/zinc/72/91/52/825729152.db2.gz AORIAVVKRLLGQX-DCAQKATOSA-N 2 0 253.346 -0.297 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246901859 825729249 /nfs/dbraw/zinc/72/92/49/825729249.db2.gz AIHHMOZTQNMRMB-ZIQFBCGOSA-N 2 0 253.346 -0.156 20 0 CBADRP CC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246894076 825729293 /nfs/dbraw/zinc/72/92/93/825729293.db2.gz NCQUIEFKPWOZGW-VXGBXAGGSA-N 2 0 252.362 -0.709 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246907105 825729879 /nfs/dbraw/zinc/72/98/79/825729879.db2.gz PQNYKJBFQLXKEB-AEJSXWLSSA-N 2 0 271.386 -0.592 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246904670 825730200 /nfs/dbraw/zinc/73/02/00/825730200.db2.gz NFPFWEDEXBNIQG-VWYCJHECSA-N 2 0 269.345 -0.918 20 0 CBADRP C[C@H]1C[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CC[NH2+]1 ZINC001246919657 825731153 /nfs/dbraw/zinc/73/11/53/825731153.db2.gz JOPXXAMUGDJGGK-STQMWFEESA-N 3 0 285.436 -0.757 20 0 CBADRP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246921254 825731582 /nfs/dbraw/zinc/73/15/82/825731582.db2.gz OGXBQQWFMJSGPD-ZDUSSCGKSA-N 4 0 297.447 -0.756 20 0 CBADRP CC(=O)N(C)[C@@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246920226 825731836 /nfs/dbraw/zinc/73/18/36/825731836.db2.gz DCJWEIYOWHVNGN-QWHCGFSZSA-N 2 0 266.389 -0.367 20 0 CBADRP COCCN([C@@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC001246926737 825732618 /nfs/dbraw/zinc/73/26/18/825732618.db2.gz DYUCSFJDSMXXPS-KGLIPLIRSA-N 2 0 282.432 -0.219 20 0 CBADRP COC(=O)[C@@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1[NH3+] ZINC001246931814 825733821 /nfs/dbraw/zinc/73/38/21/825733821.db2.gz OGVXKPZKBPNTBT-ROHXPCBUSA-N 2 0 253.346 -0.299 20 0 CBADRP C[C@H]1CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@H](C)[NH2+]1 ZINC001246943595 825735416 /nfs/dbraw/zinc/73/54/16/825735416.db2.gz MKADHEPHUSIKQL-CYDGBPFRSA-N 2 0 298.456 -0.068 20 0 CBADRP COC(=O)[C@H]1CN([C@H]2CC[C@@H](C)[NH2+]C2)CC[C@@H]1[NH3+] ZINC001246946260 825735689 /nfs/dbraw/zinc/73/56/89/825735689.db2.gz GWAYKSIQNDMLHB-RHYQMDGZSA-N 2 0 255.362 -0.051 20 0 CBADRP [NH3+]C1CCN([C@H]2CC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)CC1 ZINC001246978364 825737030 /nfs/dbraw/zinc/73/70/30/825737030.db2.gz SBXHAKNISKNBFM-CABCVRRESA-N 3 0 293.459 -0.422 20 0 CBADRP C([C@@H]1CN([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1)[NH+]1CCCC1 ZINC001246978070 825737283 /nfs/dbraw/zinc/73/72/83/825737283.db2.gz IXSBOCPYDATFCT-HUUCEWRRSA-N 2 0 294.443 -0.123 20 0 CBADRP CCNC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246979090 825737843 /nfs/dbraw/zinc/73/78/43/825737843.db2.gz ZIERYPZJVFYPGI-NEPJUHHUSA-N 2 0 266.389 -0.319 20 0 CBADRP COC(=O)[C@H]1C[C@@H](N(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)CN1 ZINC001246985867 825738831 /nfs/dbraw/zinc/73/88/31/825738831.db2.gz LEODHSUPEVRXJT-MGPQQGTHSA-N 2 0 298.431 -0.495 20 0 CBADRP COC(=O)[C@H]1C[C@H](N(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)CN1 ZINC001246985858 825739239 /nfs/dbraw/zinc/73/92/39/825739239.db2.gz LEODHSUPEVRXJT-HZSPNIEDSA-N 2 0 298.431 -0.495 20 0 CBADRP C[C@@H]1CN(C2C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C[C@@H](C)O1 ZINC001246986001 825739393 /nfs/dbraw/zinc/73/93/93/825739393.db2.gz DNTHAUJZNMWDSN-MCIONIFRSA-N 2 0 294.443 -0.126 20 0 CBADRP C[NH+](C)CCN([C@@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC001246992203 825740727 /nfs/dbraw/zinc/74/07/27/825740727.db2.gz YOBBFLCZDLFPDN-CABCVRRESA-N 3 0 295.475 -0.304 20 0 CBADRP O=C1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@H]2CCCN12 ZINC001246993616 825740908 /nfs/dbraw/zinc/74/09/08/825740908.db2.gz OOPNJFIFTBQNLH-CHWSQXEVSA-N 2 0 278.400 -0.223 20 0 CBADRP C[NH+]1CC2(C1)CC[NH+](C[C@H](O)CN1CCOCC1)CC2 ZINC001251020322 825764131 /nfs/dbraw/zinc/76/41/31/825764131.db2.gz CVZUSDJPZSOLJW-AWEZNQCLSA-N 2 0 283.416 -0.293 20 0 CBADRP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC001251035066 825767123 /nfs/dbraw/zinc/76/71/23/825767123.db2.gz DRZFBPUWOXFNPL-KBPBESRZSA-N 2 0 271.405 -0.247 20 0 CBADRP CC(C)OC[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH]cn1 ZINC001252694395 825884930 /nfs/dbraw/zinc/88/49/30/825884930.db2.gz BSUQLWHIHGIGFQ-CYBMUJFWSA-N 2 0 298.387 -0.166 20 0 CBADRP CC[NH+](CC)CCN1CC[NH+](C[C@H](O)COC)CC1 ZINC001252810180 825888245 /nfs/dbraw/zinc/88/82/45/825888245.db2.gz PLKIWJZOOFHHKI-AWEZNQCLSA-N 2 0 273.421 -0.047 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001252817146 825889717 /nfs/dbraw/zinc/88/97/17/825889717.db2.gz AQZJGTMZXBXXRA-MELADBBJSA-N 2 0 271.405 -0.296 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC001253180716 825902298 /nfs/dbraw/zinc/90/22/98/825902298.db2.gz HYEYDEFOTBZADF-KBPBESRZSA-N 2 0 273.421 -0.049 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC001253180717 825902423 /nfs/dbraw/zinc/90/24/23/825902423.db2.gz HYEYDEFOTBZADF-KGLIPLIRSA-N 2 0 273.421 -0.049 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN(C)CCN1CC[NH+](C)CC1 ZINC001253187247 825902701 /nfs/dbraw/zinc/90/27/01/825902701.db2.gz CGLUGVLDBYFRPL-OAHLLOKOSA-N 2 0 286.464 -0.132 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN1CCOC[C@H]1C[NH+](C)C ZINC001253193660 825903944 /nfs/dbraw/zinc/90/39/44/825903944.db2.gz HCJBAAPEBXREAO-KGLIPLIRSA-N 2 0 273.421 -0.049 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[NH2+]CC1(C(N)=O)CCOCC1 ZINC001253203459 825904139 /nfs/dbraw/zinc/90/41/39/825904139.db2.gz SVWYGBWEVDDWDF-LBPRGKRZSA-N 2 0 287.404 -0.439 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN1CCOC[C@@H]1C[NH+](C)C ZINC001253193655 825904426 /nfs/dbraw/zinc/90/44/26/825904426.db2.gz HCJBAAPEBXREAO-KBPBESRZSA-N 2 0 273.421 -0.049 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[NH2+]CCCc1c[nH][nH]c1=O ZINC001253202920 825904730 /nfs/dbraw/zinc/90/47/30/825904730.db2.gz CDWULLHGTJGJKJ-RYUDHWBXSA-N 2 0 270.377 -0.209 20 0 CBADRP CC[NH+](CC)C[C@H](O)CNCC[N@@H+]1CCC[C@H](O)C1 ZINC001253209680 825905611 /nfs/dbraw/zinc/90/56/11/825905611.db2.gz GYMVVTFFSLJUET-UONOGXRCSA-N 2 0 273.421 -0.265 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CNCC[N@@H+]1CC[C@@H](O)C1 ZINC001253208904 825905681 /nfs/dbraw/zinc/90/56/81/825905681.db2.gz UTMGTIMVQNXHEN-OLZOCXBDSA-N 2 0 259.394 -0.655 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1C[C@H](NC(C)=O)C1 ZINC001253210892 825907393 /nfs/dbraw/zinc/90/73/93/825907393.db2.gz PMGWNOPCDLTNQM-JHJVBQTASA-N 2 0 257.378 -0.054 20 0 CBADRP CN(CCN1CC[NH+](C)CC1)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253394041 825912388 /nfs/dbraw/zinc/91/23/88/825912388.db2.gz DCVVILALLMIMTE-CQSZACIVSA-N 2 0 286.464 -0.085 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)CNC1CC[NH+](CCO)CC1 ZINC001253406944 825914207 /nfs/dbraw/zinc/91/42/07/825914207.db2.gz YVVLFAHYIDKMFZ-ZDUSSCGKSA-N 2 0 273.421 -0.218 20 0 CBADRP CN(C)C1(C[NH2+][C@H]2CCS(=O)(=O)C2)CC[NH+](C)CC1 ZINC001254315404 825949618 /nfs/dbraw/zinc/94/96/18/825949618.db2.gz JFFRCJCPDCLAPU-LBPRGKRZSA-N 2 0 289.445 -0.211 20 0 CBADRP O=S1(=O)CC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC001254319014 825950016 /nfs/dbraw/zinc/95/00/16/825950016.db2.gz RCQUKXRAILEDFP-LBPRGKRZSA-N 2 0 276.402 -0.533 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])[C@H]1CC2CC[NH+](CC2)C1 ZINC001254833292 825970309 /nfs/dbraw/zinc/97/03/09/825970309.db2.gz XITRSAVXXSFDTF-NSHDSACASA-N 2 0 261.391 -0.309 20 0 CBADRP CCOC(=O)N1CC[C@@H]([NH2+]C[C@H](C[NH3+])C(=O)OC)C1 ZINC001256017266 825997382 /nfs/dbraw/zinc/99/73/82/825997382.db2.gz OUMVUIIXJJUPHV-VHSXEESVSA-N 2 0 273.333 -0.445 20 0 CBADRP [NH3+]C[C@H](O)C[NH2+]C1CCN(c2ncccn2)CC1 ZINC001256045626 826000899 /nfs/dbraw/zinc/00/08/99/826000899.db2.gz RIYJOKBMDQHHNM-NSHDSACASA-N 2 0 251.334 -0.645 20 0 CBADRP COC(=O)CC[C@H](C)[NH2+]CCN(CC[NH3+])N(O)N=O ZINC001258355128 826063114 /nfs/dbraw/zinc/06/31/14/826063114.db2.gz CWVMSLWXQPYFKT-VIFPVBQESA-N 2 0 277.325 -0.534 20 0 CBADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C(C(N)=O)C(N)=O ZINC001258899120 826070483 /nfs/dbraw/zinc/07/04/83/826070483.db2.gz FSNCKCIDFBIFJX-SECBINFHSA-N 2 0 258.366 -0.574 20 0 CBADRP Cc1cnc(CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cn1 ZINC001261437459 826511959 /nfs/dbraw/zinc/51/19/59/826511959.db2.gz CMXVBWSHHWHHEP-OAHLLOKOSA-N 2 0 293.415 -0.475 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001261436045 826512117 /nfs/dbraw/zinc/51/21/17/826512117.db2.gz NWOOGWXZXJUKFL-HRCADAONSA-N 3 0 296.459 -0.189 20 0 CBADRP C[C@@H](CO)CCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001261436967 826512665 /nfs/dbraw/zinc/51/26/65/826512665.db2.gz QDLDPCASKWEBOO-KGLIPLIRSA-N 2 0 273.421 -0.407 20 0 CBADRP COCC[NH2+]CCNC(=O)COC1CC[NH2+]CC1 ZINC001261462433 826518247 /nfs/dbraw/zinc/51/82/47/826518247.db2.gz QUFVRVXOTZGFCJ-UHFFFAOYSA-N 2 0 259.350 -0.893 20 0 CBADRP C[C@@H](CN1CCOCC1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001261492603 826524509 /nfs/dbraw/zinc/52/45/09/826524509.db2.gz LWMBXOWBKSTEEK-LSDHHAIUSA-N 2 0 282.432 -0.313 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001261495795 826525196 /nfs/dbraw/zinc/52/51/96/826525196.db2.gz UPDWLALVJOYOLF-LBPRGKRZSA-N 2 0 268.405 -0.180 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001261495028 826525228 /nfs/dbraw/zinc/52/52/28/826525228.db2.gz OPZRGFOXCSIFLE-QWHCGFSZSA-N 2 0 266.389 -0.508 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC001261527345 826533822 /nfs/dbraw/zinc/53/38/22/826533822.db2.gz OKEUSZKJSAQNGK-ZDUSSCGKSA-N 2 0 285.436 -0.981 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001261530423 826534990 /nfs/dbraw/zinc/53/49/90/826534990.db2.gz DCPNAJMLPDABLV-AAEUAGOBSA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@H](C[NH3+])NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001261643766 826554303 /nfs/dbraw/zinc/55/43/03/826554303.db2.gz FNJKROJEEYNJME-ZJUUUORDSA-N 2 0 266.349 -0.330 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)cn1 ZINC001261892495 826604832 /nfs/dbraw/zinc/60/48/32/826604832.db2.gz NCLQDDGEZOFCTJ-ZMLRMANQSA-N 2 0 263.345 -0.009 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC[C@H](O)C(F)F)CC1 ZINC001261891930 826605232 /nfs/dbraw/zinc/60/52/32/826605232.db2.gz UJPTYSMRAGJZQC-QWRGUYRKSA-N 2 0 281.347 -0.800 20 0 CBADRP CC[N@@H+]1CCC[C@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC001262007724 826618438 /nfs/dbraw/zinc/61/84/38/826618438.db2.gz OSOUBKZAMJOXIF-CYBMUJFWSA-N 2 0 268.405 -0.260 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)c1cnnn1C1CC[NH2+]CC1 ZINC001262009557 826619530 /nfs/dbraw/zinc/61/95/30/826619530.db2.gz APZXIHNWLOYJEM-SECBINFHSA-N 2 0 264.333 -0.706 20 0 CBADRP Cc1cc(C[NH3+])oc1C(=O)NC[C@H]1COCC[NH2+]1 ZINC001262009226 826619634 /nfs/dbraw/zinc/61/96/34/826619634.db2.gz OPHAQBMBOVFRDC-VIFPVBQESA-N 2 0 253.302 -0.235 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C1(n2cccn2)CC[NH2+]CC1 ZINC001262009544 826619705 /nfs/dbraw/zinc/61/97/05/826619705.db2.gz AHDPQLSMYACCIE-LLVKDONJSA-N 2 0 263.345 -0.560 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC001262034871 826627014 /nfs/dbraw/zinc/62/70/14/826627014.db2.gz QNUKWHHJFKTUOC-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CCC1([NH3+])CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC001262044551 826627667 /nfs/dbraw/zinc/62/76/67/826627667.db2.gz MXTRTFOTNLPYFF-UHFFFAOYSA-N 2 0 254.378 -0.379 20 0 CBADRP C[C@H]([NH3+])C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001262037011 826627673 /nfs/dbraw/zinc/62/76/73/826627673.db2.gz IXEKDPAHOFOIES-QMMMGPOBSA-N 2 0 250.306 -0.828 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)N(CC[NH3+])CC(F)(F)F ZINC001262038920 826627766 /nfs/dbraw/zinc/62/77/66/826627766.db2.gz CRSMSXCJLUIMPT-SSDOTTSWSA-N 2 0 257.256 -0.300 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC001262066349 826629871 /nfs/dbraw/zinc/62/98/71/826629871.db2.gz YZDVOZWIQSHOLS-PHIMTYICSA-N 2 0 294.399 -0.417 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)C1CC1 ZINC001262065223 826630150 /nfs/dbraw/zinc/63/01/50/826630150.db2.gz UUKTYRSHKSCNDV-XHDPSFHLSA-N 2 0 294.399 -0.735 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001262071359 826631526 /nfs/dbraw/zinc/63/15/26/826631526.db2.gz XTNFFGMNGZFWIL-QJPTWQEYSA-N 2 0 282.388 -0.608 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001262072913 826632800 /nfs/dbraw/zinc/63/28/00/826632800.db2.gz CBOPQFGMHKADBD-XQQFMLRXSA-N 2 0 296.415 -0.219 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC001262075059 826633510 /nfs/dbraw/zinc/63/35/10/826633510.db2.gz IZTHIWSBDLGTEN-XQQFMLRXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC001262075060 826633544 /nfs/dbraw/zinc/63/35/44/826633544.db2.gz IZTHIWSBDLGTEN-YNEHKIRRSA-N 2 0 296.415 -0.217 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001262075117 826633631 /nfs/dbraw/zinc/63/36/31/826633631.db2.gz KHQVHJFWGDEWLH-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CN[C@@H]1CC[NH2+]C1 ZINC001262162414 826645933 /nfs/dbraw/zinc/64/59/33/826645933.db2.gz NRWLQJYRWDCOOW-GHMZBOCLSA-N 2 0 250.350 -0.346 20 0 CBADRP Cc1cccn2c(=O)cc(CNC(C[NH3+])C[NH3+])nc12 ZINC001262194925 826657019 /nfs/dbraw/zinc/65/70/19/826657019.db2.gz IZGHTJAQIZIXLO-UHFFFAOYSA-N 2 0 261.329 -0.621 20 0 CBADRP C([C@H]1CC[NH2+]C1)N1CC[NH2+]CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC001262194728 826657239 /nfs/dbraw/zinc/65/72/39/826657239.db2.gz BBOLEZQNBGDLFO-HOTGVXAUSA-N 3 0 295.475 -0.587 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CC(=O)N1CC[NH2+]CC1 ZINC001262195247 826657528 /nfs/dbraw/zinc/65/75/28/826657528.db2.gz UYDJBIDTFCIQSL-SDDRHHMPSA-N 2 0 254.378 -0.511 20 0 CBADRP CC(=O)N1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001262195141 826657594 /nfs/dbraw/zinc/65/75/94/826657594.db2.gz PMSGMVGRYRZDNF-CYBMUJFWSA-N 2 0 267.373 -0.081 20 0 CBADRP CC(=O)NC[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC001262195216 826657761 /nfs/dbraw/zinc/65/77/61/826657761.db2.gz TWOVJCNOKDYLSA-CYDGBPFRSA-N 2 0 255.362 -0.315 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001262546457 826705083 /nfs/dbraw/zinc/70/50/83/826705083.db2.gz ZGWSENFXTKEBMT-AVGNSLFASA-N 2 0 296.415 -0.489 20 0 CBADRP CC[NH+]1CCN(CC[NH2+]C[C@H](O)CC(C)(C)O)CC1 ZINC001262561696 826708447 /nfs/dbraw/zinc/70/84/47/826708447.db2.gz DZSOSFFVNQFQQR-CYBMUJFWSA-N 2 0 273.421 -0.265 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC001262563630 826709890 /nfs/dbraw/zinc/70/98/90/826709890.db2.gz KGTUDKJOXVZSMS-ZDUSSCGKSA-N 2 0 259.394 -0.389 20 0 CBADRP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)NCCCN1CC[NH2+]CC1 ZINC001262583963 826712869 /nfs/dbraw/zinc/71/28/69/826712869.db2.gz NAWHBPDTHSBQJY-UKRRQHHQSA-N 2 0 295.431 -0.196 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)NC[C@H]([NH3+])C(C)C ZINC001262584415 826713536 /nfs/dbraw/zinc/71/35/36/826713536.db2.gz BGCANPUISTZOHA-MNOVXSKESA-N 2 0 258.366 -0.401 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001262589034 826714683 /nfs/dbraw/zinc/71/46/83/826714683.db2.gz WGLIMOBINRRPAM-VXGBXAGGSA-N 2 0 272.393 -0.151 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC001262589032 826714919 /nfs/dbraw/zinc/71/49/19/826714919.db2.gz WGLIMOBINRRPAM-NWDGAFQWSA-N 2 0 272.393 -0.151 20 0 CBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCNCC[NH2+]CC1 ZINC001262599506 826716953 /nfs/dbraw/zinc/71/69/53/826716953.db2.gz AMZFKWAYBVPRFI-QJPTWQEYSA-N 2 0 267.377 -0.916 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCc1ccccc1C[NH3+] ZINC001263062029 826731896 /nfs/dbraw/zinc/73/18/96/826731896.db2.gz IVPPDKPRBZHQKZ-GWCFXTLKSA-N 2 0 265.357 -0.022 20 0 CBADRP C[C@@H](CCC[NH3+])NC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001263067044 826732107 /nfs/dbraw/zinc/73/21/07/826732107.db2.gz BYQVBXLNHLGSOO-WDEREUQCSA-N 2 0 255.362 -0.001 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001263067469 826732127 /nfs/dbraw/zinc/73/21/27/826732127.db2.gz NPESJJFJTNYTEY-LLVKDONJSA-N 2 0 271.361 -0.893 20 0 CBADRP CC[NH+](CC)CCCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001263092525 826735983 /nfs/dbraw/zinc/73/59/83/826735983.db2.gz WRUVZIBNVOZKJC-DGCLKSJQSA-N 2 0 257.378 -0.053 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])CO)c1ccc(F)cc1 ZINC001263095238 826737191 /nfs/dbraw/zinc/73/71/91/826737191.db2.gz HNRMYKWCSJWXLF-VXGBXAGGSA-N 2 0 269.320 -0.136 20 0 CBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)CNCC[NH3+])C1 ZINC001263102502 826738137 /nfs/dbraw/zinc/73/81/37/826738137.db2.gz WPPNVDQQZLTUBE-LBPRGKRZSA-N 2 0 256.394 -0.275 20 0 CBADRP [NH3+]CCN(CCc1ccccc1)C(=O)[C@H]([NH3+])CO ZINC001263108468 826738989 /nfs/dbraw/zinc/73/89/89/826738989.db2.gz YGGASXMNOXRKCB-GFCCVEGCSA-N 2 0 251.330 -0.664 20 0 CBADRP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC001263107319 826739500 /nfs/dbraw/zinc/73/95/00/826739500.db2.gz TYHFBGUQAIYWJT-VOAKCMCISA-N 2 0 266.389 -0.417 20 0 CBADRP C[NH2+]C1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCC1 ZINC001263108051 826739722 /nfs/dbraw/zinc/73/97/22/826739722.db2.gz MVVLXEVXFABFPO-GFCCVEGCSA-N 2 0 266.389 -0.365 20 0 CBADRP C[NH+](C)CCN(C(=O)CNCC[NH3+])C1CCCC1 ZINC001263110682 826740859 /nfs/dbraw/zinc/74/08/59/826740859.db2.gz FAVPJNRTUKEOSL-UHFFFAOYSA-N 2 0 256.394 -0.133 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC001263114349 826741077 /nfs/dbraw/zinc/74/10/77/826741077.db2.gz LMIZAUGAUAEFDD-STQMWFEESA-N 2 0 268.405 -0.167 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001263134347 826743025 /nfs/dbraw/zinc/74/30/25/826743025.db2.gz RMQRBUWSOZTAHM-UWVGGRQHSA-N 2 0 261.391 -0.439 20 0 CBADRP CCO[C@@H]1CN(C(=O)CC2CC([NH3+])C2)C[C@H]1C[NH3+] ZINC001263149609 826743652 /nfs/dbraw/zinc/74/36/52/826743652.db2.gz HQQIOZGSMZKDLU-RUJICJSRSA-N 2 0 255.362 -0.064 20 0 CBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001263151678 826743841 /nfs/dbraw/zinc/74/38/41/826743841.db2.gz IUXSCDJULQKSFJ-GHMZBOCLSA-N 2 0 253.346 -0.438 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)[NH+](C)C ZINC001263154757 826744758 /nfs/dbraw/zinc/74/47/58/826744758.db2.gz CMKQYMRHMVBNDV-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001263156027 826744850 /nfs/dbraw/zinc/74/48/50/826744850.db2.gz LCBFTPXZYACCNI-ZRUFSTJUSA-N 2 0 251.330 -0.911 20 0 CBADRP CC[C@]1(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CCC[NH2+]1 ZINC001263155776 826744885 /nfs/dbraw/zinc/74/48/85/826744885.db2.gz FPAZNKYUMWIORF-GXFFZTMASA-N 2 0 253.346 -0.234 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O)[NH+](C)C ZINC001263154758 826745065 /nfs/dbraw/zinc/74/50/65/826745065.db2.gz CMKQYMRHMVBNDV-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CC1 ZINC001263156143 826745507 /nfs/dbraw/zinc/74/55/07/826745507.db2.gz NRHSDSVQVKMSLW-NSHDSACASA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+]C[C@@H](O)CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC001263159333 826746162 /nfs/dbraw/zinc/74/61/62/826746162.db2.gz YEKBIXAYHZAZAE-OCCSQVGLSA-N 2 0 263.341 -0.647 20 0 CBADRP [NH3+]C[C@@H](O)CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC001263159334 826746789 /nfs/dbraw/zinc/74/67/89/826746789.db2.gz YEKBIXAYHZAZAE-TZMCWYRMSA-N 2 0 263.341 -0.647 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001263165943 826747448 /nfs/dbraw/zinc/74/74/48/826747448.db2.gz PQWOHMAKYFWDGH-OUAUKWLOSA-N 2 0 255.362 -0.396 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001263165944 826747588 /nfs/dbraw/zinc/74/75/88/826747588.db2.gz PQWOHMAKYFWDGH-VWYCJHECSA-N 2 0 255.362 -0.396 20 0 CBADRP C[C@]1(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C[C@@H](O)C[NH2+]1 ZINC001263169829 826748117 /nfs/dbraw/zinc/74/81/17/826748117.db2.gz YZOSWBMLVGLXHV-RUZUBIRVSA-N 2 0 267.373 -0.443 20 0 CBADRP CC1(C)CC[C@@H](CNC(=O)C2(C[NH3+])CC(O)C2)[NH2+]C1 ZINC001263171469 826748470 /nfs/dbraw/zinc/74/84/70/826748470.db2.gz RZKDHORSNRQHKO-IFQILLTASA-N 2 0 269.389 -0.019 20 0 CBADRP [NH3+][C@H]1CC=C(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001263169849 826748485 /nfs/dbraw/zinc/74/84/85/826748485.db2.gz ZNTJFENQDVIUNI-NWDGAFQWSA-N 2 0 253.346 -0.393 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001263169969 826748599 /nfs/dbraw/zinc/74/85/99/826748599.db2.gz CZSDOIUNGPMDHP-SGMGOOAPSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001263168260 826748605 /nfs/dbraw/zinc/74/86/05/826748605.db2.gz HXQHOXWHLQVWHT-UPJWGTAASA-N 2 0 269.389 -0.195 20 0 CBADRP CC[C@H](C(=O)N1CC[NH2+]C[C@@H]1CO)[NH+](CC)CC ZINC001263179988 826750024 /nfs/dbraw/zinc/75/00/24/826750024.db2.gz BHZIRFUEPWWBRC-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC001263192132 826752452 /nfs/dbraw/zinc/75/24/52/826752452.db2.gz OIUVJECQJGLZRR-LLVKDONJSA-N 2 0 290.358 -0.230 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001263212661 826753650 /nfs/dbraw/zinc/75/36/50/826753650.db2.gz ZKOKBVTUIXFTMC-XVKPBYJWSA-N 2 0 251.277 -0.719 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC001263212475 826753793 /nfs/dbraw/zinc/75/37/93/826753793.db2.gz UFCLUJVHZBVIMJ-ONGXEEELSA-N 2 0 277.315 -0.457 20 0 CBADRP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)CNCC[NH3+] ZINC001263231785 826755945 /nfs/dbraw/zinc/75/59/45/826755945.db2.gz QRHZLVWPXQQIPS-LBPRGKRZSA-N 2 0 256.394 -0.277 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC001263226094 826756011 /nfs/dbraw/zinc/75/60/11/826756011.db2.gz HMVZSEVRKGKKQN-KQXIARHKSA-N 2 0 253.346 -0.534 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC001263252943 826759387 /nfs/dbraw/zinc/75/93/87/826759387.db2.gz FPWNURBYUUVILN-VXGBXAGGSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)CNCC[NH3+])C[C@H]2C1 ZINC001263265930 826760269 /nfs/dbraw/zinc/76/02/69/826760269.db2.gz YCUDGGSMYAGJIN-JHJVBQTASA-N 2 0 268.405 -0.277 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@]12CC[NH2+]C2 ZINC001263259119 826760570 /nfs/dbraw/zinc/76/05/70/826760570.db2.gz NXQZAYSZGLPWMC-DGCLKSJQSA-N 2 0 253.346 -0.281 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCN1C[C@@H]2C ZINC001263746364 826774065 /nfs/dbraw/zinc/77/40/65/826774065.db2.gz KFTVVFLBJXOMEE-UONOGXRCSA-N 2 0 298.431 -0.541 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001263849380 826784674 /nfs/dbraw/zinc/78/46/74/826784674.db2.gz HLPMWNVINWKQLJ-TXEJJXNPSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CCO ZINC001264716781 826819878 /nfs/dbraw/zinc/81/98/78/826819878.db2.gz XCCVGELTDVFFMX-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCCO ZINC001264717892 826820076 /nfs/dbraw/zinc/82/00/76/826820076.db2.gz OJNDOXCLLGGUEL-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP CN(C)C(=O)C[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001265022933 826836592 /nfs/dbraw/zinc/83/65/92/826836592.db2.gz PTIGWFRKOPTURJ-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)[C@@H](C)C(N)=O ZINC001265145871 826851645 /nfs/dbraw/zinc/85/16/45/826851645.db2.gz CZHWOJXFPXVLGX-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCO)C1CC1 ZINC001265350754 826884797 /nfs/dbraw/zinc/88/47/97/826884797.db2.gz XCQKCPXNNGHJLS-RYUDHWBXSA-N 2 0 255.362 -0.443 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001265459660 826894216 /nfs/dbraw/zinc/89/42/16/826894216.db2.gz HXWYMWYSVVISRW-JTQLQIEISA-N 2 0 256.350 -0.998 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001265531547 826901375 /nfs/dbraw/zinc/90/13/75/826901375.db2.gz NCXFPFGYIPCZDM-AXFHLTTASA-N 2 0 268.361 -0.937 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001265554193 826903608 /nfs/dbraw/zinc/90/36/08/826903608.db2.gz MWSLLDLBPFFPCI-SDDRHHMPSA-N 2 0 257.378 -0.054 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccn(C)n1 ZINC001265818908 826924294 /nfs/dbraw/zinc/92/42/94/826924294.db2.gz VBGXMXHFDRURED-LLVKDONJSA-N 2 0 267.377 -0.034 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCOCCO ZINC001265864756 826932270 /nfs/dbraw/zinc/93/22/70/826932270.db2.gz WJSQDFGMDLNMBQ-NWDGAFQWSA-N 2 0 273.377 -0.959 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCOCCO ZINC001265864758 826932566 /nfs/dbraw/zinc/93/25/66/826932566.db2.gz WJSQDFGMDLNMBQ-RYUDHWBXSA-N 2 0 273.377 -0.959 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001266231251 826961956 /nfs/dbraw/zinc/96/19/56/826961956.db2.gz DLNXVHVUWNQGNA-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CCOCCO)C1 ZINC001266237427 826962110 /nfs/dbraw/zinc/96/21/10/826962110.db2.gz VUZROXDGJUAOCJ-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCOCCO)C1 ZINC001266336856 826983172 /nfs/dbraw/zinc/98/31/72/826983172.db2.gz XMEIGJBVVJIOFT-KBPBESRZSA-N 2 0 299.415 -0.330 20 0 CBADRP CC(C)OCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001266585209 827025803 /nfs/dbraw/zinc/02/58/03/827025803.db2.gz WKOSYAHNDYNCKZ-IHRRRGAJSA-N 2 0 299.415 -0.021 20 0 CBADRP CN(CC[NH2+]CCN1CCCC1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001266659854 827041566 /nfs/dbraw/zinc/04/15/66/827041566.db2.gz IRAHZQLAUIRPOB-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP CN(C)C(=O)C[NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001266731195 827057508 /nfs/dbraw/zinc/05/75/08/827057508.db2.gz UZIXMVFASNLJJC-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266808422 827071343 /nfs/dbraw/zinc/07/13/43/827071343.db2.gz ICNTYGFFUPZFHQ-JTQLQIEISA-N 2 0 256.350 -0.996 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCO ZINC001266965438 827098712 /nfs/dbraw/zinc/09/87/12/827098712.db2.gz UMNDLFFLXBNCJZ-SRVKXCTJSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCCO ZINC001266984512 827103096 /nfs/dbraw/zinc/10/30/96/827103096.db2.gz BYFJRXJGIJRNTL-VXGBXAGGSA-N 2 0 257.378 -0.195 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](C[NH2+]CCO)C2)C1 ZINC001267065397 827111716 /nfs/dbraw/zinc/11/17/16/827111716.db2.gz TXYPYZLEXSTGTB-STQMWFEESA-N 2 0 269.389 -0.241 20 0 CBADRP C[NH+](C)CCC(=O)NCC[N@H+](C)CCn1cncn1 ZINC001267215030 827131192 /nfs/dbraw/zinc/13/11/92/827131192.db2.gz GEUSAGJEWKZLGW-UHFFFAOYSA-N 2 0 268.365 -0.722 20 0 CBADRP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@H+](CCO)C1 ZINC001267300086 827145793 /nfs/dbraw/zinc/14/57/93/827145793.db2.gz KKHYPGXTAAWXTL-GFCCVEGCSA-N 2 0 257.378 -0.241 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001267355795 827156398 /nfs/dbraw/zinc/15/63/98/827156398.db2.gz ZZWOQGZBWARTJS-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001267390334 827163008 /nfs/dbraw/zinc/16/30/08/827163008.db2.gz NZSDYHFJBCDJFV-LLVKDONJSA-N 2 0 272.393 -0.537 20 0 CBADRP CN(C)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001267391322 827164908 /nfs/dbraw/zinc/16/49/08/827164908.db2.gz GMZHNLVFFREBDH-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP COC[C@H](O)C[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001267422086 827168540 /nfs/dbraw/zinc/16/85/40/827168540.db2.gz CNNBCBCANOTWOV-CYBMUJFWSA-N 2 0 287.404 -0.617 20 0 CBADRP CN(C)C(=O)C[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267456102 827173676 /nfs/dbraw/zinc/17/36/76/827173676.db2.gz LNWGSVACFWXJGM-GFCCVEGCSA-N 2 0 284.404 -0.536 20 0 CBADRP Cc1nnc(CNCCN(C)C(=O)C[NH+]2CCCC2)[nH]1 ZINC001267468632 827175893 /nfs/dbraw/zinc/17/58/93/827175893.db2.gz AIAAQENSPLBDNF-UHFFFAOYSA-N 2 0 280.376 -0.243 20 0 CBADRP CC(C)[C@@H](C(=O)NCC1C[NH+](CCO)C1)[NH+](C)C ZINC001267685213 827199905 /nfs/dbraw/zinc/19/99/05/827199905.db2.gz BGTOEJQYKWFCKM-LBPRGKRZSA-N 2 0 257.378 -0.387 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2C[NH+](CCO)C2)C1 ZINC001267695562 827201344 /nfs/dbraw/zinc/20/13/44/827201344.db2.gz ACEOQBHECIAROY-NSHDSACASA-N 2 0 255.362 -0.632 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](CC[NH2+]CC(N)=O)C2)C1 ZINC001267899712 827231709 /nfs/dbraw/zinc/23/17/09/827231709.db2.gz OFYCFEJXZLZOTJ-STQMWFEESA-N 2 0 296.415 -0.358 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](CC[NH2+]CC(N)=O)C2)C1 ZINC001267899710 827232345 /nfs/dbraw/zinc/23/23/45/827232345.db2.gz OFYCFEJXZLZOTJ-OLZOCXBDSA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001268215586 827261870 /nfs/dbraw/zinc/26/18/70/827261870.db2.gz QDYCCKNUDPXTJT-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP COCCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001268298281 827282845 /nfs/dbraw/zinc/28/28/45/827282845.db2.gz MONHWNZAHUSMTK-VXGBXAGGSA-N 2 0 273.377 -0.816 20 0 CBADRP COCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268320904 827298239 /nfs/dbraw/zinc/29/82/39/827298239.db2.gz QAWKRGQMYRERJL-AVGNSLFASA-N 2 0 287.404 -0.570 20 0 CBADRP CCN1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC=C(C)C)C1 ZINC001268335063 827308307 /nfs/dbraw/zinc/30/83/07/827308307.db2.gz OKRLDTAAXZOOFD-KBPBESRZSA-N 2 0 299.415 -0.260 20 0 CBADRP C[C@H](CC[NH2+]CCn1cncn1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268350298 827313439 /nfs/dbraw/zinc/31/34/39/827313439.db2.gz OOAHMOPHZRBGQZ-CHWSQXEVSA-N 2 0 294.403 -0.143 20 0 CBADRP C[C@H](CC[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268391112 827320409 /nfs/dbraw/zinc/32/04/09/827320409.db2.gz AQDWOAKMRWNXKI-WOPDTQHZSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001268391532 827321670 /nfs/dbraw/zinc/32/16/70/827321670.db2.gz CTYJUHUTUAVFMP-LLVKDONJSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H]([NH2+]C/C=C\CNC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001268550914 827362508 /nfs/dbraw/zinc/36/25/08/827362508.db2.gz XADQQHXNZKUFOX-BYCRGOAPSA-N 2 0 282.388 -0.394 20 0 CBADRP C[C@@H]([NH2+]C/C=C/CNC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001268550916 827363139 /nfs/dbraw/zinc/36/31/39/827363139.db2.gz XADQQHXNZKUFOX-PGLGOXFNSA-N 2 0 282.388 -0.394 20 0 CBADRP CNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268557077 827365932 /nfs/dbraw/zinc/36/59/32/827365932.db2.gz SMSQJGCQNTVEHE-ZYOFXKKJSA-N 2 0 282.388 -0.521 20 0 CBADRP CC[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001268579980 827369304 /nfs/dbraw/zinc/36/93/04/827369304.db2.gz UTFGTWXRSJWXBH-AAAGKOELSA-N 2 0 296.415 -0.003 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)C1(C[NH+](C)C)CC1 ZINC001268580866 827371934 /nfs/dbraw/zinc/37/19/34/827371934.db2.gz DDTJAZWGSKZROH-FOQNGQEVSA-N 2 0 296.415 -0.275 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001268597391 827375156 /nfs/dbraw/zinc/37/51/56/827375156.db2.gz RYTAPXNGGFPLLW-ZFDPJTLLSA-N 2 0 296.415 -0.003 20 0 CBADRP CC(C)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268628211 827382088 /nfs/dbraw/zinc/38/20/88/827382088.db2.gz ZQYOZJIMMIQQEH-DSYXLKISSA-N 2 0 296.415 -0.275 20 0 CBADRP C[C@H](C[NH2+]CCn1cncn1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268638977 827386649 /nfs/dbraw/zinc/38/66/49/827386649.db2.gz BOURXGDGFQNVKF-NEPJUHHUSA-N 2 0 280.376 -0.533 20 0 CBADRP C[C@H](C[NH2+]CCO)NC(=O)C12CCC[NH+]1CCC2 ZINC001268651358 827392182 /nfs/dbraw/zinc/39/21/82/827392182.db2.gz BPRRYTJKFFARTP-LLVKDONJSA-N 2 0 255.362 -0.299 20 0 CBADRP C[C@H](C[NH2+]CCO)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001268671349 827398105 /nfs/dbraw/zinc/39/81/05/827398105.db2.gz XUMATABVNGOZLU-YPMHNXCESA-N 2 0 255.362 -0.441 20 0 CBADRP C[C@H](C[NH2+]CCO)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001268675132 827399343 /nfs/dbraw/zinc/39/93/43/827399343.db2.gz XJDTWKNSLWKHKI-VXGBXAGGSA-N 2 0 273.377 -0.959 20 0 CBADRP C[C@@H](C[NH2+]CCn1cccn1)NC(=O)CC[NH+](C)C ZINC001268700156 827406545 /nfs/dbraw/zinc/40/65/45/827406545.db2.gz FAIYXPYVAGTPLA-LBPRGKRZSA-N 2 0 267.377 -0.071 20 0 CBADRP CN(CCC[NH2+][C@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001268834720 827428638 /nfs/dbraw/zinc/42/86/38/827428638.db2.gz BZLIWHFPGZQOGJ-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268847233 827430480 /nfs/dbraw/zinc/43/04/80/827430480.db2.gz FZWGCLAGFOEJNE-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(CC(=O)N1CCC2(CC[N@H+](C)C2)CC1)C(N)=[NH2+] ZINC001268995889 827447124 /nfs/dbraw/zinc/44/71/24/827447124.db2.gz DYQKWRCFIFPVOO-UHFFFAOYSA-N 2 0 267.377 -0.244 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN1CCOCCO ZINC001269271772 827486629 /nfs/dbraw/zinc/48/66/29/827486629.db2.gz CXTJCDGKTQCSAU-KGLIPLIRSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCO ZINC001269472128 827513022 /nfs/dbraw/zinc/51/30/22/827513022.db2.gz VSULKBZFCOMGKC-NWDGAFQWSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H](O)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001269522873 827516550 /nfs/dbraw/zinc/51/65/50/827516550.db2.gz UJUIITYNTJVKHT-VXGBXAGGSA-N 2 0 269.389 -0.053 20 0 CBADRP CN1CCN(CC(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3C)CC1 ZINC001270701931 827589969 /nfs/dbraw/zinc/58/99/69/827589969.db2.gz AQDNGPNRGZFIMY-STQMWFEESA-N 2 0 266.389 -0.461 20 0 CBADRP COCC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCOCC1 ZINC001271065024 827618151 /nfs/dbraw/zinc/61/81/51/827618151.db2.gz SNZBFLOZOSVKLY-UHFFFAOYSA-N 2 0 287.404 -0.161 20 0 CBADRP CC[N@H+](C)CC(=O)N1CC2(CCN2CC[NH+](C)C)C1 ZINC001271083103 827619290 /nfs/dbraw/zinc/61/92/90/827619290.db2.gz ADWVOOSZVAUXLQ-UHFFFAOYSA-N 2 0 268.405 -0.214 20 0 CBADRP C[C@@H](C[NH2+]CCO)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001271100267 827622698 /nfs/dbraw/zinc/62/26/98/827622698.db2.gz GUJFDMFEXPQEBR-NEPJUHHUSA-N 2 0 257.378 -0.243 20 0 CBADRP C[NH+](C)CCN1CCC12CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001271223193 827678346 /nfs/dbraw/zinc/67/83/46/827678346.db2.gz OGKYXMBHJRBZRJ-CYBMUJFWSA-N 2 0 280.416 -0.214 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001272273457 827776051 /nfs/dbraw/zinc/77/60/51/827776051.db2.gz LKJSHVTXCBPAME-CRWXNKLISA-N 2 0 281.400 -0.148 20 0 CBADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C ZINC001272272859 827776329 /nfs/dbraw/zinc/77/63/29/827776329.db2.gz CCRSYDCIIDHLTB-DMGDTADUSA-N 2 0 267.373 -0.207 20 0 CBADRP C[N@H+](CC(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1)C1CCC1 ZINC001272457478 827803143 /nfs/dbraw/zinc/80/31/43/827803143.db2.gz QOMBMKAHWYRBFI-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCF ZINC001272496346 827808712 /nfs/dbraw/zinc/80/87/12/827808712.db2.gz NOZPUPOKZXWFFA-QWRGUYRKSA-N 2 0 261.341 -0.493 20 0 CBADRP CNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001272544398 827817118 /nfs/dbraw/zinc/81/71/18/827817118.db2.gz ITEBDQKRJGXBNV-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CC1CC[NH+](CC(=O)NC[C@@H](O)C[NH2+]CCCO)CC1 ZINC001272553812 827820781 /nfs/dbraw/zinc/82/07/81/827820781.db2.gz RLDFGCRGZHRNOB-ZDUSSCGKSA-N 2 0 287.404 -0.833 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCF ZINC001272582926 827824909 /nfs/dbraw/zinc/82/49/09/827824909.db2.gz DFXZIXKUVRUAJN-NEPJUHHUSA-N 2 0 275.368 -0.103 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]CC1CC1 ZINC001272583519 827826113 /nfs/dbraw/zinc/82/61/13/827826113.db2.gz IOUHQGCRSHRXQM-LBPRGKRZSA-N 2 0 255.362 -0.441 20 0 CBADRP C[C@H](CC[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001272688019 827833047 /nfs/dbraw/zinc/83/30/47/827833047.db2.gz FDAKPBGFCFDFIQ-YPMHNXCESA-N 2 0 294.403 -0.106 20 0 CBADRP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001272781807 827838783 /nfs/dbraw/zinc/83/87/83/827838783.db2.gz JVHUSWDHNSCCHC-WCQYABFASA-N 2 0 296.415 -0.441 20 0 CBADRP CCCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273175948 827872337 /nfs/dbraw/zinc/87/23/37/827872337.db2.gz MVHHXPIMVWLWTI-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCO[C@H](C[NH2+]CCCO)C1 ZINC001273309330 827887484 /nfs/dbraw/zinc/88/74/84/827887484.db2.gz WROFHUGFDOMDLT-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP CCN(CC[NH2+]C[C@@H](C)O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001273298490 827888398 /nfs/dbraw/zinc/88/83/98/827888398.db2.gz QRYXFECXYXGWMP-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC1CC1 ZINC001273912208 827941325 /nfs/dbraw/zinc/94/13/25/827941325.db2.gz WYCRGVALIKPUGW-ZRMMWKCHSA-N 2 0 294.399 -0.379 20 0 CBADRP COC(=O)C[N@@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273931481 827943590 /nfs/dbraw/zinc/94/35/90/827943590.db2.gz LGBSCKDIDCJZNI-AWEZNQCLSA-N 2 0 283.372 -0.355 20 0 CBADRP CCOCC[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273958192 827946724 /nfs/dbraw/zinc/94/67/24/827946724.db2.gz AOIRMLSWMRIEMG-HNNXBMFYSA-N 2 0 299.415 -0.112 20 0 CBADRP C[C@H](O)C[N@@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001274047321 827956185 /nfs/dbraw/zinc/95/61/85/827956185.db2.gz OBXIGXXZAVSUOD-JSGCOSHPSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274045834 827956493 /nfs/dbraw/zinc/95/64/93/827956493.db2.gz ABUICSFZDHGUBH-SWLSCSKDSA-N 2 0 297.399 -0.230 20 0 CBADRP C[NH+](C)CCN1CC2(CCC1=O)CC[NH+](CC(N)=O)CC2 ZINC001274061147 827960941 /nfs/dbraw/zinc/96/09/41/827960941.db2.gz AKHGNUHXTHHJTL-UHFFFAOYSA-N 2 0 296.415 -0.262 20 0 CBADRP CC[C@H](C(=O)NC/C=C/C[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001274126132 827969276 /nfs/dbraw/zinc/96/92/76/827969276.db2.gz XVHIJRSMWWFNOK-FQLSZKSXSA-N 2 0 270.377 -0.538 20 0 CBADRP C[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001274262826 827979297 /nfs/dbraw/zinc/97/92/97/827979297.db2.gz IQVZDDNPBFUQSR-CBZSPVTBSA-N 2 0 268.361 -0.784 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]CCCO)CC1 ZINC001274502556 827995292 /nfs/dbraw/zinc/99/52/92/827995292.db2.gz UAZUVBYAOQKBLU-CYBMUJFWSA-N 2 0 299.415 -0.594 20 0 CBADRP CC[C@H](C(=O)NC/C=C\C[NH2+]C[C@H](C)O)[NH+](C)C ZINC001274512528 827996289 /nfs/dbraw/zinc/99/62/89/827996289.db2.gz ZUTCERPDOVZASN-QHDQMSKJSA-N 2 0 257.378 -0.031 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)NC2CC2)C1 ZINC001274578078 828003023 /nfs/dbraw/zinc/00/30/23/828003023.db2.gz FBONLOBBJLDQJV-JDGPPOGSSA-N 2 0 294.399 -0.521 20 0 CBADRP COCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001274981503 828048343 /nfs/dbraw/zinc/04/83/43/828048343.db2.gz JRAGRPVHEBMZPT-BETUJISGSA-N 2 0 257.378 -0.421 20 0 CBADRP C[NH+](C)CCN1CC[N@H+](C)C[C@]2(CCCC(=O)N2)C1 ZINC001275047458 828053286 /nfs/dbraw/zinc/05/32/86/828053286.db2.gz UJUBYRHBHOGSFA-CQSZACIVSA-N 2 0 268.405 -0.166 20 0 CBADRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1CCC(=O)N1)C2 ZINC001275189192 828064957 /nfs/dbraw/zinc/06/49/57/828064957.db2.gz ZIVKYOGGWRXIJH-RDBSUJKOSA-N 2 0 280.416 -0.167 20 0 CBADRP C[NH+](C)CCN1CCO[C@H]2CN(Cc3ccnnc3)C[C@H]21 ZINC001275880038 828119324 /nfs/dbraw/zinc/11/93/24/828119324.db2.gz UUJHKFUNFOZDET-CABCVRRESA-N 2 0 291.399 -0.077 20 0 CBADRP CN(CCC[NH2+]CC(N)=O)C(=O)C1([NH+](C)C)CCC1 ZINC001276048010 828132371 /nfs/dbraw/zinc/13/23/71/828132371.db2.gz KXQKZJDLZWENNH-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](CCO)C1 ZINC001276448709 828146583 /nfs/dbraw/zinc/14/65/83/828146583.db2.gz ZCNFHDCGCJWHET-NSHDSACASA-N 2 0 257.378 -0.243 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CCCO ZINC001276963922 828169084 /nfs/dbraw/zinc/16/90/84/828169084.db2.gz NVEUVJZVNIPFIW-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001277093943 828175415 /nfs/dbraw/zinc/17/54/15/828175415.db2.gz GHDYRVYTSHCKRQ-JTQLQIEISA-N 2 0 268.361 -0.806 20 0 CBADRP C[C@@H](O)C[NH2+]C1(CNC(=O)Cc2cncn2C)CC1 ZINC001277224844 828180277 /nfs/dbraw/zinc/18/02/77/828180277.db2.gz LZAGXJOBSVPZOR-SNVBAGLBSA-N 2 0 266.345 -0.418 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1)C(N)=O ZINC001277246429 828180877 /nfs/dbraw/zinc/18/08/77/828180877.db2.gz ZHOJYNLRFAVPJY-JTQLQIEISA-N 2 0 268.361 -0.806 20 0 CBADRP C[NH+]1CC2(C1)CC[NH+](CC(=O)N1CCOCC1)CC2 ZINC001277504130 828191916 /nfs/dbraw/zinc/19/19/16/828191916.db2.gz QSPDWOSZMIGMDX-UHFFFAOYSA-N 2 0 267.373 -0.127 20 0 CBADRP CN(C)C(=O)CC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277637406 828200268 /nfs/dbraw/zinc/20/02/68/828200268.db2.gz WTHLWXGGNGIBIJ-KGLIPLIRSA-N 2 0 298.431 -0.589 20 0 CBADRP C[NH+]1CCC(CC[N@H+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)CC1 ZINC001277839872 828213122 /nfs/dbraw/zinc/21/31/22/828213122.db2.gz ZPFXWLXIHJHFMZ-NWDGAFQWSA-N 2 0 280.372 -0.110 20 0 CBADRP C[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CCO)CC1 ZINC001277932579 828220199 /nfs/dbraw/zinc/22/01/99/828220199.db2.gz JKVXBNNQJFLLQI-ZDUSSCGKSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H](CO)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001277994372 828228181 /nfs/dbraw/zinc/22/81/81/828228181.db2.gz MNHIBXWBJYKOOG-YNEHKIRRSA-N 2 0 281.400 -0.243 20 0 CBADRP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CC(N)=O ZINC001277986680 828228192 /nfs/dbraw/zinc/22/81/92/828228192.db2.gz BJVCNKCIMFZTBH-JTQLQIEISA-N 2 0 268.361 -0.996 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001278027368 828231479 /nfs/dbraw/zinc/23/14/79/828231479.db2.gz DGRRQZPUQXZPRA-QWHCGFSZSA-N 2 0 268.405 -0.310 20 0 CBADRP C[NH+](C)CCCN1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001278057386 828239504 /nfs/dbraw/zinc/23/95/04/828239504.db2.gz IWKGSPIOCJPSCT-CABCVRRESA-N 3 0 284.448 -0.115 20 0 CBADRP CN1[C@H]2COC[C@@H]1C[N@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001278117586 828248639 /nfs/dbraw/zinc/24/86/39/828248639.db2.gz SYAXYTGRGGRKAT-GASCZTMLSA-N 2 0 282.432 -0.361 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@H](CO)[NH2+]CC2CC2)CC1 ZINC001278139707 828251421 /nfs/dbraw/zinc/25/14/21/828251421.db2.gz VQYRBZLTSOQDFS-GFCCVEGCSA-N 2 0 269.389 -0.195 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CC2CC2)CC1 ZINC001278147714 828252424 /nfs/dbraw/zinc/25/24/24/828252424.db2.gz NDSRILSWDSJVAI-CYBMUJFWSA-N 2 0 269.389 -0.195 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CCF)CC1 ZINC001278148365 828253254 /nfs/dbraw/zinc/25/32/54/828253254.db2.gz SYLCLZVEWULFKP-LLVKDONJSA-N 2 0 261.341 -0.636 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]CCF)C1 ZINC001278155298 828253284 /nfs/dbraw/zinc/25/32/84/828253284.db2.gz OXRYGKLXFYZOEW-WDEREUQCSA-N 2 0 261.341 -0.636 20 0 CBADRP C[C@@H](O)CCC[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001278178621 828255674 /nfs/dbraw/zinc/25/56/74/828255674.db2.gz JWFZQXCXUYNYKE-OLZOCXBDSA-N 2 0 299.415 -0.690 20 0 CBADRP CC(C)[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001278179656 828256959 /nfs/dbraw/zinc/25/69/59/828256959.db2.gz SVNQJSZBVUOSNN-NEPJUHHUSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CCCC[NH+](C)C ZINC001278417777 828269936 /nfs/dbraw/zinc/26/99/36/828269936.db2.gz XNGSGVWWOBGALG-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CCOCCO)CN1C(=O)C[NH+]1CCCC1 ZINC001278423191 828270249 /nfs/dbraw/zinc/27/02/49/828270249.db2.gz IHFPULJVUJPKHF-KBPBESRZSA-N 2 0 299.415 -0.330 20 0 CBADRP CN(C[C@@H](O)C[NH2+]CCF)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001278737763 828280051 /nfs/dbraw/zinc/28/00/51/828280051.db2.gz UHVVTHJGFGJRLU-QWRGUYRKSA-N 2 0 261.341 -0.541 20 0 CBADRP COCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001278790650 828289347 /nfs/dbraw/zinc/28/93/47/828289347.db2.gz HECIPQVFZKDGCS-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC001348308658 890593643 /nfs/dbraw/zinc/59/36/43/890593643.db2.gz OUUVQCNOHDALLQ-OUAUKWLOSA-N 2 0 268.361 -0.937 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)C[NH+]1CCCC1 ZINC001348649020 890675974 /nfs/dbraw/zinc/67/59/74/890675974.db2.gz UWLRQDGDBRVDAO-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCN(C(=O)C2([NH+](C)C)CC2)C1 ZINC001348966785 890736916 /nfs/dbraw/zinc/73/69/16/890736916.db2.gz XPUYBICXPPKWNG-LBPRGKRZSA-N 2 0 255.362 -0.394 20 0 CBADRP CC[NH2+]CCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001326092119 884904781 /nfs/dbraw/zinc/90/47/81/884904781.db2.gz VEVHJIYHAPEYGL-LBPRGKRZSA-N 2 0 257.378 -0.241 20 0 CBADRP NC(=O)NC(=O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326276417 884967076 /nfs/dbraw/zinc/96/70/76/884967076.db2.gz AIQQEUODEQNCTB-UHFFFAOYSA-N 2 0 254.334 -0.353 20 0 CBADRP O=C(NCc1nc([C@H]2CCC[NH2+]2)no1)[C@@H]1CCC[NH2+]1 ZINC001326487209 885044880 /nfs/dbraw/zinc/04/48/80/885044880.db2.gz SYFMBUFSJFWQIZ-BDAKNGLRSA-N 2 0 265.317 -0.138 20 0 CBADRP C[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC[C@H]1[NH3+] ZINC001326501400 885049674 /nfs/dbraw/zinc/04/96/74/885049674.db2.gz DYNOBXYBQZMPKM-FRRDWIJNSA-N 3 0 268.405 -0.147 20 0 CBADRP C[NH2+]CC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001326600017 885082414 /nfs/dbraw/zinc/08/24/14/885082414.db2.gz ZFKICGUUFPHHFG-SNVBAGLBSA-N 2 0 252.322 -0.880 20 0 CBADRP C[C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)N1CC[NH+](C)CC1 ZINC001326625395 885094979 /nfs/dbraw/zinc/09/49/79/885094979.db2.gz DHYQNWDIRHMNMF-OLZOCXBDSA-N 2 0 285.436 -0.983 20 0 CBADRP Cn1cncc1CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001326612704 885088791 /nfs/dbraw/zinc/08/87/91/885088791.db2.gz CIPGBLJHMWLLLU-GFCCVEGCSA-N 2 0 264.329 -0.760 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001326806029 885157207 /nfs/dbraw/zinc/15/72/07/885157207.db2.gz DSOVIYYEVCFBAF-MXWKQRLJSA-N 2 0 270.377 -0.752 20 0 CBADRP [NH3+]CC1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001326819948 885166240 /nfs/dbraw/zinc/16/62/40/885166240.db2.gz CEDFYMMGPBSCIR-NSHDSACASA-N 2 0 268.361 -0.948 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CCCO1 ZINC001326938119 885196569 /nfs/dbraw/zinc/19/65/69/885196569.db2.gz OYCJYLVTRRVOQB-RYUDHWBXSA-N 2 0 267.373 -0.048 20 0 CBADRP C[C@H]([NH3+])C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001328180849 885592927 /nfs/dbraw/zinc/59/29/27/885592927.db2.gz BXYLOXJQYTVULG-WDEREUQCSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]C[C@@H]1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC001328435769 885684332 /nfs/dbraw/zinc/68/43/32/885684332.db2.gz DALUNHIABXBLAL-UWVGGRQHSA-N 2 0 263.345 -0.093 20 0 CBADRP C[NH2+]C1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001329297684 886004450 /nfs/dbraw/zinc/00/44/50/886004450.db2.gz DSGHSMLOOZCZOH-NSHDSACASA-N 2 0 268.361 -0.935 20 0 CBADRP C[C@H](NC(=O)[C@H](N)CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001329757839 886198055 /nfs/dbraw/zinc/19/80/55/886198055.db2.gz CMLSGWFCEODZCG-QJPTWQEYSA-N 2 0 256.394 -0.230 20 0 CBADRP O=C(C[N@@H+]1CCC[C@@H]2OCC[C@@H]21)N1CC[NH2+]CC1 ZINC001329924925 886280246 /nfs/dbraw/zinc/28/02/46/886280246.db2.gz FPKQSDSJERRBCD-RYUDHWBXSA-N 2 0 253.346 -0.329 20 0 CBADRP Cn1ncc(C[NH2+]CCCC[NH+]2CCN(C)CC2)n1 ZINC001330333925 886420241 /nfs/dbraw/zinc/42/02/41/886420241.db2.gz JRBQGSJYTBTCRL-UHFFFAOYSA-N 2 0 266.393 -0.068 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC001330365445 886427902 /nfs/dbraw/zinc/42/79/02/886427902.db2.gz PJYUUMVSTPTZRU-XYYAHUGASA-N 2 0 269.389 -0.387 20 0 CBADRP CC[NH+]1CCN(CCC[NH2+]Cc2ncnn2C)CC1 ZINC001330808688 886580702 /nfs/dbraw/zinc/58/07/02/886580702.db2.gz BMDYJXATSDDQQU-UHFFFAOYSA-N 2 0 266.393 -0.068 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001330861540 886600237 /nfs/dbraw/zinc/60/02/37/886600237.db2.gz KFECCKDETZNTFQ-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP O=C(CCC1C[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001331039855 886652377 /nfs/dbraw/zinc/65/23/77/886652377.db2.gz CRKNSXFLLAWTIW-ZDUSSCGKSA-N 2 0 266.389 -0.508 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001331052825 886660253 /nfs/dbraw/zinc/66/02/53/886660253.db2.gz KDZJKJHEWUVUKE-OPRDCNLKSA-N 2 0 250.302 -0.382 20 0 CBADRP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001331406929 886795393 /nfs/dbraw/zinc/79/53/93/886795393.db2.gz PICCISDWSISZES-NXEZZACHSA-N 2 0 256.350 -0.998 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]([NH3+])C2)cn1 ZINC001331708062 886923905 /nfs/dbraw/zinc/92/39/05/886923905.db2.gz QTRXQKDWJRWKEU-NSHDSACASA-N 2 0 251.334 -0.382 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001331724923 886938532 /nfs/dbraw/zinc/93/85/32/886938532.db2.gz IGJQVHUKDUKLRL-SRVKXCTJSA-N 2 0 256.394 -0.101 20 0 CBADRP C[C@H](O)[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC001331771615 886967856 /nfs/dbraw/zinc/96/78/56/886967856.db2.gz SECQRTKXJJEQGX-NWDGAFQWSA-N 2 0 269.389 -0.101 20 0 CBADRP C[N@H+](CCNC(=O)Cc1c[nH]cn1)CCOCCO ZINC001332315023 887198709 /nfs/dbraw/zinc/19/87/09/887198709.db2.gz SYTHZAPWALZYRB-UHFFFAOYSA-N 2 0 270.333 -0.991 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NCCC[NH+]1CCC(O)CC1 ZINC001332500669 887322817 /nfs/dbraw/zinc/32/28/17/887322817.db2.gz WTWBXCAFAPKJGB-LBPRGKRZSA-N 2 0 285.388 -0.672 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCCC(C)(C)[NH3+] ZINC001332562781 887354725 /nfs/dbraw/zinc/35/47/25/887354725.db2.gz CRKURZBUUDLUNT-GFCCVEGCSA-N 2 0 260.382 -0.274 20 0 CBADRP C(c1nc(C2CC2)no1)N1CC[NH2+]CC[NH2+]CC1 ZINC001332816081 887437954 /nfs/dbraw/zinc/43/79/54/887437954.db2.gz ORXAZDNAYYOBKF-UHFFFAOYSA-N 2 0 251.334 -0.058 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001333177612 887552101 /nfs/dbraw/zinc/55/21/01/887552101.db2.gz FQTFDCWKQXRRLO-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCC(O)(C[NH3+])CC1 ZINC001333184199 887555098 /nfs/dbraw/zinc/55/50/98/887555098.db2.gz STZQINIPKTYXSB-JTQLQIEISA-N 2 0 255.362 -0.456 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001333531571 887675502 /nfs/dbraw/zinc/67/55/02/887675502.db2.gz BHYSDAMCZDTTJO-RNFRBKRXSA-N 2 0 268.321 -0.824 20 0 CBADRP FC(F)(F)Cn1nnc(CN2CC[NH2+]CC[NH2+]CC2)n1 ZINC001334339820 887926772 /nfs/dbraw/zinc/92/67/72/887926772.db2.gz ZRSCNRMHOWVZGP-UHFFFAOYSA-N 2 0 293.297 -0.770 20 0 CBADRP [NH3+]CC(C[NH3+])NCC(=O)NCc1ccccc1F ZINC001334339226 887927226 /nfs/dbraw/zinc/92/72/26/887927226.db2.gz WWVOTKPEDCKSFN-UHFFFAOYSA-N 2 0 254.309 -0.683 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)c1ccn(CCC[NH3+])n1 ZINC001335265047 888475744 /nfs/dbraw/zinc/47/57/44/888475744.db2.gz PHVQEBMXPWOIFV-JTQLQIEISA-N 2 0 253.350 -0.183 20 0 CBADRP CN(C)CC[NH+]1CCC(C[NH2+]CCC(=O)NC(N)=O)CC1 ZINC001335350320 888511751 /nfs/dbraw/zinc/51/17/51/888511751.db2.gz GQBRARUAQPXWSK-UHFFFAOYSA-N 2 0 299.419 -0.565 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC001335680252 888601554 /nfs/dbraw/zinc/60/15/54/888601554.db2.gz WFIWFRUWJJXXGO-VHSXEESVSA-N 2 0 256.350 -0.728 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001335692909 888604125 /nfs/dbraw/zinc/60/41/25/888604125.db2.gz UGRUDOAKQUUSCV-QJPTWQEYSA-N 2 0 270.377 -0.243 20 0 CBADRP CCOC(=O)CC[C@@H](O)C[NH2+]CCN1CC[NH+](C)CC1 ZINC001336728176 888858137 /nfs/dbraw/zinc/85/81/37/888858137.db2.gz UTSXIUGWALLQFW-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP C[C@@H](O)[C@H](C)[NH2+]CC(=O)NCC[NH+]1CCCCC1 ZINC001336829818 888894034 /nfs/dbraw/zinc/89/40/34/888894034.db2.gz FHBBIKSZRKKYCM-NWDGAFQWSA-N 2 0 257.378 -0.053 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001336907517 888915801 /nfs/dbraw/zinc/91/58/01/888915801.db2.gz HDJBYABIOBOXHV-LNFKQOIKSA-N 2 0 254.334 -0.833 20 0 CBADRP CC[NH2+]CCNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001336905765 888916392 /nfs/dbraw/zinc/91/63/92/888916392.db2.gz IXVZWJIBGFEFFH-QWHCGFSZSA-N 2 0 284.404 -0.164 20 0 CBADRP CCO[C@H](CNC(=O)NC/C=C/C[NH3+])C[NH+](C)C ZINC001336901978 888913069 /nfs/dbraw/zinc/91/30/69/888913069.db2.gz YZFULMVISFXCBJ-MVIFTORASA-N 2 0 258.366 -0.233 20 0 CBADRP CCC1([NH3+])CCN(C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001336947268 888930388 /nfs/dbraw/zinc/93/03/88/888930388.db2.gz OXRWQAUYNPAIJU-UHFFFAOYSA-N 2 0 283.420 -0.196 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N(C)CCOCC[NH3+] ZINC001336961164 888933407 /nfs/dbraw/zinc/93/34/07/888933407.db2.gz PZPNRQRWUVJLJH-VXGBXAGGSA-N 2 0 272.393 -0.151 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001337037341 888952281 /nfs/dbraw/zinc/95/22/81/888952281.db2.gz PIRUASUDRMGZTD-OUAUKWLOSA-N 2 0 252.362 -0.155 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)NCCCC[NH3+])CCC1(C)C ZINC001337456143 889014718 /nfs/dbraw/zinc/01/47/18/889014718.db2.gz SYAQKXFSFKBRRM-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC001338646798 889186422 /nfs/dbraw/zinc/18/64/22/889186422.db2.gz TZIIATPXCPHGFR-NWDGAFQWSA-N 2 0 272.393 -0.151 20 0 CBADRP CO[C@@H](C)CNC(=O)NCCN1CCC([NH3+])CC1 ZINC001338653378 889186916 /nfs/dbraw/zinc/18/69/16/889186916.db2.gz GIPPYPDEYOFHEL-JTQLQIEISA-N 2 0 258.366 -0.256 20 0 CBADRP C[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001339851757 889332749 /nfs/dbraw/zinc/33/27/49/889332749.db2.gz ATMSPVLGANTDJI-CYBMUJFWSA-N 2 0 269.389 -0.241 20 0 CBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CO)[C@H](C)C1 ZINC001340092315 889382962 /nfs/dbraw/zinc/38/29/62/889382962.db2.gz AELYAQICDSRSEP-UPJWGTAASA-N 2 0 287.404 -0.441 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001340205517 889407263 /nfs/dbraw/zinc/40/72/63/889407263.db2.gz MFHCGAZODNOTSJ-UPJWGTAASA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001340140391 889394438 /nfs/dbraw/zinc/39/44/38/889394438.db2.gz SESYUVIZXNAIFQ-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001340147722 889394467 /nfs/dbraw/zinc/39/44/67/889394467.db2.gz NFNWWEAIWIRQLB-DYEKYZERSA-N 2 0 267.373 -0.129 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)CNCC[NH3+])Cc1ccccc1 ZINC001340140451 889394495 /nfs/dbraw/zinc/39/44/95/889394495.db2.gz UMRDDEQDXVDAHA-AWEZNQCLSA-N 2 0 278.400 -0.176 20 0 CBADRP C[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1)C[NH+]1CCCC1 ZINC001340182986 889404146 /nfs/dbraw/zinc/40/41/46/889404146.db2.gz GRQUSNKTKZMZMB-DYEKYZERSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C[C@H]1C[NH3+] ZINC001340471109 889437172 /nfs/dbraw/zinc/43/71/72/889437172.db2.gz HAYYNPGMHLZLBR-UZWSLXQKSA-N 2 0 255.362 -0.457 20 0 CBADRP [NH3+]CCNCC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC001340469558 889437339 /nfs/dbraw/zinc/43/73/39/889437339.db2.gz NOTVSQQNAVRKQZ-RYUDHWBXSA-N 2 0 254.378 -0.475 20 0 CBADRP [NH3+][C@@H]1C[C@H](C(=O)N[C@H]2COC3(C[NH2+]C3)C2)[C@H]2C[C@H]21 ZINC001340617400 889456324 /nfs/dbraw/zinc/45/63/24/889456324.db2.gz XNSKCAJPVNFOEY-NZHYYXIDSA-N 2 0 251.330 -0.783 20 0 CBADRP CC(C)(C[NH3+])CC(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001340727215 889473022 /nfs/dbraw/zinc/47/30/22/889473022.db2.gz MIERGDHFBWHZHR-NSHDSACASA-N 2 0 257.378 -0.066 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC001340676236 889463971 /nfs/dbraw/zinc/46/39/71/889463971.db2.gz JBSLCOQDETVYSF-OPQQBVKSSA-N 2 0 269.345 -0.393 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC001340676233 889465806 /nfs/dbraw/zinc/46/58/06/889465806.db2.gz JBSLCOQDETVYSF-BREBYQMCSA-N 2 0 269.345 -0.393 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)C1([NH3+])CC2(CCC2)C1 ZINC001340860999 889501839 /nfs/dbraw/zinc/50/18/39/889501839.db2.gz APYPZLDLZZFHHM-SNVBAGLBSA-N 2 0 255.362 -0.313 20 0 CBADRP CC[NH+](CC)C[C@H]1CCN(C(=O)CNCC[NH3+])C1 ZINC001340880345 889502498 /nfs/dbraw/zinc/50/24/98/889502498.db2.gz LXLQLMYUMPEZNU-GFCCVEGCSA-N 2 0 256.394 -0.275 20 0 CBADRP O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CC[NH2+]C[C@@H]1CO ZINC001340953926 889522347 /nfs/dbraw/zinc/52/23/47/889522347.db2.gz PHQUZPTTZXIYCT-UPJWGTAASA-N 2 0 267.373 -0.204 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001341116751 889544100 /nfs/dbraw/zinc/54/41/00/889544100.db2.gz SFJJVWATQPDGQW-WCQYABFASA-N 2 0 257.378 -0.067 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC001341116716 889545544 /nfs/dbraw/zinc/54/55/44/889545544.db2.gz RIVNEBNZUXTYID-DMDPSCGWSA-N 2 0 255.362 -0.184 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001341056078 889536771 /nfs/dbraw/zinc/53/67/71/889536771.db2.gz GVDYUOUZKVEQMC-FSDSQADBSA-N 2 0 269.267 -0.567 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001341035377 889537475 /nfs/dbraw/zinc/53/74/75/889537475.db2.gz IEIAOZPSZKEUBZ-RNCFNFMXSA-N 2 0 263.345 -0.280 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC001341065073 889539638 /nfs/dbraw/zinc/53/96/38/889539638.db2.gz WCUGJWMVUSNWRQ-UWVGGRQHSA-N 2 0 254.334 -0.310 20 0 CBADRP CCN1CCO[C@@H](C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC001341154550 889552062 /nfs/dbraw/zinc/55/20/62/889552062.db2.gz VEXDHBGBQUUGME-IJLUTSLNSA-N 2 0 255.362 -0.240 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC001341370091 889583284 /nfs/dbraw/zinc/58/32/84/889583284.db2.gz VSDYGPHHRXQWOI-JBLDHEPKSA-N 2 0 251.330 -0.767 20 0 CBADRP O=C(CC[NH2+]CC1CC1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001341368798 889584665 /nfs/dbraw/zinc/58/46/65/889584665.db2.gz PVKRVCNFCFVSBK-NSHDSACASA-N 2 0 253.346 -0.377 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CC[NH2+]CC1)C2 ZINC001341594770 889628188 /nfs/dbraw/zinc/62/81/88/889628188.db2.gz QVFHXNKLSLFVHR-TUAOUCFPSA-N 2 0 252.362 -0.770 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC001341553928 889622221 /nfs/dbraw/zinc/62/22/21/889622221.db2.gz RILLCKIIXPYQTM-MXWKQRLJSA-N 2 0 252.362 -0.724 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1CC2(C1)C[C@@H]([NH3+])CCO2 ZINC001341638135 889638184 /nfs/dbraw/zinc/63/81/84/889638184.db2.gz OAGCQXMINIPWEN-SSTAHTEZSA-N 2 0 267.373 -0.003 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C[C@H](O)C[NH2+]1 ZINC001341664712 889641614 /nfs/dbraw/zinc/64/16/14/889641614.db2.gz DLZZDNFSWIPBCF-YUTCNCBUSA-N 2 0 267.373 -0.299 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001341672223 889645157 /nfs/dbraw/zinc/64/51/57/889645157.db2.gz BQFDFTJPWKLWAE-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001341797856 889666399 /nfs/dbraw/zinc/66/63/99/889666399.db2.gz NZGFQAWNUFBROC-GRYCIOLGSA-N 2 0 269.389 -0.067 20 0 CBADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H]([NH3+])CO)CC1 ZINC001341956810 889689289 /nfs/dbraw/zinc/68/92/89/889689289.db2.gz CUMDBMIXSCUZFY-MNOVXSKESA-N 2 0 255.362 -0.457 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCN([C@H](CC)C(N)=O)C1 ZINC001443775871 912272493 /nfs/dbraw/zinc/27/24/93/912272493.db2.gz DFOMQLPNLKVXOS-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP COC[C@@]1(C(=O)N2CCC3(C[NH2+]C3)CC2)CC[NH2+]C1 ZINC001342171455 889723839 /nfs/dbraw/zinc/72/38/39/889723839.db2.gz GSQOBEREDMPMRI-CQSZACIVSA-N 2 0 267.373 -0.176 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)CCNC(=O)[C@H]([NH3+])C(C)C ZINC001342175118 889726630 /nfs/dbraw/zinc/72/66/30/889726630.db2.gz CQVZSIZAUJWUTL-MWLCHTKSSA-N 2 0 258.366 -0.800 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@H]1[NH2+]CC12CCCC2 ZINC001342214884 889732584 /nfs/dbraw/zinc/73/25/84/889732584.db2.gz HTBLTTVCHDLPFG-WDEREUQCSA-N 2 0 265.357 -0.234 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]([NH3+])c1ccccc1 ZINC001342256598 889741124 /nfs/dbraw/zinc/74/11/24/889741124.db2.gz SGHCQNQZFDPKMG-VXGBXAGGSA-N 2 0 251.330 -0.275 20 0 CBADRP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N(C)C ZINC001443907738 912303276 /nfs/dbraw/zinc/30/32/76/912303276.db2.gz ZNJIJZUOBFGTQR-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001342335573 889755128 /nfs/dbraw/zinc/75/51/28/889755128.db2.gz ZIMMJBODDWEICU-GRYCIOLGSA-N 2 0 255.362 -0.313 20 0 CBADRP CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H](C)C(N)=O ZINC001443941020 912307039 /nfs/dbraw/zinc/30/70/39/912307039.db2.gz YQANOEJKGLMXEJ-WDEREUQCSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H](C)C(N)=O ZINC001443941018 912310265 /nfs/dbraw/zinc/31/02/65/912310265.db2.gz YQANOEJKGLMXEJ-QWRGUYRKSA-N 2 0 284.404 -0.171 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001342415158 889770434 /nfs/dbraw/zinc/77/04/34/889770434.db2.gz HWAAGBNWDWNLIH-KXUCPTDWSA-N 2 0 257.334 -0.761 20 0 CBADRP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]CC(=O)NC ZINC001444026669 912331811 /nfs/dbraw/zinc/33/18/11/912331811.db2.gz DAHXHOVZLMRVLJ-NSHDSACASA-N 2 0 272.393 -0.443 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001342583134 889794382 /nfs/dbraw/zinc/79/43/82/889794382.db2.gz JIRIOLLMROHTRE-NQBHXWOUSA-N 2 0 255.362 -0.001 20 0 CBADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC1CC1 ZINC001444034499 912333419 /nfs/dbraw/zinc/33/34/19/912333419.db2.gz HLIFTRCFHGUPKN-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)C[C@H]1[NH3+] ZINC001342648844 889810016 /nfs/dbraw/zinc/81/00/16/889810016.db2.gz LPEZQMSBRSSNTB-DDHJBXDOSA-N 2 0 252.362 -0.820 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]CC(N)=O)CCCC1 ZINC001444089144 912359285 /nfs/dbraw/zinc/35/92/85/912359285.db2.gz PCRCGKOITRGZJK-UHFFFAOYSA-N 2 0 284.404 -0.170 20 0 CBADRP CN1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC[N@H+](C)CC1 ZINC001343026782 889859885 /nfs/dbraw/zinc/85/98/85/889859885.db2.gz WVZMEPOGJAHLBK-ZDUSSCGKSA-N 2 0 284.404 -0.929 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)C1 ZINC001343088279 889867683 /nfs/dbraw/zinc/86/76/83/889867683.db2.gz VXUBUVQPABZXCH-KWBADKCTSA-N 2 0 266.345 -0.262 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC001343181924 889875676 /nfs/dbraw/zinc/87/56/76/889875676.db2.gz UANFGVWSCGYNON-QWRGUYRKSA-N 2 0 255.362 -0.321 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)C1=CCC[NH2+]CC1 ZINC001343181774 889876452 /nfs/dbraw/zinc/87/64/52/889876452.db2.gz SUBQJCYJMOHKQG-GFCCVEGCSA-N 2 0 253.346 -0.257 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001343391698 889898739 /nfs/dbraw/zinc/89/87/39/889898739.db2.gz LPVMZXBHTNFKIK-MDZLAQPJSA-N 2 0 255.362 -0.443 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001343438467 889909817 /nfs/dbraw/zinc/90/98/17/889909817.db2.gz FZONOHYPXSMXNR-AWEZNQCLSA-N 2 0 287.404 -0.425 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC001343467994 889916300 /nfs/dbraw/zinc/91/63/00/889916300.db2.gz QJQIIKFKPHEABU-QNWHQSFQSA-N 2 0 266.389 -0.524 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC[C@@H]1[NH3+] ZINC001343487206 889919360 /nfs/dbraw/zinc/91/93/60/889919360.db2.gz MJEANILJEPEEET-DCQANWLSSA-N 2 0 255.362 -0.315 20 0 CBADRP C[NH2+]CCC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001343565817 889932716 /nfs/dbraw/zinc/93/27/16/889932716.db2.gz ANSCXMVECIATPO-NWDGAFQWSA-N 2 0 255.362 -0.347 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH3+])C2)CC1=O ZINC001343623430 889941235 /nfs/dbraw/zinc/94/12/35/889941235.db2.gz HRKIQHQCPQNGKW-GARJFASQSA-N 2 0 268.361 -0.998 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001444321549 912424493 /nfs/dbraw/zinc/42/44/93/912424493.db2.gz FBGYWFGXCDEJLM-NSHDSACASA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1cnnn1C ZINC001444374241 912436344 /nfs/dbraw/zinc/43/63/44/912436344.db2.gz CIYOHCXXPMKZNV-NSHDSACASA-N 2 0 282.392 -0.391 20 0 CBADRP CCN1CC[C@@H]([NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001444377653 912440700 /nfs/dbraw/zinc/44/07/00/912440700.db2.gz GYCODDGWCYJVJI-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CC(=O)N(C)C ZINC001444394458 912442480 /nfs/dbraw/zinc/44/24/80/912442480.db2.gz WLKVLNOYIQRZEE-GFCCVEGCSA-N 2 0 296.415 -0.488 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001444408162 912444399 /nfs/dbraw/zinc/44/43/99/912444399.db2.gz ONLURVHSPGGTTC-GFCCVEGCSA-N 2 0 284.404 -0.440 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001444408166 912444548 /nfs/dbraw/zinc/44/45/48/912444548.db2.gz ONLURVHSPGGTTC-LBPRGKRZSA-N 2 0 284.404 -0.440 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001343966857 889985225 /nfs/dbraw/zinc/98/52/25/889985225.db2.gz LTEBUXGIGQEKSY-CYBMUJFWSA-N 2 0 268.405 -0.227 20 0 CBADRP CC[C@@]1(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)CC[NH2+]C1 ZINC001344373745 890018470 /nfs/dbraw/zinc/01/84/70/890018470.db2.gz IVXSSNREMKVAJZ-TZMCWYRMSA-N 2 0 269.389 -0.051 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](O)C[NH2+]1 ZINC001344447306 890027211 /nfs/dbraw/zinc/02/72/11/890027211.db2.gz FJKSLOOGEFVDHW-CYRBOEJBSA-N 2 0 267.373 -0.254 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001444629369 912482191 /nfs/dbraw/zinc/48/21/91/912482191.db2.gz JAELENDJZCPOEZ-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)CC[NH2+]CC2CC2)CC1 ZINC001344707583 890055368 /nfs/dbraw/zinc/05/53/68/890055368.db2.gz FURPEOUOSXAHLO-UHFFFAOYSA-N 2 0 268.405 -0.085 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[C@@H](C)[NH2+]C ZINC001345196778 890110705 /nfs/dbraw/zinc/11/07/05/890110705.db2.gz GEGNRLVJUARGJD-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001444862391 912511880 /nfs/dbraw/zinc/51/18/80/912511880.db2.gz LSLQAEIOFFWJIH-MNOVXSKESA-N 2 0 270.377 -0.704 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001444873932 912514679 /nfs/dbraw/zinc/51/46/79/912514679.db2.gz OVLYJGZKQZKOIN-ZDUSSCGKSA-N 2 0 298.431 -0.053 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001345489646 890134644 /nfs/dbraw/zinc/13/46/44/890134644.db2.gz CTFUSNAJFXTVBW-LBPRGKRZSA-N 2 0 268.405 -0.262 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](C[NH3+])C2)C1 ZINC001345943600 890181918 /nfs/dbraw/zinc/18/19/18/890181918.db2.gz KPUJXDDDKPTJPX-OLZOCXBDSA-N 3 0 268.405 -0.146 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCCN(CC(=O)N2CC[NH2+]CC2)C1 ZINC001346018692 890197438 /nfs/dbraw/zinc/19/74/38/890197438.db2.gz ZJFWFQSKBZQMEY-VXGBXAGGSA-N 2 0 254.378 -0.523 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N3CC[NH2+]CC3)C[C@H]21 ZINC001346018228 890197562 /nfs/dbraw/zinc/19/75/62/890197562.db2.gz SRBIAISMOCNPRT-JHJVBQTASA-N 3 0 266.389 -0.523 20 0 CBADRP [NH3+]CCCC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001346208750 890237222 /nfs/dbraw/zinc/23/72/22/890237222.db2.gz BECIXIIUCXPCER-RYUDHWBXSA-N 2 0 255.362 -0.217 20 0 CBADRP [NH3+]C[C@H]1CCCC12CCN(C(=O)[C@H]([NH3+])CO)CC2 ZINC001346297163 890261251 /nfs/dbraw/zinc/26/12/51/890261251.db2.gz ZAJDKFQSTJSLCD-GHMZBOCLSA-N 2 0 255.362 -0.326 20 0 CBADRP CO[C@H](C)C[NH2+]C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001445200545 912599927 /nfs/dbraw/zinc/59/99/27/912599927.db2.gz UBPQEMCDNXFBNS-VXGBXAGGSA-N 2 0 287.404 -0.428 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NC[C@@H]1CCC[NH2+]CC1 ZINC001346429735 890286511 /nfs/dbraw/zinc/28/65/11/890286511.db2.gz CPTBELGGBCQLKK-OCCSQVGLSA-N 2 0 269.389 -0.003 20 0 CBADRP Cc1ccncc1C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001445221089 912603288 /nfs/dbraw/zinc/60/32/88/912603288.db2.gz ATJSVDLITYINLD-CQSZACIVSA-N 2 0 294.399 -0.092 20 0 CBADRP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(C)no1)[NH+](C)C ZINC001445214253 912603788 /nfs/dbraw/zinc/60/37/88/912603788.db2.gz SCDQWNZSFWCTMF-DGCLKSJQSA-N 2 0 298.387 -0.110 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1cccnc1 ZINC001445271483 912622420 /nfs/dbraw/zinc/62/24/20/912622420.db2.gz RIINZVWCCRGKDW-AWEZNQCLSA-N 2 0 294.399 -0.012 20 0 CBADRP CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)C[NH+]1CCCC1 ZINC001445324145 912635385 /nfs/dbraw/zinc/63/53/85/912635385.db2.gz BCLDSQMJVPJDRR-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP CN(CCC[NH3+])C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001347062178 890395585 /nfs/dbraw/zinc/39/55/85/890395585.db2.gz XRUSWZJGPKOOCN-UHFFFAOYSA-N 2 0 268.321 -0.869 20 0 CBADRP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)C1CC[NH+](C)CC1 ZINC001445434180 912665254 /nfs/dbraw/zinc/66/52/54/912665254.db2.gz MCJUGKNYQDTFMI-LLVKDONJSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001445432193 912665790 /nfs/dbraw/zinc/66/57/90/912665790.db2.gz AJLOLQGEWASAKS-GHMZBOCLSA-N 2 0 286.420 -0.068 20 0 CBADRP CC[C@H]([NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001445588310 912705440 /nfs/dbraw/zinc/70/54/40/912705440.db2.gz HMEKSSANCYPUPN-SRVKXCTJSA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C ZINC001445609722 912711993 /nfs/dbraw/zinc/71/19/93/912711993.db2.gz GMDNALLABFYEHK-NSHDSACASA-N 2 0 272.393 -0.443 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001445606938 912712278 /nfs/dbraw/zinc/71/22/78/912712278.db2.gz SWLBVEZOJQPDAM-QWRGUYRKSA-N 2 0 272.393 -0.491 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001445609576 912712997 /nfs/dbraw/zinc/71/29/97/912712997.db2.gz ZTGNQERHLHOSPP-MNOVXSKESA-N 2 0 270.377 -0.832 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001445648590 912722838 /nfs/dbraw/zinc/72/28/38/912722838.db2.gz NXESZENQNMCGBA-LBPRGKRZSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](C[N@H+](C)CCn1cncn1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001445869145 912776474 /nfs/dbraw/zinc/77/64/74/912776474.db2.gz MNUHWHFRNRWHMM-CHWSQXEVSA-N 2 0 294.403 -0.334 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001446076863 912811215 /nfs/dbraw/zinc/81/12/15/912811215.db2.gz RDNIKBOAEWVWTM-OLZOCXBDSA-N 2 0 299.415 -0.474 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001446153023 912825236 /nfs/dbraw/zinc/82/52/36/912825236.db2.gz DUOFKAYCZFBGOR-QWRGUYRKSA-N 2 0 282.388 -0.547 20 0 CBADRP CN1CCC[C@@H]([NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)C1=O ZINC001446225017 912840210 /nfs/dbraw/zinc/84/02/10/912840210.db2.gz CEQLXQUQCGGUFJ-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)CCc2c[nH]cn2)C1=O ZINC001128972470 884668317 /nfs/dbraw/zinc/66/83/17/884668317.db2.gz BXNYGCXDBJZTQQ-LLVKDONJSA-N 2 0 279.344 -0.721 20 0 CBADRP O=C(CCc1c[nH]cn1)NCC[NH2+]CC(=O)N1CCCC1 ZINC001128986092 884669160 /nfs/dbraw/zinc/66/91/60/884669160.db2.gz FRUADNFOKVFENT-UHFFFAOYSA-N 2 0 293.371 -0.330 20 0 CBADRP CCNC(=O)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001446264412 912852023 /nfs/dbraw/zinc/85/20/23/912852023.db2.gz FDOXYEFNGBRJTK-UHFFFAOYSA-N 2 0 294.399 -0.543 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001188145963 884720213 /nfs/dbraw/zinc/72/02/13/884720213.db2.gz TXZVFMBLBBCWRW-NEPJUHHUSA-N 2 0 282.388 -0.594 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188158684 884722213 /nfs/dbraw/zinc/72/22/13/884722213.db2.gz UKYCCNRXPLPVGZ-NWDGAFQWSA-N 2 0 284.404 -0.348 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1C ZINC001211364634 884771117 /nfs/dbraw/zinc/77/11/17/884771117.db2.gz KZCJBZTUNWFQKS-VXGBXAGGSA-N 2 0 257.378 -0.245 20 0 CBADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213399938 884778868 /nfs/dbraw/zinc/77/88/68/884778868.db2.gz RWKOXPOKYAWVEE-JHJVBQTASA-N 2 0 287.404 -0.620 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N1CCC(OCCC[NH3+])CC1 ZINC001326049670 884887849 /nfs/dbraw/zinc/88/78/49/884887849.db2.gz UBRXECAOCJCBQS-GFCCVEGCSA-N 2 0 273.377 -0.293 20 0 CBADRP C[C@H]1CN(C(=O)c2cn(CCC[NH3+])nn2)CC[NH2+]1 ZINC001326061268 884895134 /nfs/dbraw/zinc/89/51/34/884895134.db2.gz ASAVUJXNYUQKMZ-VIFPVBQESA-N 2 0 252.322 -0.939 20 0 CBADRP C[C@H]1CN(C(=O)COC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC001326074238 884896730 /nfs/dbraw/zinc/89/67/30/884896730.db2.gz KAMJLWMYYWPOQO-CMPLNLGQSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]Cc1cc(C(=O)NC[C@H]2C[NH2+]CCCO2)co1 ZINC001326127064 884914272 /nfs/dbraw/zinc/91/42/72/884914272.db2.gz LDBOYONZTRFKND-LLVKDONJSA-N 2 0 253.302 -0.153 20 0 CBADRP COCC[NH2+]CCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001326134752 884916506 /nfs/dbraw/zinc/91/65/06/884916506.db2.gz JCXFNLNAXZFRJM-UHFFFAOYSA-N 2 0 285.388 -0.861 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCCCO)CC1 ZINC001326199395 884939882 /nfs/dbraw/zinc/93/98/82/884939882.db2.gz ISSAKDCINSQHHY-CYBMUJFWSA-N 2 0 259.394 -0.653 20 0 CBADRP CC[C@@H](CCO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001326200707 884942504 /nfs/dbraw/zinc/94/25/04/884942504.db2.gz PYOJNSVEOHRFSP-STQMWFEESA-N 2 0 259.394 -0.655 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCC2CC(O)C2)CC1 ZINC001326201881 884942539 /nfs/dbraw/zinc/94/25/39/884942539.db2.gz LGPCALPPVPFCPF-JXQTWKCFSA-N 2 0 271.405 -0.655 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001326299665 884977385 /nfs/dbraw/zinc/97/73/85/884977385.db2.gz TXTGHVXYDFMMLS-DCAQKATOSA-N 2 0 269.345 -0.380 20 0 CBADRP CCOC(=O)[C@H]1CNCCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC001326310162 884981477 /nfs/dbraw/zinc/98/14/77/884981477.db2.gz WNCAGWRFNMBRJI-KXUCPTDWSA-N 2 0 255.318 -0.913 20 0 CBADRP O=C(COC1CC[NH2+]CC1)NCCC[NH+]1CCC(O)CC1 ZINC001326346893 884997081 /nfs/dbraw/zinc/99/70/81/884997081.db2.gz TUDOSPOSIITPPB-UHFFFAOYSA-N 2 0 299.415 -0.282 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC001326352730 884999926 /nfs/dbraw/zinc/99/99/26/884999926.db2.gz JSCOPFDUAVSJFC-ZJUUUORDSA-N 2 0 263.345 -0.080 20 0 CBADRP CCN1CC[NH+](CCCCNC(=O)CC[NH3+])CC1 ZINC001326372971 885006192 /nfs/dbraw/zinc/00/61/92/885006192.db2.gz UDFVEKVDPRESPR-UHFFFAOYSA-N 2 0 256.394 -0.131 20 0 CBADRP C[C@H]([NH3+])C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001326370024 885006551 /nfs/dbraw/zinc/00/65/51/885006551.db2.gz LHYQELOTGIFXAP-QWRGUYRKSA-N 2 0 254.378 -0.382 20 0 CBADRP C[C@@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC[C@@H]1[NH3+] ZINC001326370401 885007693 /nfs/dbraw/zinc/00/76/93/885007693.db2.gz VHTLMTVTTHMTBR-SCZZXKLOSA-N 2 0 263.345 -0.135 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001326375749 885011074 /nfs/dbraw/zinc/01/10/74/885011074.db2.gz PFWQUAPPGSPKHM-LLVKDONJSA-N 2 0 255.362 -0.048 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001446453733 912888313 /nfs/dbraw/zinc/88/83/13/912888313.db2.gz SNJJKGVJNIKQDN-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001446455677 912888899 /nfs/dbraw/zinc/88/88/99/912888899.db2.gz MMKBOWOFMIGPPW-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC[C@H]1[NH3+] ZINC001326501401 885048904 /nfs/dbraw/zinc/04/89/04/885048904.db2.gz DYNOBXYBQZMPKM-JHJVBQTASA-N 3 0 268.405 -0.147 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC([NH3+])CC1 ZINC001326567145 885066753 /nfs/dbraw/zinc/06/67/53/885066753.db2.gz QJQALZYVWJEHOX-NSHDSACASA-N 2 0 256.350 -0.964 20 0 CBADRP [NH3+]CCCOC1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC001326567690 885068162 /nfs/dbraw/zinc/06/81/62/885068162.db2.gz SJBNGKVJLGOPCW-LBPRGKRZSA-N 2 0 271.361 -0.669 20 0 CBADRP C[C@H](C[NH2+]C1CCN(C=O)CC1)N1CC[NH+](C)CC1 ZINC001326563888 885068819 /nfs/dbraw/zinc/06/88/19/885068819.db2.gz ZIIRPKPWONWRKB-CYBMUJFWSA-N 2 0 268.405 -0.167 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC001326606681 885085715 /nfs/dbraw/zinc/08/57/15/885085715.db2.gz NPBNREDBLFMFIW-VXGBXAGGSA-N 2 0 256.394 -0.086 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[NH2+]3)C[C@H]2[NH3+])cn1 ZINC001326625588 885094358 /nfs/dbraw/zinc/09/43/58/885094358.db2.gz BVIBUUWMVXUFHI-QJPTWQEYSA-N 2 0 263.345 -0.575 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NCC1(C)CC[NH2+]CC1 ZINC001326625778 885094730 /nfs/dbraw/zinc/09/47/30/885094730.db2.gz FOZYZVBANJHWSQ-NSHDSACASA-N 2 0 256.394 -0.229 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001326655417 885103263 /nfs/dbraw/zinc/10/32/63/885103263.db2.gz RFBCNZPGYLILEB-RYUDHWBXSA-N 2 0 256.394 -0.325 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001326655416 885103348 /nfs/dbraw/zinc/10/33/48/885103348.db2.gz RFBCNZPGYLILEB-NWDGAFQWSA-N 2 0 256.394 -0.325 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC001326664658 885107102 /nfs/dbraw/zinc/10/71/02/885107102.db2.gz TVMQLYNMIVEFMS-ZDUSSCGKSA-N 2 0 284.404 -0.881 20 0 CBADRP [NH3+]C1(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC001326687176 885112964 /nfs/dbraw/zinc/11/29/64/885112964.db2.gz BSLIFXVZNRYGEF-LLVKDONJSA-N 2 0 253.346 -0.342 20 0 CBADRP [NH3+]CCOCCN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001326693760 885113193 /nfs/dbraw/zinc/11/31/93/885113193.db2.gz RGYWGANLFSOLBX-ZDUSSCGKSA-N 2 0 257.378 -0.384 20 0 CBADRP C[NH+]1CCC(NC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC001326732091 885124345 /nfs/dbraw/zinc/12/43/45/885124345.db2.gz FFEAQUKALQYKJU-UHFFFAOYSA-N 2 0 266.349 -0.549 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001326744666 885126727 /nfs/dbraw/zinc/12/67/27/885126727.db2.gz AMTFDTSMMVHLGQ-MXWKQRLJSA-N 2 0 268.361 -0.807 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[C@H]1[NH3+] ZINC001326808110 885158305 /nfs/dbraw/zinc/15/83/05/885158305.db2.gz YGXNMODRLLGNOQ-WUHRBBMRSA-N 2 0 296.415 -0.362 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(C[NH3+])o2)CCO1 ZINC001326833839 885168115 /nfs/dbraw/zinc/16/81/15/885168115.db2.gz JDIQLDWUTZOXFB-KWQFWETISA-N 2 0 253.302 -0.074 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001326833776 885168151 /nfs/dbraw/zinc/16/81/51/885168151.db2.gz IEZFDGOMWUHBLD-HBNTYKKESA-N 2 0 268.361 -0.950 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]CCO)CCC1 ZINC001326913523 885191064 /nfs/dbraw/zinc/19/10/64/885191064.db2.gz OZUCPIMFPYHWIL-UHFFFAOYSA-N 2 0 257.378 -0.051 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001326937825 885197350 /nfs/dbraw/zinc/19/73/50/885197350.db2.gz MVEUDJQLTHZGAW-LBPRGKRZSA-N 2 0 280.376 -0.100 20 0 CBADRP CN(C1CC[NH+](CCOCC[NH3+])CC1)S(C)(=O)=O ZINC001327087695 885254198 /nfs/dbraw/zinc/25/41/98/885254198.db2.gz RRXCQONLYIIYFJ-UHFFFAOYSA-N 2 0 279.406 -0.683 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC001327159196 885271014 /nfs/dbraw/zinc/27/10/14/885271014.db2.gz HCQADGOTTFUWEO-NDBYEHHHSA-N 2 0 296.415 -0.314 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)C1 ZINC001327159205 885272842 /nfs/dbraw/zinc/27/28/42/885272842.db2.gz HCQADGOTTFUWEO-ZDEQEGDKSA-N 2 0 296.415 -0.314 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001446713924 912922281 /nfs/dbraw/zinc/92/22/81/912922281.db2.gz MFZBDNXGNNIWCZ-UHFFFAOYSA-N 2 0 287.404 -0.425 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)NCCC2(C[NH3+])CC2)nn1 ZINC001327450564 885358088 /nfs/dbraw/zinc/35/80/88/885358088.db2.gz VSJHCDWIKYUGDB-UHFFFAOYSA-N 2 0 280.376 -0.124 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001327501401 885379660 /nfs/dbraw/zinc/37/96/60/885379660.db2.gz XKKJBAJSINLAOG-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCC[C@H](C)[NH2+]C)C(C)C ZINC001327549691 885402353 /nfs/dbraw/zinc/40/23/53/885402353.db2.gz BUXSWHFKASKVQP-LBPRGKRZSA-N 2 0 286.420 -0.053 20 0 CBADRP O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCC[NH2+]CC1 ZINC001327562040 885407009 /nfs/dbraw/zinc/40/70/09/885407009.db2.gz IESHZWDRWQKNCN-JTQLQIEISA-N 2 0 263.345 -0.078 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001327570091 885408308 /nfs/dbraw/zinc/40/83/08/885408308.db2.gz ODPPEZMFYRATAM-SECBINFHSA-N 2 0 266.349 -0.330 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(C[C@@H]3C[NH2+]CCO3)CC2)C1 ZINC001327562198 885408316 /nfs/dbraw/zinc/40/83/16/885408316.db2.gz JXFBYLVKPPUMJK-GJZGRUSLSA-N 2 0 282.432 -0.313 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC001327596617 885423827 /nfs/dbraw/zinc/42/38/27/885423827.db2.gz JRHTUSNHGYCWGP-CYBMUJFWSA-N 2 0 268.405 -0.260 20 0 CBADRP C[C@H]1C[C@H](NC(=O)c2cn(CC[NH3+])nn2)CC[NH2+]1 ZINC001327598062 885423853 /nfs/dbraw/zinc/42/38/53/885423853.db2.gz YKYJEGXPGLCQLB-DTWKUNHWSA-N 2 0 252.322 -0.893 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001327613627 885429301 /nfs/dbraw/zinc/42/93/01/885429301.db2.gz JCXQCLKDAJHOAA-LLVKDONJSA-N 2 0 270.377 -0.796 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001327612275 885429844 /nfs/dbraw/zinc/42/98/44/885429844.db2.gz BAIFJFNHGYCFIP-NEPJUHHUSA-N 2 0 267.373 -0.048 20 0 CBADRP CSCC[C@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001327617546 885432722 /nfs/dbraw/zinc/43/27/22/885432722.db2.gz TWRHXTGFEBVCNO-VIFPVBQESA-N 2 0 259.375 -0.732 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC001327660149 885444874 /nfs/dbraw/zinc/44/48/74/885444874.db2.gz XPGNJRZHPKGKNW-DCBWTQNWSA-N 3 0 266.389 -0.475 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC001327829916 885490182 /nfs/dbraw/zinc/49/01/82/885490182.db2.gz OUUVQCNOHDALLQ-MXWKQRLJSA-N 2 0 268.361 -0.937 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC001327918295 885527263 /nfs/dbraw/zinc/52/72/63/885527263.db2.gz OKNIQYFEZKVJOH-NXEZZACHSA-N 2 0 263.345 -0.080 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001327929831 885530805 /nfs/dbraw/zinc/53/08/05/885530805.db2.gz VSKKDTFBYPDVNE-KXNHARMFSA-N 2 0 253.346 -0.439 20 0 CBADRP COCCOC[C@@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001327978728 885546532 /nfs/dbraw/zinc/54/65/32/885546532.db2.gz RIIUFWYTQBTVSW-KGLIPLIRSA-N 2 0 289.420 -0.764 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC001328133304 885578809 /nfs/dbraw/zinc/57/88/09/885578809.db2.gz NUXKJEUERDDVNT-UHFFFAOYSA-N 2 0 270.377 -0.974 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001328340401 885642425 /nfs/dbraw/zinc/64/24/25/885642425.db2.gz ULWRPSPFJGLXIX-VHSXEESVSA-N 2 0 264.333 -0.706 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)c1cnnn1C1CC[NH2+]CC1 ZINC001328441935 885688284 /nfs/dbraw/zinc/68/82/84/885688284.db2.gz APZXIHNWLOYJEM-VIFPVBQESA-N 2 0 264.333 -0.706 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC001328455022 885693667 /nfs/dbraw/zinc/69/36/67/885693667.db2.gz MVRAKQNSECWDJR-KGLIPLIRSA-N 2 0 298.431 -0.506 20 0 CBADRP COC1(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC[NH2+]CC1 ZINC001328524893 885716121 /nfs/dbraw/zinc/71/61/21/885716121.db2.gz MRWBTGGZAWRORE-MNOVXSKESA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC001328526258 885719801 /nfs/dbraw/zinc/71/98/01/885719801.db2.gz ZBRASKPLWUDVMK-UHFFFAOYSA-N 2 0 291.417 -0.779 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001446938671 912982362 /nfs/dbraw/zinc/98/23/62/912982362.db2.gz NKTSDICERDCAIY-YPMHNXCESA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC001329223826 885970600 /nfs/dbraw/zinc/97/06/00/885970600.db2.gz WGJVNBXEKAXKCC-RVMXOQNASA-N 2 0 257.378 -0.605 20 0 CBADRP [NH3+]CCSCc1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC001329314952 886010178 /nfs/dbraw/zinc/01/01/78/886010178.db2.gz AYJUBEZWCAEJMN-JTQLQIEISA-N 2 0 257.363 -0.542 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001447023305 913002011 /nfs/dbraw/zinc/00/20/11/913002011.db2.gz WNZSHZJCXBGQLL-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001329412585 886056752 /nfs/dbraw/zinc/05/67/52/886056752.db2.gz WIOXYAXFPIXWMO-PHIMTYICSA-N 2 0 253.346 -0.567 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@]2(CO)CCC[NH+](CCCO)C2)C1 ZINC001447039204 913007520 /nfs/dbraw/zinc/00/75/20/913007520.db2.gz KFBIHJMAIIVDQI-DZGCQCFKSA-N 2 0 299.415 -0.736 20 0 CBADRP COC1(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC[NH2+]CC1 ZINC001329522170 886106691 /nfs/dbraw/zinc/10/66/91/886106691.db2.gz RQEGJMSXAAQZCG-RYUDHWBXSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)CCO ZINC001329533840 886113162 /nfs/dbraw/zinc/11/31/62/886113162.db2.gz ZMGYLQWRHCCVJA-LLVKDONJSA-N 2 0 257.378 -0.243 20 0 CBADRP COC1(C(=O)N[C@H](CC[NH3+])C(F)F)CC[NH2+]CC1 ZINC001329544800 886115850 /nfs/dbraw/zinc/11/58/50/886115850.db2.gz HCJCXVFGHXJCNS-MRVPVSSYSA-N 2 0 265.304 -0.146 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CCCO ZINC001329613568 886142922 /nfs/dbraw/zinc/14/29/22/886142922.db2.gz PCDDNHKDGSWCMB-RYUDHWBXSA-N 2 0 257.378 -0.243 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001329611555 886143785 /nfs/dbraw/zinc/14/37/85/886143785.db2.gz CUOSWDGZBXDLTH-LLVKDONJSA-N 2 0 270.377 -0.796 20 0 CBADRP COCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001447049802 913012982 /nfs/dbraw/zinc/01/29/82/913012982.db2.gz YQQUNZUICYZRQS-DZGCQCFKSA-N 2 0 299.415 -0.472 20 0 CBADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(C(=O)NOC)CC1 ZINC001329643926 886156782 /nfs/dbraw/zinc/15/67/82/886156782.db2.gz RJJQKGBVVFESKK-LBPRGKRZSA-N 2 0 259.350 -0.654 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001329651272 886161234 /nfs/dbraw/zinc/16/12/34/886161234.db2.gz IEZNFAYLSPDJAF-GFCCVEGCSA-N 2 0 268.405 -0.180 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCCN2CC[NH+](C)CC2)C1 ZINC001329757635 886198884 /nfs/dbraw/zinc/19/88/84/886198884.db2.gz GFTKFAZXTDVOQQ-CYBMUJFWSA-N 2 0 268.405 -0.308 20 0 CBADRP C[C@H](NC(=O)[C@@H](N)CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001329757842 886199379 /nfs/dbraw/zinc/19/93/79/886199379.db2.gz CMLSGWFCEODZCG-TUAOUCFPSA-N 2 0 256.394 -0.230 20 0 CBADRP C[NH+](C/C=C/C[N@@H+](C)[C@@H]1CCNC1=O)[C@H]1CCNC1=O ZINC001329862247 886243129 /nfs/dbraw/zinc/24/31/29/886243129.db2.gz HUQGDDLZKDEXNE-ROUHBEFFSA-N 2 0 280.372 -0.817 20 0 CBADRP Cn1cc([C@@H]2CN(C[C@@H]3C[NH2+]CCO3)C[C@H]2[NH3+])cn1 ZINC001329924688 886278927 /nfs/dbraw/zinc/27/89/27/886278927.db2.gz AUVKDMCSBVELDN-RWMBFGLXSA-N 2 0 265.361 -0.865 20 0 CBADRP CC[NH+](CC)C1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC001329938417 886289615 /nfs/dbraw/zinc/28/96/15/886289615.db2.gz USOOFUWMFUBRCZ-UHFFFAOYSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001330018482 886327055 /nfs/dbraw/zinc/32/70/55/886327055.db2.gz CNHBMSVXRARIKN-AXFHLTTASA-N 2 0 270.377 -0.609 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001330018485 886327429 /nfs/dbraw/zinc/32/74/29/886327429.db2.gz CNHBMSVXRARIKN-HBNTYKKESA-N 2 0 270.377 -0.609 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001330018483 886328733 /nfs/dbraw/zinc/32/87/33/886328733.db2.gz CNHBMSVXRARIKN-DCAQKATOSA-N 2 0 270.377 -0.609 20 0 CBADRP CC1(C)CC[NH2+]CCN1C(=O)c1cn(CC[NH3+])nn1 ZINC001330086550 886352922 /nfs/dbraw/zinc/35/29/22/886352922.db2.gz XAABJSHIKKZAPD-UHFFFAOYSA-N 2 0 266.349 -0.549 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC001330595662 886493698 /nfs/dbraw/zinc/49/36/98/886493698.db2.gz CKKGORBAZJDZPC-DGCLKSJQSA-N 2 0 255.362 -0.036 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001330603755 886499703 /nfs/dbraw/zinc/49/97/03/886499703.db2.gz VRWJEEZSLNUHQK-HUTHGQBESA-N 2 0 261.391 -0.659 20 0 CBADRP CN(CCOCC[NH3+])C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC001330608656 886501746 /nfs/dbraw/zinc/50/17/46/886501746.db2.gz TVUTZOFGEDSQQR-CYBMUJFWSA-N 2 0 295.387 -0.145 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001330615353 886505190 /nfs/dbraw/zinc/50/51/90/886505190.db2.gz OHNYCLBWHJKQGL-GSRNSYJJSA-N 2 0 261.391 -0.661 20 0 CBADRP C[NH2+]CCN(C)C(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001330616479 886505943 /nfs/dbraw/zinc/50/59/43/886505943.db2.gz VLMUQKLSLVUQJN-KRWDZBQOSA-N 2 0 261.391 -0.835 20 0 CBADRP CC[NH2+]CC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001330641664 886514785 /nfs/dbraw/zinc/51/47/85/886514785.db2.gz YALCFAXUWRWJAI-UHFFFAOYSA-N 2 0 268.405 -0.166 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC001330871309 886608032 /nfs/dbraw/zinc/60/80/32/886608032.db2.gz SBTNTBVVZUFGOX-NSHDSACASA-N 2 0 284.404 -0.312 20 0 CBADRP CNC(=O)C[N@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001447358092 913062687 /nfs/dbraw/zinc/06/26/87/913062687.db2.gz YLSHMLOTZUDGRQ-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC001331041066 886653361 /nfs/dbraw/zinc/65/33/61/886653361.db2.gz PMJLIBLDWHOATQ-STQMWFEESA-N 2 0 296.415 -0.168 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331100384 886673042 /nfs/dbraw/zinc/67/30/42/886673042.db2.gz ZMNLMJJMMLVYKP-UTUOFQBUSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCCC1 ZINC001331114718 886679305 /nfs/dbraw/zinc/67/93/05/886679305.db2.gz RJWZHSZVKHBOBR-HAQNSBGRSA-N 2 0 296.415 -0.170 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001331135088 886689737 /nfs/dbraw/zinc/68/97/37/886689737.db2.gz PBBKLMLWLQUUDB-TXEJJXNPSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[N@H+](C)C[C@@H](O)Cn1cc(COCC[NH3+])nn1 ZINC001331244703 886748611 /nfs/dbraw/zinc/74/86/11/886748611.db2.gz UYSZQRONWSDKAV-LLVKDONJSA-N 2 0 257.338 -0.934 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001331320873 886777072 /nfs/dbraw/zinc/77/70/72/886777072.db2.gz ZEBMUMXBJNSDGO-STQMWFEESA-N 2 0 298.431 -0.066 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001331476086 886818659 /nfs/dbraw/zinc/81/86/59/886818659.db2.gz OJTAHLQZNQVYDM-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCCC1 ZINC001331551292 886839263 /nfs/dbraw/zinc/83/92/63/886839263.db2.gz PHSFVXRCPJHOQX-RYUDHWBXSA-N 2 0 294.399 -0.450 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCCF ZINC001331683872 886906164 /nfs/dbraw/zinc/90/61/64/886906164.db2.gz MEMXTFWEKDYDPU-WDEREUQCSA-N 2 0 261.341 -0.493 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC1CCC1 ZINC001331687038 886908063 /nfs/dbraw/zinc/90/80/63/886908063.db2.gz YLCVLFIYOHCPRE-STQMWFEESA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CCO1 ZINC001331690840 886910701 /nfs/dbraw/zinc/91/07/01/886910701.db2.gz WUSRLMUFAYESNL-XWLWVQCSSA-N 2 0 259.325 -0.491 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001331708673 886923559 /nfs/dbraw/zinc/92/35/59/886923559.db2.gz WLHHIFYNNIXHPW-VVVCHXIZSA-N 2 0 261.391 -0.802 20 0 CBADRP O=C([C@@H](F)[C@H]1CC[NH2+]C1)N1CCOC2(C[NH2+]C2)C1 ZINC001331713150 886929912 /nfs/dbraw/zinc/92/99/12/886929912.db2.gz VCMRYYZRINQPFL-UWVGGRQHSA-N 2 0 257.309 -0.865 20 0 CBADRP C[C@@H](NC(=O)c1c(C[NH3+])cnn1C)C1CC[NH2+]CC1 ZINC001331727479 886939051 /nfs/dbraw/zinc/93/90/51/886939051.db2.gz HCOPOGPEHFARMD-SECBINFHSA-N 2 0 265.361 -0.003 20 0 CBADRP CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001331741221 886950725 /nfs/dbraw/zinc/95/07/25/886950725.db2.gz UEOPAYIRNDQOCE-NEPJUHHUSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@@H](O)[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC001331771620 886966773 /nfs/dbraw/zinc/96/67/73/886966773.db2.gz SECQRTKXJJEQGX-VXGBXAGGSA-N 2 0 269.389 -0.101 20 0 CBADRP [NH3+]CCCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001331880022 887024573 /nfs/dbraw/zinc/02/45/73/887024573.db2.gz XXEKYNKIQNAZCI-QMMMGPOBSA-N 2 0 250.293 -0.121 20 0 CBADRP [NH3+]CCCNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001331880020 887025931 /nfs/dbraw/zinc/02/59/31/887025931.db2.gz XXEKYNKIQNAZCI-MRVPVSSYSA-N 2 0 250.293 -0.121 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001331957585 887060359 /nfs/dbraw/zinc/06/03/59/887060359.db2.gz LXTUIEHKBRAHNE-YNEHKIRRSA-N 2 0 296.415 -0.217 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC001331966159 887069769 /nfs/dbraw/zinc/06/97/69/887069769.db2.gz QRWBSGLGKJTMFK-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]C[C@@H]1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC001331980656 887073970 /nfs/dbraw/zinc/07/39/70/887073970.db2.gz JJROUUSZUSRVHW-RYUDHWBXSA-N 2 0 264.377 -0.017 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC001332175240 887143237 /nfs/dbraw/zinc/14/32/37/887143237.db2.gz ZJMRUMBAQWPUCQ-RYUDHWBXSA-N 2 0 263.345 -0.019 20 0 CBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCC2C[NH2+]C2)C1(C)C ZINC001332178629 887143494 /nfs/dbraw/zinc/14/34/94/887143494.db2.gz FIXPOKPDVDNOOD-MFKMUULPSA-N 2 0 255.362 -0.146 20 0 CBADRP CC[C@H]1COCCN1CCNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001332239646 887168270 /nfs/dbraw/zinc/16/82/70/887168270.db2.gz VVWGHVUBBHOXGK-ZDEQEGDKSA-N 2 0 267.373 -0.179 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)C1CC1 ZINC001332267647 887178473 /nfs/dbraw/zinc/17/84/73/887178473.db2.gz PVKNKAZWTBAIRD-OLZOCXBDSA-N 2 0 294.399 -0.450 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001332291827 887186294 /nfs/dbraw/zinc/18/62/94/887186294.db2.gz JVDDVZPCFASNDF-RWMBFGLXSA-N 2 0 267.373 -0.225 20 0 CBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001332332970 887208559 /nfs/dbraw/zinc/20/85/59/887208559.db2.gz WAKWENBUUBSFBB-BETUJISGSA-N 2 0 296.415 -0.216 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCC([NH3+])CC2)C1 ZINC001332339105 887212788 /nfs/dbraw/zinc/21/27/88/887212788.db2.gz KFULJFWGFSWVNY-NSHDSACASA-N 3 0 254.378 -0.393 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)c1cnn(C)c1 ZINC001332399221 887261084 /nfs/dbraw/zinc/26/10/84/887261084.db2.gz DUQIDBRSPLXTDF-DLOVCJGASA-N 2 0 265.361 -0.124 20 0 CBADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1 ZINC001332414667 887266079 /nfs/dbraw/zinc/26/60/79/887266079.db2.gz AUFRULDNHWTOEU-LLVKDONJSA-N 3 0 254.378 -0.523 20 0 CBADRP [NH3+]C1CCN(Cc2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC001332508351 887330388 /nfs/dbraw/zinc/33/03/88/887330388.db2.gz XCMOGERBOZOFCC-GFCCVEGCSA-N 2 0 264.377 -0.047 20 0 CBADRP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001332605750 887370430 /nfs/dbraw/zinc/37/04/30/887370430.db2.gz LGXAYFUKJXVDLD-GFCCVEGCSA-N 2 0 257.378 -0.101 20 0 CBADRP Cn1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1=O ZINC001332816547 887436987 /nfs/dbraw/zinc/43/69/87/887436987.db2.gz VCMRRHIUSJDALD-UHFFFAOYSA-N 2 0 250.346 -0.620 20 0 CBADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCN1C(=O)CNC1=O)CC2 ZINC001332815921 887438434 /nfs/dbraw/zinc/43/84/34/887438434.db2.gz NOKWZEIMONPKGU-NSHDSACASA-N 2 0 296.371 -0.632 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC001332944134 887483353 /nfs/dbraw/zinc/48/33/53/887483353.db2.gz CVHRBVRXJZAABR-LPWJVIDDSA-N 2 0 296.415 -0.362 20 0 CBADRP C[NH+]1CCC(NC(=O)Cn2cc(CCCC[NH3+])nn2)CC1 ZINC001333120695 887534265 /nfs/dbraw/zinc/53/42/65/887534265.db2.gz HFSJJXNIXZXRBP-UHFFFAOYSA-N 2 0 294.403 -0.230 20 0 CBADRP [NH3+]CCN(CC(=O)N1CC[NH2+]CC1)CC(F)(F)F ZINC001333161179 887547530 /nfs/dbraw/zinc/54/75/30/887547530.db2.gz JJHTWCZZKNPGHW-UHFFFAOYSA-N 2 0 268.283 -0.759 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001333178809 887554777 /nfs/dbraw/zinc/55/47/77/887554777.db2.gz OXKYMHRTIVBQBH-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC001333179530 887555988 /nfs/dbraw/zinc/55/59/88/887555988.db2.gz UGDNCIDVUZGNET-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001333290793 887585863 /nfs/dbraw/zinc/58/58/63/887585863.db2.gz GLYCKNWYXOASHI-AAEUAGOBSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001447908199 913164094 /nfs/dbraw/zinc/16/40/94/913164094.db2.gz SRRWIHBQYWZCNK-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333447943 887642258 /nfs/dbraw/zinc/64/22/58/887642258.db2.gz IYQUYTLZOFZDGD-UPJWGTAASA-N 2 0 296.415 -0.360 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001333531583 887677208 /nfs/dbraw/zinc/67/72/08/887677208.db2.gz BPWTXGIEGIYWAJ-SSDOTTSWSA-N 2 0 268.321 -0.952 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH2+]C)CC2)C1 ZINC001333564984 887695531 /nfs/dbraw/zinc/69/55/31/887695531.db2.gz CYUOIEDBPCHNDR-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP F[C@@H]1C[NH2+][C@H](CN2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC001333595941 887707788 /nfs/dbraw/zinc/70/77/88/887707788.db2.gz NRJUZHNXNOJZEV-RWMBFGLXSA-N 2 0 256.369 -0.334 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001333636419 887730168 /nfs/dbraw/zinc/73/01/68/887730168.db2.gz RLSXUGRLKDSLDL-UONOGXRCSA-N 2 0 299.415 -0.033 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001333940837 887815682 /nfs/dbraw/zinc/81/56/82/887815682.db2.gz PKHAUYAVWZGSOJ-MNOVXSKESA-N 2 0 294.399 -0.323 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001333940835 887816197 /nfs/dbraw/zinc/81/61/97/887816197.db2.gz PKHAUYAVWZGSOJ-GHMZBOCLSA-N 2 0 294.399 -0.323 20 0 CBADRP CC(C)(C)OC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC001334100663 887865513 /nfs/dbraw/zinc/86/55/13/887865513.db2.gz MLLWTXRTPNKQIG-UHFFFAOYSA-N 2 0 271.361 -0.133 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001334227932 887894952 /nfs/dbraw/zinc/89/49/52/887894952.db2.gz BDWVNGSBCJDRGR-XYPYZODXSA-N 2 0 258.366 -0.399 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001334231005 887898023 /nfs/dbraw/zinc/89/80/23/887898023.db2.gz POCMEGZNWZNXIM-JFGNBEQYSA-N 2 0 256.350 -0.911 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)C1 ZINC001334338664 887925387 /nfs/dbraw/zinc/92/53/87/887925387.db2.gz QEVFEMDKDLWSCZ-AJNGGQMLSA-N 2 0 282.432 -0.451 20 0 CBADRP CS(=O)(=O)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC001334391412 887949644 /nfs/dbraw/zinc/94/96/44/887949644.db2.gz UGEUJQYHTJQMQV-OPRDCNLKSA-N 2 0 250.364 -0.891 20 0 CBADRP OCCN1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC001334762101 888313330 /nfs/dbraw/zinc/31/33/30/888313330.db2.gz FDZKRAUBHIQCLC-KBPBESRZSA-N 2 0 269.389 -0.635 20 0 CBADRP CN1CCN(C(=O)NCC[NH+](C)C2CC2)CC[N@H+](C)CC1 ZINC001334957275 888370154 /nfs/dbraw/zinc/37/01/54/888370154.db2.gz UMRMFXKGMZVSQU-UHFFFAOYSA-N 2 0 297.447 -0.031 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC001335167656 888429761 /nfs/dbraw/zinc/42/97/61/888429761.db2.gz DVLDFZPZSDGPNP-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP COc1ccc([C@H](C[NH3+])CNC(C[NH3+])C[NH3+])cc1 ZINC001335191033 888440852 /nfs/dbraw/zinc/44/08/52/888440852.db2.gz XKKHKWHDHQJZLT-LLVKDONJSA-N 3 0 252.362 -0.387 20 0 CBADRP CN(C(=O)NC[C@H]1COCC[NH2+]1)C1CC[NH2+]CC1 ZINC001335215916 888451360 /nfs/dbraw/zinc/45/13/60/888451360.db2.gz HJFJYNOCITZZLA-JTQLQIEISA-N 2 0 256.350 -0.632 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC001335266225 888476769 /nfs/dbraw/zinc/47/67/69/888476769.db2.gz VMOLJSBRQJESEK-QWRGUYRKSA-N 2 0 253.346 -0.425 20 0 CBADRP C[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC001335264213 888476427 /nfs/dbraw/zinc/47/64/27/888476427.db2.gz KGKOHEODVUTLPH-IJLUTSLNSA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)[C@H]2[NH2+]CC23CCOCC3)C1 ZINC001335266226 888477102 /nfs/dbraw/zinc/47/71/02/888477102.db2.gz VMOLJSBRQJESEK-WDEREUQCSA-N 2 0 253.346 -0.425 20 0 CBADRP C[NH2+]CCNC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001335336298 888506261 /nfs/dbraw/zinc/50/62/61/888506261.db2.gz JVOZFNKIRRRFHO-UHFFFAOYSA-N 2 0 270.377 -0.240 20 0 CBADRP C[N@H+](C[C@@H](O)CN[C@H]1CCCCNC1=O)C1CC1 ZINC001335350388 888511019 /nfs/dbraw/zinc/51/10/19/888511019.db2.gz DVOBEXWDUQDJLN-RYUDHWBXSA-N 2 0 255.362 -0.300 20 0 CBADRP CC[NH+]1CCN(CCNC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC001335384901 888519116 /nfs/dbraw/zinc/51/91/16/888519116.db2.gz RZRIXXIIRJBVPO-OAHLLOKOSA-N 2 0 284.448 -0.330 20 0 CBADRP COCCN1CC(CCO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001448200106 913252473 /nfs/dbraw/zinc/25/24/73/913252473.db2.gz FRKMZNZNZRSJAT-GFCCVEGCSA-N 2 0 285.388 -0.863 20 0 CBADRP CN1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1=O ZINC001335449219 888535323 /nfs/dbraw/zinc/53/53/23/888535323.db2.gz SEYLQSCZRRIRCZ-VXGBXAGGSA-N 2 0 255.362 -0.347 20 0 CBADRP CC[N@H+](CCNC(=O)N1CCNCC[NH2+]CC1)C1CC1 ZINC001335444321 888535376 /nfs/dbraw/zinc/53/53/76/888535376.db2.gz LVCPVKWXEVNMDH-UHFFFAOYSA-N 2 0 283.420 -0.325 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC[C@@H](O)C1(O)CCCC1 ZINC001335461257 888538361 /nfs/dbraw/zinc/53/83/61/888538361.db2.gz VEHKETAOFRCAAI-VXGBXAGGSA-N 2 0 260.378 -0.445 20 0 CBADRP CC(C)OCC[C@@H](O)C[NH2+]C[C@]1(O)CCN(C)C1 ZINC001335458562 888539073 /nfs/dbraw/zinc/53/90/73/888539073.db2.gz RHJGKLNKMBINFX-CHWSQXEVSA-N 2 0 260.378 -0.181 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)N[C@H]3CC[NH2+]C3)C[C@]2(C)C1 ZINC001335574964 888570792 /nfs/dbraw/zinc/57/07/92/888570792.db2.gz CVCHCPPIDWDNFO-MDZLAQPJSA-N 2 0 252.362 -0.059 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC001335586788 888574251 /nfs/dbraw/zinc/57/42/51/888574251.db2.gz CWRAJUMMLYZJBW-MNOVXSKESA-N 2 0 256.350 -0.632 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001335591707 888577306 /nfs/dbraw/zinc/57/73/06/888577306.db2.gz PJZVQTCYYOFXKH-WRWGMCAJSA-N 2 0 252.362 -0.155 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC001335604713 888580068 /nfs/dbraw/zinc/58/00/68/888580068.db2.gz UMXCERPTOIFPNA-OUAUKWLOSA-N 2 0 256.350 -0.871 20 0 CBADRP C[C@@H]1CN(C(=O)NCCOCCC[NH3+])C[C@H]1CC[NH3+] ZINC001335616617 888583132 /nfs/dbraw/zinc/58/31/32/888583132.db2.gz BTFJTABXHFVBFY-VXGBXAGGSA-N 2 0 272.393 -0.022 20 0 CBADRP C[NH+]1CCC(NCc2cn(CC3C[NH2+]C3)nn2)CC1 ZINC001335618370 888583809 /nfs/dbraw/zinc/58/38/09/888583809.db2.gz SPVBZLGOHPBFSP-UHFFFAOYSA-N 2 0 264.377 -0.319 20 0 CBADRP [NH3+]C1(CNC(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC001335667007 888597322 /nfs/dbraw/zinc/59/73/22/888597322.db2.gz VQJDOEFNUXRUKJ-UHFFFAOYSA-N 2 0 255.366 -0.928 20 0 CBADRP C[NH+]1CCC(O)(CNC(=O)NCC2([NH3+])CC2)CC1 ZINC001335691393 888606108 /nfs/dbraw/zinc/60/61/08/888606108.db2.gz WTJHHFSJWKJTFX-UHFFFAOYSA-N 2 0 256.350 -0.766 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C[NH+](C)C ZINC001335740543 888617934 /nfs/dbraw/zinc/61/79/34/888617934.db2.gz GRIIQXPGGHVCGG-VXGBXAGGSA-N 2 0 296.415 -0.550 20 0 CBADRP C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)C1 ZINC001335933783 888655107 /nfs/dbraw/zinc/65/51/07/888655107.db2.gz MALNVDJUIOAYDE-FRRDWIJNSA-N 2 0 258.362 -0.570 20 0 CBADRP CC[C@](C)(O)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001335949726 888661098 /nfs/dbraw/zinc/66/10/98/888661098.db2.gz FLRWJPBMMAUCME-OLZOCXBDSA-N 2 0 259.394 -0.655 20 0 CBADRP C[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)[C@H]1C[NH+](C)CCN1C ZINC001335987611 888666116 /nfs/dbraw/zinc/66/61/16/888666116.db2.gz SMRHBRYMGKEFGL-NWANDNLSSA-N 2 0 284.448 -0.335 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC001336117618 888698041 /nfs/dbraw/zinc/69/80/41/888698041.db2.gz SFSXPPQZAIJQET-GFCCVEGCSA-N 2 0 269.393 -0.539 20 0 CBADRP COCC[NH2+]CCNC(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001336124379 888700077 /nfs/dbraw/zinc/70/00/77/888700077.db2.gz LJRIMGDQONXAIT-UHFFFAOYSA-N 2 0 270.377 -0.209 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC001336133946 888701840 /nfs/dbraw/zinc/70/18/40/888701840.db2.gz PUYJVIVZOBBTJG-WDEREUQCSA-N 2 0 256.350 -0.502 20 0 CBADRP CN1CCO[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2C)C1 ZINC001336224431 888721996 /nfs/dbraw/zinc/72/19/96/888721996.db2.gz PFIXNYRTZHCPKT-NEPJUHHUSA-N 2 0 255.362 -0.083 20 0 CBADRP c1cc(N2CC[NH2+]CC2)oc1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001336287248 888735234 /nfs/dbraw/zinc/73/52/34/888735234.db2.gz ZGKOPHQYDYPLHB-IMRBUKKESA-N 2 0 262.357 -0.003 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC001336558535 888795180 /nfs/dbraw/zinc/79/51/80/888795180.db2.gz XOZYZAJELLCYAS-YNEHKIRRSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+](C)CCCC[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC001336763221 888871053 /nfs/dbraw/zinc/87/10/53/888871053.db2.gz MFOZAMOMIYFQPD-STQMWFEESA-N 2 0 260.378 -0.180 20 0 CBADRP C[NH2+]C1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001336661434 888837023 /nfs/dbraw/zinc/83/70/23/888837023.db2.gz UVIPPGRMMBBQCU-CYBMUJFWSA-N 2 0 255.362 -0.299 20 0 CBADRP CN(C(=O)c1ccn(CCC[NH3+])n1)[C@@H]1CC[NH2+]C1 ZINC001336687643 888847283 /nfs/dbraw/zinc/84/72/83/888847283.db2.gz PKTDFDOIDYAKIG-SNVBAGLBSA-N 2 0 251.334 -0.334 20 0 CBADRP CC[NH+](CC)CCCNC(=O)N1CCNCC[NH2+]CC1 ZINC001336735672 888858403 /nfs/dbraw/zinc/85/84/03/888858403.db2.gz IMPQLVFZOJWXFA-UHFFFAOYSA-N 2 0 285.436 -0.077 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)NCC2([NH3+])CCOCC2)C1(F)F ZINC001336731603 888859325 /nfs/dbraw/zinc/85/93/25/888859325.db2.gz HLNCVERVGOYQBZ-HTQZYQBOSA-N 2 0 263.288 -0.550 20 0 CBADRP C[C@H](NC(=O)c1c(C[NH3+])cnn1C)C1CC[NH2+]CC1 ZINC001336741640 888862388 /nfs/dbraw/zinc/86/23/88/888862388.db2.gz HCOPOGPEHFARMD-VIFPVBQESA-N 2 0 265.361 -0.003 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]CCC(=O)NC(N)=O)C1 ZINC001336738786 888863117 /nfs/dbraw/zinc/86/31/17/888863117.db2.gz FIADEWMVSZWNEY-SNVBAGLBSA-N 2 0 256.350 -0.109 20 0 CBADRP C[NH2+]CCCC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001336741772 888864103 /nfs/dbraw/zinc/86/41/03/888864103.db2.gz CMBXVWSWJNLZIR-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001336743112 888868505 /nfs/dbraw/zinc/86/85/05/888868505.db2.gz VDGILDTYECHFLM-VVVCHXIZSA-N 2 0 261.391 -0.707 20 0 CBADRP CO[C@@H](C)[C@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001336814766 888890425 /nfs/dbraw/zinc/89/04/25/888890425.db2.gz SOPHPKJIKNFPSP-RWMBFGLXSA-N 2 0 259.394 -0.392 20 0 CBADRP [NH3+]CCCNC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001336905295 888915359 /nfs/dbraw/zinc/91/53/59/888915359.db2.gz DDZWIQFYSZUAAS-LLVKDONJSA-N 2 0 270.377 -0.207 20 0 CBADRP CCO[C@H](CNC(=O)NC[C@@H](C)C[NH3+])C[NH+](C)C ZINC001336906468 888915617 /nfs/dbraw/zinc/91/56/17/888915617.db2.gz OJJBDTRDYJAVOF-WDEREUQCSA-N 2 0 260.382 -0.153 20 0 CBADRP CCO[C@H](CNC(=O)N[C@@H](C)C[NH2+]C)C[NH+](C)C ZINC001336907686 888916720 /nfs/dbraw/zinc/91/67/20/888916720.db2.gz LZQLGMROIGTIAI-WDEREUQCSA-N 2 0 260.382 -0.140 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCNCC[NH2+]CC1 ZINC001336932507 888925186 /nfs/dbraw/zinc/92/51/86/888925186.db2.gz IVQHRINSZHTRSP-LBPRGKRZSA-N 2 0 281.404 -0.525 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001336934737 888926345 /nfs/dbraw/zinc/92/63/45/888926345.db2.gz QORQMFQOBNKWIO-LIAJTKMLSA-N 2 0 250.346 -0.070 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC001336950434 888930091 /nfs/dbraw/zinc/93/00/91/888930091.db2.gz HUKHAQQRWJNXJW-LMLFDSFASA-N 2 0 258.341 -0.077 20 0 CBADRP C[NH+](C)CCNC(=O)NCCN1CCC([NH3+])CC1 ZINC001336963162 888933820 /nfs/dbraw/zinc/93/38/20/888933820.db2.gz JGJCURKNFPKDSL-UHFFFAOYSA-N 2 0 257.382 -0.730 20 0 CBADRP CCO[C@H](CNC(=O)N(C)C[C@@H](C)[NH3+])C[NH+](C)C ZINC001336976430 888939806 /nfs/dbraw/zinc/93/98/06/888939806.db2.gz DBSBNCQJSDBMFX-GHMZBOCLSA-N 2 0 260.382 -0.058 20 0 CBADRP [NH3+]CCCCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC001336976655 888941073 /nfs/dbraw/zinc/94/10/73/888941073.db2.gz BTDLPKAPOWFZSE-UHFFFAOYSA-N 2 0 277.372 -0.040 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001337529798 889031452 /nfs/dbraw/zinc/03/14/52/889031452.db2.gz JREPUQRTNRKWGO-SRVKXCTJSA-N 2 0 282.388 -0.560 20 0 CBADRP CN1CCN(CC(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC001337590537 889047774 /nfs/dbraw/zinc/04/77/74/889047774.db2.gz IUCVVXHGJAVLAO-ZDUSSCGKSA-N 2 0 268.405 -0.356 20 0 CBADRP C(C[N@@H+]1CC[NH2+]CCC12CCOCC2)N1CC[NH2+]CC1 ZINC001337825036 889084172 /nfs/dbraw/zinc/08/41/72/889084172.db2.gz UCVUWOCZUOKOAR-UHFFFAOYSA-N 2 0 282.432 -0.264 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001448508843 913313727 /nfs/dbraw/zinc/31/37/27/913313727.db2.gz FSLIKDAAAFYLGC-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC001338352687 889146685 /nfs/dbraw/zinc/14/66/85/889146685.db2.gz QKGWNABKZIDTDE-GHMZBOCLSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[C@H]1[NH3+] ZINC001338373539 889151024 /nfs/dbraw/zinc/15/10/24/889151024.db2.gz GWOWOLDCANBDHF-IJLUTSLNSA-N 2 0 282.388 -0.621 20 0 CBADRP [NH3+]CCCNC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001338408578 889153105 /nfs/dbraw/zinc/15/31/05/889153105.db2.gz QWGNYRXGEFNWIV-UHFFFAOYSA-N 2 0 270.377 -0.111 20 0 CBADRP C[NH+]1CCN(CC[NH2+]C[C@@H](O)CC2(O)CCCC2)CC1 ZINC001338420676 889156419 /nfs/dbraw/zinc/15/64/19/889156419.db2.gz ANPPTZNDZMXOJM-AWEZNQCLSA-N 2 0 285.432 -0.121 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)NC[C@@H]1C[NH2+]CCO1)C2 ZINC001338640727 889184446 /nfs/dbraw/zinc/18/44/46/889184446.db2.gz JEGMBAPXUCETCR-USZNOCQGSA-N 2 0 268.361 -0.504 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001448602783 913326318 /nfs/dbraw/zinc/32/63/18/913326318.db2.gz MURZYCHZQBIYRK-LBPRGKRZSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001448585087 913322546 /nfs/dbraw/zinc/32/25/46/913322546.db2.gz BEZPURPFRGTRGI-ZYHUDNBSSA-N 2 0 284.404 -0.362 20 0 CBADRP CC1(C)CN(c2nccnc2C[NH3+])CC[N@@H+]1CCO ZINC001339675580 889306428 /nfs/dbraw/zinc/30/64/28/889306428.db2.gz LBQTUFWFVYFHIR-UHFFFAOYSA-N 2 0 265.361 -0.172 20 0 CBADRP [NH3+]C[C@@H]1CCN(C(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001339708953 889312228 /nfs/dbraw/zinc/31/22/28/889312228.db2.gz JRLFXGHLODCMNH-LBPRGKRZSA-N 2 0 255.362 -0.502 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)C1 ZINC001339716101 889315267 /nfs/dbraw/zinc/31/52/67/889315267.db2.gz RZLZVMUULCMPSR-AGIUHOORSA-N 2 0 266.389 -0.557 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@H]1[NH2+]CC12CCCC2 ZINC001339771784 889320970 /nfs/dbraw/zinc/32/09/70/889320970.db2.gz INDPJPRZKSQUEA-NSHDSACASA-N 2 0 255.362 -0.129 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001448643351 913337025 /nfs/dbraw/zinc/33/70/25/913337025.db2.gz CQOMXVRPUDBVAK-JHJVBQTASA-N 2 0 298.431 -0.101 20 0 CBADRP C[NH+]1CCC(CCNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001340063474 889376061 /nfs/dbraw/zinc/37/60/61/889376061.db2.gz OKUKCBGCBUNCLY-OCCSQVGLSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH+]1CCC(CCNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001340063471 889376739 /nfs/dbraw/zinc/37/67/39/889376739.db2.gz OKUKCBGCBUNCLY-GXTWGEPZSA-N 2 0 269.389 -0.053 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC001340127434 889387830 /nfs/dbraw/zinc/38/78/30/889387830.db2.gz CTHUGFQXHYWUCN-DGCLKSJQSA-N 2 0 254.378 -0.604 20 0 CBADRP [NH3+]CCN(Cc1ccccc1)C(=O)C[C@H](O)C[NH3+] ZINC001340135713 889390967 /nfs/dbraw/zinc/39/09/67/889390967.db2.gz WHJGXRYGZDJLDL-LBPRGKRZSA-N 2 0 251.330 -0.316 20 0 CBADRP C[C@]1(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C[C@H](O)C[NH2+]1 ZINC001340182813 889405405 /nfs/dbraw/zinc/40/54/05/889405405.db2.gz NCUGIVBFHSEWBE-LKEWCRSYSA-N 2 0 269.267 -0.505 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC001340148048 889396404 /nfs/dbraw/zinc/39/64/04/889396404.db2.gz LDDYMSUXBCAYFS-SKDRFNHKSA-N 2 0 257.334 -0.536 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001340174051 889402570 /nfs/dbraw/zinc/40/25/70/889402570.db2.gz YAEXIZKUBGVNHW-BZPMIXESSA-N 2 0 267.373 -0.320 20 0 CBADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@H]([NH3+])CO ZINC001340181804 889404623 /nfs/dbraw/zinc/40/46/23/889404623.db2.gz KAABXZNPCBJTTL-CYBMUJFWSA-N 2 0 265.357 -0.104 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001340205513 889409455 /nfs/dbraw/zinc/40/94/55/889409455.db2.gz MFHCGAZODNOTSJ-AGIUHOORSA-N 2 0 269.389 -0.101 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC001340232586 889412442 /nfs/dbraw/zinc/41/24/42/889412442.db2.gz GKLHWUDRJPZBHC-CQSZACIVSA-N 2 0 297.447 -0.968 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001340248232 889413774 /nfs/dbraw/zinc/41/37/74/889413774.db2.gz HRRSPHNBUUQXNQ-DZGCQCFKSA-N 2 0 298.431 -0.757 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001340239805 889414891 /nfs/dbraw/zinc/41/48/91/889414891.db2.gz CCCSRBVJXLRFPO-OBJOEFQTSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+](C)CCOCCNC(=O)C1=CCC[NH2+]CC1 ZINC001340236593 889415506 /nfs/dbraw/zinc/41/55/06/889415506.db2.gz MUXDWOTUIJWPMV-UHFFFAOYSA-N 2 0 255.362 -0.009 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001340267624 889417010 /nfs/dbraw/zinc/41/70/10/889417010.db2.gz ULMMEYRVGMZIGA-UONOGXRCSA-N 2 0 267.373 -0.297 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC001340282775 889416890 /nfs/dbraw/zinc/41/68/90/889416890.db2.gz PMJDOKKQGWYRJO-IRCOFANPSA-N 2 0 255.362 -0.003 20 0 CBADRP CN(C(=O)[C@@]1(C)C[C@H](O)C[NH2+]1)C1CC[NH+](C)CC1 ZINC001340265817 889416915 /nfs/dbraw/zinc/41/69/15/889416915.db2.gz JIIDNJAKLPTHHR-WCQYABFASA-N 2 0 255.362 -0.348 20 0 CBADRP CN(C(=O)[C@]1(C)C[C@H](O)C[NH2+]1)C1CC[NH+](C)CC1 ZINC001340265815 889417760 /nfs/dbraw/zinc/41/77/60/889417760.db2.gz JIIDNJAKLPTHHR-AAEUAGOBSA-N 2 0 255.362 -0.348 20 0 CBADRP C[C@@H](NC(=O)C1=NOC2(C1)CC[NH2+]CC2)[C@H](C)[NH3+] ZINC001340312066 889422009 /nfs/dbraw/zinc/42/20/09/889422009.db2.gz LPAOQWXXTWRMMC-DTWKUNHWSA-N 2 0 254.334 -0.263 20 0 CBADRP C[C@]1(C(=O)N[C@H]2C[NH2+]CCC2(F)F)C[C@@H](O)C[NH2+]1 ZINC001340313130 889422101 /nfs/dbraw/zinc/42/21/01/889422101.db2.gz QGSMWSLVVRSVKR-KHQFGBGNSA-N 2 0 263.288 -0.787 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC001340311239 889422586 /nfs/dbraw/zinc/42/25/86/889422586.db2.gz HWSSQVKIORBQII-GARJFASQSA-N 2 0 257.378 -0.293 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC001340311242 889422914 /nfs/dbraw/zinc/42/29/14/889422914.db2.gz HWSSQVKIORBQII-VWYCJHECSA-N 2 0 257.378 -0.293 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)CCCO1 ZINC001340347779 889425448 /nfs/dbraw/zinc/42/54/48/889425448.db2.gz YPOSTOPRUNNVEL-WZRBSPASSA-N 2 0 253.346 -0.295 20 0 CBADRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001340339625 889425882 /nfs/dbraw/zinc/42/58/82/889425882.db2.gz GCZOZGVZNXRBFU-QWHCGFSZSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C[C@@H]1C[NH3+] ZINC001340471110 889436311 /nfs/dbraw/zinc/43/63/11/889436311.db2.gz HAYYNPGMHLZLBR-XZUYRWCXSA-N 2 0 255.362 -0.457 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C[C@H]1C[NH3+] ZINC001340471108 889437596 /nfs/dbraw/zinc/43/75/96/889437596.db2.gz HAYYNPGMHLZLBR-DCQANWLSSA-N 2 0 255.362 -0.457 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC001340465321 889437703 /nfs/dbraw/zinc/43/77/03/889437703.db2.gz YPUPZTWVFLVFNY-ZWNOBZJWSA-N 2 0 269.389 -0.054 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N(C)C1CCC([NH3+])CC1 ZINC001340482979 889440324 /nfs/dbraw/zinc/44/03/24/889440324.db2.gz FDPAWKCGCRJYAH-XKGSQUFQSA-N 2 0 257.378 -0.069 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001340538733 889446723 /nfs/dbraw/zinc/44/67/23/889446723.db2.gz JUAOWSJKABCAHH-ZDUSSCGKSA-N 2 0 270.421 -0.016 20 0 CBADRP C[C@]1(C(=O)N2CCC3(C[NH2+]C3)CC2)C[C@@H](O)C[NH2+]1 ZINC001340574974 889449458 /nfs/dbraw/zinc/44/94/58/889449458.db2.gz XTXNRTZNEXRIHS-ZYHUDNBSSA-N 2 0 253.346 -0.689 20 0 CBADRP O=C(N[C@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[NH2+]CCC1(F)F ZINC001340617972 889457258 /nfs/dbraw/zinc/45/72/58/889457258.db2.gz ZTNFUPYBCDVDPH-BDAKNGLRSA-N 2 0 275.299 -0.522 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@H]([NH3+])Cc1ccccn1 ZINC001340700468 889467407 /nfs/dbraw/zinc/46/74/07/889467407.db2.gz CFOOSZROSBYFLZ-GFCCVEGCSA-N 2 0 266.345 -0.696 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001340725308 889473118 /nfs/dbraw/zinc/47/31/18/889473118.db2.gz DPTJATQZEWBKFM-SRVKXCTJSA-N 2 0 255.362 -0.443 20 0 CBADRP O=C(CC1CC[NH2+]CC1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001340727238 889473621 /nfs/dbraw/zinc/47/36/21/889473621.db2.gz NFJPXSFBDXZJTQ-CYBMUJFWSA-N 2 0 269.389 -0.051 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001340737832 889475875 /nfs/dbraw/zinc/47/58/75/889475875.db2.gz BZCUUPJVSJHDDY-HBNTYKKESA-N 2 0 253.346 -0.249 20 0 CBADRP [NH3+]Cc1cc(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)ccn1 ZINC001340735989 889476370 /nfs/dbraw/zinc/47/63/70/889476370.db2.gz RBZPWNWDTLSRFD-NSHDSACASA-N 2 0 262.313 -0.599 20 0 CBADRP O=C(N[C@H]1COC2(C[NH2+]C2)C1)[C@]12C[C@H]1CCC[NH2+]2 ZINC001340737776 889476462 /nfs/dbraw/zinc/47/64/62/889476462.db2.gz APGWNIJQBJWGQL-BREBYQMCSA-N 2 0 251.330 -0.624 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340762377 889482284 /nfs/dbraw/zinc/48/22/84/889482284.db2.gz FLKVMEVOBPDQIQ-VHSXEESVSA-N 2 0 266.345 -0.167 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCC(C)(C)C[NH+](C)C ZINC001340774692 889485153 /nfs/dbraw/zinc/48/51/53/889485153.db2.gz TWRDDWUTIFEAEL-MNOVXSKESA-N 2 0 259.394 -0.093 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001340820314 889489845 /nfs/dbraw/zinc/48/98/45/889489845.db2.gz CTVAWQOCHMGHMV-OUCADQQQSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001448687826 913351422 /nfs/dbraw/zinc/35/14/22/913351422.db2.gz WBZDPBPKKMCHAP-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C1(C[NH3+])CC(O)C1 ZINC001340824389 889493111 /nfs/dbraw/zinc/49/31/11/889493111.db2.gz RJRSISYDQWWUPO-ZBOXLXRLSA-N 2 0 257.378 -0.067 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001340825272 889493300 /nfs/dbraw/zinc/49/33/00/889493300.db2.gz WXTMDARGRYQKIG-DGCLKSJQSA-N 2 0 255.362 -0.299 20 0 CBADRP C[NH+]1CCC(CNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001340839359 889494653 /nfs/dbraw/zinc/49/46/53/889494653.db2.gz PGTXSQQJIIRRGV-WCQYABFASA-N 2 0 255.362 -0.443 20 0 CBADRP C[NH+]1CCC(CNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001340839356 889494812 /nfs/dbraw/zinc/49/48/12/889494812.db2.gz PGTXSQQJIIRRGV-DGCLKSJQSA-N 2 0 255.362 -0.443 20 0 CBADRP O=C(N1CCC[C@@H]([NH2+]CCO)C1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001340849434 889498941 /nfs/dbraw/zinc/49/89/41/889498941.db2.gz XHDPCLZWUWJRTD-SCRDCRAPSA-N 2 0 267.373 -0.441 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC001340854265 889499021 /nfs/dbraw/zinc/49/90/21/889499021.db2.gz PYUNLROBVJKQBL-RNJOBUHISA-N 2 0 267.373 -0.321 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001340868096 889500813 /nfs/dbraw/zinc/50/08/13/889500813.db2.gz SGJPOUWKSVLRRP-JHJVBQTASA-N 2 0 269.389 -0.053 20 0 CBADRP Cc1cc(NC(=O)CNCC[NH3+])n(C2CC[NH+](C)CC2)n1 ZINC001340871545 889503553 /nfs/dbraw/zinc/50/35/53/889503553.db2.gz HYRODBNOTSJZIW-UHFFFAOYSA-N 2 0 294.403 -0.055 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC001340882140 889504022 /nfs/dbraw/zinc/50/40/22/889504022.db2.gz VXMDRQPFLGDKOP-NWDGAFQWSA-N 2 0 254.378 -0.652 20 0 CBADRP O=C([C@H]1CCC[NH2+]CC1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001340868811 889504076 /nfs/dbraw/zinc/50/40/76/889504076.db2.gz VMYOYJQBOAPWIY-QWHCGFSZSA-N 2 0 269.389 -0.051 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001340888331 889507613 /nfs/dbraw/zinc/50/76/13/889507613.db2.gz SHZHVTRXZFGPCE-KKOKHZNYSA-N 2 0 257.378 -0.164 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(C)C1CC[NH+](C)CC1 ZINC001340907242 889509157 /nfs/dbraw/zinc/50/91/57/889509157.db2.gz IAJCRJBLSFDXFB-PWSUYJOCSA-N 2 0 257.378 -0.245 20 0 CBADRP [NH3+][C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2)C1CC1 ZINC001340907111 889509282 /nfs/dbraw/zinc/50/92/82/889509282.db2.gz PDSITWCTCRPGJJ-WZRBSPASSA-N 2 0 253.346 -0.534 20 0 CBADRP NOCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001340897668 889509506 /nfs/dbraw/zinc/50/95/06/889509506.db2.gz VBODXMXJUWTOLO-UHFFFAOYSA-N 2 0 251.290 -0.680 20 0 CBADRP [NH3+][C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2)C1CC1 ZINC001340907091 889509946 /nfs/dbraw/zinc/50/99/46/889509946.db2.gz PDSITWCTCRPGJJ-MDZLAQPJSA-N 2 0 253.346 -0.534 20 0 CBADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C[C@@H](O)C[NH3+])C1 ZINC001340916425 889512809 /nfs/dbraw/zinc/51/28/09/889512809.db2.gz KOQVMEYHGNXJPV-ZWNOBZJWSA-N 2 0 257.378 -0.080 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1=O ZINC001340915015 889512862 /nfs/dbraw/zinc/51/28/62/889512862.db2.gz CWXAUSBZMKONMD-FRRDWIJNSA-N 2 0 294.399 -0.463 20 0 CBADRP CC(C)[C@H]1CN(C(=O)C2(C[NH3+])CC(O)C2)CC[N@@H+]1C ZINC001340914750 889513299 /nfs/dbraw/zinc/51/32/99/889513299.db2.gz BHOBQBPWVRFIGI-MBHSVXNSSA-N 2 0 269.389 -0.115 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001340941380 889518728 /nfs/dbraw/zinc/51/87/28/889518728.db2.gz SRJZOBWRUGXNMS-MDZLAQPJSA-N 2 0 252.362 -0.709 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001341015936 889532986 /nfs/dbraw/zinc/53/29/86/889532986.db2.gz WJAONRFWDJBSBE-WDEREUQCSA-N 2 0 255.362 -0.131 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCN1CCC([NH3+])CC1 ZINC001341056724 889535775 /nfs/dbraw/zinc/53/57/75/889535775.db2.gz OKMJDHJHYGYMFV-BTBCPRSTSA-N 2 0 280.416 -0.063 20 0 CBADRP CN(C)c1cc[nH+]c(CNC(=O)[C@H]2C[NH2+]CCO2)c1 ZINC001341047466 889535929 /nfs/dbraw/zinc/53/59/29/889535929.db2.gz BUMLPBSCOBZIJR-GFCCVEGCSA-N 2 0 264.329 -0.248 20 0 CBADRP [NH3+][C@@H]1C[C@H](C(=O)NCCN2CCC([NH3+])CC2)[C@H]2C[C@H]21 ZINC001341055589 889536276 /nfs/dbraw/zinc/53/62/76/889536276.db2.gz BKGUNPIQURAXEQ-QNWHQSFQSA-N 2 0 266.389 -0.491 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCN1CCC([NH3+])CC1 ZINC001341056098 889536402 /nfs/dbraw/zinc/53/64/02/889536402.db2.gz GXWPTRMCFMDGJZ-STQMWFEESA-N 2 0 268.405 -0.086 20 0 CBADRP COC[C@H]([NH3+])C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001341069862 889538543 /nfs/dbraw/zinc/53/85/43/889538543.db2.gz HCETVZWGWKFBAG-LBPRGKRZSA-N 2 0 272.393 -0.848 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1(F)F ZINC001341116441 889544757 /nfs/dbraw/zinc/54/47/57/889544757.db2.gz PHXMZOIFQDYHHD-MRTMQBJTSA-N 2 0 263.288 -0.861 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)C[C@H]1[NH3+] ZINC001341137843 889547121 /nfs/dbraw/zinc/54/71/21/889547121.db2.gz SBLHUGRIGVYRMD-ZYHUDNBSSA-N 2 0 255.362 -0.504 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC001341124404 889547407 /nfs/dbraw/zinc/54/74/07/889547407.db2.gz SMQOIDSGMPQUNV-YFKTTZPYSA-N 2 0 257.378 -0.354 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC(C)(C)CC[NH3+] ZINC001341129808 889547494 /nfs/dbraw/zinc/54/74/94/889547494.db2.gz LXQMXSLFGWHKDT-WDEREUQCSA-N 2 0 254.378 -0.382 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001341206706 889556332 /nfs/dbraw/zinc/55/63/32/889556332.db2.gz RVZLXXAXCMGZRA-WDEREUQCSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC001341240041 889563440 /nfs/dbraw/zinc/56/34/40/889563440.db2.gz RIVNEBNZUXTYID-WZRBSPASSA-N 2 0 255.362 -0.184 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC001341250217 889564485 /nfs/dbraw/zinc/56/44/85/889564485.db2.gz KNXDOQHVWFBSCC-MBNYWOFBSA-N 2 0 269.389 -0.066 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC(C[NH3+])CC1 ZINC001341245427 889565651 /nfs/dbraw/zinc/56/56/51/889565651.db2.gz XLQJHMVSIYFTAA-SNVBAGLBSA-N 2 0 257.334 -0.536 20 0 CBADRP CC[NH2+]CCNC(=O)C1CC2(C1)C[C@@H]([NH3+])CCO2 ZINC001341242384 889565900 /nfs/dbraw/zinc/56/59/00/889565900.db2.gz ARVDCHYHOYXWAX-AKJDGMEZSA-N 2 0 255.362 -0.001 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2[NH2+]CC23CCOCC3)C1 ZINC001341291268 889571484 /nfs/dbraw/zinc/57/14/84/889571484.db2.gz LTYUTQQHUXVCIB-VXGBXAGGSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1[NH2+]CC12CCCC2 ZINC001341294441 889571731 /nfs/dbraw/zinc/57/17/31/889571731.db2.gz YVCVIQANTTUBTK-WDEREUQCSA-N 2 0 253.346 -0.377 20 0 CBADRP C[C@@H]1[NH2+]CCn2c(C(=O)NC[C@H](O)C[NH3+])ccc21 ZINC001341382573 889585814 /nfs/dbraw/zinc/58/58/14/889585814.db2.gz IIOXSKRQGXXCFW-DTWKUNHWSA-N 2 0 252.318 -0.798 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)c1coc([C@@H]2CCC[NH2+]2)n1 ZINC001341416775 889593454 /nfs/dbraw/zinc/59/34/54/889593454.db2.gz ALQRSUYBNOETSY-OYNCUSHFSA-N 2 0 266.301 -0.838 20 0 CBADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@]13C[NH2+]C[C@H]1COC3)C2 ZINC001341468948 889603439 /nfs/dbraw/zinc/60/34/39/889603439.db2.gz MKVUVLJGRVMDET-JNLQPACOSA-N 2 0 265.357 -0.439 20 0 CBADRP CN(CCOCC[NH3+])C(=O)COC1CC[NH+](C)CC1 ZINC001341472668 889603911 /nfs/dbraw/zinc/60/39/11/889603911.db2.gz LQINTPCCJYLXHT-UHFFFAOYSA-N 2 0 273.377 -0.469 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@]13C[NH2+]C[C@H]1COC3)C2 ZINC001341468947 889604190 /nfs/dbraw/zinc/60/41/90/889604190.db2.gz MKVUVLJGRVMDET-HNRZYHPDSA-N 2 0 265.357 -0.439 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CCCCC[C@@H]([NH3+])C2)C1=O ZINC001341494051 889607381 /nfs/dbraw/zinc/60/73/81/889607381.db2.gz XNBFLCNHRWQNBQ-OLZOCXBDSA-N 2 0 296.415 -0.086 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001341477766 889607465 /nfs/dbraw/zinc/60/74/65/889607465.db2.gz RNQMAYDELNOTIF-YKYJLBSESA-N 2 0 281.400 -0.029 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC001341492788 889607561 /nfs/dbraw/zinc/60/75/61/889607561.db2.gz MHGDUDHYJSIXPK-SRVKXCTJSA-N 2 0 257.378 -0.067 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[C@H](O)C[NH2+]C ZINC001341514446 889611400 /nfs/dbraw/zinc/61/14/00/889611400.db2.gz GYICEEYUSRDESZ-QJPTWQEYSA-N 2 0 257.378 -0.197 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]1)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001341513088 889611921 /nfs/dbraw/zinc/61/19/21/889611921.db2.gz BLWFKTLGVNGINL-SKDRFNHKSA-N 2 0 252.318 -0.876 20 0 CBADRP O=C(NC1(C2CC[NH2+]CC2)CC1)[C@H]1C[NH2+]CCO1 ZINC001341524957 889614018 /nfs/dbraw/zinc/61/40/18/889614018.db2.gz AZRLOZHBMGMTCR-LLVKDONJSA-N 2 0 253.346 -0.377 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001341547326 889621074 /nfs/dbraw/zinc/62/10/74/889621074.db2.gz MQAZHKAUTBEWLN-GRYCIOLGSA-N 2 0 252.362 -0.757 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001341571259 889623498 /nfs/dbraw/zinc/62/34/98/889623498.db2.gz OAOSOHCJFMUQFF-GXTWGEPZSA-N 2 0 269.389 -0.051 20 0 CBADRP C[C@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)[NH2+]CC(N)=O ZINC001448745381 913365756 /nfs/dbraw/zinc/36/57/56/913365756.db2.gz GOLNXFSPRHFSMV-GFCCVEGCSA-N 2 0 284.404 -0.360 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001341619464 889634597 /nfs/dbraw/zinc/63/45/97/889634597.db2.gz MQGJJHNDYFKUFJ-AGIUHOORSA-N 2 0 267.373 -0.238 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CC[NH+](C(C)C)CC1 ZINC001341643718 889640062 /nfs/dbraw/zinc/64/00/62/889640062.db2.gz CZJIQUAOAODQHA-NWDGAFQWSA-N 2 0 257.378 -0.245 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC001341652515 889640090 /nfs/dbraw/zinc/64/00/90/889640090.db2.gz OFBHBLSCRCBTEB-KXNHARMFSA-N 2 0 257.378 -0.435 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC001341653686 889640182 /nfs/dbraw/zinc/64/01/82/889640182.db2.gz WZUMJAINZUAXQT-DDHJBXDOSA-N 2 0 255.362 -0.288 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC[NH2+]1 ZINC001341660034 889642556 /nfs/dbraw/zinc/64/25/56/889642556.db2.gz QHHKSEXBKXLOEP-LPWJVIDDSA-N 2 0 266.389 -0.369 20 0 CBADRP [NH3+][C@@H]1C[C@H](NC(=O)C[C@]2(O)CCC[NH2+]C2)C12CCC2 ZINC001341656797 889642731 /nfs/dbraw/zinc/64/27/31/889642731.db2.gz YPCHJZFTIGKURB-NTZNESFSSA-N 2 0 267.373 -0.123 20 0 CBADRP C[C@]1(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C[C@H](O)C[NH2+]1 ZINC001341664710 889643020 /nfs/dbraw/zinc/64/30/20/889643020.db2.gz DLZZDNFSWIPBCF-IACUBPJLSA-N 2 0 267.373 -0.299 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCO[C@H]2C[NH3+])C[C@H]1CC[NH3+] ZINC001341662882 889643069 /nfs/dbraw/zinc/64/30/69/889643069.db2.gz DRCPEPBQWRLHQZ-WYUUTHIRSA-N 2 0 255.362 -0.207 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC001341660087 889643316 /nfs/dbraw/zinc/64/33/16/889643316.db2.gz RUKUDFBSAYEBQC-JHJVBQTASA-N 2 0 266.389 -0.367 20 0 CBADRP CCN1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC001341675284 889645595 /nfs/dbraw/zinc/64/55/95/889645595.db2.gz KDMLXWDHXRMUIY-OBJOEFQTSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001341672955 889645850 /nfs/dbraw/zinc/64/58/50/889645850.db2.gz RHJKBJAPNCQWLQ-SCVCMEIPSA-N 2 0 255.362 -0.444 20 0 CBADRP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC001341672299 889645891 /nfs/dbraw/zinc/64/58/91/889645891.db2.gz CUYOETAQIMEBDM-QWHCGFSZSA-N 2 0 268.405 -0.262 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)[C@]12C[C@H]1CCC[NH2+]2 ZINC001341688351 889648994 /nfs/dbraw/zinc/64/89/94/889648994.db2.gz HCIYTAXPMUFRSE-WZRBSPASSA-N 2 0 253.346 -0.377 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001341709128 889651559 /nfs/dbraw/zinc/65/15/59/889651559.db2.gz TTXPJSZKYVGVIX-NSHDSACASA-N 2 0 267.373 -0.035 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001341708181 889652639 /nfs/dbraw/zinc/65/26/39/889652639.db2.gz HEKHLAQTGOGDJX-IUCAKERBSA-N 2 0 283.294 -0.040 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001341776870 889659755 /nfs/dbraw/zinc/65/97/55/889659755.db2.gz CCDLTHBBXLIHLO-RGOKHQFPSA-N 2 0 259.300 -0.045 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC1(C)CC[NH2+]CC1 ZINC001341769063 889660331 /nfs/dbraw/zinc/66/03/31/889660331.db2.gz YRUDMRDCGASPNM-NWDGAFQWSA-N 2 0 266.389 -0.367 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001341797860 889665305 /nfs/dbraw/zinc/66/53/05/889665305.db2.gz NZGFQAWNUFBROC-QJPTWQEYSA-N 2 0 269.389 -0.067 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001341798277 889665430 /nfs/dbraw/zinc/66/54/30/889665430.db2.gz OLVJLBOODDDNPW-IJLUTSLNSA-N 2 0 255.362 -0.456 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001341795449 889666514 /nfs/dbraw/zinc/66/65/14/889666514.db2.gz IJUBSUQVWTYJIX-NTZNESFSSA-N 2 0 255.362 -0.265 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)NCCCCCN1CC[NH2+]CC1 ZINC001341823499 889668503 /nfs/dbraw/zinc/66/85/03/889668503.db2.gz OQONNUVVSQTCIR-CQSZACIVSA-N 2 0 298.431 -0.443 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001341860996 889676326 /nfs/dbraw/zinc/67/63/26/889676326.db2.gz YRMKOZJEQZMOEV-OPQQBVKSSA-N 2 0 255.362 -0.328 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001341861099 889676994 /nfs/dbraw/zinc/67/69/94/889676994.db2.gz ZORUPHLPPGYOCK-GWCFXTLKSA-N 2 0 255.362 -0.456 20 0 CBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001341977744 889692081 /nfs/dbraw/zinc/69/20/81/889692081.db2.gz MXBYJKFKEYECFW-GYEOWSFSSA-N 2 0 253.346 -0.264 20 0 CBADRP C[C@@H]1CC2(CN1C(=O)CNCC[NH3+])CC[NH2+]CC2 ZINC001341988039 889695121 /nfs/dbraw/zinc/69/51/21/889695121.db2.gz DPVVLRFBTDLOSO-LLVKDONJSA-N 2 0 254.378 -0.475 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C[NH+]1CCC(CO)CC1 ZINC001342009811 889696384 /nfs/dbraw/zinc/69/63/84/889696384.db2.gz ZGCWQNYKXMKUOX-WDEREUQCSA-N 2 0 257.378 -0.067 20 0 CBADRP [NH3+][C@H]1C[C@H](NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC001342063994 889705079 /nfs/dbraw/zinc/70/50/79/889705079.db2.gz DJKCZPGAQXIHKX-GUBZILKMSA-N 2 0 264.333 -0.578 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC001342126599 889715311 /nfs/dbraw/zinc/71/53/11/889715311.db2.gz QLLCLULFYPDEMQ-TUAOUCFPSA-N 2 0 265.357 -0.236 20 0 CBADRP CCN(C(=O)[C@H](N)CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001342171475 889722727 /nfs/dbraw/zinc/72/27/27/889722727.db2.gz GJAUDDSARWPIKH-NWDGAFQWSA-N 2 0 256.394 -0.134 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001342176728 889726877 /nfs/dbraw/zinc/72/68/77/889726877.db2.gz URAZDRADWKENAI-NNYUYHANSA-N 2 0 253.346 -0.548 20 0 CBADRP [NH3+][C@H](CC1CCCCC1)C(=O)NCC1(O)C[NH2+]C1 ZINC001342190456 889728354 /nfs/dbraw/zinc/72/83/54/889728354.db2.gz MOZWJJCBDJGPMV-LLVKDONJSA-N 2 0 255.362 -0.265 20 0 CBADRP O=C(NCC1(O)C[NH2+]C1)[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 ZINC001342192106 889728784 /nfs/dbraw/zinc/72/87/84/889728784.db2.gz ZHOLFTRMXIMQFS-GRYCIOLGSA-N 2 0 267.373 -0.395 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001342190679 889728943 /nfs/dbraw/zinc/72/89/43/889728943.db2.gz TYCXQLCRPWEDRZ-NQBHXWOUSA-N 2 0 252.362 -0.770 20 0 CBADRP [NH3+]CC1(C(=O)NC[C@@H]2CCCCC[NH2+]2)CC(O)C1 ZINC001342211890 889732268 /nfs/dbraw/zinc/73/22/68/889732268.db2.gz FIMGGXVZLHYREJ-ZBOXLXRLSA-N 2 0 255.362 -0.265 20 0 CBADRP CN(C(=O)CNCC[NH3+])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001342238270 889735171 /nfs/dbraw/zinc/73/51/71/889735171.db2.gz YEMNQMVHNXNDOD-AWEZNQCLSA-N 2 0 297.447 -0.838 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001342251620 889739415 /nfs/dbraw/zinc/73/94/15/889739415.db2.gz SGWRVCQNYKJODN-XQQFMLRXSA-N 2 0 268.405 -0.136 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001342255570 889740947 /nfs/dbraw/zinc/74/09/47/889740947.db2.gz IUJQQHVJCSJYHS-SKDRFNHKSA-N 2 0 254.334 -0.310 20 0 CBADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001342251976 889741374 /nfs/dbraw/zinc/74/13/74/889741374.db2.gz ZBDZURKDYJJBHJ-NWDGAFQWSA-N 2 0 257.378 -0.067 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC001342267480 889744722 /nfs/dbraw/zinc/74/47/22/889744722.db2.gz UEGSIRNTFSXXNG-ZDUSSCGKSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]C)CC[N@@H+]1C ZINC001342267080 889744735 /nfs/dbraw/zinc/74/47/35/889744735.db2.gz OAJPHINRPDMTKY-SDDRHHMPSA-N 2 0 257.378 -0.245 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NC1(C[NH3+])CCCCC1 ZINC001342290813 889746713 /nfs/dbraw/zinc/74/67/13/889746713.db2.gz NHFJUBJOUYNZQI-WDEREUQCSA-N 2 0 257.378 -0.019 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](C(=O)N2NC(=O)C[C@@]23CC[NH2+]C3)C1 ZINC001342288986 889748082 /nfs/dbraw/zinc/74/80/82/889748082.db2.gz CNVKAFLLAINMDG-OPQQBVKSSA-N 2 0 266.345 -0.501 20 0 CBADRP [NH3+]CC1(NC(=O)C2=CCC[NH2+]CC2)CCOCC1 ZINC001342319691 889752861 /nfs/dbraw/zinc/75/28/61/889752861.db2.gz CIXJECGAWRVXNJ-UHFFFAOYSA-N 2 0 253.346 -0.080 20 0 CBADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001342350079 889758403 /nfs/dbraw/zinc/75/84/03/889758403.db2.gz RDRLGEMOVAZGLT-FMSGJZPZSA-N 2 0 267.373 -0.206 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC001342350893 889759177 /nfs/dbraw/zinc/75/91/77/889759177.db2.gz VPGGJYFOZDGXER-GMXVVIOVSA-N 2 0 257.378 -0.067 20 0 CBADRP C[C@@H]1CN(C(=O)CNCC[NH3+])CCN1c1cc[nH+]cc1 ZINC001342365562 889760965 /nfs/dbraw/zinc/76/09/65/889760965.db2.gz QSQPHGRPZJBPOK-GFCCVEGCSA-N 2 0 277.372 -0.333 20 0 CBADRP C[C@@H](NC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1)C1CC[NH2+]CC1 ZINC001342391768 889766759 /nfs/dbraw/zinc/76/67/59/889766759.db2.gz JSXMAAHADLBXKE-XWIASGKRSA-N 2 0 255.362 -0.396 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001342414110 889770713 /nfs/dbraw/zinc/77/07/13/889770713.db2.gz CFSXCFQSUFVKSI-ZYHUDNBSSA-N 2 0 265.361 -0.218 20 0 CBADRP CC1(C)CN(C(=O)CO[C@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC001342584832 889794613 /nfs/dbraw/zinc/79/46/13/889794613.db2.gz PNJPCJUNSOCFCN-WDEREUQCSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(NCCCCCN1CC[NH2+]CC1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001342596896 889798846 /nfs/dbraw/zinc/79/88/46/889798846.db2.gz GJFCXVSIKOYGAQ-MELADBBJSA-N 2 0 280.416 -0.214 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC001342635558 889807739 /nfs/dbraw/zinc/80/77/39/889807739.db2.gz UHRJQBSKRFUIEU-YPMHNXCESA-N 2 0 255.362 -0.061 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)C[C@H]1[NH3+] ZINC001342649004 889811014 /nfs/dbraw/zinc/81/10/14/889811014.db2.gz LPEZQMSBRSSNTB-WRWGMCAJSA-N 2 0 252.362 -0.820 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001342669742 889813405 /nfs/dbraw/zinc/81/34/05/889813405.db2.gz UXBSGALGCOHDPA-TUAOUCFPSA-N 2 0 253.346 -0.567 20 0 CBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCNCC[NH2+]CC2)C1(C)C ZINC001342705165 889817669 /nfs/dbraw/zinc/81/76/69/889817669.db2.gz ROTLBOKYTYCAPH-DOMZBBRYSA-N 2 0 298.431 -0.460 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001342696031 889819135 /nfs/dbraw/zinc/81/91/35/889819135.db2.gz LFZABOOUMGOPJR-XQQFMLRXSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001342817200 889832032 /nfs/dbraw/zinc/83/20/32/889832032.db2.gz USNRWVSBTDQOGB-CLPYTZEMSA-N 2 0 269.389 -0.341 20 0 CBADRP C[S@](=O)C1(C(=O)N[C@H]2C[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC001342830178 889833666 /nfs/dbraw/zinc/83/36/66/889833666.db2.gz KADZDZJCTYLYEX-GSRNSYJJSA-N 2 0 259.375 -0.907 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC001343038677 889858501 /nfs/dbraw/zinc/85/85/01/889858501.db2.gz RHIFSLVBECXDDJ-USZNOCQGSA-N 2 0 257.378 -0.211 20 0 CBADRP CN(C(=O)[C@@H]1[NH2+]CC1(C)C)C1(C[NH3+])CCOCC1 ZINC001342854601 889835563 /nfs/dbraw/zinc/83/55/63/889835563.db2.gz YZIVWBMYSHTIEW-JTQLQIEISA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC001342853695 889835735 /nfs/dbraw/zinc/83/57/35/889835735.db2.gz WNPHQCXFYHKRQK-DYEKYZERSA-N 2 0 268.405 -0.005 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC001342853704 889836263 /nfs/dbraw/zinc/83/62/63/889836263.db2.gz WNPHQCXFYHKRQK-OBJOEFQTSA-N 2 0 268.405 -0.005 20 0 CBADRP O=C(NCC[C@H]1CCC[NH2+]CC1)[C@@H]1C[NH2+]CCO1 ZINC001342886296 889842873 /nfs/dbraw/zinc/84/28/73/889842873.db2.gz GNLWSVAHQULIHF-RYUDHWBXSA-N 2 0 255.362 -0.129 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC001342992077 889851050 /nfs/dbraw/zinc/85/10/50/889851050.db2.gz FWAGZOLPWLYSAU-WDEREUQCSA-N 2 0 259.350 -0.813 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001343041550 889861081 /nfs/dbraw/zinc/86/10/81/889861081.db2.gz WJOGKHDDUGYLIH-LBPRGKRZSA-N 2 0 266.389 -0.462 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001343041512 889862660 /nfs/dbraw/zinc/86/26/60/889862660.db2.gz WJOGKHDDUGYLIH-GFCCVEGCSA-N 2 0 266.389 -0.462 20 0 CBADRP [NH3+][C@@H]1C[C@H](NC(=O)C[C@@H]2COCC[NH2+]2)C12CCC2 ZINC001343203418 889875904 /nfs/dbraw/zinc/87/59/04/889875904.db2.gz YCSQKXRHNDSSFS-MXWKQRLJSA-N 2 0 253.346 -0.249 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001343178423 889876065 /nfs/dbraw/zinc/87/60/65/889876065.db2.gz KFEZPEXKZMJYCA-WYUUTHIRSA-N 2 0 253.346 -0.711 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001343372596 889895898 /nfs/dbraw/zinc/89/58/98/889895898.db2.gz VLTGDMMBHZRFBN-ZDUSSCGKSA-N 2 0 296.415 -0.264 20 0 CBADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001343377684 889896676 /nfs/dbraw/zinc/89/66/76/889896676.db2.gz OZWOZXUBEDVDRR-WFASDCNBSA-N 2 0 281.400 -0.051 20 0 CBADRP C[C@H](CNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2)[NH+](C)C ZINC001343393191 889898490 /nfs/dbraw/zinc/89/84/90/889898490.db2.gz FMULMOOUBYEORF-ZWNOBZJWSA-N 2 0 268.361 -0.049 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001343394433 889898534 /nfs/dbraw/zinc/89/85/34/889898534.db2.gz ZCYLOKUYEGLBCS-WCQYABFASA-N 2 0 273.377 -0.816 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC001343391929 889898957 /nfs/dbraw/zinc/89/89/57/889898957.db2.gz MGLGYZZQZDCARE-YPMHNXCESA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1)[N@H+](C)C1CC1 ZINC001343419221 889902922 /nfs/dbraw/zinc/90/29/22/889902922.db2.gz CJYBCJZWFHCOCE-XWIASGKRSA-N 2 0 255.362 -0.302 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCC1CC[NH+](C)CC1 ZINC001343407846 889903273 /nfs/dbraw/zinc/90/32/73/889903273.db2.gz NUMXAMSLLYCKMH-JQWIXIFHSA-N 2 0 257.378 -0.339 20 0 CBADRP C[C@H](CNC(=O)C[C@H](O)C[NH3+])[NH+]1CCC(C)CC1 ZINC001343407526 889904229 /nfs/dbraw/zinc/90/42/29/889904229.db2.gz DYJPIRQOHXOOCP-NEPJUHHUSA-N 2 0 257.378 -0.067 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1(C[NH3+])CC(O)C1 ZINC001343444822 889908638 /nfs/dbraw/zinc/90/86/38/889908638.db2.gz MPIAQUSYSQWZNV-DALYFSDCSA-N 2 0 267.373 -0.315 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1(C[NH3+])CC(O)C1 ZINC001343444823 889909242 /nfs/dbraw/zinc/90/92/42/889909242.db2.gz MPIAQUSYSQWZNV-IXOPQVEJSA-N 2 0 267.373 -0.315 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC001343440040 889910606 /nfs/dbraw/zinc/91/06/06/889910606.db2.gz VECHPBTVFHQNQD-TUAOUCFPSA-N 2 0 257.378 -0.339 20 0 CBADRP [NH3+][C@@H](CNC(=O)C1=NOC2(C1)CC[NH2+]CC2)C1CC1 ZINC001343457199 889911872 /nfs/dbraw/zinc/91/18/72/889911872.db2.gz AHOPJGOYOQOOAX-JTQLQIEISA-N 2 0 266.345 -0.262 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC001343460388 889912206 /nfs/dbraw/zinc/91/22/06/889912206.db2.gz ZMRKCJLAOKSGFR-LPEHRKFASA-N 2 0 257.334 -0.537 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC001343451220 889912542 /nfs/dbraw/zinc/91/25/42/889912542.db2.gz BFQSCZKRJRQQNE-JHJVBQTASA-N 2 0 268.405 -0.277 20 0 CBADRP C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)[C@H]1C[N@H+](C)CCN1C ZINC001343492026 889922465 /nfs/dbraw/zinc/92/24/65/889922465.db2.gz UTSIWRXHKLHHCB-RWMBFGLXSA-N 2 0 268.405 -0.121 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[C@@H]1[NH3+] ZINC001343489463 889922819 /nfs/dbraw/zinc/92/28/19/889922819.db2.gz SMPKVNPHQOCECN-UPJWGTAASA-N 2 0 296.415 -0.231 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001343506649 889925016 /nfs/dbraw/zinc/92/50/16/889925016.db2.gz RYKDRPPRCLTTQD-NEPJUHHUSA-N 2 0 296.415 -0.312 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC001343507258 889925472 /nfs/dbraw/zinc/92/54/72/889925472.db2.gz ILQGYXAVIFFLDX-GHMZBOCLSA-N 2 0 252.362 -0.852 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001343506740 889925840 /nfs/dbraw/zinc/92/58/40/889925840.db2.gz TTZDEGIQMKGSHC-AUTRQRHGSA-N 2 0 254.334 -0.263 20 0 CBADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001343506651 889926206 /nfs/dbraw/zinc/92/62/06/889926206.db2.gz RYKDRPPRCLTTQD-NWDGAFQWSA-N 2 0 296.415 -0.312 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001343504131 889926266 /nfs/dbraw/zinc/92/62/66/889926266.db2.gz FAOZELNCGBOPPL-RYUDHWBXSA-N 2 0 254.378 -0.617 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])[C@@H]1C[N@H+](C)CCN1C ZINC001343581788 889935082 /nfs/dbraw/zinc/93/50/82/889935082.db2.gz FMADLHMMOUVWQS-KKOKHZNYSA-N 2 0 254.378 -0.668 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)NC[C@H]2CCC[NH2+]CC2)=NO1 ZINC001343628670 889941046 /nfs/dbraw/zinc/94/10/46/889941046.db2.gz NEWJTXADXVHWEX-VHSXEESVSA-N 2 0 254.334 -0.404 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001343763668 889961877 /nfs/dbraw/zinc/96/18/77/889961877.db2.gz FGXUEIHSIVDSPF-AAEUAGOBSA-N 2 0 255.362 -0.169 20 0 CBADRP O=C(NCC[C@@H]1CCC[NH2+]CC1)[C@H]1C[NH2+]CCO1 ZINC001343763757 889962603 /nfs/dbraw/zinc/96/26/03/889962603.db2.gz GNLWSVAHQULIHF-VXGBXAGGSA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@H]2COC3(C[NH2+]C3)C2)C1 ZINC001344010948 889991409 /nfs/dbraw/zinc/99/14/09/889991409.db2.gz HHUQSMMUHORRNV-GMTAPVOTSA-N 2 0 253.346 -0.378 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001344012010 889991743 /nfs/dbraw/zinc/99/17/43/889991743.db2.gz SLSLYKSCFUECQJ-YYAQPZEXSA-N 2 0 265.357 -0.355 20 0 CBADRP O=C([C@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CCOC2(C[NH2+]C2)C1 ZINC001344093770 890004991 /nfs/dbraw/zinc/00/49/91/890004991.db2.gz UYRCHDSHTMSZSL-VWYCJHECSA-N 2 0 251.330 -0.957 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001344128722 890006528 /nfs/dbraw/zinc/00/65/28/890006528.db2.gz UPUPYEZRUQSHNM-YPMHNXCESA-N 2 0 255.362 -0.299 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1=O ZINC001344128048 890008027 /nfs/dbraw/zinc/00/80/27/890008027.db2.gz KWHTWNGGWAXYOG-NWDGAFQWSA-N 2 0 294.399 -0.416 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC001344386087 890020795 /nfs/dbraw/zinc/02/07/95/890020795.db2.gz DEBPMXIREAPICX-QWHCGFSZSA-N 2 0 265.357 -0.232 20 0 CBADRP O=C(C[C@H]1CC[NH2+]C1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001344373428 890021137 /nfs/dbraw/zinc/02/11/37/890021137.db2.gz FPWVBDCTFBBUSX-NEPJUHHUSA-N 2 0 255.362 -0.441 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(C)C[C@@H](O)C[NH2+]3)CC[C@H]21 ZINC001344460016 890027892 /nfs/dbraw/zinc/02/78/92/890027892.db2.gz BVKITMCTXIXWDR-BYNQJWBRSA-N 2 0 267.373 -0.348 20 0 CBADRP O=C(CC[C@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@@H]1CO ZINC001344520076 890035432 /nfs/dbraw/zinc/03/54/32/890035432.db2.gz WWFULZDDYZOXSC-VXGBXAGGSA-N 2 0 255.362 -0.441 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001344747983 890057795 /nfs/dbraw/zinc/05/77/95/890057795.db2.gz PQWFKWZMRPBKSZ-GRYCIOLGSA-N 2 0 266.389 -0.430 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001344846503 890073612 /nfs/dbraw/zinc/07/36/12/890073612.db2.gz NMXJORPOBNJJJZ-AXTSPUMRSA-N 2 0 254.334 -0.313 20 0 CBADRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001344846502 890074428 /nfs/dbraw/zinc/07/44/28/890074428.db2.gz NMXJORPOBNJJJZ-AATLWQCWSA-N 2 0 254.334 -0.313 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001344849054 890074781 /nfs/dbraw/zinc/07/47/81/890074781.db2.gz YLPXJTNSGLVOHA-TVQRCGJNSA-N 2 0 263.345 -0.422 20 0 CBADRP C[C@H]1[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)CC[N@@H+]1C ZINC001344876741 890077556 /nfs/dbraw/zinc/07/75/56/890077556.db2.gz JMYHKLDHDBHZRJ-WCBMZHEXSA-N 2 0 263.345 -0.122 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001344921294 890079828 /nfs/dbraw/zinc/07/98/28/890079828.db2.gz XJDZBBDIYVNTQQ-OLZOCXBDSA-N 2 0 284.404 -0.706 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001344921351 890081112 /nfs/dbraw/zinc/08/11/12/890081112.db2.gz YSZPAKSJYAJRSG-GFCCVEGCSA-N 2 0 286.420 -0.724 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001344987813 890086717 /nfs/dbraw/zinc/08/67/17/890086717.db2.gz HZGXCUAWZRKJGP-DMDPSCGWSA-N 2 0 255.362 -0.184 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001345013776 890090053 /nfs/dbraw/zinc/09/00/53/890090053.db2.gz WXMVDMBDJIGHMU-SCRDCRAPSA-N 2 0 267.373 -0.190 20 0 CBADRP CC[NH+](CC)C1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC001345197320 890111445 /nfs/dbraw/zinc/11/14/45/890111445.db2.gz ILPLQEJEHYMEOK-UHFFFAOYSA-N 2 0 282.388 -0.593 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC[NH2+]C1 ZINC001345383014 890123961 /nfs/dbraw/zinc/12/39/61/890123961.db2.gz XBOKXVNEHODRDL-ZWNOBZJWSA-N 2 0 255.362 -0.273 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001345379757 890125192 /nfs/dbraw/zinc/12/51/92/890125192.db2.gz FWIXBLAQGOVHJO-MNOVXSKESA-N 2 0 282.388 -0.702 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2C[NH2+]CC2(C)C)CC[NH2+]C1 ZINC001345383011 890125244 /nfs/dbraw/zinc/12/52/44/890125244.db2.gz XBOKXVNEHODRDL-GWCFXTLKSA-N 2 0 255.362 -0.273 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2CCCCC[NH2+]2)C[C@@H](O)C[NH2+]1 ZINC001345525687 890138558 /nfs/dbraw/zinc/13/85/58/890138558.db2.gz MBBDZEVIAAOKAS-NQBHXWOUSA-N 2 0 255.362 -0.252 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC001345578215 890143293 /nfs/dbraw/zinc/14/32/93/890143293.db2.gz SLQOMYPDBURVQA-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)CC[NH2+]CC1CC1 ZINC001345655517 890151338 /nfs/dbraw/zinc/15/13/38/890151338.db2.gz IZSCDHYEFPRCMX-LBPRGKRZSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC001345810872 890167483 /nfs/dbraw/zinc/16/74/83/890167483.db2.gz TXTWVWNLMCTWAJ-JTQLQIEISA-N 2 0 268.365 -0.398 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001345821692 890170004 /nfs/dbraw/zinc/17/00/04/890170004.db2.gz FILFEXRNWUZNKW-NXEZZACHSA-N 2 0 254.334 -0.310 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CCO1 ZINC001345826875 890170256 /nfs/dbraw/zinc/17/02/56/890170256.db2.gz XEIRUJYCBWXAIA-QWRGUYRKSA-N 2 0 253.346 -0.438 20 0 CBADRP C[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[C@H](C)[NH3+] ZINC001345904050 890177853 /nfs/dbraw/zinc/17/78/53/890177853.db2.gz NXXLNHXQOFZMIU-LLHIFLOGSA-N 2 0 265.361 -0.344 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001345897808 890178080 /nfs/dbraw/zinc/17/80/80/890178080.db2.gz XQNLLUYQFHLAEM-QWRGUYRKSA-N 2 0 266.349 -0.362 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CC23CCOCC3)CC[C@@H]1[NH3+] ZINC001346047387 890204519 /nfs/dbraw/zinc/20/45/19/890204519.db2.gz FFVALDYNKARQOB-GRYCIOLGSA-N 2 0 267.373 -0.049 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCN1C[C@H]2C ZINC001346173083 890228632 /nfs/dbraw/zinc/22/86/32/890228632.db2.gz KBGFAHUHGCAOKA-ZIAGYGMSSA-N 2 0 298.431 -0.541 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCNc2cnccn2)CC1 ZINC001346178485 890231686 /nfs/dbraw/zinc/23/16/86/890231686.db2.gz GNBHDMHKPSCHRL-CYBMUJFWSA-N 2 0 294.403 -0.914 20 0 CBADRP C[NH+]1CCN(CC[NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001346180090 890232629 /nfs/dbraw/zinc/23/26/29/890232629.db2.gz LNDYMDLLXXODNP-CYBMUJFWSA-N 2 0 267.377 -0.919 20 0 CBADRP CC(C)[NH2+]CC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001346228477 890243841 /nfs/dbraw/zinc/24/38/41/890243841.db2.gz JEQJCABBFISJNS-VXGBXAGGSA-N 2 0 256.394 -0.265 20 0 CBADRP C/C(=C\C(=O)NCC[NH+](C)C)C(=O)NCC[NH+](C)C ZINC001346250021 890251175 /nfs/dbraw/zinc/25/11/75/890251175.db2.gz QQKVCYRBZXZTSL-ZHACJKMWSA-N 2 0 270.377 -0.712 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC001346321406 890267976 /nfs/dbraw/zinc/26/79/76/890267976.db2.gz VKPOBEUZSUQERN-NWDGAFQWSA-N 2 0 256.394 -0.147 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H](N)CC[NH+](C)C ZINC001346332435 890271778 /nfs/dbraw/zinc/27/17/78/890271778.db2.gz IDNTUNMVPBSLPF-CQSZACIVSA-N 2 0 299.463 -0.639 20 0 CBADRP C[NH+](C)[C@H]1C[C@H]([NH2+]CCC(=O)NC(N)=O)C1(C)C ZINC001346367943 890276895 /nfs/dbraw/zinc/27/68/95/890276895.db2.gz URHCICSQEJXRCQ-IUCAKERBSA-N 2 0 256.350 -0.110 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(C[NH3+])CC(O)C3)[C@H]2C1 ZINC001346384989 890282397 /nfs/dbraw/zinc/28/23/97/890282397.db2.gz LSQHNKNGDSJEOR-CKXPHIRYSA-N 2 0 267.373 -0.457 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC001346477382 890301125 /nfs/dbraw/zinc/30/11/25/890301125.db2.gz DILIBSYXFPZIPR-QWRGUYRKSA-N 2 0 256.350 -0.647 20 0 CBADRP [NH3+]C/C=C/CNC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001346488725 890304395 /nfs/dbraw/zinc/30/43/95/890304395.db2.gz DCYRRKVHHWLASN-DUXPYHPUSA-N 2 0 283.420 -0.124 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)NC/C=C\C[NH3+] ZINC001346491645 890304585 /nfs/dbraw/zinc/30/45/85/890304585.db2.gz WVFVHBPVIXOOEI-OTDNITJGSA-N 2 0 256.350 -0.479 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC001346526249 890315718 /nfs/dbraw/zinc/31/57/18/890315718.db2.gz MICQNIKJUARYBQ-VWYCJHECSA-N 2 0 256.350 -0.871 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001346538935 890318049 /nfs/dbraw/zinc/31/80/49/890318049.db2.gz ZRMCJURVEBMBJE-OUAUKWLOSA-N 2 0 256.350 -0.647 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001346675404 890340403 /nfs/dbraw/zinc/34/04/03/890340403.db2.gz KFQXFWYAZCXXPF-JTQLQIEISA-N 2 0 258.366 -0.399 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001347060783 890398024 /nfs/dbraw/zinc/39/80/24/890398024.db2.gz ILNGVNMIKYDZOK-SSDOTTSWSA-N 2 0 268.321 -0.823 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H]1CNC(=O)C1 ZINC001347103921 890408304 /nfs/dbraw/zinc/40/83/04/890408304.db2.gz HRZPPDAYPSDNHA-CYBMUJFWSA-N 2 0 268.405 -0.308 20 0 CBADRP CC(C)([NH3+])CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001347147525 890416288 /nfs/dbraw/zinc/41/62/88/890416288.db2.gz GGLQRDKKKZPTRB-MRVPVSSYSA-N 2 0 251.334 -0.046 20 0 CBADRP C([C@@H]1C[NH2+]CCO1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001347145861 890416375 /nfs/dbraw/zinc/41/63/75/890416375.db2.gz QPAQDANGUSHEAM-KGLIPLIRSA-N 2 0 269.389 -0.371 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@H]1CCO[C@H]1C[NH3+])C(F)F ZINC001347156723 890418583 /nfs/dbraw/zinc/41/85/83/890418583.db2.gz CDIRVXKFTVPLSB-FXQIFTODSA-N 2 0 251.277 -0.551 20 0 CBADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC001347282870 890439135 /nfs/dbraw/zinc/43/91/35/890439135.db2.gz OQLLFHSQYYBGTN-SDDRHHMPSA-N 2 0 293.433 -0.390 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001348307231 890589323 /nfs/dbraw/zinc/58/93/23/890589323.db2.gz PXWIDHLJUIMEOM-GHMZBOCLSA-N 2 0 258.366 -0.792 20 0 CBADRP C[C@H](F)CC[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001448947775 913466925 /nfs/dbraw/zinc/46/69/25/913466925.db2.gz OGLBDNZMWFYSDQ-RYUDHWBXSA-N 2 0 287.379 -0.103 20 0 CBADRP [NH3+][C@H]1CCCCCN(CC(=O)N2CC[NH2+]CC2)C1 ZINC001348563561 890651280 /nfs/dbraw/zinc/65/12/80/890651280.db2.gz SBXPBPVZJLGDOQ-LBPRGKRZSA-N 2 0 254.378 -0.379 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001348573551 890654100 /nfs/dbraw/zinc/65/41/00/890654100.db2.gz JNTVHECUEGHQPD-YNEHKIRRSA-N 2 0 298.431 -0.053 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001448980980 913476741 /nfs/dbraw/zinc/47/67/41/913476741.db2.gz OIILRSMXTALDLY-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP O=C([C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001348838157 890711734 /nfs/dbraw/zinc/71/17/34/890711734.db2.gz XMLFWVBFMBAUCQ-QNWHQSFQSA-N 2 0 264.373 -0.900 20 0 CBADRP [NH3+][C@H]1CCCC[C@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC001348943505 890730976 /nfs/dbraw/zinc/73/09/76/890730976.db2.gz MNBSQGLKCRCQTJ-MNOVXSKESA-N 2 0 268.361 -0.948 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001348964539 890737566 /nfs/dbraw/zinc/73/75/66/890737566.db2.gz AOBCBMONRMYMTN-ZDUSSCGKSA-N 2 0 257.378 -0.147 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001349022614 890747878 /nfs/dbraw/zinc/74/78/78/890747878.db2.gz FHNMMFNXVZGQBU-LBPRGKRZSA-N 2 0 284.404 -0.489 20 0 CBADRP C[NH+](C)CCCC(=O)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001349025792 890750783 /nfs/dbraw/zinc/75/07/83/890750783.db2.gz UZZJNTNTMOCVFJ-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP C[NH2+]CCCN(C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001349092991 890758142 /nfs/dbraw/zinc/75/81/42/890758142.db2.gz GINSALQFXANUPC-LLVKDONJSA-N 2 0 280.376 -0.116 20 0 CBADRP COC1(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CC[NH2+]CC1 ZINC001349385872 890803047 /nfs/dbraw/zinc/80/30/47/890803047.db2.gz DNFPDMFAHIHYHW-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH2+]CCCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001349371197 890803600 /nfs/dbraw/zinc/80/36/00/890803600.db2.gz HMBZZZDPCRSEIP-UHFFFAOYSA-N 2 0 266.349 -0.458 20 0 CBADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC001349399109 890805255 /nfs/dbraw/zinc/80/52/55/890805255.db2.gz WEYUTZWQEFAGSN-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)NC/C=C\C[NH3+])CC1 ZINC001349582099 890841338 /nfs/dbraw/zinc/84/13/38/890841338.db2.gz UJJVERGXRPNYMA-IHWYPQMZSA-N 2 0 270.377 -0.089 20 0 CBADRP O=C(N1CCOC2(C[NH2+]C2)C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC001349608924 890849660 /nfs/dbraw/zinc/84/96/60/890849660.db2.gz VYWXGOZXQUVDPF-RISCZKNCSA-N 2 0 265.357 -0.281 20 0 CBADRP [NH3+]CC1(CCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001349656887 890860906 /nfs/dbraw/zinc/86/09/06/890860906.db2.gz UQFFVMDTMCTDQR-JTQLQIEISA-N 2 0 268.361 -0.900 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)C[C@@H](C[NH3+])OC)CC1 ZINC001349655294 890861229 /nfs/dbraw/zinc/86/12/29/890861229.db2.gz DQLOYYFXRNEZFE-LBPRGKRZSA-N 2 0 273.377 -0.423 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC001349979728 890917413 /nfs/dbraw/zinc/91/74/13/890917413.db2.gz KAOMAJAEBRNSCF-SDDRHHMPSA-N 2 0 284.404 -0.219 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC001349979729 890919498 /nfs/dbraw/zinc/91/94/98/890919498.db2.gz KAOMAJAEBRNSCF-SRVKXCTJSA-N 2 0 284.404 -0.219 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001350029388 890923813 /nfs/dbraw/zinc/92/38/13/890923813.db2.gz RNXMQMIDIJTTJQ-UTUOFQBUSA-N 2 0 294.399 -0.560 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC001350031942 890926267 /nfs/dbraw/zinc/92/62/67/890926267.db2.gz NCPDIJVKFYLCGD-FDYHWXHSSA-N 2 0 294.399 -0.417 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001449100728 913507351 /nfs/dbraw/zinc/50/73/51/913507351.db2.gz ZDKSLZQQICRIRG-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001350396637 890977456 /nfs/dbraw/zinc/97/74/56/890977456.db2.gz DPPGPQLHQBRRLZ-RKDXNWHRSA-N 2 0 266.349 -0.332 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)CC(N)=O)CC1 ZINC001350525572 890999619 /nfs/dbraw/zinc/99/96/19/890999619.db2.gz UKSBMQKGMNLWBC-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP C[NH2+]CCN(C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)C(C)C ZINC001350646808 891019318 /nfs/dbraw/zinc/01/93/18/891019318.db2.gz MRKBFFNTWRDJPA-QWHCGFSZSA-N 2 0 296.415 -0.395 20 0 CBADRP C[C@H](NC(C[NH3+])C[NH3+])C(=O)NCc1ccccc1 ZINC001350910962 891067757 /nfs/dbraw/zinc/06/77/57/891067757.db2.gz TXKBCTCYQCPJGQ-JTQLQIEISA-N 2 0 250.346 -0.433 20 0 CBADRP CS(=O)(=O)C[C@H](O)C[NH2+]C1CCC(C[NH3+])CC1 ZINC001350955177 891075984 /nfs/dbraw/zinc/07/59/84/891075984.db2.gz HDBWMCRJYPMFKZ-VQXHTEKXSA-N 2 0 264.391 -0.501 20 0 CBADRP CN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)CC[NH+](C)C ZINC001351509365 891145553 /nfs/dbraw/zinc/14/55/53/891145553.db2.gz GOVOCTVZNLGYKA-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001351580735 891158387 /nfs/dbraw/zinc/15/83/87/891158387.db2.gz XAXDPSAGGXRVNZ-RWMBFGLXSA-N 2 0 294.399 -0.450 20 0 CBADRP O=C(NCCCC[NH+]1CCOCC1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001352095683 891225800 /nfs/dbraw/zinc/22/58/00/891225800.db2.gz XAIHUFMSAMFFEE-RWMBFGLXSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC001352850806 891307599 /nfs/dbraw/zinc/30/75/99/891307599.db2.gz YDLKHMSCGHIIBB-RKDXNWHRSA-N 2 0 251.334 -0.094 20 0 CBADRP C[NH+]1CCN(CC[NH2+]C[C@H](O)C2(O)CCCC2)CC1 ZINC001353245158 891388535 /nfs/dbraw/zinc/38/85/35/891388535.db2.gz DPNFASARYHRVEQ-ZDUSSCGKSA-N 2 0 271.405 -0.511 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC001353285514 891391859 /nfs/dbraw/zinc/39/18/59/891391859.db2.gz NCWUUVVXZSPGMV-WCQYABFASA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2=CC[N@H+](C)CC2)CC1 ZINC001353300266 891397434 /nfs/dbraw/zinc/39/74/34/891397434.db2.gz LUFJISQPTLLTKK-OAHLLOKOSA-N 3 0 282.432 -0.554 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)NCCOCC[NH+](C)C ZINC001353389581 891420800 /nfs/dbraw/zinc/42/08/00/891420800.db2.gz LTKQHFVHSVOTRQ-GFCCVEGCSA-N 2 0 288.392 -0.806 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)NCCOCC[NH+](C)C ZINC001353389582 891421043 /nfs/dbraw/zinc/42/10/43/891421043.db2.gz LTKQHFVHSVOTRQ-LBPRGKRZSA-N 2 0 288.392 -0.806 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)N1CCNCC[NH2+]CC1 ZINC001353405850 891423622 /nfs/dbraw/zinc/42/36/22/891423622.db2.gz LLTOPOQMEQVNNW-NSHDSACASA-N 2 0 257.382 -0.859 20 0 CBADRP [NH3+]C1CC2(C1)CC(NC(=O)NC[C@@H]1C[NH2+]CCO1)C2 ZINC001353430753 891424711 /nfs/dbraw/zinc/42/47/11/891424711.db2.gz QRRCLAIFHLFCJV-FOBZMYGMSA-N 2 0 268.361 -0.456 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001353423862 891425306 /nfs/dbraw/zinc/42/53/06/891425306.db2.gz DRMRKQZIAXDZJT-CYBMUJFWSA-N 2 0 270.377 -0.240 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CCC[C@@]12CC[NH2+]C2 ZINC001353430276 891425935 /nfs/dbraw/zinc/42/59/35/891425935.db2.gz PSABMAMFUZGJOO-AAEUAGOBSA-N 2 0 268.361 -0.488 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC001353441612 891428371 /nfs/dbraw/zinc/42/83/71/891428371.db2.gz JAUOXOOOZKSAPO-WDEREUQCSA-N 2 0 256.350 -0.645 20 0 CBADRP CCO[C@@H](CNC(=O)N(CC)CC[NH3+])C[NH+](C)C ZINC001353467188 891430638 /nfs/dbraw/zinc/43/06/38/891430638.db2.gz MHSYAYYMCATTAL-NSHDSACASA-N 2 0 260.382 -0.057 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)[C@@H](O)C[NH2+]C)C1 ZINC001353496716 891436441 /nfs/dbraw/zinc/43/64/41/891436441.db2.gz UBFDMMATGMINSI-TUAOUCFPSA-N 2 0 257.378 -0.339 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC001353518641 891440395 /nfs/dbraw/zinc/44/03/95/891440395.db2.gz SCSIDPMJXMSRQD-MNOVXSKESA-N 2 0 268.361 -0.360 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001353568952 891447444 /nfs/dbraw/zinc/44/74/44/891447444.db2.gz AFIDSIDGJAENGB-DCBWTQNWSA-N 2 0 269.389 -0.114 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C2(C[NH3+])CC(O)C2)C[N@@H+]1C1CC1 ZINC001353580622 891449345 /nfs/dbraw/zinc/44/93/45/891449345.db2.gz AFUGHWICYIWTAO-DGWNVUOJSA-N 2 0 267.373 -0.172 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C2(C[NH3+])CC(O)C2)C[N@@H+]1C1CC1 ZINC001353580623 891450750 /nfs/dbraw/zinc/45/07/50/891450750.db2.gz AFUGHWICYIWTAO-LLTHYPCUSA-N 2 0 267.373 -0.172 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001353632800 891452469 /nfs/dbraw/zinc/45/24/69/891452469.db2.gz FTUFGAWVLOTYIZ-DYEKYZERSA-N 2 0 269.389 -0.195 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CCN1C ZINC001353602480 891452773 /nfs/dbraw/zinc/45/27/73/891452773.db2.gz PFMWPNGIJOHGTD-RYUDHWBXSA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@H](C[NH3+])NC(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC001353613572 891453245 /nfs/dbraw/zinc/45/32/45/891453245.db2.gz PMJDOKKQGWYRJO-WYUUTHIRSA-N 2 0 255.362 -0.003 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC001353647112 891455466 /nfs/dbraw/zinc/45/54/66/891455466.db2.gz ZTZFVKNEZQFPGC-WCQYABFASA-N 2 0 263.341 -0.301 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001353644666 891456849 /nfs/dbraw/zinc/45/68/49/891456849.db2.gz CQNOROIALOKIRF-GFCCVEGCSA-N 2 0 254.378 -0.617 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1C[NH2+]CCN1C ZINC001353727705 891466788 /nfs/dbraw/zinc/46/67/88/891466788.db2.gz LKPCOPCQQKNNRI-FRRDWIJNSA-N 2 0 268.405 -0.311 20 0 CBADRP C[NH+](C)CCOCCNC(=O)c1ccn(CCC[NH3+])n1 ZINC001353747978 891467802 /nfs/dbraw/zinc/46/78/02/891467802.db2.gz BDIKDHOUZNMZIZ-UHFFFAOYSA-N 2 0 283.376 -0.460 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001353750098 891471180 /nfs/dbraw/zinc/47/11/80/891471180.db2.gz XPAQTIMJBAOSTL-CYBMUJFWSA-N 2 0 298.431 -0.016 20 0 CBADRP C[NH+]1CCN(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001353874979 891482308 /nfs/dbraw/zinc/48/23/08/891482308.db2.gz CCBRCKOVZSODND-UHFFFAOYSA-N 2 0 266.389 -0.554 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCn2cncc2C1 ZINC001354018579 891498070 /nfs/dbraw/zinc/49/80/70/891498070.db2.gz HPZFKWXRKCVFGM-YPMHNXCESA-N 2 0 264.329 -0.320 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCC[NH2+]C1CC1 ZINC001354131683 891519645 /nfs/dbraw/zinc/51/96/45/891519645.db2.gz MMGBQYFZFICIJR-YPMHNXCESA-N 2 0 266.389 -0.367 20 0 CBADRP [NH3+]C[C@H](C(=O)NCC1(O)C[NH2+]C1)C1CCCCCC1 ZINC001354223454 891539428 /nfs/dbraw/zinc/53/94/28/891539428.db2.gz LXWINIAQHXGBTI-LBPRGKRZSA-N 2 0 269.389 -0.018 20 0 CBADRP CS(=O)(=O)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC001354238548 891544590 /nfs/dbraw/zinc/54/45/90/891544590.db2.gz XGDWYKJHRHPZDQ-GMTAPVOTSA-N 2 0 264.391 -0.501 20 0 CBADRP [NH3+]C1(CNC(=O)C[C@]2(O)CCC[NH2+]C2)CCCC1 ZINC001354273683 891554283 /nfs/dbraw/zinc/55/42/83/891554283.db2.gz QTMAOWQGEQKAPX-CYBMUJFWSA-N 2 0 255.362 -0.121 20 0 CBADRP CSCC[C@H]([NH3+])CC(=O)NC[C@H]1COCC[NH2+]1 ZINC001354409989 891577007 /nfs/dbraw/zinc/57/70/07/891577007.db2.gz KZERIACRVQZRSG-UWVGGRQHSA-N 2 0 261.391 -0.439 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001354451002 891580033 /nfs/dbraw/zinc/58/00/33/891580033.db2.gz UPUPYEZRUQSHNM-WCQYABFASA-N 2 0 255.362 -0.299 20 0 CBADRP O=C(N1CCC[C@@H]([NH2+]CCO)C1)C12CC(C1)C[NH2+]2 ZINC001354435067 891580475 /nfs/dbraw/zinc/58/04/75/891580475.db2.gz AWOMVJILWBLKFU-QWKFWESOSA-N 2 0 253.346 -0.689 20 0 CBADRP C[NH+](C)CC1(C(=O)N2NC(=O)C[C@@]23CC[NH2+]C3)CC1 ZINC001354513013 891589613 /nfs/dbraw/zinc/58/96/13/891589613.db2.gz XJCIKZIHCZCCHC-CYBMUJFWSA-N 2 0 266.345 -0.676 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001354524326 891590306 /nfs/dbraw/zinc/59/03/06/891590306.db2.gz VMEZXYCAXIGHTI-RWMBFGLXSA-N 2 0 266.389 -0.557 20 0 CBADRP O=C(CC[C@@H]1CCC[NH2+]1)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001354512680 891591079 /nfs/dbraw/zinc/59/10/79/891591079.db2.gz UVVGNNVJEIDRJQ-GWCFXTLKSA-N 2 0 266.345 -0.486 20 0 CBADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001354501158 891591148 /nfs/dbraw/zinc/59/11/48/891591148.db2.gz YYOPGPYEKVBGLX-ZANVPECISA-N 2 0 268.361 -0.255 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C[C@H]1CC[NH3+] ZINC001354719821 891611378 /nfs/dbraw/zinc/61/13/78/891611378.db2.gz KMPKQDMTTFCMCL-NMKXLXIOSA-N 2 0 267.373 -0.334 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001354733411 891612077 /nfs/dbraw/zinc/61/20/77/891612077.db2.gz CSHUNMUKDMIHMQ-RTXFEEFZSA-N 2 0 266.389 -0.239 20 0 CBADRP C[C@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001354733412 891613145 /nfs/dbraw/zinc/61/31/45/891613145.db2.gz CSHUNMUKDMIHMQ-WCFLWFBJSA-N 2 0 266.389 -0.239 20 0 CBADRP COCC[NH2+]CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001354780401 891615086 /nfs/dbraw/zinc/61/50/86/891615086.db2.gz BXUVBNDPGRGWMZ-HTQZYQBOSA-N 2 0 269.267 -0.430 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001354780456 891616292 /nfs/dbraw/zinc/61/62/92/891616292.db2.gz CEJPIBHBPRGKQR-RNJXMRFFSA-N 2 0 269.267 -0.302 20 0 CBADRP CC1(C)CN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C[C@@H]1[NH3+] ZINC001354803565 891617912 /nfs/dbraw/zinc/61/79/12/891617912.db2.gz CVCBJRDEGSYXAP-SUNKGSAMSA-N 2 0 267.373 -0.192 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001449382254 913575739 /nfs/dbraw/zinc/57/57/39/913575739.db2.gz CGIICCQOOWEMDN-VOMCLLRMSA-N 2 0 284.404 -0.348 20 0 CBADRP COCC[NH2+]CC(=O)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001354893291 891628554 /nfs/dbraw/zinc/62/85/54/891628554.db2.gz KOWWCSCQFONDRB-AWEZNQCLSA-N 2 0 293.371 -0.781 20 0 CBADRP O=C(NCCCCCN1CC[NH2+]CC1)[C@]1(F)CC[NH2+]C1 ZINC001354977099 891634626 /nfs/dbraw/zinc/63/46/26/891634626.db2.gz ANFSDSGVLNTRLV-AWEZNQCLSA-N 2 0 286.395 -0.120 20 0 CBADRP O=C(c1ccc2c(c1)C[NH2+]CC2)N1CCNCC[NH2+]CC1 ZINC001355015789 891637790 /nfs/dbraw/zinc/63/77/90/891637790.db2.gz JIRUZLOLMWSRQN-UHFFFAOYSA-N 2 0 288.395 -0.033 20 0 CBADRP CC1([NH+]2CCC2)CCC(NC(=O)[C@H]([NH3+])CO)CC1 ZINC001355005886 891638069 /nfs/dbraw/zinc/63/80/69/891638069.db2.gz YGNRDUHKWWYGJB-QWKFWESOSA-N 2 0 255.362 -0.171 20 0 CBADRP C[C@H]1CN(C(=O)CN2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC001355052646 891639723 /nfs/dbraw/zinc/63/97/23/891639723.db2.gz ASDATOOMVCYXLT-NWDGAFQWSA-N 2 0 254.378 -0.665 20 0 CBADRP [NH3+][C@H](C(=O)N1CCC[C@@]([NH3+])(CO)C1)c1ccccc1 ZINC001355042780 891639784 /nfs/dbraw/zinc/63/97/84/891639784.db2.gz LFMJJSUQDICQDD-JSGCOSHPSA-N 2 0 263.341 -0.001 20 0 CBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001355086574 891644975 /nfs/dbraw/zinc/64/49/75/891644975.db2.gz OEZDQZYDNIRURO-IRCOFANPSA-N 2 0 253.346 -0.582 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)=NO1 ZINC001355086437 891645110 /nfs/dbraw/zinc/64/51/10/891645110.db2.gz HQERBMTVKHBCKA-AEJSXWLSSA-N 2 0 252.318 -0.842 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001355654194 891697516 /nfs/dbraw/zinc/69/75/16/891697516.db2.gz ZZHJSEVXJHNUFC-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC001355652299 891697998 /nfs/dbraw/zinc/69/79/98/891697998.db2.gz RDDJJYGGCHUJQA-DCAQKATOSA-N 2 0 259.325 -0.619 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC001355652302 891698674 /nfs/dbraw/zinc/69/86/74/891698674.db2.gz RDDJJYGGCHUJQA-VWYCJHECSA-N 2 0 259.325 -0.619 20 0 CBADRP O=C(Cc1ncc[nH]1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001355903226 891714248 /nfs/dbraw/zinc/71/42/48/891714248.db2.gz FILKYQKGBISRFA-UHFFFAOYSA-N 2 0 264.329 -0.068 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)C1C[NH2+]C1 ZINC001356049952 891723329 /nfs/dbraw/zinc/72/33/29/891723329.db2.gz QICLDAUSKYSNOC-GXSJLCMTSA-N 2 0 263.345 -0.042 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001356092366 891725155 /nfs/dbraw/zinc/72/51/55/891725155.db2.gz RXGLQQHONQQVIN-AVGNSLFASA-N 2 0 296.415 -0.408 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC[C@H](O)C2CC2)CC1 ZINC001356113671 891731711 /nfs/dbraw/zinc/73/17/11/891731711.db2.gz NHUWNOAEMBXOSZ-KGLIPLIRSA-N 2 0 271.405 -0.655 20 0 CBADRP [NH3+]CCOCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001356226744 891741181 /nfs/dbraw/zinc/74/11/81/891741181.db2.gz BXYAXSJLRVZGOM-NEPJUHHUSA-N 2 0 271.361 -0.981 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)[C@@H]2C1 ZINC001356402678 891754017 /nfs/dbraw/zinc/75/40/17/891754017.db2.gz SVPNAZHGEWDLGR-ZRUFSTJUSA-N 2 0 255.362 -0.459 20 0 CBADRP C[S@@](=O)C1(C(=O)N[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]CC1 ZINC001356433263 891756358 /nfs/dbraw/zinc/75/63/58/891756358.db2.gz KADZDZJCTYLYEX-KSRUKNBBSA-N 2 0 259.375 -0.907 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]([NH3+])C2)cn1 ZINC001356432968 891757156 /nfs/dbraw/zinc/75/71/56/891757156.db2.gz GWBXYOZELJIDSR-XYPYZODXSA-N 2 0 251.334 -0.336 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001356438512 891758964 /nfs/dbraw/zinc/75/89/64/891758964.db2.gz PPDPVMREUWOLFL-ZDEQEGDKSA-N 2 0 294.399 -0.417 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001356452770 891762810 /nfs/dbraw/zinc/76/28/10/891762810.db2.gz BTEQKPIDJIJUOJ-VXGBXAGGSA-N 2 0 256.394 -0.229 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)N[C@H]1C[NH2+]CC12CC2 ZINC001356473442 891769292 /nfs/dbraw/zinc/76/92/92/891769292.db2.gz VANCIZOOPUZPAX-ZJUUUORDSA-N 2 0 255.387 -0.050 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001356498250 891770088 /nfs/dbraw/zinc/77/00/88/891770088.db2.gz NBHUYECYRBAEFV-XYPYZODXSA-N 2 0 270.377 -0.750 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001356498984 891774094 /nfs/dbraw/zinc/77/40/94/891774094.db2.gz RUOAXRDPGHMMGV-LBPRGKRZSA-N 2 0 267.373 -0.129 20 0 CBADRP C[C@@]1(C(=O)NCc2ccccc2C[NH3+])C[C@H](O)C[NH2+]1 ZINC001356499225 891774318 /nfs/dbraw/zinc/77/43/18/891774318.db2.gz NLZIHULYALHBKK-JSGCOSHPSA-N 2 0 263.341 -0.126 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC001356631210 891783977 /nfs/dbraw/zinc/78/39/77/891783977.db2.gz VDNCXVMOJQKKHE-BJDJZHNGSA-N 2 0 257.378 -0.211 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)CC[C@H]1[NH3+] ZINC001356626572 891784482 /nfs/dbraw/zinc/78/44/82/891784482.db2.gz DMTRZSUFNXIGKY-DGCLKSJQSA-N 2 0 269.389 -0.114 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCC(CO)CC1 ZINC001356631932 891785861 /nfs/dbraw/zinc/78/58/61/891785861.db2.gz PXSFZAISAHHUPN-ZDUSSCGKSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O)C1CC1 ZINC001357367475 891874448 /nfs/dbraw/zinc/87/44/48/891874448.db2.gz MPFFDMNCDSFTPU-CHWSQXEVSA-N 2 0 296.415 -0.360 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)C1CC1 ZINC001357367867 891875763 /nfs/dbraw/zinc/87/57/63/891875763.db2.gz MPFFDMNCDSFTPU-STQMWFEESA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H](CNC(=O)CNCC[NH3+])[NH+]1CCC(C)CC1 ZINC001357384896 891881143 /nfs/dbraw/zinc/88/11/43/891881143.db2.gz QGWWNUKETRXYNB-LBPRGKRZSA-N 2 0 256.394 -0.229 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC001357405474 891885131 /nfs/dbraw/zinc/88/51/31/891885131.db2.gz RTUKRDWFYDBRBT-WCQYABFASA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001357429226 891888546 /nfs/dbraw/zinc/88/85/46/891888546.db2.gz YBSCJYALATWFNV-XSRFYTQQSA-N 2 0 255.362 -0.456 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001357463161 891896599 /nfs/dbraw/zinc/89/65/99/891896599.db2.gz KHMUFZGYVRFJLS-TUAOUCFPSA-N 2 0 252.362 -0.913 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC001357465429 891897957 /nfs/dbraw/zinc/89/79/57/891897957.db2.gz ZTTVWRQEDAMBRN-WOPDTQHZSA-N 2 0 257.378 -0.210 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC001357462591 891898683 /nfs/dbraw/zinc/89/86/83/891898683.db2.gz GHNUVBDKXXOCBW-PHIMTYICSA-N 2 0 263.345 -0.477 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC001357465426 891899004 /nfs/dbraw/zinc/89/90/04/891899004.db2.gz ZTTVWRQEDAMBRN-SRVKXCTJSA-N 2 0 257.378 -0.210 20 0 CBADRP CN(C(=O)[C@@H]1CCCN(CC[NH3+])C1=O)C1(C[NH3+])CCC1 ZINC001357473356 891901998 /nfs/dbraw/zinc/90/19/98/891901998.db2.gz FALFSIJJXSMUAU-NSHDSACASA-N 2 0 282.388 -0.477 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)C1=CCC[NH2+]CC1 ZINC001357486323 891903738 /nfs/dbraw/zinc/90/37/38/891903738.db2.gz LWFCGTNGSMULFE-GFCCVEGCSA-N 2 0 253.346 -0.209 20 0 CBADRP C[C@]1(NC(=O)NCCN2CCC([NH3+])CC2)CC[NH2+]C1 ZINC001357581595 891918006 /nfs/dbraw/zinc/91/80/06/891918006.db2.gz HMJSGEUMAXZKQY-ZDUSSCGKSA-N 2 0 269.393 -0.539 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)C2=CCC[NH2+]CC2)CCCO1 ZINC001357619238 891919632 /nfs/dbraw/zinc/91/96/32/891919632.db2.gz MDPGQHKFHPGRDD-LBPRGKRZSA-N 2 0 253.346 -0.128 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)C2=CCC[NH2+]CC2)CCCO1 ZINC001357619237 891919927 /nfs/dbraw/zinc/91/99/27/891919927.db2.gz MDPGQHKFHPGRDD-GFCCVEGCSA-N 2 0 253.346 -0.128 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001357661488 891928335 /nfs/dbraw/zinc/92/83/35/891928335.db2.gz WBEWADADISFAGA-RKDXNWHRSA-N 2 0 261.391 -0.704 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1[NH2+]CC12CCOCC2 ZINC001357735801 891934997 /nfs/dbraw/zinc/93/49/97/891934997.db2.gz LPUNDKMLXDITEK-CVZZAPKMSA-N 2 0 265.357 -0.377 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCC1(C[NH3+])CC1 ZINC001357802260 891936214 /nfs/dbraw/zinc/93/62/14/891936214.db2.gz ZHVJIVAIYLLONO-VXGBXAGGSA-N 2 0 266.389 -0.380 20 0 CBADRP CC[NH+](CC)CCSCC(=O)NC[C@@H](O)C[NH3+] ZINC001357864763 891939160 /nfs/dbraw/zinc/93/91/60/891939160.db2.gz KOWVRSHYCZFYFK-JTQLQIEISA-N 2 0 263.407 -0.503 20 0 CBADRP [NH3+]C[C@H](O)CNC(=O)c1cccc2c1OCC[NH2+]C2 ZINC001357865135 891939684 /nfs/dbraw/zinc/93/96/84/891939684.db2.gz NZHMKPGPHHIOMQ-JTQLQIEISA-N 2 0 265.313 -0.782 20 0 CBADRP C[NH2+]CCOc1ccccc1C(=O)NC[C@H](O)C[NH3+] ZINC001357861470 891940302 /nfs/dbraw/zinc/94/03/02/891940302.db2.gz PGTVSKYOCABOFE-SNVBAGLBSA-N 2 0 267.329 -0.666 20 0 CBADRP C[C@@H]([NH3+])CONC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC001357872857 891942387 /nfs/dbraw/zinc/94/23/87/891942387.db2.gz GNKYHCRCXNDUHV-SNVBAGLBSA-N 2 0 279.344 -0.500 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C1=O ZINC001357908935 891942525 /nfs/dbraw/zinc/94/25/25/891942525.db2.gz AOZFNSOHIFWWJE-XUJVJEKNSA-N 2 0 294.399 -0.477 20 0 CBADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001357946123 891946336 /nfs/dbraw/zinc/94/63/36/891946336.db2.gz UMUOUXZRPONNRG-GHMZBOCLSA-N 2 0 257.378 -0.067 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001357944415 891947130 /nfs/dbraw/zinc/94/71/30/891947130.db2.gz ISCCPUUEXMQIKH-YPMHNXCESA-N 2 0 271.361 -0.954 20 0 CBADRP [NH3+][C@H](Cc1ccccn1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001357937516 891947929 /nfs/dbraw/zinc/94/79/29/891947929.db2.gz CSSBKJFIWRIIPE-VXGBXAGGSA-N 2 0 264.329 -0.944 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)CCC12CC(C1)C[NH2+]2 ZINC001357967233 891949369 /nfs/dbraw/zinc/94/93/69/891949369.db2.gz UNABXDZPYVHLNL-QWKFWESOSA-N 2 0 255.362 -0.443 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001357967068 891950943 /nfs/dbraw/zinc/95/09/43/891950943.db2.gz PEEUKPVHSNNLFC-RYUDHWBXSA-N 2 0 257.378 -0.102 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001358000411 891958330 /nfs/dbraw/zinc/95/83/30/891958330.db2.gz LUPSXBRDYKWEIM-YRGRVCCFSA-N 2 0 267.373 -0.156 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCCC[C@@H]1C[NH2+]C ZINC001358046262 891960733 /nfs/dbraw/zinc/96/07/33/891960733.db2.gz ZTQQTYOYRZWAMJ-UTUOFQBUSA-N 2 0 257.378 -0.197 20 0 CBADRP C[N@H+](CC(=O)N1CC[NH2+]C[C@@H]1CO)CC(C)(C)C ZINC001358028507 891961151 /nfs/dbraw/zinc/96/11/51/891961151.db2.gz NXLJSTSVTAKAJM-LLVKDONJSA-N 2 0 257.378 -0.243 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)C[C@H](C)[NH3+])C2 ZINC001358083545 891968535 /nfs/dbraw/zinc/96/85/35/891968535.db2.gz QPZLRLYRGINXPB-XHSYRHOGSA-N 2 0 269.345 -0.537 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001358095098 891970890 /nfs/dbraw/zinc/97/08/90/891970890.db2.gz YCSVBLUTPBGIEN-WRWGMCAJSA-N 2 0 257.378 -0.354 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC001358118238 891971820 /nfs/dbraw/zinc/97/18/20/891971820.db2.gz AZJQUKNRKKASLB-GFCCVEGCSA-N 2 0 254.378 -0.332 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC001358120117 891975184 /nfs/dbraw/zinc/97/51/84/891975184.db2.gz VIUYFJIOKFTIMX-LBPRGKRZSA-N 2 0 258.341 -0.773 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001358239079 891984083 /nfs/dbraw/zinc/98/40/83/891984083.db2.gz WOIOPRROCBLYMV-VXGBXAGGSA-N 2 0 254.378 -0.475 20 0 CBADRP [NH3+]C1(C(=O)N2CCC[C@@]([NH3+])(CO)C2)CCCCC1 ZINC001358250363 891985011 /nfs/dbraw/zinc/98/50/11/891985011.db2.gz PGKWHUKOSDTCMN-LBPRGKRZSA-N 2 0 255.362 -0.040 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001358249014 891987052 /nfs/dbraw/zinc/98/70/52/891987052.db2.gz BLCHUNHJSSEGOA-UPJWGTAASA-N 2 0 266.389 -0.428 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)=NO1 ZINC001358317861 891994553 /nfs/dbraw/zinc/99/45/53/891994553.db2.gz MCAJKHUQNOJMRO-GXFFZTMASA-N 2 0 266.345 -0.165 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2C[C@H]3CC[NH+](C)[C@H]3C2)C1 ZINC001449926665 913627861 /nfs/dbraw/zinc/62/78/61/913627861.db2.gz RKQXGJIWKVYYNX-OCCSQVGLSA-N 2 0 280.416 -0.358 20 0 CBADRP C[C@H](CC[NH+](C)C)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001361832218 892268130 /nfs/dbraw/zinc/26/81/30/892268130.db2.gz HGSFJNWDIIZMIM-OLZOCXBDSA-N 2 0 270.421 -0.064 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001362317322 892590898 /nfs/dbraw/zinc/59/08/98/892590898.db2.gz CTTHNEQLUHCEJI-DGCLKSJQSA-N 2 0 273.352 -0.397 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)C[C@@H]21 ZINC001362465752 892701389 /nfs/dbraw/zinc/70/13/89/892701389.db2.gz VRNRDJDVNNXPJU-XBFCOCLRSA-N 2 0 279.384 -0.130 20 0 CBADRP CCC[N@H+](C)CC(=O)NC1CN(C(=O)CC[NH+](C)CC)C1 ZINC001450443247 913695725 /nfs/dbraw/zinc/69/57/25/913695725.db2.gz UFMFNKGATJAIKV-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@H](NC(N)=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001362778469 893021604 /nfs/dbraw/zinc/02/16/04/893021604.db2.gz BOHVBWTYXNFZHH-QJPTWQEYSA-N 2 0 299.419 -0.759 20 0 CBADRP C[N@H+](CC(=O)N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CCC[C@H]1O ZINC001363375263 893622987 /nfs/dbraw/zinc/62/29/87/893622987.db2.gz ZEDJGBDIRRNLBK-BFHYXJOUSA-N 2 0 299.415 -0.596 20 0 CBADRP C[NH+]1CCC(C[NH2+]CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001363611102 893846526 /nfs/dbraw/zinc/84/65/26/893846526.db2.gz UTCPNYYNYBYQGW-UHFFFAOYSA-N 2 0 290.429 -0.143 20 0 CBADRP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](CO)[C@H](O)C2)CC1 ZINC001364418088 894404057 /nfs/dbraw/zinc/40/40/57/894404057.db2.gz OOEVLTFWROZEQD-HUUCEWRRSA-N 2 0 285.432 -0.313 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)N1CCN(C)CC1 ZINC001364767029 894607087 /nfs/dbraw/zinc/60/70/87/894607087.db2.gz LOHBGQOXCNJVCY-GFCCVEGCSA-N 2 0 292.449 -0.202 20 0 CBADRP C[NH+]1CCN(C2CC[NH+](C[C@@H](O)C(C)(C)O)CC2)CC1 ZINC001364783834 894615142 /nfs/dbraw/zinc/61/51/42/894615142.db2.gz YXVGGXJWTZFTKE-CQSZACIVSA-N 2 0 285.432 -0.170 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001365832252 895130782 /nfs/dbraw/zinc/13/07/82/895130782.db2.gz XHQMSXQBVTZUEC-FRRDWIJNSA-N 2 0 296.415 -0.301 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001365849331 895132067 /nfs/dbraw/zinc/13/20/67/895132067.db2.gz WDAPDYAVGCFWAD-AVGNSLFASA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001365850405 895132368 /nfs/dbraw/zinc/13/23/68/895132368.db2.gz XXJDSVZFNOHGPO-LPWJVIDDSA-N 2 0 296.415 -0.301 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001365993121 895167221 /nfs/dbraw/zinc/16/72/21/895167221.db2.gz VHADYKGRERDCDJ-NEPJUHHUSA-N 2 0 275.368 -0.151 20 0 CBADRP C[C@H]([NH2+][C@@H](CNC(=O)Cc1ncc[nH]1)C1CC1)C(N)=O ZINC001366065918 895182805 /nfs/dbraw/zinc/18/28/05/895182805.db2.gz WUDMWGYUVJGINK-WPRPVWTQSA-N 2 0 279.344 -0.690 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001366082992 895184382 /nfs/dbraw/zinc/18/43/82/895184382.db2.gz REFARDHNQDJERP-OLZOCXBDSA-N 2 0 298.431 -0.018 20 0 CBADRP CC[C@H]([NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1)C(N)=O ZINC001366081740 895184857 /nfs/dbraw/zinc/18/48/57/895184857.db2.gz XQBHOBDWVXSSTN-STQMWFEESA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001366082994 895185554 /nfs/dbraw/zinc/18/55/54/895185554.db2.gz REFARDHNQDJERP-STQMWFEESA-N 2 0 298.431 -0.018 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001366082990 895186085 /nfs/dbraw/zinc/18/60/85/895186085.db2.gz REFARDHNQDJERP-CHWSQXEVSA-N 2 0 298.431 -0.018 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001366097347 895188397 /nfs/dbraw/zinc/18/83/97/895188397.db2.gz GVMMOZGLSAARPR-IHRRRGAJSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](O)COC)C1)[NH+](C)C ZINC001366123869 895196704 /nfs/dbraw/zinc/19/67/04/895196704.db2.gz DCHOLMIVMRJYEW-LPWJVIDDSA-N 2 0 287.404 -0.429 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](O)COC)C1)[NH+](C)C ZINC001366115550 895198228 /nfs/dbraw/zinc/19/82/28/895198228.db2.gz DCHOLMIVMRJYEW-FDYHWXHSSA-N 2 0 287.404 -0.429 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C1 ZINC001366130697 895200193 /nfs/dbraw/zinc/20/01/93/895200193.db2.gz JPWCNJFBVMQUNU-HAQNSBGRSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O)[NH+](C)C ZINC001366137279 895201353 /nfs/dbraw/zinc/20/13/53/895201353.db2.gz NSAGNHBITAWWHU-WVMKXHBISA-N 2 0 296.415 -0.077 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)[NH+](C)C ZINC001366125467 895202994 /nfs/dbraw/zinc/20/29/94/895202994.db2.gz UCXUXUHMRBDHOY-ZDEQEGDKSA-N 2 0 296.415 -0.302 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nncn2C)C1)[NH+](C)C ZINC001366172836 895212279 /nfs/dbraw/zinc/21/22/79/895212279.db2.gz QYOKURRUOGKJTD-TUAOUCFPSA-N 2 0 294.403 -0.108 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001366165143 895214501 /nfs/dbraw/zinc/21/45/01/895214501.db2.gz BDBZITWUONXDDC-TXEJJXNPSA-N 2 0 294.403 -0.108 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001366183909 895216637 /nfs/dbraw/zinc/21/66/37/895216637.db2.gz FYUOSEQPVKWUTO-CYBMUJFWSA-N 2 0 296.415 -0.344 20 0 CBADRP NC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001366218858 895223421 /nfs/dbraw/zinc/22/34/21/895223421.db2.gz KEXZOJKTLIGBNG-LBPRGKRZSA-N 2 0 282.388 -0.462 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001366288247 895262998 /nfs/dbraw/zinc/26/29/98/895262998.db2.gz PMZKJFNHSGUSDR-NEPJUHHUSA-N 2 0 287.404 -0.428 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CCC[NH+](C)C ZINC001366320309 895276412 /nfs/dbraw/zinc/27/64/12/895276412.db2.gz BMCBMLSGVUYRLX-MNOVXSKESA-N 2 0 272.393 -0.443 20 0 CBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)NC1CC1 ZINC001366338181 895283570 /nfs/dbraw/zinc/28/35/70/895283570.db2.gz AQYYOPWPRXZITL-NSHDSACASA-N 2 0 294.399 -0.545 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001366383001 895303266 /nfs/dbraw/zinc/30/32/66/895303266.db2.gz YURGNVBOSSFAGZ-GXTWGEPZSA-N 2 0 299.415 -0.332 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001366385498 895305437 /nfs/dbraw/zinc/30/54/37/895305437.db2.gz MDGBIIXRIWTKBG-ZDUSSCGKSA-N 2 0 296.415 -0.393 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001366396819 895308460 /nfs/dbraw/zinc/30/84/60/895308460.db2.gz XMRCNYCWMRGZQW-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001366408370 895313021 /nfs/dbraw/zinc/31/30/21/895313021.db2.gz XTOXUPDPOQTBFR-GFCCVEGCSA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@H]([NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001366405089 895314067 /nfs/dbraw/zinc/31/40/67/895314067.db2.gz UAASTWYZUHPSJN-NWDGAFQWSA-N 2 0 296.415 -0.360 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001366411981 895316777 /nfs/dbraw/zinc/31/67/77/895316777.db2.gz SCFJKZSFNCFXIP-NSHDSACASA-N 2 0 270.377 -0.748 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001366430870 895320330 /nfs/dbraw/zinc/32/03/30/895320330.db2.gz PFLPHXASVNFEGD-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP C[N@H+](CCNC(=O)C[NH+]1CCCC1)CCNC(=O)C1CC1 ZINC001366589426 895403098 /nfs/dbraw/zinc/40/30/98/895403098.db2.gz YNZPPWPVSLCDHQ-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@@H](O)COC ZINC001366639147 895418891 /nfs/dbraw/zinc/41/88/91/895418891.db2.gz FHJLGKHBMRGIKB-QWHCGFSZSA-N 2 0 287.404 -0.617 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001366768676 895453530 /nfs/dbraw/zinc/45/35/30/895453530.db2.gz HERAYSVQGBTKSF-GMTAPVOTSA-N 2 0 270.377 -0.752 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001366768678 895454434 /nfs/dbraw/zinc/45/44/34/895454434.db2.gz HERAYSVQGBTKSF-HBNTYKKESA-N 2 0 270.377 -0.752 20 0 CBADRP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001366779045 895461290 /nfs/dbraw/zinc/46/12/90/895461290.db2.gz QRVVWMXKYCZMMJ-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001366871684 895472843 /nfs/dbraw/zinc/47/28/43/895472843.db2.gz OZWDPOVGNPYPAO-NEPJUHHUSA-N 2 0 293.371 -0.463 20 0 CBADRP CNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001366873163 895473560 /nfs/dbraw/zinc/47/35/60/895473560.db2.gz QXBHTIRLGSPZLE-OLZOCXBDSA-N 2 0 296.415 -0.536 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001366907043 895479790 /nfs/dbraw/zinc/47/97/90/895479790.db2.gz GEJKIWLFCAFERZ-MELADBBJSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@@H](O)CN1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001366937714 895496188 /nfs/dbraw/zinc/49/61/88/895496188.db2.gz APHAAJZSPMKMQQ-YPMHNXCESA-N 2 0 285.388 -0.864 20 0 CBADRP COC[C@H](O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001366970616 895512611 /nfs/dbraw/zinc/51/26/11/895512611.db2.gz DOLXYDROGISXKB-CHWSQXEVSA-N 2 0 285.388 -0.864 20 0 CBADRP CC[C@H](C(=O)NC[C@H](CC)[NH2+]CC(=O)NC)[NH+](C)C ZINC001367131695 895573569 /nfs/dbraw/zinc/57/35/69/895573569.db2.gz JWIKHZVZAMBRQS-WDEREUQCSA-N 2 0 272.393 -0.443 20 0 CBADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001367138210 895575883 /nfs/dbraw/zinc/57/58/83/895575883.db2.gz HOLXQXUWVTUAPP-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001367220756 895585548 /nfs/dbraw/zinc/58/55/48/895585548.db2.gz NQUSTHIYRMZZEI-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001367222046 895586568 /nfs/dbraw/zinc/58/65/68/895586568.db2.gz UGHQXAPUTATWNN-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+][C@@H](C)C(N)=O ZINC001367238843 895591861 /nfs/dbraw/zinc/59/18/61/895591861.db2.gz COCSMBUWESHVDG-QWRGUYRKSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001367238840 895592322 /nfs/dbraw/zinc/59/23/22/895592322.db2.gz COCSMBUWESHVDG-GHMZBOCLSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H](C)c1nnnn1C ZINC001367267905 895600124 /nfs/dbraw/zinc/60/01/24/895600124.db2.gz FWMNQNQICGJRKU-QWRGUYRKSA-N 2 0 297.407 -0.435 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367280513 895601973 /nfs/dbraw/zinc/60/19/73/895601973.db2.gz AIYLUISJXJLLKZ-CHWSQXEVSA-N 2 0 298.431 -0.195 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001367281772 895602125 /nfs/dbraw/zinc/60/21/25/895602125.db2.gz AMQIPHLXOGNACZ-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+][C@@H]1CCN(C)C1=O ZINC001367286020 895606107 /nfs/dbraw/zinc/60/61/07/895606107.db2.gz HMJIFSGRXCEVBQ-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001367294419 895608825 /nfs/dbraw/zinc/60/88/25/895608825.db2.gz RTXPQCHSWCYVDN-GHMZBOCLSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001367365547 895625461 /nfs/dbraw/zinc/62/54/61/895625461.db2.gz ZCGZBRYYBWZOLH-YPMHNXCESA-N 2 0 294.403 -0.154 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001367414221 895633094 /nfs/dbraw/zinc/63/30/94/895633094.db2.gz MOZYZGNMZAOEJV-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(N)=O ZINC001367481988 895642050 /nfs/dbraw/zinc/64/20/50/895642050.db2.gz QPSWETDCGSBGKB-LLVKDONJSA-N 2 0 284.404 -0.456 20 0 CBADRP CC(C)[C@@H](CNC(=O)Cc1c[nH]cn1)[NH2+][C@@H](C)C(N)=O ZINC001367488161 895642169 /nfs/dbraw/zinc/64/21/69/895642169.db2.gz WWMUTLAJUGAXCL-GXSJLCMTSA-N 2 0 281.360 -0.444 20 0 CBADRP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N(C)C ZINC001367485804 895642446 /nfs/dbraw/zinc/64/24/46/895642446.db2.gz XZQHXLCLTLHLIT-LBPRGKRZSA-N 2 0 286.420 -0.243 20 0 CBADRP Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001367588593 895688743 /nfs/dbraw/zinc/68/87/43/895688743.db2.gz XTDNZUVMHHFCRU-VXGBXAGGSA-N 2 0 295.387 -0.919 20 0 CBADRP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnoc1C)[NH+](C)C ZINC001367622371 895709445 /nfs/dbraw/zinc/70/94/45/895709445.db2.gz MSJYWUYVMZSRNN-CHWSQXEVSA-N 2 0 298.387 -0.110 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001367625267 895711966 /nfs/dbraw/zinc/71/19/66/895711966.db2.gz DPVCBYMYXYZGQC-OLZOCXBDSA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@H](CC[NH2+][C@H]1CCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001367632338 895718791 /nfs/dbraw/zinc/71/87/91/895718791.db2.gz BERUOJPIYPVDSS-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001367646009 895722663 /nfs/dbraw/zinc/72/26/63/895722663.db2.gz YNZCHCMMIIQPSO-NWDGAFQWSA-N 2 0 286.420 -0.055 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)C1(C[NH+](C)C)CC1 ZINC001367649750 895726517 /nfs/dbraw/zinc/72/65/17/895726517.db2.gz SEWAYHBKGJCKJK-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001367706800 895759502 /nfs/dbraw/zinc/75/95/02/895759502.db2.gz SMQBKZUTKNATMI-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001367706013 895761014 /nfs/dbraw/zinc/76/10/14/895761014.db2.gz LPZJAOAVPRFBLE-GHMZBOCLSA-N 2 0 282.388 -0.560 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367726028 895771414 /nfs/dbraw/zinc/77/14/14/895771414.db2.gz UDHIZCWVAHASRD-SDDRHHMPSA-N 2 0 273.377 -0.818 20 0 CBADRP CC[C@H]([NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001367739479 895779314 /nfs/dbraw/zinc/77/93/14/895779314.db2.gz BSZBGTDHONNRAH-RYUDHWBXSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C)C(=O)NC1CC1 ZINC001367750881 895784225 /nfs/dbraw/zinc/78/42/25/895784225.db2.gz UPQLFUJWIWRAQN-DMDPSCGWSA-N 2 0 296.415 -0.158 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C ZINC001367742344 895786398 /nfs/dbraw/zinc/78/63/98/895786398.db2.gz XOQPWLUPQLWNAM-SDDRHHMPSA-N 2 0 284.404 -0.348 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC)[NH+](C)C ZINC001367758593 895790634 /nfs/dbraw/zinc/79/06/34/895790634.db2.gz YGDMAIDXUCTYJL-AXFHLTTASA-N 2 0 272.393 -0.445 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C[NH+]1CCC(C)CC1 ZINC001367764523 895796483 /nfs/dbraw/zinc/79/64/83/895796483.db2.gz VXWRDGIAAKYQFI-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001367765555 895798896 /nfs/dbraw/zinc/79/88/96/895798896.db2.gz CDZYKDAYZOGIGR-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367770530 895801004 /nfs/dbraw/zinc/80/10/04/895801004.db2.gz CVZANOHFJFVYDT-WDEREUQCSA-N 2 0 270.377 -0.879 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001367959834 895867256 /nfs/dbraw/zinc/86/72/56/895867256.db2.gz BFLPXVXEYHIUDC-NEPJUHHUSA-N 2 0 273.377 -0.864 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001367962228 895867657 /nfs/dbraw/zinc/86/76/57/895867657.db2.gz RDNIKBOAEWVWTM-QWHCGFSZSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001367959837 895869693 /nfs/dbraw/zinc/86/96/93/895869693.db2.gz BFLPXVXEYHIUDC-RYUDHWBXSA-N 2 0 273.377 -0.864 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001368004646 895889102 /nfs/dbraw/zinc/88/91/02/895889102.db2.gz ARRJVZLCVZVUFE-GFCCVEGCSA-N 2 0 296.415 -0.170 20 0 CBADRP CC(C)NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001368035598 895895135 /nfs/dbraw/zinc/89/51/35/895895135.db2.gz ODZVVYXZROFFEF-LBPRGKRZSA-N 2 0 296.415 -0.299 20 0 CBADRP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001368037294 895897365 /nfs/dbraw/zinc/89/73/65/895897365.db2.gz VFRRBXLKBNAYRX-NWDGAFQWSA-N 2 0 285.388 -0.816 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCCO)C1 ZINC001368244174 895937583 /nfs/dbraw/zinc/93/75/83/895937583.db2.gz IGIOXEPGUXMPEK-TZMCWYRMSA-N 2 0 285.388 -0.984 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001368407479 896005053 /nfs/dbraw/zinc/00/50/53/896005053.db2.gz VJXUZOWDQSYVCY-MGPQQGTHSA-N 2 0 299.415 -0.379 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001368536725 896031770 /nfs/dbraw/zinc/03/17/70/896031770.db2.gz MYZXMVODZXHSHG-WUHRBBMRSA-N 2 0 296.415 -0.443 20 0 CBADRP CN(CCC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCCC[NH+]1C ZINC001368549512 896035703 /nfs/dbraw/zinc/03/57/03/896035703.db2.gz QLZVUKDOBHYFJO-LBPRGKRZSA-N 2 0 284.404 -0.264 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001368579989 896040605 /nfs/dbraw/zinc/04/06/05/896040605.db2.gz MECQKALQFGPPAL-IJLUTSLNSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001368580932 896040621 /nfs/dbraw/zinc/04/06/21/896040621.db2.gz PFWQGUXEDXUFRW-ZDEQEGDKSA-N 2 0 298.431 -0.069 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC)C1)[NH+](C)C ZINC001368594868 896041926 /nfs/dbraw/zinc/04/19/26/896041926.db2.gz XJXBLMVFJSNEPA-CYDGBPFRSA-N 2 0 298.431 -0.055 20 0 CBADRP CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001368612923 896046060 /nfs/dbraw/zinc/04/60/60/896046060.db2.gz LYBUDAHGSVCNSU-ZFWWWQNUSA-N 2 0 299.415 -0.330 20 0 CBADRP C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001368679931 896057824 /nfs/dbraw/zinc/05/78/24/896057824.db2.gz ZFAMLLHMSNTQOE-STQMWFEESA-N 2 0 299.415 -0.596 20 0 CBADRP C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001368679928 896060254 /nfs/dbraw/zinc/06/02/54/896060254.db2.gz ZFAMLLHMSNTQOE-QWHCGFSZSA-N 2 0 299.415 -0.596 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001368730379 896070636 /nfs/dbraw/zinc/07/06/36/896070636.db2.gz RCJILWMVOFKRNX-QJPTWQEYSA-N 2 0 284.404 -0.301 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001368784816 896079266 /nfs/dbraw/zinc/07/92/66/896079266.db2.gz LQUFQGOGMDMUMP-UPJWGTAASA-N 2 0 287.404 -0.476 20 0 CBADRP C[C@@H]([NH2+]CCS(C)(=O)=O)[C@H](C)NC(=O)CC[NH+](C)C ZINC001368869907 896099974 /nfs/dbraw/zinc/09/99/74/896099974.db2.gz QLGGGEJQNPTAFA-MNOVXSKESA-N 2 0 293.433 -0.535 20 0 CBADRP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001368868968 896101657 /nfs/dbraw/zinc/10/16/57/896101657.db2.gz PLNUBANAXKLIIC-RYUDHWBXSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]CC(N)=O ZINC001368887582 896103165 /nfs/dbraw/zinc/10/31/65/896103165.db2.gz LCWMIPNKKYHOGC-RYUDHWBXSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)Cn2ccnc2)C1)C(N)=O ZINC001369187981 896168151 /nfs/dbraw/zinc/16/81/51/896168151.db2.gz ZTDVDCFUGPMCHV-SRVKXCTJSA-N 2 0 293.371 -0.369 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001369183861 896169323 /nfs/dbraw/zinc/16/93/23/896169323.db2.gz ALAJYINTTSQFAC-JOCQHMNTSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H](C)C(N)=O ZINC001369272151 896185346 /nfs/dbraw/zinc/18/53/46/896185346.db2.gz MJBGIXOQDBUNAC-MNOVXSKESA-N 2 0 284.404 -0.362 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001369269833 896185455 /nfs/dbraw/zinc/18/54/55/896185455.db2.gz FHUHREUUCDWJAS-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCn1cncn1 ZINC001369307440 896195857 /nfs/dbraw/zinc/19/58/57/896195857.db2.gz QVPQXTDMJQMUTO-CHWSQXEVSA-N 2 0 294.403 -0.334 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1cccnc1 ZINC001369356981 896236142 /nfs/dbraw/zinc/23/61/42/896236142.db2.gz YEJLBEDWEOJKQC-UONOGXRCSA-N 2 0 292.383 -0.258 20 0 CBADRP CC(C)(C)[C@@H](C[NH2+]CC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001369557902 896318468 /nfs/dbraw/zinc/31/84/68/896318468.db2.gz YCSZFTFVYYSJST-LLVKDONJSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001369565328 896319500 /nfs/dbraw/zinc/31/95/00/896319500.db2.gz RVHUCXUBPPXIOM-NSHDSACASA-N 2 0 286.420 -0.066 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](C[C@H](O)COC)C1)[NH+](C)C ZINC001370016687 896385267 /nfs/dbraw/zinc/38/52/67/896385267.db2.gz MJIMVNLMANILIU-AVGNSLFASA-N 2 0 287.404 -0.476 20 0 CBADRP C[NH+]1CCC(CC(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)CC1 ZINC001370345645 896419238 /nfs/dbraw/zinc/41/92/38/896419238.db2.gz RMKUWVKMSDDJGA-CYBMUJFWSA-N 2 0 296.415 -0.312 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001370358157 896420353 /nfs/dbraw/zinc/42/03/53/896420353.db2.gz XXIGNSHLNHUDEG-AVGNSLFASA-N 2 0 285.388 -0.722 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001370396973 896423480 /nfs/dbraw/zinc/42/34/80/896423480.db2.gz ZCCDYFNPKKMPPX-MJBXVCDLSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1)[NH+](C)C ZINC001370492370 896437495 /nfs/dbraw/zinc/43/74/95/896437495.db2.gz QYPHDKYKCCYZPF-JHJVBQTASA-N 2 0 296.415 -0.158 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001370565373 896440289 /nfs/dbraw/zinc/44/02/89/896440289.db2.gz ZZESWDAPABHHAL-LPWJVIDDSA-N 2 0 285.388 -0.818 20 0 CBADRP CCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001370564890 896441417 /nfs/dbraw/zinc/44/14/17/896441417.db2.gz XCKSPPOOANSZLS-JOCQHMNTSA-N 2 0 296.415 -0.155 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001370530611 896441918 /nfs/dbraw/zinc/44/19/18/896441918.db2.gz DVVPTFQIQMPDLQ-AVGNSLFASA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001370614065 896447213 /nfs/dbraw/zinc/44/72/13/896447213.db2.gz PKQSGWVLOHQLDO-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001370630810 896453024 /nfs/dbraw/zinc/45/30/24/896453024.db2.gz KWVTVKHSXNIGSM-OUAUKWLOSA-N 2 0 288.367 -0.612 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001370712582 896486599 /nfs/dbraw/zinc/48/65/99/896486599.db2.gz COKRSGOSKGPGSR-SYQHCUMBSA-N 2 0 299.415 -0.428 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001371138718 896554699 /nfs/dbraw/zinc/55/46/99/896554699.db2.gz IRZALBCASIIOBF-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N1CCCC1 ZINC001371144859 896556301 /nfs/dbraw/zinc/55/63/01/896556301.db2.gz WWLSNOQVWXRLTI-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N(C)C ZINC001371308119 896588696 /nfs/dbraw/zinc/58/86/96/896588696.db2.gz FLUJXQXSYVMZHL-GHMZBOCLSA-N 2 0 270.377 -0.737 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001371422618 896606719 /nfs/dbraw/zinc/60/67/19/896606719.db2.gz DRSZVHVZPHDJLE-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@@H](C)C(=O)NC ZINC001371412240 896607230 /nfs/dbraw/zinc/60/72/30/896607230.db2.gz WUWINNXGBSVVKR-QWRGUYRKSA-N 2 0 272.393 -0.443 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(=O)NC ZINC001371424404 896610140 /nfs/dbraw/zinc/61/01/40/896610140.db2.gz IBJIYAPOZZHYQM-MNOVXSKESA-N 2 0 272.393 -0.443 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001371472955 896620712 /nfs/dbraw/zinc/62/07/12/896620712.db2.gz HZAPHAAPDVTCHW-JSGCOSHPSA-N 2 0 298.431 -0.053 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001371511200 896625818 /nfs/dbraw/zinc/62/58/18/896625818.db2.gz XFFJDMIUEKEEEC-LBPRGKRZSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1)[NH+](CC)CC ZINC001371533701 896633054 /nfs/dbraw/zinc/63/30/54/896633054.db2.gz KWGBPWCSRGTKEO-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001371545069 896633151 /nfs/dbraw/zinc/63/31/51/896633151.db2.gz WEPLZTOENCNICQ-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001371736269 896658391 /nfs/dbraw/zinc/65/83/91/896658391.db2.gz UTXRAQQIRGAVBI-AAEUAGOBSA-N 2 0 294.403 -0.106 20 0 CBADRP CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]CC(N)=O)[NH+](C)C ZINC001371824953 896668054 /nfs/dbraw/zinc/66/80/54/896668054.db2.gz HSCSXBRMQOOLCH-CMPLNLGQSA-N 2 0 272.393 -0.458 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001371876655 896673497 /nfs/dbraw/zinc/67/34/97/896673497.db2.gz IRYRARLSJDLQTD-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@H]([NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001371880941 896674241 /nfs/dbraw/zinc/67/42/41/896674241.db2.gz MJJISHCDFUMXKO-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+](C)CCCO ZINC001372224361 896749487 /nfs/dbraw/zinc/74/94/87/896749487.db2.gz MCQHOEQQNVDQLL-CYBMUJFWSA-N 2 0 287.404 -0.615 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001372319394 896770757 /nfs/dbraw/zinc/77/07/57/896770757.db2.gz WHFIMSDQBAMDNS-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CC1CC[NH+](CC(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001372668720 896836694 /nfs/dbraw/zinc/83/66/94/896836694.db2.gz TUBUMSNNFQWASJ-CYBMUJFWSA-N 2 0 296.415 -0.358 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001372970460 896915528 /nfs/dbraw/zinc/91/55/28/896915528.db2.gz WWYAYMTZWLJMJS-NSHDSACASA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001373034133 896928672 /nfs/dbraw/zinc/92/86/72/896928672.db2.gz PMWSYBVYKMWGTO-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CCC[N@H+](CCO)C2)CC1 ZINC001373382224 896989757 /nfs/dbraw/zinc/98/97/57/896989757.db2.gz MEYQQKXMIJSLPN-CYBMUJFWSA-N 2 0 299.415 -0.330 20 0 CBADRP C[NH+](C)CCC(=O)NC1C[NH+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001373453245 897019361 /nfs/dbraw/zinc/01/93/61/897019361.db2.gz NJRBPLWLPGKGFO-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(CCNC(=O)CCC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001373642507 897086562 /nfs/dbraw/zinc/08/65/62/897086562.db2.gz GTQJGKKWUYQVGH-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(N)=O ZINC001373757942 897115034 /nfs/dbraw/zinc/11/50/34/897115034.db2.gz KQBYPKNRELEPCG-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@](C)(C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001373887889 897132993 /nfs/dbraw/zinc/13/29/93/897132993.db2.gz DENWAGZMDBGLFW-WFASDCNBSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)CCC(=O)N[C@](C)(C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001373887887 897135439 /nfs/dbraw/zinc/13/54/39/897135439.db2.gz DENWAGZMDBGLFW-IUODEOHRSA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC ZINC001373972464 897144898 /nfs/dbraw/zinc/14/48/98/897144898.db2.gz RKFBBKBOHZAOCN-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1cn(C)nn1 ZINC001374079408 897166500 /nfs/dbraw/zinc/16/65/00/897166500.db2.gz WGGLLDORZJWBNC-NSHDSACASA-N 2 0 282.392 -0.391 20 0 CBADRP CC[C@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)NC)[NH+](C)C ZINC001374098945 897171161 /nfs/dbraw/zinc/17/11/61/897171161.db2.gz QBHVUMRKTOQMIE-GHMZBOCLSA-N 2 0 272.393 -0.586 20 0 CBADRP C[N@H+](CC(=O)NCC1([NH2+]CC(N)=O)CCCC1)C1CCC1 ZINC001374161272 897179117 /nfs/dbraw/zinc/17/91/17/897179117.db2.gz HXNAFDIVWYVTBE-UHFFFAOYSA-N 2 0 296.415 -0.025 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374282466 897204460 /nfs/dbraw/zinc/20/44/60/897204460.db2.gz PTTYIRZMQZDGEQ-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C ZINC001374456809 897230183 /nfs/dbraw/zinc/23/01/83/897230183.db2.gz WJBGNZRIUNESFO-LBPRGKRZSA-N 2 0 286.420 -0.197 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC(N)=O)C1 ZINC001374562377 897261685 /nfs/dbraw/zinc/26/16/85/897261685.db2.gz PENRHZSJQNVBGK-OLZOCXBDSA-N 2 0 296.415 -0.264 20 0 CBADRP CN(CCN(C)[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374556698 897263337 /nfs/dbraw/zinc/26/33/37/897263337.db2.gz RYBVBDCNJPUXBZ-CHWSQXEVSA-N 2 0 296.415 -0.441 20 0 CBADRP Cc1nocc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001374593677 897293242 /nfs/dbraw/zinc/29/32/42/897293242.db2.gz ZCEZOOVXSVZILM-OLZOCXBDSA-N 2 0 296.371 -0.356 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cncn1C)[NH+](C)C ZINC001374673033 897336561 /nfs/dbraw/zinc/33/65/61/897336561.db2.gz UBIAOFZEEQWJJJ-OLZOCXBDSA-N 2 0 297.403 -0.673 20 0 CBADRP CC[C@@H]([NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001374709379 897352156 /nfs/dbraw/zinc/35/21/56/897352156.db2.gz HTGCSGIHLFYKNZ-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001374774194 897384459 /nfs/dbraw/zinc/38/44/59/897384459.db2.gz DOODHAQYSLWDPH-JHJVBQTASA-N 2 0 287.404 -0.428 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001374780460 897384981 /nfs/dbraw/zinc/38/49/81/897384981.db2.gz MSRYSXGOOVBKOV-GHMZBOCLSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001374811712 897400790 /nfs/dbraw/zinc/40/07/90/897400790.db2.gz RLZFAWMQEFCYNR-DGCLKSJQSA-N 2 0 296.415 -0.299 20 0 CBADRP CCn1ncnc1CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001374844033 897407176 /nfs/dbraw/zinc/40/71/76/897407176.db2.gz WFKDECXABDATKG-NEPJUHHUSA-N 2 0 294.403 -0.156 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001374833138 897408307 /nfs/dbraw/zinc/40/83/07/897408307.db2.gz CETNONCZYPRJCH-NEPJUHHUSA-N 2 0 285.388 -0.816 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001374848046 897412642 /nfs/dbraw/zinc/41/26/42/897412642.db2.gz CBNYMFGXYKZOOD-LLVKDONJSA-N 2 0 272.393 -0.443 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)CCC[NH+](C)C ZINC001374926312 897433881 /nfs/dbraw/zinc/43/38/81/897433881.db2.gz MYNQRQFUTXEBAQ-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001374922070 897433933 /nfs/dbraw/zinc/43/39/33/897433933.db2.gz LRNUGFKPVJHWGM-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCCNC1=O)[NH+](C)C ZINC001374932147 897434040 /nfs/dbraw/zinc/43/40/40/897434040.db2.gz VDFRFIQGODHBJU-RWMBFGLXSA-N 2 0 298.431 -0.055 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374933250 897438432 /nfs/dbraw/zinc/43/84/32/897438432.db2.gz GKFIHMXPSYQRJC-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+][C@@H](C)C(N)=O)C1CC1 ZINC001375277127 897507484 /nfs/dbraw/zinc/50/74/84/897507484.db2.gz JYKAUEJATMZFJS-JQWIXIFHSA-N 2 0 284.404 -0.315 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001375409877 897538239 /nfs/dbraw/zinc/53/82/39/897538239.db2.gz DYDCCSVTPFULOI-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP CC(C)[C@@H](C(=O)NCC1([NH2+][C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC001375433349 897543857 /nfs/dbraw/zinc/54/38/57/897543857.db2.gz OYKSCFCOJMQUEW-QWRGUYRKSA-N 2 0 284.404 -0.315 20 0 CBADRP CC[C@H]([NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1)C(N)=O ZINC001375489734 897552044 /nfs/dbraw/zinc/55/20/44/897552044.db2.gz HBZFWJAGWBXBRR-RYUDHWBXSA-N 2 0 296.415 -0.170 20 0 CBADRP COC[C@@H](O)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001375523241 897558145 /nfs/dbraw/zinc/55/81/45/897558145.db2.gz TZSFPVIKKLOICR-LBPRGKRZSA-N 2 0 297.399 -0.672 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001375518020 897559131 /nfs/dbraw/zinc/55/91/31/897559131.db2.gz XZPYVNLXYUZOQZ-FRRDWIJNSA-N 2 0 294.399 -0.545 20 0 CBADRP CC[C@@H](C(=O)NCC1([NH2+][C@@H]2CCN(C)C2=O)CC1)[NH+](C)C ZINC001375521121 897560661 /nfs/dbraw/zinc/56/06/61/897560661.db2.gz LRPQZESWJSKCJC-NEPJUHHUSA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2cnnn2C)CC1 ZINC001375553262 897566405 /nfs/dbraw/zinc/56/64/05/897566405.db2.gz MBYXRRXVYKNRQS-UHFFFAOYSA-N 2 0 294.403 -0.106 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001375896885 897619516 /nfs/dbraw/zinc/61/95/16/897619516.db2.gz NKPJCJYUSIUPFG-DOMZBBRYSA-N 2 0 296.415 -0.358 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+](CCOC)C1 ZINC001376086483 897647791 /nfs/dbraw/zinc/64/77/91/897647791.db2.gz DMWYLHXKPRZHGM-AWEZNQCLSA-N 2 0 287.404 -0.472 20 0 CBADRP COCC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001376103341 897654055 /nfs/dbraw/zinc/65/40/55/897654055.db2.gz ZIUBRRINYDSXQQ-CQSZACIVSA-N 2 0 287.404 -0.474 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001376204754 897687480 /nfs/dbraw/zinc/68/74/80/897687480.db2.gz ZBTCUYZAIUOSIC-NEPJUHHUSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C[NH2+]CC(N)=O ZINC001376356847 897716028 /nfs/dbraw/zinc/71/60/28/897716028.db2.gz CIZLIZDHFNACOE-NEPJUHHUSA-N 2 0 294.399 -0.748 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001376364297 897719954 /nfs/dbraw/zinc/71/99/54/897719954.db2.gz FNCOZKHPFBLCKE-YRGRVCCFSA-N 2 0 299.415 -0.285 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001376392724 897722744 /nfs/dbraw/zinc/72/27/44/897722744.db2.gz WEXFDXUZHLWAST-FIQHERPVSA-N 2 0 284.404 -0.317 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001376394681 897723245 /nfs/dbraw/zinc/72/32/45/897723245.db2.gz DELSMCRLQNIBIO-DCAQKATOSA-N 2 0 270.377 -0.691 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376392169 897723767 /nfs/dbraw/zinc/72/37/67/897723767.db2.gz MRVKHXUDTUELDW-XYPYZODXSA-N 2 0 282.388 -0.689 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC001376377018 897724319 /nfs/dbraw/zinc/72/43/19/897724319.db2.gz RWUIBJNHMZDLQA-GWOFURMSSA-N 2 0 270.377 -0.563 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001376411713 897727619 /nfs/dbraw/zinc/72/76/19/897727619.db2.gz YNAMJILMYDGAPK-JOCQHMNTSA-N 2 0 296.415 -0.155 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001376469501 897749712 /nfs/dbraw/zinc/74/97/12/897749712.db2.gz NBGZWIOLINDHFG-WUHRBBMRSA-N 2 0 296.415 -0.158 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001376488498 897756425 /nfs/dbraw/zinc/75/64/25/897756425.db2.gz GCRDZPKAOJQRLE-MQYQWHSLSA-N 2 0 299.415 -0.428 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001376487840 897756541 /nfs/dbraw/zinc/75/65/41/897756541.db2.gz JUXFEVMRAKEYKN-XQQFMLRXSA-N 2 0 297.399 -0.674 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001376488500 897757400 /nfs/dbraw/zinc/75/74/00/897757400.db2.gz GCRDZPKAOJQRLE-YIYPIFLZSA-N 2 0 299.415 -0.428 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001376557016 897777259 /nfs/dbraw/zinc/77/72/59/897777259.db2.gz LPXUZDZUXFJIJV-STQMWFEESA-N 2 0 296.415 -0.488 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001376606908 897784155 /nfs/dbraw/zinc/78/41/55/897784155.db2.gz DZXKCFVKTUBQPJ-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CCn1nncc1C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C ZINC001376805869 897853423 /nfs/dbraw/zinc/85/34/23/897853423.db2.gz FBNUJQINJGUPKM-LLVKDONJSA-N 2 0 282.392 -0.156 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001376803219 897853635 /nfs/dbraw/zinc/85/36/35/897853635.db2.gz OHEZHRAKZXUNKK-CMPLNLGQSA-N 2 0 272.393 -0.587 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H]1CCCNC1=O ZINC001376816137 897857038 /nfs/dbraw/zinc/85/70/38/897857038.db2.gz ZLYSERDLEBVKRU-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCO[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC001376839726 897864239 /nfs/dbraw/zinc/86/42/39/897864239.db2.gz ALWWQMNKUGPRRK-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N1CCO[C@H](C[NH2+]C[C@H](C)O)C1 ZINC001376871920 897874572 /nfs/dbraw/zinc/87/45/72/897874572.db2.gz ZSKCHWYSKRQDLN-QWHCGFSZSA-N 2 0 287.404 -0.476 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)CC2)CCC1 ZINC001376874849 897875742 /nfs/dbraw/zinc/87/57/42/897875742.db2.gz ALCJHTWGBCEUGC-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001376886960 897885616 /nfs/dbraw/zinc/88/56/16/897885616.db2.gz ZYPSHZSZRHGMRI-LBPRGKRZSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001376903230 897887520 /nfs/dbraw/zinc/88/75/20/897887520.db2.gz XMSAVXPEGUIDQQ-RYUDHWBXSA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC(N)=O)CC1 ZINC001376910459 897888659 /nfs/dbraw/zinc/88/86/59/897888659.db2.gz JFXZYEXCYFGGEK-GFCCVEGCSA-N 2 0 284.404 -0.217 20 0 CBADRP CN(C)C(=O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001376910870 897892286 /nfs/dbraw/zinc/89/22/86/897892286.db2.gz OWMOKEDGPJWZRD-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)CCC1 ZINC001376930070 897893791 /nfs/dbraw/zinc/89/37/91/897893791.db2.gz AHVFCILZTRBHLM-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP Cn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001376941178 897898153 /nfs/dbraw/zinc/89/81/53/897898153.db2.gz MSEMFLWGEVMWKV-GFCCVEGCSA-N 2 0 294.403 -0.295 20 0 CBADRP C[C@H]([NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001376952436 897901026 /nfs/dbraw/zinc/90/10/26/897901026.db2.gz FYOCUUQEIQTQKQ-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001376971435 897904589 /nfs/dbraw/zinc/90/45/89/897904589.db2.gz KPOXJMAUFMCRCJ-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001377009432 897910523 /nfs/dbraw/zinc/91/05/23/897910523.db2.gz FEAJCDRTZGMLQT-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(N)=O ZINC001377037546 897916805 /nfs/dbraw/zinc/91/68/05/897916805.db2.gz SKSZKJPGAXDTGI-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H](CCNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC(N)=O ZINC001377074959 897926802 /nfs/dbraw/zinc/92/68/02/897926802.db2.gz DTWUBOZFNFSHTC-LLVKDONJSA-N 2 0 284.404 -0.312 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001377114396 897931399 /nfs/dbraw/zinc/93/13/99/897931399.db2.gz VTTSJCMWXWLERS-RYUDHWBXSA-N 2 0 286.420 -0.055 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001377178650 897960868 /nfs/dbraw/zinc/96/08/68/897960868.db2.gz VYBAMHKETNJQEE-CQSZACIVSA-N 2 0 287.404 -0.738 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CC(N)=O)CC1 ZINC001377273864 897993719 /nfs/dbraw/zinc/99/37/19/897993719.db2.gz KWDRWMQRFBYGEO-LLVKDONJSA-N 2 0 282.388 -0.463 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CCN1CCCC1=O ZINC001377276430 897994398 /nfs/dbraw/zinc/99/43/98/897994398.db2.gz SYKDAXGDLHHFQA-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)CCn1cncn1 ZINC001377365366 898026455 /nfs/dbraw/zinc/02/64/55/898026455.db2.gz NEYLAYNJLIUHNC-UHFFFAOYSA-N 2 0 294.403 -0.188 20 0 CBADRP CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)C(=O)NC)[NH+](C)C ZINC001377450679 898053580 /nfs/dbraw/zinc/05/35/80/898053580.db2.gz RMFDJBLWAQXRDQ-SDDRHHMPSA-N 2 0 286.420 -0.055 20 0 CBADRP CCC[N@H+](CCNC(=O)C[NH+]1CCCC1)[C@H]1CCNC1=O ZINC001377510832 898072811 /nfs/dbraw/zinc/07/28/11/898072811.db2.gz PXBSEGGZZZTQJU-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001377575755 898091070 /nfs/dbraw/zinc/09/10/70/898091070.db2.gz JWTWEJZFFGBOOV-QWHCGFSZSA-N 2 0 296.415 -0.360 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001377574575 898091490 /nfs/dbraw/zinc/09/14/90/898091490.db2.gz CKACOYLQLBDBDH-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001377596366 898101309 /nfs/dbraw/zinc/10/13/09/898101309.db2.gz HLDAKVSQTARHJQ-MNOVXSKESA-N 2 0 270.377 -0.750 20 0 CBADRP CC[C@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001377596367 898101994 /nfs/dbraw/zinc/10/19/94/898101994.db2.gz HLDAKVSQTARHJQ-QWRGUYRKSA-N 2 0 270.377 -0.750 20 0 CBADRP CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001377596364 898102602 /nfs/dbraw/zinc/10/26/02/898102602.db2.gz HLDAKVSQTARHJQ-GHMZBOCLSA-N 2 0 270.377 -0.750 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001377717982 898120581 /nfs/dbraw/zinc/12/05/81/898120581.db2.gz VSWRVRJQNBKVNN-WXRRBKDZSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@H]([NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001377718947 898121112 /nfs/dbraw/zinc/12/11/12/898121112.db2.gz PNJILWBGOTZKAH-MCIGGMRASA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@@H]([NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001377718944 898121172 /nfs/dbraw/zinc/12/11/72/898121172.db2.gz PNJILWBGOTZKAH-HTAVTVPLSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001377804780 898140871 /nfs/dbraw/zinc/14/08/71/898140871.db2.gz AHMIECHBSGMKOT-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001377844114 898147746 /nfs/dbraw/zinc/14/77/46/898147746.db2.gz WEYDZVLBPKWWFM-ZJUUUORDSA-N 2 0 270.377 -0.704 20 0 CBADRP COC[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001377979137 898185526 /nfs/dbraw/zinc/18/55/26/898185526.db2.gz QEMGQOVYAVUXKC-KBPBESRZSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1C[NH+](CCCO)C1 ZINC001378029051 898210710 /nfs/dbraw/zinc/21/07/10/898210710.db2.gz VCSGBXINAHWTPE-ZDUSSCGKSA-N 2 0 299.415 -0.615 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001378081409 898227298 /nfs/dbraw/zinc/22/72/98/898227298.db2.gz RNKYWSPMZMLAPU-MELADBBJSA-N 2 0 299.415 -0.474 20 0 CBADRP CNC(=O)CN(C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001378141062 898250462 /nfs/dbraw/zinc/25/04/62/898250462.db2.gz MLRGISMTCOLUCV-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cnnn2C)C1 ZINC001378141691 898252367 /nfs/dbraw/zinc/25/23/67/898252367.db2.gz RZOHSFGNPWYKAY-GFCCVEGCSA-N 2 0 294.403 -0.153 20 0 CBADRP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N(C)C ZINC001378298153 898307192 /nfs/dbraw/zinc/30/71/92/898307192.db2.gz HHAOTFPLCSQSAL-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@H](C)C(N)=O ZINC001378336614 898317145 /nfs/dbraw/zinc/31/71/45/898317145.db2.gz HXWZWMBBUCTCGY-GHMZBOCLSA-N 2 0 272.393 -0.315 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(N)=O ZINC001378512342 898341669 /nfs/dbraw/zinc/34/16/69/898341669.db2.gz MNZFEJQVSFNLTF-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+][C@H](C)C(N)=O ZINC001378599070 898363310 /nfs/dbraw/zinc/36/33/10/898363310.db2.gz MIQVBHXDFFSBIB-WDEREUQCSA-N 2 0 284.404 -0.456 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001378612768 898365415 /nfs/dbraw/zinc/36/54/15/898365415.db2.gz YIZFTAPFTUPAPU-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001378619385 898369132 /nfs/dbraw/zinc/36/91/32/898369132.db2.gz VICNQNRRKITCQI-MNOVXSKESA-N 2 0 295.387 -0.324 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+][C@H]1CCNC1=O ZINC001378634262 898375578 /nfs/dbraw/zinc/37/55/78/898375578.db2.gz AJCSYXYMMKJFAS-RYUDHWBXSA-N 2 0 282.388 -0.687 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001378755019 898402811 /nfs/dbraw/zinc/40/28/11/898402811.db2.gz RIZOBNVEASRJMX-ZDEQEGDKSA-N 2 0 296.415 -0.506 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001378780249 898408606 /nfs/dbraw/zinc/40/86/06/898408606.db2.gz AMSQXCRUEWRKCG-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001378774019 898409137 /nfs/dbraw/zinc/40/91/37/898409137.db2.gz JCQYUASJVJLFNN-SNVBAGLBSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001378779561 898409282 /nfs/dbraw/zinc/40/92/82/898409282.db2.gz XCRZFOIIONZYGC-WDEREUQCSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)C[NH+]1CCCC1 ZINC001378852248 898422994 /nfs/dbraw/zinc/42/29/94/898422994.db2.gz LBSQMDRLMIBJQJ-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001378841681 898423386 /nfs/dbraw/zinc/42/33/86/898423386.db2.gz QHMJHKSYRRCBGW-LPWJVIDDSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)C[NH+]1CCCC1 ZINC001378852252 898423479 /nfs/dbraw/zinc/42/34/79/898423479.db2.gz LBSQMDRLMIBJQJ-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001378876827 898427610 /nfs/dbraw/zinc/42/76/10/898427610.db2.gz LUMVHGZQBMVQRH-AVGNSLFASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]CC(N)=O ZINC001378912552 898429772 /nfs/dbraw/zinc/42/97/72/898429772.db2.gz OODAFORPPGATJZ-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001378913792 898430433 /nfs/dbraw/zinc/43/04/33/898430433.db2.gz PYPHJZNXRABSHX-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H](C)C(N)=O ZINC001379002616 898441123 /nfs/dbraw/zinc/44/11/23/898441123.db2.gz VZJRZIDOGDDLHX-VXGBXAGGSA-N 2 0 296.415 -0.314 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C(C)C)[NH+](C)C ZINC001378995824 898441611 /nfs/dbraw/zinc/44/16/11/898441611.db2.gz GEOMSFXNOFEKKK-QWRGUYRKSA-N 2 0 272.393 -0.458 20 0 CBADRP C[NH+](C)CCC(=O)NCC1(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001379088191 898461196 /nfs/dbraw/zinc/46/11/96/898461196.db2.gz WGEJJPVMVJELAJ-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)N(C)C ZINC001379136653 898474422 /nfs/dbraw/zinc/47/44/22/898474422.db2.gz ZQXLGCKMSAOGSV-JHJVBQTASA-N 2 0 298.431 -0.149 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O ZINC001379134327 898474842 /nfs/dbraw/zinc/47/48/42/898474842.db2.gz JFCOEEBOPHQNMQ-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H](CN(C)C(=O)CCn1ccnc1)[NH2+]CC(=O)N(C)C ZINC001379182004 898493145 /nfs/dbraw/zinc/49/31/45/898493145.db2.gz UGUOEUIMADIGBA-GFCCVEGCSA-N 2 0 295.387 -0.202 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)N(C)C ZINC001379193897 898498564 /nfs/dbraw/zinc/49/85/64/898498564.db2.gz KBVBYNHFXBCFGB-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379278540 898535189 /nfs/dbraw/zinc/53/51/89/898535189.db2.gz QCSYEQRSWOZDAH-RYUDHWBXSA-N 2 0 296.415 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC001379285155 898536196 /nfs/dbraw/zinc/53/61/96/898536196.db2.gz NSXOHESBRNSZGP-MNOVXSKESA-N 2 0 272.393 -0.362 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379278542 898536642 /nfs/dbraw/zinc/53/66/42/898536642.db2.gz QCSYEQRSWOZDAH-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001379328520 898552483 /nfs/dbraw/zinc/55/24/83/898552483.db2.gz ZHSHJSKSPCBUSF-NSHDSACASA-N 2 0 272.393 -0.491 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001379332104 898554243 /nfs/dbraw/zinc/55/42/43/898554243.db2.gz YLSFCFZKTFXQAK-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCn1cccn1 ZINC001379375613 898589746 /nfs/dbraw/zinc/58/97/46/898589746.db2.gz VPJRAFKHAOTVGX-STQMWFEESA-N 2 0 295.387 -0.956 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001379444754 898617933 /nfs/dbraw/zinc/61/79/33/898617933.db2.gz PMHRPDCCAKSMIJ-VXGBXAGGSA-N 2 0 287.404 -0.428 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001379531608 898656537 /nfs/dbraw/zinc/65/65/37/898656537.db2.gz WORATRBSRVUCFO-OLZOCXBDSA-N 2 0 285.388 -0.815 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001379551533 898664650 /nfs/dbraw/zinc/66/46/50/898664650.db2.gz OBJJWSFIVCRGKF-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001379583982 898672116 /nfs/dbraw/zinc/67/21/16/898672116.db2.gz ZZYBDNNGFBNFHK-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC001379735977 898711669 /nfs/dbraw/zinc/71/16/69/898711669.db2.gz UKOZNCYPVUSFMS-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H](C[N@H+](C)[C@H]1CCCNC1=O)NC(=O)CC[NH+](C)C ZINC001379743644 898716133 /nfs/dbraw/zinc/71/61/33/898716133.db2.gz QGXVBDSYMVYZGK-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](C[N@H+](C)[C@@H]1CCCNC1=O)NC(=O)CC[NH+](C)C ZINC001379743643 898717866 /nfs/dbraw/zinc/71/78/66/898717866.db2.gz QGXVBDSYMVYZGK-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](C[N@H+](C)CCO)NC(=O)COC1CC[NH+](C)CC1 ZINC001379770290 898723838 /nfs/dbraw/zinc/72/38/38/898723838.db2.gz UJZBZAAOSNBLHN-LBPRGKRZSA-N 2 0 287.404 -0.474 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H](C[NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001379897408 898753265 /nfs/dbraw/zinc/75/32/65/898753265.db2.gz UPRWUHPDEXCSTP-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001380081177 898802586 /nfs/dbraw/zinc/80/25/86/898802586.db2.gz CPEPOUNSLBZCNA-LBPRGKRZSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C(N)=O ZINC001380081793 898804627 /nfs/dbraw/zinc/80/46/27/898804627.db2.gz UPFAXZYLJYBQES-IJLUTSLNSA-N 2 0 296.415 -0.171 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001380099284 898808158 /nfs/dbraw/zinc/80/81/58/898808158.db2.gz CMFSGFKSAKZFBZ-LLVKDONJSA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001380289368 898852233 /nfs/dbraw/zinc/85/22/33/898852233.db2.gz JMIHUCJVZBRERE-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[C@H](C(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1)[NH+](C)C ZINC001380566562 898902750 /nfs/dbraw/zinc/90/27/50/898902750.db2.gz QLJFDXGFUYTPFY-OCCSQVGLSA-N 2 0 287.404 -0.738 20 0 CBADRP COCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001380572410 898903304 /nfs/dbraw/zinc/90/33/04/898903304.db2.gz MIBOCWOVFWARQT-OCCSQVGLSA-N 2 0 285.388 -0.863 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@]2(CO)CCC[N@H+](CCO)C2)CC1 ZINC001380740775 898945447 /nfs/dbraw/zinc/94/54/47/898945447.db2.gz BPJWETDVFWOBCO-OAHLLOKOSA-N 2 0 299.415 -0.736 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC(N)=O)CC2)C1 ZINC001380799587 898953139 /nfs/dbraw/zinc/95/31/39/898953139.db2.gz PSKSKTQMGXHJHM-AVGNSLFASA-N 2 0 296.415 -0.312 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001381124010 898999333 /nfs/dbraw/zinc/99/93/33/898999333.db2.gz PWQXXOYDUCSSFV-NEPJUHHUSA-N 2 0 294.399 -0.735 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CCn1cncn1 ZINC001381624912 899097201 /nfs/dbraw/zinc/09/72/01/899097201.db2.gz YSXFVAKJBDJLJI-OLZOCXBDSA-N 2 0 294.403 -0.334 20 0 CBADRP COC[C@@H](O)C[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001381806505 899115652 /nfs/dbraw/zinc/11/56/52/899115652.db2.gz PTYSXUQXBAHCFA-AAEUAGOBSA-N 2 0 287.404 -0.618 20 0 CBADRP CNC(=O)C[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001382051348 899145855 /nfs/dbraw/zinc/14/58/55/899145855.db2.gz TXSHAZSBADIAJP-QWHCGFSZSA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001382051024 899147769 /nfs/dbraw/zinc/14/77/69/899147769.db2.gz NQYXRBULVJWLNF-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP COC[C@H](O)C[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001382154829 899166834 /nfs/dbraw/zinc/16/68/34/899166834.db2.gz QHQUMRGFWGTHKW-CHWSQXEVSA-N 2 0 299.415 -0.474 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]C/C=C/Cl ZINC001382275959 899228598 /nfs/dbraw/zinc/22/85/98/899228598.db2.gz VHFIQJLRTMVVQZ-PGLGOXFNSA-N 2 0 275.780 -0.099 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382318791 899247986 /nfs/dbraw/zinc/24/79/86/899247986.db2.gz RWVVNDXTXOFQPZ-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)CN1C(=O)CC[NH+](C)C ZINC001382319575 899248803 /nfs/dbraw/zinc/24/88/03/899248803.db2.gz TXJWXKSDJSIBCP-NWDGAFQWSA-N 2 0 294.403 -0.154 20 0 CBADRP Cc1nocc1C[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001382411912 899281394 /nfs/dbraw/zinc/28/13/94/899281394.db2.gz GKORDKZZYSHOPW-ZDUSSCGKSA-N 2 0 298.387 -0.156 20 0 CBADRP CN(C[C@@H](O)C[NH2+]C[C@H]1CCOC1)C(=O)C[NH+]1CCCC1 ZINC001382442272 899298212 /nfs/dbraw/zinc/29/82/12/899298212.db2.gz LYAVMFZTJIRVEK-KGLIPLIRSA-N 2 0 299.415 -0.472 20 0 CBADRP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)C1CC[NH+](C)CC1 ZINC001382467489 899305481 /nfs/dbraw/zinc/30/54/81/899305481.db2.gz ODUNRJOHHRMOFC-ZDUSSCGKSA-N 2 0 287.404 -0.928 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001385614665 899584938 /nfs/dbraw/zinc/58/49/38/899584938.db2.gz ZJZUHHBXGHQUOL-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001386478204 899668375 /nfs/dbraw/zinc/66/83/75/899668375.db2.gz KTEXWHVOVHIMKM-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@@H](C(=O)N(C)CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001386829907 899717788 /nfs/dbraw/zinc/71/77/88/899717788.db2.gz UKNTWIHAKJJHAE-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001386892633 899727268 /nfs/dbraw/zinc/72/72/68/899727268.db2.gz ZXRULFMEBDNSRC-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP CN(CCNC(=O)CC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001387094017 899760286 /nfs/dbraw/zinc/76/02/86/899760286.db2.gz MKBJPQCQJSAJRX-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP CN(CCNC(=O)CC[NH+](C)C)C(=O)C12CC[NH+](CC1)C2 ZINC001387095467 899761494 /nfs/dbraw/zinc/76/14/94/899761494.db2.gz VWGYDDHRXPXCDP-UHFFFAOYSA-N 2 0 296.415 -0.392 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001387787520 899829073 /nfs/dbraw/zinc/82/90/73/899829073.db2.gz NPYBFNAYNTZTHE-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[N@H+](C)CCC(=O)NC1CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001387826328 899837084 /nfs/dbraw/zinc/83/70/84/899837084.db2.gz ZESZHMODQSUMKG-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[N@H+](C)CCC(=O)NC1CN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001387826329 899837539 /nfs/dbraw/zinc/83/75/39/899837539.db2.gz ZESZHMODQSUMKG-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001388696431 899901670 /nfs/dbraw/zinc/90/16/70/899901670.db2.gz CMTUPHCMXPKOPS-FRRDWIJNSA-N 2 0 296.415 -0.299 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001388740519 899906594 /nfs/dbraw/zinc/90/65/94/899906594.db2.gz MATFBGWYRMOCCN-SYQHCUMBSA-N 2 0 299.415 -0.570 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001388744934 899907035 /nfs/dbraw/zinc/90/70/35/899907035.db2.gz NCGKIVXVQRXLJK-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001388740522 899908017 /nfs/dbraw/zinc/90/80/17/899908017.db2.gz MATFBGWYRMOCCN-XDQVBPFNSA-N 2 0 299.415 -0.570 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C1 ZINC001388784194 899912003 /nfs/dbraw/zinc/91/20/03/899912003.db2.gz BCVWLPLXOICAGJ-NEPJUHHUSA-N 2 0 282.388 -0.796 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001389419844 900008576 /nfs/dbraw/zinc/00/85/76/900008576.db2.gz BSCLTNRZPIIYJK-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)CC[N@@H+]1C ZINC001389618537 900048964 /nfs/dbraw/zinc/04/89/64/900048964.db2.gz WFOYEZAFXXFESZ-RWMBFGLXSA-N 2 0 296.415 -0.314 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001389626098 900053333 /nfs/dbraw/zinc/05/33/33/900053333.db2.gz ACCYBXWPBXXSEY-LLVKDONJSA-N 2 0 270.377 -0.832 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001389785132 900071778 /nfs/dbraw/zinc/07/17/78/900071778.db2.gz YGUFRMFLEUBYDW-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1)[NH+](C)C ZINC001389869696 900085357 /nfs/dbraw/zinc/08/53/57/900085357.db2.gz LGRFPGZVZBHIBS-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC001389864594 900085878 /nfs/dbraw/zinc/08/58/78/900085878.db2.gz WEXFDXUZHLWAST-KKOKHZNYSA-N 2 0 284.404 -0.317 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC001389861093 900086363 /nfs/dbraw/zinc/08/63/63/900086363.db2.gz NAQYBJDFHRRVOW-GMTAPVOTSA-N 2 0 282.388 -0.419 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001389884052 900089395 /nfs/dbraw/zinc/08/93/95/900089395.db2.gz OBWODEVDHXDQFX-AVGNSLFASA-N 2 0 299.415 -0.428 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001389952471 900097512 /nfs/dbraw/zinc/09/75/12/900097512.db2.gz AXDCRCSZNVAYQC-GRYCIOLGSA-N 2 0 282.388 -0.417 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CC(N)=O)CC[C@@H]21 ZINC001389949776 900098953 /nfs/dbraw/zinc/09/89/53/900098953.db2.gz JALKOAZRMQKAPP-STQMWFEESA-N 2 0 296.415 -0.264 20 0 CBADRP CC(C)CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001390306310 900131043 /nfs/dbraw/zinc/13/10/43/900131043.db2.gz JHKYTRWDSWKBCT-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001390306326 900132403 /nfs/dbraw/zinc/13/24/03/900132403.db2.gz JHKYTRWDSWKBCT-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[NH2+]CCO ZINC001390405872 900152542 /nfs/dbraw/zinc/15/25/42/900152542.db2.gz FCDHVWILVPYEBD-LBPRGKRZSA-N 2 0 287.404 -0.569 20 0 CBADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC(N)=O ZINC001390450786 900161548 /nfs/dbraw/zinc/16/15/48/900161548.db2.gz BPOBTRYQMDSUEB-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)C(=O)N(C)C ZINC001390464473 900167150 /nfs/dbraw/zinc/16/71/50/900167150.db2.gz FBGRCHDNNNARBX-GHMZBOCLSA-N 2 0 272.393 -0.491 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001390463725 900167996 /nfs/dbraw/zinc/16/79/96/900167996.db2.gz OWPDLMXSBRJGEV-LBPRGKRZSA-N 2 0 298.431 -0.053 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001390508908 900180529 /nfs/dbraw/zinc/18/05/29/900180529.db2.gz NFZBNKMEGAKHOD-NWDGAFQWSA-N 2 0 285.388 -0.816 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NCC1CC1 ZINC001390522592 900181365 /nfs/dbraw/zinc/18/13/65/900181365.db2.gz RWHGUZNHGRCLPF-YPMHNXCESA-N 2 0 296.415 -0.441 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001390538774 900183092 /nfs/dbraw/zinc/18/30/92/900183092.db2.gz PAFSCUSQJVVIAL-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+][C@H]1CCNC1=O ZINC001390537965 900183150 /nfs/dbraw/zinc/18/31/50/900183150.db2.gz YVAVSPBGRSJKFO-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001390555780 900189650 /nfs/dbraw/zinc/18/96/50/900189650.db2.gz FXIFGSNDOACDAU-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001390590654 900193461 /nfs/dbraw/zinc/19/34/61/900193461.db2.gz FGFLEEIVWJGXRL-NSHDSACASA-N 2 0 270.377 -0.748 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001390595071 900193597 /nfs/dbraw/zinc/19/35/97/900193597.db2.gz QYHCEZSMJZYONW-NWDGAFQWSA-N 2 0 282.388 -0.748 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001390593230 900193820 /nfs/dbraw/zinc/19/38/20/900193820.db2.gz DYASIPIMDSRPJL-NSHDSACASA-N 2 0 270.377 -0.748 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001390616441 900195755 /nfs/dbraw/zinc/19/57/55/900195755.db2.gz QOIPBNNFDDONPU-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001390601794 900197125 /nfs/dbraw/zinc/19/71/25/900197125.db2.gz CVHMLMKMROBFCJ-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001390667533 900207299 /nfs/dbraw/zinc/20/72/99/900207299.db2.gz VBNMJYGAVVXANR-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001390711326 900214010 /nfs/dbraw/zinc/21/40/10/900214010.db2.gz IUSLEGCVCXFRJF-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH+](C)CCC(=O)NCC[N@H+](C)C[C@@H]1CCNC(=O)CC1 ZINC001390813390 900258251 /nfs/dbraw/zinc/25/82/51/900258251.db2.gz SRYKVKAJRINJJA-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[N@H+](CCNC(=O)CCC[NH+](C)C)[C@@H]1CCNC1=O ZINC001390952939 900288547 /nfs/dbraw/zinc/28/85/47/900288547.db2.gz GUZZEMBBMDPWGI-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391091084 900309042 /nfs/dbraw/zinc/30/90/42/900309042.db2.gz BSVOZQJBYYPTBM-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001391114376 900315091 /nfs/dbraw/zinc/31/50/91/900315091.db2.gz TVCIGUZNNDMUDX-JSGCOSHPSA-N 2 0 298.431 -0.243 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001391108501 900315903 /nfs/dbraw/zinc/31/59/03/900315903.db2.gz HCEPYMZFZFVRAH-YPMHNXCESA-N 2 0 284.404 -0.504 20 0 CBADRP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001391220099 900343448 /nfs/dbraw/zinc/34/34/48/900343448.db2.gz OUOVBGDUSPZRKQ-LLVKDONJSA-N 2 0 270.377 -0.783 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)CC(N)=O)C2)CCC1 ZINC001391349099 900360381 /nfs/dbraw/zinc/36/03/81/900360381.db2.gz QMYMGWFTRUBJFN-LBPRGKRZSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC(=O)NC)C1)[NH+](C)C ZINC001391365098 900362151 /nfs/dbraw/zinc/36/21/51/900362151.db2.gz WJBYHORUBSVHDC-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]CC(N)=O ZINC001391695589 900435025 /nfs/dbraw/zinc/43/50/25/900435025.db2.gz RFYNQBOQNQLOLE-PWSUYJOCSA-N 2 0 272.393 -0.458 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](CC)[NH2+][C@@H]1CCNC1=O ZINC001391745565 900446162 /nfs/dbraw/zinc/44/61/62/900446162.db2.gz VWYKTRNVLUTBSA-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@@](C)(C[NH2+]CC(N)=O)C2CC2)CC1 ZINC001391819954 900450609 /nfs/dbraw/zinc/45/06/09/900450609.db2.gz RXEUONWVTZKADM-AWEZNQCLSA-N 2 0 296.415 -0.312 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001391940807 900466429 /nfs/dbraw/zinc/46/64/29/900466429.db2.gz VTIVWYIVBUOSRC-NEPJUHHUSA-N 2 0 286.420 -0.243 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001391940419 900466689 /nfs/dbraw/zinc/46/66/89/900466689.db2.gz QLDRLXPFYPXMLM-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001391940810 900467742 /nfs/dbraw/zinc/46/77/42/900467742.db2.gz VTIVWYIVBUOSRC-RYUDHWBXSA-N 2 0 286.420 -0.243 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)CCC[NH+](C)C ZINC001392099525 900513073 /nfs/dbraw/zinc/51/30/73/900513073.db2.gz HRWMFQGKURZRSJ-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)C(=O)NC ZINC001392116228 900516461 /nfs/dbraw/zinc/51/64/61/900516461.db2.gz JJEKATSUPVNPGV-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001392125325 900520780 /nfs/dbraw/zinc/52/07/80/900520780.db2.gz WRAIJWFMKZKQAT-QWRGUYRKSA-N 2 0 272.393 -0.362 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001392125324 900519927 /nfs/dbraw/zinc/51/99/27/900519927.db2.gz WRAIJWFMKZKQAT-MNOVXSKESA-N 2 0 272.393 -0.362 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392132301 900520289 /nfs/dbraw/zinc/52/02/89/900520289.db2.gz LFJYZAFCFZNOOE-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001392183619 900528626 /nfs/dbraw/zinc/52/86/26/900528626.db2.gz RGESINHTOSPUCC-STQMWFEESA-N 2 0 298.431 -0.101 20 0 CBADRP CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001392246083 900539126 /nfs/dbraw/zinc/53/91/26/900539126.db2.gz JRJCPCVEQACIAL-QWHCGFSZSA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)CCN(C)[C@H]2CCNC2=O)CC[N@@H+]1C ZINC001392277349 900551529 /nfs/dbraw/zinc/55/15/29/900551529.db2.gz CEDBBWKTAYAYHE-UPJWGTAASA-N 2 0 296.415 -0.395 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001392394939 900602783 /nfs/dbraw/zinc/60/27/83/900602783.db2.gz RAUDKQYFHPUUIN-NWDGAFQWSA-N 2 0 273.377 -0.959 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cccnc2)C1 ZINC001392424848 900614182 /nfs/dbraw/zinc/61/41/82/900614182.db2.gz KLQGLZOTAPBVMH-UONOGXRCSA-N 2 0 292.383 -0.400 20 0 CBADRP C[C@@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001392439672 900617506 /nfs/dbraw/zinc/61/75/06/900617506.db2.gz KMOKLCFPXIYAKU-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001392459237 900623507 /nfs/dbraw/zinc/62/35/07/900623507.db2.gz ZQWSLYSXRLIVOQ-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP Cc1c(C(=O)N[C@H](C)C[NH2+]CC(N)=O)ccc2c[nH+]cn21 ZINC001392488511 900634618 /nfs/dbraw/zinc/63/46/18/900634618.db2.gz GBVMNXQICKSQKW-SECBINFHSA-N 2 0 289.339 -0.164 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001392583674 900667806 /nfs/dbraw/zinc/66/78/06/900667806.db2.gz UBPJBWMYGXFZQQ-SDDRHHMPSA-N 2 0 284.404 -0.348 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001392597881 900670497 /nfs/dbraw/zinc/67/04/97/900670497.db2.gz RZMLGRRXCOJKNG-DCAQKATOSA-N 2 0 270.377 -0.561 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC ZINC001392603195 900675489 /nfs/dbraw/zinc/67/54/89/900675489.db2.gz VSXSMHBSKZIOTD-QWRGUYRKSA-N 2 0 272.393 -0.443 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001392613874 900676591 /nfs/dbraw/zinc/67/65/91/900676591.db2.gz MZIHUMRPXROCMF-RYUDHWBXSA-N 2 0 273.377 -0.816 20 0 CBADRP CC(C)CNC(=O)C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001392610880 900676922 /nfs/dbraw/zinc/67/69/22/900676922.db2.gz AJNCCPJSPCOFRV-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001392791129 900726965 /nfs/dbraw/zinc/72/69/65/900726965.db2.gz DKNBVYBPNCMZID-WCQYABFASA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001392791156 900727245 /nfs/dbraw/zinc/72/72/45/900727245.db2.gz DKSZUQXWGUGNDH-ZYHUDNBSSA-N 2 0 282.388 -0.702 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001392791217 900727746 /nfs/dbraw/zinc/72/77/46/900727746.db2.gz ZSINRFMCOXGRPK-RYUDHWBXSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392821874 900733489 /nfs/dbraw/zinc/73/34/89/900733489.db2.gz AKBVWIKCROBLEQ-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP COC[C@H](O)C[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001392913261 900757640 /nfs/dbraw/zinc/75/76/40/900757640.db2.gz UQXPMHJJHKBMPA-GFCCVEGCSA-N 2 0 299.415 -0.284 20 0 CBADRP NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001392937777 900766396 /nfs/dbraw/zinc/76/63/96/900766396.db2.gz CLAPSHWCMFRXIS-RYUDHWBXSA-N 2 0 294.399 -0.273 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1)C(N)=O ZINC001392963074 900769303 /nfs/dbraw/zinc/76/93/03/900769303.db2.gz HKSXPGJEEZUUDE-LBPRGKRZSA-N 2 0 296.415 -0.025 20 0 CBADRP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001393060617 900787613 /nfs/dbraw/zinc/78/76/13/900787613.db2.gz ZLNBHJNVRREQAY-RYUDHWBXSA-N 2 0 294.399 -0.463 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001393084491 900789282 /nfs/dbraw/zinc/78/92/82/900789282.db2.gz ZDXAOSHTCGCEQX-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001393105079 900792999 /nfs/dbraw/zinc/79/29/99/900792999.db2.gz FUWWCVZEOVHIKE-JSGCOSHPSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H](O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001393219061 900804096 /nfs/dbraw/zinc/80/40/96/900804096.db2.gz AGXMLDMEAHMPOH-CYBMUJFWSA-N 2 0 299.415 -0.282 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001393388742 900851001 /nfs/dbraw/zinc/85/10/01/900851001.db2.gz QAEDXMMYOZHSOV-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001393740703 900900339 /nfs/dbraw/zinc/90/03/39/900900339.db2.gz JACDGAHYYFMBRH-QWRGUYRKSA-N 2 0 270.377 -0.752 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001393824976 900912223 /nfs/dbraw/zinc/91/22/23/900912223.db2.gz WXIUGCXLSMVZMU-WDEREUQCSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)[C@H](C)[NH2+]CCO ZINC001393943281 900934605 /nfs/dbraw/zinc/93/46/05/900934605.db2.gz FHTKXCOCUBKZSN-RYUDHWBXSA-N 2 0 297.403 -0.467 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001393981925 900946638 /nfs/dbraw/zinc/94/66/38/900946638.db2.gz YFZOGRZIYCJTAK-QWRGUYRKSA-N 2 0 272.393 -0.443 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)[C@H]1CCCNC1=O ZINC001394139337 900985579 /nfs/dbraw/zinc/98/55/79/900985579.db2.gz WCKBKDCCNLVDPB-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001394348581 901016090 /nfs/dbraw/zinc/01/60/90/901016090.db2.gz WUZFJAULEKMOHA-XYYAHUGASA-N 2 0 296.415 -0.633 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1)[NH+](C)C ZINC001394375564 901019468 /nfs/dbraw/zinc/01/94/68/901019468.db2.gz KVPTULSZWWCJQJ-CYDGBPFRSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@H]1CCCN(C)C1=O ZINC001394519676 901041631 /nfs/dbraw/zinc/04/16/31/901041631.db2.gz MQSNOPPJZNQQPA-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001394517516 901042131 /nfs/dbraw/zinc/04/21/31/901042131.db2.gz IEQYTXGXIRMWHX-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H]1CCCN(C)C1=O ZINC001394519647 901043025 /nfs/dbraw/zinc/04/30/25/901043025.db2.gz MQSNOPPJZNQQPA-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001394536831 901047593 /nfs/dbraw/zinc/04/75/93/901047593.db2.gz FMPJNOFHUAXSMU-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001394552572 901047713 /nfs/dbraw/zinc/04/77/13/901047713.db2.gz IAWDOYOQRFPELG-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001394536649 901048136 /nfs/dbraw/zinc/04/81/36/901048136.db2.gz JQEWBMAXZBJOJP-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001394662403 901112212 /nfs/dbraw/zinc/11/22/12/901112212.db2.gz MKQVZGYMLAQQEX-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001394762629 901142245 /nfs/dbraw/zinc/14/22/45/901142245.db2.gz PYVGYHKETUVENG-AAEUAGOBSA-N 2 0 287.404 -0.882 20 0 CBADRP CN(C[C@@H](O)C[N@H+](C)CCCO)C(=O)[C@H]1CCC[NH+]1C ZINC001394772476 901149001 /nfs/dbraw/zinc/14/90/01/901149001.db2.gz XRUGMQFPTAACGS-QWHCGFSZSA-N 2 0 287.404 -0.786 20 0 CBADRP CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001394859399 901165073 /nfs/dbraw/zinc/16/50/73/901165073.db2.gz FBTQGTKMTDLETF-ORHYLEIMSA-N 2 0 298.431 -0.102 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001395172255 901186370 /nfs/dbraw/zinc/18/63/70/901186370.db2.gz QILPWFIVFHLZBE-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001396545234 901325796 /nfs/dbraw/zinc/32/57/96/901325796.db2.gz MEBHIZYJLSYKEU-BETUJISGSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001397611212 901439456 /nfs/dbraw/zinc/43/94/56/901439456.db2.gz HGDHAVFDEIGIOA-ZDEQEGDKSA-N 2 0 296.415 -0.171 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001397628173 901441652 /nfs/dbraw/zinc/44/16/52/901441652.db2.gz QWKXCPHZDIGZMC-XUXIUFHCSA-N 2 0 299.415 -0.428 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001397654266 901444733 /nfs/dbraw/zinc/44/47/33/901444733.db2.gz VOBOYPBIHBOMEZ-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001397700210 901448458 /nfs/dbraw/zinc/44/84/58/901448458.db2.gz RGVAGALFESKNQQ-SRVKXCTJSA-N 2 0 284.404 -0.314 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001398374670 901530864 /nfs/dbraw/zinc/53/08/64/901530864.db2.gz HBVHJCMHCXSYLG-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001398450035 901541068 /nfs/dbraw/zinc/54/10/68/901541068.db2.gz KRJMXJYAUDKUGS-STQMWFEESA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001398469830 901544184 /nfs/dbraw/zinc/54/41/84/901544184.db2.gz RCZKGFGVLYWPLB-OLZOCXBDSA-N 2 0 298.431 -0.018 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001398610800 901572653 /nfs/dbraw/zinc/57/26/53/901572653.db2.gz ILRFEMSLXPOSFX-PHIMTYICSA-N 2 0 293.371 -0.333 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001398670757 901586770 /nfs/dbraw/zinc/58/67/70/901586770.db2.gz NMBXGPCDAMRKDZ-MBNYWOFBSA-N 2 0 298.431 -0.055 20 0 CBADRP C[NH+](C)CCC(=O)NC1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001398677379 901587875 /nfs/dbraw/zinc/58/78/75/901587875.db2.gz DTGNIHDMRYJQRT-UHFFFAOYSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)N(C)C ZINC001398920770 901630783 /nfs/dbraw/zinc/63/07/83/901630783.db2.gz LUIBOOGTSZGONU-IJLUTSLNSA-N 2 0 284.404 -0.491 20 0 CBADRP CC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001398975808 901645792 /nfs/dbraw/zinc/64/57/92/901645792.db2.gz LFDKDBYTQBJDJE-WDEREUQCSA-N 2 0 272.393 -0.491 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001398975806 901645885 /nfs/dbraw/zinc/64/58/85/901645885.db2.gz LFDKDBYTQBJDJE-GHMZBOCLSA-N 2 0 272.393 -0.491 20 0 CBADRP CCn1nncc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001399108888 901665543 /nfs/dbraw/zinc/66/55/43/901665543.db2.gz KHHCWLQMZHKZIO-RYUDHWBXSA-N 2 0 294.403 -0.156 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC(N)=O ZINC001399101539 901666193 /nfs/dbraw/zinc/66/61/93/901666193.db2.gz MOOCSHLUDGXUIU-LLVKDONJSA-N 2 0 270.377 -0.702 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001399110687 901669774 /nfs/dbraw/zinc/66/97/74/901669774.db2.gz RSZIKXQVLNKRDK-YPMHNXCESA-N 2 0 296.419 -0.004 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001399177154 901680180 /nfs/dbraw/zinc/68/01/80/901680180.db2.gz VSJCTMDQYOYPMV-MNOVXSKESA-N 2 0 270.377 -0.691 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001399187949 901680961 /nfs/dbraw/zinc/68/09/61/901680961.db2.gz XXICFTHBMTVJGK-AAEUAGOBSA-N 2 0 296.415 -0.204 20 0 CBADRP CC1CC[NH+](CC(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001399245881 901686417 /nfs/dbraw/zinc/68/64/17/901686417.db2.gz PFYKKQZLWMHTKS-ZDUSSCGKSA-N 2 0 296.415 -0.358 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001399303871 901693379 /nfs/dbraw/zinc/69/33/79/901693379.db2.gz CVMSKRPUBOHKEG-WCQYABFASA-N 2 0 296.415 -0.441 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001399365071 901705037 /nfs/dbraw/zinc/70/50/37/901705037.db2.gz WSKNOUAJHPFUTR-YPMHNXCESA-N 2 0 286.420 -0.197 20 0 CBADRP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@H]1CCNC1=O ZINC001399378715 901705859 /nfs/dbraw/zinc/70/58/59/901705859.db2.gz VXGBEICBLLKZEN-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001399365066 901706161 /nfs/dbraw/zinc/70/61/61/901706161.db2.gz WSKNOUAJHPFUTR-AAEUAGOBSA-N 2 0 286.420 -0.197 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001457347804 914558837 /nfs/dbraw/zinc/55/88/37/914558837.db2.gz XUIBTJVBHOOPOL-QWHCGFSZSA-N 2 0 298.431 -0.242 20 0 CBADRP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CCN1CCCC1=O ZINC001399553751 901749283 /nfs/dbraw/zinc/74/92/83/901749283.db2.gz ASBJBIJNQAOWJB-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001399922085 901835002 /nfs/dbraw/zinc/83/50/02/901835002.db2.gz DBGCNSZNVJNSIZ-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CN1CC[C@@H]([N@@H+]2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001399938509 901838252 /nfs/dbraw/zinc/83/82/52/901838252.db2.gz ZVMFWMGPDCAEID-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001399936938 901839104 /nfs/dbraw/zinc/83/91/04/901839104.db2.gz YKBNHGPQHFVPOE-RYUDHWBXSA-N 2 0 296.415 -0.360 20 0 CBADRP C[N@H+](CC(=O)NCC[C@H]1CC[NH+](CC(N)=O)C1)C1CCC1 ZINC001400148099 901887183 /nfs/dbraw/zinc/88/71/83/901887183.db2.gz MZOUTHHDAOQTGN-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP CO[C@@H](C)CN1CC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001400448523 901941946 /nfs/dbraw/zinc/94/19/46/901941946.db2.gz JCSHGPAFOBWPMM-STQMWFEESA-N 2 0 299.415 -0.210 20 0 CBADRP CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC(N)=O ZINC001400825414 902023982 /nfs/dbraw/zinc/02/39/82/902023982.db2.gz MKWHMEMDVUDKPH-LLVKDONJSA-N 2 0 282.388 -0.416 20 0 CBADRP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H]1CCNC1=O ZINC001400841135 902024403 /nfs/dbraw/zinc/02/44/03/902024403.db2.gz BKEKMVSBUURXMD-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C[NH2+]CC(=O)N(C)C ZINC001401128590 902060087 /nfs/dbraw/zinc/06/00/87/902060087.db2.gz KZJFHBKXGFASHE-CHWSQXEVSA-N 2 0 298.431 -0.242 20 0 CBADRP Cc1nnc(C[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C)[nH]1 ZINC001401131696 902060200 /nfs/dbraw/zinc/06/02/00/902060200.db2.gz XUQADPMEXQYADP-JTQLQIEISA-N 2 0 282.392 -0.093 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]CC(N)=O ZINC001401129635 902061308 /nfs/dbraw/zinc/06/13/08/902061308.db2.gz QNMDDFKGTWSQDW-WOPDTQHZSA-N 2 0 284.404 -0.456 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)CC[NH+](C)C ZINC001401236095 902088252 /nfs/dbraw/zinc/08/82/52/902088252.db2.gz GXBVYZVTOLYLBQ-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001401260113 902095234 /nfs/dbraw/zinc/09/52/34/902095234.db2.gz WWZAECGZTTVSAT-QWRGUYRKSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(N)=O)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001401260099 902097725 /nfs/dbraw/zinc/09/77/25/902097725.db2.gz WWZAECGZTTVSAT-GHMZBOCLSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001401298891 902100030 /nfs/dbraw/zinc/10/00/30/902100030.db2.gz PAWBMVJJUSKPAP-RYUDHWBXSA-N 2 0 296.415 -0.360 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001401475833 902129346 /nfs/dbraw/zinc/12/93/46/902129346.db2.gz CIJIOCRFFVEDOW-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[NH2+]C[C@H](O)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001401564864 902169202 /nfs/dbraw/zinc/16/92/02/902169202.db2.gz MZDLYDPCRUBVGY-LBPRGKRZSA-N 2 0 283.376 -0.855 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001401598928 902182866 /nfs/dbraw/zinc/18/28/66/902182866.db2.gz CNBZRMUBMQOHKS-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001401598038 902183103 /nfs/dbraw/zinc/18/31/03/902183103.db2.gz CNBZRMUBMQOHKS-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)C1CC[NH+](C)CC1 ZINC001401603072 902184821 /nfs/dbraw/zinc/18/48/21/902184821.db2.gz SPGMSPOKUIWNQJ-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)CC[NH2+][C@H](C)C(N)=O ZINC001401605479 902185455 /nfs/dbraw/zinc/18/54/55/902185455.db2.gz PSVNRCMXERXYHR-GHMZBOCLSA-N 2 0 272.393 -0.315 20 0 CBADRP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401607726 902186319 /nfs/dbraw/zinc/18/63/19/902186319.db2.gz HCIPOWZRGMTKNO-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)C[NH+]1CCCC1 ZINC001401609034 902188406 /nfs/dbraw/zinc/18/84/06/902188406.db2.gz KWZBGYXFUGEZCI-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)C[N@H+](C)C1CCC1 ZINC001401611948 902188576 /nfs/dbraw/zinc/18/85/76/902188576.db2.gz UKVIBKHASWMSKE-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H](CNCc1nncn1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001401620639 902197624 /nfs/dbraw/zinc/19/76/24/902197624.db2.gz XVAWSDWWNRWNMJ-IJLUTSLNSA-N 2 0 294.403 -0.250 20 0 CBADRP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001401630094 902201326 /nfs/dbraw/zinc/20/13/26/902201326.db2.gz AZPILDHLBFCGRC-YPMHNXCESA-N 2 0 294.403 -0.106 20 0 CBADRP CCn1nncc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001401669442 902218195 /nfs/dbraw/zinc/21/81/95/902218195.db2.gz ODFJSHNGRCTCQI-NEPJUHHUSA-N 2 0 294.403 -0.156 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001401697672 902235760 /nfs/dbraw/zinc/23/57/60/902235760.db2.gz KRPJQPFQTLNMLS-RVMXOQNASA-N 2 0 298.431 -0.055 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001401704684 902239064 /nfs/dbraw/zinc/23/90/64/902239064.db2.gz BFTJRTAPXJSTEQ-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001401718395 902245949 /nfs/dbraw/zinc/24/59/49/902245949.db2.gz PHQDHUGZIWMIBM-RYUDHWBXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001401847168 902288744 /nfs/dbraw/zinc/28/87/44/902288744.db2.gz VPEPHDFKTMPEQW-QWHCGFSZSA-N 2 0 296.415 -0.170 20 0 CBADRP CC(C)NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001401939905 902317344 /nfs/dbraw/zinc/31/73/44/902317344.db2.gz MBNIWORRZUHEQP-GFCCVEGCSA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)[C@@H](C(=O)NCC1([NH2+]CC(=O)N(C)C)CC1)[NH+](C)C ZINC001401976494 902330461 /nfs/dbraw/zinc/33/04/61/902330461.db2.gz DWTRKHKCBMTALG-ZDUSSCGKSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001402081899 902349217 /nfs/dbraw/zinc/34/92/17/902349217.db2.gz QPTVZDSUKRZRIS-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001402242623 902389316 /nfs/dbraw/zinc/38/93/16/902389316.db2.gz VBRWAJOGLJPXPB-CHWSQXEVSA-N 2 0 299.415 -0.284 20 0 CBADRP CO[C@@H](C)C[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001402257810 902394549 /nfs/dbraw/zinc/39/45/49/902394549.db2.gz BLOILUWEMIAQOI-GXTWGEPZSA-N 2 0 287.404 -0.474 20 0 CBADRP C[NH+](C)CCCC(=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001402274401 902404911 /nfs/dbraw/zinc/40/49/11/902404911.db2.gz XMFTVLNRJYJVES-CQSZACIVSA-N 2 0 287.404 -0.736 20 0 CBADRP COC[C@@H](C)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001402385636 902439084 /nfs/dbraw/zinc/43/90/84/902439084.db2.gz LQDNQBFMGLIKJF-NEPJUHHUSA-N 2 0 285.388 -0.864 20 0 CBADRP NC(=O)C[NH2+][C@@H](CNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001402384635 902440894 /nfs/dbraw/zinc/44/08/94/902440894.db2.gz UPIUHGKAACDYOI-ZDUSSCGKSA-N 2 0 296.415 -0.168 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001402488075 902463230 /nfs/dbraw/zinc/46/32/30/902463230.db2.gz BUVMSBWDDJODEN-IJLUTSLNSA-N 2 0 296.415 -0.158 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001402487556 902463717 /nfs/dbraw/zinc/46/37/17/902463717.db2.gz ADVKWRJFYNTXBX-NHCYSSNCSA-N 2 0 270.377 -0.705 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001402601247 902486221 /nfs/dbraw/zinc/48/62/21/902486221.db2.gz DQTXIFMSVUHXCP-YIYPIFLZSA-N 2 0 299.415 -0.428 20 0 CBADRP O=C(C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1)NC1CC1 ZINC001402634697 902492825 /nfs/dbraw/zinc/49/28/25/902492825.db2.gz FVWWCMKJTNROOS-BETUJISGSA-N 2 0 294.399 -0.402 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001402630439 902494001 /nfs/dbraw/zinc/49/40/01/902494001.db2.gz NADHLFKERHTFIV-TUAOUCFPSA-N 2 0 284.404 -0.348 20 0 CBADRP CC[C@H](C(=O)N(C)CCC[N@H+](C)[C@H](C)C(N)=O)[NH+](C)C ZINC001402641227 902496357 /nfs/dbraw/zinc/49/63/57/902496357.db2.gz GJYCRCIXOBQVRU-VXGBXAGGSA-N 2 0 286.420 -0.019 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001402681908 902502606 /nfs/dbraw/zinc/50/26/06/902502606.db2.gz LHQXJZLLZJJIFD-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@H]21)[NH+](C)C ZINC001402801436 902521329 /nfs/dbraw/zinc/52/13/29/902521329.db2.gz OXIUTFODDHZASX-BNDIWNMDSA-N 2 0 296.415 -0.493 20 0 CBADRP CNC(=O)C[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001402810907 902525851 /nfs/dbraw/zinc/52/58/51/902525851.db2.gz FTXARVICRSZMDV-BPCQOVAHSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@@H](C(=O)NC1CC(C[NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001402935231 902570362 /nfs/dbraw/zinc/57/03/62/902570362.db2.gz RNXVPFWBTPGRPV-BPCQOVAHSA-N 2 0 298.431 -0.101 20 0 CBADRP Cn1nnc(CNCC2CC(NC(=O)CC[NH+](C)C)C2)n1 ZINC001402955701 902571251 /nfs/dbraw/zinc/57/12/51/902571251.db2.gz OLLHJVPGYBWCAK-UHFFFAOYSA-N 2 0 295.391 -0.854 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+][C@H]2CCNC2=O)C1 ZINC001402951434 902572480 /nfs/dbraw/zinc/57/24/80/902572480.db2.gz MVLGMNGCFLEWBH-BPCQOVAHSA-N 2 0 296.415 -0.301 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001402951445 902573368 /nfs/dbraw/zinc/57/33/68/902573368.db2.gz MVLGMNGCFLEWBH-WXRRBKDZSA-N 2 0 296.415 -0.301 20 0 CBADRP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001402992627 902586217 /nfs/dbraw/zinc/58/62/17/902586217.db2.gz LEZWWKKQCVCYTK-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001403008465 902590381 /nfs/dbraw/zinc/59/03/81/902590381.db2.gz XVKPSWILIFYUPG-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CCn1cncn1)[NH+](C)C ZINC001403089301 902613643 /nfs/dbraw/zinc/61/36/43/902613643.db2.gz HMYFRHQNJGRLMQ-STQMWFEESA-N 2 0 296.419 -0.041 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCCNC1=O ZINC001403098642 902614590 /nfs/dbraw/zinc/61/45/90/902614590.db2.gz IZPZDGHWCQUDPJ-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCCNC1=O ZINC001403099335 902617573 /nfs/dbraw/zinc/61/75/73/902617573.db2.gz IZPZDGHWCQUDPJ-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001403149934 902632214 /nfs/dbraw/zinc/63/22/14/902632214.db2.gz ZENRVVKEAIIXJI-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(CCO)CN(CCCF)C1 ZINC001403205759 902647367 /nfs/dbraw/zinc/64/73/67/902647367.db2.gz ZSXYMEYEOGKQMW-GFCCVEGCSA-N 2 0 287.379 -0.007 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001403213348 902650770 /nfs/dbraw/zinc/65/07/70/902650770.db2.gz NWOCDXZRFNREFX-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001403212362 902651621 /nfs/dbraw/zinc/65/16/21/902651621.db2.gz NANHIXSASRIRRB-LBPRGKRZSA-N 2 0 280.376 -0.580 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001403263434 902660161 /nfs/dbraw/zinc/66/01/61/902660161.db2.gz QKNMJJOEFMUZAS-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001403282942 902662944 /nfs/dbraw/zinc/66/29/44/902662944.db2.gz VDSUHFIVUJWVNU-CHWSQXEVSA-N 2 0 296.415 -0.488 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001403282953 902663186 /nfs/dbraw/zinc/66/31/86/902663186.db2.gz VDSUHFIVUJWVNU-QWHCGFSZSA-N 2 0 296.415 -0.488 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001403271006 902663259 /nfs/dbraw/zinc/66/32/59/902663259.db2.gz FKIKNZWWYJVFSI-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP CNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001403320215 902667939 /nfs/dbraw/zinc/66/79/39/902667939.db2.gz CUJXKGWWKNVZHB-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001403462030 902695091 /nfs/dbraw/zinc/69/50/91/902695091.db2.gz GYQFGWLAMWVEJL-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001403460219 902696719 /nfs/dbraw/zinc/69/67/19/902696719.db2.gz QKVYDUBCXQPVKU-XYPYZODXSA-N 2 0 270.377 -0.702 20 0 CBADRP CC(C)[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@@H]1CCNC1=O ZINC001403482983 902698752 /nfs/dbraw/zinc/69/87/52/902698752.db2.gz UYHWKEQVNVHQME-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001403545956 902727213 /nfs/dbraw/zinc/72/72/13/902727213.db2.gz JZRDZSOTGQEUGA-CYBMUJFWSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC1CC1 ZINC001403621635 902755110 /nfs/dbraw/zinc/75/51/10/902755110.db2.gz DGXSRBLQVZSGTD-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CC[NH+](C)C ZINC001403749803 902838293 /nfs/dbraw/zinc/83/82/93/902838293.db2.gz RJAIRLGSIFWOGF-VXGBXAGGSA-N 2 0 284.404 -0.395 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001403766836 902842318 /nfs/dbraw/zinc/84/23/18/902842318.db2.gz KEWWCQKMKPQFSI-NWDGAFQWSA-N 2 0 294.399 -0.593 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001403817316 902856622 /nfs/dbraw/zinc/85/66/22/902856622.db2.gz PCDDSSROJGXBCP-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC(N)=O)C2)CCC1 ZINC001403810289 902858563 /nfs/dbraw/zinc/85/85/63/902858563.db2.gz WVXZAYDZKNDGCN-VXGBXAGGSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+]1CCC(OCC(=O)NC[C@H]2CCC[N@@H+]2CCO)CC1 ZINC001404001565 902919640 /nfs/dbraw/zinc/91/96/40/902919640.db2.gz FUMQLEMGZFPUNI-CYBMUJFWSA-N 2 0 299.415 -0.330 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C)C1 ZINC001403993883 902922074 /nfs/dbraw/zinc/92/20/74/902922074.db2.gz VUROWZOXVYONIN-VXGBXAGGSA-N 2 0 298.431 -0.066 20 0 CBADRP CNC(=O)C[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001404023346 902925602 /nfs/dbraw/zinc/92/56/02/902925602.db2.gz VGORZAUDCOJKFB-UHFFFAOYSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001404106338 902936945 /nfs/dbraw/zinc/93/69/45/902936945.db2.gz XKWXTYWFFHGNNE-GHMZBOCLSA-N 2 0 270.377 -0.750 20 0 CBADRP C[NH+]1CCC(CC(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001404208796 902956248 /nfs/dbraw/zinc/95/62/48/902956248.db2.gz MEMHSZWRJYULHO-ZDUSSCGKSA-N 2 0 296.415 -0.358 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CC(N)=O)C1 ZINC001404610651 903005953 /nfs/dbraw/zinc/00/59/53/903005953.db2.gz ZGYXBXLOFFQAGS-GFCCVEGCSA-N 2 0 284.404 -0.408 20 0 CBADRP C[NH+]1CCC(NC(=O)CSc2nc(N)cc(N)[nH+]2)CC1 ZINC001458828572 914681225 /nfs/dbraw/zinc/68/12/25/914681225.db2.gz MHHSCGWSDDDOFG-UHFFFAOYSA-N 2 0 296.400 -0.057 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001405166928 903094673 /nfs/dbraw/zinc/09/46/73/903094673.db2.gz CQNVTQBZWNFJHL-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)CC[NH+](C)C ZINC001405172609 903095612 /nfs/dbraw/zinc/09/56/12/903095612.db2.gz LZPYKFNZBFVLBD-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP CC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC(N)=O ZINC001405304999 903141850 /nfs/dbraw/zinc/14/18/50/903141850.db2.gz MYUXHDIKEWIONM-NSHDSACASA-N 2 0 286.420 -0.066 20 0 CBADRP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001405332305 903148554 /nfs/dbraw/zinc/14/85/54/903148554.db2.gz HPWHPHQZYSDVNT-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001405429068 903167203 /nfs/dbraw/zinc/16/72/03/903167203.db2.gz BDYWAJFYJYMKRA-DOMZBBRYSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(N)=O)[NH+](C)C ZINC001405673370 903199334 /nfs/dbraw/zinc/19/93/34/903199334.db2.gz QIKBEYKBYZXHAL-PWSUYJOCSA-N 2 0 272.393 -0.600 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001405723868 903207900 /nfs/dbraw/zinc/20/79/00/903207900.db2.gz VRTZPTROMLCGPV-RYUDHWBXSA-N 2 0 286.420 -0.197 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+][C@H](C)C(N)=O ZINC001405723400 903208156 /nfs/dbraw/zinc/20/81/56/903208156.db2.gz BIQQEDXWHUSYTB-WDEREUQCSA-N 2 0 282.388 -0.702 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001405720237 903208502 /nfs/dbraw/zinc/20/85/02/903208502.db2.gz QODSOIBGKXTCOW-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001405717568 903209857 /nfs/dbraw/zinc/20/98/57/903209857.db2.gz LFGBILWEXPMIAZ-RYUDHWBXSA-N 2 0 284.404 -0.443 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001405745754 903213583 /nfs/dbraw/zinc/21/35/83/903213583.db2.gz UZBFPPKJIDAUDJ-MNOVXSKESA-N 2 0 270.377 -0.974 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001405745759 903214630 /nfs/dbraw/zinc/21/46/30/903214630.db2.gz UZBFPPKJIDAUDJ-QWRGUYRKSA-N 2 0 270.377 -0.974 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001405802963 903225768 /nfs/dbraw/zinc/22/57/68/903225768.db2.gz CRIWBXRTRPVECP-QJPTWQEYSA-N 2 0 284.404 -0.491 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001405834003 903232359 /nfs/dbraw/zinc/23/23/59/903232359.db2.gz MQWSSEVZQXSKCV-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001405900137 903246084 /nfs/dbraw/zinc/24/60/84/903246084.db2.gz PADBCBOSEVWFAJ-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1)C(N)=O ZINC001405884817 903246412 /nfs/dbraw/zinc/24/64/12/903246412.db2.gz HAJIAACVRHWYOL-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H](C)C1 ZINC001405971242 903249770 /nfs/dbraw/zinc/24/97/70/903249770.db2.gz MVBOEDFNXWCECH-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H]([NH2+][C@H]1CCNC1=O)C(C)C ZINC001406075142 903263146 /nfs/dbraw/zinc/26/31/46/903263146.db2.gz NNURWCFGODJMQM-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP COC[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001406074977 903263763 /nfs/dbraw/zinc/26/37/63/903263763.db2.gz GLJMCOYQBUPXOW-OLZOCXBDSA-N 2 0 287.404 -0.522 20 0 CBADRP CN(CC[N@H+](C)CCn1cncn1)C(=O)C[NH+]1CCCC1 ZINC001406161861 903277831 /nfs/dbraw/zinc/27/78/31/903277831.db2.gz BPHVLAUKIJBEKR-UHFFFAOYSA-N 2 0 294.403 -0.236 20 0 CBADRP NC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001406192059 903290018 /nfs/dbraw/zinc/29/00/18/903290018.db2.gz NJRNQXDCUONQME-NWDGAFQWSA-N 2 0 294.399 -0.558 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001406216087 903306963 /nfs/dbraw/zinc/30/69/63/903306963.db2.gz ZOMOBAITNDTHPC-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)CCc1c[nH]cn1 ZINC001406293058 903343095 /nfs/dbraw/zinc/34/30/95/903343095.db2.gz BBUYVNJTNVMMIK-CMPLNLGQSA-N 2 0 293.371 -0.285 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001406359251 903374546 /nfs/dbraw/zinc/37/45/46/903374546.db2.gz BVLFLALHCKFEOA-YPMHNXCESA-N 2 0 296.415 -0.441 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001406409183 903394031 /nfs/dbraw/zinc/39/40/31/903394031.db2.gz VJRQEMFKOZXLAL-GHMZBOCLSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001406484743 903416182 /nfs/dbraw/zinc/41/61/82/903416182.db2.gz VAKQXZNUUIIYIN-WDEREUQCSA-N 2 0 282.388 -0.547 20 0 CBADRP CN(C(=O)CC[NH+](C)C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001459270179 914719534 /nfs/dbraw/zinc/71/95/34/914719534.db2.gz MAEGNGLKSYNOJS-LBPRGKRZSA-N 2 0 296.415 -0.441 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001406648771 903457250 /nfs/dbraw/zinc/45/72/50/903457250.db2.gz ARHDMNRNJYDMJO-MNOVXSKESA-N 2 0 272.393 -0.362 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001406764456 903474040 /nfs/dbraw/zinc/47/40/40/903474040.db2.gz SHKYWNRNPFQOAU-STQMWFEESA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001406764446 903475322 /nfs/dbraw/zinc/47/53/22/903475322.db2.gz SHKYWNRNPFQOAU-CHWSQXEVSA-N 2 0 296.415 -0.171 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001406852141 903491981 /nfs/dbraw/zinc/49/19/81/903491981.db2.gz GVNJQWOCHZKUCN-KGLIPLIRSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC001406960900 903517505 /nfs/dbraw/zinc/51/75/05/903517505.db2.gz QTXJIUXQZFKOOP-VXGBXAGGSA-N 2 0 294.399 -0.545 20 0 CBADRP COC[C@@H](O)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001406957924 903518346 /nfs/dbraw/zinc/51/83/46/903518346.db2.gz MOSOTONFBINYPL-OLZOCXBDSA-N 2 0 299.415 -0.426 20 0 CBADRP C[NH+](C)CCC(=O)NCC1([NH2+]CCS(C)(=O)=O)CC1 ZINC001406959720 903518648 /nfs/dbraw/zinc/51/86/48/903518648.db2.gz SYOTZDQVPNXEFD-UHFFFAOYSA-N 2 0 291.417 -0.779 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1)C(N)=O ZINC001406965215 903520612 /nfs/dbraw/zinc/52/06/12/903520612.db2.gz UYSUEQKIHDCKJS-SNVBAGLBSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001406985765 903522745 /nfs/dbraw/zinc/52/27/45/903522745.db2.gz HRUHYWOIIQKNHI-GHMZBOCLSA-N 2 0 282.388 -0.560 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001407006667 903524757 /nfs/dbraw/zinc/52/47/57/903524757.db2.gz MGJKMHMAZZBOBR-LLVKDONJSA-N 2 0 282.388 -0.416 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC001406986736 903526177 /nfs/dbraw/zinc/52/61/77/903526177.db2.gz JVHMKGWWXYERKL-VXGBXAGGSA-N 2 0 294.399 -0.545 20 0 CBADRP CN1CC[C@@H]([NH2+]C2(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001407012912 903526630 /nfs/dbraw/zinc/52/66/30/903526630.db2.gz LIHVGXSRRVBNMQ-NWDGAFQWSA-N 2 0 294.399 -0.593 20 0 CBADRP O=C(NC[C@]1(O)CC[N@H+](CCCF)C1)C12CC[NH+](CC1)C2 ZINC001407374301 903583481 /nfs/dbraw/zinc/58/34/81/903583481.db2.gz QMUJISKYKFFPNG-OAHLLOKOSA-N 2 0 299.390 -0.005 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@H+](CCCO)C2)CC1 ZINC001407369958 903583752 /nfs/dbraw/zinc/58/37/52/903583752.db2.gz UBIVZFNZUSDCRW-OAHLLOKOSA-N 2 0 299.415 -0.736 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001407534884 903625848 /nfs/dbraw/zinc/62/58/48/903625848.db2.gz IMQMZHWPLPELDX-RYUDHWBXSA-N 2 0 284.404 -0.502 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001407754844 903655153 /nfs/dbraw/zinc/65/51/53/903655153.db2.gz DUVFWQWJQWHRHI-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC(N)=O)CC1 ZINC001407897695 903675038 /nfs/dbraw/zinc/67/50/38/903675038.db2.gz XBLQWGTUMKBBMK-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP CN(CCC[N@H+](C)[C@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001407923421 903678370 /nfs/dbraw/zinc/67/83/70/903678370.db2.gz IOVOHZCCIBDICL-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001408003278 903691058 /nfs/dbraw/zinc/69/10/58/903691058.db2.gz BYGRZQOMPTWEOW-GXTWGEPZSA-N 2 0 285.388 -0.984 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001408092310 903709340 /nfs/dbraw/zinc/70/93/40/903709340.db2.gz LNKVWXCKKIWLDX-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(N)=O)C1 ZINC001408113103 903711968 /nfs/dbraw/zinc/71/19/68/903711968.db2.gz YOCHCBCNTNDGQE-MNOVXSKESA-N 2 0 270.377 -0.750 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001408243903 903734323 /nfs/dbraw/zinc/73/43/23/903734323.db2.gz SDDCBJFAKWOIPM-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001408303488 903747695 /nfs/dbraw/zinc/74/76/95/903747695.db2.gz RVGLLLPVGOGVES-FRRDWIJNSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001409457479 903904582 /nfs/dbraw/zinc/90/45/82/903904582.db2.gz HUVLFRKRSJRWNY-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP COC[C@H](O)C[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001409945847 903986393 /nfs/dbraw/zinc/98/63/93/903986393.db2.gz PTYSXUQXBAHCFA-DGCLKSJQSA-N 2 0 287.404 -0.618 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001410227217 904050490 /nfs/dbraw/zinc/05/04/90/904050490.db2.gz PLYLSIVRYQMSTG-HAQNSBGRSA-N 2 0 296.415 -0.441 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001410392369 904087719 /nfs/dbraw/zinc/08/77/19/904087719.db2.gz TYKJNZSAZQXHRD-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]CC(N)=O ZINC001410424900 904093655 /nfs/dbraw/zinc/09/36/55/904093655.db2.gz YGDBMNQVNKQWBI-NSHDSACASA-N 2 0 282.388 -0.463 20 0 CBADRP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC)[NH+](C)C ZINC001410427287 904095114 /nfs/dbraw/zinc/09/51/14/904095114.db2.gz AEGUAMCTGIZXNS-MNOVXSKESA-N 2 0 272.393 -0.491 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001410478825 904106847 /nfs/dbraw/zinc/10/68/47/904106847.db2.gz ATONQEJTTINSPH-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001410888181 904199947 /nfs/dbraw/zinc/19/99/47/904199947.db2.gz RMMAYQWATAAMRE-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP COCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C[C@H](C)O ZINC001411213306 904261087 /nfs/dbraw/zinc/26/10/87/904261087.db2.gz FOUNOMRFKVDCTH-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP COC[C@H](O)C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001411251492 904273108 /nfs/dbraw/zinc/27/31/08/904273108.db2.gz DEGNZICRAJVEFX-JXQTWKCFSA-N 2 0 299.415 -0.332 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+]CC(=O)N(C)C)C1 ZINC001411282346 904277409 /nfs/dbraw/zinc/27/74/09/904277409.db2.gz PDENIPPJUNJASF-UHFFFAOYSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H]1CN(C(=O)CC[N@@H+]2CC[C@H](F)C2)CCN1CCO ZINC001412050458 904431889 /nfs/dbraw/zinc/43/18/89/904431889.db2.gz KYMADZXJQZUMRU-OLZOCXBDSA-N 2 0 287.379 -0.055 20 0 CBADRP CN(CC[NH+]1CC2(C1)CCOCC2)c1nc(N)[nH+]c(N)n1 ZINC001412903191 904792027 /nfs/dbraw/zinc/79/20/27/904792027.db2.gz IGFGFWFVSKILSH-UHFFFAOYSA-N 2 0 293.375 -0.415 20 0 CBADRP CC(=O)[C@](C)(O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC001412963422 904830361 /nfs/dbraw/zinc/83/03/61/904830361.db2.gz OBCHATLEKRLVPT-CQSZACIVSA-N 2 0 271.405 -0.104 20 0 CBADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](O)COC)CC1 ZINC001413010934 904865582 /nfs/dbraw/zinc/86/55/82/904865582.db2.gz KSHIGDCQQKHPHT-ZDUSSCGKSA-N 2 0 273.421 -0.001 20 0 CBADRP CCn1nncc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC001461229762 914850698 /nfs/dbraw/zinc/85/06/98/914850698.db2.gz GZDSFGVEMRHPIC-UHFFFAOYSA-N 2 0 253.350 -0.156 20 0 CBADRP COCCN(C)C[C@H](O)C[NH2+]C1(CC(=O)OC)CC1 ZINC001414009789 905316221 /nfs/dbraw/zinc/31/62/21/905316221.db2.gz GNUFBGGTJVRDKG-LLVKDONJSA-N 2 0 274.361 -0.389 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1CCN1C(=O)CC[NH+](C)C ZINC001417078521 905861253 /nfs/dbraw/zinc/86/12/53/905861253.db2.gz XJNMSZVHWKWPEW-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001417257533 905882431 /nfs/dbraw/zinc/88/24/31/905882431.db2.gz NFRMMJLMGGHILJ-UHFFFAOYSA-N 2 0 298.431 -0.053 20 0 CBADRP CN(C(=O)CC[NH+](C)C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001417277395 905886361 /nfs/dbraw/zinc/88/63/61/905886361.db2.gz AQXRZIZLUUZXAV-UHFFFAOYSA-N 2 0 284.404 -0.441 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001417801795 906057094 /nfs/dbraw/zinc/05/70/94/906057094.db2.gz MYZXMVODZXHSHG-CYDGBPFRSA-N 2 0 296.415 -0.443 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001417799739 906057128 /nfs/dbraw/zinc/05/71/28/906057128.db2.gz PVLJKOZFRGGQKT-IHRRRGAJSA-N 2 0 299.415 -0.426 20 0 CBADRP C[N@H+](CC(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1)C1CCC1 ZINC001417980265 906130152 /nfs/dbraw/zinc/13/01/52/906130152.db2.gz ALLSIULKJWNIAM-GFCCVEGCSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]([NH2+]CCO)C1CC1 ZINC001418010678 906136051 /nfs/dbraw/zinc/13/60/51/906136051.db2.gz APZFRODPSHKJGU-OCCSQVGLSA-N 2 0 299.415 -0.569 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001418047901 906145796 /nfs/dbraw/zinc/14/57/96/906145796.db2.gz CFZKZDRHOBGPNC-AVGNSLFASA-N 2 0 294.399 -0.404 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001418052107 906148071 /nfs/dbraw/zinc/14/80/71/906148071.db2.gz VDGBOBVIDWPAJF-STQMWFEESA-N 2 0 298.431 -0.006 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001418069018 906154268 /nfs/dbraw/zinc/15/42/68/906154268.db2.gz SZTSKTRCXFVJMW-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001418064222 906154881 /nfs/dbraw/zinc/15/48/81/906154881.db2.gz KQFGHZSFPGUQMQ-MGPQQGTHSA-N 2 0 299.415 -0.428 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001418063449 906155690 /nfs/dbraw/zinc/15/56/90/906155690.db2.gz DWIAEEWKLUFWKO-JOCQHMNTSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001418066122 906155998 /nfs/dbraw/zinc/15/59/98/906155998.db2.gz ZCECHJDIBDVJQJ-KKOKHZNYSA-N 2 0 282.388 -0.548 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001418074570 906158120 /nfs/dbraw/zinc/15/81/20/906158120.db2.gz COKRSGOSKGPGSR-XJFOESAGSA-N 2 0 299.415 -0.428 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1)C(N)=O ZINC001418113032 906171311 /nfs/dbraw/zinc/17/13/11/906171311.db2.gz JMEXAUKHKLSACG-UPJWGTAASA-N 2 0 296.415 -0.027 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001418137851 906180234 /nfs/dbraw/zinc/18/02/34/906180234.db2.gz NZGVSHVXRIBGLB-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001418189976 906194023 /nfs/dbraw/zinc/19/40/23/906194023.db2.gz DPGCZFKHBVEVDH-UHFFFAOYSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@H](C)C(N)=O ZINC001418232305 906228738 /nfs/dbraw/zinc/22/87/38/906228738.db2.gz CVUJDOVDCVLOSZ-NXEZZACHSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001418267845 906247210 /nfs/dbraw/zinc/24/72/10/906247210.db2.gz SXKJEXFBGRMDBJ-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP C[N@H+](CC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@@H]1CCC[C@H]1O ZINC001418278051 906252585 /nfs/dbraw/zinc/25/25/85/906252585.db2.gz JTBFWUMYCAUSKW-REWJHTLYSA-N 2 0 297.399 -0.891 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001418284013 906258644 /nfs/dbraw/zinc/25/86/44/906258644.db2.gz ZOVRYWAEKQHRQS-LLVKDONJSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@@H]([NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001418319792 906277650 /nfs/dbraw/zinc/27/76/50/906277650.db2.gz TWQRUTNRAKHIRI-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001418347032 906290273 /nfs/dbraw/zinc/29/02/73/906290273.db2.gz CDIUIRHJVUYMLF-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001418362770 906295342 /nfs/dbraw/zinc/29/53/42/906295342.db2.gz UVUUIFZBQXSDBJ-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001418356911 906296738 /nfs/dbraw/zinc/29/67/38/906296738.db2.gz NHRMPNUBNKOMPG-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@H]1CCNC1=O ZINC001418415282 906312409 /nfs/dbraw/zinc/31/24/09/906312409.db2.gz BBEKBERRYBJEPO-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001418407852 906312757 /nfs/dbraw/zinc/31/27/57/906312757.db2.gz OVVLRENETDHFTL-GHMZBOCLSA-N 2 0 297.407 -0.465 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001418418190 906315954 /nfs/dbraw/zinc/31/59/54/906315954.db2.gz ASEXQLJNCYRSFT-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001418432245 906320383 /nfs/dbraw/zinc/32/03/83/906320383.db2.gz HZHGAFHSNQORND-GHMZBOCLSA-N 2 0 270.377 -0.832 20 0 CBADRP CCCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001418433592 906320855 /nfs/dbraw/zinc/32/08/55/906320855.db2.gz SGMYJJBAWCXWIF-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)CCC(=O)NCC[N@H+](C)CCN1CCNC1=O ZINC001418492119 906363319 /nfs/dbraw/zinc/36/33/19/906363319.db2.gz MZYNLMWSVNWHOD-UHFFFAOYSA-N 2 0 285.392 -0.989 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC001418539016 906402423 /nfs/dbraw/zinc/40/24/23/906402423.db2.gz HQSPRUOLMJVECO-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001418662850 906443689 /nfs/dbraw/zinc/44/36/89/906443689.db2.gz VWZCNIPBQATXFS-PHIMTYICSA-N 2 0 270.377 -0.702 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001418704195 906454456 /nfs/dbraw/zinc/45/44/56/906454456.db2.gz LHDGVZLIHOMAKG-HAQNSBGRSA-N 2 0 282.388 -0.687 20 0 CBADRP O=C(CC[NH+]1CC[C@H](F)C1)NCC[N@H+]1CC[C@H](O)C1 ZINC001418809664 906479702 /nfs/dbraw/zinc/47/97/02/906479702.db2.gz VLAQVOZXVUUVTA-RYUDHWBXSA-N 2 0 273.352 -0.397 20 0 CBADRP CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001418817102 906483029 /nfs/dbraw/zinc/48/30/29/906483029.db2.gz QZAZVZKHTNVGCC-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001418831899 906491341 /nfs/dbraw/zinc/49/13/41/906491341.db2.gz PQXBKZQZNHPPMV-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP CCN1CC[C@H]([NH2+]CCN(C)C(=O)C[NH+]2CCCC2)C1=O ZINC001418834901 906493389 /nfs/dbraw/zinc/49/33/89/906493389.db2.gz UGXRLAFCWMVLJO-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC[C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001418901836 906510013 /nfs/dbraw/zinc/51/00/13/906510013.db2.gz LIFDMFQLQSCEIE-LBPRGKRZSA-N 2 0 296.415 -0.358 20 0 CBADRP C[N@@H+](CC(N)=O)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001418939660 906524442 /nfs/dbraw/zinc/52/44/42/906524442.db2.gz FRBUGUBLULWCGB-CYBMUJFWSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC2CN(CC(=O)N(C)C)C2)C1 ZINC001419030460 906569578 /nfs/dbraw/zinc/56/95/78/906569578.db2.gz BRWFHHPOZDCKLY-GFCCVEGCSA-N 2 0 296.415 -0.536 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001419075486 906587332 /nfs/dbraw/zinc/58/73/32/906587332.db2.gz DVLRSURKGRJMRR-AGIUHOORSA-N 2 0 285.388 -0.722 20 0 CBADRP COCC[NH+]1CCN(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001419131796 906606395 /nfs/dbraw/zinc/60/63/95/906606395.db2.gz NRMOSZQSBNQSNE-UHFFFAOYSA-N 2 0 298.431 -0.538 20 0 CBADRP COCC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001419133094 906607864 /nfs/dbraw/zinc/60/78/64/906607864.db2.gz GJEGJMAYZKCCNQ-CQSZACIVSA-N 2 0 298.431 -0.539 20 0 CBADRP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC(N)=O ZINC001419236881 906645459 /nfs/dbraw/zinc/64/54/59/906645459.db2.gz OBDBNRWBICUBCB-GFCCVEGCSA-N 2 0 284.404 -0.312 20 0 CBADRP Cn1nncc1C[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001419286373 906655582 /nfs/dbraw/zinc/65/55/82/906655582.db2.gz XEFOBJMINXZJOT-ZDUSSCGKSA-N 2 0 294.403 -0.249 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]([NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001419286722 906656107 /nfs/dbraw/zinc/65/61/07/906656107.db2.gz YMZPJOYTRHZFPL-OLZOCXBDSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]([NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001419286730 906656403 /nfs/dbraw/zinc/65/64/03/906656403.db2.gz YMZPJOYTRHZFPL-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001419368642 906671895 /nfs/dbraw/zinc/67/18/95/906671895.db2.gz ZCCDYFNPKKMPPX-BFHYXJOUSA-N 2 0 299.415 -0.332 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001419394628 906676392 /nfs/dbraw/zinc/67/63/92/906676392.db2.gz XUFRMNRRYGLEIE-AVGNSLFASA-N 2 0 296.415 -0.158 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1)C(N)=O ZINC001419433566 906686291 /nfs/dbraw/zinc/68/62/91/906686291.db2.gz FDVWLCBJJOPDON-AVGNSLFASA-N 2 0 296.415 -0.027 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001419432990 906686596 /nfs/dbraw/zinc/68/65/96/906686596.db2.gz RUEMFBHTLJZHKO-JOCQHMNTSA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001419439264 906688585 /nfs/dbraw/zinc/68/85/85/906688585.db2.gz PKGJFYSUKNFWHA-HAQNSBGRSA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CC(=O)N(C)C ZINC001419500907 906703435 /nfs/dbraw/zinc/70/34/35/906703435.db2.gz GOSFNNIHNKSHJX-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001419493913 906705609 /nfs/dbraw/zinc/70/56/09/906705609.db2.gz YUVQCAVCNIVOAW-TUAOUCFPSA-N 2 0 282.388 -0.594 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001419504205 906708515 /nfs/dbraw/zinc/70/85/15/906708515.db2.gz BUKJPBOCARLDRC-SDDRHHMPSA-N 2 0 282.388 -0.737 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001419519685 906710508 /nfs/dbraw/zinc/71/05/08/906710508.db2.gz NQJURVKHCZESIU-XQHKEYJVSA-N 2 0 296.415 -0.206 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001419520705 906713773 /nfs/dbraw/zinc/71/37/73/906713773.db2.gz XIQSQWKCZBNWTI-ZOWXZIJZSA-N 2 0 294.399 -0.545 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001419537525 906716804 /nfs/dbraw/zinc/71/68/04/906716804.db2.gz DUXBXNUAOCKDCM-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1cnnn1C ZINC001419552016 906721632 /nfs/dbraw/zinc/72/16/32/906721632.db2.gz WYPMEQKABTVIOJ-LBPRGKRZSA-N 2 0 294.403 -0.247 20 0 CBADRP C[N@H+](CC(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001419560192 906727646 /nfs/dbraw/zinc/72/76/46/906727646.db2.gz HCJQVBUHAVNBKB-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001419572568 906732334 /nfs/dbraw/zinc/73/23/34/906732334.db2.gz SNWMYWNAQMHBLE-STQMWFEESA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)CCC[NH+](C)C ZINC001419705716 906772866 /nfs/dbraw/zinc/77/28/66/906772866.db2.gz RPVKPVWXIJTCHW-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001419714319 906778661 /nfs/dbraw/zinc/77/86/61/906778661.db2.gz SFTFJXUURYAVHA-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001419714335 906780073 /nfs/dbraw/zinc/78/00/73/906780073.db2.gz SFTFJXUURYAVHA-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cnnn1C ZINC001419717123 906783455 /nfs/dbraw/zinc/78/34/55/906783455.db2.gz VZJSNKNKLZSDRT-JQWIXIFHSA-N 2 0 280.376 -0.496 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001419736750 906793520 /nfs/dbraw/zinc/79/35/20/906793520.db2.gz ALPJQOQCAYKAAB-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001419740914 906798215 /nfs/dbraw/zinc/79/82/15/906798215.db2.gz NNXFKUKNHAULNM-JHJVBQTASA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1cnnn1C ZINC001419765878 906806572 /nfs/dbraw/zinc/80/65/72/906806572.db2.gz BZRKAQMUKJTCQU-LLVKDONJSA-N 2 0 294.403 -0.106 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001419800692 906819849 /nfs/dbraw/zinc/81/98/49/906819849.db2.gz RZRGOFZQHNVHCA-STQMWFEESA-N 2 0 298.431 -0.195 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@H](C)C1 ZINC001419825560 906822606 /nfs/dbraw/zinc/82/26/06/906822606.db2.gz QEVVEAFESFWOMG-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)[C@H](C)C1 ZINC001419825554 906824744 /nfs/dbraw/zinc/82/47/44/906824744.db2.gz QEVVEAFESFWOMG-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C(C)C)[NH+](C)C ZINC001419947841 906870222 /nfs/dbraw/zinc/87/02/22/906870222.db2.gz UCMCBCPFFGYMAB-DGCLKSJQSA-N 2 0 286.420 -0.212 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001419969279 906881796 /nfs/dbraw/zinc/88/17/96/906881796.db2.gz VPIKVQFTMAOKRA-LBPRGKRZSA-N 2 0 282.388 -0.593 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001419996126 906889398 /nfs/dbraw/zinc/88/93/98/906889398.db2.gz OZCKHMLTNVCAIO-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001419991788 906890542 /nfs/dbraw/zinc/89/05/42/906890542.db2.gz LFVCSGJAGFNVJD-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001420010507 906895877 /nfs/dbraw/zinc/89/58/77/906895877.db2.gz IDSNOHISBMRZLL-OLZOCXBDSA-N 2 0 296.415 -0.347 20 0 CBADRP NC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001420085343 906922270 /nfs/dbraw/zinc/92/22/70/906922270.db2.gz NNTLUFISYULBRS-RYUDHWBXSA-N 2 0 282.388 -0.558 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001420085379 906923808 /nfs/dbraw/zinc/92/38/08/906923808.db2.gz NRFCAADQLRMFEB-OLZOCXBDSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH+]1CCC(OCC(=O)N2CC([NH2+][C@H]3CCOC3)C2)CC1 ZINC001420140135 906965335 /nfs/dbraw/zinc/96/53/35/906965335.db2.gz BRRAMBNLKVSFMH-LBPRGKRZSA-N 2 0 297.399 -0.314 20 0 CBADRP COC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001420142390 906968530 /nfs/dbraw/zinc/96/85/30/906968530.db2.gz QFXGDZPZXOZAJU-VXGBXAGGSA-N 2 0 287.404 -0.428 20 0 CBADRP Cc1oncc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001420165400 906979574 /nfs/dbraw/zinc/97/95/74/906979574.db2.gz BMTIEOWIFIAXGJ-QWHCGFSZSA-N 2 0 296.371 -0.356 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)CC[NH+]1CCCCC1 ZINC001420211567 907019216 /nfs/dbraw/zinc/01/92/16/907019216.db2.gz KPTORFZEWUDIMM-OLZOCXBDSA-N 2 0 287.404 -0.690 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001420245702 907041975 /nfs/dbraw/zinc/04/19/75/907041975.db2.gz YEGDGKMSKMLYIT-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)C[NH+]1CCCC1 ZINC001420251307 907051134 /nfs/dbraw/zinc/05/11/34/907051134.db2.gz LQBOTKSFLLWJPW-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001420352438 907117487 /nfs/dbraw/zinc/11/74/87/907117487.db2.gz PDEHRJYEJPOBNL-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001420352436 907118261 /nfs/dbraw/zinc/11/82/61/907118261.db2.gz PDEHRJYEJPOBNL-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001420368152 907122342 /nfs/dbraw/zinc/12/23/42/907122342.db2.gz CANXBJZZFCCKLC-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420372275 907124403 /nfs/dbraw/zinc/12/44/03/907124403.db2.gz QBRLNEREWCMRSR-UTUOFQBUSA-N 2 0 273.377 -0.960 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001420364621 907124564 /nfs/dbraw/zinc/12/45/64/907124564.db2.gz FQQHMIYNEAYYII-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001420449437 907167097 /nfs/dbraw/zinc/16/70/97/907167097.db2.gz UFLDCKBUBWQSNF-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420457217 907170519 /nfs/dbraw/zinc/17/05/19/907170519.db2.gz IMZRXLWEFGSBRG-WDEREUQCSA-N 2 0 282.388 -0.689 20 0 CBADRP CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001420461260 907175281 /nfs/dbraw/zinc/17/52/81/907175281.db2.gz AZBJCMPOXWTQQY-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001420467521 907175720 /nfs/dbraw/zinc/17/57/20/907175720.db2.gz HWVDFQQKUYJVNP-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP NC(=O)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001420693617 907271336 /nfs/dbraw/zinc/27/13/36/907271336.db2.gz SUURMIXHQSAYMP-STQMWFEESA-N 2 0 296.415 -0.168 20 0 CBADRP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001420744550 907290174 /nfs/dbraw/zinc/29/01/74/907290174.db2.gz OZBGINKDVXOCMM-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001420947601 907371359 /nfs/dbraw/zinc/37/13/59/907371359.db2.gz PSEHCUXDEBTQFG-NEPJUHHUSA-N 2 0 284.404 -0.408 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CC1)C(N)=O ZINC001420980993 907382152 /nfs/dbraw/zinc/38/21/52/907382152.db2.gz NXJPMLCQMGDHSK-NSHDSACASA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CCCN(CC(=O)NC2CC2)C1 ZINC001421002112 907385679 /nfs/dbraw/zinc/38/56/79/907385679.db2.gz CRSPFAPKUWITPI-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+][C@@H](C)C(N)=O)CC1 ZINC001421007156 907389930 /nfs/dbraw/zinc/38/99/30/907389930.db2.gz VUHYMZYCWNNJKP-NWDGAFQWSA-N 2 0 296.415 -0.027 20 0 CBADRP CC[C@H]([NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CC1)C(N)=O ZINC001421006039 907390587 /nfs/dbraw/zinc/39/05/87/907390587.db2.gz QJYJVPXVWLGLNW-NSHDSACASA-N 2 0 284.404 -0.171 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001421119586 907435505 /nfs/dbraw/zinc/43/55/05/907435505.db2.gz BMLUCYYUCCATHK-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1)C(N)=O ZINC001421124903 907438178 /nfs/dbraw/zinc/43/81/78/907438178.db2.gz KBYYPHYUEPJBTA-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[C@H]([NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1)C(N)=O ZINC001421124906 907440320 /nfs/dbraw/zinc/44/03/20/907440320.db2.gz KBYYPHYUEPJBTA-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP CNC(=O)CN1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001421306696 907484613 /nfs/dbraw/zinc/48/46/13/907484613.db2.gz AQSCYBMRKKUHRR-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@]1(CNC(=O)C[NH+]2CCCC2)CCCN(CC(N)=O)C1 ZINC001421293326 907486051 /nfs/dbraw/zinc/48/60/51/907486051.db2.gz HKAYKNTUBPWFND-OAHLLOKOSA-N 2 0 296.415 -0.214 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001421356383 907507435 /nfs/dbraw/zinc/50/74/35/907507435.db2.gz ZHBGFFKCDCJYNA-DZGCQCFKSA-N 2 0 299.415 -0.596 20 0 CBADRP CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001421393345 907523165 /nfs/dbraw/zinc/52/31/65/907523165.db2.gz RZFZELYYXRPEPQ-ZFWWWQNUSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001502074491 921331715 /nfs/dbraw/zinc/33/17/15/921331715.db2.gz INPYBONLZUGQKN-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001421448812 907552740 /nfs/dbraw/zinc/55/27/40/907552740.db2.gz HVTDYXOBHSCCEC-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(C)C ZINC001421488715 907567572 /nfs/dbraw/zinc/56/75/72/907567572.db2.gz INLUGEGNBPTXBD-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001421652344 907602988 /nfs/dbraw/zinc/60/29/88/907602988.db2.gz YIZRFECQSCGKPE-GFCCVEGCSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(=O)N(C)C ZINC001421688359 907614438 /nfs/dbraw/zinc/61/44/38/907614438.db2.gz DMMKCZCFCBZMOO-JHJVBQTASA-N 2 0 298.431 -0.243 20 0 CBADRP CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001421715750 907624763 /nfs/dbraw/zinc/62/47/63/907624763.db2.gz HHVSXYWHTJCUBK-DGCLKSJQSA-N 2 0 296.419 -0.003 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001421722181 907625237 /nfs/dbraw/zinc/62/52/37/907625237.db2.gz QTBOPGAUQBBMMJ-WCQYABFASA-N 2 0 296.419 -0.003 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001421751061 907632547 /nfs/dbraw/zinc/63/25/47/907632547.db2.gz VYGGZMAWAOZGIW-NEPJUHHUSA-N 2 0 298.431 -0.195 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001421751065 907633848 /nfs/dbraw/zinc/63/38/48/907633848.db2.gz VYGGZMAWAOZGIW-RYUDHWBXSA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1cnnn1C ZINC001421764183 907635047 /nfs/dbraw/zinc/63/50/47/907635047.db2.gz CZXURGVPPRIHEQ-NEPJUHHUSA-N 2 0 294.403 -0.391 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001421932421 907681198 /nfs/dbraw/zinc/68/11/98/907681198.db2.gz SRHLXJCFEZHVNU-LLVKDONJSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001421947626 907688190 /nfs/dbraw/zinc/68/81/90/907688190.db2.gz VFSSHAANCIEVRB-WDEREUQCSA-N 2 0 270.377 -0.750 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001421947617 907688352 /nfs/dbraw/zinc/68/83/52/907688352.db2.gz VFSSHAANCIEVRB-GHMZBOCLSA-N 2 0 270.377 -0.750 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001421985225 907698034 /nfs/dbraw/zinc/69/80/34/907698034.db2.gz DYIRPZGKMVJWIA-WDEREUQCSA-N 2 0 270.377 -0.750 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@](CO)([NH2+]CCO)C2)C1 ZINC001421984624 907699577 /nfs/dbraw/zinc/69/95/77/907699577.db2.gz GXHYKKNQMZUALS-HIFRSBDPSA-N 2 0 299.415 -0.736 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001422042408 907706131 /nfs/dbraw/zinc/70/61/31/907706131.db2.gz DOHKWYIIFKCCAY-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CCn1cncn1 ZINC001422066570 907711510 /nfs/dbraw/zinc/71/15/10/907711510.db2.gz RUVDODGGLBJWLJ-OLZOCXBDSA-N 2 0 294.403 -0.334 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001422166132 907733316 /nfs/dbraw/zinc/73/33/16/907733316.db2.gz AMRVYQOUYZZTII-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)C(N)=O)[NH+](C)C ZINC001422159549 907733829 /nfs/dbraw/zinc/73/38/29/907733829.db2.gz FVHNEHDUHAIXNH-AXFHLTTASA-N 2 0 272.393 -0.315 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]CC(=O)N(C)C ZINC001422172043 907739134 /nfs/dbraw/zinc/73/91/34/907739134.db2.gz IOWQQFITMPTIFN-LBPRGKRZSA-N 2 0 286.420 -0.101 20 0 CBADRP Cc1oncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001422261448 907762378 /nfs/dbraw/zinc/76/23/78/907762378.db2.gz BMTIEOWIFIAXGJ-STQMWFEESA-N 2 0 296.371 -0.356 20 0 CBADRP C[N@H+](CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCOC1)C1CCC1 ZINC001422321123 907797646 /nfs/dbraw/zinc/79/76/46/907797646.db2.gz WPXRQGYGTOBIMD-JSGCOSHPSA-N 2 0 299.415 -0.426 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001422415841 907850300 /nfs/dbraw/zinc/85/03/00/907850300.db2.gz CQBUQXHXVBMQTO-MNOVXSKESA-N 2 0 272.393 -0.443 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CC[N@H+](C)CC ZINC001422456654 907867827 /nfs/dbraw/zinc/86/78/27/907867827.db2.gz ZJWCTMPNPVABED-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001422472677 907875059 /nfs/dbraw/zinc/87/50/59/907875059.db2.gz VXYQDFIXLRNPIM-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(N)=O ZINC001422494222 907892564 /nfs/dbraw/zinc/89/25/64/907892564.db2.gz JHSOMWHVAMGAEP-MNOVXSKESA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001422583489 907928900 /nfs/dbraw/zinc/92/89/00/907928900.db2.gz VWTULEAHPTUUBD-LLVKDONJSA-N 2 0 296.415 -0.312 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001422592819 907937551 /nfs/dbraw/zinc/93/75/51/907937551.db2.gz XYOPUBPUCXOPOK-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001422592008 907938451 /nfs/dbraw/zinc/93/84/51/907938451.db2.gz UXWKWIXAJOVKPR-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001422654211 907968988 /nfs/dbraw/zinc/96/89/88/907968988.db2.gz ZBTGYTHXDLZLSX-QNWHQSFQSA-N 2 0 287.404 -0.572 20 0 CBADRP CC[C@H]([NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001422733822 907991029 /nfs/dbraw/zinc/99/10/29/907991029.db2.gz LPZJAOAVPRFBLE-QWRGUYRKSA-N 2 0 282.388 -0.560 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CCCO)C2)C1 ZINC001502599467 921370691 /nfs/dbraw/zinc/37/06/91/921370691.db2.gz ADYOIWBVWBGXFE-DZGCQCFKSA-N 2 0 299.415 -0.736 20 0 CBADRP CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21)[NH+](C)C ZINC001422837542 908028871 /nfs/dbraw/zinc/02/88/71/908028871.db2.gz IFACEUWIYGEDKO-FVCCEPFGSA-N 2 0 296.415 -0.633 20 0 CBADRP COCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001502616652 921373167 /nfs/dbraw/zinc/37/31/67/921373167.db2.gz VHUZNSWWJQSLNM-ZDUSSCGKSA-N 2 0 299.415 -0.018 20 0 CBADRP C[C@H](C[N@H+](C)[C@@H]1CCCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001422929374 908055873 /nfs/dbraw/zinc/05/58/73/908055873.db2.gz GGZLMTDQLAHICH-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](C[N@H+](C)[C@@H]1CCCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001422929377 908056526 /nfs/dbraw/zinc/05/65/26/908056526.db2.gz GGZLMTDQLAHICH-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001422917186 908060336 /nfs/dbraw/zinc/06/03/36/908060336.db2.gz KIQFASNZBIGZTD-SRVKXCTJSA-N 2 0 284.404 -0.315 20 0 CBADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O ZINC001423046298 908090531 /nfs/dbraw/zinc/09/05/31/908090531.db2.gz ADWKYPHCWKPPRO-NEPJUHHUSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@@H]([NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1)C(N)=O ZINC001423060199 908093570 /nfs/dbraw/zinc/09/35/70/908093570.db2.gz NKQVWINWYKPIBK-PWSUYJOCSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H]([NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1)C(N)=O ZINC001423060193 908093657 /nfs/dbraw/zinc/09/36/57/908093657.db2.gz NKQVWINWYKPIBK-JQWIXIFHSA-N 2 0 282.388 -0.560 20 0 CBADRP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001423080321 908103338 /nfs/dbraw/zinc/10/33/38/908103338.db2.gz SMXFNMXITQRIGT-VXGBXAGGSA-N 2 0 286.420 -0.149 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001423239001 908173689 /nfs/dbraw/zinc/17/36/89/908173689.db2.gz CMLMGTUDSHBGGY-NEPJUHHUSA-N 2 0 296.415 -0.027 20 0 CBADRP Cn1nncc1C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001423304814 908197997 /nfs/dbraw/zinc/19/79/97/908197997.db2.gz UYSXGIUNJAKDJY-LLVKDONJSA-N 2 0 292.387 -0.495 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001423339454 908206326 /nfs/dbraw/zinc/20/63/26/908206326.db2.gz IFUCTWSTPUDXPO-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001423339449 908207143 /nfs/dbraw/zinc/20/71/43/908207143.db2.gz IFUCTWSTPUDXPO-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(C[C@@H](O)C[NH2+]Cc1ccccn1)C(=O)CC[NH+](C)C ZINC001423464045 908247931 /nfs/dbraw/zinc/24/79/31/908247931.db2.gz DTVUKDDNHDIKTI-AWEZNQCLSA-N 2 0 294.399 -0.058 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O)[NH+](C)C ZINC001423484054 908250381 /nfs/dbraw/zinc/25/03/81/908250381.db2.gz NRQQZMOVGBWUDC-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001423592098 908290434 /nfs/dbraw/zinc/29/04/34/908290434.db2.gz JICLSXRFLGFEKR-HIFRSBDPSA-N 2 0 299.415 -0.330 20 0 CBADRP COCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@H](C)O ZINC001423641221 908300315 /nfs/dbraw/zinc/30/03/15/908300315.db2.gz LAWQJEKCFMELJD-QWHCGFSZSA-N 2 0 287.404 -0.617 20 0 CBADRP CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001423672827 908301585 /nfs/dbraw/zinc/30/15/85/908301585.db2.gz IXOCASZPCWMWMG-WXRRBKDZSA-N 2 0 296.415 -0.204 20 0 CBADRP CCN1CCO[C@@H](C(=O)NCC2([NH2+]C[C@@H](C)O)CCC2)C1 ZINC001424212881 908422621 /nfs/dbraw/zinc/42/26/21/908422621.db2.gz GPNFSMLICAZXEL-CHWSQXEVSA-N 2 0 299.415 -0.284 20 0 CBADRP CN(C)C(=O)C[NH2+]C1(CNC(=O)Cc2c[nH]cn2)CCC1 ZINC001424205002 908423933 /nfs/dbraw/zinc/42/39/33/908423933.db2.gz HHBXQIRUNBGVRR-UHFFFAOYSA-N 2 0 293.371 -0.331 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001424404492 908453992 /nfs/dbraw/zinc/45/39/92/908453992.db2.gz IFODKVWQGKGLEP-AWEZNQCLSA-N 2 0 285.388 -0.982 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)C1 ZINC001424408313 908454333 /nfs/dbraw/zinc/45/43/33/908454333.db2.gz IRGSZQSKGHOMLF-UKRRQHHQSA-N 2 0 299.415 -0.736 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001424480583 908464308 /nfs/dbraw/zinc/46/43/08/908464308.db2.gz NMCGXKSSYDDYQN-RYUDHWBXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC2(CO)CC[NH+](CCO)CC2)C1 ZINC001424656821 908483468 /nfs/dbraw/zinc/48/34/68/908483468.db2.gz HQBRDZHOJRQBMX-ZDUSSCGKSA-N 2 0 299.415 -0.736 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001424793194 908506884 /nfs/dbraw/zinc/50/68/84/908506884.db2.gz SLVOERWMPVKCGI-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001424802390 908508384 /nfs/dbraw/zinc/50/83/84/908508384.db2.gz GYMBSDFVTRWXED-MNOVXSKESA-N 2 0 286.420 -0.068 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001424815192 908508540 /nfs/dbraw/zinc/50/85/40/908508540.db2.gz DXAZJZYJDVJNRP-MNOVXSKESA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001424839536 908516331 /nfs/dbraw/zinc/51/63/31/908516331.db2.gz JJDQRTVEIJNTHE-RYUDHWBXSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@@H]1CCNC1=O ZINC001425009419 908550146 /nfs/dbraw/zinc/55/01/46/908550146.db2.gz JZXCSWIPCZCALF-GHMZBOCLSA-N 2 0 270.377 -0.737 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@@H]1CCNC1=O ZINC001425047815 908559184 /nfs/dbraw/zinc/55/91/84/908559184.db2.gz ACOJMNWXBGRPFB-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[C@@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001425166752 908580762 /nfs/dbraw/zinc/58/07/62/908580762.db2.gz VGRUQJGIPMIPOV-QWHCGFSZSA-N 2 0 298.431 -0.114 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CCO)C1 ZINC001425353912 908627799 /nfs/dbraw/zinc/62/77/99/908627799.db2.gz DQUXYZWKMYVOGY-QWHCGFSZSA-N 2 0 287.404 -0.476 20 0 CBADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001425505464 908661264 /nfs/dbraw/zinc/66/12/64/908661264.db2.gz IYSNXTRFBJXAAW-OLZOCXBDSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1)C(N)=O ZINC001425509194 908664447 /nfs/dbraw/zinc/66/44/47/908664447.db2.gz WYHRORCBWOTQOZ-AAEUAGOBSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N(C)C ZINC001425548234 908672891 /nfs/dbraw/zinc/67/28/91/908672891.db2.gz PODDTMMWVHIQPT-RYUDHWBXSA-N 2 0 284.404 -0.395 20 0 CBADRP C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]CC(=O)N(C)C ZINC001425623641 908682948 /nfs/dbraw/zinc/68/29/48/908682948.db2.gz DPXRCOGNDQWTKW-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP C[C@@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]CC(=O)N(C)C ZINC001425623644 908684603 /nfs/dbraw/zinc/68/46/03/908684603.db2.gz DPXRCOGNDQWTKW-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001425656578 908686994 /nfs/dbraw/zinc/68/69/94/908686994.db2.gz OJXZYBLKTANZQO-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@H](C)C(N)=O ZINC001425666312 908689045 /nfs/dbraw/zinc/68/90/45/908689045.db2.gz UVFUGVIPJCGSAM-WDEREUQCSA-N 2 0 272.393 -0.362 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC001425666305 908689692 /nfs/dbraw/zinc/68/96/92/908689692.db2.gz UVFUGVIPJCGSAM-QWRGUYRKSA-N 2 0 272.393 -0.362 20 0 CBADRP O=C(NC1CC(C[NH2+]CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001505497995 921431256 /nfs/dbraw/zinc/43/12/56/921431256.db2.gz XYAYEOWWUBQKCB-UBHUBRDASA-N 2 0 281.400 -0.195 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCCO)C1 ZINC001505488073 921431662 /nfs/dbraw/zinc/43/16/62/921431662.db2.gz WMDXOLLYIHEDBH-BPCQOVAHSA-N 2 0 269.389 -0.053 20 0 CBADRP CC(C)(C(=O)NC1CC(C[NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001505510515 921433719 /nfs/dbraw/zinc/43/37/19/921433719.db2.gz MGXAIBLOEXAFJG-UHFFFAOYSA-N 2 0 296.415 -0.170 20 0 CBADRP O=C(NC[C@H](CO)[NH2+]CCO)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001425751193 908725887 /nfs/dbraw/zinc/72/58/87/908725887.db2.gz IVAPVLIYUJSSOK-OCCSQVGLSA-N 2 0 299.415 -0.548 20 0 CBADRP C[C@H](O)C[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001505536289 921435983 /nfs/dbraw/zinc/43/59/83/921435983.db2.gz SXYLRYUXZJENJV-HIFPTAJRSA-N 2 0 269.389 -0.053 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001425881306 908771580 /nfs/dbraw/zinc/77/15/80/908771580.db2.gz JXMIZYFZWNSJBD-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)[C@H]1C ZINC001425883418 908775895 /nfs/dbraw/zinc/77/58/95/908775895.db2.gz DQEFVMUHIMRXFH-CHWSQXEVSA-N 2 0 298.431 -0.006 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001425917570 908783138 /nfs/dbraw/zinc/78/31/38/908783138.db2.gz ONPLISFYZCBUSY-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001425978969 908793090 /nfs/dbraw/zinc/79/30/90/908793090.db2.gz XFRRXNQBMXXDBK-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001426076882 908822959 /nfs/dbraw/zinc/82/29/59/908822959.db2.gz KLUGHLXWQYPZTQ-KBPBESRZSA-N 2 0 299.415 -0.928 20 0 CBADRP CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001426238046 908851066 /nfs/dbraw/zinc/85/10/66/908851066.db2.gz JGWWHPSBDHBVSB-UNXYVOJBSA-N 2 0 282.388 -0.737 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001505682590 921468096 /nfs/dbraw/zinc/46/80/96/921468096.db2.gz UIIPPLQSTUWXLE-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001430205568 909311911 /nfs/dbraw/zinc/31/19/11/909311911.db2.gz CYRWWTHNUQZRKB-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP CN(CCNC(=O)CCC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001431471191 909477815 /nfs/dbraw/zinc/47/78/15/909477815.db2.gz GTQJGKKWUYQVGH-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)[C@@H]1CCNC1=O ZINC001505936249 921506457 /nfs/dbraw/zinc/50/64/57/921506457.db2.gz XRMSBMFVGPAVHY-VXGBXAGGSA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC1CN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001432274164 909601582 /nfs/dbraw/zinc/60/15/82/909601582.db2.gz SVXKLQGEEXBJMQ-ZDUSSCGKSA-N 2 0 296.415 -0.252 20 0 CBADRP CC[N@H+](C)CCC(=O)NC1CN(C(=O)C[NH+](C)C(C)C)C1 ZINC001432349112 909610523 /nfs/dbraw/zinc/61/05/23/909610523.db2.gz QPWCHTKWYVGPHZ-UHFFFAOYSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001506070410 921532393 /nfs/dbraw/zinc/53/23/93/921532393.db2.gz ODRWRGRGWKQXKE-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@H]1CCNC1=O ZINC001506065069 921534172 /nfs/dbraw/zinc/53/41/72/921534172.db2.gz IPAZYADSWGGIGG-NEPJUHHUSA-N 2 0 284.404 -0.348 20 0 CBADRP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC([NH2+][C@H]3CCOC3)C2)C1 ZINC001434383602 910143871 /nfs/dbraw/zinc/14/38/71/910143871.db2.gz HIXVTMSLGSNQGQ-SWLSCSKDSA-N 2 0 297.399 -0.578 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001436368009 910433378 /nfs/dbraw/zinc/43/33/78/910433378.db2.gz VHGGCGNXOVYKFW-MCIONIFRSA-N 2 0 299.415 -0.569 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001436368015 910434488 /nfs/dbraw/zinc/43/44/88/910434488.db2.gz VHGGCGNXOVYKFW-MELADBBJSA-N 2 0 299.415 -0.569 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001436400947 910438749 /nfs/dbraw/zinc/43/87/49/910438749.db2.gz DBBLJZPRCPTCLX-SRVKXCTJSA-N 2 0 284.404 -0.315 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001436410088 910442342 /nfs/dbraw/zinc/44/23/42/910442342.db2.gz ACXWPMDLLCQCLF-NWDGAFQWSA-N 2 0 282.388 -0.558 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)CCC1 ZINC001436794917 910489265 /nfs/dbraw/zinc/48/92/65/910489265.db2.gz QHWQSTXHCICEPR-NSHDSACASA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H]([NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1)C(N)=O ZINC001436825989 910491693 /nfs/dbraw/zinc/49/16/93/910491693.db2.gz IJVAFKWPIXWAKK-CMPLNLGQSA-N 2 0 282.388 -0.560 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C1 ZINC001436923444 910510186 /nfs/dbraw/zinc/51/01/86/910510186.db2.gz DLSVITQEENYJRR-XYPYZODXSA-N 2 0 270.377 -0.689 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001436963568 910517946 /nfs/dbraw/zinc/51/79/46/910517946.db2.gz HOPPARYPBDLCDA-AXFHLTTASA-N 2 0 270.377 -0.561 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1)[NH+](C)C ZINC001436977042 910522297 /nfs/dbraw/zinc/52/22/97/910522297.db2.gz QYPHDKYKCCYZPF-FRRDWIJNSA-N 2 0 296.415 -0.158 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)C(=O)N(C)C ZINC001436981632 910522505 /nfs/dbraw/zinc/52/25/05/910522505.db2.gz ZHMVXDSUQRGLBT-XQHKEYJVSA-N 2 0 296.415 -0.348 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001437161284 910570553 /nfs/dbraw/zinc/57/05/53/910570553.db2.gz AWXUFUYBNNLZGU-RYUDHWBXSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)[NH2+]CCO ZINC001437173122 910572851 /nfs/dbraw/zinc/57/28/51/910572851.db2.gz VVHKOTAIKVUBHR-NSHDSACASA-N 2 0 289.339 -0.033 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)CC)[NH+](C)C ZINC001437244521 910598350 /nfs/dbraw/zinc/59/83/50/910598350.db2.gz YFCGFBVMKFCJHI-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCN1CCNC1=O ZINC001437263155 910601779 /nfs/dbraw/zinc/60/17/79/910601779.db2.gz RKGSDQJHJMPDLB-RYUDHWBXSA-N 2 0 297.403 -0.942 20 0 CBADRP CC[C@H]([NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C)C(N)=O ZINC001437264733 910603342 /nfs/dbraw/zinc/60/33/42/910603342.db2.gz XETFUZMQYBMMGO-QWRGUYRKSA-N 2 0 272.393 -0.315 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001437289363 910605547 /nfs/dbraw/zinc/60/55/47/910605547.db2.gz IGTHMYHXDPVPAM-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001437290312 910606244 /nfs/dbraw/zinc/60/62/44/910606244.db2.gz HJIAVEYKXACXFT-ZDUSSCGKSA-N 2 0 294.403 -0.191 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001437299068 910609051 /nfs/dbraw/zinc/60/90/51/910609051.db2.gz DXFAXDPWNZTEON-OLZOCXBDSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001437309611 910609726 /nfs/dbraw/zinc/60/97/26/910609726.db2.gz CCZQGCGROLTVTK-NEPJUHHUSA-N 2 0 294.399 -0.606 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001437326150 910613262 /nfs/dbraw/zinc/61/32/62/910613262.db2.gz NEOCPTGTNFVDFS-STQMWFEESA-N 2 0 296.415 -0.536 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC(N)=O ZINC001437375107 910621258 /nfs/dbraw/zinc/62/12/58/910621258.db2.gz VCZGTCPMIQRTPH-ZYHUDNBSSA-N 2 0 282.388 -0.702 20 0 CBADRP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001437836636 910762388 /nfs/dbraw/zinc/76/23/88/910762388.db2.gz BWGMHAZUWMTRAX-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)C[N@H+](C)C1CCC1 ZINC001437842046 910767840 /nfs/dbraw/zinc/76/78/40/910767840.db2.gz IGEUBTUCQKDGHI-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)CC[NH+]1CCCCC1 ZINC001437845565 910767908 /nfs/dbraw/zinc/76/79/08/910767908.db2.gz LVYNTTVNEHGVTF-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+][C@H]1CCN(CC)C1=O)[NH+](C)C ZINC001437858292 910771669 /nfs/dbraw/zinc/77/16/69/910771669.db2.gz OBHZLWUQKXSLCL-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCCC(=O)NCC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001437939326 910777682 /nfs/dbraw/zinc/77/76/82/910777682.db2.gz FYWKEKVILHDDAT-LBPRGKRZSA-N 2 0 284.404 -0.358 20 0 CBADRP CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001437935147 910780153 /nfs/dbraw/zinc/78/01/53/910780153.db2.gz AFAPFMLDKUZVPI-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001437952041 910786300 /nfs/dbraw/zinc/78/63/00/910786300.db2.gz YYWZOIYQJDZDMF-OLZOCXBDSA-N 2 0 296.415 -0.488 20 0 CBADRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC(=O)NC ZINC001438349285 910884636 /nfs/dbraw/zinc/88/46/36/910884636.db2.gz SZQXHTLRSHJMSL-AVGNSLFASA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001438637603 910940992 /nfs/dbraw/zinc/94/09/92/910940992.db2.gz OZIYIXPGCSIZEV-YPMHNXCESA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001438964555 911021611 /nfs/dbraw/zinc/02/16/11/911021611.db2.gz PDBWCNOVFCDGEL-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP Cc1ncoc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001438980353 911029806 /nfs/dbraw/zinc/02/98/06/911029806.db2.gz HWWZNBGSIVKETN-NEPJUHHUSA-N 2 0 296.371 -0.356 20 0 CBADRP Cc1ncoc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001438980473 911031597 /nfs/dbraw/zinc/03/15/97/911031597.db2.gz HWWZNBGSIVKETN-RYUDHWBXSA-N 2 0 296.371 -0.356 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001439017464 911054807 /nfs/dbraw/zinc/05/48/07/911054807.db2.gz GBRJYNVOXSVMHV-VXGBXAGGSA-N 2 0 289.420 -0.588 20 0 CBADRP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[NH+]2CCCC2)cn1 ZINC001439056059 911076524 /nfs/dbraw/zinc/07/65/24/911076524.db2.gz MRNHDOFZRPVREO-CYBMUJFWSA-N 2 0 295.387 -0.917 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001439083909 911094872 /nfs/dbraw/zinc/09/48/72/911094872.db2.gz MDXAVIVUWANGJZ-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001439121066 911110226 /nfs/dbraw/zinc/11/02/26/911110226.db2.gz VAKQXZNUUIIYIN-GHMZBOCLSA-N 2 0 282.388 -0.547 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(N)=O ZINC001439125657 911111792 /nfs/dbraw/zinc/11/17/92/911111792.db2.gz DJGOLXREFOAODR-VXGBXAGGSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C ZINC001439155740 911119436 /nfs/dbraw/zinc/11/94/36/911119436.db2.gz XOQPWLUPQLWNAM-WOPDTQHZSA-N 2 0 284.404 -0.348 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001439165886 911123504 /nfs/dbraw/zinc/12/35/04/911123504.db2.gz GRUBQMIEPNCSER-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001439223793 911149182 /nfs/dbraw/zinc/14/91/82/911149182.db2.gz DPQKWTTWYDBUSY-GARJFASQSA-N 2 0 270.377 -0.691 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001439251308 911152737 /nfs/dbraw/zinc/15/27/37/911152737.db2.gz DZHRAOPEOOCYBV-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001439257282 911153027 /nfs/dbraw/zinc/15/30/27/911153027.db2.gz YYUXKXNTISXRDE-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001506906579 921638416 /nfs/dbraw/zinc/63/84/16/921638416.db2.gz KVSIGGJBEHOAAX-JHJVBQTASA-N 2 0 298.431 -0.055 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001439265545 911160768 /nfs/dbraw/zinc/16/07/68/911160768.db2.gz PMVKBTNTIUXCFK-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001439258519 911161788 /nfs/dbraw/zinc/16/17/88/911161788.db2.gz RFWREIURJZCFOP-NSHDSACASA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001439284177 911164596 /nfs/dbraw/zinc/16/45/96/911164596.db2.gz XKFYZRUIGVCWLD-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439283446 911166483 /nfs/dbraw/zinc/16/64/83/911166483.db2.gz RNYFKLYSMWVLNB-WDEREUQCSA-N 2 0 270.377 -0.832 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CCO)C1 ZINC001506906651 921639505 /nfs/dbraw/zinc/63/95/05/921639505.db2.gz MLTPURWLOZYGMZ-HAQNSBGRSA-N 2 0 257.378 -0.197 20 0 CBADRP CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001506907248 921640120 /nfs/dbraw/zinc/64/01/20/921640120.db2.gz ZOUQDHYKRAKQPS-LPWJVIDDSA-N 2 0 296.415 -0.314 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001439460991 911217940 /nfs/dbraw/zinc/21/79/40/911217940.db2.gz ZBHOYYSNTVANRS-QWHCGFSZSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](CCC[NH2+]CC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001506927940 921643403 /nfs/dbraw/zinc/64/34/03/921643403.db2.gz CCESXQVGLXKHTM-GFCCVEGCSA-N 2 0 296.415 -0.025 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CC(=O)N(C)C)C1CC1 ZINC001439492461 911221109 /nfs/dbraw/zinc/22/11/09/911221109.db2.gz DFZQLKZDZKNZEM-CYBMUJFWSA-N 2 0 298.431 -0.101 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NC)CC1 ZINC001439614326 911258610 /nfs/dbraw/zinc/25/86/10/911258610.db2.gz WXVUWLZDXCLKMA-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP CN(C)C(=O)C[NH2+]C1(CNC(=O)CCC[NH+](C)C)CC1 ZINC001439641921 911266298 /nfs/dbraw/zinc/26/62/98/911266298.db2.gz XQYWWLHPFUIWGZ-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CC1CC[NH+](CC(=O)NCC2([NH2+]CC(N)=O)CC2)CC1 ZINC001439653516 911269432 /nfs/dbraw/zinc/26/94/32/911269432.db2.gz PTAMACYJZBYWQN-UHFFFAOYSA-N 2 0 282.388 -0.558 20 0 CBADRP C[NH+](C)CCC(=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001439826656 911294091 /nfs/dbraw/zinc/29/40/91/911294091.db2.gz CFCZNVJCXPMZFT-AWEZNQCLSA-N 2 0 298.431 -0.851 20 0 CBADRP C[NH+]1CCC(C(=O)N2CC[C@](C)(C[NH2+]CC(N)=O)C2)CC1 ZINC001439885501 911306782 /nfs/dbraw/zinc/30/67/82/911306782.db2.gz NZSAQQGYVGBHAA-OAHLLOKOSA-N 2 0 296.415 -0.358 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCCF)C2)C1 ZINC001440023573 911351727 /nfs/dbraw/zinc/35/17/27/911351727.db2.gz NEPXNHAYNAXMCZ-TZMCWYRMSA-N 2 0 287.379 -0.149 20 0 CBADRP C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001440210382 911406062 /nfs/dbraw/zinc/40/60/62/911406062.db2.gz QRMWJERFFIHQGK-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001440315548 911428611 /nfs/dbraw/zinc/42/86/11/911428611.db2.gz FDIIRQDUWSZPSR-RWMBFGLXSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)CCC(=O)N1CCO[C@@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001440372506 911442512 /nfs/dbraw/zinc/44/25/12/911442512.db2.gz HLFZVFRZFIIACS-KGLIPLIRSA-N 2 0 299.415 -0.208 20 0 CBADRP CC[C@H](C(=O)N(C)CCC[N@H+](C)[C@@H]1CCNC1=O)[NH+](C)C ZINC001440432248 911451533 /nfs/dbraw/zinc/45/15/33/911451533.db2.gz UZQAAHNZFVLIGD-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@H](C(=O)N(C)CCC[N@H+](C)[C@H]1CCNC1=O)[NH+](C)C ZINC001440432256 911452746 /nfs/dbraw/zinc/45/27/46/911452746.db2.gz UZQAAHNZFVLIGD-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](O)C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001440578970 911476397 /nfs/dbraw/zinc/47/63/97/911476397.db2.gz XOMOCODSBFVSGR-OLZOCXBDSA-N 2 0 299.415 -0.426 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001440592809 911480842 /nfs/dbraw/zinc/48/08/42/911480842.db2.gz KAOIZTYEGYDLQB-NWDGAFQWSA-N 2 0 284.404 -0.491 20 0 CBADRP CNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001440761898 911504232 /nfs/dbraw/zinc/50/42/32/911504232.db2.gz VTOAQJQZMNBHGO-MOENNCHZSA-N 2 0 282.388 -0.832 20 0 CBADRP C[C@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)[NH2+]CCO ZINC001440825074 911523469 /nfs/dbraw/zinc/52/34/69/911523469.db2.gz BQQYGMKPZUIZCE-RYUDHWBXSA-N 2 0 287.404 -0.428 20 0 CBADRP C[NH+](C)CC1(C(=O)NCCN2CC[NH+](CCO)CC2)CC1 ZINC001441065772 911600701 /nfs/dbraw/zinc/60/07/01/911600701.db2.gz CDHCCRISHKXHIQ-UHFFFAOYSA-N 2 0 298.431 -0.946 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001441132513 911613175 /nfs/dbraw/zinc/61/31/75/911613175.db2.gz GQGRNDCOOXZAJU-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001441199768 911622396 /nfs/dbraw/zinc/62/23/96/911622396.db2.gz FEKDLLJXYXJYJH-NWDGAFQWSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](C)C1C[NH+](CCO)C1 ZINC001441201306 911622895 /nfs/dbraw/zinc/62/28/95/911622895.db2.gz OVTRSPDRFKPJJU-CHWSQXEVSA-N 2 0 299.415 -0.617 20 0 CBADRP C[NH+](C)CCCC(=O)NC[C@@H]([NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001441246053 911629247 /nfs/dbraw/zinc/62/92/47/911629247.db2.gz LIJGLYPQYHQECY-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)[NH+](C)C ZINC001441325717 911644525 /nfs/dbraw/zinc/64/45/25/911644525.db2.gz YCSGYFRTSLOGRR-FMSGJZPZSA-N 2 0 296.415 -0.648 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001441353214 911651456 /nfs/dbraw/zinc/65/14/56/911651456.db2.gz NTFGSQRZNQIAKD-IJLUTSLNSA-N 2 0 282.388 -0.560 20 0 CBADRP CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001441353622 911652673 /nfs/dbraw/zinc/65/26/73/911652673.db2.gz WCXYZCJORXMZSQ-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001441360933 911653114 /nfs/dbraw/zinc/65/31/14/911653114.db2.gz LAKUWLWGJVRPPJ-ZDUSSCGKSA-N 2 0 294.403 -0.190 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC001441380954 911658256 /nfs/dbraw/zinc/65/82/56/911658256.db2.gz AQHPDSQLPHIACG-GVXVVHGQSA-N 2 0 296.415 -0.029 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001441404529 911663008 /nfs/dbraw/zinc/66/30/08/911663008.db2.gz HRHBEGOPHODQAL-CYDGBPFRSA-N 2 0 296.415 -0.301 20 0 CBADRP CCn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001441419448 911665898 /nfs/dbraw/zinc/66/58/98/911665898.db2.gz MKNKDKJHRMOGAB-HAQNSBGRSA-N 2 0 294.403 -0.014 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001441415430 911666045 /nfs/dbraw/zinc/66/60/45/911666045.db2.gz GFEMUJGWJRORBF-SRVKXCTJSA-N 2 0 284.404 -0.348 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001441436782 911669085 /nfs/dbraw/zinc/66/90/85/911669085.db2.gz HKWWHPGYEKOQAB-HAQNSBGRSA-N 2 0 284.404 -0.348 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001441527901 911697048 /nfs/dbraw/zinc/69/70/48/911697048.db2.gz YLWGTUNMJJAKGC-PHIMTYICSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+][C@H]1CCNC1=O ZINC001441532425 911697773 /nfs/dbraw/zinc/69/77/73/911697773.db2.gz FZCGRFURLQVMLR-NEPJUHHUSA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001441581796 911710961 /nfs/dbraw/zinc/71/09/61/911710961.db2.gz BVLMJFNVRVVOEE-VXGBXAGGSA-N 2 0 298.431 -0.101 20 0 CBADRP COC[C@H](O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001441591597 911712552 /nfs/dbraw/zinc/71/25/52/911712552.db2.gz PKIMGGMRCFYMTQ-JHJVBQTASA-N 2 0 287.404 -0.476 20 0 CBADRP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCNC1=O ZINC001441661091 911731507 /nfs/dbraw/zinc/73/15/07/911731507.db2.gz SNJHLEQXQBXXEK-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCO ZINC001507154456 921691340 /nfs/dbraw/zinc/69/13/40/921691340.db2.gz NUDGEGIVWSRWEJ-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001507161137 921693269 /nfs/dbraw/zinc/69/32/69/921693269.db2.gz ISOGKYNAEJVNKS-LBPRGKRZSA-N 2 0 286.420 -0.101 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@H](CO)[NH2+]CCO)[NH+]1CCCC1 ZINC001441840093 911828458 /nfs/dbraw/zinc/82/84/58/911828458.db2.gz YVEGIOUSYVZYOB-QWHCGFSZSA-N 2 0 287.404 -0.834 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001441834516 911829619 /nfs/dbraw/zinc/82/96/19/911829619.db2.gz IYALBBHURLGEQC-YPMHNXCESA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CN1C(=O)CC[NH+](C)C ZINC001441841877 911834161 /nfs/dbraw/zinc/83/41/61/911834161.db2.gz RPSUAMFDKVXIGK-VXGBXAGGSA-N 2 0 284.404 -0.395 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CCC[NH+]1CCCC1 ZINC001441845740 911837053 /nfs/dbraw/zinc/83/70/53/911837053.db2.gz YYGXFXNKXSOQMX-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC001441915649 911850189 /nfs/dbraw/zinc/85/01/89/911850189.db2.gz LDNBASLSAFMSAB-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP NC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001441935184 911859217 /nfs/dbraw/zinc/85/92/17/911859217.db2.gz QOVHAIXNKAGIHP-VXGBXAGGSA-N 2 0 294.399 -0.558 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001441943632 911864605 /nfs/dbraw/zinc/86/46/05/911864605.db2.gz WWGVFJGDHMYMJL-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001441943492 911864727 /nfs/dbraw/zinc/86/47/27/911864727.db2.gz SYTSKNAFDGBQSD-WCQYABFASA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001441983768 911880331 /nfs/dbraw/zinc/88/03/31/911880331.db2.gz LYXOEOOZCASZLJ-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCCNC1=O ZINC001442042757 911902450 /nfs/dbraw/zinc/90/24/50/911902450.db2.gz DJPJWYZRTMWTDX-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001442121123 911933284 /nfs/dbraw/zinc/93/32/84/911933284.db2.gz IFTPBGKSQYYRNX-YPMHNXCESA-N 2 0 294.399 -0.748 20 0 CBADRP C[N@H+](CCNC(=O)C1CC1)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001442383890 911993631 /nfs/dbraw/zinc/99/36/31/911993631.db2.gz WXVFYBXFVPVUFD-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001443098301 912155863 /nfs/dbraw/zinc/15/58/63/912155863.db2.gz WPHXGISTOXUVMF-QWRGUYRKSA-N 2 0 270.377 -0.879 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001443098298 912156601 /nfs/dbraw/zinc/15/66/01/912156601.db2.gz WPHXGISTOXUVMF-MNOVXSKESA-N 2 0 270.377 -0.879 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001443098302 912158257 /nfs/dbraw/zinc/15/82/57/912158257.db2.gz WPHXGISTOXUVMF-WDEREUQCSA-N 2 0 270.377 -0.879 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@H](C)C(N)=O)C1 ZINC001443348625 912187174 /nfs/dbraw/zinc/18/71/74/912187174.db2.gz YXCLBIMAOLDDDS-OLZOCXBDSA-N 2 0 298.431 -0.019 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)CC(N)=O)C1 ZINC001443335649 912189727 /nfs/dbraw/zinc/18/97/27/912189727.db2.gz FJJWAABEYSQQAD-ZDUSSCGKSA-N 2 0 298.431 -0.016 20 0 CBADRP CCN1CC[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001464653012 914996794 /nfs/dbraw/zinc/99/67/94/914996794.db2.gz JOYFUGDVGYIFDM-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP COC[C@H](C)[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001507251152 921784213 /nfs/dbraw/zinc/78/42/13/921784213.db2.gz AXUUADPUURZBCQ-NWDGAFQWSA-N 2 0 285.388 -0.816 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)[NH2+]CC2CC2)C1 ZINC001507251354 921784514 /nfs/dbraw/zinc/78/45/14/921784514.db2.gz CLSAJVOTCGBFRH-STQMWFEESA-N 2 0 269.389 -0.195 20 0 CBADRP COC[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001507251154 921784739 /nfs/dbraw/zinc/78/47/39/921784739.db2.gz AXUUADPUURZBCQ-VXGBXAGGSA-N 2 0 285.388 -0.816 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001472084034 915692321 /nfs/dbraw/zinc/69/23/21/915692321.db2.gz XZGVEUQBRKAQTQ-CMPLNLGQSA-N 2 0 253.346 -0.330 20 0 CBADRP Cn1cncc1CC[N@H+]1C[C@H](CCO)[C@H](CO)C1 ZINC001473892453 915878170 /nfs/dbraw/zinc/87/81/70/915878170.db2.gz KANPDRIEPARQIK-RYUDHWBXSA-N 2 0 253.346 -0.115 20 0 CBADRP Cn1cncc1CC[N@@H+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001473892451 915881758 /nfs/dbraw/zinc/88/17/58/915881758.db2.gz KANPDRIEPARQIK-NEPJUHHUSA-N 2 0 253.346 -0.115 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001507298096 921804703 /nfs/dbraw/zinc/80/47/03/921804703.db2.gz PIDPGKPXOXRUIG-NWDGAFQWSA-N 2 0 284.404 -0.348 20 0 CBADRP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CCn1cncn1 ZINC001479762357 916165130 /nfs/dbraw/zinc/16/51/30/916165130.db2.gz NTTFLNDFGPHNTM-CYBMUJFWSA-N 2 0 294.403 -0.190 20 0 CBADRP C[N@H+](CCO)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001479779633 916173449 /nfs/dbraw/zinc/17/34/49/916173449.db2.gz QESTXMAEHMOFPW-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP CC[C@@H](C(=O)NCCC[N@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001479796467 916178261 /nfs/dbraw/zinc/17/82/61/916178261.db2.gz IAQJMYYFKKCAKT-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP CC[C@H](C(=O)NCCC[N@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001479807863 916185392 /nfs/dbraw/zinc/18/53/92/916185392.db2.gz IAQJMYYFKKCAKT-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP CCNC(=O)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001479811908 916186825 /nfs/dbraw/zinc/18/68/25/916186825.db2.gz COJBZCCUCJSIFH-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CCn1cncn1 ZINC001479812958 916187489 /nfs/dbraw/zinc/18/74/89/916187489.db2.gz URVMTALVIDPOBC-ZDUSSCGKSA-N 2 0 294.403 -0.332 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)C[NH+](C)C(C)C ZINC001479815735 916187618 /nfs/dbraw/zinc/18/76/18/916187618.db2.gz MHHBATINOLMENO-GFCCVEGCSA-N 2 0 286.420 -0.101 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001479909746 916208155 /nfs/dbraw/zinc/20/81/55/916208155.db2.gz NMWTUUKBCCUYAS-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001479909745 916209281 /nfs/dbraw/zinc/20/92/81/916209281.db2.gz NMWTUUKBCCUYAS-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001480038088 916266325 /nfs/dbraw/zinc/26/63/25/916266325.db2.gz AVGKOIZQFXHQIX-GHMZBOCLSA-N 2 0 268.361 -0.950 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001480029014 916268945 /nfs/dbraw/zinc/26/89/45/916268945.db2.gz ZEHCIJVUKNPVGT-ZDUSSCGKSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC)C1)[NH+](C)C ZINC001480117670 916294353 /nfs/dbraw/zinc/29/43/53/916294353.db2.gz RQGIZGPYLNETLX-SRVKXCTJSA-N 2 0 284.404 -0.348 20 0 CBADRP CCn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001480156581 916312525 /nfs/dbraw/zinc/31/25/25/916312525.db2.gz NRORHJUAMVFOBN-HAQNSBGRSA-N 2 0 294.403 -0.014 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001480157164 916312985 /nfs/dbraw/zinc/31/29/85/916312985.db2.gz ISGHPUONYKMUOD-AVGNSLFASA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)CC1 ZINC001480154966 916314633 /nfs/dbraw/zinc/31/46/33/916314633.db2.gz DVNPMVBVZKSSRZ-XYPYZODXSA-N 2 0 255.362 -0.443 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001480168140 916316355 /nfs/dbraw/zinc/31/63/55/916316355.db2.gz XQTSFGXTXCKIJF-HAQNSBGRSA-N 2 0 294.399 -0.545 20 0 CBADRP CC[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)C1)OC ZINC001480198010 916324217 /nfs/dbraw/zinc/32/42/17/916324217.db2.gz FAHRPPBWGMMLEN-RFQIPJPRSA-N 2 0 299.415 -0.021 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001480231904 916337264 /nfs/dbraw/zinc/33/72/64/916337264.db2.gz HVOAEFLORZBVFS-LPWJVIDDSA-N 2 0 296.415 -0.301 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001480460871 916428123 /nfs/dbraw/zinc/42/81/23/916428123.db2.gz XZMPSCDYSZHWGN-WDEREUQCSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCOCCO ZINC001480463793 916428196 /nfs/dbraw/zinc/42/81/96/916428196.db2.gz ZIMYTACKVXKCCW-JHJVBQTASA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(=O)N1CCC1 ZINC001480475996 916430796 /nfs/dbraw/zinc/43/07/96/916430796.db2.gz VRGTXKRMKWBERX-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001480478482 916431435 /nfs/dbraw/zinc/43/14/35/916431435.db2.gz ZFMBAHVHFIQFPU-YPMHNXCESA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001480478480 916432265 /nfs/dbraw/zinc/43/22/65/916432265.db2.gz ZFMBAHVHFIQFPU-WCQYABFASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cnnn1C ZINC001480538372 916465874 /nfs/dbraw/zinc/46/58/74/916465874.db2.gz XRYQAYHJOCPWBI-NEPJUHHUSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)N(C)C ZINC001480575445 916479705 /nfs/dbraw/zinc/47/97/05/916479705.db2.gz SEKBLBIDPKQDOX-NSHDSACASA-N 2 0 282.388 -0.735 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001480571558 916479940 /nfs/dbraw/zinc/47/99/40/916479940.db2.gz INXUFLMYFLYNLD-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001480591265 916487695 /nfs/dbraw/zinc/48/76/95/916487695.db2.gz FICSZBFVRZJHLL-VHSXEESVSA-N 2 0 256.350 -0.950 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001480590824 916488609 /nfs/dbraw/zinc/48/86/09/916488609.db2.gz VNCDLSBHRXHIPJ-STQMWFEESA-N 2 0 298.431 -0.101 20 0 CBADRP COCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001480624325 916500531 /nfs/dbraw/zinc/50/05/31/916500531.db2.gz JETYXDKLPATNRP-KBPBESRZSA-N 2 0 299.415 -0.208 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCCO)C1 ZINC001480638910 916506775 /nfs/dbraw/zinc/50/67/75/916506775.db2.gz XLOKUSFEHNSMCN-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480680753 916516634 /nfs/dbraw/zinc/51/66/34/916516634.db2.gz YAPIMZPRZZFTQV-KBPBESRZSA-N 2 0 299.415 -0.472 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CCO)C1 ZINC001480700162 916519612 /nfs/dbraw/zinc/51/96/12/916519612.db2.gz DTDGBZGNAKIEEF-NEPJUHHUSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@H](C)C(N)=O ZINC001480791432 916541946 /nfs/dbraw/zinc/54/19/46/916541946.db2.gz XTXWFCPBWZULCM-NXEZZACHSA-N 2 0 258.366 -0.704 20 0 CBADRP CC[C@H](C(=O)NCC[N@H+](CCO)C1CC1)[NH+](C)C ZINC001481193879 916748204 /nfs/dbraw/zinc/74/82/04/916748204.db2.gz LVDRROOTNKSZOC-GFCCVEGCSA-N 2 0 257.378 -0.101 20 0 CBADRP CNC(=O)C[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001481239000 916782362 /nfs/dbraw/zinc/78/23/62/916782362.db2.gz IOMGNVDOLAPLSO-UHFFFAOYSA-N 2 0 270.377 -0.735 20 0 CBADRP CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001481277715 916801404 /nfs/dbraw/zinc/80/14/04/916801404.db2.gz VFSCNBSIDFDKIH-CYBMUJFWSA-N 2 0 286.420 -0.243 20 0 CBADRP COC[C@@H](O)C[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001481279742 916806001 /nfs/dbraw/zinc/80/60/01/916806001.db2.gz KGASXUAAZXESPP-STQMWFEESA-N 2 0 287.404 -0.617 20 0 CBADRP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481314677 916817596 /nfs/dbraw/zinc/81/75/96/916817596.db2.gz JWIIVPQJYFEZNS-RYUDHWBXSA-N 2 0 282.388 -0.783 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC(N)=O ZINC001481816504 916995244 /nfs/dbraw/zinc/99/52/44/916995244.db2.gz MGPHDLSIVOGONT-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N(C)C ZINC001481877503 917010779 /nfs/dbraw/zinc/01/07/79/917010779.db2.gz DJHJZXLMNUGMFX-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@](C[NH2+]CC(N)=O)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001481949810 917028215 /nfs/dbraw/zinc/02/82/15/917028215.db2.gz FHCKTKZSKDUJMH-CQSZACIVSA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]CC(=O)N(C)C ZINC001482084041 917045518 /nfs/dbraw/zinc/04/55/18/917045518.db2.gz GOSFNNIHNKSHJX-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H](O)C[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001482167042 917070475 /nfs/dbraw/zinc/07/04/75/917070475.db2.gz ADFDAXPWEAEBOD-NEPJUHHUSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)N(C)C ZINC001482167049 917071277 /nfs/dbraw/zinc/07/12/77/917071277.db2.gz AEBVOIKNJBGWML-VXGBXAGGSA-N 2 0 284.404 -0.632 20 0 CBADRP COCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482169757 917071316 /nfs/dbraw/zinc/07/13/16/917071316.db2.gz VWOVLOFUHCPHBA-VXGBXAGGSA-N 2 0 257.378 -0.074 20 0 CBADRP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)N(C)C ZINC001482159708 917071805 /nfs/dbraw/zinc/07/18/05/917071805.db2.gz RCBSYDVDZRSZOW-QWHCGFSZSA-N 2 0 298.431 -0.242 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482295676 917116920 /nfs/dbraw/zinc/11/69/20/917116920.db2.gz DTNMQBLJVOVYTE-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482322232 917124493 /nfs/dbraw/zinc/12/44/93/917124493.db2.gz AHDXTUNTXXFDGB-LLVKDONJSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H](C[NH2+]CCO)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001482353309 917136527 /nfs/dbraw/zinc/13/65/27/917136527.db2.gz HLWHMHGECDNCKB-NSHDSACASA-N 2 0 255.362 -0.489 20 0 CBADRP CC(C)C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001482394198 917143916 /nfs/dbraw/zinc/14/39/16/917143916.db2.gz OIFFHKZBNUHXAE-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP C[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CCF)C1CCC1 ZINC001482737301 917244452 /nfs/dbraw/zinc/24/44/52/917244452.db2.gz JQHMIWPGRQMYTA-NSHDSACASA-N 2 0 261.341 -0.493 20 0 CBADRP CC(C)(C(=O)NC[C@H](O)C[NH2+]CCF)[NH+]1CCCC1 ZINC001482755036 917252273 /nfs/dbraw/zinc/25/22/73/917252273.db2.gz AVABIJHCMYEJAT-LLVKDONJSA-N 2 0 275.368 -0.103 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]Cc1cnns1 ZINC001482764856 917264631 /nfs/dbraw/zinc/26/46/31/917264631.db2.gz YEVRQYBELQWPRN-SECBINFHSA-N 2 0 287.389 -0.944 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nccn1C)[NH+](C)C ZINC001482771030 917269224 /nfs/dbraw/zinc/26/92/24/917269224.db2.gz XQKUMGDLCGCDQM-RYUDHWBXSA-N 2 0 297.403 -0.673 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]C[C@H]1CCCOC1 ZINC001482791406 917286915 /nfs/dbraw/zinc/28/69/15/917286915.db2.gz ASVMSPUKFWHXNU-ZIAGYGMSSA-N 2 0 299.415 -0.425 20 0 CBADRP C[C@H](CC[NH2+]CC(N)=O)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482841192 917308549 /nfs/dbraw/zinc/30/85/49/917308549.db2.gz CRHDDICJTMRQIK-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](CC[NH2+]CC(=O)N1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482899303 917324317 /nfs/dbraw/zinc/32/43/17/917324317.db2.gz NRYFNCKPNZJYHY-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)C12CC[NH+](CC1)C2 ZINC001482963102 917349645 /nfs/dbraw/zinc/34/96/45/917349645.db2.gz FVVSNGMREKTMJY-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP COC[C@H](O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483048583 917384969 /nfs/dbraw/zinc/38/49/69/917384969.db2.gz VCVCZTRGPGDRPB-VSVUCHCSSA-N 2 0 299.415 -0.260 20 0 CBADRP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]CC(N)=O)[NH+](C)C ZINC001483056020 917391700 /nfs/dbraw/zinc/39/17/00/917391700.db2.gz FJCLKJQIZMTDAV-FOQNGQEVSA-N 2 0 270.377 -0.680 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001483083621 917405141 /nfs/dbraw/zinc/40/51/41/917405141.db2.gz NBGLSTFKTVMHCI-PCAWENJQSA-N 2 0 294.399 -0.521 20 0 CBADRP C[C@H](C[NH2+]CCNC(=O)C1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483116216 917418723 /nfs/dbraw/zinc/41/87/23/917418723.db2.gz DFOSGZHUWZSWIY-YPMHNXCESA-N 2 0 296.415 -0.299 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483129454 917429657 /nfs/dbraw/zinc/42/96/57/917429657.db2.gz ZBORGTHJQNJRQI-JHJVBQTASA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H]([NH2+]C[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C)C(N)=O ZINC001483241086 917486692 /nfs/dbraw/zinc/48/66/92/917486692.db2.gz XWAAEVPJCAMZKB-HBNTYKKESA-N 2 0 272.393 -0.315 20 0 CBADRP CC[C@@H]([NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001483262314 917501093 /nfs/dbraw/zinc/50/10/93/917501093.db2.gz WXNHAOUWLLFTTO-CMPLNLGQSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CCc1cncn1C ZINC001483289608 917511296 /nfs/dbraw/zinc/51/12/96/917511296.db2.gz XHNOBJKIUICANX-JQWIXIFHSA-N 2 0 293.371 -0.665 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CCn1cncn1 ZINC001483296268 917511864 /nfs/dbraw/zinc/51/18/64/917511864.db2.gz CBXLYCNDINYBCP-LBPRGKRZSA-N 2 0 282.392 -0.287 20 0 CBADRP C[C@@H]([NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1)C(N)=O ZINC001483603483 917603021 /nfs/dbraw/zinc/60/30/21/917603021.db2.gz ZUNXCXKHFMNLEF-PWSUYJOCSA-N 2 0 294.399 -0.560 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCCO)CC2)C1 ZINC001483768004 917676262 /nfs/dbraw/zinc/67/62/62/917676262.db2.gz UHVORUARKZKFFU-LBPRGKRZSA-N 2 0 269.389 -0.051 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CCOCCO)CC2)C1 ZINC001483790993 917679850 /nfs/dbraw/zinc/67/98/50/917679850.db2.gz OJBHEIUHDSHWIZ-LBPRGKRZSA-N 2 0 285.388 -0.815 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001483847383 917687161 /nfs/dbraw/zinc/68/71/61/917687161.db2.gz ZITUFTBPANVCQG-OAHLLOKOSA-N 2 0 296.415 -0.262 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2C[NH2+]CCO)C1 ZINC001483951655 917713729 /nfs/dbraw/zinc/71/37/29/917713729.db2.gz CHHPYYLEWDNDQS-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CCO ZINC001483958141 917717006 /nfs/dbraw/zinc/71/70/06/917717006.db2.gz GFJLTMJLJGHBMR-GFCCVEGCSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC2([NH2+]CCO)CCOCC2)CC1 ZINC001484186806 917747380 /nfs/dbraw/zinc/74/73/80/917747380.db2.gz KLRAKJHNQRMOPF-UHFFFAOYSA-N 2 0 299.415 -0.425 20 0 CBADRP COCC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001484235518 917779304 /nfs/dbraw/zinc/77/93/04/917779304.db2.gz JSGCGLLHLHHLLU-ZFWWWQNUSA-N 2 0 299.415 -0.472 20 0 CBADRP COCCCN1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001484265232 917807725 /nfs/dbraw/zinc/80/77/25/917807725.db2.gz WWRAISPLRDRPLN-GFCCVEGCSA-N 2 0 285.388 -0.720 20 0 CBADRP CC[NH2+]CCN(CCO)C(=O)COC1CC[NH+](C)CC1 ZINC001484496343 917878104 /nfs/dbraw/zinc/87/81/04/917878104.db2.gz FJJYFPQPAQGJAH-UHFFFAOYSA-N 2 0 287.404 -0.472 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484535609 917883503 /nfs/dbraw/zinc/88/35/03/917883503.db2.gz IOGITCKQTWYCPP-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CO[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001484698990 917926749 /nfs/dbraw/zinc/92/67/49/917926749.db2.gz JWIYWQKXELYTHB-UONOGXRCSA-N 2 0 299.415 -0.066 20 0 CBADRP C[NH+](C)CCC(=O)NC1(C[NH2+]CCO)CCOCC1 ZINC001484868618 917950672 /nfs/dbraw/zinc/95/06/72/917950672.db2.gz SOUFNEQEIDHADA-UHFFFAOYSA-N 2 0 273.377 -0.815 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001484902001 917963081 /nfs/dbraw/zinc/96/30/81/917963081.db2.gz NACXGQCKWLEJHR-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H]([NH2+]CCO)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485214556 918028183 /nfs/dbraw/zinc/02/81/83/918028183.db2.gz JMDOUPDFRZZBQG-MNOVXSKESA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CCO ZINC001485214557 918029942 /nfs/dbraw/zinc/02/99/42/918029942.db2.gz JMDOUPDFRZZBQG-QWRGUYRKSA-N 2 0 255.362 -0.443 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001485223706 918034766 /nfs/dbraw/zinc/03/47/66/918034766.db2.gz ANHYIMWJVHHUDO-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)CC[NH+](C)C ZINC001485259466 918036911 /nfs/dbraw/zinc/03/69/11/918036911.db2.gz VBRFHQTVHGQAOI-UHFFFAOYSA-N 2 0 286.420 -0.242 20 0 CBADRP C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCO)C1 ZINC001485531764 918139555 /nfs/dbraw/zinc/13/95/55/918139555.db2.gz BMRAWAFFISUXBB-RYUDHWBXSA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001485704959 918170174 /nfs/dbraw/zinc/17/01/74/918170174.db2.gz HEOFHUIGLDLOJI-CYDGBPFRSA-N 2 0 296.415 -0.171 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001485702702 918171039 /nfs/dbraw/zinc/17/10/39/918171039.db2.gz YXTJVIVKLJLUJX-XYPYZODXSA-N 2 0 280.372 -0.948 20 0 CBADRP C[C@H](CCC[NH2+]CC(N)=O)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001485745026 918182107 /nfs/dbraw/zinc/18/21/07/918182107.db2.gz PNBOQUBXOCZMES-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP C[N@H+](CCO)CCOCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485773928 918187916 /nfs/dbraw/zinc/18/79/16/918187916.db2.gz WVLDITYXNUMKEH-CQSZACIVSA-N 2 0 299.415 -0.615 20 0 CBADRP CN(C(=O)C1CC[NH+](C)CC1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001485822042 918195510 /nfs/dbraw/zinc/19/55/10/918195510.db2.gz CXAUNOVEQMHKTG-CYBMUJFWSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H](C)C(N)=O ZINC001485881290 918216444 /nfs/dbraw/zinc/21/64/44/918216444.db2.gz FGZMIMIBSCKCLO-MNOVXSKESA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001485921034 918228615 /nfs/dbraw/zinc/22/86/15/918228615.db2.gz XUCFVHDMXLAJNE-WDEREUQCSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001485956115 918238591 /nfs/dbraw/zinc/23/85/91/918238591.db2.gz UAZBTLHFXLGKQV-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)cn1 ZINC001485982702 918277386 /nfs/dbraw/zinc/27/73/86/918277386.db2.gz NPNJYBWSVVPMEL-STQMWFEESA-N 2 0 295.387 -0.919 20 0 CBADRP O=C(NC[C@@H](CO)[NH2+]CCC1CC1)C12CC[NH+](CC1)C2 ZINC001486053290 918349903 /nfs/dbraw/zinc/34/99/03/918349903.db2.gz YBIAFFRTIMFSOC-ZDUSSCGKSA-N 2 0 281.400 -0.051 20 0 CBADRP C[N@H+](CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001486203615 918381682 /nfs/dbraw/zinc/38/16/82/918381682.db2.gz ZVYKPWOEWSIDGA-VXGBXAGGSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC001486240011 918390133 /nfs/dbraw/zinc/39/01/33/918390133.db2.gz HTQQLDJNGKTFIX-SNVBAGLBSA-N 2 0 270.377 -0.750 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCO)[C@@H]1C ZINC001489301647 918808653 /nfs/dbraw/zinc/80/86/53/918808653.db2.gz TWBKPHGYVBXQEA-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP CNC(=O)C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001490166411 918852594 /nfs/dbraw/zinc/85/25/94/918852594.db2.gz QOWYJTHGFNPPBG-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CCNC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001490164356 918854701 /nfs/dbraw/zinc/85/47/01/918854701.db2.gz JPCGLPJODVTQKM-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)[C@H]1CCNC1=O ZINC001490214278 918870275 /nfs/dbraw/zinc/87/02/75/918870275.db2.gz QWSPSRNVZOBPSH-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001490213033 918870598 /nfs/dbraw/zinc/87/05/98/918870598.db2.gz BFTNSJOFAAQBGC-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH+](C)[C@H]1CCN(C)C1=O ZINC001490264936 918886098 /nfs/dbraw/zinc/88/60/98/918886098.db2.gz JLOFMJFELUCNNS-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)N(C)C ZINC001490318898 918891195 /nfs/dbraw/zinc/89/11/95/918891195.db2.gz STSHNXPQIJTZIW-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)[C@H](C)C(=O)NC ZINC001490358244 918898184 /nfs/dbraw/zinc/89/81/84/918898184.db2.gz WXCWTSSOKDJBHL-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](C(N)=O)[N@H+](CCCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001490394510 918905611 /nfs/dbraw/zinc/90/56/11/918905611.db2.gz XQGLHZWFOBCHIG-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001490606545 918941852 /nfs/dbraw/zinc/94/18/52/918941852.db2.gz UPVKUHWFNQAHBX-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP NC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001490663998 918955579 /nfs/dbraw/zinc/95/55/79/918955579.db2.gz BVXYPHIUFHUOQO-STQMWFEESA-N 2 0 294.399 -0.702 20 0 CBADRP NC(=O)C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001490728532 918964995 /nfs/dbraw/zinc/96/49/95/918964995.db2.gz OGNZDCZMHOBOHX-LLVKDONJSA-N 2 0 280.372 -0.948 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001490903487 918988838 /nfs/dbraw/zinc/98/88/38/918988838.db2.gz NADHLFKERHTFIV-IJLUTSLNSA-N 2 0 284.404 -0.348 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001490922487 918989824 /nfs/dbraw/zinc/98/98/24/918989824.db2.gz OUHBEHLRDMJUPJ-HAQNSBGRSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001490923302 918991226 /nfs/dbraw/zinc/99/12/26/918991226.db2.gz ZNXXODCURDBVDG-DCAQKATOSA-N 2 0 270.377 -0.561 20 0 CBADRP O=C(N[C@H]1C[C@H]([NH2+]CCCO)C1)C12CC[NH+](CC1)C2 ZINC001490945229 918992602 /nfs/dbraw/zinc/99/26/02/918992602.db2.gz BLJKWSDWIHMDJU-HAQNSBGRSA-N 2 0 267.373 -0.299 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001490924968 918994690 /nfs/dbraw/zinc/99/46/90/918994690.db2.gz VGHCZXKHKGETOT-OPRDCNLKSA-N 2 0 256.350 -0.951 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001491025564 919011241 /nfs/dbraw/zinc/01/12/41/919011241.db2.gz AWBFQXGHHOLFDZ-RVMXOQNASA-N 2 0 296.415 -0.029 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001491318617 919112480 /nfs/dbraw/zinc/11/24/80/919112480.db2.gz UEVBSODVGHWLTB-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001491318615 919113730 /nfs/dbraw/zinc/11/37/30/919113730.db2.gz UEVBSODVGHWLTB-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCN1CCNC1=O ZINC001491416132 919149080 /nfs/dbraw/zinc/14/90/80/919149080.db2.gz XJAKUPKUYOSPBB-RYUDHWBXSA-N 2 0 297.403 -0.800 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C)CC[N@@H+]1C ZINC001491460337 919168881 /nfs/dbraw/zinc/16/88/81/919168881.db2.gz BXAJFNNZKCTICG-RWMBFGLXSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H](C)C(N)=O ZINC001491565771 919209095 /nfs/dbraw/zinc/20/90/95/919209095.db2.gz QBMSCJVUZOJGIA-UWVGGRQHSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCCO ZINC001491580963 919216343 /nfs/dbraw/zinc/21/63/43/919216343.db2.gz YBDUGJXLOVHMRL-RYUDHWBXSA-N 2 0 257.378 -0.195 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C ZINC001491651457 919243460 /nfs/dbraw/zinc/24/34/60/919243460.db2.gz XBCCBWSKCATBIH-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP C[NH+](C)CCCC(=O)NCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001491710757 919260143 /nfs/dbraw/zinc/26/01/43/919260143.db2.gz ACPIJPZTZXNWJV-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[C@H]([NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001491855843 919291373 /nfs/dbraw/zinc/29/13/73/919291373.db2.gz IIKFHBXMTMATPX-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@H+](CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001491876726 919295540 /nfs/dbraw/zinc/29/55/40/919295540.db2.gz IDAZERCKLGXPTF-VXGBXAGGSA-N 2 0 296.415 -0.027 20 0 CBADRP Cc1nc(C)n(CC[N@@H+](C)CCNC(=O)CC[NH+](C)C)n1 ZINC001492402136 919407759 /nfs/dbraw/zinc/40/77/59/919407759.db2.gz JJJBNTZEVCOCCF-UHFFFAOYSA-N 2 0 296.419 -0.105 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)CCCO)C1 ZINC001492420994 919412692 /nfs/dbraw/zinc/41/26/92/919412692.db2.gz FUCWXBIKXRXSNF-GFCCVEGCSA-N 2 0 257.378 -0.241 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCN(C)[C@H](C)C(=O)N(C)C ZINC001492824063 919434365 /nfs/dbraw/zinc/43/43/65/919434365.db2.gz PZQSBKWZTOVCMA-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CCN1CCCC1=O ZINC001492854913 919439020 /nfs/dbraw/zinc/43/90/20/919439020.db2.gz YCFYZTXDGUISRT-ZDUSSCGKSA-N 2 0 296.415 -0.392 20 0 CBADRP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001493133491 919483529 /nfs/dbraw/zinc/48/35/29/919483529.db2.gz RXNWOAKFIGAHET-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493232586 919509903 /nfs/dbraw/zinc/50/99/03/919509903.db2.gz GCISHMXTVOMGEX-GHMZBOCLSA-N 2 0 270.377 -0.750 20 0 CBADRP O=C(Cc1ncc[nH]1)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001493250134 919510449 /nfs/dbraw/zinc/51/04/49/919510449.db2.gz MZKUUZUZGUTGGS-JTQLQIEISA-N 2 0 252.318 -0.617 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001493235661 919510592 /nfs/dbraw/zinc/51/05/92/919510592.db2.gz XELLTGPBQUAROO-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001493262304 919514261 /nfs/dbraw/zinc/51/42/61/919514261.db2.gz FQMUHJRPYKXZRO-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001493260774 919515417 /nfs/dbraw/zinc/51/54/17/919515417.db2.gz UHZWUDMNSGDWHY-LBPRGKRZSA-N 2 0 282.388 -0.734 20 0 CBADRP C[C@@H](O)C[N@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001493408096 919539131 /nfs/dbraw/zinc/53/91/31/919539131.db2.gz VUTLBIPWPXSIID-LLVKDONJSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001493550844 919576966 /nfs/dbraw/zinc/57/69/66/919576966.db2.gz JZOIVJFYAODDNQ-YNEHKIRRSA-N 2 0 298.431 -0.149 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+][C@H](C)C(N)=O)CC[N@@H+]1C ZINC001493550827 919579212 /nfs/dbraw/zinc/57/92/12/919579212.db2.gz JWRSVQWRBDVBMP-GRYCIOLGSA-N 2 0 284.404 -0.362 20 0 CBADRP CC[C@@H]([NH2+]CCN(C)C(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001493578332 919585396 /nfs/dbraw/zinc/58/53/96/919585396.db2.gz IHNCASGZFPLXCZ-GFCCVEGCSA-N 2 0 284.404 -0.217 20 0 CBADRP CN(CC[NH2+]CC(N)=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001493584125 919586855 /nfs/dbraw/zinc/58/68/55/919586855.db2.gz KNXJOUQPTUZJPB-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP CN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001493725841 919613646 /nfs/dbraw/zinc/61/36/46/919613646.db2.gz NSKCITFRCUMIJB-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@H]1CCN(C)C1=O ZINC001493770037 919620935 /nfs/dbraw/zinc/62/09/35/919620935.db2.gz XSBBCNPXRMMZTE-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP CN(CC[NH2+]CC(=O)NCC1CC1)C(=O)C[NH+]1CCCC1 ZINC001493792982 919621455 /nfs/dbraw/zinc/62/14/55/919621455.db2.gz AYGNLHQXPNOIPE-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP CN(CC[NH2+]CCn1cncn1)C(=O)C[NH+]1CCCC1 ZINC001493793980 919622172 /nfs/dbraw/zinc/62/21/72/919622172.db2.gz QEPMUUQTICUHFV-UHFFFAOYSA-N 2 0 280.376 -0.578 20 0 CBADRP C[N@H+](CCO)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001494182000 919665696 /nfs/dbraw/zinc/66/56/96/919665696.db2.gz VMHRJFZUYWCSKH-QWHCGFSZSA-N 2 0 269.389 -0.289 20 0 CBADRP CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC(=O)NC ZINC001494981756 919832971 /nfs/dbraw/zinc/83/29/71/919832971.db2.gz SOVTUGDQZOTNRO-STQMWFEESA-N 2 0 296.415 -0.441 20 0 CBADRP CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@H](C)C(=O)NC ZINC001495049456 919852179 /nfs/dbraw/zinc/85/21/79/919852179.db2.gz JEMAMHXIKAFXOX-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H](C)C(=O)NC ZINC001495049455 919853472 /nfs/dbraw/zinc/85/34/72/919853472.db2.gz JEMAMHXIKAFXOX-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)C(=O)NC ZINC001495107617 919864254 /nfs/dbraw/zinc/86/42/54/919864254.db2.gz IXOUVBDCNMFLFQ-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]CCOCCO ZINC001495592011 919905157 /nfs/dbraw/zinc/90/51/57/919905157.db2.gz ZKRKZBMGFWJPOH-CQSZACIVSA-N 2 0 299.415 -0.328 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]CC(=O)N1CCC1 ZINC001495730709 919934513 /nfs/dbraw/zinc/93/45/13/919934513.db2.gz MNXQYDJVHSFPLA-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001495808070 919948765 /nfs/dbraw/zinc/94/87/65/919948765.db2.gz ILHCGCSXXLDBON-NSHDSACASA-N 2 0 270.377 -0.830 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH]cn1 ZINC001496084872 920024488 /nfs/dbraw/zinc/02/44/88/920024488.db2.gz YOFCFCIXACAYTD-GHMZBOCLSA-N 2 0 295.387 -0.087 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001496143688 920032263 /nfs/dbraw/zinc/03/22/63/920032263.db2.gz DZIBDYXICGCWHW-TUAOUCFPSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001496146183 920036358 /nfs/dbraw/zinc/03/63/58/920036358.db2.gz XUTQBYZRTYBZGM-QWRGUYRKSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC(=O)N(C)C ZINC001496364486 920062516 /nfs/dbraw/zinc/06/25/16/920062516.db2.gz SHJBIPZPRYEIQM-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP CC(C)[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001496997326 920196887 /nfs/dbraw/zinc/19/68/87/920196887.db2.gz TYUULLLPHQULEK-GFCCVEGCSA-N 2 0 257.378 -0.054 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCCF ZINC001497001010 920201860 /nfs/dbraw/zinc/20/18/60/920201860.db2.gz GJBHQUBZTQXGLD-VXGBXAGGSA-N 2 0 275.368 -0.103 20 0 CBADRP CCOCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497033659 920219932 /nfs/dbraw/zinc/21/99/32/920219932.db2.gz SIBYWSILPJGFRM-STQMWFEESA-N 2 0 287.404 -0.426 20 0 CBADRP C[C@H](CC[NH2+]CC(N)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001497154528 920264863 /nfs/dbraw/zinc/26/48/63/920264863.db2.gz LDURYXBJWACMJZ-ZJUUUORDSA-N 2 0 256.350 -0.950 20 0 CBADRP C[C@@H](CC[NH2+]CCO)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001497313375 920282006 /nfs/dbraw/zinc/28/20/06/920282006.db2.gz RJCDHTRUIBVOIS-JSGCOSHPSA-N 2 0 269.389 -0.051 20 0 CBADRP C[C@@H](CC[NH2+]CCO)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001497324520 920285120 /nfs/dbraw/zinc/28/51/20/920285120.db2.gz VCXWRZBMPVMONX-STQMWFEESA-N 2 0 287.404 -0.569 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001497362762 920294945 /nfs/dbraw/zinc/29/49/45/920294945.db2.gz UEWPZWMBGNRGSW-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CCN(CC[NH2+]CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497384082 920299674 /nfs/dbraw/zinc/29/96/74/920299674.db2.gz SBWXQZIVANYTCW-CYBMUJFWSA-N 2 0 269.389 -0.241 20 0 CBADRP CNC(=O)C[NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001497692734 920372318 /nfs/dbraw/zinc/37/23/18/920372318.db2.gz RPKVWHRDLWJJCP-ONEGZZNKSA-N 2 0 296.415 -0.274 20 0 CBADRP C[C@H](C[NH2+]CCCO)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497816850 920402564 /nfs/dbraw/zinc/40/25/64/920402564.db2.gz FEKDOSXVVQXLEY-YPMHNXCESA-N 2 0 269.389 -0.195 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NC)[NH+](C)C ZINC001497836471 920407802 /nfs/dbraw/zinc/40/78/02/920407802.db2.gz YGDMAIDXUCTYJL-OUAUKWLOSA-N 2 0 272.393 -0.445 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)CCC[NH+](C)C ZINC001497895299 920417901 /nfs/dbraw/zinc/41/79/01/920417901.db2.gz OFJHNOCPPXPGDE-MNOVXSKESA-N 2 0 298.387 -0.772 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cnnn1C ZINC001497969268 920429145 /nfs/dbraw/zinc/42/91/45/920429145.db2.gz ODHFZJJYOQPQMH-LLVKDONJSA-N 2 0 282.392 -0.249 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497983295 920433672 /nfs/dbraw/zinc/43/36/72/920433672.db2.gz ACVPTKXUSDSCAU-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001498106848 920481340 /nfs/dbraw/zinc/48/13/40/920481340.db2.gz XNMSQETVPUNUMF-LBPRGKRZSA-N 2 0 298.431 -0.053 20 0 CBADRP CCN1CC[C@@H]([N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001498394684 920571638 /nfs/dbraw/zinc/57/16/38/920571638.db2.gz LGHOVPONOSHFKI-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)CN(C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001498416324 920577789 /nfs/dbraw/zinc/57/77/89/920577789.db2.gz SGVRLHIYVQSGRC-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)CCc1c[nH]cn1 ZINC001498558163 920610650 /nfs/dbraw/zinc/61/06/50/920610650.db2.gz CPBMTZVYIYTCJI-LLVKDONJSA-N 2 0 295.387 -0.085 20 0 CBADRP CN(CCC[NH2+]CCO)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001498647223 920622996 /nfs/dbraw/zinc/62/29/96/920622996.db2.gz BSFVHNXHFHQDMY-AWEZNQCLSA-N 2 0 269.389 -0.097 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001499920373 920785931 /nfs/dbraw/zinc/78/59/31/920785931.db2.gz CMZHHNAMGLFWCJ-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@]1(O)CC[NH+](CCCO)C1 ZINC001500767277 920876558 /nfs/dbraw/zinc/87/65/58/920876558.db2.gz YKPAZYWPOQOHIB-CQSZACIVSA-N 2 0 287.404 -0.738 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001500765693 920879299 /nfs/dbraw/zinc/87/92/99/920879299.db2.gz FTDDMXFIJHSUHU-ZFWWWQNUSA-N 2 0 299.415 -0.594 20 0 CBADRP CNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001501648372 921051215 /nfs/dbraw/zinc/05/12/15/921051215.db2.gz XZWGPVAEQBYISU-CYBMUJFWSA-N 2 0 296.415 -0.344 20 0 CBADRP O=C(N[C@@H]1CC[C@H](C[NH2+]CCO)C1)C12CC[NH+](CC1)C2 ZINC001507415319 921821167 /nfs/dbraw/zinc/82/11/67/921821167.db2.gz JQKSLOBZPHNMCU-QWHCGFSZSA-N 2 0 281.400 -0.051 20 0 CBADRP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001507472461 921840150 /nfs/dbraw/zinc/84/01/50/921840150.db2.gz VBXLSUONRJIOTJ-NEPJUHHUSA-N 2 0 257.378 -0.102 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCCO)CC[N@@H+]1C ZINC001507478401 921843339 /nfs/dbraw/zinc/84/33/39/921843339.db2.gz IDXSHHCTLYEJOM-FRRDWIJNSA-N 2 0 287.404 -0.882 20 0 CBADRP CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001507484493 921846362 /nfs/dbraw/zinc/84/63/62/921846362.db2.gz DMAOWYNVOLUBJW-GFCCVEGCSA-N 2 0 257.378 -0.101 20 0 CBADRP COCC[NH2+]C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001507489763 921848900 /nfs/dbraw/zinc/84/89/00/921848900.db2.gz GNDQQXJECPMBTG-CYBMUJFWSA-N 2 0 299.415 -0.330 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCF)[NH+](C)C ZINC001507543265 921864998 /nfs/dbraw/zinc/86/49/98/921864998.db2.gz RLBXNCWTSXFYJN-RYUDHWBXSA-N 2 0 277.384 -0.049 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001508028373 921904759 /nfs/dbraw/zinc/90/47/59/921904759.db2.gz BJYZNJBTYSWEBN-NSHDSACASA-N 2 0 286.420 -0.066 20 0 CBADRP C[C@H]([NH2+]C1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001508112154 921914247 /nfs/dbraw/zinc/91/42/47/921914247.db2.gz CICFYWDHURDMGJ-UNXYVOJBSA-N 2 0 296.415 -0.077 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001514592119 922204799 /nfs/dbraw/zinc/20/47/99/922204799.db2.gz AVCVVEDTQWRKQF-NNYUYHANSA-N 2 0 253.346 -0.426 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)CN1CCC(CO)CC1 ZINC001514603920 922209160 /nfs/dbraw/zinc/20/91/60/922209160.db2.gz JUYOJNJTNQVMJQ-GFCCVEGCSA-N 2 0 255.362 -0.489 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001514709173 922212071 /nfs/dbraw/zinc/21/20/71/922212071.db2.gz VLAIUUPWMOGYKJ-UBHSHLNASA-N 2 0 267.373 -0.251 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001515496277 922235227 /nfs/dbraw/zinc/23/52/27/922235227.db2.gz JCUDRLPWGVJGNZ-AWEZNQCLSA-N 2 0 269.389 -0.051 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C)C[NH+](C)C ZINC001520191654 922300626 /nfs/dbraw/zinc/30/06/26/922300626.db2.gz NMRKBDJNNXAMRH-FRRDWIJNSA-N 2 0 268.405 -0.311 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001521159280 922335971 /nfs/dbraw/zinc/33/59/71/922335971.db2.gz ZPXNJQLIIONCTD-IJLUTSLNSA-N 2 0 254.378 -0.511 20 0 CBADRP C[C@]1(C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](O)C[NH2+]1 ZINC001521424808 922353683 /nfs/dbraw/zinc/35/36/83/922353683.db2.gz KPVRLXCXXNIIBB-GXTWGEPZSA-N 2 0 267.373 -0.158 20 0 CBADRP C[C@@H]1C[NH+](CCCCNC(=O)CNCC[NH3+])C[C@@H](C)O1 ZINC001521445651 922355458 /nfs/dbraw/zinc/35/54/58/922355458.db2.gz IBRNLFYOZIRKFZ-CHWSQXEVSA-N 2 0 286.420 -0.460 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H](O)C[NH2+]1 ZINC001521438173 922356806 /nfs/dbraw/zinc/35/68/06/922356806.db2.gz BPWDAJHVSUJABR-OWTLIXCDSA-N 2 0 267.373 -0.158 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C[C@H](O)C[NH3+])C1 ZINC001521482886 922360095 /nfs/dbraw/zinc/36/00/95/922360095.db2.gz XMRBAADROCWCLI-RYUDHWBXSA-N 2 0 257.378 -0.210 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC001521495828 922361403 /nfs/dbraw/zinc/36/14/03/922361403.db2.gz LYRBJVJZPKVQKK-QWHCGFSZSA-N 2 0 268.405 -0.310 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC001521495829 922362354 /nfs/dbraw/zinc/36/23/54/922362354.db2.gz LYRBJVJZPKVQKK-STQMWFEESA-N 2 0 268.405 -0.310 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001521508072 922363227 /nfs/dbraw/zinc/36/32/27/922363227.db2.gz OPPJQHZMUBTNLE-SKDRFNHKSA-N 2 0 254.334 -0.404 20 0 CBADRP [NH3+]CC[C@H]1CCCN(C(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001521533364 922365190 /nfs/dbraw/zinc/36/51/90/922365190.db2.gz GYOLMLWGKANDDJ-XSRFYTQQSA-N 2 0 255.362 -0.326 20 0 CBADRP C[NH2+]CCN(C)C(=O)c1cc2n(n1)CCC[C@@H]2[NH3+] ZINC001521513333 922366068 /nfs/dbraw/zinc/36/60/68/922366068.db2.gz TYNYNXYKYJPFLD-VIFPVBQESA-N 2 0 251.334 -0.032 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC[C@@H]([NH3+])C1 ZINC001521526669 922367211 /nfs/dbraw/zinc/36/72/11/922367211.db2.gz FTVKEDYBMCTYML-QJPTWQEYSA-N 2 0 252.362 -0.676 20 0 CBADRP C[NH+](C)C[C@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001521788660 922381847 /nfs/dbraw/zinc/38/18/47/922381847.db2.gz LZTXOICFTBZVHM-CYBMUJFWSA-N 2 0 255.362 -0.393 20 0 CBADRP COC[C@H]([NH3+])C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001521858448 922388038 /nfs/dbraw/zinc/38/80/38/922388038.db2.gz MBHOZLGHJNAEQC-JTQLQIEISA-N 2 0 255.322 -0.643 20 0 CBADRP C[C@H](CCNC(=O)C[C@@]1(O)CCC[NH2+]C1)[NH+](C)C ZINC001521939727 922389469 /nfs/dbraw/zinc/38/94/69/922389469.db2.gz PHXUTJSCKIHBSR-YPMHNXCESA-N 2 0 257.378 -0.053 20 0 CBADRP C[NH2+]CCOc1cccc(C(=O)NC[C@H](O)C[NH3+])c1 ZINC001522027915 922395181 /nfs/dbraw/zinc/39/51/81/922395181.db2.gz HUILGDTVLAGAKC-LLVKDONJSA-N 2 0 267.329 -0.666 20 0 CBADRP [NH3+]C1(CNC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CCOCC1 ZINC001522169898 922401689 /nfs/dbraw/zinc/40/16/89/922401689.db2.gz BVTGWEVFZXZWJR-VWYCJHECSA-N 2 0 253.346 -0.534 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC001522247628 922404059 /nfs/dbraw/zinc/40/40/59/922404059.db2.gz DJZSKRIUVGOQPM-QJPTWQEYSA-N 2 0 255.362 -0.444 20 0 CBADRP O=C(c1ccc2c(c1)C[NH2+]C2)N1CC[NH2+]C[C@@H]1CO ZINC001522417382 922410297 /nfs/dbraw/zinc/41/02/97/922410297.db2.gz GFRQDMSEARKIRO-CYBMUJFWSA-N 2 0 261.325 -0.304 20 0 CBADRP CCN(C(=O)C[NH+]1CCC(CO)CC1)[C@H]1CC[NH2+]C1 ZINC001522480953 922420226 /nfs/dbraw/zinc/42/02/26/922420226.db2.gz DHAJFWOXGWMDGE-ZDUSSCGKSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCN1C ZINC001522668025 922502852 /nfs/dbraw/zinc/50/28/52/922502852.db2.gz QVHSDFPRVYBSGQ-RYUDHWBXSA-N 2 0 254.378 -0.510 20 0 CBADRP CC[C@H](C(=O)NCCNC(=O)C[N@H+](C)C(C)C)[NH+](C)C ZINC001522697000 922506243 /nfs/dbraw/zinc/50/62/43/922506243.db2.gz GUVWDKRAAQGCCN-GFCCVEGCSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H]1[NH2+]C[C@H](C)N(C(=O)[C@H](N)CC[NH+](C)C)[C@H]1C ZINC001522823508 922527567 /nfs/dbraw/zinc/52/75/67/922527567.db2.gz CBGDADFNWLDHMJ-FIQHERPVSA-N 2 0 256.394 -0.137 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC001523009865 922558203 /nfs/dbraw/zinc/55/82/03/922558203.db2.gz KKSKMNLVBGINND-DGCLKSJQSA-N 2 0 255.362 -0.360 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC001523009866 922559053 /nfs/dbraw/zinc/55/90/53/922559053.db2.gz KKSKMNLVBGINND-WCQYABFASA-N 2 0 255.362 -0.360 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC001523010171 922559138 /nfs/dbraw/zinc/55/91/38/922559138.db2.gz NSAXPVNTBKVSSH-LSCVPOLPSA-N 2 0 253.346 -0.846 20 0 CBADRP COC1(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[NH2+]CC1 ZINC001523068190 922566825 /nfs/dbraw/zinc/56/68/25/922566825.db2.gz VFJZQVTVNPHXSM-NWDGAFQWSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001523507115 922597083 /nfs/dbraw/zinc/59/70/83/922597083.db2.gz JGPSEEQZOMELLL-MLGHIDQZSA-N 2 0 264.373 -0.616 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[C@@]1(O)CCC[NH2+]C1)C2 ZINC001523550766 922598466 /nfs/dbraw/zinc/59/84/66/922598466.db2.gz NZVUEQVAYORZMW-OPDFLTKYSA-N 2 0 267.373 -0.171 20 0 CBADRP [NH3+][C@@H]1C[C@H](NC(=O)C[C@@H]2C[NH2+]CCO2)C12CCC2 ZINC001523605993 922599795 /nfs/dbraw/zinc/59/97/95/922599795.db2.gz RBHSKUPAUMTDBF-MXWKQRLJSA-N 2 0 253.346 -0.249 20 0 CBADRP C[C@@H](NC(=O)C1(C)C[NH2+]C1)[C@@H]1C[N@H+](C)CCN1C ZINC001524028516 922613375 /nfs/dbraw/zinc/61/33/75/922613375.db2.gz CCWSVBGEVQJXBH-MNOVXSKESA-N 2 0 254.378 -0.654 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001524028538 922614167 /nfs/dbraw/zinc/61/41/67/922614167.db2.gz CFKFMTFTWWYTQB-QJPTWQEYSA-N 2 0 256.394 -0.408 20 0 CBADRP O=C([C@H]1CCC[NH2+]1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001524009957 922614905 /nfs/dbraw/zinc/61/49/05/922614905.db2.gz ZCILDLHYGDOCJL-FRRDWIJNSA-N 2 0 267.373 -0.204 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC001524112120 922620993 /nfs/dbraw/zinc/62/09/93/922620993.db2.gz DEAJEBMLMNHMPT-CYBMUJFWSA-N 2 0 255.362 -0.177 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001524111877 922621526 /nfs/dbraw/zinc/62/15/26/922621526.db2.gz AGHJYRCPJNPRGR-WCQYABFASA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@]1(C(=O)NCC[C@H]2CCC[NH2+]CC2)C[C@@H](O)C[NH2+]1 ZINC001524221997 922627000 /nfs/dbraw/zinc/62/70/00/922627000.db2.gz HFDWPCWXBDRQQP-OUCADQQQSA-N 2 0 269.389 -0.005 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)CCO1 ZINC001548443088 923354324 /nfs/dbraw/zinc/35/43/24/923354324.db2.gz FYJVMHYIQCLJGJ-CQSZACIVSA-N 2 0 299.415 -0.520 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001548552956 923374901 /nfs/dbraw/zinc/37/49/01/923374901.db2.gz MUORIWJCKATMGD-UONOGXRCSA-N 2 0 280.416 -0.166 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC001548554608 923374987 /nfs/dbraw/zinc/37/49/87/923374987.db2.gz CMCWEWLWFVMCPQ-CYBMUJFWSA-N 2 0 278.356 -0.134 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001548554392 923376277 /nfs/dbraw/zinc/37/62/77/923376277.db2.gz GPWFQHAEYKBMGD-TZMCWYRMSA-N 2 0 292.383 -0.053 20 0 CBADRP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C[C@@H](O)C[NH3+])C[C@@H](C)O1 ZINC001548551054 923376645 /nfs/dbraw/zinc/37/66/45/923376645.db2.gz LROXOPRXOHQXAO-YIYPIFLZSA-N 2 0 299.415 -0.204 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001548552955 923376857 /nfs/dbraw/zinc/37/68/57/923376857.db2.gz MUORIWJCKATMGD-KGLIPLIRSA-N 2 0 280.416 -0.166 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC001548550439 923377329 /nfs/dbraw/zinc/37/73/29/923377329.db2.gz GODNBYHKSPIYBZ-KBPBESRZSA-N 2 0 280.416 -0.023 20 0 CBADRP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C[C@@H](O)C[NH3+])C[C@H](C)O1 ZINC001548551052 923377367 /nfs/dbraw/zinc/37/73/67/923377367.db2.gz LROXOPRXOHQXAO-RFQIPJPRSA-N 2 0 299.415 -0.204 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC001548556017 923378272 /nfs/dbraw/zinc/37/82/72/923378272.db2.gz ZSDWUTQWSMPIDH-OCCSQVGLSA-N 2 0 267.373 -0.156 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)CCO1 ZINC001548556343 923378541 /nfs/dbraw/zinc/37/85/41/923378541.db2.gz ATOFXBGYCOKMDN-MFKMUULPSA-N 2 0 282.344 -0.929 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001548555481 923379602 /nfs/dbraw/zinc/37/96/02/923379602.db2.gz RIMBWNJCZBSJAT-CQSZACIVSA-N 2 0 289.383 -0.366 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CCO4)C[C@H]21 ZINC001548556059 923379938 /nfs/dbraw/zinc/37/99/38/923379938.db2.gz YFJRZVYZUJRCIO-HVNMYJMUSA-N 2 0 279.384 -0.049 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001548557629 923380239 /nfs/dbraw/zinc/38/02/39/923380239.db2.gz XZIQUTDQEWZTFH-KWBADKCTSA-N 2 0 284.335 -0.299 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC001548558685 923381986 /nfs/dbraw/zinc/38/19/86/923381986.db2.gz PRPJMUOSCXEWEV-LSDHHAIUSA-N 2 0 288.395 -0.107 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001548558383 923382469 /nfs/dbraw/zinc/38/24/69/923382469.db2.gz IOMAYFDJSUEYKW-HNNXBMFYSA-N 2 0 299.415 -0.328 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001548558696 923382958 /nfs/dbraw/zinc/38/29/58/923382958.db2.gz ZECWCNNHFXKKTR-CYBMUJFWSA-N 2 0 280.416 -0.118 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC001548558264 923383158 /nfs/dbraw/zinc/38/31/58/923383158.db2.gz OCQIKHKMJRTMKQ-VXGBXAGGSA-N 2 0 268.405 -0.216 20 0 CBADRP [NH3+]CCNCC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC001548564206 923385177 /nfs/dbraw/zinc/38/51/77/923385177.db2.gz BXZCRLXVTVYJPC-ZDUSSCGKSA-N 2 0 262.357 -0.381 20 0 CBADRP COC1(C(=O)NCC[C@@H]2CSCC[NH2+]2)CC[NH2+]CC1 ZINC001548563628 923385830 /nfs/dbraw/zinc/38/58/30/923385830.db2.gz SPKLUHMFZVNRFO-LLVKDONJSA-N 2 0 287.429 -0.034 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)NCC[C@H]1CSCC[NH2+]1 ZINC001548562492 923387233 /nfs/dbraw/zinc/38/72/33/923387233.db2.gz DOWOPSUVEUNKSW-WDEREUQCSA-N 2 0 273.402 -0.424 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC001548566083 923390933 /nfs/dbraw/zinc/39/09/33/923390933.db2.gz UMDXDOUQOWZZFF-HUUCEWRRSA-N 2 0 288.395 -0.025 20 0 CBADRP [NH3+]C[C@@H](C(=O)N[C@H]1COC2(C[NH2+]C2)C1)c1ccccc1 ZINC001548569051 923390980 /nfs/dbraw/zinc/39/09/80/923390980.db2.gz MGMKFMLSIHJOLG-CHWSQXEVSA-N 2 0 275.352 -0.024 20 0 CBADRP O=C(N[C@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001548568446 923391388 /nfs/dbraw/zinc/39/13/88/923391388.db2.gz GZHHDBXAINSLGI-FRRDWIJNSA-N 2 0 279.384 -0.131 20 0 CBADRP [NH3+]C1(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)Cc2ccccc2C1 ZINC001548569672 923391880 /nfs/dbraw/zinc/39/18/80/923391880.db2.gz QUYFUPNQJPIJNK-CYBMUJFWSA-N 2 0 287.363 -0.270 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001548570191 923393139 /nfs/dbraw/zinc/39/31/39/923393139.db2.gz TYMWCPJOJHJOMF-STQMWFEESA-N 2 0 275.352 -0.197 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001548573555 923397828 /nfs/dbraw/zinc/39/78/28/923397828.db2.gz HOEGSKNOLDGGBR-ZNMIVQPWSA-N 2 0 288.395 -0.238 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC001548575306 923399457 /nfs/dbraw/zinc/39/94/57/923399457.db2.gz AWLWLCJZHONIFS-OCCSQVGLSA-N 2 0 277.368 -0.088 20 0 CBADRP O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC[C@H]([NH2+]CCO)C1 ZINC001548574470 923400612 /nfs/dbraw/zinc/40/06/12/923400612.db2.gz BMFRGCNOCMNTKS-STQMWFEESA-N 2 0 281.400 -0.051 20 0 CBADRP CC1(C)CN(C(=O)CC2([NH3+])CC2)CC2(C[NH2+]C2)O1 ZINC001548575943 923400976 /nfs/dbraw/zinc/40/09/76/923400976.db2.gz KOKKPMZPXJXNRA-UHFFFAOYSA-N 2 0 253.346 -0.153 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548574071 923401365 /nfs/dbraw/zinc/40/13/65/923401365.db2.gz YFWCCVNMGAIVEF-XZUYRWCXSA-N 2 0 253.346 -0.378 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC001548576286 923402253 /nfs/dbraw/zinc/40/22/53/923402253.db2.gz OCTGPNNASNFUCT-TZMCWYRMSA-N 2 0 277.368 -0.088 20 0 CBADRP CC(C)[NH2+]CC(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548576627 923402666 /nfs/dbraw/zinc/40/26/66/923402666.db2.gz UPANHXXAGPPBDI-UHFFFAOYSA-N 2 0 255.362 -0.036 20 0 CBADRP CC1(C)CN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)CC2(C[NH2+]C2)O1 ZINC001548580103 923402987 /nfs/dbraw/zinc/40/29/87/923402987.db2.gz VVCFETATWABOEC-RISCZKNCSA-N 2 0 279.384 -0.035 20 0 CBADRP CC1(C)CN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC2(C[NH2+]C2)O1 ZINC001548576535 923403156 /nfs/dbraw/zinc/40/31/56/923403156.db2.gz RATPJSFGHZNRRQ-CQSZACIVSA-N 2 0 297.399 -0.530 20 0 CBADRP CC1(C)CN(C(=O)COC2CC[NH2+]CC2)CC2(C[NH2+]C2)O1 ZINC001548580409 923404423 /nfs/dbraw/zinc/40/44/23/923404423.db2.gz XCRBBIYCGDWXOL-UHFFFAOYSA-N 2 0 297.399 -0.266 20 0 CBADRP O=C(N1CCC(OC2C[NH2+]C2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001548587308 923406770 /nfs/dbraw/zinc/40/67/70/923406770.db2.gz HJCKHBJSLXTHDB-NHYWBVRUSA-N 2 0 295.383 -0.798 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1=O ZINC001548583905 923407133 /nfs/dbraw/zinc/40/71/33/923407133.db2.gz FOGPWKRDCDHRIT-NWDGAFQWSA-N 2 0 296.415 -0.408 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH+]1CCCCC1 ZINC001548625877 923411910 /nfs/dbraw/zinc/41/19/10/923411910.db2.gz RJDUICWMPUWRFQ-KBPBESRZSA-N 2 0 280.416 -0.023 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC001548695910 923457306 /nfs/dbraw/zinc/45/73/06/923457306.db2.gz VTQYILQGQIJLIP-YIYPIFLZSA-N 2 0 278.400 -0.605 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC001548708147 923467147 /nfs/dbraw/zinc/46/71/47/923467147.db2.gz JWXNQMBYFNLPBB-AAVRWANBSA-N 2 0 278.400 -0.463 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)C[C@H](C)[N@H+]1C ZINC001548711150 923471443 /nfs/dbraw/zinc/47/14/43/923471443.db2.gz SZNIFCNOOCJBAR-CRWXNKLISA-N 2 0 280.416 -0.074 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC001548723061 923473307 /nfs/dbraw/zinc/47/33/07/923473307.db2.gz CJYQABMLLZXVLI-LXTVHRRPSA-N 2 0 292.427 -0.073 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCN(CCCF)CC1 ZINC001548723914 923477274 /nfs/dbraw/zinc/47/72/74/923477274.db2.gz BHGFTLWDDNTWQS-UONOGXRCSA-N 2 0 298.406 -0.122 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC001548728072 923479985 /nfs/dbraw/zinc/47/99/85/923479985.db2.gz RTQIAHJEVYOFLZ-XPKDYRNWSA-N 2 0 292.427 -0.025 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC001548725922 923481582 /nfs/dbraw/zinc/48/15/82/923481582.db2.gz KTOUJLZUJJZMTK-BARDWOONSA-N 2 0 292.427 -0.215 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC001548749666 923494988 /nfs/dbraw/zinc/49/49/88/923494988.db2.gz CSCBZSVSAFCDKS-ZFWWWQNUSA-N 2 0 297.399 -0.768 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001548951096 923517344 /nfs/dbraw/zinc/51/73/44/923517344.db2.gz MSAFTPVEYGHNQN-LPTSXCQYSA-N 2 0 277.372 -0.471 20 0 CBADRP COCC1(C(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)CC[NH2+]CC1 ZINC001549045173 923534163 /nfs/dbraw/zinc/53/41/63/923534163.db2.gz ZRSBBULAEWXYTC-CHWSQXEVSA-N 2 0 297.399 -0.408 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549044725 923535416 /nfs/dbraw/zinc/53/54/16/923535416.db2.gz IZFKPBUNNXZKNB-OLZOCXBDSA-N 2 0 283.372 -0.656 20 0 CBADRP O=C([C@@H]1C[C@@H]2C[C@@H]2[NH2+]1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549044834 923535731 /nfs/dbraw/zinc/53/57/31/923535731.db2.gz KZWGDZWKZQMCGI-NGDQXYMTSA-N 2 0 251.330 -0.674 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549044824 923536263 /nfs/dbraw/zinc/53/62/63/923536263.db2.gz KMCIJQGWCPPWAJ-QJPTWQEYSA-N 2 0 253.346 -0.425 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549045695 923538019 /nfs/dbraw/zinc/53/80/19/923538019.db2.gz HEQRWZIAZRSKMD-CYBMUJFWSA-N 2 0 296.415 -0.739 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001549047135 923542480 /nfs/dbraw/zinc/54/24/80/923542480.db2.gz KXPALBGCJDHOAN-ZYHUDNBSSA-N 2 0 280.376 -0.244 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)C3CC([NH3+])C3)C2)nn1 ZINC001549046835 923542560 /nfs/dbraw/zinc/54/25/60/923542560.db2.gz AOWHZXPLEPZEJO-CBINBANVSA-N 2 0 278.360 -0.362 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001549046894 923543546 /nfs/dbraw/zinc/54/35/46/923543546.db2.gz BUZKIEMSSGTBCK-VXGBXAGGSA-N 2 0 280.376 -0.116 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001549047269 923544858 /nfs/dbraw/zinc/54/48/58/923544858.db2.gz MYSIAAOLKGTHRT-ONGXEEELSA-N 2 0 266.349 -0.362 20 0 CBADRP CC[NH2+]CC(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001549048062 923546016 /nfs/dbraw/zinc/54/60/16/923546016.db2.gz IANJTAFCZPEDDX-QWRGUYRKSA-N 2 0 251.334 -0.717 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C[C@H]3C[NH2+]CCO3)C[C@H]2[NH3+])cn1 ZINC001549049070 923546306 /nfs/dbraw/zinc/54/63/06/923546306.db2.gz CEFUBGQKEWZBQF-RWMBFGLXSA-N 2 0 293.371 -0.948 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)C3([NH3+])CCCC3)C[C@@H]2[NH3+])cn1 ZINC001549048477 923547246 /nfs/dbraw/zinc/54/72/46/923547246.db2.gz MLUSVHHTTOXHAR-NEPJUHHUSA-N 2 0 277.372 -0.055 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)C(C)(C)C[NH3+])C[C@@H]2[NH3+])cn1 ZINC001549049023 923547964 /nfs/dbraw/zinc/54/79/64/923547964.db2.gz ALQVJVVLGUZNNE-MNOVXSKESA-N 2 0 265.361 -0.342 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)CC(C)(C)[NH3+])C[C@@H]2[NH3+])cn1 ZINC001549050880 923550592 /nfs/dbraw/zinc/55/05/92/923550592.db2.gz QBESKWUYUWABBL-MNOVXSKESA-N 2 0 265.361 -0.199 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)c3c[nH+]ccc3N)C[C@@H]2[NH3+])cn1 ZINC001549052806 923553421 /nfs/dbraw/zinc/55/34/21/923553421.db2.gz WNYBLRMRCRQBPY-YPMHNXCESA-N 2 0 286.339 -0.205 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C[C@H]2[NH3+])cn1 ZINC001549052883 923554900 /nfs/dbraw/zinc/55/49/00/923554900.db2.gz ZEMONARGQZMBNZ-OBPIAQAESA-N 2 0 275.356 -0.861 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C[C@@H]3COCC[NH2+]3)C[C@@H]2[NH3+])cn1 ZINC001549052823 923555059 /nfs/dbraw/zinc/55/50/59/923555059.db2.gz WWGOMVUKMHUGGQ-AGIUHOORSA-N 2 0 293.371 -0.948 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)C2 ZINC001549128445 923560048 /nfs/dbraw/zinc/56/00/48/923560048.db2.gz MGKBEXSOTZFOIF-JMSVASOKSA-N 2 0 294.399 -0.558 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N2C[C@H]3CCC[C@]3(C[NH3+])C2)nn1 ZINC001549126860 923560441 /nfs/dbraw/zinc/56/04/41/923560441.db2.gz FKMOFDVBMGQZTA-RISCZKNCSA-N 2 0 292.387 -0.172 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C2 ZINC001549128729 923560645 /nfs/dbraw/zinc/56/06/45/923560645.db2.gz NRKSROUITWNCLU-DCQANWLSSA-N 2 0 253.346 -0.703 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1COC3)C2 ZINC001549130450 923560720 /nfs/dbraw/zinc/56/07/20/923560720.db2.gz WDRGZXDFVVYRRK-DHMWGJHJSA-N 2 0 279.384 -0.190 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1C[NH2+]C[C@@H]1C(F)(F)F ZINC001549125773 923560741 /nfs/dbraw/zinc/56/07/41/923560741.db2.gz RLAWSWVVMLXZGN-AEJSXWLSSA-N 2 0 295.305 -0.121 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC001549132515 923564401 /nfs/dbraw/zinc/56/44/01/923564401.db2.gz FGRAZTSWWJYUTI-YVECIDJPSA-N 2 0 285.388 -0.153 20 0 CBADRP CN(C(=O)NC[C@H]1C[NH2+]CCCO1)[C@H]1CC[N@H+](C)C1 ZINC001549211093 923571380 /nfs/dbraw/zinc/57/13/80/923571380.db2.gz TYTYDBMYBDJQGU-NWDGAFQWSA-N 2 0 270.377 -0.290 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N2C[C@H]3CCC[C@@]3(C[NH3+])C2)O1 ZINC001549287039 923578283 /nfs/dbraw/zinc/57/82/83/923578283.db2.gz HCKXAVSVQVYGEE-HKUMRIAESA-N 2 0 267.373 -0.049 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N2C[C@H]([NH3+])[C@@H](c3cnn(C)c3)C2)O1 ZINC001549293031 923579989 /nfs/dbraw/zinc/57/99/89/923579989.db2.gz QWJKLGPNAGQECR-FOUMNBMASA-N 2 0 293.371 -0.950 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CCCO1 ZINC001549292812 923580549 /nfs/dbraw/zinc/58/05/49/923580549.db2.gz SCXBCOWSSKJKLR-GHMZBOCLSA-N 2 0 293.371 -0.324 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N2C[C@H]([NH3+])[C@H](c3cnn(C)c3)C2)O1 ZINC001549293036 923580729 /nfs/dbraw/zinc/58/07/29/923580729.db2.gz QWJKLGPNAGQECR-LPTSXCQYSA-N 2 0 293.371 -0.950 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C[C@@H]1F)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549291088 923581134 /nfs/dbraw/zinc/58/11/34/923581134.db2.gz WNBVIRYYNROZLE-MJBXVCDLSA-N 2 0 298.406 -0.170 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nn1 ZINC001549293955 923583086 /nfs/dbraw/zinc/58/30/86/923583086.db2.gz UOOLSLBWNPTSQN-NEPJUHHUSA-N 2 0 292.387 -0.302 20 0 CBADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(c2nc(N)[nH+]c(N)n2)C1 ZINC001549552046 923601794 /nfs/dbraw/zinc/60/17/94/923601794.db2.gz WUGWUTPTTMGBAU-NXEZZACHSA-N 2 0 293.375 -0.275 20 0 CBADRP [NH3+][C@@H]1C[C@H]1C(=O)NCc1cccc(N2CC[C@@H]([NH3+])C2)n1 ZINC001549726703 923630305 /nfs/dbraw/zinc/63/03/05/923630305.db2.gz OQBMNIVVLPFDNH-YUSALJHKSA-N 2 0 275.356 -0.418 20 0 CBADRP C[C@@H]([NH3+])CC(=O)NCc1cccc(N2CC[C@H]([NH3+])C2)n1 ZINC001549726410 923630721 /nfs/dbraw/zinc/63/07/21/923630721.db2.gz JRTJZRFWGFKNJA-MNOVXSKESA-N 2 0 277.372 -0.028 20 0 CBADRP C[NH2+]CC(=O)NCc1cccc(N2CC[C@@H]([NH3+])C2)n1 ZINC001549726830 923630747 /nfs/dbraw/zinc/63/07/47/923630747.db2.gz JWLIALGOPKDHKS-SNVBAGLBSA-N 2 0 263.345 -0.545 20 0 CBADRP [NH3+][C@H]1C[C@@H]1C(=O)NCc1cccc(N2CC[C@@H]([NH3+])C2)n1 ZINC001549726702 923630813 /nfs/dbraw/zinc/63/08/13/923630813.db2.gz OQBMNIVVLPFDNH-USWWRNFRSA-N 2 0 275.356 -0.418 20 0 CBADRP [NH3+]CCCC(=O)NCc1cccc(N2CC[C@@H]([NH3+])C2)n1 ZINC001549727311 923631000 /nfs/dbraw/zinc/63/10/00/923631000.db2.gz SDODDJRYDAOOQJ-LLVKDONJSA-N 2 0 277.372 -0.026 20 0 CBADRP CCC[C@H]([NH3+])C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549728919 923632200 /nfs/dbraw/zinc/63/22/00/923632200.db2.gz TZLKOBGIHPMFCW-SGMGOOAPSA-N 2 0 296.415 -0.123 20 0 CBADRP [NH3+]CCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549728868 923632257 /nfs/dbraw/zinc/63/22/57/923632257.db2.gz RYWHWISIVQFSQL-RISCZKNCSA-N 2 0 282.388 -0.512 20 0 CBADRP C[NH2+]CC(=O)NCc1ccncc1O[C@@H]1CC[NH2+]C1 ZINC001549729170 923632749 /nfs/dbraw/zinc/63/27/49/923632749.db2.gz OUEKRNZDUONOAN-LLVKDONJSA-N 2 0 264.329 -0.342 20 0 CBADRP O=C(C[NH2+]C1CC1)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549731000 923632944 /nfs/dbraw/zinc/63/29/44/923632944.db2.gz LKBSIYNISZWHNN-IUODEOHRSA-N 2 0 294.399 -0.499 20 0 CBADRP Cn1cnc([C@H]2CN(C(=O)C[NH2+]C3CC3)C[C@@H]2[NH3+])c1 ZINC001549733434 923632965 /nfs/dbraw/zinc/63/29/65/923632965.db2.gz AQBJTZHBRRRULK-QWRGUYRKSA-N 2 0 263.345 -0.575 20 0 CBADRP Cn1cnc([C@H]2CN(C(=O)C[NH2+]C3CC3)C[C@H]2[NH3+])c1 ZINC001549733440 923633584 /nfs/dbraw/zinc/63/35/84/923633584.db2.gz AQBJTZHBRRRULK-WDEREUQCSA-N 2 0 263.345 -0.575 20 0 CBADRP CCC[C@H]([NH3+])C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH3+])C1 ZINC001549734012 923633778 /nfs/dbraw/zinc/63/37/78/923633778.db2.gz CXJYIKLJLJXDRP-OUAUKWLOSA-N 2 0 265.361 -0.199 20 0 CBADRP CO[C@@H]1C[NH2+][C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH3+])C2)C1 ZINC001549734216 923633826 /nfs/dbraw/zinc/63/38/26/923633826.db2.gz CCFBMLVCJRHOBD-QCNOEVLYSA-N 2 0 293.371 -0.950 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549735893 923635071 /nfs/dbraw/zinc/63/50/71/923635071.db2.gz MMKZMLUVARYTMN-OUAUKWLOSA-N 2 0 265.361 -0.329 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@]34CC[NH2+]C4)C[C@@H]2[NH3+])c1 ZINC001549735188 923636351 /nfs/dbraw/zinc/63/63/51/923636351.db2.gz FJVRGWJBPNDFEW-YXMPFFBPSA-N 2 0 289.383 -0.327 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)CC3([NH3+])CCC3)C[C@H]2[NH3+])c1 ZINC001549735703 923636785 /nfs/dbraw/zinc/63/67/85/923636785.db2.gz MPCBNQGLFKIJPY-GHMZBOCLSA-N 2 0 277.372 -0.055 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCCC[NH2+]3)C[C@@H]2[NH3+])c1 ZINC001549735973 923636810 /nfs/dbraw/zinc/63/68/10/923636810.db2.gz NWRMJCGMSCVQRJ-WOPDTQHZSA-N 2 0 277.372 -0.185 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N2C[C@@H]([NH3+])[C@@H](c3cn(C)cn3)C2)O1 ZINC001549741281 923637635 /nfs/dbraw/zinc/63/76/35/923637635.db2.gz YXXUEFQYZVDDPR-LSCVPOLPSA-N 2 0 293.371 -0.950 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549745365 923638342 /nfs/dbraw/zinc/63/83/42/923638342.db2.gz YLAUXTDCXJIBSX-NAKRPEOUSA-N 2 0 265.361 -0.344 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1 ZINC001549742780 923638605 /nfs/dbraw/zinc/63/86/05/923638605.db2.gz UMDLRXZFMOASJW-KXNHARMFSA-N 2 0 277.372 -0.471 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@]34C[C@@H]3C[C@@H]([NH3+])C4)C[C@@H]2[NH3+])c1 ZINC001549739429 923638772 /nfs/dbraw/zinc/63/87/72/923638772.db2.gz UGCUJGLMUWYYMN-MVIRXUPPSA-N 2 0 289.383 -0.199 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)C3CC([NH3+])C3)C[C@@H]2[NH3+])c1 ZINC001549740122 923639274 /nfs/dbraw/zinc/63/92/74/923639274.db2.gz WDPSQZJFOOQAAJ-LXKPXOPUSA-N 2 0 263.345 -0.590 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)CC3(C[NH3+])CC3)C[C@@H]2[NH3+])c1 ZINC001549744686 923639482 /nfs/dbraw/zinc/63/94/82/923639482.db2.gz WNFGVNUDAFISDI-MNOVXSKESA-N 2 0 277.372 -0.198 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[C@H]3[NH3+])C[C@H]2[NH3+])c1 ZINC001549740490 923639798 /nfs/dbraw/zinc/63/97/98/923639798.db2.gz WTGJLEWUCJSODO-DDHJBXDOSA-N 2 0 277.372 -0.199 20 0 CBADRP [NH3+]C[C@H](C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1)C1CCOCC1 ZINC001549750986 923641769 /nfs/dbraw/zinc/64/17/69/923641769.db2.gz KCUCRYXQRNJDPA-BFHYXJOUSA-N 2 0 297.399 -0.423 20 0 CBADRP C[C@]12C[NH2+]C[C@]1(C)CN(C(=O)[C@]13C[NH2+]C[C@H]1COC3)C2 ZINC001549898986 923645555 /nfs/dbraw/zinc/64/55/55/923645555.db2.gz GUZKIKYIIQEIJW-MYPMTAMASA-N 2 0 279.384 -0.320 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC001549900178 923646612 /nfs/dbraw/zinc/64/66/12/923646612.db2.gz XKFOCJIYTBTERW-WCQYABFASA-N 2 0 298.431 -0.020 20 0 CBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@@H]2OCC[C@H]2[NH3+])C1 ZINC001549901023 923647921 /nfs/dbraw/zinc/64/79/21/923647921.db2.gz SHLJSHQBDVRPIO-HBNTYKKESA-N 2 0 255.362 -0.003 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](C(=O)N2CC[NH2+]CCC2(C)C)O1 ZINC001549901869 923648123 /nfs/dbraw/zinc/64/81/23/923648123.db2.gz AVUJJRJRZIRTPH-QWRGUYRKSA-N 2 0 255.362 -0.036 20 0 CBADRP O=C(N1CC[C@H](N2CC[NH2+]CC2)C1)[C@@]12CCC[C@H]1C[NH2+]C2 ZINC001549901759 923648660 /nfs/dbraw/zinc/64/86/60/923648660.db2.gz SSDOXHWQDWEUCY-OFQRWUPVSA-N 2 0 292.427 -0.118 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)C1(F)F ZINC001550060323 923662224 /nfs/dbraw/zinc/66/22/24/923662224.db2.gz IGQHFFPDJJKIIV-UTINFBMNSA-N 2 0 275.299 -0.584 20 0 CBADRP O=C(CCC1C[NH2+]C1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001550061183 923663611 /nfs/dbraw/zinc/66/36/11/923663611.db2.gz WKNZBPXHSXQXFP-RYUDHWBXSA-N 2 0 253.346 -0.425 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC001550075523 923665766 /nfs/dbraw/zinc/66/57/66/923665766.db2.gz PEDZQDAKAXQTNQ-CABCVRRESA-N 2 0 288.395 -0.237 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC001550075527 923667736 /nfs/dbraw/zinc/66/77/36/923667736.db2.gz PEDZQDAKAXQTNQ-HUUCEWRRSA-N 2 0 288.395 -0.237 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550084679 923669360 /nfs/dbraw/zinc/66/93/60/923669360.db2.gz KCNRHIKJYZSBCF-NEPJUHHUSA-N 2 0 267.373 -0.129 20 0 CBADRP O=C(NC[C@@H]1CC12CC[NH2+]CC2)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001550080363 923669389 /nfs/dbraw/zinc/66/93/89/923669389.db2.gz JPVLHKWHYRHSNA-YWPYICTPSA-N 2 0 279.384 -0.272 20 0 CBADRP [NH3+][C@@H](Cc1ncccn1)C(=O)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550083472 923669425 /nfs/dbraw/zinc/66/94/25/923669425.db2.gz ZKINMEFFRSIWDW-NEPJUHHUSA-N 2 0 289.383 -0.148 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550082464 923669718 /nfs/dbraw/zinc/66/97/18/923669718.db2.gz VYTKHXBSBULAGF-UTUOFQBUSA-N 2 0 267.373 -0.144 20 0 CBADRP CO[C@@H]1C[NH2+][C@H](C(=O)NC[C@H]2CC23CC[NH2+]CC3)C1 ZINC001550085076 923670041 /nfs/dbraw/zinc/67/00/41/923670041.db2.gz GROAHCLVNYRPPP-WOPDTQHZSA-N 2 0 267.373 -0.131 20 0 CBADRP C[C@H](C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1)[NH+](C)C ZINC001550088227 923672681 /nfs/dbraw/zinc/67/26/81/923672681.db2.gz OSNIOFQRONZKEQ-MWLCHTKSSA-N 2 0 266.349 -0.621 20 0 CBADRP CC(C)([NH3+])CCC(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550088303 923672709 /nfs/dbraw/zinc/67/27/09/923672709.db2.gz LWUCDBZBNSHCQF-LLVKDONJSA-N 2 0 280.376 -0.054 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087607 923673038 /nfs/dbraw/zinc/67/30/38/923673038.db2.gz ZAMUSAKNONHHPD-CYZMBNFOSA-N 2 0 292.387 -0.054 20 0 CBADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@H]1CCCCC[NH2+]1 ZINC001550087604 923673252 /nfs/dbraw/zinc/67/32/52/923673252.db2.gz YZSFYTVPDPXNIZ-QWHCGFSZSA-N 2 0 292.387 -0.039 20 0 CBADRP CC[C@H]([NH3+])C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087458 923673343 /nfs/dbraw/zinc/67/33/43/923673343.db2.gz VDCVWGGISFVEHK-UWVGGRQHSA-N 2 0 252.322 -0.834 20 0 CBADRP CCC[C@](C)([NH3+])C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550088328 923673396 /nfs/dbraw/zinc/67/33/96/923673396.db2.gz NNAHWOCFWKYSIF-AAEUAGOBSA-N 2 0 280.376 -0.054 20 0 CBADRP [NH3+]C1(C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)CCCC1 ZINC001550088531 923674734 /nfs/dbraw/zinc/67/47/34/923674734.db2.gz RIBBIQDVPVJDNZ-NSHDSACASA-N 2 0 278.360 -0.300 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001550090101 923675746 /nfs/dbraw/zinc/67/57/46/923675746.db2.gz TWQFOKIFDGAKQZ-MJBXVCDLSA-N 2 0 297.399 -0.674 20 0 CBADRP C[C@]1(C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)CC[NH2+]C1 ZINC001550088925 923676191 /nfs/dbraw/zinc/67/61/91/923676191.db2.gz YJOWKXCMEMLILH-AAEUAGOBSA-N 2 0 278.360 -0.572 20 0 CBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)CCC[NH3+])CC2)C1=O ZINC001550093143 923677876 /nfs/dbraw/zinc/67/78/76/923677876.db2.gz WUNWRAPVMRMSAJ-GFCCVEGCSA-N 2 0 282.388 -0.463 20 0 CBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)CCC[NH3+])CC2)C1=O ZINC001550093144 923678336 /nfs/dbraw/zinc/67/83/36/923678336.db2.gz WUNWRAPVMRMSAJ-LBPRGKRZSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H]1[C@@H](C(=O)N2CC[C@@H](n3cc(C[NH3+])nn3)C2)CC[N@@H+]1C ZINC001550096573 923678522 /nfs/dbraw/zinc/67/85/22/923678522.db2.gz LISYPGKNFMCJFW-RTXFEEFZSA-N 2 0 292.387 -0.150 20 0 CBADRP CC[NH2+]CC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001550092576 923679009 /nfs/dbraw/zinc/67/90/09/923679009.db2.gz JBSWOWYYUQDKGR-LBPRGKRZSA-N 2 0 282.388 -0.593 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCN(C(=O)C[C@H]3CCC[NH2+]3)C2)nn1 ZINC001550097232 923681433 /nfs/dbraw/zinc/68/14/33/923681433.db2.gz FAOBSNYMPRVNJN-PWSUYJOCSA-N 2 0 278.360 -0.348 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001550096993 923681545 /nfs/dbraw/zinc/68/15/45/923681545.db2.gz WPQGRGZRACTPHA-ADEWGFFLSA-N 2 0 278.360 -0.634 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCN(C(=O)[C@@]3(F)CC[NH2+]C3)C2)nn1 ZINC001550097460 923681963 /nfs/dbraw/zinc/68/19/63/923681963.db2.gz NAYXEKYKSVJTKX-CMPLNLGQSA-N 2 0 282.323 -0.788 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@]3(F)CC[NH2+]C3)C2)nn1 ZINC001550097464 923682294 /nfs/dbraw/zinc/68/22/94/923682294.db2.gz NAYXEKYKSVJTKX-PWSUYJOCSA-N 2 0 282.323 -0.788 20 0 CBADRP CC(=O)N1CC[C@]([NH3+])(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC001550103753 923683469 /nfs/dbraw/zinc/68/34/69/923683469.db2.gz ISPQDEYINHXFBD-UMVBOHGHSA-N 2 0 294.399 -0.511 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]([NH3+])C3CCC3)C2)CC1 ZINC001550117147 923689429 /nfs/dbraw/zinc/68/94/29/923689429.db2.gz WHBWQQFHPRKDPK-KGLIPLIRSA-N 2 0 280.416 -0.038 20 0 CBADRP [NH3+]CC12CC(NC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)(C1)C2 ZINC001550118200 923689684 /nfs/dbraw/zinc/68/96/84/923689684.db2.gz PXRSHIFWEVDWFD-BCVKRFQSSA-N 2 0 265.357 -0.153 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550116812 923689959 /nfs/dbraw/zinc/68/99/59/923689959.db2.gz RYBGTPAGCNGPOI-CHWSQXEVSA-N 2 0 268.405 -0.167 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550117341 923690140 /nfs/dbraw/zinc/69/01/40/923690140.db2.gz YPJOAFCOSIVMCE-STQMWFEESA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550117075 923690813 /nfs/dbraw/zinc/69/08/13/923690813.db2.gz UMEVUMYVLDSXHJ-STQMWFEESA-N 2 0 268.405 -0.038 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)C3CC([NH3+])C3)C2)CC1 ZINC001550117127 923690886 /nfs/dbraw/zinc/69/08/86/923690886.db2.gz VYSIFKQVSUNYAF-WXRRBKDZSA-N 2 0 266.389 -0.428 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)C2)CC1 ZINC001550116765 923691463 /nfs/dbraw/zinc/69/14/63/923691463.db2.gz RPJWOOXYEPNBHI-BFHYXJOUSA-N 2 0 280.416 -0.038 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)C[C@H]([NH3+])C3CC3)C2)CC1 ZINC001550117058 923691786 /nfs/dbraw/zinc/69/17/86/923691786.db2.gz UHHNSHNTDQWLPF-KGLIPLIRSA-N 2 0 280.416 -0.038 20 0 CBADRP C[C@]12C[NH2+]C[C@@H]1CN(C(=O)[C@@H]1C[NH2+]CCOC1)C2 ZINC001550117461 923692288 /nfs/dbraw/zinc/69/22/88/923692288.db2.gz VOUHJYGTSSQNQA-NQBHXWOUSA-N 2 0 253.346 -0.710 20 0 CBADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001550122402 923693431 /nfs/dbraw/zinc/69/34/31/923693431.db2.gz GDUALWWLFOFSFZ-COMQUAJESA-N 2 0 279.384 -0.083 20 0 CBADRP [NH3+]CC12CC(NC(=O)c3ncn([C@H]4CCC[NH2+]C4)n3)(C1)C2 ZINC001550119849 923697147 /nfs/dbraw/zinc/69/71/47/923697147.db2.gz XXXRHFUDBISLGB-FNBIGBAISA-N 2 0 290.371 -0.186 20 0 CBADRP CC(=O)N1C[C@@H]2C[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)C[C@H]2C1 ZINC001550174467 923703617 /nfs/dbraw/zinc/70/36/17/923703617.db2.gz KQSNDQGTPBZWSH-MELADBBJSA-N 2 0 279.384 -0.083 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001550186585 923707195 /nfs/dbraw/zinc/70/71/95/923707195.db2.gz IMMGPSFNZMWZFZ-WUHRBBMRSA-N 2 0 285.388 -0.295 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001550185901 923707262 /nfs/dbraw/zinc/70/72/62/923707262.db2.gz MDYQQVRFTJTLFY-CQSZACIVSA-N 2 0 299.415 -0.033 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550190313 923709551 /nfs/dbraw/zinc/70/95/51/923709551.db2.gz SIIHPMXOMQAUMD-RYUDHWBXSA-N 2 0 292.387 -0.326 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CCC12CCC2 ZINC001550206559 923709673 /nfs/dbraw/zinc/70/96/73/923709673.db2.gz VLXZCGDSHWLLJW-ZDUSSCGKSA-N 2 0 296.415 -0.170 20 0 CBADRP O=C([C@H]1C[NH2+]CCOC1)N1CC[NH2+]CCC12CCC2 ZINC001550200443 923709940 /nfs/dbraw/zinc/70/99/40/923709940.db2.gz IEQORQPQPOOYSA-LBPRGKRZSA-N 2 0 267.373 -0.033 20 0 CBADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2C[C@H]2[NH3+])CC1 ZINC001550204871 923710592 /nfs/dbraw/zinc/71/05/92/923710592.db2.gz UATYXVKIPQIBLF-VXGBXAGGSA-N 2 0 294.399 -0.334 20 0 CBADRP N[C@@H]1CN(C(=O)NCc2cccc3c2CC[NH2+]C3)C[C@@H]1[NH3+] ZINC001550272410 923712153 /nfs/dbraw/zinc/71/21/53/923712153.db2.gz PCITUJXXUPOJNO-OKILXGFUSA-N 2 0 289.383 -0.488 20 0 CBADRP [NH3+][C@@H]1COCC[C@H]1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC001550269219 923712540 /nfs/dbraw/zinc/71/25/40/923712540.db2.gz VPFOCFFSXLCNOJ-WDHPUFTPSA-N 2 0 254.334 -0.846 20 0 CBADRP N[C@@H]1CN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)C[C@@H]1[NH3+] ZINC001550267339 923712581 /nfs/dbraw/zinc/71/25/81/923712581.db2.gz UUOCKGXCXSFESH-HZSPNIEDSA-N 2 0 289.383 -0.447 20 0 CBADRP [NH3+][C@@H]1COCCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC001550273798 923712820 /nfs/dbraw/zinc/71/28/20/923712820.db2.gz YJGRFONDYWVIRT-QWRGUYRKSA-N 2 0 268.361 -0.360 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001550236595 923714209 /nfs/dbraw/zinc/71/42/09/923714209.db2.gz FLWBFOQWQHLKTE-SGMGOOAPSA-N 2 0 267.373 -0.299 20 0 CBADRP N[C@H]1CN(C(=O)NCC2CC[NH+](CC3CC3)CC2)C[C@@H]1[NH3+] ZINC001550269711 923714250 /nfs/dbraw/zinc/71/42/50/923714250.db2.gz HKOSHKWWVRMZCF-KBPBESRZSA-N 2 0 295.431 -0.212 20 0 CBADRP [NH3+][C@@H]1COCC[C@H]1NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001550269563 923714350 /nfs/dbraw/zinc/71/43/50/923714350.db2.gz GGFOANRQTHINHZ-MXWKQRLJSA-N 2 0 268.361 -0.314 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)nn1 ZINC001550232361 923714454 /nfs/dbraw/zinc/71/44/54/923714454.db2.gz XRPSZXWQRPUTMT-CQSZACIVSA-N 2 0 292.387 -0.157 20 0 CBADRP [NH3+][C@H]1COCC[C@H]1NC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550284071 923715532 /nfs/dbraw/zinc/71/55/32/923715532.db2.gz GJJMEQHMESCKJK-NTWDBFDFSA-N 2 0 282.388 -0.068 20 0 CBADRP [NH3+][C@H]1C[C@@H]([N@@H+]2CC[C@H](CN3CCCC3=O)C2)[C@@H](O)C1 ZINC001550437272 923730830 /nfs/dbraw/zinc/73/08/30/923730830.db2.gz VSCCWHRVVNAGJN-RVMXOQNASA-N 2 0 267.373 -0.219 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CCCO1 ZINC001550720637 923737418 /nfs/dbraw/zinc/73/74/18/923737418.db2.gz LDSCVIGWOJCMHA-NOOOWODRSA-N 2 0 269.345 -0.918 20 0 CBADRP C[C@]12C[NH2+]C[C@@H]1CN(C(=O)[C@@H]1C[C@@H]3OCC[C@H]3[NH2+]1)C2 ZINC001550722167 923737824 /nfs/dbraw/zinc/73/78/24/923737824.db2.gz DFFMUFDJIGUTAC-VXUPGSCNSA-N 2 0 265.357 -0.426 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[C@@H]1C[NH3+] ZINC001550731173 923741193 /nfs/dbraw/zinc/74/11/93/923741193.db2.gz LDWWLGINIUKGPR-UPJWGTAASA-N 2 0 284.404 -0.009 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC12CCC2 ZINC001550732633 923741311 /nfs/dbraw/zinc/74/13/11/923741311.db2.gz HJTRCPIPWAIMHZ-NWDGAFQWSA-N 2 0 282.388 -0.112 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001550733551 923741895 /nfs/dbraw/zinc/74/18/95/923741895.db2.gz BRSUBUBAABJLNC-CBKZZEEASA-N 2 0 264.373 -0.011 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001550731510 923741913 /nfs/dbraw/zinc/74/19/13/923741913.db2.gz ASSVOHJIBDFGHS-AGIUHOORSA-N 2 0 284.404 -0.090 20 0 CBADRP CO[C@H]1C[C@@H](C[NH3+])N(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC001550740862 923744389 /nfs/dbraw/zinc/74/43/89/923744389.db2.gz HSVLEDCAXJGDBY-ZRZGDYATSA-N 2 0 268.361 -0.504 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)N1CCC[C@]12CC[NH2+]C2 ZINC001550733627 923744973 /nfs/dbraw/zinc/74/49/73/923744973.db2.gz XEWBSWKLXVXPEO-TZMCWYRMSA-N 2 0 282.388 -0.098 20 0 CBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N2CC[NH2+]C[C@H](O)C2)C1 ZINC001550748816 923746451 /nfs/dbraw/zinc/74/64/51/923746451.db2.gz VMWPSYNBSGDMSF-RYUDHWBXSA-N 2 0 284.404 -0.260 20 0 CBADRP [NH3+]C1CC(NC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001550771063 923747750 /nfs/dbraw/zinc/74/77/50/923747750.db2.gz ZCIQNDDHUOTCPS-MCIGGMRASA-N 2 0 282.388 -0.066 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001550756220 923748347 /nfs/dbraw/zinc/74/83/47/923748347.db2.gz PJRRVEMZKFIOGQ-VXGBXAGGSA-N 2 0 282.388 -0.112 20 0 CBADRP C[C@@H]1C(=O)NCCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC001551396840 923771847 /nfs/dbraw/zinc/77/18/47/923771847.db2.gz SQSVCLNPOOCPGL-YRGRVCCFSA-N 2 0 267.373 -0.035 20 0 CBADRP CNC(=O)[C@]12C[N@H+](CC3CC([NH3+])C3)C[C@@H]1COCC2 ZINC001551412509 923780585 /nfs/dbraw/zinc/78/05/85/923780585.db2.gz VKXISGRNWQUHSL-YFTKGUKSSA-N 2 0 267.373 -0.192 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CC[NH2+]CCC12CCOCC2 ZINC001551463457 923795339 /nfs/dbraw/zinc/79/53/39/923795339.db2.gz JVKGZFCZTJIYRF-ZDUSSCGKSA-N 2 0 297.399 -0.264 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)C[C@@]2(C)C1 ZINC001551462831 923795511 /nfs/dbraw/zinc/79/55/11/923795511.db2.gz DMTDLZTXHJDSCF-DGMCESFYSA-N 2 0 279.384 -0.084 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001551460589 923796788 /nfs/dbraw/zinc/79/67/88/923796788.db2.gz AVWCPQUGGYZACR-NSHDSACASA-N 2 0 271.361 -0.669 20 0 CBADRP [NH3+][C@]12CC[C@@H]1CN(C(=O)[C@@H]1C[C@H]3OCC[C@H]3[NH2+]1)C2 ZINC001551466784 923797389 /nfs/dbraw/zinc/79/73/89/923797389.db2.gz WGUHPWNQOPGYGN-HMUNZLOLSA-N 2 0 251.330 -0.545 20 0 CBADRP O=C([C@@H]1C[C@H]2OCC[C@H]2[NH2+]1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001551467373 923798254 /nfs/dbraw/zinc/79/82/54/923798254.db2.gz ZLXTWZSVOFXNFZ-HZSPNIEDSA-N 2 0 295.383 -0.515 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001551466342 923798327 /nfs/dbraw/zinc/79/83/27/923798327.db2.gz SLRDXRKOMCTKJI-PPCPHDFISA-N 2 0 265.357 -0.426 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001551468899 923799238 /nfs/dbraw/zinc/79/92/38/923799238.db2.gz XADVQNNFSLFOQB-ZDUSSCGKSA-N 2 0 296.415 -0.739 20 0 CBADRP [NH3+][C@@H]1CC12CC(NC(=O)N[C@@H]1C[NH2+]CC13CCOCC3)C2 ZINC001551566303 923802612 /nfs/dbraw/zinc/80/26/12/923802612.db2.gz HCHFKGQXGNZMQW-HFXYEQLZSA-N 2 0 294.399 -0.066 20 0 CBADRP CO[C@@H]1C[C@H](C[NH3+])N(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001551569323 923803988 /nfs/dbraw/zinc/80/39/88/923803988.db2.gz OLSDDPPVVFZJMO-PFVDFNESSA-N 2 0 268.361 -0.376 20 0 CBADRP CC1(C)CN(C(=O)NC2CC3(C[C@H]3[NH3+])C2)CC[N@@H+]1CCO ZINC001551580177 923805149 /nfs/dbraw/zinc/80/51/49/923805149.db2.gz JZGZPPQEVODJHS-MQYJIDSJSA-N 2 0 296.415 -0.036 20 0 CBADRP [NH3+][C@H]1CC12CCC(NC(=O)N1CC[NH2+]C[C@@H](O)C1)CC2 ZINC001551567656 923805237 /nfs/dbraw/zinc/80/52/37/923805237.db2.gz RWJXHTAWNPQTTH-BEVNXUHPSA-N 2 0 282.388 -0.378 20 0 CBADRP C[C@@H]1CN(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)C[C@H](C)[N@H+]1CCO ZINC001551604299 923807782 /nfs/dbraw/zinc/80/77/82/923807782.db2.gz GBLPDHHLGWYPNM-SOULVHCYSA-N 2 0 296.415 -0.037 20 0 CBADRP CC(C)(O)C[NH+]1CCN(C(=O)NC2CC3(C[C@H]3[NH3+])C2)CC1 ZINC001551594279 923808540 /nfs/dbraw/zinc/80/85/40/923808540.db2.gz PSWDZBGDOKEDAC-MQYJIDSJSA-N 2 0 296.415 -0.036 20 0 CBADRP C[N@@H+]1CCCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC001552087608 923828391 /nfs/dbraw/zinc/82/83/91/923828391.db2.gz ZMPXEHVNHIRUAO-LLVKDONJSA-N 2 0 278.360 -0.410 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC001552088046 923829345 /nfs/dbraw/zinc/82/93/45/923829345.db2.gz QOTPDJLBDDKMQN-VWYCJHECSA-N 2 0 278.360 -0.330 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CCC[C@H]2C[NH2+]C[C@@H]21 ZINC001552087924 923829387 /nfs/dbraw/zinc/82/93/87/923829387.db2.gz PKLBZXKVSZQSKJ-LOWVWBTDSA-N 2 0 290.371 -0.364 20 0 CBADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552086426 923829418 /nfs/dbraw/zinc/82/94/18/923829418.db2.gz GVCNROHOHQHJRH-KXUCPTDWSA-N 2 0 264.333 -0.626 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cnn1C ZINC001552091552 923832247 /nfs/dbraw/zinc/83/22/47/923832247.db2.gz ZCUQRMAYHUZRFS-HYNSBDGHSA-N 2 0 291.399 -0.163 20 0 CBADRP [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552090784 923832488 /nfs/dbraw/zinc/83/24/88/923832488.db2.gz TTYFZURZTPWUAU-MXWKQRLJSA-N 2 0 278.360 -0.188 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001552106265 923833526 /nfs/dbraw/zinc/83/35/26/923833526.db2.gz IROFYMZHUIRYRZ-RAIGVLPGSA-N 2 0 294.403 -0.194 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001552106271 923834217 /nfs/dbraw/zinc/83/42/17/923834217.db2.gz IROFYMZHUIRYRZ-WXHSDQCUSA-N 2 0 294.403 -0.194 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)NC[C@@H]3CCC[NH2+]3)C[C@@H]2[NH3+])cn1 ZINC001552110022 923834492 /nfs/dbraw/zinc/83/44/92/923834492.db2.gz REVWTIFQQYWPIW-AVGNSLFASA-N 2 0 292.387 -0.392 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001552157980 923838091 /nfs/dbraw/zinc/83/80/91/923838091.db2.gz AMCNIKVOMOVQGV-OUAUKWLOSA-N 2 0 276.344 -0.896 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C2CC[NH2+]CC2)CCO1 ZINC001552158637 923838103 /nfs/dbraw/zinc/83/81/03/923838103.db2.gz ODPHBBASNHXBHJ-UPJWGTAASA-N 2 0 267.373 -0.192 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001552160814 923838805 /nfs/dbraw/zinc/83/88/05/923838805.db2.gz QUAQLAMOGDGAGB-CHWSQXEVSA-N 2 0 281.400 -0.066 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552159229 923839437 /nfs/dbraw/zinc/83/94/37/923839437.db2.gz VPRNOZYJGDJOOJ-XQQFMLRXSA-N 2 0 267.373 -0.273 20 0 CBADRP O=C([C@@H]1C[C@@H]1C1CC[NH2+]CC1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC001552160026 923839552 /nfs/dbraw/zinc/83/95/52/923839552.db2.gz IHNDCBJZCYDQLX-SYQHCUMBSA-N 2 0 279.384 -0.179 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552161666 923839771 /nfs/dbraw/zinc/83/97/71/923839771.db2.gz QPJKKZRRMFIKSR-WDEREUQCSA-N 2 0 278.360 -0.364 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC001552160823 923840157 /nfs/dbraw/zinc/84/01/57/923840157.db2.gz QUAQLAMOGDGAGB-STQMWFEESA-N 2 0 281.400 -0.066 20 0 CBADRP CN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1CC[NH2+]C1 ZINC001552160870 923840416 /nfs/dbraw/zinc/84/04/16/923840416.db2.gz MUQAVQZRLJEQPT-NXEZZACHSA-N 2 0 264.333 -0.754 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552163492 923841619 /nfs/dbraw/zinc/84/16/19/923841619.db2.gz QZZDTSKCAORUKP-QWRGUYRKSA-N 2 0 278.360 -0.458 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]C1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552163001 923842103 /nfs/dbraw/zinc/84/21/03/923842103.db2.gz INKKGJAQSXFMGM-QWRGUYRKSA-N 2 0 278.360 -0.458 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552162897 923842118 /nfs/dbraw/zinc/84/21/18/923842118.db2.gz RFBWKCXLOQNZIR-RKDXNWHRSA-N 2 0 252.322 -0.768 20 0 CBADRP C[NH2+]CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1C ZINC001552163828 923842442 /nfs/dbraw/zinc/84/24/42/923842442.db2.gz XLSDGXXARXOUKG-NEPJUHHUSA-N 2 0 265.361 -0.633 20 0 CBADRP [NH3+]C[C@H]1CCCCN1C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552163349 923843007 /nfs/dbraw/zinc/84/30/07/923843007.db2.gz OOHJNKZECDNOJY-MNOVXSKESA-N 2 0 278.360 -0.234 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552162533 923843122 /nfs/dbraw/zinc/84/31/22/923843122.db2.gz ATNPTZMWVHKFTI-HUUCEWRRSA-N 2 0 294.443 -0.014 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@H]2CCC[NH2+]C2)cnn1C ZINC001552162415 923843296 /nfs/dbraw/zinc/84/32/96/923843296.db2.gz ZINMYFXJFWZBOI-UBHSHLNASA-N 2 0 291.399 -0.100 20 0 CBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552164198 923844159 /nfs/dbraw/zinc/84/41/59/923844159.db2.gz PYVLWPLCTKAUES-JQWIXIFHSA-N 2 0 290.371 -0.316 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552164319 923844503 /nfs/dbraw/zinc/84/45/03/923844503.db2.gz SFJYVFIFMNJWBM-DCAQKATOSA-N 2 0 296.350 -0.416 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552164164 923844543 /nfs/dbraw/zinc/84/45/43/923844543.db2.gz OUWKWRRUTZVJQG-MXWKQRLJSA-N 2 0 278.360 -0.460 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552164406 923845095 /nfs/dbraw/zinc/84/50/95/923845095.db2.gz SZOFGFVPZQCPBM-RKDXNWHRSA-N 2 0 252.322 -0.850 20 0 CBADRP CC(C)[C@@H]1CN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC[NH2+]1 ZINC001552164432 923845139 /nfs/dbraw/zinc/84/51/39/923845139.db2.gz USEITGLLDXYIDA-NEPJUHHUSA-N 2 0 292.387 -0.118 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552193693 923847673 /nfs/dbraw/zinc/84/76/73/923847673.db2.gz BMECZWXJZDLAEP-MFKMUULPSA-N 2 0 253.346 -0.567 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C[C@@H](C)[NH2+]1 ZINC001552194743 923848081 /nfs/dbraw/zinc/84/80/81/923848081.db2.gz QSFXZMJCUQNOAA-UZWSLXQKSA-N 2 0 253.346 -0.569 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@@]12C[NH2+]C[C@H]1COC2)C1CC1 ZINC001552200329 923854928 /nfs/dbraw/zinc/85/49/28/923854928.db2.gz PPESIBRSYKHGDJ-OUCADQQQSA-N 2 0 267.373 -0.321 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552201586 923858003 /nfs/dbraw/zinc/85/80/03/923858003.db2.gz SMXKZEBLJVXSQX-DYEKYZERSA-N 2 0 283.372 -0.941 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552201112 923858032 /nfs/dbraw/zinc/85/80/32/923858032.db2.gz RKGZKOFWNKHRGY-YRGRVCCFSA-N 2 0 267.373 -0.320 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552201125 923858300 /nfs/dbraw/zinc/85/83/00/923858300.db2.gz RQLLDVWHFHYYRB-IUODEOHRSA-N 2 0 297.399 -0.551 20 0 CBADRP C[N@@H+]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552202470 923862289 /nfs/dbraw/zinc/86/22/89/923862289.db2.gz GTSCFZOWOTVSBZ-YPMHNXCESA-N 2 0 253.346 -0.614 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552202625 923862596 /nfs/dbraw/zinc/86/25/96/923862596.db2.gz LOXMOOZKPWMYAV-DCQANWLSSA-N 2 0 253.346 -0.663 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]CC1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552202884 923863588 /nfs/dbraw/zinc/86/35/88/923863588.db2.gz RYPXWJBFAOXENQ-NQBHXWOUSA-N 2 0 253.346 -0.519 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)C[C@H]12 ZINC001552202691 923863778 /nfs/dbraw/zinc/86/37/78/923863778.db2.gz MHTOGAMEIHFHHR-DIACKHNESA-N 2 0 265.357 -0.582 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC[NH2+]1 ZINC001552202741 923863858 /nfs/dbraw/zinc/86/38/58/923863858.db2.gz NVWYWFZKYUOUNT-UZWSLXQKSA-N 2 0 253.346 -0.521 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552204528 923864691 /nfs/dbraw/zinc/86/46/91/923864691.db2.gz RTDQSFWYVCTIAF-IQJOONFLSA-N 2 0 275.299 -0.664 20 0 CBADRP O=C(N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552204639 923864731 /nfs/dbraw/zinc/86/47/31/923864731.db2.gz TYYVKBYYZCTGTJ-OWTLIXCDSA-N 2 0 265.357 -0.567 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552203287 923864996 /nfs/dbraw/zinc/86/49/96/923864996.db2.gz ZDRJREAADICBFO-SCRDCRAPSA-N 2 0 267.373 -0.190 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC12CC2 ZINC001552204443 923865645 /nfs/dbraw/zinc/86/56/45/923865645.db2.gz NDHTWKVUZHUZRQ-CWSCBRNRSA-N 2 0 251.330 -0.828 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552214993 923867370 /nfs/dbraw/zinc/86/73/70/923867370.db2.gz ACGTYLQETCGUHM-RKDXNWHRSA-N 2 0 252.322 -0.850 20 0 CBADRP [NH3+]C[C@H](NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)C(F)(F)F ZINC001552210913 923868637 /nfs/dbraw/zinc/86/86/37/923868637.db2.gz YXAQJLLLDPJNQS-SVRRBLITSA-N 2 0 292.265 -0.568 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552206046 923869399 /nfs/dbraw/zinc/86/93/99/923869399.db2.gz ZPQBBXSEZXESFS-SCRDCRAPSA-N 2 0 267.373 -0.368 20 0 CBADRP C[C@@]1(NC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC[NH2+]C1 ZINC001552217032 923871284 /nfs/dbraw/zinc/87/12/84/923871284.db2.gz ZKORJBNIJIPQEC-BXKDBHETSA-N 2 0 264.333 -0.706 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@H]2CCC[NH2+]CC2)C[C@@H]1n1ccnn1 ZINC001552254848 923873845 /nfs/dbraw/zinc/87/38/45/923873845.db2.gz BITZWNSDBUSBBR-TUAOUCFPSA-N 2 0 278.360 -0.622 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001552245792 923874156 /nfs/dbraw/zinc/87/41/56/923874156.db2.gz GVBKGEVYUAHQLS-AVGNSLFASA-N 2 0 281.404 -0.574 20 0 CBADRP [NH3+][C@@H]1COCCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC001552260107 923874659 /nfs/dbraw/zinc/87/46/59/923874659.db2.gz AKUFRRBHQTWPDR-QJPTWQEYSA-N 2 0 253.346 -0.297 20 0 CBADRP C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1COC2)C1CC[NH2+]CC1 ZINC001552259756 923874676 /nfs/dbraw/zinc/87/46/76/923874676.db2.gz QHCSXNPNWPOGIW-SUHUHFCYSA-N 2 0 267.373 -0.273 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@H]2CCC[NH2+]CC2)C[C@H]1n1ccnn1 ZINC001552254847 923874908 /nfs/dbraw/zinc/87/49/08/923874908.db2.gz BITZWNSDBUSBBR-QJPTWQEYSA-N 2 0 278.360 -0.622 20 0 CBADRP C[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552272924 923876591 /nfs/dbraw/zinc/87/65/91/923876591.db2.gz GCPJRMLHCUAJDF-PRULPYPASA-N 2 0 290.371 -0.365 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552274169 923876660 /nfs/dbraw/zinc/87/66/60/923876660.db2.gz HZEWYNDYMJIDIF-PYULLRNSSA-N 2 0 265.357 -0.295 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552274089 923877515 /nfs/dbraw/zinc/87/75/15/923877515.db2.gz GJRCUQNNPOFYLX-OPRDCNLKSA-N 2 0 264.333 -0.626 20 0 CBADRP C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552272925 923877929 /nfs/dbraw/zinc/87/79/29/923877929.db2.gz GCPJRMLHCUAJDF-UZWSLXQKSA-N 2 0 290.371 -0.365 20 0 CBADRP CCN(C(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[C@@H]1CC[NH2+]C1 ZINC001552283499 923879142 /nfs/dbraw/zinc/87/91/42/923879142.db2.gz GFBAWNWORWSRDF-MNOVXSKESA-N 2 0 278.360 -0.364 20 0 CBADRP C[C@H](NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)C1CC[NH2+]CC1 ZINC001552276037 923879454 /nfs/dbraw/zinc/87/94/54/923879454.db2.gz WCQPPFQUKIKFAU-CMPLNLGQSA-N 2 0 292.387 -0.070 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552283570 923879568 /nfs/dbraw/zinc/87/95/68/923879568.db2.gz MMNDXLONULCOMX-ORXSELOVSA-N 2 0 253.346 -0.536 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N(C)C[C@H](C)[NH3+])cnn1C ZINC001552276442 923880692 /nfs/dbraw/zinc/88/06/92/923880692.db2.gz LRDRUVMOYKLYMD-TVYUQYBPSA-N 2 0 279.388 -0.163 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)N2C[C@@H](N)[C@H]([NH3+])C2)CC1 ZINC001552291473 923882057 /nfs/dbraw/zinc/88/20/57/923882057.db2.gz AHCVMEFQJYKZOF-JHJVBQTASA-N 2 0 295.431 -0.213 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552284594 923882087 /nfs/dbraw/zinc/88/20/87/923882087.db2.gz BFOMMKHAIJHMEC-HOSYDEDBSA-N 2 0 289.326 -0.417 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)[C@H]1C[NH2+]CCOC1 ZINC001552284893 923882656 /nfs/dbraw/zinc/88/26/56/923882656.db2.gz FWBCKQXVPQQRFP-UWVGGRQHSA-N 2 0 277.315 -0.417 20 0 CBADRP C[C@@H]([NH3+])CCNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001552292638 923883010 /nfs/dbraw/zinc/88/30/10/923883010.db2.gz VIHWWFNUNBQDEO-NEPJUHHUSA-N 2 0 269.393 -0.587 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001552336773 923886659 /nfs/dbraw/zinc/88/66/59/923886659.db2.gz DGMYDLIYTKXTOG-UPJWGTAASA-N 2 0 281.404 -0.717 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]1[NH+]1CC[C@H](O)C1 ZINC001552311663 923886740 /nfs/dbraw/zinc/88/67/40/923886740.db2.gz DFGRGQLTNFXVJO-XJFOESAGSA-N 2 0 296.415 -0.023 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001552344940 923888039 /nfs/dbraw/zinc/88/80/39/923888039.db2.gz ZRMCJURVEBMBJE-MXWKQRLJSA-N 2 0 256.350 -0.647 20 0 CBADRP [NH3+]CCC1CC(NC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC001552344714 923888101 /nfs/dbraw/zinc/88/81/01/923888101.db2.gz LZKWCPDIAMIWMQ-MCIGGMRASA-N 2 0 270.377 -0.127 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)N[C@@H]3C[NH2+]C[C@H]3F)C[C@@H]2[NH3+])cn1 ZINC001552349575 923888349 /nfs/dbraw/zinc/88/83/49/923888349.db2.gz HOFZIUCJOAFOLN-WHOHXGKFSA-N 2 0 296.350 -0.834 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2C[NH2+]C[C@@H]2F)CCCO1 ZINC001552348477 923888616 /nfs/dbraw/zinc/88/86/16/923888616.db2.gz FZNHSNYRVMGBLV-UTLUCORTSA-N 2 0 260.313 -0.945 20 0 CBADRP [NH3+]CCC1CC(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC001552348103 923888638 /nfs/dbraw/zinc/88/86/38/923888638.db2.gz XFMDDVWXSDGRDX-RUXDESIVSA-N 2 0 295.431 -0.197 20 0 CBADRP C[C@@H]([NH3+])CCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001552419477 923895808 /nfs/dbraw/zinc/89/58/08/923895808.db2.gz XOPMMDMVSVRDHJ-RKDXNWHRSA-N 2 0 251.334 -0.046 20 0 CBADRP Cc1c(C(=O)N2CC[NH2+]CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552418659 923895971 /nfs/dbraw/zinc/89/59/71/923895971.db2.gz QXUOMFJPQVSKDB-SNVBAGLBSA-N 2 0 264.333 -0.834 20 0 CBADRP Cc1c(C(=O)NC(C)(C)C[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552419435 923896848 /nfs/dbraw/zinc/89/68/48/923896848.db2.gz WOPGXWCPAQWNQW-SECBINFHSA-N 2 0 266.349 -0.412 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)C1 ZINC001552419212 923897071 /nfs/dbraw/zinc/89/70/71/923897071.db2.gz LKWLBLDKTSMISV-NWDGAFQWSA-N 2 0 292.387 -0.055 20 0 CBADRP Cc1c(C(=O)NCC2CC[NH2+]CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552418406 923897194 /nfs/dbraw/zinc/89/71/94/923897194.db2.gz KRSJAWRHEOTGHO-GFCCVEGCSA-N 2 0 292.387 -0.150 20 0 CBADRP Cc1c(C(=O)NCC(C)(C)[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552420408 923898332 /nfs/dbraw/zinc/89/83/32/923898332.db2.gz VZUBKTZKQVPZHY-SECBINFHSA-N 2 0 266.349 -0.412 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CCO1 ZINC001552420626 923898472 /nfs/dbraw/zinc/89/84/72/923898472.db2.gz QPUAFBZDCLMVON-NHCYSSNCSA-N 2 0 293.371 -0.325 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]C2)CCO1 ZINC001552420463 923898776 /nfs/dbraw/zinc/89/87/76/923898776.db2.gz CZHOQTNNSRRMSS-TUAOUCFPSA-N 2 0 255.362 -0.049 20 0 CBADRP Cc1c(C(=O)N2CC[NH2+][C@H](C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552420378 923899879 /nfs/dbraw/zinc/89/98/79/923899879.db2.gz PDDZYIJCKKNFSA-KOLCDFICSA-N 2 0 278.360 -0.445 20 0 CBADRP O=C(NC[C@@H]1C[C@@H](F)C[NH2+]1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001552430653 923901587 /nfs/dbraw/zinc/90/15/87/923901587.db2.gz TYQHCDROJNZKPX-BBBLOLIVSA-N 2 0 281.335 -0.084 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+]C1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001552437076 923903317 /nfs/dbraw/zinc/90/33/17/923903317.db2.gz WZJJYJHWBJDMEG-NXEZZACHSA-N 2 0 263.345 -0.174 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[NH2+]C2)CC1 ZINC001552436072 923903497 /nfs/dbraw/zinc/90/34/97/923903497.db2.gz YJWZEWBBARCICH-CYBMUJFWSA-N 2 0 268.405 -0.260 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CCO1 ZINC001552436596 923904283 /nfs/dbraw/zinc/90/42/83/923904283.db2.gz RBAIISSWFFWRAK-UWVGGRQHSA-N 2 0 279.344 -0.714 20 0 CBADRP Cc1c(C(=O)N2CC[C@H]([NH+](C)C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552437011 923905280 /nfs/dbraw/zinc/90/52/80/923905280.db2.gz LGPCRFIZBSBULR-RYUDHWBXSA-N 2 0 292.387 -0.103 20 0 CBADRP O=C(c1cnnn1C1CC[NH2+]CC1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001552437980 923906492 /nfs/dbraw/zinc/90/64/92/923906492.db2.gz UVHUIPHPNLKBMM-QWRGUYRKSA-N 2 0 290.371 -0.506 20 0 CBADRP O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001552438178 923907408 /nfs/dbraw/zinc/90/74/08/923907408.db2.gz ZNLCBQZLOLYQBR-GARJFASQSA-N 2 0 275.356 -0.222 20 0 CBADRP Cc1c(C(=O)N(C)CCC[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552437853 923907553 /nfs/dbraw/zinc/90/75/53/923907553.db2.gz FACQMXPQDACSRV-SNVBAGLBSA-N 2 0 266.349 -0.458 20 0 CBADRP Cc1c(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552437206 923907849 /nfs/dbraw/zinc/90/78/49/923907849.db2.gz LGXBVYJKYNFION-SRVKXCTJSA-N 2 0 290.371 -0.588 20 0 CBADRP Cc1c(C(=O)N[C@@H]2CCC[NH2+]CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552438201 923908073 /nfs/dbraw/zinc/90/80/73/923908073.db2.gz ZOHGSDHUHWXEIF-VXGBXAGGSA-N 2 0 292.387 -0.007 20 0 CBADRP C[NH2+]CCN(C)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001552437166 923908201 /nfs/dbraw/zinc/90/82/01/923908201.db2.gz YYKDIWOQHPZJRA-NSHDSACASA-N 2 0 280.376 -0.116 20 0 CBADRP Cc1c(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552438342 923908252 /nfs/dbraw/zinc/90/82/52/923908252.db2.gz MTFOJRJKLNMPCC-GARJFASQSA-N 2 0 296.350 -0.449 20 0 CBADRP Cc1c(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552442351 923909093 /nfs/dbraw/zinc/90/90/93/923909093.db2.gz PWBJZTSHWQBGOA-GDPRMGEGSA-N 2 0 278.360 -0.460 20 0 CBADRP Cc1c(C(=O)N(C)[C@H](C[NH3+])C2CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552441711 923909658 /nfs/dbraw/zinc/90/96/58/923909658.db2.gz KAKKKNHIKRXZIZ-NWDGAFQWSA-N 2 0 292.387 -0.070 20 0 CBADRP Cc1c(C(=O)N(C)[C@@H](C[NH3+])C2CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552441714 923910016 /nfs/dbraw/zinc/91/00/16/923910016.db2.gz KAKKKNHIKRXZIZ-RYUDHWBXSA-N 2 0 292.387 -0.070 20 0 CBADRP Cc1c(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552442352 923910330 /nfs/dbraw/zinc/91/03/30/923910330.db2.gz PWBJZTSHWQBGOA-INTQDDNPSA-N 2 0 278.360 -0.460 20 0 CBADRP O=C([C@@H]1CCCC[NH2+]C1)N1CCO[C@H]2C[NH2+]C[C@@H]21 ZINC001552440692 923910362 /nfs/dbraw/zinc/91/03/62/923910362.db2.gz DXKTXLIPGQTYMH-WOPDTQHZSA-N 2 0 253.346 -0.425 20 0 CBADRP Cc1c(C(=O)N2C[C@@H]([NH3+])C3(CC3)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552442066 923910876 /nfs/dbraw/zinc/91/08/76/923910876.db2.gz MOIMACRDXSVRHK-WDEREUQCSA-N 2 0 290.371 -0.316 20 0 CBADRP Cc1c(C(=O)N2CC[C@H](F)[C@@H]([NH3+])C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552440180 923911168 /nfs/dbraw/zinc/91/11/68/923911168.db2.gz RUQQYILKVJEQQD-DCAQKATOSA-N 2 0 296.350 -0.368 20 0 CBADRP [NH3+][C@H]1COCCN(C(=O)c2c[nH]c(C3CC[NH2+]CC3)n2)C1 ZINC001552704252 923915453 /nfs/dbraw/zinc/91/54/53/923915453.db2.gz ONSCXJCNDPPGFQ-LLVKDONJSA-N 2 0 293.371 -0.324 20 0 CBADRP [NH3+][C@@H]1COCCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC001552762649 923918339 /nfs/dbraw/zinc/91/83/39/923918339.db2.gz HJZJXQRSQURDHG-ZJUUUORDSA-N 2 0 279.344 -0.714 20 0 CBADRP O=C(CNC(=O)[C@]12CCC[C@@H]1[NH2+]CC2)N1CC[NH2+]CC1 ZINC001552819567 923919308 /nfs/dbraw/zinc/91/93/08/923919308.db2.gz LKHANLCGRWFFKA-FZMZJTMJSA-N 2 0 280.372 -0.933 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001552819774 923920240 /nfs/dbraw/zinc/92/02/40/923920240.db2.gz TUPGJESPABWGEF-JSGCOSHPSA-N 2 0 266.389 -0.460 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC001552837551 923920523 /nfs/dbraw/zinc/92/05/23/923920523.db2.gz ICNVSDQLILBLCK-RNFRBKRXSA-N 2 0 288.302 -0.173 20 0 CBADRP O=C(CNC(=O)[C@@]12CCC[C@H]1[NH2+]CC2)N1CC[NH2+]CC1 ZINC001552819566 923921023 /nfs/dbraw/zinc/92/10/23/923921023.db2.gz LKHANLCGRWFFKA-BXUZGUMPSA-N 2 0 280.372 -0.933 20 0 CBADRP Cc1c(C(=O)N(C)C[C@@H](C)[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552847533 923922487 /nfs/dbraw/zinc/92/24/87/923922487.db2.gz AVBJCTDDDVADIS-SCZZXKLOSA-N 2 0 266.349 -0.460 20 0 CBADRP Cc1c(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552848790 923923410 /nfs/dbraw/zinc/92/34/10/923923410.db2.gz DIJQUBJZXQTGIW-WCQGTBRESA-N 2 0 292.387 -0.212 20 0 CBADRP C[C@H]1[NH2+]CC[C@@H]1NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC001552916520 923925647 /nfs/dbraw/zinc/92/56/47/923925647.db2.gz HIXMPVBVKIPOCB-YPMHNXCESA-N 2 0 289.383 -0.029 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001552954334 923927452 /nfs/dbraw/zinc/92/74/52/923927452.db2.gz SMMJBKSRCBJMSF-TZMCWYRMSA-N 2 0 281.404 -0.525 20 0 CBADRP N[C@@H]1CN(C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C[C@@H]1[NH3+] ZINC001552959916 923927548 /nfs/dbraw/zinc/92/75/48/923927548.db2.gz IGXWRKDEPLYVIV-SCRDCRAPSA-N 2 0 281.404 -0.458 20 0 CBADRP N[C@@H]1CN(C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001552959914 923928617 /nfs/dbraw/zinc/92/86/17/923928617.db2.gz IGXWRKDEPLYVIV-BZPMIXESSA-N 2 0 281.404 -0.458 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1NCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC001552973515 923931959 /nfs/dbraw/zinc/93/19/59/923931959.db2.gz MKIPMQOPXSHGBY-MDZLAQPJSA-N 2 0 264.377 -0.100 20 0 CBADRP CC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C[C@H]21 ZINC001553013788 923933927 /nfs/dbraw/zinc/93/39/27/923933927.db2.gz DRQUOJOXOIGRFV-MGPQQGTHSA-N 2 0 295.383 -0.704 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001553013965 923934242 /nfs/dbraw/zinc/93/42/42/923934242.db2.gz FSTIRUVTSPJUHM-NWDGAFQWSA-N 2 0 267.373 -0.083 20 0 CBADRP [NH3+][C@@H]1COCC[C@@H]1NCc1ccc(N2CC[NH2+]CC2)o1 ZINC001553310071 923950756 /nfs/dbraw/zinc/95/07/56/923950756.db2.gz QRAICDALYUBGCE-OLZOCXBDSA-N 2 0 280.372 -0.105 20 0 CBADRP CN1CC[C@]2(C(=O)N3CCC([NH3+])CC3)C[NH2+]C[C@@H]2C1 ZINC001553345829 923950765 /nfs/dbraw/zinc/95/07/65/923950765.db2.gz XRTJHHHMSCMREV-RISCZKNCSA-N 2 0 266.389 -0.523 20 0 CBADRP O=C(NC1CC[NH2+]CC1)[C@@]12C[NH2+]C[C@@H]1CCOC2 ZINC001553342402 923951156 /nfs/dbraw/zinc/95/11/56/923951156.db2.gz DSZYIRLCFRRYLI-GXFFZTMASA-N 2 0 253.346 -0.519 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COCC3)C1 ZINC001553345474 923951363 /nfs/dbraw/zinc/95/13/63/923951363.db2.gz WKEDGQNHTFWUPH-WZRBSPASSA-N 2 0 253.346 -0.438 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@]12C[NH2+]C[C@@H]1COCC2 ZINC001553351218 923952438 /nfs/dbraw/zinc/95/24/38/923952438.db2.gz KHDGUDRVPNCXCC-YRGRVCCFSA-N 2 0 267.373 -0.272 20 0 CBADRP CN1CC[C@]2(C(=O)N3CCC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553350046 923952768 /nfs/dbraw/zinc/95/27/68/923952768.db2.gz RNEQJJSWGYNUSA-JSGCOSHPSA-N 3 0 266.389 -0.650 20 0 CBADRP [NH3+]C[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCOC3)C1 ZINC001553351997 923953589 /nfs/dbraw/zinc/95/35/89/923953589.db2.gz BKJDJRIXDWWXIO-GMXVVIOVSA-N 2 0 253.346 -0.580 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[C@@H](C(=O)NCCN3CC[NH2+]CC3)C[C@H]12 ZINC001553351896 923953872 /nfs/dbraw/zinc/95/38/72/923953872.db2.gz PMWDKODGJAOREW-QNWHQSFQSA-N 2 0 266.389 -0.619 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCOC3)C1 ZINC001553349099 923953898 /nfs/dbraw/zinc/95/38/98/923953898.db2.gz AZGZPERIAWNWCX-SGMGOOAPSA-N 2 0 267.373 -0.190 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CN(C)CC3)C1 ZINC001553354402 923955607 /nfs/dbraw/zinc/95/56/07/923955607.db2.gz QVONYKFGETVGHS-YDHLFZDLSA-N 2 0 280.416 -0.404 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(C)CC3)CC[NH2+]1 ZINC001553353522 923956511 /nfs/dbraw/zinc/95/65/11/923956511.db2.gz GAPFUADVAKGKSG-BZPMIXESSA-N 2 0 266.389 -0.652 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@]12C[NH2+]C[C@H]1CCOC2 ZINC001553354484 923956647 /nfs/dbraw/zinc/95/66/47/923956647.db2.gz LNJQEXHYZQBJOE-NTZNESFSSA-N 2 0 253.346 -0.519 20 0 CBADRP [NH3+]C[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COCC3)C1 ZINC001553354582 923956868 /nfs/dbraw/zinc/95/68/68/923956868.db2.gz MPAVQKJUJMCPHE-LOWVWBTDSA-N 2 0 253.346 -0.580 20 0 CBADRP O=C(CNC(=O)[C@]12CC[NH2+][C@@H]1CCCC2)N1CC[NH2+]CC1 ZINC001553352120 923957851 /nfs/dbraw/zinc/95/78/51/923957851.db2.gz NTZLDWCIVRLRJY-IUODEOHRSA-N 2 0 294.399 -0.543 20 0 CBADRP C[N@@H+]1CC[C@@]2(C(=O)NCC(C)(C)[NH3+])C[NH2+]C[C@H]2C1 ZINC001553358607 923960149 /nfs/dbraw/zinc/96/01/49/923960149.db2.gz QLFYFCLODPFHAN-GXFFZTMASA-N 3 0 254.378 -0.619 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@]12C[NH2+]C[C@@H]1CCOC2 ZINC001553358459 923960358 /nfs/dbraw/zinc/96/03/58/923960358.db2.gz PABWPWUZWNYACP-DMDPSCGWSA-N 2 0 255.362 -0.288 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCOC3)CCO1 ZINC001553358370 923960816 /nfs/dbraw/zinc/96/08/16/923960816.db2.gz GYAKVZVJTTWEMM-ZJQBRPOHSA-N 2 0 283.372 -0.813 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CN(C)CC3)C[C@@H](C)[NH2+]1 ZINC001553358708 923962355 /nfs/dbraw/zinc/96/23/55/923962355.db2.gz PPVYSEVXDXVHBL-CXTNEJHOSA-N 2 0 280.416 -0.264 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(C)CC3)C[C@@H](C)[NH2+]1 ZINC001553358706 923962749 /nfs/dbraw/zinc/96/27/49/923962749.db2.gz PPVYSEVXDXVHBL-BHPKHCPMSA-N 2 0 280.416 -0.264 20 0 CBADRP CCCNC(=O)CNC(=O)[C@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553372476 923965563 /nfs/dbraw/zinc/96/55/63/923965563.db2.gz ADOCPAWRNQXGRK-BXUZGUMPSA-N 2 0 282.388 -0.830 20 0 CBADRP CC(C)NC(=O)CNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553371065 923966176 /nfs/dbraw/zinc/96/61/76/923966176.db2.gz BBVKNAWBWSIURY-RISCZKNCSA-N 2 0 282.388 -0.832 20 0 CBADRP Cn1cc(NC(=O)[C@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)ccc1=O ZINC001553395797 923967654 /nfs/dbraw/zinc/96/76/54/923967654.db2.gz WMYYASKKBZUYQT-XHDPSFHLSA-N 2 0 290.367 -0.135 20 0 CBADRP Cn1ccc(NC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)n1 ZINC001553377379 923967956 /nfs/dbraw/zinc/96/79/56/923967956.db2.gz GDMIMHDJLYWFOO-MFKMUULPSA-N 2 0 263.345 -0.100 20 0 CBADRP COCCN(C)C(=O)[C@]12C[NH2+]C[C@@H]1CN(C)CC2 ZINC001553384507 923968531 /nfs/dbraw/zinc/96/85/31/923968531.db2.gz LVWPWKSEXCUKNN-DGCLKSJQSA-N 2 0 255.362 -0.368 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553400782 923970868 /nfs/dbraw/zinc/97/08/68/923970868.db2.gz AVJOFLBUQSJKFM-USZNOCQGSA-N 2 0 253.346 -0.426 20 0 CBADRP CCN(CC(=O)N(C)C)C(=O)[C@@]12C[NH2+]C[C@H]1CN(C)CC2 ZINC001553396839 923972893 /nfs/dbraw/zinc/97/28/93/923972893.db2.gz LMJQQSUNKKQKQZ-WFASDCNBSA-N 2 0 296.415 -0.536 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC[C@H]1[NH3+] ZINC001553402646 923974193 /nfs/dbraw/zinc/97/41/93/923974193.db2.gz PVJCEHOIDWQEFD-GCHJQGSQSA-N 2 0 253.346 -0.299 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553403243 923974449 /nfs/dbraw/zinc/97/44/49/923974449.db2.gz WUDZKZQQMUGWBE-RHYQMDGZSA-N 2 0 253.346 -0.378 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1)C1CC1 ZINC001553403920 923975017 /nfs/dbraw/zinc/97/50/17/923975017.db2.gz BJXLUDQHPFXDEC-YVECIDJPSA-N 2 0 267.373 -0.038 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553404014 923975194 /nfs/dbraw/zinc/97/51/94/923975194.db2.gz AWBOOYAVFIRNGJ-KJPMQGKISA-N 2 0 253.346 -0.252 20 0 CBADRP Cn1cc(CCNC(=O)[C@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)cn1 ZINC001553403420 923975462 /nfs/dbraw/zinc/97/54/62/923975462.db2.gz YWABFGDGPGKTEP-DZGCQCFKSA-N 2 0 291.399 -0.380 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001553404339 923976394 /nfs/dbraw/zinc/97/63/94/923976394.db2.gz BIEKVVBMDZLHIH-MNXVOIDGSA-N 2 0 265.357 -0.282 20 0 CBADRP O=C(NCC[NH+]1CCCC1)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553405760 923977727 /nfs/dbraw/zinc/97/77/27/923977727.db2.gz GXPYTEVVFXUFEP-GRYCIOLGSA-N 2 0 253.346 -0.282 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553404209 923978034 /nfs/dbraw/zinc/97/80/34/923978034.db2.gz AWNKCLUYKGPHFI-CSYMLDBXSA-N 2 0 253.346 -0.108 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC[NH2+]1 ZINC001553404961 923978263 /nfs/dbraw/zinc/97/82/63/923978263.db2.gz CBNJIYHSTACIED-GCHJQGSQSA-N 2 0 253.346 -0.238 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001553404354 923978562 /nfs/dbraw/zinc/97/85/62/923978562.db2.gz BIEKVVBMDZLHIH-ZJQBRPOHSA-N 2 0 265.357 -0.282 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553407121 923979494 /nfs/dbraw/zinc/97/94/94/923979494.db2.gz GUHNONVEMYDCFU-WISYIIOYSA-N 2 0 253.346 -0.284 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553407124 923979707 /nfs/dbraw/zinc/97/97/07/923979707.db2.gz GUHNONVEMYDCFU-WYUUTHIRSA-N 2 0 253.346 -0.284 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001553406716 923981304 /nfs/dbraw/zinc/98/13/04/923981304.db2.gz GULPCVIFZNAAFZ-XUXIUFHCSA-N 2 0 294.399 -0.988 20 0 CBADRP C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553408985 923983948 /nfs/dbraw/zinc/98/39/48/923983948.db2.gz KKFXAKLGRLOQAQ-GRYCIOLGSA-N 2 0 253.346 -0.330 20 0 CBADRP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553409752 923985042 /nfs/dbraw/zinc/98/50/42/923985042.db2.gz KECXLZXMMWPYBN-RWMBFGLXSA-N 2 0 267.373 -0.036 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553412122 923987062 /nfs/dbraw/zinc/98/70/62/923987062.db2.gz TWIQDPHNWOKRON-MELADBBJSA-N 2 0 296.415 -0.741 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553410696 923987647 /nfs/dbraw/zinc/98/76/47/923987647.db2.gz QRDAKJOWCQMRBL-WYUUTHIRSA-N 2 0 253.346 -0.426 20 0 CBADRP [NH3+]C1(CNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CCCC1 ZINC001553425704 923992568 /nfs/dbraw/zinc/99/25/68/923992568.db2.gz SSOSQNZOLFYASC-VWYCJHECSA-N 2 0 253.346 -0.107 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001553420251 923992832 /nfs/dbraw/zinc/99/28/32/923992832.db2.gz IEGQSPULNPSVCE-VOAKCMCISA-N 2 0 283.372 -0.921 20 0 CBADRP [NH3+]C1(CNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CCCC1 ZINC001553425702 923993907 /nfs/dbraw/zinc/99/39/07/923993907.db2.gz SSOSQNZOLFYASC-GARJFASQSA-N 2 0 253.346 -0.107 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553429949 923996216 /nfs/dbraw/zinc/99/62/16/923996216.db2.gz LLXINFLUQCOTPR-AGIUHOORSA-N 2 0 282.388 -0.955 20 0 CBADRP C[N@@H+]1[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 923996315 /nfs/dbraw/zinc/99/63/15/923996315.db2.gz RARBCKGWHWBMRG-WFQJECDVSA-N 2 0 295.383 -0.971 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001553432515 923997959 /nfs/dbraw/zinc/99/79/59/923997959.db2.gz RCSFKOBWWRQPPJ-NWBUJAPZSA-N 2 0 265.357 -0.284 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC001553432518 923999052 /nfs/dbraw/zinc/99/90/52/923999052.db2.gz RCSFKOBWWRQPPJ-SJHCENCUSA-N 2 0 265.357 -0.284 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553437628 923999131 /nfs/dbraw/zinc/99/91/31/923999131.db2.gz YXAJHMNFBHMMGM-RCWTZXSCSA-N 2 0 253.346 -0.380 20 0 CBADRP CC1(C)CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C[C@H]1[NH3+] ZINC001553437067 923999137 /nfs/dbraw/zinc/99/91/37/923999137.db2.gz YFQCSCWMCHXOQQ-VPOLOUISSA-N 2 0 253.346 -0.299 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553432727 923999496 /nfs/dbraw/zinc/99/94/96/923999496.db2.gz SFNFYQHVASCJSA-KZZRWZIVSA-N 2 0 253.346 -0.251 20 0 CBADRP CC1(C)CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C[C@H]1[NH3+] ZINC001553437070 923999796 /nfs/dbraw/zinc/99/97/96/923999796.db2.gz YFQCSCWMCHXOQQ-XWLWVQCSSA-N 2 0 253.346 -0.299 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)N2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)C1 ZINC001553440568 924002288 /nfs/dbraw/zinc/00/22/88/924002288.db2.gz WCELYFATYRVVLJ-KKOKHZNYSA-N 2 0 252.362 -0.073 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N[C@@]12CCC[C@H]1C[NH2+]C2 ZINC001553488213 924007011 /nfs/dbraw/zinc/00/70/11/924007011.db2.gz BLLOGBVNUFMVKT-GXTWGEPZSA-N 2 0 281.404 -0.667 20 0 CBADRP C[C@H](CNC(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1)[NH+](C)C ZINC001553492582 924009758 /nfs/dbraw/zinc/00/97/58/924009758.db2.gz QQNFGBGXYRSYCA-GRYCIOLGSA-N 2 0 294.403 -0.194 20 0 CBADRP [NH3+]CCCNC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553493428 924010219 /nfs/dbraw/zinc/01/02/19/924010219.db2.gz BLOYTQYPLZWLDK-JTQLQIEISA-N 2 0 256.350 -0.516 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N1CC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC001553489352 924010677 /nfs/dbraw/zinc/01/06/77/924010677.db2.gz DPSIGHBOYJPCBP-KGLIPLIRSA-N 2 0 295.431 -0.325 20 0 CBADRP [NH3+][C@@H](CNC(=O)N[C@H]1C[NH2+]CC12CCOCC2)C1CC1 ZINC001553499061 924012009 /nfs/dbraw/zinc/01/20/09/924012009.db2.gz XNURAGKUACUGJI-RYUDHWBXSA-N 2 0 282.388 -0.209 20 0 CBADRP O=C(NC[C@H]1CC[NH2+]C1)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553498225 924012838 /nfs/dbraw/zinc/01/28/38/924012838.db2.gz RYVFAQLHUGEAED-RYUDHWBXSA-N 2 0 282.388 -0.336 20 0 CBADRP [NH3+][C@@H](CNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2)C1CC1 ZINC001553499059 924013093 /nfs/dbraw/zinc/01/30/93/924013093.db2.gz XNURAGKUACUGJI-NWDGAFQWSA-N 2 0 282.388 -0.209 20 0 CBADRP O=C(NC[C@H]1CC[NH2+]C1)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553498223 924013540 /nfs/dbraw/zinc/01/35/40/924013540.db2.gz RYVFAQLHUGEAED-NWDGAFQWSA-N 2 0 282.388 -0.336 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+]C2)CC12CCOCC2 ZINC001553497779 924014163 /nfs/dbraw/zinc/01/41/63/924014163.db2.gz QSIMCKXDDIXPRP-VXGBXAGGSA-N 2 0 282.388 -0.112 20 0 CBADRP C[C@H]([NH3+])CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001553503196 924015872 /nfs/dbraw/zinc/01/58/72/924015872.db2.gz MEQCGLGPLAZYJI-FPMFFAJLSA-N 3 0 295.431 -0.056 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553505889 924016828 /nfs/dbraw/zinc/01/68/28/924016828.db2.gz VDZFBFAFGACYNA-NXEZZACHSA-N 2 0 256.350 -0.599 20 0 CBADRP [NH3+]C[C@@H]1[C@H]2CN(C(=O)N[C@H]3C[NH2+]CCC3(F)F)C[C@H]21 ZINC001553501493 924017273 /nfs/dbraw/zinc/01/72/73/924017273.db2.gz GSJVAMQVDURTSX-QEYWKRMJSA-N 2 0 274.315 -0.170 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553505277 924017781 /nfs/dbraw/zinc/01/77/81/924017781.db2.gz LSSZOFBQDNUNJW-MNOVXSKESA-N 2 0 268.361 -0.584 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC001553506310 924017909 /nfs/dbraw/zinc/01/79/09/924017909.db2.gz UVKDATSMVYKMGP-MDZLAQPJSA-N 2 0 268.361 -0.584 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553509092 924018697 /nfs/dbraw/zinc/01/86/97/924018697.db2.gz RYEKAVQNQWLGLQ-NWDGAFQWSA-N 2 0 282.388 -0.194 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)N2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)C[NH2+]1 ZINC001553513840 924019777 /nfs/dbraw/zinc/01/97/77/924019777.db2.gz IXOGIGOJLQDPAB-ROHXPCBUSA-N 2 0 252.362 -0.027 20 0 CBADRP [NH3+][C@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CC12CCOCC2 ZINC001553511011 924021033 /nfs/dbraw/zinc/02/10/33/924021033.db2.gz VGEPFKNGMZBPNM-MNOVXSKESA-N 2 0 268.361 -0.502 20 0 CBADRP C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC12CCOCC2)[C@H](C)[NH3+] ZINC001553507448 924021197 /nfs/dbraw/zinc/02/11/97/924021197.db2.gz YDRFLXCGJXHAAP-HBNTYKKESA-N 2 0 270.377 -0.210 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)NCC3(C[NH3+])CC3)C2)CC1 ZINC001553525496 924022029 /nfs/dbraw/zinc/02/20/29/924022029.db2.gz DRTIYCBGLUDRGT-CYBMUJFWSA-N 2 0 295.431 -0.243 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC001553523580 924022059 /nfs/dbraw/zinc/02/20/59/924022059.db2.gz FUHDTWUWKGQPFE-YLXHPXFOSA-N 2 0 252.362 -0.025 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553519444 924023019 /nfs/dbraw/zinc/02/30/19/924023019.db2.gz QWLJHIGPTLIDAP-SDDRHHMPSA-N 2 0 282.388 -0.195 20 0 CBADRP N[C@@H]1CN(C(=O)N2CC[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@@H]1[NH3+] ZINC001553532153 924024878 /nfs/dbraw/zinc/02/48/78/924024878.db2.gz UQHCAUYDIOBIPE-WHOHXGKFSA-N 2 0 267.377 -0.992 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001553528229 924026667 /nfs/dbraw/zinc/02/66/67/924026667.db2.gz NDOWCTLOIFVIKS-KBPBESRZSA-N 2 0 295.431 -0.055 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001553535203 924027080 /nfs/dbraw/zinc/02/70/80/924027080.db2.gz YWBVZMNWDRJCND-MCIONIFRSA-N 2 0 295.431 -0.374 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)N[C@H]2C[NH2+]C[C@H]2F)CC12CCC2 ZINC001553545401 924027615 /nfs/dbraw/zinc/02/76/15/924027615.db2.gz SHNJNKMKLIMODP-KXUCPTDWSA-N 2 0 256.325 -0.181 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001553545247 924027504 /nfs/dbraw/zinc/02/75/04/924027504.db2.gz RTCLGUYGQCHISF-ZDCRXTMVSA-N 2 0 256.325 -0.168 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3C[NH2+]C[C@@H]3F)C2)CC1 ZINC001553543860 924028014 /nfs/dbraw/zinc/02/80/14/924028014.db2.gz OUHHFCHSVMBULD-FRRDWIJNSA-N 2 0 299.394 -0.672 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)N[C@H]2C[NH2+]C[C@@H]2F)CC12CCC2 ZINC001553545405 924028203 /nfs/dbraw/zinc/02/82/03/924028203.db2.gz SHNJNKMKLIMODP-LPEHRKFASA-N 2 0 256.325 -0.181 20 0 CBADRP [NH3+]C1CC(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC001553559086 924033276 /nfs/dbraw/zinc/03/32/76/924033276.db2.gz UZXUOKBMCMZDSG-TYUFSLCMSA-N 2 0 282.388 -0.283 20 0 CBADRP C[N@@H+]1C[C@@H](O)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001553648530 924035881 /nfs/dbraw/zinc/03/58/81/924035881.db2.gz LPWRMUNSDNHXBB-NWDGAFQWSA-N 2 0 267.373 -0.347 20 0 CBADRP C[N@@H+]1C[C@H](O)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001553648531 924036665 /nfs/dbraw/zinc/03/66/65/924036665.db2.gz LPWRMUNSDNHXBB-RYUDHWBXSA-N 2 0 267.373 -0.347 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000573321296 334927658 /nfs/dbraw/zinc/92/76/58/334927658.db2.gz HFFLWIFYYXRNBY-NWDGAFQWSA-N 2 0 254.378 -0.524 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@H](C[NH3+])C2)CC1=O ZINC000428532391 282101260 /nfs/dbraw/zinc/10/12/60/282101260.db2.gz LWDYNDYCKYMMHJ-OLZOCXBDSA-N 2 0 296.415 -0.406 20 0 CBADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCO)CC1 ZINC000303397284 230221302 /nfs/dbraw/zinc/22/13/02/230221302.db2.gz INOXTNWNUDRMQE-UHFFFAOYSA-N 2 0 257.378 -0.241 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)O1 ZINC000375707520 230247932 /nfs/dbraw/zinc/24/79/32/230247932.db2.gz NHOYLDJZEFOEJN-KKOKHZNYSA-N 2 0 253.346 -0.297 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@@H](C)O1 ZINC000377307342 230283051 /nfs/dbraw/zinc/28/30/51/230283051.db2.gz SRVPZLWWEVTWGY-FDYHWXHSSA-N 2 0 285.388 -0.675 20 0 CBADRP C[NH2+]CC(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373039716 290638462 /nfs/dbraw/zinc/63/84/62/290638462.db2.gz LQMQOGKLVVSANJ-GFCCVEGCSA-N 2 0 268.405 -0.167 20 0 CBADRP C[NH2+][C@H](C(=O)N1CCC[NH2+]CC1)c1cnn(C)c1 ZINC000573367599 334931936 /nfs/dbraw/zinc/93/19/36/334931936.db2.gz GTZMYRQDGIAICN-NSHDSACASA-N 2 0 251.334 -0.498 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1CC12CC[NH2+]CC2 ZINC000573368871 334931987 /nfs/dbraw/zinc/93/19/87/334931987.db2.gz ZMLXSQQDFADTMG-NWDGAFQWSA-N 2 0 267.373 -0.129 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000423236594 282182677 /nfs/dbraw/zinc/18/26/77/282182677.db2.gz OLHDZXKGQLSQJT-GFCCVEGCSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000419895601 282183307 /nfs/dbraw/zinc/18/33/07/282183307.db2.gz MPHBQKXFKPPXJH-FRRDWIJNSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000331510897 282196267 /nfs/dbraw/zinc/19/62/67/282196267.db2.gz PNLXSZCRSWBTAU-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000126321599 187232417 /nfs/dbraw/zinc/23/24/17/187232417.db2.gz IAPIHFRWMUVHIV-OCCSQVGLSA-N 2 0 298.431 -0.066 20 0 CBADRP C[NH+](C)[C@@]1(CNC(=O)C[C@@H]2COCC[NH2+]2)CCSC1 ZINC000262022628 282229520 /nfs/dbraw/zinc/22/95/20/282229520.db2.gz ANMJOSUUIVJUCV-DGCLKSJQSA-N 2 0 287.429 -0.082 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000126467975 187242153 /nfs/dbraw/zinc/24/21/53/187242153.db2.gz YEUSJNZYOABPKX-GVXVVHGQSA-N 2 0 284.404 -0.315 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000573443102 334938201 /nfs/dbraw/zinc/93/82/01/334938201.db2.gz ZMNUQAIKWNFUBY-LBPRGKRZSA-N 2 0 255.362 -0.049 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000573465789 334940085 /nfs/dbraw/zinc/94/00/85/334940085.db2.gz JFKIFMPDNPHGPV-CYBMUJFWSA-N 2 0 297.447 -0.079 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000332314492 282256994 /nfs/dbraw/zinc/25/69/94/282256994.db2.gz NJPJGENRJJGSKN-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCC[NH+]1CCCCC1 ZINC000351518586 219113060 /nfs/dbraw/zinc/11/30/60/219113060.db2.gz CQOODFGBHQTDDV-CYBMUJFWSA-N 2 0 296.415 -0.153 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351517517 219111869 /nfs/dbraw/zinc/11/18/69/219111869.db2.gz ANKZBBJJYHTVMN-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](CC2CC2)CC1 ZINC000351518246 219112088 /nfs/dbraw/zinc/11/20/88/219112088.db2.gz CAMOPYRLRVVLIB-CYBMUJFWSA-N 2 0 294.399 -0.591 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351520447 219113261 /nfs/dbraw/zinc/11/32/61/219113261.db2.gz RTEOBWIKQBEARL-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000351530228 219115685 /nfs/dbraw/zinc/11/56/85/219115685.db2.gz ADDWCXGSCBHURI-AGIUHOORSA-N 2 0 294.399 -0.402 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351523157 219115084 /nfs/dbraw/zinc/11/50/84/219115084.db2.gz NKOPNZAOZBTBQB-YNEHKIRRSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351535226 219118267 /nfs/dbraw/zinc/11/82/67/219118267.db2.gz DPBKMQWNIJGLFZ-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000351545322 219119942 /nfs/dbraw/zinc/11/99/42/219119942.db2.gz WSHBHHHGCKVNER-OLZOCXBDSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351541006 219120326 /nfs/dbraw/zinc/12/03/26/219120326.db2.gz PAJYJBXDJROKBG-CHWSQXEVSA-N 2 0 296.415 -0.297 20 0 CBADRP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000351545326 219121352 /nfs/dbraw/zinc/12/13/52/219121352.db2.gz WSHBHHHGCKVNER-STQMWFEESA-N 2 0 294.399 -0.450 20 0 CBADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000573556499 334946655 /nfs/dbraw/zinc/94/66/55/334946655.db2.gz PDMRGAWQEJQPFG-GHMZBOCLSA-N 2 0 255.362 -0.131 20 0 CBADRP C[N@H+](CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000351556124 219125331 /nfs/dbraw/zinc/12/53/31/219125331.db2.gz NLHFCDPTHQZWSQ-LLVKDONJSA-N 2 0 268.361 -0.935 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351559097 219125658 /nfs/dbraw/zinc/12/56/58/219125658.db2.gz UAJYXUZWILRFDX-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351560320 219126823 /nfs/dbraw/zinc/12/68/23/219126823.db2.gz RKERPFSGBFQHNF-NEPJUHHUSA-N 2 0 282.388 -0.687 20 0 CBADRP CC(C)C[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000351586921 219136186 /nfs/dbraw/zinc/13/61/86/219136186.db2.gz ZUHMKRUIIHSPQE-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000573723968 334961188 /nfs/dbraw/zinc/96/11/88/334961188.db2.gz JCRHQOGNYLBGNH-UTUOFQBUSA-N 2 0 284.404 -0.327 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000351763255 219199385 /nfs/dbraw/zinc/19/93/85/219199385.db2.gz OGFMFEUUTRSVOB-CHWSQXEVSA-N 2 0 268.405 -0.180 20 0 CBADRP C[C@@H]1C[NH+](CCOCC[N@@H+]2C[C@H](O)[C@@H](C)C2)C[C@@H]1O ZINC000351774906 219202584 /nfs/dbraw/zinc/20/25/84/219202584.db2.gz PHAYFZWVNWIYNU-CRWXNKLISA-N 2 0 272.389 -0.372 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NCCC[NH+]1CCCC1 ZINC000128882378 187395941 /nfs/dbraw/zinc/39/59/41/187395941.db2.gz AHXLMROQLHPNEG-LBPRGKRZSA-N 2 0 255.362 -0.033 20 0 CBADRP [NH3+]CCOc1ccc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000573805185 334967789 /nfs/dbraw/zinc/96/77/89/334967789.db2.gz ZMDAIDGPQHWFDX-CMPLNLGQSA-N 2 0 265.313 -0.315 20 0 CBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000352003311 219283532 /nfs/dbraw/zinc/28/35/32/219283532.db2.gz LCFQWBFGBLVEKW-DGCLKSJQSA-N 2 0 286.420 -0.082 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000351996820 219282945 /nfs/dbraw/zinc/28/29/45/219282945.db2.gz VRDMTKQJBPDWNT-ZYHUDNBSSA-N 2 0 272.393 -0.425 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000339588733 215261935 /nfs/dbraw/zinc/26/19/35/215261935.db2.gz ZYFCOUATPUPCKQ-UHFFFAOYSA-N 2 0 298.431 -0.001 20 0 CBADRP C[NH+]1CCC(CNC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000091311229 180132996 /nfs/dbraw/zinc/13/29/96/180132996.db2.gz YWIFSUDNMMVYQL-LBPRGKRZSA-N 2 0 255.362 -0.177 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668159 180223898 /nfs/dbraw/zinc/22/38/98/180223898.db2.gz BNXRJKWPXBCNNV-WOPDTQHZSA-N 2 0 255.362 -0.051 20 0 CBADRP O=C(NCCC[NH2+]Cc1cccnc1)[C@H]1C[NH2+]CCO1 ZINC000120890907 282693992 /nfs/dbraw/zinc/69/39/92/282693992.db2.gz OJWAXNHTZXCUBS-CYBMUJFWSA-N 2 0 278.356 -0.334 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000106921849 186151653 /nfs/dbraw/zinc/15/16/53/186151653.db2.gz OJRQXBYDKUMGPX-CHWSQXEVSA-N 2 0 268.405 -0.167 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000092495935 180397292 /nfs/dbraw/zinc/39/72/92/180397292.db2.gz NMTJFVKOFBRDHT-UHFFFAOYSA-N 2 0 255.362 -0.223 20 0 CBADRP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1CCCOC1 ZINC000111163380 186363611 /nfs/dbraw/zinc/36/36/11/186363611.db2.gz QEUMZXPVQSQPBN-LBPRGKRZSA-N 2 0 255.362 -0.223 20 0 CBADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000037001342 351395480 /nfs/dbraw/zinc/39/54/80/351395480.db2.gz VHMRMAVFDGKQLB-GRYCIOLGSA-N 2 0 257.378 -0.198 20 0 CBADRP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(=O)n(C)c1=O ZINC000044534187 351444928 /nfs/dbraw/zinc/44/49/28/351444928.db2.gz BZWOGDAZKCBWBW-LLVKDONJSA-N 2 0 280.372 -0.485 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000037824331 351409239 /nfs/dbraw/zinc/40/92/39/351409239.db2.gz JGAWBJQRRBUFQJ-AWEZNQCLSA-N 2 0 280.416 -0.022 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000040808755 351419457 /nfs/dbraw/zinc/41/94/57/351419457.db2.gz NOASZYJDEWDFEF-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973138 351577698 /nfs/dbraw/zinc/57/76/98/351577698.db2.gz UCCNVFLBIYTURG-SDDRHHMPSA-N 2 0 253.346 -0.594 20 0 CBADRP O=C(C(=O)N1CC[NH2+]CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062983194 351577814 /nfs/dbraw/zinc/57/78/14/351577814.db2.gz HYZDKXNZNBYTMS-GFCCVEGCSA-N 2 0 280.372 -0.885 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973524 351577876 /nfs/dbraw/zinc/57/78/76/351577876.db2.gz RJNOZMZTTZIRGT-NSHDSACASA-N 2 0 268.361 -0.852 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000062983193 351578383 /nfs/dbraw/zinc/57/83/83/351578383.db2.gz WJYSUBMHXFAHDE-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP CC(C)CNC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179665 351580018 /nfs/dbraw/zinc/58/00/18/351580018.db2.gz UPRDUHZOOYTMTH-LBPRGKRZSA-N 2 0 284.404 -0.455 20 0 CBADRP CN(C)C(=O)CC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180213 351580429 /nfs/dbraw/zinc/58/04/29/351580429.db2.gz QXBFQPRYGIUJII-NSHDSACASA-N 2 0 270.377 -0.748 20 0 CBADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000070074106 351634485 /nfs/dbraw/zinc/63/44/85/351634485.db2.gz OVHUPCBPSRTZPZ-LBPRGKRZSA-N 2 0 255.362 -0.094 20 0 CBADRP Cn1c(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc(=O)n(C)c1=O ZINC000070170907 351635593 /nfs/dbraw/zinc/63/55/93/351635593.db2.gz ZYLHBGZWVGGJPJ-NSHDSACASA-N 2 0 280.372 -0.355 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)CCN1CCOCC1 ZINC000071150688 351643213 /nfs/dbraw/zinc/64/32/13/351643213.db2.gz UEGBTUIEQSOFSZ-UHFFFAOYSA-N 2 0 256.394 -0.844 20 0 CBADRP CC(C)[NH2+]CCC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000068807361 351621996 /nfs/dbraw/zinc/62/19/96/351621996.db2.gz UCLAXWHBWFZVHS-LBPRGKRZSA-N 2 0 256.394 -0.264 20 0 CBADRP CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000068807730 351622375 /nfs/dbraw/zinc/62/23/75/351622375.db2.gz ZISLPHYSBAHTAN-RYUDHWBXSA-N 2 0 256.394 -0.134 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C[NH2+]CC1CC1 ZINC000068807422 351622462 /nfs/dbraw/zinc/62/24/62/351622462.db2.gz FRAHEVFOKZCCHY-GFCCVEGCSA-N 2 0 254.378 -0.652 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079521721 351693038 /nfs/dbraw/zinc/69/30/38/351693038.db2.gz KFEUDJNPYXFNCO-AAEUAGOBSA-N 2 0 254.378 -0.510 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000126277158 351859390 /nfs/dbraw/zinc/85/93/90/351859390.db2.gz FSZDZYYMQVFBCX-YPMHNXCESA-N 2 0 284.404 -0.456 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000126231615 351859566 /nfs/dbraw/zinc/85/95/66/351859566.db2.gz JGMPQSXFLLZTFA-JSGCOSHPSA-N 2 0 298.431 -0.068 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000120620088 351842091 /nfs/dbraw/zinc/84/20/91/351842091.db2.gz WBNZSXHEPNUPCQ-DGCLKSJQSA-N 2 0 289.445 -0.148 20 0 CBADRP C[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000121338136 351847732 /nfs/dbraw/zinc/84/77/32/351847732.db2.gz IXXUGDSYGFAKOC-LLVKDONJSA-N 2 0 270.377 -0.878 20 0 CBADRP CC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000130454877 351879167 /nfs/dbraw/zinc/87/91/67/351879167.db2.gz IACHLJUKXVNHCI-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000130385315 351879274 /nfs/dbraw/zinc/87/92/74/351879274.db2.gz VEPKKMYMGIBIIV-CYBMUJFWSA-N 2 0 285.388 -0.454 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1=O ZINC000128532409 351866447 /nfs/dbraw/zinc/86/64/47/351866447.db2.gz IXEUNOCBILPOIM-YNEHKIRRSA-N 2 0 296.415 -0.217 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000129160419 351868988 /nfs/dbraw/zinc/86/89/88/351868988.db2.gz FVIICLXABILVBN-WDEREUQCSA-N 2 0 253.346 -0.282 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000129327231 351869515 /nfs/dbraw/zinc/86/95/15/351869515.db2.gz NTHSECGZWUICAZ-NWDGAFQWSA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@H]1C[C@H](N(C)CC(=O)N2CCNC(=O)C2)CC[N@@H+]1C ZINC000123837353 187111215 /nfs/dbraw/zinc/11/12/15/187111215.db2.gz XIOAMPSUSGEERT-NWDGAFQWSA-N 2 0 282.388 -0.641 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000136209701 351919749 /nfs/dbraw/zinc/91/97/49/351919749.db2.gz PAXKJNFLRHBIQQ-CQSZACIVSA-N 2 0 268.405 -0.118 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000137536071 351922462 /nfs/dbraw/zinc/92/24/62/351922462.db2.gz MDCLZZQPYYPDQR-GFCCVEGCSA-N 2 0 254.378 -0.523 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000131665465 351887370 /nfs/dbraw/zinc/88/73/70/351887370.db2.gz QAKJSTFDQMJUGH-AWEZNQCLSA-N 2 0 276.384 -0.422 20 0 CBADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000131762503 351888794 /nfs/dbraw/zinc/88/87/94/351888794.db2.gz PRZOKYDPGAKIFI-ZJUUUORDSA-N 2 0 268.361 -0.014 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000132060593 351890687 /nfs/dbraw/zinc/89/06/87/351890687.db2.gz BZVSVOGRNTYCCG-NEPJUHHUSA-N 2 0 282.388 -0.558 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000133655470 351900735 /nfs/dbraw/zinc/90/07/35/351900735.db2.gz JJBRTDRSZWWBGG-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)CCNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000133718534 351900774 /nfs/dbraw/zinc/90/07/74/351900774.db2.gz LKFPIBSLRYHTCW-GFCCVEGCSA-N 2 0 299.419 -0.565 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000133655664 351901120 /nfs/dbraw/zinc/90/11/20/351901120.db2.gz JJBRTDRSZWWBGG-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP [NH3+]CC1(C(=O)NCCCN2CC[NH2+]CC2)CCCC1 ZINC000158775258 351960329 /nfs/dbraw/zinc/96/03/29/351960329.db2.gz ZMXOQXTUFGKIIS-UHFFFAOYSA-N 2 0 268.405 -0.083 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000167396060 351989600 /nfs/dbraw/zinc/98/96/00/351989600.db2.gz HXGMIKNPCUGNBN-NWDGAFQWSA-N 2 0 255.362 -0.096 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000167264613 351989855 /nfs/dbraw/zinc/98/98/55/351989855.db2.gz YJUMNHLTQHBMIN-RYUDHWBXSA-N 2 0 271.361 -0.798 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000178881751 352084642 /nfs/dbraw/zinc/08/46/42/352084642.db2.gz DZISNPACJAXFMX-STQMWFEESA-N 2 0 268.405 -0.119 20 0 CBADRP O=C1C[C@H]([NH2+][C@H]2CCOC2)CN1CCN1CCOCC1 ZINC000178907261 352085730 /nfs/dbraw/zinc/08/57/30/352085730.db2.gz JZRZQFKOIPHHTI-STQMWFEESA-N 2 0 283.372 -0.702 20 0 CBADRP O=C1C[C@@H]([NH2+]CC2CC2)CN1CCN1CCOCC1 ZINC000178907071 352085978 /nfs/dbraw/zinc/08/59/78/352085978.db2.gz KCUMECHBEKKZIR-CYBMUJFWSA-N 2 0 267.373 -0.081 20 0 CBADRP CCOC[C@H](O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182968834 352106486 /nfs/dbraw/zinc/10/64/86/352106486.db2.gz DSICHNOZXUOPEZ-CQSZACIVSA-N 2 0 273.421 -0.047 20 0 CBADRP Nc1cc[nH+]cc1C(=O)NCCCN1CC[NH2+]CC1 ZINC000187167353 352136351 /nfs/dbraw/zinc/13/63/51/352136351.db2.gz QCUROTRDEHCLIG-UHFFFAOYSA-N 2 0 263.345 -0.311 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188754864 352158229 /nfs/dbraw/zinc/15/82/29/352158229.db2.gz HPPXSKQWICTMGB-SDDRHHMPSA-N 2 0 273.352 -0.087 20 0 CBADRP CCC[NH2+]CCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188800792 352159395 /nfs/dbraw/zinc/15/93/95/352159395.db2.gz CXVKQIGEMJXJBP-UHFFFAOYSA-N 2 0 251.334 -0.215 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000192109256 352196459 /nfs/dbraw/zinc/19/64/59/352196459.db2.gz PMMGSIIXIBVVDX-STQMWFEESA-N 2 0 298.431 -0.018 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](C)[N@H+](C)C2CC2)C1 ZINC000187945747 352143822 /nfs/dbraw/zinc/14/38/22/352143822.db2.gz CRPUFNTYYUQARS-ZMLRMANQSA-N 2 0 255.362 -0.038 20 0 CBADRP CCCN(C(=O)[C@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000188023205 352146521 /nfs/dbraw/zinc/14/65/21/352146521.db2.gz JZNIGFUZFYZGLH-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188074479 352147338 /nfs/dbraw/zinc/14/73/38/352147338.db2.gz WGMVCOMLDUOPCI-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000188123007 352147899 /nfs/dbraw/zinc/14/78/99/352147899.db2.gz GAVLDRLYGRTZGA-CQSZACIVSA-N 2 0 298.431 -0.635 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188254108 352149539 /nfs/dbraw/zinc/14/95/39/352149539.db2.gz GMFRFWOQCDQJNB-NWDGAFQWSA-N 2 0 273.377 -0.552 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)C[C@H]1N1CCOCC1 ZINC000188269593 352149617 /nfs/dbraw/zinc/14/96/17/352149617.db2.gz CCUBOSBKJIFLRB-JHJVBQTASA-N 2 0 283.372 -0.846 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NCC[NH+]1CCSCC1 ZINC000219241288 352237056 /nfs/dbraw/zinc/23/70/56/352237056.db2.gz AJRINELVJABLML-SNVBAGLBSA-N 2 0 261.391 -0.485 20 0 CBADRP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221174317 352239804 /nfs/dbraw/zinc/23/98/04/352239804.db2.gz FFUNUVBLCCJMAZ-GHMZBOCLSA-N 2 0 270.377 -0.750 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221173822 352239819 /nfs/dbraw/zinc/23/98/19/352239819.db2.gz WSLJATVSUUFUII-ZJUUUORDSA-N 2 0 256.350 -0.963 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000193700294 352208389 /nfs/dbraw/zinc/20/83/89/352208389.db2.gz SRGDLJUCVZDVFY-QWHCGFSZSA-N 2 0 296.415 -0.025 20 0 CBADRP Cn1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000211828312 352229540 /nfs/dbraw/zinc/22/95/40/352229540.db2.gz HDQZRDPGYDUNQB-NSHDSACASA-N 2 0 265.361 -0.293 20 0 CBADRP COCC[NH2+]CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227456605 352258069 /nfs/dbraw/zinc/25/80/69/352258069.db2.gz DLAXGOVMSLLVSR-RYUDHWBXSA-N 2 0 255.362 -0.083 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CC[NH2+]CC1 ZINC000228894851 352266351 /nfs/dbraw/zinc/26/63/51/352266351.db2.gz XHFRNNFPYGUWPD-JTNHKYCSSA-N 2 0 267.373 -0.049 20 0 CBADRP CCN(CCC[NH+](CC)CC)C(=O)CNC(=O)C[NH3+] ZINC000230712753 352274206 /nfs/dbraw/zinc/27/42/06/352274206.db2.gz YSVCCTIIZVRPRR-UHFFFAOYSA-N 2 0 272.393 -0.358 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000232116435 352279504 /nfs/dbraw/zinc/27/95/04/352279504.db2.gz HCPJTIKGVQNVAC-GFCCVEGCSA-N 2 0 255.362 -0.096 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000236777113 352293093 /nfs/dbraw/zinc/29/30/93/352293093.db2.gz SDKNQLMWLXEZGQ-RYUDHWBXSA-N 2 0 256.394 -0.278 20 0 CBADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000236803983 352294453 /nfs/dbraw/zinc/29/44/53/352294453.db2.gz CIGQUYSYIPEJTK-AWEZNQCLSA-N 2 0 299.415 -0.020 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCC[NH3+])CC1=O ZINC000236838257 352294888 /nfs/dbraw/zinc/29/48/88/352294888.db2.gz ZXHMQOBIGCVZNP-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[NH3+])CC1=O ZINC000236838282 352295042 /nfs/dbraw/zinc/29/50/42/352295042.db2.gz PYUHRPCJSCFOCJ-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@H]([C@H](C)NC(=O)[C@H]1CN(C)CCO1)N1CCOCC1 ZINC000245419255 352319585 /nfs/dbraw/zinc/31/95/85/352319585.db2.gz BJJLVOXDLLEHNQ-YNEHKIRRSA-N 2 0 285.388 -0.458 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000236838414 352295457 /nfs/dbraw/zinc/29/54/57/352295457.db2.gz LPMKUIVQAVVJSQ-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP CCC[NH2+]CCNC(=O)CN1CC[NH+](CC)CC1 ZINC000236918775 352295957 /nfs/dbraw/zinc/29/59/57/352295957.db2.gz FLJDRPLXADDUHJ-UHFFFAOYSA-N 2 0 256.394 -0.260 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000237044438 352297759 /nfs/dbraw/zinc/29/77/59/352297759.db2.gz MIMZSVIJKWFSNB-VXGBXAGGSA-N 2 0 255.362 -0.096 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000237156544 352300223 /nfs/dbraw/zinc/30/02/23/352300223.db2.gz XCODTHXXTKFKOZ-ZDUSSCGKSA-N 2 0 299.415 -0.066 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H](C[NH3+])C2CC2)CC1=O ZINC000237160925 352300715 /nfs/dbraw/zinc/30/07/15/352300715.db2.gz SFQIHRZFYCHIAR-RYUDHWBXSA-N 2 0 282.388 -0.750 20 0 CBADRP C[C@@]1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC[NH2+]C1 ZINC000237484150 352306169 /nfs/dbraw/zinc/30/61/69/352306169.db2.gz FOPFMVXAZGUVLQ-SMDDNHRTSA-N 2 0 282.388 -0.701 20 0 CBADRP C[C@@](C[NH3+])(NC(=O)C[NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000237625814 352308618 /nfs/dbraw/zinc/30/86/18/352308618.db2.gz CQQADWJEPQVYRM-AAEUAGOBSA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(NCCc1cn2ccccc2n1)[C@H]1COCCN1 ZINC000237900557 352311027 /nfs/dbraw/zinc/31/10/27/352311027.db2.gz MYPXJKFTGKHMLX-GFCCVEGCSA-N 2 0 274.324 -0.019 20 0 CBADRP O=C([C@@H]1CC[NH2+]C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000237949866 352312079 /nfs/dbraw/zinc/31/20/79/352312079.db2.gz ZMWGXQMAUHUMSV-CHWSQXEVSA-N 2 0 267.373 -0.223 20 0 CBADRP CCN1CCN(C(=O)[C@@H](C)N2CCO[C@@H](COC)C2)CC1 ZINC000246495113 352333508 /nfs/dbraw/zinc/33/35/08/352333508.db2.gz ATWXQTVQVMDFBN-ZIAGYGMSSA-N 2 0 299.415 -0.114 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H]2COCCN2)CC[N@@H+]1C[C@H](C)O ZINC000246483548 352334217 /nfs/dbraw/zinc/33/42/17/352334217.db2.gz OUFVFNCKQUODFS-XQQFMLRXSA-N 2 0 285.388 -0.722 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000250232081 352372514 /nfs/dbraw/zinc/37/25/14/352372514.db2.gz GHEHAIPKOLINIA-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[C@H]1C[N@H+](CCC(=O)NC(=O)NC)CC[C@H]1[NH3+] ZINC000251881986 352376196 /nfs/dbraw/zinc/37/61/96/352376196.db2.gz VGMDWMVLHGDFNZ-VHSXEESVSA-N 2 0 256.350 -0.109 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CSCN1 ZINC000252548619 352378776 /nfs/dbraw/zinc/37/87/76/352378776.db2.gz MSORSRHWEHLVFB-HBNTYKKESA-N 2 0 271.386 -0.372 20 0 CBADRP COC(=O)C(C)(C)CC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261920622 352400578 /nfs/dbraw/zinc/40/05/78/352400578.db2.gz KMLJWGASNJRPQW-UHFFFAOYSA-N 2 0 285.388 -0.061 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261662711 352393035 /nfs/dbraw/zinc/39/30/35/352393035.db2.gz FSXVLIRGNFVGKN-AGIUHOORSA-N 2 0 287.404 -0.034 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC000261700264 352393510 /nfs/dbraw/zinc/39/35/10/352393510.db2.gz JFMQINYTTBZEKZ-AWEZNQCLSA-N 2 0 298.431 -0.635 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261765689 352395261 /nfs/dbraw/zinc/39/52/61/352395261.db2.gz IJKJAUSWWDBMQA-NWDGAFQWSA-N 2 0 255.362 -0.096 20 0 CBADRP CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000261753174 352395629 /nfs/dbraw/zinc/39/56/29/352395629.db2.gz QFTIBCBKTVMCIW-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)O1 ZINC000261753961 352395718 /nfs/dbraw/zinc/39/57/18/352395718.db2.gz LITJLVFIMCUGJN-MCIONIFRSA-N 2 0 297.399 -0.327 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])COC)C[C@@H]1N1CCOCC1 ZINC000262212746 352410163 /nfs/dbraw/zinc/41/01/63/352410163.db2.gz FBGKORFKOCMJJH-AGIUHOORSA-N 2 0 285.388 -0.471 20 0 CBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262257558 352412150 /nfs/dbraw/zinc/41/21/50/352412150.db2.gz QLAGBXYFEUGQPR-AWEZNQCLSA-N 2 0 280.416 -0.166 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000263267837 352441319 /nfs/dbraw/zinc/44/13/19/352441319.db2.gz VYNOHQQJDAWRKG-AAEUAGOBSA-N 2 0 284.404 -0.458 20 0 CBADRP Cn1ccnc(N2CC[NH+](CC3CC[NH2+]CC3)CC2)c1=O ZINC000262315414 352415045 /nfs/dbraw/zinc/41/50/45/352415045.db2.gz ZQYVMUGKNMBYHD-UHFFFAOYSA-N 2 0 291.399 -0.098 20 0 CBADRP C[C@H](NC(=O)CNC(=O)C[NH3+])C(C)(C)C[NH+](C)C ZINC000262432000 352421145 /nfs/dbraw/zinc/42/11/45/352421145.db2.gz SPABLSPTVUNWOS-VIFPVBQESA-N 2 0 258.366 -0.846 20 0 CBADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CNC(=O)C[NH3+])C1 ZINC000262464599 352422513 /nfs/dbraw/zinc/42/25/13/352422513.db2.gz YCUUQOCECQGOCT-RYUDHWBXSA-N 2 0 284.404 -0.455 20 0 CBADRP CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000262481967 352423509 /nfs/dbraw/zinc/42/35/09/352423509.db2.gz YBFZLAGIQTVUHV-STQMWFEESA-N 2 0 269.389 -0.053 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000262578550 352426637 /nfs/dbraw/zinc/42/66/37/352426637.db2.gz HKKHKEVSZDJIBT-GFCCVEGCSA-N 2 0 298.431 -0.160 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000262642228 352429592 /nfs/dbraw/zinc/42/95/92/352429592.db2.gz LMEVKQWRUJXMEB-LBPRGKRZSA-N 2 0 256.394 -0.277 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CCN(CCOC(C)C)CC1 ZINC000262745200 352432321 /nfs/dbraw/zinc/43/23/21/352432321.db2.gz ABJQMJYNUHVRND-ZDUSSCGKSA-N 2 0 287.404 -0.081 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[NH2+]1 ZINC000262892392 352435763 /nfs/dbraw/zinc/43/57/63/352435763.db2.gz OTBLMGYZEPKZEN-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000263110083 352437552 /nfs/dbraw/zinc/43/75/52/352437552.db2.gz DRNHPNCNVPONGX-OCCSQVGLSA-N 2 0 296.415 -0.219 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC2=[NH+]CCCN2)CC1 ZINC000261999719 352403000 /nfs/dbraw/zinc/40/30/00/352403000.db2.gz UBJVCELLNMEONS-LBPRGKRZSA-N 2 0 253.394 -0.049 20 0 CBADRP C[N@H+](CC[C@H]1CCOC1)CC(=O)N1CC[NH2+]CC1 ZINC000262040401 352404178 /nfs/dbraw/zinc/40/41/78/352404178.db2.gz YFXJOCFGRQYLOR-LBPRGKRZSA-N 2 0 255.362 -0.223 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000262079778 352406301 /nfs/dbraw/zinc/40/63/01/352406301.db2.gz KOPFUDPNMUUEIY-NHCYSSNCSA-N 2 0 270.377 -0.705 20 0 CBADRP CNC(=O)CC1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262124375 352406742 /nfs/dbraw/zinc/40/67/42/352406742.db2.gz NNGKCNHZZNZSRI-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP Cn1ccnc1CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000286912473 352650592 /nfs/dbraw/zinc/65/05/92/352650592.db2.gz PPHTXLSMCVECKN-LLVKDONJSA-N 2 0 291.355 -0.657 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]C1 ZINC000311767612 352770103 /nfs/dbraw/zinc/77/01/03/352770103.db2.gz VQPLVQPZDAGIBF-FZMZJTMJSA-N 2 0 267.373 -0.035 20 0 CBADRP CN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@@H]1C[NH+]2CCC1CC2 ZINC000311755235 352770320 /nfs/dbraw/zinc/77/03/20/352770320.db2.gz UHOPBDVSJFBIAZ-CHWSQXEVSA-N 2 0 267.373 -0.083 20 0 CBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311769977 352770362 /nfs/dbraw/zinc/77/03/62/352770362.db2.gz XAPVTSTVHSXFGF-MXWKQRLJSA-N 2 0 268.361 -0.238 20 0 CBADRP CN(C(=O)COC1(C)C[NH2+]C1)[C@H]1C[NH+]2CCC1CC2 ZINC000311761890 352770475 /nfs/dbraw/zinc/77/04/75/352770475.db2.gz VBLGTVZBPMHTOL-LBPRGKRZSA-N 2 0 267.373 -0.083 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000315025516 352780182 /nfs/dbraw/zinc/78/01/82/352780182.db2.gz VTCKIGKXYHQLJU-JSGCOSHPSA-N 2 0 296.415 -0.362 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)C[N@@H+]1C1CC1 ZINC000331388201 352910869 /nfs/dbraw/zinc/91/08/69/352910869.db2.gz LOWDFFROQGDGNG-GRYCIOLGSA-N 2 0 294.399 -0.452 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]1 ZINC000331452770 352915669 /nfs/dbraw/zinc/91/56/69/352915669.db2.gz ZKABQYJMYUFLFC-GHMZBOCLSA-N 2 0 280.372 -0.840 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)[C@@H]2C1 ZINC000331515036 352920600 /nfs/dbraw/zinc/92/06/00/352920600.db2.gz MBOLVYSJCGFOCI-JHJVBQTASA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C[C@H]1[NH3+] ZINC000331579231 352925883 /nfs/dbraw/zinc/92/58/83/352925883.db2.gz LJUCQNJLYJSPFR-NWDGAFQWSA-N 2 0 296.415 -0.265 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000331589505 352926185 /nfs/dbraw/zinc/92/61/85/352926185.db2.gz GMPYTXSWRJYKFJ-VXGBXAGGSA-N 2 0 280.372 -0.839 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H]1[NH3+] ZINC000331681929 352926627 /nfs/dbraw/zinc/92/66/27/352926627.db2.gz UBJKOEFZJPXYJL-LPWJVIDDSA-N 2 0 294.399 -0.465 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C[C@H]1[NH3+] ZINC000332218783 352940460 /nfs/dbraw/zinc/94/04/60/352940460.db2.gz IOHPBSNGTREBFQ-GRYCIOLGSA-N 2 0 280.372 -0.901 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000332326110 352944746 /nfs/dbraw/zinc/94/47/46/352944746.db2.gz LICNJGASIZREKO-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)C[C@@H]1[NH3+] ZINC000332357069 352946132 /nfs/dbraw/zinc/94/61/32/352946132.db2.gz WVHONLJPHSOCAB-RYUDHWBXSA-N 2 0 282.388 -0.654 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC[NH2+]1 ZINC000332592169 352967876 /nfs/dbraw/zinc/96/78/76/352967876.db2.gz AUACFHPYRCNYME-NWDGAFQWSA-N 2 0 280.372 -0.887 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000332578336 352968402 /nfs/dbraw/zinc/96/84/02/352968402.db2.gz DOTHSFYGKVYILN-ZDUSSCGKSA-N 2 0 294.399 -0.497 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000333490475 353001730 /nfs/dbraw/zinc/00/17/30/353001730.db2.gz DFEMGRQAMUUCNL-TUAOUCFPSA-N 2 0 270.377 -0.243 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[NH+](C2CCC2)CC1 ZINC000333600843 353005154 /nfs/dbraw/zinc/00/51/54/353005154.db2.gz WKVYAPLPWVAPLF-ZDUSSCGKSA-N 2 0 282.388 -0.146 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCC[NH2+]C3)C[C@H]2[NH3+])cn1 ZINC000333634045 353006356 /nfs/dbraw/zinc/00/63/56/353006356.db2.gz WFZQMSKPXZEYDL-FRRDWIJNSA-N 2 0 292.387 -0.392 20 0 CBADRP O=C(N[C@H]1CCCC[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333735176 353009326 /nfs/dbraw/zinc/00/93/26/353009326.db2.gz WUUJNQWQTSNALK-TUAOUCFPSA-N 2 0 252.362 -0.011 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N1CC[NH+](C2CCC2)CC1 ZINC000333775728 353009624 /nfs/dbraw/zinc/00/96/24/353009624.db2.gz CWDCWCYEOALSCV-UHFFFAOYSA-N 2 0 295.431 -0.229 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)C[C@H]1[NH+](C)C ZINC000333861124 353013069 /nfs/dbraw/zinc/01/30/69/353013069.db2.gz SCFRCTYKEKHGLH-FRRDWIJNSA-N 2 0 284.404 -0.044 20 0 CBADRP C[N@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@@H](O)C[NH3+] ZINC000336848849 353064104 /nfs/dbraw/zinc/06/41/04/353064104.db2.gz NLZSUUPIWZYIOJ-NSHDSACASA-N 2 0 291.351 -0.076 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NCCC[NH+](C)C ZINC000336696414 353048166 /nfs/dbraw/zinc/04/81/66/353048166.db2.gz CWIDJGQDANRELZ-LLVKDONJSA-N 2 0 258.366 -0.846 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCCNC1=O ZINC000336799444 353055114 /nfs/dbraw/zinc/05/51/14/353055114.db2.gz IOMZGVQXOWWHMO-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)CC[NH+](C)C ZINC000336805391 353056752 /nfs/dbraw/zinc/05/67/52/353056752.db2.gz YKHRRUBZSFVBOD-CMPLNLGQSA-N 2 0 272.393 -0.458 20 0 CBADRP COC(=O)CNC(=O)CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152336847 188010668 /nfs/dbraw/zinc/01/06/68/188010668.db2.gz DYQGINHXUUBDBP-LBPRGKRZSA-N 2 0 285.388 -0.061 20 0 CBADRP CC[NH+](CC)CCS(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000340051720 353146261 /nfs/dbraw/zinc/14/62/61/353146261.db2.gz OLJFXOHIWQAHMC-GFCCVEGCSA-N 2 0 295.449 -0.440 20 0 CBADRP C[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000340184891 353154803 /nfs/dbraw/zinc/15/48/03/353154803.db2.gz KNASLZRKJKEMSK-ZJUUUORDSA-N 2 0 256.350 -0.963 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)C[C@H](C)[NH3+])CC1 ZINC000340182951 353155017 /nfs/dbraw/zinc/15/50/17/353155017.db2.gz GSCWUSRGKOXRFZ-LBPRGKRZSA-N 2 0 256.394 -0.133 20 0 CBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H](C)[NH3+])CC1 ZINC000340184145 353155125 /nfs/dbraw/zinc/15/51/25/353155125.db2.gz PYUZXEACNXOTIP-VXGBXAGGSA-N 2 0 256.394 -0.277 20 0 CBADRP C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@]1(C)CC[NH2+]C1 ZINC000340700265 353182660 /nfs/dbraw/zinc/18/26/60/353182660.db2.gz LJBBZETYGGJNFC-ZIAGYGMSSA-N 2 0 271.405 -0.389 20 0 CBADRP CNC(=O)CC[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000340687061 353182671 /nfs/dbraw/zinc/18/26/71/353182671.db2.gz PNRIWYXGIFLYQZ-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC000342766320 353231876 /nfs/dbraw/zinc/23/18/76/353231876.db2.gz UKUMGJHJLFGOJI-SNVBAGLBSA-N 2 0 259.350 -0.277 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000342766804 353231931 /nfs/dbraw/zinc/23/19/31/353231931.db2.gz XNYVNEZAHAXVKZ-MNOVXSKESA-N 2 0 271.361 -0.181 20 0 CBADRP COC(=O)c1cn(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)nn1 ZINC000342807025 353233589 /nfs/dbraw/zinc/23/35/89/353233589.db2.gz VKQYIJAKCBMZLU-QWRGUYRKSA-N 2 0 281.360 -0.006 20 0 CBADRP CS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342130830 353219660 /nfs/dbraw/zinc/21/96/60/353219660.db2.gz NYWRXNKTSHMXDP-AXFHLTTASA-N 2 0 261.391 -0.405 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000342687152 353227278 /nfs/dbraw/zinc/22/72/78/353227278.db2.gz AUULDHMKOQCFMY-MNOVXSKESA-N 2 0 271.361 -0.277 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2CC[NH2+]C2)CC1=O ZINC000342699726 353227976 /nfs/dbraw/zinc/22/79/76/353227976.db2.gz AOJBLRXJZWYOAD-NEPJUHHUSA-N 2 0 282.388 -0.878 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000342715186 353228973 /nfs/dbraw/zinc/22/89/73/353228973.db2.gz CJFSNDAOLVQADP-QWRGUYRKSA-N 2 0 269.345 -0.427 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000342715187 353229074 /nfs/dbraw/zinc/22/90/74/353229074.db2.gz CJFSNDAOLVQADP-WDEREUQCSA-N 2 0 269.345 -0.427 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000342715185 353229191 /nfs/dbraw/zinc/22/91/91/353229191.db2.gz CJFSNDAOLVQADP-MNOVXSKESA-N 2 0 269.345 -0.427 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000342723816 353229515 /nfs/dbraw/zinc/22/95/15/353229515.db2.gz BESOHCPVSGJVEY-CHWSQXEVSA-N 2 0 296.415 -0.310 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000417322145 295858715 /nfs/dbraw/zinc/85/87/15/295858715.db2.gz UXUGLHORQBIWGX-ZDUSSCGKSA-N 2 0 285.436 -0.079 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000343453240 353273370 /nfs/dbraw/zinc/27/33/70/353273370.db2.gz HKAQARKALOECPB-ZMLRMANQSA-N 2 0 283.372 -0.134 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343309119 353266638 /nfs/dbraw/zinc/26/66/38/353266638.db2.gz VYXUCHPKDSZRLK-ZIAGYGMSSA-N 2 0 280.416 -0.071 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343309117 353266961 /nfs/dbraw/zinc/26/69/61/353266961.db2.gz VYXUCHPKDSZRLK-UONOGXRCSA-N 2 0 280.416 -0.071 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000343588987 353280464 /nfs/dbraw/zinc/28/04/64/353280464.db2.gz SGFZSNABGRVCQP-UONOGXRCSA-N 2 0 296.415 -0.787 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000343592142 353280499 /nfs/dbraw/zinc/28/04/99/353280499.db2.gz KMSCHFWEHRBNEM-QXEWZRGKSA-N 2 0 256.350 -0.966 20 0 CBADRP COCC[C@]1(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)CC[NH2+]C1 ZINC000343597254 353281092 /nfs/dbraw/zinc/28/10/92/353281092.db2.gz MWPFKOLOECFPAW-DMDPSCGWSA-N 2 0 255.362 -0.049 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC1=CC[NH+](C)CC1 ZINC000343694443 353285387 /nfs/dbraw/zinc/28/53/87/353285387.db2.gz NZDUGTQWFOLESF-AWEZNQCLSA-N 2 0 295.431 -0.207 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000343863184 353295509 /nfs/dbraw/zinc/29/55/09/353295509.db2.gz OTINSDMVTGDCSK-ZJUUUORDSA-N 2 0 257.334 -0.571 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000346157626 353364601 /nfs/dbraw/zinc/36/46/01/353364601.db2.gz CBZNCLAEZHLLSQ-VXGBXAGGSA-N 2 0 284.404 -0.537 20 0 CBADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000346649004 353388039 /nfs/dbraw/zinc/38/80/39/353388039.db2.gz GIBSPJTZIBINHW-ZJUUUORDSA-N 2 0 266.345 -0.747 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000348989497 353442994 /nfs/dbraw/zinc/44/29/94/353442994.db2.gz JHLDFEKZOZJFIM-NSHDSACASA-N 2 0 253.346 -0.282 20 0 CBADRP CC[N@@H+]1CCC[C@@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000348989523 353443340 /nfs/dbraw/zinc/44/33/40/353443340.db2.gz JNEIKZARZJBXMB-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H](CNC(=O)CCOC1C[NH2+]C1)[N@H+](C)C1CC1 ZINC000349030830 353445788 /nfs/dbraw/zinc/44/57/88/353445788.db2.gz SZKZATMUJJOARM-JTQLQIEISA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@H]1C[NH+](CCCNC(=O)CCOC2C[NH2+]C2)C[C@H](C)O1 ZINC000349026329 353445904 /nfs/dbraw/zinc/44/59/04/353445904.db2.gz JZONVTSZNILPQH-STQMWFEESA-N 2 0 299.415 -0.020 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000349639113 353458032 /nfs/dbraw/zinc/45/80/32/353458032.db2.gz RCULNOIPPWFGIN-QWHCGFSZSA-N 2 0 285.436 -0.128 20 0 CBADRP CC[NH+](CC)CCNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000349780622 353462977 /nfs/dbraw/zinc/46/29/77/353462977.db2.gz WQKAEMDAHCBINU-CYBMUJFWSA-N 2 0 285.436 -0.127 20 0 CBADRP CC[NH+](CC)CCNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000349780623 353463221 /nfs/dbraw/zinc/46/32/21/353463221.db2.gz WQKAEMDAHCBINU-ZDUSSCGKSA-N 2 0 285.436 -0.127 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000350046371 353471227 /nfs/dbraw/zinc/47/12/27/353471227.db2.gz CGHSQMCOHXSZBW-KBPBESRZSA-N 2 0 297.447 -0.032 20 0 CBADRP Cn1cc(C[NH+]2CCC(C[NH+](C)C)CC2)c(=O)n(C)c1=O ZINC000350152678 353472674 /nfs/dbraw/zinc/47/26/74/353472674.db2.gz ZEDDLBPERULJJY-UHFFFAOYSA-N 2 0 294.399 -0.142 20 0 CBADRP CC1CC[NH+](CC(=O)N(C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000353055905 353519372 /nfs/dbraw/zinc/51/93/72/353519372.db2.gz AVRDCSUPAOBTFW-UHFFFAOYSA-N 2 0 296.415 -0.392 20 0 CBADRP C[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000354666834 353576037 /nfs/dbraw/zinc/57/60/37/353576037.db2.gz MIBMRWSDIKHYFY-GRYCIOLGSA-N 2 0 282.388 -0.547 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354669548 353576956 /nfs/dbraw/zinc/57/69/56/353576956.db2.gz IIAMQWRLEQJDOK-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP CCC(CC)(C[NH3+])NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354671644 353576979 /nfs/dbraw/zinc/57/69/79/353576979.db2.gz PRBDXESDRDWXPW-NSHDSACASA-N 2 0 284.404 -0.122 20 0 CBADRP CC(C)[N@H+](C)CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354714737 353580479 /nfs/dbraw/zinc/58/04/79/353580479.db2.gz OWOPSNVBKLXZCX-LBPRGKRZSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000355250622 353590457 /nfs/dbraw/zinc/59/04/57/353590457.db2.gz DXFLKHJZILEJSB-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000357066141 353600846 /nfs/dbraw/zinc/60/08/46/353600846.db2.gz BQIZDHBRJIUJFW-NSHDSACASA-N 2 0 279.406 -0.635 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@]1(O)CC[N@H+](C)C1)[NH+](C)C ZINC000358063698 353623018 /nfs/dbraw/zinc/62/30/18/353623018.db2.gz ZMBUYSDCAWUQTL-YPMHNXCESA-N 2 0 257.378 -0.245 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)CN2CCO[C@@H](C[NH3+])C2)CC1 ZINC000358132053 353628721 /nfs/dbraw/zinc/62/87/21/353628721.db2.gz CLQPWDNALYKSFS-AWEZNQCLSA-N 2 0 298.431 -0.365 20 0 CBADRP O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)NC1CC[NH+](C2CC2)CC1 ZINC000359299588 353653289 /nfs/dbraw/zinc/65/32/89/353653289.db2.gz GMGQQCLRNDUXJW-BETUJISGSA-N 3 0 292.427 -0.119 20 0 CBADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000357903372 353612933 /nfs/dbraw/zinc/61/29/33/353612933.db2.gz GGZBDJHIAUFOTE-KGLIPLIRSA-N 2 0 299.415 -0.285 20 0 CBADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000357906560 353613384 /nfs/dbraw/zinc/61/33/84/353613384.db2.gz DNDICFBZFFXIHA-UONOGXRCSA-N 2 0 298.431 -0.901 20 0 CBADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000357932952 353615478 /nfs/dbraw/zinc/61/54/78/353615478.db2.gz XYTVHQZBFOMYNE-MELADBBJSA-N 2 0 281.400 -0.101 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000362448781 353667034 /nfs/dbraw/zinc/66/70/34/353667034.db2.gz SHHKOBDHBUFJHK-UONOGXRCSA-N 2 0 282.432 -0.062 20 0 CBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)C3C[NH2+]C3)C2)CC1 ZINC000364238408 353671138 /nfs/dbraw/zinc/67/11/38/353671138.db2.gz QVLIVEFHYFAKIS-LBPRGKRZSA-N 2 0 266.389 -0.510 20 0 CBADRP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CNC(=O)C[NH3+] ZINC000364223956 353671421 /nfs/dbraw/zinc/67/14/21/353671421.db2.gz BVGQNALPFOFJKH-MNOVXSKESA-N 2 0 268.361 -0.854 20 0 CBADRP O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cccn1C1CC[NH2+]CC1 ZINC000367041195 353680111 /nfs/dbraw/zinc/68/01/11/353680111.db2.gz SHQXYPHMSXAVJZ-RISCZKNCSA-N 2 0 292.383 -0.277 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000373564425 353732966 /nfs/dbraw/zinc/73/29/66/353732966.db2.gz YDSDLPDMHYBIGI-RWMBFGLXSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@]2(F)CC[NH2+]C2)CCOCC1 ZINC000372105303 353710907 /nfs/dbraw/zinc/71/09/07/353710907.db2.gz JOIJKGKXFYFPIS-ZDUSSCGKSA-N 2 0 273.352 -0.085 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NC1C[NH2+]C1 ZINC000372573129 353719422 /nfs/dbraw/zinc/71/94/22/353719422.db2.gz QVQXLLWRVKNHSR-CWSCBRNRSA-N 2 0 253.346 -0.393 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NC1C[NH2+]C1 ZINC000372573126 353719767 /nfs/dbraw/zinc/71/97/67/353719767.db2.gz QVQXLLWRVKNHSR-BREBYQMCSA-N 2 0 253.346 -0.393 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000375717507 353766056 /nfs/dbraw/zinc/76/60/56/353766056.db2.gz GPIRXRMXLULKLC-NEPJUHHUSA-N 2 0 287.429 0.000 20 0 CBADRP CNS(=O)(=O)CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000375898840 353769426 /nfs/dbraw/zinc/76/94/26/353769426.db2.gz YHWOPFJODBXKKK-UTUOFQBUSA-N 2 0 275.418 -0.002 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000375961731 353769853 /nfs/dbraw/zinc/76/98/53/353769853.db2.gz DFHMDMOKNIPLLB-SDDRHHMPSA-N 2 0 255.362 -0.049 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000375986495 353770512 /nfs/dbraw/zinc/77/05/12/353770512.db2.gz DXSXNHDJEUSZIX-LBPRGKRZSA-N 2 0 273.377 -0.551 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000376252273 353773349 /nfs/dbraw/zinc/77/33/49/353773349.db2.gz GPTGPPVYKSZIQW-JTQLQIEISA-N 2 0 293.371 -0.494 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000376719507 353775427 /nfs/dbraw/zinc/77/54/27/353775427.db2.gz DFLISQZFGPZJDP-AAEUAGOBSA-N 2 0 273.352 -0.085 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000376817219 353776110 /nfs/dbraw/zinc/77/61/10/353776110.db2.gz ALFAVXAIWLVHLK-ZDUSSCGKSA-N 2 0 273.377 -0.645 20 0 CBADRP CN(C)S(=O)(=O)CCN[C@@H]1CC[NH2+]CC1(C)C ZINC000383129976 353785012 /nfs/dbraw/zinc/78/50/12/353785012.db2.gz RXBHSWGVBLXPCU-SNVBAGLBSA-N 2 0 263.407 -0.145 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN(C)C[C@H]1CCC[NH+]1C ZINC000388891489 353790690 /nfs/dbraw/zinc/79/06/90/353790690.db2.gz FWFWMVPSIDCIQY-ZIAGYGMSSA-N 2 0 273.421 -0.049 20 0 CBADRP C[NH2+]CC1CC[NH+](CCS(=O)(=O)N(C)C)CC1 ZINC000393884386 353793414 /nfs/dbraw/zinc/79/34/14/353793414.db2.gz QDXHOXLKPGXRGK-UHFFFAOYSA-N 2 0 263.407 -0.191 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[NH2+]CC1 ZINC000394339601 353794413 /nfs/dbraw/zinc/79/44/13/353794413.db2.gz FLKJMMGCNXEFHY-KGLIPLIRSA-N 2 0 280.416 -0.023 20 0 CBADRP COCC[NH2+]CC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000394149878 353794444 /nfs/dbraw/zinc/79/44/44/353794444.db2.gz SAYYDIHEQGHSJJ-GFCCVEGCSA-N 2 0 255.362 -0.225 20 0 CBADRP CN1CCN(C(=O)CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000408164512 353862360 /nfs/dbraw/zinc/86/23/60/353862360.db2.gz MGABEYYHZSOUCK-LBPRGKRZSA-N 2 0 282.388 -0.639 20 0 CBADRP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000408076705 353845143 /nfs/dbraw/zinc/84/51/43/353845143.db2.gz MPIYMUJFKUUUFH-VIFPVBQESA-N 2 0 256.350 -0.157 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC[NH+](C)C ZINC000410813028 353937038 /nfs/dbraw/zinc/93/70/38/353937038.db2.gz VOGUXEBAXCDLES-UHFFFAOYSA-N 2 0 286.420 -0.193 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC2([NH+](C)C)CC2)CC1=O ZINC000416300522 353967898 /nfs/dbraw/zinc/96/78/98/353967898.db2.gz JFVKPOFWOJQQOP-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418422668 353996921 /nfs/dbraw/zinc/99/69/21/353996921.db2.gz BEVYQELTIOPIGS-LLVKDONJSA-N 2 0 260.382 -0.105 20 0 CBADRP CC[NH+](CC)CCNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000416788307 353972920 /nfs/dbraw/zinc/97/29/20/353972920.db2.gz IABWPPQVHJCMAO-LBPRGKRZSA-N 2 0 271.409 -0.469 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](C)C[NH3+])C1 ZINC000416873438 353973469 /nfs/dbraw/zinc/97/34/69/353973469.db2.gz RQJAFCACVOQUMI-NEPJUHHUSA-N 2 0 272.393 -0.010 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH2+]CC2)C1 ZINC000416865744 353973780 /nfs/dbraw/zinc/97/37/80/353973780.db2.gz JQPRRRKZMWNPIF-ZDUSSCGKSA-N 2 0 284.404 -0.042 20 0 CBADRP CC(C)[C@@H](CNC(=O)N1CC[NH2+]CC1)N1CCOCC1 ZINC000416938281 353973922 /nfs/dbraw/zinc/97/39/22/353973922.db2.gz KWZDIQUKOALCLR-CYBMUJFWSA-N 2 0 284.404 -0.042 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000417446640 353977876 /nfs/dbraw/zinc/97/78/76/353977876.db2.gz MNTAHTGULPGTFZ-CHWSQXEVSA-N 2 0 285.436 -0.081 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000418424171 353997234 /nfs/dbraw/zinc/99/72/34/353997234.db2.gz GMVDICQPUOXXAU-DGCLKSJQSA-N 2 0 272.393 -0.274 20 0 CBADRP C[N@H+](CCNC(=O)NCC(F)(F)CN)C1CC1 ZINC000417629679 353981249 /nfs/dbraw/zinc/98/12/49/353981249.db2.gz SPXFKRZCESWMEP-UHFFFAOYSA-N 2 0 250.293 -0.026 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)N1CCC[NH2+]CC1 ZINC000417743534 353983081 /nfs/dbraw/zinc/98/30/81/353983081.db2.gz CDKDVZVPMXENHE-UHFFFAOYSA-N 2 0 272.393 -0.040 20 0 CBADRP C[C@H]1CC[NH2+][C@H](C(=O)N(C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000417777231 353983355 /nfs/dbraw/zinc/98/33/55/353983355.db2.gz CEZVZZNXUSZPNC-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)NCC[N@H+](C)CCCOC ZINC000417760311 353983527 /nfs/dbraw/zinc/98/35/27/353983527.db2.gz XMAGXRMXVWEITR-NSHDSACASA-N 2 0 260.382 -0.009 20 0 CBADRP C[C@H]1[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC[N@@H+]1C ZINC000418002229 353986156 /nfs/dbraw/zinc/98/61/56/353986156.db2.gz MCMWVOVQRZRUAQ-PREPNJAASA-N 2 0 252.362 -0.014 20 0 CBADRP C[C@H]1[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)CCC[N@@H+]1C ZINC000418004228 353986805 /nfs/dbraw/zinc/98/68/05/353986805.db2.gz NXXKFBZJTCJNET-RYUDHWBXSA-N 2 0 282.388 -0.147 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)NCCOCC[NH+](C)C ZINC000418065230 353987831 /nfs/dbraw/zinc/98/78/31/353987831.db2.gz JNPWFBAIKMCBGN-LLVKDONJSA-N 2 0 260.382 -0.138 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)NCCCN1CC[NH2+]CC1 ZINC000418285251 353990050 /nfs/dbraw/zinc/99/00/50/353990050.db2.gz FIXJLNZORNTPRC-ZDUSSCGKSA-N 2 0 285.436 -0.046 20 0 CBADRP C[C@@H]1CCN(C(=O)NCCCN2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000418284279 353990372 /nfs/dbraw/zinc/99/03/72/353990372.db2.gz BJSKSECJIRYJKO-ZIAGYGMSSA-N 2 0 297.447 -0.092 20 0 CBADRP C[NH2+]CCCNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000418278132 353990559 /nfs/dbraw/zinc/99/05/59/353990559.db2.gz KTAPVBFDBFJENW-TXEJJXNPSA-N 2 0 272.393 -0.308 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418297566 353991996 /nfs/dbraw/zinc/99/19/96/353991996.db2.gz LFBCNIRYFOQAQD-UHFFFAOYSA-N 2 0 283.420 -0.373 20 0 CBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCN1CC[NH2+]CC1 ZINC000418306426 353992789 /nfs/dbraw/zinc/99/27/89/353992789.db2.gz QWZVMASMPICGRS-CYBMUJFWSA-N 2 0 285.436 -0.094 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000418305836 353992986 /nfs/dbraw/zinc/99/29/86/353992986.db2.gz PEOXRGJOTVLBRM-QWHCGFSZSA-N 2 0 283.420 -0.197 20 0 CBADRP C[NH2+]CCNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000418329339 353993819 /nfs/dbraw/zinc/99/38/19/353993819.db2.gz OSGOAAYEZAQFHA-LLVKDONJSA-N 2 0 272.393 -0.308 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000418355362 353994690 /nfs/dbraw/zinc/99/46/90/353994690.db2.gz BJHISNWYMNZQRC-OLZOCXBDSA-N 2 0 284.404 -0.116 20 0 CBADRP C[C@H]1CN(C(=O)NCCC[NH3+])CC[N@@H+]1CC(C)(C)O ZINC000418362898 353994781 /nfs/dbraw/zinc/99/47/81/353994781.db2.gz VFBVJQBUZDAJBZ-NSHDSACASA-N 2 0 272.393 -0.178 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000418355364 353995058 /nfs/dbraw/zinc/99/50/58/353995058.db2.gz BJHISNWYMNZQRC-STQMWFEESA-N 2 0 284.404 -0.116 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)NC[C@H]1CCCC[N@H+]1CCO ZINC000418379733 353995660 /nfs/dbraw/zinc/99/56/60/353995660.db2.gz WGNQEGUSKLZOGQ-QWHCGFSZSA-N 2 0 284.404 -0.116 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418382981 353996092 /nfs/dbraw/zinc/99/60/92/353996092.db2.gz INNWANVNVIJPLA-LLVKDONJSA-N 2 0 260.382 -0.417 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418391747 353996104 /nfs/dbraw/zinc/99/61/04/353996104.db2.gz YVKRXUVKLQSHRV-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000419236853 354040464 /nfs/dbraw/zinc/04/04/64/354040464.db2.gz LDSVUUNOEQPSCK-NSHDSACASA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](C[NH3+])NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000418511933 354000848 /nfs/dbraw/zinc/00/08/48/354000848.db2.gz KLHRAHZVAPROJV-VXGBXAGGSA-N 2 0 272.393 -0.274 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000418575705 354003737 /nfs/dbraw/zinc/00/37/37/354003737.db2.gz XADBDCMIJAJNDN-LBPRGKRZSA-N 2 0 297.403 -0.717 20 0 CBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000418677694 354005326 /nfs/dbraw/zinc/00/53/26/354005326.db2.gz VBNULSOAGVSMKG-IGQOVBAYSA-N 2 0 296.415 -0.404 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418691742 354006217 /nfs/dbraw/zinc/00/62/17/354006217.db2.gz YWLGSJTVTXHSED-IHRRRGAJSA-N 2 0 297.447 -0.046 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000418737823 354006294 /nfs/dbraw/zinc/00/62/94/354006294.db2.gz WFSCOYVXLOETAP-WOPDTQHZSA-N 2 0 272.393 -0.180 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418691743 354006451 /nfs/dbraw/zinc/00/64/51/354006451.db2.gz YWLGSJTVTXHSED-MGPQQGTHSA-N 2 0 297.447 -0.046 20 0 CBADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418772200 354008965 /nfs/dbraw/zinc/00/89/65/354008965.db2.gz SKRBJAXQBULPHD-CHWSQXEVSA-N 2 0 284.404 -0.044 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418781568 354009091 /nfs/dbraw/zinc/00/90/91/354009091.db2.gz CRPFISFTUZMPBD-MELADBBJSA-N 2 0 298.431 -0.012 20 0 CBADRP Cc1ccc([C@@H](CNC(=O)C(=O)NCC[NH3+])[NH+](C)C)cc1 ZINC000418805557 354009990 /nfs/dbraw/zinc/00/99/90/354009990.db2.gz BHZCGELIQZKKSL-CYBMUJFWSA-N 2 0 292.383 -0.211 20 0 CBADRP O=C(NCCNc1cc[nH+]cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000418803683 354010001 /nfs/dbraw/zinc/01/00/01/354010001.db2.gz YUUQEFNEZULAAG-CYBMUJFWSA-N 2 0 293.371 -0.407 20 0 CBADRP CC(C)(CNC(=O)C(=O)N1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000418826017 354010466 /nfs/dbraw/zinc/01/04/66/354010466.db2.gz BZDNIACTCVFZQE-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418816718 354010704 /nfs/dbraw/zinc/01/07/04/354010704.db2.gz GRDOLBVNELZDDR-LBPRGKRZSA-N 2 0 298.431 -0.064 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000418843068 354011682 /nfs/dbraw/zinc/01/16/82/354011682.db2.gz RDBXOVLQMVUJHS-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000418838402 354011782 /nfs/dbraw/zinc/01/17/82/354011782.db2.gz VFOPBUSVPSMUBS-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)(CNC(=O)C(=O)NCCC[NH3+])[NH+]1CCCCC1 ZINC000418836437 354011911 /nfs/dbraw/zinc/01/19/11/354011911.db2.gz PTBXAUBIECPBPA-UHFFFAOYSA-N 2 0 284.404 -0.168 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000418880333 354014356 /nfs/dbraw/zinc/01/43/56/354014356.db2.gz VHNNGBNBSLXBFA-RYUDHWBXSA-N 2 0 296.415 -0.204 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000418950125 354016487 /nfs/dbraw/zinc/01/64/87/354016487.db2.gz VSGMQTOCKKJULO-UHFFFAOYSA-N 2 0 292.383 -0.348 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000418984076 354019332 /nfs/dbraw/zinc/01/93/32/354019332.db2.gz KVQJWDYXOVCQEX-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP CC1CC[NH+](CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000418996795 354021353 /nfs/dbraw/zinc/02/13/53/354021353.db2.gz KOULCRRMBVTFDW-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000419007224 354022817 /nfs/dbraw/zinc/02/28/17/354022817.db2.gz UDYHEZVGQSUIST-LLVKDONJSA-N 2 0 270.377 -0.558 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000419008947 354023115 /nfs/dbraw/zinc/02/31/15/354023115.db2.gz WLKIBKRCDQWBIU-ZDUSSCGKSA-N 2 0 298.431 -0.064 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000419021378 354023587 /nfs/dbraw/zinc/02/35/87/354023587.db2.gz GZWPTELUEWBBJI-XQQFMLRXSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419018912 354023758 /nfs/dbraw/zinc/02/37/58/354023758.db2.gz CVUSIUXPAPZSSG-FVCCEPFGSA-N 2 0 298.431 -0.068 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419019483 354024005 /nfs/dbraw/zinc/02/40/05/354024005.db2.gz DQHXIFPXDJSODL-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419024909 354024244 /nfs/dbraw/zinc/02/42/44/354024244.db2.gz LGUSZYKCAFWJGZ-UPJWGTAASA-N 2 0 296.415 -0.299 20 0 CBADRP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000419025648 354024334 /nfs/dbraw/zinc/02/43/34/354024334.db2.gz OCHIWGUEJWFFSO-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[NH3+] ZINC000419027305 354025413 /nfs/dbraw/zinc/02/54/13/354025413.db2.gz OMOPDNNSYBJPGW-TUAOUCFPSA-N 2 0 284.404 -0.456 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000419033210 354026129 /nfs/dbraw/zinc/02/61/29/354026129.db2.gz YFEPTQHKKQZHIT-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419080738 354027308 /nfs/dbraw/zinc/02/73/08/354027308.db2.gz QFMCJNRPRWOAQE-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419083625 354027534 /nfs/dbraw/zinc/02/75/34/354027534.db2.gz XAPMLILZFDQDSF-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419083334 354027642 /nfs/dbraw/zinc/02/76/42/354027642.db2.gz WIFLUBHBRKGHRQ-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419096064 354028626 /nfs/dbraw/zinc/02/86/26/354028626.db2.gz DEHAZISIVQWGDH-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419109423 354028705 /nfs/dbraw/zinc/02/87/05/354028705.db2.gz RHYINENKLYATCI-CMPLNLGQSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419109429 354028861 /nfs/dbraw/zinc/02/88/61/354028861.db2.gz RHYINENKLYATCI-PWSUYJOCSA-N 2 0 282.388 -0.689 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000419100694 354028967 /nfs/dbraw/zinc/02/89/67/354028967.db2.gz JEJTVSHUFSUVIU-YPMHNXCESA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000419134653 354030712 /nfs/dbraw/zinc/03/07/12/354030712.db2.gz KMTCXBSKCIEIGJ-MNOVXSKESA-N 2 0 286.420 -0.068 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419133820 354030875 /nfs/dbraw/zinc/03/08/75/354030875.db2.gz HGUNUGOKIWBAGG-AVGNSLFASA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419144670 354031127 /nfs/dbraw/zinc/03/11/27/354031127.db2.gz XYILSMYSCBCGGP-YNEHKIRRSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000419142270 354031819 /nfs/dbraw/zinc/03/18/19/354031819.db2.gz VYUHRMNAXABXOG-XQQFMLRXSA-N 2 0 296.415 -0.171 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419279587 354043321 /nfs/dbraw/zinc/04/33/21/354043321.db2.gz CWMADPYKAILPLB-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419279586 354043338 /nfs/dbraw/zinc/04/33/38/354043338.db2.gz CWMADPYKAILPLB-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419147030 354032238 /nfs/dbraw/zinc/03/22/38/354032238.db2.gz IZTBNFLVSXOWPE-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419144900 354032553 /nfs/dbraw/zinc/03/25/53/354032553.db2.gz GYUZDGGIXMZGAO-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000419158838 354033944 /nfs/dbraw/zinc/03/39/44/354033944.db2.gz YLGRRQYOHBCJSG-YPMHNXCESA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[NH+]1CCC(C)CC1 ZINC000419165021 354034852 /nfs/dbraw/zinc/03/48/52/354034852.db2.gz ZYHFMHXQZABCFQ-CHWSQXEVSA-N 2 0 296.415 -0.217 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000419218000 354037109 /nfs/dbraw/zinc/03/71/09/354037109.db2.gz FIQARXFNGWXVLE-NSHDSACASA-N 2 0 268.361 -0.782 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419279006 354043486 /nfs/dbraw/zinc/04/34/86/354043486.db2.gz BVCRSRGAOSRVSP-NSHDSACASA-N 2 0 272.393 -0.455 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000419219720 354038039 /nfs/dbraw/zinc/03/80/39/354038039.db2.gz HPKSEIJMQUNVJQ-LBPRGKRZSA-N 2 0 282.388 -0.440 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000419222945 354038306 /nfs/dbraw/zinc/03/83/06/354038306.db2.gz LMTCTEBJFABPIR-STQMWFEESA-N 2 0 294.399 -0.440 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419226537 354039007 /nfs/dbraw/zinc/03/90/07/354039007.db2.gz JEMFQOPVMOWROA-WCQYABFASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC[N@@H+]1C ZINC000419556631 354061900 /nfs/dbraw/zinc/06/19/00/354061900.db2.gz KWTYMLIQUNYINT-NDBYEHHHSA-N 2 0 294.399 -0.737 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000419566012 354062407 /nfs/dbraw/zinc/06/24/07/354062407.db2.gz ZJGQLTGGAMJWNI-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H]1[C@H](NC(=O)C(=O)NCCC[NH2+]C2CC2)CCC[N@@H+]1C ZINC000419564097 354062919 /nfs/dbraw/zinc/06/29/19/354062919.db2.gz WZEUMCBEOKUEOW-WCQYABFASA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000419581502 354063438 /nfs/dbraw/zinc/06/34/38/354063438.db2.gz IIDNOYPUBZVXRR-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000419585681 354064138 /nfs/dbraw/zinc/06/41/38/354064138.db2.gz LXTSSSNJRSPYDJ-GHMZBOCLSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419593163 354064575 /nfs/dbraw/zinc/06/45/75/354064575.db2.gz SRMDFWRFCYZWPY-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000419593576 354064764 /nfs/dbraw/zinc/06/47/64/354064764.db2.gz SWMMJACYZAIGLS-AAEUAGOBSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419595652 354064995 /nfs/dbraw/zinc/06/49/95/354064995.db2.gz WVWZJIDVAQSXFY-LBPRGKRZSA-N 2 0 296.415 -0.025 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000419660925 354068165 /nfs/dbraw/zinc/06/81/65/354068165.db2.gz DGQMFWGQIFEWOQ-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000419659517 354068448 /nfs/dbraw/zinc/06/84/48/354068448.db2.gz ABGFDNHSKCRKRI-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419692820 354070523 /nfs/dbraw/zinc/07/05/23/354070523.db2.gz HRDGNIYUTXTDGN-NEPJUHHUSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419697074 354070603 /nfs/dbraw/zinc/07/06/03/354070603.db2.gz QBSNSOPWRXKVJL-NSHDSACASA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](CCNC(=O)C(=O)N(C)CC[NH3+])[NH+]1CCCCC1 ZINC000419706221 354071440 /nfs/dbraw/zinc/07/14/40/354071440.db2.gz CIRSBUFIUQUWRA-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419733633 354073873 /nfs/dbraw/zinc/07/38/73/354073873.db2.gz OGSOGITVZCYXAI-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000419730510 354074177 /nfs/dbraw/zinc/07/41/77/354074177.db2.gz KCJQQHUDHJOHSE-AAEUAGOBSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419734278 354074250 /nfs/dbraw/zinc/07/42/50/354074250.db2.gz PBWLTLQWCXWQCE-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CC[NH2+]CC1 ZINC000419740745 354074740 /nfs/dbraw/zinc/07/47/40/354074740.db2.gz XZVDDRCKEXDEAC-CYBMUJFWSA-N 2 0 294.399 -0.449 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419762161 354075699 /nfs/dbraw/zinc/07/56/99/354075699.db2.gz LOFIHBICKHIGFF-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N(C)CC[NH3+] ZINC000419768391 354076231 /nfs/dbraw/zinc/07/62/31/354076231.db2.gz UJCIFHYKTYQTOC-UHFFFAOYSA-N 2 0 258.366 -0.748 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419770128 354076616 /nfs/dbraw/zinc/07/66/16/354076616.db2.gz DECYIKQBQGCQDF-VXGBXAGGSA-N 2 0 286.420 -0.195 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000419770429 354076673 /nfs/dbraw/zinc/07/66/73/354076673.db2.gz FGPSUHHWHRKDKO-QWRGUYRKSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000419785072 354077220 /nfs/dbraw/zinc/07/72/20/354077220.db2.gz YHBMNFHIWDOZPU-NEPJUHHUSA-N 2 0 298.431 -0.066 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000419787933 354078407 /nfs/dbraw/zinc/07/84/07/354078407.db2.gz YMKICFNWILSKTB-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])C[NH+]1CCCC1 ZINC000419802220 354079112 /nfs/dbraw/zinc/07/91/12/354079112.db2.gz AMUVHIQPHXBQBW-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000419802221 354079267 /nfs/dbraw/zinc/07/92/67/354079267.db2.gz AMUVHIQPHXBQBW-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000419815098 354079339 /nfs/dbraw/zinc/07/93/39/354079339.db2.gz HNJRRIULGPTSKZ-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[NH2+]CC1 ZINC000419805042 354079556 /nfs/dbraw/zinc/07/95/56/354079556.db2.gz BVDCQGMDQXBCQX-NWDGAFQWSA-N 2 0 280.372 -0.839 20 0 CBADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NCC[NH3+] ZINC000419813586 354079595 /nfs/dbraw/zinc/07/95/95/354079595.db2.gz GXYLLDKYOKQFQU-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000419823711 354080362 /nfs/dbraw/zinc/08/03/62/354080362.db2.gz MGAQZWGWTJOOGZ-RYUDHWBXSA-N 2 0 284.404 -0.455 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000419823709 354080430 /nfs/dbraw/zinc/08/04/30/354080430.db2.gz MGAQZWGWTJOOGZ-NEPJUHHUSA-N 2 0 284.404 -0.455 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000419821757 354080562 /nfs/dbraw/zinc/08/05/62/354080562.db2.gz LACNOTOGEROKMO-AGIUHOORSA-N 2 0 294.399 -0.450 20 0 CBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419837546 354082107 /nfs/dbraw/zinc/08/21/07/354082107.db2.gz DCVIHHMPNOTBCD-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000419834658 354082190 /nfs/dbraw/zinc/08/21/90/354082190.db2.gz UEWJPFKWVZQTIC-JHJVBQTASA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC[NH2+]1 ZINC000419836265 354082228 /nfs/dbraw/zinc/08/22/28/354082228.db2.gz VMSPQGRKRBVGKP-YNEHKIRRSA-N 2 0 294.399 -0.450 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419838004 354082556 /nfs/dbraw/zinc/08/25/56/354082556.db2.gz DUSYNTNSJNCURI-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCCC[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000419841791 354082842 /nfs/dbraw/zinc/08/28/42/354082842.db2.gz UTZWGXZYMFPOHA-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCC[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000419839247 354083059 /nfs/dbraw/zinc/08/30/59/354083059.db2.gz QBUYNVNNTKWJDT-GHMZBOCLSA-N 2 0 270.377 -0.702 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000419847866 354085062 /nfs/dbraw/zinc/08/50/62/354085062.db2.gz SKHCQIZZGSCJLB-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419864987 354086094 /nfs/dbraw/zinc/08/60/94/354086094.db2.gz PAMFKYHBGDGZLH-CHWSQXEVSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NCC[N@H+](CC)C(C)C ZINC000419862393 354086170 /nfs/dbraw/zinc/08/61/70/354086170.db2.gz BKEWIDKWUOSPNB-UHFFFAOYSA-N 2 0 272.393 -0.441 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419290430 354044171 /nfs/dbraw/zinc/04/41/71/354044171.db2.gz VNIAZCGFHKZXDX-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419285882 354044368 /nfs/dbraw/zinc/04/43/68/354044368.db2.gz NFVCWQSFTJZGHK-UHFFFAOYSA-N 2 0 272.393 -0.312 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000419315209 354045830 /nfs/dbraw/zinc/04/58/30/354045830.db2.gz JNIVYRHEPYFJTD-NWDGAFQWSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C[N@@H+]1C1CC1 ZINC000419322079 354045875 /nfs/dbraw/zinc/04/58/75/354045875.db2.gz RULDIKWFSRJBCF-IRUJWGPZSA-N 2 0 294.399 -0.419 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000419315455 354045938 /nfs/dbraw/zinc/04/59/38/354045938.db2.gz JWAOFWJGHLCLEH-SRVKXCTJSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000419316670 354046034 /nfs/dbraw/zinc/04/60/34/354046034.db2.gz LOWDFFROQGDGNG-SDDRHHMPSA-N 2 0 294.399 -0.452 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000419336951 354046902 /nfs/dbraw/zinc/04/69/02/354046902.db2.gz QCJIISMOYBNSNX-GMXVVIOVSA-N 2 0 296.415 -0.443 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000419322901 354046908 /nfs/dbraw/zinc/04/69/08/354046908.db2.gz SYTYYAOASWUPIH-WOPDTQHZSA-N 2 0 294.399 -0.404 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000419338386 354046952 /nfs/dbraw/zinc/04/69/52/354046952.db2.gz SJKQQXVSBRGNNX-PWSUYJOCSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419333988 354047177 /nfs/dbraw/zinc/04/71/77/354047177.db2.gz MUSXMJZPCCXYOK-ZYHUDNBSSA-N 2 0 280.372 -0.983 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000419336953 354047477 /nfs/dbraw/zinc/04/74/77/354047477.db2.gz QCJIISMOYBNSNX-LOWVWBTDSA-N 2 0 296.415 -0.443 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1[NH3+] ZINC000419401340 354050700 /nfs/dbraw/zinc/05/07/00/354050700.db2.gz AVJDNEIDQGXSEQ-JHJVBQTASA-N 2 0 296.415 -0.360 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419405971 354051208 /nfs/dbraw/zinc/05/12/08/354051208.db2.gz IGNOZBZRZHWRDK-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000419407256 354051702 /nfs/dbraw/zinc/05/17/02/354051702.db2.gz JYGMARUWOYNXPY-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000419413073 354052296 /nfs/dbraw/zinc/05/22/96/354052296.db2.gz RKUPAMPAUNDKBV-UHFFFAOYSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000419411616 354052403 /nfs/dbraw/zinc/05/24/03/354052403.db2.gz QCMHNKZEZJDWCH-LBPRGKRZSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000419408866 354052729 /nfs/dbraw/zinc/05/27/29/354052729.db2.gz MFUVFCYVMHEBME-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419426223 354053183 /nfs/dbraw/zinc/05/31/83/354053183.db2.gz QLEUKXZRHFWXLK-JHJVBQTASA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCC[NH3+] ZINC000419425255 354053368 /nfs/dbraw/zinc/05/33/68/354053368.db2.gz PBDXXBTYBFXIHS-LLVKDONJSA-N 2 0 270.377 -0.558 20 0 CBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NCCC[NH3+])C1 ZINC000419416442 354053623 /nfs/dbraw/zinc/05/36/23/354053623.db2.gz HFLZFDYADISIOY-BETUJISGSA-N 2 0 298.431 -0.064 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419417250 354053838 /nfs/dbraw/zinc/05/38/38/354053838.db2.gz XCMZCOUHIIJMLQ-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419501824 354056758 /nfs/dbraw/zinc/05/67/58/354056758.db2.gz CDJSCNYDSPKMDG-AVGNSLFASA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419523641 354057159 /nfs/dbraw/zinc/05/71/59/354057159.db2.gz OURGVAIPOPFGDS-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419521225 354057215 /nfs/dbraw/zinc/05/72/15/354057215.db2.gz JOIFGMDZZXTFFX-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CCC[NH2+]C ZINC000419521564 354057535 /nfs/dbraw/zinc/05/75/35/354057535.db2.gz KGGXCIAJOXRXDQ-GFCCVEGCSA-N 2 0 286.420 -0.099 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)C1CC1 ZINC000419522648 354057732 /nfs/dbraw/zinc/05/77/32/354057732.db2.gz MYQUMERBLSMCBD-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419528035 354058103 /nfs/dbraw/zinc/05/81/03/354058103.db2.gz VUDDCPRTFHDCJV-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000419881365 354088861 /nfs/dbraw/zinc/08/88/61/354088861.db2.gz WDZPAEURSVEUNH-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419525588 354058611 /nfs/dbraw/zinc/05/86/11/354058611.db2.gz ROQLLZWITDKZOH-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419524561 354058713 /nfs/dbraw/zinc/05/87/13/354058713.db2.gz QFQDXTIHNAUWMR-CMPLNLGQSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H](C)C[NH3+])C1CC1 ZINC000419524847 354058771 /nfs/dbraw/zinc/05/87/71/354058771.db2.gz QLEYEAOKRGDFHM-SNVBAGLBSA-N 2 0 270.377 -0.702 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419524913 354058795 /nfs/dbraw/zinc/05/87/95/354058795.db2.gz QOOUDQLKLBAORZ-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)CCC[N@@H+]1C ZINC000419540861 354059657 /nfs/dbraw/zinc/05/96/57/354059657.db2.gz CSMVMWOBZNKIRM-UTUOFQBUSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000419540115 354059707 /nfs/dbraw/zinc/05/97/07/354059707.db2.gz BXOJFDOXNDVCDO-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000419544839 354059855 /nfs/dbraw/zinc/05/98/55/354059855.db2.gz LPONRZUBAFPXFV-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000419543214 354060583 /nfs/dbraw/zinc/06/05/83/354060583.db2.gz GAVMAUSIXHUXIL-UTUOFQBUSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C1CC1)C(C)(C)C[NH+](C)C ZINC000419544379 354060636 /nfs/dbraw/zinc/06/06/36/354060636.db2.gz LGBLCEAOHHNIJJ-JQWIXIFHSA-N 2 0 298.431 -0.068 20 0 CBADRP C[C@H]1[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CCC[N@@H+]1C ZINC000419542362 354060641 /nfs/dbraw/zinc/06/06/41/354060641.db2.gz FJPSPHNNGNKUFQ-QJPTWQEYSA-N 2 0 282.388 -0.547 20 0 CBADRP COCC[C@H](C)S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420448479 354129223 /nfs/dbraw/zinc/12/92/23/354129223.db2.gz DYAKVTBYERLZNL-NSHDSACASA-N 2 0 281.422 -0.259 20 0 CBADRP CC(C)CN(C)S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420459996 354129917 /nfs/dbraw/zinc/12/99/17/354129917.db2.gz RPHMWXNIZHRKJP-UHFFFAOYSA-N 2 0 280.438 -0.181 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419892803 354090633 /nfs/dbraw/zinc/09/06/33/354090633.db2.gz UWZZLULNGBVQEY-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419898248 354091565 /nfs/dbraw/zinc/09/15/65/354091565.db2.gz WPMIGBPEEAKIKS-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)[C@@H]2C1 ZINC000419901907 354091590 /nfs/dbraw/zinc/09/15/90/354091590.db2.gz BHSRVGKAWONGHD-YNEHKIRRSA-N 2 0 294.399 -0.593 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000419915231 354093508 /nfs/dbraw/zinc/09/35/08/354093508.db2.gz CXLVEVSNRZCDIX-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000419927453 354094382 /nfs/dbraw/zinc/09/43/82/354094382.db2.gz CSHWODFTCOHOHS-RWMBFGLXSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419939060 354094584 /nfs/dbraw/zinc/09/45/84/354094584.db2.gz QNGQRXRSIGNMDT-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419953554 354096161 /nfs/dbraw/zinc/09/61/61/354096161.db2.gz PVXQWFIHTXCIAN-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])C1 ZINC000419949635 354096726 /nfs/dbraw/zinc/09/67/26/354096726.db2.gz GIJVNCCPRKUUPF-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419958125 354097176 /nfs/dbraw/zinc/09/71/76/354097176.db2.gz PWKHWIODFOGWOT-GFCCVEGCSA-N 2 0 286.420 -0.112 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000419956144 354097251 /nfs/dbraw/zinc/09/72/51/354097251.db2.gz SFLNQPJLEAMTOB-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000419957293 354097606 /nfs/dbraw/zinc/09/76/06/354097606.db2.gz OXSHQNNRAHQCLR-NSHDSACASA-N 2 0 272.393 -0.504 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000419964346 354098259 /nfs/dbraw/zinc/09/82/59/354098259.db2.gz XEVFDVDDEOAKIT-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000419973763 354098977 /nfs/dbraw/zinc/09/89/77/354098977.db2.gz IJEFZKQPHHBIAX-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000419994713 354100939 /nfs/dbraw/zinc/10/09/39/354100939.db2.gz HFIVIJLYIKHDRQ-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000420008115 354101852 /nfs/dbraw/zinc/10/18/52/354101852.db2.gz UBVRIBVVPXZVGA-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000420013760 354102014 /nfs/dbraw/zinc/10/20/14/354102014.db2.gz JLQMFIKPEVTQCO-NSHDSACASA-N 2 0 272.393 -0.504 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000420021215 354102877 /nfs/dbraw/zinc/10/28/77/354102877.db2.gz HFIVIJLYIKHDRQ-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000420021217 354103303 /nfs/dbraw/zinc/10/33/03/354103303.db2.gz HFIVIJLYIKHDRQ-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000420033638 354104208 /nfs/dbraw/zinc/10/42/08/354104208.db2.gz WHGZELUHXIUECA-NSHDSACASA-N 2 0 272.393 -0.360 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420063670 354106137 /nfs/dbraw/zinc/10/61/37/354106137.db2.gz NPKDLZOZJIHUJV-CYBMUJFWSA-N 2 0 298.431 -0.114 20 0 CBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420061661 354106155 /nfs/dbraw/zinc/10/61/55/354106155.db2.gz RYGOBFZRPAJOQS-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420060462 354106261 /nfs/dbraw/zinc/10/62/61/354106261.db2.gz KPEUCVVPQMEHNC-LBPRGKRZSA-N 2 0 296.415 -0.217 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420063329 354106651 /nfs/dbraw/zinc/10/66/51/354106651.db2.gz NDYXPPYZPPCGFA-GFCCVEGCSA-N 2 0 282.388 -0.606 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420069965 354107408 /nfs/dbraw/zinc/10/74/08/354107408.db2.gz WGHYVSWLGUTNME-LBPRGKRZSA-N 2 0 284.404 -0.360 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420069962 354107461 /nfs/dbraw/zinc/10/74/61/354107461.db2.gz WGHYVSWLGUTNME-GFCCVEGCSA-N 2 0 284.404 -0.360 20 0 CBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420089858 354108259 /nfs/dbraw/zinc/10/82/59/354108259.db2.gz KPSHYRBAFQAIRA-UHFFFAOYSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000420108592 354109248 /nfs/dbraw/zinc/10/92/48/354109248.db2.gz CRDTZNZHWKEUOA-DGCLKSJQSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000420176765 354116248 /nfs/dbraw/zinc/11/62/48/354116248.db2.gz XOCHEWGVCLPUFH-AGIUHOORSA-N 2 0 296.415 -0.347 20 0 CBADRP COC(=O)CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420302333 354121495 /nfs/dbraw/zinc/12/14/95/354121495.db2.gz FSVUVHJYJMYAJM-QJPTWQEYSA-N 2 0 283.372 -0.275 20 0 CBADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420302076 354122037 /nfs/dbraw/zinc/12/20/37/354122037.db2.gz WEZVVOZKVGIUFR-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP CCS(=O)(=O)NCCC[N@H+](C)CCC[NH2+]C ZINC000420382481 354126363 /nfs/dbraw/zinc/12/63/63/354126363.db2.gz DOLHWGXDGYPNPS-UHFFFAOYSA-N 2 0 251.396 -0.143 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423235082 354165387 /nfs/dbraw/zinc/16/53/87/354165387.db2.gz GFUSCUOMVQBBLF-GFCCVEGCSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423236954 354165425 /nfs/dbraw/zinc/16/54/25/354165425.db2.gz HQCSABNFAJPSCS-GFCCVEGCSA-N 2 0 298.431 -0.018 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423203916 354165481 /nfs/dbraw/zinc/16/54/81/354165481.db2.gz CVVBXSHLKJBOGJ-UHFFFAOYSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)[NH2+]1 ZINC000423245137 354165928 /nfs/dbraw/zinc/16/59/28/354165928.db2.gz YEHSBFQPQCHQCZ-FRRDWIJNSA-N 2 0 296.415 -0.252 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000423231628 354166061 /nfs/dbraw/zinc/16/60/61/354166061.db2.gz HDAZYLJUDIYLCS-NWDGAFQWSA-N 2 0 282.388 -0.641 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC[NH2+]1 ZINC000423252604 354166967 /nfs/dbraw/zinc/16/69/67/354166967.db2.gz XTXXTRQWPVYKHU-NEPJUHHUSA-N 2 0 282.388 -0.641 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)C[C@H](C)[NH2+]1 ZINC000423247224 354167215 /nfs/dbraw/zinc/16/72/15/354167215.db2.gz QHXIJRDDUFIWAP-XQQFMLRXSA-N 2 0 296.415 -0.252 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCC1 ZINC000423310208 354168468 /nfs/dbraw/zinc/16/84/68/354168468.db2.gz RKRZQCIUTBFEIR-JTQLQIEISA-N 2 0 271.361 -0.133 20 0 CBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423380091 354173574 /nfs/dbraw/zinc/17/35/74/354173574.db2.gz DIVIJBXMXLNCGO-STQMWFEESA-N 2 0 296.415 -0.121 20 0 CBADRP CC[C@@H]1CN(C(=O)C2(C)C[NH2+]C2)CC[N@@H+]1C[C@@H](C)O ZINC000423379209 354173800 /nfs/dbraw/zinc/17/38/00/354173800.db2.gz GKYXGWSYDBLUJA-VXGBXAGGSA-N 2 0 269.389 -0.101 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000423415424 354175757 /nfs/dbraw/zinc/17/57/57/354175757.db2.gz AMVFXYNIZOZUBB-QWHCGFSZSA-N 2 0 294.399 -0.639 20 0 CBADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423412974 354175983 /nfs/dbraw/zinc/17/59/83/354175983.db2.gz JCPZVMLIOCQIGO-UHFFFAOYSA-N 2 0 298.431 -0.001 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)NCCN1CC[NH2+]CC1 ZINC000422747280 354152709 /nfs/dbraw/zinc/15/27/09/354152709.db2.gz PSKLXAIPMAWJNI-UHFFFAOYSA-N 2 0 277.372 -0.217 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423495404 354177448 /nfs/dbraw/zinc/17/74/48/354177448.db2.gz FBYOPSUGQKHEAH-UHFFFAOYSA-N 2 0 298.431 -0.005 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000422965689 354158422 /nfs/dbraw/zinc/15/84/22/354158422.db2.gz PKYDFHZXWOFIPJ-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)C1 ZINC000423054621 354161621 /nfs/dbraw/zinc/16/16/21/354161621.db2.gz BXQABBWMMHSASM-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000423062407 354161859 /nfs/dbraw/zinc/16/18/59/354161859.db2.gz MXCKLMZUTXKVNS-CYBMUJFWSA-N 2 0 298.431 -0.147 20 0 CBADRP C[NH+](C)CCOCC[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000423073208 354162743 /nfs/dbraw/zinc/16/27/43/354162743.db2.gz QYFDYGFBXKARHM-KBPBESRZSA-N 2 0 271.405 -0.079 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@H]1C[NH2+]CCN1C ZINC000423500853 354178806 /nfs/dbraw/zinc/17/88/06/354178806.db2.gz DBCVWDJQUYZWJU-MRVWCRGKSA-N 2 0 252.406 -0.038 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CC[NH2+]1 ZINC000423519877 354179156 /nfs/dbraw/zinc/17/91/56/354179156.db2.gz JOLFCCWNZIHIFB-LLVKDONJSA-N 2 0 282.388 -0.641 20 0 CBADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423627840 354186997 /nfs/dbraw/zinc/18/69/97/354186997.db2.gz VGEXXVQVGOMNQM-OAHLLOKOSA-N 2 0 294.399 -0.638 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)[C@@H](C)C[NH2+]1 ZINC000423645568 354188713 /nfs/dbraw/zinc/18/87/13/354188713.db2.gz YVGAMOYITSBSBM-QWRGUYRKSA-N 2 0 270.377 -0.785 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000423651841 354188816 /nfs/dbraw/zinc/18/88/16/354188816.db2.gz RECLNJMUPIJOOS-DOMZBBRYSA-N 2 0 294.399 -0.639 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000423651842 354189400 /nfs/dbraw/zinc/18/94/00/354189400.db2.gz RECLNJMUPIJOOS-IUODEOHRSA-N 2 0 294.399 -0.639 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1COCCN1CC1CCC1 ZINC000423682130 354191002 /nfs/dbraw/zinc/19/10/02/354191002.db2.gz VRYRDXTWSQNXHZ-BFHYXJOUSA-N 2 0 297.399 -0.816 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000423712305 354192960 /nfs/dbraw/zinc/19/29/60/354192960.db2.gz CXJTUKMVXUOQRB-CHWSQXEVSA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000423716686 354194117 /nfs/dbraw/zinc/19/41/17/354194117.db2.gz IVTVVMHUWAXOKF-QWHCGFSZSA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH3+] ZINC000423732676 354194896 /nfs/dbraw/zinc/19/48/96/354194896.db2.gz ZNTFJCQTIRHADK-GRYCIOLGSA-N 2 0 282.388 -0.655 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC[NH2+]1 ZINC000423731814 354195024 /nfs/dbraw/zinc/19/50/24/354195024.db2.gz YNHMLNVMYLWGMT-RYUDHWBXSA-N 2 0 282.388 -0.641 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C1 ZINC000423729264 354195065 /nfs/dbraw/zinc/19/50/65/354195065.db2.gz UZEBNCUZLCLIOC-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000423738256 354195699 /nfs/dbraw/zinc/19/56/99/354195699.db2.gz DHXJDWMVITZALT-NEPJUHHUSA-N 2 0 273.377 -0.471 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H]1[NH3+] ZINC000423982622 354206007 /nfs/dbraw/zinc/20/60/07/354206007.db2.gz RTSHTXLXHATBSA-WOPDTQHZSA-N 2 0 282.388 -0.798 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H](C[NH3+])C(C)(C)C)CC1=O ZINC000423954383 354206308 /nfs/dbraw/zinc/20/63/08/354206308.db2.gz MVKZEYWKJRNSTI-VXGBXAGGSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000423975578 354206328 /nfs/dbraw/zinc/20/63/28/354206328.db2.gz DPNMJFBCIWYNPY-TUAOUCFPSA-N 2 0 282.388 -0.655 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H]1[NH3+] ZINC000423982621 354206428 /nfs/dbraw/zinc/20/64/28/354206428.db2.gz RTSHTXLXHATBSA-UTUOFQBUSA-N 2 0 282.388 -0.798 20 0 CBADRP CN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[C@@H](C[NH3+])C1CC1 ZINC000423941848 354206459 /nfs/dbraw/zinc/20/64/59/354206459.db2.gz DFBAQGFLJYHSNE-STQMWFEESA-N 2 0 296.415 -0.408 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000423998362 354207396 /nfs/dbraw/zinc/20/73/96/354207396.db2.gz ZKRGZNMZMABUOD-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424057901 354208244 /nfs/dbraw/zinc/20/82/44/354208244.db2.gz KHTBXBNZXGRBOM-VHSXEESVSA-N 2 0 263.345 -0.032 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000424059636 354208265 /nfs/dbraw/zinc/20/82/65/354208265.db2.gz OLOOHZQGWRYQRP-GRYCIOLGSA-N 2 0 280.372 -0.996 20 0 CBADRP [NH3+]C[C@H](NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)C1CC1 ZINC000424084402 354209113 /nfs/dbraw/zinc/20/91/13/354209113.db2.gz YGQLUSZMBYGPKM-QWRGUYRKSA-N 2 0 278.360 -0.330 20 0 CBADRP C[NH2+]CCNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424075283 354209185 /nfs/dbraw/zinc/20/91/85/354209185.db2.gz JEAWKKSBUWXUJI-SECBINFHSA-N 2 0 251.334 -0.174 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000424137827 354210600 /nfs/dbraw/zinc/21/06/00/354210600.db2.gz CNPLCJJKSCQOPL-NWDGAFQWSA-N 2 0 253.346 -0.343 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424140680 354210894 /nfs/dbraw/zinc/21/08/94/354210894.db2.gz SQCFSYJOEAEEQC-UTUOFQBUSA-N 2 0 255.362 -0.193 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424156812 354212090 /nfs/dbraw/zinc/21/20/90/354212090.db2.gz MIBWBHHSHHTDRA-IUCAKERBSA-N 2 0 251.334 -0.046 20 0 CBADRP C[C@H](C[NH3+])NC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424154182 354212252 /nfs/dbraw/zinc/21/22/52/354212252.db2.gz MIBWBHHSHHTDRA-BDAKNGLRSA-N 2 0 251.334 -0.046 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424163716 354213249 /nfs/dbraw/zinc/21/32/49/354213249.db2.gz VRNAMOADSRYMIO-IJLUTSLNSA-N 2 0 292.387 -0.070 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]CCO3)CC[C@@H]21 ZINC000424170268 354213734 /nfs/dbraw/zinc/21/37/34/354213734.db2.gz JBXUQKHZQSYAQT-RWMBFGLXSA-N 2 0 267.373 -0.083 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCN1CC[NH2+]CC1 ZINC000428639179 354247156 /nfs/dbraw/zinc/24/71/56/354247156.db2.gz DTXXWYOFCDNUQT-BETUJISGSA-N 2 0 268.405 -0.119 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)NCC[NH+]1CCCC1 ZINC000430823614 354250587 /nfs/dbraw/zinc/25/05/87/354250587.db2.gz UBYSJCBXAZTMLM-LBPRGKRZSA-N 2 0 255.362 -0.033 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)COC1C[NH2+]C1 ZINC000430681679 354250662 /nfs/dbraw/zinc/25/06/62/354250662.db2.gz FLUVYCFKPZHBPN-LLVKDONJSA-N 2 0 255.362 -0.225 20 0 CBADRP C[C@H](CNC(=O)CCC[NH3+])C[NH+]1CCN(C)CC1 ZINC000431015149 354251555 /nfs/dbraw/zinc/25/15/55/354251555.db2.gz NIWPSUUBLAJHJG-GFCCVEGCSA-N 2 0 256.394 -0.275 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000431032845 354251800 /nfs/dbraw/zinc/25/18/00/354251800.db2.gz FBWGJPMIAHJGCB-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP COCC[C@]1(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC[NH2+]C1 ZINC000431004188 354251810 /nfs/dbraw/zinc/25/18/10/354251810.db2.gz IQJMDNRISQMSRP-UKRRQHHQSA-N 2 0 298.431 -0.635 20 0 CBADRP C[C@H]1C[C@H](NC(=O)COC2C[NH2+]C2)C[N@@H+]1C1CC1 ZINC000431027846 354251895 /nfs/dbraw/zinc/25/18/95/354251895.db2.gz YSNMYMVRMDKEFH-UWVGGRQHSA-N 2 0 253.346 -0.284 20 0 CBADRP COCCOCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436054815 354255916 /nfs/dbraw/zinc/25/59/16/354255916.db2.gz AGBWBEGDLFTJJF-CYBMUJFWSA-N 2 0 287.404 -0.031 20 0 CBADRP CN(CCCO)CC1(C[N@H+](C)CCCO)COC1 ZINC000440943272 354257873 /nfs/dbraw/zinc/25/78/73/354257873.db2.gz HUAKRMFQMPZXAG-UHFFFAOYSA-N 2 0 260.378 -0.369 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424215395 354219001 /nfs/dbraw/zinc/21/90/01/354219001.db2.gz FXOPGUWWSRITMR-FOGDFJRCSA-N 2 0 270.377 -0.528 20 0 CBADRP COCC(C)(C)[NH+]1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000424218852 354219991 /nfs/dbraw/zinc/21/99/91/354219991.db2.gz XKRAMSKRDICQCD-ZDUSSCGKSA-N 2 0 299.415 -0.066 20 0 CBADRP c1cn([C@@H]2CCC[N@@H+](CCN3CC[NH2+]CC3)C2)nn1 ZINC000424329507 354222428 /nfs/dbraw/zinc/22/24/28/354222428.db2.gz GPTDYBXYOQDXED-CYBMUJFWSA-N 2 0 264.377 -0.180 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424473566 354225577 /nfs/dbraw/zinc/22/55/77/354225577.db2.gz GYCRDPKONPUACA-GHMZBOCLSA-N 2 0 258.366 -0.209 20 0 CBADRP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000446364134 354286750 /nfs/dbraw/zinc/28/67/50/354286750.db2.gz QEAOWPMILYLEAZ-FRRDWIJNSA-N 2 0 285.363 -0.133 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446366365 354286911 /nfs/dbraw/zinc/28/69/11/354286911.db2.gz IPYUHSVCSXSBNR-AXFHLTTASA-N 2 0 286.351 -0.858 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000447437101 354298439 /nfs/dbraw/zinc/29/84/39/354298439.db2.gz CCPPSVZQXWURNM-OLZOCXBDSA-N 2 0 286.420 -0.508 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)C[C@H](C[NH3+])OC)CC1 ZINC000447442732 354298674 /nfs/dbraw/zinc/29/86/74/354298674.db2.gz TWVJZCNJZMTINW-CYBMUJFWSA-N 2 0 286.420 -0.506 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)C[C@H](C[NH3+])OC)CC1 ZINC000447437100 354298763 /nfs/dbraw/zinc/29/87/63/354298763.db2.gz CCPPSVZQXWURNM-CHWSQXEVSA-N 2 0 286.420 -0.508 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1c[nH+]ccc1N ZINC000444270229 354267587 /nfs/dbraw/zinc/26/75/87/354267587.db2.gz NUCCKLBOCFWCKN-LLVKDONJSA-N 2 0 277.372 -0.140 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000454427820 354356074 /nfs/dbraw/zinc/35/60/74/354356074.db2.gz GFGSXEKCUPYPAI-QWHCGFSZSA-N 2 0 284.404 -0.090 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000449608055 354321095 /nfs/dbraw/zinc/32/10/95/354321095.db2.gz DQPYNCWADZEJTD-QWRGUYRKSA-N 2 0 270.377 -0.750 20 0 CBADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000449698935 354321388 /nfs/dbraw/zinc/32/13/88/354321388.db2.gz OXCIPSNCACQNJA-AVGNSLFASA-N 2 0 268.405 -0.360 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1=O ZINC000449745575 354321656 /nfs/dbraw/zinc/32/16/56/354321656.db2.gz CDYFRVAUVGSVQZ-AGIUHOORSA-N 2 0 294.399 -0.783 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000449703048 354321789 /nfs/dbraw/zinc/32/17/89/354321789.db2.gz VOMQMMWYFGYWNY-JHJVBQTASA-N 2 0 268.405 -0.121 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000449694600 354321912 /nfs/dbraw/zinc/32/19/12/354321912.db2.gz HESYVUWBMHMJAG-STQMWFEESA-N 2 0 268.405 -0.119 20 0 CBADRP C[C@@H](CNC(=O)NCC[N@@H+]1CCCOCC1)[NH+](C)C ZINC000455004033 354358078 /nfs/dbraw/zinc/35/80/78/354358078.db2.gz OLFMVUGBEWVRMZ-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP C[C@@H]1CN(CCO)CCN1C(=O)NCC[N@H+](C)C1CC1 ZINC000458394998 354376574 /nfs/dbraw/zinc/37/65/74/354376574.db2.gz VOGBEXPXTUMPNO-GFCCVEGCSA-N 2 0 284.404 -0.211 20 0 CBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000479291682 354407087 /nfs/dbraw/zinc/40/70/87/354407087.db2.gz ZIYYYVWMOKTMAR-JHJVBQTASA-N 2 0 269.389 -0.101 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000494891899 354496192 /nfs/dbraw/zinc/49/61/92/354496192.db2.gz RDEOAOKZUYTGMJ-ZIAGYGMSSA-N 2 0 280.416 -0.166 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000515402581 354555727 /nfs/dbraw/zinc/55/57/27/354555727.db2.gz FHIXNQINZWIJQH-YJQGPUDQSA-N 2 0 250.346 -0.260 20 0 CBADRP C[NH2+]CC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000514857767 354555859 /nfs/dbraw/zinc/55/58/59/354555859.db2.gz HUJOCHLSDFZKAZ-JTQLQIEISA-N 2 0 256.350 -0.948 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000515058409 354556159 /nfs/dbraw/zinc/55/61/59/354556159.db2.gz RTYUHYRFUAFCIB-RWMBFGLXSA-N 2 0 266.389 -0.510 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000518768576 354559972 /nfs/dbraw/zinc/55/99/72/354559972.db2.gz RGGDGPGOMZIUJS-UTUOFQBUSA-N 2 0 282.388 -0.499 20 0 CBADRP C[N@@H+]1CCC[C@@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000519543819 354562423 /nfs/dbraw/zinc/56/24/23/354562423.db2.gz NFVMNULNTQGVJG-QWHCGFSZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000529308283 354583392 /nfs/dbraw/zinc/58/33/92/354583392.db2.gz DTYYGTXDCQIXSE-LLVKDONJSA-N 2 0 270.377 -0.112 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC000529311276 354583504 /nfs/dbraw/zinc/58/35/04/354583504.db2.gz DHORVBCPQDZFGQ-GRYCIOLGSA-N 2 0 270.377 -0.243 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC000529311279 354584009 /nfs/dbraw/zinc/58/40/09/354584009.db2.gz DHORVBCPQDZFGQ-WOPDTQHZSA-N 2 0 270.377 -0.243 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529320580 354584808 /nfs/dbraw/zinc/58/48/08/354584808.db2.gz YNEUFSYVELSWBW-WZRBSPASSA-N 2 0 282.388 -0.243 20 0 CBADRP CC[C@@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)CC[C@H]1[NH3+] ZINC000529390190 354585459 /nfs/dbraw/zinc/58/54/59/354585459.db2.gz TVAHWYDEYBJCBT-IJLUTSLNSA-N 2 0 270.377 -0.256 20 0 CBADRP [NH3+]CC[C@H]1CCCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529390768 354585598 /nfs/dbraw/zinc/58/55/98/354585598.db2.gz VWLGJUQLJFGCBG-VXGBXAGGSA-N 2 0 270.377 -0.255 20 0 CBADRP [NH3+]C[C@H]1CCCCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529391098 354585936 /nfs/dbraw/zinc/58/59/36/354585936.db2.gz XVEHKNBIHFCKNS-GHMZBOCLSA-N 2 0 256.350 -0.502 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[NH+]1CCCC1 ZINC000534268706 354596455 /nfs/dbraw/zinc/59/64/55/354596455.db2.gz UJRIBIUTYPJBIJ-KBPBESRZSA-N 2 0 280.416 -0.023 20 0 CBADRP C[N@H+](CCNC(=O)NC[C@]1(O)CC[NH+](C)C1)C1CC1 ZINC000545176369 354643803 /nfs/dbraw/zinc/64/38/03/354643803.db2.gz CYOJVKDUFSQFJO-CYBMUJFWSA-N 2 0 270.377 -0.554 20 0 CBADRP C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000537599267 354611098 /nfs/dbraw/zinc/61/10/98/354611098.db2.gz LRURAAHKWWWLND-GFCCVEGCSA-N 2 0 269.389 -0.147 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000430695276 283041927 /nfs/dbraw/zinc/04/19/27/283041927.db2.gz MPAKNIYRVWKMMR-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@@H]1O ZINC000556973735 354684592 /nfs/dbraw/zinc/68/45/92/354684592.db2.gz SMXXCSHBHZWGLK-IHRRRGAJSA-N 2 0 281.400 -0.006 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000557205855 354685145 /nfs/dbraw/zinc/68/51/45/354685145.db2.gz HOCYDXCJDXNOBS-LLVKDONJSA-N 2 0 285.392 -0.765 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000557242092 354686171 /nfs/dbraw/zinc/68/61/71/354686171.db2.gz ZWVRGSMTOWWWKY-KBPBESRZSA-N 2 0 297.447 -0.127 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000562795070 354688429 /nfs/dbraw/zinc/68/84/29/354688429.db2.gz YXILZUNAFIYZAA-IGQOVBAYSA-N 2 0 296.415 -0.140 20 0 CBADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000562827633 354689103 /nfs/dbraw/zinc/68/91/03/354689103.db2.gz MAACKFPJQLDXJJ-UHFFFAOYSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000562962244 354689832 /nfs/dbraw/zinc/68/98/32/354689832.db2.gz WJUVOUTZONGAKK-QWHCGFSZSA-N 2 0 294.399 -0.497 20 0 CBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000562957623 354690040 /nfs/dbraw/zinc/69/00/40/354690040.db2.gz LIUZTNRKDRAIAO-GFCCVEGCSA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000563074823 354694564 /nfs/dbraw/zinc/69/45/64/354694564.db2.gz QTCLVGBUGZAEIA-AAEUAGOBSA-N 2 0 268.405 -0.134 20 0 CBADRP CO[C@H](C[NH3+])C(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000563107607 354696951 /nfs/dbraw/zinc/69/69/51/354696951.db2.gz RUYJQDYWBWSUTQ-SNVBAGLBSA-N 2 0 290.327 -0.157 20 0 CBADRP C[N@H+](C[C@@H](O)CNC[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000563137263 354698475 /nfs/dbraw/zinc/69/84/75/354698475.db2.gz COLMGTXCXCXZCM-LSDHHAIUSA-N 2 0 285.432 -0.122 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CCCC[C@H]2O)CC1 ZINC000563142875 354699085 /nfs/dbraw/zinc/69/90/85/354699085.db2.gz QEQIITURSJJDOS-SOUVJXGZSA-N 2 0 285.432 -0.265 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC1CC[NH2+]CC1 ZINC000563146027 354699174 /nfs/dbraw/zinc/69/91/74/354699174.db2.gz IYPFXPOAWJAJSB-LBPRGKRZSA-N 2 0 270.377 -0.798 20 0 CBADRP O=C1CNC(=O)N1CC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000563154628 354699667 /nfs/dbraw/zinc/69/96/67/354699667.db2.gz RKBOZVRUBVOKSS-NWDGAFQWSA-N 2 0 280.372 -0.140 20 0 CBADRP O=C(CCN1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CC[NH2+]CC1 ZINC000563150015 354699906 /nfs/dbraw/zinc/69/99/06/354699906.db2.gz SYUMLXOSPCEQAK-STQMWFEESA-N 2 0 266.389 -0.508 20 0 CBADRP C[NH2+]C[C@H]1CCN(CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000563216249 354702937 /nfs/dbraw/zinc/70/29/37/354702937.db2.gz UQRGJZGKJZKCBX-GFCCVEGCSA-N 2 0 279.388 -0.080 20 0 CBADRP C[NH2+]CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000563799320 354705438 /nfs/dbraw/zinc/70/54/38/354705438.db2.gz RGDGHVDJQJAXJO-UHFFFAOYSA-N 3 0 259.398 -0.659 20 0 CBADRP C[C@@]1(F)C[NH2+]CCN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000564453411 354712872 /nfs/dbraw/zinc/71/28/72/354712872.db2.gz NFOTXZIWXKNCOP-GXTWGEPZSA-N 2 0 286.395 -0.183 20 0 CBADRP C[C@H](C[NH3+])NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000564656271 354714772 /nfs/dbraw/zinc/71/47/72/354714772.db2.gz RQOYKEKXXUEOHQ-KOLCDFICSA-N 2 0 251.334 -0.115 20 0 CBADRP C[C@H](NCC(=O)N1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000564822632 354717355 /nfs/dbraw/zinc/71/73/55/354717355.db2.gz OVIIFZCJBCPBMO-RYUDHWBXSA-N 2 0 254.378 -0.462 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000564798908 354717415 /nfs/dbraw/zinc/71/74/15/354717415.db2.gz AANAKAMOGZWTLE-VHSXEESVSA-N 2 0 270.377 -0.561 20 0 CBADRP CC(C)(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CC[NH2+]CC1 ZINC000564932916 354721436 /nfs/dbraw/zinc/72/14/36/354721436.db2.gz AHFZJXZUFPVUFL-CHWSQXEVSA-N 2 0 280.416 -0.262 20 0 CBADRP C[NH2+][C@H](C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1cnn(C)c1 ZINC000564931285 354721450 /nfs/dbraw/zinc/72/14/50/354721450.db2.gz HACAPFICXHPZKP-SQNXGDPESA-N 2 0 277.372 -0.124 20 0 CBADRP CC[NH2+]CCCNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000564947615 354721691 /nfs/dbraw/zinc/72/16/91/354721691.db2.gz SXMUJSPVBGXLCF-UHFFFAOYSA-N 2 0 268.365 -0.254 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000564969463 354722732 /nfs/dbraw/zinc/72/27/32/354722732.db2.gz XUSUXRPVRRQZHQ-QWHCGFSZSA-N 3 0 268.405 -0.227 20 0 CBADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC2C[NH2+]C2)cc1 ZINC000564958604 354722972 /nfs/dbraw/zinc/72/29/72/354722972.db2.gz XGHGMHRCAOLVAC-UHFFFAOYSA-N 2 0 269.370 -0.002 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564957225 354722995 /nfs/dbraw/zinc/72/29/95/354722995.db2.gz GOCPVHSXOWMRTQ-ZJUUUORDSA-N 2 0 256.350 -0.902 20 0 CBADRP COC[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000564988641 354724711 /nfs/dbraw/zinc/72/47/11/354724711.db2.gz KQDYJCKYGLVODN-STQMWFEESA-N 2 0 285.388 -0.456 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000564993558 354725025 /nfs/dbraw/zinc/72/50/25/354725025.db2.gz DHJHWYCZLYLDBP-BETUJISGSA-N 2 0 268.405 -0.180 20 0 CBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000564994545 354725351 /nfs/dbraw/zinc/72/53/51/354725351.db2.gz CKTFZNBGTGSSQP-GHMZBOCLSA-N 2 0 282.388 -0.499 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000565040795 354726574 /nfs/dbraw/zinc/72/65/74/354726574.db2.gz XVWFWDALVORDQE-QWHCGFSZSA-N 2 0 296.415 -0.297 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)NCCC[NH3+])CC1 ZINC000565098612 354728464 /nfs/dbraw/zinc/72/84/64/354728464.db2.gz IKYYPFONXFYHMU-UHFFFAOYSA-N 2 0 258.366 -0.255 20 0 CBADRP [NH3+]CC12CCC(CC1)CN2C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000565149657 354729009 /nfs/dbraw/zinc/72/90/09/354729009.db2.gz XQDNCJDLMRMKIE-AVERBVTBSA-N 2 0 294.399 -0.416 20 0 CBADRP C[C@@H]1CN(C[C@H](O)C[NH2+]C[C@@H](O)C2CC2)C[C@H](C)O1 ZINC000565775416 354745420 /nfs/dbraw/zinc/74/54/20/354745420.db2.gz RSVFCXDDHRDVGN-ZMJPVWNMSA-N 2 0 272.389 -0.183 20 0 CBADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000565763851 354745728 /nfs/dbraw/zinc/74/57/28/354745728.db2.gz FHYIBIPOVWNONK-RYUDHWBXSA-N 2 0 296.415 -0.441 20 0 CBADRP C[NH+](C)CCOCCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000565831814 354746431 /nfs/dbraw/zinc/74/64/31/354746431.db2.gz HFTWEVWUROKCHQ-NSHDSACASA-N 2 0 295.387 -0.205 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000565930931 354748509 /nfs/dbraw/zinc/74/85/09/354748509.db2.gz ZXGXOLUJJDKILU-HUUCEWRRSA-N 2 0 285.432 -0.047 20 0 CBADRP CN1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)[C@H](C[NH3+])C1 ZINC000565948712 354748816 /nfs/dbraw/zinc/74/88/16/354748816.db2.gz HHVUAAZQAATVMB-CMPLNLGQSA-N 2 0 280.372 -0.901 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000566068823 354751653 /nfs/dbraw/zinc/75/16/53/354751653.db2.gz FLLKKEGEAQFACA-RWMBFGLXSA-N 2 0 294.399 -0.606 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)CC1(C[NH3+])CC1 ZINC000566102216 354752631 /nfs/dbraw/zinc/75/26/31/354752631.db2.gz XBUIMHSTDZQLOE-GFCCVEGCSA-N 2 0 296.415 -0.039 20 0 CBADRP COCC[C@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000566109974 354753291 /nfs/dbraw/zinc/75/32/91/354753291.db2.gz VNVYPFGBXKUXMZ-STQMWFEESA-N 2 0 259.394 -0.391 20 0 CBADRP CCOC[C@H](O)C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000566117634 354753345 /nfs/dbraw/zinc/75/33/45/354753345.db2.gz PFIAIQIZPGGZKC-ZIAGYGMSSA-N 2 0 273.421 -0.143 20 0 CBADRP CC1CC[NH+](C[C@H](O)CNC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000566180095 354755444 /nfs/dbraw/zinc/75/54/44/354755444.db2.gz SAWLGMMKJXSQJQ-KGLIPLIRSA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000566192611 354756078 /nfs/dbraw/zinc/75/60/78/354756078.db2.gz OXHOWYHZCBPTQV-SDDRHHMPSA-N 2 0 299.419 -0.249 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000566206587 354757616 /nfs/dbraw/zinc/75/76/16/354757616.db2.gz RDCCAELQKYIKQB-ZJUUUORDSA-N 2 0 263.345 -0.032 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000566246861 354759805 /nfs/dbraw/zinc/75/98/05/354759805.db2.gz JBIJLWMCRFVFOR-BXKDBHETSA-N 2 0 259.350 -0.244 20 0 CBADRP [NH3+]CC[C@H]1CCCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000566251208 354759823 /nfs/dbraw/zinc/75/98/23/354759823.db2.gz KSSWYQPGBCAQSF-VXGBXAGGSA-N 2 0 282.388 -0.416 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566252560 354760740 /nfs/dbraw/zinc/76/07/40/354760740.db2.gz BLLZOJJMMZBANO-GXTWGEPZSA-N 2 0 267.373 -0.033 20 0 CBADRP CC[C@]1(C(=O)N2CCC(O)(C[NH3+])CC2)CCC[NH2+]1 ZINC000566258924 354760947 /nfs/dbraw/zinc/76/09/47/354760947.db2.gz HYWWBAHRYOFOJN-CYBMUJFWSA-N 2 0 255.362 -0.169 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000566287171 354761438 /nfs/dbraw/zinc/76/14/38/354761438.db2.gz YXBWTOHSYQYIGE-ZJUUUORDSA-N 2 0 257.334 -0.665 20 0 CBADRP CC(C)[C@H](C(=O)NCC(=O)N1CC[NH2+]CC1)[NH+](C)C ZINC000566289298 354761649 /nfs/dbraw/zinc/76/16/49/354761649.db2.gz VFMGXQDCBVGTEE-GFCCVEGCSA-N 2 0 270.377 -0.879 20 0 CBADRP C[NH+](C)[C@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)C[C@@H]1O ZINC000566426185 354766711 /nfs/dbraw/zinc/76/67/11/354766711.db2.gz PEZJSGXWHVLSCV-AGIUHOORSA-N 2 0 257.378 -0.952 20 0 CBADRP O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000566511275 354769508 /nfs/dbraw/zinc/76/95/08/354769508.db2.gz NZJUJNQEFRKMIU-LBPRGKRZSA-N 2 0 294.399 -0.545 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000566556603 354770991 /nfs/dbraw/zinc/77/09/91/354770991.db2.gz JUYCSHYUAOZWQH-FIQHERPVSA-N 2 0 253.346 -0.426 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])nn1 ZINC000566748483 354774510 /nfs/dbraw/zinc/77/45/10/354774510.db2.gz KXUAMBMHMYUXGY-UWVGGRQHSA-N 2 0 266.349 -0.516 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000566864346 354776224 /nfs/dbraw/zinc/77/62/24/354776224.db2.gz BTIOMUWWSRAWTE-UWVGGRQHSA-N 2 0 268.361 -0.937 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000567262422 354784263 /nfs/dbraw/zinc/78/42/63/354784263.db2.gz OAOXPKWFCHJEGB-HUUCEWRRSA-N 2 0 286.464 -0.085 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000567267592 354785046 /nfs/dbraw/zinc/78/50/46/354785046.db2.gz FPZFXWUQAHHBHM-NWDGAFQWSA-N 2 0 282.388 -0.573 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000567267591 354785109 /nfs/dbraw/zinc/78/51/09/354785109.db2.gz FPZFXWUQAHHBHM-NEPJUHHUSA-N 2 0 282.388 -0.573 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000567653476 354792489 /nfs/dbraw/zinc/79/24/89/354792489.db2.gz CRDKZPBMRBHMDY-NSHDSACASA-N 2 0 270.377 -0.783 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000567501487 354789601 /nfs/dbraw/zinc/78/96/01/354789601.db2.gz WSBKOSYYBXGSJU-WDEREUQCSA-N 2 0 293.371 -0.405 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000565255158 354734633 /nfs/dbraw/zinc/73/46/33/354734633.db2.gz QNNPESJLXSJMKZ-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP [NH3+]CC[C@H]1CCCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000565302720 354735612 /nfs/dbraw/zinc/73/56/12/354735612.db2.gz NHYQZVJOHWHOPW-LLVKDONJSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC[NH+]1CCCCC1 ZINC000565596948 354741232 /nfs/dbraw/zinc/74/12/32/354741232.db2.gz PIFBBOLUHPDSBB-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000567807338 354798295 /nfs/dbraw/zinc/79/82/95/354798295.db2.gz AYJKWTRJLGWPLJ-JOYOIKCWSA-N 2 0 289.401 -0.570 20 0 CBADRP C[C@@H](NC(=O)CCC[NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000567823953 354799015 /nfs/dbraw/zinc/79/90/15/354799015.db2.gz XQQAKUPXQYTXRD-GFCCVEGCSA-N 2 0 284.404 -0.168 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000567834685 354799805 /nfs/dbraw/zinc/79/98/05/354799805.db2.gz XIIISVDXQWBPSC-RYUDHWBXSA-N 2 0 284.404 -0.327 20 0 CBADRP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000567825264 354799987 /nfs/dbraw/zinc/79/99/87/354799987.db2.gz GQSMQONQWPKMCT-GFCCVEGCSA-N 2 0 255.362 -0.176 20 0 CBADRP CN1CCN(C(=O)CC[N@@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000567889712 354803582 /nfs/dbraw/zinc/80/35/82/354803582.db2.gz LZMOKDREFHEORF-AWEZNQCLSA-N 2 0 268.405 -0.179 20 0 CBADRP C[NH2+]CCCN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000567900144 354804370 /nfs/dbraw/zinc/80/43/70/354804370.db2.gz SUONXUCEEYCKQR-LBPRGKRZSA-N 2 0 256.394 -0.085 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000567898885 354804528 /nfs/dbraw/zinc/80/45/28/354804528.db2.gz DXMZJYOLAXSGFX-NSHDSACASA-N 2 0 265.361 -0.185 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000568181500 354814453 /nfs/dbraw/zinc/81/44/53/354814453.db2.gz VCTWAMRVPOSFPQ-RRFJBIMHSA-N 2 0 285.432 -0.049 20 0 CBADRP [NH3+]CC1(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CCCC1 ZINC000568264938 354818958 /nfs/dbraw/zinc/81/89/58/354818958.db2.gz HRNQAPPRKPLROB-WDEREUQCSA-N 2 0 280.372 -0.724 20 0 CBADRP CC[NH+](CC)CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000568286792 354820603 /nfs/dbraw/zinc/82/06/03/354820603.db2.gz GQVGDFFVSJWNGM-VXGBXAGGSA-N 2 0 297.403 -0.718 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000568296068 354821321 /nfs/dbraw/zinc/82/13/21/354821321.db2.gz YICVVANITBOGQS-IJLUTSLNSA-N 2 0 295.387 -0.966 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000568871554 354833881 /nfs/dbraw/zinc/83/38/81/354833881.db2.gz UEXJOYHDEHHGRV-NOOOWODRSA-N 2 0 253.346 -0.284 20 0 CBADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000568371584 354822643 /nfs/dbraw/zinc/82/26/43/354822643.db2.gz LGEQQXOPYWJGAU-NEPJUHHUSA-N 2 0 297.403 -0.765 20 0 CBADRP C[NH2+]C[C@](C)(O)CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000568401157 354823444 /nfs/dbraw/zinc/82/34/44/354823444.db2.gz FLBQUAMWIGKDPO-HNNXBMFYSA-N 2 0 298.431 -0.803 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000568511996 354825003 /nfs/dbraw/zinc/82/50/03/354825003.db2.gz FVWICBWSWJWUHU-DCAQKATOSA-N 2 0 271.361 -0.005 20 0 CBADRP C[NH2+][C@H](C(=O)N1CCC[C@H]([NH2+]C)C1)c1cnn(C)c1 ZINC000568508768 354825120 /nfs/dbraw/zinc/82/51/20/354825120.db2.gz PPCWIMRSOLKTIH-RYUDHWBXSA-N 2 0 265.361 -0.109 20 0 CBADRP COC[C@@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000568619423 354827457 /nfs/dbraw/zinc/82/74/57/354827457.db2.gz BWXZTYXXRJJXRS-BFHYXJOUSA-N 2 0 272.389 -0.039 20 0 CBADRP [NH3+]C[C@@H](NC(=O)C[C@@H]1COCC[NH2+]1)C1CCCC1 ZINC000568620393 354827671 /nfs/dbraw/zinc/82/76/71/354827671.db2.gz YUXCCLCMFCKUNJ-VXGBXAGGSA-N 2 0 255.362 -0.001 20 0 CBADRP COC(=O)[C@H]1C[C@@H]([NH2+]C[C@@H](O)CN(C)C2CC2)C1 ZINC000568741442 354830622 /nfs/dbraw/zinc/83/06/22/354830622.db2.gz VAIBSKGEAUEWOX-JFGNBEQYSA-N 2 0 256.346 -0.017 20 0 CBADRP COC(=O)[C@H]1C[C@@H]([NH2+]C[C@H](O)CN(C)C2CC2)C1 ZINC000568741445 354831129 /nfs/dbraw/zinc/83/11/29/354831129.db2.gz VAIBSKGEAUEWOX-UMNHJUIQSA-N 2 0 256.346 -0.017 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000567670422 354793743 /nfs/dbraw/zinc/79/37/43/354793743.db2.gz KOJIRFLWMHSRDY-CMPLNLGQSA-N 2 0 253.346 -0.425 20 0 CBADRP C[C@H]([NH2+]C[C@H](O)CN1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000567711017 354794280 /nfs/dbraw/zinc/79/42/80/354794280.db2.gz XNYPIWFSLKGQPA-ZFWWWQNUSA-N 2 0 283.416 -0.081 20 0 CBADRP C[N@H+](C[C@@H](O)CNCCNC(=O)c1ccn[nH]1)C1CC1 ZINC000567710810 354794664 /nfs/dbraw/zinc/79/46/64/354794664.db2.gz SMSCGULXWLRYKY-NSHDSACASA-N 2 0 281.360 -0.816 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1C[NH2+]CCO1 ZINC000567725775 354795344 /nfs/dbraw/zinc/79/53/44/354795344.db2.gz JVCJUZOJNKITDD-NXEZZACHSA-N 2 0 259.375 -0.814 20 0 CBADRP C[NH2+]CCCC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000570680327 354866954 /nfs/dbraw/zinc/86/69/54/354866954.db2.gz RNTLBXFDMLCNAP-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP C[C@H]([NH3+])C1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000568884666 354835251 /nfs/dbraw/zinc/83/52/51/354835251.db2.gz UHMBAODJJNPYCG-LBPRGKRZSA-N 3 0 268.405 -0.133 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000571676071 354878089 /nfs/dbraw/zinc/87/80/89/354878089.db2.gz PDIIJXZMFBFUBB-NWDGAFQWSA-N 2 0 285.388 -0.410 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(CC[NH3+])nn2)C1 ZINC000571778477 354879912 /nfs/dbraw/zinc/87/99/12/354879912.db2.gz LBJSBZXKNYVRHB-AAEUAGOBSA-N 2 0 292.387 -0.207 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000569205150 354840232 /nfs/dbraw/zinc/84/02/32/354840232.db2.gz KJORMJSJXHAWCK-LLVKDONJSA-N 2 0 272.393 -0.504 20 0 CBADRP COC(=O)C(C)(C)CCN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000569260944 354841839 /nfs/dbraw/zinc/84/18/39/354841839.db2.gz WWYLVFANUYPUFK-WDEREUQCSA-N 2 0 283.372 -0.181 20 0 CBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)CC[NH3+])c1 ZINC000569694139 354844115 /nfs/dbraw/zinc/84/41/15/354844115.db2.gz KTSDKJQLLJDSKI-UHFFFAOYSA-N 2 0 286.357 -0.789 20 0 CBADRP C[C@H]1CCCN(C(=O)CCOC2C[NH2+]C2)[C@@H]1C[NH3+] ZINC000349026737 290424985 /nfs/dbraw/zinc/42/49/85/290424985.db2.gz KSKPWLHJHRGCGS-CMPLNLGQSA-N 2 0 255.362 -0.049 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000569844848 354848285 /nfs/dbraw/zinc/84/82/85/354848285.db2.gz BVAFHRZNSLBNNL-CHWSQXEVSA-N 2 0 296.415 -0.003 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC[C@@H]1CC[NH2+]C1 ZINC000569925812 354849515 /nfs/dbraw/zinc/84/95/15/354849515.db2.gz XXTQTMQMIKZSAR-NWDGAFQWSA-N 2 0 282.388 -0.640 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000571762756 354878732 /nfs/dbraw/zinc/87/87/32/354878732.db2.gz KUBREEMTWORYFJ-STQMWFEESA-N 3 0 268.405 -0.227 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000570106277 354855061 /nfs/dbraw/zinc/85/50/61/354855061.db2.gz BERGDUCHXMNPJL-NWDGAFQWSA-N 2 0 280.372 -0.839 20 0 CBADRP CC(C)NC(=O)CN(C)CC(=O)NC[C@H](C)C[NH3+] ZINC000570161397 354855384 /nfs/dbraw/zinc/85/53/84/354855384.db2.gz LMOCPPNXLYLECP-SNVBAGLBSA-N 2 0 258.366 -0.846 20 0 CBADRP CN(C)C(=O)[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCN1 ZINC000570332975 354859633 /nfs/dbraw/zinc/85/96/33/354859633.db2.gz FUJAZFANRMJHGV-LBPRGKRZSA-N 2 0 254.378 -0.652 20 0 CBADRP C[NH2+]CCCN(C)C(=O)[C@H]([NH2+]C)c1cnn(C)c1 ZINC000570330987 354859683 /nfs/dbraw/zinc/85/96/83/354859683.db2.gz UAXBSIZAVJASOS-LLVKDONJSA-N 2 0 253.350 -0.252 20 0 CBADRP [NH3+]C[C@@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000570449511 354862248 /nfs/dbraw/zinc/86/22/48/354862248.db2.gz JANRQGYFYXXHAX-VXGBXAGGSA-N 2 0 282.388 -0.512 20 0 CBADRP CNS(=O)(=O)[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000570632619 354865629 /nfs/dbraw/zinc/86/56/29/354865629.db2.gz UXKPXZDDUZMSFU-LBPRGKRZSA-N 2 0 275.418 0.000 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000570631383 354865992 /nfs/dbraw/zinc/86/59/92/354865992.db2.gz UXMVXCPTDQTGHB-GHMZBOCLSA-N 2 0 268.361 -0.935 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000572112229 354886148 /nfs/dbraw/zinc/88/61/48/354886148.db2.gz WJUVOUTZONGAKK-OLZOCXBDSA-N 2 0 294.399 -0.497 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000572117710 354886389 /nfs/dbraw/zinc/88/63/89/354886389.db2.gz LDILYSHPMWWDGC-AVGNSLFASA-N 2 0 296.415 -0.170 20 0 CBADRP CN1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)[C@@H](C[NH3+])C1 ZINC000572134355 354887086 /nfs/dbraw/zinc/88/70/86/354887086.db2.gz HCCZGQYZFGFYDZ-RYUDHWBXSA-N 2 0 269.393 -0.635 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000572164213 354888041 /nfs/dbraw/zinc/88/80/41/354888041.db2.gz VKOSDBDIBMXQFJ-SCRDCRAPSA-N 2 0 266.389 -0.510 20 0 CBADRP COC(=O)CCNC(=O)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000572159383 354888259 /nfs/dbraw/zinc/88/82/59/354888259.db2.gz JUWVYTIZJUDBOF-CYBMUJFWSA-N 2 0 269.345 -0.649 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](C[C@H](C)O)C[C@H]1C ZINC000572254789 354889065 /nfs/dbraw/zinc/88/90/65/354889065.db2.gz ZGKSXKMKRCQTNS-RDBSUJKOSA-N 2 0 273.421 -0.314 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000572252791 354889127 /nfs/dbraw/zinc/88/91/27/354889127.db2.gz UXZRMCDJWNXHET-CQSZACIVSA-N 2 0 299.415 -0.018 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC(C[NH3+])CC1 ZINC000572243453 354889689 /nfs/dbraw/zinc/88/96/89/354889689.db2.gz ZGARNYLPNFRNGP-LBPRGKRZSA-N 2 0 270.377 -0.717 20 0 CBADRP C[NH2+][C@@H](C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000572256529 354890413 /nfs/dbraw/zinc/89/04/13/354890413.db2.gz OORQZQFBOBPFLI-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](NC(=O)CCCC[NH+](C)C)C(=O)NCC[NH+](C)C ZINC000572496761 354892337 /nfs/dbraw/zinc/89/23/37/354892337.db2.gz VXAXPBFTIVQPBR-LBPRGKRZSA-N 2 0 286.420 -0.099 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)N(C)CCC[NH3+] ZINC000572824795 354898794 /nfs/dbraw/zinc/89/87/94/354898794.db2.gz XAGRMLNFVHBKAO-UHFFFAOYSA-N 2 0 260.382 -0.055 20 0 CBADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@]34C[C@H]3CC[NH2+]4)[C@@H]2C1 ZINC000572869822 354899707 /nfs/dbraw/zinc/89/97/07/354899707.db2.gz RYSOGESUJZRILB-NMKXLXIOSA-N 2 0 265.357 -0.330 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CCOC3C[NH2+]C3)C[C@@H]21 ZINC000572991963 354903183 /nfs/dbraw/zinc/90/31/83/354903183.db2.gz IDDDHAWZEQDLMS-KGYLQXTDSA-N 2 0 267.373 -0.049 20 0 CBADRP O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000573075193 354904184 /nfs/dbraw/zinc/90/41/84/354904184.db2.gz NDOFPTVPUAOSIZ-OLZOCXBDSA-N 2 0 294.399 -0.449 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)CCCO1 ZINC000573119333 354905928 /nfs/dbraw/zinc/90/59/28/354905928.db2.gz OILDNEXSXPVGBM-NWDGAFQWSA-N 2 0 271.361 -0.669 20 0 CBADRP CC(C)NC(=O)CN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000573248025 354908882 /nfs/dbraw/zinc/90/88/82/354908882.db2.gz ZHQZTRTXABAJEQ-ZJUUUORDSA-N 2 0 258.366 -0.705 20 0 CBADRP CC(C)NC(=O)CN(C)CC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000573248022 354909278 /nfs/dbraw/zinc/90/92/78/354909278.db2.gz ZHQZTRTXABAJEQ-NXEZZACHSA-N 2 0 258.366 -0.705 20 0 CBADRP COC[C@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC000573308493 354910199 /nfs/dbraw/zinc/91/01/99/354910199.db2.gz OEGWGUDTRYNUEX-SCRDCRAPSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000573340013 354911049 /nfs/dbraw/zinc/91/10/49/354911049.db2.gz DBIKRYWUOUIEMZ-XQQFMLRXSA-N 2 0 294.399 -0.450 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CC12CC[NH2+]CC2 ZINC000573368870 354911054 /nfs/dbraw/zinc/91/10/54/354911054.db2.gz ZMLXSQQDFADTMG-NEPJUHHUSA-N 2 0 267.373 -0.129 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CC1(C[NH3+])CC1 ZINC000573362541 354911421 /nfs/dbraw/zinc/91/14/21/354911421.db2.gz HPDONYYMWOQKLP-NSHDSACASA-N 2 0 254.378 -0.523 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000573564740 354915021 /nfs/dbraw/zinc/91/50/21/354915021.db2.gz NAOZQLPBYJAAGI-AWEZNQCLSA-N 2 0 297.447 -0.789 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000571778655 354879970 /nfs/dbraw/zinc/87/99/70/354879970.db2.gz PTTKCVVWCHWARS-NEPJUHHUSA-N 2 0 282.388 -0.687 20 0 CBADRP CCCCNC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000571821124 354880977 /nfs/dbraw/zinc/88/09/77/354880977.db2.gz KDMDQUBJXBHLSD-GHMZBOCLSA-N 2 0 268.361 -0.854 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000573699225 354919531 /nfs/dbraw/zinc/91/95/31/354919531.db2.gz FEPJYHOUDJZYOY-CSYMLDBXSA-N 2 0 255.362 -0.005 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000573801268 354921646 /nfs/dbraw/zinc/92/16/46/354921646.db2.gz XCDOUHMLBUXHEU-YFKTTZPYSA-N 2 0 283.372 -0.147 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000573962482 354924856 /nfs/dbraw/zinc/92/48/56/354924856.db2.gz BHPCFKAIZBXRJJ-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)[C@H]2C1 ZINC000331515037 283062814 /nfs/dbraw/zinc/06/28/14/283062814.db2.gz MBOLVYSJCGFOCI-UPJWGTAASA-N 2 0 294.399 -0.593 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)[C@H]2C1 ZINC000331995312 283062827 /nfs/dbraw/zinc/06/28/27/283062827.db2.gz BHSRVGKAWONGHD-AGIUHOORSA-N 2 0 294.399 -0.593 20 0 CBADRP O=C(NC1C[NH2+]C1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000574181175 354930462 /nfs/dbraw/zinc/93/04/62/354930462.db2.gz SHWKAPFTYKTZBA-UHFFFAOYSA-N 2 0 294.399 -0.449 20 0 CBADRP O=C(NC1C[NH2+]C1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000574907309 354931560 /nfs/dbraw/zinc/93/15/60/354931560.db2.gz SNORILKXFHANAG-GFCCVEGCSA-N 2 0 280.372 -0.839 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000575138776 354934058 /nfs/dbraw/zinc/93/40/58/354934058.db2.gz MLBZBYABJFVJJB-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000578122295 354939140 /nfs/dbraw/zinc/93/91/40/354939140.db2.gz OVSDWZZLUURVFN-LBPRGKRZSA-N 2 0 284.404 -0.164 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000578226627 354942165 /nfs/dbraw/zinc/94/21/65/354942165.db2.gz LTIHOLAPBNNEBO-WDEREUQCSA-N 2 0 257.382 -0.779 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCOC(C)(C)C)CC1 ZINC000578316093 354942886 /nfs/dbraw/zinc/94/28/86/354942886.db2.gz MRHJMWDJXVZFDE-ZDUSSCGKSA-N 2 0 273.421 -0.001 20 0 CBADRP COc1cc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)ccn1 ZINC000578350078 354943822 /nfs/dbraw/zinc/94/38/22/354943822.db2.gz DHWAUVXNEKDMTF-AWEZNQCLSA-N 2 0 294.399 -0.212 20 0 CBADRP O[C@H](C[NH2+]CCCC[NH+]1CCOCC1)Cn1cccn1 ZINC000578349875 354944193 /nfs/dbraw/zinc/94/41/93/354944193.db2.gz SQDCCWSJXBJORM-CQSZACIVSA-N 2 0 282.388 -0.054 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000578490143 354947082 /nfs/dbraw/zinc/94/70/82/354947082.db2.gz NVPDUGFIBJAVPV-TUAOUCFPSA-N 2 0 269.393 -0.718 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000578521924 354948844 /nfs/dbraw/zinc/94/88/44/354948844.db2.gz SMXXSEWJLXLZIR-FIQHERPVSA-N 2 0 255.362 -0.132 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)COC2C[NH2+]C2)C1 ZINC000578627951 354950476 /nfs/dbraw/zinc/95/04/76/354950476.db2.gz SRYNVPNWEBBSND-WCQYABFASA-N 2 0 267.373 -0.083 20 0 CBADRP CCN1C[C@@H](C)N(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000578670667 354952626 /nfs/dbraw/zinc/95/26/26/354952626.db2.gz VNAMQLIKFBFFGC-TUAOUCFPSA-N 2 0 282.388 -0.594 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000578768237 354954282 /nfs/dbraw/zinc/95/42/82/354954282.db2.gz PCGANMCJTUBJLG-SRVKXCTJSA-N 2 0 255.362 -0.001 20 0 CBADRP CCN(C)C(=O)CC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000578771160 354954767 /nfs/dbraw/zinc/95/47/67/354954767.db2.gz VVIFCBMOQKLWGJ-LBPRGKRZSA-N 2 0 284.404 -0.358 20 0 CBADRP CCOCC[NH+]1CCN(C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000578830302 354955477 /nfs/dbraw/zinc/95/54/77/354955477.db2.gz KXTMJUSMPXVQRW-AWEZNQCLSA-N 2 0 273.421 -0.047 20 0 CBADRP CO[C@H]1CCN(CCC(=O)N2CCN(C)CC2)[C@H](C[NH3+])C1 ZINC000578867978 354956576 /nfs/dbraw/zinc/95/65/76/354956576.db2.gz JWEXCIQSSSISQJ-KBPBESRZSA-N 3 0 298.431 -0.411 20 0 CBADRP COC[C@]1(C(=O)NCCCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000578885687 354957212 /nfs/dbraw/zinc/95/72/12/354957212.db2.gz HIHMXASEWUVONO-HNNXBMFYSA-N 2 0 299.415 -0.159 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)[C@@H]2C1 ZINC000579105934 354962279 /nfs/dbraw/zinc/96/22/79/354962279.db2.gz KEBFAMPCMXKVPV-FRRDWIJNSA-N 2 0 294.399 -0.593 20 0 CBADRP CCC[NH2+]CCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000579212154 354964411 /nfs/dbraw/zinc/96/44/11/354964411.db2.gz CSAIOHFSAJPLLG-LLVKDONJSA-N 2 0 257.382 -0.730 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000579353698 354968015 /nfs/dbraw/zinc/96/80/15/354968015.db2.gz FWSVTRLROIGXPW-BFHYXJOUSA-N 2 0 271.405 -0.512 20 0 CBADRP [NH3+]CCCCC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000579471951 354971630 /nfs/dbraw/zinc/97/16/30/354971630.db2.gz MOIWUPWMJNOWAC-CYBMUJFWSA-N 2 0 296.415 -0.214 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CC23CC3)CC1 ZINC000579703631 354976669 /nfs/dbraw/zinc/97/66/69/354976669.db2.gz IDTMZFGBZAGUOY-CHWSQXEVSA-N 2 0 253.390 -0.016 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000579708808 354976968 /nfs/dbraw/zinc/97/69/68/354976968.db2.gz SJUYGRXORKOCKX-LLVKDONJSA-N 2 0 280.376 -0.207 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000579813969 354979733 /nfs/dbraw/zinc/97/97/33/354979733.db2.gz BZBNOBITUOYCSM-UHFFFAOYSA-N 2 0 296.415 -0.130 20 0 CBADRP COc1ncccc1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000579827257 354979850 /nfs/dbraw/zinc/97/98/50/354979850.db2.gz KHFYJDIGSFHDBD-CQSZACIVSA-N 2 0 294.399 -0.212 20 0 CBADRP COCCn1cc(CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000579853675 354981996 /nfs/dbraw/zinc/98/19/96/354981996.db2.gz ZCOHIWPCGKGCRQ-CHWSQXEVSA-N 2 0 293.371 -0.727 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CCO)[C@@H](C)C1 ZINC000579854654 354982434 /nfs/dbraw/zinc/98/24/34/354982434.db2.gz HPUGAPUUDKFKCR-STQMWFEESA-N 2 0 259.394 -0.703 20 0 CBADRP COCC1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[NH2+]CC1 ZINC000579950490 354984443 /nfs/dbraw/zinc/98/44/43/354984443.db2.gz CSBRQOFBCVVJLA-URLYPYJESA-N 2 0 253.346 -0.663 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000579968470 354985328 /nfs/dbraw/zinc/98/53/28/354985328.db2.gz AJUCQXHJSJNKRL-RDBSUJKOSA-N 2 0 273.421 -0.050 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000580098024 354989011 /nfs/dbraw/zinc/98/90/11/354989011.db2.gz WTZBHCZQZJRXMY-RWMBFGLXSA-N 2 0 294.399 -0.593 20 0 CBADRP [NH3+]CCC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000580192883 354989897 /nfs/dbraw/zinc/98/98/97/354989897.db2.gz OPOMSJGYTVOFRN-LLVKDONJSA-N 2 0 268.361 -0.994 20 0 CBADRP C[NH+](C)CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000580309085 354992818 /nfs/dbraw/zinc/99/28/18/354992818.db2.gz CXEJKCMMJWNDHK-JTQLQIEISA-N 2 0 266.349 -0.679 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000580709370 354995575 /nfs/dbraw/zinc/99/55/75/354995575.db2.gz VSJCPWZSMJRDFV-LBPRGKRZSA-N 2 0 292.387 -0.068 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@H]1CCCC(=O)N1 ZINC000580675527 354996034 /nfs/dbraw/zinc/99/60/34/354996034.db2.gz RKZJBNBVPWIAKM-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP COC[C@@]1(C(=O)NCCNc2cc[nH+]cc2)CC[NH2+]C1 ZINC000581009759 355003867 /nfs/dbraw/zinc/00/38/67/355003867.db2.gz VSRGFLNVYRQCKU-CQSZACIVSA-N 2 0 278.356 -0.342 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000580784323 354998548 /nfs/dbraw/zinc/99/85/48/354998548.db2.gz UPDKSAVMQGVKKM-AWEZNQCLSA-N 2 0 269.389 -0.099 20 0 CBADRP COC1(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC[NH2+]CC1 ZINC000584351808 355030255 /nfs/dbraw/zinc/03/02/55/355030255.db2.gz MMMBNIKUKUWXQP-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP COC(=O)c1cn(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)nn1 ZINC000584789746 355038611 /nfs/dbraw/zinc/03/86/11/355038611.db2.gz ARWZKCQEHLCVSZ-UWVGGRQHSA-N 2 0 267.333 -0.076 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000584839042 355039842 /nfs/dbraw/zinc/03/98/42/355039842.db2.gz CRJLGLYRHLDWHY-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](C[C@H]3CCCOC3)CCN2C1=O ZINC000582073660 355007032 /nfs/dbraw/zinc/00/70/32/355007032.db2.gz LWDZHJZZJBPDQW-IJLUTSLNSA-N 2 0 253.346 -0.343 20 0 CBADRP C[C@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000582121108 355008515 /nfs/dbraw/zinc/00/85/15/355008515.db2.gz PAZZYZPCFYPUBZ-RWMBFGLXSA-N 2 0 296.415 -0.251 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000582171583 355009361 /nfs/dbraw/zinc/00/93/61/355009361.db2.gz UHXYSBCUZPCTPV-ZDUSSCGKSA-N 2 0 283.420 -0.374 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000582231364 355010959 /nfs/dbraw/zinc/01/09/59/355010959.db2.gz MUGSCBDLDIDSOI-RYUDHWBXSA-N 2 0 269.393 -0.587 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000582242679 355011847 /nfs/dbraw/zinc/01/18/47/355011847.db2.gz MRXVEIWUBGGGOL-NHCYSSNCSA-N 2 0 270.377 -0.800 20 0 CBADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000582291431 355012785 /nfs/dbraw/zinc/01/27/85/355012785.db2.gz XZTVARHMTJSVPG-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP [NH3+]CCOCC[NH+]1CCC(Cn2cncn2)CC1 ZINC000582302014 355013463 /nfs/dbraw/zinc/01/34/63/355013463.db2.gz SAIFGNSOAUDXEZ-UHFFFAOYSA-N 2 0 253.350 -0.035 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000582302243 355013661 /nfs/dbraw/zinc/01/36/61/355013661.db2.gz LSDJCOPGXOZJKT-PWSUYJOCSA-N 2 0 270.377 -0.656 20 0 CBADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000583554794 355018897 /nfs/dbraw/zinc/01/88/97/355018897.db2.gz VEBAUSZEWDZKFV-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000419018917 295895094 /nfs/dbraw/zinc/89/50/94/295895094.db2.gz CVUSIUXPAPZSSG-NDBYEHHHSA-N 2 0 298.431 -0.068 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000583565403 355020201 /nfs/dbraw/zinc/02/02/01/355020201.db2.gz KFCQDXKIJQYSLK-NWDGAFQWSA-N 3 0 254.378 -0.523 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000583871216 355023300 /nfs/dbraw/zinc/02/33/00/355023300.db2.gz SXNQYOCVYTUHSW-MNOVXSKESA-N 2 0 278.360 -0.488 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000583872464 355024417 /nfs/dbraw/zinc/02/44/17/355024417.db2.gz JXYRMNPUQUCUQU-QWHCGFSZSA-N 2 0 268.405 -0.180 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000583993682 355026275 /nfs/dbraw/zinc/02/62/75/355026275.db2.gz RULQNPQYCDIGGI-MNOVXSKESA-N 2 0 292.387 -0.880 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]C1 ZINC000583992865 355026333 /nfs/dbraw/zinc/02/63/33/355026333.db2.gz IZLSSPDXKUKZFM-OBJOEFQTSA-N 2 0 267.373 -0.320 20 0 CBADRP CSCCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000591740801 355112315 /nfs/dbraw/zinc/11/23/15/355112315.db2.gz IZRZLNIJRWIPMX-GFCCVEGCSA-N 2 0 261.435 -0.063 20 0 CBADRP CCC(=O)N[C@H](C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000590817500 355089049 /nfs/dbraw/zinc/08/90/49/355089049.db2.gz BHRQYCRGXVNDLR-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000591354702 355093584 /nfs/dbraw/zinc/09/35/84/355093584.db2.gz PLEJKSJPPWUJEE-GRYCIOLGSA-N 2 0 283.372 -0.262 20 0 CBADRP CCC[NH2+][C@@H](C)C(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000591354765 355094596 /nfs/dbraw/zinc/09/45/96/355094596.db2.gz YDZVNIYAPGXLKV-WDEREUQCSA-N 2 0 271.361 -0.262 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CC[NH2+]C(C)C ZINC000592546545 355160934 /nfs/dbraw/zinc/16/09/34/355160934.db2.gz AUDVUAHMAOJIMI-NSHDSACASA-N 2 0 271.361 -0.262 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000592546530 355161025 /nfs/dbraw/zinc/16/10/25/355161025.db2.gz ANSYDSQRYXRZPZ-UWVGGRQHSA-N 2 0 257.334 -0.795 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000592551534 355161606 /nfs/dbraw/zinc/16/16/06/355161606.db2.gz FSHRDOUABRHYHU-QWRGUYRKSA-N 2 0 269.345 -0.651 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592553486 355162735 /nfs/dbraw/zinc/16/27/35/355162735.db2.gz VMEZQRNUWBPULY-IJLUTSLNSA-N 2 0 283.372 -0.310 20 0 CBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[NH2+]CCO3)C2)CC1 ZINC000592134224 355133948 /nfs/dbraw/zinc/13/39/48/355133948.db2.gz LLSPALPCFBEFPP-KBPBESRZSA-N 2 0 296.415 -0.787 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000592293091 355146432 /nfs/dbraw/zinc/14/64/32/355146432.db2.gz QZDKYUWMWYBWTE-NXEZZACHSA-N 2 0 257.334 -0.475 20 0 CBADRP CC[C@H]1CN(C(=O)[C@@H]([NH3+])CC(=O)OC)CC[C@@H]1[NH3+] ZINC000592330517 355148180 /nfs/dbraw/zinc/14/81/80/355148180.db2.gz BRLAWBKBBZEDHX-GUBZILKMSA-N 2 0 257.334 -0.537 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000592418990 355153075 /nfs/dbraw/zinc/15/30/75/355153075.db2.gz ATCXAUSJAWMKNQ-MELADBBJSA-N 2 0 281.400 -0.004 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1CC1CC[NH2+]CC1 ZINC000592433223 355153750 /nfs/dbraw/zinc/15/37/50/355153750.db2.gz BXYKIXXIGSIKFA-LBPRGKRZSA-N 2 0 255.362 -0.177 20 0 CBADRP CS[C@H](CO)[C@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000592430982 355153942 /nfs/dbraw/zinc/15/39/42/355153942.db2.gz FTMOPPNMCTVZMC-YNEHKIRRSA-N 2 0 291.461 -0.703 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]([NH3+])CCC(=O)OC ZINC000592474864 355156615 /nfs/dbraw/zinc/15/66/15/355156615.db2.gz HFVGCMJGFGPSIP-VHSXEESVSA-N 2 0 257.334 -0.523 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1CC[C@@H]1CC[NH2+]C1 ZINC000592486516 355157547 /nfs/dbraw/zinc/15/75/47/355157547.db2.gz IEKJNECNHZQWRJ-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492182 355158110 /nfs/dbraw/zinc/15/81/10/355158110.db2.gz USCZOBZLSOQNEY-WDEREUQCSA-N 2 0 268.361 -0.107 20 0 CBADRP NC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492180 355158315 /nfs/dbraw/zinc/15/83/15/355158315.db2.gz USCZOBZLSOQNEY-MNOVXSKESA-N 2 0 268.361 -0.107 20 0 CBADRP COC(=O)c1cn([C@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)nn1 ZINC000592495586 355158467 /nfs/dbraw/zinc/15/84/67/355158467.db2.gz MOQSKUGIENLOAR-QWRGUYRKSA-N 2 0 279.344 -0.079 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000592964078 355187326 /nfs/dbraw/zinc/18/73/26/355187326.db2.gz NXEOYQBTBFASBO-NSHDSACASA-N 2 0 271.361 -0.308 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000594443663 355248636 /nfs/dbraw/zinc/24/86/36/355248636.db2.gz HMGPXPMLPBKPEF-SLEUVZQESA-N 2 0 295.383 -0.260 20 0 CBADRP COCC(C)(C)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594739787 355259272 /nfs/dbraw/zinc/25/92/72/355259272.db2.gz VEYLPKGODFFZFS-MNOVXSKESA-N 2 0 255.362 -0.097 20 0 CBADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594878145 355267031 /nfs/dbraw/zinc/26/70/31/355267031.db2.gz PUEGFRNYVPJQKP-GRYCIOLGSA-N 2 0 294.399 -0.465 20 0 CBADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594878146 355267347 /nfs/dbraw/zinc/26/73/47/355267347.db2.gz PUEGFRNYVPJQKP-IJLUTSLNSA-N 2 0 294.399 -0.465 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])CCN2C1=O ZINC000594878292 355267353 /nfs/dbraw/zinc/26/73/53/355267353.db2.gz FHDQZUPXBVXMCW-IRCOFANPSA-N 2 0 280.372 -0.726 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)CCN2C1=O ZINC000594879326 355268068 /nfs/dbraw/zinc/26/80/68/355268068.db2.gz MZMCVSGVIGYVGX-FVCCEPFGSA-N 2 0 292.383 -0.713 20 0 CBADRP CC(C)[C@H]([NH3+])CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594880564 355268154 /nfs/dbraw/zinc/26/81/54/355268154.db2.gz UVVOHJPEBMCGKB-MXWKQRLJSA-N 2 0 268.361 -0.870 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594879649 355268160 /nfs/dbraw/zinc/26/81/60/355268160.db2.gz FMMXIXFFOGTEPZ-WRWGMCAJSA-N 2 0 280.372 -0.855 20 0 CBADRP COC(=O)CCN1CC[C@H]([N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)C1=O ZINC000595890170 355314539 /nfs/dbraw/zinc/31/45/39/355314539.db2.gz YYXAJOKQXZPBSU-SRVKXCTJSA-N 2 0 283.372 -0.181 20 0 CBADRP NC(=O)NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595900256 355315493 /nfs/dbraw/zinc/31/54/93/355315493.db2.gz CQVZBTIQRZYFCW-NSHDSACASA-N 2 0 268.361 -0.107 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000595949478 355326030 /nfs/dbraw/zinc/32/60/30/355326030.db2.gz DUXLBMDMAZUWAT-ZJUUUORDSA-N 2 0 257.334 -0.652 20 0 CBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3)C2)CC1 ZINC000595954145 355327408 /nfs/dbraw/zinc/32/74/08/355327408.db2.gz GQFWSXJUCJYMHM-MGPQQGTHSA-N 2 0 280.416 -0.038 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000595262846 355276461 /nfs/dbraw/zinc/27/64/61/355276461.db2.gz FOUQOPXRQCVEHA-TUAOUCFPSA-N 2 0 295.387 -0.966 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000595262844 355276683 /nfs/dbraw/zinc/27/66/83/355276683.db2.gz FOUQOPXRQCVEHA-SRVKXCTJSA-N 2 0 295.387 -0.966 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000598668927 355449892 /nfs/dbraw/zinc/44/98/92/355449892.db2.gz TXZJFJFZKIXMIN-JHJVBQTASA-N 2 0 294.399 -0.463 20 0 CBADRP COC(=O)CCCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000600712029 355562237 /nfs/dbraw/zinc/56/22/37/355562237.db2.gz VOHYPKMXEHGLLO-GHMZBOCLSA-N 2 0 269.345 -0.427 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000599933165 355519342 /nfs/dbraw/zinc/51/93/42/355519342.db2.gz CZRWUXZNPQQTRZ-NOOOWODRSA-N 2 0 295.387 -0.920 20 0 CBADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000601325538 355585336 /nfs/dbraw/zinc/58/53/36/355585336.db2.gz KVCVBQRDIIJTDV-WHOHXGKFSA-N 2 0 253.346 -0.345 20 0 CBADRP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000600734116 355563640 /nfs/dbraw/zinc/56/36/40/355563640.db2.gz DQWOONVAADSHMS-JTQLQIEISA-N 2 0 274.365 -0.484 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600747048 355565237 /nfs/dbraw/zinc/56/52/37/355565237.db2.gz WEKWLGWULSPUED-GASCZTMLSA-N 2 0 297.399 -0.061 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000601026916 355576932 /nfs/dbraw/zinc/57/69/32/355576932.db2.gz ZRPKEYGWJLKZQB-STQMWFEESA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@@H]1CN(C(=O)C2([S@@](C)=O)CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000602435858 355649817 /nfs/dbraw/zinc/64/98/17/355649817.db2.gz VLEYBTLMDYFMIH-RMDKCXRXSA-N 2 0 287.429 -0.304 20 0 CBADRP C[S@](=O)C1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC000602488301 355652718 /nfs/dbraw/zinc/65/27/18/355652718.db2.gz TUDDTORPNUHTJB-ZBUHCNDUSA-N 2 0 299.440 -0.160 20 0 CBADRP C[S@](=O)C1(C(=O)N2CC[NH2+]C(C)(C)C2)CC[NH2+]CC1 ZINC000602496010 355653692 /nfs/dbraw/zinc/65/36/92/355653692.db2.gz KCHQFMPXFXEYHL-IBGZPJMESA-N 2 0 287.429 -0.303 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])CCC(=O)OC ZINC000602545221 355659109 /nfs/dbraw/zinc/65/91/09/355659109.db2.gz VOIFJHDCNKIOII-KXUCPTDWSA-N 2 0 257.334 -0.476 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000602582869 355662555 /nfs/dbraw/zinc/66/25/55/355662555.db2.gz YIUQOVDZENVNLR-MNOVXSKESA-N 2 0 271.361 -0.003 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000602605577 355664666 /nfs/dbraw/zinc/66/46/66/355664666.db2.gz WZZNFHVBQZEIET-SDDRHHMPSA-N 2 0 283.372 -0.133 20 0 CBADRP CC(C)[C@H](C[NH3+])CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000602021607 355625646 /nfs/dbraw/zinc/62/56/46/355625646.db2.gz QBRBGDXOUZPRLV-UTUOFQBUSA-N 2 0 254.378 -0.539 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1CC12CC(C1)C[NH2+]2 ZINC000602022233 355626060 /nfs/dbraw/zinc/62/60/60/355626060.db2.gz RZFCBZYDTBLPIM-AKJDGMEZSA-N 2 0 253.346 -0.425 20 0 CBADRP CNC(=O)NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878479 355679422 /nfs/dbraw/zinc/67/94/22/355679422.db2.gz WZNCEBJTAZYUCF-UHFFFAOYSA-N 2 0 268.361 -0.140 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000612550940 355840487 /nfs/dbraw/zinc/84/04/87/355840487.db2.gz KENPVMRJSZBNOW-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612875873 355854320 /nfs/dbraw/zinc/85/43/20/355854320.db2.gz OBJXOKNIJVRWCY-GFCCVEGCSA-N 2 0 258.366 -0.384 20 0 CBADRP C[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612973502 355858417 /nfs/dbraw/zinc/85/84/17/355858417.db2.gz HHPPDKAMRCJEOB-GFCCVEGCSA-N 2 0 296.415 -0.116 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000612979703 355858667 /nfs/dbraw/zinc/85/86/67/355858667.db2.gz IYHUHPFGBZTFOO-SMDDNHRTSA-N 2 0 282.388 -0.506 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CCO1 ZINC000612994879 355860431 /nfs/dbraw/zinc/86/04/31/355860431.db2.gz WLCLHFLOORXXBN-GHMZBOCLSA-N 2 0 268.361 -0.502 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000614065615 355933154 /nfs/dbraw/zinc/93/31/54/355933154.db2.gz QTVDELQSKGJEGS-OCCSQVGLSA-N 2 0 269.389 -0.147 20 0 CBADRP C[NH+](C)C[C@H](CO)NC(=O)CC1CC[NH+](C)CC1 ZINC000614851028 355990871 /nfs/dbraw/zinc/99/08/71/355990871.db2.gz DWNFSPPPHRLBFD-GFCCVEGCSA-N 2 0 257.378 -0.243 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000614502688 355963274 /nfs/dbraw/zinc/96/32/74/355963274.db2.gz LMGDMRUCEFRKSF-ZIAGYGMSSA-N 2 0 280.416 -0.023 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000614506102 355964736 /nfs/dbraw/zinc/96/47/36/355964736.db2.gz VWOOLXIMVJWNIL-KGLIPLIRSA-N 2 0 280.416 -0.166 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000614507502 355965437 /nfs/dbraw/zinc/96/54/37/355965437.db2.gz POKLTUSIXIRHSJ-CQSZACIVSA-N 2 0 280.416 -0.166 20 0 CBADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000615313253 356021022 /nfs/dbraw/zinc/02/10/22/356021022.db2.gz HXGVKIMLBSDVCE-HZSPNIEDSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)[NH+](C)C ZINC000617756964 356154324 /nfs/dbraw/zinc/15/43/24/356154324.db2.gz RUUGYGTYPGNAIL-QWHCGFSZSA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)[NH+](C)C ZINC000617756962 356154815 /nfs/dbraw/zinc/15/48/15/356154815.db2.gz RUUGYGTYPGNAIL-CHWSQXEVSA-N 2 0 268.405 -0.167 20 0 CBADRP CC[N@H+](CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C1CC1 ZINC000618307167 356186357 /nfs/dbraw/zinc/18/63/57/356186357.db2.gz YUTXBIHPMHMCBI-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621698689 356281056 /nfs/dbraw/zinc/28/10/56/356281056.db2.gz CTUQWKXASNDDIG-VHRBIJSZSA-N 2 0 282.388 -0.574 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621698716 356281150 /nfs/dbraw/zinc/28/11/50/356281150.db2.gz DKPOCTUYVXAXQX-HIFRSBDPSA-N 2 0 280.416 -0.036 20 0 CBADRP CC(C)[C@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC[NH2+]1 ZINC000621155559 356257446 /nfs/dbraw/zinc/25/74/46/356257446.db2.gz HYSWUVLDEKWQEI-ZIAGYGMSSA-N 2 0 280.416 -0.167 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621698687 356281372 /nfs/dbraw/zinc/28/13/72/356281372.db2.gz CTUQWKXASNDDIG-OSMZGAPFSA-N 2 0 282.388 -0.574 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621700559 356281536 /nfs/dbraw/zinc/28/15/36/356281536.db2.gz QZKWNIYIYRZUPK-MRBYEJRBSA-N 2 0 253.346 -0.310 20 0 CBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)[C@@H]2C1 ZINC000418677624 283148574 /nfs/dbraw/zinc/14/85/74/283148574.db2.gz UUDOSSXXRBETFT-KIJLLGNVSA-N 2 0 264.373 -0.060 20 0 CBADRP CNS(=O)(=O)CCN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000621323209 356272376 /nfs/dbraw/zinc/27/23/76/356272376.db2.gz WCWRWZPVUJKJFO-LBPRGKRZSA-N 2 0 293.433 -0.422 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)nn1 ZINC000621679963 356279925 /nfs/dbraw/zinc/27/99/25/356279925.db2.gz YUSGYBJQTBVZEE-BXKDBHETSA-N 2 0 264.333 -0.810 20 0 CBADRP O=C(CC[C@@H]1CCC[NH2+]C1)N1CCOC2(C[NH2+]C2)C1 ZINC000621669604 356280122 /nfs/dbraw/zinc/28/01/22/356280122.db2.gz QNIHMCYHOWOFSB-LBPRGKRZSA-N 2 0 267.373 -0.033 20 0 CBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1COC3)C2 ZINC000621681792 356280573 /nfs/dbraw/zinc/28/05/73/356280573.db2.gz WVWAMKWIEMCSKJ-XWUBHJNHSA-N 2 0 265.357 -0.438 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000620478634 356244498 /nfs/dbraw/zinc/24/44/98/356244498.db2.gz ZRTXEJCCZGZDBF-TZMCWYRMSA-N 2 0 281.400 -0.004 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)nn1 ZINC000621682640 356280624 /nfs/dbraw/zinc/28/06/24/356280624.db2.gz JIMZHKQSAMTMJU-GXFFZTMASA-N 2 0 278.360 -0.420 20 0 CBADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)CCOC1C[NH2+]C1)C2 ZINC000621684510 356280645 /nfs/dbraw/zinc/28/06/45/356280645.db2.gz NKECBLQOSZFCIW-GXFFZTMASA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)nn1 ZINC000621682223 356280651 /nfs/dbraw/zinc/28/06/51/356280651.db2.gz BRTZWHXWTLWAGX-SMDDNHRTSA-N 2 0 292.387 -0.030 20 0 CBADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C[C@@H]1C[NH2+]CCO1)C2 ZINC000621684368 356280754 /nfs/dbraw/zinc/28/07/54/356280754.db2.gz LIMUDQPKBSKUIO-LOWVWBTDSA-N 2 0 253.346 -0.295 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621841676 356289030 /nfs/dbraw/zinc/28/90/30/356289030.db2.gz YFPOWDOVTVCJOY-XUJVJEKNSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)C1CC1 ZINC000621839029 356289156 /nfs/dbraw/zinc/28/91/56/356289156.db2.gz MWLGLXLBHQYBGL-ABAIWWIYSA-N 2 0 294.399 -0.463 20 0 CBADRP CC[C@@H](C(=O)NCC[NH+]1CCC(O)CC1)[NH+](C)C ZINC000622659049 356334552 /nfs/dbraw/zinc/33/45/52/356334552.db2.gz SCBZDJMTACLNSH-LBPRGKRZSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000622658933 356334772 /nfs/dbraw/zinc/33/47/72/356334772.db2.gz NITPJBMVSORDDX-CYBMUJFWSA-N 2 0 299.415 -0.472 20 0 CBADRP Nc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000623800311 356376499 /nfs/dbraw/zinc/37/64/99/356376499.db2.gz DLRRDLPFPLMOHS-LLVKDONJSA-N 2 0 285.355 -0.195 20 0 CBADRP CC[NH+]1CCC(N(C)c2nc(N)[nH+]c(N)n2)CC1 ZINC000623833701 356378421 /nfs/dbraw/zinc/37/84/21/356378421.db2.gz ULMJWRZDURCASG-UHFFFAOYSA-N 2 0 251.338 -0.383 20 0 CBADRP C[C@H](CNc1nc(N)[nH+]c(N)n1)[N@@H+]1CCCC[C@@H]1C ZINC000623857268 356378928 /nfs/dbraw/zinc/37/89/28/356378928.db2.gz LKTGRIOELRAFHG-DTWKUNHWSA-N 2 0 265.365 -0.207 20 0 CBADRP Nc1nc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)nc(N)[nH+]1 ZINC000623846251 356379458 /nfs/dbraw/zinc/37/94/58/356379458.db2.gz PYXGIYIQTBCRJU-SNVBAGLBSA-N 2 0 293.375 -0.612 20 0 CBADRP C[C@H](CNc1nc(N)[nH+]c(N)n1)[N@@H+]1CCCC[C@H]1C ZINC000623857274 356379488 /nfs/dbraw/zinc/37/94/88/356379488.db2.gz LKTGRIOELRAFHG-RKDXNWHRSA-N 2 0 265.365 -0.207 20 0 CBADRP C[NH+](C)[C@@H](CNc1nc(N)[nH+]c(N)n1)c1ccc(F)cc1 ZINC000623877333 356380244 /nfs/dbraw/zinc/38/02/44/356380244.db2.gz YVRXCXFEBNPGKB-JTQLQIEISA-N 2 0 291.334 -0.027 20 0 CBADRP Nc1nc(NC2CC[NH+](CC3CC3)CC2)nc(N)[nH+]1 ZINC000623875670 356380580 /nfs/dbraw/zinc/38/05/80/356380580.db2.gz RUWIWFJDALMLTM-UHFFFAOYSA-N 2 0 263.349 -0.595 20 0 CBADRP CC[NH+]1CCC(CNc2nc(N)[nH+]c(N)n2)CC1 ZINC000623887909 356381571 /nfs/dbraw/zinc/38/15/71/356381571.db2.gz QVFGMRLRNYSUDQ-UHFFFAOYSA-N 2 0 251.338 -0.738 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1nc(N)[nH+]c(N)n1 ZINC000623885571 356381632 /nfs/dbraw/zinc/38/16/32/356381632.db2.gz BFXXFPWVOXRBQU-DTWKUNHWSA-N 2 0 265.365 -0.349 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(c3nc(N)[nH+]c(N)n3)CC[C@@H]21 ZINC000624041342 356391721 /nfs/dbraw/zinc/39/17/21/356391721.db2.gz QVLGEOHPLKISNG-IUCAKERBSA-N 2 0 263.349 -0.383 20 0 CBADRP C[NH+](C)CCN(Cc1ccccn1)c1nc(N)[nH+]c(N)n1 ZINC000624052582 356394106 /nfs/dbraw/zinc/39/41/06/356394106.db2.gz JEKDYHRXLHLTQN-UHFFFAOYSA-N 2 0 288.359 -0.340 20 0 CBADRP C[N@@H+]1CCCC12CCN(c1nc(N)[nH+]c(N)n1)CC2 ZINC000624081717 356394974 /nfs/dbraw/zinc/39/49/74/356394974.db2.gz DNUKLJVDLLJDJZ-UHFFFAOYSA-N 2 0 263.349 -0.239 20 0 CBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624165113 356400790 /nfs/dbraw/zinc/40/07/90/356400790.db2.gz YLFCBDKMBRGBEJ-VIFPVBQESA-N 2 0 293.375 -0.614 20 0 CBADRP C[NH+](C)CC1(CNc2nc(N)[nH+]c(N)n2)CCCC1 ZINC000624101744 356396409 /nfs/dbraw/zinc/39/64/09/356396409.db2.gz ZFPSLBHXDUNBED-UHFFFAOYSA-N 2 0 265.365 -0.347 20 0 CBADRP C[NH+]1CCC(C)(CNc2nc(N)[nH+]c(N)n2)CC1 ZINC000624091798 356396976 /nfs/dbraw/zinc/39/69/76/356396976.db2.gz OHDKTCZOUWMQMD-UHFFFAOYSA-N 2 0 251.338 -0.738 20 0 CBADRP CC(C)C[N@H+](C)CCCNc1nc(N)[nH+]c(N)n1 ZINC000624346557 356413198 /nfs/dbraw/zinc/41/31/98/356413198.db2.gz RDRVCCQHXYGDEK-UHFFFAOYSA-N 2 0 253.354 -0.492 20 0 CBADRP CN(CCC[NH+]1CCCC1)c1nc(N)[nH+]c(N)n1 ZINC000624181055 356402782 /nfs/dbraw/zinc/40/27/82/356402782.db2.gz YAMHUGPXIFNVCS-UHFFFAOYSA-N 2 0 251.338 -0.381 20 0 CBADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624220958 356404985 /nfs/dbraw/zinc/40/49/85/356404985.db2.gz KMBRMNGOABMDDI-DTWKUNHWSA-N 2 0 263.349 -0.240 20 0 CBADRP CCCC[N@H+](C)C[C@@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624231527 356405912 /nfs/dbraw/zinc/40/59/12/356405912.db2.gz ASRLNXVIHQHCKF-MRVPVSSYSA-N 2 0 253.354 -0.349 20 0 CBADRP CCC[N@H+](CC)C[C@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624234309 356405935 /nfs/dbraw/zinc/40/59/35/356405935.db2.gz KVUOLBGGSDCFQN-QMMMGPOBSA-N 2 0 253.354 -0.349 20 0 CBADRP C[C@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@@H+](C2CC2)C1 ZINC000624247984 356407627 /nfs/dbraw/zinc/40/76/27/356407627.db2.gz XSMMFEPUMCLVSP-MRVPVSSYSA-N 2 0 263.349 -0.383 20 0 CBADRP Nc1nc(N2CCC([N@@H+]3CCCOCC3)CC2)nc(N)[nH+]1 ZINC000624275287 356409238 /nfs/dbraw/zinc/40/92/38/356409238.db2.gz RMQXXZHDVCNBDC-UHFFFAOYSA-N 2 0 293.375 -0.612 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000341667885 295924875 /nfs/dbraw/zinc/92/48/75/295924875.db2.gz UQGNBKAFLZYBKU-JSGCOSHPSA-N 2 0 287.404 -0.617 20 0 CBADRP [NH3+]CCCOCCNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000626978210 356562428 /nfs/dbraw/zinc/56/24/28/356562428.db2.gz AJJFYSCWYUWKHR-NSHDSACASA-N 2 0 270.377 -0.112 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NC1CC[NH+](C)CC1 ZINC000626921760 356556125 /nfs/dbraw/zinc/55/61/25/356556125.db2.gz PAZWFDZWCUZFJG-UHFFFAOYSA-N 2 0 272.393 -0.042 20 0 CBADRP C[NH+]1CCC(NC(=O)NCCOCCC[NH3+])CC1 ZINC000626920810 356556317 /nfs/dbraw/zinc/55/63/17/356556317.db2.gz CCTBIEGFDAJIDV-UHFFFAOYSA-N 2 0 258.366 -0.255 20 0 CBADRP C[NH2+]CCOCCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000626950451 356558647 /nfs/dbraw/zinc/55/86/47/356558647.db2.gz RIRBZWHIOSEDFM-NSHDSACASA-N 2 0 258.366 -0.384 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@H]1CCCC[NH2+]1 ZINC000627065972 356571663 /nfs/dbraw/zinc/57/16/63/356571663.db2.gz MOKUTYQFPILYAB-NEPJUHHUSA-N 2 0 270.377 -0.506 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000627064648 356571788 /nfs/dbraw/zinc/57/17/88/356571788.db2.gz VJOIMAAFEOZKSY-ZDUSSCGKSA-N 2 0 295.431 -0.135 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000627069694 356572487 /nfs/dbraw/zinc/57/24/87/356572487.db2.gz QXVBTQNMVLFXPZ-VXGBXAGGSA-N 2 0 272.393 -0.090 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)NCCN2CC[NH2+]CC2)C[NH2+]1 ZINC000627066290 356572501 /nfs/dbraw/zinc/57/25/01/356572501.db2.gz REXYMNHFKKEGQX-RYUDHWBXSA-N 2 0 269.393 -0.669 20 0 CBADRP C[C@@H](NC(=O)N(C)CCOCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC000627069636 356572589 /nfs/dbraw/zinc/57/25/89/356572589.db2.gz QENZUFPTZYZEDH-NEPJUHHUSA-N 2 0 272.393 -0.009 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000626983006 356563096 /nfs/dbraw/zinc/56/30/96/356563096.db2.gz YQDQVTSMUQRDEJ-OLZOCXBDSA-N 2 0 282.388 -0.242 20 0 CBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000626986332 356563373 /nfs/dbraw/zinc/56/33/73/356563373.db2.gz GCKQQEDUIWQFOG-UONOGXRCSA-N 2 0 297.447 -0.079 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000626982959 356563521 /nfs/dbraw/zinc/56/35/21/356563521.db2.gz XJQWQXRIPOZEAQ-MNOVXSKESA-N 2 0 256.350 -0.632 20 0 CBADRP C[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1CN(C)CCO1 ZINC000627003616 356565484 /nfs/dbraw/zinc/56/54/84/356565484.db2.gz RYDQDIBDSPPNPC-AXFHLTTASA-N 2 0 256.350 -0.633 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627131870 356588035 /nfs/dbraw/zinc/58/80/35/356588035.db2.gz XEWCPTSRVKGDOA-YPMHNXCESA-N 2 0 284.404 -0.117 20 0 CBADRP C[C@@]1(NC(=O)NCC2([NH3+])CCOCC2)CC[NH2+]C1 ZINC000627147393 356588467 /nfs/dbraw/zinc/58/84/67/356588467.db2.gz MKHFVQQTBFBPLV-LLVKDONJSA-N 2 0 256.350 -0.455 20 0 CBADRP C[C@H]1[NH2+]CCN(C(=O)NCC2([NH3+])CCOCC2)[C@@H]1C ZINC000627147502 356588692 /nfs/dbraw/zinc/58/86/92/356588692.db2.gz JUBCMLYNQOQPHQ-GHMZBOCLSA-N 2 0 270.377 -0.114 20 0 CBADRP C[C@H]1CN(C(=O)NCC2([NH3+])CCOCC2)[C@@H](C)C[NH2+]1 ZINC000627146883 356588827 /nfs/dbraw/zinc/58/88/27/356588827.db2.gz BUQYNWJMXBBEGT-QWRGUYRKSA-N 2 0 270.377 -0.114 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000627158700 356591109 /nfs/dbraw/zinc/59/11/09/356591109.db2.gz BOAVZBYKKZIXFT-MELADBBJSA-N 2 0 295.431 -0.184 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000627158693 356591129 /nfs/dbraw/zinc/59/11/29/356591129.db2.gz BJVKIVSAMZCGFL-YFKTTZPYSA-N 2 0 270.377 -0.116 20 0 CBADRP CC[C@@H]1CN(C(=O)NCCOCC[NH2+]C)CC[C@H]1[NH3+] ZINC000627170585 356592335 /nfs/dbraw/zinc/59/23/35/356592335.db2.gz DFGJFCAMJWZICU-VXGBXAGGSA-N 2 0 272.393 -0.009 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000627170828 356592546 /nfs/dbraw/zinc/59/25/46/356592546.db2.gz IKQZTLWMUIUWKR-JSGCOSHPSA-N 2 0 284.404 -0.007 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000627169861 356592619 /nfs/dbraw/zinc/59/26/19/356592619.db2.gz VINGFXZOFHNLRJ-NXEZZACHSA-N 2 0 262.329 -0.697 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000627171958 356592879 /nfs/dbraw/zinc/59/28/79/356592879.db2.gz NJVJDYBMTMXVAJ-NWDGAFQWSA-N 2 0 270.377 -0.432 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@H]1C[NH2+]C ZINC000627171179 356592895 /nfs/dbraw/zinc/59/28/95/356592895.db2.gz QJNGZCYZSQTZLU-NSHDSACASA-N 2 0 258.366 -0.384 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000627171809 356592980 /nfs/dbraw/zinc/59/29/80/356592980.db2.gz IQEGDXQDDRDUIJ-AWEZNQCLSA-N 2 0 284.404 -0.040 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000627171332 356593008 /nfs/dbraw/zinc/59/30/08/356593008.db2.gz BQQMKHFUZPLUOV-NSHDSACASA-N 2 0 272.393 -0.009 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[NH+]2CCC1CC2 ZINC000627173161 356593805 /nfs/dbraw/zinc/59/38/05/356593805.db2.gz PEFVWIFMDCXMPV-UHFFFAOYSA-N 2 0 270.377 -0.288 20 0 CBADRP O=C(NCC[C@H]1CC[NH2+]C1)NCC[N@H+]1CC[C@H](O)C1 ZINC000627073123 356573767 /nfs/dbraw/zinc/57/37/67/356573767.db2.gz KQBFHLNPUKWRDE-NEPJUHHUSA-N 2 0 270.377 -0.648 20 0 CBADRP C[C@@H](NC(=O)NCC[N@@H+]1CC[C@H](O)C1)[C@@H]1CCC[NH2+]C1 ZINC000627070437 356573790 /nfs/dbraw/zinc/57/37/90/356573790.db2.gz URYLMNZAZLQEDD-UPJWGTAASA-N 2 0 284.404 -0.260 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1CCC[NH2+]C1 ZINC000627075868 356574686 /nfs/dbraw/zinc/57/46/86/356574686.db2.gz PHHBAIWFTXMBEA-MNOVXSKESA-N 2 0 256.350 -0.896 20 0 CBADRP [NH3+][C@@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000627082569 356577395 /nfs/dbraw/zinc/57/73/95/356577395.db2.gz HJRIWKQEDKWRBA-MNOVXSKESA-N 2 0 256.350 -0.911 20 0 CBADRP CC1(CNC(=O)NC[C@@H]2COCC[NH2+]2)CC[NH2+]CC1 ZINC000627082917 356578271 /nfs/dbraw/zinc/57/82/71/356578271.db2.gz DEXZHQMRMFSUJM-LLVKDONJSA-N 2 0 270.377 -0.336 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000627083256 356578329 /nfs/dbraw/zinc/57/83/29/356578329.db2.gz RFUFQEILNADEMG-LLVKDONJSA-N 2 0 258.366 -0.399 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000627087263 356579623 /nfs/dbraw/zinc/57/96/23/356579623.db2.gz GWRRPCBPIQESDQ-GHMZBOCLSA-N 2 0 258.366 -0.480 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000627088396 356580861 /nfs/dbraw/zinc/58/08/61/356580861.db2.gz GUGBUSKRBARVIX-MNOVXSKESA-N 2 0 258.366 -0.338 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000627176012 356594371 /nfs/dbraw/zinc/59/43/71/356594371.db2.gz GGOWCMQTIOEMIS-ZDUSSCGKSA-N 2 0 282.388 -0.122 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000627088579 356581044 /nfs/dbraw/zinc/58/10/44/356581044.db2.gz RGODVNOVFNQXSN-MNOVXSKESA-N 2 0 258.366 -0.127 20 0 CBADRP COC[C@@]1(CNC(=O)N[C@@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000627091772 356581576 /nfs/dbraw/zinc/58/15/76/356581576.db2.gz BWTQWBMCIKWKJP-PWSUYJOCSA-N 2 0 256.350 -0.584 20 0 CBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627090729 356581651 /nfs/dbraw/zinc/58/16/51/356581651.db2.gz YNHGWCXNBGDKGN-QJPTWQEYSA-N 2 0 270.377 -0.650 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627090728 356581732 /nfs/dbraw/zinc/58/17/32/356581732.db2.gz YNHGWCXNBGDKGN-IJLUTSLNSA-N 2 0 270.377 -0.650 20 0 CBADRP C[C@H]1C[C@H](NC(=O)NCCOCCC[NH3+])CC[NH2+]1 ZINC000627090492 356581809 /nfs/dbraw/zinc/58/18/09/356581809.db2.gz VTTGPOPLFNNMIH-WDEREUQCSA-N 2 0 258.366 -0.209 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000627098302 356582685 /nfs/dbraw/zinc/58/26/85/356582685.db2.gz SBRZOFRMPOIRGH-QMMMGPOBSA-N 2 0 268.308 -0.496 20 0 CBADRP O=C(NCCC[C@H]1CCC[NH2+]1)NC[C@@H]1COCC[NH2+]1 ZINC000627101028 356582953 /nfs/dbraw/zinc/58/29/53/356582953.db2.gz PREUAOVIOFOHOZ-VXGBXAGGSA-N 2 0 270.377 -0.194 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)NC[C@@H]1COCC[NH2+]1)C(F)F ZINC000627099781 356583142 /nfs/dbraw/zinc/58/31/42/356583142.db2.gz XJUFUQXTFXMWMG-HTQZYQBOSA-N 2 0 266.292 -0.744 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000627103890 356583386 /nfs/dbraw/zinc/58/33/86/356583386.db2.gz XHMONIPXQNPDIK-LBPRGKRZSA-N 2 0 288.392 -0.758 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000627103941 356583711 /nfs/dbraw/zinc/58/37/11/356583711.db2.gz XWZKPBWHVCBKOJ-SRVKXCTJSA-N 2 0 270.377 -0.520 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000627103303 356583773 /nfs/dbraw/zinc/58/37/73/356583773.db2.gz OQBJKHANRRPYKF-QWRGUYRKSA-N 2 0 258.366 -0.351 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000627103448 356583776 /nfs/dbraw/zinc/58/37/76/356583776.db2.gz SDFGPGQJYUCBEL-NWDGAFQWSA-N 2 0 270.377 -0.242 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC1(C[NH3+])CCOCC1 ZINC000627108470 356584711 /nfs/dbraw/zinc/58/47/11/356584711.db2.gz VAYRTZNSAHRZHO-UWVGGRQHSA-N 2 0 258.366 -0.081 20 0 CBADRP C[NH2+]CCOCCNC(=O)NCCC1CC[NH2+]CC1 ZINC000627110820 356585205 /nfs/dbraw/zinc/58/52/05/356585205.db2.gz IDZRNSYMZCYOCB-UHFFFAOYSA-N 2 0 272.393 -0.089 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627110890 356585561 /nfs/dbraw/zinc/58/55/61/356585561.db2.gz JKGOJOBJBRGJDS-UTUOFQBUSA-N 2 0 270.377 -0.386 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000627116194 356586179 /nfs/dbraw/zinc/58/61/79/356586179.db2.gz GPQWVEZHHSXZKU-CHWSQXEVSA-N 2 0 282.388 -0.099 20 0 CBADRP CCO[C@@H]1CN(C(=O)NCCOCCC[NH3+])C[C@H]1C[NH3+] ZINC000627219085 356608440 /nfs/dbraw/zinc/60/84/40/356608440.db2.gz OYEMKVIICBRHME-VXGBXAGGSA-N 2 0 288.392 -0.643 20 0 CBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCCOCCC[NH3+] ZINC000627218675 356608447 /nfs/dbraw/zinc/60/84/47/356608447.db2.gz CIGPPNFMSIUWOJ-GHMZBOCLSA-N 2 0 258.366 -0.270 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627219282 356608899 /nfs/dbraw/zinc/60/88/99/356608899.db2.gz UIARZILUWSRJFD-WDEREUQCSA-N 2 0 258.366 -0.270 20 0 CBADRP C[C@@]1(C[NH3+])CCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627219267 356608976 /nfs/dbraw/zinc/60/89/76/356608976.db2.gz UEIYTIAUXSVPTE-LBPRGKRZSA-N 2 0 258.366 -0.268 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627219279 356608989 /nfs/dbraw/zinc/60/89/89/356608989.db2.gz UIARZILUWSRJFD-MNOVXSKESA-N 2 0 258.366 -0.270 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000627245726 356611053 /nfs/dbraw/zinc/61/10/53/356611053.db2.gz GEBKUHGXWXYTST-VHSXEESVSA-N 2 0 256.350 -0.456 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000627244933 356611289 /nfs/dbraw/zinc/61/12/89/356611289.db2.gz AKHLYZZTZZOSMT-RWMBFGLXSA-N 2 0 284.404 -0.117 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627252117 356613819 /nfs/dbraw/zinc/61/38/19/356613819.db2.gz LKICURDJCQDPFL-NEPJUHHUSA-N 2 0 297.403 -0.623 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627252285 356613864 /nfs/dbraw/zinc/61/38/64/356613864.db2.gz PNASUVPMJIWYMP-UPJWGTAASA-N 2 0 282.388 -0.114 20 0 CBADRP [NH3+]CCCOC1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627252470 356614076 /nfs/dbraw/zinc/61/40/76/356614076.db2.gz VRCWBUMSVCDTNN-LLVKDONJSA-N 2 0 270.377 -0.112 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627187533 356598370 /nfs/dbraw/zinc/59/83/70/356598370.db2.gz GKBWMLSGTOUICV-LBPRGKRZSA-N 2 0 272.393 -0.044 20 0 CBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627190303 356600863 /nfs/dbraw/zinc/60/08/63/356600863.db2.gz FBXHDHYETWFMFI-NWDGAFQWSA-N 2 0 272.393 -0.010 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627190601 356601063 /nfs/dbraw/zinc/60/10/63/356601063.db2.gz BCWGKXUCMPZDCO-NEPJUHHUSA-N 2 0 270.377 -0.386 20 0 CBADRP C[C@@H]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000627191301 356602147 /nfs/dbraw/zinc/60/21/47/356602147.db2.gz OEMSXTUMKHZRFN-UTUOFQBUSA-N 2 0 270.377 -0.256 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCN([C@H]2CCOC2)CC1 ZINC000627191544 356602414 /nfs/dbraw/zinc/60/24/14/356602414.db2.gz SHOHIBGABWASIA-OLZOCXBDSA-N 2 0 298.387 -0.909 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)NCC2(O)CC[NH+](C)CC2)C[NH2+]1 ZINC000627198114 356604141 /nfs/dbraw/zinc/60/41/41/356604141.db2.gz IQQXFDCSOSUZLZ-NEPJUHHUSA-N 2 0 284.404 -0.117 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C[NH2+]1 ZINC000627207728 356605122 /nfs/dbraw/zinc/60/51/22/356605122.db2.gz DELPIAAWEXTADZ-GRYCIOLGSA-N 2 0 270.377 -0.507 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)N2CCO[C@H](C[NH3+])C2)C[NH2+]1 ZINC000627205978 356605192 /nfs/dbraw/zinc/60/51/92/356605192.db2.gz FYZQWTWBLCYZIK-GMTAPVOTSA-N 2 0 256.350 -0.504 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CCO1 ZINC000627207767 356605256 /nfs/dbraw/zinc/60/52/56/356605256.db2.gz TZIUYGIDSJJFSL-WISYIIOYSA-N 2 0 270.377 -0.116 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)N(C)CCOCC[NH3+])C[NH2+]1 ZINC000627208304 356605866 /nfs/dbraw/zinc/60/58/66/356605866.db2.gz HRHWIHSWTOUEBL-GHMZBOCLSA-N 2 0 258.366 -0.256 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)NC2(C[NH3+])CCOCC2)C[NH2+]1 ZINC000627208339 356605994 /nfs/dbraw/zinc/60/59/94/356605994.db2.gz IRNVXPVGEMPEQW-QWRGUYRKSA-N 2 0 270.377 -0.066 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C[NH2+]1 ZINC000627210985 356606028 /nfs/dbraw/zinc/60/60/28/356606028.db2.gz YUORTGATFPCLRQ-MNOVXSKESA-N 2 0 268.361 -0.489 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)N(C)CCOCC[NH3+])C[NH2+]1 ZINC000627208306 356606130 /nfs/dbraw/zinc/60/61/30/356606130.db2.gz HRHWIHSWTOUEBL-QWRGUYRKSA-N 2 0 258.366 -0.256 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000627349572 356630301 /nfs/dbraw/zinc/63/03/01/356630301.db2.gz SCPYJLAAXYTQPN-JQWIXIFHSA-N 2 0 282.388 -0.608 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627365204 356632555 /nfs/dbraw/zinc/63/25/55/356632555.db2.gz IQKKNYZHMQMKBQ-SDDRHHMPSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)C(C)(C)C[NH+](C)C ZINC000627369114 356634242 /nfs/dbraw/zinc/63/42/42/356634242.db2.gz KZZZRYGUXVYTAC-SDDRHHMPSA-N 2 0 298.431 -0.055 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000627294468 356621002 /nfs/dbraw/zinc/62/10/02/356621002.db2.gz BEEQCYDQAZGESR-LLVKDONJSA-N 2 0 272.393 -0.360 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627293195 356621068 /nfs/dbraw/zinc/62/10/68/356621068.db2.gz NJQZQEYVLGNVJD-WCQYABFASA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627291071 356621120 /nfs/dbraw/zinc/62/11/20/356621120.db2.gz JMGUDLDLABAJHE-LBPRGKRZSA-N 2 0 294.399 -0.402 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627308445 356624015 /nfs/dbraw/zinc/62/40/15/356624015.db2.gz PTTKCVVWCHWARS-VXGBXAGGSA-N 2 0 282.388 -0.687 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627320654 356625561 /nfs/dbraw/zinc/62/55/61/356625561.db2.gz KFIKFNYNNYEPOJ-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000627319224 356625744 /nfs/dbraw/zinc/62/57/44/356625744.db2.gz NGGPRQCMRDUMKG-UHFFFAOYSA-N 2 0 256.350 -0.996 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000627325320 356625797 /nfs/dbraw/zinc/62/57/97/356625797.db2.gz FQHYWTMFWCOKDX-SNVBAGLBSA-N 2 0 258.366 -0.750 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000627325578 356626604 /nfs/dbraw/zinc/62/66/04/356626604.db2.gz ODORIYXNROOIPD-HOSYDEDBSA-N 2 0 280.372 -0.794 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627333043 356627491 /nfs/dbraw/zinc/62/74/91/356627491.db2.gz RWKFUSXVORHDAS-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627340554 356628494 /nfs/dbraw/zinc/62/84/94/356628494.db2.gz LLNRFKLDNJXKEM-CYBMUJFWSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000627421541 356643727 /nfs/dbraw/zinc/64/37/27/356643727.db2.gz MHJSSWSVOQJAAG-YWPUVAFDSA-N 2 0 296.415 -0.158 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000627428964 356645251 /nfs/dbraw/zinc/64/52/51/356645251.db2.gz TWGPGXVXDZJOKC-XQQFMLRXSA-N 2 0 296.415 -0.156 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2CC)C1 ZINC000627428496 356645873 /nfs/dbraw/zinc/64/58/73/356645873.db2.gz HJURYDLFIBJUDE-FRRDWIJNSA-N 2 0 296.415 -0.156 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N(CC)CC[NH3+] ZINC000627392952 356638121 /nfs/dbraw/zinc/63/81/21/356638121.db2.gz KLHGOHGLKVGULL-UHFFFAOYSA-N 2 0 272.393 -0.358 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627504052 356660361 /nfs/dbraw/zinc/66/03/61/356660361.db2.gz RUUCOIJOHTVNJN-VXGBXAGGSA-N 2 0 282.388 -0.594 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627478479 356653557 /nfs/dbraw/zinc/65/35/57/356653557.db2.gz NKKLEVUOPMKCTN-YNEHKIRRSA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627499932 356657993 /nfs/dbraw/zinc/65/79/93/356657993.db2.gz GOQLSSNGLNEYMQ-WCQYABFASA-N 2 0 296.415 -0.158 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627501218 356658373 /nfs/dbraw/zinc/65/83/73/356658373.db2.gz BAIRRUULSYHYNV-RWMBFGLXSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000627502952 356658763 /nfs/dbraw/zinc/65/87/63/356658763.db2.gz UJRNJJNUSPKACK-WUHRBBMRSA-N 2 0 296.415 -0.348 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000627501736 356659230 /nfs/dbraw/zinc/65/92/30/356659230.db2.gz WCOGRQOPSXXEHW-WCQYABFASA-N 2 0 296.415 -0.347 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627503867 356659620 /nfs/dbraw/zinc/65/96/20/356659620.db2.gz GZLPOZTUZXKNEH-LLVKDONJSA-N 2 0 268.361 -0.981 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@H](C)C1 ZINC000627503963 356659672 /nfs/dbraw/zinc/65/96/72/356659672.db2.gz MWJJPCOUFHHCEY-YNEHKIRRSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH2+]CCOCC[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000629531268 356776680 /nfs/dbraw/zinc/77/66/80/356776680.db2.gz GBGDBDFFDYDGJO-QWHCGFSZSA-N 2 0 257.378 -0.421 20 0 CBADRP O=C(CN1CCC[C@@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC000629537135 356777278 /nfs/dbraw/zinc/77/72/78/356777278.db2.gz MONVESVCGFUETQ-AWEZNQCLSA-N 2 0 267.373 -0.079 20 0 CBADRP NC(=O)C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000629545441 356778071 /nfs/dbraw/zinc/77/80/71/356778071.db2.gz MIDTZDUSIWXCFA-YVECIDJPSA-N 2 0 267.373 -0.049 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+](C)C ZINC000629173388 356752148 /nfs/dbraw/zinc/75/21/48/356752148.db2.gz PLNVMMMDVUDZLY-NEPJUHHUSA-N 2 0 257.378 -0.245 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629172068 356752284 /nfs/dbraw/zinc/75/22/84/356752284.db2.gz PZYAUENMMSVAHY-LLVKDONJSA-N 2 0 278.356 -0.056 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000629567037 356780338 /nfs/dbraw/zinc/78/03/38/356780338.db2.gz MQDSHXPNZSFMPN-OLZOCXBDSA-N 2 0 287.404 -0.162 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)CCCN1CCOCC1 ZINC000629570128 356780443 /nfs/dbraw/zinc/78/04/43/356780443.db2.gz IKAUNPZAGPWUTQ-UHFFFAOYSA-N 2 0 259.394 -0.124 20 0 CBADRP C[NH2+]CCOCC[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000629404173 356772880 /nfs/dbraw/zinc/77/28/80/356772880.db2.gz LFHVLBVSGAMHML-UHFFFAOYSA-N 2 0 272.393 -0.042 20 0 CBADRP c1cnc(N2CC[NH+](CC3CC[NH2+]CC3)CC2)nn1 ZINC000629497198 356774637 /nfs/dbraw/zinc/77/46/37/356774637.db2.gz WYAVEKGFYXOCDV-UHFFFAOYSA-N 2 0 262.361 -0.007 20 0 CBADRP C[NH2+]CCOCC[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000629531269 356776553 /nfs/dbraw/zinc/77/65/53/356776553.db2.gz GBGDBDFFDYDGJO-STQMWFEESA-N 2 0 257.378 -0.421 20 0 CBADRP CO[C@H]1C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000629614050 356788064 /nfs/dbraw/zinc/78/80/64/356788064.db2.gz XHPLSSCWBRCWHE-JHJVBQTASA-N 2 0 257.378 -0.638 20 0 CBADRP CCOC[C@H]1C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000629656291 356788696 /nfs/dbraw/zinc/78/86/96/356788696.db2.gz PCJBBXBJILUMHK-ZIAGYGMSSA-N 2 0 299.415 -0.079 20 0 CBADRP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)CN1 ZINC000629660334 356788874 /nfs/dbraw/zinc/78/88/74/356788874.db2.gz RWEATNOJVIGUJN-JHJVBQTASA-N 2 0 268.405 -0.086 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000629794970 356793290 /nfs/dbraw/zinc/79/32/90/356793290.db2.gz XJQLMASEBHVKMN-ZDUSSCGKSA-N 2 0 296.415 -0.120 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000629788712 356793341 /nfs/dbraw/zinc/79/33/41/356793341.db2.gz STZCVYVXHZHOLC-UHFFFAOYSA-N 2 0 296.415 -0.120 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000629794742 356793641 /nfs/dbraw/zinc/79/36/41/356793641.db2.gz CQRBRVBJOWTRLI-LLVKDONJSA-N 2 0 270.377 -0.654 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000629795092 356794261 /nfs/dbraw/zinc/79/42/61/356794261.db2.gz GKHRBGHMWBUQKS-ZDUSSCGKSA-N 2 0 296.415 -0.120 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000629804875 356797073 /nfs/dbraw/zinc/79/70/73/356797073.db2.gz VXNAOHUGQZOJPZ-LBPRGKRZSA-N 2 0 284.404 -0.265 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000629810929 356798313 /nfs/dbraw/zinc/79/83/13/356798313.db2.gz FGZSEGLTNJQDTD-CYBMUJFWSA-N 2 0 298.431 -0.147 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000629812152 356798710 /nfs/dbraw/zinc/79/87/10/356798710.db2.gz MXQOFIPLGDRAJL-HNNXBMFYSA-N 2 0 296.415 -0.262 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000629913375 356805669 /nfs/dbraw/zinc/80/56/69/356805669.db2.gz JIGWNAFJOSITFA-NWDGAFQWSA-N 2 0 255.362 -0.347 20 0 CBADRP C[NH+](C)CCCCC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629912968 356805976 /nfs/dbraw/zinc/80/59/76/356805976.db2.gz DATGKJAMNWYJRC-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP O=C1CCC[C@@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)N1 ZINC000629579432 356782708 /nfs/dbraw/zinc/78/27/08/356782708.db2.gz NHHVMZYKXJMGMB-NWDGAFQWSA-N 2 0 255.362 -0.299 20 0 CBADRP C[C@@H](C(=O)NCC(F)(F)F)[N@H+](C)CCOCC[NH3+] ZINC000629578533 356782729 /nfs/dbraw/zinc/78/27/29/356782729.db2.gz QAVYLJPBJYVARB-QMMMGPOBSA-N 2 0 271.283 -0.040 20 0 CBADRP CC[C@@H](C(=O)N(C)CC(=O)N1CC[NH2+]CC1)[NH+](C)C ZINC000629597245 356784988 /nfs/dbraw/zinc/78/49/88/356784988.db2.gz HPFCJWRUXJRUBZ-NSHDSACASA-N 2 0 270.377 -0.783 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCc1cn[nH]n1 ZINC000630931614 356868427 /nfs/dbraw/zinc/86/84/27/356868427.db2.gz SPUFDXVEXFKGOX-UHFFFAOYSA-N 2 0 282.392 -0.311 20 0 CBADRP CC[C@@H]1C[N@H+](C)CCCN1c1nc(N)[nH+]c(N)n1 ZINC000631356358 356885863 /nfs/dbraw/zinc/88/58/63/356885863.db2.gz VXXGQOIVPFLOST-MRVPVSSYSA-N 2 0 251.338 -0.383 20 0 CBADRP CC[C@H]1C[N@H+](C)CCCN1c1nc(N)[nH+]c(N)n1 ZINC000631356359 356885883 /nfs/dbraw/zinc/88/58/83/356885883.db2.gz VXXGQOIVPFLOST-QMMMGPOBSA-N 2 0 251.338 -0.383 20 0 CBADRP [NH3+]C1CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000630343877 356835878 /nfs/dbraw/zinc/83/58/78/356835878.db2.gz UZONQSXWFYGBNN-UHFFFAOYSA-N 2 0 270.377 -0.159 20 0 CBADRP CO[C@@H]1CN(S(=O)(=O)CCC[NH+](C)C)[C@@](C)(C[NH3+])C1 ZINC000630369254 356839756 /nfs/dbraw/zinc/83/97/56/356839756.db2.gz WEWMQBAVIBLYEB-NWDGAFQWSA-N 2 0 293.433 -0.294 20 0 CBADRP O=C(NCCC[NH+]1CCCC1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000630396469 356842732 /nfs/dbraw/zinc/84/27/32/356842732.db2.gz IRPYBHYDTUVXES-CYBMUJFWSA-N 2 0 284.404 -0.162 20 0 CBADRP C[NH+](C)CCNC(=O)[C@@H]1CC[C@@H]1C(=O)NCC[NH+](C)C ZINC000630409470 356844845 /nfs/dbraw/zinc/84/48/45/356844845.db2.gz SHGDNYXPDASEGN-TXEJJXNPSA-N 2 0 284.404 -0.632 20 0 CBADRP C[NH+](C)CCNC(=O)[C@@H]1CC[C@H]1C(=O)NCC[NH+](C)C ZINC000630409471 356844944 /nfs/dbraw/zinc/84/49/44/356844944.db2.gz SHGDNYXPDASEGN-VXGBXAGGSA-N 2 0 284.404 -0.632 20 0 CBADRP CC(C)C[N@H+](CCN(C)C)CCn1cc([C@@H]([NH3+])CO)nn1 ZINC000630610868 356855485 /nfs/dbraw/zinc/85/54/85/356855485.db2.gz RXHFHZLBZVPJNM-ZDUSSCGKSA-N 2 0 298.435 -0.210 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCc2ncnn21 ZINC000631822120 356908714 /nfs/dbraw/zinc/90/87/14/356908714.db2.gz TXLCJPRVRYKEBJ-LBPRGKRZSA-N 2 0 264.377 -0.398 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1CCc2ncnn21 ZINC000631822119 356908878 /nfs/dbraw/zinc/90/88/78/356908878.db2.gz TXLCJPRVRYKEBJ-GFCCVEGCSA-N 2 0 264.377 -0.398 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631821154 356908902 /nfs/dbraw/zinc/90/89/02/356908902.db2.gz QJDMEDXJEDLFEO-NWDGAFQWSA-N 2 0 292.387 -0.448 20 0 CBADRP [NH3+]CC1(O)CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000631828683 356909831 /nfs/dbraw/zinc/90/98/31/356909831.db2.gz VMNMCNMZGZZZTA-LBPRGKRZSA-N 2 0 267.373 -0.075 20 0 CBADRP C(CN1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC000631891029 356916698 /nfs/dbraw/zinc/91/66/98/356916698.db2.gz XKZQHBNOWIIGMQ-KGLIPLIRSA-N 2 0 252.406 -0.035 20 0 CBADRP [NH3+]C[C@@H]1CCCCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631901948 356917884 /nfs/dbraw/zinc/91/78/84/356917884.db2.gz CMRCLWIRPMXHFM-WDEREUQCSA-N 2 0 277.390 -0.882 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631901736 356918226 /nfs/dbraw/zinc/91/82/26/356918226.db2.gz MRGPRRJLRPWLEO-QJPTWQEYSA-N 2 0 291.417 -0.494 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCCC[C@H]1C[NH3+] ZINC000631902114 356918568 /nfs/dbraw/zinc/91/85/68/356918568.db2.gz FIVDQZRLZDRNFX-LBPRGKRZSA-N 2 0 290.433 -0.272 20 0 CBADRP C[C@@H](C[NH3+])N(C)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631904178 356919382 /nfs/dbraw/zinc/91/93/82/356919382.db2.gz GRRYWJJCFGZGSB-VIFPVBQESA-N 2 0 264.395 -0.806 20 0 CBADRP CC(C)[NH2+]CCCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631903491 356919727 /nfs/dbraw/zinc/91/97/27/356919727.db2.gz KGCOEIJEOMHKLA-LLVKDONJSA-N 2 0 279.406 -0.718 20 0 CBADRP CN(CCC[NH3+])S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631905239 356920707 /nfs/dbraw/zinc/92/07/07/356920707.db2.gz IJSXKQZYURWFKJ-UHFFFAOYSA-N 2 0 292.449 -0.766 20 0 CBADRP CCCC[C@@H](C[NH3+])NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631907144 356921164 /nfs/dbraw/zinc/92/11/64/356921164.db2.gz DVKVNUCTIJKLJJ-QWRGUYRKSA-N 2 0 279.406 -0.588 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H](C[NH3+])C1CC1 ZINC000631906321 356921439 /nfs/dbraw/zinc/92/14/39/356921439.db2.gz JFSGVJNABFLSCM-NSHDSACASA-N 2 0 276.406 -0.758 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCC1([NH3+])CCC1 ZINC000631930222 356924734 /nfs/dbraw/zinc/92/47/34/356924734.db2.gz ZZZUHGPSNMPZDR-UHFFFAOYSA-N 2 0 276.406 -0.614 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631930649 356925479 /nfs/dbraw/zinc/92/54/79/356925479.db2.gz SYIZNPLMHYALEK-GMTAPVOTSA-N 2 0 277.390 -0.836 20 0 CBADRP C[NH2+][C@H]1CCCN(S(=O)(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000631933600 356926133 /nfs/dbraw/zinc/92/61/33/356926133.db2.gz GWPNNUHNZJEDLG-NSHDSACASA-N 2 0 290.433 -0.401 20 0 CBADRP CC1(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[NH2+]CC1 ZINC000631933691 356926224 /nfs/dbraw/zinc/92/62/24/356926224.db2.gz RUAVBPVVAXPOTF-LLVKDONJSA-N 2 0 291.417 -0.716 20 0 CBADRP CC[C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000631932630 356926363 /nfs/dbraw/zinc/92/63/63/356926363.db2.gz WZNKVSUWIDYTHP-IJLUTSLNSA-N 2 0 291.417 -0.636 20 0 CBADRP O=S(=O)(CCC[NH+]1CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000631933945 356927414 /nfs/dbraw/zinc/92/74/14/356927414.db2.gz MDXHFDUXXXJPLU-BETUJISGSA-N 2 0 287.429 -0.047 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@H]1CCC[NH2+]CC1 ZINC000631934990 356927465 /nfs/dbraw/zinc/92/74/65/356927465.db2.gz OQDHNNZQYBZFDY-QWRGUYRKSA-N 2 0 277.390 -0.964 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000631938960 356928746 /nfs/dbraw/zinc/92/87/46/356928746.db2.gz PSYDGNQMSBOMLJ-VXGBXAGGSA-N 2 0 275.418 -0.048 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000631938957 356928827 /nfs/dbraw/zinc/92/88/27/356928827.db2.gz PSYDGNQMSBOMLJ-NEPJUHHUSA-N 2 0 275.418 -0.048 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631942107 356929729 /nfs/dbraw/zinc/92/97/29/356929729.db2.gz PNOOUZHAXNLLSY-GMTAPVOTSA-N 2 0 277.390 -0.978 20 0 CBADRP CC[C@H]([NH3+])CNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631940488 356929821 /nfs/dbraw/zinc/92/98/21/356929821.db2.gz YKHUYLYVTAEEBE-LBPRGKRZSA-N 2 0 292.449 -0.719 20 0 CBADRP C[NH2+]CCCN(C)S(=O)(=O)CCC[NH+](C)C ZINC000631944824 356930483 /nfs/dbraw/zinc/93/04/83/356930483.db2.gz IRBVZRJUNJOOTI-UHFFFAOYSA-N 2 0 251.396 -0.191 20 0 CBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCCC1CC[NH2+]CC1 ZINC000631948301 356931161 /nfs/dbraw/zinc/93/11/61/356931161.db2.gz CCUPNFYSTZDGHH-GFCCVEGCSA-N 2 0 291.417 -0.716 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)CCC[NH+](C)C ZINC000631946974 356931294 /nfs/dbraw/zinc/93/12/94/356931294.db2.gz PRYLMOGLUIPSMZ-VHSXEESVSA-N 2 0 251.396 -0.017 20 0 CBADRP C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631947076 356931326 /nfs/dbraw/zinc/93/13/26/356931326.db2.gz TZDNTSVNGOVRTG-ZJUUUORDSA-N 2 0 278.422 -0.370 20 0 CBADRP C[C@@H]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)[C@H](C[NH3+])C1 ZINC000631951357 356931997 /nfs/dbraw/zinc/93/19/97/356931997.db2.gz GBVJORGXPZEXHF-WOPDTQHZSA-N 2 0 291.417 -0.636 20 0 CBADRP C[NH2+]C[C@@H](C)NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631952606 356932620 /nfs/dbraw/zinc/93/26/20/356932620.db2.gz NISHOGOBXZEJIG-SECBINFHSA-N 2 0 264.395 -0.888 20 0 CBADRP CN(CCOCC[NH3+])S(=O)(=O)CCC[NH+]1CCCC1 ZINC000631954999 356934111 /nfs/dbraw/zinc/93/41/11/356934111.db2.gz CCIQLPGLPUFDQP-UHFFFAOYSA-N 2 0 293.433 -0.291 20 0 CBADRP C[C@H]1CC[C@@H](NS(=O)(=O)CCC[NH+](C)C)C[NH2+]1 ZINC000631955244 356934978 /nfs/dbraw/zinc/93/49/78/356934978.db2.gz GYPMEDPZUPGPDH-WDEREUQCSA-N 2 0 263.407 -0.002 20 0 CBADRP C[C@@H]1CC[C@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C[NH2+]1 ZINC000631955150 356935015 /nfs/dbraw/zinc/93/50/15/356935015.db2.gz FJRBWKGRKWTIQN-VWYCJHECSA-N 2 0 277.390 -0.965 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NCCOCCC[NH3+] ZINC000631955426 356935086 /nfs/dbraw/zinc/93/50/86/356935086.db2.gz JWRIYWQBBJEUTH-UHFFFAOYSA-N 2 0 267.395 -0.777 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)N(C)C2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000631966639 356935516 /nfs/dbraw/zinc/93/55/16/356935516.db2.gz VNEOUJQWQDSDMN-GHMZBOCLSA-N 2 0 290.433 -0.558 20 0 CBADRP [NH3+][C@H]1CCCCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631962180 356936051 /nfs/dbraw/zinc/93/60/51/356936051.db2.gz DZCFCJXVKXIRBC-NWDGAFQWSA-N 2 0 291.417 -0.492 20 0 CBADRP CNS(=O)(=O)CCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000631708720 356901926 /nfs/dbraw/zinc/90/19/26/356901926.db2.gz GMYYBJLLRLKRGI-MNOVXSKESA-N 2 0 263.407 -0.002 20 0 CBADRP C[C@@H](CNS(=O)(=O)C[C@@H]1CN(C)CCO1)[NH+](C)C ZINC000632417861 356986386 /nfs/dbraw/zinc/98/63/86/356986386.db2.gz PDUWTCSSAPAUCZ-QWRGUYRKSA-N 2 0 279.406 -0.814 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000632431083 356988102 /nfs/dbraw/zinc/98/81/02/356988102.db2.gz RAOYISBPVGENAL-NSHDSACASA-N 2 0 263.407 -0.191 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NC[C@](C)(O)C[NH+](C)C)cn1 ZINC000632072133 356949419 /nfs/dbraw/zinc/94/94/19/356949419.db2.gz WNAZSGPLHAIQGL-AWEZNQCLSA-N 2 0 297.403 -0.513 20 0 CBADRP CC1(OCC(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)C[NH2+]C1 ZINC000632862683 357028770 /nfs/dbraw/zinc/02/87/70/357028770.db2.gz UOLRNTYMBIRZDT-VXGBXAGGSA-N 2 0 267.373 -0.035 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633079330 357041126 /nfs/dbraw/zinc/04/11/26/357041126.db2.gz VYDKBLRBEMKJGQ-GFCCVEGCSA-N 2 0 284.404 -0.264 20 0 CBADRP CN(C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000633088180 357042183 /nfs/dbraw/zinc/04/21/83/357042183.db2.gz DASZXPURIGCMQH-UHTWSYAYSA-N 2 0 292.383 -0.746 20 0 CBADRP CN(C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000633088179 357042448 /nfs/dbraw/zinc/04/24/48/357042448.db2.gz DASZXPURIGCMQH-DRZSPHRISA-N 2 0 292.383 -0.746 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633095635 357044816 /nfs/dbraw/zinc/04/48/16/357044816.db2.gz XLGHTZLCOAMJGT-ZDEQEGDKSA-N 2 0 294.399 -0.642 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633101478 357045136 /nfs/dbraw/zinc/04/51/36/357045136.db2.gz BSBDOZHBGMZROD-AGIUHOORSA-N 2 0 294.399 -0.452 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633112320 357047764 /nfs/dbraw/zinc/04/77/64/357047764.db2.gz XQZQSVUUPYZOJM-STQMWFEESA-N 2 0 294.399 -0.497 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]21 ZINC000633115085 357048757 /nfs/dbraw/zinc/04/87/57/357048757.db2.gz NAKDAKYDBNTIJA-NDBYEHHHSA-N 2 0 292.383 -0.888 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000633114943 357049017 /nfs/dbraw/zinc/04/90/17/357049017.db2.gz FAJILERLCDINRI-FRRDWIJNSA-N 2 0 296.415 -0.265 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)C1 ZINC000633116098 357049452 /nfs/dbraw/zinc/04/94/52/357049452.db2.gz OXVLGYGTFGCTHO-RWMBFGLXSA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000633116744 357050232 /nfs/dbraw/zinc/05/02/32/357050232.db2.gz WZWLINKEKLXDTQ-AGIUHOORSA-N 2 0 294.399 -0.369 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000633118258 357050313 /nfs/dbraw/zinc/05/03/13/357050313.db2.gz IDVHGVVTCDZLQG-NWDGAFQWSA-N 2 0 296.415 -0.123 20 0 CBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000633120436 357050648 /nfs/dbraw/zinc/05/06/48/357050648.db2.gz ZYIHHJLEPXXASF-UHFFFAOYSA-N 2 0 296.415 -0.249 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)NC[C@@H]1CCCC[NH2+]1 ZINC000634191239 357108765 /nfs/dbraw/zinc/10/87/65/357108765.db2.gz HQRYJYQBRXOLFK-ZDUSSCGKSA-N 2 0 283.420 -0.277 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H]2CCCC[NH2+]2)CCO1 ZINC000634269799 357112755 /nfs/dbraw/zinc/11/27/55/357112755.db2.gz JKOAGXIPLZLBSQ-SRVKXCTJSA-N 2 0 270.377 -0.114 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000633689954 357081149 /nfs/dbraw/zinc/08/11/49/357081149.db2.gz ZKVPVYOJGNRTPQ-FRRDWIJNSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)cn1 ZINC000633697488 357082040 /nfs/dbraw/zinc/08/20/40/357082040.db2.gz FQEDMXSXDOECOO-ZDUSSCGKSA-N 2 0 295.387 -0.759 20 0 CBADRP CCO[C@@H]1COC[C@H]1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000633714046 357082517 /nfs/dbraw/zinc/08/25/17/357082517.db2.gz LMOGPBNENBYPJT-IJLUTSLNSA-N 2 0 286.376 -0.925 20 0 CBADRP [NH3+][C@@H]1CCCCN(CC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)C1=O ZINC000634769192 357133989 /nfs/dbraw/zinc/13/39/89/357133989.db2.gz PQRLPILEDFATSF-JMSVASOKSA-N 2 0 294.399 -0.416 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000634765430 357134048 /nfs/dbraw/zinc/13/40/48/357134048.db2.gz SHLJSHQBDVRPIO-OUAUKWLOSA-N 2 0 255.362 -0.003 20 0 CBADRP O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000634769034 357134067 /nfs/dbraw/zinc/13/40/67/357134067.db2.gz JTUBDKCPDIHMIN-SUNKGSAMSA-N 2 0 290.371 -0.316 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768282 357134152 /nfs/dbraw/zinc/13/41/52/357134152.db2.gz DJUGGYUHHAVANG-XUJVJEKNSA-N 2 0 294.399 -0.497 20 0 CBADRP O=C(N1CC[NH2+]CC1)N1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634997919 357142542 /nfs/dbraw/zinc/14/25/42/357142542.db2.gz WDPGGJQMIPPEER-UHFFFAOYSA-N 2 0 293.415 -0.619 20 0 CBADRP CNS(=O)(=O)CCC[NH2+][C@@H](CCC[NH3+])COC ZINC000635005145 357142638 /nfs/dbraw/zinc/14/26/38/357142638.db2.gz GZAGWFDRVSHPMD-JTQLQIEISA-N 2 0 267.395 -0.731 20 0 CBADRP C[C@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)[NH+](C)C ZINC000635485675 357168479 /nfs/dbraw/zinc/16/84/79/357168479.db2.gz BFQWHVBJIMVIBT-YPMHNXCESA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)[C@H](C)O1 ZINC000634726914 357130080 /nfs/dbraw/zinc/13/00/80/357130080.db2.gz GGGTUJDUAYKOQK-RFGFWPKPSA-N 2 0 271.405 -0.250 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC000635726270 357197508 /nfs/dbraw/zinc/19/75/08/357197508.db2.gz AHABQIPBHHFSLB-LBPRGKRZSA-N 2 0 257.378 -0.243 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000635801562 357209674 /nfs/dbraw/zinc/20/96/74/357209674.db2.gz KEYAPKNKDJYWDZ-ZDUSSCGKSA-N 2 0 255.362 -0.489 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635809506 357211004 /nfs/dbraw/zinc/21/10/04/357211004.db2.gz JTGKLRVDRWBACV-LBPRGKRZSA-N 2 0 257.378 -0.241 20 0 CBADRP C[C@H](C(=O)N[C@@H](CO)C[NH+]1CCCCC1)[NH+](C)C ZINC000635915579 357233138 /nfs/dbraw/zinc/23/31/38/357233138.db2.gz WWOTWGXKTPSDSX-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000635928437 357235615 /nfs/dbraw/zinc/23/56/15/357235615.db2.gz GKHVCKKXIWMIMT-QWHCGFSZSA-N 2 0 281.400 -0.004 20 0 CBADRP C[NH+](C)C[C@@H](CO)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000635929701 357235633 /nfs/dbraw/zinc/23/56/33/357235633.db2.gz XNIMOBMNGWDDQJ-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000636578684 357290522 /nfs/dbraw/zinc/29/05/22/357290522.db2.gz NLODGZOFCIYYIA-IHRRRGAJSA-N 2 0 296.415 -0.021 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000636596608 357291755 /nfs/dbraw/zinc/29/17/55/357291755.db2.gz SUSISALAZONIJA-MELADBBJSA-N 2 0 296.415 -0.021 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000636645207 357295064 /nfs/dbraw/zinc/29/50/64/357295064.db2.gz NSIRXJVMMQXLSI-NEPJUHHUSA-N 2 0 270.377 -0.554 20 0 CBADRP COCC[N@H+](C)CCNC(=O)C(=O)N(C)Cc1ncc[nH]1 ZINC000636661083 357295862 /nfs/dbraw/zinc/29/58/62/357295862.db2.gz DKPMATPWOZCDBG-UHFFFAOYSA-N 2 0 297.359 -0.938 20 0 CBADRP C[C@@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+](C)C1CC1 ZINC000636732861 357298861 /nfs/dbraw/zinc/29/88/61/357298861.db2.gz YBKKNINLVKVGOD-AAEUAGOBSA-N 2 0 284.404 -0.165 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000636791362 357304012 /nfs/dbraw/zinc/30/40/12/357304012.db2.gz VUDAUNYHKSBUSX-WCQYABFASA-N 2 0 282.388 -0.411 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000636820715 357305132 /nfs/dbraw/zinc/30/51/32/357305132.db2.gz ZEIYQGTWTAIWHE-ZIAGYGMSSA-N 2 0 296.415 -0.164 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000636844694 357307107 /nfs/dbraw/zinc/30/71/07/357307107.db2.gz KYQFEQASYFSJQW-JHJVBQTASA-N 2 0 284.404 -0.165 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636181463 357269418 /nfs/dbraw/zinc/26/94/18/357269418.db2.gz DEJBLLZDTOWSEH-CYBMUJFWSA-N 2 0 298.431 -0.193 20 0 CBADRP C[C@H](C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[NH+](C)C ZINC000636229726 357272712 /nfs/dbraw/zinc/27/27/12/357272712.db2.gz PGQSSNRMDSLEIF-YPMHNXCESA-N 2 0 269.389 -0.006 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCCN1CC[NH2+]CC1 ZINC000637812112 357369874 /nfs/dbraw/zinc/36/98/74/357369874.db2.gz WRZVNESRGAEZET-UHFFFAOYSA-N 2 0 298.431 -0.634 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000637812901 357370010 /nfs/dbraw/zinc/37/00/10/357370010.db2.gz ZQHRSMYJVKAULA-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000637820852 357370447 /nfs/dbraw/zinc/37/04/47/357370447.db2.gz JQWVOTXAZBISST-STQMWFEESA-N 2 0 296.415 -0.358 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000637820850 357370795 /nfs/dbraw/zinc/37/07/95/357370795.db2.gz JQWVOTXAZBISST-OLZOCXBDSA-N 2 0 296.415 -0.358 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000637818110 357370976 /nfs/dbraw/zinc/37/09/76/357370976.db2.gz AJXYJGAHCBOSNJ-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000637820349 357371044 /nfs/dbraw/zinc/37/10/44/357371044.db2.gz DBIJTCIKDISCQO-GFCCVEGCSA-N 2 0 296.415 -0.358 20 0 CBADRP C[NH2+]CCNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637825096 357371369 /nfs/dbraw/zinc/37/13/69/357371369.db2.gz VIZXIRPANJMDPD-ZDUSSCGKSA-N 2 0 264.373 -0.219 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000637822395 357371416 /nfs/dbraw/zinc/37/14/16/357371416.db2.gz KGBKZQLKHHTPOY-ZDUSSCGKSA-N 2 0 287.404 -0.222 20 0 CBADRP C[NH2+]CCNC(=O)[C@@H]([NH3+])Cc1cccc(OC)c1 ZINC000637823459 357371799 /nfs/dbraw/zinc/37/17/99/357371799.db2.gz FSYLXEKKPMRJPF-LBPRGKRZSA-N 2 0 251.330 -0.099 20 0 CBADRP CC[C@@H](C(=O)N(C)CCN1CC[NH2+]CC1)[NH+](C)C ZINC000637831667 357372615 /nfs/dbraw/zinc/37/26/15/357372615.db2.gz BHRXVWQUZAKTHH-LBPRGKRZSA-N 2 0 256.394 -0.310 20 0 CBADRP CCCN(C(=O)CN1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000637832399 357372681 /nfs/dbraw/zinc/37/26/81/357372681.db2.gz ICNRSYKVLKVPGA-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000637832005 357372790 /nfs/dbraw/zinc/37/27/90/357372790.db2.gz DRRZDWQQUJRTPE-NTZNESFSSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000637830093 357373096 /nfs/dbraw/zinc/37/30/96/357373096.db2.gz RDEGJMXUVIXENI-GWCFXTLKSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000637835633 357374178 /nfs/dbraw/zinc/37/41/78/357374178.db2.gz OZNQARIAFOBAFM-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)C1 ZINC000637840981 357374495 /nfs/dbraw/zinc/37/44/95/357374495.db2.gz QMXSDGPECLPJNH-ZPFDUUQYSA-N 2 0 255.362 -0.038 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637001079 357316533 /nfs/dbraw/zinc/31/65/33/357316533.db2.gz GLXAKNRFNGPIKP-YPMHNXCESA-N 2 0 272.393 -0.260 20 0 CBADRP CC[NH2+]CC1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000637862328 357378339 /nfs/dbraw/zinc/37/83/39/357378339.db2.gz PKZAOOHOVTWZBT-NWDGAFQWSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000637254430 357335367 /nfs/dbraw/zinc/33/53/67/357335367.db2.gz AKPSTDGGKDJKOJ-XQQFMLRXSA-N 2 0 284.404 -0.308 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000637846788 357376038 /nfs/dbraw/zinc/37/60/38/357376038.db2.gz DIROOWIAXGQERA-GMXVVIOVSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]C[C@H](NC(=O)CN1CC[NH2+]CC1)C1CCCCC1 ZINC000637845502 357376210 /nfs/dbraw/zinc/37/62/10/357376210.db2.gz PUAZYMWKFGBEBW-ZDUSSCGKSA-N 2 0 268.405 -0.085 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000637403003 357344096 /nfs/dbraw/zinc/34/40/96/357344096.db2.gz GTVUYQRONZBILD-HAQNSBGRSA-N 2 0 299.419 -0.615 20 0 CBADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)CN1CC[NH2+]CC1 ZINC000637848894 357376449 /nfs/dbraw/zinc/37/64/49/357376449.db2.gz LKHLOWZIUHTJFG-ZDUSSCGKSA-N 2 0 256.394 -0.229 20 0 CBADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[NH2+]CC1 ZINC000637800390 357365196 /nfs/dbraw/zinc/36/51/96/357365196.db2.gz DIZKCOIYAXRHMS-CQSZACIVSA-N 2 0 276.384 -0.123 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000637800118 357365301 /nfs/dbraw/zinc/36/53/01/357365301.db2.gz YKFZTXDUSZDKJB-YPMHNXCESA-N 2 0 255.362 -0.177 20 0 CBADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCC[NH3+] ZINC000637798431 357365406 /nfs/dbraw/zinc/36/54/06/357365406.db2.gz YAJHTIHKQVXLOT-LBPRGKRZSA-N 2 0 250.346 -0.479 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000637799297 357365429 /nfs/dbraw/zinc/36/54/29/357365429.db2.gz XHSUTTGOZLUFEN-TZMCWYRMSA-N 2 0 284.404 -0.835 20 0 CBADRP COC[C@]1(C(=O)N2CCC[NH2+]CC2)CCCC[NH2+]1 ZINC000637804190 357366366 /nfs/dbraw/zinc/36/63/66/357366366.db2.gz VLDXUWASNCFBBT-ZDUSSCGKSA-N 2 0 255.362 -0.033 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)[C@]2(COC)CCCC[NH2+]2)C1 ZINC000637802527 357366774 /nfs/dbraw/zinc/36/67/74/357366774.db2.gz SEXQKXSAUFRLJB-WCQYABFASA-N 2 0 255.362 -0.035 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000637805277 357367623 /nfs/dbraw/zinc/36/76/23/357367623.db2.gz XJMSTILIIKWBQO-YPMHNXCESA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[NH2+]C2)cn1 ZINC000637811369 357368805 /nfs/dbraw/zinc/36/88/05/357368805.db2.gz KETVKSGJFJKMIF-LLVKDONJSA-N 2 0 251.334 -0.464 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000637809906 357368867 /nfs/dbraw/zinc/36/88/67/357368867.db2.gz HOKGDUCZTZCJSH-LBPRGKRZSA-N 2 0 282.388 -0.639 20 0 CBADRP CC1(C)CN(C(=O)N[C@@H]2CCC[NH2+]C2)CC[N@@H+]1CCO ZINC000638006841 357398773 /nfs/dbraw/zinc/39/87/73/357398773.db2.gz UOHCQEAGFVGJBV-GFCCVEGCSA-N 2 0 284.404 -0.164 20 0 CBADRP CC1(C)CN(C(=O)N[C@H]2CCC[NH2+]C2)CC[N@@H+]1CCO ZINC000638006842 357399022 /nfs/dbraw/zinc/39/90/22/357399022.db2.gz UOHCQEAGFVGJBV-LBPRGKRZSA-N 2 0 284.404 -0.164 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC[NH+]2CCCC2)C1 ZINC000638055191 357406742 /nfs/dbraw/zinc/40/67/42/357406742.db2.gz GKCPIHSBAVAIAE-DGCLKSJQSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@H]1C[NH+](CCCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC000638060727 357407133 /nfs/dbraw/zinc/40/71/33/357407133.db2.gz PPIZMTZYLKORQI-ZDEQEGDKSA-N 2 0 285.388 -0.282 20 0 CBADRP C[NH+](C)[C@@]1(CNC(=O)[C@]2(C)C[NH2+]CCO2)CCSC1 ZINC000638068684 357408739 /nfs/dbraw/zinc/40/87/39/357408739.db2.gz KMJIBTOAQJMOGI-QWHCGFSZSA-N 2 0 287.429 -0.082 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)CN2CC[NH2+]CC2)C1 ZINC000638070693 357409499 /nfs/dbraw/zinc/40/94/99/357409499.db2.gz UZZILBGYOBPBTO-CYBMUJFWSA-N 2 0 268.405 -0.260 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638069852 357409597 /nfs/dbraw/zinc/40/95/97/357409597.db2.gz NIMQSFYLTAJANI-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638071131 357409687 /nfs/dbraw/zinc/40/96/87/357409687.db2.gz FOPSMVAZUZMQDN-TZMCWYRMSA-N 2 0 287.404 -0.162 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638071129 357410195 /nfs/dbraw/zinc/41/01/95/357410195.db2.gz FOPSMVAZUZMQDN-JSGCOSHPSA-N 2 0 287.404 -0.162 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000638072270 357410882 /nfs/dbraw/zinc/41/08/82/357410882.db2.gz LWIKYDFWUQBYLY-GMXVVIOVSA-N 2 0 255.362 -0.179 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000638073495 357411234 /nfs/dbraw/zinc/41/12/34/357411234.db2.gz ZGJMYORCVRVNDL-NEPJUHHUSA-N 2 0 253.346 -0.343 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)CN1CC[NH2+]CC1)C1CC1 ZINC000638076806 357412121 /nfs/dbraw/zinc/41/21/21/357412121.db2.gz NCMSCTYVMKEOMP-LBPRGKRZSA-N 2 0 254.378 -0.652 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000638082525 357412237 /nfs/dbraw/zinc/41/22/37/357412237.db2.gz DPJNBXQODCTRKP-CQSZACIVSA-N 2 0 280.416 -0.022 20 0 CBADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638084905 357413685 /nfs/dbraw/zinc/41/36/85/357413685.db2.gz HKDZJTZSTALFTE-AAEUAGOBSA-N 2 0 255.362 -0.177 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638098444 357415916 /nfs/dbraw/zinc/41/59/16/357415916.db2.gz FYOYGTFUXPWQSR-HNNXBMFYSA-N 2 0 299.415 -0.018 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@]1(C)C[NH2+]CCO1)C1CC1 ZINC000638097940 357416162 /nfs/dbraw/zinc/41/61/62/357416162.db2.gz XWLZYGCJDKPKOJ-CYBMUJFWSA-N 2 0 255.362 -0.035 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000638240274 357442590 /nfs/dbraw/zinc/44/25/90/357442590.db2.gz ICUKSNBRNGHDRS-UONOGXRCSA-N 2 0 280.416 -0.166 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638100121 357417301 /nfs/dbraw/zinc/41/73/01/357417301.db2.gz OZJSMKHNKRAHQF-GXTWGEPZSA-N 2 0 285.388 -0.408 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638098887 357417420 /nfs/dbraw/zinc/41/74/20/357417420.db2.gz IMGWIXFLZPVCMN-UHFFFAOYSA-N 2 0 298.431 -0.491 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000638098821 357417619 /nfs/dbraw/zinc/41/76/19/357417619.db2.gz POELJUVIMPPFCA-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638102798 357418289 /nfs/dbraw/zinc/41/82/89/357418289.db2.gz WUJBCYMRRKQDGF-JSGCOSHPSA-N 2 0 285.388 -0.421 20 0 CBADRP C[NH+](C)C1(CNC(=O)CN2CC[NH2+]CC2)CCOCC1 ZINC000638113212 357421034 /nfs/dbraw/zinc/42/10/34/357421034.db2.gz ZQDZTHTVMVAVOW-UHFFFAOYSA-N 2 0 284.404 -0.881 20 0 CBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]3OCC[C@@H]3[NH3+])C2)CC1 ZINC000638116872 357421100 /nfs/dbraw/zinc/42/11/00/357421100.db2.gz MCPASBDFHFCYQO-FPMFFAJLSA-N 3 0 296.415 -0.613 20 0 CBADRP [NH3+]C[C@]1(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CCCOC1 ZINC000638247534 357442774 /nfs/dbraw/zinc/44/27/74/357442774.db2.gz NZOVNLROWZKSPW-OUCADQQQSA-N 2 0 267.373 -0.048 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638122085 357422171 /nfs/dbraw/zinc/42/21/71/357422171.db2.gz HTMQVSAQRRQJOM-OCCSQVGLSA-N 2 0 287.404 -0.162 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638130201 357422709 /nfs/dbraw/zinc/42/27/09/357422709.db2.gz HSEGORPSKCJJPW-TZMCWYRMSA-N 2 0 287.404 -0.162 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[NH+]2CCC(OC)CC2)C1 ZINC000638126067 357423325 /nfs/dbraw/zinc/42/33/25/357423325.db2.gz PBSKTGOCSLUAKW-DZGCQCFKSA-N 2 0 299.415 -0.020 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC[NH+]2CCC(OC)CC2)C1 ZINC000638126068 357423414 /nfs/dbraw/zinc/42/34/14/357423414.db2.gz PBSKTGOCSLUAKW-HIFRSBDPSA-N 2 0 299.415 -0.020 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000638134938 357423723 /nfs/dbraw/zinc/42/37/23/357423723.db2.gz QNPMKKGYQCDZSC-NEPJUHHUSA-N 2 0 266.389 -0.367 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638137821 357423835 /nfs/dbraw/zinc/42/38/35/357423835.db2.gz OVGRBAVNCZSCLD-OAHLLOKOSA-N 2 0 298.431 -0.504 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCCN2CC[NH+](C)CC2)C1 ZINC000638137256 357424111 /nfs/dbraw/zinc/42/41/11/357424111.db2.gz SKYPZQKZDWDHPJ-DZGCQCFKSA-N 2 0 298.431 -0.493 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000638133747 357424311 /nfs/dbraw/zinc/42/43/11/357424311.db2.gz MFPMGHWQTKGLHW-AWEZNQCLSA-N 2 0 296.415 -0.928 20 0 CBADRP C[C@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000638134943 357424379 /nfs/dbraw/zinc/42/43/79/357424379.db2.gz QNPMKKGYQCDZSC-RYUDHWBXSA-N 2 0 266.389 -0.367 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000638141057 357424760 /nfs/dbraw/zinc/42/47/60/357424760.db2.gz RCWUCRYHOFESAG-RYUDHWBXSA-N 2 0 256.394 -0.264 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3OCC[C@@H]3[NH3+])CC2)C1 ZINC000638139213 357425279 /nfs/dbraw/zinc/42/52/79/357425279.db2.gz KEQUTNGIUUFPBT-MELADBBJSA-N 2 0 296.415 -0.659 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CCCC[NH2+]1 ZINC000638138417 357425357 /nfs/dbraw/zinc/42/53/57/357425357.db2.gz ARAMFOZPGSSLMT-ZFWWWQNUSA-N 2 0 298.431 -0.493 20 0 CBADRP C[C@@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000638139960 357425425 /nfs/dbraw/zinc/42/54/25/357425425.db2.gz IJJLOJAOBHOWJE-WCQYABFASA-N 2 0 266.389 -0.214 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638142413 357425788 /nfs/dbraw/zinc/42/57/88/357425788.db2.gz ZSIXDJSJENZVQW-AAEUAGOBSA-N 2 0 266.389 -0.214 20 0 CBADRP C[NH2+]CCC1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638151059 357426468 /nfs/dbraw/zinc/42/64/68/357426468.db2.gz ABZVZMCEZCIBHR-NWDGAFQWSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638142415 357426650 /nfs/dbraw/zinc/42/66/50/357426650.db2.gz ZSIXDJSJENZVQW-WCQYABFASA-N 2 0 266.389 -0.214 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000638153132 357427004 /nfs/dbraw/zinc/42/70/04/357427004.db2.gz CIMCEBUBHGHUGA-NOHGZBONSA-N 2 0 255.362 -0.051 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@H]([NH3+])Cc1cccc(OC)c1 ZINC000638152257 357427441 /nfs/dbraw/zinc/42/74/41/357427441.db2.gz DAFIFDJUWMSGKK-AWEZNQCLSA-N 2 0 295.383 -0.083 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@H]([NH3+])Cc1cccc(OC)c1 ZINC000638152258 357427608 /nfs/dbraw/zinc/42/76/08/357427608.db2.gz DAFIFDJUWMSGKK-CQSZACIVSA-N 2 0 295.383 -0.083 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)CCC[C@H]2[NH3+] ZINC000638164890 357428957 /nfs/dbraw/zinc/42/89/57/357428957.db2.gz MVCIVVOBECIEOX-ROHXPCBUSA-N 2 0 253.346 -0.312 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000638169884 357430034 /nfs/dbraw/zinc/43/00/34/357430034.db2.gz MXUORNVDHWLAOU-DGCLKSJQSA-N 2 0 255.362 -0.083 20 0 CBADRP C[N@@H+]1CCCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638170900 357430203 /nfs/dbraw/zinc/43/02/03/357430203.db2.gz RWGDTYJOQPIDNV-CYBMUJFWSA-N 2 0 255.362 -0.094 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC000638170936 357430659 /nfs/dbraw/zinc/43/06/59/357430659.db2.gz ILFBXJHFRQRGNM-GRYCIOLGSA-N 2 0 255.362 -0.097 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C1 ZINC000638202468 357434526 /nfs/dbraw/zinc/43/45/26/357434526.db2.gz QJKGEJBUAAIIFL-XZUYRWCXSA-N 2 0 255.362 -0.132 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000638213777 357435039 /nfs/dbraw/zinc/43/50/39/357435039.db2.gz ITNRWYOGLOPCDF-TXEJJXNPSA-N 2 0 277.372 -0.264 20 0 CBADRP C[C@H]([NH3+])CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000638219427 357436124 /nfs/dbraw/zinc/43/61/24/357436124.db2.gz KJVMZKNQIWEQDP-IUCAKERBSA-N 2 0 282.310 -0.324 20 0 CBADRP [NH3+]C[C@]1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCCOC1 ZINC000638226287 357437349 /nfs/dbraw/zinc/43/73/49/357437349.db2.gz FDOQRNWUFNFNQF-DZGCQCFKSA-N 2 0 296.415 -0.752 20 0 CBADRP [NH3+]C[C@@]1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCCOC1 ZINC000638226293 357437393 /nfs/dbraw/zinc/43/73/93/357437393.db2.gz FDOQRNWUFNFNQF-ZFWWWQNUSA-N 2 0 296.415 -0.752 20 0 CBADRP [NH3+]C[C@]1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CCCOC1 ZINC000638248276 357443827 /nfs/dbraw/zinc/44/38/27/357443827.db2.gz NTMRDUSRVRCCCX-JBLDHEPKSA-N 2 0 259.325 -0.442 20 0 CBADRP COC[C@@]1(CNC(=O)C2=CC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000638229323 357439104 /nfs/dbraw/zinc/43/91/04/357439104.db2.gz LRAYBPQLGSETGN-YPMHNXCESA-N 2 0 253.346 -0.081 20 0 CBADRP COC[C@]1(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CCCC[NH2+]1 ZINC000637868664 357380072 /nfs/dbraw/zinc/38/00/72/357380072.db2.gz YQUVIEVZLUHPOT-BZPMIXESSA-N 2 0 285.388 -0.280 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000638576061 357496089 /nfs/dbraw/zinc/49/60/89/357496089.db2.gz MFYXNCADHSOHBN-DTWKUNHWSA-N 2 0 252.322 -0.893 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000638574815 357496299 /nfs/dbraw/zinc/49/62/99/357496299.db2.gz UWHANNWCJKEAIY-DMDPSCGWSA-N 2 0 255.362 -0.131 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000638574023 357496478 /nfs/dbraw/zinc/49/64/78/357496478.db2.gz MOLNQBNVABUVLQ-WDEREUQCSA-N 2 0 280.376 -0.113 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638575582 357496533 /nfs/dbraw/zinc/49/65/33/357496533.db2.gz PWIOYFHCPDCOQO-CMPLNLGQSA-N 2 0 259.350 -0.894 20 0 CBADRP C[NH2+]CCOCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000638573516 357496678 /nfs/dbraw/zinc/49/66/78/357496678.db2.gz FTOVRYFWPFNEPF-UHFFFAOYSA-N 2 0 287.404 -0.303 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000638579353 357497548 /nfs/dbraw/zinc/49/75/48/357497548.db2.gz OZGMYTKCZWELGJ-YWPYICTPSA-N 2 0 299.415 -0.129 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000638579860 357498088 /nfs/dbraw/zinc/49/80/88/357498088.db2.gz XOJFSDUVQNYFBM-NSHDSACASA-N 2 0 255.362 -0.272 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)c1c[nH+]ccc1N ZINC000638591087 357499483 /nfs/dbraw/zinc/49/94/83/357499483.db2.gz CHXODRGUCDDLRD-UHFFFAOYSA-N 2 0 252.318 -0.198 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)COC1CCC([NH3+])CC1 ZINC000638592833 357499516 /nfs/dbraw/zinc/49/95/16/357499516.db2.gz RPBFIKMJFHIXLL-UHFFFAOYSA-N 2 0 287.404 -0.033 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)COC1(C)C[NH2+]C1 ZINC000638591883 357499605 /nfs/dbraw/zinc/49/96/05/357499605.db2.gz NZLMKNYWRPIGHO-UHFFFAOYSA-N 2 0 259.350 -0.941 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000638604126 357500033 /nfs/dbraw/zinc/50/00/33/357500033.db2.gz YWRPMJAVSNRJLY-UHFFFAOYSA-N 2 0 283.372 -0.966 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000638624935 357512214 /nfs/dbraw/zinc/51/22/14/357512214.db2.gz ZPAKEBCIXPKBFE-ZIAGYGMSSA-N 2 0 275.352 -0.195 20 0 CBADRP O=C(Cc1cccc2c1CC[NH2+]C2)NC[C@@H]1COCC[NH2+]1 ZINC000638612864 357504897 /nfs/dbraw/zinc/50/48/97/357504897.db2.gz SKRDDOMIVJPGAF-CQSZACIVSA-N 2 0 289.379 -0.021 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638612787 357505057 /nfs/dbraw/zinc/50/50/57/357505057.db2.gz DZJYQKGRHVQTLZ-SCZZXKLOSA-N 2 0 281.278 -0.367 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638612788 357505085 /nfs/dbraw/zinc/50/50/85/357505085.db2.gz DZJYQKGRHVQTLZ-WCBMZHEXSA-N 2 0 281.278 -0.367 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000638613129 357505401 /nfs/dbraw/zinc/50/54/01/357505401.db2.gz GYKYUCZAUUYCFW-JSGCOSHPSA-N 2 0 275.352 -0.022 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000638258431 357444769 /nfs/dbraw/zinc/44/47/69/357444769.db2.gz HEWSWLHRMMNQDI-NSHDSACASA-N 2 0 253.350 -0.088 20 0 CBADRP C[C@]1(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C[NH2+]CCO1 ZINC000638262048 357445384 /nfs/dbraw/zinc/44/53/84/357445384.db2.gz KMCXYIXLKXDSNZ-TZMCWYRMSA-N 2 0 297.399 -0.421 20 0 CBADRP C[C@]1(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)C[NH2+]CCO1 ZINC000638261845 357445469 /nfs/dbraw/zinc/44/54/69/357445469.db2.gz KMCXYIXLKXDSNZ-GXTWGEPZSA-N 2 0 297.399 -0.421 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000638264889 357446229 /nfs/dbraw/zinc/44/62/29/357446229.db2.gz YSGMYOSIUWLZLT-LOWDOPEQSA-N 2 0 267.373 -0.049 20 0 CBADRP CC1(C)CN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC[NH2+]1 ZINC000638269797 357447383 /nfs/dbraw/zinc/44/73/83/357447383.db2.gz AMFMXLKGPKOPHP-CYBMUJFWSA-N 2 0 255.362 -0.048 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638274368 357447909 /nfs/dbraw/zinc/44/79/09/357447909.db2.gz NQYCCMSRAQHNFX-DZGCQCFKSA-N 2 0 299.415 -0.066 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638277512 357449300 /nfs/dbraw/zinc/44/93/00/357449300.db2.gz BKVHQKNMMOMJPF-HNNXBMFYSA-N 2 0 298.431 -0.539 20 0 CBADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CN1CC[NH2+]CC1 ZINC000638285850 357451827 /nfs/dbraw/zinc/45/18/27/357451827.db2.gz YZGFKHBZWRFXSQ-CYBMUJFWSA-N 2 0 268.405 -0.310 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638304508 357454496 /nfs/dbraw/zinc/45/44/96/357454496.db2.gz QODKGEKXGNUIGB-CYBMUJFWSA-N 2 0 255.362 -0.083 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000638344593 357460186 /nfs/dbraw/zinc/46/01/86/357460186.db2.gz OQGYCFPRSHOYIG-GVXVVHGQSA-N 2 0 271.361 -0.670 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000638370519 357463979 /nfs/dbraw/zinc/46/39/79/357463979.db2.gz ZJMXYRVFDBZNLG-LBPRGKRZSA-N 2 0 266.389 -0.318 20 0 CBADRP C[NH2+]Cc1ccccc1CNC(=O)CN1CC[NH2+]CC1 ZINC000638385022 357464410 /nfs/dbraw/zinc/46/44/10/357464410.db2.gz IDEBKALVLFUIEE-UHFFFAOYSA-N 2 0 276.384 -0.073 20 0 CBADRP [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638379684 357464453 /nfs/dbraw/zinc/46/44/53/357464453.db2.gz KNTUDFWTQMXZBF-PCQVFGIUSA-N 2 0 253.346 -0.168 20 0 CBADRP CCO[C@@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000638389548 357465538 /nfs/dbraw/zinc/46/55/38/357465538.db2.gz GSAPFZHMWIWXPB-GRYCIOLGSA-N 2 0 253.346 -0.144 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638395193 357466715 /nfs/dbraw/zinc/46/67/15/357466715.db2.gz TTZLJYBKTYVIQF-NTZNESFSSA-N 2 0 255.362 -0.179 20 0 CBADRP CC[NH2+][C@H](C)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000638424724 357474123 /nfs/dbraw/zinc/47/41/23/357474123.db2.gz IXURGVYGSWMGCR-NEPJUHHUSA-N 2 0 254.378 -0.510 20 0 CBADRP O=C(CCC1C[NH2+]C1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000638425163 357474354 /nfs/dbraw/zinc/47/43/54/357474354.db2.gz LKSNPMDTAOYLON-ZDUSSCGKSA-N 2 0 266.389 -0.508 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638425554 357474713 /nfs/dbraw/zinc/47/47/13/357474713.db2.gz NFWUJOHHOHOQEJ-AAEUAGOBSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]C[C@@]1(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCCOC1 ZINC000638430153 357475462 /nfs/dbraw/zinc/47/54/62/357475462.db2.gz JMUXBZCVVUKTDP-FOGDFJRCSA-N 2 0 259.325 -0.360 20 0 CBADRP C[NH+](C)CCC[C@H]1CN(C(=O)[C@@]2(C)C[NH2+]CCO2)CCO1 ZINC000638433423 357476714 /nfs/dbraw/zinc/47/67/14/357476714.db2.gz UABZYRFDTPFYNY-DZGCQCFKSA-N 2 0 299.415 -0.066 20 0 CBADRP C[C@]1(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C[NH2+]CCO1 ZINC000638442244 357477721 /nfs/dbraw/zinc/47/77/21/357477721.db2.gz QNOJIECYNJWEFY-RTXFEEFZSA-N 2 0 253.346 -0.295 20 0 CBADRP CC(C)([NH3+])CC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638478354 357482022 /nfs/dbraw/zinc/48/20/22/357482022.db2.gz XEJWZTLDRRCXCM-UHFFFAOYSA-N 2 0 297.403 -0.717 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638485272 357483415 /nfs/dbraw/zinc/48/34/15/357483415.db2.gz IZFFMVKBAVCZQD-GFCCVEGCSA-N 2 0 297.403 -0.846 20 0 CBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000638499078 357488355 /nfs/dbraw/zinc/48/83/55/357488355.db2.gz XTSHZHQMVJFYTA-XQQFMLRXSA-N 2 0 296.415 -0.170 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638505594 357490827 /nfs/dbraw/zinc/49/08/27/357490827.db2.gz MOVVQDJHGOKPIR-MNOVXSKESA-N 2 0 280.372 -0.745 20 0 CBADRP CCN(CC[NH3+])C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000638517395 357492848 /nfs/dbraw/zinc/49/28/48/357492848.db2.gz UNSVYBZHSYFZHR-VIFPVBQESA-N 2 0 251.334 -0.093 20 0 CBADRP CC(C)(O)C[NH+]1CCC(NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000639357058 357569598 /nfs/dbraw/zinc/56/95/98/357569598.db2.gz KUAMQQMXGOMJDQ-AWEZNQCLSA-N 2 0 285.432 -0.122 20 0 CBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NC1(C[NH3+])CCOCC1 ZINC000638633874 357513831 /nfs/dbraw/zinc/51/38/31/357513831.db2.gz INSVYXXKFHJFIM-GHMZBOCLSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]CC1(NC(=O)C[C@@H]2CSCC[NH2+]2)CCOCC1 ZINC000638634649 357513964 /nfs/dbraw/zinc/51/39/64/357513964.db2.gz SYALHIUVZLCIBG-SNVBAGLBSA-N 2 0 273.402 -0.294 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC1(C[NH3+])CCOCC1 ZINC000638634543 357513976 /nfs/dbraw/zinc/51/39/76/357513976.db2.gz QJDHDEQBIGZTBC-QWRGUYRKSA-N 2 0 255.362 -0.015 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]C1 ZINC000638642370 357514583 /nfs/dbraw/zinc/51/45/83/357514583.db2.gz GGGPNVPFBPEJJM-LOWVWBTDSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[NH2+]1 ZINC000638642724 357514607 /nfs/dbraw/zinc/51/46/07/357514607.db2.gz JNPZSRXXJHRDAN-GRYCIOLGSA-N 2 0 282.388 -0.499 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[NH2+]1 ZINC000638641648 357514650 /nfs/dbraw/zinc/51/46/50/357514650.db2.gz GIYPJMDQYOWOKZ-GMTAPVOTSA-N 2 0 268.361 -0.889 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C[NH2+]1 ZINC000638643927 357515064 /nfs/dbraw/zinc/51/50/64/357515064.db2.gz NJYPWQVHINVHIL-IJLUTSLNSA-N 2 0 292.387 -0.100 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC000638641651 357515113 /nfs/dbraw/zinc/51/51/13/357515113.db2.gz GIYPJMDQYOWOKZ-VWYCJHECSA-N 2 0 268.361 -0.889 20 0 CBADRP [NH3+]CCCOCCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638663277 357517966 /nfs/dbraw/zinc/51/79/66/357517966.db2.gz FOLDEVWWXUKNKG-GFCCVEGCSA-N 2 0 259.350 -0.777 20 0 CBADRP [NH3+]CCCOCCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000638663323 357518096 /nfs/dbraw/zinc/51/80/96/357518096.db2.gz LUTSINXOAUVXRV-SNVBAGLBSA-N 2 0 261.391 -0.437 20 0 CBADRP COC[C@@]1(C(=O)NCCOCCC[NH3+])CCCC[NH2+]1 ZINC000638664526 357518143 /nfs/dbraw/zinc/51/81/43/357518143.db2.gz OSKCUCHIWPXTIY-CYBMUJFWSA-N 2 0 273.377 -0.373 20 0 CBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N(C)CCOCC[NH3+])C1(C)C ZINC000638674317 357519304 /nfs/dbraw/zinc/51/93/04/357519304.db2.gz IDDJBAVIHQUGRZ-RISCZKNCSA-N 2 0 287.404 -0.047 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000638768137 357527586 /nfs/dbraw/zinc/52/75/86/357527586.db2.gz QOFUBFUYRDPURS-NWDGAFQWSA-N 2 0 277.372 -0.172 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000638791788 357529285 /nfs/dbraw/zinc/52/92/85/357529285.db2.gz RTJHPQUMIYQDHB-VXGBXAGGSA-N 2 0 263.345 -0.101 20 0 CBADRP [NH3+]Cc1ccc2c(c1)N(C(=O)CN1CC[NH2+]CC1)CCO2 ZINC000638808001 357533199 /nfs/dbraw/zinc/53/31/99/357533199.db2.gz FEGIMKWNSUHDCL-UHFFFAOYSA-N 2 0 290.367 -0.224 20 0 CBADRP [NH3+][C@@H]1CCCCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000638815481 357533481 /nfs/dbraw/zinc/53/34/81/357533481.db2.gz HOUUFHKZMYFSBJ-SCRDCRAPSA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+][C@@H]1CCCCCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000638820000 357534446 /nfs/dbraw/zinc/53/44/46/357534446.db2.gz OLQDSOVHSGYZFW-OLZOCXBDSA-N 2 0 296.415 -0.025 20 0 CBADRP [NH3+][C@H]1CCCCCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000638829579 357535086 /nfs/dbraw/zinc/53/50/86/357535086.db2.gz LLBZRHJKMSDTPA-LBPRGKRZSA-N 2 0 254.378 -0.379 20 0 CBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3CCC[NH2+]3)CC2)C1=O ZINC000638857138 357539267 /nfs/dbraw/zinc/53/92/67/357539267.db2.gz ZIMBAPZKBPTRSM-OLZOCXBDSA-N 2 0 294.399 -0.450 20 0 CBADRP COC[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC000638940685 357546170 /nfs/dbraw/zinc/54/61/70/357546170.db2.gz QMUCKCQXKJAXQH-NTZNESFSSA-N 2 0 253.346 -0.425 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638933712 357546232 /nfs/dbraw/zinc/54/62/32/357546232.db2.gz ZDMZJLCCVQMHEX-STQMWFEESA-N 2 0 287.404 -0.081 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000638943763 357546782 /nfs/dbraw/zinc/54/67/82/357546782.db2.gz VGLUBDFOSBTWSA-SRVKXCTJSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000638971568 357547485 /nfs/dbraw/zinc/54/74/85/357547485.db2.gz ZAUDQJOXSUEKTM-SRVKXCTJSA-N 2 0 282.388 -0.512 20 0 CBADRP CC(C)[C@H]1CN(C(=O)CN2CC[NH2+]CC2)CC[N@@H+]1C ZINC000639018572 357552666 /nfs/dbraw/zinc/55/26/66/357552666.db2.gz OFQSBIYTSRHTPU-CYBMUJFWSA-N 2 0 268.405 -0.310 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639020173 357553046 /nfs/dbraw/zinc/55/30/46/357553046.db2.gz DHPIFDLQDGNBMD-BZPMIXESSA-N 2 0 296.415 -0.314 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639026067 357553987 /nfs/dbraw/zinc/55/39/87/357553987.db2.gz XDTDDIMHOAFMMU-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639022851 357554338 /nfs/dbraw/zinc/55/43/38/357554338.db2.gz RBUKIRYYYQEGSS-STQMWFEESA-N 2 0 266.389 -0.508 20 0 CBADRP C[NH+](C)C[C@]1(O)CCC[N@H+](CC[C@H]2CCNC2=O)C1 ZINC000639769284 357597339 /nfs/dbraw/zinc/59/73/39/357597339.db2.gz XHWBTFOHPXVOKT-TZMCWYRMSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+](C)C[C@]1(O)CCC[N@H+](CC[C@@H]2CCNC2=O)C1 ZINC000639769278 357597582 /nfs/dbraw/zinc/59/75/82/357597582.db2.gz XHWBTFOHPXVOKT-GXTWGEPZSA-N 2 0 269.389 -0.099 20 0 CBADRP CC(C)N1CCCC[C@@H]1C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639843019 357603289 /nfs/dbraw/zinc/60/32/89/357603289.db2.gz CMBICLQYUZDGPD-AGIUHOORSA-N 2 0 296.415 -0.232 20 0 CBADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639945034 357619630 /nfs/dbraw/zinc/61/96/30/357619630.db2.gz RCBIGWLBHMXWLZ-CQDKDKBSSA-N 2 0 297.399 -0.328 20 0 CBADRP CC[C@@H](C(=O)N[C@H](CO)C[NH+]1CCCC1)[NH+](C)C ZINC000640323200 357644929 /nfs/dbraw/zinc/64/49/29/357644929.db2.gz KAWOTVOQHRGCCC-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[NH2+]Cc1cn(CC(=O)NC2CC[NH+](CC)CC2)nn1 ZINC000640868165 357667841 /nfs/dbraw/zinc/66/78/41/357667841.db2.gz YREOPLHAMLBERZ-UHFFFAOYSA-N 2 0 294.403 -0.012 20 0 CBADRP CC[N@H+](C)C[C@@H](O)Cn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000641222627 357681804 /nfs/dbraw/zinc/68/18/04/357681804.db2.gz MSLZEMJQAQRVKF-CQSZACIVSA-N 2 0 296.419 -0.662 20 0 CBADRP Cn1cncc1CC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000641796984 357743259 /nfs/dbraw/zinc/74/32/59/357743259.db2.gz ONZFBYZEYQTTOY-LBPRGKRZSA-N 2 0 279.388 -0.251 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NCCC(C)(C)[NH3+] ZINC000641806718 357743846 /nfs/dbraw/zinc/74/38/46/357743846.db2.gz QGSUKZVDPJGRGJ-UHFFFAOYSA-N 2 0 251.396 -0.015 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C)C(C)(C)C2)C1 ZINC000641824407 357746359 /nfs/dbraw/zinc/74/63/59/357746359.db2.gz IMXQXXYLRGCNPE-GFCCVEGCSA-N 2 0 296.415 -0.251 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000641919808 357748998 /nfs/dbraw/zinc/74/89/98/357748998.db2.gz IXAFWAXJUIPHFK-YYNVLWEHSA-N 2 0 250.346 -0.260 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000641937784 357749176 /nfs/dbraw/zinc/74/91/76/357749176.db2.gz KPIPIKICRUEUBA-QWRGUYRKSA-N 2 0 272.393 -0.180 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000642084413 357750071 /nfs/dbraw/zinc/75/00/71/357750071.db2.gz VNKJLANGNGNITQ-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000642439382 357754395 /nfs/dbraw/zinc/75/43/95/357754395.db2.gz DJIZJGFLFCOHAK-OLZOCXBDSA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)C1CC1 ZINC000642403970 357754480 /nfs/dbraw/zinc/75/44/80/357754480.db2.gz NXWRAQGXFANTLK-YPMHNXCESA-N 2 0 294.399 -0.593 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)C1CC1 ZINC000642403967 357754580 /nfs/dbraw/zinc/75/45/80/357754580.db2.gz NXWRAQGXFANTLK-AAEUAGOBSA-N 2 0 294.399 -0.593 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000642439771 357755308 /nfs/dbraw/zinc/75/53/08/357755308.db2.gz OQWXXIDJQHDBEX-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000642439970 357755441 /nfs/dbraw/zinc/75/54/41/357755441.db2.gz UIPNNYOBYVDUGL-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000642439551 357755632 /nfs/dbraw/zinc/75/56/32/357755632.db2.gz LUBAMSWMQQRQQF-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000642439972 357755692 /nfs/dbraw/zinc/75/56/92/357755692.db2.gz UIPNNYOBYVDUGL-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000642439562 357755748 /nfs/dbraw/zinc/75/57/48/357755748.db2.gz MCKAZWPGZUHHQP-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000642535619 357756063 /nfs/dbraw/zinc/75/60/63/357756063.db2.gz RFGQSBAXFLMRPT-RYUDHWBXSA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH2+]C2CC2)C[N@@H+]1C1CC1 ZINC000642718121 357758655 /nfs/dbraw/zinc/75/86/55/357758655.db2.gz IUGOQUNCRGIRAZ-JQWIXIFHSA-N 2 0 294.399 -0.404 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000642718196 357758996 /nfs/dbraw/zinc/75/89/96/357758996.db2.gz RTXTUUTUGQHASU-QJPTWQEYSA-N 2 0 294.399 -0.452 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CCC1 ZINC000642698786 357759144 /nfs/dbraw/zinc/75/91/44/357759144.db2.gz PZOSRZMDYMJCSO-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000642732137 357760576 /nfs/dbraw/zinc/76/05/76/357760576.db2.gz FCCHEUXBPOHERP-GHMZBOCLSA-N 2 0 270.377 -0.702 20 0 CBADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000642786033 357762319 /nfs/dbraw/zinc/76/23/19/357762319.db2.gz XWVFNKUCGIZXOC-OLZOCXBDSA-N 2 0 294.399 -0.545 20 0 CBADRP CC(C)[NH+](CCCNC(=O)C(=O)NC1C[NH2+]C1)C(C)C ZINC000642787372 357762563 /nfs/dbraw/zinc/76/25/63/357762563.db2.gz DVUWUYPHIUPQBA-UHFFFAOYSA-N 2 0 284.404 -0.301 20 0 CBADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[NH2+]CC1 ZINC000642785927 357762676 /nfs/dbraw/zinc/76/26/76/357762676.db2.gz RCNPPEPJRRANFB-GFCCVEGCSA-N 2 0 280.372 -0.981 20 0 CBADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000642786032 357762692 /nfs/dbraw/zinc/76/26/92/357762692.db2.gz XWVFNKUCGIZXOC-CHWSQXEVSA-N 2 0 294.399 -0.545 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000642785666 357762701 /nfs/dbraw/zinc/76/27/01/357762701.db2.gz CJQYMWLIZDVBLC-QWHCGFSZSA-N 2 0 294.399 -0.463 20 0 CBADRP O=C(NCC[NH2+]C1CC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000642785635 357762709 /nfs/dbraw/zinc/76/27/09/357762709.db2.gz ALMHKEZSHVJXPW-ZDUSSCGKSA-N 2 0 294.399 -0.545 20 0 CBADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCC[NH2+]CC1 ZINC000642785792 357762735 /nfs/dbraw/zinc/76/27/35/357762735.db2.gz KVPJYMSWAOJTQN-ZDUSSCGKSA-N 2 0 294.399 -0.591 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000642785719 357762757 /nfs/dbraw/zinc/76/27/57/357762757.db2.gz FBZGZOXSBGVREV-LBPRGKRZSA-N 2 0 282.388 -0.687 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642801210 357763647 /nfs/dbraw/zinc/76/36/47/357763647.db2.gz FORAXKVKIVIXJG-UHFFFAOYSA-N 2 0 270.377 -0.687 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000642854659 357764829 /nfs/dbraw/zinc/76/48/29/357764829.db2.gz UZEWLZAWHZSFNU-WCQYABFASA-N 2 0 292.383 -0.131 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642903645 357765903 /nfs/dbraw/zinc/76/59/03/357765903.db2.gz MROAWFAEISGABD-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642911173 357768211 /nfs/dbraw/zinc/76/82/11/357768211.db2.gz XNQYTSOFVRRUQI-NSHDSACASA-N 2 0 272.393 -0.504 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000642910501 357768412 /nfs/dbraw/zinc/76/84/12/357768412.db2.gz HPSRGBCDOGEFAX-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642910828 357768763 /nfs/dbraw/zinc/76/87/63/357768763.db2.gz PBZXQMPEJDLSAL-TUAOUCFPSA-N 2 0 282.388 -0.465 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918477 357770271 /nfs/dbraw/zinc/77/02/71/357770271.db2.gz WKAMOEYSOGNSMP-UHFFFAOYSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000642947276 357771999 /nfs/dbraw/zinc/77/19/99/357771999.db2.gz HALCQUIAGJLEMU-GHMZBOCLSA-N 2 0 270.377 -0.704 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000642951336 357772563 /nfs/dbraw/zinc/77/25/63/357772563.db2.gz NQEUYBNOXHJIMJ-RYUDHWBXSA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)C[NH3+])C1 ZINC000642939172 357772641 /nfs/dbraw/zinc/77/26/41/357772641.db2.gz FSNHFMWPSBTQTN-VXGBXAGGSA-N 2 0 284.404 -0.314 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000642956705 357773845 /nfs/dbraw/zinc/77/38/45/357773845.db2.gz NHJZNAJNCJZBJE-FRRDWIJNSA-N 2 0 296.415 -0.170 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000643592637 357791064 /nfs/dbraw/zinc/79/10/64/357791064.db2.gz RRPARDAHDQBPEV-RYUDHWBXSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H]1CCCN(C(=O)C(=O)N(C)CCC[NH+](C)C)[C@@H]1C[NH3+] ZINC000643593263 357791330 /nfs/dbraw/zinc/79/13/30/357791330.db2.gz UCGJJUQLAFLICS-QWHCGFSZSA-N 2 0 298.431 -0.018 20 0 CBADRP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)CC[NH2+]1 ZINC000643482971 357785171 /nfs/dbraw/zinc/78/51/71/357785171.db2.gz NCVIOZBNSDFQDD-GFCCVEGCSA-N 2 0 284.404 -0.537 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000643553660 357788542 /nfs/dbraw/zinc/78/85/42/357788542.db2.gz LGEYLYVSHFRGIX-NEPJUHHUSA-N 2 0 282.388 -0.465 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000643574503 357788914 /nfs/dbraw/zinc/78/89/14/357788914.db2.gz NOFHHTCLKFPUOS-STQMWFEESA-N 2 0 296.415 -0.204 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000514601861 291152009 /nfs/dbraw/zinc/15/20/09/291152009.db2.gz BTBHOCXANXXJNC-BBBLOLIVSA-N 2 0 257.334 -0.619 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000419576283 283385261 /nfs/dbraw/zinc/38/52/61/283385261.db2.gz BVXRYKWXXRDFEO-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP O=C([C@@H]1CCCC[NH2+]1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377563714 296009107 /nfs/dbraw/zinc/00/91/07/296009107.db2.gz MDLIOXPBSHQIBS-OLZOCXBDSA-N 2 0 266.389 -0.365 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000419794133 283528439 /nfs/dbraw/zinc/52/84/39/283528439.db2.gz DVGIUWOGOYKMPO-CYBMUJFWSA-N 2 0 292.383 -0.259 20 0 CBADRP CNC(=O)C[C@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000341902220 216147260 /nfs/dbraw/zinc/14/72/60/216147260.db2.gz SEECCTXORNDBEL-NSHDSACASA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000361697155 296014297 /nfs/dbraw/zinc/01/42/97/296014297.db2.gz VDCVVDFBIBALBD-VXGBXAGGSA-N 2 0 268.405 -0.040 20 0 CBADRP Cn1cnc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000534343960 283643330 /nfs/dbraw/zinc/64/33/30/283643330.db2.gz FHKIDZFNVXIZAP-UHFFFAOYSA-N 2 0 297.407 -0.550 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000342519963 216382626 /nfs/dbraw/zinc/38/26/26/216382626.db2.gz ZSIXJDVWWLSYEP-MGPQQGTHSA-N 2 0 282.432 -0.064 20 0 CBADRP Cn1ccnc1[C@@H]1C[NH2+]CCN1C[C@]12C[C@H]1C[NH2+]C2 ZINC000663494418 541320366 /nfs/dbraw/zinc/32/03/66/541320366.db2.gz OQVWBSMMRBSRLB-SGMGOOAPSA-N 2 0 261.373 -0.024 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973501 296072004 /nfs/dbraw/zinc/07/20/04/296072004.db2.gz CJKWUIOLBDGFKV-AGIUHOORSA-N 2 0 267.373 -0.204 20 0 CBADRP C[NH+]1CCN(CCNC(=O)c2c[nH+]ccc2N)CC1 ZINC000275698087 193107393 /nfs/dbraw/zinc/10/73/93/193107393.db2.gz RWQKQXAUCZDASO-UHFFFAOYSA-N 2 0 263.345 -0.359 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000514601862 283874476 /nfs/dbraw/zinc/87/44/76/283874476.db2.gz BTBHOCXANXXJNC-GUBZILKMSA-N 2 0 257.334 -0.619 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262366929 283984846 /nfs/dbraw/zinc/98/48/46/283984846.db2.gz VSZPRCCBQOOTGH-FHUSYTEZSA-N 2 0 267.373 -0.396 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC[NH2+]C1 ZINC000574269530 335005201 /nfs/dbraw/zinc/00/52/01/335005201.db2.gz BAYTUSRSHPOTOT-GVXVVHGQSA-N 2 0 255.362 -0.192 20 0 CBADRP CCCN(C(=O)C(=O)N(C)CCC[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000574310481 335009192 /nfs/dbraw/zinc/00/91/92/335009192.db2.gz RWELOFJHKJYXFB-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[N@H+](C[C@@H](O)CNC[C@H]1CCC[NH+]1CCCO)C1CC1 ZINC000576585164 335222338 /nfs/dbraw/zinc/22/23/38/335222338.db2.gz RQGZPTVXZGUNJW-CABCVRRESA-N 2 0 285.432 -0.122 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000574340143 335012486 /nfs/dbraw/zinc/01/24/86/335012486.db2.gz WFKVYGLXVOIFGR-KXNHARMFSA-N 2 0 280.372 -0.855 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000424200736 296137152 /nfs/dbraw/zinc/13/71/52/296137152.db2.gz RFZBLBUTPBGBPN-YNEHKIRRSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000364557287 296137307 /nfs/dbraw/zinc/13/73/07/296137307.db2.gz DOBOYRSZFYQFKD-CHWSQXEVSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000343609541 296137915 /nfs/dbraw/zinc/13/79/15/296137915.db2.gz WPRIWMQTYSZSCR-DGCLKSJQSA-N 2 0 253.346 -0.423 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[NH2+]CC2)CCCC1 ZINC000331608187 204007931 /nfs/dbraw/zinc/00/79/31/204007931.db2.gz JWBWLXXPNIVMRM-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000331713074 204098205 /nfs/dbraw/zinc/09/82/05/204098205.db2.gz ZHHIFGGFBDLQAJ-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000331945672 204321787 /nfs/dbraw/zinc/32/17/87/204321787.db2.gz YSEIIJPXCNSKQW-LBPRGKRZSA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)NC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344031802 217018547 /nfs/dbraw/zinc/01/85/47/217018547.db2.gz CYSZVBSJEANSFA-UHFFFAOYSA-N 2 0 287.408 -0.743 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1 ZINC000574402542 335016750 /nfs/dbraw/zinc/01/67/50/335016750.db2.gz ZUOUKYLPRUQSOC-NSHDSACASA-N 2 0 265.313 -0.348 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000125144168 372796084 /nfs/dbraw/zinc/79/60/84/372796084.db2.gz KWJGGHHKIDWDNK-ZDUSSCGKSA-N 2 0 290.408 -0.824 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000353430118 220078637 /nfs/dbraw/zinc/07/86/37/220078637.db2.gz RAVVKCCDTLWJKA-ZDUSSCGKSA-N 2 0 287.404 -0.034 20 0 CBADRP CC[C@]1(C(=O)NCCN2CC[NH2+]CC2)CCC[NH2+]1 ZINC000134366332 372800382 /nfs/dbraw/zinc/80/03/82/372800382.db2.gz SDSZUZBMJFJRDT-CYBMUJFWSA-N 2 0 254.378 -0.460 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000157308944 372808385 /nfs/dbraw/zinc/80/83/85/372808385.db2.gz XLYYMNIGQORCQE-OLZOCXBDSA-N 2 0 268.405 -0.038 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@@H]([NH3+])C2)CC1=O ZINC000158175276 372809424 /nfs/dbraw/zinc/80/94/24/372809424.db2.gz YAOMPFKKGNVBIW-VXGBXAGGSA-N 2 0 282.388 -0.654 20 0 CBADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000158207617 372810982 /nfs/dbraw/zinc/81/09/82/372810982.db2.gz WPJFPYYDXSUODB-WFASDCNBSA-N 2 0 298.431 -0.114 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000353467470 220100555 /nfs/dbraw/zinc/10/05/55/220100555.db2.gz LJAHQIHRIIASRO-LBPRGKRZSA-N 2 0 255.362 -0.049 20 0 CBADRP CC(C)C[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[NH+](C)C ZINC000226825312 372876424 /nfs/dbraw/zinc/87/64/24/372876424.db2.gz CAUVCDGWAKUWBP-QJPTWQEYSA-N 2 0 257.378 -0.198 20 0 CBADRP NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261656372 372905662 /nfs/dbraw/zinc/90/56/62/372905662.db2.gz BIWDPMFVDKXUSF-NSHDSACASA-N 2 0 261.391 -0.261 20 0 CBADRP COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262052760 372908673 /nfs/dbraw/zinc/90/86/73/372908673.db2.gz ZVTDWEILXLJPAI-VXGBXAGGSA-N 2 0 256.346 -0.016 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCO2)C[N@@H+]1C1CC1 ZINC000333367111 205257695 /nfs/dbraw/zinc/25/76/95/205257695.db2.gz LXVWWDMXXANOPV-WZRBSPASSA-N 2 0 282.388 -0.101 20 0 CBADRP C[C@H](CC(N)=O)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000304711068 372966457 /nfs/dbraw/zinc/96/64/57/372966457.db2.gz LXEZJGACNQMLDW-NEPJUHHUSA-N 2 0 257.378 -0.067 20 0 CBADRP O[C@H](CNCC[NH+]1CCC(O)CC1)C[NH+]1CCCC1 ZINC000321414579 372969324 /nfs/dbraw/zinc/96/93/24/372969324.db2.gz USZSBGNFANGLKV-CQSZACIVSA-N 2 0 271.405 -0.511 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC[NH2+]C1 ZINC000333459294 205337409 /nfs/dbraw/zinc/33/74/09/205337409.db2.gz YUIFBYGZDKGPIV-MDZLAQPJSA-N 2 0 255.362 -0.273 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]C1 ZINC000333459292 205337674 /nfs/dbraw/zinc/33/76/74/205337674.db2.gz YUIFBYGZDKGPIV-GVXVVHGQSA-N 2 0 255.362 -0.273 20 0 CBADRP C[C@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)[N@H+](C)C1CC1 ZINC000333458115 205338235 /nfs/dbraw/zinc/33/82/35/205338235.db2.gz YPZVJYJTMQDVAM-USWWRNFRSA-N 2 0 270.377 -0.557 20 0 CBADRP [NH3+][C@H]1CCc2nc(NC(=O)[C@@H]3C[NH2+]CCO3)sc2C1 ZINC000343479306 373051627 /nfs/dbraw/zinc/05/16/27/373051627.db2.gz QQSDRRPETNAMDZ-CBAPKCEASA-N 2 0 282.369 -0.114 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000342594517 373046721 /nfs/dbraw/zinc/04/67/21/373046721.db2.gz ZPVNOQGDKZOKNA-AGIUHOORSA-N 2 0 268.405 -0.454 20 0 CBADRP CC(C)[N@H+](C)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351558713 373097693 /nfs/dbraw/zinc/09/76/93/373097693.db2.gz SFMMPPDWYLOHLW-NSHDSACASA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000351839696 373100536 /nfs/dbraw/zinc/10/05/36/373100536.db2.gz LOUAYYRQDPOZSN-YNEHKIRRSA-N 2 0 296.415 -0.408 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000352778433 373107876 /nfs/dbraw/zinc/10/78/76/373107876.db2.gz KTVGPYCQXNCUON-NSHDSACASA-N 2 0 260.382 -0.186 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000353535362 373113582 /nfs/dbraw/zinc/11/35/82/373113582.db2.gz VVQSLMDPVRLGBT-SDDRHHMPSA-N 2 0 273.377 -0.424 20 0 CBADRP CNC(=O)NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358499433 373171704 /nfs/dbraw/zinc/17/17/04/373171704.db2.gz OHJGHDYTMIGMFC-UHFFFAOYSA-N 2 0 254.334 -0.483 20 0 CBADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@@H](C(N)=O)O1 ZINC000359200737 373175137 /nfs/dbraw/zinc/17/51/37/373175137.db2.gz GXJRCDWQWQJJHN-PWSUYJOCSA-N 2 0 255.362 -0.049 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C[C@H]2[NH3+])cn1 ZINC000333618703 205510463 /nfs/dbraw/zinc/51/04/63/205510463.db2.gz TVIPAHASHNYNGR-OBPIAQAESA-N 2 0 290.371 -0.926 20 0 CBADRP CNC(=O)C[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000361109544 373263131 /nfs/dbraw/zinc/26/31/31/373263131.db2.gz NEXBGFKQKBOLFS-STQMWFEESA-N 2 0 270.421 -0.016 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)CC1 ZINC000361554487 373306186 /nfs/dbraw/zinc/30/61/86/373306186.db2.gz TVIJKFNBDPJEOP-HNNXBMFYSA-N 2 0 296.415 -0.216 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)c2ccnc(C[NH3+])c2)C1 ZINC000361627686 373321164 /nfs/dbraw/zinc/32/11/64/373321164.db2.gz OVXJKTQEMRVHHL-LBPRGKRZSA-N 2 0 278.356 -0.009 20 0 CBADRP COCC[NH2+]CC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000361710983 373326925 /nfs/dbraw/zinc/32/69/25/373326925.db2.gz ONGAZPAERMPWJA-AWEZNQCLSA-N 2 0 298.431 -0.539 20 0 CBADRP CCC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000353600694 220182781 /nfs/dbraw/zinc/18/27/81/220182781.db2.gz XNXIUCFRTHEVBV-RYUDHWBXSA-N 2 0 284.404 -0.183 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353599583 220184112 /nfs/dbraw/zinc/18/41/12/220184112.db2.gz TZEMAHHVMPEYAQ-NEPJUHHUSA-N 2 0 284.404 -0.327 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353599588 220184480 /nfs/dbraw/zinc/18/44/80/220184480.db2.gz TZEMAHHVMPEYAQ-VXGBXAGGSA-N 2 0 284.404 -0.327 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000362069622 373363835 /nfs/dbraw/zinc/36/38/35/373363835.db2.gz UPUJZEWRJJOXNS-KGLIPLIRSA-N 2 0 297.447 -0.175 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000362069623 373363980 /nfs/dbraw/zinc/36/39/80/373363980.db2.gz UPUJZEWRJJOXNS-UONOGXRCSA-N 2 0 297.447 -0.175 20 0 CBADRP C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000362069953 373364793 /nfs/dbraw/zinc/36/47/93/373364793.db2.gz WEGSHKWDMAFYFL-CQSZACIVSA-N 2 0 280.416 -0.166 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000362516572 373420675 /nfs/dbraw/zinc/42/06/75/373420675.db2.gz QRPHYAKBAPTAQY-OLZOCXBDSA-N 2 0 268.405 -0.452 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000362763873 373445009 /nfs/dbraw/zinc/44/50/09/373445009.db2.gz WZWRGWHMEUCJQX-HZSPNIEDSA-N 2 0 282.432 -0.064 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000362868559 373457664 /nfs/dbraw/zinc/45/76/64/373457664.db2.gz QFRRDAWNTQQXIM-VXGBXAGGSA-N 2 0 269.389 -0.243 20 0 CBADRP O=C(NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)[C@H]1C[NH2+]CCO1 ZINC000363743604 373507515 /nfs/dbraw/zinc/50/75/15/373507515.db2.gz OKGHVMDJEDLBJJ-HZSPNIEDSA-N 2 0 297.399 -0.408 20 0 CBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000365334679 373523684 /nfs/dbraw/zinc/52/36/84/373523684.db2.gz RQEHBQOXBRMMRV-WCBMZHEXSA-N 2 0 263.345 -0.217 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399020670 373583625 /nfs/dbraw/zinc/58/36/25/373583625.db2.gz HYBQESNMEVCBCW-VXGBXAGGSA-N 2 0 254.378 -0.524 20 0 CBADRP CC(C)[C@H](CNC(=O)C1(C)C[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000399277495 373583720 /nfs/dbraw/zinc/58/37/20/373583720.db2.gz YNEUAWBGHPJHSK-ZDUSSCGKSA-N 2 0 282.432 -0.016 20 0 CBADRP [NH3+][C@H]1CCC[C@@H](C(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)C1 ZINC000374506920 373564498 /nfs/dbraw/zinc/56/44/98/373564498.db2.gz QYONFYXTKHMXJO-KXNHARMFSA-N 2 0 253.346 -0.297 20 0 CBADRP [NH3+]CC(=O)NCC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000375981500 373569744 /nfs/dbraw/zinc/56/97/44/373569744.db2.gz WNXXXMXFAIFBSE-GFCCVEGCSA-N 2 0 276.340 -0.936 20 0 CBADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C3C[NH2+]C3)C2)CC1 ZINC000378639859 373577882 /nfs/dbraw/zinc/57/78/82/373577882.db2.gz HCPHIIATNHZZHT-CQSZACIVSA-N 2 0 280.416 -0.167 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417437001 373628034 /nfs/dbraw/zinc/62/80/34/373628034.db2.gz GAUYMIZFVYIXDL-QWHCGFSZSA-N 2 0 284.404 -0.185 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000417448053 373628281 /nfs/dbraw/zinc/62/82/81/373628281.db2.gz SRYCLNCTKPQHTF-VXGBXAGGSA-N 2 0 272.393 -0.044 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000417442173 373628616 /nfs/dbraw/zinc/62/86/16/373628616.db2.gz SPKYERWKECOAFD-NWDGAFQWSA-N 2 0 272.393 -0.138 20 0 CBADRP [NH3+]C[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000418405947 373631806 /nfs/dbraw/zinc/63/18/06/373631806.db2.gz RTNDMBUQXPXNSB-QWHCGFSZSA-N 2 0 284.404 -0.130 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000418699292 373633278 /nfs/dbraw/zinc/63/32/78/373633278.db2.gz DSLSYDPWJXXSND-NNYUYHANSA-N 2 0 272.393 -0.181 20 0 CBADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000418649089 373633876 /nfs/dbraw/zinc/63/38/76/373633876.db2.gz VQHNILICUSICSK-GRYCIOLGSA-N 2 0 284.404 -0.356 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419024903 373635001 /nfs/dbraw/zinc/63/50/01/373635001.db2.gz LGUSZYKCAFWJGZ-AGIUHOORSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)[C@H]1C[NH3+] ZINC000419097554 373635293 /nfs/dbraw/zinc/63/52/93/373635293.db2.gz GANOCSQGQDGDAH-AAEUAGOBSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)C[C@@H](C)[NH2+]1 ZINC000419538601 373637623 /nfs/dbraw/zinc/63/76/23/373637623.db2.gz ADZFHLSGZASMAZ-FDYHWXHSSA-N 2 0 296.415 -0.206 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000419412066 373638067 /nfs/dbraw/zinc/63/80/67/373638067.db2.gz QLCZTSSZKDZJTP-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCC[N@@H+]1C ZINC000419538914 373639276 /nfs/dbraw/zinc/63/92/76/373639276.db2.gz AKSYXKULUXRDCZ-AGIUHOORSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H](CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000419716128 373639920 /nfs/dbraw/zinc/63/99/20/373639920.db2.gz QIGMGOVZJHUTSY-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CCC[N@@H+]1C ZINC000419556019 373640024 /nfs/dbraw/zinc/64/00/24/373640024.db2.gz JZMJEMYCSROJMA-UTUOFQBUSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419692794 373640101 /nfs/dbraw/zinc/64/01/01/373640101.db2.gz HLEZWZKZQZUNAD-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419697464 373640921 /nfs/dbraw/zinc/64/09/21/373640921.db2.gz QRVYOISSEHWVQX-VXGBXAGGSA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NCCC[NH3+] ZINC000419830812 373641703 /nfs/dbraw/zinc/64/17/03/373641703.db2.gz GWRVDPUOIIDJAP-TXEJJXNPSA-N 2 0 284.404 -0.170 20 0 CBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]CC)C1 ZINC000419887828 373644620 /nfs/dbraw/zinc/64/46/20/373644620.db2.gz JHHZYYINQCCGSU-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000420109725 373648066 /nfs/dbraw/zinc/64/80/66/373648066.db2.gz DSXBQVFIEJZVFS-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)C(C)C ZINC000420103308 373648403 /nfs/dbraw/zinc/64/84/03/373648403.db2.gz PGIKMFMWANTQAD-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP COC(=O)C1CC[NH+](CCCNC(=O)C2([NH3+])CC2)CC1 ZINC000353643531 220218635 /nfs/dbraw/zinc/21/86/35/220218635.db2.gz PCESQUFNTWDIDT-UHFFFAOYSA-N 2 0 283.372 -0.131 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000424195488 373664743 /nfs/dbraw/zinc/66/47/43/373664743.db2.gz SWBJFTYAMAFDOB-RWMBFGLXSA-N 2 0 267.373 -0.177 20 0 CBADRP [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)C3C[NH2+]C3)CC2)C1 ZINC000424274950 373664894 /nfs/dbraw/zinc/66/48/94/373664894.db2.gz ARDLFHSNLOVENP-QWHCGFSZSA-N 2 0 267.373 -0.049 20 0 CBADRP [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000424187176 373664956 /nfs/dbraw/zinc/66/49/56/373664956.db2.gz AIXPHYLMMCKWCK-BFHYXJOUSA-N 2 0 297.399 -0.280 20 0 CBADRP [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000424294816 373665718 /nfs/dbraw/zinc/66/57/18/373665718.db2.gz XMLHGDLOCJDZPK-STQMWFEESA-N 2 0 267.373 -0.049 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424169992 373665731 /nfs/dbraw/zinc/66/57/31/373665731.db2.gz KAICWALTQPXDKB-GUBZILKMSA-N 2 0 266.349 -0.332 20 0 CBADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000424294813 373666068 /nfs/dbraw/zinc/66/60/68/373666068.db2.gz XMLHGDLOCJDZPK-CHWSQXEVSA-N 2 0 267.373 -0.049 20 0 CBADRP [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000424294815 373666278 /nfs/dbraw/zinc/66/62/78/373666278.db2.gz XMLHGDLOCJDZPK-QWHCGFSZSA-N 2 0 267.373 -0.049 20 0 CBADRP [NH3+][C@H]1CCc2ncc(NC(=O)[C@H]3C[NH2+]CCO3)cc2C1 ZINC000444262817 373682656 /nfs/dbraw/zinc/68/26/56/373682656.db2.gz KZIITEMRFWEXCQ-GXFFZTMASA-N 2 0 276.340 -0.176 20 0 CBADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2COC[C@H]2O)CC1 ZINC000463080929 373695080 /nfs/dbraw/zinc/69/50/80/373695080.db2.gz AQLJPSWFSMFTMK-MRVWCRGKSA-N 2 0 272.389 -0.229 20 0 CBADRP Cc1nc(C)n(C[C@@H]2CN(CCC[NH3+])CCO2)n1 ZINC000514941284 373773057 /nfs/dbraw/zinc/77/30/57/373773057.db2.gz BNWDPUXAVCCPJI-LBPRGKRZSA-N 2 0 253.350 -0.055 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000516285753 373807702 /nfs/dbraw/zinc/80/77/02/373807702.db2.gz YGNVSCQHRIEEQS-GRYCIOLGSA-N 2 0 255.362 -0.097 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000519775208 373825741 /nfs/dbraw/zinc/82/57/41/373825741.db2.gz NYIKCIVCRCZKEV-WCQGTBRESA-N 2 0 298.387 -0.341 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)C[NH+]1CCCC1 ZINC000519833585 373827514 /nfs/dbraw/zinc/82/75/14/373827514.db2.gz PLFQPFBCWBCEFX-NEPJUHHUSA-N 2 0 282.388 -0.687 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000520205852 373828256 /nfs/dbraw/zinc/82/82/56/373828256.db2.gz QRTHWFICNSPJJM-UHFFFAOYSA-N 2 0 268.361 -0.983 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1C[NH2+]CCCO1 ZINC000520228437 373830310 /nfs/dbraw/zinc/83/03/10/373830310.db2.gz MAFLZMOEZAVCRE-MNOVXSKESA-N 2 0 273.402 -0.424 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NC2C[NH2+]C2)CCCCCC1 ZINC000515523881 373790674 /nfs/dbraw/zinc/79/06/74/373790674.db2.gz TUKHDDDRKIWQRP-UHFFFAOYSA-N 2 0 296.415 -0.155 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000522138413 373862055 /nfs/dbraw/zinc/86/20/55/373862055.db2.gz FNCGCBVNXHTEDG-VXGBXAGGSA-N 2 0 254.378 -0.700 20 0 CBADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1COCC[NH2+]1 ZINC000529292774 373997723 /nfs/dbraw/zinc/99/77/23/373997723.db2.gz VKDWYXCQTXAPOM-VXGBXAGGSA-N 2 0 282.388 -0.242 20 0 CBADRP C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)C1=CC[N@H+](C)CC1 ZINC000529323178 373999096 /nfs/dbraw/zinc/99/90/96/373999096.db2.gz MGYWEZUVGYRBQQ-AAEUAGOBSA-N 2 0 282.388 -0.076 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529330336 374002052 /nfs/dbraw/zinc/00/20/52/374002052.db2.gz AIEYRWJCDBJCAS-SRVKXCTJSA-N 2 0 270.377 -0.209 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529336235 374003766 /nfs/dbraw/zinc/00/37/66/374003766.db2.gz GMMYRQYPMGGNHM-OUAUKWLOSA-N 2 0 256.350 -0.728 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529341617 374007249 /nfs/dbraw/zinc/00/72/49/374007249.db2.gz JXOQSTGPYBQFTP-NEPJUHHUSA-N 2 0 282.388 -0.051 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529343601 374008181 /nfs/dbraw/zinc/00/81/81/374008181.db2.gz QFFWQPHQOXIBAJ-WDEREUQCSA-N 2 0 268.361 -0.441 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000529346329 374008606 /nfs/dbraw/zinc/00/86/06/374008606.db2.gz ZGMGWKRLIUAWKO-NWDGAFQWSA-N 2 0 270.377 -0.386 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)[C@H](C[NH3+])C1 ZINC000529347346 374008955 /nfs/dbraw/zinc/00/89/55/374008955.db2.gz CKYROCGWOICMMI-VXGBXAGGSA-N 2 0 281.404 -0.445 20 0 CBADRP CC1(NC(=O)NC[C@H]2COCC[NH2+]2)CC[NH2+]CC1 ZINC000529385786 374023544 /nfs/dbraw/zinc/02/35/44/374023544.db2.gz HGOOIDXDTGYZCJ-JTQLQIEISA-N 2 0 256.350 -0.584 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000529373505 374014742 /nfs/dbraw/zinc/01/47/42/374014742.db2.gz FBBAPCJKPUYHBT-QWHCGFSZSA-N 2 0 282.388 -0.146 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000529373566 374015333 /nfs/dbraw/zinc/01/53/33/374015333.db2.gz HAIKPAKUWKZPBA-CHWSQXEVSA-N 2 0 280.372 -0.370 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529376723 374017095 /nfs/dbraw/zinc/01/70/95/374017095.db2.gz SAVPENNNVUKBIJ-FRRDWIJNSA-N 2 0 284.404 -0.044 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529376724 374017488 /nfs/dbraw/zinc/01/74/88/374017488.db2.gz SAVPENNNVUKBIJ-JHJVBQTASA-N 2 0 284.404 -0.044 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529376348 374018390 /nfs/dbraw/zinc/01/83/90/374018390.db2.gz BZNOKDXKTZIWNV-NEPJUHHUSA-N 2 0 270.377 -0.290 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@H]3COCC[NH2+]3)[C@H]2C1 ZINC000529377968 374019599 /nfs/dbraw/zinc/01/95/99/374019599.db2.gz RXFGXUZLWJFNMN-AGIUHOORSA-N 2 0 282.388 -0.290 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000529386336 374024149 /nfs/dbraw/zinc/02/41/49/374024149.db2.gz IHFQKSUTCNATDW-GRYCIOLGSA-N 2 0 268.361 -0.774 20 0 CBADRP C[NH+](C)CCn1nccc1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000528695002 373977960 /nfs/dbraw/zinc/97/79/60/373977960.db2.gz PJRJCWBPQYNFRY-NSHDSACASA-N 2 0 296.375 -0.445 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000529384738 374024781 /nfs/dbraw/zinc/02/47/81/374024781.db2.gz IKQXJALNGOJFRB-LLVKDONJSA-N 2 0 268.361 -0.536 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529387228 374024953 /nfs/dbraw/zinc/02/49/53/374024953.db2.gz KVUUDHVUYCIHJB-JQWIXIFHSA-N 2 0 270.377 -0.256 20 0 CBADRP O=C(N1CC[NH2+]CC1)N1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000530220684 374066529 /nfs/dbraw/zinc/06/65/29/374066529.db2.gz BYWMOTPHHXXMAE-CQSZACIVSA-N 2 0 295.431 -0.371 20 0 CBADRP O=C(N1CC[NH2+]CC1)N1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000530220671 374067383 /nfs/dbraw/zinc/06/73/83/374067383.db2.gz BYWMOTPHHXXMAE-AWEZNQCLSA-N 2 0 295.431 -0.371 20 0 CBADRP CC(=O)NCC(=O)N1CCC[N@H+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000530231708 374068580 /nfs/dbraw/zinc/06/85/80/374068580.db2.gz KYUWVRLTBUDHCV-CQSZACIVSA-N 2 0 296.415 -0.344 20 0 CBADRP C[C@@H](C(N)=O)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238667 374069122 /nfs/dbraw/zinc/06/91/22/374069122.db2.gz AFWACDPEIISTJB-JQWIXIFHSA-N 2 0 255.362 -0.049 20 0 CBADRP C(C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC000530240110 374069768 /nfs/dbraw/zinc/06/97/68/374069768.db2.gz KRPHXDFYXXGURB-INIZCTEOSA-N 3 0 296.459 -0.018 20 0 CBADRP CC[N@H+](CC(=O)N[C@H](C)C(=O)NCC[NH+](C)C)C1CC1 ZINC000552082388 374261501 /nfs/dbraw/zinc/26/15/01/374261501.db2.gz QTDYEKGXSVPISN-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000550416559 374233830 /nfs/dbraw/zinc/23/38/30/374233830.db2.gz JKLJTPKLZXFJDS-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2(N3CCOCC3)CC2)C1 ZINC000551867781 374246404 /nfs/dbraw/zinc/24/64/04/374246404.db2.gz XMAJFUFXQZITSD-GFCCVEGCSA-N 2 0 267.373 -0.081 20 0 CBADRP CN1CCO[C@@H](C(=O)N2CCN(C)C(C)(C)C2)C1 ZINC000555545142 374292299 /nfs/dbraw/zinc/29/22/99/374292299.db2.gz VYLJAXSRMLJKCF-LLVKDONJSA-N 2 0 255.362 -0.130 20 0 CBADRP C[C@]1(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CCC[NH2+]C1 ZINC000566496746 374331080 /nfs/dbraw/zinc/33/10/80/374331080.db2.gz TXJNDUNVXVJGHZ-GYSYKLTISA-N 2 0 280.372 -0.854 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000577769205 374338972 /nfs/dbraw/zinc/33/89/72/374338972.db2.gz CZTIEBFMYDWUEP-TUAOUCFPSA-N 2 0 270.377 -0.555 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])[C@@H](C[NH3+])C1 ZINC000583311917 374361701 /nfs/dbraw/zinc/36/17/01/374361701.db2.gz HPZSDJCLNMAQGJ-RWMBFGLXSA-N 2 0 283.420 -0.212 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCC[NH2+]CC1 ZINC000583321309 374361743 /nfs/dbraw/zinc/36/17/43/374361743.db2.gz ZGKRIUQTKNAVEL-LLVKDONJSA-N 2 0 268.361 -0.933 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000583493595 374362725 /nfs/dbraw/zinc/36/27/25/374362725.db2.gz KDBIBGOMPWBUOO-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000583811286 374367403 /nfs/dbraw/zinc/36/74/03/374367403.db2.gz PDCHEEXYEJLOKY-TUAOUCFPSA-N 2 0 283.372 -0.275 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC[C@H]21 ZINC000584470994 374375086 /nfs/dbraw/zinc/37/50/86/374375086.db2.gz SERKJCKZHUJQAI-WUHRBBMRSA-N 2 0 267.373 -0.348 20 0 CBADRP O=C(NCC[NH2+]C1CC1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000644083457 374486355 /nfs/dbraw/zinc/48/63/55/374486355.db2.gz DAYFHOAAPZGDPB-LLVKDONJSA-N 2 0 278.360 -0.316 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000644124083 374490094 /nfs/dbraw/zinc/49/00/94/374490094.db2.gz SHTXWOGNKRSNMN-YPMHNXCESA-N 2 0 296.415 -0.170 20 0 CBADRP CN(CC[NH3+])C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000574518263 335025891 /nfs/dbraw/zinc/02/58/91/335025891.db2.gz ZDERBBLSHAVQPC-OPQQBVKSSA-N 2 0 255.362 -0.064 20 0 CBADRP CN(CC[NH3+])C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000574518264 335025991 /nfs/dbraw/zinc/02/59/91/335025991.db2.gz ZDERBBLSHAVQPC-OUJBWJOFSA-N 2 0 255.362 -0.064 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC[C@H]2CCCO2)CC1 ZINC000644516675 374588582 /nfs/dbraw/zinc/58/85/82/374588582.db2.gz CLSNVZSVZGIXIN-ZIAGYGMSSA-N 2 0 271.405 -0.247 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC[C@H]2CCCO2)CC1 ZINC000644516674 374588652 /nfs/dbraw/zinc/58/86/52/374588652.db2.gz CLSNVZSVZGIXIN-UONOGXRCSA-N 2 0 271.405 -0.247 20 0 CBADRP CN1CCC[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000644547946 374592972 /nfs/dbraw/zinc/59/29/72/374592972.db2.gz HRJQNTBDOPJFJU-UONOGXRCSA-N 2 0 270.421 -0.722 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000644543681 374593340 /nfs/dbraw/zinc/59/33/40/374593340.db2.gz MWXBNVXAWNOOMQ-LOWVWBTDSA-N 2 0 255.362 -0.131 20 0 CBADRP CCOC[C@@H](O)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000644562348 374594617 /nfs/dbraw/zinc/59/46/17/374594617.db2.gz KPMIKCWVBYOQET-ZDUSSCGKSA-N 2 0 273.421 -0.001 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000644562912 374595346 /nfs/dbraw/zinc/59/53/46/374595346.db2.gz IHFGZMRMKNRBKF-GDBMZVCRSA-N 3 0 298.475 -0.085 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCSC2)CC1 ZINC000644578903 374597531 /nfs/dbraw/zinc/59/75/31/374597531.db2.gz BJYJTIYYYLZILT-RYUDHWBXSA-N 2 0 259.419 -0.310 20 0 CBADRP CC(C)OCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000644621326 374602721 /nfs/dbraw/zinc/60/27/21/374602721.db2.gz HDYGGOPFHWPIMW-CYBMUJFWSA-N 2 0 259.394 -0.391 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)C[C@@H]2COCC[NH2+]2)cn1 ZINC000645803390 374699973 /nfs/dbraw/zinc/69/99/73/374699973.db2.gz WZRPPWSNBSXTKN-LLVKDONJSA-N 2 0 281.360 -0.238 20 0 CBADRP C[NH+]1CCN(c2ccc(NC(=O)COCC[NH3+])cn2)CC1 ZINC000645287485 374658643 /nfs/dbraw/zinc/65/86/43/374658643.db2.gz YXFOKLDIQQHKBD-UHFFFAOYSA-N 2 0 293.371 -0.253 20 0 CBADRP C[NH+]1CCN(c2ccc(NC(=O)COCC[NH3+])nc2)CC1 ZINC000645552410 374680144 /nfs/dbraw/zinc/68/01/44/374680144.db2.gz WGYGMMOHVZXOCN-UHFFFAOYSA-N 2 0 293.371 -0.253 20 0 CBADRP C[NH+](C)CCCOC1CCN(C(=O)COCC[NH3+])CC1 ZINC000646162783 374749195 /nfs/dbraw/zinc/74/91/95/374749195.db2.gz CHKCOLWNLOAXIS-UHFFFAOYSA-N 2 0 287.404 -0.079 20 0 CBADRP COC[C@]1(C(=O)NCC[NH+]2CCC(OC)CC2)CC[NH2+]C1 ZINC000646180759 374751212 /nfs/dbraw/zinc/75/12/12/374751212.db2.gz AECNEAIWHQCEHH-HNNXBMFYSA-N 2 0 299.415 -0.161 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)CC[N@@H+]1C ZINC000646210613 374758101 /nfs/dbraw/zinc/75/81/01/374758101.db2.gz ANAKWYNQSLBKGM-SRVKXCTJSA-N 2 0 257.378 -0.245 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646216778 374758817 /nfs/dbraw/zinc/75/88/17/374758817.db2.gz WDTCMYCULGNVMZ-XWLWVQCSSA-N 2 0 258.366 -0.130 20 0 CBADRP COc1cc[nH+]c(N2CCN(C(=O)COCC[NH3+])CC2)c1 ZINC000645934809 374713142 /nfs/dbraw/zinc/71/31/42/374713142.db2.gz BKDIMZFGQCXFCH-UHFFFAOYSA-N 2 0 294.355 -0.286 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000645951651 374717396 /nfs/dbraw/zinc/71/73/96/374717396.db2.gz VEUJLCYBLUBCSL-WDEREUQCSA-N 2 0 255.362 -0.179 20 0 CBADRP COCC[NH2+]CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000645978113 374720434 /nfs/dbraw/zinc/72/04/34/374720434.db2.gz SEPFVSBMSBJIKZ-CYBMUJFWSA-N 3 0 298.431 -0.493 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645966023 374720916 /nfs/dbraw/zinc/72/09/16/374720916.db2.gz OPFMSACKBUKNDF-QWRGUYRKSA-N 2 0 254.378 -0.654 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645966024 374721338 /nfs/dbraw/zinc/72/13/38/374721338.db2.gz OPFMSACKBUKNDF-WDEREUQCSA-N 2 0 254.378 -0.654 20 0 CBADRP C[C@@H](CNC(=O)CC(C)(C)[NH3+])N1CC[NH+](C)CC1 ZINC000646026962 374731518 /nfs/dbraw/zinc/73/15/18/374731518.db2.gz HYUSWLRJZZFQGZ-NSHDSACASA-N 2 0 256.394 -0.134 20 0 CBADRP [NH3+]CCOCC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000646040087 374733481 /nfs/dbraw/zinc/73/34/81/374733481.db2.gz SLXXQLHPLIRYKJ-UHFFFAOYSA-N 2 0 285.388 -0.468 20 0 CBADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000646116447 374741985 /nfs/dbraw/zinc/74/19/85/374741985.db2.gz WYQWDOYSNZOQTN-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000646600396 374794164 /nfs/dbraw/zinc/79/41/64/374794164.db2.gz LELNAUVSZKYARI-DGCLKSJQSA-N 2 0 279.340 -0.200 20 0 CBADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)COCC[NH3+] ZINC000646600997 374794221 /nfs/dbraw/zinc/79/42/21/374794221.db2.gz RLBHJYLIBADVFG-NSHDSACASA-N 2 0 267.329 -0.214 20 0 CBADRP CC(C)([NH3+])CC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000646637934 374798663 /nfs/dbraw/zinc/79/86/63/374798663.db2.gz FJZXUBSVDZYVHV-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000646774157 374810679 /nfs/dbraw/zinc/81/06/79/374810679.db2.gz PPYGOMFRNJEVJL-JTQLQIEISA-N 2 0 268.365 -0.270 20 0 CBADRP [NH3+]C1(CC(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)CCC1 ZINC000646803545 374817544 /nfs/dbraw/zinc/81/75/44/374817544.db2.gz FLMBJGRBPUFWEY-UHFFFAOYSA-N 2 0 279.348 -0.576 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000646844734 374825486 /nfs/dbraw/zinc/82/54/86/374825486.db2.gz ZRPHRWFNNAABCW-QJPTWQEYSA-N 2 0 267.373 -0.049 20 0 CBADRP COCC1(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC[NH2+]CC1 ZINC000646843363 374825730 /nfs/dbraw/zinc/82/57/30/374825730.db2.gz IUMIOEWZUDVUSS-VXGBXAGGSA-N 2 0 285.388 -0.423 20 0 CBADRP COCC1(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC[NH2+]CC1 ZINC000646843361 374826100 /nfs/dbraw/zinc/82/61/00/374826100.db2.gz IUMIOEWZUDVUSS-NWDGAFQWSA-N 2 0 285.388 -0.423 20 0 CBADRP COC[C@]1(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC[NH2+]C1 ZINC000646851253 374827081 /nfs/dbraw/zinc/82/70/81/374827081.db2.gz RGGBSRZWPSCQSX-MDZLAQPJSA-N 2 0 271.361 -0.813 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646338930 374770944 /nfs/dbraw/zinc/77/09/44/374770944.db2.gz WQCOCVDJDMMKAS-DGCLKSJQSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000646331585 374771174 /nfs/dbraw/zinc/77/11/74/374771174.db2.gz BNRBHFVKIILWBI-FRRDWIJNSA-N 2 0 294.399 -0.402 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC[NH2+]C1 ZINC000646338256 374771325 /nfs/dbraw/zinc/77/13/25/374771325.db2.gz GELASMNFLXJDCD-OBJOEFQTSA-N 2 0 267.373 -0.177 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000646351726 374772734 /nfs/dbraw/zinc/77/27/34/374772734.db2.gz CXCUUFXGUCCTCH-UONOGXRCSA-N 2 0 280.416 -0.023 20 0 CBADRP [NH3+]CCOCC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000646385533 374775579 /nfs/dbraw/zinc/77/55/79/374775579.db2.gz WAZROMQWVZKAOU-RYUDHWBXSA-N 2 0 255.362 -0.190 20 0 CBADRP CC1(C(=O)NCCC[NH+]2CCC(O)CC2)C[NH2+]C1 ZINC000646408015 374776284 /nfs/dbraw/zinc/77/62/84/374776284.db2.gz HVIBLRLITWJNGP-UHFFFAOYSA-N 2 0 255.362 -0.441 20 0 CBADRP C[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)[NH+](C)C ZINC000646427202 374777452 /nfs/dbraw/zinc/77/74/52/374777452.db2.gz SMUDNMAOJCLGHR-SECBINFHSA-N 2 0 254.338 -0.693 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000646411128 374777652 /nfs/dbraw/zinc/77/76/52/374777652.db2.gz GRRGXWUEGKVBPU-LBPRGKRZSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)CCO1 ZINC000646856511 374830412 /nfs/dbraw/zinc/83/04/12/374830412.db2.gz ISMYHTVUHQIZLS-QJPTWQEYSA-N 2 0 271.361 -0.670 20 0 CBADRP C[C@@]1(C(=O)NCC[N@@H+]2CCCOCC2)CC[NH2+]C1 ZINC000646503560 374782873 /nfs/dbraw/zinc/78/28/73/374782873.db2.gz KUFXEMFQUHNMFD-CYBMUJFWSA-N 2 0 255.362 -0.176 20 0 CBADRP [NH3+]CC1(CC(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000646575839 374790153 /nfs/dbraw/zinc/79/01/53/374790153.db2.gz YIWVHJNCDPNKQA-UHFFFAOYSA-N 2 0 254.378 -0.473 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000647033522 374866216 /nfs/dbraw/zinc/86/62/16/374866216.db2.gz HEGBVHKORBNPFW-SRVKXCTJSA-N 2 0 273.352 -0.087 20 0 CBADRP COCC1(CNC(=O)C[C@@H]2C[NH2+]CCO2)CC[NH2+]CC1 ZINC000647037942 374866588 /nfs/dbraw/zinc/86/65/88/374866588.db2.gz ILHOJWUSVBKMTO-GFCCVEGCSA-N 2 0 285.388 -0.503 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647055340 374876254 /nfs/dbraw/zinc/87/62/54/374876254.db2.gz VSMRXDSXQROOIV-VXGBXAGGSA-N 2 0 294.399 -0.497 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000647058146 374877251 /nfs/dbraw/zinc/87/72/51/374877251.db2.gz QGJJUJNJFFCLDF-DCAQKATOSA-N 2 0 296.350 -0.540 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)CCOC1C[NH2+]C1)C(F)F ZINC000647072015 374879727 /nfs/dbraw/zinc/87/97/27/374879727.db2.gz MBVPQPYPNFIWKN-MRVPVSSYSA-N 2 0 251.277 -0.536 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000647073842 374879907 /nfs/dbraw/zinc/87/99/07/374879907.db2.gz MITVNRUXSPDXPJ-UPJWGTAASA-N 2 0 296.415 -0.122 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000647087922 374884332 /nfs/dbraw/zinc/88/43/32/374884332.db2.gz WVOMFCJUVPPQBO-RYUDHWBXSA-N 2 0 292.387 -0.102 20 0 CBADRP COC[C@@]1(C(=O)N2CCCO[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000647088950 374885917 /nfs/dbraw/zinc/88/59/17/374885917.db2.gz BSDCDNKZMSOZEL-DGCLKSJQSA-N 2 0 271.361 -0.811 20 0 CBADRP [NH3+]CCCC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000647017923 374860532 /nfs/dbraw/zinc/86/05/32/374860532.db2.gz JULKNMLYBYFXTA-NSHDSACASA-N 2 0 270.377 -0.429 20 0 CBADRP C[C@H]([NH3+])CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000647022845 374863225 /nfs/dbraw/zinc/86/32/25/374863225.db2.gz HZZKPHINZKRLJE-MPXOCVNLSA-N 2 0 255.362 -0.018 20 0 CBADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000574573104 335030887 /nfs/dbraw/zinc/03/08/87/335030887.db2.gz QJVZFZWHNJUBLS-RYUDHWBXSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000576634780 335228597 /nfs/dbraw/zinc/22/85/97/335228597.db2.gz HZBFJTWBSWQTIY-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000574634856 335035386 /nfs/dbraw/zinc/03/53/86/335035386.db2.gz GBZMXFZKRJVWIO-GARJFASQSA-N 2 0 258.366 -0.210 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000574634857 335035509 /nfs/dbraw/zinc/03/55/09/335035509.db2.gz GBZMXFZKRJVWIO-HBNTYKKESA-N 2 0 258.366 -0.210 20 0 CBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[NH3+] ZINC000574637117 335036053 /nfs/dbraw/zinc/03/60/53/335036053.db2.gz BLEKXDRFZAHHLK-UHFFFAOYSA-N 2 0 289.405 -0.701 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@H]1c1ccccc1 ZINC000261699293 190042671 /nfs/dbraw/zinc/04/26/71/190042671.db2.gz JPGOLMDXCBDEOW-MJBXVCDLSA-N 2 0 275.352 -0.072 20 0 CBADRP C[N@H+](CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1)Cc1ccccc1 ZINC000262345289 190053743 /nfs/dbraw/zinc/05/37/43/190053743.db2.gz GPGANFXLDIYIHU-UONOGXRCSA-N 2 0 277.368 -0.043 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000420111242 284595399 /nfs/dbraw/zinc/59/53/99/284595399.db2.gz GIPJTEMZQSKRQC-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP [NH3+]CCOCCN1CCN(CC(=O)N2CCCCC2)CC1 ZINC000357065421 248315166 /nfs/dbraw/zinc/31/51/66/248315166.db2.gz AJASSWFWEREQFB-UHFFFAOYSA-N 2 0 298.431 -0.408 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN(C)C2C[NH2+]C2)CC1 ZINC000357067597 248315306 /nfs/dbraw/zinc/31/53/06/248315306.db2.gz CUVVTWLFDHNNTL-UHFFFAOYSA-N 2 0 254.378 -0.510 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000357078944 248318491 /nfs/dbraw/zinc/31/84/91/248318491.db2.gz KOLGYABLVCLPEV-UHFFFAOYSA-N 2 0 265.361 -0.036 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000357236222 248337517 /nfs/dbraw/zinc/33/75/17/248337517.db2.gz DUGBUKVKHUHBQN-KBPBESRZSA-N 2 0 297.399 -0.454 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000357221040 248334525 /nfs/dbraw/zinc/33/45/25/248334525.db2.gz BNBPDQQMPUUNKH-CQSZACIVSA-N 2 0 299.415 -0.018 20 0 CBADRP C[C@H](C[NH3+])C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000357240093 248337789 /nfs/dbraw/zinc/33/77/89/248337789.db2.gz JEWBFGBOFLASHH-NWDGAFQWSA-N 2 0 256.394 -0.419 20 0 CBADRP C[NH2+]CCC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000357242713 248338411 /nfs/dbraw/zinc/33/84/11/248338411.db2.gz MYHDMIACBAQIGZ-UHFFFAOYSA-N 2 0 296.375 -0.891 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000357294229 248345570 /nfs/dbraw/zinc/34/55/70/248345570.db2.gz JAVXURITWRKPNO-HKUMRIAESA-N 2 0 296.415 -0.253 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000357314123 248351794 /nfs/dbraw/zinc/35/17/94/248351794.db2.gz LOZVYXDCCRATQE-BREBYQMCSA-N 2 0 255.362 -0.132 20 0 CBADRP CC[C@@H]1CN(CCNC(=O)[C@H]2CN(CC)CCO2)CCO1 ZINC000357366782 248354871 /nfs/dbraw/zinc/35/48/71/248354871.db2.gz CINZCAKAOCVFJE-ZIAGYGMSSA-N 2 0 299.415 -0.066 20 0 CBADRP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000357921392 248422387 /nfs/dbraw/zinc/42/23/87/248422387.db2.gz LQMLJBYLLQSROM-XQQFMLRXSA-N 2 0 267.373 -0.347 20 0 CBADRP O=C(C[NH2+]CC1CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000367653077 248751861 /nfs/dbraw/zinc/75/18/61/248751861.db2.gz KUNAOOCMFRJWKO-CYBMUJFWSA-N 2 0 266.389 -0.508 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000419734796 284626256 /nfs/dbraw/zinc/62/62/56/284626256.db2.gz PLGQLAPJPUDZES-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419732938 284627333 /nfs/dbraw/zinc/62/73/33/284627333.db2.gz NFFDCZMIJYFGLI-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP COC1(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]CC1 ZINC000186752412 284675478 /nfs/dbraw/zinc/67/54/78/284675478.db2.gz YZQPFSBDRFEZMB-WDEREUQCSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000574661210 335038240 /nfs/dbraw/zinc/03/82/40/335038240.db2.gz OZAHFCWKFSLBAL-YPMHNXCESA-N 2 0 257.378 -0.243 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000653129906 412885159 /nfs/dbraw/zinc/88/51/59/412885159.db2.gz NONWCSYXQILUDZ-CYDGBPFRSA-N 2 0 268.405 -0.149 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000653129002 412885285 /nfs/dbraw/zinc/88/52/85/412885285.db2.gz JFUMYPXVIYVCOQ-VXGBXAGGSA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@H](O)C(=O)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000346992538 218083082 /nfs/dbraw/zinc/08/30/82/218083082.db2.gz URVGBABASKTLHY-NSHDSACASA-N 2 0 255.362 -0.489 20 0 CBADRP CC(C)([NH3+])CN1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347128238 218131650 /nfs/dbraw/zinc/13/16/50/218131650.db2.gz PDZCBWCIDKUMNR-GFCCVEGCSA-N 2 0 268.405 -0.133 20 0 CBADRP CC(C)C[C@@H]([NH2+][C@H](C)CC(N)=O)C(=O)NCC[NH+](C)C ZINC000347197668 218152486 /nfs/dbraw/zinc/15/24/86/218152486.db2.gz AZOQRMWJKHHOTD-VXGBXAGGSA-N 2 0 286.420 -0.068 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CNC(=O)C[NH3+])C[C@@H]1C ZINC000347607538 218290131 /nfs/dbraw/zinc/29/01/31/218290131.db2.gz CBSSKKOKLXTSNO-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP [NH3+]CC(=O)NCC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000347648495 218306560 /nfs/dbraw/zinc/30/65/60/218306560.db2.gz PHAJKCWEMKGVKB-UHFFFAOYSA-N 2 0 282.388 -0.416 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000574742846 335043699 /nfs/dbraw/zinc/04/36/99/335043699.db2.gz LFWBDUBXBCSLSM-OLZOCXBDSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000574742847 335043751 /nfs/dbraw/zinc/04/37/51/335043751.db2.gz LFWBDUBXBCSLSM-QWHCGFSZSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])C1 ZINC000420025810 284826581 /nfs/dbraw/zinc/82/65/81/284826581.db2.gz ZFXNIHMRXNTMMB-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000574755017 335044749 /nfs/dbraw/zinc/04/47/49/335044749.db2.gz SFXBUUSGDBOCBD-XQQFMLRXSA-N 2 0 267.373 -0.177 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[NH+](CC2CC2)CC1 ZINC000334959899 207363084 /nfs/dbraw/zinc/36/30/84/207363084.db2.gz ZNFUJOLXWWNQQX-ITGUQSILSA-N 2 0 264.373 -0.059 20 0 CBADRP CC[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)CC[N@@H+]1CCOC ZINC000168066257 207397885 /nfs/dbraw/zinc/39/78/85/207397885.db2.gz NSHPMLNDXLWDTC-ZIAGYGMSSA-N 2 0 299.415 -0.066 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417756139 207562503 /nfs/dbraw/zinc/56/25/03/207562503.db2.gz RWMQSWOQPJYEII-GDNZZTSVSA-N 2 0 270.377 -0.528 20 0 CBADRP [NH3+]C[C@@H](NC(=O)N1CCO[C@@H](C[NH3+])C1)C1CCCC1 ZINC000418596746 207598144 /nfs/dbraw/zinc/59/81/44/207598144.db2.gz PBMXIPQPPKCWKI-NWDGAFQWSA-N 2 0 270.377 -0.127 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)NCCN1CC[NH2+]CC1 ZINC000418291222 207574712 /nfs/dbraw/zinc/57/47/12/207574712.db2.gz AVCTTXOKDRFXHH-GFCCVEGCSA-N 2 0 271.409 -0.292 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000418286112 207574725 /nfs/dbraw/zinc/57/47/25/207574725.db2.gz GXMUGSNBEGFCAW-LBPRGKRZSA-N 2 0 271.409 -0.436 20 0 CBADRP C[C@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000418286190 207575442 /nfs/dbraw/zinc/57/54/42/207575442.db2.gz HHZYZRYYYRJMJV-STQMWFEESA-N 2 0 283.420 -0.327 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000418305835 207575783 /nfs/dbraw/zinc/57/57/83/207575783.db2.gz PEOXRGJOTVLBRM-OLZOCXBDSA-N 2 0 283.420 -0.197 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000418424875 207584241 /nfs/dbraw/zinc/58/42/41/207584241.db2.gz IIDCLUPXZFXBGQ-AAEUAGOBSA-N 2 0 274.409 -0.028 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000418511251 207591271 /nfs/dbraw/zinc/59/12/71/207591271.db2.gz QUGWZWOAKBUHHH-NSHDSACASA-N 2 0 258.366 -0.255 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418834885 207613554 /nfs/dbraw/zinc/61/35/54/207613554.db2.gz MPRKJPLBKSWMBU-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)NCCC[NH+]2CCCCC2)CCC1 ZINC000418991593 207631251 /nfs/dbraw/zinc/63/12/51/207631251.db2.gz FDZQNFGRNMOUAF-UHFFFAOYSA-N 2 0 296.415 -0.024 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419133407 207647720 /nfs/dbraw/zinc/64/77/20/207647720.db2.gz GSBMXLHOUIFQKG-AVGNSLFASA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419144667 207649935 /nfs/dbraw/zinc/64/99/35/207649935.db2.gz XYILSMYSCBCGGP-FRRDWIJNSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000419145720 207651910 /nfs/dbraw/zinc/65/19/10/207651910.db2.gz ZBTXOGNXQUHENA-AGIUHOORSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419154291 207655982 /nfs/dbraw/zinc/65/59/82/207655982.db2.gz RDNPWYRCCBQWJN-UTUOFQBUSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000419536612 207705375 /nfs/dbraw/zinc/70/53/75/207705375.db2.gz AXSVKOJQDSNTMS-QWRGUYRKSA-N 2 0 286.420 -0.068 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419835975 207740690 /nfs/dbraw/zinc/74/06/90/207740690.db2.gz BAHCHIPOLCXIGU-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)C(C)(C)C[NH+](C)C ZINC000419548528 207708670 /nfs/dbraw/zinc/70/86/70/207708670.db2.gz RLYZUGQXTVKOCO-JQWIXIFHSA-N 2 0 298.431 -0.068 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C[C@@H]1[NH+](C)C ZINC000419930523 207763360 /nfs/dbraw/zinc/76/33/60/207763360.db2.gz BGTUTNJRQHIGRB-XQQFMLRXSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000419867291 207749142 /nfs/dbraw/zinc/74/91/42/207749142.db2.gz HDTWIZRVMNXNTJ-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419886187 207755683 /nfs/dbraw/zinc/75/56/83/207755683.db2.gz IBVJMZGZKZAXOT-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC1(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[NH2+]C1 ZINC000423631131 207918181 /nfs/dbraw/zinc/91/81/81/207918181.db2.gz MAVZGSMNWIHCKN-VIFPVBQESA-N 2 0 294.321 -0.452 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]C1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424059151 207957960 /nfs/dbraw/zinc/95/79/60/207957960.db2.gz MTMNSOBIXXGMGD-NWDGAFQWSA-N 2 0 292.387 -0.068 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000424160991 207963850 /nfs/dbraw/zinc/96/38/50/207963850.db2.gz BCLUSKVPKLSAOZ-YIZRAAEISA-N 2 0 280.294 -0.714 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C[NH2+]CC3CC3)C[C@H]2[NH3+])cn1 ZINC000424248398 207979257 /nfs/dbraw/zinc/97/92/57/207979257.db2.gz XJWDEMTWNXOPKQ-QWHCGFSZSA-N 2 0 277.372 -0.327 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000427854454 208071594 /nfs/dbraw/zinc/07/15/94/208071594.db2.gz AVXBAKIMWCOKGH-VHSXEESVSA-N 2 0 254.334 -0.532 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC1 ZINC000428686300 208096170 /nfs/dbraw/zinc/09/61/70/208096170.db2.gz BAVZWASZBNWQCG-CQSZACIVSA-N 2 0 297.447 -0.031 20 0 CBADRP C[C@@H](O)CC[N@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000429685533 208127318 /nfs/dbraw/zinc/12/73/18/208127318.db2.gz WUTAZDPSMHSWSH-GFCCVEGCSA-N 2 0 257.378 -0.147 20 0 CBADRP C[C@H](O)CC[N@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000429685535 208129228 /nfs/dbraw/zinc/12/92/28/208129228.db2.gz WUTAZDPSMHSWSH-LBPRGKRZSA-N 2 0 257.378 -0.147 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NCC[C@@H](C)[NH3+])CC1 ZINC000429037345 208108489 /nfs/dbraw/zinc/10/84/89/208108489.db2.gz XGTDHXUAODSJPB-GFCCVEGCSA-N 2 0 256.394 -0.133 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000429166892 208111226 /nfs/dbraw/zinc/11/12/26/208111226.db2.gz KDJQGWSZMMAMRY-VXGBXAGGSA-N 2 0 284.404 -0.504 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000429166890 208112737 /nfs/dbraw/zinc/11/27/37/208112737.db2.gz KDJQGWSZMMAMRY-RYUDHWBXSA-N 2 0 284.404 -0.504 20 0 CBADRP CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000429455501 208121157 /nfs/dbraw/zinc/12/11/57/208121157.db2.gz RFEPYPISJJNXHX-RYUDHWBXSA-N 2 0 292.449 -0.251 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000237158916 285074064 /nfs/dbraw/zinc/07/40/64/285074064.db2.gz CTMPFJGLWJZGFP-AWEZNQCLSA-N 2 0 299.415 -0.207 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@@H]([NH3+])C2)C1 ZINC000430618658 208167768 /nfs/dbraw/zinc/16/77/68/208167768.db2.gz VYTBTDYGIHVMCH-ZIAGYGMSSA-N 2 0 298.431 -0.508 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[C@H]([NH3+])C2)C1 ZINC000430635682 208169119 /nfs/dbraw/zinc/16/91/19/208169119.db2.gz VYTBTDYGIHVMCH-KBPBESRZSA-N 2 0 298.431 -0.508 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000430686870 208172408 /nfs/dbraw/zinc/17/24/08/208172408.db2.gz OBOHHSVJCPNWGT-GFCCVEGCSA-N 2 0 275.418 -0.224 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)[C@H]2C[NH2+]CCO2)CCSC1 ZINC000430681583 208172856 /nfs/dbraw/zinc/17/28/56/208172856.db2.gz CCDANHKUSOTMKF-PWSUYJOCSA-N 2 0 273.402 -0.472 20 0 CBADRP COCC[NH2+]CC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000430720663 208174332 /nfs/dbraw/zinc/17/43/32/208174332.db2.gz NFNZZZATWUHJSI-NSHDSACASA-N 2 0 259.350 -0.941 20 0 CBADRP COCC[NH2+]CC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000237179982 285075460 /nfs/dbraw/zinc/07/54/60/285075460.db2.gz YDRRRTBYOVBDCE-CHWSQXEVSA-N 2 0 287.404 -0.162 20 0 CBADRP O=C(COC1C[NH2+]C1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000430730697 208177521 /nfs/dbraw/zinc/17/75/21/208177521.db2.gz JXOQELKXQHHALJ-UHFFFAOYSA-N 2 0 297.399 -0.264 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000430741860 208177676 /nfs/dbraw/zinc/17/76/76/208177676.db2.gz FFCHTZBJQULUQA-MJBXVCDLSA-N 2 0 299.415 -0.020 20 0 CBADRP C[NH2+]CCCC(=O)NCCC[NH+]1CCC(O)CC1 ZINC000430750631 208177952 /nfs/dbraw/zinc/17/79/52/208177952.db2.gz OVJVADZBYSUIOB-UHFFFAOYSA-N 2 0 257.378 -0.051 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000430757320 208178430 /nfs/dbraw/zinc/17/84/30/208178430.db2.gz WAWXXQVRBOLBMV-LBPRGKRZSA-N 2 0 257.378 -0.067 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)COC2C[NH2+]C2)C[C@@H](C)O1 ZINC000430745096 208178602 /nfs/dbraw/zinc/17/86/02/208178602.db2.gz VTHGRYCUELPJAR-VXGBXAGGSA-N 2 0 285.388 -0.410 20 0 CBADRP O=C([C@@H]1CC[NH2+]C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000430774571 208181658 /nfs/dbraw/zinc/18/16/58/208181658.db2.gz FMVXLVRATZVSRV-GFCCVEGCSA-N 2 0 267.373 -0.081 20 0 CBADRP C[C@H]1C[C@H](N(C)C(=O)COC2C[NH2+]C2)CC[N@@H+]1C ZINC000430785685 208181939 /nfs/dbraw/zinc/18/19/39/208181939.db2.gz YHLFSTOBZJFYON-WDEREUQCSA-N 2 0 255.362 -0.084 20 0 CBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)COC2C[NH2+]C2)C1 ZINC000430776697 208183093 /nfs/dbraw/zinc/18/30/93/208183093.db2.gz QQJJHGIQXPFBEP-CYBMUJFWSA-N 2 0 299.415 -0.066 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000430878028 208186009 /nfs/dbraw/zinc/18/60/09/208186009.db2.gz LQBDDDJAWJCBPB-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC[NH2+]C1 ZINC000430891995 208186211 /nfs/dbraw/zinc/18/62/11/208186211.db2.gz YZIOZUFNQCOZDZ-BXUZGUMPSA-N 2 0 282.388 -0.558 20 0 CBADRP C[NH2+]CCCC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000430892938 208188608 /nfs/dbraw/zinc/18/86/08/208188608.db2.gz HCSDIRWQGAHWPM-LBPRGKRZSA-N 2 0 284.404 -0.310 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000430882891 208188814 /nfs/dbraw/zinc/18/88/14/208188814.db2.gz AMQDAQDCVXHRCZ-QWHCGFSZSA-N 2 0 296.415 -0.168 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)COC2C[NH2+]C2)CC1 ZINC000430912886 208189301 /nfs/dbraw/zinc/18/93/01/208189301.db2.gz PNYQJVOUFMOKOM-UHFFFAOYSA-N 2 0 285.388 -0.408 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000430907548 208190098 /nfs/dbraw/zinc/19/00/98/208190098.db2.gz DZTZAVDGZAJKPY-AWEZNQCLSA-N 2 0 299.415 -0.018 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000431005694 208194904 /nfs/dbraw/zinc/19/49/04/208194904.db2.gz NRKRMXKLUYABJD-AWEZNQCLSA-N 2 0 298.431 -0.491 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]([NH3+])CCSC)CC1 ZINC000431003603 208195699 /nfs/dbraw/zinc/19/56/99/208195699.db2.gz PMLWTVJMFWUTHW-LBPRGKRZSA-N 2 0 288.461 -0.180 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2CC[NH2+][C@H](C)C2)CC1 ZINC000430969496 208197052 /nfs/dbraw/zinc/19/70/52/208197052.db2.gz DDZLOONZHFAAPE-GFCCVEGCSA-N 2 0 268.405 -0.119 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000431023508 208197957 /nfs/dbraw/zinc/19/79/57/208197957.db2.gz RFBAQABLCRRABG-FRRDWIJNSA-N 2 0 268.405 -0.134 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000431023626 208198328 /nfs/dbraw/zinc/19/83/28/208198328.db2.gz SDKNQLMWLXEZGQ-NWDGAFQWSA-N 2 0 256.394 -0.278 20 0 CBADRP C[NH+]1CCN(c2ccc(CNC(=O)C[NH3+])cn2)CC1 ZINC000431025917 208199084 /nfs/dbraw/zinc/19/90/84/208199084.db2.gz QGOIKRZKLOXVBQ-UHFFFAOYSA-N 2 0 263.345 -0.592 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000431009965 208200194 /nfs/dbraw/zinc/20/01/94/208200194.db2.gz LQVUZNDVPYRNAV-NWDGAFQWSA-N 2 0 256.394 -0.278 20 0 CBADRP C[NH+]1CCC(CCNC(=O)COC2C[NH2+]C2)CC1 ZINC000431059639 208200984 /nfs/dbraw/zinc/20/09/84/208200984.db2.gz COERTAKILHOJRJ-UHFFFAOYSA-N 2 0 255.362 -0.177 20 0 CBADRP CN1CCC[C@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)C1=O ZINC000433121369 208237513 /nfs/dbraw/zinc/23/75/13/208237513.db2.gz RKEUEHLGVMQNKO-ZDUSSCGKSA-N 2 0 296.415 -0.073 20 0 CBADRP COC(=O)[C@H](C)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433128987 208238771 /nfs/dbraw/zinc/23/87/71/208238771.db2.gz YBFNKMDRJSOLKY-JTQLQIEISA-N 2 0 271.361 -0.133 20 0 CBADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H]2CCCCNC2=O)CC1 ZINC000433164658 208239034 /nfs/dbraw/zinc/23/90/34/208239034.db2.gz FWVZJRXFOZVCKO-ZDUSSCGKSA-N 2 0 296.415 -0.025 20 0 CBADRP CC(C)[C@H](C[NH3+])C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000433167771 208239774 /nfs/dbraw/zinc/23/97/74/208239774.db2.gz JWYJQRXCANZTRO-STQMWFEESA-N 2 0 270.421 -0.031 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000434692163 208265442 /nfs/dbraw/zinc/26/54/42/208265442.db2.gz WFVLSWIFXRJPIN-GHMZBOCLSA-N 2 0 270.377 -0.430 20 0 CBADRP C[C@H]([NH3+])CCC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000434676635 208266285 /nfs/dbraw/zinc/26/62/85/208266285.db2.gz SRJCMTKZQWQWOY-RYUDHWBXSA-N 2 0 256.394 -0.134 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NC[C@H](C)C[NH3+])CC1 ZINC000441616569 208351507 /nfs/dbraw/zinc/35/15/07/208351507.db2.gz UMRVIWQQISUXDC-GFCCVEGCSA-N 2 0 256.394 -0.275 20 0 CBADRP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)C(=O)N(C)C ZINC000443055343 208378006 /nfs/dbraw/zinc/37/80/06/208378006.db2.gz BGLBQFYRKWNVQD-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000574862099 335053049 /nfs/dbraw/zinc/05/30/49/335053049.db2.gz CPPMGIVNBIHIDX-NWDGAFQWSA-N 2 0 271.409 -0.356 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000334958504 285214394 /nfs/dbraw/zinc/21/43/94/285214394.db2.gz WTXKHVSWBJYDJU-GDNZZTSVSA-N 2 0 252.362 -0.059 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)NC ZINC000429246184 285251197 /nfs/dbraw/zinc/25/11/97/285251197.db2.gz FTIWCWNSSJPOAY-GFCCVEGCSA-N 2 0 292.449 -0.202 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNC(N)=O ZINC000338095112 285276450 /nfs/dbraw/zinc/27/64/50/285276450.db2.gz VDXMAHQYJNJJEX-LBPRGKRZSA-N 2 0 299.419 -0.471 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000655164640 413030936 /nfs/dbraw/zinc/03/09/36/413030936.db2.gz SNNPKVCPIOLYLS-ZDUSSCGKSA-N 2 0 296.415 -0.439 20 0 CBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](C)[NH3+])CC1 ZINC000340184142 285318588 /nfs/dbraw/zinc/31/85/88/285318588.db2.gz PYUZXEACNXOTIP-NWDGAFQWSA-N 2 0 256.394 -0.277 20 0 CBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](C[NH3+])OC)CC1 ZINC000353511747 285318681 /nfs/dbraw/zinc/31/86/81/285318681.db2.gz KHZKBZJNKPISAT-QWHCGFSZSA-N 2 0 286.420 -0.650 20 0 CBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H](C[NH3+])OC)CC1 ZINC000353511742 285322080 /nfs/dbraw/zinc/32/20/80/285322080.db2.gz KHZKBZJNKPISAT-CHWSQXEVSA-N 2 0 286.420 -0.650 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](C[NH3+])OC)CC1 ZINC000353450542 285332100 /nfs/dbraw/zinc/33/21/00/285332100.db2.gz OMTBQCAJGUNOBV-NWDGAFQWSA-N 2 0 272.393 -0.898 20 0 CBADRP C[NH+](C)CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000171339725 335063055 /nfs/dbraw/zinc/06/30/55/335063055.db2.gz OUJSZCAQFYGWPN-UHFFFAOYSA-N 2 0 282.388 -0.685 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NCC1([NH+](C)C)CCC1 ZINC000418057290 289051070 /nfs/dbraw/zinc/05/10/70/289051070.db2.gz IOIJTTGSWRKVCE-GFCCVEGCSA-N 2 0 283.420 -0.327 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419145562 286805360 /nfs/dbraw/zinc/80/53/60/286805360.db2.gz HNTYAUMJNDHTPL-RWMBFGLXSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)NC[C@@H]2COCC[NH2+]2)n1 ZINC000528679595 409646854 /nfs/dbraw/zinc/64/68/54/409646854.db2.gz YYNIZLRAZNHCIE-LLVKDONJSA-N 2 0 296.375 -0.445 20 0 CBADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000179855838 287085577 /nfs/dbraw/zinc/08/55/77/287085577.db2.gz LVRCUEJSRAGBGW-OCCSQVGLSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(N)=O)CC1 ZINC000105861992 287086630 /nfs/dbraw/zinc/08/66/30/287086630.db2.gz OGMONRTZDITQTC-MNOVXSKESA-N 2 0 257.378 -0.115 20 0 CBADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000332092149 287218806 /nfs/dbraw/zinc/21/88/06/287218806.db2.gz BSQMQVNRZAVKMZ-YNEHKIRRSA-N 2 0 294.399 -0.450 20 0 CBADRP COCC[NH2+]CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000368617144 292558579 /nfs/dbraw/zinc/55/85/79/292558579.db2.gz YLYOFDNVZHXWMF-TUAOUCFPSA-N 2 0 255.362 -0.192 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000369167671 292563051 /nfs/dbraw/zinc/56/30/51/292563051.db2.gz PFPKIEVRRVHNID-DGCLKSJQSA-N 2 0 255.362 -0.272 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC000662747177 413991232 /nfs/dbraw/zinc/99/12/32/413991232.db2.gz UMGFQEZKQDMJQG-UTUOFQBUSA-N 2 0 255.362 -0.192 20 0 CBADRP C[N@H+](CCNC(=O)C1(O)C[NH2+]C1)Cc1ccc(F)cc1 ZINC000662750012 413991422 /nfs/dbraw/zinc/99/14/22/413991422.db2.gz QXUXTTVADKUAQV-UHFFFAOYSA-N 2 0 281.331 -0.292 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662746781 413991787 /nfs/dbraw/zinc/99/17/87/413991787.db2.gz NYZZVAFYQCVRGH-XYPYZODXSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[C@H]1F ZINC000662749099 413991901 /nfs/dbraw/zinc/99/19/01/413991901.db2.gz KDNWUNKFDUAZCE-MXWKQRLJSA-N 2 0 286.351 -0.858 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662754119 413992260 /nfs/dbraw/zinc/99/22/60/413992260.db2.gz DMZOPIWXBFLRBJ-IXOXFDKPSA-N 2 0 267.373 -0.051 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662750971 413992602 /nfs/dbraw/zinc/99/26/02/413992602.db2.gz WPOFKBQZGXDMIX-UPJWGTAASA-N 2 0 287.404 -0.177 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@H](N)CC[NH+](C)C)[C@H](C[NH3+])C1 ZINC000662896557 414062061 /nfs/dbraw/zinc/06/20/61/414062061.db2.gz NXXWPTRPRKGMMC-GRYCIOLGSA-N 2 0 256.394 -0.149 20 0 CBADRP CN(C(=O)[C@H]1CC[NH2+]1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900989 414058986 /nfs/dbraw/zinc/05/89/86/414058986.db2.gz QZRLBFKHDNZHCV-ZIAGYGMSSA-N 2 0 280.416 -0.025 20 0 CBADRP C[C@H]([NH3+])C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900536 414059500 /nfs/dbraw/zinc/05/95/00/414059500.db2.gz NCRGZCODKNMEOJ-WCQYABFASA-N 2 0 268.405 -0.040 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040600326 174350736 /nfs/dbraw/zinc/35/07/36/174350736.db2.gz IKUHAFKXXDBPQU-SNVBAGLBSA-N 2 0 256.350 -0.237 20 0 CBADRP O=C(NCCC[NH+]1CCCCC1)[C@@H]1C[NH2+]CCO1 ZINC000043707937 175100919 /nfs/dbraw/zinc/10/09/19/175100919.db2.gz SKNICUMIVKEZGR-LBPRGKRZSA-N 2 0 255.362 -0.033 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000043708252 175101129 /nfs/dbraw/zinc/10/11/29/175101129.db2.gz FMNWYLJDLHLOEU-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000043708137 175101247 /nfs/dbraw/zinc/10/12/47/175101247.db2.gz VPGATJZZDKGIQG-LBPRGKRZSA-N 2 0 255.362 -0.083 20 0 CBADRP CC[NH+]1CCC(CNC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000575138998 335071866 /nfs/dbraw/zinc/07/18/66/335071866.db2.gz RZKYFQIFGMKOPH-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP C[N@H+](CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1)C1CCCC1 ZINC000071378684 176143454 /nfs/dbraw/zinc/14/34/54/176143454.db2.gz KFZMHIFNSOASKG-NWDGAFQWSA-N 2 0 255.362 -0.300 20 0 CBADRP CC(C)([NH3+])c1nocc1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000575195013 335079163 /nfs/dbraw/zinc/07/91/63/335079163.db2.gz YULLQEDJHIKREL-QMSLJYSESA-N 2 0 250.302 -0.184 20 0 CBADRP C[C@@H](CN1CCOCC1)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085360172 544431215 /nfs/dbraw/zinc/43/12/15/544431215.db2.gz FLOTZNUWEUOGNS-TUAOUCFPSA-N 2 0 255.362 -0.049 20 0 CBADRP CC(C)C[C@H](CNC(=O)c1cn(CC[NH3+])nn1)[NH+](C)C ZINC000089700255 544436658 /nfs/dbraw/zinc/43/66/58/544436658.db2.gz ANPRZMMYMWAAMW-LLVKDONJSA-N 2 0 282.392 -0.057 20 0 CBADRP CC[NH+]1CCC(CNC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000089700679 544437967 /nfs/dbraw/zinc/43/79/67/544437967.db2.gz YCDGDBIOXWOITF-UHFFFAOYSA-N 2 0 280.376 -0.302 20 0 CBADRP O=C(C(=O)N1CCC[NH2+]CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000094463777 544443844 /nfs/dbraw/zinc/44/38/44/544443844.db2.gz GZFVXSQGJTYAIF-LBPRGKRZSA-N 2 0 280.372 -0.885 20 0 CBADRP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)CN1CCOCC1 ZINC000226871683 544492432 /nfs/dbraw/zinc/49/24/32/544492432.db2.gz CBQJMKPFAQIDAY-RBSFLKMASA-N 2 0 283.416 -0.104 20 0 CBADRP Cn1cc(CC[N@H+](C)CCN2CC[NH2+]CC2)cn1 ZINC000226420407 544493158 /nfs/dbraw/zinc/49/31/58/544493158.db2.gz XRWXURKZOUFKDX-UHFFFAOYSA-N 2 0 251.378 -0.200 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)nn1 ZINC000227629823 544494242 /nfs/dbraw/zinc/49/42/42/544494242.db2.gz OIOZEFHXTYXEEA-PWSUYJOCSA-N 2 0 278.360 -0.407 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)c3cn(CC[NH3+])nn3)CC[C@H]21 ZINC000227334178 544494638 /nfs/dbraw/zinc/49/46/38/544494638.db2.gz FYTXDVQKGCIAFT-WCQYABFASA-N 2 0 292.387 -0.207 20 0 CBADRP CC(=O)N[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000228271467 544497408 /nfs/dbraw/zinc/49/74/08/544497408.db2.gz YWRDYTMZEKZMNZ-GFCCVEGCSA-N 2 0 268.361 -0.981 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCNC(=O)C1 ZINC000155462503 544470314 /nfs/dbraw/zinc/47/03/14/544470314.db2.gz DBLFYKSVZDQCRP-GFCCVEGCSA-N 2 0 284.404 -0.536 20 0 CBADRP COC[C@H](C)OC[C@@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000234724634 544502919 /nfs/dbraw/zinc/50/29/19/544502919.db2.gz WGEDLTNXDPNGPQ-RVMXOQNASA-N 2 0 258.362 -0.450 20 0 CBADRP CC(C)C[C@@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000236711702 544506322 /nfs/dbraw/zinc/50/63/22/544506322.db2.gz UDAZOJIVMCXEFZ-GFCCVEGCSA-N 2 0 256.394 -0.229 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2CCCC[NH2+]2)CC1=O ZINC000237162210 544508565 /nfs/dbraw/zinc/50/85/65/544508565.db2.gz HIPOILFMJFCVFN-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP [NH3+]C1(CC(=O)NCCCN2CC[NH2+]CC2)CCC1 ZINC000237810391 544509577 /nfs/dbraw/zinc/50/95/77/544509577.db2.gz SLRYZDKPHTXDIZ-UHFFFAOYSA-N 2 0 254.378 -0.331 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261643034 544516111 /nfs/dbraw/zinc/51/61/11/544516111.db2.gz AXOPSIYHKINWCG-GRYCIOLGSA-N 2 0 253.346 -0.567 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000037631642 419414479 /nfs/dbraw/zinc/41/44/79/419414479.db2.gz QDGCCLRCNYENGY-STQMWFEESA-N 2 0 266.389 -0.365 20 0 CBADRP Cc1nc(N)nc(N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)n1 ZINC000631314828 419481284 /nfs/dbraw/zinc/48/12/84/419481284.db2.gz SSGMAKQBJADWFN-IUCAKERBSA-N 2 0 266.349 -0.346 20 0 CBADRP C[NH+](C/C=C\C[N@@H+](C)C(C)(C)C(N)=O)C(C)(C)C(N)=O ZINC000660648825 419420983 /nfs/dbraw/zinc/42/09/83/419420983.db2.gz XQKRCZZQDCFFEH-FPLPWBNLSA-N 2 0 284.404 -0.066 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N(C)CC2C[NH+](C)C2)C1 ZINC000660704508 419427798 /nfs/dbraw/zinc/42/77/98/419427798.db2.gz OXMNIICQMGGDKX-CYBMUJFWSA-N 2 0 284.404 -0.090 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044680849 419428260 /nfs/dbraw/zinc/42/82/60/419428260.db2.gz HWYSCADKTJFKAG-NSHDSACASA-N 2 0 252.362 -0.756 20 0 CBADRP NC(=O)C[N@H+](CCC(=O)N1CC[NH2+]CC1)C1CCCC1 ZINC000053298918 419456823 /nfs/dbraw/zinc/45/68/23/419456823.db2.gz ZRGQUWSVGBJESP-UHFFFAOYSA-N 2 0 282.388 -0.462 20 0 CBADRP C[C@H](CNC(=O)CN1CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000062073795 419460586 /nfs/dbraw/zinc/46/05/86/419460586.db2.gz MSNBUCCYUNEALR-CYBMUJFWSA-N 2 0 268.405 -0.260 20 0 CBADRP COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661143613 419470605 /nfs/dbraw/zinc/47/06/05/419470605.db2.gz UZNUSLSSFHQODT-UONOGXRCSA-N 2 0 297.403 -0.461 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@]2(C[NH3+])CCCOC2)n1 ZINC000638088772 419525024 /nfs/dbraw/zinc/52/50/24/419525024.db2.gz KBJBASWENSNGJG-AWEZNQCLSA-N 2 0 295.387 0.139 20 0 CBADRP CC[NH2+][C@H](C)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000638088292 419525891 /nfs/dbraw/zinc/52/58/91/419525891.db2.gz FIKBNHZIKLRGSQ-SNVBAGLBSA-N 2 0 253.350 0.381 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)C2=CC[C@@H]([NH3+])C2)n1 ZINC000638088180 419526168 /nfs/dbraw/zinc/52/61/68/419526168.db2.gz DAAGMACEVNHENH-LLVKDONJSA-N 2 0 263.345 0.431 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394372384 544578547 /nfs/dbraw/zinc/57/85/47/544578547.db2.gz LGKRFLLNZCAOSP-NWDGAFQWSA-N 2 0 254.378 -0.524 20 0 CBADRP CC[C@H](C(=O)Nc1nn(C)c(C)c1C[NH3+])[NH+](C)C ZINC000638403519 419529791 /nfs/dbraw/zinc/52/97/91/419529791.db2.gz UJQLXSLAJSVCMO-SNVBAGLBSA-N 2 0 253.350 0.466 20 0 CBADRP C([C@@H]1C[NH2+]CCO1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000662259436 419568138 /nfs/dbraw/zinc/56/81/38/419568138.db2.gz XOYYRUJCICHDNL-KGLIPLIRSA-N 2 0 269.389 -0.229 20 0 CBADRP C[N@H+](C[C@@H](O)CN1CCC([NH+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000662150680 419549502 /nfs/dbraw/zinc/54/95/02/419549502.db2.gz ACHBBNZUTMXBBI-HZPDHXFCSA-N 2 0 297.443 -0.028 20 0 CBADRP Cn1ccnc1[C@H]1C[NH2+]CCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662274299 419568367 /nfs/dbraw/zinc/56/83/67/419568367.db2.gz UPMPNHAJVSQHCI-CHWSQXEVSA-N 2 0 291.399 -0.113 20 0 CBADRP CCN1CC[C@H]([N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000662244505 419558828 /nfs/dbraw/zinc/55/88/28/419558828.db2.gz RAFGYSHIIASIGT-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP CNC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252155 419561742 /nfs/dbraw/zinc/56/17/42/419561742.db2.gz KPZGHSLTICUOFZ-WDEREUQCSA-N 2 0 253.346 -0.282 20 0 CBADRP O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256805 419564265 /nfs/dbraw/zinc/56/42/65/419564265.db2.gz KSXNYBZKYMQUKN-WOPDTQHZSA-N 2 0 265.357 -0.140 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000126232771 419495664 /nfs/dbraw/zinc/49/56/64/419495664.db2.gz ISWKAIUSKPKGGJ-JQWIXIFHSA-N 2 0 270.377 -0.704 20 0 CBADRP COCC[NH+]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662260408 419566703 /nfs/dbraw/zinc/56/67/03/419566703.db2.gz KYNYIVDXZUWZOB-CYBMUJFWSA-N 2 0 269.389 -0.229 20 0 CBADRP O=C(C[NH2+]C1CC1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394379600 544579066 /nfs/dbraw/zinc/57/90/66/544579066.db2.gz DKSLEJUYFLBLFV-LBPRGKRZSA-N 2 0 252.362 -0.756 20 0 CBADRP O=C(C[NH2+]C1CC1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394379599 544579613 /nfs/dbraw/zinc/57/96/13/544579613.db2.gz DKSLEJUYFLBLFV-GFCCVEGCSA-N 2 0 252.362 -0.756 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C1([NH3+])CCCC1 ZINC000647687332 419634894 /nfs/dbraw/zinc/63/48/94/419634894.db2.gz MVDNZCMGNWOWFQ-UHFFFAOYSA-N 2 0 268.361 -0.852 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000647711805 419636854 /nfs/dbraw/zinc/63/68/54/419636854.db2.gz GZFHIPDXTSAVAA-KGLIPLIRSA-N 2 0 299.415 -0.472 20 0 CBADRP CNC(=O)[C@@H](C)C[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662259334 419569578 /nfs/dbraw/zinc/56/95/78/419569578.db2.gz VDOCUWHQXKEXFG-QWRGUYRKSA-N 2 0 255.362 -0.179 20 0 CBADRP CC[C@@H]1CN(C[C@@H]2C[NH2+]CCO2)CC[N@@H+]1C[C@H](C)O ZINC000662262180 419570100 /nfs/dbraw/zinc/57/01/00/419570100.db2.gz SDDQMDWTOCGLDW-MJBXVCDLSA-N 2 0 271.405 -0.248 20 0 CBADRP C[C@H]1C(=O)NCCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662280045 419571738 /nfs/dbraw/zinc/57/17/38/419571738.db2.gz XMZBODNTZSGFLV-QWRGUYRKSA-N 2 0 253.346 -0.282 20 0 CBADRP O=C(COC1CC[NH2+]CC1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394397023 544580391 /nfs/dbraw/zinc/58/03/91/544580391.db2.gz BUSJHMSQEGATCP-ZDUSSCGKSA-N 2 0 296.415 -0.739 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000236838071 419572726 /nfs/dbraw/zinc/57/27/26/419572726.db2.gz PUBPENMDAHRMFW-UHFFFAOYSA-N 2 0 298.431 -0.016 20 0 CBADRP CN(C)C(=O)NCC[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662281120 419574850 /nfs/dbraw/zinc/57/48/50/419574850.db2.gz SZZKYNCOCKSPKI-NSHDSACASA-N 2 0 270.377 -0.290 20 0 CBADRP [NH3+]C1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CCC1 ZINC000394380053 544580791 /nfs/dbraw/zinc/58/07/91/544580791.db2.gz GGSHMCRVLATOTP-NSHDSACASA-N 2 0 252.362 -0.626 20 0 CBADRP [NH3+]C[C@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)CCCO1 ZINC000662283030 419575783 /nfs/dbraw/zinc/57/57/83/419575783.db2.gz ZQCINTITQDDMLL-RYUDHWBXSA-N 3 0 255.362 -0.443 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)Cc1ccccc1 ZINC000237149009 419575983 /nfs/dbraw/zinc/57/59/83/419575983.db2.gz XVNSRKWZIMMUCS-RBSFLKMASA-N 2 0 291.395 -0.002 20 0 CBADRP OCC1([NH2+]CCCN2CCOCC2)CC[NH2+]CC1 ZINC000662287260 419576488 /nfs/dbraw/zinc/57/64/88/419576488.db2.gz XHYGYYOTWIFFBQ-UHFFFAOYSA-N 2 0 257.378 -0.587 20 0 CBADRP COCC[NH2+]C1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662286529 419578320 /nfs/dbraw/zinc/57/83/20/419578320.db2.gz QAVGZNMTNRCGAI-CYBMUJFWSA-N 2 0 257.378 -0.325 20 0 CBADRP CC(C)([NH3+])CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394383100 544581159 /nfs/dbraw/zinc/58/11/59/544581159.db2.gz VYMSFNSODJDOQY-NSHDSACASA-N 2 0 254.378 -0.380 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394381428 544581205 /nfs/dbraw/zinc/58/12/05/544581205.db2.gz RTENYEQVCAVWAB-QWHCGFSZSA-N 2 0 298.456 -0.412 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CCC[NH2+]C1 ZINC000394386194 544581396 /nfs/dbraw/zinc/58/13/96/544581396.db2.gz OQUKDJVOLLUCDW-OLZOCXBDSA-N 2 0 266.389 -0.508 20 0 CBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000662296609 419580940 /nfs/dbraw/zinc/58/09/40/419580940.db2.gz TZDMDVMBHVIXHM-NEPJUHHUSA-N 2 0 253.350 -0.430 20 0 CBADRP [NH3+]CCN(CCC[NH+]1CCCCC1)C[C@H](O)CO ZINC000662289179 419582394 /nfs/dbraw/zinc/58/23/94/419582394.db2.gz XDIUQMVMHYPXIH-ZDUSSCGKSA-N 2 0 259.394 -0.524 20 0 CBADRP C[C@@H](CNC(=O)[C@]1(C)CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000237609873 419583111 /nfs/dbraw/zinc/58/31/11/419583111.db2.gz PHYIFCJUUJTXFT-GXTWGEPZSA-N 2 0 268.405 -0.262 20 0 CBADRP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000662316208 419583337 /nfs/dbraw/zinc/58/33/37/419583337.db2.gz JHWOSFVDMOIDTM-CYBMUJFWSA-N 2 0 283.420 -0.421 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CCC[NH2+]C1 ZINC000394386193 544581878 /nfs/dbraw/zinc/58/18/78/544581878.db2.gz OQUKDJVOLLUCDW-CHWSQXEVSA-N 2 0 266.389 -0.508 20 0 CBADRP [NH3+]C1(CC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CCC1 ZINC000394386890 544582028 /nfs/dbraw/zinc/58/20/28/544582028.db2.gz BHEWQNFAAIERFY-LBPRGKRZSA-N 2 0 266.389 -0.236 20 0 CBADRP C[C@@]12COC[C@H]1C[N@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000662310732 419585621 /nfs/dbraw/zinc/58/56/21/419585621.db2.gz MQYKCAXPDVOWBI-TZMCWYRMSA-N 2 0 267.373 -0.223 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@@H](CN2CCC[C@H]([NH3+])C2)C1 ZINC000647482261 419592682 /nfs/dbraw/zinc/59/26/82/419592682.db2.gz RFXWWTOYCUAWOB-RYUDHWBXSA-N 2 0 254.378 -0.393 20 0 CBADRP Nc1cc[nH+]cc1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394706408 544582916 /nfs/dbraw/zinc/58/29/16/544582916.db2.gz SXPVWJAGWFMHRK-LLVKDONJSA-N 2 0 275.356 -0.386 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662395270 419593414 /nfs/dbraw/zinc/59/34/14/419593414.db2.gz KTEPUMJIXFOWJV-ZJUUUORDSA-N 2 0 263.345 -0.032 20 0 CBADRP C[N@H+](CCN1CCCS1(=O)=O)CC1CC[NH2+]CC1 ZINC000647371686 419593757 /nfs/dbraw/zinc/59/37/57/419593757.db2.gz WLDIIHJHPHXITJ-UHFFFAOYSA-N 2 0 275.418 -0.047 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000647492572 419594548 /nfs/dbraw/zinc/59/45/48/419594548.db2.gz KWYZYPVROFELPX-AWEZNQCLSA-N 3 0 297.447 -0.979 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)c1cccc2c1C[NH2+]C2 ZINC000662400452 419595180 /nfs/dbraw/zinc/59/51/80/419595180.db2.gz XTVBALSQENLKEC-UHFFFAOYSA-N 2 0 274.368 -0.075 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662401395 419595344 /nfs/dbraw/zinc/59/53/44/419595344.db2.gz TZGIDPVPAPRWAZ-LBPRGKRZSA-N 2 0 282.388 -0.735 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662403237 419595555 /nfs/dbraw/zinc/59/55/55/419595555.db2.gz BXXQCIGHWMAWGJ-JTQLQIEISA-N 2 0 268.361 -0.819 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662401709 419596006 /nfs/dbraw/zinc/59/60/06/419596006.db2.gz QMEQXKXAGRAJBG-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccccc2CO)CC1 ZINC000647519477 419597983 /nfs/dbraw/zinc/59/79/83/419597983.db2.gz JFHWNIITGDWPTC-INIZCTEOSA-N 2 0 293.411 -0.123 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662411325 419600266 /nfs/dbraw/zinc/60/02/66/419600266.db2.gz ANTXPCKEMZUKSS-LBPRGKRZSA-N 2 0 268.405 -0.262 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(CO)cc2)CC1 ZINC000647523053 419600896 /nfs/dbraw/zinc/60/08/96/419600896.db2.gz KUCOSHLZLPOAES-MRXNPFEDSA-N 2 0 293.411 -0.123 20 0 CBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662425575 419601397 /nfs/dbraw/zinc/60/13/97/419601397.db2.gz JXCCFEMKLLRGGF-WRWGMCAJSA-N 2 0 253.346 -0.297 20 0 CBADRP Cn1cc(C[NH+]2CCC(C)([NH3+])CC2)c(=O)n(C)c1=O ZINC000647531171 419602272 /nfs/dbraw/zinc/60/22/72/419602272.db2.gz FGLACQSRNYSFJB-UHFFFAOYSA-N 2 0 266.345 -0.603 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000662430971 419607178 /nfs/dbraw/zinc/60/71/78/419607178.db2.gz FWIAOBDIENOVCW-DCAQKATOSA-N 2 0 259.350 -0.687 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000647727147 419640233 /nfs/dbraw/zinc/64/02/33/419640233.db2.gz MZDDLUZEUPGWRQ-LLVKDONJSA-N 2 0 282.388 -0.429 20 0 CBADRP Cn1cc(CC[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cn1 ZINC000311339332 419617974 /nfs/dbraw/zinc/61/79/74/419617974.db2.gz HMYKHNGQVIPIGM-CQSZACIVSA-N 2 0 263.389 -0.058 20 0 CBADRP C[C@H](NC(=O)c1cn(CC[NH3+])nn1)C(C)(C)C[NH+](C)C ZINC000662474379 419618094 /nfs/dbraw/zinc/61/80/94/419618094.db2.gz WDZNZLREKYDJFE-JTQLQIEISA-N 2 0 282.392 -0.057 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000647595065 419619384 /nfs/dbraw/zinc/61/93/84/419619384.db2.gz LMNMSXAWJUUUCC-TUAOUCFPSA-N 2 0 296.415 -0.005 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000647597727 419620056 /nfs/dbraw/zinc/62/00/56/419620056.db2.gz KBNWLWRHXLNOFD-DCAQKATOSA-N 2 0 270.377 -0.561 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@](CO)(OC)C1 ZINC000401813914 544585648 /nfs/dbraw/zinc/58/56/48/544585648.db2.gz WESZBTBGXFYXEF-STQMWFEESA-N 2 0 260.378 -0.228 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CC[C@@H]3OCC[C@@H]3C2)C1=O ZINC000647600758 419622807 /nfs/dbraw/zinc/62/28/07/419622807.db2.gz HULGSMFBPUEFLK-UPJWGTAASA-N 2 0 295.383 -0.214 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)O1 ZINC000662514017 419625809 /nfs/dbraw/zinc/62/58/09/419625809.db2.gz JHQHJSXLPKNEAP-FVCCEPFGSA-N 2 0 267.373 -0.084 20 0 CBADRP Cc1cnn(CC[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000312336856 419625978 /nfs/dbraw/zinc/62/59/78/419625978.db2.gz KDAHSZYWBVWYNY-ZDUSSCGKSA-N 2 0 279.388 -0.022 20 0 CBADRP C[NH+](C)CC(=O)N[C@H]1CCC[C@@H]1NC(=O)C[NH+](C)C ZINC000647620705 419627008 /nfs/dbraw/zinc/62/70/08/419627008.db2.gz ZBSSWKAJNIRNAZ-QWRGUYRKSA-N 2 0 270.377 -0.737 20 0 CBADRP C[NH+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C[NH+](C)C ZINC000647620703 419628282 /nfs/dbraw/zinc/62/82/82/419628282.db2.gz ZBSSWKAJNIRNAZ-GHMZBOCLSA-N 2 0 270.377 -0.737 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000662516793 419628734 /nfs/dbraw/zinc/62/87/34/419628734.db2.gz GNXSCPXTEYSUKP-RYUDHWBXSA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn(CC[NH3+])nn2)[C@H](C)C[NH2+]1 ZINC000662514189 419630006 /nfs/dbraw/zinc/63/00/06/419630006.db2.gz LDKKOUPKBFUWTH-RKDXNWHRSA-N 2 0 252.322 -0.941 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N(C1CC1)C1CC[NH2+]CC1 ZINC000647643610 419630352 /nfs/dbraw/zinc/63/03/52/419630352.db2.gz KOYQNQIWGZZAJW-CYBMUJFWSA-N 2 0 294.399 -0.402 20 0 CBADRP O=C([C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000647824830 419662916 /nfs/dbraw/zinc/66/29/16/419662916.db2.gz YYHCZJUOFSVXLE-KBPBESRZSA-N 3 0 280.416 -0.260 20 0 CBADRP CC(C)N1CC[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000647835970 419666192 /nfs/dbraw/zinc/66/61/92/419666192.db2.gz WWHBAMZZOYOVGB-CYBMUJFWSA-N 2 0 268.405 -0.167 20 0 CBADRP CC1(OCC(=O)N[C@H]2CCCC[C@H]2C[NH3+])C[NH2+]C1 ZINC000647829477 419666288 /nfs/dbraw/zinc/66/62/88/419666288.db2.gz MKFLAOGYOHNKFV-QWRGUYRKSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]C[C@H](NC(=O)C1(n2cccn2)CC[NH2+]CC1)C1CC1 ZINC000647833332 419666330 /nfs/dbraw/zinc/66/63/30/419666330.db2.gz RUYNNJSIHYDGIG-LBPRGKRZSA-N 2 0 277.372 -0.185 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCC[NH3+] ZINC000662658755 419669623 /nfs/dbraw/zinc/66/96/23/419669623.db2.gz DHFMCTIDOXKHGO-UHFFFAOYSA-N 2 0 258.366 -0.796 20 0 CBADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662658720 419670212 /nfs/dbraw/zinc/67/02/12/419670212.db2.gz JLPZKLPKVROEOL-LLVKDONJSA-N 2 0 257.378 -0.053 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc(C[NH3+])o1 ZINC000662659147 419671711 /nfs/dbraw/zinc/67/17/11/419671711.db2.gz IEURQXUBNFODFS-UHFFFAOYSA-N 2 0 296.371 -0.170 20 0 CBADRP CCC[NH2+][C@@H](C)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000662660933 419672642 /nfs/dbraw/zinc/67/26/42/419672642.db2.gz ZWZPHNBFPRBTTR-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000662659203 419672754 /nfs/dbraw/zinc/67/27/54/419672754.db2.gz JIXUZHMZJOVZGP-NSHDSACASA-N 2 0 272.393 -0.537 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662663375 419674499 /nfs/dbraw/zinc/67/44/99/419674499.db2.gz DWJGFSCREVMCDQ-NEPJUHHUSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)Cc1ccccc1CNC(=O)C1(O)C[NH2+]C1 ZINC000662671947 419678969 /nfs/dbraw/zinc/67/89/69/419678969.db2.gz QFTTVGBJMMKITL-UHFFFAOYSA-N 2 0 263.341 -0.301 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662685880 419680975 /nfs/dbraw/zinc/68/09/75/419680975.db2.gz ZYHVHEBTHDMUHS-VXGBXAGGSA-N 2 0 273.377 -0.565 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000662682508 419681233 /nfs/dbraw/zinc/68/12/33/419681233.db2.gz ILVHJYJBISMQNS-HAQNSBGRSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000662684872 419683197 /nfs/dbraw/zinc/68/31/97/419683197.db2.gz KSVHVNNMZGAXAU-CHWSQXEVSA-N 2 0 267.373 -0.096 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000647877433 419683410 /nfs/dbraw/zinc/68/34/10/419683410.db2.gz QJTYYWWALVZJBD-GMXVVIOVSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC000647878397 419685008 /nfs/dbraw/zinc/68/50/08/419685008.db2.gz BRCSQBPYAAWBHZ-QCNOEVLYSA-N 2 0 255.362 -0.099 20 0 CBADRP C[C@H]1CCC[C@@](CNC(=O)C2(O)C[NH2+]C2)([NH+](C)C)C1 ZINC000662693763 419686330 /nfs/dbraw/zinc/68/63/30/419686330.db2.gz XRILZHLKTMNUHD-WCQYABFASA-N 2 0 269.389 -0.053 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000337882526 419687878 /nfs/dbraw/zinc/68/78/78/419687878.db2.gz SNSUOXKTSBQSTR-NWDGAFQWSA-N 2 0 282.388 -0.558 20 0 CBADRP C[NH+]1CCC(CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662700009 419688170 /nfs/dbraw/zinc/68/81/70/419688170.db2.gz GTKWWRGDQVFNPJ-NWDGAFQWSA-N 2 0 255.362 -0.192 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])cn1 ZINC000662701211 419688520 /nfs/dbraw/zinc/68/85/20/419688520.db2.gz MVJLTDNMZAIGEH-NWDGAFQWSA-N 2 0 281.360 -0.253 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)[C@H]2CCO[C@H]2C[NH3+])cn1 ZINC000662701213 419688963 /nfs/dbraw/zinc/68/89/63/419688963.db2.gz MVJLTDNMZAIGEH-RYUDHWBXSA-N 2 0 281.360 -0.253 20 0 CBADRP C[C@H](CNC(=O)C1(O)C[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000662699566 419689567 /nfs/dbraw/zinc/68/95/67/419689567.db2.gz CFRCKCLLUTWJJI-LLVKDONJSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662695818 419689688 /nfs/dbraw/zinc/68/96/88/419689688.db2.gz PYQDALUJSWTYJY-NSHDSACASA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@H]1[NH2+]CCN(CCC(=O)N2CC[NH2+]CC2)[C@H]1C ZINC000647941225 419694159 /nfs/dbraw/zinc/69/41/59/419694159.db2.gz MHNUHRKPFVVSHQ-NEPJUHHUSA-N 2 0 254.378 -0.510 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CC2([NH3+])CC2)C1 ZINC000662706441 419695931 /nfs/dbraw/zinc/69/59/31/419695931.db2.gz VWIVPERELPGSNZ-NSHDSACASA-N 2 0 282.388 -0.429 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000662702843 419695981 /nfs/dbraw/zinc/69/59/81/419695981.db2.gz NWBUVHYNCNTJQP-JLLWLGSASA-N 2 0 253.346 -0.297 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662712124 419696739 /nfs/dbraw/zinc/69/67/39/419696739.db2.gz RHFLVSKMGCRNRA-IJLUTSLNSA-N 2 0 255.362 -0.049 20 0 CBADRP COC[C@]1(C(=O)NCC23CC(C2)C[NH2+]3)CC[NH2+]C1 ZINC000662718631 419698071 /nfs/dbraw/zinc/69/80/71/419698071.db2.gz NBRUPSJAGFTKIS-YDGIUTOCSA-N 2 0 253.346 -0.519 20 0 CBADRP O=C(N1CC[C@@H]([NH+]2CCCCC2)C1)C1(O)C[NH2+]C1 ZINC000662718657 419698196 /nfs/dbraw/zinc/69/81/96/419698196.db2.gz RGGXYKUDTKTUNJ-LLVKDONJSA-N 2 0 253.346 -0.593 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662713327 419698529 /nfs/dbraw/zinc/69/85/29/419698529.db2.gz YWKWCKUUKIZZFT-JHJVBQTASA-N 2 0 285.388 -0.423 20 0 CBADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C1(O)C[NH2+]C1 ZINC000662723393 419700564 /nfs/dbraw/zinc/70/05/64/419700564.db2.gz XRQGWLWQYXSUIA-UHFFFAOYSA-N 2 0 259.269 -0.460 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000662719496 419701145 /nfs/dbraw/zinc/70/11/45/419701145.db2.gz DFYIUVHJIPFPES-XQQFMLRXSA-N 2 0 267.373 -0.049 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000662734548 419706960 /nfs/dbraw/zinc/70/69/60/419706960.db2.gz RBAQGJRMAPZERX-MGPQQGTHSA-N 2 0 296.415 -0.754 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662729107 419707536 /nfs/dbraw/zinc/70/75/36/419707536.db2.gz JUQNAHFMEDEMJI-LLVKDONJSA-N 2 0 255.362 -0.585 20 0 CBADRP CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCOCC[NH3+])C1 ZINC000647997500 419708123 /nfs/dbraw/zinc/70/81/23/419708123.db2.gz JDVPZYAXHZHPAN-SNVBAGLBSA-N 2 0 283.294 -0.038 20 0 CBADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000647997604 419708413 /nfs/dbraw/zinc/70/84/13/419708413.db2.gz RVIUUYWENCAGEV-VXGBXAGGSA-N 2 0 255.362 -0.347 20 0 CBADRP CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCOCC[NH3+])C1 ZINC000647997499 419709243 /nfs/dbraw/zinc/70/92/43/419709243.db2.gz JDVPZYAXHZHPAN-JTQLQIEISA-N 2 0 283.294 -0.038 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000662754320 419709856 /nfs/dbraw/zinc/70/98/56/419709856.db2.gz KVPWKAWIAACKPV-GFCCVEGCSA-N 2 0 256.394 -0.262 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662758098 419709920 /nfs/dbraw/zinc/70/99/20/419709920.db2.gz RLZOGIIHHFMRCT-GHMZBOCLSA-N 2 0 280.376 -0.083 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662755214 419710127 /nfs/dbraw/zinc/71/01/27/419710127.db2.gz XOEINOSOHHIBCM-VIFPVBQESA-N 2 0 267.333 -0.370 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662759230 419710549 /nfs/dbraw/zinc/71/05/49/419710549.db2.gz UPVOLVWODPVTLS-IJLUTSLNSA-N 2 0 254.378 -0.524 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000662765409 419712995 /nfs/dbraw/zinc/71/29/95/419712995.db2.gz GBDXSBYBHTYCEM-NWBUJAPZSA-N 2 0 267.373 -0.064 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662555982 419642024 /nfs/dbraw/zinc/64/20/24/419642024.db2.gz ZFOCFNRVUCCHPO-CMPLNLGQSA-N 2 0 292.387 -0.070 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000662563490 419644407 /nfs/dbraw/zinc/64/44/07/419644407.db2.gz UVQKBTNXJDZBSP-IUCAKERBSA-N 2 0 252.322 -0.893 20 0 CBADRP C[C@]1(CNC(=O)[C@H]2CCO[C@H]2C[NH3+])CCC[NH2+]C1 ZINC000662765353 419713637 /nfs/dbraw/zinc/71/36/37/419713637.db2.gz SIDFGHBDSCAHEC-GVXVVHGQSA-N 2 0 255.362 -0.144 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647769870 419650582 /nfs/dbraw/zinc/65/05/82/419650582.db2.gz NGIYGUFBKFECLG-RYUDHWBXSA-N 2 0 256.394 -0.277 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000662604565 419651960 /nfs/dbraw/zinc/65/19/60/419651960.db2.gz GXNQZSTTXYYJNL-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)CCN1CC[NH2+]CC1)[C@@H](C)[NH3+] ZINC000647779205 419653394 /nfs/dbraw/zinc/65/33/94/419653394.db2.gz VRIOUSHUJFTNMN-CHWSQXEVSA-N 2 0 270.421 -0.031 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647777307 419654326 /nfs/dbraw/zinc/65/43/26/419654326.db2.gz KBJRXQHFOANZPD-NWDGAFQWSA-N 2 0 254.378 -0.652 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)CCN2CC[NH2+]CC2)C1 ZINC000647779189 419654828 /nfs/dbraw/zinc/65/48/28/419654828.db2.gz VDTLFRTZJNHEOQ-CHWSQXEVSA-N 2 0 268.405 -0.262 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)CCN1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000647779207 419655077 /nfs/dbraw/zinc/65/50/77/419655077.db2.gz VRIOUSHUJFTNMN-QWHCGFSZSA-N 2 0 270.421 -0.031 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000647777732 419655222 /nfs/dbraw/zinc/65/52/22/419655222.db2.gz ZMJIFHMHAXEUGG-CYBMUJFWSA-N 2 0 268.405 -0.260 20 0 CBADRP C[NH+](C)C[C@H]1CCCCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000404904765 544588581 /nfs/dbraw/zinc/58/85/81/544588581.db2.gz FHTGAPGCFSFNNI-LLVKDONJSA-N 2 0 280.376 -0.207 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)CCN2CC[NH2+]CC2)CC[N@@H+]1C ZINC000647778900 419655747 /nfs/dbraw/zinc/65/57/47/419655747.db2.gz DKVGNUUIXWOAEJ-CHWSQXEVSA-N 2 0 268.405 -0.310 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000662633226 419657752 /nfs/dbraw/zinc/65/77/52/419657752.db2.gz YABKFYNIEJLBMI-ZDUSSCGKSA-N 2 0 270.421 -0.014 20 0 CBADRP C[C@@H](CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2)[NH+](C)C ZINC000662633493 419658404 /nfs/dbraw/zinc/65/84/04/419658404.db2.gz LIUFYGLHYULYJB-GVXVVHGQSA-N 2 0 255.362 -0.321 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000662634415 419659886 /nfs/dbraw/zinc/65/98/86/419659886.db2.gz RTTJMITUCXNFAN-AWEZNQCLSA-N 2 0 270.421 -0.014 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000662632672 419660041 /nfs/dbraw/zinc/66/00/41/419660041.db2.gz SPCUDDMFWNXCJW-CYBMUJFWSA-N 2 0 286.420 -0.635 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648106184 419729772 /nfs/dbraw/zinc/72/97/72/419729772.db2.gz JUWXSDJOOAGIJX-VIFPVBQESA-N 2 0 265.304 -0.417 20 0 CBADRP [NH3+]CCOCC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000648107128 419730944 /nfs/dbraw/zinc/73/09/44/419730944.db2.gz ZRCOTZXOGRQEHA-SNVBAGLBSA-N 2 0 264.329 -0.189 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CCO1 ZINC000648110750 419736669 /nfs/dbraw/zinc/73/66/69/419736669.db2.gz MDQJCWRQBQAISD-RKDXNWHRSA-N 2 0 263.288 -0.583 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C2(O)C[NH2+]C2)C[C@H]1c1ccccc1F ZINC000662816769 419737511 /nfs/dbraw/zinc/73/75/11/419737511.db2.gz PBXNNNJVKOXSOH-CMPLNLGQSA-N 2 0 279.315 -0.587 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])C[C@@H]1C[NH3+] ZINC000662813227 419737657 /nfs/dbraw/zinc/73/76/57/419737657.db2.gz IHQRPIZCZKYWNC-KXNHARMFSA-N 2 0 255.362 -0.207 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000662829329 419739631 /nfs/dbraw/zinc/73/96/31/419739631.db2.gz RLAIWIVHSCJVNX-OPDFLTKYSA-N 2 0 267.373 -0.062 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000648123010 419739985 /nfs/dbraw/zinc/73/99/85/419739985.db2.gz GYQZFRDYOFAVAS-WZRBSPASSA-N 2 0 282.388 -0.704 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@H]2CCO[C@H]2C[NH3+])C[C@H]1C[NH3+] ZINC000662830853 419742036 /nfs/dbraw/zinc/74/20/36/419742036.db2.gz WTHJWUAOZYYJIE-NOOOWODRSA-N 2 0 271.361 -0.828 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CCC[NH2+]1 ZINC000648124185 419743381 /nfs/dbraw/zinc/74/33/81/419743381.db2.gz TWRHTFXPPNTOKP-BZPMIXESSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)nn1 ZINC000662835725 419743870 /nfs/dbraw/zinc/74/38/70/419743870.db2.gz RVPGGLGRVAQFRF-AAEUAGOBSA-N 2 0 292.387 -0.017 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)nn1 ZINC000662835727 419744087 /nfs/dbraw/zinc/74/40/87/419744087.db2.gz RVPGGLGRVAQFRF-WCQYABFASA-N 2 0 292.387 -0.017 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662836964 419745267 /nfs/dbraw/zinc/74/52/67/419745267.db2.gz FCEVSDWCVBNOSB-QWRGUYRKSA-N 2 0 268.361 -0.806 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662836962 419745942 /nfs/dbraw/zinc/74/59/42/419745942.db2.gz FCEVSDWCVBNOSB-GHMZBOCLSA-N 2 0 268.361 -0.806 20 0 CBADRP COC[C@@]1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCC[NH2+]1 ZINC000648136444 419749686 /nfs/dbraw/zinc/74/96/86/419749686.db2.gz HHACXQOAAJHOOV-DCQANWLSSA-N 2 0 253.346 -0.378 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000648138979 419751295 /nfs/dbraw/zinc/75/12/95/419751295.db2.gz NYIFYQYYCIKLDP-IRCOFANPSA-N 2 0 253.346 -0.569 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000648140123 419753129 /nfs/dbraw/zinc/75/31/29/419753129.db2.gz DWHBHLUFXWNTKV-JQWIXIFHSA-N 2 0 282.388 -0.656 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662857783 419753612 /nfs/dbraw/zinc/75/36/12/419753612.db2.gz PFVQAPZRGKPKMY-HAQNSBGRSA-N 2 0 256.394 -0.277 20 0 CBADRP CN(C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C1(C[NH3+])CCC1 ZINC000648147207 419754771 /nfs/dbraw/zinc/75/47/71/419754771.db2.gz CCMIBIZRAGHLEE-NSHDSACASA-N 2 0 292.387 -0.017 20 0 CBADRP CC1(OCC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C[NH2+]C1 ZINC000648147525 419755277 /nfs/dbraw/zinc/75/52/77/419755277.db2.gz NGZRPFJGEPXALS-GFCCVEGCSA-N 2 0 297.399 -0.421 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000648148178 419755599 /nfs/dbraw/zinc/75/55/99/419755599.db2.gz PBBPHZBMDQSLSE-DZGCQCFKSA-N 2 0 276.384 -0.120 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000431010485 544592842 /nfs/dbraw/zinc/59/28/42/544592842.db2.gz PMSZMLZMIHKWGX-OLZOCXBDSA-N 2 0 268.405 -0.133 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCC[C@H]2[NH3+])C1 ZINC000430887916 544593016 /nfs/dbraw/zinc/59/30/16/544593016.db2.gz XULYSNWNEMFWLG-FRRDWIJNSA-N 2 0 296.415 -0.183 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)CCC[NH3+] ZINC000662941970 419787060 /nfs/dbraw/zinc/78/70/60/419787060.db2.gz GHUQEEMASDPRLN-OLZOCXBDSA-N 2 0 296.415 -0.121 20 0 CBADRP CC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000662872848 419760752 /nfs/dbraw/zinc/76/07/52/419760752.db2.gz DNFGIENCKPFLQJ-JTQLQIEISA-N 2 0 258.366 -0.798 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662874829 419760931 /nfs/dbraw/zinc/76/09/31/419760931.db2.gz ANOZVLSCCJYGBA-UHFFFAOYSA-N 2 0 266.389 -0.426 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662942068 419787088 /nfs/dbraw/zinc/78/70/88/419787088.db2.gz CVFUCBVZSNNYHJ-UHFFFAOYSA-N 2 0 284.404 -0.265 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000648169056 419764106 /nfs/dbraw/zinc/76/41/06/419764106.db2.gz QJSOAGJJHMUEAY-OBJOEFQTSA-N 2 0 296.415 -0.362 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000662906368 419765369 /nfs/dbraw/zinc/76/53/69/419765369.db2.gz IYBLOSGWAOPJHW-NEPJUHHUSA-N 2 0 254.378 -0.510 20 0 CBADRP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648177272 419765556 /nfs/dbraw/zinc/76/55/56/419765556.db2.gz QJLHMXLAQFGWBK-QSCRHYGLSA-N 2 0 292.427 -0.216 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000662906543 419765754 /nfs/dbraw/zinc/76/57/54/419765754.db2.gz NNAODNZCZZCMQN-NEPJUHHUSA-N 2 0 266.389 -0.510 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000662908386 419766999 /nfs/dbraw/zinc/76/69/99/419766999.db2.gz UEXAMQDSUOOARM-SRVKXCTJSA-N 2 0 252.362 -0.770 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000648190143 419769305 /nfs/dbraw/zinc/76/93/05/419769305.db2.gz BUNDIYUBPFUUSE-AXFHLTTASA-N 2 0 270.377 -0.513 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CCCO1 ZINC000648177562 419770639 /nfs/dbraw/zinc/77/06/39/419770639.db2.gz HNIIKUBYDJIUAY-NXEZZACHSA-N 2 0 277.315 -0.193 20 0 CBADRP C[C@@H]1CN(C(=O)COC2(C)C[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000648177313 419771267 /nfs/dbraw/zinc/77/12/67/419771267.db2.gz SDPYLSXATUMMDL-ZYHUDNBSSA-N 2 0 255.362 -0.192 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648185676 419771634 /nfs/dbraw/zinc/77/16/34/419771634.db2.gz BKQWPQWLVSDELL-AAEUAGOBSA-N 2 0 296.415 -0.123 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662939238 419787430 /nfs/dbraw/zinc/78/74/30/419787430.db2.gz MTHLUXQBVPGTLO-UHFFFAOYSA-N 2 0 272.393 -0.406 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C12CCCC2)[C@@H]1C[NH2+]CCO1 ZINC000648205558 419773498 /nfs/dbraw/zinc/77/34/98/419773498.db2.gz IYIQTYNUSBVEQH-QWRGUYRKSA-N 2 0 253.346 -0.234 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000662939270 419787543 /nfs/dbraw/zinc/78/75/43/419787543.db2.gz NJXDQZUWPKDKOV-OLZOCXBDSA-N 2 0 296.415 -0.264 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662925035 419778445 /nfs/dbraw/zinc/77/84/45/419778445.db2.gz JCSVDDYMXCBAFZ-GFCCVEGCSA-N 2 0 298.431 -0.018 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000662924254 419779423 /nfs/dbraw/zinc/77/94/23/419779423.db2.gz UFAHRTFXHIGEHT-LBPRGKRZSA-N 2 0 284.404 -0.264 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000662927561 419779618 /nfs/dbraw/zinc/77/96/18/419779618.db2.gz AEIBLTPJZDXPLP-NSHDSACASA-N 2 0 270.377 -0.654 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662929407 419780470 /nfs/dbraw/zinc/78/04/70/419780470.db2.gz FVXFXKBHMKNIRJ-UHFFFAOYSA-N 2 0 284.404 -0.264 20 0 CBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCC[NH3+])[C@@H](C)C1 ZINC000662937014 419784472 /nfs/dbraw/zinc/78/44/72/419784472.db2.gz DPSCKWQXICWPMY-QWHCGFSZSA-N 2 0 298.431 -0.018 20 0 CBADRP [NH3+]C1(CC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000662777985 419719136 /nfs/dbraw/zinc/71/91/36/419719136.db2.gz KHOFFDVYSIVYET-NSHDSACASA-N 2 0 252.362 -0.626 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000662778613 419719740 /nfs/dbraw/zinc/71/97/40/419719740.db2.gz GQGBNHXOZOEDLW-QWHCGFSZSA-N 2 0 280.416 -0.119 20 0 CBADRP O=C(N1CCC([C@@H]2CC[NH2+]C2)CC1)C1(O)C[NH2+]C1 ZINC000662779859 419719905 /nfs/dbraw/zinc/71/99/05/419719905.db2.gz MXMZMUQLHICMCE-LLVKDONJSA-N 2 0 253.346 -0.831 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662777926 419721340 /nfs/dbraw/zinc/72/13/40/419721340.db2.gz IZPKZCAEHRKDNX-SGMGOOAPSA-N 2 0 267.373 -0.048 20 0 CBADRP CC(C)([NH3+])c1cc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)on1 ZINC000662777769 419721480 /nfs/dbraw/zinc/72/14/80/419721480.db2.gz CVFRDRTUXQZGCV-MTBHXBHISA-N 2 0 250.302 -0.184 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000662942662 419787794 /nfs/dbraw/zinc/78/77/94/419787794.db2.gz YVJLCZYFCZIRET-LBPRGKRZSA-N 2 0 298.431 -0.018 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H]2CC[NH2+]2)CCO1 ZINC000662972796 419800749 /nfs/dbraw/zinc/80/07/49/419800749.db2.gz MGEMXBLUALHRME-VXGBXAGGSA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC2(O)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000648803768 419807462 /nfs/dbraw/zinc/80/74/62/419807462.db2.gz GNYNATKSHDOYKL-VXGBXAGGSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000663010522 419809036 /nfs/dbraw/zinc/80/90/36/419809036.db2.gz KAZFOHVPWXFZGY-CYBMUJFWSA-N 2 0 254.378 -0.508 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)CC[N@@H+]1C ZINC000648838597 419809731 /nfs/dbraw/zinc/80/97/31/419809731.db2.gz PMHKKQFDAVOKMI-WZRBSPASSA-N 2 0 257.378 -0.245 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000518471631 544601514 /nfs/dbraw/zinc/60/15/14/544601514.db2.gz XBYLKIMXNUIVQO-KGLIPLIRSA-N 2 0 273.421 -0.191 20 0 CBADRP C[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1)[NH+](C)C ZINC000648903258 419821669 /nfs/dbraw/zinc/82/16/69/419821669.db2.gz MIUHYGGHZAQZTL-WCQYABFASA-N 2 0 296.415 -0.252 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH2+]CC2(C)C)CC1=O ZINC000649273748 419858878 /nfs/dbraw/zinc/85/88/78/419858878.db2.gz BQQHLQJDGMXDCA-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000649070054 419832826 /nfs/dbraw/zinc/83/28/26/419832826.db2.gz GPUJFHJMYRWWRE-NEPJUHHUSA-N 2 0 282.388 -0.484 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCOC2(C)C)CC1 ZINC000663369604 419833810 /nfs/dbraw/zinc/83/38/10/419833810.db2.gz CMIXCDTXBSOKJK-ZIAGYGMSSA-N 2 0 285.432 -0.001 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000649075644 419835915 /nfs/dbraw/zinc/83/59/15/419835915.db2.gz IBCDQBQTMBEBJP-LBPRGKRZSA-N 2 0 284.404 -0.093 20 0 CBADRP [NH3+]C[C@@H](C(=O)N1CCOC2(C[NH2+]C2)C1)c1ccccc1 ZINC000663491545 419842163 /nfs/dbraw/zinc/84/21/63/419842163.db2.gz IOARXBDOQRIMAS-CYBMUJFWSA-N 2 0 275.352 -0.070 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000649274630 419856406 /nfs/dbraw/zinc/85/64/06/419856406.db2.gz SGSYVVRVMKZRNV-ZIAGYGMSSA-N 2 0 298.431 -0.411 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000662943882 419788012 /nfs/dbraw/zinc/78/80/12/419788012.db2.gz CZQKURWPAZNVQD-NEPJUHHUSA-N 2 0 282.388 -0.654 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C2([NH2+]C3CC3)CCC2)n1 ZINC000662947919 419789782 /nfs/dbraw/zinc/78/97/82/419789782.db2.gz ZXGGYYDZVRLANX-UHFFFAOYSA-N 2 0 291.355 -0.068 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]cn2)C[C@H](C)[NH2+]1 ZINC000662953755 419791849 /nfs/dbraw/zinc/79/18/49/419791849.db2.gz PNJGPOLBYQSCPQ-UWVGGRQHSA-N 2 0 279.344 -0.423 20 0 CBADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C1(O)C[NH2+]C1 ZINC000662972489 419798404 /nfs/dbraw/zinc/79/84/04/419798404.db2.gz PZHLSSAOOIBDRU-UHFFFAOYSA-N 2 0 267.373 -0.441 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)COC2(C)C[NH2+]C2)CCSC1 ZINC000649296498 419865814 /nfs/dbraw/zinc/86/58/14/419865814.db2.gz KUQJOMNHWVUTCL-ZDUSSCGKSA-N 2 0 287.429 -0.082 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC000649304789 419870701 /nfs/dbraw/zinc/87/07/01/419870701.db2.gz GOMNMQALCRLAAX-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@H](NC(=O)[C@]1(N)CC[N@H+](C)C1)C1CC[NH+](C)CC1 ZINC000649314748 419879433 /nfs/dbraw/zinc/87/94/33/419879433.db2.gz OBWSADNAKSPXLL-FZMZJTMJSA-N 2 0 268.405 -0.134 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000649321020 419882977 /nfs/dbraw/zinc/88/29/77/419882977.db2.gz IOCPPBHUEYQMCS-XQHKEYJVSA-N 2 0 267.373 -0.219 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000649321018 419883668 /nfs/dbraw/zinc/88/36/68/419883668.db2.gz IOCPPBHUEYQMCS-QNWHQSFQSA-N 2 0 267.373 -0.219 20 0 CBADRP CC1(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C[NH2+]C1 ZINC000649320957 419885095 /nfs/dbraw/zinc/88/50/95/419885095.db2.gz GSWQKPHTFAJUQI-RYUDHWBXSA-N 2 0 267.373 -0.347 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000649323582 419886940 /nfs/dbraw/zinc/88/69/40/419886940.db2.gz DZOFQZSIRUAQIR-MDZLAQPJSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000649335674 419893840 /nfs/dbraw/zinc/89/38/40/419893840.db2.gz RBAQGJRMAPZERX-MJBXVCDLSA-N 2 0 296.415 -0.754 20 0 CBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)CC1 ZINC000649334115 419894242 /nfs/dbraw/zinc/89/42/42/419894242.db2.gz KXOKPDMZWHAFNB-SPWCGHHHSA-N 2 0 292.427 -0.264 20 0 CBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+](C2CCOCC2)CC1 ZINC000649339497 419894273 /nfs/dbraw/zinc/89/42/73/419894273.db2.gz CPHSQEQWUFUXSL-WDNDVIMCSA-N 2 0 279.384 -0.225 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC2(C)C[NH2+]C2)C1 ZINC000649280966 419860410 /nfs/dbraw/zinc/86/04/10/419860410.db2.gz YSNCYNPBKVWOMO-ZDUSSCGKSA-N 2 0 299.415 -0.162 20 0 CBADRP O=C(N1CC[NH+](C[C@H]2CCOC2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000649345129 419899656 /nfs/dbraw/zinc/89/96/56/419899656.db2.gz MBURTZLBURJNID-NFAWXSAZSA-N 2 0 279.384 -0.081 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649350470 419900421 /nfs/dbraw/zinc/90/04/21/419900421.db2.gz FOWOQZAHXRYUCQ-ZDUSSCGKSA-N 2 0 298.431 -0.493 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649350590 419900856 /nfs/dbraw/zinc/90/08/56/419900856.db2.gz RBLGWEOAYWCRBU-UHFFFAOYSA-N 2 0 298.431 -0.491 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000649350215 419901268 /nfs/dbraw/zinc/90/12/68/419901268.db2.gz QEFUVDOFIIBGPL-NSHDSACASA-N 2 0 254.378 -0.652 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000649349368 419901406 /nfs/dbraw/zinc/90/14/06/419901406.db2.gz DBRUUPBTMBNVQT-LBPRGKRZSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649352095 419904688 /nfs/dbraw/zinc/90/46/88/419904688.db2.gz QJSWBDJYIMOTQG-LPWJVIDDSA-N 2 0 266.389 -0.511 20 0 CBADRP C[C@@H](C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[NH+](C)C ZINC000649359924 419904822 /nfs/dbraw/zinc/90/48/22/419904822.db2.gz MFLVAYNGTKHNNY-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[NH+](C)C ZINC000649361762 419905368 /nfs/dbraw/zinc/90/53/68/419905368.db2.gz VKGFCEYUOVTQTO-RYUDHWBXSA-N 2 0 254.378 -0.557 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN(C)[C@H]2CC[NH2+]C2)CC1 ZINC000649409819 419910325 /nfs/dbraw/zinc/91/03/25/419910325.db2.gz NNDNFQVENGCLOR-ZDUSSCGKSA-N 2 0 268.405 -0.119 20 0 CBADRP CC[NH+](CC)CCNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358691421 419912362 /nfs/dbraw/zinc/91/23/62/419912362.db2.gz YTFZSQIKGIRNGK-CYBMUJFWSA-N 2 0 272.393 -0.306 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000664728015 419913327 /nfs/dbraw/zinc/91/33/27/419913327.db2.gz VYRIRAFRBCSSJQ-UHFFFAOYSA-N 2 0 276.340 -0.038 20 0 CBADRP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCOC2(C[NH2+]C2)C1 ZINC000664724122 419914870 /nfs/dbraw/zinc/91/48/70/419914870.db2.gz CCXSSYHCAXWEHY-CQSZACIVSA-N 2 0 287.363 -0.098 20 0 CBADRP CC(C)(C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])N1CC[NH2+]CC1 ZINC000669511502 544750418 /nfs/dbraw/zinc/75/04/18/544750418.db2.gz PQVZROJRGHNVJK-VXGBXAGGSA-N 2 0 268.405 -0.086 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000669491145 544750481 /nfs/dbraw/zinc/75/04/81/544750481.db2.gz NDNIAAZACBUSEU-STQMWFEESA-N 2 0 282.388 -0.242 20 0 CBADRP CC1(C)C[NH2+]CCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000669512386 544750658 /nfs/dbraw/zinc/75/06/58/544750658.db2.gz LQQLPWGNGSIQGD-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP CN1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])[C@H](C[NH3+])C1 ZINC000669512654 544751310 /nfs/dbraw/zinc/75/13/10/544751310.db2.gz WQGKARFDVLZHFQ-XQQFMLRXSA-N 2 0 268.405 -0.005 20 0 CBADRP CC(CN1CCOC[C@H](O)C1)C[N@@H+]1CCOC[C@H](O)C1 ZINC000664774349 419917527 /nfs/dbraw/zinc/91/75/27/419917527.db2.gz MYGMWHZFHZTZFP-ZIAGYGMSSA-N 2 0 288.388 -0.991 20 0 CBADRP CC[N@H+](CC(=O)NC[C@@H]1C[NH+]2CCN1CCC2)C1CC1 ZINC000670407931 544786526 /nfs/dbraw/zinc/78/65/26/544786526.db2.gz CTRYZHAHJBURCP-CQSZACIVSA-N 2 0 280.416 -0.023 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000670408358 544787168 /nfs/dbraw/zinc/78/71/68/544787168.db2.gz MYDANOGEUJVGFX-CYBMUJFWSA-N 2 0 268.405 -0.167 20 0 CBADRP O=C(CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCOCC1 ZINC000359274061 419953636 /nfs/dbraw/zinc/95/36/36/419953636.db2.gz AQETZVSJBGYKNT-TXEJJXNPSA-N 2 0 253.346 -0.614 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000359284238 419957464 /nfs/dbraw/zinc/95/74/64/419957464.db2.gz ZLYKDCDAKCBYSR-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP C[NH+](C)CCCNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650551523 419962860 /nfs/dbraw/zinc/96/28/60/419962860.db2.gz ZBCGKHJMHZWHJV-UHFFFAOYSA-N 2 0 299.419 -0.647 20 0 CBADRP C[C@@H]1C[C@@H](C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)CC[NH2+]1 ZINC000650710252 419967436 /nfs/dbraw/zinc/96/74/36/419967436.db2.gz JNIRMUMNBZSTIT-WOPDTQHZSA-N 2 0 275.418 -0.002 20 0 CBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000650876012 419970861 /nfs/dbraw/zinc/97/08/61/419970861.db2.gz NWOIDWVHWVGPMJ-SMDDNHRTSA-N 2 0 294.399 -0.317 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)N1CC[NH+](C)CC1 ZINC000360225921 420012025 /nfs/dbraw/zinc/01/20/25/420012025.db2.gz SZPRYMOXAXPWNT-QWHCGFSZSA-N 2 0 284.404 -0.931 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)NC[C@@H]2CC[N@H+](C)C2)n1 ZINC000361819609 420024364 /nfs/dbraw/zinc/02/43/64/420024364.db2.gz PSWMTVJQMXKYLM-LBPRGKRZSA-N 2 0 294.403 0.518 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000364257560 420034795 /nfs/dbraw/zinc/03/47/95/420034795.db2.gz RVHFQEJDCPLEAC-LBPRGKRZSA-N 2 0 296.415 -0.025 20 0 CBADRP CC(C)([NH3+])C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000364510700 420042039 /nfs/dbraw/zinc/04/20/39/420042039.db2.gz XNEBFHJVTAZQLQ-SNVBAGLBSA-N 2 0 268.361 -0.854 20 0 CBADRP COCC[C@]1(C(=O)N2CC[NH2+][C@@H](C)C2)CC[NH2+]C1 ZINC000364872027 420048465 /nfs/dbraw/zinc/04/84/65/420048465.db2.gz LMGLKBGULRZTBQ-WCQYABFASA-N 2 0 255.362 -0.177 20 0 CBADRP COCC[C@@]1(C(=O)N2CC[NH2+][C@H](C)C2)CC[NH2+]C1 ZINC000364872029 420048922 /nfs/dbraw/zinc/04/89/22/420048922.db2.gz LMGLKBGULRZTBQ-YPMHNXCESA-N 2 0 255.362 -0.177 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCC1CC[NH2+]CC1 ZINC000652150405 420049596 /nfs/dbraw/zinc/04/95/96/420049596.db2.gz VKWXWSHUDXIJLU-CQSZACIVSA-N 2 0 297.447 -0.079 20 0 CBADRP CCO[C@@H]1CN(C(=O)N[C@@H](C)C[NH+](C)C)C[C@H]1C[NH3+] ZINC000652191866 420049729 /nfs/dbraw/zinc/04/97/29/420049729.db2.gz HOSNULGXRSNLAQ-QJPTWQEYSA-N 2 0 272.393 -0.058 20 0 CBADRP CCO[C@@H]1CN(C(=O)NC[C@H](C)[NH+](C)C)C[C@H]1C[NH3+] ZINC000652197686 420050129 /nfs/dbraw/zinc/05/01/29/420050129.db2.gz INDVZWQHIBMPIU-QJPTWQEYSA-N 2 0 272.393 -0.058 20 0 CBADRP COCC[NH2+]CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652211527 420051082 /nfs/dbraw/zinc/05/10/82/420051082.db2.gz BBUQPNCPJXQCAH-UHFFFAOYSA-N 2 0 258.366 -0.349 20 0 CBADRP CCO[C@@H]1CN(C(=O)NCC[NH2+]CCOC)C[C@H]1C[NH3+] ZINC000652211622 420051393 /nfs/dbraw/zinc/05/13/93/420051393.db2.gz GAERITVGPZSXSD-VXGBXAGGSA-N 2 0 288.392 -0.772 20 0 CBADRP CCO[C@@H]1CN(C(=O)NCC2C[NH2+]C2)C[C@H]1C[NH3+] ZINC000652211156 420051621 /nfs/dbraw/zinc/05/16/21/420051621.db2.gz XWJZZZLRXABHRN-GHMZBOCLSA-N 2 0 256.350 -0.789 20 0 CBADRP CCO[C@@H]1CN(C(=O)NC[C@@H]([NH3+])CC)C[C@H]1C[NH3+] ZINC000652222428 420052742 /nfs/dbraw/zinc/05/27/42/420052742.db2.gz OJJFYNFIFKXMQM-OUAUKWLOSA-N 2 0 258.366 -0.271 20 0 CBADRP [NH3+]CC1(CCNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000652232125 420054548 /nfs/dbraw/zinc/05/45/48/420054548.db2.gz QUECUOHDXYKJEN-PHIMTYICSA-N 2 0 252.362 -0.024 20 0 CBADRP [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)[C@H]1C[NH2+]CCO1)C2 ZINC000365106538 420054902 /nfs/dbraw/zinc/05/49/02/420054902.db2.gz VKTIICYFAOUGOL-WZRBSPASSA-N 2 0 253.346 -0.295 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(OCCCO)CC1 ZINC000652338224 420056779 /nfs/dbraw/zinc/05/67/79/420056779.db2.gz LJCHOYJXDGPULH-CYBMUJFWSA-N 2 0 260.378 -0.180 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652318155 420057604 /nfs/dbraw/zinc/05/76/04/420057604.db2.gz OKZPIRPUPDRMGF-CQSZACIVSA-N 2 0 284.404 -0.258 20 0 CBADRP O=C(CC[N@@H+]1CCOC2(CCOCC2)C1)N1CC[NH2+]CC1 ZINC000652343704 420059683 /nfs/dbraw/zinc/05/96/83/420059683.db2.gz IBKCPIDVFUFVJK-UHFFFAOYSA-N 2 0 297.399 -0.310 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000367469697 420106968 /nfs/dbraw/zinc/10/69/68/420106968.db2.gz KCMDTYNARAETQL-ZZVYKPCYSA-N 2 0 291.399 -0.163 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653048476 420109817 /nfs/dbraw/zinc/10/98/17/420109817.db2.gz CQHMXWGJSCNTMT-AAEUAGOBSA-N 2 0 255.362 -0.273 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653049529 420109967 /nfs/dbraw/zinc/10/99/67/420109967.db2.gz QJBNGHWYUFSKRW-GVXVVHGQSA-N 2 0 253.346 -0.662 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H](N)CC[NH+](C)C ZINC000653044984 420110264 /nfs/dbraw/zinc/11/02/64/420110264.db2.gz MUHLKNNIGKYDOF-SRVKXCTJSA-N 2 0 256.394 -0.006 20 0 CBADRP C[C@@H]1CCCN(C(=O)[C@H](N)CC[NH+](C)C)[C@H]1C[NH3+] ZINC000653052047 420111403 /nfs/dbraw/zinc/11/14/03/420111403.db2.gz SIBVMUMAZSKSLA-UTUOFQBUSA-N 2 0 256.394 -0.149 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000653056056 420111796 /nfs/dbraw/zinc/11/17/96/420111796.db2.gz SGLVERMIRZWOIE-TUAOUCFPSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(C)C(=O)N1CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC000653068385 420113048 /nfs/dbraw/zinc/11/30/48/420113048.db2.gz AKRLXMPQQRYHJS-NSHDSACASA-N 2 0 285.392 -0.909 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NCC(=O)NC1CCCCC1 ZINC000653081711 420113062 /nfs/dbraw/zinc/11/30/62/420113062.db2.gz YGXDYFPDTAKSLZ-LBPRGKRZSA-N 2 0 284.404 -0.170 20 0 CBADRP CCCCN(CC(N)=O)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653072702 420113516 /nfs/dbraw/zinc/11/35/16/420113516.db2.gz BVJWZZSXMDPHLK-JTQLQIEISA-N 2 0 258.366 -0.621 20 0 CBADRP O=C(NCC[N@H+]1CC=CCC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653348419 420142376 /nfs/dbraw/zinc/14/23/76/420142376.db2.gz GSCFPROCVKFIPS-JSGCOSHPSA-N 2 0 265.357 -0.400 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@@H](O)COc1ccccc1 ZINC000653073240 420113689 /nfs/dbraw/zinc/11/36/89/420113689.db2.gz WPZDRBANZHOUHI-TZMCWYRMSA-N 2 0 295.383 -0.179 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N(CC(N)=O)C1CCCC1 ZINC000653067141 420113860 /nfs/dbraw/zinc/11/38/60/420113860.db2.gz QQMUZIOCWPNNBW-NSHDSACASA-N 2 0 270.377 -0.478 20 0 CBADRP O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000367832910 420115790 /nfs/dbraw/zinc/11/57/90/420115790.db2.gz RUBRBEWNCBJCFC-HUUCEWRRSA-N 2 0 289.379 -0.043 20 0 CBADRP O=C(NCC[NH+]1CCCC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653106186 420115852 /nfs/dbraw/zinc/11/58/52/420115852.db2.gz WQVQHKXYXPGQCG-AAEUAGOBSA-N 2 0 253.346 -0.566 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000653110689 420116985 /nfs/dbraw/zinc/11/69/85/420116985.db2.gz QUAMFLWHUGLTBN-AAEUAGOBSA-N 2 0 288.461 -0.181 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000653117593 420118255 /nfs/dbraw/zinc/11/82/55/420118255.db2.gz QQONURVWMAOMOI-GFCCVEGCSA-N 2 0 288.355 -0.093 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H](N)CC[NH+](C)C ZINC000653124017 420118692 /nfs/dbraw/zinc/11/86/92/420118692.db2.gz OEZWCFQYPYOEGY-RTXFEEFZSA-N 2 0 268.405 -0.136 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)[C@H](N)CC[NH+](C)C)C1 ZINC000653121982 420119033 /nfs/dbraw/zinc/11/90/33/420119033.db2.gz HYTOAUBXCLZZLJ-NWDGAFQWSA-N 2 0 256.394 -0.277 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H](N)CC[NH+](C)C)C1CC1 ZINC000653115054 420119262 /nfs/dbraw/zinc/11/92/62/420119262.db2.gz AWXXCSCTNUPBMG-LBPRGKRZSA-N 2 0 256.394 -0.134 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000653115201 420119950 /nfs/dbraw/zinc/11/99/50/420119950.db2.gz GNVFCOTVUKYMLQ-STQMWFEESA-N 2 0 268.405 -0.038 20 0 CBADRP C[C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)[N@H+](C)C1CC1 ZINC000653116411 420120059 /nfs/dbraw/zinc/12/00/59/420120059.db2.gz GEMYUYRSGYQNOZ-MJVIPROJSA-N 2 0 267.373 -0.179 20 0 CBADRP C[C@H](CNC(=O)[C@H](N)CC[NH+](C)C)[N@H+](C)C1CC1 ZINC000653116709 420120261 /nfs/dbraw/zinc/12/02/61/420120261.db2.gz PLPJSUFOPJTFJB-ZYHUDNBSSA-N 2 0 256.394 -0.136 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000653116454 420120358 /nfs/dbraw/zinc/12/03/58/420120358.db2.gz HNYAPGYJOXHOSJ-IHRRRGAJSA-N 2 0 298.431 -0.677 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000653116453 420121007 /nfs/dbraw/zinc/12/10/07/420121007.db2.gz HNYAPGYJOXHOSJ-BFHYXJOUSA-N 2 0 298.431 -0.677 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[C@@H]1[NH3+] ZINC000653134834 420121992 /nfs/dbraw/zinc/12/19/92/420121992.db2.gz KMIYZXWSZMZZDQ-UHXUPSOCSA-N 2 0 267.373 -0.192 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653137642 420122018 /nfs/dbraw/zinc/12/20/18/420122018.db2.gz KBIDSSKIASATNS-UHTWSYAYSA-N 2 0 253.346 -0.580 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[NH2+]1 ZINC000653136374 420122162 /nfs/dbraw/zinc/12/21/62/420122162.db2.gz NVWYWFZKYUOUNT-BLFANLJRSA-N 2 0 253.346 -0.521 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000653140363 420122173 /nfs/dbraw/zinc/12/21/73/420122173.db2.gz ZWIMJXCSALBDOB-VXGBXAGGSA-N 2 0 256.394 -0.005 20 0 CBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653142322 420122239 /nfs/dbraw/zinc/12/22/39/420122239.db2.gz HIRCEGICWARJGR-MJVIPROJSA-N 2 0 265.357 -0.519 20 0 CBADRP O=C(N1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653143908 420122777 /nfs/dbraw/zinc/12/27/77/420122777.db2.gz MDGIIYWKDIFLSR-XFMPKHEZSA-N 2 0 279.384 -0.320 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000653147195 420123344 /nfs/dbraw/zinc/12/33/44/420123344.db2.gz SVDIRYAUFWXBFH-NEPJUHHUSA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000653162244 420124285 /nfs/dbraw/zinc/12/42/85/420124285.db2.gz UHNAFLLBANUGMC-RYUDHWBXSA-N 2 0 256.394 -0.101 20 0 CBADRP [NH3+]CC1(CCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000653221267 420127619 /nfs/dbraw/zinc/12/76/19/420127619.db2.gz PHXULCWMTAVILA-NSHDSACASA-N 2 0 292.387 -0.111 20 0 CBADRP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]([NH3+])COC ZINC000653214418 420127835 /nfs/dbraw/zinc/12/78/35/420127835.db2.gz UNMLFORZRQJWDV-LBPRGKRZSA-N 2 0 251.330 -0.004 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)C[C@H]1C[NH3+] ZINC000653248165 420129356 /nfs/dbraw/zinc/12/93/56/420129356.db2.gz GHQRCCCYDCVLOF-UTUOFQBUSA-N 2 0 255.362 -0.064 20 0 CBADRP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000653247531 420129416 /nfs/dbraw/zinc/12/94/16/420129416.db2.gz GQGCGNBOZIBYHX-QJPTWQEYSA-N 2 0 255.362 -0.192 20 0 CBADRP C[C@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)[C@H]1CC[NH3+] ZINC000653240789 420129549 /nfs/dbraw/zinc/12/95/49/420129549.db2.gz SMKWBFNLSKZXTR-SDDRHHMPSA-N 2 0 255.362 -0.049 20 0 CBADRP CCO[C@@H]1CN(C(=O)c2c[nH+]ccc2N)C[C@H]1C[NH3+] ZINC000653247900 420130163 /nfs/dbraw/zinc/13/01/63/420130163.db2.gz XMTCRHLAUSVMFL-BXKDBHETSA-N 2 0 264.329 -0.070 20 0 CBADRP CCO[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)C[C@H]1C[NH3+] ZINC000653247845 420130199 /nfs/dbraw/zinc/13/01/99/420130199.db2.gz UXGNBMYATIDZBG-ZYHUDNBSSA-N 2 0 271.361 -0.813 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@]2(C)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000653244073 420130314 /nfs/dbraw/zinc/13/03/14/420130314.db2.gz WWMIPXYZBONAKX-WZRBSPASSA-N 2 0 255.362 -0.192 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368372606 420130355 /nfs/dbraw/zinc/13/03/55/420130355.db2.gz AEUBHBZUDAJNCN-GARJFASQSA-N 2 0 255.387 -0.098 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000368431107 420132408 /nfs/dbraw/zinc/13/24/08/420132408.db2.gz BTHMZXBSOPMGRE-SDDRHHMPSA-N 2 0 255.362 -0.443 20 0 CBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000368457175 420132913 /nfs/dbraw/zinc/13/29/13/420132913.db2.gz HETUEMNSBCZSOI-CQSZACIVSA-N 2 0 298.431 -0.541 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000653261265 420133133 /nfs/dbraw/zinc/13/31/33/420133133.db2.gz PPKLTNGJPSQUAO-XJFOESAGSA-N 2 0 297.399 -0.138 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCC1CC[NH2+]CC1 ZINC000653272488 420133143 /nfs/dbraw/zinc/13/31/43/420133143.db2.gz QGCMLXMWOROEQB-ZDUSSCGKSA-N 2 0 284.404 -0.408 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)NCCC1CC[NH2+]CC1 ZINC000653268671 420133658 /nfs/dbraw/zinc/13/36/58/420133658.db2.gz ZMBCHMYVXUIENR-LBPRGKRZSA-N 2 0 255.362 -0.129 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000653267441 420134569 /nfs/dbraw/zinc/13/45/69/420134569.db2.gz PPKLTNGJPSQUAO-RFGFWPKPSA-N 2 0 297.399 -0.138 20 0 CBADRP C[C@@H](CO)[NH2+][C@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000653285192 420137976 /nfs/dbraw/zinc/13/79/76/420137976.db2.gz HJWPPGXHZMXHOV-UWVGGRQHSA-N 2 0 257.334 -0.964 20 0 CBADRP C[C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)[NH+]1CCCC1 ZINC000653347941 420141026 /nfs/dbraw/zinc/14/10/26/420141026.db2.gz WBMCGZODVHJEPK-OBJOEFQTSA-N 2 0 267.373 -0.177 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000652693785 420071660 /nfs/dbraw/zinc/07/16/60/420071660.db2.gz DQVHHFOIHAKOFR-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCC[NH3+] ZINC000652693772 420071853 /nfs/dbraw/zinc/07/18/53/420071853.db2.gz DGBYTVMLUSZQRJ-UHFFFAOYSA-N 2 0 256.350 -0.994 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCCC[NH3+] ZINC000652694456 420072152 /nfs/dbraw/zinc/07/21/52/420072152.db2.gz XVTONHFTTZSLMV-UHFFFAOYSA-N 2 0 272.393 -0.455 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000652695136 420072233 /nfs/dbraw/zinc/07/22/33/420072233.db2.gz NZTKGSMZHOMMSK-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000652697728 420074400 /nfs/dbraw/zinc/07/44/00/420074400.db2.gz LXGFQTUKCCCGAD-UHFFFAOYSA-N 2 0 270.377 -0.832 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652725654 420077995 /nfs/dbraw/zinc/07/79/95/420077995.db2.gz PRDATGGTHYSTEZ-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000652731273 420078850 /nfs/dbraw/zinc/07/88/50/420078850.db2.gz GNPXRHPPIPUIMM-CYBMUJFWSA-N 2 0 296.415 -0.262 20 0 CBADRP C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000366347194 420083332 /nfs/dbraw/zinc/08/33/32/420083332.db2.gz NPTJKNQEXFDGID-IJLUTSLNSA-N 2 0 255.362 -0.049 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000366344225 420083573 /nfs/dbraw/zinc/08/35/73/420083573.db2.gz FIWVNCSLCGALKI-UONOGXRCSA-N 2 0 299.415 -0.161 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)n1 ZINC000375252758 420192257 /nfs/dbraw/zinc/19/22/57/420192257.db2.gz MGOXHRDZQIKFPH-RISCZKNCSA-N 2 0 277.372 0.383 20 0 CBADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377566838 420196932 /nfs/dbraw/zinc/19/69/32/420196932.db2.gz YEOVYIWODULRMC-VXGBXAGGSA-N 2 0 268.405 -0.134 20 0 CBADRP CN(C(=O)[C@@H]1C[NH2+]CCO1)[C@H]1C[NH+]2CCC1CC2 ZINC000386430838 420202810 /nfs/dbraw/zinc/20/28/10/420202810.db2.gz ANEHASLWTYAZDF-RYUDHWBXSA-N 2 0 253.346 -0.473 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000388501589 420204891 /nfs/dbraw/zinc/20/48/91/420204891.db2.gz HJSNPUOXEOKBIH-NWDGAFQWSA-N 2 0 291.417 -0.669 20 0 CBADRP [NH3+]CCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000394668990 420211458 /nfs/dbraw/zinc/21/14/58/420211458.db2.gz PAPJPNRHPHHQBL-NSHDSACASA-N 2 0 268.361 -0.852 20 0 CBADRP [NH2+]=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCOCC1 ZINC000369018279 420149798 /nfs/dbraw/zinc/14/97/98/420149798.db2.gz WXFRUCXNSUGBBS-NWDGAFQWSA-N 2 0 268.361 -0.294 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](C)[C@@H](C)[C@@H]1C ZINC000653596932 420151677 /nfs/dbraw/zinc/15/16/77/420151677.db2.gz UMVHSMDSJZPZEQ-IHRRRGAJSA-N 2 0 273.421 -0.050 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](C)[C@@H](C)[C@H]1C ZINC000653596934 420151945 /nfs/dbraw/zinc/15/19/45/420151945.db2.gz UMVHSMDSJZPZEQ-MJBXVCDLSA-N 2 0 273.421 -0.050 20 0 CBADRP CC(C)[NH2+]CCN1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000369134841 420153283 /nfs/dbraw/zinc/15/32/83/420153283.db2.gz QEEPQWMSRIVUFX-OAHLLOKOSA-N 2 0 284.448 -0.067 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](CCO)C(C)(C)C1 ZINC000653633288 420153506 /nfs/dbraw/zinc/15/35/06/420153506.db2.gz XZOYPWNORCPKBP-CYBMUJFWSA-N 2 0 273.421 -0.313 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000653694686 420158514 /nfs/dbraw/zinc/15/85/14/420158514.db2.gz NNWWWLNOGWDWPZ-IHRRRGAJSA-N 2 0 271.405 -0.439 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653778275 420162626 /nfs/dbraw/zinc/16/26/26/420162626.db2.gz PQHCHKLHKAHSLL-CYBMUJFWSA-N 2 0 286.420 -0.995 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000653829164 420167792 /nfs/dbraw/zinc/16/77/92/420167792.db2.gz BGVOXVNXFLKJJL-YNEHKIRRSA-N 2 0 257.378 -0.950 20 0 CBADRP C[C@H](CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)C1CC1 ZINC000654429036 420177237 /nfs/dbraw/zinc/17/72/37/420177237.db2.gz FYKGWWOZNCNVLP-KWCYVHTRSA-N 2 0 296.415 -0.071 20 0 CBADRP CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000401160110 420222328 /nfs/dbraw/zinc/22/23/28/420222328.db2.gz SLFXPEUOOOAEGP-LOWDOPEQSA-N 2 0 287.429 -0.002 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCC(=O)N1CCOCC1 ZINC000404765650 420226436 /nfs/dbraw/zinc/22/64/36/420226436.db2.gz MFDQHCQGQSGHMX-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000407259963 420227842 /nfs/dbraw/zinc/22/78/42/420227842.db2.gz IQYVAQVVCRBYLM-UONOGXRCSA-N 2 0 280.416 -0.119 20 0 CBADRP CCO[C@@H]1CN([C@@H](C)C(=O)NCCCOC)C[C@H]1C[NH3+] ZINC000405475891 420228246 /nfs/dbraw/zinc/22/82/46/420228246.db2.gz WCBOUJXGQRQUCP-YNEHKIRRSA-N 2 0 287.404 -0.177 20 0 CBADRP CC[C@H](C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)C ZINC000655296069 420237410 /nfs/dbraw/zinc/23/74/10/420237410.db2.gz FZVARZLWYYKWSK-QJPTWQEYSA-N 2 0 255.362 -0.396 20 0 CBADRP CC[NH2+]CCNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000418313863 420241618 /nfs/dbraw/zinc/24/16/18/420241618.db2.gz COHHVPBCTXMRJF-LBPRGKRZSA-N 2 0 272.393 -0.258 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419130646 420242656 /nfs/dbraw/zinc/24/26/56/420242656.db2.gz BIYFBZQATWFEOX-UTUOFQBUSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000418954728 420243667 /nfs/dbraw/zinc/24/36/67/420243667.db2.gz XMUKQJXRXVZFTR-VXGBXAGGSA-N 2 0 286.420 -0.195 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418952062 420243719 /nfs/dbraw/zinc/24/37/19/420243719.db2.gz UXZFEKKRLDFICQ-PWSUYJOCSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418936847 420243994 /nfs/dbraw/zinc/24/39/94/420243994.db2.gz KLGUYPVXWSPIMX-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000419018329 420244057 /nfs/dbraw/zinc/24/40/57/420244057.db2.gz BWAHTNZIJWFIKK-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)CCC[NH2+]C ZINC000418922146 420244085 /nfs/dbraw/zinc/24/40/85/420244085.db2.gz DMGNRJDFSZWWFH-LBPRGKRZSA-N 2 0 286.420 -0.099 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000419591551 420245567 /nfs/dbraw/zinc/24/55/67/420245567.db2.gz RHNVJQGHGIJQJS-WDEREUQCSA-N 2 0 282.388 -0.465 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000419667582 420245910 /nfs/dbraw/zinc/24/59/10/420245910.db2.gz CAYFZSUYQBPWJD-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000419881138 420245953 /nfs/dbraw/zinc/24/59/53/420245953.db2.gz ATMLSQYRODESST-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419529426 420246607 /nfs/dbraw/zinc/24/66/07/420246607.db2.gz XRYNHUOSIZQIDL-XQQFMLRXSA-N 2 0 296.415 -0.347 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655414127 420246940 /nfs/dbraw/zinc/24/69/40/420246940.db2.gz HDYHMWAYNUQXEJ-DZGCQCFKSA-N 2 0 280.416 -0.260 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419902866 420247044 /nfs/dbraw/zinc/24/70/44/420247044.db2.gz VNIWMVIJDNRYMF-LBPRGKRZSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000420015882 420247059 /nfs/dbraw/zinc/24/70/59/420247059.db2.gz MMXCRGNIWGXGCS-VXGBXAGGSA-N 2 0 284.404 -0.362 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419901828 420247121 /nfs/dbraw/zinc/24/71/21/420247121.db2.gz VDLDYYGRZRVBDT-NEPJUHHUSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655449463 420249363 /nfs/dbraw/zinc/24/93/63/420249363.db2.gz HIFAUOKMUYAEEA-DZGCQCFKSA-N 2 0 280.416 -0.260 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655451052 420249410 /nfs/dbraw/zinc/24/94/10/420249410.db2.gz AEBAZCBOOZDQJL-AAEUAGOBSA-N 2 0 255.362 -0.272 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655449751 420249448 /nfs/dbraw/zinc/24/94/48/420249448.db2.gz NTKRLVHLLMZBAE-VNHYZAJKSA-N 2 0 280.416 -0.262 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000655448813 420249976 /nfs/dbraw/zinc/24/99/76/420249976.db2.gz YGIBJKZHFZFSGM-QWHCGFSZSA-N 2 0 284.404 -0.883 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@H+](C)C1CC([NH3+])C1 ZINC000420340207 420252227 /nfs/dbraw/zinc/25/22/27/420252227.db2.gz SVYNCWFVLAOVHA-UHFFFAOYSA-N 2 0 257.334 -0.571 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000422891017 420253258 /nfs/dbraw/zinc/25/32/58/420253258.db2.gz UJOJDUJXWUVCEB-UPJWGTAASA-N 2 0 268.405 -0.086 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655478181 420255481 /nfs/dbraw/zinc/25/54/81/420255481.db2.gz PFXPTGGXAWCADA-GMXVVIOVSA-N 2 0 253.346 -0.519 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)CC[NH2+]C)C1 ZINC000423061710 420255700 /nfs/dbraw/zinc/25/57/00/420255700.db2.gz RJYUEVWGGPICIY-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000423601825 420257037 /nfs/dbraw/zinc/25/70/37/420257037.db2.gz ZVTQLWCHAILRPE-FRRDWIJNSA-N 2 0 296.415 -0.267 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)[C@@H](C)C[NH2+]1 ZINC000423634766 420257453 /nfs/dbraw/zinc/25/74/53/420257453.db2.gz QYXPGIBRMOHMRZ-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP [NH3+]C[C@@H](NC(=O)CN1CCCC[C@H]([NH3+])C1=O)C(F)(F)F ZINC000655518624 420261646 /nfs/dbraw/zinc/26/16/46/420261646.db2.gz IMXGGKSCRVCNDJ-JGVFFNPUSA-N 2 0 296.293 -0.668 20 0 CBADRP [NH3+]C[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)C(F)(F)F ZINC000655514847 420262668 /nfs/dbraw/zinc/26/26/68/420262668.db2.gz DPAAGHBLIQSFCC-RQJHMYQMSA-N 2 0 255.240 -0.629 20 0 CBADRP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000429680449 420270517 /nfs/dbraw/zinc/27/05/17/420270517.db2.gz SWMLBFIGWXUWEW-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655917326 420275847 /nfs/dbraw/zinc/27/58/47/420275847.db2.gz PMEUKCUXQKIKPM-IUCAKERBSA-N 2 0 297.325 -0.579 20 0 CBADRP CC1(CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]CC1 ZINC000655964978 420283957 /nfs/dbraw/zinc/28/39/57/420283957.db2.gz KMCISJIJNVZMAD-QWHCGFSZSA-N 2 0 296.415 -0.164 20 0 CBADRP [NH3+]C[C@@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000655964525 420284077 /nfs/dbraw/zinc/28/40/77/420284077.db2.gz WVRCQXHDZSXRIK-QJPTWQEYSA-N 2 0 268.361 -0.816 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655965094 420284729 /nfs/dbraw/zinc/28/47/29/420284729.db2.gz NENJSEXZVOZOCD-GARJFASQSA-N 2 0 256.350 -0.816 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655967162 420284820 /nfs/dbraw/zinc/28/48/20/420284820.db2.gz OAIMSQMMJFOUNK-XQHKEYJVSA-N 2 0 282.388 -0.555 20 0 CBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655967160 420284907 /nfs/dbraw/zinc/28/49/07/420284907.db2.gz OAIMSQMMJFOUNK-RVMXOQNASA-N 2 0 282.388 -0.555 20 0 CBADRP [NH3+][C@H](CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000655965342 420285366 /nfs/dbraw/zinc/28/53/66/420285366.db2.gz RXXYTPMFRXXVFZ-QJPTWQEYSA-N 2 0 268.361 -0.816 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](Cn2cc([C@@H]([NH3+])CO)nn2)C1 ZINC000656449051 420309799 /nfs/dbraw/zinc/30/97/99/420309799.db2.gz WWKUWSWTYPFVJB-RYUDHWBXSA-N 2 0 283.376 -0.373 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000516768631 420363158 /nfs/dbraw/zinc/36/31/58/420363158.db2.gz NODDTRUUJJRBQQ-BQBZGAKWSA-N 2 0 257.256 -0.254 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCO[C@H]2CC2(F)F)CC1 ZINC000656707475 420319581 /nfs/dbraw/zinc/31/95/81/420319581.db2.gz CCZLDOPOVMLHDZ-RYUDHWBXSA-N 2 0 293.358 -0.392 20 0 CBADRP CN(C[C@H]1CCCN(C(=O)C[NH3+])C1)CC(C)(C)[NH3+] ZINC000656786456 420321426 /nfs/dbraw/zinc/32/14/26/420321426.db2.gz ZIKBGSCTJAXXNN-LLVKDONJSA-N 2 0 256.394 -0.147 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000516766133 420363478 /nfs/dbraw/zinc/36/34/78/420363478.db2.gz DBWREUBDAAQTPM-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H](Cn1cncn1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000657847343 420363485 /nfs/dbraw/zinc/36/34/85/420363485.db2.gz URIDDSRYDKOYMN-VXGBXAGGSA-N 2 0 253.350 -0.287 20 0 CBADRP COC(=O)N1CC(NC[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000496791141 420326767 /nfs/dbraw/zinc/32/67/67/420326767.db2.gz DVKRBPLPPRNWIA-LLVKDONJSA-N 2 0 257.334 -0.518 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC000673517872 544875856 /nfs/dbraw/zinc/87/58/56/544875856.db2.gz XVIHKRFPEGLKFV-OLZOCXBDSA-N 2 0 269.389 -0.006 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000516760716 420364087 /nfs/dbraw/zinc/36/40/87/420364087.db2.gz FEHHTNHYUAIQNG-DGCLKSJQSA-N 2 0 255.362 -0.272 20 0 CBADRP CNS(=O)(=O)CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657441959 420355079 /nfs/dbraw/zinc/35/50/79/420355079.db2.gz KUJWMDGUNSNHQJ-UHFFFAOYSA-N 2 0 295.368 -0.094 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000516568621 420361387 /nfs/dbraw/zinc/36/13/87/420361387.db2.gz PNUWARXDVPZTSQ-CMPLNLGQSA-N 2 0 255.362 -0.049 20 0 CBADRP CN1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)[C@@H](C[NH3+])C1 ZINC000516648837 420361874 /nfs/dbraw/zinc/36/18/74/420361874.db2.gz ATMZFJLGBBTDHT-NWDGAFQWSA-N 2 0 266.389 -0.523 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000656020615 420292806 /nfs/dbraw/zinc/29/28/06/420292806.db2.gz SSZNEUUAAMRUSA-WCQGTBRESA-N 2 0 282.388 -0.704 20 0 CBADRP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656022665 420292827 /nfs/dbraw/zinc/29/28/27/420292827.db2.gz JEXRCVIYZZYBIS-RYUDHWBXSA-N 2 0 280.372 -0.793 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656021705 420292853 /nfs/dbraw/zinc/29/28/53/420292853.db2.gz HFWZGZQFBSGFJG-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP [NH3+]CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656019610 420293364 /nfs/dbraw/zinc/29/33/64/420293364.db2.gz HNPRKPDFRSZYDA-MNOVXSKESA-N 2 0 268.361 -0.806 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000656023034 420293485 /nfs/dbraw/zinc/29/34/85/420293485.db2.gz RSAQTNBXYPZJFQ-UPJWGTAASA-N 2 0 296.415 -0.299 20 0 CBADRP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656022663 420293490 /nfs/dbraw/zinc/29/34/90/420293490.db2.gz JEXRCVIYZZYBIS-NEPJUHHUSA-N 2 0 280.372 -0.793 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656024436 420293558 /nfs/dbraw/zinc/29/35/58/420293558.db2.gz PMKGHIVHDOPNMQ-FIQHERPVSA-N 2 0 284.404 -0.315 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000656020614 420293752 /nfs/dbraw/zinc/29/37/52/420293752.db2.gz SSZNEUUAAMRUSA-ADEWGFFLSA-N 2 0 282.388 -0.704 20 0 CBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000656020962 420294085 /nfs/dbraw/zinc/29/40/85/420294085.db2.gz YYEKHUYNSOCOHZ-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656023190 420294145 /nfs/dbraw/zinc/29/41/45/420294145.db2.gz XYFYWBVTTXGNLD-MXWKQRLJSA-N 2 0 270.377 -0.846 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656022700 420294149 /nfs/dbraw/zinc/29/41/49/420294149.db2.gz KLABPLRMZHZSOI-AGIUHOORSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656040591 420294570 /nfs/dbraw/zinc/29/45/70/420294570.db2.gz MJSGIISDEHENOX-SDDRHHMPSA-N 2 0 282.388 -0.737 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C[NH3+])OC)C1 ZINC000447435655 420294971 /nfs/dbraw/zinc/29/49/71/420294971.db2.gz QCJHSCTUCUNCJH-WDEREUQCSA-N 2 0 259.350 -0.813 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656028453 420295030 /nfs/dbraw/zinc/29/50/30/420295030.db2.gz LFUWPVUAOZWIRU-JHJVBQTASA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000656042057 420295682 /nfs/dbraw/zinc/29/56/82/420295682.db2.gz VDWSKNOJGSNPKB-UTUOFQBUSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H](C)C[NH2+]1 ZINC000656042824 420295739 /nfs/dbraw/zinc/29/57/39/420295739.db2.gz VOMRGIPSKIPRFY-XQHKEYJVSA-N 2 0 296.415 -0.348 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656028058 420295856 /nfs/dbraw/zinc/29/58/56/420295856.db2.gz IBGQHDGKBNBTEI-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H](Cn1cncn1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000657847341 420364549 /nfs/dbraw/zinc/36/45/49/420364549.db2.gz URIDDSRYDKOYMN-RYUDHWBXSA-N 2 0 253.350 -0.287 20 0 CBADRP CNC(=O)NC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000517031554 420370837 /nfs/dbraw/zinc/37/08/37/420370837.db2.gz MFEFAFFVZBMISN-PWSUYJOCSA-N 2 0 284.360 -0.730 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000517234741 420373566 /nfs/dbraw/zinc/37/35/66/420373566.db2.gz OMCIFPPQJYIZQD-RYUDHWBXSA-N 2 0 292.387 -0.146 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000517373246 420376311 /nfs/dbraw/zinc/37/63/11/420376311.db2.gz QCGUHYMMZKWKJJ-DCAQKATOSA-N 2 0 271.361 -0.099 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000517375491 420376844 /nfs/dbraw/zinc/37/68/44/420376844.db2.gz QTLQSLNBRZOGPO-QWHCGFSZSA-N 2 0 294.399 -0.402 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccccc1CC[NH3+] ZINC000517953937 420380069 /nfs/dbraw/zinc/38/00/69/420380069.db2.gz RWDUMVNJQAGQGW-CYBMUJFWSA-N 2 0 276.384 -0.179 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658652275 420384931 /nfs/dbraw/zinc/38/49/31/420384931.db2.gz XWUAPZAIDQAXGD-UHFFFAOYSA-N 2 0 298.431 -0.193 20 0 CBADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+](C)C ZINC000674288400 544900432 /nfs/dbraw/zinc/90/04/32/544900432.db2.gz DXQDZDJIYGNXSN-UONOGXRCSA-N 2 0 298.431 -0.541 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000673543289 544880301 /nfs/dbraw/zinc/88/03/01/544880301.db2.gz CQFIAGFXNSKECX-NSHDSACASA-N 2 0 272.393 -0.491 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCN([C@@H]3CCOC3)CC2)C1 ZINC000676341416 544948247 /nfs/dbraw/zinc/94/82/47/544948247.db2.gz RLCQJHCUWQOQQM-QWHCGFSZSA-N 2 0 267.373 -0.129 20 0 CBADRP C[C@@H]1CCCN(C(=O)c2cn(CC[NH3+])nn2)[C@H]1C[NH3+] ZINC000659291182 420406257 /nfs/dbraw/zinc/40/62/57/420406257.db2.gz OUWXVTIAQSWWSK-KOLCDFICSA-N 2 0 266.349 -0.564 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)c1cn(CC[NH3+])nn1 ZINC000659298251 420408411 /nfs/dbraw/zinc/40/84/11/420408411.db2.gz YKIUDODSTKAQTL-SECBINFHSA-N 2 0 254.338 -0.660 20 0 CBADRP [NH3+]CCn1cc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)nn1 ZINC000659305734 420408794 /nfs/dbraw/zinc/40/87/94/420408794.db2.gz XAPQIISSUSIZME-UHFFFAOYSA-N 2 0 286.339 -0.230 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000659304413 420409518 /nfs/dbraw/zinc/40/95/18/420409518.db2.gz TXPOSAIJWOAIRT-ONGXEEELSA-N 2 0 266.349 -0.421 20 0 CBADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cn(CC[NH3+])nn1 ZINC000659323477 420410916 /nfs/dbraw/zinc/41/09/16/420410916.db2.gz BFXNZKATVODEEG-SECBINFHSA-N 2 0 254.338 -0.660 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)nn1 ZINC000659325175 420412167 /nfs/dbraw/zinc/41/21/67/420412167.db2.gz MNIPZHNUAVHQTD-NSHDSACASA-N 2 0 286.339 -0.233 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659453284 420420364 /nfs/dbraw/zinc/42/03/64/420420364.db2.gz JMMMLBGDEYWIHG-QJPTWQEYSA-N 2 0 287.383 -0.687 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000659452516 420420404 /nfs/dbraw/zinc/42/04/04/420420404.db2.gz CLJKMOCHCOBJBB-QWHCGFSZSA-N 2 0 285.436 -0.095 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000659453819 420420948 /nfs/dbraw/zinc/42/09/48/420420948.db2.gz RUNLCLNHMALPQM-NSHDSACASA-N 2 0 271.409 -0.389 20 0 CBADRP C[C@@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[C@H](C)[NH3+] ZINC000659357988 420413874 /nfs/dbraw/zinc/41/38/74/420413874.db2.gz FFAMLGJXJRKQLQ-MNOVXSKESA-N 2 0 272.393 -0.552 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCCC(=O)N1 ZINC000677539476 544977668 /nfs/dbraw/zinc/97/76/68/544977668.db2.gz YLSZJTKHTZBUOB-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CC1([NH3+])CCC1 ZINC000659358484 420414644 /nfs/dbraw/zinc/41/46/44/420414644.db2.gz QXLQDZZUFQDLGD-UHFFFAOYSA-N 2 0 284.404 -0.264 20 0 CBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659358654 420415679 /nfs/dbraw/zinc/41/56/79/420415679.db2.gz SKCNPHKYDPORET-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)CC[C@H]1F ZINC000659388976 420417530 /nfs/dbraw/zinc/41/75/30/420417530.db2.gz OIXICLCGEQILCA-GMTAPVOTSA-N 2 0 259.325 -0.347 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000677868604 544987421 /nfs/dbraw/zinc/98/74/21/544987421.db2.gz JDGFAUPQIFTGJC-CHWSQXEVSA-N 2 0 266.389 -0.413 20 0 CBADRP CC[NH2+]CCNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659514259 420425403 /nfs/dbraw/zinc/42/54/03/420425403.db2.gz GMUBDNZPMKWGLR-UHFFFAOYSA-N 2 0 287.408 -0.743 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000659508386 420425441 /nfs/dbraw/zinc/42/54/41/420425441.db2.gz USKGVUQTUUWWIC-CYBMUJFWSA-N 2 0 283.420 -0.325 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC[C@@H]2CCCC[NH2+]2)n1 ZINC000659508477 420425617 /nfs/dbraw/zinc/42/56/17/420425617.db2.gz QKMDGZKMQROLPK-VIFPVBQESA-N 2 0 294.359 -0.418 20 0 CBADRP C[NH2+]CCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000659512504 420425885 /nfs/dbraw/zinc/42/58/85/420425885.db2.gz PLXKCQIGLHYFGD-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP C[C@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)c1nccn1C ZINC000659507874 420426241 /nfs/dbraw/zinc/42/62/41/420426241.db2.gz LNOKKXXTEUEPGS-JTQLQIEISA-N 2 0 294.359 -0.788 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000659514551 420426978 /nfs/dbraw/zinc/42/69/78/420426978.db2.gz BOUGIQZWACHWDH-GFCCVEGCSA-N 2 0 299.419 -0.600 20 0 CBADRP COCC[NH2+]CCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659526564 420428096 /nfs/dbraw/zinc/42/80/96/420428096.db2.gz CXKNGIKBJZZZQU-LLVKDONJSA-N 2 0 260.382 -0.105 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC(C)(C)[NH3+] ZINC000659520978 420428684 /nfs/dbraw/zinc/42/86/84/420428684.db2.gz OIWZOUVXZKBSBL-UHFFFAOYSA-N 2 0 287.408 -0.615 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659528196 420428928 /nfs/dbraw/zinc/42/89/28/420428928.db2.gz BDYPHUAIRNYWJY-NSHDSACASA-N 2 0 287.408 -0.615 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659523722 420429096 /nfs/dbraw/zinc/42/90/96/420429096.db2.gz NMLBGNVYUGXRBH-SECBINFHSA-N 2 0 296.375 -0.042 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659522502 420429219 /nfs/dbraw/zinc/42/92/19/420429219.db2.gz LLZPQVQGGWIEOT-SECBINFHSA-N 2 0 296.375 -0.187 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000659542925 420431187 /nfs/dbraw/zinc/43/11/87/420431187.db2.gz RWBUBGWCNAGDAE-ZYHUDNBSSA-N 2 0 258.366 -0.338 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000659548076 420432623 /nfs/dbraw/zinc/43/26/23/420432623.db2.gz DQLVNIHWLGXDJF-AKJDGMEZSA-N 2 0 268.361 -0.502 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000680833515 545040766 /nfs/dbraw/zinc/04/07/66/545040766.db2.gz ZMTHAZRLPVZEIB-WCQYABFASA-N 2 0 270.377 -0.554 20 0 CBADRP CN(C)C(=O)CN1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000682704012 545060804 /nfs/dbraw/zinc/06/08/04/545060804.db2.gz MEDCDXLSUKPMSH-UHFFFAOYSA-N 2 0 268.405 -0.308 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000659750969 420467774 /nfs/dbraw/zinc/46/77/74/420467774.db2.gz ROROBLLDJDMKED-AVGNSLFASA-N 2 0 296.415 -0.347 20 0 CBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659752659 420468143 /nfs/dbraw/zinc/46/81/43/420468143.db2.gz KZIYNTMPPWFTPO-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000659754322 420468172 /nfs/dbraw/zinc/46/81/72/420468172.db2.gz DUYKXEORLKTDNG-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000659752007 420468204 /nfs/dbraw/zinc/46/82/04/420468204.db2.gz KIJLWELDSRHSIT-NEPJUHHUSA-N 2 0 284.404 -0.301 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000659753963 420468542 /nfs/dbraw/zinc/46/85/42/420468542.db2.gz CADWBCFTWJQWAR-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000659756787 420468981 /nfs/dbraw/zinc/46/89/81/420468981.db2.gz SJCQMDCKWZSQDO-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CN1CCN(C(=O)NCC23CC(C2)C[NH2+]3)[C@@H](C[NH3+])C1 ZINC000659612476 420437815 /nfs/dbraw/zinc/43/78/15/420437815.db2.gz VYBQRXPTSNLENW-AKJDGMEZSA-N 2 0 267.377 -0.977 20 0 CBADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[NH2+]CC1 ZINC000659608319 420437933 /nfs/dbraw/zinc/43/79/33/420437933.db2.gz MSFGCBGXZRYTEP-CYBMUJFWSA-N 2 0 282.388 -0.146 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659615192 420438324 /nfs/dbraw/zinc/43/83/24/420438324.db2.gz JFDONXZCTWZDFT-UHFFFAOYSA-N 2 0 270.377 -0.648 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)[C@@H](C)C1 ZINC000659615321 420438666 /nfs/dbraw/zinc/43/86/66/420438666.db2.gz YSBQFTGAKJTNGO-YKQCJFHZSA-N 2 0 296.415 -0.165 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000659619626 420439150 /nfs/dbraw/zinc/43/91/50/420439150.db2.gz QDHWXUGJJFEQOP-NWDGAFQWSA-N 2 0 271.409 -0.356 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659628880 420439206 /nfs/dbraw/zinc/43/92/06/420439206.db2.gz LIYMQIXLQXKTRD-DTWKUNHWSA-N 2 0 294.359 -0.467 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000659634136 420440742 /nfs/dbraw/zinc/44/07/42/420440742.db2.gz BODSDRDHGBJRPE-SDDRHHMPSA-N 2 0 272.393 -0.309 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000659648918 420442791 /nfs/dbraw/zinc/44/27/91/420442791.db2.gz WAPGLDLKUGRMMA-GFCCVEGCSA-N 3 0 273.425 -0.271 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000659642742 420443455 /nfs/dbraw/zinc/44/34/55/420443455.db2.gz LRCAEPXEQYFVPH-QWRGUYRKSA-N 2 0 285.392 -0.909 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000659643272 420443676 /nfs/dbraw/zinc/44/36/76/420443676.db2.gz PTUQGCNHGKIWGR-NWDGAFQWSA-N 2 0 272.393 -0.260 20 0 CBADRP C[C@@H]1CCN(C(=O)C(=O)NCCn2ccnc2)[C@H](C[NH3+])C1 ZINC000659676699 420446597 /nfs/dbraw/zinc/44/65/97/420446597.db2.gz FWPXNXDBYVXNGD-NEPJUHHUSA-N 2 0 293.371 -0.415 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](c1ccco1)N(C)C ZINC000659673167 420446808 /nfs/dbraw/zinc/44/68/08/420446808.db2.gz HSSBGZUUSYDBMP-WDEREUQCSA-N 2 0 296.371 -0.277 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000659677522 420448110 /nfs/dbraw/zinc/44/81/10/420448110.db2.gz DMLJJLTZWBRJII-DCAQKATOSA-N 2 0 270.377 -0.691 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000659695120 420450556 /nfs/dbraw/zinc/45/05/56/420450556.db2.gz RVEOMIQFMWFZHS-NHCYSSNCSA-N 2 0 282.388 -0.691 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000659694466 420450569 /nfs/dbraw/zinc/45/05/69/420450569.db2.gz UECPAEDQJAHWKB-AXFHLTTASA-N 2 0 282.388 -0.548 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000659695114 420450762 /nfs/dbraw/zinc/45/07/62/420450762.db2.gz RVEOMIQFMWFZHS-JBLDHEPKSA-N 2 0 282.388 -0.691 20 0 CBADRP C[C@H](NC(=O)C(=O)N(C)CCC[NH3+])C1CC[NH+](C)CC1 ZINC000659696425 420450889 /nfs/dbraw/zinc/45/08/89/420450889.db2.gz NXZDUVYNKWBUAN-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000659699556 420452264 /nfs/dbraw/zinc/45/22/64/420452264.db2.gz XHYIFJWRVCHKPT-LBPRGKRZSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H](C)C[NH2+]C)C1CC1 ZINC000659699950 420452327 /nfs/dbraw/zinc/45/23/27/420452327.db2.gz XXYVYSCEOBOJRE-SNVBAGLBSA-N 2 0 270.377 -0.689 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000659702559 420453179 /nfs/dbraw/zinc/45/31/79/420453179.db2.gz PVFYUKSFLNTGCR-ZJUUUORDSA-N 2 0 270.377 -0.691 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@H]([NH3+])C2CCC2)n1 ZINC000570573584 420453349 /nfs/dbraw/zinc/45/33/49/420453349.db2.gz UWAZITPPURUIKS-LBPRGKRZSA-N 2 0 265.361 0.511 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659708843 420453797 /nfs/dbraw/zinc/45/37/97/420453797.db2.gz ZVUWRGYZQMFSPQ-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000659709262 420453824 /nfs/dbraw/zinc/45/38/24/420453824.db2.gz GMMMKCZGUFOFAE-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000659708816 420454312 /nfs/dbraw/zinc/45/43/12/420454312.db2.gz ABZBRKPVICSRRI-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])C[NH+]1CCCC1 ZINC000659708947 420454327 /nfs/dbraw/zinc/45/43/27/420454327.db2.gz AKTDTZFLOZMFPX-LBPRGKRZSA-N 2 0 284.404 -0.358 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659708294 420454361 /nfs/dbraw/zinc/45/43/61/420454361.db2.gz PJTYWPHDLOXCSE-NSHDSACASA-N 2 0 272.393 -0.441 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000659711778 420454726 /nfs/dbraw/zinc/45/47/26/420454726.db2.gz ASJLCKVFPKCBEU-VXGBXAGGSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000659710791 420455132 /nfs/dbraw/zinc/45/51/32/420455132.db2.gz UXJAGWQLOAGJTJ-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659710059 420455335 /nfs/dbraw/zinc/45/53/35/420455335.db2.gz LKTGPMPPEWMUHM-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000659711333 420455472 /nfs/dbraw/zinc/45/54/72/420455472.db2.gz ZQEIFNFGFHFDNQ-SRVKXCTJSA-N 2 0 282.388 -0.547 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000659712814 420456125 /nfs/dbraw/zinc/45/61/25/420456125.db2.gz MFDQWWMGQUTPPL-NEPJUHHUSA-N 2 0 296.415 -0.156 20 0 CBADRP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659714001 420456338 /nfs/dbraw/zinc/45/63/38/420456338.db2.gz INCVFHZHOXDRKG-LLVKDONJSA-N 2 0 294.399 -0.402 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000659714646 420456678 /nfs/dbraw/zinc/45/66/78/420456678.db2.gz OBAZNDHXCQZOCA-VIFPVBQESA-N 2 0 268.361 -0.937 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000659715384 420456975 /nfs/dbraw/zinc/45/69/75/420456975.db2.gz SYXVVRUBYCZENQ-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH3+])C1 ZINC000659715381 420457128 /nfs/dbraw/zinc/45/71/28/420457128.db2.gz SYXVVRUBYCZENQ-GHMZBOCLSA-N 2 0 270.377 -0.702 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)[NH3+])C1 ZINC000659715458 420457438 /nfs/dbraw/zinc/45/74/38/420457438.db2.gz PFQCAWYSQVBCPG-UWVGGRQHSA-N 2 0 256.350 -0.950 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH3+])C1 ZINC000659718537 420457681 /nfs/dbraw/zinc/45/76/81/420457681.db2.gz QWLXQOSDVDIZKJ-NXEZZACHSA-N 2 0 256.350 -0.950 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659718215 420457894 /nfs/dbraw/zinc/45/78/94/420457894.db2.gz MRXPAXKYQXUZLG-WDEREUQCSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659716263 420458232 /nfs/dbraw/zinc/45/82/32/420458232.db2.gz VVHACMRSBFGWAL-VXGBXAGGSA-N 2 0 296.415 -0.027 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000659726594 420460206 /nfs/dbraw/zinc/46/02/06/420460206.db2.gz FESHZBKACXNQHL-GFCCVEGCSA-N 2 0 296.415 -0.168 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000659725990 420460215 /nfs/dbraw/zinc/46/02/15/420460215.db2.gz GJCXNSSNYOHXFQ-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@]2(C)CCC[NH2+]2)n1 ZINC000574574991 420460371 /nfs/dbraw/zinc/46/03/71/420460371.db2.gz KDVZKVBOCMSBHM-CYBMUJFWSA-N 2 0 265.361 0.525 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659731447 420461410 /nfs/dbraw/zinc/46/14/10/420461410.db2.gz FYGOPRUOYFEYIN-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000659738868 420462966 /nfs/dbraw/zinc/46/29/66/420462966.db2.gz JKAJTEPEGWLAKB-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000659738863 420463135 /nfs/dbraw/zinc/46/31/35/420463135.db2.gz JGSBJANWGPKUDG-WFASDCNBSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)C1 ZINC000659738288 420463706 /nfs/dbraw/zinc/46/37/06/420463706.db2.gz DHIJTGZELJVVQH-AVGNSLFASA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000659739443 420464412 /nfs/dbraw/zinc/46/44/12/420464412.db2.gz UPCPJRGQBOOJGR-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000659748822 420466244 /nfs/dbraw/zinc/46/62/44/420466244.db2.gz BZYWFNAKUKYVPW-LBPRGKRZSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000659748821 420466418 /nfs/dbraw/zinc/46/64/18/420466418.db2.gz BZYWFNAKUKYVPW-GFCCVEGCSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000659750852 420466852 /nfs/dbraw/zinc/46/68/52/420466852.db2.gz QNLYKEHBGHDSDS-SRVKXCTJSA-N 2 0 284.404 -0.348 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659751330 420466904 /nfs/dbraw/zinc/46/69/04/420466904.db2.gz TWFRZWQIYSUQML-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCc1c[nH]nn1 ZINC000660145369 420485933 /nfs/dbraw/zinc/48/59/33/420485933.db2.gz PJWGNRJDWSQDDO-UHFFFAOYSA-N 2 0 266.393 -0.084 20 0 CBADRP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](CCO)[C@@H](C)C1 ZINC000660332988 420489331 /nfs/dbraw/zinc/48/93/31/420489331.db2.gz ZCEBSFQWCSGOKD-UONOGXRCSA-N 2 0 273.421 -0.314 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000517745885 260022330 /nfs/dbraw/zinc/02/23/30/260022330.db2.gz MMNLETWHPFGHFS-IVZWLZJFSA-N 2 0 256.350 -0.903 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000517745883 260022529 /nfs/dbraw/zinc/02/25/29/260022529.db2.gz MMNLETWHPFGHFS-AEJSXWLSSA-N 2 0 256.350 -0.903 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000517932481 260320293 /nfs/dbraw/zinc/32/02/93/260320293.db2.gz MFGDLDMYSWRORC-GRYCIOLGSA-N 2 0 280.372 -0.935 20 0 CBADRP COC[C@]1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC000518180745 260350876 /nfs/dbraw/zinc/35/08/76/260350876.db2.gz ZMSNEZCLWRQHDL-HIFRSBDPSA-N 2 0 296.415 -0.881 20 0 CBADRP [NH3+]C[C@H]1CCCCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000519152371 265339503 /nfs/dbraw/zinc/33/95/03/265339503.db2.gz RRUCTLUQWRWWOD-NEPJUHHUSA-N 2 0 282.388 -0.416 20 0 CBADRP Cc1noc(CCC[N@@H+](C)CC(=O)N2CC[NH2+]CC2)n1 ZINC000520231331 265695950 /nfs/dbraw/zinc/69/59/50/265695950.db2.gz WIZWMINLHOVFEB-UHFFFAOYSA-N 2 0 281.360 -0.326 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000516635261 269591492 /nfs/dbraw/zinc/59/14/92/269591492.db2.gz ZTLQZMSLKPUENW-CYBMUJFWSA-N 2 0 283.420 -0.374 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000516760718 269591577 /nfs/dbraw/zinc/59/15/77/269591577.db2.gz FEHHTNHYUAIQNG-YPMHNXCESA-N 2 0 255.362 -0.272 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000517370438 269597149 /nfs/dbraw/zinc/59/71/49/269597149.db2.gz YCQJCCPRPYGLCA-LPEHRKFASA-N 2 0 256.350 -0.903 20 0 CBADRP C[C@@]1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCC[NH2+]C1 ZINC000517569773 269598612 /nfs/dbraw/zinc/59/86/12/269598612.db2.gz NVZJKLQKKDUUAI-UKRRQHHQSA-N 2 0 280.416 -0.118 20 0 CBADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529376199 269632792 /nfs/dbraw/zinc/63/27/92/269632792.db2.gz QHLVZNPCCPMNRP-STQMWFEESA-N 2 0 284.404 -0.044 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cn[nH]n1 ZINC000531119197 269645295 /nfs/dbraw/zinc/64/52/95/269645295.db2.gz UZFDZKNWKGYABX-UHFFFAOYSA-N 2 0 254.338 -0.630 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)CNC(=O)C[NH3+])Cc1ccccc1 ZINC000347618612 273813234 /nfs/dbraw/zinc/81/32/34/273813234.db2.gz XEDKXEJEFWIJEB-ZDUSSCGKSA-N 2 0 292.383 -0.650 20 0 CBADRP CC(C)[C@@H](CNC(=O)CNC(=O)C[NH3+])[NH+]1CCC(C)CC1 ZINC000262115591 275669467 /nfs/dbraw/zinc/66/94/67/275669467.db2.gz HRPKOLSXSQKNPX-CYBMUJFWSA-N 2 0 298.431 -0.066 20 0 CBADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000353443039 276005869 /nfs/dbraw/zinc/00/58/69/276005869.db2.gz BXDNTHXWUOUPBI-RDBSUJKOSA-N 2 0 282.432 -0.018 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419775440 276115717 /nfs/dbraw/zinc/11/57/17/276115717.db2.gz IOUAQEBCYKNJOA-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@H+](CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000354705217 276125433 /nfs/dbraw/zinc/12/54/33/276125433.db2.gz FYNKLWRRELPGPU-ZDUSSCGKSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000355262518 276161777 /nfs/dbraw/zinc/16/17/77/276161777.db2.gz HAJVNGFQPIPNTF-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000419912274 276265871 /nfs/dbraw/zinc/26/58/71/276265871.db2.gz WDCKDHHPUDHLBL-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420083546 276378412 /nfs/dbraw/zinc/37/84/12/276378412.db2.gz WXQZOEOZXBHVPC-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)C2)CC1 ZINC000446405985 276387374 /nfs/dbraw/zinc/38/73/74/276387374.db2.gz OEMWBADPVZNWRW-MELADBBJSA-N 2 0 298.406 -0.075 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419887919 276779391 /nfs/dbraw/zinc/77/93/91/276779391.db2.gz JSMLUWPRCQNNQW-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000419555101 277030561 /nfs/dbraw/zinc/03/05/61/277030561.db2.gz IYZWPIAGGBEZCK-QJPTWQEYSA-N 2 0 284.404 -0.443 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000423592505 277031989 /nfs/dbraw/zinc/03/19/89/277031989.db2.gz KVUKGFCJTCTIDD-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[NH3+])[C@@H]1c1ccccc1 ZINC000418912904 277164512 /nfs/dbraw/zinc/16/45/12/277164512.db2.gz RXIHJFOOFBVPCB-STQMWFEESA-N 2 0 290.367 -0.377 20 0 CBADRP CNC(=O)[C@@H]1CCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433140149 277242272 /nfs/dbraw/zinc/24/22/72/277242272.db2.gz ZUTKPLWRPZZIQB-ZDUSSCGKSA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)(C)[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000430901544 277248931 /nfs/dbraw/zinc/24/89/31/277248931.db2.gz VRIVMWONJKVUOS-WDEREUQCSA-N 2 0 284.404 -0.184 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000419555600 277267012 /nfs/dbraw/zinc/26/70/12/277267012.db2.gz JMKAJDLLTXILLQ-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000419863793 277271093 /nfs/dbraw/zinc/27/10/93/277271093.db2.gz AGBFRFPPUGTTOM-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252644487 277281065 /nfs/dbraw/zinc/28/10/65/277281065.db2.gz ORVOPKSZSDOTDX-SRVKXCTJSA-N 2 0 255.362 -0.179 20 0 CBADRP CC(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000262536649 277385876 /nfs/dbraw/zinc/38/58/76/277385876.db2.gz QKSJTBGDZMYRSW-QWHCGFSZSA-N 2 0 269.389 -0.054 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])C1 ZINC000419150220 277389999 /nfs/dbraw/zinc/38/99/99/277389999.db2.gz KYBUXMJTZXKWKP-STQMWFEESA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000357296205 277765946 /nfs/dbraw/zinc/76/59/46/277765946.db2.gz KVCIPDYBDYISFD-HNCHTBHHSA-N 2 0 255.362 -0.132 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000355250623 278228608 /nfs/dbraw/zinc/22/86/08/278228608.db2.gz DXFLKHJZILEJSB-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000487168345 288087434 /nfs/dbraw/zinc/08/74/34/288087434.db2.gz ZWBMIZHGCQGYDR-MDZLAQPJSA-N 2 0 255.362 -0.633 20 0 CBADRP C[C@@H]1C[C@H](C)N(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000422536585 278953774 /nfs/dbraw/zinc/95/37/74/278953774.db2.gz FQRJDGSGQQTDGP-VOAKCMCISA-N 2 0 296.415 -0.314 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000359225869 278958099 /nfs/dbraw/zinc/95/80/99/278958099.db2.gz UEQXFGXTAVUDLE-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000423432964 279033846 /nfs/dbraw/zinc/03/38/46/279033846.db2.gz BWLCMORTELBRCA-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000418948799 279114182 /nfs/dbraw/zinc/11/41/82/279114182.db2.gz QWLIRFFELHRROW-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000418945152 279114316 /nfs/dbraw/zinc/11/43/16/279114316.db2.gz MMAFXFUXDQOGJI-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CCC[N@@H+]1C ZINC000419543755 279119605 /nfs/dbraw/zinc/11/96/05/279119605.db2.gz GRLVFJTZQOAHMZ-JHJVBQTASA-N 2 0 296.415 -0.156 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000423611171 279148390 /nfs/dbraw/zinc/14/83/90/279148390.db2.gz RWZVOMNMOGYCNR-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@]1(O)CC[NH+](CCOCC[N@H+]2CC[C@@](C)(O)C2)C1 ZINC000178732830 279173935 /nfs/dbraw/zinc/17/39/35/279173935.db2.gz IGJZRMHGFXKEHZ-ZIAGYGMSSA-N 2 0 272.389 -0.084 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)C1CC1 ZINC000419520981 279190620 /nfs/dbraw/zinc/19/06/20/279190620.db2.gz JHSYSXGDIGVHAS-VXGBXAGGSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419333990 288114825 /nfs/dbraw/zinc/11/48/25/288114825.db2.gz MWLNWFQDTVTLSQ-ICCXJUOJSA-N 2 0 294.399 -0.561 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419580436 279268722 /nfs/dbraw/zinc/26/87/22/279268722.db2.gz HKQSXKPRLKACGP-CHWSQXEVSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419593103 279278981 /nfs/dbraw/zinc/27/89/81/279278981.db2.gz SPAOLBXSGVWGSZ-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000333424641 288118712 /nfs/dbraw/zinc/11/87/12/288118712.db2.gz SZVDJJCYLWXILA-RTXFEEFZSA-N 2 0 282.388 -0.162 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357932602 288122087 /nfs/dbraw/zinc/12/20/87/288122087.db2.gz QKMZOZNJYHMRAW-QTKMDUPCSA-N 2 0 253.346 -0.692 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000419591547 279324696 /nfs/dbraw/zinc/32/46/96/279324696.db2.gz RHNVJQGHGIJQJS-MNOVXSKESA-N 2 0 282.388 -0.465 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000188193317 279326634 /nfs/dbraw/zinc/32/66/34/279326634.db2.gz DOTKTGZSQNLFOX-NWDGAFQWSA-N 2 0 255.362 -0.083 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCCN1CC[NH2+]CC1 ZINC000236648780 279352489 /nfs/dbraw/zinc/35/24/89/279352489.db2.gz LAQZUYJYRMHIBK-UHFFFAOYSA-N 2 0 256.394 -0.262 20 0 CBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444270423 279359021 /nfs/dbraw/zinc/35/90/21/279359021.db2.gz PUJUPQDUUPXPJM-QWHCGFSZSA-N 2 0 268.405 -0.262 20 0 CBADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418246700 279368040 /nfs/dbraw/zinc/36/80/40/279368040.db2.gz UGZAKOCVHLNFCU-CHWSQXEVSA-N 2 0 285.436 -0.082 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419338007 288126247 /nfs/dbraw/zinc/12/62/47/288126247.db2.gz RRFQAWYDHDNRNA-NQBHXWOUSA-N 2 0 294.399 -0.547 20 0 CBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)C[NH3+])[C@@H](C)C1 ZINC000347651340 279396513 /nfs/dbraw/zinc/39/65/13/279396513.db2.gz RHLMUSCRPYUWRH-WDEREUQCSA-N 2 0 270.377 -0.750 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419902863 279429101 /nfs/dbraw/zinc/42/91/01/279429101.db2.gz VNIWMVIJDNRYMF-GFCCVEGCSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000419428035 279500110 /nfs/dbraw/zinc/50/01/10/279500110.db2.gz SLZCMVGFNFWEOP-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCN1S(C)(=O)=O ZINC000346969368 288154061 /nfs/dbraw/zinc/15/40/61/288154061.db2.gz FHHOQUBZIUMTNQ-LLVKDONJSA-N 2 0 275.418 -0.048 20 0 CBADRP CCS(=O)(=O)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000019680355 280014110 /nfs/dbraw/zinc/01/41/10/280014110.db2.gz IDDZVYSUGUIDEK-UHFFFAOYSA-N 2 0 275.418 -0.047 20 0 CBADRP CC(C)[C@H](C(=O)N(C)CC(=O)N1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000422752764 280135219 /nfs/dbraw/zinc/13/52/19/280135219.db2.gz FJXQONPPQWSBNM-AAEUAGOBSA-N 2 0 284.404 -0.504 20 0 CBADRP CC(C)[C@H](C[NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000068805672 280236776 /nfs/dbraw/zinc/23/67/76/280236776.db2.gz USHLHZMWACQYFN-NEPJUHHUSA-N 2 0 256.394 -0.421 20 0 CBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCCC[NH3+] ZINC000419081178 281052626 /nfs/dbraw/zinc/05/26/26/281052626.db2.gz RCLCQOURPPXOGT-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000332234100 288306841 /nfs/dbraw/zinc/30/68/41/288306841.db2.gz NAOXMLQFHYXYFQ-UTUOFQBUSA-N 2 0 280.372 -0.759 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)CCCC1 ZINC000418844038 289043128 /nfs/dbraw/zinc/04/31/28/289043128.db2.gz SVLXACUCJNNRSH-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCC[N@@H+]1C ZINC000419538915 289048905 /nfs/dbraw/zinc/04/89/05/289048905.db2.gz AKSYXKULUXRDCZ-FRRDWIJNSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)N[C@H]2CCC[C@H]2C[NH3+])CCC[N@@H+]1C ZINC000419543789 289050164 /nfs/dbraw/zinc/05/01/64/289050164.db2.gz GUGZPOGRGQXDEE-XQHKEYJVSA-N 2 0 296.415 -0.171 20 0 CBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418389500 289131381 /nfs/dbraw/zinc/13/13/81/289131381.db2.gz TYLMDXMIAKTWFS-ZDUSSCGKSA-N 2 0 285.436 -0.127 20 0 CBADRP CN(CCC[N@H+](C)[C@H]1COC[C@@H]1O)CC[NH+](C)C ZINC000361394843 289133124 /nfs/dbraw/zinc/13/31/24/289133124.db2.gz ITBJWMNBXGFJQF-STQMWFEESA-N 2 0 259.394 -0.439 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@](C)(C[NH3+])C2)CC1=O ZINC000262024320 289159184 /nfs/dbraw/zinc/15/91/84/289159184.db2.gz PAAZTSJYYFVLPY-IUODEOHRSA-N 2 0 296.415 -0.406 20 0 CBADRP C[NH+](C)CCNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000442605938 289160552 /nfs/dbraw/zinc/16/05/52/289160552.db2.gz DQIGGXMXTVWTEL-UHFFFAOYSA-N 2 0 285.436 -0.127 20 0 CBADRP C[NH+](C)CCOCC[NH2+][C@H](C1CC1)[C@H]1CNCCO1 ZINC000423073211 289169921 /nfs/dbraw/zinc/16/99/21/289169921.db2.gz QYFDYGFBXKARHM-ZIAGYGMSSA-N 2 0 271.405 -0.079 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CNC(=O)C[NH3+])C1 ZINC000262387221 289298252 /nfs/dbraw/zinc/29/82/52/289298252.db2.gz LOOMNPGBDXHXBV-NXEZZACHSA-N 2 0 256.350 -0.950 20 0 CBADRP CN(C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333369661 289298901 /nfs/dbraw/zinc/29/89/01/289298901.db2.gz MFYLEBYETJHEJX-NDBYEHHHSA-N 2 0 284.404 -0.167 20 0 CBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125422975 289341453 /nfs/dbraw/zinc/34/14/53/289341453.db2.gz BGXRWMKJECKAMI-RGOKHQFPSA-N 2 0 254.334 -0.371 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000165608084 289353697 /nfs/dbraw/zinc/35/36/97/289353697.db2.gz MKSDRAKMPOJQMT-NWDGAFQWSA-N 2 0 255.362 -0.179 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000331910039 289367516 /nfs/dbraw/zinc/36/75/16/289367516.db2.gz SPLWBHWWRWYPHX-NSHDSACASA-N 2 0 282.388 -0.463 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419835977 289368421 /nfs/dbraw/zinc/36/84/21/289368421.db2.gz BAHCHIPOLCXIGU-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH+](C)[C@H]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000332137464 289385428 /nfs/dbraw/zinc/38/54/28/289385428.db2.gz LLJDNHKYHGDQKJ-NEPJUHHUSA-N 2 0 292.387 -0.021 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000419996914 289474299 /nfs/dbraw/zinc/47/42/99/289474299.db2.gz OCWSSXUDIQXAKR-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000420012797 289545288 /nfs/dbraw/zinc/54/52/88/289545288.db2.gz JUEBIFWOHHQKDQ-WOPDTQHZSA-N 2 0 284.404 -0.171 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000449704711 290061252 /nfs/dbraw/zinc/06/12/52/290061252.db2.gz WMWZMKMJRCAPNK-SYQHCUMBSA-N 2 0 280.416 -0.073 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418364848 290061325 /nfs/dbraw/zinc/06/13/25/290061325.db2.gz HHZHEHSDJWOSIU-VXGBXAGGSA-N 2 0 269.393 -0.669 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)C[C@H]1C ZINC000333841913 290095675 /nfs/dbraw/zinc/09/56/75/290095675.db2.gz OJUBEIFWJLBTFA-AGIUHOORSA-N 2 0 284.404 -0.165 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376060623 293116041 /nfs/dbraw/zinc/11/60/41/293116041.db2.gz AUQMMKGWYJGTFK-JSGCOSHPSA-N 2 0 298.431 -0.413 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CCC[NH2+][C@H]2C)CC[NH2+]C1 ZINC000333349059 293273370 /nfs/dbraw/zinc/27/33/70/293273370.db2.gz JHGPFOTZVJBLGM-GVXVVHGQSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC[NH2+]1 ZINC000423252606 300098201 /nfs/dbraw/zinc/09/82/01/300098201.db2.gz XTXXTRQWPVYKHU-RYUDHWBXSA-N 2 0 282.388 -0.641 20 0 CBADRP [NH3+]CC[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)C(F)(F)F ZINC000581879208 336157119 /nfs/dbraw/zinc/15/71/19/336157119.db2.gz XCOBLZDJCZVTIY-SFYZADRCSA-N 2 0 269.267 -0.239 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444175683 295149580 /nfs/dbraw/zinc/14/95/80/295149580.db2.gz LDVJDLBPWLZUNC-WDEREUQCSA-N 2 0 268.361 -0.948 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC000063179697 295234752 /nfs/dbraw/zinc/23/47/52/295234752.db2.gz CHOUTBHWPIGDEL-JTQLQIEISA-N 2 0 268.361 -0.948 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332082509 295253380 /nfs/dbraw/zinc/25/33/80/295253380.db2.gz BABVXQONUWTHLU-XQQFMLRXSA-N 2 0 294.399 -0.463 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000331677610 295317571 /nfs/dbraw/zinc/31/75/71/295317571.db2.gz RKLNPLHZTMEFAS-GFCCVEGCSA-N 2 0 294.399 -0.367 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000423198956 295317738 /nfs/dbraw/zinc/31/77/38/295317738.db2.gz IUTJXWLBPXWZJS-OLZOCXBDSA-N 2 0 294.399 -0.367 20 0 CBADRP [NH3+][C@H]1CCc2nc(NC(=O)[C@H]3C[NH2+]CCO3)sc2C1 ZINC000343479307 295341862 /nfs/dbraw/zinc/34/18/62/295341862.db2.gz QQSDRRPETNAMDZ-IONNQARKSA-N 2 0 282.369 -0.114 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333695460 297538379 /nfs/dbraw/zinc/53/83/79/297538379.db2.gz QELOOSIXBYPPLH-MJBXVCDLSA-N 2 0 295.431 -0.184 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000420005455 298417752 /nfs/dbraw/zinc/41/77/52/298417752.db2.gz PJFMBCKERPPLFB-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)[NH+]1CCC(C)CC1 ZINC000419165022 298678064 /nfs/dbraw/zinc/67/80/64/298678064.db2.gz ZYHFMHXQZABCFQ-OLZOCXBDSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCC2)C[C@H]1[NH+](C)C ZINC000331520281 300101945 /nfs/dbraw/zinc/10/19/45/300101945.db2.gz CMZGZYFGEWKSFR-WDEREUQCSA-N 2 0 282.388 -0.608 20 0 CBADRP [NH3+]CCN(CCO)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418637651 303380574 /nfs/dbraw/zinc/38/05/74/303380574.db2.gz NUJONYHZTRBGBK-CQSZACIVSA-N 2 0 292.383 -0.164 20 0 CBADRP [NH3+]CCN(CCO)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000417717106 303380956 /nfs/dbraw/zinc/38/09/56/303380956.db2.gz VCGMSOFWUGQGGL-GFCCVEGCSA-N 2 0 284.404 -0.034 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000364475282 303382853 /nfs/dbraw/zinc/38/28/53/303382853.db2.gz BCMBVYFWXNRFJU-QWHCGFSZSA-N 2 0 296.415 -0.168 20 0 CBADRP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000377530881 303470845 /nfs/dbraw/zinc/47/08/45/303470845.db2.gz RTBLXSDJPZQWOL-UPJWGTAASA-N 2 0 266.389 -0.380 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000375956070 303652388 /nfs/dbraw/zinc/65/23/88/303652388.db2.gz ADTFVIBFAAGHIA-STQMWFEESA-N 2 0 298.456 -0.412 20 0 CBADRP O=C(NC1C[NH2+]C1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335397376 303747881 /nfs/dbraw/zinc/74/78/81/303747881.db2.gz VQJUPWYFSKNDBG-MNOVXSKESA-N 2 0 252.362 -0.011 20 0 CBADRP O=C(N[C@@H]1CCCC[NH2+]C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333491116 303837242 /nfs/dbraw/zinc/83/72/42/303837242.db2.gz DIBBPIKKOIGGRK-ZIAGYGMSSA-N 2 0 295.431 -0.182 20 0 CBADRP O=C(N[C@@H]1CCCC[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333735175 303837446 /nfs/dbraw/zinc/83/74/46/303837446.db2.gz WUUJNQWQTSNALK-GRYCIOLGSA-N 2 0 252.362 -0.011 20 0 CBADRP CCC[NH2+]CCNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000570927054 327634892 /nfs/dbraw/zinc/63/48/92/327634892.db2.gz TYTVGJYHQCLCFE-UHFFFAOYSA-N 2 0 268.365 -0.254 20 0 CBADRP CO[C@H](C[NH3+])C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000562977685 327731929 /nfs/dbraw/zinc/73/19/29/327731929.db2.gz GNCAHBKPSPVXCA-GFCCVEGCSA-N 2 0 293.371 -0.254 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000562979078 327732735 /nfs/dbraw/zinc/73/27/35/327732735.db2.gz DNDZYSYCTCEBTD-CHWSQXEVSA-N 2 0 263.341 -0.037 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000567847947 327924376 /nfs/dbraw/zinc/92/43/76/327924376.db2.gz APULTEGYTMFWEG-GRYCIOLGSA-N 2 0 255.362 -0.146 20 0 CBADRP CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000563106614 327924541 /nfs/dbraw/zinc/92/45/41/327924541.db2.gz YLNQRESOIQXYML-LBPRGKRZSA-N 2 0 282.388 -0.545 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000563102292 327924576 /nfs/dbraw/zinc/92/45/76/327924576.db2.gz RKADLFPUODJNHP-QMMMGPOBSA-N 2 0 267.337 -0.992 20 0 CBADRP CC[NH2+]CCCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000563105833 327924797 /nfs/dbraw/zinc/92/47/97/327924797.db2.gz HNJORVWGHBQUID-LLVKDONJSA-N 2 0 280.376 -0.068 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000563106937 327924844 /nfs/dbraw/zinc/92/48/44/327924844.db2.gz XAXJTZLVROJOJC-NSHDSACASA-N 2 0 282.388 -0.571 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000563108435 327924894 /nfs/dbraw/zinc/92/48/94/327924894.db2.gz FGEMYEQAHNVINQ-UWVGGRQHSA-N 2 0 266.349 -0.503 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000567907171 327949238 /nfs/dbraw/zinc/94/92/38/327949238.db2.gz HBHWIAAOMYJMER-LBPRGKRZSA-N 2 0 277.372 -0.170 20 0 CBADRP C[NH2+]C[C@](C)(O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000563271478 328005536 /nfs/dbraw/zinc/00/55/36/328005536.db2.gz TUFUIRZAVGHAOR-HIFRSBDPSA-N 3 0 287.448 -0.019 20 0 CBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000583563498 328612707 /nfs/dbraw/zinc/61/27/07/328612707.db2.gz ATAJCKARQBCWCU-VHSXEESVSA-N 2 0 293.375 -0.459 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)C[NH2+]C(CO)CO)c1ccccc1 ZINC000563360442 328056586 /nfs/dbraw/zinc/05/65/86/328056586.db2.gz KNXCSSCXACHTCZ-CQSZACIVSA-N 2 0 295.383 -0.652 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC000563391519 328060610 /nfs/dbraw/zinc/06/06/10/328060610.db2.gz VIRFJGBDQPPDBX-LBPRGKRZSA-N 2 0 257.378 -0.241 20 0 CBADRP C[NH2+][C@@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1cnn(C)c1 ZINC000563531971 328072201 /nfs/dbraw/zinc/07/22/01/328072201.db2.gz DUZJBMGHJBYZMC-QWHCGFSZSA-N 2 0 295.387 -0.530 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000571083973 328084965 /nfs/dbraw/zinc/08/49/65/328084965.db2.gz XQFMPZGCKJIUGX-NWDGAFQWSA-N 2 0 266.389 -0.604 20 0 CBADRP C[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H](C)CN1C ZINC000571209037 328093280 /nfs/dbraw/zinc/09/32/80/328093280.db2.gz HTVSZISEYMXIRP-STQMWFEESA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000571209036 328093288 /nfs/dbraw/zinc/09/32/88/328093288.db2.gz HTVSZISEYMXIRP-QWHCGFSZSA-N 2 0 268.405 -0.167 20 0 CBADRP COC[C@]1(CNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)CCC[NH2+]1 ZINC000571277147 328096670 /nfs/dbraw/zinc/09/66/70/328096670.db2.gz NBEMHRAMSJSLRB-DMDPSCGWSA-N 2 0 271.361 -0.752 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000571406428 328119499 /nfs/dbraw/zinc/11/94/99/328119499.db2.gz LUBVQWDJXKDDGG-PHIMTYICSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000571464368 328123658 /nfs/dbraw/zinc/12/36/58/328123658.db2.gz XCUYCGHQHIJBNB-WDEREUQCSA-N 2 0 280.376 -0.161 20 0 CBADRP C[C@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000584340476 328127653 /nfs/dbraw/zinc/12/76/53/328127653.db2.gz GEGHIJVUTWKNLL-YPMHNXCESA-N 2 0 283.420 -0.247 20 0 CBADRP C[C@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000161095208 328129309 /nfs/dbraw/zinc/12/93/09/328129309.db2.gz DJWGYCOGJSOVGO-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000571626417 328143119 /nfs/dbraw/zinc/14/31/19/328143119.db2.gz VUCFMVWXHZBAMP-STQMWFEESA-N 2 0 281.404 -0.620 20 0 CBADRP CC[N@H+](CCNC[C@H](O)C[NH+]1CCN(C)CC1)C(C)C ZINC000571634485 328150984 /nfs/dbraw/zinc/15/09/84/328150984.db2.gz TXBMUKFFYFMQKW-HNNXBMFYSA-N 2 0 286.464 -0.085 20 0 CBADRP [NH3+]CC[C@@H]1CCCCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000571642788 328180237 /nfs/dbraw/zinc/18/02/37/328180237.db2.gz HTPYAEYRIRIDGK-STQMWFEESA-N 2 0 296.415 -0.025 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000388787990 328303434 /nfs/dbraw/zinc/30/34/34/328303434.db2.gz NVCIURFNNJKWJK-KGLIPLIRSA-N 2 0 273.421 -0.049 20 0 CBADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000583490203 328304164 /nfs/dbraw/zinc/30/41/64/328304164.db2.gz DAAJNVYZNPMYNZ-GHMZBOCLSA-N 2 0 282.388 -0.547 20 0 CBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NC2C[NH2+]C2)CC1 ZINC000563798963 328519349 /nfs/dbraw/zinc/51/93/49/328519349.db2.gz DALGUJBILOOIDA-LBPRGKRZSA-N 2 0 270.377 -0.650 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CCO1 ZINC000568270895 326988059 /nfs/dbraw/zinc/98/80/59/326988059.db2.gz FSWBBZVPAPIPTF-KBPBESRZSA-N 2 0 275.352 -0.113 20 0 CBADRP CC[NH+]1CCC(CCNC(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000557248882 326998391 /nfs/dbraw/zinc/99/83/91/326998391.db2.gz FABBEDYGMTXUBQ-UHFFFAOYSA-N 2 0 282.388 -0.687 20 0 CBADRP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000584112046 327009583 /nfs/dbraw/zinc/00/95/83/327009583.db2.gz JUMFUYJZJPWOOP-TVQRCGJNSA-N 2 0 291.359 -0.848 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1cnn(C)c1 ZINC000568878732 327022378 /nfs/dbraw/zinc/02/23/78/327022378.db2.gz ZRNVGCZMHSYZSA-WXHSDQCUSA-N 2 0 277.372 -0.109 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)c1cn(CCC[NH3+])nn1 ZINC000584226839 327069040 /nfs/dbraw/zinc/06/90/40/327069040.db2.gz QVVZAOZHIIDUNL-JTQLQIEISA-N 2 0 268.365 -0.270 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000569338112 327075079 /nfs/dbraw/zinc/07/50/79/327075079.db2.gz AEODCUFKICCUSE-VHSXEESVSA-N 2 0 256.350 -0.950 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000564448286 327089295 /nfs/dbraw/zinc/08/92/95/327089295.db2.gz LHZHNCWLIPWLJA-NEPJUHHUSA-N 2 0 282.388 -0.430 20 0 CBADRP CCOCC[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000569340272 327098572 /nfs/dbraw/zinc/09/85/72/327098572.db2.gz FMAUAOHBBDGXLY-OLZOCXBDSA-N 2 0 260.378 -0.180 20 0 CBADRP C[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000564450576 327099505 /nfs/dbraw/zinc/09/95/05/327099505.db2.gz KELXESQTEMAFIQ-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000566066843 327124209 /nfs/dbraw/zinc/12/42/09/327124209.db2.gz PARRFJRLKVVDNC-ZFWWWQNUSA-N 2 0 296.415 -0.881 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000566066841 327124329 /nfs/dbraw/zinc/12/43/29/327124329.db2.gz PARRFJRLKVVDNC-HIFRSBDPSA-N 2 0 296.415 -0.881 20 0 CBADRP COC[C@@]1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000566066842 327124333 /nfs/dbraw/zinc/12/43/33/327124333.db2.gz PARRFJRLKVVDNC-UKRRQHHQSA-N 2 0 296.415 -0.881 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000566102017 327135086 /nfs/dbraw/zinc/13/50/86/327135086.db2.gz FOWDXQKGTQIVBE-ZJUUUORDSA-N 2 0 296.337 -0.206 20 0 CBADRP C[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)Cn1cccn1 ZINC000566105766 327136621 /nfs/dbraw/zinc/13/66/21/327136621.db2.gz WGDMXPCYDQMANV-CABCVRRESA-N 2 0 295.431 -0.283 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000566178603 327157778 /nfs/dbraw/zinc/15/77/78/327157778.db2.gz BDAVUKKBXKWZBO-NEPJUHHUSA-N 2 0 273.377 -0.831 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000569456451 327179748 /nfs/dbraw/zinc/17/97/48/327179748.db2.gz ZJAXLECODBMGNK-DGCLKSJQSA-N 2 0 266.389 -0.367 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000569481229 327183920 /nfs/dbraw/zinc/18/39/20/327183920.db2.gz ARBQNJXUFJQDDZ-SRVKXCTJSA-N 2 0 282.388 -0.560 20 0 CBADRP CSCC[C@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000569482705 327184170 /nfs/dbraw/zinc/18/41/70/327184170.db2.gz QXFBLXREOROIFS-NSHDSACASA-N 2 0 274.434 -0.522 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000569482191 327184245 /nfs/dbraw/zinc/18/42/45/327184245.db2.gz BEJZVHTVJQZNOT-RYUDHWBXSA-N 2 0 285.388 -0.029 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000564938384 327196225 /nfs/dbraw/zinc/19/62/25/327196225.db2.gz URKGNVDEBMDPKN-RWMBFGLXSA-N 2 0 283.420 -0.199 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000564938375 327196257 /nfs/dbraw/zinc/19/62/57/327196257.db2.gz URKGNVDEBMDPKN-AVGNSLFASA-N 2 0 283.420 -0.199 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C3([NH3+])CCCCC3)CCN2C1=O ZINC000572617730 327196415 /nfs/dbraw/zinc/19/64/15/327196415.db2.gz GDWISRMOSZQLHV-GHMZBOCLSA-N 2 0 280.372 -0.582 20 0 CBADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1(C)C ZINC000566214103 327197282 /nfs/dbraw/zinc/19/72/82/327197282.db2.gz SHEPWRQQNLOLIT-ZRDGONRFSA-N 2 0 267.373 -0.147 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000569572859 327199404 /nfs/dbraw/zinc/19/94/04/327199404.db2.gz FOEIRFHLKIPAKG-LBPRGKRZSA-N 2 0 266.389 -0.603 20 0 CBADRP CC[C@H](O)[C@H](CC)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000566232238 327252048 /nfs/dbraw/zinc/25/20/48/327252048.db2.gz ZUNRDPNTVMBVSL-RDBSUJKOSA-N 2 0 273.421 -0.266 20 0 CBADRP O=C(CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC000566242149 327256237 /nfs/dbraw/zinc/25/62/37/327256237.db2.gz GHENHMDMCOJWTH-HNNXBMFYSA-N 3 0 280.416 -0.116 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000577395199 327260216 /nfs/dbraw/zinc/26/02/16/327260216.db2.gz HSBDJKUBMXCAGI-ZDUSSCGKSA-N 3 0 284.404 -0.895 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000573968182 327276196 /nfs/dbraw/zinc/27/61/96/327276196.db2.gz IIJCIZBFFZARKO-GRYCIOLGSA-N 2 0 282.388 -0.430 20 0 CBADRP C[C@@H](C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H](C)[NH3+] ZINC000577841624 327282688 /nfs/dbraw/zinc/28/26/88/327282688.db2.gz ZIIMQCLMTUSXLP-KXUCPTDWSA-N 2 0 296.337 -0.078 20 0 CBADRP CN1CCC[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=O ZINC000560080193 327282790 /nfs/dbraw/zinc/28/27/90/327282790.db2.gz JVLFSAMIGBVSGW-ZDUSSCGKSA-N 2 0 298.431 -0.193 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000583380536 327334304 /nfs/dbraw/zinc/33/43/04/327334304.db2.gz NZGSVWCGURCXMI-LBPRGKRZSA-N 2 0 263.341 -0.001 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000561215551 327376115 /nfs/dbraw/zinc/37/61/15/327376115.db2.gz DFLHGBIZGLGONM-LLVKDONJSA-N 2 0 271.409 -0.212 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000569624355 327386168 /nfs/dbraw/zinc/38/61/68/327386168.db2.gz YIWSWVYGGYTQAS-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@]1(CNC(=O)c2cn(CC[NH3+])nn2)CCC[NH2+]C1 ZINC000566507406 327402549 /nfs/dbraw/zinc/40/25/49/327402549.db2.gz AALIVVCNGNPYDB-LBPRGKRZSA-N 2 0 266.349 -0.644 20 0 CBADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000569692469 327535933 /nfs/dbraw/zinc/53/59/33/327535933.db2.gz BBPGPGIYTGDHLN-WDEREUQCSA-N 2 0 255.362 -0.131 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1 ZINC000582236400 328836665 /nfs/dbraw/zinc/83/66/65/328836665.db2.gz SKQMXKUYNQGKDH-UHFZAUJKSA-N 2 0 253.346 -0.441 20 0 CBADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CNC(=O)C[NH3+] ZINC000563956100 328841823 /nfs/dbraw/zinc/84/18/23/328841823.db2.gz BZYDLFOFRAAQJO-SNVBAGLBSA-N 2 0 270.377 -0.750 20 0 CBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000582239072 328843869 /nfs/dbraw/zinc/84/38/69/328843869.db2.gz KRADBZGBDCCTRU-TUAOUCFPSA-N 2 0 255.362 -0.457 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000571679594 328850580 /nfs/dbraw/zinc/85/05/80/328850580.db2.gz OKINSAXQTNVSJN-BDAKNGLRSA-N 2 0 251.334 -0.046 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000582536657 329108431 /nfs/dbraw/zinc/10/84/31/329108431.db2.gz XJOYAQMBUSNEIK-XQQFMLRXSA-N 2 0 294.399 -0.402 20 0 CBADRP CSC[C@@H](O)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000582601725 329114218 /nfs/dbraw/zinc/11/42/18/329114218.db2.gz UHBGCOKKIMORJE-NEPJUHHUSA-N 2 0 261.435 -0.064 20 0 CBADRP CSC[C@H](O)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000582601732 329114305 /nfs/dbraw/zinc/11/43/05/329114305.db2.gz UHBGCOKKIMORJE-VXGBXAGGSA-N 2 0 261.435 -0.064 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000582607181 329115698 /nfs/dbraw/zinc/11/56/98/329115698.db2.gz YAASLZGXJHBUIP-KBPBESRZSA-N 2 0 275.352 -0.195 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CCC[NH2+]1 ZINC000582665529 329121656 /nfs/dbraw/zinc/12/16/56/329121656.db2.gz JHRMIDDMDPEHHL-QWRGUYRKSA-N 2 0 268.361 -0.887 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C[C@H]1[NH3+] ZINC000582715864 329129566 /nfs/dbraw/zinc/12/95/66/329129566.db2.gz RGSABBIIHNKLOR-LSCVPOLPSA-N 2 0 294.399 -0.467 20 0 CBADRP C[NH+](C)CCCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000582723409 329130903 /nfs/dbraw/zinc/13/09/03/329130903.db2.gz HRMHTZKVSCKHBF-UHFFFAOYSA-N 2 0 254.338 -0.692 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)c1csc(CN)n1 ZINC000582844966 329277596 /nfs/dbraw/zinc/27/75/96/329277596.db2.gz VWNXCWPPGSIDRL-QMMMGPOBSA-N 2 0 269.374 -0.765 20 0 CBADRP C[C@]1(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCC[NH2+]1 ZINC000582849592 329279985 /nfs/dbraw/zinc/27/99/85/329279985.db2.gz SMYOSSNXYPNZMQ-IUODEOHRSA-N 2 0 296.415 -0.168 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000582959422 329289794 /nfs/dbraw/zinc/28/97/94/329289794.db2.gz ZNBGHJONOUPJLM-NSHDSACASA-N 2 0 255.362 -0.131 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000583142554 329321605 /nfs/dbraw/zinc/32/16/05/329321605.db2.gz DJTKFRBLQAAFFM-NTZNESFSSA-N 2 0 252.362 -0.994 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000583142555 329321647 /nfs/dbraw/zinc/32/16/47/329321647.db2.gz DJTKFRBLQAAFFM-WZRBSPASSA-N 2 0 252.362 -0.994 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000583202222 329361543 /nfs/dbraw/zinc/36/15/43/329361543.db2.gz HNLOKANVYCQAHC-UTUOFQBUSA-N 2 0 253.346 -0.425 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000583264193 329405752 /nfs/dbraw/zinc/40/57/52/329405752.db2.gz GOQOLLZBQOMIKC-BDAKNGLRSA-N 2 0 259.350 -0.244 20 0 CBADRP CC(C)C[C@H]([NH3+])CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000583764176 329476184 /nfs/dbraw/zinc/47/61/84/329476184.db2.gz ZHGXCUCTXTZNCM-TUAOUCFPSA-N 2 0 254.378 -0.396 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H](C)CCC[NH3+])CC1 ZINC000584472578 329494225 /nfs/dbraw/zinc/49/42/25/329494225.db2.gz VJIYCBZXTDAHPD-GFCCVEGCSA-N 2 0 256.394 -0.133 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)CCC3CC[NH2+]CC3)CCN2C1=O ZINC000584480898 329500168 /nfs/dbraw/zinc/50/01/68/329500168.db2.gz SCPKJQDPUMXZRH-CHWSQXEVSA-N 2 0 294.399 -0.463 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000584530791 329514223 /nfs/dbraw/zinc/51/42/23/329514223.db2.gz IGLJPTOEZDKMIF-GARJFASQSA-N 2 0 269.345 -0.523 20 0 CBADRP O=C(CN1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1)NC1CC1 ZINC000583874933 329524069 /nfs/dbraw/zinc/52/40/69/329524069.db2.gz PXEZEMPXNHIOPJ-ZDUSSCGKSA-N 2 0 280.416 -0.118 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000564086423 329668851 /nfs/dbraw/zinc/66/88/51/329668851.db2.gz YPOXEZZGFYOCTF-ZJUUUORDSA-N 2 0 257.334 -0.393 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000572003174 329936481 /nfs/dbraw/zinc/93/64/81/329936481.db2.gz QGLXMEBDJRBZCP-LLVKDONJSA-N 2 0 255.362 -0.169 20 0 CBADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000572406117 330064040 /nfs/dbraw/zinc/06/40/40/330064040.db2.gz FFSKWLKSCMFHDY-WDEREUQCSA-N 2 0 284.404 -0.266 20 0 CBADRP CN(C)C(=O)NCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000574989833 330123111 /nfs/dbraw/zinc/12/31/11/330123111.db2.gz UJOOBMYGMFLVMI-UHFFFAOYSA-N 2 0 257.382 -0.905 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C[C@@H]3CCCC[C@@H]3[NH3+])CCN2C1=O ZINC000575762805 335113270 /nfs/dbraw/zinc/11/32/70/335113270.db2.gz GWSRDKQZPUQWNY-QNWHQSFQSA-N 2 0 294.399 -0.336 20 0 CBADRP C[C@@H]([NH3+])C1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000566199212 334635121 /nfs/dbraw/zinc/63/51/21/334635121.db2.gz TZGNWVRQKFDFNX-PWSUYJOCSA-N 2 0 282.388 -0.560 20 0 CBADRP CC[NH+]1CCN(CC(=O)NCC2CC[NH2+]CC2)CC1 ZINC000568751605 334839061 /nfs/dbraw/zinc/83/90/61/334839061.db2.gz GPKVKAVGUKQFLY-UHFFFAOYSA-N 2 0 268.405 -0.260 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000575814424 335118596 /nfs/dbraw/zinc/11/85/96/335118596.db2.gz MQBCTXPILMPBHS-DGCLKSJQSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@]1(CNC(=O)c2cn(CCC[NH3+])nn2)CCC[NH2+]C1 ZINC000567581127 333115122 /nfs/dbraw/zinc/11/51/22/333115122.db2.gz XJXFJZSCYYVLFV-ZDUSSCGKSA-N 2 0 280.376 -0.254 20 0 CBADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000572520483 333115242 /nfs/dbraw/zinc/11/52/42/333115242.db2.gz NDAMKWXBXGYQLG-KBPBESRZSA-N 2 0 299.415 -0.034 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NCCC[NH2+]C2CC2)nn1 ZINC000572525564 333185304 /nfs/dbraw/zinc/18/53/04/333185304.db2.gz NDTMEESXFHBMGH-UHFFFAOYSA-N 2 0 266.349 -0.501 20 0 CBADRP COC[C@]1(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC[NH2+]C1 ZINC000575915690 335130455 /nfs/dbraw/zinc/13/04/55/335130455.db2.gz LCVQIAAIZBNZLW-GVXVVHGQSA-N 2 0 255.362 -0.192 20 0 CBADRP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000575973683 335136684 /nfs/dbraw/zinc/13/66/84/335136684.db2.gz JWIMJEIRJBKOPP-ZDUSSCGKSA-N 2 0 298.431 -0.066 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000575986448 335138444 /nfs/dbraw/zinc/13/84/44/335138444.db2.gz FMLAKFQAGGAITH-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[N@H+](C)CCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000576035715 335143917 /nfs/dbraw/zinc/14/39/17/335143917.db2.gz VSADMHHEMKXPOG-LLVKDONJSA-N 2 0 280.376 -0.288 20 0 CBADRP CCOCCCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000576133490 335158878 /nfs/dbraw/zinc/15/88/78/335158878.db2.gz INAGZYUHIQGVLK-LLVKDONJSA-N 2 0 258.366 -0.303 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@@H]([NH2+]C2(CO)CCCC2)C1=O ZINC000576237214 335175604 /nfs/dbraw/zinc/17/56/04/335175604.db2.gz GRNDNIDSMFABRU-LLVKDONJSA-N 2 0 283.372 -0.430 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@H]([NH2+]C2(CO)CCCC2)C1=O ZINC000576237215 335175679 /nfs/dbraw/zinc/17/56/79/335175679.db2.gz GRNDNIDSMFABRU-NSHDSACASA-N 2 0 283.372 -0.430 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000564334188 334128820 /nfs/dbraw/zinc/12/88/20/334128820.db2.gz CVHUVENFZBXONW-SDDRHHMPSA-N 2 0 284.404 -0.362 20 0 CBADRP CCN(C)C[C@@H](O)C[N@@H+]1CC[C@](C)(C(=O)NC)C1 ZINC000564341243 334141419 /nfs/dbraw/zinc/14/14/19/334141419.db2.gz AAYFKRKLEDECJO-YPMHNXCESA-N 2 0 257.378 -0.243 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1C[C@@H](OC)[C@@H](OC)C1 ZINC000311451736 334219409 /nfs/dbraw/zinc/21/94/09/334219409.db2.gz JJUWWLAPZBXLDG-UPJWGTAASA-N 2 0 276.377 -0.729 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000575882802 334237966 /nfs/dbraw/zinc/23/79/66/334237966.db2.gz AJPJGNXTKUXONH-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP Cn1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn1 ZINC000554777733 334451992 /nfs/dbraw/zinc/45/19/92/334451992.db2.gz YTWISIPNLPUFIV-UHFFFAOYSA-N 2 0 268.365 -0.620 20 0 CBADRP COC[C@@]1(C(=O)NCC[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000564941272 334529604 /nfs/dbraw/zinc/52/96/04/334529604.db2.gz JCCPFSXYSDULFD-DGCLKSJQSA-N 2 0 255.362 -0.272 20 0 CBADRP Nc1cc[nH+]cc1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000564980703 334531768 /nfs/dbraw/zinc/53/17/68/334531768.db2.gz BYOCAPRIXYKVFE-JTQLQIEISA-N 2 0 291.355 -0.579 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000564983391 334532140 /nfs/dbraw/zinc/53/21/40/334532140.db2.gz WYCLAQPBEATLJI-XQQFMLRXSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H](NC(=O)C(=O)N(C)CCC[NH3+])C(C)(C)C[NH+](C)C ZINC000565547926 334573555 /nfs/dbraw/zinc/57/35/55/334573555.db2.gz CZDKNMPMIHAKAV-NSHDSACASA-N 2 0 286.420 -0.114 20 0 CBADRP [NH3+]CC[C@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)C(F)F ZINC000565891039 334606615 /nfs/dbraw/zinc/60/66/15/334606615.db2.gz HHMIPCPPXOBQIJ-IUCAKERBSA-N 2 0 265.304 -0.146 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000565950914 334611229 /nfs/dbraw/zinc/61/12/29/334611229.db2.gz ANOQWJRBBGVDGA-AAEUAGOBSA-N 2 0 267.373 -0.035 20 0 CBADRP COC[C@]1(C(=O)NCC2=CC[NH2+]CC2)CC[NH2+]C1 ZINC000566099088 334622211 /nfs/dbraw/zinc/62/22/11/334622211.db2.gz HBRFPMOXJWUHOA-ZDUSSCGKSA-N 2 0 253.346 -0.352 20 0 CBADRP CO[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000566099092 334622213 /nfs/dbraw/zinc/62/22/13/334622213.db2.gz HJCSCFKLVATERF-IJLUTSLNSA-N 2 0 255.362 -0.049 20 0 CBADRP COCC[C@@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000566109972 334623751 /nfs/dbraw/zinc/62/37/51/334623751.db2.gz VNVYPFGBXKUXMZ-OLZOCXBDSA-N 2 0 259.394 -0.391 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC000566203918 334635407 /nfs/dbraw/zinc/63/54/07/334635407.db2.gz XBZQJAYXSVJUBW-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CCC[C@@H](CO)C2)CC1 ZINC000566231966 334637292 /nfs/dbraw/zinc/63/72/92/334637292.db2.gz WMIBVRXPIGSWSJ-XHSDSOJGSA-N 2 0 299.459 -0.017 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000566247093 334638567 /nfs/dbraw/zinc/63/85/67/334638567.db2.gz RCRAKCMYEOJWTN-WCQYABFASA-N 2 0 272.393 -0.425 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)NCCCN1CC[NH2+]CC1 ZINC000566551554 334654964 /nfs/dbraw/zinc/65/49/64/334654964.db2.gz OWHZEDVWTWZEEH-UHFFFAOYSA-N 2 0 285.436 -0.031 20 0 CBADRP C[NH2+]CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000566677942 334660130 /nfs/dbraw/zinc/66/01/30/334660130.db2.gz ZSXFIONCWIVTPF-MRVPVSSYSA-N 2 0 268.283 -0.842 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000566858954 334667334 /nfs/dbraw/zinc/66/73/34/334667334.db2.gz JEXURISTIXVKFE-UTLUCORTSA-N 2 0 257.334 -0.524 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC000566974080 334671594 /nfs/dbraw/zinc/67/15/94/334671594.db2.gz VHSBNBXBJDHQHY-JSGCOSHPSA-N 2 0 266.389 -0.365 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000567250421 334697764 /nfs/dbraw/zinc/69/77/64/334697764.db2.gz KJUMUBKPGNTQIZ-NWDGAFQWSA-N 2 0 267.377 -0.963 20 0 CBADRP Cn1cnc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000567527625 334728763 /nfs/dbraw/zinc/72/87/63/334728763.db2.gz PQCKVLBKENLGKX-UHFFFAOYSA-N 2 0 268.365 -0.620 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)C[C@H]2CSCC[NH2+]2)CCCO1 ZINC000567732819 334756334 /nfs/dbraw/zinc/75/63/34/334756334.db2.gz WVJSTSKKIBEBNX-QWRGUYRKSA-N 2 0 273.402 -0.342 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000567817173 334763958 /nfs/dbraw/zinc/76/39/58/334763958.db2.gz WGXWCIBSUQBAJG-IHRRRGAJSA-N 2 0 280.416 -0.119 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000567822128 334764418 /nfs/dbraw/zinc/76/44/18/334764418.db2.gz YBHPJFOBXJQWAZ-AVGNSLFASA-N 2 0 283.420 -0.199 20 0 CBADRP [NH3+]Cc1ccc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000567839111 334766715 /nfs/dbraw/zinc/76/67/15/334766715.db2.gz ZFBHMQFDGRREKC-LBPRGKRZSA-N 2 0 276.340 -0.048 20 0 CBADRP CC1(CNC(=O)C[C@H]2C[NH2+]CCO2)CC[NH2+]CC1 ZINC000567839077 334766752 /nfs/dbraw/zinc/76/67/52/334766752.db2.gz VMPJDGGVCWFOLB-NSHDSACASA-N 2 0 255.362 -0.129 20 0 CBADRP [NH3+]CC1(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CCCC1 ZINC000568264935 334810368 /nfs/dbraw/zinc/81/03/68/334810368.db2.gz HRNQAPPRKPLROB-GHMZBOCLSA-N 2 0 280.372 -0.724 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000568609808 334832425 /nfs/dbraw/zinc/83/24/25/334832425.db2.gz QKRBVQKKOMXKOQ-ZFWWWQNUSA-N 2 0 288.395 -0.107 20 0 CBADRP CO[C@@H]1CC[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000568619709 334832722 /nfs/dbraw/zinc/83/27/22/334832722.db2.gz FYVXSCZBCSPAOZ-BFHYXJOUSA-N 2 0 271.405 -0.248 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000569205151 334861021 /nfs/dbraw/zinc/86/10/21/334861021.db2.gz KJORMJSJXHAWCK-NSHDSACASA-N 2 0 272.393 -0.504 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569225422 334862209 /nfs/dbraw/zinc/86/22/09/334862209.db2.gz NDPDUEIRABDRFX-AAEUAGOBSA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH2+][C@@H](C)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000573106418 334908896 /nfs/dbraw/zinc/90/88/96/334908896.db2.gz KJZQTGKHCGWDDJ-NWDGAFQWSA-N 2 0 257.378 -0.197 20 0 CBADRP C[NH2+][C@@H](C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000576360231 335194628 /nfs/dbraw/zinc/19/46/28/335194628.db2.gz NMFSGLMFSURCEA-NEPJUHHUSA-N 2 0 256.394 -0.406 20 0 CBADRP C1C[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]([C@H]2COCC[NH2+]2)C1 ZINC000576399514 335198923 /nfs/dbraw/zinc/19/89/23/335198923.db2.gz MUEVPHQCOWDXRZ-BSCCGWMCSA-N 3 0 251.374 -0.049 20 0 CBADRP C[C@@H](CN(C)C)[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000576459644 335206109 /nfs/dbraw/zinc/20/61/09/335206109.db2.gz IVIIIDUQQHUVCC-IGQOVBAYSA-N 2 0 273.421 -0.004 20 0 CBADRP [NH3+]CCC1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000576644694 335230227 /nfs/dbraw/zinc/23/02/27/335230227.db2.gz QCXHKTGVLJNPBZ-GFCCVEGCSA-N 2 0 282.388 -0.558 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CCOC)CC1 ZINC000576644840 335230315 /nfs/dbraw/zinc/23/03/15/335230315.db2.gz MFOVVFCVXKNLIU-ZDUSSCGKSA-N 2 0 259.394 -0.437 20 0 CBADRP C[C@@]1(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000576703815 335237137 /nfs/dbraw/zinc/23/71/37/335237137.db2.gz RQYYDXHCSFPXKX-UONOGXRCSA-N 2 0 252.406 -0.035 20 0 CBADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000576730354 335240932 /nfs/dbraw/zinc/24/09/32/335240932.db2.gz YFGQKAQYOXEHIG-AWEZNQCLSA-N 2 0 297.447 -0.127 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000576808052 335249718 /nfs/dbraw/zinc/24/97/18/335249718.db2.gz FUCHGAGEGHJFRM-BETUJISGSA-N 2 0 281.404 -0.573 20 0 CBADRP CN(CC1CC1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000576838654 335254634 /nfs/dbraw/zinc/25/46/34/335254634.db2.gz BYAFPTYYOAQUAQ-UHFFFAOYSA-N 2 0 298.431 -0.193 20 0 CBADRP C[NH2+]C[C@](C)(O)CN1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000576999354 335275906 /nfs/dbraw/zinc/27/59/06/335275906.db2.gz WDCSSRUBPVJAHR-GWCFXTLKSA-N 2 0 297.359 -0.718 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000580566433 335282816 /nfs/dbraw/zinc/28/28/16/335282816.db2.gz SWMTUDPCOUNILD-AAEUAGOBSA-N 2 0 254.378 -0.604 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000580566436 335282943 /nfs/dbraw/zinc/28/29/43/335282943.db2.gz SWMTUDPCOUNILD-YPMHNXCESA-N 2 0 254.378 -0.604 20 0 CBADRP CC[NH2+]Cc1cccc(NC(=O)CNC(=O)C[NH3+])c1 ZINC000577062697 335293922 /nfs/dbraw/zinc/29/39/22/335293922.db2.gz NBGVYAFJIFKSKT-UHFFFAOYSA-N 2 0 264.329 -0.191 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@@H]1N1CCOCC1 ZINC000577066103 335294440 /nfs/dbraw/zinc/29/44/40/335294440.db2.gz JKKGUEAJZMBQEP-CXTNEJHOSA-N 2 0 279.384 -0.083 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000577176335 335316305 /nfs/dbraw/zinc/31/63/05/335316305.db2.gz MJWAIYVULUUPEV-GHMZBOCLSA-N 2 0 278.360 -0.488 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000577222866 335325600 /nfs/dbraw/zinc/32/56/00/335325600.db2.gz UEHFIRHJKHJQOE-SNVBAGLBSA-N 2 0 264.329 -0.053 20 0 CBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000577374860 335344350 /nfs/dbraw/zinc/34/43/50/335344350.db2.gz HRIMYHYBUZBKJB-VHSXEESVSA-N 2 0 268.361 -0.889 20 0 CBADRP CC(C)[C@H](CNC(=O)N[C@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000577389721 335347050 /nfs/dbraw/zinc/34/70/50/335347050.db2.gz NIQDJYXIHVLPNH-KBPBESRZSA-N 2 0 297.447 -0.081 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000577487965 335357786 /nfs/dbraw/zinc/35/77/86/335357786.db2.gz LRTQECYGBDGJMK-CYBMUJFWSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)N1CC[NH+](C)CC1 ZINC000577489823 335358305 /nfs/dbraw/zinc/35/83/05/335358305.db2.gz ZGGIVRKDHLMIBP-RWMBFGLXSA-N 2 0 268.405 -0.264 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000577493895 335358959 /nfs/dbraw/zinc/35/89/59/335358959.db2.gz HDLVLJVTDFRXQE-QNWHQSFQSA-N 2 0 283.372 -0.705 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000577507758 335361995 /nfs/dbraw/zinc/36/19/95/335361995.db2.gz UEMPPAARCLPFHR-RYUDHWBXSA-N 2 0 283.372 -0.275 20 0 CBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)CCC[NH3+])CC1 ZINC000577607485 335377279 /nfs/dbraw/zinc/37/72/79/335377279.db2.gz SAUBXALNABHOHI-LBPRGKRZSA-N 2 0 257.378 -0.066 20 0 CBADRP C[C@H](CNC(=O)[C@@H](C)[NH2+]C1CC1)N1CC[NH+](C)CC1 ZINC000577726782 335392700 /nfs/dbraw/zinc/39/27/00/335392700.db2.gz GSKSZOBTWKECAO-VXGBXAGGSA-N 2 0 268.405 -0.121 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](C2CC2)[NH+](C)C)C1 ZINC000577727352 335393089 /nfs/dbraw/zinc/39/30/89/335393089.db2.gz FNMWHMHPXXBVLB-QJPTWQEYSA-N 2 0 255.362 -0.180 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)C(F)(F)F ZINC000577728718 335393405 /nfs/dbraw/zinc/39/34/05/335393405.db2.gz PHZCCZZPKYGTOU-HTQZYQBOSA-N 2 0 269.267 -0.239 20 0 CBADRP COCC[NH2+]CC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000577749102 335396959 /nfs/dbraw/zinc/39/69/59/335396959.db2.gz LBJKQTZQVPTYDK-UHFFFAOYSA-N 2 0 286.420 -0.682 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000577751528 335397605 /nfs/dbraw/zinc/39/76/05/335397605.db2.gz JIZWKRPQLUUPGZ-SRVKXCTJSA-N 2 0 284.404 -0.219 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000577948280 335433243 /nfs/dbraw/zinc/43/32/43/335433243.db2.gz VLNYRZMCLUSADG-CRWXNKLISA-N 2 0 253.390 -0.017 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000577953201 335436862 /nfs/dbraw/zinc/43/68/62/335436862.db2.gz UTQLVOUHWQAALH-GWCFXTLKSA-N 2 0 284.404 -0.328 20 0 CBADRP COCC1(CNC(=O)CCOC2C[NH2+]C2)CC[NH2+]CC1 ZINC000578186368 335548108 /nfs/dbraw/zinc/54/81/08/335548108.db2.gz IVFMUMZVGHJZPK-UHFFFAOYSA-N 2 0 285.388 -0.503 20 0 CBADRP Nc1cc[nH+]cc1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000578194137 335552553 /nfs/dbraw/zinc/55/25/53/335552553.db2.gz LLLZCCUDWDUZME-NSHDSACASA-N 2 0 275.356 -0.386 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@]3(CC[NH2+]C3)C2)O1 ZINC000578354258 335618700 /nfs/dbraw/zinc/61/87/00/335618700.db2.gz VHSDXIHXHPCQMQ-MDZLAQPJSA-N 2 0 253.346 -0.295 20 0 CBADRP C[C@@H](NC(=O)C[NH2+]C1CC1)C(=O)NCC[NH+]1CCCCC1 ZINC000578441151 335634614 /nfs/dbraw/zinc/63/46/14/335634614.db2.gz ATVHKHRISONWGB-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000578442548 335634985 /nfs/dbraw/zinc/63/49/85/335634985.db2.gz XGZZAYIXXQQEFO-OLZOCXBDSA-N 2 0 293.371 -0.474 20 0 CBADRP C[C@H](CCCC[NH3+])NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000578454284 335637453 /nfs/dbraw/zinc/63/74/53/335637453.db2.gz VSYARZLHBSRSSU-IJLUTSLNSA-N 2 0 297.403 -0.543 20 0 CBADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000578551967 335648835 /nfs/dbraw/zinc/64/88/35/335648835.db2.gz UBLNXDRFEPPEFZ-AAEUAGOBSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC[NH2+]1 ZINC000578649829 335659423 /nfs/dbraw/zinc/65/94/23/335659423.db2.gz NSTSDCPAAJZBCF-GRYCIOLGSA-N 2 0 292.387 -0.100 20 0 CBADRP C[C@@]1(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000579005811 335699594 /nfs/dbraw/zinc/69/95/94/335699594.db2.gz RDFYOUYLJHXKRI-BXUZGUMPSA-N 2 0 282.388 -0.640 20 0 CBADRP COCC1(CNC(=O)C2(C)C[NH2+]C2)CC[NH2+]CC1 ZINC000579101294 335708767 /nfs/dbraw/zinc/70/87/67/335708767.db2.gz CDBIXTZJFDGPNV-UHFFFAOYSA-N 2 0 255.362 -0.272 20 0 CBADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000579252863 335728451 /nfs/dbraw/zinc/72/84/51/335728451.db2.gz GOEKERHVEMNNAA-BLTAXRJOSA-N 2 0 294.399 -0.336 20 0 CBADRP [NH3+][C@@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C1CC1 ZINC000579835054 335901615 /nfs/dbraw/zinc/90/16/15/335901615.db2.gz BHBNHGKSPZJKAK-QWRGUYRKSA-N 2 0 278.360 -0.503 20 0 CBADRP CCC[NH2+]CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000579835255 335901795 /nfs/dbraw/zinc/90/17/95/335901795.db2.gz OCLJDCUCGHFNBR-UHFFFAOYSA-N 2 0 254.338 -0.644 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000193689286 335983872 /nfs/dbraw/zinc/98/38/72/335983872.db2.gz YGNJHDXWORWCOW-CHWSQXEVSA-N 2 0 296.415 -0.168 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000580951113 335987789 /nfs/dbraw/zinc/98/77/89/335987789.db2.gz VCYMOSMSZSWAQW-AAEUAGOBSA-N 2 0 255.362 -0.320 20 0 CBADRP C[C@@]1(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000581190538 336021847 /nfs/dbraw/zinc/02/18/47/336021847.db2.gz SAALBCTZTQOEJU-SWLSCSKDSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C)N1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000581191308 336021901 /nfs/dbraw/zinc/02/19/01/336021901.db2.gz WAWQGOVTUNRAMW-FRRDWIJNSA-N 2 0 268.405 -0.134 20 0 CBADRP CN1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000581241204 336029652 /nfs/dbraw/zinc/02/96/52/336029652.db2.gz NZNDKLWZFBQDKN-AGIUHOORSA-N 2 0 283.420 -0.212 20 0 CBADRP CN1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000581241207 336029682 /nfs/dbraw/zinc/02/96/82/336029682.db2.gz NZNDKLWZFBQDKN-UPJWGTAASA-N 2 0 283.420 -0.212 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CCC(O)(C(=O)OC)CC1 ZINC000581258613 336033421 /nfs/dbraw/zinc/03/34/21/336033421.db2.gz GAFSJRAGSGOUGW-NSHDSACASA-N 2 0 274.361 -0.701 20 0 CBADRP CN1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)[C@@H](C[NH3+])C1 ZINC000581300013 336041439 /nfs/dbraw/zinc/04/14/39/336041439.db2.gz FBEQERHLQFBRKD-UONOGXRCSA-N 2 0 291.399 -0.029 20 0 CBADRP [NH3+]C[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)C1CCCC1 ZINC000581309814 336045421 /nfs/dbraw/zinc/04/54/21/336045421.db2.gz SBRRFBCXTQORJM-RYUDHWBXSA-N 2 0 255.362 -0.001 20 0 CBADRP COC(=O)CCNC(=O)CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000581311151 336045876 /nfs/dbraw/zinc/04/58/76/336045876.db2.gz IYKPEIIOXQUSTQ-MNOVXSKESA-N 2 0 269.345 -0.793 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000581368534 336062508 /nfs/dbraw/zinc/06/25/08/336062508.db2.gz OERSCJLZODMYRQ-MNOVXSKESA-N 2 0 280.376 -0.385 20 0 CBADRP C[C@]1(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CCCC[NH2+]1 ZINC000581381124 336065772 /nfs/dbraw/zinc/06/57/72/336065772.db2.gz RAPVUFLIKLNUQC-MISXGVKJSA-N 2 0 280.372 -0.711 20 0 CBADRP [NH3+]C[C@@H](NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1)C1CC1 ZINC000581419704 336074152 /nfs/dbraw/zinc/07/41/52/336074152.db2.gz LZUUGZQVCGVIEB-CHWSQXEVSA-N 2 0 294.399 -0.463 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000581546941 336099810 /nfs/dbraw/zinc/09/98/10/336099810.db2.gz PKVWJPWLTAEYCI-GHMZBOCLSA-N 2 0 260.382 -0.274 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000581546944 336099833 /nfs/dbraw/zinc/09/98/33/336099833.db2.gz PKVWJPWLTAEYCI-WDEREUQCSA-N 2 0 260.382 -0.274 20 0 CBADRP CN1CC[C@H]([N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1=O ZINC000581608407 336111799 /nfs/dbraw/zinc/11/17/99/336111799.db2.gz CPDNKKAZLWVLGM-RYUDHWBXSA-N 2 0 267.373 -0.096 20 0 CBADRP [NH3+][C@H](CC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000581823630 336147688 /nfs/dbraw/zinc/14/76/88/336147688.db2.gz SLZVZDOMPDCARS-CYBMUJFWSA-N 2 0 290.367 -0.376 20 0 CBADRP C[C@H]1CCC[C@](CNC(=O)C(=O)NC2C[NH2+]C2)([NH+](C)C)C1 ZINC000581874597 336156320 /nfs/dbraw/zinc/15/63/20/336156320.db2.gz TYDVZTAPFXVEBB-NHYWBVRUSA-N 2 0 296.415 -0.299 20 0 CBADRP CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CC([NH3+])C1 ZINC000581883534 336159010 /nfs/dbraw/zinc/15/90/10/336159010.db2.gz LJMPNUXWHKUBGY-ILDUYXDCSA-N 2 0 268.361 -0.807 20 0 CBADRP CS(=O)(=O)NCC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000581944103 336174040 /nfs/dbraw/zinc/17/40/40/336174040.db2.gz QQQDTSQQYLLGEB-NEPJUHHUSA-N 2 0 291.417 -0.636 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581944081 336174132 /nfs/dbraw/zinc/17/41/32/336174132.db2.gz PILRXDGHJBESNY-CYBMUJFWSA-N 2 0 268.361 -0.092 20 0 CBADRP CCCN(C)S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000120321112 517576200 /nfs/dbraw/zinc/57/62/00/517576200.db2.gz MIPGSXKHVOATFD-UHFFFAOYSA-N 2 0 294.465 -0.002 20 0 CBADRP O=C(N1CC[NH+](C[C@H]2CCOC2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000378202986 534765447 /nfs/dbraw/zinc/76/54/47/534765447.db2.gz PLNLXTDOQZRKAG-OCCSQVGLSA-N 2 0 285.363 -0.131 20 0 CBADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000377807023 528815044 /nfs/dbraw/zinc/81/50/44/528815044.db2.gz MPSUOIKXPIZJBG-KGLIPLIRSA-N 2 0 282.432 -0.016 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000376696776 529150665 /nfs/dbraw/zinc/15/06/65/529150665.db2.gz ZITNKTPHUQCFES-GXTWGEPZSA-N 2 0 286.395 -0.170 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000370191621 535701883 /nfs/dbraw/zinc/70/18/83/535701883.db2.gz DMTIYZBTTOVLKY-CYBMUJFWSA-N 2 0 272.368 -0.558 20 0 CBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000236884532 535716241 /nfs/dbraw/zinc/71/62/41/535716241.db2.gz LMSLUGXWRHVLFJ-KGLIPLIRSA-N 2 0 282.432 -0.014 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C1CC1 ZINC000356290739 535844159 /nfs/dbraw/zinc/84/41/59/535844159.db2.gz DERJFSTZCBOPDJ-AWEZNQCLSA-N 2 0 280.416 -0.071 20 0 CBADRP CC[C@@]1(C(=O)NCCCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000362163742 536024314 /nfs/dbraw/zinc/02/43/14/536024314.db2.gz UDZHFKMBJHFTLH-CQSZACIVSA-N 2 0 268.405 -0.212 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000187985275 536740419 /nfs/dbraw/zinc/74/04/19/536740419.db2.gz FTDBNIRSRTZNLH-WDEREUQCSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@@H](C(N)=O)[NH+](C)CCCC[N@@H+](C)[C@@H](C)C(N)=O ZINC000118401454 582117359 /nfs/dbraw/zinc/11/73/59/582117359.db2.gz PETZVIUIXWLHPV-UWVGGRQHSA-N 2 0 258.366 -0.622 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000729529203 582146884 /nfs/dbraw/zinc/14/68/84/582146884.db2.gz NELNDSSBZZSGNL-RWMBFGLXSA-N 2 0 267.373 -0.083 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=S)NCC[NH+](C)C)C1 ZINC000730733251 582151179 /nfs/dbraw/zinc/15/11/79/582151179.db2.gz IUAMQSXYPWFVRT-LLVKDONJSA-N 2 0 274.434 -0.267 20 0 CBADRP O=C(NCC[NH+]1CCC1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000752666711 582295382 /nfs/dbraw/zinc/29/53/82/582295382.db2.gz IWDMVSYMUOSEII-OLZOCXBDSA-N 2 0 282.388 -0.146 20 0 CBADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000788480040 582386215 /nfs/dbraw/zinc/38/62/15/582386215.db2.gz GNTVKGFUKSHSAC-LBPRGKRZSA-N 2 0 275.418 -0.048 20 0 CBADRP CON(C)C(=O)CC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000808742134 582444143 /nfs/dbraw/zinc/44/41/43/582444143.db2.gz IYIUJQIKYXOZSX-UHFFFAOYSA-N 2 0 286.420 -0.034 20 0 CBADRP CN(C)CC[N@H+](C)CCCNC(=S)NCC[NH+](C)C ZINC000809160887 582445195 /nfs/dbraw/zinc/44/51/95/582445195.db2.gz HDDNTIVVKAEQSC-UHFFFAOYSA-N 2 0 289.493 -0.104 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC000815439632 582465651 /nfs/dbraw/zinc/46/56/51/582465651.db2.gz YTOWIKKLDMJJHB-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP CC[NH2+]CC(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000818582681 582512238 /nfs/dbraw/zinc/51/22/38/582512238.db2.gz SLRYGNYGJFHVLL-UHFFFAOYSA-N 2 0 264.329 -0.077 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC[NH2+]C1 ZINC000818612800 582512985 /nfs/dbraw/zinc/51/29/85/582512985.db2.gz YJGGMHQYCREHEO-UONOGXRCSA-N 2 0 267.373 -0.033 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2COC(C)(C)O2)CC1 ZINC000819153730 582527787 /nfs/dbraw/zinc/52/77/87/582527787.db2.gz CZTXXSFIHFGCPF-QWHCGFSZSA-N 2 0 287.404 -0.664 20 0 CBADRP C[C@H](C(=O)NC[C@H]1CCCN1C(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000821126102 582593750 /nfs/dbraw/zinc/59/37/50/582593750.db2.gz XHPQTCQWNOLXDK-JHJVBQTASA-N 2 0 298.431 -0.006 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000824020952 582685495 /nfs/dbraw/zinc/68/54/95/582685495.db2.gz DMKXJYKOGCTPQD-GFCCVEGCSA-N 2 0 253.346 -0.640 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000827004566 582797159 /nfs/dbraw/zinc/79/71/59/582797159.db2.gz KXJPEVPOTBEUDX-CQSZACIVSA-N 2 0 286.395 -0.168 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000828357938 582853825 /nfs/dbraw/zinc/85/38/25/582853825.db2.gz GNDDQCOUVSGZIK-CHWSQXEVSA-N 2 0 296.415 -0.183 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC2)C1 ZINC000829715556 582895895 /nfs/dbraw/zinc/89/58/95/582895895.db2.gz OTKAFWIGWYMRBK-UPJWGTAASA-N 2 0 266.389 -0.428 20 0 CBADRP C[C@H](CNC(=O)C[C@H]([NH3+])C1CC1)N1CC[NH+](C)CC1 ZINC000829918602 582906377 /nfs/dbraw/zinc/90/63/77/582906377.db2.gz TUIZCNXIZCGXRH-YPMHNXCESA-N 2 0 268.405 -0.134 20 0 CBADRP C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@H+]1C ZINC000830134285 582921377 /nfs/dbraw/zinc/92/13/77/582921377.db2.gz COZKIEBPSBKVIY-LPWJVIDDSA-N 2 0 294.399 -0.737 20 0 CBADRP CN1CCN(C(=O)NCCCCCC[NH3+])[C@H](C[NH3+])C1 ZINC000831291403 582974749 /nfs/dbraw/zinc/97/47/49/582974749.db2.gz MWPUZDCPPWOFTL-GFCCVEGCSA-N 2 0 271.409 -0.210 20 0 CBADRP CCO[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)C[NH+](C)C ZINC000831703045 582995860 /nfs/dbraw/zinc/99/58/60/582995860.db2.gz PPXUQLSVHQRYLN-YRGRVCCFSA-N 2 0 287.404 -0.476 20 0 CBADRP CC[NH2+]CCCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000832383571 583022940 /nfs/dbraw/zinc/02/29/40/583022940.db2.gz WOWVXLVPIHUMBC-UHFFFAOYSA-N 2 0 251.334 -0.215 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000834448550 583123303 /nfs/dbraw/zinc/12/33/03/583123303.db2.gz QWQUPFYINUZABB-UHFFFAOYSA-N 2 0 255.362 -0.176 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)c1[nH]nc2c1C[NH2+]CC2 ZINC000834862681 583138035 /nfs/dbraw/zinc/13/80/35/583138035.db2.gz WEFINRFRYDTBRH-VIFPVBQESA-N 2 0 279.344 -0.836 20 0 CBADRP CN(C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC([NH3+])C1 ZINC000841790480 583173996 /nfs/dbraw/zinc/17/39/96/583173996.db2.gz XIBNWFVLYXLXEN-KPFVRQRISA-N 2 0 282.388 -0.019 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000841789760 583174094 /nfs/dbraw/zinc/17/40/94/583174094.db2.gz QMHPBRZLJZUHGS-SRVKXCTJSA-N 2 0 270.377 -0.114 20 0 CBADRP O=C(NCC[NH2+]C1CC1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000841790198 583174110 /nfs/dbraw/zinc/17/41/10/583174110.db2.gz AJDYWQUGAHQDSK-STQMWFEESA-N 2 0 282.388 -0.099 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH2+]1 ZINC000841790811 583174409 /nfs/dbraw/zinc/17/44/09/583174409.db2.gz KLELBMHZCDBKRP-UPJWGTAASA-N 2 0 282.388 -0.147 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH2+]1 ZINC000841790809 583174526 /nfs/dbraw/zinc/17/45/26/583174526.db2.gz KLELBMHZCDBKRP-JHJVBQTASA-N 2 0 282.388 -0.147 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000841850193 583175222 /nfs/dbraw/zinc/17/52/22/583175222.db2.gz CWYSUDOCYUMNSG-SDDRHHMPSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCCC[NH3+])[NH+]1CCCCC1 ZINC000842014632 583177638 /nfs/dbraw/zinc/17/76/38/583177638.db2.gz DGSHANHSPPTYIR-LLVKDONJSA-N 2 0 270.377 -0.558 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[NH+]1CCCCC1 ZINC000842014232 583177662 /nfs/dbraw/zinc/17/76/62/583177662.db2.gz APSLMTNUUTWIRF-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[NH+]1CCCCC1 ZINC000842014686 583177678 /nfs/dbraw/zinc/17/76/78/583177678.db2.gz DRNYSLTVLUYMAZ-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[NH+]1CCCCC1 ZINC000842014240 583177746 /nfs/dbraw/zinc/17/77/46/583177746.db2.gz ATQAXNBRRXCODT-YPMHNXCESA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000842015779 583178247 /nfs/dbraw/zinc/17/82/47/583178247.db2.gz NGELPEYJIYWZRM-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000842130376 583179448 /nfs/dbraw/zinc/17/94/48/583179448.db2.gz NTYKKRRSSGFMLC-OLZOCXBDSA-N 2 0 296.415 -0.156 20 0 CBADRP CN(C(=O)c1[nH]nc2c1C[NH2+]CC2)[C@H](C[NH3+])C1CC1 ZINC000842509589 583184577 /nfs/dbraw/zinc/18/45/77/583184577.db2.gz GHQWBILONXXXBZ-LLVKDONJSA-N 2 0 263.345 -0.135 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842512199 583184739 /nfs/dbraw/zinc/18/47/39/583184739.db2.gz IGFJMCHTQALCKA-WCQYABFASA-N 2 0 253.346 -0.281 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842513536 583184939 /nfs/dbraw/zinc/18/49/39/583184939.db2.gz SRMWPVZJEQIEFL-CABZTGNLSA-N 2 0 255.318 -0.769 20 0 CBADRP [NH3+]C[C@H]1CCCN(C(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000843320868 583208646 /nfs/dbraw/zinc/20/86/46/583208646.db2.gz UQAUZWBUCDEXHU-NEPJUHHUSA-N 2 0 255.362 -0.048 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)NC[C@H]1CCC[NH2+]C1 ZINC000843318580 583208692 /nfs/dbraw/zinc/20/86/92/583208692.db2.gz FYZSECPAEUGAPS-RYUDHWBXSA-N 2 0 255.362 -0.129 20 0 CBADRP [NH3+]CCc1ccc(CNC(=O)[C@H]2C[NH2+]CCO2)cc1 ZINC000843326367 583208855 /nfs/dbraw/zinc/20/88/55/583208855.db2.gz HDIJRZGNPMQRSV-CYBMUJFWSA-N 2 0 263.341 -0.208 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000843326859 583208868 /nfs/dbraw/zinc/20/88/68/583208868.db2.gz XESSOYUYSUPFOC-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH2+][C@H](C(=O)N(C)CCN1CC[NH2+]CC1)c1cnn(C)c1 ZINC000843337822 583210063 /nfs/dbraw/zinc/21/00/63/583210063.db2.gz BNFBWKZHJNVUIO-ZDUSSCGKSA-N 2 0 294.403 -0.956 20 0 CBADRP C[C@@](C[NH3+])(NC(=O)CO[C@H]1CCC[NH2+]C1)C1CC1 ZINC000843344180 583210863 /nfs/dbraw/zinc/21/08/63/583210863.db2.gz TVYGIDAESWKSAV-AAEUAGOBSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000843347153 583211156 /nfs/dbraw/zinc/21/11/56/583211156.db2.gz UDKBMNLEMPNVGU-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000843455642 583221132 /nfs/dbraw/zinc/22/11/32/583221132.db2.gz SBQDWCSLBJCNHM-SDDRHHMPSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000843461382 583222471 /nfs/dbraw/zinc/22/24/71/583222471.db2.gz USAQOORTUIBGGN-JSGCOSHPSA-N 2 0 267.373 -0.033 20 0 CBADRP C[N@@H+]1CCCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000843463126 583223686 /nfs/dbraw/zinc/22/36/86/583223686.db2.gz ZIBJGJPCYBQIGO-GFCCVEGCSA-N 2 0 255.362 -0.081 20 0 CBADRP C[C@@]1(C[NH3+])CCN(C(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000843472306 583224434 /nfs/dbraw/zinc/22/44/34/583224434.db2.gz AMDCBOBEMHHTAD-AAEUAGOBSA-N 2 0 255.362 -0.048 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000843484697 583227198 /nfs/dbraw/zinc/22/71/98/583227198.db2.gz QVDAYQJDNMAMNH-VHSXEESVSA-N 2 0 277.315 -0.132 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)NC[C@@H]1C[NH2+]CCCO1 ZINC000843486544 583227311 /nfs/dbraw/zinc/22/73/11/583227311.db2.gz UMLLYDUXULJEPK-RYUDHWBXSA-N 2 0 271.361 -0.750 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844170943 583256146 /nfs/dbraw/zinc/25/61/46/583256146.db2.gz OCLZFJLSQLSWJL-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH2+]CC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000844172421 583256783 /nfs/dbraw/zinc/25/67/83/583256783.db2.gz XOYBISLDZOWHMN-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844172690 583256795 /nfs/dbraw/zinc/25/67/95/583256795.db2.gz GHUAEPFDBXVEEJ-CYBMUJFWSA-N 2 0 287.404 -0.161 20 0 CBADRP COCC[NH+]1CCC(NC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844176156 583257215 /nfs/dbraw/zinc/25/72/15/583257215.db2.gz XNYBHFWCZYOFHU-CQSZACIVSA-N 2 0 299.415 -0.018 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844192467 583260658 /nfs/dbraw/zinc/26/06/58/583260658.db2.gz TVJOQPPBQQREQD-CQSZACIVSA-N 2 0 298.431 -0.491 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000846366123 583359895 /nfs/dbraw/zinc/35/98/95/583359895.db2.gz YMQXNSCZMKVXGR-UHFFFAOYSA-N 2 0 284.404 -0.392 20 0 CBADRP CCO[C@@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@H]1C[NH3+] ZINC000846694992 583383930 /nfs/dbraw/zinc/38/39/30/583383930.db2.gz HKCFCRJLHFQPOA-BXKDBHETSA-N 2 0 293.371 -0.509 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H](N)CC[NH+](C)C ZINC000846716617 583385922 /nfs/dbraw/zinc/38/59/22/583385922.db2.gz DFCVWIHDOANTRO-VXGBXAGGSA-N 2 0 256.394 -0.134 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)N2CCOCC2)C1 ZINC000848718333 583456980 /nfs/dbraw/zinc/45/69/80/583456980.db2.gz IXPHGTDNFOPMLN-NEPJUHHUSA-N 2 0 291.417 -0.492 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(C)=O ZINC000848981200 583463801 /nfs/dbraw/zinc/46/38/01/583463801.db2.gz AEMINMMTFFFPCO-NSHDSACASA-N 2 0 255.366 -0.279 20 0 CBADRP C[C@H]1C[NH+]=C(NCC(C)(C)N2CC[NH+](C)CC2)N1 ZINC000848984002 583464093 /nfs/dbraw/zinc/46/40/93/583464093.db2.gz CBUQOWXWASHOMW-NSHDSACASA-N 2 0 253.394 -0.050 20 0 CBADRP COCCNC(=[NH2+])NCCCC[NH+]1CCN(C)CC1 ZINC000848989472 583464692 /nfs/dbraw/zinc/46/46/92/583464692.db2.gz SZKGBXBYDKZTOI-UHFFFAOYSA-N 2 0 271.409 -0.226 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CCNC(=O)C1 ZINC000849017220 583468072 /nfs/dbraw/zinc/46/80/72/583468072.db2.gz MUOYFHGFCCFKEZ-LBPRGKRZSA-N 2 0 296.419 -0.984 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCC(F)F ZINC000849026086 583469153 /nfs/dbraw/zinc/46/91/53/583469153.db2.gz UIHFGOCYVSERCP-SECBINFHSA-N 2 0 291.346 -0.034 20 0 CBADRP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCCO ZINC000849033850 583469880 /nfs/dbraw/zinc/46/98/80/583469880.db2.gz CBMVBQSZCNVLDR-NEPJUHHUSA-N 2 0 272.393 -0.018 20 0 CBADRP C[C@H](CNC1=[NH+]CCCCN1)N1CC[NH+](C)CC1 ZINC000849216068 583474011 /nfs/dbraw/zinc/47/40/11/583474011.db2.gz SMRSUXYNVADOLE-GFCCVEGCSA-N 2 0 253.394 -0.049 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000851656435 583518163 /nfs/dbraw/zinc/51/81/63/583518163.db2.gz LCTUZZQFZVWCTC-SDDRHHMPSA-N 2 0 270.377 -0.243 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)NCC12CC(C1)C[NH2+]2 ZINC000851657085 583518234 /nfs/dbraw/zinc/51/82/34/583518234.db2.gz UVMCONLIPFGPSZ-FMPXUHTOSA-N 2 0 294.399 -0.099 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000851657140 583518256 /nfs/dbraw/zinc/51/82/56/583518256.db2.gz VJHOURZQFBZDAG-ICRTXTNUSA-N 2 0 294.399 -0.018 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000851689349 583521947 /nfs/dbraw/zinc/52/19/47/583521947.db2.gz NIBSQHOXFGEGMN-NSHDSACASA-N 2 0 296.415 -0.312 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])C1 ZINC000851689590 583521964 /nfs/dbraw/zinc/52/19/64/583521964.db2.gz QWLXQOSDVDIZKJ-VHSXEESVSA-N 2 0 256.350 -0.950 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000851689936 583522170 /nfs/dbraw/zinc/52/21/70/583522170.db2.gz WBOJNFKCXVXUJD-NWDGAFQWSA-N 2 0 296.415 -0.027 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H]1COCCO1 ZINC000852496501 583547657 /nfs/dbraw/zinc/54/76/57/583547657.db2.gz RIIAYVYWFILJHA-AWEZNQCLSA-N 2 0 271.405 -0.029 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852793192 583552701 /nfs/dbraw/zinc/55/27/01/583552701.db2.gz UDQXKYXPGQPAPZ-QXEWZRGKSA-N 2 0 254.334 -0.182 20 0 CBADRP O=C(C=C1CC[NH2+]CC1)NCCCN1CC[NH2+]CC1 ZINC000852790343 583552710 /nfs/dbraw/zinc/55/27/10/583552710.db2.gz PLEKIWCGTKVUNA-UHFFFAOYSA-N 2 0 266.389 -0.292 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N(C2CC2)C2CC[NH2+]CC2)=NO1 ZINC000852792947 583552736 /nfs/dbraw/zinc/55/27/36/583552736.db2.gz JLRQIHRFKHXYHH-LLVKDONJSA-N 2 0 266.345 -0.167 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852793190 583552745 /nfs/dbraw/zinc/55/27/45/583552745.db2.gz UDQXKYXPGQPAPZ-IQJOONFLSA-N 2 0 254.334 -0.182 20 0 CBADRP C[C@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000852794880 583552962 /nfs/dbraw/zinc/55/29/62/583552962.db2.gz SVGOFAICTXTCOB-LPEHRKFASA-N 2 0 254.334 -0.406 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)=NO1 ZINC000852798162 583553281 /nfs/dbraw/zinc/55/32/81/583553281.db2.gz GTSYPEOAGVFDFX-KXUCPTDWSA-N 2 0 252.318 -0.557 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)=NO1 ZINC000852798163 583553304 /nfs/dbraw/zinc/55/33/04/583553304.db2.gz GTSYPEOAGVFDFX-UTLUCORTSA-N 2 0 252.318 -0.557 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000852798093 583553336 /nfs/dbraw/zinc/55/33/36/583553336.db2.gz GASHCVJXDJGDIC-AVGNSLFASA-N 2 0 285.388 -0.282 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC000852825027 583556645 /nfs/dbraw/zinc/55/66/45/583556645.db2.gz ILDVAGJHOJZTON-NEPJUHHUSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1[NH2+]CC12CCOCC2 ZINC000852825571 583556934 /nfs/dbraw/zinc/55/69/34/583556934.db2.gz RXXUIKBDSXUWOX-QWRGUYRKSA-N 2 0 253.346 -0.377 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1[NH2+]CC12CCOCC2 ZINC000852825572 583557023 /nfs/dbraw/zinc/55/70/23/583557023.db2.gz RXXUIKBDSXUWOX-WDEREUQCSA-N 2 0 253.346 -0.377 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000852833122 583558165 /nfs/dbraw/zinc/55/81/65/583558165.db2.gz VFVAPYQUXDJAGI-IUCAKERBSA-N 2 0 265.304 -0.148 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852858337 583561815 /nfs/dbraw/zinc/56/18/15/583561815.db2.gz YXKQLWZJTZQDAD-JTQLQIEISA-N 2 0 254.334 -0.357 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000852857085 583561862 /nfs/dbraw/zinc/56/18/62/583561862.db2.gz ZBWRYUSPBLTAKP-LLVKDONJSA-N 2 0 284.404 -0.395 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852860630 583562438 /nfs/dbraw/zinc/56/24/38/583562438.db2.gz TUPNWJWOZSSAMT-WDEREUQCSA-N 2 0 268.361 -0.110 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852860645 583562546 /nfs/dbraw/zinc/56/25/46/583562546.db2.gz TZJJQNMCPFWQAH-JTQLQIEISA-N 2 0 272.349 -0.826 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)C1CC1 ZINC000852860375 583562566 /nfs/dbraw/zinc/56/25/66/583562566.db2.gz DBSFIXQWGFJVBR-ONGXEEELSA-N 2 0 254.334 -0.454 20 0 CBADRP CC[NH+]1CCC(CNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852862147 583562828 /nfs/dbraw/zinc/56/28/28/583562828.db2.gz UUNQWCBEWUWWML-NSHDSACASA-N 2 0 268.361 -0.062 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852861764 583562860 /nfs/dbraw/zinc/56/28/60/583562860.db2.gz IYKFCZBIFRGXJK-QWRGUYRKSA-N 2 0 268.361 -0.064 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852861763 583562884 /nfs/dbraw/zinc/56/28/84/583562884.db2.gz IYKFCZBIFRGXJK-MNOVXSKESA-N 2 0 268.361 -0.064 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852864358 583563646 /nfs/dbraw/zinc/56/36/46/583563646.db2.gz TUURUPWSKKCJKK-SDDRHHMPSA-N 2 0 253.346 -0.297 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)=NO1 ZINC000852864766 583563658 /nfs/dbraw/zinc/56/36/58/583563658.db2.gz HLYGIPJBVFJHOB-WDEREUQCSA-N 2 0 266.345 -0.213 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)=NO1 ZINC000852864763 583563752 /nfs/dbraw/zinc/56/37/52/583563752.db2.gz HLYGIPJBVFJHOB-GHMZBOCLSA-N 2 0 266.345 -0.213 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)=NO1 ZINC000852864765 583563774 /nfs/dbraw/zinc/56/37/74/583563774.db2.gz HLYGIPJBVFJHOB-QWRGUYRKSA-N 2 0 266.345 -0.213 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)=NO1 ZINC000852865620 583563965 /nfs/dbraw/zinc/56/39/65/583563965.db2.gz JZUCHMBUROYGQY-MNOVXSKESA-N 2 0 266.345 -0.310 20 0 CBADRP C[C@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)[N@H+](C)C1CC1 ZINC000852865165 583564178 /nfs/dbraw/zinc/56/41/78/583564178.db2.gz SVZNDBCIZQILNO-SCZZXKLOSA-N 2 0 254.334 -0.311 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)=NO1 ZINC000852869776 583564842 /nfs/dbraw/zinc/56/48/42/583564842.db2.gz LMARZHLLXYPCAW-NWDGAFQWSA-N 2 0 296.371 -0.729 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852873309 583565507 /nfs/dbraw/zinc/56/55/07/583565507.db2.gz RIIORWAUNJRNHA-LBPRGKRZSA-N 2 0 297.403 -0.766 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)=NO1 ZINC000852875363 583565815 /nfs/dbraw/zinc/56/58/15/583565815.db2.gz IUAPXNRQQPYDLS-UKKRHICBSA-N 2 0 266.345 -0.324 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000852878158 583566324 /nfs/dbraw/zinc/56/63/24/583566324.db2.gz MECZOFPRAHWTCK-OBJOEFQTSA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000852878159 583566379 /nfs/dbraw/zinc/56/63/79/583566379.db2.gz MECZOFPRAHWTCK-SGMGOOAPSA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000852881541 583567064 /nfs/dbraw/zinc/56/70/64/583567064.db2.gz MHOLHWTUKHECKS-VGMNWLOBSA-N 2 0 263.288 -0.536 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852881649 583567073 /nfs/dbraw/zinc/56/70/73/583567073.db2.gz ZEAREEXTJIAGIR-LBPRGKRZSA-N 2 0 281.356 -0.340 20 0 CBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852884466 583568009 /nfs/dbraw/zinc/56/80/09/583568009.db2.gz ZJCJXMDVFUQHQP-RYUDHWBXSA-N 2 0 298.387 -0.341 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852884887 583568409 /nfs/dbraw/zinc/56/84/09/583568409.db2.gz PTJLBMKANLVDQB-FOGDFJRCSA-N 2 0 268.361 -0.111 20 0 CBADRP C[NH+](C)C[C@@H]1CCCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852886176 583568716 /nfs/dbraw/zinc/56/87/16/583568716.db2.gz YTYPYVJCMWWFSE-UWVGGRQHSA-N 2 0 254.334 -0.357 20 0 CBADRP C[NH+](C)C[C@H]1CCCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852886189 583568718 /nfs/dbraw/zinc/56/87/18/583568718.db2.gz YTYPYVJCMWWFSE-ZJUUUORDSA-N 2 0 254.334 -0.357 20 0 CBADRP [NH3+]C[C@@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)C1CCCC1 ZINC000852889521 583569667 /nfs/dbraw/zinc/56/96/67/583569667.db2.gz FGWCRAUEBZKPIV-MWLCHTKSSA-N 2 0 254.334 -0.276 20 0 CBADRP CCCN(CC[NH+](C)C)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852893480 583570760 /nfs/dbraw/zinc/57/07/60/583570760.db2.gz HJMNWOKADDDGNJ-JTQLQIEISA-N 2 0 256.350 -0.110 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000852913676 583574027 /nfs/dbraw/zinc/57/40/27/583574027.db2.gz CJTHCXFOJAFWLS-ZIAGYGMSSA-N 2 0 296.415 -0.739 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852914577 583574112 /nfs/dbraw/zinc/57/41/12/583574112.db2.gz BVSGMPWJFRSGOR-VHSXEESVSA-N 2 0 254.334 -0.310 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)NCC12CC(C1)C[NH2+]2 ZINC000852916711 583574856 /nfs/dbraw/zinc/57/48/56/583574856.db2.gz DDMYMJIXAFRXHA-AKJDGMEZSA-N 2 0 253.346 -0.377 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCC[C@H](C)[NH3+])C1 ZINC000857102657 583664805 /nfs/dbraw/zinc/66/48/05/583664805.db2.gz JFVQATJRRXTJLI-WDEREUQCSA-N 2 0 258.366 -0.256 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000857107019 583664953 /nfs/dbraw/zinc/66/49/53/583664953.db2.gz ICBCMDJUHKDVTF-QWRGUYRKSA-N 2 0 285.392 -0.780 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000857107005 583665056 /nfs/dbraw/zinc/66/50/56/583665056.db2.gz HVCJZNILFZIBAK-RYUDHWBXSA-N 2 0 299.419 -0.247 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000857110292 583665502 /nfs/dbraw/zinc/66/55/02/583665502.db2.gz ROFCAQCDCVRHCT-NWDGAFQWSA-N 2 0 272.393 -0.130 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000857112181 583665778 /nfs/dbraw/zinc/66/57/78/583665778.db2.gz HJISCLLXQBAPTG-LBPRGKRZSA-N 3 0 273.425 -0.142 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC2CC([NH+](C)C)C2)CC1 ZINC000857230132 583667587 /nfs/dbraw/zinc/66/75/87/583667587.db2.gz DCZFZOUOYGBKPA-UHFFFAOYSA-N 2 0 268.405 -0.167 20 0 CBADRP C[NH+](C)CC(=O)N1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858345863 583691723 /nfs/dbraw/zinc/69/17/23/583691723.db2.gz VTKWXNCLYRZCMA-UHFFFAOYSA-N 2 0 278.356 -0.216 20 0 CBADRP C[NH+](C)C[C@H]1CCCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000858377724 583693352 /nfs/dbraw/zinc/69/33/52/583693352.db2.gz BSDPKHNJXRTWSS-MRVPVSSYSA-N 2 0 251.338 -0.186 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000861634748 583773660 /nfs/dbraw/zinc/77/36/60/583773660.db2.gz SDEUVXOUZADPKH-LLVKDONJSA-N 2 0 258.366 -0.303 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000861644895 583774892 /nfs/dbraw/zinc/77/48/92/583774892.db2.gz BCNJDSOEZRGAKC-JGVFFNPUSA-N 2 0 250.293 -0.028 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH+]3CC[C@H](O)C3)C2)C1 ZINC000861712829 583780490 /nfs/dbraw/zinc/78/04/90/583780490.db2.gz URBYTIKIQCAKSB-XQQFMLRXSA-N 2 0 267.373 -0.394 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000861729897 583781663 /nfs/dbraw/zinc/78/16/63/583781663.db2.gz DXHXHPCTLMJANK-NSHDSACASA-N 2 0 284.404 -0.219 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861732478 583782123 /nfs/dbraw/zinc/78/21/23/583782123.db2.gz ZYYQJCRKKUBFDY-QWRGUYRKSA-N 2 0 272.393 -0.362 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861732477 583782153 /nfs/dbraw/zinc/78/21/53/583782153.db2.gz ZYYQJCRKKUBFDY-MNOVXSKESA-N 2 0 272.393 -0.362 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000861742852 583782987 /nfs/dbraw/zinc/78/29/87/583782987.db2.gz MFOAVTRZAADVPD-UWVGGRQHSA-N 2 0 268.361 -0.855 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000861742868 583783059 /nfs/dbraw/zinc/78/30/59/583783059.db2.gz NABWJPHZOAOUHT-NXEZZACHSA-N 2 0 258.366 -0.752 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000861744897 583783303 /nfs/dbraw/zinc/78/33/03/583783303.db2.gz PZLSVFSLVVYHTK-SDDRHHMPSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000861744134 583783322 /nfs/dbraw/zinc/78/33/22/583783322.db2.gz HIWLGXJEDFOLBR-QNWHQSFQSA-N 2 0 296.415 -0.158 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000861761182 583785048 /nfs/dbraw/zinc/78/50/48/583785048.db2.gz YLLOBXQMYINRER-GHMZBOCLSA-N 2 0 286.420 -0.116 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861772218 583785673 /nfs/dbraw/zinc/78/56/73/583785673.db2.gz RUQQVNNAIGPLJL-GHMZBOCLSA-N 2 0 272.393 -0.362 20 0 CBADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000863548233 583846163 /nfs/dbraw/zinc/84/61/63/583846163.db2.gz VYAVICJISCFBSI-QWRGUYRKSA-N 2 0 259.350 -0.765 20 0 CBADRP [NH3+]CCC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549716 583846324 /nfs/dbraw/zinc/84/63/24/583846324.db2.gz PSVSWHGSTPYZSD-NEPJUHHUSA-N 3 0 268.361 -0.408 20 0 CBADRP COC(=O)C1=CC[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000863573057 583847344 /nfs/dbraw/zinc/84/73/44/583847344.db2.gz SQFQVVPIDLXVIT-KBPBESRZSA-N 2 0 297.399 -0.554 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000863749888 583852417 /nfs/dbraw/zinc/85/24/17/583852417.db2.gz DYGHQFKCLRVPNJ-STQMWFEESA-N 2 0 296.415 -0.121 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000863761444 583854276 /nfs/dbraw/zinc/85/42/76/583854276.db2.gz HFVMCIQAJKPHGY-XQQFMLRXSA-N 2 0 298.431 -0.019 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000863761958 583854393 /nfs/dbraw/zinc/85/43/93/583854393.db2.gz VOAXXDWUULMPKF-QWHCGFSZSA-N 2 0 296.415 -0.264 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863764208 583854659 /nfs/dbraw/zinc/85/46/59/583854659.db2.gz OJURIGXBTJCXDK-LLVKDONJSA-N 2 0 272.393 -0.408 20 0 CBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000863769057 583855485 /nfs/dbraw/zinc/85/54/85/583855485.db2.gz DQSSNUNPNACIPZ-NSHDSACASA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000863774500 583856225 /nfs/dbraw/zinc/85/62/25/583856225.db2.gz ZKMXNBUFYXDZQM-LLVKDONJSA-N 2 0 284.404 -0.408 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000864057353 583866525 /nfs/dbraw/zinc/86/65/25/583866525.db2.gz NPLYZMMFDQOISI-SBEAFCBVSA-N 2 0 294.399 -0.187 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000864065360 583868042 /nfs/dbraw/zinc/86/80/42/583868042.db2.gz MADWPNLEOXNWGM-KZVDOYCCSA-N 2 0 269.389 -0.102 20 0 CBADRP Cn1ncnc1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866010608 583914404 /nfs/dbraw/zinc/91/44/04/583914404.db2.gz MURMXWYRBIGQNR-VXGBXAGGSA-N 2 0 266.393 -0.009 20 0 CBADRP Cn1nnnc1CC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000866667862 583926501 /nfs/dbraw/zinc/92/65/01/583926501.db2.gz AGHLDDZWGUKCOV-ZDUSSCGKSA-N 2 0 294.403 -0.157 20 0 CBADRP Cn1nnnc1CC[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000866665986 583926537 /nfs/dbraw/zinc/92/65/37/583926537.db2.gz JVSKXQYCCWTVCW-TZMCWYRMSA-N 2 0 294.403 -0.029 20 0 CBADRP COC[C@@H](C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)OC ZINC000866711046 583928110 /nfs/dbraw/zinc/92/81/10/583928110.db2.gz AOAPJIFRUFRUSB-LPWJVIDDSA-N 2 0 299.371 -0.485 20 0 CBADRP CN(C)C(=O)CC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712142 583928118 /nfs/dbraw/zinc/92/81/18/583928118.db2.gz RFDJAYZEHGUHKZ-TUAOUCFPSA-N 2 0 296.371 -0.668 20 0 CBADRP O=C1NCCO[C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)[C@H]12 ZINC000866717462 583928718 /nfs/dbraw/zinc/92/87/18/583928718.db2.gz GFDSAXLPKUVQQE-OLZOCXBDSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(CCN1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC000866724102 583928849 /nfs/dbraw/zinc/92/88/49/583928849.db2.gz IDEKSZGVRQAQCM-STQMWFEESA-N 2 0 266.389 -0.365 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000866737422 583929711 /nfs/dbraw/zinc/92/97/11/583929711.db2.gz DSQHDHBDENRIBG-NSHDSACASA-N 2 0 263.407 -0.061 20 0 CBADRP COCC[NH2+]CC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000868041897 583969853 /nfs/dbraw/zinc/96/98/53/583969853.db2.gz HGJLGILQSNAOCV-UHFFFAOYSA-N 2 0 273.377 -0.503 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC000868388218 583976628 /nfs/dbraw/zinc/97/66/28/583976628.db2.gz XAGAGOWKFGQUFI-JHJVBQTASA-N 2 0 294.399 -0.641 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC[C@@H]21 ZINC000868387151 583976638 /nfs/dbraw/zinc/97/66/38/583976638.db2.gz PXWCOQAAFOBMBG-UTUOFQBUSA-N 2 0 280.372 -0.901 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC[C@@H]21 ZINC000868399073 583977392 /nfs/dbraw/zinc/97/73/92/583977392.db2.gz AYRPGJRQKZNHJU-CYDGBPFRSA-N 2 0 292.383 -0.888 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868392138 583977410 /nfs/dbraw/zinc/97/74/10/583977410.db2.gz SVXMOUKJFKPMJQ-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868402745 583977467 /nfs/dbraw/zinc/97/74/67/583977467.db2.gz SHUKQJNQCPMCSW-FVCCEPFGSA-N 2 0 294.399 -0.513 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000868405694 583977983 /nfs/dbraw/zinc/97/79/83/583977983.db2.gz JNGMSHACFOLVDD-UHFFFAOYSA-N 2 0 270.377 -0.654 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868421459 583979137 /nfs/dbraw/zinc/97/91/37/583979137.db2.gz LNMTYHBEXDIKCQ-NEPJUHHUSA-N 2 0 282.388 -0.641 20 0 CBADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)[NH+](C)C ZINC000869780032 584004279 /nfs/dbraw/zinc/00/42/79/584004279.db2.gz MYIRUIMLWMEDQE-QWRGUYRKSA-N 2 0 257.378 -0.102 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870885184 584020504 /nfs/dbraw/zinc/02/05/04/584020504.db2.gz DDAXZKWRBQXZQN-JVWICGRDSA-N 2 0 280.416 -0.119 20 0 CBADRP O=C(CCC12CC(C1)C[NH2+]2)NCCN1CC[NH2+]CC1 ZINC000870932636 584021805 /nfs/dbraw/zinc/02/18/05/584021805.db2.gz ITJTVXBRUDPKIE-UHFFFAOYSA-N 2 0 266.389 -0.460 20 0 CBADRP CN1CCN(C(=O)CCC23CC(C2)C[NH2+]3)[C@H](C[NH3+])C1 ZINC000870938028 584022057 /nfs/dbraw/zinc/02/20/57/584022057.db2.gz DQXDVGMVLKHBJO-MBHSVXNSSA-N 2 0 266.389 -0.380 20 0 CBADRP CN1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H](C[NH3+])C1 ZINC000870938872 584022367 /nfs/dbraw/zinc/02/23/67/584022367.db2.gz VQJYVTOIMHROAT-GRYCIOLGSA-N 2 0 254.378 -0.395 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3COCC[NH2+]3)CC[C@@H]21 ZINC000870981046 584023997 /nfs/dbraw/zinc/02/39/97/584023997.db2.gz FLVJNHFFZJPMDC-AGIUHOORSA-N 2 0 267.373 -0.083 20 0 CBADRP C[C@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000870987469 584024417 /nfs/dbraw/zinc/02/44/17/584024417.db2.gz IRQLVSOCIRTLML-WCQYABFASA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)(C[NH3+])C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870999772 584024684 /nfs/dbraw/zinc/02/46/84/584024684.db2.gz PETLQVAGJLXNIQ-MXWKQRLJSA-N 2 0 296.371 -0.635 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCC(=O)N1CCOCC1)C2 ZINC000872153283 584048177 /nfs/dbraw/zinc/04/81/77/584048177.db2.gz GWTOMYFAYDWTJD-GXTWGEPZSA-N 2 0 267.373 -0.223 20 0 CBADRP CC[C@H](C[C@H](C)O)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000872243077 584051979 /nfs/dbraw/zinc/05/19/79/584051979.db2.gz RCLPTLASGPNGKE-MJBXVCDLSA-N 2 0 273.421 -0.266 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000872263067 584052389 /nfs/dbraw/zinc/05/23/89/584052389.db2.gz IHTGFDMAICUZJF-OKILXGFUSA-N 2 0 277.372 -0.050 20 0 CBADRP CC1(C)CC[NH2+]CCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000872297903 584054829 /nfs/dbraw/zinc/05/48/29/584054829.db2.gz YNZWKLFBKCAXKF-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872302628 584054986 /nfs/dbraw/zinc/05/49/86/584054986.db2.gz GFJAMLVFXDGJBC-KXNHARMFSA-N 2 0 296.371 -0.622 20 0 CBADRP Nc1cnc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cn1 ZINC000873210259 584068851 /nfs/dbraw/zinc/06/88/51/584068851.db2.gz AIHUIHFTVDGHPI-GFCCVEGCSA-N 2 0 262.361 -0.462 20 0 CBADRP C[C@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)C1CC[NH2+]CC1 ZINC000873222464 584068989 /nfs/dbraw/zinc/06/89/89/584068989.db2.gz UXNCXEGXTJMUMM-JTQLQIEISA-N 2 0 280.372 -0.438 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000873265384 584069599 /nfs/dbraw/zinc/06/95/99/584069599.db2.gz HOIASCSHEIBATD-NQBHXWOUSA-N 2 0 269.345 -0.916 20 0 CBADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000873267228 584069712 /nfs/dbraw/zinc/06/97/12/584069712.db2.gz YFOYUUDTDYKGSE-NFAWXSAZSA-N 2 0 297.399 -0.408 20 0 CBADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000873267230 584069806 /nfs/dbraw/zinc/06/98/06/584069806.db2.gz YFOYUUDTDYKGSE-VNHYZAJKSA-N 2 0 297.399 -0.408 20 0 CBADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000873266779 584069918 /nfs/dbraw/zinc/06/99/18/584069918.db2.gz QIKHZYWKWJSEJX-NFAWXSAZSA-N 2 0 297.399 -0.136 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C[NH+]2CCCC2)C1 ZINC000874281900 584080485 /nfs/dbraw/zinc/08/04/85/584080485.db2.gz WEWPKMWBZSGJKE-ZDUSSCGKSA-N 2 0 296.415 -0.214 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000876502576 584129609 /nfs/dbraw/zinc/12/96/09/584129609.db2.gz DXZOAFGCVHBHCS-DWFBKHCSSA-N 2 0 280.416 -0.190 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@]2(COC)C[NH2+]CCO2)C1 ZINC000876503248 584129775 /nfs/dbraw/zinc/12/97/75/584129775.db2.gz DRGXEZAIMFTFOE-OCCSQVGLSA-N 2 0 285.388 -0.551 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@]2(COC)C[NH2+]CCO2)C1 ZINC000876503247 584129794 /nfs/dbraw/zinc/12/97/94/584129794.db2.gz DRGXEZAIMFTFOE-JSGCOSHPSA-N 2 0 285.388 -0.551 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H]2CCC[NH2+]C2)C[NH2+]CCO1 ZINC000876512930 584130479 /nfs/dbraw/zinc/13/04/79/584130479.db2.gz CNFWOUJRUCFSRF-YPMHNXCESA-N 2 0 271.361 -0.893 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000876515319 584130545 /nfs/dbraw/zinc/13/05/45/584130545.db2.gz OOUQYVJMQLNLSB-SNVBAGLBSA-N 2 0 251.334 -0.249 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H]2CCCC[NH2+]2)C[NH2+]CCO1 ZINC000876514889 584130553 /nfs/dbraw/zinc/13/05/53/584130553.db2.gz IZHAZLYZGAWLOS-WCQYABFASA-N 2 0 271.361 -0.750 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]2CCCC[NH2+]2)C[NH2+]CCO1 ZINC000876514900 584130569 /nfs/dbraw/zinc/13/05/69/584130569.db2.gz IZHAZLYZGAWLOS-YPMHNXCESA-N 2 0 271.361 -0.750 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000876523660 584131153 /nfs/dbraw/zinc/13/11/53/584131153.db2.gz AULRGGIPXBXCGU-RYUDHWBXSA-N 2 0 250.346 -0.309 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876525931 584131219 /nfs/dbraw/zinc/13/12/19/584131219.db2.gz NECXPABUXDIQPB-NWDGAFQWSA-N 2 0 268.405 -0.277 20 0 CBADRP COC[C@]1(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)C[NH2+]CCO1 ZINC000876529780 584131491 /nfs/dbraw/zinc/13/14/91/584131491.db2.gz HPXDBXFVKAPNRW-GVXVVHGQSA-N 2 0 271.361 -0.800 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@]2(COC)C[NH2+]CCO2)CC1 ZINC000876528363 584131535 /nfs/dbraw/zinc/13/15/35/584131535.db2.gz VRTZXSZZXMMSHE-AWEZNQCLSA-N 2 0 285.388 -0.551 20 0 CBADRP COC[C@]1(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)C[NH2+]CCO1 ZINC000876534079 584131788 /nfs/dbraw/zinc/13/17/88/584131788.db2.gz NWVITVFORVHRJV-SCRDCRAPSA-N 2 0 285.388 -0.423 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876713847 584140477 /nfs/dbraw/zinc/14/04/77/584140477.db2.gz UKMHPZNRWMONCD-OLZOCXBDSA-N 2 0 286.420 -0.652 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H](N)C[NH+](C)C)C[C@H](C)O1 ZINC000876715760 584140732 /nfs/dbraw/zinc/14/07/32/584140732.db2.gz ACIPLLLMTGCWGB-XQQFMLRXSA-N 2 0 286.420 -0.509 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@]2(COC)C[NH2+]CCO2)C1 ZINC000876717757 584140780 /nfs/dbraw/zinc/14/07/80/584140780.db2.gz HBBKDNMMRCVEDX-DZGCQCFKSA-N 2 0 299.415 -0.066 20 0 CBADRP COC[C@]1(C(=O)N2CCC(C[NH+](C)C)CC2)C[NH2+]CCO1 ZINC000876725372 584140987 /nfs/dbraw/zinc/14/09/87/584140987.db2.gz QLEFNLAGZAOPQL-HNNXBMFYSA-N 2 0 299.415 -0.208 20 0 CBADRP COC[C@]1(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C[NH2+]CCO1 ZINC000876728467 584141333 /nfs/dbraw/zinc/14/13/33/584141333.db2.gz MXIBHFBAAFSYRV-HIFRSBDPSA-N 2 0 299.415 -0.208 20 0 CBADRP COC[C@@]1(C(=O)N2CC[NH+](CC3CC3)CC2)C[NH2+]CCO1 ZINC000876728369 584141380 /nfs/dbraw/zinc/14/13/80/584141380.db2.gz KBWYSQDLALTQDP-OAHLLOKOSA-N 2 0 297.399 -0.454 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H](C)C[NH+]2CCCC2)C[NH2+]CCO1 ZINC000876729238 584141452 /nfs/dbraw/zinc/14/14/52/584141452.db2.gz IDFXLGVCBAOHTN-HIFRSBDPSA-N 2 0 299.415 -0.161 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000876743677 584141591 /nfs/dbraw/zinc/14/15/91/584141591.db2.gz HHHVDRZUUARRLO-XPCVCDNBSA-N 2 0 297.399 -0.267 20 0 CBADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876735006 584141787 /nfs/dbraw/zinc/14/17/87/584141787.db2.gz CCDICEKQBHALDT-AWEZNQCLSA-N 2 0 299.463 -0.735 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000876742444 584141804 /nfs/dbraw/zinc/14/18/04/584141804.db2.gz UMFLQSPVQALBPQ-OLZOCXBDSA-N 2 0 268.405 -0.038 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876745071 584141925 /nfs/dbraw/zinc/14/19/25/584141925.db2.gz YPZOFERSIFZYSP-UMSGYPCISA-N 2 0 285.363 -0.087 20 0 CBADRP [NH3+]C[C@]1(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCOC1 ZINC000876743775 584141944 /nfs/dbraw/zinc/14/19/44/584141944.db2.gz IMKIHGQROBSONG-UMVBOHGHSA-N 2 0 297.399 -0.279 20 0 CBADRP CC[N@H+](CCNC(=O)CN1CC[NH2+]CC1)C(C)C ZINC000876750141 584142198 /nfs/dbraw/zinc/14/21/98/584142198.db2.gz TVKYNLDDYVRYHP-UHFFFAOYSA-N 2 0 256.394 -0.262 20 0 CBADRP COC[C@@]1(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[NH2+]CCO1 ZINC000876754034 584142423 /nfs/dbraw/zinc/14/24/23/584142423.db2.gz LVRYDKNEOCHPHB-DZGCQCFKSA-N 2 0 297.399 -0.408 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C[NH2+]CCO1 ZINC000876769069 584143729 /nfs/dbraw/zinc/14/37/29/584143729.db2.gz NCUVJSDUMKLZPN-YDHLFZDLSA-N 2 0 299.415 -0.020 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876782237 584144193 /nfs/dbraw/zinc/14/41/93/584144193.db2.gz VBBXGIZDWIGVAQ-CHWSQXEVSA-N 2 0 286.395 -0.312 20 0 CBADRP C[NH+]1CCN(CCNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC1 ZINC000876780271 584144203 /nfs/dbraw/zinc/14/42/03/584144203.db2.gz DKSOTECTHVLTQC-WSNITJDQSA-N 2 0 280.416 -0.094 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000876780143 584144218 /nfs/dbraw/zinc/14/42/18/584144218.db2.gz DRSTXXLHVLMMAD-XUJVJEKNSA-N 2 0 297.399 -0.267 20 0 CBADRP COCC[NH2+]CCNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876792769 584144898 /nfs/dbraw/zinc/14/48/98/584144898.db2.gz YYJDCAKHMSVJDZ-QMAVJUDZSA-N 2 0 255.362 -0.106 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)C[NH2+]CCO1 ZINC000876796375 584145065 /nfs/dbraw/zinc/14/50/65/584145065.db2.gz KPMWGATXUOQFOU-WZRBSPASSA-N 2 0 271.361 -0.813 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000876793008 584145105 /nfs/dbraw/zinc/14/51/05/584145105.db2.gz CQRJDQRNCNVSTL-NSHDSACASA-N 2 0 254.378 -0.523 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000876794531 584145200 /nfs/dbraw/zinc/14/52/00/584145200.db2.gz XBWYRXQSUJJCNB-PWSUYJOCSA-N 2 0 277.372 -0.275 20 0 CBADRP C[NH2+]CCC1CCN(C(=O)[C@@]2(COC)C[NH2+]CCO2)CC1 ZINC000876792796 584145238 /nfs/dbraw/zinc/14/52/38/584145238.db2.gz ZZNANPVADZPEGF-HNNXBMFYSA-N 2 0 299.415 -0.161 20 0 CBADRP O=C(CN1CC[NH2+]CC1)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000876800425 584145563 /nfs/dbraw/zinc/14/55/63/584145563.db2.gz MUUDBZBQBBGMIK-UHFFFAOYSA-N 2 0 292.387 -0.349 20 0 CBADRP COC[C@]1(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C[NH2+]CCO1 ZINC000876799632 584145615 /nfs/dbraw/zinc/14/56/15/584145615.db2.gz IOEWQMDJFCNVFO-XPCVCDNBSA-N 2 0 297.399 -0.423 20 0 CBADRP COC[C@@]1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C[NH2+]CCO1 ZINC000876805508 584147015 /nfs/dbraw/zinc/14/70/15/584147015.db2.gz CPIHYIYJAIASKP-UONOGXRCSA-N 2 0 283.372 -0.797 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)CCO1 ZINC000876807586 584147282 /nfs/dbraw/zinc/14/72/82/584147282.db2.gz HBBYAUMJLLKANB-BLDJZWNYSA-N 2 0 253.346 -0.272 20 0 CBADRP COC[C@@]1(C(=O)N2CCC(C)([NH3+])CC2)C[NH2+]CCO1 ZINC000876828063 584147732 /nfs/dbraw/zinc/14/77/32/584147732.db2.gz XTFCOJXWRCGDHG-CYBMUJFWSA-N 2 0 271.361 -0.669 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@]2(COC)C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000876834852 584148303 /nfs/dbraw/zinc/14/83/03/584148303.db2.gz WCONRSSHLJPKIS-MBNYWOFBSA-N 2 0 285.388 -0.423 20 0 CBADRP COCC1(CNC(=O)[C@@H](N)C[NH+](C)C)CC[NH2+]CC1 ZINC000876842665 584148420 /nfs/dbraw/zinc/14/84/20/584148420.db2.gz DUIZOEUZPGLONX-NSHDSACASA-N 2 0 272.393 -0.992 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@](C)(C[NH3+])C2)C[NH2+]CCO1 ZINC000876839822 584148443 /nfs/dbraw/zinc/14/84/43/584148443.db2.gz AKEPBWLXQORROV-STQMWFEESA-N 2 0 271.361 -0.811 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000876841032 584148507 /nfs/dbraw/zinc/14/85/07/584148507.db2.gz IWPTZOZZJTTWMQ-WCQYABFASA-N 2 0 254.378 -0.523 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C[NH2+]CCO1 ZINC000876840598 584148546 /nfs/dbraw/zinc/14/85/46/584148546.db2.gz CTLBCUWSPVKTDM-GJZGRUSLSA-N 2 0 297.399 -0.407 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CC[NH2+]CC1CC1 ZINC000876849043 584149412 /nfs/dbraw/zinc/14/94/12/584149412.db2.gz WDPQCLPLBCMRHA-GFCCVEGCSA-N 2 0 283.372 -0.260 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876849444 584149473 /nfs/dbraw/zinc/14/94/73/584149473.db2.gz ZWTCAQQOTRVHMG-SRVKXCTJSA-N 2 0 283.372 -0.133 20 0 CBADRP COC[C@]1(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C[NH2+]CCO1 ZINC000876850454 584149712 /nfs/dbraw/zinc/14/97/12/584149712.db2.gz RXHDKVLJCJKPEU-GJZGRUSLSA-N 2 0 297.399 -0.407 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C[NH2+]CCO1 ZINC000876857599 584150474 /nfs/dbraw/zinc/15/04/74/584150474.db2.gz SNDQIAGDXRXZOU-DYEKYZERSA-N 2 0 283.372 -0.798 20 0 CBADRP [NH3+]C[C@]1(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CCCOC1 ZINC000876866341 584151043 /nfs/dbraw/zinc/15/10/43/584151043.db2.gz RSXTWMDKYYVDAU-GXSJLCMTSA-N 2 0 277.315 -0.145 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cn1 ZINC000876872119 584151851 /nfs/dbraw/zinc/15/18/51/584151851.db2.gz RGEKMHPXTQFGGC-YPMHNXCESA-N 2 0 277.372 -0.121 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000876918718 584155469 /nfs/dbraw/zinc/15/54/69/584155469.db2.gz MHDASXKRJSVFFC-HBNTYKKESA-N 2 0 255.362 -0.064 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C[NH2+]CCO1 ZINC000876924413 584155921 /nfs/dbraw/zinc/15/59/21/584155921.db2.gz RTSDFNSERLNPGQ-KGLIPLIRSA-N 2 0 283.372 -0.654 20 0 CBADRP COC[C@]1(C(=O)N[C@H](C)C[C@H](C)[NH3+])C[NH2+]CCO1 ZINC000876934953 584156668 /nfs/dbraw/zinc/15/66/68/584156668.db2.gz OWHPIVBZVVBBHZ-UMNHJUIQSA-N 2 0 259.350 -0.767 20 0 CBADRP COC[C@]1(C(=O)N[C@H](C)C[C@@H](C)[NH3+])C[NH2+]CCO1 ZINC000876934950 584156682 /nfs/dbraw/zinc/15/66/82/584156682.db2.gz OWHPIVBZVVBBHZ-FOGDFJRCSA-N 2 0 259.350 -0.767 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)[C@@H](N)C[NH+](C)C ZINC000876943093 584156990 /nfs/dbraw/zinc/15/69/90/584156990.db2.gz BODSPTVMEZHRDZ-LBPRGKRZSA-N 2 0 258.410 -0.031 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000876948093 584157577 /nfs/dbraw/zinc/15/75/77/584157577.db2.gz FONVWUCRCBSYIA-DDHJBXDOSA-N 2 0 273.352 -0.244 20 0 CBADRP COC[C@]1(C(=O)NCCC2CC[NH2+]CC2)C[NH2+]CCO1 ZINC000876951288 584157777 /nfs/dbraw/zinc/15/77/77/584157777.db2.gz JFDNREYZQZLXOV-AWEZNQCLSA-N 2 0 285.388 -0.503 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000876950654 584157827 /nfs/dbraw/zinc/15/78/27/584157827.db2.gz RMFFTUNKTLXZPX-XJFOESAGSA-N 2 0 298.431 -0.237 20 0 CBADRP COC[C@@]1(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C[NH2+]CCO1 ZINC000876959210 584158299 /nfs/dbraw/zinc/15/82/99/584158299.db2.gz QADVGWLMUKYEDN-SWLSCSKDSA-N 2 0 299.415 -0.020 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C[NH2+]CCO1 ZINC000876959211 584158339 /nfs/dbraw/zinc/15/83/39/584158339.db2.gz QADVGWLMUKYEDN-WFASDCNBSA-N 2 0 299.415 -0.020 20 0 CBADRP COC[C@@]1(C(=O)N(C)CC(C)(C)[NH3+])C[NH2+]CCO1 ZINC000876957987 584158444 /nfs/dbraw/zinc/15/84/44/584158444.db2.gz NNSLRYJJRYUPAK-GFCCVEGCSA-N 2 0 259.350 -0.813 20 0 CBADRP COC[C@]1(C(=O)NCC2([NH3+])CCCC2)C[NH2+]CCO1 ZINC000876964137 584158612 /nfs/dbraw/zinc/15/86/12/584158612.db2.gz UDRBETSNBGEZBI-ZDUSSCGKSA-N 2 0 271.361 -0.621 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000876973197 584159152 /nfs/dbraw/zinc/15/91/52/584159152.db2.gz XQZFMDGPIWKJSQ-RWMBFGLXSA-N 2 0 280.416 -0.134 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000876973392 584159186 /nfs/dbraw/zinc/15/91/86/584159186.db2.gz ZIOLVOZSEBACRZ-YPPIOFQSSA-N 2 0 292.427 -0.096 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCC1([NH3+])CCOCC1 ZINC000877014645 584161728 /nfs/dbraw/zinc/16/17/28/584161728.db2.gz KQIOWZDALWQGOC-VHSXEESVSA-N 2 0 255.362 -0.016 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000877029344 584162476 /nfs/dbraw/zinc/16/24/76/584162476.db2.gz AAZZBIZRBZTCSP-QWRGUYRKSA-N 2 0 261.341 -0.372 20 0 CBADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NC[C@H]1COCC[NH2+]1 ZINC000877038830 584163407 /nfs/dbraw/zinc/16/34/07/584163407.db2.gz YXNXQDOQZKVMHD-WGPFEIJOSA-N 2 0 253.346 -0.353 20 0 CBADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NC[C@H]1COCC[NH2+]1 ZINC000877038828 584163492 /nfs/dbraw/zinc/16/34/92/584163492.db2.gz YXNXQDOQZKVMHD-QSKOYVBTSA-N 2 0 253.346 -0.353 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)C[NH2+]CCO1 ZINC000877045613 584164017 /nfs/dbraw/zinc/16/40/17/584164017.db2.gz DBVUORJOTICHPL-LOWVWBTDSA-N 2 0 271.361 -0.752 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)C[NH2+]CCO1 ZINC000877045617 584164027 /nfs/dbraw/zinc/16/40/27/584164027.db2.gz DBVUORJOTICHPL-WZRBSPASSA-N 2 0 271.361 -0.752 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C[NH2+]1 ZINC000877052934 584164216 /nfs/dbraw/zinc/16/42/16/584164216.db2.gz YSTIYZPXVIVANY-BDAKNGLRSA-N 2 0 263.345 -0.074 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000877116457 584167266 /nfs/dbraw/zinc/16/72/66/584167266.db2.gz YAXMOUSPLNYWNT-KGLIPLIRSA-N 2 0 298.431 -0.508 20 0 CBADRP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000877132504 584167689 /nfs/dbraw/zinc/16/76/89/584167689.db2.gz GBOALHZAZVAAPC-AWEZNQCLSA-N 2 0 299.415 -0.208 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877153669 584168197 /nfs/dbraw/zinc/16/81/97/584168197.db2.gz XOYCFFWZRAVNHH-YPMHNXCESA-N 2 0 298.431 -0.020 20 0 CBADRP COC[C@@]1(C(=O)N2C3CCC2(C[NH3+])CC3)C[NH2+]CCO1 ZINC000877184961 584169696 /nfs/dbraw/zinc/16/96/96/584169696.db2.gz ILIBIDBFYSXVAV-UXUKBGGZSA-N 2 0 283.372 -0.526 20 0 CBADRP C[NH+](C)CC(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000877206384 584170456 /nfs/dbraw/zinc/17/04/56/584170456.db2.gz HNTLHTMGJIVALR-UHFFFAOYSA-N 2 0 288.355 -0.096 20 0 CBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877245736 584171955 /nfs/dbraw/zinc/17/19/55/584171955.db2.gz JFVYRYDBZONWIB-NZEXEKPDSA-N 2 0 267.373 -0.003 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(C)C[NH2+]CCO3)CC[C@@H]21 ZINC000877248521 584172286 /nfs/dbraw/zinc/17/22/86/584172286.db2.gz AVTJHJZVNNVOAA-DYEKYZERSA-N 2 0 267.373 -0.083 20 0 CBADRP C[C@H](NC(=O)[C@H]1CCO[C@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000877254376 584173444 /nfs/dbraw/zinc/17/34/44/584173444.db2.gz UZMBPTUDWZNYEH-DLOVCJGASA-N 2 0 255.362 -0.146 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)=NO1 ZINC000877264864 584173826 /nfs/dbraw/zinc/17/38/26/584173826.db2.gz AYFNTQVSPMJULR-JBLDHEPKSA-N 2 0 266.345 -0.310 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877279878 584175683 /nfs/dbraw/zinc/17/56/83/584175683.db2.gz AECSJHMYSZSELP-MDZLAQPJSA-N 2 0 282.388 -0.561 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877280275 584175686 /nfs/dbraw/zinc/17/56/86/584175686.db2.gz CBOPJHNEYBGRHG-WOPDTQHZSA-N 2 0 253.346 -0.282 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877280272 584175723 /nfs/dbraw/zinc/17/57/23/584175723.db2.gz CBOPJHNEYBGRHG-IJLUTSLNSA-N 2 0 253.346 -0.282 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]CCO1 ZINC000877293553 584176059 /nfs/dbraw/zinc/17/60/59/584176059.db2.gz QEGZROLOZRIIES-GVXVVHGQSA-N 2 0 271.361 -0.623 20 0 CBADRP C[C@@]1(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[NH2+]CCO1 ZINC000877326904 584178377 /nfs/dbraw/zinc/17/83/77/584178377.db2.gz ISWRXTISVPHYSR-JSGCOSHPSA-N 2 0 297.399 -0.360 20 0 CBADRP C[NH2+]CCC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877332353 584178828 /nfs/dbraw/zinc/17/88/28/584178828.db2.gz ZABXACCICXRDES-LLVKDONJSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@]1(F)CC[NH2+]C1 ZINC000877335655 584178855 /nfs/dbraw/zinc/17/88/55/584178855.db2.gz DDPRPHBOGSAEBJ-RISCZKNCSA-N 2 0 285.363 -0.037 20 0 CBADRP CC(C)([NH3+])C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877338763 584179063 /nfs/dbraw/zinc/17/90/63/584179063.db2.gz MIGUCEWTEPHROS-SNVBAGLBSA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)[C@H]1C[NH2+]CCO1 ZINC000877343637 584179323 /nfs/dbraw/zinc/17/93/23/584179323.db2.gz PEJAUNLPZUJIAO-ZIAGYGMSSA-N 2 0 275.352 -0.195 20 0 CBADRP COCC[NH2+]CC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877371840 584179763 /nfs/dbraw/zinc/17/97/63/584179763.db2.gz WQBMHDCTRUJAMW-BDAKNGLRSA-N 2 0 283.294 -0.182 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877393569 584180503 /nfs/dbraw/zinc/18/05/03/584180503.db2.gz ZXWRDIZYRIWVMD-ZOWXZIJZSA-N 2 0 294.399 -0.355 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)C[NH2+]CCO1 ZINC000877451453 584182408 /nfs/dbraw/zinc/18/24/08/584182408.db2.gz MLQXUMHYSUDQCY-YDHLFZDLSA-N 2 0 297.399 -0.314 20 0 CBADRP C[NH+]1CCC(NC(=O)C[N@H+](CCO)CC2CC2)CC1 ZINC000877996980 584189979 /nfs/dbraw/zinc/18/99/79/584189979.db2.gz XNAVTFABCZWGFF-UHFFFAOYSA-N 2 0 269.389 -0.099 20 0 CBADRP CNC(=O)[C@H](C)C[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878161789 584194495 /nfs/dbraw/zinc/19/44/95/584194495.db2.gz CFVWXZBDNMZXKT-LLVKDONJSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878319500 584199452 /nfs/dbraw/zinc/19/94/52/584199452.db2.gz UPKWTIQSICANMA-CMPLNLGQSA-N 2 0 255.362 -0.348 20 0 CBADRP CC[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@@H]1O ZINC000878321678 584199815 /nfs/dbraw/zinc/19/98/15/584199815.db2.gz SGPJAOUYEHPCMO-YPMHNXCESA-N 2 0 269.389 -0.101 20 0 CBADRP CNC(=O)[C@]1(C)CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878548658 584207982 /nfs/dbraw/zinc/20/79/82/584207982.db2.gz ZVJOVVNPTNIENA-OAHLLOKOSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[C@@](C)([NH2+]CC(=O)NC1CC[NH+](C)CC1)C(N)=O ZINC000878608725 584210618 /nfs/dbraw/zinc/21/06/18/584210618.db2.gz BEEBWCJLEKZDTQ-CQSZACIVSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000878867710 584219673 /nfs/dbraw/zinc/21/96/73/584219673.db2.gz LYLDGZXKYPKLAM-GJZGRUSLSA-N 2 0 285.432 -0.168 20 0 CBADRP CO[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)[C@@](C)(CO)C1 ZINC000879261449 584230905 /nfs/dbraw/zinc/23/09/05/584230905.db2.gz KMRDAZHRJZEZAT-UKRRQHHQSA-N 2 0 299.415 -0.332 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H](CO)C[NH+]2CCCC2)CC1 ZINC000879996251 584258788 /nfs/dbraw/zinc/25/87/88/584258788.db2.gz IMMOMNJKCQEPJZ-ZDUSSCGKSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H](CO)C[NH+]2CCCC2)CC1 ZINC000879998037 584259074 /nfs/dbraw/zinc/25/90/74/584259074.db2.gz JWELBOGGQHNOHN-CQSZACIVSA-N 2 0 298.431 -0.803 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000879998381 584259101 /nfs/dbraw/zinc/25/91/01/584259101.db2.gz RKFTYVHNAXLEIE-NEPJUHHUSA-N 2 0 255.362 -0.489 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000879998717 584259307 /nfs/dbraw/zinc/25/93/07/584259307.db2.gz YOPYDEXPJGZSIL-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP C[N@H+](CCNc1ccncc1F)CCOCCO ZINC000882950918 584334814 /nfs/dbraw/zinc/33/48/14/584334814.db2.gz GMJPHQJPGGGSRC-UHFFFAOYSA-N 2 0 257.309 -0.005 20 0 CBADRP NS(=O)(=O)CCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000883424121 584341737 /nfs/dbraw/zinc/34/17/37/584341737.db2.gz HEZGJBWISFFXGH-UHFFFAOYSA-N 2 0 261.391 -0.260 20 0 CBADRP F[C@@H]1C[NH2+][C@H](CN2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000883429872 584341937 /nfs/dbraw/zinc/34/19/37/584341937.db2.gz HBRSCGLWGSEFIE-RWMBFGLXSA-N 2 0 256.369 -0.334 20 0 CBADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCn2cnnn2)CC1 ZINC000883431799 584342022 /nfs/dbraw/zinc/34/20/22/584342022.db2.gz DNWQEGOHSIIMSN-OLZOCXBDSA-N 2 0 280.376 -0.109 20 0 CBADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCC[NH2+]CC1 ZINC000884009033 584355443 /nfs/dbraw/zinc/35/54/43/584355443.db2.gz JQZUBFJVKUNZHJ-UHFFFAOYSA-N 2 0 289.383 -0.073 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884016265 584355950 /nfs/dbraw/zinc/35/59/50/584355950.db2.gz RKZRCBKQKSEFJH-GFCCVEGCSA-N 2 0 275.356 -0.417 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000884180294 584364505 /nfs/dbraw/zinc/36/45/05/584364505.db2.gz SQZZNFHFULABBT-CHWSQXEVSA-N 2 0 287.404 -0.177 20 0 CBADRP COCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000884180295 584364534 /nfs/dbraw/zinc/36/45/34/584364534.db2.gz SQZZNFHFULABBT-OLZOCXBDSA-N 2 0 287.404 -0.177 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000884234045 584368850 /nfs/dbraw/zinc/36/88/50/584368850.db2.gz GEELBPFLVYUCGX-ZDUSSCGKSA-N 2 0 282.432 -0.014 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884235107 584369210 /nfs/dbraw/zinc/36/92/10/584369210.db2.gz MJDWULUFRQLKIP-QWHCGFSZSA-N 2 0 282.432 -0.016 20 0 CBADRP C[C@H]([NH3+])CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884275006 584371502 /nfs/dbraw/zinc/37/15/02/584371502.db2.gz ZZXYHMKMIFSUJF-JTQLQIEISA-N 2 0 263.345 -0.432 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000884285624 584372227 /nfs/dbraw/zinc/37/22/27/584372227.db2.gz NZTVGUNLCGTDBS-STQMWFEESA-N 2 0 280.416 -0.262 20 0 CBADRP [NH3+][C@@H](CC1CC1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000884289163 584372279 /nfs/dbraw/zinc/37/22/79/584372279.db2.gz VDFUGSWXBRXKHX-OLZOCXBDSA-N 2 0 266.389 -0.380 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000884358788 584376103 /nfs/dbraw/zinc/37/61/03/584376103.db2.gz YAGBWPSURHSTPC-ZJUUUORDSA-N 2 0 263.345 -0.089 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)CC1=O ZINC000884356211 584376213 /nfs/dbraw/zinc/37/62/13/584376213.db2.gz AGUMSCHPCFAHHH-UTUOFQBUSA-N 2 0 296.415 -0.362 20 0 CBADRP CC1(C)[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@@H]1[NH3+] ZINC000884358787 584376265 /nfs/dbraw/zinc/37/62/65/584376265.db2.gz YAGBWPSURHSTPC-VHSXEESVSA-N 2 0 263.345 -0.089 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)CC[NH2+]C1 ZINC000884360520 584376486 /nfs/dbraw/zinc/37/64/86/584376486.db2.gz BHOFNAHUQJSDOG-BREBYQMCSA-N 2 0 255.362 -0.146 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)CC[NH2+]C1 ZINC000884360522 584376529 /nfs/dbraw/zinc/37/65/29/584376529.db2.gz BHOFNAHUQJSDOG-KWBADKCTSA-N 2 0 255.362 -0.146 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884405733 584379568 /nfs/dbraw/zinc/37/95/68/584379568.db2.gz BMVNWGDDXWTDSF-LBPRGKRZSA-N 2 0 298.431 -0.290 20 0 CBADRP C[C@@]1(NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC[NH2+]C1 ZINC000884422480 584380796 /nfs/dbraw/zinc/38/07/96/584380796.db2.gz XVFKQFWLNGQVCH-OAHLLOKOSA-N 2 0 289.383 -0.027 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000884463226 584382914 /nfs/dbraw/zinc/38/29/14/584382914.db2.gz AHBIVWCETFJNEB-GFCCVEGCSA-N 2 0 293.371 -0.207 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C[N@@H+]1C1CC1 ZINC000884554348 584387720 /nfs/dbraw/zinc/38/77/20/584387720.db2.gz RJJPASJRXFXNBI-DMDPSCGWSA-N 2 0 294.399 -0.323 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[N@@H+]1C1CC1 ZINC000884553970 584387778 /nfs/dbraw/zinc/38/77/78/584387778.db2.gz KWAAOBOMLXGWPR-XZUYRWCXSA-N 2 0 292.383 -0.700 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884554372 584387823 /nfs/dbraw/zinc/38/78/23/584387823.db2.gz RYJLYVWCCRENMC-DCQANWLSSA-N 2 0 294.399 -0.467 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884555314 584387884 /nfs/dbraw/zinc/38/78/84/584387884.db2.gz ONGABHACFMFRNJ-UHTWSYAYSA-N 2 0 294.399 -0.465 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)[N@H+](C)C1CC1 ZINC000884616903 584391045 /nfs/dbraw/zinc/39/10/45/584391045.db2.gz DTVJRCJEWNCXGV-VWYCJHECSA-N 2 0 282.388 -0.467 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884617651 584391076 /nfs/dbraw/zinc/39/10/76/584391076.db2.gz PRBLHQWRLBHBAB-FRRDWIJNSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884617653 584391130 /nfs/dbraw/zinc/39/11/30/584391130.db2.gz PRBLHQWRLBHBAB-RWMBFGLXSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884617450 584391201 /nfs/dbraw/zinc/39/12/01/584391201.db2.gz MSAMBCRNKLQJGX-XQQFMLRXSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])C1=CC[N@H+](C)CC1 ZINC000884623646 584391320 /nfs/dbraw/zinc/39/13/20/584391320.db2.gz KKISJEDITRKALB-NSHDSACASA-N 2 0 296.415 -0.003 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884659281 584393141 /nfs/dbraw/zinc/39/31/41/584393141.db2.gz NICYBXRLVNHSGP-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)[NH+](CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C(C)C ZINC000884668555 584393653 /nfs/dbraw/zinc/39/36/53/584393653.db2.gz WLJNKLKNCWDMHY-STQMWFEESA-N 2 0 296.415 -0.206 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000884669901 584393739 /nfs/dbraw/zinc/39/37/39/584393739.db2.gz JUDHHXIXIYWKMH-VOAKCMCISA-N 2 0 294.399 -0.323 20 0 CBADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000884671942 584394023 /nfs/dbraw/zinc/39/40/23/584394023.db2.gz DAHISZRELUEHNB-UHFFFAOYSA-N 2 0 296.415 -0.072 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NC3CC[NH2+]CC3)CC[C@@H]21 ZINC000884675675 584394648 /nfs/dbraw/zinc/39/46/48/584394648.db2.gz LOVULRMAFXZLAZ-AAEUAGOBSA-N 2 0 294.399 -0.593 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC[C@H]21 ZINC000884678319 584395074 /nfs/dbraw/zinc/39/50/74/584395074.db2.gz WYXAWPXKWCIXBD-GRYCIOLGSA-N 2 0 280.372 -0.983 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884684779 584395917 /nfs/dbraw/zinc/39/59/17/584395917.db2.gz PIFSZRLJVUXVOL-DCAQKATOSA-N 2 0 268.361 -0.998 20 0 CBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000884685986 584396177 /nfs/dbraw/zinc/39/61/77/584396177.db2.gz VXASOQAFANIRLT-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000884686375 584396470 /nfs/dbraw/zinc/39/64/70/584396470.db2.gz GUVHGMRYKLCNIR-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884687663 584396582 /nfs/dbraw/zinc/39/65/82/584396582.db2.gz DHKYVGDPTSKUJT-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000884693363 584398027 /nfs/dbraw/zinc/39/80/27/584398027.db2.gz WTEABCPXEDWWBE-UHFFFAOYSA-N 2 0 282.388 -0.593 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884701589 584398631 /nfs/dbraw/zinc/39/86/31/584398631.db2.gz KZMMLFYKIGGDOZ-XQQFMLRXSA-N 2 0 296.415 -0.362 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000884704400 584398859 /nfs/dbraw/zinc/39/88/59/584398859.db2.gz FSRVHYDYVGTADY-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000884704824 584399183 /nfs/dbraw/zinc/39/91/83/584399183.db2.gz UZCMNRBZBWMBNT-CDWSIMAYSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884705319 584399471 /nfs/dbraw/zinc/39/94/71/584399471.db2.gz PFJVQKYSFISWNM-GARJFASQSA-N 2 0 268.361 -0.998 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CCC1(C)C ZINC000884707069 584399604 /nfs/dbraw/zinc/39/96/04/584399604.db2.gz XENQYIWUMICLCO-GFCCVEGCSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000884728532 584401046 /nfs/dbraw/zinc/40/10/46/584401046.db2.gz TZEWOFGDGPKGHL-MVKMKZAISA-N 2 0 294.399 -0.452 20 0 CBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000887064684 584460586 /nfs/dbraw/zinc/46/05/86/584460586.db2.gz MYRUYFZUUOZDFC-UHFFFAOYSA-N 2 0 296.415 -0.120 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000887086234 584462680 /nfs/dbraw/zinc/46/26/80/584462680.db2.gz AFIQXPTXIHICPO-CYBMUJFWSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[N@H+](C)C[C@H](O)Cn1cc(CN2CCC[C@H]([NH3+])C2)nn1 ZINC000887451201 584468125 /nfs/dbraw/zinc/46/81/25/584468125.db2.gz IXRLIZNRPJISKH-JSGCOSHPSA-N 2 0 296.419 -0.486 20 0 CBADRP CC[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000890057349 584539776 /nfs/dbraw/zinc/53/97/76/584539776.db2.gz CHHKEGCCPBPHGN-RWMBFGLXSA-N 2 0 282.388 -0.459 20 0 CBADRP C[NH+](C)CCN1CCC(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000891340986 584579415 /nfs/dbraw/zinc/57/94/15/584579415.db2.gz XEYCZWKTWXWWEW-KBPBESRZSA-N 2 0 295.431 -0.232 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000891492802 584582521 /nfs/dbraw/zinc/58/25/21/584582521.db2.gz JGALZLNACHFPME-WDEREUQCSA-N 2 0 258.366 -0.304 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000891513944 584583414 /nfs/dbraw/zinc/58/34/14/584583414.db2.gz KHPDEANIMLUKMJ-LPWJVIDDSA-N 2 0 282.388 -0.114 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000891527803 584584425 /nfs/dbraw/zinc/58/44/25/584584425.db2.gz LOLJSXUKZDIFAQ-UPJWGTAASA-N 2 0 283.420 -0.247 20 0 CBADRP CCN(C(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@@H]1CC[NH2+]C1 ZINC000891540391 584584708 /nfs/dbraw/zinc/58/47/08/584584708.db2.gz QALNIDLXVSHAOV-OLZOCXBDSA-N 2 0 283.420 -0.374 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000891540415 584584776 /nfs/dbraw/zinc/58/47/76/584584776.db2.gz QWBKZYAEIDWCCC-NEPJUHHUSA-N 2 0 269.393 -0.635 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000891539462 584584788 /nfs/dbraw/zinc/58/47/88/584584788.db2.gz BBCJKILVYSKGBY-FRRDWIJNSA-N 2 0 283.420 -0.199 20 0 CBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891560432 584586273 /nfs/dbraw/zinc/58/62/73/584586273.db2.gz NNGQAVIUQZPMNF-NHCYSSNCSA-N 2 0 250.346 -0.021 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891560433 584586395 /nfs/dbraw/zinc/58/63/95/584586395.db2.gz NNGQAVIUQZPMNF-SCVCMEIPSA-N 2 0 250.346 -0.021 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000891576928 584587021 /nfs/dbraw/zinc/58/70/21/584587021.db2.gz PFMMJKWRGUXJOG-XQQFMLRXSA-N 2 0 282.388 -0.147 20 0 CBADRP C[C@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC000891604222 584587827 /nfs/dbraw/zinc/58/78/27/584587827.db2.gz WLGWMKRLMKCOPU-MGPQQGTHSA-N 2 0 297.447 -0.094 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCCCN1CC[NH2+]CC1 ZINC000891968518 584595760 /nfs/dbraw/zinc/59/57/60/584595760.db2.gz MXNPUUJJHMRRFA-RYUDHWBXSA-N 2 0 269.393 -0.587 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891967821 584595778 /nfs/dbraw/zinc/59/57/78/584595778.db2.gz BIOFZNXJUZQBIG-ZIAGYGMSSA-N 2 0 295.431 -0.182 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCCCN1CC[NH2+]CC1 ZINC000891968516 584595812 /nfs/dbraw/zinc/59/58/12/584595812.db2.gz MXNPUUJJHMRRFA-NWDGAFQWSA-N 2 0 269.393 -0.587 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCCN1CC[NH2+]CC1 ZINC000891968514 584595843 /nfs/dbraw/zinc/59/58/43/584595843.db2.gz MXNPUUJJHMRRFA-NEPJUHHUSA-N 2 0 269.393 -0.587 20 0 CBADRP [NH3+][C@@H]1CCCCCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000891970780 584595974 /nfs/dbraw/zinc/59/59/74/584595974.db2.gz ODZGGPXGIUUXKQ-GFCCVEGCSA-N 2 0 297.403 -0.669 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCCN3CC[NH2+]CC3)CC[C@@H]21 ZINC000891972846 584596484 /nfs/dbraw/zinc/59/64/84/584596484.db2.gz LUYOQQSFSHBLCS-KGLIPLIRSA-N 2 0 295.431 -0.373 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891973208 584596547 /nfs/dbraw/zinc/59/65/47/584596547.db2.gz QIMQENQKQZQQES-QWHCGFSZSA-N 2 0 281.404 -0.573 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891973064 584596574 /nfs/dbraw/zinc/59/65/74/584596574.db2.gz OSTUTLSFFMBHIK-TXEJJXNPSA-N 2 0 267.377 -0.963 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000892049143 584601170 /nfs/dbraw/zinc/60/11/70/584601170.db2.gz SCWNDDIGYDWVIJ-NWDGAFQWSA-N 2 0 284.404 -0.132 20 0 CBADRP CCN(C(=O)NCC[NH2+]CCOC)[C@@H]1CC[NH2+]C1 ZINC000892054478 584601911 /nfs/dbraw/zinc/60/19/11/584601911.db2.gz CRZUHRKWVOAYIW-LLVKDONJSA-N 2 0 258.366 -0.384 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000892056814 584602363 /nfs/dbraw/zinc/60/23/63/584602363.db2.gz VISYZHQPGXUGCU-MNOVXSKESA-N 2 0 272.393 -0.132 20 0 CBADRP C[C@H](C[NH3+])NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892060991 584602586 /nfs/dbraw/zinc/60/25/86/584602586.db2.gz BUMWNRYHYNRJGB-MNOVXSKESA-N 2 0 270.377 -0.209 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000892087954 584603876 /nfs/dbraw/zinc/60/38/76/584603876.db2.gz FWCACGSJWFTAPS-UWVGGRQHSA-N 2 0 258.366 -0.522 20 0 CBADRP [NH3+]C[C@@H]1CCCCN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000892166225 584606994 /nfs/dbraw/zinc/60/69/94/584606994.db2.gz HPGUHZDUVPOACZ-NWDGAFQWSA-N 2 0 270.377 -0.112 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000892167585 584607040 /nfs/dbraw/zinc/60/70/40/584607040.db2.gz QKSDMBAKWQLLKD-GHMZBOCLSA-N 2 0 256.350 -0.502 20 0 CBADRP [NH3+]CC1(NC(=O)NC[C@H]2C[NH2+]CCO2)CCCCC1 ZINC000892181797 584607717 /nfs/dbraw/zinc/60/77/17/584607717.db2.gz VHMIYKOJUHVORU-LLVKDONJSA-N 2 0 270.377 -0.064 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892178482 584607819 /nfs/dbraw/zinc/60/78/19/584607819.db2.gz DNWMRBNBDYBTQI-OUAUKWLOSA-N 2 0 254.334 -0.879 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000892183111 584607987 /nfs/dbraw/zinc/60/79/87/584607987.db2.gz BURGXJUGFSHCDP-QJPTWQEYSA-N 2 0 268.361 -0.489 20 0 CBADRP CCN(C(=O)NC[C@H]1C[NH2+]CCO1)[C@H]1CC[NH2+]C1 ZINC000892190284 584609108 /nfs/dbraw/zinc/60/91/08/584609108.db2.gz XWHXTZZRQSLRAC-WDEREUQCSA-N 2 0 256.350 -0.632 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CCC[NH+](C)C2)CC[N@H+](C)CC1 ZINC000892237713 584611121 /nfs/dbraw/zinc/61/11/21/584611121.db2.gz OKQPXOKFOOIZMG-CQSZACIVSA-N 2 0 297.447 -0.031 20 0 CBADRP CCN(C(=O)NCC1([NH3+])CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000892282363 584612064 /nfs/dbraw/zinc/61/20/64/584612064.db2.gz RBPISELONJXHKL-LLVKDONJSA-N 2 0 270.377 -0.112 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000892283562 584612430 /nfs/dbraw/zinc/61/24/30/584612430.db2.gz RVXXWXIGGVPHJC-RYUDHWBXSA-N 2 0 270.377 -0.242 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)NC[C@H]1COCC[NH2+]1 ZINC000892287533 584612497 /nfs/dbraw/zinc/61/24/97/584612497.db2.gz OSUWOGWXXYLPNC-UWVGGRQHSA-N 2 0 292.330 -0.481 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000892283563 584612662 /nfs/dbraw/zinc/61/26/62/584612662.db2.gz RVXXWXIGGVPHJC-VXGBXAGGSA-N 2 0 270.377 -0.242 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000892288690 584612982 /nfs/dbraw/zinc/61/29/82/584612982.db2.gz FRJXSPZMZUVWFC-MDZLAQPJSA-N 2 0 268.361 -0.441 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000892290813 584613264 /nfs/dbraw/zinc/61/32/64/584613264.db2.gz ULZWPJBHNPCECU-XSRFYTQQSA-N 2 0 268.361 -0.360 20 0 CBADRP C[N@@H+]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1(C)C ZINC000892289836 584613270 /nfs/dbraw/zinc/61/32/70/584613270.db2.gz NYQYXMYCKIWYOC-LLVKDONJSA-N 2 0 270.377 -0.290 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000892291144 584613604 /nfs/dbraw/zinc/61/36/04/584613604.db2.gz WLMKUOJQGYWULQ-SRVKXCTJSA-N 2 0 270.377 -0.209 20 0 CBADRP [NH3+][C@H]1CCCCCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000892294579 584613900 /nfs/dbraw/zinc/61/39/00/584613900.db2.gz KMPYIURANJVSTI-RYUDHWBXSA-N 2 0 270.377 -0.112 20 0 CBADRP [NH3+][C@H]1CCCCCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000892294578 584613917 /nfs/dbraw/zinc/61/39/17/584613917.db2.gz KMPYIURANJVSTI-NWDGAFQWSA-N 2 0 270.377 -0.112 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892464805 584617058 /nfs/dbraw/zinc/61/70/58/584617058.db2.gz JZZNAGVWTFNKDM-HRDQMINSSA-N 2 0 284.404 -0.036 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000892562180 584618973 /nfs/dbraw/zinc/61/89/73/584618973.db2.gz BTONIIWEIYXIGR-PHIMTYICSA-N 2 0 263.345 -0.048 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000892567939 584619264 /nfs/dbraw/zinc/61/92/64/584619264.db2.gz ORMKYWFOCRPRLE-JHJVBQTASA-N 2 0 281.404 -0.587 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000892567938 584619382 /nfs/dbraw/zinc/61/93/82/584619382.db2.gz ORMKYWFOCRPRLE-AVGNSLFASA-N 2 0 281.404 -0.587 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892586590 584620086 /nfs/dbraw/zinc/62/00/86/584620086.db2.gz VKAULQIGOXSCEJ-XJFOESAGSA-N 2 0 296.415 -0.117 20 0 CBADRP CCC1([NH3+])CCN(C(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000892934847 584630002 /nfs/dbraw/zinc/63/00/02/584630002.db2.gz KZIKTDPDUGTSJJ-LBPRGKRZSA-N 2 0 284.404 -0.034 20 0 CBADRP C[NH+]1CCC(C[NH2+]C2CC(NS(C)(=O)=O)C2)CC1 ZINC000894265051 584654775 /nfs/dbraw/zinc/65/47/75/584654775.db2.gz SYDVBGGHJCRNPS-UHFFFAOYSA-N 2 0 275.418 -0.002 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000896260377 584694969 /nfs/dbraw/zinc/69/49/69/584694969.db2.gz YUPXYEUXLUORAQ-KBPBESRZSA-N 2 0 297.399 -0.456 20 0 CBADRP C[C@H](NC(=O)C1([NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896537447 584701553 /nfs/dbraw/zinc/70/15/53/584701553.db2.gz YWJCKPBIDFYJAG-RYUDHWBXSA-N 2 0 268.405 -0.169 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)N2CCN(C)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000896617781 584703988 /nfs/dbraw/zinc/70/39/88/584703988.db2.gz KADYEDBESCXMMB-KGLIPLIRSA-N 2 0 297.447 -0.032 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000897146301 584709121 /nfs/dbraw/zinc/70/91/21/584709121.db2.gz QBGZATKDBVOCQE-NEPJUHHUSA-N 2 0 252.362 -0.803 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000897469295 584717290 /nfs/dbraw/zinc/71/72/90/584717290.db2.gz HULKKQUEWUFJSH-OLZOCXBDSA-N 2 0 284.404 -0.306 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000897469294 584717304 /nfs/dbraw/zinc/71/73/04/584717304.db2.gz HULKKQUEWUFJSH-CHWSQXEVSA-N 2 0 284.404 -0.306 20 0 CBADRP CCN1CC[C@@H]1CNC(=O)C(=O)N[C@@H](C)Cn1ccnc1 ZINC000897490179 584717912 /nfs/dbraw/zinc/71/79/12/584717912.db2.gz WECYTOBXMNWARH-NWDGAFQWSA-N 2 0 293.371 -0.402 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000897495192 584718231 /nfs/dbraw/zinc/71/82/31/584718231.db2.gz SMNDTNYIUGEBTO-OCCSQVGLSA-N 2 0 284.404 -0.164 20 0 CBADRP C[N@@H+]1C[C@@H]2CCN(C(=O)C3C[NH+]([C@@H]4CCOC4)C3)[C@@H]2C1 ZINC000897825805 584725307 /nfs/dbraw/zinc/72/53/07/584725307.db2.gz PESHUDIQNVFFTK-IACUBPJLSA-N 2 0 279.384 -0.130 20 0 CBADRP CN1CCN(C(=S)NCC[NH+](C)C)CC[N@H+](C)CC1 ZINC000899653230 584762479 /nfs/dbraw/zinc/76/24/79/584762479.db2.gz PJFHUTJFBCGULU-UHFFFAOYSA-N 2 0 287.477 -0.398 20 0 CBADRP CN(C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000899909161 584784091 /nfs/dbraw/zinc/78/40/91/584784091.db2.gz LUQMKUYFDMYPQN-GXTWGEPZSA-N 2 0 269.389 -0.006 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000900221404 584795900 /nfs/dbraw/zinc/79/59/00/584795900.db2.gz PGQBYZMWFLZWRY-ZFWWWQNUSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900306605 584799378 /nfs/dbraw/zinc/79/93/78/584799378.db2.gz UOZKKLWRSPRTHE-MBNYWOFBSA-N 2 0 269.389 -0.101 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000900441816 584804353 /nfs/dbraw/zinc/80/43/53/584804353.db2.gz ODFQNKFLNZIEOU-GUIRCDHDSA-N 2 0 297.399 -0.579 20 0 CBADRP COCC[N@H+](C)CCNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000900519216 584809693 /nfs/dbraw/zinc/80/96/93/584809693.db2.gz WKOILTTWOSBFEK-AWEZNQCLSA-N 2 0 287.404 -0.472 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000900683721 584821385 /nfs/dbraw/zinc/82/13/85/584821385.db2.gz PSHYXHHJXIHSGI-QWHCGFSZSA-N 2 0 298.431 -0.160 20 0 CBADRP C[NH+](C)CCCCNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900691479 584822177 /nfs/dbraw/zinc/82/21/77/584822177.db2.gz YPHLVBZPYXDFBJ-AAEUAGOBSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000900696254 584822987 /nfs/dbraw/zinc/82/29/87/584822987.db2.gz UHXGFWCANUCRQS-VNHYZAJKSA-N 2 0 298.431 -0.806 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CCOCC1 ZINC000900714495 584824141 /nfs/dbraw/zinc/82/41/41/584824141.db2.gz SPEXOMVXWPJIQL-JSGCOSHPSA-N 2 0 299.415 -0.332 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000900756326 584825594 /nfs/dbraw/zinc/82/55/94/584825594.db2.gz SREPKJXFPZKSFZ-ZFWWWQNUSA-N 2 0 299.415 -0.596 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000900756321 584825603 /nfs/dbraw/zinc/82/56/03/584825603.db2.gz SREPKJXFPZKSFZ-DZGCQCFKSA-N 2 0 299.415 -0.596 20 0 CBADRP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)[C@@H]1C[NH+](C)CCN1C ZINC000900807994 584827978 /nfs/dbraw/zinc/82/79/78/584827978.db2.gz XVOPBKVBJMQNPA-ABHRYQDASA-N 2 0 298.431 -0.808 20 0 CBADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H]1C[N@H+](C)CCN1C ZINC000900812004 584828268 /nfs/dbraw/zinc/82/82/68/584828268.db2.gz QLMNFFWWMRCTNS-CHWSQXEVSA-N 2 0 268.405 -0.167 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000901327003 584861024 /nfs/dbraw/zinc/86/10/24/584861024.db2.gz JWIRVCTXMUTWKW-AAEUAGOBSA-N 2 0 257.378 -0.148 20 0 CBADRP C[NH+](C)CCOCCNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000901341431 584862027 /nfs/dbraw/zinc/86/20/27/584862027.db2.gz OCDUVNHCLJGJAS-AWEZNQCLSA-N 2 0 287.404 -0.472 20 0 CBADRP Cn1nnnc1CCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000902455651 584877078 /nfs/dbraw/zinc/87/70/78/584877078.db2.gz LUBNENUZFVUNBQ-STXZSOOUSA-N 2 0 262.361 -0.271 20 0 CBADRP O=C([C@@H]1CCCN(C[C@H]2CCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000903420915 584890101 /nfs/dbraw/zinc/89/01/01/584890101.db2.gz GEBQKYXDCJSUEC-ZIAGYGMSSA-N 3 0 280.416 -0.118 20 0 CBADRP CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903438674 584890285 /nfs/dbraw/zinc/89/02/85/584890285.db2.gz YQAJAIBYXFEWBC-FRRDWIJNSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000903453817 584890702 /nfs/dbraw/zinc/89/07/02/584890702.db2.gz MSZLUEVWXZJJNF-RDBSUJKOSA-N 3 0 252.406 -0.179 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)NCC(C)C)C2 ZINC000903490679 584891636 /nfs/dbraw/zinc/89/16/36/584891636.db2.gz CXGSPESPPKDKRA-ZOWXZIJZSA-N 2 0 297.399 -0.029 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)NC(C)C)C2 ZINC000903490678 584891648 /nfs/dbraw/zinc/89/16/48/584891648.db2.gz CUGSYFLLFNWWFC-WDMOLILDSA-N 2 0 283.372 -0.277 20 0 CBADRP Cc1nc([C@H]2CC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)no1 ZINC000903490729 584891680 /nfs/dbraw/zinc/89/16/80/584891680.db2.gz FUWNJGSLDAFXPI-LBPRGKRZSA-N 2 0 293.371 -0.011 20 0 CBADRP C[NH2+]C[C@](C)(O)CN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903513387 584892235 /nfs/dbraw/zinc/89/22/35/584892235.db2.gz KKGVZBRJFLPCBF-HLTSFMKQSA-N 2 0 255.284 -0.222 20 0 CBADRP CNS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903517628 584892243 /nfs/dbraw/zinc/89/22/43/584892243.db2.gz RFDPXYQQLQQKSN-TXEJJXNPSA-N 2 0 288.417 -0.649 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1CCC(=O)N1CC[NH2+]CC1 ZINC000903528361 584892511 /nfs/dbraw/zinc/89/25/11/584892511.db2.gz HREDUNQQTOUKNN-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)[C@@H]1CCC[NH2+]C1)C2 ZINC000903576485 584893842 /nfs/dbraw/zinc/89/38/42/584893842.db2.gz LMKLYYPHOWTMKH-FIQHERPVSA-N 2 0 273.402 -0.120 20 0 CBADRP CC[N@H+](CCC(N)=O)CCC(=O)N1CC[NH2+]CC1 ZINC000903577434 584893919 /nfs/dbraw/zinc/89/39/19/584893919.db2.gz KRAPKIZBSIFHON-UHFFFAOYSA-N 2 0 256.350 -0.994 20 0 CBADRP [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000903584647 584894056 /nfs/dbraw/zinc/89/40/56/584894056.db2.gz KVOIIWIEGPKUGW-SDDRHHMPSA-N 2 0 289.401 -0.882 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000903735129 584896546 /nfs/dbraw/zinc/89/65/46/584896546.db2.gz IBNJAIACZUDCMR-RYUDHWBXSA-N 2 0 296.415 -0.265 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903749719 584897394 /nfs/dbraw/zinc/89/73/94/584897394.db2.gz PKEAYMHUTZKBTA-IPYPFGDCSA-N 2 0 297.399 -0.408 20 0 CBADRP CN(C)C(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903756448 584897714 /nfs/dbraw/zinc/89/77/14/584897714.db2.gz RUGYCPYMYBTXDG-KCQAQPDRSA-N 2 0 296.415 -0.883 20 0 CBADRP CC(=O)N[C@@H]1CC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903768650 584898015 /nfs/dbraw/zinc/89/80/15/584898015.db2.gz OHZDIXBXQWIGEC-MCIONIFRSA-N 2 0 267.373 -0.035 20 0 CBADRP C[N@H+](CCOCC[NH3+])C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903769921 584898361 /nfs/dbraw/zinc/89/83/61/584898361.db2.gz RLPIBRBRIZVEDV-QWHCGFSZSA-N 3 0 257.378 -0.338 20 0 CBADRP C[N@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000903770041 584898409 /nfs/dbraw/zinc/89/84/09/584898409.db2.gz BNEGRQIUZZEHMC-GFQSEFKGSA-N 2 0 267.373 -0.049 20 0 CBADRP C[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000903770039 584898447 /nfs/dbraw/zinc/89/84/47/584898447.db2.gz BNEGRQIUZZEHMC-CZXHOFHRSA-N 2 0 267.373 -0.049 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000903780699 584899314 /nfs/dbraw/zinc/89/93/14/584899314.db2.gz BRASJXDWYJJOTD-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP CC(C)(C[NH3+])C1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000903788674 584899734 /nfs/dbraw/zinc/89/97/34/584899734.db2.gz DEKKAJFEXHWNFO-UHFFFAOYSA-N 2 0 296.415 -0.358 20 0 CBADRP CC[N@H+](CCC(N)=O)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903786209 584899740 /nfs/dbraw/zinc/89/97/40/584899740.db2.gz GGPIFJJDGMOGSB-WCQYABFASA-N 2 0 255.362 -0.048 20 0 CBADRP CN(C[C@@H]1CC2(C[NH2+]C2)CO1)C1(C[NH3+])CCOCC1 ZINC000903809766 584900527 /nfs/dbraw/zinc/90/05/27/584900527.db2.gz KXTNJYADVRRNDT-LBPRGKRZSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@](Cn1cccn1)([NH2+]CC[C@@H]1CC[NH2+]C1)C(N)=O ZINC000903829581 584901194 /nfs/dbraw/zinc/90/11/94/584901194.db2.gz HYVDHLHKLFFEFE-WCQYABFASA-N 2 0 265.361 -0.284 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCCCCNC(=O)CC2)C1 ZINC000903830057 584901240 /nfs/dbraw/zinc/90/12/40/584901240.db2.gz RQKLWTVAZMTJJC-SRVKXCTJSA-N 2 0 255.362 -0.171 20 0 CBADRP C[C@](Cn1cccn1)([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)C(N)=O ZINC000903829608 584901296 /nfs/dbraw/zinc/90/12/96/584901296.db2.gz IHQSTMAZMLENSB-DGCLKSJQSA-N 2 0 293.371 -0.762 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903837384 584901643 /nfs/dbraw/zinc/90/16/43/584901643.db2.gz JNGHPTOQAQRULO-OLZOCXBDSA-N 2 0 269.389 -0.325 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000903839449 584901746 /nfs/dbraw/zinc/90/17/46/584901746.db2.gz LCFOQGMPMGTIOJ-KBPBESRZSA-N 2 0 271.405 -0.247 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H]2CC[C@]21C[NH3+] ZINC000903864475 584902503 /nfs/dbraw/zinc/90/25/03/584902503.db2.gz VKRJHPDTPSARGK-RDBSUJKOSA-N 2 0 271.405 -0.261 20 0 CBADRP C[C@@H](C[NH3+])N(C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903874306 584902885 /nfs/dbraw/zinc/90/28/85/584902885.db2.gz XRLLREFDAXBJIA-QWRGUYRKSA-N 2 0 252.366 -0.018 20 0 CBADRP CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000903874313 584902925 /nfs/dbraw/zinc/90/29/25/584902925.db2.gz XUJLBHZQRRWPOG-NWDGAFQWSA-N 2 0 264.377 -0.004 20 0 CBADRP C[C@@H]1C[NH2+]CCN1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903874398 584903208 /nfs/dbraw/zinc/90/32/08/584903208.db2.gz ZXOZWOHLPOCNST-NEPJUHHUSA-N 2 0 264.377 -0.004 20 0 CBADRP C[C@H]1C(=O)NCCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903875665 584903241 /nfs/dbraw/zinc/90/32/41/584903241.db2.gz SQSVCLNPOOCPGL-OUCADQQQSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2CC[NH2+]C[C@H]2COC)CC1 ZINC000903876846 584903297 /nfs/dbraw/zinc/90/32/97/584903297.db2.gz NVUSVKVUZQIRBF-AWEZNQCLSA-N 2 0 298.431 -0.493 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903881797 584903715 /nfs/dbraw/zinc/90/37/15/584903715.db2.gz IVYRZDTWYMTKPQ-BFHYXJOUSA-N 2 0 269.389 -0.325 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000903881001 584903729 /nfs/dbraw/zinc/90/37/29/584903729.db2.gz AEIPMKKMBNYXTP-OLZOCXBDSA-N 2 0 257.378 -0.637 20 0 CBADRP c1nnn([C@H]2CCC[NH2+]C2)c1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903906688 584904485 /nfs/dbraw/zinc/90/44/85/584904485.db2.gz XVLKWLUTYDAVBH-XQQFMLRXSA-N 2 0 276.388 -0.146 20 0 CBADRP Cc1c(C[C@H](C[NH3+])C[N@H+](C)CCOCCO)cnn1C ZINC000903911174 584904550 /nfs/dbraw/zinc/90/45/50/584904550.db2.gz YCVRSLYXBJXYFT-CYBMUJFWSA-N 2 0 284.404 -0.213 20 0 CBADRP CN1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000903918227 584904575 /nfs/dbraw/zinc/90/45/75/584904575.db2.gz VLALRROOHOMQON-QWHCGFSZSA-N 2 0 293.419 -0.723 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903964124 584905115 /nfs/dbraw/zinc/90/51/15/584905115.db2.gz MKIPMQOPXSHGBY-NTZNESFSSA-N 2 0 264.377 -0.100 20 0 CBADRP CC(C)[C@H](C[NH3+])C[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000903970023 584905363 /nfs/dbraw/zinc/90/53/63/584905363.db2.gz OWTYDVLIODCSRL-VXGBXAGGSA-N 2 0 277.434 -0.416 20 0 CBADRP C[C@@]1(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)CC[NH2+]C1 ZINC000903970236 584905373 /nfs/dbraw/zinc/90/53/73/584905373.db2.gz SMWXWUVSLCKIJV-NEPJUHHUSA-N 2 0 275.418 -0.648 20 0 CBADRP C[C@@H]1C[C@@H](C[NH2+]CC[C@@H]2CNCCS2(=O)=O)CC[NH2+]1 ZINC000903970526 584905482 /nfs/dbraw/zinc/90/54/82/584905482.db2.gz YNIDDLCLELWLOA-FRRDWIJNSA-N 2 0 289.445 -0.259 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(C)(C)[NH3+])C2 ZINC000903977257 584905529 /nfs/dbraw/zinc/90/55/29/584905529.db2.gz MVCCICVRCHDMDT-CWSCBRNRSA-N 3 0 255.362 -0.064 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000959855754 614346636 /nfs/dbraw/zinc/34/66/36/614346636.db2.gz LBKCAHJGAKNSOO-RQJABVFESA-N 2 0 281.400 -0.102 20 0 CBADRP CC(C)N1CCO[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCO)C2)C1 ZINC000972170088 614363788 /nfs/dbraw/zinc/36/37/88/614363788.db2.gz YCZLTKAHRSGNOK-ZIAGYGMSSA-N 2 0 299.415 -0.379 20 0 CBADRP CCCCN1CCOC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969465149 615003381 /nfs/dbraw/zinc/00/33/81/615003381.db2.gz LWZPWYKXQHKMNC-KGLIPLIRSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000962759226 615115701 /nfs/dbraw/zinc/11/57/01/615115701.db2.gz ZLHNTZDFLMTGFR-RFQIPJPRSA-N 2 0 281.400 -0.101 20 0 CBADRP CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958593916 615421973 /nfs/dbraw/zinc/42/19/73/615421973.db2.gz CZLWPCQSINYIOL-NEPJUHHUSA-N 2 0 267.373 -0.489 20 0 CBADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC000970716394 615537977 /nfs/dbraw/zinc/53/79/77/615537977.db2.gz DAADZVHLRSAYIC-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC000970494251 615821642 /nfs/dbraw/zinc/82/16/42/615821642.db2.gz NQGTVGZWEHCYMD-NEPJUHHUSA-N 2 0 294.399 -0.463 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC000968907391 615840949 /nfs/dbraw/zinc/84/09/49/615840949.db2.gz LHACQOKTKXANIS-VXGBXAGGSA-N 2 0 294.399 -0.450 20 0 CBADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CCC([NH2+]CC(N)=O)CC1 ZINC000963157611 615855429 /nfs/dbraw/zinc/85/54/29/615855429.db2.gz PEGJBBXUYXFOGV-BPCQOVAHSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+](C)Cc1ccoc1C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000969735964 615956281 /nfs/dbraw/zinc/95/62/81/615956281.db2.gz PPZRYMWKGRLUSE-LLVKDONJSA-N 2 0 294.355 -0.369 20 0 CBADRP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCO)C1)C1CC1 ZINC000968915260 615987961 /nfs/dbraw/zinc/98/79/61/615987961.db2.gz FUGDDFZGCBWXSG-NEPJUHHUSA-N 2 0 255.362 -0.491 20 0 CBADRP C[N@H+](CCO)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000971201083 616113073 /nfs/dbraw/zinc/11/30/73/616113073.db2.gz LJKQIVIVBBBZCX-RYUDHWBXSA-N 2 0 255.362 -0.394 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CCO)C2 ZINC000981665675 616208747 /nfs/dbraw/zinc/20/87/47/616208747.db2.gz DQMUBSRGBVKYPV-ZDUSSCGKSA-N 2 0 281.400 -0.003 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC000970715304 616265274 /nfs/dbraw/zinc/26/52/74/616265274.db2.gz SJZHXXBQODSPJD-CHWSQXEVSA-N 2 0 292.387 -0.580 20 0 CBADRP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC000962555544 616469071 /nfs/dbraw/zinc/46/90/71/616469071.db2.gz QDLCOFWVMZTYCY-WUHRBBMRSA-N 2 0 267.373 -0.369 20 0 CBADRP C[C@@H](NS(=O)(=O)N1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000923665649 658388252 /nfs/dbraw/zinc/38/82/52/658388252.db2.gz GEBTXWWSTYYMHM-SNVBAGLBSA-N 2 0 276.406 -0.886 20 0 CBADRP Nc1cc[nH+]c(CNS(=O)(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000923674157 658395095 /nfs/dbraw/zinc/39/50/95/658395095.db2.gz NPWPKUMPUXKJEZ-NSHDSACASA-N 2 0 270.358 -0.165 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923673340 658395528 /nfs/dbraw/zinc/39/55/28/658395528.db2.gz JHYDILORGGLSRZ-IJLUTSLNSA-N 2 0 275.418 -0.097 20 0 CBADRP C[NH+](C)CC[C@H](NS(=O)(=O)C1C[NH2+]C1)c1cccnc1 ZINC000923677355 658396265 /nfs/dbraw/zinc/39/62/65/658396265.db2.gz UMFCPRKRMBXWLJ-ZDUSSCGKSA-N 2 0 298.412 -0.034 20 0 CBADRP [NH3+]CC(C[NH3+])NCC(=O)N(C1CC1)C1CCCC1 ZINC000923350928 658224693 /nfs/dbraw/zinc/22/46/93/658224693.db2.gz CDCDHHHTCKYDJM-UHFFFAOYSA-N 2 0 254.378 -0.204 20 0 CBADRP Cc1ccccc1CNC(=O)[C@@H](C)NC(C[NH3+])C[NH3+] ZINC000923351048 658225018 /nfs/dbraw/zinc/22/50/18/658225018.db2.gz FSNRUOYGIJCJRJ-LLVKDONJSA-N 2 0 264.373 -0.125 20 0 CBADRP Cc1ccc(CNC(=O)[C@@H](C)NC(C[NH3+])C[NH3+])cc1 ZINC000923352551 658225216 /nfs/dbraw/zinc/22/52/16/658225216.db2.gz OSSZZJJKJRGFOX-LLVKDONJSA-N 2 0 264.373 -0.125 20 0 CBADRP CCc1ccc(CNC(=O)CNC(C[NH3+])C[NH3+])s1 ZINC000923351306 658225259 /nfs/dbraw/zinc/22/52/59/658225259.db2.gz HHMJNHGDNHVNFY-UHFFFAOYSA-N 2 0 270.402 -0.198 20 0 CBADRP Cc1ccccc1CNC(=O)CNC(C[NH3+])C[NH3+] ZINC000923351480 658225531 /nfs/dbraw/zinc/22/55/31/658225531.db2.gz IRAVZDWECQGVIV-UHFFFAOYSA-N 2 0 250.346 -0.513 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923350965 658225583 /nfs/dbraw/zinc/22/55/83/658225583.db2.gz JNNQATZJOFOOOF-RYUDHWBXSA-N 2 0 283.372 -0.798 20 0 CBADRP CNC(=O)[C@@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)C(C)C ZINC000923379213 658245494 /nfs/dbraw/zinc/24/54/94/658245494.db2.gz NNKKMXKNVDLDAV-QWRGUYRKSA-N 2 0 255.362 -0.275 20 0 CBADRP C[C@@H]1CC[N@H+](CCN2C(=O)CN(C)C2=O)C[C@H]1C[NH3+] ZINC000923375654 658246833 /nfs/dbraw/zinc/24/68/33/658246833.db2.gz OMBWGDYPMSNMBL-GHMZBOCLSA-N 2 0 268.361 -0.203 20 0 CBADRP CC(C)OCC[C@@H](O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000923382776 658247187 /nfs/dbraw/zinc/24/71/87/658247187.db2.gz ULLSOHDGQIEQOL-GFCCVEGCSA-N 2 0 260.378 -0.052 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923485222 658305207 /nfs/dbraw/zinc/30/52/07/658305207.db2.gz QWSIWFBLTXSJJY-LLVKDONJSA-N 2 0 271.361 -0.321 20 0 CBADRP NS(=O)(=O)C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000923531088 658314123 /nfs/dbraw/zinc/31/41/23/658314123.db2.gz NTHFJFJRWKSOKQ-NWDGAFQWSA-N 2 0 275.418 -0.014 20 0 CBADRP NC(=O)C12CCC(CC1)[N@@H+]2CCN1CC[NH2+]CC1 ZINC000923530557 658315351 /nfs/dbraw/zinc/31/53/51/658315351.db2.gz GORNAXUJPHQKKB-UHFFFAOYSA-N 2 0 252.362 -0.626 20 0 CBADRP [NH3+]CCOCC[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000923527093 658316298 /nfs/dbraw/zinc/31/62/98/658316298.db2.gz XULDRRDOZGGJCC-LLVKDONJSA-N 2 0 257.334 -0.218 20 0 CBADRP O=S(=O)(NC[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000923566106 658327804 /nfs/dbraw/zinc/32/78/04/658327804.db2.gz IQZJEJQABIENOZ-MNOVXSKESA-N 2 0 261.391 -0.343 20 0 CBADRP O=S(=O)(NC[C@@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000923564962 658328525 /nfs/dbraw/zinc/32/85/25/658328525.db2.gz DALIXNPGCXFWTE-WDEREUQCSA-N 2 0 261.391 -0.200 20 0 CBADRP O=S(=O)(NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000923566105 658328541 /nfs/dbraw/zinc/32/85/41/658328541.db2.gz IQZJEJQABIENOZ-GHMZBOCLSA-N 2 0 261.391 -0.343 20 0 CBADRP [NH3+]C[C@H]1CCCCN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923565028 658329697 /nfs/dbraw/zinc/32/96/97/658329697.db2.gz DQXDFVGMEZIRQI-MNOVXSKESA-N 2 0 261.391 -0.119 20 0 CBADRP [NH3+]C1(CNS(=O)(=O)N2CC[NH2+]CC2)CCCCC1 ZINC000923563817 658329914 /nfs/dbraw/zinc/32/99/14/658329914.db2.gz PEROORAPVYITQU-UHFFFAOYSA-N 2 0 276.406 -0.612 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000923570731 658335201 /nfs/dbraw/zinc/33/52/01/658335201.db2.gz WEYFELNVMNTAMQ-GMTAPVOTSA-N 2 0 261.391 -0.263 20 0 CBADRP C[NH2+]C[C@@H]1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923569956 658335296 /nfs/dbraw/zinc/33/52/96/658335296.db2.gz ODDIYEJKPZZPHR-QWRGUYRKSA-N 2 0 261.391 -0.391 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923572758 658335319 /nfs/dbraw/zinc/33/53/19/658335319.db2.gz LGTUTPINDDNLCW-MNOVXSKESA-N 2 0 276.406 -0.804 20 0 CBADRP Cc1nccn1CCCCNS(=O)(=O)C1C[NH2+]C1 ZINC000923619083 658354881 /nfs/dbraw/zinc/35/48/81/658354881.db2.gz RSVWRWZTCHWXOF-UHFFFAOYSA-N 2 0 272.374 -0.137 20 0 CBADRP C[C@@H](NS(=O)(=O)C1C[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000923624498 658359194 /nfs/dbraw/zinc/35/91/94/658359194.db2.gz IXXYUGOSVKGXMF-SECBINFHSA-N 2 0 263.407 -0.146 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)C3C[NH2+]C3)C[C@@H]21 ZINC000923637823 658369369 /nfs/dbraw/zinc/36/93/69/658369369.db2.gz UQDPYVNHHCIWEQ-DVVUODLYSA-N 2 0 259.375 -0.653 20 0 CBADRP [NH3+]CC[C@@H](NS(=O)(=O)[C@@H]1CCC[NH2+]C1)C(F)F ZINC000923642675 658370504 /nfs/dbraw/zinc/37/05/04/658370504.db2.gz XRQUMXRYGGNCGG-HTQZYQBOSA-N 2 0 271.333 -0.360 20 0 CBADRP O=S(=O)(NC[C@H]1C[NH2+]CCCO1)[C@H]1CCC[NH2+]C1 ZINC000923643470 658371972 /nfs/dbraw/zinc/37/19/72/658371972.db2.gz CKSDDGBUKBLRJW-MNOVXSKESA-N 2 0 277.390 -0.964 20 0 CBADRP [NH3+]CC[C@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)C(F)F ZINC000923642690 658372033 /nfs/dbraw/zinc/37/20/33/658372033.db2.gz XRQUMXRYGGNCGG-YUMQZZPRSA-N 2 0 271.333 -0.360 20 0 CBADRP O=S(=O)(N[C@H]1CC[NH2+]C12CCCC2)N1CC[NH2+]CC1 ZINC000923656904 658381241 /nfs/dbraw/zinc/38/12/41/658381241.db2.gz VTSZMLVROFDGMT-NSHDSACASA-N 2 0 288.417 -0.599 20 0 CBADRP [NH3+]CCCOCCNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923664656 658387055 /nfs/dbraw/zinc/38/70/55/658387055.db2.gz ZSZUHGCIBGHANM-JTQLQIEISA-N 2 0 265.379 -0.977 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCN1C)C[NH+]1CCCC1 ZINC000929565170 659141531 /nfs/dbraw/zinc/14/15/31/659141531.db2.gz QCGSURJYUVFZED-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)NCC2(O)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000925326622 658826843 /nfs/dbraw/zinc/82/68/43/658826843.db2.gz YWXHLEUVENVWNV-NEPJUHHUSA-N 2 0 284.404 -0.165 20 0 CBADRP OCc1cn(CCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)nn1 ZINC000925669003 658864649 /nfs/dbraw/zinc/86/46/49/658864649.db2.gz NJYVWPIUJAOUAY-GOCOPAARSA-N 2 0 277.372 -0.254 20 0 CBADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000925788092 658871989 /nfs/dbraw/zinc/87/19/89/658871989.db2.gz FURASFPJQWGBGN-NEPJUHHUSA-N 2 0 277.434 -0.130 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1NCC[C@H]1CNCCS1(=O)=O ZINC000925792249 658872190 /nfs/dbraw/zinc/87/21/90/658872190.db2.gz VKVSBOPOUPRYGN-SDDRHHMPSA-N 2 0 275.418 -0.507 20 0 CBADRP CC1(C)C[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)C[C@@H]([NH3+])C1 ZINC000925855616 658874614 /nfs/dbraw/zinc/87/46/14/658874614.db2.gz DBDWYZFZVMTBEH-VWYCJHECSA-N 2 0 278.418 -0.113 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+]1C ZINC000928449325 659027043 /nfs/dbraw/zinc/02/70/43/659027043.db2.gz QCDDMKNDAWHFOK-AGIUHOORSA-N 2 0 296.415 -0.395 20 0 CBADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCS(N)(=O)=O)C[C@@H]2C1 ZINC000931436580 659463723 /nfs/dbraw/zinc/46/37/23/659463723.db2.gz TZABIEBMFUAQER-MNOVXSKESA-N 2 0 261.391 -0.452 20 0 CBADRP Cc1cc(N2CCC[N@H+](CCO)CC2)nc(N)[nH+]1 ZINC000034218906 656000130 /nfs/dbraw/zinc/00/01/30/656000130.db2.gz KOALMJBXKFHGCK-UHFFFAOYSA-N 2 0 251.334 -0.128 20 0 CBADRP C[NH+]1CCC(NS(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000037267806 656002468 /nfs/dbraw/zinc/00/24/68/656002468.db2.gz UUIHQVSUMYIZMB-LLVKDONJSA-N 2 0 261.391 -0.248 20 0 CBADRP C[NH+]1CCC(NS(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000037267808 656002660 /nfs/dbraw/zinc/00/26/60/656002660.db2.gz UUIHQVSUMYIZMB-NSHDSACASA-N 2 0 261.391 -0.248 20 0 CBADRP O=S(=O)(NCCC[NH+]1CCCCC1)N1CC[NH2+]CC1 ZINC000040862045 656005940 /nfs/dbraw/zinc/00/59/40/656005940.db2.gz QDUPKATXBWOALH-UHFFFAOYSA-N 2 0 290.433 -0.398 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)[NH+]1CCCCC1 ZINC000043799585 656008948 /nfs/dbraw/zinc/00/89/48/656008948.db2.gz NREKQHYEWACOTK-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP C[N@H+](CCNS(=O)(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000062010817 656032797 /nfs/dbraw/zinc/03/27/97/656032797.db2.gz NESALIJVHOVBAL-NSHDSACASA-N 2 0 261.391 -0.248 20 0 CBADRP Cc1cc(N2CC[NH+](C[C@@H](C)O)CC2)nc(N)[nH+]1 ZINC000071856503 656042335 /nfs/dbraw/zinc/04/23/35/656042335.db2.gz NCHMLNWFNHTINB-SNVBAGLBSA-N 2 0 251.334 -0.130 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC[NH2+]CC1 ZINC000091668583 656058741 /nfs/dbraw/zinc/05/87/41/656058741.db2.gz OCCUYDGQRPMBBO-CHWSQXEVSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(C[NH2+]C1CC1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668833 656058855 /nfs/dbraw/zinc/05/88/55/656058855.db2.gz YNUIWWWBAQKRCL-VXGBXAGGSA-N 2 0 253.346 -0.282 20 0 CBADRP CC(C)[NH2+]CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668304 656059187 /nfs/dbraw/zinc/05/91/87/656059187.db2.gz ROVZDHFQGUTCGL-NEPJUHHUSA-N 2 0 255.362 -0.036 20 0 CBADRP O=C(C[NH2+]C1CC1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000091668835 656059239 /nfs/dbraw/zinc/05/92/39/656059239.db2.gz YNUIWWWBAQKRCL-NWDGAFQWSA-N 2 0 253.346 -0.282 20 0 CBADRP C[C@@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@H](C)[NH2+]1 ZINC000188185565 656096440 /nfs/dbraw/zinc/09/64/40/656096440.db2.gz ROFKMEVEYDOYNA-DTORHVGOSA-N 2 0 263.345 -0.122 20 0 CBADRP C[N@H+](CCCCCCO)CC(=O)N1CC[NH2+]CC1 ZINC000226418854 656107429 /nfs/dbraw/zinc/10/74/29/656107429.db2.gz MYAIGXJSQVSINX-UHFFFAOYSA-N 2 0 257.378 -0.097 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000228533177 656109739 /nfs/dbraw/zinc/10/97/39/656109739.db2.gz JSLVLEFFWBPRQF-NWDGAFQWSA-N 2 0 254.378 -0.524 20 0 CBADRP COC(=O)N[C@H]1CC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000228270516 656109836 /nfs/dbraw/zinc/10/98/36/656109836.db2.gz GZZJUZZUCBVOTB-NSHDSACASA-N 2 0 256.350 -0.678 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000232122309 656113603 /nfs/dbraw/zinc/11/36/03/656113603.db2.gz KSPAEKJXLRDOKD-WOPDTQHZSA-N 2 0 271.361 -0.670 20 0 CBADRP CNC(=O)[C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000232289068 656113639 /nfs/dbraw/zinc/11/36/39/656113639.db2.gz MREPOWGNZQWMKU-LBPRGKRZSA-N 2 0 282.388 -0.734 20 0 CBADRP O=C(NC[C@@H]1CCCN([C@H]2CCOC2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000250990276 656122485 /nfs/dbraw/zinc/12/24/85/656122485.db2.gz CIPVYKKXZCJWFL-AVGNSLFASA-N 2 0 295.383 -0.118 20 0 CBADRP C[C@H]1C[N@H+](CC(=O)N2CCOCC2)CC[C@H]1C[NH3+] ZINC000251768664 656122543 /nfs/dbraw/zinc/12/25/43/656122543.db2.gz MFZNCADMCQOQMV-RYUDHWBXSA-N 2 0 255.362 -0.238 20 0 CBADRP CC(C)(C[NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252545949 656123148 /nfs/dbraw/zinc/12/31/48/656123148.db2.gz JYSICTHSVXUPOG-WDEREUQCSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@]1(CN(CCO)CCN2CCOCC2)CC[NH2+]C1 ZINC000261898332 656126922 /nfs/dbraw/zinc/12/69/22/656126922.db2.gz VMUQUSRQAOHRCV-CQSZACIVSA-N 2 0 271.405 -0.388 20 0 CBADRP CCCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[C@@H]1CC[NH2+]C1 ZINC000262024500 656128188 /nfs/dbraw/zinc/12/81/88/656128188.db2.gz GKNHKBNIFCQECW-YPMHNXCESA-N 2 0 284.404 -0.314 20 0 CBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000306081370 656142230 /nfs/dbraw/zinc/14/22/30/656142230.db2.gz IIFONGNEVZBLHM-CHWSQXEVSA-N 2 0 258.362 -0.304 20 0 CBADRP O[C@@H](C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)C(F)(F)F ZINC000310750217 656144086 /nfs/dbraw/zinc/14/40/86/656144086.db2.gz KSLVKRJXAXNPIT-UWVGGRQHSA-N 2 0 267.295 -0.111 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000311025516 656144740 /nfs/dbraw/zinc/14/47/40/656144740.db2.gz MLGDABFEZULGIQ-AVGNSLFASA-N 2 0 259.394 -0.405 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000311025519 656145178 /nfs/dbraw/zinc/14/51/78/656145178.db2.gz MLGDABFEZULGIQ-UPJWGTAASA-N 2 0 259.394 -0.405 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CCCC[C@H]1C[NH3+] ZINC000311183501 656145657 /nfs/dbraw/zinc/14/56/57/656145657.db2.gz ZYXDVRMQXZWBAB-QWHCGFSZSA-N 2 0 259.394 -0.261 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000311752067 656146369 /nfs/dbraw/zinc/14/63/69/656146369.db2.gz VBYIZVACTFDCOD-IHRRRGAJSA-N 2 0 273.421 -0.015 20 0 CBADRP [NH3+]C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)CCCO1 ZINC000313342610 656147646 /nfs/dbraw/zinc/14/76/46/656147646.db2.gz GTYICFXMLCJACI-CHWSQXEVSA-N 2 0 257.378 -0.507 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000418947447 656166931 /nfs/dbraw/zinc/16/69/31/656166931.db2.gz PQXGANHVGHXEIL-VHSXEESVSA-N 2 0 258.366 -0.704 20 0 CBADRP CCO[C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000701713665 656179695 /nfs/dbraw/zinc/17/96/95/656179695.db2.gz DPDJAPIHKAQKSH-LBPRGKRZSA-N 2 0 255.362 -0.081 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000702421349 656180849 /nfs/dbraw/zinc/18/08/49/656180849.db2.gz OGMMMIGQRIWVDT-JQWIXIFHSA-N 2 0 254.378 -0.524 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000702588971 656182141 /nfs/dbraw/zinc/18/21/41/656182141.db2.gz BHAIQARUIHCZAJ-SOUVJXGZSA-N 2 0 285.432 -0.143 20 0 CBADRP CS(=O)(=O)N[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000702951251 656182409 /nfs/dbraw/zinc/18/24/09/656182409.db2.gz BATYYCMSZAVHOJ-AXFHLTTASA-N 2 0 261.391 -0.263 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC(C)([NH3+])CC1 ZINC000704513838 656184414 /nfs/dbraw/zinc/18/44/14/656184414.db2.gz WIAIZQASOMQKPW-GFCCVEGCSA-N 2 0 259.394 -0.261 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)C[C@H]1C[NH+](C)C ZINC000705884555 656187380 /nfs/dbraw/zinc/18/73/80/656187380.db2.gz ODFYYZWVUIWNJH-AAVRWANBSA-N 3 0 282.432 -0.079 20 0 CBADRP C[NH2+]CCOCCN(C)C[C@H](O)C[NH+]1CCCC1 ZINC000706611067 656188059 /nfs/dbraw/zinc/18/80/59/656188059.db2.gz HSRPNGKQSBARFE-ZDUSSCGKSA-N 2 0 259.394 -0.389 20 0 CBADRP CC[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000707966059 656191176 /nfs/dbraw/zinc/19/11/76/656191176.db2.gz KRGSHRXXCBEITG-IJLUTSLNSA-N 2 0 255.362 -0.036 20 0 CBADRP C[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CCO)C2)CC1 ZINC000708584966 656194163 /nfs/dbraw/zinc/19/41/63/656194163.db2.gz FMNIXBXBALNDTO-ZDUSSCGKSA-N 2 0 269.389 -0.099 20 0 CBADRP O=C(CCC1C[NH2+]C1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000709443191 656195761 /nfs/dbraw/zinc/19/57/61/656195761.db2.gz CDWPVGJZHNEUMB-OLZOCXBDSA-N 2 0 267.373 -0.035 20 0 CBADRP CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@@H](CO)[C@H]1CO ZINC000709832801 656196311 /nfs/dbraw/zinc/19/63/11/656196311.db2.gz QQYWQEBOHJFLSH-BFHYXJOUSA-N 2 0 274.405 -0.247 20 0 CBADRP CN(C)S(=O)(=O)CCN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709827377 656196502 /nfs/dbraw/zinc/19/65/02/656196502.db2.gz KNGLOIJQZQZQRI-LBPRGKRZSA-N 2 0 275.418 -0.047 20 0 CBADRP COC(=O)[C@](C)(O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710607307 656199345 /nfs/dbraw/zinc/19/93/45/656199345.db2.gz OMRNHYKYYJSADH-GFCCVEGCSA-N 2 0 274.361 -0.701 20 0 CBADRP CN(C(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1)C1CC1 ZINC000710657613 656199416 /nfs/dbraw/zinc/19/94/16/656199416.db2.gz IJPIVSYHRPCUGZ-UHFFFAOYSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@H](C(=O)N(C)C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710627305 656199499 /nfs/dbraw/zinc/19/94/99/656199499.db2.gz PZABOJVZMQESFG-LLVKDONJSA-N 2 0 257.378 -0.148 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H]2CCC[N@H+](C)C2)C[NH2+]CCO1 ZINC000710784206 656201170 /nfs/dbraw/zinc/20/11/70/656201170.db2.gz PVFRQJWTUUJHME-JSGCOSHPSA-N 2 0 285.388 -0.551 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H]2CCC[N@H+](C)C2)C[NH2+]CCO1 ZINC000710784209 656201889 /nfs/dbraw/zinc/20/18/89/656201889.db2.gz PVFRQJWTUUJHME-TZMCWYRMSA-N 2 0 285.388 -0.551 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000711318065 656207068 /nfs/dbraw/zinc/20/70/68/656207068.db2.gz SZOMQQROGWQOLF-LBPRGKRZSA-N 2 0 268.405 -0.404 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712627622 656211513 /nfs/dbraw/zinc/21/15/13/656211513.db2.gz VNVYSGRXHRTEEL-NSHDSACASA-N 2 0 256.394 -0.182 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715157244 656219059 /nfs/dbraw/zinc/21/90/59/656219059.db2.gz WWERKXFKBMOPTR-IUCAKERBSA-N 2 0 265.304 -0.479 20 0 CBADRP CS(=O)(=O)N[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000718012989 656231624 /nfs/dbraw/zinc/23/16/24/656231624.db2.gz IBKDMFCPAJJKOP-VWYCJHECSA-N 2 0 261.391 -0.263 20 0 CBADRP C[C@H](CCNC(=O)c1c(C[NH3+])cnn1C)[NH+](C)C ZINC000719265795 656234939 /nfs/dbraw/zinc/23/49/39/656234939.db2.gz PBSXSBTWSTXGPN-SECBINFHSA-N 2 0 253.350 -0.051 20 0 CBADRP C[NH+]1CCC2(CCN(C(=O)C3(O)C[NH2+]C3)CC2)CC1 ZINC000877192604 656245778 /nfs/dbraw/zinc/24/57/78/656245778.db2.gz PTWJIIQDCBXYHU-UHFFFAOYSA-N 2 0 267.373 -0.345 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCCC[NH2+]1 ZINC000877242070 656246159 /nfs/dbraw/zinc/24/61/59/656246159.db2.gz BKPSMRVTRGEJQH-LOWVWBTDSA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877399657 656247249 /nfs/dbraw/zinc/24/72/49/656247249.db2.gz OMSPJCQLMSHVRY-WZRBSPASSA-N 2 0 253.346 -0.234 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)C1 ZINC000884787517 656254867 /nfs/dbraw/zinc/25/48/67/656254867.db2.gz UWNSOVKUIHZVLR-TUAOUCFPSA-N 2 0 282.388 -0.465 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])C1 ZINC000884787537 656255241 /nfs/dbraw/zinc/25/52/41/656255241.db2.gz VFDJIHIZIQUOFG-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000884787562 656255374 /nfs/dbraw/zinc/25/53/74/656255374.db2.gz VOFXGBJJECVHFP-WOPDTQHZSA-N 2 0 280.372 -0.840 20 0 CBADRP CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000890066187 656270042 /nfs/dbraw/zinc/27/00/42/656270042.db2.gz QFZXSDFJIOATAI-AAEUAGOBSA-N 2 0 272.393 -0.308 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N2C3CCC2(C[NH3+])CC3)CCO1 ZINC000892455533 656271254 /nfs/dbraw/zinc/27/12/54/656271254.db2.gz FGMGVJQHVNHDTH-QWKFWESOSA-N 2 0 268.361 -0.278 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)N2C3CCC2(C[NH3+])CC3)CCO1 ZINC000892455532 656271506 /nfs/dbraw/zinc/27/15/06/656271506.db2.gz FGMGVJQHVNHDTH-AKJDGMEZSA-N 2 0 268.361 -0.278 20 0 CBADRP C[NH+](C)CC[C@](C)(O)CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897440157 656292917 /nfs/dbraw/zinc/29/29/17/656292917.db2.gz NWAUVNPSOUIWCZ-HIFRSBDPSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CCN1C ZINC000900846585 656313422 /nfs/dbraw/zinc/31/34/22/656313422.db2.gz IGIFQSWEZRGSTH-MDZLAQPJSA-N 2 0 255.362 -0.396 20 0 CBADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)C1 ZINC000902403005 656319180 /nfs/dbraw/zinc/31/91/80/656319180.db2.gz GDLJHSWYMHLJND-WDEREUQCSA-N 2 0 278.418 -0.240 20 0 CBADRP CN(C)C(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507220 656321808 /nfs/dbraw/zinc/32/18/08/656321808.db2.gz RTKJDUOTQHDPQT-OKILXGFUSA-N 2 0 280.416 -0.025 20 0 CBADRP NC(=O)NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903506587 656321923 /nfs/dbraw/zinc/32/19/23/656321923.db2.gz BQPICLUCXJPQNL-TXEJJXNPSA-N 2 0 295.387 -0.918 20 0 CBADRP CN(C[C@H](O)C[NH3+])C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903752418 656322126 /nfs/dbraw/zinc/32/21/26/656322126.db2.gz SHHDCZYUZBATCW-VXGBXAGGSA-N 2 0 257.378 -0.604 20 0 CBADRP CN(C[C@@H](O)C[NH3+])C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903752415 656322136 /nfs/dbraw/zinc/32/21/36/656322136.db2.gz SHHDCZYUZBATCW-NWDGAFQWSA-N 2 0 257.378 -0.604 20 0 CBADRP C[C@H](C(N)=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903506612 656322296 /nfs/dbraw/zinc/32/22/96/656322296.db2.gz CBKVIUNJQCOAEM-RTXFEEFZSA-N 2 0 266.389 -0.239 20 0 CBADRP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343239 656324832 /nfs/dbraw/zinc/32/48/32/656324832.db2.gz RAHPURVZDNSUBA-OUAUKWLOSA-N 2 0 261.391 -0.263 20 0 CBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904346755 656325001 /nfs/dbraw/zinc/32/50/01/656325001.db2.gz WPHUCZYZMNXPOQ-OKILXGFUSA-N 2 0 298.431 -0.554 20 0 CBADRP CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904329719 656325525 /nfs/dbraw/zinc/32/55/25/656325525.db2.gz RTQKSAIDHXFACE-AXFHLTTASA-N 2 0 261.391 -0.263 20 0 CBADRP C[C@]1(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)CCC[NH2+]C1 ZINC000904388410 656325923 /nfs/dbraw/zinc/32/59/23/656325923.db2.gz IZISYDOQXLYRLT-OLZOCXBDSA-N 2 0 289.445 -0.258 20 0 CBADRP C[C@]1(C[NH2+]CC[C@H]2CNCCS2(=O)=O)CCC[NH2+]C1 ZINC000904388412 656326052 /nfs/dbraw/zinc/32/60/52/656326052.db2.gz IZISYDOQXLYRLT-STQMWFEESA-N 2 0 289.445 -0.258 20 0 CBADRP c1nc2cnccn2c1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396261 656326067 /nfs/dbraw/zinc/32/60/67/656326067.db2.gz DQACERQXYAXDMR-UHFFFAOYSA-N 2 0 260.345 -0.276 20 0 CBADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000904385417 656326271 /nfs/dbraw/zinc/32/62/71/656326271.db2.gz YFFBOEPETLNUQI-MLGHIDQZSA-N 3 0 280.372 -0.409 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000904420454 656326420 /nfs/dbraw/zinc/32/64/20/656326420.db2.gz OZARZRXPDXTKMA-MELADBBJSA-N 3 0 280.416 -0.275 20 0 CBADRP C[C@@H]1C[C@H](C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)CC[NH2+]1 ZINC000904433928 656327780 /nfs/dbraw/zinc/32/77/80/656327780.db2.gz QWNTYEZOHNTVMV-UTUOFQBUSA-N 2 0 288.417 -0.791 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000904958005 656330785 /nfs/dbraw/zinc/33/07/85/656330785.db2.gz CRICDVJISMJYOW-LBPRGKRZSA-N 2 0 298.431 -0.160 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC000904959130 656330810 /nfs/dbraw/zinc/33/08/10/656330810.db2.gz KKBOAWSFNHAJKA-LBPRGKRZSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C[C@H]1[NH3+] ZINC000904964179 656331110 /nfs/dbraw/zinc/33/11/10/656331110.db2.gz KWUQLVOMMLPKQQ-NWJSVONSSA-N 2 0 294.399 -0.798 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC[NH2+]1 ZINC000904962427 656331180 /nfs/dbraw/zinc/33/11/80/656331180.db2.gz COBKLJWRQDHVCB-TYNCELHUSA-N 2 0 294.399 -0.783 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000904962770 656331396 /nfs/dbraw/zinc/33/13/96/656331396.db2.gz DJXOHGRIJAZQHF-UHFFFAOYSA-N 2 0 286.420 -0.290 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000905001994 656332451 /nfs/dbraw/zinc/33/24/51/656332451.db2.gz RNVBXDSNLFKFQH-BXUZGUMPSA-N 2 0 282.388 -0.654 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000905002640 656332492 /nfs/dbraw/zinc/33/24/92/656332492.db2.gz UIJNAJULASIROG-DOMZBBRYSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@H](C[NH2+]C[C@H](O)C1(O)CCC1)CN1CC[NH+](C)CC1 ZINC000905111484 656339796 /nfs/dbraw/zinc/33/97/96/656339796.db2.gz SCBZKSMZKKIDKB-KGLIPLIRSA-N 2 0 285.432 -0.265 20 0 CBADRP CC[NH2+]CCCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905330213 656349485 /nfs/dbraw/zinc/34/94/85/656349485.db2.gz PXIGNLKXLZEFAS-UHFFFAOYSA-N 2 0 263.407 -0.095 20 0 CBADRP CC1(C)C[NH2+]CCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905331242 656349929 /nfs/dbraw/zinc/34/99/29/656349929.db2.gz ZBZJYPQILUDWOI-UHFFFAOYSA-N 2 0 275.418 0.000 20 0 CBADRP CN([C@H](C[NH3+])C1CC1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905343583 656350410 /nfs/dbraw/zinc/35/04/10/656350410.db2.gz JXCWGHBHTMJBIX-GFCCVEGCSA-N 2 0 275.418 -0.015 20 0 CBADRP CN(C)C[C@H](O)C[NH2+]C[C@@H](O)C[C@H](O)c1ccccc1 ZINC000905345100 656351065 /nfs/dbraw/zinc/35/10/65/656351065.db2.gz LIAKGMSFVCPUJO-ZNMIVQPWSA-N 2 0 282.384 -0.017 20 0 CBADRP CC1(C)[NH2+]CC[C@@H]1NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000905356382 656353317 /nfs/dbraw/zinc/35/33/17/656353317.db2.gz ATMFUENTUZTVFN-ZJUUUORDSA-N 2 0 277.390 -0.965 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NCC[NH+]2CCCC2)C1 ZINC000905380383 656355404 /nfs/dbraw/zinc/35/54/04/656355404.db2.gz KYCVMVVBZZROCL-UHFFFAOYSA-N 2 0 268.405 -0.308 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000905450188 656357583 /nfs/dbraw/zinc/35/75/83/656357583.db2.gz GUYHDAFJWHYCGZ-KBPBESRZSA-N 2 0 283.416 -0.104 20 0 CBADRP C[C@@H]1[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CCN1C ZINC000905539280 656360701 /nfs/dbraw/zinc/36/07/01/656360701.db2.gz CLIWAGXBKBTCSB-RDBSUJKOSA-N 2 0 270.421 -0.723 20 0 CBADRP C[C@@H]1[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CCN1C ZINC000905539277 656360743 /nfs/dbraw/zinc/36/07/43/656360743.db2.gz CLIWAGXBKBTCSB-HZSPNIEDSA-N 2 0 270.421 -0.723 20 0 CBADRP COC(=O)/C(C)=C/C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000905531522 656360758 /nfs/dbraw/zinc/36/07/58/656360758.db2.gz BGBLBISXTMJVLI-YKAQBRKTSA-N 2 0 285.388 -0.696 20 0 CBADRP Cn1nnc2c1C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CC2 ZINC000905633957 656364486 /nfs/dbraw/zinc/36/44/86/656364486.db2.gz OYJVVBXYKDJYAH-NWDGAFQWSA-N 2 0 279.388 -0.281 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NC[C@@H]2CC[NH+](C)C2)C1 ZINC000906358358 656385149 /nfs/dbraw/zinc/38/51/49/656385149.db2.gz HMKUYPSDZCOZHN-LBPRGKRZSA-N 2 0 268.405 -0.452 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NC[C@@H](C2CC2)[NH+](C)C)C1 ZINC000906339445 656385559 /nfs/dbraw/zinc/38/55/59/656385559.db2.gz UFSDDYWKQFMPHE-AWEZNQCLSA-N 2 0 282.432 -0.064 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NCC[NH+](C)C2CC2)C1 ZINC000906403375 656385969 /nfs/dbraw/zinc/38/59/69/656385969.db2.gz AJFLTXBSNYGMSC-UHFFFAOYSA-N 2 0 268.405 -0.310 20 0 CBADRP [NH3+][C@H]1C[C@H](NCc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000906518497 656389905 /nfs/dbraw/zinc/38/99/05/656389905.db2.gz QHRKIPKMFHDBRX-DCAQKATOSA-N 2 0 250.350 -0.218 20 0 CBADRP CN1C(=O)CCC[C@H]1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000906580414 656392472 /nfs/dbraw/zinc/39/24/72/656392472.db2.gz NGAPCDAEAAWDRJ-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000906583106 656392956 /nfs/dbraw/zinc/39/29/56/656392956.db2.gz BSZXYNOHAKUTNA-ZDUSSCGKSA-N 2 0 268.405 -0.310 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000906677144 656396485 /nfs/dbraw/zinc/39/64/85/656396485.db2.gz UZXIPQBKHDPABO-ZDUSSCGKSA-N 2 0 268.405 -0.310 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NC[C@H]2CCC[NH+]2C)C1 ZINC000906677143 656396538 /nfs/dbraw/zinc/39/65/38/656396538.db2.gz UZXIPQBKHDPABO-CYBMUJFWSA-N 2 0 268.405 -0.310 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996464589 656414344 /nfs/dbraw/zinc/41/43/44/656414344.db2.gz NYHHAHRKKJGQEN-CYBMUJFWSA-N 2 0 296.415 -0.075 20 0 CBADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCO ZINC000996521389 656417062 /nfs/dbraw/zinc/41/70/62/656417062.db2.gz RZLAZDDOQXSRPJ-GFCCVEGCSA-N 2 0 281.400 -0.099 20 0 CBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]CCO)CC1 ZINC000996562138 656419745 /nfs/dbraw/zinc/41/97/45/656419745.db2.gz UPAONHHVIQWJBK-AWEZNQCLSA-N 2 0 281.400 -0.099 20 0 CBADRP C[C@H](NC(=O)C1CN(C)CC[N@H+](C)C1)[C@@H]1CN(C)CCO1 ZINC000907071393 656420624 /nfs/dbraw/zinc/42/06/24/656420624.db2.gz QMTZPAFJERGRAT-JSGCOSHPSA-N 2 0 298.431 -0.685 20 0 CBADRP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]CC(N)=O ZINC000996611676 656447672 /nfs/dbraw/zinc/44/76/72/656447672.db2.gz NOOJOQLXWAUELB-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(N)=O)CC2)CC[N@@H+]1C ZINC000996605069 656447538 /nfs/dbraw/zinc/44/75/38/656447538.db2.gz AFIHVBIAJWDPQZ-ZYHUDNBSSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@H]([NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1)C(N)=O ZINC000996679104 656451939 /nfs/dbraw/zinc/45/19/39/656451939.db2.gz PXWQTQWEJCNNHI-GWCFXTLKSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1)C(N)=O ZINC000996997070 656463876 /nfs/dbraw/zinc/46/38/76/656463876.db2.gz DZBGAFPVZDGQMJ-NEPJUHHUSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997299515 656471656 /nfs/dbraw/zinc/47/16/56/656471656.db2.gz OTVWKGGLTYDZEQ-NEPJUHHUSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[C@H]([NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC000997297378 656471882 /nfs/dbraw/zinc/47/18/82/656471882.db2.gz FRGDVZUDEUSHOZ-AAEUAGOBSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC000997299607 656472092 /nfs/dbraw/zinc/47/20/92/656472092.db2.gz PYDUPEKIBMPOCR-MNOVXSKESA-N 2 0 282.388 -0.608 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC([NH2+]CCO)CC1 ZINC000997307003 656472482 /nfs/dbraw/zinc/47/24/82/656472482.db2.gz KMQRGRMZYFHCQW-UHFFFAOYSA-N 2 0 255.362 -0.345 20 0 CBADRP C[NH+]1CC2(C1)CCN(C(=O)C1C[NH+]([C@H]3CCOC3)C1)C2 ZINC000907764403 656571492 /nfs/dbraw/zinc/57/14/92/656571492.db2.gz SACFHNJBVWYXLQ-ZDUSSCGKSA-N 2 0 279.384 -0.129 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)C[C@]3(O)CCC[NH+](C)C3)C[C@H]2C1 ZINC000907805200 656581910 /nfs/dbraw/zinc/58/19/10/656581910.db2.gz PGUGHDIXBCJDCY-VNHYZAJKSA-N 2 0 281.400 -0.147 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCN1CC=CCC1 ZINC000907887617 656604488 /nfs/dbraw/zinc/60/44/88/656604488.db2.gz PVUQYBVTPMIHPN-JSGCOSHPSA-N 2 0 267.373 -0.180 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999168498 656613979 /nfs/dbraw/zinc/61/39/79/656613979.db2.gz BSBKSXRQNZJLFA-CHWSQXEVSA-N 2 0 294.399 -0.606 20 0 CBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000999175035 656614341 /nfs/dbraw/zinc/61/43/41/656614341.db2.gz SMXUNHSUKRQLHE-KGLIPLIRSA-N 2 0 281.400 -0.099 20 0 CBADRP NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999168500 656614487 /nfs/dbraw/zinc/61/44/87/656614487.db2.gz BSBKSXRQNZJLFA-QWHCGFSZSA-N 2 0 294.399 -0.606 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC000999189574 656615752 /nfs/dbraw/zinc/61/57/52/656615752.db2.gz LOLGKJNWQCBMFV-IJLUTSLNSA-N 2 0 282.388 -0.608 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000999301882 656621149 /nfs/dbraw/zinc/62/11/49/656621149.db2.gz DMYZFHSLBGZDTH-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000999301885 656621277 /nfs/dbraw/zinc/62/12/77/656621277.db2.gz DMYZFHSLBGZDTH-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)C12CC[NH+](CC1)C2 ZINC000908030544 656628041 /nfs/dbraw/zinc/62/80/41/656628041.db2.gz XVVFDLWFHMUAIR-ZDUSSCGKSA-N 2 0 278.400 -0.412 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000999404122 656628295 /nfs/dbraw/zinc/62/82/95/656628295.db2.gz ZELNDKUAQNQACI-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]CC(N)=O)C2)C1 ZINC000999409822 656628536 /nfs/dbraw/zinc/62/85/36/656628536.db2.gz TUGXBGNAQWPNGI-UNXYVOJBSA-N 2 0 282.388 -0.608 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000999404120 656628643 /nfs/dbraw/zinc/62/86/43/656628643.db2.gz ZELNDKUAQNQACI-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]CCO)C1 ZINC000999687781 656645812 /nfs/dbraw/zinc/64/58/12/656645812.db2.gz JWGIBDNUBWQCMF-HIFPTAJRSA-N 2 0 269.389 -0.101 20 0 CBADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+][C@H]2CCNC2=O)C1 ZINC000999832301 656656685 /nfs/dbraw/zinc/65/66/85/656656685.db2.gz CPLFEQYLXLFNSA-BPCQOVAHSA-N 2 0 294.399 -0.450 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC000908204309 656670600 /nfs/dbraw/zinc/67/06/00/656670600.db2.gz GOMMFQDNAJLQKZ-CQSZACIVSA-N 2 0 298.431 -0.947 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2CC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC000908346880 656710844 /nfs/dbraw/zinc/71/08/44/656710844.db2.gz IMNSCJNVTKAEHI-GXTWGEPZSA-N 2 0 280.416 -0.358 20 0 CBADRP CC1CC[NH+](CC(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001000531041 656733353 /nfs/dbraw/zinc/73/33/53/656733353.db2.gz JOHFAMSTCBJVDA-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001000917759 656774130 /nfs/dbraw/zinc/77/41/30/656774130.db2.gz MHPROOIBWHSXPB-GHMZBOCLSA-N 2 0 268.361 -0.996 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001000918407 656774256 /nfs/dbraw/zinc/77/42/56/656774256.db2.gz DZDPUFJCHUGGKA-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001000931017 656775396 /nfs/dbraw/zinc/77/53/96/656775396.db2.gz ANTXSOVLXBZEQZ-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001000937216 656777130 /nfs/dbraw/zinc/77/71/30/656777130.db2.gz SSAXZPIUDXQPMN-LBPRGKRZSA-N 2 0 255.362 -0.345 20 0 CBADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)C[C@H]21 ZINC000909146153 656785460 /nfs/dbraw/zinc/78/54/60/656785460.db2.gz OOADWPXKVBDQAA-VXUPGSCNSA-N 2 0 267.373 -0.540 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000909273711 656804449 /nfs/dbraw/zinc/80/44/49/656804449.db2.gz WBIXGJCUMAOXJF-UHFFFAOYSA-N 2 0 298.431 -0.947 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NC(C)(C)C[NH+](C)C)C1 ZINC000909561003 656817350 /nfs/dbraw/zinc/81/73/50/656817350.db2.gz USJZRKGMPZVFKG-UHFFFAOYSA-N 2 0 270.421 -0.064 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001001831991 656822216 /nfs/dbraw/zinc/82/22/16/656822216.db2.gz BTUMFTNVJFWOTH-DGCLKSJQSA-N 2 0 296.415 -0.502 20 0 CBADRP CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001004147461 656881415 /nfs/dbraw/zinc/88/14/15/656881415.db2.gz IIVLOHYTVOMRGW-CYBMUJFWSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)[NH+]1CCCCC1 ZINC000910946435 656910518 /nfs/dbraw/zinc/91/05/18/656910518.db2.gz LRIMHTQLCNTCBS-AVGNSLFASA-N 2 0 296.415 -0.170 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000910958079 656910802 /nfs/dbraw/zinc/91/08/02/656910802.db2.gz MHVUCQXKNGMNCD-UHFFFAOYSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000910952631 656911516 /nfs/dbraw/zinc/91/15/16/656911516.db2.gz MLFKMGGDGSZKQW-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000910963151 656914947 /nfs/dbraw/zinc/91/49/47/656914947.db2.gz HXZZRNSVOZABKJ-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000910975002 656916461 /nfs/dbraw/zinc/91/64/61/656916461.db2.gz BPBANGGRNHNOMD-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000910976319 656919417 /nfs/dbraw/zinc/91/94/17/656919417.db2.gz HTYJRFABONESHL-YVECIDJPSA-N 2 0 296.415 -0.158 20 0 CBADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000911003276 656927356 /nfs/dbraw/zinc/92/73/56/656927356.db2.gz HTTIGXHWVJVLSD-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H]1[NH3+] ZINC000911006121 656929291 /nfs/dbraw/zinc/92/92/91/656929291.db2.gz CVAJFGNRAJLWPB-DDHJBXDOSA-N 2 0 282.388 -0.609 20 0 CBADRP C[NH2+]CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000911074051 656940446 /nfs/dbraw/zinc/94/04/46/656940446.db2.gz YPBJSKCJYVTKDI-LBPRGKRZSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000911073259 656941204 /nfs/dbraw/zinc/94/12/04/656941204.db2.gz RDCRGZBYMUBGQE-XQQFMLRXSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911073823 656941355 /nfs/dbraw/zinc/94/13/55/656941355.db2.gz WLZQNANXTFQBIL-SWLSCSKDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C[C@H]1[NH3+] ZINC000911080783 656942590 /nfs/dbraw/zinc/94/25/90/656942590.db2.gz SMZDFVKFSFCALK-MROQNXINSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CC1)[NH+]1CCC(C)CC1 ZINC000911090401 656945618 /nfs/dbraw/zinc/94/56/18/656945618.db2.gz IDQKORYVXUEMPH-GFCCVEGCSA-N 2 0 296.415 -0.170 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911138800 656961714 /nfs/dbraw/zinc/96/17/14/656961714.db2.gz VVFVQCSCMYRGSI-OLZOCXBDSA-N 2 0 298.431 -0.194 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911146264 656964195 /nfs/dbraw/zinc/96/41/95/656964195.db2.gz KPLYQPQGKRBALP-KOLCDFICSA-N 2 0 280.372 -0.807 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C[C@H]1[NH3+] ZINC000911147623 656964218 /nfs/dbraw/zinc/96/42/18/656964218.db2.gz RGSABBIIHNKLOR-HNCHTBHHSA-N 2 0 294.399 -0.467 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000911148237 656965169 /nfs/dbraw/zinc/96/51/69/656965169.db2.gz VNKLEOXSVJOLCF-SRVKXCTJSA-N 2 0 294.399 -0.323 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911161203 656967204 /nfs/dbraw/zinc/96/72/04/656967204.db2.gz IPVDIDIKNRDLRE-FRRDWIJNSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)C1CC1 ZINC000911189262 656977172 /nfs/dbraw/zinc/97/71/72/656977172.db2.gz ZWJVXQRUDFLQJB-GFCCVEGCSA-N 2 0 296.415 -0.299 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000911196185 656980362 /nfs/dbraw/zinc/98/03/62/656980362.db2.gz TUHDAWBPJUNQFH-UHFFFAOYSA-N 2 0 294.399 -0.273 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CC1)[N@H+](C)C1CC1 ZINC000911206181 656984397 /nfs/dbraw/zinc/98/43/97/656984397.db2.gz QAKFBMQLOBQNLL-SECBINFHSA-N 2 0 268.361 -0.807 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[N@H+](C)C1CC1 ZINC000911204818 656984562 /nfs/dbraw/zinc/98/45/62/656984562.db2.gz HUNOZZPKTBXKFQ-VCDKRKBESA-N 2 0 294.399 -0.406 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911209063 656986772 /nfs/dbraw/zinc/98/67/72/656986772.db2.gz LSDGKCQJDZYOJD-FRRDWIJNSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000911214439 656987680 /nfs/dbraw/zinc/98/76/80/656987680.db2.gz FBPPAIFQESVKAR-MROQNXINSA-N 2 0 294.399 -0.547 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000911224195 656990070 /nfs/dbraw/zinc/99/00/70/656990070.db2.gz VHHXEUOZLXDSHL-JHJVBQTASA-N 2 0 294.399 -0.560 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000911244840 656996687 /nfs/dbraw/zinc/99/66/87/656996687.db2.gz SIMXRJMUCBGOHQ-IUODEOHRSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000911245316 656996765 /nfs/dbraw/zinc/99/67/65/656996765.db2.gz ZGNGSUXBJBIOCO-OLZOCXBDSA-N 2 0 298.431 -0.112 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NCCC[NH3+] ZINC000911265856 657002053 /nfs/dbraw/zinc/00/20/53/657002053.db2.gz DUTJSJRENUNYMC-UHFFFAOYSA-N 2 0 272.393 -0.502 20 0 CBADRP O=C(N[C@@H]1CCC[N@@H+](CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001007349250 657005474 /nfs/dbraw/zinc/00/54/74/657005474.db2.gz MFMVPHVINZRKPC-KGLIPLIRSA-N 2 0 281.400 -0.099 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000911275606 657006278 /nfs/dbraw/zinc/00/62/78/657006278.db2.gz YDFKSHCPMABVNQ-NSHDSACASA-N 2 0 284.404 -0.489 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000911275846 657006214 /nfs/dbraw/zinc/00/62/14/657006214.db2.gz ZNKKOZXQMVPBMJ-NSHDSACASA-N 2 0 282.388 -0.687 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000911282455 657010309 /nfs/dbraw/zinc/01/03/09/657010309.db2.gz QUUIYEXJDDNYHI-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000911325388 657020689 /nfs/dbraw/zinc/02/06/89/657020689.db2.gz SJCDELKMAFJNAY-NAWOPXAZSA-N 2 0 294.399 -0.548 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000911369754 657028851 /nfs/dbraw/zinc/02/88/51/657028851.db2.gz BYWOCDHBPNUXPN-FDYHWXHSSA-N 2 0 296.415 -0.491 20 0 CBADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000911403774 657036710 /nfs/dbraw/zinc/03/67/10/657036710.db2.gz TZQRVEWAPBREJW-JTQLQIEISA-N 2 0 291.355 -0.677 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001008543504 657049883 /nfs/dbraw/zinc/04/98/83/657049883.db2.gz WPFFFKUZBYWASA-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911506095 657059322 /nfs/dbraw/zinc/05/93/22/657059322.db2.gz KONSYBZDMLLHKS-NSHDSACASA-N 2 0 282.388 -0.558 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)[C@@H](C)C1 ZINC000911505388 657059334 /nfs/dbraw/zinc/05/93/34/657059334.db2.gz BXVUNCOKRQTOOS-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911505833 657059487 /nfs/dbraw/zinc/05/94/87/657059487.db2.gz UTNGJABVYBYSBX-GFCCVEGCSA-N 2 0 296.415 -0.312 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911506564 657060250 /nfs/dbraw/zinc/06/02/50/657060250.db2.gz OKINAXMXYPNQES-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000911506636 657060341 /nfs/dbraw/zinc/06/03/41/657060341.db2.gz QNHLRVSOLPPLGI-GFCCVEGCSA-N 2 0 294.399 -0.462 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911506619 657060471 /nfs/dbraw/zinc/06/04/71/657060471.db2.gz PXUXDEFEDKPGFM-JTQLQIEISA-N 2 0 268.361 -0.854 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911507114 657061584 /nfs/dbraw/zinc/06/15/84/657061584.db2.gz WFVXHQDPVLYKTN-UHFFFAOYSA-N 2 0 270.377 -0.558 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911527513 657067405 /nfs/dbraw/zinc/06/74/05/657067405.db2.gz GPTGKNJFALWHMZ-NEPJUHHUSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000911535306 657069348 /nfs/dbraw/zinc/06/93/48/657069348.db2.gz GHWPKNLLXGOYHB-YNEHKIRRSA-N 2 0 294.399 -0.450 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000911533784 657069586 /nfs/dbraw/zinc/06/95/86/657069586.db2.gz RHTFEMNBRPGPKG-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911537459 657071230 /nfs/dbraw/zinc/07/12/30/657071230.db2.gz WJAYZMIFXJSJSO-YNEHKIRRSA-N 2 0 294.399 -0.450 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(C)C ZINC000911548952 657075075 /nfs/dbraw/zinc/07/50/75/657075075.db2.gz CYEMYWUQCFELGU-FRRDWIJNSA-N 2 0 296.415 -0.158 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911551449 657075540 /nfs/dbraw/zinc/07/55/40/657075540.db2.gz MCMYUKLKSRRHRS-FRRDWIJNSA-N 2 0 296.415 -0.156 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911557249 657076785 /nfs/dbraw/zinc/07/67/85/657076785.db2.gz NEIWFISTPNVXFN-JHJVBQTASA-N 2 0 296.415 -0.360 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911557906 657076873 /nfs/dbraw/zinc/07/68/73/657076873.db2.gz SQKJWAYGZCTRLR-HAQNSBGRSA-N 2 0 282.388 -0.606 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000911557908 657077019 /nfs/dbraw/zinc/07/70/19/657077019.db2.gz SRDIXLRCHQGZCX-JHJVBQTASA-N 2 0 294.399 -0.463 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC001009507892 657077174 /nfs/dbraw/zinc/07/71/74/657077174.db2.gz INZYKNGMYKTVSA-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911563775 657079180 /nfs/dbraw/zinc/07/91/80/657079180.db2.gz RHIMVIHLNSKGLR-SRVKXCTJSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911564425 657080441 /nfs/dbraw/zinc/08/04/41/657080441.db2.gz YWBRUIKAQCUGEO-SRVKXCTJSA-N 2 0 282.388 -0.608 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000911621425 657087001 /nfs/dbraw/zinc/08/70/01/657087001.db2.gz YWZNCMMPJMPXGG-ZWNOBZJWSA-N 2 0 266.345 -0.165 20 0 CBADRP C[NH+](C)C1(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000911629143 657089046 /nfs/dbraw/zinc/08/90/46/657089046.db2.gz UIVJRDNOEPZYKU-UHFFFAOYSA-N 2 0 254.378 -0.508 20 0 CBADRP C[NH+]1CCC(OCC(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000911631124 657089899 /nfs/dbraw/zinc/08/98/99/657089899.db2.gz YHLWQPWIQOAWJK-UHFFFAOYSA-N 2 0 298.431 -0.491 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)C1=CCC[NH2+]CC1 ZINC000911630884 657090105 /nfs/dbraw/zinc/09/01/05/657090105.db2.gz VXMSBCZBIDEYSJ-UHFFFAOYSA-N 2 0 266.389 -0.292 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC000911633290 657090942 /nfs/dbraw/zinc/09/09/42/657090942.db2.gz GOARKKSTLZKYQS-NEPJUHHUSA-N 2 0 254.378 -0.652 20 0 CBADRP O=C(C1=NOC2(C1)CC[NH2+]CC2)N1CCC[NH2+]CC1 ZINC000911655870 657096838 /nfs/dbraw/zinc/09/68/38/657096838.db2.gz KIYOYMMGCMUMKR-UHFFFAOYSA-N 2 0 266.345 -0.293 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CCC[NH2+]CC2)C1=O ZINC000911655813 657097047 /nfs/dbraw/zinc/09/70/47/657097047.db2.gz IVLIHSMBMGQUNX-LLVKDONJSA-N 2 0 268.361 -0.994 20 0 CBADRP O=C(N1CCC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911655053 657097351 /nfs/dbraw/zinc/09/73/51/657097351.db2.gz AQNSSOAPBMMYEK-YPMHNXCESA-N 2 0 253.346 -0.566 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)NCC2CC[NH2+]CC2)n1 ZINC000911672001 657099658 /nfs/dbraw/zinc/09/96/58/657099658.db2.gz IAUKXEUFGCZGOK-UHFFFAOYSA-N 2 0 265.361 -0.039 20 0 CBADRP C[NH+]1CCC(OCC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000911674596 657101843 /nfs/dbraw/zinc/10/18/43/657101843.db2.gz VJXYLECGXPKZNU-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000911695627 657105772 /nfs/dbraw/zinc/10/57/72/657105772.db2.gz OLNJUQQKPVAQCJ-ZDUSSCGKSA-N 2 0 268.405 -0.119 20 0 CBADRP [NH3+]Cc1ccc2nc(C(=O)N[C@@H]3CC[NH2+]C3)cn2c1 ZINC000911697333 657108392 /nfs/dbraw/zinc/10/83/92/657108392.db2.gz ADIVJUFNBNDGTA-SNVBAGLBSA-N 2 0 259.313 -0.115 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NC[C@@H]1CCC[NH2+]C1 ZINC000911704921 657109127 /nfs/dbraw/zinc/10/91/27/657109127.db2.gz YOCODACLJFOSRC-YPMHNXCESA-N 2 0 255.362 -0.393 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CCC[C@H](C[NH3+])C2)C1=O ZINC000911708297 657111975 /nfs/dbraw/zinc/11/19/75/657111975.db2.gz VRRQKCWFKSKDNM-NEPJUHHUSA-N 2 0 282.388 -0.619 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CCC[C@@H](C[NH3+])C2)C1=O ZINC000911708298 657112200 /nfs/dbraw/zinc/11/22/00/657112200.db2.gz VRRQKCWFKSKDNM-NWDGAFQWSA-N 2 0 282.388 -0.619 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911718346 657113232 /nfs/dbraw/zinc/11/32/32/657113232.db2.gz AAHHEFBIMLNQOK-GWCFXTLKSA-N 2 0 266.345 -0.295 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)NC[C@H]2CCCC[NH2+]2)C1=O ZINC000911715449 657113365 /nfs/dbraw/zinc/11/33/65/657113365.db2.gz XGWKEMSIWIVREO-NEPJUHHUSA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)c1ccn(CCC[NH3+])n1 ZINC000911719933 657114734 /nfs/dbraw/zinc/11/47/34/657114734.db2.gz FREKAUFUGVOHNL-JTQLQIEISA-N 2 0 251.334 -0.334 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000911718709 657114913 /nfs/dbraw/zinc/11/49/13/657114913.db2.gz JRIULXHLRTVVSP-SCRDCRAPSA-N 2 0 298.431 -0.020 20 0 CBADRP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000911720976 657115073 /nfs/dbraw/zinc/11/50/73/657115073.db2.gz STTGCWYAGFQANM-KQXIARHKSA-N 2 0 255.362 -0.396 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C2=CCC[NH2+]CC2)C1 ZINC000911729485 657118250 /nfs/dbraw/zinc/11/82/50/657118250.db2.gz HGPFAFHWCCDHDN-ZDUSSCGKSA-N 2 0 294.399 -0.390 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC000911736413 657119396 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CN1CC[NH2+]C[C@H]1C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000911760432 657124432 /nfs/dbraw/zinc/12/44/32/657124432.db2.gz BCHXCASFEXYUEU-ZDUSSCGKSA-N 2 0 278.356 -0.134 20 0 CBADRP C[C@]1(C(=O)NC[C@H]([NH3+])c2ccccc2)C[C@H](O)C[NH2+]1 ZINC000911762883 657124485 /nfs/dbraw/zinc/12/44/85/657124485.db2.gz FOHZIPPBWZEEPQ-SGMGOOAPSA-N 2 0 263.341 -0.085 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)NCC[C@@H]2CC[NH2+]C2)C1=O ZINC000911767993 657124488 /nfs/dbraw/zinc/12/44/88/657124488.db2.gz NUIZVASTKNJFHC-RYUDHWBXSA-N 2 0 282.388 -0.701 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)COC1CC[NH+](C)CC1 ZINC000911774851 657125448 /nfs/dbraw/zinc/12/54/48/657125448.db2.gz LAHRIFXERSEPMK-UHFFFAOYSA-N 2 0 298.431 -0.539 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)CCSCCC[NH3+] ZINC000911774332 657125504 /nfs/dbraw/zinc/12/55/04/657125504.db2.gz JQRQQXNWEQVIBF-UHFFFAOYSA-N 2 0 288.461 -0.178 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911774006 657125870 /nfs/dbraw/zinc/12/58/70/657125870.db2.gz FJIVBRFIZPCTBJ-SCRDCRAPSA-N 2 0 267.373 -0.272 20 0 CBADRP C[NH2+]CCCCC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000911775984 657126710 /nfs/dbraw/zinc/12/67/10/657126710.db2.gz SCGKTOZEXFXFMR-UHFFFAOYSA-N 2 0 256.394 -0.260 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)N(C)[C@H]2CC[NH2+]C2)CCOCC1 ZINC000911787332 657129324 /nfs/dbraw/zinc/12/93/24/657129324.db2.gz IJLLICXFLMNAOV-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CC1(NC(=O)C[C@]2(O)CCC[NH2+]C2)CCCC1 ZINC000911799875 657133094 /nfs/dbraw/zinc/13/30/94/657133094.db2.gz JYOPEKWTFGJLPV-CYBMUJFWSA-N 2 0 255.362 -0.121 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[NH2+][C@H](C)C1 ZINC000911802653 657133996 /nfs/dbraw/zinc/13/39/96/657133996.db2.gz KNSPKIMRXLZZQL-PWSUYJOCSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@H]1CN(C(=O)c2ccn(CCC[NH3+])n2)CC[NH2+]1 ZINC000911802378 657134731 /nfs/dbraw/zinc/13/47/31/657134731.db2.gz JIXNUHSJRLYZKE-JTQLQIEISA-N 2 0 251.334 -0.334 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)N2CC[NH2+][C@@H](C)C2)CCOCC1 ZINC000911810099 657136257 /nfs/dbraw/zinc/13/62/57/657136257.db2.gz LWLWHMJGBDSXDT-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC000911828128 657141209 /nfs/dbraw/zinc/14/12/09/657141209.db2.gz ZLJWWJAAKRXNKT-YNEHKIRRSA-N 2 0 296.415 -0.231 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911830594 657141355 /nfs/dbraw/zinc/14/13/55/657141355.db2.gz PABWPWUZWNYACP-MDZLAQPJSA-N 2 0 255.362 -0.288 20 0 CBADRP C[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](O)C[NH2+]1 ZINC000911853297 657146380 /nfs/dbraw/zinc/14/63/80/657146380.db2.gz ZTCCDPSRBJFSTM-MPPDQPJWSA-N 2 0 253.346 -0.548 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000911845696 657146997 /nfs/dbraw/zinc/14/69/97/657146997.db2.gz KMCDKGXMFUFCIP-ZWNOBZJWSA-N 2 0 266.345 -0.165 20 0 CBADRP CC(C)([NH3+])CNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911847742 657147012 /nfs/dbraw/zinc/14/70/12/657147012.db2.gz NOAWDXJTQKMQPD-LBPRGKRZSA-N 2 0 254.334 -0.262 20 0 CBADRP CC(C)([NH3+])CNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000911847741 657147238 /nfs/dbraw/zinc/14/72/38/657147238.db2.gz NOAWDXJTQKMQPD-GFCCVEGCSA-N 2 0 254.334 -0.262 20 0 CBADRP CC1(C)C[NH2+]CCN1C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000911849238 657147371 /nfs/dbraw/zinc/14/73/71/657147371.db2.gz ZBHDDHIGBGCNDQ-ZDUSSCGKSA-N 2 0 255.362 -0.299 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911864014 657148053 /nfs/dbraw/zinc/14/80/53/657148053.db2.gz FIYUBHKZDOLQLR-CYBMUJFWSA-N 2 0 257.378 -0.066 20 0 CBADRP CN(C(=O)[C@@H]1C[NH2+]CCN1C)C1CCC([NH3+])CC1 ZINC000911869592 657150010 /nfs/dbraw/zinc/15/00/10/657150010.db2.gz XURVIAIOQSXBAP-MCIGGMRASA-N 2 0 254.378 -0.382 20 0 CBADRP CN1CCN(C(=O)C[C@@H]([NH3+])C(C)(C)C)[C@H](C[NH3+])C1 ZINC000911877641 657151609 /nfs/dbraw/zinc/15/16/09/657151609.db2.gz AVEHXEDQRSANCE-GHMZBOCLSA-N 2 0 256.394 -0.149 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CCO1 ZINC000911878772 657153502 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CN(CC[N@H+](C)CCO)C(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000912603770 657292637 /nfs/dbraw/zinc/29/26/37/657292637.db2.gz CBKXRTRHLSJPJC-ZDUSSCGKSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CC[N@H+](C)CCO ZINC000912608757 657298503 /nfs/dbraw/zinc/29/85/03/657298503.db2.gz WTLDMXYGEMKLTD-CYBMUJFWSA-N 2 0 287.404 -0.663 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912904231 657357578 /nfs/dbraw/zinc/35/75/78/657357578.db2.gz SJWNFLBULVDAOI-OUCADQQQSA-N 2 0 267.373 -0.252 20 0 CBADRP O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001014460759 657361579 /nfs/dbraw/zinc/36/15/79/657361579.db2.gz YUOPHQHFXIMYFM-QWHCGFSZSA-N 2 0 267.373 -0.489 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](CCO)C1 ZINC001015705123 657523276 /nfs/dbraw/zinc/52/32/76/657523276.db2.gz IDEHYGHILOHJBA-RYUDHWBXSA-N 2 0 255.362 -0.347 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCn3cncn3)C2)C1 ZINC001016249968 657672054 /nfs/dbraw/zinc/67/20/54/657672054.db2.gz LLUIPYPWAPPRDZ-QWHCGFSZSA-N 2 0 292.387 -0.580 20 0 CBADRP CC[NH+]1CCN(CCNC(=S)NCC[NH+](C)C)CC1 ZINC000916016532 657757437 /nfs/dbraw/zinc/75/74/37/657757437.db2.gz RKVHOYLMWKHDKJ-UHFFFAOYSA-N 2 0 287.477 -0.350 20 0 CBADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+](CCO)CC2)CC1 ZINC000917837525 657818686 /nfs/dbraw/zinc/81/86/86/657818686.db2.gz NYDGNIWDWDQFER-UHFFFAOYSA-N 2 0 284.404 -0.164 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001018634544 657829432 /nfs/dbraw/zinc/82/94/32/657829432.db2.gz JZGDZGMEZXULLK-QWHCGFSZSA-N 2 0 292.387 -0.437 20 0 CBADRP CC(C)(C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1)[NH+]1CCCCC1 ZINC001018849104 657850396 /nfs/dbraw/zinc/85/03/96/657850396.db2.gz OKSWPTMXHGIIDO-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCO)C2)CC[N@@H+]1C ZINC001018873176 657851185 /nfs/dbraw/zinc/85/11/85/657851185.db2.gz MTRFPQSIQUZLPH-RWMBFGLXSA-N 2 0 269.389 -0.101 20 0 CBADRP C[N@H+](CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001018971869 657855713 /nfs/dbraw/zinc/85/57/13/657855713.db2.gz XUPLFKRORJXKMC-JTQLQIEISA-N 2 0 268.361 -0.854 20 0 CBADRP C[N@H+](CC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001018971876 657856114 /nfs/dbraw/zinc/85/61/14/657856114.db2.gz YERRLNHFZBWINJ-AAEUAGOBSA-N 2 0 294.399 -0.450 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018990950 657856987 /nfs/dbraw/zinc/85/69/87/657856987.db2.gz RSXCSZRDSSAXSB-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001019035032 657859297 /nfs/dbraw/zinc/85/92/97/657859297.db2.gz WQWICSMGCJRAEF-QJPTWQEYSA-N 2 0 282.388 -0.594 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019076255 657861690 /nfs/dbraw/zinc/86/16/90/657861690.db2.gz SMLKQORXJZNFIA-QWHCGFSZSA-N 2 0 296.415 -0.217 20 0 CBADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019169974 657867611 /nfs/dbraw/zinc/86/76/11/657867611.db2.gz SXJUKSJWEBWJKN-FMPXUHTOSA-N 2 0 295.383 -0.968 20 0 CBADRP C[NH+]1CCC(NC(=S)NCCN2CC[NH+](C)CC2)CC1 ZINC000920307324 657873012 /nfs/dbraw/zinc/87/30/12/657873012.db2.gz YHKPQMSDLWVVRZ-UHFFFAOYSA-N 2 0 299.488 -0.208 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001019290082 657880523 /nfs/dbraw/zinc/88/05/23/657880523.db2.gz PJNYIGOSUGGDAG-SRVKXCTJSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001019324797 657885663 /nfs/dbraw/zinc/88/56/63/657885663.db2.gz CADJKRCMNBPMBT-AAEUAGOBSA-N 2 0 269.389 -0.101 20 0 CBADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1)[NH+](C)C ZINC001019342816 657885774 /nfs/dbraw/zinc/88/57/74/657885774.db2.gz JCGOVZLUFYSQCT-RWMBFGLXSA-N 2 0 296.415 -0.348 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001019325070 657886447 /nfs/dbraw/zinc/88/64/47/657886447.db2.gz ISECFXUIYHYAEU-JQWIXIFHSA-N 2 0 282.388 -0.608 20 0 CBADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001019342817 657886492 /nfs/dbraw/zinc/88/64/92/657886492.db2.gz JCGOVZLUFYSQCT-YNEHKIRRSA-N 2 0 296.415 -0.348 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001019394307 657891244 /nfs/dbraw/zinc/89/12/44/657891244.db2.gz FANLVGJIIJWUMC-AVGNSLFASA-N 2 0 296.415 -0.252 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001019384212 657891646 /nfs/dbraw/zinc/89/16/46/657891646.db2.gz XDYBAMQRSBJMQL-NEPJUHHUSA-N 2 0 255.362 -0.489 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001019397366 657893590 /nfs/dbraw/zinc/89/35/90/657893590.db2.gz WQWICSMGCJRAEF-TUAOUCFPSA-N 2 0 282.388 -0.594 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]([NH2+]CCO)C2)cn1 ZINC001019497034 657902117 /nfs/dbraw/zinc/90/21/17/657902117.db2.gz KUAKIZVOPQZVCT-ZDUSSCGKSA-N 2 0 295.387 -0.759 20 0 CBADRP C[NH+]1CCC(OCC(=O)N2CC[C@H]([NH2+]CCO)C2)CC1 ZINC001019576076 657914438 /nfs/dbraw/zinc/91/44/38/657914438.db2.gz BPFLLOPHFUFIBX-LBPRGKRZSA-N 2 0 285.388 -0.720 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001019654724 657926226 /nfs/dbraw/zinc/92/62/26/657926226.db2.gz AILXINFTNUHZHE-RYUDHWBXSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001019775121 657936910 /nfs/dbraw/zinc/93/69/10/657936910.db2.gz YAXQXOBYRHGARB-RYUDHWBXSA-N 2 0 255.362 -0.347 20 0 CBADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001019823842 657948616 /nfs/dbraw/zinc/94/86/16/657948616.db2.gz WYGYIZCJXOOEAW-GXTWGEPZSA-N 2 0 296.415 -0.217 20 0 CBADRP Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)[nH]1 ZINC001020028510 657990172 /nfs/dbraw/zinc/99/01/72/657990172.db2.gz BDZOFGSZWNFJPA-IJLUTSLNSA-N 2 0 292.387 -0.056 20 0 CBADRP CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000922164568 658015244 /nfs/dbraw/zinc/01/52/44/658015244.db2.gz WDXBNQQWAGSTSC-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)CC[N@@H+]1C ZINC001020172112 658021824 /nfs/dbraw/zinc/02/18/24/658021824.db2.gz MKMNTDMSBFWBQU-DDHJBXDOSA-N 2 0 255.362 -0.444 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001020214417 658027006 /nfs/dbraw/zinc/02/70/06/658027006.db2.gz SNNYANZNADZLNS-CYDGBPFRSA-N 2 0 296.415 -0.029 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020237988 658029752 /nfs/dbraw/zinc/02/97/52/658029752.db2.gz JWENYHUIZDJXBP-JHJVBQTASA-N 2 0 296.415 -0.314 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)CC1 ZINC001020543602 658071346 /nfs/dbraw/zinc/07/13/46/658071346.db2.gz WZACIHSUGRKADP-HAQNSBGRSA-N 2 0 255.362 -0.443 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001020543178 658072183 /nfs/dbraw/zinc/07/21/83/658072183.db2.gz BOOWRYCBACOWIO-JHJVBQTASA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020587691 658075267 /nfs/dbraw/zinc/07/52/67/658075267.db2.gz QRLOIWRGLKNLGF-IJLUTSLNSA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1)C(N)=O ZINC001020589074 658076454 /nfs/dbraw/zinc/07/64/54/658076454.db2.gz WFBQWJIXQBHJQS-WRWGMCAJSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@H](O)CN1CCN(C(=O)NCC2([NH+](C)C)CC2)CC1 ZINC000922993246 658120238 /nfs/dbraw/zinc/12/02/38/658120238.db2.gz IVQUKDANXICXHN-LBPRGKRZSA-N 2 0 284.404 -0.211 20 0 CBADRP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)C12CC[NH+](CC1)C2 ZINC001020936116 658121604 /nfs/dbraw/zinc/12/16/04/658121604.db2.gz XDYRYXGKBFEOPK-XYPYZODXSA-N 2 0 253.346 -0.689 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001021045636 658132969 /nfs/dbraw/zinc/13/29/69/658132969.db2.gz HADVXWUTTMAUOY-DCAQKATOSA-N 2 0 268.361 -0.807 20 0 CBADRP CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1=O ZINC001021045291 658135777 /nfs/dbraw/zinc/13/57/77/658135777.db2.gz ZVURNLRDAYIRSJ-CYDGBPFRSA-N 2 0 294.399 -0.594 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001021046055 658136045 /nfs/dbraw/zinc/13/60/45/658136045.db2.gz MSERBBFUTJBEBA-SRVKXCTJSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001021043566 658136806 /nfs/dbraw/zinc/13/68/06/658136806.db2.gz CGLUCNZFXSIBJV-NAKRPEOUSA-N 2 0 268.361 -0.951 20 0 CBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001021091927 658151406 /nfs/dbraw/zinc/15/14/06/658151406.db2.gz ZSKKORDICHFBDT-BJDJZHNGSA-N 2 0 282.388 -0.419 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001021091929 658151462 /nfs/dbraw/zinc/15/14/62/658151462.db2.gz ZSKKORDICHFBDT-DDHJBXDOSA-N 2 0 282.388 -0.419 20 0 CBADRP CSC[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000923282213 658189620 /nfs/dbraw/zinc/18/96/20/658189620.db2.gz STXVNWBAUYAFMP-MNOVXSKESA-N 2 0 275.418 -0.503 20 0 CBADRP [NH3+]C1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000923276719 658190365 /nfs/dbraw/zinc/19/03/65/658190365.db2.gz AWLYBNLEXLBJHV-CHWSQXEVSA-N 2 0 258.362 -0.034 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923280635 658190094 /nfs/dbraw/zinc/19/00/94/658190094.db2.gz IJMKSVDOMCJDSF-GFCCVEGCSA-N 3 0 268.405 -0.085 20 0 CBADRP CC[C@H](O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283168 658191001 /nfs/dbraw/zinc/19/10/01/658191001.db2.gz SMGKUCSCUSAMGU-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP CCOCCOCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000923281763 658191277 /nfs/dbraw/zinc/19/12/77/658191277.db2.gz PGDNMWMJUMDCPZ-CYBMUJFWSA-N 2 0 287.404 -0.174 20 0 CBADRP CN1CC(=O)N(CC[NH+]2CCC(C[NH3+])CC2)C1=O ZINC000923278179 658192290 /nfs/dbraw/zinc/19/22/90/658192290.db2.gz ZKYMKCWSCIYXLG-UHFFFAOYSA-N 2 0 254.334 -0.449 20 0 CBADRP CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303455 658196813 /nfs/dbraw/zinc/19/68/13/658196813.db2.gz NFOOXKWWDGYYJK-RYUDHWBXSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000923301151 658199278 /nfs/dbraw/zinc/19/92/78/658199278.db2.gz OUUYNRAVNXEDNE-RFGFWPKPSA-N 2 0 297.399 -0.592 20 0 CBADRP CC[N@@H+](CC(=O)N(C)C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303672 658200374 /nfs/dbraw/zinc/20/03/74/658200374.db2.gz HJYDBQSJKOGHDV-NSHDSACASA-N 2 0 255.362 -0.225 20 0 CBADRP CNC(=O)[C@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923306182 658201257 /nfs/dbraw/zinc/20/12/57/658201257.db2.gz HXLFSJWJJAQANP-GHMZBOCLSA-N 2 0 253.346 -0.425 20 0 CBADRP CNC(=O)[C@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923313211 658203935 /nfs/dbraw/zinc/20/39/35/658203935.db2.gz PXAZERLXYYUJCI-RYUDHWBXSA-N 2 0 267.373 -0.177 20 0 CBADRP CCCC[N@@H+](CC(N)=O)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923307267 658205812 /nfs/dbraw/zinc/20/58/12/658205812.db2.gz QXJPWHDQGNVGHY-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP COCCN1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923318950 658208162 /nfs/dbraw/zinc/20/81/62/658208162.db2.gz JUKCCIWGUMTWJE-CYBMUJFWSA-N 2 0 269.389 -0.371 20 0 CBADRP COC[C@](C)(CCO)[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923318748 658209577 /nfs/dbraw/zinc/20/95/77/658209577.db2.gz ONDBJLAUPXGLHK-RYUDHWBXSA-N 2 0 258.362 -0.258 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000923328743 658214483 /nfs/dbraw/zinc/21/44/83/658214483.db2.gz CETSYZCBGMKNCA-KGLIPLIRSA-N 2 0 271.405 -0.248 20 0 CBADRP CC[C@H](O)C[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000923331800 658218348 /nfs/dbraw/zinc/21/83/48/658218348.db2.gz GJIBBURKXXZKEV-RYUDHWBXSA-N 2 0 255.362 -0.347 20 0 CBADRP [NH3+]CC(C[NH3+])NCC(=O)Nc1ccc2c(c1)CCC2 ZINC000923350562 658219419 /nfs/dbraw/zinc/21/94/19/658219419.db2.gz CDJCDNCGPSFANV-UHFFFAOYSA-N 2 0 262.357 -0.011 20 0 CBADRP O[C@H](Cn1cccn1)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923334550 658219796 /nfs/dbraw/zinc/21/97/96/658219796.db2.gz VWPIHPYLTQYGSA-STQMWFEESA-N 2 0 250.346 -0.071 20 0 CBADRP CCOC[C@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000923347190 658220003 /nfs/dbraw/zinc/22/00/03/658220003.db2.gz ZORDHYROHYQCIK-CHWSQXEVSA-N 2 0 287.404 -0.297 20 0 CBADRP [NH3+]CC(C[NH3+])NCC(=O)NCc1ccc(Cl)cc1 ZINC000923350582 658221505 /nfs/dbraw/zinc/22/15/05/658221505.db2.gz CVEOXIBIEYCQIM-UHFFFAOYSA-N 2 0 270.764 -0.168 20 0 CBADRP COC(=O)[C@H](NC(C[NH3+])C[NH3+])c1cccc(OC)c1 ZINC000923358566 658227682 /nfs/dbraw/zinc/22/76/82/658227682.db2.gz CWOJRKOYJHVRIX-GFCCVEGCSA-N 2 0 267.329 -0.215 20 0 CBADRP CN1CC(=O)N(CC[NH+]2CCC3(CC[NH2+]C3)CC2)C1=O ZINC000923359401 658228524 /nfs/dbraw/zinc/22/85/24/658228524.db2.gz QTVLYFWOFGIRSR-UHFFFAOYSA-N 2 0 280.372 -0.044 20 0 CBADRP Cc1ccc(OC[C@@H](O)CNC(C[NH3+])C[NH3+])c(C)c1 ZINC000923355903 658229768 /nfs/dbraw/zinc/22/97/68/658229768.db2.gz FPQFWKZNXZROFT-ZDUSSCGKSA-N 2 0 267.373 -0.081 20 0 CBADRP CN1CC(=O)N(CC[NH2+][C@H]2CC[NH2+]CC2(C)C)C1=O ZINC000923371038 658242306 /nfs/dbraw/zinc/24/23/06/658242306.db2.gz UHWUWEACKZXTAT-JTQLQIEISA-N 2 0 268.361 -0.142 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000923370017 658242348 /nfs/dbraw/zinc/24/23/48/658242348.db2.gz OFXXSDUHNOWIGJ-IGQOVBAYSA-N 2 0 273.421 -0.098 20 0 CBADRP COC(=O)N(C)CC[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923387354 658250207 /nfs/dbraw/zinc/25/02/07/658250207.db2.gz DCTXAZXJTUVMAC-NSHDSACASA-N 2 0 271.361 -0.005 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)CCN1C(=O)CN(C)C1=O ZINC000923402040 658257940 /nfs/dbraw/zinc/25/79/40/658257940.db2.gz STLTXAYNTVLNKE-UHFFFAOYSA-N 2 0 272.349 -0.952 20 0 CBADRP OCC[NH2+][C@H]1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923409509 658264971 /nfs/dbraw/zinc/26/49/71/658264971.db2.gz RYQWRWKEMPOWRD-QWHCGFSZSA-N 2 0 269.389 -0.589 20 0 CBADRP CC[C@H](O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923415010 658271296 /nfs/dbraw/zinc/27/12/96/658271296.db2.gz PIZFZGPIIGDQNV-KXNHARMFSA-N 2 0 269.345 -0.376 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000923416031 658271394 /nfs/dbraw/zinc/27/13/94/658271394.db2.gz KEWFKWPFAMRICR-MELADBBJSA-N 2 0 271.405 -0.248 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000923416028 658271570 /nfs/dbraw/zinc/27/15/70/658271570.db2.gz KEWFKWPFAMRICR-IHRRRGAJSA-N 2 0 271.405 -0.248 20 0 CBADRP CC(C)(C)n1nnc(CN2CC[NH2+]CC[NH2+]CC2)n1 ZINC000923459685 658292383 /nfs/dbraw/zinc/29/23/83/658292383.db2.gz LJJCLZUCANAOOJ-UHFFFAOYSA-N 2 0 267.381 -0.577 20 0 CBADRP C(CN1CC[NH2+]CC[NH2+]CC1)OC[C@@H]1CCCO1 ZINC000923463801 658299001 /nfs/dbraw/zinc/29/90/01/658299001.db2.gz VOMCXIZRBFQULU-ZDUSSCGKSA-N 2 0 257.378 -0.323 20 0 CBADRP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480749 658302610 /nfs/dbraw/zinc/30/26/10/658302610.db2.gz CHYUWUAYOMQRBU-GFCCVEGCSA-N 2 0 293.433 -0.387 20 0 CBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923490701 658306334 /nfs/dbraw/zinc/30/63/34/658306334.db2.gz FHEGYGZEIGASPQ-JHJVBQTASA-N 2 0 260.378 -0.073 20 0 CBADRP C[C@H]1C[N@H+](CCN2C(=O)CN(C)C2=O)CC[C@@H]1C[NH3+] ZINC000923494607 658308791 /nfs/dbraw/zinc/30/87/91/658308791.db2.gz ZASSGMXTZAJSHV-WDEREUQCSA-N 2 0 268.361 -0.203 20 0 CBADRP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923498686 658308872 /nfs/dbraw/zinc/30/88/72/658308872.db2.gz JBJUPRDMGFCQOL-QWHCGFSZSA-N 2 0 298.431 -0.112 20 0 CBADRP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)CC[C@@H]1C[NH3+] ZINC000923502565 658309212 /nfs/dbraw/zinc/30/92/12/658309212.db2.gz BVZDGFFXRICLHJ-NXEZZACHSA-N 2 0 268.361 -0.109 20 0 CBADRP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1)C(=O)N(C)C ZINC000923500981 658311398 /nfs/dbraw/zinc/31/13/98/658311398.db2.gz SWDOKLXOGPFPSO-GRYCIOLGSA-N 2 0 284.404 -0.504 20 0 CBADRP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923514081 658311819 /nfs/dbraw/zinc/31/18/19/658311819.db2.gz NAOOVSVVWTUGME-MROQNXINSA-N 2 0 296.415 -0.375 20 0 CBADRP C[C@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)CC[C@H]1C[NH3+] ZINC000923502522 658312343 /nfs/dbraw/zinc/31/23/43/658312343.db2.gz ZLMRMCGPMVQABG-QWRGUYRKSA-N 2 0 280.372 -0.499 20 0 CBADRP [NH3+]C[C@H]1CCCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923568280 658333224 /nfs/dbraw/zinc/33/32/24/658333224.db2.gz WZESCQPRKYALFZ-GHMZBOCLSA-N 2 0 261.391 -0.261 20 0 CBADRP O=S(=O)([C@H]1CCC[NH2+]C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923573861 658335863 /nfs/dbraw/zinc/33/58/63/658335863.db2.gz QSPHWLCOQOMKBJ-WOPDTQHZSA-N 2 0 273.402 -0.106 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923607792 658348461 /nfs/dbraw/zinc/34/84/61/658348461.db2.gz HFVJGRQJDHXJMY-GFCCVEGCSA-N 2 0 290.433 -0.400 20 0 CBADRP O=S(=O)(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CC[NH2+]CC1 ZINC000923607974 658348582 /nfs/dbraw/zinc/34/85/82/658348582.db2.gz FXNVGDLOVMWUTG-GFCCVEGCSA-N 2 0 288.417 -0.790 20 0 CBADRP C[N@@H+]1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923610711 658349153 /nfs/dbraw/zinc/34/91/53/658349153.db2.gz WAXRGBJHAAGKMS-NWDGAFQWSA-N 2 0 273.402 -0.153 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923607793 658350110 /nfs/dbraw/zinc/35/01/10/658350110.db2.gz HFVJGRQJDHXJMY-LBPRGKRZSA-N 2 0 290.433 -0.400 20 0 CBADRP CC[NH+](CC)CCN(CCOC)S(=O)(=O)C1C[NH2+]C1 ZINC000923606943 658350290 /nfs/dbraw/zinc/35/02/90/658350290.db2.gz SZMZWCROTSMBNX-UHFFFAOYSA-N 2 0 293.433 -0.422 20 0 CBADRP C[NH+](C)C[C@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000923612120 658353668 /nfs/dbraw/zinc/35/36/68/658353668.db2.gz MQTPHOCWXJTGEN-NWDGAFQWSA-N 2 0 291.417 -0.669 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)[C@H]3CCC[NH2+]C3)C[C@@H]12 ZINC000923635659 658365375 /nfs/dbraw/zinc/36/53/75/658365375.db2.gz OQSIHZZXQQJREF-WRWGMCAJSA-N 2 0 273.402 -0.263 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923635386 658366494 /nfs/dbraw/zinc/36/64/94/658366494.db2.gz HDORNNGHBDHJNL-GARJFASQSA-N 2 0 261.391 -0.263 20 0 CBADRP C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923634865 658366686 /nfs/dbraw/zinc/36/66/86/658366686.db2.gz GUXAQNVXIIAYOD-NWDGAFQWSA-N 2 0 290.433 -0.366 20 0 CBADRP O=S(=O)([C@H]1CCC[NH2+]C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000923648025 658372421 /nfs/dbraw/zinc/37/24/21/658372421.db2.gz FFJSJIBIFVUATG-NWDGAFQWSA-N 2 0 273.402 -0.104 20 0 CBADRP CN(C1(C[NH3+])CCC1)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923645161 658372472 /nfs/dbraw/zinc/37/24/72/658372472.db2.gz LSTFSPHKSSEHJL-JTQLQIEISA-N 2 0 261.391 -0.119 20 0 CBADRP O=S(=O)(NCCC[C@@H]1CCC[NH2+]1)N1CC[NH2+]CC1 ZINC000923645638 658373350 /nfs/dbraw/zinc/37/33/50/658373350.db2.gz NAJLUKJOKNYJOM-NSHDSACASA-N 2 0 276.406 -0.742 20 0 CBADRP C[C@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)[C@@H]1CC[NH3+] ZINC000923651087 658375919 /nfs/dbraw/zinc/37/59/19/658375919.db2.gz CWPOWZOAQFKXBN-NWDGAFQWSA-N 2 0 290.433 -0.414 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923658708 658382809 /nfs/dbraw/zinc/38/28/09/658382809.db2.gz BRAQPFWWTJHQJU-NSHDSACASA-N 2 0 276.406 -0.934 20 0 CBADRP [NH3+]C1(CNS(=O)(=O)[C@H]2CCC[NH2+]C2)CCOCC1 ZINC000923661829 658384561 /nfs/dbraw/zinc/38/45/61/658384561.db2.gz NOGYIWCGOYTENC-JTQLQIEISA-N 2 0 277.390 -0.834 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923660124 658385507 /nfs/dbraw/zinc/38/55/07/658385507.db2.gz RGVRAHVNKIVJAS-NEPJUHHUSA-N 2 0 275.418 -0.002 20 0 CBADRP CO[C@@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)[C@](C)(C[NH3+])C1 ZINC000923661307 658386500 /nfs/dbraw/zinc/38/65/00/658386500.db2.gz DKLDLLRRQDPTIL-TUAOUCFPSA-N 2 0 291.417 -0.494 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000923666997 658389753 /nfs/dbraw/zinc/38/97/53/658389753.db2.gz QROPSSVWMUMJOO-VWYCJHECSA-N 2 0 261.391 -0.405 20 0 CBADRP [NH3+]CC12CCC(CC1)N2S(=O)(=O)N1CC[NH2+]CC1 ZINC000923666493 658390226 /nfs/dbraw/zinc/39/02/26/658390226.db2.gz HOTOMSOLGWRSKI-UHFFFAOYSA-N 2 0 274.390 -0.908 20 0 CBADRP O=S(=O)(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC000923670183 658391522 /nfs/dbraw/zinc/39/15/22/658391522.db2.gz CAWQZMUKWXKQCZ-SRVKXCTJSA-N 2 0 273.402 -0.058 20 0 CBADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000923670576 658391731 /nfs/dbraw/zinc/39/17/31/658391731.db2.gz AMBORKOKKZXKQD-UTUOFQBUSA-N 2 0 273.402 -0.106 20 0 CBADRP C[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC000923704365 658405793 /nfs/dbraw/zinc/40/57/93/658405793.db2.gz RXGRQXODFXOJEF-QWRGUYRKSA-N 2 0 276.406 -0.947 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[C@@H]1C[NH3+] ZINC000923704550 658408622 /nfs/dbraw/zinc/40/86/22/658408622.db2.gz VZXIJOLXGZZAAQ-UTUOFQBUSA-N 2 0 291.417 -0.779 20 0 CBADRP O=S(=O)([C@H]1CCC[NH2+]C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923718353 658410461 /nfs/dbraw/zinc/41/04/61/658410461.db2.gz TYDOCNIWPWZMGU-TUAOUCFPSA-N 2 0 273.402 -0.391 20 0 CBADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923718352 658412692 /nfs/dbraw/zinc/41/26/92/658412692.db2.gz TYDOCNIWPWZMGU-QJPTWQEYSA-N 2 0 273.402 -0.391 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1COCO1 ZINC000923855016 658532890 /nfs/dbraw/zinc/53/28/90/658532890.db2.gz UNLFWKBMQYZLNW-LBPRGKRZSA-N 2 0 288.392 -0.506 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924576986 658613182 /nfs/dbraw/zinc/61/31/82/658613182.db2.gz CVENZYLKGYKUHK-NWDGAFQWSA-N 2 0 298.387 -0.421 20 0 CBADRP COCC[N@H+](C)CCN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924567249 658614567 /nfs/dbraw/zinc/61/45/67/658614567.db2.gz KJCQDFKPQJCMIM-JTQLQIEISA-N 2 0 272.349 -0.953 20 0 CBADRP C[C@@H]1C[C@H](N2C(=O)N[C@H](C[NH+](C)C)C2=O)CC[N@@H+]1C ZINC000924628507 658624882 /nfs/dbraw/zinc/62/48/82/658624882.db2.gz JPCFTXMBLWUVCS-GMTAPVOTSA-N 2 0 268.361 -0.049 20 0 CBADRP O=C(NC[C@H]1CN(CCF)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958592463 658669570 /nfs/dbraw/zinc/66/95/70/658669570.db2.gz QBBUSIMDUHYIEI-NWDGAFQWSA-N 2 0 285.363 -0.539 20 0 CBADRP O=C(NC[C@@H]1CN(CCF)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958592462 658670905 /nfs/dbraw/zinc/67/09/05/658670905.db2.gz QBBUSIMDUHYIEI-NEPJUHHUSA-N 2 0 285.363 -0.539 20 0 CBADRP C[NH+](C)C[C@@H]1NC(=O)N(C[C@H]2C[C@@H]([NH+](C)C)C2)C1=O ZINC000924973935 658678926 /nfs/dbraw/zinc/67/89/26/658678926.db2.gz YYFHTIUOYGIIQM-AXFHLTTASA-N 2 0 268.361 -0.191 20 0 CBADRP C[N@H+](CCO)CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000924998538 658719650 /nfs/dbraw/zinc/71/96/50/658719650.db2.gz IQHAENKXYAAGJU-UHFFFAOYSA-N 2 0 287.404 -0.615 20 0 CBADRP C[NH+](C)Cc1ccc(C(=O)NCC[N@H+](C)CCO)cn1 ZINC000925000392 658725221 /nfs/dbraw/zinc/72/52/21/658725221.db2.gz QWOMLYGYNVTHRR-UHFFFAOYSA-N 2 0 280.372 -0.203 20 0 CBADRP C[NH+]1CCC(O)(C[NH2+][C@H]2C(=O)NCC2(C)C)CC1 ZINC000925117379 658807130 /nfs/dbraw/zinc/80/71/30/658807130.db2.gz OGXUQMOFTDCATP-JTQLQIEISA-N 2 0 255.362 -0.443 20 0 CBADRP CCO[C@H](CN1C(=O)N[C@@H](C[NH+](C)C)C1=O)C[NH+](C)C ZINC000925235628 658813644 /nfs/dbraw/zinc/81/36/44/658813644.db2.gz MTAQHEVJRLXLJX-QWRGUYRKSA-N 2 0 286.376 -0.565 20 0 CBADRP C[C@@H]1[C@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)CC[N@@H+]1C ZINC000925332153 658828241 /nfs/dbraw/zinc/82/82/41/658828241.db2.gz NJTJCBQGLZOGKU-NQBHXWOUSA-N 2 0 270.377 -0.555 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000925331431 658828407 /nfs/dbraw/zinc/82/84/07/658828407.db2.gz JNYFYEIYXHHBIL-VXGBXAGGSA-N 2 0 272.393 -0.308 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000961666982 658830730 /nfs/dbraw/zinc/83/07/30/658830730.db2.gz YNFHLQHAZSJUOQ-SCUASFONSA-N 2 0 281.400 -0.245 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000925346775 658832446 /nfs/dbraw/zinc/83/24/46/658832446.db2.gz VTQBGVDFIAZQQN-UTUOFQBUSA-N 2 0 270.377 -0.555 20 0 CBADRP C[NH+](C)C[C@@H]1NC(=O)N(CC[N@@H+]2CCCOCC2)C1=O ZINC000925349819 658834281 /nfs/dbraw/zinc/83/42/81/658834281.db2.gz RHJKAFOUFQXUAT-NSHDSACASA-N 2 0 284.360 -0.809 20 0 CBADRP CCC[N@@H+]1CC[C@H](N2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000925359974 658834947 /nfs/dbraw/zinc/83/49/47/658834947.db2.gz SEKMPUDZZPJCPC-WDEREUQCSA-N 2 0 268.361 -0.047 20 0 CBADRP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[C@@H](O)C[NH+]2C)CC[N@@H+]1C ZINC000925357655 658835036 /nfs/dbraw/zinc/83/50/36/658835036.db2.gz WYNRNWIAUNISPY-DDHJBXDOSA-N 2 0 270.377 -0.557 20 0 CBADRP CCC[N@@H+]1CC[C@H](N2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000925359972 658835346 /nfs/dbraw/zinc/83/53/46/658835346.db2.gz SEKMPUDZZPJCPC-QWRGUYRKSA-N 2 0 268.361 -0.047 20 0 CBADRP C[N@H+](CCO)C1CCN(C(=O)NC[C@H]2CC[NH+]2C)CC1 ZINC000925414686 658841306 /nfs/dbraw/zinc/84/13/06/658841306.db2.gz AZIGKNINCHHEFH-CYBMUJFWSA-N 2 0 284.404 -0.211 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000925424155 658845562 /nfs/dbraw/zinc/84/55/62/658845562.db2.gz KUPCNEAXACTCND-CHWSQXEVSA-N 2 0 284.404 -0.164 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000925429625 658849540 /nfs/dbraw/zinc/84/95/40/658849540.db2.gz PAKGPLYFHYWQJY-MNOVXSKESA-N 2 0 256.350 -0.944 20 0 CBADRP CCO[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C)C[NH+](C)C ZINC000925431139 658851585 /nfs/dbraw/zinc/85/15/85/658851585.db2.gz COOHIFXVRCSFSA-VXGBXAGGSA-N 2 0 272.393 -0.044 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[C@@H](O)C[NH+]1C ZINC000925431192 658851658 /nfs/dbraw/zinc/85/16/58/658851658.db2.gz FAYBYFBCEBHNER-OUAUKWLOSA-N 2 0 256.350 -0.945 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000925434645 658852887 /nfs/dbraw/zinc/85/28/87/658852887.db2.gz LPGZCDCYQACACA-UONOGXRCSA-N 2 0 296.415 -0.069 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925434441 658852961 /nfs/dbraw/zinc/85/29/61/658852961.db2.gz KLCFTAVVWJIVSR-GFCCVEGCSA-N 2 0 299.419 -0.648 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000925432908 658853770 /nfs/dbraw/zinc/85/37/70/658853770.db2.gz ZQUHTRIPAJKTFQ-RYUDHWBXSA-N 2 0 284.404 -0.165 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925477738 658855269 /nfs/dbraw/zinc/85/52/69/658855269.db2.gz LTEGOIMFODSLIJ-QWHCGFSZSA-N 2 0 257.378 -0.325 20 0 CBADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOCCS(C)(=O)=O ZINC000925465509 658855567 /nfs/dbraw/zinc/85/55/67/658855567.db2.gz IEDHLGWUDMUXJO-FUNVUKJBSA-N 2 0 290.429 -0.023 20 0 CBADRP C[C@@H](CN[C@H]1C[NH2+]CCOC1)N1CC[NH+](C)CC1 ZINC000925496364 658856549 /nfs/dbraw/zinc/85/65/49/658856549.db2.gz QSBJAWDWVXICTJ-STQMWFEESA-N 2 0 256.394 -0.800 20 0 CBADRP CCN1CC[NH+](C[C@H](C)CN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925488762 658857029 /nfs/dbraw/zinc/85/70/29/658857029.db2.gz GIJKNYIOJXNERS-HUUCEWRRSA-N 2 0 284.448 -0.162 20 0 CBADRP CNC(=O)CN1CCC([NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925537557 658857862 /nfs/dbraw/zinc/85/78/62/658857862.db2.gz LSYKMXQRTUQIDL-GFCCVEGCSA-N 2 0 268.405 -0.073 20 0 CBADRP CS(=O)(=O)N1CCC(C[NH2+][C@H]2CNCCOC2)CC1 ZINC000925549624 658859020 /nfs/dbraw/zinc/85/90/20/658859020.db2.gz WZRODQYHGDAGJD-LBPRGKRZSA-N 2 0 291.417 -0.764 20 0 CBADRP FC(F)(F)[C@H](CN[C@@H]1C[NH2+]CCOC1)N1CC[NH2+]CC1 ZINC000925699594 658866222 /nfs/dbraw/zinc/86/62/22/658866222.db2.gz KZFXAFOMQUQOGP-MNOVXSKESA-N 2 0 296.337 -0.600 20 0 CBADRP c1cc(O[C@H]2CC[NH2+]C2)cc(CN[C@H]2C[NH2+]CCOC2)n1 ZINC000925708545 658866889 /nfs/dbraw/zinc/86/68/89/658866889.db2.gz RJVLBKCNZQLMPM-ZFWWWQNUSA-N 2 0 292.383 -0.100 20 0 CBADRP CN1CCOC[C@@H]1C[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925719662 658868015 /nfs/dbraw/zinc/86/80/15/658868015.db2.gz ULBBHYDIDPHGKR-ZUWCUPBKSA-N 2 0 269.389 -0.341 20 0 CBADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@]23COCCN2C(=O)COC3)C12CCC2 ZINC000925727978 658868721 /nfs/dbraw/zinc/86/87/21/658868721.db2.gz RRYLOMWXDUHHJN-BZPMIXESSA-N 2 0 295.383 -0.526 20 0 CBADRP CNS(=O)(=O)CCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925726869 658869212 /nfs/dbraw/zinc/86/92/12/658869212.db2.gz XNBHOEIZQYAQSD-ZJUUUORDSA-N 2 0 261.391 -0.215 20 0 CBADRP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2[C@@H]3COC[C@H]2C[C@@H]([NH3+])C3)C1 ZINC000925771678 658870628 /nfs/dbraw/zinc/87/06/28/658870628.db2.gz ZNZRELLKNFHYAJ-MHRIFJKISA-N 2 0 288.413 -0.096 20 0 CBADRP C[C@@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)[C@@H]1CC[NH2+]C1 ZINC000925776611 658870967 /nfs/dbraw/zinc/87/09/67/658870967.db2.gz YSJVKHCIDINVFL-GHMZBOCLSA-N 2 0 275.418 -0.002 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC[C@@H]1C[NH3+] ZINC000926300021 658890724 /nfs/dbraw/zinc/89/07/24/658890724.db2.gz SNVFYMSOHMEXSQ-QWHCGFSZSA-N 2 0 298.431 -0.160 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926301126 658890824 /nfs/dbraw/zinc/89/08/24/658890824.db2.gz XZYOOORFAJVHDG-GFCCVEGCSA-N 2 0 284.404 -0.406 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC[C@@H]1C[NH3+] ZINC000926300018 658891091 /nfs/dbraw/zinc/89/10/91/658891091.db2.gz SNVFYMSOHMEXSQ-CHWSQXEVSA-N 2 0 298.431 -0.160 20 0 CBADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000926329661 658893064 /nfs/dbraw/zinc/89/30/64/658893064.db2.gz GPOKNFAUYKWYCQ-YNEHKIRRSA-N 2 0 294.399 -0.783 20 0 CBADRP CCO[C@@H](CN[C@@H]1C(=O)NCC12CCOCC2)C[NH+](C)C ZINC000926960528 658918928 /nfs/dbraw/zinc/91/89/28/658918928.db2.gz MJMVYXRZWGZTLL-QWHCGFSZSA-N 2 0 299.415 -0.162 20 0 CBADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969403924 658989137 /nfs/dbraw/zinc/98/91/37/658989137.db2.gz SXJUKSJWEBWJKN-DNCHLWJUSA-N 2 0 295.383 -0.968 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000969595261 659007886 /nfs/dbraw/zinc/00/78/86/659007886.db2.gz TYDZYZJKZFYOFZ-IJLUTSLNSA-N 2 0 255.362 -0.348 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(CC(N)=O)C1 ZINC000969702628 659010785 /nfs/dbraw/zinc/01/07/85/659010785.db2.gz APAOOVPHAPFVPN-HOSYDEDBSA-N 2 0 282.388 -0.752 20 0 CBADRP Cc1ncc2n1CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCO)C1)C2 ZINC000969962992 659025859 /nfs/dbraw/zinc/02/58/59/659025859.db2.gz QOQCHOJSRYTBSV-QWHCGFSZSA-N 2 0 292.383 -0.063 20 0 CBADRP C[NH+]1CC[C@@H]1CNC(=O)CCCC(=O)NC[C@H]1CC[N@H+]1C ZINC000928564787 659045128 /nfs/dbraw/zinc/04/51/28/659045128.db2.gz ZARBUJJQWXWYDA-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000928571555 659048843 /nfs/dbraw/zinc/04/88/43/659048843.db2.gz OXEKVFNJOJZIOV-DGCLKSJQSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1C[NH+](CCO)C1 ZINC000970372878 659054237 /nfs/dbraw/zinc/05/42/37/659054237.db2.gz WGWYBLMLBKAZKH-LLVKDONJSA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+](CCCO)C1 ZINC000970746396 659070149 /nfs/dbraw/zinc/07/01/49/659070149.db2.gz LVUWEENETXVYSZ-LBPRGKRZSA-N 2 0 281.400 -0.099 20 0 CBADRP OC[C@@H](O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000929762615 659168275 /nfs/dbraw/zinc/16/82/75/659168275.db2.gz GXDKJKWZWZKUNY-ZDUSSCGKSA-N 2 0 272.389 -0.084 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@H](O)CO ZINC000930059410 659201540 /nfs/dbraw/zinc/20/15/40/659201540.db2.gz CLHGNRTZPAETPE-YVECIDJPSA-N 2 0 258.362 -0.477 20 0 CBADRP C[C@H](O)[C@H](O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000930059455 659201573 /nfs/dbraw/zinc/20/15/73/659201573.db2.gz DDETZOQXGHUMND-QSLWVIQJSA-N 2 0 272.389 -0.088 20 0 CBADRP C[C@H](O)[C@H](O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000930113120 659210550 /nfs/dbraw/zinc/21/05/50/659210550.db2.gz CNIJVIFUTJCZCA-GXTWGEPZSA-N 2 0 273.421 -0.314 20 0 CBADRP O=C(NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@H]1C[NH+]2CCC1CC2 ZINC000978201597 659213244 /nfs/dbraw/zinc/21/32/44/659213244.db2.gz SJQTYNFABRTSLF-ZQDZILKHSA-N 2 0 293.411 -0.386 20 0 CBADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H](O)CO)CC2)CC1 ZINC000930130478 659216287 /nfs/dbraw/zinc/21/62/87/659216287.db2.gz MVTIDXGNWGPTTO-HNNXBMFYSA-N 2 0 285.432 -0.170 20 0 CBADRP C[C@H](O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000980833821 659294105 /nfs/dbraw/zinc/29/41/05/659294105.db2.gz KVVFMBNMPVGQNN-QWHCGFSZSA-N 2 0 269.389 -0.004 20 0 CBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[N@@H+](CCO)CC1 ZINC000981169502 659309886 /nfs/dbraw/zinc/30/98/86/659309886.db2.gz ZTEHYAMDGJINLL-CQSZACIVSA-N 2 0 281.400 -0.145 20 0 CBADRP NC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981529039 659320619 /nfs/dbraw/zinc/32/06/19/659320619.db2.gz XMOGKTOSLJKGKS-RYUDHWBXSA-N 2 0 282.388 -0.416 20 0 CBADRP CNC(=O)[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000930748674 659335604 /nfs/dbraw/zinc/33/56/04/659335604.db2.gz ZCWWIHVUNMUGLN-NWDGAFQWSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC[NH+](CCO)CC1 ZINC000981958588 659336354 /nfs/dbraw/zinc/33/63/54/659336354.db2.gz GAUHXXOVIJLLNY-STQMWFEESA-N 2 0 269.389 -0.289 20 0 CBADRP C[N@H+](CC(N)=O)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000985327975 659380221 /nfs/dbraw/zinc/38/02/21/659380221.db2.gz OXWANYYPBVQJTN-GFCCVEGCSA-N 2 0 282.388 -0.511 20 0 CBADRP C[N@H+](CC(N)=O)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000985751533 659398373 /nfs/dbraw/zinc/39/83/73/659398373.db2.gz NUHRSNSITNUNSO-GFCCVEGCSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000985794258 659402055 /nfs/dbraw/zinc/40/20/55/659402055.db2.gz ZROWHIOJNKJPAK-RYUDHWBXSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000987123504 659488316 /nfs/dbraw/zinc/48/83/16/659488316.db2.gz KLHHVBBLFPKELP-YPMHNXCESA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1[C@H]([NH2+]CCO)CCN1C(=O)C[NH+]1CCCC1 ZINC000987534167 659510200 /nfs/dbraw/zinc/51/02/00/659510200.db2.gz UWORBAUSBOLJNL-VXGBXAGGSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C[NH+]1CCCC1 ZINC000987525982 659510851 /nfs/dbraw/zinc/51/08/51/659510851.db2.gz PTKVLMXVDUPBPH-QWRGUYRKSA-N 2 0 268.361 -0.854 20 0 CBADRP CCN(C(=O)C(=O)NC[C@H]1CCN1C)[C@H]1CC[N@H+](C)C1 ZINC000931884066 659548008 /nfs/dbraw/zinc/54/80/08/659548008.db2.gz DPMFHVLEOBRETM-NEPJUHHUSA-N 2 0 282.388 -0.641 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989390106 659582744 /nfs/dbraw/zinc/58/27/44/659582744.db2.gz MSSQTFXUFZVAOR-ZYHUDNBSSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CCO)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989407042 659586701 /nfs/dbraw/zinc/58/67/01/659586701.db2.gz MVZOUDGUKCMIOI-YPMHNXCESA-N 2 0 269.389 -0.101 20 0 CBADRP O=C(N1CCC[N@@H+](CCCO)CC1)C12CC[NH+](CC1)C2 ZINC000989492387 659589918 /nfs/dbraw/zinc/58/99/18/659589918.db2.gz LGZLQRBRISAGKI-UHFFFAOYSA-N 2 0 281.400 -0.001 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989683561 659608465 /nfs/dbraw/zinc/60/84/65/659608465.db2.gz RDWMNIDONIHNDG-QWRGUYRKSA-N 2 0 280.372 -0.854 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CC[NH+]1CCCCC1 ZINC000989829705 659616747 /nfs/dbraw/zinc/61/67/47/659616747.db2.gz VGSWWFXJDQEHCO-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732789 659735732 /nfs/dbraw/zinc/73/57/32/659735732.db2.gz BQGCKGWLLNNLJX-RRFJBIMHSA-N 2 0 285.432 -0.191 20 0 CBADRP CC[C@H](C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC000990507916 659753633 /nfs/dbraw/zinc/75/36/33/659753633.db2.gz IHYYEFNULGQBOO-OLZOCXBDSA-N 2 0 296.415 -0.252 20 0 CBADRP C[NH+](C)C[C@H](CO)NC(=O)COC1CC[NH+](C)CC1 ZINC000935981878 659848973 /nfs/dbraw/zinc/84/89/73/659848973.db2.gz UFSNXDUPQAMBEM-LLVKDONJSA-N 2 0 273.377 -0.864 20 0 CBADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(N)=O ZINC000939063904 659883020 /nfs/dbraw/zinc/88/30/20/659883020.db2.gz OAOZDCCDXUMIFT-ZYHUDNBSSA-N 2 0 282.388 -0.750 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)CC[N@@H+]1C ZINC000995836027 659910253 /nfs/dbraw/zinc/91/02/53/659910253.db2.gz YZIYJIGRAKDACN-IJLUTSLNSA-N 2 0 296.415 -0.362 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1)C1CC1 ZINC000995896565 659910949 /nfs/dbraw/zinc/91/09/49/659910949.db2.gz ORTHCKMPFSMMJK-DGCLKSJQSA-N 2 0 296.415 -0.362 20 0 CBADRP CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1)[NH+](C)C ZINC000995929974 659920450 /nfs/dbraw/zinc/92/04/50/659920450.db2.gz XVHQGEWXAGZKOP-YPMHNXCESA-N 2 0 298.431 -0.116 20 0 CBADRP C[C@@H]1C[N@H+](CCO)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944944533 659938751 /nfs/dbraw/zinc/93/87/51/659938751.db2.gz NANAKMZPWYXGSF-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP Cc1nc(N2CCN3CC[NH2+]C[C@@H]3C2)cc(N(C)C)[nH+]1 ZINC001164392931 718829673 /nfs/dbraw/zinc/82/96/73/718829673.db2.gz SNHYGZMLMHERBK-GFCCVEGCSA-N 2 0 276.388 -0.055 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001076467792 805578690 /nfs/dbraw/zinc/57/86/90/805578690.db2.gz SMGNLJKEYHGGLD-MELADBBJSA-N 2 0 293.411 -0.004 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001076569009 805581317 /nfs/dbraw/zinc/58/13/17/805581317.db2.gz GPFSUCSLKSZNIJ-RWMBFGLXSA-N 2 0 267.373 -0.537 20 0 CBADRP COC[C@@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147894174 814924154 /nfs/dbraw/zinc/92/41/54/814924154.db2.gz ZXQQXYUPVGURQC-LLVKDONJSA-N 2 0 261.366 -0.695 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[NH2+]CCN1 ZINC000063124966 790342608 /nfs/dbraw/zinc/34/26/08/790342608.db2.gz BTWDLXPVYNZHLX-LBPRGKRZSA-N 2 0 254.378 -0.652 20 0 CBADRP O=C(NC[C@H]1CCC[N@@H+](CCO)C1)[C@H]1CCC[NH2+]1 ZINC000135409894 790392863 /nfs/dbraw/zinc/39/28/63/790392863.db2.gz MJUPGOUCSKPQAS-VXGBXAGGSA-N 2 0 255.362 -0.441 20 0 CBADRP C[NH+]1CCN(CCn2cc(C(C)(C)[NH3+])nn2)CC1 ZINC000214002753 790430050 /nfs/dbraw/zinc/43/00/50/790430050.db2.gz FGSZNMLKTOOSMR-UHFFFAOYSA-N 2 0 252.366 -0.281 20 0 CBADRP COCCOC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000234896459 790443046 /nfs/dbraw/zinc/44/30/46/790443046.db2.gz MIGZNUYOKIFLRS-QWHCGFSZSA-N 2 0 260.378 -0.058 20 0 CBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000234879777 790444287 /nfs/dbraw/zinc/44/42/87/790444287.db2.gz JWDYJDHLHQMLLI-FRRDWIJNSA-N 2 0 260.378 -0.073 20 0 CBADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](O)CO[C@@H](C)COC)C1 ZINC000300262165 790468186 /nfs/dbraw/zinc/46/81/86/790468186.db2.gz PYQXYJCIXCGKPW-AVGNSLFASA-N 2 0 260.378 -0.060 20 0 CBADRP O[C@@H](CN1CC[C@H](N2CC[NH2+]CC2)C1)C[NH+]1CCCC1 ZINC000381001089 790516796 /nfs/dbraw/zinc/51/67/96/790516796.db2.gz LBRHXEBMBMITPP-LSDHHAIUSA-N 2 0 282.432 -0.577 20 0 CBADRP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)CC1(O)CCOCC1 ZINC000381571001 790521890 /nfs/dbraw/zinc/52/18/90/790521890.db2.gz GOFWIBVIJLHFQI-CYBMUJFWSA-N 2 0 272.389 -0.084 20 0 CBADRP C[NH+](C)[C@@H]1[C@H]2CN(C[C@@H](O)C[N@H+](C)C3CC3)C[C@H]21 ZINC000385234185 790540265 /nfs/dbraw/zinc/54/02/65/790540265.db2.gz UPIJYVFRPDLTII-IGQOVBAYSA-N 2 0 253.390 -0.067 20 0 CBADRP C[NH+](C)[C@@H]1[C@H]2CN(C[C@H](O)C[N@H+](C)C3CC3)C[C@H]21 ZINC000385234192 790541137 /nfs/dbraw/zinc/54/11/37/790541137.db2.gz UPIJYVFRPDLTII-MQYQWHSLSA-N 2 0 253.390 -0.067 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000386169635 790544104 /nfs/dbraw/zinc/54/41/04/790544104.db2.gz CXEPAYXEZHTMIF-ZIAGYGMSSA-N 3 0 298.431 -0.770 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000386291128 790544376 /nfs/dbraw/zinc/54/43/76/790544376.db2.gz CVHHIKKKVWUEOM-CHWSQXEVSA-N 2 0 259.394 -0.405 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000386169632 790544980 /nfs/dbraw/zinc/54/49/80/790544980.db2.gz CXEPAYXEZHTMIF-UONOGXRCSA-N 3 0 298.431 -0.770 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000385937735 790545849 /nfs/dbraw/zinc/54/58/49/790545849.db2.gz LQPSRBZXHKDBLM-FRRDWIJNSA-N 2 0 259.394 -0.392 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@@H](C)[NH2+]C[C@H]1C ZINC000386343915 790547506 /nfs/dbraw/zinc/54/75/06/790547506.db2.gz LZCINABJRGQPDU-UPJWGTAASA-N 2 0 259.394 -0.392 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000388695372 790557345 /nfs/dbraw/zinc/55/73/45/790557345.db2.gz FBXKLOBDWYRPJZ-KGLIPLIRSA-N 2 0 273.421 -0.143 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000388696431 790558629 /nfs/dbraw/zinc/55/86/29/790558629.db2.gz FBXKLOBDWYRPJZ-ZIAGYGMSSA-N 2 0 273.421 -0.143 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000389242271 790561209 /nfs/dbraw/zinc/56/12/09/790561209.db2.gz BTAYFZDMKDOORN-HZSPNIEDSA-N 2 0 273.421 -0.050 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[C@](C)(C[NH3+])C1 ZINC000394133468 790576719 /nfs/dbraw/zinc/57/67/19/790576719.db2.gz OHPSKJUUHDHSKJ-CHWSQXEVSA-N 2 0 259.394 -0.404 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000395491566 790580172 /nfs/dbraw/zinc/58/01/72/790580172.db2.gz YYSLKMDFNFCEBW-AGIUHOORSA-N 2 0 257.378 -0.781 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402805594 790611298 /nfs/dbraw/zinc/61/12/98/790611298.db2.gz KMHJMUVSNVJBRX-ZNMIVQPWSA-N 3 0 285.432 -0.014 20 0 CBADRP CCC[NH+]1CCC(NS(=O)(=O)C2C[NH2+]C2)CC1 ZINC000405095954 790612705 /nfs/dbraw/zinc/61/27/05/790612705.db2.gz JKQZGYXMTIGRQR-UHFFFAOYSA-N 2 0 261.391 -0.248 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)C3C[NH2+]C3)CC[C@H]21 ZINC000405163645 790615451 /nfs/dbraw/zinc/61/54/51/790615451.db2.gz ZYZSPHHFQORBLW-ZYHUDNBSSA-N 2 0 273.402 -0.296 20 0 CBADRP CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000405208538 790616040 /nfs/dbraw/zinc/61/60/40/790616040.db2.gz BMSIZKPPXMMROT-AXFHLTTASA-N 2 0 273.402 -0.120 20 0 CBADRP CS(=O)(=O)N1CC[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000690675712 790672223 /nfs/dbraw/zinc/67/22/23/790672223.db2.gz SKBFEMGLOAZXPB-QQOHENMQSA-N 2 0 299.440 -0.146 20 0 CBADRP O=C1CCC(=O)N1CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000692173491 790676013 /nfs/dbraw/zinc/67/60/13/790676013.db2.gz NZEXDZKDFJDRPD-WDEREUQCSA-N 2 0 251.330 -0.323 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000692012306 790676358 /nfs/dbraw/zinc/67/63/58/790676358.db2.gz CCFUKJHJKPLGDP-UTUOFQBUSA-N 2 0 255.362 -0.036 20 0 CBADRP O=S1(=O)CCCN1CCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000695115048 790687721 /nfs/dbraw/zinc/68/77/21/790687721.db2.gz MZZWCUHMZKWECN-LBPRGKRZSA-N 2 0 273.402 -0.293 20 0 CBADRP C[C@H]1CN(CCN2CCCS2(=O)=O)CC[C@@H]1[NH3+] ZINC000695042660 790687119 /nfs/dbraw/zinc/68/71/19/790687119.db2.gz OHFFPCSZDUWVKP-QWRGUYRKSA-N 2 0 261.391 -0.309 20 0 CBADRP C[C@@H](CCNS(=O)(=O)[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000697905708 790693910 /nfs/dbraw/zinc/69/39/10/790693910.db2.gz HIFBNWMJIMZSSD-WDEREUQCSA-N 2 0 263.407 -0.002 20 0 CBADRP C[N@H+](C[C@H](O)CNC[C@@]1(O)CC[NH+](C)C1)C1CC1 ZINC000702561635 790721909 /nfs/dbraw/zinc/72/19/09/790721909.db2.gz JHVGNCRZEOECGV-OLZOCXBDSA-N 2 0 257.378 -0.902 20 0 CBADRP CNC(=O)CN1CCC([NH2+][C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000709357264 790737035 /nfs/dbraw/zinc/73/70/35/790737035.db2.gz QDDOMQKJAVYMTR-DGCLKSJQSA-N 2 0 268.405 -0.073 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000711246693 790744521 /nfs/dbraw/zinc/74/45/21/790744521.db2.gz AMCKYJJQLPVUTD-CHWSQXEVSA-N 2 0 280.416 -0.262 20 0 CBADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)N1CCNCC1=O ZINC000719445247 790760220 /nfs/dbraw/zinc/76/02/20/790760220.db2.gz VZLRTPPFQLSVSW-GMTAPVOTSA-N 2 0 268.361 -0.985 20 0 CBADRP CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000720514013 790765700 /nfs/dbraw/zinc/76/57/00/790765700.db2.gz SMMDJDAQNPJWNI-UONOGXRCSA-N 2 0 280.416 -0.023 20 0 CBADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CN1CC[NH2+]CC1 ZINC000720892979 790772353 /nfs/dbraw/zinc/77/23/53/790772353.db2.gz ABCSAGLBUUDWTH-CHWSQXEVSA-N 2 0 266.389 -0.413 20 0 CBADRP CN1C[C@@H](C(=O)NCCN2CCC([NH3+])CC2)CC1=O ZINC000721900997 790785324 /nfs/dbraw/zinc/78/53/24/790785324.db2.gz FYBLLDNTHJQELV-JTQLQIEISA-N 2 0 268.361 -0.996 20 0 CBADRP COC[C@@H](C)OC[C@@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723844229 790801122 /nfs/dbraw/zinc/80/11/22/790801122.db2.gz LRUFLFYXMKNFLH-LPWJVIDDSA-N 2 0 260.378 -0.075 20 0 CBADRP C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](CC[NH3+])C2)CCO1 ZINC000723671351 790802134 /nfs/dbraw/zinc/80/21/34/790802134.db2.gz APHOGRNDWSQLBN-NWDGAFQWSA-N 2 0 255.362 -0.096 20 0 CBADRP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](CC[NH3+])C2)CC1 ZINC000723694735 790803120 /nfs/dbraw/zinc/80/31/20/790803120.db2.gz HRZRLXHNKRMIQM-ZDUSSCGKSA-N 2 0 282.388 -0.652 20 0 CBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](CC[NH3+])C2)CCO1 ZINC000723671353 790803434 /nfs/dbraw/zinc/80/34/34/790803434.db2.gz APHOGRNDWSQLBN-VXGBXAGGSA-N 2 0 255.362 -0.096 20 0 CBADRP [NH3+]CC1(O)CC[NH+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1 ZINC000724589043 790807568 /nfs/dbraw/zinc/80/75/68/790807568.db2.gz FFOLXVXRJFBTMT-GRYCIOLGSA-N 2 0 256.346 -0.424 20 0 CBADRP C[NH2+]CC1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000823977774 790857351 /nfs/dbraw/zinc/85/73/51/790857351.db2.gz YOVDAYBAHNPUFI-UHFFFAOYSA-N 2 0 276.406 -0.932 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866821827 790902356 /nfs/dbraw/zinc/90/23/56/790902356.db2.gz AVYOMYJPIOFEDX-SDDRHHMPSA-N 2 0 289.401 -0.869 20 0 CBADRP CN(CC[N@H+](C)CCO)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000912598411 790915063 /nfs/dbraw/zinc/91/50/63/790915063.db2.gz DOKDTPUVZDEJQN-UHFFFAOYSA-N 2 0 297.403 -0.559 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020675679 790939438 /nfs/dbraw/zinc/93/94/38/790939438.db2.gz ARDLCSNVKWBJJB-AVGNSLFASA-N 2 0 296.415 -0.029 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001021897563 790965782 /nfs/dbraw/zinc/96/57/82/790965782.db2.gz MRFUCULHEOQVPX-XQHKEYJVSA-N 2 0 294.399 -0.404 20 0 CBADRP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001021898328 790966988 /nfs/dbraw/zinc/96/69/88/790966988.db2.gz XAHLKCSCZXKUGG-LOWVWBTDSA-N 2 0 292.387 -0.354 20 0 CBADRP CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001021904759 790969300 /nfs/dbraw/zinc/96/93/00/790969300.db2.gz CLDPZTYMWPRUDL-QNWHQSFQSA-N 2 0 294.399 -0.452 20 0 CBADRP CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1=O ZINC001021904764 790969678 /nfs/dbraw/zinc/96/96/78/790969678.db2.gz CLDPZTYMWPRUDL-XQHKEYJVSA-N 2 0 294.399 -0.452 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022071422 790986761 /nfs/dbraw/zinc/98/67/61/790986761.db2.gz PNXZGEMKLJLBTK-GRYCIOLGSA-N 2 0 282.388 -0.419 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)CC[N@@H+]1C ZINC001022103733 790989602 /nfs/dbraw/zinc/98/96/02/790989602.db2.gz MKMNTDMSBFWBQU-WISYIIOYSA-N 2 0 255.362 -0.444 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001022089873 790989693 /nfs/dbraw/zinc/98/96/93/790989693.db2.gz NGSLLWPSQCSRHJ-ZZVYKPCYSA-N 2 0 281.400 -0.054 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)C(N)=O ZINC001022090145 790989704 /nfs/dbraw/zinc/98/97/04/790989704.db2.gz UAZBKTWAYXYJQI-FOUMNBMASA-N 2 0 294.399 -0.561 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)C(N)=O ZINC001022090155 790989923 /nfs/dbraw/zinc/98/99/23/790989923.db2.gz UAZBKTWAYXYJQI-XEZLXBQYSA-N 2 0 294.399 -0.561 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001022164875 790993896 /nfs/dbraw/zinc/99/38/96/790993896.db2.gz SNNYANZNADZLNS-NDBYEHHHSA-N 2 0 296.415 -0.029 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001022277455 791001713 /nfs/dbraw/zinc/00/17/13/791001713.db2.gz ANVGSNPIDCSWSI-QNWHQSFQSA-N 2 0 294.399 -0.275 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022350394 791006350 /nfs/dbraw/zinc/00/63/50/791006350.db2.gz LOYCGYVKWLBEMH-XQQFMLRXSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001022646329 791038862 /nfs/dbraw/zinc/03/88/62/791038862.db2.gz JNXLWPJBRQYHLE-FRRDWIJNSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001022715976 791041112 /nfs/dbraw/zinc/04/11/12/791041112.db2.gz OZQFXYJTPGIYSB-XQHKEYJVSA-N 2 0 269.389 -0.054 20 0 CBADRP O=C(N[C@@H]1C[N@@H+](CCCF)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077007591 805671076 /nfs/dbraw/zinc/67/10/76/805671076.db2.gz TWSIUIJEODEWAE-MGPQQGTHSA-N 2 0 299.390 -0.151 20 0 CBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@H]1CCCCO1 ZINC001147894048 814924560 /nfs/dbraw/zinc/92/45/60/814924560.db2.gz ZFLUYIQLRIPXDO-CYBMUJFWSA-N 2 0 287.404 -0.161 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077300072 805717388 /nfs/dbraw/zinc/71/73/88/805717388.db2.gz XAEDLZKIPQCHCV-VXGBXAGGSA-N 2 0 267.373 -0.204 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001077675721 805768641 /nfs/dbraw/zinc/76/86/41/805768641.db2.gz WPOMACMLOBNKPT-JHJVBQTASA-N 2 0 285.388 -0.986 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCCF)C[C@H]2O)C1 ZINC001078006147 805823666 /nfs/dbraw/zinc/82/36/66/805823666.db2.gz UEPJMOUUFSJOPV-YNEHKIRRSA-N 2 0 287.379 -0.151 20 0 CBADRP COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011948 805821291 /nfs/dbraw/zinc/82/12/91/805821291.db2.gz OWIAIABQPMMKGX-JHJVBQTASA-N 2 0 297.399 -0.722 20 0 CBADRP CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078175370 805847804 /nfs/dbraw/zinc/84/78/04/805847804.db2.gz YLVXEMLSZOUZOZ-JHJVBQTASA-N 2 0 269.389 -0.101 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@H]2O)C1 ZINC001078174315 805851311 /nfs/dbraw/zinc/85/13/11/805851311.db2.gz HYMFIYJMADGMOT-QJPTWQEYSA-N 2 0 273.352 -0.541 20 0 CBADRP C[C@@H](CCNC(=O)CC[NH+](C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001078200332 805857301 /nfs/dbraw/zinc/85/73/01/805857301.db2.gz TWWQOEMCIPGMEZ-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP Cc1cncn1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001080138327 805960683 /nfs/dbraw/zinc/96/06/83/805960683.db2.gz FWXXDIGXQRDVKS-ZYHUDNBSSA-N 2 0 266.345 -0.380 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001147977008 814927351 /nfs/dbraw/zinc/92/73/51/814927351.db2.gz GDYTYLGRIIDCCQ-GFCCVEGCSA-N 2 0 294.399 -0.591 20 0 CBADRP CN1CCC[C@H]([NH2+]CCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001147977832 814927980 /nfs/dbraw/zinc/92/79/80/814927980.db2.gz XWGPPUABDSLZNS-LBPRGKRZSA-N 2 0 294.399 -0.591 20 0 CBADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095705 806145029 /nfs/dbraw/zinc/14/50/29/806145029.db2.gz DZCOHHXBFCVYFQ-CHWSQXEVSA-N 2 0 285.388 -0.864 20 0 CBADRP COCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082095878 806145593 /nfs/dbraw/zinc/14/55/93/806145593.db2.gz MWWZGEVZSZYTRZ-ZIAGYGMSSA-N 2 0 299.415 -0.210 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001147994743 814929225 /nfs/dbraw/zinc/92/92/25/814929225.db2.gz NWUIZOLMRNBLQY-JTQLQIEISA-N 2 0 268.361 -0.948 20 0 CBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326498 806164371 /nfs/dbraw/zinc/16/43/71/806164371.db2.gz GNWWBDLXCFULJT-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP COCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326826 806165557 /nfs/dbraw/zinc/16/55/57/806165557.db2.gz RLDFHGBYDZUVTL-MGPQQGTHSA-N 2 0 299.415 -0.210 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C)C(N)=O ZINC001082557618 806186005 /nfs/dbraw/zinc/18/60/05/806186005.db2.gz TYLQYWIGMQKKCH-IJLUTSLNSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CCO ZINC001082559311 806186420 /nfs/dbraw/zinc/18/64/20/806186420.db2.gz AYLYEJMAXXGWFD-RTXFEEFZSA-N 2 0 269.389 -0.245 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CC(N)=O ZINC001082705417 806191793 /nfs/dbraw/zinc/19/17/93/806191793.db2.gz BIIOCBGAPKYWHD-MROQNXINSA-N 2 0 296.415 -0.362 20 0 CBADRP O=C(NCC[NH2+]C[C@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001147994650 814929570 /nfs/dbraw/zinc/92/95/70/814929570.db2.gz NKSZQCGXZMGLDK-GFCCVEGCSA-N 2 0 267.373 -0.176 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCO ZINC001082921129 806199032 /nfs/dbraw/zinc/19/90/32/806199032.db2.gz XUGAVDQFLJIRSX-IJLUTSLNSA-N 2 0 255.362 -0.633 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C ZINC001147995059 814929692 /nfs/dbraw/zinc/92/96/92/814929692.db2.gz XMAOETBPOIPIRQ-LLVKDONJSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083602468 806382815 /nfs/dbraw/zinc/38/28/15/806382815.db2.gz XAEDLZKIPQCHCV-NEPJUHHUSA-N 2 0 267.373 -0.204 20 0 CBADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)CC1 ZINC001083832909 806442564 /nfs/dbraw/zinc/44/25/64/806442564.db2.gz ACZVYOGZUUUQLJ-KGLIPLIRSA-N 2 0 299.415 -0.738 20 0 CBADRP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083958376 806470984 /nfs/dbraw/zinc/47/09/84/806470984.db2.gz CFJISMAYZBTAMP-XQQFMLRXSA-N 2 0 297.399 -0.722 20 0 CBADRP CC(C)C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083957481 806471136 /nfs/dbraw/zinc/47/11/36/806471136.db2.gz APJKHGANAFSJFF-OLZOCXBDSA-N 2 0 281.400 -0.101 20 0 CBADRP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083958375 806471239 /nfs/dbraw/zinc/47/12/39/806471239.db2.gz CFJISMAYZBTAMP-UPJWGTAASA-N 2 0 297.399 -0.722 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2O)C1 ZINC001084053533 806481563 /nfs/dbraw/zinc/48/15/63/806481563.db2.gz BBMHUGMXOOJQBU-UPJWGTAASA-N 2 0 267.373 -0.491 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001084778038 806534618 /nfs/dbraw/zinc/53/46/18/806534618.db2.gz CASNHUCZPQBSAG-MGPQQGTHSA-N 2 0 293.411 -0.004 20 0 CBADRP O=C(N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084778381 806535041 /nfs/dbraw/zinc/53/50/41/806535041.db2.gz UYSNJIPBDDIFMJ-ZIAGYGMSSA-N 2 0 293.411 -0.003 20 0 CBADRP Cn1cncc1CCC(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084806000 806537539 /nfs/dbraw/zinc/53/75/39/806537539.db2.gz RUABNQIARNPSCO-TZMCWYRMSA-N 2 0 292.383 -0.122 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)C1 ZINC001085393797 806555225 /nfs/dbraw/zinc/55/52/25/806555225.db2.gz KTNZVSGTDLOGQK-YNEHKIRRSA-N 2 0 296.415 -0.170 20 0 CBADRP CN(C[C@H]1CC[N@@H+]1CCCO)C(=O)[C@H]1CCC[NH+]1C ZINC001085519774 806571279 /nfs/dbraw/zinc/57/12/79/806571279.db2.gz XIZSEPQKJZRCQV-CHWSQXEVSA-N 2 0 269.389 -0.004 20 0 CBADRP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085972966 806626453 /nfs/dbraw/zinc/62/64/53/806626453.db2.gz LSFCJXLINIARRO-RYUDHWBXSA-N 2 0 255.362 -0.537 20 0 CBADRP CN(C[C@H]1CC[N@@H+]1CCCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085973516 806630026 /nfs/dbraw/zinc/63/00/26/806630026.db2.gz YXDHLQBMIONSPX-CHWSQXEVSA-N 2 0 269.389 -0.147 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022806804 798842276 /nfs/dbraw/zinc/84/22/76/798842276.db2.gz ARDLCSNVKWBJJB-XQQFMLRXSA-N 2 0 296.415 -0.029 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001022838391 798843158 /nfs/dbraw/zinc/84/31/58/798843158.db2.gz MNXUATOKEDRXLT-YVECIDJPSA-N 2 0 294.399 -0.275 20 0 CBADRP C[C@H]([NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1)C(N)=O ZINC001022885896 798864233 /nfs/dbraw/zinc/86/42/33/798864233.db2.gz VFNMZCDTNRQZID-RWMBFGLXSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001022975869 798870615 /nfs/dbraw/zinc/87/06/15/798870615.db2.gz VYCJSWIYMWPGRM-ZDEQEGDKSA-N 2 0 269.389 -0.054 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022984746 798872331 /nfs/dbraw/zinc/87/23/31/798872331.db2.gz NGZDFYIOYNOZGE-AOOOYVTPSA-N 2 0 291.355 -0.517 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001022976702 798872403 /nfs/dbraw/zinc/87/24/03/798872403.db2.gz FBXLEOUQAWQYKE-SDDRHHMPSA-N 2 0 255.362 -0.443 20 0 CBADRP Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001023086299 798880050 /nfs/dbraw/zinc/88/00/50/798880050.db2.gz HJJZAOXJEHXOTB-SDDRHHMPSA-N 2 0 292.387 -0.198 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001023125892 798885257 /nfs/dbraw/zinc/88/52/57/798885257.db2.gz ZSKKORDICHFBDT-BKUVIOGVSA-N 2 0 282.388 -0.419 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001023131011 798885507 /nfs/dbraw/zinc/88/55/07/798885507.db2.gz SUAAEHKRKUYAQA-TUAOUCFPSA-N 2 0 282.388 -0.417 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001023128670 798885799 /nfs/dbraw/zinc/88/57/99/798885799.db2.gz OBEZOPXPIHQYGN-NDBYEHHHSA-N 2 0 296.415 -0.029 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025707968 798971251 /nfs/dbraw/zinc/97/12/51/798971251.db2.gz FCKCCKMHBQAIPP-FPYNETTCSA-N 2 0 292.383 -0.985 20 0 CBADRP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025799046 798976788 /nfs/dbraw/zinc/97/67/88/798976788.db2.gz QLHFHQFOPFVXOK-RGDJUOJXSA-N 2 0 279.384 -0.084 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001025794042 798977271 /nfs/dbraw/zinc/97/72/71/798977271.db2.gz OKIZDJQWQJOAGE-KJKVDNPUSA-N 2 0 281.400 -0.246 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC001025820338 798979203 /nfs/dbraw/zinc/97/92/03/798979203.db2.gz OBNCYJOSAOJYNU-ODXJTPSBSA-N 2 0 281.400 -0.102 20 0 CBADRP C[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001026040831 798987704 /nfs/dbraw/zinc/98/77/04/798987704.db2.gz IMOWJWRTYBPPDK-ZXPJVPCYSA-N 2 0 294.399 -0.609 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001026148919 798992319 /nfs/dbraw/zinc/99/23/19/798992319.db2.gz FNBCLCWPVSVQQN-NTASLKFISA-N 2 0 281.400 -0.102 20 0 CBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001026148921 798992836 /nfs/dbraw/zinc/99/28/36/798992836.db2.gz FNBCLCWPVSVQQN-XOBFJNJYSA-N 2 0 281.400 -0.102 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001026146079 798992985 /nfs/dbraw/zinc/99/29/85/798992985.db2.gz SMOKTVWKUVFTMI-IEECTRCBSA-N 2 0 294.399 -0.752 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001026146080 798993750 /nfs/dbraw/zinc/99/37/50/798993750.db2.gz SMOKTVWKUVFTMI-KIJLLGNVSA-N 2 0 294.399 -0.752 20 0 CBADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@H]2C1 ZINC001026420108 799004471 /nfs/dbraw/zinc/00/44/71/799004471.db2.gz DFECFUNZVZBKLY-IHRRRGAJSA-N 2 0 281.400 -0.099 20 0 CBADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@@H]2C1 ZINC001026420110 799004507 /nfs/dbraw/zinc/00/45/07/799004507.db2.gz DFECFUNZVZBKLY-MJBXVCDLSA-N 2 0 281.400 -0.099 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]CCO)CC2)C1 ZINC001026605421 799010768 /nfs/dbraw/zinc/01/07/68/799010768.db2.gz OSCNWGXKBCIEPN-PNESKVBLSA-N 2 0 269.389 -0.053 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCO ZINC001027789321 799079251 /nfs/dbraw/zinc/07/92/51/799079251.db2.gz HFHKRHFDPUJYFW-NWDGAFQWSA-N 2 0 255.362 -0.347 20 0 CBADRP O=C(NC[C@@H]1CCC[N@H+]1CCO)C12CC[NH+](CC1)C2 ZINC001028267687 799119047 /nfs/dbraw/zinc/11/90/47/799119047.db2.gz LLXCJWPSZHNVLW-LBPRGKRZSA-N 2 0 267.373 -0.345 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001028447247 799137940 /nfs/dbraw/zinc/13/79/40/799137940.db2.gz NZGKEAXNPBIPHA-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001028537741 799150167 /nfs/dbraw/zinc/15/01/67/799150167.db2.gz REHWVRJKKZHPHQ-QWHCGFSZSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001028537742 799150297 /nfs/dbraw/zinc/15/02/97/799150297.db2.gz REHWVRJKKZHPHQ-STQMWFEESA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001028550134 799151803 /nfs/dbraw/zinc/15/18/03/799151803.db2.gz ILUBURGONXAHIA-GRYCIOLGSA-N 2 0 282.388 -0.750 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001028635693 799156033 /nfs/dbraw/zinc/15/60/33/799156033.db2.gz DWDFUUDQMBWSDZ-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CCO)C2)C1 ZINC001028757212 799166504 /nfs/dbraw/zinc/16/65/04/799166504.db2.gz AYDYQWFNPIOJOY-KGLIPLIRSA-N 2 0 299.415 -0.474 20 0 CBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CCO)C2)C1 ZINC001028757216 799166657 /nfs/dbraw/zinc/16/66/57/799166657.db2.gz AYDYQWFNPIOJOY-ZIAGYGMSSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028931417 799181194 /nfs/dbraw/zinc/18/11/94/799181194.db2.gz QEFGLHARROQYSC-VXGBXAGGSA-N 2 0 294.399 -0.606 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](CCCO)C2)C1 ZINC001028982438 799184028 /nfs/dbraw/zinc/18/40/28/799184028.db2.gz KWYAFCDYMGTZSD-OLZOCXBDSA-N 2 0 269.389 -0.241 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028986147 799184846 /nfs/dbraw/zinc/18/48/46/799184846.db2.gz PVRLRXNTBCCEIR-QWHCGFSZSA-N 2 0 296.415 -0.536 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCO)CC[N@@H+]1C ZINC001029313833 799194856 /nfs/dbraw/zinc/19/48/56/799194856.db2.gz OJLMHGVAZVPDQW-YIYPIFLZSA-N 2 0 281.400 -0.006 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001029473846 799200650 /nfs/dbraw/zinc/20/06/50/799200650.db2.gz VYLLWZVONPYSSA-MELADBBJSA-N 2 0 281.400 -0.004 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1)[NH+](C)C ZINC001030019492 799211167 /nfs/dbraw/zinc/21/11/67/799211167.db2.gz YZCCFHXONFNJEC-RWMBFGLXSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC001030021607 799214478 /nfs/dbraw/zinc/21/44/78/799214478.db2.gz FKHMPERYHUUPLC-WOPDTQHZSA-N 2 0 284.404 -0.219 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCCO)C1 ZINC001031578497 799512114 /nfs/dbraw/zinc/51/21/14/799512114.db2.gz ZGSWXNIEMMXQSN-GFCCVEGCSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031585195 799514198 /nfs/dbraw/zinc/51/41/98/799514198.db2.gz RTXOZECDOACLPH-ZYHUDNBSSA-N 2 0 255.362 -0.491 20 0 CBADRP O=C(NCC1C[NH+](CCCO)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031688226 799533143 /nfs/dbraw/zinc/53/31/43/799533143.db2.gz ATDJGQLZPRXDJQ-UONOGXRCSA-N 2 0 297.399 -0.720 20 0 CBADRP COCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031977423 799568350 /nfs/dbraw/zinc/56/83/50/799568350.db2.gz ZPIFJXNHWJORTJ-WCQYABFASA-N 2 0 269.389 -0.122 20 0 CBADRP COCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031977421 799568601 /nfs/dbraw/zinc/56/86/01/799568601.db2.gz ZPIFJXNHWJORTJ-AAEUAGOBSA-N 2 0 269.389 -0.122 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001032205906 799593502 /nfs/dbraw/zinc/59/35/02/799593502.db2.gz MFMVVPYLEOLKBK-CYBMUJFWSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCO)C1 ZINC001032781335 799667242 /nfs/dbraw/zinc/66/72/42/799667242.db2.gz RBDBHLCMVYOSBU-AGIUHOORSA-N 2 0 267.373 -0.394 20 0 CBADRP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCO)C1 ZINC001033398160 799751150 /nfs/dbraw/zinc/75/11/50/799751150.db2.gz WCNUMPOKZNMMLF-ZDUSSCGKSA-N 2 0 269.389 -0.147 20 0 CBADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCO)C1 ZINC001034040571 799806412 /nfs/dbraw/zinc/80/64/12/799806412.db2.gz VNLDUTZGIXDFTA-STQMWFEESA-N 2 0 269.389 -0.147 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(C[NH+](CCO)C2)CC1 ZINC001035668994 799958811 /nfs/dbraw/zinc/95/88/11/799958811.db2.gz NBMRNZPAYPRLEP-CYBMUJFWSA-N 2 0 281.400 -0.003 20 0 CBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1[NH2+]CCO ZINC001036266531 799985278 /nfs/dbraw/zinc/98/52/78/799985278.db2.gz NWVDDLGVVBSYQK-QWHCGFSZSA-N 2 0 281.400 -0.099 20 0 CBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1[NH2+]CCO ZINC001036266529 799985634 /nfs/dbraw/zinc/98/56/34/799985634.db2.gz NWVDDLGVVBSYQK-OLZOCXBDSA-N 2 0 281.400 -0.099 20 0 CBADRP O=C(NC[C@@H]1CC[N@H+]1CCCO)C12CC[NH+](CC1)C2 ZINC001038918653 801265578 /nfs/dbraw/zinc/26/55/78/801265578.db2.gz FHJSJMPGNOMASB-LBPRGKRZSA-N 2 0 267.373 -0.345 20 0 CBADRP O=C(NC[C@H]1CC[N@H+]1CCCO)C12CC[NH+](CC1)C2 ZINC001038918649 801267114 /nfs/dbraw/zinc/26/71/14/801267114.db2.gz FHJSJMPGNOMASB-GFCCVEGCSA-N 2 0 267.373 -0.345 20 0 CBADRP O=C(Cc1ncc[nH]1)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001041758961 801418569 /nfs/dbraw/zinc/41/85/69/801418569.db2.gz OFKXRBFPAOVOBL-CQSZACIVSA-N 2 0 278.356 -0.131 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@]3(CC[NH+](CCO)C3)C2)C1 ZINC001041830384 801421938 /nfs/dbraw/zinc/42/19/38/801421938.db2.gz GWWBJALIKLKBKN-DZGCQCFKSA-N 2 0 281.400 -0.145 20 0 CBADRP O=C(N1CC[C@]2(CC[N@@H+](CCO)C2)C1)C12CC[NH+](CC1)C2 ZINC001041789609 801422076 /nfs/dbraw/zinc/42/20/76/801422076.db2.gz RYTCOZYISPSTMO-HNNXBMFYSA-N 2 0 293.411 -0.001 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001041832982 801422574 /nfs/dbraw/zinc/42/25/74/801422574.db2.gz JQDDFHGEXUUJON-OAHLLOKOSA-N 2 0 281.400 -0.001 20 0 CBADRP O=C(N1CC[C@@H]2CC[N@@H+](CCO)[C@H]2C1)C12CC[NH+](CC1)C2 ZINC001042314802 801458170 /nfs/dbraw/zinc/45/81/70/801458170.db2.gz WUCOCKPWTAMDPL-KBPBESRZSA-N 2 0 293.411 -0.003 20 0 CBADRP O=C(N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1)C12CC[NH+](CC1)C2 ZINC001042314803 801459328 /nfs/dbraw/zinc/45/93/28/801459328.db2.gz WUCOCKPWTAMDPL-KGLIPLIRSA-N 2 0 293.411 -0.003 20 0 CBADRP CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047324108 801833204 /nfs/dbraw/zinc/83/32/04/801833204.db2.gz IPSDGXJGPPJDAW-AGIUHOORSA-N 2 0 269.389 -0.006 20 0 CBADRP CO[C@@H](C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047484343 801883149 /nfs/dbraw/zinc/88/31/49/801883149.db2.gz UPYRQXXFWWHMOE-CRWXNKLISA-N 2 0 299.415 -0.381 20 0 CBADRP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047511340 801889823 /nfs/dbraw/zinc/88/98/23/801889823.db2.gz WOHYNADMEKMUMX-KBPBESRZSA-N 2 0 299.415 -0.522 20 0 CBADRP COC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047627087 801914901 /nfs/dbraw/zinc/91/49/01/801914901.db2.gz JNZMSZCZYATGIE-IHRRRGAJSA-N 2 0 299.415 -0.379 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1 ZINC001048723972 801957363 /nfs/dbraw/zinc/95/73/63/801957363.db2.gz RQWBKBMSRJVMKM-XQQFMLRXSA-N 2 0 267.373 -0.537 20 0 CBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001048823579 801970856 /nfs/dbraw/zinc/97/08/56/801970856.db2.gz FKCLKAPRAIUNLD-QLFBSQMISA-N 2 0 293.411 -0.289 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1)C1CC1 ZINC001048863955 801976023 /nfs/dbraw/zinc/97/60/23/801976023.db2.gz QXGFSOCJJYVBCK-MBNYWOFBSA-N 2 0 294.399 -0.798 20 0 CBADRP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)CCC1 ZINC001048860330 801976566 /nfs/dbraw/zinc/97/65/66/801976566.db2.gz PPQYSVRJIVKYJR-TXEJJXNPSA-N 2 0 294.399 -0.654 20 0 CBADRP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1)[NH+](C)C ZINC001048888715 801978529 /nfs/dbraw/zinc/97/85/29/801978529.db2.gz VMIGUOFMNFOMMA-FRRDWIJNSA-N 2 0 269.389 -0.291 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCO)C[C@@H]2C1 ZINC001049059957 801996135 /nfs/dbraw/zinc/99/61/35/801996135.db2.gz KJGNYFZFRLCATC-BYNSBNAKSA-N 2 0 295.427 -0.043 20 0 CBADRP C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001049217336 802008029 /nfs/dbraw/zinc/00/80/29/802008029.db2.gz MYWJDFNYNVSTBR-MCIONIFRSA-N 2 0 281.400 -0.147 20 0 CBADRP C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049213883 802009249 /nfs/dbraw/zinc/00/92/49/802009249.db2.gz XEZPEJZDUUCASO-SYQHCUMBSA-N 2 0 281.400 -0.291 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)CC2)CC1 ZINC001052677310 802213208 /nfs/dbraw/zinc/21/32/08/802213208.db2.gz PDNNKSOGJHSMQP-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052868739 802223145 /nfs/dbraw/zinc/22/31/45/802223145.db2.gz XNJKLJSEYDFGKD-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052932800 802224358 /nfs/dbraw/zinc/22/43/58/802224358.db2.gz SEZZTKACKSFVGF-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC001054296432 802331256 /nfs/dbraw/zinc/33/12/56/802331256.db2.gz FKHMPERYHUUPLC-IJLUTSLNSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1[NH2+]CC(N)=O ZINC001054968567 802382776 /nfs/dbraw/zinc/38/27/76/802382776.db2.gz KCZDILWIFHEBSW-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148216407 814934320 /nfs/dbraw/zinc/93/43/20/814934320.db2.gz PONVBHMZGVMARD-GFCCVEGCSA-N 2 0 269.389 -0.147 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NCC[NH2+]C2CC2)nn1 ZINC001118131889 812474773 /nfs/dbraw/zinc/47/47/73/812474773.db2.gz NRRZQCWJOWNXPD-UHFFFAOYSA-N 2 0 252.322 -0.891 20 0 CBADRP CN1CC[NH+](CCCC[NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001118148824 812479287 /nfs/dbraw/zinc/47/92/87/812479287.db2.gz XKPOJLSHWNLABI-OAHLLOKOSA-N 2 0 295.431 -0.139 20 0 CBADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCN1CC[NH2+]CC1)CC2 ZINC001119682690 812865968 /nfs/dbraw/zinc/86/59/68/812865968.db2.gz RFAGFKUCNPWIOU-CQSZACIVSA-N 3 0 282.432 -0.279 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC001119682426 812866492 /nfs/dbraw/zinc/86/64/92/812866492.db2.gz JDTAGMNNSKGTAD-NDKCEZKHSA-N 2 0 269.389 -0.632 20 0 CBADRP CCC[NH2+]CCNC(=O)c1ccn(CCC[NH3+])n1 ZINC001121930955 813091475 /nfs/dbraw/zinc/09/14/75/813091475.db2.gz ZLMINORJAWAHRN-UHFFFAOYSA-N 2 0 253.350 -0.039 20 0 CBADRP [NH3+]CCNCC(=O)N(CC[NH3+])CCc1ccccc1 ZINC001122018270 813104907 /nfs/dbraw/zinc/10/49/07/813104907.db2.gz ISORFZPWWBSTLQ-UHFFFAOYSA-N 2 0 264.373 -0.435 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001122021760 813105051 /nfs/dbraw/zinc/10/50/51/813105051.db2.gz OAXGUKOAMDSOHT-SDDRHHMPSA-N 2 0 252.362 -0.900 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]C ZINC001122101151 813117686 /nfs/dbraw/zinc/11/76/86/813117686.db2.gz XOUQEXPWTVVGTI-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001122103239 813118324 /nfs/dbraw/zinc/11/83/24/813118324.db2.gz XCSDUZCEFMIVKD-GIPNMCIBSA-N 2 0 266.345 -0.167 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]C ZINC001122101153 813118382 /nfs/dbraw/zinc/11/83/82/813118382.db2.gz XOUQEXPWTVVGTI-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP [NH3+]CC1(CCNC(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001122128077 813121216 /nfs/dbraw/zinc/12/12/16/813121216.db2.gz ZYYKXFJCTJCMTL-ZDUSSCGKSA-N 2 0 255.362 -0.264 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CC[NH2+]CCC12CCC2 ZINC001122127871 813121434 /nfs/dbraw/zinc/12/14/34/813121434.db2.gz GUYLYVYQIRIJME-LBPRGKRZSA-N 2 0 266.389 -0.365 20 0 CBADRP CCC1([NH3+])CCN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001122132008 813121580 /nfs/dbraw/zinc/12/15/80/813121580.db2.gz PKHUKWFUKJTZPM-CMPLNLGQSA-N 2 0 255.362 -0.171 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[NH2+]CCC12CCC2 ZINC001122127866 813121750 /nfs/dbraw/zinc/12/17/50/813121750.db2.gz GUYLYVYQIRIJME-GFCCVEGCSA-N 2 0 266.389 -0.365 20 0 CBADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001122176160 813128230 /nfs/dbraw/zinc/12/82/30/813128230.db2.gz VGVBYZJZSOMWJD-MBNYWOFBSA-N 2 0 267.373 -0.441 20 0 CBADRP O=C(N1CCC[C@H]([NH2+]CCO)C1)[C@@]1(F)CC[NH2+]C1 ZINC001122173741 813128263 /nfs/dbraw/zinc/12/82/63/813128263.db2.gz LJWFEZNXNUGNBD-CMPLNLGQSA-N 2 0 259.325 -0.739 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC001122367753 813154955 /nfs/dbraw/zinc/15/49/55/813154955.db2.gz BUKDQBBXEHKADQ-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H](NC(=O)CC(C)(C)[NH3+])[C@@H]1C[N@H+](C)CCN1C ZINC001122449126 813166688 /nfs/dbraw/zinc/16/66/88/813166688.db2.gz SSMAVCBPGSEKHR-QWRGUYRKSA-N 2 0 256.394 -0.136 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NCC[C@H]1CCC[NH2+]CC1 ZINC001122504463 813172358 /nfs/dbraw/zinc/17/23/58/813172358.db2.gz HCHLGHQBKQOEIW-ZDUSSCGKSA-N 2 0 268.405 -0.212 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129356811 813837799 /nfs/dbraw/zinc/83/77/99/813837799.db2.gz INBCQMGBPSREEP-UHFFFAOYSA-N 2 0 270.377 -0.735 20 0 CBADRP C[NH+](C)C1(C(=O)NCC[NH2+]CCn2cncn2)CCC1 ZINC001129357495 813838120 /nfs/dbraw/zinc/83/81/20/813838120.db2.gz MLUIZBHASAFODK-UHFFFAOYSA-N 2 0 280.376 -0.532 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001133294795 814237237 /nfs/dbraw/zinc/23/72/37/814237237.db2.gz UQDYDHMAUQBVTB-UHFFFAOYSA-N 2 0 292.383 -0.057 20 0 CBADRP Cn1cc(CC[NH2+]CCNC(=O)CC[NH+](C)C)cn1 ZINC001133290966 814237397 /nfs/dbraw/zinc/23/73/97/814237397.db2.gz GGXXFJHGIVQZPS-UHFFFAOYSA-N 2 0 267.377 -0.380 20 0 CBADRP CCS(=O)(=O)CCC[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133291244 814237957 /nfs/dbraw/zinc/23/79/57/814237957.db2.gz MSXZHDOCBBEEEN-UHFFFAOYSA-N 2 0 293.433 -0.531 20 0 CBADRP C[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)CC[NH+](C)C)C1 ZINC001133294757 814238137 /nfs/dbraw/zinc/23/81/37/814238137.db2.gz SDFNBIYKRMFDFF-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415496 814249381 /nfs/dbraw/zinc/24/93/81/814249381.db2.gz AJKNMNNYQASSSL-LLVKDONJSA-N 2 0 258.366 -0.976 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133834382 814304519 /nfs/dbraw/zinc/30/45/19/814304519.db2.gz VXGPGZOGQDWEOU-LBPRGKRZSA-N 2 0 294.403 -0.012 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)C(=O)NC1CC1 ZINC001133833958 814304627 /nfs/dbraw/zinc/30/46/27/814304627.db2.gz KPEBOFZQZLYEGF-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133834381 814305611 /nfs/dbraw/zinc/30/56/11/814305611.db2.gz VXGPGZOGQDWEOU-GFCCVEGCSA-N 2 0 294.403 -0.012 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001133834464 814305914 /nfs/dbraw/zinc/30/59/14/814305914.db2.gz YJVPXHHJPCABKU-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)CC)[NH+](C)C ZINC001133982946 814333775 /nfs/dbraw/zinc/33/37/75/814333775.db2.gz PRBUWGJCUQKPFS-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP C[NH+](C)CCCCC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001148360426 814939126 /nfs/dbraw/zinc/93/91/26/814939126.db2.gz UNUFOEGCLCOFHB-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP C[NH+](C)CCCCC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001148360428 814940275 /nfs/dbraw/zinc/94/02/75/814940275.db2.gz UNUFOEGCLCOFHB-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001148469091 814945423 /nfs/dbraw/zinc/94/54/23/814945423.db2.gz BOGDYOHBPBFXKE-UHFFFAOYSA-N 2 0 269.389 -0.145 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(N)=O)C2 ZINC001148458701 814946223 /nfs/dbraw/zinc/94/62/23/814946223.db2.gz UGSQCGRJCXZVPN-GFCCVEGCSA-N 2 0 296.415 -0.264 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N(C)C ZINC001148571138 814951457 /nfs/dbraw/zinc/95/14/57/814951457.db2.gz XLOARWNENFXWOD-UHFFFAOYSA-N 2 0 272.393 -0.488 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001148643415 814954499 /nfs/dbraw/zinc/95/44/99/814954499.db2.gz ZISGQUCQHOCYAO-JTQLQIEISA-N 2 0 258.366 -0.832 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001148639068 814954799 /nfs/dbraw/zinc/95/47/99/814954799.db2.gz ZLAPVHRCRIXLLN-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP CCCCNC(=O)C[NH2+]CCNC(=O)C[N@H+](C)CCC ZINC001148638355 814955305 /nfs/dbraw/zinc/95/53/05/814955305.db2.gz FYDPRGAEVMYPQI-UHFFFAOYSA-N 2 0 286.420 -0.050 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001321652966 803796755 /nfs/dbraw/zinc/79/67/55/803796755.db2.gz SKSVYGFALMYFNZ-MXWKQRLJSA-N 2 0 298.387 -0.774 20 0 CBADRP C[C@H](C[NH2+]CCn1cncn1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001321710489 803805367 /nfs/dbraw/zinc/80/53/67/803805367.db2.gz OQVWLTOBMJHBEO-CHWSQXEVSA-N 2 0 294.403 -0.286 20 0 CBADRP C[C@H](C[NH2+]CCn1cncn1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001321710491 803805423 /nfs/dbraw/zinc/80/54/23/803805423.db2.gz OQVWLTOBMJHBEO-OLZOCXBDSA-N 2 0 294.403 -0.286 20 0 CBADRP C[C@@H](C[NH2+]Cc1ccn(C)n1)NC(=O)CC[NH+](C)C ZINC001321967988 803845737 /nfs/dbraw/zinc/84/57/37/803845737.db2.gz DPKNGFYQLVJPKF-NSHDSACASA-N 2 0 267.377 -0.034 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001322684839 803927591 /nfs/dbraw/zinc/92/75/91/803927591.db2.gz CPWHOLGESAYNNF-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[C@@H](C(=O)NCC1([NH2+]CCO)CC1)[NH+](C)C ZINC001323469925 804031616 /nfs/dbraw/zinc/03/16/16/804031616.db2.gz ZGHSFVMNPJFPFP-NSHDSACASA-N 2 0 257.378 -0.197 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)CC1 ZINC001160459981 815624844 /nfs/dbraw/zinc/62/48/44/815624844.db2.gz UUXMORLNFKZBDB-VOJFVSQTSA-N 2 0 275.418 -0.460 20 0 CBADRP CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CCO)C1)[NH+](C)C ZINC001324661400 804184695 /nfs/dbraw/zinc/18/46/95/804184695.db2.gz MSVZRXLPJIVCKW-AAEUAGOBSA-N 2 0 257.378 -0.101 20 0 CBADRP CCOCCCN1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001325189844 804255612 /nfs/dbraw/zinc/25/56/12/804255612.db2.gz MGNZMFYWVTVLEJ-CYBMUJFWSA-N 2 0 299.415 -0.330 20 0 CBADRP CCOCCN1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001325214099 804260875 /nfs/dbraw/zinc/26/08/75/804260875.db2.gz MWZIKHZCQIMXLV-CHWSQXEVSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001325345457 804278723 /nfs/dbraw/zinc/27/87/23/804278723.db2.gz FDIAPIYXEWPEHH-XQQFMLRXSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC001325390043 804282492 /nfs/dbraw/zinc/28/24/92/804282492.db2.gz ARAFZBDXDCUPIJ-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC001325390051 804282525 /nfs/dbraw/zinc/28/25/25/804282525.db2.gz ARAFZBDXDCUPIJ-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001325392432 804283064 /nfs/dbraw/zinc/28/30/64/804283064.db2.gz IDFCFEWYSBRLQG-GRYCIOLGSA-N 2 0 284.404 -0.171 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC001325394370 804284289 /nfs/dbraw/zinc/28/42/89/804284289.db2.gz PQICVQHGYWGOBH-RWMBFGLXSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC001325395113 804284763 /nfs/dbraw/zinc/28/47/63/804284763.db2.gz XKAMKXGODRDDQU-JHJVBQTASA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001325414259 804285421 /nfs/dbraw/zinc/28/54/21/804285421.db2.gz UEYUUMIAMDXOAF-YPMHNXCESA-N 2 0 296.415 -0.441 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC001325696183 804306311 /nfs/dbraw/zinc/30/63/11/804306311.db2.gz QTTAMXWYUJMFQM-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001325705095 804306902 /nfs/dbraw/zinc/30/69/02/804306902.db2.gz RXADNDOYDJGVCN-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001325705345 804307495 /nfs/dbraw/zinc/30/74/95/804307495.db2.gz SKSHQKSEPQCCAD-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001325734593 804310937 /nfs/dbraw/zinc/31/09/37/804310937.db2.gz ORWPHLUSGCLDMC-UPJWGTAASA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC001325855550 804326135 /nfs/dbraw/zinc/32/61/35/804326135.db2.gz REDBTQZRIQWNJU-CHWSQXEVSA-N 2 0 257.378 -0.637 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[NH+](CCO)CCCO2)C1 ZINC001150598345 815037272 /nfs/dbraw/zinc/03/72/72/815037272.db2.gz ZTHDVMBIZMLJOB-KBPBESRZSA-N 2 0 299.415 -0.472 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001150715357 815041584 /nfs/dbraw/zinc/04/15/84/815041584.db2.gz JURVOJTZYRDNRK-CYBMUJFWSA-N 2 0 285.388 -0.718 20 0 CBADRP COCC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150714970 815041749 /nfs/dbraw/zinc/04/17/49/815041749.db2.gz JBOIFYLZHDXFAJ-AWEZNQCLSA-N 2 0 299.415 -0.064 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049379 815051607 /nfs/dbraw/zinc/05/16/07/815051607.db2.gz MTZDZZQZOWTCKT-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCCO[C@@H]2CCOC2)C1 ZINC001151065691 815056759 /nfs/dbraw/zinc/05/67/59/815056759.db2.gz MVAWXHSTFAZTFI-UONOGXRCSA-N 2 0 299.415 -0.161 20 0 CBADRP CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151048442 815052359 /nfs/dbraw/zinc/05/23/59/815052359.db2.gz BBYYASNMYVWEEB-CYBMUJFWSA-N 2 0 296.415 -0.488 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049200 815052846 /nfs/dbraw/zinc/05/28/46/815052846.db2.gz JYMLRKZKTHSJOV-LBPRGKRZSA-N 2 0 284.404 -0.489 20 0 CBADRP CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151064648 815054512 /nfs/dbraw/zinc/05/45/12/815054512.db2.gz CNYZYWSBIWBBSZ-OLZOCXBDSA-N 2 0 298.431 -0.101 20 0 CBADRP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001151049575 815055172 /nfs/dbraw/zinc/05/51/72/815055172.db2.gz SJHSFFRMZDXBKH-LLVKDONJSA-N 2 0 293.371 -0.357 20 0 CBADRP CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049415 815055330 /nfs/dbraw/zinc/05/53/30/815055330.db2.gz NVODKBLVPKJGAL-GFCCVEGCSA-N 2 0 294.403 -0.236 20 0 CBADRP CC(C)N(C)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151064650 815055537 /nfs/dbraw/zinc/05/55/37/815055537.db2.gz CNYZYWSBIWBBSZ-STQMWFEESA-N 2 0 298.431 -0.101 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCN2CCCC2=O)C1 ZINC001151066087 815056335 /nfs/dbraw/zinc/05/63/35/815056335.db2.gz PRTYTVZEMHOAHI-GFCCVEGCSA-N 2 0 282.388 -0.734 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001151066780 815057690 /nfs/dbraw/zinc/05/76/90/815057690.db2.gz YPRWQHWEYMQNCY-WDEREUQCSA-N 2 0 270.377 -0.879 20 0 CBADRP CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151073935 815058421 /nfs/dbraw/zinc/05/84/21/815058421.db2.gz SSPBUMNAFYIFML-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CCC(CC)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151073784 815059044 /nfs/dbraw/zinc/05/90/44/815059044.db2.gz PUXXJWGSUZBNLZ-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151097642 815060722 /nfs/dbraw/zinc/06/07/22/815060722.db2.gz NTHNACQQMBKGSS-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP CC(C)N1CC[C@@H]([NH2+]CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001151101095 815061358 /nfs/dbraw/zinc/06/13/58/815061358.db2.gz LNGYKGQSQDKGFD-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP O=C(C[NH2+]CCNC(=O)C[NH+]1CCCC1)NCC1CCC1 ZINC001151114889 815061770 /nfs/dbraw/zinc/06/17/70/815061770.db2.gz SGAPBVWOSUWCKQ-UHFFFAOYSA-N 2 0 296.415 -0.296 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001151101599 815062537 /nfs/dbraw/zinc/06/25/37/815062537.db2.gz UTBSSOUWNCMDTO-LLVKDONJSA-N 2 0 268.361 -0.981 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151100409 815062641 /nfs/dbraw/zinc/06/26/41/815062641.db2.gz CBAHAJOAROFVRA-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP CC[NH+](CC)C1CCN(C(=O)CNCC[NH3+])CC1 ZINC001160482428 815627551 /nfs/dbraw/zinc/62/75/51/815627551.db2.gz GOTRLUFOFDSVMY-UHFFFAOYSA-N 2 0 256.394 -0.133 20 0 CBADRP COCCC[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151156340 815064903 /nfs/dbraw/zinc/06/49/03/815064903.db2.gz ANJUWTYLRPBJTD-ZDUSSCGKSA-N 2 0 287.404 -0.303 20 0 CBADRP CO[C@@H](C)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151157313 815065819 /nfs/dbraw/zinc/06/58/19/815065819.db2.gz KBRWNNWAZGKVOX-STQMWFEESA-N 2 0 287.404 -0.305 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCCO ZINC001151160764 815066189 /nfs/dbraw/zinc/06/61/89/815066189.db2.gz YQSWQRZRCCGXKX-LBPRGKRZSA-N 2 0 273.377 -0.957 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC3(C2)CC[N@H+](CCO)C3)CCC1 ZINC001072812294 805337830 /nfs/dbraw/zinc/33/78/30/805337830.db2.gz ZXMALKDWOBEYPP-UHFFFAOYSA-N 2 0 281.400 -0.003 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001072981958 805352066 /nfs/dbraw/zinc/35/20/66/805352066.db2.gz WURLXZSZJVERCV-OLZOCXBDSA-N 2 0 281.400 -0.289 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001072979606 805354436 /nfs/dbraw/zinc/35/44/36/805354436.db2.gz FMFIJVACLZBZAG-CYBMUJFWSA-N 2 0 281.400 -0.003 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CC3(C2)CC[NH+](CCO)C3)C1 ZINC001072983337 805354540 /nfs/dbraw/zinc/35/45/40/805354540.db2.gz SCVCBVKIFXVLCR-ZDUSSCGKSA-N 2 0 281.400 -0.145 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001073431063 805370077 /nfs/dbraw/zinc/37/00/77/805370077.db2.gz QIIKHGFZVYUCCE-LBPRGKRZSA-N 2 0 294.399 -0.510 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+](CCCO)CCCO2)C1 ZINC001073891324 805421695 /nfs/dbraw/zinc/42/16/95/805421695.db2.gz OJUIZOYRTAVJQT-KBPBESRZSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001075042322 805481648 /nfs/dbraw/zinc/48/16/48/805481648.db2.gz KKOCVXHEIAEECE-SRVKXCTJSA-N 2 0 282.388 -0.608 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCO)C[C@H]21 ZINC001076146486 805555762 /nfs/dbraw/zinc/55/57/62/805555762.db2.gz UZINKSWJAKNBKA-MELADBBJSA-N 2 0 281.400 -0.004 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cc2n(n1)CCC2 ZINC001151942246 815098535 /nfs/dbraw/zinc/09/85/35/815098535.db2.gz XAPWZWGYUSWPHI-UHFFFAOYSA-N 2 0 264.333 -0.096 20 0 CBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]CCn1cncn1 ZINC001152148064 815108229 /nfs/dbraw/zinc/10/82/29/815108229.db2.gz OHSKMNHBVPRVFD-STQMWFEESA-N 2 0 294.403 -0.143 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152223303 815110667 /nfs/dbraw/zinc/11/06/67/815110667.db2.gz LNBFIUBFRWZLQI-UHFFFAOYSA-N 2 0 294.403 -0.103 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)CCC[NH+]2CCCC2)C1=O ZINC001152236910 815112161 /nfs/dbraw/zinc/11/21/61/815112161.db2.gz IFDVLSAIHAGWIX-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340175 815116246 /nfs/dbraw/zinc/11/62/46/815116246.db2.gz IABMYCLWDKKOCG-UHFFFAOYSA-N 2 0 284.404 -0.296 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001152340087 815116337 /nfs/dbraw/zinc/11/63/37/815116337.db2.gz GANCQLVPASKXBK-LLVKDONJSA-N 2 0 270.377 -0.558 20 0 CBADRP O=C(CC[NH+]1CCCCC1)NCC[NH2+]CCOCCO ZINC001152340727 815117046 /nfs/dbraw/zinc/11/70/46/815117046.db2.gz WGWBEXLIVUNKMJ-UHFFFAOYSA-N 2 0 287.404 -0.423 20 0 CBADRP O=C(CC[NH+]1CCCCC1)NCC[NH2+]CCn1cncn1 ZINC001152348443 815117143 /nfs/dbraw/zinc/11/71/43/815117143.db2.gz OHPVISIHRZBDDR-UHFFFAOYSA-N 2 0 294.403 -0.140 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)C[N@H+](C)C(C)C)C(N)=O ZINC001152431753 815120791 /nfs/dbraw/zinc/12/07/91/815120791.db2.gz DDXHYNNFOMQWMC-JTQLQIEISA-N 2 0 258.366 -0.704 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001152433263 815121098 /nfs/dbraw/zinc/12/10/98/815121098.db2.gz ZYUGQSYHYIOSGY-LLVKDONJSA-N 2 0 272.393 -0.491 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1cnnn1C ZINC001152439142 815121110 /nfs/dbraw/zinc/12/11/10/815121110.db2.gz AIKQSBOGYCQUJH-UHFFFAOYSA-N 2 0 268.365 -0.639 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001152432535 815121141 /nfs/dbraw/zinc/12/11/41/815121141.db2.gz JWLSTCBVNHPPLB-UHFFFAOYSA-N 2 0 293.433 -0.533 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001152439279 815121221 /nfs/dbraw/zinc/12/12/21/815121221.db2.gz HFYGQFACVWYGFO-UHFFFAOYSA-N 2 0 270.377 -0.689 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001152426881 815121902 /nfs/dbraw/zinc/12/19/02/815121902.db2.gz PHBYYBPESGYECI-UHFFFAOYSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001152452096 815122692 /nfs/dbraw/zinc/12/26/92/815122692.db2.gz SDTIMZWZVIUPSP-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001152452097 815123091 /nfs/dbraw/zinc/12/30/91/815123091.db2.gz SDTIMZWZVIUPSP-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001152451990 815123160 /nfs/dbraw/zinc/12/31/60/815123160.db2.gz PCTVVAVTSYAHQN-CYBMUJFWSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001152451915 815123287 /nfs/dbraw/zinc/12/32/87/815123287.db2.gz MACPZQNZRGHKPJ-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001152459120 815124092 /nfs/dbraw/zinc/12/40/92/815124092.db2.gz ZDADISFPNKRLRH-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)[NH+]1CCCC1 ZINC001152470706 815124175 /nfs/dbraw/zinc/12/41/75/815124175.db2.gz FOOCPSNRPPSBDD-VXGBXAGGSA-N 2 0 284.404 -0.314 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153314912 815156790 /nfs/dbraw/zinc/15/67/90/815156790.db2.gz SGERSPCBGSRQGO-UHFFFAOYSA-N 2 0 270.377 -0.556 20 0 CBADRP CC[N@H+](CCOCCO)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005397 815256154 /nfs/dbraw/zinc/25/61/54/815256154.db2.gz LTPFTJIUAKAPLX-CYBMUJFWSA-N 2 0 289.420 -0.226 20 0 CBADRP COC(=O)[C@H]([NH3+])C1CCN(c2cc(C[NH3+])ncn2)CC1 ZINC001155153824 815266802 /nfs/dbraw/zinc/26/68/02/815266802.db2.gz SBEIQXSWDJPLJG-GFCCVEGCSA-N 2 0 279.344 -0.348 20 0 CBADRP [NH3+]Cc1cc(NCc2nnc3n2CCC[NH2+]C3)ncn1 ZINC001155424974 815282927 /nfs/dbraw/zinc/28/29/27/815282927.db2.gz NIFHTJYFVMMMLH-UHFFFAOYSA-N 2 0 274.332 -0.368 20 0 CBADRP Cc1cnc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)c(C[NH3+])c1 ZINC001155573779 815296937 /nfs/dbraw/zinc/29/69/37/815296937.db2.gz COJCNCYIGYOYDF-GXFFZTMASA-N 2 0 261.329 -0.161 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cc3c(nn2)CC[NH2+]C3)N1 ZINC001155574246 815297018 /nfs/dbraw/zinc/29/70/18/815297018.db2.gz FVTYRWHIKSKYEQ-GXFFZTMASA-N 2 0 274.328 -0.888 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cc(C3C[NH2+]C3)ncn2)N1 ZINC001155578770 815298130 /nfs/dbraw/zinc/29/81/30/815298130.db2.gz BDDWZMOZDPARPZ-MFKMUULPSA-N 2 0 274.328 -0.847 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cc(C3C[NH2+]C3)ncn2)N1 ZINC001155578771 815298209 /nfs/dbraw/zinc/29/82/09/815298209.db2.gz BDDWZMOZDPARPZ-ZWNOBZJWSA-N 2 0 274.328 -0.847 20 0 CBADRP CCn1ncc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001155790714 815311441 /nfs/dbraw/zinc/31/14/41/815311441.db2.gz MUKFWGQXQXFMHK-CYBMUJFWSA-N 2 0 294.403 -0.012 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCOCCO ZINC001155795581 815312419 /nfs/dbraw/zinc/31/24/19/815312419.db2.gz JADRKGRZPWXMPU-GFCCVEGCSA-N 2 0 273.377 -0.815 20 0 CBADRP C[NH+]1CCN(c2ccc(N3CC[C@H]([NH3+])C3)nn2)CC1 ZINC001156228620 815346379 /nfs/dbraw/zinc/34/63/79/815346379.db2.gz IJIQNNQOCGHLCV-NSHDSACASA-N 2 0 262.361 -0.234 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC[C@H](n2cncn2)C1 ZINC001160636573 815647240 /nfs/dbraw/zinc/64/72/40/815647240.db2.gz INCBBXLCKGZITH-WDEREUQCSA-N 2 0 266.349 -0.492 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001086122482 810243336 /nfs/dbraw/zinc/24/33/36/810243336.db2.gz MUIDTEIIVKIPCB-WUHRBBMRSA-N 2 0 296.415 -0.171 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001086270787 810253389 /nfs/dbraw/zinc/25/33/89/810253389.db2.gz UDKAAJGLMQKUMG-SDDRHHMPSA-N 2 0 255.362 -0.585 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001086327434 810260983 /nfs/dbraw/zinc/26/09/83/810260983.db2.gz DUZZJJKOQIZKMI-LPWJVIDDSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001086324554 810261079 /nfs/dbraw/zinc/26/10/79/810261079.db2.gz CSFVMNXUUGOETQ-FIQHERPVSA-N 2 0 282.388 -0.561 20 0 CBADRP O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001086367761 810265260 /nfs/dbraw/zinc/26/52/60/810265260.db2.gz CZLNCSPBDKAOHE-MRVWCRGKSA-N 2 0 281.400 -0.195 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001086476798 810273641 /nfs/dbraw/zinc/27/36/41/810273641.db2.gz DUZDDLLIMKLGNY-CYDGBPFRSA-N 2 0 269.389 -0.339 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001086534385 810277916 /nfs/dbraw/zinc/27/79/16/810277916.db2.gz DTJIGWXTEKIVHE-IJLUTSLNSA-N 2 0 294.399 -0.560 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086551867 810278914 /nfs/dbraw/zinc/27/89/14/810278914.db2.gz OCUYRVLWDUCHTA-FVCCEPFGSA-N 2 0 269.389 -0.197 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001086552041 810279035 /nfs/dbraw/zinc/27/90/35/810279035.db2.gz UDKAAJGLMQKUMG-SRVKXCTJSA-N 2 0 255.362 -0.585 20 0 CBADRP CCN(CC(=O)NC)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156403918 815357485 /nfs/dbraw/zinc/35/74/85/815357485.db2.gz SWNXUSQKGWICDJ-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001088200991 810322225 /nfs/dbraw/zinc/32/22/25/810322225.db2.gz FMKTUHSYWGRLAA-OLZOCXBDSA-N 2 0 294.399 -0.652 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCO ZINC001089039144 810373990 /nfs/dbraw/zinc/37/39/90/810373990.db2.gz XYZFLSBHVPWJAN-UTUOFQBUSA-N 2 0 255.362 -0.491 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCO)C1 ZINC001090956900 810582360 /nfs/dbraw/zinc/58/23/60/810582360.db2.gz NLDVMKVOWUBUIO-HTAVTVPLSA-N 2 0 255.362 -0.443 20 0 CBADRP NC(=O)C[NH2+]C1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001091118942 810594067 /nfs/dbraw/zinc/59/40/67/810594067.db2.gz DLNJLHHXWDDTJK-UHFFFAOYSA-N 2 0 294.399 -0.416 20 0 CBADRP C[C@@H]([NH2+]C1CC(CNC(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001091212842 810597888 /nfs/dbraw/zinc/59/78/88/810597888.db2.gz CBUFFAAGCBNWKU-XSRFYTQQSA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@@H](O)C[NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001091327137 810602519 /nfs/dbraw/zinc/60/25/19/810602519.db2.gz AFNVMSDSWYEFHH-PNESKVBLSA-N 2 0 281.400 -0.053 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001091378917 810605263 /nfs/dbraw/zinc/60/52/63/810605263.db2.gz ZDHLEDKXORRMJG-BPCQOVAHSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1)[NH+](C)C ZINC001092022111 810618979 /nfs/dbraw/zinc/61/89/79/810618979.db2.gz NTFFTOYXJDJKQK-XUJVJEKNSA-N 2 0 296.415 -0.408 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1-c1cc(C2C[NH2+]C2)ncn1 ZINC001156831005 815384120 /nfs/dbraw/zinc/38/41/20/815384120.db2.gz KFPBXJFNYQMLCP-UHFFFAOYSA-N 2 0 271.328 -0.404 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092273652 810627383 /nfs/dbraw/zinc/62/73/83/810627383.db2.gz PAAWOAIZAIWNPI-JMSVASOKSA-N 2 0 294.399 -0.796 20 0 CBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093195354 810647742 /nfs/dbraw/zinc/64/77/42/810647742.db2.gz OBVILVZGUUCWKN-GRYCIOLGSA-N 2 0 282.388 -0.893 20 0 CBADRP CC[N@H+](CCO)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156890592 815388946 /nfs/dbraw/zinc/38/89/46/815388946.db2.gz PSLMMPOBNCTXPC-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP COC(=O)[C@@H](CCC[NH3+])Nc1cc(C2C[NH2+]C2)ncn1 ZINC001157119839 815406527 /nfs/dbraw/zinc/40/65/27/815406527.db2.gz KRXUTWAQXQCBGT-SNVBAGLBSA-N 2 0 279.344 -0.144 20 0 CBADRP NC(=O)c1ncc(Cl)nc1NC(=[NH2+])NCCCC[NH3+] ZINC001157094827 815403845 /nfs/dbraw/zinc/40/38/45/815403845.db2.gz WWUIPBHOAVFLSL-UHFFFAOYSA-N 2 0 285.739 -0.096 20 0 CBADRP NC(=O)c1ccnc(NC(=[NH2+])NCCCC[NH3+])c1 ZINC001157094796 815403880 /nfs/dbraw/zinc/40/38/80/815403880.db2.gz WDELQLPAJFGREK-UHFFFAOYSA-N 2 0 250.306 -0.144 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])Nc1ccnc(N2CCOCC2)n1 ZINC001157095926 815403894 /nfs/dbraw/zinc/40/38/94/815403894.db2.gz AHKNXGRRKJFQPG-UHFFFAOYSA-N 2 0 293.375 -0.012 20 0 CBADRP CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001157083982 815404000 /nfs/dbraw/zinc/40/40/00/815404000.db2.gz XPHXETTUAAWHMD-WHOHXGKFSA-N 2 0 292.339 -0.535 20 0 CBADRP COC(=O)[C@@H](CCC[NH3+])Nc1ncc2c(n1)CC[NH2+]C2 ZINC001157114106 815406494 /nfs/dbraw/zinc/40/64/94/815406494.db2.gz APHIYNUODDOTDD-LLVKDONJSA-N 2 0 279.344 -0.185 20 0 CBADRP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CCCO)C[C@H]1O)C1CCC1 ZINC001099879963 810958618 /nfs/dbraw/zinc/95/86/18/810958618.db2.gz SLVWHZKEBZJZQW-ZIAGYGMSSA-N 2 0 299.415 -0.596 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099872803 810959448 /nfs/dbraw/zinc/95/94/48/810959448.db2.gz ZPLOPKWIZFCGQV-STQMWFEESA-N 2 0 299.415 -0.332 20 0 CBADRP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CCCO)C[C@@H]1O)C1CCC1 ZINC001099879961 810960171 /nfs/dbraw/zinc/96/01/71/810960171.db2.gz SLVWHZKEBZJZQW-KGLIPLIRSA-N 2 0 299.415 -0.596 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@H]2O)CC1 ZINC001099971411 810980225 /nfs/dbraw/zinc/98/02/25/810980225.db2.gz HJXKKYGRLFSAHD-CHWSQXEVSA-N 2 0 299.415 -0.738 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099974668 810981181 /nfs/dbraw/zinc/98/11/81/810981181.db2.gz SWPZEHSYOKTJCH-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099973343 810982191 /nfs/dbraw/zinc/98/21/91/810982191.db2.gz BIYJNKXTLONVPX-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986396 810984088 /nfs/dbraw/zinc/98/40/88/810984088.db2.gz KFSMIAXDZWUFQU-NEPJUHHUSA-N 2 0 273.377 -0.864 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CCOC)C[C@@H]1O ZINC001100041900 811005086 /nfs/dbraw/zinc/00/50/86/811005086.db2.gz PTJJYXPVOFFIGW-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100073474 811014222 /nfs/dbraw/zinc/01/42/22/811014222.db2.gz CQQBGEBYOCXBOG-OLZOCXBDSA-N 2 0 287.404 -0.476 20 0 CBADRP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100077242 811015820 /nfs/dbraw/zinc/01/58/20/811015820.db2.gz ZIRWYRLZZKQGAO-OLZOCXBDSA-N 2 0 287.404 -0.738 20 0 CBADRP COCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100109921 811022197 /nfs/dbraw/zinc/02/21/97/811022197.db2.gz MSEGGPRHCKCMJK-KGLIPLIRSA-N 2 0 299.415 -0.330 20 0 CBADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100127783 811026097 /nfs/dbraw/zinc/02/60/97/811026097.db2.gz YUOWAWGBWGEECZ-KGLIPLIRSA-N 2 0 299.415 -0.594 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100419513 811056152 /nfs/dbraw/zinc/05/61/52/811056152.db2.gz VOBOYPBIHBOMEZ-WXRRBKDZSA-N 2 0 296.415 -0.170 20 0 CBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001100446850 811057450 /nfs/dbraw/zinc/05/74/50/811057450.db2.gz DDMHHFVFDXVOOG-BPCQOVAHSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@H](C(=O)NCC1CC([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001100443520 811058468 /nfs/dbraw/zinc/05/84/68/811058468.db2.gz KTVQUFVPKNRBDV-HTAVTVPLSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@H]([NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001100619930 811065700 /nfs/dbraw/zinc/06/57/00/811065700.db2.gz OWCOQKXBGSGRBM-UNXYVOJBSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H]([NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001100614398 811066211 /nfs/dbraw/zinc/06/62/11/811066211.db2.gz QPHUAXMARDZPIE-VOMCLLRMSA-N 2 0 296.415 -0.314 20 0 CBADRP CC(C)[C@H](C(=O)NCC1CC([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001100647159 811070964 /nfs/dbraw/zinc/07/09/64/811070964.db2.gz GUDVRXXSSAXYPF-GCZXYKMCSA-N 2 0 284.404 -0.458 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC2CC([NH2+]CC(N)=O)C2)C1 ZINC001100873121 811082586 /nfs/dbraw/zinc/08/25/86/811082586.db2.gz VFHIBFRSNJFGHL-VOMCLLRMSA-N 2 0 282.388 -0.702 20 0 CBADRP CN(C)C(=O)C[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100986390 811089158 /nfs/dbraw/zinc/08/91/58/811089158.db2.gz STXZMHPYXRRBFV-UHFFFAOYSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@@H]([NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001100984577 811090179 /nfs/dbraw/zinc/09/01/79/811090179.db2.gz NCGKIVXVQRXLJK-WXRRBKDZSA-N 2 0 296.415 -0.170 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC001157323236 815423034 /nfs/dbraw/zinc/42/30/34/815423034.db2.gz NLUMBPBMCYYNQP-WOPDTQHZSA-N 2 0 284.404 -0.266 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C1CC[NH2+]CC1 ZINC001157323796 815423068 /nfs/dbraw/zinc/42/30/68/815423068.db2.gz OGLYUUPRTODYLC-NSHDSACASA-N 2 0 270.377 -0.654 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])C(C)C ZINC001157323515 815423566 /nfs/dbraw/zinc/42/35/66/815423566.db2.gz SUKPBDIOABNMAV-VHSXEESVSA-N 2 0 258.366 -0.671 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@@H](C[NH3+])C1(C)C ZINC001157335362 815424171 /nfs/dbraw/zinc/42/41/71/815424171.db2.gz GVMJNBYGURBWFJ-TUAOUCFPSA-N 2 0 298.431 -0.033 20 0 CBADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102290658 811147780 /nfs/dbraw/zinc/14/77/80/811147780.db2.gz OVOZFIRGCNHLIW-CHWSQXEVSA-N 2 0 298.431 -0.242 20 0 CBADRP C[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102319076 811152136 /nfs/dbraw/zinc/15/21/36/811152136.db2.gz XSYBLMSHTKKMNL-IJLUTSLNSA-N 2 0 284.404 -0.504 20 0 CBADRP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001102366947 811152379 /nfs/dbraw/zinc/15/23/79/811152379.db2.gz VWTFIDLJRLJCTA-JHJVBQTASA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320796 811152877 /nfs/dbraw/zinc/15/28/77/811152877.db2.gz SYWKBTVZQUZVNP-VXGBXAGGSA-N 2 0 257.378 -0.386 20 0 CBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102782976 811168135 /nfs/dbraw/zinc/16/81/35/811168135.db2.gz SDWZMFFIGVYZKI-JHJVBQTASA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103719033 811185209 /nfs/dbraw/zinc/18/52/09/811185209.db2.gz ODZHCPABTTVROU-JHJVBQTASA-N 2 0 296.415 -0.502 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001103663743 811185944 /nfs/dbraw/zinc/18/59/44/811185944.db2.gz RKQYLCAKVHFXFE-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CC[NH2+]CC(N)=O ZINC001104599352 811206815 /nfs/dbraw/zinc/20/68/15/811206815.db2.gz AFZLTMXQZCVLAC-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP C[C@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)[C@@H]1CCCO1 ZINC001157435654 815432567 /nfs/dbraw/zinc/43/25/67/815432567.db2.gz UNUPGLVSQQIUPY-DRZSPHRISA-N 2 0 284.404 -0.580 20 0 CBADRP Cc1cc(N(C(=N)N)C(=O)[C@H]([NH3+])CCC[NH3+])n[nH]1 ZINC001157440369 815433868 /nfs/dbraw/zinc/43/38/68/815433868.db2.gz UHRXKJXQOGNVMG-SSDOTTSWSA-N 2 0 253.310 -0.989 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(N)=O ZINC001105946026 811282375 /nfs/dbraw/zinc/28/23/75/811282375.db2.gz JGDDYSSZZYREJW-UTUOFQBUSA-N 2 0 282.388 -0.750 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001106250232 811303357 /nfs/dbraw/zinc/30/33/57/811303357.db2.gz YXOYHZWKCDXMFE-MPKXVKKWSA-N 2 0 296.415 -0.504 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001106599229 811311649 /nfs/dbraw/zinc/31/16/49/811311649.db2.gz DYQGWNIUMGHONJ-JHJVBQTASA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CCO ZINC001106628786 811312678 /nfs/dbraw/zinc/31/26/78/811312678.db2.gz VNJKEAWSCMROCT-VXGBXAGGSA-N 2 0 257.378 -0.386 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106840331 811318182 /nfs/dbraw/zinc/31/81/82/811318182.db2.gz IMQMZHWPLPELDX-VXGBXAGGSA-N 2 0 284.404 -0.502 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001107040842 811322930 /nfs/dbraw/zinc/32/29/30/811322930.db2.gz PSYWWPWNBJWWBQ-VXGBXAGGSA-N 2 0 284.404 -0.504 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC(N2CC(F)C2)C1 ZINC001157525818 815441044 /nfs/dbraw/zinc/44/10/44/815441044.db2.gz DQDDAWSFMZKUSO-NSHDSACASA-N 2 0 258.341 -0.693 20 0 CBADRP CN(CC(F)(F)F)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157519582 815441553 /nfs/dbraw/zinc/44/15/53/815441553.db2.gz ZDENXOVFKSPWDQ-VIFPVBQESA-N 2 0 282.310 -0.243 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@H]2CC[C@H]3[NH2+]CC[C@H]3O2)C[C@H]1F ZINC001157536315 815442088 /nfs/dbraw/zinc/44/20/88/815442088.db2.gz KTFSDLIIZXCVJG-RCZSTQMZSA-N 2 0 257.309 -0.597 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)C[C@H]1F ZINC001157536499 815442726 /nfs/dbraw/zinc/44/27/26/815442726.db2.gz NYXBMFUMDRAGLH-RVMXOQNASA-N 2 0 284.379 -0.432 20 0 CBADRP [NH3+][C@H](C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1)c1ccc(O)cc1 ZINC001157537040 815443688 /nfs/dbraw/zinc/44/36/88/815443688.db2.gz TUVINDZGJHKHHI-VWYCJHECSA-N 2 0 253.277 -0.100 20 0 CBADRP [NH3+][C@H]1CN(C(=O)C2CCN([C@@H]3CC[NH2+]C3)CC2)C[C@H]1F ZINC001157537627 815443704 /nfs/dbraw/zinc/44/37/04/815443704.db2.gz CKSMXVLZJLEWOQ-UPJWGTAASA-N 2 0 284.379 -0.432 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC(C)([NH3+])C1 ZINC001157633193 815449538 /nfs/dbraw/zinc/44/95/38/815449538.db2.gz KSEVXIPYAAKVKI-UWVGGRQHSA-N 2 0 270.377 -0.576 20 0 CBADRP N[C@@H](C[NH3+])C(=O)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001157626206 815448451 /nfs/dbraw/zinc/44/84/51/815448451.db2.gz CXUIKQZXIGHCLZ-AWEZNQCLSA-N 2 0 298.431 -0.377 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001157633935 815449191 /nfs/dbraw/zinc/44/91/91/815449191.db2.gz UDYBKQMYCUCZDH-SNVBAGLBSA-N 2 0 253.346 -0.295 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@@H]2CCCCN2[C@@H]2CC[NH2+]C2)C1 ZINC001157650920 815450662 /nfs/dbraw/zinc/45/06/62/815450662.db2.gz HLTABIRYQNITKR-NEPJUHHUSA-N 2 0 266.389 -0.238 20 0 CBADRP COC1(C)CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001157688214 815452718 /nfs/dbraw/zinc/45/27/18/815452718.db2.gz AADCBNIYDCIZIF-ZDUSSCGKSA-N 2 0 298.431 -0.236 20 0 CBADRP CN(Cc1ncccn1)C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157681447 815453179 /nfs/dbraw/zinc/45/31/79/815453179.db2.gz JAWWLXLHSCYZMO-JTQLQIEISA-N 2 0 251.334 -0.109 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC([NH+](C)C)C1 ZINC001157689306 815454388 /nfs/dbraw/zinc/45/43/88/815454388.db2.gz UOMMPKZHBHLFDQ-JQWIXIFHSA-N 2 0 284.404 -0.363 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CCCO1 ZINC001157704224 815454460 /nfs/dbraw/zinc/45/44/60/815454460.db2.gz VOSDCUQFZNZNMJ-ZJUUUORDSA-N 2 0 261.391 -0.357 20 0 CBADRP COC(=O)[C@]1(F)CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001157715887 815455720 /nfs/dbraw/zinc/45/57/20/815455720.db2.gz KMTKHMKHWDKONF-KWQFWETISA-N 2 0 261.297 -0.834 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1Cc2cncnc2C1 ZINC001157714973 815455807 /nfs/dbraw/zinc/45/58/07/815455807.db2.gz ATUOKWVZGYGSAP-LBPRGKRZSA-N 2 0 290.371 -0.931 20 0 CBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]1C[C@@H](OC(C)(C)C)C[NH2+]1 ZINC001157716739 815456302 /nfs/dbraw/zinc/45/63/02/815456302.db2.gz RJRVBPBAYUFNIM-UPJWGTAASA-N 2 0 299.415 -0.021 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])CC1CCC1 ZINC001157720555 815456386 /nfs/dbraw/zinc/45/63/86/815456386.db2.gz LTPDGVZRPNDOKR-RYUDHWBXSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1Cc2cncnc2C1 ZINC001157716989 815456785 /nfs/dbraw/zinc/45/67/85/815456785.db2.gz VUBWPFQSQZJCKL-VIFPVBQESA-N 2 0 267.358 -0.662 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001157716809 815457074 /nfs/dbraw/zinc/45/70/74/815457074.db2.gz SYGSQHOVPIQVCD-ZDEQEGDKSA-N 2 0 283.372 -0.800 20 0 CBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001157720359 815457186 /nfs/dbraw/zinc/45/71/86/815457186.db2.gz HNJVWEHMLSJSBE-TUUUFIMRSA-N 2 0 285.388 -0.688 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@H](F)C[C@@H](CO)C1 ZINC001157728750 815457207 /nfs/dbraw/zinc/45/72/07/815457207.db2.gz AGZUFNRJLLOAEZ-BBBLOLIVSA-N 2 0 279.381 -0.816 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC(F)(F)CC[C@H]1CO ZINC001157730035 815458076 /nfs/dbraw/zinc/45/80/76/815458076.db2.gz GYWINQOGCYVAML-UWVGGRQHSA-N 2 0 289.326 -0.586 20 0 CBADRP [NH3+][C@H](C(=O)N1C[C@H](F)C[C@H](CO)C1)C1CC[NH2+]CC1 ZINC001157730942 815459037 /nfs/dbraw/zinc/45/90/37/815459037.db2.gz PWEIEUJTLCOBPS-WCQGTBRESA-N 2 0 273.352 -0.508 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@H](F)C[C@@H](CO)C1 ZINC001157731542 815459248 /nfs/dbraw/zinc/45/92/48/815459248.db2.gz VVVXLNCNTXBJIU-UTUOFQBUSA-N 2 0 275.368 -0.118 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]2C[NH2+]CCC2=O)CC1 ZINC001157743957 815461674 /nfs/dbraw/zinc/46/16/74/815461674.db2.gz JFDKNPCAILPLDZ-MFKMUULPSA-N 2 0 271.336 -0.156 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@H](F)C[C@H](CO)C1 ZINC001157731540 815459621 /nfs/dbraw/zinc/45/96/21/815459621.db2.gz VVVXLNCNTXBJIU-TUAOUCFPSA-N 2 0 275.368 -0.118 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H](F)C[C@H](CO)C1 ZINC001157731404 815459797 /nfs/dbraw/zinc/45/97/97/815459797.db2.gz UPJZPZVCGYYVCN-DCAQKATOSA-N 2 0 261.341 -0.378 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157748803 815461734 /nfs/dbraw/zinc/46/17/34/815461734.db2.gz YTYATSXMHPEDPU-MAZUYXTBSA-N 2 0 293.408 -0.238 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@H]2NC(=O)CC23C[NH2+]C3)CC1 ZINC001157738712 815460296 /nfs/dbraw/zinc/46/02/96/815460296.db2.gz CFGRGZPGBHIWSC-BXUZGUMPSA-N 2 0 298.362 -0.856 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157740634 815460335 /nfs/dbraw/zinc/46/03/35/815460335.db2.gz PLHFQBLRDQNFRF-ZWNOBZJWSA-N 2 0 289.351 -0.054 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001157740707 815460337 /nfs/dbraw/zinc/46/03/37/815460337.db2.gz QPFJSCUMGFNKBH-FPMFFAJLSA-N 2 0 284.379 -0.383 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC001157740044 815460504 /nfs/dbraw/zinc/46/05/04/815460504.db2.gz LIETXHFVLOJZPX-ZYHUDNBSSA-N 2 0 259.325 -0.346 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157748094 815461740 /nfs/dbraw/zinc/46/17/40/815461740.db2.gz WBNSVKHVPWTZEM-LBPRGKRZSA-N 3 0 260.357 -0.396 20 0 CBADRP N[C@]1(C(=O)N2CCC[C@](F)(C[NH3+])CC2)CC[NH2+]C1 ZINC001157743970 815461747 /nfs/dbraw/zinc/46/17/47/815461747.db2.gz JJGWFYIDHNUPPS-VXGBXAGGSA-N 2 0 258.341 -0.643 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]2C[NH2+]CCC2=O)CC1 ZINC001157743958 815461754 /nfs/dbraw/zinc/46/17/54/815461754.db2.gz JFDKNPCAILPLDZ-ZWNOBZJWSA-N 2 0 271.336 -0.156 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157748089 815461457 /nfs/dbraw/zinc/46/14/57/815461457.db2.gz WBNSVKHVPWTZEM-GFCCVEGCSA-N 3 0 260.357 -0.396 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC[C@](O)(CF)CC1 ZINC001157780416 815465687 /nfs/dbraw/zinc/46/56/87/815465687.db2.gz FICHUDMXYQLTAV-ZYHUDNBSSA-N 2 0 261.341 -0.234 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@@](O)(CF)CC1 ZINC001157782272 815465757 /nfs/dbraw/zinc/46/57/57/815465757.db2.gz XZYKFPLANCKVED-FZMZJTMJSA-N 2 0 285.363 -0.492 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)C[C@@H]1[NH3+] ZINC001157799850 815468255 /nfs/dbraw/zinc/46/82/55/815468255.db2.gz SVQQOAXMHSQMBB-DCQANWLSSA-N 2 0 252.362 -0.866 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@H]([NH3+])Cc2cnc[nH]2)C[C@@H]1[NH3+] ZINC001157792867 815466947 /nfs/dbraw/zinc/46/69/47/815466947.db2.gz FTNTZEZWFXZOPB-IEBDPFPHSA-N 2 0 251.334 -0.525 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157756174 815462843 /nfs/dbraw/zinc/46/28/43/815462843.db2.gz WGGORYYGPVEDQX-WCQYABFASA-N 2 0 272.368 -0.431 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157756311 815463317 /nfs/dbraw/zinc/46/33/17/815463317.db2.gz WWPRYQBWOJRVQK-JQWIXIFHSA-N 3 0 292.424 -0.315 20 0 CBADRP CCOC(=O)C1(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)C[NH2+]C1 ZINC001157798934 815468643 /nfs/dbraw/zinc/46/86/43/815468643.db2.gz HHVHEQKLUVRLCL-ZJUUUORDSA-N 2 0 269.345 -0.665 20 0 CBADRP CO[C@H]1CC[NH2+][C@H](C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)C1 ZINC001157809995 815468659 /nfs/dbraw/zinc/46/86/59/815468659.db2.gz ILZXGKNJMKQFFL-RHYQMDGZSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C[C@@H]1[NH3+] ZINC001157799854 815468772 /nfs/dbraw/zinc/46/87/72/815468772.db2.gz SVQQOAXMHSQMBB-MPPDQPJWSA-N 2 0 252.362 -0.866 20 0 CBADRP C[C@@H]1CCN(C(=O)c2n[nH]c3c2CC[NH2+]C3)C[C@@H]1[NH3+] ZINC001157828972 815469637 /nfs/dbraw/zinc/46/96/37/815469637.db2.gz LIPZJDLPDRSSTJ-SCZZXKLOSA-N 2 0 263.345 -0.135 20 0 CBADRP C[C@@H]1CCN(C(=O)c2ncn3c2C[NH2+]CC3)C[C@@H]1[NH3+] ZINC001157828629 815469973 /nfs/dbraw/zinc/46/99/73/815469973.db2.gz JMXMWXABMMEPGM-ZJUUUORDSA-N 2 0 263.345 -0.204 20 0 CBADRP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001157841105 815470463 /nfs/dbraw/zinc/47/04/63/815470463.db2.gz DZPSGWFAWCHUMX-LOWVWBTDSA-N 2 0 279.388 -0.124 20 0 CBADRP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001157844305 815470891 /nfs/dbraw/zinc/47/08/91/815470891.db2.gz VWXOMMRBBJAHRM-UMNHJUIQSA-N 2 0 265.361 -0.135 20 0 CBADRP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001157843441 815471162 /nfs/dbraw/zinc/47/11/62/815471162.db2.gz RAGQFCVCIZCDDI-GARJFASQSA-N 2 0 285.392 -0.652 20 0 CBADRP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001157844631 815471176 /nfs/dbraw/zinc/47/11/76/815471176.db2.gz WQGIWQXDKOCOKL-AXFHLTTASA-N 3 0 274.434 -0.409 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)C1CC1 ZINC001114404999 811748031 /nfs/dbraw/zinc/74/80/31/811748031.db2.gz LILBIHKQHAEMCK-ZOBORPQBSA-N 2 0 281.400 -0.245 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@]2(C)CC[NH2+]C[C@@H]2O)C[C@@H]1[NH3+] ZINC001157798569 815468364 /nfs/dbraw/zinc/46/83/64/815468364.db2.gz FFKPEVQPBQTNAC-BLFANLJRSA-N 2 0 255.362 -0.457 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@@H]3CCO[C@@H]32)C[C@@H]1[NH3+] ZINC001157810300 815468491 /nfs/dbraw/zinc/46/84/91/815468491.db2.gz LGXAJGHTLPCQDQ-FHUSYTEZSA-N 2 0 267.373 -0.193 20 0 CBADRP CC(=O)CN(C)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001157863004 815474785 /nfs/dbraw/zinc/47/47/85/815474785.db2.gz OXPSPBOMAQEBOB-NSHDSACASA-N 2 0 253.346 -0.092 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001157886997 815476622 /nfs/dbraw/zinc/47/66/22/815476622.db2.gz OKXNVBQLGVQBBO-STQMWFEESA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+]1CCN(C(=[NH2+])Nc2ncccc2S(N)(=O)=O)CC1 ZINC001157914847 815481177 /nfs/dbraw/zinc/48/11/77/815481177.db2.gz MXEAQRCWXBRKJG-UHFFFAOYSA-N 2 0 298.372 -0.677 20 0 CBADRP CN1CCN(C(=[NH2+])Nc2cc3c(nn2)CC[NH2+]C3)CC1 ZINC001157914923 815482118 /nfs/dbraw/zinc/48/21/18/815482118.db2.gz HOENQNQWEDERDQ-UHFFFAOYSA-N 2 0 275.360 -0.284 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCc2[nH]cnc2C1 ZINC001157922372 815483200 /nfs/dbraw/zinc/48/32/00/815483200.db2.gz MINXUBQTUKHWBB-QMMMGPOBSA-N 2 0 269.374 -0.686 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC[C@](F)(CO)CC1 ZINC001157935284 815488310 /nfs/dbraw/zinc/48/83/10/815488310.db2.gz SXVAHPYJRWEITE-ZYHUDNBSSA-N 2 0 261.341 -0.234 20 0 CBADRP C[C@]1(CO)CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC[C@H]1O ZINC001157944565 815491165 /nfs/dbraw/zinc/49/11/65/815491165.db2.gz JOPAVQFJKDKAAA-OUCADQQQSA-N 2 0 287.404 -0.575 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@](C)(CO)[C@@H](O)C1 ZINC001157947623 815491205 /nfs/dbraw/zinc/49/12/05/815491205.db2.gz VVOIDIFDKFRFEI-SGMGOOAPSA-N 2 0 287.404 -0.705 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@@](F)(CO)CC1 ZINC001157935903 815488716 /nfs/dbraw/zinc/48/87/16/815488716.db2.gz XHOUUVRMKMWRBT-RISCZKNCSA-N 2 0 285.363 -0.492 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@](C)(CO)[C@H](O)C1 ZINC001157947621 815490896 /nfs/dbraw/zinc/49/08/96/815490896.db2.gz VVOIDIFDKFRFEI-OUCADQQQSA-N 2 0 287.404 -0.705 20 0 CBADRP COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158015485 815499215 /nfs/dbraw/zinc/49/92/15/815499215.db2.gz SDCMWIBVOGFJMW-YAMSLAJTSA-N 2 0 299.346 -0.703 20 0 CBADRP [NH3+]Cc1nnnn1-c1nc(Cl)nc2c1C[NH2+]CC2 ZINC001158075200 815501197 /nfs/dbraw/zinc/50/11/97/815501197.db2.gz YLSOOCHPXQKSBA-UHFFFAOYSA-N 2 0 266.696 -0.790 20 0 CBADRP N[C@@]1(C(=O)N2CCC3(CC([NH3+])C3)CC2)CCC[NH2+]C1 ZINC001158083119 815502659 /nfs/dbraw/zinc/50/26/59/815502659.db2.gz UYMGDKNYMGHJIJ-AWEZNQCLSA-N 2 0 266.389 -0.203 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158082380 815502960 /nfs/dbraw/zinc/50/29/60/815502960.db2.gz OWXBLGQOQBNLGB-UHFFFAOYSA-N 3 0 254.378 -0.345 20 0 CBADRP C[N@@H+]1CCc2nc(Cl)nc(-n3nnnc3C[NH3+])c2C1 ZINC001158080286 815502986 /nfs/dbraw/zinc/50/29/86/815502986.db2.gz JXLKTNRAJPSGTF-UHFFFAOYSA-N 2 0 280.723 -0.448 20 0 CBADRP C[NH+]1CCC(Oc2ccnc(-n3nnnc3C[NH3+])c2)CC1 ZINC001158080691 815503444 /nfs/dbraw/zinc/50/34/44/815503444.db2.gz UPXFDEWUCADPAZ-UHFFFAOYSA-N 2 0 289.343 -0.011 20 0 CBADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158169365 815508101 /nfs/dbraw/zinc/50/81/01/815508101.db2.gz PPYFVBVZUCKIJM-QWRGUYRKSA-N 2 0 253.346 -0.546 20 0 CBADRP CC[C@H](C)[C@@H]([NH3+])CC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158092745 815503837 /nfs/dbraw/zinc/50/38/37/815503837.db2.gz QKYLYTUYUMCAQX-MJVIPROJSA-N 2 0 282.388 -0.560 20 0 CBADRP CC(C)C[C@@](C)([NH3+])C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101278 815503895 /nfs/dbraw/zinc/50/38/95/815503895.db2.gz JENLZDLSBSYFIN-KGLIPLIRSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158100747 815503947 /nfs/dbraw/zinc/50/39/47/815503947.db2.gz BKZKNJWKPONUKT-SMDDNHRTSA-N 2 0 282.388 -0.689 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120736 815504951 /nfs/dbraw/zinc/50/49/51/815504951.db2.gz PPZHITVMRDSUIC-HFAKWTLXSA-N 2 0 292.383 -0.948 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(C[C@H]2CCO)CC1 ZINC001158111665 815504956 /nfs/dbraw/zinc/50/49/56/815504956.db2.gz PZGXYXQOGGUODK-CHWSQXEVSA-N 2 0 293.411 -0.194 20 0 CBADRP O=C([C@@H]1CCCC[NH2+]1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158109829 815505292 /nfs/dbraw/zinc/50/52/92/815505292.db2.gz DRXHXJJUARINDZ-XHDPSFHLSA-N 2 0 292.383 -0.933 20 0 CBADRP C[C@]1(C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CCC[NH2+]1 ZINC001158122172 815505426 /nfs/dbraw/zinc/50/54/26/815505426.db2.gz ZRWLQCWOPNSDES-HIFRSBDPSA-N 2 0 292.383 -0.933 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750199 812157096 /nfs/dbraw/zinc/15/70/96/812157096.db2.gz CPNWYOSVIJMIQJ-NMKXLXIOSA-N 2 0 269.389 -0.245 20 0 CBADRP N[C@]1(C(=O)N2CCC[C@@]23CCC[NH2+]C3)CC[NH2+]C1 ZINC001158159542 815506787 /nfs/dbraw/zinc/50/67/87/815506787.db2.gz DHEWGFMPHMIHDM-CHWSQXEVSA-N 2 0 252.362 -0.578 20 0 CBADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778429 812160186 /nfs/dbraw/zinc/16/01/86/812160186.db2.gz KUOTVCNWEMSDGJ-DCQANWLSSA-N 2 0 282.388 -0.881 20 0 CBADRP O=C(N1CCC[C@]12CCC[NH2+]C2)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001158159486 815506839 /nfs/dbraw/zinc/50/68/39/815506839.db2.gz CJQCAPRFLVGQAG-AEGPPILISA-N 2 0 278.400 -0.318 20 0 CBADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158160943 815506889 /nfs/dbraw/zinc/50/68/89/815506889.db2.gz MHQHSQRIPNXJAX-GVXVVHGQSA-N 2 0 253.346 -0.546 20 0 CBADRP O=C(N1CCC[C@@]12CCC[NH2+]C2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158162293 815507168 /nfs/dbraw/zinc/50/71/68/815507168.db2.gz WYWMNIJTAODJKL-FVQBIDKESA-N 3 0 292.427 -0.070 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161844 815507357 /nfs/dbraw/zinc/50/73/57/815507357.db2.gz RGMWIUVSOMKIQT-WCQYABFASA-N 3 0 286.445 -0.250 20 0 CBADRP O=C([C@@H]1C[NH2+]CCN1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158162436 815507480 /nfs/dbraw/zinc/50/74/80/815507480.db2.gz XLIVVSMPKDRIQJ-WCQYABFASA-N 2 0 252.362 -0.708 20 0 CBADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158160942 815507596 /nfs/dbraw/zinc/50/75/96/815507596.db2.gz MHQHSQRIPNXJAX-GMXVVIOVSA-N 2 0 253.346 -0.546 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001114991630 812171889 /nfs/dbraw/zinc/17/18/89/812171889.db2.gz GNVPIXUNDCCSDP-JYAVWHMHSA-N 2 0 296.415 -0.537 20 0 CBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)CC1 ZINC001115038269 812174066 /nfs/dbraw/zinc/17/40/66/812174066.db2.gz KXXQTHCWXOKCPE-NHAGDIPZSA-N 2 0 297.399 -0.864 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115080573 812178259 /nfs/dbraw/zinc/17/82/59/812178259.db2.gz AESVYUWYNBZFTG-KZVDOYCCSA-N 2 0 296.415 -0.362 20 0 CBADRP COCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125697 812179807 /nfs/dbraw/zinc/17/98/07/812179807.db2.gz AUSWWPHZCSXLOA-NHAGDIPZSA-N 2 0 299.415 -0.353 20 0 CBADRP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC001115126099 812180731 /nfs/dbraw/zinc/18/07/31/812180731.db2.gz IGDYXSDVXOQVHD-IMRBUKKESA-N 2 0 287.379 -0.029 20 0 CBADRP O=C(NCCC[NH2+]CCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001158202365 815512544 /nfs/dbraw/zinc/51/25/44/815512544.db2.gz RRPQHJOEQOIFSU-GFCCVEGCSA-N 2 0 255.362 -0.584 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001115241074 812185552 /nfs/dbraw/zinc/18/55/52/812185552.db2.gz BHWKSNISUFDJPU-NHAGDIPZSA-N 2 0 297.399 -0.863 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199317 815512648 /nfs/dbraw/zinc/51/26/48/815512648.db2.gz TYFGBYQBESGNJX-KXUCPTDWSA-N 2 0 255.318 -0.770 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)CC[NH2+]C[C@@H]1O ZINC001158198807 815512847 /nfs/dbraw/zinc/51/28/47/815512847.db2.gz JIJIUVXZEOKSSZ-SRRSOLGSSA-N 2 0 253.346 -0.690 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001158202412 815512929 /nfs/dbraw/zinc/51/29/29/815512929.db2.gz SWNVCFFKFOFMKQ-STQMWFEESA-N 2 0 296.415 -0.312 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])CC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167060 815508465 /nfs/dbraw/zinc/50/84/65/815508465.db2.gz IBTFUOVVYULZJC-JHJVBQTASA-N 2 0 299.415 -0.034 20 0 CBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168583 815508528 /nfs/dbraw/zinc/50/85/28/815508528.db2.gz INGVGKLGYRGWBF-GHMZBOCLSA-N 2 0 253.346 -0.546 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158187214 815510360 /nfs/dbraw/zinc/51/03/60/815510360.db2.gz ONMIMDZFBOPSMQ-LXVYMNJGSA-N 2 0 268.405 -0.005 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158198209 815511264 /nfs/dbraw/zinc/51/12/64/815511264.db2.gz BMUICSGYZIWAFQ-NWDGAFQWSA-N 2 0 252.362 -0.709 20 0 CBADRP O=C(NCCC[NH2+][C@@H]1CCNC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158197358 815511574 /nfs/dbraw/zinc/51/15/74/815511574.db2.gz XIWCKDWTQOYBTJ-CHWSQXEVSA-N 2 0 294.399 -0.687 20 0 CBADRP O=C(c1ncn2c1C[NH2+]CC2)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158231923 815514830 /nfs/dbraw/zinc/51/48/30/815514830.db2.gz SQLTWLDPCFNUTE-VHSXEESVSA-N 2 0 261.329 -0.437 20 0 CBADRP O=C(c1cnc2n1CC[NH2+]CC2)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158231894 815514913 /nfs/dbraw/zinc/51/49/13/815514913.db2.gz SIGCCZMSUWSAQC-WDEREUQCSA-N 2 0 275.356 -0.395 20 0 CBADRP O=C([C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158215424 815515115 /nfs/dbraw/zinc/51/51/15/815515115.db2.gz MUELONQAPQBYOE-OBPIAQAESA-N 2 0 265.357 -0.426 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158215169 815515388 /nfs/dbraw/zinc/51/53/88/815515388.db2.gz KKFIGMUVFNSUSB-VHSXEESVSA-N 2 0 253.350 -0.397 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](Nc2ncnc3c2CC[NH2+]C3)CN1 ZINC001158253929 815516072 /nfs/dbraw/zinc/51/60/72/815516072.db2.gz JNAHKRABWJBHQA-SCZZXKLOSA-N 2 0 277.328 -0.562 20 0 CBADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cn(C)nn1 ZINC001116655256 812289548 /nfs/dbraw/zinc/28/95/48/812289548.db2.gz NSWGQGKJTHJEIP-LBPRGKRZSA-N 2 0 266.393 -0.069 20 0 CBADRP C[C@H]1C[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001117084377 812363921 /nfs/dbraw/zinc/36/39/21/812363921.db2.gz MMLBUXACTKYUJU-STQMWFEESA-N 2 0 298.431 -0.290 20 0 CBADRP N[C@]1(C(=O)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)CC[NH2+]C1 ZINC001158337095 815520864 /nfs/dbraw/zinc/52/08/64/815520864.db2.gz QRZUZQGGGNXPGC-SQWLQELKSA-N 2 0 286.379 -0.225 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001158337244 815521323 /nfs/dbraw/zinc/52/13/23/815521323.db2.gz RHFBTWBTRIFQQB-UQOMUDLDSA-N 2 0 286.379 -0.227 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCS(=O)(=O)CC1 ZINC001158369289 815522993 /nfs/dbraw/zinc/52/29/93/815522993.db2.gz KJHMRTOPJCLWLL-NSHDSACASA-N 2 0 291.417 -0.697 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CCO)CC[N@@H+]1C ZINC001158412062 815527353 /nfs/dbraw/zinc/52/73/53/815527353.db2.gz KSUNCOIVRNBJTB-NWDGAFQWSA-N 2 0 257.378 -0.195 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC001118037191 812463768 /nfs/dbraw/zinc/46/37/68/812463768.db2.gz ATLIBSSKVNOIJR-NQBHXWOUSA-N 2 0 296.415 -0.301 20 0 CBADRP [NH3+]Cc1cnnn1-c1nc(Cl)nc2c1C[NH2+]CC2 ZINC001158420709 815527836 /nfs/dbraw/zinc/52/78/36/815527836.db2.gz XCTJGHOJFHTRNN-UHFFFAOYSA-N 2 0 265.708 -0.185 20 0 CBADRP C[NH2+]CC1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC001118141339 812477555 /nfs/dbraw/zinc/47/75/55/812477555.db2.gz YNDITTSKZHHKJZ-LBPRGKRZSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC001118140655 812478199 /nfs/dbraw/zinc/47/81/99/812478199.db2.gz GZGPUZCMCPHUFC-DTWKUNHWSA-N 2 0 251.334 -0.094 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158422097 815528582 /nfs/dbraw/zinc/52/85/82/815528582.db2.gz HUVMLLOZXYGBIF-QTIJHVDKSA-N 2 0 259.375 -0.955 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158424281 815528589 /nfs/dbraw/zinc/52/85/89/815528589.db2.gz RIQKCOSXWREEBK-AGIUHOORSA-N 2 0 282.388 -0.417 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158426424 815528740 /nfs/dbraw/zinc/52/87/40/815528740.db2.gz ZVVMVCAOEVKSHQ-KKOKHZNYSA-N 2 0 281.356 -0.652 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1CC1CC[NH2+]CC1 ZINC001118179189 812486355 /nfs/dbraw/zinc/48/63/55/812486355.db2.gz NAIRSYISCMZQCQ-LBPRGKRZSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001118190117 812488397 /nfs/dbraw/zinc/48/83/97/812488397.db2.gz RDLHKQFCYYRNGV-LBPRGKRZSA-N 2 0 256.394 -0.275 20 0 CBADRP C[C@H]([NH3+])CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001118202417 812494567 /nfs/dbraw/zinc/49/45/67/812494567.db2.gz SXMIIBOLXQWEQH-QMMMGPOBSA-N 2 0 252.322 -0.720 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)COC1CC[NH2+]CC1)C(F)F ZINC001118223590 812500722 /nfs/dbraw/zinc/50/07/22/812500722.db2.gz ODPSBKZJHZFVBC-SECBINFHSA-N 2 0 265.304 -0.146 20 0 CBADRP [NH3+]CC[C@H](NC(=O)COC1CC[NH2+]CC1)C(F)F ZINC001118223592 812501040 /nfs/dbraw/zinc/50/10/40/812501040.db2.gz ODPSBKZJHZFVBC-VIFPVBQESA-N 2 0 265.304 -0.146 20 0 CBADRP C[NH2+]CCCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001118230322 812501593 /nfs/dbraw/zinc/50/15/93/812501593.db2.gz OETWVFMVFLVEKI-NWDGAFQWSA-N 2 0 265.361 -0.327 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(CC(=O)N2CC[NH2+]CC2)C1 ZINC001118261446 812511754 /nfs/dbraw/zinc/51/17/54/812511754.db2.gz VJGAHDBAQOREHV-LBPRGKRZSA-N 2 0 254.378 -0.650 20 0 CBADRP CC(C)(C)[NH2+]CC(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC001118271699 812515707 /nfs/dbraw/zinc/51/57/07/812515707.db2.gz YCGFXDPEHDCCBL-LLVKDONJSA-N 2 0 255.362 -0.348 20 0 CBADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC001118278123 812516656 /nfs/dbraw/zinc/51/66/56/812516656.db2.gz SRUIIFDHMVWGAD-ZYHUDNBSSA-N 2 0 256.394 -0.149 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[NH2+]1 ZINC001118325190 812529510 /nfs/dbraw/zinc/52/95/10/812529510.db2.gz BOFVQKNPZTVRGT-NDBYEHHHSA-N 2 0 296.415 -0.301 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001118325901 812530520 /nfs/dbraw/zinc/53/05/20/812530520.db2.gz LOFIOEXQCVCQDZ-SDDRHHMPSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001118330782 812532209 /nfs/dbraw/zinc/53/22/09/812532209.db2.gz ZCNICEUMVCKPGN-SNVBAGLBSA-N 2 0 296.375 -0.763 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](C)[NH3+] ZINC001158496006 815535437 /nfs/dbraw/zinc/53/54/37/815535437.db2.gz IVVCNURCDOQMRV-XFWSIPNHSA-N 2 0 255.318 -0.914 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C1([NH3+])CC1 ZINC001158495620 815535589 /nfs/dbraw/zinc/53/55/89/815535589.db2.gz AFJILXMJJDXXIE-LPEHRKFASA-N 2 0 267.329 -0.770 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158547410 815538443 /nfs/dbraw/zinc/53/84/43/815538443.db2.gz ONTYWJXUTVKNPS-MEWQQHAOSA-N 2 0 253.346 -0.439 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158548321 815538578 /nfs/dbraw/zinc/53/85/78/815538578.db2.gz SUULJSANOGIUNW-KYEXWDHISA-N 2 0 295.383 -0.656 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N(C)CC[NH3+])CC1 ZINC001118482564 812554079 /nfs/dbraw/zinc/55/40/79/812554079.db2.gz OLBGRPNEYBYREB-UHFFFAOYSA-N 2 0 299.419 -0.423 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC001118485804 812555354 /nfs/dbraw/zinc/55/53/54/812555354.db2.gz GRSLPGNNXFYOKP-QJPTWQEYSA-N 2 0 282.388 -0.547 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@]1(C)CC[NH2+]C1 ZINC001158499099 815536473 /nfs/dbraw/zinc/53/64/73/815536473.db2.gz WIEMFWOKONROAN-UUIJZJDISA-N 2 0 295.383 -0.262 20 0 CBADRP C[C@@H]1CCN(C(=O)c2cn(CC[NH3+])nn2)C[C@@H]1C[NH3+] ZINC001118505277 812561159 /nfs/dbraw/zinc/56/11/59/812561159.db2.gz BVNTZLPFGFRUOO-ZJUUUORDSA-N 2 0 266.349 -0.706 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001118506064 812561974 /nfs/dbraw/zinc/56/19/74/812561974.db2.gz KCBPRPWSDFRGAS-APOZVJGGSA-N 2 0 261.329 -0.566 20 0 CBADRP C([C@@H]1C[NH2+]CCO1)N1CC[NH+](C2CCOCC2)CC1 ZINC001118506394 812562057 /nfs/dbraw/zinc/56/20/57/812562057.db2.gz PAGVCZLPBIQYRL-AWEZNQCLSA-N 2 0 269.389 -0.229 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)n1 ZINC001118510572 812565185 /nfs/dbraw/zinc/56/51/85/812565185.db2.gz JPNIERYFPXDIRW-VDAHYXPESA-N 2 0 263.301 -0.993 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(N[C@H]2CC[NH2+]C2)CC1 ZINC001118521527 812567194 /nfs/dbraw/zinc/56/71/94/812567194.db2.gz QGSGIBQQOUZRKN-ZDUSSCGKSA-N 2 0 268.405 -0.072 20 0 CBADRP CCOC(=O)[C@@]12C[C@@H]1CCN2C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001158535594 815537478 /nfs/dbraw/zinc/53/74/78/815537478.db2.gz XZHAQVUQRNDFAI-COPLHBTASA-N 2 0 283.372 -0.003 20 0 CBADRP [NH3+][C@H]1CC[C@@H]1C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533331 815537512 /nfs/dbraw/zinc/53/75/12/815537512.db2.gz KHPKMMSQQCOGHS-VXUPGSCNSA-N 2 0 265.357 -0.297 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158567834 815538535 /nfs/dbraw/zinc/53/85/35/815538535.db2.gz KQZXHINAOUBAHK-DCAQKATOSA-N 3 0 272.368 -0.412 20 0 CBADRP CCOC(=O)[C@H]1C[NH2+]CCN1C[C@H]1CCC[NH2+]C1 ZINC001118557510 812575890 /nfs/dbraw/zinc/57/58/90/812575890.db2.gz GGOVERCPTROLSP-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C[C@H]1CC[NH2+]C1 ZINC001118569157 812577512 /nfs/dbraw/zinc/57/75/12/812577512.db2.gz CHGVMGFAQRENEH-QWHCGFSZSA-N 2 0 268.405 -0.262 20 0 CBADRP c1cn(C[C@H]2CC[N@@H+](CCN3CC[NH2+]CC3)C2)nn1 ZINC001118568929 812577744 /nfs/dbraw/zinc/57/77/44/812577744.db2.gz KERLVBYJHNYJHJ-ZDUSSCGKSA-N 2 0 264.377 -0.495 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001118569384 812579500 /nfs/dbraw/zinc/57/95/00/812579500.db2.gz GFMCJBSKJXQTNR-VIFPVBQESA-N 2 0 266.349 -0.473 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC001118572985 812580710 /nfs/dbraw/zinc/58/07/10/812580710.db2.gz ZDGCXRQQOPLQMG-KBPBESRZSA-N 2 0 298.431 -0.506 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001118572991 812580843 /nfs/dbraw/zinc/58/08/43/812580843.db2.gz ZDGCXRQQOPLQMG-ZIAGYGMSSA-N 2 0 298.431 -0.506 20 0 CBADRP [NH3+]C1([C@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)C[C@@H]2CF)CC1 ZINC001158566319 815538193 /nfs/dbraw/zinc/53/81/93/815538193.db2.gz BSOWKIJGDADURX-PJSNJIKXSA-N 2 0 296.390 -0.528 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158579600 815539204 /nfs/dbraw/zinc/53/92/04/815539204.db2.gz VPTWHOWDVLJGNX-WOPDTQHZSA-N 3 0 286.395 -0.022 20 0 CBADRP NC1(C(=O)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)CC[NH2+]CC1 ZINC001158576190 815539514 /nfs/dbraw/zinc/53/95/14/815539514.db2.gz AFEFFBMWRZAICK-WDEREUQCSA-N 2 0 284.379 -0.397 20 0 CBADRP N[C@]1(C(=O)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)CC[NH2+]C1 ZINC001158579810 815539819 /nfs/dbraw/zinc/53/98/19/815539819.db2.gz YGTJCBQUPINIBE-GIPNMCIBSA-N 2 0 270.352 -0.787 20 0 CBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3C[NH2+]CCN3)C[C@H]2CF)CC1 ZINC001158578106 815539859 /nfs/dbraw/zinc/53/98/59/815539859.db2.gz KJENNJXZPLPVGX-GMTAPVOTSA-N 2 0 270.352 -0.917 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158577810 815539947 /nfs/dbraw/zinc/53/99/47/815539947.db2.gz JFYIZWOOHWLUAL-MNOVXSKESA-N 3 0 272.368 -0.540 20 0 CBADRP [NH3+]CCN(CCO)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC001118691084 812601730 /nfs/dbraw/zinc/60/17/30/812601730.db2.gz QELPFFTXTDTQEW-SNVBAGLBSA-N 2 0 256.350 -0.909 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001118861009 812642874 /nfs/dbraw/zinc/64/28/74/812642874.db2.gz ZUOHBWAFGIKYNA-UHFFFAOYSA-N 2 0 296.375 -0.810 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001118871601 812648582 /nfs/dbraw/zinc/64/85/82/812648582.db2.gz MHKDWSNWPTUKCJ-TUAOUCFPSA-N 2 0 282.388 -0.737 20 0 CBADRP CO[C@@H]1CN(c2nc(Cl)nc3c2C[NH2+]CC3)C[C@@H]1[NH3+] ZINC001158704369 815543559 /nfs/dbraw/zinc/54/35/59/815543559.db2.gz OOKZVIYDXBPYTR-WCBMZHEXSA-N 2 0 283.763 -0.062 20 0 CBADRP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC001118896993 812656449 /nfs/dbraw/zinc/65/64/49/812656449.db2.gz ITPRDAIRAJOIJU-JZRPKSSGSA-N 2 0 267.373 -0.003 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001118964044 812678058 /nfs/dbraw/zinc/67/80/58/812678058.db2.gz XOWDRZCGEJKZHO-NEPJUHHUSA-N 2 0 282.388 -0.511 20 0 CBADRP [NH3+][C@H]1CN(c2ncc3c(n2)CC[NH2+]C3)CC12COC2 ZINC001158762738 815545479 /nfs/dbraw/zinc/54/54/79/815545479.db2.gz APOZOXBOZDLDRF-NSHDSACASA-N 2 0 261.329 -0.714 20 0 CBADRP O=C(CN1CCC[C@@H]2[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC001118995563 812686582 /nfs/dbraw/zinc/68/65/82/812686582.db2.gz HFAKMSCYVKTXFM-NWDGAFQWSA-N 2 0 252.362 -0.756 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001119036141 812695629 /nfs/dbraw/zinc/69/56/29/812695629.db2.gz DXLRWFOFEVFESM-UTUOFQBUSA-N 2 0 282.388 -0.655 20 0 CBADRP CONC(=O)C1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC001119066795 812704680 /nfs/dbraw/zinc/70/46/80/812704680.db2.gz SCJXHKFDEOSWSP-LBPRGKRZSA-N 2 0 283.372 -0.103 20 0 CBADRP Cc1cnc(N2C[C@@H]([NH3+])C3(COC3)C2)nc1C1C[NH2+]C1 ZINC001158769445 815547562 /nfs/dbraw/zinc/54/75/62/815547562.db2.gz PSWVTFZZUCLTNG-LLVKDONJSA-N 2 0 275.356 -0.364 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@H](CC[NH3+])C(F)F ZINC001119240668 812730612 /nfs/dbraw/zinc/73/06/12/812730612.db2.gz XPGLBPQCUMXADN-SSDOTTSWSA-N 2 0 261.276 -0.409 20 0 CBADRP [NH3+]C1(CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CCOCC1 ZINC001119243849 812731591 /nfs/dbraw/zinc/73/15/91/812731591.db2.gz ZXPAQZYNRZSHNV-ZYHUDNBSSA-N 2 0 253.346 -0.390 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001119295133 812744678 /nfs/dbraw/zinc/74/46/78/812744678.db2.gz RJHLGAJTLAFBLH-NSHDSACASA-N 2 0 272.393 -0.360 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC001119294405 812744705 /nfs/dbraw/zinc/74/47/05/812744705.db2.gz AHPVWBBNEDBHBR-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1CC12CC[NH2+]CC2 ZINC001119298787 812746882 /nfs/dbraw/zinc/74/68/82/812746882.db2.gz BEJWCXXFRMLZIH-MNOVXSKESA-N 2 0 253.346 -0.519 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001119300724 812748446 /nfs/dbraw/zinc/74/84/46/812748446.db2.gz FEIUVNAMLOEOIU-FRRDWIJNSA-N 2 0 268.405 -0.134 20 0 CBADRP C[NH+]1CC2(CN(c3ccc(N4CC[NH2+]CC4)nn3)C2)C1 ZINC001158864306 815550647 /nfs/dbraw/zinc/55/06/47/815550647.db2.gz OSLLZNCDIGSJBK-UHFFFAOYSA-N 2 0 274.372 -0.362 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1C[NH2+]CCO1 ZINC001119324507 812755883 /nfs/dbraw/zinc/75/58/83/812755883.db2.gz GKTGXPFVRXSDPS-IUCAKERBSA-N 2 0 263.288 -0.664 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001119324511 812756132 /nfs/dbraw/zinc/75/61/32/812756132.db2.gz GLNJJTIXOGWQER-BDAKNGLRSA-N 2 0 265.304 -0.289 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1C ZINC001119348507 812762504 /nfs/dbraw/zinc/76/25/04/812762504.db2.gz BJKYBWIYHIMBTM-ZDEQEGDKSA-N 2 0 294.399 -0.452 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001119353432 812764209 /nfs/dbraw/zinc/76/42/09/812764209.db2.gz XJFFGPDDSNQDLS-TUAOUCFPSA-N 2 0 282.388 -0.465 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC001119355853 812765235 /nfs/dbraw/zinc/76/52/35/812765235.db2.gz YZDVOZWIQSHOLS-XYPYZODXSA-N 2 0 294.399 -0.417 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC[N@@H+]1C ZINC001119407220 812777132 /nfs/dbraw/zinc/77/71/32/812777132.db2.gz GLLFUEDLEOXWLW-FRRDWIJNSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001119427247 812781649 /nfs/dbraw/zinc/78/16/49/812781649.db2.gz JREPUQRTNRKWGO-GRYCIOLGSA-N 2 0 282.388 -0.560 20 0 CBADRP c1cc(N2CC[NH2+]CC2)nnc1NC[C@@H]1COCC[NH2+]1 ZINC001159042808 815556058 /nfs/dbraw/zinc/55/60/58/815556058.db2.gz LFSOUTIVLGHBPC-LLVKDONJSA-N 2 0 278.360 -0.714 20 0 CBADRP C[NH+]1CCN(c2ccc(NC[C@H]3COCC[NH2+]3)nn2)CC1 ZINC001159037905 815556111 /nfs/dbraw/zinc/55/61/11/815556111.db2.gz TYTNDYZCIIYUHK-LBPRGKRZSA-N 2 0 292.387 -0.371 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCC(NC(=O)C3CC3)CC2)C1 ZINC001119618276 812834946 /nfs/dbraw/zinc/83/49/46/812834946.db2.gz FIBPBRNICBXVLJ-DRZSPHRISA-N 2 0 267.373 -0.172 20 0 CBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H](N)CC[NH3+])C1 ZINC001159133972 815560790 /nfs/dbraw/zinc/56/07/90/815560790.db2.gz LFSXMQDAWTWSEC-RYUDHWBXSA-N 2 0 294.403 -0.921 20 0 CBADRP C[NH+](C)C[C@H]1NC(=O)N(CCC[NH+]2CCCC2)C1=O ZINC001119693848 812869396 /nfs/dbraw/zinc/86/93/96/812869396.db2.gz SCWWVRFJSUYTMM-LLVKDONJSA-N 2 0 268.361 -0.046 20 0 CBADRP O[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C1(O)CCOCC1 ZINC001119746338 812880966 /nfs/dbraw/zinc/88/09/66/812880966.db2.gz MLFLTHSOHXIHCC-SDDRHHMPSA-N 2 0 256.346 -0.960 20 0 CBADRP Cc1cnc(NC[C@@H]2COCC[NH2+]2)nc1C1C[NH2+]C1 ZINC001159050005 815557453 /nfs/dbraw/zinc/55/74/53/815557453.db2.gz YHOGXNBBLADGIG-LLVKDONJSA-N 2 0 263.345 -0.128 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@H]([NH3+])CCC[NH3+])[C@@H]2CCCO[C@H]12 ZINC001159083938 815557945 /nfs/dbraw/zinc/55/79/45/815557945.db2.gz CTSWASXVGVCYBZ-LPWJVIDDSA-N 2 0 285.388 -0.153 20 0 CBADRP [NH3+]C[C@]12CC[C@H]1CCN2CC(=O)N1CC[NH2+]CC1 ZINC001120263624 812943168 /nfs/dbraw/zinc/94/31/68/812943168.db2.gz AJSQQSMCORRMEY-WCQYABFASA-N 2 0 252.362 -0.769 20 0 CBADRP [NH3+]C[C@@]12CC[C@H]1CCN2CC(=O)N1CC[NH2+]CC1 ZINC001120263620 812943499 /nfs/dbraw/zinc/94/34/99/812943499.db2.gz AJSQQSMCORRMEY-AAEUAGOBSA-N 2 0 252.362 -0.769 20 0 CBADRP Cc1cc(CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)nn1C ZINC001120380753 812957410 /nfs/dbraw/zinc/95/74/10/812957410.db2.gz YFTBXFNQTJRNHV-OAHLLOKOSA-N 2 0 295.431 -0.531 20 0 CBADRP C[NH2+]C[C@H]1CCN(C(=O)c2ccn(CCC[NH3+])n2)C1 ZINC001120452226 812969234 /nfs/dbraw/zinc/96/92/34/812969234.db2.gz HXIDGBPKACGOCS-LLVKDONJSA-N 2 0 265.361 -0.087 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291305 815567307 /nfs/dbraw/zinc/56/73/07/815567307.db2.gz MWKGELBVJIYLBG-LBPRGKRZSA-N 2 0 267.373 -0.360 20 0 CBADRP [NH3+]CCCCNC(=O)NCCN1CCC([NH3+])CC1 ZINC001120545145 812987418 /nfs/dbraw/zinc/98/74/18/812987418.db2.gz ZZXOIWNJTJGANZ-UHFFFAOYSA-N 2 0 257.382 -0.552 20 0 CBADRP COCC[NH2+]CCNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001120544182 812987574 /nfs/dbraw/zinc/98/75/74/812987574.db2.gz PMFGSXLADALQDQ-NWDGAFQWSA-N 2 0 270.377 -0.527 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)N1CCNCC[NH2+]CC1 ZINC001120543793 812988051 /nfs/dbraw/zinc/98/80/51/812988051.db2.gz IAKXQSAGZSGJQJ-LLVKDONJSA-N 2 0 257.382 -0.811 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001120550750 812988748 /nfs/dbraw/zinc/98/87/48/812988748.db2.gz KPZKPCGIVQTNMS-LNFKQOIKSA-N 2 0 254.334 -0.833 20 0 CBADRP [NH3+]Cc1nc(CC(=O)N[C@@H](C[NH3+])C2CC2)cs1 ZINC001120546841 812988864 /nfs/dbraw/zinc/98/88/64/812988864.db2.gz UARUAAPMBAVSHZ-VIFPVBQESA-N 2 0 254.359 -0.002 20 0 CBADRP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001120547078 812988902 /nfs/dbraw/zinc/98/89/02/812988902.db2.gz WWLAJRTVAODDIQ-ZTVLKNOQSA-N 2 0 250.346 -0.273 20 0 CBADRP CN1CCCC[C@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001120566510 812992720 /nfs/dbraw/zinc/99/27/20/812992720.db2.gz CFZKZMZFFFYNTD-GJZGRUSLSA-N 2 0 284.448 -0.331 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001120573455 812994721 /nfs/dbraw/zinc/99/47/21/812994721.db2.gz KPZKPCGIVQTNMS-CHWFTXMASA-N 2 0 254.334 -0.833 20 0 CBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001120578593 812995414 /nfs/dbraw/zinc/99/54/14/812995414.db2.gz FHSQAROEMXNCSA-RNWYCLNJSA-N 2 0 250.346 -0.260 20 0 CBADRP CC1(C)CN(C(=O)NCCN2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001120625098 813000890 /nfs/dbraw/zinc/00/08/90/813000890.db2.gz GRRFVFZNPXDULO-LLVKDONJSA-N 2 0 269.393 -0.730 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)N1CC[NH2+]C[C@@H]1COC ZINC001120631003 813003256 /nfs/dbraw/zinc/00/32/56/813003256.db2.gz VMNRJAAHTMFCNF-WDEREUQCSA-N 2 0 258.366 -0.386 20 0 CBADRP [NH3+]C1(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCOCC1 ZINC001120638010 813004512 /nfs/dbraw/zinc/00/45/12/813004512.db2.gz FGYKZKUTUNKTMJ-OUAUKWLOSA-N 2 0 268.361 -0.314 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC001120647724 813006357 /nfs/dbraw/zinc/00/63/57/813006357.db2.gz CDLUVDWJGDMLBP-RYUDHWBXSA-N 2 0 267.377 -0.835 20 0 CBADRP CCO[C@H](CNC(=O)N(C)[C@@H](C)C[NH3+])C[NH+](C)C ZINC001120651092 813006368 /nfs/dbraw/zinc/00/63/68/813006368.db2.gz OKMBWZDFUGMZQK-WDEREUQCSA-N 2 0 260.382 -0.058 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)NCCN1CCC([NH3+])CC1 ZINC001120648774 813006658 /nfs/dbraw/zinc/00/66/58/813006658.db2.gz LWTQXJQZSIZLOT-GFCCVEGCSA-N 2 0 269.393 -0.458 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001120660619 813007430 /nfs/dbraw/zinc/00/74/30/813007430.db2.gz WKTFSGHUOYCMLK-XYPYZODXSA-N 2 0 258.366 -0.399 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)NCC1([NH3+])CC1 ZINC001120666090 813009374 /nfs/dbraw/zinc/00/93/74/813009374.db2.gz ZUYYSSBAWJVBSB-SNVBAGLBSA-N 2 0 256.350 -0.502 20 0 CBADRP O=C(NC[C@@H]1CCCCC[NH2+]1)N1CCNCC[NH2+]CC1 ZINC001120670588 813010807 /nfs/dbraw/zinc/01/08/07/813010807.db2.gz KDFNTLYRJFIFIX-ZDUSSCGKSA-N 2 0 283.420 -0.277 20 0 CBADRP CN(CC[NH3+])CCNc1ccc(N2CC[NH2+]CC2)nn1 ZINC001159432555 815572880 /nfs/dbraw/zinc/57/28/80/815572880.db2.gz YTNGTRYTKFAFCK-UHFFFAOYSA-N 2 0 279.392 -0.811 20 0 CBADRP CN(CC[NH3+])CCNc1cc2c(nn1)CC[NH2+]C2 ZINC001159436918 815572971 /nfs/dbraw/zinc/57/29/71/815572971.db2.gz CLLRNCCMOHNFHM-UHFFFAOYSA-N 2 0 250.350 -0.575 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC001121809851 813076822 /nfs/dbraw/zinc/07/68/22/813076822.db2.gz ASBMRNSOYSDIPH-QKCSRTOESA-N 2 0 266.389 -0.382 20 0 CBADRP CC[NH+](CC)CCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001121897117 813086040 /nfs/dbraw/zinc/08/60/40/813086040.db2.gz IPWLEVRIAXCVQT-ZDUSSCGKSA-N 2 0 257.378 -0.051 20 0 CBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001121895617 813086207 /nfs/dbraw/zinc/08/62/07/813086207.db2.gz DMRFCGVJQXKRJM-MBNYWOFBSA-N 2 0 268.405 -0.136 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC[NH2+]1 ZINC001121896533 813087090 /nfs/dbraw/zinc/08/70/90/813087090.db2.gz INEOSWXDIPMXHN-IJLUTSLNSA-N 2 0 252.362 -0.805 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001121909458 813089099 /nfs/dbraw/zinc/08/90/99/813089099.db2.gz RQGCWWYJVZUAGN-NEPJUHHUSA-N 2 0 282.388 -0.748 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001121909076 813089247 /nfs/dbraw/zinc/08/92/47/813089247.db2.gz JCZIFTLEWLHREN-OUAUKWLOSA-N 2 0 255.362 -0.172 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1)C(C)C ZINC001121917802 813090173 /nfs/dbraw/zinc/09/01/73/813090173.db2.gz ZBCBYPJOOWFWEK-DGCLKSJQSA-N 2 0 257.378 -0.054 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001121939194 813093586 /nfs/dbraw/zinc/09/35/86/813093586.db2.gz FZHWVMXNXVJFSQ-JQEKQURRSA-N 2 0 264.329 -0.781 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001121939461 813093764 /nfs/dbraw/zinc/09/37/64/813093764.db2.gz JVZNBUKSMRAXBR-SRVKXCTJSA-N 2 0 252.362 -0.913 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC001121938844 813093858 /nfs/dbraw/zinc/09/38/58/813093858.db2.gz YGDARSANVVGBSZ-HHHUOAJASA-N 2 0 257.378 -0.295 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001121975368 813099437 /nfs/dbraw/zinc/09/94/37/813099437.db2.gz RGONGEDWUXMOFG-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCC(O)(C[NH3+])CC1 ZINC001121993930 813101099 /nfs/dbraw/zinc/10/10/99/813101099.db2.gz XKWFVWXNOFPHAX-GHMZBOCLSA-N 2 0 255.362 -0.456 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCn1ccnc1C ZINC001121996050 813102251 /nfs/dbraw/zinc/10/22/51/813102251.db2.gz BRODASPKHPOEDN-ONGXEEELSA-N 2 0 254.334 -0.476 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001121998130 813102783 /nfs/dbraw/zinc/10/27/83/813102783.db2.gz QPOCTQMJRPEQNF-OLZOCXBDSA-N 2 0 266.389 -0.510 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O)[N@H+](C)C1CC1 ZINC001121996105 813103229 /nfs/dbraw/zinc/10/32/29/813103229.db2.gz BIULJRSGDYPGKF-WCQYABFASA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001122010809 813103709 /nfs/dbraw/zinc/10/37/09/813103709.db2.gz ZTXFXWAZMPUQPX-GVWAJWJKSA-N 2 0 269.389 -0.056 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC001122009471 813104160 /nfs/dbraw/zinc/10/41/60/813104160.db2.gz QCOJCPYORZLQBO-BZPMIXESSA-N 2 0 266.389 -0.510 20 0 CBADRP [NH3+][C@H]1CC[C@@H](C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CC1 ZINC001122063588 813110219 /nfs/dbraw/zinc/11/02/19/813110219.db2.gz MUOGAQWZWAXZSC-AXFHLTTASA-N 2 0 253.346 -0.249 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CCCO1 ZINC001122067264 813111776 /nfs/dbraw/zinc/11/17/76/813111776.db2.gz BPWWLLDIEQPILH-WHOHXGKFSA-N 2 0 253.346 -0.582 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@@H]1COC2(C[NH2+]C2)C1)[NH+](C)C ZINC001122064137 813112006 /nfs/dbraw/zinc/11/20/06/813112006.db2.gz UJWOBICEGZDRRW-QWRGUYRKSA-N 2 0 255.362 -0.180 20 0 CBADRP [NH3+]Cc1cc(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)co1 ZINC001122064445 813112029 /nfs/dbraw/zinc/11/20/29/813112029.db2.gz YHEKKOIXKYPTSU-SECBINFHSA-N 2 0 251.286 -0.401 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC001122077620 813114212 /nfs/dbraw/zinc/11/42/12/813114212.db2.gz QMPZHXORTOKXCS-CYBMUJFWSA-N 2 0 269.389 -0.066 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC001122077621 813114252 /nfs/dbraw/zinc/11/42/52/813114252.db2.gz QMPZHXORTOKXCS-ZDUSSCGKSA-N 2 0 269.389 -0.066 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@]1(C)CC[NH2+]C1 ZINC001122079898 813114637 /nfs/dbraw/zinc/11/46/37/813114637.db2.gz TXVXWXZLHBACRE-NQBHXWOUSA-N 2 0 252.362 -0.757 20 0 CBADRP O=C(CC[C@H]1CC[NH2+]C1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001122094993 813115640 /nfs/dbraw/zinc/11/56/40/813115640.db2.gz VOBVEUMHCHMWSU-QWHCGFSZSA-N 2 0 269.389 -0.051 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001122094807 813115700 /nfs/dbraw/zinc/11/57/00/813115700.db2.gz PUDAVTGRNPCQPN-CMPLNLGQSA-N 2 0 255.362 -0.300 20 0 CBADRP Nc1cc[nH+]cc1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001122093719 813115948 /nfs/dbraw/zinc/11/59/48/813115948.db2.gz DRXVXUWNOFQMHS-SNVBAGLBSA-N 2 0 264.329 -0.319 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)NC1(C[NH3+])CCOCC1 ZINC001122096129 813116773 /nfs/dbraw/zinc/11/67/73/813116773.db2.gz PKCQPAQWIZIFFC-SECBINFHSA-N 2 0 261.391 -0.309 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@H]([NH3+])Cc1ccccn1 ZINC001122097426 813117205 /nfs/dbraw/zinc/11/72/05/813117205.db2.gz ZCRCCSWESQBYRT-GFCCVEGCSA-N 2 0 266.345 -0.615 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C3(C[NH3+])CC(O)C3)CC[C@@H]21 ZINC001122108361 813118991 /nfs/dbraw/zinc/11/89/91/813118991.db2.gz PJZMHLAYVKDYRY-ATWGWHJKSA-N 2 0 267.373 -0.361 20 0 CBADRP [NH3+]C1(CC(=O)N2NC(=O)C[C@@]23CC[NH2+]C3)CCC1 ZINC001122110152 813119252 /nfs/dbraw/zinc/11/92/52/813119252.db2.gz OORLZVKEXWJPHA-GFCCVEGCSA-N 2 0 252.318 -0.747 20 0 CBADRP [NH3+][C@@H](CC1CC1)C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001122108200 813119331 /nfs/dbraw/zinc/11/93/31/813119331.db2.gz FHAROFYERWUVOH-JOYOIKCWSA-N 2 0 252.318 -0.891 20 0 CBADRP [NH3+][C@H](CC(=O)N1CC[NH2+]C[C@H]1CO)c1ccccc1 ZINC001122124119 813120472 /nfs/dbraw/zinc/12/04/72/813120472.db2.gz GQFFARFUZRLKPZ-QWHCGFSZSA-N 2 0 263.341 -0.131 20 0 CBADRP [NH3+]CCNCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC001122143554 813124012 /nfs/dbraw/zinc/12/40/12/813124012.db2.gz MUPGOLWKRHDEPC-ZIAGYGMSSA-N 2 0 294.374 -0.064 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001122143138 813124157 /nfs/dbraw/zinc/12/41/57/813124157.db2.gz IDINZOFMLDTHJR-NXEZZACHSA-N 2 0 253.346 -0.521 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)CNCC[NH3+])CCO1 ZINC001122156201 813124636 /nfs/dbraw/zinc/12/46/36/813124636.db2.gz KWXRZWXBEJAOSN-GFCCVEGCSA-N 2 0 272.393 -0.896 20 0 CBADRP C[NH+](C)CCC[C@H]1CN(C(=O)CNCC[NH3+])CCO1 ZINC001122156202 813124731 /nfs/dbraw/zinc/12/47/31/813124731.db2.gz KWXRZWXBEJAOSN-LBPRGKRZSA-N 2 0 272.393 -0.896 20 0 CBADRP C[NH+]1CCC(OCC(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC001122161153 813126134 /nfs/dbraw/zinc/12/61/34/813126134.db2.gz YMULMCIGOSPPIW-CYBMUJFWSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH2+]CCOCCNC(=O)c1ccn(CCC[NH3+])n1 ZINC001122167309 813126876 /nfs/dbraw/zinc/12/68/76/813126876.db2.gz IPZMVJPHKYJRHW-UHFFFAOYSA-N 2 0 269.349 -0.802 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001122184959 813128905 /nfs/dbraw/zinc/12/89/05/813128905.db2.gz LBZWEBWGANLZAC-DDHJBXDOSA-N 2 0 252.362 -0.677 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CC[NH2+]CCC1(C)C ZINC001122191250 813130075 /nfs/dbraw/zinc/13/00/75/813130075.db2.gz VJKOFVCDYDZRNF-GHMZBOCLSA-N 2 0 257.378 -0.197 20 0 CBADRP CC(C)([NH3+])CCC(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001122189926 813130500 /nfs/dbraw/zinc/13/05/00/813130500.db2.gz LJZHMRVUYGNLEO-LBPRGKRZSA-N 2 0 254.334 -0.501 20 0 CBADRP O=C(CCC1CC[NH2+]CC1)N1CCNCC[NH2+]CC1 ZINC001122200785 813131234 /nfs/dbraw/zinc/13/12/34/813131234.db2.gz NYXDOTHGVJJGLH-UHFFFAOYSA-N 2 0 268.405 -0.212 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)C1 ZINC001122205276 813133008 /nfs/dbraw/zinc/13/30/08/813133008.db2.gz FDBAGYADCHUKOK-WXHSDQCUSA-N 2 0 253.346 -0.559 20 0 CBADRP O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CC[NH2+]C[C@@H]1CO ZINC001122207857 813133958 /nfs/dbraw/zinc/13/39/58/813133958.db2.gz IZYVWRCOBDYGCH-FRRDWIJNSA-N 2 0 267.373 -0.585 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[NH2+]CCC12CCC2 ZINC001122208040 813134311 /nfs/dbraw/zinc/13/43/11/813134311.db2.gz NQALGVPEQFTMCH-NEPJUHHUSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CNCC[NH3+] ZINC001122220941 813135469 /nfs/dbraw/zinc/13/54/69/813135469.db2.gz LKAQKZWOAWFVIB-LBPRGKRZSA-N 2 0 277.372 -0.333 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C[C@H]1CC[NH3+] ZINC001122230889 813136625 /nfs/dbraw/zinc/13/66/25/813136625.db2.gz PEYYPAZJYCTGIW-UZWSLXQKSA-N 2 0 255.362 -0.457 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC001122248072 813137230 /nfs/dbraw/zinc/13/72/30/813137230.db2.gz DGNSIXNFXOFTJY-UHFFFAOYSA-N 2 0 296.415 -0.171 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)C[C@H]1C(F)(F)F ZINC001122239722 813137513 /nfs/dbraw/zinc/13/75/13/813137513.db2.gz JWMIIIAQVGJLHZ-BWZBUEFSSA-N 2 0 267.251 -0.677 20 0 CBADRP CN(C(=O)[C@H]1C[C@@]12CC[NH2+]C2)C1(C[NH3+])CCOCC1 ZINC001122269272 813138108 /nfs/dbraw/zinc/13/81/08/813138108.db2.gz LIGZIPWZWCRGSK-DGCLKSJQSA-N 2 0 267.373 -0.048 20 0 CBADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001122281741 813139596 /nfs/dbraw/zinc/13/95/96/813139596.db2.gz DNOOYKRTCXNSCW-NXEZZACHSA-N 2 0 269.345 -0.475 20 0 CBADRP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001122281743 813139764 /nfs/dbraw/zinc/13/97/64/813139764.db2.gz DNOOYKRTCXNSCW-VHSXEESVSA-N 2 0 269.345 -0.475 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001122289485 813140657 /nfs/dbraw/zinc/14/06/57/813140657.db2.gz ZJRRKTTXYGWSJP-GHMZBOCLSA-N 2 0 254.378 -0.619 20 0 CBADRP [NH3+]C[C@H](C(=O)N1CCNCC[NH2+]CC1)c1ccccc1 ZINC001122291247 813141252 /nfs/dbraw/zinc/14/12/52/813141252.db2.gz IXXQMFDRJZICJL-AWEZNQCLSA-N 2 0 276.384 -0.250 20 0 CBADRP [NH3+]C[C@@]1(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCCOC1 ZINC001122301581 813143079 /nfs/dbraw/zinc/14/30/79/813143079.db2.gz HDMRIFJYKBLPFJ-SCRDCRAPSA-N 2 0 267.373 -0.190 20 0 CBADRP [NH3+]Cc1ncc(C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])cn1 ZINC001122318875 813145053 /nfs/dbraw/zinc/14/50/53/813145053.db2.gz AHPAKORXKMRVOA-GWCFXTLKSA-N 2 0 261.329 -0.111 20 0 CBADRP [NH3+]CC1([C@@H]2CCCCN2C(=O)[C@H]([NH3+])CO)CCC1 ZINC001122361517 813153378 /nfs/dbraw/zinc/15/33/78/813153378.db2.gz DXWRRJGPCXSGEC-MNOVXSKESA-N 2 0 255.362 -0.184 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@]12CC[NH2+]C2 ZINC001122410398 813161532 /nfs/dbraw/zinc/16/15/32/813161532.db2.gz BSZQFMJGQQPNQK-CYBMUJFWSA-N 2 0 252.362 -0.754 20 0 CBADRP C[C@@H]1C(=O)Nc2ncnc(N[C@H]([NH3+])CCC[NH3+])c21 ZINC001159784881 815594364 /nfs/dbraw/zinc/59/43/64/815594364.db2.gz LOYSJEVSHTYVLT-BQBZGAKWSA-N 2 0 250.306 -0.032 20 0 CBADRP C[C@H](NC(=O)[C@@H]([NH3+])C1CCC1)[C@@H]1C[N@H+](C)CCN1C ZINC001122447758 813165227 /nfs/dbraw/zinc/16/52/27/813165227.db2.gz HZYPOPWYNFXXEW-DRZSPHRISA-N 2 0 268.405 -0.136 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2c(n1)NC(=O)CO2 ZINC001159785983 815594585 /nfs/dbraw/zinc/59/45/85/815594585.db2.gz VFJJTWMLWNHBBA-QMMMGPOBSA-N 2 0 251.290 -0.152 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001122484293 813169734 /nfs/dbraw/zinc/16/97/34/813169734.db2.gz NYECAZVSFQGKNF-CYDGBPFRSA-N 2 0 266.389 -0.654 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001122484294 813169795 /nfs/dbraw/zinc/16/97/95/813169795.db2.gz NYECAZVSFQGKNF-QNWHQSFQSA-N 2 0 266.389 -0.654 20 0 CBADRP Cc1nc(N[C@@H]([NH3+])CCC[NH3+])cc(-n2cncn2)n1 ZINC001159788728 815595691 /nfs/dbraw/zinc/59/56/91/815595691.db2.gz LHAJWWOWCVBWLL-SECBINFHSA-N 2 0 262.321 -0.199 20 0 CBADRP CCNC(=O)c1ccc(N[C@H]([NH3+])CCC[NH3+])nn1 ZINC001159789553 815595711 /nfs/dbraw/zinc/59/57/11/815595711.db2.gz VLSSQOYEYKZZFW-VIFPVBQESA-N 2 0 252.322 -0.338 20 0 CBADRP COCCOc1ccc(N[C@@H]([NH3+])CCC[NH3+])nn1 ZINC001159788806 815595731 /nfs/dbraw/zinc/59/57/31/815595731.db2.gz MDQZSRGZEHHMFK-SECBINFHSA-N 2 0 255.322 -0.063 20 0 CBADRP COC(=O)c1ncnc(N[C@H]([NH3+])CCC[NH3+])c1OC ZINC001159789772 815596472 /nfs/dbraw/zinc/59/64/72/815596472.db2.gz WXAIGLFLBDTPTJ-ZETCQYMHSA-N 2 0 269.305 -0.293 20 0 CBADRP NC(=O)[C@H]1CCCN1c1cc(N[C@@H]([NH3+])CCC[NH3+])ncn1 ZINC001159790023 815596615 /nfs/dbraw/zinc/59/66/15/815596615.db2.gz ZUZOJCOTCDSDFS-NXEZZACHSA-N 2 0 293.375 -0.634 20 0 CBADRP CN(C)C(=O)c1cncc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159788526 815596657 /nfs/dbraw/zinc/59/66/57/815596657.db2.gz JXNDOAPKKRAWLB-VIFPVBQESA-N 2 0 252.322 -0.386 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001159837800 815599550 /nfs/dbraw/zinc/59/95/50/815599550.db2.gz FTRNUWWOAZBJTJ-ZDUSSCGKSA-N 2 0 298.431 -0.194 20 0 CBADRP C[NH+](C)C1(C(=O)NCCC[NH2+][C@H]2CCNC2=O)CCC1 ZINC001159853345 815599892 /nfs/dbraw/zinc/59/98/92/815599892.db2.gz CGDIDLMQRVOSQF-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159845779 815600247 /nfs/dbraw/zinc/60/02/47/815600247.db2.gz GMAQWZHPTIUPCT-UHFFFAOYSA-N 2 0 270.377 -0.687 20 0 CBADRP C[NH+](C)C1(C(=O)NCCC[NH2+]CC(=O)NC2CC2)CCC1 ZINC001159854269 815600347 /nfs/dbraw/zinc/60/03/47/815600347.db2.gz OGGACECEWFRCDL-UHFFFAOYSA-N 2 0 296.415 -0.155 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159854979 815601753 /nfs/dbraw/zinc/60/17/53/815601753.db2.gz YOCMBARNNDPQHX-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP CCOC(=O)CN(CC[NH3+])c1cc(C[NH3+])ncn1 ZINC001159864145 815601780 /nfs/dbraw/zinc/60/17/80/815601780.db2.gz LOIQWHCBYMJUIM-UHFFFAOYSA-N 2 0 253.306 -0.737 20 0 CBADRP CCOC(=O)CN(CC[NH3+])c1cc(C2C[NH2+]C2)ncn1 ZINC001159866646 815603128 /nfs/dbraw/zinc/60/31/28/815603128.db2.gz VNALCDULQSUMPG-UHFFFAOYSA-N 2 0 279.344 -0.508 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCCn1ccnc1 ZINC001123476857 813241938 /nfs/dbraw/zinc/24/19/38/813241938.db2.gz RHTQNFPZQWUCTR-STQMWFEESA-N 2 0 277.372 -0.222 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001123658656 813258035 /nfs/dbraw/zinc/25/80/35/813258035.db2.gz RPBYQGYOTHHJLD-UPJWGTAASA-N 2 0 268.405 -0.169 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC(C[NH+](C)C)C1 ZINC001123893188 813288625 /nfs/dbraw/zinc/28/86/25/813288625.db2.gz JUSDLPGXWGRLJP-DGCLKSJQSA-N 2 0 266.389 -0.605 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@H]1CCC[NH+]1C ZINC001123938678 813297113 /nfs/dbraw/zinc/29/71/13/813297113.db2.gz HAVCGDSYTGRITF-UPJWGTAASA-N 2 0 266.389 -0.415 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@H]1CCC[NH+]1C ZINC001123938679 813297725 /nfs/dbraw/zinc/29/77/25/813297725.db2.gz HAVCGDSYTGRITF-XQQFMLRXSA-N 2 0 266.389 -0.415 20 0 CBADRP Cn1cc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)cn1 ZINC001124836397 813485071 /nfs/dbraw/zinc/48/50/71/813485071.db2.gz GJSUDPFWHJUPEV-GFCCVEGCSA-N 2 0 265.361 -0.280 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001124838266 813486307 /nfs/dbraw/zinc/48/63/07/813486307.db2.gz UTTJZXHTQOBFFL-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001124866736 813489275 /nfs/dbraw/zinc/48/92/75/813489275.db2.gz JZTBXEDCVKHKBP-AAEUAGOBSA-N 2 0 296.415 -0.299 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001124866503 813489481 /nfs/dbraw/zinc/48/94/81/813489481.db2.gz DUAZUKUNBQVYIT-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001124867680 813491932 /nfs/dbraw/zinc/49/19/32/813491932.db2.gz XWEZQOXXTGTCHA-OLZOCXBDSA-N 2 0 295.387 -0.956 20 0 CBADRP COc1nccc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001124873017 813492795 /nfs/dbraw/zinc/49/27/95/813492795.db2.gz RJKPBKCDTWESJD-LBPRGKRZSA-N 2 0 293.371 -0.215 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001124879659 813495324 /nfs/dbraw/zinc/49/53/24/813495324.db2.gz YBBCGYMOVNHVOP-NWDGAFQWSA-N 2 0 292.387 -0.435 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001127065666 813710612 /nfs/dbraw/zinc/71/06/12/813710612.db2.gz CUNUUECIHUJGKL-NWDGAFQWSA-N 2 0 282.388 -0.547 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256008 813722061 /nfs/dbraw/zinc/72/20/61/813722061.db2.gz LVIOJKBCDOUZHS-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1)C(N)=O ZINC001127322796 813724299 /nfs/dbraw/zinc/72/42/99/813724299.db2.gz WCRJKXSCZSRIIL-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001127480503 813733028 /nfs/dbraw/zinc/73/30/28/813733028.db2.gz KLNDBIHRZPKNAE-VXGBXAGGSA-N 2 0 282.388 -0.702 20 0 CBADRP O=C(NCC[NH2+][C@@H]1CCCNC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127481092 813733405 /nfs/dbraw/zinc/73/34/05/813733405.db2.gz PFGBZORJSQFWQP-QWHCGFSZSA-N 2 0 294.399 -0.687 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1=O ZINC001127480473 813733420 /nfs/dbraw/zinc/73/34/20/813733420.db2.gz KKVVVFAQVXTESW-STQMWFEESA-N 2 0 294.399 -0.735 20 0 CBADRP C[C@H](O)C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127480821 813733471 /nfs/dbraw/zinc/73/34/71/813733471.db2.gz MUYJTZMVQWYKMR-JQWIXIFHSA-N 2 0 255.362 -0.585 20 0 CBADRP O=C(NCC[NH2+]CCOCCO)[C@H]1C[NH+]2CCC1CC2 ZINC001127481077 813733864 /nfs/dbraw/zinc/73/38/64/813733864.db2.gz ORIMGQFVTUHYMY-ZDUSSCGKSA-N 2 0 285.388 -0.957 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481431 813733881 /nfs/dbraw/zinc/73/38/81/813733881.db2.gz UBRHOTZUDGWMRQ-QWHCGFSZSA-N 2 0 285.388 -0.959 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481569 813734221 /nfs/dbraw/zinc/73/42/21/813734221.db2.gz USPYWIVLCRTHMA-CMPLNLGQSA-N 2 0 282.388 -0.832 20 0 CBADRP COC[C@H](C)[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127562989 813735661 /nfs/dbraw/zinc/73/56/61/813735661.db2.gz RIEBZEFNVBREBZ-LBPRGKRZSA-N 2 0 297.403 -0.201 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N2CCCC2)CC[N@@H+]1C ZINC001127653334 813740945 /nfs/dbraw/zinc/74/09/45/813740945.db2.gz SIOUEGPJQNTAFX-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCCO)CC[N@@H+]1C ZINC001127701111 813741075 /nfs/dbraw/zinc/74/10/75/813741075.db2.gz JDYFWVDJGADIIC-NWDGAFQWSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(N)=O ZINC001127700733 813742341 /nfs/dbraw/zinc/74/23/41/813742341.db2.gz CNCNNAUJJCWKQY-QJPTWQEYSA-N 2 0 284.404 -0.314 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659454 813742592 /nfs/dbraw/zinc/74/25/92/813742592.db2.gz BCFLVJWFFNRJBG-YNEHKIRRSA-N 2 0 298.431 -0.053 20 0 CBADRP COCCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127784812 813748252 /nfs/dbraw/zinc/74/82/52/813748252.db2.gz BNXRUNYJMLILBE-ZIAGYGMSSA-N 2 0 299.415 -0.018 20 0 CBADRP O=C(NCC[NH2+]CCF)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779565 813748722 /nfs/dbraw/zinc/74/87/22/813748722.db2.gz OEWKQWQIMHKBSL-QWRGUYRKSA-N 2 0 259.325 -0.475 20 0 CBADRP COCCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127784808 813749437 /nfs/dbraw/zinc/74/94/37/813749437.db2.gz BNXRUNYJMLILBE-KGLIPLIRSA-N 2 0 299.415 -0.018 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001128533616 813778908 /nfs/dbraw/zinc/77/89/08/813778908.db2.gz PBWFMHZEZUTVTO-MNOVXSKESA-N 2 0 290.383 -0.493 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001128533196 813779148 /nfs/dbraw/zinc/77/91/48/813779148.db2.gz IRSBRQWUCBHPLN-WDEREUQCSA-N 2 0 288.367 -0.739 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)c1sccc1C[NH+](C)C ZINC001128539729 813779638 /nfs/dbraw/zinc/77/96/38/813779638.db2.gz ISWOMJTYIVLJMT-UHFFFAOYSA-N 2 0 298.412 -0.125 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]C[C@H](O)COC ZINC001128533119 813779979 /nfs/dbraw/zinc/77/99/79/813779979.db2.gz GZQACPCZRKAZOV-RYUDHWBXSA-N 2 0 293.383 -0.621 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001128778149 813797372 /nfs/dbraw/zinc/79/73/72/813797372.db2.gz BNTXZWOQPDOWOI-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COC ZINC001128778739 813800075 /nfs/dbraw/zinc/80/00/75/813800075.db2.gz LFRUWOYJTMBWHG-OLZOCXBDSA-N 2 0 287.404 -0.426 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129352086 813836233 /nfs/dbraw/zinc/83/62/33/813836233.db2.gz UZYOKNCXBJEBKG-UHFFFAOYSA-N 2 0 294.403 -0.012 20 0 CBADRP C[NH+](C)C1(C(=O)NCC[NH2+]CCNC(=O)C2CC2)CCC1 ZINC001129358877 813840165 /nfs/dbraw/zinc/84/01/65/813840165.db2.gz XCNYYTQRMVZIDP-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129358982 813840416 /nfs/dbraw/zinc/84/04/16/813840416.db2.gz ZXQLERYDQQOZAR-UHFFFAOYSA-N 2 0 270.377 -0.687 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC(=O)NC1CC1)C1CC1 ZINC001129435325 813842192 /nfs/dbraw/zinc/84/21/92/813842192.db2.gz FRTLTJSRSIVKJP-CYBMUJFWSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(N)=O ZINC001129418854 813842469 /nfs/dbraw/zinc/84/24/69/813842469.db2.gz XLEKFRNPOUZAIO-AAEUAGOBSA-N 2 0 296.415 -0.027 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129436536 813842787 /nfs/dbraw/zinc/84/27/87/813842787.db2.gz QSIGKLFEJIMJML-RYUDHWBXSA-N 2 0 273.377 -0.960 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129436956 813842838 /nfs/dbraw/zinc/84/28/38/813842838.db2.gz UANJWBUJSTTWHN-ZDUSSCGKSA-N 2 0 284.404 -0.489 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435096 813842993 /nfs/dbraw/zinc/84/29/93/813842993.db2.gz AQZZRJHVQIDLPP-CYBMUJFWSA-N 2 0 294.403 -0.156 20 0 CBADRP CCCCNC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129437071 813843604 /nfs/dbraw/zinc/84/36/04/813843604.db2.gz VTCJFLNSWFERRT-AWEZNQCLSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CCOCCO)C1CC1 ZINC001129435618 813844205 /nfs/dbraw/zinc/84/42/05/813844205.db2.gz HRCSLEAJRUYNMT-LBPRGKRZSA-N 2 0 273.377 -0.959 20 0 CBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001129437176 813846399 /nfs/dbraw/zinc/84/63/99/813846399.db2.gz WUYUZVCKNFDSRY-NEPJUHHUSA-N 2 0 282.388 -0.689 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129531685 813849562 /nfs/dbraw/zinc/84/95/62/813849562.db2.gz FTQQMXUGEHJHHD-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP C[N@H+](CC(=O)NCC[NH2+]CCN1CCNC1=O)C1CCC1 ZINC001129532091 813850385 /nfs/dbraw/zinc/85/03/85/813850385.db2.gz QQRNUBYLIZJOFX-UHFFFAOYSA-N 2 0 297.403 -0.798 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001129849461 813869556 /nfs/dbraw/zinc/86/95/56/813869556.db2.gz GFWPSKZCKVRGPI-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CCCO ZINC001129842426 813870065 /nfs/dbraw/zinc/87/00/65/813870065.db2.gz XJPWMWMFJILEEU-LBPRGKRZSA-N 2 0 257.378 -0.051 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129842536 813870474 /nfs/dbraw/zinc/87/04/74/813870474.db2.gz ZNSREHZKIIYGIS-OLZOCXBDSA-N 2 0 287.404 -0.426 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001129842030 813871224 /nfs/dbraw/zinc/87/12/24/813871224.db2.gz RZAZYBZEOXHFHO-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CCn1cncn1 ZINC001129840051 813871392 /nfs/dbraw/zinc/87/13/92/813871392.db2.gz FEXBXEXMPUNDHG-CYBMUJFWSA-N 2 0 294.403 -0.142 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001129842005 813872015 /nfs/dbraw/zinc/87/20/15/813872015.db2.gz RQMVWRRMWNOHMJ-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129842535 813872308 /nfs/dbraw/zinc/87/23/08/813872308.db2.gz ZNSREHZKIIYGIS-CHWSQXEVSA-N 2 0 287.404 -0.426 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001129949876 813882102 /nfs/dbraw/zinc/88/21/02/813882102.db2.gz JESBILYVUAZCSJ-NEPJUHHUSA-N 2 0 286.420 -0.245 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947277 813883233 /nfs/dbraw/zinc/88/32/33/813883233.db2.gz RNLVEUMYVLXBHU-NEPJUHHUSA-N 2 0 275.393 -0.714 20 0 CBADRP O=C(NCC[NH2+]CCO)C12CCC[NH+](CCC1)C2 ZINC001130173824 813913155 /nfs/dbraw/zinc/91/31/55/813913155.db2.gz PMBAIXIBRVEPEE-UHFFFAOYSA-N 2 0 255.362 -0.440 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130189968 813916338 /nfs/dbraw/zinc/91/63/38/813916338.db2.gz UJMNJCWOCWCLSV-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CCN1CCCC1=O)[NH+](C)C ZINC001130200008 813917121 /nfs/dbraw/zinc/91/71/21/813917121.db2.gz AXGJRHVDXRSOJL-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CCOCCOC)[NH+](C)C ZINC001130202896 813919267 /nfs/dbraw/zinc/91/92/67/813919267.db2.gz BLETYYOFUYFCRJ-GFCCVEGCSA-N 2 0 275.393 -0.305 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001130297109 813922941 /nfs/dbraw/zinc/92/29/41/813922941.db2.gz IDLGJCLOCCZGLA-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130297251 813923031 /nfs/dbraw/zinc/92/30/31/813923031.db2.gz JKZKMYHVHWQVQW-CYBMUJFWSA-N 2 0 287.404 -0.161 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001130297287 813924227 /nfs/dbraw/zinc/92/42/27/813924227.db2.gz KCRQKOXUMPBCOE-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(N)=O ZINC001130300855 813924603 /nfs/dbraw/zinc/92/46/03/813924603.db2.gz WHUMYMJPNOEBCT-VHSXEESVSA-N 2 0 256.350 -0.950 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001130297290 813924626 /nfs/dbraw/zinc/92/46/26/813924626.db2.gz KCRQKOXUMPBCOE-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130297772 813924774 /nfs/dbraw/zinc/92/47/74/813924774.db2.gz QXDSTTKGFXIFJV-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130297507 813924954 /nfs/dbraw/zinc/92/49/54/813924954.db2.gz NLQNSCGUJDDZMY-VXGBXAGGSA-N 2 0 273.377 -0.816 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001130303773 813925958 /nfs/dbraw/zinc/92/59/58/813925958.db2.gz JLUXVRWYMKKHSB-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP Cc1c(C(=O)NCC[NH2+][C@@H](C)C(N)=O)ccc2c[nH+]cn21 ZINC001130656720 813960857 /nfs/dbraw/zinc/96/08/57/813960857.db2.gz ZBPGFJGSEPNLRU-VIFPVBQESA-N 2 0 289.339 -0.164 20 0 CBADRP O=C(C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2)N1CCC1 ZINC001130806002 813984006 /nfs/dbraw/zinc/98/40/06/813984006.db2.gz XWZMORMCTJEXAE-UHFFFAOYSA-N 2 0 294.399 -0.447 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130805734 813984165 /nfs/dbraw/zinc/98/41/65/813984165.db2.gz KNTWYZYZIBGZBA-UHFFFAOYSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H](O)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130808801 813984426 /nfs/dbraw/zinc/98/44/26/813984426.db2.gz RVGLECZFRCVPEH-NSHDSACASA-N 2 0 255.362 -0.299 20 0 CBADRP O=C(NCC[NH2+][C@@H]1CCNC1=O)C12CCC[NH+]1CCC2 ZINC001130805821 813984538 /nfs/dbraw/zinc/98/45/38/813984538.db2.gz OILGLAZSMQTDLB-LLVKDONJSA-N 2 0 280.372 -0.791 20 0 CBADRP O=C(NCC[NH2+][C@H]1CCCNC1=O)C12CCC[NH+]1CCC2 ZINC001130805689 813984580 /nfs/dbraw/zinc/98/45/80/813984580.db2.gz IKNFUPFWCFUAFT-LBPRGKRZSA-N 2 0 294.399 -0.401 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130869620 813989138 /nfs/dbraw/zinc/98/91/38/813989138.db2.gz CNYROGXTZIROBG-ZDUSSCGKSA-N 2 0 292.339 -0.339 20 0 CBADRP O=C(NCC[NH2+]CCOCCO)c1ccc2c[nH+]cn2c1 ZINC001131373058 814025028 /nfs/dbraw/zinc/02/50/28/814025028.db2.gz YMYKNNUEDUBFNW-UHFFFAOYSA-N 2 0 292.339 -0.337 20 0 CBADRP COC[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131522135 814037067 /nfs/dbraw/zinc/03/70/67/814037067.db2.gz UFYDBWWEADTXPN-OYNVLQORSA-N 2 0 297.399 -0.410 20 0 CBADRP O=C(NCC[NH2+][C@H]1CCNC1=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790543 814069593 /nfs/dbraw/zinc/06/95/93/814069593.db2.gz PCJSOJOOIKYWIY-QWHCGFSZSA-N 2 0 294.399 -0.545 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790816 814069605 /nfs/dbraw/zinc/06/96/05/814069605.db2.gz WIFGWLJETAZTOO-CQSZACIVSA-N 2 0 296.415 -0.297 20 0 CBADRP CC(C)(C(=O)NCC[NH2+][C@@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001132283690 814120036 /nfs/dbraw/zinc/12/00/36/814120036.db2.gz CZBOWKXJKGYBKE-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP CC(C)(C(=O)NCC[NH2+]CC(=O)N1CCC1)[NH+]1CCCC1 ZINC001132280890 814120758 /nfs/dbraw/zinc/12/07/58/814120758.db2.gz WQXUJJVYWQYFLU-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP CC(C)(C(=O)NCC[NH2+]CC(=O)NC1CC1)[NH+]1CCCC1 ZINC001132284176 814122258 /nfs/dbraw/zinc/12/22/58/814122258.db2.gz ZRNWENCNONCRDX-UHFFFAOYSA-N 2 0 296.415 -0.155 20 0 CBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCOC2)C1 ZINC001132848849 814193735 /nfs/dbraw/zinc/19/37/35/814193735.db2.gz UHDWIFPKDXDNGA-KGLIPLIRSA-N 2 0 299.415 -0.162 20 0 CBADRP CO[C@@H](C)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848824 814193904 /nfs/dbraw/zinc/19/39/04/814193904.db2.gz SWEKIAYBTCIKRF-STQMWFEESA-N 2 0 287.404 -0.164 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886102 814196805 /nfs/dbraw/zinc/19/68/05/814196805.db2.gz CEJZTPFIUUFKIY-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2cnnn2C)CC[N@@H+]1C ZINC001132886210 814197430 /nfs/dbraw/zinc/19/74/30/814197430.db2.gz FYJIFAQYOYUCGM-RYUDHWBXSA-N 2 0 294.403 -0.249 20 0 CBADRP CN1CCC[C@@H]([NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001132992527 814203820 /nfs/dbraw/zinc/20/38/20/814203820.db2.gz AUOIBVUOFIPDQL-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC(=O)NC2CC2)CC1 ZINC001132992870 814205917 /nfs/dbraw/zinc/20/59/17/814205917.db2.gz HUENRWHQUAVJFS-UHFFFAOYSA-N 2 0 282.388 -0.687 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993109 814207125 /nfs/dbraw/zinc/20/71/25/814207125.db2.gz NWGVEYAYTYTUFM-UHFFFAOYSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC1CC1 ZINC001132995484 814207221 /nfs/dbraw/zinc/20/72/21/814207221.db2.gz VCZVOZBKCAHRRF-NSHDSACASA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993427 814207632 /nfs/dbraw/zinc/20/76/32/814207632.db2.gz TXSPBPHGBXUBMV-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)CCCC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001133040193 814211488 /nfs/dbraw/zinc/21/14/88/814211488.db2.gz FOMZZRTZQXLQMH-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040361 814211985 /nfs/dbraw/zinc/21/19/85/814211985.db2.gz NBPNQUDTLCPTSC-UHFFFAOYSA-N 2 0 258.366 -0.830 20 0 CBADRP C[NH+](C)CCCC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001133040192 814212126 /nfs/dbraw/zinc/21/21/26/814212126.db2.gz FOMZZRTZQXLQMH-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001133274338 814233427 /nfs/dbraw/zinc/23/34/27/814233427.db2.gz GMAVANNXTZIXJZ-QWHCGFSZSA-N 2 0 298.431 -0.112 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133287037 814235619 /nfs/dbraw/zinc/23/56/19/814235619.db2.gz DDEJDWNVHQLJHO-UHFFFAOYSA-N 2 0 270.377 -0.878 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133287901 814236458 /nfs/dbraw/zinc/23/64/58/814236458.db2.gz PKPZEWSMVWDTBH-UHFFFAOYSA-N 2 0 258.366 -0.830 20 0 CBADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001133309815 814239118 /nfs/dbraw/zinc/23/91/18/814239118.db2.gz HORWRUYAZNUDQF-OLZOCXBDSA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001133309817 814239587 /nfs/dbraw/zinc/23/95/87/814239587.db2.gz HORWRUYAZNUDQF-STQMWFEESA-N 2 0 296.415 -0.358 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001133419280 814252218 /nfs/dbraw/zinc/25/22/18/814252218.db2.gz KZLRIRZFDSZNKF-ZYHUDNBSSA-N 2 0 298.387 -0.916 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC)[NH+](CC)CC ZINC001133690236 814287047 /nfs/dbraw/zinc/28/70/47/814287047.db2.gz JQNBDLZZZKGACH-VXGBXAGGSA-N 2 0 286.420 -0.053 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)[NH+](CC)CC ZINC001133684976 814288428 /nfs/dbraw/zinc/28/84/28/814288428.db2.gz OEJJOTWHNVQIER-QWRGUYRKSA-N 2 0 272.393 -0.314 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133819737 814300731 /nfs/dbraw/zinc/30/07/31/814300731.db2.gz MZOIDAFOERSIRK-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001133833886 814301694 /nfs/dbraw/zinc/30/16/94/814301694.db2.gz ISEBQFAQWVKIOG-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]Cc1cnnn1C ZINC001133833715 814302266 /nfs/dbraw/zinc/30/22/66/814302266.db2.gz DDWSDISYWRJDTF-NSHDSACASA-N 2 0 280.376 -0.495 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001133824009 814302351 /nfs/dbraw/zinc/30/23/51/814302351.db2.gz VVFPXGWKOSUSTR-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133823403 814302844 /nfs/dbraw/zinc/30/28/44/814302844.db2.gz FNXQJOCZASAIJA-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001133824011 814303414 /nfs/dbraw/zinc/30/34/14/814303414.db2.gz VVFPXGWKOSUSTR-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133849830 814306237 /nfs/dbraw/zinc/30/62/37/814306237.db2.gz FCXIJIQPLFXSLX-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CCN2CCCC2=O)C1 ZINC001133846394 814307356 /nfs/dbraw/zinc/30/73/56/814307356.db2.gz ZZIIOLLRSOZILJ-CYBMUJFWSA-N 2 0 296.415 -0.344 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(N)=O ZINC001133845738 814308287 /nfs/dbraw/zinc/30/82/87/814308287.db2.gz MMYIZTWVTVPFGJ-GHMZBOCLSA-N 2 0 270.377 -0.702 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1=O ZINC001133845688 814308877 /nfs/dbraw/zinc/30/88/77/814308877.db2.gz LRVYXRJATQOIGB-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133869280 814312940 /nfs/dbraw/zinc/31/29/40/814312940.db2.gz CIFXSGNEBGSRIS-STQMWFEESA-N 2 0 298.431 -0.243 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001133866578 814313218 /nfs/dbraw/zinc/31/32/18/814313218.db2.gz NNCMHBCREGFQES-NWDGAFQWSA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ccnn1C ZINC001133866691 814313577 /nfs/dbraw/zinc/31/35/77/814313577.db2.gz NRUSULWCEQVJHR-DGCLKSJQSA-N 2 0 279.388 -0.176 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001133867399 814314120 /nfs/dbraw/zinc/31/41/20/814314120.db2.gz UAIWJPSFDXSCFM-WCQYABFASA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001133866580 814315982 /nfs/dbraw/zinc/31/59/82/814315982.db2.gz NNCMHBCREGFQES-VXGBXAGGSA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cnnn1C ZINC001133870434 814318237 /nfs/dbraw/zinc/31/82/37/814318237.db2.gz UAEMDSDSHKPZQQ-CMPLNLGQSA-N 2 0 280.376 -0.781 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133899461 814319224 /nfs/dbraw/zinc/31/92/24/814319224.db2.gz HSTMYBZRFOXSNG-UHFFFAOYSA-N 2 0 296.419 -0.001 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)C[N@@H+]2CCC(C)(C)C2)C1=O ZINC001133896449 814319260 /nfs/dbraw/zinc/31/92/60/814319260.db2.gz JNGQYTYWUSIVJN-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@H+](CC(=O)NCC[NH2+]CC(=O)N1CCC1)CC(C)(C)C ZINC001133899472 814319644 /nfs/dbraw/zinc/31/96/44/814319644.db2.gz IGMLHATUZZRRKF-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133896293 814320508 /nfs/dbraw/zinc/32/05/08/814320508.db2.gz HDVFWFMYHKUZRQ-LBPRGKRZSA-N 2 0 287.404 -0.569 20 0 CBADRP C[N@H+](CC(=O)NCC[NH2+]CCn1cncn1)CC(C)(C)C ZINC001133908418 814322320 /nfs/dbraw/zinc/32/23/20/814322320.db2.gz QIRDPKFZEZHBKA-UHFFFAOYSA-N 2 0 296.419 -0.038 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)C1CC1)[NH+](C)C ZINC001133967733 814331329 /nfs/dbraw/zinc/33/13/29/814331329.db2.gz BGQSHENRMMJRLH-LBPRGKRZSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21)[NH+](C)C ZINC001133966190 814331340 /nfs/dbraw/zinc/33/13/40/814331340.db2.gz WXBXLSKZTHOPJN-RYUDHWBXSA-N 2 0 294.403 -0.189 20 0 CBADRP C[C@H](C[C@H](C)NC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(N)=O ZINC001134583632 814397360 /nfs/dbraw/zinc/39/73/60/814397360.db2.gz MRAFKHNWHQGKMR-MNOVXSKESA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001134763116 814411278 /nfs/dbraw/zinc/41/12/78/814411278.db2.gz MJWSSPUCPFPOEO-LLVKDONJSA-N 2 0 270.377 -0.560 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780651 814413341 /nfs/dbraw/zinc/41/33/41/814413341.db2.gz QCRNZPBVGDGKLR-UHFFFAOYSA-N 2 0 284.404 -0.488 20 0 CBADRP C[C@H](C[C@H](C)NC(=O)C12CCC[NH+]1CCC2)[NH2+]CC(N)=O ZINC001134857544 814419920 /nfs/dbraw/zinc/41/99/20/814419920.db2.gz FBUPTQGERZCIHN-NEPJUHHUSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H](O)C[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135117953 814438914 /nfs/dbraw/zinc/43/89/14/814438914.db2.gz DZIQUQDPFSXKFM-NSHDSACASA-N 2 0 283.376 -0.855 20 0 CBADRP COC[C@H](C)[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135118405 814439160 /nfs/dbraw/zinc/43/91/60/814439160.db2.gz LQVZKPWYFWBDDU-LBPRGKRZSA-N 2 0 297.403 -0.201 20 0 CBADRP COCCC[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135118435 814439635 /nfs/dbraw/zinc/43/96/35/814439635.db2.gz MPWJCVAIKDMTPV-UHFFFAOYSA-N 2 0 297.403 -0.199 20 0 CBADRP C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298346 814460794 /nfs/dbraw/zinc/46/07/94/814460794.db2.gz LMHCRBUFHIWDQJ-QWRGUYRKSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1)C(N)=O ZINC001135334202 814462140 /nfs/dbraw/zinc/46/21/40/814462140.db2.gz LLFZRODQZDWIQG-LLVKDONJSA-N 2 0 292.383 -0.059 20 0 CBADRP Cn1ncnc1C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159915746 815605011 /nfs/dbraw/zinc/60/50/11/815605011.db2.gz MYUOJZYYOIWEDM-ZDUSSCGKSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@@H](O)C[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997336 815606036 /nfs/dbraw/zinc/60/60/36/815606036.db2.gz MIPXPRPDCXSISN-LLVKDONJSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@H](C[C@@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CC[NH+](C)C ZINC001135370973 814470358 /nfs/dbraw/zinc/47/03/58/814470358.db2.gz BYARFDQAAOBDTM-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP CN1CC[C@@H]([NH2+]CCCNC(=O)[C@H](C2CC2)[NH+](C)C)C1=O ZINC001159931484 815606512 /nfs/dbraw/zinc/60/65/12/815606512.db2.gz DVTNKMMSZKWQMI-OLZOCXBDSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C)C(=O)N(C)C ZINC001159932242 815606525 /nfs/dbraw/zinc/60/65/25/815606525.db2.gz PJSAZNMCFTVDCU-AAEUAGOBSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159932364 815606688 /nfs/dbraw/zinc/60/66/88/815606688.db2.gz PTJJTUYRAVDVMU-CMPLNLGQSA-N 2 0 257.378 -0.197 20 0 CBADRP CN(C)C(=O)C[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997532 815606704 /nfs/dbraw/zinc/60/67/04/815606704.db2.gz QSOQFRPWDSQKDY-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CN1CC[C@H]([NH2+]CCCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1=O ZINC001159931485 815606742 /nfs/dbraw/zinc/60/67/42/815606742.db2.gz DVTNKMMSZKWQMI-QWHCGFSZSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C)C(N)=O ZINC001159931608 815606844 /nfs/dbraw/zinc/60/68/44/815606844.db2.gz GTTXOLUTOQNUGQ-NEPJUHHUSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](O)C[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997337 815606853 /nfs/dbraw/zinc/60/68/53/815606853.db2.gz MIPXPRPDCXSISN-NSHDSACASA-N 2 0 257.378 -0.053 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135510907 814481919 /nfs/dbraw/zinc/48/19/19/814481919.db2.gz IBOHEBAEQXWNBZ-UHFFFAOYSA-N 2 0 258.366 -0.830 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001135513265 814482010 /nfs/dbraw/zinc/48/20/10/814482010.db2.gz KDQKCXMDYASAJW-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP CC1CC[NH+](CC(=O)NCC[NH2+]CC(=O)NC2CC2)CC1 ZINC001135707101 814513705 /nfs/dbraw/zinc/51/37/05/814513705.db2.gz VBADCFDBQOXHLD-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001135743502 814517290 /nfs/dbraw/zinc/51/72/90/814517290.db2.gz LKTVFNNJOSHCDT-VXGBXAGGSA-N 2 0 286.420 -0.053 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160428316 815620404 /nfs/dbraw/zinc/62/04/04/815620404.db2.gz ZZPZGIITIYGUGQ-ZDUSSCGKSA-N 2 0 286.420 -0.195 20 0 CBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001160421543 815618960 /nfs/dbraw/zinc/61/89/60/815618960.db2.gz VAMJVNMMFYZQNS-ZDUSSCGKSA-N 2 0 296.419 -0.003 20 0 CBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CCOCCO)[NH+](C)C ZINC001160427878 815619136 /nfs/dbraw/zinc/61/91/36/815619136.db2.gz WHAIAKIGUBOPKN-ZDUSSCGKSA-N 2 0 289.420 -0.323 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC ZINC001135861223 814531764 /nfs/dbraw/zinc/53/17/64/814531764.db2.gz OBLZZGXGQIITKE-NWDGAFQWSA-N 2 0 286.420 -0.053 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001135861673 814533690 /nfs/dbraw/zinc/53/36/90/814533690.db2.gz VGSGFVQDDSWIDS-WDEREUQCSA-N 2 0 272.393 -0.314 20 0 CBADRP CC(C)[C@@H](C(=O)NCCC[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001160426941 815619553 /nfs/dbraw/zinc/61/95/53/815619553.db2.gz KKOIHNASFMRVTL-RYUDHWBXSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)[NH2+]CCO ZINC001135956056 814540489 /nfs/dbraw/zinc/54/04/89/814540489.db2.gz OUBRERCOVGLTQA-NEPJUHHUSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@H](C[C@@H](C)[NH2+]CCO)NC(=O)C12CC[NH+](CC1)C2 ZINC001135956059 814540615 /nfs/dbraw/zinc/54/06/15/814540615.db2.gz OUBRERCOVGLTQA-VXGBXAGGSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]C[C@@H]2CCOC2)CC1 ZINC001135963453 814540765 /nfs/dbraw/zinc/54/07/65/814540765.db2.gz NHAGZUMSAODYPU-ZDUSSCGKSA-N 2 0 299.415 -0.161 20 0 CBADRP CO[C@@H](C)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959598 814541417 /nfs/dbraw/zinc/54/14/17/814541417.db2.gz QIUWKPJBLYIWIG-LBPRGKRZSA-N 2 0 287.404 -0.162 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)Cn1ccccc1=O ZINC001141921330 814671963 /nfs/dbraw/zinc/67/19/63/814671963.db2.gz DVLOHPIAQCTGGH-UHFFFAOYSA-N 2 0 265.317 -0.691 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CNC(=O)c1cccnc1 ZINC001142110906 814688484 /nfs/dbraw/zinc/68/84/84/814688484.db2.gz OCLPPDFNUMEFAN-UHFFFAOYSA-N 2 0 292.343 -0.728 20 0 CBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)C3([NH3+])CC3)CC[C@@H]2C1 ZINC001159635134 815582673 /nfs/dbraw/zinc/58/26/73/815582673.db2.gz HZCWIYZBGFLZLR-CHWSQXEVSA-N 2 0 297.399 -0.327 20 0 CBADRP OC[C@H]1C[NH2+]C[C@H]1Nc1ncnc2c1CC[NH2+]CC2 ZINC001159671204 815583392 /nfs/dbraw/zinc/58/33/92/815583392.db2.gz IOXUBWVIPCYQDQ-BXKDBHETSA-N 2 0 263.345 -0.843 20 0 CBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)C2C[NH+](C)C2)C1 ZINC001142593984 814720231 /nfs/dbraw/zinc/72/02/31/814720231.db2.gz SEIMWXPWTOUNEV-LBPRGKRZSA-N 2 0 291.399 -0.035 20 0 CBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C2C[NH+](C)C2)O1 ZINC001142600432 814722394 /nfs/dbraw/zinc/72/23/94/814722394.db2.gz VGDPKPWKNZMDFU-NQBHXWOUSA-N 2 0 271.361 -0.611 20 0 CBADRP C[NH+]1CCN(c2ccc(N[C@H]3C[NH2+]C[C@@H]3CO)nn2)CC1 ZINC001159672691 815584797 /nfs/dbraw/zinc/58/47/97/815584797.db2.gz RRBBRFQJNXPSLW-NEPJUHHUSA-N 2 0 292.387 -0.779 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@H]1Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC001159680557 815587966 /nfs/dbraw/zinc/58/79/66/815587966.db2.gz KCWZBLTUMNQXDD-WCQYABFASA-N 2 0 277.372 -0.517 20 0 CBADRP CN(CC(=O)N1CCO[C@H](C[NH+]2CCCC2)C1)C(N)=[NH2+] ZINC001144136335 814773286 /nfs/dbraw/zinc/77/32/86/814773286.db2.gz IPFVCMAFBUYCHX-LLVKDONJSA-N 2 0 283.376 -0.865 20 0 CBADRP CN(CC(=O)N(C)CC1CC[NH+](C)CC1)C(N)=[NH2+] ZINC001144132063 814773436 /nfs/dbraw/zinc/77/34/36/814773436.db2.gz CWVHMNRNSDMMDE-UHFFFAOYSA-N 2 0 255.366 -0.388 20 0 CBADRP C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001146341492 814837578 /nfs/dbraw/zinc/83/75/78/814837578.db2.gz YYZWINKCOMPABA-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CCOCCOC ZINC001146704506 814843340 /nfs/dbraw/zinc/84/33/40/814843340.db2.gz CEKYONMHVMWIHG-UHFFFAOYSA-N 2 0 275.393 -0.303 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)CC[N@H+](C)CC)C(N)=O ZINC001146710204 814843352 /nfs/dbraw/zinc/84/33/52/814843352.db2.gz FOANXUVRWDBUHB-JTQLQIEISA-N 2 0 258.366 -0.702 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)CC[N@H+](C)CC)C1=O ZINC001146710226 814844327 /nfs/dbraw/zinc/84/43/27/814844327.db2.gz GQKZDNMACXYAHL-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1cncn1C ZINC001146718819 814844907 /nfs/dbraw/zinc/84/49/07/814844907.db2.gz GGCVNZKWELWFAU-UHFFFAOYSA-N 2 0 267.377 -0.032 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cc[nH]c(=O)c1 ZINC001146908664 814855776 /nfs/dbraw/zinc/85/57/76/814855776.db2.gz OWUWDIKSVVGOIM-UHFFFAOYSA-N 2 0 251.290 -0.138 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147826601 814918110 /nfs/dbraw/zinc/91/81/10/814918110.db2.gz YPIKQJIMJUSOOQ-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP Cn1nccc1C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147841285 814918950 /nfs/dbraw/zinc/91/89/50/814918950.db2.gz CUWRZDIIGTWRSF-UHFFFAOYSA-N 2 0 283.376 -0.796 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)NC2CC2)C1 ZINC001147877003 814920662 /nfs/dbraw/zinc/92/06/62/814920662.db2.gz BSBQNTUGSLWPMC-NSHDSACASA-N 2 0 282.388 -0.687 20 0 CBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC[C@@H]1CCCO1 ZINC001147848669 814920878 /nfs/dbraw/zinc/92/08/78/814920878.db2.gz RZBFDFOGEQSYJI-ZDUSSCGKSA-N 2 0 287.404 -0.161 20 0 CBADRP CC(C)COCC[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147848894 814920903 /nfs/dbraw/zinc/92/09/03/814920903.db2.gz YIEFFFNANJUBED-UHFFFAOYSA-N 2 0 289.420 -0.057 20 0 CBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@H]1CCCOC1 ZINC001147848649 814921361 /nfs/dbraw/zinc/92/13/61/814921361.db2.gz RLQBYDMUKMKDKK-CYBMUJFWSA-N 2 0 287.404 -0.303 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001147885468 814922367 /nfs/dbraw/zinc/92/23/67/814922367.db2.gz MJLBRLMKCCKLKQ-VXGBXAGGSA-N 2 0 282.388 -0.687 20 0 CBADRP CCCCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147878108 814922731 /nfs/dbraw/zinc/92/27/31/814922731.db2.gz SACDTHULBIAPDU-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147878212 814923058 /nfs/dbraw/zinc/92/30/58/814923058.db2.gz VCSITMBETISWDK-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CCOCCO)C1CC1 ZINC001159923387 815604434 /nfs/dbraw/zinc/60/44/34/815604434.db2.gz DERRQTHNDHAFLM-ZDUSSCGKSA-N 2 0 287.404 -0.569 20 0 CBADRP Cn1nnnc1C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159916320 815604643 /nfs/dbraw/zinc/60/46/43/815604643.db2.gz QXGYOQUUNYQQKI-LBPRGKRZSA-N 2 0 295.391 -0.854 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159916739 815604793 /nfs/dbraw/zinc/60/47/93/815604793.db2.gz RTYNVKRZNCWUSE-CHWSQXEVSA-N 2 0 287.404 -0.570 20 0 CBADRP COCCN(C(=O)[C@@]1(N)CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC001160439054 815621845 /nfs/dbraw/zinc/62/18/45/815621845.db2.gz GNKPFOFOAYVONY-OAHLLOKOSA-N 2 0 298.431 -0.364 20 0 CBADRP COCCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)C1CC[NH+](C)CC1 ZINC001160441294 815622470 /nfs/dbraw/zinc/62/24/70/815622470.db2.gz WBKRRMYCTVRFGE-OLZOCXBDSA-N 2 0 285.388 -0.864 20 0 CBADRP COCCN(C(=O)[C@@H](N)CC[NH3+])C1CC[NH+](C)CC1 ZINC001160440559 815622632 /nfs/dbraw/zinc/62/26/32/815622632.db2.gz REYOTWJCQPVHFG-LBPRGKRZSA-N 2 0 272.393 -0.768 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCNC(=O)[C@@H]1C ZINC001160450635 815623580 /nfs/dbraw/zinc/62/35/80/815623580.db2.gz GDMPOLPBBOTGON-RYUDHWBXSA-N 2 0 284.404 -0.171 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001160453942 815623819 /nfs/dbraw/zinc/62/38/19/815623819.db2.gz HARJXSIIYNJHKJ-NWDGAFQWSA-N 2 0 255.362 -0.633 20 0 CBADRP C[NH2+]CC1CCN(C(=O)C2(N)CC[NH2+]CC2)CC1 ZINC001160459975 815625038 /nfs/dbraw/zinc/62/50/38/815625038.db2.gz UTWLHDKYBUSYAB-UHFFFAOYSA-N 2 0 254.378 -0.475 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)CC1 ZINC001160457045 815625467 /nfs/dbraw/zinc/62/54/67/815625467.db2.gz WSBWXUSPSYWFLI-BZPMIXESSA-N 2 0 266.389 -0.334 20 0 CBADRP O=C([C@@H]1CC[NH2+]1)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490709 815630392 /nfs/dbraw/zinc/63/03/92/815630392.db2.gz DUOAJEFFTDFDJC-LBPRGKRZSA-N 2 0 253.346 -0.329 20 0 CBADRP CN(C)C(=O)CN(C)C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001160504940 815631040 /nfs/dbraw/zinc/63/10/40/815631040.db2.gz RBUJTPSNZVZSRF-NSHDSACASA-N 2 0 272.393 -0.408 20 0 CBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC001160515515 815632355 /nfs/dbraw/zinc/63/23/55/815632355.db2.gz KKIRKLNMXXZWOC-WDEREUQCSA-N 2 0 255.318 -0.913 20 0 CBADRP C[N@@H+]1C[C@@H](C(=O)N2CCC([NH3+])CC2)OC2(CC[NH2+]CC2)C1 ZINC001160511803 815632765 /nfs/dbraw/zinc/63/27/65/815632765.db2.gz VLIIFOIJIRRETE-ZDUSSCGKSA-N 3 0 296.415 -0.611 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@H](c2cccnc2)C1 ZINC001160524393 815632806 /nfs/dbraw/zinc/63/28/06/815632806.db2.gz LNAMYHPJAIQCER-AVGNSLFASA-N 2 0 260.341 -0.056 20 0 CBADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC001160515512 815632816 /nfs/dbraw/zinc/63/28/16/815632816.db2.gz KKIRKLNMXXZWOC-GHMZBOCLSA-N 2 0 255.318 -0.913 20 0 CBADRP [NH3+]C1CCN(C(=O)c2cnc3n2CC[NH2+]CC3)CC1 ZINC001160522843 815632961 /nfs/dbraw/zinc/63/29/61/815632961.db2.gz OADSEYAWLFLQGL-UHFFFAOYSA-N 2 0 263.345 -0.408 20 0 CBADRP [NH3+]C1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001160513639 815633110 /nfs/dbraw/zinc/63/31/10/815633110.db2.gz HLZPWXCVZBTLKG-STQMWFEESA-N 2 0 294.399 -0.321 20 0 CBADRP [NH3+]C[C@@]1(Nc2ncc3c(n2)CC[NH2+]C3)CN2CCC1CC2 ZINC001160512413 815633314 /nfs/dbraw/zinc/63/33/14/815633314.db2.gz VKAFBQUMFBICHV-OAHLLOKOSA-N 3 0 288.399 -0.043 20 0 CBADRP COC(=O)[C@@H]1C[C@H](C(=O)N2CCC([NH3+])CC2)CCN1 ZINC001160513276 815633379 /nfs/dbraw/zinc/63/33/79/815633379.db2.gz ARSHTTHJQMLXBF-KOLCDFICSA-N 2 0 269.345 -0.523 20 0 CBADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001160539533 815633636 /nfs/dbraw/zinc/63/36/36/815633636.db2.gz WLCGMHNWAYGQML-QXEWZRGKSA-N 2 0 277.328 -0.850 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CC(CO)C1 ZINC001160531137 815634563 /nfs/dbraw/zinc/63/45/63/815634563.db2.gz GCLHUDZIILQBJH-LBPRGKRZSA-N 2 0 257.378 -0.067 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC001160538409 815634649 /nfs/dbraw/zinc/63/46/49/815634649.db2.gz XHYBVQSADIVGEB-VXGBXAGGSA-N 2 0 255.362 -0.491 20 0 CBADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001160539240 815634732 /nfs/dbraw/zinc/63/47/32/815634732.db2.gz OKLSIZNTJHMVFY-KLBPJQLPSA-N 2 0 273.340 -0.107 20 0 CBADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@@]1(N)CC[NH2+]C1 ZINC001160542490 815634964 /nfs/dbraw/zinc/63/49/64/815634964.db2.gz YLFJGLUAQOAVFB-TVQRCGJNSA-N 2 0 276.344 -0.882 20 0 CBADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@@]1(N)CC[NH2+]C1 ZINC001160542487 815635870 /nfs/dbraw/zinc/63/58/70/815635870.db2.gz YLFJGLUAQOAVFB-NOZJJQNGSA-N 2 0 276.344 -0.882 20 0 CBADRP CN(CC1(C)COC1)C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001160549713 815636556 /nfs/dbraw/zinc/63/65/56/815636556.db2.gz VTHXFQCGCWXSDM-LLVKDONJSA-N 2 0 255.362 -0.192 20 0 CBADRP Cn1ncc2c1CN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C2 ZINC001160565034 815638292 /nfs/dbraw/zinc/63/82/92/815638292.db2.gz MQHVKBWTEPLUFF-BXUZGUMPSA-N 2 0 275.356 -0.539 20 0 CBADRP Cn1ncc2c1CN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001160565224 815638544 /nfs/dbraw/zinc/63/85/44/815638544.db2.gz OITDYZHFNDNMMO-JTQLQIEISA-N 2 0 261.329 -0.929 20 0 CBADRP Cn1ncc2c1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001160564408 815638775 /nfs/dbraw/zinc/63/87/75/815638775.db2.gz GQWNRHQFQVGTDL-JTQLQIEISA-N 2 0 251.334 -0.281 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCN(c2cccnn2)CC1 ZINC001160572079 815639688 /nfs/dbraw/zinc/63/96/88/815639688.db2.gz YWGAXJVRHCNYRJ-LBPRGKRZSA-N 2 0 292.387 -0.419 20 0 CBADRP CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001160577559 815639745 /nfs/dbraw/zinc/63/97/45/815639745.db2.gz MRJOWPXPHPXCSF-LBPRGKRZSA-N 3 0 280.416 -0.262 20 0 CBADRP CC(C)(C)[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001160577387 815639990 /nfs/dbraw/zinc/63/99/90/815639990.db2.gz KREFDXUHGWCYJM-DOMZBBRYSA-N 2 0 280.416 -0.119 20 0 CBADRP CC(C)(C)[NH+]1CCN(C(=O)[C@@]2(N)CC[NH2+]C2)CC1 ZINC001160577295 815640225 /nfs/dbraw/zinc/64/02/25/815640225.db2.gz IZLINAKFXUMEGH-CYBMUJFWSA-N 2 0 254.378 -0.380 20 0 CBADRP CCOC(=O)[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001160580763 815641040 /nfs/dbraw/zinc/64/10/40/815641040.db2.gz AKIUWYVZFHRMPX-MNOVXSKESA-N 2 0 271.361 -0.003 20 0 CBADRP CC(C)(C)[NH+]1CCN(C(=O)[C@H]2[NH2+]CC[C@H]2O)CC1 ZINC001160580814 815641262 /nfs/dbraw/zinc/64/12/62/815641262.db2.gz CGCBWGUTUMGWMY-MNOVXSKESA-N 2 0 255.362 -0.348 20 0 CBADRP COC(=O)C[C@H]1CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCO1 ZINC001160596933 815644424 /nfs/dbraw/zinc/64/44/24/815644424.db2.gz XPORMZOCXRCCFF-AAEUAGOBSA-N 2 0 299.371 -0.896 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@H](n2cncn2)C1 ZINC001160635608 815646617 /nfs/dbraw/zinc/64/66/17/815646617.db2.gz BCCQQEWWRWXUKK-RYUDHWBXSA-N 2 0 290.371 -0.749 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN(CCF)CC1 ZINC001160629925 815646716 /nfs/dbraw/zinc/64/67/16/815646716.db2.gz UXYRRHJXNCXTPZ-LBPRGKRZSA-N 2 0 274.384 -0.183 20 0 CBADRP CN(CC1COC1)C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160644535 815650630 /nfs/dbraw/zinc/65/06/30/815650630.db2.gz GCQLPJFMXLJYGY-GFCCVEGCSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH+](C)C1(C)CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001160644329 815650647 /nfs/dbraw/zinc/65/06/47/815650647.db2.gz BYRIOZJCRRYHBX-NSHDSACASA-N 3 0 256.394 -0.005 20 0 CBADRP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160643430 815650770 /nfs/dbraw/zinc/65/07/70/815650770.db2.gz HWGDPYSUXLBIAP-OUAUKWLOSA-N 2 0 273.377 -0.297 20 0 CBADRP C[NH+](C)C1(C)CN(C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001160644511 815651007 /nfs/dbraw/zinc/65/10/07/815651007.db2.gz FETBGTNDRLYDFL-ZWNOBZJWSA-N 2 0 252.362 -0.900 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])C2Cc3ccccc3C2)CCO1 ZINC001160643671 815651025 /nfs/dbraw/zinc/65/10/25/815651025.db2.gz MAJKPRXUZIVESI-GJZGRUSLSA-N 2 0 289.379 -0.085 20 0 CBADRP C[NH+](C)C1(C)CN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001160646228 815652167 /nfs/dbraw/zinc/65/21/67/815652167.db2.gz XKCDZLFRMZNQKL-JTQLQIEISA-N 2 0 268.361 -0.901 20 0 CBADRP C[C@@H]1C[C@H](O)CCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160656369 815653054 /nfs/dbraw/zinc/65/30/54/815653054.db2.gz WKBCOMQECSXPJH-HKUMRIAESA-N 2 0 267.373 -0.443 20 0 CBADRP CC(C)[C@]1(C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)CCC[NH2+]C1 ZINC001160655498 815653272 /nfs/dbraw/zinc/65/32/72/815653272.db2.gz OHHIRQIVBCMZDA-BZPMIXESSA-N 2 0 269.389 -0.067 20 0 CBADRP CC(C)[C@H]1COCCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160670363 815655847 /nfs/dbraw/zinc/65/58/47/815655847.db2.gz XYWDHZNOIQEHAR-WDEREUQCSA-N 2 0 275.418 -0.111 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001160670290 815655996 /nfs/dbraw/zinc/65/59/96/815655996.db2.gz WAFSKHJSLUMTPE-OLZOCXBDSA-N 2 0 297.399 -0.720 20 0 CBADRP CN(CCC1OCCO1)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160683495 815657041 /nfs/dbraw/zinc/65/70/41/815657041.db2.gz MUKUHHYRFYQBNH-SNVBAGLBSA-N 2 0 269.345 -0.983 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160695410 815658450 /nfs/dbraw/zinc/65/84/50/815658450.db2.gz LBPPKZKTLNBGFQ-UMVBOHGHSA-N 3 0 280.416 -0.357 20 0 CBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160695443 815659148 /nfs/dbraw/zinc/65/91/48/815659148.db2.gz LNTQLHADBAHLJG-RYUDHWBXSA-N 3 0 256.394 -0.099 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[NH2+]C1 ZINC001160695169 815659370 /nfs/dbraw/zinc/65/93/70/815659370.db2.gz IZPYXOFKRUHBJJ-MNOVXSKESA-N 2 0 257.334 -0.665 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160694699 815659411 /nfs/dbraw/zinc/65/94/11/815659411.db2.gz DCLSUAZYCVWLQL-VXGBXAGGSA-N 3 0 266.389 -0.747 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]2C1 ZINC001160705318 815662263 /nfs/dbraw/zinc/66/22/63/815662263.db2.gz VEBPQTNSZCBLPE-TUAOUCFPSA-N 3 0 254.378 -0.537 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(n2cnnc2)CC1 ZINC001160718323 815663038 /nfs/dbraw/zinc/66/30/38/815663038.db2.gz FJGKVMVNFBHZKQ-LBPRGKRZSA-N 2 0 290.371 -0.749 20 0 CBADRP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[NH+]2CCC1CC2 ZINC001160726812 815665635 /nfs/dbraw/zinc/66/56/35/815665635.db2.gz WLCJCDSAIODOPJ-AWEZNQCLSA-N 2 0 295.431 -0.957 20 0 CBADRP CCN(CC(C)(C)O)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160755671 815666934 /nfs/dbraw/zinc/66/69/34/815666934.db2.gz ODBWNRKVQUNMMO-GFCCVEGCSA-N 2 0 286.420 -0.644 20 0 CBADRP CCN(CC(C)(C)O)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160755385 815667155 /nfs/dbraw/zinc/66/71/55/815667155.db2.gz HGUADEBCIVMPEE-VIFPVBQESA-N 2 0 263.407 -0.375 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001160760168 815668988 /nfs/dbraw/zinc/66/89/88/815668988.db2.gz FWOPRBUVQPBSLJ-KXUCPTDWSA-N 2 0 277.315 -0.207 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001160766861 815670305 /nfs/dbraw/zinc/67/03/05/815670305.db2.gz XKTJTXKBOZBPHJ-UYXSQOIJSA-N 2 0 281.278 -0.017 20 0 CBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H](C)C[NH3+])C[C@H]1C[NH2+]CC2 ZINC001160812290 815673640 /nfs/dbraw/zinc/67/36/40/815673640.db2.gz MVPNDXYIRTXGRV-MISXGVKJSA-N 2 0 283.372 -0.418 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC001160840020 815676070 /nfs/dbraw/zinc/67/60/70/815676070.db2.gz TZQIMVKLYBJXSP-VXGBXAGGSA-N 2 0 271.361 -0.846 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)C1CC2(C[NH2+]C2)C1 ZINC001160840028 815676191 /nfs/dbraw/zinc/67/61/91/815676191.db2.gz UFXVWMRDATYKLY-GFCCVEGCSA-N 2 0 267.373 -0.225 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001160840836 815677890 /nfs/dbraw/zinc/67/78/90/815677890.db2.gz ZVCGYIKCHDOMGB-STQMWFEESA-N 3 0 284.404 -0.898 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001160840593 815677926 /nfs/dbraw/zinc/67/79/26/815677926.db2.gz YKJXHAQAEABZHK-NEPJUHHUSA-N 2 0 287.404 -0.082 20 0 CBADRP COC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001160857997 815680236 /nfs/dbraw/zinc/68/02/36/815680236.db2.gz VQUHVOXAXYRWJJ-JHJVBQTASA-N 2 0 287.404 -0.164 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160862577 815682046 /nfs/dbraw/zinc/68/20/46/815682046.db2.gz RFAYXJBZKNDUDA-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+]CCN1CCNC1=O)[NH+](C)C ZINC001160882915 815683510 /nfs/dbraw/zinc/68/35/10/815683510.db2.gz ATOVCMUKPWJDNO-GFCCVEGCSA-N 2 0 299.419 -0.552 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+]CCOCCO)[NH+](C)C ZINC001160883001 815683590 /nfs/dbraw/zinc/68/35/90/815683590.db2.gz DVOGJAYMAOEEIG-GFCCVEGCSA-N 2 0 275.393 -0.569 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001160883286 815684021 /nfs/dbraw/zinc/68/40/21/815684021.db2.gz KCYLYGCKUBYXNG-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+]Cc1nncn1C)[NH+](C)C ZINC001160883298 815684463 /nfs/dbraw/zinc/68/44/63/815684463.db2.gz KWVFJSUIKAVNOM-LLVKDONJSA-N 2 0 282.392 -0.249 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC(Oc2cnccn2)CC1 ZINC001160890222 815684943 /nfs/dbraw/zinc/68/49/43/815684943.db2.gz IHJAKYQTTMOISI-LBPRGKRZSA-N 2 0 293.371 -0.087 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001160883624 815685405 /nfs/dbraw/zinc/68/54/05/815685405.db2.gz QIHAPSBHKXRCLJ-GHMZBOCLSA-N 2 0 298.387 -0.772 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)[NH+](C)C ZINC001160883464 815685834 /nfs/dbraw/zinc/68/58/34/815685834.db2.gz NLDALHMBIOYZOX-LLVKDONJSA-N 2 0 293.433 -0.533 20 0 CBADRP O=C(C1CC2(C[NH2+]C2)C1)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915688 815686703 /nfs/dbraw/zinc/68/67/03/815686703.db2.gz JNODHVPMROYOFL-UHFFFAOYSA-N 2 0 273.340 -0.219 20 0 CBADRP COC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160909284 815686817 /nfs/dbraw/zinc/68/68/17/815686817.db2.gz RFHSEZNRQXPGHH-ZGVCCVRISA-N 2 0 279.384 -0.036 20 0 CBADRP [NH3+][C@H](C(=O)N(CCO)CC(F)(F)F)C1CC[NH2+]CC1 ZINC001160909128 815687402 /nfs/dbraw/zinc/68/74/02/815687402.db2.gz NBGKCOBACQKDJD-VIFPVBQESA-N 2 0 283.294 -0.304 20 0 CBADRP O=C(C1CC[NH2+]CC1)N(c1ncccn1)C1C[NH2+]C1 ZINC001160916160 815688680 /nfs/dbraw/zinc/68/86/80/815688680.db2.gz WMZSRLIRULRIGP-UHFFFAOYSA-N 2 0 261.329 -0.219 20 0 CBADRP C[C@H]1CN(C)C(=O)CN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160940787 815690243 /nfs/dbraw/zinc/69/02/43/815690243.db2.gz GSPXWXZJZJMVJN-NWDGAFQWSA-N 2 0 294.399 -0.450 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C2 ZINC001160965813 815691054 /nfs/dbraw/zinc/69/10/54/815691054.db2.gz YLJUEDOZCIBRJW-RJIGXRTESA-N 2 0 287.429 -0.508 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C2 ZINC001160965851 815691089 /nfs/dbraw/zinc/69/10/89/815691089.db2.gz ZCEYFSVDSIJTLY-SCDSUCTJSA-N 2 0 277.372 -0.310 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C2 ZINC001160965170 815691257 /nfs/dbraw/zinc/69/12/57/815691257.db2.gz UFBFMSHDOIFXAG-NTZNESFSSA-N 3 0 254.378 -0.537 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C2 ZINC001160964646 815691449 /nfs/dbraw/zinc/69/14/49/815691449.db2.gz RDEQAGXPFLHZCX-RRCSTGOVSA-N 3 0 292.427 -0.404 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)CN1CC[NH2+]CC1)C2 ZINC001160962646 815691811 /nfs/dbraw/zinc/69/18/11/815691811.db2.gz FFVZJKNKOPOVSH-TZMCWYRMSA-N 2 0 266.389 -0.698 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@]1(N)CCC[NH2+]C1)C2 ZINC001160965461 815691926 /nfs/dbraw/zinc/69/19/26/815691926.db2.gz VJRBNMHVCFMNIH-MRVWCRGKSA-N 2 0 266.389 -0.523 20 0 CBADRP O=C(C1CC2(C[NH2+]C2)C1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000270 815693880 /nfs/dbraw/zinc/69/38/80/815693880.db2.gz QPIRMODLYNFXMJ-LBPRGKRZSA-N 2 0 279.384 -0.299 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161007117 815693965 /nfs/dbraw/zinc/69/39/65/815693965.db2.gz HWQMUDMMBNEMLB-QWHCGFSZSA-N 3 0 298.431 -0.452 20 0 CBADRP CC(C)[C@H](C[NH3+])C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001670 815694385 /nfs/dbraw/zinc/69/43/85/815694385.db2.gz ZFUVYJHXQDEPFT-RYUDHWBXSA-N 2 0 269.389 -0.067 20 0 CBADRP [NH3+][C@@H](C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1)C1CC[NH2+]CC1 ZINC001161009742 815695148 /nfs/dbraw/zinc/69/51/48/815695148.db2.gz XSJNWTYXWFPHOQ-CHWSQXEVSA-N 3 0 296.415 -0.971 20 0 CBADRP O=C([C@@H]1CC[NH2+]C[C@@H]1F)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161007696 815695161 /nfs/dbraw/zinc/69/51/61/815695161.db2.gz LYJIWKKMWNVCQC-GRYCIOLGSA-N 2 0 285.363 -0.351 20 0 CBADRP C[C@@H]1CN(C(=O)C2=NO[C@@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC001161015941 815696371 /nfs/dbraw/zinc/69/63/71/815696371.db2.gz MOIFLDHOBHPTBE-SKDRFNHKSA-N 2 0 252.318 -0.685 20 0 CBADRP C[C@@H]1CN(C(=O)c2csc(N3CC[NH2+]CC3)n2)CC[NH2+]1 ZINC001161022083 815698502 /nfs/dbraw/zinc/69/85/02/815698502.db2.gz ILRZNOAPLAXSLY-SNVBAGLBSA-N 2 0 295.412 -0.013 20 0 CBADRP NC(=S)C1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001161030754 815699801 /nfs/dbraw/zinc/69/98/01/815699801.db2.gz HNLRADVXWMZTKM-JTQLQIEISA-N 2 0 282.413 -0.680 20 0 CBADRP Cn1nnnc1C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161033838 815701759 /nfs/dbraw/zinc/70/17/59/815701759.db2.gz ZZDKNUCNCPGPII-NSHDSACASA-N 2 0 295.391 -0.710 20 0 CBADRP CC(=O)[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001161034212 815702260 /nfs/dbraw/zinc/70/22/60/815702260.db2.gz CQDBJKSATWPETJ-YRGRVCCFSA-N 2 0 265.357 -0.377 20 0 CBADRP CC(=O)[C@@H]1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161039256 815702271 /nfs/dbraw/zinc/70/22/71/815702271.db2.gz OVETWOCALOWYRG-DGCLKSJQSA-N 2 0 282.388 -0.826 20 0 CBADRP Cn1nncc1C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161041862 815703394 /nfs/dbraw/zinc/70/33/94/815703394.db2.gz MYSBWTLCGADIEX-ZDUSSCGKSA-N 2 0 294.403 -0.105 20 0 CBADRP Cn1ncnc1C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161041676 815703796 /nfs/dbraw/zinc/70/37/96/815703796.db2.gz LAALNJONJHJORV-LBPRGKRZSA-N 2 0 294.403 -0.105 20 0 CBADRP CN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161042065 815704183 /nfs/dbraw/zinc/70/41/83/815704183.db2.gz NKVFHMRVSAZLBP-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161042739 815704360 /nfs/dbraw/zinc/70/43/60/815704360.db2.gz UHRUKJSUJRBYQP-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001161050390 815704759 /nfs/dbraw/zinc/70/47/59/815704759.db2.gz MPPAZXNWTHQBDG-STQMWFEESA-N 2 0 296.415 -0.742 20 0 CBADRP CN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2CCCC[N@@H+]2C)C1=O ZINC001161052922 815704810 /nfs/dbraw/zinc/70/48/10/815704810.db2.gz PFTIFLQRUNCOKZ-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N(C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161062598 815705031 /nfs/dbraw/zinc/70/50/31/815705031.db2.gz KSOUIQBLYCLBSN-ZDEQEGDKSA-N 2 0 283.372 -0.134 20 0 CBADRP CN(C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161060770 815705125 /nfs/dbraw/zinc/70/51/25/815705125.db2.gz CWZFKWWWWWWIPJ-HXNLIRTISA-N 2 0 266.389 -0.064 20 0 CBADRP CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161058168 815705595 /nfs/dbraw/zinc/70/55/95/815705595.db2.gz PAFNLCLFOFLEMV-AXFHLTTASA-N 2 0 285.392 -0.510 20 0 CBADRP CN(C(=O)[C@H]1C[NH2+]CCN1C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161061603 815706171 /nfs/dbraw/zinc/70/61/71/815706171.db2.gz HOROOOSGTGLOBO-QJPTWQEYSA-N 2 0 254.378 -0.382 20 0 CBADRP CN(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)[C@H]1CCCC[C@H]1[NH3+] ZINC001161058548 815706263 /nfs/dbraw/zinc/70/62/63/815706263.db2.gz XSBSOUMQKUDRGX-TUAOUCFPSA-N 3 0 266.389 -0.476 20 0 CBADRP CN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)C1(C)CC[NH2+]CC1 ZINC001161073514 815706701 /nfs/dbraw/zinc/70/67/01/815706701.db2.gz OOQREXWHDRXTHZ-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CN(C(=O)C1(N)CC[NH2+]CC1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161064957 815706712 /nfs/dbraw/zinc/70/67/12/815706712.db2.gz UGRAJCKQLWISQT-MNOVXSKESA-N 2 0 254.378 -0.204 20 0 CBADRP CN(C(=O)[C@@]1(N)CCC[NH2+]C1)C1(C)CC[NH2+]CC1 ZINC001161073201 815707405 /nfs/dbraw/zinc/70/74/05/815707405.db2.gz KYDMYULFHWVYKI-CYBMUJFWSA-N 2 0 254.378 -0.332 20 0 CBADRP CCOC(=O)C1(C(=O)N(C)[C@@H]2CCCC[C@H]2[NH3+])C[NH2+]C1 ZINC001161064504 815707564 /nfs/dbraw/zinc/70/75/64/815707564.db2.gz QFJUBOCVLKXQEG-GHMZBOCLSA-N 2 0 283.372 -0.133 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1(C)CC[NH2+]CC1 ZINC001161074336 815707651 /nfs/dbraw/zinc/70/76/51/815707651.db2.gz ZNMKXEFKBUGPPB-JTQLQIEISA-N 3 0 274.434 -0.394 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001161084008 815711396 /nfs/dbraw/zinc/71/13/96/815711396.db2.gz VYGYDYSEVUABPP-FPMFFAJLSA-N 2 0 291.399 -0.158 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@H]21 ZINC001161081873 815711695 /nfs/dbraw/zinc/71/16/95/815711695.db2.gz MHOPJWZWXQOMBP-DDHJBXDOSA-N 2 0 253.346 -0.738 20 0 CBADRP [NH3+]CCN(CCNc1ccc2c(n1)CC[NH2+]C2)N(O)N=O ZINC001161087342 815713181 /nfs/dbraw/zinc/71/31/81/815713181.db2.gz LRCUKHQUCNAOBW-UHFFFAOYSA-N 2 0 295.347 -0.313 20 0 CBADRP CCN(CCC(=O)OC)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001161130312 815717163 /nfs/dbraw/zinc/71/71/63/815717163.db2.gz HHISQOWBUVEEPM-VIFPVBQESA-N 2 0 277.390 -0.583 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@]1(C)CCC[NH2+]1 ZINC001161157842 815723606 /nfs/dbraw/zinc/72/36/06/815723606.db2.gz LVZFBWOKKKGYHZ-ZDUSSCGKSA-N 2 0 271.361 -0.131 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)C3(N)CC[NH2+]CC3)C[C@H]2C1 ZINC001161175972 815724317 /nfs/dbraw/zinc/72/43/17/815724317.db2.gz QLZJOYLSSHOGJH-BETUJISGSA-N 2 0 280.416 -0.133 20 0 CBADRP CC(C)(O)CCN1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001161174747 815724956 /nfs/dbraw/zinc/72/49/56/815724956.db2.gz DTPMRLDLWZMINV-GFCCVEGCSA-N 2 0 286.420 -0.642 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1Cc2ccnn2CC[C@H]1CO ZINC001161171417 815725128 /nfs/dbraw/zinc/72/51/28/815725128.db2.gz LCADPLGFAAGRRF-STQMWFEESA-N 2 0 295.387 -0.567 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@H]2C1 ZINC001161176386 815725820 /nfs/dbraw/zinc/72/58/20/815725820.db2.gz TZUHTJQEJDBNCX-NDBYEHHHSA-N 2 0 267.373 -0.491 20 0 CBADRP CN(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219192 815728770 /nfs/dbraw/zinc/72/87/70/815728770.db2.gz OEKWAFXHHCPAQX-QNWHQSFQSA-N 3 0 278.400 -0.463 20 0 CBADRP CN(C(=O)c1ccc([C@H](N)C[NH3+])cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161221374 815728891 /nfs/dbraw/zinc/72/88/91/815728891.db2.gz MLCSZBCSJWFRHH-RQJABVFESA-N 2 0 274.368 -0.065 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@H](n2ccnn2)C1 ZINC001161234319 815729741 /nfs/dbraw/zinc/72/97/41/815729741.db2.gz AMOXGGXWEKMQKA-RYUDHWBXSA-N 2 0 290.371 -0.749 20 0 CBADRP C[C@H]1CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C[C@H](C)[NH2+]1 ZINC001161229111 815729991 /nfs/dbraw/zinc/72/99/91/815729991.db2.gz DQJXCHGYTXMTON-DSEUGIAESA-N 2 0 261.391 -0.709 20 0 CBADRP C[C@H]1CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C[C@H](C)[NH2+]1 ZINC001161229112 815730116 /nfs/dbraw/zinc/73/01/16/815730116.db2.gz DQJXCHGYTXMTON-JFEPYHJCSA-N 2 0 261.391 -0.709 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]C[C@@H](O)COC ZINC001161226640 815730493 /nfs/dbraw/zinc/73/04/93/815730493.db2.gz MELJXUUZCSUTAJ-GFCCVEGCSA-N 2 0 289.420 -0.180 20 0 CBADRP C[C@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@H](C)[NH2+]1 ZINC001161231794 815730542 /nfs/dbraw/zinc/73/05/42/815730542.db2.gz QPAOBDNMWOZMKW-GUBZILKMSA-N 3 0 260.407 -0.786 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]CCOCCO ZINC001161226376 815730748 /nfs/dbraw/zinc/73/07/48/815730748.db2.gz FULNXYORRMWBDR-UHFFFAOYSA-N 2 0 289.420 -0.179 20 0 CBADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161246048 815733474 /nfs/dbraw/zinc/73/34/74/815733474.db2.gz IDHLMZKVAUTDEM-CMPLNLGQSA-N 3 0 258.341 -0.787 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161246904 815733616 /nfs/dbraw/zinc/73/36/16/815733616.db2.gz RVPGMBHBTZJFAP-GAFUQQFSSA-N 2 0 288.367 -0.625 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161246667 815734276 /nfs/dbraw/zinc/73/42/76/815734276.db2.gz NMMNSGJRZPJACD-GXFFZTMASA-N 2 0 288.367 -0.625 20 0 CBADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)C1 ZINC001161245386 815734330 /nfs/dbraw/zinc/73/43/30/815734330.db2.gz DCSQXKMVSHAXJS-KCQAQPDRSA-N 2 0 298.406 -0.040 20 0 CBADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C1 ZINC001161239325 815734463 /nfs/dbraw/zinc/73/44/63/815734463.db2.gz JMZWJJMXOIRMSI-MEWQQHAOSA-N 2 0 271.336 -0.347 20 0 CBADRP CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001161270341 815735396 /nfs/dbraw/zinc/73/53/96/815735396.db2.gz MYNANEZRBQDRKR-MNOVXSKESA-N 2 0 288.417 -0.867 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC[C@@H](Oc2ncccn2)C1 ZINC001161295546 815737279 /nfs/dbraw/zinc/73/72/79/815737279.db2.gz LIRFYEROUZIECQ-NEPJUHHUSA-N 2 0 293.371 -0.087 20 0 CBADRP Cc1cccc(N(C(=O)[C@@H](N)C[NH3+])C2CC[NH2+]CC2)n1 ZINC001161304034 815738099 /nfs/dbraw/zinc/73/80/99/815738099.db2.gz SZCWCICSTALQPA-LBPRGKRZSA-N 2 0 277.372 -0.239 20 0 CBADRP CCN(C(=O)[C@]12C[NH2+]C[C@@H]1CCN2)[C@H]1CCC[NH2+]C1 ZINC001161331677 815741240 /nfs/dbraw/zinc/74/12/40/815741240.db2.gz FVQRBKQIXWUQJN-OBJOEFQTSA-N 2 0 266.389 -0.462 20 0 CBADRP CCN(C(=O)[C@]12C[NH2+]C[C@@H]1CCN2)[C@@H]1CCC[NH2+]C1 ZINC001161331681 815741546 /nfs/dbraw/zinc/74/15/46/815741546.db2.gz FVQRBKQIXWUQJN-SCRDCRAPSA-N 2 0 266.389 -0.462 20 0 CBADRP CCN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)[C@@H]1CCC[NH2+]C1 ZINC001161331438 815741871 /nfs/dbraw/zinc/74/18/71/815741871.db2.gz XORZXZCPZJLATM-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP CCN(C(=O)[C@]1(C)CC[NH2+]C[C@@H]1O)[C@H]1CCC[NH2+]C1 ZINC001161332433 815742514 /nfs/dbraw/zinc/74/25/14/815742514.db2.gz MZOFTHLQRCRVJM-SGMGOOAPSA-N 2 0 269.389 -0.053 20 0 CBADRP CCN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)[C@H]1CCC[NH2+]C1 ZINC001161333607 815743382 /nfs/dbraw/zinc/74/33/82/815743382.db2.gz VIPCCAQDXKXNTG-QWRGUYRKSA-N 2 0 285.392 -0.637 20 0 CBADRP CCN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161337842 815744302 /nfs/dbraw/zinc/74/43/02/815744302.db2.gz AMMBACKICMJWKX-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP CCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161340226 815745520 /nfs/dbraw/zinc/74/55/20/815745520.db2.gz QBRUVBOORTUKNH-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP CCN(C(=O)[C@@H]1C[N@H+](C)CCN1C)[C@H]1CCC[NH2+]C1 ZINC001161339035 815745785 /nfs/dbraw/zinc/74/57/85/815745785.db2.gz HWXUAECADDWJGZ-STQMWFEESA-N 2 0 268.405 -0.167 20 0 CBADRP CCN(C(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161340249 815746422 /nfs/dbraw/zinc/74/64/22/815746422.db2.gz QDWQZMFDZOSNIP-GARJFASQSA-N 2 0 270.377 -0.561 20 0 CBADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)C[C@@H]3COCC[NH2+]3)C2)CC1 ZINC001161381666 815748222 /nfs/dbraw/zinc/74/82/22/815748222.db2.gz YUROKFYXXRQNSI-ZIAGYGMSSA-N 2 0 296.415 -0.611 20 0 CBADRP [NH3+][C@H]1CC[C@@H]1C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161379436 815748411 /nfs/dbraw/zinc/74/84/11/815748411.db2.gz PKPOFKJYQAYDNL-AGIUHOORSA-N 2 0 266.389 -0.252 20 0 CBADRP COc1cc(N(C(=O)[C@@H](N)C[NH3+])C2CC[NH2+]CC2)ccn1 ZINC001161386234 815748501 /nfs/dbraw/zinc/74/85/01/815748501.db2.gz OISUEVFWPOZIIX-LBPRGKRZSA-N 2 0 293.371 -0.539 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161380740 815749177 /nfs/dbraw/zinc/74/91/77/815749177.db2.gz LKASMDNJIISQNQ-OLZOCXBDSA-N 2 0 299.371 -0.800 20 0 CBADRP N[C@@]1(C(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)CCC[NH2+]C1 ZINC001161387974 815750496 /nfs/dbraw/zinc/75/04/96/815750496.db2.gz GUBKUQLIBAQKTA-HIFRSBDPSA-N 2 0 296.415 -0.610 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001161388244 815750621 /nfs/dbraw/zinc/75/06/21/815750621.db2.gz WOLKVLVWVHERLY-LBPRGKRZSA-N 2 0 295.362 -0.018 20 0 CBADRP CN(CCC(=O)NCCC[NH2+]CC(N)=O)c1cc[nH+]cc1 ZINC001161407731 815751863 /nfs/dbraw/zinc/75/18/63/815751863.db2.gz LYUACFYOLZUYSQ-UHFFFAOYSA-N 2 0 293.371 -0.511 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161413865 815752010 /nfs/dbraw/zinc/75/20/10/815752010.db2.gz RLYPXAAPMHWMRJ-ROEYZRMQSA-N 2 0 296.415 -0.328 20 0 CBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)CN3CCCC[C@H]([NH3+])C3=O)C[C@H]12 ZINC001161414334 815752686 /nfs/dbraw/zinc/75/26/86/815752686.db2.gz VCQYMFJEBGHDJJ-RVMXOQNASA-N 2 0 294.399 -0.478 20 0 CBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C[C@H]12 ZINC001161414468 815753250 /nfs/dbraw/zinc/75/32/50/815753250.db2.gz XEYBHXQMMUROGU-GGAZOKNXSA-N 3 0 278.400 -0.619 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC(=O)NC2(CCCC2)C1 ZINC001161417907 815753608 /nfs/dbraw/zinc/75/36/08/815753608.db2.gz YXGCTHDDLSVWOD-NSHDSACASA-N 2 0 292.383 -0.933 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161423698 815754659 /nfs/dbraw/zinc/75/46/59/815754659.db2.gz KLSMCNFFTLUPRV-LOWVWBTDSA-N 2 0 282.388 -0.608 20 0 CBADRP O=C([C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161424062 815754798 /nfs/dbraw/zinc/75/47/98/815754798.db2.gz XTQGALGCUVHSDF-ILXRZTDVSA-N 2 0 292.427 -0.023 20 0 CBADRP C[NH+](C)CCN(C(=O)C1([NH3+])CC1)[C@H]1CCC[NH2+]C1 ZINC001161446832 815755646 /nfs/dbraw/zinc/75/56/46/815755646.db2.gz VFENOWRPVKNNRO-NSHDSACASA-N 3 0 254.378 -0.380 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@]12C[C@@H]1CC[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC001161448249 815755769 /nfs/dbraw/zinc/75/57/69/815755769.db2.gz AFKDNRQHHXJKPZ-GZBFAFLISA-N 3 0 280.416 -0.119 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@H]1CC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161443357 815755809 /nfs/dbraw/zinc/75/58/09/815755809.db2.gz QQWHYFACEYCHBM-NEPJUHHUSA-N 3 0 254.378 -0.510 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161443176 815755816 /nfs/dbraw/zinc/75/58/16/815755816.db2.gz LYGSWYFXKJXWHC-RQJABVFESA-N 3 0 280.416 -0.121 20 0 CBADRP [NH3+][C@H]1CCCCN(CC(=O)N2CC[N@@H+]3CC[C@H]3C2)C1=O ZINC001161424141 815755875 /nfs/dbraw/zinc/75/58/75/815755875.db2.gz ZPTHNGCCGDFAPK-RYUDHWBXSA-N 2 0 280.372 -0.757 20 0 CBADRP [NH3+][C@@H](C(=O)N1CC[N@@H+]2CC[C@@H]2C1)C1CC[NH2+]CC1 ZINC001161424148 815755899 /nfs/dbraw/zinc/75/58/99/815755899.db2.gz ZQXMKGRRDNCSEX-VXGBXAGGSA-N 3 0 252.362 -0.770 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@H]1COCN1)[C@H]1CCC[NH2+]C1 ZINC001161443574 815756154 /nfs/dbraw/zinc/75/61/54/815756154.db2.gz YKRKRCZCGCLAKK-RYUDHWBXSA-N 2 0 270.377 -0.926 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@]1(C)COCCN1)[C@@H]1CCC[NH2+]C1 ZINC001161444659 815756267 /nfs/dbraw/zinc/75/62/67/815756267.db2.gz JRXOPNGBHURWLP-UKRRQHHQSA-N 2 0 298.431 -0.493 20 0 CBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CCCC[NH2+]1)CC2 ZINC001161478119 815758572 /nfs/dbraw/zinc/75/85/72/815758572.db2.gz KSISYPLXZLISBP-YWPYICTPSA-N 2 0 295.383 -0.118 20 0 CBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH3+])CC2 ZINC001161478202 815759013 /nfs/dbraw/zinc/75/90/13/815759013.db2.gz LJBSZEKKRMDKTH-KBVBSXBZSA-N 2 0 255.318 -0.913 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C1CC[NH2+]CC1)CC2 ZINC001161476548 815759059 /nfs/dbraw/zinc/75/90/59/815759059.db2.gz DGTQQJXMCWZQOB-DOMZBBRYSA-N 2 0 295.383 -0.260 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@]1(C)CC[NH2+]C1)CC2 ZINC001161479295 815759131 /nfs/dbraw/zinc/75/91/31/815759131.db2.gz JVFFAYKXVKMUIO-DFBGVHRSSA-N 2 0 295.383 -0.260 20 0 CBADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001161490335 815761072 /nfs/dbraw/zinc/76/10/72/815761072.db2.gz YUBQFDLBWQTMDC-IACUBPJLSA-N 2 0 266.389 -0.475 20 0 CBADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161489488 815761200 /nfs/dbraw/zinc/76/12/00/815761200.db2.gz UAIWLLARHKGPCO-DZGCQCFKSA-N 3 0 297.447 -0.676 20 0 CBADRP C[C@@]1(C[NH3+])CCCN(C(=O)CNC2CC[NH2+]CC2)C1 ZINC001161490209 815761259 /nfs/dbraw/zinc/76/12/59/815761259.db2.gz VNKBFPXSCQXCIP-AWEZNQCLSA-N 2 0 268.405 -0.085 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@]2(C)CC(C)(C)C[NH2+]2)C[C@@H]1[NH3+] ZINC001161492693 815761322 /nfs/dbraw/zinc/76/13/22/815761322.db2.gz VPAVZSYKVNHRGF-CWSCBRNRSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001161489967 815761517 /nfs/dbraw/zinc/76/15/17/815761517.db2.gz SMZYQDBMRHYWFT-AAEUAGOBSA-N 2 0 265.361 -0.133 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2cccc(O)c2)C[C@@H]1[NH3+] ZINC001161491528 815761854 /nfs/dbraw/zinc/76/18/54/815761854.db2.gz FJPZVUPGYYWCFW-FRRDWIJNSA-N 2 0 279.340 -0.554 20 0 CBADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161489528 815761944 /nfs/dbraw/zinc/76/19/44/815761944.db2.gz UOSWICLEQOHPMR-GXTWGEPZSA-N 3 0 268.405 -0.099 20 0 CBADRP CCCC[C@H]([NH2+]C)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161498422 815762667 /nfs/dbraw/zinc/76/26/67/815762667.db2.gz AHJFMCZXZSZFSG-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP C[N@H+](C1CN(C(=O)CNC2CC[NH2+]CC2)C1)[C@H]1CCOC1 ZINC001161498060 815763415 /nfs/dbraw/zinc/76/34/15/815763415.db2.gz HBWFSPDCNFASKS-ZDUSSCGKSA-N 2 0 296.415 -0.741 20 0 CBADRP C[N@H+](C1CN(C(=O)[C@@H]([NH3+])CC(F)F)C1)[C@H]1CCOC1 ZINC001161499033 815763794 /nfs/dbraw/zinc/76/37/94/815763794.db2.gz MVSNVBQXDYZJRU-WPRPVWTQSA-N 2 0 277.315 -0.100 20 0 CBADRP N[C@H](C[NH3+])c1ccc(C(=O)N2C[C@H]([NH3+])C3(COC3)C2)cc1 ZINC001161507278 815764699 /nfs/dbraw/zinc/76/46/99/815764699.db2.gz RTSILXDTIOTKRU-OLZOCXBDSA-N 2 0 290.367 -0.555 20 0 CBADRP CC1(C)C[NH2+][C@@](C)(C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)C1 ZINC001161507916 815764844 /nfs/dbraw/zinc/76/48/44/815764844.db2.gz BXCIWJUONSSJEF-ZWNOBZJWSA-N 2 0 267.373 -0.049 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161510854 815764916 /nfs/dbraw/zinc/76/49/16/815764916.db2.gz TXXBWEBPOFWJBD-QWRGUYRKSA-N 3 0 270.377 -0.981 20 0 CBADRP CC[C@H](C)[C@@H]([NH3+])CC(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161509859 815764949 /nfs/dbraw/zinc/76/49/49/815764949.db2.gz LSHWMDDCNZNNRV-DCAQKATOSA-N 2 0 255.362 -0.064 20 0 CBADRP [NH3+][C@H](Cc1cccc(O)c1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161510319 815764991 /nfs/dbraw/zinc/76/49/91/815764991.db2.gz NBYBWQQGUKYLCK-OLZOCXBDSA-N 2 0 291.351 -0.552 20 0 CBADRP CC[C@@]1(C(=O)N2C[C@H]([NH3+])C3(COC3)C2)CCC[NH2+]C1 ZINC001161510876 815765017 /nfs/dbraw/zinc/76/50/17/815765017.db2.gz UHTXPPFCKFJLEJ-WCQYABFASA-N 2 0 267.373 -0.048 20 0 CBADRP CC1(C)[C@H](C(=O)N2C[C@H]([NH3+])C3(COC3)C2)C[C@@H]1[NH3+] ZINC001161509452 815765085 /nfs/dbraw/zinc/76/50/85/815765085.db2.gz KEDABSQYKJYAOQ-GUBZILKMSA-N 2 0 253.346 -0.454 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161511333 815765975 /nfs/dbraw/zinc/76/59/75/815765975.db2.gz YROFBYFQZONBIX-NWDGAFQWSA-N 3 0 284.404 -0.768 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC12COC2 ZINC001161511115 815766053 /nfs/dbraw/zinc/76/60/53/815766053.db2.gz WQLMZZCSZAFQRC-RYUDHWBXSA-N 3 0 294.399 -0.953 20 0 CBADRP C[NH+]1CC2(CN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)C2)C1 ZINC001161532722 815767797 /nfs/dbraw/zinc/76/77/97/815767797.db2.gz XGATWGMXDHMGJR-LBPRGKRZSA-N 3 0 278.400 -0.365 20 0 CBADRP C[NH+]1CC2(CN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)C2)C1 ZINC001161532720 815767841 /nfs/dbraw/zinc/76/78/41/815767841.db2.gz XGATWGMXDHMGJR-GFCCVEGCSA-N 3 0 278.400 -0.365 20 0 CBADRP CC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001161527066 815768138 /nfs/dbraw/zinc/76/81/38/815768138.db2.gz VRTQMRHSXXLZNO-UWVGGRQHSA-N 2 0 259.375 -0.414 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C2CCC1CC2 ZINC001161604956 815774567 /nfs/dbraw/zinc/77/45/67/815774567.db2.gz SCWAHIMXVNBWPH-WXRRBKDZSA-N 2 0 266.389 -0.110 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161795612 815787948 /nfs/dbraw/zinc/78/79/48/815787948.db2.gz MEIYMXZFNATXNE-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP [NH3+]C1CCN(CCNc2ncc3c(n2)C[NH2+]C3)CC1 ZINC001161867849 815791610 /nfs/dbraw/zinc/79/16/10/815791610.db2.gz RKYXYHNTIXXRSE-UHFFFAOYSA-N 2 0 262.361 -0.085 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])c1ccc(N2CC[NH2+]CC2)nc1 ZINC001162126877 815805317 /nfs/dbraw/zinc/80/53/17/815805317.db2.gz PFFFWPKAYIIEEX-UHFFFAOYSA-N 2 0 299.400 -0.784 20 0 CBADRP [NH3+]Cc1cn(-c2cnc(O[C@H]3CC[NH2+]C3)nc2)cn1 ZINC001162301954 815811376 /nfs/dbraw/zinc/81/13/76/815811376.db2.gz GKVYRVVONPBZCM-NSHDSACASA-N 2 0 260.301 -0.138 20 0 CBADRP COc1c(C2C[NH2+]C2)ncnc1-n1nccc1C[NH3+] ZINC001162593079 815835440 /nfs/dbraw/zinc/83/54/40/815835440.db2.gz WFZIJJFRGFXKPV-UHFFFAOYSA-N 2 0 260.301 -0.184 20 0 CBADRP [NH3+][C@H]1COC[C@H]1Nc1ccc(O[C@@H]2CCC[NH2+]C2)nn1 ZINC001162919986 815849084 /nfs/dbraw/zinc/84/90/84/815849084.db2.gz NKAQEACLJPBZPT-OUAUKWLOSA-N 2 0 279.344 -0.255 20 0 CBADRP c1nc(NC[C@@]23C[NH2+][C@@H](CO2)C3)nc2c1CC[NH2+]C2 ZINC001163191442 815863603 /nfs/dbraw/zinc/86/36/03/815863603.db2.gz MFULQWMHPBFQFG-ZWNOBZJWSA-N 2 0 261.329 -0.335 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163224326 815866752 /nfs/dbraw/zinc/86/67/52/815866752.db2.gz SWRMEYQIHLUCJK-CQSZACIVSA-N 2 0 296.415 -0.297 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2nccc(C3C[NH2+]C3)n2)N1 ZINC001163240408 815871375 /nfs/dbraw/zinc/87/13/75/815871375.db2.gz JWTIUPVRSRALGP-ZWNOBZJWSA-N 2 0 274.328 -0.847 20 0 CBADRP O=C(NCCC[NH2+]CCO)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163243429 815872106 /nfs/dbraw/zinc/87/21/06/815872106.db2.gz YWVIXNORYGXBTA-ZDUSSCGKSA-N 2 0 269.389 -0.051 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cnc3c(c2)C[NH2+]CC3)N1 ZINC001163246714 815873044 /nfs/dbraw/zinc/87/30/44/815873044.db2.gz BCEDXUDPNMGDPH-OCCSQVGLSA-N 2 0 273.340 -0.283 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cccnc2OC2C[NH2+]C2)N1 ZINC001163253829 815875009 /nfs/dbraw/zinc/87/50/09/815875009.db2.gz NHTGTAWFVZMBAE-BXUZGUMPSA-N 2 0 289.339 -0.578 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc(OC3C[NH2+]C3)cn2)N1 ZINC001163254086 815875682 /nfs/dbraw/zinc/87/56/82/815875682.db2.gz OXQLTYBAAVUSMN-SMDDNHRTSA-N 2 0 289.339 -0.578 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])Nc1ncnc2c1CC[NH2+]C2 ZINC001163438388 815885699 /nfs/dbraw/zinc/88/56/99/815885699.db2.gz IZYUCDWNHKWEMV-NSHDSACASA-N 2 0 292.387 -0.222 20 0 CBADRP C[C@@H](CC[NH+](C)C)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC001296072498 816599727 /nfs/dbraw/zinc/59/97/27/816599727.db2.gz JRVXNYBJZKEEKC-AAEUAGOBSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@H](CC[NH+](C)C)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001300147629 816737633 /nfs/dbraw/zinc/73/76/33/816737633.db2.gz HDOGWRQHDISORA-FRRDWIJNSA-N 2 0 269.389 -0.148 20 0 CBADRP C[C@@H](Nc1nc(N)[nH+]c(N)n1)[C@@H]1C[N@H+](C)CCN1C ZINC001307214919 816799407 /nfs/dbraw/zinc/79/94/07/816799407.db2.gz YLMVGNGESLLVHX-SFYZADRCSA-N 2 0 266.353 -0.918 20 0 CBADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCCO)C1)C12CC[NH+](CC1)C2 ZINC001316621972 816872705 /nfs/dbraw/zinc/87/27/05/816872705.db2.gz JJKKYPQHPYWKSU-BETUJISGSA-N 2 0 281.400 -0.051 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001316636661 816873454 /nfs/dbraw/zinc/87/34/54/816873454.db2.gz QGLDEAKMKHGQHT-DCAQKATOSA-N 2 0 266.345 -0.183 20 0 CBADRP CNC(=O)C[N@H+](C)CCCNC(=O)C[NH+](C)C(C)C ZINC001316869248 816898226 /nfs/dbraw/zinc/89/82/26/816898226.db2.gz FWTMLWDDJBXDTR-UHFFFAOYSA-N 2 0 272.393 -0.489 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCO)C1)[NH+](C)C ZINC001317065737 816927314 /nfs/dbraw/zinc/92/73/14/816927314.db2.gz VRUDFASRFSJKBH-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP COCCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001317092369 816930353 /nfs/dbraw/zinc/93/03/53/816930353.db2.gz FKGPSFSGBVNRMC-IHRRRGAJSA-N 2 0 299.415 -0.162 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)CC1 ZINC001317115917 816934508 /nfs/dbraw/zinc/93/45/08/816934508.db2.gz DVNPMVBVZKSSRZ-PHIMTYICSA-N 2 0 255.362 -0.443 20 0 CBADRP COCC[NH2+][C@H]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001317122127 816934572 /nfs/dbraw/zinc/93/45/72/816934572.db2.gz FXBZDTNOXQHUBK-BETUJISGSA-N 2 0 299.415 -0.020 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CCO)C2)C1 ZINC001317161152 816937008 /nfs/dbraw/zinc/93/70/08/816937008.db2.gz AIAZCGSPTCEJOO-QWHCGFSZSA-N 2 0 269.389 -0.241 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCO)C1 ZINC001317200144 816940663 /nfs/dbraw/zinc/94/06/63/816940663.db2.gz OVAVFJIWLXWVGQ-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP CCCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317588413 817024785 /nfs/dbraw/zinc/02/47/85/817024785.db2.gz GXRNBZHBKHMXEI-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001317598937 817025554 /nfs/dbraw/zinc/02/55/54/817025554.db2.gz MQGHKQQMRRKTDN-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H](O)C[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317652741 817040354 /nfs/dbraw/zinc/04/03/54/817040354.db2.gz CNXSITRJOGDQSV-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCOCCO)C1 ZINC001318105482 817075539 /nfs/dbraw/zinc/07/55/39/817075539.db2.gz AHCVQKMBSFHXER-CYBMUJFWSA-N 2 0 285.388 -0.863 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CCCO)C2)CC1 ZINC001318272920 817093046 /nfs/dbraw/zinc/09/30/46/817093046.db2.gz GLUWCNOLZFHYID-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001318507357 817117318 /nfs/dbraw/zinc/11/73/18/817117318.db2.gz QNCUUILDYVTJML-ZJUUUORDSA-N 2 0 256.350 -0.950 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H](C)C(N)=O ZINC001319237729 817179264 /nfs/dbraw/zinc/17/92/64/817179264.db2.gz HBHBHWZYADWODF-UWVGGRQHSA-N 2 0 258.366 -0.846 20 0 CBADRP C[C@@H](C[NH2+]CCO)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319461627 817207728 /nfs/dbraw/zinc/20/77/28/817207728.db2.gz UMKCMNKKZOVNGE-QJPTWQEYSA-N 2 0 257.378 -0.245 20 0 CBADRP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCO ZINC001319956962 817260049 /nfs/dbraw/zinc/26/00/49/817260049.db2.gz HAYIPCDGOIDZRT-RYUDHWBXSA-N 2 0 257.378 -0.339 20 0 CBADRP CCN(CC[NH2+]CC(=O)NC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001320811745 817398167 /nfs/dbraw/zinc/39/81/67/817398167.db2.gz RLQZPDNNTPRUNF-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C1CCN(C=O)CC1 ZINC001320880266 817407041 /nfs/dbraw/zinc/40/70/41/817407041.db2.gz NREUOGWKGBJBSM-CYBMUJFWSA-N 2 0 268.405 -0.167 20 0 CBADRP COCC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001320998072 817426072 /nfs/dbraw/zinc/42/60/72/817426072.db2.gz MRMJIJANQIIPID-VSQXVHSFSA-N 2 0 255.362 -0.011 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)C(N)=O ZINC001321083134 817438688 /nfs/dbraw/zinc/43/86/88/817438688.db2.gz HEDGQVVJJNZSBA-QITAHTHBSA-N 2 0 296.415 -0.003 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001321248309 817468088 /nfs/dbraw/zinc/46/80/88/817468088.db2.gz AUVNNCMFEVTWFW-DRHCNIFCSA-N 2 0 296.415 -0.275 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001321248307 817468834 /nfs/dbraw/zinc/46/88/34/817468834.db2.gz AUVNNCMFEVTWFW-CIUCYMIDSA-N 2 0 296.415 -0.275 20 0 CBADRP CC(C)[C@H](C(=O)NC/C=C/C[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001321349729 817487424 /nfs/dbraw/zinc/48/74/24/817487424.db2.gz KZNDDUYWWQAURQ-FNSAGKMKSA-N 2 0 284.404 -0.292 20 0 CBADRP CC(C)(C(=O)NCCC[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001163832676 819855682 /nfs/dbraw/zinc/85/56/82/819855682.db2.gz FBVYIVYUAOSRAE-UHFFFAOYSA-N 2 0 270.377 -0.558 20 0 CBADRP [NH3+]CCN(CCO)c1ccc2c([C@@H]3CCC[NH2+]3)nnn2c1 ZINC001163831497 819855709 /nfs/dbraw/zinc/85/57/09/819855709.db2.gz CHASQQXDRRSOMS-LBPRGKRZSA-N 2 0 290.371 -0.089 20 0 CBADRP CC(C)(C(=O)NCCC[NH2+][C@H]1CCNC1=O)[NH+]1CCCC1 ZINC001163832718 819856790 /nfs/dbraw/zinc/85/67/90/819856790.db2.gz GIGOVMXQZVJZKW-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP [NH3+][C@@H]1CCN(c2ccnc(N3CCC([NH3+])CC3)n2)C1 ZINC001164279135 819896927 /nfs/dbraw/zinc/89/69/27/819896927.db2.gz NNEAINUEYMESPY-LLVKDONJSA-N 2 0 262.361 -0.059 20 0 CBADRP C[C@H]([NH3+])c1ccc(N(C)S(=O)(=O)CC[NH3+])cn1 ZINC001164300693 819906502 /nfs/dbraw/zinc/90/65/02/819906502.db2.gz VJTROWIJWJEUBZ-QMMMGPOBSA-N 2 0 258.347 -0.174 20 0 CBADRP CC(C)[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@H](C)O)C1 ZINC001164538300 819922409 /nfs/dbraw/zinc/92/24/09/819922409.db2.gz CPCPQQGCMKGDHM-STQMWFEESA-N 2 0 287.404 -0.428 20 0 CBADRP C[NH+]1CCN(c2ccc(N3C[C@@H](F)[C@@H]([NH3+])C3)nn2)CC1 ZINC001165120600 819940456 /nfs/dbraw/zinc/94/04/56/819940456.db2.gz QEKCEJGUHDSEPO-MNOVXSKESA-N 2 0 280.351 -0.286 20 0 CBADRP C[N@H+](C1CN(c2ncc3c(n2)C[NH2+]C3)C1)[C@@H]1CCOC1 ZINC001165205866 819943635 /nfs/dbraw/zinc/94/36/35/819943635.db2.gz VMTWJLJFNQXGQE-LLVKDONJSA-N 2 0 275.356 -0.011 20 0 CBADRP c1nn(-c2cc3c(nn2)CC[NH2+]C3)c2c1C[NH2+]CC2 ZINC001165220571 819943672 /nfs/dbraw/zinc/94/36/72/819943672.db2.gz SATCMCLHFDQOPW-UHFFFAOYSA-N 2 0 256.313 -0.046 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165254642 819944581 /nfs/dbraw/zinc/94/45/81/819944581.db2.gz RSIMTZUPLOQWFA-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP c1nc(C2C[NH2+]C2)cc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)n1 ZINC001165275400 819946906 /nfs/dbraw/zinc/94/69/06/819946906.db2.gz OZMSQFJVGHJVTK-AAEUAGOBSA-N 2 0 275.356 -0.270 20 0 CBADRP c1nc(N2CCOCC23C[NH2+]C3)nc2c1C[NH2+]CC2 ZINC001165287635 819949765 /nfs/dbraw/zinc/94/97/65/819949765.db2.gz IQZOZBQAKIZKSI-UHFFFAOYSA-N 2 0 261.329 -0.699 20 0 CBADRP O=C1NCCN(c2[nH+]ccc3[nH]ccc32)C12C[NH2+]C2 ZINC001165298518 819953300 /nfs/dbraw/zinc/95/33/00/819953300.db2.gz XESDVJLOGDUNKC-UHFFFAOYSA-N 2 0 257.297 -0.159 20 0 CBADRP c1ncc(N2CCC[C@@H]3[NH2+]C[C@@H]32)nc1N1CC[NH2+]CC1 ZINC001165390164 819960338 /nfs/dbraw/zinc/96/03/38/819960338.db2.gz CXDMGIRFGKLKSR-RYUDHWBXSA-N 2 0 274.372 -0.173 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCN1c1ccc2c(n1)CC[NH2+]C2 ZINC001165437906 819961559 /nfs/dbraw/zinc/96/15/59/819961559.db2.gz UYKWRIHGTKIDGR-GFCCVEGCSA-N 2 0 276.340 -0.322 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCN1c1ncnc2c1CC[NH2+]C2 ZINC001165436905 819961917 /nfs/dbraw/zinc/96/19/17/819961917.db2.gz MHZYMINLJKHRTB-LLVKDONJSA-N 2 0 277.328 -0.927 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NCCC1(C[NH2+]CC(N)=O)CC1)C1CC1 ZINC001165484368 819968330 /nfs/dbraw/zinc/96/83/30/819968330.db2.gz CSVZIIJONUTLSE-CYBMUJFWSA-N 2 0 296.415 -0.312 20 0 CBADRP Cn1nncc1C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165772321 819981579 /nfs/dbraw/zinc/98/15/79/819981579.db2.gz MYNIODMHUMPIOO-UHFFFAOYSA-N 2 0 294.403 -0.247 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001165764365 819981627 /nfs/dbraw/zinc/98/16/27/819981627.db2.gz POLAKFNWEOWWNX-GFCCVEGCSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001165776246 819982029 /nfs/dbraw/zinc/98/20/29/819982029.db2.gz FFBZWVRVAHOFLL-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CN1CC[C@@H]([NH2+]CCCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001165775899 819982218 /nfs/dbraw/zinc/98/22/18/819982218.db2.gz BSYCGKMIDOBPSO-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001165777803 819983285 /nfs/dbraw/zinc/98/32/85/819983285.db2.gz YBZHNYMZMFUHSF-JTQLQIEISA-N 2 0 270.377 -0.702 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)CC[NH+](C)C)C(N)=O ZINC001165781027 819983402 /nfs/dbraw/zinc/98/34/02/819983402.db2.gz CRQSFOOZJUMOBB-JTQLQIEISA-N 2 0 258.366 -0.702 20 0 CBADRP Cn1ncnc1C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165793850 819983527 /nfs/dbraw/zinc/98/35/27/819983527.db2.gz CWGNRZIFESULSX-UHFFFAOYSA-N 2 0 268.365 -0.637 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165781094 819983568 /nfs/dbraw/zinc/98/35/68/819983568.db2.gz FSTDNEQMDHRFME-NSHDSACASA-N 2 0 261.366 -0.959 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001165788785 819983718 /nfs/dbraw/zinc/98/37/18/819983718.db2.gz UVOLYDOBHIQVRY-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001165794017 819983761 /nfs/dbraw/zinc/98/37/61/819983761.db2.gz HNEHMIANXRYNGU-UHFFFAOYSA-N 2 0 270.377 -0.687 20 0 CBADRP Cn1ccc(C[NH2+]CCCNC(=O)CC[NH+](C)C)cc1=O ZINC001165794242 819983789 /nfs/dbraw/zinc/98/37/89/819983789.db2.gz OITIUCGWWDBDPV-UHFFFAOYSA-N 2 0 294.399 -0.067 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001165781604 819983795 /nfs/dbraw/zinc/98/37/95/819983795.db2.gz VRQULNGTUJLCAO-LBPRGKRZSA-N 2 0 294.403 -0.187 20 0 CBADRP Cn1cc(C[NH2+]CCCNC(=O)CC[NH+](C)C)cn1 ZINC001165794448 819983925 /nfs/dbraw/zinc/98/39/25/819983925.db2.gz WIJOSMZAWIOHGY-UHFFFAOYSA-N 2 0 267.377 -0.032 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001165781628 819983954 /nfs/dbraw/zinc/98/39/54/819983954.db2.gz WHDUJKFMSSHKGZ-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP CCn1nncc1C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165794282 819984122 /nfs/dbraw/zinc/98/41/22/819984122.db2.gz QFHIHHXJJYBREK-UHFFFAOYSA-N 2 0 282.392 -0.154 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166010246 819989565 /nfs/dbraw/zinc/98/95/65/819989565.db2.gz MMDVGUKGHRMADH-CHWSQXEVSA-N 2 0 289.420 -0.324 20 0 CBADRP CC(C)[C@H](C(=O)NCCC[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001166010912 819990055 /nfs/dbraw/zinc/99/00/55/819990055.db2.gz VGGHJGRSQZUZER-CYBMUJFWSA-N 2 0 296.419 -0.003 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C)C(N)=O ZINC001166626637 820008932 /nfs/dbraw/zinc/00/89/32/820008932.db2.gz IIHLMDGGQTZEEQ-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CCn1cncn1 ZINC001166627454 820010184 /nfs/dbraw/zinc/01/01/84/820010184.db2.gz VYPKIRVKTWJZSG-ZDUSSCGKSA-N 2 0 294.403 -0.142 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C)C(N)=O ZINC001166626163 820010881 /nfs/dbraw/zinc/01/08/81/820010881.db2.gz BVDLXVPFDQPSND-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(N)=O ZINC001166676646 820014308 /nfs/dbraw/zinc/01/43/08/820014308.db2.gz AJUDTIDPJQPVPF-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]Cc2cn(C)nn2)C1 ZINC001166677326 820014463 /nfs/dbraw/zinc/01/44/63/820014463.db2.gz HSFNGBCLHREKHL-LBPRGKRZSA-N 2 0 294.403 -0.247 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001166694018 820015718 /nfs/dbraw/zinc/01/57/18/820015718.db2.gz UNHMXORFNSQKJM-WCQYABFASA-N 2 0 294.403 -0.391 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166694025 820016882 /nfs/dbraw/zinc/01/68/82/820016882.db2.gz UUCZZXJBZVLHPS-GHMZBOCLSA-N 2 0 270.377 -0.974 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001166708668 820019975 /nfs/dbraw/zinc/01/99/75/820019975.db2.gz VXGRULXDCHNNSC-DGCLKSJQSA-N 2 0 296.415 -0.441 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)[NH+](C)C ZINC001166858134 820041390 /nfs/dbraw/zinc/04/13/90/820041390.db2.gz NLDALHMBIOYZOX-NSHDSACASA-N 2 0 293.433 -0.533 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1nnnn1C)[NH+](C)C ZINC001166858458 820042306 /nfs/dbraw/zinc/04/23/06/820042306.db2.gz VATASYOLHFRGIS-QWRGUYRKSA-N 2 0 297.407 -0.293 20 0 CBADRP C[C@@H](COCC(=O)NCCC[NH2+]CCO)[NH+]1CCCC1 ZINC001166924020 820045307 /nfs/dbraw/zinc/04/53/07/820045307.db2.gz GHAFSCLFBCFWFX-ZDUSSCGKSA-N 2 0 287.404 -0.425 20 0 CBADRP COC(=O)C1(Nc2ncc3c(n2)C[NH2+]CC3)CC[NH2+]CC1 ZINC001166922496 820045836 /nfs/dbraw/zinc/04/58/36/820045836.db2.gz AYWAMUCQJROESB-UHFFFAOYSA-N 2 0 291.355 -0.171 20 0 CBADRP [NH3+][C@@H]1CN(c2cncc(N3CC[NH2+]CC3)n2)C[C@@H]1F ZINC001166930342 820047004 /nfs/dbraw/zinc/04/70/04/820047004.db2.gz TWFSUXYIJZADSD-VHSXEESVSA-N 2 0 266.324 -0.628 20 0 CBADRP COC(=O)C1(Nc2nccc(C3C[NH2+]C3)n2)CC[NH2+]CC1 ZINC001166947539 820049652 /nfs/dbraw/zinc/04/96/52/820049652.db2.gz MIEDQBXJBPOMKZ-UHFFFAOYSA-N 2 0 291.355 -0.130 20 0 CBADRP CCNC(=O)C[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166971033 820058391 /nfs/dbraw/zinc/05/83/91/820058391.db2.gz DFBZSCRGAJXQGV-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP CN(c1ncccc1C(=O)N1CC[NH2+]CC1)C1C[NH2+]C1 ZINC001166977911 820060501 /nfs/dbraw/zinc/06/05/01/820060501.db2.gz DCAUBUCKNKPGEJ-UHFFFAOYSA-N 2 0 275.356 -0.465 20 0 CBADRP C[C@H](C(=O)NCCC[NH2+]CC(N)=O)[NH+]1CCCCCC1 ZINC001167610595 820108609 /nfs/dbraw/zinc/10/86/09/820108609.db2.gz UIQOUWVBTAAQJZ-GFCCVEGCSA-N 2 0 284.404 -0.168 20 0 CBADRP N=c1cc(C[NH3+])ccn1-c1nccc(C2C[NH2+]C2)n1 ZINC001167691992 820112177 /nfs/dbraw/zinc/11/21/77/820112177.db2.gz BXQIPVCYHOBFSA-UHFFFAOYSA-N 2 0 256.313 -0.108 20 0 CBADRP [NH3+]CCc1ccn(-c2nccc(N3CC[NH2+]CC3)n2)n1 ZINC001167726314 820113526 /nfs/dbraw/zinc/11/35/26/820113526.db2.gz BKAUHSBIUQFANK-UHFFFAOYSA-N 2 0 273.344 -0.427 20 0 CBADRP [NH3+]CCc1nnn(-c2ccc([C@@H]3CCC[NH2+]3)cn2)n1 ZINC001167788213 820115832 /nfs/dbraw/zinc/11/58/32/820115832.db2.gz SQCWBNJSHQLNQY-JTQLQIEISA-N 2 0 259.317 -0.017 20 0 CBADRP [NH3+]CCc1nnn(-c2cccc(CN3CC[C@@H]([NH3+])C3)c2)n1 ZINC001167792195 820120494 /nfs/dbraw/zinc/12/04/94/820120494.db2.gz ZTRJTAJZSGAMSI-GFCCVEGCSA-N 2 0 287.371 -0.304 20 0 CBADRP NC(=O)c1cnc(NC(=[NH2+])NCCCC[NH3+])cn1 ZINC001167878766 820124885 /nfs/dbraw/zinc/12/48/85/820124885.db2.gz CZDNWLCWMGITDJ-UHFFFAOYSA-N 2 0 251.294 -0.749 20 0 CBADRP COCCn1cc(NC(=[NH2+])NCCCC[NH3+])ncc1=O ZINC001167884694 820125036 /nfs/dbraw/zinc/12/50/36/820125036.db2.gz ZTWWQCQUSQDWBV-UHFFFAOYSA-N 2 0 282.348 -0.435 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CCOCCO ZINC001168756423 820176867 /nfs/dbraw/zinc/17/68/67/820176867.db2.gz YMKBOBINFQCPNB-UHFFFAOYSA-N 2 0 275.393 -0.567 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168023151 820138757 /nfs/dbraw/zinc/13/87/57/820138757.db2.gz UTAOOQKJXILBQD-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H](O)C[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168052442 820143947 /nfs/dbraw/zinc/14/39/47/820143947.db2.gz QVOYENZGIBFZTA-LBPRGKRZSA-N 2 0 297.403 -0.465 20 0 CBADRP C[C@@H]([NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001168139280 820146009 /nfs/dbraw/zinc/14/60/09/820146009.db2.gz ZLFJERQWSXLASQ-VXGBXAGGSA-N 2 0 296.415 -0.312 20 0 CBADRP COc1c(C2C[NH2+]C2)ncnc1-n1cc(C[NH3+])cn1 ZINC001168258370 820153202 /nfs/dbraw/zinc/15/32/02/820153202.db2.gz QGHVGLDHWCRYMG-UHFFFAOYSA-N 2 0 260.301 -0.184 20 0 CBADRP C[NH+](C)C1CCC([NH2+]C[C@H]2CNC(=O)CO2)CC1 ZINC001168298528 820155556 /nfs/dbraw/zinc/15/55/56/820155556.db2.gz ZNFGEDJGJHLTHU-MCIGGMRASA-N 2 0 255.362 -0.036 20 0 CBADRP NC(=[NH2+])c1nccn1-c1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001168416639 820160136 /nfs/dbraw/zinc/16/01/36/820160136.db2.gz ZFNKDYLVTHHHQS-SECBINFHSA-N 2 0 273.300 -0.313 20 0 CBADRP C[NH+](C)Cc1ccc(C(=O)NCCC[NH2+]CC(N)=O)cc1 ZINC001168433910 820162224 /nfs/dbraw/zinc/16/22/24/820162224.db2.gz KCYVZJZHRIMBAU-UHFFFAOYSA-N 2 0 292.383 -0.057 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001168754795 820173911 /nfs/dbraw/zinc/17/39/11/820173911.db2.gz BVOBOLLMLMLITM-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001168754822 820174495 /nfs/dbraw/zinc/17/44/95/820174495.db2.gz CDZFANUTRHQOLB-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP [NH3+]Cc1nnnn1-c1cncc(OCC[NH+]2CCCC2)n1 ZINC001168918630 820191230 /nfs/dbraw/zinc/19/12/30/820191230.db2.gz IBJYLKDCWYFXMT-UHFFFAOYSA-N 2 0 290.331 -0.614 20 0 CBADRP COC(=O)[C@H](C[NH3+])Cc1ccc(-n2nnnc2C[NH3+])cc1 ZINC001168924596 820195214 /nfs/dbraw/zinc/19/52/14/820195214.db2.gz NWMCCNDWAWTKSO-JTQLQIEISA-N 2 0 290.327 -0.589 20 0 CBADRP C[C@H]1CN(c2ccc(-n3cc(CC[NH3+])cn3)nn2)CC[NH2+]1 ZINC001168949284 820195840 /nfs/dbraw/zinc/19/58/40/820195840.db2.gz YDSGBIMLUHVUGF-NSHDSACASA-N 2 0 287.371 -0.038 20 0 CBADRP Cc1nc(CC[NH3+])nn1-c1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001168987554 820198563 /nfs/dbraw/zinc/19/85/63/820198563.db2.gz RCCMYCHPAUNSON-LLVKDONJSA-N 2 0 289.343 -0.392 20 0 CBADRP Cc1nc(CC[NH3+])nn1-c1ncc2c(n1)C[NH2+]CC2 ZINC001168982134 820198795 /nfs/dbraw/zinc/19/87/95/820198795.db2.gz DBIJSZSYLHCGGX-UHFFFAOYSA-N 2 0 259.317 -0.487 20 0 CBADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N(CC[NH3+])S(C)(=O)=O)C2 ZINC001169081631 820206453 /nfs/dbraw/zinc/20/64/53/820206453.db2.gz USKCQNSUCGPNCI-URLYPYJESA-N 2 0 261.391 -0.168 20 0 CBADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C2 ZINC001169109476 820209252 /nfs/dbraw/zinc/20/92/52/820209252.db2.gz IZIXYQFJPFSEHD-ZSBIGDGJSA-N 3 0 286.380 -0.251 20 0 CBADRP [NH3+]Cc1cnnn1-c1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001169310513 820226248 /nfs/dbraw/zinc/22/62/48/820226248.db2.gz ZNDARGHLRNCMEJ-SNVBAGLBSA-N 2 0 261.289 -0.743 20 0 CBADRP [NH3+]Cc1cnnn1-c1ccnc(N2CCC([NH3+])CC2)n1 ZINC001169307687 820226593 /nfs/dbraw/zinc/22/65/93/820226593.db2.gz AHKVKWNAZJPMSM-UHFFFAOYSA-N 2 0 274.332 -0.557 20 0 CBADRP [NH3+]Cc1cnnn1-c1c[nH+]ccc1N1CCOCC1 ZINC001169309652 820226967 /nfs/dbraw/zinc/22/69/67/820226967.db2.gz HOTGGUSXTKZVGC-UHFFFAOYSA-N 2 0 260.301 -0.042 20 0 CBADRP [NH3+]Cc1cnnn1-c1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC001169312255 820228563 /nfs/dbraw/zinc/22/85/63/820228563.db2.gz UOHTVICVISCTMB-UHFFFAOYSA-N 2 0 286.339 -0.229 20 0 CBADRP CC(=O)N1CC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC001169501702 820248892 /nfs/dbraw/zinc/24/88/92/820248892.db2.gz CGFPGPIDBALZQM-AWEZNQCLSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H](O)C[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169531138 820252301 /nfs/dbraw/zinc/25/23/01/820252301.db2.gz LNGQSCYSBHZFSH-LBPRGKRZSA-N 2 0 287.404 -0.426 20 0 CBADRP CC(=O)N1CCC[C@@H]([NH2+]CCC[N@H+](C)CCO)C1 ZINC001169594134 820260216 /nfs/dbraw/zinc/26/02/16/820260216.db2.gz KQPVJFIHHCLSSH-CYBMUJFWSA-N 2 0 257.378 -0.099 20 0 CBADRP c1cc(NC[C@H]2COCC[NH2+]2)nc(N2CC[NH2+]CC2)n1 ZINC001170032490 820274415 /nfs/dbraw/zinc/27/44/15/820274415.db2.gz MPCADXMHURCMTM-NSHDSACASA-N 2 0 278.360 -0.714 20 0 CBADRP c1cc(N2CC[NH2+]CC2)nc(NC[C@@H]2COCC[NH2+]2)n1 ZINC001170032604 820274917 /nfs/dbraw/zinc/27/49/17/820274917.db2.gz NHXMJWQFJPCFNO-LLVKDONJSA-N 2 0 278.360 -0.714 20 0 CBADRP CS(=O)(=O)c1cncc(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001170900412 820334324 /nfs/dbraw/zinc/33/43/24/820334324.db2.gz TYRRJJRXWPKPIT-SNVBAGLBSA-N 2 0 258.347 -0.079 20 0 CBADRP Cn1ncc(Br)c(N[C@H]([NH3+])CCC[NH3+])c1=O ZINC001170900895 820334938 /nfs/dbraw/zinc/33/49/38/820334938.db2.gz RCKNZAYABWRUHZ-ZETCQYMHSA-N 2 0 290.165 -0.022 20 0 CBADRP Cn1c([NH2+]CCOCCOCC[NH3+])cccc1=O ZINC001170511436 820296915 /nfs/dbraw/zinc/29/69/15/820296915.db2.gz UBPPPRBDMUMISN-UHFFFAOYSA-N 2 0 255.318 -0.211 20 0 CBADRP C[C@H](Nc1ncc2c(n1)C[NH2+]CC2)[C@H]1C[NH2+]CCO1 ZINC001170566151 820306416 /nfs/dbraw/zinc/30/64/16/820306416.db2.gz XIEVDCIJMRTKFB-JOYOIKCWSA-N 2 0 263.345 -0.089 20 0 CBADRP C[C@@H](Nc1nccnc1N1CC[NH2+]CC1)[C@H]1C[NH2+]CCO1 ZINC001170558031 820306775 /nfs/dbraw/zinc/30/67/75/820306775.db2.gz KEGAOWNEGIZQIR-VXGBXAGGSA-N 2 0 292.387 -0.325 20 0 CBADRP CSc1nc(N[C@H]2C[NH2+]C[C@H]2CO)cc(C2C[NH2+]C2)n1 ZINC001170772206 820315896 /nfs/dbraw/zinc/31/58/96/820315896.db2.gz BNIRNFOUANRADC-ONGXEEELSA-N 2 0 295.412 -0.123 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@H]1Nc1cc(N2CCOCC2)cc[nH+]1 ZINC001170772419 820316483 /nfs/dbraw/zinc/31/64/83/820316483.db2.gz CIXMSRBINSIIJN-WCQYABFASA-N 2 0 278.356 -0.090 20 0 CBADRP Cc1nc(N[C@@H]2C[NH2+]C[C@@H]2CO)cc(N2CCOCC2)[nH+]1 ZINC001170773304 820316750 /nfs/dbraw/zinc/31/67/50/820316750.db2.gz MDLABQSKMYGRTL-VXGBXAGGSA-N 2 0 293.371 -0.386 20 0 CBADRP OC[C@H]1C[NH2+]C[C@@H]1Nc1ccc2c(n1)OCC[NH2+]C2 ZINC001170772708 820316814 /nfs/dbraw/zinc/31/68/14/820316814.db2.gz DJLNBYJZBNIFRM-MNOVXSKESA-N 2 0 264.329 -0.444 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@@H]1Nc1ncccc1N1CC[NH2+]CC1 ZINC001170772370 820316846 /nfs/dbraw/zinc/31/68/46/820316846.db2.gz CFHHNABWRKTDQQ-RYUDHWBXSA-N 2 0 277.372 -0.517 20 0 CBADRP COC(OC)c1c(C[NH3+])ccnc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170773628 820318362 /nfs/dbraw/zinc/31/83/62/820318362.db2.gz IEKVLASBJIYPLK-WDEREUQCSA-N 2 0 296.371 -0.176 20 0 CBADRP [NH3+]C1CCN(c2cncc(N[C@H]3C[NH2+]C[C@H]3CO)n2)CC1 ZINC001170776859 820319364 /nfs/dbraw/zinc/31/93/64/820319364.db2.gz PMODETUIXULSRK-JQWIXIFHSA-N 2 0 292.387 -0.604 20 0 CBADRP OC[C@H]1C[NH2+]C[C@H]1Nc1ccc(N2CC[NH2+]CC2)nc1 ZINC001170777890 820320429 /nfs/dbraw/zinc/32/04/29/820320429.db2.gz FPQUBTBOGUHRJI-DGCLKSJQSA-N 2 0 277.372 -0.517 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@@H]1Nc1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001170780234 820321595 /nfs/dbraw/zinc/32/15/95/820321595.db2.gz LUAKKYGWAAOTIC-DLOVCJGASA-N 2 0 279.344 -0.791 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@@H]1Nc1cccnc1OC1C[NH2+]C1 ZINC001170780413 820321644 /nfs/dbraw/zinc/32/16/44/820321644.db2.gz GRZJBADWDJQTMF-CABZTGNLSA-N 2 0 264.329 -0.576 20 0 CBADRP OC[C@H]1C[NH2+]C[C@H]1Nc1ccc(OC2C[NH2+]C2)cn1 ZINC001170780376 820322102 /nfs/dbraw/zinc/32/21/02/820322102.db2.gz GENDBMYOXVTVHO-BXKDBHETSA-N 2 0 264.329 -0.576 20 0 CBADRP OC[C@H]1C[NH2+]C[C@@H]1Nc1c[nH+]ccc1N1CCOCC1 ZINC001170782296 820323593 /nfs/dbraw/zinc/32/35/93/820323593.db2.gz UTGZFWZDGCDFCF-NEPJUHHUSA-N 2 0 278.356 -0.090 20 0 CBADRP OC[C@H]1C[NH2+]C[C@H]1Nc1c[nH+]ccc1N1CCOCC1 ZINC001170782299 820324004 /nfs/dbraw/zinc/32/40/04/820324004.db2.gz UTGZFWZDGCDFCF-VXGBXAGGSA-N 2 0 278.356 -0.090 20 0 CBADRP CC[C@@]([NH3+])(CO)Nc1ccnc(N2CC[NH2+]CC2)n1 ZINC001170855177 820328154 /nfs/dbraw/zinc/32/81/54/820328154.db2.gz OVDNZJPVVYSEAZ-LBPRGKRZSA-N 2 0 266.349 -0.645 20 0 CBADRP CC[C@@]([NH3+])(CO)Nc1ccc(N2CC[NH2+][C@@H](C)C2)nn1 ZINC001170856783 820329324 /nfs/dbraw/zinc/32/93/24/820329324.db2.gz AITHLKZYICWVNH-GWCFXTLKSA-N 2 0 280.376 -0.256 20 0 CBADRP CC[C@@]([NH3+])(CO)Nc1ncccc1N1CC[NH2+]CC1 ZINC001170859676 820329635 /nfs/dbraw/zinc/32/96/35/820329635.db2.gz QOXFOQFEZNWHDA-ZDUSSCGKSA-N 2 0 265.361 -0.040 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1ncc2c(n1)NC(=O)CO2 ZINC001170897040 820332242 /nfs/dbraw/zinc/33/22/42/820332242.db2.gz KMGHREMIXKFASA-SSDOTTSWSA-N 2 0 252.278 -0.757 20 0 CBADRP COC(=O)c1nc(N[C@@H]([NH3+])CCC[NH3+])cc(C2CC2)n1 ZINC001170897953 820332810 /nfs/dbraw/zinc/33/28/10/820332810.db2.gz RABAWRNNBBHDCE-SNVBAGLBSA-N 2 0 279.344 -0.002 20 0 CBADRP CN1C(=O)Cc2c1ncnc2N[C@H]([NH3+])CCC[NH3+] ZINC001170896537 820332830 /nfs/dbraw/zinc/33/28/30/820332830.db2.gz GNHREDWBBJLPGI-QMMMGPOBSA-N 2 0 250.306 -0.569 20 0 CBADRP CN1CCOc2c1cnnc2N[C@H]([NH3+])CCC[NH3+] ZINC001170895988 820333370 /nfs/dbraw/zinc/33/33/70/820333370.db2.gz BJPVFQLLTVIAAM-VIFPVBQESA-N 2 0 252.322 -0.259 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1cc(CN2CCNC(=O)C2)ccn1 ZINC001170897324 820333448 /nfs/dbraw/zinc/33/34/48/820333448.db2.gz MPZBXJUMNUCWFC-GFCCVEGCSA-N 2 0 292.387 -0.551 20 0 CBADRP C[C@@H]1CN(c2ccc(N[C@@H]([NH3+])CCC[NH3+])nn2)CC[NH2+]1 ZINC001170897098 820333909 /nfs/dbraw/zinc/33/39/09/820333909.db2.gz DBTHOJBGXNNAFL-GHMZBOCLSA-N 3 0 279.392 -0.290 20 0 CBADRP COc1cc(N[C@H]([NH3+])CCC[NH3+])nc([S@](C)=O)n1 ZINC001170899987 820334622 /nfs/dbraw/zinc/33/46/22/820334622.db2.gz ZHHHOUFVKKKLNS-VIIUKITBSA-N 2 0 273.362 -0.342 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001170899157 820334862 /nfs/dbraw/zinc/33/48/62/820334862.db2.gz IAGHUQUTCXMRPR-QWRGUYRKSA-N 3 0 266.349 -0.347 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1cncc(CN2CCOCC2=O)c1 ZINC001170900959 820335190 /nfs/dbraw/zinc/33/51/90/820335190.db2.gz RWCNAOUROYNNSK-CYBMUJFWSA-N 2 0 293.371 -0.124 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(OC2C[NH2+]C2)cn1 ZINC001170906865 820335584 /nfs/dbraw/zinc/33/55/84/820335584.db2.gz YIBQGMRGXJNJCY-NSHDSACASA-N 3 0 251.334 -0.132 20 0 CBADRP Cn1cc(C[NH2+]CCCNC(=O)COCC[NH+](C)C)cn1 ZINC001171204623 820349499 /nfs/dbraw/zinc/34/94/99/820349499.db2.gz DHYYCJYQFLPNSV-UHFFFAOYSA-N 2 0 297.403 -0.406 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171227367 820350102 /nfs/dbraw/zinc/35/01/02/820350102.db2.gz OTAVWKCTRXTDGC-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001171216359 820350235 /nfs/dbraw/zinc/35/02/35/820350235.db2.gz HDCZGNQHQLNYIW-CHWSQXEVSA-N 2 0 296.415 -0.297 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001171217487 820351197 /nfs/dbraw/zinc/35/11/97/820351197.db2.gz NTPQYYAURWVYBB-RYUDHWBXSA-N 2 0 282.388 -0.687 20 0 CBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CCCO ZINC001171215871 820352076 /nfs/dbraw/zinc/35/20/76/820352076.db2.gz DYBSLNVIVSICLS-UHFFFAOYSA-N 2 0 261.366 -0.957 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171227069 820352097 /nfs/dbraw/zinc/35/20/97/820352097.db2.gz MMRWUIFGBWZNDY-STQMWFEESA-N 2 0 287.404 -0.569 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]CCOCCO)C1 ZINC001171228697 820352335 /nfs/dbraw/zinc/35/23/35/820352335.db2.gz UJVIXZDXVMZBSR-CYBMUJFWSA-N 2 0 287.404 -0.567 20 0 CBADRP Cn1cc(C[NH2+]CCCNC(=O)C23CC[NH+](CC2)C3)nn1 ZINC001171310187 820355990 /nfs/dbraw/zinc/35/59/90/820355990.db2.gz GIYYJQSQDBXHIJ-UHFFFAOYSA-N 2 0 292.387 -0.493 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001171303229 820356452 /nfs/dbraw/zinc/35/64/52/820356452.db2.gz BKZXKZJMMPPHQR-JTQLQIEISA-N 2 0 268.361 -0.948 20 0 CBADRP C[C@@H](O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171293771 820357540 /nfs/dbraw/zinc/35/75/40/820357540.db2.gz MCXXGQRXFASCRK-LLVKDONJSA-N 2 0 255.362 -0.441 20 0 CBADRP [NH3+]Cc1nccnc1Nc1ccnc(N2CC[NH2+]CC2)n1 ZINC001171441296 820360311 /nfs/dbraw/zinc/36/03/11/820360311.db2.gz OHWLILJTLWTJNB-UHFFFAOYSA-N 2 0 286.343 -0.122 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171578503 820362082 /nfs/dbraw/zinc/36/20/82/820362082.db2.gz BFBRGBKUQVBUBQ-GFCCVEGCSA-N 2 0 286.420 -0.051 20 0 CBADRP COCCC[NH+]1CCC(NC2(C[NH3+])COC2)CC1 ZINC001172244679 820393901 /nfs/dbraw/zinc/39/39/01/820393901.db2.gz HHTDDBKMLFCUAT-UHFFFAOYSA-N 2 0 257.378 -0.195 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC ZINC001171762992 820370419 /nfs/dbraw/zinc/37/04/19/820370419.db2.gz PKWUCFDGVFVUDO-LLVKDONJSA-N 2 0 272.393 -0.441 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001171762588 820371033 /nfs/dbraw/zinc/37/10/33/820371033.db2.gz HBNCGKVDWZUDQB-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CC(N)=O ZINC001171725179 820371325 /nfs/dbraw/zinc/37/13/25/820371325.db2.gz HHHIJQQCVKVOCV-UHFFFAOYSA-N 2 0 258.366 -0.701 20 0 CBADRP COC(=O)[C@@H](C[NH3+])C[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172003606 820374811 /nfs/dbraw/zinc/37/48/11/820374811.db2.gz ZFAHVHMQRGXSBI-VHSXEESVSA-N 2 0 269.345 -0.523 20 0 CBADRP CCN1CC[C@H]([NH2+]C[C@H](C[NH3+])C(=O)OC)CC1=O ZINC001172026840 820377942 /nfs/dbraw/zinc/37/79/42/820377942.db2.gz QWVCBZHPNPKHPO-UWVGGRQHSA-N 2 0 257.334 -0.665 20 0 CBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NS(=O)(=O)CC[NH3+])C2 ZINC001172100224 820382422 /nfs/dbraw/zinc/38/24/22/820382422.db2.gz BKDMNQXNDGMCEZ-JGPRNRPPSA-N 2 0 261.391 -0.120 20 0 CBADRP CC(C)(C)OC(=O)CN1CCC([NH2+]C[C@@H](O)C[NH3+])CC1 ZINC001172883005 820397977 /nfs/dbraw/zinc/39/79/77/820397977.db2.gz HSBRNOKLIUODLE-LBPRGKRZSA-N 2 0 287.404 -0.298 20 0 CBADRP COc1cccc2c1C[C@@H]([NH2+]C[C@H](O)C[NH3+])CO2 ZINC001173146015 820400751 /nfs/dbraw/zinc/40/07/51/820400751.db2.gz UWSKCISQFVTEQI-NXEZZACHSA-N 2 0 252.314 -0.092 20 0 CBADRP CC[N@@H+]1CC[C@@H](N2CCN(C)C[C@@H]2C(=O)OC)C1 ZINC001173369953 820403042 /nfs/dbraw/zinc/40/30/42/820403042.db2.gz BXQUCTJZJARYIS-VXGBXAGGSA-N 2 0 255.362 -0.130 20 0 CBADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173739595 820410386 /nfs/dbraw/zinc/41/03/86/820410386.db2.gz KDIXYTSIVBHPIR-VWYCJHECSA-N 2 0 282.348 -0.506 20 0 CBADRP C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)Cc1c[nH]cn1 ZINC001175479686 820426228 /nfs/dbraw/zinc/42/62/28/820426228.db2.gz RXVRODUJEVWETK-JTQLQIEISA-N 2 0 281.360 -0.298 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CCN2CCNC2=O)C1 ZINC001176058065 820437646 /nfs/dbraw/zinc/43/76/46/820437646.db2.gz SXSNARCAAISLFJ-LBPRGKRZSA-N 2 0 297.403 -0.941 20 0 CBADRP Cn1ncnc1C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176102372 820439690 /nfs/dbraw/zinc/43/96/90/820439690.db2.gz FBEQZAZNOWSDEI-UHFFFAOYSA-N 2 0 280.376 -0.493 20 0 CBADRP O=C(C[NH+]1CCCC1)NCCC[NH2+]CC(=O)N1CCC1 ZINC001176096494 820440268 /nfs/dbraw/zinc/44/02/68/820440268.db2.gz SKGMHRWYLSMFPT-UHFFFAOYSA-N 2 0 282.388 -0.590 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001176096354 820440701 /nfs/dbraw/zinc/44/07/01/820440701.db2.gz RBPJQHFQOKIJIN-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP O=C(C[NH+]1CCCC1)NCCC[NH2+][C@@H]1CCNC1=O ZINC001176102783 820441104 /nfs/dbraw/zinc/44/11/04/820441104.db2.gz LPIZHNFDDVPMET-LLVKDONJSA-N 2 0 268.361 -0.933 20 0 CBADRP CCCNC(=O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176103244 820441240 /nfs/dbraw/zinc/44/12/40/820441240.db2.gz ULIILSXPNUTEOF-UHFFFAOYSA-N 2 0 284.404 -0.296 20 0 CBADRP CN1CC[C@H]([NH2+]CCCNC(=O)C[NH+]2CCCC2)C1=O ZINC001176110313 820441280 /nfs/dbraw/zinc/44/12/80/820441280.db2.gz KPBOHSUTMKNAPC-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP CCN1CC[C@H]([NH2+]CCCNC(=O)C[NH+]2CCCC2)C1=O ZINC001176110305 820441520 /nfs/dbraw/zinc/44/15/20/820441520.db2.gz KEYCEABBFWGESX-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CCO ZINC001176161383 820442412 /nfs/dbraw/zinc/44/24/12/820442412.db2.gz OURFRJKVGRSAFO-LBPRGKRZSA-N 2 0 273.377 -0.957 20 0 CBADRP C[C@H](O)C[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176160366 820442546 /nfs/dbraw/zinc/44/25/46/820442546.db2.gz CCVVLKTVDMKQMI-STQMWFEESA-N 2 0 287.404 -0.569 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001176884930 820475625 /nfs/dbraw/zinc/47/56/25/820475625.db2.gz WGWHOTOUCDDFAM-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP C[NH+](C)Cc1cccc(C(=O)NCCC[NH2+]CC(N)=O)c1 ZINC001176890074 820476846 /nfs/dbraw/zinc/47/68/46/820476846.db2.gz LVIWMAXYKJOEJK-UHFFFAOYSA-N 2 0 292.383 -0.057 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+][C@H](C)c1nnnn1C ZINC001176972232 820484501 /nfs/dbraw/zinc/48/45/01/820484501.db2.gz RQRRIVZEDJGKPV-LLVKDONJSA-N 2 0 297.407 -0.293 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)C[N@H+](C)C(C)C)C(N)=O ZINC001176975061 820485079 /nfs/dbraw/zinc/48/50/79/820485079.db2.gz JRIBHRXEZFPTTO-LLVKDONJSA-N 2 0 272.393 -0.314 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCO ZINC001176992468 820486564 /nfs/dbraw/zinc/48/65/64/820486564.db2.gz QFCXPTMJBKEEPR-GFCCVEGCSA-N 2 0 257.378 -0.051 20 0 CBADRP Cc1ccnn1CC(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001177052880 820490178 /nfs/dbraw/zinc/49/01/78/820490178.db2.gz PRKNVCXMQMSZPF-UHFFFAOYSA-N 2 0 252.322 -0.348 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CCc1nncn1C ZINC001177432326 820515993 /nfs/dbraw/zinc/51/59/93/820515993.db2.gz FXCJFWKFIJEJHU-UHFFFAOYSA-N 2 0 295.391 -0.188 20 0 CBADRP Cc1nnc(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])[nH]1 ZINC001177440548 820518368 /nfs/dbraw/zinc/51/83/68/820518368.db2.gz AIDVNWVKMLXXCR-UHFFFAOYSA-N 2 0 253.310 -0.883 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC(N)=O ZINC001178045152 820557087 /nfs/dbraw/zinc/55/70/87/820557087.db2.gz DZVYOBVRWOGGAK-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178356177 820576941 /nfs/dbraw/zinc/57/69/41/820576941.db2.gz JABUBTXTZXDPTQ-SDDRHHMPSA-N 2 0 282.388 -0.594 20 0 CBADRP CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)[C@H]1C ZINC001178419025 820580959 /nfs/dbraw/zinc/58/09/59/820580959.db2.gz XYBHYALVVJNXQV-IHRRRGAJSA-N 2 0 299.415 -0.068 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CCN1CCOC1=O ZINC001178787755 820601265 /nfs/dbraw/zinc/60/12/65/820601265.db2.gz KZGYNPFKABZCDU-UHFFFAOYSA-N 2 0 299.375 -0.107 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC([NH2+][C@H]3CCOC3)C2)C1 ZINC001179008745 820613677 /nfs/dbraw/zinc/61/36/77/820613677.db2.gz RBNSJCCMPWMOMM-NEPJUHHUSA-N 2 0 267.373 -0.083 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC([NH2+][C@@H]3CCOC3)C2)C1 ZINC001179008746 820614695 /nfs/dbraw/zinc/61/46/95/820614695.db2.gz RBNSJCCMPWMOMM-NWDGAFQWSA-N 2 0 267.373 -0.083 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C)C(N)=O ZINC001179435771 820626886 /nfs/dbraw/zinc/62/68/86/820626886.db2.gz WASKUQFFNCKZDK-WOPDTQHZSA-N 2 0 284.404 -0.219 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001179472827 820630373 /nfs/dbraw/zinc/63/03/73/820630373.db2.gz ZXQZYIRPTRUQQY-AAEUAGOBSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001179539059 820631514 /nfs/dbraw/zinc/63/15/14/820631514.db2.gz NNRWBJHFXKTDFB-AGIUHOORSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CC(N)=O ZINC001179587127 820635295 /nfs/dbraw/zinc/63/52/95/820635295.db2.gz WIFGLAAZBOBEEB-OLZOCXBDSA-N 2 0 298.431 -0.064 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C ZINC001179852534 820643329 /nfs/dbraw/zinc/64/33/29/820643329.db2.gz UKQWGBXYCAWXOK-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)[C@@H]1C ZINC001179982712 820647212 /nfs/dbraw/zinc/64/72/12/820647212.db2.gz DHYIPQWKFYXSLE-SRVKXCTJSA-N 2 0 284.404 -0.219 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124528 820650732 /nfs/dbraw/zinc/65/07/32/820650732.db2.gz IMVWINJSNSFMFO-SRVKXCTJSA-N 2 0 282.388 -0.737 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001180899474 820739498 /nfs/dbraw/zinc/73/94/98/820739498.db2.gz MGAPCWLYXKDDIS-LALPHHSUSA-N 2 0 296.415 -0.360 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1COCCO1 ZINC001181003304 820748239 /nfs/dbraw/zinc/74/82/39/820748239.db2.gz HJDLLJLHVNJQSW-SNVBAGLBSA-N 2 0 272.349 -0.534 20 0 CBADRP C[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])N1CCCC1=O ZINC001181313011 820775439 /nfs/dbraw/zinc/77/54/39/820775439.db2.gz JWZFHGPITNOGMY-VIFPVBQESA-N 2 0 269.349 -0.542 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001181651266 820807032 /nfs/dbraw/zinc/80/70/32/820807032.db2.gz ABAIZBRPEXSNHV-OLZOCXBDSA-N 2 0 285.388 -0.720 20 0 CBADRP COCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001181653320 820807512 /nfs/dbraw/zinc/80/75/12/820807512.db2.gz XSQAHRBLCKLGTP-NEPJUHHUSA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+]1CCC(O)(C(=O)N2C[C@H]3CCC[N@H+](C)[C@H]3C2)CC1 ZINC001182032774 820854621 /nfs/dbraw/zinc/85/46/21/820854621.db2.gz IWESFODNXYESKG-OLZOCXBDSA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@H]1C(=O)OC[C@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001182087834 820866447 /nfs/dbraw/zinc/86/64/47/820866447.db2.gz NEWXHUIFHJOKMK-HTQZYQBOSA-N 2 0 256.306 -0.744 20 0 CBADRP COCC1(C(=O)N(CCCC[NH3+])C(N)=[NH2+])CCOCC1 ZINC001182434969 820917729 /nfs/dbraw/zinc/91/77/29/820917729.db2.gz DJUBIPWIJCHQSQ-UHFFFAOYSA-N 2 0 286.376 -0.109 20 0 CBADRP COC1(OC)CC(C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001182473827 820922635 /nfs/dbraw/zinc/92/26/35/820922635.db2.gz BMGNTGPVEQAYNN-UHFFFAOYSA-N 2 0 272.349 -0.154 20 0 CBADRP C[C@H]([NH2+]C[C@]1(C)CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001182479426 820924410 /nfs/dbraw/zinc/92/44/10/820924410.db2.gz BMMNRPPNOKOCFY-TYNCELHUSA-N 2 0 298.431 -0.114 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)C1([NH+](C)C)CC1 ZINC001182603003 820929088 /nfs/dbraw/zinc/92/90/88/820929088.db2.gz QIYJTHJGKPXFDQ-UHFFFAOYSA-N 2 0 257.334 -0.569 20 0 CBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C2([NH+](C)C)CC2)O1 ZINC001182602657 820929812 /nfs/dbraw/zinc/92/98/12/820929812.db2.gz HCINGXANQHHSDG-UTUOFQBUSA-N 2 0 285.388 -0.078 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CCNC1=O ZINC001183027638 820967572 /nfs/dbraw/zinc/96/75/72/820967572.db2.gz SZUUYWNMRPPPCD-VIFPVBQESA-N 2 0 269.349 -0.814 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)CCC1 ZINC001183229384 820982938 /nfs/dbraw/zinc/98/29/38/820982938.db2.gz JLICUTOCBWLANK-CYBMUJFWSA-N 2 0 299.415 -0.330 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183266874 820986202 /nfs/dbraw/zinc/98/62/02/820986202.db2.gz HERHTHYQKUCKDF-MGPQQGTHSA-N 2 0 299.415 -0.476 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001183411204 820992435 /nfs/dbraw/zinc/99/24/35/820992435.db2.gz YTEGARKTHGLDHM-LALPHHSUSA-N 2 0 296.415 -0.502 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001183399318 820993010 /nfs/dbraw/zinc/99/30/10/820993010.db2.gz UEFUGVORMDJGBL-IUODEOHRSA-N 2 0 296.415 -0.358 20 0 CBADRP C[NH+](C)CCCCC(=O)NCCN(CC[NH3+])N(O)N=O ZINC001184061146 821052337 /nfs/dbraw/zinc/05/23/37/821052337.db2.gz GHMUUDFNMFSMBQ-UHFFFAOYSA-N 2 0 290.368 -0.617 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001184859195 821088698 /nfs/dbraw/zinc/08/86/98/821088698.db2.gz XVXLSZJCAOVHPQ-QJPTWQEYSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C[NH2+]CC(N)=O ZINC001185032008 821094747 /nfs/dbraw/zinc/09/47/47/821094747.db2.gz SKFRBKMCYBHYPE-OLZOCXBDSA-N 2 0 298.431 -0.112 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001185213221 821103175 /nfs/dbraw/zinc/10/31/75/821103175.db2.gz JRMFDKJKLXEFRM-GHMZBOCLSA-N 2 0 282.388 -0.608 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]CCCO)C2)CC1 ZINC001185214208 821103699 /nfs/dbraw/zinc/10/36/99/821103699.db2.gz QJEGMQJVTVWWPL-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185230411 821104048 /nfs/dbraw/zinc/10/40/48/821104048.db2.gz QSJPOZZZTNLLAR-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185249523 821111702 /nfs/dbraw/zinc/11/17/02/821111702.db2.gz ZIPYDIWEGKABEP-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[NH+]2CC[C@H]2C1 ZINC001185256252 821111797 /nfs/dbraw/zinc/11/17/97/821111797.db2.gz CWCIMXAYAVGDJV-RYUDHWBXSA-N 2 0 252.362 -0.851 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001185249521 821112004 /nfs/dbraw/zinc/11/20/04/821112004.db2.gz ZFUFJSFVJHTGRP-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC[NH+]2CC[C@@H]2C1 ZINC001185256253 821112596 /nfs/dbraw/zinc/11/25/96/821112596.db2.gz CWCIMXAYAVGDJV-VXGBXAGGSA-N 2 0 252.362 -0.851 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCOC[C@H]1C[NH+](C)C ZINC001185258205 821113856 /nfs/dbraw/zinc/11/38/56/821113856.db2.gz QNTIUMLONZDREQ-OLZOCXBDSA-N 2 0 284.404 -0.979 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001185258703 821113895 /nfs/dbraw/zinc/11/38/95/821113895.db2.gz YORVMJGJXPKJES-UMVBOHGHSA-N 2 0 280.416 -0.358 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001185264970 821119264 /nfs/dbraw/zinc/11/92/64/821119264.db2.gz KQBUJHZQAPSRSU-CYBMUJFWSA-N 2 0 294.403 -0.190 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185385514 821126379 /nfs/dbraw/zinc/12/63/79/821126379.db2.gz PEAARSURVLCKSQ-KGLIPLIRSA-N 2 0 299.415 -0.474 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185416613 821128538 /nfs/dbraw/zinc/12/85/38/821128538.db2.gz YTLSLXVLVSVLKH-GHMZBOCLSA-N 2 0 270.377 -0.737 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001185401253 821128910 /nfs/dbraw/zinc/12/89/10/821128910.db2.gz OIURWCVQBQPXON-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001185401884 821129021 /nfs/dbraw/zinc/12/90/21/821129021.db2.gz XXICFTHBMTVJGK-DGCLKSJQSA-N 2 0 296.415 -0.204 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185407788 821129094 /nfs/dbraw/zinc/12/90/94/821129094.db2.gz BSJHSUJAYKGMLD-NEPJUHHUSA-N 2 0 273.377 -0.864 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001185408766 821129292 /nfs/dbraw/zinc/12/92/92/821129292.db2.gz YKUSKMWBOYDLBN-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001185650084 821136198 /nfs/dbraw/zinc/13/61/98/821136198.db2.gz BXKXVMPBYKAJGS-MJBXVCDLSA-N 2 0 299.415 -0.332 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](O)C3)C[C@H]2C1 ZINC001186043911 821154797 /nfs/dbraw/zinc/15/47/97/821154797.db2.gz AZGAOBNONPFFAY-MJBXVCDLSA-N 2 0 281.400 -0.147 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1nc[nH]n1 ZINC001188703642 823714001 /nfs/dbraw/zinc/71/40/01/823714001.db2.gz QDDOLOJKIRRNOB-UHFFFAOYSA-N 2 0 253.310 -0.518 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001186056565 821165228 /nfs/dbraw/zinc/16/52/28/821165228.db2.gz GHIQRIKJGCOQEN-GFCCVEGCSA-N 2 0 285.388 -0.591 20 0 CBADRP C[N@@H+]1CCC[C@H](C(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001186345421 821180193 /nfs/dbraw/zinc/18/01/93/821180193.db2.gz IDQXXKYDAACKLN-VIFPVBQESA-N 2 0 263.363 -0.925 20 0 CBADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)C[NH+](CC)CC)C1)C(N)=O ZINC001186496314 821184293 /nfs/dbraw/zinc/18/42/93/821184293.db2.gz DHEGJEKOBYENDC-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001186496942 821185406 /nfs/dbraw/zinc/18/54/06/821185406.db2.gz UMXYPIWSMYHGHJ-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001186816541 821198141 /nfs/dbraw/zinc/19/81/41/821198141.db2.gz AEBWJDDEJQNQLX-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187106569 821212225 /nfs/dbraw/zinc/21/22/25/821212225.db2.gz KBAPQUQVEHKIGT-MCIONIFRSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001187106427 821212448 /nfs/dbraw/zinc/21/24/48/821212448.db2.gz GWORAJBLWYPWQI-ZIAGYGMSSA-N 2 0 299.415 -0.208 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121052 821213029 /nfs/dbraw/zinc/21/30/29/821213029.db2.gz AKSLKSBHISZNDT-VXGBXAGGSA-N 2 0 294.399 -0.593 20 0 CBADRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC001187231139 821219838 /nfs/dbraw/zinc/21/98/38/821219838.db2.gz GFXVVHHXECTNLU-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP C[C@H](O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001279717212 828335587 /nfs/dbraw/zinc/33/55/87/828335587.db2.gz KNZLBYKINMRXPM-YNEHKIRRSA-N 2 0 287.404 -0.882 20 0 CBADRP O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N(CCO)CC[NH2+]CCO ZINC001279737203 828337103 /nfs/dbraw/zinc/33/71/03/828337103.db2.gz IPQZDWJEVFNUSE-UONOGXRCSA-N 2 0 299.415 -0.594 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1 ZINC001280152282 828344582 /nfs/dbraw/zinc/34/45/82/828344582.db2.gz KMUHNORQKIQHNF-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP O=C(N1CCO[C@H](C[NH2+]CCO)C1)C12CCC[NH+]1CCC2 ZINC001280601458 828366237 /nfs/dbraw/zinc/36/62/37/828366237.db2.gz PFOKDEGVEXLGMD-CYBMUJFWSA-N 2 0 297.399 -0.576 20 0 CBADRP COCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001280666390 828370603 /nfs/dbraw/zinc/37/06/03/828370603.db2.gz FWTDLBHZWYVWPL-KGLIPLIRSA-N 2 0 299.415 -0.208 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+]CCOC)C1 ZINC001280659967 828371118 /nfs/dbraw/zinc/37/11/18/828371118.db2.gz OUDCQYKUKGWRRB-CYBMUJFWSA-N 2 0 287.404 -0.208 20 0 CBADRP COCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001280666401 828371332 /nfs/dbraw/zinc/37/13/32/828371332.db2.gz FWTDLBHZWYVWPL-ZIAGYGMSSA-N 2 0 299.415 -0.208 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001187291581 822262823 /nfs/dbraw/zinc/26/28/23/822262823.db2.gz VQSWXDIXWMWPIR-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC001187306697 822265948 /nfs/dbraw/zinc/26/59/48/822265948.db2.gz MSCWQDKIACVSFS-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP COCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001281255556 828410521 /nfs/dbraw/zinc/41/05/21/828410521.db2.gz VHUZNSWWJQSLNM-CYBMUJFWSA-N 2 0 299.415 -0.018 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187825336 822297867 /nfs/dbraw/zinc/29/78/67/822297867.db2.gz KWMJPMSBEJZFOM-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187818577 822297921 /nfs/dbraw/zinc/29/79/21/822297921.db2.gz REKSQWBOZLZAHS-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187826353 822297975 /nfs/dbraw/zinc/29/79/75/822297975.db2.gz XZMPPCAULNNGMO-UPJWGTAASA-N 2 0 285.388 -0.864 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001187825673 822298333 /nfs/dbraw/zinc/29/83/33/822298333.db2.gz QCVMAJZHGJLEEB-DGCLKSJQSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(=O)N(C)C ZINC001187842929 822300022 /nfs/dbraw/zinc/30/00/22/822300022.db2.gz SBONFGBMVHZUER-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CN(C)c1nccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])n1 ZINC001188006336 822315457 /nfs/dbraw/zinc/31/54/57/822315457.db2.gz JLYKLJOUQDUHPM-UHFFFAOYSA-N 2 0 279.348 -0.383 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCO)[C@@H](C)C1 ZINC001281457495 828416716 /nfs/dbraw/zinc/41/67/16/828416716.db2.gz IUSZXANDHYCMEG-RYUDHWBXSA-N 2 0 257.378 -0.243 20 0 CBADRP CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001281821332 828426284 /nfs/dbraw/zinc/42/62/84/828426284.db2.gz ULKCXZYPLWEXJU-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCO)C1 ZINC001281457493 828417199 /nfs/dbraw/zinc/41/71/99/828417199.db2.gz IUSZXANDHYCMEG-NEPJUHHUSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@H](O)C[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001282478405 828449026 /nfs/dbraw/zinc/44/90/26/828449026.db2.gz QJQFBYRZFBUCGE-RYUDHWBXSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+](C)CCC(=O)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001283121636 828497761 /nfs/dbraw/zinc/49/77/61/828497761.db2.gz NQWZLVGHZLIPBR-UHFFFAOYSA-N 2 0 282.388 -0.734 20 0 CBADRP C[C@H](CCC[NH2+]CCO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001283215600 828508591 /nfs/dbraw/zinc/50/85/91/828508591.db2.gz XARNRLZMCCIKTM-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@H](CCC[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001283279708 828511230 /nfs/dbraw/zinc/51/12/30/828511230.db2.gz YPIQBCUBAOKXCT-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189055180 823731129 /nfs/dbraw/zinc/73/11/29/823731129.db2.gz OJEVTDBBJGLFHS-BFHYXJOUSA-N 2 0 299.415 -0.522 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189055240 823731791 /nfs/dbraw/zinc/73/17/91/823731791.db2.gz QXOJPWGVWUINOK-RWMBFGLXSA-N 2 0 269.389 -0.148 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189055238 823731807 /nfs/dbraw/zinc/73/18/07/823731807.db2.gz QXOJPWGVWUINOK-FRRDWIJNSA-N 2 0 269.389 -0.148 20 0 CBADRP C[N@H+](CCOCCO)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189391361 823752478 /nfs/dbraw/zinc/75/24/78/823752478.db2.gz XOTVGIIKIWTSFU-UONOGXRCSA-N 2 0 299.415 -0.378 20 0 CBADRP C[N@H+](CCOCCO)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189391353 823753609 /nfs/dbraw/zinc/75/36/09/823753609.db2.gz XOTVGIIKIWTSFU-KBPBESRZSA-N 2 0 299.415 -0.378 20 0 CBADRP COCC[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189810882 823775581 /nfs/dbraw/zinc/77/55/81/823775581.db2.gz LDIRFJJESXQFEE-UONOGXRCSA-N 2 0 299.415 -0.256 20 0 CBADRP CNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045309 823942968 /nfs/dbraw/zinc/94/29/68/823942968.db2.gz CATPIJYSUKQHCK-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170108 823956139 /nfs/dbraw/zinc/95/61/39/823956139.db2.gz HJDTUJQMVVERMQ-NEPJUHHUSA-N 2 0 284.404 -0.395 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ccn[nH]c1=O ZINC001192405427 823967779 /nfs/dbraw/zinc/96/77/79/823967779.db2.gz ZRGYGVXNNVTRHG-UHFFFAOYSA-N 2 0 280.332 -0.140 20 0 CBADRP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001284436786 828596029 /nfs/dbraw/zinc/59/60/29/828596029.db2.gz VBXLSUONRJIOTJ-VXGBXAGGSA-N 2 0 257.378 -0.102 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)C(N)=O)C1 ZINC001192947026 823992748 /nfs/dbraw/zinc/99/27/48/823992748.db2.gz GODDWPKCOJBLTH-NEPJUHHUSA-N 2 0 284.404 -0.265 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC001192948234 823993308 /nfs/dbraw/zinc/99/33/08/823993308.db2.gz QXYRWVWRTZPUMO-GFCCVEGCSA-N 2 0 257.378 -0.147 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@H](N(C)CC(=O)NC)C1 ZINC001192960062 823994102 /nfs/dbraw/zinc/99/41/02/823994102.db2.gz MURAOFNNNGDNGM-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP CC(C)[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCF)[NH+](C)C ZINC001284445302 828596732 /nfs/dbraw/zinc/59/67/32/828596732.db2.gz RLBXNCWTSXFYJN-NWDGAFQWSA-N 2 0 277.384 -0.049 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cnnn1C ZINC001193142963 824009601 /nfs/dbraw/zinc/00/96/01/824009601.db2.gz RNEYQODGSNCOQD-UHFFFAOYSA-N 2 0 267.337 -0.507 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@H](C)C(N)=O)C1 ZINC001193278127 824017732 /nfs/dbraw/zinc/01/77/32/824017732.db2.gz FAOYQVWFWVTTOS-NEPJUHHUSA-N 2 0 284.404 -0.265 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@H]2CCNC2=O)C1 ZINC001193293248 824018981 /nfs/dbraw/zinc/01/89/81/824018981.db2.gz ZFFZGDOUZNCVLW-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CN(C)C(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194000294 824054461 /nfs/dbraw/zinc/05/44/61/824054461.db2.gz AKWUJZVVVQKVDA-CHWSQXEVSA-N 2 0 296.415 -0.441 20 0 CBADRP CNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194001953 824054925 /nfs/dbraw/zinc/05/49/25/824054925.db2.gz LKZJQUSIRRTDHG-RYUDHWBXSA-N 2 0 282.388 -0.783 20 0 CBADRP CN(C)C(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194000295 824055049 /nfs/dbraw/zinc/05/50/49/824055049.db2.gz AKWUJZVVVQKVDA-OLZOCXBDSA-N 2 0 296.415 -0.441 20 0 CBADRP C[N@H+](CCCO)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194036670 824056451 /nfs/dbraw/zinc/05/64/51/824056451.db2.gz BYOYSMXAJKFLSS-ZDUSSCGKSA-N 2 0 269.389 -0.003 20 0 CBADRP CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871251 824135222 /nfs/dbraw/zinc/13/52/22/824135222.db2.gz OUAGGXFZSMRSDU-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859358 824134356 /nfs/dbraw/zinc/13/43/56/824134356.db2.gz HSVXOQFPTVBMFH-QJPTWQEYSA-N 2 0 273.377 -0.866 20 0 CBADRP CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)OC ZINC001195859046 824134700 /nfs/dbraw/zinc/13/47/00/824134700.db2.gz COYHRSFTUSQZRA-YNEHKIRRSA-N 2 0 287.404 -0.476 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001195860031 824135802 /nfs/dbraw/zinc/13/58/02/824135802.db2.gz SHXIGJUMKYYDFK-BFHYXJOUSA-N 2 0 299.415 -0.332 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001195860032 824135853 /nfs/dbraw/zinc/13/58/53/824135853.db2.gz SHXIGJUMKYYDFK-MGPQQGTHSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195980875 824140413 /nfs/dbraw/zinc/14/04/13/824140413.db2.gz JBICIQOSTMOCJF-IJLUTSLNSA-N 2 0 257.378 -0.246 20 0 CBADRP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001197776460 824201777 /nfs/dbraw/zinc/20/17/77/824201777.db2.gz XJADOBWUHPGUSF-BFHYXJOUSA-N 2 0 299.415 -0.474 20 0 CBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001197775893 824202142 /nfs/dbraw/zinc/20/21/42/824202142.db2.gz PLLRWOZFMDGIRP-BFHYXJOUSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001198097402 824218511 /nfs/dbraw/zinc/21/85/11/824218511.db2.gz ACDNCQCWLOTEJV-ZIAGYGMSSA-N 2 0 299.415 -0.520 20 0 CBADRP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198698541 824235622 /nfs/dbraw/zinc/23/56/22/824235622.db2.gz BJMPDLGUKQZIRD-MGPQQGTHSA-N 2 0 299.415 -0.476 20 0 CBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198655023 824236282 /nfs/dbraw/zinc/23/62/82/824236282.db2.gz YKMQYQIVTPOCQV-JHJVBQTASA-N 2 0 285.388 -0.864 20 0 CBADRP CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111569 824249606 /nfs/dbraw/zinc/24/96/06/824249606.db2.gz BPMMYOLLZGENGZ-JHJVBQTASA-N 2 0 287.404 -0.477 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)NC1(C[NH3+])COC1 ZINC001199352446 824264650 /nfs/dbraw/zinc/26/46/50/824264650.db2.gz YPXTWUSHYMJRFU-UHFFFAOYSA-N 2 0 250.302 -0.395 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001199943567 824296380 /nfs/dbraw/zinc/29/63/80/824296380.db2.gz MIQGLRPTBRZMBG-ZDUSSCGKSA-N 2 0 285.388 -0.456 20 0 CBADRP CO[C@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001199942937 824296688 /nfs/dbraw/zinc/29/66/88/824296688.db2.gz BNHSTNZBFKGGON-OCCSQVGLSA-N 2 0 299.415 -0.068 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCCO[C@H](C[NH2+]CCO)C2)C1 ZINC001201862909 824337449 /nfs/dbraw/zinc/33/74/49/824337449.db2.gz ICJOHSKZKMYREQ-UONOGXRCSA-N 2 0 299.415 -0.472 20 0 CBADRP COCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202056756 824341244 /nfs/dbraw/zinc/34/12/44/824341244.db2.gz BKIBREPMOOSYOB-ZIAGYGMSSA-N 2 0 299.415 -0.208 20 0 CBADRP CNC(=O)C[NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001202296379 824344621 /nfs/dbraw/zinc/34/46/21/824344621.db2.gz HTDKLCCEEARYTI-UHFFFAOYSA-N 2 0 296.415 -0.345 20 0 CBADRP CN1CC[C@@H]([NH2+]C2CCN(C(=O)CC[NH+](C)C)CC2)C1=O ZINC001202330054 824346705 /nfs/dbraw/zinc/34/67/05/824346705.db2.gz AFHWIZZVGGFIND-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP CCN(C)C(=O)C[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202316108 824346752 /nfs/dbraw/zinc/34/67/52/824346752.db2.gz NDUZPFDBWYKMPD-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC001203203175 824359684 /nfs/dbraw/zinc/35/96/84/824359684.db2.gz HYBHBPSGLGCAID-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP CCNC(=O)C[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203705459 824362809 /nfs/dbraw/zinc/36/28/09/824362809.db2.gz WJBPPNXCADBPCG-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP CN(C)C(=O)C[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203705129 824362895 /nfs/dbraw/zinc/36/28/95/824362895.db2.gz MCOVGZDHSHKOIS-UHFFFAOYSA-N 2 0 296.415 -0.249 20 0 CBADRP COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001203699696 824363098 /nfs/dbraw/zinc/36/30/98/824363098.db2.gz PYBSZLJFLXFZRO-JSGCOSHPSA-N 2 0 299.415 -0.474 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC001203925482 824363646 /nfs/dbraw/zinc/36/36/46/824363646.db2.gz PJANWYBMBNVDDZ-LLVKDONJSA-N 2 0 284.404 -0.219 20 0 CBADRP CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2CCC[C@H]([NH3+])CC2)O1 ZINC001205095222 824374847 /nfs/dbraw/zinc/37/48/47/824374847.db2.gz VMHCRXUEUBGVAP-QNWHQSFQSA-N 2 0 288.388 -0.327 20 0 CBADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cnc3n2CCNC3)CC1 ZINC001205256893 824376380 /nfs/dbraw/zinc/37/63/80/824376380.db2.gz RWOMFYGFNQXGLE-CQSZACIVSA-N 2 0 279.388 -0.338 20 0 CBADRP Nc1nccnc1C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205230138 824376770 /nfs/dbraw/zinc/37/67/70/824376770.db2.gz QREPUGHIGRVUNE-LBPRGKRZSA-N 2 0 251.334 -0.266 20 0 CBADRP [NH3+][C@@H]1CN(Cc2ccccc2N2CC[NH2+]CC2)C[C@H]1O ZINC001205351956 824377791 /nfs/dbraw/zinc/37/77/91/824377791.db2.gz ATXWPOAIKHXMHG-UKRRQHHQSA-N 2 0 276.384 -0.400 20 0 CBADRP [NH3+][C@@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)C[C@H]1O ZINC001205363224 824378300 /nfs/dbraw/zinc/37/83/00/824378300.db2.gz HLZDGFGCKJEQJW-VXNVDRBHSA-N 2 0 254.359 -0.707 20 0 CBADRP CC[C@H](C(=O)N1CCC(C[NH2+]CC(=O)NC)CC1)[NH+](C)C ZINC001205516238 824379870 /nfs/dbraw/zinc/37/98/70/824379870.db2.gz URZOFUTXSHAXFP-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP [NH3+]C[C@]1(O)CCCC[N@H+](CC[C@@H]2C[NH2+]CCO2)C1 ZINC001205665819 824380516 /nfs/dbraw/zinc/38/05/16/824380516.db2.gz VXVWEYCXTYNTLN-CHWSQXEVSA-N 3 0 257.378 -0.459 20 0 CBADRP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205673899 824380884 /nfs/dbraw/zinc/38/08/84/824380884.db2.gz VKQANCYDNJGQKQ-ZDUSSCGKSA-N 2 0 282.344 -0.128 20 0 CBADRP Cn1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(=O)n(C)c1=O ZINC001206184114 824394606 /nfs/dbraw/zinc/39/46/06/824394606.db2.gz HPRSFUPEACKBAL-QWRGUYRKSA-N 2 0 284.335 -0.655 20 0 CBADRP C[C@H]([NH2+]CC1CCN(C(=O)Cc2cnc[nH]2)CC1)C(N)=O ZINC001206401148 824398174 /nfs/dbraw/zinc/39/81/74/824398174.db2.gz BPZWRRIRJVTDCX-JTQLQIEISA-N 2 0 293.371 -0.346 20 0 CBADRP O=C(N1CCC(C[NH2+]CCO)CC1)C12CC[NH+](CC1)C2 ZINC001206874820 824407736 /nfs/dbraw/zinc/40/77/36/824407736.db2.gz IXYXFXVGMHSMQW-UHFFFAOYSA-N 2 0 281.400 -0.097 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]CCO)CC2)C1 ZINC001206928996 824413385 /nfs/dbraw/zinc/41/33/85/824413385.db2.gz PWDQGSIDVUJFMQ-ZDUSSCGKSA-N 2 0 269.389 -0.241 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206953522 824414219 /nfs/dbraw/zinc/41/42/19/824414219.db2.gz PEIFADWJFYBPQZ-UHFFFAOYSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001208454082 824452848 /nfs/dbraw/zinc/45/28/48/824452848.db2.gz SIHPUZSBBCVFIL-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP CC[NH+]1CCC(C[N@@H+]2CCO[C@@H](C(N)=O)C2)CC1 ZINC001208597696 824456424 /nfs/dbraw/zinc/45/64/24/824456424.db2.gz KXJYVUKVVVAXHF-GFCCVEGCSA-N 2 0 255.362 -0.096 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001209323981 824468277 /nfs/dbraw/zinc/46/82/77/824468277.db2.gz NRMNYCADZKPNEX-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001209322920 824468657 /nfs/dbraw/zinc/46/86/57/824468657.db2.gz BORMYRMSPDFPLZ-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209323316 824469042 /nfs/dbraw/zinc/46/90/42/824469042.db2.gz HNADOCDKIADFHF-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001209445293 824470534 /nfs/dbraw/zinc/47/05/34/824470534.db2.gz LQOKJEBCZIZVIE-JTQLQIEISA-N 2 0 256.350 -0.996 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001209420223 824470619 /nfs/dbraw/zinc/47/06/19/824470619.db2.gz SRHDXWHPCOIUMW-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001209445045 824470764 /nfs/dbraw/zinc/47/07/64/824470764.db2.gz JWZIFRUBVPDMKY-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP CN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001209454619 824472247 /nfs/dbraw/zinc/47/22/47/824472247.db2.gz MTHAKRXBTGPQRE-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001209641333 824473578 /nfs/dbraw/zinc/47/35/78/824473578.db2.gz IPWRGQLMTDITFK-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001209668107 824473955 /nfs/dbraw/zinc/47/39/55/824473955.db2.gz BGZCKERQOBKARM-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001209669606 824474287 /nfs/dbraw/zinc/47/42/87/824474287.db2.gz QITOWLGCYSGPHH-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)C[C@H]1CN(C[C@@H]2C[NH2+]C(C)(C)O2)CCO1 ZINC001209856422 824476200 /nfs/dbraw/zinc/47/62/00/824476200.db2.gz CZZYMCLIWMSKTK-RYUDHWBXSA-N 2 0 257.378 -0.027 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001210217516 824478555 /nfs/dbraw/zinc/47/85/55/824478555.db2.gz JRYHDLGDZZFZHX-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1OC)[NH+](C)C ZINC001212463242 824507636 /nfs/dbraw/zinc/50/76/36/824507636.db2.gz YOFAGYPQTLWHNN-IJLUTSLNSA-N 2 0 273.377 -0.866 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1OC ZINC001213598794 824512330 /nfs/dbraw/zinc/51/23/30/824512330.db2.gz NTYALYSHPXEGBN-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC)C[C@H]1OC ZINC001213671311 824514270 /nfs/dbraw/zinc/51/42/70/824514270.db2.gz AXOGGRKVYFZMKB-CHWSQXEVSA-N 2 0 287.404 -0.210 20 0 CBADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916909 824517259 /nfs/dbraw/zinc/51/72/59/824517259.db2.gz QNAFCYPSSVPOLQ-ZIAGYGMSSA-N 2 0 299.415 -0.330 20 0 CBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930161 824518241 /nfs/dbraw/zinc/51/82/41/824518241.db2.gz YSQDBGVCAHQDHB-CHWSQXEVSA-N 2 0 287.404 -0.476 20 0 CBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001215421613 824541431 /nfs/dbraw/zinc/54/14/31/824541431.db2.gz IOMYSJWDAQZQEB-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453726 824541900 /nfs/dbraw/zinc/54/19/00/824541900.db2.gz PALGFESRVLCHNK-DGCLKSJQSA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215461164 824541947 /nfs/dbraw/zinc/54/19/47/824541947.db2.gz UOWJMRYNJODNTP-GRYCIOLGSA-N 2 0 257.378 -0.245 20 0 CBADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001215571216 824544012 /nfs/dbraw/zinc/54/40/12/824544012.db2.gz FKVLYIHKGPUTQB-UPJWGTAASA-N 2 0 298.431 -0.149 20 0 CBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001215998849 824545359 /nfs/dbraw/zinc/54/53/59/824545359.db2.gz FIVXSNZUTBSLCO-IJLUTSLNSA-N 2 0 284.404 -0.362 20 0 CBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1 ZINC001216002005 824545827 /nfs/dbraw/zinc/54/58/27/824545827.db2.gz OBZYWBIROWAXSS-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001216755830 824548871 /nfs/dbraw/zinc/54/88/71/824548871.db2.gz GGYXEPYYULDOIT-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP C(O[C@H]1C[NH2+]CCOC1)[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217785408 824561056 /nfs/dbraw/zinc/56/10/56/824561056.db2.gz KWYUPARNDRHAJA-NDBYEHHHSA-N 2 0 256.346 -0.242 20 0 CBADRP C(O[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217797445 824562383 /nfs/dbraw/zinc/56/23/83/824562383.db2.gz AGDMENBZIJFBER-FQKPHLNHSA-N 2 0 281.400 -0.184 20 0 CBADRP C(OC[C@H]1C[NH2+]CCO1)[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217822094 824562762 /nfs/dbraw/zinc/56/27/62/824562762.db2.gz KGXBENBJLBDTGN-XQHKEYJVSA-N 2 0 256.346 -0.242 20 0 CBADRP NC(=O)[C@@H]([NH3+])Cc1ccc(O[C@@H]2C=CC[NH2+]C2)cc1 ZINC001218332733 824566861 /nfs/dbraw/zinc/56/68/61/824566861.db2.gz AVYZAJAWGRPROJ-OLZOCXBDSA-N 2 0 261.325 -0.052 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ncccn1 ZINC001218495135 824568832 /nfs/dbraw/zinc/56/88/32/824568832.db2.gz KSXFAAOQYVUSPE-SNVBAGLBSA-N 2 0 264.333 -0.835 20 0 CBADRP Cn1ccnc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218497938 824570391 /nfs/dbraw/zinc/57/03/91/824570391.db2.gz PIQKVDFCWHEDGB-SNVBAGLBSA-N 2 0 266.349 -0.891 20 0 CBADRP CCOC(=O)c1cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)[nH]n1 ZINC001218510729 824576684 /nfs/dbraw/zinc/57/66/84/824576684.db2.gz NGMKRYHOXPOAKJ-QMMMGPOBSA-N 2 0 293.327 -0.666 20 0 CBADRP [NH3+][C@@H](C(=O)Nc1ncnc2n[nH]nc21)C1CC[NH2+]CC1 ZINC001218515208 824578961 /nfs/dbraw/zinc/57/89/61/824578961.db2.gz COYXSLNMQPLYNT-SSDOTTSWSA-N 2 0 276.304 -0.987 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cc(C2CC2)[nH]n1 ZINC001218522001 824581497 /nfs/dbraw/zinc/58/14/97/824581497.db2.gz WJVKPIXQXQPJCB-LLVKDONJSA-N 2 0 292.387 -0.024 20 0 CBADRP NC1(C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)CC[NH2+]CC1 ZINC001218532715 824585147 /nfs/dbraw/zinc/58/51/47/824585147.db2.gz JIVAHFMVGKSTCE-MRVPVSSYSA-N 2 0 295.412 -0.022 20 0 CBADRP COc1cc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)ncn1 ZINC001218535326 824585740 /nfs/dbraw/zinc/58/57/40/824585740.db2.gz IDQRHMIYKBQHAD-NSHDSACASA-N 2 0 265.317 -0.249 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)C1 ZINC001218532510 824586189 /nfs/dbraw/zinc/58/61/89/824586189.db2.gz FTBHNFTVJKHLLA-FJXKBIBVSA-N 2 0 281.385 -0.413 20 0 CBADRP CCn1cc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cn1 ZINC001218544671 824588126 /nfs/dbraw/zinc/58/81/26/824588126.db2.gz BCCMKUFNWFOXSB-LBPRGKRZSA-N 2 0 280.376 -0.408 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC001218551590 824589832 /nfs/dbraw/zinc/58/98/32/824589832.db2.gz QHHUDTIQHSCVIZ-GFCCVEGCSA-N 2 0 293.371 -0.077 20 0 CBADRP Cc1noc(NC(=O)[C@@H]([NH3+])CCC[NH3+])c1C(N)=O ZINC001218551946 824589946 /nfs/dbraw/zinc/58/99/46/824589946.db2.gz WLLQHBMSWQHOSA-LURJTMIESA-N 2 0 255.278 -0.913 20 0 CBADRP CN(C)c1cc[nH+]cc1NC(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001218562827 824590995 /nfs/dbraw/zinc/59/09/95/824590995.db2.gz CFKQDLNTHUEOHP-MNOVXSKESA-N 2 0 250.302 -0.191 20 0 CBADRP CN(C)c1cc[nH+]cc1NC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001218563147 824591017 /nfs/dbraw/zinc/59/10/17/824591017.db2.gz LSTQLTGTDCFUGB-KCJUWKMLSA-N 2 0 250.302 -0.334 20 0 CBADRP Cc1ccc(O)c(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001218565085 824593439 /nfs/dbraw/zinc/59/34/39/824593439.db2.gz RFAJKJJIPMASHV-SECBINFHSA-N 2 0 262.313 -0.157 20 0 CBADRP N=c1c(N)c(Cl)ccn1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218568037 824594254 /nfs/dbraw/zinc/59/42/54/824594254.db2.gz XFUCZFDGTLWANC-SSDOTTSWSA-N 2 0 281.747 -0.348 20 0 CBADRP N=c1c(N)c(Cl)ccn1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218567818 824594740 /nfs/dbraw/zinc/59/47/40/824594740.db2.gz UQSRNJWBNWBFMH-ZETCQYMHSA-N 2 0 257.725 -0.090 20 0 CBADRP NC(=O)c1n[nH]cc1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218565663 824595263 /nfs/dbraw/zinc/59/52/63/824595263.db2.gz YAFSIDHSWXLLKJ-QMMMGPOBSA-N 2 0 292.343 -0.679 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cncc(O)c1 ZINC001218573438 824595848 /nfs/dbraw/zinc/59/58/48/824595848.db2.gz FFBSJKQSYNSPCU-LBPRGKRZSA-N 2 0 279.344 -0.524 20 0 CBADRP COC(=O)c1cncc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)n1 ZINC001218579799 824598801 /nfs/dbraw/zinc/59/88/01/824598801.db2.gz LJBAXQIFJAWCQM-NSHDSACASA-N 2 0 293.327 -0.471 20 0 CBADRP COc1ncc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)cn1 ZINC001218593771 824600088 /nfs/dbraw/zinc/60/00/88/824600088.db2.gz OFDKOYYKECTFCL-JTQLQIEISA-N 2 0 265.317 -0.249 20 0 CBADRP N=c1ccc(F)c(N)n1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218604046 824601253 /nfs/dbraw/zinc/60/12/53/824601253.db2.gz KVTNLVCYQPWJPB-QMMMGPOBSA-N 2 0 255.297 -0.215 20 0 CBADRP N=c1ccc(F)c(N)n1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218603667 824601530 /nfs/dbraw/zinc/60/15/30/824601530.db2.gz GGIXGZMUDWTNIA-ZETCQYMHSA-N 2 0 273.337 -0.652 20 0 CBADRP Nc1cnc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)cn1 ZINC001218623294 824607382 /nfs/dbraw/zinc/60/73/82/824607382.db2.gz GMMSNAHADKMJDH-PRHODGIISA-N 2 0 262.317 -0.804 20 0 CBADRP Nc1cnc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])cn1 ZINC001218628241 824609384 /nfs/dbraw/zinc/60/93/84/824609384.db2.gz ZCOUHADSZVNOCJ-QMMMGPOBSA-N 2 0 252.322 -0.156 20 0 CBADRP Cc1ncnc(C)c1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218638168 824611035 /nfs/dbraw/zinc/61/10/35/824611035.db2.gz MNQULICWRWJTFD-SNVBAGLBSA-N 2 0 261.329 -0.159 20 0 CBADRP Cc1nc(Cl)c(N)c(=N)n1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218641591 824612763 /nfs/dbraw/zinc/61/27/63/824612763.db2.gz GIUFSZMIMYMPPL-SSDOTTSWSA-N 2 0 296.762 -0.644 20 0 CBADRP CCOC(=O)c1cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c[nH]1 ZINC001218650156 824615662 /nfs/dbraw/zinc/61/56/62/824615662.db2.gz SXWOGIZVDIJDMT-SNVBAGLBSA-N 2 0 292.339 -0.061 20 0 CBADRP [NH3+][C@H](C(=O)Nc1ccn2cnnc2c1)C1CC[NH2+]CC1 ZINC001218659799 824618459 /nfs/dbraw/zinc/61/84/59/824618459.db2.gz VYNDNVKXSQJIBN-LBPRGKRZSA-N 2 0 274.328 -0.005 20 0 CBADRP Nc1cc[nH]c(=O)c1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218679525 824620704 /nfs/dbraw/zinc/62/07/04/824620704.db2.gz URPGIDRPKHYOQE-ZETCQYMHSA-N 2 0 263.301 -0.883 20 0 CBADRP Nc1cc[nH]c(=O)c1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218678824 824621301 /nfs/dbraw/zinc/62/13/01/824621301.db2.gz MNHWOVUQNKLMEJ-ZETCQYMHSA-N 2 0 271.346 -0.673 20 0 CBADRP Cc1c(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)ncn1C ZINC001218693851 824622196 /nfs/dbraw/zinc/62/21/96/824622196.db2.gz VDXWRMMZOBRPCE-ZWNOBZJWSA-N 2 0 263.345 -0.134 20 0 CBADRP Cc1c(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)ncn1C ZINC001218691192 824622210 /nfs/dbraw/zinc/62/22/10/824622210.db2.gz HLIHNOROGZLYQF-SNVBAGLBSA-N 2 0 251.334 -0.006 20 0 CBADRP Nc1cn(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])ccc1=[NH2+] ZINC001218692029 824622581 /nfs/dbraw/zinc/62/25/81/824622581.db2.gz ASCHMTGOHBHKMP-JTQLQIEISA-N 2 0 263.301 -0.860 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)n1ccc(=[NH2+])c(N)c1 ZINC001218694402 824622803 /nfs/dbraw/zinc/62/28/03/824622803.db2.gz WZSMQPNBNYBEJK-UHFFFAOYSA-N 2 0 250.306 -0.157 20 0 CBADRP Cc1nc2[nH]cnc2c(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001218700376 824623411 /nfs/dbraw/zinc/62/34/11/824623411.db2.gz XQPUTLMISZGILU-MRVPVSSYSA-N 2 0 287.327 -0.591 20 0 CBADRP Cc1ncn(C)c1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218697951 824623882 /nfs/dbraw/zinc/62/38/82/824623882.db2.gz KZCSJCIGMWDUJI-SNVBAGLBSA-N 2 0 251.334 -0.006 20 0 CBADRP O=C(Nc1cc([C@@H]2CCC[NH2+]2)no1)[C@H]1[NH2+]CC[C@@H]1O ZINC001218710259 824625826 /nfs/dbraw/zinc/62/58/26/824625826.db2.gz DLPMJDTZVYJHIO-ARENWVFISA-N 2 0 266.301 -0.240 20 0 CBADRP [NH3+]Cc1cncc(NC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)c1 ZINC001218703607 824626195 /nfs/dbraw/zinc/62/61/95/824626195.db2.gz GPOYSFHFKXZRCP-GXFFZTMASA-N 2 0 261.329 -0.570 20 0 CBADRP N[C@@]1(C(=O)Nc2cc([C@@H]3CCC[NH2+]3)no2)CC[NH2+]C1 ZINC001218714300 824627367 /nfs/dbraw/zinc/62/73/67/824627367.db2.gz XIJSROYOUFYSRK-UFBFGSQYSA-N 2 0 265.317 -0.272 20 0 CBADRP O=C(Nc1cc([C@@H]2CCC[NH2+]2)no1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001218713116 824627599 /nfs/dbraw/zinc/62/75/99/824627599.db2.gz QRHLHDVPGWIVKV-BHDSKKPTSA-N 2 0 291.355 -0.011 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc[nH]1 ZINC001218716674 824627752 /nfs/dbraw/zinc/62/77/52/824627752.db2.gz ZKNKMQBZCSDIAO-JTQLQIEISA-N 2 0 251.334 -0.296 20 0 CBADRP Cc1cc(=O)c(N)c(C)n1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218718387 824627961 /nfs/dbraw/zinc/62/79/61/824627961.db2.gz PBCWGHALJQDYPB-IAQYHMDHSA-N 2 0 290.367 -0.113 20 0 CBADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@@H]1C[NH2+]C[C@H]1O ZINC001218728187 824628685 /nfs/dbraw/zinc/62/86/85/824628685.db2.gz UJPQSIPHVNMABN-IJLUTSLNSA-N 2 0 292.339 -0.659 20 0 CBADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001218728217 824628751 /nfs/dbraw/zinc/62/87/51/824628751.db2.gz URXQHFWGGCAYCU-IJLUTSLNSA-N 2 0 292.339 -0.516 20 0 CBADRP N[C@]1(C(=O)Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)CC[NH2+]C1 ZINC001218728681 824629117 /nfs/dbraw/zinc/62/91/17/824629117.db2.gz ZUKBJNMAPHFIQW-BXUZGUMPSA-N 2 0 291.355 -0.548 20 0 CBADRP CN(C)c1cc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)[nH]n1 ZINC001218743623 824632111 /nfs/dbraw/zinc/63/21/11/824632111.db2.gz VJTRHGGVBJHIQV-NOZJJQNGSA-N 2 0 278.360 -0.387 20 0 CBADRP Cc1cnn(CCO)c1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001218749375 824632989 /nfs/dbraw/zinc/63/29/89/824632989.db2.gz BWOKVLMSVCTUTL-NSHDSACASA-N 2 0 283.376 -0.031 20 0 CBADRP COc1cc(OC)c(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cn1 ZINC001218760229 824635064 /nfs/dbraw/zinc/63/50/64/824635064.db2.gz VJZNDISYVXPHFY-SECBINFHSA-N 2 0 292.339 -0.154 20 0 CBADRP CCOC(=O)c1nc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c[nH]1 ZINC001218765733 824635539 /nfs/dbraw/zinc/63/55/39/824635539.db2.gz ZMCVVWLOLFUVJP-MRVPVSSYSA-N 2 0 293.327 -0.666 20 0 CBADRP O=C(Nc1ncccc1CCO)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218792861 824638424 /nfs/dbraw/zinc/63/84/24/824638424.db2.gz QDPJXTLICBQQHN-IUODEOHRSA-N 2 0 290.367 -0.246 20 0 CBADRP [NH3+][C@H](C(=O)Nc1ncccc1CCO)C1CC[NH2+]CC1 ZINC001218791715 824638561 /nfs/dbraw/zinc/63/85/61/824638561.db2.gz CFNAAKWVVKEDTC-LBPRGKRZSA-N 2 0 278.356 -0.118 20 0 CBADRP [NH3+][C@@H](C(=O)Nc1c[nH]ccc1=O)C1CC[NH2+]CC1 ZINC001218791417 824639268 /nfs/dbraw/zinc/63/92/68/824639268.db2.gz IMJDLZJVLMXFPK-LLVKDONJSA-N 2 0 250.302 -0.360 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)Nc1cnn2c1OCCC2 ZINC001218793573 824639410 /nfs/dbraw/zinc/63/94/10/824639410.db2.gz DLLQKPXVZWIHSQ-SECBINFHSA-N 2 0 276.300 -0.103 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C(=O)NCCO2 ZINC001218816848 824641209 /nfs/dbraw/zinc/64/12/09/824641209.db2.gz LNYSDVNAQUNZLE-NSHDSACASA-N 2 0 292.339 -0.187 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCOC)C[C@@H]21 ZINC001218904938 824645820 /nfs/dbraw/zinc/64/58/20/824645820.db2.gz NHOXESYYHBWZNI-UONOGXRCSA-N 2 0 299.415 -0.114 20 0 CBADRP Nc1ccc(OCCO)c(NC(=O)[C@H]([NH3+])CCC[NH3+])c1 ZINC001218919327 824647344 /nfs/dbraw/zinc/64/73/44/824647344.db2.gz NBPOOPVZPSIMSS-SNVBAGLBSA-N 2 0 282.344 -0.355 20 0 CBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001218992753 824652587 /nfs/dbraw/zinc/65/25/87/824652587.db2.gz DRCJZWHLEWQVEG-KWQFWETISA-N 2 0 292.339 -0.947 20 0 CBADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1C[NH2+]CCN1 ZINC001219027921 824652717 /nfs/dbraw/zinc/65/27/17/824652717.db2.gz IHZKDGHZTAXNHD-GFCCVEGCSA-N 2 0 276.340 -0.332 20 0 CBADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1C[NH2+]C[C@H]1O ZINC001219027941 824652723 /nfs/dbraw/zinc/65/27/23/824652723.db2.gz IWAZLYCCZMMDFN-NWDGAFQWSA-N 2 0 277.324 -0.313 20 0 CBADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219027940 824652911 /nfs/dbraw/zinc/65/29/11/824652911.db2.gz IWAZLYCCZMMDFN-NEPJUHHUSA-N 2 0 277.324 -0.313 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2CN(C[C@H](C)O)C[C@@H]21 ZINC001219055059 824654338 /nfs/dbraw/zinc/65/43/38/824654338.db2.gz ULNKOGPEWXSTKR-MELADBBJSA-N 2 0 299.415 -0.381 20 0 CBADRP Nc1c(F)cccc1N(C(=O)[C@@H](N)C[NH3+])C1CC[NH2+]CC1 ZINC001219280895 824683679 /nfs/dbraw/zinc/68/36/79/824683679.db2.gz QEFAXXXPZXEHFE-NSHDSACASA-N 2 0 295.362 -0.221 20 0 CBADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)cc1 ZINC001219345638 824694732 /nfs/dbraw/zinc/69/47/32/824694732.db2.gz YLFHMVFCPPVNAU-LBPRGKRZSA-N 2 0 276.340 -0.586 20 0 CBADRP NC(=O)c1cc(O)cc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1 ZINC001219441547 824710532 /nfs/dbraw/zinc/71/05/32/824710532.db2.gz IQPIWEYRPKBGAY-JTQLQIEISA-N 2 0 298.368 -0.551 20 0 CBADRP [NH3+]CCNCC(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219540060 824725205 /nfs/dbraw/zinc/72/52/05/824725205.db2.gz CRPLVSPHNMSXID-JOYOIKCWSA-N 2 0 276.340 -0.379 20 0 CBADRP [NH3+]CCNCC(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219540059 824725252 /nfs/dbraw/zinc/72/52/52/824725252.db2.gz CRPLVSPHNMSXID-CABZTGNLSA-N 2 0 276.340 -0.379 20 0 CBADRP [NH3+]CCNCC(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219540061 824726136 /nfs/dbraw/zinc/72/61/36/824726136.db2.gz CRPLVSPHNMSXID-SKDRFNHKSA-N 2 0 276.340 -0.379 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCC[NH+](C)C ZINC001219553731 824726497 /nfs/dbraw/zinc/72/64/97/824726497.db2.gz IZSSALGOXYNODQ-ONGXEEELSA-N 2 0 258.366 -0.846 20 0 CBADRP CC(C)[C@@H](C)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219554279 824727775 /nfs/dbraw/zinc/72/77/75/824727775.db2.gz ZDVBBEIAANDKNZ-ZYHUDNBSSA-N 2 0 256.394 -0.103 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219555807 824729012 /nfs/dbraw/zinc/72/90/12/824729012.db2.gz SRDFXWOJXMCVCG-NSHDSACASA-N 3 0 254.378 -0.747 20 0 CBADRP CC(C)OCCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219559566 824729773 /nfs/dbraw/zinc/72/97/73/824729773.db2.gz BUUBHCVCCQKELB-LBPRGKRZSA-N 2 0 272.393 -0.722 20 0 CBADRP Cc1cccnc1CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219563701 824731329 /nfs/dbraw/zinc/73/13/29/824731329.db2.gz IMLRCLKYOQKCJX-NSHDSACASA-N 2 0 260.341 -0.185 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCCn1ccnn1 ZINC001219565698 824732845 /nfs/dbraw/zinc/73/28/45/824732845.db2.gz MFKNQGBEPWEMKG-LBPRGKRZSA-N 2 0 282.392 -0.110 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)CNC2CC[NH2+]CC2)C[NH2+]1 ZINC001219582354 824736032 /nfs/dbraw/zinc/73/60/32/824736032.db2.gz CAUBXHSKPCSXRY-JQWIXIFHSA-N 2 0 254.378 -0.415 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)C[C@@]2(O)CCC[NH2+]C2)C[NH2+]1 ZINC001219582320 824736099 /nfs/dbraw/zinc/73/60/99/824736099.db2.gz AVOPDQDHGHYIDV-GVXVVHGQSA-N 2 0 255.362 -0.252 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)C[C@@H]([NH3+])CCC(N)=O)C[NH2+]1 ZINC001219584799 824736674 /nfs/dbraw/zinc/73/66/74/824736674.db2.gz HDVKKWSGVPCJIZ-GUBZILKMSA-N 2 0 256.350 -0.774 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C[NH2+]1 ZINC001219586979 824737388 /nfs/dbraw/zinc/73/73/88/824737388.db2.gz MKMFEFBLUBJSTB-DCAQKATOSA-N 2 0 268.361 -0.807 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001219593732 824738761 /nfs/dbraw/zinc/73/87/61/824738761.db2.gz GMMSLZHONJDMAG-DTWKUNHWSA-N 2 0 263.363 -0.879 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001219593734 824739244 /nfs/dbraw/zinc/73/92/44/824739244.db2.gz GMMSLZHONJDMAG-RKDXNWHRSA-N 2 0 263.363 -0.879 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])CC(=O)N(CC[NH3+])S(C)(=O)=O ZINC001219595850 824739678 /nfs/dbraw/zinc/73/96/78/824739678.db2.gz STLHBRLOKPBIMO-SECBINFHSA-N 2 0 295.405 -0.734 20 0 CBADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001219593731 824739943 /nfs/dbraw/zinc/73/99/43/824739943.db2.gz GMMSLZHONJDMAG-BDAKNGLRSA-N 2 0 263.363 -0.879 20 0 CBADRP Cc1cnc(CCNC(=O)[C@@H]([NH3+])CCCC[NH3+])nc1 ZINC001219601709 824741915 /nfs/dbraw/zinc/74/19/15/824741915.db2.gz XKYJTICOBFITHN-NSHDSACASA-N 2 0 265.361 -0.100 20 0 CBADRP Cc1cc(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)no1 ZINC001219604322 824850686 /nfs/dbraw/zinc/85/06/86/824850686.db2.gz MQGYKPSOTDGYIR-JTQLQIEISA-N 2 0 250.302 -0.592 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H](O)c1ccco1 ZINC001219604746 824850822 /nfs/dbraw/zinc/85/08/22/824850822.db2.gz YIYMCIJXTGDUCW-RYUDHWBXSA-N 2 0 296.371 -0.820 20 0 CBADRP [NH3+][C@@H](C(=O)NC[C@@H](O)c1ccco1)C1CC[NH2+]CC1 ZINC001219603669 824851311 /nfs/dbraw/zinc/85/13/11/824851311.db2.gz CMMAWIDFYLICHH-ZYHUDNBSSA-N 2 0 267.329 -0.244 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219609909 824854171 /nfs/dbraw/zinc/85/41/71/824854171.db2.gz HWDBEKQCTMKFIL-JTQLQIEISA-N 2 0 280.294 -0.698 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219610692 824854322 /nfs/dbraw/zinc/85/43/22/824854322.db2.gz QPQWYTRUDSQCFF-IONNQARKSA-N 2 0 283.250 -0.713 20 0 CBADRP [NH3+][C@H](C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC001219610069 824854476 /nfs/dbraw/zinc/85/44/76/824854476.db2.gz KMDKNCANPGBZFI-GXSJLCMTSA-N 3 0 294.321 -0.276 20 0 CBADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219610953 824854572 /nfs/dbraw/zinc/85/45/72/824854572.db2.gz UOCCXORUWMMCAB-ACLDMZEESA-N 2 0 267.251 -0.880 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611171 824854669 /nfs/dbraw/zinc/85/46/69/824854669.db2.gz WWOGLYSZJLVUNF-WPRPVWTQSA-N 3 0 282.310 -0.147 20 0 CBADRP C[C@@H](C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)[NH+]1CCCC1 ZINC001219617060 824856364 /nfs/dbraw/zinc/85/63/64/824856364.db2.gz HJSHPMDYVRFDCH-GMXVVIOVSA-N 2 0 273.352 -0.351 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001219618196 824857841 /nfs/dbraw/zinc/85/78/41/824857841.db2.gz YBBJRYRWMQPBTJ-QFOLPQNPSA-N 2 0 277.315 -0.745 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C[C@H]1F)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219619260 824858036 /nfs/dbraw/zinc/85/80/36/824858036.db2.gz DUBVVDWCKPPGQW-SRRSOLGSSA-N 2 0 291.342 -0.497 20 0 CBADRP C[NH+](C)CCCCC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219619153 824858842 /nfs/dbraw/zinc/85/88/42/824858842.db2.gz AONJSTFVWPKLBS-WCQYABFASA-N 2 0 275.368 -0.103 20 0 CBADRP [NH3+][C@@H](CC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)C1CC1 ZINC001219619231 824859783 /nfs/dbraw/zinc/85/97/83/824859783.db2.gz CSQKBXVKCRILFI-JBLDHEPKSA-N 2 0 259.325 -0.708 20 0 CBADRP CC[C@H](C)[C@@H]([NH2+]C)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219620165 824860273 /nfs/dbraw/zinc/86/02/73/824860273.db2.gz XJUFWYPHRWBRBV-MEWQQHAOSA-N 2 0 275.368 -0.201 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1CC[NH2+]C[C@@H]1F ZINC001219622552 824860293 /nfs/dbraw/zinc/86/02/93/824860293.db2.gz XAGYDRVYDUUZCP-QFOLPQNPSA-N 2 0 277.315 -0.887 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CC1(F)F)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219621703 824861358 /nfs/dbraw/zinc/86/13/58/824861358.db2.gz FHMARUSMVPWLTK-WCABBAIRSA-N 2 0 295.305 -0.590 20 0 CBADRP CC(C)C[C@H](CO)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001219630886 824865065 /nfs/dbraw/zinc/86/50/65/824865065.db2.gz MGBOAGBZFSEWLC-ZJUUUORDSA-N 2 0 263.407 -0.471 20 0 CBADRP CC(C)C[C@H](CO)NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001219631039 824865371 /nfs/dbraw/zinc/86/53/71/824865371.db2.gz QAXMSBORVDMZDS-VXGBXAGGSA-N 2 0 257.378 -0.164 20 0 CBADRP C[C@H]1OCC[C@H]1CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219633781 824867372 /nfs/dbraw/zinc/86/73/72/824867372.db2.gz DWGVXMZNHWNCDX-OUAUKWLOSA-N 2 0 253.346 -0.663 20 0 CBADRP C[C@H]1OCC[C@H]1CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219636348 824868368 /nfs/dbraw/zinc/86/83/68/824868368.db2.gz ZHWVGALQZSDJBQ-MDZLAQPJSA-N 2 0 284.404 -0.722 20 0 CBADRP Cn1cnc(CCNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c1 ZINC001219634262 824868496 /nfs/dbraw/zinc/86/84/96/824868496.db2.gz QVAASLVQSJPMFK-GFCCVEGCSA-N 2 0 265.361 -0.594 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[NH2+]C[C@@H](O)C2)C1 ZINC001219641656 824869458 /nfs/dbraw/zinc/86/94/58/824869458.db2.gz JWKCBXDXFOLQLI-USZNOCQGSA-N 2 0 255.362 -0.681 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])Cc2cncn2C)C1 ZINC001219640871 824869685 /nfs/dbraw/zinc/86/96/85/824869685.db2.gz CMIUTWXUVXLVAZ-GVXVVHGQSA-N 2 0 279.388 -0.348 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001219641930 824869764 /nfs/dbraw/zinc/86/97/64/824869764.db2.gz MZJJBTTYQHWYNH-HBNTYKKESA-N 2 0 285.392 -0.876 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[NH2+]CCCO2)C1 ZINC001219641634 824870007 /nfs/dbraw/zinc/87/00/07/824870007.db2.gz JRIKRHZUMLKJBK-TUAOUCFPSA-N 2 0 255.362 -0.273 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1 ZINC001219641155 824870117 /nfs/dbraw/zinc/87/01/17/824870117.db2.gz GBIQAMQGLKRTSA-KSFQGOMNSA-N 2 0 266.389 -0.430 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2C[NH2+]CCCO2)C1 ZINC001219641632 824870347 /nfs/dbraw/zinc/87/03/47/824870347.db2.gz JRIKRHZUMLKJBK-SRVKXCTJSA-N 2 0 255.362 -0.273 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001219641870 824870395 /nfs/dbraw/zinc/87/03/95/824870395.db2.gz MHGKWTSAOFDAGQ-FMCLSXCISA-N 2 0 266.389 -0.700 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])CO2)C1 ZINC001219645951 824871849 /nfs/dbraw/zinc/87/18/49/824871849.db2.gz OCCVNUZCAFOVQX-KXNHARMFSA-N 2 0 255.362 -0.146 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC001219642785 824872209 /nfs/dbraw/zinc/87/22/09/824872209.db2.gz XTEAFEGDZMISEY-SDDRHHMPSA-N 2 0 267.373 -0.131 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001219646607 824873008 /nfs/dbraw/zinc/87/30/08/824873008.db2.gz VXQNARYQZWKPOL-SRVKXCTJSA-N 3 0 256.394 -0.196 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)C2(O)CC[NH+](C)CC2)C1 ZINC001219646393 824873413 /nfs/dbraw/zinc/87/34/13/824873413.db2.gz SJSQOIRNASRBKY-RYUDHWBXSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001219650545 824873476 /nfs/dbraw/zinc/87/34/76/824873476.db2.gz PFYMUAQPXGCUPW-SRVKXCTJSA-N 2 0 282.388 -0.702 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219650983 824873712 /nfs/dbraw/zinc/87/37/12/824873712.db2.gz SEXOSVBUICOMMT-MNXVOIDGSA-N 2 0 298.431 -0.162 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001219648997 824873780 /nfs/dbraw/zinc/87/37/80/824873780.db2.gz CZQMDVGJSZIKCA-OUCADQQQSA-N 3 0 297.447 -0.901 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219651624 824874627 /nfs/dbraw/zinc/87/46/27/824874627.db2.gz WXKWJBOSHXBLAY-AVGNSLFASA-N 2 0 298.431 -0.162 20 0 CBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219651888 824874999 /nfs/dbraw/zinc/87/49/99/824874999.db2.gz YSWRDHNVPSCYLV-UBHSHLNASA-N 2 0 298.431 -0.018 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)c2ncn3c2C[NH2+]CC3)C1 ZINC001219661238 824875408 /nfs/dbraw/zinc/87/54/08/824875408.db2.gz ALKOSKLSGZNBON-WDEREUQCSA-N 2 0 277.372 -0.038 20 0 CBADRP C[C@@H]1C[C@@H](CNC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C[NH2+]1 ZINC001219683939 824878514 /nfs/dbraw/zinc/87/85/14/824878514.db2.gz HMQXWEBVTXKXCV-CJJWORHMSA-N 2 0 252.362 -0.678 20 0 CBADRP C[C@@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])Cc2cncn2C)C[NH2+]1 ZINC001219683768 824878529 /nfs/dbraw/zinc/87/85/29/824878529.db2.gz DRLQHSONASUYKT-FOGDFJRCSA-N 2 0 265.361 -0.596 20 0 CBADRP CCOC(=O)c1nc[nH]c1CNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219676742 824878955 /nfs/dbraw/zinc/87/89/55/824878955.db2.gz VJQZMQMWEHAQCC-VIFPVBQESA-N 2 0 297.359 -0.341 20 0 CBADRP CN(C(=O)CCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C1CC1 ZINC001219693105 824881210 /nfs/dbraw/zinc/88/12/10/824881210.db2.gz NRBPXTBCFPXWSZ-CYBMUJFWSA-N 2 0 282.388 -0.560 20 0 CBADRP CN(C(=O)CCNC(=O)C[C@@H]([NH3+])CCCC[NH3+])C1CC1 ZINC001219693412 824882148 /nfs/dbraw/zinc/88/21/48/824882148.db2.gz WWNSOOJWGVGDSI-NSHDSACASA-N 2 0 284.404 -0.040 20 0 CBADRP O=C(NCCC1(O)C[NH2+]C1)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001219696259 824882155 /nfs/dbraw/zinc/88/21/55/824882155.db2.gz FASYOENUXDKVFN-WFASDCNBSA-N 2 0 297.399 -0.624 20 0 CBADRP O=C(NCCC1(O)C[NH2+]C1)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001219696256 824882330 /nfs/dbraw/zinc/88/23/30/824882330.db2.gz FASYOENUXDKVFN-DOMZBBRYSA-N 2 0 297.399 -0.624 20 0 CBADRP Cn1cccc1CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219698951 824882928 /nfs/dbraw/zinc/88/29/28/824882928.db2.gz KWDLXNUHOUAYSS-ZDUSSCGKSA-N 2 0 279.388 -0.608 20 0 CBADRP N[C@]1(C(=O)NCc2ccc3c(c2)CC[NH2+]C3)CC[NH2+]C1 ZINC001219705209 824883394 /nfs/dbraw/zinc/88/33/94/824883394.db2.gz DSVKXGATSNMKEO-OAHLLOKOSA-N 2 0 274.368 -0.361 20 0 CBADRP Nc1nc(=O)[nH]cc1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219701757 824883537 /nfs/dbraw/zinc/88/35/37/824883537.db2.gz PQSBXPHLUBKPLL-QMMMGPOBSA-N 2 0 292.343 -0.423 20 0 CBADRP C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714688 824885007 /nfs/dbraw/zinc/88/50/07/824885007.db2.gz UBDHZCFJBQSILY-YNEHKIRRSA-N 2 0 297.786 -0.081 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC001219714180 824885177 /nfs/dbraw/zinc/88/51/77/824885177.db2.gz GWEFTPVMPRPOCS-LXTVHRRPSA-N 2 0 289.379 -0.029 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1C[NH2+]C[C@@H](c2ccccc2)C1 ZINC001219714709 824885623 /nfs/dbraw/zinc/88/56/23/824885623.db2.gz VHVFHNVNTDSYHM-BYNSBNAKSA-N 2 0 289.379 -0.171 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CC)C[C@@H]1O ZINC001219724394 824886475 /nfs/dbraw/zinc/88/64/75/824886475.db2.gz JPKAQWXXYAMAFE-UTUOFQBUSA-N 2 0 275.368 -0.153 20 0 CBADRP [NH3+][C@H](Cc1ccccc1F)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720370 824886534 /nfs/dbraw/zinc/88/65/34/824886534.db2.gz KIRDOZQYKCLMFO-GRYCIOLGSA-N 2 0 267.304 -0.462 20 0 CBADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219719977 824886853 /nfs/dbraw/zinc/88/68/53/824886853.db2.gz CAZNPBCYWMHYDV-LPEHRKFASA-N 2 0 287.360 -0.852 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])CC(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219719973 824887357 /nfs/dbraw/zinc/88/73/57/824887357.db2.gz BZMMUMOSNDIOGR-KXUCPTDWSA-N 2 0 259.350 -0.639 20 0 CBADRP [NH3+][C@@H](CC1CCC1)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737268 824888181 /nfs/dbraw/zinc/88/81/81/824888181.db2.gz RRNIPGILGCEECE-RYUDHWBXSA-N 2 0 267.373 -0.001 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741494 824888449 /nfs/dbraw/zinc/88/84/49/824888449.db2.gz MBBJOENPRBWKPQ-NEPJUHHUSA-N 3 0 284.404 -0.530 20 0 CBADRP Nc1nc(=O)c(F)cn1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219741185 824888588 /nfs/dbraw/zinc/88/85/88/824888588.db2.gz CCMHVGVBUKCLIV-ZETCQYMHSA-N 2 0 257.269 -0.696 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)n1cc(F)c(=O)nc1N ZINC001219741952 824889347 /nfs/dbraw/zinc/88/93/47/824889347.db2.gz YSSBHEZUBQGAPC-QMMMGPOBSA-N 2 0 271.296 -0.436 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744032 824889611 /nfs/dbraw/zinc/88/96/11/824889611.db2.gz QUTXEOFPOBYYAA-OLZOCXBDSA-N 2 0 297.399 -0.218 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219750276 824889782 /nfs/dbraw/zinc/88/97/82/824889782.db2.gz ZTFKYHWPXZPFRO-WDEREUQCSA-N 2 0 292.387 -0.224 20 0 CBADRP N[C@]1(C(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)O2)CCC[NH2+]C1 ZINC001219743859 824889877 /nfs/dbraw/zinc/88/98/77/824889877.db2.gz NZDODGPABSWCNM-SWLSCSKDSA-N 2 0 296.415 -0.515 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743934 824890558 /nfs/dbraw/zinc/89/05/58/824890558.db2.gz PPQBEXJLBCHRMG-ZDUSSCGKSA-N 2 0 296.415 -0.691 20 0 CBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1CC[NH2+]C[C@@H]1F ZINC001219749883 824890631 /nfs/dbraw/zinc/89/06/31/824890631.db2.gz SMEFVBRWJOWNGS-UWVGGRQHSA-N 2 0 296.350 -0.665 20 0 CBADRP N[C@@]1(C(=O)NC[C@]2(F)CCC[NH2+]C2)CCC[NH2+]C1 ZINC001219768955 824891523 /nfs/dbraw/zinc/89/15/23/824891523.db2.gz RJTQZEBCUWNWQT-RYUDHWBXSA-N 2 0 258.341 -0.725 20 0 CBADRP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219768416 824891656 /nfs/dbraw/zinc/89/16/56/824891656.db2.gz MMHXHGFIGFPXNK-WCFLWFBJSA-N 2 0 270.352 -0.854 20 0 CBADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)C1CC[NH2+]CC1 ZINC001219765054 824891761 /nfs/dbraw/zinc/89/17/61/824891761.db2.gz TTWOIRYEBVHJKF-YPMHNXCESA-N 2 0 266.389 -0.604 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219771589 824892016 /nfs/dbraw/zinc/89/20/16/824892016.db2.gz PQTXISFNHJXBRK-ONGXEEELSA-N 3 0 278.397 -0.787 20 0 CBADRP C[C@@]1(C(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)CC[NH2+]C1 ZINC001219766306 824892140 /nfs/dbraw/zinc/89/21/40/824892140.db2.gz PHMVCEXBFXJROI-MBNYWOFBSA-N 2 0 266.389 -0.604 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219769147 824892186 /nfs/dbraw/zinc/89/21/86/824892186.db2.gz SZSPKNZKMJVJAJ-AJGILNDKSA-N 2 0 279.381 -0.710 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219766331 824892478 /nfs/dbraw/zinc/89/24/78/824892478.db2.gz PUEBVIARFVJRTH-NEPJUHHUSA-N 2 0 296.419 -0.950 20 0 CBADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777365 824892887 /nfs/dbraw/zinc/89/28/87/824892887.db2.gz HQDBHGSNXDZPKA-CHWSQXEVSA-N 2 0 295.383 -0.214 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)C1(O)CC[NH2+]CC1 ZINC001219775988 824892929 /nfs/dbraw/zinc/89/29/29/824892929.db2.gz SSQLQCKMZNCGHD-UHFFFAOYSA-N 2 0 267.373 -0.251 20 0 CBADRP [NH3+][C@@H](C(=O)NC1CC2(C1)CC[NH2+]CC2)C1CC[NH2+]CC1 ZINC001219777796 824893091 /nfs/dbraw/zinc/89/30/91/824893091.db2.gz QSAOGZSWUFHHRB-CYBMUJFWSA-N 3 0 280.416 -0.038 20 0 CBADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777368 824893268 /nfs/dbraw/zinc/89/32/68/824893268.db2.gz HQDBHGSNXDZPKA-OLZOCXBDSA-N 2 0 295.383 -0.214 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777268 824893766 /nfs/dbraw/zinc/89/37/66/824893766.db2.gz FKRMFEBJDIGDDI-ZDUSSCGKSA-N 2 0 280.416 -0.119 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777193 824893794 /nfs/dbraw/zinc/89/37/94/824893794.db2.gz BVBAHLUAYQVMJP-QWRGUYRKSA-N 2 0 252.362 -0.819 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1[NH2+]CC[C@@H]1O ZINC001219780372 824894331 /nfs/dbraw/zinc/89/43/31/824894331.db2.gz WHFARYAZEPAOJR-QWRGUYRKSA-N 2 0 253.346 -0.642 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219779698 824894421 /nfs/dbraw/zinc/89/44/21/824894421.db2.gz LHMSLILYCRHJLE-LBPRGKRZSA-N 2 0 266.389 -0.462 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802538 824895092 /nfs/dbraw/zinc/89/50/92/824895092.db2.gz SQPBDPNFNOXWMB-MNOVXSKESA-N 2 0 255.362 -0.348 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800942 824895295 /nfs/dbraw/zinc/89/52/95/824895295.db2.gz PETAMBFYYXKQDZ-NEPJUHHUSA-N 3 0 284.404 -0.673 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813198 824896850 /nfs/dbraw/zinc/89/68/50/824896850.db2.gz PYAASNYCIKXXOP-WGBDABJCSA-N 2 0 253.346 -0.534 20 0 CBADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)C1CC[NH2+]CC1 ZINC001219812764 824897120 /nfs/dbraw/zinc/89/71/20/824897120.db2.gz JDVCUUBYQAKZOS-AAEUAGOBSA-N 2 0 253.346 -0.662 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NCc1noc2c1C[NH2+]CC2 ZINC001219810871 824897458 /nfs/dbraw/zinc/89/74/58/824897458.db2.gz FFTZLNCBMUHKNB-SECBINFHSA-N 2 0 280.328 -0.685 20 0 CBADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@H]1CC[NH2+]C[C@@H]1F ZINC001219811704 824897696 /nfs/dbraw/zinc/89/76/96/824897696.db2.gz ZDQHJDHBXNAGTC-WPRPVWTQSA-N 2 0 282.319 -0.116 20 0 CBADRP O=C(NCc1noc2c1C[NH2+]CC2)C1CC2(C[NH2+]C2)C1 ZINC001219811479 824897918 /nfs/dbraw/zinc/89/79/18/824897918.db2.gz SVUQHHYJQIWZFL-UHFFFAOYSA-N 2 0 276.340 -0.064 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813410 824898450 /nfs/dbraw/zinc/89/84/50/824898450.db2.gz SPBZHFPZWHNFEW-OBJOEFQTSA-N 2 0 269.389 -0.027 20 0 CBADRP COCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219813731 824898484 /nfs/dbraw/zinc/89/84/84/824898484.db2.gz BLNSXVJGZIXZGU-OLZOCXBDSA-N 2 0 285.388 -0.722 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001219830288 824899921 /nfs/dbraw/zinc/89/99/21/824899921.db2.gz UMUOEISIBCONQK-MJBXVCDLSA-N 2 0 299.415 -0.596 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001219823184 824899970 /nfs/dbraw/zinc/89/99/70/824899970.db2.gz MQDVHEHONHSJCF-UWVGGRQHSA-N 2 0 283.353 -0.101 20 0 CBADRP [NH3+]CCNCC(=O)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001219826979 824900348 /nfs/dbraw/zinc/90/03/48/824900348.db2.gz XSPHRCKSMHZNSD-VIFPVBQESA-N 2 0 254.359 -0.443 20 0 CBADRP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219823270 824900420 /nfs/dbraw/zinc/90/04/20/824900420.db2.gz OJXIUMWDVHXBAN-GYSYKLTISA-N 2 0 292.408 -0.040 20 0 CBADRP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@H]1C[NH2+]CCN1 ZINC001219825264 824900432 /nfs/dbraw/zinc/90/04/32/824900432.db2.gz GHTZPWFBPPELEO-NXEZZACHSA-N 2 0 266.370 -0.430 20 0 CBADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001219831829 824900610 /nfs/dbraw/zinc/90/06/10/824900610.db2.gz ZQKGCXQUXZMOTM-LVEVGFFFSA-N 2 0 271.336 -0.430 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847737 824901266 /nfs/dbraw/zinc/90/12/66/824901266.db2.gz QVGIQXKJXUWUJO-AZQAYCESSA-N 2 0 263.288 -0.396 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219836816 824901752 /nfs/dbraw/zinc/90/17/52/824901752.db2.gz FKUBFGVFZQTNDE-DMDPSCGWSA-N 2 0 271.361 -0.908 20 0 CBADRP N[C@@H](C[NH3+])c1ccc(C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC001219856762 824903016 /nfs/dbraw/zinc/90/30/16/824903016.db2.gz ZWXACVCKDHBJCF-ZOBORPQBSA-N 2 0 290.367 -0.638 20 0 CBADRP C[C@H]1CC[NH2+][C@@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001219853989 824903477 /nfs/dbraw/zinc/90/34/77/824903477.db2.gz AUAPSTOVIQXBDX-MTVMDMGHSA-N 2 0 253.346 -0.523 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC001219865310 824905022 /nfs/dbraw/zinc/90/50/22/824905022.db2.gz LPFCTGPVHSKINE-RWMBFGLXSA-N 2 0 295.408 -0.220 20 0 CBADRP [NH3+]CCNC(=O)C[C@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC001219867931 824905805 /nfs/dbraw/zinc/90/58/05/824905805.db2.gz VRBDEPBADUVTCG-AWEZNQCLSA-N 2 0 276.384 -0.075 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O)[NH+](C)C ZINC001219874708 824906001 /nfs/dbraw/zinc/90/60/01/824906001.db2.gz DJRAFIHBRAWUSO-UTUOFQBUSA-N 2 0 275.368 -0.153 20 0 CBADRP [NH3+]CCNC(=O)[C@H]([NH3+])Cc1cn(C=O)c2ccccc12 ZINC001219867895 824906201 /nfs/dbraw/zinc/90/62/01/824906201.db2.gz VANURTGLAJEZQR-GFCCVEGCSA-N 2 0 274.324 -0.376 20 0 CBADRP [NH3+]CCNC(=O)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219872401 824906371 /nfs/dbraw/zinc/90/63/71/824906371.db2.gz CHYKNKPSTMQBRI-DOMZBBRYSA-N 2 0 274.368 -0.213 20 0 CBADRP [NH3+]CCNC(=O)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001219871002 824906496 /nfs/dbraw/zinc/90/64/96/824906496.db2.gz ZOVANZLSKNAGMC-RYUDHWBXSA-N 2 0 251.330 -0.618 20 0 CBADRP CC(C)OC(=O)[C@H](C)NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001219880449 824908165 /nfs/dbraw/zinc/90/81/65/824908165.db2.gz BCNKFYAAXKZWSA-GXSJLCMTSA-N 2 0 271.361 -0.230 20 0 CBADRP CC(=O)N1C[C@H]2C[C@@]2(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001219891498 824910867 /nfs/dbraw/zinc/91/08/67/824910867.db2.gz VVCUOBRTKGLSHX-MBNYWOFBSA-N 2 0 282.388 -0.430 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@H]1CCc2[nH]c(=O)ccc2C1 ZINC001219890124 824910937 /nfs/dbraw/zinc/91/09/37/824910937.db2.gz FJMFNCWPSDCNNX-WDEREUQCSA-N 2 0 278.356 -0.173 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219916202 824913770 /nfs/dbraw/zinc/91/37/70/824913770.db2.gz NRFUIJGNHWKPFE-NQBHXWOUSA-N 3 0 254.378 -0.748 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001219918717 824915112 /nfs/dbraw/zinc/91/51/12/824915112.db2.gz PYKUGCIGNJOTGZ-OCCSQVGLSA-N 2 0 285.388 -0.767 20 0 CBADRP Cc1c[nH]c(CCNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001219951760 824920524 /nfs/dbraw/zinc/92/05/24/824920524.db2.gz AIRWMFLDNHBHSR-JTQLQIEISA-N 2 0 263.345 -0.814 20 0 CBADRP Cc1c[nH]c(CCNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001219952024 824920784 /nfs/dbraw/zinc/92/07/84/824920784.db2.gz LSSZTPAVGMCCPO-GFCCVEGCSA-N 2 0 294.403 -0.873 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001219954877 824923192 /nfs/dbraw/zinc/92/31/92/824923192.db2.gz WGSJLOQOLAXPES-WFASDCNBSA-N 2 0 280.416 -0.072 20 0 CBADRP [NH3+][C@H](C(=O)NCC(=O)NC1CCCC1)C1CC[NH2+]CC1 ZINC001219976118 824927745 /nfs/dbraw/zinc/92/77/45/824927745.db2.gz AXOGFPRGZYTLND-ZDUSSCGKSA-N 2 0 282.388 -0.512 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001219980498 824928725 /nfs/dbraw/zinc/92/87/25/824928725.db2.gz JIFRXSCYTJWWFM-RYUDHWBXSA-N 3 0 288.461 -0.146 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC001219980767 824928912 /nfs/dbraw/zinc/92/89/12/824928912.db2.gz OVOCMELPIWSJGO-WOPDTQHZSA-N 2 0 255.362 -0.443 20 0 CBADRP COC(=O)C1(NC(=O)[C@@H]2CC[NH2+]C[C@H]2F)CC[NH2+]CC1 ZINC001220001807 824930638 /nfs/dbraw/zinc/93/06/38/824930638.db2.gz XNVCYSKIPBTAEK-NXEZZACHSA-N 2 0 287.335 -0.655 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1cncnc1 ZINC001220007326 824933143 /nfs/dbraw/zinc/93/31/43/824933143.db2.gz LZYIJCNGBQZMLV-NSHDSACASA-N 2 0 251.334 -0.190 20 0 CBADRP O=C(NC1(CO)CCOCC1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220018586 824935064 /nfs/dbraw/zinc/93/50/64/824935064.db2.gz JRDRQTCVIFOLOK-LBPRGKRZSA-N 2 0 297.399 -0.482 20 0 CBADRP N[C@@H](C[NH3+])C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001220020695 824935946 /nfs/dbraw/zinc/93/59/46/824935946.db2.gz RRDOWCRTHNNKBY-LBPRGKRZSA-N 2 0 278.356 -0.971 20 0 CBADRP [NH3+]CCNCC(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001220022612 824936123 /nfs/dbraw/zinc/93/61/23/824936123.db2.gz JCHLQDMKWMDKNR-UHFFFAOYSA-N 2 0 292.383 -0.709 20 0 CBADRP N=c1cc(C[NH3+])ncn1C(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001220020765 824936507 /nfs/dbraw/zinc/93/65/07/824936507.db2.gz VBNSVKYKWPFZOC-BDAKNGLRSA-N 2 0 253.281 -0.591 20 0 CBADRP N=c1cc(C[NH3+])ncn1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220020541 824936991 /nfs/dbraw/zinc/93/69/91/824936991.db2.gz MISKFZBBYTUSMM-VIFPVBQESA-N 3 0 266.349 -0.692 20 0 CBADRP N=c1cc(C[NH3+])ncn1C(=O)[C@@H]([NH3+])Cc1cccc(O)c1 ZINC001220020838 824937069 /nfs/dbraw/zinc/93/70/69/824937069.db2.gz XSBDFARORJIHBT-LBPRGKRZSA-N 2 0 287.323 -0.263 20 0 CBADRP CC(C)[C@](C)(NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C(N)=O ZINC001220023437 824937833 /nfs/dbraw/zinc/93/78/33/824937833.db2.gz YVCIFDMWFADZDT-MFKMUULPSA-N 2 0 270.377 -0.671 20 0 CBADRP N=c1sc2c(n1C(=O)[C@H]1C[NH2+]C[C@@H]1N)CC[C@H]([NH3+])C2 ZINC001220025885 824938275 /nfs/dbraw/zinc/93/82/75/824938275.db2.gz ZXILKJKQUDZXNG-FXQIFTODSA-N 2 0 281.385 -0.968 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001220043058 824941588 /nfs/dbraw/zinc/94/15/88/824941588.db2.gz CXICPQJBBBUWIU-NXEZZACHSA-N 2 0 267.308 -0.283 20 0 CBADRP N=c1cc(C[NH3+])ccn1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220044885 824941919 /nfs/dbraw/zinc/94/19/19/824941919.db2.gz CSHSLBFUUAVTJC-JTQLQIEISA-N 3 0 251.334 -0.477 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220043188 824942183 /nfs/dbraw/zinc/94/21/83/824942183.db2.gz IMQSKAHBCCVAKE-NSHDSACASA-N 3 0 278.360 -0.903 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)n1ccc(C[NH3+])cc1=N ZINC001220044819 824942316 /nfs/dbraw/zinc/94/23/16/824942316.db2.gz AKIMPBDLXSVXRL-YYSFKGJASA-N 2 0 270.358 -0.838 20 0 CBADRP N=c1cc(C[NH3+])ccn1C(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220045365 824943609 /nfs/dbraw/zinc/94/36/09/824943609.db2.gz XEBIVGYQTRKCPA-MFKMUULPSA-N 2 0 261.329 -0.982 20 0 CBADRP C[NH2+]CCNC(=O)[C@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001220052792 824945322 /nfs/dbraw/zinc/94/53/22/824945322.db2.gz CNEZTPSFLLUKQG-IAQYHMDHSA-N 2 0 288.351 -0.569 20 0 CBADRP C[NH2+]CCNC(=O)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001220051109 824946006 /nfs/dbraw/zinc/94/60/06/824946006.db2.gz JKPNPIQOMLSSMW-LLVKDONJSA-N 2 0 277.372 -0.530 20 0 CBADRP C[NH2+]CCNC(=O)[C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001220052794 824946032 /nfs/dbraw/zinc/94/60/32/824946032.db2.gz CNEZTPSFLLUKQG-XHDPSFHLSA-N 2 0 288.351 -0.569 20 0 CBADRP Cc1nc(N)ccc1CNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220069519 824949150 /nfs/dbraw/zinc/94/91/50/824949150.db2.gz BUAXRLLOXMKDGW-SNVBAGLBSA-N 2 0 251.334 -0.345 20 0 CBADRP C[NH2+]CCCCNC(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001220077638 824950491 /nfs/dbraw/zinc/95/04/91/824950491.db2.gz QXAABFHMHBUCNQ-NSHDSACASA-N 2 0 253.350 -0.594 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCCCC[NH2+]C ZINC001220077370 824950689 /nfs/dbraw/zinc/95/06/89/824950689.db2.gz HLIWDUNLEQMAKB-JQWIXIFHSA-N 2 0 272.393 -0.408 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C1CC2(C[NH2+]C2)C1 ZINC001220103426 824954574 /nfs/dbraw/zinc/95/45/74/824954574.db2.gz RJADDJABRNJPOB-UHFFFAOYSA-N 3 0 253.350 -0.553 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220103073 824955123 /nfs/dbraw/zinc/95/51/23/824955123.db2.gz FODWICYBBAYCHX-LLVKDONJSA-N 4 0 296.419 -0.678 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001220103163 824955503 /nfs/dbraw/zinc/95/55/03/824955503.db2.gz JBVAENHFULUINE-RKDXNWHRSA-N 3 0 259.329 -0.605 20 0 CBADRP N=C(NC(=O)[C@H]([NH3+])Cc1cnc[nH]1)SCC[NH3+] ZINC001220106215 824956142 /nfs/dbraw/zinc/95/61/42/824956142.db2.gz FSAGPYJPYXWHKQ-SSDOTTSWSA-N 2 0 256.335 -0.978 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NC(=N)SCC[NH3+] ZINC001220106166 824956441 /nfs/dbraw/zinc/95/64/41/824956441.db2.gz DDCLSJBPSOPONA-ZETCQYMHSA-N 2 0 262.379 -0.128 20 0 CBADRP CCC(CO)(CO)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220110057 824956674 /nfs/dbraw/zinc/95/66/74/824956674.db2.gz QAMAMWPVZAFYPO-NSHDSACASA-N 2 0 285.388 -0.890 20 0 CBADRP NC(=[NH2+])N(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1ccccc1F ZINC001220106630 824957290 /nfs/dbraw/zinc/95/72/90/824957290.db2.gz VRPAMFMTVMLUFT-VIFPVBQESA-N 3 0 291.330 -0.139 20 0 CBADRP N=C(NC(=O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)SCC[NH3+] ZINC001220106693 824957332 /nfs/dbraw/zinc/95/73/32/824957332.db2.gz YCVZDLHEQZSAIB-MNOVXSKESA-N 2 0 299.444 -0.197 20 0 CBADRP NC(=[NH2+])N(C(=O)C[C@H](O)C[NH3+])c1ccccc1F ZINC001220106228 824957340 /nfs/dbraw/zinc/95/73/40/824957340.db2.gz GDEQFSKTVMHEDE-ZETCQYMHSA-N 2 0 254.265 -0.238 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@@H](O)c1ccc(O)cc1)C1CC[NH2+]CC1 ZINC001220113332 824958797 /nfs/dbraw/zinc/95/87/97/824958797.db2.gz QLTAXJGWXGAYLT-KGLIPLIRSA-N 2 0 293.367 -0.131 20 0 CBADRP [NH3+][C@@H](C(=O)NC[C@@H](O)c1ccc(O)cc1)C1CC[NH2+]CC1 ZINC001220113334 824959076 /nfs/dbraw/zinc/95/90/76/824959076.db2.gz QLTAXJGWXGAYLT-ZIAGYGMSSA-N 2 0 293.367 -0.131 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H](CO)Cc1ccc(O)cc1 ZINC001220118051 824959845 /nfs/dbraw/zinc/95/98/45/824959845.db2.gz RPPCCJDTZUKZJK-OCCSQVGLSA-N 2 0 295.383 -0.132 20 0 CBADRP Cc1cnc(=O)[nH]c1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220124693 824960730 /nfs/dbraw/zinc/96/07/30/824960730.db2.gz HSHXGJZSTHKCEO-SNVBAGLBSA-N 2 0 294.359 -0.820 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCCC1CCS(=O)(=O)CC1 ZINC001220141622 824966479 /nfs/dbraw/zinc/96/64/79/824966479.db2.gz ONBYARKEIXVUMU-LLVKDONJSA-N 2 0 291.417 -0.616 20 0 CBADRP CO[C@@H]1COCC[C@H]1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220141139 824966732 /nfs/dbraw/zinc/96/67/32/824966732.db2.gz HTECDNJQKQYWAV-QJPTWQEYSA-N 2 0 273.377 -0.247 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220149732 824968719 /nfs/dbraw/zinc/96/87/19/824968719.db2.gz AKIVPZNJJFUUJH-YFKTTZPYSA-N 2 0 284.404 -0.282 20 0 CBADRP O=C(NCc1cn[nH]c1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220148267 824969257 /nfs/dbraw/zinc/96/92/57/824969257.db2.gz SWXNBCSBJCJWLH-LLVKDONJSA-N 2 0 263.345 -0.100 20 0 CBADRP [NH3+]CC1(NC(=O)[C@@H]([NH3+])Cc2cccc(O)c2)COC1 ZINC001220154097 824970963 /nfs/dbraw/zinc/97/09/63/824970963.db2.gz KSJWKIWHIWKPIH-NSHDSACASA-N 2 0 265.313 -0.894 20 0 CBADRP [NH3+]CC1(NC(=O)[C@H]2CO[C@]3(C2)CCC[NH2+]CC3)COC1 ZINC001220154157 824971185 /nfs/dbraw/zinc/97/11/85/824971185.db2.gz MPEHKTXJZDJAKT-BXUZGUMPSA-N 2 0 283.372 -0.621 20 0 CBADRP [NH3+]CC1(NC(=O)[C@@H]2CO[C@@]3(C2)CCC[NH2+]CC3)COC1 ZINC001220154158 824971241 /nfs/dbraw/zinc/97/12/41/824971241.db2.gz MPEHKTXJZDJAKT-FZMZJTMJSA-N 2 0 283.372 -0.621 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001220156943 824972454 /nfs/dbraw/zinc/97/24/54/824972454.db2.gz RAWGMMGWUZKZNE-FIQHERPVSA-N 2 0 252.362 -0.853 20 0 CBADRP CC(C)N1CC(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001220158665 824973295 /nfs/dbraw/zinc/97/32/95/824973295.db2.gz CYTAEOIZECASBE-BXUZGUMPSA-N 2 0 266.389 -0.606 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220160007 824974189 /nfs/dbraw/zinc/97/41/89/824974189.db2.gz UVPHJFFAWPKXKN-NQBHXWOUSA-N 2 0 255.362 -0.265 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220163032 824974999 /nfs/dbraw/zinc/97/49/99/824974999.db2.gz OEUKAQCJROGMAW-GMXVVIOVSA-N 2 0 254.378 -0.299 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220161704 824975197 /nfs/dbraw/zinc/97/51/97/824975197.db2.gz FFJSLRHENJUSDE-GXTWGEPZSA-N 3 0 268.405 -0.037 20 0 CBADRP CCC1(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)COC1 ZINC001220170480 824976337 /nfs/dbraw/zinc/97/63/37/824976337.db2.gz LKMCOMITWDBOAH-GFCCVEGCSA-N 2 0 284.404 -0.720 20 0 CBADRP Cc1ncc(CNC(=O)[C@@H]([NH3+])CCCC[NH3+])cn1 ZINC001220176226 824978085 /nfs/dbraw/zinc/97/80/85/824978085.db2.gz FMBOCLZDCOYLLC-NSHDSACASA-N 2 0 251.334 -0.142 20 0 CBADRP C[C@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1cncnc1 ZINC001220183687 824981452 /nfs/dbraw/zinc/98/14/52/824981452.db2.gz XARMDOIKBXOQTI-GXSJLCMTSA-N 2 0 261.329 -0.537 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)NC[C@@H]1CCNCC1(F)F ZINC001220189066 824982284 /nfs/dbraw/zinc/98/22/84/824982284.db2.gz LBIACAQCHLCDLF-VIFPVBQESA-N 2 0 264.320 -0.714 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H](O)C1 ZINC001220191149 824982512 /nfs/dbraw/zinc/98/25/12/824982512.db2.gz ALGWRPUAMXZAGN-TUAOUCFPSA-N 2 0 257.378 -0.067 20 0 CBADRP CCOC(=O)CC1(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)COC1 ZINC001220214569 824987326 /nfs/dbraw/zinc/98/73/26/824987326.db2.gz DFMQVDAVFZWTQF-GFCCVEGCSA-N 2 0 299.371 -0.848 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001220221074 824989742 /nfs/dbraw/zinc/98/97/42/824989742.db2.gz POGBDVIOAFHBQU-NOOOWODRSA-N 2 0 255.362 -0.444 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220220764 824989992 /nfs/dbraw/zinc/98/99/92/824989992.db2.gz DNTYSHPHMAKDLS-SRVKXCTJSA-N 3 0 288.461 -0.005 20 0 CBADRP CC(C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229279 824991067 /nfs/dbraw/zinc/99/10/67/824991067.db2.gz VSMPJUUBGBNHOM-NEPJUHHUSA-N 2 0 269.389 -0.102 20 0 CBADRP CN1C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CC1=O ZINC001220245224 824993009 /nfs/dbraw/zinc/99/30/09/824993009.db2.gz KPAJYIVEDUNEKN-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP O=C(NCCc1cnccn1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220243266 824993456 /nfs/dbraw/zinc/99/34/56/824993456.db2.gz QPTWKANHGDGWOK-BXUZGUMPSA-N 2 0 275.356 -0.666 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001220252007 824996127 /nfs/dbraw/zinc/99/61/27/824996127.db2.gz LLCCBTGACVVGKV-WCQYABFASA-N 2 0 254.378 -0.332 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220252267 824996145 /nfs/dbraw/zinc/99/61/45/824996145.db2.gz UDWCYASKTATQHN-OUCADQQQSA-N 2 0 266.389 -0.462 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220254740 824996363 /nfs/dbraw/zinc/99/63/63/824996363.db2.gz VWMPQXFKWRFNAA-SNVBAGLBSA-N 2 0 287.408 -0.534 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC001220253979 824997051 /nfs/dbraw/zinc/99/70/51/824997051.db2.gz HUSPXDZYSDLJGN-JTQLQIEISA-N 2 0 259.350 -0.419 20 0 CBADRP [NH3+]CCN(C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1cccnc1 ZINC001220260982 824998135 /nfs/dbraw/zinc/99/81/35/824998135.db2.gz MTNQYBYEYLCAQD-IUODEOHRSA-N 3 0 289.383 -0.428 20 0 CBADRP [NH3+]CCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)c1cccnc1 ZINC001220263444 824999557 /nfs/dbraw/zinc/99/95/57/824999557.db2.gz KDQFFJKYJCWOAX-CYBMUJFWSA-N 3 0 277.372 -0.300 20 0 CBADRP C[N@@H+]1CCCN(CCNC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC001220306450 825009101 /nfs/dbraw/zinc/00/91/01/825009101.db2.gz KPJNNQHDMQHKQZ-CYBMUJFWSA-N 2 0 284.404 -0.881 20 0 CBADRP C[C@H](NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)c1cnn(C)c1 ZINC001220308570 825012748 /nfs/dbraw/zinc/01/27/48/825012748.db2.gz LZYMBHOYLWKMCU-JOYOIKCWSA-N 2 0 265.361 -0.076 20 0 CBADRP O=C(N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001220317037 825013714 /nfs/dbraw/zinc/01/37/14/825013714.db2.gz VDJHLCKLPVCXCX-JLDUMIBSSA-N 2 0 265.357 -0.521 20 0 CBADRP [NH3+][C@H](C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)C1CC[NH2+]CC1 ZINC001220319149 825014176 /nfs/dbraw/zinc/01/41/76/825014176.db2.gz DIPINENMSIWVRQ-YDHLFZDLSA-N 3 0 296.415 -0.659 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316890 825014235 /nfs/dbraw/zinc/01/42/35/825014235.db2.gz UMJBYDSKNMAEMN-DYEKYZERSA-N 2 0 293.371 -0.693 20 0 CBADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001220319907 825014913 /nfs/dbraw/zinc/01/49/13/825014913.db2.gz JZYIBSDKNKAEAV-KZVDOYCCSA-N 2 0 285.363 -0.039 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cc(C)cc(=O)n1N ZINC001220324069 825015176 /nfs/dbraw/zinc/01/51/76/825015176.db2.gz WLGWRAUKNPXSAB-JTQLQIEISA-N 2 0 281.360 -0.474 20 0 CBADRP COc1ccc(CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)nn1 ZINC001220343560 825019986 /nfs/dbraw/zinc/01/99/86/825019986.db2.gz SGKFQLTWGSSIBB-LBPRGKRZSA-N 2 0 279.344 -0.572 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[NH+](C)CC1 ZINC001220345916 825020514 /nfs/dbraw/zinc/02/05/14/825020514.db2.gz SNFWFFDCSPOWBL-GDNZZTSVSA-N 2 0 295.383 -0.405 20 0 CBADRP C[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1cnccn1 ZINC001220369112 825021784 /nfs/dbraw/zinc/02/17/84/825021784.db2.gz STOWUNDXBIGUGP-IUCAKERBSA-N 2 0 269.374 -0.327 20 0 CBADRP C[C@H](NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)c1cnccn1 ZINC001220369084 825021813 /nfs/dbraw/zinc/02/18/13/825021813.db2.gz SMEUISVCSDFPSK-CABZTGNLSA-N 2 0 263.345 -0.019 20 0 CBADRP COC(=O)c1n[nH]cc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220373645 825023031 /nfs/dbraw/zinc/02/30/31/825023031.db2.gz VZPJIQDIOSKGIB-VIFPVBQESA-N 2 0 281.316 -0.538 20 0 CBADRP C[C@@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)c1cnccn1 ZINC001220371606 825024029 /nfs/dbraw/zinc/02/40/29/825024029.db2.gz XFNOFCUXBVABMR-ZYHUDNBSSA-N 2 0 292.387 -0.596 20 0 CBADRP CN1CCOC[C@@H]1CNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220382413 825025823 /nfs/dbraw/zinc/02/58/23/825025823.db2.gz WLIGPKBAEYQGOV-STQMWFEESA-N 2 0 286.420 -0.508 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394907 825027964 /nfs/dbraw/zinc/02/79/64/825027964.db2.gz PWJKJXHLCDVZKJ-WLRWDXFRSA-N 2 0 287.429 -0.316 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NCC12CC[NH+](CC1)CC2 ZINC001220394316 825028581 /nfs/dbraw/zinc/02/85/81/825028581.db2.gz FEFRLRCBNJRPGZ-GFCCVEGCSA-N 2 0 267.373 -0.033 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001220405726 825031445 /nfs/dbraw/zinc/03/14/45/825031445.db2.gz CKGUWCTYHORSLS-UTUOFQBUSA-N 2 0 283.372 -0.229 20 0 CBADRP Cn1c(=O)cc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])[nH]c1=O ZINC001220424613 825035307 /nfs/dbraw/zinc/03/53/07/825035307.db2.gz MWAZVKAXHWEOJP-QMMMGPOBSA-N 2 0 283.332 -0.729 20 0 CBADRP C[Si](C)(C)CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220418296 825035679 /nfs/dbraw/zinc/03/56/79/825035679.db2.gz ITOVJJMQQFNSFY-LLVKDONJSA-N 2 0 272.469 -0.270 20 0 CBADRP O=C(NCc1ccc2n[nH]nc2c1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220426592 825036869 /nfs/dbraw/zinc/03/68/69/825036869.db2.gz KFTIWLDHFZDMOH-SNVBAGLBSA-N 2 0 286.339 -0.617 20 0 CBADRP CSc1nc(NC(=O)[C@H]([NH3+])CCC[NH3+])cc(=O)n1C ZINC001220435205 825038477 /nfs/dbraw/zinc/03/84/77/825038477.db2.gz CRXKFWKPJWCFFJ-SSDOTTSWSA-N 2 0 285.373 -0.493 20 0 CBADRP [NH3+][C@H](C(=O)NC1CCN(CCF)CC1)C1CC[NH2+]CC1 ZINC001220436272 825038580 /nfs/dbraw/zinc/03/85/80/825038580.db2.gz SWBXOJFNSPYQQD-ZDUSSCGKSA-N 2 0 286.395 -0.137 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](CO)C(F)(F)F ZINC001220447062 825038963 /nfs/dbraw/zinc/03/89/63/825038963.db2.gz BSPISFCLUMZCEH-YUMQZZPRSA-N 2 0 271.283 -0.257 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC1CCN(CCF)CC1 ZINC001220436458 825039414 /nfs/dbraw/zinc/03/94/14/825039414.db2.gz WJSKBCZWDRYEJC-NSHDSACASA-N 3 0 292.424 -0.444 20 0 CBADRP COCCOc1ccc(CNC(=O)[C@@H]([NH3+])CCC[NH3+])cn1 ZINC001220458602 825043531 /nfs/dbraw/zinc/04/35/31/825043531.db2.gz XADOUOWMBPPEKD-LBPRGKRZSA-N 2 0 296.371 -0.211 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCC(=O)Cc1ccccc1 ZINC001220462604 825044966 /nfs/dbraw/zinc/04/49/66/825044966.db2.gz IBFJTXPEKBPGPC-CYBMUJFWSA-N 2 0 263.341 -0.019 20 0 CBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)O1 ZINC001220481384 825046511 /nfs/dbraw/zinc/04/65/11/825046511.db2.gz FNTIPXTYLPFTLB-OZJFSBSRSA-N 2 0 283.372 -0.707 20 0 CBADRP CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220479245 825046555 /nfs/dbraw/zinc/04/65/55/825046555.db2.gz DUFUCTQBECOFRW-UWVGGRQHSA-N 2 0 289.376 -0.739 20 0 CBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2CCC[C@H]2[NH3+])O1 ZINC001220481465 825046778 /nfs/dbraw/zinc/04/67/78/825046778.db2.gz IBLNJZSRHQZXIC-CBLPJQPBSA-N 2 0 285.388 -0.045 20 0 CBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001220499710 825050185 /nfs/dbraw/zinc/05/01/85/825050185.db2.gz BJCZIIJJXNIXDZ-NEPJUHHUSA-N 2 0 293.371 -0.422 20 0 CBADRP N[C@]1(C(=O)NC[C@H]([NH3+])c2ccccc2)CCC[NH2+]C1 ZINC001220499768 825051180 /nfs/dbraw/zinc/05/11/80/825051180.db2.gz CSZXETAUFVCJIQ-GXTWGEPZSA-N 2 0 262.357 -0.117 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001220499724 825051959 /nfs/dbraw/zinc/05/19/59/825051959.db2.gz BTPXYHKRACSNRN-SYTFOFBDSA-N 2 0 283.397 -0.102 20 0 CBADRP [NH3+][C@H](CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1ccccc1 ZINC001220499990 825052129 /nfs/dbraw/zinc/05/21/29/825052129.db2.gz GEBLDINUWHSWPA-CHWSQXEVSA-N 3 0 274.368 -0.388 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220499722 825052188 /nfs/dbraw/zinc/05/21/88/825052188.db2.gz BTPXYHKRACSNRN-AVCJSFLBSA-N 2 0 283.397 -0.102 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001220502005 825052313 /nfs/dbraw/zinc/05/23/13/825052313.db2.gz XHQMXLPOLPLPRV-RYUDHWBXSA-N 3 0 282.413 -0.178 20 0 CBADRP CN(CC[NH3+])CCNC(=O)[C@@]1(C)CC(C)(C)C[NH2+]1 ZINC001220515994 825053393 /nfs/dbraw/zinc/05/33/93/825053393.db2.gz NVSDQJZOXKSYNB-CYBMUJFWSA-N 2 0 256.394 -0.229 20 0 CBADRP CN(CC[NH3+])CCNC(=O)[C@]1(C)CC(C)(C)C[NH2+]1 ZINC001220515995 825054391 /nfs/dbraw/zinc/05/43/91/825054391.db2.gz NVSDQJZOXKSYNB-ZDUSSCGKSA-N 2 0 256.394 -0.229 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C2([NH3+])CC2)CC[NH2+]C1 ZINC001220521763 825055925 /nfs/dbraw/zinc/05/59/25/825055925.db2.gz NTSKFDUQDVFRGN-UHFFFAOYSA-N 2 0 253.302 -0.596 20 0 CBADRP COC(=O)C[C@H](NC(=O)[C@H]([NH3+])CCC[NH3+])c1cccnc1 ZINC001220527202 825056119 /nfs/dbraw/zinc/05/61/19/825056119.db2.gz GHYIMMPFAWFWCK-NEPJUHHUSA-N 2 0 294.355 -0.132 20 0 CBADRP C[C@@H]1COCC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220565638 825063346 /nfs/dbraw/zinc/06/33/46/825063346.db2.gz OPJQLNYNRCXOBY-NRWUCQMLSA-N 2 0 267.373 -0.273 20 0 CBADRP C[C@@H]1COCC[C@@H]1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220566142 825064169 /nfs/dbraw/zinc/06/41/69/825064169.db2.gz ZXAJXNUVIOGEMQ-VWYCJHECSA-N 2 0 253.346 -0.663 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCCN1CC2(COC2)C1 ZINC001220570964 825064420 /nfs/dbraw/zinc/06/44/20/825064420.db2.gz FHFVJIBYCIXVFH-LBPRGKRZSA-N 2 0 284.404 -0.719 20 0 CBADRP CC(C)(O)CCCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220573636 825068773 /nfs/dbraw/zinc/06/87/73/825068773.db2.gz QYTKEPHBEVFSFZ-SNVBAGLBSA-N 2 0 255.362 -0.537 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001220578879 825069154 /nfs/dbraw/zinc/06/91/54/825069154.db2.gz VLOGTDRBVCAPHE-OLZOCXBDSA-N 2 0 269.389 -0.101 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001220583806 825070496 /nfs/dbraw/zinc/07/04/96/825070496.db2.gz ZMZLIGAJFLJIKK-UWVGGRQHSA-N 2 0 275.324 -0.573 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001220585781 825070514 /nfs/dbraw/zinc/07/05/14/825070514.db2.gz YEPSIBUXHDXGTG-NXEZZACHSA-N 2 0 275.324 -0.716 20 0 CBADRP COC(=O)[C@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C(F)(F)F ZINC001220588321 825070890 /nfs/dbraw/zinc/07/08/90/825070890.db2.gz SLEIQAXWCIXBHR-RQJHMYQMSA-N 2 0 295.261 -0.985 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)CC1CC[NH2+]CC1 ZINC001220583333 825071908 /nfs/dbraw/zinc/07/19/08/825071908.db2.gz JWWAAVIWLQBPKG-UHFFFAOYSA-N 2 0 271.361 -0.274 20 0 CBADRP CN1CCC[C@H](NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1=O ZINC001220591228 825073370 /nfs/dbraw/zinc/07/33/70/825073370.db2.gz YJPABXHTBSUFJV-NEPJUHHUSA-N 2 0 294.399 -0.402 20 0 CBADRP CC(=O)N1CC(NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)C1 ZINC001220598690 825073993 /nfs/dbraw/zinc/07/39/93/825073993.db2.gz AEXBLLPKPLACBH-ZDUSSCGKSA-N 2 0 284.404 -0.171 20 0 CBADRP CN1CCC[C@H](NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1=O ZINC001220591229 825074104 /nfs/dbraw/zinc/07/41/04/825074104.db2.gz YJPABXHTBSUFJV-RYUDHWBXSA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1ncc(F)cn1 ZINC001220599631 825076541 /nfs/dbraw/zinc/07/65/41/825076541.db2.gz YXLKAARVVDTICQ-APPZFPTMSA-N 2 0 287.364 -0.188 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@@H]1NC(=O)c2ccccc21 ZINC001220619473 825077080 /nfs/dbraw/zinc/07/70/80/825077080.db2.gz IFBGSSZZXIHODY-QWRGUYRKSA-N 2 0 262.313 -0.389 20 0 CBADRP O=C(N[C@@H]1NC(=O)c2ccccc21)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220620354 825078204 /nfs/dbraw/zinc/07/82/04/825078204.db2.gz SHASYRIAFPYWPL-NEPJUHHUSA-N 2 0 286.335 -0.646 20 0 CBADRP CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220660211 825081180 /nfs/dbraw/zinc/08/11/80/825081180.db2.gz CIKFDKIZAWEGGH-WOPDTQHZSA-N 2 0 295.383 -0.357 20 0 CBADRP N[C@]1(C(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC001220680474 825085074 /nfs/dbraw/zinc/08/50/74/825085074.db2.gz DUOPUPQXGATFLJ-MPPDQPJWSA-N 2 0 252.362 -0.534 20 0 CBADRP N[C@@]1(C(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC001220680475 825085207 /nfs/dbraw/zinc/08/52/07/825085207.db2.gz DUOPUPQXGATFLJ-WGBDABJCSA-N 2 0 252.362 -0.534 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCC1Oc2ccccc2O1 ZINC001220708709 825089690 /nfs/dbraw/zinc/08/96/90/825089690.db2.gz DZFHFAMQIFBUQP-SECBINFHSA-N 2 0 265.313 -0.034 20 0 CBADRP C[C@](CO)(NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1ccccc1 ZINC001220710993 825091101 /nfs/dbraw/zinc/09/11/01/825091101.db2.gz HXAHNUKAEZSIBR-DZGCQCFKSA-N 2 0 289.379 -0.181 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)Nc1cccnc1C[NH3+] ZINC001220710763 825091877 /nfs/dbraw/zinc/09/18/77/825091877.db2.gz AYGWABUGMKRCFN-JTQLQIEISA-N 2 0 274.328 -0.218 20 0 CBADRP C[C@@H]1COCCN1CCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220725235 825092699 /nfs/dbraw/zinc/09/26/99/825092699.db2.gz OQPQMKFAOFXUKC-DGCLKSJQSA-N 2 0 284.404 -0.850 20 0 CBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])CN1)C2 ZINC001220716768 825092995 /nfs/dbraw/zinc/09/29/95/825092995.db2.gz RAQKXRKZTSTDCZ-KVSVUVNWSA-N 2 0 266.389 -0.193 20 0 CBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H](N)CC[NH3+])C2 ZINC001220716544 825093051 /nfs/dbraw/zinc/09/30/51/825093051.db2.gz KMDDGQCPFIHFQM-YFKTTZPYSA-N 2 0 254.378 -0.206 20 0 CBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001220716922 825093987 /nfs/dbraw/zinc/09/39/87/825093987.db2.gz UZWPJAVVAYAISH-YIYPIFLZSA-N 3 0 292.427 -0.073 20 0 CBADRP CC(=O)NC[C@H](C)CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220756297 825095035 /nfs/dbraw/zinc/09/50/35/825095035.db2.gz AKKSTTPYQAQCQU-CABZTGNLSA-N 2 0 270.377 -0.798 20 0 CBADRP N[C@@]1(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]C1 ZINC001220743766 825095961 /nfs/dbraw/zinc/09/59/61/825095961.db2.gz OXOHESDWUJPFSK-HNNXBMFYSA-N 2 0 289.383 -0.143 20 0 CBADRP N[C@]1(C(=O)N[C@]23CC[C@]([NH3+])(C2)CCC3)CCC[NH2+]C1 ZINC001220779609 825100980 /nfs/dbraw/zinc/10/09/80/825100980.db2.gz XTISGUUIPOBFFI-BFHYXJOUSA-N 2 0 266.389 -0.012 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@@H]3C[NH2+]C[C@H]3O)(C1)CCC2 ZINC001220779461 825101016 /nfs/dbraw/zinc/10/10/16/825101016.db2.gz TXUJEBHVGTWLND-VCDKRKBESA-N 2 0 253.346 -0.513 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@H]1C[NH2+]C[C@@H]1O ZINC001220789871 825101989 /nfs/dbraw/zinc/10/19/89/825101989.db2.gz MWGSIVAUESOFOO-XDQVBPFNSA-N 2 0 290.367 -0.571 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)NC[C@H]2CC[NH2+][C@@H]2c2cccnc2)C1 ZINC001220788595 825102790 /nfs/dbraw/zinc/10/27/90/825102790.db2.gz FHEMOSDFFAZQHA-ZOBORPQBSA-N 2 0 289.383 -0.462 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@H]1[NH2+]CC[C@H]1O ZINC001220794523 825103238 /nfs/dbraw/zinc/10/32/38/825103238.db2.gz QZBHGMJRTLCCGD-DGAVXFQQSA-N 2 0 290.367 -0.429 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220800951 825104166 /nfs/dbraw/zinc/10/41/66/825104166.db2.gz WDJGZTPBCQGYIX-CIUDSAMLSA-N 2 0 297.277 -0.467 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@H]1[NH2+]CC[C@H]1O ZINC001220805769 825104578 /nfs/dbraw/zinc/10/45/78/825104578.db2.gz VDDMNVRSHWVRMU-KDXUFGMBSA-N 2 0 281.278 -0.634 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220803083 825104664 /nfs/dbraw/zinc/10/46/64/825104664.db2.gz BOWFITPYZQREDD-BIIVOSGPSA-N 2 0 268.283 -0.681 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@]23CC[C@H]2C[NH2+]C3)C[NH2+]C1 ZINC001220826950 825106968 /nfs/dbraw/zinc/10/69/68/825106968.db2.gz CSHPVHNWTJXTTA-LKFCYVNXSA-N 2 0 279.340 -0.477 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]C[C@H](F)C2)C[NH2+]C1 ZINC001220826806 825107193 /nfs/dbraw/zinc/10/71/93/825107193.db2.gz AHQIYZONKNCBMV-DTWKUNHWSA-N 2 0 285.319 -0.529 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@]23CC[C@@H]2C[NH2+]C3)C[NH2+]C1 ZINC001220826951 825107206 /nfs/dbraw/zinc/10/72/06/825107206.db2.gz CSHPVHNWTJXTTA-OTYXRUKQSA-N 2 0 279.340 -0.477 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@]23CC[C@H]2C[NH2+]C3)C[NH2+]C1 ZINC001220826952 825107605 /nfs/dbraw/zinc/10/76/05/825107605.db2.gz CSHPVHNWTJXTTA-XPTSAGLGSA-N 2 0 279.340 -0.477 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CCC[C@H]2[NH3+])C[NH2+]C1 ZINC001220828789 825108468 /nfs/dbraw/zinc/10/84/68/825108468.db2.gz SPPNESSSDGSVKJ-PSASIEDQSA-N 2 0 267.329 -0.350 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[C@@H]([NH+](C)C)C2)C[NH2+]C1 ZINC001220828263 825108619 /nfs/dbraw/zinc/10/86/19/825108619.db2.gz JVMONAPAQLDBEC-AOOOYVTPSA-N 2 0 281.356 -0.137 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]2CC[NH2+]C[C@@H]2F)C[NH2+]C1 ZINC001220830048 825109154 /nfs/dbraw/zinc/10/91/54/825109154.db2.gz LNRKSDSOKJWCBB-WPRPVWTQSA-N 2 0 285.319 -0.529 20 0 CBADRP CCOC(=O)C1(NC(=O)C2CCC(C[NH3+])CC2)C[NH2+]C1 ZINC001220850951 825112307 /nfs/dbraw/zinc/11/23/07/825112307.db2.gz BJHISLRCUUDONH-UHFFFAOYSA-N 2 0 283.372 -0.227 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220859992 825113857 /nfs/dbraw/zinc/11/38/57/825113857.db2.gz WOUFRHBHPFBKKH-NEPJUHHUSA-N 3 0 285.436 -0.774 20 0 CBADRP [NH3+]Cc1ccccc1CNC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220855099 825114114 /nfs/dbraw/zinc/11/41/14/825114114.db2.gz LXVOXAPXAOWTOR-DZGCQCFKSA-N 2 0 274.368 -0.287 20 0 CBADRP O=C(NCCc1c[nH]c2cc[nH+]cc12)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220865553 825115782 /nfs/dbraw/zinc/11/57/82/825115782.db2.gz AXLPPHZPWABSQF-ZWNOBZJWSA-N 2 0 274.324 -0.056 20 0 CBADRP [NH3+][C@@H](Cc1cscn1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220881709 825119051 /nfs/dbraw/zinc/11/90/51/825119051.db2.gz NPJSTGSMOMPEPP-SCZZXKLOSA-N 2 0 254.359 -0.119 20 0 CBADRP O=C(C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)N[C@@H]1CCC[NH2+]C1 ZINC001220884930 825119923 /nfs/dbraw/zinc/11/99/23/825119923.db2.gz RYFFAWVNLZHSNG-LPWJVIDDSA-N 2 0 267.373 -0.131 20 0 CBADRP C[N@@H+]1C[C@@H](C(=O)N[C@H]2CCC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001220884373 825120063 /nfs/dbraw/zinc/12/00/63/825120063.db2.gz APJNGKCXBMGUMX-STQMWFEESA-N 3 0 296.415 -0.693 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CCC[NH2+]C1 ZINC001220889495 825120955 /nfs/dbraw/zinc/12/09/55/825120955.db2.gz LFTNOOZYDDQCAU-NHCYSSNCSA-N 2 0 270.377 -0.656 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220889497 825121378 /nfs/dbraw/zinc/12/13/78/825121378.db2.gz LFTNOOZYDDQCAU-UMNHJUIQSA-N 2 0 270.377 -0.656 20 0 CBADRP C[C@@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220898707 825122476 /nfs/dbraw/zinc/12/24/76/825122476.db2.gz TUUWWPGZYYXOJY-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)c1noc2c1C[NH2+]CC2 ZINC001220896240 825122522 /nfs/dbraw/zinc/12/25/22/825122522.db2.gz GWLVHPJTBOJPAY-MRVPVSSYSA-N 2 0 250.302 -0.198 20 0 CBADRP [NH3+]CCN(CCNC(=O)c1cccc(C[NH3+])c1)N(O)N=O ZINC001220903154 825122564 /nfs/dbraw/zinc/12/25/64/825122564.db2.gz NJOAKGNHBPTMGJ-UHFFFAOYSA-N 2 0 296.331 -0.577 20 0 CBADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@H]2[NH2+]CC[C@@H]2O)C2COC2)CC1 ZINC001220931005 825123848 /nfs/dbraw/zinc/12/38/48/825123848.db2.gz WOMIKLDSMZBSBD-UKJIMTQDSA-N 2 0 283.372 -0.794 20 0 CBADRP [NH3+][C@H]1CC[C@H](N(C(=O)C[C@@H]2COCC[NH2+]2)C2COC2)CC1 ZINC001220930693 825124168 /nfs/dbraw/zinc/12/41/68/825124168.db2.gz TXMPWTUPRBMJJC-JHJVBQTASA-N 2 0 297.399 -0.138 20 0 CBADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@@H]2C[NH2+]CCN2)C2COC2)CC1 ZINC001220931064 825124220 /nfs/dbraw/zinc/12/42/20/825124220.db2.gz XEUZFIKPHCLESD-GVXVVHGQSA-N 2 0 282.388 -0.955 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930335 825124594 /nfs/dbraw/zinc/12/45/94/825124594.db2.gz OIFKWMFMBJTLHZ-CKYFFXLPSA-N 2 0 271.361 -0.807 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220936324 825126198 /nfs/dbraw/zinc/12/61/98/825126198.db2.gz FBPPYSWGRQQKMI-RYUDHWBXSA-N 3 0 272.393 -0.802 20 0 CBADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C[C@@H]1F ZINC001220937439 825126829 /nfs/dbraw/zinc/12/68/29/825126829.db2.gz RJQVIAMTCMWTHY-VWYCJHECSA-N 2 0 259.325 -0.571 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@@H]1CCCc2nccnc21 ZINC001220950661 825126837 /nfs/dbraw/zinc/12/68/37/825126837.db2.gz BLUZNXHWOJUOQK-GXSJLCMTSA-N 2 0 295.412 -0.011 20 0 CBADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001220937437 825127323 /nfs/dbraw/zinc/12/73/23/825127323.db2.gz RJQVIAMTCMWTHY-MXWKQRLJSA-N 2 0 259.325 -0.571 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)n1cc(C[NH3+])cnc1=N ZINC001220950744 825127998 /nfs/dbraw/zinc/12/79/98/825127998.db2.gz FIFNQYBHNVHFTG-NSHDSACASA-N 2 0 294.359 -0.905 20 0 CBADRP Nc1ccc([C@H](CCO)NC(=O)[C@H]2C[NH2+]C[C@@H]2N)cc1 ZINC001220955067 825128488 /nfs/dbraw/zinc/12/84/88/825128488.db2.gz COFSAIIXUAVNGA-AVGNSLFASA-N 2 0 278.356 -0.645 20 0 CBADRP N=c1ncc(C[NH3+])cn1C(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001220951368 825128769 /nfs/dbraw/zinc/12/87/69/825128769.db2.gz YVTYTAVNCRKZJG-BDAKNGLRSA-N 2 0 253.281 -0.591 20 0 CBADRP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976023 825130619 /nfs/dbraw/zinc/13/06/19/825130619.db2.gz GGJHHGWKHGZFAO-MJBXVCDLSA-N 2 0 299.415 -0.474 20 0 CBADRP [NH3+][C@@H](C(=O)NCC1(c2cnccn2)CC1)C1CC[NH2+]CC1 ZINC001220992126 825133019 /nfs/dbraw/zinc/13/30/19/825133019.db2.gz FHBFSGBYQFBAQQ-CYBMUJFWSA-N 2 0 289.383 -0.049 20 0 CBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)C2([NH3+])CC2)CC1 ZINC001221006563 825133840 /nfs/dbraw/zinc/13/38/40/825133840.db2.gz JBEXVDLOOHJQIT-XYPYZODXSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])CCO1 ZINC001221010315 825135293 /nfs/dbraw/zinc/13/52/93/825135293.db2.gz FHMCDGQWZOBABF-UTLUCORTSA-N 2 0 261.391 -0.311 20 0 CBADRP COC[C@@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C1CC1 ZINC001221012996 825136759 /nfs/dbraw/zinc/13/67/59/825136759.db2.gz GUUSVJGPELKBEM-WDEREUQCSA-N 2 0 253.346 -0.663 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CC=CCC1 ZINC001221018452 825138441 /nfs/dbraw/zinc/13/84/41/825138441.db2.gz CSTJMSHHCCILKX-CHWSQXEVSA-N 2 0 266.389 -0.038 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1cn(CC2CC2)cn1 ZINC001221023902 825138608 /nfs/dbraw/zinc/13/86/08/825138608.db2.gz UWYJGZYEOUKEDC-GFCCVEGCSA-N 2 0 265.361 -0.025 20 0 CBADRP [NH3+]CCN(C(=O)[C@@H]1C[C@@H]([NH3+])CN1)c1ccc(F)cc1 ZINC001221060442 825139839 /nfs/dbraw/zinc/13/98/39/825139839.db2.gz ACKYOBKBBYWQSW-PWSUYJOCSA-N 2 0 266.320 -0.193 20 0 CBADRP [NH3+]CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)c1ccc(F)cc1 ZINC001221061086 825140121 /nfs/dbraw/zinc/14/01/21/825140121.db2.gz ZRYIWZMGMQUDSP-VXGBXAGGSA-N 2 0 267.304 -0.302 20 0 CBADRP COCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221061955 825140248 /nfs/dbraw/zinc/14/02/48/825140248.db2.gz HVXMZXNJJOPXQJ-KGLIPLIRSA-N 2 0 299.415 -0.330 20 0 CBADRP N[C@]1(C(=O)N[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)CC[NH2+]C1 ZINC001221056353 825140669 /nfs/dbraw/zinc/14/06/69/825140669.db2.gz ORYPUAMLABTXHQ-UMVBOHGHSA-N 2 0 296.415 -0.563 20 0 CBADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001221081918 825142195 /nfs/dbraw/zinc/14/21/95/825142195.db2.gz YTTLANMQDPLSKK-OLZOCXBDSA-N 2 0 285.388 -0.984 20 0 CBADRP COCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089681 825143851 /nfs/dbraw/zinc/14/38/51/825143851.db2.gz MHQFAAJOONOGMV-NEPJUHHUSA-N 2 0 273.377 -0.866 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@@]2(N)CC[NH2+]C2)CC1 ZINC001221136882 825146164 /nfs/dbraw/zinc/14/61/64/825146164.db2.gz WXIDUIYGQXSFPN-CYBMUJFWSA-N 2 0 270.377 -0.966 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001221134101 825146306 /nfs/dbraw/zinc/14/63/06/825146306.db2.gz KZZCVYHSFHHKIM-SWLSCSKDSA-N 2 0 296.415 -0.706 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)C[C@H](O)C[NH3+])CC1 ZINC001221134280 825146611 /nfs/dbraw/zinc/14/66/11/825146611.db2.gz SYRVIIBVPWPWHQ-JTQLQIEISA-N 2 0 259.350 -0.948 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001221134045 825146762 /nfs/dbraw/zinc/14/67/62/825146762.db2.gz IMPUVBCDHGRBRL-GDNZZTSVSA-N 2 0 267.373 -0.192 20 0 CBADRP COCCOc1nccc(CNC(=O)[C@H]([NH3+])CCC[NH3+])n1 ZINC001221158347 825147963 /nfs/dbraw/zinc/14/79/63/825147963.db2.gz ZXWUYBMDFCGWRN-LLVKDONJSA-N 2 0 297.359 -0.816 20 0 CBADRP O=C(NCCc1ccc(CO)cc1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221190739 825151210 /nfs/dbraw/zinc/15/12/10/825151210.db2.gz ZZCNPFUEUZPOBU-AWEZNQCLSA-N 2 0 289.379 -0.353 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC001221188145 825151403 /nfs/dbraw/zinc/15/14/03/825151403.db2.gz PINFSJQJOICXJO-JOYOIKCWSA-N 2 0 257.334 -0.475 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CCCC[NH2+]1 ZINC001221188408 825152162 /nfs/dbraw/zinc/15/21/62/825152162.db2.gz VRBPVJVGPWWEMP-UWVGGRQHSA-N 2 0 257.334 -0.475 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1nc2cc[nH]cc-2n1 ZINC001221193891 825152898 /nfs/dbraw/zinc/15/28/98/825152898.db2.gz HKUGVDMWICKXQD-MRVPVSSYSA-N 2 0 262.317 -0.360 20 0 CBADRP O=C(NCc1nc2cc[nH]cc-2n1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221194266 825152924 /nfs/dbraw/zinc/15/29/24/825152924.db2.gz OUFMFKHJGUZZSJ-VIFPVBQESA-N 2 0 286.339 -0.617 20 0 CBADRP C[C@@]1([NH3+])C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001221238603 825158940 /nfs/dbraw/zinc/15/89/40/825158940.db2.gz AACMTMVIMTXMDS-VCDKRKBESA-N 3 0 252.362 -0.819 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H]1CCOC[C@@H]1F ZINC001221244271 825159910 /nfs/dbraw/zinc/15/99/10/825159910.db2.gz UPODWTXZMGSGCQ-AXFHLTTASA-N 2 0 261.341 -0.053 20 0 CBADRP C[N@@H+]1CCC[C@](C)(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001221244017 825160646 /nfs/dbraw/zinc/16/06/46/825160646.db2.gz OTYICEIHWCEICA-OCCSQVGLSA-N 3 0 268.405 -0.086 20 0 CBADRP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@H]1C[NH2+]C[C@H]1O ZINC001221248071 825161621 /nfs/dbraw/zinc/16/16/21/825161621.db2.gz INOVPVVECAAYKR-OUCADQQQSA-N 2 0 267.373 -0.395 20 0 CBADRP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@@H]1C[NH2+]C[C@H]1O ZINC001221248073 825161628 /nfs/dbraw/zinc/16/16/28/825161628.db2.gz INOVPVVECAAYKR-YRGRVCCFSA-N 2 0 267.373 -0.395 20 0 CBADRP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001221246342 825161894 /nfs/dbraw/zinc/16/18/94/825161894.db2.gz YFYIXSWZXVLPAN-NUEKZKHPSA-N 2 0 292.427 -0.024 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001221254667 825162078 /nfs/dbraw/zinc/16/20/78/825162078.db2.gz RYYPHLHJDMAVQF-GMXVVIOVSA-N 2 0 252.362 -0.994 20 0 CBADRP [NH3+][C@@H]1COC[C@@H]1C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221250268 825162387 /nfs/dbraw/zinc/16/23/87/825162387.db2.gz CQBVYWJISMRKDQ-OUCADQQQSA-N 2 0 267.373 -0.001 20 0 CBADRP N[C@@]1(C(=O)NC[C@]2(CC3CC3)CCC[NH2+]2)CC[NH2+]C1 ZINC001221248264 825162762 /nfs/dbraw/zinc/16/27/62/825162762.db2.gz PGGQOAZJMJRKBG-KGLIPLIRSA-N 2 0 266.389 -0.284 20 0 CBADRP CC(=O)OCN1CCC(NC(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001221259051 825163974 /nfs/dbraw/zinc/16/39/74/825163974.db2.gz SQNCRWOLLGTAEL-GFCCVEGCSA-N 2 0 286.376 -0.846 20 0 CBADRP CCOC(=O)/C=C(/NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)OCC ZINC001221262510 825164269 /nfs/dbraw/zinc/16/42/69/825164269.db2.gz GWPGBJIQOOBGLF-KMFOOYFMSA-N 2 0 297.355 -0.647 20 0 CBADRP CC[C@H](C)[C@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C(=O)N(C)C ZINC001221278389 825167046 /nfs/dbraw/zinc/16/70/46/825167046.db2.gz QUOZIBXFAVENCR-SRVKXCTJSA-N 2 0 296.415 -0.586 20 0 CBADRP O=C(N[C@H]1CCC[C@H]1CO)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221306371 825168433 /nfs/dbraw/zinc/16/84/33/825168433.db2.gz QFCLXFOGQMQVOV-DCAQKATOSA-N 2 0 253.346 -0.927 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@H]1c2ccccc2NC1=O ZINC001221310004 825169926 /nfs/dbraw/zinc/16/99/26/825169926.db2.gz ZYSCEHBPODGDJC-QWRGUYRKSA-N 2 0 276.340 -0.095 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1cnc(Cl)cn1 ZINC001221319187 825170906 /nfs/dbraw/zinc/17/09/06/825170906.db2.gz PNTAJLZRMBXDLZ-QMMMGPOBSA-N 2 0 289.792 -0.235 20 0 CBADRP Cc1cnc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c(=O)[nH]1 ZINC001221328952 825171911 /nfs/dbraw/zinc/17/19/11/825171911.db2.gz OVIVGKWPZAQVPY-VIFPVBQESA-N 2 0 265.317 -0.656 20 0 CBADRP NC1(C(=O)N2Cc3ccccc3C[C@H]2C[NH3+])CC[NH2+]CC1 ZINC001221333241 825172737 /nfs/dbraw/zinc/17/27/37/825172737.db2.gz QLNDRGPRMNFYGY-AWEZNQCLSA-N 2 0 288.395 -0.021 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC001221339967 825174606 /nfs/dbraw/zinc/17/46/06/825174606.db2.gz RJVHTFJFFRBGCF-WHOHXGKFSA-N 2 0 255.362 -0.193 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NCCCC[NH3+] ZINC001221344909 825174729 /nfs/dbraw/zinc/17/47/29/825174729.db2.gz HQTFMTKHAGFYLD-QWRGUYRKSA-N 2 0 272.393 -0.280 20 0 CBADRP [NH3+]CCCCNC(=O)C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001221345486 825175068 /nfs/dbraw/zinc/17/50/68/825175068.db2.gz ZOAGNWYTYBAZDF-UTUOFQBUSA-N 2 0 255.362 -0.144 20 0 CBADRP [NH3+]CCCCNC(=O)c1cnc2n1CC[NH2+]CC2 ZINC001221347180 825175391 /nfs/dbraw/zinc/17/53/91/825175391.db2.gz MRPMKILKDFFMSJ-UHFFFAOYSA-N 2 0 251.334 -0.503 20 0 CBADRP CCCC(C[NH3+])(CCC)NC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001221373783 825178556 /nfs/dbraw/zinc/17/85/56/825178556.db2.gz NNYKSRWXNJLDMK-MNOVXSKESA-N 2 0 257.378 -0.019 20 0 CBADRP CCCC(C[NH3+])(CCC)NC(=O)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001221372773 825179091 /nfs/dbraw/zinc/17/90/91/825179091.db2.gz SKBGUDVWPXSVAB-LBPRGKRZSA-N 2 0 296.415 -0.122 20 0 CBADRP NC1=CC=C(C2CCN(C(=O)[C@@H]3C[NH2+]CCN3)CC2)[NH2+]C1 ZINC001221392220 825179963 /nfs/dbraw/zinc/17/99/63/825179963.db2.gz KKKXRKANESGEEY-AWEZNQCLSA-N 2 0 291.399 -0.884 20 0 CBADRP NC1=CC=C(C2CCN(C(=O)C[C@@H](O)C[NH3+])CC2)[NH2+]C1 ZINC001221392594 825179993 /nfs/dbraw/zinc/17/99/93/825179993.db2.gz YEAAULNPROVYDW-GFCCVEGCSA-N 2 0 280.372 -0.736 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](N)Cc1c[nH]cn1 ZINC001221388786 825180148 /nfs/dbraw/zinc/18/01/48/825180148.db2.gz FTXFKDSRPCNSAO-LLVKDONJSA-N 2 0 295.391 -0.657 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CNC1CC[NH2+]CC1 ZINC001221388102 825180187 /nfs/dbraw/zinc/18/01/87/825180187.db2.gz ATCPVECCYCSTFS-UHFFFAOYSA-N 3 0 298.435 -0.608 20 0 CBADRP C[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1ccno1 ZINC001221396961 825181097 /nfs/dbraw/zinc/18/10/97/825181097.db2.gz HULMUUOXLAFIFO-YUMQZZPRSA-N 2 0 258.347 -0.129 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC1(CO)CC[NH+](C)CC1 ZINC001221402287 825182271 /nfs/dbraw/zinc/18/22/71/825182271.db2.gz BWTCLDLZWPETNG-RYUDHWBXSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NC1(CO)CC[NH+](C)CC1 ZINC001221402285 825182574 /nfs/dbraw/zinc/18/25/74/825182574.db2.gz BWTCLDLZWPETNG-NEPJUHHUSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC001221403118 825183268 /nfs/dbraw/zinc/18/32/68/825183268.db2.gz QRAKHHATUBRHMY-GHMZBOCLSA-N 2 0 255.362 -0.313 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221407226 825183691 /nfs/dbraw/zinc/18/36/91/825183691.db2.gz BPBSSLDFFRCVEV-NWDGAFQWSA-N 2 0 269.345 -0.619 20 0 CBADRP C[NH+]1CCC(CO)(NC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC001221403804 825183906 /nfs/dbraw/zinc/18/39/06/825183906.db2.gz YBYWFWRMKOALGH-NSHDSACASA-N 2 0 255.362 -0.299 20 0 CBADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC001221404212 825184014 /nfs/dbraw/zinc/18/40/14/825184014.db2.gz LNGPGVGUZVPGEF-AGIUHOORSA-N 2 0 279.340 -0.609 20 0 CBADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CCC[NH3+])c1 ZINC001221407311 825184097 /nfs/dbraw/zinc/18/40/97/825184097.db2.gz XTKQNRZJTQLTKO-STQMWFEESA-N 3 0 280.372 -0.123 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC001221407038 825184258 /nfs/dbraw/zinc/18/42/58/825184258.db2.gz KFTFRQWSXBDAAJ-RWMBFGLXSA-N 2 0 266.389 -0.349 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CCN2)[C@@H](C)C1 ZINC001221406253 825184328 /nfs/dbraw/zinc/18/43/28/825184328.db2.gz DXNUNHIQGIFHGE-XQQFMLRXSA-N 2 0 268.405 -0.217 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221407799 825184519 /nfs/dbraw/zinc/18/45/19/825184519.db2.gz FABBMRYZQWQLDI-CYBMUJFWSA-N 3 0 254.378 -0.571 20 0 CBADRP C[C@H]1CC[NH2+][C@H](C(=O)NC2(CO)CC[NH+](C)CC2)C1 ZINC001221403765 825184561 /nfs/dbraw/zinc/18/45/61/825184561.db2.gz WXCOBWSKIBTRAO-RYUDHWBXSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@]1(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCCOC1 ZINC001221403791 825184603 /nfs/dbraw/zinc/18/46/03/825184603.db2.gz XNZURPFAHZFXKY-CMPLNLGQSA-N 2 0 253.346 -0.519 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221407227 825184651 /nfs/dbraw/zinc/18/46/51/825184651.db2.gz BPBSSLDFFRCVEV-RYUDHWBXSA-N 2 0 269.345 -0.619 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CCN2)[C@H](C)C1 ZINC001221406248 825184671 /nfs/dbraw/zinc/18/46/71/825184671.db2.gz DXNUNHIQGIFHGE-AGIUHOORSA-N 2 0 268.405 -0.217 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221408117 825185492 /nfs/dbraw/zinc/18/54/92/825185492.db2.gz HGJAFNWFJFZICW-NEPJUHHUSA-N 3 0 254.378 -0.443 20 0 CBADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221410804 825185716 /nfs/dbraw/zinc/18/57/16/825185716.db2.gz RLPSOCMVTMUEMH-CHWSQXEVSA-N 3 0 278.400 -0.700 20 0 CBADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001221410205 825185907 /nfs/dbraw/zinc/18/59/07/825185907.db2.gz QFZDSWXFGNVBTK-NFAWXSAZSA-N 2 0 278.400 -0.558 20 0 CBADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221408772 825185941 /nfs/dbraw/zinc/18/59/41/825185941.db2.gz KTTRQXCCMGXVAO-IIAWOOMASA-N 3 0 292.427 -0.310 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221411871 825187046 /nfs/dbraw/zinc/18/70/46/825187046.db2.gz YHLRHSLWWABMMY-QWHCGFSZSA-N 2 0 277.372 -0.216 20 0 CBADRP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@H]1[NH2+]CC[C@H]1O ZINC001221412526 825187084 /nfs/dbraw/zinc/18/70/84/825187084.db2.gz DNIWPLSROABHLV-WOPDTQHZSA-N 2 0 253.346 -0.787 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221415108 825187229 /nfs/dbraw/zinc/18/72/29/825187229.db2.gz XSJSRUYWBACPFP-GXTWGEPZSA-N 2 0 267.373 -0.131 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCO)C[C@H]21 ZINC001221973663 825197440 /nfs/dbraw/zinc/19/74/40/825197440.db2.gz IKJOHKXNMREXCP-CHWSQXEVSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950686 825197894 /nfs/dbraw/zinc/19/78/94/825197894.db2.gz SXXRPHYGMAOGFP-BFHYXJOUSA-N 2 0 299.415 -0.522 20 0 CBADRP C([C@H]1COCC[NH2+]1)N1CCNC2(CC[NH2+]CC2)C1 ZINC001222086006 825199193 /nfs/dbraw/zinc/19/91/93/825199193.db2.gz QTFSWFVUSDUAMQ-LBPRGKRZSA-N 2 0 254.378 -0.998 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CCOC[C@@]3(C[NH2+]CCO3)C2)O1 ZINC001222186233 825202534 /nfs/dbraw/zinc/20/25/34/825202534.db2.gz AYXMVOBFGQYILI-GXTWGEPZSA-N 2 0 285.388 -0.598 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001222416007 825209772 /nfs/dbraw/zinc/20/97/72/825209772.db2.gz YMAVTOQAJFQAGR-VHSXEESVSA-N 2 0 257.334 -0.842 20 0 CBADRP C([C@H]1COCC[NH2+]1)N1CC[NH2+]C[C@]2(CCCCN2)C1 ZINC001222667625 825220756 /nfs/dbraw/zinc/22/07/56/825220756.db2.gz GARIRCPMNVADNS-UONOGXRCSA-N 2 0 268.405 -0.608 20 0 CBADRP C[C@@H](C(N)=O)[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224338610 825236740 /nfs/dbraw/zinc/23/67/40/825236740.db2.gz WXZAMEJNBXEEMC-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH+](C)CCC(=O)NCC1CC[NH+](CCO)CC1 ZINC001224346305 825236878 /nfs/dbraw/zinc/23/68/78/825236878.db2.gz GCAPXNCWXAJDNK-UHFFFAOYSA-N 2 0 257.378 -0.241 20 0 CBADRP CNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224347253 825238079 /nfs/dbraw/zinc/23/80/79/825238079.db2.gz ZRIDGTLDCNXJIW-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001224537106 825241516 /nfs/dbraw/zinc/24/15/16/825241516.db2.gz PYKHNRFABZGOGC-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP CO[C@@H]1CC[N@H+](CCOCCN2CC[NH+](C)CC2)C1 ZINC001224548797 825242412 /nfs/dbraw/zinc/24/24/12/825242412.db2.gz FTWYKGSFCAJPJM-CQSZACIVSA-N 2 0 271.405 -0.029 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC2CC[NH+](CC(N)=O)CC2)C1 ZINC001225168152 825254677 /nfs/dbraw/zinc/25/46/77/825254677.db2.gz OGNWRLPFXDYKIC-CYBMUJFWSA-N 2 0 296.415 -0.358 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)CCC1 ZINC001226782794 825290876 /nfs/dbraw/zinc/29/08/76/825290876.db2.gz SBMJZCMMKUQVPR-VXGBXAGGSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@@H](C(=O)N(C)C)[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229008004 825326371 /nfs/dbraw/zinc/32/63/71/825326371.db2.gz HNXBQOQYIXLLPN-LBPRGKRZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC001229717755 825335996 /nfs/dbraw/zinc/33/59/96/825335996.db2.gz XGUONGVZTKEZRX-CHWSQXEVSA-N 2 0 287.404 -0.426 20 0 CBADRP C[C@@H](O)C[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230048630 825341939 /nfs/dbraw/zinc/34/19/39/825341939.db2.gz KZPZZTAEURNPED-GFCCVEGCSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC1CC[NH+](CCO)CC1 ZINC001230275752 825345775 /nfs/dbraw/zinc/34/57/75/825345775.db2.gz WPCKFJHTQIEPMX-ZDUSSCGKSA-N 2 0 299.415 -0.472 20 0 CBADRP COC[C@H](O)C[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001230267895 825346004 /nfs/dbraw/zinc/34/60/04/825346004.db2.gz PWUNLHGUKUTLRZ-CQSZACIVSA-N 2 0 299.415 -0.330 20 0 CBADRP COC[C@@H](O)C[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001230267894 825346447 /nfs/dbraw/zinc/34/64/47/825346447.db2.gz PWUNLHGUKUTLRZ-AWEZNQCLSA-N 2 0 299.415 -0.330 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC1CC[NH+](CCO)CC1 ZINC001230275751 825347237 /nfs/dbraw/zinc/34/72/37/825347237.db2.gz WPCKFJHTQIEPMX-CYBMUJFWSA-N 2 0 299.415 -0.472 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CCN[C@@]3(CC[NH2+]C3)C2)O1 ZINC001235052859 825484259 /nfs/dbraw/zinc/48/42/59/825484259.db2.gz QASDHMYCUFXQKK-WCQYABFASA-N 2 0 254.378 -0.652 20 0 CBADRP C[NH+]1CCC(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001235056324 825485529 /nfs/dbraw/zinc/48/55/29/825485529.db2.gz XSZFEYJYZIPFDR-AWEZNQCLSA-N 3 0 252.406 -0.035 20 0 CBADRP O=c1[nH]cc(CN2CCN[C@]3(CC[NH2+]C3)C2)c(=O)[nH]1 ZINC001235061271 825485584 /nfs/dbraw/zinc/48/55/84/825485584.db2.gz JMTSUURCALISJC-LBPRGKRZSA-N 2 0 265.317 -0.975 20 0 CBADRP O=C1NCCN(C[C@@H]2Cc3ccccc3C[NH2+]2)C12C[NH2+]C2 ZINC001235071481 825486477 /nfs/dbraw/zinc/48/64/77/825486477.db2.gz WYTBXFSZXVAIEQ-AWEZNQCLSA-N 2 0 286.379 -0.525 20 0 CBADRP OCCN1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235204053 825489123 /nfs/dbraw/zinc/48/91/23/825489123.db2.gz CLGUTBPZIXBVFU-UHFFFAOYSA-N 2 0 268.361 -0.548 20 0 CBADRP CC1(C)O[C@@H]2O[C@@H](CN3C[C@@H]4[C@@H]([NH3+])[C@@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001235211637 825489403 /nfs/dbraw/zinc/48/94/03/825489403.db2.gz ZKHONRTUBQEALE-MEOGSXJOSA-N 2 0 270.329 -0.887 20 0 CBADRP [NH3+]CCN1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235204860 825489653 /nfs/dbraw/zinc/48/96/53/825489653.db2.gz JSEUHBKIIJQGES-UHFFFAOYSA-N 2 0 267.377 -0.581 20 0 CBADRP [NH3+]CCCC[NH+]1CCC(C(=O)N2CC[NH2+]CC2)CC1 ZINC001235297578 825491856 /nfs/dbraw/zinc/49/18/56/825491856.db2.gz CMJDQKSABQXGGE-UHFFFAOYSA-N 3 0 268.405 -0.131 20 0 CBADRP CNC(=O)CN1CC[C@@H]1CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001235393229 825494185 /nfs/dbraw/zinc/49/41/85/825494185.db2.gz NMHOMXPTBUPNLA-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC[C@H](C4C[NH2+]C4)C3)[C@@H](O)[C@@H]2O1 ZINC001235340061 825494711 /nfs/dbraw/zinc/49/47/11/825494711.db2.gz HDDJXCJCDAYRTH-HNGSFYKJSA-N 2 0 298.383 -0.235 20 0 CBADRP C[C@H]([NH3+])CN1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001235519542 825499483 /nfs/dbraw/zinc/49/94/83/825499483.db2.gz XRDBWWMOTKSYFD-RWMBFGLXSA-N 2 0 277.372 -0.039 20 0 CBADRP C[C@@H]([NH3+])CN1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001235541796 825501401 /nfs/dbraw/zinc/50/14/01/825501401.db2.gz PSXZCVPRJIMAOV-CYBMUJFWSA-N 2 0 292.431 -0.207 20 0 CBADRP C[NH+](C)CCNC(=O)c1noc2c1C[N@H+](CCCO)CC2 ZINC001235520774 825501493 /nfs/dbraw/zinc/50/14/93/825501493.db2.gz IHNVBYFRKURFQH-UHFFFAOYSA-N 2 0 296.371 -0.294 20 0 CBADRP C[C@H]([NH3+])CN1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001235521471 825501673 /nfs/dbraw/zinc/50/16/73/825501673.db2.gz MYCKCQLXNSNMRT-JTQLQIEISA-N 2 0 295.387 -0.329 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2CN(CC[NH3+])CC[C@@H]2C1 ZINC001235546733 825503590 /nfs/dbraw/zinc/50/35/90/825503590.db2.gz LIIFOSPCHHUKTA-CHWSQXEVSA-N 2 0 284.404 -0.944 20 0 CBADRP COCC[N@@H+]1CCO[C@@H]2CN(CC[NH3+])CC[C@@H]2C1 ZINC001235568824 825504806 /nfs/dbraw/zinc/50/48/06/825504806.db2.gz MFNHHWOHCRGWPW-CHWSQXEVSA-N 2 0 257.378 -0.386 20 0 CBADRP Cc1nc[nH]c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235868128 825515101 /nfs/dbraw/zinc/51/51/01/825515101.db2.gz ALBAKBOGWLARLN-UHFFFAOYSA-N 2 0 266.393 -0.697 20 0 CBADRP Cc1nn(C)c(C)c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235868152 825515721 /nfs/dbraw/zinc/51/57/21/825515721.db2.gz BESZCYMRWDGFJH-UHFFFAOYSA-N 2 0 294.447 -0.379 20 0 CBADRP c1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)sn1 ZINC001235869387 825515818 /nfs/dbraw/zinc/51/58/18/825515818.db2.gz CZNKACDLXWQJIZ-UHFFFAOYSA-N 2 0 269.418 -0.273 20 0 CBADRP CC1(C)[NH2+][C@@H](CCN2CC[NH2+]CCNCC[NH2+]CC2)CO1 ZINC001235868532 825515845 /nfs/dbraw/zinc/51/58/45/825515845.db2.gz FRPMXMBTKBTKIH-AWEZNQCLSA-N 3 0 299.463 -0.815 20 0 CBADRP c1nocc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871533 825516361 /nfs/dbraw/zinc/51/63/61/825516361.db2.gz UWKGCZDCFDVOLE-UHFFFAOYSA-N 2 0 253.350 -0.741 20 0 CBADRP [NH3+]C12CC(CC[NH+]3CCNCC[NH2+]CCNCC3)(C1)C2 ZINC001235870060 825516383 /nfs/dbraw/zinc/51/63/83/825516383.db2.gz NADWYBGDLRCWKR-UHFFFAOYSA-N 3 0 281.448 -0.658 20 0 CBADRP Cc1nc(CN2CC[NH2+]CCNCC[NH2+]CC2)c[nH]1 ZINC001235870081 825516866 /nfs/dbraw/zinc/51/68/66/825516866.db2.gz HNDFHBGQOBYSBR-UHFFFAOYSA-N 2 0 266.393 -0.697 20 0 CBADRP c1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)ccn1 ZINC001235870039 825517010 /nfs/dbraw/zinc/51/70/10/825517010.db2.gz MSSUFTLVQVXOAV-UHFFFAOYSA-N 2 0 263.389 -0.334 20 0 CBADRP COC(C)(C)CC[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235871104 825517107 /nfs/dbraw/zinc/51/71/07/825517107.db2.gz TWGUMTHRYGVZMC-UHFFFAOYSA-N 2 0 272.437 -0.114 20 0 CBADRP Nc1cnccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870627 825517182 /nfs/dbraw/zinc/51/71/82/825517182.db2.gz OPEMFFRBFDMESB-UHFFFAOYSA-N 2 0 278.404 -0.752 20 0 CBADRP Nc1ccccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235875056 825518362 /nfs/dbraw/zinc/51/83/62/825518362.db2.gz ZMBNBHFFQLIVJD-UHFFFAOYSA-N 2 0 277.416 -0.147 20 0 CBADRP CC1(C)O[C@@H]2O[C@@H](C[NH+]3CC(CC[NH3+])C3)[C@@H](O)[C@@H]2O1 ZINC001235918924 825518606 /nfs/dbraw/zinc/51/86/06/825518606.db2.gz PQTXPLLLUQLZIX-USZNOCQGSA-N 2 0 272.345 -0.496 20 0 CBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@H]3CC[NH2+]C3)C[C@H]1C2 ZINC001236020287 825519500 /nfs/dbraw/zinc/51/95/00/825519500.db2.gz FZPCYYDCQMNNCX-QKDZRIPBSA-N 3 0 293.411 -0.074 20 0 CBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](CC(OC)OC)C[C@H]1C2 ZINC001236025066 825519871 /nfs/dbraw/zinc/51/98/71/825519871.db2.gz UIAAXCLEJGIXQD-ZAZJYDDPSA-N 2 0 298.383 -0.064 20 0 CBADRP CCOC(=O)[C@]12C[N@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)C[C@H]1C[NH2+]CC2 ZINC001236037281 825519943 /nfs/dbraw/zinc/51/99/43/825519943.db2.gz FPPSNYSYCMMCNC-USRAEIGSSA-N 3 0 293.411 -0.074 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1CCC1CC[NH2+]CC1 ZINC001236051671 825521066 /nfs/dbraw/zinc/52/10/66/825521066.db2.gz OKYCXFLHJAUUAK-LBPRGKRZSA-N 2 0 255.362 -0.177 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1CC[C@@H]1CCC[NH2+]C1 ZINC001236052647 825521738 /nfs/dbraw/zinc/52/17/38/825521738.db2.gz CLACUYANGKGZFZ-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@H]([NH3+])CN1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001236043534 825521950 /nfs/dbraw/zinc/52/19/50/825521950.db2.gz WQQHHPDIPDMQBS-NSHDSACASA-N 2 0 268.405 -0.005 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CCC[C@@H](N3CC([NH3+])C3)C2)O1 ZINC001236073416 825523605 /nfs/dbraw/zinc/52/36/05/825523605.db2.gz MYLASWTUYBOVKF-OLZOCXBDSA-N 2 0 268.405 -0.182 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1CC1(F)CC[NH2+]CC1 ZINC001236198528 825524056 /nfs/dbraw/zinc/52/40/56/825524056.db2.gz WLWIVSPZQHEHLU-UWVGGRQHSA-N 2 0 259.325 -0.347 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc2n1CC[NH2+]C2 ZINC001236199780 825524691 /nfs/dbraw/zinc/52/46/91/825524691.db2.gz ZGKGZBVEEDQWJW-MFKMUULPSA-N 2 0 278.356 -0.334 20 0 CBADRP c1cc(N2CC[NH2+]CC2)ncc1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236290340 825525844 /nfs/dbraw/zinc/52/58/44/825525844.db2.gz JIIOYJJPRCMDJQ-ZIAGYGMSSA-N 2 0 273.384 -0.105 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236306701 825526419 /nfs/dbraw/zinc/52/64/19/825526419.db2.gz WEUFUWUTBDDDMV-NSHDSACASA-N 2 0 273.377 -0.075 20 0 CBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])CC[C@H]1CCC[NH2+]C1 ZINC001236309977 825526462 /nfs/dbraw/zinc/52/64/62/825526462.db2.gz QTQLOSNOYIMICW-CQSZACIVSA-N 3 0 299.463 -0.508 20 0 CBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@H]1CCC[NH2+]C1 ZINC001236307332 825526621 /nfs/dbraw/zinc/52/66/21/825526621.db2.gz ALZYKZQGBYVPHE-ZDUSSCGKSA-N 3 0 285.436 -0.898 20 0 CBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])CCC12CC([NH3+])(C1)C2 ZINC001236307512 825527291 /nfs/dbraw/zinc/52/72/91/825527291.db2.gz CESOINLBKHGYFN-UHFFFAOYSA-N 3 0 297.447 -0.626 20 0 CBADRP COC(=O)[C@H]1C[N@H+](CCC23CC([NH3+])(C2)C3)C[C@@H]1N ZINC001236343232 825527926 /nfs/dbraw/zinc/52/79/26/825527926.db2.gz OYHGDFCTJZEXRQ-WPMGSTCASA-N 2 0 253.346 -0.310 20 0 CBADRP CN(C)CC(=O)N[C@@H]1CCC[N@H+](CCCC[NH3+])C1 ZINC001236467492 825532039 /nfs/dbraw/zinc/53/20/39/825532039.db2.gz PEGJRUFKSJYIML-GFCCVEGCSA-N 2 0 256.394 -0.133 20 0 CBADRP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001236818939 825533682 /nfs/dbraw/zinc/53/36/82/825533682.db2.gz LDDMLMKGROMBMM-LHWOPQQMSA-N 2 0 298.383 -0.107 20 0 CBADRP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001236818938 825533952 /nfs/dbraw/zinc/53/39/52/825533952.db2.gz LDDMLMKGROMBMM-KTXVKIBTSA-N 2 0 298.383 -0.107 20 0 CBADRP Cn1cc(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(=O)n(C)c1=O ZINC001237405909 825534874 /nfs/dbraw/zinc/53/48/74/825534874.db2.gz SJBHSSGCEKAWBL-DGCLKSJQSA-N 2 0 292.383 -0.342 20 0 CBADRP CN1CCc2ncc(NS(=O)(=O)CC[NH3+])cc2C1 ZINC001237494065 825535694 /nfs/dbraw/zinc/53/56/94/825535694.db2.gz XZVXZYSFVMOPEH-UHFFFAOYSA-N 2 0 270.358 -0.230 20 0 CBADRP CCOC(=O)[C@@H]1CN(C[C@H](C)[NH3+])CCC12C[NH2+]C2 ZINC001237411915 825535862 /nfs/dbraw/zinc/53/58/62/825535862.db2.gz QVFIYBDRJXYRFI-QWRGUYRKSA-N 3 0 255.362 -0.192 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1cc[nH+]c(N2CCOCC2)c1 ZINC001237518441 825537028 /nfs/dbraw/zinc/53/70/28/825537028.db2.gz HFLZYXHDSTXFML-UHFFFAOYSA-N 2 0 286.357 -0.381 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC001237599911 825540025 /nfs/dbraw/zinc/54/00/25/825540025.db2.gz WTYVMKFSVYNMHM-UHFFFAOYSA-N 2 0 284.385 -0.203 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001237719663 825542395 /nfs/dbraw/zinc/54/23/95/825542395.db2.gz VJHVHGOSGDAQRU-UHFFFAOYSA-N 2 0 271.342 -0.131 20 0 CBADRP [NH3+]C1(CNS(=O)(=O)C2CC[NH2+]CC2)CCCC1 ZINC001238031668 825545893 /nfs/dbraw/zinc/54/58/93/825545893.db2.gz GJCFMEXKPFTWLI-UHFFFAOYSA-N 2 0 261.391 -0.071 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@@]1(F)CCCC[NH2+]C1 ZINC001238123800 825546488 /nfs/dbraw/zinc/54/64/88/825546488.db2.gz FGPITUUAWXDBTI-SECBINFHSA-N 2 0 253.343 -0.654 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNS(=O)(=O)[C@@H]2CC[NH2+]C2)C1 ZINC001238110975 825546991 /nfs/dbraw/zinc/54/69/91/825546991.db2.gz SWICNNPKFFTQFY-GARJFASQSA-N 2 0 261.391 -0.487 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001238222208 825549054 /nfs/dbraw/zinc/54/90/54/825549054.db2.gz RKEZTKHQKQCWDK-NSHDSACASA-N 2 0 291.417 -0.587 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238179838 825549309 /nfs/dbraw/zinc/54/93/09/825549309.db2.gz NHTMGTZDCOFFBU-ONGXEEELSA-N 2 0 261.391 -0.487 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1C[NH2+]CC12CC2 ZINC001238246222 825550362 /nfs/dbraw/zinc/55/03/62/825550362.db2.gz BPKXKTHCPOTRPB-LLVKDONJSA-N 2 0 273.402 -0.343 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001238289410 825550416 /nfs/dbraw/zinc/55/04/16/825550416.db2.gz NLZHRFVCSJUDOM-SRVKXCTJSA-N 2 0 273.402 -0.344 20 0 CBADRP C=CS(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238243123 825550422 /nfs/dbraw/zinc/55/04/22/825550422.db2.gz RVXYHHCFDXEHCW-SNVBAGLBSA-N 2 0 259.375 -0.077 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@]1(F)CCC[NH2+]C1 ZINC001238271844 825550591 /nfs/dbraw/zinc/55/05/91/825550591.db2.gz RTRATYYPHZYEBG-GFCCVEGCSA-N 2 0 293.408 -0.003 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001238255521 825550831 /nfs/dbraw/zinc/55/08/31/825550831.db2.gz HJDZTYFXYGFCBB-SNVBAGLBSA-N 2 0 277.390 -0.834 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1[C@@H]2C[C@H]1C[NH2+]C2 ZINC001238302674 825551062 /nfs/dbraw/zinc/55/10/62/825551062.db2.gz NVMZWXGSKGJBHO-GDNZZTSVSA-N 2 0 273.402 -0.487 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)C2CC[NH2+]CC2)C1 ZINC001238440976 825552879 /nfs/dbraw/zinc/55/28/79/825552879.db2.gz IXLLRYLCEDEJGM-NXEZZACHSA-N 2 0 261.391 -0.072 20 0 CBADRP [NH3+]CCS(=O)(=O)N[C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001238368030 825553436 /nfs/dbraw/zinc/55/34/36/825553436.db2.gz VAOQQWSQKBRHGS-GHMZBOCLSA-N 2 0 277.390 -0.834 20 0 CBADRP CCC[NH+](CCC)CCNS(=O)(=O)CC[NH3+] ZINC001238367986 825553706 /nfs/dbraw/zinc/55/37/06/825553706.db2.gz UHGXWUKVQVWEJJ-UHFFFAOYSA-N 2 0 251.396 -0.014 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@]1(O)CCC[NH2+]C1 ZINC001238499298 825554364 /nfs/dbraw/zinc/55/43/64/825554364.db2.gz INPYHKXGVNJSKP-GFCCVEGCSA-N 2 0 291.417 -0.980 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1CSCC[NH2+]1 ZINC001238753810 825562964 /nfs/dbraw/zinc/56/29/64/825562964.db2.gz YXNMXVDULXXFRS-LLVKDONJSA-N 2 0 293.458 -0.390 20 0 CBADRP [NH3+]CCS(=O)(=O)NCc1cccc(N2CC[NH2+]CC2)c1 ZINC001238764933 825563075 /nfs/dbraw/zinc/56/30/75/825563075.db2.gz DBJSVIODJMNFKY-UHFFFAOYSA-N 2 0 298.412 -0.526 20 0 CBADRP CO[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238799403 825564027 /nfs/dbraw/zinc/56/40/27/825564027.db2.gz BQBAAMQLSPGHLW-NWDGAFQWSA-N 2 0 291.417 -0.718 20 0 CBADRP [NH3+]CCS(=O)(=O)N[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001238808125 825564168 /nfs/dbraw/zinc/56/41/68/825564168.db2.gz OKQBUZNBWINKQQ-NSHDSACASA-N 2 0 261.391 -0.261 20 0 CBADRP [NH3+]CCS(=O)(=O)NCC1(c2cccnc2)CC[NH2+]CC1 ZINC001238857916 825567440 /nfs/dbraw/zinc/56/74/40/825567440.db2.gz XFPJCXQWTIOOII-UHFFFAOYSA-N 2 0 298.412 -0.419 20 0 CBADRP [NH3+]CCS(=O)(=O)NC1(Cc2cccnc2)CC[NH2+]CC1 ZINC001238846726 825568313 /nfs/dbraw/zinc/56/83/13/825568313.db2.gz YVCWOQNNWVHCRB-UHFFFAOYSA-N 2 0 298.412 -0.376 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1C=C[C@H]2C[NH2+]C[C@H]21 ZINC001238893132 825569999 /nfs/dbraw/zinc/56/99/99/825569999.db2.gz ZYWIUDCXVAUXKF-YNEHKIRRSA-N 2 0 285.413 -0.321 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](NS(=O)(=O)CC[NH3+])[C@H](C)C1 ZINC001238912353 825571163 /nfs/dbraw/zinc/57/11/63/825571163.db2.gz LIGHDRDUGLOLTO-GHMZBOCLSA-N 2 0 263.407 -0.017 20 0 CBADRP C[C@@H]1CCN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CC[C@H]1C[NH3+] ZINC001238943653 825574960 /nfs/dbraw/zinc/57/49/60/825574960.db2.gz QNBIPBRGUDSTCA-GRYCIOLGSA-N 2 0 275.418 -0.015 20 0 CBADRP C[C@@H]1CCN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC001238943654 825575306 /nfs/dbraw/zinc/57/53/06/825575306.db2.gz QNBIPBRGUDSTCA-IJLUTSLNSA-N 2 0 275.418 -0.015 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001238949267 825576365 /nfs/dbraw/zinc/57/63/65/825576365.db2.gz SSHGBXAUZFRKNL-SECBINFHSA-N 2 0 253.343 -0.572 20 0 CBADRP [NH3+]C[C@@H]1CN(S(=O)(=O)[C@H]2CC[NH2+]C2)CCC1(F)F ZINC001238953761 825577059 /nfs/dbraw/zinc/57/70/59/825577059.db2.gz RHDOSAWXXWQSOQ-BDAKNGLRSA-N 2 0 283.344 -0.406 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)[C@H]2CC[NH2+]C2)CCC[C@@H]1C[NH3+] ZINC001238957080 825577482 /nfs/dbraw/zinc/57/74/82/825577482.db2.gz UHSIIQWGRAQWIJ-UTUOFQBUSA-N 2 0 275.418 -0.015 20 0 CBADRP [NH3+][C@@H]1C[C@@H](F)CN(S(=O)(=O)[C@H]2CC[NH2+]C2)C1 ZINC001238970178 825579275 /nfs/dbraw/zinc/57/92/75/825579275.db2.gz HQYOMMWEVPIHJT-HLTSFMKQSA-N 2 0 251.327 -0.951 20 0 CBADRP [NH3+]C[C@H]1CCCCN(S(=O)(=O)[C@H]2CC[NH2+]C2)C1 ZINC001238983866 825580349 /nfs/dbraw/zinc/58/03/49/825580349.db2.gz NCLIPEGENXFIKQ-MNOVXSKESA-N 2 0 261.391 -0.261 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001239007036 825582663 /nfs/dbraw/zinc/58/26/63/825582663.db2.gz ZZCYMIGIXQUPNZ-LLVKDONJSA-N 2 0 261.391 -0.117 20 0 CBADRP O=S(=O)([C@@H]1CC[NH2+]C1)N1CCCC[C@@]12CC[NH2+]C2 ZINC001239043938 825583963 /nfs/dbraw/zinc/58/39/63/825583963.db2.gz ZCUQNOJCKVGPDI-NEPJUHHUSA-N 2 0 273.402 -0.104 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001239046247 825583970 /nfs/dbraw/zinc/58/39/70/825583970.db2.gz KAENNJYXKROCFI-NSHDSACASA-N 2 0 261.391 -0.117 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001239047039 825584115 /nfs/dbraw/zinc/58/41/15/825584115.db2.gz OKUYKOVUJFWVBC-NWDGAFQWSA-N 2 0 273.402 -0.391 20 0 CBADRP [NH3+]CCS(=O)(=O)N1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001239049879 825584180 /nfs/dbraw/zinc/58/41/80/825584180.db2.gz KOXIXDROWQDHDM-YUMQZZPRSA-N 2 0 287.307 -0.641 20 0 CBADRP [NH3+]CCS(=O)(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001239073421 825585389 /nfs/dbraw/zinc/58/53/89/825585389.db2.gz MZEIUKSFQVVMCV-BDAKNGLRSA-N 2 0 265.354 -0.716 20 0 CBADRP C[Si](C)(C)CCS(=O)(=O)N(CC[NH3+])CC[NH3+] ZINC001239097744 825586969 /nfs/dbraw/zinc/58/69/69/825586969.db2.gz VUICHXOOJWCKKJ-UHFFFAOYSA-N 2 0 267.471 -0.126 20 0 CBADRP [NH3+][C@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1(F)F ZINC001239099851 825587824 /nfs/dbraw/zinc/58/78/24/825587824.db2.gz YFURENSSAIQSOE-JTQLQIEISA-N 2 0 297.371 -0.016 20 0 CBADRP [NH3+][C@]12CC[C@H]1CN(S(=O)(=O)CC1CC[NH2+]CC1)C2 ZINC001239108555 825588530 /nfs/dbraw/zinc/58/85/30/825588530.db2.gz VSGLXAGAQDOFMY-RYUDHWBXSA-N 2 0 273.402 -0.261 20 0 CBADRP [NH3+][C@@]12CC[C@@H]1CN(S(=O)(=O)CC1CC[NH2+]CC1)C2 ZINC001239108556 825588903 /nfs/dbraw/zinc/58/89/03/825588903.db2.gz VSGLXAGAQDOFMY-VXGBXAGGSA-N 2 0 273.402 -0.261 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(S(=O)(=O)CC[NH3+])C[C@H]2C1 ZINC001239133719 825593050 /nfs/dbraw/zinc/59/30/50/825593050.db2.gz SVVUNTOTWFKUPM-GHMZBOCLSA-N 2 0 261.391 -0.452 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@@H]2[NH2+]C[C@H]2C1 ZINC001239127288 825591291 /nfs/dbraw/zinc/59/12/91/825591291.db2.gz CUYUKUKXRCHMQG-QWRGUYRKSA-N 2 0 259.375 -0.781 20 0 CBADRP Cc1c[nH+]ccc1N1CCN(S(=O)(=O)CC[NH3+])CC1 ZINC001239154069 825595232 /nfs/dbraw/zinc/59/52/32/825595232.db2.gz VJFNMNKPCNHWPP-UHFFFAOYSA-N 2 0 284.385 -0.199 20 0 CBADRP [NH3+][C@@H]1CN(C(=S)NCC[NH+]2CCCCC2)CC[C@H]1O ZINC001239413486 825603597 /nfs/dbraw/zinc/60/35/97/825603597.db2.gz UXVCPBMPHPMMHT-VXGBXAGGSA-N 2 0 286.445 -0.259 20 0 CBADRP [NH3+]C[C@H]1CN(C(=S)NCC[NH+]2CCCCC2)C[C@H]1O ZINC001239415065 825603958 /nfs/dbraw/zinc/60/39/58/825603958.db2.gz IGRFANPYOAFZDF-NWDGAFQWSA-N 2 0 286.445 -0.402 20 0 CBADRP c1nn(C2C[NH2+]C2)cc1-c1ccnc(N2CC[NH2+]CC2)n1 ZINC001241589647 825608801 /nfs/dbraw/zinc/60/88/01/825608801.db2.gz PLGFAKPIFGZZOA-UHFFFAOYSA-N 2 0 285.355 -0.106 20 0 CBADRP [NH3+]Cc1cc(-c2cnc(N3CC[NH2+]CC3)nc2)ncn1 ZINC001241895008 825609100 /nfs/dbraw/zinc/60/91/00/825609100.db2.gz LZGCFWGHITTZJS-UHFFFAOYSA-N 2 0 271.328 -0.198 20 0 CBADRP c1nn(C2C[NH2+]C2)cc1-c1cnc(N2CC[NH2+]CC2)nc1 ZINC001241602884 825609456 /nfs/dbraw/zinc/60/94/56/825609456.db2.gz OIMYBRZRTHPHTP-UHFFFAOYSA-N 2 0 285.355 -0.106 20 0 CBADRP O[C@H](CN[C@H]1CC[NH2+]C[C@@H]1F)CC1(O)CC[NH2+]CC1 ZINC001245973977 825616513 /nfs/dbraw/zinc/61/65/13/825616513.db2.gz LUEBLPSZMYWXAK-SRVKXCTJSA-N 2 0 275.368 -0.859 20 0 CBADRP O[C@H](CN[C@H]1CCC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245978811 825616542 /nfs/dbraw/zinc/61/65/42/825616542.db2.gz FTEMQCWLKTZXAI-RYUDHWBXSA-N 2 0 257.378 -0.807 20 0 CBADRP CC(C)OC[C@@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001245972980 825616712 /nfs/dbraw/zinc/61/67/12/825616712.db2.gz IYJDUMGLXQVWCE-SDDRHHMPSA-N 2 0 264.341 -0.576 20 0 CBADRP C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)CC2(O)CC[NH2+]CC2)C[NH2+]1 ZINC001245977556 825616911 /nfs/dbraw/zinc/61/69/11/825616911.db2.gz WRIJRJQCGBABKX-RDBSUJKOSA-N 3 0 285.432 -0.170 20 0 CBADRP O[C@]1(CNC2CN(C3CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC001245989010 825617463 /nfs/dbraw/zinc/61/74/63/825617463.db2.gz KEYVMOMFEFGSCI-CQSZACIVSA-N 2 0 268.405 -0.873 20 0 CBADRP O[C@@]1(CNC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCC[NH2+]C1 ZINC001245988258 825617579 /nfs/dbraw/zinc/61/75/79/825617579.db2.gz VAQJHOXKCNYTSE-ZFWWWQNUSA-N 3 0 282.432 -0.435 20 0 CBADRP O[C@]1(CNC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCC[NH2+]C1 ZINC001245988255 825617612 /nfs/dbraw/zinc/61/76/12/825617612.db2.gz VAQJHOXKCNYTSE-DZGCQCFKSA-N 3 0 282.432 -0.435 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001245984517 825617996 /nfs/dbraw/zinc/61/79/96/825617996.db2.gz NKVRTIBJVHTUAK-JHJVBQTASA-N 3 0 271.405 -0.289 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245982609 825617818 /nfs/dbraw/zinc/61/78/18/825617818.db2.gz LLBCDZUBMPGAAY-JHJVBQTASA-N 2 0 271.405 -0.561 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+]C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001245989289 825617868 /nfs/dbraw/zinc/61/78/68/825617868.db2.gz FQTJFTUDRYRXDA-MELADBBJSA-N 3 0 285.432 -0.313 20 0 CBADRP O[C@@H](CN[C@@H]1CCCC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245986945 825618097 /nfs/dbraw/zinc/61/80/97/825618097.db2.gz AHMFHMCMFRCNAN-CHWSQXEVSA-N 2 0 271.405 -0.416 20 0 CBADRP C[C@@H]1CC[C@@H](CNC[C@H](O)CC2(O)CC[NH2+]CC2)[NH2+]C1 ZINC001245990533 825618185 /nfs/dbraw/zinc/61/81/85/825618185.db2.gz JGNMXLVRWHDPFI-HZSPNIEDSA-N 2 0 285.432 -0.170 20 0 CBADRP OC1(C[NH2+]C2CN(C3CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC001245989135 825618468 /nfs/dbraw/zinc/61/84/68/825618468.db2.gz LUQMHXVEJVQBFM-UHFFFAOYSA-N 3 0 268.405 -0.873 20 0 CBADRP C[C@@H]1CC[C@H](CNC[C@@H](O)CC2(O)CC[NH2+]CC2)[NH2+]C1 ZINC001245990540 825618590 /nfs/dbraw/zinc/61/85/90/825618590.db2.gz JGNMXLVRWHDPFI-MCIONIFRSA-N 2 0 285.432 -0.170 20 0 CBADRP CCOC[C@@H](O)C[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001245992297 825619366 /nfs/dbraw/zinc/61/93/66/825619366.db2.gz YRWFYXIQYATMSV-ZDUSSCGKSA-N 2 0 257.378 -0.590 20 0 CBADRP O[C@H](C[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F)CC1(O)CC[NH2+]CC1 ZINC001246011774 825620481 /nfs/dbraw/zinc/62/04/81/825620481.db2.gz JUGUQHHHLHHWDH-AVGNSLFASA-N 3 0 289.395 -0.611 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN[C@@H](CCC[NH3+])C(=O)OC ZINC001246008126 825620735 /nfs/dbraw/zinc/62/07/35/825620735.db2.gz OAFZMCUZWBIQPU-NEPJUHHUSA-N 2 0 275.393 -0.441 20 0 CBADRP [NH3+]CCNCC[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246007369 825621350 /nfs/dbraw/zinc/62/13/50/825621350.db2.gz KOBYATFHJOPZLY-UONOGXRCSA-N 3 0 266.389 -0.945 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C[C@H](O)COC(C)(C)C ZINC001246020380 825622092 /nfs/dbraw/zinc/62/20/92/825622092.db2.gz OTZDWPKVLKZJJP-RYUDHWBXSA-N 2 0 289.420 -0.004 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN[C@@H](CCCC[NH3+])C(=O)NC ZINC001246019737 825622567 /nfs/dbraw/zinc/62/25/67/825622567.db2.gz MSMPQTADNMHBEC-OLZOCXBDSA-N 2 0 288.436 -0.478 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN1CCNC[C@]12CC[NH2+]C2 ZINC001246024405 825623704 /nfs/dbraw/zinc/62/37/04/825623704.db2.gz FQHYGNJPOWMKPJ-UONOGXRCSA-N 2 0 270.421 -0.674 20 0 CBADRP C[C@@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CCC[C@H]1C[NH3+] ZINC001246024183 825623833 /nfs/dbraw/zinc/62/38/33/825623833.db2.gz QVSOKAQNDXXIAA-ILXRZTDVSA-N 2 0 285.432 -0.014 20 0 CBADRP C[C@@]1([NH3+])CCC[N@H+](C[C@@H](O)CN2CCOCC2)CC1 ZINC001246021617 825624245 /nfs/dbraw/zinc/62/42/45/825624245.db2.gz ODDNPPDPZAMAHY-ZIAGYGMSSA-N 2 0 271.405 -0.117 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246024289 825624758 /nfs/dbraw/zinc/62/47/58/825624758.db2.gz UOLMBKZWVJRQMU-TZMCWYRMSA-N 3 0 273.421 -0.089 20 0 CBADRP [NH3+]C[C@]1(O)CCCCN(C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001246025086 825626777 /nfs/dbraw/zinc/62/67/77/825626777.db2.gz SGFPXCOFHJAHON-CHWSQXEVSA-N 2 0 257.378 -0.723 20 0 CBADRP CCCOC[C@H](O)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246032417 825628009 /nfs/dbraw/zinc/62/80/09/825628009.db2.gz SSKWYRNWNUYZDY-CYBMUJFWSA-N 2 0 271.405 -0.199 20 0 CBADRP O[C@]1(CN2CC[NH2+]C[C@]3(CCCCN3)C2)CC[NH2+]C1 ZINC001246030338 825628161 /nfs/dbraw/zinc/62/81/61/825628161.db2.gz RTANJPZJOYXTCU-ZIAGYGMSSA-N 2 0 268.405 -0.872 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN1C[C@@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246052845 825630206 /nfs/dbraw/zinc/63/02/06/825630206.db2.gz PEJKFMDRVDRWFI-SDDRHHMPSA-N 2 0 273.377 -0.879 20 0 CBADRP O[C@@H](C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1)CC1(O)CC[NH2+]CC1 ZINC001246051445 825630432 /nfs/dbraw/zinc/63/04/32/825630432.db2.gz JNSKYIQSLXUNCV-QLFBSQMISA-N 3 0 297.443 -0.217 20 0 CBADRP O[C@H](CN1CC[NH2+]CCNCC[NH2+]CC1)c1ccccc1 ZINC001246053021 825630471 /nfs/dbraw/zinc/63/04/71/825630471.db2.gz GSYGUELQIAVPCX-MRXNPFEDSA-N 2 0 292.427 -0.196 20 0 CBADRP COC(=O)[C@@H]1CN(C[C@H](O)C[NH2+]C(C)(C)C)C[C@@H]1[NH3+] ZINC001246052490 825630478 /nfs/dbraw/zinc/63/04/78/825630478.db2.gz MVYAMMOGXWSFQB-MXWKQRLJSA-N 2 0 273.377 -0.833 20 0 CBADRP O[C@H](CN1CCOCC1)C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246054466 825630766 /nfs/dbraw/zinc/63/07/66/825630766.db2.gz ZQMNVHHUOHZZJV-QLFBSQMISA-N 2 0 283.416 -0.389 20 0 CBADRP CCC[C@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246059137 825631415 /nfs/dbraw/zinc/63/14/15/825631415.db2.gz YXMGUMGCHWLKKE-ZDUSSCGKSA-N 2 0 258.410 -0.768 20 0 CBADRP C[C@@H]1CN(C[C@H](O)CC2(O)CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC001246068001 825632188 /nfs/dbraw/zinc/63/21/88/825632188.db2.gz GLBRQPSNXPHRDK-FRRDWIJNSA-N 2 0 271.405 -0.466 20 0 CBADRP O[C@@]1(C[NH2+][C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]C[C@@H]1F ZINC001246079836 825633921 /nfs/dbraw/zinc/63/39/21/825633921.db2.gz FRJGRUGSQANSHH-CKIKVBCHSA-N 3 0 257.353 -0.364 20 0 CBADRP O=C1C[C@H](C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246079920 825634075 /nfs/dbraw/zinc/63/40/75/825634075.db2.gz GBKJWLDFKQBPLA-MNOVXSKESA-N 2 0 252.362 -0.804 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CN1 ZINC001246095855 825634327 /nfs/dbraw/zinc/63/43/27/825634327.db2.gz GMIPJQIMRZIGOR-BJDJZHNGSA-N 2 0 255.362 -0.132 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001246086246 825634831 /nfs/dbraw/zinc/63/48/31/825634831.db2.gz ZMCGDDBZFURAFW-HNCHTBHHSA-N 2 0 274.336 -0.020 20 0 CBADRP O[C@@]1(C[NH2+][C@H]2CCC[C@H](n3ncnn3)C2)CC[NH2+]C[C@@H]1F ZINC001246088032 825634909 /nfs/dbraw/zinc/63/49/09/825634909.db2.gz HPWYDNSWLXEJGK-ZDEQEGDKSA-N 2 0 298.366 -0.191 20 0 CBADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246089684 825635093 /nfs/dbraw/zinc/63/50/93/825635093.db2.gz RYHVRGVYQKGHBU-GHMZBOCLSA-N 3 0 274.359 -0.085 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCCN2CC[NH2+]CC2)CN1 ZINC001246115057 825635798 /nfs/dbraw/zinc/63/57/98/825635798.db2.gz QEFCGCWCBPEKSE-STQMWFEESA-N 2 0 284.404 -0.835 20 0 CBADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246103234 825636025 /nfs/dbraw/zinc/63/60/25/825636025.db2.gz WSBARCUNRDAODG-CQSZACIVSA-N 3 0 281.448 -0.693 20 0 CBADRP CN(C(=O)CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C1CC1 ZINC001246107518 825636115 /nfs/dbraw/zinc/63/61/15/825636115.db2.gz BYIUBYTWFJKZGL-NSHDSACASA-N 2 0 266.389 -0.319 20 0 CBADRP O=C(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1 ZINC001246107136 825636164 /nfs/dbraw/zinc/63/61/64/825636164.db2.gz GSIPMDWANFSVSJ-FUNVUKJBSA-N 3 0 266.389 -0.319 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+][C@H](C)C2)CN1 ZINC001246100287 825636349 /nfs/dbraw/zinc/63/63/49/825636349.db2.gz MMPCKPQOFFNRIW-WYUUTHIRSA-N 2 0 255.362 -0.132 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246097891 825636770 /nfs/dbraw/zinc/63/67/70/825636770.db2.gz IMLWFZSGYVOMIG-YNEHKIRRSA-N 3 0 252.406 -0.084 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C2CC3(C2)CC[NH2+]C3)CN1 ZINC001246127785 825637211 /nfs/dbraw/zinc/63/72/11/825637211.db2.gz QIBBRHHQHXYYQE-URAGZPLESA-N 2 0 253.346 -0.378 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2COC3(C2)CC[NH2+]CC3)CN1 ZINC001246127167 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C(C[C@@H]1CCOC12C[NH2+]C2)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246140095 825640631 /nfs/dbraw/zinc/64/06/31/825640631.db2.gz YSOFGTIXTPGYTG-OLZOCXBDSA-N 3 0 280.416 -0.561 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@]23C[NH2+][C@@H](CO2)C3)CN1 ZINC001246146069 825641116 /nfs/dbraw/zinc/64/11/16/825641116.db2.gz XXEZLVAJBLJEJZ-DCQANWLSSA-N 2 0 269.345 -1.000 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)CN1 ZINC001246148557 825641135 /nfs/dbraw/zinc/64/11/35/825641135.db2.gz FNURYYKDGRCDOR-VLJOUNFMSA-N 2 0 283.372 -0.754 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@H]1CO[C@]3(CC[NH2+]C3)C1)CCN2 ZINC001246148944 825641231 /nfs/dbraw/zinc/64/12/31/825641231.db2.gz BBVBNGCEFXPBDN-YRGRVCCFSA-N 3 0 266.389 -0.809 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246148477 825641447 /nfs/dbraw/zinc/64/14/47/825641447.db2.gz SOXSEEMVWFKYBM-KGLIPLIRSA-N 3 0 293.459 -0.456 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CO[C@@]3(CC[NH2+]C3)C2)CN1 ZINC001246149702 825642076 /nfs/dbraw/zinc/64/20/76/825642076.db2.gz DYAYVGAVVBVKQR-ZPFDUUQYSA-N 2 0 269.345 -1.000 20 0 CBADRP NC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246149872 825642457 /nfs/dbraw/zinc/64/24/57/825642457.db2.gz VJRISEUARFBVOD-KBPBESRZSA-N 2 0 288.395 -0.233 20 0 CBADRP NC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246149886 825642629 /nfs/dbraw/zinc/64/26/29/825642629.db2.gz VJRISEUARFBVOD-KGLIPLIRSA-N 2 0 288.395 -0.233 20 0 CBADRP CC[C@@H]1C[C@H](N[C@]23CC[NH2+][C@@H]2CC(=O)N3)CC[NH2+]1 ZINC001246152051 825642740 /nfs/dbraw/zinc/64/27/40/825642740.db2.gz OBCGASFGNYRRQY-UZWSLXQKSA-N 2 0 252.362 -0.315 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)N1 ZINC001246155109 825643445 /nfs/dbraw/zinc/64/34/45/825643445.db2.gz XOUZTETUDQSUCO-ZUDIRPEPSA-N 2 0 264.373 -0.173 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CO[C@@]3(CC[NH2+]C3)C2)CN1 ZINC001246155444 825643546 /nfs/dbraw/zinc/64/35/46/825643546.db2.gz YKOZUVPGQLMPJH-OPDFLTKYSA-N 2 0 283.372 -0.609 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001246159712 825643633 /nfs/dbraw/zinc/64/36/33/825643633.db2.gz ZNSBLIYJICQLCA-XDQVBPFNSA-N 3 0 280.416 -0.706 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CN1 ZINC001246156859 825643667 /nfs/dbraw/zinc/64/36/67/825643667.db2.gz PBCWCYASMMIISZ-PJSNJIKXSA-N 2 0 283.372 -0.896 20 0 CBADRP Cc1noc(CC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)n1 ZINC001246172283 825644234 /nfs/dbraw/zinc/64/42/34/825644234.db2.gz OFJZSHNBXRAJSD-SNVBAGLBSA-N 2 0 251.334 -0.396 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H]([NH3+])CC2)CN1 ZINC001246162470 825644365 /nfs/dbraw/zinc/64/43/65/825644365.db2.gz DTFSKUQQEMKCFM-KKOKHZNYSA-N 2 0 255.362 -0.003 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2COC3(C2)CC[NH2+]CC3)CN1 ZINC001246166433 825644648 /nfs/dbraw/zinc/64/46/48/825644648.db2.gz 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ZINC001246226562 825653067 /nfs/dbraw/zinc/65/30/67/825653067.db2.gz APCMGMAQFDHWLN-UWVGGRQHSA-N 2 0 254.334 -0.544 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@H]2F)CN1 ZINC001246221227 825653331 /nfs/dbraw/zinc/65/33/31/825653331.db2.gz JPDSPQFTCPTUFQ-YFKTTZPYSA-N 2 0 273.352 -0.183 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCN2CC[NH+](C(C)C)CC2)CN1 ZINC001246236624 825654050 /nfs/dbraw/zinc/65/40/50/825654050.db2.gz NFSDBTGYFKRSNP-KGLIPLIRSA-N 2 0 298.431 -0.495 20 0 CBADRP O[C@H](C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC001246230667 825654104 /nfs/dbraw/zinc/65/41/04/825654104.db2.gz RCTSOESPBGXICS-CHWSQXEVSA-N 3 0 268.405 -0.970 20 0 CBADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246235252 825654340 /nfs/dbraw/zinc/65/43/40/825654340.db2.gz QUSSUVWRVJXRLQ-CQSZACIVSA-N 3 0 282.432 -0.626 20 0 CBADRP CC(=O)N1CCC[C@H](C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246240667 825655179 /nfs/dbraw/zinc/65/51/79/825655179.db2.gz SXDJYLYTALBFBW-KGLIPLIRSA-N 2 0 280.416 -0.072 20 0 CBADRP COC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246247124 825655259 /nfs/dbraw/zinc/65/52/59/825655259.db2.gz WOYZUGRNFMNWDO-QWRGUYRKSA-N 2 0 253.346 -0.282 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCN(C)CC2)CC[NH2+]1 ZINC001246254448 825656123 /nfs/dbraw/zinc/65/61/23/825656123.db2.gz HNBRPWHRODUEHD-CHWSQXEVSA-N 2 0 268.405 -0.119 20 0 CBADRP COc1nccc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)n1 ZINC001246259351 825656359 /nfs/dbraw/zinc/65/63/59/825656359.db2.gz OBPYRLPJZHRXGQ-SNVBAGLBSA-N 2 0 263.345 -0.331 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@H]1CO[C@]3(C1)CCC[NH2+]C3)CCN2 ZINC001246259128 825656989 /nfs/dbraw/zinc/65/69/89/825656989.db2.gz ZHIQTONVASNDJE-NFAWXSAZSA-N 3 0 280.416 -0.419 20 0 CBADRP O[C@@H](C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1ccccn1 ZINC001246264659 825657401 /nfs/dbraw/zinc/65/74/01/825657401.db2.gz CLZIMPSWLFWNJD-YPMHNXCESA-N 2 0 262.357 -0.201 20 0 CBADRP COC(=O)CC(CC(=O)OC)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246273132 825658477 /nfs/dbraw/zinc/65/84/77/825658477.db2.gz SFTQOWHOZLUARQ-SNVBAGLBSA-N 2 0 299.371 -0.835 20 0 CBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)O1 ZINC001246285184 825659547 /nfs/dbraw/zinc/65/95/47/825659547.db2.gz GMELZSAESHISGS-SYQHCUMBSA-N 3 0 298.431 -0.605 20 0 CBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)O1 ZINC001246285179 825659590 /nfs/dbraw/zinc/65/95/90/825659590.db2.gz GMELZSAESHISGS-DGAVXFQQSA-N 3 0 298.431 -0.605 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246291968 825660433 /nfs/dbraw/zinc/66/04/33/825660433.db2.gz WKJQIQROZCIFTG-KBPBESRZSA-N 3 0 289.420 -0.275 20 0 CBADRP C[C@H]1CC[C@H](NCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246288101 825660714 /nfs/dbraw/zinc/66/07/14/825660714.db2.gz LLEFHPYYMATPJR-KBPBESRZSA-N 2 0 289.420 -0.275 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246298785 825662541 /nfs/dbraw/zinc/66/25/41/825662541.db2.gz FTMJRMXGDWRHLQ-DDHJBXDOSA-N 2 0 255.362 -0.132 20 0 CBADRP OC[C@@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1ccncc1 ZINC001246310881 825663792 /nfs/dbraw/zinc/66/37/92/825663792.db2.gz OIQFZWVXRWIJCD-QWHCGFSZSA-N 2 0 262.357 -0.201 20 0 CBADRP NC[C@]1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CN2CCC1CC2 ZINC001246322602 825664373 /nfs/dbraw/zinc/66/43/73/825664373.db2.gz BEBBMPFIJASXPJ-ZFWWWQNUSA-N 2 0 279.432 -0.907 20 0 CBADRP OC[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CCOC1 ZINC001246326640 825664518 /nfs/dbraw/zinc/66/45/18/825664518.db2.gz FWQDHMNMGYIJNX-UTUOFQBUSA-N 2 0 255.362 -0.933 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246330787 825665070 /nfs/dbraw/zinc/66/50/70/825665070.db2.gz UWOXSQAOZWVUKK-QCNOEVLYSA-N 2 0 255.362 -0.132 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CSCCN1 ZINC001246335258 825665611 /nfs/dbraw/zinc/66/56/11/825665611.db2.gz HFZCEKAVKFAGDE-WDEREUQCSA-N 2 0 256.419 -0.625 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCSCC[NH3+])CN1 ZINC001246340062 825666739 /nfs/dbraw/zinc/66/67/39/825666739.db2.gz SRYYLMWIEANVRI-ZJUUUORDSA-N 2 0 261.391 -0.439 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246352817 825668009 /nfs/dbraw/zinc/66/80/09/825668009.db2.gz ZQWBFTUTZWVZAM-GMTAPVOTSA-N 2 0 253.346 -0.521 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCO[C@@H]2CC[NH2+]C2)CN1 ZINC001246366445 825668692 /nfs/dbraw/zinc/66/86/92/825668692.db2.gz IYSOZLSDFOTWQU-UTUOFQBUSA-N 2 0 271.361 -0.752 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCO[C@H]2CC[NH2+]C2)CN1 ZINC001246366446 825668837 /nfs/dbraw/zinc/66/88/37/825668837.db2.gz IYSOZLSDFOTWQU-WOPDTQHZSA-N 2 0 271.361 -0.752 20 0 CBADRP CNC(=O)N1CCC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246359925 825668968 /nfs/dbraw/zinc/66/89/68/825668968.db2.gz PVNWNOHBRPHRKY-LBPRGKRZSA-N 2 0 281.404 -0.526 20 0 CBADRP COCCN1CCC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246358834 825669134 /nfs/dbraw/zinc/66/91/34/825669134.db2.gz JLIFINZDAVWDQT-AWEZNQCLSA-N 2 0 282.432 -0.219 20 0 CBADRP CC(C)C(=O)N1CC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246359977 825669314 /nfs/dbraw/zinc/66/93/14/825669314.db2.gz DFLOJGQIXQRGAL-STQMWFEESA-N 2 0 280.416 -0.073 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CC[NH2+]CC3)C2)CN1 ZINC001246368462 825669361 /nfs/dbraw/zinc/66/93/61/825669361.db2.gz CKFNQOLEURCSGF-BZPMIXESSA-N 2 0 296.415 -0.694 20 0 CBADRP O=C([C@@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)C[NH2+]1)N1CCSC1 ZINC001246356280 825669517 /nfs/dbraw/zinc/66/95/17/825669517.db2.gz GCPZNRHOXFDMLH-WOPDTQHZSA-N 2 0 284.429 -0.409 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CCOCCN2C(=O)C=CC2=O)CC[NH2+]1 ZINC001246357554 825669590 /nfs/dbraw/zinc/66/95/90/825669590.db2.gz VYFUZGMEYMNIRO-NWDGAFQWSA-N 2 0 281.356 -0.342 20 0 CBADRP COCCn1cnc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246384911 825670197 /nfs/dbraw/zinc/67/01/97/825670197.db2.gz MPWBVANULGWBES-LBPRGKRZSA-N 2 0 279.388 -0.287 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001246400130 825670650 /nfs/dbraw/zinc/67/06/50/825670650.db2.gz CSZDRLOWMOYIRN-YATPEIPISA-N 2 0 271.361 -0.624 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])N[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246400145 825670720 /nfs/dbraw/zinc/67/07/20/825670720.db2.gz DEHMNXCDLLEJJZ-QCNOEVLYSA-N 2 0 255.362 -0.146 20 0 CBADRP COC(=O)C1C[C@@H]2CC([NH2+]CCNCC[NH3+])C[C@H](C1)[NH2+]2 ZINC001246406891 825671747 /nfs/dbraw/zinc/67/17/47/825671747.db2.gz VTAWKVXUWMICEP-BPNZPQAUSA-N 3 0 284.404 -0.804 20 0 CBADRP CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]CCNCC[NH3+])CN1 ZINC001246407282 825671841 /nfs/dbraw/zinc/67/18/41/825671841.db2.gz YENJJPWCAOJNOH-MNOVXSKESA-N 2 0 272.393 -0.804 20 0 CBADRP CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]CCNCC[NH3+])CN1 ZINC001246407285 825671863 /nfs/dbraw/zinc/67/18/63/825671863.db2.gz YENJJPWCAOJNOH-QWRGUYRKSA-N 2 0 272.393 -0.804 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCCNCCC[NH3+])CN1 ZINC001246450179 825673714 /nfs/dbraw/zinc/67/37/14/825673714.db2.gz BZTRAOABMUDDQV-NEPJUHHUSA-N 2 0 272.393 -0.802 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCCNCCC[NH3+])CCN1 ZINC001246455045 825674296 /nfs/dbraw/zinc/67/42/96/825674296.db2.gz WBSPAEYFXPEGLK-NEPJUHHUSA-N 2 0 272.393 -0.802 20 0 CBADRP CC[C@]1(C(=O)OC)C[C@@H]([NH2+]CCCNCCC[NH3+])CN1 ZINC001246453418 825674319 /nfs/dbraw/zinc/67/43/19/825674319.db2.gz NULWZIAUAZFPEZ-TZMCWYRMSA-N 2 0 286.420 -0.412 20 0 CBADRP [NH3+]CCCC[NH2+]CCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246456170 825674845 /nfs/dbraw/zinc/67/48/45/825674845.db2.gz IHRLDEUVMFTMNA-ZDUSSCGKSA-N 4 0 269.437 -0.611 20 0 CBADRP CN(C)C(=O)C1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCC1 ZINC001246465362 825674956 /nfs/dbraw/zinc/67/49/56/825674956.db2.gz WVRXFBOYOKDKCN-LLVKDONJSA-N 2 0 266.389 -0.319 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3COC3)CC2)CN1 ZINC001246461380 825675298 /nfs/dbraw/zinc/67/52/98/825675298.db2.gz BEXWANQANBXBNA-JSGCOSHPSA-N 2 0 297.399 -0.410 20 0 CBADRP C1CC12C[NH2+]CC[C@H]2[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246475278 825676225 /nfs/dbraw/zinc/67/62/25/825676225.db2.gz UOUIQCCGIQAWSL-VXGBXAGGSA-N 3 0 250.390 -0.188 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)CN1 ZINC001246479090 825676308 /nfs/dbraw/zinc/67/63/08/825676308.db2.gz SANDIVGJOOYQHI-MLGHIDQZSA-N 2 0 265.357 -0.356 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CCN1 ZINC001246477971 825676333 /nfs/dbraw/zinc/67/63/33/825676333.db2.gz RSKOBWUTBFUPFF-BJDJZHNGSA-N 2 0 273.352 -0.183 20 0 CBADRP CC[NH+](CC)CCNC(=[NH2+])N[C@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246495721 825677422 /nfs/dbraw/zinc/67/74/22/825677422.db2.gz QKCBDLQFNDMFIT-RYUDHWBXSA-N 2 0 299.419 -0.264 20 0 CBADRP C1CC1[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C1C[NH2+]C1 ZINC001246517820 825678259 /nfs/dbraw/zinc/67/82/59/825678259.db2.gz MWLFENOBBXMBIQ-OLZOCXBDSA-N 3 0 250.390 -0.332 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCC2(C[NH2+]C2)C1 ZINC001246510779 825678848 /nfs/dbraw/zinc/67/88/48/825678848.db2.gz HRYRSMSHXSKWJT-RYUDHWBXSA-N 3 0 268.405 -0.038 20 0 CBADRP C1CC1[C@@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C1C[NH2+]C1 ZINC001246517822 825679173 /nfs/dbraw/zinc/67/91/73/825679173.db2.gz MWLFENOBBXMBIQ-QWHCGFSZSA-N 3 0 250.390 -0.332 20 0 CBADRP COC(=O)N1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246522301 825679517 /nfs/dbraw/zinc/67/95/17/825679517.db2.gz BVDKJXONYQDEJW-LLVKDONJSA-N 2 0 268.361 -0.536 20 0 CBADRP CC[C@@H]([NH2+][C@@H]1CC[C@@H](C(=O)OC)NC1)C1C[NH2+]C1 ZINC001246519627 825680153 /nfs/dbraw/zinc/68/01/53/825680153.db2.gz SWUIWFPGVLYJAS-UTUOFQBUSA-N 2 0 255.362 -0.132 20 0 CBADRP COCC[NH+](CCOC)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246519968 825680346 /nfs/dbraw/zinc/68/03/46/825680346.db2.gz FSKBAUWTDKWOHV-LBPRGKRZSA-N 2 0 257.378 -0.325 20 0 CBADRP CC[C@H]([NH2+][C@H]1CC[C@@H](C(=O)OC)NC1)C1C[NH2+]C1 ZINC001246519621 825680399 /nfs/dbraw/zinc/68/03/99/825680399.db2.gz SWUIWFPGVLYJAS-SRVKXCTJSA-N 2 0 255.362 -0.132 20 0 CBADRP CN(C)C(=O)N1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246522850 825680436 /nfs/dbraw/zinc/68/04/36/825680436.db2.gz GYAKORMUUPJIQD-GFCCVEGCSA-N 2 0 281.404 -0.620 20 0 CBADRP [NH3+][C@H]1CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@H]1F ZINC001246527183 825681912 /nfs/dbraw/zinc/68/19/12/825681912.db2.gz SPRDEXQAWNSXIQ-ZNSHCXBVSA-N 2 0 288.392 -0.769 20 0 CBADRP C[N@H+](CCN1CCOCC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246528317 825681934 /nfs/dbraw/zinc/68/19/34/825681934.db2.gz WTZLODGOERMZNF-CYBMUJFWSA-N 2 0 268.405 -0.656 20 0 CBADRP COC(=O)[C@H]1C[C@@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)CN1 ZINC001246542347 825682767 /nfs/dbraw/zinc/68/27/67/825682767.db2.gz JWRDBNPKSSBNMP-NQBHXWOUSA-N 2 0 271.361 -0.934 20 0 CBADRP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246545438 825683303 /nfs/dbraw/zinc/68/33/03/825683303.db2.gz VZFBXJIEOSGEKQ-UKRRQHHQSA-N 2 0 299.415 -0.201 20 0 CBADRP C[C@@H](CC(=O)N1CCOCC1)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246545435 825683364 /nfs/dbraw/zinc/68/33/64/825683364.db2.gz VZFBXJIEOSGEKQ-DZGCQCFKSA-N 2 0 299.415 -0.201 20 0 CBADRP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)CCN1 ZINC001246541930 825683424 /nfs/dbraw/zinc/68/34/24/825683424.db2.gz HTDUVPMAFHLNBV-YDHLFZDLSA-N 2 0 299.415 -0.154 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)CCN1 ZINC001246544370 825683533 /nfs/dbraw/zinc/68/35/33/825683533.db2.gz RESXEMLZLZOVRB-DYEKYZERSA-N 2 0 285.388 -0.544 20 0 CBADRP C[C@@H]1[C@H]([NH3+])CCN1[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246548366 825683883 /nfs/dbraw/zinc/68/38/83/825683883.db2.gz IABHQVQXNXAQKC-KKOKHZNYSA-N 2 0 284.429 -0.329 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246555064 825684136 /nfs/dbraw/zinc/68/41/36/825684136.db2.gz BFNUUDNBWRXZRN-QWRGUYRKSA-N 3 0 274.359 -0.004 20 0 CBADRP [NH3+][C@@H]1CC[N@@H+](C2CCN(C(=O)C(F)(F)F)CC2)C[C@H]1O ZINC001246556723 825684611 /nfs/dbraw/zinc/68/46/11/825684611.db2.gz CTYZSLVNNRKUHZ-NXEZZACHSA-N 2 0 295.305 -0.066 20 0 CBADRP [NH3+]C[C@]1(O)CCCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246557441 825684859 /nfs/dbraw/zinc/68/48/59/825684859.db2.gz INEBBMLQPDSPFG-GXTWGEPZSA-N 3 0 268.405 -0.744 20 0 CBADRP [NH3+]C[C@]1(O)CCCC[N@@H+]([C@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246560016 825686717 /nfs/dbraw/zinc/68/67/17/825686717.db2.gz ORUIRXLNCKNOFQ-QWHCGFSZSA-N 3 0 269.389 -0.317 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)CCN1 ZINC001246562519 825686851 /nfs/dbraw/zinc/68/68/51/825686851.db2.gz STAFYXHHUWIFLU-MBNYWOFBSA-N 2 0 285.388 -0.544 20 0 CBADRP COCCC[NH+]1CCC(N2CC[C@@H](O)[C@H]([NH3+])C2)CC1 ZINC001246576149 825688711 /nfs/dbraw/zinc/68/87/11/825688711.db2.gz QYWVMJWQJMGHTQ-ZIAGYGMSSA-N 2 0 271.405 -0.119 20 0 CBADRP C[C@@]1(O)CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1F ZINC001246577052 825688820 /nfs/dbraw/zinc/68/88/20/825688820.db2.gz QIKUHJPWQVDQNK-SDDRHHMPSA-N 2 0 257.353 -0.125 20 0 CBADRP COC(=O)N1CCC([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246579355 825688849 /nfs/dbraw/zinc/68/88/49/825688849.db2.gz IPYRGGNADSJJKM-GXSJLCMTSA-N 2 0 257.334 -0.531 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCN[C@@H](C(F)(F)F)C2)C[C@@H]1O ZINC001246582531 825690178 /nfs/dbraw/zinc/69/01/78/825690178.db2.gz GWDRFIFFBDSFBG-AATLWQCWSA-N 2 0 267.295 -0.079 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C)N1[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246586898 825690291 /nfs/dbraw/zinc/69/02/91/825690291.db2.gz PUZIAFFZFVTGJU-RNJOBUHISA-N 2 0 298.456 -0.068 20 0 CBADRP N[C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246585935 825690565 /nfs/dbraw/zinc/69/05/65/825690565.db2.gz YTBNAHXCCUHKIH-UWVGGRQHSA-N 2 0 260.332 -0.251 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+](C2CCC([NH+]3CCOCC3)CC2)C[C@H]1O ZINC001246586016 825690664 /nfs/dbraw/zinc/69/06/64/825690664.db2.gz PNXCGUMPTFMXTJ-VXGQWTEUSA-N 3 0 283.416 -0.119 20 0 CBADRP CCN(CC)C(=O)C[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246581221 825691455 /nfs/dbraw/zinc/69/14/55/825691455.db2.gz RMOLEUWBMQXPBJ-SDDRHHMPSA-N 2 0 257.378 -0.115 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+](C2CCN(C(=O)C(F)(F)F)CC2)C[C@H]1O ZINC001246589309 825692112 /nfs/dbraw/zinc/69/21/12/825692112.db2.gz ZNCPQRVBCULMBB-WCBMZHEXSA-N 2 0 295.305 -0.209 20 0 CBADRP C[C@]1(O)COCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246593962 825692241 /nfs/dbraw/zinc/69/22/41/825692241.db2.gz UNJCVEZBIPTYTO-NWDGAFQWSA-N 2 0 255.362 -0.836 20 0 CBADRP CCOC(=O)C1=C(O)CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246590795 825692782 /nfs/dbraw/zinc/69/27/82/825692782.db2.gz AGMRMPVFEJKYDV-RYUDHWBXSA-N 2 0 295.383 -0.466 20 0 CBADRP COC[C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246595734 825693012 /nfs/dbraw/zinc/69/30/12/825693012.db2.gz VJYVDJOXVGIZAZ-NEPJUHHUSA-N 2 0 254.378 -0.999 20 0 CBADRP C1C[C@H]2CC(N3CCOC[C@]4(C[NH2+]CCO4)C3)C[C@@H]1[NH2+]2 ZINC001246602975 825693673 /nfs/dbraw/zinc/69/36/73/825693673.db2.gz KXUXGEUQVQWYDA-IXXDHKBRSA-N 2 0 281.400 -0.040 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCNC3(CC[NH2+]CC3)C1)CCO2 ZINC001246598446 825693830 /nfs/dbraw/zinc/69/38/30/825693830.db2.gz BHQPCCZSQOOYJB-CYBMUJFWSA-N 2 0 280.416 -0.465 20 0 CBADRP C[C@@H]1CC[C@@H](N2CCOC[C@@]3(C[NH2+]CCO3)C2)C[NH2+]1 ZINC001246599337 825693920 /nfs/dbraw/zinc/69/39/20/825693920.db2.gz CHTSCUAAMKNDNY-MGPQQGTHSA-N 2 0 269.389 -0.182 20 0 CBADRP C1C[C@H]2CC(N3CCOC[C@@]4(C[NH2+]CCO4)C3)C[C@@H]1[NH2+]2 ZINC001246602976 825694057 /nfs/dbraw/zinc/69/40/57/825694057.db2.gz KXUXGEUQVQWYDA-IZGVIRRGSA-N 2 0 281.400 -0.040 20 0 CBADRP C1[NH2+]CC12CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246601633 825694097 /nfs/dbraw/zinc/69/40/97/825694097.db2.gz KOSYYVFESFLZHO-GFCCVEGCSA-N 3 0 250.390 -0.234 20 0 CBADRP C[C@@H]1C[C@H](N2CCOC[C@]3(C[NH2+]CCO3)C2)CC[NH2+]1 ZINC001246598507 825694212 /nfs/dbraw/zinc/69/42/12/825694212.db2.gz AUMFCLWQHOAAMR-MCIONIFRSA-N 2 0 269.389 -0.182 20 0 CBADRP C[C@@H]1CC[C@H](N2CCOC[C@@]3(C[NH2+]CCO3)C2)C[NH2+]1 ZINC001246599334 825694375 /nfs/dbraw/zinc/69/43/75/825694375.db2.gz CHTSCUAAMKNDNY-HZSPNIEDSA-N 2 0 269.389 -0.182 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](F)CN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246605901 825694407 /nfs/dbraw/zinc/69/44/07/825694407.db2.gz RTJYFYZTHQWZIP-MXWKQRLJSA-N 2 0 271.336 -0.334 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CC3(C1)CCC[NH2+]C3)CCN2 ZINC001246602723 825694538 /nfs/dbraw/zinc/69/45/38/825694538.db2.gz CIEXTAURJJPLAQ-LBPRGKRZSA-N 2 0 250.390 -0.234 20 0 CBADRP O=C1CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@]2(CC[NH2+]C2)CN1 ZINC001246618192 825694988 /nfs/dbraw/zinc/69/49/88/825694988.db2.gz JHVBGTKTNRCKHI-BRZZBQFESA-N 2 0 264.373 -0.567 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CC[C@@]3(CCC[NH2+]3)C1)CCN2 ZINC001246611880 825695390 /nfs/dbraw/zinc/69/53/90/825695390.db2.gz DSHAEYMIZRHPKB-STQMWFEESA-N 2 0 250.390 -0.092 20 0 CBADRP O[C@@H]1COC2(C1)CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246612155 825695421 /nfs/dbraw/zinc/69/54/21/825695421.db2.gz FPMRQLQQECQTFO-OLZOCXBDSA-N 2 0 281.400 -0.304 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCOCC3(CC[NH2+]CC3)C2)CN1 ZINC001246616343 825695588 /nfs/dbraw/zinc/69/55/88/825695588.db2.gz VUDWCPJLBNCQAQ-OLZOCXBDSA-N 2 0 297.399 -0.408 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CC[C@@]3(CCC[NH2+]3)C1)CCN2 ZINC001246611877 825695610 /nfs/dbraw/zinc/69/56/10/825695610.db2.gz DSHAEYMIZRHPKB-OLZOCXBDSA-N 2 0 250.390 -0.092 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CCNC[C@@]13CC[NH2+]C3)CS2 ZINC001246620900 825696353 /nfs/dbraw/zinc/69/63/53/825696353.db2.gz BOPOXJHNMJUUAG-RYUDHWBXSA-N 2 0 268.430 -0.529 20 0 CBADRP O=C1COC2(C1)CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246623902 825696434 /nfs/dbraw/zinc/69/64/34/825696434.db2.gz LZQMPLLSZXOVMN-LBPRGKRZSA-N 2 0 279.384 -0.096 20 0 CBADRP C[C@@H]1CC[C@@H](N2CC(=O)NC3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246623166 825696453 /nfs/dbraw/zinc/69/64/53/825696453.db2.gz BFTPEPIMAYEOGR-VXGBXAGGSA-N 2 0 266.389 -0.319 20 0 CBADRP C1C[NH2+]C[C@H](N2CCO[C@]3(C2)C[NH2+]CCOC3)C1 ZINC001246623622 825696568 /nfs/dbraw/zinc/69/65/68/825696568.db2.gz BCCXKLZXNBNQME-OLZOCXBDSA-N 2 0 255.362 -0.571 20 0 CBADRP C1[NH2+]CC12CC[C@H](N1CCNC[C@@]13CC[NH2+]C3)C2 ZINC001246624449 825696619 /nfs/dbraw/zinc/69/66/19/825696619.db2.gz NBENOWFBBVOTOF-JSGCOSHPSA-N 2 0 250.390 -0.234 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@H]3C[NH2+]CC[C@H]31)CCN2 ZINC001246625095 825697062 /nfs/dbraw/zinc/69/70/62/825697062.db2.gz QZJZMKZCSAZWJZ-YNEHKIRRSA-N 3 0 250.390 -0.236 20 0 CBADRP C1[NH2+]CC12CC[C@@H](N1CCNC[C@@]13CC[NH2+]C3)C2 ZINC001246624452 825697119 /nfs/dbraw/zinc/69/71/19/825697119.db2.gz NBENOWFBBVOTOF-OCCSQVGLSA-N 2 0 250.390 -0.234 20 0 CBADRP C[C@H]1C[C@H](N2CC(=O)NC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246626580 825697803 /nfs/dbraw/zinc/69/78/03/825697803.db2.gz JUWJVZFNOXYCMV-NWDGAFQWSA-N 2 0 266.389 -0.319 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CC[NH2+]C[C@@]3(CCCCN3)C1)CCO2 ZINC001246628886 825698335 /nfs/dbraw/zinc/69/83/35/825698335.db2.gz MJAKXKOAWJWETK-CABCVRRESA-N 2 0 294.443 -0.075 20 0 CBADRP O=C1NCC[C@@]12CN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC21C[NH2+]C1 ZINC001246630676 825698347 /nfs/dbraw/zinc/69/83/47/825698347.db2.gz ULYPKQPLAXNXCE-TUURBPCVSA-N 2 0 290.411 -0.319 20 0 CBADRP O=C1CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC2(CC[NH2+]CC2)N1 ZINC001246630561 825698434 /nfs/dbraw/zinc/69/84/34/825698434.db2.gz SSSZLXSFIZEZIX-FUNVUKJBSA-N 2 0 278.400 -0.177 20 0 CBADRP O=C1NCC[C@]12CN([C@H]1CCC[NH2+]C1)CC21C[NH2+]C1 ZINC001246630566 825698447 /nfs/dbraw/zinc/69/84/47/825698447.db2.gz SVDAWKTYWMLCRY-FZMZJTMJSA-N 2 0 264.373 -0.850 20 0 CBADRP C[C@@H]1CC[C@@H](N2CCO[C@@]3(C2)C[NH2+]CCOC3)C[NH2+]1 ZINC001246627481 825698451 /nfs/dbraw/zinc/69/84/51/825698451.db2.gz KEZPJWMVJOEHJD-MGPQQGTHSA-N 2 0 269.389 -0.182 20 0 CBADRP C[C@@H]1CC[C@H](N2CCO[C@]3(C2)C[NH2+]CCOC3)C[NH2+]1 ZINC001246627484 825698486 /nfs/dbraw/zinc/69/84/86/825698486.db2.gz KEZPJWMVJOEHJD-RDBSUJKOSA-N 2 0 269.389 -0.182 20 0 CBADRP O=C1NCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C12C[NH2+]C2 ZINC001246637985 825699167 /nfs/dbraw/zinc/69/91/67/825699167.db2.gz RAVICXBFJYRSIT-ZACCUICWSA-N 2 0 250.346 -0.957 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CN1 ZINC001246636658 825699450 /nfs/dbraw/zinc/69/94/50/825699450.db2.gz VWKDEUFWULBDIX-ZOBORPQBSA-N 2 0 297.399 -0.410 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCN[C@@]3(CC[NH2+]C3)C1)CCO2 ZINC001246640727 825700354 /nfs/dbraw/zinc/70/03/54/825700354.db2.gz GVFCALYIRYPYMW-QWHCGFSZSA-N 3 0 266.389 -0.855 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCN[C@]3(CC[NH2+]C3)C1)CCO2 ZINC001246640728 825700478 /nfs/dbraw/zinc/70/04/78/825700478.db2.gz GVFCALYIRYPYMW-STQMWFEESA-N 3 0 266.389 -0.855 20 0 CBADRP CCN1CC[C@@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1=O ZINC001246642039 825701293 /nfs/dbraw/zinc/70/12/93/825701293.db2.gz LCVOYXUAKVNUCP-TZMCWYRMSA-N 2 0 266.389 -0.365 20 0 CBADRP O=C1C[C@@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CCN1C1CC1 ZINC001246643736 825701417 /nfs/dbraw/zinc/70/14/17/825701417.db2.gz PWZUYFDHHJSMMB-DZGCQCFKSA-N 2 0 278.400 -0.223 20 0 CBADRP O=C1CC[C@@H]2C[C@H]([N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)CCN12 ZINC001246645326 825702167 /nfs/dbraw/zinc/70/21/67/825702167.db2.gz UHNWDHSDBWJNIH-NFAWXSAZSA-N 2 0 278.400 -0.223 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCOC[C@]3(CCC[NH2+]C3)C1)CCN2 ZINC001246645369 825702970 /nfs/dbraw/zinc/70/29/70/825702970.db2.gz KOSVQMLBVASUNC-GJZGRUSLSA-N 3 0 294.443 -0.218 20 0 CBADRP c1nnc2n1CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246646954 825703007 /nfs/dbraw/zinc/70/30/07/825703007.db2.gz YBSBSGTXLDIEAO-NSHDSACASA-N 2 0 262.361 -0.770 20 0 CBADRP O=C1CCC[C@]2(C[NH2+]CCN(C3CC[NH2+]CC3)C2)N1 ZINC001246655182 825704075 /nfs/dbraw/zinc/70/40/75/825704075.db2.gz XWECCKXXHRJKPT-CQSZACIVSA-N 2 0 266.389 -0.318 20 0 CBADRP OC[C@@H]1C[C@@H]2OCC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)[C@H]2C1 ZINC001246662028 825704342 /nfs/dbraw/zinc/70/43/42/825704342.db2.gz VGTCZIKUTNKBRM-CRWXNKLISA-N 2 0 281.400 -0.448 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH+]2CCC(C3C[NH2+]C3)CC2)CN1 ZINC001246680265 825706069 /nfs/dbraw/zinc/70/60/69/825706069.db2.gz SZPBSIUKUBWTAQ-STQMWFEESA-N 2 0 267.373 -0.179 20 0 CBADRP CC(=O)N1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246691124 825706510 /nfs/dbraw/zinc/70/65/10/825706510.db2.gz DFKSHXPBFJJXJU-LBPRGKRZSA-N 2 0 252.362 -0.756 20 0 CBADRP COCCN1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246683069 825706715 /nfs/dbraw/zinc/70/67/15/825706715.db2.gz YJSGZAWVFCNMRS-ZDUSSCGKSA-N 2 0 268.405 -0.656 20 0 CBADRP CC(=O)N1CCC2(C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246763705 825709081 /nfs/dbraw/zinc/70/90/81/825709081.db2.gz CJXJWXHYKVMEPX-CYBMUJFWSA-N 2 0 278.400 -0.365 20 0 CBADRP CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246749658 825709098 /nfs/dbraw/zinc/70/90/98/825709098.db2.gz RSUWYHYLIWNMLL-JHJVBQTASA-N 2 0 278.400 -0.225 20 0 CBADRP COCCN1C[C@@H]2C[N@@H+]([C@@H]3CCC[NH2+]C3)C[C@@H]2C1=O ZINC001246755301 825709484 /nfs/dbraw/zinc/70/94/84/825709484.db2.gz KKJBETVKCBEXJJ-UPJWGTAASA-N 2 0 267.373 -0.225 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CC[NH+](C3CCOCC3)CC1)CCN2 ZINC001246787662 825709928 /nfs/dbraw/zinc/70/99/28/825709928.db2.gz DXFLUVITXVBGBP-HNNXBMFYSA-N 2 0 294.443 -0.123 20 0 CBADRP NC(=O)[C@H]1CCCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246794052 825711599 /nfs/dbraw/zinc/71/15/99/825711599.db2.gz WFRAMQULKNTNRM-WDEREUQCSA-N 2 0 252.362 -0.580 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN([C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246797147 825712258 /nfs/dbraw/zinc/71/22/58/825712258.db2.gz MGCYZQLHTNFAAN-WYUUTHIRSA-N 2 0 255.362 -0.051 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246795981 825712318 /nfs/dbraw/zinc/71/23/18/825712318.db2.gz DJKSKMFRZWUPMT-WISYIIOYSA-N 2 0 255.362 -0.051 20 0 CBADRP CCOC(=O)[C@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246817316 825714783 /nfs/dbraw/zinc/71/47/83/825714783.db2.gz RDFLQHQBVCYUAW-RYUDHWBXSA-N 2 0 267.373 -0.035 20 0 CBADRP COC(=O)C[C@@H]1C[NH2+]CCN1[C@H]1CCCC[NH2+]C1 ZINC001246812427 825714844 /nfs/dbraw/zinc/71/48/44/825714844.db2.gz CXTDOLYBSDPDNS-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP CCOC(=O)CC[N@H+](C)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246814241 825715021 /nfs/dbraw/zinc/71/50/21/825715021.db2.gz ORRVXSJYSJSGSN-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP COC(=O)C1(N)CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246812857 825715424 /nfs/dbraw/zinc/71/54/24/825715424.db2.gz IVUNITNWTGDPAH-LLVKDONJSA-N 2 0 282.388 -0.953 20 0 CBADRP C1C[NH+]2CCC1C[C@H](N1CC[NH2+]CCNCC[NH2+]CC1)C2 ZINC001246820631 825715954 /nfs/dbraw/zinc/71/59/54/825715954.db2.gz KLZIPDPFIUKDFM-INIZCTEOSA-N 3 0 295.475 -0.445 20 0 CBADRP C1COC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246821287 825716377 /nfs/dbraw/zinc/71/63/77/825716377.db2.gz NTAVTFIGXYHJRT-CYBMUJFWSA-N 2 0 256.394 -0.750 20 0 CBADRP CN(C1COC1)C1C[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246820751 825716480 /nfs/dbraw/zinc/71/64/80/825716480.db2.gz JZGFVHUJONYFLB-LLVKDONJSA-N 2 0 266.389 -0.905 20 0 CBADRP C1[NH2+]CC12CC[C@H]([NH+]1CCNCC[NH2+]CCNCC1)C2 ZINC001246819706 825716590 /nfs/dbraw/zinc/71/65/90/825716590.db2.gz HUTFILYYQBAYQU-AWEZNQCLSA-N 3 0 281.448 -0.787 20 0 CBADRP C1C[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)CS1 ZINC001246822880 825717266 /nfs/dbraw/zinc/71/72/66/825717266.db2.gz TUBYZOZJAVEFRV-GFCCVEGCSA-N 2 0 258.435 -0.424 20 0 CBADRP C1C[C@H]2CC(N3CC[NH2+]CCNCC[NH2+]CC3)C[C@@H]1[NH2+]2 ZINC001246822995 825717280 /nfs/dbraw/zinc/71/72/80/825717280.db2.gz UDPAORXJNIBZAO-YIONKMFJSA-N 3 0 281.448 -0.646 20 0 CBADRP CC(=O)N1CCC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246824427 825717521 /nfs/dbraw/zinc/71/75/21/825717521.db2.gz XIIHZUSCDBUUIW-HNNXBMFYSA-N 2 0 297.447 -0.918 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246824542 825717629 /nfs/dbraw/zinc/71/76/29/825717629.db2.gz YUKMPPTXQBEDNN-CQSZACIVSA-N 3 0 269.437 -0.835 20 0 CBADRP [NH3+]CCN(CC[NH3+])[C@H]1CCN[C@@H](C(F)(F)F)C1 ZINC001246833031 825719318 /nfs/dbraw/zinc/71/93/18/825719318.db2.gz QZEQBEHBMFNMHL-DTWKUNHWSA-N 2 0 254.300 -0.111 20 0 CBADRP C[N@H+](CCN1CC[NH+](C)CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246851661 825720180 /nfs/dbraw/zinc/72/01/80/825720180.db2.gz ZNDRJFJJGZQOIL-CQSZACIVSA-N 3 0 281.448 -0.740 20 0 CBADRP CCN([C@@H]1CC[NH2+]C1)[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246850847 825720417 /nfs/dbraw/zinc/72/04/17/825720417.db2.gz LJYOICDRLCIURJ-UPJWGTAASA-N 2 0 298.456 -0.066 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)CN1 ZINC001246847127 825720813 /nfs/dbraw/zinc/72/08/13/825720813.db2.gz PODYKZGPZZZIAY-BJDJZHNGSA-N 2 0 253.346 -0.569 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)CN1 ZINC001246847132 825720906 /nfs/dbraw/zinc/72/09/06/825720906.db2.gz PODYKZGPZZZIAY-WYUUTHIRSA-N 2 0 253.346 -0.569 20 0 CBADRP Cn1cnc2c1CCN([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246854698 825722902 /nfs/dbraw/zinc/72/29/02/825722902.db2.gz FWXMYILDNVFASC-LLVKDONJSA-N 2 0 261.373 -0.128 20 0 CBADRP COC(=O)[C@H]([NH3+])C1CCN([C@H]2CCC[NH2+]C2)CC1 ZINC001246864875 825724722 /nfs/dbraw/zinc/72/47/22/825724722.db2.gz PTNNKJVWLHNTAR-NWDGAFQWSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[C@@]1(C(=O)OC)C[C@H]([N@H+](C)CCN2CC[NH2+]CC2)CN1 ZINC001246871364 825725243 /nfs/dbraw/zinc/72/52/43/825725243.db2.gz QVYMNVKDBLYUPA-ZFWWWQNUSA-N 2 0 298.431 -0.493 20 0 CBADRP CC[C@]1(C(=O)OC)C[C@H]([N@H+](C)CCN2CC[NH2+]CC2)CN1 ZINC001246871361 825726082 /nfs/dbraw/zinc/72/60/82/825726082.db2.gz QVYMNVKDBLYUPA-DZGCQCFKSA-N 2 0 298.431 -0.493 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](C)N1[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246883882 825726807 /nfs/dbraw/zinc/72/68/07/825726807.db2.gz PUZIAFFZFVTGJU-LPWJVIDDSA-N 2 0 298.456 -0.068 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH+]1CCC(N3CC[NH2+]CC3)CC1)CCN2 ZINC001246887937 825727137 /nfs/dbraw/zinc/72/71/37/825727137.db2.gz RAKLWVJAUMRYOS-OAHLLOKOSA-N 3 0 293.459 -0.550 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246907106 825729761 /nfs/dbraw/zinc/72/97/61/825729761.db2.gz PQNYKJBFQLXKEB-BBBLOLIVSA-N 2 0 271.386 -0.592 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246901866 825729308 /nfs/dbraw/zinc/72/93/08/825729308.db2.gz AORIAVVKRLLGQX-MXWKQRLJSA-N 2 0 253.346 -0.297 20 0 CBADRP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2C[C@@H]3C[NH2+]C[C@@H]32)CN1 ZINC001246914303 825730324 /nfs/dbraw/zinc/73/03/24/825730324.db2.gz BZQPSFSKLRLYEB-BJDJZHNGSA-N 2 0 267.373 -0.038 20 0 CBADRP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2C[C@H]3C[NH2+]C[C@@H]32)CN1 ZINC001246914315 825730365 /nfs/dbraw/zinc/73/03/65/825730365.db2.gz BZQPSFSKLRLYEB-RHYQMDGZSA-N 2 0 267.373 -0.038 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246908804 825730476 /nfs/dbraw/zinc/73/04/76/825730476.db2.gz VGIZMLZISUYJTE-MJDLHHQISA-N 2 0 253.346 -0.441 20 0 CBADRP COC(=O)C1C[C@@H]2CC(N3C[C@H]4C[NH2+]C[C@H]43)C[C@H](C1)[NH2+]2 ZINC001246922354 825730870 /nfs/dbraw/zinc/73/08/70/825730870.db2.gz VWRSTBCXNITDEF-JLYLPDGGSA-N 2 0 279.384 -0.038 20 0 CBADRP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246921253 825731384 /nfs/dbraw/zinc/73/13/84/825731384.db2.gz OGXBQQWFMJSGPD-CYBMUJFWSA-N 4 0 297.447 -0.756 20 0 CBADRP C[C@@H]1CC[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C[NH2+]1 ZINC001246922111 825731637 /nfs/dbraw/zinc/73/16/37/825731637.db2.gz VBQYDYJFHYNERM-CHWSQXEVSA-N 3 0 285.436 -0.757 20 0 CBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@H]1CCC[NH2+]CC1 ZINC001246917953 825731695 /nfs/dbraw/zinc/73/16/95/825731695.db2.gz CBTNYNDUHSHSLR-ZDUSSCGKSA-N 3 0 285.436 -0.756 20 0 CBADRP CC(=O)N(C)[C@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246920228 825731759 /nfs/dbraw/zinc/73/17/59/825731759.db2.gz DCJWEIYOWHVNGN-STQMWFEESA-N 2 0 266.389 -0.367 20 0 CBADRP CC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246920222 825731859 /nfs/dbraw/zinc/73/18/59/825731859.db2.gz DCJWEIYOWHVNGN-CHWSQXEVSA-N 2 0 266.389 -0.367 20 0 CBADRP CC[N@H+](CCC(=O)OC)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246926131 825732690 /nfs/dbraw/zinc/73/26/90/825732690.db2.gz RLHARBNFVBVVPJ-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H]1C[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C[C@H](C)[NH2+]1 ZINC001246925087 825733256 /nfs/dbraw/zinc/73/32/56/825733256.db2.gz LDXWTQXOEMMENN-BTTYYORXSA-N 3 0 299.463 -0.369 20 0 CBADRP COC(=O)[C@@H]1CN([C@H]2CC[NH2+]C(C)(C)C2)C[C@H]1[NH3+] ZINC001246932638 825733848 /nfs/dbraw/zinc/73/38/48/825733848.db2.gz QMIBLNRRUVVDBG-HBNTYKKESA-N 2 0 255.362 -0.051 20 0 CBADRP COC(=O)[C@@H]1C[N@@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H]1N ZINC001246931342 825734644 /nfs/dbraw/zinc/73/46/44/825734644.db2.gz NVEAAGAXAUVHRS-IIRVCBMXSA-N 2 0 253.346 -0.584 20 0 CBADRP COC(=O)[C@@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1[NH3+] ZINC001246931811 825734741 /nfs/dbraw/zinc/73/47/41/825734741.db2.gz OGVXKPZKBPNTBT-IIRVCBMXSA-N 2 0 253.346 -0.299 20 0 CBADRP COC(=O)[C@H]1CN([C@H]2CC[NH2+][C@@H](C)C2)CC[C@@H]1[NH3+] ZINC001246947188 825735752 /nfs/dbraw/zinc/73/57/52/825735752.db2.gz JJVSZMAPQIWQTO-BJDJZHNGSA-N 2 0 255.362 -0.051 20 0 CBADRP CC(C)(O)CCN1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246942879 825735777 /nfs/dbraw/zinc/73/57/77/825735777.db2.gz RHBNGRLIYQVVNO-AWEZNQCLSA-N 2 0 296.459 -0.141 20 0 CBADRP COC(=O)[C@H]1CN([C@H]2CC[NH2+][C@H](C)C2)CC[C@@H]1[NH3+] ZINC001246947190 825736176 /nfs/dbraw/zinc/73/61/76/825736176.db2.gz JJVSZMAPQIWQTO-RHYQMDGZSA-N 2 0 255.362 -0.051 20 0 CBADRP [NH3+][C@H]1CCN(C2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246964281 825737288 /nfs/dbraw/zinc/73/72/88/825737288.db2.gz CFHOCROKCOBPTJ-DZGCQCFKSA-N 3 0 293.459 -0.422 20 0 CBADRP C[C@@H]1CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@@H](C)[NH2+]1 ZINC001246968389 825737912 /nfs/dbraw/zinc/73/79/12/825737912.db2.gz MKADHEPHUSIKQL-NDBYEHHHSA-N 2 0 298.456 -0.068 20 0 CBADRP C([C@H]1CN([C@H]2CCNC3(C[NH2+]C3)C2)CCO1)[NH+]1CCCC1 ZINC001246978069 825737958 /nfs/dbraw/zinc/73/79/58/825737958.db2.gz IXSBOCPYDATFCT-GJZGRUSLSA-N 2 0 294.443 -0.123 20 0 CBADRP CN(C)C(=O)NC1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246960594 825738140 /nfs/dbraw/zinc/73/81/40/825738140.db2.gz WPDXSWIMVRHABB-CYBMUJFWSA-N 2 0 295.431 -0.184 20 0 CBADRP COCCCN([C@@H]1CC[NH2+]C1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246986561 825739402 /nfs/dbraw/zinc/73/94/02/825739402.db2.gz LJQAKWKQJIWRER-UONOGXRCSA-N 2 0 282.432 -0.219 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](N(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)CN1 ZINC001246985868 825739527 /nfs/dbraw/zinc/73/95/27/825739527.db2.gz LEODHSUPEVRXJT-MJBXVCDLSA-N 2 0 298.431 -0.495 20 0 CBADRP COCCCN([C@@H]1CC[NH2+]C1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246986562 825739712 /nfs/dbraw/zinc/73/97/12/825739712.db2.gz LJQAKWKQJIWRER-ZIAGYGMSSA-N 2 0 282.432 -0.219 20 0 CBADRP COC(=O)[C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC12CC2 ZINC001246991864 825740716 /nfs/dbraw/zinc/74/07/16/825740716.db2.gz DAHIXLXDCGOTCD-NWDGAFQWSA-N 2 0 279.384 -0.035 20 0 CBADRP C[NH+](C)CCNC(=S)NCC1CC[NH+](CCO)CC1 ZINC001249845744 825749623 /nfs/dbraw/zinc/74/96/23/825749623.db2.gz JFELZOZPRLTBGW-UHFFFAOYSA-N 2 0 288.461 -0.284 20 0 CBADRP C[NH+]1CCC2(C[NH+](C[C@@H](O)CN3CCOCC3)C2)CC1 ZINC001251020070 825763680 /nfs/dbraw/zinc/76/36/80/825763680.db2.gz CNSADHKBGSKSIM-AWEZNQCLSA-N 2 0 283.416 -0.293 20 0 CBADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H](O)CN1CCOCC1)C2 ZINC001251035841 825767881 /nfs/dbraw/zinc/76/78/81/825767881.db2.gz PKKVMDMJUCIHFQ-XGUBFFRZSA-N 2 0 283.416 -0.106 20 0 CBADRP C[NH+](C)CCC(C)(C)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC001251039098 825769934 /nfs/dbraw/zinc/76/99/34/825769934.db2.gz BZCUMOJSXKTNJX-CYBMUJFWSA-N 2 0 273.421 -0.001 20 0 CBADRP CCOC[C@@H](O)C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001252030005 825813580 /nfs/dbraw/zinc/81/35/80/825813580.db2.gz ATBMJTCZHTZCGC-AWEZNQCLSA-N 2 0 273.421 -0.047 20 0 CBADRP C[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](O)CO)CC1 ZINC001252068271 825827149 /nfs/dbraw/zinc/82/71/49/825827149.db2.gz FNJZQSUGORJOAC-AWEZNQCLSA-N 2 0 279.384 -0.119 20 0 CBADRP COC(=O)[C@H](O)CNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001252412184 825840968 /nfs/dbraw/zinc/84/09/68/825840968.db2.gz BMWJJACLECUPEF-CYBMUJFWSA-N 2 0 294.355 -0.221 20 0 CBADRP COC(=O)[C@H](O)C[N@H+]1CCc2nc(C)[nH]c2CC1 ZINC001252415376 825843264 /nfs/dbraw/zinc/84/32/64/825843264.db2.gz MVYDDZYOGLGTLI-LLVKDONJSA-N 2 0 253.302 -0.347 20 0 CBADRP C[NH+]1CCN(CC[NH2+]C[C@@H](O)COCc2ccco2)CC1 ZINC001252652872 825879219 /nfs/dbraw/zinc/87/92/19/825879219.db2.gz XBVBESVWLBNABT-CQSZACIVSA-N 2 0 297.399 -0.006 20 0 CBADRP CC(C)OC[C@@H](O)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC001252665989 825882181 /nfs/dbraw/zinc/88/21/81/825882181.db2.gz PVNNBLYSIBPTCO-AWEZNQCLSA-N 2 0 273.421 -0.001 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@@H]1CCNC(=O)C1 ZINC001253175230 825901866 /nfs/dbraw/zinc/90/18/66/825901866.db2.gz GVVYQOCCNNZKBR-NEPJUHHUSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CN1CC[NH+](CCOC)CC1 ZINC001253181135 825902478 /nfs/dbraw/zinc/90/24/78/825902478.db2.gz ALNRMNKZXODFLS-CQSZACIVSA-N 2 0 273.421 -0.047 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CN(C)CCN1CC[NH+](C)CC1 ZINC001253187246 825902790 /nfs/dbraw/zinc/90/27/90/825902790.db2.gz CGLUGVLDBYFRPL-HNNXBMFYSA-N 2 0 286.464 -0.132 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CN1CCOC[C@@H]1C[NH+](C)C ZINC001253193662 825903698 /nfs/dbraw/zinc/90/36/98/825903698.db2.gz HCJBAAPEBXREAO-UONOGXRCSA-N 2 0 273.421 -0.049 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC001253209123 825905819 /nfs/dbraw/zinc/90/58/19/825905819.db2.gz XWLVLVQTHHTHPY-HNNXBMFYSA-N 3 0 287.448 -0.017 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1CCCNC(=O)C1 ZINC001253215433 825906377 /nfs/dbraw/zinc/90/63/77/825906377.db2.gz XPBGCMASHUOTPR-NWDGAFQWSA-N 2 0 257.378 -0.053 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@H]1CCCC(=O)N1 ZINC001253216211 825906945 /nfs/dbraw/zinc/90/69/45/825906945.db2.gz KRXQNIDZFIIILI-NEPJUHHUSA-N 2 0 257.378 -0.053 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CC1(O)CCOCC1 ZINC001253404029 825914097 /nfs/dbraw/zinc/91/40/97/825914097.db2.gz NPRXKMZVPNUJGC-NSHDSACASA-N 2 0 260.378 -0.134 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)CNCC[NH+]1CCC(O)CC1 ZINC001253406653 825914127 /nfs/dbraw/zinc/91/41/27/825914127.db2.gz TVYKITUIJROOSI-ZDUSSCGKSA-N 2 0 273.421 -0.218 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)CNCC[N@@H+]1CCC[C@@H](O)C1 ZINC001253407136 825914241 /nfs/dbraw/zinc/91/42/41/825914241.db2.gz FKOFTZWZOCPCEM-OLZOCXBDSA-N 2 0 273.421 -0.218 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCCc1c[nH][nH]c1=O ZINC001253404535 825914296 /nfs/dbraw/zinc/91/42/96/825914296.db2.gz YQOJGPBCORTPGH-QWRGUYRKSA-N 2 0 270.377 -0.163 20 0 CBADRP COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@@H]1CCC[N@H+](C)CC1 ZINC001254504032 825963631 /nfs/dbraw/zinc/96/36/31/825963631.db2.gz RLWPQOPUODHGAT-NEPJUHHUSA-N 2 0 299.419 -0.135 20 0 CBADRP CN([C@H]1CC2CC[NH+](CC2)C1)S(=O)(=O)CC[NH3+] ZINC001254835735 825970292 /nfs/dbraw/zinc/97/02/92/825970292.db2.gz IUERBIJQCNDLTQ-NSHDSACASA-N 2 0 261.391 -0.309 20 0 CBADRP [NH3+]CCN(CC[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1)N(O)N=O ZINC001254933135 825972528 /nfs/dbraw/zinc/97/25/28/825972528.db2.gz DKPDSYASIUZGQC-URLYPYJESA-N 2 0 285.348 -0.118 20 0 CBADRP COC(=O)[C@@H](N)CCCNC(=[NH2+])NC1CC[NH+](C)CC1 ZINC001256195330 826004508 /nfs/dbraw/zinc/00/45/08/826004508.db2.gz MIXOEARHIKALDF-NSHDSACASA-N 2 0 285.392 -0.525 20 0 CBADRP O=S1(=O)CCC([NH2+]CC2CC[NH+](CCO)CC2)CC1 ZINC001256378806 826019922 /nfs/dbraw/zinc/01/99/22/826019922.db2.gz CYWKGZLBHRTXMU-UHFFFAOYSA-N 2 0 290.429 -0.143 20 0 CBADRP COC(=O)[C@@H](C[NH3+])CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256615759 826028295 /nfs/dbraw/zinc/02/82/95/826028295.db2.gz UHHRFPXBMUPYBV-YEJSDXFRSA-N 2 0 255.362 -0.051 20 0 CBADRP O=C1CO[C@@H](C[NH2+]C2CCC([NH+]3CCOCC3)CC2)CN1 ZINC001256681730 826029763 /nfs/dbraw/zinc/02/97/63/826029763.db2.gz AMBQGQRIDAPVHV-RUXDESIVSA-N 2 0 297.399 -0.266 20 0 CBADRP COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]C1CC([NH3+])C1 ZINC001257921613 826053368 /nfs/dbraw/zinc/05/33/68/826053368.db2.gz XNZKGOOLHXEJIA-WHXUTIOJSA-N 2 0 292.401 -0.178 20 0 CBADRP CCOC(=O)CC[C@@H](C)[NH2+]CCN(CC[NH3+])N(O)N=O ZINC001258484660 826065854 /nfs/dbraw/zinc/06/58/54/826065854.db2.gz VYVSUZJOZYKULT-SNVBAGLBSA-N 2 0 291.352 -0.144 20 0 CBADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C(CO)(CO)CO ZINC001258899159 826069401 /nfs/dbraw/zinc/06/94/01/826069401.db2.gz GVBWTLKCYAQQLK-LBPRGKRZSA-N 2 0 262.394 -0.198 20 0 CBADRP CCC[NH+]1CCC([NH2+][C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001258765868 826070454 /nfs/dbraw/zinc/07/04/54/826070454.db2.gz FIFMCRYYXVPAEH-ZRJCITRHSA-N 2 0 272.389 -0.447 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)NCC[N@H+](C)CCOC ZINC001261376640 826509239 /nfs/dbraw/zinc/50/92/39/826509239.db2.gz UVRYHDRDPJXNGL-NSHDSACASA-N 2 0 260.382 -0.138 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[C@@H](C)[NH2+]C ZINC001261380787 826509332 /nfs/dbraw/zinc/50/93/32/826509332.db2.gz REIAVYSCUYTQHP-NEPJUHHUSA-N 2 0 286.420 -0.053 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC001261379019 826509383 /nfs/dbraw/zinc/50/93/83/826509383.db2.gz PGZKZSPZRAKHEL-OLZOCXBDSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC001261379020 826509401 /nfs/dbraw/zinc/50/94/01/826509401.db2.gz PGZKZSPZRAKHEL-QWHCGFSZSA-N 2 0 296.415 -0.156 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)c1cn(CCC[NH3+])nn1 ZINC001261434413 826510943 /nfs/dbraw/zinc/51/09/43/826510943.db2.gz GYYSYVNGMQDUOV-UHFFFAOYSA-N 2 0 268.365 -0.316 20 0 CBADRP [NH3+]C[C@H]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001261460750 826517206 /nfs/dbraw/zinc/51/72/06/826517206.db2.gz NNUODAVAIDIEBH-MNOVXSKESA-N 2 0 268.361 -0.948 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)c1cn(CCCC[NH3+])nn1 ZINC001261461113 826517669 /nfs/dbraw/zinc/51/76/69/826517669.db2.gz ZDMLBFDJWJTJKM-SECBINFHSA-N 2 0 254.338 -0.564 20 0 CBADRP CC[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)[C@H](C)O ZINC001261482739 826520988 /nfs/dbraw/zinc/52/09/88/826520988.db2.gz XSKIYXBXKGYFCD-AVGNSLFASA-N 2 0 259.394 -0.656 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC001261501678 826527955 /nfs/dbraw/zinc/52/79/55/826527955.db2.gz JRLFHPJZVRWYRL-CYBMUJFWSA-N 2 0 268.405 -0.179 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC001261636123 826551605 /nfs/dbraw/zinc/55/16/05/826551605.db2.gz ZJCLHPGPVCKUEK-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP [NH3+]CCC1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC001261643051 826552992 /nfs/dbraw/zinc/55/29/92/826552992.db2.gz DAHGDDPKMFWDMD-UHFFFAOYSA-N 2 0 266.349 -0.562 20 0 CBADRP [NH3+]C1(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCOCC1 ZINC001261818503 826585571 /nfs/dbraw/zinc/58/55/71/826585571.db2.gz ZCAWQHRWFSLBNJ-MYJAWHEDSA-N 2 0 254.334 -0.989 20 0 CBADRP [NH3+]CCCOCC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC001261836704 826594611 /nfs/dbraw/zinc/59/46/11/826594611.db2.gz JNTLTZWDYQHTRW-JTQLQIEISA-N 2 0 250.364 -0.481 20 0 CBADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC001261836708 826595222 /nfs/dbraw/zinc/59/52/22/826595222.db2.gz JTXNPKZKTTWNAS-CRWXNKLISA-N 2 0 298.431 -0.332 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CCCO1 ZINC001262008494 826618252 /nfs/dbraw/zinc/61/82/52/826618252.db2.gz OJLKJFPZGDVMAG-HBNTYKKESA-N 2 0 259.325 -0.490 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001262033749 826626062 /nfs/dbraw/zinc/62/60/62/826626062.db2.gz IQQWOCHTJMDFMK-SDDRHHMPSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001262033687 826626253 /nfs/dbraw/zinc/62/62/53/826626253.db2.gz GZVYTWOEIVNNSP-JTQLQIEISA-N 2 0 258.366 -0.702 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC001262034649 826627056 /nfs/dbraw/zinc/62/70/56/826627056.db2.gz KJVYIAFDEVPPMZ-WOPDTQHZSA-N 2 0 284.404 -0.362 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH2+]CCC12CCC2 ZINC001262042378 826627586 /nfs/dbraw/zinc/62/75/86/826627586.db2.gz KHBGWQHMSPEBPC-NSHDSACASA-N 2 0 253.346 -0.281 20 0 CBADRP CCN1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC001262117649 826638648 /nfs/dbraw/zinc/63/86/48/826638648.db2.gz UUOANFMMKRCTRW-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP C([C@@H]1CC[NH2+]C1)N1CC[NH2+]CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC001262194730 826657303 /nfs/dbraw/zinc/65/73/03/826657303.db2.gz BBOLEZQNBGDLFO-IYBDPMFKSA-N 3 0 295.475 -0.587 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001262546458 826704948 /nfs/dbraw/zinc/70/49/48/826704948.db2.gz ZGWSENFXTKEBMT-RWMBFGLXSA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001262553698 826707890 /nfs/dbraw/zinc/70/78/90/826707890.db2.gz IIDOPDOEJMMHLV-UFGOTCBOSA-N 2 0 255.362 -0.315 20 0 CBADRP C[N@@H+]1CCCN(CCC[NH2+]CCS(C)(=O)=O)CC1 ZINC001262563897 826709777 /nfs/dbraw/zinc/70/97/77/826709777.db2.gz RSOYYRUZGSZFIM-UHFFFAOYSA-N 2 0 277.434 -0.352 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CO1 ZINC001262566961 826710209 /nfs/dbraw/zinc/71/02/09/826710209.db2.gz FVECNJQWWKNRNC-AGIUHOORSA-N 2 0 257.378 -0.638 20 0 CBADRP O=C(NCCC[NH2+]C1CC1)N1CCNCC[NH2+]CC1 ZINC001262584242 826712924 /nfs/dbraw/zinc/71/29/24/826712924.db2.gz WKTLNWBUPAMFPD-UHFFFAOYSA-N 2 0 269.393 -0.667 20 0 CBADRP [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)NCCCN1CC[NH2+]CC1 ZINC001262583962 826712969 /nfs/dbraw/zinc/71/29/69/826712969.db2.gz NAWHBPDTHSBQJY-HIFRSBDPSA-N 2 0 295.431 -0.196 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001262587059 826713414 /nfs/dbraw/zinc/71/34/14/826713414.db2.gz SDPGLHNDFUCURM-OUAUKWLOSA-N 2 0 256.350 -0.728 20 0 CBADRP [NH3+][C@H](CNC(=O)NCCN1CCC([NH3+])CC1)C1CC1 ZINC001262584938 826713638 /nfs/dbraw/zinc/71/36/38/826713638.db2.gz OLBWARPZNMFSRS-GFCCVEGCSA-N 2 0 269.393 -0.554 20 0 CBADRP CC[NH2+]CCNC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001262585143 826713703 /nfs/dbraw/zinc/71/37/03/826713703.db2.gz UKQCRTZWDVGBPB-UHFFFAOYSA-N 2 0 258.366 -0.255 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001262590907 826714791 /nfs/dbraw/zinc/71/47/91/826714791.db2.gz YZCOJXGFHFSQLL-WYUUTHIRSA-N 2 0 252.362 -0.155 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001262589033 826714980 /nfs/dbraw/zinc/71/49/80/826714980.db2.gz WGLIMOBINRRPAM-RYUDHWBXSA-N 2 0 272.393 -0.151 20 0 CBADRP [NH3+]Cc1nccnc1N1CC[NH+](CCCCO)CC1 ZINC001262684086 826723367 /nfs/dbraw/zinc/72/33/67/826723367.db2.gz JAVVSUAABIIAJF-UHFFFAOYSA-N 2 0 265.361 -0.170 20 0 CBADRP CC1(C)CN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)CC[NH2+]1 ZINC001263067515 826731920 /nfs/dbraw/zinc/73/19/20/826731920.db2.gz OXZLIIKHUYWIRP-NSHDSACASA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC[C@@H]1[NH3+] ZINC001263063469 826732177 /nfs/dbraw/zinc/73/21/77/826732177.db2.gz VYYOTDNMXJKYCE-NDBYEHHHSA-N 2 0 266.389 -0.430 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC[C@H]1[NH3+] ZINC001263063471 826732197 /nfs/dbraw/zinc/73/21/97/826732197.db2.gz VYYOTDNMXJKYCE-XQHKEYJVSA-N 2 0 266.389 -0.430 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])CO)c1ccc(F)cc1 ZINC001263095237 826736408 /nfs/dbraw/zinc/73/64/08/826736408.db2.gz HNRMYKWCSJWXLF-NEPJUHHUSA-N 2 0 269.320 -0.136 20 0 CBADRP C[C@H](CNC(=O)C[C@@H](O)C[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC001263095470 826737241 /nfs/dbraw/zinc/73/72/41/826737241.db2.gz MXOWNSDSXQCPFK-IJLUTSLNSA-N 2 0 257.378 -0.067 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001263104739 826737648 /nfs/dbraw/zinc/73/76/48/826737648.db2.gz RQKYGYIBWOJUGQ-SDDRHHMPSA-N 2 0 282.388 -0.621 20 0 CBADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)C[C@H](O)C[NH3+])C1 ZINC001263101732 826738781 /nfs/dbraw/zinc/73/87/81/826738781.db2.gz AJPCWPJQOZVPGL-RYUDHWBXSA-N 2 0 257.378 -0.114 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]CCN2C)C[N@@H+]1C1CC1 ZINC001263103420 826738729 /nfs/dbraw/zinc/73/87/29/826738729.db2.gz YRSNUVMDKNAONG-MDZLAQPJSA-N 2 0 266.389 -0.369 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001263108432 826739914 /nfs/dbraw/zinc/73/99/14/826739914.db2.gz XCPVXYWHZYIILG-MFKMUULPSA-N 2 0 255.362 -0.313 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC001263114348 826740296 /nfs/dbraw/zinc/74/02/96/826740296.db2.gz LMIZAUGAUAEFDD-QWHCGFSZSA-N 2 0 268.405 -0.167 20 0 CBADRP [NH3+]CCCSCCC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001263110146 826740316 /nfs/dbraw/zinc/74/03/16/826740316.db2.gz PHMNTMQTOSPTJB-LLVKDONJSA-N 2 0 275.418 -0.047 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC001263114347 826740517 /nfs/dbraw/zinc/74/05/17/826740517.db2.gz LMIZAUGAUAEFDD-OLZOCXBDSA-N 2 0 268.405 -0.167 20 0 CBADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)CNCC[NH3+] ZINC001263112736 826740741 /nfs/dbraw/zinc/74/07/41/826740741.db2.gz PFFZZDWIYNPUER-UHFFFAOYSA-N 2 0 279.388 -0.480 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H](CC[NH3+])C(F)F ZINC001263109639 826740909 /nfs/dbraw/zinc/74/09/09/826740909.db2.gz BTWONWCFNKCTIQ-RNJXMRFFSA-N 2 0 253.293 -0.699 20 0 CBADRP C[NH2+]CCCN(C)C(=O)CCNC(=O)[C@H]([NH3+])C(C)C ZINC001263129055 826741808 /nfs/dbraw/zinc/74/18/08/826741808.db2.gz ZPYIBJOBYFXGPX-GFCCVEGCSA-N 2 0 272.393 -0.456 20 0 CBADRP [NH3+]CCC1CCN(C(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001263150791 826743861 /nfs/dbraw/zinc/74/38/61/826743861.db2.gz LJPMQMKPQKTZNI-UHFFFAOYSA-N 2 0 255.362 -0.326 20 0 CBADRP CN(CCC[NH3+])C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001263144534 826744039 /nfs/dbraw/zinc/74/40/39/826744039.db2.gz OBCZECPMJODSCU-LBPRGKRZSA-N 2 0 254.334 -0.308 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC(CC[NH3+])CC1 ZINC001263151221 826744345 /nfs/dbraw/zinc/74/43/45/826744345.db2.gz WDRNPTRVGRHPBZ-JQWIXIFHSA-N 2 0 257.378 -0.210 20 0 CBADRP [NH3+]CCNCC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001263153422 826745396 /nfs/dbraw/zinc/74/53/96/826745396.db2.gz LZDNTTOSIDFUSB-VXGBXAGGSA-N 2 0 254.378 -0.332 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001263164776 826747536 /nfs/dbraw/zinc/74/75/36/826747536.db2.gz HCEDGJJYYVKSDL-JSGCOSHPSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@]1(C)C[C@@H](O)C[NH2+]1)C2 ZINC001263169831 826748428 /nfs/dbraw/zinc/74/84/28/826748428.db2.gz YZOSWBMLVGLXHV-ZZVYKPCYSA-N 2 0 267.373 -0.443 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)C2([NH3+])CCCC2)CC1 ZINC001263192169 826752753 /nfs/dbraw/zinc/75/27/53/826752753.db2.gz PNMNHXQASGNKFM-UHFFFAOYSA-N 2 0 254.378 -0.203 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001263205824 826752899 /nfs/dbraw/zinc/75/28/99/826752899.db2.gz JTKXIUKKBQTWKB-FMCLSXCISA-N 2 0 269.389 -0.149 20 0 CBADRP O=C(N1CCNCC[NH2+]CC1)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001263210955 826753780 /nfs/dbraw/zinc/75/37/80/826753780.db2.gz ZPHCHEBPWXVKHT-DZGCQCFKSA-N 2 0 280.416 -0.070 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC001263212474 826754132 /nfs/dbraw/zinc/75/41/32/826754132.db2.gz UFCLUJVHZBVIMJ-MWLCHTKSSA-N 2 0 277.315 -0.457 20 0 CBADRP [NH3+][C@H](CC(F)F)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001263212658 826754158 /nfs/dbraw/zinc/75/41/58/826754158.db2.gz ZKOKBVTUIXFTMC-GMSGAONNSA-N 2 0 251.277 -0.719 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001263214728 826754784 /nfs/dbraw/zinc/75/47/84/826754784.db2.gz UZXSRYFAUZPLSP-NEPJUHHUSA-N 2 0 282.388 -0.619 20 0 CBADRP C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[C@H]1C[NH3+] ZINC001263214269 826755008 /nfs/dbraw/zinc/75/50/08/826755008.db2.gz NDXXGKCJPQLLRH-MNXVOIDGSA-N 2 0 267.373 -0.334 20 0 CBADRP COC1(C(=O)N2CC[C@H](CC[NH3+])C2)CC[NH2+]CC1 ZINC001263214350 826755466 /nfs/dbraw/zinc/75/54/66/826755466.db2.gz ORHCGNRSCOKFOP-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001263250718 826758557 /nfs/dbraw/zinc/75/85/57/826758557.db2.gz PCTOYBAGBBVLEO-TUAOUCFPSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2C[C@@H]([NH3+])C23CCC3)C[C@@H](O)C[NH2+]1 ZINC001263264020 826760004 /nfs/dbraw/zinc/76/00/04/826760004.db2.gz BCBKYBFMYQTYJN-DNRKLUKYSA-N 2 0 253.346 -0.515 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)CNCC[NH3+])C[C@H]2C1 ZINC001263265932 826760071 /nfs/dbraw/zinc/76/00/71/826760071.db2.gz YCUDGGSMYAGJIN-YNEHKIRRSA-N 2 0 268.405 -0.277 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[NH2+]CC1 ZINC001263262149 826760321 /nfs/dbraw/zinc/76/03/21/826760321.db2.gz ZAIIOGKPNLRWTB-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001263322145 826764024 /nfs/dbraw/zinc/76/40/24/826764024.db2.gz FNDJOPZRTWSVGR-JTQLQIEISA-N 2 0 265.361 -0.002 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001264441002 826811708 /nfs/dbraw/zinc/81/17/08/826811708.db2.gz UIQZMBJEXMIXFE-HAQNSBGRSA-N 2 0 257.378 -0.197 20 0 CBADRP C[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CC(N)=O ZINC001265000699 826829757 /nfs/dbraw/zinc/82/97/57/826829757.db2.gz BFWPLKYWTRPTLQ-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCOCCO)C1)[NH+](C)C ZINC001265312046 826879660 /nfs/dbraw/zinc/87/96/60/826879660.db2.gz GGPWXMSCGPJFCX-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@H]([NH2+]CCO)C2CC2)CCC1 ZINC001265358541 826883475 /nfs/dbraw/zinc/88/34/75/826883475.db2.gz LKVNYVQNWPRGNU-LBPRGKRZSA-N 2 0 269.389 -0.053 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]CCCO)C2CC2)C1 ZINC001265380498 826887528 /nfs/dbraw/zinc/88/75/28/826887528.db2.gz OCGCWCPASCRTIG-OLZOCXBDSA-N 2 0 269.389 -0.195 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]CCCO)C2CC2)C1 ZINC001265380501 826888456 /nfs/dbraw/zinc/88/84/56/826888456.db2.gz OCGCWCPASCRTIG-STQMWFEESA-N 2 0 269.389 -0.195 20 0 CBADRP COCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001265454653 826895545 /nfs/dbraw/zinc/89/55/45/826895545.db2.gz YHINKBHCFUUZSZ-LBPRGKRZSA-N 2 0 267.373 -0.081 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCO)C2)C1 ZINC001265507051 826900626 /nfs/dbraw/zinc/90/06/26/826900626.db2.gz DQPVIVXZUBNKHQ-IJLUTSLNSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C1)C(N)=O ZINC001265566717 826905251 /nfs/dbraw/zinc/90/52/51/826905251.db2.gz LANXGQWBDLBZFB-SDDRHHMPSA-N 2 0 284.404 -0.171 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H](C)C(N)=O ZINC001265852565 826930150 /nfs/dbraw/zinc/93/01/50/826930150.db2.gz FVYHGDLXTFBUIH-VHSXEESVSA-N 2 0 258.366 -0.704 20 0 CBADRP CC(C)[C@@H](C(=O)NCCC[N@H+](C)[C@@H]1CCNC1=O)[NH+](C)C ZINC001265866327 826931714 /nfs/dbraw/zinc/93/17/14/826931714.db2.gz PDSUEBVYEBIPDV-OLZOCXBDSA-N 2 0 298.431 -0.101 20 0 CBADRP CN1CC[C@@H]([N@H+](C)CCCNC(=O)CC[NH+](C)C)C1=O ZINC001265917050 826938797 /nfs/dbraw/zinc/93/87/97/826938797.db2.gz AIGCSSCJSVFYGJ-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP CC[C@@H](C(=O)NCCC[N@H+](C)[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001265954971 826942213 /nfs/dbraw/zinc/94/22/13/826942213.db2.gz YYJAYYJVBGWEMP-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[C@H](C(=O)NCCC[N@H+](C)[C@@H]1CCNC1=O)[NH+](C)C ZINC001265956493 826942437 /nfs/dbraw/zinc/94/24/37/826942437.db2.gz PDSUEBVYEBIPDV-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)CC(=O)N1CCC1 ZINC001265974727 826945135 /nfs/dbraw/zinc/94/51/35/826945135.db2.gz ZEHKQKCQLXFDSD-UHFFFAOYSA-N 2 0 296.415 -0.247 20 0 CBADRP C[C@H](C(N)=O)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001266174779 826959198 /nfs/dbraw/zinc/95/91/98/826959198.db2.gz UFFSNIBRHRHEPC-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCO)C1)[NH+](C)C ZINC001266246714 826963363 /nfs/dbraw/zinc/96/33/63/826963363.db2.gz VLNDGVIWABDKOK-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H](O)C[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266275167 826969409 /nfs/dbraw/zinc/96/94/09/826969409.db2.gz PIFMHBHKZLBOEH-AAEUAGOBSA-N 2 0 269.389 -0.243 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CCO)C1CC1 ZINC001266414516 826997524 /nfs/dbraw/zinc/99/75/24/826997524.db2.gz DIXKWKUNISJCEQ-STQMWFEESA-N 2 0 269.389 -0.053 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1)[NH+](C)C ZINC001266725624 827057832 /nfs/dbraw/zinc/05/78/32/827057832.db2.gz NOOKHXMVPGQULS-GRYCIOLGSA-N 2 0 257.378 -0.198 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001266734943 827059712 /nfs/dbraw/zinc/05/97/12/827059712.db2.gz DCNLAQYSEPADRE-BETUJISGSA-N 2 0 296.415 -0.025 20 0 CBADRP C[C@@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266808588 827070874 /nfs/dbraw/zinc/07/08/74/827070874.db2.gz KQKCPVQSODUPBW-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001266836769 827074983 /nfs/dbraw/zinc/07/49/83/827074983.db2.gz XLPCKPPUAHQWAD-MNOVXSKESA-N 2 0 298.387 -0.820 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCCO ZINC001266939417 827093342 /nfs/dbraw/zinc/09/33/42/827093342.db2.gz HOPYHQHYRXOFQX-DGCLKSJQSA-N 2 0 269.389 -0.195 20 0 CBADRP CNC(=O)C[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001266979252 827101983 /nfs/dbraw/zinc/10/19/83/827101983.db2.gz AWTBBKWHKSBXSI-LLVKDONJSA-N 2 0 270.377 -0.878 20 0 CBADRP CC[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NC1CC1)[NH+](C)C ZINC001266987952 827104115 /nfs/dbraw/zinc/10/41/15/827104115.db2.gz BAZHXFJDPRMRGF-LBPRGKRZSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCOCCO)C1)[NH+](C)C ZINC001267023349 827108339 /nfs/dbraw/zinc/10/83/39/827108339.db2.gz WVAJZDQJMGRSTP-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267072239 827112558 /nfs/dbraw/zinc/11/25/58/827112558.db2.gz WLTZFZWZOWTUJP-LLVKDONJSA-N 2 0 270.377 -0.878 20 0 CBADRP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC(N)=O)[NH+](C)C ZINC001267136448 827116715 /nfs/dbraw/zinc/11/67/15/827116715.db2.gz WKOSHEYFKNQZBG-NXEZZACHSA-N 2 0 258.366 -0.704 20 0 CBADRP CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC(N)=O)[NH+](C)C ZINC001267136449 827117422 /nfs/dbraw/zinc/11/74/22/827117422.db2.gz WKOSHEYFKNQZBG-VHSXEESVSA-N 2 0 258.366 -0.704 20 0 CBADRP C[NH+](C)CCC(=O)NCC[N@H+](C)CCn1cccn1 ZINC001267215027 827130996 /nfs/dbraw/zinc/13/09/96/827130996.db2.gz GDDALSWSUXEFAU-UHFFFAOYSA-N 2 0 267.377 -0.117 20 0 CBADRP CC[C@@H](C(=O)NCC[N@H+](CCO)C1CC1)[NH+](C)C ZINC001267332870 827150295 /nfs/dbraw/zinc/15/02/95/827150295.db2.gz LVDRROOTNKSZOC-LBPRGKRZSA-N 2 0 257.378 -0.101 20 0 CBADRP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001267354877 827156183 /nfs/dbraw/zinc/15/61/83/827156183.db2.gz AUPBPBQMJPMRQM-QWRGUYRKSA-N 2 0 268.361 -0.983 20 0 CBADRP COC[C@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267373759 827162201 /nfs/dbraw/zinc/16/22/01/827162201.db2.gz LSCQCTFABYDSKT-ZIAGYGMSSA-N 2 0 299.415 -0.617 20 0 CBADRP CN(C)C(=O)C[NH2+]CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001267384104 827163455 /nfs/dbraw/zinc/16/34/55/827163455.db2.gz MDCPACGIGVMBBT-UHFFFAOYSA-N 2 0 284.404 -0.393 20 0 CBADRP CN(CC[NH2+]C[C@@H]1CCc2ncnn21)C(=O)CC[NH+](C)C ZINC001267424460 827169948 /nfs/dbraw/zinc/16/99/48/827169948.db2.gz PTKMFPXHVLDOOG-LBPRGKRZSA-N 2 0 294.403 -0.235 20 0 CBADRP Cc1nccn1CC(=O)N(C)CC[NH2+]CC(=O)NC(C)C ZINC001267468660 827175099 /nfs/dbraw/zinc/17/50/99/827175099.db2.gz AQRONHOFLBYKPO-UHFFFAOYSA-N 2 0 295.387 -0.236 20 0 CBADRP CN(CC[NH2+]Cc1cncn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267469584 827175160 /nfs/dbraw/zinc/17/51/60/827175160.db2.gz NBRSDVFHHRCDGJ-LBPRGKRZSA-N 2 0 279.388 -0.080 20 0 CBADRP CN(CC[NH2+]Cc1cncn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267469583 827175404 /nfs/dbraw/zinc/17/54/04/827175404.db2.gz NBRSDVFHHRCDGJ-GFCCVEGCSA-N 2 0 279.388 -0.080 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC2C[NH+](CCO)C2)C1 ZINC001267695561 827201842 /nfs/dbraw/zinc/20/18/42/827201842.db2.gz ACEOQBHECIAROY-LLVKDONJSA-N 2 0 255.362 -0.632 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCCO)C1 ZINC001267732803 827209949 /nfs/dbraw/zinc/20/99/49/827209949.db2.gz OYBQWCVNLUJYOD-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]CC(N)=O)C2)C1 ZINC001267899711 827231585 /nfs/dbraw/zinc/23/15/85/827231585.db2.gz OFYCFEJXZLZOTJ-QWHCGFSZSA-N 2 0 296.415 -0.358 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CCOCCO)C2)C1 ZINC001268151206 827258672 /nfs/dbraw/zinc/25/86/72/827258672.db2.gz PFNZFYGDFORMMB-UONOGXRCSA-N 2 0 299.415 -0.472 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CCOCCO)C2)C1 ZINC001268235768 827264995 /nfs/dbraw/zinc/26/49/95/827264995.db2.gz PFNZFYGDFORMMB-KGLIPLIRSA-N 2 0 299.415 -0.472 20 0 CBADRP CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268308311 827291162 /nfs/dbraw/zinc/29/11/62/827291162.db2.gz NYPRAJCDNRLSTL-QWHCGFSZSA-N 2 0 269.389 -0.195 20 0 CBADRP COCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268320905 827298485 /nfs/dbraw/zinc/29/84/85/827298485.db2.gz QAWKRGQMYRERJL-RWMBFGLXSA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@@H](CC[NH2+]Cc1ncnn1C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268390242 827320761 /nfs/dbraw/zinc/32/07/61/827320761.db2.gz AHMOQIJMDXHAJG-NWDGAFQWSA-N 2 0 294.403 -0.106 20 0 CBADRP C[NH+](C)CCC(=O)NC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001268446590 827332155 /nfs/dbraw/zinc/33/21/55/827332155.db2.gz ZIBZVXUNCNHSMM-NSHDSACASA-N 2 0 255.362 -0.225 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001268559880 827365024 /nfs/dbraw/zinc/36/50/24/827365024.db2.gz IMAMSQWGGACUCU-DHCBQETCSA-N 2 0 296.415 -0.146 20 0 CBADRP C[C@@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001268572570 827367908 /nfs/dbraw/zinc/36/79/08/827367908.db2.gz BPUOUVINAMTKPB-NTQVKLLNSA-N 2 0 296.415 -0.181 20 0 CBADRP C[C@@H]([NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001268584262 827370611 /nfs/dbraw/zinc/37/06/11/827370611.db2.gz XXVPNBFHXFDAEZ-BJBSMMKKSA-N 2 0 296.415 -0.148 20 0 CBADRP CC[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001268579981 827370794 /nfs/dbraw/zinc/37/07/94/827370794.db2.gz UTFGTWXRSJWXBH-IBPBTGAJSA-N 2 0 296.415 -0.003 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]CCO)C1 ZINC001268590904 827373945 /nfs/dbraw/zinc/37/39/45/827373945.db2.gz KRKLVGFRYYTPHU-QAVQXKDTSA-N 2 0 255.362 -0.418 20 0 CBADRP CC[C@H](C(=O)NC/C=C/C[NH2+]CC(N)=O)[NH+](C)C ZINC001268616452 827379855 /nfs/dbraw/zinc/37/98/55/827379855.db2.gz IRFFXUIGSKAEQQ-BRAIEQGRSA-N 2 0 256.350 -0.926 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)C[NH2+]CCO ZINC001268715995 827409100 /nfs/dbraw/zinc/40/91/00/827409100.db2.gz XJDTWKNSLWKHKI-NEPJUHHUSA-N 2 0 273.377 -0.959 20 0 CBADRP CN(CCC[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268784013 827420990 /nfs/dbraw/zinc/42/09/90/827420990.db2.gz PCBSDOOBMIXKTK-ZDUSSCGKSA-N 2 0 294.403 -0.153 20 0 CBADRP CNC(=O)C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001268799213 827423449 /nfs/dbraw/zinc/42/34/49/827423449.db2.gz VFVDAZGINDTNFT-ZDUSSCGKSA-N 2 0 286.420 -0.243 20 0 CBADRP CN(CCC[NH2+]Cc1cnnn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268945662 827443322 /nfs/dbraw/zinc/44/33/22/827443322.db2.gz GRNAZDZXNXAXFH-GFCCVEGCSA-N 2 0 294.403 -0.295 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CCO)C2)CC1 ZINC001269056798 827457877 /nfs/dbraw/zinc/45/78/77/827457877.db2.gz LTMHDKJBMPAEDL-NSHDSACASA-N 2 0 255.362 -0.489 20 0 CBADRP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCO ZINC001269472127 827512876 /nfs/dbraw/zinc/51/28/76/827512876.db2.gz VSULKBZFCOMGKC-NEPJUHHUSA-N 2 0 257.378 -0.195 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]CCO)[NH+](C)C ZINC001270568959 827579196 /nfs/dbraw/zinc/57/91/96/827579196.db2.gz QGEYECCNQMPFMF-NEPJUHHUSA-N 2 0 259.394 -0.093 20 0 CBADRP C[C@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+](CCO)C1 ZINC001270660157 827587458 /nfs/dbraw/zinc/58/74/58/827587458.db2.gz YRERWQHCUPZRKW-ZDUSSCGKSA-N 2 0 255.362 -0.345 20 0 CBADRP C[C@@H](C(=O)N1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2)[NH+](C)C ZINC001271149288 827630296 /nfs/dbraw/zinc/63/02/96/827630296.db2.gz ZYLXLDKTFFDYNA-MELADBBJSA-N 2 0 298.431 -0.590 20 0 CBADRP CCOCC[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001271185401 827675221 /nfs/dbraw/zinc/67/52/21/827675221.db2.gz YDVXRSJLWKUSOF-AWEZNQCLSA-N 2 0 287.404 -0.472 20 0 CBADRP CC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001271192396 827676407 /nfs/dbraw/zinc/67/64/07/827676407.db2.gz LUZZNEFIKSFKLO-JSGCOSHPSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001271192395 827676576 /nfs/dbraw/zinc/67/65/76/827676576.db2.gz LUZZNEFIKSFKLO-GXTWGEPZSA-N 2 0 269.389 -0.099 20 0 CBADRP CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001271221653 827678382 /nfs/dbraw/zinc/67/83/82/827678382.db2.gz YVTHBCQHAHQEJC-OCCSQVGLSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCOC1CCC1 ZINC001272381902 827788563 /nfs/dbraw/zinc/78/85/63/827788563.db2.gz XZVOEIJTOQZWEJ-GXTWGEPZSA-N 2 0 299.415 -0.284 20 0 CBADRP CCOCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001272380474 827788591 /nfs/dbraw/zinc/78/85/91/827788591.db2.gz NCGXCSGVGQIPGS-VXGBXAGGSA-N 2 0 273.377 -0.816 20 0 CBADRP COCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001272453515 827800178 /nfs/dbraw/zinc/80/01/78/827800178.db2.gz LFQAAAKXYCZZLY-NWDGAFQWSA-N 2 0 273.377 -0.816 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]C/C=C\Cl ZINC001272496194 827806794 /nfs/dbraw/zinc/80/67/94/827806794.db2.gz MRTDHLSRIKQGEE-HUPZIKASSA-N 2 0 275.780 -0.100 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]CC1CC1 ZINC001272583518 827826306 /nfs/dbraw/zinc/82/63/06/827826306.db2.gz IOUHQGCRSHRXQM-GFCCVEGCSA-N 2 0 255.362 -0.441 20 0 CBADRP C[C@@H](CC[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001272688017 827833456 /nfs/dbraw/zinc/83/34/56/827833456.db2.gz FDAKPBGFCFDFIQ-WCQYABFASA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@H](CC[NH2+]CCO)NC(=O)C1CC[NH+](C)CC1 ZINC001272995376 827855837 /nfs/dbraw/zinc/85/58/37/827855837.db2.gz YEZWKXUFABJXEG-LLVKDONJSA-N 2 0 257.378 -0.195 20 0 CBADRP CN1C[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273030660 827857423 /nfs/dbraw/zinc/85/74/23/827857423.db2.gz NGUGNGDCSHRTRS-CQSZACIVSA-N 2 0 267.373 -0.081 20 0 CBADRP C[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC001273070125 827860539 /nfs/dbraw/zinc/86/05/39/827860539.db2.gz SEOBSRUOKOEECE-GFCCVEGCSA-N 2 0 267.373 -0.393 20 0 CBADRP CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001273122992 827867815 /nfs/dbraw/zinc/86/78/15/827867815.db2.gz LVDWGSIJGJGUFS-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001273276704 827882389 /nfs/dbraw/zinc/88/23/89/827882389.db2.gz LIYSITAIPUOCCR-CHWSQXEVSA-N 2 0 285.388 -0.720 20 0 CBADRP CCOCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001273300622 827887968 /nfs/dbraw/zinc/88/79/68/827887968.db2.gz MLHLLAUGMASPTP-UONOGXRCSA-N 2 0 299.415 -0.066 20 0 CBADRP C[NH+](C)CCCCC(=O)N1CCO[C@@H](C[NH2+]CCO)C1 ZINC001273341804 827891146 /nfs/dbraw/zinc/89/11/46/827891146.db2.gz FFTSFHQWCNOEIZ-ZDUSSCGKSA-N 2 0 287.404 -0.472 20 0 CBADRP CN(C)C(=O)CN1C[C@@H]2CCN(C(=O)CN3CCC3)[C@@H]2C1 ZINC001273363811 827893741 /nfs/dbraw/zinc/89/37/41/827893741.db2.gz PRNZUARSPMVZAF-QWHCGFSZSA-N 2 0 294.399 -0.687 20 0 CBADRP C[N@@H+]1CCN(C(=O)CN2CCC2)C[C@]2(CCCC(=O)N2)C1 ZINC001273364007 827895133 /nfs/dbraw/zinc/89/51/33/827895133.db2.gz UFJNLFAOQFABPB-HNNXBMFYSA-N 2 0 294.399 -0.495 20 0 CBADRP CCN(CC[NH2+]CCO)C(=O)C[N@H+](C)C1CCC1 ZINC001273419789 827900496 /nfs/dbraw/zinc/90/04/96/827900496.db2.gz GVUFNOUNUCBCOE-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP COCC[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273506027 827905353 /nfs/dbraw/zinc/90/53/53/827905353.db2.gz KUPPLDWGEJPDML-OAHLLOKOSA-N 2 0 299.415 -0.255 20 0 CBADRP CC(=O)NCC[N@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273999482 827951412 /nfs/dbraw/zinc/95/14/12/827951412.db2.gz LHQGMNFVUJYUFD-HNNXBMFYSA-N 2 0 296.415 -0.392 20 0 CBADRP CNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001274034328 827953935 /nfs/dbraw/zinc/95/39/35/827953935.db2.gz DKDGZGPWMYTDPQ-ZRMMWKCHSA-N 2 0 294.399 -0.664 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]CCO)CCOCC1 ZINC001274020615 827953962 /nfs/dbraw/zinc/95/39/62/827953962.db2.gz DKQMFHJNBAFUGH-UHFFFAOYSA-N 2 0 287.404 -0.426 20 0 CBADRP CNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001274034326 827954765 /nfs/dbraw/zinc/95/47/65/827954765.db2.gz DKDGZGPWMYTDPQ-XQJDBVBESA-N 2 0 294.399 -0.664 20 0 CBADRP C[C@H](O)C[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274045835 827955791 /nfs/dbraw/zinc/95/57/91/827955791.db2.gz ABUICSFZDHGUBH-WFASDCNBSA-N 2 0 297.399 -0.230 20 0 CBADRP CC(C)[C@H](C(=O)NC/C=C/C[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001274339527 827984115 /nfs/dbraw/zinc/98/41/15/827984115.db2.gz OCIFMZYHGLYZFL-JQSFKPKSSA-N 2 0 296.415 -0.277 20 0 CBADRP CC[C@H](C(=O)NC/C=C/C[NH2+]C[C@H](C)O)[NH+](C)C ZINC001274512527 827996482 /nfs/dbraw/zinc/99/64/82/827996482.db2.gz ZUTCERPDOVZASN-FNSAGKMKSA-N 2 0 257.378 -0.031 20 0 CBADRP CC[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001274512436 827996763 /nfs/dbraw/zinc/99/67/63/827996763.db2.gz XXIKHELPLQFEGO-CFHLNLSMSA-N 2 0 296.415 -0.179 20 0 CBADRP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+][C@H]1CCCNC1=O ZINC001274579505 828007600 /nfs/dbraw/zinc/00/76/00/828007600.db2.gz VKNAWEUADNUIJQ-FYDYADQUSA-N 2 0 294.399 -0.377 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CN1CC[C@@]2(C1)CN(C)C(=O)CO2 ZINC001274655472 828015809 /nfs/dbraw/zinc/01/58/09/828015809.db2.gz KXVKGLWYKRJMFP-HIFRSBDPSA-N 2 0 299.415 -0.378 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274643342 828017310 /nfs/dbraw/zinc/01/73/10/828017310.db2.gz OIKWDQQBRJAEJO-ZFWWWQNUSA-N 2 0 299.415 -0.520 20 0 CBADRP C[C@H](C[NH2+]CCn1cccn1)NC(=O)CC[NH+](C)C ZINC001274906551 828040917 /nfs/dbraw/zinc/04/09/17/828040917.db2.gz FAIYXPYVAGTPLA-GFCCVEGCSA-N 2 0 267.377 -0.071 20 0 CBADRP COCCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001274939835 828044555 /nfs/dbraw/zinc/04/45/55/828044555.db2.gz QOCXTRKHDPXDBZ-OKILXGFUSA-N 2 0 271.405 -0.031 20 0 CBADRP COCC[NH2+]C[C@@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001275022067 828049349 /nfs/dbraw/zinc/04/93/49/828049349.db2.gz BPUJJIJSGAJLIF-CHWSQXEVSA-N 2 0 287.404 -0.305 20 0 CBADRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](C[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001275188189 828065246 /nfs/dbraw/zinc/06/52/46/828065246.db2.gz NDRNAUXDEXMHBM-BFHYXJOUSA-N 2 0 280.416 -0.167 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001275200142 828067318 /nfs/dbraw/zinc/06/73/18/828067318.db2.gz ZIWKVQXYYHNPAC-STQMWFEESA-N 2 0 268.405 -0.215 20 0 CBADRP CN(CCC[NH2+]Cc1cnnn1C)C(=O)CC[NH+](C)C ZINC001276209217 828137924 /nfs/dbraw/zinc/13/79/24/828137924.db2.gz QVUYHKXFPULGFP-UHFFFAOYSA-N 2 0 282.392 -0.295 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CCO)C1)[NH+](C)C ZINC001276454222 828146699 /nfs/dbraw/zinc/14/66/99/828146699.db2.gz UEYUVQSLCAYSMD-JQWIXIFHSA-N 2 0 257.378 -0.245 20 0 CBADRP C[NH+](C)CCN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001276463183 828147025 /nfs/dbraw/zinc/14/70/25/828147025.db2.gz DENHLCFHJOIAKP-CHWSQXEVSA-N 2 0 280.416 -0.310 20 0 CBADRP COC(C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12)OC ZINC001276641807 828154254 /nfs/dbraw/zinc/15/42/54/828154254.db2.gz BSHMPSPEKQZMGW-RYUDHWBXSA-N 2 0 297.399 -0.253 20 0 CBADRP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2CC1CC[NH2+]CC1 ZINC001276713705 828156423 /nfs/dbraw/zinc/15/64/23/828156423.db2.gz KLTMNHYVSAZUBJ-IYBDPMFKSA-N 2 0 296.459 -0.067 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCOCCO)C1 ZINC001276946911 828167629 /nfs/dbraw/zinc/16/76/29/828167629.db2.gz OSUIUNQBUJMRBU-MGPQQGTHSA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001277141941 828177035 /nfs/dbraw/zinc/17/70/35/828177035.db2.gz ULSGHZVMHRRXKN-VHSXEESVSA-N 2 0 268.361 -0.807 20 0 CBADRP CCOCC[NH2+]C1(CNC(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001277252591 828180920 /nfs/dbraw/zinc/18/09/20/828180920.db2.gz LQSJHPXQAVQGNW-ZDUSSCGKSA-N 2 0 299.415 -0.018 20 0 CBADRP C[C@@H](CCC[NH2+]CC(N)=O)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001277299118 828181798 /nfs/dbraw/zinc/18/17/98/828181798.db2.gz MJNACKCGTNLZPG-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP Cn1c[nH+]cc1N1[C@H]2COC[C@@H]1CN(CC[NH+](C)C)C2 ZINC001277769654 828207719 /nfs/dbraw/zinc/20/77/19/828207719.db2.gz NJDCLORYDDVCKD-BETUJISGSA-N 2 0 279.388 -0.129 20 0 CBADRP C[C@H]1Cc2nnc(C(N)=O)n2CC[N@@H+]1CC1CC[NH2+]CC1 ZINC001277822198 828212301 /nfs/dbraw/zinc/21/23/01/828212301.db2.gz RTCQZZBJELCRRB-JTQLQIEISA-N 2 0 292.387 -0.377 20 0 CBADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](CC(C)(C)CO)C[C@H]21 ZINC001277968557 828224408 /nfs/dbraw/zinc/22/44/08/828224408.db2.gz VXYLTQHHFQEOHF-KGLIPLIRSA-N 2 0 285.432 -0.049 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CCC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001277980639 828225526 /nfs/dbraw/zinc/22/55/26/828225526.db2.gz ARTDBFSZVDZPRM-UHFFFAOYSA-N 2 0 282.388 -0.652 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCCO)C1 ZINC001277997672 828229718 /nfs/dbraw/zinc/22/97/18/828229718.db2.gz QAZYITQWXNUHMV-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+](C)CCCN1C[C@@H]2CN(CC[NH+](C)C)C[C@H](C1)O2 ZINC001278058021 828240098 /nfs/dbraw/zinc/24/00/98/828240098.db2.gz NLZVTGYOXPJJGL-GASCZTMLSA-N 2 0 284.448 -0.115 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]CC1CC1 ZINC001278196553 828257989 /nfs/dbraw/zinc/25/79/89/828257989.db2.gz ZMTZUZQPOVHWNA-GFCCVEGCSA-N 2 0 255.362 -0.441 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CCCC[NH+](C)C ZINC001278417778 828269351 /nfs/dbraw/zinc/26/93/51/828269351.db2.gz XNGSGVWWOBGALG-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001278823346 828293230 /nfs/dbraw/zinc/29/32/30/828293230.db2.gz YMJOEWIJJLWECC-DGCLKSJQSA-N 2 0 255.362 -0.489 20 0 CBADRP CC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001278828932 828293434 /nfs/dbraw/zinc/29/34/34/828293434.db2.gz RJMNJCMBBIQSIU-CYBMUJFWSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[N@H+](CC(=O)N1CC[C@@](O)(C[NH+](C)C)C1)C1CC1 ZINC001347430408 890462850 /nfs/dbraw/zinc/46/28/50/890462850.db2.gz XMGHYTPCHJEPQV-CQSZACIVSA-N 2 0 269.389 -0.004 20 0 CBADRP COCC[NH2+]CC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC001349872565 890910883 /nfs/dbraw/zinc/91/08/83/890910883.db2.gz AZNGBIQVVZUHQI-UHFFFAOYSA-N 2 0 284.385 -0.278 20 0 CBADRP C[C@@]1(C(=O)NCc2cc(N)cc[nH+]2)C[NH2+]CCO1 ZINC001349908144 890912033 /nfs/dbraw/zinc/91/20/33/890912033.db2.gz IBTPLNOYCMVNDQ-LBPRGKRZSA-N 2 0 250.302 -0.342 20 0 CBADRP CC[C@H]([NH3+])C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC001350404748 890979597 /nfs/dbraw/zinc/97/95/97/890979597.db2.gz DBAMNHUMIOMSOC-LBPRGKRZSA-N 2 0 284.404 -0.170 20 0 CBADRP CN1CCN(C(=O)c2ccnc(C[NH3+])c2)[C@@H](C[NH3+])C1 ZINC001326088854 884902680 /nfs/dbraw/zinc/90/26/80/884902680.db2.gz YUNGZIBIHXJQQQ-LBPRGKRZSA-N 2 0 263.345 -0.745 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N(CCO)CC[NH2+]CCF ZINC001326046267 884886089 /nfs/dbraw/zinc/88/60/89/884886089.db2.gz VKUTVIJEGYFPOZ-GFCCVEGCSA-N 2 0 275.368 -0.149 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N[C@@H]2CCC[NH2+]C2)nn1 ZINC001326069306 884897368 /nfs/dbraw/zinc/89/73/68/884897368.db2.gz LGVUONUVGMERQS-SNVBAGLBSA-N 2 0 266.349 -0.501 20 0 CBADRP Cn1cc(C[N@H+](C)C2CC[NH2+]CC2)c(=O)n(C)c1=O ZINC001326187900 884939628 /nfs/dbraw/zinc/93/96/28/884939628.db2.gz MWMLCSVCIPKQNC-UHFFFAOYSA-N 2 0 266.345 -0.732 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001326283994 884973187 /nfs/dbraw/zinc/97/31/87/884973187.db2.gz OTEATMXLXZGQMK-NSHDSACASA-N 2 0 269.345 -0.380 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC001327918299 885529157 /nfs/dbraw/zinc/52/91/57/885529157.db2.gz OKNIQYFEZKVJOH-VHSXEESVSA-N 2 0 263.345 -0.080 20 0 CBADRP C[C@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC001329480962 886086167 /nfs/dbraw/zinc/08/61/67/886086167.db2.gz KTUZIIWFZGJFTK-QJPTWQEYSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)N1CC[NH2+]CC1 ZINC001329497861 886096707 /nfs/dbraw/zinc/09/67/07/886096707.db2.gz AAEHZBAUTDLCJD-NWDGAFQWSA-N 2 0 254.378 -0.557 20 0 CBADRP Cn1cncc1CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001330832677 886587444 /nfs/dbraw/zinc/58/74/44/886587444.db2.gz RXXRGXMTNQJUJA-AWEZNQCLSA-N 2 0 263.389 -0.058 20 0 CBADRP C[N@H+](CCO)CCOCCNC(=O)[C@H]1CCC[NH+]1C ZINC001331101981 886674452 /nfs/dbraw/zinc/67/44/52/886674452.db2.gz COXZCRLJVOFZRU-GFCCVEGCSA-N 2 0 273.377 -0.863 20 0 CBADRP CCN1CC[NH+](CCCCNC(=O)[C@H](C[NH3+])OC)CC1 ZINC001331321842 886777206 /nfs/dbraw/zinc/77/72/06/886777206.db2.gz BQFCBARZAMTOMC-ZDUSSCGKSA-N 2 0 286.420 -0.506 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@H](C[NH3+])OC)CC1 ZINC001331321844 886776409 /nfs/dbraw/zinc/77/64/09/886776409.db2.gz BQUPCRFVGAYEKA-LBPRGKRZSA-N 2 0 273.377 -0.423 20 0 CBADRP C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCO ZINC001331617134 886867771 /nfs/dbraw/zinc/86/77/71/886867771.db2.gz SGGSMCCKENQGPR-NWDGAFQWSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCC1C[NH2+]C1 ZINC001331708053 886924278 /nfs/dbraw/zinc/92/42/78/886924278.db2.gz QNYGSVFWSVLXPF-LBPRGKRZSA-N 2 0 268.405 -0.262 20 0 CBADRP CCN(C(=O)NCCCN1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001331877188 887024586 /nfs/dbraw/zinc/02/45/86/887024586.db2.gz WLXVOHYEZHNLHO-ZDUSSCGKSA-N 2 0 283.420 -0.325 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001331958486 887059844 /nfs/dbraw/zinc/05/98/44/887059844.db2.gz RRTPMIFTNOLKEQ-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001332271777 887177822 /nfs/dbraw/zinc/17/78/22/887177822.db2.gz YNHZVTZTKNQJKW-DCAQKATOSA-N 2 0 270.377 -0.704 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)C1 ZINC001332333501 887209800 /nfs/dbraw/zinc/20/98/00/887209800.db2.gz CBUFNOLOXZGZDF-LVEVGFFFSA-N 2 0 253.346 -0.563 20 0 CBADRP Cn1cncc1CN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC001332362193 887223573 /nfs/dbraw/zinc/22/35/73/887223573.db2.gz VKAMASYEMCRRJZ-SECBINFHSA-N 2 0 251.290 -0.598 20 0 CBADRP [NH3+]C1(c2noc([C@]34C[NH2+]C[C@H]3COC4)n2)CCC1 ZINC001332538594 887346858 /nfs/dbraw/zinc/34/68/58/887346858.db2.gz PORMHEAMAPSWBR-KWQFWETISA-N 2 0 250.302 -0.105 20 0 CBADRP O=S1(=O)C[C@@H]2[NH2+]CCN(CCC[NH2+]C3CC3)[C@@H]2C1 ZINC001332816497 887437181 /nfs/dbraw/zinc/43/71/81/887437181.db2.gz UZXIQXRVZKJEJF-NWDGAFQWSA-N 2 0 273.402 -0.801 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001333177613 887551754 /nfs/dbraw/zinc/55/17/54/887551754.db2.gz FQTFDCWKQXRRLO-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC001333529126 887677310 /nfs/dbraw/zinc/67/73/10/887677310.db2.gz LJYSMXWDQLAHIX-XUXIUFHCSA-N 2 0 269.389 -0.366 20 0 CBADRP Cn1nnnc1C1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC001333529701 887677327 /nfs/dbraw/zinc/67/73/27/887677327.db2.gz QCWOWOYGFFFJJG-DCAQKATOSA-N 2 0 266.349 -0.760 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001333627016 887723960 /nfs/dbraw/zinc/72/39/60/887723960.db2.gz VDMOKWZGEJIAQW-SDDRHHMPSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])[N@H+](C)C1CC1 ZINC001333626598 887724006 /nfs/dbraw/zinc/72/40/06/887724006.db2.gz SLZYBTJMQHGCGD-VHSXEESVSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@@]1(NC(=O)c2cn(CCCC[NH3+])nn2)CC[NH2+]C1 ZINC001333654717 887733492 /nfs/dbraw/zinc/73/34/92/887733492.db2.gz KYQUYLCWFDLMPG-GFCCVEGCSA-N 2 0 266.349 -0.501 20 0 CBADRP CC[C@H]([NH3+])C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001333657873 887736565 /nfs/dbraw/zinc/73/65/65/887736565.db2.gz XDMZZJAZRUDNEN-JTQLQIEISA-N 2 0 264.333 -0.438 20 0 CBADRP C[NH+]1CCN(C2CN(C(=O)Cn3ccnc3)C2)CC1 ZINC001334935321 888365299 /nfs/dbraw/zinc/36/52/99/888365299.db2.gz MHTWWLSQMVRQFG-UHFFFAOYSA-N 2 0 263.345 -0.659 20 0 CBADRP CN1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1=O ZINC001335449217 888533960 /nfs/dbraw/zinc/53/39/60/888533960.db2.gz SEYLQSCZRRIRCZ-NWDGAFQWSA-N 2 0 255.362 -0.347 20 0 CBADRP CN1CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1=O ZINC001335449216 888536066 /nfs/dbraw/zinc/53/60/66/888536066.db2.gz SEYLQSCZRRIRCZ-NEPJUHHUSA-N 2 0 255.362 -0.347 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)N1CC[NH2+]C[C@H]1CCOC ZINC001335595649 888576051 /nfs/dbraw/zinc/57/60/51/888576051.db2.gz KKGNOOSKZCGHNB-WDEREUQCSA-N 2 0 258.366 -0.256 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC001335591428 888576286 /nfs/dbraw/zinc/57/62/86/888576286.db2.gz PFLQXTDCRJZVGC-HBNTYKKESA-N 2 0 256.350 -0.599 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH3+])C2)C1(F)F ZINC001336731322 888861131 /nfs/dbraw/zinc/86/11/31/888861131.db2.gz DRIBINOPUBAROD-DJLDLDEBSA-N 2 0 263.288 -0.597 20 0 CBADRP CCN(CC[NH3+])C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001336732763 888857956 /nfs/dbraw/zinc/85/79/56/888857956.db2.gz SNZHWFSZYSNTEX-UHFFFAOYSA-N 2 0 266.349 -0.377 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(O)CCC2)CC1 ZINC001336762825 888871417 /nfs/dbraw/zinc/87/14/17/888871417.db2.gz IWMQJFVJPDEBLO-GFCCVEGCSA-N 2 0 257.378 -0.901 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCC2(CO)CCC2)CC1 ZINC001336835096 888894004 /nfs/dbraw/zinc/89/40/04/888894004.db2.gz ZWIOOJOMPFCEFY-CQSZACIVSA-N 2 0 285.432 -0.263 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001336906160 888916991 /nfs/dbraw/zinc/91/69/91/888916991.db2.gz DIYAJMZNBZTXJE-ZDUSSCGKSA-N 2 0 283.420 -0.325 20 0 CBADRP C[C@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[C@@H]1C[NH3+] ZINC001336901743 888912511 /nfs/dbraw/zinc/91/25/11/888912511.db2.gz YVONJUMAQJVWAW-RNWYCLNJSA-N 2 0 252.362 -0.170 20 0 CBADRP CCN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC001337095836 888961494 /nfs/dbraw/zinc/96/14/94/888961494.db2.gz VELAGFDDYVCEAI-GHMZBOCLSA-N 2 0 268.361 -0.935 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001337515513 889027601 /nfs/dbraw/zinc/02/76/01/889027601.db2.gz QYADVYRGJIUGFW-BETUJISGSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cnnn1C ZINC001339999093 889362337 /nfs/dbraw/zinc/36/23/37/889362337.db2.gz SBWWJEVDQDGPBI-JTQLQIEISA-N 2 0 253.350 -0.078 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC001340266267 889416371 /nfs/dbraw/zinc/41/63/71/889416371.db2.gz MJSFYSPTOJZQNW-MDZLAQPJSA-N 2 0 257.378 -0.291 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001340478970 889439307 /nfs/dbraw/zinc/43/93/07/889439307.db2.gz VYJSWKQXVJYXFB-QJPTWQEYSA-N 2 0 254.378 -0.654 20 0 CBADRP C[N@H+](CCc1ccccc1)CC(=O)NC[C@H](O)C[NH3+] ZINC001340754004 889479836 /nfs/dbraw/zinc/47/98/36/889479836.db2.gz JATUARRYAZFUHN-CYBMUJFWSA-N 2 0 265.357 -0.403 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340762379 889482543 /nfs/dbraw/zinc/48/25/43/889482543.db2.gz FLKVMEVOBPDQIQ-ZJUUUORDSA-N 2 0 266.345 -0.167 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)C1 ZINC001340787576 889486553 /nfs/dbraw/zinc/48/65/53/889486553.db2.gz NAUBOFBMUDUIEC-GIPNMCIBSA-N 2 0 266.345 -0.262 20 0 CBADRP O=C([C@@H]1CCC[NH2+]CC1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001340868810 889502538 /nfs/dbraw/zinc/50/25/38/889502538.db2.gz VMYOYJQBOAPWIY-OLZOCXBDSA-N 2 0 269.389 -0.051 20 0 CBADRP [NH3+]CCNCC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001340824538 889493193 /nfs/dbraw/zinc/49/31/93/889493193.db2.gz PVVCIZQALUHTKK-ZDUSSCGKSA-N 2 0 262.357 -0.635 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001340935682 889516759 /nfs/dbraw/zinc/51/67/59/889516759.db2.gz HTCPJBFFDOVJRY-BXKDBHETSA-N 2 0 254.334 -0.262 20 0 CBADRP C[C@@]1(CNC(=O)C2(C[NH3+])CC(O)C2)CCC[NH2+]C1 ZINC001340905665 889509447 /nfs/dbraw/zinc/50/94/47/889509447.db2.gz IBIIZNWKLJQRKX-YXMLORGKSA-N 2 0 255.362 -0.408 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCC(CO)CC2)CC[NH2+]1 ZINC001340922034 889511970 /nfs/dbraw/zinc/51/19/70/889511970.db2.gz KAZFHCZLXBHQBD-AAEUAGOBSA-N 2 0 269.389 -0.053 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)c1ccn(CCC[NH3+])n1 ZINC001340921943 889512165 /nfs/dbraw/zinc/51/21/65/889512165.db2.gz ICESGADNYYEOFX-SNVBAGLBSA-N 2 0 253.350 -0.040 20 0 CBADRP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CC[NH2+]C[C@@H]1CO ZINC001340953928 889522421 /nfs/dbraw/zinc/52/24/21/889522421.db2.gz PHQUZPTTZXIYCT-XQQFMLRXSA-N 2 0 267.373 -0.204 20 0 CBADRP COCC1(C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC[NH2+]CC1 ZINC001341010240 889532000 /nfs/dbraw/zinc/53/20/00/889532000.db2.gz HORABPJJQJMKCU-NEPJUHHUSA-N 2 0 269.389 -0.026 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)CCCO1 ZINC001341101404 889544090 /nfs/dbraw/zinc/54/40/90/889544090.db2.gz BVZHQUUVOTUMPM-GVXVVHGQSA-N 2 0 253.346 -0.438 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)c1cn(CC[NH3+])nn1 ZINC001341145668 889550075 /nfs/dbraw/zinc/55/00/75/889550075.db2.gz QSLRKBYECSQANL-UTLUCORTSA-N 2 0 266.349 -0.552 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1NC(=O)CC12CC[NH2+]CC2 ZINC001341157189 889551907 /nfs/dbraw/zinc/55/19/07/889551907.db2.gz SPJHEPBINQPJRC-SECBINFHSA-N 2 0 254.334 -0.630 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)C[C@@H]1COCC[NH2+]1 ZINC001341029365 889537491 /nfs/dbraw/zinc/53/74/91/889537491.db2.gz PYDLGBJIQSVZCT-NNYUYHANSA-N 2 0 255.362 -0.038 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)C1 ZINC001341241145 889561402 /nfs/dbraw/zinc/56/14/02/889561402.db2.gz WZDBUARJRZPSJH-BSWNYTGASA-N 2 0 267.373 -0.146 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC[C@H]1C[NH3+] ZINC001341250950 889565086 /nfs/dbraw/zinc/56/50/86/889565086.db2.gz QDJRZFUSIJEZDH-XZUYRWCXSA-N 2 0 255.362 -0.457 20 0 CBADRP O=C(CC[NH2+]C1CC1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001341477586 889604112 /nfs/dbraw/zinc/60/41/12/889604112.db2.gz PWMRHNICRNVFOT-GFCCVEGCSA-N 2 0 255.362 -0.299 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC001341514153 889612673 /nfs/dbraw/zinc/61/26/73/889612673.db2.gz GQQCQXIUFBNHIY-OBJOEFQTSA-N 2 0 267.373 -0.177 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC001341500989 889609083 /nfs/dbraw/zinc/60/90/83/889609083.db2.gz GNYYXEPZSUUWNP-UHTWSYAYSA-N 2 0 269.389 -0.245 20 0 CBADRP C[C@]1(C(=O)N2C3CCC2(C[NH3+])CC3)C[C@H](O)C[NH2+]1 ZINC001341506820 889609504 /nfs/dbraw/zinc/60/95/04/889609504.db2.gz CVLQFCFIWUWMEH-CXFXUWLJSA-N 2 0 253.346 -0.418 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CC[NH2+]C[C@H]2CO)CC[N@@H+]1C ZINC001341581408 889625191 /nfs/dbraw/zinc/62/51/91/889625191.db2.gz QQFLBZPYUPBYKC-SDDRHHMPSA-N 2 0 255.362 -0.491 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC001341572198 889627003 /nfs/dbraw/zinc/62/70/03/889627003.db2.gz YJRLTYRZDDPSSW-WCQGTBRESA-N 2 0 257.378 -0.341 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001341571260 889622857 /nfs/dbraw/zinc/62/28/57/889622857.db2.gz OAOSOHCJFMUQFF-JSGCOSHPSA-N 2 0 269.389 -0.051 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCOCC1 ZINC001341665459 889645295 /nfs/dbraw/zinc/64/52/95/889645295.db2.gz MGQBFLNHWORXRZ-UTUOFQBUSA-N 2 0 267.373 -0.192 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC001341983097 889694144 /nfs/dbraw/zinc/69/41/44/889694144.db2.gz HLDONIRTBIAPPA-TUAOUCFPSA-N 2 0 255.362 -0.001 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001342184072 889726310 /nfs/dbraw/zinc/72/63/10/889726310.db2.gz RCXWEIBRZFNIRK-UHFFFAOYSA-N 2 0 269.389 -0.066 20 0 CBADRP O=C(N1CCOC2(C[NH2+]C2)C1)[C@]12C[C@H]1CCC[NH2+]2 ZINC001342188848 889729064 /nfs/dbraw/zinc/72/90/64/889729064.db2.gz JEFPQJLRFWQAKU-MFKMUULPSA-N 2 0 251.330 -0.671 20 0 CBADRP O=C(NCC1(O)C[NH2+]C1)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12 ZINC001342192143 889729361 /nfs/dbraw/zinc/72/93/61/889729361.db2.gz ZHOLFTRMXIMQFS-QJPTWQEYSA-N 2 0 267.373 -0.395 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001342251513 889737550 /nfs/dbraw/zinc/73/75/50/889737550.db2.gz SGWRVCQNYKJODN-JHJVBQTASA-N 2 0 268.405 -0.136 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC[C@H]1F ZINC001342265364 889740753 /nfs/dbraw/zinc/74/07/53/889740753.db2.gz MHOUJEMZSHBJPQ-CKYFFXLPSA-N 2 0 259.325 -0.611 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(N)=O ZINC001443914123 912302605 /nfs/dbraw/zinc/30/26/05/912302605.db2.gz HCRRQXQXBQOGFD-OUAUKWLOSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001342393071 889766531 /nfs/dbraw/zinc/76/65/31/889766531.db2.gz SGBJAHUIZMLJJE-WISYIIOYSA-N 2 0 252.362 -0.772 20 0 CBADRP CC[C@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@H]1CCNC1=O ZINC001443984227 912318740 /nfs/dbraw/zinc/31/87/40/912318740.db2.gz SCHVMTFPEIDVKX-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@H]1CCNC1=O ZINC001443984233 912319364 /nfs/dbraw/zinc/31/93/64/912319364.db2.gz SCHVMTFPEIDVKX-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC001342480502 889780763 /nfs/dbraw/zinc/78/07/63/889780763.db2.gz FBYBXOKVDHZZFJ-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP CC(C)(C[NH3+])CC(=O)NCCN1CCC([NH3+])CC1 ZINC001342548970 889792880 /nfs/dbraw/zinc/79/28/80/889792880.db2.gz MLPHUBAZTIZSRA-UHFFFAOYSA-N 2 0 256.394 -0.099 20 0 CBADRP CCO[C@@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])C[NH+](C)C ZINC001342666871 889812904 /nfs/dbraw/zinc/81/29/04/889812904.db2.gz SPUNVGPRFNSHQF-GARJFASQSA-N 2 0 259.350 -0.815 20 0 CBADRP [NH3+]C1CC2(C1)CC(NC(=O)C[C@@H]1C[NH2+]CCO1)C2 ZINC001342665076 889812918 /nfs/dbraw/zinc/81/29/18/889812918.db2.gz SYQJSKLKPVPBDM-XPOXDWOYSA-N 2 0 253.346 -0.249 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)CC[C@H]1C[NH3+] ZINC001342737748 889823761 /nfs/dbraw/zinc/82/37/61/889823761.db2.gz DQMSZDOEKYGDAI-GRYCIOLGSA-N 2 0 256.394 -0.291 20 0 CBADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@H]2[NH2+]CC23CCOCC3)C1 ZINC001343099836 889869302 /nfs/dbraw/zinc/86/93/02/889869302.db2.gz QCQJPFSCVFYHPR-YPMHNXCESA-N 2 0 267.373 -0.048 20 0 CBADRP C[C@H]1COCCN1CCNC(=O)CC1CC([NH3+])C1 ZINC001343422177 889907461 /nfs/dbraw/zinc/90/74/61/889907461.db2.gz XGNYMDHQOJMVND-UNXYVOJBSA-N 2 0 255.362 -0.049 20 0 CBADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C[C@@H](O)C[NH3+])C1 ZINC001343445749 889909740 /nfs/dbraw/zinc/90/97/40/889909740.db2.gz XYKXACOEQJYVDV-QWHCGFSZSA-N 2 0 269.389 -0.114 20 0 CBADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001444248768 912400669 /nfs/dbraw/zinc/40/06/69/912400669.db2.gz PLYDIGWLXBUZIU-XQQFMLRXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+](C)CCNC(=O)C1CC2(C1)C[C@H]([NH3+])CCO2 ZINC001343486247 889917674 /nfs/dbraw/zinc/91/76/74/889917674.db2.gz KCKXCKCBEBSOQP-QWKFWESOSA-N 2 0 255.362 -0.049 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@H]3C[NH2+]CCO3)[C@H]2C1 ZINC001343592691 889938177 /nfs/dbraw/zinc/93/81/77/889938177.db2.gz QGLAOGLRPZUICZ-FIQHERPVSA-N 2 0 253.346 -0.569 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001343591021 889939430 /nfs/dbraw/zinc/93/94/30/889939430.db2.gz AWBGNSAFTQHRFC-QNWHQSFQSA-N 2 0 268.405 -0.278 20 0 CBADRP CSCC[C@H]([NH3+])CC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001343672149 889945902 /nfs/dbraw/zinc/94/59/02/889945902.db2.gz IRQDHQQTRUMAEV-UWVGGRQHSA-N 2 0 261.391 -0.439 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCC2(CC[NH2+]2)CC1 ZINC001343701351 889949690 /nfs/dbraw/zinc/94/96/90/889949690.db2.gz RKQSRAWGRQOAML-CQSZACIVSA-N 2 0 267.373 -0.155 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001343763671 889962734 /nfs/dbraw/zinc/96/27/34/889962734.db2.gz FGXUEIHSIVDSPF-YPMHNXCESA-N 2 0 255.362 -0.169 20 0 CBADRP C[NH+](C)C1(C(=O)NCC2([NH2+]CC(N)=O)CCCC2)CCC1 ZINC001444496952 912454833 /nfs/dbraw/zinc/45/48/33/912454833.db2.gz FYSYLENARYHREY-UHFFFAOYSA-N 2 0 296.415 -0.025 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001444627965 912480851 /nfs/dbraw/zinc/48/08/51/912480851.db2.gz HZBUZAOIRSFVDU-RYUDHWBXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001444681031 912490511 /nfs/dbraw/zinc/49/05/11/912490511.db2.gz UNBPQDPPDPJEOS-RYUDHWBXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001444681023 912491118 /nfs/dbraw/zinc/49/11/18/912491118.db2.gz UNBPQDPPDPJEOS-NEPJUHHUSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001444684090 912491201 /nfs/dbraw/zinc/49/12/01/912491201.db2.gz DMVGWUBTKIKJPJ-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001444717472 912496268 /nfs/dbraw/zinc/49/62/68/912496268.db2.gz HRENLEFYXHKFND-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCC[C@]12CC[NH2+]C2 ZINC001345627681 890148898 /nfs/dbraw/zinc/14/88/98/890148898.db2.gz YWTAIZWPAGEAIH-ZIAGYGMSSA-N 2 0 267.373 -0.155 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001345856442 890172490 /nfs/dbraw/zinc/17/24/90/890172490.db2.gz RLZSVEXLVXWYOO-MXWKQRLJSA-N 2 0 268.361 -0.889 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001345904048 890177760 /nfs/dbraw/zinc/17/77/60/890177760.db2.gz NXXLNHXQOFZMIU-FSZOTQKASA-N 2 0 265.361 -0.344 20 0 CBADRP [NH3+]CCCNC(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC001346056951 890207598 /nfs/dbraw/zinc/20/75/98/890207598.db2.gz GHDAXSWCNUXPSJ-UTUOFQBUSA-N 2 0 255.362 -0.001 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001445112742 912562267 /nfs/dbraw/zinc/56/22/67/912562267.db2.gz NZPDPUBPPAQNJI-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP Cn1cncc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001445144623 912576569 /nfs/dbraw/zinc/57/65/69/912576569.db2.gz BFXJNEVSSUZXSQ-OLZOCXBDSA-N 2 0 295.387 -0.919 20 0 CBADRP C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)[C@H]1C[N@H+](C)CCN1C ZINC001346228505 890241042 /nfs/dbraw/zinc/24/10/42/890241042.db2.gz KCGQSCPQNMIFFW-WCFLWFBJSA-N 2 0 268.405 -0.136 20 0 CBADRP C[C@@H](NC(=O)CC1([NH3+])CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001346228796 890241892 /nfs/dbraw/zinc/24/18/92/890241892.db2.gz MFYPAIMCXMAMTJ-MNOVXSKESA-N 2 0 254.378 -0.382 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC001346319267 890267764 /nfs/dbraw/zinc/26/77/64/890267764.db2.gz JXSWAWAMUYVDKX-RKDXNWHRSA-N 2 0 264.320 -0.621 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NC[C@H]1CCC[NH2+]CC1 ZINC001346429734 890287220 /nfs/dbraw/zinc/28/72/20/890287220.db2.gz CPTBELGGBCQLKK-JSGCOSHPSA-N 2 0 269.389 -0.003 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001346477388 890299771 /nfs/dbraw/zinc/29/97/71/890299771.db2.gz DKQGBVVKBUPUOH-AAEUAGOBSA-N 2 0 270.377 -0.336 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)NCCCC[NH3+] ZINC001346477915 890300244 /nfs/dbraw/zinc/30/02/44/890300244.db2.gz IUINNUMFVQLPDQ-LLVKDONJSA-N 2 0 258.366 -0.255 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001346608960 890331287 /nfs/dbraw/zinc/33/12/87/890331287.db2.gz JNTSDQFIKMVZRH-NWDGAFQWSA-N 2 0 269.393 -0.682 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001346538934 890319281 /nfs/dbraw/zinc/31/92/81/890319281.db2.gz ZRMCJURVEBMBJE-GMTAPVOTSA-N 2 0 256.350 -0.647 20 0 CBADRP CC[C@@H]([NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001445321952 912634528 /nfs/dbraw/zinc/63/45/28/912634528.db2.gz LTUYRXNXNWJSGK-VXGBXAGGSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@H]([NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001445321937 912634832 /nfs/dbraw/zinc/63/48/32/912634832.db2.gz LTUYRXNXNWJSGK-NEPJUHHUSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001445394828 912656876 /nfs/dbraw/zinc/65/68/76/912656876.db2.gz NLPPXKJPYXHVPV-LLVKDONJSA-N 2 0 282.388 -0.558 20 0 CBADRP CC(C)([NH3+])CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001347147526 890415978 /nfs/dbraw/zinc/41/59/78/890415978.db2.gz GGLQRDKKKZPTRB-QMMMGPOBSA-N 2 0 251.334 -0.046 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001445452812 912664823 /nfs/dbraw/zinc/66/48/23/912664823.db2.gz YFAXRZZBCXOJOT-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001445438225 912665600 /nfs/dbraw/zinc/66/56/00/912665600.db2.gz PMQDVYSNXIZQLG-NEPJUHHUSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001445432203 912666298 /nfs/dbraw/zinc/66/62/98/912666298.db2.gz AJLOLQGEWASAKS-MNOVXSKESA-N 2 0 286.420 -0.068 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001445438226 912667399 /nfs/dbraw/zinc/66/73/99/912667399.db2.gz PMQDVYSNXIZQLG-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP [NH3+]CCC1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC001347157737 890418353 /nfs/dbraw/zinc/41/83/53/890418353.db2.gz ROKZUVYDDCSVSM-NEPJUHHUSA-N 2 0 255.362 -0.062 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)NC(=O)C[NH+]1CCCC1 ZINC001445505159 912680743 /nfs/dbraw/zinc/68/07/43/912680743.db2.gz TUKAYUUMIVLZOW-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001445603980 912712611 /nfs/dbraw/zinc/71/26/11/912712611.db2.gz BIJWWOTYFVBIMW-GARJFASQSA-N 2 0 272.393 -0.459 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001445649406 912723270 /nfs/dbraw/zinc/72/32/70/912723270.db2.gz UHBUZSOSVHJAAF-NSHDSACASA-N 2 0 282.388 -0.687 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445650423 912724436 /nfs/dbraw/zinc/72/44/36/912724436.db2.gz VWCXAJFXCOKBEW-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001445932614 912781046 /nfs/dbraw/zinc/78/10/46/912781046.db2.gz GGZYCCCEEGGUMA-RYUDHWBXSA-N 2 0 282.388 -0.689 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001086136906 884642509 /nfs/dbraw/zinc/64/25/09/884642509.db2.gz DLNJLHHXWDDTJK-TXEJJXNPSA-N 2 0 294.399 -0.416 20 0 CBADRP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@H+](CCO)C[C@H]2O)CC1 ZINC001090604411 884646520 /nfs/dbraw/zinc/64/65/20/884646520.db2.gz BVRTXXOJYUYEFP-UONOGXRCSA-N 2 0 299.415 -0.738 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)CCc2c[nH]cn2)C1=O ZINC001128972472 884668746 /nfs/dbraw/zinc/66/87/46/884668746.db2.gz BXNYGCXDBJZTQQ-NSHDSACASA-N 2 0 279.344 -0.721 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)CCc1c[nH]cn1 ZINC001128986102 884669060 /nfs/dbraw/zinc/66/90/60/884669060.db2.gz GXFZZBBIRUESPR-UHFFFAOYSA-N 2 0 281.360 -0.474 20 0 CBADRP C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176564085 884704315 /nfs/dbraw/zinc/70/43/15/884704315.db2.gz LCWOURBHWRVETD-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001188145949 884722173 /nfs/dbraw/zinc/72/21/73/884722173.db2.gz SINVUURELUXETH-CYBMUJFWSA-N 2 0 296.415 -0.204 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001210788637 884766289 /nfs/dbraw/zinc/76/62/89/884766289.db2.gz HAFDMLBVEZQBCH-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219793171 884792697 /nfs/dbraw/zinc/79/26/97/884792697.db2.gz AYTCTCJXCGFERM-AWEZNQCLSA-N 4 0 297.447 -0.615 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CCCF ZINC001325990441 884866719 /nfs/dbraw/zinc/86/67/19/884866719.db2.gz RPLTUHNHXXSQIX-GFCCVEGCSA-N 2 0 275.368 -0.149 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC001326027484 884874152 /nfs/dbraw/zinc/87/41/52/884874152.db2.gz TUPAHYWHCZHDEI-LLVKDONJSA-N 2 0 280.376 -0.302 20 0 CBADRP O=c1c2c(ncn1C[C@@H]1CCC[NH2+]C1)CC[NH2+]CC2 ZINC001326018552 884876414 /nfs/dbraw/zinc/87/64/14/884876414.db2.gz OMDFQSPCLVFGPY-LLVKDONJSA-N 2 0 262.357 -0.069 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC001326038047 884881873 /nfs/dbraw/zinc/88/18/73/884881873.db2.gz NJRYBJKOMGTZTO-SNVBAGLBSA-N 2 0 256.350 -0.996 20 0 CBADRP O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1C[C@@H]1CC[NH2+]C1 ZINC001326051596 884886776 /nfs/dbraw/zinc/88/67/76/884886776.db2.gz CQLKZXGUDIQFFJ-BXKDBHETSA-N 2 0 252.318 -0.730 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001326152233 884925253 /nfs/dbraw/zinc/92/52/53/884925253.db2.gz YIBMROSFCZKMKP-VIFPVBQESA-N 2 0 266.349 -0.330 20 0 CBADRP [NH3+]C[C@H]1CCCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC001326256965 884962451 /nfs/dbraw/zinc/96/24/51/884962451.db2.gz CNNJAVXTEQDXDQ-SECBINFHSA-N 2 0 263.345 -0.134 20 0 CBADRP C[C@H]1CCCN(CC(=O)N2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC001326275870 884965077 /nfs/dbraw/zinc/96/50/77/884965077.db2.gz NVXXUTUKNUHPEY-RYUDHWBXSA-N 2 0 254.378 -0.523 20 0 CBADRP O=C(CN1CC[C@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001326278000 884967566 /nfs/dbraw/zinc/96/75/66/884967566.db2.gz PZQLQCVAFVORPA-ZDUSSCGKSA-N 2 0 252.362 -0.896 20 0 CBADRP C[N@H+](CCNS(C)(=O)=O)CCC1CC[NH2+]CC1 ZINC001326309567 884980734 /nfs/dbraw/zinc/98/07/34/884980734.db2.gz NTMNSQOLGCQEGZ-UHFFFAOYSA-N 2 0 263.407 -0.143 20 0 CBADRP CCOC(=O)[C@H]1CNCCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC001326310042 884981970 /nfs/dbraw/zinc/98/19/70/884981970.db2.gz USPVFZRJPCZYFO-NXEZZACHSA-N 2 0 269.345 -0.652 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC001326309586 884982775 /nfs/dbraw/zinc/98/27/75/884982775.db2.gz OMMSXUVMVKILKA-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC001326354792 885000553 /nfs/dbraw/zinc/00/05/53/885000553.db2.gz ZJMRUMBAQWPUCQ-VXGBXAGGSA-N 2 0 263.345 -0.019 20 0 CBADRP [NH3+]C[C@H]1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC001326360697 885005319 /nfs/dbraw/zinc/00/53/19/885005319.db2.gz ABCNSBGSLXHLSN-NXEZZACHSA-N 2 0 263.345 -0.093 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+]CCC2(C[NH3+])CC2)C1 ZINC001326412921 885020193 /nfs/dbraw/zinc/02/01/93/885020193.db2.gz DQFHLZMBGHMUBM-GFCCVEGCSA-N 3 0 268.405 -0.098 20 0 CBADRP C[C@@H](CNC(=O)C1([NH3+])CC1)C[NH+]1CCN(C)CC1 ZINC001326409505 885019879 /nfs/dbraw/zinc/01/98/79/885019879.db2.gz ZAJGQXKKMHSRRV-NSHDSACASA-N 2 0 254.378 -0.523 20 0 CBADRP C[NH2+]CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001326451712 885031126 /nfs/dbraw/zinc/03/11/26/885031126.db2.gz DBLUBEJWICCVNC-WDEREUQCSA-N 2 0 251.334 -0.717 20 0 CBADRP CC[C@@H](C(=O)N1CCN(C(=O)CC[NH+](C)C)CC1)[NH+](C)C ZINC001446483594 912890174 /nfs/dbraw/zinc/89/01/74/912890174.db2.gz WIDJUGYHXXJEED-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCC(CC[NH3+])CC1 ZINC001326607109 885085496 /nfs/dbraw/zinc/08/54/96/885085496.db2.gz RGFVEFWPCBHCMU-GFCCVEGCSA-N 2 0 256.394 -0.147 20 0 CBADRP C[NH2+]C[C@](C)(O)CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001326487303 885045849 /nfs/dbraw/zinc/04/58/49/885045849.db2.gz LLQMYIJLCNXCEJ-GJZGRUSLSA-N 2 0 284.448 -0.331 20 0 CBADRP C[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC[C@@H]1[NH3+] ZINC001326501405 885049382 /nfs/dbraw/zinc/04/93/82/885049382.db2.gz DYNOBXYBQZMPKM-UPJWGTAASA-N 3 0 268.405 -0.147 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)c1cn(CCC[NH3+])nn1 ZINC001326565927 885067919 /nfs/dbraw/zinc/06/79/19/885067919.db2.gz IPFLKRMXVZHOGA-SECBINFHSA-N 2 0 252.322 -0.939 20 0 CBADRP C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C1=CC[N@H+](C)CC1 ZINC001326596798 885079997 /nfs/dbraw/zinc/07/99/97/885079997.db2.gz NWCRZZFUWUEBDI-ZBFHGGJFSA-N 3 0 296.459 -0.165 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC001326807366 885159629 /nfs/dbraw/zinc/15/96/29/885159629.db2.gz NDZDVWPZQXVJOQ-RWMBFGLXSA-N 2 0 296.415 -0.489 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC001326847549 885173590 /nfs/dbraw/zinc/17/35/90/885173590.db2.gz SAZFSWOYHGFSHO-MXWKQRLJSA-N 2 0 268.361 -0.998 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC001326847431 885174335 /nfs/dbraw/zinc/17/43/35/885174335.db2.gz QDIGLKPVJWRCJT-RWMBFGLXSA-N 2 0 296.415 -0.441 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001326924173 885194969 /nfs/dbraw/zinc/19/49/69/885194969.db2.gz UKYRTXWNADNZPD-SFYZADRCSA-N 2 0 251.277 -0.536 20 0 CBADRP CNC(=[NH2+])NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC001326941050 885197494 /nfs/dbraw/zinc/19/74/94/885197494.db2.gz XIQWBBUWBCJUNV-UHFFFAOYSA-N 2 0 255.366 -0.292 20 0 CBADRP CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CCO1 ZINC001326967878 885208127 /nfs/dbraw/zinc/20/81/27/885208127.db2.gz SSQQQDCWQFFVEL-OLZOCXBDSA-N 2 0 285.388 -0.456 20 0 CBADRP CNC(=O)NC(=O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001327089757 885251864 /nfs/dbraw/zinc/25/18/64/885251864.db2.gz MSJMNFSQXHMJFA-UHFFFAOYSA-N 2 0 268.361 -0.092 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001327162188 885271749 /nfs/dbraw/zinc/27/17/49/885271749.db2.gz YZALYGBXBYEVEQ-GARJFASQSA-N 2 0 270.377 -0.704 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC001327159194 885272823 /nfs/dbraw/zinc/27/28/23/885272823.db2.gz HCQADGOTTFUWEO-LPWJVIDDSA-N 2 0 296.415 -0.314 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC001327159710 885272904 /nfs/dbraw/zinc/27/29/04/885272904.db2.gz KNBMLNVLWBFQCW-RWMBFGLXSA-N 2 0 296.415 -0.299 20 0 CBADRP CCN1CC[NH+](CCCCNC(=O)[C@@H](C)[NH3+])CC1 ZINC001327196763 885285385 /nfs/dbraw/zinc/28/53/85/885285385.db2.gz WJGINCFUQPEGEX-GFCCVEGCSA-N 2 0 256.394 -0.133 20 0 CBADRP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001446702964 912922099 /nfs/dbraw/zinc/92/20/99/912922099.db2.gz VBRWAJOGLJPXPB-STQMWFEESA-N 2 0 299.415 -0.284 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC001327472060 885367042 /nfs/dbraw/zinc/36/70/42/885367042.db2.gz NGHJNPHCQHIVIA-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001327503266 885380061 /nfs/dbraw/zinc/38/00/61/885380061.db2.gz KNSNMPBAEWHSSR-JHJVBQTASA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@@H]([NH3+])C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC001327577688 885410622 /nfs/dbraw/zinc/41/06/22/885410622.db2.gz DBAMNHUMIOMSOC-GFCCVEGCSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001327579050 885414357 /nfs/dbraw/zinc/41/43/57/885414357.db2.gz MGEVMTRLQZRDIS-CMPLNLGQSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)CC[NH2+]C2CC2)n1 ZINC001327602247 885425264 /nfs/dbraw/zinc/42/52/64/885425264.db2.gz WFZPFKPTGOGOCR-UHFFFAOYSA-N 2 0 265.317 -0.601 20 0 CBADRP CC[N@H+](CCNC(=O)C1=NO[C@H](C[NH3+])C1)C(C)C ZINC001327601151 885425947 /nfs/dbraw/zinc/42/59/47/885425947.db2.gz GZGURCZJSYKWQH-JTQLQIEISA-N 2 0 256.350 -0.064 20 0 CBADRP C(NC[C@@H]1C[NH2+]CCO1)c1nc2c(s1)C[NH2+]CC2 ZINC001327642241 885439748 /nfs/dbraw/zinc/43/97/48/885439748.db2.gz ADVOEMGCWDIWHD-VIFPVBQESA-N 2 0 268.386 -0.133 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C[NH2+]CCO)CCOCC1 ZINC001327651144 885442882 /nfs/dbraw/zinc/44/28/82/885442882.db2.gz WRPAAEMJOWUYEO-ZDUSSCGKSA-N 2 0 299.415 -0.282 20 0 CBADRP O=C(NC1CC[NH2+]CC1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001327918968 885528155 /nfs/dbraw/zinc/52/81/55/885528155.db2.gz RNMGNVDWXFOUSG-SECBINFHSA-N 2 0 263.345 -0.032 20 0 CBADRP C[NH2+]CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001327920071 885529069 /nfs/dbraw/zinc/52/90/69/885529069.db2.gz YQJVMKWYSJMRNM-JTQLQIEISA-N 2 0 266.349 -0.458 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)c1cn(CCCC[NH3+])nn1 ZINC001327929517 885532679 /nfs/dbraw/zinc/53/26/79/885532679.db2.gz QWGIFMHRGSCZQG-UHFFFAOYSA-N 2 0 268.365 -0.174 20 0 CBADRP Cn1cc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cn1 ZINC001327975978 885545795 /nfs/dbraw/zinc/54/57/95/885545795.db2.gz URWNGGICJYTKDL-CYBMUJFWSA-N 2 0 267.377 -0.882 20 0 CBADRP [NH3+]CCOc1ccc(NC(=O)CNC(=O)C[NH3+])cc1 ZINC001328203108 885600032 /nfs/dbraw/zinc/60/00/32/885600032.db2.gz KWGSRTFNMNFDOH-UHFFFAOYSA-N 2 0 266.301 -0.963 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001328206741 885603251 /nfs/dbraw/zinc/60/32/51/885603251.db2.gz AAWSXRLTWKQFTK-UHFFFAOYSA-N 2 0 287.404 -0.736 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@H]2CCC[NH2+]CC2)nn1 ZINC001328258690 885616270 /nfs/dbraw/zinc/61/62/70/885616270.db2.gz VQUFOZRKGAENGJ-JTQLQIEISA-N 2 0 266.349 -0.501 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCC[NH3+])C1 ZINC001328368028 885657564 /nfs/dbraw/zinc/65/75/64/885657564.db2.gz MGRDGVASZLFLIK-NSHDSACASA-N 2 0 270.377 -0.558 20 0 CBADRP C[NH2+][C@@H](C)Cc1noc(CNC(=O)[C@@H]2CCC[NH2+]2)n1 ZINC001328387869 885665495 /nfs/dbraw/zinc/66/54/95/885665495.db2.gz OITOTUQXMKFZPB-IUCAKERBSA-N 2 0 267.333 -0.412 20 0 CBADRP CN(C)C(=O)[C@H]1CN(C[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001328398343 885668397 /nfs/dbraw/zinc/66/83/97/885668397.db2.gz JICRYUGOCFHOIS-NWDGAFQWSA-N 2 0 254.378 -0.652 20 0 CBADRP [NH3+]C[C@@H]1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC001328435770 885684473 /nfs/dbraw/zinc/68/44/73/885684473.db2.gz DALUNHIABXBLAL-VHSXEESVSA-N 2 0 263.345 -0.093 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC[C@H]1[NH3+] ZINC001328454801 885693964 /nfs/dbraw/zinc/69/39/64/885693964.db2.gz KUHMMZBCPMTUPH-DDHJBXDOSA-N 2 0 255.362 -0.064 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC[N@@H+]1C ZINC001328454284 885694208 /nfs/dbraw/zinc/69/42/08/885694208.db2.gz DXAWABSEIGFXCO-WISYIIOYSA-N 2 0 255.362 -0.051 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC001328524394 885715901 /nfs/dbraw/zinc/71/59/01/885715901.db2.gz JKYOEAKKCKRVSX-AVGNSLFASA-N 2 0 267.373 -0.083 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001328522404 885716441 /nfs/dbraw/zinc/71/64/41/885716441.db2.gz MFGMDEPXTYRVPN-QWRGUYRKSA-N 2 0 268.361 -0.948 20 0 CBADRP CC[NH2+]CC(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001328523834 885716674 /nfs/dbraw/zinc/71/66/74/885716674.db2.gz GGGUKQDRXHDPBQ-NSHDSACASA-N 2 0 266.349 -0.490 20 0 CBADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC001328581239 885731285 /nfs/dbraw/zinc/73/12/85/885731285.db2.gz IZJMTFPWXHSEHO-DZGCQCFKSA-N 2 0 281.400 -0.051 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)NC1C[NH2+]C1 ZINC001328732787 885797062 /nfs/dbraw/zinc/79/70/62/885797062.db2.gz NNFDDQSVODISFI-MNOVXSKESA-N 2 0 268.361 -0.937 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001328773729 885809847 /nfs/dbraw/zinc/80/98/47/885809847.db2.gz XAJINDRGHDJKPH-STQMWFEESA-N 2 0 296.415 -0.217 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC001328845747 885829114 /nfs/dbraw/zinc/82/91/14/885829114.db2.gz DMZOMQDYWJWTKZ-RYUDHWBXSA-N 2 0 267.373 -0.171 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001328845829 885829700 /nfs/dbraw/zinc/82/97/00/885829700.db2.gz FVIQIKUHIWMKQZ-ITGUQSILSA-N 2 0 267.373 -0.321 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]CCO)C2)CC[N@@H+]1C ZINC001328859597 885832740 /nfs/dbraw/zinc/83/27/40/885832740.db2.gz RVDRZGPWKHBQHO-IKWCTNDRSA-N 2 0 269.389 -0.197 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001328959599 885859317 /nfs/dbraw/zinc/85/93/17/885859317.db2.gz RHWVECPIWSGJEU-JTQLQIEISA-N 2 0 296.375 -0.811 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCC1CC1 ZINC001329044345 885897454 /nfs/dbraw/zinc/89/74/54/885897454.db2.gz BZHRWXFSVPMLDD-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP Cc1noc(CCC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)n1 ZINC001329142382 885949437 /nfs/dbraw/zinc/94/94/37/885949437.db2.gz PKVDBTVVOZJXSE-CYBMUJFWSA-N 2 0 297.403 -0.491 20 0 CBADRP C[NH+]1CCN(C2CC[NH+](CCN3CC[NH2+]CC3)CC2)CC1 ZINC001329315527 886010502 /nfs/dbraw/zinc/01/05/02/886010502.db2.gz IEKDONJQUCGBMH-UHFFFAOYSA-N 3 0 295.475 -0.397 20 0 CBADRP CN(C(=O)c1cn(CCCC[NH3+])nn1)C1CC([NH3+])C1 ZINC001329364364 886029639 /nfs/dbraw/zinc/02/96/39/886029639.db2.gz JVPHVCKLWHEODI-UHFFFAOYSA-N 2 0 266.349 -0.421 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)nn1 ZINC001329372596 886032795 /nfs/dbraw/zinc/03/27/95/886032795.db2.gz XSDKBAHGMRLAHK-KOLCDFICSA-N 2 0 264.333 -0.939 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCC2(CO)CC2)CC1 ZINC001329434649 886066131 /nfs/dbraw/zinc/06/61/31/886066131.db2.gz VKRSYVZTEUEXMW-ZDUSSCGKSA-N 2 0 271.405 -0.653 20 0 CBADRP C[C@@H]1CN(CC(=O)N2CC[NH2+]CC2)[C@@H](C)C[N@@H+]1C ZINC001329497846 886097420 /nfs/dbraw/zinc/09/74/20/886097420.db2.gz AAEHZBAUTDLCJD-NEPJUHHUSA-N 2 0 254.378 -0.557 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001329499077 886098157 /nfs/dbraw/zinc/09/81/57/886098157.db2.gz NFZAKDPXROFWRY-LLVKDONJSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@H](C(=O)NCC[N@@H+]1CC[C@@H](O)C1)n1ccnc1 ZINC001329569994 886128850 /nfs/dbraw/zinc/12/88/50/886128850.db2.gz VNJFUCBSDFAELU-GHMZBOCLSA-N 2 0 252.318 -0.373 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001329593524 886133614 /nfs/dbraw/zinc/13/36/14/886133614.db2.gz PRIDAOSYDKJCIQ-ZDUSSCGKSA-N 2 0 268.405 -0.038 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001329592709 886134377 /nfs/dbraw/zinc/13/43/77/886134377.db2.gz DELQOBGZYFDEHV-DCAQKATOSA-N 2 0 268.361 -0.902 20 0 CBADRP [NH3+]C[C@@H]1CN(CCN2CC[NH2+]CC2)C[C@@H]1C(F)(F)F ZINC001329702332 886181770 /nfs/dbraw/zinc/18/17/70/886181770.db2.gz PABXPKCQKWQBTI-MNOVXSKESA-N 2 0 280.338 -0.039 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)C1 ZINC001329703287 886181786 /nfs/dbraw/zinc/18/17/86/886181786.db2.gz LKPIBIGJNIMQKF-MROQNXINSA-N 2 0 294.399 -0.702 20 0 CBADRP COC[C@H](C)[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001447061053 913016552 /nfs/dbraw/zinc/01/65/52/913016552.db2.gz VWYMDJTXPGIUKM-STQMWFEESA-N 2 0 287.404 -0.617 20 0 CBADRP COC[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001447061033 913016641 /nfs/dbraw/zinc/01/66/41/913016641.db2.gz VWYMDJTXPGIUKM-CHWSQXEVSA-N 2 0 287.404 -0.617 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001329843748 886234468 /nfs/dbraw/zinc/23/44/68/886234468.db2.gz RVHBECWIBAHLBN-NWDGAFQWSA-N 2 0 280.372 -0.839 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001329924865 886277637 /nfs/dbraw/zinc/27/76/37/886277637.db2.gz WUAISIFFMNNFHP-DTWKUNHWSA-N 2 0 251.334 -0.046 20 0 CBADRP O=C1C[C@@H](C[NH2+]C2CCN([C@H]3CCOC3)CC2)CN1 ZINC001329942060 886290416 /nfs/dbraw/zinc/29/04/16/886290416.db2.gz VLRWMMSQXBEWPM-AAEUAGOBSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)NC1(C[NH3+])CCOCC1 ZINC001330004589 886320613 /nfs/dbraw/zinc/32/06/13/886320613.db2.gz SJNHIQRPSSJIRM-SNVBAGLBSA-N 2 0 258.366 -0.209 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001330024305 886330569 /nfs/dbraw/zinc/33/05/69/886330569.db2.gz PAHRZSDSFFWSOI-IJLUTSLNSA-N 2 0 280.372 -0.793 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001330038839 886335719 /nfs/dbraw/zinc/33/57/19/886335719.db2.gz DQWOZSLQECVVPW-MXWKQRLJSA-N 2 0 270.377 -0.752 20 0 CBADRP C[C@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)n1ccnc1 ZINC001330115283 886362520 /nfs/dbraw/zinc/36/25/20/886362520.db2.gz PTTOIMAPQODDCK-NEPJUHHUSA-N 2 0 293.371 -0.100 20 0 CBADRP Cn1cncc1CCC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001330214248 886391067 /nfs/dbraw/zinc/39/10/67/886391067.db2.gz LIIKUFZHTGAERM-LBPRGKRZSA-N 2 0 266.345 -0.465 20 0 CBADRP C[C@H]([NH3+])Cn1cc(CCN2CCC([NH3+])CC2)nn1 ZINC001330288939 886412496 /nfs/dbraw/zinc/41/24/96/886412496.db2.gz BCEMZEXKWVRMET-JTQLQIEISA-N 2 0 252.366 -0.409 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001330509523 886462397 /nfs/dbraw/zinc/46/23/97/886462397.db2.gz BVVPDVOFJHEMDV-SNVBAGLBSA-N 2 0 296.375 -0.893 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)C1 ZINC001330528718 886470774 /nfs/dbraw/zinc/47/07/74/886470774.db2.gz NWWHMKYGUMKZPK-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH2+]C)C1 ZINC001330528711 886471191 /nfs/dbraw/zinc/47/11/91/886471191.db2.gz NWWHMKYGUMKZPK-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC001330593023 886492526 /nfs/dbraw/zinc/49/25/26/886492526.db2.gz VXQTXPOJZSRBPA-GFCCVEGCSA-N 2 0 297.403 -0.766 20 0 CBADRP C[NH2+][C@@H](C)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001330591937 886493628 /nfs/dbraw/zinc/49/36/28/886493628.db2.gz LWDJFPLFPAIWQF-JQWIXIFHSA-N 2 0 255.362 -0.036 20 0 CBADRP [NH3+]CCCOC1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC001330609345 886500461 /nfs/dbraw/zinc/50/04/61/886500461.db2.gz HLFQGEGJFMXWQX-NWDGAFQWSA-N 2 0 271.361 -0.541 20 0 CBADRP COC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001447303842 913049973 /nfs/dbraw/zinc/04/99/73/913049973.db2.gz KDKCRECXHRMINB-KGLIPLIRSA-N 2 0 299.415 -0.066 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001330640703 886514571 /nfs/dbraw/zinc/51/45/71/886514571.db2.gz IYKXCIIVUIZBGT-GXFFZTMASA-N 2 0 263.345 -0.440 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC001330859497 886597648 /nfs/dbraw/zinc/59/76/48/886597648.db2.gz GGHOGYQQOQFUKY-UWVGGRQHSA-N 2 0 256.350 -0.950 20 0 CBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001330869907 886606402 /nfs/dbraw/zinc/60/64/02/886606402.db2.gz JIUODWSNLOUCBL-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](N)CC[NH+](C)C ZINC001330937713 886629332 /nfs/dbraw/zinc/62/93/32/886629332.db2.gz KSQAFHAHCCPIJJ-NEPJUHHUSA-N 2 0 256.394 -0.134 20 0 CBADRP CC(C)([NH3+])CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001330941740 886632114 /nfs/dbraw/zinc/63/21/14/886632114.db2.gz PEMMREHUKOEAIE-VIFPVBQESA-N 2 0 256.350 -0.902 20 0 CBADRP CN(CCC[N@H+](C)[C@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001447362672 913063699 /nfs/dbraw/zinc/06/36/99/913063699.db2.gz XZSVFHUYFRXCPM-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001331004554 886644641 /nfs/dbraw/zinc/64/46/41/886644641.db2.gz GBEXSPZDXGXZGX-TZMCWYRMSA-N 2 0 267.373 -0.033 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001331016932 886648201 /nfs/dbraw/zinc/64/82/01/886648201.db2.gz SNPJTOFIJLKCES-HLTSFMKQSA-N 2 0 263.288 -0.536 20 0 CBADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCC[NH3+] ZINC001331026207 886650283 /nfs/dbraw/zinc/65/02/83/886650283.db2.gz NSZNKDLZDBHZTB-JTQLQIEISA-N 2 0 251.334 -0.195 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001331054418 886659591 /nfs/dbraw/zinc/65/95/91/886659591.db2.gz YPGUXHUSKKBDLE-AXFHLTTASA-N 2 0 253.346 -0.107 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001331052779 886660662 /nfs/dbraw/zinc/66/06/62/886660662.db2.gz JKCKNTKQSSEUHQ-NXEZZACHSA-N 2 0 253.346 -0.439 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001331054419 886660884 /nfs/dbraw/zinc/66/08/84/886660884.db2.gz YPGUXHUSKKBDLE-MXWKQRLJSA-N 2 0 253.346 -0.107 20 0 CBADRP CC1(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[NH2+]C1 ZINC001331065572 886665803 /nfs/dbraw/zinc/66/58/03/886665803.db2.gz CPLPVKXQCNSWIT-LLVKDONJSA-N 2 0 267.373 -0.129 20 0 CBADRP C[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)CC[C@@H]1O ZINC001331108849 886675724 /nfs/dbraw/zinc/67/57/24/886675724.db2.gz GSJVPARDRUCTTE-AAEUAGOBSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331194962 886722385 /nfs/dbraw/zinc/72/23/85/886722385.db2.gz DHVWFZBCNMGQTL-JHJVBQTASA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1CC[C@@H](C[NH3+])N(CC(=O)N2CC[NH2+]CC2)[C@H]1C ZINC001331286338 886765018 /nfs/dbraw/zinc/76/50/18/886765018.db2.gz AGKCQZANWJHGIH-AGIUHOORSA-N 2 0 268.405 -0.134 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC001331514734 886830002 /nfs/dbraw/zinc/83/00/02/886830002.db2.gz XBYZLYLXDFPZLW-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001447470158 913086029 /nfs/dbraw/zinc/08/60/29/913086029.db2.gz NLGXKKDMKQBOFV-CQSZACIVSA-N 2 0 287.404 -0.736 20 0 CBADRP C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCO ZINC001331617136 886869260 /nfs/dbraw/zinc/86/92/60/886869260.db2.gz SGGSMCCKENQGPR-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001331665830 886890164 /nfs/dbraw/zinc/89/01/64/886890164.db2.gz BYXYBIWMIDCTCJ-TXEJJXNPSA-N 2 0 296.415 -0.171 20 0 CBADRP COCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001331712911 886929564 /nfs/dbraw/zinc/92/95/64/886929564.db2.gz VVGNLDQUVUTDIT-CHWSQXEVSA-N 2 0 285.388 -0.959 20 0 CBADRP C[C@@H](C[NH3+])n1cc(CCN2CCC([NH3+])CC2)nn1 ZINC001331856141 887014613 /nfs/dbraw/zinc/01/46/13/887014613.db2.gz BXAKCANFLSKOHH-JTQLQIEISA-N 2 0 252.366 -0.237 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1C[NH+](C)C ZINC001331856427 887016008 /nfs/dbraw/zinc/01/60/08/887016008.db2.gz ROLLGTXLCKTXFG-UPJWGTAASA-N 2 0 296.415 -0.680 20 0 CBADRP CCN(C(=O)NCCCN1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC001331877187 887026043 /nfs/dbraw/zinc/02/60/43/887026043.db2.gz WLXVOHYEZHNLHO-CYBMUJFWSA-N 2 0 283.420 -0.325 20 0 CBADRP C[C@@H]1[C@H]([NH2+]CCO)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001331920208 887045081 /nfs/dbraw/zinc/04/50/81/887045081.db2.gz VVQJXVUSRZHWAY-VXGBXAGGSA-N 2 0 269.389 -0.101 20 0 CBADRP COCC[NH2+]CCc1cn(C2CC[NH2+]CC2)nn1 ZINC001331918368 887045648 /nfs/dbraw/zinc/04/56/48/887045648.db2.gz NKCSLLZVIMBJHH-UHFFFAOYSA-N 2 0 253.350 -0.019 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001331957584 887061982 /nfs/dbraw/zinc/06/19/82/887061982.db2.gz LXTUIEHKBRAHNE-XQQFMLRXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC001331959378 887063908 /nfs/dbraw/zinc/06/39/08/887063908.db2.gz ZDRMGBXSWZZTCT-JTQLQIEISA-N 2 0 270.377 -0.608 20 0 CBADRP Cc1nnc(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)s1 ZINC001331969706 887071102 /nfs/dbraw/zinc/07/11/02/887071102.db2.gz DPKOMJPKUSSHQG-LBPRGKRZSA-N 2 0 299.444 -0.413 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCO)C[C@H]1C ZINC001332051810 887094503 /nfs/dbraw/zinc/09/45/03/887094503.db2.gz UFVPSZZJPCTMJA-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001332155649 887134503 /nfs/dbraw/zinc/13/45/03/887134503.db2.gz BPUIDXGGOVDTBF-UWVGGRQHSA-N 2 0 257.334 -0.713 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)c1cn(CCCC[NH3+])nn1 ZINC001332173006 887142498 /nfs/dbraw/zinc/14/24/98/887142498.db2.gz CRURHUILXMXYJT-NSHDSACASA-N 2 0 280.376 -0.159 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)c1cn(CCCC[NH3+])nn1 ZINC001332173005 887142438 /nfs/dbraw/zinc/14/24/38/887142438.db2.gz CRURHUILXMXYJT-LLVKDONJSA-N 2 0 280.376 -0.159 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001332188962 887146120 /nfs/dbraw/zinc/14/61/20/887146120.db2.gz JZRLOKGGDPACPT-UHFFFAOYSA-N 2 0 298.431 -0.539 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001332219341 887159219 /nfs/dbraw/zinc/15/92/19/887159219.db2.gz ZMNLMJJMMLVYKP-SRVKXCTJSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001332228376 887162113 /nfs/dbraw/zinc/16/21/13/887162113.db2.gz ITAKEPBQGCFLEU-LBPRGKRZSA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@H](CCC[NH3+])NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC001332243395 887168327 /nfs/dbraw/zinc/16/83/27/887168327.db2.gz OCTIIQIRIPJLLE-NXEZZACHSA-N 2 0 256.350 -0.902 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001332295786 887189336 /nfs/dbraw/zinc/18/93/36/887189336.db2.gz MZXDDQLWPDSGFA-DVVUODLYSA-N 2 0 251.334 -0.732 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCC1(C)C ZINC001332330411 887205252 /nfs/dbraw/zinc/20/52/52/887205252.db2.gz BOAHHXHKPNRGSH-HAQNSBGRSA-N 2 0 296.415 -0.217 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001332331652 887206961 /nfs/dbraw/zinc/20/69/61/887206961.db2.gz KROPKINZSAECTI-BETUJISGSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](O)CCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001332357183 887222466 /nfs/dbraw/zinc/22/24/66/887222466.db2.gz PRQXZYDKTQYFEP-CHWSQXEVSA-N 2 0 259.394 -0.655 20 0 CBADRP CC(=O)N1C[C@@H]2C[N@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C[C@@H]2C1 ZINC001332364684 887229279 /nfs/dbraw/zinc/22/92/79/887229279.db2.gz ONXVWKUJIHNFMV-PPCPHDFISA-N 2 0 253.346 -0.753 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)c1cnn(C)c1 ZINC001332399224 887261677 /nfs/dbraw/zinc/26/16/77/887261677.db2.gz DUQIDBRSPLXTDF-JLLWLGSASA-N 2 0 265.361 -0.124 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC001332403472 887265234 /nfs/dbraw/zinc/26/52/34/887265234.db2.gz WXCAIESKXNTWFF-AXFHLTTASA-N 2 0 263.407 -0.522 20 0 CBADRP [NH3+]CCCOC1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001332415160 887272224 /nfs/dbraw/zinc/27/22/24/887272224.db2.gz IFULUXAPRHBPSY-ITGUQSILSA-N 2 0 267.373 -0.192 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C1CC[NH2+]CC1 ZINC001332449500 887290249 /nfs/dbraw/zinc/29/02/49/887290249.db2.gz GPLNBWLKGRQDJQ-LLVKDONJSA-N 2 0 269.345 -0.651 20 0 CBADRP CN(C)C(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001447817278 913133662 /nfs/dbraw/zinc/13/36/62/913133662.db2.gz MNDULGAGVQMDSU-OTTFEQOBSA-N 2 0 296.415 -0.489 20 0 CBADRP CCN(C(=O)NCCN1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001332532554 887342780 /nfs/dbraw/zinc/34/27/80/887342780.db2.gz MPXYMJDNTSMEHQ-LBPRGKRZSA-N 2 0 269.393 -0.715 20 0 CBADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC001332555331 887352677 /nfs/dbraw/zinc/35/26/77/887352677.db2.gz ITPRDAIRAJOIJU-NZEXEKPDSA-N 2 0 267.373 -0.003 20 0 CBADRP COCC[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001332567310 887357893 /nfs/dbraw/zinc/35/78/93/887357893.db2.gz UOKQGRLDRLXOMJ-OLZOCXBDSA-N 2 0 287.404 -0.617 20 0 CBADRP CCO[C@@H]1CN(C(=O)NCCCC[NH3+])C[C@H]1C[NH3+] ZINC001332627204 887381467 /nfs/dbraw/zinc/38/14/67/887381467.db2.gz DZWJNLHFJKCUFX-GHMZBOCLSA-N 2 0 258.366 -0.270 20 0 CBADRP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001332815460 887436811 /nfs/dbraw/zinc/43/68/11/887436811.db2.gz IKQYMDVYTSDFPQ-ZIAGYGMSSA-N 3 0 280.416 -0.656 20 0 CBADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCN1C(=O)CNC1=O)CC2 ZINC001332815918 887436950 /nfs/dbraw/zinc/43/69/50/887436950.db2.gz NOKWZEIMONPKGU-LLVKDONJSA-N 2 0 296.371 -0.632 20 0 CBADRP [NH3+]Cc1ccccc1CNS(=O)(=O)C1C[NH2+]C1 ZINC001332816920 887438110 /nfs/dbraw/zinc/43/81/10/887438110.db2.gz ZGFHGWDFFVRKSJ-UHFFFAOYSA-N 2 0 255.343 -0.464 20 0 CBADRP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001332815454 887438354 /nfs/dbraw/zinc/43/83/54/887438354.db2.gz IKQYMDVYTSDFPQ-KGLIPLIRSA-N 3 0 280.416 -0.656 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001332975772 887492786 /nfs/dbraw/zinc/49/27/86/887492786.db2.gz KVASJLOYNIZKTM-XLFHBGCDSA-N 2 0 261.391 -0.789 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC001333178907 887554820 /nfs/dbraw/zinc/55/48/20/887554820.db2.gz VVZWYGUGWFWKBB-NSHDSACASA-N 2 0 250.302 -0.361 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001333180200 887554998 /nfs/dbraw/zinc/55/49/98/887554998.db2.gz ZGSZOPURVUJFBN-QWRGUYRKSA-N 2 0 270.377 -0.750 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CCC2C[NH2+]C2)C1 ZINC001333335371 887598284 /nfs/dbraw/zinc/59/82/84/887598284.db2.gz DEJQKYPONBWTPE-ZDUSSCGKSA-N 2 0 296.415 -0.310 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC001333362071 887610380 /nfs/dbraw/zinc/61/03/80/887610380.db2.gz UWMMQNJRWBSDDN-GFCCVEGCSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC[N@@H+]1C ZINC001333378738 887616633 /nfs/dbraw/zinc/61/66/33/887616633.db2.gz GLLFUEDLEOXWLW-AGIUHOORSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001333404484 887624542 /nfs/dbraw/zinc/62/45/42/887624542.db2.gz ORWUXVQVHNQQMZ-YVECIDJPSA-N 2 0 296.415 -0.171 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001333405554 887625148 /nfs/dbraw/zinc/62/51/48/887625148.db2.gz MSJYKAGOUODFSI-JHJVBQTASA-N 2 0 294.399 -0.560 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCCC[NH3+] ZINC001333533971 887679987 /nfs/dbraw/zinc/67/99/87/887679987.db2.gz XYAIWIIQAKUTOF-UHFFFAOYSA-N 2 0 287.408 -0.613 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001333602679 887710064 /nfs/dbraw/zinc/71/00/64/887710064.db2.gz OKISIKUGGSRYQZ-JGVFFNPUSA-N 2 0 250.293 -0.122 20 0 CBADRP C[C@@H](CO)[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001333621854 887720672 /nfs/dbraw/zinc/72/06/72/887720672.db2.gz IBZCOAYLHBLLCI-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP [NH3+]CCCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001333622448 887721349 /nfs/dbraw/zinc/72/13/49/887721349.db2.gz NMYWJXRCXIMGFY-SNVBAGLBSA-N 2 0 266.349 -0.329 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001333636448 887730005 /nfs/dbraw/zinc/73/00/05/887730005.db2.gz SORFBDWBAOVLLR-NTZNESFSSA-N 2 0 253.346 -0.438 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC001333682496 887743641 /nfs/dbraw/zinc/74/36/41/887743641.db2.gz FBYBXOKVDHZZFJ-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP Cn1nnnc1CCC[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC001333826233 887782435 /nfs/dbraw/zinc/78/24/35/887782435.db2.gz LRDKHIWHUBTQRS-ZDUSSCGKSA-N 2 0 294.403 -0.014 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC001333884904 887799172 /nfs/dbraw/zinc/79/91/72/887799172.db2.gz QCLRZIURNHVRTH-RYUDHWBXSA-N 2 0 296.415 -0.077 20 0 CBADRP COc1coc(CN2CC[NH2+]CC[NH2+]CC2)cc1=O ZINC001334339706 887927715 /nfs/dbraw/zinc/92/77/15/887927715.db2.gz YUPVNNIWFYRHMD-UHFFFAOYSA-N 2 0 267.329 -0.357 20 0 CBADRP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001334736868 888303110 /nfs/dbraw/zinc/30/31/10/888303110.db2.gz CEEKEMIXVQZEEU-HRCADAONSA-N 3 0 294.443 -0.266 20 0 CBADRP C[C@@H](Cn1cncn1)[NH2+]C1CCN(CC[NH3+])CC1 ZINC001334773885 888319745 /nfs/dbraw/zinc/31/97/45/888319745.db2.gz AQUCWYSRXYPOKK-NSHDSACASA-N 2 0 252.366 -0.321 20 0 CBADRP [NH3+]CCN1CCC([NH2+]C[C@H]2C[NH2+]CCCO2)CC1 ZINC001334775119 888320548 /nfs/dbraw/zinc/32/05/48/888320548.db2.gz SATSBIMJHRPRLF-CYBMUJFWSA-N 3 0 256.394 -0.622 20 0 CBADRP [NH3+][C@@H](CC(F)F)CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001334829817 888338861 /nfs/dbraw/zinc/33/88/61/888338861.db2.gz WNGGLSWVXGYUID-WDEREUQCSA-N 2 0 262.348 -0.052 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)C[C@H]1[NH3+] ZINC001335205787 888445522 /nfs/dbraw/zinc/44/55/22/888445522.db2.gz CQIYDTSBCCSNHG-LPWJVIDDSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCc1nnnn1C ZINC001335252483 888471229 /nfs/dbraw/zinc/47/12/29/888471229.db2.gz JARWJKOGYLGUKK-GARJFASQSA-N 2 0 268.365 -0.515 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC001335261041 888473637 /nfs/dbraw/zinc/47/36/37/888473637.db2.gz CZLDCKIUIABWTK-CHWSQXEVSA-N 2 0 296.415 -0.406 20 0 CBADRP C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001335264925 888477378 /nfs/dbraw/zinc/47/73/78/888477378.db2.gz OUXHNVPXBYOTOV-NEPJUHHUSA-N 2 0 282.388 -0.748 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001335275525 888481094 /nfs/dbraw/zinc/48/10/94/888481094.db2.gz FHQGCYPIGCTDOI-NSHDSACASA-N 2 0 280.372 -0.709 20 0 CBADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCNCC[NH2+]CC1 ZINC001335352889 888514364 /nfs/dbraw/zinc/51/43/64/888514364.db2.gz WERGZPVYOAHINC-CYBMUJFWSA-N 2 0 295.431 -0.325 20 0 CBADRP CC[NH+]1CCN(CC[NH2+]C[C@@H](O)COC(C)C)CC1 ZINC001335384976 888519055 /nfs/dbraw/zinc/51/90/55/888519055.db2.gz UQPGGKNDZAAMHK-CQSZACIVSA-N 2 0 273.421 -0.001 20 0 CBADRP C[C@H](C[C@@H]1COCC[NH2+]1)NCC1([NH3+])CCOCC1 ZINC001335384237 888520200 /nfs/dbraw/zinc/52/02/00/888520200.db2.gz ZIWNZJAAJSZMJG-VXGBXAGGSA-N 2 0 257.378 -0.149 20 0 CBADRP C[NH+]1CCC(O)(C[NH2+]C[C@H](O)CC(C)(C)O)CC1 ZINC001335439757 888534723 /nfs/dbraw/zinc/53/47/23/888534723.db2.gz GUNGJJRHFRCQNE-LLVKDONJSA-N 2 0 260.378 -0.445 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC001335536503 888559973 /nfs/dbraw/zinc/55/99/73/888559973.db2.gz GDRXWMZRTUTGEZ-ZDUSSCGKSA-N 2 0 283.420 -0.338 20 0 CBADRP C[C@@]1(CNC(=O)N2CCNCC[NH2+]CC2)CCC[NH2+]C1 ZINC001335551809 888562972 /nfs/dbraw/zinc/56/29/72/888562972.db2.gz QGTSTSIQADFZBV-CQSZACIVSA-N 2 0 283.420 -0.420 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001335567510 888567380 /nfs/dbraw/zinc/56/73/80/888567380.db2.gz DBLGIVOYRUZHOX-SNVBAGLBSA-N 2 0 258.366 -0.127 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC001335586790 888573786 /nfs/dbraw/zinc/57/37/86/888573786.db2.gz CWRAJUMMLYZJBW-WDEREUQCSA-N 2 0 256.350 -0.632 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001335594861 888575780 /nfs/dbraw/zinc/57/57/80/888575780.db2.gz BAJVEKFOFBNHPL-JCIQBVFBSA-N 2 0 252.362 -0.251 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC001335591426 888576264 /nfs/dbraw/zinc/57/62/64/888576264.db2.gz PFLQXTDCRJZVGC-AXFHLTTASA-N 2 0 256.350 -0.599 20 0 CBADRP O=C(NCC[C@H]1CC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC001335590852 888576409 /nfs/dbraw/zinc/57/64/09/888576409.db2.gz RGWCKTRTOLTEJJ-GFCCVEGCSA-N 2 0 269.393 -0.810 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001335604548 888578947 /nfs/dbraw/zinc/57/89/47/888578947.db2.gz OYGJDKKSJBBNFT-WYUUTHIRSA-N 2 0 254.378 -0.003 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001335687071 888602160 /nfs/dbraw/zinc/60/21/60/888602160.db2.gz MLHMHLOSOSGRMS-SNVBAGLBSA-N 2 0 258.366 -0.480 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C)CC2)C[C@H]1[NH3+] ZINC001335739513 888616145 /nfs/dbraw/zinc/61/61/45/888616145.db2.gz LRVSGURJUAJBGK-MWLCHTKSSA-N 2 0 268.361 -0.998 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001335841233 888641794 /nfs/dbraw/zinc/64/17/94/888641794.db2.gz BHZAJGIZHUDJKL-IEECTRCBSA-N 2 0 265.357 -0.426 20 0 CBADRP CC[NH+]1CCN(CCC[NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001335935868 888658552 /nfs/dbraw/zinc/65/85/52/888658552.db2.gz YIFTVKWNUQNKJD-HNNXBMFYSA-N 2 0 295.431 -0.139 20 0 CBADRP C[NH+]1CCC(CCNC(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001336002171 888668923 /nfs/dbraw/zinc/66/89/23/888668923.db2.gz KCEMWSVZLRTLAS-UHFFFAOYSA-N 2 0 297.447 -0.077 20 0 CBADRP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001336095185 888692471 /nfs/dbraw/zinc/69/24/71/888692471.db2.gz LVPXLJAVNFRCFE-OAGGEKHMSA-N 3 0 294.443 -0.266 20 0 CBADRP C[NH2+]CCNC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001336117593 888697552 /nfs/dbraw/zinc/69/75/52/888697552.db2.gz SCCLWJSSCIZKAX-NSHDSACASA-N 2 0 270.377 -0.336 20 0 CBADRP C[NH2+]CCOCCNC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001336152530 888706839 /nfs/dbraw/zinc/70/68/39/888706839.db2.gz XPPARYONCZBKCL-UHFFFAOYSA-N 2 0 288.392 -0.628 20 0 CBADRP CN1CCO[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2C)C1 ZINC001336224434 888722088 /nfs/dbraw/zinc/72/20/88/888722088.db2.gz PFIXNYRTZHCPKT-VXGBXAGGSA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC001336552959 888795517 /nfs/dbraw/zinc/79/55/17/888795517.db2.gz DGFREYQRFIPNEV-QJPTWQEYSA-N 2 0 280.372 -0.794 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC001336558531 888795934 /nfs/dbraw/zinc/79/59/34/888795934.db2.gz XOZYZAJELLCYAS-RWMBFGLXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC001336643958 888827582 /nfs/dbraw/zinc/82/75/82/888827582.db2.gz CWPWJZBWDVJTSW-RYUDHWBXSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001336650941 888832676 /nfs/dbraw/zinc/83/26/76/888832676.db2.gz XFTAFGBUZZOBCY-XQHKEYJVSA-N 2 0 296.415 -0.362 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC001336678288 888844279 /nfs/dbraw/zinc/84/42/79/888844279.db2.gz YRVWIUMARMKZIO-RYUDHWBXSA-N 2 0 296.415 -0.489 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1[NH2+]CC12CCOCC2 ZINC001336687177 888846911 /nfs/dbraw/zinc/84/69/11/888846911.db2.gz LMSMVTCLTXIQPY-NWDGAFQWSA-N 2 0 267.373 -0.129 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cnc(C[NH3+])nc1 ZINC001336723600 888855270 /nfs/dbraw/zinc/85/52/70/888855270.db2.gz YEMIHHSARNHAJJ-UWVGGRQHSA-N 2 0 267.308 -0.293 20 0 CBADRP [NH3+]CCOCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001336732055 888860440 /nfs/dbraw/zinc/86/04/40/888860440.db2.gz MRVSLDYYIQZHCR-DTWKUNHWSA-N 2 0 283.294 -0.053 20 0 CBADRP CCCNC(=O)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001336739427 888864181 /nfs/dbraw/zinc/86/41/81/888864181.db2.gz NAMMEBUGOHXVSI-ZDUSSCGKSA-N 2 0 286.420 -0.899 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001336756251 888868171 /nfs/dbraw/zinc/86/81/71/888868171.db2.gz USRZKVUIZSUWTF-GFCCVEGCSA-N 2 0 269.393 -0.715 20 0 CBADRP C[NH+](C)CCCC[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC001336763218 888872165 /nfs/dbraw/zinc/87/21/65/888872165.db2.gz MFOZAMOMIYFQPD-CHWSQXEVSA-N 2 0 260.378 -0.180 20 0 CBADRP C[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@@H]1C[N@H+](C)CCN1C ZINC001336779111 888877930 /nfs/dbraw/zinc/87/79/30/888877930.db2.gz GSVPRZISMCISTH-KKUMJFAQSA-N 2 0 284.448 -0.333 20 0 CBADRP CN(CCC[NH2+]C[C@H](O)C1(O)CCC1)CC[NH+](C)C ZINC001336803048 888888662 /nfs/dbraw/zinc/88/86/62/888888662.db2.gz YLFDNFRXYNNPRG-ZDUSSCGKSA-N 2 0 273.421 -0.265 20 0 CBADRP CO[C@H](C)[C@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001336814767 888889392 /nfs/dbraw/zinc/88/93/92/888889392.db2.gz SOPHPKJIKNFPSP-XQQFMLRXSA-N 2 0 259.394 -0.392 20 0 CBADRP C[C@@H](O)[C@@H](C)[NH2+]CC(=O)NCC[NH+]1CCCCC1 ZINC001336829824 888894151 /nfs/dbraw/zinc/89/41/51/888894151.db2.gz FHBBIKSZRKKYCM-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001336909702 888920260 /nfs/dbraw/zinc/92/02/60/888920260.db2.gz PTJAXEGWOVXELI-BETUJISGSA-N 2 0 283.420 -0.469 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC001336941509 888927884 /nfs/dbraw/zinc/92/78/84/888927884.db2.gz LHHKSXQMXFGJCW-LBPRGKRZSA-N 2 0 269.393 -0.587 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC001336947879 888930352 /nfs/dbraw/zinc/93/03/52/888930352.db2.gz UOSWWMIBFYSVGW-YFKTTZPYSA-N 2 0 252.362 -0.025 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC001336966045 888936842 /nfs/dbraw/zinc/93/68/42/888936842.db2.gz WAZUEZJLHBTWNP-JFGNBEQYSA-N 2 0 282.388 -0.561 20 0 CBADRP [NH3+]CCN(CC(F)(F)F)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC001336995199 888946666 /nfs/dbraw/zinc/94/66/66/888946666.db2.gz KQKAFZUEVVHWBI-LURJTMIESA-N 2 0 268.239 -0.560 20 0 CBADRP C[N@@H+]1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1(C)C ZINC001337015475 888950683 /nfs/dbraw/zinc/95/06/83/888950683.db2.gz DSDXQGQZLWCEQI-GHMZBOCLSA-N 2 0 255.362 -0.097 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC001337037540 888953614 /nfs/dbraw/zinc/95/36/14/888953614.db2.gz SPFFYYUBYGMYIO-NXEZZACHSA-N 2 0 256.350 -0.647 20 0 CBADRP CCN(C(=O)COC1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001337096376 888962601 /nfs/dbraw/zinc/96/26/01/888962601.db2.gz ZNNNOAIUCGZNSO-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC001337357678 888997236 /nfs/dbraw/zinc/99/72/36/888997236.db2.gz PGOHPWISGVIVGW-FRRDWIJNSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001337419678 889005310 /nfs/dbraw/zinc/00/53/10/889005310.db2.gz CVCVBSUXSNXXTB-VWYCJHECSA-N 2 0 280.372 -0.713 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001338321605 889140442 /nfs/dbraw/zinc/14/04/42/889140442.db2.gz JBFDKOSPAVJQHB-HAQNSBGRSA-N 2 0 298.431 -0.114 20 0 CBADRP CO[C@@]1(C)C[C@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001338567223 889176343 /nfs/dbraw/zinc/17/63/43/889176343.db2.gz MYCROEXXRYZDLJ-UPJWGTAASA-N 2 0 257.378 -0.638 20 0 CBADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCNCC[NH2+]CC1 ZINC001338610080 889180615 /nfs/dbraw/zinc/18/06/15/889180615.db2.gz NCVRYUNQYSQSRY-ZDUSSCGKSA-N 2 0 285.436 -0.081 20 0 CBADRP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCNCC[NH2+]CC1 ZINC001338642038 889183761 /nfs/dbraw/zinc/18/37/61/889183761.db2.gz WVSZCGAJJQPJLW-BFHYXJOUSA-N 2 0 295.431 -0.421 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)NC[C@H]1C[NH2+]CCO1)C2 ZINC001338640728 889184417 /nfs/dbraw/zinc/18/44/17/889184417.db2.gz JEGMBAPXUCETCR-WHOHXGKFSA-N 2 0 268.361 -0.504 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC001338642980 889187189 /nfs/dbraw/zinc/18/71/89/889187189.db2.gz DLRRDQXMUYMTEF-LBPRGKRZSA-N 2 0 288.392 -0.758 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC001338767442 889202165 /nfs/dbraw/zinc/20/21/65/889202165.db2.gz VDDUSQPIBSTWEK-GMTAPVOTSA-N 2 0 256.350 -0.517 20 0 CBADRP C[C@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001448585055 913323466 /nfs/dbraw/zinc/32/34/66/913323466.db2.gz BEZPURPFRGTRGI-CMPLNLGQSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC001339708944 889310742 /nfs/dbraw/zinc/31/07/42/889310742.db2.gz JMJYMIIYMNBZGC-UPJWGTAASA-N 2 0 266.389 -0.510 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC001339726611 889315742 /nfs/dbraw/zinc/31/57/42/889315742.db2.gz WSRFRIYKRLONQM-WCQYABFASA-N 2 0 287.404 -0.441 20 0 CBADRP [NH3+]C[C@H]1CCCN(C(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001339845176 889331148 /nfs/dbraw/zinc/33/11/48/889331148.db2.gz JDXOZWLASJPQGL-CYBMUJFWSA-N 2 0 269.389 -0.112 20 0 CBADRP C[C@H](C(=O)Nc1ncccn1)N1CCNCC[NH2+]CC1 ZINC001339931952 889345326 /nfs/dbraw/zinc/34/53/26/889345326.db2.gz HEERRNAYJPJXMH-LLVKDONJSA-N 2 0 278.360 -0.702 20 0 CBADRP [NH3+]CC1(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC(O)C1 ZINC001340044257 889370658 /nfs/dbraw/zinc/37/06/58/889370658.db2.gz ISSFAEBOHDTKTJ-ATJQQHLPSA-N 2 0 267.373 -0.171 20 0 CBADRP C[NH+]1CCC(CCNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001340063473 889376045 /nfs/dbraw/zinc/37/60/45/889376045.db2.gz OKUKCBGCBUNCLY-JSGCOSHPSA-N 2 0 269.389 -0.053 20 0 CBADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CO)[C@@H](C)C1 ZINC001340092317 889382379 /nfs/dbraw/zinc/38/23/79/889382379.db2.gz AELYAQICDSRSEP-YNEHKIRRSA-N 2 0 287.404 -0.441 20 0 CBADRP [NH3+]CCN(Cc1ccccc1)C(=O)C[C@@H](O)C[NH3+] ZINC001340135710 889392242 /nfs/dbraw/zinc/39/22/42/889392242.db2.gz WHJGXRYGZDJLDL-GFCCVEGCSA-N 2 0 251.330 -0.316 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)N2CCO[C@@H](C[NH3+])C2)n1 ZINC001340135069 889393246 /nfs/dbraw/zinc/39/32/46/889393246.db2.gz SOVBPNLTMAPMJN-JTQLQIEISA-N 2 0 267.333 -0.968 20 0 CBADRP CCCN(CC[NH+](C)C)C(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001340646769 889460294 /nfs/dbraw/zinc/46/02/94/889460294.db2.gz ABVJRMUBUPZTPE-WCQYABFASA-N 2 0 257.378 -0.101 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)CNCC[NH3+])C1 ZINC001340189216 889404322 /nfs/dbraw/zinc/40/43/22/889404322.db2.gz AFEKFAWTNIWRDB-GFCCVEGCSA-N 2 0 256.394 -0.229 20 0 CBADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001340206042 889407884 /nfs/dbraw/zinc/40/78/84/889407884.db2.gz OIHNPQMOUODMBI-LBPRGKRZSA-N 2 0 284.404 -0.360 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC001340281709 889416699 /nfs/dbraw/zinc/41/66/99/889416699.db2.gz HXCXIXUNLHSDQW-NEPJUHHUSA-N 2 0 254.378 -0.523 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC001340266268 889416901 /nfs/dbraw/zinc/41/69/01/889416901.db2.gz MJSFYSPTOJZQNW-NTZNESFSSA-N 2 0 257.378 -0.291 20 0 CBADRP C[C@@]1(CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CCC[NH2+]C1 ZINC001340266658 889417789 /nfs/dbraw/zinc/41/77/89/889417789.db2.gz OQDZRICOFHFXNN-IUODEOHRSA-N 2 0 296.415 -0.310 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1=O ZINC001340301328 889419212 /nfs/dbraw/zinc/41/92/12/889419212.db2.gz WDBYLBUURYDDIX-AVGNSLFASA-N 2 0 294.399 -0.606 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)CCCO1 ZINC001340347778 889425415 /nfs/dbraw/zinc/42/54/15/889425415.db2.gz YPOSTOPRUNNVEL-MDZLAQPJSA-N 2 0 253.346 -0.295 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[C@H](O)C[NH3+])C1 ZINC001340356380 889426014 /nfs/dbraw/zinc/42/60/14/889426014.db2.gz BYZSYECQVYPAFD-GRYCIOLGSA-N 2 0 255.362 -0.361 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001340477852 889436186 /nfs/dbraw/zinc/43/61/86/889436186.db2.gz RCCQXWDGFWQZLN-OPRDCNLKSA-N 2 0 257.334 -0.524 20 0 CBADRP [NH3+][C@H](CNC(=O)[C@H]1[NH2+]CC12CCOCC2)C1CC1 ZINC001340528977 889442270 /nfs/dbraw/zinc/44/22/70/889442270.db2.gz IJOLJAFTOYSEOY-GHMZBOCLSA-N 2 0 253.346 -0.392 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC001340542211 889444776 /nfs/dbraw/zinc/44/47/76/889444776.db2.gz VYFPNNABAVELFG-YPMHNXCESA-N 2 0 287.404 -0.570 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001340572394 889447915 /nfs/dbraw/zinc/44/79/15/889447915.db2.gz JWUATJSGBJQIIQ-XQQFMLRXSA-N 2 0 296.415 -0.360 20 0 CBADRP O=C(NCC1(O)C[NH2+]C1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC001340594479 889451855 /nfs/dbraw/zinc/45/18/55/889451855.db2.gz KRFYUHQBRMSCKA-GFCCVEGCSA-N 2 0 261.325 -0.676 20 0 CBADRP O=C(N[C@H]1COC2(C[NH2+]C2)C1)[C@H]1C[NH2+]CCC1(F)F ZINC001340617978 889457779 /nfs/dbraw/zinc/45/77/79/889457779.db2.gz ZTNFUPYBCDVDPH-RKDXNWHRSA-N 2 0 275.299 -0.522 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC001340652991 889459503 /nfs/dbraw/zinc/45/95/03/889459503.db2.gz QAIDMGSOXWPMAX-VXGBXAGGSA-N 2 0 266.389 -0.319 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001340674592 889465635 /nfs/dbraw/zinc/46/56/35/889465635.db2.gz NAUJFLCOXSDSTB-CYBMUJFWSA-N 2 0 284.404 -0.883 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001340704538 889471084 /nfs/dbraw/zinc/47/10/84/889471084.db2.gz LEMLZILLRSDWQW-SRRSOLGSSA-N 2 0 255.362 -0.444 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001340725310 889473484 /nfs/dbraw/zinc/47/34/84/889473484.db2.gz DPTJATQZEWBKFM-TUAOUCFPSA-N 2 0 255.362 -0.443 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001340737831 889476173 /nfs/dbraw/zinc/47/61/73/889476173.db2.gz BZCUUPJVSJHDDY-GARJFASQSA-N 2 0 253.346 -0.249 20 0 CBADRP [NH3+]Cc1cc(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)ccn1 ZINC001340735988 889477261 /nfs/dbraw/zinc/47/72/61/889477261.db2.gz RBZPWNWDTLSRFD-LLVKDONJSA-N 2 0 262.313 -0.599 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001340749197 889478718 /nfs/dbraw/zinc/47/87/18/889478718.db2.gz RZSYSCCYMPCPKM-IVZWLZJFSA-N 2 0 252.318 -0.448 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH3+])CC(O)C1 ZINC001340773765 889484774 /nfs/dbraw/zinc/48/47/74/889484774.db2.gz KGDIPUXZXVZJRD-XSRFYTQQSA-N 2 0 255.362 -0.313 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001340820317 889489222 /nfs/dbraw/zinc/48/92/22/889489222.db2.gz CTVAWQOCHMGHMV-SCRDCRAPSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H](CNC(=O)CNCC[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC001340807079 889489670 /nfs/dbraw/zinc/48/96/70/889489670.db2.gz GGCOTDJDROAWBY-RYUDHWBXSA-N 2 0 256.394 -0.086 20 0 CBADRP C[C@H](CNC(=O)CNCC[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC001340807078 889490348 /nfs/dbraw/zinc/49/03/48/889490348.db2.gz GGCOTDJDROAWBY-NWDGAFQWSA-N 2 0 256.394 -0.086 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@H](O)C[NH2+]1 ZINC001340807113 889490363 /nfs/dbraw/zinc/49/03/63/889490363.db2.gz HHQVVQIDADSSSB-SCDSUCTJSA-N 2 0 267.373 -0.300 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001340820310 889490484 /nfs/dbraw/zinc/49/04/84/889490484.db2.gz CTVAWQOCHMGHMV-OBJOEFQTSA-N 2 0 269.389 -0.101 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC001340837713 889494528 /nfs/dbraw/zinc/49/45/28/889494528.db2.gz BRHXKWLXFNUAPH-RYUDHWBXSA-N 2 0 255.362 -0.217 20 0 CBADRP O=C([C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCC[C@H]([NH2+]CCO)C1 ZINC001340846319 889497363 /nfs/dbraw/zinc/49/73/63/889497363.db2.gz CRDXYBZZYQYOOS-WUHRBBMRSA-N 2 0 267.373 -0.300 20 0 CBADRP CC(C)[N@H+](C)CCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001340847155 889497793 /nfs/dbraw/zinc/49/77/93/889497793.db2.gz XRWZAWHCTVHABG-ZDUSSCGKSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001340868095 889501052 /nfs/dbraw/zinc/50/10/52/889501052.db2.gz SGJPOUWKSVLRRP-FRRDWIJNSA-N 2 0 269.389 -0.053 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001340880912 889504607 /nfs/dbraw/zinc/50/46/07/889504607.db2.gz QETMTUVESLVSSE-NEPJUHHUSA-N 2 0 255.362 -0.360 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C[C@H](O)C[NH3+] ZINC001340880365 889504620 /nfs/dbraw/zinc/50/46/20/889504620.db2.gz MNLXZBINZFICMP-WDEREUQCSA-N 2 0 261.366 -0.831 20 0 CBADRP CC[C@H](CO)[NH2+]CC1(C[NH2+][C@@H](CC)CO)COC1 ZINC001340884708 889506509 /nfs/dbraw/zinc/50/65/09/889506509.db2.gz HSYKPECUPOPYPH-TXEJJXNPSA-N 2 0 260.378 -0.276 20 0 CBADRP C[NH+](C)C1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001340892429 889507686 /nfs/dbraw/zinc/50/76/86/889507686.db2.gz GKEMFKOACHFQOA-DGCLKSJQSA-N 2 0 255.362 -0.348 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001340905659 889510859 /nfs/dbraw/zinc/51/08/59/889510859.db2.gz VPCZOZWZITWJKF-BLFANLJRSA-N 2 0 253.346 -0.806 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC001340917158 889513279 /nfs/dbraw/zinc/51/32/79/889513279.db2.gz XWAAYEANQAGFTR-QJPTWQEYSA-N 2 0 257.378 -0.341 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC1=CC[NH2+]CC1 ZINC001340908187 889514300 /nfs/dbraw/zinc/51/43/00/889514300.db2.gz QLMHZCCFXHQQAG-SNVBAGLBSA-N 2 0 255.318 -0.697 20 0 CBADRP C[NH2+]CCCCC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001340932356 889516141 /nfs/dbraw/zinc/51/61/41/889516141.db2.gz WMKABKYWXYKOEY-CYBMUJFWSA-N 2 0 268.405 -0.118 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001340924004 889517246 /nfs/dbraw/zinc/51/72/46/889517246.db2.gz URIOUKJMWDBWCZ-ZWNOBZJWSA-N 2 0 268.361 -0.001 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001340935683 889517283 /nfs/dbraw/zinc/51/72/83/889517283.db2.gz HTCPJBFFDOVJRY-CABZTGNLSA-N 2 0 254.334 -0.262 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC001340935949 889517431 /nfs/dbraw/zinc/51/74/31/889517431.db2.gz LFVLPVQCSSAWJE-ZJUUUORDSA-N 2 0 269.345 -0.475 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC001340942214 889518812 /nfs/dbraw/zinc/51/88/12/889518812.db2.gz BKKFVUJKRWPACY-NKWVEPMBSA-N 2 0 251.277 -0.802 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)C2CC[NH2+]CC2)CC1 ZINC001340943261 889518838 /nfs/dbraw/zinc/51/88/38/889518838.db2.gz RAMLBQZDVSYJGQ-UHFFFAOYSA-N 2 0 254.378 -0.475 20 0 CBADRP COCC[NH2+]CC(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC001340947358 889518984 /nfs/dbraw/zinc/51/89/84/889518984.db2.gz UCRDFEUPJSHRKA-UHFFFAOYSA-N 2 0 266.345 0.000 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001340941972 889520043 /nfs/dbraw/zinc/52/00/43/889520043.db2.gz HESHKDMXGYZHCV-QYNIQEEDSA-N 2 0 255.240 -0.692 20 0 CBADRP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001341003325 889528807 /nfs/dbraw/zinc/52/88/07/889528807.db2.gz KFMWJNJZIJUBCY-YNEHKIRRSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC001341025887 889532768 /nfs/dbraw/zinc/53/27/68/889532768.db2.gz PSUDHMGOAWCJBU-UTUOFQBUSA-N 2 0 255.362 -0.273 20 0 CBADRP CCO[C@H](CNC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21)C[NH+](C)C ZINC001341057092 889538837 /nfs/dbraw/zinc/53/88/37/889538837.db2.gz IJERYHWVLGEYAS-NDBYEHHHSA-N 2 0 269.389 -0.075 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001341063775 889539790 /nfs/dbraw/zinc/53/97/90/889539790.db2.gz LVUHGQIAPHZMBT-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC001341098376 889542822 /nfs/dbraw/zinc/54/28/22/889542822.db2.gz SJMVTYIXEZDVQI-RYUDHWBXSA-N 2 0 254.378 -0.476 20 0 CBADRP COC[C@@]1(C(=O)N2CCNCC[NH2+]CC2)CCCC[NH2+]1 ZINC001341100520 889544222 /nfs/dbraw/zinc/54/42/22/889544222.db2.gz XKMIEMYFBXHUQA-CQSZACIVSA-N 2 0 284.404 -0.834 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001341115426 889544932 /nfs/dbraw/zinc/54/49/32/889544932.db2.gz FOICNFQVEBGJCJ-ZWNOBZJWSA-N 2 0 255.362 -0.313 20 0 CBADRP [NH3+]CCNCC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC001341129641 889548425 /nfs/dbraw/zinc/54/84/25/889548425.db2.gz YVCQAWWGEHIHPU-UHFFFAOYSA-N 2 0 280.416 -0.196 20 0 CBADRP CCO[C@H](CNC(=O)[C@]1(F)CC[NH2+]C1)C[NH+](C)C ZINC001341171566 889553618 /nfs/dbraw/zinc/55/36/18/889553618.db2.gz DAEPXZZZIUWPTR-PWSUYJOCSA-N 2 0 261.341 -0.229 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001341206133 889556535 /nfs/dbraw/zinc/55/65/35/889556535.db2.gz LHZBFNPQMOTRGJ-WDEREUQCSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC[C@H]1C[NH3+] ZINC001341250626 889565712 /nfs/dbraw/zinc/56/57/12/889565712.db2.gz NEUKFOWAOACIAG-KXNHARMFSA-N 2 0 255.362 -0.207 20 0 CBADRP O=C(NCCC[NH2+]C1CC1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341281541 889568960 /nfs/dbraw/zinc/56/89/60/889568960.db2.gz TZCCDRVHGAXDDB-JTQLQIEISA-N 2 0 280.372 -0.935 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])=NO1 ZINC001341336022 889576877 /nfs/dbraw/zinc/57/68/77/889576877.db2.gz QKDISJYSMZDISC-NRUUGDAUSA-N 2 0 266.345 -0.180 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001341338748 889577159 /nfs/dbraw/zinc/57/71/59/889577159.db2.gz IEMWYULHVDNUGG-ZDUSSCGKSA-N 2 0 255.362 -0.033 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC001341346695 889579467 /nfs/dbraw/zinc/57/94/67/889579467.db2.gz ITURAATXNFNMJH-GHMZBOCLSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH2+]C1CC1 ZINC001341354088 889580859 /nfs/dbraw/zinc/58/08/59/889580859.db2.gz PTLKCUUZEBZEMY-PWSUYJOCSA-N 2 0 252.362 -0.757 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]2[NH2+]CC23CCOCC3)C1 ZINC001341405704 889592631 /nfs/dbraw/zinc/59/26/31/889592631.db2.gz WHYAALBSJMUMJX-IJLUTSLNSA-N 2 0 267.373 -0.001 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC001341467494 889600928 /nfs/dbraw/zinc/60/09/28/889600928.db2.gz IDHBPKDUVZUEHF-CMPLNLGQSA-N 2 0 259.325 -0.475 20 0 CBADRP COC1(C(=O)N[C@H]2C[NH2+]CC2(C)C)CC[NH2+]CC1 ZINC001341463862 889601615 /nfs/dbraw/zinc/60/16/15/889601615.db2.gz BRNPBDAWFOAMRM-JTQLQIEISA-N 2 0 255.362 -0.131 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001341477470 889603739 /nfs/dbraw/zinc/60/37/39/889603739.db2.gz NSQDURLDZSRJDJ-MNOVXSKESA-N 2 0 255.362 -0.443 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001341477763 889606009 /nfs/dbraw/zinc/60/60/09/889606009.db2.gz RNQMAYDELNOTIF-AZPLCNIUSA-N 2 0 281.400 -0.029 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)c1oc(C[NH3+])cc1C ZINC001341492498 889606630 /nfs/dbraw/zinc/60/66/30/889606630.db2.gz KKKRAJADNITPEU-SECBINFHSA-N 2 0 255.318 -0.301 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001341477765 889607164 /nfs/dbraw/zinc/60/71/64/889607164.db2.gz RNQMAYDELNOTIF-WSUFCMERSA-N 2 0 281.400 -0.029 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]1)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001341513075 889611475 /nfs/dbraw/zinc/61/14/75/889611475.db2.gz BLWFKTLGVNGINL-BXKDBHETSA-N 2 0 252.318 -0.876 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001341525129 889615056 /nfs/dbraw/zinc/61/50/56/889615056.db2.gz JANBOSIRNDSNBJ-QPUJVOFHSA-N 2 0 252.318 -0.878 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001341717262 889652800 /nfs/dbraw/zinc/65/28/00/889652800.db2.gz OVFWAIWRWTZASH-YPMHNXCESA-N 2 0 257.378 -0.053 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001341571261 889622758 /nfs/dbraw/zinc/62/27/58/889622758.db2.gz OAOSOHCJFMUQFF-OCCSQVGLSA-N 2 0 269.389 -0.051 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC001341574312 889625892 /nfs/dbraw/zinc/62/58/92/889625892.db2.gz RACOLVCTGQLJSV-MNOVXSKESA-N 2 0 255.362 -0.179 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)[C@@H](O)C[NH2+]C ZINC001341642737 889639317 /nfs/dbraw/zinc/63/93/17/889639317.db2.gz KMUFAZXDKWMFGN-TUAOUCFPSA-N 2 0 257.378 -0.197 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[NH+](C(C)C)CC1 ZINC001341643717 889639496 /nfs/dbraw/zinc/63/94/96/889639496.db2.gz CZJIQUAOAODQHA-NEPJUHHUSA-N 2 0 257.378 -0.245 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[NH+](C(C)C)CC1 ZINC001341643719 889640118 /nfs/dbraw/zinc/64/01/18/889640118.db2.gz CZJIQUAOAODQHA-RYUDHWBXSA-N 2 0 257.378 -0.245 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)[C@H](O)C[NH2+]C ZINC001341642736 889640310 /nfs/dbraw/zinc/64/03/10/889640310.db2.gz KMUFAZXDKWMFGN-QJPTWQEYSA-N 2 0 257.378 -0.197 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)C[NH+](C)C)C2 ZINC001341664978 889641861 /nfs/dbraw/zinc/64/18/61/889641861.db2.gz YDNLFJDVGRNURG-CWSCBRNRSA-N 2 0 269.345 -0.713 20 0 CBADRP [NH3+][C@@H]1C[C@H](NC(=O)C[C@@]2(O)CCC[NH2+]C2)C12CCC2 ZINC001341656795 889642038 /nfs/dbraw/zinc/64/20/38/889642038.db2.gz YPCHJZFTIGKURB-MDZLAQPJSA-N 2 0 267.373 -0.123 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1)C1CC1 ZINC001341658066 889643005 /nfs/dbraw/zinc/64/30/05/889643005.db2.gz DGUFCUKDGPUEQD-LOWVWBTDSA-N 2 0 255.362 -0.444 20 0 CBADRP CC(C)[C@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[NH2+]1 ZINC001341659621 889643059 /nfs/dbraw/zinc/64/30/59/889643059.db2.gz OMGQTHQBOYCXEV-CHWSQXEVSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@]1(C[NH3+])CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001341666263 889644981 /nfs/dbraw/zinc/64/49/81/889644981.db2.gz SBFFMGBRMJRIGD-QWHCGFSZSA-N 2 0 255.362 -0.312 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001341672225 889645082 /nfs/dbraw/zinc/64/50/82/889645082.db2.gz BQFDFTJPWKLWAE-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)NCCC[C@H]2CCC[NH2+]2)C1=O ZINC001341688790 889648772 /nfs/dbraw/zinc/64/87/72/889648772.db2.gz LRVFJFIIORDGOZ-OLZOCXBDSA-N 2 0 296.415 -0.168 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001341717260 889652476 /nfs/dbraw/zinc/65/24/76/889652476.db2.gz OVFWAIWRWTZASH-DGCLKSJQSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C[N@@H+]1C1CC1 ZINC001341731088 889654005 /nfs/dbraw/zinc/65/40/05/889654005.db2.gz BDIMJTUIASIKJW-JCRCQARHSA-N 2 0 267.373 -0.159 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C1=CCC[NH2+]CC1 ZINC001341732601 889654837 /nfs/dbraw/zinc/65/48/37/889654837.db2.gz LRHZJADZMQVNQF-ZDUSSCGKSA-N 2 0 266.389 -0.342 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCC([NH+](C)C)CC1 ZINC001341733377 889654860 /nfs/dbraw/zinc/65/48/60/889654860.db2.gz OQAQJIJSZRCEMO-ZYHUDNBSSA-N 2 0 257.378 -0.245 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)C1 ZINC001341748902 889657105 /nfs/dbraw/zinc/65/71/05/889657105.db2.gz UIZQHCPZHABKMC-YVECIDJPSA-N 2 0 266.389 -0.430 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001341747098 889657443 /nfs/dbraw/zinc/65/74/43/889657443.db2.gz DSTJJICIYSTAMS-DGCLKSJQSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[C@H]1CN(C(=O)C2(C[NH3+])CC(O)C2)CC[C@H]1[NH3+] ZINC001341769088 889659826 /nfs/dbraw/zinc/65/98/26/889659826.db2.gz ZNNVTMVYDLIEQK-MSLYCWSTSA-N 2 0 255.362 -0.328 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC[NH2+]1 ZINC001341769632 889661287 /nfs/dbraw/zinc/66/12/87/889661287.db2.gz XVRSWOYDVMLPOU-OPDFLTKYSA-N 2 0 267.373 -0.131 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001341797862 889666091 /nfs/dbraw/zinc/66/60/91/889666091.db2.gz NZGFQAWNUFBROC-SDDRHHMPSA-N 2 0 269.389 -0.067 20 0 CBADRP [NH3+][C@@H]1C[C@H](C(=O)NC[C@H]2C[NH2+]CCCO2)[C@H]2C[C@H]21 ZINC001341796998 889666499 /nfs/dbraw/zinc/66/64/99/889666499.db2.gz MJNKRKCNNSNKGG-CSYMLDBXSA-N 2 0 253.346 -0.536 20 0 CBADRP C[C@H](C[NH3+])C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001341823755 889668527 /nfs/dbraw/zinc/66/85/27/889668527.db2.gz RIPQSWZJVHJUMY-GFCCVEGCSA-N 2 0 256.394 -0.227 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001341839840 889670875 /nfs/dbraw/zinc/67/08/75/889670875.db2.gz TYHKUPNEBIKDJS-QWRGUYRKSA-N 2 0 255.362 -0.062 20 0 CBADRP C[NH+]1CCC(C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001341839102 889671810 /nfs/dbraw/zinc/67/18/10/889671810.db2.gz LLOCMYWHRHLHAQ-UHFFFAOYSA-N 2 0 254.378 -0.650 20 0 CBADRP [NH3+]CC1(C(=O)N2CCNCC[NH2+]CC2)CCCC1 ZINC001341852450 889673281 /nfs/dbraw/zinc/67/32/81/889673281.db2.gz JAVVYPMGUYXPSO-UHFFFAOYSA-N 2 0 254.378 -0.473 20 0 CBADRP [NH3+][C@H](CO)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC001341846499 889673630 /nfs/dbraw/zinc/67/36/30/889673630.db2.gz VYZBHALSLZCYLE-MVWJERBFSA-N 2 0 267.304 -0.602 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCN2C)CC[C@H]1C[NH3+] ZINC001341878778 889679034 /nfs/dbraw/zinc/67/90/34/889679034.db2.gz QOVUTPXKDXHXSF-WOPDTQHZSA-N 2 0 254.378 -0.667 20 0 CBADRP [NH3+]CC1(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)CC(O)C1 ZINC001341894432 889679266 /nfs/dbraw/zinc/67/92/66/889679266.db2.gz RPUJNBSYXXOQBE-ZBOXLXRLSA-N 2 0 267.373 -0.123 20 0 CBADRP C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)[C@@H]1C[N@H+](C)CCN1C ZINC001341940623 889686174 /nfs/dbraw/zinc/68/61/74/889686174.db2.gz OBQLAUZNPILTOB-UTUOFQBUSA-N 2 0 254.378 -0.511 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC001341942741 889686936 /nfs/dbraw/zinc/68/69/36/889686936.db2.gz IPCANSJVYYTQNI-RAIGVLPGSA-N 2 0 266.389 -0.430 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001341960028 889689737 /nfs/dbraw/zinc/68/97/37/889689737.db2.gz YEHABNRGMPCICI-UTUOFQBUSA-N 2 0 255.362 -0.192 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001342050449 889705424 /nfs/dbraw/zinc/70/54/24/889705424.db2.gz MCGPLPRUTBWRHY-UHFFFAOYSA-N 2 0 285.388 -0.687 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)N[C@H]1C[NH2+]CC12CC2 ZINC001342097490 889711951 /nfs/dbraw/zinc/71/19/51/889711951.db2.gz FOKKOLBVOQPLNK-QWRGUYRKSA-N 2 0 253.346 -0.377 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@]3(C)C[C@H](O)C[NH2+]3)[C@@H]2C1 ZINC001342147299 889719432 /nfs/dbraw/zinc/71/94/32/889719432.db2.gz KLPSHCPAYNFIQU-HNRZYHPDSA-N 2 0 267.373 -0.444 20 0 CBADRP CN1CCN(C(=O)CC2(C[NH3+])CC2)CC[N@H+](C)CC1 ZINC001342155959 889722562 /nfs/dbraw/zinc/72/25/62/889722562.db2.gz LUTCOLKCDKSFRP-UHFFFAOYSA-N 2 0 268.405 -0.179 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1=O ZINC001342176619 889727025 /nfs/dbraw/zinc/72/70/25/889727025.db2.gz SKBANQOMFPKOEG-GMTAPVOTSA-N 2 0 286.351 -0.919 20 0 CBADRP CC(C)C[NH2+]CC(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001342246424 889738071 /nfs/dbraw/zinc/73/80/71/889738071.db2.gz BVRODFLIOUEXJX-LBPRGKRZSA-N 2 0 257.378 -0.195 20 0 CBADRP O=C(C1=CCC[NH2+]CC1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001342250293 889738830 /nfs/dbraw/zinc/73/88/30/889738830.db2.gz OQIQFCHQCSEESJ-ZDUSSCGKSA-N 2 0 267.373 -0.131 20 0 CBADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)N[C@H]1C[NH2+]C[C@H]1O ZINC001342269221 889743794 /nfs/dbraw/zinc/74/37/94/889743794.db2.gz HFEAWPUWRQUOSF-FRRDWIJNSA-N 2 0 261.325 -0.330 20 0 CBADRP [NH3+][C@@H](CC(=O)N1NC(=O)C[C@]12CC[NH2+]C2)C1CC1 ZINC001342291845 889749335 /nfs/dbraw/zinc/74/93/35/889749335.db2.gz SPJSHILQRPRBII-CABZTGNLSA-N 2 0 252.318 -0.891 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@H]1[NH2+]CC12CCCC2 ZINC001342301405 889749992 /nfs/dbraw/zinc/74/99/92/889749992.db2.gz JOKVFWFXZZMUNP-LLVKDONJSA-N 2 0 255.362 -0.129 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC001342299209 889750630 /nfs/dbraw/zinc/75/06/30/889750630.db2.gz ZWDNAHQOZOXSJU-QJPTWQEYSA-N 2 0 255.362 -0.049 20 0 CBADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C1(C[NH3+])CC(O)C1 ZINC001342347805 889756440 /nfs/dbraw/zinc/75/64/40/889756440.db2.gz KBONWDNGRMQSIX-CBKZZEEASA-N 2 0 267.373 -0.219 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H](N)CC[NH+](C)C)C[C@H]1CC[NH3+] ZINC001342523489 889790673 /nfs/dbraw/zinc/79/06/73/889790673.db2.gz MJZMRMDSMOTQLS-UTUOFQBUSA-N 2 0 256.394 -0.291 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC001342373716 889765656 /nfs/dbraw/zinc/76/56/56/889765656.db2.gz IMOSHXUIWRLVCZ-VXGBXAGGSA-N 2 0 268.405 -0.216 20 0 CBADRP C[C@@H](NC(=O)[C@]1(C)C[C@H](O)C[NH2+]1)C1CC[NH2+]CC1 ZINC001342391762 889768322 /nfs/dbraw/zinc/76/83/22/889768322.db2.gz JSXMAAHADLBXKE-CDMKHQONSA-N 2 0 255.362 -0.396 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001342393070 889768513 /nfs/dbraw/zinc/76/85/13/889768513.db2.gz SGBJAHUIZMLJJE-NNYUYHANSA-N 2 0 252.362 -0.772 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H](N)CC[NH+](C)C)CC[C@@H]1C[NH3+] ZINC001342737755 889823485 /nfs/dbraw/zinc/82/34/85/889823485.db2.gz DQMSZDOEKYGDAI-UTUOFQBUSA-N 2 0 256.394 -0.291 20 0 CBADRP C[C@]1(C(=O)N2CCC(OC3C[NH2+]C3)CC2)CC[NH2+]C1 ZINC001342491333 889783889 /nfs/dbraw/zinc/78/38/89/889783889.db2.gz QFSXGSQXGRFNAO-AWEZNQCLSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC001342554510 889791728 /nfs/dbraw/zinc/79/17/28/889791728.db2.gz MBYRUGYQPBNQGU-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP CC1(C)CN(C(=O)C[C@]2(O)CCC[NH2+]C2)C[C@H]1[NH3+] ZINC001342570784 889795701 /nfs/dbraw/zinc/79/57/01/889795701.db2.gz ABZXTRQEYWZKRB-ZWNOBZJWSA-N 2 0 255.362 -0.313 20 0 CBADRP O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC001342620933 889800742 /nfs/dbraw/zinc/80/07/42/889800742.db2.gz DIDRSSOYDRMYNG-DHCBQETCSA-N 2 0 266.389 -0.436 20 0 CBADRP C[NH2+][C@@H](CNC(=O)[C@H]([NH3+])CO)Cc1ccccc1 ZINC001342630843 889804216 /nfs/dbraw/zinc/80/42/16/889804216.db2.gz VLIWAGCESAENCR-VXGBXAGGSA-N 2 0 251.330 -0.747 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)nn1 ZINC001342664172 889813099 /nfs/dbraw/zinc/81/30/99/889813099.db2.gz LNCUNNSTEDLWHH-NWDGAFQWSA-N 2 0 292.387 -0.302 20 0 CBADRP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCNCC[NH2+]CC2)C1(C)C ZINC001342705168 889818744 /nfs/dbraw/zinc/81/87/44/889818744.db2.gz ROTLBOKYTYCAPH-WFASDCNBSA-N 2 0 298.431 -0.460 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@]2(O)CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC001342758068 889823550 /nfs/dbraw/zinc/82/35/50/889823550.db2.gz UHGHIKNJHNOOKO-NQBHXWOUSA-N 2 0 255.362 -0.456 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NCC2([NH3+])CC2)cn1 ZINC001342814566 889832345 /nfs/dbraw/zinc/83/23/45/889832345.db2.gz HCLNGZXHEVIHFQ-UHFFFAOYSA-N 2 0 251.334 -0.334 20 0 CBADRP C[S@@](=O)C1(C(=O)N[C@H]2C[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC001342830172 889833657 /nfs/dbraw/zinc/83/36/57/889833657.db2.gz KADZDZJCTYLYEX-CGMALJKESA-N 2 0 259.375 -0.907 20 0 CBADRP [NH3+]CCn1cc(C(=O)NC[C@H]2CCC[NH2+]CC2)nn1 ZINC001342857245 889836213 /nfs/dbraw/zinc/83/62/13/889836213.db2.gz INODYXWODVCDJU-JTQLQIEISA-N 2 0 266.349 -0.644 20 0 CBADRP C[C@@H](C(=O)N1CCN(C)CC[N@H+](C)CC1)[C@H](C)[NH3+] ZINC001342915349 889845248 /nfs/dbraw/zinc/84/52/48/889845248.db2.gz WOXGTJHVMZLJDX-NEPJUHHUSA-N 2 0 256.394 -0.325 20 0 CBADRP CN1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC[N@H+](C)CC1 ZINC001343026780 889857963 /nfs/dbraw/zinc/85/79/63/889857963.db2.gz WVZMEPOGJAHLBK-CYBMUJFWSA-N 2 0 284.404 -0.929 20 0 CBADRP CN1CCN(C(=O)COC2CC[NH2+]CC2)CC[N@H+](C)CC1 ZINC001343026744 889858046 /nfs/dbraw/zinc/85/80/46/889858046.db2.gz WNYTYAFYCOYKTO-UHFFFAOYSA-N 2 0 298.431 -0.539 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001343069880 889865469 /nfs/dbraw/zinc/86/54/69/889865469.db2.gz GVBHLPVYXPHVLV-WISYIIOYSA-N 2 0 253.346 -0.236 20 0 CBADRP C[N@H+](CCCNC(=O)[C@H]([NH3+])CO)Cc1ccccc1 ZINC001343357392 889893196 /nfs/dbraw/zinc/89/31/96/889893196.db2.gz WRUYUZWHHFWHBI-CYBMUJFWSA-N 2 0 265.357 -0.056 20 0 CBADRP COc1cccc([C@@H](CNC(=O)CNCC[NH3+])[NH+](C)C)c1 ZINC001343354766 889894550 /nfs/dbraw/zinc/89/45/50/889894550.db2.gz UCVQEUKNHXDAJB-CQSZACIVSA-N 2 0 294.399 -0.038 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001343372595 889895308 /nfs/dbraw/zinc/89/53/08/889895308.db2.gz VLTGDMMBHZRFBN-CYBMUJFWSA-N 2 0 296.415 -0.264 20 0 CBADRP [NH3+]CC1(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC(O)C1 ZINC001343392687 889898401 /nfs/dbraw/zinc/89/84/01/889898401.db2.gz RMRQNHPTLGCLQT-PZFKGIAWSA-N 2 0 267.373 -0.171 20 0 CBADRP [NH3+]CC1(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC(O)C1 ZINC001343392688 889899718 /nfs/dbraw/zinc/89/97/18/889899718.db2.gz RMRQNHPTLGCLQT-QSZRKCJJSA-N 2 0 267.373 -0.171 20 0 CBADRP C[N@@H+]1CCC[C@@H](CNC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001343407694 889901992 /nfs/dbraw/zinc/90/19/92/889901992.db2.gz JNIKFMHYSOITMC-ZBOXLXRLSA-N 2 0 255.362 -0.456 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCC1CC[NH+](C)CC1 ZINC001343407845 889902650 /nfs/dbraw/zinc/90/26/50/889902650.db2.gz NUMXAMSLLYCKMH-CMPLNLGQSA-N 2 0 257.378 -0.339 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001343438469 889908546 /nfs/dbraw/zinc/90/85/46/889908546.db2.gz FZONOHYPXSMXNR-CQSZACIVSA-N 2 0 287.404 -0.425 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC001343460389 889912881 /nfs/dbraw/zinc/91/28/81/889912881.db2.gz ZMRKCJLAOKSGFR-OPRDCNLKSA-N 2 0 257.334 -0.537 20 0 CBADRP [NH3+][C@H](CNC(=O)C1=NOC2(C1)CC[NH2+]CC2)C1CC1 ZINC001343457200 889914092 /nfs/dbraw/zinc/91/40/92/889914092.db2.gz AHOPJGOYOQOOAX-SNVBAGLBSA-N 2 0 266.345 -0.262 20 0 CBADRP C[C@@]1(CNC(=O)C[C@]2(O)CCC[NH2+]C2)CCC[NH2+]C1 ZINC001343469498 889915325 /nfs/dbraw/zinc/91/53/25/889915325.db2.gz ZQILZOLMMYBVQK-ZIAGYGMSSA-N 2 0 269.389 -0.003 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC001343474682 889915944 /nfs/dbraw/zinc/91/59/44/889915944.db2.gz XLVFXGKPVHQWRV-YVECIDJPSA-N 2 0 267.373 -0.219 20 0 CBADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001343506654 889924940 /nfs/dbraw/zinc/92/49/40/889924940.db2.gz RYKDRPPRCLTTQD-VXGBXAGGSA-N 2 0 296.415 -0.312 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)NCCC2CC[NH2+]CC2)C1=O ZINC001343932376 889982146 /nfs/dbraw/zinc/98/21/46/889982146.db2.gz HVRVMZDQAVNVHH-ZDUSSCGKSA-N 2 0 296.415 -0.310 20 0 CBADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001344010861 889991037 /nfs/dbraw/zinc/99/10/37/889991037.db2.gz GOKJZBIZLOAQDD-QSKOYVBTSA-N 2 0 265.357 -0.211 20 0 CBADRP [NH3+]C[C@H](O)CNC(=O)CCCCC1CC[NH2+]CC1 ZINC001344043269 889996294 /nfs/dbraw/zinc/99/62/94/889996294.db2.gz CBHASHONQAQRCI-LBPRGKRZSA-N 2 0 257.378 -0.018 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)C1(C2CC[NH2+]CC2)CC1 ZINC001344081518 890000632 /nfs/dbraw/zinc/00/06/32/890000632.db2.gz MAMVCGWMROVUIP-WDEREUQCSA-N 2 0 253.346 -0.785 20 0 CBADRP [NH3+][C@H](CC(F)F)C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001344375015 890018432 /nfs/dbraw/zinc/01/84/32/890018432.db2.gz QLQYXERSPPFUKX-RKDXNWHRSA-N 2 0 265.304 -0.458 20 0 CBADRP CC[C@]1(C(=O)N2CCC[C@H]([NH2+]CCO)C2)CC[NH2+]C1 ZINC001344373743 890020658 /nfs/dbraw/zinc/02/06/58/890020658.db2.gz IVXSSNREMKVAJZ-JSGCOSHPSA-N 2 0 269.389 -0.051 20 0 CBADRP O=C(N1C[C@@H]2C[C@H]1C[NH2+]2)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001344411953 890021784 /nfs/dbraw/zinc/02/17/84/890021784.db2.gz ZACCDMOIKZSTFG-BLFANLJRSA-N 2 0 251.330 -0.815 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(C)C[C@@H](O)C[NH2+]3)CC[C@@H]21 ZINC001344460026 890029672 /nfs/dbraw/zinc/02/96/72/890029672.db2.gz BVKITMCTXIXWDR-NMKXLXIOSA-N 2 0 267.373 -0.348 20 0 CBADRP O=C(CCC12CC(C1)C[NH2+]2)N1CC[NH2+]C[C@@H]1CO ZINC001344517225 890033468 /nfs/dbraw/zinc/03/34/68/890033468.db2.gz IZOQEPWGNLBDSC-QWKFWESOSA-N 2 0 253.346 -0.689 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001344644401 890052653 /nfs/dbraw/zinc/05/26/53/890052653.db2.gz YBIADDPUQCMBGE-PRULPYPASA-N 2 0 255.362 -0.539 20 0 CBADRP CC1(C)CN(C(=O)[C@@]2(C[NH3+])CCCOC2)C[C@@H]1[NH3+] ZINC001344766925 890062506 /nfs/dbraw/zinc/06/25/06/890062506.db2.gz SQFMFATXVNHWLF-GXFFZTMASA-N 2 0 255.362 -0.062 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001345108320 890099738 /nfs/dbraw/zinc/09/97/38/890099738.db2.gz JYCXCRIHTMZDAX-MNOVXSKESA-N 2 0 269.345 -0.916 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001345165837 890106349 /nfs/dbraw/zinc/10/63/49/890106349.db2.gz DBFDRDSMRAEUTJ-HBNTYKKESA-N 2 0 270.377 -0.561 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001345380275 890123643 /nfs/dbraw/zinc/12/36/43/890123643.db2.gz HGTINMFMNVDVIN-GWCFXTLKSA-N 2 0 255.362 -0.395 20 0 CBADRP CN1CCN(C(=O)CC2([NH3+])CCC2)CC[N@H+](C)CC1 ZINC001345454304 890132456 /nfs/dbraw/zinc/13/24/56/890132456.db2.gz VCGLODQOJOEVKM-UHFFFAOYSA-N 2 0 268.405 -0.036 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC(C)(C)[NH+](C)C ZINC001345527877 890137844 /nfs/dbraw/zinc/13/78/44/890137844.db2.gz XRSSYLDUDANKFU-NWDGAFQWSA-N 2 0 268.405 -0.169 20 0 CBADRP C[C@]1(C(=O)NC[C@@H]2CCCCC[NH2+]2)C[C@@H](O)C[NH2+]1 ZINC001345525685 890138307 /nfs/dbraw/zinc/13/83/07/890138307.db2.gz MBBDZEVIAAOKAS-DMDPSCGWSA-N 2 0 255.362 -0.252 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001345499996 890138419 /nfs/dbraw/zinc/13/84/19/890138419.db2.gz DIHIYFCJDAADMW-IRCOFANPSA-N 2 0 253.346 -0.236 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N[C@H]1CC12CC[NH2+]CC2 ZINC001345597717 890145534 /nfs/dbraw/zinc/14/55/34/890145534.db2.gz SUWKRUGYTYYARL-QWRGUYRKSA-N 2 0 253.346 -0.377 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC001345600140 890146506 /nfs/dbraw/zinc/14/65/06/890146506.db2.gz AOMJDUZFPBDAEU-MDZLAQPJSA-N 2 0 254.378 -0.395 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC001345656004 890150785 /nfs/dbraw/zinc/15/07/85/890150785.db2.gz LKXIKHCQGSXYIY-DRHCNIFCSA-N 2 0 267.373 -0.011 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001345911093 890176864 /nfs/dbraw/zinc/17/68/64/890176864.db2.gz HQPDTNWTEXAMDI-FDYHWXHSSA-N 2 0 296.415 -0.301 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)NC[C@@H]2C[NH2+]CCCO2)nn1 ZINC001345892927 890177426 /nfs/dbraw/zinc/17/74/26/890177426.db2.gz JEJFNAYBMSVQSD-NSHDSACASA-N 2 0 296.375 -0.875 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC001345943602 890183496 /nfs/dbraw/zinc/18/34/96/890183496.db2.gz KPUJXDDDKPTJPX-QWHCGFSZSA-N 3 0 268.405 -0.146 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@](C)(C[NH3+])C1)c1cnn(C)c1 ZINC001346028354 890198660 /nfs/dbraw/zinc/19/86/60/890198660.db2.gz FYSGMLLCFCYIDK-WCQYABFASA-N 2 0 265.361 -0.122 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1[NH2+]CC12CCOCC2 ZINC001346048199 890203730 /nfs/dbraw/zinc/20/37/30/890203730.db2.gz KSTGJGGPQYZCOG-VXGBXAGGSA-N 2 0 267.373 -0.129 20 0 CBADRP CC(C)C[NH2+]CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001346102897 890215945 /nfs/dbraw/zinc/21/59/45/890215945.db2.gz CUUQGUDUXVEPSY-CYBMUJFWSA-N 2 0 298.431 -0.064 20 0 CBADRP C[C@@H](NC(=O)C12CC(C1)C[NH2+]2)[C@H]1C[N@H+](C)CCN1C ZINC001346229679 890245884 /nfs/dbraw/zinc/24/58/84/890245884.db2.gz WFXIZHMNSNQWAX-KTEZZQQRSA-N 2 0 266.389 -0.511 20 0 CBADRP COC[C@@H](O)C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC001346276873 890254024 /nfs/dbraw/zinc/25/40/24/890254024.db2.gz SVVODPYBYCOYHP-LBPRGKRZSA-N 2 0 260.378 -0.181 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H](N)CC[NH+](C)C ZINC001346332419 890271541 /nfs/dbraw/zinc/27/15/41/890271541.db2.gz IDNTUNMVPBSLPF-AWEZNQCLSA-N 2 0 299.463 -0.639 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCNCC[NH2+]CC1 ZINC001346390593 890279820 /nfs/dbraw/zinc/27/98/20/890279820.db2.gz JAMFWZUULZJSQR-GXTWGEPZSA-N 2 0 295.431 -0.327 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])[C@@H]2C1 ZINC001346386001 890282528 /nfs/dbraw/zinc/28/25/28/890282528.db2.gz YXXKEWVMSBNVFB-CKIKVBCHSA-N 2 0 267.373 -0.193 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH2+]CC2)C1=O ZINC001346442131 890292188 /nfs/dbraw/zinc/29/21/88/890292188.db2.gz VQTAYLVSSLKSLL-OLZOCXBDSA-N 2 0 296.415 -0.310 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001346537184 890320075 /nfs/dbraw/zinc/32/00/75/890320075.db2.gz HLBQXFDEZDGFQG-WRWGMCAJSA-N 2 0 252.362 -0.012 20 0 CBADRP CCN(C(=O)[C@H](C)[C@@H](O)C[NH2+]C)[C@H]1CCC[NH2+]C1 ZINC001346561581 890325667 /nfs/dbraw/zinc/32/56/67/890325667.db2.gz VBKANMRUIQEBSC-WOPDTQHZSA-N 2 0 257.378 -0.197 20 0 CBADRP Cc1nn(C)cc1C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001448886178 913444410 /nfs/dbraw/zinc/44/44/10/913444410.db2.gz HLIUUATZEOZGCN-CYBMUJFWSA-N 2 0 297.403 -0.753 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC(C)(C)C[NH+](C)C ZINC001347033777 890388439 /nfs/dbraw/zinc/38/84/39/890388439.db2.gz CEWXRCRRKUDYEP-VXGBXAGGSA-N 2 0 268.405 -0.169 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)CC1C[NH+](C)C1 ZINC001347109233 890409039 /nfs/dbraw/zinc/40/90/39/890409039.db2.gz LTVCKDGACJHBDQ-WCQYABFASA-N 2 0 266.389 -0.605 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)CC1C[NH+](C)C1 ZINC001347109232 890410040 /nfs/dbraw/zinc/41/00/40/890410040.db2.gz LTVCKDGACJHBDQ-DGCLKSJQSA-N 2 0 266.389 -0.605 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C[C@H]([NH3+])C2CC2)n1 ZINC001347156876 890418236 /nfs/dbraw/zinc/41/82/36/890418236.db2.gz DOAPLTRKVBMPGG-VIFPVBQESA-N 2 0 265.317 -0.616 20 0 CBADRP [NH3+]Cc1cccc(C(=O)N2CCOC3(C[NH2+]C3)C2)c1 ZINC001347181929 890427844 /nfs/dbraw/zinc/42/78/44/890427844.db2.gz QZJHPRCEJQMLEY-UHFFFAOYSA-N 2 0 261.325 -0.040 20 0 CBADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC001347282869 890439580 /nfs/dbraw/zinc/43/95/80/890439580.db2.gz OQLLFHSQYYBGTN-QJPTWQEYSA-N 2 0 293.433 -0.390 20 0 CBADRP CC[N@H+](CC(=O)N1CC[C@](O)(C[NH+](C)C)C1)C1CC1 ZINC001347430407 890462434 /nfs/dbraw/zinc/46/24/34/890462434.db2.gz XMGHYTPCHJEPQV-AWEZNQCLSA-N 2 0 269.389 -0.004 20 0 CBADRP CC(C)[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CCO)CC1 ZINC001448918691 913458361 /nfs/dbraw/zinc/45/83/61/913458361.db2.gz KTQZCMDQDIVTOS-CYBMUJFWSA-N 2 0 287.404 -0.834 20 0 CBADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001348319696 890596182 /nfs/dbraw/zinc/59/61/82/890596182.db2.gz JKBVCJYVWGSZCH-WDEREUQCSA-N 2 0 280.372 -0.935 20 0 CBADRP C[C@@H](F)CC[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001448947777 913467732 /nfs/dbraw/zinc/46/77/32/913467732.db2.gz OGLBDNZMWFYSDQ-VXGBXAGGSA-N 2 0 287.379 -0.103 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]C[C@H]1CCCOC1 ZINC001448962093 913470849 /nfs/dbraw/zinc/47/08/49/913470849.db2.gz ZKVWBXHSMIZGQX-ZIAGYGMSSA-N 2 0 299.415 -0.425 20 0 CBADRP Cn1cncc1CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001348396185 890614543 /nfs/dbraw/zinc/61/45/43/890614543.db2.gz NELSIAHWWFJMAG-LBPRGKRZSA-N 2 0 293.371 -0.581 20 0 CBADRP Cn1cncc1C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001448959494 913471874 /nfs/dbraw/zinc/47/18/74/913471874.db2.gz VPNABMDULFDBNR-LBPRGKRZSA-N 2 0 295.387 -0.917 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)c1 ZINC001448950713 913471892 /nfs/dbraw/zinc/47/18/92/913471892.db2.gz KNOKRBDMDVFFBG-CYBMUJFWSA-N 2 0 297.403 -0.673 20 0 CBADRP CC[C@@H](C(=O)NCCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001348648034 890671708 /nfs/dbraw/zinc/67/17/08/890671708.db2.gz NWURDEVOPUNGMF-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@H](C(=O)NCCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001348648032 890672064 /nfs/dbraw/zinc/67/20/64/890672064.db2.gz NWURDEVOPUNGMF-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP Cc1cncn1CC(=O)NCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001348647618 890673215 /nfs/dbraw/zinc/67/32/15/890673215.db2.gz DSDHSCAMECJGIE-LBPRGKRZSA-N 2 0 293.371 -0.482 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)c1cn(CCC[NH3+])nn1 ZINC001349153159 890768046 /nfs/dbraw/zinc/76/80/46/890768046.db2.gz NEYUSHULKLZWGR-SECBINFHSA-N 2 0 254.338 -0.788 20 0 CBADRP COC1(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CC[NH2+]CC1 ZINC001349385870 890803113 /nfs/dbraw/zinc/80/31/13/890803113.db2.gz DNFPDMFAHIHYHW-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCC(=O)N1CC[NH2+]CC1 ZINC001349399162 890806306 /nfs/dbraw/zinc/80/63/06/890806306.db2.gz YIGPBNPFQQDPHJ-WZRBSPASSA-N 2 0 254.378 -0.606 20 0 CBADRP [NH3+]CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001349404417 890809602 /nfs/dbraw/zinc/80/96/02/890809602.db2.gz YEVMIVXNDODHCL-YPMHNXCESA-N 2 0 271.361 -0.684 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC1=CC[NH+](C)CC1 ZINC001349403151 890809644 /nfs/dbraw/zinc/80/96/44/890809644.db2.gz GTSGARREIABXCH-JSGCOSHPSA-N 2 0 278.400 -0.247 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](N)CC[NH+](C)C)C1 ZINC001349657184 890860551 /nfs/dbraw/zinc/86/05/51/890860551.db2.gz ZRRZMOPEBSAOOC-NWDGAFQWSA-N 2 0 256.394 -0.277 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001349809063 890895248 /nfs/dbraw/zinc/89/52/48/890895248.db2.gz VOQDRJZHRTZBPU-RYUDHWBXSA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001349809062 890895521 /nfs/dbraw/zinc/89/55/21/890895521.db2.gz VOQDRJZHRTZBPU-NWDGAFQWSA-N 2 0 284.404 -0.171 20 0 CBADRP CCN(C(=O)CO[C@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC001349909131 890913023 /nfs/dbraw/zinc/91/30/23/890913023.db2.gz USMMPTFCUIKUGR-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC001350031936 890925703 /nfs/dbraw/zinc/92/57/03/890925703.db2.gz NCPDIJVKFYLCGD-CYDGBPFRSA-N 2 0 294.399 -0.417 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001350069794 890930822 /nfs/dbraw/zinc/93/08/22/890930822.db2.gz QRLJXYSLDYNZTI-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001350060419 890931822 /nfs/dbraw/zinc/93/18/22/890931822.db2.gz DCRJBYZACKAIHM-XYPYZODXSA-N 2 0 270.377 -0.750 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001350215247 890949469 /nfs/dbraw/zinc/94/94/69/890949469.db2.gz RTMDXTNCYALASU-KZZRWZIVSA-N 2 0 250.346 -0.260 20 0 CBADRP CN(C(=O)[C@H]1CCO[C@@H]1C[NH3+])C1CC[NH+](C)CC1 ZINC001350405288 890979251 /nfs/dbraw/zinc/97/92/51/890979251.db2.gz NNOCPNXMJWBGLA-NWDGAFQWSA-N 2 0 255.362 -0.097 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001350420354 890983170 /nfs/dbraw/zinc/98/31/70/890983170.db2.gz XMAKQTSCJJHMND-BDAKNGLRSA-N 2 0 251.334 -0.176 20 0 CBADRP CC(C)[C@H]([NH3+])CCNCc1cn(CC(N)=O)nn1 ZINC001350454553 890987521 /nfs/dbraw/zinc/98/75/21/890987521.db2.gz JERCHVSQZUTTRK-SNVBAGLBSA-N 2 0 254.338 -0.774 20 0 CBADRP C[NH+](C)C1CN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC001350588367 891014463 /nfs/dbraw/zinc/01/44/63/891014463.db2.gz GNOJMAOOQHQPDV-ZDUSSCGKSA-N 2 0 255.362 -0.394 20 0 CBADRP [NH3+]CC(C[NH3+])NCCCS(=O)(=O)c1ccccc1 ZINC001350908346 891065409 /nfs/dbraw/zinc/06/54/09/891065409.db2.gz CXPLXLKZOTUZNO-UHFFFAOYSA-N 2 0 271.386 -0.274 20 0 CBADRP CN(C[C@@H](O)C[NH2+]Cc1cnn(C)c1)C(=O)CC[NH+](C)C ZINC001449150546 913523227 /nfs/dbraw/zinc/52/32/27/913523227.db2.gz ZZJALDVRBPNPGJ-ZDUSSCGKSA-N 2 0 297.403 -0.719 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001351580736 891158168 /nfs/dbraw/zinc/15/81/68/891158168.db2.gz XAXDPSAGGXRVNZ-YNEHKIRRSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCOCC[NH+](C)C ZINC001351731714 891178665 /nfs/dbraw/zinc/17/86/65/891178665.db2.gz NKVGFVZBKRXPNO-OLZOCXBDSA-N 2 0 284.404 -0.931 20 0 CBADRP [NH3+][C@H](c1cn(C[C@H]2C[NH2+]CCO2)nn1)[C@@H]1CCCO1 ZINC001351755876 891181704 /nfs/dbraw/zinc/18/17/04/891181704.db2.gz KPHXOZZCVXAXRB-ADEWGFFLSA-N 2 0 267.333 -0.555 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCNC(=O)CC12CCOCC2 ZINC001351800229 891189492 /nfs/dbraw/zinc/18/94/92/891189492.db2.gz LUYWJKYHHXDNKT-UHFFFAOYSA-N 2 0 271.361 -0.667 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)nn1 ZINC001352865408 891312817 /nfs/dbraw/zinc/31/28/17/891312817.db2.gz YYFZKABFDQAJRH-ZYHUDNBSSA-N 2 0 264.333 -0.749 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001353049299 891348828 /nfs/dbraw/zinc/34/88/28/891348828.db2.gz UZXVYEPEFOZAEX-UWVGGRQHSA-N 2 0 268.361 -0.807 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])[NH+]1CCCCC1 ZINC001353049456 891350651 /nfs/dbraw/zinc/35/06/51/891350651.db2.gz ZIHDBIPQPYWKEU-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC001353075868 891354754 /nfs/dbraw/zinc/35/47/54/891354754.db2.gz FFZUCQMCFJPFDI-RNJXMRFFSA-N 2 0 269.267 -0.444 20 0 CBADRP [NH3+]CCN(CC(F)(F)F)C(=O)CN1CC[NH2+]CC1 ZINC001353091172 891358088 /nfs/dbraw/zinc/35/80/88/891358088.db2.gz ADGODXHZNKDFBK-UHFFFAOYSA-N 2 0 268.283 -0.759 20 0 CBADRP C[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)C1=CC[N@H+](C)CC1 ZINC001353132686 891364388 /nfs/dbraw/zinc/36/43/88/891364388.db2.gz WDTKDOYTFFMKAN-GVXVVHGQSA-N 2 0 294.399 -0.394 20 0 CBADRP C[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001449220135 913549962 /nfs/dbraw/zinc/54/99/62/913549962.db2.gz UWWPELOURPUSHC-RYUDHWBXSA-N 2 0 275.393 -0.930 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)NC2CC[NH2+]CC2)n1 ZINC001353193362 891380225 /nfs/dbraw/zinc/38/02/25/891380225.db2.gz HBYMNCNWYUXWST-UHFFFAOYSA-N 2 0 251.334 -0.286 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001353202154 891381468 /nfs/dbraw/zinc/38/14/68/891381468.db2.gz ZVYNYFJWCXRZRB-WZRBSPASSA-N 2 0 255.362 -0.416 20 0 CBADRP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001449242367 913551853 /nfs/dbraw/zinc/55/18/53/913551853.db2.gz ZMXAMAVEGMALNN-QWHCGFSZSA-N 2 0 287.404 -0.928 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@@H+]1C ZINC001353258228 891388369 /nfs/dbraw/zinc/38/83/69/891388369.db2.gz AVQNPPWVPQPWRE-BJDJZHNGSA-N 2 0 280.372 -0.842 20 0 CBADRP C[NH+]1CCC(NC(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001353253697 891388742 /nfs/dbraw/zinc/38/87/42/891388742.db2.gz DBLVDGRPCQKELP-UHFFFAOYSA-N 2 0 269.393 -0.715 20 0 CBADRP CC[NH+]1CCN(CC[NH2+]C[C@H](O)C2(O)CCC2)CC1 ZINC001353274121 891392818 /nfs/dbraw/zinc/39/28/18/891392818.db2.gz SNSQWSIJFLUVND-ZDUSSCGKSA-N 2 0 271.405 -0.511 20 0 CBADRP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001449242368 913555913 /nfs/dbraw/zinc/55/59/13/913555913.db2.gz ZMXAMAVEGMALNN-STQMWFEESA-N 2 0 287.404 -0.928 20 0 CBADRP C[NH2+]CCN(C(=O)NC[C@@H]1C[NH2+]CCO1)C(C)C ZINC001353427868 891425561 /nfs/dbraw/zinc/42/55/61/891425561.db2.gz CYTKGFBIVQFQGZ-NSHDSACASA-N 2 0 258.366 -0.386 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001353431253 891425622 /nfs/dbraw/zinc/42/56/22/891425622.db2.gz UVKDATSMVYKMGP-GVXVVHGQSA-N 2 0 268.361 -0.584 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)N1CCC[C@]12CC[NH2+]C2 ZINC001353430278 891425997 /nfs/dbraw/zinc/42/59/97/891425997.db2.gz PSABMAMFUZGJOO-DGCLKSJQSA-N 2 0 268.361 -0.488 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)NC[C@H]1COCC[NH2+]1)C2 ZINC001353441162 891428188 /nfs/dbraw/zinc/42/81/88/891428188.db2.gz CYVXPAPMELPRLO-USZNOCQGSA-N 2 0 268.361 -0.504 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)NCC[NH+]2CCCC2)C1=O ZINC001353449112 891428439 /nfs/dbraw/zinc/42/84/39/891428439.db2.gz ZYQWIFMUZXJYIZ-GFCCVEGCSA-N 2 0 282.388 -0.604 20 0 CBADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)NC[C@H]1COCC[NH2+]1)C2 ZINC001353441147 891428788 /nfs/dbraw/zinc/42/87/88/891428788.db2.gz CYVXPAPMELPRLO-BJDJZHNGSA-N 2 0 268.361 -0.504 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC001353441608 891428841 /nfs/dbraw/zinc/42/88/41/891428841.db2.gz JAUOXOOOZKSAPO-GHMZBOCLSA-N 2 0 256.350 -0.645 20 0 CBADRP CCO[C@@H](CNC(=O)NC(C)(C)C[NH3+])C[NH+](C)C ZINC001353468757 891430720 /nfs/dbraw/zinc/43/07/20/891430720.db2.gz YVJDCUCSMOTEEN-JTQLQIEISA-N 2 0 260.382 -0.010 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001353489456 891433307 /nfs/dbraw/zinc/43/33/07/891433307.db2.gz PKYOZVFZLCGMER-OZMAASJLSA-N 2 0 250.346 -0.131 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001353507315 891437960 /nfs/dbraw/zinc/43/79/60/891437960.db2.gz BISPFOOMPJCRRU-DYEKYZERSA-N 2 0 267.373 -0.177 20 0 CBADRP CN1CCN(C(=O)N[C@H]2C[NH2+]CC2(C)C)[C@H](C[NH3+])C1 ZINC001353510993 891440717 /nfs/dbraw/zinc/44/07/17/891440717.db2.gz DRVKPDCPAHDALM-MNOVXSKESA-N 2 0 269.393 -0.731 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)(C)O ZINC001353571650 891447304 /nfs/dbraw/zinc/44/73/04/891447304.db2.gz RADRXNOBZSDWPF-SNVBAGLBSA-N 2 0 261.366 -0.831 20 0 CBADRP [NH3+]C1(CNC(=O)C2=NOC3(C2)CC[NH2+]CC3)CCC1 ZINC001353602632 891453383 /nfs/dbraw/zinc/45/33/83/891453383.db2.gz QFPWZHXKUWTXAC-UHFFFAOYSA-N 2 0 266.345 -0.118 20 0 CBADRP C[NH2+]C1CC(C(=O)N2CCC[NH2+]C[C@H]2C(=O)OC)C1 ZINC001353647002 891456717 /nfs/dbraw/zinc/45/67/17/891456717.db2.gz WPPDUSILMMJGAZ-ILDUYXDCSA-N 2 0 269.345 -0.652 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001353644667 891456922 /nfs/dbraw/zinc/45/69/22/891456922.db2.gz CQNOROIALOKIRF-LBPRGKRZSA-N 2 0 254.378 -0.617 20 0 CBADRP O=C(NCC[C@H]1CSCC[NH2+]1)[C@@]1(F)CC[NH2+]C1 ZINC001353948294 891490534 /nfs/dbraw/zinc/49/05/34/891490534.db2.gz FXBBGRLXLGOQMQ-GXSJLCMTSA-N 2 0 261.366 -0.101 20 0 CBADRP C[NH2+]CCCN(C)C(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001353895096 891485289 /nfs/dbraw/zinc/48/52/89/891485289.db2.gz RQYVYHNYBNFIJM-YPMHNXCESA-N 2 0 255.362 -0.320 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCn2cncc2C1 ZINC001354018576 891498494 /nfs/dbraw/zinc/49/84/94/891498494.db2.gz HPZFKWXRKCVFGM-AAEUAGOBSA-N 2 0 264.329 -0.320 20 0 CBADRP C[C@@H]([NH3+])CONC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001354073685 891510078 /nfs/dbraw/zinc/51/00/78/891510078.db2.gz KVXRJJYLRVVJFP-SFYZADRCSA-N 2 0 253.306 -0.505 20 0 CBADRP NC(=O)CC1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001354186053 891529746 /nfs/dbraw/zinc/52/97/46/891529746.db2.gz YIUHFOKIXBPYKJ-LBPRGKRZSA-N 2 0 267.373 -0.048 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCC3(C[NH2+]C3)CC2)C1 ZINC001354201300 891532025 /nfs/dbraw/zinc/53/20/25/891532025.db2.gz INJBWVQLHPVQPF-YPMHNXCESA-N 2 0 267.373 -0.035 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCC3(C[NH2+]C3)CC2)C1 ZINC001354201298 891532283 /nfs/dbraw/zinc/53/22/83/891532283.db2.gz INJBWVQLHPVQPF-DGCLKSJQSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CNCCOC2)CC1 ZINC001354238827 891544104 /nfs/dbraw/zinc/54/41/04/891544104.db2.gz YVWPDJCGWAGUCZ-CQSZACIVSA-N 2 0 298.431 -0.445 20 0 CBADRP [NH3+]C[C@H](O)CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC001354299083 891559524 /nfs/dbraw/zinc/55/95/24/891559524.db2.gz WESRTQNKYHNFJD-BJDJZHNGSA-N 2 0 255.362 -0.267 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)NCC23CC(C2)C[NH2+]3)C1=O ZINC001354319947 891562704 /nfs/dbraw/zinc/56/27/04/891562704.db2.gz XMOGYALHOFSJLF-IQLKVPPVSA-N 2 0 280.372 -0.948 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001354343373 891568565 /nfs/dbraw/zinc/56/85/65/891568565.db2.gz OVLKUMNQUSYLNL-STQMWFEESA-N 2 0 269.389 -0.066 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC001354409282 891576217 /nfs/dbraw/zinc/57/62/17/891576217.db2.gz FINUPFDDGYCUBH-AAEUAGOBSA-N 2 0 255.362 -0.320 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)CCSCCC[NH3+] ZINC001354461063 891583049 /nfs/dbraw/zinc/58/30/49/891583049.db2.gz FMKBDFJGFGKWMC-JTQLQIEISA-N 2 0 263.407 -0.503 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC001354462302 891583782 /nfs/dbraw/zinc/58/37/82/891583782.db2.gz NPSTZEKMHMYWBJ-JSGCOSHPSA-N 2 0 265.357 -0.101 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001354513094 891589971 /nfs/dbraw/zinc/58/99/71/891589971.db2.gz YFDKIVZFQIUUKZ-GXFFZTMASA-N 2 0 268.361 -0.384 20 0 CBADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001354501147 891590629 /nfs/dbraw/zinc/59/06/29/891590629.db2.gz YYOPGPYEKVBGLX-RNCFNFMXSA-N 2 0 268.361 -0.255 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC001354535148 891594404 /nfs/dbraw/zinc/59/44/04/891594404.db2.gz DIASKEOUGBHILW-PWSUYJOCSA-N 2 0 263.341 -0.140 20 0 CBADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H]([NH3+])C(C)(C)O ZINC001354580083 891596768 /nfs/dbraw/zinc/59/67/68/891596768.db2.gz GEXOIIRCYYDOST-GARJFASQSA-N 2 0 255.362 -0.220 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CO)CCN1c1cc[nH+]cc1 ZINC001354607978 891600783 /nfs/dbraw/zinc/60/07/83/891600783.db2.gz PUMUUEIKBUNLRN-ZYHUDNBSSA-N 2 0 264.329 -0.562 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)c1c(C[NH3+])cnn1C ZINC001354683987 891605459 /nfs/dbraw/zinc/60/54/59/891605459.db2.gz SATVAABWFGPQLF-SCZZXKLOSA-N 2 0 251.334 -0.536 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1[C@H](C)C[NH2+][C@@H](C)[C@H]1C ZINC001354892011 891626574 /nfs/dbraw/zinc/62/65/74/891626574.db2.gz FFCDJEITWNVHPT-IIRVCBMXSA-N 2 0 257.378 -0.200 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1[C@H](C)C[NH2+][C@H](C)[C@H]1C ZINC001354892017 891628905 /nfs/dbraw/zinc/62/89/05/891628905.db2.gz FFCDJEITWNVHPT-ROHXPCBUSA-N 2 0 257.378 -0.200 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC001355041996 891640271 /nfs/dbraw/zinc/64/02/71/891640271.db2.gz FPUCKEOGPWSDJM-MDZLAQPJSA-N 2 0 253.346 -0.580 20 0 CBADRP [NH3+]C[C@H](O)CCc1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC001355401726 891674216 /nfs/dbraw/zinc/67/42/16/891674216.db2.gz FNTGWZJIOWNBOS-WCQYABFASA-N 2 0 267.377 -0.080 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001355464027 891682488 /nfs/dbraw/zinc/68/24/88/891682488.db2.gz NBOBOALAPPZDRJ-LBPRGKRZSA-N 2 0 268.405 -0.086 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001355654192 891698218 /nfs/dbraw/zinc/69/82/18/891698218.db2.gz ZZHJSEVXJHNUFC-IJLUTSLNSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]C1CC2(C1)CC(NC(=O)CN1CC[NH2+]CC1)C2 ZINC001356176245 891735238 /nfs/dbraw/zinc/73/52/38/891735238.db2.gz PUSSYNFMUHZUGU-UHFFFAOYSA-N 2 0 252.362 -0.722 20 0 CBADRP [NH3+]C1CC2(C1)CC(NC(=O)C[C@]1(O)CCC[NH2+]C1)C2 ZINC001356175548 891735692 /nfs/dbraw/zinc/73/56/92/891735692.db2.gz MVFDVSAKQXAITD-YTNLPCBDSA-N 2 0 267.373 -0.123 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC001356432572 891757469 /nfs/dbraw/zinc/75/74/69/891757469.db2.gz BLMXAVLYJJBWAG-XYPYZODXSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@@H]1CCC[NH2+]CC1 ZINC001356454617 891763460 /nfs/dbraw/zinc/76/34/60/891763460.db2.gz TYUBKQWTMWCXMP-NEPJUHHUSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)N[C@H]1C[NH2+]CC12CC2 ZINC001356473440 891767982 /nfs/dbraw/zinc/76/79/82/891767982.db2.gz VANCIZOOPUZPAX-UWVGGRQHSA-N 2 0 255.387 -0.050 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001356498039 891770437 /nfs/dbraw/zinc/77/04/37/891770437.db2.gz APIMYOQRAYXUPK-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001356498041 891771236 /nfs/dbraw/zinc/77/12/36/891771236.db2.gz APIMYOQRAYXUPK-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001356498497 891771269 /nfs/dbraw/zinc/77/12/69/891771269.db2.gz GJYHJKOMJJNBDL-GHMZBOCLSA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH2+]C[C@H]1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001356499462 891774286 /nfs/dbraw/zinc/77/42/86/891774286.db2.gz RAYCLEZNRRFSNC-DGCLKSJQSA-N 2 0 255.362 -0.441 20 0 CBADRP CSC[C@@H](O)C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC001356584956 891779906 /nfs/dbraw/zinc/77/99/06/891779906.db2.gz QKLYLIOWHWCNAP-RYUDHWBXSA-N 2 0 261.435 -0.064 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)CC[C@@H]1[NH3+] ZINC001356626574 891783931 /nfs/dbraw/zinc/78/39/31/891783931.db2.gz DMTRZSUFNXIGKY-YPMHNXCESA-N 2 0 269.389 -0.114 20 0 CBADRP [NH3+][C@H](CO)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC001357351651 891872693 /nfs/dbraw/zinc/87/26/93/891872693.db2.gz VOFITEIVXAGGGF-GFCCVEGCSA-N 2 0 255.362 -0.171 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O)C1CC1 ZINC001357367863 891875729 /nfs/dbraw/zinc/87/57/29/891875729.db2.gz MPFFDMNCDSFTPU-OLZOCXBDSA-N 2 0 296.415 -0.360 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001357374482 891878836 /nfs/dbraw/zinc/87/88/36/891878836.db2.gz CJBSUMDNEIRVEX-DYEKYZERSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@@H](CNC(=O)C1(C[NH3+])CC(O)C1)[N@H+](C)C1CC1 ZINC001357391915 891882422 /nfs/dbraw/zinc/88/24/22/891882422.db2.gz OFHKKJLWJAYKOE-FJJSSXBZSA-N 2 0 255.362 -0.315 20 0 CBADRP C[NH+](C)C1(CNC(=O)C23CC(C2)C[NH2+]3)CCOCC1 ZINC001357403695 891884847 /nfs/dbraw/zinc/88/48/47/891884847.db2.gz FGRRUOUCWZVGNZ-UHFFFAOYSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC001357405472 891885086 /nfs/dbraw/zinc/88/50/86/891885086.db2.gz RTUKRDWFYDBRBT-AAEUAGOBSA-N 2 0 269.389 -0.101 20 0 CBADRP [NH3+]CCNCC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001357396960 891885445 /nfs/dbraw/zinc/88/54/45/891885445.db2.gz MJENSJVCKICEMC-GFCCVEGCSA-N 2 0 254.378 -0.379 20 0 CBADRP C[NH2+]CCCNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001357433893 891893557 /nfs/dbraw/zinc/89/35/57/891893557.db2.gz HUVPIDHTSIXCSE-QWHCGFSZSA-N 2 0 284.404 -0.164 20 0 CBADRP CC[NH2+]CCNC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001357434044 891895072 /nfs/dbraw/zinc/89/50/72/891895072.db2.gz FJDWLYPSOSJVAV-UHFFFAOYSA-N 2 0 285.436 -0.029 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)[C@H](C)C[NH2+]1 ZINC001357443560 891895245 /nfs/dbraw/zinc/89/52/45/891895245.db2.gz CFAPPECGUXZPSO-IJLUTSLNSA-N 2 0 282.388 -0.608 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001357472115 891900776 /nfs/dbraw/zinc/90/07/76/891900776.db2.gz LWWZEPVVEZDIKO-NEPJUHHUSA-N 2 0 255.362 -0.456 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001357472382 891901769 /nfs/dbraw/zinc/90/17/69/891901769.db2.gz OSHCJGALHUMYOI-NHCYSSNCSA-N 2 0 259.325 -0.693 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC001357514725 891907859 /nfs/dbraw/zinc/90/78/59/891907859.db2.gz IVHRTPVJJSNXNT-QWRGUYRKSA-N 2 0 256.350 -0.645 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001357517506 891909128 /nfs/dbraw/zinc/90/91/28/891909128.db2.gz HSRVREUQWXREAD-SNVBAGLBSA-N 2 0 258.366 -0.480 20 0 CBADRP CC1(C)CN(C(=O)NC[C@@H]2COCC[NH2+]2)C[C@H]1[NH3+] ZINC001357519695 891910391 /nfs/dbraw/zinc/91/03/91/891910391.db2.gz XUTLISICKONKNV-NXEZZACHSA-N 2 0 256.350 -0.647 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)N2CCNCC[NH2+]CC2)C[NH2+]1 ZINC001357532428 891911648 /nfs/dbraw/zinc/91/16/48/891911648.db2.gz LVSMQOSLWDMAFL-RYUDHWBXSA-N 2 0 269.393 -0.669 20 0 CBADRP CC(C)([NH3+])CCNC(=O)N1CCNCC[NH2+]CC1 ZINC001357547921 891914741 /nfs/dbraw/zinc/91/47/41/891914741.db2.gz XOWZQSOMVPBSCL-UHFFFAOYSA-N 2 0 257.382 -0.682 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001357545944 891915019 /nfs/dbraw/zinc/91/50/19/891915019.db2.gz IPRAZNQEICSUHP-GHMZBOCLSA-N 2 0 258.366 -0.528 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC001357613692 891920417 /nfs/dbraw/zinc/92/04/17/891920417.db2.gz YVUBOCNHFSZJNM-TUAOUCFPSA-N 2 0 255.362 -0.313 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001357619646 891921317 /nfs/dbraw/zinc/92/13/17/891921317.db2.gz OOYQGLXWAUDKCK-GWCFXTLKSA-N 2 0 257.378 -0.019 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001357844135 891940770 /nfs/dbraw/zinc/94/07/70/891940770.db2.gz PWIMCOPQTKECAD-GHMZBOCLSA-N 2 0 269.345 -0.998 20 0 CBADRP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001357846989 891941380 /nfs/dbraw/zinc/94/13/80/891941380.db2.gz PRBQKZWQDKKLFD-NXEZZACHSA-N 2 0 255.362 -0.003 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC001357967078 891950988 /nfs/dbraw/zinc/95/09/88/891950988.db2.gz PHSNYSZGWBWOCV-MNOVXSKESA-N 2 0 257.378 -0.197 20 0 CBADRP CCC1([NH+](C)C)CCN(C(=O)CNCC[NH3+])CC1 ZINC001357979098 891953436 /nfs/dbraw/zinc/95/34/36/891953436.db2.gz HAOVEIXNQVGUKY-UHFFFAOYSA-N 2 0 256.394 -0.133 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1C[NH2+]CCN1C)C1CC[NH2+]CC1 ZINC001357992257 891955182 /nfs/dbraw/zinc/95/51/82/891955182.db2.gz ICSRECHZEMPTQY-PWSUYJOCSA-N 2 0 254.378 -0.606 20 0 CBADRP C[N@H+](CC(=O)N1CC[NH2+]C[C@H]1CO)CC(C)(C)C ZINC001358028509 891960545 /nfs/dbraw/zinc/96/05/45/891960545.db2.gz NXLJSTSVTAKAJM-NSHDSACASA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001358070475 891964145 /nfs/dbraw/zinc/96/41/45/891964145.db2.gz NPWUMDCVSZKVOA-ZYHUDNBSSA-N 2 0 255.362 -0.179 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001358119096 891971383 /nfs/dbraw/zinc/97/13/83/891971383.db2.gz KJXFNGFHSUAOIN-CSMHCCOUSA-N 2 0 269.267 -0.566 20 0 CBADRP CC1(C)CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C[C@H]1[NH3+] ZINC001358131281 891974999 /nfs/dbraw/zinc/97/49/99/891974999.db2.gz PMXXEHLYEZVPDM-GHMZBOCLSA-N 2 0 282.388 -0.621 20 0 CBADRP CCO[C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C[NH+](C)C ZINC001358202191 891978121 /nfs/dbraw/zinc/97/81/21/891978121.db2.gz OJHBQHSHRISYPX-KKOKHZNYSA-N 2 0 255.362 -0.180 20 0 CBADRP C[C@H]1[C@H](NC(=O)c2cn(CCCC[NH3+])nn2)CC[N@@H+]1C ZINC001358185331 891978814 /nfs/dbraw/zinc/97/88/14/891978814.db2.gz IUGBEGJYSHCPRS-WDEREUQCSA-N 2 0 280.376 -0.161 20 0 CBADRP CC1(C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C[NH2+]C1 ZINC001358224008 891981129 /nfs/dbraw/zinc/98/11/29/891981129.db2.gz NRTXAUUNYDLUJP-NSHDSACASA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+][C@H]1CCCC[C@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001358239071 891983874 /nfs/dbraw/zinc/98/38/74/891983874.db2.gz WOIOPRROCBLYMV-NEPJUHHUSA-N 2 0 254.378 -0.475 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC001358249180 891984742 /nfs/dbraw/zinc/98/47/42/891984742.db2.gz CXLGBXFHTBOCRW-LLVKDONJSA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001358316207 891994167 /nfs/dbraw/zinc/99/41/67/891994167.db2.gz APDWDUCJWDNDPX-DYEKYZERSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC001358396687 892002204 /nfs/dbraw/zinc/00/22/04/892002204.db2.gz PGEFRNRAONXYKS-KZVDOYCCSA-N 2 0 269.389 -0.067 20 0 CBADRP CN1CCN(C(=O)C2CC[NH2+]CC2)CC[N@H+](C)CC1 ZINC001358443752 892004744 /nfs/dbraw/zinc/00/47/44/892004744.db2.gz CJBBQTKSOKRPIH-UHFFFAOYSA-N 2 0 268.405 -0.308 20 0 CBADRP Cc1nc[nH]c1CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC001362035660 892382577 /nfs/dbraw/zinc/38/25/77/892382577.db2.gz ROFGYCNWKJERGH-UHFFFAOYSA-N 2 0 293.371 -0.507 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001362317319 892590360 /nfs/dbraw/zinc/59/03/60/892590360.db2.gz CTTHNEQLUHCEJI-AAEUAGOBSA-N 2 0 273.352 -0.397 20 0 CBADRP CCN1CCO[C@H](C(=O)NC2(CCO)CC[NH+](C)CC2)C1 ZINC001362454014 892693180 /nfs/dbraw/zinc/69/31/80/892693180.db2.gz VPSCFCQCTNUMII-ZDUSSCGKSA-N 2 0 299.415 -0.330 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001362484749 892718696 /nfs/dbraw/zinc/71/86/96/892718696.db2.gz SYCCFFOHVGDTAZ-CYBMUJFWSA-N 2 0 280.416 -0.214 20 0 CBADRP C[NH+](C)CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001362760228 893001520 /nfs/dbraw/zinc/00/15/20/893001520.db2.gz LASDGGBAUHRUDJ-UHFFFAOYSA-N 2 0 298.431 -0.539 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)CCC(N)=O)C[C@H]1C[NH+](C)C ZINC001363147933 893407692 /nfs/dbraw/zinc/40/76/92/893407692.db2.gz SCZSJQGVHMPMGC-VXGBXAGGSA-N 2 0 284.404 -0.550 20 0 CBADRP O[C@@H](C[NH+]1CCC(O)(CN2CCOCC2)CC1)C1CC1 ZINC001363224697 893473560 /nfs/dbraw/zinc/47/35/60/893473560.db2.gz FMERYQWAXCTDNO-AWEZNQCLSA-N 2 0 284.400 -0.084 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(CC(=O)NC3CC[NH+](C)CC3)C[C@@H]21 ZINC001363790562 893995506 /nfs/dbraw/zinc/99/55/06/893995506.db2.gz KNMOTWPORMGIEO-OCCSQVGLSA-N 2 0 280.416 -0.167 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)C1 ZINC001364643574 894538052 /nfs/dbraw/zinc/53/80/52/894538052.db2.gz QHNPOKMGDGNRNM-MELADBBJSA-N 2 0 281.400 -0.004 20 0 CBADRP C[NH+]1CCC2(CC1)C[N@H+](C[C@H](O)C(C)(C)O)CCO2 ZINC001365318466 894897784 /nfs/dbraw/zinc/89/77/84/894897784.db2.gz QYLKEMKQRFIBLO-LBPRGKRZSA-N 2 0 272.389 -0.085 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001365821647 895129477 /nfs/dbraw/zinc/12/94/77/895129477.db2.gz PFWQGUXEDXUFRW-WUHRBBMRSA-N 2 0 298.431 -0.069 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC001365850424 895131037 /nfs/dbraw/zinc/13/10/37/895131037.db2.gz XYBCTLYTAVXSKJ-KKOKHZNYSA-N 2 0 284.404 -0.315 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001365895503 895138477 /nfs/dbraw/zinc/13/84/77/895138477.db2.gz LQUFQGOGMDMUMP-AGIUHOORSA-N 2 0 287.404 -0.476 20 0 CBADRP C[C@H](O)C[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001365952973 895148810 /nfs/dbraw/zinc/14/88/10/895148810.db2.gz AULPNJNRJZYGRE-KBPBESRZSA-N 2 0 298.431 -0.805 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@H+](CCO)C1 ZINC001365953392 895149074 /nfs/dbraw/zinc/14/90/74/895149074.db2.gz SUNULMCJPRXKBB-KGLIPLIRSA-N 2 0 299.415 -0.472 20 0 CBADRP CC[C@@H]([NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1)C(N)=O ZINC001366081733 895185519 /nfs/dbraw/zinc/18/55/19/895185519.db2.gz XQBHOBDWVXSSTN-CHWSQXEVSA-N 2 0 296.415 -0.170 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H]([NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001366082426 895185575 /nfs/dbraw/zinc/18/55/75/895185575.db2.gz ZOVSHDBGCOETBL-OLZOCXBDSA-N 2 0 294.399 -0.545 20 0 CBADRP CN(C(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001366098096 895191168 /nfs/dbraw/zinc/19/11/68/895191168.db2.gz LRXUDLHMPKKMAS-LBPRGKRZSA-N 2 0 296.415 -0.251 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001366098788 895191487 /nfs/dbraw/zinc/19/14/87/895191487.db2.gz PEAARSURVLCKSQ-UONOGXRCSA-N 2 0 299.415 -0.474 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001366133049 895199833 /nfs/dbraw/zinc/19/98/33/895199833.db2.gz WPIMBTNTMKTERV-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](O)COC)C1)[NH+](C)C ZINC001366157935 895207724 /nfs/dbraw/zinc/20/77/24/895207724.db2.gz DCHOLMIVMRJYEW-RNJOBUHISA-N 2 0 287.404 -0.429 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001366173930 895211131 /nfs/dbraw/zinc/21/11/31/895211131.db2.gz WEXFDXUZHLWAST-NNYUYHANSA-N 2 0 284.404 -0.317 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001366170033 895214284 /nfs/dbraw/zinc/21/42/84/895214284.db2.gz XDEYCDRXCLZXAE-FRRDWIJNSA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001366182052 895217244 /nfs/dbraw/zinc/21/72/44/895217244.db2.gz ANQXNIXFOOAZQH-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001366218855 895220147 /nfs/dbraw/zinc/22/01/47/895220147.db2.gz KEXZOJKTLIGBNG-GFCCVEGCSA-N 2 0 282.388 -0.462 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCn1cncn1 ZINC001366308009 895265564 /nfs/dbraw/zinc/26/55/64/895265564.db2.gz DZBUDGIOBBRKPS-NWDGAFQWSA-N 2 0 280.376 -0.533 20 0 CBADRP CC[C@H]([NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001366308634 895268588 /nfs/dbraw/zinc/26/85/88/895268588.db2.gz ZXUJEVMBENSAEY-RYUDHWBXSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC(N)=O ZINC001366334732 895283706 /nfs/dbraw/zinc/28/37/06/895283706.db2.gz VZWJJXYGGRLYCD-SNVBAGLBSA-N 2 0 270.377 -0.702 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001366346532 895289622 /nfs/dbraw/zinc/28/96/22/895289622.db2.gz ULMVYQDYDRCSDH-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP CCN(CC)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001366358138 895289721 /nfs/dbraw/zinc/28/97/21/895289721.db2.gz NDMVLYQSBKAZDL-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001366381577 895302056 /nfs/dbraw/zinc/30/20/56/895302056.db2.gz IMXFTYUAPSDDNI-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001366386982 895304238 /nfs/dbraw/zinc/30/42/38/895304238.db2.gz YTLSLXVLVSVLKH-MNOVXSKESA-N 2 0 270.377 -0.737 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001366386983 895307234 /nfs/dbraw/zinc/30/72/34/895307234.db2.gz YTLSLXVLVSVLKH-QWRGUYRKSA-N 2 0 270.377 -0.737 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001366396817 895309703 /nfs/dbraw/zinc/30/97/03/895309703.db2.gz XMRCNYCWMRGZQW-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001366408371 895314168 /nfs/dbraw/zinc/31/41/68/895314168.db2.gz XTOXUPDPOQTBFR-LBPRGKRZSA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nnnn1C ZINC001366436689 895320988 /nfs/dbraw/zinc/32/09/88/895320988.db2.gz ATIYYJOSZLQVOE-WDEREUQCSA-N 2 0 295.391 -0.711 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nnnn1C ZINC001366436688 895321787 /nfs/dbraw/zinc/32/17/87/895321787.db2.gz ATIYYJOSZLQVOE-QWRGUYRKSA-N 2 0 295.391 -0.711 20 0 CBADRP C[C@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(N)=O ZINC001366472115 895328377 /nfs/dbraw/zinc/32/83/77/895328377.db2.gz JJAKIRBPRCSRSY-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP CCN1CC[C@H](N(C)CCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001366522420 895353925 /nfs/dbraw/zinc/35/39/25/895353925.db2.gz XWJVJOSMFIGZCL-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001366550689 895378531 /nfs/dbraw/zinc/37/85/31/895378531.db2.gz PHAFDTOECUPYPN-ZDUSSCGKSA-N 2 0 299.415 -0.330 20 0 CBADRP C[N@H+](CCNC(=O)C[NH+]1CCCC1)CCn1cncn1 ZINC001366586943 895396542 /nfs/dbraw/zinc/39/65/42/895396542.db2.gz MBTQOWBMUFECRD-UHFFFAOYSA-N 2 0 280.376 -0.578 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[N@H+](C)CCn1cncn1)[NH+](C)C ZINC001366583182 895396987 /nfs/dbraw/zinc/39/69/87/895396987.db2.gz BYBIVEQAKPUSPV-ZDUSSCGKSA-N 2 0 296.419 -0.088 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]1CCNC1=O ZINC001366618184 895409709 /nfs/dbraw/zinc/40/97/09/895409709.db2.gz XNAQBYJBMZWDCO-OLZOCXBDSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)[C@@H](C)N1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001366674800 895426330 /nfs/dbraw/zinc/42/63/30/895426330.db2.gz IQDNVCJOJXZJHT-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001366663620 895426829 /nfs/dbraw/zinc/42/68/29/895426829.db2.gz BCIVKFZUSGGXPN-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+][C@H]1CCCN(C)C1=O ZINC001366776207 895459786 /nfs/dbraw/zinc/45/97/86/895459786.db2.gz RSQGVLXKCPVYHY-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001366871689 895471178 /nfs/dbraw/zinc/47/11/78/895471178.db2.gz OZWDPOVGNPYPAO-NWDGAFQWSA-N 2 0 293.371 -0.463 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001366871707 895474412 /nfs/dbraw/zinc/47/44/12/895474412.db2.gz OZWDPOVGNPYPAO-VXGBXAGGSA-N 2 0 293.371 -0.463 20 0 CBADRP CC(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001366885913 895478688 /nfs/dbraw/zinc/47/86/88/895478688.db2.gz XOTRBDGWJQTWMF-TZMCWYRMSA-N 2 0 298.431 -0.162 20 0 CBADRP COC[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001366963100 895509881 /nfs/dbraw/zinc/50/98/81/895509881.db2.gz MXCILJWHSZVGRR-KWCYVHTRSA-N 2 0 299.415 -0.618 20 0 CBADRP COC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001367001028 895522050 /nfs/dbraw/zinc/52/20/50/895522050.db2.gz VTEMQMXBHGENPT-ZOBORPQBSA-N 2 0 297.399 -0.770 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)NC ZINC001367106308 895566726 /nfs/dbraw/zinc/56/67/26/895566726.db2.gz SGOPRTVOIYDJPI-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(N)=O ZINC001367128807 895570997 /nfs/dbraw/zinc/57/09/97/895570997.db2.gz RTXDFRZHGYOVAW-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H](C)C(N)=O ZINC001367145310 895573218 /nfs/dbraw/zinc/57/32/18/895573218.db2.gz XTFQOCWERMGKFX-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H]1CCNC1=O ZINC001367138728 895574375 /nfs/dbraw/zinc/57/43/75/895574375.db2.gz MHKXYPOTXLLQNS-RYUDHWBXSA-N 2 0 294.399 -0.545 20 0 CBADRP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001367140988 895575285 /nfs/dbraw/zinc/57/52/85/895575285.db2.gz OMORALKWSHWAAI-NWDGAFQWSA-N 2 0 294.403 -0.249 20 0 CBADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001367140990 895576004 /nfs/dbraw/zinc/57/60/04/895576004.db2.gz OMORALKWSHWAAI-VXGBXAGGSA-N 2 0 294.403 -0.249 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001367201727 895582129 /nfs/dbraw/zinc/58/21/29/895582129.db2.gz QICHANAOQFQKFZ-JHJVBQTASA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(N)=O)C1 ZINC001367263471 895599620 /nfs/dbraw/zinc/59/96/20/895599620.db2.gz CQRQOERFXNOFOW-QWHCGFSZSA-N 2 0 298.431 -0.064 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H](C)c1nnnn1C ZINC001367267901 895600044 /nfs/dbraw/zinc/60/00/44/895600044.db2.gz FWMNQNQICGJRKU-MNOVXSKESA-N 2 0 297.407 -0.435 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001367281800 895602071 /nfs/dbraw/zinc/60/20/71/895602071.db2.gz AMQIPHLXOGNACZ-STQMWFEESA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]CC(N)=O ZINC001367268137 895602672 /nfs/dbraw/zinc/60/26/72/895602672.db2.gz HHVZPLSWEWICIN-JTQLQIEISA-N 2 0 270.377 -0.845 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001367369316 895627197 /nfs/dbraw/zinc/62/71/97/895627197.db2.gz VQEGSYKKBRYYAO-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]CC(N)=O ZINC001367456392 895638099 /nfs/dbraw/zinc/63/80/99/895638099.db2.gz YSYXTSSXHOQANO-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC(N)=O)CCC1 ZINC001367558104 895663137 /nfs/dbraw/zinc/66/31/37/895663137.db2.gz BRDUZPJNQRXYEP-VXGBXAGGSA-N 2 0 296.415 -0.170 20 0 CBADRP Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)cn1 ZINC001367600159 895694060 /nfs/dbraw/zinc/69/40/60/895694060.db2.gz IWEGOHYKALFBJJ-ZDUSSCGKSA-N 2 0 295.387 -0.697 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnoc1C)[NH+](C)C ZINC001367622396 895708134 /nfs/dbraw/zinc/70/81/34/895708134.db2.gz MSJYWUYVMZSRNN-STQMWFEESA-N 2 0 298.387 -0.110 20 0 CBADRP COC[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001367620868 895710247 /nfs/dbraw/zinc/71/02/47/895710247.db2.gz CHQWWFJVJMRIAE-NEPJUHHUSA-N 2 0 273.377 -0.816 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367662199 895729598 /nfs/dbraw/zinc/72/95/98/895729598.db2.gz FFMDEWYWGAKYEE-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)CC[NH+](C)C ZINC001367695611 895749574 /nfs/dbraw/zinc/74/95/74/895749574.db2.gz JIUUEXBCNREVTM-MNOVXSKESA-N 2 0 272.393 -0.491 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001367693375 895749779 /nfs/dbraw/zinc/74/97/79/895749779.db2.gz RQUOKEPBSUGETQ-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CCN(CC)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367711114 895760383 /nfs/dbraw/zinc/76/03/83/895760383.db2.gz DVOLZKQCBDFTFW-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001367714518 895761895 /nfs/dbraw/zinc/76/18/95/895761895.db2.gz JFQXHAZMVKGBMK-MNOVXSKESA-N 2 0 272.393 -0.445 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001367731492 895774650 /nfs/dbraw/zinc/77/46/50/895774650.db2.gz MOINALDMTDFAEL-QJPTWQEYSA-N 2 0 284.404 -0.491 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001367739176 895783071 /nfs/dbraw/zinc/78/30/71/895783071.db2.gz GNUKMBMUQXHHCN-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001367751652 895783331 /nfs/dbraw/zinc/78/33/31/895783331.db2.gz PQMFNGJWOYNJGK-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001367753368 895789320 /nfs/dbraw/zinc/78/93/20/895789320.db2.gz IEAUKSMJZZSOKE-NSHDSACASA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H](C[NH2+]C[C@H]1CCNC(=O)CC1)NC(=O)CC[NH+](C)C ZINC001367752218 895789776 /nfs/dbraw/zinc/78/97/76/895789776.db2.gz FVDTWNKZSPBHJG-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001367769932 895800667 /nfs/dbraw/zinc/80/06/67/895800667.db2.gz CETNONCZYPRJCH-RYUDHWBXSA-N 2 0 285.388 -0.816 20 0 CBADRP C[C@H](C[N@H+](C)[C@@H]1CCCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001367827537 895822508 /nfs/dbraw/zinc/82/25/08/895822508.db2.gz AAEHKDFCIMTRAG-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001367922319 895855009 /nfs/dbraw/zinc/85/50/09/895855009.db2.gz UIQHARNKNFJUSZ-STQMWFEESA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+]1CCC(OCC(=O)NC[C@@H]2CC[N@@H+]2CCCO)CC1 ZINC001367968479 895873715 /nfs/dbraw/zinc/87/37/15/895873715.db2.gz NHJZOQJYPKSSSW-ZDUSSCGKSA-N 2 0 299.415 -0.330 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(=O)N(C)C ZINC001367993907 895881785 /nfs/dbraw/zinc/88/17/85/895881785.db2.gz XETPRPIJVQPCGW-NEPJUHHUSA-N 2 0 296.415 -0.204 20 0 CBADRP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001368009929 895889621 /nfs/dbraw/zinc/88/96/21/895889621.db2.gz ADKNLZRCYQYYNK-CHWSQXEVSA-N 2 0 299.415 -0.284 20 0 CBADRP CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001368014015 895890718 /nfs/dbraw/zinc/89/07/18/895890718.db2.gz NBKNPGGXTWHXKA-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1)C(N)=O ZINC001368014739 895892615 /nfs/dbraw/zinc/89/26/15/895892615.db2.gz QANVARBVSPEZOS-NEPJUHHUSA-N 2 0 296.415 -0.027 20 0 CBADRP COC[C@H](O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001368033279 895896002 /nfs/dbraw/zinc/89/60/02/895896002.db2.gz IEGLNGVZJQRDGS-GFCCVEGCSA-N 2 0 285.388 -0.672 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC)[NH+](C)C ZINC001368155493 895924344 /nfs/dbraw/zinc/92/43/44/895924344.db2.gz DZOZHPCRDTYKFO-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001368198587 895933127 /nfs/dbraw/zinc/93/31/27/895933127.db2.gz XFTKGUZBTFRDFY-SMDDNHRTSA-N 2 0 284.404 -0.360 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001368222661 895935902 /nfs/dbraw/zinc/93/59/02/895935902.db2.gz FUGSSKCKSAOGGS-LBPRGKRZSA-N 2 0 285.388 -0.672 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCCO)C1 ZINC001368244166 895937011 /nfs/dbraw/zinc/93/70/11/895937011.db2.gz IGIOXEPGUXMPEK-GXTWGEPZSA-N 2 0 285.388 -0.984 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCCO)C1 ZINC001368244172 895939211 /nfs/dbraw/zinc/93/92/11/895939211.db2.gz IGIOXEPGUXMPEK-OCCSQVGLSA-N 2 0 285.388 -0.984 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC1([NH2+]CCO)CCOCC1 ZINC001368240448 895941475 /nfs/dbraw/zinc/94/14/75/895941475.db2.gz NOFZAGAXFSGUMW-UHFFFAOYSA-N 2 0 285.388 -0.671 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@@]2(O)CC[N@H+](CCCO)C2)CC1 ZINC001368267500 895953062 /nfs/dbraw/zinc/95/30/62/895953062.db2.gz WCMUZOWTICKLOV-HNNXBMFYSA-N 2 0 299.415 -0.736 20 0 CBADRP COCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001368266502 895953443 /nfs/dbraw/zinc/95/34/43/895953443.db2.gz NLHKSGSFIBIIGN-ZFWWWQNUSA-N 2 0 299.415 -0.330 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]CC(=O)NC)CCC1 ZINC001368493852 896018343 /nfs/dbraw/zinc/01/83/43/896018343.db2.gz QIIIATWHVJOKIE-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[C@H](C(=O)NCC1([NH2+]CC(=O)NC)CCC1)[NH+](C)C ZINC001368475802 896018515 /nfs/dbraw/zinc/01/85/15/896018515.db2.gz LXFIWAABVOBGIW-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001368521181 896026622 /nfs/dbraw/zinc/02/66/22/896026622.db2.gz KBIRWIPMIZSFRM-LPWJVIDDSA-N 2 0 296.415 -0.314 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001368631541 896052257 /nfs/dbraw/zinc/05/22/57/896052257.db2.gz NXOGVTFIKWKMSB-CQSZACIVSA-N 2 0 287.404 -0.736 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC(N)=O ZINC001368723699 896066883 /nfs/dbraw/zinc/06/68/83/896066883.db2.gz VCZGTCPMIQRTPH-JQWIXIFHSA-N 2 0 282.388 -0.702 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001368732276 896071272 /nfs/dbraw/zinc/07/12/72/896071272.db2.gz RNZGTALZWLYPRE-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001368818217 896086863 /nfs/dbraw/zinc/08/68/63/896086863.db2.gz XNQNQZCQHVNWTQ-WXRRBKDZSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)CCCC(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001368819746 896087101 /nfs/dbraw/zinc/08/71/01/896087101.db2.gz CDSCWWLIOPUNOL-UHFFFAOYSA-N 2 0 270.377 -0.702 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001368807803 896087693 /nfs/dbraw/zinc/08/76/93/896087693.db2.gz JFDQVKBIFKIUPB-BPCQOVAHSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)[NH2+]CC(N)=O ZINC001368887584 896106861 /nfs/dbraw/zinc/10/68/61/896106861.db2.gz LCWMIPNKKYHOGC-VXGBXAGGSA-N 2 0 284.404 -0.314 20 0 CBADRP CCN1CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C)C1=O ZINC001369275210 896184692 /nfs/dbraw/zinc/18/46/92/896184692.db2.gz IUTZRTQMLAOCML-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCF ZINC001369349084 896230830 /nfs/dbraw/zinc/23/08/30/896230830.db2.gz WVAOCNGDECUVKK-NEPJUHHUSA-N 2 0 275.368 -0.103 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCF ZINC001369349091 896230984 /nfs/dbraw/zinc/23/09/84/896230984.db2.gz WVAOCNGDECUVKK-NWDGAFQWSA-N 2 0 275.368 -0.103 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1cccnc1 ZINC001369371259 896244431 /nfs/dbraw/zinc/24/44/31/896244431.db2.gz GJOKBAXGCIWQEG-CQSZACIVSA-N 2 0 294.399 -0.012 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H]1C ZINC001369395224 896254674 /nfs/dbraw/zinc/25/46/74/896254674.db2.gz RUFAAQYLRIYMLR-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC)C(C)(C)C1 ZINC001369451384 896274116 /nfs/dbraw/zinc/27/41/16/896274116.db2.gz XJZSRHKGLZVPJF-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)(C)[C@H](C[NH2+]CC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001369557909 896319343 /nfs/dbraw/zinc/31/93/43/896319343.db2.gz YCSZFTFVYYSJST-NSHDSACASA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)N(C)C(=O)CC[NH+](C)C ZINC001369841010 896345997 /nfs/dbraw/zinc/34/59/97/896345997.db2.gz REXSPFZARZTEMX-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001370548999 896440351 /nfs/dbraw/zinc/44/03/51/896440351.db2.gz RKFGEVLAOZVFJE-SRVKXCTJSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1)[NH+](C)C ZINC001370649867 896462512 /nfs/dbraw/zinc/46/25/12/896462512.db2.gz MZTYDNYSECYPKG-NTZNESFSSA-N 2 0 294.403 -0.108 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001370702422 896483750 /nfs/dbraw/zinc/48/37/50/896483750.db2.gz HZOSGIITOJKLJG-TXEJJXNPSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC)C1)[NH+](C)C ZINC001370709797 896483896 /nfs/dbraw/zinc/48/38/96/896483896.db2.gz DSOKNHAILLANRG-WISYIIOYSA-N 2 0 284.404 -0.302 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001371138772 896554390 /nfs/dbraw/zinc/55/43/90/896554390.db2.gz JHMOFLIJBPWGKP-JQWIXIFHSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001371138773 896556948 /nfs/dbraw/zinc/55/69/48/896556948.db2.gz JHMOFLIJBPWGKP-PWSUYJOCSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001371341632 896592886 /nfs/dbraw/zinc/59/28/86/896592886.db2.gz CIGVAPRCRBNYNX-RYUDHWBXSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001371341628 896595135 /nfs/dbraw/zinc/59/51/35/896595135.db2.gz CIGVAPRCRBNYNX-NEPJUHHUSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CCN1CCCC1=O ZINC001371351877 896598473 /nfs/dbraw/zinc/59/84/73/896598473.db2.gz RXJRPWHYSDIIDH-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)C(=O)NC ZINC001371424399 896604806 /nfs/dbraw/zinc/60/48/06/896604806.db2.gz IBJIYAPOZZHYQM-GHMZBOCLSA-N 2 0 272.393 -0.443 20 0 CBADRP CC(C)CNC(=O)C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001371468360 896616329 /nfs/dbraw/zinc/61/63/29/896616329.db2.gz GZTZKKCPBVYGFH-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001371471173 896616564 /nfs/dbraw/zinc/61/65/64/896616564.db2.gz JSSOGWVYPABLLK-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001371472961 896619669 /nfs/dbraw/zinc/61/96/69/896619669.db2.gz HZAPHAAPDVTCHW-TZMCWYRMSA-N 2 0 298.431 -0.053 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001371582791 896640846 /nfs/dbraw/zinc/64/08/46/896640846.db2.gz MCMSQRJZZQNGME-BFHYXJOUSA-N 2 0 299.415 -0.474 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001371608836 896641895 /nfs/dbraw/zinc/64/18/95/896641895.db2.gz ADMLTCBSMKQMHE-ZDUSSCGKSA-N 2 0 298.431 -0.147 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001371612082 896645102 /nfs/dbraw/zinc/64/51/02/896645102.db2.gz FJQWSBNULUWPBR-OLZOCXBDSA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001371736276 896657040 /nfs/dbraw/zinc/65/70/40/896657040.db2.gz UTXRAQQIRGAVBI-WCQYABFASA-N 2 0 294.403 -0.106 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C ZINC001371827889 896668013 /nfs/dbraw/zinc/66/80/13/896668013.db2.gz OQVUUBCFCSCEBT-GHMZBOCLSA-N 2 0 272.393 -0.443 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001371876333 896673803 /nfs/dbraw/zinc/67/38/03/896673803.db2.gz HROISEVUYMYQGM-NEPJUHHUSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001371876652 896674320 /nfs/dbraw/zinc/67/43/20/896674320.db2.gz IRYRARLSJDLQTD-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001372037601 896715542 /nfs/dbraw/zinc/71/55/42/896715542.db2.gz AJMVXLQRUZQTSL-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001372556451 896805708 /nfs/dbraw/zinc/80/57/08/896805708.db2.gz ZUCFNDKRGNEIAQ-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP CN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001372547399 896806863 /nfs/dbraw/zinc/80/68/63/896806863.db2.gz DQQPOECFDVMXQR-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1CC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001372631449 896831218 /nfs/dbraw/zinc/83/12/18/896831218.db2.gz XDUDTPBHROOWEW-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001372674151 896834428 /nfs/dbraw/zinc/83/44/28/896834428.db2.gz ZEMCRKIWDITQSB-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001372943778 896908207 /nfs/dbraw/zinc/90/82/07/896908207.db2.gz HVWHEEASGAXUEU-LLVKDONJSA-N 2 0 284.404 -0.489 20 0 CBADRP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)C[N@H+](C)CC(C)(C)C ZINC001372942621 896908892 /nfs/dbraw/zinc/90/88/92/896908892.db2.gz GMANDKMGEZWCRW-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)C(N)=O ZINC001372940702 896909279 /nfs/dbraw/zinc/90/92/79/896909279.db2.gz ZQRVNZGJLGAANH-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)CC[NH+](C)C ZINC001372984237 896921395 /nfs/dbraw/zinc/92/13/95/896921395.db2.gz MXFJHSQQPRPUQJ-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001373615113 897072252 /nfs/dbraw/zinc/07/22/52/897072252.db2.gz NQOWIXFBHZRZDR-QWHCGFSZSA-N 2 0 285.388 -0.720 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001373683263 897094283 /nfs/dbraw/zinc/09/42/83/897094283.db2.gz NQOWIXFBHZRZDR-OLZOCXBDSA-N 2 0 285.388 -0.720 20 0 CBADRP CCN(C(=O)CC[N@H+](C)CC)[C@H]1CCN(CC(=O)NC)C1 ZINC001373709827 897100072 /nfs/dbraw/zinc/10/00/72/897100072.db2.gz IZQHJCALUZUBTJ-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCNC1=O ZINC001373825787 897129960 /nfs/dbraw/zinc/12/99/60/897129960.db2.gz PXKDWDRULUSTGR-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CC(N)=O)CCCC1 ZINC001373844105 897130094 /nfs/dbraw/zinc/13/00/94/897130094.db2.gz UTBDAEQLZAWJQK-LLVKDONJSA-N 2 0 282.388 -0.416 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CC(N)=O)CCCC1 ZINC001373844106 897131039 /nfs/dbraw/zinc/13/10/39/897131039.db2.gz UTBDAEQLZAWJQK-NSHDSACASA-N 2 0 282.388 -0.416 20 0 CBADRP C[NH+](C)CCC(=O)N[C@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001373887807 897133213 /nfs/dbraw/zinc/13/32/13/897133213.db2.gz CCUOZYQXHIUQPB-CYBMUJFWSA-N 2 0 270.377 -0.702 20 0 CBADRP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O)[NH+](C)C ZINC001374285579 897204384 /nfs/dbraw/zinc/20/43/84/897204384.db2.gz SCMDQQJDTLNGLR-CMPLNLGQSA-N 2 0 272.393 -0.506 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O)[NH+](C)C ZINC001374322642 897209820 /nfs/dbraw/zinc/20/98/20/897209820.db2.gz SCMDQQJDTLNGLR-PWSUYJOCSA-N 2 0 272.393 -0.506 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1)C(N)=O ZINC001374324955 897210188 /nfs/dbraw/zinc/21/01/88/897210188.db2.gz GXWTXSJXASCTDD-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP CC(C)[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(N)=O ZINC001374424004 897223496 /nfs/dbraw/zinc/22/34/96/897223496.db2.gz GFRKRMBCOBTAOO-GFCCVEGCSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](CC[NH2+][C@H](C)C(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001374704701 897349199 /nfs/dbraw/zinc/34/91/99/897349199.db2.gz ODUXMMSAVJNCKL-GHMZBOCLSA-N 2 0 284.404 -0.314 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001374756459 897374912 /nfs/dbraw/zinc/37/49/12/897374912.db2.gz NOIZIQSXHFLFTC-BNOWGMLFSA-N 2 0 299.415 -0.570 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001374773248 897385345 /nfs/dbraw/zinc/38/53/45/897385345.db2.gz XPXGLNOFUWKHIK-VXGBXAGGSA-N 2 0 287.404 -0.428 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001374811713 897399663 /nfs/dbraw/zinc/39/96/63/897399663.db2.gz RLZFAWMQEFCYNR-YPMHNXCESA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](C[NH2+]C[C@H]1CCNC(=O)CC1)NC(=O)CC[NH+](C)C ZINC001374810676 897399901 /nfs/dbraw/zinc/39/99/01/897399901.db2.gz FVDTWNKZSPBHJG-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001374833661 897408975 /nfs/dbraw/zinc/40/89/75/897408975.db2.gz GBANBHAZNIOLEZ-GFCCVEGCSA-N 2 0 294.399 -0.591 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC)CC[N@@H+]1C ZINC001374888593 897422608 /nfs/dbraw/zinc/42/26/08/897422608.db2.gz DSWJMINKDNNYBZ-SDDRHHMPSA-N 2 0 284.404 -0.443 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001374889804 897424741 /nfs/dbraw/zinc/42/47/41/897424741.db2.gz NOIZIQSXHFLFTC-IACUBPJLSA-N 2 0 299.415 -0.570 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(N)=O)C1 ZINC001374928362 897433197 /nfs/dbraw/zinc/43/31/97/897433197.db2.gz NPQXEPLDZKHUBB-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001374962902 897442518 /nfs/dbraw/zinc/44/25/18/897442518.db2.gz NIOJNEASZRQAHN-AAEUAGOBSA-N 2 0 286.420 -0.245 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)CC[N@@H+]1C ZINC001375225817 897498409 /nfs/dbraw/zinc/49/84/09/897498409.db2.gz TZMJRJKBCCZOAT-YUSALJHKSA-N 2 0 282.388 -0.704 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001375274275 897505759 /nfs/dbraw/zinc/50/57/59/897505759.db2.gz RSEWTIZTPJONFR-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001375435657 897542875 /nfs/dbraw/zinc/54/28/75/897542875.db2.gz JEMGTTXPZQZUHK-NWDGAFQWSA-N 2 0 294.399 -0.273 20 0 CBADRP CC(C)[C@@H](C(=O)NCC1([NH2+][C@H](C)C(N)=O)CC1)[NH+](C)C ZINC001375433348 897544795 /nfs/dbraw/zinc/54/47/95/897544795.db2.gz OYKSCFCOJMQUEW-MNOVXSKESA-N 2 0 284.404 -0.315 20 0 CBADRP CC[C@@H]([NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1)C(N)=O ZINC001375489730 897551511 /nfs/dbraw/zinc/55/15/11/897551511.db2.gz HBZFWJAGWBXBRR-NWDGAFQWSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@H]([NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1)C(N)=O ZINC001375489726 897553571 /nfs/dbraw/zinc/55/35/71/897553571.db2.gz HBZFWJAGWBXBRR-NEPJUHHUSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)CCC1 ZINC001375540417 897561806 /nfs/dbraw/zinc/56/18/06/897561806.db2.gz YMNDDSUTDSPZGP-XYPYZODXSA-N 2 0 282.388 -0.560 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001375558392 897566124 /nfs/dbraw/zinc/56/61/24/897566124.db2.gz SRNWWFQWDRVPFT-JHJVBQTASA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001375574219 897570746 /nfs/dbraw/zinc/57/07/46/897570746.db2.gz GGSQGESYKNKNRB-YNEHKIRRSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C)C(N)=O ZINC001375766479 897602572 /nfs/dbraw/zinc/60/25/72/897602572.db2.gz VVTSYXOTGSOEBT-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001375759110 897603032 /nfs/dbraw/zinc/60/30/32/897603032.db2.gz ZEHTVWFYQJPGHF-WCQYABFASA-N 2 0 296.415 -0.075 20 0 CBADRP COCC[N@@H+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001376097497 897651772 /nfs/dbraw/zinc/65/17/72/897651772.db2.gz URNHMVGCVAYPJX-ZFWWWQNUSA-N 2 0 299.415 -0.472 20 0 CBADRP CC[C@H](C(=O)NC[C@@]1(O)CC[N@H+](CCOC)C1)[NH+](C)C ZINC001376100122 897653050 /nfs/dbraw/zinc/65/30/50/897653050.db2.gz ZSPPETSDOXMCHJ-OCCSQVGLSA-N 2 0 287.404 -0.474 20 0 CBADRP CN1CC[C@@H](N2CC[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001376156535 897675160 /nfs/dbraw/zinc/67/51/60/897675160.db2.gz VHUVAKHEVHSNAT-NWDGAFQWSA-N 2 0 282.388 -0.641 20 0 CBADRP C[C@H](C(=O)N(C)C)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001376151049 897675899 /nfs/dbraw/zinc/67/58/99/897675899.db2.gz LTCJHXLNJZNXOP-VXGBXAGGSA-N 2 0 284.404 -0.395 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001376156787 897677204 /nfs/dbraw/zinc/67/72/04/897677204.db2.gz MNWREPYLDUFFCW-OLZOCXBDSA-N 2 0 287.404 -0.476 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]([NH2+][C@H](C)C(N)=O)C1CC1 ZINC001376276679 897703321 /nfs/dbraw/zinc/70/33/21/897703321.db2.gz KHKBJYAZCWIBEV-ZYHUDNBSSA-N 2 0 284.404 -0.315 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376363133 897719936 /nfs/dbraw/zinc/71/99/36/897719936.db2.gz AUEIXGUJUVAXQU-IJLUTSLNSA-N 2 0 296.415 -0.158 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001376386839 897722931 /nfs/dbraw/zinc/72/29/31/897722931.db2.gz BSJHSUJAYKGMLD-NWDGAFQWSA-N 2 0 273.377 -0.864 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1 ZINC001376418244 897731150 /nfs/dbraw/zinc/73/11/50/897731150.db2.gz NWRUOVDNXIMDDQ-TXEJJXNPSA-N 2 0 282.388 -0.796 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001376458339 897741784 /nfs/dbraw/zinc/74/17/84/897741784.db2.gz ACARQWULGIABFD-FRRDWIJNSA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001376458349 897741966 /nfs/dbraw/zinc/74/19/66/897741966.db2.gz ACARQWULGIABFD-XQQFMLRXSA-N 2 0 296.415 -0.156 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001376470738 897751124 /nfs/dbraw/zinc/75/11/24/897751124.db2.gz UHANCAGGYSLMJB-RQJABVFESA-N 2 0 299.415 -0.285 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001376488494 897757719 /nfs/dbraw/zinc/75/77/19/897757719.db2.gz GCRDZPKAOJQRLE-IGQOVBAYSA-N 2 0 299.415 -0.428 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001376512599 897764350 /nfs/dbraw/zinc/76/43/50/897764350.db2.gz OBTIGVFHOMMPTD-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001376609650 897784723 /nfs/dbraw/zinc/78/47/23/897784723.db2.gz LRUNNKWCQXGZLI-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N(C)C1CC1 ZINC001376696011 897810044 /nfs/dbraw/zinc/81/00/44/897810044.db2.gz CBMFZIUQAXOOGN-YPMHNXCESA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N(C)C1CC1 ZINC001376696003 897811391 /nfs/dbraw/zinc/81/13/91/897811391.db2.gz CBMFZIUQAXOOGN-AAEUAGOBSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001376735042 897827293 /nfs/dbraw/zinc/82/72/93/897827293.db2.gz WUTJQVBRCFWVET-OUAUKWLOSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cnnn1C ZINC001376737826 897828712 /nfs/dbraw/zinc/82/87/12/897828712.db2.gz FFDCKDOBGKEUNG-LLVKDONJSA-N 2 0 294.403 -0.106 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001376735104 897828739 /nfs/dbraw/zinc/82/87/39/897828739.db2.gz XEZAPWOJOGCASO-YNEHKIRRSA-N 2 0 298.431 -0.055 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cnnn1C ZINC001376767237 897840445 /nfs/dbraw/zinc/84/04/45/897840445.db2.gz UKXNDPTZEUEPCK-AAEUAGOBSA-N 2 0 294.403 -0.106 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001376788616 897846466 /nfs/dbraw/zinc/84/64/66/897846466.db2.gz CTIXSHFHPZSDGZ-AVGNSLFASA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@@H]1CCCNC1=O ZINC001376809558 897852873 /nfs/dbraw/zinc/85/28/73/897852873.db2.gz WBWNCPVBADWJCQ-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001376804586 897853702 /nfs/dbraw/zinc/85/37/02/897853702.db2.gz CWJXQSLXQGNHMO-QWRGUYRKSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001376851612 897866961 /nfs/dbraw/zinc/86/69/61/897866961.db2.gz DRBREARTLIRACS-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001376851607 897868765 /nfs/dbraw/zinc/86/87/65/897868765.db2.gz DRBREARTLIRACS-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC1CC1 ZINC001376880107 897879598 /nfs/dbraw/zinc/87/95/98/897879598.db2.gz KOPZIWPFUIAQOP-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001376885403 897879911 /nfs/dbraw/zinc/87/99/11/897879911.db2.gz RXIHGMRYZHWODE-QWRGUYRKSA-N 2 0 280.376 -0.639 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001376948563 897899832 /nfs/dbraw/zinc/89/98/32/897899832.db2.gz OSOVWWDFJCXCMP-WDEREUQCSA-N 2 0 270.377 -0.750 20 0 CBADRP C[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001376944370 897900950 /nfs/dbraw/zinc/90/09/50/897900950.db2.gz SLCBAMCOQNWIGY-NSHDSACASA-N 2 0 282.388 -0.748 20 0 CBADRP CN(CCC[N@H+](C)CC(=O)N1CCC1)C(=O)CC[NH+](C)C ZINC001376969671 897905002 /nfs/dbraw/zinc/90/50/02/897905002.db2.gz AZEYLUYEVSSOSR-UHFFFAOYSA-N 2 0 298.431 -0.049 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001377020675 897913616 /nfs/dbraw/zinc/91/36/16/897913616.db2.gz REBBTEJXBAJDIV-VXGBXAGGSA-N 2 0 284.404 -0.408 20 0 CBADRP CN(CCC[N@H+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001377017348 897914216 /nfs/dbraw/zinc/91/42/16/897914216.db2.gz IWEKGEYAENNJQV-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC)CC[N@@H+]1C ZINC001377026494 897914583 /nfs/dbraw/zinc/91/45/83/897914583.db2.gz ULOCBWFHWYNNGB-FRRDWIJNSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001377077307 897926663 /nfs/dbraw/zinc/92/66/63/897926663.db2.gz WSKNOUAJHPFUTR-DGCLKSJQSA-N 2 0 286.420 -0.197 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001377126747 897935180 /nfs/dbraw/zinc/93/51/80/897935180.db2.gz DTGIMTXETGQHOB-NWDGAFQWSA-N 2 0 273.377 -0.864 20 0 CBADRP O=C(N1CCC[C@](CO)([NH2+]CCO)C1)C12CC[NH+](CC1)C2 ZINC001377177480 897960140 /nfs/dbraw/zinc/96/01/40/897960140.db2.gz WMIQVYLUNRNWQE-HNNXBMFYSA-N 2 0 297.399 -0.982 20 0 CBADRP CC[C@@H](C(=O)NCC[N@H+](CC)[C@@H]1CCNC1=O)[NH+](C)C ZINC001377338973 898014169 /nfs/dbraw/zinc/01/41/69/898014169.db2.gz WHGFCPYWVAITRW-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001377414082 898038273 /nfs/dbraw/zinc/03/82/73/898038273.db2.gz GGXUSQZUXRUPGB-ZIAGYGMSSA-N 2 0 299.415 -0.330 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001377456150 898052622 /nfs/dbraw/zinc/05/26/22/898052622.db2.gz SPJMBGIEGFQAKT-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001377470611 898057054 /nfs/dbraw/zinc/05/70/54/898057054.db2.gz IVEKTGGAPVOYMI-ZIAGYGMSSA-N 2 0 299.415 -0.472 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(CO)CC[NH+](CCO)CC1 ZINC001377551806 898079020 /nfs/dbraw/zinc/07/90/20/898079020.db2.gz QRWCXFGXWKBBKT-GFCCVEGCSA-N 2 0 285.388 -0.984 20 0 CBADRP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001377578308 898093893 /nfs/dbraw/zinc/09/38/93/898093893.db2.gz GACQEIOCKMFCEX-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001377589120 898096962 /nfs/dbraw/zinc/09/69/62/898096962.db2.gz HOLKWQXSMCLVJQ-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)CC[NH2+][C@H]1CCCNC1=O ZINC001377589838 898098904 /nfs/dbraw/zinc/09/89/04/898098904.db2.gz CIWXYKSLZNGESV-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC(C)[C@H](C(=O)N(C)CC[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001377588449 898100196 /nfs/dbraw/zinc/10/01/96/898100196.db2.gz ILLVCDPHRTXLKN-NWDGAFQWSA-N 2 0 284.404 -0.491 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001377598868 898101600 /nfs/dbraw/zinc/10/16/00/898101600.db2.gz DJKPIGSRWMLRAA-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CCC[NH+](C)C ZINC001377952903 898177416 /nfs/dbraw/zinc/17/74/16/898177416.db2.gz JFROTESLBHCSLI-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP COC[C@@H](O)C[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001377993448 898193318 /nfs/dbraw/zinc/19/33/18/898193318.db2.gz ABUZWIAJEPGCBG-OCCSQVGLSA-N 2 0 299.415 -0.617 20 0 CBADRP COC[C@@H](O)C[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001378013511 898196526 /nfs/dbraw/zinc/19/65/26/898196526.db2.gz AMHXPQOFDJCJSW-ZDUSSCGKSA-N 2 0 297.399 -0.863 20 0 CBADRP COC[C@H](O)C[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001378013510 898197856 /nfs/dbraw/zinc/19/78/56/898197856.db2.gz AMHXPQOFDJCJSW-CYBMUJFWSA-N 2 0 297.399 -0.863 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCN([C@@H](C)C(=O)N(C)C)C1 ZINC001378135022 898250790 /nfs/dbraw/zinc/25/07/90/898250790.db2.gz GEAVLVMUMLAGAA-QWHCGFSZSA-N 2 0 298.431 -0.006 20 0 CBADRP CNC(=O)CN1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001378138116 898251970 /nfs/dbraw/zinc/25/19/70/898251970.db2.gz YFOGMUCHOUUPQY-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378162587 898260459 /nfs/dbraw/zinc/26/04/59/898260459.db2.gz CJIGFMRJXXDWCC-OLZOCXBDSA-N 2 0 287.404 -0.522 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)C[NH+]1CCCC1 ZINC001454623551 914237122 /nfs/dbraw/zinc/23/71/22/914237122.db2.gz SEQCNTUENIFTLG-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)N(C)C ZINC001378261224 898295092 /nfs/dbraw/zinc/29/50/92/898295092.db2.gz XJIKRZFIUCSPEY-JHJVBQTASA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@@H](C)C(N)=O ZINC001378336618 898317780 /nfs/dbraw/zinc/31/77/80/898317780.db2.gz HXWZWMBBUCTCGY-WDEREUQCSA-N 2 0 272.393 -0.315 20 0 CBADRP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001378344195 898320463 /nfs/dbraw/zinc/32/04/63/898320463.db2.gz OZSWNOHVJOMSDZ-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001378519636 898340115 /nfs/dbraw/zinc/34/01/15/898340115.db2.gz SQTXVEQDRDKQDM-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001378516592 898342422 /nfs/dbraw/zinc/34/24/22/898342422.db2.gz YZBUGMPXQRCSQC-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001378583810 898358199 /nfs/dbraw/zinc/35/81/99/898358199.db2.gz VTIVWYIVBUOSRC-VXGBXAGGSA-N 2 0 286.420 -0.243 20 0 CBADRP C[C@H](CNC(=O)Cc1c[nH]cn1)C[NH2+][C@H]1CCCNC1=O ZINC001378614489 898370544 /nfs/dbraw/zinc/37/05/44/898370544.db2.gz PVXRKEJSZGVTQU-JQWIXIFHSA-N 2 0 293.371 -0.427 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001378643154 898378341 /nfs/dbraw/zinc/37/83/41/898378341.db2.gz JXWADJIEOPKLHE-CHWSQXEVSA-N 2 0 298.431 -0.242 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)NC)C[C@H]21 ZINC001378734773 898399208 /nfs/dbraw/zinc/39/92/08/898399208.db2.gz VJIVEWSBWDLGKA-XYYAHUGASA-N 2 0 296.415 -0.632 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001378780256 898408558 /nfs/dbraw/zinc/40/85/58/898408558.db2.gz AMSQXCRUEWRKCG-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(N)=O)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001378779556 898410653 /nfs/dbraw/zinc/41/06/53/898410653.db2.gz XCRZFOIIONZYGC-GHMZBOCLSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H]([NH2+]CCO)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001378790633 898411731 /nfs/dbraw/zinc/41/17/31/898411731.db2.gz KKPQVJOYSUOAGP-STQMWFEESA-N 2 0 285.388 -0.720 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001378852141 898424658 /nfs/dbraw/zinc/42/46/58/898424658.db2.gz KVQNWJVXTNLECB-SRVKXCTJSA-N 2 0 284.404 -0.443 20 0 CBADRP CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001378876829 898426917 /nfs/dbraw/zinc/42/69/17/898426917.db2.gz LUMVHGZQBMVQRH-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001378913789 898431005 /nfs/dbraw/zinc/43/10/05/898431005.db2.gz PYPHJZNXRABSHX-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001378971444 898437290 /nfs/dbraw/zinc/43/72/90/898437290.db2.gz WBEGQKUAUOIEOE-NEPJUHHUSA-N 2 0 284.404 -0.443 20 0 CBADRP C[NH+](C)CCC(=O)NCC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001379088195 898460685 /nfs/dbraw/zinc/46/06/85/898460685.db2.gz WGEJJPVMVJELAJ-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001379100295 898464947 /nfs/dbraw/zinc/46/49/47/898464947.db2.gz GGVFKSNGAVOXRQ-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP Cc1cncn1CC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001379182879 898493534 /nfs/dbraw/zinc/49/35/34/898493534.db2.gz ATPCWURWCIEELJ-CMPLNLGQSA-N 2 0 293.371 -0.483 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379278537 898534625 /nfs/dbraw/zinc/53/46/25/898534625.db2.gz QCSYEQRSWOZDAH-NWDGAFQWSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001379294063 898538974 /nfs/dbraw/zinc/53/89/74/898538974.db2.gz CHYQNVXIDGEECQ-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP COC[C@H](O)C[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001379332101 898555344 /nfs/dbraw/zinc/55/53/44/898555344.db2.gz YLSFCFZKTFXQAK-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001379350874 898568799 /nfs/dbraw/zinc/56/87/99/898568799.db2.gz XKWZMLHLFKARDN-GHMZBOCLSA-N 2 0 270.377 -0.737 20 0 CBADRP Cc1ccncc1C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001379468670 898625789 /nfs/dbraw/zinc/62/57/89/898625789.db2.gz NCSXEIVSJJEHRR-CQSZACIVSA-N 2 0 294.399 -0.092 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001379514079 898650124 /nfs/dbraw/zinc/65/01/24/898650124.db2.gz DEVZRRQAFUHEAV-UWVGGRQHSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001379536640 898662127 /nfs/dbraw/zinc/66/21/27/898662127.db2.gz STWVWTIDEGQLQK-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001379533365 898662435 /nfs/dbraw/zinc/66/24/35/898662435.db2.gz UQFAVUQURTZTBW-WDEREUQCSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(C)C)[NH+](C)C ZINC001379553492 898664589 /nfs/dbraw/zinc/66/45/89/898664589.db2.gz QZHNEKOBLQBRJC-RYUDHWBXSA-N 2 0 286.420 -0.055 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001379579722 898673164 /nfs/dbraw/zinc/67/31/64/898673164.db2.gz KWDSWMMUWRMIKW-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001379583070 898674824 /nfs/dbraw/zinc/67/48/24/898674824.db2.gz YPGDQPNUALEMNR-JTQLQIEISA-N 2 0 298.391 -0.956 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379600805 898677090 /nfs/dbraw/zinc/67/70/90/898677090.db2.gz QBRLNEREWCMRSR-SRVKXCTJSA-N 2 0 273.377 -0.960 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC001379735987 898711319 /nfs/dbraw/zinc/71/13/19/898711319.db2.gz UKOZNCYPVUSFMS-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP Cn1nncc1C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001379889205 898753707 /nfs/dbraw/zinc/75/37/07/898753707.db2.gz BRKQINOGFKMPTL-ZDUSSCGKSA-N 2 0 294.403 -0.249 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001379893785 898753818 /nfs/dbraw/zinc/75/38/18/898753818.db2.gz MQXAEBGPVPPIQR-ZDUSSCGKSA-N 2 0 296.415 -0.441 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001380027532 898791397 /nfs/dbraw/zinc/79/13/97/898791397.db2.gz SLPYHRRHUMRGFX-STQMWFEESA-N 2 0 297.399 -0.720 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001380087505 898804255 /nfs/dbraw/zinc/80/42/55/898804255.db2.gz CYNZJEWZJFGPAU-RYUDHWBXSA-N 2 0 298.431 -0.195 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001380081176 898804803 /nfs/dbraw/zinc/80/48/03/898804803.db2.gz CPEPOUNSLBZCNA-GFCCVEGCSA-N 2 0 296.415 -0.156 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1([NH2+][C@@H](C)C(N)=O)CC1 ZINC001380159916 898826945 /nfs/dbraw/zinc/82/69/45/898826945.db2.gz NTLGUWKQWCLERW-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP CC[C@@H](C(=O)NCC1([NH2+]CC(=O)N(C)C)CC1)[NH+](C)C ZINC001380160118 898827243 /nfs/dbraw/zinc/82/72/43/898827243.db2.gz KOQSDDBBOUAVCI-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001380180593 898832036 /nfs/dbraw/zinc/83/20/36/898832036.db2.gz ZRWGBLDPKCVSEJ-WXRRBKDZSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380350089 898861713 /nfs/dbraw/zinc/86/17/13/898861713.db2.gz CREYYEZIRGNODQ-DOMZBBRYSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001380502906 898879100 /nfs/dbraw/zinc/87/91/00/898879100.db2.gz FXQYSQPLQIACBZ-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001380539426 898895179 /nfs/dbraw/zinc/89/51/79/898895179.db2.gz UMRLWPKGGPRNGG-HIFRSBDPSA-N 2 0 299.415 -0.594 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001380562284 898900699 /nfs/dbraw/zinc/90/06/99/898900699.db2.gz BTYVIQIIELEIER-IUODEOHRSA-N 2 0 297.399 -0.984 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC(N)=O)CC2)C1 ZINC001380799592 898952833 /nfs/dbraw/zinc/95/28/33/898952833.db2.gz PSKSKTQMGXHJHM-JHJVBQTASA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(N)=O)CCC2)CC[N@@H+]1C ZINC001380859706 898962141 /nfs/dbraw/zinc/96/21/41/898962141.db2.gz XIHVLBRDWOBNLD-GHMZBOCLSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001380912034 898970472 /nfs/dbraw/zinc/97/04/72/898970472.db2.gz HNQOSGZMYMKUFX-TZMCWYRMSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)CC[N@@H+]1C ZINC001381045182 898988407 /nfs/dbraw/zinc/98/84/07/898988407.db2.gz NPUJXDGFQRIEOR-UMVBOHGHSA-N 2 0 299.415 -0.738 20 0 CBADRP C[C@H](O)C[NH2+]CC1(NC(=O)CC[NH+](C)C)CCOCC1 ZINC001381073327 898993298 /nfs/dbraw/zinc/99/32/98/898993298.db2.gz NMRXTNJEQHPBSX-LBPRGKRZSA-N 2 0 287.404 -0.426 20 0 CBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001381103551 898998607 /nfs/dbraw/zinc/99/86/07/898998607.db2.gz MUIKTAJVXPLBKQ-WCQYABFASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H]1CCNC1=O ZINC001381194346 899011191 /nfs/dbraw/zinc/01/11/91/899011191.db2.gz XTGGAOCZBPZSRT-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(CO)CC[NH+](CCCO)CC1 ZINC001381255152 899020744 /nfs/dbraw/zinc/02/07/44/899020744.db2.gz PDYSXIZICOJYGP-CYBMUJFWSA-N 2 0 299.415 -0.594 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1)C(N)=O ZINC001381274800 899021314 /nfs/dbraw/zinc/02/13/14/899021314.db2.gz QLOAWRDTACBODW-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001381322527 899031092 /nfs/dbraw/zinc/03/10/92/899031092.db2.gz AFHSNOFGPPGBIZ-BPCQOVAHSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CCn1cncn1 ZINC001381624901 899096666 /nfs/dbraw/zinc/09/66/66/899096666.db2.gz YSXFVAKJBDJLJI-CHWSQXEVSA-N 2 0 294.403 -0.334 20 0 CBADRP NC(=O)C[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001381733398 899108121 /nfs/dbraw/zinc/10/81/21/899108121.db2.gz KRTLWXQBMFFSQN-UHFFFAOYSA-N 2 0 296.415 -0.024 20 0 CBADRP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)NC(=O)CC[NH+](C)C ZINC001381994633 899139796 /nfs/dbraw/zinc/13/97/96/899139796.db2.gz KFCOQUHPKJLCIC-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001382051026 899146057 /nfs/dbraw/zinc/14/60/57/899146057.db2.gz NQYXRBULVJWLNF-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCn1cncn1 ZINC001382119671 899159087 /nfs/dbraw/zinc/15/90/87/899159087.db2.gz XIFJSRSDELPIOB-GFCCVEGCSA-N 2 0 282.392 -0.334 20 0 CBADRP C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(N)=O ZINC001382114700 899159310 /nfs/dbraw/zinc/15/93/10/899159310.db2.gz DIPHBIZNOKSNAD-JTQLQIEISA-N 2 0 270.377 -0.750 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001382123732 899161636 /nfs/dbraw/zinc/16/16/36/899161636.db2.gz PKIMGGMRCFYMTQ-FRRDWIJNSA-N 2 0 287.404 -0.476 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)[C@H]1C ZINC001382302414 899241729 /nfs/dbraw/zinc/24/17/29/899241729.db2.gz JGGQTCUPHRLBTF-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]Cc2cnnn2C)CN1C(=O)CC[NH+](C)C ZINC001382319573 899247920 /nfs/dbraw/zinc/24/79/20/899247920.db2.gz TXJWXKSDJSIBCP-NEPJUHHUSA-N 2 0 294.403 -0.154 20 0 CBADRP CN(CCNC(=O)C[N@H+](C)C1CCC1)C(=O)CC[NH+](C)C ZINC001455305949 914330491 /nfs/dbraw/zinc/33/04/91/914330491.db2.gz BDEMKWCKRJGQCY-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)CC[N@@H+]1C ZINC001455323527 914333836 /nfs/dbraw/zinc/33/38/36/914333836.db2.gz FVJFDJZMATWBQJ-XJFOESAGSA-N 2 0 281.400 -0.006 20 0 CBADRP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)C1CC[NH+](C)CC1 ZINC001382467486 899308655 /nfs/dbraw/zinc/30/86/55/899308655.db2.gz ODUNRJOHHRMOFC-CYBMUJFWSA-N 2 0 287.404 -0.928 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C)[NH+](C)C ZINC001382537476 899318969 /nfs/dbraw/zinc/31/89/69/899318969.db2.gz YGHZBYRLJCMNQQ-WDEREUQCSA-N 2 0 286.420 -0.068 20 0 CBADRP CC[C@H](C(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001385887275 899598503 /nfs/dbraw/zinc/59/85/03/899598503.db2.gz UBMZBZHABIYSFD-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001386791476 899708486 /nfs/dbraw/zinc/70/84/86/899708486.db2.gz JCSONIABPDSKBZ-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001387099812 899761466 /nfs/dbraw/zinc/76/14/66/899761466.db2.gz AXYZPXFVJOCFMU-JHJVBQTASA-N 2 0 298.431 -0.101 20 0 CBADRP CN(CCNC(=O)C[NH+]1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001387758484 899826545 /nfs/dbraw/zinc/82/65/45/899826545.db2.gz ZSDZWQMQMFMPJS-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CC(C)[C@@H](C(=O)NC1CN(C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001387786402 899829748 /nfs/dbraw/zinc/82/97/48/899829748.db2.gz PWYSQNUZMMOZAU-AWEZNQCLSA-N 2 0 298.431 -0.149 20 0 CBADRP CC[C@@H](C(=O)N1CC(NC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001387809113 899834793 /nfs/dbraw/zinc/83/47/93/899834793.db2.gz CZIPMJRPFCJRRT-LBPRGKRZSA-N 2 0 284.404 -0.395 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001388414737 899886547 /nfs/dbraw/zinc/88/65/47/899886547.db2.gz YGRCKYRURMTXCU-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC001388682402 899902411 /nfs/dbraw/zinc/90/24/11/899902411.db2.gz IWQOEPNDXXYWFZ-PHIMTYICSA-N 2 0 282.388 -0.702 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001388727014 899904568 /nfs/dbraw/zinc/90/45/68/899904568.db2.gz TZAZVXOTITWXRQ-IJLUTSLNSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001388729345 899905485 /nfs/dbraw/zinc/90/54/85/899905485.db2.gz WBIZXHLRGAQSLO-IJLUTSLNSA-N 2 0 282.388 -0.702 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001388756357 899907855 /nfs/dbraw/zinc/90/78/55/899907855.db2.gz CAZAIXBXOMMXOX-SCRDCRAPSA-N 2 0 298.431 -0.068 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001388736883 899908043 /nfs/dbraw/zinc/90/80/43/899908043.db2.gz UDSMDZVULGMFHV-JHJVBQTASA-N 2 0 296.415 -0.441 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001389406354 900008182 /nfs/dbraw/zinc/00/81/82/900008182.db2.gz DXOZYCVZVQMQGF-YNEHKIRRSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H]([NH2+][C@@H](CNC(=O)C[N@H+](C)C1CCC1)C1CC1)C(N)=O ZINC001389609933 900049593 /nfs/dbraw/zinc/04/95/93/900049593.db2.gz QPEFJANVTASXNH-MFKMUULPSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H]([NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1)C(N)=O ZINC001389609360 900050461 /nfs/dbraw/zinc/05/04/61/900050461.db2.gz PBDRKMAQRMLGQP-CMPLNLGQSA-N 2 0 296.415 -0.171 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]([NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001389693844 900057726 /nfs/dbraw/zinc/05/77/26/900057726.db2.gz QWLNADARUQPQKV-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC001389861084 900086530 /nfs/dbraw/zinc/08/65/30/900086530.db2.gz NAQYBJDFHRRVOW-DCAQKATOSA-N 2 0 282.388 -0.419 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001389980413 900101981 /nfs/dbraw/zinc/10/19/81/900101981.db2.gz AGFXIUGEYHLYFY-NTZNESFSSA-N 2 0 284.404 -0.445 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C1)C(N)=O ZINC001390003677 900104371 /nfs/dbraw/zinc/10/43/71/900104371.db2.gz HBQNLNVHIOYAJU-GRYCIOLGSA-N 2 0 284.404 -0.171 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2ccnc2C)C1 ZINC001390014331 900104633 /nfs/dbraw/zinc/10/46/33/900104633.db2.gz OWHYLFABFHHBES-FRRDWIJNSA-N 2 0 296.371 -0.564 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001390025163 900105486 /nfs/dbraw/zinc/10/54/86/900105486.db2.gz GVICUPVYNJLAMH-BETUJISGSA-N 2 0 294.403 -0.145 20 0 CBADRP CC(C)CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001390306347 900132186 /nfs/dbraw/zinc/13/21/86/900132186.db2.gz JHKYTRWDSWKBCT-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001390433872 900159532 /nfs/dbraw/zinc/15/95/32/900159532.db2.gz OAHMYPLCVREMCF-RYUDHWBXSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N(C)C1CC1 ZINC001390463468 900167306 /nfs/dbraw/zinc/16/73/06/900167306.db2.gz BIOUTHHKPPQYNR-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001390464486 900167869 /nfs/dbraw/zinc/16/78/69/900167869.db2.gz FBGRCHDNNNARBX-QWRGUYRKSA-N 2 0 272.393 -0.491 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@H]1CCCNC1=O ZINC001390466098 900169797 /nfs/dbraw/zinc/16/97/97/900169797.db2.gz SSZCSNOWWKWYNF-NEPJUHHUSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1cnnn1C ZINC001390504452 900175898 /nfs/dbraw/zinc/17/58/98/900175898.db2.gz GPZKBHYOLKNUHN-NSHDSACASA-N 2 0 282.392 -0.249 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C1)[NH+](C)C ZINC001390551759 900185987 /nfs/dbraw/zinc/18/59/87/900185987.db2.gz SFQZECSTQFGHAV-QWHCGFSZSA-N 2 0 296.415 -0.204 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001390548660 900188096 /nfs/dbraw/zinc/18/80/96/900188096.db2.gz CPDKYLDHJDPQFK-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001390557204 900188790 /nfs/dbraw/zinc/18/87/90/900188790.db2.gz NZBTWDHAIWXYHO-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001390600583 900195967 /nfs/dbraw/zinc/19/59/67/900195967.db2.gz AJESMORUCOFGOQ-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP CC(C)(C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001390599166 900196357 /nfs/dbraw/zinc/19/63/57/900196357.db2.gz ULCBJUSDHSPYTF-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001390612759 900197242 /nfs/dbraw/zinc/19/72/42/900197242.db2.gz WHDLHECYYMCIOI-LLVKDONJSA-N 2 0 280.372 -0.994 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001390601805 900197329 /nfs/dbraw/zinc/19/73/29/900197329.db2.gz CVHMLMKMROBFCJ-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@@H](C)C(N)=O ZINC001390678716 900208122 /nfs/dbraw/zinc/20/81/22/900208122.db2.gz KVRTZHJFJHEQMS-NEPJUHHUSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001390720739 900215851 /nfs/dbraw/zinc/21/58/51/900215851.db2.gz ZPJWFDYNXIFRKU-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001390711323 900217097 /nfs/dbraw/zinc/21/70/97/900217097.db2.gz IUSLEGCVCXFRJF-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001391114371 900312379 /nfs/dbraw/zinc/31/23/79/900312379.db2.gz TVCIGUZNNDMUDX-GXTWGEPZSA-N 2 0 298.431 -0.243 20 0 CBADRP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H](C)C(N)=O ZINC001391135400 900318257 /nfs/dbraw/zinc/31/82/57/900318257.db2.gz JDRIPIDYHIZTKT-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001391207563 900334481 /nfs/dbraw/zinc/33/44/81/900334481.db2.gz LSXXQOATYPWYRY-LLVKDONJSA-N 2 0 282.388 -0.463 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001391210574 900339429 /nfs/dbraw/zinc/33/94/29/900339429.db2.gz FJFKQHZYHINIJT-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001391334834 900354882 /nfs/dbraw/zinc/35/48/82/900354882.db2.gz LZSJFYFHVFJFAZ-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)[C@@H](C)C(N)=O)C1 ZINC001391354412 900359788 /nfs/dbraw/zinc/35/97/88/900359788.db2.gz PEKMYLRYMINEDR-STQMWFEESA-N 2 0 298.431 -0.018 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)[C@@H](C)C(N)=O)C1 ZINC001391354410 900362667 /nfs/dbraw/zinc/36/26/67/900362667.db2.gz PEKMYLRYMINEDR-QWHCGFSZSA-N 2 0 298.431 -0.018 20 0 CBADRP CO[C@@H](C)CN1CC(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001391454252 900383653 /nfs/dbraw/zinc/38/36/53/900383653.db2.gz ZIWQFWKTGWGKKU-LBPRGKRZSA-N 2 0 299.415 -0.068 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001391590898 900414987 /nfs/dbraw/zinc/41/49/87/900414987.db2.gz BRODZRFFZHFDGE-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP CN(CCN(C)C(=O)C[NH+]1CCCC1)C(=O)CC[NH+](C)C ZINC001391831266 900451098 /nfs/dbraw/zinc/45/10/98/900451098.db2.gz OTNXIKYESXTJRS-UHFFFAOYSA-N 2 0 298.431 -0.049 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O)[NH+](C)C ZINC001391865336 900453772 /nfs/dbraw/zinc/45/37/72/900453772.db2.gz NRQQZMOVGBWUDC-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1nnnn1C ZINC001391958893 900473926 /nfs/dbraw/zinc/47/39/26/900473926.db2.gz FLQVAPUVNQOANE-LLVKDONJSA-N 2 0 297.407 -0.608 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001392066872 900506722 /nfs/dbraw/zinc/50/67/22/900506722.db2.gz WKKHUSDTSULFIA-AAEUAGOBSA-N 2 0 296.415 -0.489 20 0 CBADRP CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001392120486 900515315 /nfs/dbraw/zinc/51/53/15/900515315.db2.gz NVJJKIZECCCCIC-QWRGUYRKSA-N 2 0 272.393 -0.362 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](CC(C)C)NC(=O)C[NH+]1CCCC1 ZINC001392168955 900527072 /nfs/dbraw/zinc/52/70/72/900527072.db2.gz ZABAZMZBZUKPMI-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001392174668 900527931 /nfs/dbraw/zinc/52/79/31/900527931.db2.gz XYTBWPUSEIVCGV-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001392219075 900536908 /nfs/dbraw/zinc/53/69/08/900536908.db2.gz JMIIPAQGZVNGLF-UPJWGTAASA-N 2 0 298.431 -0.197 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001392246080 900540026 /nfs/dbraw/zinc/54/00/26/900540026.db2.gz JRJCPCVEQACIAL-OLZOCXBDSA-N 2 0 298.431 -0.195 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001392255281 900543707 /nfs/dbraw/zinc/54/37/07/900543707.db2.gz YSVVINSTRDKZTF-NEPJUHHUSA-N 2 0 284.404 -0.586 20 0 CBADRP CN(CCN(C)[C@@H]1CCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001392327746 900564176 /nfs/dbraw/zinc/56/41/76/900564176.db2.gz ULEQGRMERACSPK-NWDGAFQWSA-N 2 0 282.388 -0.783 20 0 CBADRP Cc1nocc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392426507 900614873 /nfs/dbraw/zinc/61/48/73/900614873.db2.gz MTTUWCAGIOQPMZ-YPMHNXCESA-N 2 0 296.371 -0.499 20 0 CBADRP C[C@@H]([NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001392434220 900616795 /nfs/dbraw/zinc/61/67/95/900616795.db2.gz GSGKUBTZJQGJQI-WDEREUQCSA-N 2 0 282.388 -0.560 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001392480560 900634438 /nfs/dbraw/zinc/63/44/38/900634438.db2.gz OSXWTMFSQHWNDS-VXGBXAGGSA-N 2 0 284.404 -0.301 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001392504897 900641046 /nfs/dbraw/zinc/64/10/46/900641046.db2.gz KTWXOKFPXANQPJ-SNVBAGLBSA-N 2 0 270.377 -0.832 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001392525855 900647146 /nfs/dbraw/zinc/64/71/46/900647146.db2.gz PUDCQYMLEMCIIT-DGCLKSJQSA-N 2 0 296.419 -0.004 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001392573108 900663449 /nfs/dbraw/zinc/66/34/49/900663449.db2.gz DOODHAQYSLWDPH-RWMBFGLXSA-N 2 0 287.404 -0.428 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001392570575 900664014 /nfs/dbraw/zinc/66/40/14/900664014.db2.gz XPXGLNOFUWKHIK-NWDGAFQWSA-N 2 0 287.404 -0.428 20 0 CBADRP CC[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H](CC)[NH+](C)C)C(N)=O ZINC001392598699 900669879 /nfs/dbraw/zinc/66/98/79/900669879.db2.gz XWAAEVPJCAMZKB-AXFHLTTASA-N 2 0 272.393 -0.315 20 0 CBADRP CC[C@@H](C(=O)NC1CN(C(=O)C[NH+](CC)CC)C1)[NH+](C)C ZINC001456343741 914465765 /nfs/dbraw/zinc/46/57/65/914465765.db2.gz NZDQETKYAGFRAE-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001392791213 900727721 /nfs/dbraw/zinc/72/77/21/900727721.db2.gz ZSINRFMCOXGRPK-NEPJUHHUSA-N 2 0 282.388 -0.689 20 0 CBADRP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC(N)=O ZINC001392810488 900730012 /nfs/dbraw/zinc/73/00/12/900730012.db2.gz NLNQZRRZDNZIGO-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1)C(N)=O ZINC001392912712 900757693 /nfs/dbraw/zinc/75/76/93/900757693.db2.gz REFMVXZSODRGIS-JTQLQIEISA-N 2 0 282.388 -0.417 20 0 CBADRP NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001392937728 900766427 /nfs/dbraw/zinc/76/64/27/900766427.db2.gz CLAPSHWCMFRXIS-NEPJUHHUSA-N 2 0 294.399 -0.273 20 0 CBADRP CC(C)[C@H](C(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1)[NH+](C)C ZINC001392950672 900766861 /nfs/dbraw/zinc/76/68/61/900766861.db2.gz RXDCACMLYIIVQC-VXGBXAGGSA-N 2 0 296.415 -0.301 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)CNC(=O)CC[NH+](C)C)[NH+](C)C ZINC001392964630 900768339 /nfs/dbraw/zinc/76/83/39/900768339.db2.gz VKANGTCKJRCKIM-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001393039541 900784544 /nfs/dbraw/zinc/78/45/44/900784544.db2.gz CJSFAIOMULZXFC-STQMWFEESA-N 2 0 294.399 -0.606 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)CC[NH+](C)C ZINC001393060721 900789342 /nfs/dbraw/zinc/78/93/42/900789342.db2.gz YIBHLTBCQVNGAF-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP COCC[N@@H+]1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001393270404 900823513 /nfs/dbraw/zinc/82/35/13/900823513.db2.gz FAXJEKARCCSFMO-AWEZNQCLSA-N 2 0 287.404 -0.472 20 0 CBADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001393396904 900851057 /nfs/dbraw/zinc/85/10/57/900851057.db2.gz POWZIKLJXNCLSK-NEPJUHHUSA-N 2 0 296.415 -0.502 20 0 CBADRP COC[C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001393469325 900863978 /nfs/dbraw/zinc/86/39/78/900863978.db2.gz ZGCCIHAECLNXEE-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP COC[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001393469320 900864285 /nfs/dbraw/zinc/86/42/85/900864285.db2.gz ZGCCIHAECLNXEE-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001393535156 900872047 /nfs/dbraw/zinc/87/20/47/900872047.db2.gz WAGTYEXWVRMNEH-CHWSQXEVSA-N 2 0 299.415 -0.284 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001393644806 900891747 /nfs/dbraw/zinc/89/17/47/900891747.db2.gz QBTDTMMXRJXRMF-STQMWFEESA-N 2 0 298.431 -0.018 20 0 CBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]CC(=O)N(C)C ZINC001393743641 900899609 /nfs/dbraw/zinc/89/96/09/900899609.db2.gz GGYXEPYYULDOIT-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1nncn1C ZINC001393815406 900911499 /nfs/dbraw/zinc/91/14/99/900911499.db2.gz OAMROJJPTFQLLI-NSHDSACASA-N 2 0 282.392 -0.249 20 0 CBADRP CN(CC(N)=O)C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001393881354 900919953 /nfs/dbraw/zinc/91/99/53/900919953.db2.gz GEDXBKXQZRBMFL-OLZOCXBDSA-N 2 0 296.415 -0.264 20 0 CBADRP CN(CC(N)=O)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001393883504 900921346 /nfs/dbraw/zinc/92/13/46/900921346.db2.gz KNZLZXDAQROWQE-RYUDHWBXSA-N 2 0 282.388 -0.654 20 0 CBADRP CN(CC(N)=O)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001393883501 900922406 /nfs/dbraw/zinc/92/24/06/900922406.db2.gz KNZLZXDAQROWQE-NWDGAFQWSA-N 2 0 282.388 -0.654 20 0 CBADRP C[NH+](C)CCC(=O)NCC1CN(C(=O)C[NH+]2CCCC2)C1 ZINC001456583167 914490508 /nfs/dbraw/zinc/49/05/08/914490508.db2.gz BXTONNAHONMDCH-UHFFFAOYSA-N 2 0 296.415 -0.392 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001456587638 914490620 /nfs/dbraw/zinc/49/06/20/914490620.db2.gz PIFFHBCZUNUFIX-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@@H]([NH2+]CCO)[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001393943274 900936403 /nfs/dbraw/zinc/93/64/03/900936403.db2.gz FHTKXCOCUBKZSN-NEPJUHHUSA-N 2 0 297.403 -0.467 20 0 CBADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001394370450 901020048 /nfs/dbraw/zinc/02/00/48/901020048.db2.gz QPQWBXUMVPEEIN-SRVKXCTJSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC([N@H+](C)[C@H]2CCNC2=O)CC1 ZINC001394392588 901023751 /nfs/dbraw/zinc/02/37/51/901023751.db2.gz RWZLLKYBSMBKCO-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001394453552 901026591 /nfs/dbraw/zinc/02/65/91/901026591.db2.gz QIDBTXQDOOSQIQ-RYUDHWBXSA-N 2 0 282.388 -0.750 20 0 CBADRP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001394496381 901038293 /nfs/dbraw/zinc/03/82/93/901038293.db2.gz PUOHKWQXXNKYJS-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1cnnn1C ZINC001394519965 901043781 /nfs/dbraw/zinc/04/37/81/901043781.db2.gz NHFIQQWKTONRMN-LLVKDONJSA-N 2 0 282.392 -0.297 20 0 CBADRP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H](C)C(N)=O ZINC001394540954 901046101 /nfs/dbraw/zinc/04/61/01/901046101.db2.gz RBMONAROMVICTM-QWRGUYRKSA-N 2 0 282.388 -0.608 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001394552586 901047992 /nfs/dbraw/zinc/04/79/92/901047992.db2.gz IAWDOYOQRFPELG-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP O=C(NC[C@H](CO)[NH2+]CCF)[C@@H]1C[NH+]2CCC1CC2 ZINC001394587181 901074910 /nfs/dbraw/zinc/07/49/10/901074910.db2.gz OFOBKKHJDAZXBI-VXGBXAGGSA-N 2 0 273.352 -0.636 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001394611465 901087101 /nfs/dbraw/zinc/08/71/01/901087101.db2.gz GWLZZSYXVBJHIU-CHWSQXEVSA-N 2 0 299.415 -0.690 20 0 CBADRP CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)c1)[NH+](C)C ZINC001394619366 901094479 /nfs/dbraw/zinc/09/44/79/901094479.db2.gz OHRFUDVFYVQTND-CHWSQXEVSA-N 2 0 297.403 -0.673 20 0 CBADRP C[C@@H]1[C@@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)CC[NH+](C)C ZINC001394664342 901112549 /nfs/dbraw/zinc/11/25/49/901112549.db2.gz BLAVGKIMKJJKCD-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001394691484 901118356 /nfs/dbraw/zinc/11/83/56/901118356.db2.gz NFJQCGQGAUAPSU-JMSVASOKSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001394691492 901120276 /nfs/dbraw/zinc/12/02/76/901120276.db2.gz NFJQCGQGAUAPSU-TYNCELHUSA-N 2 0 296.415 -0.075 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@H]1C ZINC001394681961 901120599 /nfs/dbraw/zinc/12/05/99/901120599.db2.gz UYAWHBDJSZNGAG-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CN(C[C@H](O)C[N@H+](C)CCCO)C(=O)[C@H]1CCC[NH+]1C ZINC001394772471 901151621 /nfs/dbraw/zinc/15/16/21/901151621.db2.gz XRUGMQFPTAACGS-CHWSQXEVSA-N 2 0 287.404 -0.786 20 0 CBADRP CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001394859402 901165127 /nfs/dbraw/zinc/16/51/27/901165127.db2.gz FBTQGTKMTDLETF-YIZWMMSDSA-N 2 0 298.431 -0.102 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001397135945 901368858 /nfs/dbraw/zinc/36/88/58/901368858.db2.gz QWKXCPHZDIGZMC-XDQVBPFNSA-N 2 0 299.415 -0.428 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001397156598 901370689 /nfs/dbraw/zinc/37/06/89/901370689.db2.gz GXVNIAVDLIKJMW-QJPTWQEYSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001397444038 901411501 /nfs/dbraw/zinc/41/15/01/901411501.db2.gz KJJZLCBAYMPXPI-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001397597015 901435709 /nfs/dbraw/zinc/43/57/09/901435709.db2.gz XYBCTLYTAVXSKJ-NNYUYHANSA-N 2 0 284.404 -0.315 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001397611206 901438782 /nfs/dbraw/zinc/43/87/82/901438782.db2.gz HGDHAVFDEIGIOA-LPWJVIDDSA-N 2 0 296.415 -0.171 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001397686592 901444366 /nfs/dbraw/zinc/44/43/66/901444366.db2.gz VRCABLAWNXJLEG-SRVKXCTJSA-N 2 0 282.388 -0.832 20 0 CBADRP CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001397924998 901480037 /nfs/dbraw/zinc/48/00/37/901480037.db2.gz AHYHKHXEKUTBEA-OLZOCXBDSA-N 2 0 296.415 -0.536 20 0 CBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CC[N@H+](CCCO)C2)CC1 ZINC001398339146 901525850 /nfs/dbraw/zinc/52/58/50/901525850.db2.gz VQVQYMOKRQUSGS-CYBMUJFWSA-N 2 0 299.415 -0.330 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]([NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001398432106 901536311 /nfs/dbraw/zinc/53/63/11/901536311.db2.gz FJQBTOKTWRCMOM-VXGBXAGGSA-N 2 0 282.388 -0.689 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001398443692 901540596 /nfs/dbraw/zinc/54/05/96/901540596.db2.gz GDLVGOINBHUERR-OCCSQVGLSA-N 2 0 298.431 -0.197 20 0 CBADRP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC(N)=O ZINC001398982835 901644687 /nfs/dbraw/zinc/64/46/87/901644687.db2.gz QRDCZUUUGUUQNU-LLVKDONJSA-N 2 0 282.388 -0.558 20 0 CBADRP CCn1nncc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001399108879 901664826 /nfs/dbraw/zinc/66/48/26/901664826.db2.gz KHHCWLQMZHKZIO-NWDGAFQWSA-N 2 0 294.403 -0.156 20 0 CBADRP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC(=O)N(C)C ZINC001399121513 901670994 /nfs/dbraw/zinc/67/09/94/901670994.db2.gz ZQOMBWHTSUMQDH-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCN1CCNC1=O ZINC001399125972 901673064 /nfs/dbraw/zinc/67/30/64/901673064.db2.gz UYLUVWCPCQVVKJ-GFCCVEGCSA-N 2 0 297.403 -0.798 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001399217026 901683552 /nfs/dbraw/zinc/68/35/52/901683552.db2.gz LMYJVLWHUWCEMF-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001399250928 901687911 /nfs/dbraw/zinc/68/79/11/901687911.db2.gz YUHHVKFZGABCHA-NEPJUHHUSA-N 2 0 282.388 -0.878 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)[C@H]2CCNC2=O)C1 ZINC001399294979 901690978 /nfs/dbraw/zinc/69/09/78/901690978.db2.gz URTDRVDJOIBUSD-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@@H]1CCNC1=O ZINC001399378712 901705460 /nfs/dbraw/zinc/70/54/60/901705460.db2.gz VXGBEICBLLKZEN-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001399380186 901706309 /nfs/dbraw/zinc/70/63/09/901706309.db2.gz WAXGFGZMBNWBFL-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001399374840 901706636 /nfs/dbraw/zinc/70/66/36/901706636.db2.gz LFCYKOQDDPTJMK-LLVKDONJSA-N 2 0 284.404 -0.441 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001399383719 901708840 /nfs/dbraw/zinc/70/88/40/901708840.db2.gz FAZVIVAUCJRSIU-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC1CC1 ZINC001399427133 901712959 /nfs/dbraw/zinc/71/29/59/901712959.db2.gz IZROSFGHRKAZKL-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001399860294 901821887 /nfs/dbraw/zinc/82/18/87/901821887.db2.gz BLZBYWZDZWEOAS-MELADBBJSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001399919252 901836620 /nfs/dbraw/zinc/83/66/20/901836620.db2.gz AVJYSDLWOUHHHL-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001400051130 901863430 /nfs/dbraw/zinc/86/34/30/901863430.db2.gz JDKSZPPDCOSSNC-GFCCVEGCSA-N 2 0 296.415 -0.251 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001400054841 901865989 /nfs/dbraw/zinc/86/59/89/901865989.db2.gz MQBNKGNCQHGIHH-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CCN1CC[C@H]([NH2+]CCN(C)C(=O)CC[N@H+](C)CC)C1=O ZINC001400066032 901870847 /nfs/dbraw/zinc/87/08/47/901870847.db2.gz NGTWYXXSEMBQKW-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001400426667 901938154 /nfs/dbraw/zinc/93/81/54/901938154.db2.gz VFADZQKCLHEBPO-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001400807386 902019532 /nfs/dbraw/zinc/01/95/32/902019532.db2.gz UXMMTGQLDFTXRB-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001400807390 902019920 /nfs/dbraw/zinc/01/99/20/902019920.db2.gz UXMMTGQLDFTXRB-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NC ZINC001400805435 902020740 /nfs/dbraw/zinc/02/07/40/902020740.db2.gz UWXXGUOPMWPTEH-GRYCIOLGSA-N 2 0 284.404 -0.443 20 0 CBADRP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H](C)C(=O)NC ZINC001400903501 902036134 /nfs/dbraw/zinc/03/61/34/902036134.db2.gz KJILBRBFYXJARE-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H](CC)C(N)=O ZINC001400929697 902036607 /nfs/dbraw/zinc/03/66/07/902036607.db2.gz PIGKPWUNADAXQZ-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001401113371 902056880 /nfs/dbraw/zinc/05/68/80/902056880.db2.gz HFHKFQQMZMYWOI-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1cnnn1C ZINC001401121872 902061237 /nfs/dbraw/zinc/06/12/37/902061237.db2.gz GQDOWGFIZDMAGL-WCQYABFASA-N 2 0 294.403 -0.249 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001401141352 902063297 /nfs/dbraw/zinc/06/32/97/902063297.db2.gz WXXWGYMESDAMNI-NWDGAFQWSA-N 2 0 284.404 -0.584 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1)C(N)=O ZINC001401189309 902077492 /nfs/dbraw/zinc/07/74/92/902077492.db2.gz PWEUCVLVSBFPAV-VXGBXAGGSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001401221344 902086137 /nfs/dbraw/zinc/08/61/37/902086137.db2.gz OVXPNKKHUFRPLM-YPMHNXCESA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001401220580 902086299 /nfs/dbraw/zinc/08/62/99/902086299.db2.gz NBCCSNTWXRQFQW-LBPRGKRZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001401260119 902095494 /nfs/dbraw/zinc/09/54/94/902095494.db2.gz WWZAECGZTTVSAT-WDEREUQCSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1[NH2+]CC(N)=O ZINC001401298892 902099440 /nfs/dbraw/zinc/09/94/40/902099440.db2.gz PAWBMVJJUSKPAP-VXGBXAGGSA-N 2 0 296.415 -0.360 20 0 CBADRP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001401274215 902100204 /nfs/dbraw/zinc/10/02/04/902100204.db2.gz RIQJTJYODYLONV-ZDUSSCGKSA-N 2 0 298.431 -0.066 20 0 CBADRP COC[C@H](O)C[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001401438418 902122864 /nfs/dbraw/zinc/12/28/64/902122864.db2.gz NJSZPNYBOVSBNL-CYBMUJFWSA-N 2 0 287.404 -0.520 20 0 CBADRP Cc1ncoc1C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001401557266 902165771 /nfs/dbraw/zinc/16/57/71/902165771.db2.gz CCAZEXWFLWLIDV-GFCCVEGCSA-N 2 0 296.371 -0.354 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)CC[NH2+][C@@H]1CCNC1=O ZINC001401601874 902180677 /nfs/dbraw/zinc/18/06/77/902180677.db2.gz FGDMLEFLXRLQBU-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001401646474 902205972 /nfs/dbraw/zinc/20/59/72/902205972.db2.gz HELDWSPEAQKFFZ-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001401677379 902221089 /nfs/dbraw/zinc/22/10/89/902221089.db2.gz YLESDNXQLHITKI-CMPLNLGQSA-N 2 0 282.388 -0.547 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001401686621 902230935 /nfs/dbraw/zinc/23/09/35/902230935.db2.gz VDRLNZPDCOEMID-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C(N)=O ZINC001401687972 902232202 /nfs/dbraw/zinc/23/22/02/902232202.db2.gz MPCCKIKIPWPVCK-TUAOUCFPSA-N 2 0 286.420 -0.069 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401698258 902233992 /nfs/dbraw/zinc/23/39/92/902233992.db2.gz BOCLLNRCQALULN-UWVGGRQHSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001401712598 902239576 /nfs/dbraw/zinc/23/95/76/902239576.db2.gz NELTWRRLAFIXIB-RYUDHWBXSA-N 2 0 297.403 -0.467 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001401856539 902289310 /nfs/dbraw/zinc/28/93/10/902289310.db2.gz XYYCIOKZHKQFBU-BFHYXJOUSA-N 2 0 299.415 -0.428 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001401949016 902324185 /nfs/dbraw/zinc/32/41/85/902324185.db2.gz VFJBKJCUXUKSMR-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001401976922 902330537 /nfs/dbraw/zinc/33/05/37/902330537.db2.gz IIYLCVMWLSJCKV-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001402059724 902346342 /nfs/dbraw/zinc/34/63/42/902346342.db2.gz MRNMCWIMMOYMOG-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001402066227 902352145 /nfs/dbraw/zinc/35/21/45/902352145.db2.gz FEKRMSCYEMOHLH-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CC(N)=O)C1CCCC1 ZINC001402097349 902355083 /nfs/dbraw/zinc/35/50/83/902355083.db2.gz LRZJLAPDUBLBFD-GFCCVEGCSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H]([NH2+][C@@H](CNC(=O)CC[NH+](C)C)C1CC1)C(=O)N(C)C ZINC001402345145 902428011 /nfs/dbraw/zinc/42/80/11/902428011.db2.gz MZTMTSJDHYLCPG-AAEUAGOBSA-N 2 0 298.431 -0.101 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001402444344 902451687 /nfs/dbraw/zinc/45/16/87/902451687.db2.gz KQBUJHZQAPSRSU-ZDUSSCGKSA-N 2 0 294.403 -0.190 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001402451896 902454718 /nfs/dbraw/zinc/45/47/18/902454718.db2.gz MOLHGYOGSKQOHM-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001402457508 902455685 /nfs/dbraw/zinc/45/56/85/902455685.db2.gz NKGJKJGSNLQFMT-UKRRQHHQSA-N 2 0 299.415 -0.736 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001402608908 902491361 /nfs/dbraw/zinc/49/13/61/902491361.db2.gz KQFGHZSFPGUQMQ-HZSPNIEDSA-N 2 0 299.415 -0.428 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001402607275 902491594 /nfs/dbraw/zinc/49/15/94/902491594.db2.gz IOXNVGDAZMHSSC-MXWKQRLJSA-N 2 0 270.377 -0.691 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001402630434 902494154 /nfs/dbraw/zinc/49/41/54/902494154.db2.gz NADHLFKERHTFIV-GRYCIOLGSA-N 2 0 284.404 -0.348 20 0 CBADRP CC[C@@H](C(=O)N(C)CCC[N@H+](C)[C@H](C)C(N)=O)[NH+](C)C ZINC001402652497 902497837 /nfs/dbraw/zinc/49/78/37/902497837.db2.gz GJYCRCIXOBQVRU-NEPJUHHUSA-N 2 0 286.420 -0.019 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001402639683 902498918 /nfs/dbraw/zinc/49/89/18/902498918.db2.gz FCFXZLKDNPYHTR-XQQFMLRXSA-N 2 0 287.404 -0.429 20 0 CBADRP C[C@@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001402727777 902510091 /nfs/dbraw/zinc/51/00/91/902510091.db2.gz VEQZBYRKIFTNHC-TZMCWYRMSA-N 2 0 287.404 -0.738 20 0 CBADRP Cc1ncoc1C[NH2+][C@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001402865704 902543139 /nfs/dbraw/zinc/54/31/39/902543139.db2.gz LHEPCRQLSXFFCY-ZWNOBZJWSA-N 2 0 296.371 -0.092 20 0 CBADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)N(C)C ZINC001402982376 902584284 /nfs/dbraw/zinc/58/42/84/902584284.db2.gz OQADUJQUXCEMJQ-NSHDSACASA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H]1CCCNC1=O ZINC001402996574 902585747 /nfs/dbraw/zinc/58/57/47/902585747.db2.gz AJIGMTNLPSSLCS-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H]1CCCNC1=O ZINC001402996577 902586508 /nfs/dbraw/zinc/58/65/08/902586508.db2.gz AJIGMTNLPSSLCS-RYUDHWBXSA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001403006036 902590466 /nfs/dbraw/zinc/59/04/66/902590466.db2.gz NICSSEOEXYFFDR-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001403057598 902602405 /nfs/dbraw/zinc/60/24/05/902602405.db2.gz CKLCOFNHRQQEBB-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]CCN1CCNC1=O ZINC001403069478 902604975 /nfs/dbraw/zinc/60/49/75/902604975.db2.gz XUFBLHFIYITZNI-VXGBXAGGSA-N 2 0 299.419 -0.554 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001403074557 902608773 /nfs/dbraw/zinc/60/87/73/902608773.db2.gz YARGQVBZBBXLLC-MNOVXSKESA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)N1CCC1 ZINC001403080191 902609877 /nfs/dbraw/zinc/60/98/77/902609877.db2.gz IBEQYTQLHBJMIP-GFCCVEGCSA-N 2 0 294.399 -0.591 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001403156475 902630740 /nfs/dbraw/zinc/63/07/40/902630740.db2.gz DSGFWIDREJOCQO-LLVKDONJSA-N 2 0 284.404 -0.301 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001403240880 902659592 /nfs/dbraw/zinc/65/95/92/902659592.db2.gz FSVWAWFDQVLBFL-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001403271001 902661466 /nfs/dbraw/zinc/66/14/66/902661466.db2.gz FKIKNZWWYJVFSI-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC(N)=O)C2)CCC1 ZINC001403279479 902662155 /nfs/dbraw/zinc/66/21/55/902662155.db2.gz COLPQBXRJVMVMI-VXGBXAGGSA-N 2 0 296.415 -0.027 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(N)=O ZINC001403368578 902679227 /nfs/dbraw/zinc/67/92/27/902679227.db2.gz AJDMQUBGZYCGGN-NEPJUHHUSA-N 2 0 284.404 -0.171 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001403404549 902685202 /nfs/dbraw/zinc/68/52/02/902685202.db2.gz FKOFIUSRGWJTCS-RWMBFGLXSA-N 2 0 296.415 -0.360 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001403417866 902687006 /nfs/dbraw/zinc/68/70/06/902687006.db2.gz GAAJLCACZNGDIY-GVXVVHGQSA-N 2 0 284.404 -0.458 20 0 CBADRP C[C@@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+][C@@H]1CCN(C)C1=O ZINC001403583277 902739414 /nfs/dbraw/zinc/73/94/14/902739414.db2.gz JTJJKLQFALYHHN-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CCn1cncn1 ZINC001403655741 902782213 /nfs/dbraw/zinc/78/22/13/902782213.db2.gz CXSCXKLVNZIWQI-UHFFFAOYSA-N 2 0 294.403 -0.332 20 0 CBADRP O=C(NC[C@@H](CO)[NH2+]CCO)C1CC[NH+](CC2CC2)CC1 ZINC001403730886 902828776 /nfs/dbraw/zinc/82/87/76/902828776.db2.gz QWBXGRBNHMBEMB-AWEZNQCLSA-N 2 0 299.415 -0.833 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCN(C)[C@@H]1CCCNC1=O ZINC001403744617 902831137 /nfs/dbraw/zinc/83/11/37/902831137.db2.gz XCMJNCYRLUMTRE-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[C@H](C(=O)NCCN(C)[C@H](C)C(=O)NC)[NH+](C)C ZINC001403740081 902834337 /nfs/dbraw/zinc/83/43/37/902834337.db2.gz LBROQSWYZIRTQV-GHMZBOCLSA-N 2 0 272.393 -0.491 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CCn2cncn2)CN1C(=O)CC[NH+](C)C ZINC001403750251 902835405 /nfs/dbraw/zinc/83/54/05/902835405.db2.gz RFXARUUKAAGDBK-QWHCGFSZSA-N 2 0 294.403 -0.191 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001403817310 902858148 /nfs/dbraw/zinc/85/81/48/902858148.db2.gz PCDDSSROJGXBCP-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001403891460 902898508 /nfs/dbraw/zinc/89/85/08/902898508.db2.gz CUQILFBMXAETKH-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCCNC1=O ZINC001403938298 902911585 /nfs/dbraw/zinc/91/15/85/902911585.db2.gz GVWPXYZVMYHSLH-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H](C)C(N)=O ZINC001403940632 902912250 /nfs/dbraw/zinc/91/22/50/902912250.db2.gz PUFMXYIGQSOZRI-MNOVXSKESA-N 2 0 270.377 -0.750 20 0 CBADRP CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H](C)C(=O)NC ZINC001403940804 902912870 /nfs/dbraw/zinc/91/28/70/902912870.db2.gz QHOSCEJZBJOIHV-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001403969444 902916997 /nfs/dbraw/zinc/91/69/97/902916997.db2.gz TUOXCQNJQKEUMT-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001404309837 902969572 /nfs/dbraw/zinc/96/95/72/902969572.db2.gz FETCZTSXOBCZKQ-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001404603932 903006356 /nfs/dbraw/zinc/00/63/56/903006356.db2.gz USOPSVRGDREKDX-GFCCVEGCSA-N 2 0 284.404 -0.536 20 0 CBADRP C[NH+](C)CCC(=O)NCC1C[NH+](CCn2cccn2)C1 ZINC001404903210 903049153 /nfs/dbraw/zinc/04/91/53/903049153.db2.gz GZCCRSVGWZOTKN-UHFFFAOYSA-N 2 0 279.388 -0.117 20 0 CBADRP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001405332308 903148924 /nfs/dbraw/zinc/14/89/24/903148924.db2.gz HPWHPHQZYSDVNT-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]CC(N)=O ZINC001405362296 903153330 /nfs/dbraw/zinc/15/33/30/903153330.db2.gz GFYXYYXTLRKWGE-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H](C)C(N)=O ZINC001405379685 903159952 /nfs/dbraw/zinc/15/99/52/903159952.db2.gz OJHBVIBQSIKEFE-GHMZBOCLSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+]CC(N)=O ZINC001405694263 903202764 /nfs/dbraw/zinc/20/27/64/903202764.db2.gz TUTCVJMJVQGWAE-LLVKDONJSA-N 2 0 284.404 -0.312 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001405711149 903207564 /nfs/dbraw/zinc/20/75/64/903207564.db2.gz AFKAQXCEGZLVPZ-MNOVXSKESA-N 2 0 272.393 -0.458 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001405720240 903207665 /nfs/dbraw/zinc/20/76/65/903207665.db2.gz QODSOIBGKXTCOW-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC(=O)N(C)C ZINC001405730793 903208007 /nfs/dbraw/zinc/20/80/07/903208007.db2.gz HBJAQVKGFPCZHP-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC(=O)N(C)C ZINC001405730789 903209291 /nfs/dbraw/zinc/20/92/91/903209291.db2.gz HBJAQVKGFPCZHP-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001405745766 903213088 /nfs/dbraw/zinc/21/30/88/903213088.db2.gz UZBFPPKJIDAUDJ-WDEREUQCSA-N 2 0 270.377 -0.974 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001405734471 903213851 /nfs/dbraw/zinc/21/38/51/903213851.db2.gz PAOJVKDUHRSNJQ-STQMWFEESA-N 2 0 299.415 -0.569 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001405802959 903225169 /nfs/dbraw/zinc/22/51/69/903225169.db2.gz CRIWBXRTRPVECP-IJLUTSLNSA-N 2 0 284.404 -0.491 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001405853851 903238287 /nfs/dbraw/zinc/23/82/87/903238287.db2.gz WBLDEXKXHKLEQM-GHMZBOCLSA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001405849942 903239263 /nfs/dbraw/zinc/23/92/63/903239263.db2.gz OZIYIXPGCSIZEV-WCQYABFASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001405875437 903241571 /nfs/dbraw/zinc/24/15/71/903241571.db2.gz UEOKWVILAWLJFR-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H](C)C1 ZINC001405971276 903247976 /nfs/dbraw/zinc/24/79/76/903247976.db2.gz MVBOEDFNXWCECH-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CC(C)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001406042446 903256228 /nfs/dbraw/zinc/25/62/28/903256228.db2.gz PAJFSFBATOOQLD-VXGBXAGGSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(N)=O ZINC001406062150 903261090 /nfs/dbraw/zinc/26/10/90/903261090.db2.gz BWTNRKMFAKPYLJ-NSHDSACASA-N 2 0 282.388 -0.702 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001406153174 903279488 /nfs/dbraw/zinc/27/94/88/903279488.db2.gz JIUSEGUWUYNRAP-ZDUSSCGKSA-N 2 0 299.415 -0.520 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001406216102 903304087 /nfs/dbraw/zinc/30/40/87/903304087.db2.gz ZOMOBAITNDTHPC-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001406216116 903306874 /nfs/dbraw/zinc/30/68/74/903306874.db2.gz ZOMOBAITNDTHPC-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)CCc1c[nH]cn1 ZINC001406293060 903341505 /nfs/dbraw/zinc/34/15/05/903341505.db2.gz BBUYVNJTNVMMIK-JQWIXIFHSA-N 2 0 293.371 -0.285 20 0 CBADRP CC[C@@H](F)C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001406293134 903343648 /nfs/dbraw/zinc/34/36/48/903343648.db2.gz ZGYIMIYVDFXILE-VXGBXAGGSA-N 2 0 287.379 -0.103 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccnn1C ZINC001406315873 903355736 /nfs/dbraw/zinc/35/57/36/903355736.db2.gz ZJBAYQUUPDRLCL-ZDUSSCGKSA-N 2 0 297.403 -0.673 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001406387048 903387633 /nfs/dbraw/zinc/38/76/33/903387633.db2.gz XOQPWLUPQLWNAM-IJLUTSLNSA-N 2 0 284.404 -0.348 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001406394331 903391389 /nfs/dbraw/zinc/39/13/89/903391389.db2.gz PQMFNGJWOYNJGK-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001406521968 903421752 /nfs/dbraw/zinc/42/17/52/903421752.db2.gz VXYQDFIXLRNPIM-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001406513653 903422201 /nfs/dbraw/zinc/42/22/01/903422201.db2.gz CXXYPNJEQKVVQE-HBNTYKKESA-N 2 0 270.377 -0.561 20 0 CBADRP CC[C@H]([NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001406513646 903423911 /nfs/dbraw/zinc/42/39/11/903423911.db2.gz CXXYPNJEQKVVQE-GARJFASQSA-N 2 0 270.377 -0.561 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001406516196 903424214 /nfs/dbraw/zinc/42/42/14/903424214.db2.gz CXGSEKAWQRPBID-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001406648778 903456865 /nfs/dbraw/zinc/45/68/65/903456865.db2.gz ARHDMNRNJYDMJO-QWRGUYRKSA-N 2 0 272.393 -0.362 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001406704669 903464755 /nfs/dbraw/zinc/46/47/55/903464755.db2.gz XYUXBDLXKYRZIY-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001406764454 903474671 /nfs/dbraw/zinc/47/46/71/903474671.db2.gz SHKYWNRNPFQOAU-QWHCGFSZSA-N 2 0 296.415 -0.171 20 0 CBADRP NC(=O)C[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001406765019 903475089 /nfs/dbraw/zinc/47/50/89/903475089.db2.gz UBUUMNXUNGWZDE-GFCCVEGCSA-N 2 0 294.399 -0.416 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001406780429 903478906 /nfs/dbraw/zinc/47/89/06/903478906.db2.gz PYSVDRDVIYTTFI-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001406794680 903479843 /nfs/dbraw/zinc/47/98/43/903479843.db2.gz VBGOKPHANYVUPD-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001406783447 903480045 /nfs/dbraw/zinc/48/00/45/903480045.db2.gz IMAHEZYMPODUQS-STQMWFEESA-N 2 0 294.399 -0.545 20 0 CBADRP CC[C@H](C(=O)NCC1([NH2+][C@@H](CC)C(N)=O)CC1)[NH+](C)C ZINC001406933608 903514450 /nfs/dbraw/zinc/51/44/50/903514450.db2.gz BBRJFPNMDVEKCX-WDEREUQCSA-N 2 0 284.404 -0.171 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001406986730 903523685 /nfs/dbraw/zinc/52/36/85/903523685.db2.gz JVHMKGWWXYERKL-RYUDHWBXSA-N 2 0 294.399 -0.545 20 0 CBADRP O=C(NCC1([NH2+][C@@H]2CCNC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001406986685 903523921 /nfs/dbraw/zinc/52/39/21/903523921.db2.gz JIYFCVSBXPTJGZ-LLVKDONJSA-N 2 0 292.383 -0.791 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC(=O)NC3CC3)CC2)C1 ZINC001407015129 903525257 /nfs/dbraw/zinc/52/52/57/903525257.db2.gz SDRBIUFZKDLGCN-LLVKDONJSA-N 2 0 294.399 -0.545 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001407235659 903559684 /nfs/dbraw/zinc/55/96/84/903559684.db2.gz LGZRZLGQQHMIAJ-WFASDCNBSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001407241201 903561013 /nfs/dbraw/zinc/56/10/13/903561013.db2.gz RUMZVFDQXHKPJT-SWLSCSKDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+](C)CCC(=O)NCC1([NH2+][C@@H]2CCNC2=O)CCCC1 ZINC001407469268 903612461 /nfs/dbraw/zinc/61/24/61/903612461.db2.gz JFWXCVBJXRFKFR-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001407555817 903627156 /nfs/dbraw/zinc/62/71/56/903627156.db2.gz CVRMJACUXBYHLS-TXEJJXNPSA-N 2 0 282.388 -0.926 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH+](C)CC(N)=O)CC[N@@H+]1C ZINC001407907998 903678245 /nfs/dbraw/zinc/67/82/45/903678245.db2.gz XEGHCFXTSJLICH-QWHCGFSZSA-N 2 0 298.431 -0.018 20 0 CBADRP CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001408211768 903731592 /nfs/dbraw/zinc/73/15/92/903731592.db2.gz KXJDKRWBZJIZHN-SRVKXCTJSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cnn(C)n1 ZINC001408243178 903735104 /nfs/dbraw/zinc/73/51/04/903735104.db2.gz LWDOBURKCBIJDE-LBPRGKRZSA-N 2 0 294.403 -0.105 20 0 CBADRP COC(=O)[C@](C)(O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC001460192887 914768043 /nfs/dbraw/zinc/76/80/43/914768043.db2.gz GENUJMOGGFNCPU-CQSZACIVSA-N 2 0 289.420 -0.274 20 0 CBADRP CCCC[C@H](C[NH2+]CC(=O)NC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001409844593 903974423 /nfs/dbraw/zinc/97/44/23/903974423.db2.gz OWSMBIUTWHLWSA-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP COC(=O)[C@@](C)(O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC001460192518 914770632 /nfs/dbraw/zinc/77/06/32/914770632.db2.gz GENUJMOGGFNCPU-AWEZNQCLSA-N 2 0 289.420 -0.274 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CCC1 ZINC001410050764 904001480 /nfs/dbraw/zinc/00/14/80/904001480.db2.gz DJRGRHUUPWOBKP-CNDDSTCGSA-N 2 0 294.399 -0.750 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001410213778 904044493 /nfs/dbraw/zinc/04/44/93/904044493.db2.gz GAAJLCACZNGDIY-NQBHXWOUSA-N 2 0 284.404 -0.458 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001410216809 904045083 /nfs/dbraw/zinc/04/50/83/904045083.db2.gz CTMRIPKAWPNHBA-XYPYZODXSA-N 2 0 282.388 -0.702 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001410213658 904046375 /nfs/dbraw/zinc/04/63/75/904046375.db2.gz FQRDVRGBAMXOHA-AULYBMBSSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001410227974 904050502 /nfs/dbraw/zinc/05/05/02/904050502.db2.gz GRJFANAGNATLDK-AVGNSLFASA-N 2 0 296.415 -0.170 20 0 CBADRP CC(C)[C@@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001410268199 904058313 /nfs/dbraw/zinc/05/83/13/904058313.db2.gz KRZURNLYXRZUSA-CHWSQXEVSA-N 2 0 298.431 -0.066 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410336847 904072453 /nfs/dbraw/zinc/07/24/53/904072453.db2.gz WGGGLHCKHOEXRM-OLZOCXBDSA-N 2 0 296.415 -0.489 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001410379543 904087626 /nfs/dbraw/zinc/08/76/26/904087626.db2.gz NDFUXYMQIKCIFP-IJLUTSLNSA-N 2 0 284.404 -0.491 20 0 CBADRP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001410424259 904095829 /nfs/dbraw/zinc/09/58/29/904095829.db2.gz LVOBEORUKSHDPZ-DGCLKSJQSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@H]1CCN(C)C1=O ZINC001410445552 904102262 /nfs/dbraw/zinc/10/22/62/904102262.db2.gz WIZOCTXKCQFKQD-NEPJUHHUSA-N 2 0 284.404 -0.395 20 0 CBADRP C[NH+](C)CCCC(=O)NC[C@H]1CCN1C(=O)CC[NH+](C)C ZINC001410617240 904143000 /nfs/dbraw/zinc/14/30/00/904143000.db2.gz FLAXBQZVEMUGPO-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CO[C@H](C)C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001410732803 904178239 /nfs/dbraw/zinc/17/82/39/904178239.db2.gz PKNIKISFINTGOL-YPMHNXCESA-N 2 0 287.404 -0.570 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H]1C ZINC001410868201 904200496 /nfs/dbraw/zinc/20/04/96/904200496.db2.gz VPAOZYIHYXTZFA-GHMZBOCLSA-N 2 0 270.377 -0.609 20 0 CBADRP CC[C@H](C(=O)N1CC(N(C)C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001410912934 904201459 /nfs/dbraw/zinc/20/14/59/904201459.db2.gz HETUMDKLPJPQRK-CYBMUJFWSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001411042748 904227465 /nfs/dbraw/zinc/22/74/65/904227465.db2.gz LXWUMPZKAAEDQH-YPMHNXCESA-N 2 0 287.404 -0.740 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001411075215 904229720 /nfs/dbraw/zinc/22/97/20/904229720.db2.gz BBLFLCCCRINQQH-VXGBXAGGSA-N 2 0 287.404 -0.882 20 0 CBADRP C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001411075182 904232809 /nfs/dbraw/zinc/23/28/09/904232809.db2.gz BBLFLCCCRINQQH-NWDGAFQWSA-N 2 0 287.404 -0.882 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C)C1 ZINC001411218533 904262829 /nfs/dbraw/zinc/26/28/29/904262829.db2.gz PYDKQCIJSQNRHT-RYUDHWBXSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C)CC[N@@H+]1C ZINC001411217475 904263400 /nfs/dbraw/zinc/26/34/00/904263400.db2.gz ZTNWYDCZNJWPSL-UTUOFQBUSA-N 2 0 298.431 -0.068 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001480623744 916499716 /nfs/dbraw/zinc/49/97/16/916499716.db2.gz MSCWQDKIACVSFS-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP C[C@H]1CN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)CCN1CCO ZINC001412050466 904432573 /nfs/dbraw/zinc/43/25/73/904432573.db2.gz KYMADZXJQZUMRU-QWHCGFSZSA-N 2 0 287.379 -0.055 20 0 CBADRP COCC[N@H+](C)CCNC(=O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC001412491209 904593226 /nfs/dbraw/zinc/59/32/26/904593226.db2.gz AFXCSZWNHIRXJI-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)C[NH+]1CCCC1 ZINC001412703318 904673534 /nfs/dbraw/zinc/67/35/34/904673534.db2.gz QZJYYKBRTVZEBB-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)C(C)(C)O ZINC001412969087 904832912 /nfs/dbraw/zinc/83/29/12/904832912.db2.gz XKUHXLCJKBRUHP-ZDUSSCGKSA-N 2 0 273.421 -0.313 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](C)NC(=O)CC[NH+](C)C)[NH+](C)C ZINC001415198902 905577261 /nfs/dbraw/zinc/57/72/61/905577261.db2.gz JSVSJXCZCBWGTG-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001415258468 905593929 /nfs/dbraw/zinc/59/39/29/905593929.db2.gz QGNHXDMQIGPXJK-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001416005063 905691482 /nfs/dbraw/zinc/69/14/82/905691482.db2.gz FRTCXJAQZVDXQW-UHFFFAOYSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@H](C(=O)N1CC(NC(=O)C[N@H+](C)C(C)C)C1)[NH+](C)C ZINC001416005215 905691982 /nfs/dbraw/zinc/69/19/82/905691982.db2.gz HZBZGXGOCNMMLV-CYBMUJFWSA-N 2 0 298.431 -0.006 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001416897091 905829021 /nfs/dbraw/zinc/82/90/21/905829021.db2.gz YGKXDTDMSWQOJO-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+](C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001416897094 905829778 /nfs/dbraw/zinc/82/97/78/905829778.db2.gz YGKXDTDMSWQOJO-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1CCN1C(=O)CC[NH+](C)C)[NH+](C)C ZINC001417042449 905856897 /nfs/dbraw/zinc/85/68/97/905856897.db2.gz HABLLZHWPUQWSD-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCC(=O)NCC1(NC(=O)CC[NH+](C)C)CC1 ZINC001417194407 905875513 /nfs/dbraw/zinc/87/55/13/905875513.db2.gz FKGUQRLCZAFQGS-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001417742689 906039467 /nfs/dbraw/zinc/03/94/67/906039467.db2.gz AMZFPMWCFQSXFP-OLZOCXBDSA-N 2 0 287.404 -0.522 20 0 CBADRP Cn1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)CC[NH+](C)C)C2)nn1 ZINC001417769828 906046069 /nfs/dbraw/zinc/04/60/69/906046069.db2.gz OFUNNKFALYYBPT-TXEJJXNPSA-N 2 0 294.403 -0.249 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC)C1)[NH+](C)C ZINC001417788585 906050513 /nfs/dbraw/zinc/05/05/13/906050513.db2.gz XJXBLMVFJSNEPA-ZDEQEGDKSA-N 2 0 298.431 -0.055 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH]cn2)C1)C(N)=O ZINC001417789478 906050547 /nfs/dbraw/zinc/05/05/47/906050547.db2.gz ALAAZBSDPJKFEK-NHCYSSNCSA-N 2 0 293.371 -0.300 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001417781544 906051507 /nfs/dbraw/zinc/05/15/07/906051507.db2.gz RCCDOZNCXDJAAF-RWMBFGLXSA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CC(N)=O)C1 ZINC001417814936 906059401 /nfs/dbraw/zinc/05/94/01/906059401.db2.gz QCQQKQFYLMMRQB-UPJWGTAASA-N 2 0 296.415 -0.360 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](CCCO)CC1 ZINC001417917343 906104706 /nfs/dbraw/zinc/10/47/06/906104706.db2.gz LUQMPJUOMKMTMN-AWEZNQCLSA-N 2 0 298.431 -0.803 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001417994754 906132090 /nfs/dbraw/zinc/13/20/90/906132090.db2.gz OFIBQPKJKOMPLC-JQWIXIFHSA-N 2 0 284.404 -0.443 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nncn2C)C1 ZINC001418069919 906157958 /nfs/dbraw/zinc/15/79/58/906157958.db2.gz BVBHQZYKJATRIF-HAQNSBGRSA-N 2 0 294.403 -0.106 20 0 CBADRP CCn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001418103947 906168815 /nfs/dbraw/zinc/16/88/15/906168815.db2.gz MKNKDKJHRMOGAB-TXEJJXNPSA-N 2 0 294.403 -0.014 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nncn2C)C1 ZINC001418108113 906173011 /nfs/dbraw/zinc/17/30/11/906173011.db2.gz HANDUYZSQUNLPK-TXEJJXNPSA-N 2 0 294.403 -0.106 20 0 CBADRP CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001418121429 906176200 /nfs/dbraw/zinc/17/62/00/906176200.db2.gz DOPRVFODBDYJKP-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC(=O)N(C)C ZINC001418226569 906221538 /nfs/dbraw/zinc/22/15/38/906221538.db2.gz LLTSGXACXNSSHN-WCQYABFASA-N 2 0 296.415 -0.489 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001418232076 906228265 /nfs/dbraw/zinc/22/82/65/906228265.db2.gz BRKQOXIHIZKKHH-WDEREUQCSA-N 2 0 284.404 -0.301 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001418237634 906234843 /nfs/dbraw/zinc/23/48/43/906234843.db2.gz PRPOLJUVUBWJJQ-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001418244505 906238100 /nfs/dbraw/zinc/23/81/00/906238100.db2.gz YQAMERCNXZWLNO-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001418261580 906241900 /nfs/dbraw/zinc/24/19/00/906241900.db2.gz AASVOEXJCZVQPR-AGIUHOORSA-N 2 0 287.404 -0.428 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001418261581 906242280 /nfs/dbraw/zinc/24/22/80/906242280.db2.gz AASVOEXJCZVQPR-AVGNSLFASA-N 2 0 287.404 -0.428 20 0 CBADRP C[C@@H](O)C[NH2+][C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001418302832 906268359 /nfs/dbraw/zinc/26/83/59/906268359.db2.gz JVUUKYNJYLRSGB-VXGBXAGGSA-N 2 0 287.404 -0.428 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001418314794 906276690 /nfs/dbraw/zinc/27/66/90/906276690.db2.gz VDMPQICHMWMQHA-GFCCVEGCSA-N 2 0 286.420 -0.101 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001418346898 906291242 /nfs/dbraw/zinc/29/12/42/906291242.db2.gz VFPULBJXQYXRPY-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001418341593 906292230 /nfs/dbraw/zinc/29/22/30/906292230.db2.gz DQICQUREIVXBLN-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001418352035 906296945 /nfs/dbraw/zinc/29/69/45/906296945.db2.gz GVTISDKOVSEWID-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001418418489 906315076 /nfs/dbraw/zinc/31/50/76/906315076.db2.gz FOCYALPYBMCYHD-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](CCNC(=O)Cc1ncc[nH]1)[NH2+]CCn1cncn1 ZINC001418430238 906319059 /nfs/dbraw/zinc/31/90/59/906319059.db2.gz NRASMVAHTRPPIS-LLVKDONJSA-N 2 0 291.359 -0.272 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001418431975 906321804 /nfs/dbraw/zinc/32/18/04/906321804.db2.gz QZULRXURJTWHMW-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CCn1cncn1 ZINC001418486184 906357799 /nfs/dbraw/zinc/35/77/99/906357799.db2.gz FDXRGAKGQVBZMT-GFCCVEGCSA-N 2 0 280.376 -0.580 20 0 CBADRP COC[C@H](O)C[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001418513240 906380495 /nfs/dbraw/zinc/38/04/95/906380495.db2.gz WFTUPYFHTNMFKK-CHWSQXEVSA-N 2 0 287.404 -0.617 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC001418539018 906402083 /nfs/dbraw/zinc/40/20/83/906402083.db2.gz HQSPRUOLMJVECO-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001418669896 906442505 /nfs/dbraw/zinc/44/25/05/906442505.db2.gz CSPKTUWUXNQPKS-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001418669901 906442537 /nfs/dbraw/zinc/44/25/37/906442537.db2.gz CSPKTUWUXNQPKS-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)CCC1 ZINC001418659559 906443972 /nfs/dbraw/zinc/44/39/72/906443972.db2.gz OJLFWHPGUQMAKD-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001418691389 906450056 /nfs/dbraw/zinc/45/00/56/906450056.db2.gz ALIDVPVBSPUORG-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001418701558 906451703 /nfs/dbraw/zinc/45/17/03/906451703.db2.gz KBIRWIPMIZSFRM-CYDGBPFRSA-N 2 0 296.415 -0.314 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001418706088 906453278 /nfs/dbraw/zinc/45/32/78/906453278.db2.gz HIKJPDPIMKQVKL-XYPYZODXSA-N 2 0 270.377 -0.704 20 0 CBADRP CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001418831928 906488790 /nfs/dbraw/zinc/48/87/90/906488790.db2.gz PQXBKZQZNHPPMV-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001418831882 906489246 /nfs/dbraw/zinc/48/92/46/906489246.db2.gz PQXBKZQZNHPPMV-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001418934854 906517408 /nfs/dbraw/zinc/51/74/08/906517408.db2.gz MFABOODNRZANMX-STQMWFEESA-N 2 0 296.415 -0.406 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001419058684 906583847 /nfs/dbraw/zinc/58/38/47/906583847.db2.gz GGMVFBLNNOSWPW-XJFOESAGSA-N 2 0 299.415 -0.476 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001419215974 906641125 /nfs/dbraw/zinc/64/11/25/906641125.db2.gz GDDRJIGPGNHIIU-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP O=C(NC[C@@H]([NH2+]CCO)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001419249369 906648433 /nfs/dbraw/zinc/64/84/33/906648433.db2.gz ISXBUFCHRYEWAB-ZIAGYGMSSA-N 2 0 281.400 -0.195 20 0 CBADRP O=C(NC[C@@H]([NH2+]CCO)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001419249365 906648681 /nfs/dbraw/zinc/64/86/81/906648681.db2.gz ISXBUFCHRYEWAB-UONOGXRCSA-N 2 0 281.400 -0.195 20 0 CBADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1)C(N)=O ZINC001419385448 906672207 /nfs/dbraw/zinc/67/22/07/906672207.db2.gz NFQJVAZWLXMVBN-SRVKXCTJSA-N 2 0 284.404 -0.171 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001419387428 906673027 /nfs/dbraw/zinc/67/30/27/906673027.db2.gz UBCCBMUEGPVZGZ-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C1 ZINC001419403376 906679459 /nfs/dbraw/zinc/67/94/59/906679459.db2.gz LOOQQDAASCOBQG-AVGNSLFASA-N 2 0 296.415 -0.156 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001419422069 906682920 /nfs/dbraw/zinc/68/29/20/906682920.db2.gz GVPLQGUQCQRJKO-JOCQHMNTSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001419537520 906716999 /nfs/dbraw/zinc/71/69/99/906716999.db2.gz DUXBXNUAOCKDCM-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001419538284 906717525 /nfs/dbraw/zinc/71/75/25/906717525.db2.gz FPFORSKQNGXTHZ-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001419580294 906735832 /nfs/dbraw/zinc/73/58/32/906735832.db2.gz MRFLETGHVWWCBS-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001419732412 906791071 /nfs/dbraw/zinc/79/10/71/906791071.db2.gz GFFLZLGHJSVCSZ-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)NC1CC1 ZINC001419824086 906824069 /nfs/dbraw/zinc/82/40/69/906824069.db2.gz AVLVIDKMKZMKBP-NSHDSACASA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H]1CCNC1=O ZINC001419826512 906827336 /nfs/dbraw/zinc/82/73/36/906827336.db2.gz BJZWWCQESDQHSI-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001419848548 906830970 /nfs/dbraw/zinc/83/09/70/906830970.db2.gz JAXOEUWGHUBNKT-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001419836571 906832257 /nfs/dbraw/zinc/83/22/57/906832257.db2.gz JCDAALZEIUWYKE-WCQYABFASA-N 2 0 286.420 -0.245 20 0 CBADRP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001419902642 906849905 /nfs/dbraw/zinc/84/99/05/906849905.db2.gz ONHURLQBDFNSMP-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001419904766 906853401 /nfs/dbraw/zinc/85/34/01/906853401.db2.gz QIXKUZLEPKARTD-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@H](C)C(N)=O ZINC001419904158 906854334 /nfs/dbraw/zinc/85/43/34/906854334.db2.gz NMXQOGLHFCZBOO-NEPJUHHUSA-N 2 0 298.431 -0.068 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001419909079 906856135 /nfs/dbraw/zinc/85/61/35/906856135.db2.gz QHBPOLNDWQMNTI-QWHCGFSZSA-N 2 0 298.431 -0.195 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001420005454 906895528 /nfs/dbraw/zinc/89/55/28/906895528.db2.gz GQCRRDVADIUDFP-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001420010527 906896186 /nfs/dbraw/zinc/89/61/86/906896186.db2.gz IDSNOHISBMRZLL-STQMWFEESA-N 2 0 296.415 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001420013634 906899982 /nfs/dbraw/zinc/89/99/82/906899982.db2.gz XJYQPPAZZHPVNI-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP COC[C@H](C)[NH2+]C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001420142388 906968246 /nfs/dbraw/zinc/96/82/46/906968246.db2.gz QFXGDZPZXOZAJU-RYUDHWBXSA-N 2 0 287.404 -0.428 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]Cc1cncs1 ZINC001420150196 906970959 /nfs/dbraw/zinc/97/09/59/906970959.db2.gz UONRMQIPHRLKGR-JTQLQIEISA-N 2 0 286.401 -0.339 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001420164957 906979907 /nfs/dbraw/zinc/97/99/07/906979907.db2.gz SDDCBJFAKWOIPM-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001420167008 906980374 /nfs/dbraw/zinc/98/03/74/906980374.db2.gz ZEAVICMMEMQERQ-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccns2)C1 ZINC001420187524 907000245 /nfs/dbraw/zinc/00/02/45/907000245.db2.gz FQUXOWIMQRZTHO-QWRGUYRKSA-N 2 0 298.412 -0.339 20 0 CBADRP CC[C@@H](F)C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001420189353 907001612 /nfs/dbraw/zinc/00/16/12/907001612.db2.gz JAOSDYGOMFGBCH-NEPJUHHUSA-N 2 0 275.368 -0.103 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001420226695 907028833 /nfs/dbraw/zinc/02/88/33/907028833.db2.gz GMSIOWFNODJPTM-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001420243936 907043038 /nfs/dbraw/zinc/04/30/38/907043038.db2.gz NPCWDBCDVKDUGY-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001420270070 907059636 /nfs/dbraw/zinc/05/96/36/907059636.db2.gz BGCBNDBZECTSHE-NEPJUHHUSA-N 2 0 284.404 -0.301 20 0 CBADRP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C(N)=O ZINC001420299931 907082514 /nfs/dbraw/zinc/08/25/14/907082514.db2.gz MPCCKIKIPWPVCK-UTUOFQBUSA-N 2 0 286.420 -0.069 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)CCC[NH+](C)C ZINC001420333911 907106446 /nfs/dbraw/zinc/10/64/46/907106446.db2.gz JTNKPADETBPPRZ-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CCCNC(=O)CN(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420345361 907112952 /nfs/dbraw/zinc/11/29/52/907112952.db2.gz MARINDFSDIOQKE-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001420449440 907163602 /nfs/dbraw/zinc/16/36/02/907163602.db2.gz UFLDCKBUBWQSNF-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001420449435 907167358 /nfs/dbraw/zinc/16/73/58/907167358.db2.gz UFLDCKBUBWQSNF-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP Cc1cncn1CC(=O)NC[C@@H]1CCCN1[C@H](C)C(N)=O ZINC001420467675 907173887 /nfs/dbraw/zinc/17/38/87/907173887.db2.gz KDBZOMQCEZZVQH-NEPJUHHUSA-N 2 0 293.371 -0.354 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001420535073 907197099 /nfs/dbraw/zinc/19/70/99/907197099.db2.gz DWUBUDKPXCEWDI-RYUDHWBXSA-N 2 0 282.388 -0.748 20 0 CBADRP CNC(=O)CN(CCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001420669337 907262198 /nfs/dbraw/zinc/26/21/98/907262198.db2.gz DPRXVXQGNDRALR-UHFFFAOYSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001420711484 907272361 /nfs/dbraw/zinc/27/23/61/907272361.db2.gz CRYMZRVGUKEBFW-VXGBXAGGSA-N 2 0 282.388 -0.641 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001420745943 907293176 /nfs/dbraw/zinc/29/31/76/907293176.db2.gz HKNHTWSZDYZWMY-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001420745940 907296232 /nfs/dbraw/zinc/29/62/32/907296232.db2.gz HKNHTWSZDYZWMY-OLZOCXBDSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)C1(C(=O)NCC[C@@H]2CC[N@H+](CC(N)=O)C2)CCC1 ZINC001420855820 907327727 /nfs/dbraw/zinc/32/77/27/907327727.db2.gz HRQOAYOTUHKYNH-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001420882671 907335238 /nfs/dbraw/zinc/33/52/38/907335238.db2.gz BZCKRIAQQIDTPA-STQMWFEESA-N 2 0 296.415 -0.358 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001420890877 907343733 /nfs/dbraw/zinc/34/37/33/907343733.db2.gz MTTBYNNUTYRQJZ-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001420936684 907363332 /nfs/dbraw/zinc/36/33/32/907363332.db2.gz IAWDOBSUJZJPFX-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001420937980 907367102 /nfs/dbraw/zinc/36/71/02/907367102.db2.gz GKIBGBNJELZMEP-VXGBXAGGSA-N 2 0 284.404 -0.408 20 0 CBADRP COC[C@H](O)C[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001420970621 907375341 /nfs/dbraw/zinc/37/53/41/907375341.db2.gz SUATULLDOLHTLT-CYBMUJFWSA-N 2 0 299.415 -0.426 20 0 CBADRP COC[C@H](O)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001420976953 907382338 /nfs/dbraw/zinc/38/23/38/907382338.db2.gz MOSOTONFBINYPL-CHWSQXEVSA-N 2 0 299.415 -0.426 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC(=O)NC)CC1 ZINC001420994790 907385253 /nfs/dbraw/zinc/38/52/53/907385253.db2.gz UDWMMIJBWFYOQS-UHFFFAOYSA-N 2 0 270.377 -0.687 20 0 CBADRP CC[C@@H](C(=O)NCC1([NH2+]CC(=O)NC2CC2)CC1)[NH+](C)C ZINC001420994923 907386166 /nfs/dbraw/zinc/38/61/66/907386166.db2.gz MEYQCPJBBWHGCB-LBPRGKRZSA-N 2 0 296.415 -0.156 20 0 CBADRP CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001502026417 921320527 /nfs/dbraw/zinc/32/05/27/921320527.db2.gz QOVJHACJVRWPQT-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CC[NH+](C)C ZINC001421097219 907425475 /nfs/dbraw/zinc/42/54/75/907425475.db2.gz AULSLDYFWCVUFO-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001421097046 907425964 /nfs/dbraw/zinc/42/59/64/907425964.db2.gz AATIGKJFBOQUSY-VXGBXAGGSA-N 2 0 284.404 -0.219 20 0 CBADRP CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001421257099 907475045 /nfs/dbraw/zinc/47/50/45/907475045.db2.gz VBVYCYXEQOGOSG-DOMZBBRYSA-N 2 0 296.415 -0.488 20 0 CBADRP CNC(=O)CN1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001421306698 907484818 /nfs/dbraw/zinc/48/48/18/907484818.db2.gz AQSCYBMRKKUHRR-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001421393331 907523709 /nfs/dbraw/zinc/52/37/09/907523709.db2.gz RZFZELYYXRPEPQ-DZGCQCFKSA-N 2 0 299.415 -0.472 20 0 CBADRP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)C(=O)NC ZINC001421439168 907546788 /nfs/dbraw/zinc/54/67/88/907546788.db2.gz DRLHHJWHWMALKE-WDEREUQCSA-N 2 0 272.393 -0.443 20 0 CBADRP CN(C[C@H](O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)CC(F)(F)F ZINC001421487742 907563803 /nfs/dbraw/zinc/56/38/03/907563803.db2.gz XKZYKOSADHUBQG-DCAQKATOSA-N 2 0 281.322 -0.007 20 0 CBADRP CNC(=O)C[NH2+]C[C@@](C)(NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001421571918 907581235 /nfs/dbraw/zinc/58/12/35/907581235.db2.gz QOEDLCQTNOYRMW-OAHLLOKOSA-N 2 0 298.431 -0.053 20 0 CBADRP COC[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001421575759 907584049 /nfs/dbraw/zinc/58/40/49/907584049.db2.gz YFYGSXGXTDLRPJ-MJBXVCDLSA-N 2 0 299.415 -0.664 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(=O)N(C)C ZINC001421688364 907614482 /nfs/dbraw/zinc/61/44/82/907614482.db2.gz DMMKCZCFCBZMOO-YNEHKIRRSA-N 2 0 298.431 -0.243 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001421698448 907617588 /nfs/dbraw/zinc/61/75/88/907617588.db2.gz HJJIXUMVEMTQOJ-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001421715755 907625907 /nfs/dbraw/zinc/62/59/07/907625907.db2.gz HHVSXYWHTJCUBK-WCQYABFASA-N 2 0 296.419 -0.003 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001421759612 907635789 /nfs/dbraw/zinc/63/57/89/907635789.db2.gz OMRWNQQAMCJKMM-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP CNC(=O)C[N@H+](C)CCCN(C)C(=O)C[NH+](C)C(C)C ZINC001421903067 907673304 /nfs/dbraw/zinc/67/33/04/907673304.db2.gz QWDLARRTTANXSK-UHFFFAOYSA-N 2 0 286.420 -0.147 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001421932445 907682377 /nfs/dbraw/zinc/68/23/77/907682377.db2.gz SRHLXJCFEZHVNU-NSHDSACASA-N 2 0 282.388 -0.463 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001421945182 907685119 /nfs/dbraw/zinc/68/51/19/907685119.db2.gz ZOGRZWTZEUESHE-NEPJUHHUSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001421989710 907699276 /nfs/dbraw/zinc/69/92/76/907699276.db2.gz MHHKHYULVNASRU-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001421985219 907700045 /nfs/dbraw/zinc/70/00/45/907700045.db2.gz DYIRPZGKMVJWIA-QWRGUYRKSA-N 2 0 270.377 -0.750 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001422069638 907712795 /nfs/dbraw/zinc/71/27/95/907712795.db2.gz XSASVOSXQRXJMJ-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(N)=O ZINC001422111510 907721589 /nfs/dbraw/zinc/72/15/89/907721589.db2.gz XOSXMDZWSCYPMH-NWDGAFQWSA-N 2 0 284.404 -0.456 20 0 CBADRP NC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001422260261 907761473 /nfs/dbraw/zinc/76/14/73/907761473.db2.gz SQAZSXANRKDHMY-KGPNIALWSA-N 2 0 294.399 -0.702 20 0 CBADRP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)cn1 ZINC001422268155 907768936 /nfs/dbraw/zinc/76/89/36/907768936.db2.gz SSGMWIWICHRNOO-STQMWFEESA-N 2 0 295.387 -0.919 20 0 CBADRP C[NH+](C)CCCC(=O)NC1CC(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001422275094 907773155 /nfs/dbraw/zinc/77/31/55/907773155.db2.gz XPFWUFIFFFOBHX-WXRRBKDZSA-N 2 0 296.415 -0.299 20 0 CBADRP COC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001422345075 907810172 /nfs/dbraw/zinc/81/01/72/907810172.db2.gz IVWZHLYEONPDQF-DGCLKSJQSA-N 2 0 287.404 -0.570 20 0 CBADRP Cc1cncc(C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)c1 ZINC001422348972 907815681 /nfs/dbraw/zinc/81/56/81/907815681.db2.gz PYBLMXBYKQTIHD-CQSZACIVSA-N 2 0 294.399 -0.092 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)NC ZINC001422419937 907850383 /nfs/dbraw/zinc/85/03/83/907850383.db2.gz OSBOAIBZHJACPO-MNOVXSKESA-N 2 0 272.393 -0.443 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001422460488 907869038 /nfs/dbraw/zinc/86/90/38/907869038.db2.gz MRGCQKRLZLJTNC-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001422456695 907870276 /nfs/dbraw/zinc/87/02/76/907870276.db2.gz DNYSMYNRZIEEBJ-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCCN(C)C1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001422537377 907915774 /nfs/dbraw/zinc/91/57/74/907915774.db2.gz ZDQVBEBWCBXCJZ-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001422549408 907917420 /nfs/dbraw/zinc/91/74/20/907917420.db2.gz KRPJQPFQTLNMLS-XQHKEYJVSA-N 2 0 298.431 -0.055 20 0 CBADRP CC[C@H]([NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C(N)=O ZINC001422546959 907917673 /nfs/dbraw/zinc/91/76/73/907917673.db2.gz MPCCKIKIPWPVCK-GRYCIOLGSA-N 2 0 286.420 -0.069 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC1CC1)[NH+](C)C ZINC001422553517 907917687 /nfs/dbraw/zinc/91/76/87/907917687.db2.gz NBFCUQYMMGCGCI-PWSUYJOCSA-N 2 0 284.404 -0.301 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NC)[NH+](C)C ZINC001422554984 907919133 /nfs/dbraw/zinc/91/91/33/907919133.db2.gz YGDMAIDXUCTYJL-VWYCJHECSA-N 2 0 272.393 -0.445 20 0 CBADRP CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001422548302 907920731 /nfs/dbraw/zinc/92/07/31/907920731.db2.gz AZBJCMPOXWTQQY-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)CCC[NH+](C)C ZINC001422550905 907921762 /nfs/dbraw/zinc/92/17/62/907921762.db2.gz MYNQRQFUTXEBAQ-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001422658242 907968923 /nfs/dbraw/zinc/96/89/23/907968923.db2.gz AWQHQGHEQXOEIR-WCQYABFASA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001422660341 907970543 /nfs/dbraw/zinc/97/05/43/907970543.db2.gz ODQVDEOHXXELCU-NWDGAFQWSA-N 2 0 296.415 -0.170 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001422662751 907972165 /nfs/dbraw/zinc/97/21/65/907972165.db2.gz XAZFGOHKVBOAOJ-JTQLQIEISA-N 2 0 270.377 -0.689 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001422694676 907975491 /nfs/dbraw/zinc/97/54/91/907975491.db2.gz BZQMGENUGSHMQY-SRVKXCTJSA-N 2 0 284.404 -0.301 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@](CO)([NH2+]CCCO)C2)C1 ZINC001502599471 921369972 /nfs/dbraw/zinc/36/99/72/921369972.db2.gz ADYOIWBVWBGXFE-ZFWWWQNUSA-N 2 0 299.415 -0.736 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@](CO)([NH2+]CCCO)C2)C1 ZINC001502599469 921370044 /nfs/dbraw/zinc/37/00/44/921370044.db2.gz ADYOIWBVWBGXFE-HIFRSBDPSA-N 2 0 299.415 -0.736 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001422913650 908057968 /nfs/dbraw/zinc/05/79/68/908057968.db2.gz JCOXAKSPWTYNRU-NQBHXWOUSA-N 2 0 296.415 -0.314 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001422986885 908068670 /nfs/dbraw/zinc/06/86/70/908068670.db2.gz MSSXIEJFRFRPMJ-OLZOCXBDSA-N 2 0 296.415 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001423037209 908086556 /nfs/dbraw/zinc/08/65/56/908086556.db2.gz FHTGVEQDDZZCPM-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCN1CCCC1=O ZINC001423108148 908110613 /nfs/dbraw/zinc/11/06/13/908110613.db2.gz RRJWAAISEKLGEG-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001423167495 908125231 /nfs/dbraw/zinc/12/52/31/908125231.db2.gz NIBDOZKTEAZAQR-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001423167522 908126876 /nfs/dbraw/zinc/12/68/76/908126876.db2.gz NIBDOZKTEAZAQR-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CO[C@@H](C)C[NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001423225126 908168106 /nfs/dbraw/zinc/16/81/06/908168106.db2.gz DSFOXQSXSKKEHW-STQMWFEESA-N 2 0 299.415 -0.284 20 0 CBADRP CO[C@H](C)C[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001423225101 908168221 /nfs/dbraw/zinc/16/82/21/908168221.db2.gz DSFOXQSXSKKEHW-CHWSQXEVSA-N 2 0 299.415 -0.284 20 0 CBADRP C[NH+](C)CCC(=O)NCC1([NH2+]CC(=O)N2CCCC2)CC1 ZINC001423269530 908186483 /nfs/dbraw/zinc/18/64/83/908186483.db2.gz CJDQIEZCCWZHQA-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CC1)C(N)=O ZINC001423278447 908189097 /nfs/dbraw/zinc/18/90/97/908189097.db2.gz FPZCFYJPDXYWIK-GFCCVEGCSA-N 2 0 296.415 -0.170 20 0 CBADRP CO[C@H](C)C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001423293894 908190921 /nfs/dbraw/zinc/19/09/21/908190921.db2.gz JJBHELPIELVHSE-NEPJUHHUSA-N 2 0 285.388 -0.816 20 0 CBADRP CO[C@@H](C)C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001423293898 908194830 /nfs/dbraw/zinc/19/48/30/908194830.db2.gz JJBHELPIELVHSE-RYUDHWBXSA-N 2 0 285.388 -0.816 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1)C(N)=O ZINC001423295735 908194865 /nfs/dbraw/zinc/19/48/65/908194865.db2.gz ZRZVVZHOGRUMAT-SNVBAGLBSA-N 2 0 280.372 -0.806 20 0 CBADRP Cn1nncc1C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001423304819 908197925 /nfs/dbraw/zinc/19/79/25/908197925.db2.gz UYSXGIUNJAKDJY-NSHDSACASA-N 2 0 292.387 -0.495 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC2CCOCC2)C1 ZINC001423307720 908198244 /nfs/dbraw/zinc/19/82/44/908198244.db2.gz QTZGONKBPYIOIH-KGLIPLIRSA-N 2 0 299.415 -0.569 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]Cc1cncs1 ZINC001423309198 908199826 /nfs/dbraw/zinc/19/98/26/908199826.db2.gz TVBMWGHHAIVYGT-LLVKDONJSA-N 2 0 298.412 -0.194 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CCC[NH+](C)C ZINC001423348598 908210916 /nfs/dbraw/zinc/21/09/16/908210916.db2.gz JOMJERBJLRFTEJ-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC001423409686 908221702 /nfs/dbraw/zinc/22/17/02/908221702.db2.gz YEXLZAJLJDWDTK-NSHDSACASA-N 2 0 284.404 -0.362 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001423406473 908222306 /nfs/dbraw/zinc/22/23/06/908222306.db2.gz USQKHKRVHRVWRT-NEPJUHHUSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001423406489 908223821 /nfs/dbraw/zinc/22/38/21/908223821.db2.gz USQKHKRVHRVWRT-VXGBXAGGSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001423464673 908249052 /nfs/dbraw/zinc/24/90/52/908249052.db2.gz MNLXEKWFHPFFJH-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C)C(N)=O ZINC001423480678 908250075 /nfs/dbraw/zinc/25/00/75/908250075.db2.gz WGWBFFDFWVBTHJ-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001423480476 908251934 /nfs/dbraw/zinc/25/19/34/908251934.db2.gz FJKUCYZOKBNDSV-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O)[NH+](C)C ZINC001423495884 908256862 /nfs/dbraw/zinc/25/68/62/908256862.db2.gz NRQQZMOVGBWUDC-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CCCC1 ZINC001423515680 908266060 /nfs/dbraw/zinc/26/60/60/908266060.db2.gz OJECZWHCTXGJDN-OLZOCXBDSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001423530762 908274189 /nfs/dbraw/zinc/27/41/89/908274189.db2.gz HQKNDEKTHDEHPW-OLZOCXBDSA-N 2 0 299.415 -0.786 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001423569238 908284254 /nfs/dbraw/zinc/28/42/54/908284254.db2.gz BELGTNHVYOUXLX-GZBFAFLISA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001423975217 908377168 /nfs/dbraw/zinc/37/71/68/908377168.db2.gz PCFSQTHRUSKEHA-NEPJUHHUSA-N 2 0 296.415 -0.360 20 0 CBADRP CCN1CCO[C@@H](C(=O)NCC2([NH2+]C[C@H](C)O)CCC2)C1 ZINC001424212901 908422515 /nfs/dbraw/zinc/42/25/15/908422515.db2.gz GPNFSMLICAZXEL-QWHCGFSZSA-N 2 0 299.415 -0.284 20 0 CBADRP CCN1CCO[C@@H](C(=O)NCC2([NH2+]CCO)CCC2)C1 ZINC001424214396 908423213 /nfs/dbraw/zinc/42/32/13/908423213.db2.gz IPLMJDJNPJPGGX-GFCCVEGCSA-N 2 0 285.388 -0.672 20 0 CBADRP CCN1CCO[C@H](C(=O)NCC2([NH2+]C[C@@H](C)O)CCC2)C1 ZINC001424212887 908423410 /nfs/dbraw/zinc/42/34/10/908423410.db2.gz GPNFSMLICAZXEL-OLZOCXBDSA-N 2 0 299.415 -0.284 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)CCC[NH+](C)[C@@H]1CCNC1=O ZINC001424329128 908444598 /nfs/dbraw/zinc/44/45/98/908444598.db2.gz HHOQOXCXBGGSMY-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001424403061 908453705 /nfs/dbraw/zinc/45/37/05/908453705.db2.gz GABHZBJUUQWVTN-ZFWWWQNUSA-N 2 0 299.415 -0.594 20 0 CBADRP C[C@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001424403030 908454838 /nfs/dbraw/zinc/45/48/38/908454838.db2.gz GABHZBJUUQWVTN-DZGCQCFKSA-N 2 0 299.415 -0.594 20 0 CBADRP C[C@@H]([NH2+]CC1CC(NC(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC001424722352 908492891 /nfs/dbraw/zinc/49/28/91/908492891.db2.gz AABFXNVGOCCRHD-VOMCLLRMSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NC2CC(C[NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001424733955 908493395 /nfs/dbraw/zinc/49/33/95/908493395.db2.gz ZZIVFMLENGGWTC-QCXCNERSSA-N 2 0 296.415 -0.314 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001424741225 908497751 /nfs/dbraw/zinc/49/77/51/908497751.db2.gz JAXJFQXXIYKKCQ-PNESKVBLSA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@H]1CCNC1=O ZINC001425047808 908557960 /nfs/dbraw/zinc/55/79/60/908557960.db2.gz ACOJMNWXBGRPFB-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)NC(=O)CC[NH+](C)C ZINC001425170360 908579982 /nfs/dbraw/zinc/57/99/82/908579982.db2.gz WWAIVSIAOVFNQE-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001425166749 908580726 /nfs/dbraw/zinc/58/07/26/908580726.db2.gz VGRUQJGIPMIPOV-OLZOCXBDSA-N 2 0 298.431 -0.114 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001425412017 908639631 /nfs/dbraw/zinc/63/96/31/908639631.db2.gz FHXKCXVTHQGOSZ-JOCQHMNTSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001425414277 908643977 /nfs/dbraw/zinc/64/39/77/908643977.db2.gz DLRPMAKWBZLOSN-ZDEQEGDKSA-N 2 0 296.415 -0.314 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)[C@@H]1CCNC1=O ZINC001505444961 921427975 /nfs/dbraw/zinc/42/79/75/921427975.db2.gz LRAPHRFWHOKCIJ-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N(C)C ZINC001425548230 908674513 /nfs/dbraw/zinc/67/45/13/908674513.db2.gz PODDTMMWVHIQPT-NEPJUHHUSA-N 2 0 284.404 -0.395 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC001425666292 908690148 /nfs/dbraw/zinc/69/01/48/908690148.db2.gz UVFUGVIPJCGSAM-GHMZBOCLSA-N 2 0 272.393 -0.362 20 0 CBADRP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001425683510 908690324 /nfs/dbraw/zinc/69/03/24/908690324.db2.gz OEPXLXHVUKXGMW-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001425809411 908747006 /nfs/dbraw/zinc/74/70/06/908747006.db2.gz QFVVFPUJYJRBSX-NWDGAFQWSA-N 2 0 273.377 -0.959 20 0 CBADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H](CO)[NH2+]CCO)cc1 ZINC001425821777 908751430 /nfs/dbraw/zinc/75/14/30/908751430.db2.gz WVWFQQFLJWFOKE-CQSZACIVSA-N 2 0 295.383 -0.579 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H]1C ZINC001425881295 908772809 /nfs/dbraw/zinc/77/28/09/908772809.db2.gz JXMIZYFZWNSJBD-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@H]1C ZINC001425883427 908775079 /nfs/dbraw/zinc/77/50/79/908775079.db2.gz DQEFVMUHIMRXFH-OLZOCXBDSA-N 2 0 298.431 -0.006 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001425978967 908793167 /nfs/dbraw/zinc/79/31/67/908793167.db2.gz XFRRXNQBMXXDBK-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP CN(C[C@@H](O)C[NH2+]Cc1ccn(C)n1)C(=O)CC[NH+](C)C ZINC001426026958 908804148 /nfs/dbraw/zinc/80/41/48/908804148.db2.gz LIWUQNCQKHHLPB-ZDUSSCGKSA-N 2 0 297.403 -0.719 20 0 CBADRP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001426076888 908824274 /nfs/dbraw/zinc/82/42/74/908824274.db2.gz KLUGHLXWQYPZTQ-KGLIPLIRSA-N 2 0 299.415 -0.928 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C)CC1 ZINC001426170663 908839965 /nfs/dbraw/zinc/83/99/65/908839965.db2.gz YSSFJBKXASWEOK-LLVKDONJSA-N 2 0 298.431 -0.066 20 0 CBADRP CNC(=O)C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001426223382 908850636 /nfs/dbraw/zinc/85/06/36/908850636.db2.gz KVFIVULTMCJVJH-HIFPTAJRSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]CC(N)=O ZINC001505683257 921467203 /nfs/dbraw/zinc/46/72/03/921467203.db2.gz YTZINRDHBYDTKL-VHSXEESVSA-N 2 0 270.377 -0.704 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)NC ZINC001505725288 921473141 /nfs/dbraw/zinc/47/31/41/921473141.db2.gz RNTOWMALQHFJHH-MNOVXSKESA-N 2 0 272.393 -0.443 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001430297108 909324286 /nfs/dbraw/zinc/32/42/86/909324286.db2.gz XNNJYBVUXRIWNV-GFCCVEGCSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001430297083 909324894 /nfs/dbraw/zinc/32/48/94/909324894.db2.gz XEGYUPHOIWMDIW-UHFFFAOYSA-N 2 0 284.404 -0.395 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@H+](C)CCO ZINC001505920455 921500119 /nfs/dbraw/zinc/50/01/19/921500119.db2.gz NAKHRJYNJICUCS-AAEUAGOBSA-N 2 0 269.389 -0.243 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC1CN(C(=O)CCC[NH+](C)C)C1 ZINC001432264198 909600004 /nfs/dbraw/zinc/60/00/04/909600004.db2.gz BNRANSWCLXQVAI-UHFFFAOYSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001505991393 921520109 /nfs/dbraw/zinc/52/01/09/921520109.db2.gz RRFBOZJAFMYPIP-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCO)CC[N@@H+]1C ZINC001507498605 921856086 /nfs/dbraw/zinc/85/60/86/921856086.db2.gz AMVNNULFXYXJAM-AVGNSLFASA-N 2 0 287.404 -0.882 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@H]1CCNC1=O ZINC001506065071 921535477 /nfs/dbraw/zinc/53/54/77/921535477.db2.gz IPAZYADSWGGIGG-RYUDHWBXSA-N 2 0 284.404 -0.348 20 0 CBADRP C[NH+](C)CCC(=O)NCC1(NC(=O)C[NH+]2CCCC2)CC1 ZINC001433986828 909943814 /nfs/dbraw/zinc/94/38/14/909943814.db2.gz PDAPRHPYCSGYTG-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001436405205 910436849 /nfs/dbraw/zinc/43/68/49/910436849.db2.gz SXHDTOJPKZXPEU-AVGNSLFASA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001436419010 910441016 /nfs/dbraw/zinc/44/10/16/910441016.db2.gz YISZXRSRKRVFHM-FRRDWIJNSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001436405207 910442294 /nfs/dbraw/zinc/44/22/94/910442294.db2.gz SXHDTOJPKZXPEU-JHJVBQTASA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(=O)N(C)C ZINC001436437532 910442820 /nfs/dbraw/zinc/44/28/20/910442820.db2.gz GDUONNKGMCADRF-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001436791985 910487794 /nfs/dbraw/zinc/48/77/94/910487794.db2.gz NSESXXYXGUNQML-LBPRGKRZSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001436791980 910488427 /nfs/dbraw/zinc/48/84/27/910488427.db2.gz NSESXXYXGUNQML-GFCCVEGCSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]([NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1)C(N)=O ZINC001436825990 910494504 /nfs/dbraw/zinc/49/45/04/910494504.db2.gz IJVAFKWPIXWAKK-JQWIXIFHSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001436928707 910508243 /nfs/dbraw/zinc/50/82/43/910508243.db2.gz JBZBIYCYCDRGPP-AVGNSLFASA-N 2 0 285.388 -0.816 20 0 CBADRP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001436915659 910510561 /nfs/dbraw/zinc/51/05/61/910510561.db2.gz RJILIYVNNIJSRP-XYPYZODXSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001436960441 910517754 /nfs/dbraw/zinc/51/77/54/910517754.db2.gz OMTOOIOQHUZYHY-GRYCIOLGSA-N 2 0 282.388 -0.547 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001436979736 910520703 /nfs/dbraw/zinc/52/07/03/910520703.db2.gz UJKGBGUHSVIXBM-XQQFMLRXSA-N 2 0 296.415 -0.158 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001437120640 910550568 /nfs/dbraw/zinc/55/05/68/910550568.db2.gz FCSFOXFKYUTONQ-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[C@@H]([NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001437143293 910563298 /nfs/dbraw/zinc/56/32/98/910563298.db2.gz FPLIFILXXRZFPI-GHMZBOCLSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[C@H]([NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001437143295 910566948 /nfs/dbraw/zinc/56/69/48/910566948.db2.gz FPLIFILXXRZFPI-QWRGUYRKSA-N 2 0 284.404 -0.171 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001437161279 910568101 /nfs/dbraw/zinc/56/81/01/910568101.db2.gz AWXUFUYBNNLZGU-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CCn1cncn1 ZINC001437194016 910583093 /nfs/dbraw/zinc/58/30/93/910583093.db2.gz BYDMCXOSWBMAPM-LBPRGKRZSA-N 2 0 294.403 -0.286 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001437213901 910587717 /nfs/dbraw/zinc/58/77/17/910587717.db2.gz JXSLNRHLTVHNSG-WDEREUQCSA-N 2 0 284.404 -0.314 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001437218329 910588192 /nfs/dbraw/zinc/58/81/92/910588192.db2.gz ZOVYOJLXMAEKPS-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001437218845 910588388 /nfs/dbraw/zinc/58/83/88/910588388.db2.gz GKBUROHJCFXCIU-LBPRGKRZSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCn1cncn1 ZINC001437236717 910596840 /nfs/dbraw/zinc/59/68/40/910596840.db2.gz MKXKUFSRNXSREH-OLZOCXBDSA-N 2 0 294.403 -0.286 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCS(C)(=O)=O ZINC001437260451 910602828 /nfs/dbraw/zinc/60/28/28/910602828.db2.gz LOSCPEWQQKRLRB-GHMZBOCLSA-N 2 0 291.417 -0.923 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001437262569 910602906 /nfs/dbraw/zinc/60/29/06/910602906.db2.gz QMUGIKAICJANTG-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001437282193 910607437 /nfs/dbraw/zinc/60/74/37/910607437.db2.gz IITRTTFGRXHQDC-RYUDHWBXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001437309634 910610479 /nfs/dbraw/zinc/61/04/79/910610479.db2.gz CCZQGCGROLTVTK-RYUDHWBXSA-N 2 0 294.399 -0.606 20 0 CBADRP NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001437322185 910614488 /nfs/dbraw/zinc/61/44/88/910614488.db2.gz DZOPSJSVLUZCHS-ZDUSSCGKSA-N 2 0 296.415 -0.214 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001437836697 910761749 /nfs/dbraw/zinc/76/17/49/910761749.db2.gz HEYBCKKRDCGBDX-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)CC[NH2+][C@H]1CCN(C)C1=O ZINC001437836702 910766683 /nfs/dbraw/zinc/76/66/83/910766683.db2.gz HEYBCKKRDCGBDX-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C ZINC001437852818 910771490 /nfs/dbraw/zinc/77/14/90/910771490.db2.gz XIEOEQBUFGHXKP-STQMWFEESA-N 2 0 298.431 -0.149 20 0 CBADRP COC[C@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001438109369 910821785 /nfs/dbraw/zinc/82/17/85/910821785.db2.gz DOLXYDROGISXKB-OLZOCXBDSA-N 2 0 285.388 -0.864 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001438486922 910905464 /nfs/dbraw/zinc/90/54/64/910905464.db2.gz FVTQQYLZBVNIHI-SDDRHHMPSA-N 2 0 284.404 -0.456 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001438640839 910940363 /nfs/dbraw/zinc/94/03/63/910940363.db2.gz WBLDEXKXHKLEQM-MNOVXSKESA-N 2 0 270.377 -0.737 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001438637482 910942604 /nfs/dbraw/zinc/94/26/04/910942604.db2.gz OPKGHHDLRHULQE-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001438653409 910947267 /nfs/dbraw/zinc/94/72/67/910947267.db2.gz QQFVWZUXGNNREF-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001438650593 910948636 /nfs/dbraw/zinc/94/86/36/910948636.db2.gz ZYRSWDFFQXKLNF-JQWIXIFHSA-N 2 0 282.388 -0.750 20 0 CBADRP CC(C)[C@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@@H]1CCNC1=O ZINC001438815105 910971286 /nfs/dbraw/zinc/97/12/86/910971286.db2.gz VLAQFQOUIVDMJA-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001438965311 911022134 /nfs/dbraw/zinc/02/21/34/911022134.db2.gz PDKISOCIKZJUCS-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)on1 ZINC001438983554 911037375 /nfs/dbraw/zinc/03/73/75/911037375.db2.gz MSZNZVUSABHSJP-AAEUAGOBSA-N 2 0 296.371 -0.356 20 0 CBADRP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccnn1C)[NH+](C)C ZINC001438996851 911046049 /nfs/dbraw/zinc/04/60/49/911046049.db2.gz HELRFKNQBQZIHO-CHWSQXEVSA-N 2 0 297.403 -0.673 20 0 CBADRP COC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001438994054 911047845 /nfs/dbraw/zinc/04/78/45/911047845.db2.gz ANBCFJTZOFWPSI-QWHCGFSZSA-N 2 0 299.415 -0.284 20 0 CBADRP Cc1ncoc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439048009 911071349 /nfs/dbraw/zinc/07/13/49/911071349.db2.gz TVMQOBHCXUXNHR-NWDGAFQWSA-N 2 0 296.371 -0.499 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]Cc1cccnc1 ZINC001439040763 911075867 /nfs/dbraw/zinc/07/58/67/911075867.db2.gz FCYWIMYKKOIAQY-CQSZACIVSA-N 2 0 292.383 -0.256 20 0 CBADRP C[C@@H](CC[NH2+][C@@H](C)c1nnnn1C)NC(=O)CC[NH+](C)C ZINC001439066585 911080726 /nfs/dbraw/zinc/08/07/26/911080726.db2.gz RWVLOHMZZCSFCY-QWRGUYRKSA-N 2 0 297.407 -0.293 20 0 CBADRP CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001439138717 911113889 /nfs/dbraw/zinc/11/38/89/911113889.db2.gz LQKSRSNSCWDKBS-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439137808 911116456 /nfs/dbraw/zinc/11/64/56/911116456.db2.gz DOBXPPRPXANORK-NEPJUHHUSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001439151978 911118417 /nfs/dbraw/zinc/11/84/17/911118417.db2.gz GBTKXUCTUJKFON-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCCNC1=O)[NH+](C)C ZINC001439151041 911118520 /nfs/dbraw/zinc/11/85/20/911118520.db2.gz VDFRFIQGODHBJU-FRRDWIJNSA-N 2 0 298.431 -0.055 20 0 CBADRP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1)C(N)=O ZINC001439179187 911130419 /nfs/dbraw/zinc/13/04/19/911130419.db2.gz JKHRPQGHLSNJAZ-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001439220127 911142634 /nfs/dbraw/zinc/14/26/34/911142634.db2.gz GGAAAMLQIXVMBT-WCQYABFASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001439245626 911153100 /nfs/dbraw/zinc/15/31/00/911153100.db2.gz XFESPMYBEUFISX-ZDEQEGDKSA-N 2 0 296.415 -0.301 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001439268028 911161306 /nfs/dbraw/zinc/16/13/06/911161306.db2.gz FXFNCEAKCNMDGR-WDEREUQCSA-N 2 0 270.377 -0.832 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001439460984 911215171 /nfs/dbraw/zinc/21/51/71/911215171.db2.gz ZBHOYYSNTVANRS-CHWSQXEVSA-N 2 0 296.415 -0.170 20 0 CBADRP CNC(=O)C[NH2+]CCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001506944406 921646460 /nfs/dbraw/zinc/64/64/60/921646460.db2.gz ACQMZAFGJWQAEO-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)NC)CC1 ZINC001439614323 911260515 /nfs/dbraw/zinc/26/05/15/911260515.db2.gz WXVUWLZDXCLKMA-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP CN(C)C(=O)C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001439642147 911265151 /nfs/dbraw/zinc/26/51/51/911265151.db2.gz YRXGNWQJBGUHMT-UHFFFAOYSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001439783422 911288144 /nfs/dbraw/zinc/28/81/44/911288144.db2.gz ORGLXXQZXVXHKU-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CCC(=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001439826658 911293354 /nfs/dbraw/zinc/29/33/54/911293354.db2.gz CFCZNVJCXPMZFT-CQSZACIVSA-N 2 0 298.431 -0.851 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC[C@](C)(C[NH2+]CC(N)=O)C2)CCC1 ZINC001439885806 911308823 /nfs/dbraw/zinc/30/88/23/911308823.db2.gz GLRXOUFTVPIYDQ-CQSZACIVSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NC)C1 ZINC001439900903 911314341 /nfs/dbraw/zinc/31/43/41/911314341.db2.gz ISGKMULVKDAVNQ-HNNXBMFYSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCCO)C2)CC[N@@H+]1C ZINC001439992460 911334725 /nfs/dbraw/zinc/33/47/25/911334725.db2.gz YGMYRSYAYTYRQM-NFAWXSAZSA-N 2 0 299.415 -0.738 20 0 CBADRP COCC[N@@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001440013697 911351573 /nfs/dbraw/zinc/35/15/73/911351573.db2.gz VBKSKPUWEGEGSR-OAHLLOKOSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@H]([NH2+]CC(=O)N(C)C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001440114013 911387353 /nfs/dbraw/zinc/38/73/53/911387353.db2.gz GNZGMCJYCCSFLI-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001440148350 911387436 /nfs/dbraw/zinc/38/74/36/911387436.db2.gz KHSQFPKFMRNTSB-RWMBFGLXSA-N 2 0 296.415 -0.408 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001440379735 911440931 /nfs/dbraw/zinc/44/09/31/911440931.db2.gz UBMCPFZKJSEVPQ-IJLUTSLNSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001440374923 911442683 /nfs/dbraw/zinc/44/26/83/911442683.db2.gz LBGIJHHLJQGUML-JSGCOSHPSA-N 2 0 299.415 -0.332 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H](N2CC[NH+](CCO)CC2)C1 ZINC001440393004 911445504 /nfs/dbraw/zinc/44/55/04/911445504.db2.gz KZJMYUNWOFCOER-CQSZACIVSA-N 2 0 298.431 -0.851 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)CC(N)=O ZINC001440480234 911460871 /nfs/dbraw/zinc/46/08/71/911460871.db2.gz KRMDQCJPSZPOTH-UHFFFAOYSA-N 2 0 272.393 -0.408 20 0 CBADRP CC[C@H](C(=O)NC1CC(C[NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001440761477 911504139 /nfs/dbraw/zinc/50/41/39/911504139.db2.gz RNXVPFWBTPGRPV-WXRRBKDZSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001440816650 911516740 /nfs/dbraw/zinc/51/67/40/911516740.db2.gz IGLMJOZLTCHDMA-RYUDHWBXSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001440841176 911530581 /nfs/dbraw/zinc/53/05/81/911530581.db2.gz NDAPACCLENNHCW-QWRGUYRKSA-N 2 0 282.388 -0.689 20 0 CBADRP COC[C@H](O)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001441006588 911583304 /nfs/dbraw/zinc/58/33/04/911583304.db2.gz COIYKTVZJGQNLF-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP C[N@H+](CC(=O)NC1(CCO)CN(CCCO)C1)C1CCC1 ZINC001441045602 911594151 /nfs/dbraw/zinc/59/41/51/911594151.db2.gz LKNUTFXLJKZRFH-UHFFFAOYSA-N 2 0 299.415 -0.594 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001441132507 911614270 /nfs/dbraw/zinc/61/42/70/911614270.db2.gz GQGRNDCOOXZAJU-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]([NH2+]CC(=O)N1CCC1)C1CC1 ZINC001441233809 911631791 /nfs/dbraw/zinc/63/17/91/911631791.db2.gz WPRGBYORKLKONZ-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001441372851 911652891 /nfs/dbraw/zinc/65/28/91/911652891.db2.gz WBZIVUOGLXDOFL-AVGNSLFASA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001441380681 911655883 /nfs/dbraw/zinc/65/58/83/911655883.db2.gz RNXVPFWBTPGRPV-JHJVBQTASA-N 2 0 298.431 -0.101 20 0 CBADRP O=C(C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1)NC1CC1 ZINC001441435335 911670124 /nfs/dbraw/zinc/67/01/24/911670124.db2.gz FVWWCMKJTNROOS-JOCQHMNTSA-N 2 0 294.399 -0.402 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001441532007 911699847 /nfs/dbraw/zinc/69/98/47/911699847.db2.gz IGQHICCFHIKWIB-TXEJJXNPSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001441532052 911699861 /nfs/dbraw/zinc/69/98/61/911699861.db2.gz JBZBIYCYCDRGPP-UPJWGTAASA-N 2 0 285.388 -0.816 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001507125609 921685453 /nfs/dbraw/zinc/68/54/53/921685453.db2.gz ITAUUEXTWSGQFA-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001441581791 911712516 /nfs/dbraw/zinc/71/25/16/911712516.db2.gz BVLMJFNVRVVOEE-NEPJUHHUSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC(=O)N(C)C ZINC001441595469 911712748 /nfs/dbraw/zinc/71/27/48/911712748.db2.gz QLWPGWXSIGXSDT-NSHDSACASA-N 2 0 272.393 -0.537 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507126862 921685754 /nfs/dbraw/zinc/68/57/54/921685754.db2.gz OKKYEUATCINMCM-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP C[N@H+](CC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCOC1)C1CCC1 ZINC001441716802 911763789 /nfs/dbraw/zinc/76/37/89/911763789.db2.gz SYBFUPHDFNLJMC-OLZOCXBDSA-N 2 0 299.415 -0.426 20 0 CBADRP Cc1cccnc1C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001441756081 911780817 /nfs/dbraw/zinc/78/08/17/911780817.db2.gz XINUBHOZFLTPOC-CYBMUJFWSA-N 2 0 294.399 -0.092 20 0 CBADRP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+][C@H]1CCNC1=O ZINC001507150551 921692568 /nfs/dbraw/zinc/69/25/68/921692568.db2.gz YOSSUSHKZQMFKZ-RYUDHWBXSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCn1cncn1 ZINC001441837798 911829760 /nfs/dbraw/zinc/82/97/60/911829760.db2.gz FIHKAYRBXMLIGB-LBPRGKRZSA-N 2 0 294.403 -0.143 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H](CO)[NH2+]CCO)[NH+]1CCCC1 ZINC001441840085 911831338 /nfs/dbraw/zinc/83/13/38/911831338.db2.gz YVEGIOUSYVZYOB-CHWSQXEVSA-N 2 0 287.404 -0.834 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001441899523 911844267 /nfs/dbraw/zinc/84/42/67/911844267.db2.gz NFGZJDLTOBJQNX-QWHCGFSZSA-N 2 0 296.415 -0.297 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001441899526 911846859 /nfs/dbraw/zinc/84/68/59/911846859.db2.gz NFGZJDLTOBJQNX-STQMWFEESA-N 2 0 296.415 -0.297 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001441943391 911865648 /nfs/dbraw/zinc/86/56/48/911865648.db2.gz SIVXGPVHJAYIBZ-LBPRGKRZSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H]1CCCNC1=O ZINC001442010987 911893874 /nfs/dbraw/zinc/89/38/74/911893874.db2.gz OXBLQOCMIYGRLC-VXGBXAGGSA-N 2 0 294.399 -0.545 20 0 CBADRP CC(C)CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001442051479 911907973 /nfs/dbraw/zinc/90/79/73/911907973.db2.gz NQGCHDYTTWCPAU-STQMWFEESA-N 2 0 298.431 -0.195 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001442119931 911933174 /nfs/dbraw/zinc/93/31/74/911933174.db2.gz KMDJGSCVJKMQQE-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C)C1 ZINC001442174289 911941918 /nfs/dbraw/zinc/94/19/18/911941918.db2.gz KSGRFTYIPJNBDU-GHMZBOCLSA-N 2 0 284.404 -0.456 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001442336863 911972982 /nfs/dbraw/zinc/97/29/82/911972982.db2.gz HDFPYHHVFYQYJS-GHMZBOCLSA-N 2 0 295.391 -0.854 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001442336865 911976817 /nfs/dbraw/zinc/97/68/17/911976817.db2.gz HDFPYHHVFYQYJS-QWRGUYRKSA-N 2 0 295.391 -0.854 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001442908762 912124190 /nfs/dbraw/zinc/12/41/90/912124190.db2.gz RPDCDZZKHHVMLD-STQMWFEESA-N 2 0 296.415 -0.347 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001442899871 912125915 /nfs/dbraw/zinc/12/59/15/912125915.db2.gz BEDUFGUKMFPUSM-ZDUSSCGKSA-N 2 0 296.415 -0.344 20 0 CBADRP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC001442923543 912127343 /nfs/dbraw/zinc/12/73/43/912127343.db2.gz VCSUAMPYYNUFOK-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@H](C)C(N)=O)C1 ZINC001443348621 912188689 /nfs/dbraw/zinc/18/86/89/912188689.db2.gz YXCLBIMAOLDDDS-CHWSQXEVSA-N 2 0 298.431 -0.019 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCN1CC[NH+](C)CC1 ZINC001463834080 914931973 /nfs/dbraw/zinc/93/19/73/914931973.db2.gz RQBSESSWXREYID-AWEZNQCLSA-N 2 0 298.431 -0.682 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)C[C@H]1C ZINC001507337345 921811275 /nfs/dbraw/zinc/81/12/75/921811275.db2.gz CTKYHPNYWANLCP-CHWSQXEVSA-N 2 0 298.431 -0.006 20 0 CBADRP CCC[NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001507209364 921745796 /nfs/dbraw/zinc/74/57/96/921745796.db2.gz MXTUAEBWDJORRH-NSHDSACASA-N 2 0 257.378 -0.053 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001468765760 915325090 /nfs/dbraw/zinc/32/50/90/915325090.db2.gz JQFDWEVWDFTGMI-KGLIPLIRSA-N 2 0 297.447 -0.032 20 0 CBADRP CC1CC[NH+](CC(=O)NC[C@H](CO)[NH2+]CCCO)CC1 ZINC001507248544 921779586 /nfs/dbraw/zinc/77/95/86/921779586.db2.gz JMBMGWQGZBMWJP-CYBMUJFWSA-N 2 0 287.404 -0.833 20 0 CBADRP CCC[NH2+][C@H](CO)CNC(=O)COC1CC[NH+](C)CC1 ZINC001507250725 921783456 /nfs/dbraw/zinc/78/34/56/921783456.db2.gz YJJIOAQTHFIWLW-LBPRGKRZSA-N 2 0 287.404 -0.426 20 0 CBADRP C[C@@H](C(=O)N1CC([NH2+]C2CCOCC2)C1)[NH+](C)C ZINC001471878407 915659975 /nfs/dbraw/zinc/65/99/75/915659975.db2.gz KJLLRTZOGKZJCZ-JTQLQIEISA-N 2 0 255.362 -0.084 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001472079771 915687430 /nfs/dbraw/zinc/68/74/30/915687430.db2.gz AZMTXEINPYJCJE-STQMWFEESA-N 2 0 297.399 -0.456 20 0 CBADRP CO[C@@H](C)C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001507261757 921790030 /nfs/dbraw/zinc/79/00/30/921790030.db2.gz UTWIRKLJQWVGHL-NWDGAFQWSA-N 2 0 273.377 -0.816 20 0 CBADRP Cn1cncc1CC[N@@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001473892452 915879277 /nfs/dbraw/zinc/87/92/77/915879277.db2.gz KANPDRIEPARQIK-NWDGAFQWSA-N 2 0 253.346 -0.115 20 0 CBADRP CC[NH+]1CCC(CC[NH2+]Cc2cn(CC(N)=O)nn2)CC1 ZINC001474024158 915883966 /nfs/dbraw/zinc/88/39/66/915883966.db2.gz IYXQOCOEQXECTD-UHFFFAOYSA-N 2 0 294.403 -0.025 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)CN1C(=O)CC[NH+](C)C ZINC001507317453 921808960 /nfs/dbraw/zinc/80/89/60/921808960.db2.gz GXAAKFKMSRJAMR-WCQYABFASA-N 2 0 296.415 -0.204 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001479319553 916117160 /nfs/dbraw/zinc/11/71/60/916117160.db2.gz LVGOJQOXZYDQHH-BETUJISGSA-N 2 0 298.431 -0.099 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001479415239 916130818 /nfs/dbraw/zinc/13/08/18/916130818.db2.gz PVLJKOZFRGGQKT-MGPQQGTHSA-N 2 0 299.415 -0.426 20 0 CBADRP C[NH+](C)CCCC(=O)NCCC[N@H+](C)[C@H]1CCNC1=O ZINC001479792919 916179214 /nfs/dbraw/zinc/17/92/14/916179214.db2.gz IBOBDQBHXVTAKH-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC(C)[C@H](C(=O)NCCC[N@H+](C)CC(N)=O)[NH+](C)C ZINC001479809076 916185051 /nfs/dbraw/zinc/18/50/51/916185051.db2.gz BXLUEBMRJYNFHV-GFCCVEGCSA-N 2 0 272.393 -0.504 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001479812205 916185371 /nfs/dbraw/zinc/18/53/71/916185371.db2.gz IBTOGYJGICRBDT-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001479940950 916222769 /nfs/dbraw/zinc/22/27/69/916222769.db2.gz DMLHQWRMKSIXOI-CYBMUJFWSA-N 2 0 268.405 -0.308 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001480155856 916311251 /nfs/dbraw/zinc/31/12/51/916311251.db2.gz GCDJHZXJFQZFGC-RAIGVLPGSA-N 2 0 296.415 -0.158 20 0 CBADRP C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)[NH2+]C[C@H](C)O ZINC001480463290 916428059 /nfs/dbraw/zinc/42/80/59/916428059.db2.gz TWTOZZNQPUMYPJ-NEPJUHHUSA-N 2 0 297.403 -0.467 20 0 CBADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@H]1CCNC1=O ZINC001480478489 916430396 /nfs/dbraw/zinc/43/03/96/916430396.db2.gz ZKGIHEAWPYXIPI-JQWIXIFHSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H](O)C[NH2+][C@@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001480554298 916468400 /nfs/dbraw/zinc/46/84/00/916468400.db2.gz YGKTXQNGLRXYMW-RYUDHWBXSA-N 2 0 297.403 -0.467 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001480554296 916470281 /nfs/dbraw/zinc/47/02/81/916470281.db2.gz YGKTXQNGLRXYMW-NWDGAFQWSA-N 2 0 297.403 -0.467 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCNC1=O ZINC001480560249 916473566 /nfs/dbraw/zinc/47/35/66/916473566.db2.gz VMUGTEASHCFZBQ-OLZOCXBDSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001480597542 916486210 /nfs/dbraw/zinc/48/62/10/916486210.db2.gz QVZHWZJQPJPTJT-RYUDHWBXSA-N 2 0 284.404 -0.348 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CCN1CCNC1=O ZINC001480597551 916486449 /nfs/dbraw/zinc/48/64/49/916486449.db2.gz RFTRFMJXVHDRIB-LBPRGKRZSA-N 2 0 299.419 -0.554 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCO)C1 ZINC001480638911 916506613 /nfs/dbraw/zinc/50/66/13/916506613.db2.gz XLOKUSFEHNSMCN-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]CCO)C2)CC[N@@H+]1C ZINC001480646765 916510136 /nfs/dbraw/zinc/51/01/36/916510136.db2.gz UIDWHPWRJMFSAU-JHJVBQTASA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(N)=O ZINC001480791075 916542135 /nfs/dbraw/zinc/54/21/35/916542135.db2.gz TVFRGWKOCGXXMM-SNVBAGLBSA-N 2 0 270.377 -0.702 20 0 CBADRP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CCn1cncn1 ZINC001480880080 916598460 /nfs/dbraw/zinc/59/84/60/916598460.db2.gz VMSSCQQFRBVTJU-CYBMUJFWSA-N 2 0 294.403 -0.190 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@H](C)O ZINC001481017126 916684131 /nfs/dbraw/zinc/68/41/31/916684131.db2.gz ZIAHIQPKLXESQO-RYUDHWBXSA-N 2 0 257.378 -0.243 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@@H](C)O ZINC001481017127 916689012 /nfs/dbraw/zinc/68/90/12/916689012.db2.gz ZIAHIQPKLXESQO-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1[C@@H]1CCCNC1=O ZINC001481056542 916700461 /nfs/dbraw/zinc/70/04/61/916700461.db2.gz QYKLISBMYRJWQY-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@H+](CCO)C1 ZINC001481122435 916722681 /nfs/dbraw/zinc/72/26/81/916722681.db2.gz ANZISYKISOLRJC-ZIAGYGMSSA-N 2 0 299.415 -0.615 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001481127408 916727097 /nfs/dbraw/zinc/72/70/97/916727097.db2.gz VDRLKZMQWATGBS-NWDGAFQWSA-N 2 0 284.404 -0.362 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001481228644 916778734 /nfs/dbraw/zinc/77/87/34/916778734.db2.gz HHJZCSQUAUERHW-QWHCGFSZSA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001481243192 916785379 /nfs/dbraw/zinc/78/53/79/916785379.db2.gz IPJWWJGXNUDANJ-AWEZNQCLSA-N 2 0 298.431 -0.147 20 0 CBADRP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)C[N@H+](C)C1CCC1 ZINC001481240729 916786209 /nfs/dbraw/zinc/78/62/09/916786209.db2.gz VWAPMVGYZWMUIJ-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(CC[NH2+]CC(=O)N1CCC1)C(=O)CCC[NH+](C)C ZINC001481272860 916798830 /nfs/dbraw/zinc/79/88/30/916798830.db2.gz LGPWMKZTWXONFD-UHFFFAOYSA-N 2 0 284.404 -0.392 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001481280857 916803643 /nfs/dbraw/zinc/80/36/43/916803643.db2.gz YXCRVMDYAWYJLR-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP COC[C@@H](O)C[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001481279734 916805171 /nfs/dbraw/zinc/80/51/71/916805171.db2.gz KGASXUAAZXESPP-OLZOCXBDSA-N 2 0 287.404 -0.617 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+]CCF ZINC001481314846 916815031 /nfs/dbraw/zinc/81/50/31/916815031.db2.gz NBTOCKAIDMPMAQ-GFCCVEGCSA-N 2 0 275.368 -0.028 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]CC(=O)N1CCCC1 ZINC001481306351 916817711 /nfs/dbraw/zinc/81/77/11/916817711.db2.gz NOBHGFCYIDGWPA-UHFFFAOYSA-N 2 0 298.431 -0.001 20 0 CBADRP C[N@H+](CCO)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001481478712 916843657 /nfs/dbraw/zinc/84/36/57/916843657.db2.gz AOGSXSROFCDLAK-CHWSQXEVSA-N 2 0 269.389 -0.147 20 0 CBADRP C[N@H+](CCO)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001481478713 916843866 /nfs/dbraw/zinc/84/38/66/916843866.db2.gz AOGSXSROFCDLAK-OLZOCXBDSA-N 2 0 269.389 -0.147 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC2C[NH+](CCOCCO)C2)C1 ZINC001481655018 916929625 /nfs/dbraw/zinc/92/96/25/916929625.db2.gz OVMNBPCAADABHT-CYBMUJFWSA-N 2 0 299.415 -0.615 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1C[NH+](C[C@@H](C)O)C1 ZINC001481655709 916931974 /nfs/dbraw/zinc/93/19/74/916931974.db2.gz DOAVFVKOEQEALN-LLVKDONJSA-N 2 0 257.378 -0.243 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCn2cncn2)C1 ZINC001481709041 916957907 /nfs/dbraw/zinc/95/79/07/916957907.db2.gz WJOZXOTWTFSWQR-CYBMUJFWSA-N 2 0 294.403 -0.190 20 0 CBADRP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)NC ZINC001481868471 917010604 /nfs/dbraw/zinc/01/06/04/917010604.db2.gz FVQWJEIKQPBFEI-LLVKDONJSA-N 2 0 282.388 -0.687 20 0 CBADRP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC ZINC001481870498 917012544 /nfs/dbraw/zinc/01/25/44/917012544.db2.gz MYRLJZPCIDDRQM-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)CC ZINC001481874166 917012858 /nfs/dbraw/zinc/01/28/58/917012858.db2.gz FFLBWMOIZVXXJY-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@](C[NH2+]CC(N)=O)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001481948039 917023913 /nfs/dbraw/zinc/02/39/13/917023913.db2.gz YVPLNCXRAMXSDL-AWEZNQCLSA-N 2 0 294.399 -0.558 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001482026272 917034067 /nfs/dbraw/zinc/03/40/67/917034067.db2.gz HYLRNKSMZFKLCE-HAQNSBGRSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+][C@@H](C)C(N)=O ZINC001482117039 917058817 /nfs/dbraw/zinc/05/88/17/917058817.db2.gz LSQMSCSEEYEDNQ-RYUDHWBXSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001482155159 917066873 /nfs/dbraw/zinc/06/68/73/917066873.db2.gz CSMOBSWJULPFOK-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP Cc1nnc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001482168780 917070700 /nfs/dbraw/zinc/07/07/00/917070700.db2.gz QJZJTALFRCEANX-ZYHUDNBSSA-N 2 0 294.403 -0.093 20 0 CBADRP Cc1nnc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001482168766 917072609 /nfs/dbraw/zinc/07/26/09/917072609.db2.gz QJZJTALFRCEANX-CMPLNLGQSA-N 2 0 294.403 -0.093 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC ZINC001482173286 917075829 /nfs/dbraw/zinc/07/58/29/917075829.db2.gz IYCAPWHTIAIXBM-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC ZINC001482173287 917076165 /nfs/dbraw/zinc/07/61/65/917076165.db2.gz IYCAPWHTIAIXBM-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](C[NH2+]CCO)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001482290590 917119043 /nfs/dbraw/zinc/11/90/43/917119043.db2.gz ABFPKPOJOXQTTF-LLVKDONJSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001482326033 917127350 /nfs/dbraw/zinc/12/73/50/917127350.db2.gz OTYNTCQTCGHHPJ-LBPRGKRZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001482479753 917151718 /nfs/dbraw/zinc/15/17/18/917151718.db2.gz DJYAYJOINPAMSB-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@H](C)C(N)=O ZINC001482551938 917158840 /nfs/dbraw/zinc/15/88/40/917158840.db2.gz ZOQHLXWNDJFGIS-DGCLKSJQSA-N 2 0 298.431 -0.068 20 0 CBADRP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)C(N)=O ZINC001482554274 917159329 /nfs/dbraw/zinc/15/93/29/917159329.db2.gz KDMJYPTUOSWHMS-GHMZBOCLSA-N 2 0 272.393 -0.458 20 0 CBADRP CC(C)[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482730354 917238139 /nfs/dbraw/zinc/23/81/39/917238139.db2.gz XMFWNYFMNWFLQO-CHWSQXEVSA-N 2 0 269.389 -0.197 20 0 CBADRP CC(C)[NH2+]C[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482730357 917238773 /nfs/dbraw/zinc/23/87/73/917238773.db2.gz XMFWNYFMNWFLQO-STQMWFEESA-N 2 0 269.389 -0.197 20 0 CBADRP CC[C@H](C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)OC ZINC001482786267 917282481 /nfs/dbraw/zinc/28/24/81/917282481.db2.gz SSGUXMRVJYYAOY-QWHCGFSZSA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@H](CC[NH2+]CC(N)=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482831925 917306908 /nfs/dbraw/zinc/30/69/08/917306908.db2.gz CFDYGNWQTGVEQS-ZYHUDNBSSA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001482840644 917308584 /nfs/dbraw/zinc/30/85/84/917308584.db2.gz YCOUDFUPFQXOJX-RYUDHWBXSA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001482844361 917309499 /nfs/dbraw/zinc/30/94/99/917309499.db2.gz LRHCNAMAERPKTC-YPMHNXCESA-N 2 0 286.420 -0.197 20 0 CBADRP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001482844360 917310813 /nfs/dbraw/zinc/31/08/13/917310813.db2.gz LRHCNAMAERPKTC-AAEUAGOBSA-N 2 0 286.420 -0.197 20 0 CBADRP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482860673 917314910 /nfs/dbraw/zinc/31/49/10/917314910.db2.gz KENRTZQXVYTCQW-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@H](CC[NH2+]CC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482899302 917324169 /nfs/dbraw/zinc/32/41/69/917324169.db2.gz NRYFNCKPNZJYHY-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001483013368 917375244 /nfs/dbraw/zinc/37/52/44/917375244.db2.gz ZIVWTZXRGBEWOF-ZFDPJTLLSA-N 2 0 296.415 -0.133 20 0 CBADRP COC[C@@H](O)C[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001483054662 917390032 /nfs/dbraw/zinc/39/00/32/917390032.db2.gz QCZITKZQLXWMIS-XGACYXMMSA-N 2 0 299.415 -0.403 20 0 CBADRP COC[C@@H](O)C[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001483054660 917392022 /nfs/dbraw/zinc/39/20/22/917392022.db2.gz QCZITKZQLXWMIS-NQHOJNORSA-N 2 0 299.415 -0.403 20 0 CBADRP C[C@H]([NH2+]C/C=C\CNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001483053196 917392544 /nfs/dbraw/zinc/39/25/44/917392544.db2.gz CFFYOOFTXQTMAF-DGMVEKRQSA-N 2 0 284.404 -0.323 20 0 CBADRP C[C@H]([NH2+]C/C=C/CNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001483053200 917393069 /nfs/dbraw/zinc/39/30/69/917393069.db2.gz CFFYOOFTXQTMAF-SYTKJHMZSA-N 2 0 284.404 -0.323 20 0 CBADRP Cn1nncc1C[NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001483093722 917405584 /nfs/dbraw/zinc/40/55/84/917405584.db2.gz TWQDMXMEZBWDNK-NSCUHMNNSA-N 2 0 292.387 -0.327 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC ZINC001483099338 917409071 /nfs/dbraw/zinc/40/90/71/917409071.db2.gz XLTMHGDLHQXDIS-URWSZGRFSA-N 2 0 296.415 -0.131 20 0 CBADRP C[C@H](C[NH2+]CCn1cncn1)NC(=O)C1([NH+](C)C)CCC1 ZINC001483135945 917430365 /nfs/dbraw/zinc/43/03/65/917430365.db2.gz XDXQMXGCCQDBBV-GFCCVEGCSA-N 2 0 294.403 -0.143 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001483141491 917435493 /nfs/dbraw/zinc/43/54/93/917435493.db2.gz UOTOZXMWODGOPE-DGCLKSJQSA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001483162537 917444732 /nfs/dbraw/zinc/44/47/32/917444732.db2.gz HLVKLACAQGGRES-ZJUUUORDSA-N 2 0 258.366 -0.833 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001483162489 917445641 /nfs/dbraw/zinc/44/56/41/917445641.db2.gz FVHKZRULMZYGRS-ZJUUUORDSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NC(C)(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483192980 917458428 /nfs/dbraw/zinc/45/84/28/917458428.db2.gz MYGPNTARRQFAIK-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483184584 917459004 /nfs/dbraw/zinc/45/90/04/917459004.db2.gz RDOZKUVWJKGJKG-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001483235175 917487675 /nfs/dbraw/zinc/48/76/75/917487675.db2.gz DFUUVUPKVOOSCD-VIFPVBQESA-N 2 0 256.350 -0.950 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483285007 917503333 /nfs/dbraw/zinc/50/33/33/917503333.db2.gz XUEXBLWQYSTPLZ-WDEREUQCSA-N 2 0 282.388 -0.689 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CCc1cncn1C ZINC001483288695 917508865 /nfs/dbraw/zinc/50/88/65/917508865.db2.gz FSSVVSWLDYJDFC-NSHDSACASA-N 2 0 295.387 -0.417 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483293606 917510023 /nfs/dbraw/zinc/51/00/23/917510023.db2.gz HVXPBSLKSVYJOT-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@H]1CCN(C)C1=O ZINC001483405592 917556118 /nfs/dbraw/zinc/55/61/18/917556118.db2.gz ZAWPPPQTAAEKQN-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](C[N@H+](C)CCO)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001483421002 917556636 /nfs/dbraw/zinc/55/66/36/917556636.db2.gz ORXIWZWMZLVNLB-CHWSQXEVSA-N 2 0 287.404 -0.617 20 0 CBADRP C[C@H](C[N@H+](C)[C@@H]1CCN(C)C1=O)NC(=O)C[NH+]1CCCC1 ZINC001483422000 917557404 /nfs/dbraw/zinc/55/74/04/917557404.db2.gz SHTSHNGUQQISDP-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001483722474 917656017 /nfs/dbraw/zinc/65/60/17/917656017.db2.gz XVRXLHLBSHYGIJ-MNOVXSKESA-N 2 0 280.372 -0.793 20 0 CBADRP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001483790369 917680049 /nfs/dbraw/zinc/68/00/49/917680049.db2.gz GQKICHRFGAWVJF-GHMZBOCLSA-N 2 0 255.362 -0.443 20 0 CBADRP C[NH+]1CCC(CC(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)CC1 ZINC001483946782 917711400 /nfs/dbraw/zinc/71/14/00/917711400.db2.gz SQGMLDQTCXRKKY-CYBMUJFWSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CC)C1)[NH+](C)C ZINC001484238882 917786896 /nfs/dbraw/zinc/78/68/96/917786896.db2.gz ZNSDAURTEIOIOF-WCQYABFASA-N 2 0 257.378 -0.101 20 0 CBADRP CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001484478479 917864333 /nfs/dbraw/zinc/86/43/33/917864333.db2.gz QOZBEACTTKSVNS-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP O=C([C@@H]1CCC[C@H]2CCC[N@@H+]21)N(CCO)CC[NH2+]CCO ZINC001484495977 917878482 /nfs/dbraw/zinc/87/84/82/917878482.db2.gz IRZXWQDVKVGOSC-KBPBESRZSA-N 2 0 299.415 -0.594 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](CC[NH2+]CCO)C2)C1 ZINC001484549492 917887378 /nfs/dbraw/zinc/88/73/78/917887378.db2.gz JDEOTEMDWJWHRB-OLZOCXBDSA-N 2 0 269.389 -0.241 20 0 CBADRP O=C(NCC1([NH2+]CCO)CCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001484634515 917903570 /nfs/dbraw/zinc/90/35/70/917903570.db2.gz OFFHFTRURXAJGL-ZDUSSCGKSA-N 2 0 281.400 -0.051 20 0 CBADRP CNC(=O)C[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001484920918 917965132 /nfs/dbraw/zinc/96/51/32/917965132.db2.gz LXOBNFSMRKSYRV-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP C[NH+](C)C1(C(=O)N2CCC(O)(C[NH2+]CCO)CC2)CCC1 ZINC001484954160 917970025 /nfs/dbraw/zinc/97/00/25/917970025.db2.gz HVUASEAZAUDONG-UHFFFAOYSA-N 2 0 299.415 -0.594 20 0 CBADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)CCO ZINC001485343594 918078007 /nfs/dbraw/zinc/07/80/07/918078007.db2.gz HMINFGZVTQOZMP-NSHDSACASA-N 2 0 257.378 -0.243 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@H]1CCNC1=O ZINC001485371445 918100793 /nfs/dbraw/zinc/10/07/93/918100793.db2.gz WRETUROFYQNQTN-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CCCC[C@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485471137 918125302 /nfs/dbraw/zinc/12/53/02/918125302.db2.gz CZGSUEWIELLTHY-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP CCCC[C@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485471141 918127263 /nfs/dbraw/zinc/12/72/63/918127263.db2.gz CZGSUEWIELLTHY-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](CCC[NH2+]CC(N)=O)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001485745027 918183470 /nfs/dbraw/zinc/18/34/70/918183470.db2.gz PNBOQUBXOCZMES-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001485855548 918209119 /nfs/dbraw/zinc/20/91/19/918209119.db2.gz LVOBEORUKSHDPZ-AAEUAGOBSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H](C)C(N)=O ZINC001485919702 918228430 /nfs/dbraw/zinc/22/84/30/918228430.db2.gz OAUDDVGVBHKQDQ-UWVGGRQHSA-N 2 0 258.366 -0.752 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001485960359 918241629 /nfs/dbraw/zinc/24/16/29/918241629.db2.gz FHQSBOURCFOVTJ-GFCCVEGCSA-N 2 0 286.420 -0.149 20 0 CBADRP COCC[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001486053287 918346134 /nfs/dbraw/zinc/34/61/34/918346134.db2.gz XUURCQGFTDLOKY-RYUDHWBXSA-N 2 0 273.377 -0.959 20 0 CBADRP CN(C[C@H](O)C[NH2+]C[C@H]1CCOC1)C(=O)CC[NH+](C)C ZINC001486298454 918415057 /nfs/dbraw/zinc/41/50/57/918415057.db2.gz PKHCRZKSEJGCAG-CHWSQXEVSA-N 2 0 287.404 -0.617 20 0 CBADRP C[C@@H](C(N)=O)N1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651642 918745574 /nfs/dbraw/zinc/74/55/74/918745574.db2.gz ARVATMCFFXAGQW-WDEREUQCSA-N 2 0 270.377 -0.655 20 0 CBADRP CN(C[C@H]1CC[N@@H+]1CCCO)C(=O)CC[NH+](C)C ZINC001488654509 918752200 /nfs/dbraw/zinc/75/22/00/918752200.db2.gz NYIZWVAWFKDDEY-GFCCVEGCSA-N 2 0 257.378 -0.147 20 0 CBADRP C[C@@H]([NH2+][C@@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1)C(N)=O ZINC001488857946 918774174 /nfs/dbraw/zinc/77/41/74/918774174.db2.gz GKVNFDSWIVJUQP-FDYHWXHSSA-N 2 0 296.415 -0.314 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001488871753 918775341 /nfs/dbraw/zinc/77/53/41/918775341.db2.gz FDIIRQDUWSZPSR-AVGNSLFASA-N 2 0 298.431 -0.053 20 0 CBADRP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC001490164789 918855065 /nfs/dbraw/zinc/85/50/65/918855065.db2.gz NSNGCHDKYFWELX-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP C[N@H+](CCO)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001490196310 918863629 /nfs/dbraw/zinc/86/36/29/918863629.db2.gz NMMJTUAZDNWTTC-ZDUSSCGKSA-N 2 0 269.389 -0.241 20 0 CBADRP CCCNC(=O)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001490280237 918885853 /nfs/dbraw/zinc/88/58/53/918885853.db2.gz VVUZNZYFTAXEAY-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001490270478 918886485 /nfs/dbraw/zinc/88/64/85/918886485.db2.gz PVTZNALHPAQCEJ-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001490271765 918886727 /nfs/dbraw/zinc/88/67/27/918886727.db2.gz OGKVYXBVQLNHAO-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(N)=O ZINC001490329850 918892085 /nfs/dbraw/zinc/89/20/85/918892085.db2.gz YLZVNMGVGFIYMM-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP NC(=O)C[NH2+][C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001490663997 918955152 /nfs/dbraw/zinc/95/51/52/918955152.db2.gz BVXYPHIUFHUOQO-QWHCGFSZSA-N 2 0 294.399 -0.702 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H]([NH2+]CCO)C1CC1)[NH+](C)C ZINC001490713706 918963632 /nfs/dbraw/zinc/96/36/32/918963632.db2.gz OLAHLUIYNVKVBO-NEPJUHHUSA-N 2 0 257.378 -0.197 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001490876184 918984572 /nfs/dbraw/zinc/98/45/72/918984572.db2.gz DKLIOBWOADPCSV-BJDJZHNGSA-N 2 0 282.388 -0.548 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]CCCO)C1 ZINC001490921207 918991510 /nfs/dbraw/zinc/99/15/10/918991510.db2.gz CDWQEPWTGAOGGA-HAQNSBGRSA-N 2 0 257.378 -0.053 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001491029492 919012168 /nfs/dbraw/zinc/01/21/68/919012168.db2.gz CFITZYRGJAGQBV-XQQFMLRXSA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCNC(=O)C[NH+]1CCCC1 ZINC001491320224 919112405 /nfs/dbraw/zinc/11/24/05/919112405.db2.gz WRZCYYDPKDNMHG-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001491318614 919114462 /nfs/dbraw/zinc/11/44/62/919114462.db2.gz UEVBSODVGHWLTB-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@@H](C(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC001491335584 919116660 /nfs/dbraw/zinc/11/66/60/919116660.db2.gz NFNMJRZEKXMPNY-UPJWGTAASA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCNC(=O)C1CC1 ZINC001491415867 919148367 /nfs/dbraw/zinc/14/83/67/919148367.db2.gz UWNZWCNDDJURHM-WCQYABFASA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCO ZINC001491455453 919170103 /nfs/dbraw/zinc/17/01/03/919170103.db2.gz RFMWAFYJIMSUIB-RYUDHWBXSA-N 2 0 257.378 -0.054 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001491502894 919185246 /nfs/dbraw/zinc/18/52/46/919185246.db2.gz CDJHTKOSOSIVEL-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@H]1CCNC1=O ZINC001491514158 919188134 /nfs/dbraw/zinc/18/81/34/919188134.db2.gz ZTTZTRIAHKSRAX-NEPJUHHUSA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001491671652 919247636 /nfs/dbraw/zinc/24/76/36/919247636.db2.gz BMZHEBQQDDTNPF-QWRGUYRKSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCCC1 ZINC001491672790 919249930 /nfs/dbraw/zinc/24/99/30/919249930.db2.gz JCKDACJDAOHRQJ-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001491672253 919250324 /nfs/dbraw/zinc/25/03/24/919250324.db2.gz GBMWBZPRAPKVQT-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cncn1C ZINC001491674239 919250641 /nfs/dbraw/zinc/25/06/41/919250641.db2.gz SXJCKFGGEMWUNS-NEPJUHHUSA-N 2 0 279.388 -0.034 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N1CCCC1 ZINC001491673407 919251233 /nfs/dbraw/zinc/25/12/33/919251233.db2.gz IEGNPVPUIMKASQ-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCCNC1=O ZINC001491684562 919251817 /nfs/dbraw/zinc/25/18/17/919251817.db2.gz WOCUVFKYZPVXLV-NEPJUHHUSA-N 2 0 284.404 -0.301 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+]CCCO)C2)CC1 ZINC001491748385 919270150 /nfs/dbraw/zinc/27/01/50/919270150.db2.gz QJEGMQJVTVWWPL-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001491849112 919292053 /nfs/dbraw/zinc/29/20/53/919292053.db2.gz DKRSMINBQSECIW-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP C[N@H+](CCCO)CCNC(=O)[C@@H]1CCn2cncc2C1 ZINC001492309456 919387979 /nfs/dbraw/zinc/38/79/79/919387979.db2.gz TWUGAMLEHUUUID-GFCCVEGCSA-N 2 0 280.372 -0.124 20 0 CBADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001493133495 919483393 /nfs/dbraw/zinc/48/33/93/919483393.db2.gz RXNWOAKFIGAHET-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1CC(N)=O ZINC001493151167 919484092 /nfs/dbraw/zinc/48/40/92/919484092.db2.gz ZKBAGLNCQRQUTD-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001493133492 919484313 /nfs/dbraw/zinc/48/43/13/919484313.db2.gz RXNWOAKFIGAHET-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001493260772 919513220 /nfs/dbraw/zinc/51/32/20/919513220.db2.gz UHZWUDMNSGDWHY-GFCCVEGCSA-N 2 0 282.388 -0.734 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001493256315 919514366 /nfs/dbraw/zinc/51/43/66/919514366.db2.gz KEUAFVYWMMNABW-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001493258714 919515540 /nfs/dbraw/zinc/51/55/40/919515540.db2.gz GQDOSUKJRMGTQJ-STQMWFEESA-N 2 0 294.399 -0.591 20 0 CBADRP O=C(NCC[N@@H+](CCO)C1CC1)C12CC[NH+](CC1)C2 ZINC001493435814 919547480 /nfs/dbraw/zinc/54/74/80/919547480.db2.gz MPHQJYPYGCLZBI-UHFFFAOYSA-N 2 0 267.373 -0.345 20 0 CBADRP CC[C@H]([NH2+]CCN(C)C(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001493578333 919585051 /nfs/dbraw/zinc/58/50/51/919585051.db2.gz IHNCASGZFPLXCZ-LBPRGKRZSA-N 2 0 284.404 -0.217 20 0 CBADRP CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001493699601 919606825 /nfs/dbraw/zinc/60/68/25/919606825.db2.gz MTFICQGPNJOALQ-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP CN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001493725843 919611116 /nfs/dbraw/zinc/61/11/16/919611116.db2.gz NSKCITFRCUMIJB-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001493762112 919615375 /nfs/dbraw/zinc/61/53/75/919615375.db2.gz QAUYOPVAFSRHIB-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP COC[C@@H](O)C[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001493763332 919618423 /nfs/dbraw/zinc/61/84/23/919618423.db2.gz KUJUVOHCFCVYHF-LBPRGKRZSA-N 2 0 285.388 -0.863 20 0 CBADRP CN(CC[NH2+]CCN1CCCC1=O)C(=O)C[NH+]1CCCC1 ZINC001493793905 919619949 /nfs/dbraw/zinc/61/99/49/919619949.db2.gz OOHRQAZMCUCNJZ-UHFFFAOYSA-N 2 0 296.415 -0.247 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001493769782 919621489 /nfs/dbraw/zinc/62/14/89/919621489.db2.gz RNBPXBQSXLKHRC-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@@H](C)C(N)=O)C1 ZINC001494170575 919665509 /nfs/dbraw/zinc/66/55/09/919665509.db2.gz DHELAZUIGQZYGK-QWHCGFSZSA-N 2 0 298.431 -0.018 20 0 CBADRP C[N@H+](CCO)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001494181999 919665951 /nfs/dbraw/zinc/66/59/51/919665951.db2.gz VMHRJFZUYWCSKH-OLZOCXBDSA-N 2 0 269.389 -0.289 20 0 CBADRP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCO ZINC001494995511 919836257 /nfs/dbraw/zinc/83/62/57/919836257.db2.gz VKNCWBKKRLHHNG-LLVKDONJSA-N 2 0 257.378 -0.053 20 0 CBADRP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCO ZINC001495037039 919850011 /nfs/dbraw/zinc/85/00/11/919850011.db2.gz KZAXCZMUBXAEOI-NEPJUHHUSA-N 2 0 257.378 -0.053 20 0 CBADRP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(N)=O ZINC001495049733 919853004 /nfs/dbraw/zinc/85/30/04/919853004.db2.gz LOVBGUVZVVUBDW-LLVKDONJSA-N 2 0 270.377 -0.702 20 0 CBADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCCNC1=O ZINC001495110797 919865751 /nfs/dbraw/zinc/86/57/51/919865751.db2.gz YPLYLTDNYUBUGQ-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH+]1CCC(C(=O)NC2(C[NH2+]CC(N)=O)CCCC2)CC1 ZINC001495187505 919875229 /nfs/dbraw/zinc/87/52/29/919875229.db2.gz RDFABWCVZZGVEH-UHFFFAOYSA-N 2 0 296.415 -0.168 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001495783604 919941520 /nfs/dbraw/zinc/94/15/20/919941520.db2.gz BHHSRTOGWOHFDU-NEPJUHHUSA-N 2 0 296.415 -0.441 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001495817515 919952406 /nfs/dbraw/zinc/95/24/06/919952406.db2.gz ZPOUTEYBKXESCT-GFCCVEGCSA-N 2 0 296.419 -0.003 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001495813583 919953626 /nfs/dbraw/zinc/95/36/26/919953626.db2.gz NLVZTAABGNWHCW-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001496150276 920033243 /nfs/dbraw/zinc/03/32/43/920033243.db2.gz PPNJFLZMSNLSAK-AAEUAGOBSA-N 2 0 296.415 -0.347 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496230430 920045667 /nfs/dbraw/zinc/04/56/67/920045667.db2.gz WLJQZFHJRKZSSH-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP CN(CCNC(=O)CC[NH+](C)C)C(=O)C1(C[NH+](C)C)CC1 ZINC001496511352 920080091 /nfs/dbraw/zinc/08/00/91/920080091.db2.gz HFXHUPABDCKISH-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC(N)=O ZINC001496599590 920092826 /nfs/dbraw/zinc/09/28/26/920092826.db2.gz RTMMPKCKYKYXRL-RWMBFGLXSA-N 2 0 298.431 -0.068 20 0 CBADRP CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001496987103 920195211 /nfs/dbraw/zinc/19/52/11/920195211.db2.gz WQYMTHDGPZPDAK-NWDGAFQWSA-N 2 0 255.362 -0.585 20 0 CBADRP CC(C)C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001497092654 920247175 /nfs/dbraw/zinc/24/71/75/920247175.db2.gz TXONNXMMSKCZNW-LBPRGKRZSA-N 2 0 269.389 -0.195 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]Cc1ccns1 ZINC001497111499 920247992 /nfs/dbraw/zinc/24/79/92/920247992.db2.gz QSRHZHJZZJSWME-LLVKDONJSA-N 2 0 298.412 -0.194 20 0 CBADRP CCN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001497362765 920293279 /nfs/dbraw/zinc/29/32/79/920293279.db2.gz UEWPZWMBGNRGSW-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001497363045 920295172 /nfs/dbraw/zinc/29/51/72/920295172.db2.gz YEGDGKMSKMLYIT-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CCN(CC[NH2+]CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497384084 920298711 /nfs/dbraw/zinc/29/87/11/920298711.db2.gz SBWXQZIVANYTCW-ZDUSSCGKSA-N 2 0 269.389 -0.241 20 0 CBADRP C[C@H](O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497587009 920350358 /nfs/dbraw/zinc/35/03/58/920350358.db2.gz ZQVWYRUBUKHWRN-YVAWVJMJSA-N 2 0 269.389 -0.031 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001497600667 920351074 /nfs/dbraw/zinc/35/10/74/920351074.db2.gz GVIPRERZVCGRSQ-NAISLTENSA-N 2 0 298.431 -0.031 20 0 CBADRP C[C@@H](O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001497650079 920360039 /nfs/dbraw/zinc/36/00/39/920360039.db2.gz NNPWIWQCXZOUFU-OPVGQWETSA-N 2 0 255.362 -0.277 20 0 CBADRP CN1CC[C@@H]([NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001497651285 920362154 /nfs/dbraw/zinc/36/21/54/920362154.db2.gz WAWPHQPNJLREKR-CDJBXZAQSA-N 2 0 294.399 -0.427 20 0 CBADRP CNC(=O)C[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001497675006 920368637 /nfs/dbraw/zinc/36/86/37/920368637.db2.gz MNMPTJLQBZISKI-ARJAWSKDSA-N 2 0 282.388 -0.664 20 0 CBADRP C[NH+]1CCC(CC(=O)NC/C=C/C[NH2+]CC(N)=O)CC1 ZINC001497690539 920371403 /nfs/dbraw/zinc/37/14/03/920371403.db2.gz GWINSNVUGJOIHS-NSCUHMNNSA-N 2 0 282.388 -0.534 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCCNC1=O)[NH+](C)C ZINC001497836272 920407443 /nfs/dbraw/zinc/40/74/43/920407443.db2.gz UXEJTPPDGXPVLF-GRYCIOLGSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)CCC[NH+](C)C ZINC001497895297 920418800 /nfs/dbraw/zinc/41/88/00/920418800.db2.gz OFJHNOCPPXPGDE-GHMZBOCLSA-N 2 0 298.387 -0.772 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001497955056 920430285 /nfs/dbraw/zinc/43/02/85/920430285.db2.gz QNRYOVHTRZMCBO-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001497992948 920432969 /nfs/dbraw/zinc/43/29/69/920432969.db2.gz JZESWQRLFZXWAK-MNOVXSKESA-N 2 0 298.387 -0.774 20 0 CBADRP C[C@H](CNCc1cnon1)NC(=O)C[NH+]1CCCC1 ZINC001497983692 920433963 /nfs/dbraw/zinc/43/39/63/920433963.db2.gz IITQTDBTXNKNTM-SNVBAGLBSA-N 2 0 267.333 -0.240 20 0 CBADRP C[C@H](C[NH2+]CCn1cncn1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497983722 920435464 /nfs/dbraw/zinc/43/54/64/920435464.db2.gz KAENJGRGVYFAMV-NEPJUHHUSA-N 2 0 280.376 -0.676 20 0 CBADRP CCOCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CN(CC)CCO1 ZINC001497990551 920435508 /nfs/dbraw/zinc/43/55/08/920435508.db2.gz HDDSJZPRVLHPFG-OLZOCXBDSA-N 2 0 287.404 -0.162 20 0 CBADRP C[C@@H](C[NH2+]CCO)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001498042800 920460585 /nfs/dbraw/zinc/46/05/85/920460585.db2.gz BARYHJOBVFBLJD-CMPLNLGQSA-N 2 0 255.362 -0.585 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CCn1cncn1)[NH+](C)C ZINC001498061422 920468054 /nfs/dbraw/zinc/46/80/54/920468054.db2.gz YOFWWMXCEXODDG-NWDGAFQWSA-N 2 0 282.392 -0.287 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001498161125 920507502 /nfs/dbraw/zinc/50/75/02/920507502.db2.gz RYRICKGOYRSYJX-WDEREUQCSA-N 2 0 280.372 -0.935 20 0 CBADRP C[C@@H]([NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001498568825 920609547 /nfs/dbraw/zinc/60/95/47/920609547.db2.gz AABAUUGVKQVUOE-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](O)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001498860615 920648719 /nfs/dbraw/zinc/64/87/19/920648719.db2.gz ALSWABZBUUSVJR-WCQYABFASA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001498860612 920649733 /nfs/dbraw/zinc/64/97/33/920649733.db2.gz ALSWABZBUUSVJR-DGCLKSJQSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001499230853 920723601 /nfs/dbraw/zinc/72/36/01/920723601.db2.gz KQMYXUFUJXQWLQ-IJLUTSLNSA-N 2 0 269.389 -0.054 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001499264094 920728458 /nfs/dbraw/zinc/72/84/58/920728458.db2.gz RTRGMKVFQRIFTA-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]C[C@@H](C)O)CC1 ZINC001499427426 920748147 /nfs/dbraw/zinc/74/81/47/920748147.db2.gz ZWLUXZKXPGHDSJ-LLVKDONJSA-N 2 0 257.378 -0.053 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001499461076 920753239 /nfs/dbraw/zinc/75/32/39/920753239.db2.gz CSZYRZRGJODFNE-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001499843151 920774552 /nfs/dbraw/zinc/77/45/52/920774552.db2.gz FQEMMTJDTIKAAC-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001500259051 920821294 /nfs/dbraw/zinc/82/12/94/920821294.db2.gz ZMZGJQPUVJFCCJ-IUODEOHRSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CCCO)CCOCC2)C1 ZINC001500600633 920840771 /nfs/dbraw/zinc/84/07/71/920840771.db2.gz KTLXUERNBWWFQC-ZDUSSCGKSA-N 2 0 299.415 -0.425 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@]1(O)CC[NH+](CCCO)C1 ZINC001500746480 920871998 /nfs/dbraw/zinc/87/19/98/920871998.db2.gz HQWJALBBRCEZKZ-CQSZACIVSA-N 2 0 287.404 -0.736 20 0 CBADRP O=C(NC[C@]1(O)CC[N@@H+](CCCO)C1)C12CC[NH+](CC1)C2 ZINC001500750314 920879475 /nfs/dbraw/zinc/87/94/75/920879475.db2.gz BFEHUNXJWGIGDA-OAHLLOKOSA-N 2 0 297.399 -0.982 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001501088244 920946198 /nfs/dbraw/zinc/94/61/98/920946198.db2.gz YAFBSRPPGVEHRR-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1 ZINC001501240762 920956795 /nfs/dbraw/zinc/95/67/95/920956795.db2.gz URFDHHAYNVNSSY-BETUJISGSA-N 2 0 296.415 -0.406 20 0 CBADRP CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001501927894 921073436 /nfs/dbraw/zinc/07/34/36/921073436.db2.gz FWZZNZXTRBFZDF-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)C[C@H]1C ZINC001507337347 921813142 /nfs/dbraw/zinc/81/31/42/921813142.db2.gz CTKYHPNYWANLCP-OLZOCXBDSA-N 2 0 298.431 -0.006 20 0 CBADRP C[C@@H]([NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)C(N)=O ZINC001507442940 921823706 /nfs/dbraw/zinc/82/37/06/921823706.db2.gz KXAIXGHEKMSDJA-MNOVXSKESA-N 2 0 284.404 -0.362 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001508028370 921904680 /nfs/dbraw/zinc/90/46/80/921904680.db2.gz BJYZNJBTYSWEBN-LLVKDONJSA-N 2 0 286.420 -0.066 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H](C[NH2+][C@H]1CCNC1=O)C(C)(C)C ZINC001508016215 921905830 /nfs/dbraw/zinc/90/58/30/921905830.db2.gz OJZWYLDMHFYPOO-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP COCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C[C@@H](C)O ZINC001508055864 921910234 /nfs/dbraw/zinc/91/02/34/921910234.db2.gz NHTKEWYUAICRSE-CYBMUJFWSA-N 2 0 299.415 -0.472 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)[C@H]([NH3+])CO)C[C@H]2C1 ZINC001514681345 922211248 /nfs/dbraw/zinc/21/12/48/922211248.db2.gz OGDDVQWDGWQLCI-IRCOFANPSA-N 2 0 255.362 -0.505 20 0 CBADRP C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001514838209 922222032 /nfs/dbraw/zinc/22/20/32/922222032.db2.gz HWXSZYYCIYKNKY-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N(C)CC1CC[NH2+]CC1 ZINC001515496111 922234666 /nfs/dbraw/zinc/23/46/66/922234666.db2.gz HOFLOTMUTPOFPY-ZYHUDNBSSA-N 2 0 257.378 -0.339 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001515514882 922234781 /nfs/dbraw/zinc/23/47/81/922234781.db2.gz NPZBJCUVEFPVGT-BNDIWNMDSA-N 2 0 264.373 -0.949 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001515670707 922241130 /nfs/dbraw/zinc/24/11/30/922241130.db2.gz VBEXFSTWPDQMFJ-WOPDTQHZSA-N 2 0 257.378 -0.291 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C)C[NH+](C)C ZINC001520191657 922301718 /nfs/dbraw/zinc/30/17/18/922301718.db2.gz NMRKBDJNNXAMRH-UPJWGTAASA-N 2 0 268.405 -0.311 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC12CC[NH+](CC1)C2 ZINC001520374334 922308941 /nfs/dbraw/zinc/30/89/41/922308941.db2.gz TULNLCYHXURNQA-RYUDHWBXSA-N 2 0 264.373 -0.661 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCC[NH+](C)C ZINC001520729530 922317492 /nfs/dbraw/zinc/31/74/92/922317492.db2.gz SEEZPULOUWBGOU-NEPJUHHUSA-N 2 0 254.378 -0.557 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCC[NH+](C)C ZINC001520729532 922318162 /nfs/dbraw/zinc/31/81/62/922318162.db2.gz SEEZPULOUWBGOU-RYUDHWBXSA-N 2 0 254.378 -0.557 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001521152262 922335556 /nfs/dbraw/zinc/33/55/56/922335556.db2.gz SDMSBXIBQHSNKF-NSHDSACASA-N 2 0 282.388 -0.689 20 0 CBADRP O=C(C[NH+]1CCC(CO)CC1)NCC[C@H]1CC[NH2+]C1 ZINC001521152384 922336428 /nfs/dbraw/zinc/33/64/28/922336428.db2.gz UUGQKSIUYGQLQB-GFCCVEGCSA-N 2 0 269.389 -0.194 20 0 CBADRP C[C@@]1(C(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H](O)C[NH2+]1 ZINC001521424811 922352529 /nfs/dbraw/zinc/35/25/29/922352529.db2.gz KPVRLXCXXNIIBB-OCCSQVGLSA-N 2 0 267.373 -0.158 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001521445271 922356133 /nfs/dbraw/zinc/35/61/33/922356133.db2.gz GLNMQYUOHQIIFR-CYDGBPFRSA-N 2 0 269.389 -0.054 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001521454204 922356599 /nfs/dbraw/zinc/35/65/99/922356599.db2.gz FYFUGWUNAVLGGO-GVXVVHGQSA-N 2 0 257.378 -0.054 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H](O)C[NH2+]1 ZINC001521438169 922357485 /nfs/dbraw/zinc/35/74/85/922357485.db2.gz BPWDAJHVSUJABR-GFQSEFKGSA-N 2 0 267.373 -0.158 20 0 CBADRP COCC[N@H+](C)CCNC(=O)C1=CCC[NH2+]CC1 ZINC001521470627 922357992 /nfs/dbraw/zinc/35/79/92/922357992.db2.gz SKECTJKQSKDEJE-UHFFFAOYSA-N 2 0 255.362 -0.009 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001521495797 922361364 /nfs/dbraw/zinc/36/13/64/922361364.db2.gz LGEXKXQHKQMIPC-CHWSQXEVSA-N 2 0 296.415 -0.358 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001521494920 922362658 /nfs/dbraw/zinc/36/26/58/922362658.db2.gz AFOGOSMWVIRYET-AGIUHOORSA-N 2 0 267.373 -0.238 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001521513420 922364837 /nfs/dbraw/zinc/36/48/37/922364837.db2.gz VKGMCJIJHGEPON-WCQYABFASA-N 2 0 252.362 -0.898 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC001521533670 922365331 /nfs/dbraw/zinc/36/53/31/922365331.db2.gz LGKYMWBAQZFKLJ-YRGRVCCFSA-N 2 0 266.389 -0.428 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@]2(O)CCC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC001521513925 922366688 /nfs/dbraw/zinc/36/66/88/922366688.db2.gz ZSMJPMDCAYCQRP-NQBHXWOUSA-N 2 0 255.362 -0.300 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001521566572 922370170 /nfs/dbraw/zinc/37/01/70/922370170.db2.gz ODOQBQRSXKJEPG-AGIUHOORSA-N 2 0 269.389 -0.122 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001521713467 922377947 /nfs/dbraw/zinc/37/79/47/922377947.db2.gz XZXPMHCDMQGOHF-MNOVXSKESA-N 2 0 255.362 -0.184 20 0 CBADRP C[C@H]([NH3+])CONC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC001521806879 922380980 /nfs/dbraw/zinc/38/09/80/922380980.db2.gz MHTVYXFGDRITJD-GXSJLCMTSA-N 2 0 267.333 -0.184 20 0 CBADRP C[C@H]([NH3+])CONC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001521806888 922381240 /nfs/dbraw/zinc/38/12/40/922381240.db2.gz MMADZRRKWAOSPI-IUCAKERBSA-N 2 0 268.321 -0.789 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCN1C[C@@H]2C ZINC001521899198 922385942 /nfs/dbraw/zinc/38/59/42/922385942.db2.gz UBDKJJJIAREGDI-YNEHKIRRSA-N 2 0 266.389 -0.415 20 0 CBADRP O=C(NCC1(O)C[NH2+]C1)c1cccc2c1CC[NH2+]C2 ZINC001521919814 922389208 /nfs/dbraw/zinc/38/92/08/922389208.db2.gz XWFVWPQPPNRWAB-UHFFFAOYSA-N 2 0 261.325 -0.604 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC001521971089 922395327 /nfs/dbraw/zinc/39/53/27/922395327.db2.gz CQALIUJOZPFINV-LPEHRKFASA-N 2 0 257.309 -0.819 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)C1CC[NH+](C2CC2)CC1 ZINC001522086114 922397410 /nfs/dbraw/zinc/39/74/10/922397410.db2.gz ZYYUSMYOXNXJIJ-NWDGAFQWSA-N 2 0 253.346 -0.690 20 0 CBADRP CC[NH+](CC)CCSCC(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001522084453 922398359 /nfs/dbraw/zinc/39/83/59/922398359.db2.gz PZOXGMLCSIKCGT-MNOVXSKESA-N 2 0 275.418 -0.490 20 0 CBADRP [NH3+]C1(CNC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CCOCC1 ZINC001522169894 922399848 /nfs/dbraw/zinc/39/98/48/922399848.db2.gz BVTGWEVFZXZWJR-OUAUKWLOSA-N 2 0 253.346 -0.534 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCOCC1 ZINC001522326293 922406923 /nfs/dbraw/zinc/40/69/23/922406923.db2.gz JTNQEXQLINSEPG-DCAQKATOSA-N 2 0 255.362 -0.016 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001522279522 922408190 /nfs/dbraw/zinc/40/81/90/922408190.db2.gz QBUZQLUUNIKRAY-OUAUKWLOSA-N 2 0 268.361 -0.868 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001522406232 922410600 /nfs/dbraw/zinc/41/06/00/922410600.db2.gz VKECUXVGZBIBIE-TUAOUCFPSA-N 2 0 267.373 -0.144 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001522360758 922410849 /nfs/dbraw/zinc/41/08/49/922410849.db2.gz ZFEFZVAOGWKQQL-USZNOCQGSA-N 2 0 255.362 -0.444 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCCC[C@H]1C[NH3+] ZINC001522444906 922416555 /nfs/dbraw/zinc/41/65/55/922416555.db2.gz IFJCNKVFBHLYFH-FRRDWIJNSA-N 2 0 266.389 -0.286 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCCN1CCC([NH3+])CC1 ZINC001522639075 922493799 /nfs/dbraw/zinc/49/37/99/922493799.db2.gz JGDWCKRQHXHSSL-NWDGAFQWSA-N 2 0 268.405 -0.101 20 0 CBADRP CC[NH+](CC)CC(=O)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001522657770 922498901 /nfs/dbraw/zinc/49/89/01/922498901.db2.gz UFUOLQOAMXMDHK-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001522705067 922506156 /nfs/dbraw/zinc/50/61/56/922506156.db2.gz DEPNTMOBQFSTGK-SECBINFHSA-N 2 0 251.334 -0.312 20 0 CBADRP C[NH+](C)CCCC(=O)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001522763695 922515766 /nfs/dbraw/zinc/51/57/66/922515766.db2.gz NRGPTSJCEIBZFP-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[C@@]1(C(=O)N2CCNCC[NH2+]CC2)CCC[NH2+]1 ZINC001523000906 922558320 /nfs/dbraw/zinc/55/83/20/922558320.db2.gz WYUMRCLQDIHRTH-ZDUSSCGKSA-N 2 0 254.378 -0.460 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC001523009620 922558374 /nfs/dbraw/zinc/55/83/74/922558374.db2.gz HPQHDXFAEGYHAS-MDZLAQPJSA-N 2 0 255.362 -0.313 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC001523009864 922558774 /nfs/dbraw/zinc/55/87/74/922558774.db2.gz KKSKMNLVBGINND-AAEUAGOBSA-N 2 0 255.362 -0.360 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC001523009623 922558837 /nfs/dbraw/zinc/55/88/37/922558837.db2.gz HPQHDXFAEGYHAS-NTZNESFSSA-N 2 0 255.362 -0.313 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)C1 ZINC001523009509 922559502 /nfs/dbraw/zinc/55/95/02/922559502.db2.gz GVMRRGNXJNDQEJ-HOSYDEDBSA-N 2 0 259.325 -0.754 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCNCC[NH2+]CC2)C1 ZINC001523000587 922559578 /nfs/dbraw/zinc/55/95/78/922559578.db2.gz WHQSWXODARIGQR-VXGBXAGGSA-N 2 0 254.378 -0.604 20 0 CBADRP CC[C@]1(C(=O)N2CCNCC[NH2+]CC2)CCC[NH2+]1 ZINC001523000904 922559739 /nfs/dbraw/zinc/55/97/39/922559739.db2.gz WYUMRCLQDIHRTH-CYBMUJFWSA-N 2 0 254.378 -0.460 20 0 CBADRP CC[C@@]1(C(=O)N2CCC[C@]([NH3+])(CO)C2)CCC[NH2+]1 ZINC001523010703 922561925 /nfs/dbraw/zinc/56/19/25/922561925.db2.gz WJFACILTLSJJIK-OLZOCXBDSA-N 2 0 255.362 -0.169 20 0 CBADRP C[NH+](C)CCC(=O)NC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001523251579 922577784 /nfs/dbraw/zinc/57/77/84/922577784.db2.gz TWSCRPCVRXBYHN-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001523248182 922577917 /nfs/dbraw/zinc/57/79/17/922577917.db2.gz RMXHUGNLVLQDDF-SFTQSGBHSA-N 2 0 267.373 -0.144 20 0 CBADRP CN(C(=O)C[NH2+]CC1CC1)C1(C[NH3+])CCOCC1 ZINC001523428453 922590966 /nfs/dbraw/zinc/59/09/66/922590966.db2.gz SIOFHKXLTSOOCJ-UHFFFAOYSA-N 2 0 255.362 -0.048 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001523442003 922593584 /nfs/dbraw/zinc/59/35/84/922593584.db2.gz OGBNFPCUDGUFKC-GHMZBOCLSA-N 2 0 267.373 -0.131 20 0 CBADRP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001523529954 922595681 /nfs/dbraw/zinc/59/56/81/922595681.db2.gz JPCGHRXMRHBDMX-XYPYZODXSA-N 2 0 255.362 -0.049 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001523543108 922595694 /nfs/dbraw/zinc/59/56/94/922595694.db2.gz BVKKPMKUKNBQLQ-UMSGYPCISA-N 2 0 267.373 -0.036 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[C@@H]1C[NH2+]CCO1)C2 ZINC001523551759 922600572 /nfs/dbraw/zinc/60/05/72/922600572.db2.gz UZRXLRYGOZXPMB-WHOHXGKFSA-N 2 0 253.346 -0.297 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001524029227 922615309 /nfs/dbraw/zinc/61/53/09/922615309.db2.gz KDLKGHGLGJHMFG-WOPDTQHZSA-N 2 0 256.394 -0.280 20 0 CBADRP O=C([C@H]1CCC[NH2+]1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001524009959 922616189 /nfs/dbraw/zinc/61/61/89/922616189.db2.gz ZCILDLHYGDOCJL-UPJWGTAASA-N 2 0 267.373 -0.204 20 0 CBADRP CN(C(=O)CO[C@H]1CCC[NH2+]C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001524128510 922621096 /nfs/dbraw/zinc/62/10/96/922621096.db2.gz DUIAKADBBXWTSX-MEWQQHAOSA-N 2 0 253.346 -0.569 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@H]1CC[NH+](C)C1 ZINC001527473548 922756527 /nfs/dbraw/zinc/75/65/27/922756527.db2.gz GLMLGSQHINFAME-UPJWGTAASA-N 2 0 266.389 -0.557 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001548554143 923374303 /nfs/dbraw/zinc/37/43/03/923374303.db2.gz RNXJDFIDXGIVAM-XUXIUFHCSA-N 2 0 299.415 -0.740 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548549843 923376531 /nfs/dbraw/zinc/37/65/31/923376531.db2.gz MZSOXCSCKNDGHX-DYEKYZERSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(N1CCC2(C1)CC[NH2+]CC2)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548555833 923379348 /nfs/dbraw/zinc/37/93/48/923379348.db2.gz WEOKWXSCBQXFMM-DOMZBBRYSA-N 2 0 279.384 -0.033 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001548557812 923379384 /nfs/dbraw/zinc/37/93/84/923379384.db2.gz NDJZHZRAOIKTMW-ZYHUDNBSSA-N 2 0 280.372 -0.001 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC001548554733 923379407 /nfs/dbraw/zinc/37/94/07/923379407.db2.gz JQISHXGXWYGWKV-RYUDHWBXSA-N 2 0 252.362 -0.757 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)CCO1 ZINC001548556347 923380523 /nfs/dbraw/zinc/38/05/23/923380523.db2.gz ATOFXBGYCOKMDN-ZWNOBZJWSA-N 2 0 282.344 -0.929 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2)C(F)F ZINC001548557276 923380724 /nfs/dbraw/zinc/38/07/24/923380724.db2.gz VDPMBUHMINCRCW-PELKAZGASA-N 2 0 290.314 -0.016 20 0 CBADRP COCC1(CNC(=O)[C@]23C[NH2+]C[C@H]2CCO3)CC[NH2+]CC1 ZINC001548557623 923380910 /nfs/dbraw/zinc/38/09/10/923380910.db2.gz JDIFSYSBNKGQNM-DOMZBBRYSA-N 2 0 297.399 -0.503 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC001548558682 923381636 /nfs/dbraw/zinc/38/16/36/923381636.db2.gz PRPJMUOSCXEWEV-HUUCEWRRSA-N 2 0 288.395 -0.107 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC001548558254 923383046 /nfs/dbraw/zinc/38/30/46/923383046.db2.gz OCQIKHKMJRTMKQ-NEPJUHHUSA-N 2 0 268.405 -0.216 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001548558801 923383766 /nfs/dbraw/zinc/38/37/66/923383766.db2.gz KHCKETFHWUEBKD-FZMZJTMJSA-N 2 0 296.371 -0.620 20 0 CBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548562951 923386220 /nfs/dbraw/zinc/38/62/20/923386220.db2.gz JSPOJTNEHAVGCE-QYTUQVAYSA-N 2 0 253.346 -0.393 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC001548563291 923386451 /nfs/dbraw/zinc/38/64/51/923386451.db2.gz ZNRKFENCMRWJRR-SUZMYJTESA-N 2 0 281.331 -0.212 20 0 CBADRP [NH3+]C[C@H](C(=O)N[C@H]1COC2(C[NH2+]C2)C1)c1ccccc1 ZINC001548569052 923389386 /nfs/dbraw/zinc/38/93/86/923389386.db2.gz MGMKFMLSIHJOLG-OLZOCXBDSA-N 2 0 275.352 -0.024 20 0 CBADRP [NH3+]C[C@]1(C(=O)NCC[C@H]2CSCC[NH2+]2)CCCOC1 ZINC001548566000 923389534 /nfs/dbraw/zinc/38/95/34/923389534.db2.gz RNDIJLKFEZMPBP-WCQYABFASA-N 2 0 287.429 -0.047 20 0 CBADRP [NH3+]Cc1nocc1C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001548566011 923389748 /nfs/dbraw/zinc/38/97/48/923389748.db2.gz RQUJVJWHWLZJES-QMMMGPOBSA-N 2 0 270.358 -0.042 20 0 CBADRP [NH3+]CCC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCO3)CC1 ZINC001548565431 923390065 /nfs/dbraw/zinc/39/00/65/923390065.db2.gz KULZHTDPTBVIDD-OCCSQVGLSA-N 2 0 267.373 -0.048 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CCCC[NH2+]1 ZINC001548569544 923390178 /nfs/dbraw/zinc/39/01/78/923390178.db2.gz PHQPOVQHNLBXMX-FZMZJTMJSA-N 2 0 283.372 -0.608 20 0 CBADRP [NH3+]C[C@H](C(=O)N[C@@H]1COC2(C[NH2+]C2)C1)c1ccccc1 ZINC001548569056 923390553 /nfs/dbraw/zinc/39/05/53/923390553.db2.gz MGMKFMLSIHJOLG-STQMWFEESA-N 2 0 275.352 -0.024 20 0 CBADRP COc1cccc([C@@H]([NH3+])C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)c1 ZINC001548569159 923391758 /nfs/dbraw/zinc/39/17/58/923391758.db2.gz MBOODQYCCCMJDB-WCQYABFASA-N 2 0 291.351 -0.058 20 0 CBADRP O=C(NCC[C@@H]1CSCC[NH2+]1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001548565125 923391971 /nfs/dbraw/zinc/39/19/71/923391971.db2.gz JSIHGXPZKZMYCS-LOWVWBTDSA-N 2 0 285.413 -0.566 20 0 CBADRP [NH3+]C[C@H](O)CNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC001548571480 923395038 /nfs/dbraw/zinc/39/50/38/923395038.db2.gz CQCUMFXNMLCYBK-ZDUSSCGKSA-N 2 0 277.368 -0.256 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001548570189 923395496 /nfs/dbraw/zinc/39/54/96/923395496.db2.gz TYMWCPJOJHJOMF-OLZOCXBDSA-N 2 0 275.352 -0.197 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)c1cc(C2CC[NH2+]CC2)no1 ZINC001548573539 923397013 /nfs/dbraw/zinc/39/70/13/923397013.db2.gz QNENVGJHAUOHNN-WDEREUQCSA-N 2 0 280.328 -0.796 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)c1cccc2c1CC[NH2+]C2 ZINC001548575286 923399291 /nfs/dbraw/zinc/39/92/91/923399291.db2.gz AGYSTJJVPCOBRQ-GFCCVEGCSA-N 2 0 277.368 -0.015 20 0 CBADRP O=C(C1=NO[C@]2(C1)CCC[NH2+]C2)N1CCOC2(C[NH2+]C2)C1 ZINC001548573926 923399508 /nfs/dbraw/zinc/39/95/08/923399508.db2.gz RVPGPVSQTIGYPK-ZDUSSCGKSA-N 2 0 294.355 -0.914 20 0 CBADRP O=C(C1=NO[C@@]2(C1)CCC[NH2+]C2)N1CCOC2(C[NH2+]C2)C1 ZINC001548573925 923400275 /nfs/dbraw/zinc/40/02/75/923400275.db2.gz RVPGPVSQTIGYPK-CYBMUJFWSA-N 2 0 294.355 -0.914 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC001548575305 923400864 /nfs/dbraw/zinc/40/08/64/923400864.db2.gz AWLWLCJZHONIFS-JSGCOSHPSA-N 2 0 277.368 -0.088 20 0 CBADRP COC[C@@]1(C(=O)N2CC3(C[NH2+]C3)OC(C)(C)C2)CC[NH2+]C1 ZINC001548579259 923402369 /nfs/dbraw/zinc/40/23/69/923402369.db2.gz RREPCFAXIHEKRA-CQSZACIVSA-N 2 0 297.399 -0.408 20 0 CBADRP C[NH2+]C1CC(C(=O)N2CC3(C[NH2+]C3)OC(C)(C)C2)C1 ZINC001548576317 923402726 /nfs/dbraw/zinc/40/27/26/923402726.db2.gz OSWGVXJQZJVBOS-UHFFFAOYSA-N 2 0 267.373 -0.036 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548578997 923402831 /nfs/dbraw/zinc/40/28/31/923402831.db2.gz OKPJISCOBDQWHC-SNVBAGLBSA-N 2 0 267.373 -0.036 20 0 CBADRP O=C(c1ccc2c[nH+]cn2c1)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001548577347 923403892 /nfs/dbraw/zinc/40/38/92/923403892.db2.gz CGRKASDEUMWELQ-CQSZACIVSA-N 2 0 285.307 -0.057 20 0 CBADRP CC1(C)CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC2(C[NH2+]C2)O1 ZINC001548576533 923404075 /nfs/dbraw/zinc/40/40/75/923404075.db2.gz RATPJSFGHZNRRQ-AWEZNQCLSA-N 2 0 297.399 -0.530 20 0 CBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548580457 923404190 /nfs/dbraw/zinc/40/41/90/923404190.db2.gz YCVYOPSEOAOQMW-GHMZBOCLSA-N 2 0 267.373 -0.036 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C1=NO[C@]3(C1)CCC[NH2+]C3)C2 ZINC001548581460 923404267 /nfs/dbraw/zinc/40/42/67/923404267.db2.gz JJDPGSVSEDUXGX-GLQYFDAESA-N 2 0 292.383 -0.047 20 0 CBADRP CC1(C)CN(C(=O)C[NH2+]C2CC2)CC2(C[NH2+]C2)O1 ZINC001548580022 923404370 /nfs/dbraw/zinc/40/43/70/923404370.db2.gz VKQYCLGKVZZYND-UHFFFAOYSA-N 2 0 253.346 -0.282 20 0 CBADRP [NH3+]C[C@]1(C(=O)N2CCC(OC3C[NH2+]C3)CC2)CCCOC1 ZINC001548587307 923406355 /nfs/dbraw/zinc/40/63/55/923406355.db2.gz HJBBYADMSMECIF-OAHLLOKOSA-N 2 0 297.399 -0.279 20 0 CBADRP COC[C@@]1(C(=O)N2CCC3(CC2)C[NH2+]CCO3)CC[NH2+]C1 ZINC001548586753 923406444 /nfs/dbraw/zinc/40/64/44/923406444.db2.gz SGNHIWHIGQRHFG-CQSZACIVSA-N 2 0 297.399 -0.407 20 0 CBADRP O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCC(OC2C[NH2+]C2)CC1 ZINC001548589471 923406925 /nfs/dbraw/zinc/40/69/25/923406925.db2.gz DIWZYGHRGAXZMS-HIFRSBDPSA-N 2 0 279.384 -0.035 20 0 CBADRP [NH3+]C[C@@]1(C(=O)N2CCC3(CC2)C[NH2+]CCO3)CCCOC1 ZINC001548585838 923407998 /nfs/dbraw/zinc/40/79/98/923407998.db2.gz AKDFSSVEGVHKSU-AWEZNQCLSA-N 2 0 297.399 -0.277 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[NH+](CC2CC2)CC1 ZINC001548628976 923416423 /nfs/dbraw/zinc/41/64/23/923416423.db2.gz YTWWCUNELNXOKP-DZGCQCFKSA-N 2 0 292.427 -0.071 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC1(C[NH+](C)C)CCC1 ZINC001548700207 923460214 /nfs/dbraw/zinc/46/02/14/923460214.db2.gz STDOAMMVBPBSSB-OLZOCXBDSA-N 2 0 280.416 -0.025 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC001548695909 923460365 /nfs/dbraw/zinc/46/03/65/923460365.db2.gz VTQYILQGQIJLIP-MQYQWHSLSA-N 2 0 278.400 -0.605 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC001548707939 923465769 /nfs/dbraw/zinc/46/57/69/923465769.db2.gz FXRDHICNIMGBBZ-FMKPAKJESA-N 2 0 292.427 -0.071 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC001548731530 923481355 /nfs/dbraw/zinc/48/13/55/923481355.db2.gz GTEBDGCEIPEXRH-HZSPNIEDSA-N 2 0 278.400 -0.319 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@](O)(C[NH+](C)C)C2)C1 ZINC001548750069 923494618 /nfs/dbraw/zinc/49/46/18/923494618.db2.gz MJBNSMAQOHNSDD-GXTWGEPZSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@](O)(C[NH+](C)C)C2)C1 ZINC001548750071 923495150 /nfs/dbraw/zinc/49/51/50/923495150.db2.gz MJBNSMAQOHNSDD-OCCSQVGLSA-N 2 0 269.389 -0.147 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)CC3(C[NH3+])CC3)C[C@@H]2[NH3+])cn1 ZINC001548945433 923514338 /nfs/dbraw/zinc/51/43/38/923514338.db2.gz PLORYNJCVCKUTA-RYUDHWBXSA-N 2 0 277.372 -0.198 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001548951093 923519640 /nfs/dbraw/zinc/51/96/40/923519640.db2.gz MSAFTPVEYGHNQN-IXOXFDKPSA-N 2 0 277.372 -0.471 20 0 CBADRP [NH3+][C@@H]1C[C@H]1C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC001549026364 923523507 /nfs/dbraw/zinc/52/35/07/923523507.db2.gz QKBMRJFWNCNUPO-VXGBXAGGSA-N 2 0 275.356 -0.003 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1C[C@H]([NH3+])[C@@H](c2ccccc2F)C1 ZINC001549033106 923525736 /nfs/dbraw/zinc/52/57/36/923525736.db2.gz IMQQFCZXGBCNBD-PWSUYJOCSA-N 2 0 294.330 -0.846 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@H]1c1ccc(F)cc1 ZINC001549042823 923526192 /nfs/dbraw/zinc/52/61/92/923526192.db2.gz DFJQLNKLPKJNHH-FQUUOJAGSA-N 2 0 293.342 -0.198 20 0 CBADRP O=C(CN1CCCC[C@H]1[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC001549043469 923527384 /nfs/dbraw/zinc/52/73/84/923527384.db2.gz KBOOSDPFQJJBFL-KBPBESRZSA-N 2 0 280.416 -0.118 20 0 CBADRP Nc1cc[nH+]cc1C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549044756 923535038 /nfs/dbraw/zinc/53/50/38/923535038.db2.gz CJZRJWSPFBOMFJ-NEPJUHHUSA-N 2 0 262.313 -0.303 20 0 CBADRP O=C([C@@H]1C[C@@H]2C[C@@H]2[NH2+]1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549044833 923535088 /nfs/dbraw/zinc/53/50/88/923535088.db2.gz KZWGDZWKZQMCGI-KKJSVHSVSA-N 2 0 251.330 -0.674 20 0 CBADRP [NH3+]Cc1cc(C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)co1 ZINC001549045167 923536458 /nfs/dbraw/zinc/53/64/58/923536458.db2.gz ZLUWMXUBTLSEKZ-RYUDHWBXSA-N 2 0 265.313 -0.059 20 0 CBADRP COCC1(C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)CC[NH2+]CC1 ZINC001549045176 923537238 /nfs/dbraw/zinc/53/72/38/923537238.db2.gz ZRSBBULAEWXYTC-STQMWFEESA-N 2 0 297.399 -0.408 20 0 CBADRP O=C(CC1CC[NH2+]CC1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549045186 923538222 /nfs/dbraw/zinc/53/82/22/923538222.db2.gz JIBXWIVTUDEWPB-STQMWFEESA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)C1CCOCC1 ZINC001549046126 923538593 /nfs/dbraw/zinc/53/85/93/923538593.db2.gz IERRVCOQTGEXHI-RYUDHWBXSA-N 2 0 271.361 -0.765 20 0 CBADRP [NH3+][C@@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)C1CCOCC1 ZINC001549045502 923538627 /nfs/dbraw/zinc/53/86/27/923538627.db2.gz ATMLOXHBCVWBBG-ZIAGYGMSSA-N 2 0 296.415 -0.754 20 0 CBADRP [NH3+]C1CCC(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC001549046426 923538939 /nfs/dbraw/zinc/53/89/39/923538939.db2.gz WYDMZAAJTMKVDY-MCIGGMRASA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(C1CC[NH2+]CC1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549045194 923539982 /nfs/dbraw/zinc/53/99/82/923539982.db2.gz KBPULRMFOVLBIA-VXGBXAGGSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)C1CCOCC1 ZINC001549045499 923540508 /nfs/dbraw/zinc/54/05/08/923540508.db2.gz ATMLOXHBCVWBBG-KBPBESRZSA-N 2 0 296.415 -0.754 20 0 CBADRP O=C(CC[C@@H]1CC[NH2+]C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549045681 923540562 /nfs/dbraw/zinc/54/05/62/923540562.db2.gz GQBDGJPMWGKUQX-ZIAGYGMSSA-N 2 0 280.416 -0.118 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001549047134 923543885 /nfs/dbraw/zinc/54/38/85/923543885.db2.gz KXPALBGCJDHOAN-PWSUYJOCSA-N 2 0 280.376 -0.244 20 0 CBADRP CC(C)(C[NH3+])C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001549047137 923544063 /nfs/dbraw/zinc/54/40/63/923544063.db2.gz KYQNWKWKSJOBIY-NSHDSACASA-N 2 0 280.376 -0.115 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001549047347 923544931 /nfs/dbraw/zinc/54/49/31/923544931.db2.gz RKGGGIHSZVLMKF-CYZMBNFOSA-N 2 0 292.387 -0.102 20 0 CBADRP C[C@@]1(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC[NH2+]C1 ZINC001549047689 923547529 /nfs/dbraw/zinc/54/75/29/923547529.db2.gz WKRSZCMKHSVKTC-TZMCWYRMSA-N 2 0 292.387 -0.100 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)CC(C)(C)[NH3+])C[C@H]2[NH3+])cn1 ZINC001549050877 923550026 /nfs/dbraw/zinc/55/00/26/923550026.db2.gz QBESKWUYUWABBL-GHMZBOCLSA-N 2 0 265.361 -0.199 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@@H]1c1ccccc1F ZINC001549051244 923550622 /nfs/dbraw/zinc/55/06/22/923550622.db2.gz UGLCGPPWTWZQMV-FRJFDASCSA-N 2 0 293.342 -0.198 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCOCC2)CCCO1 ZINC001549050610 923550679 /nfs/dbraw/zinc/55/06/79/923550679.db2.gz OUNJXNMLQFVMLL-VXGBXAGGSA-N 2 0 271.361 -0.684 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@]3(C)CCC[NH2+]3)C[C@@H]2[NH3+])cn1 ZINC001549052817 923554794 /nfs/dbraw/zinc/55/47/94/923554794.db2.gz WQFHOROIHGQRJJ-OBJOEFQTSA-N 2 0 277.372 -0.185 20 0 CBADRP [NH3+]C[C@@]12CCC[C@@H]1C[N@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC001549114839 923555619 /nfs/dbraw/zinc/55/56/19/923555619.db2.gz BYXMLPZBSQEZTE-UKRRQHHQSA-N 3 0 280.416 -0.131 20 0 CBADRP [NH3+]C[C@@]12CCC[C@H]1C[N@H+](CCN1CC[NH2+]CC1)C2 ZINC001549117096 923558167 /nfs/dbraw/zinc/55/81/67/923558167.db2.gz PZQILGWXMNKDEG-UONOGXRCSA-N 3 0 252.406 -0.048 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)C[C@H]1COCC[NH2+]1)C2 ZINC001549129510 923559341 /nfs/dbraw/zinc/55/93/41/923559341.db2.gz SHHKYCVGGQEYEU-DYEKYZERSA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]1CC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001549125232 923560828 /nfs/dbraw/zinc/56/08/28/923560828.db2.gz INQFPPNLXPUQES-GRYCIOLGSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)[C@H]3C[NH2+]CCO3)C2)C1 ZINC001549123970 923560920 /nfs/dbraw/zinc/56/09/20/923560920.db2.gz KEMYJBGGYCTDBC-RFQIPJPRSA-N 2 0 297.399 -0.280 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@@H]1COC3)C2 ZINC001549130460 923560959 /nfs/dbraw/zinc/56/09/59/923560959.db2.gz WDRGZXDFVVYRRK-UXOAXIEHSA-N 2 0 279.384 -0.190 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)[C@H]1C[NH2+]CCO1)C2 ZINC001549128501 923561190 /nfs/dbraw/zinc/56/11/90/923561190.db2.gz MOEONZOYUQOHNL-WZRBSPASSA-N 2 0 253.346 -0.438 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]C2)CCCO1 ZINC001549170867 923567509 /nfs/dbraw/zinc/56/75/09/923567509.db2.gz VUFKVJFRCMBOOW-VXGBXAGGSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)C[C@H]2CCC[NH2+]C2)CCCO1 ZINC001549170861 923567552 /nfs/dbraw/zinc/56/75/52/923567552.db2.gz VUFKVJFRCMBOOW-NEPJUHHUSA-N 2 0 255.362 -0.048 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549171591 923567659 /nfs/dbraw/zinc/56/76/59/923567659.db2.gz APBZNDZMJSXLJS-UONOGXRCSA-N 2 0 280.416 -0.118 20 0 CBADRP CCO[C@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)C[C@@H]1C[NH3+] ZINC001549212569 923570162 /nfs/dbraw/zinc/57/01/62/923570162.db2.gz LWOBXITXWJCGCT-ATJQQHLPSA-N 2 0 282.388 -0.256 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)N1CC[C@H]2C[NH2+]C[C@@H]21 ZINC001549213051 923570486 /nfs/dbraw/zinc/57/04/86/923570486.db2.gz XHIOGVKQNKMOTE-ZRZGDYATSA-N 2 0 250.346 -0.258 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC[C@@H]1F ZINC001549211087 923570785 /nfs/dbraw/zinc/57/07/85/923570785.db2.gz TVPRCXUKJDNPNE-OUAUKWLOSA-N 2 0 274.340 -0.554 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001549290040 923576884 /nfs/dbraw/zinc/57/68/84/923576884.db2.gz JAKGHNIYGXITIR-KQXCDPHESA-N 2 0 251.330 -0.909 20 0 CBADRP O=C([C@@H]1CCCC[NH2+]C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549286027 923578217 /nfs/dbraw/zinc/57/82/17/923578217.db2.gz OFWUHEZIEONEOB-ZIAGYGMSSA-N 2 0 280.416 -0.118 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)C[C@@H]2CC[NH2+]C[C@@H]2F)CCCO1 ZINC001549291560 923579717 /nfs/dbraw/zinc/57/97/17/923579717.db2.gz ILUPZTHFLOPYRC-TUAOUCFPSA-N 2 0 273.352 -0.100 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC001549291474 923579909 /nfs/dbraw/zinc/57/99/09/923579909.db2.gz GMVRMKKRMVGXOR-GVXVVHGQSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549293118 923580809 /nfs/dbraw/zinc/58/08/09/923580809.db2.gz RLAIWIVHSCJVNX-ZJQBRPOHSA-N 2 0 267.373 -0.062 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])C[C@H]2[NH3+])cn1 ZINC001549291709 923581678 /nfs/dbraw/zinc/58/16/78/923581678.db2.gz DJANHWSURPTRPC-MROQNXINSA-N 2 0 277.372 -0.199 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)CC3([NH3+])CC3)C[C@@H]2[NH3+])cn1 ZINC001549292931 923582158 /nfs/dbraw/zinc/58/21/58/923582158.db2.gz PWTGLLJTFXRKIA-MNOVXSKESA-N 2 0 263.345 -0.445 20 0 CBADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1C[C@H](O)C[NH2+]1 ZINC001549295123 923585193 /nfs/dbraw/zinc/58/51/93/923585193.db2.gz FCAQHQUVJULAHZ-UMSGYPCISA-N 2 0 267.373 -0.158 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)c1cn(C2CC[NH2+]CC2)nn1 ZINC001549300962 923586548 /nfs/dbraw/zinc/58/65/48/923586548.db2.gz HZLNKGXNVOUFDS-UHFFFAOYSA-N 2 0 290.371 -0.316 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)N1CC2CC1(C[NH3+])C2 ZINC001549298862 923587267 /nfs/dbraw/zinc/58/72/67/923587267.db2.gz WMHYAMSECLTYNW-DMLGSKKGSA-N 2 0 268.361 -0.964 20 0 CBADRP [NH3+]CCCC(=O)NCc1cccc(N2CC[C@H]([NH3+])C2)n1 ZINC001549727312 923630725 /nfs/dbraw/zinc/63/07/25/923630725.db2.gz SDODDJRYDAOOQJ-NSHDSACASA-N 2 0 277.372 -0.026 20 0 CBADRP CC(C)([NH3+])CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549729105 923632067 /nfs/dbraw/zinc/63/20/67/923632067.db2.gz ZOXUBYQMHRQLRQ-RISCZKNCSA-N 2 0 296.415 -0.123 20 0 CBADRP CC(C)[NH2+]CC(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549731910 923632482 /nfs/dbraw/zinc/63/24/82/923632482.db2.gz BGRZTRBGLMRHSG-WDEREUQCSA-N 2 0 265.361 -0.329 20 0 CBADRP O=C(Nc1c[nH]nc1[C@@H]1CC[NH2+]C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001549731840 923632824 /nfs/dbraw/zinc/63/28/24/923632824.db2.gz QPQAKDKDLZKXMO-REIXXSIJSA-N 2 0 261.329 -0.110 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)C[NH2+]C3CC3)C[C@@H]2[NH3+])c1 ZINC001549733429 923633058 /nfs/dbraw/zinc/63/30/58/923633058.db2.gz AQBJTZHBRRRULK-MNOVXSKESA-N 2 0 263.345 -0.575 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549728330 923633084 /nfs/dbraw/zinc/63/30/84/923633084.db2.gz OOMMEIYLJIQFIO-ZKYQVNSYSA-N 2 0 296.415 -0.395 20 0 CBADRP C[NH2+]CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549729210 923633816 /nfs/dbraw/zinc/63/38/16/923633816.db2.gz DIMFICCWXKDPNT-RISCZKNCSA-N 2 0 282.388 -0.641 20 0 CBADRP O=C(C[NH2+]C1CC1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549730997 923634091 /nfs/dbraw/zinc/63/40/91/923634091.db2.gz LKBSIYNISZWHNN-DOMZBBRYSA-N 2 0 294.399 -0.499 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@]3(C)CC[NH2+]C3)C[C@@H]2[NH3+])c1 ZINC001549734601 923635107 /nfs/dbraw/zinc/63/51/07/923635107.db2.gz FUTZYEMVYYUQIY-SUNKGSAMSA-N 2 0 277.372 -0.327 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549735140 923635681 /nfs/dbraw/zinc/63/56/81/923635681.db2.gz JBZYWIRSJFWLLH-GARJFASQSA-N 2 0 265.361 -0.471 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)C[C@@H]([NH3+])C3CC3)C[C@@H]2[NH3+])c1 ZINC001549738132 923636046 /nfs/dbraw/zinc/63/60/46/923636046.db2.gz JYBDMKKQFTWEPQ-UTUOFQBUSA-N 2 0 277.372 -0.199 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)C3CC([NH3+])C3)C[C@H]2[NH3+])c1 ZINC001549740121 923639295 /nfs/dbraw/zinc/63/92/95/923639295.db2.gz WDPSQZJFOOQAAJ-JPPWEJMLSA-N 2 0 263.345 -0.590 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)CC3(C[NH3+])CC3)C[C@H]2[NH3+])c1 ZINC001549744679 923639463 /nfs/dbraw/zinc/63/94/63/923639463.db2.gz WNFGVNUDAFISDI-GHMZBOCLSA-N 2 0 277.372 -0.198 20 0 CBADRP C[C@]12C[NH2+]C[C@]1(C)CN(C(=O)[C@H]1C[NH2+]CCOC1)C2 ZINC001549899083 923644809 /nfs/dbraw/zinc/64/48/09/923644809.db2.gz MVHJDVLQFHVFHR-IACUBPJLSA-N 2 0 267.373 -0.320 20 0 CBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C1 ZINC001549900174 923645026 /nfs/dbraw/zinc/64/50/26/923645026.db2.gz WUZRPCJEHMRQST-AXFHLTTASA-N 2 0 255.362 -0.396 20 0 CBADRP O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1C[NH2+]CCO1 ZINC001549882645 923645382 /nfs/dbraw/zinc/64/53/82/923645382.db2.gz LGOVMHDEGSTUQW-FGNRJIRKSA-N 2 0 253.346 -0.378 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[C@]2(C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)C1 ZINC001549901591 923649070 /nfs/dbraw/zinc/64/90/70/923649070.db2.gz DTHMKUKOBBZZMK-JLDUMIBSSA-N 2 0 265.357 -0.297 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550006253 923660828 /nfs/dbraw/zinc/66/08/28/923660828.db2.gz ZOFAVLBYECJOQZ-ZIAGYGMSSA-N 2 0 280.416 -0.071 20 0 CBADRP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001550060713 923661829 /nfs/dbraw/zinc/66/18/29/923661829.db2.gz VHRZGKCPGVUONI-FRRDWIJNSA-N 2 0 284.379 -0.560 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001550063196 923664374 /nfs/dbraw/zinc/66/43/74/923664374.db2.gz KOTPJFZKTUBXEM-CRWXNKLISA-N 2 0 297.399 -0.153 20 0 CBADRP C[C@]1(C(=O)N2C[C@H]3CCC[C@@]3(C[NH3+])C2)C[NH2+]CCO1 ZINC001550068546 923665582 /nfs/dbraw/zinc/66/55/82/923665582.db2.gz OCOXASVRKJKXNO-MRVWCRGKSA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001550073518 923666031 /nfs/dbraw/zinc/66/60/31/923666031.db2.gz NDBDGCQKOJVVNW-AXFHLTTASA-N 2 0 253.346 -0.249 20 0 CBADRP [NH3+]C[C@@]12CCC[C@H]1CN(C(=O)CN1CC[NH2+]CC1)C2 ZINC001550069991 923666203 /nfs/dbraw/zinc/66/62/03/923666203.db2.gz YRODIBFSACSZKJ-GXTWGEPZSA-N 2 0 266.389 -0.521 20 0 CBADRP [NH3+][C@H](Cc1ncccn1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001550073442 923666355 /nfs/dbraw/zinc/66/63/55/923666355.db2.gz AJMCXVBKSPLYNZ-GHMZBOCLSA-N 2 0 275.356 -0.253 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)[C@H]1OCC[C@H]1[NH3+])C2 ZINC001550069402 923666372 /nfs/dbraw/zinc/66/63/72/923666372.db2.gz SLLZTFMJYPSQQZ-DCQANWLSSA-N 2 0 253.346 -0.310 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001550074017 923666438 /nfs/dbraw/zinc/66/64/38/923666438.db2.gz WHLSLBFBYJMZGA-ZYHUDNBSSA-N 2 0 282.388 -0.513 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1c1ccccc1)[C@@H]1C[NH2+]CCO1 ZINC001550073828 923666723 /nfs/dbraw/zinc/66/67/23/923666723.db2.gz QDWSXUNRVKNDPY-MCIONIFRSA-N 2 0 275.352 -0.153 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001550074016 923667351 /nfs/dbraw/zinc/66/73/51/923667351.db2.gz WHLSLBFBYJMZGA-CMPLNLGQSA-N 2 0 282.388 -0.513 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550084683 923669205 /nfs/dbraw/zinc/66/92/05/923669205.db2.gz KCNRHIKJYZSBCF-RYUDHWBXSA-N 2 0 267.373 -0.129 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550080009 923669936 /nfs/dbraw/zinc/66/99/36/923669936.db2.gz FUTYBAJZGMCYNH-MXWKQRLJSA-N 2 0 253.346 -0.392 20 0 CBADRP COC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001550078627 923670156 /nfs/dbraw/zinc/67/01/56/923670156.db2.gz YLFOYGHVLPOFJT-AVGNSLFASA-N 2 0 263.341 -0.168 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550081006 923670775 /nfs/dbraw/zinc/67/07/75/923670775.db2.gz JPCGUSHRUVKIQV-LLVKDONJSA-N 2 0 277.372 -0.002 20 0 CBADRP O=C(NC[C@@H]1CC12CC[NH2+]CC2)[C@H]1C[NH2+]CCOC1 ZINC001550081001 923670909 /nfs/dbraw/zinc/67/09/09/923670909.db2.gz KTZYDWJWQGMSOC-RYUDHWBXSA-N 2 0 267.373 -0.272 20 0 CBADRP O=C(NC[C@@H]1CC12CC[NH2+]CC2)[C@H]1C[NH2+]CCO1 ZINC001550087627 923672187 /nfs/dbraw/zinc/67/21/87/923672187.db2.gz ZICLFVAWQANLDU-WDEREUQCSA-N 2 0 253.346 -0.519 20 0 CBADRP CC(C)(C[NH3+])C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087849 923672579 /nfs/dbraw/zinc/67/25/79/923672579.db2.gz JTXYURFVWGRIRG-JTQLQIEISA-N 2 0 266.349 -0.586 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087787 923672612 /nfs/dbraw/zinc/67/26/12/923672612.db2.gz FWDQZUQAASIEQA-YNEHKIRRSA-N 2 0 292.387 -0.054 20 0 CBADRP [NH3+][C@@H]1CC[C@H](C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC001550087659 923672819 /nfs/dbraw/zinc/67/28/19/923672819.db2.gz ASCJDGTVVFLUEM-UMNHJUIQSA-N 2 0 278.360 -0.444 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC001550088172 923673003 /nfs/dbraw/zinc/67/30/03/923673003.db2.gz NTCKGPPUVVRDGI-WCQYABFASA-N 2 0 292.387 -0.230 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087783 923673158 /nfs/dbraw/zinc/67/31/58/923673158.db2.gz FWDQZUQAASIEQA-JHJVBQTASA-N 2 0 292.387 -0.054 20 0 CBADRP C[C@@]1(C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)CC[NH2+]C1 ZINC001550088929 923674315 /nfs/dbraw/zinc/67/43/15/923674315.db2.gz YJOWKXCMEMLILH-WCQYABFASA-N 2 0 278.360 -0.572 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550089954 923674466 /nfs/dbraw/zinc/67/44/66/923674466.db2.gz YHPTYXDZWIRCHH-RYUDHWBXSA-N 2 0 267.373 -0.129 20 0 CBADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@@]1(F)CC[NH2+]C1 ZINC001550088917 923675183 /nfs/dbraw/zinc/67/51/83/923675183.db2.gz XWISFDYUTRUVJP-ZYHUDNBSSA-N 2 0 282.323 -0.870 20 0 CBADRP CCC[C@@H]([NH3+])C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550088490 923675226 /nfs/dbraw/zinc/67/52/26/923675226.db2.gz PUXAPKGCSOKIJI-GHMZBOCLSA-N 2 0 266.349 -0.444 20 0 CBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)CC3([NH3+])CC3)CC2)C1=O ZINC001550092408 923675595 /nfs/dbraw/zinc/67/55/95/923675595.db2.gz FMBKLOQBDGULLQ-GFCCVEGCSA-N 2 0 294.399 -0.321 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550089795 923675880 /nfs/dbraw/zinc/67/58/80/923675880.db2.gz WYPPHJZMDZLHNW-GHMZBOCLSA-N 2 0 255.362 -0.144 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550089966 923675941 /nfs/dbraw/zinc/67/59/41/923675941.db2.gz YSFMXWJZJIVPBB-NEPJUHHUSA-N 2 0 294.399 -0.640 20 0 CBADRP COC[C@@H]([NH3+])C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001550090105 923676038 /nfs/dbraw/zinc/67/60/38/923676038.db2.gz UYTJMJMGPSEJQC-QWHCGFSZSA-N 2 0 285.388 -0.423 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001550093092 923677149 /nfs/dbraw/zinc/67/71/49/923677149.db2.gz UALAYIRUCGZARQ-YPMHNXCESA-N 2 0 296.415 -0.075 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001550096098 923677303 /nfs/dbraw/zinc/67/73/03/923677303.db2.gz VTRRNYGJHKZMIP-GXSJLCMTSA-N 2 0 266.349 -0.492 20 0 CBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)C3([NH3+])CC3)CC2)C1=O ZINC001550092838 923677523 /nfs/dbraw/zinc/67/75/23/923677523.db2.gz OWPTTWHSRNQEGJ-LLVKDONJSA-N 2 0 280.372 -0.711 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001550094860 923678959 /nfs/dbraw/zinc/67/89/59/923678959.db2.gz AGHIVKZEHHCJEY-SKDRFNHKSA-N 2 0 278.360 -0.349 20 0 CBADRP CC(C)[NH2+]CC(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001550096596 923679275 /nfs/dbraw/zinc/67/92/75/923679275.db2.gz MRMCOJBLWOGKFZ-LLVKDONJSA-N 2 0 266.349 -0.492 20 0 CBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3C[C@@H]3[NH3+])CC2)C1=O ZINC001550092848 923679321 /nfs/dbraw/zinc/67/93/21/923679321.db2.gz PKTRLSKYABXFLW-SRVKXCTJSA-N 2 0 280.372 -0.855 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001550094589 923679363 /nfs/dbraw/zinc/67/93/63/923679363.db2.gz RZZKCIXXPLRJIL-GFCCVEGCSA-N 2 0 280.376 -0.150 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001550092830 923679674 /nfs/dbraw/zinc/67/96/74/923679674.db2.gz OOQWGXGSWJWKBF-CMPLNLGQSA-N 2 0 282.388 -0.608 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001550096298 923679692 /nfs/dbraw/zinc/67/96/92/923679692.db2.gz JNJLNFSIAFXLIQ-XQQFMLRXSA-N 2 0 292.387 -0.102 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)c3cn(CC[NH3+])nn3)CC[C@@H]21 ZINC001550104395 923683298 /nfs/dbraw/zinc/68/32/98/923683298.db2.gz MQWVEHJGJPESJH-JQWIXIFHSA-N 2 0 278.360 -0.597 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550106066 923683356 /nfs/dbraw/zinc/68/33/56/923683356.db2.gz RSRFDMPJGRVOLU-YHWZYXNKSA-N 2 0 266.389 -0.462 20 0 CBADRP [NH3+][C@@H](Cc1ncccn1)C(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550106019 923684063 /nfs/dbraw/zinc/68/40/63/923684063.db2.gz QNBVZKILEXNEQB-WVMKXHBISA-N 2 0 289.383 -0.007 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550104753 923684531 /nfs/dbraw/zinc/68/45/31/923684531.db2.gz AFDYTSXBLDAKIY-CMGMYYOESA-N 2 0 296.415 -0.267 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC[C@@H]21 ZINC001550103524 923684570 /nfs/dbraw/zinc/68/45/70/923684570.db2.gz CNVBULBQRGMPRP-WYUUTHIRSA-N 2 0 253.346 -0.738 20 0 CBADRP C[C@H](C(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1)[NH+](C)C ZINC001550112875 923685793 /nfs/dbraw/zinc/68/57/93/923685793.db2.gz LOYPUMZVORCYKB-VWYCJHECSA-N 2 0 265.361 -0.377 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]1C(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550106917 923686550 /nfs/dbraw/zinc/68/65/50/923686550.db2.gz ZPXYASIUDZXCNY-UPUXHGCUSA-N 2 0 253.346 -0.251 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550112721 923687039 /nfs/dbraw/zinc/68/70/39/923687039.db2.gz WLLSTDIMNWVHKL-AVGNSLFASA-N 2 0 297.399 -0.375 20 0 CBADRP C[C@H](C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)[NH+](C)C ZINC001550112113 923687378 /nfs/dbraw/zinc/68/73/78/923687378.db2.gz SZTMZUQSWQPYEH-SCDSUCTJSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cn([C@H]3CC[NH2+]C3)nn1)C2 ZINC001550117465 923690441 /nfs/dbraw/zinc/69/04/41/923690441.db2.gz WDBXMJYYDZIFSR-COPLHBTASA-N 2 0 290.371 -0.506 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550117338 923691289 /nfs/dbraw/zinc/69/12/89/923691289.db2.gz YPJOAFCOSIVMCE-QWHCGFSZSA-N 2 0 268.405 -0.167 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)C2)CC1 ZINC001550116766 923692372 /nfs/dbraw/zinc/69/23/72/923692372.db2.gz RPJWOOXYEPNBHI-HZSPNIEDSA-N 2 0 280.416 -0.038 20 0 CBADRP OC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC001550148382 923699042 /nfs/dbraw/zinc/69/90/42/923699042.db2.gz NAFRGZFKTKADJA-QXSJWSMHSA-N 2 0 295.427 -0.010 20 0 CBADRP Cn1cc([C@@H]2CN(C[C@@H]3C[C@@H](F)C[NH2+]3)C[C@H]2[NH3+])cn1 ZINC001550175731 923702394 /nfs/dbraw/zinc/70/23/94/923702394.db2.gz YRBMDLKBBARAQH-MROQNXINSA-N 2 0 267.352 -0.153 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001550183992 923708002 /nfs/dbraw/zinc/70/80/02/923708002.db2.gz PPDNBOCCNCTHLW-RWMBFGLXSA-N 2 0 285.388 -0.295 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CC[NH2+]CCC23CCC3)nn1 ZINC001550205233 923709562 /nfs/dbraw/zinc/70/95/62/923709562.db2.gz YYGFUIOQPLKNRX-UHFFFAOYSA-N 2 0 278.360 -0.405 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]([NH3+])CC3CC3)C2)CC1 ZINC001550191900 923709691 /nfs/dbraw/zinc/70/96/91/923709691.db2.gz CLFXVTPORSDROM-KBPBESRZSA-N 2 0 280.416 -0.038 20 0 CBADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@H]2C[C@@H]2[NH3+])CC1 ZINC001550204868 923709846 /nfs/dbraw/zinc/70/98/46/923709846.db2.gz UATYXVKIPQIBLF-RYUDHWBXSA-N 2 0 294.399 -0.334 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]([NH3+])CC3CC3)C2)CC1 ZINC001550191906 923710088 /nfs/dbraw/zinc/71/00/88/923710088.db2.gz CLFXVTPORSDROM-ZIAGYGMSSA-N 2 0 280.416 -0.038 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001550205772 923711153 /nfs/dbraw/zinc/71/11/53/923711153.db2.gz YEHBHXKURCEGCW-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001550236573 923712495 /nfs/dbraw/zinc/71/24/95/923712495.db2.gz FLWBFOQWQHLKTE-DYEKYZERSA-N 2 0 267.373 -0.299 20 0 CBADRP [NH3+][C@@H]1COCC[C@@H]1NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001550269564 923712765 /nfs/dbraw/zinc/71/27/65/923712765.db2.gz GGFOANRQTHINHZ-OUAUKWLOSA-N 2 0 268.361 -0.314 20 0 CBADRP [NH3+][C@@H]1COCC[C@@H]1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC001550269217 923713070 /nfs/dbraw/zinc/71/30/70/923713070.db2.gz VPFOCFFSXLCNOJ-OWNCLDLKSA-N 2 0 254.334 -0.846 20 0 CBADRP COC[C@@H]([NH3+])C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001550238317 923713805 /nfs/dbraw/zinc/71/38/05/923713805.db2.gz HSMFIBOMYNMYEL-YPMHNXCESA-N 2 0 255.362 -0.048 20 0 CBADRP N[C@@H]1CN(C(=O)NCC2CC[NH+](CC3CC3)CC2)C[C@H]1[NH3+] ZINC001550269717 923714588 /nfs/dbraw/zinc/71/45/88/923714588.db2.gz HKOSHKWWVRMZCF-ZIAGYGMSSA-N 2 0 295.431 -0.212 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550288971 923715413 /nfs/dbraw/zinc/71/54/13/923715413.db2.gz QFJXVVJUDUCDMB-AGUYFDCRSA-N 2 0 295.431 -0.279 20 0 CBADRP c1cc(CN[C@@H]2C[NH2+]CCOC2)c(O[C@@H]2CC[NH2+]C2)cn1 ZINC001550474908 923729994 /nfs/dbraw/zinc/72/99/94/923729994.db2.gz OGPLEKPNICQSFX-ZIAGYGMSSA-N 2 0 292.383 -0.100 20 0 CBADRP C[C@H]1C[NH2+]C[C@H]1CN1CCNC(=O)CC12C[NH2+]C2 ZINC001550699912 923738096 /nfs/dbraw/zinc/73/80/96/923738096.db2.gz PVBUHIHWWHFDGP-QWRGUYRKSA-N 2 0 252.362 -0.994 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001550721758 923738256 /nfs/dbraw/zinc/73/82/56/923738256.db2.gz PHEHNJUTOJOGMT-WJTVCTBASA-N 2 0 281.356 -0.905 20 0 CBADRP COCCN1C(=O)N[C@H]2C[N@@H+](CC3CC([NH3+])C3)CC[C@H]21 ZINC001550704902 923739512 /nfs/dbraw/zinc/73/95/12/923739512.db2.gz PGWDGRUCOIYRMV-IFWUJCSASA-N 2 0 282.388 -0.162 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC001550733340 923740533 /nfs/dbraw/zinc/74/05/33/923740533.db2.gz APXXIFYHLLGKJW-MBHSVXNSSA-N 2 0 282.388 -0.242 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001550733508 923740638 /nfs/dbraw/zinc/74/06/38/923740638.db2.gz WFNUTQRCNNFHRN-OBJOEFQTSA-N 2 0 282.388 -0.194 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC12CCC2 ZINC001550732636 923740741 /nfs/dbraw/zinc/74/07/41/923740741.db2.gz HJTRCPIPWAIMHZ-VXGBXAGGSA-N 2 0 282.388 -0.112 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)C[C@H]1CC[NH3+] ZINC001550731376 923740782 /nfs/dbraw/zinc/74/07/82/923740782.db2.gz LOYUHJGKWPNYRP-JHJVBQTASA-N 2 0 284.404 -0.009 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@H]1F)N[C@H]1CC[NH2+]C12CCC2 ZINC001550746468 923742578 /nfs/dbraw/zinc/74/25/78/923742578.db2.gz PLGNUFDAQYCEKN-BBBLOLIVSA-N 2 0 256.325 -0.120 20 0 CBADRP [NH3+]CCC1CC(NC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC001550737206 923744355 /nfs/dbraw/zinc/74/43/55/923744355.db2.gz UFJVBICSWNWRAQ-MCIGGMRASA-N 2 0 270.377 -0.209 20 0 CBADRP [NH3+][C@@]12CC[C@@H]1CN(C(=O)NCC13CC(C1)C[NH2+]3)C2 ZINC001550743971 923744419 /nfs/dbraw/zinc/74/44/19/923744419.db2.gz NFVGOYIBFPEIMV-UTZTVMBJSA-N 2 0 250.346 -0.129 20 0 CBADRP [NH3+]C1(CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001550753076 923746380 /nfs/dbraw/zinc/74/63/80/923746380.db2.gz BDULRKOYWUCVCS-LLVKDONJSA-N 2 0 282.388 -0.064 20 0 CBADRP CN(CC[NH3+])C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550756098 923747523 /nfs/dbraw/zinc/74/75/23/923747523.db2.gz NYJLYMJXZGQWCE-LLVKDONJSA-N 2 0 270.377 -0.255 20 0 CBADRP CN(CC[NH3+])C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550756100 923747546 /nfs/dbraw/zinc/74/75/46/923747546.db2.gz NYJLYMJXZGQWCE-NSHDSACASA-N 2 0 270.377 -0.255 20 0 CBADRP O=C1CC[C@H]([NH2+]C[C@@H]2C[C@@H](F)CN2)[C@H](C2CC[NH2+]CC2)N1 ZINC001550914523 923754358 /nfs/dbraw/zinc/75/43/58/923754358.db2.gz VLDADWNKLPDPQL-OSFYFWSMSA-N 3 0 298.406 -0.077 20 0 CBADRP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001550935058 923754557 /nfs/dbraw/zinc/75/45/57/923754557.db2.gz PBVJGFGIIXVVGZ-AGIUHOORSA-N 3 0 251.374 -0.094 20 0 CBADRP [NH3+][C@@H]1c2ccccc2C[C@@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC001551392152 923774273 /nfs/dbraw/zinc/77/42/73/923774273.db2.gz LOBMXTUGOMOHOL-QWHCGFSZSA-N 2 0 296.396 -0.649 20 0 CBADRP CNC(=O)[C@]12C[N@H+](CC(C)(C)[NH3+])C[C@@H]1COCC2 ZINC001551408411 923777233 /nfs/dbraw/zinc/77/72/33/923777233.db2.gz KKBWGHYPCFPFBH-ZWNOBZJWSA-N 2 0 255.362 -0.192 20 0 CBADRP CNC(=O)[C@@]12C[N@H+](CC(C)(C)[NH3+])C[C@@H]1COCC2 ZINC001551408410 923777909 /nfs/dbraw/zinc/77/79/09/923777909.db2.gz KKBWGHYPCFPFBH-MFKMUULPSA-N 2 0 255.362 -0.192 20 0 CBADRP CNC(=O)[C@@]12C[N@@H+]([C@H]3CC[NH2+]C3)C[C@@H]1COCC2 ZINC001551414058 923779099 /nfs/dbraw/zinc/77/90/99/923779099.db2.gz XLMBYBDCBVQKKN-MDZLAQPJSA-N 2 0 253.346 -0.567 20 0 CBADRP CNC(=O)[C@@]12C[N@H+](C[C@@H]3C[NH2+]C[C@@H]3C)C[C@H]1COCC2 ZINC001551411268 923779927 /nfs/dbraw/zinc/77/99/27/923779927.db2.gz SDMHVJBUTVFFOJ-ABHRYQDASA-N 2 0 281.400 -0.074 20 0 CBADRP [NH3+][C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C12CCC2 ZINC001551462654 923794604 /nfs/dbraw/zinc/79/46/04/923794604.db2.gz DGDIUBYLLWLHHH-HGCLJGPKSA-N 2 0 265.357 -0.108 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)C[C@]2(C)C1 ZINC001551462835 923795897 /nfs/dbraw/zinc/79/58/97/923795897.db2.gz DMTDLZTXHJDSCF-MCZMQQNQSA-N 2 0 279.384 -0.084 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CC[NH2+]CCC12CCOCC2 ZINC001551463213 923796237 /nfs/dbraw/zinc/79/62/37/923796237.db2.gz NYGMALGXEFSURF-ZDUSSCGKSA-N 2 0 297.399 -0.264 20 0 CBADRP [NH3+][C@H]1C[C@@H]1C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001551464879 923796727 /nfs/dbraw/zinc/79/67/27/923796727.db2.gz ZKWPXDKIQOBPHZ-QWRGUYRKSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+]C[C@H]1C[C@@H](C(=O)N2CC[NH2+]CCC23CCOCC3)CO1 ZINC001551461400 923796750 /nfs/dbraw/zinc/79/67/50/923796750.db2.gz LMWDXYHYHWPIQT-CHWSQXEVSA-N 2 0 297.399 -0.279 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001551467376 923798457 /nfs/dbraw/zinc/79/84/57/923798457.db2.gz ZLXTWZSVOFXNFZ-RDBSUJKOSA-N 2 0 295.383 -0.515 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001551466344 923798884 /nfs/dbraw/zinc/79/88/84/923798884.db2.gz SLRDXRKOMCTKJI-VLJOUNFMSA-N 2 0 265.357 -0.426 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC12CCOCC2 ZINC001551466287 923799198 /nfs/dbraw/zinc/79/91/98/923799198.db2.gz RWSGXKZSEGOFMN-ZDEQEGDKSA-N 2 0 295.383 -0.528 20 0 CBADRP [NH3+][C@@H]1c2ccccc2C[C@@H]1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC001551502855 923800186 /nfs/dbraw/zinc/80/01/86/923800186.db2.gz IJLUBAAGXLNEQT-FPMFFAJLSA-N 2 0 290.367 -0.101 20 0 CBADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC001551502858 923800223 /nfs/dbraw/zinc/80/02/23/923800223.db2.gz IJLUBAAGXLNEQT-MRVWCRGKSA-N 2 0 290.367 -0.101 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CCO1 ZINC001551512321 923801374 /nfs/dbraw/zinc/80/13/74/923801374.db2.gz ZMXYEGJBTMSNPR-MRVWCRGKSA-N 2 0 290.367 -0.020 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)NC1CC2(C[C@@H]2[NH3+])C1 ZINC001551572229 923804568 /nfs/dbraw/zinc/80/45/68/923804568.db2.gz YTZZZJJPAVRIPA-BEVNXUHPSA-N 2 0 282.388 -0.114 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC3(C[C@H]3[NH3+])C2)[C@@H](C)C1 ZINC001551581718 923805285 /nfs/dbraw/zinc/80/52/85/923805285.db2.gz OVBSZFSFXFGJDO-TZUXDYLNSA-N 2 0 296.415 -0.037 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)C[C@@H]1C ZINC001551590974 923807146 /nfs/dbraw/zinc/80/71/46/923807146.db2.gz OCNIXVGSARQDPO-NHTUMMBNSA-N 2 0 296.415 -0.037 20 0 CBADRP [NH3+][C@@H]1CC12CC(NC(=O)N1CC[C@@H]3C[NH2+]C[C@@H]31)C2 ZINC001551618794 923807245 /nfs/dbraw/zinc/80/72/45/923807245.db2.gz YROVPXJXKOHLFL-FOOARHITSA-N 2 0 250.346 -0.131 20 0 CBADRP [NH3+][C@H]1CC12CC(NC(=O)N1CCN([C@@H]3CC[NH2+]C3)CC1)C2 ZINC001551597900 923807882 /nfs/dbraw/zinc/80/78/82/923807882.db2.gz CJORHGQYDHJTCY-ICRTXTNUSA-N 2 0 293.415 -0.445 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC001552086138 923827064 /nfs/dbraw/zinc/82/70/64/923827064.db2.gz FLVQUWLOQUEYDW-HOSYDEDBSA-N 2 0 276.344 -0.754 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C[C@H]1[NH3+] ZINC001552089317 923828209 /nfs/dbraw/zinc/82/82/09/923828209.db2.gz FFNBGRZEYFUAFQ-OPRDCNLKSA-N 2 0 264.333 -0.768 20 0 CBADRP C[NH+](C)[C@H]1CCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC001552088017 923828593 /nfs/dbraw/zinc/82/85/93/923828593.db2.gz POFCFFRYTKBMLH-QWRGUYRKSA-N 2 0 278.360 -0.411 20 0 CBADRP C[NH+](C)[C@H]1CCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC001552088016 923828705 /nfs/dbraw/zinc/82/87/05/923828705.db2.gz POFCFFRYTKBMLH-MNOVXSKESA-N 2 0 278.360 -0.411 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H](C)C[NH3+])cnn1C ZINC001552161293 923838773 /nfs/dbraw/zinc/83/87/73/923838773.db2.gz LMCRPNNGSDNVGV-XDTLVQLUSA-N 2 0 279.388 -0.257 20 0 CBADRP [NH3+]C[C@H](NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)C1CC1 ZINC001552161615 923839291 /nfs/dbraw/zinc/83/92/91/923839291.db2.gz PXKOWFOIMQWVEJ-UWVGGRQHSA-N 2 0 264.333 -0.720 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC001552161392 923840297 /nfs/dbraw/zinc/84/02/97/923840297.db2.gz NDBNOTZYGPJVCI-VXGBXAGGSA-N 2 0 290.371 -0.221 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)[C@H]1C[NH2+]C[C@H]1c1cnn(C)c1C ZINC001552163889 923841609 /nfs/dbraw/zinc/84/16/09/923841609.db2.gz KFLVVBOQPNXVEM-DRZSPHRISA-N 2 0 279.388 -0.115 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552162409 923841627 /nfs/dbraw/zinc/84/16/27/923841627.db2.gz ZEXRJHSPPXXTMK-BDAKNGLRSA-N 2 0 252.322 -0.720 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N[C@@H]2CC[NH2+]C2)cnn1C ZINC001552163447 923841769 /nfs/dbraw/zinc/84/17/69/923841769.db2.gz PWRLUENRAFGLAF-KGYLQXTDSA-N 2 0 277.372 -0.490 20 0 CBADRP O=C(NCC[C@H]1CC[NH2+]C1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552163488 923841946 /nfs/dbraw/zinc/84/19/46/923841946.db2.gz QZZDTSKCAORUKP-GHMZBOCLSA-N 2 0 278.360 -0.458 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC001552162482 923841997 /nfs/dbraw/zinc/84/19/97/923841997.db2.gz AJQIKUAEHGXPOU-NWDGAFQWSA-N 2 0 292.387 -0.116 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N[C@@H](C)C[NH3+])cnn1C ZINC001552164068 923842132 /nfs/dbraw/zinc/84/21/32/923842132.db2.gz MMHBIGNGJYSXKY-KPXOXKRLSA-N 2 0 265.361 -0.505 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC001552163247 923842165 /nfs/dbraw/zinc/84/21/65/923842165.db2.gz XDBHODSXZOKZNQ-VHSXEESVSA-N 2 0 264.333 -0.624 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552163305 923842262 /nfs/dbraw/zinc/84/22/62/923842262.db2.gz FCBOTLDSAZTGEV-XHNCKOQMSA-N 2 0 252.322 -0.722 20 0 CBADRP [NH3+]C1CCC(NC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC001552163819 923842274 /nfs/dbraw/zinc/84/22/74/923842274.db2.gz XBGHVHGUDNCARX-VQXHTEKXSA-N 2 0 278.360 -0.188 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]C1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552163002 923842296 /nfs/dbraw/zinc/84/22/96/923842296.db2.gz INKKGJAQSXFMGM-WDEREUQCSA-N 2 0 278.360 -0.458 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC001552163248 923842348 /nfs/dbraw/zinc/84/23/48/923842348.db2.gz XDBHODSXZOKZNQ-ZJUUUORDSA-N 2 0 264.333 -0.624 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@@H]2c2cnn(C)c2C)C1 ZINC001552162723 923842484 /nfs/dbraw/zinc/84/24/84/923842484.db2.gz GTLKEMHIXOPCFL-MRVWCRGKSA-N 2 0 291.399 -0.148 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001552163857 923842878 /nfs/dbraw/zinc/84/28/78/923842878.db2.gz KAQHWSQWVWYYBE-UTUOFQBUSA-N 2 0 290.371 -0.364 20 0 CBADRP [NH3+]C[C@@H]1CCCCN1C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552163350 923842960 /nfs/dbraw/zinc/84/29/60/923842960.db2.gz OOHJNKZECDNOJY-QWRGUYRKSA-N 2 0 278.360 -0.234 20 0 CBADRP O=C(c1cn([C@H]2CC[NH2+]C2)nn1)N1CCC[NH2+]CC1 ZINC001552163251 923842986 /nfs/dbraw/zinc/84/29/86/923842986.db2.gz XRYJHYJDJIXJLO-JTQLQIEISA-N 2 0 264.333 -0.752 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC001552163765 923843018 /nfs/dbraw/zinc/84/30/18/923843018.db2.gz VOMDPCWPIFMTLU-GHMZBOCLSA-N 2 0 278.360 -0.364 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]CC1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552163538 923843077 /nfs/dbraw/zinc/84/30/77/923843077.db2.gz HERHDELBQYIIPM-QWRGUYRKSA-N 2 0 278.360 -0.316 20 0 CBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552164200 923845163 /nfs/dbraw/zinc/84/51/63/923845163.db2.gz PYVLWPLCTKAUES-ZYHUDNBSSA-N 2 0 290.371 -0.316 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552195263 923847101 /nfs/dbraw/zinc/84/71/01/923847101.db2.gz YEARYXKOPORPAZ-DMDPSCGWSA-N 2 0 253.346 -0.710 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552195267 923847263 /nfs/dbraw/zinc/84/72/63/923847263.db2.gz YQCKWBJALJNERU-NQBHXWOUSA-N 2 0 253.346 -0.567 20 0 CBADRP [NH3+]C1CCC(NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552193955 923847996 /nfs/dbraw/zinc/84/79/96/923847996.db2.gz HYZPRVBHIIILSL-HHISKICNSA-N 2 0 253.346 -0.392 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552198704 923852291 /nfs/dbraw/zinc/85/22/91/923852291.db2.gz YEUTXTKKTLCCIO-OUCADQQQSA-N 2 0 267.373 -0.177 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)n1 ZINC001552200359 923854769 /nfs/dbraw/zinc/85/47/69/923854769.db2.gz ALFSNELFGPXMRA-RISCZKNCSA-N 2 0 293.371 -0.381 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CCOCC1 ZINC001552199983 923855152 /nfs/dbraw/zinc/85/51/52/923855152.db2.gz BCMPMCBBXHCJPD-SWLSCSKDSA-N 2 0 297.399 -0.551 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552199762 923855584 /nfs/dbraw/zinc/85/55/84/923855584.db2.gz DASQMPGYHLQMAI-REJLFOLJSA-N 2 0 279.384 -0.179 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552199736 923855757 /nfs/dbraw/zinc/85/57/57/923855757.db2.gz HVHSCWDJLLEJJZ-BZPMIXESSA-N 2 0 267.373 -0.320 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552199752 923855934 /nfs/dbraw/zinc/85/59/34/923855934.db2.gz IJZJZSFNFBWFBL-BHPKHCPMSA-N 2 0 279.384 -0.035 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552201995 923859411 /nfs/dbraw/zinc/85/94/11/923859411.db2.gz YZBMLYSFEJYXCR-KYEXWDHISA-N 2 0 295.383 -0.798 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552201994 923859992 /nfs/dbraw/zinc/85/99/92/923859992.db2.gz YZBMLYSFEJYXCR-BHPKHCPMSA-N 2 0 295.383 -0.798 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552200738 923860585 /nfs/dbraw/zinc/86/05/85/923860585.db2.gz VWDBVSWILWJWDD-GMXVVIOVSA-N 2 0 253.346 -0.567 20 0 CBADRP CN(C(=O)[C@@]12C[NH2+]C[C@@H]1COC2)C1CC[NH+](C)CC1 ZINC001552202560 923861967 /nfs/dbraw/zinc/86/19/67/923861967.db2.gz JSZOKNQUFMLZGH-BXUZGUMPSA-N 2 0 267.373 -0.225 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C[C@H]1C[NH3+] ZINC001552203121 923862346 /nfs/dbraw/zinc/86/23/46/923862346.db2.gz FCHBJTBYMSWAPF-BYNQJWBRSA-N 2 0 283.372 -0.955 20 0 CBADRP C[C@]1(CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CCC[NH2+]C1 ZINC001552202142 923862525 /nfs/dbraw/zinc/86/25/25/923862525.db2.gz BETIBCYMOFRUJJ-KWCYVHTRSA-N 2 0 267.373 -0.272 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552202212 923862715 /nfs/dbraw/zinc/86/27/15/923862715.db2.gz FAKYAWILTIXTLS-SRRSOLGSSA-N 2 0 253.346 -0.521 20 0 CBADRP O=C(N1CC[C@]2(CC[NH2+]C2)C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552202721 923862740 /nfs/dbraw/zinc/86/27/40/923862740.db2.gz NITADFCTKSYWMQ-KWCYVHTRSA-N 2 0 265.357 -0.566 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552203286 923865060 /nfs/dbraw/zinc/86/50/60/923865060.db2.gz ZDRJREAADICBFO-OUCADQQQSA-N 2 0 267.373 -0.190 20 0 CBADRP O=C(N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552204638 923865555 /nfs/dbraw/zinc/86/55/55/923865555.db2.gz TYYVKBYYZCTGTJ-NRWUCQMLSA-N 2 0 265.357 -0.567 20 0 CBADRP CC1(C)CN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC[NH2+]1 ZINC001552205160 923865668 /nfs/dbraw/zinc/86/56/68/923865668.db2.gz ZIPJPRXKNKNKQQ-ZWNOBZJWSA-N 2 0 253.346 -0.567 20 0 CBADRP [NH3+]CCC1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552204266 923865996 /nfs/dbraw/zinc/86/59/96/923865996.db2.gz PKKHEVJABJXSRT-TZMCWYRMSA-N 2 0 267.373 -0.190 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552204008 923866074 /nfs/dbraw/zinc/86/60/74/923866074.db2.gz MYAYBHQUXQKZGQ-HNCHTBHHSA-N 2 0 253.346 -0.534 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1c1cnn(C)c1C ZINC001552215888 923867337 /nfs/dbraw/zinc/86/73/37/923867337.db2.gz NJQCGHAPUBWCHK-TVYUQYBPSA-N 2 0 279.388 -0.244 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH2+]C[C@H]1c1cnn(C)c1C ZINC001552215890 923868073 /nfs/dbraw/zinc/86/80/73/923868073.db2.gz NJQCGHAPUBWCHK-XDTLVQLUSA-N 2 0 279.388 -0.244 20 0 CBADRP [NH3+]C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1COC2)C(F)(F)F ZINC001552210713 923868701 /nfs/dbraw/zinc/86/87/01/923868701.db2.gz JQDCWAGORPCLTD-FJXKBIBVSA-N 2 0 267.251 -0.772 20 0 CBADRP C[NH+](C)C1CC(CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552210565 923869183 /nfs/dbraw/zinc/86/91/83/923869183.db2.gz GRDSSVGHQYORKL-BOLFBJMRSA-N 2 0 267.373 -0.321 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[C@@H]1F ZINC001552218703 923870596 /nfs/dbraw/zinc/87/05/96/923870596.db2.gz WDBNYAOXEVIRAT-GUDRVLHUSA-N 2 0 257.309 -0.880 20 0 CBADRP CN(CCC[NH3+])C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552217284 923870992 /nfs/dbraw/zinc/87/09/92/923870992.db2.gz DKQILRFQYRRARC-SECBINFHSA-N 2 0 252.322 -0.767 20 0 CBADRP CCN(CC[NH3+])C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552271142 923874919 /nfs/dbraw/zinc/87/49/19/923874919.db2.gz HNOFKFJEWUHMKA-SECBINFHSA-N 2 0 252.322 -0.767 20 0 CBADRP O=C(N[C@@H]1CCCC[NH2+]CC1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552274411 923877239 /nfs/dbraw/zinc/87/72/39/923877239.db2.gz OLIPJKPINQLNTM-BZPMIXESSA-N 2 0 267.373 -0.129 20 0 CBADRP CCC1([NH3+])CCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552283907 923878914 /nfs/dbraw/zinc/87/89/14/923878914.db2.gz VIZQEWQDCMPTPA-SMDDNHRTSA-N 2 0 267.373 -0.048 20 0 CBADRP C[C@@H](NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)C1CC[NH2+]CC1 ZINC001552276041 923879041 /nfs/dbraw/zinc/87/90/41/923879041.db2.gz WCQPPFQUKIKFAU-ZYHUDNBSSA-N 2 0 292.387 -0.070 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@H]2CC[NH2+][C@H]2C)cnn1C ZINC001552277269 923879079 /nfs/dbraw/zinc/87/90/79/923879079.db2.gz XUCJYUNLOVANPJ-HBEIAFGSSA-N 2 0 291.399 -0.102 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552276065 923879231 /nfs/dbraw/zinc/87/92/31/923879231.db2.gz FXPDNQNSXOHAJY-BDAKNGLRSA-N 2 0 252.322 -0.768 20 0 CBADRP N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001552282726 923879481 /nfs/dbraw/zinc/87/94/81/923879481.db2.gz NQGDHEACEAOZAI-DDHJBXDOSA-N 2 0 252.362 -0.881 20 0 CBADRP CCN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1CC[NH2+]C1 ZINC001552283497 923880623 /nfs/dbraw/zinc/88/06/23/923880623.db2.gz GFBAWNWORWSRDF-GHMZBOCLSA-N 2 0 278.360 -0.364 20 0 CBADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N1C[C@H](N)[C@@H]([NH3+])C1 ZINC001552292300 923882336 /nfs/dbraw/zinc/88/23/36/923882336.db2.gz HIHQQEJSMBRHSX-VOAKCMCISA-N 2 0 281.404 -0.365 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001552336765 923884902 /nfs/dbraw/zinc/88/49/02/923884902.db2.gz DGMYDLIYTKXTOG-FRRDWIJNSA-N 2 0 281.404 -0.717 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001552336614 923885959 /nfs/dbraw/zinc/88/59/59/923885959.db2.gz CRMIMRVAMIIDCG-RDBSUJKOSA-N 2 0 295.431 -0.469 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001552338311 923888165 /nfs/dbraw/zinc/88/81/65/923888165.db2.gz IVLXWSIZEFFEDM-UPJWGTAASA-N 2 0 284.404 -0.009 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001552340887 923888525 /nfs/dbraw/zinc/88/85/25/923888525.db2.gz QXTBRKUPYIMVTC-WOPDTQHZSA-N 2 0 270.377 -0.399 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001552350320 923891668 /nfs/dbraw/zinc/89/16/68/923891668.db2.gz KQSLFIYVBNKNSM-WDEREUQCSA-N 2 0 270.377 -0.256 20 0 CBADRP Cc1c(C(=O)N2CCC[C@H]([NH3+])C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552417874 923895507 /nfs/dbraw/zinc/89/55/07/923895507.db2.gz INSYPCNLWNMNHN-QWRGUYRKSA-N 2 0 278.360 -0.316 20 0 CBADRP Cc1c(C(=O)NCC[C@H]2CC[NH2+]C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552419178 923895642 /nfs/dbraw/zinc/89/56/42/923895642.db2.gz MVMIRIACBPHSRG-NEPJUHHUSA-N 2 0 292.387 -0.150 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)C1 ZINC001552419223 923896085 /nfs/dbraw/zinc/89/60/85/923896085.db2.gz LKWLBLDKTSMISV-VXGBXAGGSA-N 2 0 292.387 -0.055 20 0 CBADRP Cc1c(C(=O)N2CCC[NH2+]CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552418582 923896835 /nfs/dbraw/zinc/89/68/35/923896835.db2.gz OZDMEZAIRZGLCC-NSHDSACASA-N 2 0 278.360 -0.444 20 0 CBADRP Cc1c(C(=O)NC(C)(C)C[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552419437 923896987 /nfs/dbraw/zinc/89/69/87/923896987.db2.gz WOPGXWCPAQWNQW-VIFPVBQESA-N 2 0 266.349 -0.412 20 0 CBADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CC[NH2+]CC1 ZINC001552418141 923897297 /nfs/dbraw/zinc/89/72/97/923897297.db2.gz DEQZTFAJAHFGOD-LLVKDONJSA-N 2 0 278.360 -0.362 20 0 CBADRP Cc1c(C(=O)N2CCC[C@@H]2C[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552420434 923898552 /nfs/dbraw/zinc/89/85/52/923898552.db2.gz YRXBBWQISSANSA-MNOVXSKESA-N 2 0 278.360 -0.316 20 0 CBADRP Cc1c(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552420775 923899092 /nfs/dbraw/zinc/89/90/92/923899092.db2.gz QMKCIJVPAMFTCR-USWWRNFRSA-N 2 0 292.387 -0.070 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)c1nnn([C@H]2CC[NH2+]C2)c1C ZINC001552420214 923899274 /nfs/dbraw/zinc/89/92/74/923899274.db2.gz GHQJHBSIEFZQGE-NEPJUHHUSA-N 2 0 292.387 -0.055 20 0 CBADRP Cc1c(C(=O)NC[C@@H](C)[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552436623 923903388 /nfs/dbraw/zinc/90/33/88/923903388.db2.gz BFHWMVZIMHHFTN-VXNVDRBHSA-N 2 0 252.322 -0.802 20 0 CBADRP Cc1c(C(=O)NC2(C)CC[NH2+]CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552436659 923903908 /nfs/dbraw/zinc/90/39/08/923903908.db2.gz CVQYCJHGZNOHIZ-NSHDSACASA-N 2 0 292.387 -0.007 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC[C@@H]1F ZINC001552436042 923904384 /nfs/dbraw/zinc/90/43/84/923904384.db2.gz VJFJNZXNUWSULR-INTQDDNPSA-N 2 0 281.335 -0.002 20 0 CBADRP Cc1c(C(=O)N[C@H](C)C[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552436758 923905033 /nfs/dbraw/zinc/90/50/33/923905033.db2.gz RLXYELWIOZRPMT-APPZFPTMSA-N 2 0 252.322 -0.802 20 0 CBADRP Cc1c(C(=O)N2CC[C@@H]([NH+](C)C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552437009 923905439 /nfs/dbraw/zinc/90/54/39/923905439.db2.gz LGPCRFIZBSBULR-NWDGAFQWSA-N 2 0 292.387 -0.103 20 0 CBADRP O=C(NC[C@H]1C[C@H](F)C[NH2+]1)c1cnnn1C1CC[NH2+]CC1 ZINC001552437621 923907534 /nfs/dbraw/zinc/90/75/34/923907534.db2.gz DUDHHJHYYAQMCC-VHSXEESVSA-N 2 0 296.350 -0.368 20 0 CBADRP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001552438182 923907571 /nfs/dbraw/zinc/90/75/71/923907571.db2.gz ZNLCBQZLOLYQBR-GMTAPVOTSA-N 2 0 275.356 -0.222 20 0 CBADRP C[NH2+][C@@H](C)CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001552438116 923907636 /nfs/dbraw/zinc/90/76/36/923907636.db2.gz YXRPTFFPMHLHNZ-DTWKUNHWSA-N 2 0 251.334 -0.176 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001552443117 923909705 /nfs/dbraw/zinc/90/97/05/923909705.db2.gz ZMUNGKMKIJBJLX-VHSXEESVSA-N 2 0 279.344 -0.795 20 0 CBADRP Cc1c(C(=O)N(C)[C@H]2CC[N@H+](C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552440039 923910988 /nfs/dbraw/zinc/91/09/88/923910988.db2.gz IUWUXQXLDGQXRS-RYUDHWBXSA-N 2 0 292.387 -0.103 20 0 CBADRP [NH3+][C@H]1CN(C(=O)c2cccc3c2C[NH2+]C3)C[C@@H]1n1ccnn1 ZINC001552678955 923913134 /nfs/dbraw/zinc/91/31/34/923913134.db2.gz AKIDORJUORBOMN-KBPBESRZSA-N 2 0 298.350 -0.094 20 0 CBADRP [NH3+][C@@H]1COCCN(C(=O)[C@@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001552763557 923915412 /nfs/dbraw/zinc/91/54/12/923915412.db2.gz LFKJRSHCOPMSRV-DMDPSCGWSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+][C@H]1CCCC[C@@H]1n1cc(C(=O)NCC2C[NH2+]C2)nn1 ZINC001552694514 923915596 /nfs/dbraw/zinc/91/55/96/923915596.db2.gz WKMGRZFSERFIIC-JQWIXIFHSA-N 2 0 278.360 -0.330 20 0 CBADRP C[C@H](CNC(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001552770739 923916878 /nfs/dbraw/zinc/91/68/78/923916878.db2.gz CZBQXFKLQXXYOL-KGLIPLIRSA-N 2 0 297.447 -0.032 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC001552837554 923919879 /nfs/dbraw/zinc/91/98/79/923919879.db2.gz ICNVSDQLILBLCK-RQJHMYQMSA-N 2 0 288.302 -0.173 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@]23CCC[C@@H]2[NH2+]CC3)C[C@H]1n1ccnn1 ZINC001552850786 923922306 /nfs/dbraw/zinc/92/23/06/923922306.db2.gz ISPUUTBRTBEJDA-NMKXLXIOSA-N 2 0 290.371 -0.479 20 0 CBADRP C[C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001552850086 923923056 /nfs/dbraw/zinc/92/30/56/923923056.db2.gz XENIHIYWMLJJDG-WDEREUQCSA-N 2 0 292.387 -0.131 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001552849841 923923685 /nfs/dbraw/zinc/92/36/85/923923685.db2.gz PHKSAACCNWZCDA-ZJUUUORDSA-N 2 0 279.344 -0.795 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N1CC[NH2+]CCC12CCC2 ZINC001552954282 923927341 /nfs/dbraw/zinc/92/73/41/923927341.db2.gz NADVBHPFXMAGQN-UHFFFAOYSA-N 2 0 295.431 -0.181 20 0 CBADRP [NH3+][C@H]1C[C@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC001552973597 923931859 /nfs/dbraw/zinc/93/18/59/923931859.db2.gz RDKPTSIENXTOQC-GTGGMXTKSA-N 3 0 278.400 -0.239 20 0 CBADRP [NH3+][C@@H]1COCCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC001553304321 923945927 /nfs/dbraw/zinc/94/59/27/923945927.db2.gz DONMHWMDGMWRLL-YNEHKIRRSA-N 2 0 255.362 -0.586 20 0 CBADRP C[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC(C(N)=O)C1 ZINC001553304218 923946837 /nfs/dbraw/zinc/94/68/37/923946837.db2.gz BNEGRQIUZZEHMC-YZVRNYIASA-N 2 0 267.373 -0.049 20 0 CBADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCO[C@H]2C[NH2+]C[C@@H]21 ZINC001553301504 923947214 /nfs/dbraw/zinc/94/72/14/923947214.db2.gz UINSXECSBRVXAF-XUXIUFHCSA-N 2 0 267.373 -0.572 20 0 CBADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCO[C@@H]2C[NH2+]C[C@H]21 ZINC001553301500 923947497 /nfs/dbraw/zinc/94/74/97/923947497.db2.gz UINSXECSBRVXAF-DGAVXFQQSA-N 2 0 267.373 -0.572 20 0 CBADRP C[N@@H+]1CC[C@@]2(C(=O)NC3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553345462 923948920 /nfs/dbraw/zinc/94/89/20/923948920.db2.gz WBCCSFLMWLPPEO-BXUZGUMPSA-N 3 0 266.389 -0.604 20 0 CBADRP CN1CC[C@]2(C(=O)N3CCC[C@@H]([NH3+])C3)C[NH2+]C[C@H]2C1 ZINC001553342452 923949032 /nfs/dbraw/zinc/94/90/32/923949032.db2.gz GHYRWXPECOZIAK-SCRDCRAPSA-N 3 0 266.389 -0.523 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCOC3)C1 ZINC001553345948 923949877 /nfs/dbraw/zinc/94/98/77/923949877.db2.gz YPQFXDMIEDCXBB-DMDPSCGWSA-N 2 0 253.346 -0.438 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001553345954 923951036 /nfs/dbraw/zinc/95/10/36/923951036.db2.gz YPQFXDMIEDCXBB-NQBHXWOUSA-N 2 0 253.346 -0.438 20 0 CBADRP O=C(c1csc(N2CC[NH2+]CC2)n1)N1CCC[NH2+]CC1 ZINC001553347420 923953057 /nfs/dbraw/zinc/95/30/57/923953057.db2.gz CMCYEMRUPJAMAO-UHFFFAOYSA-N 2 0 295.412 -0.012 20 0 CBADRP [NH3+]CC1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCOC3)CC1 ZINC001553347058 923953306 /nfs/dbraw/zinc/95/33/06/923953306.db2.gz AFIWAEBPPDVTMX-GXTWGEPZSA-N 2 0 267.373 -0.190 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)[C@]12C[NH2+]C[C@@H]1COCC2 ZINC001553347241 923953766 /nfs/dbraw/zinc/95/37/66/923953766.db2.gz BMVUYODELKBQEC-TZMCWYRMSA-N 2 0 267.373 -0.272 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2COCC3)C1 ZINC001553349845 923953799 /nfs/dbraw/zinc/95/37/99/923953799.db2.gz DTYUFCXFXQJSNX-OBJOEFQTSA-N 2 0 267.373 -0.190 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCOC3)C1 ZINC001553349450 923954217 /nfs/dbraw/zinc/95/42/17/923954217.db2.gz OEJBHBGVHANZAV-DMDPSCGWSA-N 2 0 253.346 -0.567 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CN(C)CC3)CC1 ZINC001553355657 923955739 /nfs/dbraw/zinc/95/57/39/923955739.db2.gz AKKJUYYCYUASSI-GDBMZVCRSA-N 2 0 294.443 -0.014 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)N[C@H]3CCC[NH2+]C3)C[NH2+]C[C@@H]2C1 ZINC001553353672 923955837 /nfs/dbraw/zinc/95/58/37/923955837.db2.gz XTTGRRWSAUFMID-DYEKYZERSA-N 3 0 266.389 -0.604 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@]12C[NH2+]C[C@H]1CCOC2 ZINC001553352058 923956669 /nfs/dbraw/zinc/95/66/69/923956669.db2.gz MVNUROVSIGFZDK-YRGRVCCFSA-N 2 0 267.373 -0.272 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)N[C@@H]3CCC[NH2+]C3)C[NH2+]C[C@H]2C1 ZINC001553353677 923957439 /nfs/dbraw/zinc/95/74/39/923957439.db2.gz XTTGRRWSAUFMID-SCRDCRAPSA-N 3 0 266.389 -0.604 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@]12CC[C@@H]1C[NH2+]C2 ZINC001553355133 923957504 /nfs/dbraw/zinc/95/75/04/923957504.db2.gz SZKSKTGTHGDSDR-YPMHNXCESA-N 2 0 252.362 -0.993 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NCC[C@@H]3CC[NH2+]C3)C[NH2+]C[C@H]2C1 ZINC001553352169 923957558 /nfs/dbraw/zinc/95/75/58/923957558.db2.gz GZAKOWSZSLAUJO-YDHLFZDLSA-N 3 0 280.416 -0.357 20 0 CBADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@]12C[NH2+]C[C@H]1CCOC2 ZINC001553355025 923958070 /nfs/dbraw/zinc/95/80/70/923958070.db2.gz MMURWWNGNRFFBO-MBNYWOFBSA-N 2 0 267.373 -0.129 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)N[C@H](C[NH3+])C3CC3)C[NH2+]C[C@H]2C1 ZINC001553355604 923958147 /nfs/dbraw/zinc/95/81/47/923958147.db2.gz BOFABLYHDGOHCC-SCRDCRAPSA-N 3 0 266.389 -0.619 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)c1csc(N2CC[NH2+]CC2)n1 ZINC001553354353 923958196 /nfs/dbraw/zinc/95/81/96/923958196.db2.gz IXFUJHWHOMYKQS-VIFPVBQESA-N 2 0 283.401 -0.028 20 0 CBADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@]12C[NH2+]C[C@@H]1CCOC2 ZINC001553355026 923958480 /nfs/dbraw/zinc/95/84/80/923958480.db2.gz MMURWWNGNRFFBO-OBJOEFQTSA-N 2 0 267.373 -0.129 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)N[C@@H]3CCC[C@H]3C[NH3+])C[NH2+]C[C@H]2C1 ZINC001553357755 923960236 /nfs/dbraw/zinc/96/02/36/923960236.db2.gz MPENAWWBHHGSBC-XPCVCDNBSA-N 3 0 280.416 -0.229 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1CC[C@@H](CN2CCOCC2)O1 ZINC001553356832 923961138 /nfs/dbraw/zinc/96/11/38/923961138.db2.gz YUTXFPOSOKVPQH-FRRDWIJNSA-N 2 0 283.372 -0.656 20 0 CBADRP CN1CCN(C(=O)[C@H]2CC23CCC([NH3+])CC3)[C@H](C[NH3+])C1 ZINC001553358421 923961213 /nfs/dbraw/zinc/96/12/13/923961213.db2.gz HMBYTORUMKKZQI-DNCHLWJUSA-N 2 0 280.416 -0.005 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@H]1CCOC2 ZINC001553357341 923961302 /nfs/dbraw/zinc/96/13/02/923961302.db2.gz LLIOSLBICJRTGM-KZVDOYCCSA-N 2 0 267.373 -0.144 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc3c(n2)C[NH2+]CC3)CCO1 ZINC001553359106 923961364 /nfs/dbraw/zinc/96/13/64/923961364.db2.gz KGYFEDTWDFRCSO-IINYFYTJSA-N 2 0 290.367 -0.085 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])C[NH2+]C[C@@H]2C1 ZINC001553357749 923962433 /nfs/dbraw/zinc/96/24/33/923962433.db2.gz MPENAWWBHHGSBC-BHPKHCPMSA-N 3 0 280.416 -0.229 20 0 CBADRP [NH3+]C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1COCC2)C1CC1 ZINC001553356064 923962867 /nfs/dbraw/zinc/96/28/67/923962867.db2.gz CSAXKFXJPVPZIT-NTZNESFSSA-N 2 0 253.346 -0.534 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1CC[C@H](CN2CCOCC2)O1 ZINC001553356835 923962883 /nfs/dbraw/zinc/96/28/83/923962883.db2.gz YUTXFPOSOKVPQH-JHJVBQTASA-N 2 0 283.372 -0.656 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)CCO1 ZINC001553360901 923963717 /nfs/dbraw/zinc/96/37/17/923963717.db2.gz WGJBDTKMQMPZEA-SRVKXCTJSA-N 2 0 283.372 -0.670 20 0 CBADRP CCCNC(=O)CNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553372478 923966001 /nfs/dbraw/zinc/96/60/01/923966001.db2.gz ADOCPAWRNQXGRK-RISCZKNCSA-N 2 0 282.388 -0.830 20 0 CBADRP Cn1ccc(NC(=O)[C@@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)n1 ZINC001553377377 923968658 /nfs/dbraw/zinc/96/86/58/923968658.db2.gz GDMIMHDJLYWFOO-GWCFXTLKSA-N 2 0 263.345 -0.100 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553400784 923971276 /nfs/dbraw/zinc/97/12/76/923971276.db2.gz AVJOFLBUQSJKFM-WHOHXGKFSA-N 2 0 253.346 -0.426 20 0 CBADRP [NH3+]C1CCC(NC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553401091 923973047 /nfs/dbraw/zinc/97/30/47/923973047.db2.gz FOWDFGMVEUHQHM-ULOBAINLSA-N 2 0 253.346 -0.108 20 0 CBADRP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553403409 923973705 /nfs/dbraw/zinc/97/37/05/923973705.db2.gz YNEHRBFMURGQOX-NKXPYPOYSA-N 2 0 265.357 -0.095 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553403246 923974090 /nfs/dbraw/zinc/97/40/90/923974090.db2.gz WUDZKZQQMUGWBE-WISYIIOYSA-N 2 0 253.346 -0.378 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553403206 923974522 /nfs/dbraw/zinc/97/45/22/923974522.db2.gz WKLACDQDMGQAPC-SRVKXCTJSA-N 2 0 253.346 -0.378 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)N[C@@H]3CCC[C@H](O)C3)C[NH2+]C[C@H]2C1 ZINC001553403060 923974692 /nfs/dbraw/zinc/97/46/92/923974692.db2.gz YOXZYMMDCOPWTD-XFMPKHEZSA-N 2 0 281.400 -0.053 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553402868 923975205 /nfs/dbraw/zinc/97/52/05/923975205.db2.gz QYFLFBZBRCUAFO-RWMBFGLXSA-N 2 0 267.373 -0.036 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553405713 923976662 /nfs/dbraw/zinc/97/66/62/923976662.db2.gz DBUYNZXHNRGQKY-KZZRWZIVSA-N 2 0 253.346 -0.299 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001553405826 923978618 /nfs/dbraw/zinc/97/86/18/923978618.db2.gz FBDKVMNXSQPPOA-GCHJQGSQSA-N 2 0 251.330 -0.816 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553407837 923980230 /nfs/dbraw/zinc/98/02/30/923980230.db2.gz HYRBDSISYHVODS-NDBYEHHHSA-N 2 0 267.373 -0.036 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553407925 923980264 /nfs/dbraw/zinc/98/02/64/923980264.db2.gz IFOBDGXBTIJTSN-BJDJZHNGSA-N 2 0 253.346 -0.284 20 0 CBADRP O=C([C@@H]1C[C@H]2OCC[C@H]2[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001553408980 923983097 /nfs/dbraw/zinc/98/30/97/923983097.db2.gz KJOIHMSVUBBBSN-RXGFPQBGSA-N 2 0 265.357 -0.141 20 0 CBADRP O=C([C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001553408978 923983532 /nfs/dbraw/zinc/98/35/32/923983532.db2.gz KJOIHMSVUBBBSN-FPYNETTCSA-N 2 0 265.357 -0.141 20 0 CBADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553409261 923983622 /nfs/dbraw/zinc/98/36/22/923983622.db2.gz MRMJQNLAEUIBIQ-VWYCJHECSA-N 2 0 255.362 -0.038 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001553409023 923983892 /nfs/dbraw/zinc/98/38/92/923983892.db2.gz KUNWICQOONOPDT-MOLYVOAJSA-N 2 0 265.357 -0.284 20 0 CBADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553409258 923984523 /nfs/dbraw/zinc/98/45/23/923984523.db2.gz MRMJQNLAEUIBIQ-GARJFASQSA-N 2 0 255.362 -0.038 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553409468 923984783 /nfs/dbraw/zinc/98/47/83/923984783.db2.gz KYFOIYLRYCXWBO-WYUUTHIRSA-N 2 0 253.346 -0.236 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553412503 923987757 /nfs/dbraw/zinc/98/77/57/923987757.db2.gz USBZTRRHLMRGME-MROQNXINSA-N 2 0 267.373 -0.036 20 0 CBADRP CC1(C)CN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC[NH2+]1 ZINC001553415665 923991009 /nfs/dbraw/zinc/99/10/09/923991009.db2.gz ZHOJNDLURUQONM-GARJFASQSA-N 2 0 253.346 -0.284 20 0 CBADRP O=C(Nc1ccn([C@@H]2CC[NH2+]C2)n1)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553414985 923991498 /nfs/dbraw/zinc/99/14/98/923991498.db2.gz XUXRIGNRXMETIC-RHYQMDGZSA-N 2 0 291.355 -0.125 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)cn1 ZINC001553421500 923993492 /nfs/dbraw/zinc/99/34/92/923993492.db2.gz JUYRISGLDPOUDZ-FRRDWIJNSA-N 2 0 293.371 -0.097 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C[C@@H]1C[NH3+] ZINC001553425744 923993787 /nfs/dbraw/zinc/99/37/87/923993787.db2.gz TYNYRDUMCHKOSH-PJSNJIKXSA-N 2 0 283.372 -0.672 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C[C@@H]1C[NH3+] ZINC001553425731 923994096 /nfs/dbraw/zinc/99/40/96/923994096.db2.gz TYNYRDUMCHKOSH-FPYNETTCSA-N 2 0 283.372 -0.672 20 0 CBADRP [NH3+]CCC1CC(NC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553430014 923996824 /nfs/dbraw/zinc/99/68/24/923996824.db2.gz SODSZXQKABSYTM-VJROTNAKSA-N 2 0 253.346 -0.251 20 0 CBADRP O=C(Nc1n[nH]c2c1C[NH2+]C2)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553427235 923996941 /nfs/dbraw/zinc/99/69/41/923996941.db2.gz HDYXMCWTAIWOOR-KHQFGBGNSA-N 2 0 263.301 -0.529 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C[C@@H]1C(F)(F)F ZINC001553431067 923997972 /nfs/dbraw/zinc/99/79/72/923997972.db2.gz OMXNFYUAUQUXNB-MBXMOIHESA-N 2 0 293.289 -0.146 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553437626 923998024 /nfs/dbraw/zinc/99/80/24/923998024.db2.gz YXAJHMNFBHMMGM-NAKRPEOUSA-N 2 0 253.346 -0.380 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553437622 923999417 /nfs/dbraw/zinc/99/94/17/923999417.db2.gz YXAJHMNFBHMMGM-MMWGEVLESA-N 2 0 253.346 -0.380 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001553448111 924000916 /nfs/dbraw/zinc/00/09/16/924000916.db2.gz LPYTZUGGBNUXPN-UMVBOHGHSA-N 2 0 295.431 -0.245 20 0 CBADRP [NH3+][C@]12CC[C@@H]1CN(C(=O)NC[C@H]1C[N@@H+]3CCC[C@@H]3CO1)C2 ZINC001553447675 924001953 /nfs/dbraw/zinc/00/19/53/924001953.db2.gz VRDQQFLBLQTPCH-CXTNEJHOSA-N 2 0 294.399 -0.018 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001553446852 924002112 /nfs/dbraw/zinc/00/21/12/924002112.db2.gz DWENTGSMKVTKJY-SCRDCRAPSA-N 2 0 281.404 -0.635 20 0 CBADRP [NH3+]C1(CNC(=O)N[C@@H]2C[NH2+]CC23CCOCC3)CCC1 ZINC001553493610 924009624 /nfs/dbraw/zinc/00/96/24/924009624.db2.gz CLLGCVZNUDBNQZ-LLVKDONJSA-N 2 0 282.388 -0.064 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NC2CC[NH2+]CC2)CC12CCOCC2 ZINC001553494285 924011036 /nfs/dbraw/zinc/01/10/36/924011036.db2.gz YQKSZMYQDGAOCT-GFCCVEGCSA-N 2 0 282.388 -0.112 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553497328 924011933 /nfs/dbraw/zinc/01/19/33/924011933.db2.gz OZPDDRCLLXJPHE-VHSXEESVSA-N 2 0 256.350 -0.599 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC12CCC2 ZINC001553500955 924012050 /nfs/dbraw/zinc/01/20/50/924012050.db2.gz DWOHQBBVOBWRFF-WDEREUQCSA-N 2 0 268.361 -0.502 20 0 CBADRP [NH3+]C[C@@H]1[C@H]2CN(C(=O)N[C@H]3CCC[C@H]3C[NH3+])C[C@H]21 ZINC001553498870 924012079 /nfs/dbraw/zinc/01/20/79/924012079.db2.gz QSTAPUXMAJJLQC-NGDQXYMTSA-N 2 0 252.362 -0.040 20 0 CBADRP C[NH2+]CCNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553497553 924012519 /nfs/dbraw/zinc/01/25/19/924012519.db2.gz SIGLENAADIHFRE-SNVBAGLBSA-N 2 0 256.350 -0.726 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553499314 924012889 /nfs/dbraw/zinc/01/28/89/924012889.db2.gz ARHHYAKRLKFMNE-GHMZBOCLSA-N 2 0 270.377 -0.127 20 0 CBADRP O=C(N[C@H]1C[NH2+]CC12CCOCC2)N[C@@H]1CCC[NH2+]C1 ZINC001553496521 924013445 /nfs/dbraw/zinc/01/34/45/924013445.db2.gz LRIJFXMBIPFUHM-NEPJUHHUSA-N 2 0 282.388 -0.194 20 0 CBADRP C[C@H](C[NH3+])NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553497927 924014129 /nfs/dbraw/zinc/01/41/29/924014129.db2.gz RAMUJKXGEDHQQN-IJLUTSLNSA-N 2 0 270.377 -0.426 20 0 CBADRP [NH3+][C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)C1CC1 ZINC001553497442 924014695 /nfs/dbraw/zinc/01/46/95/924014695.db2.gz PUUQNUWJTDJNMK-MGPQQGTHSA-N 2 0 296.415 -0.036 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@H]2CC[NH2+]C[C@H]2C1 ZINC001553503239 924015283 /nfs/dbraw/zinc/01/52/83/924015283.db2.gz JUZHYTFWKKPHMC-GRYCIOLGSA-N 2 0 252.362 -0.011 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553501935 924015713 /nfs/dbraw/zinc/01/57/13/924015713.db2.gz IUTDGPVLTUJNCG-VXGBXAGGSA-N 2 0 298.387 -0.957 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC001553502028 924016529 /nfs/dbraw/zinc/01/65/29/924016529.db2.gz JJEBIGFWYKANAL-AVGNSLFASA-N 2 0 282.388 -0.242 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@H]2CC[NH2+]C[C@@H]2C1 ZINC001553512968 924019022 /nfs/dbraw/zinc/01/90/22/924019022.db2.gz FZGHGPZVNJLIML-JHJVBQTASA-N 2 0 282.388 -0.384 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CC12CCOCC2 ZINC001553511009 924019366 /nfs/dbraw/zinc/01/93/66/924019366.db2.gz VGEPFKNGMZBPNM-GHMZBOCLSA-N 2 0 268.361 -0.502 20 0 CBADRP [NH3+]C1CC(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC001553513000 924019495 /nfs/dbraw/zinc/01/94/95/924019495.db2.gz KTQXBTRUCFIQBM-CLRIEMFWSA-N 2 0 296.415 -0.036 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001553515215 924020370 /nfs/dbraw/zinc/02/03/70/924020370.db2.gz KCHXTZDFDOOTJO-KKJSVHSVSA-N 2 0 252.362 -0.027 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2CCC[NH2+]2)CC12CCOCC2 ZINC001553511136 924020389 /nfs/dbraw/zinc/02/03/89/924020389.db2.gz VXIZLIMDAGWAAL-NWDGAFQWSA-N 2 0 282.388 -0.112 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553509086 924020565 /nfs/dbraw/zinc/02/05/65/924020565.db2.gz RYEKAVQNQWLGLQ-NEPJUHHUSA-N 2 0 282.388 -0.194 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553524398 924022104 /nfs/dbraw/zinc/02/21/04/924022104.db2.gz DZOPUMCAGZHYQS-UTUOFQBUSA-N 2 0 282.388 -0.256 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553517616 924022137 /nfs/dbraw/zinc/02/21/37/924022137.db2.gz MMNXDVNNEQHWGZ-FQUUOJAGSA-N 2 0 296.415 -0.023 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)CC12CCOCC2 ZINC001553517479 924023106 /nfs/dbraw/zinc/02/31/06/924023106.db2.gz SUSAMAHBMFQFES-NWDGAFQWSA-N 2 0 298.387 -0.876 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)CC12CCOCC2 ZINC001553517482 924023203 /nfs/dbraw/zinc/02/32/03/924023203.db2.gz SUSAMAHBMFQFES-VXGBXAGGSA-N 2 0 298.387 -0.876 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1 ZINC001553517622 924024036 /nfs/dbraw/zinc/02/40/36/924024036.db2.gz MNYXINAEAVJBAU-USZNOCQGSA-N 2 0 292.387 -0.393 20 0 CBADRP [NH3+]CC1(CNC(=O)N[C@H]2C[NH2+]CC23CCOCC3)CC1 ZINC001553533642 924024937 /nfs/dbraw/zinc/02/49/37/924024937.db2.gz ULGMPCUQGZALAO-NSHDSACASA-N 2 0 282.388 -0.207 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC001553530018 924026113 /nfs/dbraw/zinc/02/61/13/924026113.db2.gz QBKYAYDXXYCBAQ-IUODEOHRSA-N 2 0 295.431 -0.149 20 0 CBADRP N[C@@H]1CN(C(=O)N2CC[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@H]1[NH3+] ZINC001553532140 924026858 /nfs/dbraw/zinc/02/68/58/924026858.db2.gz UQHCAUYDIOBIPE-IRCOFANPSA-N 2 0 267.377 -0.992 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC001553530015 924027004 /nfs/dbraw/zinc/02/70/04/924027004.db2.gz QBKYAYDXXYCBAQ-DOMZBBRYSA-N 2 0 295.431 -0.149 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001553544635 924028134 /nfs/dbraw/zinc/02/81/34/924028134.db2.gz QTVINBQBOURMSQ-XNDJQWLSSA-N 2 0 256.325 -0.120 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC001553545383 924028370 /nfs/dbraw/zinc/02/83/70/924028370.db2.gz SGZWYCHGUZHNQY-DTHBNOIPSA-N 2 0 256.325 -0.262 20 0 CBADRP [NH3+]CC1CC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC001553537181 924028409 /nfs/dbraw/zinc/02/84/09/924028409.db2.gz FUGUJBNRVSXLLO-PQAZSJQKSA-N 2 0 296.415 -0.036 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2C[NH2+]C[C@@H]2F)CC12CCOCC2 ZINC001553548493 924029332 /nfs/dbraw/zinc/02/93/32/924029332.db2.gz YQVMQBXFYDHLBF-HBNTYKKESA-N 2 0 286.351 -0.554 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001553632017 924032475 /nfs/dbraw/zinc/03/24/75/924032475.db2.gz BGJZVMYPDKTQEQ-CQSZACIVSA-N 2 0 280.416 -0.310 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000337413043 214066108 /nfs/dbraw/zinc/06/61/08/214066108.db2.gz ODIBBGVFLHVPFS-AAEUAGOBSA-N 2 0 272.393 -0.308 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC(C)(C)C[NH3+])CC1=O ZINC000262520743 282102265 /nfs/dbraw/zinc/10/22/65/282102265.db2.gz WGUNIDWFZMMVRE-JTQLQIEISA-N 2 0 270.377 -0.750 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCC[N@H+](C)C1CC1 ZINC000337724691 214235947 /nfs/dbraw/zinc/23/59/47/214235947.db2.gz LIVCPOWSGORUCJ-ZDUSSCGKSA-N 2 0 272.393 -0.308 20 0 CBADRP C[N@@H+]1CCCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000125300791 187178078 /nfs/dbraw/zinc/17/80/78/187178078.db2.gz YYSYNANOIXUOCM-LBPRGKRZSA-N 2 0 255.362 -0.081 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]21 ZINC000125413580 187183811 /nfs/dbraw/zinc/18/38/11/187183811.db2.gz KGDFGEQGPIRMFC-GARJFASQSA-N 2 0 266.345 -0.403 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CCCC1 ZINC000125654159 187195075 /nfs/dbraw/zinc/19/50/75/187195075.db2.gz LYCOMCVEGBRJMQ-QWRGUYRKSA-N 2 0 255.362 -0.300 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)CNC(=O)C[NH3+])c1ccccc1 ZINC000040802798 282171205 /nfs/dbraw/zinc/17/12/05/282171205.db2.gz MJTBILSTYMAKMO-LBPRGKRZSA-N 2 0 278.356 -0.520 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000423235468 282182812 /nfs/dbraw/zinc/18/28/12/282182812.db2.gz NBWJNCJOOYGQMM-NWDGAFQWSA-N 2 0 282.388 -0.511 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000262487902 282194379 /nfs/dbraw/zinc/19/43/79/282194379.db2.gz YWEDQWQBSFOTBP-IRCOFANPSA-N 2 0 255.362 -0.302 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000126162547 187222184 /nfs/dbraw/zinc/22/21/84/187222184.db2.gz CLUWKYULPZLMJA-PWSUYJOCSA-N 2 0 270.377 -0.846 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000126190170 187222921 /nfs/dbraw/zinc/22/29/21/187222921.db2.gz DYXTVBQIIZNTNQ-AWEZNQCLSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)C[C@H](C)[NH2+]1 ZINC000423221389 290663714 /nfs/dbraw/zinc/66/37/14/290663714.db2.gz ZSHVZUCSJCGKQE-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000126410068 187237528 /nfs/dbraw/zinc/23/75/28/187237528.db2.gz NRVRLNFGLPHSTO-AAEUAGOBSA-N 2 0 284.404 -0.362 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000573442401 334937868 /nfs/dbraw/zinc/93/78/68/334937868.db2.gz ZLDSMICMXSREEJ-MNOVXSKESA-N 2 0 271.361 -0.181 20 0 CBADRP C[NH+]1CCN(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000377074381 529771374 /nfs/dbraw/zinc/77/13/74/529771374.db2.gz SSOLKAUOKFPBBX-UHFFFAOYSA-N 2 0 280.416 -0.022 20 0 CBADRP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351472536 219098530 /nfs/dbraw/zinc/09/85/30/219098530.db2.gz AZYYYOCPVWFPGH-TUAOUCFPSA-N 2 0 275.418 -0.063 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC[NH+]1CCCC1 ZINC000351517809 219113046 /nfs/dbraw/zinc/11/30/46/219113046.db2.gz AVZXKOVFPSDQPX-LLVKDONJSA-N 2 0 268.361 -0.933 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000351516534 219113333 /nfs/dbraw/zinc/11/33/33/219113333.db2.gz GHDQHTHIOBVDHA-NEPJUHHUSA-N 2 0 280.372 -0.839 20 0 CBADRP CCCN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000351519314 219113467 /nfs/dbraw/zinc/11/34/67/219113467.db2.gz DZNCQYULULBMNY-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000351532363 219117802 /nfs/dbraw/zinc/11/78/02/219117802.db2.gz GJOYEDRBTFSWOQ-OLZOCXBDSA-N 2 0 296.415 -0.297 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000573556500 334946716 /nfs/dbraw/zinc/94/67/16/334946716.db2.gz PDMRGAWQEJQPFG-MNOVXSKESA-N 2 0 255.362 -0.131 20 0 CBADRP CC[NH+]1CCC(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351552443 219123663 /nfs/dbraw/zinc/12/36/63/219123663.db2.gz AOKAJTJHJPDHDH-GFCCVEGCSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351553220 219124652 /nfs/dbraw/zinc/12/46/52/219124652.db2.gz AAEUPWOQJYWWDZ-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351560322 219126555 /nfs/dbraw/zinc/12/65/55/219126555.db2.gz RKERPFSGBFQHNF-RYUDHWBXSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000351556823 219125630 /nfs/dbraw/zinc/12/56/30/219125630.db2.gz HNAWCGKZSBPABA-GRYCIOLGSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H]1C[C@H](N(C)C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000351560098 219126743 /nfs/dbraw/zinc/12/67/43/219126743.db2.gz WBWGTAAUUJRXPC-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](C2CCC2)CC1 ZINC000351561148 219127039 /nfs/dbraw/zinc/12/70/39/219127039.db2.gz XXSCQHMNOHYIOO-CYBMUJFWSA-N 2 0 294.399 -0.449 20 0 CBADRP C[C@@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[C@H](C)[NH3+] ZINC000377530695 295735934 /nfs/dbraw/zinc/73/59/34/295735934.db2.gz QLIBJYAZSGILOL-WOPDTQHZSA-N 2 0 254.378 -0.524 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)C(C)C)C1 ZINC000423519156 290805245 /nfs/dbraw/zinc/80/52/45/290805245.db2.gz VGHLSIYXCMZMSO-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCc1ccc(NC(=O)CNC(=O)C[NH3+])cc1 ZINC000274458767 352538709 /nfs/dbraw/zinc/53/87/09/352538709.db2.gz URBBOXCFEKPKGW-UHFFFAOYSA-N 2 0 278.356 -0.196 20 0 CBADRP CCC(CC)(C[NH3+])NC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000351994421 219281850 /nfs/dbraw/zinc/28/18/50/219281850.db2.gz MTXNSJYOMMPGSK-LLVKDONJSA-N 2 0 272.393 -0.280 20 0 CBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000352003313 219283634 /nfs/dbraw/zinc/28/36/34/219283634.db2.gz LCFQWBFGBLVEKW-YPMHNXCESA-N 2 0 286.420 -0.082 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000339580659 215256176 /nfs/dbraw/zinc/25/61/76/215256176.db2.gz IZUZTHIQEFRYIJ-LBPRGKRZSA-N 2 0 286.420 -0.099 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000339667310 215287914 /nfs/dbraw/zinc/28/79/14/215287914.db2.gz ILNKSYPRLCUDLR-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091299138 180125909 /nfs/dbraw/zinc/12/59/09/180125909.db2.gz UFGKYXCJHXBKBX-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000352095853 219318269 /nfs/dbraw/zinc/31/82/69/219318269.db2.gz BQYQGGGAOCEKIN-CYBMUJFWSA-N 2 0 286.420 -0.066 20 0 CBADRP Cn1ncnc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000133134430 282715215 /nfs/dbraw/zinc/71/52/15/282715215.db2.gz MVBDHEKTGYMGNN-UHFFFAOYSA-N 2 0 283.380 -0.228 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424239962 293514108 /nfs/dbraw/zinc/51/41/08/293514108.db2.gz OUMDSYHTORKWSD-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP C[N@H+](CCCNC(=O)CNC(=O)C[NH3+])Cc1ccccc1 ZINC000037622998 351400101 /nfs/dbraw/zinc/40/01/01/351400101.db2.gz HKQCVMNPKGFAHZ-UHFFFAOYSA-N 2 0 292.383 -0.300 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000037760047 351402350 /nfs/dbraw/zinc/40/23/50/351402350.db2.gz KRDDIXRTXKJBJT-HNNXBMFYSA-N 2 0 290.411 -0.080 20 0 CBADRP CC(C)[NH2+]CCC(=O)NCCN1CC[NH+](C)CC1 ZINC000037760082 351402379 /nfs/dbraw/zinc/40/23/79/351402379.db2.gz PFNLJTASWUCCNS-UHFFFAOYSA-N 2 0 256.394 -0.262 20 0 CBADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCN1CC[NH+](C)CC1 ZINC000037760051 351403158 /nfs/dbraw/zinc/40/31/58/351403158.db2.gz DOPAVBPSIPCCDK-NWDGAFQWSA-N 2 0 256.394 -0.277 20 0 CBADRP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCN1CC[NH2+]CC1 ZINC000043499911 351441362 /nfs/dbraw/zinc/44/13/62/351441362.db2.gz KSRRKJMPEUUEGB-NWDGAFQWSA-N 2 0 254.378 -0.523 20 0 CBADRP CC[NH+]1CCC(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000044526760 351445395 /nfs/dbraw/zinc/44/53/95/351445395.db2.gz WKVOVMJITASKGW-NWDGAFQWSA-N 2 0 255.362 -0.443 20 0 CBADRP CC(C)C[C@H](CNC(=O)CNC(=O)C[NH3+])[NH+](C)C ZINC000040831368 351418729 /nfs/dbraw/zinc/41/87/29/351418729.db2.gz YUJTYPYBIHMJJA-SNVBAGLBSA-N 2 0 258.366 -0.846 20 0 CBADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000049557256 351494865 /nfs/dbraw/zinc/49/48/65/351494865.db2.gz UFADBTMQKHIKOR-OLZOCXBDSA-N 2 0 259.394 -0.391 20 0 CBADRP CCN(CC)C(=O)C[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298836 351526635 /nfs/dbraw/zinc/52/66/35/351526635.db2.gz ZBTYABLDZSKUBX-UHFFFAOYSA-N 2 0 284.404 -0.392 20 0 CBADRP O=C(CC[NH+]1CCN(C2CC2)CC1)N1CC[NH2+]CC1 ZINC000053298788 351526779 /nfs/dbraw/zinc/52/67/79/351526779.db2.gz XDHDGAJWPXGFLR-UHFFFAOYSA-N 2 0 266.389 -0.412 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055085692 351540808 /nfs/dbraw/zinc/54/08/08/351540808.db2.gz GCWCQCHPCFSUAT-OLZOCXBDSA-N 2 0 268.405 -0.133 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[NH2+]CCO1)C[NH+]1CCCC1 ZINC000062076408 351573810 /nfs/dbraw/zinc/57/38/10/351573810.db2.gz ARNOCFMYHIMTDS-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000062894010 351577153 /nfs/dbraw/zinc/57/71/53/351577153.db2.gz CHWSLNIKHXDBJU-CYBMUJFWSA-N 2 0 254.378 -0.650 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000063179607 351580723 /nfs/dbraw/zinc/58/07/23/351580723.db2.gz WCGRJMWFPSWPDN-CYBMUJFWSA-N 2 0 296.415 -0.214 20 0 CBADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180331 351580749 /nfs/dbraw/zinc/58/07/49/351580749.db2.gz FFUNUVBLCCJMAZ-QWRGUYRKSA-N 2 0 270.377 -0.750 20 0 CBADRP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000070188590 351636826 /nfs/dbraw/zinc/63/68/26/351636826.db2.gz HRGIGNZSMWLJLY-SECBINFHSA-N 2 0 256.350 -0.109 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC[N@H+](C)C2CC2)CC1=O ZINC000074229119 351658924 /nfs/dbraw/zinc/65/89/24/351658924.db2.gz SKEXOEWGGSDTLG-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000068807837 351622641 /nfs/dbraw/zinc/62/26/41/351622641.db2.gz YYEKGFDHKNOFEC-NWDGAFQWSA-N 2 0 256.394 -0.278 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000079519542 351692994 /nfs/dbraw/zinc/69/29/94/351692994.db2.gz TVTQCFNPZCPJNX-AWEZNQCLSA-N 2 0 268.405 -0.118 20 0 CBADRP C[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000091311239 351743859 /nfs/dbraw/zinc/74/38/59/351743859.db2.gz WQWKYKUUBAFXGT-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1CCC[NH2+]1 ZINC000091668309 351745580 /nfs/dbraw/zinc/74/55/80/351745580.db2.gz PZKHANZTGZKQJC-UTUOFQBUSA-N 2 0 253.346 -0.282 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CCC[NH2+]C1 ZINC000091668070 351745735 /nfs/dbraw/zinc/74/57/35/351745735.db2.gz LITFGCKVBFJIQI-YNEHKIRRSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000092953287 351754992 /nfs/dbraw/zinc/75/49/92/351754992.db2.gz MMEHURCXMASEOJ-NEPJUHHUSA-N 2 0 254.378 -0.652 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000094648501 351764020 /nfs/dbraw/zinc/76/40/20/351764020.db2.gz RIQXKSFLRDPSNG-XQQFMLRXSA-N 2 0 268.405 -0.264 20 0 CBADRP CC[C@]1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC[NH2+]C1 ZINC000119223710 351831864 /nfs/dbraw/zinc/83/18/64/351831864.db2.gz LEYXJXUNXXQBQJ-DOMZBBRYSA-N 2 0 296.415 -0.310 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCCS(C)(=O)=O ZINC000119678019 351834650 /nfs/dbraw/zinc/83/46/50/351834650.db2.gz FJOBWBPTIPXPKW-UHFFFAOYSA-N 2 0 291.461 -0.010 20 0 CBADRP CN(CC[N@H+](C)CCOCCO)C1CC[NH+](C)CC1 ZINC000119719689 351835951 /nfs/dbraw/zinc/83/59/51/351835951.db2.gz KXWGYRNLQIXSPX-UHFFFAOYSA-N 2 0 273.421 -0.047 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000114073024 351814810 /nfs/dbraw/zinc/81/48/10/351814810.db2.gz CHJZPWICULHFOH-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000114073105 351814966 /nfs/dbraw/zinc/81/49/66/351814966.db2.gz OFMPIJONGPNXMS-LBPRGKRZSA-N 2 0 254.378 -0.556 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000114384916 351817393 /nfs/dbraw/zinc/81/73/93/351817393.db2.gz JUGXWFRGKCMQFB-STQMWFEESA-N 2 0 268.405 -0.167 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)C(C)(C)C[NH3+])CC1 ZINC000123102605 187071625 /nfs/dbraw/zinc/07/16/25/187071625.db2.gz PHQHZWLXAXQCOY-UHFFFAOYSA-N 2 0 256.394 -0.275 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000126231822 351859443 /nfs/dbraw/zinc/85/94/43/351859443.db2.gz JGMPQSXFLLZTFA-OCCSQVGLSA-N 2 0 298.431 -0.068 20 0 CBADRP O=C1CCN(C/C=C/C[N@@H+]2CCNC(=O)CC2)CCN1 ZINC000126158195 351859852 /nfs/dbraw/zinc/85/98/52/351859852.db2.gz WLBCRULDCJNHDA-OWOJBTEDSA-N 2 0 280.372 -0.814 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000126485510 351860399 /nfs/dbraw/zinc/86/03/99/351860399.db2.gz HUMBXNOPDKGEKF-OLZOCXBDSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000126485939 351860844 /nfs/dbraw/zinc/86/08/44/351860844.db2.gz HUMBXNOPDKGEKF-CHWSQXEVSA-N 2 0 268.405 -0.262 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NCC[NH+]1CCCCC1 ZINC000129143630 351869030 /nfs/dbraw/zinc/86/90/30/351869030.db2.gz ODQMVZCTTNUPMX-GFCCVEGCSA-N 2 0 255.362 -0.033 20 0 CBADRP C[C@@H]1C[C@@H](N(C)CC(=O)N2CCNC(=O)C2)CC[N@@H+]1C ZINC000123837555 187110763 /nfs/dbraw/zinc/11/07/63/187110763.db2.gz XIOAMPSUSGEERT-NEPJUHHUSA-N 2 0 282.388 -0.641 20 0 CBADRP C[N@H+](CCNC(=O)CNC(=O)C[NH3+])Cc1ccccc1 ZINC000144181101 351926654 /nfs/dbraw/zinc/92/66/54/351926654.db2.gz LZZIZLIYYYAEAW-UHFFFAOYSA-N 2 0 278.356 -0.691 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000131753517 351888493 /nfs/dbraw/zinc/88/84/93/351888493.db2.gz ACCVYUOSMVSHNV-QWRGUYRKSA-N 2 0 268.361 -0.948 20 0 CBADRP [NH3+]CC(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC000166199648 351986459 /nfs/dbraw/zinc/98/64/59/351986459.db2.gz BODQIVYJMZZJOQ-UHFFFAOYSA-N 2 0 293.367 -0.028 20 0 CBADRP CCC[N@@H+]1CCCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000166586102 351987974 /nfs/dbraw/zinc/98/79/74/351987974.db2.gz HPYBTGLSNBJAAK-NWDGAFQWSA-N 2 0 255.362 -0.347 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000167404614 351989617 /nfs/dbraw/zinc/98/96/17/351989617.db2.gz AWIKAEDTWUDDCG-LLVKDONJSA-N 2 0 270.377 -0.654 20 0 CBADRP CN1CCO[C@H](C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000174700478 352050110 /nfs/dbraw/zinc/05/01/10/352050110.db2.gz ZLPGFUFGRXXJNJ-ZDUSSCGKSA-N 2 0 267.373 -0.129 20 0 CBADRP CC[N@H+](C)CCNC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000171726501 352015464 /nfs/dbraw/zinc/01/54/64/352015464.db2.gz ZYYACYDWNCIPNP-CYBMUJFWSA-N 2 0 285.436 -0.127 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN([C@@H]2CCNC2=O)CC1 ZINC000178201151 352077490 /nfs/dbraw/zinc/07/74/90/352077490.db2.gz QLBSIMUOBZSIIG-ZIAGYGMSSA-N 2 0 280.416 -0.023 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747819 352082630 /nfs/dbraw/zinc/08/26/30/352082630.db2.gz GAPCDJKEUMHOBI-LBPRGKRZSA-N 2 0 253.346 -0.329 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2CCC[NH2+]2)CC1=O ZINC000178753959 352083917 /nfs/dbraw/zinc/08/39/17/352083917.db2.gz ZUIMQQYGEPWEBZ-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP [NH3+]CCCC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178844945 352084428 /nfs/dbraw/zinc/08/44/28/352084428.db2.gz QHXUVLGEVZRLLP-LBPRGKRZSA-N 2 0 255.362 -0.094 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C[NH2+]CCOC)CC1 ZINC000178874175 352084592 /nfs/dbraw/zinc/08/45/92/352084592.db2.gz XUXYJBWJAVEDQE-ZDUSSCGKSA-N 2 0 286.420 -0.635 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000178881676 352084842 /nfs/dbraw/zinc/08/48/42/352084842.db2.gz YRLLPXRHYNUMLT-STQMWFEESA-N 2 0 268.405 -0.262 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178844934 352084974 /nfs/dbraw/zinc/08/49/74/352084974.db2.gz JIGSAUDTHVGGLM-CYBMUJFWSA-N 2 0 285.388 -0.597 20 0 CBADRP O=C1C[C@@H]([NH2+][C@@H]2CCOC2)CN1CCN1CCOCC1 ZINC000178907238 352085453 /nfs/dbraw/zinc/08/54/53/352085453.db2.gz JZRZQFKOIPHHTI-CHWSQXEVSA-N 2 0 283.372 -0.702 20 0 CBADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H](C)[NH3+])CC2)C1 ZINC000178885353 352085981 /nfs/dbraw/zinc/08/59/81/352085981.db2.gz GJXXJFRDJGHJCD-KBPBESRZSA-N 2 0 298.431 -0.413 20 0 CBADRP C[C@@H](O)CCN(C)CC(O)C[N@H+](C)CC[C@@H](C)O ZINC000181801049 352100928 /nfs/dbraw/zinc/10/09/28/352100928.db2.gz OIYFBXKVYGPGBN-VXGBXAGGSA-N 2 0 262.394 -0.247 20 0 CBADRP OC[C@H]1CCCN(CC(O)C[N@@H+]2CCC[C@H](CO)C2)C1 ZINC000181774540 352101452 /nfs/dbraw/zinc/10/14/52/352101452.db2.gz CUORCZQUUMYSNR-KBPBESRZSA-N 2 0 286.416 -0.244 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCNC1=O ZINC000182959896 352106477 /nfs/dbraw/zinc/10/64/77/352106477.db2.gz NWVWTQWIGBSMGQ-UHFFFAOYSA-N 2 0 297.403 -0.893 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188736183 352157578 /nfs/dbraw/zinc/15/75/78/352157578.db2.gz RBJZIQRTEIBXEC-SECBINFHSA-N 2 0 263.345 -0.121 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000192109260 352196103 /nfs/dbraw/zinc/19/61/03/352196103.db2.gz PMMGSIIXIBVVDX-OLZOCXBDSA-N 2 0 298.431 -0.018 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188037694 352146181 /nfs/dbraw/zinc/14/61/81/352146181.db2.gz FKLLQZSSEGHXMB-CHWSQXEVSA-N 2 0 285.388 -0.552 20 0 CBADRP C[C@H]1C[C@H](N(C)C(=O)[C@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000188235023 352149863 /nfs/dbraw/zinc/14/98/63/352149863.db2.gz OSZVBGURYGBIQJ-QJPTWQEYSA-N 2 0 255.362 -0.084 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000219036551 352236865 /nfs/dbraw/zinc/23/68/65/352236865.db2.gz MVVNNVWHWDWDTF-MFKMUULPSA-N 2 0 284.404 -0.315 20 0 CBADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000219312055 352237039 /nfs/dbraw/zinc/23/70/39/352237039.db2.gz WPQUOBFIZGQASJ-NSHDSACASA-N 2 0 264.391 -0.269 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000193669080 352208573 /nfs/dbraw/zinc/20/85/73/352208573.db2.gz RWJMLHAOIKMSRJ-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[NH+]1CCC([NH2+]CCCNS(C)(=O)=O)CC1 ZINC000221867158 352240819 /nfs/dbraw/zinc/24/08/19/352240819.db2.gz RPCGXMYNYCDMRP-UHFFFAOYSA-N 2 0 263.407 0.000 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000227392831 352258150 /nfs/dbraw/zinc/25/81/50/352258150.db2.gz ULQBURJLSDKKHO-QJPTWQEYSA-N 2 0 255.362 -0.097 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC000228474482 352261882 /nfs/dbraw/zinc/26/18/82/352261882.db2.gz VFIKDHMYUKCGPI-JHJVBQTASA-N 2 0 267.373 -0.096 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC000228474498 352261933 /nfs/dbraw/zinc/26/19/33/352261933.db2.gz VFIKDHMYUKCGPI-YNEHKIRRSA-N 2 0 267.373 -0.096 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000225355824 352246979 /nfs/dbraw/zinc/24/69/79/352246979.db2.gz LWLLWZZWHIEUTI-GJZGRUSLSA-N 2 0 290.411 -0.082 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000232114756 352279013 /nfs/dbraw/zinc/27/90/13/352279013.db2.gz LPMWBSBNJMJRHV-ZYHUDNBSSA-N 2 0 255.362 -0.049 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCOCC[NH+](C)C)C1 ZINC000234824816 352285154 /nfs/dbraw/zinc/28/51/54/352285154.db2.gz MBFANAQWVNJPPS-WDEREUQCSA-N 2 0 259.350 -0.942 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000236782156 352294418 /nfs/dbraw/zinc/29/44/18/352294418.db2.gz FKLLQZSSEGHXMB-OLZOCXBDSA-N 2 0 285.388 -0.552 20 0 CBADRP CC(C)([NH3+])C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000236779668 352294437 /nfs/dbraw/zinc/29/44/37/352294437.db2.gz WLNSOUMNTGMMQY-LLVKDONJSA-N 2 0 255.362 -0.096 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000236874886 352294978 /nfs/dbraw/zinc/29/49/78/352294978.db2.gz KGCQUUHVGOLQCU-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000236837884 352295190 /nfs/dbraw/zinc/29/51/90/352295190.db2.gz KSFZBYUVRIYRHG-LBPRGKRZSA-N 2 0 284.404 -0.358 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NCC[NH2+]CCOC)CC1 ZINC000236844402 352295374 /nfs/dbraw/zinc/29/53/74/352295374.db2.gz COFNJQJDDJEVTO-UHFFFAOYSA-N 2 0 286.420 -0.634 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@H]2CC[NH2+]C2)n1 ZINC000236999349 352297011 /nfs/dbraw/zinc/29/70/11/352297011.db2.gz QZDDKTLRIKJWID-JTQLQIEISA-N 2 0 251.334 -0.007 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH2+]C1CC1 ZINC000237084914 352298517 /nfs/dbraw/zinc/29/85/17/352298517.db2.gz IOSUDGLJQBNTMA-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CCC[NH2+]C2)CC1=O ZINC000237161058 352300191 /nfs/dbraw/zinc/30/01/91/352300191.db2.gz AGMPSHYLEIJVEF-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]([NH3+])C2CC2)CC1=O ZINC000237162150 352300198 /nfs/dbraw/zinc/30/01/98/352300198.db2.gz IDWCOHFDXRMCAV-VXGBXAGGSA-N 2 0 282.388 -0.750 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NCCCC[NH3+])CC1=O ZINC000237155530 352300679 /nfs/dbraw/zinc/30/06/79/352300679.db2.gz DANMPGRZGJJJKE-LLVKDONJSA-N 2 0 270.377 -0.748 20 0 CBADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000237156329 352300794 /nfs/dbraw/zinc/30/07/94/352300794.db2.gz JYKHSHQWHXPJHT-CQSZACIVSA-N 2 0 282.432 -0.014 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000237304427 352303199 /nfs/dbraw/zinc/30/31/99/352303199.db2.gz VHUQVONLZHNYSH-CYBMUJFWSA-N 2 0 265.357 -0.091 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000237351982 352303851 /nfs/dbraw/zinc/30/38/51/352303851.db2.gz WDOBPCKZXKCPKC-QWRGUYRKSA-N 2 0 270.377 -0.893 20 0 CBADRP C[C@H]([NH3+])C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000237402968 352304324 /nfs/dbraw/zinc/30/43/24/352304324.db2.gz LZQKHUAEABYRPG-NSHDSACASA-N 2 0 277.372 -0.203 20 0 CBADRP C[C@@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C(C)(C)C[NH+](C)C ZINC000237445504 352304634 /nfs/dbraw/zinc/30/46/34/352304634.db2.gz AESCEBCXMJQVGU-GMTAPVOTSA-N 2 0 257.378 -0.198 20 0 CBADRP C[C@]1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCCC[NH2+]1 ZINC000237748398 352309357 /nfs/dbraw/zinc/30/93/57/352309357.db2.gz BHBJOBRYHOLDNK-SWLSCSKDSA-N 2 0 296.415 -0.168 20 0 CBADRP O=C([C@@H]1CC[NH2+]C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000237949833 352312007 /nfs/dbraw/zinc/31/20/07/352312007.db2.gz ZMWGXQMAUHUMSV-QWHCGFSZSA-N 2 0 267.373 -0.223 20 0 CBADRP COC(=O)CNC(=O)[C@H](C)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246390676 352332655 /nfs/dbraw/zinc/33/26/55/352332655.db2.gz PEBGTGRWGQZMMT-QWRGUYRKSA-N 2 0 271.361 -0.452 20 0 CBADRP CCN1CCN(C(=O)[C@H](C)N2CCO[C@@H](COC)C2)CC1 ZINC000246495105 352333821 /nfs/dbraw/zinc/33/38/21/352333821.db2.gz ATWXQTVQVMDFBN-UONOGXRCSA-N 2 0 299.415 -0.114 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000248849946 352356462 /nfs/dbraw/zinc/35/64/62/352356462.db2.gz IZXYSXKZWRPPOM-AVGNSLFASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000250127665 352371253 /nfs/dbraw/zinc/37/12/53/352371253.db2.gz WLZCDHRLWZABJE-AGIUHOORSA-N 2 0 296.415 -0.489 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250354865 352371879 /nfs/dbraw/zinc/37/18/79/352371879.db2.gz YEKGKFFTRYWWNN-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CCC[C@@H](CNC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000250650849 352373233 /nfs/dbraw/zinc/37/32/33/352373233.db2.gz WQWKYKUUBAFXGT-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@H]1C[N@H+](CC(=O)N2CCN(C)CC2)CC[C@H]1O ZINC000251954343 352376494 /nfs/dbraw/zinc/37/64/94/352376494.db2.gz YKNAZYMWSBGJRJ-NWDGAFQWSA-N 2 0 255.362 -0.537 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000261608872 352390775 /nfs/dbraw/zinc/39/07/75/352390775.db2.gz BOVARVFRYIUGGB-NWDGAFQWSA-N 2 0 254.378 -0.510 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC000261700266 352393828 /nfs/dbraw/zinc/39/38/28/352393828.db2.gz JFMQINYTTBZEKZ-CQSZACIVSA-N 2 0 298.431 -0.635 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CCC[NH2+]1 ZINC000261743332 352395737 /nfs/dbraw/zinc/39/57/37/352395737.db2.gz PJQFDZJNRCLGPN-VXGBXAGGSA-N 2 0 254.378 -0.510 20 0 CBADRP NC(=O)NC(=O)CCN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261826378 352397829 /nfs/dbraw/zinc/39/78/29/352397829.db2.gz SPOMGUUWZHKQMH-NWDGAFQWSA-N 2 0 276.340 -0.002 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000261801156 352397848 /nfs/dbraw/zinc/39/78/48/352397848.db2.gz OCUIXNRJHGKCRJ-UTUOFQBUSA-N 2 0 271.361 -0.670 20 0 CBADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)CNC(=O)C[NH3+])C1 ZINC000262180512 352409408 /nfs/dbraw/zinc/40/94/08/352409408.db2.gz RWNITYZDQHMXDF-GFCCVEGCSA-N 2 0 284.404 -0.310 20 0 CBADRP O=C(C1C[NH2+]C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000262233797 352411539 /nfs/dbraw/zinc/41/15/39/352411539.db2.gz MSKJAEDFANMXLT-LLVKDONJSA-N 2 0 253.346 -0.614 20 0 CBADRP O=C(NC[C@@H]1CCCN(C(=O)C2C[NH2+]C2)C1)[C@@H]1CCC[NH2+]1 ZINC000262230167 352411566 /nfs/dbraw/zinc/41/15/66/352411566.db2.gz MAWHFOJFSRAJMU-AAEUAGOBSA-N 2 0 294.399 -0.687 20 0 CBADRP O=C(C1C[NH2+]C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000262247853 352412501 /nfs/dbraw/zinc/41/25/01/352412501.db2.gz OYYNGDGNLBDVKU-GFCCVEGCSA-N 2 0 267.373 -0.223 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000262380541 352419113 /nfs/dbraw/zinc/41/91/13/352419113.db2.gz MVVWFPDVWBGYKN-RYUDHWBXSA-N 2 0 255.362 -0.238 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC000262447442 352422436 /nfs/dbraw/zinc/42/24/36/352422436.db2.gz UHERHYBXYOENSU-AGIUHOORSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@@H](CNC(=O)C[C@@H]1COCC[NH2+]1)N1CCOCC1 ZINC000262484121 352423434 /nfs/dbraw/zinc/42/34/34/352423434.db2.gz ZXIOCVAJEPAJKW-NWDGAFQWSA-N 2 0 271.361 -0.798 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262566826 352425981 /nfs/dbraw/zinc/42/59/81/352425981.db2.gz YCGVRGSVGDZQPQ-WOPDTQHZSA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@H](CNC(=O)C[NH2+]CC1CC1)N1CC[NH+](C)CC1 ZINC000262645703 352429204 /nfs/dbraw/zinc/42/92/04/352429204.db2.gz NQEWLTNPNZLZKF-GFCCVEGCSA-N 2 0 268.405 -0.262 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000262665430 352430147 /nfs/dbraw/zinc/43/01/47/352430147.db2.gz JODLVZBBEFMCJB-UHFFFAOYSA-N 2 0 285.388 -0.454 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C(C)(C)[NH3+])CC1 ZINC000262663146 352430738 /nfs/dbraw/zinc/43/07/38/352430738.db2.gz ZVEAKKPTTBCYLG-NSHDSACASA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000262721002 352431500 /nfs/dbraw/zinc/43/15/00/352431500.db2.gz FQVGFYXRBQRQKB-FRRDWIJNSA-N 2 0 296.415 -0.489 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263053884 352437611 /nfs/dbraw/zinc/43/76/11/352437611.db2.gz UULRPNBOMDMBPE-DOMZBBRYSA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000263225772 352440124 /nfs/dbraw/zinc/44/01/24/352440124.db2.gz GKTKIZGIMSQYNI-SUHUHFCYSA-N 2 0 296.415 -0.315 20 0 CBADRP CCC(CC)(C[NH3+])C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000262031577 352404153 /nfs/dbraw/zinc/40/41/53/352404153.db2.gz SLFKRVLIMFFTQB-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000262028197 352404372 /nfs/dbraw/zinc/40/43/72/352404372.db2.gz PFQRYKBZBRDFMD-MCIONIFRSA-N 2 0 299.415 -0.034 20 0 CBADRP COC[C@](C)(CCO)[NH2+]CCC(=O)N1CC[NH2+]CC1 ZINC000262093388 352405924 /nfs/dbraw/zinc/40/59/24/352405924.db2.gz LOPUZXBMPULPNM-ZDUSSCGKSA-N 2 0 273.377 -0.815 20 0 CBADRP CC[C@@]1(C(=O)NCCCN2CC[NH2+]CC2)CCC[NH2+]1 ZINC000134364823 187742302 /nfs/dbraw/zinc/74/23/02/187742302.db2.gz RZQWFZFRXFCMND-AWEZNQCLSA-N 2 0 268.405 -0.070 20 0 CBADRP COCC[N@H+](C)C[C@H](O)Cn1cc([C@@H]([NH3+])C(C)C)nn1 ZINC000312676941 352775524 /nfs/dbraw/zinc/77/55/24/352775524.db2.gz CJAMOGOUJJZOJR-AAEUAGOBSA-N 2 0 285.392 -0.127 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)Cn1cc([C@H]([NH3+])C(C)C)nn1 ZINC000312676942 352775833 /nfs/dbraw/zinc/77/58/33/352775833.db2.gz CJAMOGOUJJZOJR-DGCLKSJQSA-N 2 0 285.392 -0.127 20 0 CBADRP OC[C@@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@H]1CO ZINC000304780959 352747608 /nfs/dbraw/zinc/74/76/08/352747608.db2.gz GAIMFTBMOXQKKA-KBPBESRZSA-N 2 0 272.389 -0.084 20 0 CBADRP O[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H](O)C2)C1 ZINC000304786583 352747779 /nfs/dbraw/zinc/74/77/79/352747779.db2.gz IMNWMMGSUDJJFV-OKILXGFUSA-N 2 0 272.389 -0.084 20 0 CBADRP COC[C@@]1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]C1 ZINC000311767614 352770334 /nfs/dbraw/zinc/77/03/34/352770334.db2.gz VQPLVQPZDAGIBF-SMDDNHRTSA-N 2 0 267.373 -0.035 20 0 CBADRP CNC(=O)NC(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312050882 352772737 /nfs/dbraw/zinc/77/27/37/352772737.db2.gz XCIZJFZHTCZUOQ-PHIMTYICSA-N 2 0 268.361 -0.237 20 0 CBADRP C[NH+](C)CC1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000312150289 352773675 /nfs/dbraw/zinc/77/36/75/352773675.db2.gz WTUVLURDHDGKOL-OAHLLOKOSA-N 2 0 285.432 -0.047 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)C2(OC)CC[NH2+]CC2)CC1 ZINC000314582094 352779934 /nfs/dbraw/zinc/77/99/34/352779934.db2.gz QFCMLCDSMNAZEF-UHFFFAOYSA-N 2 0 299.415 -0.064 20 0 CBADRP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000332101180 352934383 /nfs/dbraw/zinc/93/43/83/352934383.db2.gz QCNSNSGWUCJSRT-OLZOCXBDSA-N 2 0 294.399 -0.497 20 0 CBADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000332092142 352934977 /nfs/dbraw/zinc/93/49/77/352934977.db2.gz BSQMQVNRZAVKMZ-UPJWGTAASA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C[C@@H]1[NH+](C)C ZINC000331456006 352915813 /nfs/dbraw/zinc/91/58/13/352915813.db2.gz HMXAXSYQBYRFLA-AGIUHOORSA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000331523649 352921808 /nfs/dbraw/zinc/92/18/08/352921808.db2.gz RJOCHXRGCXVMLH-LBPRGKRZSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@@H](C)[NH2+]1 ZINC000331913148 352927683 /nfs/dbraw/zinc/92/76/83/352927683.db2.gz SZVVJDLXBHILIA-VXGBXAGGSA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000331959388 352928675 /nfs/dbraw/zinc/92/86/75/352928675.db2.gz KECGEMQGQVRPFB-LLVKDONJSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332038185 352930092 /nfs/dbraw/zinc/93/00/92/352930092.db2.gz LACNOTOGEROKMO-YNEHKIRRSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332038184 352930407 /nfs/dbraw/zinc/93/04/07/352930407.db2.gz LACNOTOGEROKMO-XQQFMLRXSA-N 2 0 294.399 -0.450 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332184618 352939403 /nfs/dbraw/zinc/93/94/03/352939403.db2.gz AMATUQYZNLVPST-STQMWFEESA-N 2 0 294.399 -0.497 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000332390284 352947789 /nfs/dbraw/zinc/94/77/89/352947789.db2.gz WTDCOCVIENEIOH-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332558548 352965650 /nfs/dbraw/zinc/96/56/50/352965650.db2.gz OTXXNJIJAZLICK-RYUDHWBXSA-N 2 0 280.372 -0.839 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000332560518 352965792 /nfs/dbraw/zinc/96/57/92/352965792.db2.gz QDUZRLOOQKOVTD-JHJVBQTASA-N 2 0 294.399 -0.450 20 0 CBADRP O=C(NC1C[NH2+]C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000335397343 353031860 /nfs/dbraw/zinc/03/18/60/353031860.db2.gz UTGCDJUBTUATRV-LLVKDONJSA-N 2 0 252.362 -0.011 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@H]([NH3+])C3CCC3)C[C@H]2[NH3+])cn1 ZINC000333561523 353003080 /nfs/dbraw/zinc/00/30/80/353003080.db2.gz LBSDFCZYQZDJIL-YNEHKIRRSA-N 2 0 277.372 -0.199 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)NCC3([NH3+])CCC3)C[C@H]2[NH3+])cn1 ZINC000333560677 353003622 /nfs/dbraw/zinc/00/36/22/353003622.db2.gz KWKUFLMGYRPXPX-NWDGAFQWSA-N 2 0 292.387 -0.262 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@@H]1C[NH2+]CCO1 ZINC000333607714 353005582 /nfs/dbraw/zinc/00/55/82/353005582.db2.gz QDWSXUNRVKNDPY-MJBXVCDLSA-N 2 0 275.352 -0.153 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)N[C@H]3CCC[NH2+]C3)C[C@H]2[NH3+])cn1 ZINC000333634046 353006576 /nfs/dbraw/zinc/00/65/76/353006576.db2.gz WFZQMSKPXZEYDL-RWMBFGLXSA-N 2 0 292.387 -0.392 20 0 CBADRP COCCN1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000333760258 353009859 /nfs/dbraw/zinc/00/98/59/353009859.db2.gz AIVRTVYTQJDDSU-LBPRGKRZSA-N 2 0 270.377 -0.288 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000333839612 353011518 /nfs/dbraw/zinc/01/15/18/353011518.db2.gz NZXOEAVLHDOXEH-NWDGAFQWSA-N 2 0 269.393 -0.717 20 0 CBADRP CC[C@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@@H+]1C[C@H](C)O ZINC000333850484 353012078 /nfs/dbraw/zinc/01/20/78/353012078.db2.gz PZCMQSRJJSAYKU-QSLWVIQJSA-N 2 0 296.415 -0.309 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000333850051 353012116 /nfs/dbraw/zinc/01/21/16/353012116.db2.gz PXJFBGJPOONWGU-YNEHKIRRSA-N 2 0 284.404 -0.165 20 0 CBADRP CC1CC[NH+](CCNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000333951423 353014230 /nfs/dbraw/zinc/01/42/30/353014230.db2.gz YYWHGFMJPZQNKM-STQMWFEESA-N 2 0 284.404 -0.308 20 0 CBADRP C[N@H+](C[C@H](O)CN1CCOCC1)CC1CC[NH2+]CC1 ZINC000336819108 353059851 /nfs/dbraw/zinc/05/98/51/353059851.db2.gz YGVYXMWBXADJRX-AWEZNQCLSA-N 2 0 271.405 -0.389 20 0 CBADRP C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000336823715 353060414 /nfs/dbraw/zinc/06/04/14/353060414.db2.gz QXXVECNOCQFJCV-HUUCEWRRSA-N 2 0 285.432 -0.047 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000336838705 353063048 /nfs/dbraw/zinc/06/30/48/353063048.db2.gz IAPIHFRWMUVHIV-TZMCWYRMSA-N 2 0 298.431 -0.066 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000336838704 353063371 /nfs/dbraw/zinc/06/33/71/353063371.db2.gz IAPIHFRWMUVHIV-GXTWGEPZSA-N 2 0 298.431 -0.066 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCN1CCNC1=O ZINC000336844145 353063912 /nfs/dbraw/zinc/06/39/12/353063912.db2.gz YMNNWQVDHPXSDW-UHFFFAOYSA-N 2 0 283.420 -0.419 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)N[C@H](C)CC[NH+](C)C ZINC000336805392 353056756 /nfs/dbraw/zinc/05/67/56/353056756.db2.gz YKHRRUBZSFVBOD-ZYHUDNBSSA-N 2 0 272.393 -0.458 20 0 CBADRP CC(C)NC(=O)CN(C)CC(=O)NCC[N@H+](C)C(C)C ZINC000338425850 353101605 /nfs/dbraw/zinc/10/16/05/353101605.db2.gz RCQRKMPRQNZGLS-UHFFFAOYSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000339582169 353135401 /nfs/dbraw/zinc/13/54/01/353135401.db2.gz OZIXAFDUAFEPNI-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000340117770 353151944 /nfs/dbraw/zinc/15/19/44/353151944.db2.gz FLDTWYINYGUPBD-RWMBFGLXSA-N 2 0 296.415 -0.183 20 0 CBADRP C[C@@H]([NH3+])CC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000340185249 353154664 /nfs/dbraw/zinc/15/46/64/353154664.db2.gz JTDXMVVMVCYYHJ-NWDGAFQWSA-N 2 0 256.394 -0.277 20 0 CBADRP C[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000340184888 353154763 /nfs/dbraw/zinc/15/47/63/353154763.db2.gz KNASLZRKJKEMSK-UWVGGRQHSA-N 2 0 256.350 -0.963 20 0 CBADRP C[C@H]([NH3+])CC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000340184498 353154966 /nfs/dbraw/zinc/15/49/66/353154966.db2.gz MIECAGGNDWXRKE-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC000340215394 353157281 /nfs/dbraw/zinc/15/72/81/353157281.db2.gz RMBFRHANWIWKCN-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000340210434 353157550 /nfs/dbraw/zinc/15/75/50/353157550.db2.gz QFNCDYAPHMZJPB-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340510622 353174125 /nfs/dbraw/zinc/17/41/25/353174125.db2.gz OQEOPLXHYOLOBW-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+](C)C ZINC000340953058 353193907 /nfs/dbraw/zinc/19/39/07/353193907.db2.gz JEZZSXWJHPPRLK-QWHCGFSZSA-N 2 0 270.421 -0.065 20 0 CBADRP CNS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342102290 353219181 /nfs/dbraw/zinc/21/91/81/353219181.db2.gz LVOFPDASYGJJGR-SDDRHHMPSA-N 2 0 275.418 -0.015 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)CCC(=O)NC)CC1 ZINC000341157354 353203531 /nfs/dbraw/zinc/20/35/31/353203531.db2.gz OAXXWFTUJBSVQS-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C[NH+](C)C ZINC000341259765 353207503 /nfs/dbraw/zinc/20/75/03/353207503.db2.gz LFLDEILNUCQNQC-OLZOCXBDSA-N 2 0 268.405 -0.310 20 0 CBADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)OC)C1 ZINC000342687579 353227510 /nfs/dbraw/zinc/22/75/10/353227510.db2.gz BKROSHQZWSXRSX-MNOVXSKESA-N 2 0 271.361 -0.133 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000342736208 353230600 /nfs/dbraw/zinc/23/06/00/353230600.db2.gz MTVXKRJBVSPCDU-GXSJLCMTSA-N 2 0 269.345 -0.380 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000342737521 353230768 /nfs/dbraw/zinc/23/07/68/353230768.db2.gz NBELAMNFBYISQP-NWDGAFQWSA-N 2 0 283.372 -0.038 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000342753070 353231218 /nfs/dbraw/zinc/23/12/18/353231218.db2.gz PBGMFXZGLAUFOG-NXEZZACHSA-N 2 0 257.334 -0.523 20 0 CBADRP C[NH+]1CCC[C@@H]1C(=O)NCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC000342948022 353241829 /nfs/dbraw/zinc/24/18/29/353241829.db2.gz UVFFNQYKHCLLQE-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377563015 303465792 /nfs/dbraw/zinc/46/57/92/303465792.db2.gz KSVNWRSEPTUFIE-YNEHKIRRSA-N 2 0 266.389 -0.380 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000343216974 353260022 /nfs/dbraw/zinc/26/00/22/353260022.db2.gz KPMNBUIQJURYCY-UONOGXRCSA-N 2 0 280.416 -0.166 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)CC[N@@H+]1C ZINC000343298069 353265498 /nfs/dbraw/zinc/26/54/98/353265498.db2.gz NHJPMSDFJBRVFE-NWDGAFQWSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000343315766 353267045 /nfs/dbraw/zinc/26/70/45/353267045.db2.gz YXBBUZMZNSAOAG-GFCCVEGCSA-N 2 0 296.415 -0.251 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000343603208 353281174 /nfs/dbraw/zinc/28/11/74/353281174.db2.gz RPDJCCDOHJZWDM-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000343642538 353283121 /nfs/dbraw/zinc/28/31/21/353283121.db2.gz OZNBMFBIISECLJ-MXWKQRLJSA-N 2 0 268.361 -0.807 20 0 CBADRP CC[C@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCC[NH2+]1 ZINC000343770670 353290712 /nfs/dbraw/zinc/29/07/12/353290712.db2.gz TUQLODZGYPCLEH-SWLSCSKDSA-N 2 0 296.415 -0.025 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343898868 353297207 /nfs/dbraw/zinc/29/72/07/353297207.db2.gz PNKSPPVNEXCVNI-BPLDGKMQSA-N 2 0 292.427 -0.025 20 0 CBADRP C[C@@H]1C[N@H+](CCOCCO)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343919651 353298739 /nfs/dbraw/zinc/29/87/39/353298739.db2.gz GYMFJOBZTQPKJL-CABCVRRESA-N 2 0 285.432 -0.047 20 0 CBADRP C[NH+](C)CCNC(=O)C1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000345184065 353315086 /nfs/dbraw/zinc/31/50/86/353315086.db2.gz GOLIFWHCVWNNOZ-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1[C@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)CCC[N@@H+]1C ZINC000345332517 353323933 /nfs/dbraw/zinc/32/39/33/353323933.db2.gz YKNGZMKKTKHACS-MGPQQGTHSA-N 2 0 280.416 -0.025 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000346127368 353362723 /nfs/dbraw/zinc/36/27/23/353362723.db2.gz VMBZZESOQBJPBR-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000346157623 353364874 /nfs/dbraw/zinc/36/48/74/353364874.db2.gz CBZNCLAEZHLLSQ-NEPJUHHUSA-N 2 0 284.404 -0.537 20 0 CBADRP C[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000345590028 353339805 /nfs/dbraw/zinc/33/98/05/353339805.db2.gz WJALGRQQCRFNIN-LBPRGKRZSA-N 2 0 254.378 -0.556 20 0 CBADRP CC[N@H+](CCNC(=O)CCOC1C[NH2+]C1)C1CC1 ZINC000348988496 353442847 /nfs/dbraw/zinc/44/28/47/353442847.db2.gz HVDMBPGGYTWYEH-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000348991364 353443303 /nfs/dbraw/zinc/44/33/03/353443303.db2.gz GMXYIDWAVGPONI-NSHDSACASA-N 2 0 271.361 -0.798 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000348989496 353443390 /nfs/dbraw/zinc/44/33/90/353443390.db2.gz JHLDFEKZOZJFIM-LLVKDONJSA-N 2 0 253.346 -0.282 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[NH+](CC2CC2)CC1 ZINC000348988653 353443438 /nfs/dbraw/zinc/44/34/38/353443438.db2.gz BOVPOMNJOODFSI-UHFFFAOYSA-N 2 0 267.373 -0.081 20 0 CBADRP O=C(CCOC1C[NH2+]C1)NCC[NH+]1CCCCC1 ZINC000349008633 353444984 /nfs/dbraw/zinc/44/49/84/353444984.db2.gz WHQRLCVNUGOTAD-UHFFFAOYSA-N 2 0 255.362 -0.033 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000349030089 353445926 /nfs/dbraw/zinc/44/59/26/353445926.db2.gz RJDANARBVYOGBR-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CCOC2C[NH2+]C2)C1 ZINC000349032599 353445994 /nfs/dbraw/zinc/44/59/94/353445994.db2.gz XRNOGXZAEKDLOJ-CQSZACIVSA-N 2 0 299.415 -0.162 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)CCOC1C[NH2+]C1)C1CC1 ZINC000349059810 353447458 /nfs/dbraw/zinc/44/74/58/353447458.db2.gz UTVDNQHDFUVQAO-LBPRGKRZSA-N 2 0 255.362 -0.179 20 0 CBADRP Cn1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(=O)n(C)c1=O ZINC000352540829 353491581 /nfs/dbraw/zinc/49/15/81/353491581.db2.gz QACBLJAIWRNAKS-OAHLLOKOSA-N 2 0 292.383 -0.341 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000349935832 353468624 /nfs/dbraw/zinc/46/86/24/353468624.db2.gz KLYRXRLUCHQPSM-GHMZBOCLSA-N 2 0 270.377 -0.750 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000351540601 353475911 /nfs/dbraw/zinc/47/59/11/353475911.db2.gz OVALZTYZYPNYRI-NEPJUHHUSA-N 2 0 282.388 -0.689 20 0 CBADRP C[N@H+](CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000351536513 353476011 /nfs/dbraw/zinc/47/60/11/353476011.db2.gz GVIVCYCHQYGLMV-ZDUSSCGKSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000353113480 353522040 /nfs/dbraw/zinc/52/20/40/353522040.db2.gz QRLMCPFDTJFKHF-GFCCVEGCSA-N 2 0 286.420 -0.060 20 0 CBADRP C[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC000354666839 353576314 /nfs/dbraw/zinc/57/63/14/353576314.db2.gz MIBMRWSDIKHYFY-UTUOFQBUSA-N 2 0 282.388 -0.547 20 0 CBADRP C[NH+](C)CCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354703594 353579527 /nfs/dbraw/zinc/57/95/27/353579527.db2.gz ZQVFEWVQQMDWFE-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000354713193 353580128 /nfs/dbraw/zinc/58/01/28/353580128.db2.gz QJJQMZWVURYJJL-NEPJUHHUSA-N 2 0 282.388 -0.687 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000354721022 353580207 /nfs/dbraw/zinc/58/02/07/353580207.db2.gz YDOLHFBTJIXITA-STQMWFEESA-N 2 0 294.399 -0.449 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000355129687 353586701 /nfs/dbraw/zinc/58/67/01/353586701.db2.gz IUZQVINBPTVUTE-NSHDSACASA-N 2 0 282.388 -0.641 20 0 CBADRP Cn1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c(=O)n(C)c1=O ZINC000357110590 353601780 /nfs/dbraw/zinc/60/17/80/353601780.db2.gz ZVPACDWUJROFBP-QWRGUYRKSA-N 2 0 278.356 -0.875 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000357245542 353601901 /nfs/dbraw/zinc/60/19/01/353601901.db2.gz VMINZDMNXZCWQS-RYUDHWBXSA-N 2 0 255.362 -0.238 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000357314125 353602364 /nfs/dbraw/zinc/60/23/64/353602364.db2.gz LOZVYXDCCRATQE-GIPNMCIBSA-N 2 0 255.362 -0.132 20 0 CBADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H](C(N)=O)O1 ZINC000359200738 353652588 /nfs/dbraw/zinc/65/25/88/353652588.db2.gz GXJRCDWQWQJJHN-ZYHUDNBSSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[N@H+](CC(=O)NC[C@@]1(O)CC[NH+](C)C1)C1CC1 ZINC000358058825 353623433 /nfs/dbraw/zinc/62/34/33/353623433.db2.gz RABRVXIYHLWWIQ-ZDUSSCGKSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358504450 353648401 /nfs/dbraw/zinc/64/84/01/353648401.db2.gz ROESMUNFMNSARP-ZYHUDNBSSA-N 2 0 258.366 -0.698 20 0 CBADRP C[C@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCCC[NH2+]1 ZINC000357811238 353608000 /nfs/dbraw/zinc/60/80/00/353608000.db2.gz TVWUINHQEDFEHD-SWLSCSKDSA-N 2 0 296.415 -0.025 20 0 CBADRP CN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000357900143 353613066 /nfs/dbraw/zinc/61/30/66/353613066.db2.gz BALMCPJXMAADGJ-WOPDTQHZSA-N 2 0 253.346 -0.596 20 0 CBADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000357904033 353613669 /nfs/dbraw/zinc/61/36/69/353613669.db2.gz BMCBGNKTJOWWOU-WCQYABFASA-N 2 0 299.415 -0.285 20 0 CBADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000357904031 353613744 /nfs/dbraw/zinc/61/37/44/353613744.db2.gz BMCBGNKTJOWWOU-AAEUAGOBSA-N 2 0 299.415 -0.285 20 0 CBADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000357904032 353613800 /nfs/dbraw/zinc/61/38/00/353613800.db2.gz BMCBGNKTJOWWOU-DGCLKSJQSA-N 2 0 299.415 -0.285 20 0 CBADRP CC1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000358049653 353620841 /nfs/dbraw/zinc/62/08/41/353620841.db2.gz OWGMJVPYPOWZAX-AWEZNQCLSA-N 2 0 269.389 -0.099 20 0 CBADRP O[C@@H]1COC[C@@H]1[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000361301485 353660728 /nfs/dbraw/zinc/66/07/28/353660728.db2.gz WYRUTDUEDLUBAY-MELADBBJSA-N 2 0 270.373 -0.210 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3C[NH2+]CCO3)CC2)C1 ZINC000364574228 353672290 /nfs/dbraw/zinc/67/22/90/353672290.db2.gz DAMASJPHFPUNOE-UONOGXRCSA-N 2 0 296.415 -0.787 20 0 CBADRP C[C@H](CNC(=O)[C@]1(F)CC[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000370772015 353691722 /nfs/dbraw/zinc/69/17/22/353691722.db2.gz JCPRZSZGSWHTDS-OCCSQVGLSA-N 2 0 286.395 -0.312 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCc2nccn2C1 ZINC000373570710 353732968 /nfs/dbraw/zinc/73/29/68/353732968.db2.gz XIMYVYKIVGALCA-BXUZGUMPSA-N 2 0 280.372 -0.126 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](OC)C[NH2+]2)C1 ZINC000373624213 353734148 /nfs/dbraw/zinc/73/41/48/353734148.db2.gz QGRMCRXLMPPKLI-SDDRHHMPSA-N 2 0 271.361 -0.800 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000371262689 353699028 /nfs/dbraw/zinc/69/90/28/353699028.db2.gz PAZZBLAVWURUKB-YPMHNXCESA-N 2 0 272.368 -0.560 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000372098245 353710368 /nfs/dbraw/zinc/71/03/68/353710368.db2.gz HZMPSBWPTFXAPW-QJPTWQEYSA-N 2 0 255.362 -0.219 20 0 CBADRP CC[C@@H]1CN(CCS(=O)(=O)N(C)C)CC[C@H]1[NH3+] ZINC000383926390 353785585 /nfs/dbraw/zinc/78/55/85/353785585.db2.gz DTUSKSKZUUMSAQ-GHMZBOCLSA-N 2 0 263.407 -0.063 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000375833410 353768257 /nfs/dbraw/zinc/76/82/57/353768257.db2.gz HMLPIDUTAVTVSO-MGPQQGTHSA-N 2 0 297.399 -0.578 20 0 CBADRP C[NH2+]CCC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000375833622 353768522 /nfs/dbraw/zinc/76/85/22/353768522.db2.gz ISHJCJVSRRYOPN-RYUDHWBXSA-N 2 0 255.362 -0.347 20 0 CBADRP CNS(=O)(=O)CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000375898838 353769408 /nfs/dbraw/zinc/76/94/08/353769408.db2.gz YHWOPFJODBXKKK-QJPTWQEYSA-N 2 0 275.418 -0.002 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000375956069 353769770 /nfs/dbraw/zinc/76/97/70/353769770.db2.gz ADTFVIBFAAGHIA-QWHCGFSZSA-N 2 0 298.456 -0.412 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000375961732 353769809 /nfs/dbraw/zinc/76/98/09/353769809.db2.gz DFHMDMOKNIPLLB-SRVKXCTJSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000375975572 353770671 /nfs/dbraw/zinc/77/06/71/353770671.db2.gz ROICQMRQQYKBCG-ZMLRMANQSA-N 2 0 253.346 -0.426 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377590902 353778843 /nfs/dbraw/zinc/77/88/43/353778843.db2.gz ZRPQOLTUADZDPK-RYUDHWBXSA-N 2 0 254.378 -0.652 20 0 CBADRP CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000400212024 353800603 /nfs/dbraw/zinc/80/06/03/353800603.db2.gz VQPDBXNRAKVMNM-AXFHLTTASA-N 2 0 261.391 -0.120 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](C)C(C)(C)C1 ZINC000388872644 353790629 /nfs/dbraw/zinc/79/06/29/353790629.db2.gz RLFBTDJQRODPCJ-CYBMUJFWSA-N 2 0 273.421 -0.049 20 0 CBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000410474230 353929098 /nfs/dbraw/zinc/92/90/98/353929098.db2.gz KRSRLKBHBUIXBT-LBPRGKRZSA-N 2 0 284.404 -0.441 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000410497551 353930542 /nfs/dbraw/zinc/93/05/42/353930542.db2.gz KAUKPPJXYJCOGF-CYBMUJFWSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC000411028041 353939393 /nfs/dbraw/zinc/93/93/93/353939393.db2.gz PBOFVZZFFVBLNE-CYBMUJFWSA-N 2 0 298.431 -0.053 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CCO1 ZINC000418420425 353996661 /nfs/dbraw/zinc/99/66/61/353996661.db2.gz ZEFMRECUUVCWDZ-TUAOUCFPSA-N 2 0 270.377 -0.127 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000418395415 353996744 /nfs/dbraw/zinc/99/67/44/353996744.db2.gz SOTJZZCQCHSKNF-RWMBFGLXSA-N 2 0 286.420 -0.062 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)NCC[NH3+])C[C@@H](C)O1 ZINC000416936924 353973890 /nfs/dbraw/zinc/97/38/90/353973890.db2.gz COBSYWKKGZLPQH-GHMZBOCLSA-N 2 0 258.366 -0.256 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418453126 353998050 /nfs/dbraw/zinc/99/80/50/353998050.db2.gz YSANBRIOQCSKKZ-QWRGUYRKSA-N 2 0 258.366 -0.209 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(CC[NH3+])CCO ZINC000417035037 353975393 /nfs/dbraw/zinc/97/53/93/353975393.db2.gz SFIMDIUZWHKJQH-LBPRGKRZSA-N 2 0 272.393 -0.177 20 0 CBADRP CC(C)([NH3+])CNC(=O)NCCNc1cc[nH+]cc1 ZINC000418414434 353997112 /nfs/dbraw/zinc/99/71/12/353997112.db2.gz LJPGYSNDCQUIFX-UHFFFAOYSA-N 2 0 251.334 -0.048 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000418395417 353997120 /nfs/dbraw/zinc/99/71/20/353997120.db2.gz SOTJZZCQCHSKNF-YNEHKIRRSA-N 2 0 286.420 -0.062 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)NCCC[N@H+](C)CCOC ZINC000417095625 353976330 /nfs/dbraw/zinc/97/63/30/353976330.db2.gz UJIPHNQSROAFHY-LLVKDONJSA-N 2 0 260.382 -0.009 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000418426150 353997169 /nfs/dbraw/zinc/99/71/69/353997169.db2.gz LPPRBSYQHSAPPR-CYBMUJFWSA-N 2 0 272.393 -0.130 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417442907 353977244 /nfs/dbraw/zinc/97/72/44/353977244.db2.gz WONWVULAMULHEQ-OLZOCXBDSA-N 2 0 284.404 -0.185 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000417449404 353977361 /nfs/dbraw/zinc/97/73/61/353977361.db2.gz XWTLEEWAHSGQFG-GFCCVEGCSA-N 2 0 272.393 -0.137 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417439657 353977978 /nfs/dbraw/zinc/97/79/78/353977978.db2.gz MMAWOZKCMUQOQR-LLVKDONJSA-N 2 0 258.366 -0.399 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000417443825 353977997 /nfs/dbraw/zinc/97/79/97/353977997.db2.gz AZZZUQNESUFRJH-VXGBXAGGSA-N 2 0 272.393 -0.057 20 0 CBADRP C[N@H+](CCNC(=O)N(CC[NH3+])CCO)C1CCCC1 ZINC000417506243 353978787 /nfs/dbraw/zinc/97/87/87/353978787.db2.gz LIRZNKJUYZLJGV-UHFFFAOYSA-N 2 0 272.393 -0.177 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000418424170 353997252 /nfs/dbraw/zinc/99/72/52/353997252.db2.gz GMVDICQPUOXXAU-AAEUAGOBSA-N 2 0 272.393 -0.274 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)C[NH3+] ZINC000417567431 353979858 /nfs/dbraw/zinc/97/98/58/353979858.db2.gz NNUVYHRGZBXABY-MNOVXSKESA-N 2 0 258.366 -0.256 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000417612922 353981096 /nfs/dbraw/zinc/98/10/96/353981096.db2.gz RULIHWQWHJOWEE-CYBMUJFWSA-N 2 0 285.436 -0.079 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000417744955 353982909 /nfs/dbraw/zinc/98/29/09/353982909.db2.gz DPPBWCIMHHIASD-NSHDSACASA-N 2 0 260.382 -0.057 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000417760368 353983455 /nfs/dbraw/zinc/98/34/55/353983455.db2.gz XRTAVWSYESWWCH-NSHDSACASA-N 2 0 258.366 -0.384 20 0 CBADRP [NH3+]C[C@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000417827035 353983805 /nfs/dbraw/zinc/98/38/05/353983805.db2.gz FCAYQBWESHSRML-OLZOCXBDSA-N 2 0 296.415 -0.122 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000417851654 353984542 /nfs/dbraw/zinc/98/45/42/353984542.db2.gz NIHITJACCBVEHJ-RDBSUJKOSA-N 2 0 280.416 -0.119 20 0 CBADRP C[NH+](C)C1(CNC(=O)NCCN2CC[NH2+]CC2)CCC1 ZINC000418045363 353986813 /nfs/dbraw/zinc/98/68/13/353986813.db2.gz BUHHWVKCUUCAAL-UHFFFAOYSA-N 2 0 283.420 -0.325 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)NCCOCC[NH+](C)C ZINC000418073977 353987450 /nfs/dbraw/zinc/98/74/50/353987450.db2.gz XCMOCYJCQCQMQI-LLVKDONJSA-N 2 0 260.382 -0.281 20 0 CBADRP C[NH+](C)CCOCCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418067744 353987575 /nfs/dbraw/zinc/98/75/75/353987575.db2.gz NHBJLKFTSKPENA-LLVKDONJSA-N 2 0 258.366 -0.384 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCOCC[NH+](C)C ZINC000418073982 353987889 /nfs/dbraw/zinc/98/78/89/353987889.db2.gz XDYSOXCJULOVEU-NWDGAFQWSA-N 2 0 272.393 -0.044 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000418211967 353988140 /nfs/dbraw/zinc/98/81/40/353988140.db2.gz LDSUJZLPHVXWPK-ZYHUDNBSSA-N 2 0 270.377 -0.256 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000418214139 353988264 /nfs/dbraw/zinc/98/82/64/353988264.db2.gz MXFLAFALVMBPKL-ZYHUDNBSSA-N 2 0 270.377 -0.114 20 0 CBADRP [NH3+]C[C@@H](NC(=O)NCCN1CC[NH2+]CC1)C1CCCC1 ZINC000418293328 353991144 /nfs/dbraw/zinc/99/11/44/353991144.db2.gz FIKNLGCFEXSMCY-CYBMUJFWSA-N 2 0 283.420 -0.292 20 0 CBADRP C[C@H]1CCN(C(=O)NCCN2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000418292901 353991219 /nfs/dbraw/zinc/99/12/19/353991219.db2.gz DVJLWXKPXVBPMJ-QWHCGFSZSA-N 2 0 283.420 -0.482 20 0 CBADRP [NH3+]C1(CNC(=O)NC[C@H]2C[NH2+]CCO2)CCCCC1 ZINC000418298240 353992070 /nfs/dbraw/zinc/99/20/70/353992070.db2.gz PNAQQOHWUKSUMM-LLVKDONJSA-N 2 0 270.377 -0.064 20 0 CBADRP O=C(NCCNc1cc[nH+]cc1)NCCN1CC[NH2+]CC1 ZINC000418295574 353992188 /nfs/dbraw/zinc/99/21/88/353992188.db2.gz HXMVRFWNPQIJBR-UHFFFAOYSA-N 2 0 292.387 -0.880 20 0 CBADRP [NH3+]C1(CNC(=O)NC[C@@H]2C[NH2+]CCO2)CCCCC1 ZINC000418298242 353992201 /nfs/dbraw/zinc/99/22/01/353992201.db2.gz PNAQQOHWUKSUMM-NSHDSACASA-N 2 0 270.377 -0.064 20 0 CBADRP CC[NH2+]CCNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418319488 353993070 /nfs/dbraw/zinc/99/30/70/353993070.db2.gz RHDDUVSXZRYYFN-LBPRGKRZSA-N 2 0 258.366 -0.336 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418350036 353993786 /nfs/dbraw/zinc/99/37/86/353993786.db2.gz QOPPQRUOHUQONI-CYBMUJFWSA-N 2 0 286.420 -0.011 20 0 CBADRP CC[NH2+]CCNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000418321240 353993867 /nfs/dbraw/zinc/99/38/67/353993867.db2.gz YCXAVPCSYROYQY-GFCCVEGCSA-N 2 0 272.393 -0.258 20 0 CBADRP C[NH2+]CCNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000418326070 353994158 /nfs/dbraw/zinc/99/41/58/353994158.db2.gz KLZHVTGCZQMRTI-NSHDSACASA-N 2 0 272.393 -0.308 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000418368107 353994624 /nfs/dbraw/zinc/99/46/24/353994624.db2.gz RFJYYVGDXLJIDO-YNEHKIRRSA-N 2 0 286.420 -0.062 20 0 CBADRP O=C(NCCNc1cc[nH+]cc1)NC[C@@H]1CCC[NH2+]1 ZINC000418371808 353994630 /nfs/dbraw/zinc/99/46/30/353994630.db2.gz QCIXGTCINFRMSZ-LBPRGKRZSA-N 2 0 263.345 -0.033 20 0 CBADRP COC[C@]1(CNC(=O)N[C@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000418385526 353995764 /nfs/dbraw/zinc/99/57/64/353995764.db2.gz QCOSZZYNYRPLHL-WCQYABFASA-N 2 0 270.377 -0.194 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000418407487 353996520 /nfs/dbraw/zinc/99/65/20/353996520.db2.gz FQAIXFDOARVYTE-SCRDCRAPSA-N 2 0 284.404 -0.130 20 0 CBADRP CN(CC[NH2+]C(C)(C)C)CC(=O)N1CC[NH2+]CC1 ZINC000414660195 353963571 /nfs/dbraw/zinc/96/35/71/353963571.db2.gz UMRXHCSMIYWYJX-UHFFFAOYSA-N 2 0 256.394 -0.262 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419229585 354039646 /nfs/dbraw/zinc/03/96/46/354039646.db2.gz OXBRERUBSLXBHW-CYBMUJFWSA-N 2 0 296.415 -0.216 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000419226794 354039660 /nfs/dbraw/zinc/03/96/60/354039660.db2.gz RIZHTRDMYOTZRX-ZDUSSCGKSA-N 2 0 294.399 -0.296 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NCC(C)(C)[NH3+])CCC1 ZINC000419244684 354040916 /nfs/dbraw/zinc/04/09/16/354040916.db2.gz USYIYFKKXCXOIF-UHFFFAOYSA-N 2 0 270.377 -0.560 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000419245061 354041229 /nfs/dbraw/zinc/04/12/29/354041229.db2.gz VCTOCWWCCVAZGH-NSHDSACASA-N 2 0 282.388 -0.593 20 0 CBADRP CCC[NH2+]CCNC(=O)N1CCN(CCO)C[C@H]1C ZINC000418489032 353999331 /nfs/dbraw/zinc/99/93/31/353999331.db2.gz MSUBROWIDAWFTL-GFCCVEGCSA-N 2 0 272.393 -0.306 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418506570 353999884 /nfs/dbraw/zinc/99/98/84/353999884.db2.gz ITEWCVSADWLATR-MNOVXSKESA-N 2 0 258.366 -0.480 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[NH+](C(C)C)CC1 ZINC000418506221 353999994 /nfs/dbraw/zinc/99/99/94/353999994.db2.gz HRGXPHZOXZCWIB-UHFFFAOYSA-N 2 0 272.393 -0.042 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418503553 354000305 /nfs/dbraw/zinc/00/03/05/354000305.db2.gz YETKYOKNHKYUDL-GFCCVEGCSA-N 2 0 272.393 -0.057 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000418513669 354001635 /nfs/dbraw/zinc/00/16/35/354001635.db2.gz VFEATGTXZFDSFP-RYUDHWBXSA-N 2 0 272.393 -0.009 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000418556352 354003736 /nfs/dbraw/zinc/00/37/36/354003736.db2.gz FIZAVYBYCPSNMU-NTZNESFSSA-N 2 0 272.393 -0.404 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000418636487 354003884 /nfs/dbraw/zinc/00/38/84/354003884.db2.gz HLTRESZHOGCKRS-OLZOCXBDSA-N 2 0 286.420 -0.014 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000418614686 354004662 /nfs/dbraw/zinc/00/46/62/354004662.db2.gz GIMGLLWQKOLZOQ-GXTWGEPZSA-N 2 0 284.404 -0.130 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000418675311 354005276 /nfs/dbraw/zinc/00/52/76/354005276.db2.gz RKBWKDWONXYYQH-NNYUYHANSA-N 2 0 250.346 -0.306 20 0 CBADRP O=C(NCCNc1cc[nH+]cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418676385 354005414 /nfs/dbraw/zinc/00/54/14/354005414.db2.gz STQZPYMLBCAACC-GDNZZTSVSA-N 2 0 261.329 -0.568 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418758243 354007140 /nfs/dbraw/zinc/00/71/40/354007140.db2.gz FISCHDBSMHYBCB-QJPTWQEYSA-N 2 0 270.377 -0.114 20 0 CBADRP O=C(NCCNc1cc[nH+]cc1)NC[C@H]1C[NH2+]CCO1 ZINC000418755176 354007205 /nfs/dbraw/zinc/00/72/05/354007205.db2.gz BSPGWPGLPSNPKO-GFCCVEGCSA-N 2 0 279.344 -0.797 20 0 CBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418751401 354007311 /nfs/dbraw/zinc/00/73/11/354007311.db2.gz AJIHOWAQAANDGU-QWHCGFSZSA-N 2 0 285.436 -0.095 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418767216 354007821 /nfs/dbraw/zinc/00/78/21/354007821.db2.gz NTMYABXEBUIAMH-NWDGAFQWSA-N 2 0 270.377 -0.242 20 0 CBADRP CC(C)[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000418777524 354008775 /nfs/dbraw/zinc/00/87/75/354008775.db2.gz YNWXUDUNYZHFFT-OLZOCXBDSA-N 2 0 284.404 -0.044 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCN2C)C[C@@H]1[NH+](C)C ZINC000418770765 354008801 /nfs/dbraw/zinc/00/88/01/354008801.db2.gz VACWFBZYZKGHQJ-UPJWGTAASA-N 2 0 283.420 -0.519 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCN2C)C[C@@H]1[NH+](C)C ZINC000418770361 354008806 /nfs/dbraw/zinc/00/88/06/354008806.db2.gz VACWFBZYZKGHQJ-AGIUHOORSA-N 2 0 283.420 -0.519 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)CCCC1 ZINC000418832254 354010724 /nfs/dbraw/zinc/01/07/24/354010724.db2.gz JUHRHKGTZNQFGZ-NSHDSACASA-N 2 0 282.388 -0.463 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000418831560 354010767 /nfs/dbraw/zinc/01/07/67/354010767.db2.gz JIHQDMVZDZFCDK-GFCCVEGCSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H]1CCC[C@@](CNC(=O)C(=O)NCC[NH3+])([NH+](C)C)C1 ZINC000418925707 354015251 /nfs/dbraw/zinc/01/52/51/354015251.db2.gz RKAGBDKPWXICBF-SMDDNHRTSA-N 2 0 284.404 -0.312 20 0 CBADRP CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000418938454 354016755 /nfs/dbraw/zinc/01/67/55/354016755.db2.gz QBQUNCOMODIAEW-GFCCVEGCSA-N 2 0 298.431 -0.064 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000418984077 354019581 /nfs/dbraw/zinc/01/95/81/354019581.db2.gz KVQJWDYXOVCQEX-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP CC1CC[NH+](CCCNC(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000419009009 354022764 /nfs/dbraw/zinc/02/27/64/354022764.db2.gz WQRZGRNBXWQRAS-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP [NH3+]C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCCCC1)C1CC1 ZINC000419008215 354023179 /nfs/dbraw/zinc/02/31/79/354023179.db2.gz VFPUGNZZCRSFJC-CYBMUJFWSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000419029771 354025317 /nfs/dbraw/zinc/02/53/17/354025317.db2.gz SCFZYEXOAMEPKC-IJLUTSLNSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419032403 354025378 /nfs/dbraw/zinc/02/53/78/354025378.db2.gz WMQLSZWONGXIHN-JHJVBQTASA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)CC[NH3+] ZINC000419079958 354027367 /nfs/dbraw/zinc/02/73/67/354027367.db2.gz NXKZOLMPBLIURZ-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000419096140 354028672 /nfs/dbraw/zinc/02/86/72/354028672.db2.gz DJBMASPKTVZZRX-NEPJUHHUSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NCC[NH3+] ZINC000419120396 354029441 /nfs/dbraw/zinc/02/94/41/354029441.db2.gz KUIWVQFAVSKJJJ-NSHDSACASA-N 2 0 270.377 -0.558 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000419121552 354029569 /nfs/dbraw/zinc/02/95/69/354029569.db2.gz AUVUFWOGKFSFHP-QWRGUYRKSA-N 2 0 272.393 -0.458 20 0 CBADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419126844 354029801 /nfs/dbraw/zinc/02/98/01/354029801.db2.gz YNCZWUOARLXZIC-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000419133156 354030491 /nfs/dbraw/zinc/03/04/91/354030491.db2.gz GJOSEDMMFIYZOE-XQQFMLRXSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419147038 354032328 /nfs/dbraw/zinc/03/23/28/354032328.db2.gz IZTBNFLVSXOWPE-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419145634 354032365 /nfs/dbraw/zinc/03/23/65/354032365.db2.gz HQUZHFVDEVSIGO-XQQFMLRXSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000419164057 354033834 /nfs/dbraw/zinc/03/38/34/354033834.db2.gz YBYSQYKVMQYDCN-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000419159537 354033918 /nfs/dbraw/zinc/03/39/18/354033918.db2.gz ZMGXTVSELLONTN-NSHDSACASA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000419162554 354034442 /nfs/dbraw/zinc/03/44/42/354034442.db2.gz UVFFFOTZABGSJT-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CC[NH2+]1 ZINC000419155873 354034535 /nfs/dbraw/zinc/03/45/35/354034535.db2.gz IVBXVGTVDYIWIH-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000419216920 354037582 /nfs/dbraw/zinc/03/75/82/354037582.db2.gz CJXOCVJYOVXVKI-UHFFFAOYSA-N 2 0 282.388 -0.520 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC[C@H]2C[NH3+])CC1 ZINC000419223348 354038217 /nfs/dbraw/zinc/03/82/17/354038217.db2.gz MHDKFGMSBLXRNU-ZDUSSCGKSA-N 2 0 294.399 -0.296 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2C[C@H](C)[C@H]([NH3+])C2)CC1 ZINC000419222944 354038485 /nfs/dbraw/zinc/03/84/85/354038485.db2.gz LMTCTEBJFABPIR-QWHCGFSZSA-N 2 0 294.399 -0.440 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000419878667 354087801 /nfs/dbraw/zinc/08/78/01/354087801.db2.gz SJFWBAVKYWAECJ-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[N@H+](C)C1CC1 ZINC000419575833 354062548 /nfs/dbraw/zinc/06/25/48/354062548.db2.gz BIBDOZGCVAPNHK-SKDRFNHKSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])[N@H+](C)C1CC1 ZINC000419579906 354063281 /nfs/dbraw/zinc/06/32/81/354063281.db2.gz GZEZLVWFJAPUSC-VIFPVBQESA-N 2 0 270.377 -0.561 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419580437 354063365 /nfs/dbraw/zinc/06/33/65/354063365.db2.gz HKQSXKPRLKACGP-OLZOCXBDSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419583977 354064146 /nfs/dbraw/zinc/06/41/46/354064146.db2.gz KUJCEOURJARHRE-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419587174 354065011 /nfs/dbraw/zinc/06/50/11/354065011.db2.gz NMKOPTHZAWGCKI-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419596377 354065041 /nfs/dbraw/zinc/06/50/41/354065041.db2.gz YADWEWAPNASUBV-STQMWFEESA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[N@H+](C)C1CC1 ZINC000419594221 354065077 /nfs/dbraw/zinc/06/50/77/354065077.db2.gz UNRBEROGFKKYCA-QWRGUYRKSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]CC1)[N@H+](C)C1CC1 ZINC000419587180 354065118 /nfs/dbraw/zinc/06/51/18/354065118.db2.gz NNDAUNXSFWZVJU-JTQLQIEISA-N 2 0 268.361 -0.983 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC[NH2+]C ZINC000419587025 354065363 /nfs/dbraw/zinc/06/53/63/354065363.db2.gz NDWLIVAMVQUVPU-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@H+](C)C1CC1 ZINC000419594765 354065655 /nfs/dbraw/zinc/06/56/55/354065655.db2.gz VGYBAVNELRRGGM-SDDRHHMPSA-N 2 0 294.399 -0.737 20 0 CBADRP CC(C)(CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)C[NH+]1CCCC1 ZINC000419667011 354068055 /nfs/dbraw/zinc/06/80/55/354068055.db2.gz RJKBOPNVWGIRSM-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP CC(C)(CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000419661042 354068261 /nfs/dbraw/zinc/06/82/61/354068261.db2.gz DPIPLSHWOZDGMS-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419697460 354069752 /nfs/dbraw/zinc/06/97/52/354069752.db2.gz QRVYOISSEHWVQX-NWDGAFQWSA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419692795 354070358 /nfs/dbraw/zinc/07/03/58/354070358.db2.gz HLEZWZKZQZUNAD-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419874072 354088159 /nfs/dbraw/zinc/08/81/59/354088159.db2.gz VTYOVNXIVBLYMH-LBPRGKRZSA-N 2 0 282.388 -0.608 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419720511 354072319 /nfs/dbraw/zinc/07/23/19/354072319.db2.gz FOWXXPCMRPQFPG-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000419721357 354073110 /nfs/dbraw/zinc/07/31/10/354073110.db2.gz GXXPLKVZDRHPQI-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419729700 354073829 /nfs/dbraw/zinc/07/38/29/354073829.db2.gz IOBDPETYRDZICV-SNVBAGLBSA-N 2 0 256.350 -0.996 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419736767 354073870 /nfs/dbraw/zinc/07/38/70/354073870.db2.gz SFICDXOIPRTRKT-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000419729674 354073883 /nfs/dbraw/zinc/07/38/83/354073883.db2.gz IIPUMQPGCFBFKT-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000419740893 354074802 /nfs/dbraw/zinc/07/48/02/354074802.db2.gz YOJXXTFHFDGDTE-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000419766548 354075586 /nfs/dbraw/zinc/07/55/86/354075586.db2.gz RMTGJLSAXUNMAS-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419763139 354075696 /nfs/dbraw/zinc/07/56/96/354075696.db2.gz NEHFBOLTFWCFTH-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419766146 354075769 /nfs/dbraw/zinc/07/57/69/354075769.db2.gz RAGDHZBFFVZGLF-GFCCVEGCSA-N 2 0 286.420 -0.066 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419765193 354075809 /nfs/dbraw/zinc/07/58/09/354075809.db2.gz QCCYUKISHUFXHV-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419770359 354076383 /nfs/dbraw/zinc/07/63/83/354076383.db2.gz WWIKEQQORRPBSR-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419769841 354076517 /nfs/dbraw/zinc/07/65/17/354076517.db2.gz WFPAWDBKFQHHPV-UHFFFAOYSA-N 2 0 296.415 -0.130 20 0 CBADRP CC(C)[NH+](CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)C(C)C ZINC000419798720 354078318 /nfs/dbraw/zinc/07/83/18/354078318.db2.gz YDIPOGQSWYNMPB-GFCCVEGCSA-N 2 0 284.404 -0.219 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419786298 354078516 /nfs/dbraw/zinc/07/85/16/354078516.db2.gz URCWIMLFMYBQPY-NEPJUHHUSA-N 2 0 286.420 -0.068 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000419787952 354078673 /nfs/dbraw/zinc/07/86/73/354078673.db2.gz YPASBRGBCMJOOD-VXGBXAGGSA-N 2 0 286.420 -0.053 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419823038 354080424 /nfs/dbraw/zinc/08/04/24/354080424.db2.gz PQQJUWJPGFFAQX-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCCC[NH3+] ZINC000419831121 354081224 /nfs/dbraw/zinc/08/12/24/354081224.db2.gz LITWJYBNGDMBOC-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)C[NH+]1CCCC1 ZINC000419830619 354081476 /nfs/dbraw/zinc/08/14/76/354081476.db2.gz QRFBYNWYMRVZAS-DGCLKSJQSA-N 2 0 296.415 -0.312 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419836374 354082385 /nfs/dbraw/zinc/08/23/85/354082385.db2.gz BMNXUVMQRHSYGL-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC[NH2+]1 ZINC000419836262 354082516 /nfs/dbraw/zinc/08/25/16/354082516.db2.gz VMSPQGRKRBVGKP-AVGNSLFASA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)C[NH+]1CCCC1 ZINC000419838231 354082524 /nfs/dbraw/zinc/08/25/24/354082524.db2.gz XNMOTWSSNAXGJY-DGCLKSJQSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C[NH+]1CCCC1 ZINC000419839949 354082869 /nfs/dbraw/zinc/08/28/69/354082869.db2.gz ZAXFEOSOBWBLEY-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419841722 354083360 /nfs/dbraw/zinc/08/33/60/354083360.db2.gz ACWBLQMVRLVNDX-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP [NH3+]CCNC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000419844535 354083769 /nfs/dbraw/zinc/08/37/69/354083769.db2.gz ZKSDWJWVCILSAP-UHFFFAOYSA-N 2 0 296.415 -0.214 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000419846512 354083850 /nfs/dbraw/zinc/08/38/50/354083850.db2.gz QBDSWSHBWFEGTC-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419857504 354085360 /nfs/dbraw/zinc/08/53/60/354085360.db2.gz GJNXCTTZXQOUBL-GFCCVEGCSA-N 2 0 296.415 -0.217 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419865018 354086065 /nfs/dbraw/zinc/08/60/65/354086065.db2.gz PBMCAAUHSKCSGW-DGCLKSJQSA-N 2 0 296.415 -0.360 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419861718 354086545 /nfs/dbraw/zinc/08/65/45/354086545.db2.gz MIONEGYMQDDNKF-LBPRGKRZSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]C)C1 ZINC000419862428 354086702 /nfs/dbraw/zinc/08/67/02/354086702.db2.gz BLNODZSJXJBKGF-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000419293035 354044160 /nfs/dbraw/zinc/04/41/60/354044160.db2.gz ZWWUBCBHIAGENS-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419291807 354044695 /nfs/dbraw/zinc/04/46/95/354044695.db2.gz XOAJKPKKQNZXPB-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000419316100 354045555 /nfs/dbraw/zinc/04/55/55/354045555.db2.gz KTBXANSCTJLDIR-WDEREUQCSA-N 2 0 280.372 -0.840 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000419316097 354045610 /nfs/dbraw/zinc/04/56/10/354045610.db2.gz KTBXANSCTJLDIR-GHMZBOCLSA-N 2 0 280.372 -0.840 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419311121 354045719 /nfs/dbraw/zinc/04/57/19/354045719.db2.gz BCXSUIHXDHHMMA-WQAKAFBOSA-N 2 0 294.399 -0.561 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C[N@@H+]1C1CC1 ZINC000419316926 354045915 /nfs/dbraw/zinc/04/59/15/354045915.db2.gz MJDWSOAKMJBNEO-IRUJWGPZSA-N 2 0 294.399 -0.419 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000419316848 354046012 /nfs/dbraw/zinc/04/60/12/354046012.db2.gz LXEHMBMZEJJGSG-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000419341349 354046860 /nfs/dbraw/zinc/04/68/60/354046860.db2.gz YLVLSVPHWYSYLU-AAEUAGOBSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000419340844 354046905 /nfs/dbraw/zinc/04/69/05/354046905.db2.gz XOBYDFUOIPDBHC-CYZMBNFOSA-N 2 0 296.415 -0.315 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000419340845 354047578 /nfs/dbraw/zinc/04/75/78/354047578.db2.gz XOBYDFUOIPDBHC-RAIGVLPGSA-N 2 0 296.415 -0.315 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000419407659 354050865 /nfs/dbraw/zinc/05/08/65/354050865.db2.gz KSVACDBDJJNIQT-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000419403093 354051055 /nfs/dbraw/zinc/05/10/55/354051055.db2.gz DJCHQPCXWWEOII-LBPRGKRZSA-N 2 0 282.388 -0.606 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000419405145 354051591 /nfs/dbraw/zinc/05/15/91/354051591.db2.gz HHUMVPQKRCSBEV-CYBMUJFWSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419415096 354052371 /nfs/dbraw/zinc/05/23/71/354052371.db2.gz FUAJRLZFTCBJDR-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000419415012 354052381 /nfs/dbraw/zinc/05/23/81/354052381.db2.gz FPJUNQHRHSZHLS-STQMWFEESA-N 2 0 298.431 -0.194 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000419419088 354053538 /nfs/dbraw/zinc/05/35/38/354053538.db2.gz YVRZDFDOABPREJ-QWHCGFSZSA-N 2 0 298.431 -0.066 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000419416081 354053588 /nfs/dbraw/zinc/05/35/88/354053588.db2.gz VVBNVHRJVHTSMU-UHFFFAOYSA-N 2 0 270.377 -0.748 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419415203 354053778 /nfs/dbraw/zinc/05/37/78/354053778.db2.gz UWVHNXZSZYVUNN-NEPJUHHUSA-N 2 0 284.404 -0.455 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419428885 354054470 /nfs/dbraw/zinc/05/44/70/354054470.db2.gz UCCMAUIFCFXCQF-YPMHNXCESA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419431704 354054693 /nfs/dbraw/zinc/05/46/93/354054693.db2.gz XRQHWJFYUAHUSQ-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H](C)CC[NH3+])C1CC1 ZINC000419501126 354056876 /nfs/dbraw/zinc/05/68/76/354056876.db2.gz ASAMSSAXOWBLBX-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCC(C)(C)[NH3+])C1CC1 ZINC000419520222 354057111 /nfs/dbraw/zinc/05/71/11/354057111.db2.gz HENBYFFJTLZXKM-UHFFFAOYSA-N 2 0 270.377 -0.560 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419520923 354057654 /nfs/dbraw/zinc/05/76/54/354057654.db2.gz IWBQOZPQTWZMEG-GRYCIOLGSA-N 2 0 284.404 -0.362 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)C1CC1 ZINC000419526494 354058047 /nfs/dbraw/zinc/05/80/47/354058047.db2.gz TYBXUERSPJXXQZ-NSHDSACASA-N 2 0 282.388 -0.593 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419524915 354058216 /nfs/dbraw/zinc/05/82/16/354058216.db2.gz QOOUDQLKLBAORZ-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419526144 354058487 /nfs/dbraw/zinc/05/84/87/354058487.db2.gz SOLLZZAGGNCAIG-ZJUUUORDSA-N 2 0 258.366 -0.704 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419527012 354058521 /nfs/dbraw/zinc/05/85/21/354058521.db2.gz URIARJDIFFLSSE-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1)C1CC1 ZINC000419524515 354058752 /nfs/dbraw/zinc/05/87/52/354058752.db2.gz PXJBHOHSFVXLHY-JTQLQIEISA-N 2 0 268.361 -0.854 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000419526354 354058789 /nfs/dbraw/zinc/05/87/89/354058789.db2.gz STNRKFGXZFICAX-AVGNSLFASA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000419537207 354059783 /nfs/dbraw/zinc/05/97/83/354059783.db2.gz CKPLFTKTPDJIRJ-RYUDHWBXSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000419543211 354059841 /nfs/dbraw/zinc/05/98/41/354059841.db2.gz GAVMAUSIXHUXIL-GRYCIOLGSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CC1)C(C)(C)C[NH+](C)C ZINC000419548532 354060266 /nfs/dbraw/zinc/06/02/66/354060266.db2.gz RLYZUGQXTVKOCO-ZYHUDNBSSA-N 2 0 298.431 -0.068 20 0 CBADRP C[C@@H](NC(=O)C(=O)N1CC[NH2+]CC1)C(C)(C)C[NH+](C)C ZINC000419547343 354060544 /nfs/dbraw/zinc/06/05/44/354060544.db2.gz PJBATWQASFCZIT-LLVKDONJSA-N 2 0 284.404 -0.489 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000419548215 354060598 /nfs/dbraw/zinc/06/05/98/354060598.db2.gz RDFVMSNPXNKLTI-JTQLQIEISA-N 2 0 272.393 -0.586 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)[C@@H](C)C[NH2+]1 ZINC000419561177 354061112 /nfs/dbraw/zinc/06/11/12/354061112.db2.gz SDIJXRQLGMXKDI-MROQNXINSA-N 2 0 296.415 -0.206 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000419561421 354061190 /nfs/dbraw/zinc/06/11/90/354061190.db2.gz SJSUVALIUJGZRR-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000419554680 354061493 /nfs/dbraw/zinc/06/14/93/354061493.db2.gz ICLKTGHIIQVXRG-IJLUTSLNSA-N 2 0 282.388 -0.594 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000419889558 354089739 /nfs/dbraw/zinc/08/97/39/354089739.db2.gz LDTHJKGAPCWHRL-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419883835 354089884 /nfs/dbraw/zinc/08/98/84/354089884.db2.gz FADSLASLKPYDKN-NSHDSACASA-N 2 0 282.388 -0.593 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000419897661 354091631 /nfs/dbraw/zinc/09/16/31/354091631.db2.gz AMFFVMOHEHMUNS-UHFFFAOYSA-N 2 0 286.420 -0.099 20 0 CBADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419932020 354094615 /nfs/dbraw/zinc/09/46/15/354094615.db2.gz DECYIKQBQGCQDF-RYUDHWBXSA-N 2 0 286.420 -0.195 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419937173 354094635 /nfs/dbraw/zinc/09/46/35/354094635.db2.gz MMORDWMPFRHXMU-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000419953626 354096558 /nfs/dbraw/zinc/09/65/58/354096558.db2.gz LECPWBXQMQXEMP-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000419956146 354097508 /nfs/dbraw/zinc/09/75/08/354097508.db2.gz SFLNQPJLEAMTOB-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000419964378 354098014 /nfs/dbraw/zinc/09/80/14/354098014.db2.gz XHGINQWMSUHSML-STQMWFEESA-N 2 0 298.431 -0.064 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000419974538 354099206 /nfs/dbraw/zinc/09/92/06/354099206.db2.gz JPWBYUMABXRXNM-AVGNSLFASA-N 2 0 298.431 -0.197 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000419978166 354099600 /nfs/dbraw/zinc/09/96/00/354099600.db2.gz NUVZWBIOISDFON-SDDRHHMPSA-N 2 0 284.404 -0.633 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000420020994 354103406 /nfs/dbraw/zinc/10/34/06/354103406.db2.gz GRGPEWNTXIFGKK-IJLUTSLNSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000420035470 354104037 /nfs/dbraw/zinc/10/40/37/354104037.db2.gz YTIMUTAQMWYWAL-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000420030567 354104257 /nfs/dbraw/zinc/10/42/57/354104257.db2.gz QAPCQAZUFINYDW-NSHDSACASA-N 2 0 296.371 -0.367 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000420034684 354104269 /nfs/dbraw/zinc/10/42/69/354104269.db2.gz XUUOQITVLQLBSH-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000420032454 354104293 /nfs/dbraw/zinc/10/42/93/354104293.db2.gz ULKBQOLKTSYIQA-JTQLQIEISA-N 2 0 258.366 -0.702 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000420034773 354104343 /nfs/dbraw/zinc/10/43/43/354104343.db2.gz JPJYHUGPNAQKCR-CHWSQXEVSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420040490 354105070 /nfs/dbraw/zinc/10/50/70/354105070.db2.gz OXQSWGLBEXBZFI-NWDGAFQWSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000420053349 354105379 /nfs/dbraw/zinc/10/53/79/354105379.db2.gz XNOIKAVTYIGODP-AGIUHOORSA-N 2 0 296.415 -0.217 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420058724 354106153 /nfs/dbraw/zinc/10/61/53/354106153.db2.gz OMBBQJGQQBEJME-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420062599 354106586 /nfs/dbraw/zinc/10/65/86/354106586.db2.gz TVAZOSBTYZPPNV-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000420089186 354108519 /nfs/dbraw/zinc/10/85/19/354108519.db2.gz JLBOBSOSUFTGDS-GFCCVEGCSA-N 2 0 296.415 -0.075 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000420124934 354110149 /nfs/dbraw/zinc/11/01/49/354110149.db2.gz SIWKCZYDTUFKTK-STQMWFEESA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000420124931 354110248 /nfs/dbraw/zinc/11/02/48/354110248.db2.gz SIWKCZYDTUFKTK-OLZOCXBDSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000420149331 354112691 /nfs/dbraw/zinc/11/26/91/354112691.db2.gz VBLRUGPFNZZIAN-QWRGUYRKSA-N 2 0 270.377 -0.879 20 0 CBADRP O=C1CNCCN1[C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420309640 354123052 /nfs/dbraw/zinc/12/30/52/354123052.db2.gz OYEZOYFQLLKQBE-KBPBESRZSA-N 2 0 280.416 -0.118 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420317616 354123182 /nfs/dbraw/zinc/12/31/82/354123182.db2.gz ZQXVVDSGACSNAA-GHMZBOCLSA-N 2 0 271.361 -0.323 20 0 CBADRP C[C@@H]1CCN(CCC(=O)N2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000420333986 354124398 /nfs/dbraw/zinc/12/43/98/354124398.db2.gz KOXOQZAQMSYFEX-CHWSQXEVSA-N 2 0 268.405 -0.133 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420398981 354126354 /nfs/dbraw/zinc/12/63/54/354126354.db2.gz HHVQUHWDNLEHDG-VXGBXAGGSA-N 2 0 285.388 -0.075 20 0 CBADRP O=C(C(=O)N1CC[NH2+]CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000423201855 354165698 /nfs/dbraw/zinc/16/56/98/354165698.db2.gz PYGDAFNIUJDAKX-CYBMUJFWSA-N 2 0 294.399 -0.495 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423203022 354165750 /nfs/dbraw/zinc/16/57/50/354165750.db2.gz BSADKDSMULVBET-GFCCVEGCSA-N 2 0 282.388 -0.510 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000423244837 354166031 /nfs/dbraw/zinc/16/60/31/354166031.db2.gz XVICFUXDVJHRHN-RYUDHWBXSA-N 2 0 282.388 -0.641 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000423244835 354166054 /nfs/dbraw/zinc/16/60/54/354166054.db2.gz XVICFUXDVJHRHN-NEPJUHHUSA-N 2 0 282.388 -0.641 20 0 CBADRP CN(C(=O)C(=O)N1CC[NH2+]CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000423274293 354166626 /nfs/dbraw/zinc/16/66/26/354166626.db2.gz LUDWZGQOPGYTJY-LBPRGKRZSA-N 2 0 280.372 -0.887 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423294918 354166814 /nfs/dbraw/zinc/16/68/14/354166814.db2.gz VPVKRPWJFPGJFQ-OLZOCXBDSA-N 2 0 296.415 -0.121 20 0 CBADRP CC[NH+](CC)CCCNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000423297609 354167409 /nfs/dbraw/zinc/16/74/09/354167409.db2.gz KZURHIUYQQLCPM-JTQLQIEISA-N 2 0 259.350 -0.275 20 0 CBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000423483650 354177843 /nfs/dbraw/zinc/17/78/43/354177843.db2.gz SRKHBBCMJLFLRE-NEPJUHHUSA-N 2 0 255.362 -0.051 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000423494399 354177939 /nfs/dbraw/zinc/17/79/39/354177939.db2.gz DDPPPZRZQZGLGA-GFCCVEGCSA-N 2 0 284.404 -0.395 20 0 CBADRP CN(C)CC[NH+]1CCC(CNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000423368311 354172669 /nfs/dbraw/zinc/17/26/69/354172669.db2.gz RVIWNERXPYTZQV-UHFFFAOYSA-N 2 0 282.432 -0.014 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423427324 354175481 /nfs/dbraw/zinc/17/54/81/354175481.db2.gz IQZPPIWQHKYAST-LBPRGKRZSA-N 2 0 284.404 -0.264 20 0 CBADRP CC1(C(=O)N2CC[NH+](C3CCOCC3)CC2)C[NH2+]C1 ZINC000423417212 354175774 /nfs/dbraw/zinc/17/57/74/354175774.db2.gz FDDGDEMGGZBRTM-UHFFFAOYSA-N 2 0 267.373 -0.081 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000423446770 354176645 /nfs/dbraw/zinc/17/66/45/354176645.db2.gz ZBVWSQDURAZNFI-JTQLQIEISA-N 2 0 259.350 -0.275 20 0 CBADRP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH+](C)[C@@H]2C)C1 ZINC000422422746 354147338 /nfs/dbraw/zinc/14/73/38/354147338.db2.gz GNXMTYFKXKFFOS-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP CN1CCN(C(=O)CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422714152 354151581 /nfs/dbraw/zinc/15/15/81/354151581.db2.gz KSJCYBFJVSZBKM-CHWSQXEVSA-N 2 0 268.405 -0.133 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000422976086 354158513 /nfs/dbraw/zinc/15/85/13/354158513.db2.gz UOEAJAOOHOKFST-NEPJUHHUSA-N 2 0 282.388 -0.608 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000422976250 354159306 /nfs/dbraw/zinc/15/93/06/354159306.db2.gz UTNHDIFHVZDZES-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000423062408 354161884 /nfs/dbraw/zinc/16/18/84/354161884.db2.gz MXCKLMZUTXKVNS-ZDUSSCGKSA-N 2 0 298.431 -0.147 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423123415 354162253 /nfs/dbraw/zinc/16/22/53/354162253.db2.gz MPZXVGILFGMORS-LBPRGKRZSA-N 2 0 282.388 -0.782 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000423164761 354163719 /nfs/dbraw/zinc/16/37/19/354163719.db2.gz ACKWGBKZWHAENY-ZDUSSCGKSA-N 2 0 296.415 -0.120 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C(C)C)C1 ZINC000423517936 354178790 /nfs/dbraw/zinc/17/87/90/354178790.db2.gz USCLLTKQOQMKNX-GFCCVEGCSA-N 2 0 284.404 -0.395 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000423511225 354178870 /nfs/dbraw/zinc/17/88/70/354178870.db2.gz KCIXOXNKFQGHNX-LBPRGKRZSA-N 2 0 273.377 -0.552 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423516923 354178910 /nfs/dbraw/zinc/17/89/10/354178910.db2.gz HHCPGLZRQIGKIU-NSHDSACASA-N 2 0 282.388 -0.511 20 0 CBADRP CC(C)NC(=O)CN(C)CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000423558218 354179938 /nfs/dbraw/zinc/17/99/38/354179938.db2.gz LBAKXSMYEZRJNW-RYUDHWBXSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C[C@@H](C)[NH2+]1 ZINC000423568192 354180641 /nfs/dbraw/zinc/18/06/41/354180641.db2.gz RMLJKZSYLLZMHQ-JHJVBQTASA-N 2 0 296.415 -0.395 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000423601828 354182655 /nfs/dbraw/zinc/18/26/55/354182655.db2.gz ZVTQLWCHAILRPE-JHJVBQTASA-N 2 0 296.415 -0.267 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000423607511 354183826 /nfs/dbraw/zinc/18/38/26/354183826.db2.gz MVECDMDLWUEFFJ-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000423611651 354185045 /nfs/dbraw/zinc/18/50/45/354185045.db2.gz SLRQSQKBLBUBOY-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000423634290 354186760 /nfs/dbraw/zinc/18/67/60/354186760.db2.gz QMJJOZTUZNVHJG-XQHKEYJVSA-N 2 0 296.415 -0.254 20 0 CBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423654846 354189551 /nfs/dbraw/zinc/18/95/51/354189551.db2.gz UDUPEIHWFYEUIK-CYBMUJFWSA-N 2 0 296.415 -0.120 20 0 CBADRP CCN1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000423667687 354190442 /nfs/dbraw/zinc/19/04/42/354190442.db2.gz JJEPADHDAHYNLN-VXGBXAGGSA-N 2 0 282.388 -0.654 20 0 CBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000423739494 354196119 /nfs/dbraw/zinc/19/61/19/354196119.db2.gz FXWBOGGKZPGPKD-ZIAGYGMSSA-N 2 0 299.415 -0.066 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000423745804 354196303 /nfs/dbraw/zinc/19/63/03/354196303.db2.gz OLQHHFKZUWVPJG-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@@H]1CN(CCN(C)C(=O)C[C@@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000423756465 354197544 /nfs/dbraw/zinc/19/75/44/354197544.db2.gz BHSRSWXOJHDRTK-HZSPNIEDSA-N 2 0 299.415 -0.068 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000423749152 354197562 /nfs/dbraw/zinc/19/75/62/354197562.db2.gz VMQWYYRZHDVAJS-GFCCVEGCSA-N 2 0 273.377 -0.599 20 0 CBADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000423766831 354198454 /nfs/dbraw/zinc/19/84/54/354198454.db2.gz CYHWWRZJDXRZBO-QJPTWQEYSA-N 2 0 257.378 -0.054 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000423807136 354200333 /nfs/dbraw/zinc/20/03/33/354200333.db2.gz VIWHEOCVSZTRNA-FRRDWIJNSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000423975577 354205997 /nfs/dbraw/zinc/20/59/97/354205997.db2.gz DPNMJFBCIWYNPY-SRVKXCTJSA-N 2 0 282.388 -0.655 20 0 CBADRP [NH3+][C@H]1Cc2ccccc2N(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000424073769 354208030 /nfs/dbraw/zinc/20/80/30/354208030.db2.gz IKWUUBXGFKXSCN-AAEUAGOBSA-N 2 0 261.325 -0.109 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424057889 354208113 /nfs/dbraw/zinc/20/81/13/354208113.db2.gz KHTBXBNZXGRBOM-NXEZZACHSA-N 2 0 263.345 -0.032 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424055805 354208134 /nfs/dbraw/zinc/20/81/34/354208134.db2.gz FSHAGZQBHACNBE-QWRGUYRKSA-N 2 0 278.360 -0.364 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]C1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424059153 354208215 /nfs/dbraw/zinc/20/82/15/354208215.db2.gz MTMNSOBIXXGMGD-VXGBXAGGSA-N 2 0 292.387 -0.068 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424078110 354208919 /nfs/dbraw/zinc/20/89/19/354208919.db2.gz PPTXETCLXJQIDP-RYUDHWBXSA-N 2 0 292.387 -0.068 20 0 CBADRP [NH3+]C[C@@H](NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)C1CC1 ZINC000424084399 354208944 /nfs/dbraw/zinc/20/89/44/354208944.db2.gz YGQLUSZMBYGPKM-GHMZBOCLSA-N 2 0 278.360 -0.330 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424082111 354208950 /nfs/dbraw/zinc/20/89/50/354208950.db2.gz VTVMANATALBISB-WDEREUQCSA-N 2 0 280.376 -0.212 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000424155731 354212450 /nfs/dbraw/zinc/21/24/50/354212450.db2.gz ODILOEWYXXCGEP-GRYCIOLGSA-N 2 0 253.346 -0.486 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424165583 354213243 /nfs/dbraw/zinc/21/32/43/354213243.db2.gz GBRNQCUHQISLSN-ZJUUUORDSA-N 2 0 266.349 -0.460 20 0 CBADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000424173037 354213676 /nfs/dbraw/zinc/21/36/76/354213676.db2.gz KZQHADMKRDPTST-CQSZACIVSA-N 2 0 292.383 -0.040 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)COC2C[NH2+]C2)C1 ZINC000430763924 354250941 /nfs/dbraw/zinc/25/09/41/354250941.db2.gz OZEYMPHHPNCUMH-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000431032843 354251681 /nfs/dbraw/zinc/25/16/81/354251681.db2.gz FBWGJPMIAHJGCB-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH2+]CCC1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000444262784 354266546 /nfs/dbraw/zinc/26/65/46/354266546.db2.gz KRMPCVZVWLVVPO-GFCCVEGCSA-N 2 0 255.362 -0.177 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444174533 354263081 /nfs/dbraw/zinc/26/30/81/354263081.db2.gz HDDRIJNSMANZCX-SLEUVZQESA-N 2 0 294.399 -0.558 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424231190 354220375 /nfs/dbraw/zinc/22/03/75/354220375.db2.gz GACIUBZTQRYQKB-TUAOUCFPSA-N 2 0 265.361 -0.344 20 0 CBADRP CC(C)[C@H](C[NH3+])C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424223612 354220508 /nfs/dbraw/zinc/22/05/08/354220508.db2.gz IERPUZINKGHASN-RWMBFGLXSA-N 2 0 279.388 -0.096 20 0 CBADRP C[C@H]1CC2(CN1C(=O)COC1C[NH2+]C1)CC[NH2+]CC2 ZINC000424226347 354220594 /nfs/dbraw/zinc/22/05/94/354220594.db2.gz RNIZUGMSUFIEOU-NSHDSACASA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424484121 354226595 /nfs/dbraw/zinc/22/65/95/354226595.db2.gz ZSIKFYZANPXDAB-WCFLWFBJSA-N 2 0 294.403 -0.288 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446361985 354286771 /nfs/dbraw/zinc/28/67/71/354286771.db2.gz DTPAGPRAECQGDO-GRYCIOLGSA-N 2 0 272.368 -0.562 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000447436578 354298912 /nfs/dbraw/zinc/29/89/12/354298912.db2.gz ADOBDMVSULDHMT-USWWRNFRSA-N 2 0 255.362 -0.051 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000444271828 354267368 /nfs/dbraw/zinc/26/73/68/354267368.db2.gz ZZTWACJCMKIYHL-ZFWWWQNUSA-N 2 0 280.416 -0.260 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444266213 354267425 /nfs/dbraw/zinc/26/74/25/354267425.db2.gz IHTZXXZOWKYRQM-VXGBXAGGSA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000449703047 354321753 /nfs/dbraw/zinc/32/17/53/354321753.db2.gz VOMQMMWYFGYWNY-FRRDWIJNSA-N 2 0 268.405 -0.121 20 0 CBADRP CCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000489475954 354433137 /nfs/dbraw/zinc/43/31/37/354433137.db2.gz KJFFHODRGTUIMC-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP CN(CC[NH+](C)C)C(=O)NCCOCC[NH+](C)C ZINC000471656318 354402239 /nfs/dbraw/zinc/40/22/39/354402239.db2.gz BKXDGKKIAIGNPK-UHFFFAOYSA-N 2 0 260.382 -0.232 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000487190240 354412957 /nfs/dbraw/zinc/41/29/57/354412957.db2.gz QXDUTYVQOIOGOG-NWDGAFQWSA-N 2 0 257.378 -0.386 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCOCC[NH+](C)C ZINC000487237214 354413021 /nfs/dbraw/zinc/41/30/21/354413021.db2.gz XWPBJUCBFSYDTH-NWDGAFQWSA-N 2 0 257.378 -0.122 20 0 CBADRP C[C@@H]1CN(CCNC(=O)/C=C\C[NH+](C)C)CCO1 ZINC000491869346 354461675 /nfs/dbraw/zinc/46/16/75/354461675.db2.gz NHZANNYWTPIJPS-QMAVJUDZSA-N 2 0 255.362 -0.059 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000494891897 354496156 /nfs/dbraw/zinc/49/61/56/354496156.db2.gz RDEOAOKZUYTGMJ-KGLIPLIRSA-N 2 0 280.416 -0.166 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000515520879 354555953 /nfs/dbraw/zinc/55/59/53/354555953.db2.gz BEUBQULZEVTXJI-NWDGAFQWSA-N 2 0 271.409 -0.389 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000519403081 354560773 /nfs/dbraw/zinc/56/07/73/354560773.db2.gz PXIAKVYYYBICNC-NWDGAFQWSA-N 2 0 253.346 -0.282 20 0 CBADRP C[NH2+]CCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000519398356 354560808 /nfs/dbraw/zinc/56/08/08/354560808.db2.gz UEDROHXXRAJROZ-LLVKDONJSA-N 2 0 251.334 -0.243 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000519543817 354562239 /nfs/dbraw/zinc/56/22/39/354562239.db2.gz NFVMNULNTQGVJG-OLZOCXBDSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@H](C)C1 ZINC000519548882 354563699 /nfs/dbraw/zinc/56/36/99/354563699.db2.gz MWJJPCOUFHHCEY-XQQFMLRXSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CCCC[C@@H]2O)CC1 ZINC000519609853 354564673 /nfs/dbraw/zinc/56/46/73/354564673.db2.gz QEQIITURSJJDOS-ILXRZTDVSA-N 2 0 285.432 -0.265 20 0 CBADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC[NH2+]3)C2)CC1 ZINC000520576757 354568431 /nfs/dbraw/zinc/56/84/31/354568431.db2.gz UHOVDXJFALKGBA-UONOGXRCSA-N 2 0 280.416 -0.025 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000529308284 354583398 /nfs/dbraw/zinc/58/33/98/354583398.db2.gz DTYYGTXDCQIXSE-NSHDSACASA-N 2 0 270.377 -0.112 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000529309033 354583808 /nfs/dbraw/zinc/58/38/08/354583808.db2.gz XSEGAETUCOGANK-UONOGXRCSA-N 2 0 297.447 -0.128 20 0 CBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529388453 354585121 /nfs/dbraw/zinc/58/51/21/354585121.db2.gz OQPDEGUJEUCEAS-OUAUKWLOSA-N 2 0 256.350 -0.647 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)[C@H](C)C[NH2+]1 ZINC000529390505 354585411 /nfs/dbraw/zinc/58/54/11/354585411.db2.gz VGEKUOLBEOWXNJ-GMTAPVOTSA-N 2 0 256.350 -0.633 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529391130 354586137 /nfs/dbraw/zinc/58/61/37/354586137.db2.gz YASUIPAOBHLBHW-DCAQKATOSA-N 2 0 256.350 -0.647 20 0 CBADRP C[NH2+]C[C@H](O)C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000496843210 354550790 /nfs/dbraw/zinc/55/07/90/354550790.db2.gz AFSUUMCUCRGPCN-GXFFZTMASA-N 2 0 291.392 -0.568 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000545176901 354644421 /nfs/dbraw/zinc/64/44/21/354644421.db2.gz WHLTTYNYZALRQF-HNNXBMFYSA-N 2 0 296.415 -0.021 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000546590488 354653238 /nfs/dbraw/zinc/65/32/38/354653238.db2.gz BXFBFWMGJTWCQE-SWLSCSKDSA-N 2 0 296.415 -0.164 20 0 CBADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CC1)C(=O)NCC[NH+](C)C ZINC000556901333 354683220 /nfs/dbraw/zinc/68/32/20/354683220.db2.gz MMNRTAUUZIGFHU-DGCLKSJQSA-N 2 0 296.415 -0.204 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000557242094 354685745 /nfs/dbraw/zinc/68/57/45/354685745.db2.gz ZWVRGSMTOWWWKY-UONOGXRCSA-N 2 0 297.447 -0.127 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000557248958 354685815 /nfs/dbraw/zinc/68/58/15/354685815.db2.gz YHCWNFRQMJGFOZ-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP COC[C@@]1(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])CCC[NH2+]1 ZINC000562815804 354688439 /nfs/dbraw/zinc/68/84/39/354688439.db2.gz BFHSNTYVUDCHCD-OCCSQVGLSA-N 2 0 299.419 -0.961 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000562977894 354690631 /nfs/dbraw/zinc/69/06/31/354690631.db2.gz QWXNRYCOBOCGFF-NSHDSACASA-N 2 0 280.376 -0.255 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000562977686 354690901 /nfs/dbraw/zinc/69/09/01/354690901.db2.gz GNCAHBKPSPVXCA-LBPRGKRZSA-N 2 0 293.371 -0.254 20 0 CBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)[NH2+]C)C2)CC1 ZINC000565212567 354732006 /nfs/dbraw/zinc/73/20/06/354732006.db2.gz ILASMBBDPRNWOE-QWHCGFSZSA-N 2 0 268.405 -0.167 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000563103331 354696999 /nfs/dbraw/zinc/69/69/99/354696999.db2.gz GOBZZJMHFYMUJM-UTLUCORTSA-N 2 0 255.318 -0.770 20 0 CBADRP CC(C)(C[NH3+])NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000563141489 354698883 /nfs/dbraw/zinc/69/88/83/354698883.db2.gz HEJNMUBEAIITSM-MRVPVSSYSA-N 2 0 251.334 -0.046 20 0 CBADRP O=C(CCN1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CC[NH2+]CC1 ZINC000563150065 354700034 /nfs/dbraw/zinc/70/00/34/354700034.db2.gz XUJKQVBOCLJHOU-QWHCGFSZSA-N 2 0 266.389 -0.650 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000563160531 354701075 /nfs/dbraw/zinc/70/10/75/354701075.db2.gz VKJGXWBXADEVLF-SCRDCRAPSA-N 2 0 298.431 -0.116 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)CCC1CC[NH2+]CC1 ZINC000563957857 354709293 /nfs/dbraw/zinc/70/92/93/354709293.db2.gz TVYUCLUICIAWSM-ZDUSSCGKSA-N 2 0 268.405 -0.214 20 0 CBADRP O=C(CCOC1C[NH2+]C1)NCCNc1cc[nH+]cc1 ZINC000564914665 354720084 /nfs/dbraw/zinc/72/00/84/354720084.db2.gz DAWCDFBUELYUFW-UHFFFAOYSA-N 2 0 264.329 -0.590 20 0 CBADRP C[NH2+]CCC1CCN(C(=O)[C@@H]([NH3+])CC(=O)OC)CC1 ZINC000564949661 354722007 /nfs/dbraw/zinc/72/20/07/354722007.db2.gz HASSPQRMHZKWHF-NSHDSACASA-N 2 0 271.361 -0.275 20 0 CBADRP CC[NH+](CC)CCCN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565237006 354733913 /nfs/dbraw/zinc/73/39/13/354733913.db2.gz ASVZBBFHLWWZCQ-CHWSQXEVSA-N 2 0 268.405 -0.038 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H](CO)CC2CCC2)CC1 ZINC000564976611 354723717 /nfs/dbraw/zinc/72/37/17/354723717.db2.gz WBASSMKKKBFBRB-GJZGRUSLSA-N 2 0 285.432 -0.265 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H](CO)CC2CCC2)CC1 ZINC000564976615 354723945 /nfs/dbraw/zinc/72/39/45/354723945.db2.gz WBASSMKKKBFBRB-LSDHHAIUSA-N 2 0 285.432 -0.265 20 0 CBADRP CN(C)C(=O)CC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000564988143 354724975 /nfs/dbraw/zinc/72/49/75/354724975.db2.gz PNSDKNGWDIMTAR-ZDUSSCGKSA-N 2 0 296.415 -0.392 20 0 CBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000564994546 354725675 /nfs/dbraw/zinc/72/56/75/354725675.db2.gz CKTFZNBGTGSSQP-MNOVXSKESA-N 2 0 282.388 -0.499 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)CCCC[NH3+] ZINC000564995914 354725782 /nfs/dbraw/zinc/72/57/82/354725782.db2.gz QDSFOPVPXXEGMI-JQWIXIFHSA-N 2 0 272.393 -0.280 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC000556737240 354681097 /nfs/dbraw/zinc/68/10/97/354681097.db2.gz QJLYXXNGNBTODD-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP CC(C)[C@H](C(=O)NCCN1CC[NH2+]CC1)[C@@H](C)[NH3+] ZINC000565774022 354745945 /nfs/dbraw/zinc/74/59/45/354745945.db2.gz NHWUJCGLDQIGKL-NEPJUHHUSA-N 2 0 256.394 -0.373 20 0 CBADRP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH3+])[C@H]1c1ccccc1 ZINC000418912901 283046049 /nfs/dbraw/zinc/04/60/49/283046049.db2.gz RXIHJFOOFBVPCB-CHWSQXEVSA-N 2 0 290.367 -0.377 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000565832131 354746755 /nfs/dbraw/zinc/74/67/55/354746755.db2.gz NADLBPTWWIBPFI-NSHDSACASA-N 2 0 271.361 -0.323 20 0 CBADRP CN1CCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000565948718 354748652 /nfs/dbraw/zinc/74/86/52/354748652.db2.gz HHVUAAZQAATVMB-PWSUYJOCSA-N 2 0 280.372 -0.901 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC[NH2+]1 ZINC000566090114 354751586 /nfs/dbraw/zinc/75/15/86/354751586.db2.gz HWTOBPCYSSCLOQ-QWHCGFSZSA-N 2 0 294.399 -0.497 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2COCC2(C)C)CC1 ZINC000566064057 354752128 /nfs/dbraw/zinc/75/21/28/354752128.db2.gz XPEUUQZPRSJJRC-STQMWFEESA-N 2 0 271.405 -0.391 20 0 CBADRP COCC1(CNC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000566102141 354752446 /nfs/dbraw/zinc/75/24/46/354752446.db2.gz POPCVKRYYIQBPE-NSHDSACASA-N 2 0 255.362 -0.129 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]([NH3+])CC(=O)OC)C1CC1 ZINC000566157780 354754590 /nfs/dbraw/zinc/75/45/90/354754590.db2.gz VIXNGOZUVJFKJE-JTQLQIEISA-N 2 0 257.334 -0.523 20 0 CBADRP C[C@@H](CNC(=O)[C@H]([NH3+])C1CCC1)N1CC[NH+](C)CC1 ZINC000566177647 354755501 /nfs/dbraw/zinc/75/55/01/354755501.db2.gz LDRSKGVSGKLPLF-WCQYABFASA-N 2 0 268.405 -0.134 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000566206723 354757547 /nfs/dbraw/zinc/75/75/47/354757547.db2.gz JTZVIYAKJQNNAN-ZDCRXTMVSA-N 2 0 269.345 -0.537 20 0 CBADRP CC(C)([NH3+])C[NH2+]CCN1CCN(c2ncccn2)CC1 ZINC000566229746 354758069 /nfs/dbraw/zinc/75/80/69/354758069.db2.gz MMQRVJKDTRXGFF-UHFFFAOYSA-N 2 0 278.404 -0.075 20 0 CBADRP [NH3+]CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000566225470 354758464 /nfs/dbraw/zinc/75/84/64/354758464.db2.gz PLMXVCYKDVWNGL-LBPRGKRZSA-N 3 0 254.378 -0.521 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)nn1 ZINC000566289075 354761955 /nfs/dbraw/zinc/76/19/55/354761955.db2.gz VPPADNRUVFHICC-AAEUAGOBSA-N 2 0 292.387 -0.017 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000566507998 354770120 /nfs/dbraw/zinc/77/01/20/354770120.db2.gz PVQKZXJLKMMGAX-YWVKMMECSA-N 2 0 266.349 -0.647 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000566512071 354770919 /nfs/dbraw/zinc/77/09/19/354770919.db2.gz GOKRTOARIIHJPK-STQMWFEESA-N 2 0 294.399 -0.591 20 0 CBADRP C[NH2+][C@H]1CCCN(C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000566619912 354771658 /nfs/dbraw/zinc/77/16/58/354771658.db2.gz IQEIFDBWFUOAIJ-OLZOCXBDSA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH2+][C@H]1CCCN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000566619914 354771873 /nfs/dbraw/zinc/77/18/73/354771873.db2.gz IQEIFDBWFUOAIJ-STQMWFEESA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000566795411 354775608 /nfs/dbraw/zinc/77/56/08/354775608.db2.gz NZBYNSGQMNVDHC-NEPJUHHUSA-N 2 0 255.362 -0.049 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000566858951 354776379 /nfs/dbraw/zinc/77/63/79/354776379.db2.gz JEXURISTIXVKFE-BBBLOLIVSA-N 2 0 257.334 -0.524 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@@H](C[NH3+])C2CCCC2)nn1 ZINC000566850490 354776474 /nfs/dbraw/zinc/77/64/74/354776474.db2.gz CZNHUAXMXLSGFZ-NSHDSACASA-N 2 0 280.376 -0.126 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C[C@@H](C)[NH2+]1 ZINC000566914042 354777222 /nfs/dbraw/zinc/77/72/22/354777222.db2.gz VYSMFRMPQUPJJG-IJLUTSLNSA-N 2 0 292.387 -0.148 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]C1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000566972601 354777882 /nfs/dbraw/zinc/77/78/82/354777882.db2.gz MDQJIZTVEUACMS-NWDGAFQWSA-N 2 0 292.387 -0.241 20 0 CBADRP CN1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)[C@H](C[NH3+])C1 ZINC000567031379 354779332 /nfs/dbraw/zinc/77/93/32/354779332.db2.gz KDJSPWLUTZKZMY-OLZOCXBDSA-N 2 0 283.420 -0.212 20 0 CBADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000567233930 354783348 /nfs/dbraw/zinc/78/33/48/354783348.db2.gz HKJIAJGKRBSOHS-NWDGAFQWSA-N 2 0 296.415 -0.251 20 0 CBADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000567377116 354786540 /nfs/dbraw/zinc/78/65/40/354786540.db2.gz RESRERRBVJACBC-ZDUSSCGKSA-N 2 0 296.415 -0.168 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000567368496 354786640 /nfs/dbraw/zinc/78/66/40/354786640.db2.gz XXDYZSUZTSCZJL-JHJVBQTASA-N 3 0 266.389 -0.380 20 0 CBADRP C[C@@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])[NH+](C)C ZINC000567478681 354788561 /nfs/dbraw/zinc/78/85/61/354788561.db2.gz NFQRFZOYNDQLEY-WDEREUQCSA-N 2 0 257.382 -0.779 20 0 CBADRP C[N@H+](CCCCNC(=O)C(=O)N[C@H]1CC[NH2+]C1)C1CC1 ZINC000565252505 354734798 /nfs/dbraw/zinc/73/47/98/354734798.db2.gz CSQDJQIZIFEXRO-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000565419923 354737768 /nfs/dbraw/zinc/73/77/68/354737768.db2.gz MWWZOXIFNQBWSG-NEPJUHHUSA-N 2 0 282.388 -0.748 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCOCC[NH+](C)C ZINC000565420713 354737778 /nfs/dbraw/zinc/73/77/78/354737778.db2.gz NIMHGMJDACMPNZ-WDEREUQCSA-N 2 0 260.382 -0.010 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCOCC[NH+](C)C ZINC000565420708 354737832 /nfs/dbraw/zinc/73/78/32/354737832.db2.gz NIMHGMJDACMPNZ-GHMZBOCLSA-N 2 0 260.382 -0.010 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000565716002 354744733 /nfs/dbraw/zinc/74/47/33/354744733.db2.gz YHWYYRRIZYWASE-OLZOCXBDSA-N 2 0 262.357 -0.294 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000565716001 354744808 /nfs/dbraw/zinc/74/48/08/354744808.db2.gz YHWYYRRIZYWASE-CHWSQXEVSA-N 2 0 262.357 -0.294 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)COC1C[NH2+]C1 ZINC000567811717 354798301 /nfs/dbraw/zinc/79/83/01/354798301.db2.gz BFJNDFKLWXMOJZ-ZYHUDNBSSA-N 2 0 255.362 -0.227 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000567822640 354799109 /nfs/dbraw/zinc/79/91/09/354799109.db2.gz HFNSUEPQVIXBCH-CYBMUJFWSA-N 2 0 294.399 -0.449 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000567825567 354799891 /nfs/dbraw/zinc/79/98/91/354799891.db2.gz RIJIYJRWEXXXKV-NSHDSACASA-N 2 0 255.362 -0.083 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000567834878 354799995 /nfs/dbraw/zinc/79/99/95/354799995.db2.gz OKQIWVWOZPTERC-NWDGAFQWSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]CC[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000567888434 354803299 /nfs/dbraw/zinc/80/32/99/354803299.db2.gz FOCOAWUZNPMTRW-ZDUSSCGKSA-N 3 0 268.405 -0.131 20 0 CBADRP C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000567893788 354803551 /nfs/dbraw/zinc/80/35/51/354803551.db2.gz ZMNWASXCDITKOV-AWEZNQCLSA-N 3 0 252.406 -0.033 20 0 CBADRP C[NH2+]CCCN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000567900143 354804171 /nfs/dbraw/zinc/80/41/71/354804171.db2.gz SUONXUCEEYCKQR-GFCCVEGCSA-N 2 0 256.394 -0.085 20 0 CBADRP CC[C@H](CO)[NH+]1CCN(C[C@H](O)C[N@H+](C)CC)CC1 ZINC000568165677 354812404 /nfs/dbraw/zinc/81/24/04/354812404.db2.gz UHUNZDKEUAUYRM-ZIAGYGMSSA-N 2 0 273.421 -0.313 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)C1 ZINC000568211611 354815383 /nfs/dbraw/zinc/81/53/83/354815383.db2.gz CXDSVAHDNKYVDP-BXUZGUMPSA-N 2 0 267.373 -0.489 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568296067 354821717 /nfs/dbraw/zinc/82/17/17/354821717.db2.gz YICVVANITBOGQS-GRYCIOLGSA-N 2 0 295.387 -0.966 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000568389418 354822651 /nfs/dbraw/zinc/82/26/51/354822651.db2.gz IMSNPQPVWFWHBB-ZYHUDNBSSA-N 2 0 255.362 -0.036 20 0 CBADRP C[NH2+][C@@H](C(=O)N1CCC[C@@H]([NH2+]C)C1)c1cnn(C)c1 ZINC000568508769 354825578 /nfs/dbraw/zinc/82/55/78/354825578.db2.gz PPCWIMRSOLKTIH-VXGBXAGGSA-N 2 0 265.361 -0.109 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000568512186 354825700 /nfs/dbraw/zinc/82/57/00/354825700.db2.gz NTUZUZQGBWZEMW-CYBMUJFWSA-N 2 0 271.361 -0.321 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)COC2C[NH2+]C2)CC1 ZINC000568624958 354827520 /nfs/dbraw/zinc/82/75/20/354827520.db2.gz DGUCWEHMVDBWQS-UHFFFAOYSA-N 2 0 255.362 -0.036 20 0 CBADRP [NH3+]C[C@H](NC(=O)C[C@H]1COCC[NH2+]1)C1CCCC1 ZINC000568620392 354827561 /nfs/dbraw/zinc/82/75/61/354827561.db2.gz YUXCCLCMFCKUNJ-RYUDHWBXSA-N 2 0 255.362 -0.001 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000568738322 354830774 /nfs/dbraw/zinc/83/07/74/354830774.db2.gz ZHZBRFPGUSMPNK-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000568745781 354831164 /nfs/dbraw/zinc/83/11/64/354831164.db2.gz BLQDTJQHZWJCEU-LLVKDONJSA-N 2 0 254.378 -0.462 20 0 CBADRP CC(C)[NH+]1CCN(CCCN(CC[NH3+])CCO)CC1 ZINC000568765417 354832221 /nfs/dbraw/zinc/83/22/21/354832221.db2.gz DNGWNDGINJBMJB-UHFFFAOYSA-N 3 0 272.437 -0.345 20 0 CBADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)[C@@H]1C ZINC000567639457 354792822 /nfs/dbraw/zinc/79/28/22/354792822.db2.gz PQROUADSDOOQEL-FRRDWIJNSA-N 2 0 297.399 -0.014 20 0 CBADRP CN1CCN(C(=O)N[C@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000567715603 354794295 /nfs/dbraw/zinc/79/42/95/354794295.db2.gz KJQHLRZFEZDMOF-QWRGUYRKSA-N 2 0 255.366 -0.977 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2C[C@H]2C2CC2)CC1 ZINC000567699997 354794676 /nfs/dbraw/zinc/79/46/76/354794676.db2.gz BYAVWFKHNFPRPF-HZSPNIEDSA-N 2 0 253.390 -0.017 20 0 CBADRP C[N@H+](C[C@H](O)CNCCNC(=O)c1ccn[nH]1)C1CC1 ZINC000567710809 354794686 /nfs/dbraw/zinc/79/46/86/354794686.db2.gz SMSCGULXWLRYKY-LLVKDONJSA-N 2 0 281.360 -0.816 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)C[C@H]2CSCC[NH2+]2)CCCO1 ZINC000567732820 354795268 /nfs/dbraw/zinc/79/52/68/354795268.db2.gz WVJSTSKKIBEBNX-WDEREUQCSA-N 2 0 273.402 -0.342 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000567765527 354796266 /nfs/dbraw/zinc/79/62/66/354796266.db2.gz ZEYPWXIBHJJEDF-YNEHKIRRSA-N 2 0 296.415 -0.312 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000570698888 354867997 /nfs/dbraw/zinc/86/79/97/354867997.db2.gz JZTFHNWABFHMIE-IJLUTSLNSA-N 2 0 297.403 -0.687 20 0 CBADRP C[C@@H](N[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000570805909 354869612 /nfs/dbraw/zinc/86/96/12/354869612.db2.gz QVBGDYUKSAVBQR-MXWKQRLJSA-N 2 0 261.391 -0.250 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000570825166 354870986 /nfs/dbraw/zinc/87/09/86/354870986.db2.gz YNTUNPUYAZCUFF-AGIUHOORSA-N 2 0 269.389 -0.006 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)C[C@@H](C[NH3+])OC ZINC000570928339 354872500 /nfs/dbraw/zinc/87/25/00/354872500.db2.gz FCJORHFGTNLUIY-NSHDSACASA-N 2 0 261.366 -0.613 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCSC2)C[C@@H]1O ZINC000570939003 354873777 /nfs/dbraw/zinc/87/37/77/354873777.db2.gz BLCINAPBANFKCB-WOPDTQHZSA-N 2 0 287.429 -0.443 20 0 CBADRP CC(C)(CCC[NH3+])NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000568885630 354835346 /nfs/dbraw/zinc/83/53/46/354835346.db2.gz KWTNRDWFUQAPKZ-LLVKDONJSA-N 2 0 284.404 -0.122 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569225424 354840170 /nfs/dbraw/zinc/84/01/70/354840170.db2.gz NDPDUEIRABDRFX-WCQYABFASA-N 2 0 255.362 -0.048 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@]2(COC)CC[NH2+]C2)C1 ZINC000569218298 354840298 /nfs/dbraw/zinc/84/02/98/354840298.db2.gz YSMZFDXCTUMHEE-GXTWGEPZSA-N 2 0 285.388 -0.551 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000569863674 354848466 /nfs/dbraw/zinc/84/84/66/354848466.db2.gz HJVUTJLUNQBQRZ-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP CCS(=O)(=O)C[C@@H](C)N(C)CCN1CC[NH2+]CC1 ZINC000569928409 354849855 /nfs/dbraw/zinc/84/98/55/354849855.db2.gz QGOHAMVDJUZDEZ-GFCCVEGCSA-N 2 0 277.434 -0.353 20 0 CBADRP COC[C@@]1(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCC[NH2+]1 ZINC000569946934 354850770 /nfs/dbraw/zinc/85/07/70/354850770.db2.gz DYCMUZGCXJPLHY-DYEKYZERSA-N 2 0 282.388 -0.242 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000569969921 354851274 /nfs/dbraw/zinc/85/12/74/354851274.db2.gz NWTMXWIBFAPSIC-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000570100740 354854920 /nfs/dbraw/zinc/85/49/20/354854920.db2.gz UTYYZFASBFYYSZ-RDBSUJKOSA-N 3 0 271.405 -0.215 20 0 CBADRP Cn1cncc1CCCN1CCO[C@H](C(N)=O)C1 ZINC000570173600 354855390 /nfs/dbraw/zinc/85/53/90/354855390.db2.gz KPEYCGGGGBXCRG-NSHDSACASA-N 2 0 252.318 -0.461 20 0 CBADRP CC(C)NC(=O)CN(C)CC(=O)NC[C@@H](C)C[NH3+] ZINC000570161396 354855469 /nfs/dbraw/zinc/85/54/69/354855469.db2.gz LMOCPPNXLYLECP-JTQLQIEISA-N 2 0 258.366 -0.846 20 0 CBADRP CCOC[C@H](O)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000570201929 354856490 /nfs/dbraw/zinc/85/64/90/354856490.db2.gz NNRDYHYHNYPZQP-QWHCGFSZSA-N 2 0 259.394 -0.391 20 0 CBADRP O=c1c2c(ncn1CC[C@@H]1CC[NH2+]C1)CC[NH2+]CC2 ZINC000570208033 354856928 /nfs/dbraw/zinc/85/69/28/354856928.db2.gz RXFUTGHDVGVMEQ-NSHDSACASA-N 2 0 262.357 -0.069 20 0 CBADRP C[C@@H](CN(C)C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000570509891 354862894 /nfs/dbraw/zinc/86/28/94/354862894.db2.gz LFBTUADWSQXRHV-QWHCGFSZSA-N 2 0 258.410 -0.866 20 0 CBADRP CC[N@@H+]1CCN(C[C@H](O)C[NH+](C)CCOC)[C@H](C)C1 ZINC000570580460 354865186 /nfs/dbraw/zinc/86/51/86/354865186.db2.gz XDUBJHRCGKKYAA-ZIAGYGMSSA-N 2 0 273.421 -0.049 20 0 CBADRP C[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC000572032923 354885018 /nfs/dbraw/zinc/88/50/18/354885018.db2.gz FZXPKYHFCDOCLM-MXWKQRLJSA-N 2 0 268.361 -0.937 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000572118285 354886625 /nfs/dbraw/zinc/88/66/25/354886625.db2.gz MVMRYTCVELECHD-MXWKQRLJSA-N 2 0 271.361 -0.134 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000572039539 354886706 /nfs/dbraw/zinc/88/67/06/354886706.db2.gz PTOXORSVWWJSLJ-QJPTWQEYSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C(=O)NCC[NH+](C)C ZINC000572133540 354887315 /nfs/dbraw/zinc/88/73/15/354887315.db2.gz FPEZXMZQENQZBB-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP C([C@H]1CCC[NH2+]C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000572643092 354893825 /nfs/dbraw/zinc/89/38/25/354893825.db2.gz IVJXTFJGPAELMC-UONOGXRCSA-N 2 0 252.406 -0.035 20 0 CBADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC(=O)N1CC[NH2+]CC1 ZINC000572749321 354897074 /nfs/dbraw/zinc/89/70/74/354897074.db2.gz UWLXICBIALVQQO-HIFRSBDPSA-N 2 0 290.411 -0.034 20 0 CBADRP C[C@H](C[NH3+])C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000572750284 354897105 /nfs/dbraw/zinc/89/71/05/354897105.db2.gz AVHWIOXSMDPTMF-RKDXNWHRSA-N 2 0 282.310 -0.467 20 0 CBADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@]34C[C@H]3CC[NH2+]4)[C@H]2C1 ZINC000572869823 354900416 /nfs/dbraw/zinc/90/04/16/354900416.db2.gz RYSOGESUJZRILB-UHXUPSOCSA-N 2 0 265.357 -0.330 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CCOC3C[NH2+]C3)C[C@@H]21 ZINC000572991965 354903120 /nfs/dbraw/zinc/90/31/20/354903120.db2.gz IDDDHAWZEQDLMS-WCFLWFBJSA-N 2 0 267.373 -0.049 20 0 CBADRP CC1CCN(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000573236614 354907733 /nfs/dbraw/zinc/90/77/33/354907733.db2.gz GPTXUOMDRIDIFL-INIZCTEOSA-N 2 0 298.475 -0.084 20 0 CBADRP COC(=O)[C@@H]1CN(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000573220102 354908241 /nfs/dbraw/zinc/90/82/41/354908241.db2.gz YBUJLXSTYAOMHD-CHWSQXEVSA-N 2 0 297.399 -0.109 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000573442444 354913474 /nfs/dbraw/zinc/91/34/74/354913474.db2.gz LSTKUNBAFAGTCB-AWEZNQCLSA-N 2 0 298.431 -0.539 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000573485563 354914383 /nfs/dbraw/zinc/91/43/83/354914383.db2.gz NNLZNBYNICDWMO-ZDUSSCGKSA-N 2 0 280.372 -0.055 20 0 CBADRP C[NH2+]CCCN1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000573564219 354915133 /nfs/dbraw/zinc/91/51/33/354915133.db2.gz ADHQPWWWCMLLQM-LBPRGKRZSA-N 3 0 252.366 -0.017 20 0 CBADRP NC(=O)NC(=O)CC[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000571790267 354880100 /nfs/dbraw/zinc/88/01/00/354880100.db2.gz FVODIYHALKTDOT-VIFPVBQESA-N 2 0 254.334 -0.355 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@]12CCNC2=O ZINC000571818664 354881109 /nfs/dbraw/zinc/88/11/09/354881109.db2.gz SQCCVLWKDXIBRT-WCQYABFASA-N 2 0 255.362 -0.347 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)[C@H](C[NH3+])C1 ZINC000571865975 354882322 /nfs/dbraw/zinc/88/23/22/354882322.db2.gz AMOFTWIKIHFXAB-NXEZZACHSA-N 2 0 291.346 -0.732 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000571882589 354882587 /nfs/dbraw/zinc/88/25/87/354882587.db2.gz LMOLADRPHLGOBV-RYUDHWBXSA-N 2 0 255.362 -0.048 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000573723966 354919538 /nfs/dbraw/zinc/91/95/38/354919538.db2.gz JCRHQOGNYLBGNH-SRVKXCTJSA-N 2 0 284.404 -0.327 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000573699226 354919628 /nfs/dbraw/zinc/91/96/28/354919628.db2.gz FEPJYHOUDJZYOY-JCIQBVFBSA-N 2 0 255.362 -0.005 20 0 CBADRP [NH3+]CCCC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000573801021 354921608 /nfs/dbraw/zinc/92/16/08/354921608.db2.gz NMSWIRDKJAWACQ-VIFPVBQESA-N 2 0 282.310 -0.322 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000573841203 354923443 /nfs/dbraw/zinc/92/34/43/354923443.db2.gz NMTXYIOHHUPQAR-NSHDSACASA-N 2 0 283.372 -0.131 20 0 CBADRP COC[C@@]1(CNC(=O)C[C@H]2C[NH2+]CCO2)CCC[NH2+]1 ZINC000573844215 354923462 /nfs/dbraw/zinc/92/34/62/354923462.db2.gz QYGKOPBJKPOHCP-AAEUAGOBSA-N 2 0 271.361 -0.750 20 0 CBADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000573942695 354925494 /nfs/dbraw/zinc/92/54/94/354925494.db2.gz HXERLNKTWFNDBK-ZDUSSCGKSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H](N2CCNC2=O)C1 ZINC000574168778 354929278 /nfs/dbraw/zinc/92/92/78/354929278.db2.gz HAQWIRAHUFAIOQ-CHWSQXEVSA-N 2 0 284.404 -0.211 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000575123749 354934278 /nfs/dbraw/zinc/93/42/78/354934278.db2.gz WMCSRPXKRNYOOJ-YFKTTZPYSA-N 2 0 296.415 -0.030 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000577489238 354938329 /nfs/dbraw/zinc/93/83/29/354938329.db2.gz QVTAEKNCQORZAS-HBNTYKKESA-N 2 0 257.382 -0.604 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000578186284 354939746 /nfs/dbraw/zinc/93/97/46/354939746.db2.gz CHRPEJNYMQXDBX-WUHRBBMRSA-N 2 0 267.373 -0.132 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cnn(C)c1 ZINC000578321117 354942558 /nfs/dbraw/zinc/94/25/58/354942558.db2.gz VEPUTCQCDSJLJR-LOWVWBTDSA-N 2 0 277.372 -0.252 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000578352325 354943736 /nfs/dbraw/zinc/94/37/36/354943736.db2.gz SJVJDNMYVFAEQL-VXGBXAGGSA-N 2 0 255.362 -0.049 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000578509024 354947480 /nfs/dbraw/zinc/94/74/80/354947480.db2.gz OQJCLVCRANGJHO-IJLUTSLNSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H](CNC(=O)CC[NH2+]C1CC1)N1CC[NH+](C)CC1 ZINC000578522842 354948826 /nfs/dbraw/zinc/94/88/26/354948826.db2.gz YSDOMJKAZCOFBD-GFCCVEGCSA-N 2 0 268.405 -0.119 20 0 CBADRP CC[C@H](C(=O)NCC(=O)N1CC[NH2+]CC1)[NH+](CC)CC ZINC000578630849 354950587 /nfs/dbraw/zinc/95/05/87/354950587.db2.gz DODPPYAZVZBKMG-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC[NH2+]1 ZINC000578649831 354951850 /nfs/dbraw/zinc/95/18/50/354951850.db2.gz NSTSDCPAAJZBCF-UTUOFQBUSA-N 2 0 292.387 -0.100 20 0 CBADRP CO[C@@H]1CCN(CCC(=O)N2CCN(C)CC2)[C@H](C[NH3+])C1 ZINC000578867980 354956375 /nfs/dbraw/zinc/95/63/75/354956375.db2.gz JWEXCIQSSSISQJ-UONOGXRCSA-N 3 0 298.431 -0.411 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000578895489 354958247 /nfs/dbraw/zinc/95/82/47/354958247.db2.gz UBURYKFXWLGHDY-AWEZNQCLSA-N 2 0 298.431 -0.491 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000580942612 355001914 /nfs/dbraw/zinc/00/19/14/355001914.db2.gz ANRVXSSWONCOQK-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000579117162 354962233 /nfs/dbraw/zinc/96/22/33/354962233.db2.gz NASDBEZRBLLSHW-ZDUSSCGKSA-N 2 0 267.377 -0.040 20 0 CBADRP C[NH2+][C@H]1CCCN(CCC(=O)N2CC[NH2+]CC2)C1 ZINC000579122398 354962688 /nfs/dbraw/zinc/96/26/88/354962688.db2.gz CFMSCOJKKJPYLK-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP C[C@H](CC(=O)NCC(=O)N1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000579236485 354965314 /nfs/dbraw/zinc/96/53/14/354965314.db2.gz WRGLCLSPWWEJID-GFCCVEGCSA-N 2 0 296.415 -0.440 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000579490670 354972014 /nfs/dbraw/zinc/97/20/14/354972014.db2.gz DDVGENQYJVGRTO-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CC23CC3)CC1 ZINC000579703633 354976809 /nfs/dbraw/zinc/97/68/09/354976809.db2.gz IDTMZFGBZAGUOY-OLZOCXBDSA-N 2 0 253.390 -0.016 20 0 CBADRP [NH3+]CCC1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000579726378 354977932 /nfs/dbraw/zinc/97/79/32/354977932.db2.gz IVNBLVDFQQRKTK-GFCCVEGCSA-N 2 0 255.362 -0.048 20 0 CBADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000579828683 354979717 /nfs/dbraw/zinc/97/97/17/354979717.db2.gz JOUBJVHBRUEQIN-NWDGAFQWSA-N 2 0 256.394 -0.264 20 0 CBADRP CC(C)([NH3+])CN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000580326652 354993472 /nfs/dbraw/zinc/99/34/72/354993472.db2.gz WOCWGOOQLASNGB-OLZOCXBDSA-N 2 0 295.431 -0.056 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1O ZINC000580326187 354993594 /nfs/dbraw/zinc/99/35/94/354993594.db2.gz DBSFFBZYOJAPJH-RYUDHWBXSA-N 2 0 255.362 -0.539 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@@H]1CCCC(=O)N1 ZINC000580675531 354995422 /nfs/dbraw/zinc/99/54/22/354995422.db2.gz RKZJBNBVPWIAKM-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000580413272 354995531 /nfs/dbraw/zinc/99/55/31/354995531.db2.gz AYWHJTRLRNQLEA-RYUDHWBXSA-N 2 0 270.377 -0.290 20 0 CBADRP [NH3+]CC1(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CCCC1 ZINC000580552727 354995674 /nfs/dbraw/zinc/99/56/74/354995674.db2.gz WHYXABUHGSQGBN-NSHDSACASA-N 2 0 282.388 -0.368 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000580833862 354999849 /nfs/dbraw/zinc/99/98/49/354999849.db2.gz JFEAOOGMEPDNGX-TUAOUCFPSA-N 2 0 252.362 -0.770 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000580951114 355001662 /nfs/dbraw/zinc/00/16/62/355001662.db2.gz VCYMOSMSZSWAQW-DGCLKSJQSA-N 2 0 255.362 -0.320 20 0 CBADRP C[NH2+]CC1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000584598782 355033032 /nfs/dbraw/zinc/03/30/32/355033032.db2.gz MZWNMNZUGDBWLW-UHFFFAOYSA-N 2 0 268.405 -0.260 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccnc(C[NH3+])c1 ZINC000584833746 355039373 /nfs/dbraw/zinc/03/93/73/355039373.db2.gz NSHUENPEIOWYOV-GFCCVEGCSA-N 2 0 263.345 -0.826 20 0 CBADRP CN1CCN(C(=O)CC[N@@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000584839477 355040105 /nfs/dbraw/zinc/04/01/05/355040105.db2.gz AESBBMSADUYKQZ-CYBMUJFWSA-N 2 0 268.405 -0.179 20 0 CBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000581368352 355005674 /nfs/dbraw/zinc/00/56/74/355005674.db2.gz BYYATIQTIULSKF-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[N@H+](C[C@H]3CCCOC3)CCN2C1=O ZINC000582073659 355007161 /nfs/dbraw/zinc/00/71/61/355007161.db2.gz LWDZHJZZJBPDQW-GRYCIOLGSA-N 2 0 253.346 -0.343 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000582074286 355007227 /nfs/dbraw/zinc/00/72/27/355007227.db2.gz NXSGZAWLUHYMPL-GFCCVEGCSA-N 2 0 284.404 -0.358 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[N@H+](C[C@@H]3CCCOC3)CCN2C1=O ZINC000582073662 355007777 /nfs/dbraw/zinc/00/77/77/355007777.db2.gz LWDZHJZZJBPDQW-SDDRHHMPSA-N 2 0 253.346 -0.343 20 0 CBADRP C[C@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000582121110 355008456 /nfs/dbraw/zinc/00/84/56/355008456.db2.gz PAZZYZPCFYPUBZ-YNEHKIRRSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000582121109 355008459 /nfs/dbraw/zinc/00/84/59/355008459.db2.gz PAZZYZPCFYPUBZ-XQQFMLRXSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000582291430 355013044 /nfs/dbraw/zinc/01/30/44/355013044.db2.gz XZTVARHMTJSVPG-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000582350473 355015076 /nfs/dbraw/zinc/01/50/76/355015076.db2.gz FBIMBNVEMSXPSZ-RYUDHWBXSA-N 2 0 294.399 -0.450 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H]1C[NH2+]CCN1C)[C@@H](C)[NH3+] ZINC000582601234 355016618 /nfs/dbraw/zinc/01/66/18/355016618.db2.gz VZOOMIMEAXCZNH-UTUOFQBUSA-N 2 0 256.394 -0.374 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000419134654 295895137 /nfs/dbraw/zinc/89/51/37/295895137.db2.gz KMTCXBSKCIEIGJ-QWRGUYRKSA-N 2 0 286.420 -0.068 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000583871003 355023115 /nfs/dbraw/zinc/02/31/15/355023115.db2.gz DRFKGTIGSHEEFH-QWHCGFSZSA-N 2 0 268.405 -0.214 20 0 CBADRP CC[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000583867053 355023331 /nfs/dbraw/zinc/02/33/31/355023331.db2.gz QHUMWQHPSCUBAG-MCIONIFRSA-N 2 0 271.405 -0.248 20 0 CBADRP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000583867581 355023430 /nfs/dbraw/zinc/02/34/30/355023430.db2.gz SNXXWBUDPJWNIS-BFHYXJOUSA-N 2 0 271.405 -0.248 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000583933761 355025011 /nfs/dbraw/zinc/02/50/11/355025011.db2.gz UECDXIPAAFQGSX-GFCCVEGCSA-N 2 0 292.387 -0.241 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NCCNc1cc[nH+]cc1 ZINC000583932519 355025275 /nfs/dbraw/zinc/02/52/75/355025275.db2.gz SXNRYMAHBAGQRF-LBPRGKRZSA-N 2 0 264.329 -0.590 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000418573534 295896293 /nfs/dbraw/zinc/89/62/93/295896293.db2.gz UHVNKYJANINNIV-LBPRGKRZSA-N 2 0 299.419 -0.375 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NCCC[NH+](C)C ZINC000588964934 355063916 /nfs/dbraw/zinc/06/39/16/355063916.db2.gz JGXGLOGMUYAOSM-UHFFFAOYSA-N 2 0 260.382 -0.185 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)C[C@@H]21 ZINC000423734455 283079921 /nfs/dbraw/zinc/07/99/21/283079921.db2.gz CVWMGSSIHQRKRU-UTUOFQBUSA-N 2 0 280.372 -0.901 20 0 CBADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]CCC(=O)NC(N)=O)CC1 ZINC000591739228 355111874 /nfs/dbraw/zinc/11/18/74/355111874.db2.gz BOVJIDOKDWVTKQ-GFCCVEGCSA-N 2 0 299.419 -0.565 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000591896876 355117284 /nfs/dbraw/zinc/11/72/84/355117284.db2.gz CGOGSSXHLLVJHL-NWDGAFQWSA-N 2 0 283.372 -0.133 20 0 CBADRP COCC[NH2+]CCNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592540657 355160286 /nfs/dbraw/zinc/16/02/86/355160286.db2.gz DNBMLXNDFUOPKJ-LLVKDONJSA-N 2 0 295.387 -0.315 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000592546992 355160909 /nfs/dbraw/zinc/16/09/09/355160909.db2.gz CWKOVHVFEFSOKG-NXEZZACHSA-N 2 0 255.318 -0.898 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CC[NH2+]C(C)C ZINC000592546543 355161135 /nfs/dbraw/zinc/16/11/35/355161135.db2.gz AUDVUAHMAOJIMI-LLVKDONJSA-N 2 0 271.361 -0.262 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000592547622 355161167 /nfs/dbraw/zinc/16/11/67/355161167.db2.gz IGSSYSKPXAZZCM-MNOVXSKESA-N 2 0 269.345 -0.508 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CCC(C)(C)[NH3+] ZINC000592548953 355161786 /nfs/dbraw/zinc/16/17/86/355161786.db2.gz UVNMHITUEKBOSE-JTQLQIEISA-N 2 0 271.361 -0.133 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccc(C[NH3+])o1 ZINC000592549635 355161828 /nfs/dbraw/zinc/16/18/28/355161828.db2.gz YZEIICMMTWGMET-JTQLQIEISA-N 2 0 281.312 -0.285 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000592553403 355162933 /nfs/dbraw/zinc/16/29/33/355162933.db2.gz KRASXQZJKDCQSW-BBBLOLIVSA-N 2 0 257.334 -0.667 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000592552415 355162962 /nfs/dbraw/zinc/16/29/62/355162962.db2.gz HJEDCUOBTIGFAD-VHSXEESVSA-N 2 0 269.345 -0.652 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[NH2+]C1CC1 ZINC000592557241 355163680 /nfs/dbraw/zinc/16/36/80/355163680.db2.gz XCJTVWNOIIHBDP-JTQLQIEISA-N 2 0 255.318 -0.898 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000592557265 355163743 /nfs/dbraw/zinc/16/37/43/355163743.db2.gz XTMRDONZUBNDSQ-NEPJUHHUSA-N 2 0 283.372 -0.260 20 0 CBADRP C[C@H]1C[C@@H](C[NH+]2CCN(S(C)(=O)=O)CC2)CC[NH2+]1 ZINC000235699286 291057077 /nfs/dbraw/zinc/05/70/77/291057077.db2.gz VXMAIRSURUHIAV-RYUDHWBXSA-N 2 0 275.418 -0.048 20 0 CBADRP CSCC[C@H]([NH3+])C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592307855 355147362 /nfs/dbraw/zinc/14/73/62/355147362.db2.gz JULJATJYIOAYPL-GUBZILKMSA-N 2 0 261.391 -0.359 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(=O)OC)CC[C@H]1[NH3+] ZINC000592330516 355148106 /nfs/dbraw/zinc/14/81/06/355148106.db2.gz BRLAWBKBBZEDHX-BBBLOLIVSA-N 2 0 257.334 -0.537 20 0 CBADRP COC[C@]1(CNC(=O)[C@H]([NH3+])CCSC)CCC[NH2+]1 ZINC000592338390 355149030 /nfs/dbraw/zinc/14/90/30/355149030.db2.gz YSKSNSVUBZXMAZ-ZYHUDNBSSA-N 2 0 275.418 -0.048 20 0 CBADRP CS[C@H](CO)[C@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000592430979 355153979 /nfs/dbraw/zinc/15/39/79/355153979.db2.gz FTMOPPNMCTVZMC-RWMBFGLXSA-N 2 0 291.461 -0.703 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[NH+](C)C ZINC000592472226 355155313 /nfs/dbraw/zinc/15/53/13/355155313.db2.gz XZQFITAJCHELBK-ZDUSSCGKSA-N 2 0 285.436 -0.127 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000592471046 355155542 /nfs/dbraw/zinc/15/55/42/355155542.db2.gz KNWORFDVUTWENP-OUAUKWLOSA-N 2 0 271.361 -0.147 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000592474863 355156412 /nfs/dbraw/zinc/15/64/12/355156412.db2.gz HFVGCMJGFGPSIP-UWVGGRQHSA-N 2 0 257.334 -0.523 20 0 CBADRP CCOC(=O)CNC(=O)C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000592495921 355158524 /nfs/dbraw/zinc/15/85/24/355158524.db2.gz XGDWBTZGDPTCRR-GFCCVEGCSA-N 2 0 297.399 -0.013 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000593908086 355228204 /nfs/dbraw/zinc/22/82/04/355228204.db2.gz YBJYUNCKMUDGRY-QJPTWQEYSA-N 2 0 283.372 -0.133 20 0 CBADRP NC(=O)NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593731550 355217315 /nfs/dbraw/zinc/21/73/15/355217315.db2.gz ZTQFUZVFIBEFAB-TUAOUCFPSA-N 2 0 298.387 -0.068 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C3([NH3+])CCCC3)CCN2C1=O ZINC000594873869 355265754 /nfs/dbraw/zinc/26/57/54/355265754.db2.gz OQILBKZJZIJWAL-NXEZZACHSA-N 2 0 266.345 -0.972 20 0 CBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)CC3([NH3+])CCC3)CCN2C1=O ZINC000594873651 355265825 /nfs/dbraw/zinc/26/58/25/355265825.db2.gz GLRDXFBJCRULGD-ZJUUUORDSA-N 2 0 266.345 -0.972 20 0 CBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)C3([NH3+])CCCC3)CCN2C1=O ZINC000594873872 355265907 /nfs/dbraw/zinc/26/59/07/355265907.db2.gz OQILBKZJZIJWAL-ZJUUUORDSA-N 2 0 266.345 -0.972 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594878295 355267080 /nfs/dbraw/zinc/26/70/80/355267080.db2.gz FHDQZUPXBVXMCW-QCNOEVLYSA-N 2 0 280.372 -0.726 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)CCN2C1=O ZINC000594878014 355267310 /nfs/dbraw/zinc/26/73/10/355267310.db2.gz AZYONGFVJUMWSE-NWJSVONSSA-N 2 0 292.383 -0.854 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)CCN2C1=O ZINC000594879324 355267692 /nfs/dbraw/zinc/26/76/92/355267692.db2.gz MZMCVSGVIGYVGX-FDYHWXHSSA-N 2 0 292.383 -0.713 20 0 CBADRP O[C@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)C[NH+]1CCCC1 ZINC000595155410 355273013 /nfs/dbraw/zinc/27/30/13/355273013.db2.gz YLTWZTFZPDYXRH-CHWSQXEVSA-N 2 0 279.388 -0.029 20 0 CBADRP O[C@@H](C[NH2+]C[C@H]1CNc2ccnn2C1)C[NH+]1CCCC1 ZINC000595155413 355273184 /nfs/dbraw/zinc/27/31/84/355273184.db2.gz YLTWZTFZPDYXRH-STQMWFEESA-N 2 0 279.388 -0.029 20 0 CBADRP COC(=O)CCN1CC[C@H]([N@@H+]2C[C@H](C[NH3+])C[C@H]2C)C1=O ZINC000595890173 355314332 /nfs/dbraw/zinc/31/43/32/355314332.db2.gz YYXAJOKQXZPBSU-WOPDTQHZSA-N 2 0 283.372 -0.181 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595895485 355315260 /nfs/dbraw/zinc/31/52/60/355315260.db2.gz OEGRAJRUYQGJCZ-RYUDHWBXSA-N 2 0 283.372 -0.656 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]([NH3+])COC(C)C ZINC000595949970 355325797 /nfs/dbraw/zinc/32/57/97/355325797.db2.gz HXCRPUXGXOXCCS-WDEREUQCSA-N 2 0 287.360 -0.898 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000595964949 355330275 /nfs/dbraw/zinc/33/02/75/355330275.db2.gz OJFPOVSUTHVIKC-VIFPVBQESA-N 2 0 257.334 -0.345 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@H]3CCCC[NH2+]C3)CCN2C1=O ZINC000595266685 355276096 /nfs/dbraw/zinc/27/60/96/355276096.db2.gz AZIDNSLNVKFLBQ-SDDRHHMPSA-N 2 0 295.387 -0.918 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598667491 355449091 /nfs/dbraw/zinc/44/90/91/355449091.db2.gz JBSLCOQDETVYSF-NRUUGDAUSA-N 2 0 269.345 -0.393 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598667489 355449102 /nfs/dbraw/zinc/44/91/02/355449102.db2.gz JBSLCOQDETVYSF-GBIKHYSHSA-N 2 0 269.345 -0.393 20 0 CBADRP CS[C@@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@@H]1[NH+]1CCCC1 ZINC000599067150 355461743 /nfs/dbraw/zinc/46/17/43/355461743.db2.gz BZHNHUHCEMERLW-DTWKUNHWSA-N 2 0 295.416 -0.287 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000599936616 355519523 /nfs/dbraw/zinc/51/95/23/355519523.db2.gz YICVVANITBOGQS-QJPTWQEYSA-N 2 0 295.387 -0.966 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000599936617 355520001 /nfs/dbraw/zinc/52/00/01/355520001.db2.gz YICVVANITBOGQS-SDDRHHMPSA-N 2 0 295.387 -0.966 20 0 CBADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000601325536 355585400 /nfs/dbraw/zinc/58/54/00/355585400.db2.gz KVCVBQRDIIJTDV-QCNOEVLYSA-N 2 0 253.346 -0.345 20 0 CBADRP COC(=O)CCN1CC[C@H]([N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000601325668 355585695 /nfs/dbraw/zinc/58/56/95/355585695.db2.gz FDXZOTPHALNZGC-UTUOFQBUSA-N 2 0 283.372 -0.323 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000419322898 291069127 /nfs/dbraw/zinc/06/91/27/291069127.db2.gz SYTYYAOASWUPIH-SDDRHHMPSA-N 2 0 294.399 -0.404 20 0 CBADRP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000600734611 355564238 /nfs/dbraw/zinc/56/42/38/355564238.db2.gz HYGPYEFARUPPSP-NSHDSACASA-N 2 0 288.392 -0.236 20 0 CBADRP C[C@@H]1CN(C(=O)C2([S@@](C)=O)CC[NH2+]CC2)C[C@@H](C)[NH2+]1 ZINC000602435860 355650351 /nfs/dbraw/zinc/65/03/51/355650351.db2.gz VLEYBTLMDYFMIH-XCJKDKRRSA-N 2 0 287.429 -0.304 20 0 CBADRP CC[NH+](CC)CCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602463472 355651816 /nfs/dbraw/zinc/65/18/16/355651816.db2.gz BCCIZQZSLWURDL-IBGZPJMESA-N 2 0 289.445 -0.055 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000602493723 355653842 /nfs/dbraw/zinc/65/38/42/355653842.db2.gz PTKMOQOXYHFBTG-NXEZZACHSA-N 2 0 257.334 -0.652 20 0 CBADRP CC[C@H](C(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC)[NH+](C)C ZINC000602491397 355654190 /nfs/dbraw/zinc/65/41/90/355654190.db2.gz HUEHGLOAURVGRT-GHMZBOCLSA-N 2 0 271.361 -0.310 20 0 CBADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000602522681 355656362 /nfs/dbraw/zinc/65/63/62/355656362.db2.gz FVDJWXVTPYNERD-WOPDTQHZSA-N 2 0 282.388 -0.480 20 0 CBADRP C[S@](=O)C1(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]CC1 ZINC000602533314 355658231 /nfs/dbraw/zinc/65/82/31/355658231.db2.gz WMLSOVQVJJAHBQ-YZRASEIHSA-N 2 0 299.440 -0.173 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]([NH3+])CCSC ZINC000602547590 355660300 /nfs/dbraw/zinc/66/03/00/355660300.db2.gz HVCOQFNXNKIPDD-JTQLQIEISA-N 2 0 263.407 -0.239 20 0 CBADRP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000602020443 355625704 /nfs/dbraw/zinc/62/57/04/355625704.db2.gz LBPNLPUKNOWXOS-XKNYDFJKSA-N 2 0 259.350 -0.232 20 0 CBADRP C[N@H+](C[C@@H](O)Cn1cc(CSCC[NH3+])nn1)C1CC1 ZINC000603259613 355700910 /nfs/dbraw/zinc/70/09/10/355700910.db2.gz MWCWABJCNKIJOB-GFCCVEGCSA-N 2 0 285.417 -0.075 20 0 CBADRP C[C@H](CN1C[C@H]2C[NH2+]C[C@@H]2C1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000605575567 355735655 /nfs/dbraw/zinc/73/56/55/355735655.db2.gz HNROONTYVKQOMT-QCODTGAPSA-N 4 0 278.444 -0.075 20 0 CBADRP C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000607151007 355746493 /nfs/dbraw/zinc/74/64/93/355746493.db2.gz ZSTUQNQBBGCBPG-TUVASFSCSA-N 3 0 264.417 -0.321 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@]2(C)CC[NH2+]C2)C1 ZINC000612883869 355855040 /nfs/dbraw/zinc/85/50/40/355855040.db2.gz UQGHDXMUKRUEBC-WCQYABFASA-N 2 0 270.377 -0.242 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@]2(C)CC[NH2+]C2)C1 ZINC000612883870 355855177 /nfs/dbraw/zinc/85/51/77/355855177.db2.gz UQGHDXMUKRUEBC-YPMHNXCESA-N 2 0 270.377 -0.242 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612972014 355858506 /nfs/dbraw/zinc/85/85/06/355858506.db2.gz RFRAAMXDXJUWQI-QWHCGFSZSA-N 2 0 295.431 -0.327 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612987812 355859249 /nfs/dbraw/zinc/85/92/49/355859249.db2.gz QKMBXGCSMZBWNG-CYBMUJFWSA-N 2 0 295.431 -0.277 20 0 CBADRP O[C@H](COC[C@@H]1CCCO1)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000613210947 355873013 /nfs/dbraw/zinc/87/30/13/355873013.db2.gz UPQCRRPCPRZPKQ-MQYQWHSLSA-N 2 0 270.373 -0.306 20 0 CBADRP CN1CCN(CC(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)CC1 ZINC000613660338 355902888 /nfs/dbraw/zinc/90/28/88/355902888.db2.gz IUJVSVKQDYFDLJ-CHWSQXEVSA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@H](NC(=O)[C@H](C)[NH+](C)C)[C@H](C)NC(=O)[C@H](C)[NH+](C)C ZINC000613957081 355924422 /nfs/dbraw/zinc/92/44/22/355924422.db2.gz QPWMIRMHPXCPKI-BJDJZHNGSA-N 2 0 286.420 -0.104 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)[NH+](C)C ZINC000614505821 355965612 /nfs/dbraw/zinc/96/56/12/355965612.db2.gz BCJRNPNTOIHWDD-OLZOCXBDSA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000615313280 356021127 /nfs/dbraw/zinc/02/11/27/356021127.db2.gz HXGVKIMLBSDVCE-MCIONIFRSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[NH+](C)C ZINC000617756963 356154449 /nfs/dbraw/zinc/15/44/49/356154449.db2.gz RUUGYGTYPGNAIL-OLZOCXBDSA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC1C[NH+](C)C1 ZINC000618191537 356179011 /nfs/dbraw/zinc/17/90/11/356179011.db2.gz IEMYPXHXSXVCJF-LBPRGKRZSA-N 2 0 269.389 -0.025 20 0 CBADRP CCC[N@H+](C)CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618305859 356185269 /nfs/dbraw/zinc/18/52/69/356185269.db2.gz KCFYEFPWPYGSKR-UHFFFAOYSA-N 2 0 286.420 -0.193 20 0 CBADRP CC1(OCC(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C[NH2+]C1 ZINC000621698850 356281360 /nfs/dbraw/zinc/28/13/60/356281360.db2.gz GYXFWYKHFWIBOG-MFKMUULPSA-N 2 0 253.346 -0.295 20 0 CBADRP CNS(=O)(=O)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000621247805 356259187 /nfs/dbraw/zinc/25/91/87/356259187.db2.gz JEEANGSASRGMJK-UHFFFAOYSA-N 2 0 263.407 -0.191 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621700558 356281740 /nfs/dbraw/zinc/28/17/40/356281740.db2.gz QZKWNIYIYRZUPK-MPPDQPJWSA-N 2 0 253.346 -0.310 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000621653647 356279114 /nfs/dbraw/zinc/27/91/14/356279114.db2.gz CNLAPEKCCAFZKK-NWDGAFQWSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000621653648 356279228 /nfs/dbraw/zinc/27/92/28/356279228.db2.gz CNLAPEKCCAFZKK-RYUDHWBXSA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621680891 356279637 /nfs/dbraw/zinc/27/96/37/356279637.db2.gz JZSTXZQDSNGDFF-GMXVVIOVSA-N 2 0 254.378 -0.395 20 0 CBADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1COC3)C2 ZINC000621681791 356280465 /nfs/dbraw/zinc/28/04/65/356280465.db2.gz WVWAMKWIEMCSKJ-UVLXDEKHSA-N 2 0 265.357 -0.438 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000620478631 356244756 /nfs/dbraw/zinc/24/47/56/356244756.db2.gz ZRTXEJCCZGZDBF-GXTWGEPZSA-N 2 0 281.400 -0.004 20 0 CBADRP CN1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C(C)(C)C1 ZINC000621776869 356283752 /nfs/dbraw/zinc/28/37/52/356283752.db2.gz YNMLLUFNRHGSAX-UHFFFAOYSA-N 2 0 268.405 -0.166 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621846006 356290349 /nfs/dbraw/zinc/29/03/49/356290349.db2.gz SWAHGPVPLZEWFQ-WFASDCNBSA-N 2 0 296.415 -0.216 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622024813 356300453 /nfs/dbraw/zinc/30/04/53/356300453.db2.gz CSVQLKALGMSIPN-IUODEOHRSA-N 2 0 296.415 -0.264 20 0 CBADRP CN(CCC[NH2+]Cc1cn(C)nn1)CC[NH+](C)C ZINC000623088176 356354674 /nfs/dbraw/zinc/35/46/74/356354674.db2.gz YPLSQPHBIRRCCK-UHFFFAOYSA-N 2 0 254.382 -0.212 20 0 CBADRP CC1(C)CCC[N@H+](CCNc2nc(N)[nH+]c(N)n2)C1 ZINC000624160595 356399971 /nfs/dbraw/zinc/39/99/71/356399971.db2.gz BMCBEPASJFSTNM-UHFFFAOYSA-N 2 0 265.365 -0.347 20 0 CBADRP C[C@@H]1CCCC[N@@H+]1CCCNc1nc(N)[nH+]c(N)n1 ZINC000623810186 356377041 /nfs/dbraw/zinc/37/70/41/356377041.db2.gz MPNQBWYUJFYQLA-SECBINFHSA-N 2 0 265.365 -0.205 20 0 CBADRP C[C@@H](CNc1nc(N)[nH+]c(N)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000623859100 356378980 /nfs/dbraw/zinc/37/89/80/356378980.db2.gz AWIDDDXDAGICBR-IUCAKERBSA-N 2 0 265.365 -0.349 20 0 CBADRP C[C@H]1CCC[N@H+](CCNc2nc(N)[nH+]c(N)n2)C1 ZINC000623861454 356379553 /nfs/dbraw/zinc/37/95/53/356379553.db2.gz YNOSHXIUDVFJLD-QMMMGPOBSA-N 2 0 251.338 -0.738 20 0 CBADRP Nc1nc(NCC2([NH+]3CCCC3)CCOCC2)nc(N)[nH+]1 ZINC000623941585 356384184 /nfs/dbraw/zinc/38/41/84/356384184.db2.gz XKRTZOBZROVPCU-UHFFFAOYSA-N 2 0 293.375 -0.824 20 0 CBADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1nc(N)[nH+]c(N)n1 ZINC000623954366 356384216 /nfs/dbraw/zinc/38/42/16/356384216.db2.gz LGBLHRDKTKPDQM-DTORHVGOSA-N 2 0 265.365 -0.207 20 0 CBADRP C[C@H]1C[N@H+](CCCNc2nc(N)[nH+]c(N)n2)CCCO1 ZINC000624158547 356400446 /nfs/dbraw/zinc/40/04/46/356400446.db2.gz DTQBZCNHPDCDIW-VIFPVBQESA-N 2 0 281.364 -0.969 20 0 CBADRP C[NH+](C)CCCOC1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000624022459 356389704 /nfs/dbraw/zinc/38/97/04/356389704.db2.gz PXOJXFKAEPNNEN-UHFFFAOYSA-N 2 0 295.391 -0.366 20 0 CBADRP C[C@@H]1C[NH+](CCCCNc2nc(N)[nH+]c(N)n2)C[C@@H](C)O1 ZINC000624027360 356391063 /nfs/dbraw/zinc/39/10/63/356391063.db2.gz QSVPDMSLKVJNQC-NXEZZACHSA-N 2 0 295.391 -0.580 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2nc(N)[nH+]c(N)n2)C1 ZINC000624050129 356392118 /nfs/dbraw/zinc/39/21/18/356392118.db2.gz ZLKOPOHPACYNAT-DTWKUNHWSA-N 2 0 263.349 -0.383 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2nc(N)[nH+]c(N)n2)C1 ZINC000624050131 356392412 /nfs/dbraw/zinc/39/24/12/356392412.db2.gz ZLKOPOHPACYNAT-RKDXNWHRSA-N 2 0 263.349 -0.383 20 0 CBADRP CC(C)[C@@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@@H+]1C ZINC000624156177 356400759 /nfs/dbraw/zinc/40/07/59/356400759.db2.gz SPRCTUMJEHAAAX-QMMMGPOBSA-N 2 0 251.338 -0.527 20 0 CBADRP CC[N@@H+]1C[C@@H](C)N(c2nc(N)[nH+]c(N)n2)C[C@@H]1C ZINC000624075550 356394644 /nfs/dbraw/zinc/39/46/44/356394644.db2.gz KVBNESSGOJIEIC-JGVFFNPUSA-N 2 0 251.338 -0.384 20 0 CBADRP C[N@@H+]1CC[C@@H](Nc2nc(N)[nH+]c(N)n2)[C@@H]1c1ccccc1 ZINC000624068514 356395391 /nfs/dbraw/zinc/39/53/91/356395391.db2.gz YFNVIPVUUAHFAC-MNOVXSKESA-N 2 0 285.355 -0.024 20 0 CBADRP C[NH+](C)CCc1ccc(CNc2nc(N)[nH+]c(N)n2)cc1 ZINC000624149857 356399359 /nfs/dbraw/zinc/39/93/59/356399359.db2.gz YRPOPWMJINHYNL-UHFFFAOYSA-N 2 0 287.371 -0.165 20 0 CBADRP C[NH+](C)C1CCC(Nc2nc(N)[nH+]c(N)n2)CC1 ZINC000624288546 356410608 /nfs/dbraw/zinc/41/06/08/356410608.db2.gz QAZORTKUMSMYET-UHFFFAOYSA-N 2 0 251.338 -0.597 20 0 CBADRP CC(C)C[NH2+]C1(CO)CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000624250562 356406943 /nfs/dbraw/zinc/40/69/43/356406943.db2.gz WGDFKFDDMFUKSL-UHFFFAOYSA-N 2 0 295.391 -0.726 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)c2nc(N)[nH+]c(N)n2)C1 ZINC000624266407 356408729 /nfs/dbraw/zinc/40/87/29/356408729.db2.gz NARURLARCGKAMV-MRVPVSSYSA-N 2 0 251.338 -0.384 20 0 CBADRP CC[NH+](CC)CCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626916605 356555369 /nfs/dbraw/zinc/55/53/69/356555369.db2.gz ARBOZYSAZIGIDC-LLVKDONJSA-N 2 0 258.366 -0.384 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NCCn1ccnc1 ZINC000626923162 356556221 /nfs/dbraw/zinc/55/62/21/356556221.db2.gz NIIVXHOVANHHQL-UHFFFAOYSA-N 2 0 269.349 -0.240 20 0 CBADRP C[NH2+]CCOCCNC(=O)NC1CC[NH+](C)CC1 ZINC000626920711 356556414 /nfs/dbraw/zinc/55/64/14/356556414.db2.gz AFHPFVNREABITI-UHFFFAOYSA-N 2 0 258.366 -0.384 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000626950443 356558745 /nfs/dbraw/zinc/55/87/45/356558745.db2.gz RFOZNJXWWLLGJH-NSHDSACASA-N 2 0 258.366 -0.303 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000626945583 356558796 /nfs/dbraw/zinc/55/87/96/356558796.db2.gz KJBIDVNJDRBCLI-NSHDSACASA-N 2 0 258.366 -0.384 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000626950234 356559255 /nfs/dbraw/zinc/55/92/55/356559255.db2.gz NJUDQZNCTMHQJR-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP C[C@@H](CNC(=O)NC[C@H]1COCC[NH2+]1)[N@H+](C)C1CC1 ZINC000626969971 356560683 /nfs/dbraw/zinc/56/06/83/356560683.db2.gz IVJHFZLNNFHFRM-QWRGUYRKSA-N 2 0 270.377 -0.243 20 0 CBADRP C[C@H](CNC(=O)NC[C@@H]1COCC[NH2+]1)[N@H+](C)C1CC1 ZINC000626969967 356561111 /nfs/dbraw/zinc/56/11/11/356561111.db2.gz IVJHFZLNNFHFRM-GHMZBOCLSA-N 2 0 270.377 -0.243 20 0 CBADRP CCN(CC[NH3+])C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000626972622 356561576 /nfs/dbraw/zinc/56/15/76/356561576.db2.gz MDPRAQKVUBYAFR-LBPRGKRZSA-N 2 0 271.409 -0.388 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000627003899 356565547 /nfs/dbraw/zinc/56/55/47/356565547.db2.gz WPUWIJSNXRVIKT-NWDGAFQWSA-N 2 0 288.392 -0.759 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000627003901 356565947 /nfs/dbraw/zinc/56/59/47/356565947.db2.gz WPUWIJSNXRVIKT-VXGBXAGGSA-N 2 0 288.392 -0.759 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@@H]1CC[NH2+]C1)C2 ZINC000627073411 356573516 /nfs/dbraw/zinc/57/35/16/356573516.db2.gz ANYDAPPAZNMEGQ-RTXFEEFZSA-N 2 0 252.362 -0.011 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)NC1(C[NH3+])CCOCC1 ZINC000627036289 356569043 /nfs/dbraw/zinc/56/90/43/356569043.db2.gz VKJJHXDNLOMKCR-JTQLQIEISA-N 2 0 258.366 -0.256 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)NCCN2CC[NH2+]CC2)C[NH2+]1 ZINC000627066291 356572722 /nfs/dbraw/zinc/57/27/22/356572722.db2.gz REXYMNHFKKEGQX-VXGBXAGGSA-N 2 0 269.393 -0.669 20 0 CBADRP [NH3+]C1(CNC(=O)NC[C@@H]2CCC[NH2+]2)CCOCC1 ZINC000627073564 356573345 /nfs/dbraw/zinc/57/33/45/356573345.db2.gz JPUUVXVADODNPM-JTQLQIEISA-N 2 0 256.350 -0.455 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000626982655 356563247 /nfs/dbraw/zinc/56/32/47/356563247.db2.gz OCAGWRPTLBIXJZ-QJPTWQEYSA-N 2 0 270.377 -0.243 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627127365 356588010 /nfs/dbraw/zinc/58/80/10/356588010.db2.gz YGJFNMCHCTUKOL-NWDGAFQWSA-N 2 0 282.388 -0.363 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000627134869 356588100 /nfs/dbraw/zinc/58/81/00/356588100.db2.gz FHCTWZZUVXLIQV-GHMZBOCLSA-N 2 0 256.350 -0.550 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NCC1([NH3+])CCOCC1 ZINC000627149999 356589371 /nfs/dbraw/zinc/58/93/71/356589371.db2.gz ALMDXOWRBHHDRV-UHFFFAOYSA-N 2 0 288.392 -0.892 20 0 CBADRP CN(CC[NH+](C)C)C(=O)NCC1([NH3+])CCOCC1 ZINC000627152323 356589828 /nfs/dbraw/zinc/58/98/28/356589828.db2.gz VMUIUESUJCKNIT-UHFFFAOYSA-N 2 0 258.366 -0.303 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627156678 356590481 /nfs/dbraw/zinc/59/04/81/356590481.db2.gz GILSVSRSRYEQGI-OUAUKWLOSA-N 2 0 256.350 -0.586 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000627160087 356591004 /nfs/dbraw/zinc/59/10/04/356591004.db2.gz XEDUZUJDIZKJAK-GRYCIOLGSA-N 2 0 269.393 -0.589 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000627159432 356591301 /nfs/dbraw/zinc/59/13/01/356591301.db2.gz QNAHJXLAVNXWBC-OUAUKWLOSA-N 2 0 256.350 -0.504 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000627169603 356592133 /nfs/dbraw/zinc/59/21/33/356592133.db2.gz LLRDHVVGIMJJGU-GFCCVEGCSA-N 2 0 272.393 -0.138 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCC(C[NH3+])CC1 ZINC000627171833 356593152 /nfs/dbraw/zinc/59/31/52/356593152.db2.gz JQOYMEOMJBRTGM-UHFFFAOYSA-N 2 0 258.366 -0.397 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000627172141 356593172 /nfs/dbraw/zinc/59/31/72/356593172.db2.gz TUPZYVPQPYFPJK-RYUDHWBXSA-N 2 0 272.393 -0.009 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000627171471 356593396 /nfs/dbraw/zinc/59/33/96/356593396.db2.gz XODFGXCLUYVWAK-LBPRGKRZSA-N 2 0 258.366 -0.397 20 0 CBADRP C[NH2+]CCOCCNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000627173920 356593867 /nfs/dbraw/zinc/59/38/67/356593867.db2.gz JVQKRCVVUKTWHM-UHFFFAOYSA-N 2 0 272.393 -0.042 20 0 CBADRP C[C@@H](NC(=O)NCC[N@@H+]1CC[C@H](O)C1)[C@H]1CCC[NH2+]C1 ZINC000627070433 356573721 /nfs/dbraw/zinc/57/37/21/356573721.db2.gz URYLMNZAZLQEDD-AGIUHOORSA-N 2 0 284.404 -0.260 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000627075288 356574551 /nfs/dbraw/zinc/57/45/51/356574551.db2.gz IYQGRBJBBWYHHO-LLVKDONJSA-N 2 0 258.366 -0.384 20 0 CBADRP [NH3+]C[C@H](NC(=O)NC1(C[NH3+])CCOCC1)C1CC1 ZINC000627078262 356576442 /nfs/dbraw/zinc/57/64/42/356576442.db2.gz NZXDQGZFLNOQCC-JTQLQIEISA-N 2 0 256.350 -0.469 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627082137 356577253 /nfs/dbraw/zinc/57/72/53/356577253.db2.gz COFPWILPWDNWKH-QWRGUYRKSA-N 2 0 258.366 -0.338 20 0 CBADRP CN1CCOC[C@@H]1CNC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000627085179 356578931 /nfs/dbraw/zinc/57/89/31/356578931.db2.gz JINUYGODYAVSHX-MNOVXSKESA-N 2 0 256.350 -0.774 20 0 CBADRP CN1CCOC[C@H]1CNC(=O)NC[C@H]1CC[NH2+]C1 ZINC000627085182 356579270 /nfs/dbraw/zinc/57/92/70/356579270.db2.gz JINUYGODYAVSHX-WDEREUQCSA-N 2 0 256.350 -0.774 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000627087264 356579922 /nfs/dbraw/zinc/57/99/22/356579922.db2.gz GWRRPCBPIQESDQ-MNOVXSKESA-N 2 0 258.366 -0.480 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000627086774 356579946 /nfs/dbraw/zinc/57/99/46/356579946.db2.gz DCKNOJUKGBJAPM-NEPJUHHUSA-N 2 0 272.393 -0.138 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000627087266 356580081 /nfs/dbraw/zinc/58/00/81/356580081.db2.gz GWRRPCBPIQESDQ-WDEREUQCSA-N 2 0 258.366 -0.480 20 0 CBADRP C[C@H]1C[C@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC[NH2+]1 ZINC000627088777 356580689 /nfs/dbraw/zinc/58/06/89/356580689.db2.gz IONBDHMCXBJASR-TUAOUCFPSA-N 2 0 270.377 -0.507 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000627088395 356580726 /nfs/dbraw/zinc/58/07/26/356580726.db2.gz GUGBUSKRBARVIX-GHMZBOCLSA-N 2 0 258.366 -0.338 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)CCOCC[NH3+] ZINC000627088684 356580811 /nfs/dbraw/zinc/58/08/11/356580811.db2.gz SEXANYUYCLJBMR-GHMZBOCLSA-N 2 0 258.366 -0.399 20 0 CBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(C)CCOCC[NH3+] ZINC000627088689 356580975 /nfs/dbraw/zinc/58/09/75/356580975.db2.gz SEXANYUYCLJBMR-WDEREUQCSA-N 2 0 258.366 -0.399 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627090733 356581630 /nfs/dbraw/zinc/58/16/30/356581630.db2.gz YNHGWCXNBGDKGN-UTUOFQBUSA-N 2 0 270.377 -0.650 20 0 CBADRP C[C@@H](CCCC[NH3+])NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627092428 356581800 /nfs/dbraw/zinc/58/18/00/356581800.db2.gz BXXMANBKMAAHIJ-QWRGUYRKSA-N 2 0 258.366 -0.209 20 0 CBADRP [NH3+]CCCOCCNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000627099165 356583015 /nfs/dbraw/zinc/58/30/15/356583015.db2.gz IUQYXJYITVCXPK-MRVPVSSYSA-N 2 0 268.308 -0.367 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000627103449 356583653 /nfs/dbraw/zinc/58/36/53/356583653.db2.gz SDFGPGQJYUCBEL-RYUDHWBXSA-N 2 0 270.377 -0.242 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000627103425 356583797 /nfs/dbraw/zinc/58/37/97/356583797.db2.gz RKSSUNANCWPRSC-GRYCIOLGSA-N 2 0 270.377 -0.195 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000627176011 356594497 /nfs/dbraw/zinc/59/44/97/356594497.db2.gz GGOWCMQTIOEMIS-CYBMUJFWSA-N 2 0 282.388 -0.122 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000627107353 356584088 /nfs/dbraw/zinc/58/40/88/356584088.db2.gz XRAAFQPRLAOADS-REWJHTLYSA-N 2 0 296.415 -0.260 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627104906 356584112 /nfs/dbraw/zinc/58/41/12/356584112.db2.gz PVDZKIGAWHAZGF-DCAQKATOSA-N 2 0 258.366 -0.522 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000627106082 356584333 /nfs/dbraw/zinc/58/43/33/356584333.db2.gz PMFUXJCPSKCHNU-JHJVBQTASA-N 2 0 284.404 -0.090 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000627105359 356584728 /nfs/dbraw/zinc/58/47/28/356584728.db2.gz GKSJSMNRGPLZOB-RWMBFGLXSA-N 2 0 284.404 -0.009 20 0 CBADRP [NH3+]CC1(CCNC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627109800 356585009 /nfs/dbraw/zinc/58/50/09/356585009.db2.gz NMCJTJUOJQVBAX-JTQLQIEISA-N 2 0 256.350 -0.597 20 0 CBADRP O=C(NCCC1CC[NH2+]CC1)NC[C@H]1COCC[NH2+]1 ZINC000627110712 356585191 /nfs/dbraw/zinc/58/51/91/356585191.db2.gz KAXZPSJNZYWTGD-LBPRGKRZSA-N 2 0 270.377 -0.336 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627110889 356585388 /nfs/dbraw/zinc/58/53/88/356585388.db2.gz JKGOJOBJBRGJDS-SDDRHHMPSA-N 2 0 270.377 -0.386 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000627126443 356586655 /nfs/dbraw/zinc/58/66/55/356586655.db2.gz FYUONHYHKPMQRB-XQQFMLRXSA-N 2 0 294.399 -0.269 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000627119695 356587135 /nfs/dbraw/zinc/58/71/35/356587135.db2.gz SXVOTCGBUXIRJT-VXGBXAGGSA-N 2 0 282.388 -0.506 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCOCCC[NH3+] ZINC000627219652 356608810 /nfs/dbraw/zinc/60/88/10/356608810.db2.gz ZVRKPVFRQIBQAS-WDEREUQCSA-N 2 0 258.366 -0.256 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000627227043 356609451 /nfs/dbraw/zinc/60/94/51/356609451.db2.gz YYPPUSHGLVVPHO-NSHDSACASA-N 2 0 268.361 -0.536 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCNc1cc[nH+]cc1 ZINC000627238373 356609527 /nfs/dbraw/zinc/60/95/27/356609527.db2.gz FWPQIPFQGSOXAX-CMPLNLGQSA-N 2 0 263.345 -0.035 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000627242257 356610321 /nfs/dbraw/zinc/61/03/21/356610321.db2.gz UDRWQTKJKILEHK-NWDGAFQWSA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000627244730 356611163 /nfs/dbraw/zinc/61/11/63/356611163.db2.gz GVBKGEVYUAHQLS-RWMBFGLXSA-N 2 0 281.404 -0.574 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000627246301 356611406 /nfs/dbraw/zinc/61/14/06/356611406.db2.gz ZMDVPYYNOGNEKQ-QJPTWQEYSA-N 2 0 297.403 -0.767 20 0 CBADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627250365 356613256 /nfs/dbraw/zinc/61/32/56/356613256.db2.gz JEMLOFHIZWDFDB-CHWSQXEVSA-N 2 0 283.420 -0.327 20 0 CBADRP O=C(NCCNc1cc[nH+]cc1)NC[C@@H]1COCC[NH2+]1 ZINC000627185445 356597243 /nfs/dbraw/zinc/59/72/43/356597243.db2.gz FCYFZOCJHZRREU-GFCCVEGCSA-N 2 0 279.344 -0.797 20 0 CBADRP O=C(NCC[N@H+]1CC=CCC1)NC[C@H]1COCC[NH2+]1 ZINC000627188862 356599829 /nfs/dbraw/zinc/59/98/29/356599829.db2.gz CVAXMUUZYROUCR-LBPRGKRZSA-N 2 0 268.361 -0.464 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627188756 356600331 /nfs/dbraw/zinc/60/03/31/356600331.db2.gz GCAVPNOHEGEFGI-NSHDSACASA-N 2 0 270.377 -0.290 20 0 CBADRP CCCN(C(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000627190298 356601007 /nfs/dbraw/zinc/60/10/07/356601007.db2.gz DZCDLTAYNYKNGR-RYUDHWBXSA-N 2 0 270.377 -0.242 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000627190405 356601085 /nfs/dbraw/zinc/60/10/85/356601085.db2.gz JPNUEQOGFJTNNG-IJLUTSLNSA-N 2 0 268.361 -0.632 20 0 CBADRP CCCN(C(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000627190299 356601365 /nfs/dbraw/zinc/60/13/65/356601365.db2.gz DZCDLTAYNYKNGR-VXGBXAGGSA-N 2 0 270.377 -0.242 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C[NH2+]1 ZINC000627205202 356604836 /nfs/dbraw/zinc/60/48/36/356604836.db2.gz NXFOXALNHJQOJS-MDZLAQPJSA-N 2 0 270.377 -0.507 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)C[NH2+]1 ZINC000627207733 356605165 /nfs/dbraw/zinc/60/51/65/356605165.db2.gz DELPIAAWEXTADZ-SRVKXCTJSA-N 2 0 270.377 -0.507 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)C[NH2+]1 ZINC000627207735 356605278 /nfs/dbraw/zinc/60/52/78/356605278.db2.gz DELPIAAWEXTADZ-TUAOUCFPSA-N 2 0 270.377 -0.507 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000627349493 356630586 /nfs/dbraw/zinc/63/05/86/356630586.db2.gz PLRCRSVTTIZWNH-WDEREUQCSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000627349564 356631047 /nfs/dbraw/zinc/63/10/47/356631047.db2.gz RNMUARUDDYYJMU-GMTAPVOTSA-N 2 0 280.372 -0.794 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(CC)CC[NH3+] ZINC000627365686 356633395 /nfs/dbraw/zinc/63/33/95/356633395.db2.gz WQFXRPDHWODWBP-LLVKDONJSA-N 2 0 272.393 -0.360 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)C[NH2+]1 ZINC000627291586 356621152 /nfs/dbraw/zinc/62/11/52/356621152.db2.gz YCGXDJQTTCFBHU-JQWIXIFHSA-N 2 0 282.388 -0.547 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000627372153 356635273 /nfs/dbraw/zinc/63/52/73/356635273.db2.gz DQQLXPIGLJWCJR-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000627305298 356622962 /nfs/dbraw/zinc/62/29/62/356622962.db2.gz UGXYBTPQFNTOJY-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000627307450 356623332 /nfs/dbraw/zinc/62/33/32/356623332.db2.gz MEDMRRISXZQMCK-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627320655 356625728 /nfs/dbraw/zinc/62/57/28/356625728.db2.gz KFIKFNYNNYEPOJ-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000627323113 356625801 /nfs/dbraw/zinc/62/58/01/356625801.db2.gz NSDFUQBXZDYANU-UHFFFAOYSA-N 2 0 282.388 -0.463 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000627319581 356625815 /nfs/dbraw/zinc/62/58/15/356625815.db2.gz YNKSFXCBDXLIFF-GFCCVEGCSA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627325806 356626354 /nfs/dbraw/zinc/62/63/54/356626354.db2.gz VCCXMINCMUGFRV-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627325816 356626724 /nfs/dbraw/zinc/62/67/24/356626724.db2.gz VGRYWZKFBJQCQI-GARJFASQSA-N 2 0 270.377 -0.691 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627325804 356626862 /nfs/dbraw/zinc/62/68/62/356626862.db2.gz VCCXMINCMUGFRV-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000627425759 356644545 /nfs/dbraw/zinc/64/45/45/356644545.db2.gz ZCHJFTCWJOXZLW-QNWHQSFQSA-N 2 0 296.415 -0.301 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627429003 356645429 /nfs/dbraw/zinc/64/54/29/356645429.db2.gz USFAKOWCTADMQI-SDDRHHMPSA-N 2 0 282.388 -0.547 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(CC)CC[NH3+])C1 ZINC000627428316 356645761 /nfs/dbraw/zinc/64/57/61/356645761.db2.gz BUXBXVNCZOYODQ-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627444299 356647898 /nfs/dbraw/zinc/64/78/98/356647898.db2.gz HHOKSJIQKNFXLK-LLVKDONJSA-N 2 0 282.388 -0.593 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000627446639 356648286 /nfs/dbraw/zinc/64/82/86/356648286.db2.gz QWSIFDXLRNEKEP-RYUDHWBXSA-N 2 0 294.399 -0.402 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000627446640 356648627 /nfs/dbraw/zinc/64/86/27/356648627.db2.gz QWSIFDXLRNEKEP-VXGBXAGGSA-N 2 0 294.399 -0.402 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000627398874 356638977 /nfs/dbraw/zinc/63/89/77/356638977.db2.gz YRVBNFHBNCKCKP-WOPDTQHZSA-N 2 0 280.372 -0.793 20 0 CBADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627505266 356660425 /nfs/dbraw/zinc/66/04/25/356660425.db2.gz FUZJNGPQCIYEBQ-GFCCVEGCSA-N 2 0 294.399 -0.449 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@H]1C ZINC000627506553 356660991 /nfs/dbraw/zinc/66/09/91/356660991.db2.gz XJWQUXCLWKGXEE-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000627506554 356661681 /nfs/dbraw/zinc/66/16/81/356661681.db2.gz XJWQUXCLWKGXEE-XQQFMLRXSA-N 2 0 296.415 -0.204 20 0 CBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627507063 356661802 /nfs/dbraw/zinc/66/18/02/356661802.db2.gz YTNMZAPUTJPFDV-NWDGAFQWSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC000627476738 356653361 /nfs/dbraw/zinc/65/33/61/356653361.db2.gz KPEBBQITGFWGII-WOPDTQHZSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC000627476735 356653484 /nfs/dbraw/zinc/65/34/84/356653484.db2.gz KPEBBQITGFWGII-GRYCIOLGSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C[NH2+]1 ZINC000627477066 356654195 /nfs/dbraw/zinc/65/41/95/356654195.db2.gz QOBQURFBEUCBMM-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627502317 356659197 /nfs/dbraw/zinc/65/91/97/356659197.db2.gz RVNKXWNWFRWRIJ-RWMBFGLXSA-N 2 0 296.415 -0.347 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000627503783 356659514 /nfs/dbraw/zinc/65/95/14/356659514.db2.gz BRSSBHIIIXGGGG-CHWSQXEVSA-N 2 0 294.399 -0.449 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000627503458 356659665 /nfs/dbraw/zinc/65/96/65/356659665.db2.gz NJSDCRKEELQFQV-QJPTWQEYSA-N 2 0 296.415 -0.158 20 0 CBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)[C@H]2C1 ZINC000627504548 356660030 /nfs/dbraw/zinc/66/00/30/356660030.db2.gz UPHVZUMVDOKGGB-TUAOUCFPSA-N 2 0 280.372 -0.983 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627504128 356660128 /nfs/dbraw/zinc/66/01/28/356660128.db2.gz WTZBHCZQZJRXMY-YNEHKIRRSA-N 2 0 294.399 -0.593 20 0 CBADRP O[C@H]1CN(Cc2ccnn2-c2cc[nH+]cc2)C[C@@H]1O ZINC000628415052 356696971 /nfs/dbraw/zinc/69/69/71/356696971.db2.gz DVSBXRDZQIEMDO-STQMWFEESA-N 2 0 260.297 -0.195 20 0 CBADRP COc1cncc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000629537314 356777573 /nfs/dbraw/zinc/77/75/73/356777573.db2.gz OQZZJTPQVIRRQE-CYBMUJFWSA-N 2 0 277.372 -0.035 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)CCN1C(=O)CCC1=O ZINC000629571660 356781166 /nfs/dbraw/zinc/78/11/66/356781166.db2.gz OPJQCXCUMIXXLZ-UHFFFAOYSA-N 2 0 257.334 -0.697 20 0 CBADRP CNC(=O)NC[C@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000629554160 356778409 /nfs/dbraw/zinc/77/84/09/356778409.db2.gz BHCBWKVBEIGGIG-RYUDHWBXSA-N 2 0 298.387 -0.863 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000629170344 356751372 /nfs/dbraw/zinc/75/13/72/356751372.db2.gz XSVAAEWZLACOET-NWDGAFQWSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000629170346 356751559 /nfs/dbraw/zinc/75/15/59/356751559.db2.gz XSVAAEWZLACOET-VXGBXAGGSA-N 2 0 255.362 -0.489 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)CCN1CCO[C@H](C)C1 ZINC000629572429 356780416 /nfs/dbraw/zinc/78/04/16/356780416.db2.gz SLGURQDYLAJOPB-CYBMUJFWSA-N 2 0 259.394 -0.125 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)CCN1CCO[C@@H](C)C1 ZINC000629572430 356780983 /nfs/dbraw/zinc/78/09/83/356780983.db2.gz SLGURQDYLAJOPB-ZDUSSCGKSA-N 2 0 259.394 -0.125 20 0 CBADRP CC(C)(C)CNC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000629510696 356774773 /nfs/dbraw/zinc/77/47/73/356774773.db2.gz DUMCFFCQAIXZEA-GFCCVEGCSA-N 2 0 298.431 -0.064 20 0 CBADRP C[NH2+]CCOCC[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000629531267 356776634 /nfs/dbraw/zinc/77/66/34/356776634.db2.gz GBGDBDFFDYDGJO-OLZOCXBDSA-N 2 0 257.378 -0.421 20 0 CBADRP COC[C@@]1(C)C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000629673795 356789184 /nfs/dbraw/zinc/78/91/84/356789184.db2.gz IDOCZVHENYBSCU-DZGCQCFKSA-N 2 0 299.415 -0.079 20 0 CBADRP COC[C@]1(C)C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000629673798 356789228 /nfs/dbraw/zinc/78/92/28/356789228.db2.gz IDOCZVHENYBSCU-ZFWWWQNUSA-N 2 0 299.415 -0.079 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000629794694 356793413 /nfs/dbraw/zinc/79/34/13/356793413.db2.gz VAXXSTRRILUHQB-UHFFFAOYSA-N 2 0 284.404 -0.264 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000629800869 356794887 /nfs/dbraw/zinc/79/48/87/356794887.db2.gz CROHRXCGKLEKOS-LBPRGKRZSA-N 2 0 284.404 -0.406 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000629797957 356795134 /nfs/dbraw/zinc/79/51/34/356795134.db2.gz GXJZCILIDCGINO-RYUDHWBXSA-N 2 0 284.404 -0.265 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000629799844 356795591 /nfs/dbraw/zinc/79/55/91/356795591.db2.gz VHRZDQZDJMXXPI-ZDUSSCGKSA-N 2 0 296.415 -0.262 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000629801886 356796608 /nfs/dbraw/zinc/79/66/08/356796608.db2.gz DAXXVQFKUNMTSS-VXGBXAGGSA-N 2 0 282.388 -0.654 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000629806596 356797423 /nfs/dbraw/zinc/79/74/23/356797423.db2.gz UWHKIJUIJAJCOH-UHFFFAOYSA-N 2 0 284.404 -0.262 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000629812710 356798458 /nfs/dbraw/zinc/79/84/58/356798458.db2.gz UHGZNOAKKVACOU-UHFFFAOYSA-N 2 0 284.404 -0.406 20 0 CBADRP CC[N@H+](CC(=O)NCC[NH+]1CC[C@H](O)C1)C1CC1 ZINC000629915149 356807153 /nfs/dbraw/zinc/80/71/53/356807153.db2.gz PBTFOJGDCUOZHI-LBPRGKRZSA-N 2 0 255.362 -0.347 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)C[N@H+](C)C1CCC1 ZINC000629973875 356813592 /nfs/dbraw/zinc/81/35/92/356813592.db2.gz KHIKEZOFDFUVNF-ZDUSSCGKSA-N 2 0 257.378 -0.101 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)C12CCC[NH+](CCC1)C2 ZINC000630093713 356828100 /nfs/dbraw/zinc/82/81/00/356828100.db2.gz PEFFZWDCUBOSEL-GFCCVEGCSA-N 2 0 267.373 -0.033 20 0 CBADRP O[C@H](C[NH2+]CC1(N2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000629575423 356781538 /nfs/dbraw/zinc/78/15/38/356781538.db2.gz NJMIRDVDSPGOEU-CQSZACIVSA-N 2 0 283.416 -0.103 20 0 CBADRP O[C@@H](C[NH2+]CC1(N2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000629575416 356781640 /nfs/dbraw/zinc/78/16/40/356781640.db2.gz NJMIRDVDSPGOEU-AWEZNQCLSA-N 2 0 283.416 -0.103 20 0 CBADRP C[N@H+](CCOCC[NH3+])CCn1nc2ccccn2c1=O ZINC000629578251 356782539 /nfs/dbraw/zinc/78/25/39/356782539.db2.gz IHDKOMXEOCDJDD-UHFFFAOYSA-N 2 0 279.344 -0.597 20 0 CBADRP NC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629580156 356782617 /nfs/dbraw/zinc/78/26/17/356782617.db2.gz NQGRKQBZOSKMDB-GRYCIOLGSA-N 2 0 255.362 -0.313 20 0 CBADRP O[C@@H](C[NH2+][C@H]1CCc2nnnn2CC1)C[NH+]1CCCC1 ZINC000629579237 356782628 /nfs/dbraw/zinc/78/26/28/356782628.db2.gz CHRMXZKSRMFFRY-RYUDHWBXSA-N 2 0 280.376 -0.576 20 0 CBADRP CN(CCOCC[NH3+])C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000629578860 356782749 /nfs/dbraw/zinc/78/27/49/356782749.db2.gz WJMOHVRXTVBQHZ-GJZGRUSLSA-N 2 0 281.400 -0.176 20 0 CBADRP O[C@@H](C[NH2+]CCC1(O)CCOCC1)C[NH+]1CCCC1 ZINC000629581183 356782978 /nfs/dbraw/zinc/78/29/78/356782978.db2.gz QNHNLCMFQNYXHI-ZDUSSCGKSA-N 2 0 272.389 -0.036 20 0 CBADRP O[C@H](C[NH2+]C[C@H](O)[C@H]1CCCO1)C[NH+]1CCCC1 ZINC000629590339 356783581 /nfs/dbraw/zinc/78/35/81/356783581.db2.gz VGBLKUOCFVVYKC-FRRDWIJNSA-N 2 0 258.362 -0.427 20 0 CBADRP OC[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)O1 ZINC000629583610 356784100 /nfs/dbraw/zinc/78/41/00/356784100.db2.gz FXPBMGYIRCDBHM-UPJWGTAASA-N 2 0 258.362 -0.427 20 0 CBADRP NC(=O)C[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000629583894 356784295 /nfs/dbraw/zinc/78/42/95/356784295.db2.gz KFJVETSHLMRZTP-RYUDHWBXSA-N 2 0 255.362 -0.048 20 0 CBADRP OC[C@@H](C[NH+]1CCCCC1)NC[C@H](O)C[NH+]1CCCC1 ZINC000629596024 356784756 /nfs/dbraw/zinc/78/47/56/356784756.db2.gz QADQRNGGCSXGER-CABCVRRESA-N 2 0 285.432 -0.121 20 0 CBADRP OC[C@H](C[NH+]1CCCC1)NC[C@H](O)C[NH+]1CCCC1 ZINC000629596048 356785199 /nfs/dbraw/zinc/78/51/99/356785199.db2.gz QTTNURBNPXSDSH-KBPBESRZSA-N 2 0 271.405 -0.511 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000629608227 356786817 /nfs/dbraw/zinc/78/68/17/356786817.db2.gz WCBXJFKEDPXVCS-KFWWJZLASA-N 2 0 283.416 -0.248 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000629610027 356787363 /nfs/dbraw/zinc/78/73/63/356787363.db2.gz ZNORLHCQHOZXNL-KGLIPLIRSA-N 2 0 298.431 -0.628 20 0 CBADRP CC[C@H](NC(C)=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000630931401 356867814 /nfs/dbraw/zinc/86/78/14/356867814.db2.gz QGBNWOJGJHZWJB-ZDUSSCGKSA-N 2 0 286.420 -0.147 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC([NH3+])CC2)CC1 ZINC000630343949 356835734 /nfs/dbraw/zinc/83/57/34/356835734.db2.gz YSBRYUSKTUDDDV-UHFFFAOYSA-N 2 0 296.415 -0.216 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(F)F)[C@](C)(C[NH3+])C1 ZINC000630373480 356840358 /nfs/dbraw/zinc/84/03/58/356840358.db2.gz KGSPWAYVQFIZDN-LAEOZQHASA-N 2 0 265.304 -0.066 20 0 CBADRP COCC[NH2+]CCc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630604897 356854312 /nfs/dbraw/zinc/85/43/12/356854312.db2.gz DZFQUSOVLDTQLH-NSHDSACASA-N 2 0 253.350 -0.191 20 0 CBADRP COCC[C@@H]([NH3+])Cc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630605730 356854630 /nfs/dbraw/zinc/85/46/30/356854630.db2.gz OBQQVOYUIKVRKU-MNOVXSKESA-N 2 0 253.350 -0.064 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631821155 356908772 /nfs/dbraw/zinc/90/87/72/356908772.db2.gz QJDMEDXJEDLFEO-RYUDHWBXSA-N 2 0 292.387 -0.448 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631821153 356908989 /nfs/dbraw/zinc/90/89/89/356908989.db2.gz QJDMEDXJEDLFEO-NEPJUHHUSA-N 2 0 292.387 -0.448 20 0 CBADRP O=C(CCN[C@]12CCC[C@@H]1C[NH2+]C2)N1CC[NH2+]CC1 ZINC000631867584 356914711 /nfs/dbraw/zinc/91/47/11/356914711.db2.gz DRDIWZIKGPTTOL-OCCSQVGLSA-N 2 0 266.389 -0.460 20 0 CBADRP [NH3+]C1(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CCCCC1 ZINC000631900142 356917174 /nfs/dbraw/zinc/91/71/74/356917174.db2.gz ILZKKSHUOKRUJE-NSHDSACASA-N 2 0 291.417 -0.444 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631901737 356917747 /nfs/dbraw/zinc/91/77/47/356917747.db2.gz MRGPRRJLRPWLEO-SDDRHHMPSA-N 2 0 291.417 -0.494 20 0 CBADRP CC[NH2+]CCCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631901815 356917803 /nfs/dbraw/zinc/91/78/03/356917803.db2.gz PFVYDSWBNFCAHF-UHFFFAOYSA-N 2 0 278.422 -0.496 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000631901890 356917972 /nfs/dbraw/zinc/91/79/72/356917972.db2.gz BARDJQHYIKIJOE-LLVKDONJSA-N 2 0 290.433 -0.353 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000631902601 356918559 /nfs/dbraw/zinc/91/85/59/356918559.db2.gz MNRYIDDYTPQDGX-LLVKDONJSA-N 2 0 263.407 0.000 20 0 CBADRP [NH3+]C1CCC(NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631902904 356918958 /nfs/dbraw/zinc/91/89/58/356918958.db2.gz UJIWKWLHOYFSKG-ILDUYXDCSA-N 2 0 277.390 -0.836 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCC[NH2+]C1CC1 ZINC000631903239 356919020 /nfs/dbraw/zinc/91/90/20/356919020.db2.gz CMCHTCTXGPPXGQ-UHFFFAOYSA-N 2 0 276.406 -0.743 20 0 CBADRP C[NH+]1CCN(CCCS(=O)(=O)NC(C)(C)C[NH3+])CC1 ZINC000631903913 356919444 /nfs/dbraw/zinc/91/94/44/356919444.db2.gz YMDPWADJOZGKMK-UHFFFAOYSA-N 2 0 292.449 -0.719 20 0 CBADRP C[C@H](C[NH3+])N(C)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631904177 356919606 /nfs/dbraw/zinc/91/96/06/356919606.db2.gz GRRYWJJCFGZGSB-SECBINFHSA-N 2 0 264.395 -0.806 20 0 CBADRP C[C@@H]([NH3+])C1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631903951 356919737 /nfs/dbraw/zinc/91/97/37/356919737.db2.gz ZNZOSQCUMFTRGF-ZYHUDNBSSA-N 2 0 291.417 -0.636 20 0 CBADRP CCC(CC)(C[NH3+])NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631904377 356919822 /nfs/dbraw/zinc/91/98/22/356919822.db2.gz LYRKVLACMULLGM-SNVBAGLBSA-N 2 0 279.406 -0.588 20 0 CBADRP C[C@@H]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)[C@H]1C[NH3+] ZINC000631905503 356920153 /nfs/dbraw/zinc/92/01/53/356920153.db2.gz OPSLJRXITVYARD-UTUOFQBUSA-N 2 0 291.417 -0.636 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)CCC[NH+](C)C)CC[C@@H]1[NH3+] ZINC000631905535 356920601 /nfs/dbraw/zinc/92/06/01/356920601.db2.gz PGZCDGZQTMWFAG-MNOVXSKESA-N 2 0 263.407 -0.063 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)CCC[NH+](C)C)CCO1 ZINC000631907915 356921288 /nfs/dbraw/zinc/92/12/88/356921288.db2.gz XDELOEHEZHHEQO-WDEREUQCSA-N 2 0 279.406 -0.684 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCC[NH+](C)C ZINC000631908873 356922096 /nfs/dbraw/zinc/92/20/96/356922096.db2.gz DFQRWCAPLZRYIH-UHFFFAOYSA-N 2 0 264.395 -0.934 20 0 CBADRP CCCC[N@H+](C)CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631919938 356922865 /nfs/dbraw/zinc/92/28/65/356922865.db2.gz PBTRXXUQHVYZRI-LBPRGKRZSA-N 2 0 293.433 -0.374 20 0 CBADRP C[C@H]1CN(S(=O)(=O)N(C)C2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000631929307 356924274 /nfs/dbraw/zinc/92/42/74/356924274.db2.gz BUCNVFGSBHQVPS-QWRGUYRKSA-N 2 0 290.433 -0.403 20 0 CBADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000631930872 356924704 /nfs/dbraw/zinc/92/47/04/356924704.db2.gz AWTIDWOMJJVDPH-HAQNSBGRSA-N 2 0 290.433 -0.967 20 0 CBADRP CC[NH2+][C@H](C)CNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631933551 356926116 /nfs/dbraw/zinc/92/61/16/356926116.db2.gz GIVXEDOIUOJMTD-SNVBAGLBSA-N 2 0 278.422 -0.497 20 0 CBADRP C[C@@H](CC[NH3+])NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631932810 356926284 /nfs/dbraw/zinc/92/62/84/356926284.db2.gz ZPHXZQCFZOTQOO-VIFPVBQESA-N 2 0 264.395 -0.758 20 0 CBADRP [NH3+]C[C@@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)C1CCCC1 ZINC000631932416 356926344 /nfs/dbraw/zinc/92/63/44/356926344.db2.gz OPEIDQCXOYMFOJ-VXGBXAGGSA-N 2 0 291.417 -0.588 20 0 CBADRP C[C@@H]1[NH2+]CCN(S(=O)(=O)N(C)C2CC[NH2+]CC2)[C@H]1C ZINC000631935114 356927152 /nfs/dbraw/zinc/92/71/52/356927152.db2.gz DGXNNLODUWPBMJ-QWRGUYRKSA-N 2 0 290.433 -0.403 20 0 CBADRP CC[C@H]([NH3+])CNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631939482 356928773 /nfs/dbraw/zinc/92/87/73/356928773.db2.gz BKNDFGFWHZGSQI-VIFPVBQESA-N 2 0 264.395 -0.758 20 0 CBADRP C[C@@H](CCC[NH3+])NS(=O)(=O)CCC[NH+](C)C ZINC000631939497 356928854 /nfs/dbraw/zinc/92/88/54/356928854.db2.gz BVRFJNBOBADQQO-JTQLQIEISA-N 2 0 251.396 -0.015 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@H]1CC12CC[NH2+]CC2 ZINC000631939393 356928866 /nfs/dbraw/zinc/92/88/66/356928866.db2.gz ZEBFUYNNEZXYDC-QWRGUYRKSA-N 2 0 289.401 -0.964 20 0 CBADRP C[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)[C@H](C)[NH3+] ZINC000631939470 356928928 /nfs/dbraw/zinc/92/89/28/356928928.db2.gz AWWWDQMRVGKBMG-NWDGAFQWSA-N 2 0 292.449 -0.721 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000631940829 356929546 /nfs/dbraw/zinc/92/95/46/356929546.db2.gz HPVQKOUKFHFEHN-LLVKDONJSA-N 2 0 279.406 -0.764 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000631941448 356929572 /nfs/dbraw/zinc/92/95/72/356929572.db2.gz XLQYWHUIWLURKX-UHFFFAOYSA-N 3 0 280.438 -0.733 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCCC[NH2+]C1CC1 ZINC000631942045 356929774 /nfs/dbraw/zinc/92/97/74/356929774.db2.gz ODDLNAZIDVZKTL-NSHDSACASA-N 2 0 277.390 -0.964 20 0 CBADRP CN(C1(C[NH3+])CCC1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631940997 356929780 /nfs/dbraw/zinc/92/97/80/356929780.db2.gz LPKMPOVOFJQZCL-JTQLQIEISA-N 2 0 277.390 -0.882 20 0 CBADRP C[C@@H]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C[C@@H]1C[NH3+] ZINC000631944114 356930374 /nfs/dbraw/zinc/93/03/74/356930374.db2.gz ONRUUBHEKHFNKQ-WOPDTQHZSA-N 2 0 291.417 -0.779 20 0 CBADRP O=S(=O)(CCC[NH+]1CCCC1)NC[C@@H]1C[NH2+]CCO1 ZINC000631943886 356930595 /nfs/dbraw/zinc/93/05/95/356930595.db2.gz IGYWHLHXMSZAIH-LBPRGKRZSA-N 2 0 291.417 -0.620 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000631942173 356930600 /nfs/dbraw/zinc/93/06/00/356930600.db2.gz QWKHULUFFQCRIL-QWRGUYRKSA-N 2 0 263.407 -0.015 20 0 CBADRP CC(C)(CC[NH3+])NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631946352 356931345 /nfs/dbraw/zinc/93/13/45/356931345.db2.gz YKIMECMYBNHVJO-SECBINFHSA-N 2 0 265.379 -0.978 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631947074 356931390 /nfs/dbraw/zinc/93/13/90/356931390.db2.gz TZDNTSVNGOVRTG-UWVGGRQHSA-N 2 0 278.422 -0.370 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631949316 356932123 /nfs/dbraw/zinc/93/21/23/356932123.db2.gz ZXXMYGRVIVOAFR-MXWKQRLJSA-N 2 0 277.390 -0.884 20 0 CBADRP CC(C)[C@H]([NH3+])CCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631952746 356932525 /nfs/dbraw/zinc/93/25/25/356932525.db2.gz RXXHEZPKEVDDNP-GFCCVEGCSA-N 2 0 292.449 -0.122 20 0 CBADRP C[NH2+]CCOCCN(C)S(=O)(=O)CCC[NH+](C)C ZINC000631954110 356934064 /nfs/dbraw/zinc/93/40/64/356934064.db2.gz BPJPYEDOJTVYOK-UHFFFAOYSA-N 2 0 281.422 -0.564 20 0 CBADRP C[NH+](C)CCNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631638722 356898594 /nfs/dbraw/zinc/89/85/94/356898594.db2.gz GEEMSDFBQSPRRG-UHFFFAOYSA-N 2 0 292.449 -0.895 20 0 CBADRP CNS(=O)(=O)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000631708717 356902182 /nfs/dbraw/zinc/90/21/82/356902182.db2.gz GMYYBJLLRLKRGI-GHMZBOCLSA-N 2 0 263.407 -0.002 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000632538538 357000123 /nfs/dbraw/zinc/00/01/23/357000123.db2.gz OYUGGQBDPRLKAH-NWDGAFQWSA-N 2 0 291.417 -0.981 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633078603 357040815 /nfs/dbraw/zinc/04/08/15/357040815.db2.gz NBXHGWIXAPPOMM-TXEJJXNPSA-N 2 0 282.388 -0.641 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633089674 357042002 /nfs/dbraw/zinc/04/20/02/357042002.db2.gz ZYVVSTOLAJJVOT-TUAOUCFPSA-N 2 0 280.372 -0.888 20 0 CBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)[C@@H]2C1 ZINC000633099981 357045242 /nfs/dbraw/zinc/04/52/42/357045242.db2.gz MJZAAZGIZRMSGH-ZDEQEGDKSA-N 2 0 292.383 -0.888 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633099391 357045704 /nfs/dbraw/zinc/04/57/04/357045704.db2.gz QIADYBWPAYMSFN-BETUJISGSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633103262 357045978 /nfs/dbraw/zinc/04/59/78/357045978.db2.gz MIRZVJDJBTYNAV-STQMWFEESA-N 2 0 294.399 -0.452 20 0 CBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633104188 357046001 /nfs/dbraw/zinc/04/60/01/357046001.db2.gz WMKAUDKMWVVZJY-RYUDHWBXSA-N 2 0 294.399 -0.498 20 0 CBADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633115070 357048652 /nfs/dbraw/zinc/04/86/52/357048652.db2.gz MRQWHXHKJZMUCT-STQMWFEESA-N 2 0 294.399 -0.641 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000633116124 357049368 /nfs/dbraw/zinc/04/93/68/357049368.db2.gz PFSBXIBAOJFHTC-WOPDTQHZSA-N 2 0 282.388 -0.513 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000633117996 357050161 /nfs/dbraw/zinc/05/01/61/357050161.db2.gz HEBFYGFMVRZXEQ-NNYUYHANSA-N 2 0 280.372 -0.903 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000633118257 357050168 /nfs/dbraw/zinc/05/01/68/357050168.db2.gz IDVHGVVTCDZLQG-NEPJUHHUSA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000633138013 357051103 /nfs/dbraw/zinc/05/11/03/357051103.db2.gz BEBLBXKZDBLCMY-UPJWGTAASA-N 2 0 292.383 -0.593 20 0 CBADRP O=C(NC[C@@H]1CCCC[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000634270771 357114216 /nfs/dbraw/zinc/11/42/16/357114216.db2.gz PPNMGLQVPJTQLG-KBPBESRZSA-N 2 0 295.431 -0.182 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634741586 357131946 /nfs/dbraw/zinc/13/19/46/357131946.db2.gz IGQMRADHTLIQMB-BNOWGMLFSA-N 2 0 268.405 -0.277 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1C[NH2+]CCO1)C2 ZINC000634744010 357132478 /nfs/dbraw/zinc/13/24/78/357132478.db2.gz LFKFDNBKTOCVFE-RTXFEEFZSA-N 2 0 253.346 -0.567 20 0 CBADRP O=C([C@@H]1CCCN(CC23CC(C2)C[NH2+]3)C1)N1CC[NH2+]CC1 ZINC000634991087 357141573 /nfs/dbraw/zinc/14/15/73/357141573.db2.gz PHKHTKNZJQWHPC-NPCAHTBFSA-N 2 0 292.427 -0.118 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCN1CCCS1(=O)=O ZINC000635005217 357142272 /nfs/dbraw/zinc/14/22/72/357142272.db2.gz SNAMRVGHYBOOLI-MNOVXSKESA-N 2 0 261.391 -0.119 20 0 CBADRP COC[C@@H](CCC[NH3+])[NH2+]CCCN1CCCS1(=O)=O ZINC000635002934 357142485 /nfs/dbraw/zinc/14/24/85/357142485.db2.gz BWVLOYZCNIAQTK-GFCCVEGCSA-N 2 0 293.433 -0.245 20 0 CBADRP CNS(=O)(=O)CCC[NH2+][C@H](CCC[NH3+])COC ZINC000635005146 357142523 /nfs/dbraw/zinc/14/25/23/357142523.db2.gz GZAGWFDRVSHPMD-SNVBAGLBSA-N 2 0 267.395 -0.731 20 0 CBADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCN1CCCS1(=O)=O ZINC000635005220 357142809 /nfs/dbraw/zinc/14/28/09/357142809.db2.gz SNAMRVGHYBOOLI-WDEREUQCSA-N 2 0 261.391 -0.119 20 0 CBADRP C[C@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[NH+](C)C ZINC000635497926 357168942 /nfs/dbraw/zinc/16/89/42/357168942.db2.gz QGUCYDWJEQSQCS-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H](C)[NH+](C)C)NC(=O)[C@@H](C)[NH+](C)C ZINC000635499550 357169243 /nfs/dbraw/zinc/16/92/43/357169243.db2.gz GHMUZMFAOABUMO-UTUOFQBUSA-N 2 0 286.420 -0.102 20 0 CBADRP CC(C)[C@H]1CN(C(=O)CN2CCNCC2=O)CC[N@@H+]1C ZINC000634300729 357115576 /nfs/dbraw/zinc/11/55/76/357115576.db2.gz JHVVHSMXIUUARJ-GFCCVEGCSA-N 2 0 282.388 -0.783 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@]1(N)CC1(F)F ZINC000634296756 357115974 /nfs/dbraw/zinc/11/59/74/357115974.db2.gz OOXTWXNZAVMXMV-LLVKDONJSA-N 2 0 278.347 -0.277 20 0 CBADRP C[NH2+]C[C@H](O)CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719888 357129385 /nfs/dbraw/zinc/12/93/85/357129385.db2.gz AXNGGKZWSARGQH-JKSUJKDBSA-N 2 0 293.411 -0.207 20 0 CBADRP C[NH2+]C[C@@H](O)CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719885 357129466 /nfs/dbraw/zinc/12/94/66/357129466.db2.gz AXNGGKZWSARGQH-CVEARBPZSA-N 2 0 293.411 -0.207 20 0 CBADRP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCO)[NH+](C)C ZINC000635975274 357242123 /nfs/dbraw/zinc/24/21/23/357242123.db2.gz OHPHGMHOPQGZSE-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1O ZINC000635948354 357237799 /nfs/dbraw/zinc/23/77/99/357237799.db2.gz MCEDDJGNRUPKNN-STQMWFEESA-N 2 0 299.415 -0.522 20 0 CBADRP C[C@H](CNC(=O)[C@@H](C)[NH+](C)C)N(C)C(=O)[C@@H](C)[NH+](C)C ZINC000635545063 357174643 /nfs/dbraw/zinc/17/46/43/357174643.db2.gz PNEUDLFEVGTLRS-IJLUTSLNSA-N 2 0 286.420 -0.150 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635555516 357176633 /nfs/dbraw/zinc/17/66/33/357176633.db2.gz DMMMTSJIGDATHF-GFCCVEGCSA-N 2 0 256.394 -0.310 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000636596604 357292155 /nfs/dbraw/zinc/29/21/55/357292155.db2.gz SUSISALAZONIJA-BFHYXJOUSA-N 2 0 296.415 -0.021 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636665498 357295118 /nfs/dbraw/zinc/29/51/18/357295118.db2.gz LPMZERYTEMFZCJ-RYUDHWBXSA-N 2 0 272.393 -0.308 20 0 CBADRP C[C@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+](C)C1CC1 ZINC000636732864 357299530 /nfs/dbraw/zinc/29/95/30/357299530.db2.gz YBKKNINLVKVGOD-YPMHNXCESA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+](C)C1CC1 ZINC000636732862 357299722 /nfs/dbraw/zinc/29/97/22/357299722.db2.gz YBKKNINLVKVGOD-DGCLKSJQSA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@H](C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)[NH+](C)C ZINC000635977258 357243085 /nfs/dbraw/zinc/24/30/85/357243085.db2.gz YVQGSYVWXQBDEV-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H](C(=O)N[C@H]1CCC[N@H+](CCCO)C1)[NH+](C)C ZINC000635977255 357243244 /nfs/dbraw/zinc/24/32/44/357243244.db2.gz YVQGSYVWXQBDEV-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@@H+]1C ZINC000636844691 357307159 /nfs/dbraw/zinc/30/71/59/357307159.db2.gz KYQFEQASYFSJQW-AGIUHOORSA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@H]1C[C@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@@H+]1C ZINC000636844697 357307234 /nfs/dbraw/zinc/30/72/34/357307234.db2.gz KYQFEQASYFSJQW-XQQFMLRXSA-N 2 0 284.404 -0.165 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000636047479 357255787 /nfs/dbraw/zinc/25/57/87/357255787.db2.gz KCPSFRIDNNSQKO-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000636140055 357267904 /nfs/dbraw/zinc/26/79/04/357267904.db2.gz MFDIPOCMKKXFOA-RWMBFGLXSA-N 2 0 267.373 -0.394 20 0 CBADRP C[C@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+](C)C ZINC000636256705 357275053 /nfs/dbraw/zinc/27/50/53/357275053.db2.gz WMZRRBMWQRRNSH-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000636314072 357279385 /nfs/dbraw/zinc/27/93/85/357279385.db2.gz IUJNVFYPEYPAGN-NDBYEHHHSA-N 2 0 296.415 -0.302 20 0 CBADRP [NH3+]C[C@]1(C(=O)NC[C@H]2CCC[NH2+]C2)CCCOC1 ZINC000637815088 357369593 /nfs/dbraw/zinc/36/95/93/357369593.db2.gz RTPYNXVDIVPIKA-WCQYABFASA-N 2 0 255.362 -0.142 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000637816631 357370964 /nfs/dbraw/zinc/37/09/64/357370964.db2.gz JUISCSAOBXKGDO-LLVKDONJSA-N 2 0 265.361 -0.121 20 0 CBADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000637830096 357373072 /nfs/dbraw/zinc/37/30/72/357373072.db2.gz RDEGJMXUVIXENI-ZWNOBZJWSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000637834568 357373593 /nfs/dbraw/zinc/37/35/93/357373593.db2.gz FDWBWFCYNZNJPN-AAEUAGOBSA-N 2 0 255.362 -0.190 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000637834570 357373635 /nfs/dbraw/zinc/37/36/35/357373635.db2.gz FDWBWFCYNZNJPN-WCQYABFASA-N 2 0 255.362 -0.190 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000636923885 357312268 /nfs/dbraw/zinc/31/22/68/357312268.db2.gz ZUEWBNAACWXYMG-KWCYVHTRSA-N 2 0 296.415 -0.165 20 0 CBADRP C[NH2+]CC1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000637838582 357374769 /nfs/dbraw/zinc/37/47/69/357374769.db2.gz YJUGHSGFSVEZBT-UHFFFAOYSA-N 2 0 254.378 -0.650 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000637283635 357337376 /nfs/dbraw/zinc/33/73/76/357337376.db2.gz WILINDZGILNGJZ-CHWSQXEVSA-N 2 0 284.404 -0.164 20 0 CBADRP O=C(NCC[NH2+]C1CC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000637347933 357339398 /nfs/dbraw/zinc/33/93/98/357339398.db2.gz NVCBHCGDBJPBID-CYBMUJFWSA-N 2 0 284.404 -0.116 20 0 CBADRP O=C(NCC[NH2+]C1CC1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000637347758 357339571 /nfs/dbraw/zinc/33/95/71/357339571.db2.gz KBBHLZJQYBCXJF-ZDUSSCGKSA-N 2 0 284.404 -0.116 20 0 CBADRP CC1(C)CN(C(=O)NC[C@H]2CCC[NH2+]2)CC[N@@H+]1CCO ZINC000637719178 357362637 /nfs/dbraw/zinc/36/26/37/357362637.db2.gz XCYHDCKKPDGZPO-GFCCVEGCSA-N 2 0 284.404 -0.164 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000637800115 357365056 /nfs/dbraw/zinc/36/50/56/357365056.db2.gz YKFZTXDUSZDKJB-AAEUAGOBSA-N 2 0 255.362 -0.177 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000637798619 357365311 /nfs/dbraw/zinc/36/53/11/357365311.db2.gz OJVOKQSBPXJSJE-CYBMUJFWSA-N 2 0 268.405 -0.260 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000637801743 357366765 /nfs/dbraw/zinc/36/67/65/357366765.db2.gz MVTINMFEOSDVLO-LBPRGKRZSA-N 2 0 265.361 -0.121 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2CCC[NH2+]C2)cn1 ZINC000637806250 357367906 /nfs/dbraw/zinc/36/79/06/357367906.db2.gz VOQJZNWUQKCYEA-LBPRGKRZSA-N 2 0 265.361 -0.074 20 0 CBADRP COc1cccc([C@@H]([NH3+])C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000637810359 357368884 /nfs/dbraw/zinc/36/88/84/357368884.db2.gz HDICFXDKEQSLOM-CQSZACIVSA-N 2 0 292.383 -0.284 20 0 CBADRP CC(C)CC[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000637811198 357368937 /nfs/dbraw/zinc/36/89/37/357368937.db2.gz NQENGYWSOQTFTB-LBPRGKRZSA-N 2 0 256.394 -0.229 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000638236290 357441063 /nfs/dbraw/zinc/44/10/63/357441063.db2.gz AUSMTSVZUUFUSC-YDHLFZDLSA-N 2 0 296.415 -0.741 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000638238838 357441545 /nfs/dbraw/zinc/44/15/45/357441545.db2.gz CRHJIYYYGJMQLA-CQSZACIVSA-N 2 0 280.416 -0.260 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000638236287 357441736 /nfs/dbraw/zinc/44/17/36/357441736.db2.gz AUSMTSVZUUFUSC-IPYPFGDCSA-N 2 0 296.415 -0.741 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2CC23CC[NH2+]CC3)C[NH2+]CCO1 ZINC000638243801 357442009 /nfs/dbraw/zinc/44/20/09/357442009.db2.gz CGJMOSFJRNYSCD-ZYHUDNBSSA-N 2 0 253.346 -0.377 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638054451 357405991 /nfs/dbraw/zinc/40/59/91/357405991.db2.gz DHZWTQJCSIIWCN-RWMBFGLXSA-N 2 0 285.388 -0.424 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638058540 357407409 /nfs/dbraw/zinc/40/74/09/357407409.db2.gz QWOILWLWLYMVJI-UKRRQHHQSA-N 2 0 299.415 -0.162 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000638240272 357442144 /nfs/dbraw/zinc/44/21/44/357442144.db2.gz ICUKSNBRNGHDRS-KBPBESRZSA-N 2 0 280.416 -0.166 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638058541 357407954 /nfs/dbraw/zinc/40/79/54/357407954.db2.gz QWOILWLWLYMVJI-ZFWWWQNUSA-N 2 0 299.415 -0.162 20 0 CBADRP C[C@]1(C(=O)NCCCC[NH+]2CCOCC2)C[NH2+]CCO1 ZINC000638066865 357408599 /nfs/dbraw/zinc/40/85/99/357408599.db2.gz NIGUQSHRJGWOKT-CQSZACIVSA-N 2 0 285.388 -0.407 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000638067676 357408796 /nfs/dbraw/zinc/40/87/96/357408796.db2.gz SWIFZULDSHFCIT-NEPJUHHUSA-N 2 0 271.361 -0.669 20 0 CBADRP CC1CC[NH+](CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638069143 357409626 /nfs/dbraw/zinc/40/96/26/357409626.db2.gz HTEMJUICDPWLQI-NWDGAFQWSA-N 2 0 255.362 -0.049 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638070788 357410038 /nfs/dbraw/zinc/41/00/38/357410038.db2.gz AGKMPWZVBXECNU-WDEREUQCSA-N 2 0 259.350 -0.813 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC000638069927 357410058 /nfs/dbraw/zinc/41/00/58/357410058.db2.gz NQAPPOGIBBNRBX-DZGCQCFKSA-N 2 0 299.415 -0.284 20 0 CBADRP CC[NH2+][C@H](C)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000638070641 357410208 /nfs/dbraw/zinc/41/02/08/357410208.db2.gz TUEZJVVSYZFACH-LLVKDONJSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])C[NH+]1CCCC1 ZINC000638074623 357410904 /nfs/dbraw/zinc/41/09/04/357410904.db2.gz NIKKQPXZHZUBEY-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000638077364 357412053 /nfs/dbraw/zinc/41/20/53/357412053.db2.gz RRFNEXPLKSGVJO-GVXVVHGQSA-N 2 0 255.362 -0.036 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638078157 357412223 /nfs/dbraw/zinc/41/22/23/357412223.db2.gz DVIORVTYXGBYBQ-HIFRSBDPSA-N 2 0 299.415 -0.020 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638079935 357412380 /nfs/dbraw/zinc/41/23/80/357412380.db2.gz XHRBLLGHVVGWQA-HNNXBMFYSA-N 2 0 299.415 -0.031 20 0 CBADRP CC[NH+]1CCC(CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638077872 357412656 /nfs/dbraw/zinc/41/26/56/357412656.db2.gz CFQHCWFLTUPCJT-NWDGAFQWSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638078610 357412836 /nfs/dbraw/zinc/41/28/36/357412836.db2.gz DELSISXDILDXCB-UONOGXRCSA-N 2 0 298.431 -0.508 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638242866 357442431 /nfs/dbraw/zinc/44/24/31/357442431.db2.gz IRPJNKYXPIBRJA-IMRBUKKESA-N 2 0 285.388 -0.695 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638097330 357416169 /nfs/dbraw/zinc/41/61/69/357416169.db2.gz UFKCZGJKBNJLPN-AAEUAGOBSA-N 2 0 255.362 -0.083 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638100123 357417147 /nfs/dbraw/zinc/41/71/47/357417147.db2.gz OZJSMKHNKRAHQF-JSGCOSHPSA-N 2 0 285.388 -0.408 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638100539 357417329 /nfs/dbraw/zinc/41/73/29/357417329.db2.gz PZIWTPKTVOTGDF-NFAWXSAZSA-N 2 0 299.415 -0.020 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cnc(C[NH3+])nc1 ZINC000638100521 357417384 /nfs/dbraw/zinc/41/73/84/357417384.db2.gz PWVLBISLODGIAP-LBPRGKRZSA-N 2 0 293.371 -0.224 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000638102975 357417955 /nfs/dbraw/zinc/41/79/55/357417955.db2.gz YFALRXHQXOPWPE-ZDUSSCGKSA-N 2 0 266.389 -0.508 20 0 CBADRP C[C@@]1(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[NH2+]CCO1 ZINC000638102661 357418717 /nfs/dbraw/zinc/41/87/17/357418717.db2.gz WHPNIRNFIJBBIY-OCCSQVGLSA-N 2 0 267.373 -0.035 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638125164 357421635 /nfs/dbraw/zinc/42/16/35/357421635.db2.gz IMXRXCHCYFATRW-HNNXBMFYSA-N 2 0 299.415 -0.031 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000638123872 357422293 /nfs/dbraw/zinc/42/22/93/357422293.db2.gz XRBLKKWYJASVHD-UHFFFAOYSA-N 2 0 296.415 -0.785 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638122086 357422337 /nfs/dbraw/zinc/42/23/37/357422337.db2.gz HTMQVSAQRRQJOM-TZMCWYRMSA-N 2 0 287.404 -0.162 20 0 CBADRP [NH3+]C[C@]1(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CCCOC1 ZINC000638247536 357442836 /nfs/dbraw/zinc/44/28/36/357442836.db2.gz NZOVNLROWZKSPW-SGMGOOAPSA-N 2 0 267.373 -0.048 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638129503 357423372 /nfs/dbraw/zinc/42/33/72/357423372.db2.gz AIBJXURHHYGWKQ-GRYCIOLGSA-N 2 0 273.377 -0.424 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638127371 357423399 /nfs/dbraw/zinc/42/33/99/357423399.db2.gz VKHUPAOFVLHBCK-DGCLKSJQSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638135919 357423627 /nfs/dbraw/zinc/42/36/27/357423627.db2.gz VSVXWQXGJRKUQN-WCQYABFASA-N 2 0 266.389 -0.510 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638134733 357423909 /nfs/dbraw/zinc/42/39/09/357423909.db2.gz OIFVKIGMXNDBEA-NUGNTBJXSA-N 2 0 253.346 -0.299 20 0 CBADRP CC[NH2+][C@H](C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000638137617 357424059 /nfs/dbraw/zinc/42/40/59/357424059.db2.gz XDRJRNZNSBWHPW-GFCCVEGCSA-N 2 0 256.394 -0.262 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638134023 357424092 /nfs/dbraw/zinc/42/40/92/357424092.db2.gz LBNJGQRYYBAEQF-OSMZGAPFSA-N 2 0 267.373 -0.036 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638135834 357424459 /nfs/dbraw/zinc/42/44/59/357424459.db2.gz CUSSKPZGTCSOQF-AWEZNQCLSA-N 2 0 284.404 -0.895 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000638141707 357424716 /nfs/dbraw/zinc/42/47/16/357424716.db2.gz VIALLQNBSZNKQX-IPYPFGDCSA-N 2 0 298.431 -0.495 20 0 CBADRP C[C@@H](CNC(=O)C1=CC[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000638139958 357424814 /nfs/dbraw/zinc/42/48/14/357424814.db2.gz IJJLOJAOBHOWJE-AAEUAGOBSA-N 2 0 266.389 -0.214 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000638141055 357425062 /nfs/dbraw/zinc/42/50/62/357425062.db2.gz RCWUCRYHOFESAG-NEPJUHHUSA-N 2 0 256.394 -0.264 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638139024 357425124 /nfs/dbraw/zinc/42/51/24/357425124.db2.gz AVSCMOMTHISHMQ-TZMCWYRMSA-N 2 0 284.404 -0.883 20 0 CBADRP C[C@H](CNC(=O)[C@]1(C[NH3+])CCCOC1)N1CC[NH+](C)CC1 ZINC000638139054 357425378 /nfs/dbraw/zinc/42/53/78/357425378.db2.gz BPIJKTRHSQQIAW-HIFRSBDPSA-N 2 0 298.431 -0.506 20 0 CBADRP O=C(CN1CC[NH2+]CC1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000638151157 357425834 /nfs/dbraw/zinc/42/58/34/357425834.db2.gz FQKSYXGFBTVPOH-UHFFFAOYSA-N 2 0 275.356 -0.429 20 0 CBADRP CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000638148063 357425950 /nfs/dbraw/zinc/42/59/50/357425950.db2.gz VGCXJEPIPPUBRT-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638145845 357426072 /nfs/dbraw/zinc/42/60/72/357426072.db2.gz OGWNSUNLXPSQOJ-NQBHXWOUSA-N 2 0 255.362 -0.062 20 0 CBADRP CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000638148057 357426334 /nfs/dbraw/zinc/42/63/34/357426334.db2.gz VGCXJEPIPPUBRT-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@]1(C(=O)N2CCC3(CC[NH2+]C3)CC2)C[NH2+]CCO1 ZINC000638246982 357443066 /nfs/dbraw/zinc/44/30/66/357443066.db2.gz MQVRIYOQKXMUIV-CYBMUJFWSA-N 2 0 267.373 -0.033 20 0 CBADRP COc1cccc(C[C@@H]([NH3+])C(=O)NCC2C[NH2+]C2)c1 ZINC000638150423 357426584 /nfs/dbraw/zinc/42/65/84/357426584.db2.gz NPRGJKNPOXBVIR-CYBMUJFWSA-N 2 0 263.341 -0.099 20 0 CBADRP COCC[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000638151218 357426644 /nfs/dbraw/zinc/42/66/44/357426644.db2.gz BDZRICIFJQCLCU-UHFFFAOYSA-N 2 0 287.404 -0.303 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638152965 357427638 /nfs/dbraw/zinc/42/76/38/357427638.db2.gz IDDFXASMNPQNRV-CMPLNLGQSA-N 2 0 259.350 -0.894 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638152974 357427651 /nfs/dbraw/zinc/42/76/51/357427651.db2.gz IDDFXASMNPQNRV-ZYHUDNBSSA-N 2 0 259.350 -0.894 20 0 CBADRP CC1(CNC(=O)[C@@]2(C)C[NH2+]CCO2)CC[NH2+]CC1 ZINC000638162130 357428487 /nfs/dbraw/zinc/42/84/87/357428487.db2.gz MMPXPIHJZHYVDJ-CYBMUJFWSA-N 2 0 255.362 -0.129 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000638168480 357430652 /nfs/dbraw/zinc/43/06/52/357430652.db2.gz ANYZRPPEPJYUEL-FPMFFAJLSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C[NH2+]CCO1 ZINC000638172238 357431507 /nfs/dbraw/zinc/43/15/07/357431507.db2.gz UPJVGINPJFWIKT-STQMWFEESA-N 2 0 253.346 -0.423 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000638176300 357432073 /nfs/dbraw/zinc/43/20/73/357432073.db2.gz VILCYRHYCQSYDR-AAEUAGOBSA-N 2 0 253.346 -0.211 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000638178723 357432486 /nfs/dbraw/zinc/43/24/86/357432486.db2.gz PCUZFOKHWOHMFD-KQXIARHKSA-N 2 0 255.362 -0.132 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000638202465 357433806 /nfs/dbraw/zinc/43/38/06/357433806.db2.gz QJKGEJBUAAIIFL-BLFANLJRSA-N 2 0 255.362 -0.132 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000638198032 357434138 /nfs/dbraw/zinc/43/41/38/357434138.db2.gz RXFHGPMVRKXOMZ-TXEJJXNPSA-N 2 0 252.362 -0.756 20 0 CBADRP CC[C@H]1CN(C(=O)CN2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000638202715 357434520 /nfs/dbraw/zinc/43/45/20/357434520.db2.gz JECGMLSZIKGRMU-RYUDHWBXSA-N 2 0 254.378 -0.523 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000638198939 357434648 /nfs/dbraw/zinc/43/46/48/357434648.db2.gz ACHNKEAYUIHRTD-NEPJUHHUSA-N 2 0 252.362 -0.898 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638210811 357434877 /nfs/dbraw/zinc/43/48/77/357434877.db2.gz KCLBCVCYNAHHMT-YPMHNXCESA-N 2 0 264.373 -0.091 20 0 CBADRP C[C@H]([NH3+])CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638210810 357435099 /nfs/dbraw/zinc/43/50/99/357435099.db2.gz KCLBCVCYNAHHMT-WCQYABFASA-N 2 0 264.373 -0.091 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)CC1 ZINC000638226359 357437239 /nfs/dbraw/zinc/43/72/39/357437239.db2.gz HSFWKNLGHPAPGU-NWDGAFQWSA-N 2 0 267.373 -0.083 20 0 CBADRP COCC1(CNC(=O)[C@@]2(C)C[NH2+]CCO2)CC[NH2+]CC1 ZINC000638225514 357437310 /nfs/dbraw/zinc/43/73/10/357437310.db2.gz ZADCGWPBVNUUAL-CYBMUJFWSA-N 2 0 285.388 -0.503 20 0 CBADRP COC[C@]1(CNC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CCC[NH2+]1 ZINC000638228587 357437903 /nfs/dbraw/zinc/43/79/03/357437903.db2.gz GRRJFSUEXRDWJC-FPMFFAJLSA-N 2 0 285.388 -0.362 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000638228026 357438425 /nfs/dbraw/zinc/43/84/25/357438425.db2.gz WAEPXRRCTGAMDL-ZDUSSCGKSA-N 2 0 280.416 -0.166 20 0 CBADRP [NH3+][C@@H]1CC=C(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000638231063 357440158 /nfs/dbraw/zinc/44/01/58/357440158.db2.gz ZEDASHFIROODPC-OLZOCXBDSA-N 2 0 264.373 -0.460 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC000637867921 357380196 /nfs/dbraw/zinc/38/01/96/357380196.db2.gz VOEWNXMNFZREOY-GHMZBOCLSA-N 2 0 255.362 -0.097 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCO1 ZINC000637867155 357380299 /nfs/dbraw/zinc/38/02/99/357380299.db2.gz RXPCDJSAIVJYOF-QNWHQSFQSA-N 2 0 283.372 -0.576 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CCO1 ZINC000637868356 357380420 /nfs/dbraw/zinc/38/04/20/357380420.db2.gz XLBSAGWYDVQATQ-QWHCGFSZSA-N 2 0 299.415 -0.081 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000638575458 357496118 /nfs/dbraw/zinc/49/61/18/357496118.db2.gz FQZQIKNNRYYCKG-DGCLKSJQSA-N 2 0 255.362 -0.272 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638575586 357496245 /nfs/dbraw/zinc/49/62/45/357496245.db2.gz PWIOYFHCPDCOQO-ZYHUDNBSSA-N 2 0 259.350 -0.894 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638575583 357496342 /nfs/dbraw/zinc/49/63/42/357496342.db2.gz PWIOYFHCPDCOQO-JQWIXIFHSA-N 2 0 259.350 -0.894 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000638575459 357496709 /nfs/dbraw/zinc/49/67/09/357496709.db2.gz FQZQIKNNRYYCKG-WCQYABFASA-N 2 0 255.362 -0.272 20 0 CBADRP C[NH2+]CCOCCNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000638577760 357497334 /nfs/dbraw/zinc/49/73/34/357497334.db2.gz VIOPNXVMMLJDTC-ZDUSSCGKSA-N 2 0 295.387 -0.227 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000638586511 357499079 /nfs/dbraw/zinc/49/90/79/357499079.db2.gz RSSYYRKFPPJRQG-LBPRGKRZSA-N 2 0 273.377 -0.551 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000638594132 357499637 /nfs/dbraw/zinc/49/96/37/357499637.db2.gz JMMFAHBLCDDOBG-NSHDSACASA-N 2 0 295.387 -0.205 20 0 CBADRP O=C(Cc1cccc2c1CC[NH2+]C2)NC[C@H]1COCC[NH2+]1 ZINC000638612863 357505508 /nfs/dbraw/zinc/50/55/08/357505508.db2.gz SKRDDOMIVJPGAF-AWEZNQCLSA-N 2 0 289.379 -0.021 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000638614853 357506490 /nfs/dbraw/zinc/50/64/90/357506490.db2.gz YTMSQAJYAKKCHF-GRYCIOLGSA-N 2 0 253.346 -0.378 20 0 CBADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638615860 357507489 /nfs/dbraw/zinc/50/74/89/357507489.db2.gz IWVVVQYUTJZLKX-WZRBSPASSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@@]1(C[NH3+])CCCOC1)C(F)F ZINC000638257663 357444950 /nfs/dbraw/zinc/44/49/50/357444950.db2.gz CMUNACUYOAFNGO-GZMMTYOYSA-N 2 0 265.304 -0.159 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000638262801 357445305 /nfs/dbraw/zinc/44/53/05/357445305.db2.gz NTSGAVKHVCLAKV-ZIAGYGMSSA-N 2 0 280.416 -0.260 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000638263415 357445765 /nfs/dbraw/zinc/44/57/65/357445765.db2.gz BFEIHTYJFYMNPY-GMXVVIOVSA-N 2 0 271.361 -0.752 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000638264890 357445968 /nfs/dbraw/zinc/44/59/68/357445968.db2.gz YSGMYOSIUWLZLT-LPWJVIDDSA-N 2 0 267.373 -0.049 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000638266273 357446044 /nfs/dbraw/zinc/44/60/44/357446044.db2.gz PNJOXDFVKLHREG-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638269267 357447003 /nfs/dbraw/zinc/44/70/03/357447003.db2.gz NMRIDXQBWDPXRI-NQBHXWOUSA-N 2 0 255.362 -0.015 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000638617416 357508893 /nfs/dbraw/zinc/50/88/93/357508893.db2.gz ZDIQMJZAXNZRDG-UWVGGRQHSA-N 2 0 279.344 -0.795 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638277514 357449256 /nfs/dbraw/zinc/44/92/56/357449256.db2.gz BKVHQKNMMOMJPF-OAHLLOKOSA-N 2 0 298.431 -0.539 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[NH+]2CCC1CC2 ZINC000638279801 357450442 /nfs/dbraw/zinc/45/04/42/357450442.db2.gz SBZUPTFWBOUUIF-UHFFFAOYSA-N 2 0 252.362 -0.802 20 0 CBADRP COC[C@@]1(C(=O)NCCOCC[NH+](C)C)CCCC[NH2+]1 ZINC000638290541 357451714 /nfs/dbraw/zinc/45/17/14/357451714.db2.gz IHDVFTOKXTXBRY-CQSZACIVSA-N 2 0 287.404 -0.161 20 0 CBADRP O=C(CCC1CC[NH2+]CC1)NC[C@@H]1COCC[NH2+]1 ZINC000638617449 357509067 /nfs/dbraw/zinc/50/90/67/357509067.db2.gz ZRNDZYJPCHWNDG-GFCCVEGCSA-N 2 0 255.362 -0.129 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CC[NH2+]CC2)C1 ZINC000638287095 357452206 /nfs/dbraw/zinc/45/22/06/357452206.db2.gz UAVJRYWGIUMBRG-KBPBESRZSA-N 2 0 280.416 -0.166 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NCC1CC[NH+](C2CC2)CC1 ZINC000638325117 357457785 /nfs/dbraw/zinc/45/77/85/357457785.db2.gz ZODILBWNVHGMDE-UHFFFAOYSA-N 2 0 280.416 -0.118 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000638333851 357458676 /nfs/dbraw/zinc/45/86/76/357458676.db2.gz VRPNPHZUUMWECQ-CHWSQXEVSA-N 2 0 287.404 -0.223 20 0 CBADRP COC[C@@]1(C(=O)N2CCCO[C@@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000638341868 357460486 /nfs/dbraw/zinc/46/04/86/357460486.db2.gz CPEIWFBWOCURBN-GXTWGEPZSA-N 2 0 285.388 -0.279 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000638343937 357460680 /nfs/dbraw/zinc/46/06/80/357460680.db2.gz PZSNTONNZGADTM-NWDGAFQWSA-N 2 0 255.362 -0.096 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@]2(C[NH3+])CCCOC2)CCCO1 ZINC000638342592 357460903 /nfs/dbraw/zinc/46/09/03/357460903.db2.gz HWEDYMIQPIWETM-DGCLKSJQSA-N 2 0 271.361 -0.682 20 0 CBADRP C[C@@H]1C[C@@H](C)N(C(=O)CN2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000638356757 357462466 /nfs/dbraw/zinc/46/24/66/357462466.db2.gz GLROTWNVVIVWJM-UPJWGTAASA-N 2 0 268.405 -0.277 20 0 CBADRP C[C@@H]1CC2(CN1C(=O)CN1CC[NH2+]CC1)CC[NH2+]CC2 ZINC000638366449 357462477 /nfs/dbraw/zinc/46/24/77/357462477.db2.gz OQDWELXEAXOSNR-CYBMUJFWSA-N 2 0 280.416 -0.118 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000638374840 357463671 /nfs/dbraw/zinc/46/36/71/357463671.db2.gz BLWBEJXJBQQFMS-LBPRGKRZSA-N 2 0 266.389 -0.318 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000638374839 357463889 /nfs/dbraw/zinc/46/38/89/357463889.db2.gz BLWBEJXJBQQFMS-GFCCVEGCSA-N 2 0 266.389 -0.318 20 0 CBADRP CCO[C@@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000638389549 357465683 /nfs/dbraw/zinc/46/56/83/357465683.db2.gz GSAPFZHMWIWXPB-IJLUTSLNSA-N 2 0 253.346 -0.144 20 0 CBADRP O=C1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CCCN1 ZINC000638410773 357470643 /nfs/dbraw/zinc/47/06/43/357470643.db2.gz BUECORJBAFLHOH-NEPJUHHUSA-N 2 0 255.362 -0.299 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)NCCN(C)CCC[NH+](C)C ZINC000638408373 357470738 /nfs/dbraw/zinc/47/07/38/357470738.db2.gz GTDFZGRNUSZMAG-LBPRGKRZSA-N 2 0 258.410 -0.016 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000638424727 357473857 /nfs/dbraw/zinc/47/38/57/357473857.db2.gz IXURGVYGSWMGCR-RYUDHWBXSA-N 2 0 254.378 -0.510 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638425556 357474601 /nfs/dbraw/zinc/47/46/01/357474601.db2.gz NFWUJOHHOHOQEJ-WCQYABFASA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+][C@H]1CC=C(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000638427586 357475861 /nfs/dbraw/zinc/47/58/61/357475861.db2.gz VFWQMAIGGJDWOD-QWHCGFSZSA-N 2 0 264.373 -0.460 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000638438792 357476185 /nfs/dbraw/zinc/47/61/85/357476185.db2.gz CQKBQIXNDLHBGM-AWEZNQCLSA-N 2 0 287.404 -0.161 20 0 CBADRP C[C@]1(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH2+]C1 ZINC000638439852 357477454 /nfs/dbraw/zinc/47/74/54/357477454.db2.gz LHOTXPHUTJLECZ-GVXVVHGQSA-N 2 0 253.346 -0.282 20 0 CBADRP C[C@]1(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH2+]C1 ZINC000638439854 357477534 /nfs/dbraw/zinc/47/75/34/357477534.db2.gz LHOTXPHUTJLECZ-MDZLAQPJSA-N 2 0 253.346 -0.282 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCOC3(C[NH2+]C3)C2)CC1 ZINC000638440315 357477541 /nfs/dbraw/zinc/47/75/41/357477541.db2.gz PJGNDMNEYHEHFT-UHFFFAOYSA-N 2 0 253.346 -0.471 20 0 CBADRP C[C@]1(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH2+]C1 ZINC000638439853 357477734 /nfs/dbraw/zinc/47/77/34/357477734.db2.gz LHOTXPHUTJLECZ-LOWVWBTDSA-N 2 0 253.346 -0.282 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000638484129 357483107 /nfs/dbraw/zinc/48/31/07/357483107.db2.gz OLSIWTPYJYPMDA-NWDGAFQWSA-N 2 0 255.362 -0.179 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000638487803 357484115 /nfs/dbraw/zinc/48/41/15/357484115.db2.gz CKTKCPQUSLKFSS-RYUDHWBXSA-N 2 0 255.362 -0.179 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@@H](C)N1CCNCC1=O ZINC000638491178 357484315 /nfs/dbraw/zinc/48/43/15/357484315.db2.gz FXGJLTGWKNGGCA-VXGBXAGGSA-N 2 0 282.388 -0.737 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000638496541 357486182 /nfs/dbraw/zinc/48/61/82/357486182.db2.gz UFOOYOYCXPYKGK-OLZOCXBDSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000638495334 357486229 /nfs/dbraw/zinc/48/62/29/357486229.db2.gz ARBQNJXUFJQDDZ-UTUOFQBUSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000638495388 357486338 /nfs/dbraw/zinc/48/63/38/357486338.db2.gz CBGFGJIRJUXNMT-XQQFMLRXSA-N 2 0 296.415 -0.170 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638513564 357492169 /nfs/dbraw/zinc/49/21/69/357492169.db2.gz NEVBUUOMHPDQAL-NSHDSACASA-N 2 0 252.362 -0.708 20 0 CBADRP CCN(CC[NH3+])C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000638518784 357492930 /nfs/dbraw/zinc/49/29/30/357492930.db2.gz QBAFWHZRVFVQPU-LLVKDONJSA-N 2 0 270.377 -0.796 20 0 CBADRP CCN1CCO[C@H](C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000638542087 357494122 /nfs/dbraw/zinc/49/41/22/357494122.db2.gz YOYAYZYQADIZIL-NSHDSACASA-N 2 0 271.361 -0.669 20 0 CBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH3+])CCOCC1 ZINC000638541767 357494155 /nfs/dbraw/zinc/49/41/55/357494155.db2.gz WYEDXASBASFFKU-GHMZBOCLSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC000638560559 357494202 /nfs/dbraw/zinc/49/42/02/357494202.db2.gz WUMKQOGHVNULAQ-YUMQZZPRSA-N 2 0 281.278 -0.694 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[C@@H]1C(F)(F)F ZINC000638546159 357494225 /nfs/dbraw/zinc/49/42/25/357494225.db2.gz BOZOHZZVFIBBPB-KXUCPTDWSA-N 2 0 295.305 -0.040 20 0 CBADRP C[C@H](C[NH2+]Cc1cnc(N)nc1N)CN1CC[NH+](C)CC1 ZINC000638551939 357494475 /nfs/dbraw/zinc/49/44/75/357494475.db2.gz MPURGYYQXSKEQW-LLVKDONJSA-N 2 0 293.419 -0.725 20 0 CBADRP COC[C@@]1(C(=O)NCC2([NH3+])CCOCC2)CCCC[NH2+]1 ZINC000638540921 357494723 /nfs/dbraw/zinc/49/47/23/357494723.db2.gz COXZALPRNASKOG-CQSZACIVSA-N 2 0 285.388 -0.231 20 0 CBADRP C[C@H]1CN(C)C[C@@H](C(=O)NCC2([NH3+])CCOCC2)O1 ZINC000638541533 357494848 /nfs/dbraw/zinc/49/48/48/357494848.db2.gz IRZMAJQBYSMARN-QWRGUYRKSA-N 2 0 271.361 -0.670 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000638624932 357513020 /nfs/dbraw/zinc/51/30/20/357513020.db2.gz ZPAKEBCIXPKBFE-KBPBESRZSA-N 2 0 275.352 -0.195 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000638633084 357513657 /nfs/dbraw/zinc/51/36/57/357513657.db2.gz WAIDBKGTGAYASP-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C[NH2+]1 ZINC000638643931 357514706 /nfs/dbraw/zinc/51/47/06/357514706.db2.gz NJYPWQVHINVHIL-WOPDTQHZSA-N 2 0 292.387 -0.100 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[NH2+]1 ZINC000638641636 357514720 /nfs/dbraw/zinc/51/47/20/357514720.db2.gz GDZCDAWONYHGNM-AGIUHOORSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[NH2+]1 ZINC000638641638 357514788 /nfs/dbraw/zinc/51/47/88/357514788.db2.gz GDZCDAWONYHGNM-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)c2cn(CCCC[NH3+])nn2)C[NH2+]1 ZINC000638653883 357516400 /nfs/dbraw/zinc/51/64/00/357516400.db2.gz ZYHZZCDFOZBYPI-MNOVXSKESA-N 2 0 280.376 -0.113 20 0 CBADRP COC[C@@]1(C(=O)NCCOCCC[NH3+])CC[NH2+]C1 ZINC000638661865 357516986 /nfs/dbraw/zinc/51/69/86/357516986.db2.gz HFVLXKXUOMIVKE-GFCCVEGCSA-N 2 0 259.350 -0.906 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NCCOCCC[NH3+])CC1 ZINC000638661071 357517223 /nfs/dbraw/zinc/51/72/23/357517223.db2.gz KINJRPLEKBZKMI-UHFFFAOYSA-N 2 0 286.420 -0.504 20 0 CBADRP [NH3+]CCCOCCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000638661610 357517240 /nfs/dbraw/zinc/51/72/40/357517240.db2.gz BJLWJHJHNKRHTQ-NEPJUHHUSA-N 2 0 255.362 -0.001 20 0 CBADRP COC[C@]1(C(=O)NCCOCCC[NH3+])CCCC[NH2+]1 ZINC000638664527 357517994 /nfs/dbraw/zinc/51/79/94/357517994.db2.gz OSKCUCHIWPXTIY-ZDUSSCGKSA-N 2 0 273.377 -0.373 20 0 CBADRP [NH3+]CCCOCCNC(=O)COC1CCC([NH3+])CC1 ZINC000638663065 357518005 /nfs/dbraw/zinc/51/80/05/357518005.db2.gz IJCUMESZKZLCGI-UHFFFAOYSA-N 2 0 273.377 -0.246 20 0 CBADRP [NH3+]CCCOCCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638663280 357518343 /nfs/dbraw/zinc/51/83/43/357518343.db2.gz FOLDEVWWXUKNKG-LBPRGKRZSA-N 2 0 259.350 -0.777 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000638674537 357518838 /nfs/dbraw/zinc/51/88/38/357518838.db2.gz MGOJIDIOKIGVKJ-LALPHHSUSA-N 2 0 299.415 -0.047 20 0 CBADRP CN(CCOCC[NH3+])C(=O)C1([NH3+])Cc2ccccc2C1 ZINC000638680645 357521070 /nfs/dbraw/zinc/52/10/70/357521070.db2.gz WIKFJZZMRNRURB-UHFFFAOYSA-N 2 0 277.368 -0.084 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638776974 357528404 /nfs/dbraw/zinc/52/84/04/357528404.db2.gz AHCPRLWGSZVJLG-KGLIPLIRSA-N 2 0 297.399 -0.408 20 0 CBADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)N[C@@H]2CC[NH2+]C2)C1(C)C ZINC000638801804 357531867 /nfs/dbraw/zinc/53/18/67/357531867.db2.gz LPCZAFWPOFAKNT-GBIKHYSHSA-N 2 0 255.362 -0.003 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000638802327 357532528 /nfs/dbraw/zinc/53/25/28/357532528.db2.gz TUZYRNGAJNIIKY-ZHSDAYTOSA-N 2 0 267.373 -0.003 20 0 CBADRP [NH3+][C@@H]1CCCCCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000638829578 357535070 /nfs/dbraw/zinc/53/50/70/357535070.db2.gz LLBZRHJKMSDTPA-GFCCVEGCSA-N 2 0 254.378 -0.379 20 0 CBADRP CC[NH2+][C@H](C)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000638856655 357538535 /nfs/dbraw/zinc/53/85/35/357538535.db2.gz QJZZEEOPHGBTOZ-DGCLKSJQSA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000638855711 357538630 /nfs/dbraw/zinc/53/86/30/357538630.db2.gz HZQJSKDVJJPFIC-STQMWFEESA-N 2 0 296.415 -0.219 20 0 CBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3CCC[NH2+]3)CC2)C1=O ZINC000638857140 357538642 /nfs/dbraw/zinc/53/86/42/357538642.db2.gz ZIMBAPZKBPTRSM-STQMWFEESA-N 2 0 294.399 -0.450 20 0 CBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)C3([NH3+])CCC3)CC2)C1=O ZINC000638855991 357538667 /nfs/dbraw/zinc/53/86/67/357538667.db2.gz KDMXNFPTHFWYQI-GFCCVEGCSA-N 2 0 294.399 -0.321 20 0 CBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)C3([NH3+])CCC3)CC2)C1=O ZINC000638855992 357538896 /nfs/dbraw/zinc/53/88/96/357538896.db2.gz KDMXNFPTHFWYQI-LBPRGKRZSA-N 2 0 294.399 -0.321 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000638855710 357539027 /nfs/dbraw/zinc/53/90/27/357539027.db2.gz HZQJSKDVJJPFIC-QWHCGFSZSA-N 2 0 296.415 -0.219 20 0 CBADRP CC1([NH+]2CCCC2)CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000638860873 357539095 /nfs/dbraw/zinc/53/90/95/357539095.db2.gz IXPWJAJGPPRABI-UHFFFAOYSA-N 2 0 267.373 -0.202 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000638914126 357542794 /nfs/dbraw/zinc/54/27/94/357542794.db2.gz MJMDRDIFAHLNCE-STQMWFEESA-N 2 0 266.389 -0.413 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000638925807 357543949 /nfs/dbraw/zinc/54/39/49/357543949.db2.gz ASWPBFVUSHSNLN-SRRSOLGSSA-N 2 0 253.346 -0.284 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638919985 357543981 /nfs/dbraw/zinc/54/39/81/357543981.db2.gz XBOILNNPSWQJCI-TUAOUCFPSA-N 2 0 253.346 -0.282 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000638936034 357546084 /nfs/dbraw/zinc/54/60/84/357546084.db2.gz PGVMFTVZSCOMEK-VXGBXAGGSA-N 2 0 254.378 -0.428 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638934777 357546264 /nfs/dbraw/zinc/54/62/64/357546264.db2.gz KFUSFUDPHAUBLN-MXWKQRLJSA-N 2 0 268.361 -0.807 20 0 CBADRP [NH3+]CC1(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCCCC1 ZINC000638996256 357549748 /nfs/dbraw/zinc/54/97/48/357549748.db2.gz DXPZQEGZBPYBHM-LLVKDONJSA-N 2 0 282.388 -0.368 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000639018398 357553230 /nfs/dbraw/zinc/55/32/30/357553230.db2.gz HWTMACGUEIJDOT-OCCSQVGLSA-N 2 0 298.431 -0.116 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639022846 357553863 /nfs/dbraw/zinc/55/38/63/357553863.db2.gz RBUKIRYYYQEGSS-CHWSQXEVSA-N 2 0 266.389 -0.508 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639023463 357554309 /nfs/dbraw/zinc/55/43/09/357554309.db2.gz LMKXSDKTAVSMPN-FRRDWIJNSA-N 2 0 294.399 -0.545 20 0 CBADRP COC[C@@]1(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]C1 ZINC000639032120 357554812 /nfs/dbraw/zinc/55/48/12/357554812.db2.gz MIAMNFBJGLMVSU-NQBHXWOUSA-N 2 0 255.362 -0.001 20 0 CBADRP C[N@@H+]1CC[C@]2(CCN(Cc3cnc(N)nc3N)C2)C1 ZINC000639204348 357561852 /nfs/dbraw/zinc/56/18/52/357561852.db2.gz RXIZHWSFXZFKMG-ZDUSSCGKSA-N 2 0 262.361 -0.171 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1C[C@H](OC)C[C@]1(C)CO ZINC000639999913 357626185 /nfs/dbraw/zinc/62/61/85/357626185.db2.gz BBACDSPFTKYJIR-YNEHKIRRSA-N 2 0 260.378 -0.229 20 0 CBADRP CNC(=O)CCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762118 357595880 /nfs/dbraw/zinc/59/58/80/357595880.db2.gz GMDYCRFVTIGJOW-ZDUSSCGKSA-N 2 0 257.378 -0.099 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639769330 357596956 /nfs/dbraw/zinc/59/69/56/357596956.db2.gz XVWDDEFJZLPCGR-KGLIPLIRSA-N 2 0 273.421 -0.313 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639769327 357597017 /nfs/dbraw/zinc/59/70/17/357597017.db2.gz XVWDDEFJZLPCGR-KBPBESRZSA-N 2 0 273.421 -0.313 20 0 CBADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639841664 357602834 /nfs/dbraw/zinc/60/28/34/357602834.db2.gz XLWXCELRGYFZDL-SDDRHHMPSA-N 2 0 282.388 -0.621 20 0 CBADRP CC1(C)CN(C(=O)NC[C@H]([NH3+])C2CC2)CC[N@@H+]1CCO ZINC000640304493 357643265 /nfs/dbraw/zinc/64/32/65/357643265.db2.gz PNAHOKACRLAKQS-LBPRGKRZSA-N 2 0 284.404 -0.178 20 0 CBADRP C[C@H](C[NH3+])NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000640614380 357660056 /nfs/dbraw/zinc/66/00/56/357660056.db2.gz HPVDVCSVTZIWPI-SNVBAGLBSA-N 2 0 258.366 -0.568 20 0 CBADRP CC[N@H+](C)C[C@@H](O)Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000641220922 357681851 /nfs/dbraw/zinc/68/18/51/357681851.db2.gz DEZKHHWWOSTEKX-CQSZACIVSA-N 2 0 296.419 -0.962 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641224895 357682461 /nfs/dbraw/zinc/68/24/61/357682461.db2.gz YVBRZOVLABKRKX-GXTWGEPZSA-N 2 0 297.403 -0.631 20 0 CBADRP CN1CCN(C(=O)CC[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000641800846 357742595 /nfs/dbraw/zinc/74/25/95/357742595.db2.gz HEINCJWLTGMRBS-NWDGAFQWSA-N 2 0 268.405 -0.134 20 0 CBADRP NS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000641798642 357742761 /nfs/dbraw/zinc/74/27/61/357742761.db2.gz PAMNNRPTOWNENK-HBNTYKKESA-N 2 0 261.391 -0.276 20 0 CBADRP COCCCS(=O)(=O)NCC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802073 357743609 /nfs/dbraw/zinc/74/36/09/357743609.db2.gz HNCLJHQLPVTSKM-GHMZBOCLSA-N 2 0 293.433 -0.342 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C)C(C)(C)C1 ZINC000641824481 357746627 /nfs/dbraw/zinc/74/66/27/357746627.db2.gz JWAMTFZCPQFNIA-LBPRGKRZSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000641937782 357749193 /nfs/dbraw/zinc/74/91/93/357749193.db2.gz KPIPIKICRUEUBA-GHMZBOCLSA-N 2 0 272.393 -0.180 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000642439381 357754058 /nfs/dbraw/zinc/75/40/58/357754058.db2.gz DJIZJGFLFCOHAK-CHWSQXEVSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000642440015 357755248 /nfs/dbraw/zinc/75/52/48/357755248.db2.gz VSROLPMGRJAMHV-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000642535618 357756453 /nfs/dbraw/zinc/75/64/53/357756453.db2.gz RFGQSBAXFLMRPT-NWDGAFQWSA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH2+]C2CC2)C[N@@H+]1C1CC1 ZINC000642718123 357758924 /nfs/dbraw/zinc/75/89/24/357758924.db2.gz IUGOQUNCRGIRAZ-ZYHUDNBSSA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642732136 357760346 /nfs/dbraw/zinc/76/03/46/357760346.db2.gz DYACQPPGSGSDOZ-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H](NC(=O)C(=O)NC1C[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000642762324 357761183 /nfs/dbraw/zinc/76/11/83/357761183.db2.gz IGJYQNCNXQAWCD-VIFPVBQESA-N 2 0 270.377 -0.833 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642755909 357761365 /nfs/dbraw/zinc/76/13/65/357761365.db2.gz ZHHNZGSIPYTWFM-NXEZZACHSA-N 2 0 258.366 -0.704 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCC1 ZINC000642785743 357762626 /nfs/dbraw/zinc/76/26/26/357762626.db2.gz GRVXFWOTUSFVJM-LBPRGKRZSA-N 2 0 294.399 -0.416 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642810415 357763937 /nfs/dbraw/zinc/76/39/37/357763937.db2.gz AKRPRTSDQSBOMF-VHSXEESVSA-N 2 0 258.366 -0.704 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCC1 ZINC000642887380 357764429 /nfs/dbraw/zinc/76/44/29/357764429.db2.gz PHAFHSAZWCHIBY-RYUDHWBXSA-N 2 0 294.399 -0.273 20 0 CBADRP O=C(NCC[NH2+]C1CC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000642887429 357764796 /nfs/dbraw/zinc/76/47/96/357764796.db2.gz XDBCMGFMPAJWAA-STQMWFEESA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000642879087 357764951 /nfs/dbraw/zinc/76/49/51/357764951.db2.gz IFSGKUWUQJAGIN-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000642904542 357766627 /nfs/dbraw/zinc/76/66/27/357766627.db2.gz YNMFRVGYPIOQOP-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000642909367 357767288 /nfs/dbraw/zinc/76/72/88/357767288.db2.gz LMZPSTXATZKJSE-GRYCIOLGSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642909240 357767327 /nfs/dbraw/zinc/76/73/27/357767327.db2.gz IZCJKJDOPXQKNW-SNVBAGLBSA-N 2 0 258.366 -0.702 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000642909755 357767598 /nfs/dbraw/zinc/76/75/98/357767598.db2.gz STIAIBHUFBBNIS-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000642909550 357767705 /nfs/dbraw/zinc/76/77/05/357767705.db2.gz PABJKDWAGRQQRB-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000642916971 357769424 /nfs/dbraw/zinc/76/94/24/357769424.db2.gz SPYDZSQMOXWMOX-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC[NH2+]C3CC3)[C@H]2C1 ZINC000642919381 357770364 /nfs/dbraw/zinc/77/03/64/357770364.db2.gz YQVHLXGCAPKKDN-AAEUAGOBSA-N 2 0 294.399 -0.593 20 0 CBADRP O=C(NC1C[NH2+]C1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000642925943 357771509 /nfs/dbraw/zinc/77/15/09/357771509.db2.gz ZZYJJKQWOITEDJ-GFCCVEGCSA-N 2 0 280.372 -0.839 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000642940927 357772776 /nfs/dbraw/zinc/77/27/76/357772776.db2.gz IMKZRCARHDXNFI-NEPJUHHUSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000642966920 357773255 /nfs/dbraw/zinc/77/32/55/357773255.db2.gz NBPSPRQUCOMOIY-NEPJUHHUSA-N 2 0 296.415 -0.075 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000642961143 357773313 /nfs/dbraw/zinc/77/33/13/357773313.db2.gz QBTRAEBUKGVTOR-OLZOCXBDSA-N 2 0 296.415 -0.171 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000642974868 357773668 /nfs/dbraw/zinc/77/36/68/357773668.db2.gz FYUIKDDSIOAIKM-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000642979362 357774019 /nfs/dbraw/zinc/77/40/19/357774019.db2.gz YPQYYOXGNBOENJ-NSHDSACASA-N 2 0 280.372 -0.709 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000642988387 357774637 /nfs/dbraw/zinc/77/46/37/357774637.db2.gz HAESEGFULHHZAN-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000643591073 357791217 /nfs/dbraw/zinc/79/12/17/357791217.db2.gz DBLZOGDOPOFBOP-QWHCGFSZSA-N 2 0 296.415 -0.075 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000643591071 357791808 /nfs/dbraw/zinc/79/18/08/357791808.db2.gz DBLZOGDOPOFBOP-CHWSQXEVSA-N 2 0 296.415 -0.075 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000643553677 357788476 /nfs/dbraw/zinc/78/84/76/357788476.db2.gz LSFZIZLPFMBLND-OLZOCXBDSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000643553657 357788931 /nfs/dbraw/zinc/78/89/31/357788931.db2.gz LEJVPVHOQZMRCS-QWHCGFSZSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)[C@@H](C)C[NH2+]1 ZINC000643585533 357790165 /nfs/dbraw/zinc/79/01/65/357790165.db2.gz CMVXRSQPQDRKOR-MROQNXINSA-N 2 0 294.399 -0.642 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)[C@@H](C)C[NH2+]1 ZINC000643585536 357790359 /nfs/dbraw/zinc/79/03/59/357790359.db2.gz CMVXRSQPQDRKOR-ZDEQEGDKSA-N 2 0 294.399 -0.642 20 0 CBADRP C[C@@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)[NH+](C)C ZINC000459035161 295953372 /nfs/dbraw/zinc/95/33/72/295953372.db2.gz DKQJWWORMRVHOG-NWDGAFQWSA-N 2 0 272.393 -0.092 20 0 CBADRP C[C@H]1C[C@H](NC(=O)NCCN2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000333422286 291139481 /nfs/dbraw/zinc/13/94/81/291139481.db2.gz SRIHMWXKBNWBAB-STQMWFEESA-N 2 0 295.431 -0.184 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(CCOCC3CC3)CCN2C1=O ZINC000576528370 335215458 /nfs/dbraw/zinc/21/54/58/335215458.db2.gz GRVVDCXPWZWEHE-VXGBXAGGSA-N 2 0 253.346 -0.343 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000419417653 283385214 /nfs/dbraw/zinc/38/52/14/283385214.db2.gz XKLZZEUDVYZINN-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000342005974 216186860 /nfs/dbraw/zinc/18/68/60/216186860.db2.gz XCODGCFXKZCFLI-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000418699294 296021971 /nfs/dbraw/zinc/02/19/71/296021971.db2.gz DSLSYDPWJXXSND-WRWGMCAJSA-N 2 0 272.393 -0.181 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC([NH+](C)C)C2)CC1=O ZINC000342130312 216229728 /nfs/dbraw/zinc/22/97/28/216229728.db2.gz NWEPLGIORDZKEG-NSHDSACASA-N 2 0 282.388 -0.831 20 0 CBADRP Cn1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(=O)n(C)c1=O ZINC000179276079 189182725 /nfs/dbraw/zinc/18/27/25/189182725.db2.gz CIUPZJBGBFBNSD-GFCCVEGCSA-N 2 0 294.399 -0.142 20 0 CBADRP O=C([C@@H]1CC[NH2+]C1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372099712 296037659 /nfs/dbraw/zinc/03/76/59/296037659.db2.gz XVPYIYNXXKBFJZ-FRRDWIJNSA-N 2 0 267.373 -0.347 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000237955527 296055121 /nfs/dbraw/zinc/05/51/21/296055121.db2.gz PGIGOCDTNUQYTI-KBPBESRZSA-N 2 0 297.399 -0.454 20 0 CBADRP CCC[C@@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000552157455 283977420 /nfs/dbraw/zinc/97/74/20/283977420.db2.gz PXZFTBUFTBAEMT-SRVKXCTJSA-N 2 0 257.378 -0.150 20 0 CBADRP CC[NH+]1CCN(CC(=O)N(C)[C@H]2CC[NH2+]C2)CC1 ZINC000574208378 334999423 /nfs/dbraw/zinc/99/94/23/334999423.db2.gz MXKRVRQPRZYAJQ-LBPRGKRZSA-N 2 0 254.378 -0.556 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000574200731 335000460 /nfs/dbraw/zinc/00/04/60/335000460.db2.gz PHFWXJLZXXTYAG-AGIUHOORSA-N 2 0 294.399 -0.402 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000364766551 294417971 /nfs/dbraw/zinc/41/79/71/294417971.db2.gz BGXLCMBHWMQKTK-YNEHKIRRSA-N 2 0 285.388 -0.592 20 0 CBADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000343642537 216859790 /nfs/dbraw/zinc/85/97/90/216859790.db2.gz OZNBMFBIISECLJ-GMTAPVOTSA-N 2 0 268.361 -0.807 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000228477346 189792952 /nfs/dbraw/zinc/79/29/52/189792952.db2.gz KGDFGEQGPIRMFC-HBNTYKKESA-N 2 0 266.345 -0.403 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000236587807 189834230 /nfs/dbraw/zinc/83/42/30/189834230.db2.gz PHODEMCPXAPTKI-QWHCGFSZSA-N 2 0 298.431 -0.114 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)CC1=O ZINC000237162413 189866769 /nfs/dbraw/zinc/86/67/69/189866769.db2.gz AGMPSHYLEIJVEF-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2CC[N@H+](C)C2)CC1=O ZINC000344048783 217028290 /nfs/dbraw/zinc/02/82/90/217028290.db2.gz NWGZVYKFYGBKJW-OLZOCXBDSA-N 2 0 296.415 -0.536 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NCCNc2cc[nH+]cc2)nn1 ZINC000574397385 335016001 /nfs/dbraw/zinc/01/60/01/335016001.db2.gz RGQZVGILYZVTQN-UHFFFAOYSA-N 2 0 289.343 -0.714 20 0 CBADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCOCC[NH3+])CC1 ZINC000357079763 296181362 /nfs/dbraw/zinc/18/13/62/296181362.db2.gz LLUYATAWLSGDTP-CYBMUJFWSA-N 3 0 273.421 -0.014 20 0 CBADRP C[C@@]1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCCC[NH2+]1 ZINC000237484104 189878150 /nfs/dbraw/zinc/87/81/50/189878150.db2.gz BHBJOBRYHOLDNK-WFASDCNBSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000344303840 217141193 /nfs/dbraw/zinc/14/11/93/217141193.db2.gz CMOZOPWLCUBHFD-CVEARBPZSA-N 2 0 298.475 -0.084 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070174612 372766368 /nfs/dbraw/zinc/76/63/68/372766368.db2.gz YVUAMQCMEJMXFQ-NXEZZACHSA-N 2 0 256.350 -0.109 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000068807930 372767225 /nfs/dbraw/zinc/76/72/25/372767225.db2.gz VFGUULKTPQHEJV-NEPJUHHUSA-N 2 0 254.378 -0.510 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000353429702 220078791 /nfs/dbraw/zinc/07/87/91/220078791.db2.gz QABNMDYSXLJQHA-LBPRGKRZSA-N 2 0 271.361 -0.717 20 0 CBADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000353443038 220086080 /nfs/dbraw/zinc/08/60/80/220086080.db2.gz BXDNTHXWUOUPBI-MJBXVCDLSA-N 2 0 282.432 -0.018 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000353438606 220083840 /nfs/dbraw/zinc/08/38/40/220083840.db2.gz ZODIPPCAHIZGKH-OLZOCXBDSA-N 2 0 268.405 -0.262 20 0 CBADRP CN1CCN(C(=O)CCNC(=O)C[NH2+]C2CC2)CC1 ZINC000178924708 372841000 /nfs/dbraw/zinc/84/10/00/372841000.db2.gz IRQCFFODMUAQTD-UHFFFAOYSA-N 2 0 268.361 -0.981 20 0 CBADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000188213457 372849469 /nfs/dbraw/zinc/84/94/69/372849469.db2.gz WJLMKNXWCWQJID-QJPTWQEYSA-N 2 0 253.346 -0.330 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261569821 372905744 /nfs/dbraw/zinc/90/57/44/372905744.db2.gz KBJXHSDUPMOAAL-GUBZILKMSA-N 2 0 254.334 -0.486 20 0 CBADRP CNC(=O)NC(=O)[C@@H](C)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261569173 372906827 /nfs/dbraw/zinc/90/68/27/372906827.db2.gz JOHUCBXYROMLHR-SKDRFNHKSA-N 2 0 254.334 -0.484 20 0 CBADRP CC(C)[C@H](CNC(=O)CNC(=O)C[NH3+])[NH+]1CCC(C)CC1 ZINC000262115592 372909306 /nfs/dbraw/zinc/90/93/06/372909306.db2.gz HRPKOLSXSQKNPX-ZDUSSCGKSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@@H](CNC(=O)N1CCOC2(C[NH2+]C2)C1)[N@H+](C)C1CC1 ZINC000333402532 205290242 /nfs/dbraw/zinc/29/02/42/205290242.db2.gz QECIDJLXDMLAHU-NSHDSACASA-N 2 0 282.388 -0.147 20 0 CBADRP C[C@@H]1CN(CC[N@H+](C)CCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000313884374 372969252 /nfs/dbraw/zinc/96/92/52/372969252.db2.gz QBTKVKHFWIAJNC-GASCZTMLSA-N 2 0 284.448 -0.067 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000353538624 220143040 /nfs/dbraw/zinc/14/30/40/220143040.db2.gz XTSHZHQMVJFYTA-AGIUHOORSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000339631555 373036481 /nfs/dbraw/zinc/03/64/81/373036481.db2.gz LLWDSJHPJRHPJW-YPMHNXCESA-N 2 0 296.415 -0.204 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000333941572 373013905 /nfs/dbraw/zinc/01/39/05/373013905.db2.gz PCUMEPARZPKHLO-GFCCVEGCSA-N 2 0 269.393 -0.715 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000342982922 373048220 /nfs/dbraw/zinc/04/82/20/373048220.db2.gz IBOXPNPHCPFSTL-WZRBSPASSA-N 2 0 257.378 -0.387 20 0 CBADRP C[C@H](CC(N)=O)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000341954217 373044160 /nfs/dbraw/zinc/04/41/60/373044160.db2.gz AYGFRJQOAIWPHB-LLVKDONJSA-N 2 0 256.394 -0.134 20 0 CBADRP CNC(=O)NC(=O)CC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000348553833 373079925 /nfs/dbraw/zinc/07/99/25/373079925.db2.gz PLUYCSGAXKYYET-UHFFFAOYSA-N 2 0 299.419 -0.599 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000349001040 373087189 /nfs/dbraw/zinc/08/71/89/373087189.db2.gz OEOSFPCKGZMWGS-CYBMUJFWSA-N 2 0 297.399 -0.454 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000349025589 373087669 /nfs/dbraw/zinc/08/76/69/373087669.db2.gz ICVFLKWFBYZILV-CMPLNLGQSA-N 2 0 255.362 -0.001 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000353462836 373112917 /nfs/dbraw/zinc/11/29/17/373112917.db2.gz UAVLIZMTMIBKND-NWDGAFQWSA-N 2 0 273.377 -0.567 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000355319884 373126410 /nfs/dbraw/zinc/12/64/10/373126410.db2.gz RXYHVBYXKXJJRP-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)NCCOCC[NH+](C)C ZINC000355333681 373130795 /nfs/dbraw/zinc/13/07/95/373130795.db2.gz CIUIYGZKMSIIFU-NSHDSACASA-N 2 0 260.382 -0.186 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CCc3nc[nH]c3C2)C1 ZINC000360505211 373202225 /nfs/dbraw/zinc/20/22/25/373202225.db2.gz SWEWLKNPTVUFRX-QMTHXVAHSA-N 2 0 293.371 -0.367 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCc3nc[nH]c3C2)C1 ZINC000360505210 373202361 /nfs/dbraw/zinc/20/23/61/373202361.db2.gz SWEWLKNPTVUFRX-IINYFYTJSA-N 2 0 293.371 -0.367 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@H]1COC[C@H]1O ZINC000361329379 373277464 /nfs/dbraw/zinc/27/74/64/373277464.db2.gz ZXGYYUXFXMRSSW-QWHCGFSZSA-N 2 0 257.378 -0.685 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000361697152 373327907 /nfs/dbraw/zinc/32/79/07/373327907.db2.gz VDCVVDFBIBALBD-NEPJUHHUSA-N 2 0 268.405 -0.040 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C2([NH3+])CC2)C1 ZINC000353596353 220181741 /nfs/dbraw/zinc/18/17/41/220181741.db2.gz IRXLJVVIPOQSPW-JTQLQIEISA-N 2 0 268.361 -0.819 20 0 CBADRP C[NH+](C)CC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000344978297 217375154 /nfs/dbraw/zinc/37/51/54/217375154.db2.gz DTTSMLROMZBGFT-UHFFFAOYSA-N 2 0 257.378 -0.147 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000363738906 373507302 /nfs/dbraw/zinc/50/73/02/373507302.db2.gz IICOHXHVJMQKJX-WCQYABFASA-N 2 0 255.362 -0.320 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000399045808 373584903 /nfs/dbraw/zinc/58/49/03/373584903.db2.gz SMXCMVILZDTEEA-GFCCVEGCSA-N 2 0 254.378 -0.523 20 0 CBADRP [NH3+]CC1(C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)CC1 ZINC000414716341 373626763 /nfs/dbraw/zinc/62/67/63/373626763.db2.gz SIJGNEDWKYVASQ-LBPRGKRZSA-N 2 0 266.389 -0.379 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417434675 373629089 /nfs/dbraw/zinc/62/90/89/373629089.db2.gz ACCDVZQRMKKUEX-QWRGUYRKSA-N 2 0 258.366 -0.304 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)NCC[C@H](C)[NH3+] ZINC000417097861 373629151 /nfs/dbraw/zinc/62/91/51/373629151.db2.gz XLBYZPHKDJKYSG-NSHDSACASA-N 2 0 260.382 -0.009 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417092460 373629595 /nfs/dbraw/zinc/62/95/95/373629595.db2.gz MBCGXPMDTCITII-GFCCVEGCSA-N 2 0 272.393 -0.009 20 0 CBADRP [NH3+]C[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000418405937 373631284 /nfs/dbraw/zinc/63/12/84/373631284.db2.gz RTNDMBUQXPXNSB-CHWSQXEVSA-N 2 0 284.404 -0.130 20 0 CBADRP COC[C@@]1(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC[NH2+]C1 ZINC000417846449 373631699 /nfs/dbraw/zinc/63/16/99/373631699.db2.gz UBBOMNFJDDOTIQ-NTZNESFSSA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)CC[NH3+])[C@H](C)C1 ZINC000418537392 373633444 /nfs/dbraw/zinc/63/34/44/373633444.db2.gz CUEQCGGXIRNTEE-TUAOUCFPSA-N 2 0 272.393 -0.180 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCC[NH3+] ZINC000419029675 373634755 /nfs/dbraw/zinc/63/47/55/373634755.db2.gz RTXLPUFYMNGGJM-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419024904 373635324 /nfs/dbraw/zinc/63/53/24/373635324.db2.gz LGUSZYKCAFWJGZ-FRRDWIJNSA-N 2 0 296.415 -0.299 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CC1 ZINC000419114923 373635427 /nfs/dbraw/zinc/63/54/27/373635427.db2.gz XNVUNTOKDLSINJ-TXEJJXNPSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCC[NH3+])([NH+](C)C)C1 ZINC000418925704 373636608 /nfs/dbraw/zinc/63/66/08/373636608.db2.gz RKAGBDKPWXICBF-BXUZGUMPSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CCC[N@@H+]1C ZINC000419540862 373637849 /nfs/dbraw/zinc/63/78/49/373637849.db2.gz CSMVMWOBZNKIRM-WOPDTQHZSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CCC[N@@H+]1C ZINC000419541708 373638003 /nfs/dbraw/zinc/63/80/03/373638003.db2.gz DGBOCSHDVORLBW-UTUOFQBUSA-N 2 0 282.388 -0.465 20 0 CBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419783813 373640544 /nfs/dbraw/zinc/64/05/44/373640544.db2.gz VQMLKNJBVDTBEX-NEPJUHHUSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCC[N@@H+]1C ZINC000419566035 373641018 /nfs/dbraw/zinc/64/10/18/373641018.db2.gz ZMPXEBOAGQBGNR-UPJWGTAASA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NCC[NH3+] ZINC000419813589 373641474 /nfs/dbraw/zinc/64/14/74/373641474.db2.gz GXYLLDKYOKQFQU-PHIMTYICSA-N 2 0 270.377 -0.560 20 0 CBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCC[NH3+] ZINC000419785005 373641751 /nfs/dbraw/zinc/64/17/51/373641751.db2.gz XUFKLBMNWOFVCH-NSHDSACASA-N 2 0 284.404 -0.312 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[NH2+]C ZINC000419861904 373641809 /nfs/dbraw/zinc/64/18/09/373641809.db2.gz AOIYOBLYVZXFNZ-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419887255 373644215 /nfs/dbraw/zinc/64/42/15/373644215.db2.gz DEXKYOOSKYZYIP-CHWSQXEVSA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336600 373648998 /nfs/dbraw/zinc/64/89/98/373648998.db2.gz IXVYHFDFMLNHRN-WDEREUQCSA-N 2 0 268.361 -0.237 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000423598267 373658904 /nfs/dbraw/zinc/65/89/04/373658904.db2.gz VYJWHNNOSHLDDI-CHWSQXEVSA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)C[C@@H](C)[NH2+]1 ZINC000423729716 373662050 /nfs/dbraw/zinc/66/20/50/373662050.db2.gz VHDIUFCBMIXJJJ-JHJVBQTASA-N 2 0 296.415 -0.252 20 0 CBADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000424294814 373664602 /nfs/dbraw/zinc/66/46/02/373664602.db2.gz XMLHGDLOCJDZPK-OLZOCXBDSA-N 2 0 267.373 -0.049 20 0 CBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)[C@H]3C[NH2+]CCO3)[C@@H]2C1 ZINC000424179896 373665206 /nfs/dbraw/zinc/66/52/06/373665206.db2.gz ZLDXBPAYSJFYPM-QJPTWQEYSA-N 2 0 253.346 -0.473 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424468397 373665481 /nfs/dbraw/zinc/66/54/81/373665481.db2.gz ODWUIUNDXZLYMS-IJLUTSLNSA-N 2 0 269.393 -0.541 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000424471487 373665525 /nfs/dbraw/zinc/66/55/25/373665525.db2.gz SSEUGMPRAFKSQF-IJLUTSLNSA-N 2 0 270.377 -0.066 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424239964 373666342 /nfs/dbraw/zinc/66/63/42/373666342.db2.gz OUMDSYHTORKWSD-WDEREUQCSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)[NH+](C)C ZINC000433376694 373675509 /nfs/dbraw/zinc/67/55/09/373675509.db2.gz OKMODAQFVDZMLW-WDEREUQCSA-N 2 0 280.376 -0.118 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000449704710 373687400 /nfs/dbraw/zinc/68/74/00/373687400.db2.gz WMWZMKMJRCAPNK-MQYQWHSLSA-N 2 0 280.416 -0.073 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCCN1CC[NH2+]CC1 ZINC000449083327 373687736 /nfs/dbraw/zinc/68/77/36/373687736.db2.gz SWKJCRUJMQZBQK-QWHCGFSZSA-N 2 0 268.405 -0.085 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000516063232 373803175 /nfs/dbraw/zinc/80/31/75/373803175.db2.gz QQPYQUNBUKVBAX-UWVGGRQHSA-N 2 0 257.334 -0.475 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)C1CC[NH2+]CC1 ZINC000516467404 373811775 /nfs/dbraw/zinc/81/17/75/373811775.db2.gz BLKHUWQHGHEZFH-LBPRGKRZSA-N 2 0 270.377 -0.704 20 0 CBADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000516555208 373816864 /nfs/dbraw/zinc/81/68/64/373816864.db2.gz JPJYAOLKUDCEHO-ZDUSSCGKSA-N 2 0 296.415 -0.155 20 0 CBADRP NC(=O)c1cnccc1NC[C@H]1CCC[N@@H+]1CCCO ZINC000519803312 373824818 /nfs/dbraw/zinc/82/48/18/373824818.db2.gz ZBZVWYHEDGLNMG-LLVKDONJSA-N 2 0 278.356 -0.139 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000520219127 373829637 /nfs/dbraw/zinc/82/96/37/373829637.db2.gz VREIQQGXYLICCJ-ZIAGYGMSSA-N 2 0 276.384 -0.424 20 0 CBADRP CC(C)(C[NH3+])C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000515299959 373782168 /nfs/dbraw/zinc/78/21/68/373782168.db2.gz WGNCYMSUGYPDCW-JTQLQIEISA-N 2 0 270.377 -0.715 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000515375686 373784664 /nfs/dbraw/zinc/78/46/64/373784664.db2.gz NLLGEHQWUAAJPO-GFCCVEGCSA-N 2 0 297.403 -0.798 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000520841104 373837474 /nfs/dbraw/zinc/83/74/74/373837474.db2.gz DWBLAENATHWXES-XWLWVQCSSA-N 2 0 283.376 -0.934 20 0 CBADRP COCC[NH2+]CCNC(=O)COC1CCC([NH3+])CC1 ZINC000515382036 373787348 /nfs/dbraw/zinc/78/73/48/373787348.db2.gz XJQPOILRTQGCLR-UHFFFAOYSA-N 2 0 273.377 -0.375 20 0 CBADRP C[C@H]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000515523151 373790873 /nfs/dbraw/zinc/79/08/73/373790873.db2.gz QDAIXYOPVXKTCW-RYUDHWBXSA-N 2 0 297.403 -0.956 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000515619014 373791253 /nfs/dbraw/zinc/79/12/53/373791253.db2.gz FHORZGOSUVJNMO-HZSPNIEDSA-N 2 0 295.431 -0.184 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000515520871 373791372 /nfs/dbraw/zinc/79/13/72/373791372.db2.gz BEUBQULZEVTXJI-NEPJUHHUSA-N 2 0 271.409 -0.389 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000515648365 373793341 /nfs/dbraw/zinc/79/33/41/373793341.db2.gz SOPLTRCNNULVPZ-ZJUUUORDSA-N 2 0 266.349 -0.503 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000516063233 373801901 /nfs/dbraw/zinc/80/19/01/373801901.db2.gz QQPYQUNBUKVBAX-ZJUUUORDSA-N 2 0 257.334 -0.475 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC[NH+](C)C1CC1 ZINC000524299528 373883426 /nfs/dbraw/zinc/88/34/26/373883426.db2.gz UKGKRGLHIYMHBX-ZDUSSCGKSA-N 2 0 283.420 -0.374 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000521986557 373853609 /nfs/dbraw/zinc/85/36/09/373853609.db2.gz LNVUHBLYANQEMA-QWRGUYRKSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000521986555 373853989 /nfs/dbraw/zinc/85/39/89/373853989.db2.gz LNVUHBLYANQEMA-GHMZBOCLSA-N 2 0 282.388 -0.689 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000522138505 373860167 /nfs/dbraw/zinc/86/01/67/373860167.db2.gz UQVJJQVXSDGCCS-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000522102672 373860982 /nfs/dbraw/zinc/86/09/82/373860982.db2.gz RJPGIHHWAWBYHK-ZIAGYGMSSA-N 2 0 297.447 -0.127 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000522144820 373861162 /nfs/dbraw/zinc/86/11/62/373861162.db2.gz OWMLDNUNRSBGJI-GFCCVEGCSA-N 2 0 254.378 -0.698 20 0 CBADRP O=C(NC[C@H]1CCCC[NH2+]1)NC[C@@H]1COCC[NH2+]1 ZINC000529331363 374004869 /nfs/dbraw/zinc/00/48/69/374004869.db2.gz VJMLHXFTMWBLOO-GHMZBOCLSA-N 2 0 256.350 -0.584 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529336234 374005110 /nfs/dbraw/zinc/00/51/10/374005110.db2.gz GMMYRQYPMGGNHM-MXWKQRLJSA-N 2 0 256.350 -0.728 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000529337922 374006711 /nfs/dbraw/zinc/00/67/11/374006711.db2.gz JHVIPLIUSAGEOZ-RWMBFGLXSA-N 2 0 282.388 -0.338 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529339148 374006861 /nfs/dbraw/zinc/00/68/61/374006861.db2.gz NKVOKPQBOFEQLY-VWYCJHECSA-N 2 0 256.350 -0.728 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529339123 374006910 /nfs/dbraw/zinc/00/69/10/374006910.db2.gz NKVOKPQBOFEQLY-GMTAPVOTSA-N 2 0 256.350 -0.728 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CCO1 ZINC000529350614 374008756 /nfs/dbraw/zinc/00/87/56/374008756.db2.gz PIHMPJDBXDYDLZ-MNOVXSKESA-N 2 0 268.361 -0.360 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529354183 374010138 /nfs/dbraw/zinc/01/01/38/374010138.db2.gz JUEQARZSUSBKFB-WCQYABFASA-N 2 0 282.388 -0.363 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529354184 374010244 /nfs/dbraw/zinc/01/02/44/374010244.db2.gz JUEQARZSUSBKFB-YPMHNXCESA-N 2 0 282.388 -0.363 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529387218 374023569 /nfs/dbraw/zinc/02/35/69/374023569.db2.gz KTAZJYFFGYLZCO-TUAOUCFPSA-N 2 0 270.377 -0.114 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[NH+](CC2CC2)CC1 ZINC000529375301 374014435 /nfs/dbraw/zinc/01/44/35/374014435.db2.gz PSQQKLAZGBXDRU-CYBMUJFWSA-N 2 0 282.388 -0.288 20 0 CBADRP CN(C(=O)NC[C@H]1COCC[NH2+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000529376434 374016760 /nfs/dbraw/zinc/01/67/60/374016760.db2.gz DAZAFKFCUAHLAC-FXJUQPSGSA-N 2 0 282.388 -0.101 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529378563 374019223 /nfs/dbraw/zinc/01/92/23/374019223.db2.gz IYQPSEMANKPNEA-STQMWFEESA-N 2 0 284.404 -0.042 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529380335 374019462 /nfs/dbraw/zinc/01/94/62/374019462.db2.gz UVQJLOCINSHDOV-RYUDHWBXSA-N 2 0 270.377 -0.432 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000529384620 374024309 /nfs/dbraw/zinc/02/43/09/374024309.db2.gz DEIKHSDVVXQQPF-QJPTWQEYSA-N 2 0 268.361 -0.632 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529388354 374026726 /nfs/dbraw/zinc/02/67/26/374026726.db2.gz NQXLFVXTJWPPDU-NWDGAFQWSA-N 2 0 270.377 -0.384 20 0 CBADRP O=C1NCC[C@@H]1[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239709 374069615 /nfs/dbraw/zinc/06/96/15/374069615.db2.gz HCZJEUIHJKDHSV-STQMWFEESA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239338 374069725 /nfs/dbraw/zinc/06/97/25/374069725.db2.gz RYCMYJNTFMMVRR-PWSUYJOCSA-N 2 0 298.387 -0.340 20 0 CBADRP CNC(=O)CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000530564045 374087621 /nfs/dbraw/zinc/08/76/21/374087621.db2.gz IWYGCBBNZOABTM-UHFFFAOYSA-N 2 0 258.366 -0.926 20 0 CBADRP Cn1cc(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000530641803 374091993 /nfs/dbraw/zinc/09/19/93/374091993.db2.gz NYYVQBBFIVICLD-UHFFFAOYSA-N 2 0 281.404 -0.086 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CN1CCCNC1=O ZINC000530641440 374092230 /nfs/dbraw/zinc/09/22/30/374092230.db2.gz ZVSPPAVBAOKZOK-UHFFFAOYSA-N 2 0 299.419 -0.647 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CSCC(N)=O ZINC000532013842 374155991 /nfs/dbraw/zinc/15/59/91/374155991.db2.gz JEBHNGIGWKFAKY-UHFFFAOYSA-N 2 0 290.433 -0.843 20 0 CBADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NCC[NH+](C)C ZINC000552082088 374260796 /nfs/dbraw/zinc/26/07/96/374260796.db2.gz FZGZPNBXKITMFH-AVGNSLFASA-N 2 0 298.431 -0.101 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000564740007 374327351 /nfs/dbraw/zinc/32/73/51/374327351.db2.gz MTKFULFAUVMJCB-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000571658935 374336180 /nfs/dbraw/zinc/33/61/80/374336180.db2.gz XJWQUXCLWKGXEE-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H](CNC(=O)CC1(C[NH3+])CC1)N1CC[NH+](C)CC1 ZINC000577846012 374340665 /nfs/dbraw/zinc/34/06/65/374340665.db2.gz SSSMJMQPODDICB-LBPRGKRZSA-N 2 0 268.405 -0.133 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000583753372 374364536 /nfs/dbraw/zinc/36/45/36/374364536.db2.gz XMCIJFBIJVQGTN-TUAOUCFPSA-N 2 0 296.415 -0.171 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3C[NH3+])C[C@@H]21 ZINC000577947010 374346492 /nfs/dbraw/zinc/34/64/92/374346492.db2.gz XURWOKMRMPBMKI-UPJWGTAASA-N 2 0 294.399 -0.511 20 0 CBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CCN2C1=O ZINC000577964063 374346834 /nfs/dbraw/zinc/34/68/34/374346834.db2.gz XHWFZLYOZQOBRW-USZNOCQGSA-N 2 0 280.372 -0.726 20 0 CBADRP C[C@@H]1CCCN(C(=O)c2cn(CCC[NH3+])nn2)[C@@H]1C[NH3+] ZINC000644063355 374482912 /nfs/dbraw/zinc/48/29/12/374482912.db2.gz RJLAQERXZHOLCK-ZYHUDNBSSA-N 2 0 280.376 -0.174 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000644145981 374493549 /nfs/dbraw/zinc/49/35/49/374493549.db2.gz XFLCFRZNJJOANI-LLVKDONJSA-N 2 0 253.346 -0.377 20 0 CBADRP CN(C)CC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000644226691 374504997 /nfs/dbraw/zinc/50/49/97/374504997.db2.gz ASUZMDHXDCQAFW-UTUOFQBUSA-N 2 0 255.362 -0.348 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000644543847 374592162 /nfs/dbraw/zinc/59/21/62/374592162.db2.gz XYBCJJCEHIVLBT-LOWVWBTDSA-N 2 0 253.346 -0.425 20 0 CBADRP COC[C@@H](O)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000644562324 374595446 /nfs/dbraw/zinc/59/54/46/374595446.db2.gz JXPVIVIAEWYENN-LBPRGKRZSA-N 2 0 259.394 -0.391 20 0 CBADRP CC[C@@H](COC)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000644571947 374597549 /nfs/dbraw/zinc/59/75/49/374597549.db2.gz MSRWBEDEUKQXRV-QWHCGFSZSA-N 2 0 259.394 -0.391 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCC(C)(C)CO)CC1 ZINC000644598214 374601387 /nfs/dbraw/zinc/60/13/87/374601387.db2.gz PBCMCGQCKUSIBG-AWEZNQCLSA-N 2 0 287.448 -0.017 20 0 CBADRP C[C@@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)[NH+](C)C ZINC000645440021 374671930 /nfs/dbraw/zinc/67/19/30/374671930.db2.gz FCUOHLOHDJWAEF-RYUDHWBXSA-N 2 0 299.419 -0.302 20 0 CBADRP O=C(NCCNc1cc[nH+]cc1)[C@H]1C[NH2+]CCO1 ZINC000645643567 374689223 /nfs/dbraw/zinc/68/92/23/374689223.db2.gz YELLZSMLSBRRSG-LLVKDONJSA-N 2 0 250.302 -0.980 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000645685302 374692112 /nfs/dbraw/zinc/69/21/12/374692112.db2.gz ZURFHVIVXYPSCH-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000645684890 374692635 /nfs/dbraw/zinc/69/26/35/374692635.db2.gz LWJVYQVUJBXKQT-SNVBAGLBSA-N 2 0 266.349 -0.549 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000646180786 374750242 /nfs/dbraw/zinc/75/02/42/374750242.db2.gz AZVJNMYIGWIPBB-LBPRGKRZSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCN1CC[NH2+]CC1 ZINC000646196329 374753583 /nfs/dbraw/zinc/75/35/83/374753583.db2.gz FXCDZKWTPMKVSY-GHMZBOCLSA-N 2 0 257.382 -0.683 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000646216644 374759115 /nfs/dbraw/zinc/75/91/15/374759115.db2.gz LDCLIPSRZMRPAJ-VHSXEESVSA-N 2 0 256.350 -0.504 20 0 CBADRP CC1(C)COCCN1CCNC(=O)COCC[NH3+] ZINC000645926801 374713473 /nfs/dbraw/zinc/71/34/73/374713473.db2.gz XBUMLFLAEGEDAY-UHFFFAOYSA-N 2 0 259.350 -0.811 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953214 374716462 /nfs/dbraw/zinc/71/64/62/374716462.db2.gz IVGKYPYKEBIEEY-STQMWFEESA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645947313 374716853 /nfs/dbraw/zinc/71/68/53/374716853.db2.gz XWGDYOJCUCFBKY-NWDGAFQWSA-N 2 0 268.405 -0.264 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953157 374716951 /nfs/dbraw/zinc/71/69/51/374716951.db2.gz FLMKBXLPNXJMSQ-STQMWFEESA-N 2 0 294.399 -0.545 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953366 374718130 /nfs/dbraw/zinc/71/81/30/374718130.db2.gz RCXNFJCNHDCNME-CHWSQXEVSA-N 2 0 267.373 -0.035 20 0 CBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)COCC[NH3+])C2)CC1 ZINC000645977911 374721181 /nfs/dbraw/zinc/72/11/81/374721181.db2.gz NBDWSIWJWUMCMC-LBPRGKRZSA-N 3 0 284.404 -0.754 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000646003211 374725320 /nfs/dbraw/zinc/72/53/20/374725320.db2.gz WMWYLRVVLIOESH-KBPBESRZSA-N 2 0 298.431 -0.411 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009374 374726301 /nfs/dbraw/zinc/72/63/01/374726301.db2.gz FSHFTHSETODBAM-ZIAGYGMSSA-N 2 0 298.431 -0.635 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009604 374727386 /nfs/dbraw/zinc/72/73/86/374727386.db2.gz WUBYQWGQCKGXJG-CHWSQXEVSA-N 2 0 284.404 -0.754 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)N1CC[NH+](C)CC1 ZINC000646027034 374731652 /nfs/dbraw/zinc/73/16/52/374731652.db2.gz XSUJFYTXTZIMSO-NWDGAFQWSA-N 2 0 268.405 -0.264 20 0 CBADRP C[NH+]1CCC2(CC1)CN([C@@H]1CCNC1=O)CCO2 ZINC000646104451 374740194 /nfs/dbraw/zinc/74/01/94/374740194.db2.gz DIVWWYBIFGUKKC-LLVKDONJSA-N 2 0 253.346 -0.329 20 0 CBADRP C[NH+]1CCC2(CC1)CN(CCN1CCNC1=O)CCO2 ZINC000646106676 374740262 /nfs/dbraw/zinc/74/02/62/374740262.db2.gz KYICCNPJUXZOJQ-UHFFFAOYSA-N 2 0 282.388 -0.192 20 0 CBADRP [NH3+]CCOCC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000646615263 374795463 /nfs/dbraw/zinc/79/54/63/374795463.db2.gz HLUCCLSUMIWMTD-UHFFFAOYSA-N 2 0 266.345 -0.347 20 0 CBADRP [NH3+]C1(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCC1 ZINC000646638668 374798497 /nfs/dbraw/zinc/79/84/97/374798497.db2.gz QESDOOSQJVYKJQ-LBPRGKRZSA-N 2 0 294.399 -0.462 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)NC[C@@H]2CCCC[NH2+]2)nn1 ZINC000646650540 374799813 /nfs/dbraw/zinc/79/98/13/374799813.db2.gz BLCDAEUKGLWERG-NSHDSACASA-N 2 0 280.376 -0.111 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CCCC[NH2+]1 ZINC000646649834 374800210 /nfs/dbraw/zinc/80/02/10/374800210.db2.gz YLVIYKTXCYYFIZ-GHMZBOCLSA-N 2 0 268.361 -0.887 20 0 CBADRP [NH3+]C1CCC(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000646664644 374801384 /nfs/dbraw/zinc/80/13/84/374801384.db2.gz AXJFJIILLFJITP-MCIGGMRASA-N 2 0 282.388 -0.369 20 0 CBADRP CC(C)([NH3+])CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000646667604 374802573 /nfs/dbraw/zinc/80/25/73/374802573.db2.gz MJBKEAJWMLBHCY-JTQLQIEISA-N 2 0 270.377 -0.573 20 0 CBADRP [NH3+]CCOCC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000646675552 374803998 /nfs/dbraw/zinc/80/39/98/374803998.db2.gz RXQBDGPYJPVROF-UHFFFAOYSA-N 2 0 279.344 -0.595 20 0 CBADRP C[C@@H]1CCCN(C(=O)C[C@H]2C[NH2+]CCO2)[C@@H]1C[NH3+] ZINC000646771600 374811101 /nfs/dbraw/zinc/81/11/01/374811101.db2.gz YXMFUZYGGNPMIL-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000646803742 374816682 /nfs/dbraw/zinc/81/66/82/374816682.db2.gz LTFXKBSLCVLUNH-HTQZYQBOSA-N 2 0 267.337 -0.864 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(C)(C)N2CC[NH2+]CC2)CCO1 ZINC000646844030 374825421 /nfs/dbraw/zinc/82/54/21/374825421.db2.gz NXIAOELINUFKFR-VXGBXAGGSA-N 2 0 284.404 -0.755 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)CCO1 ZINC000646843841 374825511 /nfs/dbraw/zinc/82/55/11/374825511.db2.gz MKMDXBSPARYDJG-SRRSOLGSSA-N 2 0 253.346 -0.439 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)COC2CCC([NH3+])CC2)CCO1 ZINC000646844184 374826190 /nfs/dbraw/zinc/82/61/90/374826190.db2.gz PQBOETZONWSQTN-IKWCTNDRSA-N 2 0 285.388 -0.153 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646343891 374772496 /nfs/dbraw/zinc/77/24/96/374772496.db2.gz VUTMXCLAWWYTHU-AGIUHOORSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+][C@@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)C1CCC1 ZINC000646350131 374772693 /nfs/dbraw/zinc/77/26/93/374772693.db2.gz BSBBTACPADXCCZ-QWHCGFSZSA-N 2 0 266.389 -0.380 20 0 CBADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000646363885 374773931 /nfs/dbraw/zinc/77/39/31/374773931.db2.gz JKRCWFDIXNOKTI-YDHLFZDLSA-N 2 0 278.400 -0.508 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000646363604 374774275 /nfs/dbraw/zinc/77/42/75/374774275.db2.gz KSICZMGRUJPWJE-WFASDCNBSA-N 2 0 294.399 -0.543 20 0 CBADRP C[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000646408243 374775687 /nfs/dbraw/zinc/77/56/87/374775687.db2.gz VSVOZVMSNPQVGT-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000646411000 374776214 /nfs/dbraw/zinc/77/62/14/374776214.db2.gz AHGAANGMVRJJKT-LBPRGKRZSA-N 2 0 268.405 -0.119 20 0 CBADRP O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1C[NH2+]CCO1 ZINC000646555143 374785948 /nfs/dbraw/zinc/78/59/48/374785948.db2.gz NXILZIRHSZYKBM-ZDUSSCGKSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH2+]CCC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000647030946 374864657 /nfs/dbraw/zinc/86/46/57/374864657.db2.gz YLCBMBOILPDXGV-VIFPVBQESA-N 2 0 282.310 -0.452 20 0 CBADRP C[NH2+]CCC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000647030945 374864854 /nfs/dbraw/zinc/86/48/54/374864854.db2.gz YLCBMBOILPDXGV-SECBINFHSA-N 2 0 282.310 -0.452 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000647073844 374879465 /nfs/dbraw/zinc/87/94/65/374879465.db2.gz MITVNRUXSPDXPJ-YNEHKIRRSA-N 2 0 296.415 -0.122 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000647075778 374879494 /nfs/dbraw/zinc/87/94/94/374879494.db2.gz NNJJKZHQJLOUNJ-DTWKUNHWSA-N 2 0 263.288 -0.522 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000647080759 374880735 /nfs/dbraw/zinc/88/07/35/374880735.db2.gz KJGYMPXIAQZPAG-KGLIPLIRSA-N 2 0 294.374 -0.112 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000647080760 374881049 /nfs/dbraw/zinc/88/10/49/374881049.db2.gz KJGYMPXIAQZPAG-UONOGXRCSA-N 2 0 294.374 -0.112 20 0 CBADRP CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@H](C[NH3+])C1CC1 ZINC000647085482 374883908 /nfs/dbraw/zinc/88/39/08/374883908.db2.gz DGBRWUYPCVHFJV-VXGBXAGGSA-N 2 0 282.388 -0.560 20 0 CBADRP O=C(CCC1CC[NH2+]CC1)NC[C@H]1C[NH2+]CCO1 ZINC000647086634 374884284 /nfs/dbraw/zinc/88/42/84/374884284.db2.gz NYZPFHFZXXWQCY-GFCCVEGCSA-N 2 0 255.362 -0.129 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000647085556 374884835 /nfs/dbraw/zinc/88/48/35/374884835.db2.gz RPXYVKKNGMMPFA-JXQTWKCFSA-N 2 0 298.431 -0.317 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000647095388 374885556 /nfs/dbraw/zinc/88/55/56/374885556.db2.gz WYHFNSNAAAEAKI-LLVKDONJSA-N 2 0 255.362 -0.217 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000647089539 374886175 /nfs/dbraw/zinc/88/61/75/374886175.db2.gz NWGQLLZDLLGLMU-NWDGAFQWSA-N 2 0 294.330 -0.846 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3[NH2+]CC3(C)C)C[C@H]2[NH3+])cn1 ZINC000647096389 374886223 /nfs/dbraw/zinc/88/62/23/374886223.db2.gz PSYOGMDYHQNGGZ-QJPTWQEYSA-N 2 0 277.372 -0.329 20 0 CBADRP COC[C@@]1(C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000647088951 374886264 /nfs/dbraw/zinc/88/62/64/374886264.db2.gz BSDCDNKZMSOZEL-WCQYABFASA-N 2 0 271.361 -0.811 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000646917850 374841745 /nfs/dbraw/zinc/84/17/45/374841745.db2.gz ITTREFAHDGBQML-KGLIPLIRSA-N 2 0 280.416 -0.214 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000646917849 374841796 /nfs/dbraw/zinc/84/17/96/374841796.db2.gz ITTREFAHDGBQML-KBPBESRZSA-N 2 0 280.416 -0.214 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)C[C@H]2CSCC[NH2+]2)CCO1 ZINC000646972133 374854635 /nfs/dbraw/zinc/85/46/35/374854635.db2.gz LZNACGSZBZJIBY-UWVGGRQHSA-N 2 0 259.375 -0.732 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC[C@H]1CCC[NH2+]1 ZINC000646983386 374855651 /nfs/dbraw/zinc/85/56/51/374855651.db2.gz OSAJYYGGXHGSRQ-GHMZBOCLSA-N 2 0 268.361 -0.887 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000646979522 374855851 /nfs/dbraw/zinc/85/58/51/374855851.db2.gz UBQFCRIBUDSBOB-WOPDTQHZSA-N 2 0 282.388 -0.641 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[NH2+]CC1 ZINC000646988226 374857204 /nfs/dbraw/zinc/85/72/04/374857204.db2.gz JTXLHLLBIARKDR-MNOVXSKESA-N 2 0 268.361 -0.887 20 0 CBADRP COC[C@]1(C(=O)N2CCC(C)([NH3+])CC2)CC[NH2+]C1 ZINC000646993082 374857349 /nfs/dbraw/zinc/85/73/49/374857349.db2.gz GUFRQRSULLPXMB-ZDUSSCGKSA-N 2 0 255.362 -0.048 20 0 CBADRP CC[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000647014961 374859803 /nfs/dbraw/zinc/85/98/03/374859803.db2.gz DINMLCLKSRADJN-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000647014932 374860066 /nfs/dbraw/zinc/86/00/66/374860066.db2.gz CZDNKYYNLJKWOH-GRYCIOLGSA-N 2 0 282.388 -0.560 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000647017884 374860620 /nfs/dbraw/zinc/86/06/20/374860620.db2.gz GGHBMTDABDYZQZ-OLZOCXBDSA-N 2 0 296.415 -0.168 20 0 CBADRP CC[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000647014960 374860648 /nfs/dbraw/zinc/86/06/48/374860648.db2.gz DINMLCLKSRADJN-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]1COCCN1CCNC(=O)Cn1ccnc1 ZINC000574615506 335034019 /nfs/dbraw/zinc/03/40/19/335034019.db2.gz CYCKYAWJVORHHE-NSHDSACASA-N 2 0 252.318 -0.280 20 0 CBADRP C[N@H+](CCNC(=O)CNC(=O)C[NH3+])Cc1ccc(F)cc1 ZINC000262353988 190053568 /nfs/dbraw/zinc/05/35/68/190053568.db2.gz FQFPQCQCEUKJFH-UHFFFAOYSA-N 2 0 296.346 -0.551 20 0 CBADRP CN[C@@H](C(=O)N[C@H](C)CN1CCOCC1)c1cnn(C)c1 ZINC000262532627 190057150 /nfs/dbraw/zinc/05/71/50/190057150.db2.gz MFBZLXHDDCPTFB-DGCLKSJQSA-N 2 0 295.387 -0.483 20 0 CBADRP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000356954513 248304921 /nfs/dbraw/zinc/30/49/21/248304921.db2.gz DHWPWHKRJOWQKJ-UHFFFAOYSA-N 2 0 296.415 -0.392 20 0 CBADRP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CC[NH+]2CCC1CC2 ZINC000357001373 248307244 /nfs/dbraw/zinc/30/72/44/248307244.db2.gz SEKNXYAGXJZRMG-CQSZACIVSA-N 2 0 278.400 -0.317 20 0 CBADRP CS(=O)(=O)NC[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000357067547 248315761 /nfs/dbraw/zinc/31/57/61/248315761.db2.gz FHEMPTMTPNQETM-NSHDSACASA-N 2 0 279.406 -0.777 20 0 CBADRP C[C@H](C[NH3+])C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000357240739 248337410 /nfs/dbraw/zinc/33/74/10/248337410.db2.gz KAXQGDYMXKQJMR-SNVBAGLBSA-N 2 0 296.375 -0.906 20 0 CBADRP C[C@H]1C[N@H+](CCOCC[NH3+])C[C@H]1N1CCOCC1 ZINC000357082082 248320147 /nfs/dbraw/zinc/32/01/47/248320147.db2.gz OOCJJNKGPYKNPE-QWHCGFSZSA-N 2 0 257.378 -0.386 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000357090222 248320821 /nfs/dbraw/zinc/32/08/21/248320821.db2.gz ZYDFZONJTVNEBX-UHFFFAOYSA-N 2 0 298.431 -0.408 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000357235290 248336778 /nfs/dbraw/zinc/33/67/78/248336778.db2.gz BOUAZKAXWFSFBJ-GFCCVEGCSA-N 2 0 284.404 -0.406 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@@H](C)C[NH3+])CC1 ZINC000357237261 248337156 /nfs/dbraw/zinc/33/71/56/248337156.db2.gz GXVRUMABJOXGJR-LBPRGKRZSA-N 2 0 256.394 -0.275 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000357230766 248338616 /nfs/dbraw/zinc/33/86/16/248338616.db2.gz YMHSRVUPWJXRMB-STQMWFEESA-N 2 0 287.404 -0.162 20 0 CBADRP C[C@H](C[NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000357249351 248339589 /nfs/dbraw/zinc/33/95/89/248339589.db2.gz SEMRDJANRNHQFP-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000357303233 248347227 /nfs/dbraw/zinc/34/72/27/248347227.db2.gz IHQZEVWIQLQANE-RSLMWUCJSA-N 2 0 284.404 -0.411 20 0 CBADRP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000357921391 248422236 /nfs/dbraw/zinc/42/22/36/248422236.db2.gz LQMLJBYLLQSROM-UPJWGTAASA-N 2 0 267.373 -0.347 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419732936 284627478 /nfs/dbraw/zinc/62/74/78/284627478.db2.gz NFFDCZMIJYFGLI-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419729672 284626678 /nfs/dbraw/zinc/62/66/78/284626678.db2.gz IIPUMQPGCFBFKT-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653132635 412885108 /nfs/dbraw/zinc/88/51/08/412885108.db2.gz RYPXWJBFAOXENQ-GVXVVHGQSA-N 2 0 253.346 -0.519 20 0 CBADRP C[N@@H+]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653130354 412885227 /nfs/dbraw/zinc/88/52/27/412885227.db2.gz GTSCFZOWOTVSBZ-AAEUAGOBSA-N 2 0 253.346 -0.614 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)C[C@H]21 ZINC000653129723 412885313 /nfs/dbraw/zinc/88/53/13/412885313.db2.gz HFBNBZCQTRPQJF-WHPHWUKISA-N 2 0 279.384 -0.192 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653132636 412885331 /nfs/dbraw/zinc/88/53/31/412885331.db2.gz RYPXWJBFAOXENQ-LOWVWBTDSA-N 2 0 253.346 -0.519 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653128612 412885445 /nfs/dbraw/zinc/88/54/45/412885445.db2.gz ORMYZWRKOJGASK-DCQANWLSSA-N 2 0 253.346 -0.582 20 0 CBADRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(=O)n(C)c1=O ZINC000346863700 218041793 /nfs/dbraw/zinc/04/17/93/218041793.db2.gz XYUWUDZNQNBZEI-CYZMBNFOSA-N 2 0 292.383 -0.357 20 0 CBADRP C[C@@H](O)C(=O)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000346992537 218082488 /nfs/dbraw/zinc/08/24/88/218082488.db2.gz URVGBABASKTLHY-LLVKDONJSA-N 2 0 255.362 -0.489 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419839468 284776437 /nfs/dbraw/zinc/77/64/37/284776437.db2.gz HLSPUQHZDPZOIZ-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](C(=O)NC(N)=O)N1CCN(c2nccn2C)CC1 ZINC000266882498 190286979 /nfs/dbraw/zinc/28/69/79/190286979.db2.gz AMNUJNLWTDBZKZ-VIFPVBQESA-N 2 0 280.332 -0.875 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419770368 284794075 /nfs/dbraw/zinc/79/40/75/284794075.db2.gz DPMYSAZVGKIUNI-YNEHKIRRSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CNC(=O)C[NH3+] ZINC000347697185 218326850 /nfs/dbraw/zinc/32/68/50/218326850.db2.gz VDUKUEMFWUYTHP-GFCCVEGCSA-N 2 0 284.404 -0.168 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000574755015 335044742 /nfs/dbraw/zinc/04/47/42/335044742.db2.gz SFXBUUSGDBOCBD-AVGNSLFASA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000574754645 335044903 /nfs/dbraw/zinc/04/49/03/335044903.db2.gz GQIUNIARKVCXPI-GARJFASQSA-N 2 0 257.382 -0.685 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000157336171 295600398 /nfs/dbraw/zinc/60/03/98/295600398.db2.gz ORISWTCFDKLMPL-WDEREUQCSA-N 2 0 275.418 -0.144 20 0 CBADRP COCC[NH2+][C@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000574766555 335046023 /nfs/dbraw/zinc/04/60/23/335046023.db2.gz MZJZTTXPVJKXLA-JTQLQIEISA-N 2 0 257.334 -0.698 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)C[C@H](C)[NH2+]1 ZINC000153578721 207381652 /nfs/dbraw/zinc/38/16/52/207381652.db2.gz GJWPRVTWUUZURM-TUAOUCFPSA-N 2 0 255.362 -0.036 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000153948259 207382215 /nfs/dbraw/zinc/38/22/15/207382215.db2.gz AWTFIXHDDAWADO-STQMWFEESA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@@H](O)CN1CCN(C(=O)C(C)(C)C[NH3+])C[C@@H]1C ZINC000167983832 207397538 /nfs/dbraw/zinc/39/75/38/207397538.db2.gz AGBBOEAVOGSUEY-WDEREUQCSA-N 2 0 257.378 -0.115 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418709503 284980714 /nfs/dbraw/zinc/98/07/14/284980714.db2.gz VBOONAPVXDSFFE-WDEREUQCSA-N 2 0 260.382 -0.058 20 0 CBADRP CC[NH+](CC)CCCNC(=O)N(CC[NH3+])CCO ZINC000416796660 207549657 /nfs/dbraw/zinc/54/96/57/207549657.db2.gz AXYVSXUXPPSEND-UHFFFAOYSA-N 2 0 260.382 -0.319 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000417443334 207554575 /nfs/dbraw/zinc/55/45/75/207554575.db2.gz XWYSYIQKVWDJEI-NSHDSACASA-N 2 0 258.366 -0.384 20 0 CBADRP COC[C@@]1(CNC(=O)N[C@@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000418385527 207581972 /nfs/dbraw/zinc/58/19/72/207581972.db2.gz QCOSZZYNYRPLHL-YPMHNXCESA-N 2 0 270.377 -0.194 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418436628 207584471 /nfs/dbraw/zinc/58/44/71/207584471.db2.gz JFRWGOJUEPPSDK-LLVKDONJSA-N 2 0 271.409 -0.293 20 0 CBADRP COCC[NH2+]CCNC(=O)NC(C)(C)C[NH+](C)C ZINC000418514201 207591422 /nfs/dbraw/zinc/59/14/22/207591422.db2.gz WIXTZILJBACRMD-UHFFFAOYSA-N 2 0 260.382 -0.138 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418847020 207614439 /nfs/dbraw/zinc/61/44/39/207614439.db2.gz ZQZXHQSHXCZBJW-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418932232 207622114 /nfs/dbraw/zinc/62/21/14/207622114.db2.gz HQHWWZOMYQQNJC-FRRDWIJNSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418952061 207623922 /nfs/dbraw/zinc/62/39/22/207623922.db2.gz UXZFEKKRLDFICQ-JQWIXIFHSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C(C)(C)C ZINC000419135585 207646385 /nfs/dbraw/zinc/64/63/85/207646385.db2.gz NHRIXORCYFYBQR-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000419415011 207688545 /nfs/dbraw/zinc/68/85/45/207688545.db2.gz FPJUNQHRHSZHLS-CHWSQXEVSA-N 2 0 298.431 -0.194 20 0 CBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NCCC[NH3+])C1 ZINC000419416443 207691243 /nfs/dbraw/zinc/69/12/43/207691243.db2.gz HFLZFDYADISIOY-CHWSQXEVSA-N 2 0 298.431 -0.064 20 0 CBADRP C[C@H](CCNC(=O)C(=O)NCCC[NH3+])[NH+]1CCCCC1 ZINC000419719449 207725706 /nfs/dbraw/zinc/72/57/06/207725706.db2.gz XQGDPSGFXUNYKL-GFCCVEGCSA-N 2 0 284.404 -0.168 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000349024887 285031903 /nfs/dbraw/zinc/03/19/03/285031903.db2.gz FVGHUWDXCRKQSD-LBPRGKRZSA-N 2 0 285.388 -0.408 20 0 CBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420024955 207778161 /nfs/dbraw/zinc/77/81/61/207778161.db2.gz ASDVTTHLQVWQKR-CYBMUJFWSA-N 2 0 296.415 -0.216 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000167263616 285036096 /nfs/dbraw/zinc/03/60/96/285036096.db2.gz GLBYHYRVGNYARK-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000187945327 285036631 /nfs/dbraw/zinc/03/66/31/285036631.db2.gz ZQGCLEHTDUCWPB-RWMBFGLXSA-N 2 0 285.388 -0.410 20 0 CBADRP O=C1NC(=O)N2CC[N@H+](CC3CC[NH2+]CC3)C[C@@H]12 ZINC000346991544 296357100 /nfs/dbraw/zinc/35/71/00/296357100.db2.gz TXFCBXXIACNDHD-JTQLQIEISA-N 2 0 252.318 -0.778 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000427270794 208058557 /nfs/dbraw/zinc/05/85/57/208058557.db2.gz XZCJLJPGXDTFKU-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000427577187 208063370 /nfs/dbraw/zinc/06/33/70/208063370.db2.gz JRGLQXXUQCVNJG-WOPDTQHZSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000427577185 208063944 /nfs/dbraw/zinc/06/39/44/208063944.db2.gz JRGLQXXUQCVNJG-IJLUTSLNSA-N 2 0 255.362 -0.131 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428189151 208082636 /nfs/dbraw/zinc/08/26/36/208082636.db2.gz BDUTUDOEGUDHTJ-JQWIXIFHSA-N 2 0 270.377 -0.750 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@H](C[NH3+])C2)CC1=O ZINC000428532385 208091391 /nfs/dbraw/zinc/09/13/91/208091391.db2.gz LWDYNDYCKYMMHJ-CHWSQXEVSA-N 2 0 296.415 -0.406 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000429170248 208111560 /nfs/dbraw/zinc/11/15/60/208111560.db2.gz KDGCQYCDMZMORX-GFCCVEGCSA-N 2 0 256.394 -0.277 20 0 CBADRP COCCOCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430636398 208167840 /nfs/dbraw/zinc/16/78/40/208167840.db2.gz YLQWECAAHOHAOE-AWEZNQCLSA-N 2 0 299.415 -0.207 20 0 CBADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(C[NH3+])CC1 ZINC000430638347 208168583 /nfs/dbraw/zinc/16/85/83/208168583.db2.gz FMJXNNINBKDCGJ-DGCLKSJQSA-N 2 0 296.415 -0.231 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000430635053 208168759 /nfs/dbraw/zinc/16/87/59/208168759.db2.gz FVFLUMFSDWBKSV-CYBMUJFWSA-N 2 0 296.415 -0.310 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)C[C@H]2C[NH2+]CCO2)CCSC1 ZINC000430688003 208171205 /nfs/dbraw/zinc/17/12/05/208171205.db2.gz UCEGKEZPLDGUKA-AAEUAGOBSA-N 2 0 287.429 -0.082 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)C(C)(C)[NH3+])CC1 ZINC000430762316 208179297 /nfs/dbraw/zinc/17/92/97/208179297.db2.gz AWDUNPITCLMOJB-UHFFFAOYSA-N 2 0 256.394 -0.134 20 0 CBADRP CC[C@@H]1CN(C(=O)COC2C[NH2+]C2)CC[N@@H+]1C[C@@H](C)O ZINC000430743302 208179797 /nfs/dbraw/zinc/17/97/97/208179797.db2.gz QWQGZZQIALWVCM-VXGBXAGGSA-N 2 0 285.388 -0.722 20 0 CBADRP O=C([C@H]1CC[NH2+]C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000430774572 208182828 /nfs/dbraw/zinc/18/28/28/208182828.db2.gz FMVXLVRATZVSRV-LBPRGKRZSA-N 2 0 267.373 -0.081 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000430779255 208182949 /nfs/dbraw/zinc/18/29/49/208182949.db2.gz ZZNCVGGRHLVXLP-UHFFFAOYSA-N 2 0 283.372 -0.702 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000430892248 208186634 /nfs/dbraw/zinc/18/66/34/208186634.db2.gz CCEARPIDGKWWFZ-UPJWGTAASA-N 2 0 296.415 -0.183 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000430893105 208187098 /nfs/dbraw/zinc/18/70/98/208187098.db2.gz CXMOHUMMEMOARV-QWHCGFSZSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC[NH2+]C1 ZINC000430891998 208187303 /nfs/dbraw/zinc/18/73/03/208187303.db2.gz YZIOZUFNQCOZDZ-SMDDNHRTSA-N 2 0 282.388 -0.558 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000430891755 208189001 /nfs/dbraw/zinc/18/90/01/208189001.db2.gz WZVJEGFBPVXTEU-RYUDHWBXSA-N 2 0 284.404 -0.455 20 0 CBADRP CCS(=O)(=O)NCC[NH+]1CCC(C[NH2+]C)CC1 ZINC000430971535 208194713 /nfs/dbraw/zinc/19/47/13/208194713.db2.gz OBIHAMBDWKMRNI-UHFFFAOYSA-N 2 0 263.407 -0.143 20 0 CBADRP C[C@@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)N1CC[NH+](C)CC1 ZINC000431003944 208195267 /nfs/dbraw/zinc/19/52/67/208195267.db2.gz DQVROBSCNDSKGS-KBPBESRZSA-N 2 0 298.431 -0.493 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000431010812 208197568 /nfs/dbraw/zinc/19/75/68/208197568.db2.gz RSONXCWLONKOTD-AWEZNQCLSA-N 2 0 298.431 -0.491 20 0 CBADRP CCN1CC[NH+](CCCCNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000431013763 208198709 /nfs/dbraw/zinc/19/87/09/208198709.db2.gz GSEGCAUKZOIECZ-CQSZACIVSA-N 2 0 298.431 -0.491 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000431027488 208198950 /nfs/dbraw/zinc/19/89/50/208198950.db2.gz WPZMFUDFBVUKOZ-KGYLQXTDSA-N 2 0 267.373 -0.036 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000431012791 208199309 /nfs/dbraw/zinc/19/93/09/208199309.db2.gz GWAKPKYXILPVTG-ZDUSSCGKSA-N 2 0 268.405 -0.260 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000431031215 208201030 /nfs/dbraw/zinc/20/10/30/208201030.db2.gz WLARMARWBTWFSK-OLZOCXBDSA-N 2 0 284.404 -0.883 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)C[C@H](C)[NH3+])CC1 ZINC000431031446 208203114 /nfs/dbraw/zinc/20/31/14/208203114.db2.gz ZPAFDVMANSWBIP-NWDGAFQWSA-N 2 0 256.394 -0.134 20 0 CBADRP CC(C)[C@@H](C[NH3+])C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000433174756 208241749 /nfs/dbraw/zinc/24/17/49/208241749.db2.gz KHGDNFYPLPJZHS-QWHCGFSZSA-N 2 0 298.431 -0.079 20 0 CBADRP [NH3+]C1CC[NH+](CCCC(=O)NCCN2CCOCC2)CC1 ZINC000433175037 208242270 /nfs/dbraw/zinc/24/22/70/208242270.db2.gz LDDXLEBOZOCYEI-UHFFFAOYSA-N 2 0 298.431 -0.362 20 0 CBADRP CC[N@H+](C)CCNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433383913 208245289 /nfs/dbraw/zinc/24/52/89/208245289.db2.gz BUULACYSKOFLBE-LLVKDONJSA-N 2 0 280.376 -0.116 20 0 CBADRP C[C@@H]1C(=O)NCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433117766 208236498 /nfs/dbraw/zinc/23/64/98/208236498.db2.gz ONZPTMGJFLCFRS-LLVKDONJSA-N 2 0 282.388 -0.463 20 0 CBADRP CC(C)[C@@H](C[NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000433134307 208239413 /nfs/dbraw/zinc/23/94/13/208239413.db2.gz GNXBUBXXEXLECH-NEPJUHHUSA-N 2 0 284.404 -0.327 20 0 CBADRP CC[C@H]1C(=O)NCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433133119 208240343 /nfs/dbraw/zinc/24/03/43/208240343.db2.gz CWLHPLOKGHAGAN-ZDUSSCGKSA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)[C@H](C[NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000433134310 208240677 /nfs/dbraw/zinc/24/06/77/208240677.db2.gz GNXBUBXXEXLECH-NWDGAFQWSA-N 2 0 284.404 -0.327 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC2(C)CC[NH2+]CC2)CC1 ZINC000434690486 208264484 /nfs/dbraw/zinc/26/44/84/208264484.db2.gz HPDQRTHSEGCWQK-UHFFFAOYSA-N 2 0 268.405 -0.118 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000434679119 208266295 /nfs/dbraw/zinc/26/62/95/208266295.db2.gz AYHBPWKIUMGNQW-NEPJUHHUSA-N 2 0 284.404 -0.183 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000434711618 208268608 /nfs/dbraw/zinc/26/86/08/208268608.db2.gz QGMMCRWMZHYDFN-QJPTWQEYSA-N 2 0 255.362 -0.036 20 0 CBADRP CC[NH+]1CCN(CC(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000438682773 208312675 /nfs/dbraw/zinc/31/26/75/208312675.db2.gz SOSDEBUFNALESP-UHFFFAOYSA-N 2 0 298.431 -0.538 20 0 CBADRP CC[C@](C)([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C(N)=O ZINC000440562100 208342867 /nfs/dbraw/zinc/34/28/67/208342867.db2.gz WKDXBKKHJVYDPW-HNNXBMFYSA-N 2 0 296.415 -0.027 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000449344147 208496594 /nfs/dbraw/zinc/49/65/94/208496594.db2.gz PKKLKNZBOVJGJR-UHFFFAOYSA-N 2 0 296.415 -0.120 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H](CO)C[NH+]2CCCCC2)C1 ZINC000574857916 335052467 /nfs/dbraw/zinc/05/24/67/335052467.db2.gz KLDZGWZOGRVEAC-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN(C)[C@H](C)C[NH3+])CC1 ZINC000430958457 285188428 /nfs/dbraw/zinc/18/84/28/285188428.db2.gz SNBKUDMHSAGBDT-LLVKDONJSA-N 2 0 256.394 -0.134 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419980817 285256004 /nfs/dbraw/zinc/25/60/04/285256004.db2.gz RJZFNJBXEATJNW-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000420021108 285256143 /nfs/dbraw/zinc/25/61/43/285256143.db2.gz UALRVIBLLUNRPC-VXGBXAGGSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CO ZINC000448853462 285276902 /nfs/dbraw/zinc/27/69/02/285276902.db2.gz PJMKQLQPAYESQZ-LBPRGKRZSA-N 2 0 257.378 -0.147 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419980816 285285044 /nfs/dbraw/zinc/28/50/44/285285044.db2.gz RJZFNJBXEATJNW-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)CC[NH2+]C)CC1 ZINC000357237108 285317970 /nfs/dbraw/zinc/31/79/70/285317970.db2.gz FELQGPNIIJVVPV-ZDUSSCGKSA-N 2 0 270.421 -0.014 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000575046901 335058710 /nfs/dbraw/zinc/05/87/10/335058710.db2.gz UZPAWJRIZNJECS-QWRGUYRKSA-N 2 0 298.387 -0.482 20 0 CBADRP CN(CCN(C)C(=O)C[NH+](C)C)C(=O)C[NH+](C)C ZINC000171187201 335058883 /nfs/dbraw/zinc/05/88/83/335058883.db2.gz ZHZPJOVNJOBQAF-UHFFFAOYSA-N 2 0 258.366 -0.974 20 0 CBADRP O[C@H]1COC[C@@H]1[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000340292764 285368835 /nfs/dbraw/zinc/36/88/35/285368835.db2.gz ZBXIYEQOCBUVCT-KBPBESRZSA-N 2 0 270.373 -0.210 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000250569876 285384172 /nfs/dbraw/zinc/38/41/72/285384172.db2.gz DSJYMMLNBUEAAN-GRYCIOLGSA-N 2 0 255.362 -0.097 20 0 CBADRP NC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000575124106 335069537 /nfs/dbraw/zinc/06/95/37/335069537.db2.gz OJGUWJTXPGMNHZ-GHMZBOCLSA-N 2 0 268.361 -0.107 20 0 CBADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2C[NH2+]CCO2)CCC1 ZINC000333641489 289050312 /nfs/dbraw/zinc/05/03/12/289050312.db2.gz UKFXBZJXVYCCGF-NSHDSACASA-N 2 0 270.377 -0.242 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000417812534 296585744 /nfs/dbraw/zinc/58/57/44/296585744.db2.gz OLXDRPCIOUIQES-VXGBXAGGSA-N 2 0 254.378 -0.604 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000417760044 292336979 /nfs/dbraw/zinc/33/69/79/292336979.db2.gz XDKYOOPHYNLPPY-MNOVXSKESA-N 2 0 260.382 -0.010 20 0 CBADRP COCCC[N@@H+]1CCCN(C(=O)C[C@H](C[NH3+])OC)CC1 ZINC000365224619 292351743 /nfs/dbraw/zinc/35/17/43/292351743.db2.gz XNDMVGTUZSXFJH-CYBMUJFWSA-N 2 0 287.404 -0.079 20 0 CBADRP COCCCS(=O)(=O)NCC[NH+]1CCC(C[NH3+])CC1 ZINC000430640399 292372191 /nfs/dbraw/zinc/37/21/91/292372191.db2.gz JWAMRAQLDIIVQX-UHFFFAOYSA-N 2 0 293.433 -0.387 20 0 CBADRP C[C@H]1CCCN(C(=O)C(=O)N(C)CC[NH+](C)C)[C@H]1C[NH3+] ZINC000423743655 299816123 /nfs/dbraw/zinc/81/61/23/299816123.db2.gz VPBYEFXRBQZWJB-RYUDHWBXSA-N 2 0 284.404 -0.408 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000341667887 289610038 /nfs/dbraw/zinc/61/00/38/289610038.db2.gz UQGNBKAFLZYBKU-TZMCWYRMSA-N 2 0 287.404 -0.617 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000167396172 286906020 /nfs/dbraw/zinc/90/60/20/286906020.db2.gz HXGMIKNPCUGNBN-VXGBXAGGSA-N 2 0 255.362 -0.096 20 0 CBADRP C[C@@H]1CN(C(=O)NCCN2CC[NH2+]CC2)[C@H](C)C[NH2+]1 ZINC000333773907 296830164 /nfs/dbraw/zinc/83/01/64/296830164.db2.gz CLXHNRKLOYRCOK-VXGBXAGGSA-N 2 0 269.393 -0.717 20 0 CBADRP C[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H]1[NH+](C)C ZINC000418675732 296848240 /nfs/dbraw/zinc/84/82/40/296848240.db2.gz SBGIEHCKZJMPNR-ZIQFBCGOSA-N 2 0 252.362 -0.204 20 0 CBADRP CC[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CC[N@@H+]1C[C@H](C)O ZINC000430696187 287136519 /nfs/dbraw/zinc/13/65/19/287136519.db2.gz IUNGYQVFXQQRRO-MJBXVCDLSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N(C)CCC[NH3+])CC1 ZINC000037050037 411623859 /nfs/dbraw/zinc/62/38/59/411623859.db2.gz GKPVGASPYMPFMW-UHFFFAOYSA-N 2 0 256.394 -0.179 20 0 CBADRP COCC[NH+](CCOC)CCC(=O)N1CC[NH2+]CC1 ZINC000032049006 411624944 /nfs/dbraw/zinc/62/49/44/411624944.db2.gz CGUQWOANRRBOAF-UHFFFAOYSA-N 2 0 273.377 -0.597 20 0 CBADRP CC[NH+](CC)CCCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000020247641 171100915 /nfs/dbraw/zinc/10/09/15/171100915.db2.gz GLIMECCEYVRARH-UHFFFAOYSA-N 2 0 278.422 -0.542 20 0 CBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662751283 413990999 /nfs/dbraw/zinc/99/09/99/413990999.db2.gz YPIOJKUIEJNFSI-VHSXEESVSA-N 2 0 279.344 -0.355 20 0 CBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662747994 413991332 /nfs/dbraw/zinc/99/13/32/413991332.db2.gz IOBFIRYGACXKQL-NSHDSACASA-N 2 0 255.362 -0.489 20 0 CBADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662748569 413991929 /nfs/dbraw/zinc/99/19/29/413991929.db2.gz BMAQREIEKFUBAI-LBPRGKRZSA-N 2 0 267.373 -0.489 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C2(C[NH3+])CCCC2)n1 ZINC000662748557 413992882 /nfs/dbraw/zinc/99/28/82/413992882.db2.gz AYWIBBWYYUUDGW-UHFFFAOYSA-N 2 0 279.344 -0.224 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662751282 413993331 /nfs/dbraw/zinc/99/33/31/413993331.db2.gz YPIOJKUIEJNFSI-UWVGGRQHSA-N 2 0 279.344 -0.355 20 0 CBADRP CC(C)[C@H](C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[C@@H](C)[NH3+] ZINC000662750118 413994326 /nfs/dbraw/zinc/99/43/26/413994326.db2.gz PWDAPROYDRSEFF-PELKAZGASA-N 2 0 281.360 -0.124 20 0 CBADRP C[NH+](C)C/C=C/C(=O)NCCCNC(=O)/C=C/C[NH+](C)C ZINC000286060067 196485006 /nfs/dbraw/zinc/48/50/06/196485006.db2.gz AMABWDRDAFHZLN-XVYDYJIPSA-N 2 0 296.415 -0.156 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1C[NH2+]CCO1 ZINC000043708712 175101921 /nfs/dbraw/zinc/10/19/21/175101921.db2.gz QDOWETVYWAKBNI-WOPDTQHZSA-N 2 0 253.346 -0.282 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[NH2+]C)CC1 ZINC000063166174 175683304 /nfs/dbraw/zinc/68/33/04/175683304.db2.gz LNAUDHLVYHIMSQ-VIFPVBQESA-N 2 0 256.350 -0.238 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377530693 298984201 /nfs/dbraw/zinc/98/42/01/298984201.db2.gz QLIBJYAZSGILOL-SRVKXCTJSA-N 2 0 254.378 -0.524 20 0 CBADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419887559 287389220 /nfs/dbraw/zinc/38/92/20/287389220.db2.gz QPPNKEBWVFSVRR-JHJVBQTASA-N 2 0 296.415 -0.156 20 0 CBADRP COC(=O)CC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171657208 335073430 /nfs/dbraw/zinc/07/34/30/335073430.db2.gz RQAASSAMLLZRJU-UHFFFAOYSA-N 2 0 285.388 -0.061 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000354694005 227073099 /nfs/dbraw/zinc/07/30/99/227073099.db2.gz PSTGQGIQYXMZBW-AAEUAGOBSA-N 2 0 294.399 -0.402 20 0 CBADRP CN(C)S(=O)(=O)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000019680360 544417520 /nfs/dbraw/zinc/41/75/20/544417520.db2.gz VLDNLFGSPOHBOP-UHFFFAOYSA-N 2 0 290.433 -0.590 20 0 CBADRP C[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000367159415 228151518 /nfs/dbraw/zinc/15/15/18/228151518.db2.gz NXAYGKMSQCYTPW-CQSZACIVSA-N 2 0 280.416 -0.071 20 0 CBADRP [NH3+]CCn1cc(C(=O)NCCC[NH+]2CCCC2)nn1 ZINC000089698509 544436626 /nfs/dbraw/zinc/43/66/26/544436626.db2.gz QHKAWLTZKVAAET-UHFFFAOYSA-N 2 0 266.349 -0.548 20 0 CBADRP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)CN1CCOCC1 ZINC000226871690 544492415 /nfs/dbraw/zinc/49/24/15/544492415.db2.gz CBQJMKPFAQIDAY-RRFJBIMHSA-N 2 0 283.416 -0.104 20 0 CBADRP C[NH+]1CCC(CCNC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000229943358 544499492 /nfs/dbraw/zinc/49/94/92/544499492.db2.gz DYHJEPZHPMHMOL-UHFFFAOYSA-N 2 0 280.376 -0.302 20 0 CBADRP C[NH+](C)C1CN(c2nccnc2N2CC([NH+](C)C)C2)C1 ZINC000167367185 544477066 /nfs/dbraw/zinc/47/70/66/544477066.db2.gz MQTCKNGBLGRLTA-UHFFFAOYSA-N 2 0 276.388 -0.023 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCOC2(C[NH2+]C2)C1 ZINC000333949261 544546894 /nfs/dbraw/zinc/54/68/94/544546894.db2.gz XCKFCNJJALXWCX-QWHCGFSZSA-N 2 0 294.399 -0.003 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000236872060 544506649 /nfs/dbraw/zinc/50/66/49/544506649.db2.gz ZWTNALVODLJENX-CYBMUJFWSA-N 2 0 268.405 -0.118 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC(C[NH3+])CC2)CC1=O ZINC000237159789 544508092 /nfs/dbraw/zinc/50/80/92/544508092.db2.gz SIPCVNZVZLWBKH-ZDUSSCGKSA-N 2 0 296.415 -0.406 20 0 CBADRP C[N@@H+]1CC[C@@]2(C1)CCCN(CC(=O)N1CCNC1=O)C2 ZINC000660653745 419419929 /nfs/dbraw/zinc/41/99/29/419419929.db2.gz VPNNATIEAWBWQW-CQSZACIVSA-N 2 0 280.372 -0.044 20 0 CBADRP CC(C)C[C@H](CNC(=O)CN1CC[NH2+]CC1)[NH+](C)C ZINC000040831379 419417871 /nfs/dbraw/zinc/41/78/71/419417871.db2.gz NXLDDOPRGSGFKN-CYBMUJFWSA-N 2 0 270.421 -0.016 20 0 CBADRP Cn1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1=O ZINC000103210873 419480447 /nfs/dbraw/zinc/48/04/47/419480447.db2.gz HFEBBCRLKNYCOT-UHFFFAOYSA-N 2 0 294.399 -0.049 20 0 CBADRP Nc1nc(NCC[N@@H+]2CC[C@H](O)C2)c2c([nH+]1)CCCC2 ZINC000624778904 419429929 /nfs/dbraw/zinc/42/99/29/419429929.db2.gz MKWOLMHPROBBSJ-JTQLQIEISA-N 2 0 277.372 -0.162 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)C(C)(C)[NH3+])CC1 ZINC000082257255 419469853 /nfs/dbraw/zinc/46/98/53/419469853.db2.gz CEJNAKDZGAVYNH-UHFFFAOYSA-N 2 0 256.394 -0.133 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000638088762 419526181 /nfs/dbraw/zinc/52/61/81/419526181.db2.gz JPYHTXWHOWFQIH-SMDDNHRTSA-N 2 0 295.387 0.150 20 0 CBADRP C[N@H+](C[C@@H](O)CN1CCC([NH+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000662150681 419549427 /nfs/dbraw/zinc/54/94/27/419549427.db2.gz ACHBBNZUTMXBBI-JKSUJKDBSA-N 2 0 297.443 -0.028 20 0 CBADRP OCC[N@H+](CCN1CCOCC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662261408 419568440 /nfs/dbraw/zinc/56/84/40/419568440.db2.gz XKNLQQRHBKFCHQ-CQSZACIVSA-N 2 0 299.415 -0.866 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000389758299 544577136 /nfs/dbraw/zinc/57/71/36/544577136.db2.gz SAJSAWKQLXEOGF-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(CC[C@H]1CC[NH2+]C1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394377591 544578836 /nfs/dbraw/zinc/57/88/36/544578836.db2.gz DMIDEXCTFSWMSD-UONOGXRCSA-N 2 0 280.416 -0.118 20 0 CBADRP CC[N@@H+]1CCN(C[C@@H](O)C[NH+](C)CCOC)C[C@H]1C ZINC000388954265 544577355 /nfs/dbraw/zinc/57/73/55/544577355.db2.gz ZRUZEEYWCJRVIV-KGLIPLIRSA-N 2 0 273.421 -0.049 20 0 CBADRP CN1CCC[C@H]([N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000662245196 419559796 /nfs/dbraw/zinc/55/97/96/419559796.db2.gz RZZIMJLYIOXLTG-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP O=C1NCCN1[C@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253716 419560671 /nfs/dbraw/zinc/56/06/71/419560671.db2.gz JZTTVTJLKAPNFK-QWHCGFSZSA-N 2 0 294.399 -0.003 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662247728 419560837 /nfs/dbraw/zinc/56/08/37/419560837.db2.gz ZHWUIGYHLUBYSM-ZDUSSCGKSA-N 3 0 268.405 -0.656 20 0 CBADRP NC(=O)[C@H]1CCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249489 419561300 /nfs/dbraw/zinc/56/13/00/419561300.db2.gz VNTYVWRICIJQHY-GHMZBOCLSA-N 2 0 253.346 -0.153 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000389564089 544577606 /nfs/dbraw/zinc/57/76/06/544577606.db2.gz CTOYOUOQVRBCIB-SNVBAGLBSA-N 2 0 266.349 -0.549 20 0 CBADRP Cn1ccnc1[C@@H]1C[NH2+]CCN1C[C@H]1C[NH2+]CCO1 ZINC000662273277 419565420 /nfs/dbraw/zinc/56/54/20/419565420.db2.gz NHSJWIPJVZJCRO-NEPJUHHUSA-N 2 0 265.361 -0.645 20 0 CBADRP CCOCC[NH+]1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662261211 419565529 /nfs/dbraw/zinc/56/55/29/419565529.db2.gz UWWIKJRFQHPPJE-CYBMUJFWSA-N 2 0 257.378 -0.371 20 0 CBADRP CNC(=O)[C@H](C)C[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662259332 419565940 /nfs/dbraw/zinc/56/59/40/419565940.db2.gz VDOCUWHQXKEXFG-GHMZBOCLSA-N 2 0 255.362 -0.179 20 0 CBADRP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394377593 544578231 /nfs/dbraw/zinc/57/82/31/544578231.db2.gz DMIDEXCTFSWMSD-ZIAGYGMSSA-N 2 0 280.416 -0.118 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)CC(=O)N2CC[NH2+]CC2)CC[N@@H+]1C ZINC000647689054 419634855 /nfs/dbraw/zinc/63/48/55/419634855.db2.gz OTWIWRRLRQUYLW-VXGBXAGGSA-N 2 0 282.388 -0.783 20 0 CBADRP [NH3+]CCn1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)nn1 ZINC000662532765 419635154 /nfs/dbraw/zinc/63/51/54/419635154.db2.gz FUKHUSKBERJRNJ-UHFFFAOYSA-N 2 0 292.387 -0.017 20 0 CBADRP CC(C)([NH3+])CCC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000647688961 419635454 /nfs/dbraw/zinc/63/54/54/419635454.db2.gz FONWDRQRBMRYME-UHFFFAOYSA-N 2 0 256.350 -0.948 20 0 CBADRP [NH3+][C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)C1CC1 ZINC000662550102 419637033 /nfs/dbraw/zinc/63/70/33/419637033.db2.gz AKKZWPLUSFHZRD-KOLCDFICSA-N 2 0 263.345 -0.046 20 0 CBADRP CCC[NH2+]CCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662549169 419638594 /nfs/dbraw/zinc/63/85/94/419638594.db2.gz MBAJCBFXEDYMCV-UHFFFAOYSA-N 2 0 280.376 -0.068 20 0 CBADRP [NH3+]CCn1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)nn1 ZINC000662546692 419638629 /nfs/dbraw/zinc/63/86/29/419638629.db2.gz ZHVZNMYKRNNLDE-UHFFFAOYSA-N 2 0 292.387 -0.159 20 0 CBADRP C[C@H]1CCCN(C(=O)CNC2(CO)CC[NH2+]CC2)C1 ZINC000662286009 419573001 /nfs/dbraw/zinc/57/30/01/419573001.db2.gz FXMHVDMXIQVBBT-LBPRGKRZSA-N 2 0 269.389 -0.051 20 0 CBADRP CCCCCNC(=O)CNC1(CO)CC[NH2+]CC1 ZINC000662285985 419573184 /nfs/dbraw/zinc/57/31/84/419573184.db2.gz DQFYEMCMCFONNI-UHFFFAOYSA-N 2 0 257.378 -0.003 20 0 CBADRP COC[C@@H](CN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)OC ZINC000662282677 419573906 /nfs/dbraw/zinc/57/39/06/419573906.db2.gz JBJMJPBMXKIDMY-FRRDWIJNSA-N 2 0 268.361 -0.192 20 0 CBADRP C[NH+]1CCN(CCNc2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000645105234 419575327 /nfs/dbraw/zinc/57/53/27/419575327.db2.gz IAFCYWVOYISXOX-UHFFFAOYSA-N 2 0 290.415 0.019 20 0 CBADRP C[NH+]1CCC(NC(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000237108352 419575751 /nfs/dbraw/zinc/57/57/51/419575751.db2.gz UUBBOIHGSSPLKS-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394390376 544580889 /nfs/dbraw/zinc/58/08/89/544580889.db2.gz XMXYEBVEQVLIPX-AVGNSLFASA-N 2 0 266.389 -0.510 20 0 CBADRP C[C@]1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CCC[NH2+]C1 ZINC000394381767 544580934 /nfs/dbraw/zinc/58/09/34/544580934.db2.gz SWLUYRFYIOUCHI-HIFRSBDPSA-N 2 0 280.416 -0.118 20 0 CBADRP [NH3+]CCN(CCCC1CC[NH2+]CC1)C[C@@H](O)CO ZINC000662287457 419577254 /nfs/dbraw/zinc/57/72/54/419577254.db2.gz AIGSVFWMZPMGDB-CYBMUJFWSA-N 2 0 259.394 -0.620 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CC[NH2+]C1 ZINC000394396596 544581037 /nfs/dbraw/zinc/58/10/37/544581037.db2.gz BPTBZFSFQHZWFA-DZGCQCFKSA-N 2 0 296.415 -0.881 20 0 CBADRP C[C@@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000237585613 419579956 /nfs/dbraw/zinc/57/99/56/419579956.db2.gz ZPEWPAXGGYTTJB-ZFWWWQNUSA-N 2 0 282.432 -0.014 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394384396 544581575 /nfs/dbraw/zinc/58/15/75/544581575.db2.gz JCWJRBQURFFMLA-OLZOCXBDSA-N 2 0 266.389 -0.365 20 0 CBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000662317746 419583659 /nfs/dbraw/zinc/58/36/59/419583659.db2.gz RPCPONRKGOQLBL-JSGCOSHPSA-N 2 0 269.389 -0.099 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@H]1CCC[NH2+]1 ZINC000394382533 544582044 /nfs/dbraw/zinc/58/20/44/544582044.db2.gz RYIGJTTXXFRJBD-NWDGAFQWSA-N 2 0 252.362 -0.756 20 0 CBADRP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCN1S(C)(=O)=O ZINC000662310269 419586185 /nfs/dbraw/zinc/58/61/85/419586185.db2.gz JBTGKMUVADGEMK-VXGBXAGGSA-N 2 0 275.418 -0.048 20 0 CBADRP [NH3+]C1(CC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CCC1 ZINC000394386888 544582205 /nfs/dbraw/zinc/58/22/05/544582205.db2.gz BHEWQNFAAIERFY-GFCCVEGCSA-N 2 0 266.389 -0.236 20 0 CBADRP C[C@]12COC[C@H]1C[N@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000662310731 419587402 /nfs/dbraw/zinc/58/74/02/419587402.db2.gz MQYKCAXPDVOWBI-OCCSQVGLSA-N 2 0 267.373 -0.223 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)c1cccc2c1CC[NH2+]C2 ZINC000662399718 419594840 /nfs/dbraw/zinc/59/48/40/419594840.db2.gz AZGDGHJEWJJIJZ-UHFFFAOYSA-N 2 0 288.395 -0.033 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CCO[C@@H]1C[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000662403600 419595771 /nfs/dbraw/zinc/59/57/71/419595771.db2.gz NGQIJVHJNOLWLZ-IRCOFANPSA-N 2 0 255.362 -0.146 20 0 CBADRP O=C(CNC(=O)c1cccc2c1C[NH2+]C2)N1CC[NH2+]CC1 ZINC000662402139 419595961 /nfs/dbraw/zinc/59/59/61/419595961.db2.gz XXMSMCSAVNQPRD-UHFFFAOYSA-N 2 0 288.351 -0.549 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662404301 419596461 /nfs/dbraw/zinc/59/64/61/419596461.db2.gz NOATWHWEKXWYDK-GMTAPVOTSA-N 2 0 268.361 -0.963 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000250465788 419596457 /nfs/dbraw/zinc/59/64/57/419596457.db2.gz NFZRQLVUQJYUTN-KGYLQXTDSA-N 2 0 267.373 -0.036 20 0 CBADRP O=C1CCCN1C[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000647517591 419596725 /nfs/dbraw/zinc/59/67/25/419596725.db2.gz ZDDZHXTVRGEKEB-OLZOCXBDSA-N 2 0 285.388 -0.984 20 0 CBADRP C[N@H+](C[C@H](O)CNC[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000647517311 419598377 /nfs/dbraw/zinc/59/83/77/419598377.db2.gz DHVOFBCQXBHMBW-ZIAGYGMSSA-N 2 0 271.405 -0.512 20 0 CBADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262107330 419599906 /nfs/dbraw/zinc/59/99/06/419599906.db2.gz JWUPILCIDSPTCO-CQSZACIVSA-N 3 0 252.406 -0.035 20 0 CBADRP CC[NH2+]CCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662409716 419600082 /nfs/dbraw/zinc/60/00/82/419600082.db2.gz PNJZONISHMOCTA-VIFPVBQESA-N 2 0 251.334 -0.174 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662411324 419600301 /nfs/dbraw/zinc/60/03/01/419600301.db2.gz ANTXPCKEMZUKSS-GFCCVEGCSA-N 2 0 268.405 -0.262 20 0 CBADRP O=C(N1CCC([NH2+]CC2CC2)CC1)C1(O)C[NH2+]C1 ZINC000662422987 419603314 /nfs/dbraw/zinc/60/33/14/419603314.db2.gz SSNNOXMBELRELJ-UHFFFAOYSA-N 2 0 253.346 -0.689 20 0 CBADRP [NH3+]CCN(Cc1ccccc1)C(=O)c1cn(CC[NH3+])nn1 ZINC000662552443 419640181 /nfs/dbraw/zinc/64/01/81/419640181.db2.gz JXIQLKLYHUPDJK-UHFFFAOYSA-N 2 0 288.355 -0.162 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](CN2CC[NH2+]C[C@H]2C(F)F)C1 ZINC000647541870 419607208 /nfs/dbraw/zinc/60/72/08/419607208.db2.gz ZNVIYZMXYUGNRP-MNOVXSKESA-N 2 0 290.358 -0.277 20 0 CBADRP C(CN1CC[NH2+]CC1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647547044 419607369 /nfs/dbraw/zinc/60/73/69/419607369.db2.gz LXSKWNUVCPFIKK-BFHYXJOUSA-N 3 0 252.406 -0.131 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000662437968 419607407 /nfs/dbraw/zinc/60/74/07/419607407.db2.gz KSSBVXFDNPJFAC-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000662479772 419617152 /nfs/dbraw/zinc/61/71/52/419617152.db2.gz MRWQSJFHDUOSFA-CHWSQXEVSA-N 2 0 270.421 -0.016 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000662479775 419617563 /nfs/dbraw/zinc/61/75/63/419617563.db2.gz MRWQSJFHDUOSFA-STQMWFEESA-N 2 0 270.421 -0.016 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000647594966 419619898 /nfs/dbraw/zinc/61/98/98/419619898.db2.gz CEGVUJWUNCKBDS-CYDGBPFRSA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000647595162 419620537 /nfs/dbraw/zinc/62/05/37/419620537.db2.gz QXFWTSHKBWNOKP-GVXVVHGQSA-N 2 0 296.415 -0.171 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@@](CO)(OC)C1 ZINC000401813912 544585684 /nfs/dbraw/zinc/58/56/84/544585684.db2.gz WESZBTBGXFYXEF-QWHCGFSZSA-N 2 0 260.378 -0.228 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)COC2(C)C[NH2+]C2)C1 ZINC000647605980 419621897 /nfs/dbraw/zinc/62/18/97/419621897.db2.gz SXMWNNSGGYECRW-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000401791258 544585860 /nfs/dbraw/zinc/58/58/60/544585860.db2.gz HDLFYFMHVKCOCM-UONOGXRCSA-N 2 0 290.404 -0.601 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000662491520 419622254 /nfs/dbraw/zinc/62/22/54/419622254.db2.gz JQJQTAGBTRKIMH-KGLIPLIRSA-N 2 0 299.415 -0.081 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)O1 ZINC000662519445 419629426 /nfs/dbraw/zinc/62/94/26/419629426.db2.gz QRAPFYCMTUYUDH-NOOOWODRSA-N 2 0 253.346 -0.426 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)O1 ZINC000662519446 419629724 /nfs/dbraw/zinc/62/97/24/419629724.db2.gz QRAPFYCMTUYUDH-WISYIIOYSA-N 2 0 253.346 -0.426 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn(CC[NH3+])nn2)[C@@H](C)C[NH2+]1 ZINC000662514186 419630035 /nfs/dbraw/zinc/63/00/35/419630035.db2.gz LDKKOUPKBFUWTH-BDAKNGLRSA-N 2 0 252.322 -0.941 20 0 CBADRP C[C@H](CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000662635400 419661498 /nfs/dbraw/zinc/66/14/98/419661498.db2.gz VBRVMZQSTMIWSY-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP O=C([C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1)N1CC[NH2+]CC1 ZINC000647825638 419661739 /nfs/dbraw/zinc/66/17/39/419661739.db2.gz ZUMVUPSRDIZCNU-VXGBXAGGSA-N 2 0 280.372 -0.981 20 0 CBADRP CN1CCN(C(=O)CC[N@@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000647830266 419664756 /nfs/dbraw/zinc/66/47/56/419664756.db2.gz FCSYPAJOJPHFKT-LBPRGKRZSA-N 2 0 254.378 -0.569 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647828429 419666390 /nfs/dbraw/zinc/66/63/90/419666390.db2.gz CZDSGDZPPPCJTF-NEPJUHHUSA-N 3 0 254.378 -0.617 20 0 CBADRP CC1(CNC(=O)[C@H]2CCO[C@H]2C[NH3+])CC[NH2+]CC1 ZINC000662765011 419714281 /nfs/dbraw/zinc/71/42/81/419714281.db2.gz PZFSZFJZIPAFRC-QWRGUYRKSA-N 2 0 255.362 -0.144 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C1CC[NH2+]CC1 ZINC000662658464 419670002 /nfs/dbraw/zinc/67/00/02/419670002.db2.gz AHZPCPFVPJMYAB-UHFFFAOYSA-N 2 0 284.404 -0.536 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)C1(O)C[NH2+]C1)c1cccs1 ZINC000662661855 419672795 /nfs/dbraw/zinc/67/27/95/419672795.db2.gz KADNEMSBDIAKRK-SECBINFHSA-N 2 0 269.370 -0.199 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000662659575 419673930 /nfs/dbraw/zinc/67/39/30/419673930.db2.gz NOFLDZOHLYHSFK-LLVKDONJSA-N 2 0 272.393 -0.408 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000662660932 419674409 /nfs/dbraw/zinc/67/44/09/419674409.db2.gz ZWZPHNBFPRBTTR-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCCC[NH3+] ZINC000662659932 419675055 /nfs/dbraw/zinc/67/50/55/419675055.db2.gz QFAUZENLYCXWGL-UHFFFAOYSA-N 2 0 272.393 -0.406 20 0 CBADRP C[NH2+]CCCC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000662660882 419675286 /nfs/dbraw/zinc/67/52/86/419675286.db2.gz YVQKELFXBLMWMP-UHFFFAOYSA-N 2 0 272.393 -0.536 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662668360 419676859 /nfs/dbraw/zinc/67/68/59/419676859.db2.gz LHMSUXCGQZCYEP-NSHDSACASA-N 2 0 282.388 -0.416 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])C[C@H](C)O1 ZINC000662672416 419676927 /nfs/dbraw/zinc/67/69/27/419676927.db2.gz ZEBCOJREEPVWDV-RQJABVFESA-N 2 0 299.415 -0.034 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662673310 419677525 /nfs/dbraw/zinc/67/75/25/419677525.db2.gz JNLJZVFKPMBCSM-NEPJUHHUSA-N 2 0 255.362 -0.097 20 0 CBADRP CC(C)C[NH+]1CCC(NC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662673696 419678034 /nfs/dbraw/zinc/67/80/34/419678034.db2.gz QIBZIGZQOBCSNJ-UHFFFAOYSA-N 2 0 255.362 -0.443 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000662676473 419678919 /nfs/dbraw/zinc/67/89/19/419678919.db2.gz WXCZGHSIGMRHFQ-AKJDGMEZSA-N 2 0 253.346 -0.295 20 0 CBADRP CC1CC[NH+](CCCCNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662682568 419679978 /nfs/dbraw/zinc/67/99/78/419679978.db2.gz JVRUXKGZCIBEEQ-UHFFFAOYSA-N 2 0 269.389 -0.051 20 0 CBADRP COC[C@]1(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CCC[NH2+]1 ZINC000647876914 419680283 /nfs/dbraw/zinc/68/02/83/419680283.db2.gz CIZPWDOOPIHWOD-MDZLAQPJSA-N 2 0 271.361 -0.670 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662682322 419680367 /nfs/dbraw/zinc/68/03/67/419680367.db2.gz RJZRLRGGGHAZEY-IJLUTSLNSA-N 2 0 255.362 -0.192 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC000662682323 419680699 /nfs/dbraw/zinc/68/06/99/419680699.db2.gz RJZRLRGGGHAZEY-UTUOFQBUSA-N 2 0 255.362 -0.192 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662685878 419681677 /nfs/dbraw/zinc/68/16/77/419681677.db2.gz ZYHVHEBTHDMUHS-NWDGAFQWSA-N 2 0 273.377 -0.565 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CCSC1 ZINC000662681144 419681885 /nfs/dbraw/zinc/68/18/85/419681885.db2.gz BBXJDRMWCQANMV-MDZLAQPJSA-N 2 0 287.429 -0.096 20 0 CBADRP C[C@H](CNC(=O)C1(O)C[NH2+]C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000662679987 419681988 /nfs/dbraw/zinc/68/19/88/419681988.db2.gz RBSPMDBFURRPBD-GHMZBOCLSA-N 2 0 255.362 -0.443 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CCSC1 ZINC000662681146 419682622 /nfs/dbraw/zinc/68/26/22/419682622.db2.gz BBXJDRMWCQANMV-WZRBSPASSA-N 2 0 287.429 -0.096 20 0 CBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000662683676 419682668 /nfs/dbraw/zinc/68/26/68/419682668.db2.gz QYZASMOJTJUJBA-CHWSQXEVSA-N 2 0 285.388 -0.421 20 0 CBADRP CC1(CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC[NH2+]CC1 ZINC000662765012 419714809 /nfs/dbraw/zinc/71/48/09/419714809.db2.gz PZFSZFJZIPAFRC-WDEREUQCSA-N 2 0 255.362 -0.144 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CC1([NH3+])CC1 ZINC000662771873 419714865 /nfs/dbraw/zinc/71/48/65/419714865.db2.gz AVTCDUYYBDDYEO-NSHDSACASA-N 2 0 282.388 -0.286 20 0 CBADRP O=C(CC[N@@H+](CCCO)C1CC1)N1CC[NH2+]CC1 ZINC000647884993 419683830 /nfs/dbraw/zinc/68/38/30/419683830.db2.gz VIGVKUHIBPHDSL-UHFFFAOYSA-N 2 0 255.362 -0.345 20 0 CBADRP C[C@H](CNC(=O)C1(O)C[NH2+]C1)C[NH+]1CCCCC1 ZINC000662689816 419686512 /nfs/dbraw/zinc/68/65/12/419686512.db2.gz ITYSZYIMWRWQBZ-LLVKDONJSA-N 2 0 255.362 -0.441 20 0 CBADRP O=C(CC[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC000647891530 419687268 /nfs/dbraw/zinc/68/72/68/419687268.db2.gz MIAZKCOJKWLESF-ZIAGYGMSSA-N 2 0 297.399 -0.312 20 0 CBADRP CCN1C(=O)[C@H]2CN(C[C@H]3CC[NH2+]C3)CCN2C1=O ZINC000647891467 419689051 /nfs/dbraw/zinc/68/90/51/419689051.db2.gz HTJFOSZVSRCEQH-WDEREUQCSA-N 2 0 266.345 -0.436 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)nn1 ZINC000662698049 419691199 /nfs/dbraw/zinc/69/11/99/419691199.db2.gz NJOIAZDFFBHYDL-LBPRGKRZSA-N 2 0 292.387 -0.063 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662699510 419691263 /nfs/dbraw/zinc/69/12/63/419691263.db2.gz BOPSGZGWUWUPPN-IJLUTSLNSA-N 2 0 255.362 -0.192 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647941198 419692103 /nfs/dbraw/zinc/69/21/03/419692103.db2.gz DOYXXYDKLATVII-CHWSQXEVSA-N 3 0 268.405 -0.085 20 0 CBADRP C[C@H]1[NH2+]CCN(CCC(=O)N2CC[NH2+]CC2)[C@@H]1C ZINC000647941228 419694097 /nfs/dbraw/zinc/69/40/97/419694097.db2.gz MHNUHRKPFVVSHQ-VXGBXAGGSA-N 2 0 254.378 -0.510 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000662703899 419694908 /nfs/dbraw/zinc/69/49/08/419694908.db2.gz QBQLLIAMBCNDCG-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP CS(=O)(=O)NCC1CC[NH+](CCOCC[NH3+])CC1 ZINC000647989081 419703184 /nfs/dbraw/zinc/70/31/84/419703184.db2.gz GKXAABMRTUXDSG-UHFFFAOYSA-N 2 0 279.406 -0.777 20 0 CBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C1(O)C[NH2+]C1 ZINC000662735087 419707214 /nfs/dbraw/zinc/70/72/14/419707214.db2.gz LFYZTLLKLHYCFM-NSHDSACASA-N 2 0 255.362 -0.299 20 0 CBADRP CC[N@H+](CCNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)C1CC1 ZINC000647995701 419708643 /nfs/dbraw/zinc/70/86/43/419708643.db2.gz WFNREUBWWHGYMA-STQMWFEESA-N 2 0 284.404 -0.213 20 0 CBADRP C[N@H+](CC[C@H]1CC[NH2+]C1)CCN1CCCS1(=O)=O ZINC000647995427 419709579 /nfs/dbraw/zinc/70/95/79/419709579.db2.gz XFDLDRIWTUYYEW-GFCCVEGCSA-N 2 0 275.418 -0.047 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC000662755949 419711152 /nfs/dbraw/zinc/71/11/52/419711152.db2.gz DNLJJQBAPRCJFG-AVGNSLFASA-N 2 0 268.405 -0.277 20 0 CBADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)C1(O)C[NH2+]C1 ZINC000662758941 419711462 /nfs/dbraw/zinc/71/14/62/419711462.db2.gz VJXYASUARBDNNV-UHFFFAOYSA-N 2 0 290.367 -0.504 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662763517 419711969 /nfs/dbraw/zinc/71/19/69/419711969.db2.gz DPDVBLAAGQRTFC-SNVBAGLBSA-N 2 0 283.294 -0.119 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662758100 419712158 /nfs/dbraw/zinc/71/21/58/419712158.db2.gz RLZOGIIHHFMRCT-QWRGUYRKSA-N 2 0 280.376 -0.083 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000662571697 419645231 /nfs/dbraw/zinc/64/52/31/419645231.db2.gz VLSMQZWVHSGGKC-OLZOCXBDSA-N 2 0 299.415 -0.047 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]([NH3+])COC(C)C)C[C@H]1C[NH3+] ZINC000662582426 419648173 /nfs/dbraw/zinc/64/81/73/419648173.db2.gz PMBQNSZBZZLNDV-GRYCIOLGSA-N 2 0 273.377 -0.439 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000647770074 419650568 /nfs/dbraw/zinc/65/05/68/419650568.db2.gz VXAGOCSUSNHNOE-OAHLLOKOSA-N 2 0 290.411 -0.080 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000647769987 419651650 /nfs/dbraw/zinc/65/16/50/419651650.db2.gz SIIUZMBARGTLFN-CHWSQXEVSA-N 2 0 268.405 -0.133 20 0 CBADRP CCC[C@@](C)([NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647769613 419651745 /nfs/dbraw/zinc/65/17/45/419651745.db2.gz BLAPFJWGSUIBPV-CYBMUJFWSA-N 2 0 256.394 -0.133 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000647769728 419651926 /nfs/dbraw/zinc/65/19/26/419651926.db2.gz HAOFDNWSMAWYLG-CYBMUJFWSA-N 2 0 254.378 -0.650 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662621934 419653170 /nfs/dbraw/zinc/65/31/70/419653170.db2.gz MFQDOTVYAZMFML-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CNC(=O)C[NH3+])C1 ZINC000662622856 419653354 /nfs/dbraw/zinc/65/33/54/419653354.db2.gz VAYBBJACKGXEKJ-VIFPVBQESA-N 2 0 256.350 -0.950 20 0 CBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647777660 419653883 /nfs/dbraw/zinc/65/38/83/419653883.db2.gz VOFGVKICZLRXTM-CHWSQXEVSA-N 2 0 268.405 -0.262 20 0 CBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647777662 419653965 /nfs/dbraw/zinc/65/39/65/419653965.db2.gz VOFGVKICZLRXTM-QWHCGFSZSA-N 2 0 268.405 -0.262 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]([NH3+])CC(F)F ZINC000647777285 419654530 /nfs/dbraw/zinc/65/45/30/419654530.db2.gz IPNAUOADGNLEIN-VIFPVBQESA-N 2 0 264.320 -0.668 20 0 CBADRP CC(C)NC(=O)CN(C)CC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000331058294 419654564 /nfs/dbraw/zinc/65/45/64/419654564.db2.gz RHBGRZPIXIWMHQ-UHFFFAOYSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647777308 419655194 /nfs/dbraw/zinc/65/51/94/419655194.db2.gz KBJRXQHFOANZPD-RYUDHWBXSA-N 2 0 254.378 -0.652 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CCO1 ZINC000662765922 419713925 /nfs/dbraw/zinc/71/39/25/419713925.db2.gz GFOPKFDNPDEYKC-WCBMZHEXSA-N 2 0 281.278 -0.286 20 0 CBADRP C[C@@](C[NH3+])(NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)C1CC1 ZINC000647807199 419656879 /nfs/dbraw/zinc/65/68/79/419656879.db2.gz RCUQXBKVLJBDFW-GWCFXTLKSA-N 2 0 278.360 -0.330 20 0 CBADRP C[C@](C[NH3+])(NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)C1CC1 ZINC000647807202 419658375 /nfs/dbraw/zinc/65/83/75/419658375.db2.gz RCUQXBKVLJBDFW-ZWNOBZJWSA-N 2 0 278.360 -0.330 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCN(C)CCC[NH+](C)C ZINC000662632681 419659513 /nfs/dbraw/zinc/65/95/13/419659513.db2.gz SQYVUVDOSVAVSK-STQMWFEESA-N 2 0 270.421 -0.016 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)NCCN(C)CCC[NH+](C)C ZINC000662633241 419659615 /nfs/dbraw/zinc/65/96/15/419659615.db2.gz JMIMUUVEMGCEPE-GFCCVEGCSA-N 2 0 258.410 -0.158 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000662633225 419660200 /nfs/dbraw/zinc/66/02/00/419660200.db2.gz YABKFYNIEJLBMI-CYBMUJFWSA-N 2 0 270.421 -0.014 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000662629935 419660503 /nfs/dbraw/zinc/66/05/03/419660503.db2.gz BJMQZRPTXJTJCL-ZFWWWQNUSA-N 2 0 282.432 -0.014 20 0 CBADRP [NH3+][C@H]1CCc2ncc(NC(=O)[C@@H]3C[NH2+]CCO3)cc2C1 ZINC000648106965 419729808 /nfs/dbraw/zinc/72/98/08/419729808.db2.gz KZIITEMRFWEXCQ-GWCFXTLKSA-N 2 0 276.340 -0.176 20 0 CBADRP [NH3+]CCOCC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000648106598 419732773 /nfs/dbraw/zinc/73/27/73/419732773.db2.gz DZJGXKFXWDJQDF-UHFFFAOYSA-N 2 0 250.302 -0.359 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C[C@@]1(C)C[NH3+] ZINC000662813611 419736428 /nfs/dbraw/zinc/73/64/28/419736428.db2.gz AXEMKBNCWIWQQB-PRULPYPASA-N 2 0 255.362 -0.207 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000662818052 419736989 /nfs/dbraw/zinc/73/69/89/419736989.db2.gz NTZUWYISUILNOD-SNVBAGLBSA-N 2 0 255.362 -0.313 20 0 CBADRP O=C(Nc1nc(C2CC[NH2+]CC2)cs1)C1(O)C[NH2+]C1 ZINC000662813962 419737850 /nfs/dbraw/zinc/73/78/50/419737850.db2.gz GJKXKXVTVQXFKG-UHFFFAOYSA-N 2 0 282.369 -0.117 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3C[C@H]([NH3+])C3)C[C@H]2[NH3+])cn1 ZINC000662819795 419738530 /nfs/dbraw/zinc/73/85/30/419738530.db2.gz OKFVTTCMHLTLMX-PDEGPIFNSA-N 2 0 263.345 -0.590 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000648120131 419739212 /nfs/dbraw/zinc/73/92/12/419739212.db2.gz OIGVWRCOZJEKCL-PWSUYJOCSA-N 2 0 270.377 -0.656 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000648120130 419739259 /nfs/dbraw/zinc/73/92/59/419739259.db2.gz OIGVWRCOZJEKCL-JQWIXIFHSA-N 2 0 270.377 -0.656 20 0 CBADRP [NH3+][C@@H]1CCCCN(CC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1=O ZINC000648123612 419739356 /nfs/dbraw/zinc/73/93/56/419739356.db2.gz BOWMUZWRMMQJRL-UPJWGTAASA-N 2 0 294.399 -0.463 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000662943884 419786508 /nfs/dbraw/zinc/78/65/08/419786508.db2.gz CZQKURWPAZNVQD-RYUDHWBXSA-N 2 0 282.388 -0.654 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000648121956 419740591 /nfs/dbraw/zinc/74/05/91/419740591.db2.gz CIXUFSNGQFFDRC-UMNHJUIQSA-N 2 0 270.377 -0.528 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])C[C@H]1C[NH3+] ZINC000662830855 419741085 /nfs/dbraw/zinc/74/10/85/419741085.db2.gz WTHJWUAOZYYJIE-WRWGMCAJSA-N 2 0 271.361 -0.828 20 0 CBADRP CC[C@H]1CN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC[C@H]1[NH3+] ZINC000648126356 419741673 /nfs/dbraw/zinc/74/16/73/419741673.db2.gz HDMOSJRHPCLDFR-LOWVWBTDSA-N 2 0 284.404 -0.328 20 0 CBADRP CC[C@@H]1CN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC[C@H]1[NH3+] ZINC000648126358 419742210 /nfs/dbraw/zinc/74/22/10/419742210.db2.gz HDMOSJRHPCLDFR-WZRBSPASSA-N 2 0 284.404 -0.328 20 0 CBADRP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)C1(O)C[NH2+]C1 ZINC000662835055 419742719 /nfs/dbraw/zinc/74/27/19/419742719.db2.gz KIEHYOFOYSQJOI-WDEREUQCSA-N 2 0 253.346 -0.546 20 0 CBADRP CC[C@H]1CN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC[C@@H]1[NH3+] ZINC000648126355 419743546 /nfs/dbraw/zinc/74/35/46/419743546.db2.gz HDMOSJRHPCLDFR-GVXVVHGQSA-N 2 0 284.404 -0.328 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000662845807 419743819 /nfs/dbraw/zinc/74/38/19/419743819.db2.gz WXTHOIBADGSZGY-NSHDSACASA-N 2 0 284.404 -0.408 20 0 CBADRP COCC1(CNC(=O)COC2(C)C[NH2+]C2)CC[NH2+]CC1 ZINC000648133009 419745233 /nfs/dbraw/zinc/74/52/33/419745233.db2.gz PHBUBYOKICRKNA-UHFFFAOYSA-N 2 0 285.388 -0.503 20 0 CBADRP O=C(N1CC[C@@H]2OCC[NH2+][C@H]2C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000648135570 419749451 /nfs/dbraw/zinc/74/94/51/419749451.db2.gz WVWPTLMAOHUXIY-UKTARXLSSA-N 2 0 279.384 -0.035 20 0 CBADRP O=C(N1CC[C@H]2OCC[NH2+][C@H]2C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000648135568 419750089 /nfs/dbraw/zinc/75/00/89/419750089.db2.gz WVWPTLMAOHUXIY-QVHKTLOISA-N 2 0 279.384 -0.035 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662857986 419751667 /nfs/dbraw/zinc/75/16/67/419751667.db2.gz SCIDWYKFCRNRJQ-STQMWFEESA-N 2 0 286.420 -0.650 20 0 CBADRP CC1(OCC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C[NH2+]C1 ZINC000648142860 419755802 /nfs/dbraw/zinc/75/58/02/419755802.db2.gz BIDVYKBRPPXXQN-TXEJJXNPSA-N 2 0 267.373 -0.177 20 0 CBADRP [NH3+][C@H]1CCCCN(CC(=O)NCC2([NH3+])CCCC2)C1=O ZINC000662863490 419757115 /nfs/dbraw/zinc/75/71/15/419757115.db2.gz RLBGOOXMFOHGOI-NSHDSACASA-N 2 0 282.388 -0.286 20 0 CBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000343315768 419759843 /nfs/dbraw/zinc/75/98/43/419759843.db2.gz YXBBUZMZNSAOAG-LBPRGKRZSA-N 2 0 296.415 -0.251 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)COC1(C)C[NH2+]C1 ZINC000648152598 419760460 /nfs/dbraw/zinc/76/04/60/419760460.db2.gz KPVVPISFPNHCNK-UHFFFAOYSA-N 2 0 273.377 -0.599 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000648176434 419765178 /nfs/dbraw/zinc/76/51/78/419765178.db2.gz RFZBLBUTPBGBPN-AGIUHOORSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]CC1(CC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000662906410 419768240 /nfs/dbraw/zinc/76/82/40/419768240.db2.gz KAQZVCMSWJSLOC-GFCCVEGCSA-N 2 0 266.389 -0.379 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000662909263 419768783 /nfs/dbraw/zinc/76/87/83/419768783.db2.gz YZPDZZPNSGDLQO-MJBXVCDLSA-N 2 0 280.416 -0.119 20 0 CBADRP C[C@H]1CCN(C(=O)COC2(C)C[NH2+]C2)C[C@H]1C[NH3+] ZINC000648177705 419768923 /nfs/dbraw/zinc/76/89/23/419768923.db2.gz OXEIJUPNEABWIQ-WDEREUQCSA-N 2 0 255.362 -0.192 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[N@@H+]1C ZINC000648177699 419769322 /nfs/dbraw/zinc/76/93/22/419769322.db2.gz OSGTXTGZENKLMB-GRYCIOLGSA-N 2 0 255.362 -0.097 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000648190144 419769562 /nfs/dbraw/zinc/76/95/62/419769562.db2.gz BUNDIYUBPFUUSE-DCAQKATOSA-N 2 0 270.377 -0.513 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648185937 419770766 /nfs/dbraw/zinc/77/07/66/419770766.db2.gz JNZJKQLZUHBHSQ-VXGBXAGGSA-N 2 0 294.399 -0.355 20 0 CBADRP C[C@@H]1CCN(C(=O)COC2(C)C[NH2+]C2)C[C@@H]1C[NH3+] ZINC000648177703 419771035 /nfs/dbraw/zinc/77/10/35/419771035.db2.gz OXEIJUPNEABWIQ-MNOVXSKESA-N 2 0 255.362 -0.192 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662913644 419773054 /nfs/dbraw/zinc/77/30/54/419773054.db2.gz RXGHKTAJYRMPJG-QJPTWQEYSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[NH+]1CCN(CC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000662923722 419776814 /nfs/dbraw/zinc/77/68/14/419776814.db2.gz YKPJQHHAJGKQHD-UHFFFAOYSA-N 2 0 266.389 -0.508 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000662924952 419778105 /nfs/dbraw/zinc/77/81/05/419778105.db2.gz BUTYNEGRKPJJPA-ZDUSSCGKSA-N 2 0 296.415 -0.120 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000662934371 419780646 /nfs/dbraw/zinc/78/06/46/419780646.db2.gz MDUFSHCZOTUREM-CYBMUJFWSA-N 2 0 296.415 -0.262 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCC[NH3+])[C@@H](C)C1 ZINC000662937015 419783835 /nfs/dbraw/zinc/78/38/35/419783835.db2.gz DPSCKWQXICWPMY-STQMWFEESA-N 2 0 298.431 -0.018 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000662774888 419718390 /nfs/dbraw/zinc/71/83/90/419718390.db2.gz TXDTVTFFLPGQFA-GUBZILKMSA-N 2 0 294.321 -0.324 20 0 CBADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000662778818 419719314 /nfs/dbraw/zinc/71/93/14/419719314.db2.gz GQGBNHXOZOEDLW-STQMWFEESA-N 2 0 280.416 -0.119 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000662782958 419719649 /nfs/dbraw/zinc/71/96/49/419719649.db2.gz BVGANMWOZBKQRT-GHMZBOCLSA-N 2 0 255.362 -0.131 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000662779289 419719667 /nfs/dbraw/zinc/71/96/67/419719667.db2.gz JFEAOOGMEPDNGX-IJLUTSLNSA-N 2 0 252.362 -0.770 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000662780212 419720083 /nfs/dbraw/zinc/72/00/83/419720083.db2.gz OOSFZOXLNRJNHD-SRVKXCTJSA-N 2 0 252.362 -0.770 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000662780208 419721369 /nfs/dbraw/zinc/72/13/69/419721369.db2.gz OOSFZOXLNRJNHD-IJLUTSLNSA-N 2 0 252.362 -0.770 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@@H]1CCO[C@H]1C[NH3+])C(F)(F)F ZINC000662783905 419722320 /nfs/dbraw/zinc/72/23/20/419722320.db2.gz PLUIYRJIEXQVLO-CSMHCCOUSA-N 2 0 269.267 -0.254 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@@H]1CCO[C@@H]1C[NH3+])C(F)(F)F ZINC000662783925 419723642 /nfs/dbraw/zinc/72/36/42/419723642.db2.gz PLUIYRJIEXQVLO-PRJMDXOYSA-N 2 0 269.267 -0.254 20 0 CBADRP COCC[NH2+]CC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662973648 419801638 /nfs/dbraw/zinc/80/16/38/419801638.db2.gz SZNVQTQWORLRTC-CYBMUJFWSA-N 2 0 287.404 -0.208 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CCO1 ZINC000662973576 419802231 /nfs/dbraw/zinc/80/22/31/419802231.db2.gz RPWTZOZAWQOBHV-ZIAGYGMSSA-N 2 0 299.415 -0.066 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000662972818 419802392 /nfs/dbraw/zinc/80/23/92/419802392.db2.gz MLBRQDMEGABRHR-MGPQQGTHSA-N 2 0 299.415 -0.068 20 0 CBADRP C[C@@H]1CCN(C(=O)C(=O)N(C)CC[NH+](C)C)[C@H](C[NH3+])C1 ZINC000662986217 419803687 /nfs/dbraw/zinc/80/36/87/419803687.db2.gz BJCNPVJRYMZYFK-NEPJUHHUSA-N 2 0 284.404 -0.408 20 0 CBADRP C[C@@H]1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)[C@H](C[NH3+])C1 ZINC000662988915 419806880 /nfs/dbraw/zinc/80/68/80/419806880.db2.gz XMEZKXNBLPYEHJ-OLZOCXBDSA-N 2 0 298.431 -0.018 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000518500078 544601256 /nfs/dbraw/zinc/60/12/56/544601256.db2.gz ZBAMPBXTQOGYRT-AVGNSLFASA-N 2 0 283.420 -0.199 20 0 CBADRP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000518497441 544601796 /nfs/dbraw/zinc/60/17/96/544601796.db2.gz XXSSUUXJIAWFLT-STQMWFEESA-N 2 0 283.420 -0.327 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(O)CC2)CC[N@@H+]1C ZINC000648923632 419820557 /nfs/dbraw/zinc/82/05/57/419820557.db2.gz LIALOAYJLMUCGJ-DGCLKSJQSA-N 2 0 269.389 -0.101 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351516518 419822832 /nfs/dbraw/zinc/82/28/32/419822832.db2.gz GFIUBMABENOZSJ-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)CCN1CC[NH2+]CC1)[NH+](C)C ZINC000649271750 419858979 /nfs/dbraw/zinc/85/89/79/419858979.db2.gz VXAOFHJJQRJQLB-ZDUSSCGKSA-N 2 0 270.421 -0.064 20 0 CBADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663218005 419829903 /nfs/dbraw/zinc/82/99/03/419829903.db2.gz VLNBAKOMUPFYQS-LLVKDONJSA-N 2 0 267.373 -0.035 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000649075643 419838041 /nfs/dbraw/zinc/83/80/41/419838041.db2.gz IBCDQBQTMBEBJP-GFCCVEGCSA-N 2 0 284.404 -0.093 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000353460134 419838215 /nfs/dbraw/zinc/83/82/15/419838215.db2.gz NWEJSSRXKUIKRF-AGIUHOORSA-N 2 0 268.405 -0.264 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494307 419841388 /nfs/dbraw/zinc/84/13/88/419841388.db2.gz NSTYDDUFQKSQAD-IPYPFGDCSA-N 2 0 280.416 -0.085 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCOC2(C[NH2+]C2)C1)[C@H](C)[NH3+] ZINC000663493019 419842560 /nfs/dbraw/zinc/84/25/60/419842560.db2.gz ZVTAHBADKKTWFK-WDEREUQCSA-N 2 0 255.362 -0.193 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662941634 419788426 /nfs/dbraw/zinc/78/84/26/419788426.db2.gz ADJLVHVQTXQTAK-UHFFFAOYSA-N 2 0 294.399 -0.511 20 0 CBADRP CC(C)(C)[C@H]([NH3+])C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662946029 419789475 /nfs/dbraw/zinc/78/94/75/419789475.db2.gz ZPHQCCNULRUTSJ-SNVBAGLBSA-N 2 0 267.333 -0.370 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC[C@H]1F ZINC000662945645 419790135 /nfs/dbraw/zinc/79/01/35/419790135.db2.gz TVAKVTVTPRHFHZ-VXGBXAGGSA-N 2 0 295.362 -0.141 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000662966087 419795554 /nfs/dbraw/zinc/79/55/54/419795554.db2.gz OVUWIXLCYOYTQW-MNOVXSKESA-N 2 0 270.377 -0.879 20 0 CBADRP CC1(OCC(=O)NCCCC[NH+]2CCOCC2)C[NH2+]C1 ZINC000649294881 419868397 /nfs/dbraw/zinc/86/83/97/419868397.db2.gz OMZJGIHJSPDERL-UHFFFAOYSA-N 2 0 285.388 -0.407 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@H]2[NH2+]CC2(C)C)n1 ZINC000649313257 419877823 /nfs/dbraw/zinc/87/78/23/419877823.db2.gz UYKRUHNYZXPRSZ-LLVKDONJSA-N 2 0 265.361 0.381 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649318837 419879494 /nfs/dbraw/zinc/87/94/94/419879494.db2.gz OBDDLIZJXNPICT-NDBYEHHHSA-N 2 0 267.373 -0.321 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)COC2(C)C[NH2+]C2)n1 ZINC000649313157 419879748 /nfs/dbraw/zinc/87/97/48/419879748.db2.gz FGAYENIUFMWIEQ-UHFFFAOYSA-N 2 0 281.360 -0.238 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000649321382 419881078 /nfs/dbraw/zinc/88/10/78/419881078.db2.gz VVIOITJJNIJPQH-MGPQQGTHSA-N 2 0 297.399 -0.578 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000649348787 419897921 /nfs/dbraw/zinc/89/79/21/419897921.db2.gz UXUNGFSHQRYPKX-ZYHUDNBSSA-N 2 0 267.373 -0.036 20 0 CBADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000649341630 419894438 /nfs/dbraw/zinc/89/44/38/419894438.db2.gz MIPGSTVYAWVDDH-DGAVXFQQSA-N 2 0 279.384 -0.083 20 0 CBADRP CC[N@@H+]1CCC[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000663776594 419861958 /nfs/dbraw/zinc/86/19/58/419861958.db2.gz SBSFKXVXBDSXTC-AGIUHOORSA-N 2 0 284.404 -0.213 20 0 CBADRP O=C(NCC[NH+]1CCCC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000649280637 419863191 /nfs/dbraw/zinc/86/31/91/419863191.db2.gz ANAYRGDRUDTANT-LBPRGKRZSA-N 2 0 292.387 -0.144 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649350497 419899406 /nfs/dbraw/zinc/89/94/06/419899406.db2.gz IXPISXRZZHILSL-UPJWGTAASA-N 2 0 266.389 -0.510 20 0 CBADRP CC[N@@H+]1C[C@H](C)[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000664384011 419902809 /nfs/dbraw/zinc/90/28/09/419902809.db2.gz AEQAPUBFFYPWHC-RNJOBUHISA-N 2 0 284.404 -0.357 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649350685 419903341 /nfs/dbraw/zinc/90/33/41/419903341.db2.gz YSKOXBMUZIYNNG-IGQOVBAYSA-N 2 0 280.416 -0.406 20 0 CBADRP COC[C@H](OC)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000668302393 544691906 /nfs/dbraw/zinc/69/19/06/544691906.db2.gz GICUQUJKGFVULG-LBPRGKRZSA-N 2 0 275.393 -0.400 20 0 CBADRP C[C@@H]1C[C@H](C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC[NH2+]1 ZINC000358698591 419911771 /nfs/dbraw/zinc/91/17/71/419911771.db2.gz UZDNNXLEWIPMNJ-UPJWGTAASA-N 2 0 296.415 -0.170 20 0 CBADRP CCN(C(=O)C(=O)NC1CC[NH+](C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000668361860 544695687 /nfs/dbraw/zinc/69/56/87/544695687.db2.gz KUTIUZGBHDDQTI-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2CCOC3(C[NH2+]C3)C2)CC1 ZINC000664725724 419913880 /nfs/dbraw/zinc/91/38/80/419913880.db2.gz UDSHDDASOWVNKS-UHFFFAOYSA-N 2 0 296.415 -0.785 20 0 CBADRP C[C@]1(C(=O)N2CCOC3(C[NH2+]C3)C2)CCC[NH2+]C1 ZINC000664727494 419914977 /nfs/dbraw/zinc/91/49/77/419914977.db2.gz KMSHHSKWNKBEBC-LBPRGKRZSA-N 2 0 253.346 -0.423 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000649374092 419907109 /nfs/dbraw/zinc/90/71/09/419907109.db2.gz QUDBHXHEWPHTCV-LBPRGKRZSA-N 2 0 255.362 -0.083 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000669402973 544747617 /nfs/dbraw/zinc/74/76/17/544747617.db2.gz CIXINTDQOLKEJE-ZIAGYGMSSA-N 2 0 295.431 -0.230 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCO1 ZINC000669491119 544750538 /nfs/dbraw/zinc/75/05/38/544750538.db2.gz MJBCDUVREGBCEK-STQMWFEESA-N 2 0 282.388 -0.160 20 0 CBADRP CN1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000669512560 544750580 /nfs/dbraw/zinc/75/05/80/544750580.db2.gz AFKIIJIWRHTUBC-WOPDTQHZSA-N 2 0 254.378 -0.395 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH2+]C2CC2)C1 ZINC000669491557 544751344 /nfs/dbraw/zinc/75/13/44/544751344.db2.gz ZXUSXOQNMWSGNT-GFCCVEGCSA-N 2 0 270.377 -0.242 20 0 CBADRP CN1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)[C@@H](C[NH3+])C1 ZINC000669491020 544751494 /nfs/dbraw/zinc/75/14/94/544751494.db2.gz IPBUOFCTNFIDHQ-KBPBESRZSA-N 2 0 295.431 -0.245 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCC[N@H+](C)C2CC2)CCO1 ZINC000669477830 544751748 /nfs/dbraw/zinc/75/17/48/544751748.db2.gz JJUHUQNKOHUPSE-PWSUYJOCSA-N 2 0 270.377 -0.162 20 0 CBADRP [NH3+]CCOCC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000669518371 544752138 /nfs/dbraw/zinc/75/21/38/544752138.db2.gz UEZWZXOUDZJXKC-UHFFFAOYSA-N 2 0 265.357 -0.008 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)CCO1 ZINC000669512835 544752292 /nfs/dbraw/zinc/75/22/92/544752292.db2.gz ZRGQXQUYUCMWTJ-NOOOWODRSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C[N@@H+]1C1CC1 ZINC000669524697 544752390 /nfs/dbraw/zinc/75/23/90/544752390.db2.gz ZIANSXUTKKJTKZ-DYEKYZERSA-N 2 0 295.431 -0.104 20 0 CBADRP CC(C)(C(=O)NCC[C@H]1CCC[NH2+]1)N1CC[NH2+]CC1 ZINC000669514349 544752899 /nfs/dbraw/zinc/75/28/99/544752899.db2.gz ICGMVTNLGGASPH-GFCCVEGCSA-N 2 0 268.405 -0.072 20 0 CBADRP C[NH+](C)CCN1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1=O ZINC000649684737 419922339 /nfs/dbraw/zinc/92/23/39/419922339.db2.gz ADHINJTTWSXEGZ-CQSZACIVSA-N 2 0 298.431 -0.853 20 0 CBADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000671817255 544834189 /nfs/dbraw/zinc/83/41/89/544834189.db2.gz KLTNCGDFPLTIQS-DGCLKSJQSA-N 2 0 294.399 -0.498 20 0 CBADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000671817257 544834248 /nfs/dbraw/zinc/83/42/48/544834248.db2.gz KLTNCGDFPLTIQS-WCQYABFASA-N 2 0 294.399 -0.498 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000671820985 544835968 /nfs/dbraw/zinc/83/59/68/544835968.db2.gz XSMFTIVSBHJKFB-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000671820224 544834940 /nfs/dbraw/zinc/83/49/40/544834940.db2.gz JZCRANXZFAGXLG-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000670473213 544794603 /nfs/dbraw/zinc/79/46/03/544794603.db2.gz PZXFSLBGIIRKHX-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP Cc1nccn1CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000671962650 544836188 /nfs/dbraw/zinc/83/61/88/544836188.db2.gz CFMZILKLCZWGTQ-LBPRGKRZSA-N 2 0 293.371 -0.482 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+](C)C1CC1 ZINC000672207854 544841584 /nfs/dbraw/zinc/84/15/84/544841584.db2.gz IKXAAXSOHLGFKL-VXGBXAGGSA-N 2 0 296.415 -0.204 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CN[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000665295020 419937363 /nfs/dbraw/zinc/93/73/63/419937363.db2.gz ZRNZEDWNKYYWBZ-WCBMZHEXSA-N 2 0 251.334 -0.142 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000359225871 419950977 /nfs/dbraw/zinc/95/09/77/419950977.db2.gz UEQXFGXTAVUDLE-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[NH+](C)CCNc1nc(C)nc(NCC[N@@H+](C)CC)n1 ZINC000359563855 419972374 /nfs/dbraw/zinc/97/23/74/419972374.db2.gz IUEMUXXVJPMMMC-UHFFFAOYSA-N 2 0 295.435 -0.249 20 0 CBADRP C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)[NH+](C)C ZINC000650982423 419975002 /nfs/dbraw/zinc/97/50/02/419975002.db2.gz MVSKBAWZZRDCGE-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP COCCN1CCC([NH2+][C@@H](C)C(=O)N2CCNC2=O)CC1 ZINC000359952944 419997482 /nfs/dbraw/zinc/99/74/82/419997482.db2.gz RNDZQMLNDKZWNH-NSHDSACASA-N 2 0 298.387 -0.373 20 0 CBADRP CNC(=O)CN1CCCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC000363373438 420028625 /nfs/dbraw/zinc/02/86/25/420028625.db2.gz PTWXDNZUXQEVTB-UHFFFAOYSA-N 2 0 284.404 -0.393 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000364196880 420032425 /nfs/dbraw/zinc/03/24/25/420032425.db2.gz QQZMXEVRCZAMOE-AAEUAGOBSA-N 2 0 255.362 -0.048 20 0 CBADRP CCO[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C[C@H]1C[NH3+] ZINC000652217468 420050851 /nfs/dbraw/zinc/05/08/51/420050851.db2.gz YNRSPIQERHVEJX-FVCCEPFGSA-N 2 0 284.404 -0.010 20 0 CBADRP CCO[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C[C@H]1C[NH3+] ZINC000652215207 420051579 /nfs/dbraw/zinc/05/15/79/420051579.db2.gz HTWOOFHZOUKJRU-QNWHQSFQSA-N 2 0 284.404 -0.010 20 0 CBADRP CCO[C@@H]1CN(C(=O)NC[C@@H]([NH3+])C2CC2)C[C@H]1C[NH3+] ZINC000652211627 420051698 /nfs/dbraw/zinc/05/16/98/420051698.db2.gz GDSQNCRRXUUCDO-IJLUTSLNSA-N 2 0 270.377 -0.271 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652238609 420054081 /nfs/dbraw/zinc/05/40/81/420054081.db2.gz OCQAEDAEQALUDK-LBPRGKRZSA-N 2 0 272.393 -0.273 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)NCCC2(C[NH3+])CC2)CCO1 ZINC000652231764 420054640 /nfs/dbraw/zinc/05/46/40/420054640.db2.gz FMSCOQAYSDPKJL-JTQLQIEISA-N 2 0 256.350 -0.516 20 0 CBADRP CCN1C(=O)[C@@H]2C[N@H+](Cc3ccnc(N)c3)CCN2C1=O ZINC000365126465 420054772 /nfs/dbraw/zinc/05/47/72/420054772.db2.gz SFQISPHDHCBPFD-NSHDSACASA-N 2 0 289.339 0.132 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000365159517 420056156 /nfs/dbraw/zinc/05/61/56/420056156.db2.gz YWEDQWQBSFOTBP-DDHJBXDOSA-N 2 0 255.362 -0.302 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)NCCC2CC[NH2+]CC2)CCO1 ZINC000652323882 420056924 /nfs/dbraw/zinc/05/69/24/420056924.db2.gz RGURHOQLWLYXBN-LBPRGKRZSA-N 2 0 270.377 -0.255 20 0 CBADRP CCO[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000652356653 420059077 /nfs/dbraw/zinc/05/90/77/420059077.db2.gz ZZXNUHSCWKEMNN-CHWSQXEVSA-N 3 0 256.394 -0.813 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cn1 ZINC000652611991 420070243 /nfs/dbraw/zinc/07/02/43/420070243.db2.gz DFSZPQCZPZAKQO-GDNZZTSVSA-N 2 0 278.360 -0.216 20 0 CBADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@@H](C)O1 ZINC000365320866 420060960 /nfs/dbraw/zinc/06/09/60/420060960.db2.gz OSAURQQLFGKNPN-YIYPIFLZSA-N 2 0 299.415 -0.285 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000365332576 420061235 /nfs/dbraw/zinc/06/12/35/420061235.db2.gz UHERHYBXYOENSU-RWMBFGLXSA-N 2 0 269.389 -0.054 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000367286383 420101450 /nfs/dbraw/zinc/10/14/50/420101450.db2.gz KGCQDNZBVKARPO-GXTWGEPZSA-N 2 0 267.373 -0.033 20 0 CBADRP O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000367475752 420108202 /nfs/dbraw/zinc/10/82/02/420108202.db2.gz FHUWVULIKMRYOJ-CABCVRRESA-N 2 0 289.379 -0.315 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000367469696 420109290 /nfs/dbraw/zinc/10/92/90/420109290.db2.gz KCMDTYNARAETQL-RUZUBIRVSA-N 2 0 291.399 -0.163 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C[C@H](C)[NH2+]1 ZINC000653050307 420109857 /nfs/dbraw/zinc/10/98/57/420109857.db2.gz QSFXZMJCUQNOAA-NOHGZBONSA-N 2 0 253.346 -0.569 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653046304 420110008 /nfs/dbraw/zinc/11/00/08/420110008.db2.gz SNTDSFOQBYJILM-MDZLAQPJSA-N 2 0 253.346 -0.662 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H](N)CC[NH+](C)C ZINC000653044983 420110028 /nfs/dbraw/zinc/11/00/28/420110028.db2.gz MUHLKNNIGKYDOF-SDDRHHMPSA-N 2 0 256.394 -0.006 20 0 CBADRP CCCN(C(=O)[C@H](N)CC[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000653049146 420110364 /nfs/dbraw/zinc/11/03/64/420110364.db2.gz WEWLSSCOJLKSKT-NWDGAFQWSA-N 2 0 256.394 -0.134 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653045814 420110415 /nfs/dbraw/zinc/11/04/15/420110415.db2.gz NPXARZZTDULPBK-STQMWFEESA-N 2 0 294.399 -0.593 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653044474 420110483 /nfs/dbraw/zinc/11/04/83/420110483.db2.gz HTXXUQSFHPTBQQ-AAEUAGOBSA-N 2 0 253.346 -0.662 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NCCC[NH+]1CCCC1 ZINC000653107051 420116071 /nfs/dbraw/zinc/11/60/71/420116071.db2.gz VVSKHKYWNWGFMH-GFCCVEGCSA-N 2 0 256.394 -0.133 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653112420 420117144 /nfs/dbraw/zinc/11/71/44/420117144.db2.gz YGQIOHFZACCAAZ-WFASDCNBSA-N 2 0 297.399 -0.551 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NCC[NH+]1CCCCC1 ZINC000653106979 420117242 /nfs/dbraw/zinc/11/72/42/420117242.db2.gz SVGFMTRKZPTCLD-GFCCVEGCSA-N 2 0 256.394 -0.133 20 0 CBADRP C[N@H+](CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2)C1CC1 ZINC000653113182 420118622 /nfs/dbraw/zinc/11/86/22/420118622.db2.gz VNMDQTLXGFUJFI-GWCFXTLKSA-N 2 0 253.346 -0.567 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000653117924 420119628 /nfs/dbraw/zinc/11/96/28/420119628.db2.gz ZPPBFKHMJXYPAB-OLZOCXBDSA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[N@@H+]1C ZINC000653119805 420120374 /nfs/dbraw/zinc/12/03/74/420120374.db2.gz WWNLOMZPAOWVRQ-UHXUPSOCSA-N 2 0 267.373 -0.179 20 0 CBADRP O=C([C@H]1CCC[NH2+]CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000653141505 420121438 /nfs/dbraw/zinc/12/14/38/420121438.db2.gz UZKIIEYKOVKQKZ-UONOGXRCSA-N 2 0 280.416 -0.118 20 0 CBADRP C[C@@H](CCCC[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653141928 420121747 /nfs/dbraw/zinc/12/17/47/420121747.db2.gz RIIUHLSXWIKVQM-GVXVVHGQSA-N 2 0 255.362 -0.144 20 0 CBADRP O=C(N1CC[C@H]2CC[NH2+][C@H]2C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653134098 420121819 /nfs/dbraw/zinc/12/18/19/420121819.db2.gz MEZQJHDZUZARDK-UHXUPSOCSA-N 2 0 265.357 -0.567 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653142651 420123299 /nfs/dbraw/zinc/12/32/99/420123299.db2.gz RQLYHPVLAINBJD-WUNNTHRKSA-N 2 0 263.263 -0.282 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)C(F)F ZINC000653144755 420123635 /nfs/dbraw/zinc/12/36/35/420123635.db2.gz BCGVUJUATMSLGW-RNSXUZJQSA-N 2 0 263.288 -0.679 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@H](N)CC[NH+](C)C)C[C@H]1C[NH3+] ZINC000653163001 420124695 /nfs/dbraw/zinc/12/46/95/420124695.db2.gz AIRIXWATPZSXSC-IJLUTSLNSA-N 2 0 256.394 -0.291 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653193791 420125857 /nfs/dbraw/zinc/12/58/57/420125857.db2.gz HAIYHNPSAZPHBQ-GVXVVHGQSA-N 2 0 255.362 -0.062 20 0 CBADRP [NH3+]CC12CCC(CC1)CN2C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653168539 420125962 /nfs/dbraw/zinc/12/59/62/420125962.db2.gz GHPMHUHFXIXMCQ-SROGKVSYSA-N 2 0 279.384 -0.048 20 0 CBADRP [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]1C[NH2+]CCO1 ZINC000653169462 420126082 /nfs/dbraw/zinc/12/60/82/420126082.db2.gz BRHXBIJGFYYCTH-QWKFWESOSA-N 2 0 253.346 -0.295 20 0 CBADRP CC(C)(C(=O)NCCC1(C[NH3+])CC1)N1CC[NH2+]CC1 ZINC000653216192 420127981 /nfs/dbraw/zinc/12/79/81/420127981.db2.gz RGKLOINEXMCAGD-UHFFFAOYSA-N 2 0 268.405 -0.085 20 0 CBADRP [NH3+]CCOCC(=O)NCc1ccc(C[NH3+])cc1F ZINC000653225727 420128999 /nfs/dbraw/zinc/12/89/99/420128999.db2.gz BGZWTQLCGKCSDM-UHFFFAOYSA-N 2 0 255.293 -0.124 20 0 CBADRP C[C@H]1CCCN(C(=O)CNC(=O)C[NH3+])[C@@H]1CC[NH3+] ZINC000653240924 420130298 /nfs/dbraw/zinc/13/02/98/420130298.db2.gz VHLCCJUGAJXHTR-VHSXEESVSA-N 2 0 256.350 -0.963 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[NH2+][C@H]2C)C[C@H]1C[NH3+] ZINC000653247948 420130348 /nfs/dbraw/zinc/13/03/48/420130348.db2.gz YXMPGTMMZADIJO-IRCOFANPSA-N 2 0 255.362 -0.193 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@]2(COC)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000653248520 420130384 /nfs/dbraw/zinc/13/03/84/420130384.db2.gz VLYBBDWEPGAPSS-BZPMIXESSA-N 2 0 285.388 -0.565 20 0 CBADRP [NH3+]CCC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653255965 420131830 /nfs/dbraw/zinc/13/18/30/420131830.db2.gz PKKHEVJABJXSRT-JSGCOSHPSA-N 2 0 267.373 -0.190 20 0 CBADRP O=C(NCCC1CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653273918 420133947 /nfs/dbraw/zinc/13/39/47/420133947.db2.gz UPAPXBKVRRYDKJ-JSGCOSHPSA-N 2 0 267.373 -0.272 20 0 CBADRP C[C@H](CO)[NH2+][C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000653285191 420137042 /nfs/dbraw/zinc/13/70/42/420137042.db2.gz HJWPPGXHZMXHOV-NXEZZACHSA-N 2 0 257.334 -0.964 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)[N@H+](C)C1CC1 ZINC000652686580 420072035 /nfs/dbraw/zinc/07/20/35/420072035.db2.gz KPXCRBWQXSLSNV-LLVKDONJSA-N 2 0 296.415 -0.170 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000652701065 420075871 /nfs/dbraw/zinc/07/58/71/420075871.db2.gz YRDWGDSIOAZGGN-LLVKDONJSA-N 2 0 272.393 -0.456 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)CC[NH3+] ZINC000652706647 420076139 /nfs/dbraw/zinc/07/61/39/420076139.db2.gz GGPKDKQRWKPLPI-UHFFFAOYSA-N 2 0 272.393 -0.502 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000652705884 420076167 /nfs/dbraw/zinc/07/61/67/420076167.db2.gz QGVNKTZXZUPEBL-GFCCVEGCSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652710552 420077892 /nfs/dbraw/zinc/07/78/92/420077892.db2.gz UBNKFTPAKMLVCA-UHFFFAOYSA-N 2 0 296.415 -0.214 20 0 CBADRP C[C@@H](CNC(=O)[C@]1(F)CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000366345336 420082803 /nfs/dbraw/zinc/08/28/03/420082803.db2.gz IJZVMEYTEPJBSV-AAEUAGOBSA-N 2 0 272.368 -0.560 20 0 CBADRP C[NH2+]CC(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000366349010 420083155 /nfs/dbraw/zinc/08/31/55/420083155.db2.gz UFVXZHUMBWSKAS-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+](C)C1(CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCC1 ZINC000654539690 420183986 /nfs/dbraw/zinc/18/39/86/420183986.db2.gz QSMQWQJDAKLKFH-QWHCGFSZSA-N 2 0 296.415 -0.069 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000370774482 420187627 /nfs/dbraw/zinc/18/76/27/420187627.db2.gz ROICQMRQQYKBCG-YUSALJHKSA-N 2 0 253.346 -0.426 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000377301146 420194933 /nfs/dbraw/zinc/19/49/33/420194933.db2.gz ZFSUNTGFOHOBJT-GRYCIOLGSA-N 2 0 255.362 -0.491 20 0 CBADRP C[C@@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[N@H+](C)C1CC1 ZINC000388499581 420204866 /nfs/dbraw/zinc/20/48/66/420204866.db2.gz GZCROELXQVFQJI-JQWIXIFHSA-N 2 0 291.417 -0.623 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000388558257 420206017 /nfs/dbraw/zinc/20/60/17/420206017.db2.gz ZYKBYRIJHDLYAI-RYUDHWBXSA-N 2 0 293.433 -0.376 20 0 CBADRP CCC[C@@H]([NH3+])c1cn(C[C@H](O)CN2CCOCC2)nn1 ZINC000394264292 420210664 /nfs/dbraw/zinc/21/06/64/420210664.db2.gz OKUBRAZLUQKOFX-VXGBXAGGSA-N 2 0 283.376 -0.229 20 0 CBADRP CCC[C@@H]([NH3+])c1cn(C[C@@H](O)CN2CCOCC2)nn1 ZINC000394264289 420211287 /nfs/dbraw/zinc/21/12/87/420211287.db2.gz OKUBRAZLUQKOFX-NWDGAFQWSA-N 2 0 283.376 -0.229 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000653541358 420146990 /nfs/dbraw/zinc/14/69/90/420146990.db2.gz MTJKNXBBDVVLKV-OLZOCXBDSA-N 2 0 259.394 -0.703 20 0 CBADRP COCCNC(=[NH2+])NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368917383 420147562 /nfs/dbraw/zinc/14/75/62/420147562.db2.gz CORVPCQVYPRFOA-GHMZBOCLSA-N 2 0 256.350 -0.390 20 0 CBADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CC(N)=O)C1 ZINC000653563595 420148467 /nfs/dbraw/zinc/14/84/67/420148467.db2.gz UQAZWESICTYGRR-RYUDHWBXSA-N 2 0 257.378 -0.114 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@@]12CCNC2=O ZINC000653717280 420157470 /nfs/dbraw/zinc/15/74/70/420157470.db2.gz ODASTADPBMJSMR-OCCSQVGLSA-N 2 0 285.388 -0.720 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000369334316 420158290 /nfs/dbraw/zinc/15/82/90/420158290.db2.gz KDBCEISKZGVWKR-MXWKQRLJSA-N 2 0 271.386 -0.719 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000369334315 420159113 /nfs/dbraw/zinc/15/91/13/420159113.db2.gz KDBCEISKZGVWKR-AXFHLTTASA-N 2 0 271.386 -0.719 20 0 CBADRP CCN1CCO[C@H](C(=O)N(CCOC)CC[NH+](C)C)C1 ZINC000369679788 420162749 /nfs/dbraw/zinc/16/27/49/420162749.db2.gz XOGYLOIQZIWOSF-ZDUSSCGKSA-N 2 0 287.404 -0.256 20 0 CBADRP CC[NH+]1CCC(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654351028 420174020 /nfs/dbraw/zinc/17/40/20/420174020.db2.gz AMHJICVXAPHTFY-UONOGXRCSA-N 2 0 296.415 -0.069 20 0 CBADRP C[C@H]1C[C@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000654460821 420180005 /nfs/dbraw/zinc/18/00/05/420180005.db2.gz AZHQMRXVKMASBD-RFQIPJPRSA-N 2 0 296.415 -0.071 20 0 CBADRP CS(=O)(=O)NCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400981350 420222682 /nfs/dbraw/zinc/22/26/82/420222682.db2.gz UQNHKRCDFLXPLQ-IJLUTSLNSA-N 2 0 275.418 -0.097 20 0 CBADRP C[C@@H]1CCC[N@H+](CCN2C(=O)CNC2=O)[C@@H]1CC[NH3+] ZINC000404288412 420223804 /nfs/dbraw/zinc/22/38/04/420223804.db2.gz JGHCQQHNETZERJ-GHMZBOCLSA-N 2 0 268.361 -0.013 20 0 CBADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000404977119 420225943 /nfs/dbraw/zinc/22/59/43/420225943.db2.gz ZYBOQDABZQLGIS-NWDGAFQWSA-N 2 0 255.362 -0.083 20 0 CBADRP CCO[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000405430708 420228140 /nfs/dbraw/zinc/22/81/40/420228140.db2.gz HUBGWMKVNOTUKY-GHMZBOCLSA-N 2 0 264.391 -0.283 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000407259964 420229193 /nfs/dbraw/zinc/22/91/93/420229193.db2.gz IQYVAQVVCRBYLM-ZIAGYGMSSA-N 2 0 280.416 -0.119 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CN(C)CCO1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655244182 420233099 /nfs/dbraw/zinc/23/30/99/420233099.db2.gz NRZOHJYHPIFDSJ-YIYPIFLZSA-N 2 0 299.415 -0.069 20 0 CBADRP CC[C@@H](C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)C ZINC000655296071 420236760 /nfs/dbraw/zinc/23/67/60/420236760.db2.gz FZVARZLWYYKWSK-TUAOUCFPSA-N 2 0 255.362 -0.396 20 0 CBADRP C[N@H+](CC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@H]1CCSC1 ZINC000655295534 420237170 /nfs/dbraw/zinc/23/71/70/420237170.db2.gz DBJGFLAUXRQMGL-RWMBFGLXSA-N 2 0 299.440 -0.299 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000415223247 420239616 /nfs/dbraw/zinc/23/96/16/420239616.db2.gz XQBNIUFNKJYDPG-RYUDHWBXSA-N 2 0 294.403 0.564 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000415223245 420239970 /nfs/dbraw/zinc/23/99/70/420239970.db2.gz XQBNIUFNKJYDPG-NWDGAFQWSA-N 2 0 294.403 0.564 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000415223242 420240989 /nfs/dbraw/zinc/24/09/89/420240989.db2.gz XQBNIUFNKJYDPG-NEPJUHHUSA-N 2 0 294.403 0.564 20 0 CBADRP CC[NH2+]CCNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000418321077 420241443 /nfs/dbraw/zinc/24/14/43/420241443.db2.gz XRVGVBHHNHCTFK-LBPRGKRZSA-N 2 0 272.393 -0.258 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655298376 420241695 /nfs/dbraw/zinc/24/16/95/420241695.db2.gz HYZLEXOIOZBZHN-NWDGAFQWSA-N 2 0 255.362 -0.396 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000419107310 420243042 /nfs/dbraw/zinc/24/30/42/420243042.db2.gz PMJYXMAPYXKBRD-WDEREUQCSA-N 2 0 282.388 -0.417 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418931738 420243166 /nfs/dbraw/zinc/24/31/66/420243166.db2.gz HHTZIZZJZIYCOH-AGIUHOORSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418931741 420244098 /nfs/dbraw/zinc/24/40/98/420244098.db2.gz HHTZIZZJZIYCOH-RWMBFGLXSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419525589 420246428 /nfs/dbraw/zinc/24/64/28/420246428.db2.gz ROQLLZWITDKZOH-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420095687 420247141 /nfs/dbraw/zinc/24/71/41/420247141.db2.gz SVKOQQBXSHYOAS-LLVKDONJSA-N 2 0 282.388 -0.463 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000419987129 420247202 /nfs/dbraw/zinc/24/72/02/420247202.db2.gz CYJXUGFZEPWYOE-VXGBXAGGSA-N 2 0 284.404 -0.219 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000419982070 420247357 /nfs/dbraw/zinc/24/73/57/420247357.db2.gz SQLQKQYNHIDTAC-STQMWFEESA-N 2 0 296.415 -0.219 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000419883361 420247808 /nfs/dbraw/zinc/24/78/08/420247808.db2.gz DDLBWARBVRGNGY-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419959310 420248361 /nfs/dbraw/zinc/24/83/61/420248361.db2.gz XDTMDKWZAITTAA-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655449749 420250663 /nfs/dbraw/zinc/25/06/63/420250663.db2.gz NTKRLVHLLMZBAE-UMVBOHGHSA-N 2 0 280.416 -0.262 20 0 CBADRP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000655462509 420253293 /nfs/dbraw/zinc/25/32/93/420253293.db2.gz QXTGHCMWMXSMTG-OFQRWUPVSA-N 2 0 292.427 -0.118 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000422961634 420255509 /nfs/dbraw/zinc/25/55/09/420255509.db2.gz CPJAOUSKMQCGQS-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422967524 420255724 /nfs/dbraw/zinc/25/57/24/420255724.db2.gz CDENVJVSHZREIT-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655478182 420256137 /nfs/dbraw/zinc/25/61/37/420256137.db2.gz PFXPTGGXAWCADA-GVXVVHGQSA-N 2 0 253.346 -0.519 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000423512806 420257305 /nfs/dbraw/zinc/25/73/05/420257305.db2.gz RALAUTIOIDBCOE-UHFFFAOYSA-N 2 0 272.393 -0.537 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423727202 420257322 /nfs/dbraw/zinc/25/73/22/420257322.db2.gz QTANVGSASGFHMH-NEPJUHHUSA-N 2 0 282.388 -0.511 20 0 CBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)CC[NH2+]C ZINC000423427250 420257417 /nfs/dbraw/zinc/25/74/17/420257417.db2.gz INZWPHGAGORRCS-UHFFFAOYSA-N 2 0 298.431 -0.001 20 0 CBADRP [NH3+]C[C@H](NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C(F)(F)F ZINC000655514840 420260862 /nfs/dbraw/zinc/26/08/62/420260862.db2.gz DMNCXBPNNQGQAL-ACLDMZEESA-N 2 0 251.252 -0.008 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655755285 420271464 /nfs/dbraw/zinc/27/14/64/420271464.db2.gz WEHLWXDHGNMHAI-GJZGRUSLSA-N 2 0 283.416 -0.104 20 0 CBADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000430615193 420271858 /nfs/dbraw/zinc/27/18/58/420271858.db2.gz BFUDSADVJACFPT-GHMZBOCLSA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655925242 420278112 /nfs/dbraw/zinc/27/81/12/420278112.db2.gz ZDFBABOHLDMLMX-MRVPVSSYSA-N 2 0 286.298 -0.247 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655923689 420278220 /nfs/dbraw/zinc/27/82/20/420278220.db2.gz BICUMWUJFJFQIH-IONNQARKSA-N 2 0 284.282 -0.758 20 0 CBADRP CN1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[C@H](C[NH3+])C1 ZINC000655971119 420283925 /nfs/dbraw/zinc/28/39/25/420283925.db2.gz SVBJMRWOZMDQEU-FRRDWIJNSA-N 2 0 283.420 -0.389 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000655971074 420284521 /nfs/dbraw/zinc/28/45/21/420284521.db2.gz RJMJAPAEMLAJFP-GRYCIOLGSA-N 2 0 270.377 -0.304 20 0 CBADRP O=C(NCCC1CC[NH2+]CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655968641 420285635 /nfs/dbraw/zinc/28/56/35/420285635.db2.gz BXUAGFCPAIJBAE-UONOGXRCSA-N 2 0 296.415 -0.164 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1O ZINC000655094453 420220612 /nfs/dbraw/zinc/22/06/12/420220612.db2.gz GIUINIZOIMJQJY-WOPDTQHZSA-N 2 0 255.362 -0.396 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCO[C@@H]2CC2(F)F)CC1 ZINC000656707476 420320020 /nfs/dbraw/zinc/32/00/20/420320020.db2.gz CCZLDOPOVMLHDZ-VXGBXAGGSA-N 2 0 293.358 -0.392 20 0 CBADRP CN(C[C@@H]1CCCN(C(=O)C[NH3+])C1)CC(C)(C)[NH3+] ZINC000656786465 420321935 /nfs/dbraw/zinc/32/19/35/420321935.db2.gz ZIKBGSCTJAXXNN-NSHDSACASA-N 2 0 256.394 -0.147 20 0 CBADRP C[C@H](Cn1cncn1)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000657881513 420363787 /nfs/dbraw/zinc/36/37/87/420363787.db2.gz OTGSQEYUXRKRCP-CHWSQXEVSA-N 2 0 266.393 -0.108 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000514616220 420359611 /nfs/dbraw/zinc/35/96/11/420359611.db2.gz MTLVFVOKNUCJID-MMWGEVLESA-N 2 0 268.361 -0.870 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000516180188 420362216 /nfs/dbraw/zinc/36/22/16/420362216.db2.gz DPTKOATZKJYWCM-TUAOUCFPSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656021607 420292737 /nfs/dbraw/zinc/29/27/37/420292737.db2.gz CYGZRVHKSIRYHT-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP [NH3+]CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656019612 420293283 /nfs/dbraw/zinc/29/32/83/420293283.db2.gz HNPRKPDFRSZYDA-WDEREUQCSA-N 2 0 268.361 -0.806 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000656020713 420293874 /nfs/dbraw/zinc/29/38/74/420293874.db2.gz VOMCHNBSRPANPG-UTUOFQBUSA-N 2 0 282.388 -0.689 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656022071 420294102 /nfs/dbraw/zinc/29/41/02/420294102.db2.gz AVMXMACCENHCIS-TUAOUCFPSA-N 2 0 284.404 -0.458 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000446398361 420294839 /nfs/dbraw/zinc/29/48/39/420294839.db2.gz YFZQWBLUQPCLDD-UPJWGTAASA-N 2 0 296.415 -0.217 20 0 CBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000656102816 420298172 /nfs/dbraw/zinc/29/81/72/420298172.db2.gz PGTBMOXXIBYAJQ-GFCCVEGCSA-N 2 0 296.415 -0.121 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@@H]([NH2+]C[C@@H]2CCCCO2)C1=O ZINC000516935307 420368689 /nfs/dbraw/zinc/36/86/89/420368689.db2.gz SCMFGFWYJNOXSZ-NWDGAFQWSA-N 2 0 283.372 -0.166 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC000658099927 420368829 /nfs/dbraw/zinc/36/88/29/420368829.db2.gz NUBBPANEMLROQZ-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC[NH+](C)C ZINC000658102294 420369465 /nfs/dbraw/zinc/36/94/65/420369465.db2.gz LELULRGNAWBWBM-UHFFFAOYSA-N 2 0 272.393 -0.584 20 0 CBADRP CCOC(=O)CCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000517127804 420371606 /nfs/dbraw/zinc/37/16/06/420371606.db2.gz PCKIWBZGBQGCSV-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP O=C(CC1CC[NH2+]CC1)NCCN1CC[NH2+]CC1 ZINC000517139340 420372031 /nfs/dbraw/zinc/37/20/31/420372031.db2.gz GVXSLYXVFPWUBN-UHFFFAOYSA-N 2 0 254.378 -0.603 20 0 CBADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccncc1 ZINC000658381503 420372539 /nfs/dbraw/zinc/37/25/39/420372539.db2.gz RTKXMEWPQFJNNT-UHFFFAOYSA-N 2 0 272.374 -0.230 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)CN2CC(C)(C)C2)C1 ZINC000517245625 420374047 /nfs/dbraw/zinc/37/40/47/420374047.db2.gz XAAJQNNHIJSPSS-ZDUSSCGKSA-N 2 0 255.362 -0.489 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000517373248 420376135 /nfs/dbraw/zinc/37/61/35/420376135.db2.gz QCGUHYMMZKWKJJ-OUAUKWLOSA-N 2 0 271.361 -0.099 20 0 CBADRP O=C(C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000517731050 420380368 /nfs/dbraw/zinc/38/03/68/420380368.db2.gz DVXKOVZMYXNWMT-UPJWGTAASA-N 2 0 292.383 -0.887 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000518735679 420382223 /nfs/dbraw/zinc/38/22/23/420382223.db2.gz UVOPXGYZHYJWPB-RYUDHWBXSA-N 2 0 254.378 -0.462 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000519641441 420383210 /nfs/dbraw/zinc/38/32/10/420383210.db2.gz GIAPEOVSFLORDG-AAEUAGOBSA-N 2 0 255.362 -0.048 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC[C@H]1CCC[NH2+]C1 ZINC000519641255 420383862 /nfs/dbraw/zinc/38/38/62/420383862.db2.gz GNTYWDRZBDHYFV-CHWSQXEVSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CC[NH2+]C1CC1 ZINC000519614611 420384004 /nfs/dbraw/zinc/38/40/04/420384004.db2.gz NXAKKKXXVOCNQV-LBPRGKRZSA-N 2 0 268.405 -0.119 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658678052 420385297 /nfs/dbraw/zinc/38/52/97/420385297.db2.gz GFRYWZSGARWITJ-UHFFFAOYSA-N 2 0 298.431 -0.195 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000521994256 420392610 /nfs/dbraw/zinc/39/26/10/420392610.db2.gz YXYWCOGWSHQMFZ-IJLUTSLNSA-N 2 0 255.362 -0.001 20 0 CBADRP C(CN1C[C@H]2C[NH2+]C[C@H]2C1)OCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000674232084 544899283 /nfs/dbraw/zinc/89/92/83/544899283.db2.gz OLSGZWARNHIAMV-GEEKYZPCSA-N 3 0 294.443 -0.695 20 0 CBADRP CO[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C(C)C ZINC000516965275 420367654 /nfs/dbraw/zinc/36/76/54/420367654.db2.gz NHOWWEAYWHMHJU-ZIAGYGMSSA-N 2 0 273.421 -0.145 20 0 CBADRP CN1CCO[C@H](C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000676344920 544948301 /nfs/dbraw/zinc/94/83/01/544948301.db2.gz UUCUTBWJPXTIRY-KBPBESRZSA-N 2 0 297.399 -0.314 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000676348052 544948969 /nfs/dbraw/zinc/94/89/69/544948969.db2.gz NTASWKLVUWYSGJ-UONOGXRCSA-N 2 0 298.431 -0.541 20 0 CBADRP C[C@H](NC(=O)[C@H](C)N1CCN(C)CC1)[C@H]1CN(C)CCO1 ZINC000676347983 544948993 /nfs/dbraw/zinc/94/89/93/544948993.db2.gz KYUWSESCEHDERJ-MELADBBJSA-N 2 0 298.431 -0.542 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000676348050 544949196 /nfs/dbraw/zinc/94/91/96/544949196.db2.gz NTASWKLVUWYSGJ-KBPBESRZSA-N 2 0 298.431 -0.541 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)c1cn(CC[NH3+])nn1 ZINC000659298253 420408871 /nfs/dbraw/zinc/40/88/71/420408871.db2.gz YKIUDODSTKAQTL-VIFPVBQESA-N 2 0 254.338 -0.660 20 0 CBADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000677887001 544988815 /nfs/dbraw/zinc/98/88/15/544988815.db2.gz YQHPPPOHHBBJGM-HUUCEWRRSA-N 2 0 292.427 -0.023 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)NCCC[N@H+](C)CCOC ZINC000659437790 420419367 /nfs/dbraw/zinc/41/93/67/420419367.db2.gz HVEGHNLDMGLXPN-NSHDSACASA-N 2 0 260.382 -0.138 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000659458817 420421974 /nfs/dbraw/zinc/42/19/74/420421974.db2.gz UKDKQTPXHQDNEL-MNOVXSKESA-N 2 0 258.366 -0.386 20 0 CBADRP C[C@@H]1C[C@H](C)N(C(=O)c2cn(CC[NH3+])nn2)C[C@@H]1C[NH3+] ZINC000659326045 420412915 /nfs/dbraw/zinc/41/29/15/420412915.db2.gz PTLPZKLOIHUGII-VWYCJHECSA-N 2 0 280.376 -0.318 20 0 CBADRP C[C@H]1CCCN(C(=O)c2cn(CC[NH3+])nn2)[C@@H]1CC[NH3+] ZINC000659327726 420413517 /nfs/dbraw/zinc/41/35/17/420413517.db2.gz HBBUEWIHDUSCBF-CMPLNLGQSA-N 2 0 280.376 -0.174 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C[C@H]2CSCC[NH2+]2)CC[C@H]1F ZINC000659389213 420417419 /nfs/dbraw/zinc/41/74/19/420417419.db2.gz PRKIARKIMHNTEL-IVZWLZJFSA-N 2 0 261.366 -0.021 20 0 CBADRP COC1(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC000659388670 420417700 /nfs/dbraw/zinc/41/77/00/420417700.db2.gz DMUHCJOBMDBXRA-NXEZZACHSA-N 2 0 259.325 -0.347 20 0 CBADRP [NH3+]C1(CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCCC1 ZINC000659575271 420434409 /nfs/dbraw/zinc/43/44/09/420434409.db2.gz KZRFEKJTCBERKZ-CYBMUJFWSA-N 2 0 295.431 -0.053 20 0 CBADRP [NH3+]C1(CNC(=O)N2CCOC3(C[NH2+]C3)C2)CCCC1 ZINC000659575291 420434708 /nfs/dbraw/zinc/43/47/08/420434708.db2.gz LMFCVWMLZMQMJN-UHFFFAOYSA-N 2 0 268.361 -0.358 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)CC[N@@H+]1C ZINC000343286209 230232355 /nfs/dbraw/zinc/23/23/55/230232355.db2.gz XORIQPXPXZPCFF-HZSPNIEDSA-N 2 0 280.416 -0.025 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)NCCN1CC[NH2+]CC1 ZINC000659506701 420424531 /nfs/dbraw/zinc/42/45/31/420424531.db2.gz ACCBHJYHSJTKOA-GFCCVEGCSA-N 2 0 271.409 -0.436 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000659506328 420424874 /nfs/dbraw/zinc/42/48/74/420424874.db2.gz PWJHDNLTCRHYQS-NSHDSACASA-N 2 0 257.382 -0.811 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000659508387 420425313 /nfs/dbraw/zinc/42/53/13/420425313.db2.gz USKGVUQTUUWWIC-ZDUSSCGKSA-N 2 0 283.420 -0.325 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000659514552 420426711 /nfs/dbraw/zinc/42/67/11/420426711.db2.gz BOUGIQZWACHWDH-LBPRGKRZSA-N 2 0 299.419 -0.600 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659611694 420437415 /nfs/dbraw/zinc/43/74/15/420437415.db2.gz QBSHJRPAVOJGBR-VOZVASTJSA-N 2 0 250.346 -0.401 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC[C@H]1F ZINC000659551359 420431922 /nfs/dbraw/zinc/43/19/22/420431922.db2.gz BAIOGXRUDUZBKE-IVZWLZJFSA-N 2 0 260.313 -0.945 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC000659550822 420432466 /nfs/dbraw/zinc/43/24/66/420432466.db2.gz YRAKUVXJMZAVCM-MQYQWHSLSA-N 2 0 296.415 -0.044 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659547395 420432544 /nfs/dbraw/zinc/43/25/44/420432544.db2.gz CODYPNPCRGRGGA-MNOVXSKESA-N 2 0 287.408 -0.617 20 0 CBADRP C[C@@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[NH+](C)C ZINC000680219389 545036698 /nfs/dbraw/zinc/03/66/98/545036698.db2.gz WLSORJVCOVJYOZ-ZDUSSCGKSA-N 2 0 299.415 -0.378 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000680833516 545040738 /nfs/dbraw/zinc/04/07/38/545040738.db2.gz ZMTHAZRLPVZEIB-YPMHNXCESA-N 2 0 270.377 -0.554 20 0 CBADRP CO[C@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000659564025 420433924 /nfs/dbraw/zinc/43/39/24/420433924.db2.gz BNQZJIMRZYJKMW-DCAQKATOSA-N 2 0 256.350 -0.504 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000659750306 420467257 /nfs/dbraw/zinc/46/72/57/420467257.db2.gz BJTXVGBPNNJOND-RYUDHWBXSA-N 2 0 298.431 -0.101 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000659751301 420467756 /nfs/dbraw/zinc/46/77/56/420467756.db2.gz GDCRXOUPBMSOOL-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659750058 420467783 /nfs/dbraw/zinc/46/77/83/420467783.db2.gz DFWBZTDBDDTENB-WDEREUQCSA-N 2 0 284.404 -0.301 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000659752013 420467922 /nfs/dbraw/zinc/46/79/22/420467922.db2.gz KIJLWELDSRHSIT-VXGBXAGGSA-N 2 0 284.404 -0.301 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000659752707 420467939 /nfs/dbraw/zinc/46/79/39/420467939.db2.gz MWZIEGUPFPSLCK-SNVBAGLBSA-N 2 0 258.366 -0.879 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000659751604 420468409 /nfs/dbraw/zinc/46/84/09/420468409.db2.gz HYUDKAMYOCXJJQ-LLVKDONJSA-N 2 0 284.404 -0.301 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000659755949 420468936 /nfs/dbraw/zinc/46/89/36/420468936.db2.gz OZZQEOCYNAMYGB-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000659755946 420468954 /nfs/dbraw/zinc/46/89/54/420468954.db2.gz OZZQEOCYNAMYGB-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000659757331 420469112 /nfs/dbraw/zinc/46/91/12/420469112.db2.gz WZEXXXLPFFBYAM-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659755710 420469515 /nfs/dbraw/zinc/46/95/15/420469515.db2.gz ZFNRNOQVQUBCHT-ZYHUDNBSSA-N 2 0 282.388 -0.594 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@]23C[C@H]2CC[NH2+]3)n1 ZINC000581371579 420470478 /nfs/dbraw/zinc/47/04/78/420470478.db2.gz FCPOPCKWTUINHD-MFKMUULPSA-N 2 0 263.345 0.135 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)CCCO1 ZINC000659609554 420437684 /nfs/dbraw/zinc/43/76/84/420437684.db2.gz BWAXLAMVDKKDHD-AKJDGMEZSA-N 2 0 268.361 -0.502 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659615162 420438692 /nfs/dbraw/zinc/43/86/92/420438692.db2.gz HUXFKVUMLUDKHV-KGPNIALWSA-N 2 0 268.361 -0.896 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000659619745 420438974 /nfs/dbraw/zinc/43/89/74/420438974.db2.gz STGKMORRUYICBZ-YNEHKIRRSA-N 2 0 284.404 -0.180 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000659622359 420439196 /nfs/dbraw/zinc/43/91/96/420439196.db2.gz PGENFWHOPAEIDB-DGCLKSJQSA-N 2 0 272.393 -0.274 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659619623 420439299 /nfs/dbraw/zinc/43/92/99/420439299.db2.gz ZNVOQFVWIAZANK-UHFFFAOYSA-N 3 0 297.447 -0.127 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000659639051 420441245 /nfs/dbraw/zinc/44/12/45/420441245.db2.gz JINMSPMXOJKFJF-QWHCGFSZSA-N 2 0 285.436 -0.081 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000659636634 420442134 /nfs/dbraw/zinc/44/21/34/420442134.db2.gz XSZOSVVZDIRMHB-SDDRHHMPSA-N 2 0 272.393 -0.309 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000659636183 420442414 /nfs/dbraw/zinc/44/24/14/420442414.db2.gz NHRFQCRIWUVWSN-OUAUKWLOSA-N 2 0 256.350 -0.945 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000659643107 420443628 /nfs/dbraw/zinc/44/36/28/420443628.db2.gz NPMQLVXBQYGAQB-NWDGAFQWSA-N 2 0 284.404 -0.009 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cn2ccccc2n1 ZINC000659677255 420446611 /nfs/dbraw/zinc/44/66/11/420446611.db2.gz MPIRVWYNTVOXRE-SNVBAGLBSA-N 2 0 289.339 -0.325 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659675263 420446680 /nfs/dbraw/zinc/44/66/80/420446680.db2.gz MYINJIZMZYUOFU-MNOVXSKESA-N 2 0 272.393 -0.443 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659680796 420447289 /nfs/dbraw/zinc/44/72/89/420447289.db2.gz LGUSZYKCAFWJGZ-XQQFMLRXSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC[N@@H+]1C ZINC000659679541 420447361 /nfs/dbraw/zinc/44/73/61/420447361.db2.gz ZIPXYXFALHABKP-NGWKBDRKSA-N 2 0 294.399 -0.465 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000659682400 420447729 /nfs/dbraw/zinc/44/77/29/420447729.db2.gz YXICYARFXOCBEW-JTQLQIEISA-N 2 0 289.339 -0.325 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000659681360 420447933 /nfs/dbraw/zinc/44/79/33/420447933.db2.gz GVXVEPRNCOBZOH-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC[N@@H+]1C ZINC000659677663 420448038 /nfs/dbraw/zinc/44/80/38/420448038.db2.gz GUQKGFMDOPWMGG-GHMZBOCLSA-N 2 0 284.404 -0.219 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659686540 420448506 /nfs/dbraw/zinc/44/85/06/420448506.db2.gz FYJAOVBWUNBJEK-LOIXOFCESA-N 2 0 292.383 -0.711 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659687329 420448834 /nfs/dbraw/zinc/44/88/34/420448834.db2.gz TZDZCSICFNCONW-DGCLKSJQSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000659684693 420448852 /nfs/dbraw/zinc/44/88/52/420448852.db2.gz JDRFJSZQRHOHRV-JTQLQIEISA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659687387 420449067 /nfs/dbraw/zinc/44/90/67/420449067.db2.gz VEJIAJLAZWOKND-GMTAPVOTSA-N 2 0 288.367 -0.660 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659687364 420449174 /nfs/dbraw/zinc/44/91/74/420449174.db2.gz URLMMSBVRDDVNL-SNVBAGLBSA-N 2 0 282.388 -0.465 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000659684998 420449343 /nfs/dbraw/zinc/44/93/43/420449343.db2.gz MPWVMDWZLNDPTN-GFCCVEGCSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659685808 420449369 /nfs/dbraw/zinc/44/93/69/420449369.db2.gz PHYYOABTHRQDMG-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659686210 420449382 /nfs/dbraw/zinc/44/93/82/420449382.db2.gz CSHOYHIEDMPBRS-IFQILLTASA-N 2 0 282.388 -0.608 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659692627 420450126 /nfs/dbraw/zinc/45/01/26/420450126.db2.gz UIEZRTNIOQGOQI-UHFFFAOYSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000659696322 420451041 /nfs/dbraw/zinc/45/10/41/420451041.db2.gz KUEHJMRCIFLUFK-WODVXLOZSA-N 2 0 296.415 -0.158 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)C1CC1 ZINC000659699678 420451562 /nfs/dbraw/zinc/45/15/62/420451562.db2.gz SJAVORZLJVXKDF-UHFFFAOYSA-N 2 0 294.399 -0.545 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000659699555 420451635 /nfs/dbraw/zinc/45/16/35/420451635.db2.gz XHYIFJWRVCHKPT-GFCCVEGCSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659698245 420451705 /nfs/dbraw/zinc/45/17/05/420451705.db2.gz DCPRKAJTORWKGX-BZUNDVKYSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N(C)CC(C)(C)[NH3+])C1CC1 ZINC000659699187 420452097 /nfs/dbraw/zinc/45/20/97/420452097.db2.gz MNEMAFPBFVIFOH-UHFFFAOYSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000659700713 420452217 /nfs/dbraw/zinc/45/22/17/420452217.db2.gz SMLOZUMQRDJICX-GHMZBOCLSA-N 2 0 286.420 -0.197 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000659702014 420453005 /nfs/dbraw/zinc/45/30/05/420453005.db2.gz KVNHUGUWGXTXTJ-VXGBXAGGSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000659704343 420453301 /nfs/dbraw/zinc/45/33/01/420453301.db2.gz KJLDWITVKLBMDW-ZYHUDNBSSA-N 2 0 282.388 -0.689 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659706301 420453363 /nfs/dbraw/zinc/45/33/63/420453363.db2.gz KTVAYGDSRDYJDM-SNVBAGLBSA-N 2 0 258.366 -0.832 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000659708819 420454047 /nfs/dbraw/zinc/45/40/47/420454047.db2.gz ABZBRKPVICSRRI-RYUDHWBXSA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000659712819 420455909 /nfs/dbraw/zinc/45/59/09/420455909.db2.gz MFDQWWMGQUTPPL-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000659714003 420456484 /nfs/dbraw/zinc/45/64/84/420456484.db2.gz IOSXFXRJRBFAKY-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659715519 420456670 /nfs/dbraw/zinc/45/66/70/420456670.db2.gz PTMXBUJDMUQOJJ-NXEZZACHSA-N 2 0 270.377 -0.561 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2C[NH2+]C2)C1 ZINC000659715465 420456787 /nfs/dbraw/zinc/45/67/87/420456787.db2.gz VHVUFHLXSZZKDI-LLVKDONJSA-N 2 0 282.388 -0.689 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000659715018 420457300 /nfs/dbraw/zinc/45/73/00/420457300.db2.gz ZVIXWMZTNCEZNZ-LBPRGKRZSA-N 2 0 282.388 -0.545 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000659716109 420457417 /nfs/dbraw/zinc/45/74/17/420457417.db2.gz VLMZGRSTDJJIDS-QWHCGFSZSA-N 2 0 296.415 -0.297 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000659716137 420458082 /nfs/dbraw/zinc/45/80/82/420458082.db2.gz WIEVZNSGQZQBLC-VXGBXAGGSA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659719616 420458796 /nfs/dbraw/zinc/45/87/96/420458796.db2.gz IOBXNDFTBOKGQO-SNVBAGLBSA-N 2 0 284.404 -0.171 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000659720866 420459307 /nfs/dbraw/zinc/45/93/07/420459307.db2.gz FXLNHBOFOKGJOB-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C1 ZINC000659720869 420459552 /nfs/dbraw/zinc/45/95/52/420459552.db2.gz FXPGMIXGGGQZCY-FRRDWIJNSA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000659725128 420460463 /nfs/dbraw/zinc/46/04/63/420460463.db2.gz XPOHWLLFPWQZCK-RWMBFGLXSA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000659725127 420460490 /nfs/dbraw/zinc/46/04/90/420460490.db2.gz XPOHWLLFPWQZCK-FRRDWIJNSA-N 2 0 296.415 -0.299 20 0 CBADRP O=C(Nc1ccn([C@H]2CC[NH2+]C2)n1)[C@]12C[C@H]1CC[NH2+]2 ZINC000574684053 420461788 /nfs/dbraw/zinc/46/17/88/420461788.db2.gz VXDYMWSMUYQPMF-NRUUGDAUSA-N 2 0 261.329 0.108 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659736507 420463074 /nfs/dbraw/zinc/46/30/74/420463074.db2.gz MZFXBKSQHFQLQV-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)C1 ZINC000659738280 420463356 /nfs/dbraw/zinc/46/33/56/420463356.db2.gz DGZVYXTZNWPHJU-AGIUHOORSA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000659738468 420463632 /nfs/dbraw/zinc/46/36/32/420463632.db2.gz DZLOBMWOQRIAPH-GRYCIOLGSA-N 2 0 282.388 -0.608 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000659739509 420464814 /nfs/dbraw/zinc/46/48/14/420464814.db2.gz WLXRDRKWPYYXAF-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000659741941 420465002 /nfs/dbraw/zinc/46/50/02/420465002.db2.gz RIUFWWRQNKQYSZ-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000659751299 420466931 /nfs/dbraw/zinc/46/69/31/420466931.db2.gz GDCRXOUPBMSOOL-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000659751338 420466983 /nfs/dbraw/zinc/46/69/83/420466983.db2.gz TZZAKDNQVUQYJJ-LLVKDONJSA-N 2 0 284.404 -0.489 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659750055 420467015 /nfs/dbraw/zinc/46/70/15/420467015.db2.gz DFWBZTDBDDTENB-GHMZBOCLSA-N 2 0 284.404 -0.301 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000659750957 420467061 /nfs/dbraw/zinc/46/70/61/420467061.db2.gz DZMKUYFXGOESDO-TUAOUCFPSA-N 2 0 282.388 -0.737 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000659750853 420467168 /nfs/dbraw/zinc/46/71/68/420467168.db2.gz QNLYKEHBGHDSDS-TUAOUCFPSA-N 2 0 284.404 -0.348 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC000591450824 420479260 /nfs/dbraw/zinc/47/92/60/420479260.db2.gz UPFQPINBSGJZIB-LLVKDONJSA-N 2 0 265.361 0.335 20 0 CBADRP Cn1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn1 ZINC000521382163 260091481 /nfs/dbraw/zinc/09/14/81/260091481.db2.gz NLLRRVOTOUQFPF-UHFFFAOYSA-N 2 0 283.380 -0.228 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000516926117 260290431 /nfs/dbraw/zinc/29/04/31/260290431.db2.gz ADCFBCPIAVIDKT-NDBYEHHHSA-N 2 0 275.356 -0.245 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000517932485 260320351 /nfs/dbraw/zinc/32/03/51/260320351.db2.gz MFGDLDMYSWRORC-WOPDTQHZSA-N 2 0 280.372 -0.935 20 0 CBADRP C[NH+](C)CC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000517933417 260320711 /nfs/dbraw/zinc/32/07/11/260320711.db2.gz DKTQFINRKOCICK-NSHDSACASA-N 2 0 255.362 -0.238 20 0 CBADRP CC[C@@](C)(C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)OC ZINC000521031012 262199698 /nfs/dbraw/zinc/19/96/98/262199698.db2.gz MKWDYOREARSURX-KGLIPLIRSA-N 2 0 273.421 -0.001 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000518997449 265288674 /nfs/dbraw/zinc/28/86/74/265288674.db2.gz XKOXPMUBEKZMLM-ZDUSSCGKSA-N 2 0 268.405 -0.308 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])CC(C)C ZINC000519609353 265494277 /nfs/dbraw/zinc/49/42/77/265494277.db2.gz NYHYNPULNIASLS-UWVGGRQHSA-N 2 0 259.350 -0.244 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000519641445 265512471 /nfs/dbraw/zinc/51/24/71/265512471.db2.gz GIAPEOVSFLORDG-DGCLKSJQSA-N 2 0 255.362 -0.048 20 0 CBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000226943484 269576698 /nfs/dbraw/zinc/57/66/98/269576698.db2.gz IEOVCMRUMLQUTG-YNEHKIRRSA-N 2 0 267.373 -0.204 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000516768668 269591555 /nfs/dbraw/zinc/59/15/55/269591555.db2.gz PXFKBEBADHAMNM-MNOVXSKESA-N 2 0 282.388 -0.641 20 0 CBADRP C[NH2+]C[C@@](C)(O)CN1CC[NH+](C(C)(C)COC)CC1 ZINC000516975619 269593530 /nfs/dbraw/zinc/59/35/30/269593530.db2.gz YAIJYIMTBCLZQU-CQSZACIVSA-N 2 0 273.421 -0.001 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529336579 269631372 /nfs/dbraw/zinc/63/13/72/269631372.db2.gz CXGUXFYQHDZNQZ-UTUOFQBUSA-N 2 0 270.377 -0.209 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419992107 276096680 /nfs/dbraw/zinc/09/66/80/276096680.db2.gz HLEUKWDKYSRMKZ-LBPRGKRZSA-N 2 0 286.420 -0.066 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000418922135 276106880 /nfs/dbraw/zinc/10/68/80/276106880.db2.gz DLFBLNQHBVAKRU-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C[NH+](C)C)C2)CC1 ZINC000359318057 276197589 /nfs/dbraw/zinc/19/75/89/276197589.db2.gz VGHDEFOPXIEKTP-CYBMUJFWSA-N 2 0 268.405 -0.214 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000420156765 276268539 /nfs/dbraw/zinc/26/85/39/276268539.db2.gz NURHFJSUHXIMEE-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418949231 276329574 /nfs/dbraw/zinc/32/95/74/276329574.db2.gz ROWUJABJMVPAKE-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000423611172 276340816 /nfs/dbraw/zinc/34/08/16/276340816.db2.gz RWZVOMNMOGYCNR-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419853957 276366312 /nfs/dbraw/zinc/36/63/12/276366312.db2.gz OILNXLCVPIOECO-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP CNC(=O)C[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000361208238 277001376 /nfs/dbraw/zinc/00/13/76/277001376.db2.gz HTVCVPVTDVDPBT-VXGBXAGGSA-N 2 0 256.394 -0.264 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000419973766 277025630 /nfs/dbraw/zinc/02/56/30/277025630.db2.gz IJEFZKQPHHBIAX-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419689198 277040763 /nfs/dbraw/zinc/04/07/63/277040763.db2.gz ACZVNMSKRSNIIM-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343995305 277264674 /nfs/dbraw/zinc/26/46/74/277264674.db2.gz YPAAMQCFTRONAG-KFWWJZLASA-N 2 0 285.432 -0.049 20 0 CBADRP CC(C)(CC(N)=O)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000348800963 277295307 /nfs/dbraw/zinc/29/53/07/277295307.db2.gz QXKRTWJADHZFNX-UHFFFAOYSA-N 2 0 296.415 -0.027 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000514935787 277662962 /nfs/dbraw/zinc/66/29/62/277662962.db2.gz CRZROBIUSANDMG-LBPRGKRZSA-N 2 0 284.404 -0.251 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000419121553 277907854 /nfs/dbraw/zinc/90/78/54/277907854.db2.gz AUVUFWOGKFSFHP-WDEREUQCSA-N 2 0 272.393 -0.458 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)CCC[N@@H+]1C ZINC000343294744 278083589 /nfs/dbraw/zinc/08/35/89/278083589.db2.gz JOSFMTYKMVODLU-YPMHNXCESA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419695484 278182676 /nfs/dbraw/zinc/18/26/76/278182676.db2.gz MXOJABNGGWKERU-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000341667886 278193058 /nfs/dbraw/zinc/19/30/58/278193058.db2.gz UQGNBKAFLZYBKU-OCCSQVGLSA-N 2 0 287.404 -0.617 20 0 CBADRP CC1(C)CN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC[NH2+]1 ZINC000332702627 278292726 /nfs/dbraw/zinc/29/27/26/278292726.db2.gz YJKMMWLOWPNWHF-LBPRGKRZSA-N 2 0 294.399 -0.497 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)C[C@H](C)[NH2+]1 ZINC000423515631 278391370 /nfs/dbraw/zinc/39/13/70/278391370.db2.gz FVWUOOHUPVVNSO-RYUDHWBXSA-N 2 0 296.415 -0.252 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC[NH2+]1 ZINC000331881187 278633400 /nfs/dbraw/zinc/63/34/00/278633400.db2.gz NRIWESBWQVQSQA-LLVKDONJSA-N 2 0 282.388 -0.593 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419996473 278857177 /nfs/dbraw/zinc/85/71/77/278857177.db2.gz NJTRDRQMCVWTJS-LBPRGKRZSA-N 2 0 286.420 -0.114 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000342982919 288087524 /nfs/dbraw/zinc/08/75/24/288087524.db2.gz IBOXPNPHCPFSTL-MDZLAQPJSA-N 2 0 257.378 -0.387 20 0 CBADRP CC[N@H+](C)CCNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000171726499 279030390 /nfs/dbraw/zinc/03/03/90/279030390.db2.gz ZYYACYDWNCIPNP-ZDUSSCGKSA-N 2 0 285.436 -0.127 20 0 CBADRP CC[N@H+](CC(=O)NCCN1CC[NH+](C)CC1)C1CC1 ZINC000442900336 279054693 /nfs/dbraw/zinc/05/46/93/279054693.db2.gz MJELHADXYJNJFI-UHFFFAOYSA-N 2 0 268.405 -0.166 20 0 CBADRP CC[NH+](CC)CCCNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000416825036 279097909 /nfs/dbraw/zinc/09/79/09/279097909.db2.gz YPLPWPKJIANHHD-ZDUSSCGKSA-N 2 0 285.436 -0.079 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419718933 279105101 /nfs/dbraw/zinc/10/51/01/279105101.db2.gz BUDGOHGTZUTHAE-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[NH+](CC)CCS(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000340051721 279112389 /nfs/dbraw/zinc/11/23/89/279112389.db2.gz OLJFXOHIWQAHMC-LBPRGKRZSA-N 2 0 295.449 -0.440 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000418952044 279114538 /nfs/dbraw/zinc/11/45/38/279114538.db2.gz UWPZMMZGYKSPNQ-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418948350 279126471 /nfs/dbraw/zinc/12/64/71/279126471.db2.gz QLZCRWGTRZOUIW-XQQFMLRXSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH2+]C)C2)C1 ZINC000423054623 279148603 /nfs/dbraw/zinc/14/86/03/279148603.db2.gz BXQABBWMMHSASM-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)C1CC1 ZINC000419522439 279189967 /nfs/dbraw/zinc/18/99/67/279189967.db2.gz MKUYZDBKPCIREE-HNNXBMFYSA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)C[C@](C)(C[NH3+])NC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000351993839 279235546 /nfs/dbraw/zinc/23/55/46/279235546.db2.gz LANMXYCUWRVEIC-TZMCWYRMSA-N 2 0 286.420 -0.034 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000349029321 288115440 /nfs/dbraw/zinc/11/54/40/288115440.db2.gz QLTSJAQAXIMMOT-MFKMUULPSA-N 2 0 267.373 -0.036 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000419593073 279268383 /nfs/dbraw/zinc/26/83/83/279268383.db2.gz SNFPWNKUGGDGOI-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419593101 279268395 /nfs/dbraw/zinc/26/83/95/279268395.db2.gz SPAOLBXSGVWGSZ-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000262335008 279269078 /nfs/dbraw/zinc/26/90/78/279269078.db2.gz BPNGNSAMYUOINB-SNVBAGLBSA-N 2 0 256.350 -0.948 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000459938607 279283162 /nfs/dbraw/zinc/28/31/62/279283162.db2.gz ZSYCIVQPNOSEMV-UHFFFAOYSA-N 2 0 284.404 -0.439 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2C[C@H](C)[C@H]([NH3+])C2)CC1 ZINC000331467374 279283637 /nfs/dbraw/zinc/28/36/37/279283637.db2.gz NREWFTOMAVMCEH-NWDGAFQWSA-N 2 0 282.388 -0.654 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)COC1C[NH2+]C1 ZINC000430730874 279297298 /nfs/dbraw/zinc/29/72/98/279297298.db2.gz UBQJOYRGBVXWIZ-LLVKDONJSA-N 2 0 255.362 -0.083 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000331698058 279323286 /nfs/dbraw/zinc/32/32/86/279323286.db2.gz VDSIGEZSXFKIDL-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351522903 279324874 /nfs/dbraw/zinc/32/48/74/279324874.db2.gz MMIPCGXYWPYNTL-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[N@H+](C)C1CC1 ZINC000419590820 279325217 /nfs/dbraw/zinc/32/52/17/279325217.db2.gz QLTOZZWVBUPBAL-WDEREUQCSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@@H]1C[NH2+]CCN1C ZINC000423500854 288123854 /nfs/dbraw/zinc/12/38/54/288123854.db2.gz DBCVWDJQUYZWJU-XBFCOCLRSA-N 2 0 252.406 -0.038 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000367407625 279351534 /nfs/dbraw/zinc/35/15/34/279351534.db2.gz IIAZKAHJOJRCJD-ZDUSSCGKSA-N 2 0 268.405 -0.167 20 0 CBADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418202468 279380279 /nfs/dbraw/zinc/38/02/79/279380279.db2.gz UGZAKOCVHLNFCU-STQMWFEESA-N 2 0 285.436 -0.082 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418758766 279430305 /nfs/dbraw/zinc/43/03/05/279430305.db2.gz IRRRSTQQBGKXFQ-CYBMUJFWSA-N 2 0 285.436 -0.128 20 0 CBADRP C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)C[N@@H+]1C1CC1 ZINC000178867380 280006057 /nfs/dbraw/zinc/00/60/57/280006057.db2.gz NQPLSGXMZDNHIN-NHCYSSNCSA-N 2 0 253.346 -0.284 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CC[NH3+] ZINC000419528940 280097217 /nfs/dbraw/zinc/09/72/17/280097217.db2.gz XCRISCNIECYDTC-SNVBAGLBSA-N 2 0 258.366 -0.750 20 0 CBADRP O=C1NC(=O)N2CC[N@H+](CC3CC[NH2+]CC3)C[C@H]12 ZINC000346992746 280279320 /nfs/dbraw/zinc/27/93/20/280279320.db2.gz TXFCBXXIACNDHD-SNVBAGLBSA-N 2 0 252.318 -0.778 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000419968157 280283026 /nfs/dbraw/zinc/28/30/26/280283026.db2.gz AJSUCUHQBDHUML-GFCCVEGCSA-N 2 0 286.420 -0.116 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@H](C[NH3+])OC)CC[N@@H+]1C[C@@H](C)O ZINC000353434690 280375355 /nfs/dbraw/zinc/37/53/55/280375355.db2.gz VQCPHLIZEHEHNH-UTUOFQBUSA-N 2 0 273.377 -0.736 20 0 CBADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000353210733 280479986 /nfs/dbraw/zinc/47/99/86/280479986.db2.gz ZYKQBLIWHQLUHD-TZMCWYRMSA-N 2 0 296.415 -0.489 20 0 CBADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)N(CC[NH3+])CCO ZINC000418636408 280993971 /nfs/dbraw/zinc/99/39/71/280993971.db2.gz IIYNCIXDDGTPNL-LLVKDONJSA-N 2 0 272.393 -0.273 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000332578855 288300306 /nfs/dbraw/zinc/30/03/06/288300306.db2.gz AMSGJANYSAUXOS-JHJVBQTASA-N 2 0 294.399 -0.369 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000515224659 288300938 /nfs/dbraw/zinc/30/09/38/288300938.db2.gz WYSMKDYLTXDPPL-RTXFEEFZSA-N 2 0 294.399 -0.465 20 0 CBADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCCC[NH3+] ZINC000419831123 288314673 /nfs/dbraw/zinc/31/46/73/288314673.db2.gz LITWJYBNGDMBOC-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000251900787 288310397 /nfs/dbraw/zinc/31/03/97/288310397.db2.gz WJLMKNXWCWQJID-WOPDTQHZSA-N 2 0 253.346 -0.330 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NC1C[NH2+]C1 ZINC000372573132 281461316 /nfs/dbraw/zinc/46/13/16/281461316.db2.gz QVQXLLWRVKNHSR-GIPNMCIBSA-N 2 0 253.346 -0.393 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CCC1 ZINC000419249582 282027001 /nfs/dbraw/zinc/02/70/01/282027001.db2.gz ZGBHSNQEMZLJBP-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP COCC[C@@]1(C(=O)NC[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000370789254 292660403 /nfs/dbraw/zinc/66/04/03/292660403.db2.gz WEMXQQAPACQJEO-YPMHNXCESA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCC1 ZINC000419242494 289043656 /nfs/dbraw/zinc/04/36/56/289043656.db2.gz RBJNGNQUGHBHJC-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CCC[N@@H+]1C ZINC000419538916 289049170 /nfs/dbraw/zinc/04/91/70/289049170.db2.gz AKSYXKULUXRDCZ-JHJVBQTASA-N 2 0 296.415 -0.075 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340510621 289126937 /nfs/dbraw/zinc/12/69/37/289126937.db2.gz OQEOPLXHYOLOBW-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000423742125 289137922 /nfs/dbraw/zinc/13/79/22/289137922.db2.gz INUNFUJAIBLITB-KBPBESRZSA-N 2 0 299.415 -0.066 20 0 CBADRP C[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCC[NH2+]C1 ZINC000353592951 289140058 /nfs/dbraw/zinc/14/00/58/289140058.db2.gz UNPSGXNZANBRER-SWLSCSKDSA-N 2 0 296.415 -0.168 20 0 CBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)COC1C[NH2+]C1 ZINC000423739440 289142062 /nfs/dbraw/zinc/14/20/62/289142062.db2.gz FTZIGGSAIGZETR-GFCCVEGCSA-N 2 0 285.388 -0.456 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000423764958 289200003 /nfs/dbraw/zinc/20/00/03/289200003.db2.gz WIKCYYJHAPDHEE-NEPJUHHUSA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000343842024 289200017 /nfs/dbraw/zinc/20/00/17/289200017.db2.gz AIBLOBXFOFDHLD-VXGBXAGGSA-N 2 0 255.362 -0.225 20 0 CBADRP COCC[C@]1(C(=O)NCCCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000376527219 292725457 /nfs/dbraw/zinc/72/54/57/292725457.db2.gz NHMYGBHUMMESOO-OAHLLOKOSA-N 2 0 298.431 -0.586 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000420066183 289290627 /nfs/dbraw/zinc/29/06/27/289290627.db2.gz QSKCUMCUJXPVHR-NEPJUHHUSA-N 2 0 282.388 -0.608 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000419895602 289290637 /nfs/dbraw/zinc/29/06/37/289290637.db2.gz MPHBQKXFKPPXJH-JHJVBQTASA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000419860519 289290652 /nfs/dbraw/zinc/29/06/52/289290652.db2.gz KYQBWJYUVMUBPY-NEPJUHHUSA-N 2 0 282.388 -0.608 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000424169022 289295096 /nfs/dbraw/zinc/29/50/96/289295096.db2.gz GPOXQEGLLJITAF-VXGBXAGGSA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000351540976 289352995 /nfs/dbraw/zinc/35/29/95/289352995.db2.gz OVALZTYZYPNYRI-VXGBXAGGSA-N 2 0 282.388 -0.689 20 0 CBADRP CN(C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333369664 289374752 /nfs/dbraw/zinc/37/47/52/289374752.db2.gz MFYLEBYETJHEJX-VOAKCMCISA-N 2 0 284.404 -0.167 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419133416 289376797 /nfs/dbraw/zinc/37/67/97/289376797.db2.gz GSBMXLHOUIFQKG-XQQFMLRXSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000332314498 289376854 /nfs/dbraw/zinc/37/68/54/289376854.db2.gz NJPJGENRJJGSKN-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423213011 289648470 /nfs/dbraw/zinc/64/84/70/289648470.db2.gz MNXYVOBGYVXKGN-UHFFFAOYSA-N 2 0 298.431 -0.016 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)C1([NH3+])CCCCC1 ZINC000449703646 290062273 /nfs/dbraw/zinc/06/22/73/290062273.db2.gz UMTMDNXLOYKDPM-NSHDSACASA-N 2 0 254.378 -0.332 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000449697395 290062326 /nfs/dbraw/zinc/06/23/26/290062326.db2.gz LYYHTUIWVJLFKM-KCQAQPDRSA-N 2 0 280.416 -0.214 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000418763218 290062426 /nfs/dbraw/zinc/06/24/26/290062426.db2.gz MPTLSZSYGWFNAN-ZDUSSCGKSA-N 2 0 292.387 -0.882 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](C)C1 ZINC000333893586 290101176 /nfs/dbraw/zinc/10/11/76/290101176.db2.gz YQYNOBYXYCNEKU-JZRPKSSGSA-N 2 0 282.388 -0.699 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC[NH2+]C1 ZINC000516286392 293268818 /nfs/dbraw/zinc/26/88/18/293268818.db2.gz OLBWRSMKDVZMEV-BZPMIXESSA-N 2 0 267.373 -0.177 20 0 CBADRP NC(=O)NC(=O)CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363256522 295072272 /nfs/dbraw/zinc/07/22/72/295072272.db2.gz LIELMUXHJJSXDX-WOPDTQHZSA-N 2 0 280.372 -0.013 20 0 CBADRP [NH3+]C1(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C2CC3CC(C2)CC1C3 ZINC000424043010 295208410 /nfs/dbraw/zinc/20/84/10/295208410.db2.gz MKGQQGPFSKXOIM-KBVVOZQPSA-N 2 0 293.411 -0.021 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CC[NH3+])C1 ZINC000430897917 295225370 /nfs/dbraw/zinc/22/53/70/295225370.db2.gz RZMZWKUUZHFQCO-SNVBAGLBSA-N 2 0 256.350 -0.961 20 0 CBADRP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000331682987 295252172 /nfs/dbraw/zinc/25/21/72/295252172.db2.gz UJIWPUCHGMWWNV-AVGNSLFASA-N 2 0 294.399 -0.321 20 0 CBADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000418297027 295266806 /nfs/dbraw/zinc/26/68/06/295266806.db2.gz KEYAZNZFMRBVGB-OLZOCXBDSA-N 2 0 283.420 -0.292 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377563008 295306945 /nfs/dbraw/zinc/30/69/45/295306945.db2.gz KSVNWRSEPTUFIE-FRRDWIJNSA-N 2 0 266.389 -0.380 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000424153890 295324609 /nfs/dbraw/zinc/32/46/09/295324609.db2.gz LVNVBJHSLNZIED-WUHRBBMRSA-N 2 0 294.399 -0.560 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000424140073 295324620 /nfs/dbraw/zinc/32/46/20/295324620.db2.gz AYDAHHLWGKUXLV-RWMBFGLXSA-N 2 0 267.373 -0.096 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000515224658 297092183 /nfs/dbraw/zinc/09/21/83/297092183.db2.gz WYSMKDYLTXDPPL-RAIGVLPGSA-N 2 0 294.399 -0.465 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000188213429 297095414 /nfs/dbraw/zinc/09/54/14/297095414.db2.gz WJLMKNXWCWQJID-IJLUTSLNSA-N 2 0 253.346 -0.330 20 0 CBADRP C[C@H](C(=O)NC(N)=O)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357089217 298132590 /nfs/dbraw/zinc/13/25/90/298132590.db2.gz YQGQLPKPFUPHFR-KOLCDFICSA-N 2 0 268.361 -0.109 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419419935 298558261 /nfs/dbraw/zinc/55/82/61/298558261.db2.gz JJHUZCKUYZGBAR-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CCC[NH2+]CC2)C[C@@H]1[NH+](C)C ZINC000124718516 300097107 /nfs/dbraw/zinc/09/71/07/300097107.db2.gz IVPBLLOWFNAMES-RYUDHWBXSA-N 2 0 282.388 -0.783 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000424184184 300216071 /nfs/dbraw/zinc/21/60/71/300216071.db2.gz XFCGFDWDLYHNRE-SDDRHHMPSA-N 2 0 255.362 -0.227 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000333138451 300235088 /nfs/dbraw/zinc/23/50/88/300235088.db2.gz CRABTDIBMDSFMG-WCQYABFASA-N 2 0 294.399 -0.147 20 0 CBADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCN1S(C)(=O)=O ZINC000346969369 300252606 /nfs/dbraw/zinc/25/26/06/300252606.db2.gz FHHOQUBZIUMTNQ-NSHDSACASA-N 2 0 275.418 -0.048 20 0 CBADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000343638921 300702987 /nfs/dbraw/zinc/70/29/87/300702987.db2.gz KJDAUNWGYRBBIQ-NWDGAFQWSA-N 2 0 277.372 -0.090 20 0 CBADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000417841850 300819498 /nfs/dbraw/zinc/81/94/98/300819498.db2.gz PGHOVNXSRSHAFS-LOWVWBTDSA-N 2 0 255.362 -0.001 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C3(C)C[NH2+]C3)C[C@H]2[NH3+])cn1 ZINC000333656211 302924620 /nfs/dbraw/zinc/92/46/20/302924620.db2.gz ZWQXWXKFFPDFHD-WDEREUQCSA-N 2 0 263.345 -0.717 20 0 CBADRP NC(=O)NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000125353883 303268646 /nfs/dbraw/zinc/26/86/46/303268646.db2.gz YWAPKDCRXBNIAW-LPEHRKFASA-N 2 0 254.334 -0.369 20 0 CBADRP [NH3+][C@H]1CCC[C@@]12CCN(C(=O)[C@H]1C[NH2+]CCO1)C2 ZINC000365106534 303485120 /nfs/dbraw/zinc/48/51/20/303485120.db2.gz VKTIICYFAOUGOL-MDZLAQPJSA-N 2 0 253.346 -0.295 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000368561130 303651946 /nfs/dbraw/zinc/65/19/46/303651946.db2.gz JZGAEQRMHZPWLV-GXTWGEPZSA-N 2 0 267.373 -0.033 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000575312647 335092412 /nfs/dbraw/zinc/09/24/12/335092412.db2.gz ZNNAMJBHZXFCNW-DTWKUNHWSA-N 2 0 254.334 -0.701 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000575312649 335092504 /nfs/dbraw/zinc/09/25/04/335092504.db2.gz ZNNAMJBHZXFCNW-RKDXNWHRSA-N 2 0 254.334 -0.701 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C[C@H]3COCC[NH2+]3)C[C@@H]12 ZINC000562976781 327731364 /nfs/dbraw/zinc/73/13/64/327731364.db2.gz QUJMUEYPEDGRJA-WRWGMCAJSA-N 2 0 253.346 -0.439 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCCC[NH3+] ZINC000583452442 327856656 /nfs/dbraw/zinc/85/66/56/327856656.db2.gz JOMIDIHPGQCLBD-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000563086675 327912398 /nfs/dbraw/zinc/91/23/98/327912398.db2.gz AXLPPERENKTBTN-WDEREUQCSA-N 2 0 268.361 -0.935 20 0 CBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000563093062 327922202 /nfs/dbraw/zinc/92/22/02/327922202.db2.gz XNVJFYQGOUYLIE-DGCLKSJQSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000563108434 327924856 /nfs/dbraw/zinc/92/48/56/327924856.db2.gz FGEMYEQAHNVINQ-NXEZZACHSA-N 2 0 266.349 -0.503 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000563109070 327925058 /nfs/dbraw/zinc/92/50/58/327925058.db2.gz WDWFPFMPTQRVEH-GHMZBOCLSA-N 2 0 278.360 -0.536 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000563144891 327929823 /nfs/dbraw/zinc/92/98/23/327929823.db2.gz UFKZWBBSWWRNEL-QJPTWQEYSA-N 2 0 284.404 -0.362 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000563143923 327929854 /nfs/dbraw/zinc/92/98/54/327929854.db2.gz ZLGCARBCUFZDBI-LBPRGKRZSA-N 2 0 272.393 -0.410 20 0 CBADRP C[C@@H](CCC[NH3+])NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000563208896 327965099 /nfs/dbraw/zinc/96/50/99/327965099.db2.gz FGWYAZFDZRRFHI-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]1CN(C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[C@@]1(C)C[NH3+] ZINC000571062883 327994686 /nfs/dbraw/zinc/99/46/86/327994686.db2.gz FRDDHJBRRABQQP-MPPDQPJWSA-N 2 0 270.377 -0.712 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CCN(C(C)(C)C(N)=O)CC1 ZINC000563351363 328057113 /nfs/dbraw/zinc/05/71/13/328057113.db2.gz ZMCOOAFFCZJCGM-LBPRGKRZSA-N 2 0 286.420 -0.820 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000563457544 328067882 /nfs/dbraw/zinc/06/78/82/328067882.db2.gz LFILEQYNFVCRDR-AVGNSLFASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000563534966 328072342 /nfs/dbraw/zinc/07/23/42/328072342.db2.gz MOLGKMMSUSJDCQ-NXEZZACHSA-N 2 0 263.345 -0.080 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000563584135 328074793 /nfs/dbraw/zinc/07/47/93/328074793.db2.gz KMQFOYAZZMRZEQ-ZDUSSCGKSA-N 2 0 282.388 -0.074 20 0 CBADRP CCC[NH+]1CCC(CNC(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000563611086 328076761 /nfs/dbraw/zinc/07/67/61/328076761.db2.gz HAPLJFCUVKDBJV-UHFFFAOYSA-N 2 0 282.388 -0.687 20 0 CBADRP O=C(C[NH2+]C1CC1)NCCC[NH+]1CCC(O)CC1 ZINC000571162499 328089529 /nfs/dbraw/zinc/08/95/29/328089529.db2.gz CJKNNXHRSZLOLV-UHFFFAOYSA-N 2 0 255.362 -0.299 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000571163187 328089588 /nfs/dbraw/zinc/08/95/88/328089588.db2.gz WPHYZMYRQCBOCM-MNOVXSKESA-N 2 0 280.376 -0.242 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000571282356 328097561 /nfs/dbraw/zinc/09/75/61/328097561.db2.gz KZUPQOKFERXWLR-NWDGAFQWSA-N 2 0 253.346 -0.330 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000571283967 328097676 /nfs/dbraw/zinc/09/76/76/328097676.db2.gz JQBTWOURADSYPQ-GRYCIOLGSA-N 2 0 284.404 -0.171 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@@]2(COC)CC[NH2+]C2)CC1 ZINC000571320708 328105116 /nfs/dbraw/zinc/10/51/16/328105116.db2.gz NXFIPDMNDSEIBG-HNNXBMFYSA-N 2 0 299.415 -0.161 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000571313393 328103976 /nfs/dbraw/zinc/10/39/76/328103976.db2.gz XJIURKSUGBGQII-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000571336079 328111456 /nfs/dbraw/zinc/11/14/56/328111456.db2.gz IYJLJFYLSJEDRO-ZDUSSCGKSA-N 2 0 283.420 -0.340 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000571396132 328118477 /nfs/dbraw/zinc/11/84/77/328118477.db2.gz GLOYMDPYBSDLRU-SRVKXCTJSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000571521953 328131138 /nfs/dbraw/zinc/13/11/38/328131138.db2.gz IQVJRURJMGMILP-NSHDSACASA-N 2 0 251.334 -0.062 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCNc2cc[nH+]cc2)C1 ZINC000571555831 328133553 /nfs/dbraw/zinc/13/35/53/328133553.db2.gz BXQFCCLHLXTMCN-NWDGAFQWSA-N 2 0 264.329 -0.592 20 0 CBADRP [NH3+]CC[C@H]1CCCCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000571642786 328180110 /nfs/dbraw/zinc/18/01/10/328180110.db2.gz HTPYAEYRIRIDGK-OLZOCXBDSA-N 2 0 296.415 -0.025 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000583142552 329321502 /nfs/dbraw/zinc/32/15/02/329321502.db2.gz DJTKFRBLQAAFFM-MDZLAQPJSA-N 2 0 252.362 -0.994 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC(C)(C)C(C)(C)O)CC1 ZINC000583930328 326800016 /nfs/dbraw/zinc/80/00/16/326800016.db2.gz ZTUOTVLMVUGXPQ-ZDUSSCGKSA-N 2 0 287.448 -0.019 20 0 CBADRP COCC[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000583946444 326804628 /nfs/dbraw/zinc/80/46/28/326804628.db2.gz BFACUJXUGQLVOH-LBPRGKRZSA-N 2 0 270.377 -0.242 20 0 CBADRP CC(C)[C@@H](C(=O)NCCN1CC[NH+](C)CC1)[C@H](C)[NH3+] ZINC000399545896 326807398 /nfs/dbraw/zinc/80/73/98/326807398.db2.gz BQSPJKOQAOJXSS-QWHCGFSZSA-N 2 0 270.421 -0.031 20 0 CBADRP C[NH2+][C@H](C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)c1cnn(C)c1 ZINC000583993427 326834051 /nfs/dbraw/zinc/83/40/51/326834051.db2.gz BDYUCPQNIGJAQS-MIMYLULJSA-N 2 0 251.334 -0.514 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000557297410 327000880 /nfs/dbraw/zinc/00/08/80/327000880.db2.gz JYDPISBQVKBBOT-GHMZBOCLSA-N 2 0 282.388 -0.689 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CCC(O)(COC)CC1 ZINC000576000032 327007539 /nfs/dbraw/zinc/00/75/39/327007539.db2.gz SFKXGLXUOGWYQG-LBPRGKRZSA-N 2 0 260.378 -0.228 20 0 CBADRP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000584112044 327009525 /nfs/dbraw/zinc/00/95/25/327009525.db2.gz JUMFUYJZJPWOOP-NOZJJQNGSA-N 2 0 291.359 -0.848 20 0 CBADRP CO[C@@](C)(C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C1CC1 ZINC000568993394 327027584 /nfs/dbraw/zinc/02/75/84/327027584.db2.gz LCDQQGYTCFNUMJ-GJZGRUSLSA-N 2 0 285.432 -0.001 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)CCOCC1 ZINC000569107136 327034666 /nfs/dbraw/zinc/03/46/66/327034666.db2.gz VVHJRKTUAILPKE-PHIMTYICSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]1CN(CCC(=O)N2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000576636978 327036752 /nfs/dbraw/zinc/03/67/52/327036752.db2.gz NKGAOYPADQUFHY-RYUDHWBXSA-N 2 0 254.378 -0.510 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H](CC[NH3+])C(F)F)CC1 ZINC000584175235 327058572 /nfs/dbraw/zinc/05/85/72/327058572.db2.gz OFYFAZRYVZHRPS-JTQLQIEISA-N 2 0 278.347 -0.277 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N(C)C2CC([NH3+])C2)CC1 ZINC000584175383 327058597 /nfs/dbraw/zinc/05/85/97/327058597.db2.gz WGRVMOFDKAVOKY-UHFFFAOYSA-N 2 0 268.405 -0.038 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000569236318 327064395 /nfs/dbraw/zinc/06/43/95/327064395.db2.gz JCEQRTWBQYJVEG-MNOVXSKESA-N 2 0 271.361 -0.277 20 0 CBADRP CC(C)[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC[N@@H+]1C ZINC000584221966 327066359 /nfs/dbraw/zinc/06/63/59/327066359.db2.gz MJAVKGAISOAEIJ-KGLIPLIRSA-N 2 0 297.447 -0.128 20 0 CBADRP C[NH+](C)C[C@@H]1CCCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000569240041 327069875 /nfs/dbraw/zinc/06/98/75/327069875.db2.gz GIHKBTINJIYRLC-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP O=C(NCCC[NH2+]C1CC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000565952094 327095359 /nfs/dbraw/zinc/09/53/59/327095359.db2.gz LUYLHPQHZKMAGZ-GFCCVEGCSA-N 2 0 292.387 -0.098 20 0 CBADRP COC(=O)[C@H]1CN(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000573220105 327128161 /nfs/dbraw/zinc/12/81/61/327128161.db2.gz YBUJLXSTYAOMHD-STQMWFEESA-N 2 0 297.399 -0.109 20 0 CBADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000566087936 327131293 /nfs/dbraw/zinc/13/12/93/327131293.db2.gz GCHHSVSWDNTOKL-AAEUAGOBSA-N 2 0 266.389 -0.510 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000566179886 327157926 /nfs/dbraw/zinc/15/79/26/327157926.db2.gz VZNYNQQPVYFLRM-DZGCQCFKSA-N 2 0 298.431 -0.635 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](C)CC1(C)C ZINC000569375444 327168680 /nfs/dbraw/zinc/16/86/80/327168680.db2.gz SDRRIYSIEMHZFD-CYBMUJFWSA-N 2 0 273.421 -0.049 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000569449094 327179084 /nfs/dbraw/zinc/17/90/84/327179084.db2.gz MWXBNVXAWNOOMQ-WZRBSPASSA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000569457807 327180459 /nfs/dbraw/zinc/18/04/59/327180459.db2.gz CGMIGXKFEYNRHP-ITGUQSILSA-N 2 0 283.420 -0.661 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000569481226 327184036 /nfs/dbraw/zinc/18/40/36/327184036.db2.gz ARBQNJXUFJQDDZ-QJPTWQEYSA-N 2 0 282.388 -0.560 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000569482190 327184157 /nfs/dbraw/zinc/18/41/57/327184157.db2.gz BEJZVHTVJQZNOT-NEPJUHHUSA-N 2 0 285.388 -0.029 20 0 CBADRP C[C@@H](NC(=O)[C@H]1CC[NH2+]C1)C(=O)NCC[NH+]1CCCCC1 ZINC000564937288 327195363 /nfs/dbraw/zinc/19/53/63/327195363.db2.gz QQFZDLHSAXBAQP-OLZOCXBDSA-N 2 0 296.415 -0.297 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000573564746 327197950 /nfs/dbraw/zinc/19/79/50/327197950.db2.gz NAOZQLPBYJAAGI-CQSZACIVSA-N 3 0 297.447 -0.789 20 0 CBADRP NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000569576731 327200743 /nfs/dbraw/zinc/20/07/43/327200743.db2.gz CYDGAYZHMBRBDF-VHSXEESVSA-N 2 0 254.334 -0.497 20 0 CBADRP NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569576729 327200778 /nfs/dbraw/zinc/20/07/78/327200778.db2.gz CYDGAYZHMBRBDF-NXEZZACHSA-N 2 0 254.334 -0.497 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564657609 327201054 /nfs/dbraw/zinc/20/10/54/327201054.db2.gz KRQHTHZJPXIMKP-GWCFXTLKSA-N 2 0 269.345 -0.521 20 0 CBADRP CC(C)[C@H](C(=O)N1CCC(O)(C[NH3+])CC1)[NH+](C)C ZINC000569608541 327209819 /nfs/dbraw/zinc/20/98/19/327209819.db2.gz KDYANOODRMLTGM-LLVKDONJSA-N 2 0 257.378 -0.115 20 0 CBADRP CC[C@H](O)[C@H](CC)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000566232235 327251953 /nfs/dbraw/zinc/25/19/53/327251953.db2.gz ZUNRDPNTVMBVSL-IHRRRGAJSA-N 2 0 273.421 -0.266 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000566252289 327262978 /nfs/dbraw/zinc/26/29/78/327262978.db2.gz WVZYNSWWMGZJBC-ZFWWWQNUSA-N 2 0 296.415 -0.312 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000564957415 327264858 /nfs/dbraw/zinc/26/48/58/327264858.db2.gz JNMWUZVAVXSCNO-RWMBFGLXSA-N 2 0 294.399 -0.641 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000573968183 327276071 /nfs/dbraw/zinc/27/60/71/327276071.db2.gz IIJCIZBFFZARKO-TUAOUCFPSA-N 2 0 282.388 -0.430 20 0 CBADRP CC(C)[C@](C)(C[NH3+])NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000583382027 327335286 /nfs/dbraw/zinc/33/52/86/327335286.db2.gz CAQKDPRUGAAUNQ-GWCFXTLKSA-N 2 0 270.377 -0.656 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000578443048 327341960 /nfs/dbraw/zinc/34/19/60/327341960.db2.gz UFIMNROMVMAYJV-HBNTYKKESA-N 2 0 272.393 -0.315 20 0 CBADRP CC1(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C[NH2+]C1 ZINC000578747123 327349463 /nfs/dbraw/zinc/34/94/63/327349463.db2.gz IBRLGGCSGBMVHB-LLVKDONJSA-N 2 0 267.373 -0.190 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000574574527 327350917 /nfs/dbraw/zinc/35/09/17/327350917.db2.gz GGWBHUQXKQZITG-GYSYKLTISA-N 2 0 280.372 -0.806 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000578988912 327354136 /nfs/dbraw/zinc/35/41/36/327354136.db2.gz REWDJEXUWMNMFG-WDEREUQCSA-N 2 0 284.404 -0.171 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000579256943 327360831 /nfs/dbraw/zinc/36/08/31/327360831.db2.gz LAJHSSSIZJKWAB-TZMCWYRMSA-N 2 0 267.373 -0.347 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000579370333 327364502 /nfs/dbraw/zinc/36/45/02/327364502.db2.gz FSQNLESYHYTTOD-STQMWFEESA-N 2 0 268.405 -0.038 20 0 CBADRP O=C(CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)N1CC[NH2+]CC1 ZINC000561181756 327372080 /nfs/dbraw/zinc/37/20/80/327372080.db2.gz QOTGSTSTHJSULQ-SWLSCSKDSA-N 2 0 294.399 -0.686 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000574771942 327377633 /nfs/dbraw/zinc/37/76/33/327377633.db2.gz YRXNSVBUDDZWTM-IJLUTSLNSA-N 2 0 297.403 -0.720 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[NH+](C)C ZINC000566497116 327399637 /nfs/dbraw/zinc/39/96/37/327399637.db2.gz XBTOBGWYDVHWFG-SRVKXCTJSA-N 2 0 282.388 -0.657 20 0 CBADRP C[C@@]1(CNC(=O)NCC(=O)N2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000572976858 327539283 /nfs/dbraw/zinc/53/92/83/327539283.db2.gz HUWKKYJHRIXUGT-CQSZACIVSA-N 2 0 297.403 -0.893 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000569809890 327549564 /nfs/dbraw/zinc/54/95/64/327549564.db2.gz BFVFLFRMDFFICA-RWMBFGLXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000570329673 327583731 /nfs/dbraw/zinc/58/37/31/327583731.db2.gz DUNIOMJGIYFWNF-GHMZBOCLSA-N 2 0 282.388 -0.560 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC(C)(C)CC[NH3+])CC1 ZINC000570336092 327584730 /nfs/dbraw/zinc/58/47/30/327584730.db2.gz SIFVCZXUMBENAJ-UHFFFAOYSA-N 2 0 256.394 -0.133 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000570399869 327589016 /nfs/dbraw/zinc/58/90/16/327589016.db2.gz NZGBYZPQPLWSBV-NFAWXSAZSA-N 2 0 280.416 -0.119 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000570515138 327596576 /nfs/dbraw/zinc/59/65/76/327596576.db2.gz HHVZQHQUUKRQKZ-GHMZBOCLSA-N 2 0 271.361 -0.181 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](C)[NH2+]C)CC1 ZINC000570696724 327611918 /nfs/dbraw/zinc/61/19/18/327611918.db2.gz SGRCOVDITHUJQQ-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000584347717 328628258 /nfs/dbraw/zinc/62/82/58/328628258.db2.gz GDOBYWZFELCGER-CYBMUJFWSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCC(=O)OC)C1 ZINC000584350119 328730536 /nfs/dbraw/zinc/73/05/36/328730536.db2.gz OZMMKSLBGDIXBG-ZJUUUORDSA-N 2 0 257.334 -0.523 20 0 CBADRP COC1(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC[NH2+]CC1 ZINC000584351810 328731717 /nfs/dbraw/zinc/73/17/17/328731717.db2.gz MMMBNIKUKUWXQP-WDEREUQCSA-N 2 0 255.362 -0.049 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000571678452 328841039 /nfs/dbraw/zinc/84/10/39/328841039.db2.gz RCCQXWDGFWQZLN-BBBLOLIVSA-N 2 0 257.334 -0.524 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000582240781 328844675 /nfs/dbraw/zinc/84/46/75/328844675.db2.gz LTFBQRKKAOPRAX-UBBJOLNISA-N 2 0 279.384 -0.147 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582302444 328955239 /nfs/dbraw/zinc/95/52/39/328955239.db2.gz VKQXOPFREDDHKW-WFASDCNBSA-N 2 0 294.399 -0.543 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000583691909 328976203 /nfs/dbraw/zinc/97/62/03/328976203.db2.gz UMZUITVMJOJRFW-LPEHRKFASA-N 2 0 255.318 -0.913 20 0 CBADRP C[C@]1(C(=O)NCCC[NH+]2CCC(O)CC2)CC[NH2+]C1 ZINC000582545044 329105064 /nfs/dbraw/zinc/10/50/64/329105064.db2.gz KAJSZHADTDFRLJ-AWEZNQCLSA-N 2 0 269.389 -0.051 20 0 CBADRP CSC[C@H](O)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000582601730 329114176 /nfs/dbraw/zinc/11/41/76/329114176.db2.gz UHBGCOKKIMORJE-NWDGAFQWSA-N 2 0 261.435 -0.064 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000582604807 329114693 /nfs/dbraw/zinc/11/46/93/329114693.db2.gz GCDOBTFUULDGBU-QJPTWQEYSA-N 2 0 255.362 -0.192 20 0 CBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000582727071 329131647 /nfs/dbraw/zinc/13/16/47/329131647.db2.gz PQQCXXWECVAWMN-ZDEQEGDKSA-N 2 0 267.373 -0.443 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000582733569 329133423 /nfs/dbraw/zinc/13/34/23/329133423.db2.gz HBJBPIXRUOAHDV-OLZOCXBDSA-N 2 0 259.394 -0.439 20 0 CBADRP C[NH2+]CCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000582954550 329293373 /nfs/dbraw/zinc/29/33/73/329293373.db2.gz YOKABZLLKPLESY-UHFFFAOYSA-N 3 0 273.425 -0.269 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000583212376 329368629 /nfs/dbraw/zinc/36/86/29/329368629.db2.gz NAWBPFLEPDYHSZ-LBPRGKRZSA-N 2 0 257.378 -0.243 20 0 CBADRP CCC[C@](C)([NH3+])C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000583214717 329370440 /nfs/dbraw/zinc/37/04/40/329370440.db2.gz JFFPMAPJPDAVRJ-NRUUGDAUSA-N 2 0 268.361 -0.726 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@](C)(C[NH3+])C2)CC[NH2+]C1 ZINC000583258284 329404347 /nfs/dbraw/zinc/40/43/47/329404347.db2.gz RHMBUAZNOVEMSP-STQMWFEESA-N 2 0 255.362 -0.190 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000584416362 329463356 /nfs/dbraw/zinc/46/33/56/329463356.db2.gz ZVPXRPQULFPRFJ-UHFFFAOYSA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)OC(=O)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000583867113 329521783 /nfs/dbraw/zinc/52/17/83/329521783.db2.gz SDIBWTCYWQZDGF-ZDUSSCGKSA-N 2 0 287.404 -0.474 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000583871004 329522657 /nfs/dbraw/zinc/52/26/57/329522657.db2.gz DRFKGTIGSHEEFH-STQMWFEESA-N 2 0 268.405 -0.214 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000564082877 329668665 /nfs/dbraw/zinc/66/86/65/329668665.db2.gz GTUHPYPEIDIYAO-QWRGUYRKSA-N 2 0 268.361 -0.935 20 0 CBADRP C[C@@H](NC(=O)CC[NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000572876706 329926225 /nfs/dbraw/zinc/92/62/25/329926225.db2.gz VNMNXXLQTOKPIW-LLVKDONJSA-N 2 0 270.377 -0.558 20 0 CBADRP O=C(CC[C@H]1CC[NH2+]C1)NCCCN1CC[NH2+]CC1 ZINC000571998644 329935859 /nfs/dbraw/zinc/93/58/59/329935859.db2.gz PYMNHNKGNGIPSU-ZDUSSCGKSA-N 2 0 268.405 -0.212 20 0 CBADRP CN1CCN(C(=O)CC[NH+]2CCC([NH3+])CC2)CC1 ZINC000572364836 330005189 /nfs/dbraw/zinc/00/51/89/330005189.db2.gz YGRGYOWXZQDUOZ-UHFFFAOYSA-N 2 0 254.378 -0.426 20 0 CBADRP COC(=O)N(C)CCCC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000162430877 330029157 /nfs/dbraw/zinc/02/91/57/330029157.db2.gz JLUCFYYYARZQRC-LLVKDONJSA-N 2 0 286.376 -0.434 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000572406115 330064254 /nfs/dbraw/zinc/06/42/54/330064254.db2.gz FFSKWLKSCMFHDY-MNOVXSKESA-N 2 0 284.404 -0.266 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000574990083 330123234 /nfs/dbraw/zinc/12/32/34/330123234.db2.gz FMTAOUDGAKPBRQ-QWRGUYRKSA-N 2 0 269.345 -0.380 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000574990082 330123287 /nfs/dbraw/zinc/12/32/87/330123287.db2.gz FMTAOUDGAKPBRQ-MNOVXSKESA-N 2 0 269.345 -0.380 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000580445900 330139662 /nfs/dbraw/zinc/13/96/62/330139662.db2.gz LGTIXQQTQINWHH-TUAOUCFPSA-N 2 0 282.388 -0.417 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000575354441 335096963 /nfs/dbraw/zinc/09/69/63/335096963.db2.gz QJZAHELHTIBUFO-NEPJUHHUSA-N 2 0 268.405 -0.216 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3C[NH2+]C3)CC[C@H]21 ZINC000567573508 334372786 /nfs/dbraw/zinc/37/27/86/334372786.db2.gz ILHJUACESYKJNS-ZYHUDNBSSA-N 2 0 280.372 -0.983 20 0 CBADRP CC(C)[C@H](C(=O)NCC(=O)N1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000568989905 334849788 /nfs/dbraw/zinc/84/97/88/334849788.db2.gz XZPNMDNEJYMCGE-JQWIXIFHSA-N 2 0 270.377 -0.846 20 0 CBADRP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000575973682 335136702 /nfs/dbraw/zinc/13/67/02/335136702.db2.gz JWIMJEIRJBKOPP-CYBMUJFWSA-N 2 0 298.431 -0.066 20 0 CBADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000575973831 335136744 /nfs/dbraw/zinc/13/67/44/335136744.db2.gz XIWRNACIHSQEKY-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000575989493 335139047 /nfs/dbraw/zinc/13/90/47/335139047.db2.gz KTPLQZYOVKMZNP-JQWIXIFHSA-N 2 0 292.387 -0.100 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000576015629 335141815 /nfs/dbraw/zinc/14/18/15/335141815.db2.gz DPJGKNAGLPKHKB-YPMHNXCESA-N 2 0 294.399 -0.593 20 0 CBADRP CC[N@H+](C)CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000576035717 335143934 /nfs/dbraw/zinc/14/39/34/335143934.db2.gz VSADMHHEMKXPOG-NSHDSACASA-N 2 0 280.376 -0.288 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000576093638 335152268 /nfs/dbraw/zinc/15/22/68/335152268.db2.gz GRONUOOTROTOQU-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)CCC[NH3+] ZINC000576109588 335155663 /nfs/dbraw/zinc/15/56/63/335155663.db2.gz XIVWWROQCZPHJK-ONGXEEELSA-N 2 0 258.366 -0.671 20 0 CBADRP C[N@H+](C[C@@H](O)CNCCNC(=O)c1cccnc1)C1CC1 ZINC000576149302 335160711 /nfs/dbraw/zinc/16/07/11/335160711.db2.gz RVXBGDKELNRKIO-AWEZNQCLSA-N 2 0 292.383 -0.144 20 0 CBADRP C[N@H+](C[C@H](O)CNCCNC(=O)c1cccnc1)C1CC1 ZINC000576149303 335160783 /nfs/dbraw/zinc/16/07/83/335160783.db2.gz RVXBGDKELNRKIO-CQSZACIVSA-N 2 0 292.383 -0.144 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3C[NH2+]CCO3)[C@H]2C1 ZINC000576156811 335161628 /nfs/dbraw/zinc/16/16/28/335161628.db2.gz KJRNWAJXVFFSJM-UPJWGTAASA-N 2 0 267.373 -0.083 20 0 CBADRP C[NH+](C)CCN1CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC000564319630 334085713 /nfs/dbraw/zinc/08/57/13/334085713.db2.gz JPWWEDFLDXFNRZ-OAHLLOKOSA-N 2 0 295.431 -0.140 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000564334183 334128707 /nfs/dbraw/zinc/12/87/07/334128707.db2.gz CVHUVENFZBXONW-QJPTWQEYSA-N 2 0 284.404 -0.362 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3C[NH2+]C3)CC[C@@H]21 ZINC000567573507 334371438 /nfs/dbraw/zinc/37/14/38/334371438.db2.gz ILHJUACESYKJNS-PWSUYJOCSA-N 2 0 280.372 -0.983 20 0 CBADRP C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2cnn(C)c2)C[C@H](C)O1 ZINC000553458417 334386404 /nfs/dbraw/zinc/38/64/04/334386404.db2.gz ZSAONVHPQRPNSM-MBNYWOFBSA-N 2 0 282.388 -0.020 20 0 CBADRP C[NH+](C)Cc1ccc(CNC(=O)CNC(=O)C[NH3+])cc1 ZINC000554300681 334420595 /nfs/dbraw/zinc/42/05/95/334420595.db2.gz DUXQSTXSWFPPPN-UHFFFAOYSA-N 2 0 278.356 -0.561 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1CCC1 ZINC000556176591 334498352 /nfs/dbraw/zinc/49/83/52/334498352.db2.gz ALPFXCJVPXRCOY-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP CC[C@H](C)[C@@H](O)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000564656970 334515635 /nfs/dbraw/zinc/51/56/35/334515635.db2.gz OPGLJBMCBHERPW-MJBXVCDLSA-N 2 0 273.421 -0.409 20 0 CBADRP [NH3+][C@@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)C1CCC1 ZINC000564943645 334529666 /nfs/dbraw/zinc/52/96/66/334529666.db2.gz FJPZCGVAWJJDBP-SECBINFHSA-N 2 0 279.348 -0.720 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000565716004 334590651 /nfs/dbraw/zinc/59/06/51/334590651.db2.gz YHWYYRRIZYWASE-STQMWFEESA-N 2 0 262.357 -0.294 20 0 CBADRP CC(C)[C@@H](C(=O)NCCN1CC[NH2+]CC1)[C@@H](C)[NH3+] ZINC000565774025 334595834 /nfs/dbraw/zinc/59/58/34/334595834.db2.gz NHWUJCGLDQIGKL-VXGBXAGGSA-N 2 0 256.394 -0.373 20 0 CBADRP O=C(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)N1CC[NH2+]CC1 ZINC000566088494 334621300 /nfs/dbraw/zinc/62/13/00/334621300.db2.gz UTNOPWCGAPGBGW-MRVWCRGKSA-N 2 0 279.384 -0.035 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000566117847 334624895 /nfs/dbraw/zinc/62/48/95/334624895.db2.gz QPTYAEJJKAYXSN-KBPBESRZSA-N 2 0 273.421 -0.145 20 0 CBADRP CSCC[C@H]([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000566188713 334634089 /nfs/dbraw/zinc/63/40/89/334634089.db2.gz GPAOAZGBDKPJAO-RYUDHWBXSA-N 2 0 286.445 -0.427 20 0 CBADRP C[NH+](C)CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000566206229 334635646 /nfs/dbraw/zinc/63/56/46/334635646.db2.gz XTVRIEVAMOBQSH-SECBINFHSA-N 2 0 282.310 -0.500 20 0 CBADRP [NH3+]CC1(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCCC1 ZINC000566246824 334638131 /nfs/dbraw/zinc/63/81/31/334638131.db2.gz DCUKMNGFZKYYHV-JTQLQIEISA-N 2 0 268.361 -0.758 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000567109548 334681739 /nfs/dbraw/zinc/68/17/39/334681739.db2.gz OYRPMPZLDKGYHZ-BXUZGUMPSA-N 2 0 267.373 -0.312 20 0 CBADRP C[C@H]([NH3+])CCC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000567109054 334681745 /nfs/dbraw/zinc/68/17/45/334681745.db2.gz PXGQJLGUTLKAFG-QMMMGPOBSA-N 2 0 267.337 -0.720 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000567112004 334682253 /nfs/dbraw/zinc/68/22/53/334682253.db2.gz JJBQLHCRHIUHHY-RKDXNWHRSA-N 2 0 257.334 -0.476 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000567250422 334697903 /nfs/dbraw/zinc/69/79/03/334697903.db2.gz KJUMUBKPGNTQIZ-RYUDHWBXSA-N 2 0 267.377 -0.963 20 0 CBADRP [NH3+][C@H](CC1CCCCC1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000567377115 334710656 /nfs/dbraw/zinc/71/06/56/334710656.db2.gz RESRERRBVJACBC-CYBMUJFWSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000567671292 334750022 /nfs/dbraw/zinc/75/00/22/334750022.db2.gz OBDVBDIXGWFKAE-IJLUTSLNSA-N 2 0 254.378 -0.606 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000567848055 334767977 /nfs/dbraw/zinc/76/79/77/334767977.db2.gz ONVIAWWALWVCMN-PHIMTYICSA-N 2 0 253.346 -0.567 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000567899998 334773568 /nfs/dbraw/zinc/77/35/68/334773568.db2.gz DVZLITRASIHEOV-SCRDCRAPSA-N 2 0 296.415 -0.456 20 0 CBADRP COCC1(C(=O)N[C@H](C[NH3+])C2CC2)CC[NH2+]CC1 ZINC000567901910 334773808 /nfs/dbraw/zinc/77/38/08/334773808.db2.gz XGRJSEFGUNYGJP-LLVKDONJSA-N 2 0 255.362 -0.144 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000567925053 334776239 /nfs/dbraw/zinc/77/62/39/334776239.db2.gz BJQPQZZTYCITHN-LBPRGKRZSA-N 2 0 276.340 -0.854 20 0 CBADRP COC[C@H](C)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000568383997 334821352 /nfs/dbraw/zinc/82/13/52/334821352.db2.gz RJZXLFVDPDDHKJ-CHWSQXEVSA-N 2 0 259.394 -0.533 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000568517162 334828413 /nfs/dbraw/zinc/82/84/13/334828413.db2.gz AHBSWXBXWWBGNG-RWMBFGLXSA-N 2 0 267.373 -0.096 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CNC(=O)C[NH3+])C1 ZINC000568746267 334838707 /nfs/dbraw/zinc/83/87/07/334838707.db2.gz LPJXMTREMFAJMT-JHJVBQTASA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]([NH3+])C1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000568884665 334845179 /nfs/dbraw/zinc/84/51/79/334845179.db2.gz UHMBAODJJNPYCG-GFCCVEGCSA-N 3 0 268.405 -0.133 20 0 CBADRP CC(C)([NH3+])C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000572716533 334873590 /nfs/dbraw/zinc/87/35/90/334873590.db2.gz XDAISQOEJQHUNU-NWDGAFQWSA-N 2 0 296.415 -0.170 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)CCCO1 ZINC000573119335 334909956 /nfs/dbraw/zinc/90/99/56/334909956.db2.gz OILDNEXSXPVGBM-VXGBXAGGSA-N 2 0 271.361 -0.669 20 0 CBADRP C[NH+](C)CCN(C(=O)C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000576344526 335192220 /nfs/dbraw/zinc/19/22/20/335192220.db2.gz URHYJNPKSADHEU-LBPRGKRZSA-N 2 0 255.362 -0.083 20 0 CBADRP CO[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000576391227 335197449 /nfs/dbraw/zinc/19/74/49/335197449.db2.gz QJLGAJRHQAYLPJ-RBSFLKMASA-N 2 0 285.432 -0.001 20 0 CBADRP C1C[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]([C@@H]2COCC[NH2+]2)C1 ZINC000576399516 335198915 /nfs/dbraw/zinc/19/89/15/335198915.db2.gz MUEVPHQCOWDXRZ-KYTCRMMBSA-N 3 0 251.374 -0.049 20 0 CBADRP COCC[NH2+]CC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000576465548 335207102 /nfs/dbraw/zinc/20/71/02/335207102.db2.gz FZOLFKQDHOJKGO-QMMMGPOBSA-N 2 0 251.277 -0.664 20 0 CBADRP CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000576515405 335213134 /nfs/dbraw/zinc/21/31/34/335213134.db2.gz OWOYOLLCXUGRHV-CHWSQXEVSA-N 2 0 269.389 -0.195 20 0 CBADRP CC(=O)NCC[N@@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000576515300 335213286 /nfs/dbraw/zinc/21/32/86/335213286.db2.gz INWHYOKBCYSWPN-UHFFFAOYSA-N 2 0 270.377 -0.782 20 0 CBADRP [NH3+][C@H]1C[C@H]2CN(CCOCC3CC3)CCN2C1=O ZINC000576528369 335215416 /nfs/dbraw/zinc/21/54/16/335215416.db2.gz GRVVDCXPWZWEHE-RYUDHWBXSA-N 2 0 253.346 -0.343 20 0 CBADRP COC[C@]1(CNC(=O)c2cn(CCC[NH3+])nn2)CCC[NH2+]1 ZINC000576577074 335220731 /nfs/dbraw/zinc/22/07/31/335220731.db2.gz ZNTPRKDJYALKLC-CYBMUJFWSA-N 2 0 296.375 -0.875 20 0 CBADRP C[C@@]1(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000576703816 335237145 /nfs/dbraw/zinc/23/71/45/335237145.db2.gz RQYYDXHCSFPXKX-ZIAGYGMSSA-N 2 0 252.406 -0.035 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000576752104 335243266 /nfs/dbraw/zinc/24/32/66/335243266.db2.gz UZHPDFITGXONEN-QWHCGFSZSA-N 2 0 268.405 -0.038 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](C[C@H]3CCCC[C@@H]3O)CCN2C1=O ZINC000576837237 335254396 /nfs/dbraw/zinc/25/43/96/335254396.db2.gz GJDBXUMZQZFLDQ-LPWJVIDDSA-N 2 0 267.373 -0.219 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000576863485 335256916 /nfs/dbraw/zinc/25/69/16/335256916.db2.gz KMQDETZXDARYAI-PWSUYJOCSA-N 2 0 253.346 -0.282 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000576865301 335257268 /nfs/dbraw/zinc/25/72/68/335257268.db2.gz NYASJHNFSQKBSF-STQMWFEESA-N 2 0 278.356 -0.106 20 0 CBADRP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000576941063 335266747 /nfs/dbraw/zinc/26/67/47/335266747.db2.gz TWGXWLBYLWCJQX-GXTWGEPZSA-N 2 0 267.373 -0.176 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)CN(C)CC[NH3+])CC1 ZINC000576993883 335275126 /nfs/dbraw/zinc/27/51/26/335275126.db2.gz FVDNKPZRRXLVLL-UHFFFAOYSA-N 2 0 256.394 -0.134 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCCCC[C@H]2O)CC1 ZINC000580551109 335278590 /nfs/dbraw/zinc/27/85/90/335278590.db2.gz AXBDPLJKPDPWEK-RBSFLKMASA-N 2 0 285.432 -0.122 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCN2CCOC[C@H]2C)C1 ZINC000580559612 335281069 /nfs/dbraw/zinc/28/10/69/335281069.db2.gz RNYAEEUNVPAALJ-GRYCIOLGSA-N 2 0 271.361 -0.800 20 0 CBADRP C[NH+](C)CCN(C(=O)C[C@H]1COCC[NH2+]1)C1CC1 ZINC000577061190 335293303 /nfs/dbraw/zinc/29/33/03/335293303.db2.gz ZLYCXVSVOHLUPS-NSHDSACASA-N 2 0 255.362 -0.083 20 0 CBADRP CCNC(=O)CN1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000577066769 335294826 /nfs/dbraw/zinc/29/48/26/335294826.db2.gz NFENZWHJOCRCPJ-ZDUSSCGKSA-N 2 0 268.405 -0.260 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@H]1CCC[NH2+]C1 ZINC000577106568 335300026 /nfs/dbraw/zinc/30/00/26/335300026.db2.gz NOKSQDAYZJLLQF-KXNHARMFSA-N 2 0 255.362 -0.003 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@@H]1CCC[NH2+]C1 ZINC000577106570 335300120 /nfs/dbraw/zinc/30/01/20/335300120.db2.gz NOKSQDAYZJLLQF-QCNOEVLYSA-N 2 0 255.362 -0.003 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000577106601 335301075 /nfs/dbraw/zinc/30/10/75/335301075.db2.gz GITWXUJOBKUQCX-CQSZACIVSA-N 2 0 274.368 -0.077 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)C)C[C@H](C)[NH2+]1 ZINC000580638986 335308800 /nfs/dbraw/zinc/30/88/00/335308800.db2.gz DPADYUNGCQTGPT-TXEJJXNPSA-N 2 0 284.404 -0.395 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000577209176 335322873 /nfs/dbraw/zinc/32/28/73/335322873.db2.gz TYQWLZGLGBTCPU-NSHDSACASA-N 2 0 268.361 -0.935 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000577209175 335323035 /nfs/dbraw/zinc/32/30/35/335323035.db2.gz TYQWLZGLGBTCPU-LLVKDONJSA-N 2 0 268.361 -0.935 20 0 CBADRP C[NH2+]CCCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000577219839 335324906 /nfs/dbraw/zinc/32/49/06/335324906.db2.gz FDETVXOMFFCRJS-VIFPVBQESA-N 2 0 251.334 -0.174 20 0 CBADRP O[C@@H](Cn1cccn1)C[NH+]1CCN(c2ncc[nH]2)CC1 ZINC000577234907 335328366 /nfs/dbraw/zinc/32/83/66/335328366.db2.gz BZDIZKVFXHMSGY-GFCCVEGCSA-N 2 0 276.344 -0.211 20 0 CBADRP CN1CCN(C(=O)C[C@H]2CSCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000577371418 335342080 /nfs/dbraw/zinc/34/20/80/335342080.db2.gz BAJSVWQMNDXRLF-QWRGUYRKSA-N 2 0 272.418 -0.817 20 0 CBADRP COCC[NH2+]CC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000577512380 335363010 /nfs/dbraw/zinc/36/30/10/335363010.db2.gz ODXZZYGLHBILJR-SSDOTTSWSA-N 2 0 257.256 -0.382 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000577713195 335391434 /nfs/dbraw/zinc/39/14/34/335391434.db2.gz OTBKHZSWUOXKTR-KGLIPLIRSA-N 2 0 295.431 -0.230 20 0 CBADRP [NH3+]CC[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)C(F)(F)F ZINC000577728720 335393245 /nfs/dbraw/zinc/39/32/45/335393245.db2.gz PHZCCZZPKYGTOU-SFYZADRCSA-N 2 0 269.267 -0.239 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000577747862 335396684 /nfs/dbraw/zinc/39/66/84/335396684.db2.gz CRWCUSQGNXIBGL-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CCO1 ZINC000577748848 335396815 /nfs/dbraw/zinc/39/68/15/335396815.db2.gz VXEGCNCNPFGRCD-UTUOFQBUSA-N 2 0 271.361 -0.718 20 0 CBADRP COc1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cn1 ZINC000577841361 335409577 /nfs/dbraw/zinc/40/95/77/335409577.db2.gz KWAQNJYMCFHADZ-CQSZACIVSA-N 2 0 294.399 -0.212 20 0 CBADRP COc1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cn1 ZINC000577841360 335409693 /nfs/dbraw/zinc/40/96/93/335409693.db2.gz KWAQNJYMCFHADZ-AWEZNQCLSA-N 2 0 294.399 -0.212 20 0 CBADRP Cn1cc(C[NH+]2CCC(CC[NH3+])CC2)c(=O)n(C)c1=O ZINC000577854410 335411804 /nfs/dbraw/zinc/41/18/04/335411804.db2.gz LRHGQEOKZHMWRS-UHFFFAOYSA-N 2 0 280.372 -0.355 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@]2(C)CCCO2)CC1 ZINC000577859841 335412573 /nfs/dbraw/zinc/41/25/73/335412573.db2.gz JNYKQRSIYZQANK-UONOGXRCSA-N 2 0 271.405 -0.247 20 0 CBADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000578063519 335475177 /nfs/dbraw/zinc/47/51/77/335475177.db2.gz CTSMTJYBULXXGF-QWHCGFSZSA-N 2 0 296.415 -0.168 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC[NH2+]C1 ZINC000578321627 335608093 /nfs/dbraw/zinc/60/80/93/335608093.db2.gz PDFSEWCBDMMNTQ-MDZLAQPJSA-N 2 0 255.362 -0.131 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC[NH2+]C1 ZINC000578625181 335655458 /nfs/dbraw/zinc/65/54/58/335655458.db2.gz ACMOEZTXFNHWQL-GVXVVHGQSA-N 2 0 255.362 -0.273 20 0 CBADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)COC)CC1 ZINC000578981922 335695319 /nfs/dbraw/zinc/69/53/19/335695319.db2.gz VPHXAXCPSXYLCR-KGLIPLIRSA-N 2 0 273.421 -0.143 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@H]([NH2+]C)C1)c1cnn(C)c1 ZINC000579351093 335737708 /nfs/dbraw/zinc/73/77/08/335737708.db2.gz BAFUFVOODLIFSE-QWRGUYRKSA-N 2 0 251.334 -0.499 20 0 CBADRP CC1(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000580895330 335981115 /nfs/dbraw/zinc/98/11/15/335981115.db2.gz WVOJABCTDMAYCP-NSHDSACASA-N 2 0 282.388 -0.497 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000581129917 336012573 /nfs/dbraw/zinc/01/25/73/336012573.db2.gz CSYFVHDIELQGMA-JTQLQIEISA-N 2 0 259.350 -0.229 20 0 CBADRP CC(C)[NH2+]CCC(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000581249381 336031866 /nfs/dbraw/zinc/03/18/66/336031866.db2.gz ZJMOUMIUZQKBQY-UHFFFAOYSA-N 2 0 284.404 -0.217 20 0 CBADRP CN1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)[C@@H](C[NH3+])C1 ZINC000581300011 336041489 /nfs/dbraw/zinc/04/14/89/336041489.db2.gz FBEQERHLQFBRKD-KBPBESRZSA-N 2 0 291.399 -0.029 20 0 CBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000581322458 336049214 /nfs/dbraw/zinc/04/92/14/336049214.db2.gz ZLJRZGFVRMQBCF-UONOGXRCSA-N 2 0 295.431 -0.230 20 0 CBADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000581419225 336073917 /nfs/dbraw/zinc/07/39/17/336073917.db2.gz OXEKLGNNRZACJK-UTLUCORTSA-N 2 0 274.315 -0.013 20 0 CBADRP [NH3+]C[C@H](NC(=O)C(=O)N1CCN2CCCC[C@H]2C1)C1CC1 ZINC000581419707 336074208 /nfs/dbraw/zinc/07/42/08/336074208.db2.gz LZUUGZQVCGVIEB-STQMWFEESA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCCN1CC[NH2+]CC1 ZINC000581427659 336075464 /nfs/dbraw/zinc/07/54/64/336075464.db2.gz CYAQKQVZZODEJA-NWDGAFQWSA-N 2 0 271.409 -0.293 20 0 CBADRP Cn1ccnc1[C@H]1C[NH2+]CCN1CCOCC[NH3+] ZINC000581489620 336088601 /nfs/dbraw/zinc/08/86/01/336088601.db2.gz YHFDIESZAYCZLE-LLVKDONJSA-N 2 0 253.350 -0.658 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000581499887 336090857 /nfs/dbraw/zinc/09/08/57/336090857.db2.gz VWJWBZFHNZQZFX-QJPTWQEYSA-N 2 0 252.362 -0.770 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)NCCN1CC[NH+](C)CC1 ZINC000383010777 336101848 /nfs/dbraw/zinc/10/18/48/336101848.db2.gz DRBVOIILIWEKGO-LLVKDONJSA-N 2 0 254.378 -0.510 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000581603530 336110455 /nfs/dbraw/zinc/11/04/55/336110455.db2.gz ZTTDOWCIDAXLON-KBPBESRZSA-N 2 0 293.415 -0.015 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)C(=O)NCC[NH+]1CCCCC1 ZINC000581606515 336111251 /nfs/dbraw/zinc/11/12/51/336111251.db2.gz QQFZDLHSAXBAQP-CHWSQXEVSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH2+]CCCN(C)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000581666710 336120997 /nfs/dbraw/zinc/12/09/97/336120997.db2.gz WLACSPHLPZTJHQ-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000581716182 336135985 /nfs/dbraw/zinc/13/59/85/336135985.db2.gz QLPIIHATHHECPK-NWDGAFQWSA-N 3 0 271.409 -0.212 20 0 CBADRP CCC[N@@H+]1CC[C@H](C[NH2+]CCC(=O)NC(N)=O)C1 ZINC000581879292 336157411 /nfs/dbraw/zinc/15/74/11/336157411.db2.gz BKFPQGRJSARJLV-SNVBAGLBSA-N 2 0 256.350 -0.107 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000581882780 336158731 /nfs/dbraw/zinc/15/87/31/336158731.db2.gz NXSFUJTXHIOCKP-BXUZGUMPSA-N 2 0 280.372 -0.933 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000582014947 336192491 /nfs/dbraw/zinc/19/24/91/336192491.db2.gz UQGBMUVDIMCWSH-UHFFFAOYSA-N 2 0 284.404 -0.217 20 0 CBADRP CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221175287 519891100 /nfs/dbraw/zinc/89/11/00/519891100.db2.gz PUKHPARKHVWSTI-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP COC(=O)N[C@@H](C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000494076990 534142933 /nfs/dbraw/zinc/14/29/33/534142933.db2.gz BWIZJMSULIRTDI-NSHDSACASA-N 2 0 288.392 -0.317 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000580942611 518184400 /nfs/dbraw/zinc/18/44/00/518184400.db2.gz ANRVXSSWONCOQK-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494700816 534453242 /nfs/dbraw/zinc/45/32/42/534453242.db2.gz XLQNEPJAFJRWAF-CHWSQXEVSA-N 2 0 296.415 -0.025 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC000049575480 523740746 /nfs/dbraw/zinc/74/07/46/523740746.db2.gz JDSJHEIAHMGIEB-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP COCC[NH2+]CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000220662316 523934320 /nfs/dbraw/zinc/93/43/20/523934320.db2.gz FSNXJKOCTDVEIB-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@@H](C)O1 ZINC000164292507 524950091 /nfs/dbraw/zinc/95/00/91/524950091.db2.gz SRVPZLWWEVTWGY-NDBYEHHHSA-N 2 0 285.388 -0.675 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000357266500 535659421 /nfs/dbraw/zinc/65/94/21/535659421.db2.gz IMZJNVARSXQZEE-OAHLLOKOSA-N 2 0 298.431 -0.491 20 0 CBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](C)C[NH3+])CC1 ZINC000357234547 535705140 /nfs/dbraw/zinc/70/51/40/535705140.db2.gz AYHOHZSPBSORAF-STQMWFEESA-N 2 0 270.421 -0.029 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000357225474 535727353 /nfs/dbraw/zinc/72/73/53/535727353.db2.gz NIUKYHKFYSFESZ-UONOGXRCSA-N 2 0 298.431 -0.493 20 0 CBADRP CNC(=O)NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357090666 536322091 /nfs/dbraw/zinc/32/20/91/536322091.db2.gz RQXBEEJSLRBYBZ-LLVKDONJSA-N 2 0 268.361 -0.237 20 0 CBADRP COCC[NH2+]CCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843452583 583221020 /nfs/dbraw/zinc/22/10/20/583221020.db2.gz HVMQKWKNNJMGPS-LLVKDONJSA-N 2 0 259.350 -0.893 20 0 CBADRP C[NH+](C)CCOCCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000234262315 582129941 /nfs/dbraw/zinc/12/99/41/582129941.db2.gz NJYRCJVQCBREMS-NSHDSACASA-N 2 0 275.418 -0.224 20 0 CBADRP C[NH+](C)CCOCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000234248799 582129737 /nfs/dbraw/zinc/12/97/37/582129737.db2.gz HEVYIQUSDUOBLZ-CYBMUJFWSA-N 2 0 259.394 -0.389 20 0 CBADRP C[NH+](C)CCOCCNC[C@H](O)C[NH+]1CCCC1 ZINC000234250784 582129807 /nfs/dbraw/zinc/12/98/07/582129807.db2.gz HEVYIQUSDUOBLZ-ZDUSSCGKSA-N 2 0 259.394 -0.389 20 0 CBADRP C[NH+](C)CCOCCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000234262069 582129937 /nfs/dbraw/zinc/12/99/37/582129937.db2.gz NJYRCJVQCBREMS-LLVKDONJSA-N 2 0 275.418 -0.224 20 0 CBADRP C[C@@H](O)C[NH+]1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000729929949 582148370 /nfs/dbraw/zinc/14/83/70/582148370.db2.gz FEPIPHYNWLYBGA-KGLIPLIRSA-N 2 0 271.405 -0.559 20 0 CBADRP O[C@@H](CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C[NH+]1CCCC1 ZINC000732871538 582161247 /nfs/dbraw/zinc/16/12/47/582161247.db2.gz JZITVLMVJBDFBB-BZUAXINKSA-N 2 0 297.443 -0.026 20 0 CBADRP CC(C)(CO)[NH+]1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000749325576 582289466 /nfs/dbraw/zinc/28/94/66/582289466.db2.gz VKRBJZOKNQVQNM-CQSZACIVSA-N 2 0 285.432 -0.168 20 0 CBADRP C[NH+](C)CCNC(=S)NCCN1CC[NH+](C)CC1 ZINC000753972801 582298261 /nfs/dbraw/zinc/29/82/61/582298261.db2.gz FCZPLQDWSSFZAK-UHFFFAOYSA-N 2 0 273.450 -0.741 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC2CC([NH+](C)C)C2)CC1=O ZINC000773487116 582347640 /nfs/dbraw/zinc/34/76/40/582347640.db2.gz NTWVOKRALPZDNY-HIFPTAJRSA-N 2 0 296.415 -0.395 20 0 CBADRP C[C@@H](CCO)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000779343812 582360972 /nfs/dbraw/zinc/36/09/72/582360972.db2.gz BPSGNNLOVNDLNJ-NWDGAFQWSA-N 2 0 257.378 -0.066 20 0 CBADRP C[NH+](C)C[C@@H](CO)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000816619084 582478015 /nfs/dbraw/zinc/47/80/15/582478015.db2.gz SHHRXMWGWOYPLO-LBPRGKRZSA-N 2 0 269.389 -0.101 20 0 CBADRP COCCN1CC[C@@H]([NH2+]CCC(=O)N(C)OC)C1 ZINC000819039729 582525083 /nfs/dbraw/zinc/52/50/83/582525083.db2.gz SLLFNYQKFMTVJX-LLVKDONJSA-N 2 0 259.350 -0.293 20 0 CBADRP COCCN1CC[C@H]([NH2+]CCC(=O)N(C)OC)C1 ZINC000819039730 582525174 /nfs/dbraw/zinc/52/51/74/582525174.db2.gz SLLFNYQKFMTVJX-NSHDSACASA-N 2 0 259.350 -0.293 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCOc2cccnc2)CC1 ZINC000819070088 582526012 /nfs/dbraw/zinc/52/60/12/582526012.db2.gz UYYQLOLYZOOGTD-CQSZACIVSA-N 2 0 294.399 -0.342 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2COC(C)(C)O2)CC1 ZINC000819153733 582527810 /nfs/dbraw/zinc/52/78/10/582527810.db2.gz CZTXXSFIHFGCPF-STQMWFEESA-N 2 0 287.404 -0.664 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000819246487 582530159 /nfs/dbraw/zinc/53/01/59/582530159.db2.gz MDNLDRWZJPXIBU-KBPBESRZSA-N 2 0 269.389 -0.123 20 0 CBADRP Cn1cnc(/C=C/C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000824298522 582692582 /nfs/dbraw/zinc/69/25/82/582692582.db2.gz WCPFLALELLDRFR-OUDYMMNNSA-N 2 0 276.340 -0.289 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCN3CCC4)CC[C@@H]21 ZINC000827290404 582809596 /nfs/dbraw/zinc/80/95/96/582809596.db2.gz TWYIXBDNJNLTBR-QLFBSQMISA-N 2 0 292.427 -0.071 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C[C@H]([NH3+])C1CC1 ZINC000828878027 582874855 /nfs/dbraw/zinc/87/48/55/582874855.db2.gz VXEBJYSMHZUYKV-YPMHNXCESA-N 2 0 268.405 -0.134 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000828956274 582879002 /nfs/dbraw/zinc/87/90/02/582879002.db2.gz LFLQEMUKESXJKC-VXGBXAGGSA-N 2 0 255.362 -0.049 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000829287018 582884747 /nfs/dbraw/zinc/88/47/47/582884747.db2.gz NOKYWPLWKSOWSK-JQWIXIFHSA-N 2 0 258.341 -0.950 20 0 CBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@]3(F)CC[NH2+]C3)C2)CC1 ZINC000829484712 582888100 /nfs/dbraw/zinc/88/81/00/582888100.db2.gz WLBLZKKAZCCXTA-WFASDCNBSA-N 2 0 298.406 -0.027 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000831088698 582956175 /nfs/dbraw/zinc/95/61/75/582956175.db2.gz JQQNYLOPESDXRX-CYBMUJFWSA-N 2 0 273.352 -0.085 20 0 CBADRP [NH3+]CCCCCCNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000831197787 582966577 /nfs/dbraw/zinc/96/65/77/582966577.db2.gz UKIKEBIMBFHMSE-LLVKDONJSA-N 2 0 258.366 -0.207 20 0 CBADRP C[C@@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)[C@H](C)C[NH2+]1 ZINC000831539951 582985337 /nfs/dbraw/zinc/98/53/37/582985337.db2.gz BTUWFXDYWFLCJC-RKDXNWHRSA-N 2 0 263.345 -0.122 20 0 CBADRP CCO[C@H](CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)C[NH+](C)C ZINC000831707744 582996167 /nfs/dbraw/zinc/99/61/67/582996167.db2.gz LDYWYHBDKWZNBU-ZIAGYGMSSA-N 2 0 299.415 -0.210 20 0 CBADRP C[C@H]1CCC[N@@H+]1CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000831971116 583008947 /nfs/dbraw/zinc/00/89/47/583008947.db2.gz SGKJTUNEQHSMIB-NSHDSACASA-N 2 0 280.376 -0.159 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000831970728 583008963 /nfs/dbraw/zinc/00/89/63/583008963.db2.gz KUCXUNRHVAACBF-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+][C@@H](CC(=O)NCCCN1CC[NH2+]CC1)C1CC1 ZINC000832212921 583018508 /nfs/dbraw/zinc/01/85/08/583018508.db2.gz OKKAKMABBKSSBZ-LBPRGKRZSA-N 2 0 254.378 -0.475 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000832526404 583027783 /nfs/dbraw/zinc/02/77/83/583027783.db2.gz DHKDEHJPWOMONY-NEPJUHHUSA-N 2 0 282.388 -0.573 20 0 CBADRP C[NH2+][C@H](C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)c1cnn(C)c1 ZINC000834316824 583120208 /nfs/dbraw/zinc/12/02/08/583120208.db2.gz LCGGSYXWOIXMNY-WCQGTBRESA-N 2 0 281.360 -0.745 20 0 CBADRP O=C(NCC1=CC[NH2+]CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000834542614 583130585 /nfs/dbraw/zinc/13/05/85/583130585.db2.gz IQOAAKJFTYBQQN-UHFFFAOYSA-N 2 0 261.329 -0.295 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000841789758 583174119 /nfs/dbraw/zinc/17/41/19/583174119.db2.gz QMHPBRZLJZUHGS-SDDRHHMPSA-N 2 0 270.377 -0.114 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000841855996 583175254 /nfs/dbraw/zinc/17/52/54/583175254.db2.gz KTFYGHVLCSGHJW-RWMBFGLXSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[NH+]1CCCCC1 ZINC000842014230 583177609 /nfs/dbraw/zinc/17/76/09/583177609.db2.gz APSLMTNUUTWIRF-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)C1 ZINC000842015196 583177621 /nfs/dbraw/zinc/17/76/21/583177621.db2.gz HOEDOAXLLQGMFR-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])[NH+]1CCCCC1 ZINC000842014840 583177642 /nfs/dbraw/zinc/17/76/42/583177642.db2.gz FLVOXXQPEKZIPS-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000842014297 583177686 /nfs/dbraw/zinc/17/76/86/583177686.db2.gz BUWQELYUHKIDIL-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[NH+]1CCCCC1 ZINC000842014231 583177808 /nfs/dbraw/zinc/17/78/08/583177808.db2.gz APSLMTNUUTWIRF-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[NH+]1CCCCC1 ZINC000842014688 583177840 /nfs/dbraw/zinc/17/78/40/583177840.db2.gz DRNYSLTVLUYMAZ-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000842014289 583177863 /nfs/dbraw/zinc/17/78/63/583177863.db2.gz BTARHBCISALHNN-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000842016747 583177951 /nfs/dbraw/zinc/17/79/51/583177951.db2.gz XPECSPSJYBVTRX-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])[NH+]1CCCCC1 ZINC000842016011 583178240 /nfs/dbraw/zinc/17/82/40/583178240.db2.gz QJPBRJLJKXQPBY-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)NCCCN1CC[NH2+]CC1 ZINC000843285604 583206641 /nfs/dbraw/zinc/20/66/41/583206641.db2.gz KHTAOXSVYVNZIQ-ZDUSSCGKSA-N 2 0 284.404 -0.834 20 0 CBADRP CN(C(=O)CO[C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000843310545 583207924 /nfs/dbraw/zinc/20/79/24/583207924.db2.gz NIPOPONTOHHZMH-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)NCC[C@@H]1CC[NH2+]C1 ZINC000843338018 583210483 /nfs/dbraw/zinc/21/04/83/583210483.db2.gz DKLIVUVXCSQFSD-RYUDHWBXSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C1OCC[C@H]1N1CCC[C@H](N2CCNCC2=O)C1 ZINC000843369822 583213156 /nfs/dbraw/zinc/21/31/56/583213156.db2.gz VPVLZHUBOKYPBX-WDEREUQCSA-N 2 0 267.329 -0.802 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000843455639 583221102 /nfs/dbraw/zinc/22/11/02/583221102.db2.gz SBQDWCSLBJCNHM-QJPTWQEYSA-N 2 0 255.362 -0.049 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843480471 583226267 /nfs/dbraw/zinc/22/62/67/583226267.db2.gz XIMGAGZJSSLSJA-VXGBXAGGSA-N 2 0 299.371 -0.882 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000843481173 583226514 /nfs/dbraw/zinc/22/65/14/583226514.db2.gz PWJPYYYXRSJLJW-UONOGXRCSA-N 2 0 296.415 -0.739 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000843484691 583226838 /nfs/dbraw/zinc/22/68/38/583226838.db2.gz QVDAYQJDNMAMNH-NXEZZACHSA-N 2 0 277.315 -0.132 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000843484852 583227325 /nfs/dbraw/zinc/22/73/25/583227325.db2.gz DUIQVNWQKGCFAC-CQSZACIVSA-N 2 0 299.415 -0.064 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000843489435 583227760 /nfs/dbraw/zinc/22/77/60/583227760.db2.gz OFANLNRBOYIRAT-GFCCVEGCSA-N 2 0 261.341 -0.275 20 0 CBADRP CN(C(=O)CO[C@@H]1CCC[NH2+]C1)[C@H](C[NH3+])C1CC1 ZINC000843499224 583230490 /nfs/dbraw/zinc/23/04/90/583230490.db2.gz XLRKXCMANQYEGA-VXGBXAGGSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[NH2+]CC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000843499322 583230938 /nfs/dbraw/zinc/23/09/38/583230938.db2.gz ZIFCRZPALFVOHN-UHFFFAOYSA-N 2 0 268.405 -0.072 20 0 CBADRP CC(C)(CC[NH3+])NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000843501847 583231713 /nfs/dbraw/zinc/23/17/13/583231713.db2.gz QFCFVKXDIILUHT-UHFFFAOYSA-N 2 0 251.334 -0.087 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000844178951 583257820 /nfs/dbraw/zinc/25/78/20/583257820.db2.gz AGZJGEMWSOVBBN-MLGHIDQZSA-N 2 0 265.357 -0.284 20 0 CBADRP CC[NH2+]CC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000844181444 583258348 /nfs/dbraw/zinc/25/83/48/583258348.db2.gz PREODTUKQBXMEU-UHFFFAOYSA-N 2 0 284.404 -0.392 20 0 CBADRP C[NH+](C)C1(CNC(=O)CO[C@H]2CCC[NH2+]C2)CCOCC1 ZINC000844184637 583258994 /nfs/dbraw/zinc/25/89/94/583258994.db2.gz ULQNITXJUHRMBQ-ZDUSSCGKSA-N 2 0 299.415 -0.018 20 0 CBADRP C[NH+]1CCN(CCNC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844190872 583260031 /nfs/dbraw/zinc/26/00/31/583260031.db2.gz DAIOGHSBQLTOHD-ZDUSSCGKSA-N 2 0 284.404 -0.881 20 0 CBADRP CC[NH2+]CC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000844191203 583260036 /nfs/dbraw/zinc/26/00/36/583260036.db2.gz TUBRZTNFEPDGIT-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP CC[NH2+]CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000844189828 583260058 /nfs/dbraw/zinc/26/00/58/583260058.db2.gz VETFWVLQVQUBQR-GFCCVEGCSA-N 2 0 255.362 -0.223 20 0 CBADRP CC[NH2+]CC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000844190822 583260127 /nfs/dbraw/zinc/26/01/27/583260127.db2.gz BLPSRSYASWSMNN-CYBMUJFWSA-N 2 0 270.421 -0.014 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846674476 583382137 /nfs/dbraw/zinc/38/21/37/583382137.db2.gz YZBMLYSFEJYXCR-XFMPKHEZSA-N 2 0 295.383 -0.798 20 0 CBADRP [NH3+]CCCCCCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846679334 583383200 /nfs/dbraw/zinc/38/32/00/583383200.db2.gz IMWIVUYNRSSSEI-AAEUAGOBSA-N 2 0 255.362 -0.142 20 0 CBADRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846718148 583386090 /nfs/dbraw/zinc/38/60/90/583386090.db2.gz SVXKQVCYUFPBKA-OBJOEFQTSA-N 2 0 267.373 -0.177 20 0 CBADRP O[C@H](CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C[NH+]1CCCC1 ZINC000847040111 583397006 /nfs/dbraw/zinc/39/70/06/583397006.db2.gz NNWDXALGPOONJT-MJBXVCDLSA-N 2 0 269.389 -0.806 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848614795 583452855 /nfs/dbraw/zinc/45/28/55/583452855.db2.gz XPQLARDNMVUCMF-QJPTWQEYSA-N 2 0 282.388 -0.417 20 0 CBADRP COCCNC(=[NH2+])NCC(C)(C)N1CC[NH+](C)CC1 ZINC000848984041 583464049 /nfs/dbraw/zinc/46/40/49/583464049.db2.gz IFLLXJJUTVSQIW-UHFFFAOYSA-N 2 0 271.409 -0.227 20 0 CBADRP C[C@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000849000109 583466105 /nfs/dbraw/zinc/46/61/05/583466105.db2.gz OUNMJYNIACTPCI-OLZOCXBDSA-N 2 0 283.420 -0.133 20 0 CBADRP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCCO ZINC000849033852 583469929 /nfs/dbraw/zinc/46/99/29/583469929.db2.gz CBMVBQSZCNVLDR-RYUDHWBXSA-N 2 0 272.393 -0.018 20 0 CBADRP COC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCCO ZINC000849033853 583469992 /nfs/dbraw/zinc/46/99/92/583469992.db2.gz CBMVBQSZCNVLDR-VXGBXAGGSA-N 2 0 272.393 -0.018 20 0 CBADRP C[C@H]1C[NH+]=C(NCC2(N3CCOCC3)CC[NH+](C)CC2)N1 ZINC000849041245 583471070 /nfs/dbraw/zinc/47/10/70/583471070.db2.gz OERBNIJQEZYKCX-ZDUSSCGKSA-N 2 0 295.431 -0.280 20 0 CBADRP C[N@@H+]1CCCN(CCNC2=[NH+]CCCCN2)CC1 ZINC000849215516 583473983 /nfs/dbraw/zinc/47/39/83/583473983.db2.gz ODNGAORMSKREIL-UHFFFAOYSA-N 2 0 253.394 -0.047 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000851657136 583518182 /nfs/dbraw/zinc/51/81/82/583518182.db2.gz VJHOURZQFBZDAG-DNCHLWJUSA-N 2 0 294.399 -0.018 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NCC12CC(C1)C[NH2+]2 ZINC000851657084 583518213 /nfs/dbraw/zinc/51/82/13/583518213.db2.gz UVMCONLIPFGPSZ-DNCHLWJUSA-N 2 0 294.399 -0.099 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NCC12CC(C1)C[NH2+]2 ZINC000851657090 583518292 /nfs/dbraw/zinc/51/82/92/583518292.db2.gz UVMCONLIPFGPSZ-SBEAFCBVSA-N 2 0 294.399 -0.099 20 0 CBADRP CN(CCC[NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000851657291 583518303 /nfs/dbraw/zinc/51/83/03/583518303.db2.gz WOQGUCJMNWNSRM-RYUDHWBXSA-N 2 0 270.377 -0.160 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000851657137 583518319 /nfs/dbraw/zinc/51/83/19/583518319.db2.gz VJHOURZQFBZDAG-FMPXUHTOSA-N 2 0 294.399 -0.018 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000851656436 583518337 /nfs/dbraw/zinc/51/83/37/583518337.db2.gz LCTUZZQFZVWCTC-SRVKXCTJSA-N 2 0 270.377 -0.243 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000851668163 583519645 /nfs/dbraw/zinc/51/96/45/583519645.db2.gz RYOOYVPOSAXODH-SFYZADRCSA-N 2 0 250.293 -0.109 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000851684437 583520848 /nfs/dbraw/zinc/52/08/48/583520848.db2.gz BPYLRYDCWDUPTE-SRVKXCTJSA-N 2 0 284.404 -0.301 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000851690498 583522162 /nfs/dbraw/zinc/52/21/62/583522162.db2.gz DIIGWCSVBSDQGS-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000851690496 583522186 /nfs/dbraw/zinc/52/21/86/583522186.db2.gz DIIGWCSVBSDQGS-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[NH2+]C)C1 ZINC000851691606 583522484 /nfs/dbraw/zinc/52/24/84/583522484.db2.gz PMJLFNMTKOGUCM-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)NCC2([NH3+])CCCCC2)=NO1 ZINC000852789726 583552711 /nfs/dbraw/zinc/55/27/11/583552711.db2.gz DPTKYTBHUYNXBO-SECBINFHSA-N 2 0 254.334 -0.132 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)NCCC[NH2+]Cc2cccnc2)=NO1 ZINC000852792800 583552733 /nfs/dbraw/zinc/55/27/33/583552733.db2.gz CZXQXFUOQUXQHJ-GFCCVEGCSA-N 2 0 291.355 -0.219 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)C=C1CC[NH2+]CC1 ZINC000852795394 583552986 /nfs/dbraw/zinc/55/29/86/583552986.db2.gz HNXWPJCRIRHZJB-UHFFFAOYSA-N 2 0 266.389 -0.340 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852793519 583553024 /nfs/dbraw/zinc/55/30/24/583553024.db2.gz APYAWDIIFKEVEW-CYBMUJFWSA-N 2 0 294.399 -0.390 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852795870 583553045 /nfs/dbraw/zinc/55/30/45/583553045.db2.gz KCPXOZKHURIVHL-WCBMZHEXSA-N 2 0 254.334 -0.324 20 0 CBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852799799 583553275 /nfs/dbraw/zinc/55/32/75/583553275.db2.gz XDCLXXSIFQRIGK-VHSXEESVSA-N 2 0 256.350 -0.078 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C=C2CC[NH2+]CC2)CCO1 ZINC000852799077 583553379 /nfs/dbraw/zinc/55/33/79/583553379.db2.gz CUPKHAQTVSNGGQ-ZYHUDNBSSA-N 2 0 253.346 -0.129 20 0 CBADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852800356 583553570 /nfs/dbraw/zinc/55/35/70/583553570.db2.gz XLEWJVHVWZYTOB-CABZTGNLSA-N 2 0 256.350 -0.030 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NCCC[NH+]2CCCC2)=NO1 ZINC000852856255 583561597 /nfs/dbraw/zinc/56/15/97/583561597.db2.gz WXQDSDLVIBHDLH-JTQLQIEISA-N 2 0 254.334 -0.308 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C2=NO[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000852857216 583561700 /nfs/dbraw/zinc/56/17/00/583561700.db2.gz MKENERINELXXBC-GRYCIOLGSA-N 2 0 298.387 -0.295 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)=NO1 ZINC000852859319 583562132 /nfs/dbraw/zinc/56/21/32/583562132.db2.gz RMCQVMPKXMNIKC-DCAQKATOSA-N 2 0 266.345 -0.167 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852859391 583562136 /nfs/dbraw/zinc/56/21/36/583562136.db2.gz SGPCWOUUUSEYJP-GHMZBOCLSA-N 2 0 268.361 -0.062 20 0 CBADRP C[NH+](C)[C@@]1(CNC(=O)C2=NO[C@@H](C[NH3+])C2)CCSC1 ZINC000852858630 583562141 /nfs/dbraw/zinc/56/21/41/583562141.db2.gz FKLPSQHWUOOCSJ-BXKDBHETSA-N 2 0 286.401 -0.357 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852859395 583562164 /nfs/dbraw/zinc/56/21/64/583562164.db2.gz SGPCWOUUUSEYJP-QWRGUYRKSA-N 2 0 268.361 -0.062 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852860131 583562172 /nfs/dbraw/zinc/56/21/72/583562172.db2.gz KXMRKYBHEFZYPE-UWVGGRQHSA-N 2 0 254.334 -0.452 20 0 CBADRP C[C@@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)C[NH+]1CCCC1 ZINC000852860271 583562562 /nfs/dbraw/zinc/56/25/62/583562562.db2.gz OTRNVUAWHLYSSG-WDEREUQCSA-N 2 0 268.361 -0.062 20 0 CBADRP C[C@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)C[NH+]1CCCC1 ZINC000852860265 583562580 /nfs/dbraw/zinc/56/25/80/583562580.db2.gz OTRNVUAWHLYSSG-GHMZBOCLSA-N 2 0 268.361 -0.062 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH+](CC3CC3)CC2)=NO1 ZINC000852860984 583562617 /nfs/dbraw/zinc/56/26/17/583562617.db2.gz XGTJABXXYZRVHK-NSHDSACASA-N 2 0 266.345 -0.356 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852861765 583562846 /nfs/dbraw/zinc/56/28/46/583562846.db2.gz IYKFCZBIFRGXJK-WDEREUQCSA-N 2 0 268.361 -0.064 20 0 CBADRP COCC[NH+]1CCC(NC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852862115 583562864 /nfs/dbraw/zinc/56/28/64/583562864.db2.gz TVNXZXMSYKLCMK-LLVKDONJSA-N 2 0 284.360 -0.683 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000852864295 583563571 /nfs/dbraw/zinc/56/35/71/583563571.db2.gz RJOGELXTWSXJRT-CYDGBPFRSA-N 2 0 283.372 -0.670 20 0 CBADRP CC[N@H+](CCNC(=O)C1=NO[C@@H](C[NH3+])C1)C1CC1 ZINC000852864646 583563629 /nfs/dbraw/zinc/56/36/29/583563629.db2.gz CMCADLUVTSBKBV-SNVBAGLBSA-N 2 0 254.334 -0.310 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)=NO1 ZINC000852865619 583564075 /nfs/dbraw/zinc/56/40/75/583564075.db2.gz JZUCHMBUROYGQY-GHMZBOCLSA-N 2 0 266.345 -0.310 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CC[NH+](C3CCC3)CC2)=NO1 ZINC000852869020 583564914 /nfs/dbraw/zinc/56/49/14/583564914.db2.gz YJLYSHCNEFITRT-LLVKDONJSA-N 2 0 266.345 -0.213 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCN(c3cc[nH+]cc3)CC2)=NO1 ZINC000852873519 583565548 /nfs/dbraw/zinc/56/55/48/583565548.db2.gz XILBIPCRQMDFFM-LBPRGKRZSA-N 2 0 289.339 -0.166 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)=NO1 ZINC000852873919 583565564 /nfs/dbraw/zinc/56/55/64/583565564.db2.gz DMKMFWXXYYWDDS-ONGXEEELSA-N 2 0 289.339 -0.060 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)=NO1 ZINC000852875361 583565746 /nfs/dbraw/zinc/56/57/46/583565746.db2.gz IUAPXNRQQPYDLS-NAKRPEOUSA-N 2 0 266.345 -0.324 20 0 CBADRP CC[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC[C@H]1[NH3+] ZINC000852879210 583566469 /nfs/dbraw/zinc/56/64/69/583566469.db2.gz RUAKIDOWIPKAGM-OPRDCNLKSA-N 2 0 254.334 -0.324 20 0 CBADRP COCC1(CNC(=O)C2=NO[C@@H](C[NH3+])C2)CC[NH2+]CC1 ZINC000852879333 583566496 /nfs/dbraw/zinc/56/64/96/583566496.db2.gz VAVAKSOHHSBBAC-SNVBAGLBSA-N 2 0 284.360 -0.778 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)=NO1 ZINC000852882645 583567490 /nfs/dbraw/zinc/56/74/90/583567490.db2.gz NRPIFXJMUYTREE-TUAOUCFPSA-N 2 0 280.372 -0.062 20 0 CBADRP [NH3+]CC[C@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)C(F)(F)F ZINC000852883291 583567727 /nfs/dbraw/zinc/56/77/27/583567727.db2.gz XGAPKZNLFMVXQI-VDTYLAMSSA-N 2 0 268.239 -0.514 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852886970 583569105 /nfs/dbraw/zinc/56/91/05/583569105.db2.gz APYSGONXVDFPCM-SNVBAGLBSA-N 2 0 254.334 -0.357 20 0 CBADRP [NH3+]C[C@H](NC(=O)C1=NO[C@H](C[NH3+])C1)C1CCCC1 ZINC000852889523 583569834 /nfs/dbraw/zinc/56/98/34/583569834.db2.gz FGWCRAUEBZKPIV-ONGXEEELSA-N 2 0 254.334 -0.276 20 0 CBADRP C[C@@H]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C[C@@H]1C[NH3+] ZINC000852890373 583569995 /nfs/dbraw/zinc/56/99/95/583569995.db2.gz JIDDWFWBCKVNRR-KXUCPTDWSA-N 2 0 254.334 -0.467 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852895477 583570887 /nfs/dbraw/zinc/57/08/87/583570887.db2.gz CLXXBMJLDAFBIC-LLVKDONJSA-N 2 0 284.360 -0.683 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852893994 583570909 /nfs/dbraw/zinc/57/09/09/583570909.db2.gz LOPFYZSPMPAWII-LLVKDONJSA-N 2 0 268.361 -0.110 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000852907762 583573507 /nfs/dbraw/zinc/57/35/07/583573507.db2.gz BRRZGHGKJPCYTF-QWKFWESOSA-N 2 0 253.346 -0.295 20 0 CBADRP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC[C@H](C)[NH3+])[C@@H](C)C1 ZINC000857108941 583665230 /nfs/dbraw/zinc/66/52/30/583665230.db2.gz SQJMOYUFVDCDOH-SDDRHHMPSA-N 2 0 272.393 -0.180 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861592908 583771931 /nfs/dbraw/zinc/77/19/31/583771931.db2.gz WLSOPSXNIMZCDB-NSHDSACASA-N 2 0 260.382 -0.057 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000861634749 583773747 /nfs/dbraw/zinc/77/37/47/583773747.db2.gz SDEUVXOUZADPKH-NSHDSACASA-N 2 0 258.366 -0.303 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000861645760 583775326 /nfs/dbraw/zinc/77/53/26/583775326.db2.gz IDSDCKRTNUKJIG-VIFPVBQESA-N 2 0 280.319 -0.481 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000861676789 583776894 /nfs/dbraw/zinc/77/68/94/583776894.db2.gz MTLDQCKIWCAEKL-NSHDSACASA-N 2 0 258.366 -0.397 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000861712828 583780503 /nfs/dbraw/zinc/78/05/03/583780503.db2.gz URBYTIKIQCAKSB-RWMBFGLXSA-N 2 0 267.373 -0.394 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000861712830 583780514 /nfs/dbraw/zinc/78/05/14/583780514.db2.gz URBYTIKIQCAKSB-YNEHKIRRSA-N 2 0 267.373 -0.394 20 0 CBADRP C[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000861728992 583781711 /nfs/dbraw/zinc/78/17/11/583781711.db2.gz NLPQRWXBUVOHHP-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000861744689 583783361 /nfs/dbraw/zinc/78/33/61/583783361.db2.gz NJVCOVJCXBQEFY-TUAOUCFPSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000861772992 583785675 /nfs/dbraw/zinc/78/56/75/583785675.db2.gz GDJVZTCKLWCDIP-SRVKXCTJSA-N 2 0 282.388 -0.465 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000861786715 583786531 /nfs/dbraw/zinc/78/65/31/583786531.db2.gz OSRARINWWITZBA-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP C[NH+](C)CCCNC(=S)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863236927 583835212 /nfs/dbraw/zinc/83/52/12/583835212.db2.gz SNMURVOKKVPXNK-LLVKDONJSA-N 2 0 274.434 -0.531 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000863751373 583852556 /nfs/dbraw/zinc/85/25/56/583852556.db2.gz HORTZERQCKRNFC-LLVKDONJSA-N 2 0 270.377 -0.654 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000863755418 583853147 /nfs/dbraw/zinc/85/31/47/583853147.db2.gz PFRGSBBOJLHOLP-OLZOCXBDSA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000863755361 583853272 /nfs/dbraw/zinc/85/32/72/583853272.db2.gz NKDRPLBHQJJLHB-NSHDSACASA-N 2 0 284.404 -0.408 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863765724 583855015 /nfs/dbraw/zinc/85/50/15/583855015.db2.gz SXDYZUCJUJNHSI-LLVKDONJSA-N 2 0 272.393 -0.409 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000863768693 583855209 /nfs/dbraw/zinc/85/52/09/583855209.db2.gz RUXNVHIIHHPCRI-LLVKDONJSA-N 2 0 284.404 -0.265 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000863768403 583855229 /nfs/dbraw/zinc/85/52/29/583855229.db2.gz OJZKDUIPBMBNLY-AVGNSLFASA-N 2 0 296.415 -0.265 20 0 CBADRP Cn1nnnc1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866010492 583914376 /nfs/dbraw/zinc/91/43/76/583914376.db2.gz KOHAGTKJDKZLHW-GHMZBOCLSA-N 2 0 267.381 -0.614 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]C[C@]23COCCN2C(=O)COC3)CC[N@@H+]1C ZINC000866554171 583924096 /nfs/dbraw/zinc/92/40/96/583924096.db2.gz GAZPJVIPFBMPAU-VNHYZAJKSA-N 2 0 297.399 -0.314 20 0 CBADRP Cn1nnnc1CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000866661396 583926203 /nfs/dbraw/zinc/92/62/03/583926203.db2.gz QFIKGPYJUSCNME-GARJFASQSA-N 2 0 250.350 -0.188 20 0 CBADRP CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000866685767 583927226 /nfs/dbraw/zinc/92/72/26/583927226.db2.gz XHQFWNSEVHQTAZ-ZDUSSCGKSA-N 2 0 283.420 -0.325 20 0 CBADRP CCOCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707641 583927732 /nfs/dbraw/zinc/92/77/32/583927732.db2.gz JAJLWZHZWKOWCQ-UTUOFQBUSA-N 2 0 269.345 -0.110 20 0 CBADRP CC1(C)C[C@H](O)C[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000866704311 583927742 /nfs/dbraw/zinc/92/77/42/583927742.db2.gz SRLBIHUBTYTNBU-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(CCC(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000866703164 583927872 /nfs/dbraw/zinc/92/78/72/583927872.db2.gz GEXAFMAKZSYIAG-KBPBESRZSA-N 2 0 280.416 -0.166 20 0 CBADRP COCC[N@H+](CCC(=O)N1CC[NH2+]CC1)C1CCOCC1 ZINC000866717630 583928741 /nfs/dbraw/zinc/92/87/41/583928741.db2.gz KLWYSFMAAKJWKP-UHFFFAOYSA-N 2 0 299.415 -0.064 20 0 CBADRP CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000866767731 583931803 /nfs/dbraw/zinc/93/18/03/583931803.db2.gz GHYVTRCHSZPGGU-NXEZZACHSA-N 2 0 279.406 -0.732 20 0 CBADRP [NH3+]CCCCCCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000866774319 583932218 /nfs/dbraw/zinc/93/22/18/583932218.db2.gz OJZCFPMQECEGKL-NSHDSACASA-N 2 0 279.406 -0.587 20 0 CBADRP [NH3+]CCCCCCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000866774318 583932304 /nfs/dbraw/zinc/93/23/04/583932304.db2.gz OJZCFPMQECEGKL-LLVKDONJSA-N 2 0 279.406 -0.587 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC[C@H]21 ZINC000868387142 583976647 /nfs/dbraw/zinc/97/66/47/583976647.db2.gz PXWCOQAAFOBMBG-GRYCIOLGSA-N 2 0 280.372 -0.901 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC[C@@H]21 ZINC000868387153 583976675 /nfs/dbraw/zinc/97/66/75/583976675.db2.gz PXWCOQAAFOBMBG-WOPDTQHZSA-N 2 0 280.372 -0.901 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC[C@@H]21 ZINC000868386793 583976706 /nfs/dbraw/zinc/97/67/06/583976706.db2.gz JDDUBWURVFHSTM-AGIUHOORSA-N 2 0 294.399 -0.511 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C[NH3+])C3)CC[C@H]21 ZINC000868388586 583976834 /nfs/dbraw/zinc/97/68/34/583976834.db2.gz XVPRHDTUYGFABK-JHJVBQTASA-N 2 0 294.399 -0.654 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868388398 583976838 /nfs/dbraw/zinc/97/68/38/583976838.db2.gz SZXDDSJLMHUIMT-AVGNSLFASA-N 2 0 294.399 -0.641 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868388399 583976902 /nfs/dbraw/zinc/97/69/02/583976902.db2.gz SZXDDSJLMHUIMT-RWMBFGLXSA-N 2 0 294.399 -0.641 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868388401 583976976 /nfs/dbraw/zinc/97/69/76/583976976.db2.gz SZXDDSJLMHUIMT-YNEHKIRRSA-N 2 0 294.399 -0.641 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868392140 583977418 /nfs/dbraw/zinc/97/74/18/583977418.db2.gz SVXMOUKJFKPMJQ-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCC1(C)C ZINC000868406162 583977898 /nfs/dbraw/zinc/97/78/98/583977898.db2.gz MDPQEZDDDFWJHL-LBPRGKRZSA-N 2 0 296.415 -0.121 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868421462 583979175 /nfs/dbraw/zinc/97/91/75/583979175.db2.gz LNMTYHBEXDIKCQ-VXGBXAGGSA-N 2 0 282.388 -0.641 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@]2(O)CCOC2)C[C@H]1C[NH+](C)C ZINC000870018381 584007411 /nfs/dbraw/zinc/00/74/11/584007411.db2.gz ZGZIZQRTFHVIMG-UMVBOHGHSA-N 2 0 299.415 -0.664 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000870933234 584021777 /nfs/dbraw/zinc/02/17/77/584021777.db2.gz RNFNOLMXQRQVQP-DMDPSCGWSA-N 2 0 252.362 -0.865 20 0 CBADRP [NH3+][C@H]1CC[C@H](C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000870933878 584021780 /nfs/dbraw/zinc/02/17/80/584021780.db2.gz ZLVGEFDCTPKZDF-JOCQHMNTSA-N 2 0 268.405 -0.085 20 0 CBADRP [NH3+][C@H]1CC[C@@H](C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000870932536 584021824 /nfs/dbraw/zinc/02/18/24/584021824.db2.gz HFDGKRLOSFFXKI-TXEJJXNPSA-N 2 0 254.378 -0.475 20 0 CBADRP CN1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H](C[NH3+])C1 ZINC000870938873 584022304 /nfs/dbraw/zinc/02/23/04/584022304.db2.gz VQJYVTOIMHROAT-IJLUTSLNSA-N 2 0 254.378 -0.395 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3COCC[NH2+]3)CC[C@H]21 ZINC000870981048 584023854 /nfs/dbraw/zinc/02/38/54/584023854.db2.gz FLVJNHFFZJPMDC-JHJVBQTASA-N 2 0 267.373 -0.083 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870980906 584023984 /nfs/dbraw/zinc/02/39/84/584023984.db2.gz DSHGDHRCOLVZLF-NWDGAFQWSA-N 2 0 255.362 -0.225 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3C[NH2+]CCO3)CC[C@@H]21 ZINC000870981246 584024001 /nfs/dbraw/zinc/02/40/01/584024001.db2.gz GTMYURWLSKUALF-UPJWGTAASA-N 2 0 267.373 -0.083 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC[C@@H]21 ZINC000870981751 584024019 /nfs/dbraw/zinc/02/40/19/584024019.db2.gz JWZADYYIIRYYDU-ABHRYQDASA-N 2 0 279.384 -0.225 20 0 CBADRP C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)C1CC[NH2+]CC1 ZINC000870984376 584024432 /nfs/dbraw/zinc/02/44/32/584024432.db2.gz QHCSXNPNWPOGIW-OSMZGAPFSA-N 2 0 267.373 -0.273 20 0 CBADRP C[C@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000870987468 584024498 /nfs/dbraw/zinc/02/44/98/584024498.db2.gz IRQLVSOCIRTLML-AAEUAGOBSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000870983956 584024508 /nfs/dbraw/zinc/02/45/08/584024508.db2.gz DWHFBDFEWSDMMA-ZYHUDNBSSA-N 2 0 255.362 -0.131 20 0 CBADRP CC(C)(C[NH3+])C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870999771 584024657 /nfs/dbraw/zinc/02/46/57/584024657.db2.gz PETLQVAGJLXNIQ-AXFHLTTASA-N 2 0 296.371 -0.635 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870999810 584024721 /nfs/dbraw/zinc/02/47/21/584024721.db2.gz PXFTUSPCAYTMNP-WYUUTHIRSA-N 2 0 296.371 -0.637 20 0 CBADRP COCCN(C)C(=[NH2+])NCCN1CCC[N@H+](C)CC1 ZINC000871603758 584043278 /nfs/dbraw/zinc/04/32/78/584043278.db2.gz GKTFPGMXJONRTP-UHFFFAOYSA-N 2 0 271.409 -0.274 20 0 CBADRP COCCN(C)C(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000871606555 584043721 /nfs/dbraw/zinc/04/37/21/584043721.db2.gz SGEDNVCSMSDQCX-LLVKDONJSA-N 2 0 255.366 -0.911 20 0 CBADRP Cn1nnnc1C1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000872146227 584048153 /nfs/dbraw/zinc/04/81/53/584048153.db2.gz IPZBRVVWFNALGW-LBPRGKRZSA-N 2 0 292.387 -0.090 20 0 CBADRP COC(=O)C1CC([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000872228117 584051388 /nfs/dbraw/zinc/05/13/88/584051388.db2.gz XMQUISQUOIZHBC-WXRRBKDZSA-N 2 0 285.388 -0.864 20 0 CBADRP COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000872230315 584051789 /nfs/dbraw/zinc/05/17/89/584051789.db2.gz XMHJPJFBTXGVTC-JHJVBQTASA-N 2 0 286.372 -0.389 20 0 CBADRP CC[C@H](C[C@@H](C)O)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000872243076 584052042 /nfs/dbraw/zinc/05/20/42/584052042.db2.gz RCLPTLASGPNGKE-MGPQQGTHSA-N 2 0 273.421 -0.266 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000872257872 584052315 /nfs/dbraw/zinc/05/23/15/584052315.db2.gz ZVWBETRAYPIICX-VVSAWPALSA-N 2 0 292.383 -0.537 20 0 CBADRP C[C@]1(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[NH2+]C1 ZINC000872257791 584052350 /nfs/dbraw/zinc/05/23/50/584052350.db2.gz XACNRVNHNVQJMT-XFMPKHEZSA-N 3 0 294.399 -0.147 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(CC23CC(C2)C[NH2+]3)C1 ZINC000872257771 584052426 /nfs/dbraw/zinc/05/24/26/584052426.db2.gz WPRNCMBZOJNGRO-DPWYMPPLSA-N 2 0 292.383 -0.395 20 0 CBADRP Cn1ccc(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)n1 ZINC000872254354 584052431 /nfs/dbraw/zinc/05/24/31/584052431.db2.gz AOAQNYSNLHSIKS-UPJWGTAASA-N 2 0 291.355 -0.213 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000872276720 584052995 /nfs/dbraw/zinc/05/29/95/584052995.db2.gz QREOKTJQOGDWCX-ZJUUUORDSA-N 2 0 268.361 -0.016 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C[NH2+]CCO1 ZINC000872276929 584052951 /nfs/dbraw/zinc/05/29/51/584052951.db2.gz UONUZOZBQVAPDY-WFASDCNBSA-N 2 0 299.415 -0.114 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872308968 584055341 /nfs/dbraw/zinc/05/53/41/584055341.db2.gz OOUUASSCKLYEHV-MDZLAQPJSA-N 2 0 255.362 -0.192 20 0 CBADRP CN1C(=O)[C@H]2C[N@H+](C[C@@]3(C)CC[NH2+]C3)C[C@H]2C1=O ZINC000873220789 584068875 /nfs/dbraw/zinc/06/88/75/584068875.db2.gz YOKNTAAPOCVHDF-CWSCBRNRSA-N 2 0 251.330 -0.467 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000873265980 584069495 /nfs/dbraw/zinc/06/94/95/584069495.db2.gz KVWAYZGOGVLGFS-DMDPSCGWSA-N 2 0 271.361 -0.670 20 0 CBADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000873264670 584069532 /nfs/dbraw/zinc/06/95/32/584069532.db2.gz DGIBIKLDAKBCOP-GXTWGEPZSA-N 2 0 285.388 -0.279 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@]23COCCN2C(=O)COC3)C1 ZINC000873266329 584069772 /nfs/dbraw/zinc/06/97/72/584069772.db2.gz MOPMHXURJONETF-YRGRVCCFSA-N 2 0 283.372 -0.526 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C[NH+]2CCCC2)C1 ZINC000874281899 584080515 /nfs/dbraw/zinc/08/05/15/584080515.db2.gz WEWPKMWBZSGJKE-CYBMUJFWSA-N 2 0 296.415 -0.214 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H]2CCC[NH2+]C2)C[NH2+]CCO1 ZINC000876512929 584130385 /nfs/dbraw/zinc/13/03/85/584130385.db2.gz CNFWOUJRUCFSRF-WCQYABFASA-N 2 0 271.361 -0.893 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H]2CCCC[NH2+]2)C[NH2+]CCO1 ZINC000876514888 584130636 /nfs/dbraw/zinc/13/06/36/584130636.db2.gz IZHAZLYZGAWLOS-DGCLKSJQSA-N 2 0 271.361 -0.750 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000876523954 584130996 /nfs/dbraw/zinc/13/09/96/584130996.db2.gz IFRVEBIHFCGMMA-LBPRGKRZSA-N 2 0 266.345 -0.149 20 0 CBADRP COC[C@@]1(C(=O)NCCC[NH2+]C(C)C)C[NH2+]CCO1 ZINC000876523774 584131023 /nfs/dbraw/zinc/13/10/23/584131023.db2.gz DFCGQNGLIFEOBN-CYBMUJFWSA-N 2 0 273.377 -0.504 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)CC[NH2+]CC1CC1 ZINC000876525562 584131155 /nfs/dbraw/zinc/13/11/55/584131155.db2.gz HFHPRTZCRDTBKY-UHFFFAOYSA-N 2 0 268.405 -0.260 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876525917 584131235 /nfs/dbraw/zinc/13/12/35/584131235.db2.gz MRXINKYPADOERF-RYUDHWBXSA-N 2 0 272.368 -0.702 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]([NH3+])C(C)C)C[NH2+]CCO1 ZINC000876536456 584132157 /nfs/dbraw/zinc/13/21/57/584132157.db2.gz PKIGPYMFCAFGJJ-JQWIXIFHSA-N 2 0 259.350 -0.909 20 0 CBADRP COC[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]CCO1 ZINC000876539293 584132359 /nfs/dbraw/zinc/13/23/59/584132359.db2.gz BJRGFUDNQLKQIH-MBNYWOFBSA-N 2 0 283.372 -0.656 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CCO1 ZINC000876543075 584132731 /nfs/dbraw/zinc/13/27/31/584132731.db2.gz DSHLEPJWNSOHBQ-XGEHTFHBSA-N 2 0 263.288 -0.599 20 0 CBADRP CN1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000876542754 584132819 /nfs/dbraw/zinc/13/28/19/584132819.db2.gz SREWDNNTXYHRNT-OEFFGFFESA-N 2 0 266.389 -0.357 20 0 CBADRP COC[C@@]1(C(=O)N2CCC(C[NH+](C)C)CC2)C[NH2+]CCO1 ZINC000876725373 584141072 /nfs/dbraw/zinc/14/10/72/584141072.db2.gz QLEFNLAGZAOPQL-OAHLLOKOSA-N 2 0 299.415 -0.208 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000876727577 584141316 /nfs/dbraw/zinc/14/13/16/584141316.db2.gz NWFBQFUZFWTPFN-ZDUSSCGKSA-N 2 0 268.405 -0.134 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H](C2CC2)[NH+](C)C)C[NH2+]CCO1 ZINC000876731708 584141689 /nfs/dbraw/zinc/14/16/89/584141689.db2.gz SVSGEKKRWMUQOK-TZMCWYRMSA-N 2 0 285.388 -0.552 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C[NH3+])cnn1C ZINC000876751443 584142530 /nfs/dbraw/zinc/14/25/30/584142530.db2.gz QCUREZFVNSKSKX-GFCCVEGCSA-N 2 0 295.387 -0.281 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)c1c(C[NH3+])cnn1C ZINC000876771446 584143490 /nfs/dbraw/zinc/14/34/90/584143490.db2.gz SBRCGACOTFTGOV-UHFFFAOYSA-N 2 0 283.376 -0.423 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)c2c(C[NH3+])cnn2C)C1 ZINC000876772550 584143731 /nfs/dbraw/zinc/14/37/31/584143731.db2.gz DOXYOPRKPVWTJW-SNVBAGLBSA-N 2 0 265.361 -0.050 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000876779337 584143785 /nfs/dbraw/zinc/14/37/85/584143785.db2.gz BFMQCCBKPIWZTE-ZDUSSCGKSA-N 2 0 277.372 -0.381 20 0 CBADRP COC[C@]1(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)C[NH2+]CCO1 ZINC000876772852 584143887 /nfs/dbraw/zinc/14/38/87/584143887.db2.gz SMCNNMQYGIUJML-IPYPFGDCSA-N 2 0 299.415 -0.068 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000876784123 584144589 /nfs/dbraw/zinc/14/45/89/584144589.db2.gz XVQYRJQPLLBCQG-YNLGZWBXSA-N 2 0 280.416 -0.240 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000876783515 584144601 /nfs/dbraw/zinc/14/46/01/584144601.db2.gz FHXJNAOCEFEDAE-KBPBESRZSA-N 2 0 297.447 -0.886 20 0 CBADRP COCC[NH2+]CCNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876792771 584144811 /nfs/dbraw/zinc/14/48/11/584144811.db2.gz YYJDCAKHMSVJDZ-ZYOFXKKJSA-N 2 0 255.362 -0.106 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C[NH2+]CCO1 ZINC000876811066 584147438 /nfs/dbraw/zinc/14/74/38/584147438.db2.gz BISXKZALCOFBSY-GVXVVHGQSA-N 2 0 271.361 -0.894 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000876826300 584147807 /nfs/dbraw/zinc/14/78/07/584147807.db2.gz OFIARYYPDZCPSW-ZDUSSCGKSA-N 2 0 262.357 -0.205 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C[NH2+]CCO1 ZINC000876831309 584148097 /nfs/dbraw/zinc/14/80/97/584148097.db2.gz XFXDBMALVXLRFS-LOWVWBTDSA-N 2 0 271.361 -0.894 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)C[NH2+]CCO1 ZINC000876833235 584148293 /nfs/dbraw/zinc/14/82/93/584148293.db2.gz HCYQNWGZZJAYBC-GVXVVHGQSA-N 2 0 271.361 -0.752 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@]2(COC)C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000876834848 584148311 /nfs/dbraw/zinc/14/83/11/584148311.db2.gz WCONRSSHLJPKIS-BZPMIXESSA-N 2 0 285.388 -0.423 20 0 CBADRP COC[C@@]1(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C[NH2+]CCO1 ZINC000876840600 584148416 /nfs/dbraw/zinc/14/84/16/584148416.db2.gz CTLBCUWSPVKTDM-LSDHHAIUSA-N 2 0 297.399 -0.407 20 0 CBADRP COC[C@@]1(C(=O)N2CC[C@@](C)(C[NH3+])C2)C[NH2+]CCO1 ZINC000876839821 584148549 /nfs/dbraw/zinc/14/85/49/584148549.db2.gz AKEPBWLXQORROV-QWHCGFSZSA-N 2 0 271.361 -0.811 20 0 CBADRP COC[C@]1(C(=O)N2CCC[C@@H](CC[NH3+])C2)C[NH2+]CCO1 ZINC000876838464 584148554 /nfs/dbraw/zinc/14/85/54/584148554.db2.gz QYZZDIHCQLDRLK-JSGCOSHPSA-N 2 0 285.388 -0.421 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000876846012 584149158 /nfs/dbraw/zinc/14/91/58/584149158.db2.gz KPYFTKXWPVBUAM-KBPBESRZSA-N 2 0 276.384 -0.122 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876847302 584149246 /nfs/dbraw/zinc/14/92/46/584149246.db2.gz BLLYAWKDBKSDIE-ZOWXZIJZSA-N 2 0 295.383 -0.118 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000876846013 584149258 /nfs/dbraw/zinc/14/92/58/584149258.db2.gz KPYFTKXWPVBUAM-UONOGXRCSA-N 2 0 276.384 -0.122 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000876850042 584149695 /nfs/dbraw/zinc/14/96/95/584149695.db2.gz GBAALXFRMIDIHN-AAEUAGOBSA-N 2 0 254.378 -0.523 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000876852248 584149772 /nfs/dbraw/zinc/14/97/72/584149772.db2.gz BKAXNPMEUIHIBL-FRRDWIJNSA-N 2 0 280.416 -0.134 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1(F)F ZINC000876852568 584150057 /nfs/dbraw/zinc/15/00/57/584150057.db2.gz FLIPSIYXIFSUJM-HBNTYKKESA-N 2 0 288.342 -0.668 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000876863406 584150684 /nfs/dbraw/zinc/15/06/84/584150684.db2.gz BOSDGCSNEDDYFA-IQJOONFLSA-N 2 0 277.315 -0.133 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1(F)F ZINC000876865666 584150988 /nfs/dbraw/zinc/15/09/88/584150988.db2.gz FBDFPURAJHZVFQ-FSDSQADBSA-N 2 0 269.242 -0.060 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000876868451 584151314 /nfs/dbraw/zinc/15/13/14/584151314.db2.gz DEVUNDIKAJCRKX-AGIUHOORSA-N 2 0 268.405 -0.277 20 0 CBADRP COC[C@]1(C(=O)NC2CC[NH+](C(C)C)CC2)C[NH2+]CCO1 ZINC000876872969 584151866 /nfs/dbraw/zinc/15/18/66/584151866.db2.gz SKRUVXAFRRZZNI-HNNXBMFYSA-N 2 0 299.415 -0.020 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876878545 584152517 /nfs/dbraw/zinc/15/25/17/584152517.db2.gz GDTUZLIEFQPTPQ-NWDGAFQWSA-N 2 0 275.368 -0.029 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000876883457 584153026 /nfs/dbraw/zinc/15/30/26/584153026.db2.gz HUPXCSOHOGMBBE-RYUDHWBXSA-N 2 0 256.394 -0.182 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000876913876 584154885 /nfs/dbraw/zinc/15/48/85/584154885.db2.gz VKVCJSGOZRIUTK-AGIUHOORSA-N 2 0 268.405 -0.134 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000876916435 584155091 /nfs/dbraw/zinc/15/50/91/584155091.db2.gz BMSXLVXBEZXFTF-QIOFFNHISA-N 2 0 253.346 -0.497 20 0 CBADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NC[C@H]1C[NH2+]CCO1 ZINC000876916440 584155159 /nfs/dbraw/zinc/15/51/59/584155159.db2.gz BMTNRVXJAZXWLX-RRNNCXACSA-N 2 0 253.346 -0.353 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000876917678 584155465 /nfs/dbraw/zinc/15/54/65/584155465.db2.gz AYHSPZSHBYWEDI-HZSPNIEDSA-N 2 0 298.431 -0.380 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C[NH2+]CCO1 ZINC000876923191 584156040 /nfs/dbraw/zinc/15/60/40/584156040.db2.gz AUONIKRYROFPIJ-STQMWFEESA-N 2 0 253.346 -0.281 20 0 CBADRP C[C@@H]1C[C@H](C)N(C(=O)[C@@H](N)C[NH+](C)C)C[C@H]1C[NH3+] ZINC000876927852 584156217 /nfs/dbraw/zinc/15/62/17/584156217.db2.gz NIWGAUAKVPWCNA-KXNHARMFSA-N 2 0 256.394 -0.293 20 0 CBADRP COC[C@]1(C(=O)N2CCC3(CC[NH2+]3)CC2)C[NH2+]CCO1 ZINC000876927904 584156232 /nfs/dbraw/zinc/15/62/32/584156232.db2.gz ORKZUBPAUVFLPL-AWEZNQCLSA-N 2 0 283.372 -0.654 20 0 CBADRP CC1(C)[C@H](C(=O)N2CCC(O)(C[NH3+])CC2)C[C@@H]1[NH3+] ZINC000876926956 584156236 /nfs/dbraw/zinc/15/62/36/584156236.db2.gz MHIIATQRTDIFTH-UWVGGRQHSA-N 2 0 255.362 -0.328 20 0 CBADRP C[C@H]1CC2(CN1C(=O)[C@@H](N)C[NH+](C)C)CC[NH2+]CC2 ZINC000876933275 584156475 /nfs/dbraw/zinc/15/64/75/584156475.db2.gz KYZXUKCXPGQYLE-RYUDHWBXSA-N 2 0 268.405 -0.134 20 0 CBADRP COC[C@]1(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])C[NH2+]CCO1 ZINC000876934952 584156800 /nfs/dbraw/zinc/15/68/00/584156800.db2.gz OWHPIVBZVVBBHZ-SCVCMEIPSA-N 2 0 259.350 -0.767 20 0 CBADRP COC[C@@]1(C(=O)N2CCC[N@@H+](C(C)C)CC2)C[NH2+]CCO1 ZINC000876939286 584156936 /nfs/dbraw/zinc/15/69/36/584156936.db2.gz FVPYGHRKYYHFHH-OAHLLOKOSA-N 2 0 299.415 -0.066 20 0 CBADRP C[C@H]1CCCN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1CC[NH3+] ZINC000876949008 584157642 /nfs/dbraw/zinc/15/76/42/584157642.db2.gz NQHJUEMLSZIYGO-SRVKXCTJSA-N 2 0 256.394 -0.149 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876962048 584158716 /nfs/dbraw/zinc/15/87/16/584158716.db2.gz ZEJWXISCMSTLJZ-QWRGUYRKSA-N 2 0 292.374 -0.174 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000876985243 584159896 /nfs/dbraw/zinc/15/98/96/584159896.db2.gz ORQPZSYTHBWDKH-MFKMUULPSA-N 2 0 263.345 -0.168 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000876997629 584160398 /nfs/dbraw/zinc/16/03/98/584160398.db2.gz CEWBVAIZAUCIBK-MWLCHTKSSA-N 2 0 254.334 -0.454 20 0 CBADRP CC[NH2+]CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000876999563 584160549 /nfs/dbraw/zinc/16/05/49/584160549.db2.gz DHRIYRBOPJXMAF-JTQLQIEISA-N 2 0 256.350 -0.948 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000876999286 584160617 /nfs/dbraw/zinc/16/06/17/584160617.db2.gz DBNQCDZKLUXSNP-GWCFXTLKSA-N 2 0 286.351 -0.856 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CC[NH2+]C23CCC3)=NO1 ZINC000877006261 584161396 /nfs/dbraw/zinc/16/13/96/584161396.db2.gz ZCCMNMSNPANCPL-WCBMZHEXSA-N 2 0 252.318 -0.509 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000877023228 584161936 /nfs/dbraw/zinc/16/19/36/584161936.db2.gz IXUZKUOZRFBUOP-DMDPSCGWSA-N 2 0 271.361 -0.752 20 0 CBADRP C[NH2+]CCOCCNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000877023780 584161955 /nfs/dbraw/zinc/16/19/55/584161955.db2.gz FCQOEXULZQKODE-RXNFCKPNSA-N 2 0 255.362 -0.106 20 0 CBADRP C[NH2+]CCOCCNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000877023781 584162044 /nfs/dbraw/zinc/16/20/44/584162044.db2.gz FCQOEXULZQKODE-ZYOFXKKJSA-N 2 0 255.362 -0.106 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000877029345 584162467 /nfs/dbraw/zinc/16/24/67/584162467.db2.gz AAZZBIZRBZTCSP-WDEREUQCSA-N 2 0 261.341 -0.372 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000877037719 584163041 /nfs/dbraw/zinc/16/30/41/584163041.db2.gz ACANUZXKEBNIFB-YYAQPZEXSA-N 2 0 253.346 -0.497 20 0 CBADRP [NH3+]CCCOCCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877048945 584164066 /nfs/dbraw/zinc/16/40/66/584164066.db2.gz PVBIWLSKCJIXGC-NSHDSACASA-N 2 0 259.350 -0.763 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C[NH2+]1 ZINC000877052935 584164308 /nfs/dbraw/zinc/16/43/08/584164308.db2.gz YSTIYZPXVIVANY-DTWKUNHWSA-N 2 0 263.345 -0.074 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000877102760 584166047 /nfs/dbraw/zinc/16/60/47/584166047.db2.gz DBQZZBCVRVLNPY-WDEREUQCSA-N 2 0 270.377 -0.798 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000877103719 584166059 /nfs/dbraw/zinc/16/60/59/584166059.db2.gz YOWDIRHIKKPWGI-ZJUUUORDSA-N 2 0 256.350 -0.950 20 0 CBADRP COC[C@@]1(C(=O)N2CCCCC[C@@H]([NH3+])C2)C[NH2+]CCO1 ZINC000877124805 584167475 /nfs/dbraw/zinc/16/74/75/584167475.db2.gz DTZGWSIQTSOBML-TZMCWYRMSA-N 2 0 285.388 -0.279 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C[NH2+]CCO1 ZINC000877182219 584169703 /nfs/dbraw/zinc/16/97/03/584169703.db2.gz VQRSIZKHZDHFMX-OBJOEFQTSA-N 2 0 285.388 -0.375 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000877188301 584169914 /nfs/dbraw/zinc/16/99/14/584169914.db2.gz YMJJGYJEZHMZOI-MQYJIDSJSA-N 2 0 294.399 -0.273 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)CN1CC[NH2+]CC1 ZINC000877186354 584169971 /nfs/dbraw/zinc/16/99/71/584169971.db2.gz SEIHNCTWMSBYCR-UHFFFAOYSA-N 2 0 252.362 -0.626 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C[NH2+]CCO1 ZINC000877250110 584172602 /nfs/dbraw/zinc/17/26/02/584172602.db2.gz NJFWPZMJSWBRJS-NFAWXSAZSA-N 2 0 297.399 -0.456 20 0 CBADRP CC(C)[C@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC[N@@H+]1C ZINC000877251288 584172863 /nfs/dbraw/zinc/17/28/63/584172863.db2.gz LUSUKCQSFTYMDE-ZYHUDNBSSA-N 2 0 268.361 -0.111 20 0 CBADRP COC[C@]1(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)C[NH2+]CCO1 ZINC000877251296 584172982 /nfs/dbraw/zinc/17/29/82/584172982.db2.gz MBWCYWXZKLLCAV-HIFRSBDPSA-N 2 0 299.415 -0.210 20 0 CBADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000877258629 584173613 /nfs/dbraw/zinc/17/36/13/584173613.db2.gz QFMCOFQEZHUNIE-GFCCVEGCSA-N 2 0 255.362 -0.456 20 0 CBADRP C[C@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[NH+](C)C ZINC000877259838 584173677 /nfs/dbraw/zinc/17/36/77/584173677.db2.gz KNTSIEMDNCSLQC-KXNHARMFSA-N 2 0 296.371 -0.670 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000877267284 584173776 /nfs/dbraw/zinc/17/37/76/584173776.db2.gz WOMJWMGHMAIRQV-WOPDTQHZSA-N 2 0 254.378 -0.524 20 0 CBADRP COCCC1(NC(=O)[C@@]2(F)CC[NH2+]C2)CC[NH2+]CC1 ZINC000877267396 584173834 /nfs/dbraw/zinc/17/38/34/584173834.db2.gz USBCHTKFSHWPOX-CYBMUJFWSA-N 2 0 273.352 -0.037 20 0 CBADRP COCCC1(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]CC1 ZINC000877267982 584174137 /nfs/dbraw/zinc/17/41/37/584174137.db2.gz MQEIMSHFLBUUGF-GDNZZTSVSA-N 2 0 267.373 -0.273 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000877282177 584175692 /nfs/dbraw/zinc/17/56/92/584175692.db2.gz LJNBBLYFXPVFOL-UONOGXRCSA-N 2 0 280.416 -0.023 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877284020 584175893 /nfs/dbraw/zinc/17/58/93/584175893.db2.gz ROLDKMSBTHSVAD-YNEHKIRRSA-N 2 0 294.399 -0.402 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877289919 584176160 /nfs/dbraw/zinc/17/61/60/584176160.db2.gz WUKDKJIPCBVWHV-IJLUTSLNSA-N 2 0 253.346 -0.282 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877331658 584178805 /nfs/dbraw/zinc/17/88/05/584178805.db2.gz PKFYCMXGQURNDY-WDEREUQCSA-N 2 0 255.362 -0.144 20 0 CBADRP C[NH+](C)CC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877332244 584178849 /nfs/dbraw/zinc/17/88/49/584178849.db2.gz WUMBMDYKLRKYFI-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877335705 584179070 /nfs/dbraw/zinc/17/90/70/584179070.db2.gz DQZGVDCRPPTRLN-OLZOCXBDSA-N 2 0 297.399 -0.360 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877335707 584179087 /nfs/dbraw/zinc/17/90/87/584179087.db2.gz DQZGVDCRPPTRLN-QWHCGFSZSA-N 2 0 297.399 -0.360 20 0 CBADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1C[NH2+]CCO1 ZINC000877336054 584179181 /nfs/dbraw/zinc/17/91/81/584179181.db2.gz HRDFYMFHMVMJEQ-NEPJUHHUSA-N 2 0 283.372 -0.750 20 0 CBADRP COCC[NH2+]CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877371843 584179784 /nfs/dbraw/zinc/17/97/84/584179784.db2.gz WQBMHDCTRUJAMW-IUCAKERBSA-N 2 0 283.294 -0.182 20 0 CBADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000877935258 584188193 /nfs/dbraw/zinc/18/81/93/584188193.db2.gz MHTWRDMIVYHKBG-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878052598 584191618 /nfs/dbraw/zinc/19/16/18/584191618.db2.gz NKJWXTZPJVOJCY-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878319503 584199364 /nfs/dbraw/zinc/19/93/64/584199364.db2.gz UPKWTIQSICANMA-ZYHUDNBSSA-N 2 0 255.362 -0.348 20 0 CBADRP CC[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@H]1O ZINC000878321676 584199774 /nfs/dbraw/zinc/19/97/74/584199774.db2.gz SGPJAOUYEHPCMO-DGCLKSJQSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@H]1O ZINC000878336457 584200698 /nfs/dbraw/zinc/20/06/98/584200698.db2.gz YCOVFWQREFTFOS-CMPLNLGQSA-N 2 0 255.362 -0.491 20 0 CBADRP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@@H]1O ZINC000878336459 584200821 /nfs/dbraw/zinc/20/08/21/584200821.db2.gz YCOVFWQREFTFOS-PWSUYJOCSA-N 2 0 255.362 -0.491 20 0 CBADRP CNC(=O)[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)C(C)C ZINC000878365507 584201386 /nfs/dbraw/zinc/20/13/86/584201386.db2.gz PPBNKARBRFHSKL-ZDUSSCGKSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H](O)C[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@H](C)CO ZINC000878486860 584205249 /nfs/dbraw/zinc/20/52/49/584205249.db2.gz ISNZMIKXXBVVDQ-VXGBXAGGSA-N 2 0 287.404 -0.740 20 0 CBADRP CN(C)C(=O)[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878708989 584215269 /nfs/dbraw/zinc/21/52/69/584215269.db2.gz CMMPLSZBQNKQAI-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@@H](CCO)[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878812263 584217796 /nfs/dbraw/zinc/21/77/96/584217796.db2.gz OGRNAXNJKYHTNX-NSHDSACASA-N 2 0 257.378 -0.101 20 0 CBADRP COCC[N@H+](CCn1cnnn1)CC1CC[NH+](C)CC1 ZINC000879125504 584227112 /nfs/dbraw/zinc/22/71/12/584227112.db2.gz CVSLDIDLGMBVTR-UHFFFAOYSA-N 2 0 282.392 -0.037 20 0 CBADRP C[C@]12C[NH+](C[C@@H](O)C[NH+]3CCCC3)C[C@]1(C)C(=O)NC2=O ZINC000879158777 584228816 /nfs/dbraw/zinc/22/88/16/584228816.db2.gz 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ZINC000883429380 584342049 /nfs/dbraw/zinc/34/20/49/584342049.db2.gz TVISYXPPQNLZCJ-RYUDHWBXSA-N 2 0 250.350 -0.005 20 0 CBADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCn3cnnn3)CC2)C1 ZINC000883432888 584342237 /nfs/dbraw/zinc/34/22/37/584342237.db2.gz CNPSLWDQKWROOZ-STQMWFEESA-N 2 0 280.376 -0.109 20 0 CBADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883439777 584342703 /nfs/dbraw/zinc/34/27/03/584342703.db2.gz ZYNVCDWNPAXBDY-YYHQMBLXSA-N 2 0 298.362 -0.447 20 0 CBADRP NC(=O)C1(N2CCCCC2)CC[NH+](CCOCC[NH3+])CC1 ZINC000883447809 584342923 /nfs/dbraw/zinc/34/29/23/584342923.db2.gz LZNLMHUKEWBSQG-UHFFFAOYSA-N 2 0 298.431 -0.233 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1CCC(=O)N1CC[NH2+]CC1 ZINC000883449723 584343037 /nfs/dbraw/zinc/34/30/37/584343037.db2.gz HREDUNQQTOUKNN-CYBMUJFWSA-N 2 0 268.405 -0.118 20 0 CBADRP O=C(CC[N@@H+]1CCC[C@H]2CCNC(=O)[C@H]21)N1CC[NH2+]CC1 ZINC000883462219 584343277 /nfs/dbraw/zinc/34/32/77/584343277.db2.gz MILOLRGFBQZWEU-JSGCOSHPSA-N 2 0 294.399 -0.591 20 0 CBADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[NH2+]CC1 ZINC000884007477 584355376 /nfs/dbraw/zinc/35/53/76/584355376.db2.gz BJQNATOKJYABKP-UHFFFAOYSA-N 2 0 275.356 -0.463 20 0 CBADRP CC(C)(C[NH3+])NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884026266 584356458 /nfs/dbraw/zinc/35/64/58/584356458.db2.gz YFBVXUVVWVNASG-UHFFFAOYSA-N 2 0 277.372 -0.042 20 0 CBADRP COCC[C@H]([NH3+])C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000884183077 584364712 /nfs/dbraw/zinc/36/47/12/584364712.db2.gz BUHAHGASMWLCQU-AVGNSLFASA-N 2 0 287.404 -0.034 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000884192227 584365305 /nfs/dbraw/zinc/36/53/05/584365305.db2.gz ZRTSZPRAXKZCRK-ZYHUDNBSSA-N 2 0 275.418 -0.096 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000884233546 584368985 /nfs/dbraw/zinc/36/89/85/584368985.db2.gz RQCHDBDPSGDLLU-DLOVCJGASA-N 2 0 255.362 -0.051 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000884234219 584369035 /nfs/dbraw/zinc/36/90/35/584369035.db2.gz MKODKGXEEVVWGH-CYBMUJFWSA-N 2 0 268.405 -0.133 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000884238942 584369526 /nfs/dbraw/zinc/36/95/26/584369526.db2.gz KOUFIHNLUYUWCQ-TUAOUCFPSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+][C@@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)C1CC1 ZINC000884241721 584369590 /nfs/dbraw/zinc/36/95/90/584369590.db2.gz AHKKQUHHESEUHM-ZDUSSCGKSA-N 2 0 289.383 -0.042 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000884301812 584372784 /nfs/dbraw/zinc/37/27/84/584372784.db2.gz CYKKJHPFWXRLMY-MNOVXSKESA-N 2 0 255.362 -0.273 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N(CCOC)CC[NH+](C)C ZINC000884310115 584373498 /nfs/dbraw/zinc/37/34/98/584373498.db2.gz ORQVALWVGNNWDJ-NSHDSACASA-N 2 0 261.366 -0.613 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000884336369 584375193 /nfs/dbraw/zinc/37/51/93/584375193.db2.gz OQJCLVCRANGJHO-SRVKXCTJSA-N 2 0 255.362 -0.049 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000884348358 584375767 /nfs/dbraw/zinc/37/57/67/584375767.db2.gz WRNGMLYIWLQTBG-MXWKQRLJSA-N 2 0 255.362 -0.003 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000884363737 584376676 /nfs/dbraw/zinc/37/66/76/584376676.db2.gz HXQXXGYZKPXUQD-GBIKHYSHSA-N 2 0 255.362 -0.016 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000884363738 584376697 /nfs/dbraw/zinc/37/66/97/584376697.db2.gz HXQXXGYZKPXUQD-GIPNMCIBSA-N 2 0 255.362 -0.016 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@H]([NH3+])CCOC)C[C@H]1C[NH3+] ZINC000884385964 584377916 /nfs/dbraw/zinc/37/79/16/584377916.db2.gz ALYKPGLKJGAJMY-GMTAPVOTSA-N 2 0 259.350 -0.828 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)NC1(C[NH3+])CCOCC1 ZINC000884436498 584381448 /nfs/dbraw/zinc/38/14/48/584381448.db2.gz HBXRLSPFJOSKJV-JTQLQIEISA-N 2 0 255.362 -0.144 20 0 CBADRP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@H](C[NH3+])OC ZINC000884450265 584382221 /nfs/dbraw/zinc/38/22/21/584382221.db2.gz CUJUSMVUXKNHLH-ZDUSSCGKSA-N 2 0 287.404 -0.223 20 0 CBADRP CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000884486115 584384738 /nfs/dbraw/zinc/38/47/38/584384738.db2.gz OOFFMSIUEDZJSU-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000884490697 584384827 /nfs/dbraw/zinc/38/48/27/584384827.db2.gz DNBGUFRADZHWKO-MROQNXINSA-N 2 0 296.415 -0.077 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000884528939 584386465 /nfs/dbraw/zinc/38/64/65/584386465.db2.gz BBPLSGMZUBMJQS-QWRGUYRKSA-N 2 0 282.388 -0.465 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NCCC(C)(C)[NH3+])CCC1 ZINC000884529131 584386724 /nfs/dbraw/zinc/38/67/24/584386724.db2.gz HXEBPAYXOJHWBQ-UHFFFAOYSA-N 2 0 284.404 -0.170 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884545536 584387364 /nfs/dbraw/zinc/38/73/64/584387364.db2.gz KOOWQKLKSZZHFP-BETUJISGSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000884555054 584387893 /nfs/dbraw/zinc/38/78/93/584387893.db2.gz JWDJVUVABAXPJR-PWSUYJOCSA-N 2 0 296.415 -0.171 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CC1 ZINC000884601587 584389704 /nfs/dbraw/zinc/38/97/04/584389704.db2.gz PZKPVMOZEGLLML-JQWIXIFHSA-N 2 0 280.372 -0.840 20 0 CBADRP C[C@@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C(C)(C)C[NH+](C)C ZINC000884608923 584390724 /nfs/dbraw/zinc/39/07/24/584390724.db2.gz ZLIFVIVETFSORP-WOPDTQHZSA-N 2 0 296.415 -0.348 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)[N@H+](C)C1CC1 ZINC000884616900 584391188 /nfs/dbraw/zinc/39/11/88/584391188.db2.gz DTVJRCJEWNCXGV-GMTAPVOTSA-N 2 0 282.388 -0.467 20 0 CBADRP CCN(C(=O)C(=O)NCC[NH+](CC)CC)[C@H]1CC[NH2+]C1 ZINC000884650505 584392523 /nfs/dbraw/zinc/39/25/23/584392523.db2.gz MGCZDQQWPJJCGB-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884659163 584393149 /nfs/dbraw/zinc/39/31/49/584393149.db2.gz JVTKHQHJLMZKKT-BETUJISGSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)C[NH+]1CCCC1 ZINC000884668895 584393649 /nfs/dbraw/zinc/39/36/49/584393649.db2.gz GPKHYCCYHVOEFN-JHJVBQTASA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000884669902 584393693 /nfs/dbraw/zinc/39/36/93/584393693.db2.gz JUDHHXIXIYWKMH-XQHKEYJVSA-N 2 0 294.399 -0.323 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000884678322 584395128 /nfs/dbraw/zinc/39/51/28/584395128.db2.gz WYXAWPXKWCIXBD-WOPDTQHZSA-N 2 0 280.372 -0.983 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000884684582 584395941 /nfs/dbraw/zinc/39/59/41/584395941.db2.gz JMQMXGPMJGQSPK-IFQILLTASA-N 2 0 284.404 -0.171 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC[NH2+]C3CC3)CC[C@H]21 ZINC000884690367 584397321 /nfs/dbraw/zinc/39/73/21/584397321.db2.gz WPOVVEOPJNTIPS-DGCLKSJQSA-N 2 0 294.399 -0.593 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC[C@H]21 ZINC000884692513 584397560 /nfs/dbraw/zinc/39/75/60/584397560.db2.gz FDOKXZAAQMHGIM-RWMBFGLXSA-N 2 0 294.399 -0.593 20 0 CBADRP CN1Cc2ccccc2[C@@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000884692976 584397942 /nfs/dbraw/zinc/39/79/42/584397942.db2.gz GSEFJVNCMDOMBS-ZDUSSCGKSA-N 2 0 288.351 -0.623 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000884697885 584398393 /nfs/dbraw/zinc/39/83/93/584398393.db2.gz GIIKVHRNXUYBNE-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000884705345 584399493 /nfs/dbraw/zinc/39/94/93/584399493.db2.gz QLVVUUIOUGBFTG-JTQLQIEISA-N 2 0 270.377 -0.608 20 0 CBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000884705354 584399585 /nfs/dbraw/zinc/39/95/85/584399585.db2.gz QWLTXDOTZNPWLX-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884729207 584401000 /nfs/dbraw/zinc/40/10/00/584401000.db2.gz KMOARLMMPYVJDW-CYDGBPFRSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)[C@@H]1CC[C@@H]([NH+](C)[C@@H](C)C(N)=O)CC1 ZINC000886389505 584438845 /nfs/dbraw/zinc/43/88/45/584438845.db2.gz LZDSWGDDYHTXSK-CDECOKDKSA-N 2 0 284.404 -0.091 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000887087980 584462971 /nfs/dbraw/zinc/46/29/71/584462971.db2.gz GQIGUDFCOOTZRA-QWHCGFSZSA-N 2 0 296.415 -0.264 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000887088191 584463107 /nfs/dbraw/zinc/46/31/07/584463107.db2.gz XEYKCSDLLRUXGR-CHWSQXEVSA-N 2 0 292.383 -0.591 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000890056200 584539697 /nfs/dbraw/zinc/53/96/97/584539697.db2.gz RJTSXLMRXWSNRV-NEPJUHHUSA-N 2 0 270.377 -0.554 20 0 CBADRP CCN(C(=O)NCC[N@H+](C)CCOC)[C@H]1CC[NH2+]C1 ZINC000891493175 584582505 /nfs/dbraw/zinc/58/25/05/584582505.db2.gz NDJCAEKOVKOFKQ-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000891513951 584583314 /nfs/dbraw/zinc/58/33/14/584583314.db2.gz KHPDEANIMLUKMJ-ZDEQEGDKSA-N 2 0 282.388 -0.114 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000891513941 584583332 /nfs/dbraw/zinc/58/33/32/584583332.db2.gz KHPDEANIMLUKMJ-FDYHWXHSSA-N 2 0 282.388 -0.114 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000891513946 584583648 /nfs/dbraw/zinc/58/36/48/584583648.db2.gz KHPDEANIMLUKMJ-RNJOBUHISA-N 2 0 282.388 -0.114 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000891540077 584584651 /nfs/dbraw/zinc/58/46/51/584584651.db2.gz LWDUQKNHAGROLZ-OLZOCXBDSA-N 2 0 283.420 -0.245 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000891540416 584584660 /nfs/dbraw/zinc/58/46/60/584584660.db2.gz QWBKZYAEIDWCCC-VXGBXAGGSA-N 2 0 269.393 -0.635 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000891539465 584584828 /nfs/dbraw/zinc/58/48/28/584584828.db2.gz BBCJKILVYSKGBY-YNEHKIRRSA-N 2 0 283.420 -0.199 20 0 CBADRP NC(=O)CN1CCCN(c2nccn3cncc23)CC1 ZINC000891934009 584594631 /nfs/dbraw/zinc/59/46/31/584594631.db2.gz BOFFQVFAQVUQNC-UHFFFAOYSA-N 2 0 274.328 -0.273 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891973212 584596481 /nfs/dbraw/zinc/59/64/81/584596481.db2.gz QIMQENQKQZQQES-STQMWFEESA-N 2 0 281.404 -0.573 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCCN3CC[NH2+]CC3)CC[C@H]21 ZINC000891972849 584596505 /nfs/dbraw/zinc/59/65/05/584596505.db2.gz LUYOQQSFSHBLCS-ZIAGYGMSSA-N 2 0 295.431 -0.373 20 0 CBADRP [NH3+]CCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891976674 584596907 /nfs/dbraw/zinc/59/69/07/584596907.db2.gz GQXMPEHLXRZPSG-ZDUSSCGKSA-N 2 0 299.419 -0.959 20 0 CBADRP C[NH2+]CCNC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000891994505 584597778 /nfs/dbraw/zinc/59/77/78/584597778.db2.gz WCTVCUPETFMSOZ-UHFFFAOYSA-N 2 0 258.366 -0.336 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC[C@@H]1CCC[NH2+]1)C2 ZINC000892000886 584598337 /nfs/dbraw/zinc/59/83/37/584598337.db2.gz VFQQDHQHFAJIAS-GMXVVIOVSA-N 2 0 252.362 -0.011 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000892055947 584602378 /nfs/dbraw/zinc/60/23/78/584602378.db2.gz NTDDCFGVFQYXAS-AAEUAGOBSA-N 2 0 270.377 -0.194 20 0 CBADRP CC(C)([NH3+])CCNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000892166239 584606888 /nfs/dbraw/zinc/60/68/88/584606888.db2.gz HVGIFVFRLRZKNM-JTQLQIEISA-N 2 0 258.366 -0.209 20 0 CBADRP [NH3+]C[C@H]1CCCCN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000892168126 584607006 /nfs/dbraw/zinc/60/70/06/584607006.db2.gz HPGUHZDUVPOACZ-NEPJUHHUSA-N 2 0 270.377 -0.112 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000892168576 584607147 /nfs/dbraw/zinc/60/71/47/584607147.db2.gz JRBOEZVWTSMBCP-SGMGOOAPSA-N 2 0 282.388 -0.051 20 0 CBADRP [NH3+]C[C@H]1CCCCN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000892168127 584607190 /nfs/dbraw/zinc/60/71/90/584607190.db2.gz HPGUHZDUVPOACZ-VXGBXAGGSA-N 2 0 270.377 -0.112 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000892179787 584607738 /nfs/dbraw/zinc/60/77/38/584607738.db2.gz KJRFLBJNIVEYJB-IJLUTSLNSA-N 2 0 270.377 -0.209 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC[C@@H]21 ZINC000892181827 584607743 /nfs/dbraw/zinc/60/77/43/584607743.db2.gz VYBQNEGMFJJKGG-AGIUHOORSA-N 2 0 282.388 -0.290 20 0 CBADRP [NH3+][C@@H]1CCCCCN(C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000892179108 584607814 /nfs/dbraw/zinc/60/78/14/584607814.db2.gz GNZGGQXCDYJPBE-NEPJUHHUSA-N 2 0 270.377 -0.112 20 0 CBADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H]1C[NH2+]CCO1 ZINC000892183851 584608027 /nfs/dbraw/zinc/60/80/27/584608027.db2.gz LRKLMJVQWPKVQS-RNJOBUHISA-N 2 0 282.388 -0.195 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000892183114 584608060 /nfs/dbraw/zinc/60/80/60/584608060.db2.gz BURGXJUGFSHCDP-TUAOUCFPSA-N 2 0 268.361 -0.489 20 0 CBADRP CCC1([NH3+])CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000892187733 584608341 /nfs/dbraw/zinc/60/83/41/584608341.db2.gz CEYPHMCNRTZLHJ-NSHDSACASA-N 2 0 270.377 -0.112 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000892189980 584608650 /nfs/dbraw/zinc/60/86/50/584608650.db2.gz QTFZSKCOIOBYKB-GMTAPVOTSA-N 2 0 256.350 -0.456 20 0 CBADRP CCN(C(=O)NC[C@@H]1C[NH2+]CCO1)[C@H]1CC[NH2+]C1 ZINC000892190283 584609015 /nfs/dbraw/zinc/60/90/15/584609015.db2.gz XWHXTZZRQSLRAC-QWRGUYRKSA-N 2 0 256.350 -0.632 20 0 CBADRP [NH3+]C1(CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCOCC1 ZINC000892278848 584611843 /nfs/dbraw/zinc/61/18/43/584611843.db2.gz FMXJJIIAONEHJS-PHIMTYICSA-N 2 0 268.361 -0.360 20 0 CBADRP CCC1([NH3+])CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000892291608 584613577 /nfs/dbraw/zinc/61/35/77/584613577.db2.gz XOFCZILHZMCMKJ-NSHDSACASA-N 2 0 270.377 -0.112 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCC(O)CC1 ZINC000892331460 584615367 /nfs/dbraw/zinc/61/53/67/584615367.db2.gz WPWKONCHGLFNNG-LBPRGKRZSA-N 2 0 284.404 -0.164 20 0 CBADRP CN1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000892549551 584618384 /nfs/dbraw/zinc/61/83/84/584618384.db2.gz WHMOZHWTAJZKDB-AXFHLTTASA-N 2 0 255.366 -0.992 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892562628 584618979 /nfs/dbraw/zinc/61/89/79/584618979.db2.gz JEZHVVSGZBMLMZ-TXEJJXNPSA-N 2 0 272.393 -0.057 20 0 CBADRP [NH3+]CCN(CCO)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892587354 584620113 /nfs/dbraw/zinc/62/01/13/584620113.db2.gz KYZINKGIPDTMFJ-ZSBIGDGJSA-N 2 0 270.377 -0.520 20 0 CBADRP [NH3+]CCN(CCO)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892790119 584625937 /nfs/dbraw/zinc/62/59/37/584625937.db2.gz XPRKLQGPAWMCBU-AWEZNQCLSA-N 2 0 292.383 -0.337 20 0 CBADRP CN1CCN(C(=O)NCCC(C)(C)[NH3+])[C@H](C[NH3+])C1 ZINC000892852029 584628542 /nfs/dbraw/zinc/62/85/42/584628542.db2.gz YQSZHMNWLZWMHP-SNVBAGLBSA-N 2 0 257.382 -0.602 20 0 CBADRP O=C(NCCNc1cc[nH+]cc1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895799993 584686918 /nfs/dbraw/zinc/68/69/18/584686918.db2.gz WUSDITHEACJNII-AWEZNQCLSA-N 2 0 290.367 -0.248 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000895819299 584687681 /nfs/dbraw/zinc/68/76/81/584687681.db2.gz WNNDVOYMQZYIRT-AAEUAGOBSA-N 2 0 267.373 -0.225 20 0 CBADRP C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)[C@@H]1C[N@H+](C)CCN1C ZINC000896531568 584701188 /nfs/dbraw/zinc/70/11/88/584701188.db2.gz PSWNUTWWUHKTGA-UTUOFQBUSA-N 2 0 256.394 -0.313 20 0 CBADRP C[C@H]1[C@@H](NC(=O)N2CCN(C)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000896617772 584703978 /nfs/dbraw/zinc/70/39/78/584703978.db2.gz KADYEDBESCXMMB-KBPBESRZSA-N 2 0 297.447 -0.032 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000897469296 584717364 /nfs/dbraw/zinc/71/73/64/584717364.db2.gz HULKKQUEWUFJSH-QWHCGFSZSA-N 2 0 284.404 -0.306 20 0 CBADRP C[NH2+]C1(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)CCC1 ZINC000897896677 584726692 /nfs/dbraw/zinc/72/66/92/584726692.db2.gz WPPCOEFDDZUNED-LBPRGKRZSA-N 2 0 267.373 -0.035 20 0 CBADRP Cn1nnnc1CCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000898037695 584729741 /nfs/dbraw/zinc/72/97/41/584729741.db2.gz UZMCJNHNTVFKQR-UHFFFAOYSA-N 2 0 296.419 -0.032 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000899224862 584753726 /nfs/dbraw/zinc/75/37/26/584753726.db2.gz VLZQPZMPWMFBBN-CHWSQXEVSA-N 2 0 267.373 -0.083 20 0 CBADRP O[C@@H](C[NH2+]CCCC[NH+]1CCOCC1)C1(O)CCC1 ZINC000899869853 584782111 /nfs/dbraw/zinc/78/21/11/584782111.db2.gz BIWHFNCIXGFWGC-ZDUSSCGKSA-N 2 0 272.389 -0.036 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000899904871 584783548 /nfs/dbraw/zinc/78/35/48/584783548.db2.gz RASKTCPCDAWUTM-AAEUAGOBSA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@@H+]1CCC[C@](O)(CC(=O)N2CCC[NH+](C)CC2)C1 ZINC000899936329 584785917 /nfs/dbraw/zinc/78/59/17/584785917.db2.gz ZEZXZJTXYSFQLV-AWEZNQCLSA-N 2 0 269.389 -0.003 20 0 CBADRP C[NH+](C)C(C)(C)CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000899963061 584787040 /nfs/dbraw/zinc/78/70/40/584787040.db2.gz BCBZWMFATIEYAB-GWCFXTLKSA-N 2 0 257.378 -0.102 20 0 CBADRP C[NH+](C)CCN1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900009471 584788949 /nfs/dbraw/zinc/78/89/49/584788949.db2.gz IRHQQCAECKYTFA-UHFFFAOYSA-N 2 0 280.416 -0.212 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000900221403 584795832 /nfs/dbraw/zinc/79/58/32/584795832.db2.gz PGQBYZMWFLZWRY-UKRRQHHQSA-N 2 0 299.415 -0.330 20 0 CBADRP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000900305190 584799130 /nfs/dbraw/zinc/79/91/30/584799130.db2.gz GWDSJDCSQBXWQE-NQBHXWOUSA-N 2 0 255.362 -0.491 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900306265 584799218 /nfs/dbraw/zinc/79/92/18/584799218.db2.gz QDQNDITXSORPFT-OCCSQVGLSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900306711 584799356 /nfs/dbraw/zinc/79/93/56/584799356.db2.gz UOZKKLWRSPRTHE-YRGRVCCFSA-N 2 0 269.389 -0.101 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900383740 584801680 /nfs/dbraw/zinc/80/16/80/584801680.db2.gz XLDMWXXUQGAFQK-DZGCQCFKSA-N 2 0 299.415 -0.332 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000900624323 584816913 /nfs/dbraw/zinc/81/69/13/584816913.db2.gz PLDPVAJJFZPOCW-GFCCVEGCSA-N 2 0 267.373 -0.081 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CC1 ZINC000900634113 584817713 /nfs/dbraw/zinc/81/77/13/584817713.db2.gz SCNAYAIYPDCAKL-GXTWGEPZSA-N 2 0 269.389 -0.004 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900686618 584821656 /nfs/dbraw/zinc/82/16/56/584821656.db2.gz NOUSHMPGQMUGLI-UKRRQHHQSA-N 2 0 298.431 -0.805 20 0 CBADRP C[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000900696251 584822941 /nfs/dbraw/zinc/82/29/41/584822941.db2.gz UHXGFWCANUCRQS-IPYPFGDCSA-N 2 0 298.431 -0.806 20 0 CBADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H]1C[N@H+](C)CCN1C ZINC000900802288 584827722 /nfs/dbraw/zinc/82/77/22/584827722.db2.gz DOAILMUNZBDGRF-QWHCGFSZSA-N 2 0 280.416 -0.167 20 0 CBADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H]1C[N@H+](C)CCN1C ZINC000900802289 584827774 /nfs/dbraw/zinc/82/77/74/584827774.db2.gz DOAILMUNZBDGRF-STQMWFEESA-N 2 0 280.416 -0.167 20 0 CBADRP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)[C@H]1C[NH+](C)CCN1C ZINC000900807997 584827963 /nfs/dbraw/zinc/82/79/63/584827963.db2.gz XVOPBKVBJMQNPA-XPCVCDNBSA-N 2 0 298.431 -0.808 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900980533 584836397 /nfs/dbraw/zinc/83/63/97/584836397.db2.gz MGLDESSHCCRSPB-SWLSCSKDSA-N 2 0 299.415 -0.332 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000901134239 584850993 /nfs/dbraw/zinc/85/09/93/584850993.db2.gz JYODDGWPFAQSSV-NFAWXSAZSA-N 2 0 299.415 -0.596 20 0 CBADRP C[NH+](C)CCn1nccc1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000901185634 584853869 /nfs/dbraw/zinc/85/38/69/584853869.db2.gz FIOIEUDACQPXHM-AWEZNQCLSA-N 2 0 297.403 -0.513 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)C1 ZINC000902403000 584876311 /nfs/dbraw/zinc/87/63/11/584876311.db2.gz GDLJHSWYMHLJND-GHMZBOCLSA-N 2 0 278.418 -0.240 20 0 CBADRP O=c1ccn(CCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c(=O)[nH]1 ZINC000902519726 584877840 /nfs/dbraw/zinc/87/78/40/584877840.db2.gz MGBXELVEKUSJLX-FUVSOYRFSA-N 2 0 290.367 -0.075 20 0 CBADRP O[C@H](C[NH2+][C@@H]1CCO[C@]12CCOC2)C[NH+]1CCCC1 ZINC000903075641 584889050 /nfs/dbraw/zinc/88/90/50/584889050.db2.gz AVTAYEHUZKKSEC-MCIONIFRSA-N 2 0 270.373 -0.019 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903423253 584890310 /nfs/dbraw/zinc/89/03/10/584890310.db2.gz QXRGUXNUCUHUPA-UPJWGTAASA-N 3 0 268.405 -0.099 20 0 CBADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000903475748 584891174 /nfs/dbraw/zinc/89/11/74/584891174.db2.gz CDKLOYAVKMCOEW-MRTXSQPYSA-N 3 0 294.399 -0.019 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H]1CCCN(C)C1=O)C2 ZINC000903492429 584891619 /nfs/dbraw/zinc/89/16/19/584891619.db2.gz CSYKIAGAONWEQY-YFCNSXCBSA-N 2 0 295.383 -0.181 20 0 CBADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)C1=O ZINC000903495307 584891862 /nfs/dbraw/zinc/89/18/62/584891862.db2.gz ZWVKGHHUYARFFP-OXIQGZBJSA-N 2 0 295.383 -0.181 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H]1CCN(C)C1=O)C2 ZINC000903493748 584891876 /nfs/dbraw/zinc/89/18/76/584891876.db2.gz WIUYZECNMLFMJP-MIJXAVMKSA-N 2 0 281.356 -0.571 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C2 ZINC000903493167 584891943 /nfs/dbraw/zinc/89/19/43/584891943.db2.gz NIFXRHIPSROWTC-DEKYYXRVSA-N 2 0 283.372 -0.325 20 0 CBADRP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H]1CC[NH3+] ZINC000903499765 584892006 /nfs/dbraw/zinc/89/20/06/584892006.db2.gz NFCYUGDPYHCSKY-CHWSQXEVSA-N 3 0 268.405 -0.275 20 0 CBADRP C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C(=O)N(C)C ZINC000903496917 584892091 /nfs/dbraw/zinc/89/20/91/584892091.db2.gz KDQOCDNOWCALKR-IJLUTSLNSA-N 2 0 284.404 -0.504 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000903520299 584892324 /nfs/dbraw/zinc/89/23/24/584892324.db2.gz SFGQTRZRQCFOOD-QWHCGFSZSA-N 2 0 287.429 0.000 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000903548873 584892899 /nfs/dbraw/zinc/89/28/99/584892899.db2.gz JGFNUYXUWYGCAG-IJLUTSLNSA-N 2 0 291.417 -0.860 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000903564108 584893313 /nfs/dbraw/zinc/89/33/13/584893313.db2.gz PIKJMCWSHHWWGY-ADEWGFFLSA-N 2 0 288.417 -0.603 20 0 CBADRP C[NH2+]CCN(C(C)C)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000903591721 584894186 /nfs/dbraw/zinc/89/41/86/584894186.db2.gz SVYDTBKNPGJISJ-NSHDSACASA-N 2 0 279.406 -0.766 20 0 CBADRP CC(C)[N@@H+](CC(N)=O)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717423 584895688 /nfs/dbraw/zinc/89/56/88/584895688.db2.gz AEZVTDURSKCUFY-YPMHNXCESA-N 2 0 255.362 -0.049 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903716602 584895703 /nfs/dbraw/zinc/89/57/03/584895703.db2.gz QAVDNCIBROUWMT-HUUCEWRRSA-N 3 0 282.432 -0.408 20 0 CBADRP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722319 584895741 /nfs/dbraw/zinc/89/57/41/584895741.db2.gz KOZOOFVPZUHTKV-DYEKYZERSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000903719776 584895799 /nfs/dbraw/zinc/89/57/99/584895799.db2.gz VSGKZHIXSCILCW-GFCCVEGCSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[C@@H]1C(=O)NCCN1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903730790 584896265 /nfs/dbraw/zinc/89/62/65/584896265.db2.gz ZHMAOPMYUCKZHP-YRGRVCCFSA-N 2 0 267.373 -0.035 20 0 CBADRP CN1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1=O ZINC000903730703 584896275 /nfs/dbraw/zinc/89/62/75/584896275.db2.gz YQAKLKCZKMQIKR-LBPRGKRZSA-N 2 0 267.373 -0.081 20 0 CBADRP Cn1ccnc1[C@H]1C[NH2+]CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000903747010 584897021 /nfs/dbraw/zinc/89/70/21/584897021.db2.gz NKPOKMPNHAHQJV-ZIAGYGMSSA-N 2 0 293.415 -0.177 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903746307 584897042 /nfs/dbraw/zinc/89/70/42/584897042.db2.gz CCYPVESSBODTDG-AVGNSLFASA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000903750807 584897398 /nfs/dbraw/zinc/89/73/98/584897398.db2.gz UINGSERWLWPGKC-AVGNSLFASA-N 2 0 296.415 -0.123 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903749722 584897426 /nfs/dbraw/zinc/89/74/26/584897426.db2.gz PKEAYMHUTZKBTA-YDHLFZDLSA-N 2 0 297.399 -0.408 20 0 CBADRP CN(C)C(=O)[C@H]1CN(C[C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC000903756336 584897728 /nfs/dbraw/zinc/89/77/28/584897728.db2.gz QHPFVAVTOMHBNL-CHWSQXEVSA-N 2 0 268.405 -0.262 20 0 CBADRP O[C@@H]1C[C@H]2CN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC[N@@H+]2C1 ZINC000903769145 584897980 /nfs/dbraw/zinc/89/79/80/584897980.db2.gz YRCDLDJUKWCDCM-LJISPDSOSA-N 2 0 281.400 -0.494 20 0 CBADRP O[C@@H]1C[C@H]2CN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC[N@@H+]2C1 ZINC000903769144 584898023 /nfs/dbraw/zinc/89/80/23/584898023.db2.gz YRCDLDJUKWCDCM-GBJTYRQASA-N 2 0 281.400 -0.494 20 0 CBADRP CC(=O)NCC[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903764708 584898058 /nfs/dbraw/zinc/89/80/58/584898058.db2.gz VGVZYFUMRZTRPG-QWHCGFSZSA-N 2 0 255.362 -0.177 20 0 CBADRP CC(=O)N[C@@H]1CC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903768651 584898123 /nfs/dbraw/zinc/89/81/23/584898123.db2.gz OHZDIXBXQWIGEC-MGPQQGTHSA-N 2 0 267.373 -0.035 20 0 CBADRP C[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000903770043 584898317 /nfs/dbraw/zinc/89/83/17/584898317.db2.gz BNEGRQIUZZEHMC-KZVDOYCCSA-N 2 0 267.373 -0.049 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903770831 584898350 /nfs/dbraw/zinc/89/83/50/584898350.db2.gz ZDFLBTPQJDSCNK-KGLIPLIRSA-N 3 0 271.405 -0.077 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC[C@H]21 ZINC000903776093 584899214 /nfs/dbraw/zinc/89/92/14/584899214.db2.gz JDDUBWURVFHSTM-RWMBFGLXSA-N 2 0 294.399 -0.511 20 0 CBADRP CN1C(=O)[C@H]2C[N@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C[C@H]2C1=O ZINC000903777904 584899342 /nfs/dbraw/zinc/89/93/42/584899342.db2.gz HFTDTFCWTGUBDJ-FJJYHAOUSA-N 2 0 293.367 -0.698 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903787447 584899722 /nfs/dbraw/zinc/89/97/22/584899722.db2.gz WQWZYAXVCMZQES-HZSPNIEDSA-N 2 0 269.389 -0.459 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903787446 584899747 /nfs/dbraw/zinc/89/97/47/584899747.db2.gz WQWZYAXVCMZQES-BFHYXJOUSA-N 2 0 269.389 -0.459 20 0 CBADRP C[NH2+]CCN(C(=O)C(=O)N(C)CC[NH+]1CCCC1)C(C)C ZINC000903809788 584900555 /nfs/dbraw/zinc/90/05/55/584900555.db2.gz WABJXWOIEXMCRH-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(CN2CCNC2=O)CC1 ZINC000903823187 584900804 /nfs/dbraw/zinc/90/08/04/584900804.db2.gz CVNAKIUEUNREIT-AWEZNQCLSA-N 2 0 284.404 -0.306 20 0 CBADRP C[NH2+]CCN(C(=O)C(=O)N(C)CC[N@H+](C)C1CC1)C(C)C ZINC000903816789 584900819 /nfs/dbraw/zinc/90/08/19/584900819.db2.gz WRXPWAFFWBNWQU-UHFFFAOYSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903815701 584900873 /nfs/dbraw/zinc/90/08/73/584900873.db2.gz QAFAEKQZISXRFA-UHFFFAOYSA-N 2 0 298.387 -0.323 20 0 CBADRP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1CS(N)(=O)=O ZINC000903827511 584901168 /nfs/dbraw/zinc/90/11/68/584901168.db2.gz UYMZIKGWMSMRLF-WOPDTQHZSA-N 2 0 275.418 -0.158 20 0 CBADRP O=C1CC[N@H+](CCN2CC[NH2+]CC2)CCCCCN1 ZINC000903829572 584901311 /nfs/dbraw/zinc/90/13/11/584901311.db2.gz HVUARTFEXPYXNP-UHFFFAOYSA-N 2 0 268.405 -0.116 20 0 CBADRP C[C@@H]1C[N@H+](CCC[NH2+]C2CC2)C[C@H]1CS(N)(=O)=O ZINC000903827853 584901322 /nfs/dbraw/zinc/90/13/22/584901322.db2.gz YVGHDYCMYOMTRR-MNOVXSKESA-N 2 0 275.418 -0.015 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCCCNC(=O)CC1 ZINC000903830181 584901443 /nfs/dbraw/zinc/90/14/43/584901443.db2.gz VOUICYZESFRGKA-CYBMUJFWSA-N 2 0 257.378 -0.051 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903837044 584901646 /nfs/dbraw/zinc/90/16/46/584901646.db2.gz AQIHCQLOEQBJHV-QWHCGFSZSA-N 2 0 269.389 -0.182 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000903839450 584901698 /nfs/dbraw/zinc/90/16/98/584901698.db2.gz LCFOQGMPMGTIOJ-KGLIPLIRSA-N 2 0 271.405 -0.247 20 0 CBADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCN1CCCS1(=O)=O)C2 ZINC000903840182 584901716 /nfs/dbraw/zinc/90/17/16/584901716.db2.gz OYLZXJONXKSOCO-SRVKXCTJSA-N 2 0 273.402 -0.167 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903864473 584902530 /nfs/dbraw/zinc/90/25/30/584902530.db2.gz VKRJHPDTPSARGK-IHRRRGAJSA-N 2 0 271.405 -0.261 20 0 CBADRP C[NH2+]CCN(C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903872690 584902815 /nfs/dbraw/zinc/90/28/15/584902815.db2.gz AAWFNZILUQSVJE-GFCCVEGCSA-N 2 0 253.394 -0.003 20 0 CBADRP NC(=O)[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903889970 584904080 /nfs/dbraw/zinc/90/40/80/584904080.db2.gz WTKZMBYLYRLGPZ-YATPEIPISA-N 2 0 253.346 -0.297 20 0 CBADRP NS(=O)(=O)[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903908921 584904331 /nfs/dbraw/zinc/90/43/31/584904331.db2.gz PYSPBJHPYYXBIP-YATPEIPISA-N 2 0 273.402 -0.120 20 0 CBADRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@H]2C(=O)NCC[C@@H]2C)cnn1C ZINC000903909312 584904454 /nfs/dbraw/zinc/90/44/54/584904454.db2.gz TVHIYGFDLHIRGT-ZKYQVNSYSA-N 2 0 293.415 -0.040 20 0 CBADRP CC[NH2+]CCNCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903918121 584904570 /nfs/dbraw/zinc/90/45/70/584904570.db2.gz SPVOYPBBSKISES-LLVKDONJSA-N 2 0 252.366 -0.098 20 0 CBADRP COCC[NH2+]CCNCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903919671 584904709 /nfs/dbraw/zinc/90/47/09/584904709.db2.gz PLYWMMWWEWJPPC-GFCCVEGCSA-N 2 0 282.392 -0.472 20 0 CBADRP C[NH2+]C[C@@H](C)NCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903933247 584904833 /nfs/dbraw/zinc/90/48/33/584904833.db2.gz NDKQIWSZVGVEQR-MNOVXSKESA-N 2 0 252.366 -0.100 20 0 CBADRP C[NH2+]CCOCCN(C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903935910 584904852 /nfs/dbraw/zinc/90/48/52/584904852.db2.gz VXXMYEVVGLIQFT-ZDUSSCGKSA-N 2 0 296.419 -0.130 20 0 CBADRP C[NH2+]C[C@H](C)NCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903933249 584904893 /nfs/dbraw/zinc/90/48/93/584904893.db2.gz NDKQIWSZVGVEQR-WDEREUQCSA-N 2 0 252.366 -0.100 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000903964744 584905085 /nfs/dbraw/zinc/90/50/85/584905085.db2.gz PHLFGGUEPFVJIO-ZJUUUORDSA-N 2 0 266.345 -0.971 20 0 CBADRP CC(C)[C@@H](C[NH3+])C[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000903970021 584905319 /nfs/dbraw/zinc/90/53/19/584905319.db2.gz OWTYDVLIODCSRL-NWDGAFQWSA-N 2 0 277.434 -0.416 20 0 CBADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[NH+](C)C ZINC000969845770 614189326 /nfs/dbraw/zinc/18/93/26/614189326.db2.gz JCGOVZLUFYSQCT-JHJVBQTASA-N 2 0 296.415 -0.348 20 0 CBADRP CC(C)[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958593561 614397511 /nfs/dbraw/zinc/39/75/11/614397511.db2.gz AIDWFHDRESFDPV-CHWSQXEVSA-N 2 0 281.400 -0.101 20 0 CBADRP CC1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)CC1 ZINC000962141535 614435300 /nfs/dbraw/zinc/43/53/00/614435300.db2.gz NBBMEIDTRRYCBG-NHAGDIPZSA-N 2 0 281.400 -0.243 20 0 CBADRP CCN1CCO[C@@H](C(=O)N[C@H]2C[N@H+](CCO)CC2(C)C)C1 ZINC000977614507 615171700 /nfs/dbraw/zinc/17/17/00/615171700.db2.gz LKURXRMLKNJWDY-OLZOCXBDSA-N 2 0 299.415 -0.474 20 0 CBADRP CCN1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCF)C[C@H]32)C1 ZINC000962666285 615172076 /nfs/dbraw/zinc/17/20/76/615172076.db2.gz NEPYSEUNYGXJRX-XQHKEYJVSA-N 2 0 285.363 -0.277 20 0 CBADRP CC[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958593919 615372870 /nfs/dbraw/zinc/37/28/70/615372870.db2.gz CZLWPCQSINYIOL-VXGBXAGGSA-N 2 0 267.373 -0.489 20 0 CBADRP CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958375261 615405513 /nfs/dbraw/zinc/40/55/13/615405513.db2.gz SIUFCUZUHQAGSQ-STQMWFEESA-N 2 0 269.389 -0.243 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC000968737964 615584624 /nfs/dbraw/zinc/58/46/24/615584624.db2.gz KKKXHYQQOAOZDK-GRYCIOLGSA-N 2 0 282.388 -0.608 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)CC[N@@H+]1C ZINC000959989013 615585570 /nfs/dbraw/zinc/58/55/70/615585570.db2.gz BLVGXJJNSUTCAW-ODXJTPSBSA-N 2 0 281.400 -0.245 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H](C)O)C1)[NH+](C)C ZINC000969077559 615602731 /nfs/dbraw/zinc/60/27/31/615602731.db2.gz WNZGOMIFFLKNMF-IJLUTSLNSA-N 2 0 257.378 -0.102 20 0 CBADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC000969813569 615821924 /nfs/dbraw/zinc/82/19/24/615821924.db2.gz AUOXGHLPIXUNSP-OLZOCXBDSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC000970716392 615822162 /nfs/dbraw/zinc/82/21/62/615822162.db2.gz DAADZVHLRSAYIC-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC000969629783 615822564 /nfs/dbraw/zinc/82/25/64/615822564.db2.gz HRUNTHPBDYYDTD-AGIUHOORSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCO)C1)C1CC1 ZINC000971677375 615987885 /nfs/dbraw/zinc/98/78/85/615987885.db2.gz JQNDZBQUTKJZOV-OLZOCXBDSA-N 2 0 269.389 -0.148 20 0 CBADRP C[N@H+](CC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC000968924811 616045210 /nfs/dbraw/zinc/04/52/10/616045210.db2.gz YERRLNHFZBWINJ-YPMHNXCESA-N 2 0 294.399 -0.450 20 0 CBADRP C[N@H+](CCO)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980406582 616109996 /nfs/dbraw/zinc/10/99/96/616109996.db2.gz QNPDOWCGIGZEBX-GFCCVEGCSA-N 2 0 255.362 -0.393 20 0 CBADRP C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@H]2CCn3cncc3C2)C1 ZINC000971814949 616111131 /nfs/dbraw/zinc/11/11/31/616111131.db2.gz WNZPQLWMHFEXQK-QWHCGFSZSA-N 2 0 292.383 -0.030 20 0 CBADRP C[N@H+]([C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)[C@H]1CCNC1=O ZINC000980406597 616116454 /nfs/dbraw/zinc/11/64/54/616116454.db2.gz QSYJELHBEACQHG-STQMWFEESA-N 2 0 294.399 -0.497 20 0 CBADRP C[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC000969800132 616166687 /nfs/dbraw/zinc/16/66/87/616166687.db2.gz JZIORMAFSYBEAL-CHWSQXEVSA-N 2 0 294.399 -0.593 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCCO)C[C@H]2O)CC1 ZINC000958373478 616167214 /nfs/dbraw/zinc/16/72/14/616167214.db2.gz FVRRIWAIORPRAT-UONOGXRCSA-N 2 0 299.415 -0.881 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](CCO)CC1 ZINC000981459146 616182838 /nfs/dbraw/zinc/18/28/38/616182838.db2.gz OHVAIDYRXFMKBL-ZDUSSCGKSA-N 2 0 269.389 -0.003 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000969100243 616183159 /nfs/dbraw/zinc/18/31/59/616183159.db2.gz ZDMSREYFUUCWSS-MNOVXSKESA-N 2 0 268.361 -0.854 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969097399 616183430 /nfs/dbraw/zinc/18/34/30/616183430.db2.gz BSXFJCRUOXRNCZ-NEPJUHHUSA-N 2 0 255.362 -0.347 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000978352191 616183694 /nfs/dbraw/zinc/18/36/94/616183694.db2.gz SQXRCAQDWQHGHJ-RVMXOQNASA-N 2 0 294.399 -0.750 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000967924874 616192052 /nfs/dbraw/zinc/19/20/52/616192052.db2.gz JZGDZGMEZXULLK-CHWSQXEVSA-N 2 0 292.387 -0.437 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCO)CC1 ZINC000980839787 616209230 /nfs/dbraw/zinc/20/92/30/616209230.db2.gz NCLZRYCCWXBCJA-ZDUSSCGKSA-N 2 0 269.389 -0.003 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@]3(C2)CN(CCO)CCO3)C1 ZINC000972672888 616265320 /nfs/dbraw/zinc/26/53/20/616265320.db2.gz BPYTVVRRNFQRFE-UKRRQHHQSA-N 2 0 297.399 -0.766 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCO)CC2(C)C)C1 ZINC000977604310 616267142 /nfs/dbraw/zinc/26/71/42/616267142.db2.gz VSWIQHXXAMCDGO-VXGBXAGGSA-N 2 0 269.389 -0.243 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000962298701 616269681 /nfs/dbraw/zinc/26/96/81/616269681.db2.gz CBMCHBNQXQTLFN-RMRHIDDWSA-N 2 0 281.400 -0.243 20 0 CBADRP COCC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958374809 616443331 /nfs/dbraw/zinc/44/33/31/616443331.db2.gz OOZNJJCYWFFXOP-ZIAGYGMSSA-N 2 0 299.415 -0.617 20 0 CBADRP COCC[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958590954 616444181 /nfs/dbraw/zinc/44/41/81/616444181.db2.gz DCXVTVAKLHQFGL-CHWSQXEVSA-N 2 0 297.399 -0.863 20 0 CBADRP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC000958474397 616468962 /nfs/dbraw/zinc/46/89/62/616468962.db2.gz KXQRDXQTTCXLIV-XQHKEYJVSA-N 2 0 283.372 -0.990 20 0 CBADRP CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC000977918516 616640379 /nfs/dbraw/zinc/64/03/79/616640379.db2.gz HTPYWHAVEITPEP-RVMXOQNASA-N 2 0 294.399 -0.879 20 0 CBADRP CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000960583881 616644273 /nfs/dbraw/zinc/64/42/73/616644273.db2.gz YMKZCGXJQRZZKE-CZXHOFHRSA-N 2 0 294.399 -0.737 20 0 CBADRP CC1(C)CC[C@@H](CNS(=O)(=O)C2C[NH2+]C2)[NH2+]C1 ZINC000923664932 658388671 /nfs/dbraw/zinc/38/86/71/658388671.db2.gz FKUAFPRCYZMLQI-VIFPVBQESA-N 2 0 261.391 -0.344 20 0 CBADRP C[C@@H]1CC[C@H](NS(=O)(=O)[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000923664605 658388845 /nfs/dbraw/zinc/38/88/45/658388845.db2.gz YQJNXTYVJVRLOU-OUAUKWLOSA-N 2 0 261.391 -0.202 20 0 CBADRP C[NH+](C)CCOCCNC(=O)NCC1([NH+](C)C)CC1 ZINC000922145027 658009529 /nfs/dbraw/zinc/00/95/29/658009529.db2.gz NMNQQXHOKAMPIB-UHFFFAOYSA-N 2 0 272.393 -0.042 20 0 CBADRP C[NH+](C)C1(CNC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000923008691 658131303 /nfs/dbraw/zinc/13/13/03/658131303.db2.gz UILRRTOUAFFMII-UHFFFAOYSA-N 2 0 284.404 -0.164 20 0 CBADRP [NH3+]CC(C[NH3+])NCC(=O)NCCc1ccc(Cl)cc1 ZINC000923352543 658224280 /nfs/dbraw/zinc/22/42/80/658224280.db2.gz OPTZUAMJQWQSQH-UHFFFAOYSA-N 2 0 284.791 -0.126 20 0 CBADRP C[C@H]1CCCC[C@H]1N(C)C(=O)CNC(C[NH3+])C[NH3+] ZINC000923351297 658224547 /nfs/dbraw/zinc/22/45/47/658224547.db2.gz HBVWIGSXCIDQLK-CMPLNLGQSA-N 2 0 256.394 -0.101 20 0 CBADRP [NH3+]CC(C[NH3+])NCC(=O)N1CCCc2ccccc21 ZINC000923352652 658225148 /nfs/dbraw/zinc/22/51/48/658225148.db2.gz PWFPNJMAXBSBEZ-UHFFFAOYSA-N 2 0 262.357 -0.159 20 0 CBADRP C[C@H](NC(C[NH3+])C[NH3+])C(=O)N[C@H]1CCCC[C@H]1C ZINC000923352719 658225907 /nfs/dbraw/zinc/22/59/07/658225907.db2.gz QOLZROPXUGXDTE-SCVCMEIPSA-N 2 0 256.394 -0.055 20 0 CBADRP CC(C)OCC[C@H](O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000923382777 658246247 /nfs/dbraw/zinc/24/62/47/658246247.db2.gz ULLSOHDGQIEQOL-LBPRGKRZSA-N 2 0 260.378 -0.052 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923453292 658286022 /nfs/dbraw/zinc/28/60/22/658286022.db2.gz WWZYUXGSZJDCRV-QWHCGFSZSA-N 3 0 271.405 -0.213 20 0 CBADRP Cn1nnnc1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923450863 658286977 /nfs/dbraw/zinc/28/69/77/658286977.db2.gz JSAPYULCVDJNGE-SNVBAGLBSA-N 2 0 266.349 -0.460 20 0 CBADRP CC(C)c1nnc(CN2CC[NH2+]CC[NH2+]CC2)n1C ZINC000923459211 658287378 /nfs/dbraw/zinc/28/73/78/658287378.db2.gz DUBMUMBEQVPMMI-UHFFFAOYSA-N 2 0 266.393 -0.067 20 0 CBADRP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](CC[NH3+])C2)CC1 ZINC000923484676 658305268 /nfs/dbraw/zinc/30/52/68/658305268.db2.gz AIRODVJQTCOYKO-OCCSQVGLSA-N 2 0 296.415 -0.264 20 0 CBADRP NS(=O)(=O)C[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000923531081 658314613 /nfs/dbraw/zinc/31/46/13/658314613.db2.gz NNSRHKCUPCQKDX-LBPRGKRZSA-N 2 0 275.418 -0.014 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000923531415 658315153 /nfs/dbraw/zinc/31/51/53/658315153.db2.gz POBHAUOHCCQFIK-VWYCJHECSA-N 2 0 261.391 -0.548 20 0 CBADRP O=S(=O)(NC[C@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000923564956 658329844 /nfs/dbraw/zinc/32/98/44/658329844.db2.gz DALIXNPGCXFWTE-GHMZBOCLSA-N 2 0 261.391 -0.200 20 0 CBADRP O=S(=O)(NCC1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000923563045 658329991 /nfs/dbraw/zinc/32/99/91/658329991.db2.gz PPKBSAPZAXKKKB-NSHDSACASA-N 2 0 261.391 -0.343 20 0 CBADRP C[NH2+]C[C@H]1CCCN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923572255 658333707 /nfs/dbraw/zinc/33/37/07/658333707.db2.gz CGYXPDLMGMABPF-MNOVXSKESA-N 2 0 261.391 -0.248 20 0 CBADRP CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923571571 658334257 /nfs/dbraw/zinc/33/42/57/658334257.db2.gz FBBIXAUICRBBFC-LLVKDONJSA-N 2 0 278.422 -0.511 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923572759 658334281 /nfs/dbraw/zinc/33/42/81/658334281.db2.gz LGTUTPINDDNLCW-QWRGUYRKSA-N 2 0 276.406 -0.804 20 0 CBADRP C[C@@H]1C[C@@H](NS(=O)(=O)C2C[NH2+]C2)C[N@@H+]1C1CC1 ZINC000923623363 658358998 /nfs/dbraw/zinc/35/89/98/658358998.db2.gz AORXMUUAMFKFFO-RKDXNWHRSA-N 2 0 259.375 -0.497 20 0 CBADRP C[C@@H]1C[C@@H](NS(=O)(=O)[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000923636941 658368744 /nfs/dbraw/zinc/36/87/44/658368744.db2.gz QLJHJKJTRXSKQX-VWYCJHECSA-N 2 0 261.391 -0.202 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)N3CC[NH2+]CC3)C[C@@H]21 ZINC000923637514 658369148 /nfs/dbraw/zinc/36/91/48/658369148.db2.gz QJPZXJCYSLAICW-SDDRHHMPSA-N 2 0 288.417 -0.804 20 0 CBADRP C[C@@H]1C[C@@H](NS(=O)(=O)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000923636940 658369417 /nfs/dbraw/zinc/36/94/17/658369417.db2.gz QLJHJKJTRXSKQX-OUAUKWLOSA-N 2 0 261.391 -0.202 20 0 CBADRP CC[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000923636735 658369570 /nfs/dbraw/zinc/36/95/70/658369570.db2.gz NHGPNGUGHGUCCH-MNOVXSKESA-N 2 0 276.406 -0.804 20 0 CBADRP [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923642313 658371023 /nfs/dbraw/zinc/37/10/23/658371023.db2.gz CCOBBQIOBAGQEF-NSHDSACASA-N 2 0 276.406 -0.660 20 0 CBADRP [NH3+]CC[C@H]1CCCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923642312 658371809 /nfs/dbraw/zinc/37/18/09/658371809.db2.gz CCOBBQIOBAGQEF-LLVKDONJSA-N 2 0 276.406 -0.660 20 0 CBADRP [NH3+]CC12CCC(CC1)CN2S(=O)(=O)N1CC[NH2+]CC1 ZINC000923652290 658378748 /nfs/dbraw/zinc/37/87/48/658378748.db2.gz KWJFDVMTVMNBKQ-UHFFFAOYSA-N 2 0 288.417 -0.660 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923656772 658380903 /nfs/dbraw/zinc/38/09/03/658380903.db2.gz YDRPZOGRYVVJLG-TUAOUCFPSA-N 2 0 275.418 -0.002 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000923655336 658381216 /nfs/dbraw/zinc/38/12/16/658381216.db2.gz NPCHAHPBAXOURD-LBPRGKRZSA-N 2 0 287.429 0.000 20 0 CBADRP COCCC[N@H+](C)CCN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924693634 658631553 /nfs/dbraw/zinc/63/15/53/658631553.db2.gz FGTGERAVIIUNQW-LLVKDONJSA-N 2 0 286.376 -0.563 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCO ZINC000925014187 658781950 /nfs/dbraw/zinc/78/19/50/658781950.db2.gz FCBLPKZHXNQLCW-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP CC[N@@H+]1CC[C@@H](N2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000925320973 658824626 /nfs/dbraw/zinc/82/46/26/658824626.db2.gz IGDGVEIGBIUPAM-ZJUUUORDSA-N 2 0 254.334 -0.437 20 0 CBADRP COC(=O)c1cn(CCN[C@H]2CCC[NH2+][C@@H]2C)nn1 ZINC000925665346 658864899 /nfs/dbraw/zinc/86/48/99/658864899.db2.gz DLGLIYJHICGFJY-ZJUUUORDSA-N 2 0 267.333 -0.205 20 0 CBADRP OCc1cn(CCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)nn1 ZINC000925669005 658865012 /nfs/dbraw/zinc/86/50/12/658865012.db2.gz NJYVWPIUJAOUAY-SZZQBSIJSA-N 2 0 277.372 -0.254 20 0 CBADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000925789569 658871762 /nfs/dbraw/zinc/87/17/62/658871762.db2.gz WDXCAKACTOTVRD-UPJWGTAASA-N 2 0 289.445 -0.259 20 0 CBADRP OC[C@@H](O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000930804649 659341558 /nfs/dbraw/zinc/34/15/58/659341558.db2.gz LWCVKSDBPGBDTG-ZDUSSCGKSA-N 2 0 251.330 -0.053 20 0 CBADRP CN1CCC[C@@H]([NH+]2CCC(O)(C[NH+](C)C)CC2)C1=O ZINC000931482489 659472472 /nfs/dbraw/zinc/47/24/72/659472472.db2.gz IKXVZDRNWQEOGV-GFCCVEGCSA-N 2 0 269.389 -0.004 20 0 CBADRP C[NH+]1CCC(OCC(=O)NCC[NH+]2CCC2)CC1 ZINC000935042908 659816525 /nfs/dbraw/zinc/81/65/25/659816525.db2.gz GQMVNNJRCSNSDN-UHFFFAOYSA-N 2 0 255.362 -0.081 20 0 CBADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C[NH3+])CC2)CCO1 ZINC000044513513 656010321 /nfs/dbraw/zinc/01/03/21/656010321.db2.gz GEZWBOQTDSCXAA-NSHDSACASA-N 2 0 255.362 -0.096 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=[NH2+])NC1CC1 ZINC000066246633 656036164 /nfs/dbraw/zinc/03/61/64/656036164.db2.gz XYOCRRJPRTZXQX-LBPRGKRZSA-N 2 0 281.404 -0.004 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000068890081 656038289 /nfs/dbraw/zinc/03/82/89/656038289.db2.gz AIJARCWTQUZDEO-BDAKNGLRSA-N 2 0 283.294 -0.304 20 0 CBADRP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070171072 656039908 /nfs/dbraw/zinc/03/99/08/656039908.db2.gz QVSKHJVRYFKSDT-SNVBAGLBSA-N 2 0 256.350 -0.107 20 0 CBADRP C[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)[NH+](C)C ZINC000071215529 656041640 /nfs/dbraw/zinc/04/16/40/656041640.db2.gz WSIJNTDVFNXVND-JTQLQIEISA-N 2 0 280.376 -0.118 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC[S@@](C)=O ZINC000074568269 656042892 /nfs/dbraw/zinc/04/28/92/656042892.db2.gz XWODKGAFJHXZNH-IBGZPJMESA-N 2 0 292.449 -0.500 20 0 CBADRP O=C(C[NH2+]C1CC1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000091668839 656058863 /nfs/dbraw/zinc/05/88/63/656058863.db2.gz YNUIWWWBAQKRCL-RYUDHWBXSA-N 2 0 253.346 -0.282 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC[NH2+]CC1 ZINC000091668586 656059232 /nfs/dbraw/zinc/05/92/32/656059232.db2.gz OCCUYDGQRPMBBO-QWHCGFSZSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000092957563 656060497 /nfs/dbraw/zinc/06/04/97/656060497.db2.gz LMIDITYHLLQYSN-LOWDOPEQSA-N 2 0 267.373 -0.036 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000132834393 656069118 /nfs/dbraw/zinc/06/91/18/656069118.db2.gz IGBISWHXHAEUQQ-ZDUSSCGKSA-N 2 0 269.389 -0.099 20 0 CBADRP COC(C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1)OC ZINC000161749021 656078881 /nfs/dbraw/zinc/07/88/81/656078881.db2.gz JSKUBXVDLZBKGL-UHFFFAOYSA-N 2 0 287.404 -0.005 20 0 CBADRP CN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H]1CC[NH2+]C1 ZINC000179085883 656089749 /nfs/dbraw/zinc/08/97/49/656089749.db2.gz KFEVLSVVUUJQHM-RYUDHWBXSA-N 2 0 282.388 -0.783 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188183159 656095938 /nfs/dbraw/zinc/09/59/38/656095938.db2.gz WDIKZLKCAWSYNF-UHFFFAOYSA-N 2 0 263.345 -0.215 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000228190630 656109503 /nfs/dbraw/zinc/10/95/03/656109503.db2.gz XIEOLCCIOBMCKA-MJBXVCDLSA-N 2 0 299.415 -0.426 20 0 CBADRP CNC(=O)[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000232289066 656113684 /nfs/dbraw/zinc/11/36/84/656113684.db2.gz MREPOWGNZQWMKU-GFCCVEGCSA-N 2 0 282.388 -0.734 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC2CCC([NH3+])CC2)CC1=O ZINC000237160270 656116132 /nfs/dbraw/zinc/11/61/32/656116132.db2.gz YCZKRIVMQSJNHW-HIFPTAJRSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CCC[C@H](CNS(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000250592154 656122102 /nfs/dbraw/zinc/12/21/02/656122102.db2.gz HRGRKXWFLSXUIL-NEPJUHHUSA-N 2 0 275.418 0.000 20 0 CBADRP O=C(NC[C@@H]1CCCN([C@H]2CCOC2=O)C1)[C@H]1CCC[NH2+]1 ZINC000250990285 656122352 /nfs/dbraw/zinc/12/23/52/656122352.db2.gz CIPVYKKXZCJWFL-XQQFMLRXSA-N 2 0 295.383 -0.118 20 0 CBADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)N1CCOCC1 ZINC000261667596 656125248 /nfs/dbraw/zinc/12/52/48/656125248.db2.gz ZPOSBZRYIQIZNA-UHFFFAOYSA-N 2 0 267.373 -0.079 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261804324 656126486 /nfs/dbraw/zinc/12/64/86/656126486.db2.gz HCZURGLBOVBDOR-ZJUUUORDSA-N 2 0 296.337 -0.078 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC1([NH3+])CCCCC1 ZINC000262109557 656128769 /nfs/dbraw/zinc/12/87/69/656128769.db2.gz MOAZSPYOZPBJHM-LBPRGKRZSA-N 2 0 284.404 -0.136 20 0 CBADRP CO[C@H]1COCC[C@H]1[N@H+](C)CCN1CC[NH2+]CC1 ZINC000310863052 656144218 /nfs/dbraw/zinc/14/42/18/656144218.db2.gz OHVFWYFQPKRIFF-OLZOCXBDSA-N 2 0 257.378 -0.373 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](C)[C@H](C)C1 ZINC000310849829 656144483 /nfs/dbraw/zinc/14/44/83/656144483.db2.gz IWDVXSKREPNADZ-OLZOCXBDSA-N 2 0 259.394 -0.439 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000310959583 656144888 /nfs/dbraw/zinc/14/48/88/656144888.db2.gz PMLDESHFRAFOOI-VXGBXAGGSA-N 2 0 255.362 -0.097 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN(C)CC(C)(C)C[NH3+] ZINC000310979816 656145127 /nfs/dbraw/zinc/14/51/27/656145127.db2.gz DUSKJOFPTBCMCW-LBPRGKRZSA-N 2 0 261.410 -0.158 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000311169810 656145812 /nfs/dbraw/zinc/14/58/12/656145812.db2.gz RZFYWDUEFOTBCM-AGIUHOORSA-N 2 0 259.394 -0.405 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000311972173 656146502 /nfs/dbraw/zinc/14/65/02/656146502.db2.gz BIXJAZQRVLOYMD-RDBSUJKOSA-N 2 0 271.405 -0.391 20 0 CBADRP C[N@H+](C[C@H](O)CNC[C@@H]1C[NH+]2CCC[C@H]2CO1)C1CC1 ZINC000312321603 656146687 /nfs/dbraw/zinc/14/66/87/656146687.db2.gz GKBHVJZZSIUBBK-RRFJBIMHSA-N 2 0 283.416 -0.106 20 0 CBADRP COCCN(C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000313080208 656147437 /nfs/dbraw/zinc/14/74/37/656147437.db2.gz LGGDWXKNUBOUCX-BYNSBNAKSA-N 2 0 285.432 -0.015 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)Cn1cc(C[NH2+]C(C)C)nn1 ZINC000312799971 656147652 /nfs/dbraw/zinc/14/76/52/656147652.db2.gz RETWAMIHDFEJKA-CYBMUJFWSA-N 2 0 285.392 -0.285 20 0 CBADRP [NH3+]C[C@H]1CN(C[C@H](O)C[NH+]2CCCC2)CCCO1 ZINC000313342612 656147721 /nfs/dbraw/zinc/14/77/21/656147721.db2.gz GTYICFXMLCJACI-OLZOCXBDSA-N 2 0 257.378 -0.507 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C[C@@H](O)C[NH+]1CCCC1)C2 ZINC000702124136 656179938 /nfs/dbraw/zinc/17/99/38/656179938.db2.gz HOGVCCKQLFFUJO-MELADBBJSA-N 2 0 253.390 -0.016 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000702420314 656180533 /nfs/dbraw/zinc/18/05/33/656180533.db2.gz LUHZWZHYICBALP-LBPRGKRZSA-N 2 0 256.394 -0.134 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000702416968 656180552 /nfs/dbraw/zinc/18/05/52/656180552.db2.gz JXSRDILIHBXLAI-STQMWFEESA-N 2 0 268.405 -0.038 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000702422109 656180626 /nfs/dbraw/zinc/18/06/26/656180626.db2.gz RGAOMHFYXXRHKQ-NEPJUHHUSA-N 2 0 256.394 -0.278 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000702415515 656180874 /nfs/dbraw/zinc/18/08/74/656180874.db2.gz BMSPCKFIGOBGAS-FRRDWIJNSA-N 2 0 268.405 -0.182 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000705232222 656185005 /nfs/dbraw/zinc/18/50/05/656185005.db2.gz FVXWPLWYEIJNQF-NSHDSACASA-N 2 0 256.394 -0.134 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000705234222 656185220 /nfs/dbraw/zinc/18/52/20/656185220.db2.gz QHSMGENCIPKKPD-LBPRGKRZSA-N 2 0 256.394 -0.136 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000705695496 656187094 /nfs/dbraw/zinc/18/70/94/656187094.db2.gz MITABIMEIXNZMY-CYBMUJFWSA-N 2 0 257.378 -0.053 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000705916639 656187802 /nfs/dbraw/zinc/18/78/02/656187802.db2.gz BCOIQIDXPYOAIC-YNEHKIRRSA-N 3 0 270.421 -0.208 20 0 CBADRP CCNC(=O)CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710628174 656199340 /nfs/dbraw/zinc/19/93/40/656199340.db2.gz XCOSGXKLOAVKKX-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CCC(O)(C[NH+](C)C)CC1 ZINC000710663317 656199517 /nfs/dbraw/zinc/19/95/17/656199517.db2.gz DGKQFGKGWHJVAO-CYBMUJFWSA-N 2 0 273.421 -0.313 20 0 CBADRP COC[C@@]1(C(=O)NC2CC[NH+](C)CC2)C[NH2+]CCO1 ZINC000710756083 656200679 /nfs/dbraw/zinc/20/06/79/656200679.db2.gz UNEWZSPKWPEXIZ-CYBMUJFWSA-N 2 0 271.361 -0.798 20 0 CBADRP COC[C@@]1(C(=O)NCC[NH+]2CCCC2)C[NH2+]CCO1 ZINC000710755288 656200729 /nfs/dbraw/zinc/20/07/29/656200729.db2.gz NDZKNFADJIVLPQ-CYBMUJFWSA-N 2 0 271.361 -0.797 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)C[NH2+]CCO1 ZINC000710784684 656201238 /nfs/dbraw/zinc/20/12/38/656201238.db2.gz RLSWLGHNMBVYQZ-RISCZKNCSA-N 2 0 285.388 -0.410 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@]2(COC)C[NH2+]CCO2)C1 ZINC000710782144 656201340 /nfs/dbraw/zinc/20/13/40/656201340.db2.gz GTJIPLRVTROCDB-OCCSQVGLSA-N 2 0 285.388 -0.551 20 0 CBADRP C[C@]1(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[NH2+]CCO1 ZINC000710784239 656201392 /nfs/dbraw/zinc/20/13/92/656201392.db2.gz QGEKEUBNVKGTBM-YRGRVCCFSA-N 2 0 283.372 -0.656 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)C[NH2+]CCO1 ZINC000710784682 656201788 /nfs/dbraw/zinc/20/17/88/656201788.db2.gz RLSWLGHNMBVYQZ-BXUZGUMPSA-N 2 0 285.388 -0.410 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H](C)[N@H+](C)C2CC2)C[NH2+]CCO1 ZINC000710784685 656201804 /nfs/dbraw/zinc/20/18/04/656201804.db2.gz RLSWLGHNMBVYQZ-SMDDNHRTSA-N 2 0 285.388 -0.410 20 0 CBADRP COC[C@@]1(C(=O)NCC2CC[NH+](C)CC2)C[NH2+]CCO1 ZINC000710783649 656201831 /nfs/dbraw/zinc/20/18/31/656201831.db2.gz NMOCOXXBERUXDZ-CQSZACIVSA-N 2 0 285.388 -0.551 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@]1(COC)C[NH2+]CCO1)C1CC1 ZINC000710783031 656202035 /nfs/dbraw/zinc/20/20/35/656202035.db2.gz KKYXYSPSUACAAO-AWEZNQCLSA-N 2 0 285.388 -0.408 20 0 CBADRP COC[C@]1(C(=O)N2CCC[C@@H]([NH+](C)C)C2)C[NH2+]CCO1 ZINC000710791858 656202697 /nfs/dbraw/zinc/20/26/97/656202697.db2.gz YSVBYRVGBVCQHM-OCCSQVGLSA-N 2 0 285.388 -0.456 20 0 CBADRP CCCN(CC[NH+](C)C)C(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710837365 656204986 /nfs/dbraw/zinc/20/49/86/656204986.db2.gz AGSFBWZJUPSHSP-CQSZACIVSA-N 2 0 287.404 -0.208 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000715536971 656220015 /nfs/dbraw/zinc/22/00/15/656220015.db2.gz GZIHNHVIBFNNDX-CHWSQXEVSA-N 2 0 268.405 -0.119 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715579882 656220024 /nfs/dbraw/zinc/22/00/24/656220024.db2.gz RPFXPEGQROWMEQ-WOPDTQHZSA-N 2 0 256.394 -0.136 20 0 CBADRP C[NH+]1CCN(CCC[NH2+]C2CC(S(C)(=O)=O)C2)CC1 ZINC000716074608 656222601 /nfs/dbraw/zinc/22/26/01/656222601.db2.gz DURUDLTXBAXFGK-UHFFFAOYSA-N 2 0 289.445 -0.211 20 0 CBADRP O=C(CC[NH2+]CC1CC1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000717196482 656227183 /nfs/dbraw/zinc/22/71/83/656227183.db2.gz NEJYJUJCDVPTSM-AWEZNQCLSA-N 2 0 280.416 -0.118 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877384025 656246762 /nfs/dbraw/zinc/24/67/62/656246762.db2.gz CQOOOIBXMXVMJM-AAEUAGOBSA-N 2 0 252.362 -0.708 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000890066654 656269667 /nfs/dbraw/zinc/26/96/67/656269667.db2.gz XDAGCVLMTMDWQK-DGCLKSJQSA-N 2 0 270.377 -0.554 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892452539 656271443 /nfs/dbraw/zinc/27/14/43/656271443.db2.gz DSDWZNHVAXFMOF-UHFFFAOYSA-N 2 0 270.377 -0.031 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1C[NH+](C)CCN1C ZINC000896560802 656289630 /nfs/dbraw/zinc/28/96/30/656289630.db2.gz TVRLEDPSCZTCHG-XQQFMLRXSA-N 2 0 268.405 -0.311 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000896621695 656291008 /nfs/dbraw/zinc/29/10/08/656291008.db2.gz XBAJOTIDLSINMH-MGPQQGTHSA-N 2 0 296.415 -0.069 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCC(O)CC1 ZINC000896618771 656291171 /nfs/dbraw/zinc/29/11/71/656291171.db2.gz FPIQEMHCCGJACT-LLVKDONJSA-N 2 0 270.377 -0.554 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)N2CC(N3CC[C@@H](O)C3)C2)C1 ZINC000897463752 656293322 /nfs/dbraw/zinc/29/33/22/656293322.db2.gz IFCDNBQBUUUAIW-GXTWGEPZSA-N 2 0 296.415 -0.211 20 0 CBADRP Cn1nnc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n1 ZINC000903507395 656321879 /nfs/dbraw/zinc/32/18/79/656321879.db2.gz YCFAVXFXJSQXHJ-BETUJISGSA-N 2 0 291.403 -0.389 20 0 CBADRP Cn1nnnc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507028 656322101 /nfs/dbraw/zinc/32/21/01/656322101.db2.gz KCZBVBNCZMCATA-BETUJISGSA-N 2 0 291.403 -0.389 20 0 CBADRP NS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904320458 656323986 /nfs/dbraw/zinc/32/39/86/656323986.db2.gz HWVDOYYKWMSYLU-MXWKQRLJSA-N 2 0 261.391 -0.276 20 0 CBADRP C[N@H+](C[C@H](O)CN1CCOCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322960 656324435 /nfs/dbraw/zinc/32/44/35/656324435.db2.gz LCKCQSVGBNHBEH-XQQFMLRXSA-N 2 0 257.378 -0.651 20 0 CBADRP CN(Cc1ccc(N2CC[NH2+]CC2)o1)C[C@H](O)C[NH3+] ZINC000904358547 656325155 /nfs/dbraw/zinc/32/51/55/656325155.db2.gz PARCPWQANBTPGR-LLVKDONJSA-N 2 0 268.361 -0.559 20 0 CBADRP [NH3+]C[C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)o2)CCO1 ZINC000904332888 656324979 /nfs/dbraw/zinc/32/49/79/656324979.db2.gz SPLQHKRDARZQMG-CYBMUJFWSA-N 2 0 280.372 -0.151 20 0 CBADRP Nc1nsc(N2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)n1 ZINC000904328066 656325333 /nfs/dbraw/zinc/32/53/33/656325333.db2.gz LXMWJOONZBMHDH-DTORHVGOSA-N 2 0 268.390 -0.020 20 0 CBADRP [NH3+]C[C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)o2)CCO1 ZINC000904332889 656325547 /nfs/dbraw/zinc/32/55/47/656325547.db2.gz SPLQHKRDARZQMG-ZDUSSCGKSA-N 2 0 280.372 -0.151 20 0 CBADRP c1cc(N2CC[NH2+]CC2)oc1CNC[C@@H]1C[NH2+]CCO1 ZINC000904371775 656325765 /nfs/dbraw/zinc/32/57/65/656325765.db2.gz SUZJSPDLYNJGCM-ZDUSSCGKSA-N 2 0 280.372 -0.233 20 0 CBADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCN1S(C)(=O)=O ZINC000904380019 656325805 /nfs/dbraw/zinc/32/58/05/656325805.db2.gz ZQKDIIKSHPYSRD-MXWKQRLJSA-N 2 0 261.391 -0.311 20 0 CBADRP C[C@@]12C[NH+](C[C@H]3C[C@@H]([NH3+])C3)C[C@@]1(C)C(=O)NC2=O ZINC000904385424 656325931 /nfs/dbraw/zinc/32/59/31/656325931.db2.gz YNGHIHXSKUSAIR-FQPOAREZSA-N 2 0 251.330 -0.292 20 0 CBADRP CN1C(=O)[C@H]2C[N@H+](C[C@@]3(C)CCC[NH2+]C3)C[C@H]2C1=O ZINC000904384547 656325945 /nfs/dbraw/zinc/32/59/45/656325945.db2.gz MHTLKIKCFPVUFW-WDMOLILDSA-N 2 0 265.357 -0.077 20 0 CBADRP C[C@@]1(C[NH2+]CC[C@H]2CNCCS2(=O)=O)CCC[NH2+]C1 ZINC000904388411 656326266 /nfs/dbraw/zinc/32/62/66/656326266.db2.gz IZISYDOQXLYRLT-QWHCGFSZSA-N 2 0 289.445 -0.258 20 0 CBADRP Cc1c(C[C@H](C[NH3+])CN2CCC[C@]([NH3+])(CO)C2)cnn1C ZINC000904407182 656326524 /nfs/dbraw/zinc/32/65/24/656326524.db2.gz PJXFQLXCIPCDNW-UKRRQHHQSA-N 2 0 295.431 -0.368 20 0 CBADRP C[C@]1(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)CC[NH2+]C1 ZINC000904428609 656326569 /nfs/dbraw/zinc/32/65/69/656326569.db2.gz NANRDNKZZCZAAI-MNOVXSKESA-N 2 0 261.391 -0.404 20 0 CBADRP C[C@@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@H]1C[NH3+] ZINC000904410968 656326616 /nfs/dbraw/zinc/32/66/16/656326616.db2.gz ICHZMQGPEFZYDV-MNOVXSKESA-N 2 0 280.372 -0.499 20 0 CBADRP Cc1c(C[C@@H](C[NH3+])CN2CCC[C@@]([NH3+])(CO)C2)cnn1C ZINC000904407183 656326953 /nfs/dbraw/zinc/32/69/53/656326953.db2.gz PJXFQLXCIPCDNW-ZFWWWQNUSA-N 2 0 295.431 -0.368 20 0 CBADRP CC[NH+]1CCC(NC(=O)CON=C(N)CN(C)C)CC1 ZINC000904438204 656327669 /nfs/dbraw/zinc/32/76/69/656327669.db2.gz SSEPMONQEMRUDH-UHFFFAOYSA-N 2 0 285.392 -0.353 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000904959596 656330432 /nfs/dbraw/zinc/33/04/32/656330432.db2.gz RQRXNJSOUPHZKA-NWJSVONSSA-N 2 0 294.399 -0.655 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000904955417 656330459 /nfs/dbraw/zinc/33/04/59/656330459.db2.gz CCCUZPJZACCGBN-SLEUVZQESA-N 2 0 294.399 -0.783 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000904960878 656330711 /nfs/dbraw/zinc/33/07/11/656330711.db2.gz MCBRAJOZAXKPEC-SMDDNHRTSA-N 2 0 282.388 -0.796 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000904960912 656330915 /nfs/dbraw/zinc/33/09/15/656330915.db2.gz MKWDPKFLFPCBSU-SWLSCSKDSA-N 2 0 296.415 -0.536 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000904962628 656331478 /nfs/dbraw/zinc/33/14/78/656331478.db2.gz YKKDGJIDPCYYJN-UHFFFAOYSA-N 2 0 286.420 -0.160 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000905010175 656332645 /nfs/dbraw/zinc/33/26/45/656332645.db2.gz UFQDNGJLAQMFAM-UHFFFAOYSA-N 2 0 286.420 -0.160 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000905011445 656333621 /nfs/dbraw/zinc/33/36/21/656333621.db2.gz IWFRUBSCRZBTBQ-HNNXBMFYSA-N 2 0 296.415 -0.249 20 0 CBADRP C[NH+](C)CCn1cc(CN2CCC[C@H]([NH3+])C2)nn1 ZINC000905061093 656336430 /nfs/dbraw/zinc/33/64/30/656336430.db2.gz CIEBEPPADRFACH-NSHDSACASA-N 2 0 252.366 -0.237 20 0 CBADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905108943 656339064 /nfs/dbraw/zinc/33/90/64/656339064.db2.gz AINKDISGBRAHAM-UPJWGTAASA-N 2 0 260.378 -0.181 20 0 CBADRP C[NH+](C)CCOCC[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905202621 656345281 /nfs/dbraw/zinc/34/52/81/656345281.db2.gz SJKKJFOXDYOPCB-GFCCVEGCSA-N 2 0 260.378 -0.180 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905330617 656349250 /nfs/dbraw/zinc/34/92/50/656349250.db2.gz VJAHRNSLVIREBT-LBPRGKRZSA-N 2 0 275.418 0.000 20 0 CBADRP C[NH2+][C@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905328900 656349261 /nfs/dbraw/zinc/34/92/61/656349261.db2.gz DDLIZWIFIJKSFG-NSHDSACASA-N 2 0 261.391 -0.391 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@H]1CCC[NH2+]1 ZINC000905331038 656349527 /nfs/dbraw/zinc/34/95/27/656349527.db2.gz YCEWPOUGYJCIQA-LLVKDONJSA-N 2 0 261.391 -0.343 20 0 CBADRP CN([C@H]1CC[NH2+]C1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905330692 656349590 /nfs/dbraw/zinc/34/95/90/656349590.db2.gz WGARSQDRMQMOTF-NSHDSACASA-N 2 0 261.391 -0.391 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905344648 656351301 /nfs/dbraw/zinc/35/13/01/656351301.db2.gz QDPYWZARNDBRCZ-PWSUYJOCSA-N 2 0 275.418 -0.097 20 0 CBADRP C[NH2+]C[C@@H](O)CNC[C@@H](O)CC1(O)CCCCC1 ZINC000905352478 656352467 /nfs/dbraw/zinc/35/24/67/656352467.db2.gz DHXLSGKMHBWSSJ-NWDGAFQWSA-N 2 0 260.378 -0.398 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000905450190 656357787 /nfs/dbraw/zinc/35/77/87/656357787.db2.gz GUYHDAFJWHYCGZ-UONOGXRCSA-N 2 0 283.416 -0.104 20 0 CBADRP COC(=O)/C(C)=C/C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000905531521 656360565 /nfs/dbraw/zinc/36/05/65/656360565.db2.gz BGBLBISXTMJVLI-VFJIKVCNSA-N 2 0 285.388 -0.696 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000905698004 656365960 /nfs/dbraw/zinc/36/59/60/656365960.db2.gz DIYSKMXMEJPFIR-OLZOCXBDSA-N 2 0 271.405 -0.248 20 0 CBADRP C[C@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)[NH+](C)C ZINC000906073671 656378104 /nfs/dbraw/zinc/37/81/04/656378104.db2.gz RIYYHTCWPAMRCE-LLVKDONJSA-N 2 0 256.394 -0.454 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NCC2CC[NH+](C)CC2)C1 ZINC000906494822 656389393 /nfs/dbraw/zinc/38/93/93/656389393.db2.gz LHECTLPICBTWRD-UHFFFAOYSA-N 2 0 282.432 -0.062 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NCCCC[NH+](C)C)C1 ZINC000906675164 656396788 /nfs/dbraw/zinc/39/67/88/656396788.db2.gz RYAWMBWCFNTTEQ-UHFFFAOYSA-N 2 0 270.421 -0.062 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000996517093 656417683 /nfs/dbraw/zinc/41/76/83/656417683.db2.gz DEFOMPVJKWXMER-VXGBXAGGSA-N 2 0 296.415 -0.360 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000996614400 656446780 /nfs/dbraw/zinc/44/67/80/656446780.db2.gz NCBVPEOCHISPKC-WDEREUQCSA-N 2 0 282.388 -0.750 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CCO)CC2)CC[N@@H+]1C ZINC000996602494 656447029 /nfs/dbraw/zinc/44/70/29/656447029.db2.gz JESGNHXTQFTILB-DGCLKSJQSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[C@H](C(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1)[NH+](C)C ZINC000996712644 656454431 /nfs/dbraw/zinc/45/44/31/656454431.db2.gz RDQVUSAPUZKHSU-CHWSQXEVSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997012835 656463826 /nfs/dbraw/zinc/46/38/26/656463826.db2.gz YJSLSBPKFGUCLA-ZYHUDNBSSA-N 2 0 282.388 -0.750 20 0 CBADRP C[NH+]1CCC(CC(=O)N2CCC([NH2+]CC(N)=O)CC2)CC1 ZINC000997057670 656465241 /nfs/dbraw/zinc/46/52/41/656465241.db2.gz MCWHLETVGYXNHW-UHFFFAOYSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H]([NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)C(N)=O ZINC000997186956 656469515 /nfs/dbraw/zinc/46/95/15/656469515.db2.gz LIHJHOZNAKZHJO-NSHDSACASA-N 2 0 294.399 -0.463 20 0 CBADRP NC(=O)C[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997190595 656469608 /nfs/dbraw/zinc/46/96/08/656469608.db2.gz AZNATNFIQWETSW-UHFFFAOYSA-N 2 0 280.372 -0.852 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000997301022 656472540 /nfs/dbraw/zinc/47/25/40/656472540.db2.gz ZSKYULNRRMQZMR-SNVBAGLBSA-N 2 0 268.361 -0.996 20 0 CBADRP NC(=O)C[NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000997364910 656474278 /nfs/dbraw/zinc/47/42/78/656474278.db2.gz OSAVUNRDTFRYKU-UHFFFAOYSA-N 2 0 296.415 -0.072 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2cnc[nH]2)[C@H](C)C1 ZINC000907515312 656519044 /nfs/dbraw/zinc/51/90/44/656519044.db2.gz AUDMVWDPOGFMOQ-MNOVXSKESA-N 2 0 266.345 -0.134 20 0 CBADRP C[NH+]1CC2(C1)CCN(C(=O)C1C[NH+]([C@@H]3CCOC3)C1)C2 ZINC000907764402 656572509 /nfs/dbraw/zinc/57/25/09/656572509.db2.gz SACFHNJBVWYXLQ-CYBMUJFWSA-N 2 0 279.384 -0.129 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000998734590 656576297 /nfs/dbraw/zinc/57/62/97/656576297.db2.gz XPIIYTGMGFJYDE-VXGBXAGGSA-N 2 0 255.362 -0.347 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC000998764730 656581582 /nfs/dbraw/zinc/58/15/82/656581582.db2.gz UJXBLHVEPWYKKX-BPCQOVAHSA-N 2 0 296.415 -0.077 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C1 ZINC000907805152 656582167 /nfs/dbraw/zinc/58/21/67/656582167.db2.gz OSMGEDUEWXFXNU-BETUJISGSA-N 2 0 280.416 -0.500 20 0 CBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@H]([NH2+]CCO)C1 ZINC000999175039 656613754 /nfs/dbraw/zinc/61/37/54/656613754.db2.gz SMXUNHSUKRQLHE-UONOGXRCSA-N 2 0 281.400 -0.099 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000999301884 656621654 /nfs/dbraw/zinc/62/16/54/656621654.db2.gz DMYZFHSLBGZDTH-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC000999350076 656625059 /nfs/dbraw/zinc/62/50/59/656625059.db2.gz WQMRBMZRQSBLJP-RYUDHWBXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[N@H+](CC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC000999362659 656625333 /nfs/dbraw/zinc/62/53/33/656625333.db2.gz CMCAJNXFYIGMAK-NSHDSACASA-N 2 0 282.388 -0.463 20 0 CBADRP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1)C1CC1 ZINC000999372811 656626006 /nfs/dbraw/zinc/62/60/06/656626006.db2.gz PEHVALVXGDLJEN-AAEUAGOBSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC000999350074 656626531 /nfs/dbraw/zinc/62/65/31/656626531.db2.gz WQMRBMZRQSBLJP-NEPJUHHUSA-N 2 0 296.415 -0.075 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000999513262 656631698 /nfs/dbraw/zinc/63/16/98/656631698.db2.gz RSJROXANOJKGGD-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[C@@H]([NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC000999834768 656654984 /nfs/dbraw/zinc/65/49/84/656654984.db2.gz VXBZSUDQBLUMEK-WXRRBKDZSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000908194716 656663722 /nfs/dbraw/zinc/66/37/22/656663722.db2.gz FGBXEYJDHQLTIA-NSHDSACASA-N 2 0 256.394 -0.454 20 0 CBADRP C[NH+](C)CCn1nccc1C(=O)N[C@H](CO)C[NH+](C)C ZINC000908201812 656665173 /nfs/dbraw/zinc/66/51/73/656665173.db2.gz RYEVLNDKLJVAEY-NSHDSACASA-N 2 0 283.376 -0.903 20 0 CBADRP C[NH+](C)C[C@H](CO)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000908201809 656665894 /nfs/dbraw/zinc/66/58/94/656665894.db2.gz RWRUREDVLREUMT-GFCCVEGCSA-N 2 0 285.388 -0.864 20 0 CBADRP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000908200270 656666316 /nfs/dbraw/zinc/66/63/16/656666316.db2.gz IDPLPMYGCNGFJO-MNOVXSKESA-N 2 0 257.378 -0.102 20 0 CBADRP O=C(N[C@@H](CO)C[NH+]1CCCC1)C12CC[NH+](CC1)C2 ZINC000908202305 656667362 /nfs/dbraw/zinc/66/73/62/656667362.db2.gz BJKMPCLXWIJVBA-GFCCVEGCSA-N 2 0 267.373 -0.345 20 0 CBADRP C[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001000081261 656687022 /nfs/dbraw/zinc/68/70/22/656687022.db2.gz LNQVEHCLXOTHFB-LBPRGKRZSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001000192521 656699371 /nfs/dbraw/zinc/69/93/71/656699371.db2.gz MQTAMDZHEFJYFT-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001000196801 656700462 /nfs/dbraw/zinc/70/04/62/656700462.db2.gz GRUJKRSSJFVVLA-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)C[NH+](C)C ZINC000908345348 656707728 /nfs/dbraw/zinc/70/77/28/656707728.db2.gz DFHLJXXBIDUFTL-GFCCVEGCSA-N 2 0 270.421 -0.206 20 0 CBADRP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000908346337 656708909 /nfs/dbraw/zinc/70/89/09/656708909.db2.gz GBSZXQQCJFJCMP-FMSGJZPZSA-N 2 0 267.373 -0.396 20 0 CBADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000908346425 656710527 /nfs/dbraw/zinc/71/05/27/656710527.db2.gz GYCMTEIAERWNLZ-KCQAQPDRSA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000908414691 656721925 /nfs/dbraw/zinc/72/19/25/656721925.db2.gz KRGDNLLYCRPTTG-HKUMRIAESA-N 2 0 269.389 -0.008 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001000703010 656760007 /nfs/dbraw/zinc/76/00/07/656760007.db2.gz SVAGAEUNBZCGQF-VXGBXAGGSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001001262121 656805596 /nfs/dbraw/zinc/80/55/96/656805596.db2.gz BMIFDBSHAIUPON-DGCLKSJQSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001002119505 656826600 /nfs/dbraw/zinc/82/66/00/656826600.db2.gz ARWBISMIIFQEON-YPMHNXCESA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001002119500 656827218 /nfs/dbraw/zinc/82/72/18/656827218.db2.gz ARWBISMIIFQEON-WCQYABFASA-N 2 0 296.415 -0.360 20 0 CBADRP O=C(NC1CC[NH+](CCO)CC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001002875596 656842682 /nfs/dbraw/zinc/84/26/82/656842682.db2.gz NTZYPJUSTHYFLD-KBPBESRZSA-N 2 0 297.399 -0.578 20 0 CBADRP CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004150325 656881390 /nfs/dbraw/zinc/88/13/90/656881390.db2.gz RAXFJIZNDWSXAK-RYUDHWBXSA-N 2 0 296.415 -0.347 20 0 CBADRP CCN1CC[C@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000910731186 656887639 /nfs/dbraw/zinc/88/76/39/656887639.db2.gz UTQHVIOMWRSOHI-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000910959966 656912461 /nfs/dbraw/zinc/91/24/61/656912461.db2.gz UBRJNSDHUJLTOL-LLVKDONJSA-N 2 0 282.388 -0.608 20 0 CBADRP C[NH2+]CCN(C(=O)C(=O)NC1CC[NH+](C)CC1)C(C)C ZINC000910960525 656912486 /nfs/dbraw/zinc/91/24/86/656912486.db2.gz VUDJUSYVJDXSDX-UHFFFAOYSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000910963150 656913461 /nfs/dbraw/zinc/91/34/61/656913461.db2.gz HWRINILHPBPIHB-NSHDSACASA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000910961016 656913947 /nfs/dbraw/zinc/91/39/47/656913947.db2.gz YQDBRLKNNCNIEM-GHMZBOCLSA-N 2 0 282.388 -0.750 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000910964120 656914353 /nfs/dbraw/zinc/91/43/53/656914353.db2.gz SPZQVJCINYFLAW-GFCCVEGCSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000910980125 656920526 /nfs/dbraw/zinc/92/05/26/656920526.db2.gz YRXNJWTUUGESKV-IJLUTSLNSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)C[C@H]1[NH3+] ZINC000911006123 656927884 /nfs/dbraw/zinc/92/78/84/656927884.db2.gz CVAJFGNRAJLWPB-WISYIIOYSA-N 2 0 282.388 -0.609 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000911015925 656931450 /nfs/dbraw/zinc/93/14/50/656931450.db2.gz SXAIAIKGMGTBRQ-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911030107 656935542 /nfs/dbraw/zinc/93/55/42/656935542.db2.gz QJKPJTBZGVUCNZ-RYUDHWBXSA-N 2 0 296.415 -0.170 20 0 CBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000911072356 656939132 /nfs/dbraw/zinc/93/91/32/656939132.db2.gz JOWCRMSFDBCMEV-RSLMWUCJSA-N 2 0 292.383 -0.652 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911072358 656939418 /nfs/dbraw/zinc/93/94/18/656939418.db2.gz JOWCRMSFDBCMEV-XKAARJIMSA-N 2 0 292.383 -0.652 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000911073492 656940503 /nfs/dbraw/zinc/94/05/03/656940503.db2.gz SSZQFRYQJDZCSF-ZYHUDNBSSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911073481 656940582 /nfs/dbraw/zinc/94/05/82/656940582.db2.gz SKSXHHRNSSMCNL-WISYIIOYSA-N 2 0 282.388 -0.548 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000911073313 656940607 /nfs/dbraw/zinc/94/06/07/656940607.db2.gz RNNOYMOMFLKOSW-GRYCIOLGSA-N 2 0 284.404 -0.504 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000911073048 656940742 /nfs/dbraw/zinc/94/07/42/656940742.db2.gz PTEAJJVGCWFMRK-JMSVASOKSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911073525 656941214 /nfs/dbraw/zinc/94/12/14/656941214.db2.gz TYFBGAOFNMZIMA-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911073524 656940973 /nfs/dbraw/zinc/94/09/73/656940973.db2.gz TYFBGAOFNMZIMA-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000911073801 656941152 /nfs/dbraw/zinc/94/11/52/656941152.db2.gz WHSKJDKYBDAZQI-QWRGUYRKSA-N 2 0 280.372 -0.711 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000911074088 656941287 /nfs/dbraw/zinc/94/12/87/656941287.db2.gz YYRWWPJJGJXJIJ-NEPJUHHUSA-N 2 0 294.399 -0.463 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911077392 656942627 /nfs/dbraw/zinc/94/26/27/656942627.db2.gz HYIOUKVDAKHIEL-LPWJVIDDSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CCC1 ZINC000911116796 656952649 /nfs/dbraw/zinc/95/26/49/656952649.db2.gz VAEZAFGQVDOGKP-NEPJUHHUSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911144703 656962919 /nfs/dbraw/zinc/96/29/19/656962919.db2.gz CXYDVNBEOXTAGB-GMXVVIOVSA-N 2 0 294.399 -0.465 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])CC2)C[N@@H+]1C1CC1 ZINC000911148031 656963421 /nfs/dbraw/zinc/96/34/21/656963421.db2.gz UMOLXSOHIPOOIP-VHSXEESVSA-N 2 0 280.372 -0.665 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[N@@H+]1C1CC1 ZINC000911148334 656964711 /nfs/dbraw/zinc/96/47/11/656964711.db2.gz XCNQRUSZVAXGCK-FIQHERPVSA-N 2 0 294.399 -0.419 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911187199 656975960 /nfs/dbraw/zinc/97/59/60/656975960.db2.gz NFNBVGSLWKTWIC-GRYCIOLGSA-N 2 0 284.404 -0.443 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911187299 656976419 /nfs/dbraw/zinc/97/64/19/656976419.db2.gz OBTRHMYIUIEMAD-AGIUHOORSA-N 2 0 298.431 -0.195 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCO)C1 ZINC001006926871 656979448 /nfs/dbraw/zinc/97/94/48/656979448.db2.gz OAGIEVOGQVOWBK-NWDGAFQWSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)[N@H+](C)C1CC1 ZINC000911207458 656984475 /nfs/dbraw/zinc/98/44/75/656984475.db2.gz UTWVGMFKAQBAPQ-CKYFFXLPSA-N 2 0 282.388 -0.691 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911244010 656994491 /nfs/dbraw/zinc/99/44/91/656994491.db2.gz FBJIMEKAWQRPLC-NSHDSACASA-N 2 0 284.404 -0.441 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000911245318 656997051 /nfs/dbraw/zinc/99/70/51/656997051.db2.gz ZGNGSUXBJBIOCO-STQMWFEESA-N 2 0 298.431 -0.112 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000911267816 657002717 /nfs/dbraw/zinc/00/27/17/657002717.db2.gz ABCKFZXLVQOFQA-FDYHWXHSSA-N 2 0 294.399 -0.417 20 0 CBADRP CC(C)[NH+](CCNC(=O)C(=O)NCC1([NH3+])CC1)C(C)C ZINC000911267854 657002859 /nfs/dbraw/zinc/00/28/59/657002859.db2.gz NHNXUVSBURKVLN-UHFFFAOYSA-N 2 0 284.404 -0.171 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)C[C@]2(C)C1 ZINC000911268659 657002952 /nfs/dbraw/zinc/00/29/52/657002952.db2.gz ZAHSAPRNZBJROC-XUJVJEKNSA-N 2 0 294.399 -0.735 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000911268716 657003008 /nfs/dbraw/zinc/00/30/08/657003008.db2.gz FGFZNSHDQWCMAN-FDYHWXHSSA-N 2 0 294.399 -0.547 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000911270057 657003880 /nfs/dbraw/zinc/00/38/80/657003880.db2.gz RHXGJTLHZQTEBS-AVGNSLFASA-N 2 0 294.399 -0.321 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911270253 657005320 /nfs/dbraw/zinc/00/53/20/657005320.db2.gz KCVXAYMHOFMCGF-SMDDNHRTSA-N 2 0 282.388 -0.878 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000911281413 657008985 /nfs/dbraw/zinc/00/89/85/657008985.db2.gz OIYHXOVPIJAIPY-UHFFFAOYSA-N 2 0 279.344 -0.901 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911283043 657010149 /nfs/dbraw/zinc/01/01/49/657010149.db2.gz VCBPBFKNAWEIBF-UHFFFAOYSA-N 2 0 270.377 -0.830 20 0 CBADRP CC1([NH+]2CCC2)CCC(NC(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000911287276 657010688 /nfs/dbraw/zinc/01/06/88/657010688.db2.gz DHYNFDJLRBGZDL-UHFFFAOYSA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000911292653 657012504 /nfs/dbraw/zinc/01/25/04/657012504.db2.gz ACQSDIKGVOLQCO-SNVBAGLBSA-N 2 0 272.393 -0.504 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NCC(C)(C)[NH3+])C[C@]2(C)C1 ZINC000911295633 657013426 /nfs/dbraw/zinc/01/34/26/657013426.db2.gz HXXKBSAGICVQJA-YGRLFVJLSA-N 2 0 282.388 -0.750 20 0 CBADRP CC(C)C[C@H]1CN(C)CCN1C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000911296267 657013455 /nfs/dbraw/zinc/01/34/55/657013455.db2.gz KYTRTXUTRYZQTC-RYUDHWBXSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911296705 657014020 /nfs/dbraw/zinc/01/40/20/657014020.db2.gz ZUOSUPCKPXDNNP-NSHDSACASA-N 2 0 284.404 -0.455 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000911298769 657014249 /nfs/dbraw/zinc/01/42/49/657014249.db2.gz WKZMQEPTZJLGKW-BZUNDVKYSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911298423 657014553 /nfs/dbraw/zinc/01/45/53/657014553.db2.gz TXIMLQJGUZWVAM-COPLHBTASA-N 2 0 282.388 -0.750 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)C[C@H]1[NH3+] ZINC000911317437 657019118 /nfs/dbraw/zinc/01/91/18/657019118.db2.gz UWAVWJVLMCFBKL-IKWCTNDRSA-N 2 0 296.415 -0.219 20 0 CBADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000911318727 657019522 /nfs/dbraw/zinc/01/95/22/657019522.db2.gz YSAODTLBXFIDML-HIFPTAJRSA-N 2 0 296.415 -0.075 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000911324527 657020275 /nfs/dbraw/zinc/02/02/75/657020275.db2.gz DZOXABUYEKXTIG-RYUDHWBXSA-N 2 0 294.399 -0.273 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911336755 657023129 /nfs/dbraw/zinc/02/31/29/657023129.db2.gz MTJMPXGYUHQMKD-IJLUTSLNSA-N 2 0 282.388 -0.689 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000911337339 657023162 /nfs/dbraw/zinc/02/31/62/657023162.db2.gz RCBILZITSGNKSP-FVCCEPFGSA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911367498 657027966 /nfs/dbraw/zinc/02/79/66/657027966.db2.gz PXLQGZLGSBSWHP-VXGBXAGGSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000911365169 657028014 /nfs/dbraw/zinc/02/80/14/657028014.db2.gz CANPTHFIWRRIOM-IJLUTSLNSA-N 2 0 296.415 -0.301 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911379245 657032148 /nfs/dbraw/zinc/03/21/48/657032148.db2.gz BKBDHIQMKPFRJW-OLZOCXBDSA-N 2 0 298.431 -0.242 20 0 CBADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000911403775 657036157 /nfs/dbraw/zinc/03/61/57/657036157.db2.gz TZQRVEWAPBREJW-SNVBAGLBSA-N 2 0 291.355 -0.677 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000911502375 657057490 /nfs/dbraw/zinc/05/74/90/657057490.db2.gz GDTCDPKMCJOIBK-VXGBXAGGSA-N 2 0 296.415 -0.170 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911504535 657058524 /nfs/dbraw/zinc/05/85/24/657058524.db2.gz KSTJLOUGBBJJGV-UHFFFAOYSA-N 2 0 282.388 -0.606 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000911504511 657058595 /nfs/dbraw/zinc/05/85/95/657058595.db2.gz ZNXMAXKQNXRVKY-UHFFFAOYSA-N 2 0 294.399 -0.319 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911504533 657058703 /nfs/dbraw/zinc/05/87/03/657058703.db2.gz KSMOKGFXHMVBML-JTQLQIEISA-N 2 0 268.361 -0.806 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911505584 657059310 /nfs/dbraw/zinc/05/93/10/657059310.db2.gz DYTNKWKPMYIYDX-UHFFFAOYSA-N 2 0 284.404 -0.360 20 0 CBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911506283 657059623 /nfs/dbraw/zinc/05/96/23/657059623.db2.gz YNKQKKYDHNCACY-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911506399 657060609 /nfs/dbraw/zinc/06/06/09/657060609.db2.gz MXZNEMAQGXEGNN-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911528546 657067264 /nfs/dbraw/zinc/06/72/64/657067264.db2.gz PTDKFHIPXHUWCR-LBPRGKRZSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911527681 657067330 /nfs/dbraw/zinc/06/73/30/657067330.db2.gz JQBPMMZIGRNBLI-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911527636 657067548 /nfs/dbraw/zinc/06/75/48/657067548.db2.gz JAPMLHOFCCXDSC-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911528572 657067691 /nfs/dbraw/zinc/06/76/91/657067691.db2.gz QDJXOYOFKDSYFA-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911529675 657068700 /nfs/dbraw/zinc/06/87/00/657068700.db2.gz FNRVJHDQGBVXQH-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911537542 657071375 /nfs/dbraw/zinc/07/13/75/657071375.db2.gz IONRERWAQIOXBV-YNEHKIRRSA-N 2 0 296.415 -0.206 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000911544864 657074441 /nfs/dbraw/zinc/07/44/41/657074441.db2.gz GHWPKNLLXGOYHB-FRRDWIJNSA-N 2 0 294.399 -0.450 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911563408 657079432 /nfs/dbraw/zinc/07/94/32/657079432.db2.gz MDARXYJDYWWJAI-HAQNSBGRSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC000911633995 657090854 /nfs/dbraw/zinc/09/08/54/657090854.db2.gz LEAVJQPFXLAEQT-JSGCOSHPSA-N 2 0 269.389 -0.051 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC000911632922 657090994 /nfs/dbraw/zinc/09/09/94/657090994.db2.gz DOLASXMUVVHKOA-QWHCGFSZSA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@]1(C(=O)NCC2([NH3+])CCCCC2)C[C@H](O)C[NH2+]1 ZINC000911647196 657094601 /nfs/dbraw/zinc/09/46/01/657094601.db2.gz ULBDPPALBLZKNY-CMPLNLGQSA-N 2 0 255.362 -0.123 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)CCNC(=O)[C@H]([NH3+])C(C)C)C1 ZINC000911659558 657099026 /nfs/dbraw/zinc/09/90/26/657099026.db2.gz BZZSUDNPKKIHNS-ZYHUDNBSSA-N 2 0 270.377 -0.704 20 0 CBADRP [NH3+]CC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC1 ZINC000911672094 657100193 /nfs/dbraw/zinc/10/01/93/657100193.db2.gz AFIWAEBPPDVTMX-OCCSQVGLSA-N 2 0 267.373 -0.190 20 0 CBADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]CCN1C ZINC000911667688 657100308 /nfs/dbraw/zinc/10/03/08/657100308.db2.gz QMGUGEDWISWNGF-STQMWFEESA-N 2 0 292.383 -0.285 20 0 CBADRP C[NH2+]CCCNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC000911677035 657101661 /nfs/dbraw/zinc/10/16/61/657101661.db2.gz KHGVVUSZNFVWBS-UHFFFAOYSA-N 2 0 254.334 -0.389 20 0 CBADRP CC[NH2+]CCCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911687932 657103326 /nfs/dbraw/zinc/10/33/26/657103326.db2.gz KWFIWWQTHWXXOZ-YPMHNXCESA-N 2 0 255.362 -0.272 20 0 CBADRP C[C@H](Cc1c[nH]cn1)C(=O)NCCN1CC[NH2+]CC1 ZINC000911696162 657104699 /nfs/dbraw/zinc/10/46/99/657104699.db2.gz RPTFCVFMDUVTCB-LLVKDONJSA-N 2 0 265.361 -0.390 20 0 CBADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911702712 657109195 /nfs/dbraw/zinc/10/91/95/657109195.db2.gz PCBJRUBFYPRDKU-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911703698 657109454 /nfs/dbraw/zinc/10/94/54/657109454.db2.gz KBCNSOSHBYBPPM-WCQYABFASA-N 2 0 284.404 -0.408 20 0 CBADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911702711 657109857 /nfs/dbraw/zinc/10/98/57/657109857.db2.gz PCBJRUBFYPRDKU-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H](NC(=O)[C@H]1C[NH2+]CCN1C)[C@@H]1CCC[NH2+]C1 ZINC000911718072 657113849 /nfs/dbraw/zinc/11/38/49/657113849.db2.gz HUCYIFITJXYIQZ-QJPTWQEYSA-N 2 0 254.378 -0.606 20 0 CBADRP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000911720978 657115502 /nfs/dbraw/zinc/11/55/02/657115502.db2.gz STTGCWYAGFQANM-WGBDABJCSA-N 2 0 255.362 -0.396 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)C1 ZINC000911729403 657117247 /nfs/dbraw/zinc/11/72/47/657117247.db2.gz FYRMVMILRMXNPC-CABZTGNLSA-N 2 0 252.318 -0.556 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC000911725563 657117742 /nfs/dbraw/zinc/11/77/42/657117742.db2.gz WMKCEKCHRLRLDO-WDEREUQCSA-N 2 0 268.361 -0.996 20 0 CBADRP C[NH+]1CCC(OCC(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000911751835 657120765 /nfs/dbraw/zinc/12/07/65/657120765.db2.gz PXPABOQFCPGWRZ-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000911774429 657125154 /nfs/dbraw/zinc/12/51/54/657125154.db2.gz KXKMKNPKVRLWQJ-CHWSQXEVSA-N 2 0 268.405 -0.404 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)N(C)CCN2CC[NH2+]CC2)CCOCC1 ZINC000911774090 657125379 /nfs/dbraw/zinc/12/53/79/657125379.db2.gz HOFCLQIGISXWOF-CYBMUJFWSA-N 2 0 298.431 -0.506 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911774363 657125751 /nfs/dbraw/zinc/12/57/51/657125751.db2.gz KFFWXRJMRCKVOX-XQHKEYJVSA-N 2 0 266.389 -0.667 20 0 CBADRP CN(C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000911781827 657128109 /nfs/dbraw/zinc/12/81/09/657128109.db2.gz BOCVFHQKZAZZRC-GWCFXTLKSA-N 2 0 266.345 -0.295 20 0 CBADRP CN(C(=O)[C@]12C[NH2+]C[C@H]1CCOC2)[C@@H]1CC[NH2+]C1 ZINC000911788042 657129697 /nfs/dbraw/zinc/12/96/97/657129697.db2.gz MXFINFXYKXEAAN-WZRBSPASSA-N 2 0 253.346 -0.567 20 0 CBADRP CN(C(=O)[C@]12C[NH2+]C[C@H]1CCOC2)[C@H]1CC[NH2+]C1 ZINC000911788041 657130041 /nfs/dbraw/zinc/13/00/41/657130041.db2.gz MXFINFXYKXEAAN-MDZLAQPJSA-N 2 0 253.346 -0.567 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C[C@@H](C)[NH2+]1 ZINC000911793918 657131710 /nfs/dbraw/zinc/13/17/10/657131710.db2.gz DUISPJIUAFNCRY-IJLUTSLNSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C[C@H](C)[NH2+]1 ZINC000911799192 657133211 /nfs/dbraw/zinc/13/32/11/657133211.db2.gz FYQQBTBLDZIWBU-FMSGJZPZSA-N 2 0 267.373 -0.179 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000911802652 657134432 /nfs/dbraw/zinc/13/44/32/657134432.db2.gz KNSPKIMRXLZZQL-JQWIXIFHSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[NH2+]1 ZINC000911810101 657137013 /nfs/dbraw/zinc/13/70/13/657137013.db2.gz LXAWPQVVWKWIBE-LLVKDONJSA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[NH2+]1 ZINC000911810102 657137231 /nfs/dbraw/zinc/13/72/31/657137231.db2.gz LXAWPQVVWKWIBE-NSHDSACASA-N 2 0 255.362 -0.083 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000911819758 657140378 /nfs/dbraw/zinc/14/03/78/657140378.db2.gz PZNLRPRJHCPMIB-OLZOCXBDSA-N 2 0 268.405 -0.086 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000911826519 657141060 /nfs/dbraw/zinc/14/10/60/657141060.db2.gz OPYRWLIDRDUOOT-GXFFZTMASA-N 2 0 268.361 -0.016 20 0 CBADRP CC(C)[C@](C)(C[NH3+])NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911838103 657144391 /nfs/dbraw/zinc/14/43/91/657144391.db2.gz YZQNYEDWDSCHQV-QWHCGFSZSA-N 2 0 257.378 -0.019 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911852379 657146007 /nfs/dbraw/zinc/14/60/07/657146007.db2.gz PJCQYWSZCPEVCI-DYEKYZERSA-N 2 0 267.373 -0.156 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911850795 657146498 /nfs/dbraw/zinc/14/64/98/657146498.db2.gz BLIPIWSNABLCFQ-DYEKYZERSA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)C[C@H]([NH3+])CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911879324 657154729 /nfs/dbraw/zinc/15/47/29/657154729.db2.gz MJLJTCWGACBJLI-NWDGAFQWSA-N 2 0 256.394 -0.149 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911879510 657154755 /nfs/dbraw/zinc/15/47/55/657154755.db2.gz MYFLVNWKNFRLMJ-IJLUTSLNSA-N 2 0 254.378 -0.667 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)CCO1 ZINC000911881124 657155164 /nfs/dbraw/zinc/15/51/64/657155164.db2.gz CTQGRPRRVYQHFZ-GUWRXMSHSA-N 2 0 253.346 -0.456 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000911884521 657156251 /nfs/dbraw/zinc/15/62/51/657156251.db2.gz RFBZKUGXEXUMEA-WRWGMCAJSA-N 2 0 255.362 -0.193 20 0 CBADRP C/C=C/[C@H](O)C(=O)NCCN(C)CCC[NH+](C)C ZINC000912387613 657246356 /nfs/dbraw/zinc/24/63/56/657246356.db2.gz QEENIKDNJMNRJM-PZBABLGHSA-N 2 0 257.378 -0.077 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)c1cn(C)c(=O)n1C ZINC000912387488 657247719 /nfs/dbraw/zinc/24/77/19/657247719.db2.gz QCRKUDLNFLWYFN-UHFFFAOYSA-N 2 0 297.403 -0.663 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912904234 657357252 /nfs/dbraw/zinc/35/72/52/657357252.db2.gz SJWNFLBULVDAOI-YRGRVCCFSA-N 2 0 267.373 -0.252 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@H+](CCO)C2)cn1 ZINC001015827029 657566651 /nfs/dbraw/zinc/56/66/51/657566651.db2.gz LWDXHXWJWQHRMZ-CYBMUJFWSA-N 2 0 295.387 -0.759 20 0 CBADRP O=C(NC12CC[NH+](CC1)C2)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000913636860 657572472 /nfs/dbraw/zinc/57/24/72/657572472.db2.gz WYUUPRHLYRJTLE-GFCCVEGCSA-N 2 0 265.357 -0.329 20 0 CBADRP O=C(NC12CC[NH+](CC1)C2)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000913635891 657573109 /nfs/dbraw/zinc/57/31/09/657573109.db2.gz RSVJFFLPDILUPW-VXGBXAGGSA-N 2 0 265.357 -0.186 20 0 CBADRP C[NH+](C)CCNS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000913826386 657622408 /nfs/dbraw/zinc/62/24/08/657622408.db2.gz OQWMQPVSASEOIE-LBPRGKRZSA-N 2 0 275.418 -0.047 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCn3cncn3)C2)C1 ZINC001016249967 657669290 /nfs/dbraw/zinc/66/92/90/657669290.db2.gz LLUIPYPWAPPRDZ-OLZOCXBDSA-N 2 0 292.387 -0.580 20 0 CBADRP C[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001018264777 657799125 /nfs/dbraw/zinc/79/91/25/657799125.db2.gz AMQKVEWFMDKJSY-XDQVBPFNSA-N 2 0 281.400 -0.006 20 0 CBADRP C[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001018264775 657799282 /nfs/dbraw/zinc/79/92/82/657799282.db2.gz AMQKVEWFMDKJSY-RQJABVFESA-N 2 0 281.400 -0.006 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)NC[C@H]2C[NH+](C)CCN2C)CC[N@@H+]1C ZINC000917961971 657821529 /nfs/dbraw/zinc/82/15/29/657821529.db2.gz YBEHDKLMBWWOOL-AGIUHOORSA-N 2 0 283.420 -0.376 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001018629022 657828206 /nfs/dbraw/zinc/82/82/06/657828206.db2.gz XMOJCXGVLXEDRB-STQMWFEESA-N 2 0 294.399 -0.497 20 0 CBADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001019000904 657857650 /nfs/dbraw/zinc/85/76/50/657857650.db2.gz XBDVFRLONCOPFP-JQWIXIFHSA-N 2 0 270.377 -0.752 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1)[NH+](C)C ZINC001019034742 657858850 /nfs/dbraw/zinc/85/88/50/657858850.db2.gz NCVNEOCIKBBMTI-YNEHKIRRSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1)C(N)=O ZINC001019033384 657859415 /nfs/dbraw/zinc/85/94/15/657859415.db2.gz LVSQURNTYUWZGA-QJPTWQEYSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)C(N)=O ZINC001019088165 657862512 /nfs/dbraw/zinc/86/25/12/657862512.db2.gz LXVNPAAYCFEPLO-RYUDHWBXSA-N 2 0 294.399 -0.321 20 0 CBADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019169975 657868313 /nfs/dbraw/zinc/86/83/13/657868313.db2.gz SXJUKSJWEBWJKN-SBEAFCBVSA-N 2 0 295.383 -0.968 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001019274846 657878785 /nfs/dbraw/zinc/87/87/85/657878785.db2.gz RNZMBCSBMSWAPP-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001019397009 657892529 /nfs/dbraw/zinc/89/25/29/657892529.db2.gz DWJKELZPDUEUQN-UWVGGRQHSA-N 2 0 256.350 -0.998 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1)[NH+](C)C ZINC001019397182 657893078 /nfs/dbraw/zinc/89/30/78/657893078.db2.gz NCVNEOCIKBBMTI-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H](C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1)[NH+]1CCCCCC1 ZINC001019466227 657898152 /nfs/dbraw/zinc/89/81/52/657898152.db2.gz RWPWQQHEGLCXEP-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1)C(N)=O ZINC001019560406 657912292 /nfs/dbraw/zinc/91/22/92/657912292.db2.gz DTFDLKFCIZMHMN-STQMWFEESA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001019659671 657927807 /nfs/dbraw/zinc/92/78/07/657927807.db2.gz HQNCMHWALFYHFK-QWRGUYRKSA-N 2 0 280.372 -0.854 20 0 CBADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001019660825 657927855 /nfs/dbraw/zinc/92/78/55/657927855.db2.gz NQGTVGZWEHCYMD-RYUDHWBXSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001019774856 657937631 /nfs/dbraw/zinc/93/76/31/657937631.db2.gz LHZNRTFRYKGYSU-MNOVXSKESA-N 2 0 268.361 -0.854 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019775865 657939637 /nfs/dbraw/zinc/93/96/37/657939637.db2.gz KGORUHYYGBZZOO-NWDGAFQWSA-N 2 0 280.372 -0.839 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019780124 657940502 /nfs/dbraw/zinc/94/05/02/657940502.db2.gz KCZKASPVELXYSB-OLZOCXBDSA-N 2 0 285.388 -0.863 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001020028790 657988711 /nfs/dbraw/zinc/98/87/11/657988711.db2.gz JSFFAWPJEJOWQB-AVGNSLFASA-N 2 0 292.387 -0.391 20 0 CBADRP CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1=O ZINC001020028557 657991339 /nfs/dbraw/zinc/99/13/39/657991339.db2.gz CLDPZTYMWPRUDL-CYDGBPFRSA-N 2 0 294.399 -0.452 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001020143749 658016944 /nfs/dbraw/zinc/01/69/44/658016944.db2.gz CUIBSZQGWVKMAL-CYDGBPFRSA-N 2 0 296.415 -0.030 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020144072 658018330 /nfs/dbraw/zinc/01/83/30/658018330.db2.gz PNXZGEMKLJLBTK-SRVKXCTJSA-N 2 0 282.388 -0.419 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001020161738 658019056 /nfs/dbraw/zinc/01/90/56/658019056.db2.gz NGSLLWPSQCSRHJ-ZRJCITRHSA-N 2 0 281.400 -0.054 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001020150988 658020156 /nfs/dbraw/zinc/02/01/56/658020156.db2.gz GSIYGAMVCAMHEP-ZDEQEGDKSA-N 2 0 294.399 -0.417 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020301127 658035120 /nfs/dbraw/zinc/03/51/20/658035120.db2.gz PUNKHJOHIUTKOS-DCAQKATOSA-N 2 0 268.361 -0.807 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)C(N)=O ZINC001020463093 658053583 /nfs/dbraw/zinc/05/35/83/658053583.db2.gz VEYKLWJFEUETCN-IJLUTSLNSA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001020508878 658061430 /nfs/dbraw/zinc/06/14/30/658061430.db2.gz FQLXBXARMRKDLK-BJDJZHNGSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)CC[N@@H+]1C ZINC001020512357 658061869 /nfs/dbraw/zinc/06/18/69/658061869.db2.gz XRTHAQBJCCTUPP-CYDGBPFRSA-N 2 0 269.389 -0.054 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001020541676 658071893 /nfs/dbraw/zinc/07/18/93/658071893.db2.gz JNXLWPJBRQYHLE-AVGNSLFASA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001020589139 658075738 /nfs/dbraw/zinc/07/57/38/658075738.db2.gz XTMUOYFIAFKVPT-FDYHWXHSSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001020589138 658077315 /nfs/dbraw/zinc/07/73/15/658077315.db2.gz XTMUOYFIAFKVPT-CYDGBPFRSA-N 2 0 294.399 -0.547 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001020719585 658084136 /nfs/dbraw/zinc/08/41/36/658084136.db2.gz MNXUATOKEDRXLT-ZDEQEGDKSA-N 2 0 294.399 -0.275 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001020927673 658112983 /nfs/dbraw/zinc/11/29/83/658112983.db2.gz OBJMAIPRRJPRPR-CYDGBPFRSA-N 2 0 294.399 -0.547 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001020928444 658119616 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CBADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000923287713 658195415 /nfs/dbraw/zinc/19/54/15/658195415.db2.gz FIAJSASBTKMSQH-GHMZBOCLSA-N 2 0 268.361 -0.060 20 0 CBADRP CC(=O)N[C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923302573 658196911 /nfs/dbraw/zinc/19/69/11/658196911.db2.gz CPBMKXBIKWDZKV-CHWSQXEVSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[N@@H+](CC(=O)N(C)C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303571 658200522 /nfs/dbraw/zinc/20/05/22/658200522.db2.gz HJYDBQSJKOGHDV-LLVKDONJSA-N 2 0 255.362 -0.225 20 0 CBADRP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923306441 658203087 /nfs/dbraw/zinc/20/30/87/658203087.db2.gz MHJDJGGOYNPWAC-IJLUTSLNSA-N 2 0 267.373 -0.049 20 0 CBADRP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923306444 658204325 /nfs/dbraw/zinc/20/43/25/658204325.db2.gz MHJDJGGOYNPWAC-UTUOFQBUSA-N 2 0 267.373 -0.049 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C ZINC000923322373 658212313 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CN1CC(=O)N(CC[N@@H+]2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000923348246 658223123 /nfs/dbraw/zinc/22/31/23/658223123.db2.gz DPUUSOUMRPCLDO-NSHDSACASA-N 2 0 268.361 -0.059 20 0 CBADRP C[C@@H](NC(C[NH3+])C[NH3+])C(=O)N(C)c1ccccc1 ZINC000923353034 658226366 /nfs/dbraw/zinc/22/63/66/658226366.db2.gz RNXLHBHAJUHJBX-SNVBAGLBSA-N 2 0 250.346 -0.087 20 0 CBADRP [NH3+]CC(C[NH3+])NCC(=O)Nc1cc(F)cc(F)c1 ZINC000923353171 658226458 /nfs/dbraw/zinc/22/64/58/658226458.db2.gz UXSMHYZSNOKFMC-UHFFFAOYSA-N 2 0 258.272 -0.221 20 0 CBADRP C[C@@H]1CCC[C@@H](NC(=O)CNC(C[NH3+])C[NH3+])[C@@H]1C ZINC000923353668 658226850 /nfs/dbraw/zinc/22/68/50/658226850.db2.gz ZVSGDCCQUMQWIZ-CKYFFXLPSA-N 2 0 256.394 -0.197 20 0 CBADRP FC(F)[C@H]1C[NH2+]CCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923353682 658227207 /nfs/dbraw/zinc/22/72/07/658227207.db2.gz LDIDFMCPVLBXKD-VHSXEESVSA-N 2 0 261.316 -0.096 20 0 CBADRP C[N@H+](C[C@H](O)COC1CCOCC1)C1CC([NH3+])C1 ZINC000923360529 658227704 /nfs/dbraw/zinc/22/77/04/658227704.db2.gz CETHJSDXNWQWNM-MCIGGMRASA-N 2 0 258.362 -0.036 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN[C@H]1CC[NH2+]CC1(C)C ZINC000923371055 658243433 /nfs/dbraw/zinc/24/34/33/658243433.db2.gz UTIJOLBFRUALEO-OLZOCXBDSA-N 2 0 273.421 -0.097 20 0 CBADRP CC(=O)N[C@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923386231 658248379 /nfs/dbraw/zinc/24/83/79/658248379.db2.gz LQBZEYJJHHFNBD-NWDGAFQWSA-N 2 0 253.346 -0.425 20 0 CBADRP CC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923386228 658248491 /nfs/dbraw/zinc/24/84/91/658248491.db2.gz LQBZEYJJHHFNBD-NEPJUHHUSA-N 2 0 253.346 -0.425 20 0 CBADRP CCO[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C[NH3+] ZINC000923387381 658251452 /nfs/dbraw/zinc/25/14/52/658251452.db2.gz MSCMYZSHEBWTOR-JHJVBQTASA-N 3 0 269.389 -0.340 20 0 CBADRP CNC(=O)[C@@]1(COC)CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923395319 658253388 /nfs/dbraw/zinc/25/33/88/658253388.db2.gz RNGXKDLMYVWBRC-DOMZBBRYSA-N 2 0 297.399 -0.408 20 0 CBADRP NC(=O)c1cccc2c1CCN([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923397334 658254700 /nfs/dbraw/zinc/25/47/00/658254700.db2.gz LRZXYOSNKAALFB-BPNCWPANSA-N 2 0 275.352 -0.006 20 0 CBADRP C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C[C@H]1COCCO1 ZINC000923391748 658254781 /nfs/dbraw/zinc/25/47/81/658254781.db2.gz POYITMNTFPHIJB-NEPJUHHUSA-N 2 0 256.346 -0.288 20 0 CBADRP C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C[C@H]1COCCO1 ZINC000923391752 658255482 /nfs/dbraw/zinc/25/54/82/658255482.db2.gz POYITMNTFPHIJB-RYUDHWBXSA-N 2 0 256.346 -0.288 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN[C@@H]1CC[NH2+]C12CCC2 ZINC000923399384 658256033 /nfs/dbraw/zinc/25/60/33/658256033.db2.gz PCFXOSJJSJSYRX-CHWSQXEVSA-N 2 0 271.405 -0.200 20 0 CBADRP OCC[NH2+][C@@H]1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000923409408 658262551 /nfs/dbraw/zinc/26/25/51/658262551.db2.gz RJSDTHGNLVMGFH-CHWSQXEVSA-N 2 0 269.389 -0.446 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923427776 658273844 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O=S(=O)([C@@H]1CCC[NH2+]C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000923578385 658338845 /nfs/dbraw/zinc/33/88/45/658338845.db2.gz ZKZAPKARHNOTNQ-NWDGAFQWSA-N 2 0 273.402 -0.106 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000923596817 658345824 /nfs/dbraw/zinc/34/58/24/658345824.db2.gz AJNJXSGCKMBFCI-LLVKDONJSA-N 2 0 273.402 -0.152 20 0 CBADRP O=S(=O)(N[C@@H]1CC[N@H+](CC2CC2)C1)C1C[NH2+]C1 ZINC000923607966 658350054 /nfs/dbraw/zinc/35/00/54/658350054.db2.gz FWITYTBXKKXJRL-SNVBAGLBSA-N 2 0 259.375 -0.638 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923628065 658364394 /nfs/dbraw/zinc/36/43/94/658364394.db2.gz NYDRPENCFHHHMV-GZMMTYOYSA-N 2 0 259.375 -0.640 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923630363 658364495 /nfs/dbraw/zinc/36/44/95/658364495.db2.gz XCWIYMLFLSZXKK-CMPLNLGQSA-N 2 0 273.402 -0.296 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000923632141 658365779 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O=S(=O)(NC[C@@H]1Cc2ccccc2C[NH2+]1)C1C[NH2+]C1 ZINC000923669861 658391902 /nfs/dbraw/zinc/39/19/02/658391902.db2.gz FCZRXBJHBVZQFG-LBPRGKRZSA-N 2 0 281.381 -0.408 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)[C@H]1CCC[NH2+]C1)C2 ZINC000923672357 658392370 /nfs/dbraw/zinc/39/23/70/658392370.db2.gz VTAWCKIFRINRIW-SDDRHHMPSA-N 2 0 273.402 -0.391 20 0 CBADRP O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1C[NH2+]C1 ZINC000923669639 658393007 /nfs/dbraw/zinc/39/30/07/658393007.db2.gz ATRMDNQELDCCPG-JTQLQIEISA-N 2 0 289.401 -0.964 20 0 CBADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923691712 658399069 /nfs/dbraw/zinc/39/90/69/658399069.db2.gz IQGNWASYXPVRKN-QJPTWQEYSA-N 2 0 273.402 -0.248 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000923697991 658406033 /nfs/dbraw/zinc/40/60/33/658406033.db2.gz BFTXEEYEVOYGBW-GRYCIOLGSA-N 2 0 275.418 -0.015 20 0 CBADRP [NH3+]CC[C@@H]1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923700671 658408000 /nfs/dbraw/zinc/40/80/00/658408000.db2.gz WHVOEBZKLQVVSO-GHMZBOCLSA-N 2 0 261.391 -0.261 20 0 CBADRP CC(C)C[C@@H]1CN(C)CCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923749134 658442831 /nfs/dbraw/zinc/44/28/31/658442831.db2.gz WRXNXTJQPLFVCB-LLVKDONJSA-N 2 0 275.418 -0.050 20 0 CBADRP C[NH+](C)C[C@H]1NC(=O)N(C[C@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000924485677 658605987 /nfs/dbraw/zinc/60/59/87/658605987.db2.gz MIPWFKBODKXKSM-CMPLNLGQSA-N 2 0 280.372 -0.047 20 0 CBADRP C[NH+](C)C[C@@H]1NC(=O)N(C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1=O ZINC000924561215 658613663 /nfs/dbraw/zinc/61/36/63/658613663.db2.gz SDSJIIFKHBMYOO-TUAOUCFPSA-N 2 0 296.371 -0.668 20 0 CBADRP C[NH+]1CCN(CCC[NH2+][C@@H]2C(=O)NCC2(C)C)CC1 ZINC000924578151 658614497 /nfs/dbraw/zinc/61/44/97/658614497.db2.gz LPLYDYHMNRDFJP-GFCCVEGCSA-N 2 0 268.405 -0.262 20 0 CBADRP CC[N@H+](CCN1C(=O)N[C@H](C[NH+](C)C)C1=O)C1CC1 ZINC000924575547 658616006 /nfs/dbraw/zinc/61/60/06/658616006.db2.gz XHKBYLSZJLECPW-LLVKDONJSA-N 2 0 268.361 -0.047 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC000924980500 658691161 /nfs/dbraw/zinc/69/11/61/658691161.db2.gz GJTSSOZMVTUBFN-STQMWFEESA-N 2 0 269.389 -0.101 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000924996206 658707054 /nfs/dbraw/zinc/70/70/54/658707054.db2.gz QDLASXDUSHIMNJ-STQMWFEESA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)C[C@@H]1NC(=O)N(C[C@@H]2CCC[N@@H+]2C)C1=O ZINC000925288043 658815585 /nfs/dbraw/zinc/81/55/85/658815585.db2.gz BGUPODHBWRYEON-UWVGGRQHSA-N 2 0 254.334 -0.437 20 0 CBADRP CC[N@@H+]1CCC[C@@H](N2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000925300525 658820238 /nfs/dbraw/zinc/82/02/38/658820238.db2.gz WLVMMYHFEMBXSL-MNOVXSKESA-N 2 0 268.361 -0.047 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000925331427 658827340 /nfs/dbraw/zinc/82/73/40/658827340.db2.gz JNYFYEIYXHHBIL-NWDGAFQWSA-N 2 0 272.393 -0.308 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000961766828 658832995 /nfs/dbraw/zinc/83/29/95/658832995.db2.gz VUBBHGXDCQNENO-RMRHIDDWSA-N 2 0 281.400 -0.243 20 0 CBADRP CCO[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C)C[NH+](C)C ZINC000925431136 658851317 /nfs/dbraw/zinc/85/13/17/658851317.db2.gz COOHIFXVRCSFSA-NEPJUHHUSA-N 2 0 272.393 -0.044 20 0 CBADRP COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C)CC[N@H+](C)C1 ZINC000925432460 658851839 /nfs/dbraw/zinc/85/18/39/658851839.db2.gz SPLAIBYBIIFOQA-RYUDHWBXSA-N 2 0 298.387 -0.563 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925434442 658853504 /nfs/dbraw/zinc/85/35/04/658853504.db2.gz KLCFTAVVWJIVSR-LBPRGKRZSA-N 2 0 299.419 -0.648 20 0 CBADRP C[NH+]1CCC(N2CC[C@@H](N[C@H]3C[NH2+]CCOC3)C2)CC1 ZINC000925482155 658856634 /nfs/dbraw/zinc/85/66/34/658856634.db2.gz LWMQVUXTVAVUJW-KGLIPLIRSA-N 2 0 282.432 -0.267 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962554961 658857015 /nfs/dbraw/zinc/85/70/15/658857015.db2.gz KUEPHWDNILKASG-CIQGVGRVSA-N 2 0 267.373 -0.491 20 0 CBADRP CS(=O)(=O)CCOCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925577021 658859037 /nfs/dbraw/zinc/85/90/37/658859037.db2.gz ZSBBRRNVOILVHA-GHMZBOCLSA-N 2 0 276.402 -0.093 20 0 CBADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CNCCOC2)CC1 ZINC000925547130 658859188 /nfs/dbraw/zinc/85/91/88/658859188.db2.gz SAFFYVCIJMZUOV-OAHLLOKOSA-N 2 0 284.448 -0.018 20 0 CBADRP O=S1(=O)CCCN1CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925592807 658860841 /nfs/dbraw/zinc/86/08/41/658860841.db2.gz YQEXDYBNUWERKT-QSLWVIQJSA-N 2 0 299.440 -0.002 20 0 CBADRP FC(F)(F)[C@H](CN[C@H]1C[NH2+]CCOC1)N1CC[NH2+]CC1 ZINC000925699595 658865719 /nfs/dbraw/zinc/86/57/19/658865719.db2.gz KZFXAFOMQUQOGP-QWRGUYRKSA-N 2 0 296.337 -0.600 20 0 CBADRP C(CN1CC[NH2+]CC1)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925687724 658865960 /nfs/dbraw/zinc/86/59/60/658865960.db2.gz AHZLDBKYLMFVFL-MEBFFEOJSA-N 2 0 250.390 -0.522 20 0 CBADRP C1C[C@@H]([NH+]2CCC(N[C@@H]3C[NH2+]CCOC3)CC2)CO1 ZINC000925703708 658866668 /nfs/dbraw/zinc/86/66/68/658866668.db2.gz BDSNPXBPSLHCPI-ZIAGYGMSSA-N 2 0 269.389 -0.182 20 0 CBADRP c1cc(O[C@@H]2CC[NH2+]C2)cc(CN[C@@H]2C[NH2+]CCOC2)n1 ZINC000925708544 658867310 /nfs/dbraw/zinc/86/73/10/658867310.db2.gz RJVLBKCNZQLMPM-UKRRQHHQSA-N 2 0 292.383 -0.100 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925722106 658867656 /nfs/dbraw/zinc/86/76/56/658867656.db2.gz GPKYVNPHNAUNSQ-GXYBRJDSSA-N 2 0 292.427 -0.088 20 0 CBADRP c1c(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)nnn1[C@@H]1CC[NH2+]C1 ZINC000925719120 658867684 /nfs/dbraw/zinc/86/76/84/658867684.db2.gz OQFGOCGQSRVNQD-BKLCCMMDSA-N 2 0 288.399 -0.102 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925722111 658867955 /nfs/dbraw/zinc/86/79/55/658867955.db2.gz GPKYVNPHNAUNSQ-PMKSJIGOSA-N 2 0 292.427 -0.088 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925722114 658868104 /nfs/dbraw/zinc/86/81/04/658868104.db2.gz GPKYVNPHNAUNSQ-UQGHGMQMSA-N 2 0 292.427 -0.088 20 0 CBADRP c1cc(N2CC[NH2+]CC2)cc(N[C@@H]2C[NH2+]CCOC2)[nH+]1 ZINC000925725457 658869147 /nfs/dbraw/zinc/86/91/47/658869147.db2.gz LAQOUVUKRWKQEA-GFCCVEGCSA-N 3 0 277.372 -0.109 20 0 CBADRP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2[C@@H]3COC[C@H]2C[C@@H]([NH3+])C3)C1 ZINC000925771672 658870632 /nfs/dbraw/zinc/87/06/32/658870632.db2.gz ZNZRELLKNFHYAJ-BIYIIWIQSA-N 2 0 288.413 -0.096 20 0 CBADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880909 658875983 /nfs/dbraw/zinc/87/59/83/658875983.db2.gz WTYYGAVAKVHZKZ-RHYQMDGZSA-N 2 0 255.362 -0.003 20 0 CBADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880908 658876307 /nfs/dbraw/zinc/87/63/07/658876307.db2.gz WTYYGAVAKVHZKZ-NOOOWODRSA-N 2 0 255.362 -0.003 20 0 CBADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926334937 658893175 /nfs/dbraw/zinc/89/31/75/658893175.db2.gz WEFBZEFOFDBLNP-STQMWFEESA-N 2 0 296.415 -0.406 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)C[C@H]1[NH3+] ZINC000926337958 658893713 /nfs/dbraw/zinc/89/37/13/658893713.db2.gz UCSLYROOHNFELN-FDYHWXHSSA-N 2 0 294.399 -0.513 20 0 CBADRP CCO[C@@H](CNC(=O)NCC[NH+](C)C)C[NH+](C)C ZINC000926835854 658915785 /nfs/dbraw/zinc/91/57/85/658915785.db2.gz DUASIYPSHZLONJ-NSHDSACASA-N 2 0 260.382 -0.186 20 0 CBADRP C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000969595263 659008109 /nfs/dbraw/zinc/00/81/09/659008109.db2.gz TYDZYZJKZFYOFZ-QJPTWQEYSA-N 2 0 255.362 -0.348 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH2+]CCO)C2)CC[N@@H+]1C ZINC000969721208 659013572 /nfs/dbraw/zinc/01/35/72/659013572.db2.gz BUYCFDMHMCWANF-RWMBFGLXSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)C(N)=O ZINC000970178630 659037342 /nfs/dbraw/zinc/03/73/42/659037342.db2.gz VHBVBNVCBNHJPR-WCQYABFASA-N 2 0 296.415 -0.217 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000970716307 659068140 /nfs/dbraw/zinc/06/81/40/659068140.db2.gz BMQBVXGUWXCREH-CYBMUJFWSA-N 2 0 292.387 -0.436 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000970719643 659069539 /nfs/dbraw/zinc/06/95/39/659069539.db2.gz KGORUHYYGBZZOO-NEPJUHHUSA-N 2 0 280.372 -0.839 20 0 CBADRP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](CCCO)C1 ZINC000970879107 659074021 /nfs/dbraw/zinc/07/40/21/659074021.db2.gz RQQVOBRXLXOSHF-NEPJUHHUSA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972231497 659111036 /nfs/dbraw/zinc/11/10/36/659111036.db2.gz GEYNNQWZEVVCPW-YPMHNXCESA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH+](C)CCO)C2)C1 ZINC000972335078 659116693 /nfs/dbraw/zinc/11/66/93/659116693.db2.gz MTOAIEXQHGJUBR-CHWSQXEVSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972735224 659126636 /nfs/dbraw/zinc/12/66/36/659126636.db2.gz KHZUSSQNFVDYGI-OLZOCXBDSA-N 2 0 281.400 -0.004 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)C3(O)CCC3)CC2)C1 ZINC000929980416 659189708 /nfs/dbraw/zinc/18/97/08/659189708.db2.gz KISYZHYFUIVELP-CABCVRRESA-N 2 0 297.443 -0.026 20 0 CBADRP C[C@H](O)[C@H](O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000930059451 659201685 /nfs/dbraw/zinc/20/16/85/659201685.db2.gz DDETZOQXGHUMND-MEBFFEOJSA-N 2 0 272.389 -0.088 20 0 CBADRP C[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980404863 659269297 /nfs/dbraw/zinc/26/92/97/659269297.db2.gz DNCYDZHMDZXTPD-OLZOCXBDSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980405184 659269394 /nfs/dbraw/zinc/26/93/94/659269394.db2.gz GYNSZPIBYGGMGJ-NEPJUHHUSA-N 2 0 282.388 -0.511 20 0 CBADRP C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980404849 659271987 /nfs/dbraw/zinc/27/19/87/659271987.db2.gz DNCYDZHMDZXTPD-CHWSQXEVSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@@H](O)C[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)C[C@@H](C)O ZINC000930533757 659303565 /nfs/dbraw/zinc/30/35/65/659303565.db2.gz SPDHNXVYSWKHNO-IJLUTSLNSA-N 2 0 275.393 -0.884 20 0 CBADRP COC(=O)[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CC[N@H+](C)C1 ZINC000930713937 659328065 /nfs/dbraw/zinc/32/80/65/659328065.db2.gz QWAHWUBZFDSDGP-KBPBESRZSA-N 2 0 299.415 -0.520 20 0 CBADRP COC(=O)[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)CC[N@H+](C)C1 ZINC000930713939 659328326 /nfs/dbraw/zinc/32/83/26/659328326.db2.gz QWAHWUBZFDSDGP-UONOGXRCSA-N 2 0 299.415 -0.520 20 0 CBADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C[C@@H](O)C[NH+]1CCCC1 ZINC000930744347 659333961 /nfs/dbraw/zinc/33/39/61/659333961.db2.gz VQLNOQCPMNOYIQ-KFWWJZLASA-N 2 0 285.432 -0.170 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[NH+](CCO)CC2)C1 ZINC000981956937 659336467 /nfs/dbraw/zinc/33/64/67/659336467.db2.gz BCXWVOGYZRSZKG-CYBMUJFWSA-N 2 0 269.389 -0.145 20 0 CBADRP COC(=O)CNC(=O)CC[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931307942 659428693 /nfs/dbraw/zinc/42/86/93/659428693.db2.gz QDNUZXTYOJWBHM-GASCZTMLSA-N 2 0 297.399 -0.061 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986817264 659484311 /nfs/dbraw/zinc/48/43/11/659484311.db2.gz XLMXCOQKNQLDQK-AAEUAGOBSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000986959281 659485108 /nfs/dbraw/zinc/48/51/08/659485108.db2.gz PBSNYPYSXSMDIV-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000987123502 659487844 /nfs/dbraw/zinc/48/78/44/659487844.db2.gz KLHHVBBLFPKELP-WCQYABFASA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1[C@H]([NH2+]CCO)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987354937 659503148 /nfs/dbraw/zinc/50/31/48/659503148.db2.gz GHCRUZKGKZXFJL-VXGBXAGGSA-N 2 0 267.373 -0.347 20 0 CBADRP C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C[NH+]1CCCC1 ZINC000987525981 659510523 /nfs/dbraw/zinc/51/05/23/659510523.db2.gz PTKVLMXVDUPBPH-MNOVXSKESA-N 2 0 268.361 -0.854 20 0 CBADRP C[C@@H]1C[N@H+](C[C@@H](O)CO)CCN1c1cc[nH+]cc1 ZINC000931683446 659511516 /nfs/dbraw/zinc/51/15/16/659511516.db2.gz IPJMXNBENCQRCH-DGCLKSJQSA-N 2 0 251.330 -0.055 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC000989606812 659602389 /nfs/dbraw/zinc/60/23/89/659602389.db2.gz VJMXMTYWPFRSQM-STQMWFEESA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)C[NH+]1CCCC1 ZINC000989798842 659615356 /nfs/dbraw/zinc/61/53/56/659615356.db2.gz GQBCWFTWVQGIDY-QWRGUYRKSA-N 2 0 268.361 -0.854 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933740032 659734550 /nfs/dbraw/zinc/73/45/50/659734550.db2.gz GVUBGNOPOHQWLF-SWLSCSKDSA-N 2 0 297.399 -0.109 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000933847987 659742345 /nfs/dbraw/zinc/74/23/45/659742345.db2.gz RBOFWUNARFSOGC-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP C[NH+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000990508388 659752561 /nfs/dbraw/zinc/75/25/61/659752561.db2.gz MCOJCINPWYMNAE-CHWSQXEVSA-N 2 0 294.399 -0.498 20 0 CBADRP C[NH+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000990526395 659756414 /nfs/dbraw/zinc/75/64/14/659756414.db2.gz RJDLJJWGOXQGJG-DGCLKSJQSA-N 2 0 294.399 -0.641 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000934270009 659798679 /nfs/dbraw/zinc/79/86/79/659798679.db2.gz SDYUQCKTKPHAGD-SOUVJXGZSA-N 2 0 285.432 -0.170 20 0 CBADRP CC[C@@H](C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC000991708318 659841630 /nfs/dbraw/zinc/84/16/30/659841630.db2.gz FKTBXKVVSDLFHE-AAEUAGOBSA-N 2 0 296.415 -0.395 20 0 CBADRP O=C(C[NH+]1CCCC1)NC1CN(C(=O)C[NH+]2CCCC2)C1 ZINC000991750029 659844491 /nfs/dbraw/zinc/84/44/91/659844491.db2.gz TXZTXKSRWQOEMM-UHFFFAOYSA-N 2 0 294.399 -0.495 20 0 CBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCO ZINC000939550690 659890819 /nfs/dbraw/zinc/89/08/19/659890819.db2.gz ONWDVJVYJMWVDW-VXGBXAGGSA-N 2 0 267.373 -0.489 20 0 CBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC(N)=O ZINC000939546406 659891140 /nfs/dbraw/zinc/89/11/40/659891140.db2.gz RMSLCILOYUULPY-GHMZBOCLSA-N 2 0 280.372 -0.996 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000995551473 659902002 /nfs/dbraw/zinc/90/20/02/659902002.db2.gz NEQYWHPDPBPILM-QWRGUYRKSA-N 2 0 282.388 -0.608 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1)C1CC1 ZINC000995896569 659910786 /nfs/dbraw/zinc/91/07/86/659910786.db2.gz ORTHCKMPFSMMJK-WCQYABFASA-N 2 0 296.415 -0.362 20 0 CBADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1)C1CC1 ZINC000995896571 659911044 /nfs/dbraw/zinc/91/10/44/659911044.db2.gz ORTHCKMPFSMMJK-YPMHNXCESA-N 2 0 296.415 -0.362 20 0 CBADRP CC[C@H](C(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1)[NH+](C)C ZINC000995951582 659920341 /nfs/dbraw/zinc/92/03/41/659920341.db2.gz PUHYDVPIENGDNG-MNOVXSKESA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H]1C[N@H+](CCO)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944167958 659934448 /nfs/dbraw/zinc/93/44/48/659934448.db2.gz HECIMKRMHSUKHE-CHWSQXEVSA-N 2 0 281.400 -0.099 20 0 CBADRP C[C@H]1C[C@H](NC(=O)Cn2ccnc2)CC[N@@H+]1CCO ZINC000948090246 659965964 /nfs/dbraw/zinc/96/59/64/659965964.db2.gz HNDBSDZIFQDBRW-NWDGAFQWSA-N 2 0 266.345 -0.156 20 0 CBADRP c1nc(N2CCN3CC[NH2+]C[C@@H]3C2)nc2c1C[NH2+]CC2 ZINC001164393310 718830585 /nfs/dbraw/zinc/83/05/85/718830585.db2.gz ULWOZZUNZSPOAQ-GFCCVEGCSA-N 2 0 274.372 -0.784 20 0 CBADRP C[N@@H+]1CCO[C@H]2CN(c3ncnc4c3CC[NH2+]C4)C[C@@H]21 ZINC001164672581 719380706 /nfs/dbraw/zinc/38/07/06/719380706.db2.gz YPTMQXDUMUXSHM-STQMWFEESA-N 2 0 275.356 -0.359 20 0 CBADRP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000044413011 790325424 /nfs/dbraw/zinc/32/54/24/790325424.db2.gz NRWSYUATUOTAFC-WDEREUQCSA-N 2 0 268.361 -0.996 20 0 CBADRP C[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091311242 790371731 /nfs/dbraw/zinc/37/17/31/790371731.db2.gz AHRWEYQNEFIIBO-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH+](C)C1(CNS(=O)(=O)N2CC[NH2+]CC2)CCCC1 ZINC000133038118 790389877 /nfs/dbraw/zinc/38/98/77/790389877.db2.gz MKRSZZLPVHXWTA-UHFFFAOYSA-N 2 0 290.433 -0.400 20 0 CBADRP O=C(NC[C@@H]1CCC[N@@H+](CCO)C1)[C@H]1CCC[NH2+]1 ZINC000135409850 790394198 /nfs/dbraw/zinc/39/41/98/790394198.db2.gz MJUPGOUCSKPQAS-NWDGAFQWSA-N 2 0 255.362 -0.441 20 0 CBADRP COCC[NH+]1CCC(CNC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000172750140 790414047 /nfs/dbraw/zinc/41/40/47/790414047.db2.gz YXLIRYMHXMFMIA-AWEZNQCLSA-N 2 0 299.415 -0.208 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CCO1 ZINC000381188944 790517970 /nfs/dbraw/zinc/51/79/70/790517970.db2.gz WMCAHHXMOKGCAZ-RWMBFGLXSA-N 2 0 257.378 -0.509 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@H](C[NH3+])C1 ZINC000386198463 790544232 /nfs/dbraw/zinc/54/42/32/790544232.db2.gz WFCPRMREPHVBPR-OLZOCXBDSA-N 2 0 259.394 -0.404 20 0 CBADRP COCC(COC)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000384906861 790540115 /nfs/dbraw/zinc/54/01/15/790540115.db2.gz CHJPWYDHNQGHPX-LLVKDONJSA-N 2 0 273.377 -0.565 20 0 CBADRP CN(C)C(=O)CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000385317756 790540339 /nfs/dbraw/zinc/54/03/39/790540339.db2.gz HMNAWRWYDDNNSU-GFCCVEGCSA-N 2 0 254.378 -0.556 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN(C)C1(C[NH3+])CCC1 ZINC000385492973 790543092 /nfs/dbraw/zinc/54/30/92/790543092.db2.gz PHBUVJLDWVWQFH-LBPRGKRZSA-N 2 0 259.394 -0.261 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CCO)C2)C1 ZINC000386282321 790546687 /nfs/dbraw/zinc/54/66/87/790546687.db2.gz FUFAORJZJPQTMO-RYUDHWBXSA-N 2 0 255.362 -0.489 20 0 CBADRP CNC(=O)CN1CCC([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000392800530 790568758 /nfs/dbraw/zinc/56/87/58/790568758.db2.gz QBUSYNYCYFURIA-XNHOIOAFSA-N 2 0 292.427 -0.217 20 0 CBADRP [NH3+]CC1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000394079875 790576711 /nfs/dbraw/zinc/57/67/11/790576711.db2.gz OOEZQIJTIXSDIH-CYBMUJFWSA-N 2 0 257.378 -0.650 20 0 CBADRP CCCN(C[C@@H](O)C[N@H+](C)CCOC)[C@H]1CC[NH2+]C1 ZINC000394062031 790576871 /nfs/dbraw/zinc/57/68/71/790576871.db2.gz AMRVCHWNJNNZQU-KBPBESRZSA-N 2 0 273.421 -0.001 20 0 CBADRP [NH3+][C@@H](CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)C1CC1 ZINC000394385584 790577427 /nfs/dbraw/zinc/57/74/27/790577427.db2.gz MLERMSOGJFHYEU-STQMWFEESA-N 2 0 266.389 -0.380 20 0 CBADRP CCNS(=O)(=O)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400993294 790604913 /nfs/dbraw/zinc/60/49/13/790604913.db2.gz ZZNWCDDTJNLLLS-QJPTWQEYSA-N 2 0 275.418 -0.097 20 0 CBADRP C[NH+](C)CC1CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000405094718 790614185 /nfs/dbraw/zinc/61/41/85/790614185.db2.gz ISFIUFRLAUCWLI-UHFFFAOYSA-N 2 0 261.391 -0.438 20 0 CBADRP CS(=O)(=O)NCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405381820 790616065 /nfs/dbraw/zinc/61/60/65/790616065.db2.gz DDXZCWUUSCDDLJ-VHSXEESVSA-N 2 0 261.391 -0.215 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000405168011 790616613 /nfs/dbraw/zinc/61/66/13/790616613.db2.gz KPFZGOFLXATVBP-SNVBAGLBSA-N 2 0 259.375 -0.542 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCO)C2)CC1 ZINC000691898632 790674352 /nfs/dbraw/zinc/67/43/52/790674352.db2.gz NFLIZBXHIGWAEE-ZDUSSCGKSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000692012307 790676528 /nfs/dbraw/zinc/67/65/28/790676528.db2.gz CCFUKJHJKPLGDP-WOPDTQHZSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CCN1CCN1CCCS1(=O)=O ZINC000695077273 790687494 /nfs/dbraw/zinc/68/74/94/790687494.db2.gz ZJFWIDVFVBTAPG-MNOVXSKESA-N 2 0 261.391 -0.167 20 0 CBADRP [NH3+]C[C@H]1CCCN(CCN2CCCS2(=O)=O)C1 ZINC000695059758 790686959 /nfs/dbraw/zinc/68/69/59/790686959.db2.gz IBJBMDFTSVCNBB-LLVKDONJSA-N 2 0 261.391 -0.307 20 0 CBADRP C[C@H]1CCN(CCN2CCCS2(=O)=O)C[C@H]1C[NH3+] ZINC000695129193 790687252 /nfs/dbraw/zinc/68/72/52/790687252.db2.gz GYJLQTZCOAFVPA-NWDGAFQWSA-N 2 0 275.418 -0.061 20 0 CBADRP C[NH2+]CC1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000695135616 790689383 /nfs/dbraw/zinc/68/93/83/790689383.db2.gz MSRXDAGPZDTVKM-UHFFFAOYSA-N 2 0 275.418 -0.047 20 0 CBADRP C[N@H+](CCOCC[NH3+])Cc1ccc(OCC(N)=O)cc1 ZINC000699445640 790702727 /nfs/dbraw/zinc/70/27/27/790702727.db2.gz SOZARFAVDBCPGK-UHFFFAOYSA-N 2 0 281.356 -0.042 20 0 CBADRP C[C@@H]1C[C@H](N2CCN(CC(=O)N(C)C)CC2)CC[NH2+]1 ZINC000700800029 790710954 /nfs/dbraw/zinc/71/09/54/790710954.db2.gz BTNOTLYAMRYHTN-CHWSQXEVSA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@@H]1C[C@@H](N2CCN(CC(=O)N(C)C)CC2)CC[NH2+]1 ZINC000700800031 790709804 /nfs/dbraw/zinc/70/98/04/790709804.db2.gz BTNOTLYAMRYHTN-OLZOCXBDSA-N 2 0 268.405 -0.167 20 0 CBADRP CC(C)COC[C@@H](O)C[NH2+]C[C@]1(O)CCN(C)C1 ZINC000702571152 790721344 /nfs/dbraw/zinc/72/13/44/790721344.db2.gz WLMXCYYAYJWYRA-QWHCGFSZSA-N 2 0 260.378 -0.324 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000708816809 790735844 /nfs/dbraw/zinc/73/58/44/790735844.db2.gz VCRWBIOWWBWQMB-AAEUAGOBSA-N 2 0 255.362 -0.489 20 0 CBADRP CNC(=O)CN1CCC([NH2+][C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000709357269 790736708 /nfs/dbraw/zinc/73/67/08/790736708.db2.gz QDDOMQKJAVYMTR-YPMHNXCESA-N 2 0 268.405 -0.073 20 0 CBADRP C[NH+](C)CC1(O)CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000710562707 790740904 /nfs/dbraw/zinc/74/09/04/790740904.db2.gz OQGIDDOHZLCFIL-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000715853157 790751539 /nfs/dbraw/zinc/75/15/39/790751539.db2.gz HKBMHAZQJVJCCF-AWEZNQCLSA-N 2 0 267.373 -0.393 20 0 CBADRP C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)N1CCNCC1=O ZINC000719445620 790760720 /nfs/dbraw/zinc/76/07/20/790760720.db2.gz VZLRTPPFQLSVSW-MXWKQRLJSA-N 2 0 268.361 -0.985 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)c1c(C[NH3+])cnn1C ZINC000719255852 790761273 /nfs/dbraw/zinc/76/12/73/790761273.db2.gz GYJNVGJVUAJMEU-UHFFFAOYSA-N 2 0 253.350 -0.098 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720885032 790772170 /nfs/dbraw/zinc/77/21/70/790772170.db2.gz CEKOCXBPVWRQEL-NEPJUHHUSA-N 2 0 255.362 -0.083 20 0 CBADRP CO[C@]1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CCS(=O)(=O)C1 ZINC000721172706 790778820 /nfs/dbraw/zinc/77/88/20/790778820.db2.gz HRJHVMREELGRPL-SRVKXCTJSA-N 2 0 276.402 -0.093 20 0 CBADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[NH2+]CCO1 ZINC000720889864 790772440 /nfs/dbraw/zinc/77/24/40/790772440.db2.gz QDHVKCXCVVUIOK-UTUOFQBUSA-N 2 0 253.346 -0.330 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720877671 790773055 /nfs/dbraw/zinc/77/30/55/790773055.db2.gz APXJLQCWVVSLJY-GMTAPVOTSA-N 2 0 299.337 -0.253 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720885038 790773077 /nfs/dbraw/zinc/77/30/77/790773077.db2.gz CEKOCXBPVWRQEL-RYUDHWBXSA-N 2 0 255.362 -0.083 20 0 CBADRP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723696857 790803754 /nfs/dbraw/zinc/80/37/54/790803754.db2.gz ZIAXPGUDQVJQLU-LBPRGKRZSA-N 2 0 284.404 -0.358 20 0 CBADRP O[C@H](C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)C[NH+]1CCCC1 ZINC000724577214 790807066 /nfs/dbraw/zinc/80/70/66/790807066.db2.gz NURSQLVNKJCINB-MQYQWHSLSA-N 2 0 270.373 -0.163 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000724937540 790814233 /nfs/dbraw/zinc/81/42/33/790814233.db2.gz VNLUDWLCRXDZGI-STQMWFEESA-N 2 0 285.388 -0.421 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000822123804 790833678 /nfs/dbraw/zinc/83/36/78/790833678.db2.gz FMATYRMMVBNEFM-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP CCN(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867434884 790902923 /nfs/dbraw/zinc/90/29/23/790902923.db2.gz CSXZHLDSQHRMAA-CHWSQXEVSA-N 2 0 298.431 -0.338 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1)C(N)=O ZINC001020679177 790939686 /nfs/dbraw/zinc/93/96/86/790939686.db2.gz JDZVPHFUCCHMJB-RAIGVLPGSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1)C(N)=O ZINC001020985439 790939754 /nfs/dbraw/zinc/93/97/54/790939754.db2.gz CSBCOSLMXPPPGP-BLTAXRJOSA-N 2 0 294.399 -0.417 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001021897301 790966167 /nfs/dbraw/zinc/96/61/67/790966167.db2.gz HMPQZVSCATUYRI-KXNHARMFSA-N 2 0 280.372 -0.794 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001022076961 790987168 /nfs/dbraw/zinc/98/71/68/790987168.db2.gz GSIYGAMVCAMHEP-FVCCEPFGSA-N 2 0 294.399 -0.417 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)C(N)=O ZINC001022090154 790989094 /nfs/dbraw/zinc/98/90/94/790989094.db2.gz UAZBKTWAYXYJQI-SYEHKZFSSA-N 2 0 294.399 -0.561 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001022104214 790989471 /nfs/dbraw/zinc/98/94/71/790989471.db2.gz YSEJVGDHNKJFRR-NJMOYASZSA-N 2 0 269.389 -0.056 20 0 CBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001022119751 790992228 /nfs/dbraw/zinc/99/22/28/790992228.db2.gz HQMVDZHXBSNZFF-RNJOBUHISA-N 2 0 283.372 -0.921 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)CC[N@@H+]1C ZINC001022104995 790992274 /nfs/dbraw/zinc/99/22/74/790992274.db2.gz KCLDKVUBBFUTQL-UJPOAAIJSA-N 2 0 294.399 -0.548 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022293942 791002525 /nfs/dbraw/zinc/00/25/25/791002525.db2.gz XTDKVLJFNOWJNS-TUAOUCFPSA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022712262 791040012 /nfs/dbraw/zinc/04/00/12/791040012.db2.gz NYHUSIFMLVDZPA-MXWKQRLJSA-N 2 0 268.361 -0.807 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022716295 791041344 /nfs/dbraw/zinc/04/13/44/791041344.db2.gz UUUDSHYKILVXOI-MXWKQRLJSA-N 2 0 268.361 -0.950 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1)C(N)=O ZINC001022713736 791042092 /nfs/dbraw/zinc/04/20/92/791042092.db2.gz MBXMKESTYLXVPD-FVCCEPFGSA-N 2 0 296.415 -0.171 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1)C(N)=O ZINC001022712675 791042123 /nfs/dbraw/zinc/04/21/23/791042123.db2.gz XIXZKVLBCXZPQZ-NDBYEHHHSA-N 2 0 296.415 -0.029 20 0 CBADRP Cc1ncc(C[NH2+]CCNC(=O)COCC[NH+](C)C)o1 ZINC001147893961 814924722 /nfs/dbraw/zinc/92/47/22/814924722.db2.gz VZLSVHDWNNAFMB-UHFFFAOYSA-N 2 0 284.360 -0.233 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001077679164 805765874 /nfs/dbraw/zinc/76/58/74/805765874.db2.gz IQHVROLUYNUENO-QJPTWQEYSA-N 2 0 255.362 -0.491 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CC3)C[C@H]2O)C1 ZINC001078174129 805850981 /nfs/dbraw/zinc/85/09/81/805850981.db2.gz CBRCKVONMKBQGQ-MGPQQGTHSA-N 2 0 281.400 -0.101 20 0 CBADRP C[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079489856 805919933 /nfs/dbraw/zinc/91/99/33/805919933.db2.gz QOPSRNHJIILOIR-UPJWGTAASA-N 2 0 269.389 -0.101 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001147994544 814927360 /nfs/dbraw/zinc/92/73/60/814927360.db2.gz JASRUUAKWPUKSD-NSHDSACASA-N 2 0 280.372 -0.981 20 0 CBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977226 814927403 /nfs/dbraw/zinc/92/74/03/814927403.db2.gz NCGSTHMIETWQFV-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001080442472 805982821 /nfs/dbraw/zinc/98/28/21/805982821.db2.gz AZSAMMMGXIDVSG-JHJVBQTASA-N 2 0 269.389 -0.101 20 0 CBADRP O=C(C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2)N1CCC1 ZINC001147970822 814927500 /nfs/dbraw/zinc/92/75/00/814927500.db2.gz QOTPNBJCABZXJP-UHFFFAOYSA-N 2 0 280.372 -0.980 20 0 CBADRP Cn1nccc1C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147971124 814927695 /nfs/dbraw/zinc/92/76/95/814927695.db2.gz VEMTYGDLNMVEQO-UHFFFAOYSA-N 2 0 277.372 -0.278 20 0 CBADRP C[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080786208 806010737 /nfs/dbraw/zinc/01/07/37/806010737.db2.gz BEBGKFIXDLHPOC-CHWSQXEVSA-N 2 0 281.400 -0.099 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080787515 806010781 /nfs/dbraw/zinc/01/07/81/806010781.db2.gz DLKXMIJOIDZHHF-JHJVBQTASA-N 2 0 281.400 -0.101 20 0 CBADRP C[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080936364 806017716 /nfs/dbraw/zinc/01/77/16/806017716.db2.gz VDNNTHDDPKNJQY-FRRDWIJNSA-N 2 0 269.389 -0.243 20 0 CBADRP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081694309 806116433 /nfs/dbraw/zinc/11/64/33/806116433.db2.gz WBOKJEDVMCYGMY-AAVRWANBSA-N 2 0 299.415 -0.212 20 0 CBADRP CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095854 806145328 /nfs/dbraw/zinc/14/53/28/806145328.db2.gz MAZNCIWEIVIGAK-MRVWCRGKSA-N 2 0 299.415 -0.476 20 0 CBADRP CO[C@@H]1CN(CCO)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001082133663 806147865 /nfs/dbraw/zinc/14/78/65/806147865.db2.gz LLKIPODHZYKHKQ-JHJVBQTASA-N 2 0 285.388 -0.722 20 0 CBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082132642 806148833 /nfs/dbraw/zinc/14/88/33/806148833.db2.gz LODYCGIJXOMZEJ-BFHYXJOUSA-N 2 0 299.415 -0.474 20 0 CBADRP CO[C@@H]1CN(CCO)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001082132941 806149611 /nfs/dbraw/zinc/14/96/11/806149611.db2.gz YWYQNGRXHIEZQZ-YNEHKIRRSA-N 2 0 285.388 -0.864 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CC(N)=O ZINC001082515387 806185187 /nfs/dbraw/zinc/18/51/87/806185187.db2.gz MHCKBFBVUVYLPY-RAIGVLPGSA-N 2 0 294.399 -0.750 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC(N)=O ZINC001082596338 806186423 /nfs/dbraw/zinc/18/64/23/806186423.db2.gz GNNLYKSKLYYNII-IJLUTSLNSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)C(N)=O ZINC001082719974 806191768 /nfs/dbraw/zinc/19/17/68/806191768.db2.gz ZXFLPDJXGYONSE-NQBHXWOUSA-N 2 0 296.415 -0.362 20 0 CBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC(N)=O ZINC001082741304 806192622 /nfs/dbraw/zinc/19/26/22/806192622.db2.gz WRCHTQJKZUXJDE-GRYCIOLGSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCO)C2)C1 ZINC001082742867 806192944 /nfs/dbraw/zinc/19/29/44/806192944.db2.gz VBAMWCRYOVCRSG-JHJVBQTASA-N 2 0 269.389 -0.243 20 0 CBADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001082747333 806193811 /nfs/dbraw/zinc/19/38/11/806193811.db2.gz MKQXAFWKTPHYJL-MXWKQRLJSA-N 2 0 270.377 -0.752 20 0 CBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)C(N)=O ZINC001082921342 806198597 /nfs/dbraw/zinc/19/85/97/806198597.db2.gz FWYNVSKJFLXYOO-GRYCIOLGSA-N 2 0 282.388 -0.608 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470230 806336975 /nfs/dbraw/zinc/33/69/75/806336975.db2.gz GMTVSBKJPGUEHC-OLZOCXBDSA-N 2 0 295.387 -0.761 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC)C[C@@H]2O)CC[N@@H+]1C ZINC001083474811 806338702 /nfs/dbraw/zinc/33/87/02/806338702.db2.gz BLVUNCFQRFAYDF-LOWDOPEQSA-N 2 0 269.389 -0.102 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001083719812 806414791 /nfs/dbraw/zinc/41/47/91/806414791.db2.gz XOCMOTYQGYFKDO-MCIONIFRSA-N 2 0 299.415 -0.738 20 0 CBADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)CC1 ZINC001083908825 806460566 /nfs/dbraw/zinc/46/05/66/806460566.db2.gz YZIMPPMCVMBKAQ-KGLIPLIRSA-N 2 0 299.415 -0.740 20 0 CBADRP CC(C)[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083957736 806470254 /nfs/dbraw/zinc/47/02/54/806470254.db2.gz NIVYKGSTEPOWMS-NEPJUHHUSA-N 2 0 267.373 -0.348 20 0 CBADRP CC(C)[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084056704 806480741 /nfs/dbraw/zinc/48/07/41/806480741.db2.gz KPIVKABHVBTLOZ-TUAOUCFPSA-N 2 0 255.362 -0.492 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2O)C1 ZINC001084053534 806482395 /nfs/dbraw/zinc/48/23/95/806482395.db2.gz BBMHUGMXOOJQBU-XQQFMLRXSA-N 2 0 267.373 -0.491 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CC[NH+](CCO)C[C@H]21 ZINC001084661425 806529377 /nfs/dbraw/zinc/52/93/77/806529377.db2.gz SVTKYETZULNCBE-MGPQQGTHSA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001084778037 806535900 /nfs/dbraw/zinc/53/59/00/806535900.db2.gz CASNHUCZPQBSAG-BFHYXJOUSA-N 2 0 293.411 -0.004 20 0 CBADRP C[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001084831787 806539651 /nfs/dbraw/zinc/53/96/51/806539651.db2.gz ZMOYXEYWQKZULU-YNEHKIRRSA-N 2 0 294.399 -0.511 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCO)C1 ZINC001085422735 806555934 /nfs/dbraw/zinc/55/59/34/806555934.db2.gz DURZBPHEXWCWGS-YNEHKIRRSA-N 2 0 269.389 -0.053 20 0 CBADRP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085598209 806585179 /nfs/dbraw/zinc/58/51/79/806585179.db2.gz OYUZMADOMHIQPG-ZIAGYGMSSA-N 2 0 281.400 -0.147 20 0 CBADRP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)C1CC[NH+](C)CC1 ZINC001085799400 806611137 /nfs/dbraw/zinc/61/11/37/806611137.db2.gz QHSCPKSZYAFKID-CYBMUJFWSA-N 2 0 269.389 -0.147 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001022976703 798872433 /nfs/dbraw/zinc/87/24/33/798872433.db2.gz FBXLEOUQAWQYKE-UTUOFQBUSA-N 2 0 255.362 -0.443 20 0 CBADRP Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023084811 798879916 /nfs/dbraw/zinc/87/99/16/798879916.db2.gz ZWGPICJHQJUIDR-SDDRHHMPSA-N 2 0 292.387 -0.496 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001023083887 798880597 /nfs/dbraw/zinc/88/05/97/798880597.db2.gz CGLUCNZFXSIBJV-ZRUFSTJUSA-N 2 0 268.361 -0.951 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCO)C1 ZINC001023275159 798897475 /nfs/dbraw/zinc/89/74/75/798897475.db2.gz HJBLTKPQEYEYSV-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001023744098 798919367 /nfs/dbraw/zinc/91/93/67/798919367.db2.gz INKWJDCYODRQPL-CHWSQXEVSA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001025708150 798971075 /nfs/dbraw/zinc/97/10/75/798971075.db2.gz KSYIMZJCEMKJAQ-LBELIVKGSA-N 2 0 267.373 -0.492 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001025781585 798974701 /nfs/dbraw/zinc/97/47/01/798974701.db2.gz KUQQYRNMEUMMPU-BTFPBAQTSA-N 2 0 293.411 -0.101 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21 ZINC001026045549 798987914 /nfs/dbraw/zinc/98/79/14/798987914.db2.gz HPAVQEROUWGCCG-POQQGIQPSA-N 2 0 281.400 -0.387 20 0 CBADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@@H]2C1 ZINC001026420107 799004597 /nfs/dbraw/zinc/00/45/97/799004597.db2.gz DFECFUNZVZBKLY-BFHYXJOUSA-N 2 0 281.400 -0.099 20 0 CBADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@H]2C1 ZINC001026420109 799004638 /nfs/dbraw/zinc/00/46/38/799004638.db2.gz DFECFUNZVZBKLY-MELADBBJSA-N 2 0 281.400 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001026464654 799005696 /nfs/dbraw/zinc/00/56/96/799005696.db2.gz PFVBFNCUZHUBDL-HTAVTVPLSA-N 2 0 282.388 -0.417 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001026515784 799006809 /nfs/dbraw/zinc/00/68/09/799006809.db2.gz JRIJJWNPTVMTGF-BPCQOVAHSA-N 2 0 296.415 -0.027 20 0 CBADRP C[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027333839 799040073 /nfs/dbraw/zinc/04/00/73/799040073.db2.gz DDUUODAMEVUEGR-STQMWFEESA-N 2 0 269.389 -0.004 20 0 CBADRP C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027333836 799040468 /nfs/dbraw/zinc/04/04/68/799040468.db2.gz DDUUODAMEVUEGR-CHWSQXEVSA-N 2 0 269.389 -0.004 20 0 CBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCO)C1 ZINC001028094405 799109483 /nfs/dbraw/zinc/10/94/83/799109483.db2.gz YWPYXWJJVABCCP-KBPBESRZSA-N 2 0 299.415 -0.332 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC001028320569 799122571 /nfs/dbraw/zinc/12/25/71/799122571.db2.gz SOKWOFSEJCEBMB-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCO)C1 ZINC001028318642 799123081 /nfs/dbraw/zinc/12/30/81/799123081.db2.gz BATJQNGOLJGEMI-VXGBXAGGSA-N 2 0 255.362 -0.489 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2CCO)C1 ZINC001028318638 799123318 /nfs/dbraw/zinc/12/33/18/799123318.db2.gz BATJQNGOLJGEMI-NWDGAFQWSA-N 2 0 255.362 -0.489 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001028447096 799137344 /nfs/dbraw/zinc/13/73/44/799137344.db2.gz LUZANUXQKWEVOE-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCO)C1 ZINC001028445916 799138101 /nfs/dbraw/zinc/13/81/01/799138101.db2.gz XHUAOPZIERXUDQ-NEPJUHHUSA-N 2 0 255.362 -0.489 20 0 CBADRP CN1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+](CCF)C2)C1 ZINC001028465958 799140239 /nfs/dbraw/zinc/14/02/39/799140239.db2.gz NTCRSFBKVMMVDQ-RYUDHWBXSA-N 2 0 273.352 -0.275 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](CCCO)C2)C1 ZINC001028982437 799184421 /nfs/dbraw/zinc/18/44/21/799184421.db2.gz KWYAFCDYMGTZSD-CHWSQXEVSA-N 2 0 269.389 -0.241 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001029004203 799186288 /nfs/dbraw/zinc/18/62/88/799186288.db2.gz UTGRDBIPKMZQBV-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001029584497 799203135 /nfs/dbraw/zinc/20/31/35/799203135.db2.gz WIRWKTOEBWMWCM-RWMBFGLXSA-N 2 0 267.373 -0.394 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001030019448 799211383 /nfs/dbraw/zinc/21/13/83/799211383.db2.gz FKHMPERYHUUPLC-SDDRHHMPSA-N 2 0 284.404 -0.219 20 0 CBADRP O=C(NCC1C[NH+](CCO)C1)C12CCC[NH+](CCC1)C2 ZINC001031765085 799541810 /nfs/dbraw/zinc/54/18/10/799541810.db2.gz UUIGSVKDPPGAKE-UHFFFAOYSA-N 2 0 281.400 -0.097 20 0 CBADRP CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031856876 799552095 /nfs/dbraw/zinc/55/20/95/799552095.db2.gz LADFTCXEXFRXEP-QRJNDHJOSA-N 2 0 279.384 -0.083 20 0 CBADRP COCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001031920920 799562981 /nfs/dbraw/zinc/56/29/81/799562981.db2.gz CWRAHVGUHFFNRR-CQSZACIVSA-N 2 0 299.415 -0.210 20 0 CBADRP COCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001031920919 799563147 /nfs/dbraw/zinc/56/31/47/799563147.db2.gz CWRAHVGUHFFNRR-AWEZNQCLSA-N 2 0 299.415 -0.210 20 0 CBADRP C[NH+]1CCC(C(=O)NCC2C[NH+](CCCO)C2)CC1 ZINC001031949009 799565506 /nfs/dbraw/zinc/56/55/06/799565506.db2.gz YMMDDJVQWGKECW-UHFFFAOYSA-N 2 0 269.389 -0.241 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CCn3cncn3)C2)C1 ZINC001032185844 799590824 /nfs/dbraw/zinc/59/08/24/799590824.db2.gz DEWVCCHYUMZSNG-ZDUSSCGKSA-N 2 0 292.387 -0.722 20 0 CBADRP C[C@H](O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032186026 799590925 /nfs/dbraw/zinc/59/09/25/799590925.db2.gz GLQXCKKAIBONRT-JQWIXIFHSA-N 2 0 255.362 -0.633 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)C1 ZINC001032732237 799661886 /nfs/dbraw/zinc/66/18/86/799661886.db2.gz ZEFNXDVMDMOFDR-AGIUHOORSA-N 2 0 267.373 -0.394 20 0 CBADRP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CCO)C1 ZINC001033199577 799723924 /nfs/dbraw/zinc/72/39/24/799723924.db2.gz VRLXLEBTMPUILD-CHWSQXEVSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](CCO)C2)C1 ZINC001033416333 799753078 /nfs/dbraw/zinc/75/30/78/799753078.db2.gz OZEBGCQVXYOYFV-STQMWFEESA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CC[NH+](CCO)C1 ZINC001033421670 799753116 /nfs/dbraw/zinc/75/31/16/799753116.db2.gz DJYPTKQPXZRKJI-OLZOCXBDSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033657907 799775898 /nfs/dbraw/zinc/77/58/98/799775898.db2.gz OIGOLZCJRSFRQH-CHWSQXEVSA-N 2 0 269.389 -0.004 20 0 CBADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCO)C1 ZINC001033663165 799777181 /nfs/dbraw/zinc/77/71/81/799777181.db2.gz UNGUNFMIBJSGNH-NEPJUHHUSA-N 2 0 255.362 -0.537 20 0 CBADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033660061 799778557 /nfs/dbraw/zinc/77/85/57/799778557.db2.gz HCQDLXUZGJEKII-QWHCGFSZSA-N 2 0 269.389 -0.147 20 0 CBADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CCO)C1 ZINC001034014823 799808372 /nfs/dbraw/zinc/80/83/72/799808372.db2.gz DRPRWWRVNXOEHD-ZDUSSCGKSA-N 2 0 281.400 -0.003 20 0 CBADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001034606928 799848693 /nfs/dbraw/zinc/84/86/93/799848693.db2.gz IBCUXNKNAJUYAF-ZDEQEGDKSA-N 2 0 296.415 -0.029 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001034971881 799863231 /nfs/dbraw/zinc/86/32/31/799863231.db2.gz XVPLHOFMRATVDP-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001035126243 799870701 /nfs/dbraw/zinc/87/07/01/799870701.db2.gz WBETXARWMODFDP-OLZOCXBDSA-N 2 0 294.399 -0.449 20 0 CBADRP CN1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CC3CC3)CCO2)C1 ZINC001035325842 799891272 /nfs/dbraw/zinc/89/12/72/799891272.db2.gz DCAQCQXFVQNNMN-ZIAGYGMSSA-N 2 0 297.399 -0.456 20 0 CBADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1[NH2+]CC(N)=O ZINC001036179614 799982687 /nfs/dbraw/zinc/98/26/87/799982687.db2.gz OBHIXUVTHRLPOP-DGCLKSJQSA-N 2 0 296.415 -0.360 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001036895652 800011478 /nfs/dbraw/zinc/01/14/78/800011478.db2.gz BQTITVNNEZFWHK-KGLIPLIRSA-N 2 0 281.400 -0.003 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038664403 801234587 /nfs/dbraw/zinc/23/45/87/801234587.db2.gz UWNAALADZIMBTB-DGCLKSJQSA-N 2 0 269.389 -0.101 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[NH+](CCO)C2)C1 ZINC001041142116 801369680 /nfs/dbraw/zinc/36/96/80/801369680.db2.gz UCYQJTSHUDPRFW-UKRRQHHQSA-N 2 0 281.400 -0.003 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CC(N)=O)C2)C1)[NH+](C)C ZINC001041691632 801414517 /nfs/dbraw/zinc/41/45/17/801414517.db2.gz FNBPWKGCHPOEPS-SWLSCSKDSA-N 2 0 296.415 -0.264 20 0 CBADRP NC(=O)CN1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001042358498 801458609 /nfs/dbraw/zinc/45/86/09/801458609.db2.gz RVQJDBAMBUFLOV-CHWSQXEVSA-N 2 0 294.399 -0.510 20 0 CBADRP COCCN1CC(N(C)C(=O)Cn2cncc2C)C1 ZINC001043358699 801558050 /nfs/dbraw/zinc/55/80/50/801558050.db2.gz ZMEUPAISYQJJTR-UHFFFAOYSA-N 2 0 266.345 -0.019 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044629686 801660847 /nfs/dbraw/zinc/66/08/47/801660847.db2.gz ONYPWUDOSUYZFF-RYUDHWBXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001044825597 801672099 /nfs/dbraw/zinc/67/20/99/801672099.db2.gz WBCXSCCUWJWFAN-RYUDHWBXSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@@]1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+](CCO)C1 ZINC001046317043 801753886 /nfs/dbraw/zinc/75/38/86/801753886.db2.gz DSMPDBBVEWFALZ-UKRRQHHQSA-N 2 0 281.400 -0.099 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](CCO)C2)C1 ZINC001046838125 801794765 /nfs/dbraw/zinc/79/47/65/801794765.db2.gz FITKYEZFIWRJBD-DGCLKSJQSA-N 2 0 255.362 -0.489 20 0 CBADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001047627910 801914973 /nfs/dbraw/zinc/91/49/73/801914973.db2.gz ZOLNKDQCBFMJNE-STQMWFEESA-N 2 0 287.379 -0.055 20 0 CBADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001047627680 801915295 /nfs/dbraw/zinc/91/52/95/801915295.db2.gz TZLLPRRCZPHQEN-AVGNSLFASA-N 2 0 287.379 -0.199 20 0 CBADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(N)=O)C[C@@H]2C1)[NH+](C)C ZINC001049064330 801995613 /nfs/dbraw/zinc/99/56/13/801995613.db2.gz DCQWYVJSIULOKQ-NDBYEHHHSA-N 2 0 296.415 -0.409 20 0 CBADRP C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049213881 802008214 /nfs/dbraw/zinc/00/82/14/802008214.db2.gz XEZPEJZDUUCASO-RFQIPJPRSA-N 2 0 281.400 -0.291 20 0 CBADRP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049213638 802009283 /nfs/dbraw/zinc/00/92/83/802009283.db2.gz RIIWNRWZNVHPAW-UPJWGTAASA-N 2 0 294.399 -0.926 20 0 CBADRP C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049213882 802009357 /nfs/dbraw/zinc/00/93/57/802009357.db2.gz XEZPEJZDUUCASO-RQJABVFESA-N 2 0 281.400 -0.291 20 0 CBADRP CC[C@H](C(=O)N1CC2(C1)CC[NH+](CC(N)=O)CC2)[NH+](C)C ZINC001050560665 802067412 /nfs/dbraw/zinc/06/74/12/802067412.db2.gz DBDHHIACMPCFMK-GFCCVEGCSA-N 2 0 296.415 -0.264 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](CC(N)=O)CC3)C1 ZINC001050753945 802072547 /nfs/dbraw/zinc/07/25/47/802072547.db2.gz JKLZKNINRKZUPM-LBPRGKRZSA-N 2 0 294.399 -0.652 20 0 CBADRP CC[NH2+]C[C@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)CCO1 ZINC001051933417 802172359 /nfs/dbraw/zinc/17/23/59/802172359.db2.gz HMQZNERGRTVPAD-KGLIPLIRSA-N 2 0 299.415 -0.208 20 0 CBADRP CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001051931751 802172437 /nfs/dbraw/zinc/17/24/37/802172437.db2.gz FBFCXMXARUWPDI-GFCCVEGCSA-N 2 0 255.362 -0.081 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](CCO)CC2)C1 ZINC001052934281 802224544 /nfs/dbraw/zinc/22/45/44/802224544.db2.gz ISNIOZHKSBYXDK-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052937719 802225407 /nfs/dbraw/zinc/22/54/07/802225407.db2.gz NBTRZHQYPZTRCX-GFCCVEGCSA-N 2 0 282.388 -0.462 20 0 CBADRP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001054296968 802331466 /nfs/dbraw/zinc/33/14/66/802331466.db2.gz XPBPAEOXZOHVGX-FRRDWIJNSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]CC(N)=O ZINC001054853314 802374834 /nfs/dbraw/zinc/37/48/34/802374834.db2.gz FZOLIVDNKOLGLW-NWDGAFQWSA-N 2 0 294.399 -0.463 20 0 CBADRP CC(=O)NCC[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001055480256 802395959 /nfs/dbraw/zinc/39/59/59/802395959.db2.gz SHYMLTFJWBBEBH-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP CC(=O)NCC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001055483244 802396305 /nfs/dbraw/zinc/39/63/05/802396305.db2.gz SYALJHGWPYNIKY-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001055483109 802396566 /nfs/dbraw/zinc/39/65/66/802396566.db2.gz NQISZQPCEKTNCP-AWEZNQCLSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(=O)NC1CC[NH+](CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001055578268 802399341 /nfs/dbraw/zinc/39/93/41/802399341.db2.gz LJUAMNFYPLFZRQ-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP CNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148216059 814933973 /nfs/dbraw/zinc/93/39/73/814933973.db2.gz LBWQOLKELYIJQD-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148216662 814934820 /nfs/dbraw/zinc/93/48/20/814934820.db2.gz QPAJVYXBWRXJQJ-GFCCVEGCSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001116954056 812346629 /nfs/dbraw/zinc/34/66/29/812346629.db2.gz UCZSSOATYVIRHX-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC[C@H](C)[NH2+]C ZINC001118043929 812464987 /nfs/dbraw/zinc/46/49/87/812464987.db2.gz WSRSUSWGXDXNHK-NWDGAFQWSA-N 2 0 286.420 -0.053 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cccnc2)CC1 ZINC001118148933 812479434 /nfs/dbraw/zinc/47/94/34/812479434.db2.gz ZVWCGHWFVYFGIC-AWEZNQCLSA-N 2 0 264.373 -0.221 20 0 CBADRP [NH3+]CC1(O)CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001119682208 812865501 /nfs/dbraw/zinc/86/55/01/812865501.db2.gz AXODCVXVZMGDKI-NSHDSACASA-N 3 0 255.362 -0.850 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC001119682427 812866711 /nfs/dbraw/zinc/86/67/11/812866711.db2.gz JDTAGMNNSKGTAD-PEDHHIEDSA-N 2 0 269.389 -0.632 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@@H](N3CCNC3=O)C2)C1 ZINC001119683140 812866854 /nfs/dbraw/zinc/86/68/54/812866854.db2.gz YLJNPVPUQPGMHW-USZNOCQGSA-N 2 0 268.361 -0.673 20 0 CBADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCN1CC[NH2+]CC1)CC2 ZINC001119682689 812866948 /nfs/dbraw/zinc/86/69/48/812866948.db2.gz RFAGFKUCNPWIOU-AWEZNQCLSA-N 3 0 282.432 -0.279 20 0 CBADRP O[C@H](C[NH2+]CCC[NH+]1CCCC1)C[C@@]1(O)CCOC1 ZINC001120243972 812940954 /nfs/dbraw/zinc/94/09/54/812940954.db2.gz JWMZJKRRNKFNCO-KBPBESRZSA-N 2 0 272.389 -0.036 20 0 CBADRP C[C@]1(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[C@H](O)C[NH2+]1 ZINC001121931132 813091816 /nfs/dbraw/zinc/09/18/16/813091816.db2.gz FCKRZJSRPAIDOK-CUOUOBHDSA-N 2 0 267.373 -0.315 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001121936851 813092195 /nfs/dbraw/zinc/09/21/95/813092195.db2.gz HXNPVAGTVPSNRP-UHFFFAOYSA-N 2 0 254.378 -0.473 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC1=CC[NH2+]CC1 ZINC001122015276 813104988 /nfs/dbraw/zinc/10/49/88/813104988.db2.gz MLBXNJAMPCNYMH-AAEUAGOBSA-N 2 0 264.373 -0.589 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1C[NH2+]CCN1C ZINC001122018550 813105176 /nfs/dbraw/zinc/10/51/76/813105176.db2.gz POLQDGQRLWRRRJ-GARJFASQSA-N 2 0 258.341 -0.952 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC1=CC[NH2+]CC1 ZINC001122015282 813105591 /nfs/dbraw/zinc/10/55/91/813105591.db2.gz MLBXNJAMPCNYMH-YPMHNXCESA-N 2 0 264.373 -0.589 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001122103233 813118124 /nfs/dbraw/zinc/11/81/24/813118124.db2.gz XCSDUZCEFMIVKD-BREBYQMCSA-N 2 0 266.345 -0.167 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC001122101012 813118332 /nfs/dbraw/zinc/11/83/32/813118332.db2.gz UXPWGYWYTIVYIT-VXGBXAGGSA-N 2 0 254.378 -0.380 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001122133720 813121319 /nfs/dbraw/zinc/12/13/19/813121319.db2.gz GDMLQMPSSUJECO-JGVFFNPUSA-N 2 0 265.304 -0.554 20 0 CBADRP O=C(N1CCC[C@H]([NH2+]CCO)C1)[C@]1(F)CC[NH2+]C1 ZINC001122173742 813127939 /nfs/dbraw/zinc/12/79/39/813127939.db2.gz LJWFEZNXNUGNBD-JQWIXIFHSA-N 2 0 259.325 -0.739 20 0 CBADRP [NH3+][C@H](C(=O)N1CCC[C@@H]([NH2+]CCO)C1)C1CCC1 ZINC001122175778 813128242 /nfs/dbraw/zinc/12/82/42/813128242.db2.gz PNSVESMPIRXXGU-NEPJUHHUSA-N 2 0 255.362 -0.313 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001122368090 813154492 /nfs/dbraw/zinc/15/44/92/813154492.db2.gz MGUHCRIFZITPMG-WOPDTQHZSA-N 2 0 257.378 -0.197 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC001122401828 813160164 /nfs/dbraw/zinc/16/01/64/813160164.db2.gz KTSGDOKHARWENA-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC001122419319 813162839 /nfs/dbraw/zinc/16/28/39/813162839.db2.gz ONWFUZHJJSPRDP-VXGBXAGGSA-N 2 0 267.373 -0.177 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C[C@H](O)C[NH3+])C[C@@H]2C1 ZINC001122427613 813164120 /nfs/dbraw/zinc/16/41/20/813164120.db2.gz CBYVMUYHWBNZAO-XQHKEYJVSA-N 2 0 269.389 -0.115 20 0 CBADRP O=C(N1CC[N@@H+]2CC[C@H]1C2)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001122511525 813172266 /nfs/dbraw/zinc/17/22/66/813172266.db2.gz SYPJSHBPVJWENZ-DYEKYZERSA-N 2 0 265.357 -0.471 20 0 CBADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H](C)O ZINC001127065597 813708793 /nfs/dbraw/zinc/70/87/93/813708793.db2.gz BUUYLMSQEGQTET-NWDGAFQWSA-N 2 0 257.378 -0.054 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NC1CCCC1 ZINC001133294365 814238238 /nfs/dbraw/zinc/23/82/38/814238238.db2.gz FTABCJYDRBJALF-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001133291755 814238286 /nfs/dbraw/zinc/23/82/86/814238286.db2.gz YOKPMYDDCBFOHF-UHFFFAOYSA-N 2 0 270.377 -0.734 20 0 CBADRP CCC[C@H](C)NC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133291270 814238451 /nfs/dbraw/zinc/23/84/51/814238451.db2.gz NODZWHGIHIWGNN-LBPRGKRZSA-N 2 0 286.420 -0.051 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)N1CCCC1)[NH+](C)C ZINC001133415533 814249789 /nfs/dbraw/zinc/24/97/89/814249789.db2.gz BYLZAUUKGVRBOU-CQSZACIVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)C(=O)NC1CC1 ZINC001133833960 814304192 /nfs/dbraw/zinc/30/41/92/814304192.db2.gz KPEBOFZQZLYEGF-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001133834463 814305070 /nfs/dbraw/zinc/30/50/70/814305070.db2.gz YJVPXHHJPCABKU-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)N(C)C)C1 ZINC001133845428 814306002 /nfs/dbraw/zinc/30/60/02/814306002.db2.gz FSCXKZSTQHXWON-LLVKDONJSA-N 2 0 270.377 -0.878 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133982705 814332484 /nfs/dbraw/zinc/33/24/84/814332484.db2.gz IXKNABBYKUBELC-JTQLQIEISA-N 2 0 258.366 -0.832 20 0 CBADRP CCCCNC(=O)C[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133983094 814333694 /nfs/dbraw/zinc/33/36/94/814333694.db2.gz ZDZGAODWYFVPAD-LBPRGKRZSA-N 2 0 286.420 -0.051 20 0 CBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133982836 814333857 /nfs/dbraw/zinc/33/38/57/814333857.db2.gz OZPPHVLQLHCXAZ-RYUDHWBXSA-N 2 0 286.420 -0.053 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)C1CC[NH+](C)CC1 ZINC001143316651 814769577 /nfs/dbraw/zinc/76/95/77/814769577.db2.gz YVYPCJAYEHEGFI-UHFFFAOYSA-N 2 0 271.361 -0.321 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)/C=C/C(=O)OC ZINC001144110399 814773038 /nfs/dbraw/zinc/77/30/38/814773038.db2.gz YYCOYTQNBCUEIA-VOTSOKGWSA-N 2 0 270.333 -0.221 20 0 CBADRP CN(CC(=O)NCC[C@@H]1CCC[N@H+](C)C1)C(N)=[NH2+] ZINC001144144258 814773831 /nfs/dbraw/zinc/77/38/31/814773831.db2.gz VVZAWDNEEXZFHA-JTQLQIEISA-N 2 0 255.366 -0.340 20 0 CBADRP C[NH+](C)CCCCC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001148360438 814939074 /nfs/dbraw/zinc/93/90/74/814939074.db2.gz VAGFBPBHCCGYHR-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP C[NH+](C)CCCCC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001148365680 814940901 /nfs/dbraw/zinc/94/09/01/814940901.db2.gz WGGILOSXHCFDJO-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001148571173 814950651 /nfs/dbraw/zinc/95/06/51/814950651.db2.gz YXFTWBHNAFURNZ-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001148577933 814951544 /nfs/dbraw/zinc/95/15/44/814951544.db2.gz KMDNFYIVKCIXMR-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001148570796 814951612 /nfs/dbraw/zinc/95/16/12/814951612.db2.gz MJWUDRAEDZCMPQ-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001148638816 814953960 /nfs/dbraw/zinc/95/39/60/814953960.db2.gz SVAZJQMAKIWKHS-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1cnn(C)c1 ZINC001148638094 814955371 /nfs/dbraw/zinc/95/53/71/814955371.db2.gz BXJYWBJTTIITKU-UHFFFAOYSA-N 2 0 267.377 -0.032 20 0 CBADRP C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001322757583 803935234 /nfs/dbraw/zinc/93/52/34/803935234.db2.gz PDDJUOWYFRAOKE-KJGYPYNMSA-N 3 0 250.390 -0.711 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CCC[NH2+][C@@H]1CCN(C)C1=O ZINC001322796800 803939669 /nfs/dbraw/zinc/93/96/69/803939669.db2.gz QTWXTIMMWCMEQP-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCO)C1CC1 ZINC001323048739 803970802 /nfs/dbraw/zinc/97/08/02/803970802.db2.gz UTYZDRNDXFFOLJ-OLZOCXBDSA-N 2 0 269.389 -0.053 20 0 CBADRP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1C[C@H](C)O ZINC001323359079 804015954 /nfs/dbraw/zinc/01/59/54/804015954.db2.gz ZBFGFOVCDVBINS-NWDGAFQWSA-N 2 0 257.378 -0.102 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCOCCO)CC1 ZINC001323519480 804036375 /nfs/dbraw/zinc/03/63/75/804036375.db2.gz NSDFQYIOEKEXSU-ZDUSSCGKSA-N 2 0 299.415 -0.282 20 0 CBADRP CC1CC[NH+](CC(=O)NCC2([NH2+]CCO)CC2)CC1 ZINC001323579893 804045071 /nfs/dbraw/zinc/04/50/71/804045071.db2.gz MHQITZBHYRWFKT-UHFFFAOYSA-N 2 0 269.389 -0.051 20 0 CBADRP O=C(NCC1([NH2+]CCOCCO)CC1)C12CC[NH+](CC1)C2 ZINC001323590786 804047684 /nfs/dbraw/zinc/04/76/84/804047684.db2.gz ASAIEFXWBULGMA-UHFFFAOYSA-N 2 0 297.399 -0.671 20 0 CBADRP O=C(N1CCC[C@H]1C[NH2+]CCO)C12CC[NH+](CC1)C2 ZINC001324261439 804128178 /nfs/dbraw/zinc/12/81/78/804128178.db2.gz QNMKYAGQXKAPKV-LBPRGKRZSA-N 2 0 267.373 -0.345 20 0 CBADRP CCN1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001325213180 804260758 /nfs/dbraw/zinc/26/07/58/804260758.db2.gz HIPMTULJGMYPHL-GHMZBOCLSA-N 2 0 255.362 -0.491 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001325345458 804277887 /nfs/dbraw/zinc/27/78/87/804277887.db2.gz FDIAPIYXEWPEHH-YNEHKIRRSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCC[NH3+] ZINC001325346221 804278201 /nfs/dbraw/zinc/27/82/01/804278201.db2.gz MBZAHXJTNHUVMC-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H]([NH2+]CCO)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001325441805 804288456 /nfs/dbraw/zinc/28/84/56/804288456.db2.gz ZKPHTMLVGMOMBR-NEPJUHHUSA-N 2 0 257.378 -0.243 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC001325696181 804306128 /nfs/dbraw/zinc/30/61/28/804306128.db2.gz QTTAMXWYUJMFQM-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2cccnc2)CC1 ZINC001325870983 804329219 /nfs/dbraw/zinc/32/92/19/804329219.db2.gz KJDYKWDIABLKQP-OAHLLOKOSA-N 2 0 278.400 -0.178 20 0 CBADRP Cn1cc(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cn1 ZINC001325870131 804329668 /nfs/dbraw/zinc/32/96/68/804329668.db2.gz BYXOWKNYOXDAIN-AWEZNQCLSA-N 2 0 281.404 -0.840 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCC2(O)CCC2)CC1 ZINC001325878943 804331200 /nfs/dbraw/zinc/33/12/00/804331200.db2.gz LGKLBXUMIALNRV-ZDUSSCGKSA-N 2 0 271.405 -0.511 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150715403 815040838 /nfs/dbraw/zinc/04/08/38/815040838.db2.gz KJJFPRPHBNAXFQ-KGLIPLIRSA-N 2 0 299.415 -0.330 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cc2ncccn2n1 ZINC001150691003 815040935 /nfs/dbraw/zinc/04/09/35/815040935.db2.gz PHRQYMFVWBFOOA-UHFFFAOYSA-N 2 0 275.316 -0.196 20 0 CBADRP CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049036 815051423 /nfs/dbraw/zinc/05/14/23/815051423.db2.gz HVGQUMNFQQEQDF-STQMWFEESA-N 2 0 298.431 -0.195 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151048353 815052569 /nfs/dbraw/zinc/05/25/69/815052569.db2.gz AGQFYFPZKLIPHJ-LLVKDONJSA-N 2 0 270.377 -0.830 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151048743 815052874 /nfs/dbraw/zinc/05/28/74/815052874.db2.gz FIWRDYAPMICYOS-LLVKDONJSA-N 2 0 280.376 -0.545 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001151065996 815055887 /nfs/dbraw/zinc/05/58/87/815055887.db2.gz PDCKWZBEDGVYHW-STQMWFEESA-N 2 0 296.415 -0.440 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@H]2CCOC2)C1 ZINC001151065846 815056298 /nfs/dbraw/zinc/05/62/98/815056298.db2.gz NPYDRZXNBYEXGR-VXGBXAGGSA-N 2 0 255.362 -0.320 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001151065218 815057207 /nfs/dbraw/zinc/05/72/07/815057207.db2.gz IMNWRGSEQCJGFY-NWDGAFQWSA-N 2 0 292.387 -0.577 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001151066779 815058059 /nfs/dbraw/zinc/05/80/59/815058059.db2.gz YPRWQHWEYMQNCY-QWRGUYRKSA-N 2 0 270.377 -0.879 20 0 CBADRP COc1ccc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)nn1 ZINC001151098109 815060779 /nfs/dbraw/zinc/06/07/79/815060779.db2.gz UVDZMDWCWCBXKW-UHFFFAOYSA-N 2 0 293.371 -0.213 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C[NH+]1CCCC1)C(=O)N(C)C ZINC001151101787 815061853 /nfs/dbraw/zinc/06/18/53/815061853.db2.gz WOPYGLXXPOVTTL-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001151100451 815062151 /nfs/dbraw/zinc/06/21/51/815062151.db2.gz DSYFWIZHUZJVFK-CQSZACIVSA-N 2 0 299.415 -0.016 20 0 CBADRP O=C(C[NH2+]CCNC(=O)C[NH+]1CCCC1)Nc1ccon1 ZINC001151100745 815062260 /nfs/dbraw/zinc/06/22/60/815062260.db2.gz GLZDOEJQQGFDRG-UHFFFAOYSA-N 2 0 295.343 -0.585 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151156500 815065195 /nfs/dbraw/zinc/06/51/95/815065195.db2.gz DRPZRJHXNJVDJS-NWDGAFQWSA-N 2 0 273.377 -0.959 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001072542238 805309119 /nfs/dbraw/zinc/30/91/19/805309119.db2.gz NMAMHJCWEGZKEP-LBPRGKRZSA-N 2 0 267.373 -0.393 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001072544342 805312360 /nfs/dbraw/zinc/31/23/60/805312360.db2.gz JPBIDVSSUHEPHR-VXGBXAGGSA-N 2 0 294.399 -0.511 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CCO)C3)CC[N@@H+]1C ZINC001072752498 805333195 /nfs/dbraw/zinc/33/31/95/805333195.db2.gz MTFNBZZWZLHYPH-CHWSQXEVSA-N 2 0 281.400 -0.147 20 0 CBADRP CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CCO)C2)[NH+](C)C ZINC001072851154 805341557 /nfs/dbraw/zinc/34/15/57/805341557.db2.gz LULPSSQHSNTHMR-GFCCVEGCSA-N 2 0 269.389 -0.147 20 0 CBADRP O=C(NC[C@H]1C[N@H+](CCO)CCCO1)C12CC[NH+](CC1)C2 ZINC001073861536 805422405 /nfs/dbraw/zinc/42/24/05/805422405.db2.gz DZWIOTNMFDCVKJ-ZDUSSCGKSA-N 2 0 297.399 -0.718 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001074562681 805458101 /nfs/dbraw/zinc/45/81/01/805458101.db2.gz DFAMWDWDTHICCU-GARJFASQSA-N 2 0 268.361 -0.855 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001074695288 805465389 /nfs/dbraw/zinc/46/53/89/805465389.db2.gz RXOXBXSLZJFMTJ-AVGNSLFASA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C)C(N)=O ZINC001075042031 805481339 /nfs/dbraw/zinc/48/13/39/805481339.db2.gz CCQDFZRKRGFAKX-SRVKXCTJSA-N 2 0 294.399 -0.465 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001075042190 805481907 /nfs/dbraw/zinc/48/19/07/805481907.db2.gz ATBGNOCDNRZXLX-AVGNSLFASA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)C[NH+]1CCCC1 ZINC001075110970 805483455 /nfs/dbraw/zinc/48/34/55/805483455.db2.gz UECITPXXMYJDJK-RWMBFGLXSA-N 2 0 294.399 -0.450 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCCO)C[C@H]21 ZINC001075619661 805518229 /nfs/dbraw/zinc/51/82/29/805518229.db2.gz KYNZMECJKKAYHU-BFHYXJOUSA-N 2 0 281.400 -0.004 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCO)C[C@H]21 ZINC001075619534 805518319 /nfs/dbraw/zinc/51/83/19/805518319.db2.gz HCWSKJZLNYOOLT-RWMBFGLXSA-N 2 0 267.373 -0.394 20 0 CBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001075798668 805534353 /nfs/dbraw/zinc/53/43/53/805534353.db2.gz JZAIBZOJJSOQIG-SOUVJXGZSA-N 2 0 293.411 -0.147 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2C[NH+](CCO)C[C@H]21 ZINC001076241485 805562383 /nfs/dbraw/zinc/56/23/83/805562383.db2.gz QHJLMTKXFOKNEZ-HZSPNIEDSA-N 2 0 281.400 -0.004 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21)[NH+](C)C ZINC001076254121 805563975 /nfs/dbraw/zinc/56/39/75/805563975.db2.gz BSKYFDOVIYGETD-RWMBFGLXSA-N 2 0 269.389 -0.148 20 0 CBADRP [NH3+]C1CCN(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)CC1 ZINC001160510942 815630972 /nfs/dbraw/zinc/63/09/72/815630972.db2.gz HXPZWRTZRNCOFM-ZMLRMANQSA-N 2 0 253.346 -0.297 20 0 CBADRP O=C(CCC[NH+]1CCCC1)NCC[NH2+][C@@H]1CCNC1=O ZINC001152222821 815111555 /nfs/dbraw/zinc/11/15/55/815111555.db2.gz CHUICHCPELLUQY-GFCCVEGCSA-N 2 0 282.388 -0.543 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152236613 815112557 /nfs/dbraw/zinc/11/25/57/815112557.db2.gz DKCQBVYZONUFLN-UHFFFAOYSA-N 2 0 292.383 -0.186 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340077 815116126 /nfs/dbraw/zinc/11/61/26/815116126.db2.gz FWWLPACXEXJALD-UHFFFAOYSA-N 2 0 294.403 -0.103 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)c1ccccc1C[NH+](C)C ZINC001152393403 815119423 /nfs/dbraw/zinc/11/94/23/815119423.db2.gz LOSFGDRHPDDCHP-UHFFFAOYSA-N 2 0 292.383 -0.186 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1cnn(C)c1 ZINC001152439929 815120714 /nfs/dbraw/zinc/12/07/14/815120714.db2.gz VRGCYCYLUGLMEA-UHFFFAOYSA-N 2 0 267.377 -0.034 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cnnn1C ZINC001152452223 815122842 /nfs/dbraw/zinc/12/28/42/815122842.db2.gz XBWNNZNHEFERPT-CYBMUJFWSA-N 2 0 294.403 -0.105 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001152446415 815123191 /nfs/dbraw/zinc/12/31/91/815123191.db2.gz YEHBPTSVDOWRQY-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COC ZINC001152452047 815123229 /nfs/dbraw/zinc/12/32/29/815123229.db2.gz QUZQOYLQATYMJR-QWHCGFSZSA-N 2 0 287.404 -0.426 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001152451954 815123372 /nfs/dbraw/zinc/12/33/72/815123372.db2.gz NMEDOOCWGLUMIY-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001152457707 815124129 /nfs/dbraw/zinc/12/41/29/815124129.db2.gz HJEAQAGHTKOJCG-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C[C@H](C)O ZINC001152458021 815124483 /nfs/dbraw/zinc/12/44/83/815124483.db2.gz KTYIVQPKKDLNTB-RYUDHWBXSA-N 2 0 257.378 -0.053 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+][C@@H]1CCNC1=O)[NH+]1CCCC1 ZINC001152471555 815124497 /nfs/dbraw/zinc/12/44/97/815124497.db2.gz MCNKPEDXJRRQEW-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152480591 815124594 /nfs/dbraw/zinc/12/45/94/815124594.db2.gz XMXVZTKZUICBIC-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)CCOCCNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001152947566 815142826 /nfs/dbraw/zinc/14/28/26/815142826.db2.gz WXJUJECXNZFOGF-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO)[NH+](C)C ZINC001153780154 815176677 /nfs/dbraw/zinc/17/66/77/815176677.db2.gz CBHYZYWBZXDDGD-YNEHKIRRSA-N 2 0 269.389 -0.006 20 0 CBADRP CC(C)(C)[NH+]1CCN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)CC1 ZINC001160580815 815641292 /nfs/dbraw/zinc/64/12/92/815641292.db2.gz CGCBWGUTUMGWMY-QWRGUYRKSA-N 2 0 255.362 -0.348 20 0 CBADRP C[C@@H](CN1CC[NH2+]CC1)Nc1ncc2c(n1)C[NH2+]C2 ZINC001154748937 815237823 /nfs/dbraw/zinc/23/78/23/815237823.db2.gz WUXREJHMGZNMRM-JTQLQIEISA-N 2 0 262.361 -0.215 20 0 CBADRP COC(=O)[C@@H](Nc1ncnc2c1CC[NH2+]C2)C(C)(C)[NH3+] ZINC001155368703 815279313 /nfs/dbraw/zinc/27/93/13/815279313.db2.gz KUNTXVUNVLSNRT-SNVBAGLBSA-N 2 0 279.344 -0.187 20 0 CBADRP c1nc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)nc2c1C[NH2+]CC2 ZINC001155482872 815286576 /nfs/dbraw/zinc/28/65/76/815286576.db2.gz JEFUKUQFXBJWFM-NQBHXWOUSA-N 2 0 275.356 -0.231 20 0 CBADRP c1nc2c(c(NC[C@]34C[NH2+]C[C@H]3COC4)n1)CC[NH2+]C2 ZINC001155509970 815288725 /nfs/dbraw/zinc/28/87/25/815288725.db2.gz NVKGPIKPRFCDRP-HZMBPMFUSA-N 2 0 275.356 -0.230 20 0 CBADRP c1nc(NC[C@@]23C[NH2+][C@@H](CO2)C3)nc2c1C[NH2+]CC2 ZINC001155542067 815291463 /nfs/dbraw/zinc/29/14/63/815291463.db2.gz ZGPVLKJKVRJSLP-ZWNOBZJWSA-N 2 0 261.329 -0.335 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccc3c(n2)CC[NH2+]C3)N1 ZINC001155569749 815293501 /nfs/dbraw/zinc/29/35/01/815293501.db2.gz IHIDBKWFPJGGFD-BXUZGUMPSA-N 2 0 273.340 -0.283 20 0 CBADRP Cc1nc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)cc(N(C)C)[nH+]1 ZINC001155571879 815295283 /nfs/dbraw/zinc/29/52/83/815295283.db2.gz VSIUNQROEXQYBA-TVQRCGJNSA-N 2 0 276.344 -0.159 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cc3c(nn2)CC[NH2+]C3)N1 ZINC001155574245 815296560 /nfs/dbraw/zinc/29/65/60/815296560.db2.gz FVTYRWHIKSKYEQ-GWCFXTLKSA-N 2 0 274.328 -0.888 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccn2ncnc2c1 ZINC001155590417 815298525 /nfs/dbraw/zinc/29/85/25/815298525.db2.gz SBIAUFHJZXYFBH-UHFFFAOYSA-N 2 0 275.316 -0.196 20 0 CBADRP Cn1cnnc1C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155790313 815310914 /nfs/dbraw/zinc/31/09/14/815310914.db2.gz JTBINCZXUSYHMI-LLVKDONJSA-N 2 0 280.376 -0.495 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155789197 815311101 /nfs/dbraw/zinc/31/11/01/815311101.db2.gz BIBGRSSJIKNMQV-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001155790305 815311173 /nfs/dbraw/zinc/31/11/73/815311173.db2.gz JRDKIVNLDDRKPN-LLVKDONJSA-N 2 0 291.417 -0.779 20 0 CBADRP Cn1ncc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001155789622 815311277 /nfs/dbraw/zinc/31/12/77/815311277.db2.gz FTAFSSGXZYLTNO-LBPRGKRZSA-N 2 0 280.376 -0.495 20 0 CBADRP CN(C(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001155790653 815311903 /nfs/dbraw/zinc/31/19/03/815311903.db2.gz LHCDNMJWWDFVQE-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155789189 815312067 /nfs/dbraw/zinc/31/20/67/815312067.db2.gz BGHRKFVJNYDHHW-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP CCn1nncc1C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155791018 815313447 /nfs/dbraw/zinc/31/34/47/815313447.db2.gz QSBPTHUPVLSGJY-CYBMUJFWSA-N 2 0 294.403 -0.012 20 0 CBADRP Cc1nnc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001155811355 815314084 /nfs/dbraw/zinc/31/40/84/815314084.db2.gz HTNHZUAYNPTCCT-LLVKDONJSA-N 2 0 280.376 -0.197 20 0 CBADRP CN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001155813662 815315155 /nfs/dbraw/zinc/31/51/55/815315155.db2.gz SXPQOGKVSUUCLN-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001155814095 815315233 /nfs/dbraw/zinc/31/52/33/815315233.db2.gz VGAVKFFHUSWQJJ-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(c1ccc2c(n1)CC[NH2+]C2)S(=O)(=O)CC[NH3+] ZINC001156231668 815348410 /nfs/dbraw/zinc/34/84/10/815348410.db2.gz LWKQZWYWYRNATR-UHFFFAOYSA-N 2 0 270.358 -0.548 20 0 CBADRP CN(c1ccc(N2CC[NH2+]CC2)cn1)S(=O)(=O)CC[NH3+] ZINC001156238296 815349513 /nfs/dbraw/zinc/34/95/13/815349513.db2.gz HNTYQALFIAXAAD-UHFFFAOYSA-N 2 0 299.400 -0.784 20 0 CBADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001086086731 810241549 /nfs/dbraw/zinc/24/15/49/810241549.db2.gz CZLNCSPBDKAOHE-KWCYVHTRSA-N 2 0 281.400 -0.195 20 0 CBADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001086093229 810242052 /nfs/dbraw/zinc/24/20/52/810242052.db2.gz FGWGCQOYSMELLK-RFQIPJPRSA-N 2 0 297.399 -0.674 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001086270928 810253188 /nfs/dbraw/zinc/25/31/88/810253188.db2.gz ZLMNRZXPYOJWNS-FIQHERPVSA-N 2 0 282.388 -0.704 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001086270929 810253629 /nfs/dbraw/zinc/25/36/29/810253629.db2.gz ZLMNRZXPYOJWNS-KKOKHZNYSA-N 2 0 282.388 -0.704 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001086272212 810253703 /nfs/dbraw/zinc/25/37/03/810253703.db2.gz YCDKMSRSIHUXDH-NDBYEHHHSA-N 2 0 294.399 -0.689 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086278508 810255152 /nfs/dbraw/zinc/25/51/52/810255152.db2.gz ZDHLEDKXORRMJG-XQQFMLRXSA-N 2 0 296.415 -0.170 20 0 CBADRP CN1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCF)C2)C1 ZINC001086331624 810261234 /nfs/dbraw/zinc/26/12/34/810261234.db2.gz BBBCKFBOLRNACE-IJLUTSLNSA-N 2 0 273.352 -0.229 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086551868 810279162 /nfs/dbraw/zinc/27/91/62/810279162.db2.gz OCUYRVLWDUCHTA-RVMXOQNASA-N 2 0 269.389 -0.197 20 0 CBADRP CCN(CC(N)=O)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409738 815358290 /nfs/dbraw/zinc/35/82/90/815358290.db2.gz WQVFPPILSSBUDW-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCO)CC[C@@H]2C1 ZINC001087908504 810312682 /nfs/dbraw/zinc/31/26/82/810312682.db2.gz DZVOXPFKEFEIGA-RDBSUJKOSA-N 2 0 281.400 -0.147 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CC(N)=O)C1 ZINC001088279317 810325222 /nfs/dbraw/zinc/32/52/22/810325222.db2.gz PWLKTJBHFBMGSU-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CCO ZINC001088571774 810346303 /nfs/dbraw/zinc/34/63/03/810346303.db2.gz MXPSQTVORMSBBP-XBFCOCLRSA-N 2 0 281.400 -0.101 20 0 CBADRP O=C(N[C@H]1CC[N@@H+](CCO)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001090390510 810488822 /nfs/dbraw/zinc/48/88/22/810488822.db2.gz HUDNCEYWCIRGPT-QWHCGFSZSA-N 2 0 297.399 -0.842 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090536530 810517341 /nfs/dbraw/zinc/51/73/41/810517341.db2.gz FVRPQQCQOFIKMR-KBPBESRZSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@@H]2O)CC1 ZINC001090539502 810521018 /nfs/dbraw/zinc/52/10/18/810521018.db2.gz YKLARNPZTKUAKN-KBPBESRZSA-N 2 0 299.415 -0.738 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCO)C[C@H]2O)C1 ZINC001090572667 810527658 /nfs/dbraw/zinc/52/76/58/810527658.db2.gz HVHOQFBZOBJXIK-QWHCGFSZSA-N 2 0 299.415 -0.738 20 0 CBADRP CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730858 810558448 /nfs/dbraw/zinc/55/84/48/810558448.db2.gz OXMZOJMCZWMVHX-NEPJUHHUSA-N 2 0 267.373 -0.347 20 0 CBADRP CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730866 810558980 /nfs/dbraw/zinc/55/89/80/810558980.db2.gz OXMZOJMCZWMVHX-VXGBXAGGSA-N 2 0 267.373 -0.347 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](CCCF)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001090729917 810559353 /nfs/dbraw/zinc/55/93/53/810559353.db2.gz CFRIIQJDTDORSA-CHWSQXEVSA-N 2 0 299.390 -0.007 20 0 CBADRP CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730862 810560515 /nfs/dbraw/zinc/56/05/15/810560515.db2.gz OXMZOJMCZWMVHX-NWDGAFQWSA-N 2 0 267.373 -0.347 20 0 CBADRP CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730864 810560699 /nfs/dbraw/zinc/56/06/99/810560699.db2.gz OXMZOJMCZWMVHX-RYUDHWBXSA-N 2 0 267.373 -0.347 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCCF)C[C@H]1O ZINC001090817845 810571503 /nfs/dbraw/zinc/57/15/03/810571503.db2.gz SWWPYCMBKLOCHL-CHWSQXEVSA-N 2 0 287.379 -0.007 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CCO)C2)CC[N@@H+]1C ZINC001091037681 810586504 /nfs/dbraw/zinc/58/65/04/810586504.db2.gz UKQJWILGGBSRBA-IKWCTNDRSA-N 2 0 269.389 -0.197 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001091027187 810586714 /nfs/dbraw/zinc/58/67/14/810586714.db2.gz ZPZSEYZDXXCHPW-BPCQOVAHSA-N 2 0 296.415 -0.171 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCO)C[C@@]2(C)C1 ZINC001091544190 810611202 /nfs/dbraw/zinc/61/12/02/810611202.db2.gz WEUOJLMRCDVOCQ-NFAWXSAZSA-N 2 0 281.400 -0.147 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCO)C[C@@]2(C)C1 ZINC001091544188 810611583 /nfs/dbraw/zinc/61/15/83/810611583.db2.gz WEUOJLMRCDVOCQ-IPYPFGDCSA-N 2 0 281.400 -0.147 20 0 CBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092505044 810631142 /nfs/dbraw/zinc/63/11/42/810631142.db2.gz FTAKNHYUJDOUEC-IJLUTSLNSA-N 2 0 282.388 -0.750 20 0 CBADRP CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001157083568 815404131 /nfs/dbraw/zinc/40/41/31/815404131.db2.gz VUTUPNSNDSFOGL-DCAQKATOSA-N 2 0 280.328 -0.263 20 0 CBADRP [NH3+]C1CCN(c2cccc(NC(CO)(CO)CO)[nH+]2)CC1 ZINC001157152801 815410639 /nfs/dbraw/zinc/41/06/39/815410639.db2.gz SKNQXTSTZYLACS-UHFFFAOYSA-N 2 0 296.371 -0.863 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001099973614 810981750 /nfs/dbraw/zinc/98/17/50/810981750.db2.gz GGXNJOUVKHVCJF-OLZOCXBDSA-N 2 0 287.404 -0.738 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001099986966 810985180 /nfs/dbraw/zinc/98/51/80/810985180.db2.gz RTDYQOSLTTWFOM-QWHCGFSZSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001099986964 810985525 /nfs/dbraw/zinc/98/55/25/810985525.db2.gz RTDYQOSLTTWFOM-CHWSQXEVSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CC)C[C@@H]1O ZINC001100041769 811001530 /nfs/dbraw/zinc/00/15/30/811001530.db2.gz NZAGXPXCCKCXSV-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100042119 811004224 /nfs/dbraw/zinc/00/42/24/811004224.db2.gz UBATWEDIAYTSGO-QWHCGFSZSA-N 2 0 287.404 -0.738 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100073476 811015696 /nfs/dbraw/zinc/01/56/96/811015696.db2.gz CQQBGEBYOCXBOG-STQMWFEESA-N 2 0 287.404 -0.476 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCOC)C[C@H]1O ZINC001100081333 811018063 /nfs/dbraw/zinc/01/80/63/811018063.db2.gz QLGPNZQEPYVRDQ-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132579 811029654 /nfs/dbraw/zinc/02/96/54/811029654.db2.gz WDFPIKNSMKBEQF-CHWSQXEVSA-N 2 0 287.404 -0.476 20 0 CBADRP C[C@@H]([NH2+]C1CC(CNC(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC001100410697 811057135 /nfs/dbraw/zinc/05/71/35/811057135.db2.gz ITPHIHPJOXGWTJ-VOMCLLRMSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001100678471 811071221 /nfs/dbraw/zinc/07/12/21/811071221.db2.gz MAWPCUJPWCTPFA-HIFPTAJRSA-N 2 0 269.389 -0.195 20 0 CBADRP CC[C@@H](C(=O)NCC1CC([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001100683943 811073751 /nfs/dbraw/zinc/07/37/51/811073751.db2.gz ZIPXCGBXTMSNDK-ILDUYXDCSA-N 2 0 270.377 -0.704 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H]([NH3+])C1CC1 ZINC001157335104 815424444 /nfs/dbraw/zinc/42/44/44/815424444.db2.gz DNCYQMRXPZUQMN-MNOVXSKESA-N 2 0 270.377 -0.526 20 0 CBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001100871361 811083465 /nfs/dbraw/zinc/08/34/65/811083465.db2.gz OFOOUIZAQGVNKF-UHFFFAOYSA-N 2 0 294.399 -0.687 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]CC(=O)NC)C1 ZINC001100900207 811085601 /nfs/dbraw/zinc/08/56/01/811085601.db2.gz VUGFYXZALYENKP-UHFFFAOYSA-N 2 0 284.404 -0.441 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC([NH2+]CCOCCO)C2)C1 ZINC001100980828 811089197 /nfs/dbraw/zinc/08/91/97/811089197.db2.gz HVUGUXAWTWLAMD-MOKVOYLWSA-N 2 0 299.415 -0.569 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100983945 811089610 /nfs/dbraw/zinc/08/96/10/811089610.db2.gz SXHDTOJPKZXPEU-PNESKVBLSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]([NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001100984975 811089639 /nfs/dbraw/zinc/08/96/39/811089639.db2.gz WQQIYFLGPXZQKI-UNXYVOJBSA-N 2 0 282.388 -0.560 20 0 CBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001100981102 811089812 /nfs/dbraw/zinc/08/98/12/811089812.db2.gz VRCABLAWNXJLEG-CXQJBGSLSA-N 2 0 282.388 -0.832 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]CCCO)C2)C1 ZINC001100981039 811089897 /nfs/dbraw/zinc/08/98/97/811089897.db2.gz RVTGRBNTYCNXCB-OTTFEQOBSA-N 2 0 269.389 -0.195 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)CCCC[NH3+] ZINC001157323636 815423376 /nfs/dbraw/zinc/42/33/76/815423376.db2.gz LQRMXMBMOVSGCS-JTQLQIEISA-N 2 0 258.366 -0.525 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC001157324336 815424201 /nfs/dbraw/zinc/42/42/01/815424201.db2.gz WHXCKVGYUYNFPJ-COPLHBTASA-N 2 0 282.388 -0.654 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC001157324338 815424255 /nfs/dbraw/zinc/42/42/55/815424255.db2.gz WHXCKVGYUYNFPJ-SUNKGSAMSA-N 2 0 282.388 -0.654 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C)[NH+](C)C ZINC001102377716 811152908 /nfs/dbraw/zinc/15/29/08/811152908.db2.gz DVDDUQZKFPPTST-UTUOFQBUSA-N 2 0 284.404 -0.504 20 0 CBADRP CNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320779 811153787 /nfs/dbraw/zinc/15/37/87/811153787.db2.gz SRPJTDHMJINISH-FRRDWIJNSA-N 2 0 298.431 -0.243 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C1([NH3+])CC(F)C1 ZINC001157336323 815425344 /nfs/dbraw/zinc/42/53/44/815425344.db2.gz NAWWWGKWYFFOKG-XEVUQIKYSA-N 2 0 274.340 -0.824 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001102525061 811157966 /nfs/dbraw/zinc/15/79/66/811157966.db2.gz JVEJERXSXBKYSR-VXGBXAGGSA-N 2 0 284.404 -0.502 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC)C[C@H]1C ZINC001102524416 811159525 /nfs/dbraw/zinc/15/95/25/811159525.db2.gz DODSJWKIZDZJEC-CHWSQXEVSA-N 2 0 298.431 -0.242 20 0 CBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579753 811160109 /nfs/dbraw/zinc/16/01/09/811160109.db2.gz NXSXNGNOAXGKIF-VXGBXAGGSA-N 2 0 282.388 -0.748 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1c[nH+]ccc1N ZINC001157344187 815425756 /nfs/dbraw/zinc/42/57/56/815425756.db2.gz HHUVKGSITAKLCN-NSHDSACASA-N 2 0 279.344 -0.532 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC001157344719 815425913 /nfs/dbraw/zinc/42/59/13/815425913.db2.gz URCKRPXTVHBCLG-MNOVXSKESA-N 2 0 284.404 -0.408 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398339 811182575 /nfs/dbraw/zinc/18/25/75/811182575.db2.gz OPTDUWYNOSNNFM-FRRDWIJNSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCO ZINC001105945275 811282078 /nfs/dbraw/zinc/28/20/78/811282078.db2.gz RSPPWVLTTYQWDO-UPJWGTAASA-N 2 0 269.389 -0.243 20 0 CBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2CC[NH2+]2)CC1 ZINC001157448751 815435338 /nfs/dbraw/zinc/43/53/38/815435338.db2.gz IJEKSKPITZDSRL-JTQLQIEISA-N 2 0 269.345 -0.379 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106597736 811311174 /nfs/dbraw/zinc/31/11/74/811311174.db2.gz KYQLZCNCLQBLQS-CHWSQXEVSA-N 2 0 298.431 -0.242 20 0 CBADRP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001106627004 811312633 /nfs/dbraw/zinc/31/26/33/811312633.db2.gz RBIDGDSVZBOMIC-JHJVBQTASA-N 2 0 298.431 -0.114 20 0 CBADRP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001106627005 811313351 /nfs/dbraw/zinc/31/33/51/811313351.db2.gz RBIDGDSVZBOMIC-UPJWGTAASA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001106626368 811313405 /nfs/dbraw/zinc/31/34/05/811313405.db2.gz DXDVDLLDUNRIHJ-UPJWGTAASA-N 2 0 296.415 -0.489 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106627137 811313679 /nfs/dbraw/zinc/31/36/79/811313679.db2.gz UOHNVYCZOYLPNB-JHJVBQTASA-N 2 0 298.431 -0.243 20 0 CBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CC(N)=O ZINC001106881350 811318092 /nfs/dbraw/zinc/31/80/92/811318092.db2.gz CIZLIZDHFNACOE-VXGBXAGGSA-N 2 0 294.399 -0.748 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(N)=O)[C@H](C)C1 ZINC001106908393 811318630 /nfs/dbraw/zinc/31/86/30/811318630.db2.gz YKKVMASFTQASHG-FRRDWIJNSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCO ZINC001106981693 811321019 /nfs/dbraw/zinc/32/10/19/811321019.db2.gz ZISAZMNNUGXPLR-FRRDWIJNSA-N 2 0 269.389 -0.386 20 0 CBADRP CCCN(CCOC)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157498257 815439736 /nfs/dbraw/zinc/43/97/36/815439736.db2.gz YMGAHHVFSBWCOP-ZDUSSCGKSA-N 2 0 286.420 -0.378 20 0 CBADRP CN(CC(F)(F)F)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157519286 815441446 /nfs/dbraw/zinc/44/14/46/815441446.db2.gz MKAAJINOTWZEHI-ZETCQYMHSA-N 2 0 251.252 -0.184 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@H]2C[NH2+]Cc3ccnn3C2)C[C@H]1F ZINC001157532674 815442234 /nfs/dbraw/zinc/44/22/34/815442234.db2.gz XDIWTVKIBKYHES-GDPRMGEGSA-N 2 0 267.308 -0.890 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)C[C@H]1F ZINC001157536400 815442313 /nfs/dbraw/zinc/44/23/13/815442313.db2.gz LISMQSIUZOZVAP-YUTCNCBUSA-N 3 0 298.406 -0.042 20 0 CBADRP [NH3+][C@H]1CN(C(=O)C2=NO[C@@]3(CC[NH2+]C3)C2)C[C@H]1F ZINC001157535952 815442530 /nfs/dbraw/zinc/44/25/30/815442530.db2.gz FUWJVVBVNYGXKQ-FYBVGQRMSA-N 2 0 256.281 -0.998 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C[C@H]1F ZINC001157536459 815442819 /nfs/dbraw/zinc/44/28/19/815442819.db2.gz NHXDPUDJJAEUCS-XUTVFYLZSA-N 2 0 269.242 -0.108 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@@H]2CC[C@@]3(C2)C[NH2+]CCO3)C[C@H]1F ZINC001157537044 815444153 /nfs/dbraw/zinc/44/41/53/815444153.db2.gz TXXUNPPBVNHDQO-HNCHTBHHSA-N 2 0 271.336 -0.347 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001157632521 815449509 /nfs/dbraw/zinc/44/95/09/815449509.db2.gz CSAVRPXUMZMGGI-JTQLQIEISA-N 3 0 252.362 -0.580 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C1 ZINC001157633181 815449072 /nfs/dbraw/zinc/44/90/72/815449072.db2.gz KINUHEYZEPLRCI-VXGBXAGGSA-N 2 0 266.389 -0.380 20 0 CBADRP CC1([NH3+])CN(C(=O)C2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC001157650903 815450613 /nfs/dbraw/zinc/45/06/13/815450613.db2.gz HAYUBBNUGBZLRS-LBPRGKRZSA-N 2 0 266.389 -0.380 20 0 CBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC([NH+](C)C)C2)COC1(C)C ZINC001157689221 815452479 /nfs/dbraw/zinc/45/24/79/815452479.db2.gz PDYOQQNWUBQRRN-ONGXEEELSA-N 2 0 298.387 -0.931 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC(F)(C2CC2)C1 ZINC001157702640 815454011 /nfs/dbraw/zinc/45/40/11/815454011.db2.gz ARZMZPDZWDLEMJ-JTQLQIEISA-N 2 0 253.321 -0.244 20 0 CBADRP COC(=O)[C@@]1(F)CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001157715888 815455940 /nfs/dbraw/zinc/45/59/40/815455940.db2.gz KMTKHMKHWDKONF-LDYMZIIASA-N 2 0 261.297 -0.834 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@H](F)C[C@H](CO)C1 ZINC001157728749 815456601 /nfs/dbraw/zinc/45/66/01/815456601.db2.gz AGZUFNRJLLOAEZ-AEJSXWLSSA-N 2 0 279.381 -0.816 20 0 CBADRP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCO)C2 ZINC001111939628 811559616 /nfs/dbraw/zinc/55/96/16/811559616.db2.gz JZONVYVPYHYPGP-ZFWWWQNUSA-N 2 0 299.415 -0.472 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@H](F)C(=O)C1 ZINC001157730733 815458156 /nfs/dbraw/zinc/45/81/56/815458156.db2.gz RPBJMZYLGNAOTE-UWVGGRQHSA-N 2 0 269.320 -0.675 20 0 CBADRP N[C@@]1(C(=O)N2CCC[C@@](F)(C[NH3+])CC2)CCC[NH2+]C1 ZINC001157747044 815461718 /nfs/dbraw/zinc/46/17/18/815461718.db2.gz QRWYLVTWXDQGHX-STQMWFEESA-N 2 0 272.368 -0.253 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC001157739125 815460488 /nfs/dbraw/zinc/46/04/88/815460488.db2.gz FROFNUUORYLKPQ-JBLDHEPKSA-N 2 0 259.325 -0.611 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)CC1 ZINC001157741010 815460617 /nfs/dbraw/zinc/46/06/17/815460617.db2.gz RWXGBOTZPNTSSJ-OXHZDVMGSA-N 2 0 284.379 -0.112 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157738905 815460656 /nfs/dbraw/zinc/46/06/56/815460656.db2.gz DFUASEQNBLICAP-CMPLNLGQSA-N 2 0 275.324 -0.444 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157799331 815468198 /nfs/dbraw/zinc/46/81/98/815468198.db2.gz KOSAGVNLYQTLNY-UTLUCORTSA-N 2 0 257.334 -0.537 20 0 CBADRP C[NH+](C)CCOCC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001113545465 811646989 /nfs/dbraw/zinc/64/69/89/811646989.db2.gz PWPTTWZOBBGLHL-CQSZACIVSA-N 2 0 299.415 -0.255 20 0 CBADRP C[C@@H]1CCN(C(=O)C2=NO[C@@H]3C[NH2+]C[C@H]23)C[C@@H]1[NH3+] ZINC001157799397 815468235 /nfs/dbraw/zinc/46/82/35/815468235.db2.gz MHXBMBHNWCQVLI-XFWSIPNHSA-N 2 0 252.318 -0.844 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C[C@@H]1[NH3+] ZINC001157798966 815468247 /nfs/dbraw/zinc/46/82/47/815468247.db2.gz IJFWZFWZPBOJRO-WTPMCQDGSA-N 2 0 252.362 -0.868 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]3CCO[C@H]32)C[C@@H]1[NH3+] ZINC001157810310 815468260 /nfs/dbraw/zinc/46/82/60/815468260.db2.gz LGXAJGHTLPCQDQ-NJMOYASZSA-N 2 0 267.373 -0.193 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001157804865 815468299 /nfs/dbraw/zinc/46/82/99/815468299.db2.gz YWTHOYSCSGELQS-ADEWGFFLSA-N 3 0 254.378 -0.491 20 0 CBADRP C[C@@H]1CCN(C(=O)C2=NO[C@]3(CC[NH2+]C3)C2)C[C@@H]1[NH3+] ZINC001157800251 815468727 /nfs/dbraw/zinc/46/87/27/815468727.db2.gz ZYQYCWXBMCPCQQ-GBIKHYSHSA-N 2 0 266.345 -0.310 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]3CCO[C@@H]32)C[C@@H]1[NH3+] ZINC001157810302 815468817 /nfs/dbraw/zinc/46/88/17/815468817.db2.gz LGXAJGHTLPCQDQ-KVSVUVNWSA-N 2 0 267.373 -0.193 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCOCCO)C[C@H]21 ZINC001114042101 811711524 /nfs/dbraw/zinc/71/15/24/811711524.db2.gz WPNCKOIAACCVTE-RFQIPJPRSA-N 2 0 297.399 -0.864 20 0 CBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157810707 815469767 /nfs/dbraw/zinc/46/97/67/815469767.db2.gz QXACARKACQCVRT-WXHSDQCUSA-N 2 0 284.404 -0.184 20 0 CBADRP C[C@@H]1CCN(C(=O)c2cnc3n2CC[NH2+]CC3)C[C@@H]1[NH3+] ZINC001157828952 815469878 /nfs/dbraw/zinc/46/98/78/815469878.db2.gz KIQZUDSLIGTBRU-MNOVXSKESA-N 2 0 277.372 -0.162 20 0 CBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001157840611 815471102 /nfs/dbraw/zinc/47/11/02/815471102.db2.gz BZRZSOVEKPHAFJ-UTUOFQBUSA-N 2 0 282.388 -0.478 20 0 CBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC001157843532 815471130 /nfs/dbraw/zinc/47/11/30/815471130.db2.gz SGBLJIWNQVJYRZ-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)CCC1 ZINC001114406957 811747004 /nfs/dbraw/zinc/74/70/04/811747004.db2.gz OBKAMQLHMQQRTE-GDNZZTSVSA-N 2 0 267.373 -0.491 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCCC(=O)[C@@H](F)C1 ZINC001157856991 815474717 /nfs/dbraw/zinc/47/47/17/815474717.db2.gz YPOQBTCQPWNMOO-UWVGGRQHSA-N 2 0 269.320 -0.675 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCCC(=O)[C@H](F)C1 ZINC001157856503 815473492 /nfs/dbraw/zinc/47/34/92/815473492.db2.gz UXENWXPRESNHMF-ZJUUUORDSA-N 2 0 259.325 -0.028 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC001157856508 815473718 /nfs/dbraw/zinc/47/37/18/815473718.db2.gz UZXVLQHZOUPZBS-OUAUKWLOSA-N 2 0 261.341 -0.365 20 0 CBADRP C[C@@H]1CC[C@H](CO)CN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001157856975 815474826 /nfs/dbraw/zinc/47/48/26/815474826.db2.gz YKYBTEKRVCOGAD-MDZLAQPJSA-N 2 0 269.389 -0.067 20 0 CBADRP C[C@H]1CC[C@@H](CO)CN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001157856963 815474845 /nfs/dbraw/zinc/47/48/45/815474845.db2.gz YEJWMNJNSXPETI-AXFHLTTASA-N 2 0 275.418 -0.375 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCO ZINC001157899114 815477646 /nfs/dbraw/zinc/47/76/46/815477646.db2.gz KAEKLHWCBORJGH-LBPRGKRZSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@]1(CO)CCCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001157901035 815478657 /nfs/dbraw/zinc/47/86/57/815478657.db2.gz VTHRQQNTHMPUMZ-JSGCOSHPSA-N 2 0 281.400 -0.194 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157900877 815478788 /nfs/dbraw/zinc/47/87/88/815478788.db2.gz UGSPQJGGYXCQFB-IUCAKERBSA-N 2 0 297.371 -0.518 20 0 CBADRP C[C@H]1CC[C@@H](CO)N1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001157914080 815481800 /nfs/dbraw/zinc/48/18/00/815481800.db2.gz GNQMBKPYGVJRMU-DLOVCJGASA-N 2 0 255.362 -0.315 20 0 CBADRP C[NH+]1CCN(C(=[NH2+])Nc2nccc(C(N)=O)n2)CC1 ZINC001157914857 815482170 /nfs/dbraw/zinc/48/21/70/815482170.db2.gz NKYOEPVKHNPISS-UHFFFAOYSA-N 2 0 263.305 -0.830 20 0 CBADRP CN1CCN(C(=[NH2+])Nc2cc(C3C[NH2+]C3)ncn2)CC1 ZINC001157920215 815482195 /nfs/dbraw/zinc/48/21/95/815482195.db2.gz KDWIYAOPNOQSOF-UHFFFAOYSA-N 2 0 275.360 -0.243 20 0 CBADRP COC[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157922180 815482814 /nfs/dbraw/zinc/48/28/14/815482814.db2.gz GUKMLNIFRVUGQS-UONOGXRCSA-N 2 0 298.431 -0.236 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157934555 815486923 /nfs/dbraw/zinc/48/69/23/815486923.db2.gz LVLQVAXUKHZRNG-GRYCIOLGSA-N 2 0 273.377 -0.966 20 0 CBADRP C[C@@]1(CO)CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC[C@H]1O ZINC001157944569 815491137 /nfs/dbraw/zinc/49/11/37/815491137.db2.gz JOPAVQFJKDKAAA-SCRDCRAPSA-N 2 0 287.404 -0.575 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@H](O)[C@](C)(CO)C1 ZINC001157948000 815492140 /nfs/dbraw/zinc/49/21/40/815492140.db2.gz YPGPYKFGTANYOJ-OBJOEFQTSA-N 2 0 287.404 -0.705 20 0 CBADRP O=C([C@H]1C[NH2+]CCN1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157968264 815493529 /nfs/dbraw/zinc/49/35/29/815493529.db2.gz GWTCUTFNRLNTBK-ZIAGYGMSSA-N 2 0 274.368 -0.279 20 0 CBADRP C[C@]1(CO)CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC[C@@H]1O ZINC001157944587 815490851 /nfs/dbraw/zinc/49/08/51/815490851.db2.gz JOPAVQFJKDKAAA-SGMGOOAPSA-N 2 0 287.404 -0.575 20 0 CBADRP CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001158016680 815499321 /nfs/dbraw/zinc/49/93/21/815499321.db2.gz YWHCTWHDTMDHKZ-ZJUUUORDSA-N 2 0 261.366 -0.967 20 0 CBADRP O=C(NCCC[NH2+]CCO)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158036918 815500510 /nfs/dbraw/zinc/50/05/10/815500510.db2.gz GMOQETDOJCIYMR-QWHCGFSZSA-N 2 0 269.389 -0.051 20 0 CBADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]([NH3+])CN1)CC2 ZINC001158083277 815503116 /nfs/dbraw/zinc/50/31/16/815503116.db2.gz ZYXWEOZCULHTHZ-KOLCDFICSA-N 2 0 252.362 -0.595 20 0 CBADRP [NH3+]Cc1nnnn1-c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001158080121 815503141 /nfs/dbraw/zinc/50/31/41/815503141.db2.gz GDFRTALOBSCSIV-UHFFFAOYSA-N 2 0 276.304 -0.958 20 0 CBADRP CC1(C)C[NH2+][C@](C)(C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)C1 ZINC001158091507 815503995 /nfs/dbraw/zinc/50/39/95/815503995.db2.gz DNFUIRQPJRAPGZ-GJZGRUSLSA-N 2 0 294.399 -0.545 20 0 CBADRP C[C@H]1CC[NH2+][C@@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC001158166571 815508401 /nfs/dbraw/zinc/50/84/01/815508401.db2.gz AEEPSAWSQMVHGR-UMSGYPCISA-N 2 0 267.373 -0.179 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158160448 815506810 /nfs/dbraw/zinc/50/68/10/815506810.db2.gz KANFGABHFURCBT-ZDUSSCGKSA-N 3 0 254.378 -0.331 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001114773998 812159235 /nfs/dbraw/zinc/15/92/35/812159235.db2.gz GJHJSGWDUKMYFQ-JYAVWHMHSA-N 2 0 294.399 -0.783 20 0 CBADRP Cn1cncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114775007 812159370 /nfs/dbraw/zinc/15/93/70/812159370.db2.gz YGZFDQMWZFLWER-NHAGDIPZSA-N 2 0 291.399 -0.082 20 0 CBADRP CN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)C1=O ZINC001114778090 812160384 /nfs/dbraw/zinc/16/03/84/812160384.db2.gz FHMKVRFMJGLNRH-KZVDOYCCSA-N 2 0 294.399 -0.785 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158169765 815508346 /nfs/dbraw/zinc/50/83/46/815508346.db2.gz UNKBJIHXOBSWET-UHFFFAOYSA-N 3 0 254.378 -0.331 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114991990 812171545 /nfs/dbraw/zinc/17/15/45/812171545.db2.gz MXSHSJFAVULJCH-KZVDOYCCSA-N 2 0 294.399 -0.737 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC001114998196 812172206 /nfs/dbraw/zinc/17/22/06/812172206.db2.gz PUFQEBSWJLUBPI-NMKXLXIOSA-N 2 0 269.389 -0.245 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCC2(COC2)C1)C1CC[NH2+]CC1 ZINC001158167977 815508025 /nfs/dbraw/zinc/50/80/25/815508025.db2.gz JJZPCYGSHFRTPA-LLVKDONJSA-N 2 0 253.346 -0.438 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158196068 815512040 /nfs/dbraw/zinc/51/20/40/815512040.db2.gz IXWIIOXVWHBEMT-KBPBESRZSA-N 2 0 299.415 -0.569 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21 ZINC001115080951 812178316 /nfs/dbraw/zinc/17/83/16/812178316.db2.gz IKCSZEPNLXDQNM-IMRBUKKESA-N 2 0 269.389 -0.243 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC001115081845 812178632 /nfs/dbraw/zinc/17/86/32/812178632.db2.gz ZBYUXILHRNATCL-PJXYFTJBSA-N 2 0 255.362 -0.633 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)CC[NH2+]C[C@H]1O ZINC001158198806 815512313 /nfs/dbraw/zinc/51/23/13/815512313.db2.gz JIJIUVXZEOKSSZ-SBFPOUOMSA-N 2 0 253.346 -0.690 20 0 CBADRP O=C(NCCC[NH2+]CCCO)[C@H]1C[NH+]2CCC1CC2 ZINC001158202148 815512751 /nfs/dbraw/zinc/51/27/51/815512751.db2.gz DOQGYKBNDGLNLV-ZDUSSCGKSA-N 2 0 269.389 -0.194 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001158202409 815512923 /nfs/dbraw/zinc/51/29/23/815512923.db2.gz SWNVCFFKFOFMKQ-CHWSQXEVSA-N 2 0 296.415 -0.312 20 0 CBADRP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001115304193 812191291 /nfs/dbraw/zinc/19/12/91/812191291.db2.gz PFAJCTCHGVEXND-NMKXLXIOSA-N 2 0 269.389 -0.246 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21)C1CC[NH2+]CC1 ZINC001158208053 815513797 /nfs/dbraw/zinc/51/37/97/815513797.db2.gz JSEMEQLYCNOQME-TUAOUCFPSA-N 3 0 252.362 -0.724 20 0 CBADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167929 815508428 /nfs/dbraw/zinc/50/84/28/815508428.db2.gz PIOJBQGSSYVBEW-FVCCEPFGSA-N 2 0 267.373 -0.179 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168304 815508452 /nfs/dbraw/zinc/50/84/52/815508452.db2.gz SUUVOQKSWUEGCJ-DDHJBXDOSA-N 2 0 253.346 -0.439 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC2(COC2)C1 ZINC001158167657 815508490 /nfs/dbraw/zinc/50/84/90/815508490.db2.gz IWVNGDMCACBERT-VIFPVBQESA-N 2 0 259.375 -0.746 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170230 815509191 /nfs/dbraw/zinc/50/91/91/815509191.db2.gz XMAYHOZIJXYBJB-LBPRGKRZSA-N 2 0 294.399 -0.319 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001158186355 815510925 /nfs/dbraw/zinc/51/09/25/815510925.db2.gz FYNKPQNYFPQLOS-KCMHTVFYSA-N 2 0 265.357 -0.297 20 0 CBADRP O=C([C@@H]1C[NH2+]C[C@H]2CCO[C@H]21)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158215426 815514783 /nfs/dbraw/zinc/51/47/83/815514783.db2.gz MUELONQAPQBYOE-UJPOAAIJSA-N 2 0 265.357 -0.426 20 0 CBADRP C[NH2+][C@H]1CCCN(CC(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001158214955 815514841 /nfs/dbraw/zinc/51/48/41/815514841.db2.gz GNQKCDTZMBZHGR-RWMBFGLXSA-N 2 0 266.389 -0.367 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158215514 815515147 /nfs/dbraw/zinc/51/51/47/815515147.db2.gz PNASDKOWSBMTTE-SDDRHHMPSA-N 3 0 254.378 -0.204 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC2(C1)CCCO2 ZINC001158241329 815516166 /nfs/dbraw/zinc/51/61/66/815516166.db2.gz UQBYOBNAEGPNSS-LBPRGKRZSA-N 2 0 282.388 -0.872 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001158328258 815520345 /nfs/dbraw/zinc/52/03/45/815520345.db2.gz XJJHNOHRNSWERW-MMWGEVLESA-N 2 0 253.321 -0.388 20 0 CBADRP [NH3+]Cc1cc(N2CCC(N3CC[C@H]([NH3+])C3)CC2)ncn1 ZINC001158259290 815517705 /nfs/dbraw/zinc/51/77/05/815517705.db2.gz PYDSEZQTDJRHNM-NSHDSACASA-N 2 0 276.388 -0.063 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001116966146 812349563 /nfs/dbraw/zinc/34/95/63/812349563.db2.gz XYXFNIZXTKUSOC-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP O=C([C@H]1[NH2+]CC[C@H]1O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158335274 815520689 /nfs/dbraw/zinc/52/06/89/815520689.db2.gz QAJKNYDPQCMHKL-YJNKXOJESA-N 2 0 287.363 -0.193 20 0 CBADRP Cc1nc2c([nH]1)CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2 ZINC001158347334 815521601 /nfs/dbraw/zinc/52/16/01/815521601.db2.gz ILDDZVNAASHSOP-JTQLQIEISA-N 2 0 297.428 -0.335 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H]2CCO[C@H]2C1 ZINC001158340143 815522037 /nfs/dbraw/zinc/52/20/37/815522037.db2.gz ZDOIRGFEYBHMCJ-XBFCOCLRSA-N 2 0 296.415 -0.626 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H]2CCO[C@H]2C1 ZINC001158340140 815522142 /nfs/dbraw/zinc/52/21/42/815522142.db2.gz ZDOIRGFEYBHMCJ-BNOWGMLFSA-N 2 0 296.415 -0.626 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158379763 815523035 /nfs/dbraw/zinc/52/30/35/815523035.db2.gz HCWWWPXGTGHTBM-QJPTWQEYSA-N 2 0 284.404 -0.443 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158414267 815526850 /nfs/dbraw/zinc/52/68/50/815526850.db2.gz FFIQJUOCQSIZSK-TUAOUCFPSA-N 2 0 263.345 -0.747 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC001117972069 812459535 /nfs/dbraw/zinc/45/95/35/812459535.db2.gz MTNJOAXKBYYSJR-WOPDTQHZSA-N 2 0 282.388 -0.465 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC001117972067 812459726 /nfs/dbraw/zinc/45/97/26/812459726.db2.gz MTNJOAXKBYYSJR-TUAOUCFPSA-N 2 0 282.388 -0.465 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC001117972535 812460099 /nfs/dbraw/zinc/46/00/99/812460099.db2.gz VLSUBRBUUVGRCN-RWMBFGLXSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC001117972062 812460130 /nfs/dbraw/zinc/46/01/30/812460130.db2.gz MTNJOAXKBYYSJR-GRYCIOLGSA-N 2 0 282.388 -0.465 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NCC[C@@H](C)[NH2+]C ZINC001117966548 812460250 /nfs/dbraw/zinc/46/02/50/812460250.db2.gz KBNTUPVERCNPFY-LLVKDONJSA-N 2 0 260.382 -0.402 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC001117972066 812460326 /nfs/dbraw/zinc/46/03/26/812460326.db2.gz MTNJOAXKBYYSJR-SRVKXCTJSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001118035057 812464091 /nfs/dbraw/zinc/46/40/91/812464091.db2.gz LGSMBDRYNCYCEB-IJLUTSLNSA-N 2 0 284.404 -0.314 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158421063 815528001 /nfs/dbraw/zinc/52/80/01/815528001.db2.gz RMPCZVLIMDESQH-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2cnnn2C)CC[N@@H+]1C ZINC001158421037 815528206 /nfs/dbraw/zinc/52/82/06/815528206.db2.gz QSANWHUVISOCCH-DGCLKSJQSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]([NH3+])CC(F)F)CCO1 ZINC001118140320 812477778 /nfs/dbraw/zinc/47/77/78/812477778.db2.gz LXUXTIXOWAVYQA-RNJXMRFFSA-N 2 0 251.277 -0.457 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001118179336 812485580 /nfs/dbraw/zinc/48/55/80/812485580.db2.gz QYUBXKWCBQFANW-YNEHKIRRSA-N 2 0 268.405 -0.147 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC001118190696 812488593 /nfs/dbraw/zinc/48/85/93/812488593.db2.gz XEJJKKPOONVCRT-AWEZNQCLSA-N 2 0 298.431 -0.491 20 0 CBADRP [NH3+]C[C@H]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001118202772 812493714 /nfs/dbraw/zinc/49/37/14/812493714.db2.gz FFASAXKGSQAYER-GHMZBOCLSA-N 2 0 268.361 -0.948 20 0 CBADRP [NH3+]C[C@H]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001118202773 812494002 /nfs/dbraw/zinc/49/40/02/812494002.db2.gz FFASAXKGSQAYER-MNOVXSKESA-N 2 0 268.361 -0.948 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001118201931 812494129 /nfs/dbraw/zinc/49/41/29/812494129.db2.gz MJNAMTOHTOMJFR-RKDXNWHRSA-N 2 0 252.322 -0.720 20 0 CBADRP C[NH2+]CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001118226568 812500569 /nfs/dbraw/zinc/50/05/69/812500569.db2.gz WHASOLFJQPWMGC-YPMHNXCESA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H](CCO)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001118242878 812505318 /nfs/dbraw/zinc/50/53/18/812505318.db2.gz MHRPMCFNFIJGCN-STQMWFEESA-N 2 0 259.394 -0.797 20 0 CBADRP C[NH2+][C@@H](C(=O)N1CC[C@H](C[NH3+])C1)c1cnn(C)c1 ZINC001118255864 812510274 /nfs/dbraw/zinc/51/02/74/812510274.db2.gz HCFICCQXWPJUTF-MWLCHTKSSA-N 2 0 251.334 -0.512 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@@H](N)CC[NH+](C)C)CC[N@@H+]1C ZINC001118337472 812534123 /nfs/dbraw/zinc/53/41/23/812534123.db2.gz NYVLODUUWCJIPH-WOPDTQHZSA-N 2 0 256.394 -0.136 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[NH2+]1 ZINC001118325188 812529565 /nfs/dbraw/zinc/52/95/65/812529565.db2.gz BOFVQKNPZTVRGT-LPWJVIDDSA-N 2 0 296.415 -0.301 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001118337354 812534075 /nfs/dbraw/zinc/53/40/75/812534075.db2.gz FBIXOPLJXBJCID-BFHYXJOUSA-N 2 0 299.415 -0.033 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)CC[NH2+]C ZINC001158498701 815536048 /nfs/dbraw/zinc/53/60/48/815536048.db2.gz SODBTNJIQUXXPQ-GARJFASQSA-N 2 0 269.345 -0.652 20 0 CBADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC001118486241 812555473 /nfs/dbraw/zinc/55/54/73/812555473.db2.gz JKBVCJYVWGSZCH-MNOVXSKESA-N 2 0 280.372 -0.935 20 0 CBADRP CC(C)(C[NH3+])C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001118505285 812561391 /nfs/dbraw/zinc/56/13/91/812561391.db2.gz CLTQKAXUDPBPIJ-UHFFFAOYSA-N 2 0 253.306 -0.758 20 0 CBADRP COCC[NH2+]CC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118506264 812562163 /nfs/dbraw/zinc/56/21/63/812562163.db2.gz MNCFKEDYDBTHFO-CYBMUJFWSA-N 2 0 285.388 -0.408 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001118505775 812562388 /nfs/dbraw/zinc/56/23/88/812562388.db2.gz IBXOEYTXEOEFGA-ZJUUUORDSA-N 2 0 266.349 -0.330 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)=NO1 ZINC001118506933 812563236 /nfs/dbraw/zinc/56/32/36/812563236.db2.gz SFMIQHGXFRUALZ-GWCFXTLKSA-N 2 0 266.345 -0.308 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001118538574 812570087 /nfs/dbraw/zinc/57/00/87/812570087.db2.gz SGOXHGDCNBDRBH-UHFFFAOYSA-N 2 0 296.375 -0.810 20 0 CBADRP CC(C)([NH3+])CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001118544648 812570853 /nfs/dbraw/zinc/57/08/53/812570853.db2.gz JALZAULOUSLKGK-UHFFFAOYSA-N 2 0 268.321 -0.823 20 0 CBADRP [NH3+]CCn1cc(C(=O)Nc2ccc(C[NH3+])cc2)nn1 ZINC001118544116 812571350 /nfs/dbraw/zinc/57/13/50/812571350.db2.gz DGVDLYIUMJOJPD-UHFFFAOYSA-N 2 0 260.301 -0.052 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001118548919 812573115 /nfs/dbraw/zinc/57/31/15/812573115.db2.gz URPAIRUBFHQSBO-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP N[C@@]1(C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)CCC[NH2+]C1 ZINC001158547450 815538541 /nfs/dbraw/zinc/53/85/41/815538541.db2.gz PFASLJKORFLCND-RJZRQDKASA-N 2 0 294.399 -0.953 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C[C@H]1CC[NH2+]C1 ZINC001118569156 812577756 /nfs/dbraw/zinc/57/77/56/812577756.db2.gz CHGVMGFAQRENEH-CHWSQXEVSA-N 2 0 268.405 -0.262 20 0 CBADRP [NH3+]CCCCCCNC(=O)c1cn(CC[NH3+])nn1 ZINC001118572402 812580504 /nfs/dbraw/zinc/58/05/04/812580504.db2.gz QTTNKYGUAJNDGI-UHFFFAOYSA-N 2 0 254.338 -0.514 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567833 815538115 /nfs/dbraw/zinc/53/81/15/815538115.db2.gz KQZXHINAOUBAHK-AXFHLTTASA-N 3 0 272.368 -0.412 20 0 CBADRP O=C([C@@H]1CC[NH2+]C[C@@H]1F)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158548460 815538128 /nfs/dbraw/zinc/53/81/28/815538128.db2.gz UHUZKXWYRXPAGT-IHWVXMPCSA-N 2 0 297.374 -0.087 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158548322 815538682 /nfs/dbraw/zinc/53/86/82/815538682.db2.gz SUULJSANOGIUNW-QVHKTLOISA-N 2 0 295.383 -0.656 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158548323 815538734 /nfs/dbraw/zinc/53/87/34/815538734.db2.gz SUULJSANOGIUNW-RGCMKSIDSA-N 2 0 295.383 -0.656 20 0 CBADRP N[C@]1(C(=O)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)CC[NH2+]C1 ZINC001158579811 815539627 /nfs/dbraw/zinc/53/96/27/815539627.db2.gz YGTJCBQUPINIBE-OPQQBVKSSA-N 2 0 270.352 -0.787 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158579524 815539835 /nfs/dbraw/zinc/53/98/35/815539835.db2.gz UKOARLPRQFVLGZ-YTWAJWBKSA-N 2 0 270.352 -0.932 20 0 CBADRP COCCN1CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001158605067 815540846 /nfs/dbraw/zinc/54/08/46/815540846.db2.gz UTRUEYMUEMSCSO-ZDUSSCGKSA-N 2 0 284.404 -0.896 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCCC(=O)CC1 ZINC001158672744 815542680 /nfs/dbraw/zinc/54/26/80/815542680.db2.gz ZMPSCKNOXPCUMZ-CYBMUJFWSA-N 2 0 282.388 -0.682 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001118920011 812662099 /nfs/dbraw/zinc/66/20/99/812662099.db2.gz SHJCJMGYEIOWRK-UMSGYPCISA-N 2 0 296.415 -0.158 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001118921324 812663498 /nfs/dbraw/zinc/66/34/98/812663498.db2.gz PXWIDHLJUIMEOM-MNOVXSKESA-N 2 0 258.366 -0.792 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C(C)(C)C)CC1 ZINC001118931621 812668311 /nfs/dbraw/zinc/66/83/11/812668311.db2.gz FZSYMSRJBHKBOA-NWDGAFQWSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC001118975935 812681096 /nfs/dbraw/zinc/68/10/96/812681096.db2.gz UQUAZHLEPIMTCB-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP CONC(=O)C1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC001119002262 812687586 /nfs/dbraw/zinc/68/75/86/812687586.db2.gz JLKYSAWBUUYDDJ-UHFFFAOYSA-N 2 0 270.377 -0.719 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001119056837 812702070 /nfs/dbraw/zinc/70/20/70/812702070.db2.gz XZXPMHCDMQGOHF-GHMZBOCLSA-N 2 0 255.362 -0.184 20 0 CBADRP Cn1cc([C@@H]2CN(CC34CC(C3)C[NH2+]4)C[C@H]2[NH3+])cn1 ZINC001119090523 812708872 /nfs/dbraw/zinc/70/88/72/812708872.db2.gz FEUCBPZGOBKSAG-OSOQGNGPSA-N 2 0 261.373 -0.101 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCCN(CC(N)=O)C1 ZINC001119236780 812727657 /nfs/dbraw/zinc/72/76/57/812727657.db2.gz CQDVQQYAJSWFFB-TVNDVJIGSA-N 2 0 294.399 -0.536 20 0 CBADRP C[NH+](C)CCCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001119237698 812728765 /nfs/dbraw/zinc/72/87/65/812728765.db2.gz YFEPDKNSRDOKKT-GOSISDBHSA-N 2 0 275.418 -0.445 20 0 CBADRP O=C(CCC1C[NH2+]C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001119238727 812728923 /nfs/dbraw/zinc/72/89/23/812728923.db2.gz CEEFZOJRGUNUIU-ZDUSSCGKSA-N 2 0 266.389 -0.508 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)c2c(C[NH3+])cnn2C)C[NH2+]1 ZINC001119243409 812731496 /nfs/dbraw/zinc/73/14/96/812731496.db2.gz RHLHGABZHKXWDA-PSASIEDQSA-N 2 0 251.334 -0.251 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C1=NO[C@H](C[NH3+])C1)C2 ZINC001119244607 812731908 /nfs/dbraw/zinc/73/19/08/812731908.db2.gz HRYJRZMAYJIJRZ-HOTUBEGUSA-N 2 0 252.318 -0.842 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001119295569 812744711 /nfs/dbraw/zinc/74/47/11/812744711.db2.gz VRYBQYCIAGDLCF-VIFPVBQESA-N 2 0 256.350 -0.950 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001119295881 812745928 /nfs/dbraw/zinc/74/59/28/812745928.db2.gz ZMDXWYRMPBICBU-JTQLQIEISA-N 2 0 282.388 -0.417 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)=NO1 ZINC001119300989 812748863 /nfs/dbraw/zinc/74/88/63/812748863.db2.gz MSFHRDAIQQQGTF-NGZCFLSTSA-N 2 0 252.318 -0.557 20 0 CBADRP CCN(C(=O)c1[nH]nc2c1C[NH2+]CC2)[C@@H]1CC[NH2+]C1 ZINC001119322600 812753510 /nfs/dbraw/zinc/75/35/10/812753510.db2.gz QFNZJLVYOMKIRA-SECBINFHSA-N 2 0 263.345 -0.121 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119356633 812765396 /nfs/dbraw/zinc/76/53/96/812765396.db2.gz JPXIEQWJSNCXFM-PRULPYPASA-N 2 0 294.399 -0.561 20 0 CBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC001119363454 812767813 /nfs/dbraw/zinc/76/78/13/812767813.db2.gz YNLGCWOTPDAAJV-UHFFFAOYSA-N 2 0 296.415 -0.299 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119370226 812769837 /nfs/dbraw/zinc/76/98/37/812769837.db2.gz IYQUYTLZOFZDGD-JHJVBQTASA-N 2 0 296.415 -0.360 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C(C)C ZINC001119369711 812770251 /nfs/dbraw/zinc/77/02/51/812770251.db2.gz FWUDOQMKVQUKQH-HAQNSBGRSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)([NH3+])CCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC001119372719 812771547 /nfs/dbraw/zinc/77/15/47/812771547.db2.gz TYTGAWVMRCNRKN-UHFFFAOYSA-N 2 0 251.334 -0.087 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC001119407882 812777008 /nfs/dbraw/zinc/77/70/08/812777008.db2.gz RBOYZSBGEKOKEK-YVECIDJPSA-N 2 0 296.415 -0.029 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC001119416086 812777777 /nfs/dbraw/zinc/77/77/77/812777777.db2.gz HTRWJHULXMPXBZ-GMTAPVOTSA-N 2 0 256.350 -0.599 20 0 CBADRP C[NH2+]CCNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC001119414524 812778228 /nfs/dbraw/zinc/77/82/28/812778228.db2.gz JDDBFBNYSBJXLM-UHFFFAOYSA-N 2 0 269.374 -0.111 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC001119415634 812778423 /nfs/dbraw/zinc/77/84/23/812778423.db2.gz WPNIYGBSIMKLRL-OUAUKWLOSA-N 2 0 270.377 -0.609 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001119415703 812778661 /nfs/dbraw/zinc/77/86/61/812778661.db2.gz YOKMIQLZWBUFAP-AXFHLTTASA-N 2 0 280.372 -0.807 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCN1CC=CC1 ZINC001119597310 812826371 /nfs/dbraw/zinc/82/63/71/812826371.db2.gz CDAHXCJNHMZLJN-WCQYABFASA-N 2 0 253.346 -0.571 20 0 CBADRP COCc1n[nH]c2c1CN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001159090309 815559086 /nfs/dbraw/zinc/55/90/86/815559086.db2.gz CFNCBTPSACQIJT-JTQLQIEISA-N 2 0 291.355 -0.793 20 0 CBADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2CC[NH2+]2)C1 ZINC001159132515 815559742 /nfs/dbraw/zinc/55/97/42/815559742.db2.gz ADZSIERJLWUWDJ-NEPJUHHUSA-N 2 0 277.372 -0.235 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001159154816 815560636 /nfs/dbraw/zinc/56/06/36/815560636.db2.gz BWHIODPIMJZZCA-WDEREUQCSA-N 2 0 290.383 -0.364 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001159132869 815560698 /nfs/dbraw/zinc/56/06/98/815560698.db2.gz FFCHRHZUWGAXTN-RYUDHWBXSA-N 2 0 279.388 -0.002 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCCC[NH2+]CC(N)=O ZINC001159156015 815561060 /nfs/dbraw/zinc/56/10/60/815561060.db2.gz ZYBMLSXJONIGTQ-SNVBAGLBSA-N 2 0 276.356 -0.753 20 0 CBADRP COCc1n[nH]c2c1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001159090566 815558351 /nfs/dbraw/zinc/55/83/51/815558351.db2.gz FEJIGNSDAFHACH-JTQLQIEISA-N 2 0 281.360 -0.145 20 0 CBADRP CCS(=O)(=O)CC[NH2+]C1CCN(CC[NH3+])CC1 ZINC001120269226 812945273 /nfs/dbraw/zinc/94/52/73/812945273.db2.gz OVRGSXVBZLGBNQ-UHFFFAOYSA-N 2 0 263.407 -0.566 20 0 CBADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)C1 ZINC001120269059 812945307 /nfs/dbraw/zinc/94/53/07/812945307.db2.gz MEJVMPFAKYIZBX-TUAOUCFPSA-N 2 0 267.373 -0.313 20 0 CBADRP C[C@@H]1COC[C@@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001120275543 812946275 /nfs/dbraw/zinc/94/62/75/812946275.db2.gz OFYCHUUAAHGFOW-UPJWGTAASA-N 2 0 257.378 -0.781 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001120419627 812962286 /nfs/dbraw/zinc/96/22/86/812962286.db2.gz VWIIOQVTTBPROO-DGCLKSJQSA-N 2 0 296.415 -0.299 20 0 CBADRP O=C([C@@H]1[NH2+]CC12CCOCC2)N1CCC[NH2+]CC1 ZINC001120454618 812969787 /nfs/dbraw/zinc/96/97/87/812969787.db2.gz YSXZMYBDQNDGPG-NSHDSACASA-N 2 0 253.346 -0.423 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC001120457111 812970130 /nfs/dbraw/zinc/97/01/30/812970130.db2.gz YUCKDNCGZMOQPL-NTZNESFSSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC1([NH3+])CC1 ZINC001120504214 812977757 /nfs/dbraw/zinc/97/77/57/812977757.db2.gz JBKHXNGLRKWTTJ-NSHDSACASA-N 2 0 269.393 -0.587 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001120537901 812985344 /nfs/dbraw/zinc/98/53/44/812985344.db2.gz KACQETBFFXDUMP-UONOGXRCSA-N 2 0 295.431 -0.467 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)NCCCN2CC[NH2+]CC2)C1 ZINC001120538845 812986286 /nfs/dbraw/zinc/98/62/86/812986286.db2.gz RYDAJMFMUZAMEG-QWHCGFSZSA-N 2 0 283.420 -0.292 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)N2CC3(C2)CC[N@H+](CC2CC2)C3)C1 ZINC001159291168 815567726 /nfs/dbraw/zinc/56/77/26/815567726.db2.gz LTUZKJDOOMXCOA-OLZOCXBDSA-N 2 0 278.400 -0.380 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001120546634 812989346 /nfs/dbraw/zinc/98/93/46/812989346.db2.gz UIKMPMUBYXADEO-VXGBXAGGSA-N 2 0 269.393 -0.682 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291108 815567842 /nfs/dbraw/zinc/56/78/42/815567842.db2.gz KSPIRPVJOXWYBR-LBPRGKRZSA-N 2 0 266.389 -0.393 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001120553725 812990507 /nfs/dbraw/zinc/99/05/07/812990507.db2.gz ACFXNDUKIXVUPU-NEPJUHHUSA-N 2 0 272.393 -0.281 20 0 CBADRP CC(C)OC[C@H](O)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC001120561426 812991964 /nfs/dbraw/zinc/99/19/64/812991964.db2.gz PVNNBLYSIBPTCO-CQSZACIVSA-N 2 0 273.421 -0.001 20 0 CBADRP CCN1CCC[C@@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001120569684 812993016 /nfs/dbraw/zinc/99/30/16/812993016.db2.gz GADPPHFXBFEIFK-HUUCEWRRSA-N 2 0 284.448 -0.331 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001120619915 812999780 /nfs/dbraw/zinc/99/97/80/812999780.db2.gz URDFPTWVPLINPS-LLVKDONJSA-N 2 0 272.393 -0.138 20 0 CBADRP OCC1(CO)CC([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC001120611207 813000000 /nfs/dbraw/zinc/00/00/00/813000000.db2.gz RWDAQLNBTIXOLN-LBPRGKRZSA-N 2 0 258.362 -0.834 20 0 CBADRP OCC1(CO)CC([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC001120611206 813000168 /nfs/dbraw/zinc/00/01/68/813000168.db2.gz RWDAQLNBTIXOLN-GFCCVEGCSA-N 2 0 258.362 -0.834 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001120619916 813001036 /nfs/dbraw/zinc/00/10/36/813001036.db2.gz URDFPTWVPLINPS-NSHDSACASA-N 2 0 272.393 -0.138 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)NCCCN1CC[NH2+]CC1)C2 ZINC001120625889 813001644 /nfs/dbraw/zinc/00/16/44/813001644.db2.gz LYVQFKXIXNARPA-MJBXVCDLSA-N 2 0 295.431 -0.197 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)NCC2=CC[NH2+]CC2)CC1 ZINC001120631596 813003996 /nfs/dbraw/zinc/00/39/96/813003996.db2.gz NATKEBACUDELRT-UHFFFAOYSA-N 2 0 281.404 -0.372 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC001120644307 813004342 /nfs/dbraw/zinc/00/43/42/813004342.db2.gz DKLNPXCCPZQDLS-OUAUKWLOSA-N 2 0 256.350 -0.789 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001120642936 813005327 /nfs/dbraw/zinc/00/53/27/813005327.db2.gz WVJRJOIYFNSVHJ-AXFHLTTASA-N 2 0 256.350 -0.647 20 0 CBADRP CN1CCO[C@H](C(=O)N[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001120688231 813011448 /nfs/dbraw/zinc/01/14/48/813011448.db2.gz ZONGJCRUIVVLCT-NEPJUHHUSA-N 2 0 253.346 -0.473 20 0 CBADRP CC(C)(CO)[NH+]1CCN(c2nccnc2C[NH3+])CC1 ZINC001120815885 813021299 /nfs/dbraw/zinc/02/12/99/813021299.db2.gz FLFZFMBQKGDIRI-UHFFFAOYSA-N 2 0 265.361 -0.172 20 0 CBADRP C[N@H+](CCNc1nccnc1C[NH3+])CCOCCO ZINC001120957986 813030067 /nfs/dbraw/zinc/03/00/67/813030067.db2.gz CRQRWRXPXDSFAS-UHFFFAOYSA-N 2 0 269.349 -0.712 20 0 CBADRP [NH3+]CCOCCOCCNc1ncnc2c1CC[NH2+]C2 ZINC001159445083 815573966 /nfs/dbraw/zinc/57/39/66/815573966.db2.gz VAKYCYPWTVQDQP-UHFFFAOYSA-N 2 0 281.360 -0.474 20 0 CBADRP [NH3+]CCOCCOCCNc1ncc2c(n1)CC[NH2+]C2 ZINC001159444283 815573383 /nfs/dbraw/zinc/57/33/83/815573383.db2.gz DOIKLDTWTMFUSE-UHFFFAOYSA-N 2 0 281.360 -0.474 20 0 CBADRP CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2)[NH+](C)C ZINC001121798168 813076516 /nfs/dbraw/zinc/07/65/16/813076516.db2.gz GSVFBSLFHWUFHD-WAQQSHLVSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C[NH+]1CCC(CO)CC1 ZINC001121810388 813077859 /nfs/dbraw/zinc/07/78/59/813077859.db2.gz ISWUVIFWGBSCAL-LLVKDONJSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC1(C[NH3+])CCCC1 ZINC001121895073 813083550 /nfs/dbraw/zinc/08/35/50/813083550.db2.gz AKOKQJNCLDMSMO-NEPJUHHUSA-N 2 0 266.389 -0.238 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC1(C[NH3+])CCCC1 ZINC001121895077 813084932 /nfs/dbraw/zinc/08/49/32/813084932.db2.gz AKOKQJNCLDMSMO-RYUDHWBXSA-N 2 0 266.389 -0.238 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001121896181 813086386 /nfs/dbraw/zinc/08/63/86/813086386.db2.gz HLBQGEVQLQPQLR-CHWSQXEVSA-N 2 0 268.405 -0.121 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)NCCC[NH+]2CCCC2)C1=O ZINC001121900807 813086768 /nfs/dbraw/zinc/08/67/68/813086768.db2.gz JYWMGQQGQMPYIL-CYBMUJFWSA-N 2 0 296.415 -0.214 20 0 CBADRP COCCN1CCN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001121906145 813087301 /nfs/dbraw/zinc/08/73/01/813087301.db2.gz QRFOCGCZNOIOIK-AGIUHOORSA-N 2 0 267.373 -0.368 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001121908828 813087732 /nfs/dbraw/zinc/08/77/32/813087732.db2.gz FEIKJIXGVCSLLQ-OLZOCXBDSA-N 2 0 296.415 -0.358 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001121908829 813088119 /nfs/dbraw/zinc/08/81/19/813088119.db2.gz FEIKJIXGVCSLLQ-QWHCGFSZSA-N 2 0 296.415 -0.358 20 0 CBADRP C[NH+](C)CC1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001121908582 813088590 /nfs/dbraw/zinc/08/85/90/813088590.db2.gz AFCLIUOBLPISNY-OCCSQVGLSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@]23CC[C@H]2C[NH2+]C3)CC1 ZINC001121925553 813090343 /nfs/dbraw/zinc/09/03/43/813090343.db2.gz APXPXANTMWWVCV-ZFWWWQNUSA-N 2 0 280.416 -0.260 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@]23C[C@H]2CCC[NH2+]3)CC1 ZINC001121926370 813090431 /nfs/dbraw/zinc/09/04/31/813090431.db2.gz MLQFIMCHKSRGHO-HIFRSBDPSA-N 2 0 280.416 -0.118 20 0 CBADRP C[NH2+]C1CC(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC001121928362 813090651 /nfs/dbraw/zinc/09/06/51/813090651.db2.gz NVUBYKXENVMASE-HIFPTAJRSA-N 2 0 268.405 -0.264 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC001121938847 813093194 /nfs/dbraw/zinc/09/31/94/813093194.db2.gz YGDARSANVVGBSZ-UHFZAUJKSA-N 2 0 257.378 -0.295 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001121939463 813093453 /nfs/dbraw/zinc/09/34/53/813093453.db2.gz JVZNBUKSMRAXBR-TUAOUCFPSA-N 2 0 252.362 -0.913 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC001121943876 813094973 /nfs/dbraw/zinc/09/49/73/813094973.db2.gz NGCNROUPAVLVQO-WOPDTQHZSA-N 2 0 257.378 -0.149 20 0 CBADRP CC(C)[NH+]1CCC(N(C)C(=O)CNCC[NH3+])CC1 ZINC001121981466 813098792 /nfs/dbraw/zinc/09/87/92/813098792.db2.gz KHZIPPJICMEIOG-UHFFFAOYSA-N 2 0 256.394 -0.134 20 0 CBADRP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001121989679 813100890 /nfs/dbraw/zinc/10/08/90/813100890.db2.gz VKKFOAFRXVDNBO-MBNYWOFBSA-N 2 0 269.389 -0.053 20 0 CBADRP CN(C(=O)[C@@H]1CCCN(CC[NH3+])C1=O)[C@H](C[NH3+])C1CC1 ZINC001121986506 813101585 /nfs/dbraw/zinc/10/15/85/813101585.db2.gz IPTMVJWQZRFPIF-NWDGAFQWSA-N 2 0 282.388 -0.621 20 0 CBADRP C[C@@H]1CCC[C@@](CNC(=O)[C@H]([NH3+])CO)([NH+](C)C)C1 ZINC001121988334 813101937 /nfs/dbraw/zinc/10/19/37/813101937.db2.gz JWWGAHRXWBFFFW-NQBHXWOUSA-N 2 0 257.378 -0.067 20 0 CBADRP COCC[NH2+]CCNC(=O)Cc1csc(C[NH3+])n1 ZINC001122010085 813103608 /nfs/dbraw/zinc/10/36/08/813103608.db2.gz JQESHDZFDDKLDA-UHFFFAOYSA-N 2 0 272.374 -0.504 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001122009205 813103720 /nfs/dbraw/zinc/10/37/20/813103720.db2.gz HNFDQCMDHBTARW-ILXRZTDVSA-N 2 0 294.443 -0.014 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[NH2+]CCN1C ZINC001122005759 813104008 /nfs/dbraw/zinc/10/40/08/813104008.db2.gz SUVQBEGJOFDMJD-RTXFEEFZSA-N 2 0 266.389 -0.511 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001122009203 813104337 /nfs/dbraw/zinc/10/43/37/813104337.db2.gz HJWUEZRFERCFRT-UHFFFAOYSA-N 2 0 298.431 -0.770 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001122010810 813104407 /nfs/dbraw/zinc/10/44/07/813104407.db2.gz ZTXFXWAZMPUQPX-OCIKQUFWSA-N 2 0 269.389 -0.056 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NCc1ccc(C[NH3+])cc1 ZINC001122007049 813104478 /nfs/dbraw/zinc/10/44/78/813104478.db2.gz MFGWOENKXUSNEQ-CYBMUJFWSA-N 2 0 262.357 -0.335 20 0 CBADRP C[C@]1(C(=O)NCCC[C@H]2CCC[NH2+]2)C[C@H](O)C[NH2+]1 ZINC001122023945 813106328 /nfs/dbraw/zinc/10/63/28/813106328.db2.gz ROCSNJIPPFBHDI-NTZNESFSSA-N 2 0 255.362 -0.252 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC001122024800 813106368 /nfs/dbraw/zinc/10/63/68/813106368.db2.gz ZVELGESDJFDFSA-GHMZBOCLSA-N 2 0 271.361 -0.085 20 0 CBADRP C[NH+](C)CCOCCNC(=O)C12CCC(CC1)[NH2+]2 ZINC001122040779 813108804 /nfs/dbraw/zinc/10/88/04/813108804.db2.gz DQCVCXJGZXMCAO-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP Cc1cc(C[NH3+])oc1C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001122063827 813110350 /nfs/dbraw/zinc/11/03/50/813110350.db2.gz NLPOSYLQQNLOMN-VIFPVBQESA-N 2 0 265.313 -0.093 20 0 CBADRP [NH3+][C@H](CO)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001122055182 813110714 /nfs/dbraw/zinc/11/07/14/813110714.db2.gz HFNHNHVVAZUGFI-NWDGAFQWSA-N 2 0 255.362 -0.456 20 0 CBADRP O=C(NCC1(O)C[NH2+]C1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC001122054837 813110728 /nfs/dbraw/zinc/11/07/28/813110728.db2.gz AJQWYZRWFXPDBY-SRVKXCTJSA-N 2 0 267.373 -0.252 20 0 CBADRP CN(C(=O)C[NH+]1CCC(CO)CC1)[C@@H](C[NH3+])C1CC1 ZINC001122066896 813111921 /nfs/dbraw/zinc/11/19/21/813111921.db2.gz UALSDUDDOLLHOG-ZDUSSCGKSA-N 2 0 269.389 -0.114 20 0 CBADRP C[C@@H]([NH3+])CONC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001122070765 813111985 /nfs/dbraw/zinc/11/19/85/813111985.db2.gz GASOGVVWVJBBAV-SECBINFHSA-N 2 0 255.322 -0.547 20 0 CBADRP C[C@@H]1C[C@H](C)N(C(=O)[C@H]2C[NH2+]CCN2C)C[C@H]1C[NH3+] ZINC001122075148 813113348 /nfs/dbraw/zinc/11/33/48/813113348.db2.gz GVBSCCLQWCKJBP-YVECIDJPSA-N 2 0 268.405 -0.278 20 0 CBADRP O=C(NCC[C@@H]1CSCC[NH2+]1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC001122082707 813114191 /nfs/dbraw/zinc/11/41/91/813114191.db2.gz LBCCTFHVOQOSQS-DBIOUOCHSA-N 2 0 255.387 -0.052 20 0 CBADRP [NH3+]CCNCC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001122079506 813114307 /nfs/dbraw/zinc/11/43/07/813114307.db2.gz OCZGXGVUMWVTHF-ZDUSSCGKSA-N 2 0 268.405 -0.227 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]12 ZINC001122077604 813114896 /nfs/dbraw/zinc/11/48/96/813114896.db2.gz QHGHQSCLNALQPA-JZRPKSSGSA-N 2 0 267.373 -0.396 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001122089192 813115208 /nfs/dbraw/zinc/11/52/08/813115208.db2.gz RKUOSLANQLXDJE-JTQLQIEISA-N 2 0 254.334 -0.060 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001122089551 813115252 /nfs/dbraw/zinc/11/52/52/813115252.db2.gz LMGODGDDVSVVGT-GRYCIOLGSA-N 2 0 255.362 -0.464 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001122099691 813117169 /nfs/dbraw/zinc/11/71/69/813117169.db2.gz JEQYEBXXYIYPLI-GRYCIOLGSA-N 2 0 257.378 -0.102 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCOCC1 ZINC001122107707 813119183 /nfs/dbraw/zinc/11/91/83/813119183.db2.gz JTNQEXQLINSEPG-GARJFASQSA-N 2 0 255.362 -0.016 20 0 CBADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@@H]1CO ZINC001122124820 813120612 /nfs/dbraw/zinc/12/06/12/813120612.db2.gz QGCCGOHAPHXKOT-NWDGAFQWSA-N 2 0 257.378 -0.210 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001122141436 813122383 /nfs/dbraw/zinc/12/23/83/813122383.db2.gz BWEVSFQIFVTFEM-HBNTYKKESA-N 2 0 253.346 -0.249 20 0 CBADRP C[C@@H]1CN(C(=O)c2c(C[NH3+])cnn2C)C[C@H]1CC[NH3+] ZINC001122145019 813123602 /nfs/dbraw/zinc/12/36/02/813123602.db2.gz KEESPFXRIVDCMB-NXEZZACHSA-N 2 0 265.361 -0.064 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)c1cn(CC[NH3+])nn1 ZINC001122147375 813123745 /nfs/dbraw/zinc/12/37/45/813123745.db2.gz WHWBTFKBRVAOPE-NXEZZACHSA-N 2 0 266.349 -0.788 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001122144154 813123763 /nfs/dbraw/zinc/12/37/63/813123763.db2.gz VJWITJPPHLXYRA-XYTAGDGMSA-N 2 0 269.389 -0.056 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)C12CCC(CC1)[NH2+]2 ZINC001122143224 813123957 /nfs/dbraw/zinc/12/39/57/813123957.db2.gz JIXZFDAPKQBPRW-QUNCOHTASA-N 2 0 251.330 -0.482 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H](O)C[NH3+])[NH+]1CCCCC1 ZINC001122149298 813124714 /nfs/dbraw/zinc/12/47/14/813124714.db2.gz UUUDWJFVEKYCJA-VXGBXAGGSA-N 2 0 257.378 -0.067 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC001122155594 813124774 /nfs/dbraw/zinc/12/47/74/813124774.db2.gz OSABXRXHKIHHOQ-DGCLKSJQSA-N 2 0 296.415 -0.312 20 0 CBADRP [NH3+]C[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)C1CCCCCC1 ZINC001122155734 813124847 /nfs/dbraw/zinc/12/48/47/813124847.db2.gz BHAFMTGIPYTTMK-UPJWGTAASA-N 2 0 269.389 -0.019 20 0 CBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C[C@]1(O)CCC[NH2+]C1)C2 ZINC001122161435 813126206 /nfs/dbraw/zinc/12/62/06/813126206.db2.gz IOQCCOBSKIYWEQ-BNOWGMLFSA-N 2 0 267.373 -0.169 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC001122157092 813126258 /nfs/dbraw/zinc/12/62/58/813126258.db2.gz TUMUDDPPKUTSGJ-QNWJLWSRSA-N 2 0 267.373 -0.254 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1[NH2+]CC12CCCC2 ZINC001122171071 813126992 /nfs/dbraw/zinc/12/69/92/813126992.db2.gz APYMCNCBRNIRED-MNOVXSKESA-N 2 0 253.346 -0.377 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001122184962 813129447 /nfs/dbraw/zinc/12/94/47/813129447.db2.gz LBZWEBWGANLZAC-IRCOFANPSA-N 2 0 252.362 -0.677 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCCC[C@@H]1C[NH3+] ZINC001122191047 813130127 /nfs/dbraw/zinc/13/01/27/813130127.db2.gz IFJCNKVFBHLYFH-YNEHKIRRSA-N 2 0 266.389 -0.286 20 0 CBADRP CC(C)(C[NH3+])CC(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001122189577 813130322 /nfs/dbraw/zinc/13/03/22/813130322.db2.gz IOCDVUWDGVBXLA-GFCCVEGCSA-N 2 0 254.334 -0.643 20 0 CBADRP [NH3+]CC[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)c2ccccc21 ZINC001122193753 813131288 /nfs/dbraw/zinc/13/12/88/813131288.db2.gz GQXGEBGHGOBEHN-SNVBAGLBSA-N 2 0 261.325 -0.200 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)N1CCNCC[NH2+]CC1 ZINC001122199808 813131482 /nfs/dbraw/zinc/13/14/82/813131482.db2.gz BAILFFQGHMAVRT-SNVBAGLBSA-N 2 0 260.407 -0.912 20 0 CBADRP [NH3+]Cc1cccc(C(=O)N2CCNCC[NH2+]CC2)c1 ZINC001122201381 813131967 /nfs/dbraw/zinc/13/19/67/813131967.db2.gz ZSTMKUGVHKKWKH-UHFFFAOYSA-N 2 0 262.357 -0.220 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001122205296 813132408 /nfs/dbraw/zinc/13/24/08/813132408.db2.gz FLBILQGSEIHRHP-YPMHNXCESA-N 2 0 255.362 -0.312 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC001122205252 813132658 /nfs/dbraw/zinc/13/26/58/813132658.db2.gz DJROCZKNYNVBHR-ZDUSSCGKSA-N 2 0 255.362 -0.360 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001122205294 813132946 /nfs/dbraw/zinc/13/29/46/813132946.db2.gz FLBILQGSEIHRHP-DGCLKSJQSA-N 2 0 255.362 -0.312 20 0 CBADRP C[NH+](C)CC(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001122201669 813133231 /nfs/dbraw/zinc/13/32/31/813133231.db2.gz CIOFKCDXGRQMMO-NSHDSACASA-N 2 0 255.362 -0.096 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[NH2+]CCC12CCC2 ZINC001122208044 813133696 /nfs/dbraw/zinc/13/36/96/813133696.db2.gz NQALGVPEQFTMCH-RYUDHWBXSA-N 2 0 269.389 -0.053 20 0 CBADRP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)C[C@@H](O)C[NH3+] ZINC001122215651 813133902 /nfs/dbraw/zinc/13/39/02/813133902.db2.gz YQRVGJSPCCILKT-DMWPJOQESA-N 2 0 255.362 -0.411 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001122214291 813134075 /nfs/dbraw/zinc/13/40/75/813134075.db2.gz LVUHGQIAPHZMBT-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001122214290 813134316 /nfs/dbraw/zinc/13/43/16/813134316.db2.gz LVUHGQIAPHZMBT-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC001122227009 813136701 /nfs/dbraw/zinc/13/67/01/813136701.db2.gz MYQHZUKVGAAGRV-GRYCIOLGSA-N 2 0 255.362 -0.273 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCN2CCC([NH3+])CC2)C1 ZINC001122238247 813137711 /nfs/dbraw/zinc/13/77/11/813137711.db2.gz BUDKRLUCJMZWQG-LBPRGKRZSA-N 2 0 268.405 -0.133 20 0 CBADRP CN(C(=O)[C@@H]1C[C@]12CC[NH2+]C2)C1(C[NH3+])CCOCC1 ZINC001122269271 813138098 /nfs/dbraw/zinc/13/80/98/813138098.db2.gz LIGZIPWZWCRGSK-AAEUAGOBSA-N 2 0 267.373 -0.048 20 0 CBADRP C[NH2+]C1CC(C(=O)N(C)C2(C[NH3+])CCOCC2)C1 ZINC001122268747 813138664 /nfs/dbraw/zinc/13/86/64/813138664.db2.gz DJDGESKWQCJGMG-UHFFFAOYSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCNCC[NH2+]CC1 ZINC001122288065 813140682 /nfs/dbraw/zinc/14/06/82/813140682.db2.gz LRENTFSJXAOURM-NSHDSACASA-N 2 0 292.387 -0.878 20 0 CBADRP CN1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC[N@H+](C)CC1 ZINC001122291348 813140689 /nfs/dbraw/zinc/14/06/89/813140689.db2.gz RFCFYTFMFWJIGT-OAHLLOKOSA-N 2 0 298.431 -0.803 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)nn1 ZINC001122303085 813142870 /nfs/dbraw/zinc/14/28/70/813142870.db2.gz MAVXGSUGLPCQDY-KXUCPTDWSA-N 2 0 264.333 -0.750 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)NC[C@@H]2CCCCC[NH2+]2)C1=O ZINC001122392717 813158620 /nfs/dbraw/zinc/15/86/20/813158620.db2.gz RVRSFEUMPGLNPX-STQMWFEESA-N 2 0 296.415 -0.168 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001122419074 813162368 /nfs/dbraw/zinc/16/23/68/813162368.db2.gz XLFJXWCOUYBBMB-LLVKDONJSA-N 2 0 253.346 -0.471 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC001122412695 813162401 /nfs/dbraw/zinc/16/24/01/813162401.db2.gz WXGFDXKFZMVRSC-ZPFDUUQYSA-N 2 0 255.362 -0.457 20 0 CBADRP C[C@@H](NC(=O)C1CC[NH2+]CC1)[C@H]1C[N@H+](C)CCN1C ZINC001122447126 813165555 /nfs/dbraw/zinc/16/55/55/813165555.db2.gz BILZNJRWOZPZIY-DGCLKSJQSA-N 2 0 268.405 -0.264 20 0 CBADRP C[NH2+]C1CC(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)C1 ZINC001122449046 813166173 /nfs/dbraw/zinc/16/61/73/813166173.db2.gz RGVDADCHSCQIEQ-XVSSEFHLSA-N 2 0 268.405 -0.265 20 0 CBADRP C[C@H]1C(=O)Nc2cnc(N[C@@H]([NH3+])CCC[NH3+])nc2N1C ZINC001159785801 815595206 /nfs/dbraw/zinc/59/52/06/815595206.db2.gz SVDSPKMJXACZEL-IONNQARKSA-N 2 0 279.348 -0.311 20 0 CBADRP [NH3+][C@H]1C[C@H](NC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)C1 ZINC001122490597 813170854 /nfs/dbraw/zinc/17/08/54/813170854.db2.gz ZDEVBSLADMSDGH-KBVBSXBZSA-N 2 0 252.318 -0.509 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1nccc(N2CCC([NH3+])CC2)n1 ZINC001159787180 815595812 /nfs/dbraw/zinc/59/58/12/815595812.db2.gz SXWOTTAOZGMJCE-LLVKDONJSA-N 3 0 279.392 -0.160 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)[C@H]1C[N@H+](C)CCN1C ZINC001122540557 813174264 /nfs/dbraw/zinc/17/42/64/813174264.db2.gz FSRPOXFZXQCZOH-FRRDWIJNSA-N 2 0 268.405 -0.121 20 0 CBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001122535764 813174811 /nfs/dbraw/zinc/17/48/11/813174811.db2.gz HGMUJJUOBVVYPL-WOPDTQHZSA-N 2 0 253.346 -0.594 20 0 CBADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001159917509 815604724 /nfs/dbraw/zinc/60/47/24/815604724.db2.gz XYGOLOXAXIOGBT-RYUDHWBXSA-N 2 0 282.388 -0.689 20 0 CBADRP CN(C(=O)[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001122567692 813176941 /nfs/dbraw/zinc/17/69/41/813176941.db2.gz VQUFFGYXOZZXIG-QCLAVDOMSA-N 2 0 259.300 -0.093 20 0 CBADRP CN(C(=O)C[NH2+]C[C@H]1CCCO1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001122567627 813177095 /nfs/dbraw/zinc/17/70/95/813177095.db2.gz VDOWTAYIFTWRCH-DCQANWLSSA-N 2 0 253.346 -0.569 20 0 CBADRP CNS(=O)(=O)c1cccnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159786852 815596320 /nfs/dbraw/zinc/59/63/20/815596320.db2.gz LLNGCZIWFGKOSA-SECBINFHSA-N 2 0 273.362 -0.575 20 0 CBADRP Cc1cnc(N[C@@H]([NH3+])CCC[NH3+])nc1C1C[NH2+]C1 ZINC001159788114 815596448 /nfs/dbraw/zinc/59/64/48/815596448.db2.gz HMBWBAQMVUEPCD-SNVBAGLBSA-N 3 0 250.350 -0.093 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NCC[C@H]2CCC[NH2+]CC2)=NO1 ZINC001122595903 813179391 /nfs/dbraw/zinc/17/93/91/813179391.db2.gz TUYFIIKDBMCPHF-QWRGUYRKSA-N 2 0 268.361 -0.014 20 0 CBADRP CN1CCN(c2nccc(N[C@@H]([NH3+])CCC[NH3+])n2)CC1 ZINC001159787909 815596772 /nfs/dbraw/zinc/59/67/72/815596772.db2.gz DROSBRHCKCOETF-LLVKDONJSA-N 2 0 279.392 -0.336 20 0 CBADRP CNS(=O)(=O)c1ccc(N[C@@H]([NH3+])CCC[NH3+])nc1 ZINC001159787404 815596886 /nfs/dbraw/zinc/59/68/86/815596886.db2.gz WMZDLNLWJQKIIO-SECBINFHSA-N 2 0 273.362 -0.575 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001159838073 815599829 /nfs/dbraw/zinc/59/98/29/815599829.db2.gz IMPMOZGBAUFJOM-GFCCVEGCSA-N 2 0 284.404 -0.455 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+][C@H](C)C(N)=O)C1 ZINC001159838718 815600075 /nfs/dbraw/zinc/60/00/75/815600075.db2.gz OLYDIFIGDWHDGC-OLZOCXBDSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@@H](O)C[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159854984 815601790 /nfs/dbraw/zinc/60/17/90/815601790.db2.gz YUJFHNXNDYNJJX-LLVKDONJSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C)[NH+](C)C ZINC001123494472 813243781 /nfs/dbraw/zinc/24/37/81/813243781.db2.gz MAYYMZAMIKOEOW-WOPDTQHZSA-N 2 0 254.378 -0.559 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001123860985 813280988 /nfs/dbraw/zinc/28/09/88/813280988.db2.gz WGHCPPRLCAGNLY-OCCSQVGLSA-N 2 0 269.389 -0.147 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@](O)(C[NH+](C)C)C1)[NH+](C)C ZINC001123952207 813299640 /nfs/dbraw/zinc/29/96/40/813299640.db2.gz CPKYDCWUIQLWFC-DGCLKSJQSA-N 2 0 257.378 -0.148 20 0 CBADRP Cn1cncc1C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124836954 813486652 /nfs/dbraw/zinc/48/66/52/813486652.db2.gz JFIPWBGWHMFIDD-GFCCVEGCSA-N 2 0 265.361 -0.280 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001124866945 813489152 /nfs/dbraw/zinc/48/91/52/813489152.db2.gz OAFKMEHOWBSJRU-NSHDSACASA-N 2 0 291.417 -0.779 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001124867017 813489343 /nfs/dbraw/zinc/48/93/43/813489343.db2.gz PZUKSCVJTUYLIW-KGLIPLIRSA-N 2 0 299.415 -0.018 20 0 CBADRP CCCC[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001124867408 813491576 /nfs/dbraw/zinc/49/15/76/813491576.db2.gz VNEKPCAUIWAKHI-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](O)CCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124879119 813494342 /nfs/dbraw/zinc/49/43/42/813494342.db2.gz QBLCFMQJLMKFDV-NWDGAFQWSA-N 2 0 257.378 -0.053 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127065679 813709252 /nfs/dbraw/zinc/70/92/52/813709252.db2.gz CWTIHIRIXRCMTE-CHWSQXEVSA-N 2 0 287.404 -0.428 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127065682 813709882 /nfs/dbraw/zinc/70/98/82/813709882.db2.gz CWTIHIRIXRCMTE-QWHCGFSZSA-N 2 0 287.404 -0.428 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127255598 813721465 /nfs/dbraw/zinc/72/14/65/813721465.db2.gz KDJOUYKQWZTEAQ-MNOVXSKESA-N 2 0 268.361 -0.948 20 0 CBADRP O=C(NCC[NH2+]CCCO)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127255356 813721614 /nfs/dbraw/zinc/72/16/14/813721614.db2.gz IWSWIMDFRVPNGC-CHWSQXEVSA-N 2 0 269.389 -0.051 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256543 813722247 /nfs/dbraw/zinc/72/22/47/813722247.db2.gz OVMWIDXPFLZNJD-RYUDHWBXSA-N 2 0 282.388 -0.687 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127481433 813733337 /nfs/dbraw/zinc/73/33/37/813733337.db2.gz UBRHOTZUDGWMRQ-STQMWFEESA-N 2 0 285.388 -0.959 20 0 CBADRP O=C(NCC[NH2+]CCOCCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481076 813734227 /nfs/dbraw/zinc/73/42/27/813734227.db2.gz ORIMGQFVTUHYMY-CYBMUJFWSA-N 2 0 285.388 -0.957 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001127480497 813734351 /nfs/dbraw/zinc/73/43/51/813734351.db2.gz KLNDBIHRZPKNAE-NEPJUHHUSA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCn2cccn2)CC[N@@H+]1C ZINC001127643841 813739164 /nfs/dbraw/zinc/73/91/64/813739164.db2.gz NMYRPDAFVZNKOJ-CHWSQXEVSA-N 2 0 279.388 -0.071 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCn2cncn2)CC[N@@H+]1C ZINC001127701829 813740546 /nfs/dbraw/zinc/74/05/46/813740546.db2.gz YNTNEBFSVUWPBT-QWHCGFSZSA-N 2 0 294.403 -0.286 20 0 CBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127690747 813741609 /nfs/dbraw/zinc/74/16/09/813741609.db2.gz SBMAJPYYLIGMJR-JHJVBQTASA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COC)CC[N@@H+]1C ZINC001127701256 813741989 /nfs/dbraw/zinc/74/19/89/813741989.db2.gz LWOQZRLSYGFFGV-FRRDWIJNSA-N 2 0 287.404 -0.570 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(N)=O ZINC001127700734 813742123 /nfs/dbraw/zinc/74/21/23/813742123.db2.gz CNCNNAUJJCWKQY-SDDRHHMPSA-N 2 0 284.404 -0.314 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127685774 813742482 /nfs/dbraw/zinc/74/24/82/813742482.db2.gz TUYUPSZOZMGTGG-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC1CC1 ZINC001127653372 813742725 /nfs/dbraw/zinc/74/27/25/813742725.db2.gz UPPXIUJZIOFPBA-DMDPSCGWSA-N 2 0 296.415 -0.301 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)CC[N@@H+]1C ZINC001127701701 813742744 /nfs/dbraw/zinc/74/27/44/813742744.db2.gz WNPORHGXFZSDBO-OUAUKWLOSA-N 2 0 270.377 -0.704 20 0 CBADRP CCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127765279 813747391 /nfs/dbraw/zinc/74/73/91/813747391.db2.gz JNKXCBFSUUUJOS-QWHCGFSZSA-N 2 0 285.388 -0.408 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001128533223 813778815 /nfs/dbraw/zinc/77/88/15/813778815.db2.gz JKNDKSOWYFGSHS-NXEZZACHSA-N 2 0 276.356 -0.754 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001128533177 813778857 /nfs/dbraw/zinc/77/88/57/813778857.db2.gz IHVZCKTWIFDUER-LLVKDONJSA-N 2 0 290.383 -0.492 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)[C@@H](F)C[NH+](CC)CC)C(N)=O ZINC001128539865 813779222 /nfs/dbraw/zinc/77/92/22/813779222.db2.gz MHHZHPPFDSJFIB-QWRGUYRKSA-N 2 0 290.383 -0.364 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001128533617 813779695 /nfs/dbraw/zinc/77/96/95/813779695.db2.gz PBWFMHZEZUTVTO-QWRGUYRKSA-N 2 0 290.383 -0.493 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001128533224 813779935 /nfs/dbraw/zinc/77/99/35/813779935.db2.gz JKNDKSOWYFGSHS-UWVGGRQHSA-N 2 0 276.356 -0.754 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001128533225 813780352 /nfs/dbraw/zinc/78/03/52/813780352.db2.gz JKNDKSOWYFGSHS-VHSXEESVSA-N 2 0 276.356 -0.754 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CCOCCO ZINC001128533420 813780363 /nfs/dbraw/zinc/78/03/63/813780363.db2.gz MARFGUOTRDFARD-LBPRGKRZSA-N 2 0 293.383 -0.619 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cnnn1C ZINC001128774905 813797725 /nfs/dbraw/zinc/79/77/25/813797725.db2.gz YTWGFIDDMSAZFN-CYBMUJFWSA-N 2 0 294.403 -0.105 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001128779158 813799030 /nfs/dbraw/zinc/79/90/30/813799030.db2.gz PTIRJBATCUXYDB-JTQLQIEISA-N 2 0 256.350 -0.948 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)C1 ZINC001129328234 813837095 /nfs/dbraw/zinc/83/70/95/813837095.db2.gz NKMZSZAVRIFZBF-VXGBXAGGSA-N 2 0 284.404 -0.456 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)C(=O)N(C)C ZINC001129356205 813837268 /nfs/dbraw/zinc/83/72/68/813837268.db2.gz DIUHCEAYPSEGOO-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP CN1CCC[C@H]([NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1=O ZINC001129435911 813841855 /nfs/dbraw/zinc/84/18/55/813841855.db2.gz JWXCZUYXDVBCNL-QWHCGFSZSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129423360 813842255 /nfs/dbraw/zinc/84/22/55/813842255.db2.gz SYQBKUSNXPEWFA-ZDUSSCGKSA-N 2 0 296.415 -0.155 20 0 CBADRP Cn1nccc1C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435656 813842942 /nfs/dbraw/zinc/84/29/42/813842942.db2.gz IINMHJLQTNPGKA-CYBMUJFWSA-N 2 0 279.388 -0.034 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435294 813843326 /nfs/dbraw/zinc/84/33/26/813843326.db2.gz DWSKJJLJTUBJSE-AWEZNQCLSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C)C(N)=O ZINC001129444571 813845061 /nfs/dbraw/zinc/84/50/61/813845061.db2.gz VIWDDLPEWNRHKI-GHMZBOCLSA-N 2 0 270.377 -0.704 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1=O ZINC001129443329 813845562 /nfs/dbraw/zinc/84/55/62/813845562.db2.gz IXQNNHHPQUHHKX-QWHCGFSZSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001129437177 813845683 /nfs/dbraw/zinc/84/56/83/813845683.db2.gz WUYUZVCKNFDSRY-NWDGAFQWSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)C(=O)N(C)C ZINC001129444679 813846080 /nfs/dbraw/zinc/84/60/80/813846080.db2.gz WZIUOSDNIDLEOW-PWSUYJOCSA-N 2 0 284.404 -0.491 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C[N@H+](C)C1CCC1)C(=O)NC1CC1 ZINC001129535394 813848920 /nfs/dbraw/zinc/84/89/20/813848920.db2.gz PROLCSCPKAYUQM-LLVKDONJSA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129531637 813851133 /nfs/dbraw/zinc/85/11/33/813851133.db2.gz CWBOQEGAMBJVPN-UHFFFAOYSA-N 2 0 284.404 -0.299 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1=O ZINC001129839514 813869588 /nfs/dbraw/zinc/86/95/88/813869588.db2.gz AWROBTJDMYBMBZ-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CCOCCO ZINC001129842456 813869671 /nfs/dbraw/zinc/86/96/71/813869671.db2.gz YDJRHMSKIVAIEN-ZDUSSCGKSA-N 2 0 287.404 -0.425 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CCCO ZINC001129842425 813870461 /nfs/dbraw/zinc/87/04/61/813870461.db2.gz XJPWMWMFJILEEU-GFCCVEGCSA-N 2 0 257.378 -0.051 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129839573 813871756 /nfs/dbraw/zinc/87/17/56/813871756.db2.gz BZSLGZOYXBLVCA-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129854969 813872215 /nfs/dbraw/zinc/87/22/15/813872215.db2.gz ANRFFVYTIMPLFM-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C)C(N)=O ZINC001129949246 813883476 /nfs/dbraw/zinc/88/34/76/813883476.db2.gz AJKHNWMSQJYSGL-QWRGUYRKSA-N 2 0 272.393 -0.458 20 0 CBADRP CC(C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129994479 813893428 /nfs/dbraw/zinc/89/34/28/813893428.db2.gz QIUQETWWKBTEOF-OLZOCXBDSA-N 2 0 294.403 -0.020 20 0 CBADRP O=C(NCC[NH2+]CCOCCO)C12CCC[NH+](CCC1)C2 ZINC001130171852 813912674 /nfs/dbraw/zinc/91/26/74/813912674.db2.gz WULLQALWRVDHSF-UHFFFAOYSA-N 2 0 299.415 -0.423 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130188576 813915850 /nfs/dbraw/zinc/91/58/50/813915850.db2.gz GQKUHCVGEUBFBL-RYUDHWBXSA-N 2 0 255.362 -0.299 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC1CCC1)[NH+](C)C ZINC001130197227 813916023 /nfs/dbraw/zinc/91/60/23/813916023.db2.gz FGTRWHLCXJEJME-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP O=C(NCC[NH2+]CCOCCO)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130189100 813916592 /nfs/dbraw/zinc/91/65/92/813916592.db2.gz NFLHAQZOQIMVGX-KBPBESRZSA-N 2 0 299.415 -0.282 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C1CC1)[NH+](C)C ZINC001130197028 813916626 /nfs/dbraw/zinc/91/66/26/813916626.db2.gz BGQSHENRMMJRLH-GFCCVEGCSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130189965 813917028 /nfs/dbraw/zinc/91/70/28/813917028.db2.gz UJMNJCWOCWCLSV-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(N)=O ZINC001130303774 813923780 /nfs/dbraw/zinc/92/37/80/813923780.db2.gz JLUXVRWYMKKHSB-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001130303405 813924320 /nfs/dbraw/zinc/92/43/20/813924320.db2.gz BMRGILUQYXHZJI-GFCCVEGCSA-N 2 0 280.376 -0.532 20 0 CBADRP CN(C(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001130297386 813925060 /nfs/dbraw/zinc/92/50/60/813925060.db2.gz LPGZRVXGKCIHFI-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1=O ZINC001130300844 813925076 /nfs/dbraw/zinc/92/50/76/813925076.db2.gz WCYGIUYILZLXDP-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CN1CCC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC001130300874 813925343 /nfs/dbraw/zinc/92/53/43/813925343.db2.gz WUPZLSXFSBDBJV-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC001130300848 813925755 /nfs/dbraw/zinc/92/57/55/813925755.db2.gz WCYGIUYILZLXDP-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)NC1CC1 ZINC001130306058 813927655 /nfs/dbraw/zinc/92/76/55/813927655.db2.gz QIHYFHRLLCCUFN-AAEUAGOBSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001130427354 813939284 /nfs/dbraw/zinc/93/92/84/813939284.db2.gz MSWBJEDPCVZUSQ-JTQLQIEISA-N 2 0 272.393 -0.443 20 0 CBADRP Cc1c(C(=O)NCC[NH2+]CC(N)=O)ccc2c[nH+]cn21 ZINC001130656113 813960808 /nfs/dbraw/zinc/96/08/08/813960808.db2.gz KKAQNLBJFFBVLV-UHFFFAOYSA-N 2 0 275.312 -0.553 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130710699 813968083 /nfs/dbraw/zinc/96/80/83/813968083.db2.gz AXQGKTRQOYALAI-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001130711085 813968807 /nfs/dbraw/zinc/96/88/07/813968807.db2.gz MXXXWCLTZSUZSB-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001130711432 813968859 /nfs/dbraw/zinc/96/88/59/813968859.db2.gz VEYBHTWCPZZYMO-NSHDSACASA-N 2 0 270.377 -0.702 20 0 CBADRP O=C(NCC[NH2+]CCOCCO)C12CCC[NH+]1CCC2 ZINC001130808927 813983182 /nfs/dbraw/zinc/98/31/82/813983182.db2.gz XZSPVJSTTHTQIZ-UHFFFAOYSA-N 2 0 285.388 -0.671 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131372624 814025067 /nfs/dbraw/zinc/02/50/67/814025067.db2.gz OWDXKRDPDMNMRN-CYBMUJFWSA-N 2 0 292.339 -0.339 20 0 CBADRP CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525977 814037215 /nfs/dbraw/zinc/03/72/15/814037215.db2.gz SSDOPWZWMXWGRQ-LXVYMNJGSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)C(N)=O ZINC001131790105 814068935 /nfs/dbraw/zinc/06/89/35/814068935.db2.gz GEMZGJQLSKAEMQ-PWSUYJOCSA-N 2 0 282.388 -0.560 20 0 CBADRP CC(C)(C(=O)NCC[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001132283898 814120156 /nfs/dbraw/zinc/12/01/56/814120156.db2.gz NNEPCFIIUPGPQU-UHFFFAOYSA-N 2 0 256.350 -0.948 20 0 CBADRP CC(C)(C(=O)NCC[NH2+][C@@H]1CCNC1=O)[NH+]1CCCC1 ZINC001132283952 814120706 /nfs/dbraw/zinc/12/07/06/814120706.db2.gz PSCKPUIHSWBNSJ-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001132287024 814121771 /nfs/dbraw/zinc/12/17/71/814121771.db2.gz RXYBEOMJCDRZES-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001132286961 814122398 /nfs/dbraw/zinc/12/23/98/814122398.db2.gz PALKTVDXERHNCS-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]CC(=O)NC)C1 ZINC001132737499 814182016 /nfs/dbraw/zinc/18/20/16/814182016.db2.gz NOPIQFLTLZDSQN-GFCCVEGCSA-N 2 0 284.404 -0.440 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)C1 ZINC001132738047 814182550 /nfs/dbraw/zinc/18/25/50/814182550.db2.gz UMLGPNXDTOLGTF-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCF)C1 ZINC001132848429 814194085 /nfs/dbraw/zinc/19/40/85/814194085.db2.gz HWVFTPSEIOJBTO-LLVKDONJSA-N 2 0 261.341 -0.229 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CCOCCO)CC[N@@H+]1C ZINC001132887040 814197058 /nfs/dbraw/zinc/19/70/58/814197058.db2.gz ZULHUJGPQYXYIF-STQMWFEESA-N 2 0 287.404 -0.569 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886127 814198055 /nfs/dbraw/zinc/19/80/55/814198055.db2.gz CWMSWOYAGPONDF-AVGNSLFASA-N 2 0 287.404 -0.570 20 0 CBADRP C[NH+](C)Cc1ccoc1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001132983673 814205172 /nfs/dbraw/zinc/20/51/72/814205172.db2.gz HACMITMOPBWIFS-LLVKDONJSA-N 2 0 294.355 -0.451 20 0 CBADRP C[NH+](C)Cc1ccoc1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001132983674 814205299 /nfs/dbraw/zinc/20/52/99/814205299.db2.gz HACMITMOPBWIFS-NSHDSACASA-N 2 0 294.355 -0.451 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132994992 814205939 /nfs/dbraw/zinc/20/59/39/814205939.db2.gz IZDHFVVQKVUEIS-UHFFFAOYSA-N 2 0 298.431 -0.194 20 0 CBADRP CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040262 814211968 /nfs/dbraw/zinc/21/19/68/814211968.db2.gz IMALFHYQDUMZEW-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP C[NH+](C)CCCC(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001133042300 814212155 /nfs/dbraw/zinc/21/21/55/814212155.db2.gz DNLVXHHSMGOHKM-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)CCC[NH+](C)C)C1=O ZINC001133043090 814212203 /nfs/dbraw/zinc/21/22/03/814212203.db2.gz QZOUVQZVBMTIOM-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[NH+](C)CCCC(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001133040308 814212642 /nfs/dbraw/zinc/21/26/42/814212642.db2.gz KXXBFHJRWZYEFP-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001133224783 814232580 /nfs/dbraw/zinc/23/25/80/814232580.db2.gz DVQJOBALEWTGKP-STQMWFEESA-N 2 0 298.431 -0.112 20 0 CBADRP C[NH+]1CCC(C(=O)NCC[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001133287671 814235648 /nfs/dbraw/zinc/23/56/48/814235648.db2.gz LRMNJYZZYVBYLT-GFCCVEGCSA-N 2 0 282.388 -0.687 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285618 814235662 /nfs/dbraw/zinc/23/56/62/814235662.db2.gz ACPBRVCLPGWHMX-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NC(C)(C)C)CC1 ZINC001133286113 814236072 /nfs/dbraw/zinc/23/60/72/814236072.db2.gz XVUANFRAWVHOAR-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133287691 814236110 /nfs/dbraw/zinc/23/61/10/814236110.db2.gz MKODTEURTUXKQG-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP COc1cncc(C[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133287024 814236361 /nfs/dbraw/zinc/23/63/61/814236361.db2.gz CLWQIMFJGXVSJR-UHFFFAOYSA-N 2 0 281.360 -0.357 20 0 CBADRP CN1CCC[C@@H]([NH2+]CCNC(=O)CC[NH+](C)C)C1=O ZINC001133298185 814238938 /nfs/dbraw/zinc/23/89/38/814238938.db2.gz ZFJKAZXHLJWMFV-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294967 814239932 /nfs/dbraw/zinc/23/99/32/814239932.db2.gz YALGQSBTTSYGCX-UHFFFAOYSA-N 2 0 272.393 -0.489 20 0 CBADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001133309814 814240201 /nfs/dbraw/zinc/24/02/01/814240201.db2.gz HORWRUYAZNUDQF-CHWSQXEVSA-N 2 0 296.415 -0.358 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O)[NH+](C)C ZINC001133418733 814251833 /nfs/dbraw/zinc/25/18/33/814251833.db2.gz FILVLQCFAYHOTA-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)NC1CC1)[NH+](C)C ZINC001133416042 814252257 /nfs/dbraw/zinc/25/22/57/814252257.db2.gz ZVVQQUVNYWFYQO-CYBMUJFWSA-N 2 0 284.404 -0.443 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001133418950 814252485 /nfs/dbraw/zinc/25/24/85/814252485.db2.gz FTBQRTJZCMUOJP-VHSXEESVSA-N 2 0 258.366 -0.848 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+][C@H]1CCNC1=O)[NH+](CC)CC ZINC001133684133 814287601 /nfs/dbraw/zinc/28/76/01/814287601.db2.gz DGUONANBXSPWGY-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+][C@@H]1CCNC1=O)[NH+](CC)CC ZINC001133684130 814287685 /nfs/dbraw/zinc/28/76/85/814287685.db2.gz DGUONANBXSPWGY-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC)[NH+](CC)CC ZINC001133685332 814288030 /nfs/dbraw/zinc/28/80/30/814288030.db2.gz TVOHEILFYZXEQK-NSHDSACASA-N 2 0 272.393 -0.441 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CCOCCO ZINC001133819833 814299586 /nfs/dbraw/zinc/29/95/86/814299586.db2.gz PIQUZNMLJMBRTN-LBPRGKRZSA-N 2 0 273.377 -0.815 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001133819845 814299800 /nfs/dbraw/zinc/29/98/00/814299800.db2.gz PNOVMVJZKFEFFI-QWRGUYRKSA-N 2 0 268.361 -0.935 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001133849636 814306872 /nfs/dbraw/zinc/30/68/72/814306872.db2.gz BBAWOGSVLVCSSX-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)NC1CC1 ZINC001133849637 814306974 /nfs/dbraw/zinc/30/69/74/814306974.db2.gz BDEMDBSMUUICQZ-NEPJUHHUSA-N 2 0 296.415 -0.299 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845520 814308341 /nfs/dbraw/zinc/30/83/41/814308341.db2.gz HYPYJDCHDSIMDY-GFCCVEGCSA-N 2 0 284.404 -0.440 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001133845639 814308677 /nfs/dbraw/zinc/30/86/77/814308677.db2.gz KIECXTQFUHSBEA-VXGBXAGGSA-N 2 0 282.388 -0.687 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845981 814309412 /nfs/dbraw/zinc/30/94/12/814309412.db2.gz RFUQXVQKSSKIRX-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCc1ccnn1C ZINC001133862328 814309975 /nfs/dbraw/zinc/30/99/75/814309975.db2.gz CORSBCZGLLIIHH-GXTWGEPZSA-N 2 0 293.415 -0.134 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001133863207 814311080 /nfs/dbraw/zinc/31/10/80/814311080.db2.gz KIEVYTZEPVEJRB-NWDGAFQWSA-N 2 0 280.376 -0.818 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)N2CCC2)C1 ZINC001133853432 814311479 /nfs/dbraw/zinc/31/14/79/814311479.db2.gz IUPVVQMJPOIQCP-LBPRGKRZSA-N 2 0 282.388 -0.734 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001133863203 814311631 /nfs/dbraw/zinc/31/16/31/814311631.db2.gz KIEVYTZEPVEJRB-NEPJUHHUSA-N 2 0 280.376 -0.818 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001133865204 814312645 /nfs/dbraw/zinc/31/26/45/814312645.db2.gz AICDHWRQJCNJBU-AAEUAGOBSA-N 2 0 296.415 -0.584 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001133866577 814312707 /nfs/dbraw/zinc/31/27/07/814312707.db2.gz NNCMHBCREGFQES-NEPJUHHUSA-N 2 0 298.431 -0.195 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133867605 814314791 /nfs/dbraw/zinc/31/47/91/814314791.db2.gz VZGZVINSEDRFEX-NWDGAFQWSA-N 2 0 284.404 -0.632 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133867604 814315276 /nfs/dbraw/zinc/31/52/76/814315276.db2.gz VZGZVINSEDRFEX-NEPJUHHUSA-N 2 0 284.404 -0.632 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001133865210 814315482 /nfs/dbraw/zinc/31/54/82/814315482.db2.gz AICDHWRQJCNJBU-YPMHNXCESA-N 2 0 296.415 -0.584 20 0 CBADRP CCOCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133867276 814316217 /nfs/dbraw/zinc/31/62/17/814316217.db2.gz TUYMDENOYXLFAR-RYUDHWBXSA-N 2 0 257.378 -0.074 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1)C(=O)N(C)C ZINC001133896676 814319375 /nfs/dbraw/zinc/31/93/75/814319375.db2.gz NZRBIUDGKVJNNE-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1)C(N)=O ZINC001133896648 814320020 /nfs/dbraw/zinc/32/00/20/814320020.db2.gz MSZSTNCMESZTDN-LLVKDONJSA-N 2 0 284.404 -0.312 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133893492 814320338 /nfs/dbraw/zinc/32/03/38/814320338.db2.gz GUGJZCJJSBACAC-UHFFFAOYSA-N 2 0 284.404 -0.488 20 0 CBADRP C[N@H+](CC(=O)NCC[NH2+]CC(N)=O)CC(C)(C)C ZINC001133899702 814320405 /nfs/dbraw/zinc/32/04/05/814320405.db2.gz SSMJEALKGCFNIY-UHFFFAOYSA-N 2 0 258.366 -0.845 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133908040 814322290 /nfs/dbraw/zinc/32/22/90/814322290.db2.gz FBSKKGSVWRETRK-LLVKDONJSA-N 2 0 286.420 -0.195 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133906242 814323039 /nfs/dbraw/zinc/32/30/39/814323039.db2.gz RTNZLALQPASTPA-GFCCVEGCSA-N 2 0 289.420 -0.323 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CCNC(=O)C1CC1)[NH+](C)C ZINC001133966263 814330925 /nfs/dbraw/zinc/33/09/25/814330925.db2.gz ZWZAANBYVWITMM-LBPRGKRZSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1)[NH+](C)C ZINC001133967708 814331569 /nfs/dbraw/zinc/33/15/69/814331569.db2.gz APIBMHNJGTVSLB-OLZOCXBDSA-N 2 0 297.403 -0.710 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133968225 814331872 /nfs/dbraw/zinc/33/18/72/814331872.db2.gz RZGNNIYTANCPPZ-NEPJUHHUSA-N 2 0 286.420 -0.053 20 0 CBADRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(N)=O ZINC001134613063 814400153 /nfs/dbraw/zinc/40/01/53/814400153.db2.gz RWMVQNPKAJSHIB-MNOVXSKESA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001134762778 814411393 /nfs/dbraw/zinc/41/13/93/814411393.db2.gz GCTVELXUCISBFJ-STQMWFEESA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001134762560 814411711 /nfs/dbraw/zinc/41/17/11/814411711.db2.gz BUXKPYIBODBRGN-VXGBXAGGSA-N 2 0 284.404 -0.171 20 0 CBADRP C[NH+]1CCC(CC(=O)NCC[NH2+][C@H]2CCCNC2=O)CC1 ZINC001134780720 814412432 /nfs/dbraw/zinc/41/24/32/814412432.db2.gz SYGHVDQYKZSVSV-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH+]1CCC(CC(=O)NCC[NH2+]CC(=O)N2CCC2)CC1 ZINC001134776672 814413070 /nfs/dbraw/zinc/41/30/70/814413070.db2.gz VFQFWSAXLRHWKU-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780412 814413202 /nfs/dbraw/zinc/41/32/02/814413202.db2.gz FSRMIFSVIMLMSB-CYBMUJFWSA-N 2 0 287.404 -0.569 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298436 814460802 /nfs/dbraw/zinc/46/08/02/814460802.db2.gz MHKJJQXFVQMIAF-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(N)=O ZINC001135298345 814461023 /nfs/dbraw/zinc/46/10/23/814461023.db2.gz LMHCRBUFHIWDQJ-MNOVXSKESA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC1CC1)C1CC1 ZINC001159914231 815605003 /nfs/dbraw/zinc/60/50/03/815605003.db2.gz BRGUOASTNFMTQL-CQSZACIVSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001159929670 815605622 /nfs/dbraw/zinc/60/56/22/815605622.db2.gz IIZAJVGIZMDOGT-HZSPNIEDSA-N 3 0 297.447 -0.711 20 0 CBADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001159929671 815606048 /nfs/dbraw/zinc/60/60/48/815606048.db2.gz IIZAJVGIZMDOGT-MELADBBJSA-N 3 0 297.447 -0.711 20 0 CBADRP C[C@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)CC[NH+](C)C ZINC001135372121 814469623 /nfs/dbraw/zinc/46/96/23/814469623.db2.gz NIFHEHMXIQKGFS-WDEREUQCSA-N 2 0 297.407 -0.465 20 0 CBADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]CC(N)=O)C(C)C ZINC001135477822 814477934 /nfs/dbraw/zinc/47/79/34/814477934.db2.gz PUYBRXPWLRSGOS-GFCCVEGCSA-N 2 0 272.393 -0.456 20 0 CBADRP C[N@H+](CC(=O)NCCC[NH2+]CCOCCO)C1CCC1 ZINC001159997612 815607923 /nfs/dbraw/zinc/60/79/23/815607923.db2.gz UGJNBDJAGQSBMG-UHFFFAOYSA-N 2 0 287.404 -0.425 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001135513282 814482097 /nfs/dbraw/zinc/48/20/97/814482097.db2.gz KQZQQBFWGVSGGT-LBPRGKRZSA-N 2 0 294.403 -0.187 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]CCO ZINC001160274813 815614645 /nfs/dbraw/zinc/61/46/45/815614645.db2.gz XIUNIXRBSJNGDS-GFCCVEGCSA-N 2 0 257.378 -0.051 20 0 CBADRP CC1CC[NH+](CC(=O)NCC[NH2+][C@H]2CCCNC2=O)CC1 ZINC001135688479 814511753 /nfs/dbraw/zinc/51/17/53/814511753.db2.gz RUSHKCUJXHUEJT-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001135743499 814517537 /nfs/dbraw/zinc/51/75/37/814517537.db2.gz LKTVFNNJOSHCDT-NEPJUHHUSA-N 2 0 286.420 -0.053 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)N1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001160403674 815618454 /nfs/dbraw/zinc/61/84/54/815618454.db2.gz DQIXZEIVJPKQMF-BFHYXJOUSA-N 2 0 297.399 -0.423 20 0 CBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001160427836 815619090 /nfs/dbraw/zinc/61/90/90/815619090.db2.gz VGGHJGRSQZUZER-ZDUSSCGKSA-N 2 0 296.419 -0.003 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160426680 815619230 /nfs/dbraw/zinc/61/92/30/815619230.db2.gz ISTMKOOGCHBDAQ-RYUDHWBXSA-N 2 0 286.420 -0.197 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001135861222 814532058 /nfs/dbraw/zinc/53/20/58/814532058.db2.gz OBLZZGXGQIITKE-NEPJUHHUSA-N 2 0 286.420 -0.053 20 0 CBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001160420551 815619629 /nfs/dbraw/zinc/61/96/29/815619629.db2.gz GOAQHLMOXRCWSO-LBPRGKRZSA-N 2 0 297.407 -0.608 20 0 CBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CCn1cncn1)[NH+](C)C ZINC001160426670 815619694 /nfs/dbraw/zinc/61/96/94/815619694.db2.gz IQWYZWSHFQYKBX-ZDUSSCGKSA-N 2 0 296.419 -0.040 20 0 CBADRP C[C@H](C[C@H](C)NC(=O)COCC[NH+](C)C)[NH2+]CCO ZINC001135928540 814538539 /nfs/dbraw/zinc/53/85/39/814538539.db2.gz XZFDVYNLXBTOOK-NEPJUHHUSA-N 2 0 275.393 -0.570 20 0 CBADRP C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(N)=O ZINC001135938415 814538899 /nfs/dbraw/zinc/53/88/99/814538899.db2.gz IZALGKRTJKMKJZ-MNOVXSKESA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H](C[C@H](C)[NH2+]CCO)NC(=O)COCC[NH+](C)C ZINC001135928542 814539445 /nfs/dbraw/zinc/53/94/45/814539445.db2.gz XZFDVYNLXBTOOK-RYUDHWBXSA-N 2 0 275.393 -0.570 20 0 CBADRP C[C@H](C[C@H](C)NC(=O)COCC[NH+](C)C)[NH2+]CCCO ZINC001135922934 814539473 /nfs/dbraw/zinc/53/94/73/814539473.db2.gz DIKODHDQTNRVIS-OLZOCXBDSA-N 2 0 289.420 -0.180 20 0 CBADRP C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938414 814539510 /nfs/dbraw/zinc/53/95/10/814539510.db2.gz IZALGKRTJKMKJZ-GHMZBOCLSA-N 2 0 282.388 -0.560 20 0 CBADRP COC[C@@H](C)[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135963653 814541327 /nfs/dbraw/zinc/54/13/27/814541327.db2.gz XMVDREPRIVLOFQ-GFCCVEGCSA-N 2 0 287.404 -0.162 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC001141653983 814662994 /nfs/dbraw/zinc/66/29/94/814662994.db2.gz LUKVCSXQAOGJTO-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC001141653982 814663479 /nfs/dbraw/zinc/66/34/79/814663479.db2.gz LUKVCSXQAOGJTO-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP Cc1nnc(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])o1 ZINC001142001997 814679710 /nfs/dbraw/zinc/67/97/10/814679710.db2.gz PFWXPPUIQWOUEX-UHFFFAOYSA-N 2 0 254.294 -0.619 20 0 CBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H](C)[NH3+])CC[C@@H]2C1 ZINC001159637138 815582298 /nfs/dbraw/zinc/58/22/98/815582298.db2.gz XLGBWTHBZSCBSP-JHJVBQTASA-N 2 0 285.388 -0.471 20 0 CBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H](C)C[NH3+])CC[C@@H]2C1 ZINC001159634776 815582451 /nfs/dbraw/zinc/58/24/51/815582451.db2.gz DEQJNQKUBNLLTQ-BFHYXJOUSA-N 2 0 299.415 -0.223 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@H]1Nc1nccc(C2CC[NH2+]CC2)n1 ZINC001159677765 815586907 /nfs/dbraw/zinc/58/69/07/815586907.db2.gz LXYHXSHHMDWOER-WCQYABFASA-N 2 0 277.372 -0.064 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)CCN1CC[NH+](C)CC1 ZINC001143231690 814764366 /nfs/dbraw/zinc/76/43/66/814764366.db2.gz PNCNBZSDMVYKLC-CQSZACIVSA-N 2 0 298.431 -0.587 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@@H]1Nc1ccc(OC2CC[NH2+]CC2)nn1 ZINC001159684183 815588564 /nfs/dbraw/zinc/58/85/64/815588564.db2.gz ZPNNETGIMIBIEU-JQWIXIFHSA-N 2 0 293.371 -0.400 20 0 CBADRP CN(CC(=O)NC1CCN(c2cc[nH+]cc2)CC1)C(N)=[NH2+] ZINC001144143236 814773794 /nfs/dbraw/zinc/77/37/94/814773794.db2.gz QVTVUALDGOJQQJ-UHFFFAOYSA-N 2 0 290.371 -0.008 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146339709 814837491 /nfs/dbraw/zinc/83/74/91/814837491.db2.gz MWZMRMPVWMQQCD-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](C[C@H](C)[NH2+]CCO)NC(=O)C[NH+]1CCCC1 ZINC001146408722 814838176 /nfs/dbraw/zinc/83/81/76/814838176.db2.gz ONZHBTCWUYNYON-NWDGAFQWSA-N 2 0 257.378 -0.053 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001146709672 814843448 /nfs/dbraw/zinc/84/34/48/814843448.db2.gz ARWCSUKPUOHLQI-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001146710235 814843781 /nfs/dbraw/zinc/84/37/81/814843781.db2.gz GXAYQZKRVJLRNG-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NCC(C)C ZINC001146710267 814844186 /nfs/dbraw/zinc/84/41/86/814844186.db2.gz INVPNGIEPSCQAL-UHFFFAOYSA-N 2 0 286.420 -0.194 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146719586 814844797 /nfs/dbraw/zinc/84/47/97/814844797.db2.gz QUDDBOUAXLHCGU-UHFFFAOYSA-N 2 0 272.393 -0.488 20 0 CBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146719693 814845719 /nfs/dbraw/zinc/84/57/19/814845719.db2.gz UXQAMPNFCWHZEL-LBPRGKRZSA-N 2 0 286.420 -0.051 20 0 CBADRP CN(C)c1ncc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])o1 ZINC001147055829 814871916 /nfs/dbraw/zinc/87/19/16/814871916.db2.gz ZBFDLCUKYHQULJ-UHFFFAOYSA-N 2 0 268.321 -0.185 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001147301442 814887934 /nfs/dbraw/zinc/88/79/34/814887934.db2.gz YIVQGLOGNMAZDX-LLVKDONJSA-N 2 0 296.415 -0.312 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1[nH]nnc1C ZINC001147577902 814902294 /nfs/dbraw/zinc/90/22/94/814902294.db2.gz YTTRUFDWAZRDSC-UHFFFAOYSA-N 2 0 267.337 -0.209 20 0 CBADRP Cc1cc(C[NH2+]CCNC(=O)COCC[NH+](C)C)on1 ZINC001147842093 814919545 /nfs/dbraw/zinc/91/95/45/814919545.db2.gz MASKQQOAWLOFJD-UHFFFAOYSA-N 2 0 284.360 -0.233 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)COCC[NH+](C)C)c1cnccn1 ZINC001147848076 814920240 /nfs/dbraw/zinc/92/02/40/814920240.db2.gz FHVIUJJZVNFJRZ-GFCCVEGCSA-N 2 0 295.387 -0.178 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001147877020 814920812 /nfs/dbraw/zinc/92/08/12/814920812.db2.gz CFUIFBIWDYIXPF-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H]1CC[C@H](C[NH2+]CCNC(=O)COCC[NH+](C)C)O1 ZINC001147848872 814921189 /nfs/dbraw/zinc/92/11/89/814921189.db2.gz YAGFXBUWEUVBBP-QWHCGFSZSA-N 2 0 287.404 -0.162 20 0 CBADRP COCCC[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147848359 814921270 /nfs/dbraw/zinc/92/12/70/814921270.db2.gz LTSRLVUJIAICCO-UHFFFAOYSA-N 2 0 261.366 -0.693 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147877914 814921887 /nfs/dbraw/zinc/92/18/87/814921887.db2.gz PLTGAYNOAPEBLX-LLVKDONJSA-N 2 0 270.377 -0.878 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001147877632 814921914 /nfs/dbraw/zinc/92/19/14/814921914.db2.gz NDRKEJYUWBWVHS-CYBMUJFWSA-N 2 0 296.415 -0.344 20 0 CBADRP CN1CCC[C@H]([NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001147884258 814922315 /nfs/dbraw/zinc/92/23/15/814922315.db2.gz CJTBARSMYXUARX-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147877603 814922422 /nfs/dbraw/zinc/92/24/22/814922422.db2.gz MLEVMGONERBTMU-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CN1CCC[C@@H]([NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001147884257 814922537 /nfs/dbraw/zinc/92/25/37/814922537.db2.gz CJTBARSMYXUARX-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)N2CCC2)C1 ZINC001147878418 814922609 /nfs/dbraw/zinc/92/26/09/814922609.db2.gz YHENBTKZQLCHGG-LBPRGKRZSA-N 2 0 282.388 -0.734 20 0 CBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC001147892083 814924076 /nfs/dbraw/zinc/92/40/76/814924076.db2.gz HWRRGJSIWNHTJF-UKRRQHHQSA-N 2 0 299.415 -0.303 20 0 CBADRP OC[C@H]1C[NH2+]C[C@H]1Nc1ccc(OC2CC[NH2+]CC2)nn1 ZINC001159684185 815589422 /nfs/dbraw/zinc/58/94/22/815589422.db2.gz ZPNNETGIMIBIEU-ZYHUDNBSSA-N 2 0 293.371 -0.400 20 0 CBADRP CC[C@]([NH3+])(CO)Nc1nccc(N2CCC([NH3+])CC2)n1 ZINC001159744072 815592037 /nfs/dbraw/zinc/59/20/37/815592037.db2.gz NUIQDSHYUOUFHO-CYBMUJFWSA-N 2 0 280.376 -0.127 20 0 CBADRP CC[C@@]([NH3+])(CO)Nc1nccc(N2CCC([NH3+])CC2)n1 ZINC001159744073 815592545 /nfs/dbraw/zinc/59/25/45/815592545.db2.gz NUIQDSHYUOUFHO-ZDUSSCGKSA-N 2 0 280.376 -0.127 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159915050 815603927 /nfs/dbraw/zinc/60/39/27/815603927.db2.gz GXYIUWDCNHGXGY-GFCCVEGCSA-N 2 0 270.377 -0.832 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001159915002 815604311 /nfs/dbraw/zinc/60/43/11/815604311.db2.gz FUQGLFMSRHBKRJ-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP Cn1cnnc1C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159917456 815604615 /nfs/dbraw/zinc/60/46/15/815604615.db2.gz WVLSGSFXHUMGJO-ZDUSSCGKSA-N 2 0 294.403 -0.249 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001159915000 815604784 /nfs/dbraw/zinc/60/47/84/815604784.db2.gz FUQGLFMSRHBKRJ-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C)C(N)=O ZINC001160428286 815621357 /nfs/dbraw/zinc/62/13/57/815621357.db2.gz YVLHHBYGKLGXGL-NEPJUHHUSA-N 2 0 286.420 -0.068 20 0 CBADRP C[C@H]1C(=O)NCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160451522 815623437 /nfs/dbraw/zinc/62/34/37/815623437.db2.gz QBMAIPUSKFMTFI-WDEREUQCSA-N 2 0 280.372 -0.793 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001160454262 815623924 /nfs/dbraw/zinc/62/39/24/815623924.db2.gz LCMCLNQLTDGNGL-RYUDHWBXSA-N 2 0 255.362 -0.491 20 0 CBADRP Cc1cc(CN(C)C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)n(C)n1 ZINC001160475533 815626108 /nfs/dbraw/zinc/62/61/08/815626108.db2.gz QNDDPXYSSCXNKD-IUODEOHRSA-N 2 0 291.399 -0.114 20 0 CBADRP CC[NH+](CC)C1CCN(C(=O)[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001160484160 815628070 /nfs/dbraw/zinc/62/80/70/815628070.db2.gz ZJAJFVGBYNPWGX-QWHCGFSZSA-N 2 0 269.389 -0.101 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCn2cccc2C1 ZINC001160477414 815628246 /nfs/dbraw/zinc/62/82/46/815628246.db2.gz ZJUNHCNLAQMSKM-NSHDSACASA-N 2 0 268.386 -0.151 20 0 CBADRP CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C1CCOCC1 ZINC001160492838 815629766 /nfs/dbraw/zinc/62/97/66/815629766.db2.gz IHQCDJPNINEOST-AWEZNQCLSA-N 2 0 298.431 -0.236 20 0 CBADRP CNC(=O)c1ccc(N[C@@]2(C[NH3+])CN3CCC2CC3)nn1 ZINC001160517054 815632489 /nfs/dbraw/zinc/63/24/89/815632489.db2.gz AQHRVPHBOLARMK-AWEZNQCLSA-N 2 0 290.371 -0.329 20 0 CBADRP Cn1nnc2c1ncnc2N[C@@]1(C[NH3+])CN2CCC1CC2 ZINC001160517114 815632627 /nfs/dbraw/zinc/63/26/27/815632627.db2.gz BDRQDPBCFTWESY-ZDUSSCGKSA-N 2 0 288.359 -0.407 20 0 CBADRP [NH3+]C[C@]1(Nc2ncc3c(n2)CC[NH2+]C3)CN2CCC1CC2 ZINC001160512412 815633022 /nfs/dbraw/zinc/63/30/22/815633022.db2.gz VKAFBQUMFBICHV-HNNXBMFYSA-N 3 0 288.399 -0.043 20 0 CBADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001160539620 815633686 /nfs/dbraw/zinc/63/36/86/815633686.db2.gz YPPCIESEBKXPBS-NXEZZACHSA-N 3 0 278.360 -0.507 20 0 CBADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC(CO)C1 ZINC001160531532 815633716 /nfs/dbraw/zinc/63/37/16/815633716.db2.gz SESXYEATLDNGRH-LLVKDONJSA-N 2 0 253.346 -0.689 20 0 CBADRP CN(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C1COC1 ZINC001160541441 815635052 /nfs/dbraw/zinc/63/50/52/815635052.db2.gz BZQGXCGAQLQRGF-NSHDSACASA-N 2 0 253.346 -0.282 20 0 CBADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@]1(N)CC[NH2+]C1 ZINC001160542489 815635361 /nfs/dbraw/zinc/63/53/61/815635361.db2.gz YLFJGLUAQOAVFB-RNCFNFMXSA-N 2 0 276.344 -0.882 20 0 CBADRP CCOC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCO1 ZINC001160596178 815642980 /nfs/dbraw/zinc/64/29/80/815642980.db2.gz LFEHALXKQDRFHG-NEPJUHHUSA-N 2 0 299.371 -0.896 20 0 CBADRP O=C(N1CCC[C@@H](CCO)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160610410 815645223 /nfs/dbraw/zinc/64/52/23/815645223.db2.gz CCRYMNSHVBDQKL-GZBFAFLISA-N 2 0 281.400 -0.194 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC[C@H](CCO)C1 ZINC001160610934 815645621 /nfs/dbraw/zinc/64/56/21/815645621.db2.gz PHUVCRGSLWHRTD-MNOVXSKESA-N 2 0 275.418 -0.373 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC001160638479 815648528 /nfs/dbraw/zinc/64/85/28/815648528.db2.gz UMSAGUMKRNTOLT-NEPJUHHUSA-N 2 0 280.376 -0.102 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCO1 ZINC001160643158 815650165 /nfs/dbraw/zinc/65/01/65/815650165.db2.gz AEOKYOSSQWYSTC-RYUDHWBXSA-N 3 0 282.388 -0.953 20 0 CBADRP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC001160643949 815650221 /nfs/dbraw/zinc/65/02/21/815650221.db2.gz QWUHDPRYRCENLU-WOPDTQHZSA-N 2 0 285.388 -0.282 20 0 CBADRP C[NH+](C)C1(C)CN(C(=O)[C@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001160644568 815650598 /nfs/dbraw/zinc/65/05/98/815650598.db2.gz HENLKEXVPRCTKS-SNVBAGLBSA-N 2 0 251.334 -0.558 20 0 CBADRP C[C@H]1CC(=O)CCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160642897 815650877 /nfs/dbraw/zinc/65/08/77/815650877.db2.gz RCFCUQHUVFYXIJ-GXFFZTMASA-N 2 0 282.388 -0.683 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160650188 815651557 /nfs/dbraw/zinc/65/15/57/815651557.db2.gz STUYABVGJWGOPL-TUAOUCFPSA-N 3 0 274.384 -0.057 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160647280 815652066 /nfs/dbraw/zinc/65/20/66/815652066.db2.gz FCZKWVPLSUSLFI-AXFHLTTASA-N 2 0 269.324 -0.812 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CO[C@@]3(C2)CCC[NH2+]CC3)C[C@H]1O ZINC001160652873 815652654 /nfs/dbraw/zinc/65/26/54/815652654.db2.gz PEEFWHKHLFPCSB-JLNYLFASSA-N 2 0 297.399 -0.544 20 0 CBADRP C[C@@H]1C[C@H](O)CCN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001160654768 815653173 /nfs/dbraw/zinc/65/31/73/815653173.db2.gz BGJKIJNYEGGREY-YUSALJHKSA-N 2 0 255.362 -0.315 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC(=O)C(F)(F)C1 ZINC001160662687 815654440 /nfs/dbraw/zinc/65/44/40/815654440.db2.gz BNRMMRTWGXYWGD-QMMMGPOBSA-N 2 0 263.288 -0.121 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H](N)CC[NH3+])CC1 ZINC001160669321 815655664 /nfs/dbraw/zinc/65/56/64/815655664.db2.gz AZKCWQHUEHRPAA-LBPRGKRZSA-N 2 0 284.404 -0.624 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@]2(N)CC[NH2+]C2)CC1 ZINC001160670166 815655782 /nfs/dbraw/zinc/65/57/82/815655782.db2.gz UTCOEHAYZJDJGJ-HNNXBMFYSA-N 2 0 296.415 -0.610 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001160687265 815657139 /nfs/dbraw/zinc/65/71/39/815657139.db2.gz BDCHKRZDZWNZMX-GFCCVEGCSA-N 2 0 265.361 -0.166 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001160687727 815657209 /nfs/dbraw/zinc/65/72/09/815657209.db2.gz IMUNBEMXICTGAI-BBATYDOGSA-N 2 0 275.418 -0.364 20 0 CBADRP CN(CCC1OCCO1)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160684229 815657522 /nfs/dbraw/zinc/65/75/22/815657522.db2.gz RYKCIWJDZJDGTQ-VIFPVBQESA-N 2 0 277.390 -0.773 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001160695651 815658574 /nfs/dbraw/zinc/65/85/74/815658574.db2.gz NYPKHXPUUVMDOR-YRGRVCCFSA-N 2 0 266.389 -0.604 20 0 CBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160694696 815659136 /nfs/dbraw/zinc/65/91/36/815659136.db2.gz DCLSUAZYCVWLQL-NWDGAFQWSA-N 3 0 266.389 -0.747 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C[C@H]2C1 ZINC001160703879 815660078 /nfs/dbraw/zinc/66/00/78/815660078.db2.gz GQZBQFCTXSHNDS-DPNGTGFASA-N 2 0 273.402 -0.898 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)C[C@H]1COCC[NH2+]1 ZINC001160699043 815660598 /nfs/dbraw/zinc/66/05/98/815660598.db2.gz YMNSIERBTQLHFF-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C[C@H]2C1 ZINC001160704617 815661940 /nfs/dbraw/zinc/66/19/40/815661940.db2.gz MKTOFZOHUPWOCH-QVHKTLOISA-N 3 0 278.400 -0.795 20 0 CBADRP COC(=O)[C@H](C)N(C)C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001160718393 815663032 /nfs/dbraw/zinc/66/30/32/815663032.db2.gz IXNXODJRMIDKQZ-UWVGGRQHSA-N 2 0 259.350 -0.147 20 0 CBADRP COC(=O)[C@H](C)N(C)C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160718359 815663177 /nfs/dbraw/zinc/66/31/77/815663177.db2.gz GFTWHEODFLSTFP-WDEREUQCSA-N 2 0 283.372 -0.120 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC(n2cnnc2)CC1 ZINC001160723041 815663492 /nfs/dbraw/zinc/66/34/92/815663492.db2.gz WXVUSYOHYRDLFR-LBPRGKRZSA-N 2 0 280.376 -0.102 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C1CCS(=O)(=O)CC1 ZINC001160718911 815663583 /nfs/dbraw/zinc/66/35/83/815663583.db2.gz XKCZWOXLQBDKAQ-NSHDSACASA-N 2 0 291.417 -0.522 20 0 CBADRP CCN(CC(C)(C)O)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160755672 815667460 /nfs/dbraw/zinc/66/74/60/815667460.db2.gz ODBWNRKVQUNMMO-LBPRGKRZSA-N 2 0 286.420 -0.644 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(C[C@H](F)CO2)CC1 ZINC001160786764 815672068 /nfs/dbraw/zinc/67/20/68/815672068.db2.gz IBLLWGFJIXYECC-NWDGAFQWSA-N 2 0 297.374 -0.085 20 0 CBADRP CCOC(=O)[C@]12CN(C(=O)CC[NH2+]C)C[C@H]1C[NH2+]CC2 ZINC001160812145 815673585 /nfs/dbraw/zinc/67/35/85/815673585.db2.gz IFGQJMLXIXSFKB-BXUZGUMPSA-N 2 0 283.372 -0.403 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCn2nncc2C1 ZINC001160831780 815674492 /nfs/dbraw/zinc/67/44/92/815674492.db2.gz CYPIELWWZCFQCD-NSHDSACASA-N 2 0 266.349 -0.663 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160838625 815675911 /nfs/dbraw/zinc/67/59/11/815675911.db2.gz LAVQEFCXQFMZBT-NEPJUHHUSA-N 3 0 272.393 -0.768 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@]1(C)CC[NH2+]C1 ZINC001160839383 815676021 /nfs/dbraw/zinc/67/60/21/815676021.db2.gz PHKYGMZSCDVFEQ-DGCLKSJQSA-N 2 0 255.362 -0.225 20 0 CBADRP COC(=O)C[C@H]1CCCN(C(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001160833918 815676077 /nfs/dbraw/zinc/67/60/77/815676077.db2.gz VFSKHMMMJMSJIK-GHMZBOCLSA-N 2 0 271.361 -0.146 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCOC[C@@H]1C[NH+](C)C ZINC001160838834 815676112 /nfs/dbraw/zinc/67/61/12/815676112.db2.gz ORJRWSBLLROPAE-STQMWFEESA-N 3 0 286.420 -0.508 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001160837921 815676338 /nfs/dbraw/zinc/67/63/38/815676338.db2.gz FVDJCVHUOJZLHD-STQMWFEESA-N 3 0 286.420 -0.378 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001160838687 815676400 /nfs/dbraw/zinc/67/64/00/815676400.db2.gz NYESKAITVDYJIB-TUAOUCFPSA-N 2 0 273.352 -0.135 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1C(=O)CNC1CC[NH2+]CC1 ZINC001160837222 815676566 /nfs/dbraw/zinc/67/65/66/815676566.db2.gz FLTFARAPONHUQU-ZDUSSCGKSA-N 2 0 284.404 -0.883 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001160840656 815677652 /nfs/dbraw/zinc/67/76/52/815677652.db2.gz YYWGCAPICFUDFG-VXGBXAGGSA-N 2 0 281.360 -0.932 20 0 CBADRP CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)C[C@@H]21 ZINC001160883375 815683689 /nfs/dbraw/zinc/68/36/89/815683689.db2.gz KIFPJYYBXOGSOP-LOWDOPEQSA-N 2 0 295.383 -0.419 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+][C@H]1CCCNC1=O)[NH+](C)C ZINC001160883857 815685904 /nfs/dbraw/zinc/68/59/04/815685904.db2.gz WVELMQHRNAFUKX-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915521 815686475 /nfs/dbraw/zinc/68/64/75/815686475.db2.gz BVHVHTZUVXEELI-JTQLQIEISA-N 2 0 277.328 -0.840 20 0 CBADRP C[C@@]1(C(=O)N(c2ncccn2)C2C[NH2+]C2)CC[NH2+]C1 ZINC001160916197 815688517 /nfs/dbraw/zinc/68/85/17/815688517.db2.gz XERJQOABUMIIIO-CYBMUJFWSA-N 2 0 261.329 -0.219 20 0 CBADRP C[C@H]1CN(C)C(=O)CN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160940788 815690275 /nfs/dbraw/zinc/69/02/75/815690275.db2.gz GSPXWXZJZJMVJN-RYUDHWBXSA-N 2 0 294.399 -0.450 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)C[C@H]1COCC[NH2+]1)C2 ZINC001160964587 815690908 /nfs/dbraw/zinc/69/09/08/815690908.db2.gz QGCNNIHERVSGFX-MBNYWOFBSA-N 2 0 267.373 -0.225 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160966815 815691650 /nfs/dbraw/zinc/69/16/50/815691650.db2.gz CHJKDXLWRNRDOG-ZJUUUORDSA-N 3 0 278.347 -0.102 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160967023 815691833 /nfs/dbraw/zinc/69/18/33/815691833.db2.gz IRFYQEUXIYZKSM-JGVFFNPUSA-N 3 0 250.293 -0.753 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C2 ZINC001160965810 815691880 /nfs/dbraw/zinc/69/18/80/815691880.db2.gz YLJUEDOZCIBRJW-RDUAZDEBSA-N 2 0 287.429 -0.508 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]1C[C@@H]([NH3+])CN1)C2 ZINC001160962866 815691895 /nfs/dbraw/zinc/69/18/95/815691895.db2.gz FXTCTQUDCRXEBQ-HNCHTBHHSA-N 2 0 252.362 -0.914 20 0 CBADRP C[NH+]1CCC2(CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)CC2)CC1 ZINC001160993566 815693198 /nfs/dbraw/zinc/69/31/98/815693198.db2.gz WUZDEANLGYETQZ-STQMWFEESA-N 2 0 280.416 -0.133 20 0 CBADRP N[C@]1(C(=O)N2C[C@@H]([NH3+])CC(F)(F)C2)CCC[NH2+]C1 ZINC001160971535 815693586 /nfs/dbraw/zinc/69/35/86/815693586.db2.gz IOTUJACNGTYVMT-WCBMZHEXSA-N 2 0 262.304 -0.738 20 0 CBADRP O=C([C@@H]1CC[NH2+]C[C@H]1F)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161007957 815694643 /nfs/dbraw/zinc/69/46/43/815694643.db2.gz LYJIWKKMWNVCQC-UTUOFQBUSA-N 2 0 285.363 -0.351 20 0 CBADRP CC(C)[C@H](C[NH3+])C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001669 815694721 /nfs/dbraw/zinc/69/47/21/815694721.db2.gz ZFUVYJHXQDEPFT-NWDGAFQWSA-N 2 0 269.389 -0.067 20 0 CBADRP C[C@@]1(C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)CC[NH2+]C1 ZINC001161008052 815695091 /nfs/dbraw/zinc/69/50/91/815695091.db2.gz NKGIZNGBOIIPCO-DGCLKSJQSA-N 2 0 267.373 -0.299 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC001161017152 815696815 /nfs/dbraw/zinc/69/68/15/815696815.db2.gz IDRCKNRCHMPHAX-MNOVXSKESA-N 2 0 270.377 -0.704 20 0 CBADRP C[NH2+][C@H]1CCCN(CC(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC001161016957 815696932 /nfs/dbraw/zinc/69/69/32/815696932.db2.gz CVIPZIKLDFEUEW-NEPJUHHUSA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CC[C@@]3(C2)C[NH2+]CCO3)CC[NH2+]1 ZINC001161016379 815697003 /nfs/dbraw/zinc/69/70/03/815697003.db2.gz YUOFEVZNIHBMTB-MBNYWOFBSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H]1CN(C(=O)c2cnc3n2CC[NH2+]CC3)CC[NH2+]1 ZINC001161023411 815698688 /nfs/dbraw/zinc/69/86/88/815698688.db2.gz IZYZILFAIHWLGI-SNVBAGLBSA-N 2 0 263.345 -0.537 20 0 CBADRP CC(=O)[C@@H]1CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161037959 815701069 /nfs/dbraw/zinc/70/10/69/815701069.db2.gz CEJFHZQSCJGEHL-NEPJUHHUSA-N 2 0 253.346 -0.249 20 0 CBADRP CC(=O)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161034900 815701147 /nfs/dbraw/zinc/70/11/47/815701147.db2.gz OYKFNOZSOPXCDW-GHMZBOCLSA-N 2 0 251.330 -0.767 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161032022 815701513 /nfs/dbraw/zinc/70/15/13/815701513.db2.gz AOGUTTAIDFXHGS-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CC(=O)[C@H]1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001161039225 815702157 /nfs/dbraw/zinc/70/21/57/815702157.db2.gz NZYUWCASXVXSBB-UWVGGRQHSA-N 2 0 259.375 -0.557 20 0 CBADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001161049229 815703553 /nfs/dbraw/zinc/70/35/53/815703553.db2.gz DHCIQKOMOFOTPQ-VXGBXAGGSA-N 3 0 256.394 -0.006 20 0 CBADRP Cn1cc(C[NH2+]CCCNC(=O)[C@H]2CCCC[N@@H+]2C)nn1 ZINC001161041769 815703896 /nfs/dbraw/zinc/70/38/96/815703896.db2.gz LPARZQKGQBJLSO-CYBMUJFWSA-N 2 0 294.403 -0.105 20 0 CBADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@]2(N)CC[NH2+]C2)C1 ZINC001161050054 815703998 /nfs/dbraw/zinc/70/39/98/815703998.db2.gz KIONQWBNVPHWEZ-AAEUAGOBSA-N 2 0 254.378 -0.382 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[C@@H]([N@@H+](C)C(C)C)C1 ZINC001161051391 815705036 /nfs/dbraw/zinc/70/50/36/815705036.db2.gz UWNJIYHRVYCIFZ-NEPJUHHUSA-N 2 0 271.361 -0.182 20 0 CBADRP CN(C(=O)[C@@H]1COC2(C[NH2+]C2)CN1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161058533 815705115 /nfs/dbraw/zinc/70/51/15/815705115.db2.gz XGEQWXXAJQKIGC-WOPDTQHZSA-N 2 0 282.388 -0.955 20 0 CBADRP CN(C(=O)CN1CC[NH2+]CC1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161061624 815706110 /nfs/dbraw/zinc/70/61/10/815706110.db2.gz HUMQYQVOHUTBMP-VXGBXAGGSA-N 2 0 254.378 -0.380 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161060228 815706186 /nfs/dbraw/zinc/70/61/86/815706186.db2.gz ALDLXHYGTODNTE-CKPCYDFHSA-N 2 0 275.418 -0.189 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@]3(N)CCC[NH2+]C3)C[C@@H]21 ZINC001161081135 815708618 /nfs/dbraw/zinc/70/86/18/815708618.db2.gz FSLCARNIYHQSLC-MBNYWOFBSA-N 2 0 266.389 -0.380 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)C[C@H]21 ZINC001161081087 815708788 /nfs/dbraw/zinc/70/87/88/815708788.db2.gz DOKHGLARICGYSR-WHOHXGKFSA-N 2 0 252.362 -0.772 20 0 CBADRP Nc1ccc2c(c1)CN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001161077181 815708828 /nfs/dbraw/zinc/70/88/28/815708828.db2.gz RKTPCGVOPAAHJN-AWEZNQCLSA-N 2 0 286.379 -0.038 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3cnc[nH]3)C[C@@H]21 ZINC001161081355 815709420 /nfs/dbraw/zinc/70/94/20/815709420.db2.gz ITJSUPIDGDNUIN-WXHSDQCUSA-N 2 0 277.372 -0.168 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@]3(N)CCC[NH2+]C3)C[C@H]21 ZINC001161081133 815709580 /nfs/dbraw/zinc/70/95/80/815709580.db2.gz FSLCARNIYHQSLC-BZPMIXESSA-N 2 0 266.389 -0.380 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@]3(N)CC[NH2+]C3)C[C@@H]21 ZINC001161080983 815709589 /nfs/dbraw/zinc/70/95/89/815709589.db2.gz AQCWLWTVBRHWDR-NTZNESFSSA-N 2 0 252.362 -0.770 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CCN4)C[C@@H]21 ZINC001161081447 815709748 /nfs/dbraw/zinc/70/97/48/815709748.db2.gz KHXZYZJDSHXFKM-OSFYFWSMSA-N 2 0 278.400 -0.510 20 0 CBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161084245 815711157 /nfs/dbraw/zinc/71/11/57/815711157.db2.gz DMDABXQKDVNBRK-DCAQKATOSA-N 2 0 279.340 -0.613 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@@H]21 ZINC001161081871 815711661 /nfs/dbraw/zinc/71/16/61/815711661.db2.gz MHOPJWZWXQOMBP-BJDJZHNGSA-N 2 0 253.346 -0.738 20 0 CBADRP CCOC(=O)[C@@H]1COCCN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001161093315 815714804 /nfs/dbraw/zinc/71/48/04/815714804.db2.gz LCBOKWZWGVTBHG-NWDGAFQWSA-N 2 0 299.371 -0.896 20 0 CBADRP CCOC(=O)[C@H]1COCCN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001161093318 815714901 /nfs/dbraw/zinc/71/49/01/815714901.db2.gz LCBOKWZWGVTBHG-VXGBXAGGSA-N 2 0 299.371 -0.896 20 0 CBADRP CC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161129434 815717626 /nfs/dbraw/zinc/71/76/26/815717626.db2.gz FTOYEJJQXCJBJM-KBPBESRZSA-N 2 0 296.415 -0.217 20 0 CBADRP CCN(CCC(=O)OC)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161132693 815718177 /nfs/dbraw/zinc/71/81/77/815718177.db2.gz RNUDXZPSGROROM-BXUZGUMPSA-N 2 0 283.372 -0.403 20 0 CBADRP CC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001161131086 815718881 /nfs/dbraw/zinc/71/88/81/815718881.db2.gz NQEXJPQYALGXKC-RYUDHWBXSA-N 2 0 270.377 -0.478 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C(=O)C[C@H]1COCC[NH2+]1 ZINC001161157820 815722884 /nfs/dbraw/zinc/72/28/84/815722884.db2.gz KTCKTUUOLDCFAD-NSHDSACASA-N 2 0 287.360 -0.895 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@]12CC[C@@H]1C[NH2+]C2 ZINC001161157547 815723245 /nfs/dbraw/zinc/72/32/45/815723245.db2.gz FSBCRKNYBDKLRD-RISCZKNCSA-N 2 0 283.372 -0.274 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@]12CC[C@@H]1C[NH2+]C2 ZINC001161157543 815723685 /nfs/dbraw/zinc/72/36/85/815723685.db2.gz FSBCRKNYBDKLRD-BXUZGUMPSA-N 2 0 283.372 -0.274 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001161158229 815723832 /nfs/dbraw/zinc/72/38/32/815723832.db2.gz RUCMESQTOQRPFG-MNOVXSKESA-N 2 0 289.351 -0.326 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)C[C@H]2C1 ZINC001161174717 815725260 /nfs/dbraw/zinc/72/52/60/815725260.db2.gz DAKOCCCANANCRC-LPWJVIDDSA-N 2 0 267.373 -0.633 20 0 CBADRP C[N@@H+]1C[C@H](C(=O)N2CCC(O)CC2)OC2(CC[NH2+]CC2)C1 ZINC001161178448 815725794 /nfs/dbraw/zinc/72/57/94/815725794.db2.gz PPTUMDXBUMDZBP-CYBMUJFWSA-N 2 0 297.399 -0.578 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)C[C@@H](O)C[NH3+])C[C@H]2C1 ZINC001161176444 815726451 /nfs/dbraw/zinc/72/64/51/815726451.db2.gz UYZRSGSQYFWKCE-GRYCIOLGSA-N 2 0 255.362 -0.504 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@]3(N)CC[NH2+]C3)C[C@H]2C1 ZINC001161176267 815726541 /nfs/dbraw/zinc/72/65/41/815726541.db2.gz RPPKPDLUZAHIFK-YRGRVCCFSA-N 2 0 266.389 -0.523 20 0 CBADRP C[C@]([NH3+])(CO)C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161205846 815727692 /nfs/dbraw/zinc/72/76/92/815727692.db2.gz SUCAADPOLYAXLN-AWEZNQCLSA-N 2 0 269.389 -0.066 20 0 CBADRP CN(C(=O)CNC1CC[NH2+]CC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161218669 815728692 /nfs/dbraw/zinc/72/86/92/815728692.db2.gz KKUYGVRSQLAESN-PJXYFTJBSA-N 2 0 252.362 -0.996 20 0 CBADRP CN(C(=O)c1ccc([C@@H](N)C[NH3+])cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161221372 815728701 /nfs/dbraw/zinc/72/87/01/815728701.db2.gz MLCSZBCSJWFRHH-RFQIPJPRSA-N 2 0 274.368 -0.065 20 0 CBADRP CN(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)[C@@H]1CCC2(C1)OCCO2 ZINC001161219202 815728777 /nfs/dbraw/zinc/72/87/77/815728777.db2.gz OIDSVRLWFWSMMH-NEPJUHHUSA-N 2 0 295.383 -0.451 20 0 CBADRP C[C@H]1CN(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C[C@H](C)[NH2+]1 ZINC001161229704 815729924 /nfs/dbraw/zinc/72/99/24/815729924.db2.gz RGVVZQVDFWYWIA-ONYIWYLUSA-N 2 0 252.362 -0.583 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001161229634 815730518 /nfs/dbraw/zinc/73/05/18/815730518.db2.gz NYIOCPYXPVEILP-SRVKXCTJSA-N 2 0 284.404 -0.315 20 0 CBADRP C[C@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@@H]3CCO[C@H]32)C[C@H](C)[NH2+]1 ZINC001161231995 815730706 /nfs/dbraw/zinc/73/07/06/815730706.db2.gz WWGDJHQDMLWOAC-JZRPKSSGSA-N 2 0 267.373 -0.180 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)[C@@H](C)CO1 ZINC001161234780 815731782 /nfs/dbraw/zinc/73/17/82/815731782.db2.gz GWJXRJJGRWAINI-LOWVWBTDSA-N 2 0 284.404 -0.627 20 0 CBADRP [NH3+][C@H](C(=O)N1CCC[C@@H](n2ccnn2)C1)C1CC[NH2+]CC1 ZINC001161235067 815732317 /nfs/dbraw/zinc/73/23/17/815732317.db2.gz MVFOZGZVCNVVHD-OLZOCXBDSA-N 2 0 292.387 -0.232 20 0 CBADRP [NH3+]C[C@@]1(F)CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001161239281 815733357 /nfs/dbraw/zinc/73/33/57/815733357.db2.gz IUBKXGCBNYYNMI-YPMHNXCESA-N 3 0 284.379 -0.240 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161247020 815733804 /nfs/dbraw/zinc/73/38/04/815733804.db2.gz USRLMJBKWWOPDF-JQWIXIFHSA-N 3 0 260.357 -0.268 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001161250995 815734072 /nfs/dbraw/zinc/73/40/72/815734072.db2.gz HKYZKGONLJTWOS-UHFFFAOYSA-N 2 0 297.407 -0.464 20 0 CBADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)C1 ZINC001161245390 815734134 /nfs/dbraw/zinc/73/41/34/815734134.db2.gz DCSQXKMVSHAXJS-VNHYZAJKSA-N 2 0 298.406 -0.040 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001161251325 815734397 /nfs/dbraw/zinc/73/43/97/815734397.db2.gz OMDIZUOFSHRDGC-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161269920 815735122 /nfs/dbraw/zinc/73/51/22/815735122.db2.gz FUUMKKJBDGSPQZ-KBPBESRZSA-N 2 0 292.383 -0.128 20 0 CBADRP Cc1c[nH+]ccc1N1CCN(C(=O)[C@@]2(N)CC[NH2+]C2)CC1 ZINC001161306256 815738230 /nfs/dbraw/zinc/73/82/30/815738230.db2.gz IRCKFPBETXLWMA-OAHLLOKOSA-N 2 0 289.383 -0.271 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCC2(CCC(=O)N2)CC1)C1CC[NH2+]CC1 ZINC001161298055 815738323 /nfs/dbraw/zinc/73/83/23/815738323.db2.gz FHQAGMPLFRXQPJ-CYBMUJFWSA-N 2 0 294.399 -0.416 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC2(CCC(=O)N2)CC1 ZINC001161297513 815738672 /nfs/dbraw/zinc/73/86/72/815738672.db2.gz YHMGFWIRYIDRKX-LBPRGKRZSA-N 2 0 296.415 -0.025 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161318381 815739513 /nfs/dbraw/zinc/73/95/13/815739513.db2.gz XLUFDIUVEHIJOM-YRGRVCCFSA-N 2 0 299.415 -0.026 20 0 CBADRP CCN(C(=O)[C@@H]([NH3+])Cc1cnc[nH]1)[C@@H]1CCC[NH2+]C1 ZINC001161329186 815740038 /nfs/dbraw/zinc/74/00/38/815740038.db2.gz WHCTXJHKBMLQBN-NEPJUHHUSA-N 2 0 265.361 -0.120 20 0 CBADRP CCN(C(=O)[C@H]([NH3+])CCC(=O)OC)[C@@H]1CCC[NH2+]C1 ZINC001161332417 815741097 /nfs/dbraw/zinc/74/10/97/815741097.db2.gz MYLWTJCQQRCDTG-GHMZBOCLSA-N 2 0 271.361 -0.133 20 0 CBADRP CCN(C(=O)[C@@H]([NH3+])CCC(=O)OC)[C@H]1CCC[NH2+]C1 ZINC001161332421 815741718 /nfs/dbraw/zinc/74/17/18/815741718.db2.gz MYLWTJCQQRCDTG-QWRGUYRKSA-N 2 0 271.361 -0.133 20 0 CBADRP CCN(C(=O)[C@]1(C)CC[NH2+]C[C@H]1O)[C@@H]1CCC[NH2+]C1 ZINC001161332436 815743081 /nfs/dbraw/zinc/74/30/81/815743081.db2.gz MZOFTHLQRCRVJM-YRGRVCCFSA-N 2 0 269.389 -0.053 20 0 CBADRP CCN(C(=O)C[C@H]1COCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161337855 815744023 /nfs/dbraw/zinc/74/40/23/815744023.db2.gz APRPQFLKACNLJA-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N(CC)[C@H]1CCC[NH2+]C1 ZINC001161338309 815744129 /nfs/dbraw/zinc/74/41/29/815744129.db2.gz DJQWTZBKMHBWEE-YNEHKIRRSA-N 2 0 297.399 -0.014 20 0 CBADRP CCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCC[NH2+]C1 ZINC001161338337 815744778 /nfs/dbraw/zinc/74/47/78/815744778.db2.gz DWSPZGCUUZTECL-VXGBXAGGSA-N 2 0 255.362 -0.347 20 0 CBADRP CC(C)N(C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2)[C@H]1CC[NH2+]C1 ZINC001161350670 815745476 /nfs/dbraw/zinc/74/54/76/815745476.db2.gz AZEODHMWLPQJCJ-SGMGOOAPSA-N 2 0 266.389 -0.463 20 0 CBADRP CCN(C(=O)[C@H]1C[NH2+]CCN1C)[C@@H]1CCC[NH2+]C1 ZINC001161340257 815746444 /nfs/dbraw/zinc/74/64/44/815746444.db2.gz QEBNFDYWDHTDAD-VXGBXAGGSA-N 2 0 254.378 -0.510 20 0 CBADRP CC(C)N(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])[C@H]1CC[NH2+]C1 ZINC001161353111 815746451 /nfs/dbraw/zinc/74/64/51/815746451.db2.gz LQDDOTPDQCGCNE-RYUDHWBXSA-N 2 0 282.388 -0.465 20 0 CBADRP O=C([C@@H]1CC[NH2+]1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161382208 815748155 /nfs/dbraw/zinc/74/81/55/815748155.db2.gz UUPAVRWYMQPCAP-RYUDHWBXSA-N 2 0 253.346 -0.329 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161380470 815748248 /nfs/dbraw/zinc/74/82/48/815748248.db2.gz KKTYYWHOQCXZIV-XQQFMLRXSA-N 2 0 283.372 -0.968 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161381738 815748969 /nfs/dbraw/zinc/74/89/69/815748969.db2.gz ZKVUCMPYNBGHDO-CMPLNLGQSA-N 2 0 254.378 -0.395 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161378882 815748856 /nfs/dbraw/zinc/74/88/56/815748856.db2.gz AKNHQTJFJFNFCQ-OLZOCXBDSA-N 3 0 284.404 -0.624 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161377207 815749006 /nfs/dbraw/zinc/74/90/06/815749006.db2.gz GBNLBKYUGOBJEH-QWRGUYRKSA-N 2 0 290.358 -0.007 20 0 CBADRP [NH3+]C1(C(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC001161381165 815749085 /nfs/dbraw/zinc/74/90/85/815749085.db2.gz NZVRXCDYIWFXKM-NSHDSACASA-N 2 0 253.346 -0.199 20 0 CBADRP N[C@@]1(C(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)CC[NH2+]C1 ZINC001161387822 815749114 /nfs/dbraw/zinc/74/91/14/815749114.db2.gz FFOVHFPSULPDHA-JSGCOSHPSA-N 2 0 282.388 -1.000 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161378883 815749248 /nfs/dbraw/zinc/74/92/48/815749248.db2.gz AKNHQTJFJFNFCQ-QWHCGFSZSA-N 3 0 284.404 -0.624 20 0 CBADRP O=C([C@H]1[NH2+]CC[C@H]1O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161389203 815750328 /nfs/dbraw/zinc/75/03/28/815750328.db2.gz PCYUEQNOXTYEFQ-XQQFMLRXSA-N 2 0 283.372 -0.968 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412013 815751304 /nfs/dbraw/zinc/75/13/04/815751304.db2.gz FCMVHQFADSIXLG-SQNXGDPESA-N 2 0 277.372 -0.514 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161412047 815751827 /nfs/dbraw/zinc/75/18/27/815751827.db2.gz FKLXWOSKLZKZHL-ZDDJMSTPSA-N 2 0 263.345 -0.525 20 0 CBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)CN3CCCC[C@H]([NH3+])C3=O)C[C@@H]12 ZINC001161414332 815752790 /nfs/dbraw/zinc/75/27/90/815752790.db2.gz VCQYMFJEBGHDJJ-LOWDOPEQSA-N 2 0 294.399 -0.478 20 0 CBADRP [NH3+][C@@H](C(=O)N1CC(=O)NC2(CCCC2)C1)C1CC[NH2+]CC1 ZINC001161416018 815753009 /nfs/dbraw/zinc/75/30/09/815753009.db2.gz CPHHUJVVLFZGRD-CYBMUJFWSA-N 2 0 294.399 -0.416 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[N@@H+]2CC[C@@H]2C1)C1CC[NH2+]CC1 ZINC001161424145 815755564 /nfs/dbraw/zinc/75/55/64/815755564.db2.gz ZQXMKGRRDNCSEX-NEPJUHHUSA-N 3 0 252.362 -0.770 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC001161447894 815755790 /nfs/dbraw/zinc/75/57/90/815755790.db2.gz ZUTKNMLNPXIKAM-MQYQWHSLSA-N 3 0 280.416 -0.406 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161443177 815755946 /nfs/dbraw/zinc/75/59/46/815755946.db2.gz LYGSWYFXKJXWHC-SYQHCUMBSA-N 3 0 280.416 -0.121 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C1CC[NH2+]CC1)CC2 ZINC001161476551 815758380 /nfs/dbraw/zinc/75/83/80/815758380.db2.gz DGTQQJXMCWZQOB-WFASDCNBSA-N 2 0 295.383 -0.260 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1CC[NH2+]1)CC2 ZINC001161476769 815758493 /nfs/dbraw/zinc/75/84/93/815758493.db2.gz DOBDGRVUXHVKOH-KWBADKCTSA-N 2 0 267.329 -0.898 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C1([NH3+])CC1)CC2 ZINC001161481915 815758976 /nfs/dbraw/zinc/75/89/76/815758976.db2.gz ZLWLOJRDTQQMBP-CABZTGNLSA-N 2 0 267.329 -0.769 20 0 CBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1CC[NH2+]1)CC2 ZINC001161476771 815759038 /nfs/dbraw/zinc/75/90/38/815759038.db2.gz DOBDGRVUXHVKOH-OUJBWJOFSA-N 2 0 267.329 -0.898 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CC[NH2+]1)CC2 ZINC001161476768 815759088 /nfs/dbraw/zinc/75/90/88/815759088.db2.gz DOBDGRVUXHVKOH-CWSCBRNRSA-N 2 0 267.329 -0.898 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1CC[C@@H]1[NH3+])CC2 ZINC001161477371 815759158 /nfs/dbraw/zinc/75/91/58/815759158.db2.gz HKTWVXUPFIQAJC-DYNIEEOBSA-N 2 0 281.356 -0.523 20 0 CBADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001161489211 815760274 /nfs/dbraw/zinc/76/02/74/815760274.db2.gz RIPYOMBHJCBRTA-CMPLNLGQSA-N 3 0 274.434 -0.407 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C[C@@H]1[NH3+] ZINC001161492712 815761055 /nfs/dbraw/zinc/76/10/55/815761055.db2.gz WACYPQGNZWBRTC-YIYPIFLZSA-N 2 0 296.415 -0.755 20 0 CBADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001161490337 815761137 /nfs/dbraw/zinc/76/11/37/815761137.db2.gz YUBQFDLBWQTMDC-YUTCNCBUSA-N 2 0 266.389 -0.475 20 0 CBADRP C[NH2+][C@H](C(=O)N1C[C@@H](OC)[C@@H]([NH3+])C1)[C@@H](C)OC(C)(C)C ZINC001161492336 815761352 /nfs/dbraw/zinc/76/13/52/815761352.db2.gz OAMPMEYQMTVLPC-KXNHARMFSA-N 2 0 287.404 -0.038 20 0 CBADRP C[C@@H]1CN(C2CN(C(=O)[C@H]([NH3+])CCC[NH3+])C2)C[C@H](C)O1 ZINC001161493379 815761470 /nfs/dbraw/zinc/76/14/70/815761470.db2.gz MOTLBPPPUJWPRX-NTZNESFSSA-N 2 0 284.404 -0.627 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@@H]2CO[C@@]3(C2)CCC[NH2+]CC3)C[C@@H]1[NH3+] ZINC001161491937 815761782 /nfs/dbraw/zinc/76/17/82/815761782.db2.gz JZPCCXAVMXTWHZ-XPCVCDNBSA-N 2 0 297.399 -0.280 20 0 CBADRP C[N@H+](C1CN(C(=O)[C@@H]2CC[NH2+]C[C@@H]2F)C1)[C@H]1CCOC1 ZINC001161498612 815762519 /nfs/dbraw/zinc/76/25/19/815762519.db2.gz GMQSSKDQHSJJOM-UHTWSYAYSA-N 2 0 285.363 -0.135 20 0 CBADRP O=C(N1CC(C(F)F)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161498574 815763813 /nfs/dbraw/zinc/76/38/13/815763813.db2.gz KBHJYDUIGCJZRY-BXKDBHETSA-N 2 0 259.300 -0.091 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2C[C@H]([NH3+])C3(COC3)C2)C1 ZINC001161511064 815764356 /nfs/dbraw/zinc/76/43/56/815764356.db2.gz VWWVSRSFIPUQBK-MXWKQRLJSA-N 2 0 253.346 -0.439 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161511017 815764415 /nfs/dbraw/zinc/76/44/15/815764415.db2.gz VAXKYBQMEZXHHS-AXFHLTTASA-N 2 0 253.346 -0.439 20 0 CBADRP CC1(C)[C@H]2[C@@H]1C[NH2+][C@@H]2C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161507772 815764678 /nfs/dbraw/zinc/76/46/78/815764678.db2.gz AJJXOKADBXIMOH-NAKRPEOUSA-N 2 0 265.357 -0.584 20 0 CBADRP C[N@H+](C1CN(C(=O)[C@@]2(C)CC[NH2+]C2)C1)[C@H]1CCOC1 ZINC001161501043 815764952 /nfs/dbraw/zinc/76/49/52/815764952.db2.gz XEBAEQBZIDPNAT-FZMZJTMJSA-N 2 0 267.373 -0.083 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C=C2CC[NH2+]CC2)CC12COC2 ZINC001161509490 815765012 /nfs/dbraw/zinc/76/50/12/815765012.db2.gz KHIFXMHRFXOTME-LLVKDONJSA-N 2 0 251.330 -0.518 20 0 CBADRP CC1(C)C[NH2+][C@@](C)(C(=O)N2C[C@H]([NH3+])C3(COC3)C2)C1 ZINC001161507912 815765126 /nfs/dbraw/zinc/76/51/26/815765126.db2.gz BXCIWJUONSSJEF-GXFFZTMASA-N 2 0 267.373 -0.049 20 0 CBADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161510991 815765270 /nfs/dbraw/zinc/76/52/70/815765270.db2.gz UMEGZNTUFRDLNX-NXEZZACHSA-N 2 0 255.362 -0.064 20 0 CBADRP CC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161525825 815766119 /nfs/dbraw/zinc/76/61/19/815766119.db2.gz BBSSPBKUHXPMKQ-OLZOCXBDSA-N 2 0 282.388 -0.683 20 0 CBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2C[C@@H]([NH3+])C[C@H]2C)COC1(C)C ZINC001161529734 815767464 /nfs/dbraw/zinc/76/74/64/815767464.db2.gz GLMCACJKRAKUKI-RCWTZXSCSA-N 2 0 298.387 -0.755 20 0 CBADRP C[NH+]1CC2(CN(C(=O)CNC3CC[NH2+]CC3)C2)C1 ZINC001161532832 815767936 /nfs/dbraw/zinc/76/79/36/815767936.db2.gz YCAUPYHYIDQTNW-UHFFFAOYSA-N 2 0 252.362 -0.898 20 0 CBADRP C[NH+]1CC2(CN(C(=O)[C@@H]([NH3+])COC(C)(C)C)C2)C1 ZINC001161532843 815768184 /nfs/dbraw/zinc/76/81/84/815768184.db2.gz YKSYDPCSENKVFS-JTQLQIEISA-N 2 0 255.362 -0.097 20 0 CBADRP C[NH+]1CC2(CN(C(=O)[C@@H]3C[C@@H]4CC[NH2+]C[C@H]4O3)C2)C1 ZINC001161532865 815768521 /nfs/dbraw/zinc/76/85/21/815768521.db2.gz YVQOHZXVXODBER-SDDRHHMPSA-N 2 0 265.357 -0.473 20 0 CBADRP C[C@@]1(C(=O)N2CC[NH2+]C3(CC3)C2)CC[NH2+]C[C@H]1O ZINC001161545792 815769245 /nfs/dbraw/zinc/76/92/45/815769245.db2.gz ZRWMZJQBBRAYRB-ZYHUDNBSSA-N 2 0 253.346 -0.689 20 0 CBADRP CO[C@H]1CC[NH2+][C@H](C(=O)N2CC[NH2+]C3(CC3)C2)C1 ZINC001161550460 815769823 /nfs/dbraw/zinc/76/98/23/815769823.db2.gz JFLWKCZXLQSVOB-QWRGUYRKSA-N 2 0 253.346 -0.282 20 0 CBADRP COC(=O)CC[C@H]1COCCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001161567666 815771833 /nfs/dbraw/zinc/77/18/33/815771833.db2.gz ZOTBOZDHADDPNP-WDEREUQCSA-N 2 0 287.360 -0.767 20 0 CBADRP O=C([C@@H]1C[NH2+]C[C@H]2CCO[C@H]21)N1CC[NH2+]C2(CC2)C1 ZINC001161551053 815772247 /nfs/dbraw/zinc/77/22/47/815772247.db2.gz ZOSOULINPNVWRW-IJLUTSLNSA-N 2 0 265.357 -0.425 20 0 CBADRP O=C(NCCC[NH2+]CCOCCO)C12CCC[NH+]1CCC2 ZINC001161789110 815786506 /nfs/dbraw/zinc/78/65/06/815786506.db2.gz GJJYBHJPKWBJGV-UHFFFAOYSA-N 2 0 299.415 -0.280 20 0 CBADRP C[C@@H](CN1CC[NH2+]CC1)Nc1ncc2c(n1)C[NH2+]CC2 ZINC001162090376 815801758 /nfs/dbraw/zinc/80/17/58/815801758.db2.gz MHKMFPWADPQYBO-NSHDSACASA-N 2 0 276.388 -0.172 20 0 CBADRP C[NH2+]Cc1cc(N[C@@H](C)CN2CC[NH2+]CC2)ncn1 ZINC001162093898 815802850 /nfs/dbraw/zinc/80/28/50/815802850.db2.gz SUKXKGWTFZHPCX-NSHDSACASA-N 2 0 264.377 -0.098 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])c1ccc2c(n1)OCC[NH2+]C2 ZINC001162123942 815803693 /nfs/dbraw/zinc/80/36/93/815803693.db2.gz KSHMLJUZQPDSSM-UHFFFAOYSA-N 2 0 286.357 -0.712 20 0 CBADRP [NH3+][C@H]1COC[C@H]1Nc1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001162921170 815848358 /nfs/dbraw/zinc/84/83/58/815848358.db2.gz NCBQQDDJWYOPGH-OUAUKWLOSA-N 2 0 265.317 -0.645 20 0 CBADRP C[NH2+]Cc1cc(NCc2nnn3c2C[NH2+]CCC3)ncn1 ZINC001162974394 815851736 /nfs/dbraw/zinc/85/17/36/815851736.db2.gz ZMSAEPKIKRVERI-UHFFFAOYSA-N 2 0 288.359 -0.107 20 0 CBADRP c1nc2c(c(N[C@H]3COCCC34C[NH2+]C4)n1)C[NH2+]CC2 ZINC001163066918 815857134 /nfs/dbraw/zinc/85/71/34/815857134.db2.gz YIHGRJVURQOSKU-LBPRGKRZSA-N 2 0 275.356 -0.087 20 0 CBADRP c1nc2c(c(N[C@@H]3COCCC34C[NH2+]C4)n1)C[NH2+]CC2 ZINC001163066917 815857385 /nfs/dbraw/zinc/85/73/85/815857385.db2.gz YIHGRJVURQOSKU-GFCCVEGCSA-N 2 0 275.356 -0.087 20 0 CBADRP c1c2c(nnc1N[C@H]1COCCC13C[NH2+]C3)C[NH2+]C2 ZINC001163067898 815857496 /nfs/dbraw/zinc/85/74/96/815857496.db2.gz DLGZUSRWFDWJKC-NSHDSACASA-N 2 0 261.329 -0.130 20 0 CBADRP c1cc(N2CC[NH2+]CC2)nc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)n1 ZINC001163138127 815860641 /nfs/dbraw/zinc/86/06/41/815860641.db2.gz YQTRKIFDNGTAGD-IJLUTSLNSA-N 2 0 290.371 -0.715 20 0 CBADRP CC[NH+](CC)CCNC(=[NH2+])Nc1cncc(C(N)=O)n1 ZINC001163127029 815860768 /nfs/dbraw/zinc/86/07/68/815860768.db2.gz XITOJERUVBKAAY-UHFFFAOYSA-N 2 0 279.348 -0.146 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ncnc3c2C[NH2+]CC3)N1 ZINC001163239534 815870681 /nfs/dbraw/zinc/87/06/81/815870681.db2.gz QWUVSNHLBFKJTG-GWCFXTLKSA-N 2 0 274.328 -0.888 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2nccc(C3C[NH2+]C3)n2)N1 ZINC001163240407 815872024 /nfs/dbraw/zinc/87/20/24/815872024.db2.gz JWTIUPVRSRALGP-MFKMUULPSA-N 2 0 274.328 -0.847 20 0 CBADRP Cc1nnc(C[NH3+])n1-c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001163346984 815878690 /nfs/dbraw/zinc/87/86/90/815878690.db2.gz XCHSORNCPFOOTN-UHFFFAOYSA-N 2 0 288.359 -0.424 20 0 CBADRP CN(CC[NH+](C)C)c1ccc(N2CC[NH2+]CC2)nn1 ZINC001163590051 815890585 /nfs/dbraw/zinc/89/05/85/815890585.db2.gz NWCKAZBHTSNGTB-UHFFFAOYSA-N 2 0 264.377 -0.116 20 0 CBADRP C[NH2+]C1CN(c2ccc(N3CC[NH+](C)CC3)nn2)C1 ZINC001163702651 815896261 /nfs/dbraw/zinc/89/62/61/815896261.db2.gz LUCHQTQHFKORGP-UHFFFAOYSA-N 2 0 262.361 -0.364 20 0 CBADRP C[NH+]1CCC[C@@H]1C(=O)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001292584184 816469289 /nfs/dbraw/zinc/46/92/89/816469289.db2.gz LFDZVUJQSVFRGY-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](Nc1nc(N)[nH+]c(N)n1)[C@@H]1C[N@H+](C)CCN1C ZINC001307214920 816799380 /nfs/dbraw/zinc/79/93/80/816799380.db2.gz YLMVGNGESLLVHX-YUMQZZPRSA-N 2 0 266.353 -0.918 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001316623472 816872074 /nfs/dbraw/zinc/87/20/74/816872074.db2.gz HVUGUXAWTWLAMD-MCIONIFRSA-N 2 0 299.415 -0.569 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001316791514 816878027 /nfs/dbraw/zinc/87/80/27/816878027.db2.gz PZNFMLJTSUXKFT-TUAOUCFPSA-N 2 0 257.378 -0.102 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](C)[C@H]2CCNC2=O)C1 ZINC001316851442 816891307 /nfs/dbraw/zinc/89/13/07/816891307.db2.gz WSEIBLQCLCJCEW-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](C)CC(=O)N(C)C)C1 ZINC001316850258 816892913 /nfs/dbraw/zinc/89/29/13/816892913.db2.gz CLGDNZUNACURIP-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP CN(CC[NH2+]CCO)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001317587061 817024351 /nfs/dbraw/zinc/02/43/51/817024351.db2.gz DSGHYBBMNRPMLZ-UHFFFAOYSA-N 2 0 283.376 -0.901 20 0 CBADRP CN(CC[NH2+]CCCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001317587682 817024388 /nfs/dbraw/zinc/02/43/88/817024388.db2.gz RYJRLIUVLIFSLL-CYBMUJFWSA-N 2 0 269.389 -0.241 20 0 CBADRP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC(N)=O)[NH+](C)C ZINC001317629559 817034389 /nfs/dbraw/zinc/03/43/89/817034389.db2.gz XQFKPXLPDQZEQL-LLVKDONJSA-N 2 0 258.366 -0.894 20 0 CBADRP CC[C@@H](C(=O)N(C)CC[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001317654956 817040653 /nfs/dbraw/zinc/04/06/53/817040653.db2.gz NZSDYHFJBCDJFV-NSHDSACASA-N 2 0 272.393 -0.537 20 0 CBADRP C[C@H](O)C[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001318168799 817082713 /nfs/dbraw/zinc/08/27/13/817082713.db2.gz IVSKVMLPAKIFRN-NWDGAFQWSA-N 2 0 269.389 -0.243 20 0 CBADRP CN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CC[N@H+](CCO)C1 ZINC001318424050 817108330 /nfs/dbraw/zinc/10/83/30/817108330.db2.gz IANXIHQWKNXAKA-GFCCVEGCSA-N 2 0 269.389 -0.147 20 0 CBADRP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CCO)C1)[NH+](C)C ZINC001318443115 817110091 /nfs/dbraw/zinc/11/00/91/817110091.db2.gz RNZABSXHCOJKTL-NEPJUHHUSA-N 2 0 257.378 -0.148 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]CCO ZINC001319190038 817174806 /nfs/dbraw/zinc/17/48/06/817174806.db2.gz RPKSZXKTHGTEHS-DGCLKSJQSA-N 2 0 269.389 -0.338 20 0 CBADRP C[C@@H](C[NH2+]CCO)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001319460363 817207506 /nfs/dbraw/zinc/20/75/06/817207506.db2.gz KTLSDHDZPNQGAF-AAEUAGOBSA-N 2 0 269.389 -0.243 20 0 CBADRP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCO ZINC001319956961 817259653 /nfs/dbraw/zinc/25/96/53/817259653.db2.gz HAYIPCDGOIDZRT-NWDGAFQWSA-N 2 0 257.378 -0.339 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCn1cccn1 ZINC001320204695 817291391 /nfs/dbraw/zinc/29/13/91/817291391.db2.gz QGTPDGPRRXIOMR-STQMWFEESA-N 2 0 295.387 -0.956 20 0 CBADRP CC(C)[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001320238710 817300871 /nfs/dbraw/zinc/30/08/71/817300871.db2.gz RQCRBDDRSNWOJU-NWDGAFQWSA-N 2 0 257.378 -0.054 20 0 CBADRP CCN(CC[NH2+]CC(N)=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001320755661 817387375 /nfs/dbraw/zinc/38/73/75/817387375.db2.gz KVDURXQDTXRYMV-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)C(N)=O ZINC001321057605 817436392 /nfs/dbraw/zinc/43/63/92/817436392.db2.gz QUDQUXKDJQFHSN-QITAHTHBSA-N 2 0 296.415 -0.005 20 0 CBADRP COC[C@H](O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001321190041 817457374 /nfs/dbraw/zinc/45/73/74/817457374.db2.gz SHNAITXHVAHORQ-CDJBXZAQSA-N 2 0 285.388 -0.650 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)CC[NH+](C)C ZINC001321220712 817464143 /nfs/dbraw/zinc/46/41/43/817464143.db2.gz CCJFXVZYMXOVFB-MVIFTORASA-N 2 0 270.377 -0.665 20 0 CBADRP [NH3+]CCS(=O)(=O)N[C@@H](C[NH3+])Cc1ccccc1 ZINC001238581261 825555457 /nfs/dbraw/zinc/55/54/57/825555457.db2.gz HGWDCZGYZRYJIW-LLVKDONJSA-N 2 0 257.359 -0.566 20 0 CBADRP CSc1nc(C2C[NH2+]C2)cc(N(CC[NH3+])CCO)n1 ZINC001163827307 819854537 /nfs/dbraw/zinc/85/45/37/819854537.db2.gz FHACGHIVDHEKJJ-UHFFFAOYSA-N 2 0 283.401 -0.357 20 0 CBADRP [NH3+]CCN(CCO)c1cncc(N2CCC([NH3+])CC2)n1 ZINC001163830350 819855602 /nfs/dbraw/zinc/85/56/02/819855602.db2.gz ZVMXQBJZOMMRKD-UHFFFAOYSA-N 2 0 280.376 -0.839 20 0 CBADRP [NH3+]CCN(CCO)c1cc(N2CCOCC2)cc[nH+]1 ZINC001163829965 819856585 /nfs/dbraw/zinc/85/65/85/819856585.db2.gz LQDFURBYRXVFKD-UHFFFAOYSA-N 2 0 266.345 -0.324 20 0 CBADRP [NH3+]CCN(CCO)c1cccc(N2CC[NH2+]CC2)c1 ZINC001163835979 819858384 /nfs/dbraw/zinc/85/83/84/819858384.db2.gz LAAFRIBLLWRXGP-UHFFFAOYSA-N 2 0 264.373 -0.146 20 0 CBADRP C[NH+]1CCN(c2ccc(N(CC[NH3+])CCO)nc2)CC1 ZINC001163839256 819858949 /nfs/dbraw/zinc/85/89/49/819858949.db2.gz HGQNCDIDHFFBAI-UHFFFAOYSA-N 2 0 279.388 -0.409 20 0 CBADRP C[NH+](C)C1CN(c2cncc(N3CC[NH2+]CC3)n2)C1 ZINC001163940399 819871966 /nfs/dbraw/zinc/87/19/66/819871966.db2.gz IPZDLKICALCIDG-UHFFFAOYSA-N 2 0 262.361 -0.364 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001164574354 819931608 /nfs/dbraw/zinc/93/16/08/819931608.db2.gz IURVPZMZNJVZOT-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001164574388 819931623 /nfs/dbraw/zinc/93/16/23/819931623.db2.gz JRYZSWVRIWQREQ-TUAOUCFPSA-N 2 0 284.404 -0.314 20 0 CBADRP CO[C@@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)C[C@H]1[NH3+] ZINC001165204104 819942383 /nfs/dbraw/zinc/94/23/83/819942383.db2.gz ASZUBVLTSCVRHN-CHWSQXEVSA-N 2 0 291.399 -0.004 20 0 CBADRP C[NH+](C)CC1(C(=O)NCCC[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001165252875 819945050 /nfs/dbraw/zinc/94/50/50/819945050.db2.gz BGHSGGSGLLSMLC-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP c1c2c(nnc1N1CC[C@@H]3[NH2+]CCO[C@H]3C1)CC[NH2+]C2 ZINC001165270649 819945899 /nfs/dbraw/zinc/94/58/99/819945899.db2.gz IVWHSIBNEVPBDX-STQMWFEESA-N 2 0 275.356 -0.311 20 0 CBADRP [NH3+][C@]12C[C@H]1CN(c1cncc(N3CC[NH2+]CC3)n1)C2 ZINC001165316251 819955635 /nfs/dbraw/zinc/95/56/35/819955635.db2.gz XJVXIUOPTAVKDP-GWCFXTLKSA-N 2 0 260.345 -0.576 20 0 CBADRP C[NH+](C)CCCC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001165360812 819956674 /nfs/dbraw/zinc/95/66/74/819956674.db2.gz SVNYJFWEGCVTPJ-NSHDSACASA-N 2 0 298.387 -0.771 20 0 CBADRP CN1CC[C@H]([NH2+]CCCNC(=O)CCC[NH+](C)C)C1=O ZINC001165360898 819956757 /nfs/dbraw/zinc/95/67/57/819956757.db2.gz VMUPULYGCXUIGO-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001165361059 819956903 /nfs/dbraw/zinc/95/69/03/819956903.db2.gz WFMYVOLIIOMFND-LBPRGKRZSA-N 2 0 286.420 -0.099 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)CCC[NH+](C)C)C(N)=O ZINC001165359416 819957709 /nfs/dbraw/zinc/95/77/09/819957709.db2.gz AVOXTVSUAOVDOA-LLVKDONJSA-N 2 0 272.393 -0.312 20 0 CBADRP C[NH+](C)CCCC(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001165366920 819958348 /nfs/dbraw/zinc/95/83/48/819958348.db2.gz GYMINVONQXOVMC-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP C[NH+](C)CCCC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001165367486 819958426 /nfs/dbraw/zinc/95/84/26/819958426.db2.gz WNTCOQQDPONDDK-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP [NH3+][C@H]1[C@H]2CN(c3cncc(N4CC[NH2+]CC4)n3)C[C@@H]12 ZINC001165382007 819959025 /nfs/dbraw/zinc/95/90/25/819959025.db2.gz IXVHFGRSEAKVGG-DDFAGTSDSA-N 2 0 260.345 -0.721 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCN1c1ncc2c(n1)C[NH2+]C2 ZINC001165438096 819963647 /nfs/dbraw/zinc/96/36/47/819963647.db2.gz COZNWBDMENBZRW-SNVBAGLBSA-N 2 0 263.301 -0.969 20 0 CBADRP C[NH+]1CCC(C(=O)NCCC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001165776433 819981657 /nfs/dbraw/zinc/98/16/57/819981657.db2.gz IWHQTBXZTGWPHJ-GFCCVEGCSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@@H](NC(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C)C1CC1 ZINC001165781544 819983394 /nfs/dbraw/zinc/98/33/94/819983394.db2.gz UZINRFKIFSRIKR-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001165794302 819983576 /nfs/dbraw/zinc/98/35/76/819983576.db2.gz QZCCBIQWDXGFMQ-UHFFFAOYSA-N 2 0 270.377 -0.734 20 0 CBADRP CN1CCC[C@H]([NH2+]CCCNC(=O)CC[NH+](C)C)C1=O ZINC001165793997 819983748 /nfs/dbraw/zinc/98/37/48/819983748.db2.gz GMGFNUUPQICPAX-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)CC[NH+](C)C)C(N)=O ZINC001165781028 819983853 /nfs/dbraw/zinc/98/38/53/819983853.db2.gz CRQSFOOZJUMOBB-SNVBAGLBSA-N 2 0 258.366 -0.702 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165781297 819984188 /nfs/dbraw/zinc/98/41/88/819984188.db2.gz OKVBRNYKLQUAOP-SNVBAGLBSA-N 2 0 258.366 -0.832 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001165781239 819984228 /nfs/dbraw/zinc/98/42/28/819984228.db2.gz MCOKWVGFXNXMCP-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP CC(C)[C@H](C(=O)NCCC[NH2+][C@H]1CCCNC1=O)[NH+](C)C ZINC001166004563 819988120 /nfs/dbraw/zinc/98/81/20/819988120.db2.gz RVBMBMQFUNMSJV-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)[C@H](C(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001166010193 819989693 /nfs/dbraw/zinc/98/96/93/819989693.db2.gz KDMVNWNADTVXBA-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H]1CN(c2ccc(-n3ccnc3CC[NH3+])nn2)CC[NH2+]1 ZINC001166277912 819996727 /nfs/dbraw/zinc/99/67/27/819996727.db2.gz VDLNNRVLQIOSLJ-LLVKDONJSA-N 2 0 287.371 -0.038 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC)[NH+](CC)CC ZINC001166424313 820000499 /nfs/dbraw/zinc/00/04/99/820000499.db2.gz DLSGEFAUCLNYOU-LBPRGKRZSA-N 2 0 286.420 -0.051 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166627636 820009127 /nfs/dbraw/zinc/00/91/27/820009127.db2.gz XXQVGEVQOIZEBW-STQMWFEESA-N 2 0 287.404 -0.426 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001166633680 820010019 /nfs/dbraw/zinc/01/00/19/820010019.db2.gz JIYMUSPCSDDUFO-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166668362 820012930 /nfs/dbraw/zinc/01/29/30/820012930.db2.gz ZVACTFFROLMDMA-NSHDSACASA-N 2 0 270.377 -0.830 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CCCO)C1 ZINC001166677788 820013496 /nfs/dbraw/zinc/01/34/96/820013496.db2.gz NDOQWJHWUCSFSY-LBPRGKRZSA-N 2 0 257.378 -0.194 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)N2CCC2)C1 ZINC001166667599 820015095 /nfs/dbraw/zinc/01/50/95/820015095.db2.gz DNYOPCPTBXLEDW-CYBMUJFWSA-N 2 0 296.415 -0.344 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCOCCO ZINC001166695117 820016234 /nfs/dbraw/zinc/01/62/34/820016234.db2.gz ZYOYZVAZUVXZLJ-STQMWFEESA-N 2 0 287.404 -0.711 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)N(C)C ZINC001166678160 820017165 /nfs/dbraw/zinc/01/71/65/820017165.db2.gz UDOKFRAZZVTMCW-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166707965 820018232 /nfs/dbraw/zinc/01/82/32/820018232.db2.gz KSQISNQKSQAYJU-STQMWFEESA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1cn(C)nn1 ZINC001166715142 820018812 /nfs/dbraw/zinc/01/88/12/820018812.db2.gz SMVMADNZJDLUJE-DGCLKSJQSA-N 2 0 294.403 -0.391 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166708592 820019107 /nfs/dbraw/zinc/01/91/07/820019107.db2.gz UMFVZVBQIXSUMP-OLZOCXBDSA-N 2 0 298.431 -0.242 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001166707985 820019527 /nfs/dbraw/zinc/01/95/27/820019527.db2.gz LEOPFPLFISNYAR-CHWSQXEVSA-N 2 0 296.415 -0.488 20 0 CBADRP CN(C)C(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166764883 820035027 /nfs/dbraw/zinc/03/50/27/820035027.db2.gz MHRQSYMBGFQFSJ-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+]CCN1CCNC1=O)[NH+](C)C ZINC001166865140 820042880 /nfs/dbraw/zinc/04/28/80/820042880.db2.gz ATOVCMUKPWJDNO-LBPRGKRZSA-N 2 0 299.419 -0.552 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+][C@H](C)C(N)=O)[NH+](C)C ZINC001166852774 820043055 /nfs/dbraw/zinc/04/30/55/820043055.db2.gz WKDPVPSMOBWFNZ-ZJUUUORDSA-N 2 0 258.366 -0.704 20 0 CBADRP Cc1cnc(N2CCO[C@@H](C[NH3+])C2)nc1C1C[NH2+]C1 ZINC001166940000 820049379 /nfs/dbraw/zinc/04/93/79/820049379.db2.gz OAEOFWDKEJIDTG-NSHDSACASA-N 2 0 263.345 -0.364 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ccc2c(n1)CC[NH2+]C2 ZINC001166962378 820054240 /nfs/dbraw/zinc/05/42/40/820054240.db2.gz VWASEHOTNMGMSN-PWSUYJOCSA-N 2 0 276.340 -0.194 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ncc(C)cc1C[NH3+] ZINC001166967901 820055043 /nfs/dbraw/zinc/05/50/43/820055043.db2.gz QEPVNCKVAQRYQQ-MNOVXSKESA-N 2 0 264.329 -0.072 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1cc(C2C[NH2+]C2)ncn1 ZINC001166968478 820057171 /nfs/dbraw/zinc/05/71/71/820057171.db2.gz OIOCSEUHHYPOTG-KOLCDFICSA-N 2 0 277.328 -0.758 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167655708 820107740 /nfs/dbraw/zinc/10/77/40/820107740.db2.gz YJBUTQMTWVOXMX-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1-c1ncnc2c1C[NH2+]CC2 ZINC001167671993 820110577 /nfs/dbraw/zinc/11/05/77/820110577.db2.gz UIKCCFYBVFVIGL-UHFFFAOYSA-N 2 0 271.328 -0.445 20 0 CBADRP C[NH2+]CCNc1ccc(C(=O)NC2CC[NH+](C)CC2)nn1 ZINC001167723961 820113140 /nfs/dbraw/zinc/11/31/40/820113140.db2.gz IHFIUEWJMZLOJI-UHFFFAOYSA-N 2 0 292.387 -0.068 20 0 CBADRP C[NH+]1CCN(c2cc(-n3ccc(CC[NH3+])n3)ncn2)CC1 ZINC001167728301 820113675 /nfs/dbraw/zinc/11/36/75/820113675.db2.gz PAIIIMHKDKWJRU-UHFFFAOYSA-N 2 0 287.371 -0.085 20 0 CBADRP [NH3+]CCc1nnn(-c2ccc3c(c2)COC32C[NH2+]C2)n1 ZINC001167792797 820122222 /nfs/dbraw/zinc/12/22/22/820122222.db2.gz NFSSTPPCSOIQLR-UHFFFAOYSA-N 2 0 272.312 -0.508 20 0 CBADRP COC(=O)c1cncc(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001167879499 820125072 /nfs/dbraw/zinc/12/50/72/820125072.db2.gz VNDGEYNLFVBUSM-UHFFFAOYSA-N 2 0 266.305 -0.062 20 0 CBADRP CS(=O)(=O)c1cc(NC(=[NH2+])NCCCC[NH3+])ncn1 ZINC001167877667 820125130 /nfs/dbraw/zinc/12/51/30/820125130.db2.gz JDZBVSDJSIVEGX-UHFFFAOYSA-N 2 0 286.361 -0.445 20 0 CBADRP COC(=O)c1cc(NC(=[NH2+])NCCCC[NH3+])ccn1 ZINC001167878808 820125140 /nfs/dbraw/zinc/12/51/40/820125140.db2.gz PPRGZSWMDXPACD-UHFFFAOYSA-N 2 0 265.317 -0.035 20 0 CBADRP C[NH2+]Cc1cc(NC(=[NH2+])NCCCC[NH3+])ncn1 ZINC001167880342 820125330 /nfs/dbraw/zinc/12/53/30/820125330.db2.gz IOHBGANLBLFOLO-UHFFFAOYSA-N 3 0 251.338 -0.129 20 0 CBADRP CS(=O)(=O)c1nccc(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001167879008 820125484 /nfs/dbraw/zinc/12/54/84/820125484.db2.gz WLRFCMCIVNWVFN-UHFFFAOYSA-N 2 0 286.361 -0.445 20 0 CBADRP CN(C)C(=O)c1ccc(NC(=[NH2+])NCCCC[NH3+])nn1 ZINC001167880622 820125666 /nfs/dbraw/zinc/12/56/66/820125666.db2.gz RWUCFOPKQYIARB-UHFFFAOYSA-N 2 0 279.348 -0.146 20 0 CBADRP C[NH2+]Cc1cc(N[C@H](CCC[NH3+])C(=O)OC)ncn1 ZINC001167895568 820127377 /nfs/dbraw/zinc/12/73/77/820127377.db2.gz JPRUZQIMGZQLCI-SNVBAGLBSA-N 2 0 267.333 -0.112 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC2(C[NH2+]CC(N)=O)CC2)C1 ZINC001168136064 820145714 /nfs/dbraw/zinc/14/57/14/820145714.db2.gz FKCIXOYTJJXGSB-LLVKDONJSA-N 2 0 282.388 -0.701 20 0 CBADRP F[C@@H]1CC[NH2+]C[C@@H]1Nc1nccnc1N1CC[NH2+]CC1 ZINC001168228186 820151737 /nfs/dbraw/zinc/15/17/37/820151737.db2.gz ORLVKUHVRDCDCC-MNOVXSKESA-N 2 0 280.351 -0.002 20 0 CBADRP C[C@H]1CN(c2ccc(-n3cc(C[NH3+])cn3)nn2)CC[NH2+]1 ZINC001168257266 820153074 /nfs/dbraw/zinc/15/30/74/820153074.db2.gz QYUHCNINOUWMJY-JTQLQIEISA-N 2 0 273.344 -0.081 20 0 CBADRP [NH3+]Cc1cnn(-c2cnc(O[C@H]3CC[NH2+]C3)nc2)c1 ZINC001168262344 820154567 /nfs/dbraw/zinc/15/45/67/820154567.db2.gz RFALFLXSHOYPGQ-NSHDSACASA-N 2 0 260.301 -0.138 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001168321120 820157800 /nfs/dbraw/zinc/15/78/00/820157800.db2.gz XVECHGQIRRLPDQ-UHFFFAOYSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H]1CN(c2ccc(-n3ccnc3C(N)=[NH2+])nn2)CC[NH2+]1 ZINC001168411752 820160573 /nfs/dbraw/zinc/16/05/73/820160573.db2.gz LCBDXMJPADXLJU-SECBINFHSA-N 2 0 286.343 -0.256 20 0 CBADRP C[NH+]1CCN(C(=[NH2+])Nc2ncc3c(n2)NC(=O)C3)CC1 ZINC001168736413 820168965 /nfs/dbraw/zinc/16/89/65/820168965.db2.gz LSUFZABTYKSYNU-UHFFFAOYSA-N 2 0 275.316 -0.435 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@H](C)c1nnnn1C ZINC001168754858 820174738 /nfs/dbraw/zinc/17/47/38/820174738.db2.gz CWJZDGIKQPTVHG-LLVKDONJSA-N 2 0 297.407 -0.291 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001168754726 820174956 /nfs/dbraw/zinc/17/49/56/820174956.db2.gz ANMBUBLCPVEPGG-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001168755109 820174967 /nfs/dbraw/zinc/17/49/67/820174967.db2.gz IISRTNPPEBPCFO-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001168756186 820177081 /nfs/dbraw/zinc/17/70/81/820177081.db2.gz WPGFVPJNLLEJJP-JTQLQIEISA-N 2 0 258.366 -0.702 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC ZINC001168763487 820181095 /nfs/dbraw/zinc/18/10/95/820181095.db2.gz OHXADWLNBMQKPZ-LLVKDONJSA-N 2 0 272.393 -0.441 20 0 CBADRP [NH3+]Cc1nnnn1-c1ccc2c([C@@H]3CCC[NH2+]3)nnn2c1 ZINC001168920362 820191778 /nfs/dbraw/zinc/19/17/78/820191778.db2.gz OBDJKQXZOIRJOT-VIFPVBQESA-N 2 0 285.315 -0.412 20 0 CBADRP [NH3+]Cc1nnnn1-c1ccc2c(c1)COC21C[NH2+]C1 ZINC001168923180 820192486 /nfs/dbraw/zinc/19/24/86/820192486.db2.gz GJMMHHSWJZIODC-UHFFFAOYSA-N 2 0 258.285 -0.550 20 0 CBADRP [NH3+]CCc1cnn(-c2cnc(O[C@H]3CC[NH2+]C3)nc2)c1 ZINC001168948895 820196060 /nfs/dbraw/zinc/19/60/60/820196060.db2.gz DVZKQPBPGNABBA-LBPRGKRZSA-N 2 0 274.328 -0.096 20 0 CBADRP Cc1nc(CC[NH3+])nn1-c1nccc(N2CC[NH2+]CC2)n1 ZINC001168983879 820198876 /nfs/dbraw/zinc/19/88/76/820198876.db2.gz SJTSUXQGEYSJAW-UHFFFAOYSA-N 2 0 288.359 -0.723 20 0 CBADRP [NH3+][C@@H](CO)Cc1cncn1-c1cc2c(nn1)C[NH2+]C2 ZINC001169071333 820205801 /nfs/dbraw/zinc/20/58/01/820205801.db2.gz JZYPVNQSVCBTLD-SECBINFHSA-N 2 0 260.301 -0.872 20 0 CBADRP COC(=O)[C@H](C[NH3+])CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169099723 820207302 /nfs/dbraw/zinc/20/73/02/820207302.db2.gz UHHRFPXBMUPYBV-KKOKHZNYSA-N 2 0 255.362 -0.051 20 0 CBADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCC[NH+](CCO)CCO)C2 ZINC001169094528 820207543 /nfs/dbraw/zinc/20/75/43/820207543.db2.gz METFKYJRQBPNFX-QDMKHBRRSA-N 3 0 285.432 -0.122 20 0 CBADRP COC(=O)[C@@H](C[NH3+])CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169099725 820207641 /nfs/dbraw/zinc/20/76/41/820207641.db2.gz UHHRFPXBMUPYBV-YFKTTZPYSA-N 2 0 255.362 -0.051 20 0 CBADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CC(=O)NC1=O)C2 ZINC001169108054 820209073 /nfs/dbraw/zinc/20/90/73/820209073.db2.gz NNTWQKDBGSEOMR-XWLWVQCSSA-N 2 0 251.330 -0.136 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169127586 820210526 /nfs/dbraw/zinc/21/05/26/820210526.db2.gz QJCKVDQKRRPUGT-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH+]1CCC([NH2+]CCN2CCS(=O)(=O)CC2)CC1 ZINC001169238724 820216147 /nfs/dbraw/zinc/21/61/47/820216147.db2.gz LRMGCEPMGUQVNH-UHFFFAOYSA-N 2 0 289.445 -0.209 20 0 CBADRP CC[NH+]1CCC(n2cnc(C[C@H]([NH3+])C(N)=O)c2)CC1 ZINC001169244870 820216586 /nfs/dbraw/zinc/21/65/86/820216586.db2.gz XLMNSIQAVDEKOJ-LBPRGKRZSA-N 2 0 265.361 -0.105 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCOCC[NH3+])CO1 ZINC001169318911 820229682 /nfs/dbraw/zinc/22/96/82/820229682.db2.gz GBYKXTWSDKBIKL-MNOVXSKESA-N 2 0 260.334 -0.338 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H](C[NH3+])C(=O)OC)CO1 ZINC001169334484 820238964 /nfs/dbraw/zinc/23/89/64/820238964.db2.gz LGDRWCFWNRMPJH-AXFHLTTASA-N 2 0 288.344 -0.565 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCN(C)CC[NH3+])CO1 ZINC001169349081 820243112 /nfs/dbraw/zinc/24/31/12/820243112.db2.gz NYXSSYHVSSHJNN-RYUDHWBXSA-N 2 0 273.377 -0.423 20 0 CBADRP CC(=O)N1CC[C@@H]([NH2+]CCN2CC[NH+](C)CC2)C1 ZINC001169493455 820248111 /nfs/dbraw/zinc/24/81/11/820248111.db2.gz MTALCMNVQIFTMW-CYBMUJFWSA-N 2 0 254.378 -0.556 20 0 CBADRP CC(=O)N1CC[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC001169492742 820248815 /nfs/dbraw/zinc/24/88/15/820248815.db2.gz BHRHWLFIUZZQPA-CQSZACIVSA-N 2 0 268.405 -0.166 20 0 CBADRP CC(=O)N1CC[C@@H]([NH2+]CCN2CCC[N@@H+](C)CC2)C1 ZINC001169507526 820250002 /nfs/dbraw/zinc/25/00/02/820250002.db2.gz TYBLVAWQCYTHLI-CQSZACIVSA-N 2 0 268.405 -0.166 20 0 CBADRP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])C1 ZINC001169507392 820250566 /nfs/dbraw/zinc/25/05/66/820250566.db2.gz SGZZHZVLSULQTI-AAVRWANBSA-N 2 0 285.388 -0.078 20 0 CBADRP C[NH+]1CCC(OCC(=O)NCCC[NH2+]CCO)CC1 ZINC001169531827 820251220 /nfs/dbraw/zinc/25/12/20/820251220.db2.gz UVRJGNHKDZJTLB-UHFFFAOYSA-N 2 0 273.377 -0.815 20 0 CBADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H]1CCCN(C(C)=O)C1 ZINC001169578946 820258342 /nfs/dbraw/zinc/25/83/42/820258342.db2.gz HVTCYLQFPXACCP-GHMZBOCLSA-N 2 0 257.334 -0.665 20 0 CBADRP CC(=O)N1CCC[C@@H]([NH+]2CCN(CCC[NH3+])CC2)C1 ZINC001169584262 820258753 /nfs/dbraw/zinc/25/87/53/820258753.db2.gz HWURCOIQLNKEAG-CQSZACIVSA-N 2 0 268.405 -0.036 20 0 CBADRP C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169809980 820266742 /nfs/dbraw/zinc/26/67/42/820266742.db2.gz MVOGBFXMXIPQIM-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP c1cnc(NC[C@H]2COCC[NH2+]2)c(N2CC[NH2+]CC2)c1 ZINC001170035027 820274433 /nfs/dbraw/zinc/27/44/33/820274433.db2.gz IARSGNYEWKNCQS-LBPRGKRZSA-N 2 0 277.372 -0.109 20 0 CBADRP c1nc(O[C@@H]2CC[NH2+]C2)ncc1NC[C@H]1COCC[NH2+]1 ZINC001170044656 820276497 /nfs/dbraw/zinc/27/64/97/820276497.db2.gz NNRWGZYRWPERTC-NWDGAFQWSA-N 2 0 279.344 -0.382 20 0 CBADRP c1cc(NC[C@H]2COCC[NH2+]2)ncc1OC1C[NH2+]C1 ZINC001170047377 820276992 /nfs/dbraw/zinc/27/69/92/820276992.db2.gz LSNSVCIAIIHIFY-JTQLQIEISA-N 2 0 264.329 -0.168 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1cnnn1C ZINC001170211956 820279990 /nfs/dbraw/zinc/27/99/90/820279990.db2.gz SVTCZHUDXMAQBB-UHFFFAOYSA-N 2 0 282.392 -0.247 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]C[C@@H](O)COC ZINC001170211492 820280660 /nfs/dbraw/zinc/28/06/60/820280660.db2.gz NVPNAJGBTLHTEB-GFCCVEGCSA-N 2 0 275.393 -0.569 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)CC[N@H+](C)CC)C(N)=O ZINC001170223456 820283105 /nfs/dbraw/zinc/28/31/05/820283105.db2.gz VPKFTNRDPJSQTG-LLVKDONJSA-N 2 0 272.393 -0.312 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)CC[N@H+](C)CC)C(N)=O ZINC001170223457 820283327 /nfs/dbraw/zinc/28/33/27/820283327.db2.gz VPKFTNRDPJSQTG-NSHDSACASA-N 2 0 272.393 -0.312 20 0 CBADRP CN(CC[NH3+])CCNc1ccc(N2CC[NH2+]CC2)nc1 ZINC001170502404 820295736 /nfs/dbraw/zinc/29/57/36/820295736.db2.gz VLVIXGQAQTZKRI-UHFFFAOYSA-N 2 0 278.404 -0.206 20 0 CBADRP COc1c(NCCN(C)CC[NH3+])ncnc1C1C[NH2+]C1 ZINC001170501858 820296080 /nfs/dbraw/zinc/29/60/80/820296080.db2.gz FWEIAZQAVVEVBF-UHFFFAOYSA-N 2 0 280.376 -0.526 20 0 CBADRP CN1CCOc2c1cn[nH+]c2NCCOCCOCC[NH3+] ZINC001170507843 820296901 /nfs/dbraw/zinc/29/69/01/820296901.db2.gz KULIJYPLOSNYOC-UHFFFAOYSA-N 2 0 297.359 -0.291 20 0 CBADRP [NH3+]CCOCCOCC[NH2+]c1ccc2[nH]c(=O)cc-2[nH]1 ZINC001170511775 820297260 /nfs/dbraw/zinc/29/72/60/820297260.db2.gz ZXCYAGMKKRDGTF-UHFFFAOYSA-N 2 0 280.328 -0.020 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCN(CC[NH3+])CC2)C1 ZINC001170510327 820297443 /nfs/dbraw/zinc/29/74/43/820297443.db2.gz UAKJIYKEOLAFOY-VXGBXAGGSA-N 2 0 255.362 -0.096 20 0 CBADRP [NH3+]CCOCCOCCNc1cccc(C[NH3+])n1 ZINC001170512571 820298884 /nfs/dbraw/zinc/29/88/84/820298884.db2.gz HMHHMUJTFWIIAQ-UHFFFAOYSA-N 2 0 254.334 -0.056 20 0 CBADRP C[C@H](Nc1nccc(N2CC[NH2+]CC2)n1)[C@@H]1C[NH2+]CCO1 ZINC001170557517 820305966 /nfs/dbraw/zinc/30/59/66/820305966.db2.gz CKBWQPWMNAQMSS-RYUDHWBXSA-N 2 0 292.387 -0.325 20 0 CBADRP C[C@H](Nc1nccc(N2CC[NH2+]CC2)n1)[C@H]1C[NH2+]CCO1 ZINC001170557516 820306234 /nfs/dbraw/zinc/30/62/34/820306234.db2.gz CKBWQPWMNAQMSS-NWDGAFQWSA-N 2 0 292.387 -0.325 20 0 CBADRP C[C@@H](Nc1ccnc(N2CC[NH2+]CC2)n1)[C@@H]1C[NH2+]CCO1 ZINC001170557939 820306832 /nfs/dbraw/zinc/30/68/32/820306832.db2.gz JEYJQPODCWIEKA-NEPJUHHUSA-N 2 0 292.387 -0.325 20 0 CBADRP C[NH2+]Cc1cc(N[C@@H](C)[C@H]2C[NH2+]CCO2)ncn1 ZINC001170574735 820307664 /nfs/dbraw/zinc/30/76/64/820307664.db2.gz WMXPSLALVFMTJO-GXSJLCMTSA-N 2 0 251.334 -0.015 20 0 CBADRP C[NH2+]Cc1cc(N[C@H](C)[C@@H]2C[NH2+]CCO2)ncn1 ZINC001170574736 820308947 /nfs/dbraw/zinc/30/89/47/820308947.db2.gz WMXPSLALVFMTJO-KOLCDFICSA-N 2 0 251.334 -0.015 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@H]1Nc1nc(Cl)nc2c1CC[NH2+]CC2 ZINC001170772264 820316597 /nfs/dbraw/zinc/31/65/97/820316597.db2.gz CAUAHNUWDVSXIS-GZMMTYOYSA-N 2 0 297.790 -0.190 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@H]1Nc1ccc(O[C@@H]2CCC[NH2+]C2)nn1 ZINC001170774822 820317658 /nfs/dbraw/zinc/31/76/58/820317658.db2.gz BZXXWLIBUBMKBK-QJPTWQEYSA-N 2 0 293.371 -0.400 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@@H]1Nc1ccc(O[C@H]2CCC[NH2+]C2)nn1 ZINC001170774834 820318506 /nfs/dbraw/zinc/31/85/06/820318506.db2.gz BZXXWLIBUBMKBK-SRVKXCTJSA-N 2 0 293.371 -0.400 20 0 CBADRP [NH3+]C1CCN(c2cncc(N[C@@H]3C[NH2+]C[C@@H]3CO)n2)CC1 ZINC001170776862 820319857 /nfs/dbraw/zinc/31/98/57/820319857.db2.gz PMODETUIXULSRK-ZYHUDNBSSA-N 2 0 292.387 -0.604 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@@H]1Nc1ccc(OC2C[NH2+]C2)cn1 ZINC001170780378 820322639 /nfs/dbraw/zinc/32/26/39/820322639.db2.gz GENDBMYOXVTVHO-CABZTGNLSA-N 2 0 264.329 -0.576 20 0 CBADRP [NH3+]C1CCN(c2nccc(N[C@@H]3C[NH2+]C[C@H]3CO)n2)CC1 ZINC001170779883 820323120 /nfs/dbraw/zinc/32/31/20/820323120.db2.gz YZRKSTYMLUKVOT-CMPLNLGQSA-N 2 0 292.387 -0.604 20 0 CBADRP C[NH+]1CCN(c2ccc(N[C@@H]3C[NH2+]C[C@@H]3CO)nc2)CC1 ZINC001170787894 820325876 /nfs/dbraw/zinc/32/58/76/820325876.db2.gz GQJMJWXWMGWQMH-TZMCWYRMSA-N 2 0 291.399 -0.174 20 0 CBADRP CC[C@]([NH3+])(CO)Nc1ccc(N2CC[NH2+][C@@H](C)C2)nn1 ZINC001170856784 820329000 /nfs/dbraw/zinc/32/90/00/820329000.db2.gz AITHLKZYICWVNH-GXFFZTMASA-N 2 0 280.376 -0.256 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc(C[NH2+]C)ncn1 ZINC001170868385 820329927 /nfs/dbraw/zinc/32/99/27/820329927.db2.gz SGTVHMGHKNAFEY-GHMZBOCLSA-N 2 0 279.344 -0.241 20 0 CBADRP CC[C@]([NH3+])(CO)Nc1ccc(N2CC[NH2+]CC2)nc1 ZINC001170865265 820330761 /nfs/dbraw/zinc/33/07/61/820330761.db2.gz LJGJNWJHMNCSGN-CYBMUJFWSA-N 2 0 265.361 -0.040 20 0 CBADRP CC[C@]([NH3+])(CO)Nc1ncnc(C2C[NH2+]C2)c1OC ZINC001170865505 820331070 /nfs/dbraw/zinc/33/10/70/820331070.db2.gz NMEFOKXDGRVECY-GFCCVEGCSA-N 2 0 267.333 -0.359 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc2c(nn1)C[NH2+]C2 ZINC001170867281 820331837 /nfs/dbraw/zinc/33/18/37/820331837.db2.gz BUAMQFNBLCDRPI-MWLCHTKSSA-N 2 0 277.328 -0.357 20 0 CBADRP CC[C@@]([NH3+])(CO)Nc1ccc(N2CC[NH2+]CC2)nc1 ZINC001170865267 820331926 /nfs/dbraw/zinc/33/19/26/820331926.db2.gz LJGJNWJHMNCSGN-ZDUSSCGKSA-N 2 0 265.361 -0.040 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nccc(C2C[NH2+]C2)n1 ZINC001170873916 820333033 /nfs/dbraw/zinc/33/30/33/820333033.db2.gz LEHGPNOSHLTLJD-ZYHUDNBSSA-N 2 0 291.355 -0.274 20 0 CBADRP COc1nc(N[C@H]([NH3+])CCC[NH3+])nc2nc[nH]c21 ZINC001170896538 820333278 /nfs/dbraw/zinc/33/32/78/820333278.db2.gz GQYZDKWMPOFQFQ-LURJTMIESA-N 2 0 251.294 -0.203 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncc2c(n1)NC(=O)CO2 ZINC001170897041 820333552 /nfs/dbraw/zinc/33/35/52/820333552.db2.gz KMGHREMIXKFASA-ZETCQYMHSA-N 2 0 252.278 -0.757 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1nccnc1N1CC[NH2+]CC1 ZINC001170894560 820333992 /nfs/dbraw/zinc/33/39/92/820333992.db2.gz KQZYBHCGZBROFP-SNVBAGLBSA-N 3 0 265.365 -0.678 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncc2c(n1)OCC(=O)N2 ZINC001170900761 820334438 /nfs/dbraw/zinc/33/44/38/820334438.db2.gz XWZVFQKJXLWEAL-ZETCQYMHSA-N 2 0 252.278 -0.757 20 0 CBADRP CS(=O)(=O)Nc1cncc(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001170904844 820334700 /nfs/dbraw/zinc/33/47/00/820334700.db2.gz QLKXRVSYDZEMRS-SNVBAGLBSA-N 2 0 273.362 -0.111 20 0 CBADRP COC(=O)c1coc(=O)c(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001170900033 820334960 /nfs/dbraw/zinc/33/49/60/820334960.db2.gz OJKPJACQMRNDCC-VIFPVBQESA-N 2 0 255.274 -0.138 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1nccc(N2CCOCC2)n1 ZINC001170899281 820335096 /nfs/dbraw/zinc/33/50/96/820335096.db2.gz UBIMHUWJLTTYSU-SNVBAGLBSA-N 2 0 266.349 -0.251 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1cncc(CN2CCOCC2=O)c1 ZINC001170900960 820335216 /nfs/dbraw/zinc/33/52/16/820335216.db2.gz RWCNAOUROYNNSK-ZDUSSCGKSA-N 2 0 293.371 -0.124 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncccc1N1CC[NH2+]CC1 ZINC001170898884 820335320 /nfs/dbraw/zinc/33/53/20/820335320.db2.gz RCYKJDQWZPRUMO-LBPRGKRZSA-N 3 0 264.377 -0.073 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1cnc2c(c1)OCC(=O)N2 ZINC001170900545 820336184 /nfs/dbraw/zinc/33/61/84/820336184.db2.gz VUGLTVKTGUEBKT-SECBINFHSA-N 2 0 251.290 -0.152 20 0 CBADRP CCOC(=O)CN(CC[NH3+])c1ccc2c(n1)OCC[NH2+]C2 ZINC001170992550 820341863 /nfs/dbraw/zinc/34/18/63/820341863.db2.gz PJUDSNAFDNAEDV-UHFFFAOYSA-N 2 0 294.355 -0.108 20 0 CBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]C[C@H]1CCOC1 ZINC001171218687 820350147 /nfs/dbraw/zinc/35/01/47/820350147.db2.gz RFRUGBBIEYCUBS-CYBMUJFWSA-N 2 0 287.404 -0.303 20 0 CBADRP COC[C@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171218702 820350794 /nfs/dbraw/zinc/35/07/94/820350794.db2.gz RNYFBNWQLRWIAO-LBPRGKRZSA-N 2 0 275.393 -0.305 20 0 CBADRP CN(C)C(=O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171218774 820350815 /nfs/dbraw/zinc/35/08/15/820350815.db2.gz SYMUHMVBUGDPFM-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC(=O)NC2CC2)C1 ZINC001171217392 820350895 /nfs/dbraw/zinc/35/08/95/820350895.db2.gz LTFYMIIOFZAYBI-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001171217486 820351216 /nfs/dbraw/zinc/35/12/16/820351216.db2.gz NTPQYYAURWVYBB-NWDGAFQWSA-N 2 0 282.388 -0.687 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171227364 820351628 /nfs/dbraw/zinc/35/16/28/820351628.db2.gz OTAVWKCTRXTDGC-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171215392 820352268 /nfs/dbraw/zinc/35/22/68/820352268.db2.gz BTRVIYCUKRWBFD-GFCCVEGCSA-N 2 0 284.404 -0.440 20 0 CBADRP Cn1nncc1C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303242 820356983 /nfs/dbraw/zinc/35/69/83/820356983.db2.gz CBTOUDVVOFGUJS-UHFFFAOYSA-N 2 0 292.387 -0.493 20 0 CBADRP CN(C)C(=O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171293026 820357171 /nfs/dbraw/zinc/35/71/71/820357171.db2.gz CRYAPGBIBSZNSA-UHFFFAOYSA-N 2 0 282.388 -0.734 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171579255 820362162 /nfs/dbraw/zinc/36/21/62/820362162.db2.gz RUNLFBMBANDWNP-ZDUSSCGKSA-N 2 0 289.420 -0.179 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171578504 820362197 /nfs/dbraw/zinc/36/21/97/820362197.db2.gz BFBRGBKUQVBUBQ-LBPRGKRZSA-N 2 0 286.420 -0.051 20 0 CBADRP CCN1CC[C@H]([NH+]2CCN(CCC[NH3+])CC2)CC1=O ZINC001172033643 820380831 /nfs/dbraw/zinc/38/08/31/820380831.db2.gz QAHRIEFIVKPPSD-ZDUSSCGKSA-N 2 0 268.405 -0.036 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C1C[C@@H]2COC[C@H](C1)N2C ZINC001172133726 820383750 /nfs/dbraw/zinc/38/37/50/820383750.db2.gz GVOHEGHQZZTRHH-GSPSYOTPSA-N 2 0 298.431 -0.319 20 0 CBADRP [NH3+]CCN1CC[NH+]([C@@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172148576 820384058 /nfs/dbraw/zinc/38/40/58/820384058.db2.gz AVCJCQUOAFXLSR-OLZOCXBDSA-N 2 0 266.389 -0.284 20 0 CBADRP [NH3+]CCN1CC[NH+]([C@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172148578 820385042 /nfs/dbraw/zinc/38/50/42/820385042.db2.gz AVCJCQUOAFXLSR-STQMWFEESA-N 2 0 266.389 -0.284 20 0 CBADRP COCCC[NH+]1CCC(n2nnnc2C[NH3+])CC1 ZINC001172247208 820393010 /nfs/dbraw/zinc/39/30/10/820393010.db2.gz JZYSEGBNHPJKSO-UHFFFAOYSA-N 2 0 254.338 -0.195 20 0 CBADRP CC[N@@H+]1CC[C@@H](NC(=[NH2+])NCCC[C@H](N)C(=O)OC)C1 ZINC001173351504 820400421 /nfs/dbraw/zinc/40/04/21/820400421.db2.gz BRKGRMZNCFHRMR-MNOVXSKESA-N 2 0 285.392 -0.525 20 0 CBADRP COc1cccc2c1C[C@H]([NH2+]C[C@H](O)C[NH3+])CO2 ZINC001173146020 820401122 /nfs/dbraw/zinc/40/11/22/820401122.db2.gz UWSKCISQFVTEQI-VHSXEESVSA-N 2 0 252.314 -0.092 20 0 CBADRP CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176071523 820437570 /nfs/dbraw/zinc/43/75/70/820437570.db2.gz FNCKGIGUDUWNCS-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1)c1nnnn1C ZINC001176058619 820437731 /nfs/dbraw/zinc/43/77/31/820437731.db2.gz YYHVWDJDBIIIDU-WDEREUQCSA-N 2 0 295.391 -0.681 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCC2)C1 ZINC001176072488 820437802 /nfs/dbraw/zinc/43/78/02/820437802.db2.gz VYUCSVGCTRWFTI-LBPRGKRZSA-N 2 0 282.388 -0.734 20 0 CBADRP CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001176058095 820437910 /nfs/dbraw/zinc/43/79/10/820437910.db2.gz UKDGYMOQZJVBTM-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001176058438 820438018 /nfs/dbraw/zinc/43/80/18/820438018.db2.gz XJWPWPMWRPGXSA-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP CCn1nncc1C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176072418 820438945 /nfs/dbraw/zinc/43/89/45/820438945.db2.gz SMFVRHXZQPXGEW-LBPRGKRZSA-N 2 0 294.403 -0.154 20 0 CBADRP Cn1nncc1C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176072592 820438964 /nfs/dbraw/zinc/43/89/64/820438964.db2.gz ZPOJEXRVTKRDGN-LLVKDONJSA-N 2 0 280.376 -0.637 20 0 CBADRP CN1CCC[C@H]([NH2+]CCCNC(=O)C[NH+]2CCCC2)C1=O ZINC001176102131 820440598 /nfs/dbraw/zinc/44/05/98/820440598.db2.gz BIVRJBGTXORFSU-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP O=C(C[NH+]1CCCC1)NCCC[NH2+][C@H]1CCNC1=O ZINC001176102784 820441192 /nfs/dbraw/zinc/44/11/92/820441192.db2.gz LPIZHNFDDVPMET-NSHDSACASA-N 2 0 268.361 -0.933 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCCNC(=O)C[NH+]2CCCC2)C1=O ZINC001176110304 820441299 /nfs/dbraw/zinc/44/12/99/820441299.db2.gz KEYCEABBFWGESX-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176110027 820441678 /nfs/dbraw/zinc/44/16/78/820441678.db2.gz HWGUWHSUFCXUGZ-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CN1CC[C@@H]([NH2+]CCCNC(=O)C[NH+]2CCCC2)C1=O ZINC001176110312 820441938 /nfs/dbraw/zinc/44/19/38/820441938.db2.gz KPBOHSUTMKNAPC-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CCCO ZINC001176161825 820442374 /nfs/dbraw/zinc/44/23/74/820442374.db2.gz RWFWNXDJKWKPMY-ZDUSSCGKSA-N 2 0 287.404 -0.567 20 0 CBADRP C[C@@H](O)C[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176160365 820442595 /nfs/dbraw/zinc/44/25/95/820442595.db2.gz CCVVLKTVDMKQMI-QWHCGFSZSA-N 2 0 287.404 -0.569 20 0 CBADRP O=C(CCC[NH+]1CCCC1)NCCC[NH2+][C@@H]1CCNC1=O ZINC001176884527 820475008 /nfs/dbraw/zinc/47/50/08/820475008.db2.gz LQOZCKFRKZLCGS-CYBMUJFWSA-N 2 0 296.415 -0.153 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001176975424 820483994 /nfs/dbraw/zinc/48/39/94/820483994.db2.gz QIMXTQCUBMZAKH-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001176972028 820484189 /nfs/dbraw/zinc/48/41/89/820484189.db2.gz LDXWVLZHWYEZOP-NSHDSACASA-N 2 0 270.377 -0.689 20 0 CBADRP CN(C)[C@H](C(=O)NCCC[NH2+]CC(N)=O)c1cccnc1 ZINC001177064453 820491318 /nfs/dbraw/zinc/49/13/18/820491318.db2.gz QMGAARGATYPSEK-ZDUSSCGKSA-N 2 0 293.371 -0.735 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178356768 820576914 /nfs/dbraw/zinc/57/69/14/820576914.db2.gz RFPNNGNPHIHYSV-CRWXNKLISA-N 2 0 299.415 -0.333 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178356179 820577637 /nfs/dbraw/zinc/57/76/37/820577637.db2.gz JABUBTXTZXDPTQ-SRVKXCTJSA-N 2 0 282.388 -0.594 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001178700790 820596933 /nfs/dbraw/zinc/59/69/33/820596933.db2.gz BAWGEWGKCZRCIM-JTQLQIEISA-N 2 0 288.352 -0.865 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)CC1 ZINC001179007798 820613714 /nfs/dbraw/zinc/61/37/14/820613714.db2.gz CRRPRBBXUPNGLG-LLVKDONJSA-N 2 0 267.373 -0.083 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C)C(N)=O ZINC001179435770 820627521 /nfs/dbraw/zinc/62/75/21/820627521.db2.gz WASKUQFFNCKZDK-SRVKXCTJSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)CC[NH+](C)C ZINC001179482053 820630743 /nfs/dbraw/zinc/63/07/43/820630743.db2.gz QDKZBUNQLXRBBT-SRVKXCTJSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCCC[NH+](C)C ZINC001179967542 820646784 /nfs/dbraw/zinc/64/67/84/820646784.db2.gz FMERHIVNZXWRGR-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001180124606 820650673 /nfs/dbraw/zinc/65/06/73/820650673.db2.gz KPJSOVAEOUGOMR-AVGNSLFASA-N 2 0 296.415 -0.395 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)C[NH+]1CCCC1 ZINC001180132033 820652633 /nfs/dbraw/zinc/65/26/33/820652633.db2.gz SVLQNFSXWYWLSL-KBPBESRZSA-N 2 0 299.415 -0.330 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001180226639 820654830 /nfs/dbraw/zinc/65/48/30/820654830.db2.gz DQEFVMUHIMRXFH-STQMWFEESA-N 2 0 298.431 -0.006 20 0 CBADRP CC(C)[NH+]1CCN(CC(=O)N2CC([NH+](C)C)C2)CC1 ZINC001180341718 820670032 /nfs/dbraw/zinc/67/00/32/820670032.db2.gz BOEPPPSUCQFAOC-UHFFFAOYSA-N 2 0 268.405 -0.215 20 0 CBADRP CC(C)[NH+]1CCN(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])CC1 ZINC001180349078 820671018 /nfs/dbraw/zinc/67/10/18/820671018.db2.gz DGTXIBJHKWVCEH-UHFFFAOYSA-N 3 0 298.435 -0.527 20 0 CBADRP CC(C)[NH+]1CCN(CC(=O)n2cnc(C[NH3+])cc2=N)CC1 ZINC001180349782 820671110 /nfs/dbraw/zinc/67/11/10/820671110.db2.gz WHYJBZIMZOVTSK-UHFFFAOYSA-N 2 0 292.387 -0.513 20 0 CBADRP C[NH+](C)C1CN(C(=O)CC[NH+]2CCC(C(N)=O)CC2)C1 ZINC001180607896 820699403 /nfs/dbraw/zinc/69/94/03/820699403.db2.gz MYILFXLURXKRAN-UHFFFAOYSA-N 2 0 282.388 -0.654 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CN(C)CCO1 ZINC001180762596 820722083 /nfs/dbraw/zinc/72/20/83/820722083.db2.gz NWONEHFELHGTKW-LLVKDONJSA-N 2 0 285.392 -0.619 20 0 CBADRP N=c1cc(C[NH3+])ncn1C(=O)C12CC[NH+](CC1)CC2 ZINC001181551698 820796709 /nfs/dbraw/zinc/79/67/09/820796709.db2.gz LGHXAFRHNHXHTD-UHFFFAOYSA-N 2 0 261.329 -0.053 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001181653332 820807656 /nfs/dbraw/zinc/80/76/56/820807656.db2.gz XXIGNSHLNHUDEG-JHJVBQTASA-N 2 0 285.388 -0.722 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001181651340 820807995 /nfs/dbraw/zinc/80/79/95/820807995.db2.gz BFHIYAVQKIKKQD-CHWSQXEVSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)COCCO ZINC001181783996 820828675 /nfs/dbraw/zinc/82/86/75/820828675.db2.gz MYELQBHDJZZNSZ-UHFFFAOYSA-N 2 0 289.420 -0.273 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001181972744 820843223 /nfs/dbraw/zinc/84/32/23/820843223.db2.gz JEOGQLRXHJQJHM-SNVBAGLBSA-N 2 0 277.390 -0.536 20 0 CBADRP C[NH+]1CCC(O)(C(=O)N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)CC1 ZINC001182032776 820854894 /nfs/dbraw/zinc/85/48/94/820854894.db2.gz IWESFODNXYESKG-QWHCGFSZSA-N 2 0 281.400 -0.004 20 0 CBADRP C[NH+](C)C1(C)CN(C(=O)C2(O)CC[NH+](C)CC2)C1 ZINC001182032235 820855073 /nfs/dbraw/zinc/85/50/73/820855073.db2.gz HGIJAEFPDZVMEX-UHFFFAOYSA-N 2 0 255.362 -0.394 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C1(O)CC[NH+](C)CC1 ZINC001182036396 820858674 /nfs/dbraw/zinc/85/86/74/820858674.db2.gz AZDSWWKYTPCMIS-UHFFFAOYSA-N 3 0 299.419 -0.493 20 0 CBADRP CC(C)N1CC[C@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001182862408 820952102 /nfs/dbraw/zinc/95/21/02/820952102.db2.gz ZQXVFTDPHVWKDY-JTQLQIEISA-N 2 0 255.366 -0.070 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001183289429 820989407 /nfs/dbraw/zinc/98/94/07/820989407.db2.gz XMSAVXPEGUIDQQ-VXGBXAGGSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@]1(O)C=C[C@@H](O)C(C(=O)N(CCCC[NH3+])C(N)=[NH2+])=C1 ZINC001183552822 821006431 /nfs/dbraw/zinc/00/64/31/821006431.db2.gz ULYBXAJOIATGOZ-MFKMUULPSA-N 2 0 282.344 -0.945 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC)C1)[NH+](C)C ZINC001183582080 821007416 /nfs/dbraw/zinc/00/74/16/821007416.db2.gz RQGIZGPYLNETLX-QJPTWQEYSA-N 2 0 284.404 -0.348 20 0 CBADRP COC(=O)N[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C(C)C ZINC001183950114 821042370 /nfs/dbraw/zinc/04/23/70/821042370.db2.gz QKKJXUWSGJVHFS-VIFPVBQESA-N 2 0 287.364 -0.172 20 0 CBADRP CCOC(=O)[C@H](C)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001184227185 821061250 /nfs/dbraw/zinc/06/12/50/821061250.db2.gz DAGRIPDQSSPILQ-MRVPVSSYSA-N 2 0 258.322 -0.353 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cncc2C)C1 ZINC001184309271 821067942 /nfs/dbraw/zinc/06/79/42/821067942.db2.gz CHMWUNRNHQLJSV-LLVKDONJSA-N 2 0 279.344 -0.872 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CCC(=O)N1C ZINC001184339330 821070778 /nfs/dbraw/zinc/07/07/78/821070778.db2.gz ZJGDTTIADNVCPB-JTQLQIEISA-N 2 0 283.376 -0.329 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001184800437 821086404 /nfs/dbraw/zinc/08/64/04/821086404.db2.gz WGZCOGYLBAGAOY-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185071715 821097712 /nfs/dbraw/zinc/09/77/12/821097712.db2.gz AOWUZELENSZGQU-OLZOCXBDSA-N 2 0 298.431 -0.242 20 0 CBADRP COc1cc[nH]c(=O)c1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001185108680 821098722 /nfs/dbraw/zinc/09/87/22/821098722.db2.gz CLGFGOWFVYOUJV-UHFFFAOYSA-N 2 0 281.316 -0.130 20 0 CBADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001185230167 821103205 /nfs/dbraw/zinc/10/32/05/821103205.db2.gz OGWXZBMCXYYVRW-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185222429 821103723 /nfs/dbraw/zinc/10/37/23/821103723.db2.gz VNLBKTPCANMRJE-LLVKDONJSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@@H]1C[N@H+](C)CCN1C ZINC001185246110 821109611 /nfs/dbraw/zinc/10/96/11/821109611.db2.gz ZLMPHHPLRYIMAO-LBPRGKRZSA-N 2 0 256.394 -0.310 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001185249087 821112158 /nfs/dbraw/zinc/11/21/58/821112158.db2.gz NFEYLOQBILNGIO-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001185249426 821112585 /nfs/dbraw/zinc/11/25/85/821112585.db2.gz XCMCBKJXWSPNMM-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCOC[C@@H]1C[NH+](C)C ZINC001185258207 821113814 /nfs/dbraw/zinc/11/38/14/821113814.db2.gz QNTIUMLONZDREQ-STQMWFEESA-N 2 0 284.404 -0.979 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC(C)([NH+](C)C)C1 ZINC001185257857 821115272 /nfs/dbraw/zinc/11/52/72/821115272.db2.gz NBXSNPWUSLFOLU-NSHDSACASA-N 2 0 254.378 -0.605 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)NCC12CC[NH+](CC1)CC2 ZINC001185266572 821118855 /nfs/dbraw/zinc/11/88/55/821118855.db2.gz BXRXAEJWEUEXOM-ZDUSSCGKSA-N 2 0 280.416 -0.166 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)NCC12CC[NH+](CC1)CC2 ZINC001185266571 821119522 /nfs/dbraw/zinc/11/95/22/821119522.db2.gz BXRXAEJWEUEXOM-CYBMUJFWSA-N 2 0 280.416 -0.166 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CN(C)CCN1C ZINC001185270278 821121076 /nfs/dbraw/zinc/12/10/76/821121076.db2.gz XVVOHXWPUYMLCK-GFCCVEGCSA-N 2 0 298.435 -0.704 20 0 CBADRP CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001185401173 821127937 /nfs/dbraw/zinc/12/79/37/821127937.db2.gz LRXUDLHMPKKMAS-GFCCVEGCSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001185444824 821130475 /nfs/dbraw/zinc/13/04/75/821130475.db2.gz BZFWAKGTFMDDNH-OLZOCXBDSA-N 2 0 298.431 -0.112 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001185444823 821131030 /nfs/dbraw/zinc/13/10/30/821131030.db2.gz BZFWAKGTFMDDNH-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001185651349 821136274 /nfs/dbraw/zinc/13/62/74/821136274.db2.gz YPRWYAUEWYVBFZ-ZIAGYGMSSA-N 2 0 299.415 -0.330 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001185659667 821137872 /nfs/dbraw/zinc/13/78/72/821137872.db2.gz NZBTWDHAIWXYHO-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC)C1)[NH+](C)C ZINC001185716202 821140007 /nfs/dbraw/zinc/14/00/07/821140007.db2.gz RQGIZGPYLNETLX-UTUOFQBUSA-N 2 0 284.404 -0.348 20 0 CBADRP C[C@@H](COCC(=O)N1CC[C@@H]([NH2+]CCO)C1)[NH+]1CCCC1 ZINC001185742102 821141192 /nfs/dbraw/zinc/14/11/92/821141192.db2.gz GWCHMXJGZNMTBB-UONOGXRCSA-N 2 0 299.415 -0.330 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@@H](O)C3)C[C@H]2C1 ZINC001186043905 821153935 /nfs/dbraw/zinc/15/39/35/821153935.db2.gz AZGAOBNONPFFAY-HZSPNIEDSA-N 2 0 281.400 -0.147 20 0 CBADRP O=C(C[N@H+]1CC[C@@H](O)C1)N1CC2(C1)CC[NH+](CC1CC1)C2 ZINC001186036711 821154278 /nfs/dbraw/zinc/15/42/78/821154278.db2.gz CDOAUOWZEHGNEK-CQSZACIVSA-N 2 0 293.411 -0.003 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001186083246 821169269 /nfs/dbraw/zinc/16/92/69/821169269.db2.gz WZJAZHLSJIEZMR-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001186825070 821198810 /nfs/dbraw/zinc/19/88/10/821198810.db2.gz XXZLJPJVGMRWFY-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001186825008 821199757 /nfs/dbraw/zinc/19/97/57/821199757.db2.gz UXIANYBFUKHQKZ-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001186834478 821200150 /nfs/dbraw/zinc/20/01/50/821200150.db2.gz PCYDQMZFJXAYEM-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001187220388 821218155 /nfs/dbraw/zinc/21/81/55/821218155.db2.gz HBCDINRWYRVOFY-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1)C(N)=O ZINC001187230810 821220217 /nfs/dbraw/zinc/22/02/17/821220217.db2.gz DQEQQSCRQBZGQL-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N(CCO)CC[NH2+]CCO ZINC001279737196 828337473 /nfs/dbraw/zinc/33/74/73/828337473.db2.gz IPQZDWJEVFNUSE-KBPBESRZSA-N 2 0 299.415 -0.594 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CC1CC1 ZINC001279792051 828338136 /nfs/dbraw/zinc/33/81/36/828338136.db2.gz NXMUKWYDTCNCTJ-CYBMUJFWSA-N 2 0 269.389 -0.099 20 0 CBADRP O=C(N1CCO[C@@H](C[NH2+]CCO)C1)C12CCC[NH+]1CCC2 ZINC001280601459 828365610 /nfs/dbraw/zinc/36/56/10/828365610.db2.gz PFOKDEGVEXLGMD-ZDUSSCGKSA-N 2 0 297.399 -0.576 20 0 CBADRP COCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001280665365 828371410 /nfs/dbraw/zinc/37/14/10/828371410.db2.gz AYEFVDXSEPCZBH-ZDUSSCGKSA-N 2 0 285.388 -0.454 20 0 CBADRP COCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187825703 822298518 /nfs/dbraw/zinc/29/85/18/822298518.db2.gz RTNAUVMLLHLEFX-NWDGAFQWSA-N 2 0 255.362 -0.225 20 0 CBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCCO ZINC001281457911 828417103 /nfs/dbraw/zinc/41/71/03/828417103.db2.gz MPOHUXVQOFIGMA-QWHCGFSZSA-N 2 0 281.400 -0.099 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(O)(C[NH2+]CCF)CC2)C1 ZINC001281642434 828421872 /nfs/dbraw/zinc/42/18/72/828421872.db2.gz IVFSFIBUWBSYPR-LBPRGKRZSA-N 2 0 287.379 -0.149 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)CCO ZINC001281956410 828428688 /nfs/dbraw/zinc/42/86/88/828428688.db2.gz DJXVZDBUDNROGB-GFCCVEGCSA-N 2 0 257.378 -0.147 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001282947730 828478267 /nfs/dbraw/zinc/47/82/67/828478267.db2.gz OUBAAQKZYITBJU-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001282947728 828478569 /nfs/dbraw/zinc/47/85/69/828478569.db2.gz OUBAAQKZYITBJU-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H](C(=O)NCCNC(=O)C12CC[NH+](CC1)C2)[NH+](C)C ZINC001283086645 828495789 /nfs/dbraw/zinc/49/57/89/828495789.db2.gz OZRMOPADBRUVAY-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CCOCC[NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001283769791 828546237 /nfs/dbraw/zinc/54/62/37/828546237.db2.gz GFQNHBUDEZAGPF-ZDUSSCGKSA-N 2 0 299.415 -0.282 20 0 CBADRP C[NH+]1CCC(CC(=O)NC[C@@H](CO)[NH2+]CCCO)CC1 ZINC001283813436 828551231 /nfs/dbraw/zinc/55/12/31/828551231.db2.gz ORTBTFNKNCBHON-ZDUSSCGKSA-N 2 0 287.404 -0.833 20 0 CBADRP O=C(NC[C@@H](CO)[NH2+]CCF)C12CC[NH+](CC1)C2 ZINC001283816735 828552707 /nfs/dbraw/zinc/55/27/07/828552707.db2.gz KQUCOEJBCZUYSE-JTQLQIEISA-N 2 0 259.325 -0.882 20 0 CBADRP Cn1ccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cc1=O ZINC001189648166 823768706 /nfs/dbraw/zinc/76/87/06/823768706.db2.gz SUKSIWSKBGVLMS-UHFFFAOYSA-N 2 0 265.317 -0.540 20 0 CBADRP CCOC(=O)CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001189887124 823785149 /nfs/dbraw/zinc/78/51/49/823785149.db2.gz NBMNXACHYXYDGD-UHFFFAOYSA-N 2 0 288.392 -0.316 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H](N(C)CC(=O)N(C)C)C1)[NH+](C)C ZINC001190898487 823859191 /nfs/dbraw/zinc/85/91/91/823859191.db2.gz CJGJVUVJRPNOMF-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192016711 823938167 /nfs/dbraw/zinc/93/81/67/823938167.db2.gz JHKVWDZZCQZPNP-NWDGAFQWSA-N 2 0 296.415 -0.265 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045307 823942653 /nfs/dbraw/zinc/94/26/53/823942653.db2.gz CATPIJYSUKQHCK-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001192160841 823952898 /nfs/dbraw/zinc/95/28/98/823952898.db2.gz FMDYXWAYDDOFSA-VXGBXAGGSA-N 2 0 282.388 -0.641 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001192160838 823954388 /nfs/dbraw/zinc/95/43/88/823954388.db2.gz FMDYXWAYDDOFSA-NWDGAFQWSA-N 2 0 282.388 -0.641 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC001192948235 823993286 /nfs/dbraw/zinc/99/32/86/823993286.db2.gz QXYRWVWRTZPUMO-LBPRGKRZSA-N 2 0 257.378 -0.147 20 0 CBADRP COCCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001284470467 828599333 /nfs/dbraw/zinc/59/93/33/828599333.db2.gz VGQZPGOZQARLDG-QWHCGFSZSA-N 2 0 287.404 -0.617 20 0 CBADRP CN(C[C@@H](O)C[NH2+]CC1CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001284468888 828599997 /nfs/dbraw/zinc/59/99/97/828599997.db2.gz OZOOZMNIDHNNTP-OLZOCXBDSA-N 2 0 269.389 -0.243 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@H]2CCNC2=O)C1 ZINC001193293250 824019468 /nfs/dbraw/zinc/01/94/68/824019468.db2.gz ZFFZGDOUZNCVLW-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O)C1CC1 ZINC001193781754 824045066 /nfs/dbraw/zinc/04/50/66/824045066.db2.gz OODROBASSLDQDX-UPJWGTAASA-N 2 0 287.379 -0.153 20 0 CBADRP COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774936 824045594 /nfs/dbraw/zinc/04/55/94/824045594.db2.gz YHXNPVRIOMZAKT-YNEHKIRRSA-N 2 0 299.415 -0.333 20 0 CBADRP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193791855 824046560 /nfs/dbraw/zinc/04/65/60/824046560.db2.gz RSFQRJLQBSIODB-MGPQQGTHSA-N 2 0 299.415 -0.476 20 0 CBADRP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193791854 824046611 /nfs/dbraw/zinc/04/66/11/824046611.db2.gz RSFQRJLQBSIODB-MCIONIFRSA-N 2 0 299.415 -0.476 20 0 CBADRP COC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039195 824055953 /nfs/dbraw/zinc/05/59/53/824055953.db2.gz LJXQLUOZTPYNNN-KBPBESRZSA-N 2 0 299.415 -0.378 20 0 CBADRP C[N@H+](CCOCCO)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194036704 824056945 /nfs/dbraw/zinc/05/69/45/824056945.db2.gz COOGCNBJCYJSAO-AWEZNQCLSA-N 2 0 299.415 -0.376 20 0 CBADRP COC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039200 824057160 /nfs/dbraw/zinc/05/71/60/824057160.db2.gz LJXQLUOZTPYNNN-UONOGXRCSA-N 2 0 299.415 -0.378 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@@H]2CCNC2=O)C1 ZINC001194283484 824067250 /nfs/dbraw/zinc/06/72/50/824067250.db2.gz CBCIAMLWGNBDSZ-QWHCGFSZSA-N 2 0 296.415 -0.252 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194296033 824069325 /nfs/dbraw/zinc/06/93/25/824069325.db2.gz UTMYEGKJWWQVMD-CHWSQXEVSA-N 2 0 298.431 -0.006 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001195859742 824134633 /nfs/dbraw/zinc/13/46/33/824134633.db2.gz OAMRAVORMHWTLI-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871144 824135253 /nfs/dbraw/zinc/13/52/53/824135253.db2.gz LZVVZKFRQLSFAH-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195981051 824140314 /nfs/dbraw/zinc/14/03/14/824140314.db2.gz MNKHOPYQMGRXTO-JHJVBQTASA-N 2 0 287.404 -0.620 20 0 CBADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O)CC(C)(C)C ZINC001196222660 824153303 /nfs/dbraw/zinc/15/33/03/824153303.db2.gz WKQCBYXMFCNTND-VXGBXAGGSA-N 2 0 287.404 -0.882 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196307593 824155758 /nfs/dbraw/zinc/15/57/58/824155758.db2.gz PWGXXKPXOOEKMR-BFHYXJOUSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)COC)C[C@H]1O ZINC001197048513 824177168 /nfs/dbraw/zinc/17/71/68/824177168.db2.gz CLDGGBGZAMSFQG-JHJVBQTASA-N 2 0 287.404 -0.476 20 0 CBADRP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319356 824188277 /nfs/dbraw/zinc/18/82/77/824188277.db2.gz BCBNLIOPYUMRII-ZIAGYGMSSA-N 2 0 299.415 -0.333 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@H]1O ZINC001197493431 824193626 /nfs/dbraw/zinc/19/36/26/824193626.db2.gz MTPHTQVAMFLGMG-BFHYXJOUSA-N 2 0 299.415 -0.474 20 0 CBADRP Cc1cc(C(=O)NCC[NH2+]CCO)nn1-c1cc[nH+]cc1 ZINC001197542742 824194387 /nfs/dbraw/zinc/19/43/87/824194387.db2.gz FTOGIEOGTXHBQQ-UHFFFAOYSA-N 2 0 289.339 -0.113 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCCN([C@@H](C)C(=O)NC)CC1 ZINC001197705607 824198504 /nfs/dbraw/zinc/19/85/04/824198504.db2.gz BCDPVFFSSUTZDX-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]CCCO)C1 ZINC001284818711 828623413 /nfs/dbraw/zinc/62/34/13/828623413.db2.gz PPGKLYVLKADCQQ-PNESKVBLSA-N 2 0 269.389 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1O ZINC001198048799 824216606 /nfs/dbraw/zinc/21/66/06/824216606.db2.gz ZRFWITJMASNCDQ-VXGBXAGGSA-N 2 0 257.378 -0.102 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001198097399 824218604 /nfs/dbraw/zinc/21/86/04/824218604.db2.gz ACDNCQCWLOTEJV-KBPBESRZSA-N 2 0 299.415 -0.520 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198699947 824236690 /nfs/dbraw/zinc/23/66/90/824236690.db2.gz ZKYZCJJPKFLPML-JHJVBQTASA-N 2 0 285.388 -0.864 20 0 CBADRP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104418 824248622 /nfs/dbraw/zinc/24/86/22/824248622.db2.gz MHQFAAJOONOGMV-VXGBXAGGSA-N 2 0 273.377 -0.866 20 0 CBADRP CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111570 824249881 /nfs/dbraw/zinc/24/98/81/824249881.db2.gz BPMMYOLLZGENGZ-YNEHKIRRSA-N 2 0 287.404 -0.477 20 0 CBADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001199370271 824264332 /nfs/dbraw/zinc/26/43/32/824264332.db2.gz SOBNEPANIHDWHN-ZIAGYGMSSA-N 2 0 299.415 -0.594 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cc(CCO)ccn1 ZINC001199764070 824286522 /nfs/dbraw/zinc/28/65/22/824286522.db2.gz OYFNUDUBZDWZKO-UHFFFAOYSA-N 2 0 279.344 -0.309 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCOCCO)CC1 ZINC001199787872 824288100 /nfs/dbraw/zinc/28/81/00/824288100.db2.gz GJGQPVQATCQSKD-AWEZNQCLSA-N 2 0 299.415 -0.330 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001199788754 824289391 /nfs/dbraw/zinc/28/93/91/824289391.db2.gz YZSSBQPCNQZIQV-YPMHNXCESA-N 2 0 296.415 -0.204 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCCO)C1 ZINC001200122431 824307632 /nfs/dbraw/zinc/30/76/32/824307632.db2.gz DLOZBCLZHNHSGP-KBPBESRZSA-N 2 0 299.415 -0.330 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001200122439 824307976 /nfs/dbraw/zinc/30/79/76/824307976.db2.gz DLOZBCLZHNHSGP-ZIAGYGMSSA-N 2 0 299.415 -0.330 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCO)C2)CC[N@@H+]1C ZINC001200546383 824321753 /nfs/dbraw/zinc/32/17/53/824321753.db2.gz CQXVBIGSSCLFRW-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP CNC(=O)C[NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001201038008 824326943 /nfs/dbraw/zinc/32/69/43/824326943.db2.gz RONIESINSDRAQK-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+]1CCC(C(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)CC1 ZINC001201310209 824330884 /nfs/dbraw/zinc/33/08/84/824330884.db2.gz YPCQWGCYFOEJMA-AWEZNQCLSA-N 2 0 299.415 -0.472 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201931209 824339182 /nfs/dbraw/zinc/33/91/82/824339182.db2.gz JCKMGFGOBLOESP-ZDUSSCGKSA-N 2 0 287.404 -0.472 20 0 CBADRP COCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202056752 824340183 /nfs/dbraw/zinc/34/01/83/824340183.db2.gz BKIBREPMOOSYOB-KGLIPLIRSA-N 2 0 299.415 -0.208 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CCO)C2)C1 ZINC001202056663 824340814 /nfs/dbraw/zinc/34/08/14/824340814.db2.gz ARWRACBIIMJUOE-CHWSQXEVSA-N 2 0 285.388 -0.863 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001202057708 824341340 /nfs/dbraw/zinc/34/13/40/824341340.db2.gz GSSYBMCTRPQOHL-ZDUSSCGKSA-N 2 0 285.388 -0.718 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202060188 824341383 /nfs/dbraw/zinc/34/13/83/824341383.db2.gz UMRUEFCXFRQXSS-KBPBESRZSA-N 2 0 299.415 -0.330 20 0 CBADRP CNC(=O)C[NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001202217116 824342787 /nfs/dbraw/zinc/34/27/87/824342787.db2.gz JCHQCPZAXWOWLO-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CN1CC[C@H]([NH2+]C2CCN(C(=O)CC[NH+](C)C)CC2)C1=O ZINC001202330061 824346641 /nfs/dbraw/zinc/34/66/41/824346641.db2.gz AFHWIZZVGGFIND-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H]([NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1)C(=O)N(C)C ZINC001202331609 824346711 /nfs/dbraw/zinc/34/67/11/824346711.db2.gz UWOMLFHRXKMXBX-GFCCVEGCSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H]1CCC(=O)N1 ZINC001202843132 824352569 /nfs/dbraw/zinc/35/25/69/824352569.db2.gz FKIAKJLMRAOTOO-HZSPNIEDSA-N 2 0 280.416 -0.025 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001203015646 824357216 /nfs/dbraw/zinc/35/72/16/824357216.db2.gz ZIWKVQXYYHNPAC-QWHCGFSZSA-N 2 0 268.405 -0.215 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203351764 824361691 /nfs/dbraw/zinc/36/16/91/824361691.db2.gz ZLVHPIMSNDBHQS-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC001203442994 824362232 /nfs/dbraw/zinc/36/22/32/824362232.db2.gz OYLCHPWYBVJKFA-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC001203924563 824363767 /nfs/dbraw/zinc/36/37/67/824363767.db2.gz CVNYKRPYHKMEQI-UHFFFAOYSA-N 2 0 270.377 -0.608 20 0 CBADRP N[C@]1(c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)CC[NH2+]C1 ZINC001204882983 824372596 /nfs/dbraw/zinc/37/25/96/824372596.db2.gz ZKDOOLZAFGXOSJ-CQSZACIVSA-N 2 0 286.339 -0.075 20 0 CBADRP [NH3+]C[C@]1(O)CCC[N@H+](CC[C@@H]2C[NH2+]CCO2)CC1 ZINC001205209315 824375499 /nfs/dbraw/zinc/37/54/99/824375499.db2.gz IMQISOQGYMHJOS-OLZOCXBDSA-N 3 0 257.378 -0.459 20 0 CBADRP [NH3+]C[C@@]1(O)CCC[N@H+](CC[C@@H]2C[NH2+]CCO2)CC1 ZINC001205209312 824375527 /nfs/dbraw/zinc/37/55/27/824375527.db2.gz IMQISOQGYMHJOS-CHWSQXEVSA-N 3 0 257.378 -0.459 20 0 CBADRP N[C@@H]1NC(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)=CS1 ZINC001205209372 824375606 /nfs/dbraw/zinc/37/56/06/824375606.db2.gz IZGJCKSZKYJHRQ-MNOVXSKESA-N 2 0 258.391 -0.418 20 0 CBADRP Nc1ncc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)cn1 ZINC001205220058 824376359 /nfs/dbraw/zinc/37/63/59/824376359.db2.gz JPMSPNBZOWTBJD-LBPRGKRZSA-N 2 0 251.334 -0.266 20 0 CBADRP Nc1cnc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)cn1 ZINC001205247164 824376448 /nfs/dbraw/zinc/37/64/48/824376448.db2.gz CCASATIZZHVWHL-GFCCVEGCSA-N 2 0 251.334 -0.266 20 0 CBADRP C[NH+](C)C1(C(=O)N2CCC(C[NH2+]CC(N)=O)CC2)CCC1 ZINC001205457906 824379186 /nfs/dbraw/zinc/37/91/86/824379186.db2.gz VVPFKOFQOUUOCA-UHFFFAOYSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N1CCC(C[NH2+]CC(N)=O)CC1)C1CC1 ZINC001205461541 824379282 /nfs/dbraw/zinc/37/92/82/824379282.db2.gz MNLKZAVCIBCFTJ-CQSZACIVSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]1CC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@H]1C[NH3+] ZINC001205638840 824380702 /nfs/dbraw/zinc/38/07/02/824380702.db2.gz SMNDFGLENZLIII-NEPJUHHUSA-N 2 0 294.399 -0.109 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206079882 824391924 /nfs/dbraw/zinc/39/19/24/824391924.db2.gz UVZHMNNGNARDKB-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP Cn1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(=O)n(C)c1=O ZINC001206184113 824394588 /nfs/dbraw/zinc/39/45/88/824394588.db2.gz HPRSFUPEACKBAL-MNOVXSKESA-N 2 0 284.335 -0.655 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]CC(N)=O)CC2)C1 ZINC001206274574 824396517 /nfs/dbraw/zinc/39/65/17/824396517.db2.gz JTOJYKUQTYDZKL-GFCCVEGCSA-N 2 0 296.415 -0.358 20 0 CBADRP [NH3+]C[C@H]1C[N@H+](Cc2ccc(CCO)cc2)C[C@@H]1O ZINC001206530952 824402778 /nfs/dbraw/zinc/40/27/78/824402778.db2.gz XWLUOCXOZWHWSQ-KBPBESRZSA-N 2 0 250.342 -0.027 20 0 CBADRP CNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001206927766 824412782 /nfs/dbraw/zinc/41/27/82/824412782.db2.gz PEODKGZOAMNSSR-ZDUSSCGKSA-N 2 0 296.415 -0.488 20 0 CBADRP CNC(=O)C[NH2+]CC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001206952150 824414145 /nfs/dbraw/zinc/41/41/45/824414145.db2.gz ALINGLXDMJNJRI-UHFFFAOYSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+]1CCC(C[N@@H+]2CCN3C(=O)COC[C@@H]3C2)CC1 ZINC001207399572 824426683 /nfs/dbraw/zinc/42/66/83/824426683.db2.gz MZCYBUNGAIZZAU-ZDUSSCGKSA-N 2 0 267.373 -0.129 20 0 CBADRP O=C1COCC2(CC[NH+](CC3CC[NH2+]CC3)CC2)N1 ZINC001207435899 824427771 /nfs/dbraw/zinc/42/77/71/824427771.db2.gz NJJPTDBFDMCOQW-UHFFFAOYSA-N 2 0 267.373 -0.033 20 0 CBADRP COC(=O)[C@H]1CN(C)CCN1CC1CC[NH2+]CC1 ZINC001207441416 824427885 /nfs/dbraw/zinc/42/78/85/824427885.db2.gz BBGXJEAGNPSFST-GFCCVEGCSA-N 2 0 255.362 -0.225 20 0 CBADRP C[NH+]1CCC(CC[NH+]2CCN(CC(N)=O)CC2)CC1 ZINC001207487192 824428718 /nfs/dbraw/zinc/42/87/18/824428718.db2.gz RUOLUGCMTOQNNM-UHFFFAOYSA-N 2 0 268.405 -0.179 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207684212 824434354 /nfs/dbraw/zinc/43/43/54/824434354.db2.gz KNUUJWUGHJMKOU-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH+](C)CCN1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001208130225 824447141 /nfs/dbraw/zinc/44/71/41/824447141.db2.gz UNZFDPJVOUXHIQ-GFCCVEGCSA-N 2 0 256.394 -0.310 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001208335673 824451064 /nfs/dbraw/zinc/45/10/64/824451064.db2.gz XYNLMJOXNMYGPB-JSGCOSHPSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492174 824454037 /nfs/dbraw/zinc/45/40/37/824454037.db2.gz GFULVNBSQXFCIJ-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495918 824455171 /nfs/dbraw/zinc/45/51/71/824455171.db2.gz CUQABQIQBGKPJQ-UTUOFQBUSA-N 2 0 284.404 -0.362 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001208992951 824460728 /nfs/dbraw/zinc/46/07/28/824460728.db2.gz FCCUDBWCQZPXNX-BFHYXJOUSA-N 2 0 299.415 -0.332 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001209322922 824468568 /nfs/dbraw/zinc/46/85/68/824468568.db2.gz BORMYRMSPDFPLZ-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209315799 824468636 /nfs/dbraw/zinc/46/86/36/824468636.db2.gz UEFXIIKHLGUHBS-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001209303510 824468812 /nfs/dbraw/zinc/46/88/12/824468812.db2.gz KUAFPYVXFIYZOB-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209447090 824471856 /nfs/dbraw/zinc/47/18/56/824471856.db2.gz WXHRHERUQDKPFK-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001209454574 824471995 /nfs/dbraw/zinc/47/19/95/824471995.db2.gz MHKOOAWWOCFQDH-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209454466 824472110 /nfs/dbraw/zinc/47/21/10/824472110.db2.gz LRORKHAKHAKBQW-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001209454623 824472357 /nfs/dbraw/zinc/47/23/57/824472357.db2.gz MTHAKRXBTGPQRE-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001209632144 824473416 /nfs/dbraw/zinc/47/34/16/824473416.db2.gz KGGYWLULCDOGAH-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1OC)[NH+](C)C ZINC001212455245 824508182 /nfs/dbraw/zinc/50/81/82/824508182.db2.gz MVFIXKIJLQTUPY-JHJVBQTASA-N 2 0 287.404 -0.476 20 0 CBADRP CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342089 824510905 /nfs/dbraw/zinc/51/09/05/824510905.db2.gz GPBZALLOKXKPBA-YNEHKIRRSA-N 2 0 299.415 -0.476 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1OC ZINC001213597097 824512470 /nfs/dbraw/zinc/51/24/70/824512470.db2.gz UKOPHHUMMUVAIG-CHWSQXEVSA-N 2 0 287.404 -0.210 20 0 CBADRP CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730037 824514701 /nfs/dbraw/zinc/51/47/01/824514701.db2.gz BVYKXVHILWBBKV-VXGBXAGGSA-N 2 0 273.377 -0.600 20 0 CBADRP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213859727 824516428 /nfs/dbraw/zinc/51/64/28/824516428.db2.gz IVQRLBJHAXHXAF-MGPQQGTHSA-N 2 0 299.415 -0.210 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215463220 824541706 /nfs/dbraw/zinc/54/17/06/824541706.db2.gz MYVXUMYEYMUHBL-IJLUTSLNSA-N 2 0 284.404 -0.491 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215536901 824543916 /nfs/dbraw/zinc/54/39/16/824543916.db2.gz YMQXSAZFULDMCD-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001215993812 824545628 /nfs/dbraw/zinc/54/56/28/824545628.db2.gz FRNPXHMHRUCIGM-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001215998848 824545898 /nfs/dbraw/zinc/54/58/98/824545898.db2.gz FIVXSNZUTBSLCO-GRYCIOLGSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCOCCO ZINC001216749996 824548983 /nfs/dbraw/zinc/54/89/83/824548983.db2.gz KQVKBBVXMDDLNR-MGPQQGTHSA-N 2 0 299.415 -0.617 20 0 CBADRP C(O[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217797451 824562589 /nfs/dbraw/zinc/56/25/89/824562589.db2.gz AGDMENBZIJFBER-QTVXIADOSA-N 2 0 281.400 -0.184 20 0 CBADRP [NH3+]CCOCCOCCOCCO[C@@H]1CCC[NH2+]C1 ZINC001217860888 824563083 /nfs/dbraw/zinc/56/30/83/824563083.db2.gz PZTHIBUUWRORKP-CYBMUJFWSA-N 2 0 276.377 -0.237 20 0 CBADRP c1cc(O[C@@H]2CN3C[C@H]2[NH2+]CC3)nc2c1CC[NH2+]CC2 ZINC001218108592 824563757 /nfs/dbraw/zinc/56/37/57/824563757.db2.gz JSRJKDFNLXMNCO-ZIAGYGMSSA-N 2 0 274.368 -0.195 20 0 CBADRP NC(=O)[C@@H]([NH3+])Cc1ccc(OC[C@H]2C[NH2+]CCO2)cc1 ZINC001218178555 824564934 /nfs/dbraw/zinc/56/49/34/824564934.db2.gz XZDHWAYGSBZWBU-OLZOCXBDSA-N 2 0 279.340 -0.591 20 0 CBADRP Cn1cnc(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)n1 ZINC001218503308 824573590 /nfs/dbraw/zinc/57/35/90/824573590.db2.gz FRMRLEFKXRXBSJ-VIFPVBQESA-N 2 0 254.338 -0.187 20 0 CBADRP COC(=O)c1ccc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cn1 ZINC001218508837 824575499 /nfs/dbraw/zinc/57/54/99/824575499.db2.gz FAVYJYNTAHUVCS-SNVBAGLBSA-N 2 0 290.323 -0.384 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)C1 ZINC001218532509 824585307 /nfs/dbraw/zinc/58/53/07/824585307.db2.gz FTBHNFTVJKHLLA-BHNWBGBOSA-N 2 0 281.385 -0.413 20 0 CBADRP [NH3+][C@@H]1CCc2nc(NC(=O)[C@H]3[NH2+]CC[C@H]3O)sc2C1 ZINC001218535675 824585645 /nfs/dbraw/zinc/58/56/45/824585645.db2.gz ZEFHAHWRQYQYSX-YNEQXMIYSA-N 2 0 282.369 -0.380 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218532709 824585725 /nfs/dbraw/zinc/58/57/25/824585725.db2.gz JEGHBADZBASDOY-BQBZGAKWSA-N 2 0 269.374 -0.426 20 0 CBADRP [NH3+][C@@H]1CCc2nc(NC(=O)[C@@H]3C[NH2+]C[C@H]3O)sc2C1 ZINC001218535010 824586216 /nfs/dbraw/zinc/58/62/16/824586216.db2.gz VWHYJJCRTJGXQP-ZXFLCMHBSA-N 2 0 282.369 -0.522 20 0 CBADRP COCC[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218550984 824588335 /nfs/dbraw/zinc/58/83/35/824588335.db2.gz YFIDGYMDGFGFGQ-UONOGXRCSA-N 2 0 299.415 -0.114 20 0 CBADRP CN(C)c1cc[nH+]cc1NC(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001218562828 824591395 /nfs/dbraw/zinc/59/13/95/824591395.db2.gz CFKQDLNTHUEOHP-QWRGUYRKSA-N 2 0 250.302 -0.191 20 0 CBADRP Cc1nonc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218564444 824592720 /nfs/dbraw/zinc/59/27/20/824592720.db2.gz ZCDMSALHRZGBIG-SECBINFHSA-N 2 0 268.321 -0.933 20 0 CBADRP Cc1nc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)cc(=O)[nH]1 ZINC001218565361 824593193 /nfs/dbraw/zinc/59/31/93/824593193.db2.gz VEWBQWKJSITYNO-LLVKDONJSA-N 2 0 265.317 -0.244 20 0 CBADRP Cc1nonc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218564450 824593361 /nfs/dbraw/zinc/59/33/61/824593361.db2.gz ZCDMSALHRZGBIG-VIFPVBQESA-N 2 0 268.321 -0.933 20 0 CBADRP N=c1c(N)c(Cl)ccn1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218568038 824594690 /nfs/dbraw/zinc/59/46/90/824594690.db2.gz XFUCZFDGTLWANC-ZETCQYMHSA-N 2 0 281.747 -0.348 20 0 CBADRP N=c1c(N)c(Cl)ccn1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218567439 824595118 /nfs/dbraw/zinc/59/51/18/824595118.db2.gz QPDNUNUZBFKAFW-ZETCQYMHSA-N 2 0 289.792 -0.137 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1noc2nccnc12 ZINC001218574296 824597524 /nfs/dbraw/zinc/59/75/24/824597524.db2.gz QGWHVLGKQZGVGF-ZCFIWIBFSA-N 2 0 250.262 -0.378 20 0 CBADRP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001218582209 824599775 /nfs/dbraw/zinc/59/97/75/824599775.db2.gz OSXBSPJSORKBDF-QWHCGFSZSA-N 2 0 285.388 -0.768 20 0 CBADRP CC(=O)Nc1cc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])ncn1 ZINC001218611075 824603574 /nfs/dbraw/zinc/60/35/74/824603574.db2.gz UPDLJMMGQRJZFU-QMMMGPOBSA-N 2 0 298.372 -0.607 20 0 CBADRP CC(=O)Nc1cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)ncn1 ZINC001218609578 824603772 /nfs/dbraw/zinc/60/37/72/824603772.db2.gz HWYCBKHOEAMPQT-VIFPVBQESA-N 2 0 290.327 -0.818 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)n1c(Cl)ncc(N)c1=N ZINC001218620636 824606562 /nfs/dbraw/zinc/60/65/62/824606562.db2.gz CKLKIGGEWJFAEI-QMMMGPOBSA-N 2 0 286.767 -0.045 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)n1cc(N)c(N)n1 ZINC001218626409 824607824 /nfs/dbraw/zinc/60/78/24/824607824.db2.gz IJKZDCGJJAXCEA-QMMMGPOBSA-N 2 0 254.338 -0.253 20 0 CBADRP COc1nc(Cl)ncc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218634772 824610256 /nfs/dbraw/zinc/61/02/56/824610256.db2.gz NGJZVUFCMRJPGB-ZETCQYMHSA-N 2 0 297.746 -0.114 20 0 CBADRP COC(=O)c1onc(C)c1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218635911 824611421 /nfs/dbraw/zinc/61/14/21/824611421.db2.gz LFBUZJYHAGTKMO-ZETCQYMHSA-N 2 0 270.289 -0.226 20 0 CBADRP COC(=O)c1onc(C)c1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218635905 824612172 /nfs/dbraw/zinc/61/21/72/824612172.db2.gz LFBUZJYHAGTKMO-SSDOTTSWSA-N 2 0 270.289 -0.226 20 0 CBADRP N[C@]1(C(=O)Nc2cnn(C3C[NH2+]C3)c2)CCC[NH2+]C1 ZINC001218641783 824612746 /nfs/dbraw/zinc/61/27/46/824612746.db2.gz VBSJRVMIHZCKFK-GFCCVEGCSA-N 2 0 264.333 -0.953 20 0 CBADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218640069 824613021 /nfs/dbraw/zinc/61/30/21/824613021.db2.gz DUQUIRQPFZBFHS-QMTHXVAHSA-N 3 0 290.371 -0.835 20 0 CBADRP O=C(Nc1cn[nH]c(=O)c1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218652213 824615692 /nfs/dbraw/zinc/61/56/92/824615692.db2.gz JOBGBNUIUDSTKC-JTQLQIEISA-N 2 0 277.328 -0.005 20 0 CBADRP COc1ncnc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c1OC ZINC001218653462 824616791 /nfs/dbraw/zinc/61/67/91/824616791.db2.gz SNYFOGVIZNLXQC-SECBINFHSA-N 2 0 295.343 -0.241 20 0 CBADRP COc1ncnc(NC(=O)[C@H]([NH3+])CCC[NH3+])c1OC ZINC001218653676 824617446 /nfs/dbraw/zinc/61/74/46/824617446.db2.gz XVNNUKWXHMMHIY-SSDOTTSWSA-N 2 0 269.305 -0.502 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1[nH]c(=O)[nH]c(=O)c1N=O ZINC001218672825 824619148 /nfs/dbraw/zinc/61/91/48/824619148.db2.gz ZCIHYPGERUJDIP-SCSAIBSYSA-N 2 0 270.249 -0.710 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)n1ccc(=[NH2+])c(N)c1 ZINC001218693236 824622152 /nfs/dbraw/zinc/62/21/52/824622152.db2.gz HYRULTCWTUIBAU-QPFGOUBPSA-N 2 0 256.331 -0.714 20 0 CBADRP Nc1cn(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)ccc1=[NH2+] ZINC001218692440 824622657 /nfs/dbraw/zinc/62/26/57/824622657.db2.gz VTKGYCBTKGLWBK-NOZJJQNGSA-N 3 0 261.329 -0.611 20 0 CBADRP Cc1cc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc(=O)o1 ZINC001218683202 824622708 /nfs/dbraw/zinc/62/27/08/824622708.db2.gz VVOIBQXYOFABBA-GFCCVEGCSA-N 2 0 294.355 -0.363 20 0 CBADRP Cc1nnc2cc(NC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)ccn12 ZINC001218699141 824623210 /nfs/dbraw/zinc/62/32/10/824623210.db2.gz DGZFPMKRUHGFDM-LLVKDONJSA-N 2 0 286.339 -0.215 20 0 CBADRP [NH3+]Cc1cncc(NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)c1 ZINC001218704367 824626264 /nfs/dbraw/zinc/62/62/64/824626264.db2.gz PMAFMLUVXMVXKT-NSHDSACASA-N 2 0 260.301 -0.228 20 0 CBADRP CCOC(=O)c1nc(NC(=O)[C@H]([NH3+])CCC[NH3+])cn1C ZINC001218707967 824626368 /nfs/dbraw/zinc/62/63/68/824626368.db2.gz WGOIJJPIBVLABV-MRVPVSSYSA-N 2 0 283.332 -0.399 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)Nc1cncc(C[NH3+])c1 ZINC001218705489 824626455 /nfs/dbraw/zinc/62/64/55/824626455.db2.gz RANMSGHFNHJZLW-XTZNXHDOSA-N 2 0 270.358 -0.425 20 0 CBADRP [NH3+]Cc1cncc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c1 ZINC001218705524 824626616 /nfs/dbraw/zinc/62/66/16/824626616.db2.gz SLXMLODYFFJUQM-GFCCVEGCSA-N 3 0 263.345 -0.194 20 0 CBADRP O=C(Nc1cc([C@@H]2CCC[NH2+]2)no1)[C@H]1C[NH2+]C[C@@H]1O ZINC001218712202 824627689 /nfs/dbraw/zinc/62/76/89/824627689.db2.gz NSMYKBQPOJZKKR-NRPADANISA-N 2 0 266.301 -0.382 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218726304 824629141 /nfs/dbraw/zinc/62/91/41/824629141.db2.gz JOJXDKZDZFFCJE-VXGBXAGGSA-N 3 0 293.371 -0.173 20 0 CBADRP N[C@@H](C[NH3+])C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218724183 824629273 /nfs/dbraw/zinc/62/92/73/824629273.db2.gz FGIUDWIFNPSGQK-NSHDSACASA-N 2 0 278.360 -0.766 20 0 CBADRP CCN=c1ncc(N)cn1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218739549 824630841 /nfs/dbraw/zinc/63/08/41/824630841.db2.gz FCYSZJHFGGGIBE-QMTHXVAHSA-N 2 0 290.371 -0.775 20 0 CBADRP CN=c1c(N)cc(Cl)nn1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218743714 824631356 /nfs/dbraw/zinc/63/13/56/824631356.db2.gz XHCUUAOUKGFSGY-SNVBAGLBSA-N 2 0 298.778 -0.384 20 0 CBADRP O=C(Nc1cn(CCF)cn1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218743466 824631847 /nfs/dbraw/zinc/63/18/47/824631847.db2.gz UAXLJFLFPUBKRI-SECBINFHSA-N 2 0 267.308 -0.400 20 0 CBADRP O=C(Nc1cn(CCF)cn1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218743462 824632338 /nfs/dbraw/zinc/63/23/38/824632338.db2.gz TYLKNRLGWXITQN-ZWNOBZJWSA-N 2 0 281.335 -0.010 20 0 CBADRP CN(C)c1cc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)[nH]n1 ZINC001218743743 824632871 /nfs/dbraw/zinc/63/28/71/824632871.db2.gz YCNUJKOUPSDBCD-SNVBAGLBSA-N 2 0 295.391 -0.835 20 0 CBADRP CN(C)c1cc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)[nH]n1 ZINC001218743739 824633279 /nfs/dbraw/zinc/63/32/79/824633279.db2.gz YCNUJKOUPSDBCD-JTQLQIEISA-N 2 0 295.391 -0.835 20 0 CBADRP CCOC(=O)c1nc(NC(=O)[C@H]([NH3+])CCC[NH3+])c[nH]1 ZINC001218763736 824636475 /nfs/dbraw/zinc/63/64/75/824636475.db2.gz HEIWMYZKHPRLNE-SSDOTTSWSA-N 2 0 269.305 -0.409 20 0 CBADRP [NH3+][C@@H](C(=O)Nc1cnn2c1OCCC2)C1CC[NH2+]CC1 ZINC001218793989 824639279 /nfs/dbraw/zinc/63/92/79/824639279.db2.gz JUOSNCNCNMIUMC-LLVKDONJSA-N 2 0 279.344 -0.069 20 0 CBADRP CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)c1ccccc1N ZINC001218883127 824646044 /nfs/dbraw/zinc/64/60/44/824646044.db2.gz IRGBFZOXFOMBEP-CYBMUJFWSA-N 2 0 291.399 -0.018 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001219025566 824652270 /nfs/dbraw/zinc/65/22/70/824652270.db2.gz MEYNAXBHQBDRLW-NSHDSACASA-N 2 0 265.313 -0.183 20 0 CBADRP COCCN1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219052028 824653864 /nfs/dbraw/zinc/65/38/64/824653864.db2.gz ALQXIYCUPBFBAX-UONOGXRCSA-N 2 0 299.415 -0.115 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001219028069 824654845 /nfs/dbraw/zinc/65/48/45/824654845.db2.gz OEBOZBCOKHIZBF-NSHDSACASA-N 2 0 264.329 -0.217 20 0 CBADRP N[C@]1(C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)CC[NH2+]C1 ZINC001219119264 824664455 /nfs/dbraw/zinc/66/44/55/824664455.db2.gz WCODOKUVKWQASX-OAHLLOKOSA-N 2 0 289.383 -0.275 20 0 CBADRP O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC001219118823 824664569 /nfs/dbraw/zinc/66/45/69/824664569.db2.gz QNNIHJHPZYPDAA-KBPBESRZSA-N 2 0 290.367 -0.385 20 0 CBADRP Nc1cccc2c1N(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001219439877 824710240 /nfs/dbraw/zinc/71/02/40/824710240.db2.gz NHMJWYYRLHLSEI-LLVKDONJSA-N 2 0 272.352 -0.033 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219532638 824722953 /nfs/dbraw/zinc/72/29/53/824722953.db2.gz BPUAECRGXQLOCP-LNLATYFQSA-N 2 0 277.324 -0.217 20 0 CBADRP O=C(Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2)[C@H]1C[NH2+]CCN1 ZINC001219537323 824723371 /nfs/dbraw/zinc/72/33/71/824723371.db2.gz KZCFOMATUSEBNO-UFGOTCBOSA-N 2 0 288.351 -0.366 20 0 CBADRP O=C(Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2)[C@H]1C[NH2+]CCN1 ZINC001219537321 824723545 /nfs/dbraw/zinc/72/35/45/824723545.db2.gz KZCFOMATUSEBNO-NDMJEZRESA-N 2 0 288.351 -0.366 20 0 CBADRP N[C@]1(C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@@H]2O3)CC[NH2+]C1 ZINC001219538167 824724741 /nfs/dbraw/zinc/72/47/41/824724741.db2.gz VUHZBHKCKALRLA-MURWCNHISA-N 2 0 288.351 -0.236 20 0 CBADRP O=C(Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219537922 824725485 /nfs/dbraw/zinc/72/54/85/824725485.db2.gz RNLLCOKYHNXHNV-INTNWOOBSA-N 2 0 289.335 -0.204 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCC[NH+](C)C ZINC001219553942 824728005 /nfs/dbraw/zinc/72/80/05/824728005.db2.gz RXPWCUQVGXOEMA-NSHDSACASA-N 2 0 258.366 -0.702 20 0 CBADRP Cc1cccnc1CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219563614 824730240 /nfs/dbraw/zinc/73/02/40/824730240.db2.gz DDFLSJJMNPNOKB-ZDUSSCGKSA-N 2 0 291.399 -0.243 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCn1ccnc1 ZINC001219564092 824731124 /nfs/dbraw/zinc/73/11/24/824731124.db2.gz RBFWZAJOQPKMNS-NSHDSACASA-N 2 0 253.350 -0.284 20 0 CBADRP CCOC(=O)C1(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C[NH2+]C1 ZINC001219585120 824735890 /nfs/dbraw/zinc/73/58/90/824735890.db2.gz VTWLTNXQYKAPLO-UWVGGRQHSA-N 2 0 269.345 -0.604 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@@]2(C)CC[NH2+]C[C@H]2O)C[NH2+]1 ZINC001219582856 824736298 /nfs/dbraw/zinc/73/62/98/824736298.db2.gz LXLHVJKKAMCAFR-KQXIARHKSA-N 2 0 255.362 -0.396 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=O)C[NH2+]1 ZINC001219582331 824736514 /nfs/dbraw/zinc/73/65/14/824736514.db2.gz BHQHSNJLOBJUTJ-GUBZILKMSA-N 2 0 271.365 -0.981 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C[NH2+]1 ZINC001219586942 824737555 /nfs/dbraw/zinc/73/75/55/824737555.db2.gz KFTLKYZNYSWUDS-ZMLRMANQSA-N 3 0 254.378 -0.430 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]3CCO[C@@H]32)C[NH2+]1 ZINC001219586897 824737756 /nfs/dbraw/zinc/73/77/56/824737756.db2.gz ILJJKCQHAMMPIZ-OFTGVCEQSA-N 2 0 267.373 -0.132 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C[NH2+]1 ZINC001219586941 824738098 /nfs/dbraw/zinc/73/80/98/824738098.db2.gz KFTLKYZNYSWUDS-DLOVCJGASA-N 3 0 254.378 -0.430 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@H](O)c1ccco1 ZINC001219604072 824849650 /nfs/dbraw/zinc/84/96/50/824849650.db2.gz ISVIJSLXTGDBNS-IUCAKERBSA-N 2 0 273.358 -0.552 20 0 CBADRP O=C(NC[C@@H](O)c1ccco1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219604355 824851174 /nfs/dbraw/zinc/85/11/74/824851174.db2.gz NEOWAOGXYVXIOS-NXEZZACHSA-N 2 0 265.313 -0.762 20 0 CBADRP O=C(NC[C@@H](O)c1ccco1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219604360 824851570 /nfs/dbraw/zinc/85/15/70/824851570.db2.gz NEOWAOGXYVXIOS-VHSXEESVSA-N 2 0 265.313 -0.762 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219610691 824853986 /nfs/dbraw/zinc/85/39/86/824853986.db2.gz QPQWYTRUDSQCFF-CBAPKCEASA-N 2 0 283.250 -0.713 20 0 CBADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219610956 824854187 /nfs/dbraw/zinc/85/41/87/824854187.db2.gz UOCCXORUWMMCAB-ZXFLCMHBSA-N 2 0 267.251 -0.880 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[NH2+]C[C@@H](F)C1 ZINC001219617624 824856626 /nfs/dbraw/zinc/85/66/26/824856626.db2.gz MZCBSXQUNIPMMX-QFOLPQNPSA-N 2 0 277.315 -0.887 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1C[NH+]2CCC1CC2 ZINC001219619543 824858391 /nfs/dbraw/zinc/85/83/91/824858391.db2.gz JNRJGKXDCFVUNH-SGMGOOAPSA-N 2 0 285.363 -0.493 20 0 CBADRP CC(C)C[C@H]([NH3+])CC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219618113 824859051 /nfs/dbraw/zinc/85/90/51/824859051.db2.gz VGBVAHZHHSLUHK-GMXVVIOVSA-N 2 0 275.368 -0.071 20 0 CBADRP CC1(C)C[NH2+][C@@](C)(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219617981 824859404 /nfs/dbraw/zinc/85/94/04/824859404.db2.gz SVAXNJQQCKYJNV-ZLKJLUDKSA-N 2 0 287.379 -0.057 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@]12CC[C@H]1C[NH2+]C2 ZINC001219617737 824859683 /nfs/dbraw/zinc/85/96/83/824859683.db2.gz OQTSYRIHUJAQJZ-YRRQLQLVSA-N 2 0 271.336 -0.835 20 0 CBADRP CC[NH+](CC)CC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617929 824859716 /nfs/dbraw/zinc/85/97/16/824859716.db2.gz REQDXTPCWWZOGK-CMPLNLGQSA-N 2 0 261.341 -0.493 20 0 CBADRP [NH3+]Cc1ccnc(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)c1 ZINC001219624147 824860645 /nfs/dbraw/zinc/86/06/45/824860645.db2.gz CSRXAXCAMYVTMY-WCQYABFASA-N 2 0 282.319 -0.667 20 0 CBADRP [NH3+]C12CCC(C(=O)NC[C@]3(O)CC[NH2+]C[C@@H]3F)(CC1)C2 ZINC001219622506 824861064 /nfs/dbraw/zinc/86/10/64/824861064.db2.gz VZGVBRAQLQDCCG-KWCMIHLGSA-N 2 0 285.363 -0.173 20 0 CBADRP CC(C)(C)[N@@H+]1CCN[C@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC001219635308 824867066 /nfs/dbraw/zinc/86/70/66/824867066.db2.gz AENZQZYDKUDNBU-SRVKXCTJSA-N 2 0 286.395 -0.125 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219636225 824867366 /nfs/dbraw/zinc/86/73/66/824867366.db2.gz XKWJWVQWSYZQPM-ZOBORPQBSA-N 2 0 298.406 -0.124 20 0 CBADRP C[C@H]1OCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219633782 824867707 /nfs/dbraw/zinc/86/77/07/824867707.db2.gz DWGVXMZNHWNCDX-VWYCJHECSA-N 2 0 253.346 -0.663 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219635400 824868014 /nfs/dbraw/zinc/86/80/14/824868014.db2.gz FMKXXIUXVNNSMG-SDDRHHMPSA-N 3 0 284.379 -0.323 20 0 CBADRP Cn1cnc(CCNC(=O)[C@@H]([NH3+])CSCC[NH3+])c1 ZINC001219634406 824868164 /nfs/dbraw/zinc/86/81/64/824868164.db2.gz WTMOMQXUBWYVEH-JTQLQIEISA-N 2 0 271.390 -0.902 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)CNC2CC[NH2+]CC2)C1 ZINC001219640609 824868620 /nfs/dbraw/zinc/86/86/20/824868620.db2.gz AUDQBSDNOMBHEQ-RYUDHWBXSA-N 2 0 268.405 -0.310 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001219642041 824869861 /nfs/dbraw/zinc/86/98/61/824869861.db2.gz OKUYFGHHKFTTLZ-QNWJLWSRSA-N 2 0 266.389 -0.702 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])Cn2cccn2)C1 ZINC001219641729 824870270 /nfs/dbraw/zinc/87/02/70/824870270.db2.gz KWWYCPXVXPDUJJ-WOPDTQHZSA-N 2 0 265.361 -0.428 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001219642425 824870339 /nfs/dbraw/zinc/87/03/39/824870339.db2.gz SRJJDSUDSDBDKL-IEECTRCBSA-N 2 0 267.373 -0.417 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001219642545 824870692 /nfs/dbraw/zinc/87/06/92/824870692.db2.gz VDJSYCOOFZJQAX-OUCADQQQSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2C[NH2+]CCC2=O)C1 ZINC001219645356 824871133 /nfs/dbraw/zinc/87/11/33/824871133.db2.gz KTXIHMKNRBMXSI-GARJFASQSA-N 2 0 253.346 -0.473 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)C1 ZINC001219642838 824871448 /nfs/dbraw/zinc/87/14/48/824871448.db2.gz YGEZIRSDDKBFBQ-OBPIAQAESA-N 2 0 267.373 -0.275 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)COCCOCC[NH3+])C1 ZINC001219644423 824871791 /nfs/dbraw/zinc/87/17/91/824871791.db2.gz AWITUULHEBDWCI-NWDGAFQWSA-N 2 0 273.377 -0.660 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001219648998 824872809 /nfs/dbraw/zinc/87/28/09/824872809.db2.gz CZQMDVGJSZIKCA-SCRDCRAPSA-N 3 0 297.447 -0.901 20 0 CBADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219648966 824873031 /nfs/dbraw/zinc/87/30/31/824873031.db2.gz CRQFRQLYCSLSQQ-VPOLOUISSA-N 2 0 270.377 -0.800 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001219649951 824873136 /nfs/dbraw/zinc/87/31/36/824873136.db2.gz LWPDONXXUVNWHO-GVXVVHGQSA-N 3 0 268.405 -0.325 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001219649952 824873358 /nfs/dbraw/zinc/87/33/58/824873358.db2.gz LWPDONXXUVNWHO-LOWVWBTDSA-N 3 0 268.405 -0.325 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001219651675 824874169 /nfs/dbraw/zinc/87/41/69/824874169.db2.gz XKONCHSHMXAEJK-AXFHLTTASA-N 3 0 274.434 -0.633 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219651623 824875031 /nfs/dbraw/zinc/87/50/31/824875031.db2.gz WXKWJBOSHXBLAY-AGIUHOORSA-N 2 0 298.431 -0.162 20 0 CBADRP C[C@@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C[NH2+]1 ZINC001219685037 824877508 /nfs/dbraw/zinc/87/75/08/824877508.db2.gz VOOZXGLTMKKDEI-MXWKQRLJSA-N 2 0 268.361 -0.950 20 0 CBADRP C[C@@H]1C[C@@H](CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[NH2+]1 ZINC001219684538 824877698 /nfs/dbraw/zinc/87/76/98/824877698.db2.gz PLNPEOCNIZIMQK-JHJVBQTASA-N 3 0 280.416 -0.025 20 0 CBADRP N[C@H](C[NH3+])c1ccc(C(=O)NCCC2(O)C[NH2+]C2)cc1 ZINC001219697333 824881125 /nfs/dbraw/zinc/88/11/25/824881125.db2.gz SIGNKRMNXPTXNJ-GFCCVEGCSA-N 2 0 278.356 -0.901 20 0 CBADRP O=C(NCCC1(O)C[NH2+]C1)[C@@H]1[NH2+]CCc2cc(F)ccc21 ZINC001219697003 824881175 /nfs/dbraw/zinc/88/11/75/824881175.db2.gz OPIFISFGPUVOMS-CYBMUJFWSA-N 2 0 293.342 -0.147 20 0 CBADRP CN1CCO[C@H](CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001219695770 824881550 /nfs/dbraw/zinc/88/15/50/824881550.db2.gz YAVXKSMSMADVPK-CHWSQXEVSA-N 2 0 296.415 -0.693 20 0 CBADRP C[C@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C1CC1 ZINC001219695816 824881908 /nfs/dbraw/zinc/88/19/08/824881908.db2.gz ZDJPGWPRLNBCMD-CABZTGNLSA-N 2 0 254.378 -0.349 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC001219712449 824884331 /nfs/dbraw/zinc/88/43/31/824884331.db2.gz PGQCRDPRIIOQMB-JHJVBQTASA-N 2 0 261.325 -0.850 20 0 CBADRP C[C@]([NH3+])(Cc1ccc(F)cc1)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219719929 824886198 /nfs/dbraw/zinc/88/61/98/824886198.db2.gz AOKAMFGQVXJXHH-SCRDCRAPSA-N 2 0 281.331 -0.072 20 0 CBADRP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)N[C@@H]2COC[C@@H]2[NH3+])C1 ZINC001219719927 824886740 /nfs/dbraw/zinc/88/67/40/824886740.db2.gz ANMPSDCUZXCWPV-VPOLOUISSA-N 2 0 271.361 -0.626 20 0 CBADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001219721006 824887266 /nfs/dbraw/zinc/88/72/66/824887266.db2.gz XQDLSRMNAYAFRJ-GFQSEFKGSA-N 2 0 283.372 -0.623 20 0 CBADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)C1CC2(C[NH2+]C2)C1 ZINC001219737439 824887686 /nfs/dbraw/zinc/88/76/86/824887686.db2.gz WACFKCURZFDRFK-LLVKDONJSA-N 2 0 265.357 -0.519 20 0 CBADRP [NH3+]C1(C(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)O2)CC1 ZINC001219741433 824888162 /nfs/dbraw/zinc/88/81/62/824888162.db2.gz KMWSIHIYUPCHCC-JTQLQIEISA-N 2 0 253.346 -0.105 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741416 824888215 /nfs/dbraw/zinc/88/82/15/824888215.db2.gz JQTRJQJVYCHLHN-RYUDHWBXSA-N 2 0 299.371 -0.706 20 0 CBADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1CC[NH2+]1 ZINC001219741227 824888411 /nfs/dbraw/zinc/88/84/11/824888411.db2.gz DLVQGBBXHKHSHR-QWRGUYRKSA-N 2 0 253.346 -0.234 20 0 CBADRP [NH3+]C1(C(=O)NC[C@H]2CCC3(CC[NH2+]CC3)O2)CC1 ZINC001219741434 824888808 /nfs/dbraw/zinc/88/88/08/824888808.db2.gz KMWSIHIYUPCHCC-SNVBAGLBSA-N 2 0 253.346 -0.105 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC001219737056 824888825 /nfs/dbraw/zinc/88/88/25/824888825.db2.gz NQONUQHYVWRKDK-IJLUTSLNSA-N 2 0 267.373 -0.131 20 0 CBADRP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219743875 824890141 /nfs/dbraw/zinc/89/01/41/824890141.db2.gz OLKQLYWJPWGEGZ-NDBYEHHHSA-N 2 0 279.384 -0.131 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744034 824890187 /nfs/dbraw/zinc/89/01/87/824890187.db2.gz QUTXEOFPOBYYAA-STQMWFEESA-N 2 0 297.399 -0.218 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)O2)C1 ZINC001219743964 824890394 /nfs/dbraw/zinc/89/03/94/824890394.db2.gz PZDAPTDMRPUBGE-WOPDTQHZSA-N 2 0 282.388 -0.907 20 0 CBADRP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219743670 824890526 /nfs/dbraw/zinc/89/05/26/824890526.db2.gz JLPDMEVPOBIGTA-IJLUTSLNSA-N 2 0 283.372 -0.873 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)CCC[NH2+]1 ZINC001219765885 824891818 /nfs/dbraw/zinc/89/18/18/824891818.db2.gz GOBGRAMUIHWQGX-MBNYWOFBSA-N 2 0 266.389 -0.462 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219769207 824892077 /nfs/dbraw/zinc/89/20/77/824892077.db2.gz UIWDTLXMTCETLM-GFCCVEGCSA-N 2 0 258.341 -0.901 20 0 CBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777369 824893115 /nfs/dbraw/zinc/89/31/15/824893115.db2.gz HQDBHGSNXDZPKA-QWHCGFSZSA-N 2 0 295.383 -0.214 20 0 CBADRP C[NH2+][C@H](C(=O)NC1CC2(C1)CC[NH2+]CC2)[C@@H](C)O ZINC001219777159 824893344 /nfs/dbraw/zinc/89/33/44/824893344.db2.gz ANBSOZXSFXQVRE-KOLCDFICSA-N 2 0 255.362 -0.396 20 0 CBADRP [NH3+]CCOCCOCC(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219774952 824893912 /nfs/dbraw/zinc/89/39/12/824893912.db2.gz GCIUNEQISAGKEP-UHFFFAOYSA-N 2 0 285.388 -0.373 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1C[NH2+]C[C@H]1O ZINC001219777541 824894054 /nfs/dbraw/zinc/89/40/54/824894054.db2.gz LKOSYAZEKGZRGH-GHMZBOCLSA-N 2 0 253.346 -0.785 20 0 CBADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001219799998 824895846 /nfs/dbraw/zinc/89/58/46/824895846.db2.gz GAMVNMKRSRWPTB-UTUOFQBUSA-N 2 0 285.363 -0.181 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800936 824896135 /nfs/dbraw/zinc/89/61/35/824896135.db2.gz PDUXSADUYVEPDP-CMPLNLGQSA-N 2 0 293.371 -0.836 20 0 CBADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)C1CC[NH2+]CC1 ZINC001219801104 824896184 /nfs/dbraw/zinc/89/61/84/824896184.db2.gz SLIXARDIGLKCAA-LBPRGKRZSA-N 2 0 267.373 -0.129 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805511 824896268 /nfs/dbraw/zinc/89/62/68/824896268.db2.gz LGZCMTPCYCKIKW-WOPDTQHZSA-N 2 0 255.362 -0.492 20 0 CBADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CCCC[NH2+]1 ZINC001219813644 824897376 /nfs/dbraw/zinc/89/73/76/824897376.db2.gz YFNFSQLESULBSG-GVXVVHGQSA-N 2 0 253.346 -0.519 20 0 CBADRP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219813918 824897465 /nfs/dbraw/zinc/89/74/65/824897465.db2.gz KUFDQIYKSBFZMS-RTXFEEFZSA-N 2 0 285.388 -0.987 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219811364 824897502 /nfs/dbraw/zinc/89/75/02/824897502.db2.gz PZVJQSSZEZNGJJ-JTQLQIEISA-N 3 0 281.360 -0.607 20 0 CBADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001219814827 824897850 /nfs/dbraw/zinc/89/78/50/824897850.db2.gz NDAJYTBGRPAXNG-NOHGZBONSA-N 2 0 271.336 -0.714 20 0 CBADRP O=C(N[C@H]1C[NH2+]Cc2ccsc21)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219822825 824897888 /nfs/dbraw/zinc/89/78/88/824897888.db2.gz GJYMXUOTCITORH-YFKTTZPYSA-N 2 0 292.408 -0.042 20 0 CBADRP [NH3+][C@@H](Cc1ccsc1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813463 824897944 /nfs/dbraw/zinc/89/79/44/824897944.db2.gz VEMSUCAVBHCACE-OBJOEFQTSA-N 2 0 295.408 -0.030 20 0 CBADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)C1CC2(C[NH2+]C2)C1 ZINC001219813420 824898197 /nfs/dbraw/zinc/89/81/97/824898197.db2.gz SWRHPODMJAGCAA-FZMZJTMJSA-N 2 0 265.357 -0.662 20 0 CBADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1CC[NH2+]C[C@H]1F ZINC001219831698 824899074 /nfs/dbraw/zinc/89/90/74/824899074.db2.gz UQCGUICDOKFBPH-OOCWMUITSA-N 2 0 271.336 -0.573 20 0 CBADRP O=C(C=C1CC[NH2+]CC1)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831523 824899183 /nfs/dbraw/zinc/89/91/83/824899183.db2.gz NPAUKZXGMBWJRR-UPJWGTAASA-N 2 0 265.357 -0.211 20 0 CBADRP O=C(CC1CC[NH2+]CC1)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831742 824899559 /nfs/dbraw/zinc/89/95/59/824899559.db2.gz WUXRJROXPUQOTO-UPJWGTAASA-N 2 0 267.373 -0.131 20 0 CBADRP [NH3+]CCNCC(=O)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001219826978 824899719 /nfs/dbraw/zinc/89/97/19/824899719.db2.gz XSPHRCKSMHZNSD-SECBINFHSA-N 2 0 254.359 -0.443 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CCC[NH2+]1 ZINC001219831232 824899852 /nfs/dbraw/zinc/89/98/52/824899852.db2.gz COVABUJOWSVQTL-HNCHTBHHSA-N 2 0 253.346 -0.378 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]C1)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831531 824900559 /nfs/dbraw/zinc/90/05/59/824900559.db2.gz NTWAFTVNELLJFZ-LPWJVIDDSA-N 2 0 267.373 -0.131 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219836819 824901681 /nfs/dbraw/zinc/90/16/81/824901681.db2.gz FKUBFGVFZQTNDE-LOWVWBTDSA-N 2 0 271.361 -0.908 20 0 CBADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@H]1CC[NH2+]C[C@H]1F ZINC001219847309 824901845 /nfs/dbraw/zinc/90/18/45/824901845.db2.gz CQBBSIDVSMAUPS-KZZRWZIVSA-N 2 0 271.336 -0.430 20 0 CBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C1CC[NH2+]CC1 ZINC001219836911 824901959 /nfs/dbraw/zinc/90/19/59/824901959.db2.gz GFIKZXXIDRSXAO-DOMZBBRYSA-N 2 0 297.399 -0.503 20 0 CBADRP C[C@]1(C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)CC[NH2+]C1 ZINC001219836663 824901978 /nfs/dbraw/zinc/90/19/78/824901978.db2.gz BOWUGRONMPLRQA-VHDGCEQUSA-N 2 0 297.399 -0.503 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854737 824902660 /nfs/dbraw/zinc/90/26/60/824902660.db2.gz RZOQQIHJFVNKRU-MTVMDMGHSA-N 2 0 253.346 -0.523 20 0 CBADRP C[C@]1(C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)CC[NH2+]C1 ZINC001219849524 824902837 /nfs/dbraw/zinc/90/28/37/824902837.db2.gz CGDVMZYIZRXGNE-KQXIARHKSA-N 2 0 253.346 -0.378 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850596 824902843 /nfs/dbraw/zinc/90/28/43/824902843.db2.gz YLTRJSQYJXFSMN-XYJRDEOASA-N 2 0 293.371 -0.980 20 0 CBADRP [NH3+][C@@H](Cc1cccc(O)c1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854677 824903371 /nfs/dbraw/zinc/90/33/71/824903371.db2.gz PPIBJAAVTMOPLK-ZOBORPQBSA-N 2 0 291.351 -0.635 20 0 CBADRP CC[C@H](C)[C@@H]([NH2+]C)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856309 824903369 /nfs/dbraw/zinc/90/33/69/824903369.db2.gz HDQWCKJYLWVUAQ-RNWYCLNJSA-N 2 0 255.362 -0.277 20 0 CBADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@H]1[NH2+]Cc2ccccc21 ZINC001219856708 824903492 /nfs/dbraw/zinc/90/34/92/824903492.db2.gz XZGXYQLRAXKHPR-RQJABVFESA-N 2 0 273.336 -0.066 20 0 CBADRP [NH3+]CCNC(=O)[C@@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001219867437 824904016 /nfs/dbraw/zinc/90/40/16/824904016.db2.gz INJZJGCRFWWTRS-GFCCVEGCSA-N 2 0 266.345 -0.309 20 0 CBADRP O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219865191 824904200 /nfs/dbraw/zinc/90/42/00/824904200.db2.gz FGQKPPGPTCFMIB-MELADBBJSA-N 2 0 287.363 -0.430 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219865301 824904483 /nfs/dbraw/zinc/90/44/83/824904483.db2.gz LFDBYNSUALNESQ-SNVBAGLBSA-N 2 0 263.345 -0.791 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH3+] ZINC001219868758 824905729 /nfs/dbraw/zinc/90/57/29/824905729.db2.gz POGOXYPUQDXFDN-RYUDHWBXSA-N 2 0 286.420 -0.034 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O)[NH+](C)C ZINC001219875256 824905742 /nfs/dbraw/zinc/90/57/42/824905742.db2.gz WGGRWNGNLUKYRV-UPJWGTAASA-N 2 0 269.389 -0.102 20 0 CBADRP [NH3+]CCNC(=O)C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC001219867932 824906091 /nfs/dbraw/zinc/90/60/91/824906091.db2.gz VRBDEPBADUVTCG-CQSZACIVSA-N 2 0 276.384 -0.075 20 0 CBADRP CC(=O)N1CCC([NH+]2CCC(C(=O)NCC[NH3+])CC2)CC1 ZINC001219868129 824906172 /nfs/dbraw/zinc/90/61/72/824906172.db2.gz YZFBAZCJWKFNFJ-UHFFFAOYSA-N 2 0 296.415 -0.216 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001219870750 824906479 /nfs/dbraw/zinc/90/64/79/824906479.db2.gz SNLVWDWLJKPEPO-ZETCQYMHSA-N 2 0 284.282 -0.763 20 0 CBADRP [NH3+]CCNC(=O)C[C@@H]([NH3+])COCc1ccccc1 ZINC001219868772 824906616 /nfs/dbraw/zinc/90/66/16/824906616.db2.gz QQLSBBSTLPQZHK-GFCCVEGCSA-N 2 0 251.330 -0.005 20 0 CBADRP CC(C)OC(=O)[C@H](C)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219880687 824907061 /nfs/dbraw/zinc/90/70/61/824907061.db2.gz GXQZIVWYHLSYOU-VHSXEESVSA-N 2 0 269.345 -0.748 20 0 CBADRP CC(C)OC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001219880713 824907717 /nfs/dbraw/zinc/90/77/17/824907717.db2.gz HKGKAUGRRLKVKY-IUCAKERBSA-N 2 0 277.390 -0.538 20 0 CBADRP CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219883248 824909636 /nfs/dbraw/zinc/90/96/36/824909636.db2.gz SKXOIVRGRSIRGW-HBNTYKKESA-N 2 0 255.362 -0.681 20 0 CBADRP C[NH+](C)CCCCCNC(=O)C1(N)CC[NH2+]CC1 ZINC001219921608 824914652 /nfs/dbraw/zinc/91/46/52/824914652.db2.gz VVYRWEFGCPCJCQ-UHFFFAOYSA-N 2 0 256.394 -0.085 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@H](O)COc1ccccc1 ZINC001219917967 824914888 /nfs/dbraw/zinc/91/48/88/824914888.db2.gz ACQSEHOAXZAZRC-WCQYABFASA-N 2 0 281.356 -0.391 20 0 CBADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)NCC[NH2+]CCO ZINC001219918554 824915005 /nfs/dbraw/zinc/91/50/05/824915005.db2.gz NCDOTHLMNXFQOG-JTQLQIEISA-N 2 0 289.376 -0.996 20 0 CBADRP C[NH+](C)CCCCCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219918437 824915031 /nfs/dbraw/zinc/91/50/31/824915031.db2.gz LXIXWYDDZYWDEU-LBPRGKRZSA-N 3 0 268.405 -0.357 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@H](O)COc1ccccc1 ZINC001219917965 824915199 /nfs/dbraw/zinc/91/51/99/824915199.db2.gz ACQSEHOAXZAZRC-AAEUAGOBSA-N 2 0 281.356 -0.391 20 0 CBADRP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)NCC[NH2+]CCO ZINC001219917972 824915508 /nfs/dbraw/zinc/91/55/08/824915508.db2.gz AHUIYRWJNYPDNF-LBPRGKRZSA-N 2 0 291.355 -0.869 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])CC(=O)NCC[NH2+]CCO ZINC001219918091 824915520 /nfs/dbraw/zinc/91/55/20/824915520.db2.gz DRKIUKXSNXBPSI-SNVBAGLBSA-N 2 0 261.366 -0.783 20 0 CBADRP C[NH+](C)CCCCCNC(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219917960 824915644 /nfs/dbraw/zinc/91/56/44/824915644.db2.gz AAHKNNWMYXYATK-JSGCOSHPSA-N 2 0 268.405 -0.214 20 0 CBADRP O=C(NC[C@@H]1Cc2ccccc2O1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219924930 824916263 /nfs/dbraw/zinc/91/62/63/824916263.db2.gz CAUJXAGEKNEKRT-QWHCGFSZSA-N 2 0 287.363 -0.085 20 0 CBADRP Cc1nccn1CCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219934988 824916710 /nfs/dbraw/zinc/91/67/10/824916710.db2.gz WNCLJUXIRGXNCE-TZMCWYRMSA-N 2 0 277.372 -0.493 20 0 CBADRP Nc1ccccc1CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001219927462 824917256 /nfs/dbraw/zinc/91/72/56/824917256.db2.gz NGCCWLBWUXLJRG-NSHDSACASA-N 2 0 268.386 -0.096 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219929740 824917499 /nfs/dbraw/zinc/91/74/99/824917499.db2.gz QZNJHRVIDCDDON-CYBMUJFWSA-N 2 0 292.383 -0.126 20 0 CBADRP O=C(NCCC[NH2+]C1CCCCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC001219954262 824922728 /nfs/dbraw/zinc/92/27/28/824922728.db2.gz FCRMRCFOSGMHMZ-STQMWFEESA-N 2 0 269.389 -0.005 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001219954874 824922811 /nfs/dbraw/zinc/92/28/11/824922811.db2.gz WGSJLOQOLAXPES-DOMZBBRYSA-N 2 0 280.416 -0.072 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCCCc1c[nH][nH]c1=O ZINC001219970333 824926428 /nfs/dbraw/zinc/92/64/28/824926428.db2.gz YKMFZVIOAOFJBY-UWVGGRQHSA-N 2 0 269.349 -0.929 20 0 CBADRP [NH3+][C@@H](C(=O)NCC(=O)NC1CCCC1)C1CC[NH2+]CC1 ZINC001219976117 824927987 /nfs/dbraw/zinc/92/79/87/824927987.db2.gz AXOGFPRGZYTLND-CYBMUJFWSA-N 2 0 282.388 -0.512 20 0 CBADRP COC(=O)CNC(=O)c1ccc([C@@H](N)C[NH3+])cc1 ZINC001219975714 824928159 /nfs/dbraw/zinc/92/81/59/824928159.db2.gz VUGFEIPPDNQJGO-JTQLQIEISA-N 2 0 251.286 -0.452 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001219980889 824928882 /nfs/dbraw/zinc/92/88/82/824928882.db2.gz QKCLIFGQTYXLOD-XDQVBPFNSA-N 2 0 280.416 -0.216 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2C[NH2+]C[C@H]2O)C1 ZINC001219981110 824928963 /nfs/dbraw/zinc/92/89/63/824928963.db2.gz XITADUQXTJOCGN-GRYCIOLGSA-N 2 0 255.362 -0.585 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001219978985 824929438 /nfs/dbraw/zinc/92/94/38/824929438.db2.gz XHLAGFXOHDLHRD-QWHCGFSZSA-N 3 0 280.416 -0.357 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC001219980765 824930049 /nfs/dbraw/zinc/93/00/49/824930049.db2.gz OVOCMELPIWSJGO-SRVKXCTJSA-N 2 0 255.362 -0.443 20 0 CBADRP COC(=O)C1(NC(=O)[C@@]2(C)CC[NH2+]C2)CC[NH2+]CC1 ZINC001220001845 824930967 /nfs/dbraw/zinc/93/09/67/824930967.db2.gz YLWGIGNSCLDTOP-LBPRGKRZSA-N 2 0 269.345 -0.603 20 0 CBADRP COC(=O)C1(NC(=O)[C@H]2CCC[NH2+][C@H]2C)CC[NH2+]CC1 ZINC001219999510 824930973 /nfs/dbraw/zinc/93/09/73/824930973.db2.gz VWEDPFDGQDNQGM-QWRGUYRKSA-N 2 0 283.372 -0.214 20 0 CBADRP O=C(NCc1cnc2[nH]ccc2c1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220012911 824934429 /nfs/dbraw/zinc/93/44/29/824934429.db2.gz DULSNTRXCDVQIN-LBPRGKRZSA-N 2 0 285.351 -0.012 20 0 CBADRP O=C(NC1CC(=O)C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220018574 824934948 /nfs/dbraw/zinc/93/49/48/824934948.db2.gz JGYQMGFTJUTKSC-LLVKDONJSA-N 2 0 251.330 -0.292 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC1(CO)CCOCC1 ZINC001220018764 824935089 /nfs/dbraw/zinc/93/50/89/824935089.db2.gz SAFUAUWSBSYHGK-JTQLQIEISA-N 2 0 259.350 -0.900 20 0 CBADRP N=c1cc(C[NH3+])ncn1C(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001220020507 824935900 /nfs/dbraw/zinc/93/59/00/824935900.db2.gz LIYFQBAWZJZSMF-VCJLRHCSSA-N 2 0 279.344 -0.660 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001220020513 824936117 /nfs/dbraw/zinc/93/61/17/824936117.db2.gz LKSGHBGDZHZQHT-CYBMUJFWSA-N 2 0 293.367 -0.547 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)n1cnc(C[NH3+])cc1=N ZINC001220020643 824936357 /nfs/dbraw/zinc/93/63/57/824936357.db2.gz QBTJYFQFUPPDDG-NSHDSACASA-N 2 0 294.359 -0.905 20 0 CBADRP CC(C)(CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(N)=O ZINC001220034434 824939104 /nfs/dbraw/zinc/93/91/04/824939104.db2.gz YJKVJHIZXOEMHQ-JTQLQIEISA-N 2 0 282.388 -0.512 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1ccc[nH]1 ZINC001220032982 824939808 /nfs/dbraw/zinc/93/98/08/824939808.db2.gz GPUQMUDJSJQLCM-GFCCVEGCSA-N 2 0 265.361 -0.619 20 0 CBADRP O=C(NCc1ccncc1F)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220035924 824941258 /nfs/dbraw/zinc/94/12/58/824941258.db2.gz HVNZLPBOGOHZSC-SNVBAGLBSA-N 2 0 264.304 -0.354 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)C1CC2(C[NH2+]C2)C1 ZINC001220043104 824941659 /nfs/dbraw/zinc/94/16/59/824941659.db2.gz FNIIDUPGDJTGKQ-UHFFFAOYSA-N 2 0 261.329 -0.231 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220043234 824941725 /nfs/dbraw/zinc/94/17/25/824941725.db2.gz KGBVBHPOACMPNN-JTQLQIEISA-N 3 0 266.349 -0.774 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001220043060 824942206 /nfs/dbraw/zinc/94/22/06/824942206.db2.gz CXICPQJBBBUWIU-VHSXEESVSA-N 2 0 267.308 -0.283 20 0 CBADRP N=c1cc(C[NH3+])ccn1C(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001220045284 824943416 /nfs/dbraw/zinc/94/34/16/824943416.db2.gz TUHAQSCTKOCZBI-XIVSLSHWSA-N 2 0 278.356 -0.055 20 0 CBADRP C[NH2+]CCNC(=O)C[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220053184 824945350 /nfs/dbraw/zinc/94/53/50/824945350.db2.gz XWKVFBUZYSFWQP-YPMHNXCESA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH2+]CCNC(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+]C ZINC001220053102 824945327 /nfs/dbraw/zinc/94/53/27/824945327.db2.gz SSUNHKNFQVFEQR-VIFPVBQESA-N 2 0 259.350 -0.358 20 0 CBADRP C[NH2+]CCNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001220052814 824945931 /nfs/dbraw/zinc/94/59/31/824945931.db2.gz DNXHYRHFWPNTHH-UWVGGRQHSA-N 2 0 258.366 -0.800 20 0 CBADRP CCCCOC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220049972 824945950 /nfs/dbraw/zinc/94/59/50/824945950.db2.gz WHBAUQDUEJKINH-UWVGGRQHSA-N 2 0 259.350 -0.099 20 0 CBADRP C[NH2+]CCNC(=O)C[C@H]([NH3+])c1ccc(OC)nc1 ZINC001220051298 824945968 /nfs/dbraw/zinc/94/59/68/824945968.db2.gz UAGYGFLFMOCKIW-JTQLQIEISA-N 2 0 252.318 -0.184 20 0 CBADRP COCC1(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCC1 ZINC001220064292 824949109 /nfs/dbraw/zinc/94/91/09/824949109.db2.gz YZZHRMSFGCJRSC-SNVBAGLBSA-N 2 0 253.346 -0.519 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCc1cc[nH]n1 ZINC001220062358 824949378 /nfs/dbraw/zinc/94/93/78/824949378.db2.gz VYUUGEIZDROGSI-VIFPVBQESA-N 2 0 257.363 -0.912 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1cc(=O)[nH]c(=O)n1C1CC1 ZINC001220064135 824949405 /nfs/dbraw/zinc/94/94/05/824949405.db2.gz SDOMQMAOKVZUSY-QMMMGPOBSA-N 2 0 281.316 -0.712 20 0 CBADRP C[NH2+]CCCCNC(=O)[C@H](CC(C)C)NC(=O)C[NH3+] ZINC001220077522 824949903 /nfs/dbraw/zinc/94/99/03/824949903.db2.gz MXRSQWQEOUGBGD-NSHDSACASA-N 2 0 272.393 -0.408 20 0 CBADRP Cc1nc(N)ccc1CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220071536 824950674 /nfs/dbraw/zinc/95/06/74/824950674.db2.gz HXGWDYFURYSQSG-IUODEOHRSA-N 2 0 289.383 -0.212 20 0 CBADRP CCOC(=O)C(F)(F)CNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220096664 824952569 /nfs/dbraw/zinc/95/25/69/824952569.db2.gz GZCZIKYWMJCHFG-ZETCQYMHSA-N 2 0 267.276 -0.633 20 0 CBADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220101642 824954324 /nfs/dbraw/zinc/95/43/24/824954324.db2.gz WHRXTSFPRFGOCA-ZJUUUORDSA-N 3 0 255.366 -0.165 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220101491 824954388 /nfs/dbraw/zinc/95/43/88/824954388.db2.gz QFNTYMLQTDPPGZ-JTQLQIEISA-N 4 0 272.397 -0.836 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001220101235 824954578 /nfs/dbraw/zinc/95/45/78/824954578.db2.gz FBMYNGXWIOTNTP-NXEZZACHSA-N 3 0 255.366 -0.165 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C[C@H]1CCC[NH2+]C1 ZINC001220103582 824955045 /nfs/dbraw/zinc/95/50/45/824955045.db2.gz XOZGTPVZCSLRKQ-SNVBAGLBSA-N 3 0 255.366 -0.163 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H](N)C1CCC(O)CC1 ZINC001220103114 824955452 /nfs/dbraw/zinc/95/54/52/824955452.db2.gz GUSTWXNWFWHOIR-ILDUYXDCSA-N 2 0 285.392 -0.674 20 0 CBADRP NC(=[NH2+])N(C(=O)[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1F ZINC001220106403 824956547 /nfs/dbraw/zinc/95/65/47/824956547.db2.gz LZTGNEWDXRKWRD-XVKPBYJWSA-N 2 0 266.276 -0.368 20 0 CBADRP N=C(NC(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)SCC[NH3+] ZINC001220106232 824956723 /nfs/dbraw/zinc/95/67/23/824956723.db2.gz GERHELFPOSSEDM-XHNCKOQMSA-N 2 0 272.374 -0.504 20 0 CBADRP N=C(NC(=O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)SCC[NH3+] ZINC001220106692 824956967 /nfs/dbraw/zinc/95/69/67/824956967.db2.gz YCVZDLHEQZSAIB-GHMZBOCLSA-N 2 0 299.444 -0.197 20 0 CBADRP CCC(CO)(CO)NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001220111301 824958523 /nfs/dbraw/zinc/95/85/23/824958523.db2.gz PISXCKMVGUZDBN-LBPRGKRZSA-N 2 0 289.420 -0.268 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@@H](CO)Cc1ccc(O)cc1 ZINC001220115201 824958874 /nfs/dbraw/zinc/95/88/74/824958874.db2.gz JHZOMVNDDMKWOO-DGCLKSJQSA-N 2 0 281.356 -0.522 20 0 CBADRP Cc1cnc(=O)[nH]c1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220125065 824962012 /nfs/dbraw/zinc/96/20/12/824962012.db2.gz WVCZGODOKLJJPK-VIFPVBQESA-N 2 0 265.317 -0.244 20 0 CBADRP O=C(NCc1cccc(F)n1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220124953 824962397 /nfs/dbraw/zinc/96/23/97/824962397.db2.gz RLJWBRJRPOMXJU-SNVBAGLBSA-N 2 0 264.304 -0.354 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCOC(F)(F)F ZINC001220138717 824965008 /nfs/dbraw/zinc/96/50/08/824965008.db2.gz DQUMVVLEKRQNIH-SECBINFHSA-N 2 0 298.309 -0.611 20 0 CBADRP CO[C@@H]1COCC[C@H]1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220140788 824965141 /nfs/dbraw/zinc/96/51/41/824965141.db2.gz AXKQTIZENZTIFX-JHJVBQTASA-N 2 0 297.399 -0.219 20 0 CBADRP CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001220141740 824966364 /nfs/dbraw/zinc/96/63/64/824966364.db2.gz UEMBMGJEPYNZQO-DCAQKATOSA-N 2 0 289.401 -0.995 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001220150351 824969481 /nfs/dbraw/zinc/96/94/81/824969481.db2.gz ZYEGXZKKGSYYJC-TUAOUCFPSA-N 3 0 266.389 -0.286 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCc1cc[nH]c(=O)c1 ZINC001220148188 824969513 /nfs/dbraw/zinc/96/95/13/824969513.db2.gz PISHWUCAIVNZQX-JTQLQIEISA-N 2 0 252.318 -0.140 20 0 CBADRP N=C(NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)c1nccs1 ZINC001220154533 824971074 /nfs/dbraw/zinc/97/10/74/824971074.db2.gz UJMAGPBBZFFNKU-MRVPVSSYSA-N 2 0 267.358 -0.088 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1 ZINC001220156920 824973262 /nfs/dbraw/zinc/97/32/62/824973262.db2.gz PWEWKQDPXOCRDO-WGBDABJCSA-N 2 0 252.362 -0.581 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220161706 824974235 /nfs/dbraw/zinc/97/42/35/824974235.db2.gz FFJSLRHENJUSDE-OCCSQVGLSA-N 3 0 268.405 -0.037 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)N[C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001220161579 824974330 /nfs/dbraw/zinc/97/43/30/824974330.db2.gz DHKMWSDXOKYIHI-MNXVOIDGSA-N 2 0 266.389 -0.286 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001220160393 824974435 /nfs/dbraw/zinc/97/44/35/824974435.db2.gz YRFQZTGMMSQFBO-RYUDHWBXSA-N 3 0 254.378 -0.476 20 0 CBADRP N[C@]1(C(=O)N[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC001220162550 824974527 /nfs/dbraw/zinc/97/45/27/824974527.db2.gz KCTLXQHGLFDEGK-KWCYVHTRSA-N 2 0 266.389 -0.284 20 0 CBADRP O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220163382 824974560 /nfs/dbraw/zinc/97/45/60/824974560.db2.gz QFLBUBFJIFHSCU-OJKRMQCYSA-N 2 0 292.427 -0.025 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC1CN(C(C)C)C1 ZINC001220160401 824974706 /nfs/dbraw/zinc/97/47/06/824974706.db2.gz YSLYEKYTJDSDPK-LBPRGKRZSA-N 2 0 256.394 -0.088 20 0 CBADRP O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220163874 824975981 /nfs/dbraw/zinc/97/59/81/824975981.db2.gz WFEABPSNKKYZGA-HKUMRIAESA-N 2 0 267.373 -0.252 20 0 CBADRP O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220163876 824976499 /nfs/dbraw/zinc/97/64/99/824976499.db2.gz WFEABPSNKKYZGA-OWTLIXCDSA-N 2 0 267.373 -0.252 20 0 CBADRP Cc1ncc(CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)cn1 ZINC001220177949 824978918 /nfs/dbraw/zinc/97/89/18/824978918.db2.gz WPBAJSQCWMEQST-LBPRGKRZSA-N 2 0 263.345 -0.272 20 0 CBADRP Cc1ncc(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cn1 ZINC001220177929 824979968 /nfs/dbraw/zinc/97/99/68/824979968.db2.gz WDFQNKKEQFSMBE-ZDUSSCGKSA-N 2 0 292.387 -0.848 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@H]1COCC[C@@H]1O ZINC001220181431 824980431 /nfs/dbraw/zinc/98/04/31/824980431.db2.gz OOQHANMMAYWTRU-SRVKXCTJSA-N 2 0 273.377 -0.688 20 0 CBADRP C[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1cncnc1 ZINC001220183559 824981017 /nfs/dbraw/zinc/98/10/17/824981017.db2.gz SFTSWEHOGHAOOP-WPRPVWTQSA-N 2 0 269.374 -0.327 20 0 CBADRP C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1cncnc1 ZINC001220183728 824981758 /nfs/dbraw/zinc/98/17/58/824981758.db2.gz XUOCNKLWLBTQKW-ZKYQVNSYSA-N 2 0 275.356 -0.147 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCNCC1(F)F ZINC001220186790 824983561 /nfs/dbraw/zinc/98/35/61/824983561.db2.gz VFLXVLLZSZKNDJ-ZJUUUORDSA-N 2 0 278.347 -0.196 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)C[C@H](O)C[NH3+])CC1 ZINC001220200201 824984619 /nfs/dbraw/zinc/98/46/19/824984619.db2.gz CWDHSAKYTZUQOR-LBPRGKRZSA-N 2 0 273.377 -0.687 20 0 CBADRP [NH3+][C@H](C(=O)NCC1(N2CCCC2)COC1)C1CC[NH2+]CC1 ZINC001220197889 824984738 /nfs/dbraw/zinc/98/47/38/824984738.db2.gz VHXXDCKAHPGXQE-ZDUSSCGKSA-N 2 0 296.415 -0.706 20 0 CBADRP [NH3+][C@@H](C(=O)NCC1(N2CCCC2)COC1)C1CC[NH2+]CC1 ZINC001220197888 824985325 /nfs/dbraw/zinc/98/53/25/824985325.db2.gz VHXXDCKAHPGXQE-CYBMUJFWSA-N 2 0 296.415 -0.706 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)CC1 ZINC001220200542 824985635 /nfs/dbraw/zinc/98/56/35/824985635.db2.gz NFTIXZJZYQUYEV-YPMHNXCESA-N 2 0 284.404 -0.707 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CCN2)CC1 ZINC001220200444 824985935 /nfs/dbraw/zinc/98/59/35/824985935.db2.gz KTOCVTCZCQQHPD-ZDUSSCGKSA-N 2 0 284.404 -0.835 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@@]2(N)CC[NH2+]C2)CC1 ZINC001220200448 824986227 /nfs/dbraw/zinc/98/62/27/824986227.db2.gz KUTIKXUYTGOVAS-CQSZACIVSA-N 2 0 284.404 -0.706 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220221221 824989702 /nfs/dbraw/zinc/98/97/02/824989702.db2.gz VNPHBQGYWHIXCE-AVGNSLFASA-N 3 0 280.416 -0.216 20 0 CBADRP CCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229122 824990289 /nfs/dbraw/zinc/99/02/89/824990289.db2.gz NUTPVCWZCORIFE-NEPJUHHUSA-N 2 0 269.389 -0.101 20 0 CBADRP CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220233861 824991758 /nfs/dbraw/zinc/99/17/58/824991758.db2.gz JRNNHTWZSRUZQR-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)NCC[C@H]1CCC[N@@H+]1C ZINC001220251672 824994619 /nfs/dbraw/zinc/99/46/19/824994619.db2.gz BDCNEFHPLCOLBV-YPMHNXCESA-N 2 0 279.388 -0.110 20 0 CBADRP CN1C[C@H](CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1=O ZINC001220245851 824994788 /nfs/dbraw/zinc/99/47/88/824994788.db2.gz WKWYVHKWKLYPJI-NWDGAFQWSA-N 2 0 294.399 -0.545 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC001220261028 824997812 /nfs/dbraw/zinc/99/78/12/824997812.db2.gz ORVIFKBRMZOVIP-QWRGUYRKSA-N 2 0 265.361 -0.161 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC001220268447 824999248 /nfs/dbraw/zinc/99/92/48/824999248.db2.gz JFVIFPPSCDLXGU-LLVKDONJSA-N 2 0 289.343 -0.451 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N(CC[NH3+])c1cccnc1 ZINC001220263697 824999462 /nfs/dbraw/zinc/99/94/62/824999462.db2.gz UGLIWXAPZOJJNY-WLRWDXFRSA-N 2 0 284.385 -0.531 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N(CC[NH3+])c1cccnc1 ZINC001220263398 824999516 /nfs/dbraw/zinc/99/95/16/824999516.db2.gz ITTUZCBORZLPDO-LBPRGKRZSA-N 3 0 265.361 -0.170 20 0 CBADRP [NH3+]CCN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])c1cccnc1 ZINC001220263478 824999891 /nfs/dbraw/zinc/99/98/91/824999891.db2.gz MAEIUNDJJNZLFG-LBPRGKRZSA-N 2 0 291.355 -0.677 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCCn1nnc2ccccc21 ZINC001220272480 825000785 /nfs/dbraw/zinc/00/07/85/825000785.db2.gz APHNQCFSSVOSSB-JTQLQIEISA-N 2 0 276.344 -0.386 20 0 CBADRP CCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273836 825002083 /nfs/dbraw/zinc/00/20/83/825002083.db2.gz VKSWVZZOPXJYFV-NEPJUHHUSA-N 2 0 273.377 -0.864 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O ZINC001220277103 825003019 /nfs/dbraw/zinc/00/30/19/825003019.db2.gz QLOLOAJPRWEAPX-OLZOCXBDSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[C@H](C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)OC ZINC001220276496 825003930 /nfs/dbraw/zinc/00/39/30/825003930.db2.gz COYHRSFTUSQZRA-UPJWGTAASA-N 2 0 287.404 -0.476 20 0 CBADRP C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276695 825004324 /nfs/dbraw/zinc/00/43/24/825004324.db2.gz IPBDKUWXVBNPTI-TUAOUCFPSA-N 2 0 275.368 -0.153 20 0 CBADRP C[N@@H+]1CCCN(CCNC(=O)C2CC3(C[NH2+]C3)C2)CC1 ZINC001220303770 825009930 /nfs/dbraw/zinc/00/99/30/825009930.db2.gz CCROADAJOBJNJA-UHFFFAOYSA-N 2 0 280.416 -0.260 20 0 CBADRP O=C(NCc1cccc2n[nH]cc21)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220308494 825011434 /nfs/dbraw/zinc/01/14/34/825011434.db2.gz LJQNQMCCIQHIBR-GFCCVEGCSA-N 2 0 285.351 -0.012 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315453 825014073 /nfs/dbraw/zinc/01/40/73/825014073.db2.gz CQLIGLYQUYVUMC-OBJOEFQTSA-N 3 0 284.404 -0.530 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220320880 825015377 /nfs/dbraw/zinc/01/53/77/825015377.db2.gz QNOJGLFQYWKKDA-MBNYWOFBSA-N 2 0 283.372 -0.608 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220320609 825015885 /nfs/dbraw/zinc/01/58/85/825015885.db2.gz OJOBSTHUMHSBSU-SMDDNHRTSA-N 2 0 297.403 -0.333 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C[C@H](O)C[NH3+] ZINC001220333611 825016256 /nfs/dbraw/zinc/01/62/56/825016256.db2.gz WPQBALNVVCJNIP-NEPJUHHUSA-N 2 0 257.378 -0.067 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[NH2+]CCN1 ZINC001220334689 825016562 /nfs/dbraw/zinc/01/65/62/825016562.db2.gz ACRPSZWUFDPXGI-STQMWFEESA-N 2 0 268.405 -0.216 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001220334972 825016626 /nfs/dbraw/zinc/01/66/26/825016626.db2.gz FRVWEMCCBBHFHW-AGIUHOORSA-N 2 0 268.405 -0.230 20 0 CBADRP CCOC(=O)C1(NC(=O)CC[NH2+]C)CC[NH+](C)CC1 ZINC001220345699 825019463 /nfs/dbraw/zinc/01/94/63/825019463.db2.gz MFHNEOKNMPOUGF-UHFFFAOYSA-N 2 0 271.361 -0.260 20 0 CBADRP COc1ccc(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])nn1 ZINC001220343231 825020203 /nfs/dbraw/zinc/02/02/03/825020203.db2.gz GJCBJQKQMRIMAL-VIFPVBQESA-N 2 0 285.373 -0.879 20 0 CBADRP C[C@@H](NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)c1cnccn1 ZINC001220369083 825020997 /nfs/dbraw/zinc/02/09/97/825020997.db2.gz SMEUISVCSDFPSK-BXKDBHETSA-N 2 0 263.345 -0.019 20 0 CBADRP O=C(NCc1ccc(Cl)nn1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220368608 825021895 /nfs/dbraw/zinc/02/18/95/825021895.db2.gz IYOAABGXJRXHIF-NOZJJQNGSA-N 2 0 295.774 -0.055 20 0 CBADRP CCOC(=O)C1(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCC1 ZINC001220370764 825021947 /nfs/dbraw/zinc/02/19/47/825021947.db2.gz CCVZUSFSEYCAEF-NSHDSACASA-N 2 0 295.383 -0.355 20 0 CBADRP [NH3+]Cc1ccc2c(n1)N(C(=O)[C@@H]1C[NH2+]C[C@H]1O)CCC2 ZINC001220377176 825023536 /nfs/dbraw/zinc/02/35/36/825023536.db2.gz MHZOEONOEAYLQK-VXGBXAGGSA-N 2 0 276.340 -0.600 20 0 CBADRP [NH3+]Cc1ccc2c(n1)N(C(=O)CN1CC[NH2+]CC1)CCC2 ZINC001220376895 825023973 /nfs/dbraw/zinc/02/39/73/825023973.db2.gz CGUXOEGSOQHASP-UHFFFAOYSA-N 2 0 289.383 -0.275 20 0 CBADRP N[C@]1(C(=O)N2CCCc3ccc(C[NH3+])nc32)CCC[NH2+]C1 ZINC001220377454 825024755 /nfs/dbraw/zinc/02/47/55/825024755.db2.gz YNXAJYYJHLPHRK-OAHLLOKOSA-N 2 0 289.383 -0.100 20 0 CBADRP NC1(C(=O)N2CCCc3ccc(C[NH3+])nc32)CC[NH2+]CC1 ZINC001220377471 825025357 /nfs/dbraw/zinc/02/53/57/825025357.db2.gz ZCQYNZRUAKBUSZ-UHFFFAOYSA-N 2 0 289.383 -0.100 20 0 CBADRP C[NH+](C)CCC(C)(C)NC(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001220385940 825026832 /nfs/dbraw/zinc/02/68/32/825026832.db2.gz DTFGQUWGBOQIDJ-XTZNXHDOSA-N 2 0 277.434 -0.071 20 0 CBADRP C[NH+](C)CCC(C)(C)NC(=O)CN1CC[NH2+]CC1 ZINC001220386453 825027531 /nfs/dbraw/zinc/02/75/31/825027531.db2.gz UOMUQCBGSFLNGQ-UHFFFAOYSA-N 2 0 256.394 -0.262 20 0 CBADRP O=C(NCC12CC[NH+](CC1)CC2)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220394643 825028022 /nfs/dbraw/zinc/02/80/22/825028022.db2.gz KPXRQJSABLCQRG-GFCCVEGCSA-N 3 0 278.400 -0.603 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394260 825029131 /nfs/dbraw/zinc/02/91/31/825029131.db2.gz BMRDTLVNCSKHCM-GFCCVEGCSA-N 2 0 277.372 -0.118 20 0 CBADRP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220429660 825036564 /nfs/dbraw/zinc/03/65/64/825036564.db2.gz WOAUEEHXQVVCBX-OUAUKWLOSA-N 2 0 273.377 -0.378 20 0 CBADRP N[C@@H](C[NH3+])C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001220429375 825037145 /nfs/dbraw/zinc/03/71/45/825037145.db2.gz QLELOFDETZGQRL-RFQIPJPRSA-N 2 0 274.368 -0.481 20 0 CBADRP [NH3+][C@@H](Cc1ccsc1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220429817 825037332 /nfs/dbraw/zinc/03/73/32/825037332.db2.gz ZUIPQIAMYLOJBW-MNOVXSKESA-N 2 0 269.370 -0.278 20 0 CBADRP [NH3+][C@@H](Cc1ccsc1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220429818 825037577 /nfs/dbraw/zinc/03/75/77/825037577.db2.gz ZUIPQIAMYLOJBW-QWRGUYRKSA-N 2 0 269.370 -0.278 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC1CCN(CCF)CC1 ZINC001220436564 825039778 /nfs/dbraw/zinc/03/97/78/825039778.db2.gz XETUDPUVFZPUNV-QWRGUYRKSA-N 2 0 258.341 -0.917 20 0 CBADRP O=C(N[C@H](CO)C(F)(F)F)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220447707 825041020 /nfs/dbraw/zinc/04/10/20/825041020.db2.gz OCISRYAZKUHCIC-RKDXNWHRSA-N 2 0 295.305 -0.100 20 0 CBADRP CC(C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])C(C)C ZINC001220462834 825044068 /nfs/dbraw/zinc/04/40/68/825044068.db2.gz QGUAQJVQKIBFOF-QWRGUYRKSA-N 2 0 272.393 -0.282 20 0 CBADRP CC(C)NC(=O)[C@@H](NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C(C)C ZINC001220462737 825044286 /nfs/dbraw/zinc/04/42/86/825044286.db2.gz MAXUKLWISRSRCD-OLZOCXBDSA-N 2 0 298.431 -0.021 20 0 CBADRP [NH3+][C@@H](C(=O)Nc1[nH]c(=O)nc2nc[nH]c21)C1CC[NH2+]CC1 ZINC001220471138 825046737 /nfs/dbraw/zinc/04/67/37/825046737.db2.gz DSWFCLBBMJKHJG-SSDOTTSWSA-N 2 0 291.315 -0.676 20 0 CBADRP Cc1[nH][nH]c(=O)c1CCNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220492020 825047448 /nfs/dbraw/zinc/04/74/48/825047448.db2.gz GGIJCUHJLIGPDJ-JTQLQIEISA-N 2 0 283.376 -0.071 20 0 CBADRP COC(C)(CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)OC ZINC001220508878 825051316 /nfs/dbraw/zinc/05/13/16/825051316.db2.gz BLKPXKLNCWTNDV-JTQLQIEISA-N 2 0 259.350 -0.562 20 0 CBADRP COC(C)(CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)OC ZINC001220509012 825051333 /nfs/dbraw/zinc/05/13/33/825051333.db2.gz HBOSCGFVJSTYTG-LLVKDONJSA-N 2 0 285.388 -0.014 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCC(C)(OC)OC ZINC001220509381 825051862 /nfs/dbraw/zinc/05/18/62/825051862.db2.gz WRQZDVRSWGTECV-JTQLQIEISA-N 2 0 261.366 -0.171 20 0 CBADRP COC(C)(CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)OC ZINC001220509227 825051940 /nfs/dbraw/zinc/05/19/40/825051940.db2.gz PNAXSOHKSKEICS-ZWNOBZJWSA-N 2 0 271.361 -0.689 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220502037 825052720 /nfs/dbraw/zinc/05/27/20/825052720.db2.gz XVNKVDHNORQSCQ-NWDGAFQWSA-N 3 0 250.346 -0.131 20 0 CBADRP [NH3+][C@H](CNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1)c1ccccc1 ZINC001220501596 825052728 /nfs/dbraw/zinc/05/27/28/825052728.db2.gz RDDFNBNLNOLIHU-OLZOCXBDSA-N 2 0 290.367 -0.867 20 0 CBADRP COC(C)(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])OC ZINC001220508995 825052782 /nfs/dbraw/zinc/05/27/82/825052782.db2.gz GMWXXRJETWTKGY-QMMMGPOBSA-N 2 0 265.379 -0.869 20 0 CBADRP CN(CC[NH3+])CCNC(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001220516566 825053567 /nfs/dbraw/zinc/05/35/67/825053567.db2.gz YJKZFXJXZSZYDZ-LBPRGKRZSA-N 2 0 256.394 -0.099 20 0 CBADRP [NH3+]CCOCCOCCNC(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001220519303 825054730 /nfs/dbraw/zinc/05/47/30/825054730.db2.gz JLTQGXZAPNJUBM-WDEREUQCSA-N 2 0 277.340 -0.958 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCCN(C)CC[NH3+] ZINC001220517398 825054911 /nfs/dbraw/zinc/05/49/11/825054911.db2.gz KADBCJVGYFBIBU-ZDUSSCGKSA-N 3 0 287.452 -0.511 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CC[NH2+]2)CC[NH2+]C1 ZINC001220521281 825056699 /nfs/dbraw/zinc/05/66/99/825056699.db2.gz BDNKBHHLWGFGBY-JTQLQIEISA-N 2 0 253.302 -0.725 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@]2(C)CC[NH2+]C2)CC[NH2+]C1 ZINC001220523136 825056725 /nfs/dbraw/zinc/05/67/25/825056725.db2.gz JPBIBDUIKLEPHZ-AWEZNQCLSA-N 2 0 281.356 -0.087 20 0 CBADRP O=C(NCc1nccc(Cl)n1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220529843 825059711 /nfs/dbraw/zinc/05/97/11/825059711.db2.gz JIUWTCLLXFHAIA-QMMMGPOBSA-N 2 0 281.747 -0.445 20 0 CBADRP C[C@@H]1COCC[C@H]1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220565226 825063316 /nfs/dbraw/zinc/06/33/16/825063316.db2.gz KWPBGFVSEPNVCS-RAIGVLPGSA-N 2 0 284.404 -0.722 20 0 CBADRP C[C@@H]1COCC[C@@H]1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220566119 825064348 /nfs/dbraw/zinc/06/43/48/825064348.db2.gz ZSTBJXRFJWYEMB-USWWRNFRSA-N 2 0 255.362 -0.146 20 0 CBADRP CCC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220574674 825068100 /nfs/dbraw/zinc/06/81/00/825068100.db2.gz HWSYPYVMJUWIAV-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])C(F)(F)F ZINC001220588562 825071896 /nfs/dbraw/zinc/07/18/96/825071896.db2.gz VAESVSBLYDAFDN-NTSWFWBYSA-N 2 0 271.239 -0.727 20 0 CBADRP CN1CCC[C@H](NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1=O ZINC001220591032 825074408 /nfs/dbraw/zinc/07/44/08/825074408.db2.gz UTVSZHAIOWGHOZ-WDEREUQCSA-N 2 0 268.361 -0.950 20 0 CBADRP O=C(N[C@@H]1CNc2ccccc2C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220599260 825076402 /nfs/dbraw/zinc/07/64/02/825076402.db2.gz QXOUDVXMKFGLGH-STQMWFEESA-N 2 0 286.379 -0.052 20 0 CBADRP CC(=O)N1CC(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001220598955 825076457 /nfs/dbraw/zinc/07/64/57/825076457.db2.gz IFVWOGBMVBGVES-JTQLQIEISA-N 2 0 256.350 -0.820 20 0 CBADRP Cn1nc(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c2ccccc21 ZINC001220632226 825078022 /nfs/dbraw/zinc/07/80/22/825078022.db2.gz OQPZJWWTHAIGDZ-GFCCVEGCSA-N 2 0 299.378 -0.002 20 0 CBADRP CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220660210 825079224 /nfs/dbraw/zinc/07/92/24/825079224.db2.gz CIKFDKIZAWEGGH-UTUOFQBUSA-N 2 0 295.383 -0.357 20 0 CBADRP CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220661112 825082770 /nfs/dbraw/zinc/08/27/70/825082770.db2.gz SORBDESMGIUSOF-MXWKQRLJSA-N 2 0 271.361 -0.099 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCOC)C[C@@H]1O ZINC001220681733 825084209 /nfs/dbraw/zinc/08/42/09/825084209.db2.gz NDXFQVOBDWWFDX-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220678705 825085373 /nfs/dbraw/zinc/08/53/73/825085373.db2.gz JDNKUXKPMSLCFA-USRAEIGSSA-N 3 0 292.427 -0.025 20 0 CBADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1C[NH2+]CCN1 ZINC001220681091 825085537 /nfs/dbraw/zinc/08/55/37/825085537.db2.gz VKSVZPYMYKAFQG-QCNOEVLYSA-N 2 0 252.362 -0.663 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220688617 825085869 /nfs/dbraw/zinc/08/58/69/825085869.db2.gz MTPHTQVAMFLGMG-MCIONIFRSA-N 2 0 299.415 -0.474 20 0 CBADRP CC(=O)CC(C)(C)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220687465 825086834 /nfs/dbraw/zinc/08/68/34/825086834.db2.gz NMAUCJWWPCISFS-VIFPVBQESA-N 2 0 261.391 -0.121 20 0 CBADRP CC(=O)CC(C)(C)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220687110 825088099 /nfs/dbraw/zinc/08/80/99/825088099.db2.gz FTQBWPBNMWFMFU-LBPRGKRZSA-N 2 0 284.404 -0.389 20 0 CBADRP Nc1ncc(CCNC(=O)[C@@H]([NH3+])CCCC[NH3+])s1 ZINC001220704853 825089108 /nfs/dbraw/zinc/08/91/08/825089108.db2.gz VCJHGKNPAOFGBK-VIFPVBQESA-N 2 0 271.390 -0.160 20 0 CBADRP CC(C)(C)NC(=O)CCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220708843 825089353 /nfs/dbraw/zinc/08/93/53/825089353.db2.gz JEEAMGZROYCRKZ-IAQYHMDHSA-N 2 0 296.415 -0.394 20 0 CBADRP Nc1ncc(CCNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)s1 ZINC001220704382 825089933 /nfs/dbraw/zinc/08/99/33/825089933.db2.gz OYTZOYZEQFNQPJ-NOZJJQNGSA-N 2 0 295.412 -0.417 20 0 CBADRP [NH3+]Cc1ncccc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220710980 825091792 /nfs/dbraw/zinc/09/17/92/825091792.db2.gz HOUTUPXXKNDDQP-GFCCVEGCSA-N 3 0 263.345 -0.194 20 0 CBADRP CC(C)(C)NC(=O)CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220709491 825091997 /nfs/dbraw/zinc/09/19/97/825091997.db2.gz ZFYZJZPCBSYKEV-SNVBAGLBSA-N 2 0 282.388 -0.784 20 0 CBADRP C[C@@H]1COCCN1CCNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220725525 825093566 /nfs/dbraw/zinc/09/35/66/825093566.db2.gz TWNDKRRVOBPBHD-OLZOCXBDSA-N 2 0 286.420 -0.330 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCN1CCOC[C@H]1C ZINC001220725190 825094393 /nfs/dbraw/zinc/09/43/93/825094393.db2.gz NWDNUURSDHXHBI-OLZOCXBDSA-N 2 0 286.420 -0.460 20 0 CBADRP COCCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755470 825095049 /nfs/dbraw/zinc/09/50/49/825095049.db2.gz PLLRWOZFMDGIRP-MJBXVCDLSA-N 2 0 299.415 -0.474 20 0 CBADRP CCOCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755822 825095287 /nfs/dbraw/zinc/09/52/87/825095287.db2.gz XJADOBWUHPGUSF-MJBXVCDLSA-N 2 0 299.415 -0.474 20 0 CBADRP [NH3+]CCNCC(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001220743734 825095792 /nfs/dbraw/zinc/09/57/92/825095792.db2.gz NUPUYONBKIWHAI-UHFFFAOYSA-N 2 0 277.372 -0.285 20 0 CBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001220764161 825098856 /nfs/dbraw/zinc/09/88/56/825098856.db2.gz BDVSIUAZPWBTOV-KGLIPLIRSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H]1C[C@H](O)C1(C)C ZINC001220766244 825099547 /nfs/dbraw/zinc/09/95/47/825099547.db2.gz OMZJETCOJOQQSL-DCAQKATOSA-N 2 0 257.378 -0.021 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@@H]3C[NH2+]CCN3)(C1)CCC2 ZINC001220778635 825100882 /nfs/dbraw/zinc/10/08/82/825100882.db2.gz ANSQBEBTECCCPB-WCFLWFBJSA-N 2 0 252.362 -0.532 20 0 CBADRP N[C@]1(C(=O)NC[C@H]2CC[NH2+][C@@H]2c2cccnc2)CC[NH2+]C1 ZINC001220789730 825102112 /nfs/dbraw/zinc/10/21/12/825102112.db2.gz MSLIHQWFGVAOOL-UMVBOHGHSA-N 2 0 289.383 -0.461 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220787969 825102743 /nfs/dbraw/zinc/10/27/43/825102743.db2.gz AAYNOKZFEOVFFE-DGAVXFQQSA-N 2 0 290.367 -0.429 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@H]1C[NH2+]C[C@H]1O ZINC001220789868 825102746 /nfs/dbraw/zinc/10/27/46/825102746.db2.gz MWGSIVAUESOFOO-IGQOVBAYSA-N 2 0 290.367 -0.571 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1C[NH2+]CCN1 ZINC001220791202 825102766 /nfs/dbraw/zinc/10/27/66/825102766.db2.gz XFDFQWGKGDHXNK-MELADBBJSA-N 2 0 289.383 -0.590 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220802945 825103927 /nfs/dbraw/zinc/10/39/27/825103927.db2.gz AJMFLVTVLCATRW-UYXSQOIJSA-N 2 0 280.294 -0.810 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220804154 825104122 /nfs/dbraw/zinc/10/41/22/825104122.db2.gz NDMCOWRXQGUWEL-NXEZZACHSA-N 2 0 294.321 -0.452 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)C1 ZINC001220806041 825104191 /nfs/dbraw/zinc/10/41/91/825104191.db2.gz XEXRLXJMJRDRRX-BGZDPUMWSA-N 2 0 280.294 -0.668 20 0 CBADRP N[C@]1(C(=O)N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)CCC[NH2+]C1 ZINC001220803935 825104290 /nfs/dbraw/zinc/10/42/90/825104290.db2.gz MOVKFRKATJSFBL-WCABBAIRSA-N 2 0 294.321 -0.276 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220803086 825104564 /nfs/dbraw/zinc/10/45/64/825104564.db2.gz BOWFITPYZQREDD-GJMOJQLCSA-N 2 0 268.283 -0.681 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220804163 825104704 /nfs/dbraw/zinc/10/47/04/825104704.db2.gz NDMCOWRXQGUWEL-VHSXEESVSA-N 2 0 294.321 -0.452 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)C[NH2+]C1 ZINC001220827092 825107419 /nfs/dbraw/zinc/10/74/19/825107419.db2.gz GYBBBLPEIGZOKN-ONGXEEELSA-N 2 0 281.356 -0.089 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]2CC[C@@H]2[NH3+])C[NH2+]C1 ZINC001220828503 825107981 /nfs/dbraw/zinc/10/79/81/825107981.db2.gz OVLAKVBWWKKXPK-CBAPKCEASA-N 2 0 253.302 -0.740 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)C[NH2+]C1 ZINC001220827472 825108107 /nfs/dbraw/zinc/10/81/07/825108107.db2.gz OLORTVQODYJZKA-WPRPVWTQSA-N 2 0 285.319 -0.387 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]2[NH2+]C[C@H]3[C@@H]2C3(C)C)C[NH2+]C1 ZINC001220830418 825109145 /nfs/dbraw/zinc/10/91/45/825109145.db2.gz WLJPYXFMVCRFIN-DLOVCJGASA-N 2 0 293.367 -0.233 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220831419 825109274 /nfs/dbraw/zinc/10/92/74/825109274.db2.gz YYJRBMNCIMLDCB-MCIONIFRSA-N 2 0 299.415 -0.474 20 0 CBADRP CCOC(=O)C1=C(NC(=O)c2cc(C[NH3+])ccn2)C[NH2+]C1 ZINC001220831731 825109605 /nfs/dbraw/zinc/10/96/05/825109605.db2.gz DWNRQILKSZCYAM-UHFFFAOYSA-N 2 0 290.323 -0.310 20 0 CBADRP CCOC(=O)C1=C(NC(=O)CC2([NH3+])CCOCC2)C[NH2+]C1 ZINC001220830067 825109614 /nfs/dbraw/zinc/10/96/14/825109614.db2.gz MEUWJCOQSHHALM-UHFFFAOYSA-N 2 0 297.355 -0.579 20 0 CBADRP COC(=O)c1cncc(CNC(=O)[C@H]([NH3+])CCC[NH3+])c1 ZINC001220843284 825110895 /nfs/dbraw/zinc/11/08/95/825110895.db2.gz QOHISMLEYHBGCX-LLVKDONJSA-N 2 0 280.328 -0.449 20 0 CBADRP CCOC(=O)[C@@H](C)CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220848779 825111277 /nfs/dbraw/zinc/11/12/77/825111277.db2.gz IVSBRWAMHHVRAH-GXSJLCMTSA-N 2 0 271.361 -0.371 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@H]([NH2+]C)[C@@H](C)CC)C[NH2+]C1 ZINC001220851361 825111633 /nfs/dbraw/zinc/11/16/33/825111633.db2.gz SNTFVUHNCFSZPC-VHSXEESVSA-N 2 0 271.361 -0.358 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2ccsc2)C[NH2+]C1 ZINC001220851229 825112216 /nfs/dbraw/zinc/11/22/16/825112216.db2.gz MZTZPJQZPSRDJF-JTQLQIEISA-N 2 0 297.380 -0.361 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])c2ccccc2)C[NH2+]C1 ZINC001220851338 825112704 /nfs/dbraw/zinc/11/27/04/825112704.db2.gz REDNPYZDZXQQSK-NSHDSACASA-N 2 0 277.324 -0.292 20 0 CBADRP CCOC(=O)C1(NC(=O)C[C@@H]([NH3+])C(C)(C)C)C[NH2+]C1 ZINC001220851251 825112721 /nfs/dbraw/zinc/11/27/21/825112721.db2.gz NRPBJIHGEHSOEY-SECBINFHSA-N 2 0 271.361 -0.229 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001220857710 825113480 /nfs/dbraw/zinc/11/34/80/825113480.db2.gz ORCICPARPDVFSN-DNJQJEMRSA-N 2 0 254.378 -0.302 20 0 CBADRP [NH3+]Cc1ccccc1CNC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001220855160 825113661 /nfs/dbraw/zinc/11/36/61/825113661.db2.gz OKWVNCNFNCEZRP-NFAWXSAZSA-N 2 0 274.368 -0.017 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220860024 825113721 /nfs/dbraw/zinc/11/37/21/825113721.db2.gz YJQKBHGDGYUGRS-QWRGUYRKSA-N 3 0 256.394 -0.197 20 0 CBADRP N[C@]1(C(=O)NCCc2c[nH]c3cc[nH+]cc23)CC[NH2+]C1 ZINC001220865863 825114773 /nfs/dbraw/zinc/11/47/73/825114773.db2.gz NAAOIQWDPKZINU-CQSZACIVSA-N 2 0 273.340 -0.088 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)C[C@@H](O)C[NH3+])CC1 ZINC001221134281 825146861 /nfs/dbraw/zinc/14/68/61/825146861.db2.gz SYRVIIBVPWPWHQ-SNVBAGLBSA-N 2 0 259.350 -0.948 20 0 CBADRP O=C(NCc1cc2ccncc2[nH]1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220868855 825117094 /nfs/dbraw/zinc/11/70/94/825117094.db2.gz XDOMSCVNPMTBEE-GFCCVEGCSA-N 2 0 285.351 -0.012 20 0 CBADRP COC(=O)[C@@H]1C[C@H]1CNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220882713 825119465 /nfs/dbraw/zinc/11/94/65/825119465.db2.gz ZNJRDZSOOVMBML-GARJFASQSA-N 2 0 271.361 -0.242 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001220886466 825119620 /nfs/dbraw/zinc/11/96/20/825119620.db2.gz DGIUCTXFMSTQSI-AGIUHOORSA-N 2 0 294.399 -0.402 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220886724 825119833 /nfs/dbraw/zinc/11/98/33/825119833.db2.gz LDIMFFPJYXJMMX-SRVKXCTJSA-N 2 0 284.404 -0.267 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001220884758 825120120 /nfs/dbraw/zinc/12/01/20/825120120.db2.gz MIMXPZKVMRUNKQ-WHOHXGKFSA-N 2 0 253.346 -0.378 20 0 CBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220886575 825120311 /nfs/dbraw/zinc/12/03/11/825120311.db2.gz HEVIJHHYXDHKJB-ZJUUUORDSA-N 2 0 274.390 -0.991 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1C[NH2+]C[C@H]2CCO[C@H]21 ZINC001220890498 825120898 /nfs/dbraw/zinc/12/08/98/825120898.db2.gz XUYWWTGYWQVRST-DDHJBXDOSA-N 2 0 253.346 -0.521 20 0 CBADRP CCc1ccc(CN(CC[NH3+])C(=O)[C@@H](N)C[NH3+])cc1 ZINC001220903367 825122820 /nfs/dbraw/zinc/12/28/20/825122820.db2.gz RPLYMPALPKQIKJ-ZDUSSCGKSA-N 2 0 264.373 -0.178 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930025 825124431 /nfs/dbraw/zinc/12/44/31/825124431.db2.gz KLAOXBZDAHTTIK-GVXVVHGQSA-N 3 0 284.404 -0.450 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC001220933824 825125597 /nfs/dbraw/zinc/12/55/97/825125597.db2.gz BBQHPCFMAVDGBY-VXGBXAGGSA-N 2 0 277.372 -0.157 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220935901 825125907 /nfs/dbraw/zinc/12/59/07/825125907.db2.gz AJSMMFGZHMYXPR-JTQLQIEISA-N 2 0 271.365 -0.866 20 0 CBADRP [NH3+][C@@H](Cc1cccc(O)c1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937754 825127081 /nfs/dbraw/zinc/12/70/81/825127081.db2.gz ZLJDFPUVNUUUIB-KGLIPLIRSA-N 2 0 293.367 -0.243 20 0 CBADRP O=C(C=C1CC[NH2+]CC1)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937628 825127243 /nfs/dbraw/zinc/12/72/43/825127243.db2.gz WNPCGYDYFTZFFW-GFCCVEGCSA-N 2 0 253.346 -0.209 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937668 825127935 /nfs/dbraw/zinc/12/79/35/825127935.db2.gz XDNDKZSYEXKLBL-MNOVXSKESA-N 2 0 273.377 -0.377 20 0 CBADRP N=c1ncc(C[NH3+])cn1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220950982 825129006 /nfs/dbraw/zinc/12/90/06/825129006.db2.gz MMDNQRJHSVJFKV-NSHDSACASA-N 3 0 290.371 -0.664 20 0 CBADRP CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220960342 825130836 /nfs/dbraw/zinc/13/08/36/825130836.db2.gz LZKQIBXZAMBJSE-VWYCJHECSA-N 2 0 287.360 -0.863 20 0 CBADRP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220978199 825132185 /nfs/dbraw/zinc/13/21/85/825132185.db2.gz RBROUQHGPQMJHL-XQQFMLRXSA-N 2 0 285.388 -0.864 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001221006619 825133719 /nfs/dbraw/zinc/13/37/19/825133719.db2.gz KDNROBMJSLQRNB-SRVKXCTJSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CC[NH2+]2)CC1 ZINC001221007197 825134243 /nfs/dbraw/zinc/13/42/43/825134243.db2.gz ZOUMENNMKOSDBP-SRVKXCTJSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCO1 ZINC001221007827 825135323 /nfs/dbraw/zinc/13/53/23/825135323.db2.gz DXOGHALTJFNUIB-VWYCJHECSA-N 2 0 253.346 -0.521 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCc1nncs1 ZINC001221013124 825136960 /nfs/dbraw/zinc/13/69/60/825136960.db2.gz LLHJWCYAEZVMKL-VIFPVBQESA-N 2 0 271.390 -0.086 20 0 CBADRP COC[C@@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C1CC1 ZINC001221012986 825137136 /nfs/dbraw/zinc/13/71/36/825137136.db2.gz GQXDTZZDOKKGDD-QWHCGFSZSA-N 2 0 284.404 -0.722 20 0 CBADRP COC[C@@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C1CC1 ZINC001221012993 825137227 /nfs/dbraw/zinc/13/72/27/825137227.db2.gz GUUSVJGPELKBEM-GHMZBOCLSA-N 2 0 253.346 -0.663 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CC=CCC1 ZINC001221018453 825138726 /nfs/dbraw/zinc/13/87/26/825138726.db2.gz CSTJMSHHCCILKX-OLZOCXBDSA-N 2 0 266.389 -0.038 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC=CCC1 ZINC001221018455 825138782 /nfs/dbraw/zinc/13/87/82/825138782.db2.gz CSTJMSHHCCILKX-STQMWFEESA-N 2 0 266.389 -0.038 20 0 CBADRP O=C(N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1)[C@H]1[NH2+]CC[C@@H]1O ZINC001221056779 825140513 /nfs/dbraw/zinc/14/05/13/825140513.db2.gz ZPZJTHZDIRIPHJ-XUXIUFHCSA-N 2 0 297.399 -0.531 20 0 CBADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001221062318 825140581 /nfs/dbraw/zinc/14/05/81/825140581.db2.gz OFZKIKCPENLCAW-KGLIPLIRSA-N 2 0 299.415 -0.594 20 0 CBADRP COC(=O)c1ccc(CNC(=O)[C@H]([NH3+])CCC[NH3+])[nH]1 ZINC001221079521 825141434 /nfs/dbraw/zinc/14/14/34/825141434.db2.gz DBAVGILIAXGLMP-SECBINFHSA-N 2 0 268.317 -0.516 20 0 CBADRP O=C(NC1(c2cnccn2)CC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221082286 825141772 /nfs/dbraw/zinc/14/17/72/825141772.db2.gz OFGGDKHZRONWQY-JTQLQIEISA-N 2 0 273.340 -0.609 20 0 CBADRP CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091701 825142991 /nfs/dbraw/zinc/14/29/91/825142991.db2.gz UTYYPXNHIKHBGI-OLZOCXBDSA-N 2 0 287.404 -0.476 20 0 CBADRP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089283 825143259 /nfs/dbraw/zinc/14/32/59/825143259.db2.gz BPMMYOLLZGENGZ-UPJWGTAASA-N 2 0 287.404 -0.477 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)NC2(c3cccnc3)CC[NH2+]CC2)C1 ZINC001221123960 825144636 /nfs/dbraw/zinc/14/46/36/825144636.db2.gz QIJJSMAHVLWDSV-OLZOCXBDSA-N 2 0 289.383 -0.534 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC001221134346 825146738 /nfs/dbraw/zinc/14/67/38/825146738.db2.gz WYDIVGIAVYPNNT-QWRGUYRKSA-N 2 0 271.361 -0.934 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1cc(OCC2CC2)ncn1 ZINC001221158115 825149200 /nfs/dbraw/zinc/14/92/00/825149200.db2.gz UCVCGMQRSSPXTB-GFCCVEGCSA-N 2 0 293.371 -0.052 20 0 CBADRP CCn1cc(NC(=O)[C@@H]([NH3+])CCC[NH3+])ccc1=O ZINC001221176488 825149768 /nfs/dbraw/zinc/14/97/68/825149768.db2.gz AQHHEAVCALTKRF-JTQLQIEISA-N 2 0 252.318 -0.127 20 0 CBADRP O=C(NCCc1ccc(CO)cc1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221190740 825151062 /nfs/dbraw/zinc/15/10/62/825151062.db2.gz ZZCNPFUEUZPOBU-CQSZACIVSA-N 2 0 289.379 -0.353 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)C[C@H]1CCC[NH2+]C1 ZINC001221188287 825151699 /nfs/dbraw/zinc/15/16/99/825151699.db2.gz ROQHYDQPJLLOQU-MNOVXSKESA-N 2 0 271.361 -0.227 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)C=C1CC[NH2+]CC1 ZINC001221190708 825152096 /nfs/dbraw/zinc/15/20/96/825152096.db2.gz ZBZQDZKZKJLPLD-NSHDSACASA-N 2 0 269.345 -0.307 20 0 CBADRP CC(C)(C)N1CC(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001221193981 825153420 /nfs/dbraw/zinc/15/34/20/825153420.db2.gz IQVJIXSGFOGPGF-IAQYHMDHSA-N 2 0 280.416 -0.216 20 0 CBADRP [NH3+][C@H](C(=O)NCc1nc2cc[nH]cc-2n1)C1CC[NH2+]CC1 ZINC001221194918 825153504 /nfs/dbraw/zinc/15/35/04/825153504.db2.gz XEAQIPLHSHUPKI-ZDUSSCGKSA-N 2 0 288.355 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001221240849 825158693 /nfs/dbraw/zinc/15/86/93/825158693.db2.gz FRNCQKQIRCTLDG-ZWNOBZJWSA-N 2 0 285.392 -0.637 20 0 CBADRP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001221241247 825159113 /nfs/dbraw/zinc/15/91/13/825159113.db2.gz QZQWTGQWZPDSKX-DGCLKSJQSA-N 3 0 266.389 -0.604 20 0 CBADRP C[C@@]1([NH3+])C[C@H](NC(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC001221239650 825159224 /nfs/dbraw/zinc/15/92/24/825159224.db2.gz QTYLSGZAUOPFFE-OUJBWJOFSA-N 2 0 268.361 -0.678 20 0 CBADRP C[N@@H+]1CCC[C@](C)(NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1 ZINC001221243747 825160053 /nfs/dbraw/zinc/16/00/53/825160053.db2.gz MGLGPWIEKITUKQ-ZFWWWQNUSA-N 3 0 297.447 -0.663 20 0 CBADRP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001221243250 825160246 /nfs/dbraw/zinc/16/02/46/825160246.db2.gz HDCUJCLMQLEMRT-CMPLNLGQSA-N 3 0 274.434 -0.394 20 0 CBADRP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001221248067 825162009 /nfs/dbraw/zinc/16/20/09/825162009.db2.gz IJSFUQADZORPFU-YRGRVCCFSA-N 2 0 267.373 -0.252 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C1 ZINC001221254380 825162040 /nfs/dbraw/zinc/16/20/40/825162040.db2.gz NINYYRSFSVWVIT-ZDEQEGDKSA-N 2 0 267.373 -0.179 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001221254376 825162342 /nfs/dbraw/zinc/16/23/42/825162342.db2.gz NBXIKQWWNLRUTL-AVGNSLFASA-N 2 0 298.431 -0.068 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221250619 825162730 /nfs/dbraw/zinc/16/27/30/825162730.db2.gz RHIFLZWYAYDOMX-UKRRQHHQSA-N 2 0 280.416 -0.072 20 0 CBADRP O=C(NCCCCCO)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221281686 825166675 /nfs/dbraw/zinc/16/66/75/825166675.db2.gz ZNRIKKXNLYSXFA-DGCLKSJQSA-N 2 0 255.362 -0.536 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCCCCO ZINC001221285500 825167478 /nfs/dbraw/zinc/16/74/78/825167478.db2.gz PSFGAWCMMAMXCO-LBPRGKRZSA-N 2 0 272.393 -0.984 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1ccc2c(c1)CC(=O)N2 ZINC001221298244 825167738 /nfs/dbraw/zinc/16/77/38/825167738.db2.gz HPRRKLUMWZVROM-NSHDSACASA-N 2 0 276.340 -0.136 20 0 CBADRP O=C(NC1=CC(=O)NCC1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221316141 825169140 /nfs/dbraw/zinc/16/91/40/825169140.db2.gz GXEIJBNKUWJXEC-LLVKDONJSA-N 2 0 278.356 -0.619 20 0 CBADRP Cc1cnc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c(=O)[nH]1 ZINC001221328949 825170949 /nfs/dbraw/zinc/17/09/49/825170949.db2.gz OVIVGKWPZAQVPY-SECBINFHSA-N 2 0 265.317 -0.656 20 0 CBADRP Nc1cn(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c(N)nc1=O ZINC001221332071 825172186 /nfs/dbraw/zinc/17/21/86/825172186.db2.gz WWWWEFIUVHNPJW-SECBINFHSA-N 2 0 292.343 -0.835 20 0 CBADRP N[C@@]1(C(=O)N2Cc3ccccc3C[C@H]2C[NH3+])CC[NH2+]C1 ZINC001221331748 825172238 /nfs/dbraw/zinc/17/22/38/825172238.db2.gz FKRLLWITHWFGGI-ZFWWWQNUSA-N 2 0 274.368 -0.411 20 0 CBADRP O=C(NC[C@H](O)CF)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221338926 825174111 /nfs/dbraw/zinc/17/41/11/825174111.db2.gz VXXCIEVURQMGPU-NXEZZACHSA-N 2 0 259.325 -0.693 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCC[NH3+] ZINC001221349500 825174453 /nfs/dbraw/zinc/17/44/53/825174453.db2.gz YGJOTSMADQOXDZ-NXEZZACHSA-N 2 0 257.334 -0.760 20 0 CBADRP [NH3+]CCCCNC(=O)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001221344582 825175057 /nfs/dbraw/zinc/17/50/57/825175057.db2.gz AROTZVSTTNHQPB-STQMWFEESA-N 2 0 268.405 -0.085 20 0 CBADRP [NH3+]CCCCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221345082 825175085 /nfs/dbraw/zinc/17/50/85/825175085.db2.gz NTCIMXNQLAFYRY-LLVKDONJSA-N 3 0 254.378 -0.284 20 0 CBADRP [NH3+][C@H]1CCCCN(CC(=O)N[C@@H]2C[NH2+]CC[C@H]2F)C1=O ZINC001221367263 825175847 /nfs/dbraw/zinc/17/58/47/825175847.db2.gz OSSAESCZSIRGDZ-OUAUKWLOSA-N 2 0 286.351 -0.858 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221365953 825176099 /nfs/dbraw/zinc/17/60/99/825176099.db2.gz JSWKUWSRFIBJSK-OUAUKWLOSA-N 3 0 260.357 -0.480 20 0 CBADRP CC1(C)C(=O)NC[C@@H]1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001221369863 825177331 /nfs/dbraw/zinc/17/73/31/825177331.db2.gz NQBXSEITSLGVCW-IUCAKERBSA-N 2 0 256.350 -0.917 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H]1CNC(=O)C1(C)C ZINC001221368300 825177559 /nfs/dbraw/zinc/17/75/59/825177559.db2.gz FJQWHOLUCJQGRU-UWVGGRQHSA-N 2 0 270.377 -0.656 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@H]1CNC(=O)O1 ZINC001221370416 825177618 /nfs/dbraw/zinc/17/76/18/825177618.db2.gz QTFLBYMEMTZFJF-UWVGGRQHSA-N 2 0 272.349 -0.730 20 0 CBADRP CC1(C)C(=O)NC[C@H]1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001221369855 825177762 /nfs/dbraw/zinc/17/77/62/825177762.db2.gz NQBXSEITSLGVCW-DTWKUNHWSA-N 2 0 256.350 -0.917 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@@H](CO)c1ccccc1 ZINC001221376478 825178735 /nfs/dbraw/zinc/17/87/35/825178735.db2.gz DNOJSZYJKJQZOE-STQMWFEESA-N 2 0 297.424 -0.102 20 0 CBADRP CCCC(C[NH3+])(CCC)NC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001221373784 825179149 /nfs/dbraw/zinc/17/91/49/825179149.db2.gz NNYKSRWXNJLDMK-QWRGUYRKSA-N 2 0 257.378 -0.019 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001221388787 825179848 /nfs/dbraw/zinc/17/98/48/825179848.db2.gz FTXFKDSRPCNSAO-NSHDSACASA-N 2 0 295.391 -0.657 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001221388320 825180642 /nfs/dbraw/zinc/18/06/42/825180642.db2.gz BQQSPXRRVJCZEF-LBPRGKRZSA-N 3 0 298.435 -0.623 20 0 CBADRP NC1=CC=C(C2CCN(C(=O)C[NH2+]CCC[NH3+])CC2)[NH2+]C1 ZINC001221392854 825180693 /nfs/dbraw/zinc/18/06/93/825180693.db2.gz OOBQFYJSNIYSEH-UHFFFAOYSA-N 3 0 293.415 -0.507 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221396809 825180989 /nfs/dbraw/zinc/18/09/89/825180989.db2.gz BMQLXIDYQPCCSO-KBPBESRZSA-N 3 0 276.384 -0.117 20 0 CBADRP C[C@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1ccno1 ZINC001221397607 825181023 /nfs/dbraw/zinc/18/10/23/825181023.db2.gz OYHRZAHDWFJYJD-DTWKUNHWSA-N 2 0 250.302 -0.339 20 0 CBADRP C[C@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1ccno1 ZINC001221397612 825181770 /nfs/dbraw/zinc/18/17/70/825181770.db2.gz OYHRZAHDWFJYJD-IUCAKERBSA-N 2 0 250.302 -0.339 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221397910 825182476 /nfs/dbraw/zinc/18/24/76/825182476.db2.gz QGLWBVRWLLXOLU-STQMWFEESA-N 2 0 263.341 -0.473 20 0 CBADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1C[NH2+]C[C@H](O)C1 ZINC001221397920 825182534 /nfs/dbraw/zinc/18/25/34/825182534.db2.gz QJYBWJAFMSVACG-QLFBSQMISA-N 2 0 289.379 -0.213 20 0 CBADRP C[C@]1(NC(=O)[C@@H]([NH3+])CSCC[NH3+])CCCOC1 ZINC001221402733 825182563 /nfs/dbraw/zinc/18/25/63/825182563.db2.gz LCAJQZYKZREBCB-ONGXEEELSA-N 2 0 261.391 -0.309 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC001221399138 825182732 /nfs/dbraw/zinc/18/27/32/825182732.db2.gz MISKLZSROFZCPY-IHRRRGAJSA-N 2 0 274.368 -0.494 20 0 CBADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1 ZINC001221403618 825182976 /nfs/dbraw/zinc/18/29/76/825182976.db2.gz CTZLWIAHUXTILZ-RTXFEEFZSA-N 2 0 279.340 -0.466 20 0 CBADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]2C[C@H]([NH3+])CN2)c1 ZINC001221402709 825183394 /nfs/dbraw/zinc/18/33/94/825183394.db2.gz CTQHZEYYUYAOLU-WCFLWFBJSA-N 2 0 278.356 -0.500 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H](N)CC[NH3+])[C@H](C)C1 ZINC001221405858 825183724 /nfs/dbraw/zinc/18/37/24/825183724.db2.gz CDAKTLGHZZWXGU-WOPDTQHZSA-N 2 0 256.394 -0.103 20 0 CBADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@H]([NH3+])CCC[NH3+])c1 ZINC001221407309 825184020 /nfs/dbraw/zinc/18/40/20/825184020.db2.gz XTKQNRZJTQLTKO-OLZOCXBDSA-N 3 0 280.372 -0.123 20 0 CBADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@]2(N)CCC[NH2+]C2)c1 ZINC001221403974 825184422 /nfs/dbraw/zinc/18/44/22/825184422.db2.gz JZIYVTUTCMZSPG-ZFWWWQNUSA-N 2 0 292.383 -0.108 20 0 CBADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC001221404214 825184700 /nfs/dbraw/zinc/18/47/00/825184700.db2.gz LNGPGVGUZVPGEF-FRRDWIJNSA-N 2 0 279.340 -0.609 20 0 CBADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@H]2[NH2+]CC[C@@H]2O)c1 ZINC001221405254 825184741 /nfs/dbraw/zinc/18/47/41/825184741.db2.gz RFFRHXUCEWSJKL-AGIUHOORSA-N 2 0 279.340 -0.466 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC2(CO)CC[NH+](C)CC2)C1 ZINC001221403761 825184747 /nfs/dbraw/zinc/18/47/47/825184747.db2.gz WXCOBWSKIBTRAO-NEPJUHHUSA-N 2 0 269.389 -0.053 20 0 CBADRP [NH3+][C@H](C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1)C1CC[NH2+]CC1 ZINC001221408046 825185812 /nfs/dbraw/zinc/18/58/12/825185812.db2.gz GGUISMSEAYAHAC-KBPBESRZSA-N 3 0 280.416 -0.182 20 0 CBADRP Cc1nnc(CNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)[nH]1 ZINC001221409293 825185933 /nfs/dbraw/zinc/18/59/33/825185933.db2.gz TUPXDGAKOLMMJX-JTQLQIEISA-N 2 0 268.365 -0.211 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221411931 825187086 /nfs/dbraw/zinc/18/70/86/825187086.db2.gz ZOJVMXCDFYUGPG-RYUDHWBXSA-N 3 0 286.445 -0.490 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221411866 825187649 /nfs/dbraw/zinc/18/76/49/825187649.db2.gz YHLRHSLWWABMMY-CHWSQXEVSA-N 2 0 277.372 -0.216 20 0 CBADRP CN(C)C(=O)CN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789054 825194133 /nfs/dbraw/zinc/19/41/33/825194133.db2.gz DEMBYFDEPRYKJP-CHWSQXEVSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789301 825194175 /nfs/dbraw/zinc/19/41/75/825194175.db2.gz OPCWXYJBKXJWRD-QJPTWQEYSA-N 2 0 282.388 -0.655 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@H]2CCN([C@H]3CCNC3=O)C[C@H]21 ZINC001221789476 825194207 /nfs/dbraw/zinc/19/42/07/825194207.db2.gz YUAORWMGRFRZDO-FRRDWIJNSA-N 2 0 294.399 -0.641 20 0 CBADRP COC(=O)[C@H](C)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222085942 825199951 /nfs/dbraw/zinc/19/99/51/825199951.db2.gz PRZKVFVFSMLESM-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP O=c1cc[nH]cc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222105275 825201800 /nfs/dbraw/zinc/20/18/00/825201800.db2.gz YPCVQPASZPJRDC-UHFFFAOYSA-N 2 0 262.357 -0.098 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)O1 ZINC001222521583 825213805 /nfs/dbraw/zinc/21/38/05/825213805.db2.gz WQWVNJSXKGGDMG-XHDPSFHLSA-N 2 0 294.399 -0.878 20 0 CBADRP Nc1[nH]c(CN2CC[NH2+]C[C@]3(CCCCN3)C2)c[nH+]1 ZINC001222690922 825219758 /nfs/dbraw/zinc/21/97/58/825219758.db2.gz AMNKNSWUJDZXIF-CYBMUJFWSA-N 2 0 264.377 -0.091 20 0 CBADRP C([C@@H]1COCC[NH2+]1)N1CC[NH2+]C[C@@]2(CCCCN2)C1 ZINC001222667624 825220768 /nfs/dbraw/zinc/22/07/68/825220768.db2.gz GARIRCPMNVADNS-KGLIPLIRSA-N 2 0 268.405 -0.608 20 0 CBADRP C([C@H]1[C@@H]2C[NH2+]C[C@H]12)N1CC[NH2+]C[C@@]2(CCCCN2)C1 ZINC001222668419 825220814 /nfs/dbraw/zinc/22/08/14/825220814.db2.gz KFLPCLKJNGJMNY-YJNKXOJESA-N 2 0 264.417 -0.131 20 0 CBADRP C[N@H+](CC(=O)NCC1CC[NH+](CC(N)=O)CC1)C1CCC1 ZINC001223487117 825230609 /nfs/dbraw/zinc/23/06/09/825230609.db2.gz DXEYEVIRYMFOHA-UHFFFAOYSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+](C)CCC(=O)NCC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001224338496 825237455 /nfs/dbraw/zinc/23/74/55/825237455.db2.gz VCROHYYBPXRSII-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[C@H](C(=O)NCC1CC[NH+](CC(N)=O)CC1)[NH+](C)C ZINC001224403037 825239100 /nfs/dbraw/zinc/23/91/00/825239100.db2.gz UDQHJGIFGFYDJP-CQSZACIVSA-N 2 0 298.431 -0.114 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC1CC[NH+](CCO)CC1 ZINC001225448476 825255707 /nfs/dbraw/zinc/25/57/07/825255707.db2.gz LWVQXFBNCGKYAZ-UHFFFAOYSA-N 2 0 269.389 -0.097 20 0 CBADRP COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001226555134 825280262 /nfs/dbraw/zinc/28/02/62/825280262.db2.gz SSOVXFJJUBDUSG-UONOGXRCSA-N 2 0 299.415 -0.332 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228366541 825316728 /nfs/dbraw/zinc/31/67/28/825316728.db2.gz RVMJAGLIFMVRFS-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](C(N)=O)N1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228895359 825324007 /nfs/dbraw/zinc/32/40/07/825324007.db2.gz LTVAVOSXDNDQQW-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH+](C)CCC(=O)NC1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC001228999264 825326038 /nfs/dbraw/zinc/32/60/38/825326038.db2.gz QVDQRFCTLYMDIJ-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](C(=O)N(C)C)[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229008000 825326126 /nfs/dbraw/zinc/32/61/26/825326126.db2.gz HNXBQOQYIXLLPN-GFCCVEGCSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229008406 825326263 /nfs/dbraw/zinc/32/62/63/825326263.db2.gz NPFOYPUUPYPVJY-LBPRGKRZSA-N 2 0 284.404 -0.217 20 0 CBADRP COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001230262769 825344701 /nfs/dbraw/zinc/34/47/01/825344701.db2.gz RGRYDFLIWINSAN-JSGCOSHPSA-N 2 0 299.415 -0.474 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CCO[C@@H]3C[NH2+]C[C@@H]3C2)O1 ZINC001234971677 825478619 /nfs/dbraw/zinc/47/86/19/825478619.db2.gz RENLEMYUGFVVDW-GRYCIOLGSA-N 2 0 255.362 -0.369 20 0 CBADRP CC1(C)[NH2+][C@@H](CCN2CCNC[C@]23CC[NH2+]C3)CO1 ZINC001234978921 825480482 /nfs/dbraw/zinc/48/04/82/825480482.db2.gz CFPIVSATTALLFY-GXTWGEPZSA-N 2 0 268.405 -0.262 20 0 CBADRP C(CN1CCNC[C@]12CC[NH2+]C2)[C@@H]1C[NH2+]CCO1 ZINC001234981582 825480618 /nfs/dbraw/zinc/48/06/18/825480618.db2.gz OTHVDCGYVYWFPY-CHWSQXEVSA-N 2 0 254.378 -0.998 20 0 CBADRP C(c1nc2c(s1)C[NH2+]CC2)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235064910 825487331 /nfs/dbraw/zinc/48/73/31/825487331.db2.gz ZAOYQQNXGOZHGV-AWEZNQCLSA-N 2 0 293.440 -0.074 20 0 CBADRP [NH3+]CCCC[N@@H+]1CCCO[C@]2(CNCCOC2)C1 ZINC001235198243 825489530 /nfs/dbraw/zinc/48/95/30/825489530.db2.gz QQIFNMLTIYWNAT-CYBMUJFWSA-N 2 0 257.378 -0.194 20 0 CBADRP CCOC(=O)[C@@]12CN(CC[NH3+])C[C@@H]1CC[NH2+]CC2 ZINC001235350981 825493809 /nfs/dbraw/zinc/49/38/09/825493809.db2.gz WRXDEZPHJIIXDH-AAEUAGOBSA-N 2 0 255.362 -0.190 20 0 CBADRP C[C@H]([NH3+])CN1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001235519548 825498826 /nfs/dbraw/zinc/49/88/26/825498826.db2.gz XRDBWWMOTKSYFD-YNEHKIRRSA-N 2 0 277.372 -0.039 20 0 CBADRP [NH3+]CCCC[N@@H+]1C[C@H]2C[C@H](C(=O)N3CCOCC3)[C@@H](C1)O2 ZINC001235634196 825507904 /nfs/dbraw/zinc/50/79/04/825507904.db2.gz BMXXSABVDNOKFC-HZSPNIEDSA-N 2 0 297.399 -0.327 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN(CC[C@H]2COC(C)(C)[NH2+]2)C1 ZINC001235778101 825514164 /nfs/dbraw/zinc/51/41/64/825514164.db2.gz VNQUSTJPBGBFJB-UTUOFQBUSA-N 2 0 285.388 -0.077 20 0 CBADRP Fc1cncc(F)c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235868143 825515004 /nfs/dbraw/zinc/51/50/04/825515004.db2.gz AYHHJLGECBXGCO-UHFFFAOYSA-N 2 0 299.369 -0.056 20 0 CBADRP O=c1[nH]cccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235868139 825515277 /nfs/dbraw/zinc/51/52/77/825515277.db2.gz AVJZJFFBCXZUAC-UHFFFAOYSA-N 2 0 279.388 -0.628 20 0 CBADRP COC(=O)C[C@@H]1C[NH2+]CCN1C[C@H]1CCCC[NH2+]1 ZINC001235847344 825515309 /nfs/dbraw/zinc/51/53/09/825515309.db2.gz UCIWYUFFNNSCOO-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP Cn1cnc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235868878 825515712 /nfs/dbraw/zinc/51/57/12/825515712.db2.gz GICQBRVLBRKYIC-UHFFFAOYSA-N 2 0 266.393 -0.996 20 0 CBADRP Cc1ncc(CN2CC[NH2+]CCNCC[NH2+]CC2)o1 ZINC001235871256 825516472 /nfs/dbraw/zinc/51/64/72/825516472.db2.gz SVCKUVAHRYKOBA-UHFFFAOYSA-N 2 0 267.377 -0.433 20 0 CBADRP CCn1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)cn1 ZINC001235870929 825516671 /nfs/dbraw/zinc/51/66/71/825516671.db2.gz QEYZGNFVBIKQRV-UHFFFAOYSA-N 2 0 280.420 -0.513 20 0 CBADRP C(CC1OCCO1)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870043 825516931 /nfs/dbraw/zinc/51/69/31/825516931.db2.gz MUIPGWDJVIIWDE-UHFFFAOYSA-N 2 0 286.420 -0.776 20 0 CBADRP Cc1c[nH]c(=O)c(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235871154 825516982 /nfs/dbraw/zinc/51/69/82/825516982.db2.gz QFGHLNNJJZJJIN-UHFFFAOYSA-N 2 0 293.415 -0.320 20 0 CBADRP C[NH+](C)CC(C)(C)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870172 825517047 /nfs/dbraw/zinc/51/70/47/825517047.db2.gz OVNGGWYPPXLMGX-UHFFFAOYSA-N 3 0 285.480 -0.341 20 0 CBADRP Cn1nccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870170 825517218 /nfs/dbraw/zinc/51/72/18/825517218.db2.gz OSLQXQRADDUYIZ-UHFFFAOYSA-N 2 0 266.393 -0.996 20 0 CBADRP Nc1c(F)cccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235874145 825518505 /nfs/dbraw/zinc/51/85/05/825518505.db2.gz LJWQBGZMGKFTSS-UHFFFAOYSA-N 2 0 295.406 -0.008 20 0 CBADRP C[C@H]1CNCC(F)(F)[C@@H]1CN(CC[NH3+])CC[NH3+] ZINC001235876655 825518832 /nfs/dbraw/zinc/51/88/32/825518832.db2.gz HCVWYFNCQDHKAC-VHSXEESVSA-N 2 0 250.337 -0.303 20 0 CBADRP CCOC(=O)[C@]12CN(C[C@@H]3C[NH2+]CCO3)C[C@H]1C[NH2+]CC2 ZINC001236037006 825519515 /nfs/dbraw/zinc/51/95/15/825519515.db2.gz CCHVFCSOOLUETL-VNHYZAJKSA-N 2 0 297.399 -0.551 20 0 CBADRP CCOC(=O)[C@]12CN(C[C@H]3CC[NH2+]3)C[C@H]1C[NH2+]CC2 ZINC001236037427 825520130 /nfs/dbraw/zinc/52/01/30/825520130.db2.gz HUHXIDCHGUQSRW-YRGRVCCFSA-N 2 0 267.373 -0.177 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1C[C@@H]1CCC[N@H+](C)C1 ZINC001236053466 825521487 /nfs/dbraw/zinc/52/14/87/825521487.db2.gz WWEPEMAETSTSOY-NEPJUHHUSA-N 2 0 255.362 -0.225 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1C[C@@H]1CCC[N@H+](C)C1 ZINC001236195323 825522861 /nfs/dbraw/zinc/52/28/61/825522861.db2.gz HEXPIDZVCFKMBJ-WOPDTQHZSA-N 2 0 255.362 -0.097 20 0 CBADRP [NH3+]CCNC(=O)c1cccc(CN2C[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC001236290129 825525627 /nfs/dbraw/zinc/52/56/27/825525627.db2.gz JEHAOBDUNFEOOK-KBPBESRZSA-N 2 0 274.368 -0.221 20 0 CBADRP COC(=O)[C@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@@H]1N ZINC001236343986 825527793 /nfs/dbraw/zinc/52/77/93/825527793.db2.gz QPNMAKOZCOEJCB-RYUDHWBXSA-N 2 0 255.362 -0.192 20 0 CBADRP COC(=O)[C@@H]1CN(CC[C@H]2COC(C)(C)[NH2+]2)C[C@H]1[NH3+] ZINC001236345818 825528194 /nfs/dbraw/zinc/52/81/94/825528194.db2.gz VARJVAQHQWXNAC-HBNTYKKESA-N 2 0 271.361 -0.467 20 0 CBADRP COC(=O)[C@@H]1C[N@H+](CCC23CC([NH3+])(C2)C3)C[C@@H]1N ZINC001236343230 825528743 /nfs/dbraw/zinc/52/87/43/825528743.db2.gz OYHGDFCTJZEXRQ-PGKBUCCNSA-N 2 0 253.346 -0.310 20 0 CBADRP COC(=O)[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)C[C@@H]1N ZINC001236346204 825529600 /nfs/dbraw/zinc/52/96/00/825529600.db2.gz YFQUHCDSPWGMJI-NEPJUHHUSA-N 2 0 255.362 -0.240 20 0 CBADRP CCOC(=O)[C@@H]1CN(C[C@@H](C)[NH3+])CCC12C[NH2+]C2 ZINC001237411913 825535424 /nfs/dbraw/zinc/53/54/24/825535424.db2.gz QVFIYBDRJXYRFI-MNOVXSKESA-N 3 0 255.362 -0.192 20 0 CBADRP CCOC(=O)[C@H]1CN(C[C@H](C)[NH3+])CCC12C[NH2+]C2 ZINC001237411916 825535469 /nfs/dbraw/zinc/53/54/69/825535469.db2.gz QVFIYBDRJXYRFI-WDEREUQCSA-N 3 0 255.362 -0.192 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001237552323 825537432 /nfs/dbraw/zinc/53/74/32/825537432.db2.gz BJDVJMVEPIQASY-UHFFFAOYSA-N 2 0 299.400 -0.291 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1ccc2c(c1)C[C@@H]([NH3+])C2 ZINC001237741175 825542836 /nfs/dbraw/zinc/54/28/36/825542836.db2.gz GHMZXCCCTDYQNF-JTQLQIEISA-N 2 0 255.343 -0.187 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1ccc(C2(O)CC[NH2+]CC2)cc1 ZINC001237994308 825543483 /nfs/dbraw/zinc/54/34/83/825543483.db2.gz KZHJRKGNOPLUEJ-UHFFFAOYSA-N 2 0 299.396 -0.042 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001238017654 825544161 /nfs/dbraw/zinc/54/41/61/825544161.db2.gz KTERVFGTQPYXMR-GZMMTYOYSA-N 2 0 283.353 -0.165 20 0 CBADRP C[C@H]1CC[C@H](NS(=O)(=O)C2CC[NH2+]CC2)C[NH2+]1 ZINC001238044273 825545429 /nfs/dbraw/zinc/54/54/29/825545429.db2.gz ZGLRHSUBGISAJO-UWVGGRQHSA-N 2 0 261.391 -0.202 20 0 CBADRP O=S(=O)(N[C@@H]1CCCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001238094337 825547057 /nfs/dbraw/zinc/54/70/57/825547057.db2.gz GQFLQYRRVLKAJZ-SNVBAGLBSA-N 2 0 261.391 -0.200 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1CNS(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC001238181125 825548965 /nfs/dbraw/zinc/54/89/65/825548965.db2.gz FCWGERDEMQFRBH-GMTAPVOTSA-N 2 0 261.391 -0.487 20 0 CBADRP [NH3+]CCS(=O)(=O)NCC1CC2(C1)CC[NH2+]CC2 ZINC001238221147 825549847 /nfs/dbraw/zinc/54/98/47/825549847.db2.gz NEXHGFSOTDJVRO-UHFFFAOYSA-N 2 0 261.391 -0.356 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001238327861 825550516 /nfs/dbraw/zinc/55/05/16/825550516.db2.gz QMOUWFXYCCNDLE-VWYCJHECSA-N 2 0 261.391 -0.500 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@]12C[C@H]1C[NH2+]C2 ZINC001238303316 825550717 /nfs/dbraw/zinc/55/07/17/825550717.db2.gz UOVNCGLZSWHPHU-QWRGUYRKSA-N 2 0 259.375 -0.733 20 0 CBADRP [NH3+]CCS(=O)(=O)N[C@@H]1CNCc2ccsc21 ZINC001238312969 825550733 /nfs/dbraw/zinc/55/07/33/825550733.db2.gz NGFKMZJWRFAXAN-MRVPVSSYSA-N 2 0 261.372 -0.230 20 0 CBADRP C[C@]1(CNS(=O)(=O)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC001238485081 825554412 /nfs/dbraw/zinc/55/44/12/825554412.db2.gz KFRIGNUKYGLGEA-LBPRGKRZSA-N 2 0 275.418 -0.095 20 0 CBADRP [NH3+]CCS(=O)(=O)N[C@H]1CCOC2(CC[NH2+]CC2)C1 ZINC001238545448 825556490 /nfs/dbraw/zinc/55/64/90/825556490.db2.gz USBSVTUGXLIOSJ-JTQLQIEISA-N 2 0 277.390 -0.834 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001238748994 825563221 /nfs/dbraw/zinc/56/32/21/825563221.db2.gz ROEXPZDWKBDEOI-VXGBXAGGSA-N 2 0 284.385 -0.390 20 0 CBADRP [NH3+]CCS(=O)(=O)N[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001238807455 825564249 /nfs/dbraw/zinc/56/42/49/825564249.db2.gz GRDXMUXTUBWZAF-GFCCVEGCSA-N 2 0 291.417 -0.635 20 0 CBADRP [NH3+]CCS(=O)(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001238860042 825567892 /nfs/dbraw/zinc/56/78/92/825567892.db2.gz UCCWINPPYSRMGT-UHFFFAOYSA-N 2 0 284.385 -0.462 20 0 CBADRP C[N@H+](CCO)CCCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238901727 825569711 /nfs/dbraw/zinc/56/97/11/825569711.db2.gz YZDNOKAJFLDKKD-UHFFFAOYSA-N 2 0 293.433 -0.780 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001238918527 825572623 /nfs/dbraw/zinc/57/26/23/825572623.db2.gz FHMUTEGMMHPBLA-UHFFFAOYSA-N 2 0 270.358 -0.508 20 0 CBADRP C[C@@]1([NH3+])CCCN(S(=O)(=O)[C@H]2CC[NH2+]C2)CC1 ZINC001238937282 825573989 /nfs/dbraw/zinc/57/39/89/825573989.db2.gz UJHBPACFRLAUAC-WDEREUQCSA-N 2 0 261.391 -0.119 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CCC[C@H]1C[NH3+] ZINC001238957078 825576871 /nfs/dbraw/zinc/57/68/71/825576871.db2.gz UHSIIQWGRAQWIJ-GRYCIOLGSA-N 2 0 275.418 -0.015 20 0 CBADRP C[NH2+]CC1CN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001238989179 825581561 /nfs/dbraw/zinc/58/15/61/825581561.db2.gz NBKSHICGBNLBGH-UHFFFAOYSA-N 2 0 261.391 -0.533 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001239013521 825582585 /nfs/dbraw/zinc/58/25/85/825582585.db2.gz CHKGNFAZNQJIOZ-QWHCGFSZSA-N 2 0 287.429 0.000 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001239060441 825584268 /nfs/dbraw/zinc/58/42/68/825584268.db2.gz UEKHSASMOZVIBB-RYUDHWBXSA-N 2 0 273.402 -0.391 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001239078114 825584978 /nfs/dbraw/zinc/58/49/78/825584978.db2.gz XQWLTUPRWOUQHF-UHFFFAOYSA-N 2 0 273.402 -0.307 20 0 CBADRP CC[C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CC[NH2+]1 ZINC001239085808 825586145 /nfs/dbraw/zinc/58/61/45/825586145.db2.gz HTWDEBYUJREAKY-LBPRGKRZSA-N 2 0 275.418 0.000 20 0 CBADRP CCC[C@H]1CN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001239119292 825589853 /nfs/dbraw/zinc/58/98/53/825589853.db2.gz UFCSXFOSXSNHLP-WDEREUQCSA-N 2 0 261.391 -0.248 20 0 CBADRP CCC[NH+]1C[C@H]2CN(S(=O)(=O)CC[NH3+])C[C@@H]2C1 ZINC001239133721 825593406 /nfs/dbraw/zinc/59/34/06/825593406.db2.gz SVVUNTOTWFKUPM-QWRGUYRKSA-N 2 0 261.391 -0.452 20 0 CBADRP COC(=O)[C@H](CCCC[NH3+])NC(=S)NCC[NH+](C)C ZINC001239369521 825600276 /nfs/dbraw/zinc/60/02/76/825600276.db2.gz SUFDWCAGFKAEGW-JTQLQIEISA-N 2 0 290.433 -0.317 20 0 CBADRP CC[NH+](CC)CCCNC(=S)NC[C@@H]1C[NH2+]CCN1 ZINC001239400063 825602270 /nfs/dbraw/zinc/60/22/70/825602270.db2.gz UUPLSFKGIACOMM-LBPRGKRZSA-N 2 0 287.477 -0.256 20 0 CBADRP C[NH+](C)CCNC(=S)N1CCNC[C@@]12CC[NH2+]C2 ZINC001239424611 825603706 /nfs/dbraw/zinc/60/37/06/825603706.db2.gz VVMKMGHXEQPOMS-LBPRGKRZSA-N 2 0 271.434 -0.940 20 0 CBADRP C[NH+](C)CCNC(=S)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001239424027 825603901 /nfs/dbraw/zinc/60/39/01/825603901.db2.gz PMMWCMOIEKXXGK-RYUDHWBXSA-N 2 0 285.461 -0.552 20 0 CBADRP c1nc(N2CC[NH2+]CC2)ncc1-c1ncc2c(n1)C[NH2+]CC2 ZINC001241895257 825608838 /nfs/dbraw/zinc/60/88/38/825608838.db2.gz PVJKEAJVZIEOCH-UHFFFAOYSA-N 2 0 297.366 -0.011 20 0 CBADRP CCCCOC[C@@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001245973282 825615770 /nfs/dbraw/zinc/61/57/70/825615770.db2.gz JTPWEBXTSMQDFQ-RWMBFGLXSA-N 2 0 278.368 -0.184 20 0 CBADRP COC(=O)[C@H](CCCC[NH3+])NC[C@H](O)C[NH2+]C(C)(C)C ZINC001245978998 825616186 /nfs/dbraw/zinc/61/61/86/825616186.db2.gz RFBAEDOQMJJSMS-RYUDHWBXSA-N 2 0 289.420 -0.004 20 0 CBADRP COC(=O)[C@H](CCCC[NH3+])NC[C@]1(O)CCC[NH2+]C1 ZINC001245978519 825616393 /nfs/dbraw/zinc/61/63/93/825616393.db2.gz MYRVNKWYBSRMCL-AAEUAGOBSA-N 2 0 273.377 -0.639 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245982139 825616925 /nfs/dbraw/zinc/61/69/25/825616925.db2.gz KFLQAFJUIUUZRL-MCIONIFRSA-N 3 0 285.432 -0.313 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)CNC1CN(C2CC[NH2+]CC2)C1 ZINC001245987928 825618214 /nfs/dbraw/zinc/61/82/14/825618214.db2.gz FZPGVFVLKYMTSE-AWEZNQCLSA-N 2 0 284.448 -0.239 20 0 CBADRP O[C@@H](CN[C@H]1C[NH2+]CC12CC2)CC1(O)CC[NH2+]CC1 ZINC001245988393 825618246 /nfs/dbraw/zinc/61/82/46/825618246.db2.gz VSAHDORYIYRZRN-NEPJUHHUSA-N 2 0 269.389 -0.807 20 0 CBADRP O[C@@]1(CNC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC[NH2+]C1 ZINC001245983409 825618328 /nfs/dbraw/zinc/61/83/28/825618328.db2.gz GGYQZAGRYXJEBQ-JSGCOSHPSA-N 3 0 268.405 -0.825 20 0 CBADRP CCCOC[C@H](O)C[NH2+]CC1(C(=O)OC)CC[NH2+]CC1 ZINC001245998959 825619258 /nfs/dbraw/zinc/61/92/58/825619258.db2.gz ZYTSADIEDWYJBA-GFCCVEGCSA-N 2 0 288.388 -0.094 20 0 CBADRP CC(C)(C)OC[C@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246005231 825619325 /nfs/dbraw/zinc/61/93/25/825619325.db2.gz FAXGVQZQGSDHSV-MNOVXSKESA-N 2 0 275.393 -0.265 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@H](O)C(F)(F)F ZINC001246010019 825620333 /nfs/dbraw/zinc/62/03/33/825620333.db2.gz VUKATSSSGMTDAS-NKWVEPMBSA-N 2 0 257.256 -0.518 20 0 CBADRP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246015246 825620585 /nfs/dbraw/zinc/62/05/85/825620585.db2.gz YDYDQDXQQWBJPP-XQQFMLRXSA-N 3 0 271.405 -0.289 20 0 CBADRP C[C@H]1C[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001246015933 825620936 /nfs/dbraw/zinc/62/09/36/825620936.db2.gz JPMYLTNYGPMRGK-XQQFMLRXSA-N 3 0 271.405 -0.622 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)COCc1ccco1 ZINC001246006157 825621193 /nfs/dbraw/zinc/62/11/93/825621193.db2.gz HJDQLBIITBNHAK-AAEUAGOBSA-N 2 0 299.371 -0.270 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC12C[NH2+]C2 ZINC001246010071 825621322 /nfs/dbraw/zinc/62/13/22/825621322.db2.gz MJISFTXGVWZHLW-MJBXVCDLSA-N 2 0 261.369 -0.131 20 0 CBADRP [NH3+]C[C@]1(O)CCC[N@H+](C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001246020934 825622926 /nfs/dbraw/zinc/62/29/26/825622926.db2.gz MRXMFBQDJJETKC-QWHCGFSZSA-N 3 0 257.378 -0.723 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C[C@@H](O)C(F)(F)F ZINC001246018560 825623034 /nfs/dbraw/zinc/62/30/34/825623034.db2.gz GOKPJDKIMYHPRX-JGVFFNPUSA-N 2 0 271.283 -0.257 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]CC1(O)CCOCC1 ZINC001246018628 825623102 /nfs/dbraw/zinc/62/31/02/825623102.db2.gz HASSJUVICUZYSN-NSHDSACASA-N 2 0 273.377 -0.639 20 0 CBADRP CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246020266 825623237 /nfs/dbraw/zinc/62/32/37/825623237.db2.gz KGSJXVANQMRXJG-WCQYABFASA-N 2 0 274.361 -0.524 20 0 CBADRP C[C@@H]1CCN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001246017981 825623245 /nfs/dbraw/zinc/62/32/45/825623245.db2.gz CADZLCWGBQKODS-AGIUHOORSA-N 2 0 271.405 -0.479 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246024600 825624024 /nfs/dbraw/zinc/62/40/24/825624024.db2.gz HXBCLRJTVDNNDL-KGLIPLIRSA-N 2 0 270.421 -0.674 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN1CCNC[C@@]12CC[NH2+]C2 ZINC001246024396 825624292 /nfs/dbraw/zinc/62/42/92/825624292.db2.gz FQHYGNJPOWMKPJ-KBPBESRZSA-N 2 0 270.421 -0.674 20 0 CBADRP C[C@@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CCC[C@@H]1C[NH3+] ZINC001246024185 825624422 /nfs/dbraw/zinc/62/44/22/825624422.db2.gz QVSOKAQNDXXIAA-KFWWJZLASA-N 2 0 285.432 -0.014 20 0 CBADRP C[C@@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CCC[C@@H]1C[NH3+] ZINC001246024189 825624572 /nfs/dbraw/zinc/62/45/72/825624572.db2.gz QVSOKAQNDXXIAA-RBSFLKMASA-N 2 0 285.432 -0.014 20 0 CBADRP CC(C)(C)OC(=O)[C@@H](O)C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246023031 825624750 /nfs/dbraw/zinc/62/47/50/825624750.db2.gz RTCQXVLQFRWTFM-SMDDNHRTSA-N 2 0 288.388 -0.135 20 0 CBADRP [NH3+]C[C@@]1(O)CCCCN(C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001246025091 825625736 /nfs/dbraw/zinc/62/57/36/825625736.db2.gz SGFPXCOFHJAHON-QWHCGFSZSA-N 2 0 257.378 -0.723 20 0 CBADRP C[C@@H]1CC[C@H](C[NH3+])N(C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246026580 825625866 /nfs/dbraw/zinc/62/58/66/825625866.db2.gz WGHIUPKLJXDBMO-MCIONIFRSA-N 2 0 285.432 -0.089 20 0 CBADRP [NH3+]CC1(F)CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC001246025855 825626233 /nfs/dbraw/zinc/62/62/33/825626233.db2.gz SNFYXRNVWVVQQP-GFCCVEGCSA-N 2 0 275.368 -0.558 20 0 CBADRP CCCOC[C@H](O)CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246029114 825628242 /nfs/dbraw/zinc/62/82/42/825628242.db2.gz VHUGHTHDKANIJZ-OLZOCXBDSA-N 2 0 257.378 -0.589 20 0 CBADRP CCCOC[C@@H](O)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246032418 825628299 /nfs/dbraw/zinc/62/82/99/825628299.db2.gz SSKWYRNWNUYZDY-ZDUSSCGKSA-N 2 0 271.405 -0.199 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246047324 825629615 /nfs/dbraw/zinc/62/96/15/825629615.db2.gz RYYNABZGSRYPQT-XQLPTFJDSA-N 2 0 261.369 -0.050 20 0 CBADRP [NH3+]CCN(CC[NH3+])C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246055950 825630335 /nfs/dbraw/zinc/63/03/35/825630335.db2.gz NDHXKPPQIPBLHO-UONOGXRCSA-N 3 0 266.389 -0.863 20 0 CBADRP CC(C)[C@@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246054471 825630377 /nfs/dbraw/zinc/63/03/77/825630377.db2.gz JMAKOQFQVWZBLZ-ZDUSSCGKSA-N 2 0 258.410 -0.912 20 0 CBADRP CN(C[C@H](O)CC1(O)CC[NH2+]CC1)C[C@@H]1CCC[NH2+]1 ZINC001246054339 825630749 /nfs/dbraw/zinc/63/07/49/825630749.db2.gz XUNVSTAQOODRSM-QWHCGFSZSA-N 2 0 271.405 -0.464 20 0 CBADRP O=C1CCCCN1CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246075162 825632354 /nfs/dbraw/zinc/63/23/54/825632354.db2.gz HVSYBCVPMAVNCJ-GFCCVEGCSA-N 2 0 266.389 -0.318 20 0 CBADRP O=C1C[C@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)CCN1C1CC1 ZINC001246085463 825633530 /nfs/dbraw/zinc/63/35/30/825633530.db2.gz WZAIRHASRJGOLG-SCDSUCTJSA-N 2 0 285.363 -0.208 20 0 CBADRP c1cnc(N2CC[C@H]([NH2+][C@H]3CCNC4(C[NH2+]C4)C3)C2)nc1 ZINC001246083491 825634101 /nfs/dbraw/zinc/63/41/01/825634101.db2.gz ZOWUXWQZBYCGSX-STQMWFEESA-N 2 0 288.399 -0.261 20 0 CBADRP O[C@@]1(C[NH2+][C@H]2CCC[C@@H](n3ncnn3)C2)CC[NH2+]C[C@@H]1F ZINC001246088031 825634890 /nfs/dbraw/zinc/63/48/90/825634890.db2.gz HPWYDNSWLXEJGK-QNWHQSFQSA-N 2 0 298.366 -0.191 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246097890 825635668 /nfs/dbraw/zinc/63/56/68/825635668.db2.gz IMLWFZSGYVOMIG-XQQFMLRXSA-N 3 0 252.406 -0.084 20 0 CBADRP CCOC(=O)c1c(C[NH3+])ncn1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246097666 825636256 /nfs/dbraw/zinc/63/62/56/825636256.db2.gz ZVIMTRGERCCQEH-JTQLQIEISA-N 2 0 293.371 -0.215 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001246126062 825637571 /nfs/dbraw/zinc/63/75/71/825637571.db2.gz KGYVWUUWTGDOJM-UONOGXRCSA-N 3 0 294.443 -0.171 20 0 CBADRP C(N[C@@H]1CCC[NH2+]C1)c1nnn2c1C[NH2+]CCC2 ZINC001246128823 825637667 /nfs/dbraw/zinc/63/76/67/825637667.db2.gz FKIUTXOABODYQV-SNVBAGLBSA-N 2 0 250.350 -0.387 20 0 CBADRP CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]CCN2CC[NH2+]CC2)CN1 ZINC001246121480 825638021 /nfs/dbraw/zinc/63/80/21/825638021.db2.gz ZAWVSNIZOUBXRT-STQMWFEESA-N 2 0 298.431 -0.447 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C[C@@H]2C)CN1 ZINC001246116433 825638066 /nfs/dbraw/zinc/63/80/66/825638066.db2.gz FHJOKHFVICOHFV-BJDJZHNGSA-N 2 0 255.362 -0.132 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CC2(CC[NH2+]CC2)O1 ZINC001246135471 825638486 /nfs/dbraw/zinc/63/84/86/825638486.db2.gz YJDUHTOLYYTHPD-STQMWFEESA-N 3 0 280.416 -0.419 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2COC3(C[NH2+]C3)C2)CN1 ZINC001246136030 825639160 /nfs/dbraw/zinc/63/91/60/825639160.db2.gz QXDUGHAFSZNAFR-WOPDTQHZSA-N 2 0 283.372 -0.752 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC001246137062 825639468 /nfs/dbraw/zinc/63/94/68/825639468.db2.gz HVDWDYIRBSXMOW-SYQHCUMBSA-N 3 0 264.417 -0.084 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC3(C[NH2+]C3)CO2)CN1 ZINC001246131063 825639497 /nfs/dbraw/zinc/63/94/97/825639497.db2.gz QPEVXBXRILQOJT-WOPDTQHZSA-N 2 0 283.372 -0.752 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(NC2CCC3(C[NH2+]C3)CC2)N1 ZINC001246141507 825640374 /nfs/dbraw/zinc/64/03/74/825640374.db2.gz DFPALELTDIVDRX-FZMZJTMJSA-N 2 0 264.373 -0.314 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CN1 ZINC001246149029 825640994 /nfs/dbraw/zinc/64/09/94/825640994.db2.gz PVAAMHFOWQVDMU-MLGHIDQZSA-N 2 0 267.373 -0.132 20 0 CBADRP COC(=O)[C@H](CCCC[NH3+])N[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246149164 825641013 /nfs/dbraw/zinc/64/10/13/825641013.db2.gz ABZRXWBQTJQDMI-RYUDHWBXSA-N 2 0 285.388 -0.232 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CO[C@]3(CC[NH2+]C3)C2)CN1 ZINC001246149699 825641031 /nfs/dbraw/zinc/64/10/31/825641031.db2.gz DYAYVGAVVBVKQR-SRRSOLGSSA-N 2 0 269.345 -1.000 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@]23C[NH2+][C@@H](CO2)C3)CN1 ZINC001246146073 825641044 /nfs/dbraw/zinc/64/10/44/825641044.db2.gz XXEZLVAJBLJEJZ-NOHGZBONSA-N 2 0 269.345 -1.000 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCO[C@@]3(CC[NH2+]C3)C2)CN1 ZINC001246147161 825641238 /nfs/dbraw/zinc/64/12/38/825641238.db2.gz JYGIKMFNQTXYCG-ABHRYQDASA-N 2 0 297.399 -0.219 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)CN1 ZINC001246146607 825641264 /nfs/dbraw/zinc/64/12/64/825641264.db2.gz GVBJPHZTGCAYRH-ZUWCUPBKSA-N 2 0 297.399 -0.506 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(N[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)N1 ZINC001246144362 825641375 /nfs/dbraw/zinc/64/13/75/825641375.db2.gz KSHPUPIOOJBDHZ-VGDATSSVSA-N 2 0 250.346 -0.848 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CC[C@@H]2[NH2+]CCO[C@H]12 ZINC001246150048 825642250 /nfs/dbraw/zinc/64/22/50/825642250.db2.gz LXTUAKLASYDTEP-RFQIPJPRSA-N 3 0 280.416 -0.563 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)CN1 ZINC001246151085 825642347 /nfs/dbraw/zinc/64/23/47/825642347.db2.gz VZBBMKRTPOIVAJ-KVSVUVNWSA-N 2 0 283.372 -0.896 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1CC[C@@H]3NCCO[C@H]31)CCN2 ZINC001246153088 825642718 /nfs/dbraw/zinc/64/27/18/825642718.db2.gz VYXXZINIIDUFSG-ZDEQEGDKSA-N 2 0 266.389 -0.811 20 0 CBADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@]13CC[NH2+][C@@H]1CC(=O)N3)C2 ZINC001246155045 825643210 /nfs/dbraw/zinc/64/32/10/825643210.db2.gz WUZNOCNNMXBAIM-CYRBOEJBSA-N 2 0 264.373 -0.221 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CCN2 ZINC001246154804 825643436 /nfs/dbraw/zinc/64/34/36/825643436.db2.gz CFWYPAXFSGVGRU-XQHKEYJVSA-N 3 0 250.390 -0.047 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CCN2 ZINC001246154793 825643461 /nfs/dbraw/zinc/64/34/61/825643461.db2.gz CFWYPAXFSGVGRU-QNWHQSFQSA-N 3 0 250.390 -0.047 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CN1 ZINC001246159665 825643704 /nfs/dbraw/zinc/64/37/04/825643704.db2.gz ZAWDXUFGUWTEOV-HTVCTNPSSA-N 2 0 297.399 -0.506 20 0 CBADRP [NH3+]CCN(c1ncccn1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246171250 825644361 /nfs/dbraw/zinc/64/43/61/825644361.db2.gz LYPDMOBGGCVWJF-NSHDSACASA-N 2 0 262.361 -0.664 20 0 CBADRP CSCC[C@@H](CO)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246171946 825644392 /nfs/dbraw/zinc/64/43/92/825644392.db2.gz AWWXEKOBCPYPTM-MNOVXSKESA-N 2 0 259.419 -0.216 20 0 CBADRP Cn1cc2c(n1)[C@H](C[NH2+][C@H]1CCNC3(C[NH2+]C3)C1)OCC2 ZINC001246164121 825644409 /nfs/dbraw/zinc/64/44/09/825644409.db2.gz LXIFNEASKLLBKM-STQMWFEESA-N 2 0 291.399 -0.283 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2COC3(C2)CC[NH2+]CC3)CN1 ZINC001246166437 825644541 /nfs/dbraw/zinc/64/45/41/825644541.db2.gz AEXKASPZAFKHQA-UTUOFQBUSA-N 2 0 283.372 -0.609 20 0 CBADRP COC(=O)C(C)(C)C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246176876 825645264 /nfs/dbraw/zinc/64/52/64/825645264.db2.gz YBJCBWCAIRCQSQ-JTQLQIEISA-N 2 0 255.362 -0.131 20 0 CBADRP NC(=O)c1ccccc1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246178026 825645609 /nfs/dbraw/zinc/64/56/09/825645609.db2.gz FARAXMYZJVLDMK-GFCCVEGCSA-N 2 0 274.368 -0.031 20 0 CBADRP O=C(C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)NC1CCCC1 ZINC001246181324 825646164 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COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CCN1 ZINC001246200141 825649426 /nfs/dbraw/zinc/64/94/26/825649426.db2.gz OQFGBGDNBBUSAJ-WOPDTQHZSA-N 2 0 255.362 -0.131 20 0 CBADRP CCOC(=O)[C@@H]1CNCC[C@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246201349 825649612 /nfs/dbraw/zinc/64/96/12/825649612.db2.gz PFWVOVMJAJAZPQ-JHJVBQTASA-N 2 0 296.415 -0.789 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CCNC(=O)N2CCOCC2)CC[NH2+]1 ZINC001246208086 825650275 /nfs/dbraw/zinc/65/02/75/825650275.db2.gz BMLLCICQNMZVAW-NWDGAFQWSA-N 2 0 270.377 -0.242 20 0 CBADRP COC(=O)[C@@H]1CC[C@H](NC(=[NH2+])SCC[NH3+])CN1 ZINC001246211479 825650636 /nfs/dbraw/zinc/65/06/36/825650636.db2.gz KBCJQOLWEMPQCO-YUMQZZPRSA-N 2 0 260.363 -0.504 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C)CN1 ZINC001246209395 825650845 /nfs/dbraw/zinc/65/08/45/825650845.db2.gz HSVUMCDMRIXNOO-BJDJZHNGSA-N 2 0 255.362 -0.132 20 0 CBADRP CC[C@]1(C(=O)OC)C[C@H](N[C@H]2C[NH2+]CC[C@H]2F)CN1 ZINC001246218451 825651722 /nfs/dbraw/zinc/65/17/22/825651722.db2.gz SYOLDLIJMIOLOS-SRRSOLGSSA-N 2 0 273.352 -0.040 20 0 CBADRP O=C1CC[C@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CN1 ZINC001246216973 825651781 /nfs/dbraw/zinc/65/17/81/825651781.db2.gz CRRIOGUTIMZXLG-GHMZBOCLSA-N 2 0 252.362 -0.804 20 0 CBADRP O=S1(=O)CCC(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246219481 825652061 /nfs/dbraw/zinc/65/20/61/825652061.db2.gz ZUYAUCQEPGYYHZ-GFCCVEGCSA-N 2 0 287.429 -0.505 20 0 CBADRP OCCOCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246215248 825652358 /nfs/dbraw/zinc/65/23/58/825652358.db2.gz WXRFXGDDUALOER-FUNVUKJBSA-N 2 0 258.362 -0.116 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](NC(=[NH2+])C2CC[NH2+]CC2)CN1 ZINC001246226567 825652980 /nfs/dbraw/zinc/65/29/80/825652980.db2.gz APCMGMAQFDHWLN-ZJUUUORDSA-N 2 0 254.334 -0.544 20 0 CBADRP CC(C)N1C[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246227640 825653106 /nfs/dbraw/zinc/65/31/06/825653106.db2.gz AXBXZVYIODBWBL-NEPJUHHUSA-N 2 0 266.389 -0.321 20 0 CBADRP C1OCC1N1CC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246225136 825653115 /nfs/dbraw/zinc/65/31/15/825653115.db2.gz AWMVDSFYLDUBKK-RYUDHWBXSA-N 2 0 266.389 -0.857 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C2CC[NH2+]CC2)CN1 ZINC001246232662 825654231 /nfs/dbraw/zinc/65/42/31/825654231.db2.gz XHIXRLVCUPKHRH-FRRDWIJNSA-N 2 0 285.388 -0.770 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C2CC[NH2+]CC2)CN1 ZINC001246232667 825654386 /nfs/dbraw/zinc/65/43/86/825654386.db2.gz XHIXRLVCUPKHRH-RWMBFGLXSA-N 2 0 285.388 -0.770 20 0 CBADRP CN1C(=O)CC[C@H]1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246229617 825654669 /nfs/dbraw/zinc/65/46/69/825654669.db2.gz KSZQTKSJHWIIIO-QWRGUYRKSA-N 2 0 252.362 -0.709 20 0 CBADRP CC[C@H](C)[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246242295 825655147 /nfs/dbraw/zinc/65/51/47/825655147.db2.gz DAJLAXLXTJFAOJ-DCAQKATOSA-N 2 0 254.378 -0.430 20 0 CBADRP c1nc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)c2n1CCC[NH2+]C2 ZINC001246245836 825655320 /nfs/dbraw/zinc/65/53/20/825655320.db2.gz AZLIPLJJSCECSX-GFCCVEGCSA-N 3 0 290.415 -0.440 20 0 CBADRP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246240669 825655914 /nfs/dbraw/zinc/65/59/14/825655914.db2.gz SXDJYLYTALBFBW-ZIAGYGMSSA-N 2 0 280.416 -0.072 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CCOC3(CC[NH2+]CC3)C2)CN1 ZINC001246256014 825656339 /nfs/dbraw/zinc/65/63/39/825656339.db2.gz MSFUFCSLPITSNC-AGIUHOORSA-N 2 0 297.399 -0.219 20 0 CBADRP COc1nccc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)n1 ZINC001246259350 825656417 /nfs/dbraw/zinc/65/64/17/825656417.db2.gz OBPYRLPJZHRXGQ-JTQLQIEISA-N 2 0 263.345 -0.331 20 0 CBADRP C1OCC1N1CCC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246259583 825656641 /nfs/dbraw/zinc/65/66/41/825656641.db2.gz INZKOMMOWQTLJX-ZDUSSCGKSA-N 2 0 280.416 -0.467 20 0 CBADRP CS(=O)(=O)C1(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCC1 ZINC001246253293 825656920 /nfs/dbraw/zinc/65/69/20/825656920.db2.gz CRPYWRRCKFWIIK-NSHDSACASA-N 2 0 287.429 -0.363 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H](C)C2CC[NH2+]CC2)CN1 ZINC001246253580 825657100 /nfs/dbraw/zinc/65/71/00/825657100.db2.gz VFIMQNKMEWZCKS-DLOVCJGASA-N 2 0 255.362 -0.132 20 0 CBADRP CN1CCOC[C@@H]1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246262636 825657478 /nfs/dbraw/zinc/65/74/78/825657478.db2.gz CYYBWSGJZGYFLR-NEPJUHHUSA-N 2 0 254.378 -0.999 20 0 CBADRP O=C1CCC[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CN1 ZINC001246260984 825657739 /nfs/dbraw/zinc/65/77/39/825657739.db2.gz CHQVAHMSFAEXPD-GHMZBOCLSA-N 2 0 252.362 -0.661 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CC23CC[NH+](CC2)CC3)CN1 ZINC001246262901 825658079 /nfs/dbraw/zinc/65/80/79/825658079.db2.gz JEPFPGFVGDDYMB-RYUDHWBXSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH+](C)CCCN(CCC[NH3+])[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246278046 825658938 /nfs/dbraw/zinc/65/89/38/825658938.db2.gz JGDMJUUWSWSIOE-AWEZNQCLSA-N 3 0 283.464 -0.317 20 0 CBADRP c1cnc(N2CC([NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)C2)nc1 ZINC001246276421 825659353 /nfs/dbraw/zinc/65/93/53/825659353.db2.gz CUTCQNGJTFBBRR-LLVKDONJSA-N 2 0 274.372 -0.651 20 0 CBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)O1 ZINC001246285181 825659462 /nfs/dbraw/zinc/65/94/62/825659462.db2.gz GMELZSAESHISGS-REWJHTLYSA-N 3 0 298.431 -0.605 20 0 CBADRP CNC(=O)[C@@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(C)(C)C ZINC001246294707 825660199 /nfs/dbraw/zinc/66/01/99/825660199.db2.gz HMRSPTXYULSZLT-WDEREUQCSA-N 2 0 268.405 -0.169 20 0 CBADRP COCCC[NH+]1CCC(N[C@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001246298309 825662239 /nfs/dbraw/zinc/66/22/39/825662239.db2.gz AGYUBWPRDHZNPF-JSGCOSHPSA-N 2 0 271.405 -0.343 20 0 CBADRP OC[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1ccncc1 ZINC001246310880 825663627 /nfs/dbraw/zinc/66/36/27/825663627.db2.gz OIQFZWVXRWIJCD-OLZOCXBDSA-N 2 0 262.357 -0.201 20 0 CBADRP COC(=O)CC1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCOCC1 ZINC001246325439 825664092 /nfs/dbraw/zinc/66/40/92/825664092.db2.gz JBZFSCJZJHTZIY-LBPRGKRZSA-N 2 0 297.399 -0.218 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](Nc2nccnc2C[NH3+])CN1 ZINC001246333421 825665469 /nfs/dbraw/zinc/66/54/69/825665469.db2.gz QFCSMOKIDVYLSN-SFYZADRCSA-N 2 0 251.290 -0.749 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CCN2CCS(=O)(=O)CC2)CC[NH2+]1 ZINC001246333280 825665600 /nfs/dbraw/zinc/66/56/00/825665600.db2.gz KSZLGWCCNSJQHD-NEPJUHHUSA-N 2 0 275.418 -0.553 20 0 CBADRP CCOC(=O)C1=C(N[C@@H]2CSC3(C[NH2+]C3)C2)C[NH2+]C1 ZINC001246346595 825667040 /nfs/dbraw/zinc/66/70/40/825667040.db2.gz BFGUJQBRRLNPPC-VIFPVBQESA-N 2 0 283.397 -0.156 20 0 CBADRP O=C([C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)C[NH2+]1)N1CCSC1 ZINC001246356279 825668682 /nfs/dbraw/zinc/66/86/82/825668682.db2.gz GCPZNRHOXFDMLH-UTUOFQBUSA-N 2 0 284.429 -0.409 20 0 CBADRP C(CO[C@H]1CC[NH2+]C1)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246364415 825668780 /nfs/dbraw/zinc/66/87/80/825668780.db2.gz BGNMSXGJYGRROB-NEPJUHHUSA-N 3 0 254.378 -0.952 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCO[C@@H]2CC[NH2+]C2)CN1 ZINC001246366443 825668875 /nfs/dbraw/zinc/66/88/75/825668875.db2.gz IYSOZLSDFOTWQU-TUAOUCFPSA-N 2 0 271.361 -0.752 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])N[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246399942 825670071 /nfs/dbraw/zinc/67/00/71/825670071.db2.gz BYRSAYOAMQPACQ-ZJUUUORDSA-N 2 0 273.402 -0.296 20 0 CBADRP [NH3+]C1CCN(CC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246403736 825670700 /nfs/dbraw/zinc/67/07/00/825670700.db2.gz HNDSPYPEYUVPQL-CYBMUJFWSA-N 3 0 267.421 -0.907 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C2CCN([C@@H]3CC[NH2+]C3)CC2)CN1 ZINC001246370704 825670856 /nfs/dbraw/zinc/67/08/56/825670856.db2.gz GEWDGHGHGJGOEW-MCIONIFRSA-N 2 0 296.415 -0.694 20 0 CBADRP COC(=O)CC[C@@H](C)[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246412319 825671671 /nfs/dbraw/zinc/67/16/71/825671671.db2.gz BACSOJQMFJDXEM-ZJUUUORDSA-N 2 0 259.350 -0.099 20 0 CBADRP [NH3+]CCNCC[NH2+][C@H]1CCN[C@@H](C(F)(F)F)C1 ZINC001246406256 825671857 /nfs/dbraw/zinc/67/18/57/825671857.db2.gz SLNUBVSCTYIWQR-DTWKUNHWSA-N 2 0 254.300 -0.193 20 0 CBADRP CC(=O)N1CCC([NH2+]CCCC[C@H]([NH3+])C(N)=O)CC1 ZINC001246414606 825671932 /nfs/dbraw/zinc/67/19/32/825671932.db2.gz IKNOKZKGACTVBW-LBPRGKRZSA-N 2 0 270.377 -0.430 20 0 CBADRP CC(=O)N1CCC[C@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)C1 ZINC001246416774 825672478 /nfs/dbraw/zinc/67/24/78/825672478.db2.gz LSXLDDKWENGDBF-RYUDHWBXSA-N 2 0 270.377 -0.430 20 0 CBADRP NC(=O)c1cncc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246452630 825673629 /nfs/dbraw/zinc/67/36/29/825673629.db2.gz KUJNKORYQOVHAE-GFCCVEGCSA-N 2 0 275.356 -0.636 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCCNCCC[NH3+])CN1 ZINC001246450180 825673766 /nfs/dbraw/zinc/67/37/66/825673766.db2.gz BZTRAOABMUDDQV-RYUDHWBXSA-N 2 0 272.393 -0.802 20 0 CBADRP COC(=O)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246445040 825674343 /nfs/dbraw/zinc/67/43/43/825674343.db2.gz FQBPMKRRGFIGND-UTUOFQBUSA-N 2 0 283.372 -0.752 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCC[NH2+]CCCC[NH3+])CCN1 ZINC001246457115 825675016 /nfs/dbraw/zinc/67/50/16/825675016.db2.gz NDBDGGQGVBYVND-STQMWFEESA-N 3 0 286.420 -0.412 20 0 CBADRP C[C@]1(CN[C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CCC[NH2+]1 ZINC001246457721 825675326 /nfs/dbraw/zinc/67/53/26/825675326.db2.gz SXGFOXJXLLKKFI-MBNYWOFBSA-N 2 0 298.456 -0.019 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3COC3)CC2)CN1 ZINC001246461381 825675383 /nfs/dbraw/zinc/67/53/83/825675383.db2.gz BEXWANQANBXBNA-OCCSQVGLSA-N 2 0 297.399 -0.410 20 0 CBADRP O[C@H](C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1ccncc1 ZINC001246464174 825675448 /nfs/dbraw/zinc/67/54/48/825675448.db2.gz GESJTRAUEZIZSR-CHWSQXEVSA-N 2 0 262.357 -0.201 20 0 CBADRP OC[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1cccnc1 ZINC001246475158 825676385 /nfs/dbraw/zinc/67/63/85/825676385.db2.gz SAHHNXYASAQAEK-STQMWFEESA-N 2 0 262.357 -0.201 20 0 CBADRP [NH3+]CCCCN1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246477995 825676417 /nfs/dbraw/zinc/67/64/17/825676417.db2.gz LDYPIZPMNYLNOQ-CQSZACIVSA-N 3 0 281.448 -0.563 20 0 CBADRP COC[C@@H]1C[C@@H](N[C@H]2CCNC3(C[NH2+]C3)C2)C[NH2+]1 ZINC001246468308 825676594 /nfs/dbraw/zinc/67/65/94/825676594.db2.gz WXKNIZZBBLFVGO-TUAOUCFPSA-N 2 0 254.378 -0.953 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)CN1 ZINC001246479092 825676708 /nfs/dbraw/zinc/67/67/08/825676708.db2.gz SANDIVGJOOYQHI-NWBUJAPZSA-N 2 0 265.357 -0.356 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246510018 825678685 /nfs/dbraw/zinc/67/86/85/825678685.db2.gz BIMZUWHIGMURQQ-NEPJUHHUSA-N 3 0 284.404 -0.659 20 0 CBADRP c1c(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)nn2c1OCCC2 ZINC001246512172 825678794 /nfs/dbraw/zinc/67/87/94/825678794.db2.gz AXNNIKMTMADGJI-NSHDSACASA-N 2 0 277.372 -0.151 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[NH2+]CC1 ZINC001246512030 825678803 /nfs/dbraw/zinc/67/88/03/825678803.db2.gz KTKNPQHWQWGMPP-NEPJUHHUSA-N 3 0 256.394 -0.038 20 0 CBADRP COCC[NH+](CCOC)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246519966 825680105 /nfs/dbraw/zinc/68/01/05/825680105.db2.gz FSKBAUWTDKWOHV-GFCCVEGCSA-N 2 0 257.378 -0.325 20 0 CBADRP [NH3+]CCCC[C@H]([NH2+][C@H]1CCNC(=O)C1)C(=O)N1CCCC1 ZINC001246520297 825680195 /nfs/dbraw/zinc/68/01/95/825680195.db2.gz PTVYRPOKBRMTKR-STQMWFEESA-N 2 0 296.415 -0.025 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246521153 825680298 /nfs/dbraw/zinc/68/02/98/825680298.db2.gz WVFPQIRUSNQFOO-GHMZBOCLSA-N 2 0 252.362 -0.722 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246521154 825680465 /nfs/dbraw/zinc/68/04/65/825680465.db2.gz WVFPQIRUSNQFOO-MNOVXSKESA-N 2 0 252.362 -0.722 20 0 CBADRP C[C@H]1CC[C@H](n2cnc(C[C@H]([NH3+])C(N)=O)c2)C[NH2+]1 ZINC001246526627 825681508 /nfs/dbraw/zinc/68/15/08/825681508.db2.gz VXBFYLNKVPITNY-LSJOCFKGSA-N 2 0 251.334 -0.449 20 0 CBADRP C1OCC1N1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246533131 825681832 /nfs/dbraw/zinc/68/18/32/825681832.db2.gz BZMOVVBTLXAYES-LBPRGKRZSA-N 2 0 266.389 -0.903 20 0 CBADRP C[C@H]1CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@H]1C[NH3+] ZINC001246543069 825682609 /nfs/dbraw/zinc/68/26/09/825682609.db2.gz SGKDOTSPSGWEOA-LOWDOPEQSA-N 2 0 298.456 -0.224 20 0 CBADRP [NH3+]C[C@]1(O)CCC[N@@H+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC001246543926 825682749 /nfs/dbraw/zinc/68/27/49/825682749.db2.gz OWVAPSXARPMYQZ-QWRGUYRKSA-N 2 0 262.375 -0.651 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)CN1 ZINC001246544742 825682838 /nfs/dbraw/zinc/68/28/38/825682838.db2.gz SLVZVVUNDJHASJ-IPYPFGDCSA-N 2 0 299.415 -0.154 20 0 CBADRP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)CCN1 ZINC001246541928 825683350 /nfs/dbraw/zinc/68/33/50/825683350.db2.gz HTDUVPMAFHLNBV-KCQAQPDRSA-N 2 0 299.415 -0.154 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)CN1 ZINC001246544449 825683412 /nfs/dbraw/zinc/68/34/12/825683412.db2.gz WCDXANIOMUNCEI-NGDQXYMTSA-N 2 0 253.346 -0.584 20 0 CBADRP COC(=O)[C@]1(F)CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246548530 825684088 /nfs/dbraw/zinc/68/40/88/825684088.db2.gz IZOCEUWXAORKHV-GWCFXTLKSA-N 2 0 271.336 -0.333 20 0 CBADRP C[C@@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1C[NH3+] ZINC001246551961 825684334 /nfs/dbraw/zinc/68/43/34/825684334.db2.gz MVBAHGDNOZVYEP-UPJWGTAASA-N 3 0 252.406 -0.003 20 0 CBADRP [NH3+]C[C@]1(O)CCCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246557444 825684419 /nfs/dbraw/zinc/68/44/19/825684419.db2.gz INEBBMLQPDSPFG-TZMCWYRMSA-N 3 0 268.405 -0.744 20 0 CBADRP CS(=O)(=O)N(C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001246550400 825684504 /nfs/dbraw/zinc/68/45/04/825684504.db2.gz PKJBVGBSAABHAB-UHFFFAOYSA-N 2 0 261.391 -0.248 20 0 CBADRP C[N@H+](C[C@H]1CNCCO1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246556059 825684724 /nfs/dbraw/zinc/68/47/24/825684724.db2.gz HMNUAIAFLQOQCM-VXGBXAGGSA-N 2 0 254.378 -0.999 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)CCN1 ZINC001246565681 825686451 /nfs/dbraw/zinc/68/64/51/825686451.db2.gz ZJHJYWNUPPWYJK-IPYPFGDCSA-N 2 0 299.415 -0.154 20 0 CBADRP C[C@@H]1CCN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@@H]1[NH3+] ZINC001246563909 825686475 /nfs/dbraw/zinc/68/64/75/825686475.db2.gz CHDZFROUZPEOSO-NDBYEHHHSA-N 2 0 298.456 -0.081 20 0 CBADRP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)CCN1 ZINC001246565685 825686644 /nfs/dbraw/zinc/68/66/44/825686644.db2.gz ZJHJYWNUPPWYJK-YDHLFZDLSA-N 2 0 299.415 -0.154 20 0 CBADRP [NH3+]C[C@@]1(O)CCCC[N@@H+](C2C[C@@H]3COC[C@H](C2)N3)C1 ZINC001246558986 825686894 /nfs/dbraw/zinc/68/68/94/825686894.db2.gz MSASVPVIBUZAFJ-PIGZVRMJSA-N 2 0 269.389 -0.319 20 0 CBADRP [NH3+][C@@H]1CN(C2CCC3(CC2)C[NH2+]CCO3)CC[C@H]1O ZINC001246568314 825687152 /nfs/dbraw/zinc/68/71/52/825687152.db2.gz QTAQPSUJNOBZPO-CEUNDQEZSA-N 2 0 269.389 -0.319 20 0 CBADRP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCN3C(=O)CC[C@H]3C2)C[C@H]1O ZINC001246569639 825687695 /nfs/dbraw/zinc/68/76/95/825687695.db2.gz RGZRSWAFOPZGIR-NNYUYHANSA-N 2 0 253.346 -0.466 20 0 CBADRP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCN3C(=O)CC[C@H]3C2)C[C@H]1O ZINC001246569640 825687711 /nfs/dbraw/zinc/68/77/11/825687711.db2.gz RGZRSWAFOPZGIR-WRWGMCAJSA-N 2 0 253.346 -0.466 20 0 CBADRP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCN(C3CC3)C(=O)C2)C[C@H]1O ZINC001246569001 825688094 /nfs/dbraw/zinc/68/80/94/825688094.db2.gz PFVAJTHCYPLBRK-QJPTWQEYSA-N 2 0 253.346 -0.466 20 0 CBADRP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCN3C(=O)CC[C@@H]3C2)C[C@H]1O ZINC001246569637 825688195 /nfs/dbraw/zinc/68/81/95/825688195.db2.gz RGZRSWAFOPZGIR-IRCOFANPSA-N 2 0 253.346 -0.466 20 0 CBADRP COC(=O)[C@@H]1CCC[C@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246578114 825688587 /nfs/dbraw/zinc/68/85/87/825688587.db2.gz FXGPQPKVVPCEOM-NOOOWODRSA-N 2 0 256.346 -0.030 20 0 CBADRP O[C@@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1F ZINC001246575915 825688885 /nfs/dbraw/zinc/68/88/85/825688885.db2.gz LOTIRDCEFSEJBV-SDDRHHMPSA-N 2 0 257.353 -0.125 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCN[C@H](C(F)(F)F)C2)C[C@@H]1O ZINC001246582534 825691066 /nfs/dbraw/zinc/69/10/66/825691066.db2.gz GWDRFIFFBDSFBG-JXUBOQSCSA-N 2 0 267.295 -0.079 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCC[C@H](n3ncnn3)C2)C[C@H]1O ZINC001246580771 825691105 /nfs/dbraw/zinc/69/11/05/825691105.db2.gz OVOADNQPNRZOBA-WHOHXGKFSA-N 2 0 266.349 -0.592 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCN3C(=O)CC[C@H]3C2)C[C@@H]1O ZINC001246583169 825691126 /nfs/dbraw/zinc/69/11/26/825691126.db2.gz ILHKFOFJUJUYTE-USZNOCQGSA-N 2 0 253.346 -0.609 20 0 CBADRP COC(=O)N1CCC([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246583203 825691216 /nfs/dbraw/zinc/69/12/16/825691216.db2.gz IPYRGGNADSJJKM-ONGXEEELSA-N 2 0 257.334 -0.531 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+](C2CCC3(CC2)C[NH2+]CCO3)C[C@H]1O ZINC001246583592 825691230 /nfs/dbraw/zinc/69/12/30/825691230.db2.gz JWQKBSDQXHRNJC-RJZJGCCBSA-N 3 0 269.389 -0.461 20 0 CBADRP C[C@]1(CO)C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC[C@H]1O ZINC001246593177 825692061 /nfs/dbraw/zinc/69/20/61/825692061.db2.gz RNDQGSMUMOSJAP-YNEHKIRRSA-N 2 0 269.389 -0.854 20 0 CBADRP COC[C@H]1C[NH2+]CCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246590936 825692755 /nfs/dbraw/zinc/69/27/55/825692755.db2.gz BGBMHLPZRMNCJU-NWDGAFQWSA-N 2 0 254.378 -0.999 20 0 CBADRP COC(=O)N1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246596461 825692837 /nfs/dbraw/zinc/69/28/37/825692837.db2.gz QQLTXPVDTFVITM-LBPRGKRZSA-N 2 0 282.388 -0.146 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH+]1CCC3(CC1)C[NH2+]CCO3)CCN2 ZINC001246605340 825693873 /nfs/dbraw/zinc/69/38/73/825693873.db2.gz UAULRPNDNOIAFF-ZDUSSCGKSA-N 3 0 280.416 -0.465 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246600685 825694346 /nfs/dbraw/zinc/69/43/46/825694346.db2.gz RJMDHZRTZONOAK-WOPDTQHZSA-N 2 0 255.362 -0.036 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)CCN1 ZINC001246600332 825694518 /nfs/dbraw/zinc/69/45/18/825694518.db2.gz GCSHMTXYVPFNAW-OLZOCXBDSA-N 2 0 296.415 -0.693 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCOCC3(CC[NH2+]CC3)C2)CN1 ZINC001246616346 825695596 /nfs/dbraw/zinc/69/55/96/825695596.db2.gz VUDWCPJLBNCQAQ-STQMWFEESA-N 2 0 297.399 -0.408 20 0 CBADRP C1CO[C@@]2(C[NH2+]1)COCCN(C1CC[NH2+]CC1)C2 ZINC001246607952 825695606 /nfs/dbraw/zinc/69/56/06/825695606.db2.gz UVMKNUYWQYSECZ-CYBMUJFWSA-N 2 0 255.362 -0.571 20 0 CBADRP O[C@H]1COC2(C1)CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246612132 825695631 /nfs/dbraw/zinc/69/56/31/825695631.db2.gz FPMRQLQQECQTFO-CHWSQXEVSA-N 2 0 281.400 -0.304 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCN[C@H]3CC[NH2+]CC[C@@H]31)CCO2 ZINC001246618035 825695934 /nfs/dbraw/zinc/69/59/34/825695934.db2.gz JMKBWNDYGRQWSN-RDBSUJKOSA-N 3 0 280.416 -0.467 20 0 CBADRP C[C@@H]1C[C@@H](N2CC(=O)NC[C@@]23CC[NH2+]C3)CC[NH2+]1 ZINC001246622330 825696448 /nfs/dbraw/zinc/69/64/48/825696448.db2.gz QMFMOPJTCDKLJS-MDZLAQPJSA-N 2 0 252.362 -0.709 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CCNC[C@]13CC[NH2+]C3)CS2 ZINC001246620901 825697153 /nfs/dbraw/zinc/69/71/53/825697153.db2.gz BOPOXJHNMJUUAG-VXGBXAGGSA-N 2 0 268.430 -0.529 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CC[NH2+]C[C@]3(CCCCN3)C1)CCN2 ZINC001246631890 825698206 /nfs/dbraw/zinc/69/82/06/825698206.db2.gz UTLVAMGJLMLGMB-LSDHHAIUSA-N 2 0 293.459 -0.502 20 0 CBADRP C[C@@H]1CC[C@H](N2CCO[C@@]3(C2)C[NH2+]CCOC3)C[NH2+]1 ZINC001246627475 825698359 /nfs/dbraw/zinc/69/83/59/825698359.db2.gz KEZPJWMVJOEHJD-HZSPNIEDSA-N 2 0 269.389 -0.182 20 0 CBADRP C1CC[C@]2(C[NH2+]CCN(C3C[C@@H]4COC[C@H](C3)[NH2+]4)C2)NC1 ZINC001246631362 825698404 /nfs/dbraw/zinc/69/84/04/825698404.db2.gz RZSWHBHXRFIMJH-VFSICIBPSA-N 2 0 294.443 -0.077 20 0 CBADRP C[C@@H]1CC[C@H](N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)C[NH2+]1 ZINC001246628764 825698491 /nfs/dbraw/zinc/69/84/91/825698491.db2.gz OTJQJWPNDAJELW-XUJVJEKNSA-N 2 0 278.400 -0.462 20 0 CBADRP C[C@@H]1CC[C@@H](N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)C[NH2+]1 ZINC001246628751 825698516 /nfs/dbraw/zinc/69/85/16/825698516.db2.gz OTJQJWPNDAJELW-LALPHHSUSA-N 2 0 278.400 -0.462 20 0 CBADRP C1C[C@@]2(C[NH2+]1)C[N@@H+]([C@@H]1C[C@H]3C[NH2+]C[C@H]3C1)CCN2 ZINC001246641206 825700342 /nfs/dbraw/zinc/70/03/42/825700342.db2.gz HWQCZUWBNUXQAC-ZOBORPQBSA-N 3 0 250.390 -0.378 20 0 CBADRP O=C1C[C@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CCN1C1CC1 ZINC001246643745 825700692 /nfs/dbraw/zinc/70/06/92/825700692.db2.gz PWZUYFDHHJSMMB-UKRRQHHQSA-N 2 0 278.400 -0.223 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH+]2CCC3(CC[NH2+]C3)CC2)CN1 ZINC001246642771 825700838 /nfs/dbraw/zinc/70/08/38/825700838.db2.gz OZMNGUGHSGPRGQ-NEPJUHHUSA-N 2 0 267.373 -0.035 20 0 CBADRP C1C[C@@]2(C[NH2+]1)CN(C1C[C@@H]3COC[C@H](C1)[NH2+]3)CCN2 ZINC001246644272 825701137 /nfs/dbraw/zinc/70/11/37/825701137.db2.gz RQJCPSRFLZAGAS-QNMSZWNNSA-N 2 0 266.389 -0.857 20 0 CBADRP C1C[C@@]2(C[NH2+]1)C[N@@H+](C1CCC3(CC1)C[NH2+]CCO3)CCN2 ZINC001246645017 825701514 /nfs/dbraw/zinc/70/15/14/825701514.db2.gz SMTFEISSZFYZLI-HWOWSKLDSA-N 3 0 294.443 -0.075 20 0 CBADRP O=C1CCC[C@]2(C[NH2+]CCN([C@H]3CCC[NH2+]C3)C2)N1 ZINC001246650476 825702503 /nfs/dbraw/zinc/70/25/03/825702503.db2.gz IPJLSLYVZQSMNX-GXTWGEPZSA-N 2 0 266.389 -0.318 20 0 CBADRP O=C1NCC[C@@]12CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246668815 825705306 /nfs/dbraw/zinc/70/53/06/825705306.db2.gz OPPYHGQGKGOOFB-AAEUAGOBSA-N 2 0 264.373 -0.708 20 0 CBADRP O=C(C1CC[NH+](C2CC[NH2+]CC2)CC1)N1CC[NH2+]CC1 ZINC001246677050 825705872 /nfs/dbraw/zinc/70/58/72/825705872.db2.gz UNGKCEFRIRTPFF-UHFFFAOYSA-N 3 0 280.416 -0.118 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@H](C3C[NH2+]C3)C2)CN1 ZINC001246681002 825706803 /nfs/dbraw/zinc/70/68/03/825706803.db2.gz ZABFCWGYAYHADQ-DRZSPHRISA-N 2 0 267.373 -0.179 20 0 CBADRP C([C@H]1CCCO1)N1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246778671 825710773 /nfs/dbraw/zinc/71/07/73/825710773.db2.gz WPTVDTJGYDYYJJ-LSDHHAIUSA-N 2 0 294.443 -0.123 20 0 CBADRP C1[NH2+]CC12CCC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246789694 825711042 /nfs/dbraw/zinc/71/10/42/825711042.db2.gz FEBSXAVRJWNWJB-GFCCVEGCSA-N 3 0 250.390 -0.234 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246792595 825712274 /nfs/dbraw/zinc/71/22/74/825712274.db2.gz AIQXESOVBLILTE-OLZOCXBDSA-N 2 0 280.416 -0.119 20 0 CBADRP Cn1cc2c(n1)CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246801849 825713084 /nfs/dbraw/zinc/71/30/84/825713084.db2.gz HHNGCTOIIZNJTB-LBPRGKRZSA-N 2 0 261.373 -0.128 20 0 CBADRP COC(=O)C[C@@H]1C[NH2+]CCN1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246812926 825714124 /nfs/dbraw/zinc/71/41/24/825714124.db2.gz FQRYNUYVMOOSHH-SDDRHHMPSA-N 2 0 255.362 -0.036 20 0 CBADRP COCCCN1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246817868 825714203 /nfs/dbraw/zinc/71/42/03/825714203.db2.gz NNVIDZCBHOHEGM-AWEZNQCLSA-N 2 0 282.432 -0.266 20 0 CBADRP COC(=O)C[C@H]1C[NH2+]CCN1[C@H]1CCCC[NH2+]C1 ZINC001246812428 825714837 /nfs/dbraw/zinc/71/48/37/825714837.db2.gz CXTDOLYBSDPDNS-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP CCOC(=O)[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246814169 825715314 /nfs/dbraw/zinc/71/53/14/825715314.db2.gz ODHDAIDJBXHFBR-RYUDHWBXSA-N 2 0 283.372 -0.656 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](N2CC([N@H+](C)[C@H]3CCOC3)C2)CN1 ZINC001246819791 825715847 /nfs/dbraw/zinc/71/58/47/825715847.db2.gz JSLAAOIWDRGQCF-LOWVWBTDSA-N 2 0 283.372 -0.705 20 0 CBADRP CCOCC[C@@H](C)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246819766 825715958 /nfs/dbraw/zinc/71/59/58/825715958.db2.gz IJNXALVLAYWECW-CQSZACIVSA-N 2 0 272.437 -0.114 20 0 CBADRP C[C@H]1C[C@@H]([NH+]2CCNCC[NH2+]CCNCC2)CCO1 ZINC001246822891 825717073 /nfs/dbraw/zinc/71/70/73/825717073.db2.gz TVUJURUXNQIBNU-KBPBESRZSA-N 2 0 270.421 -0.362 20 0 CBADRP O[C@H]1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1(F)F ZINC001246826013 825718033 /nfs/dbraw/zinc/71/80/33/825718033.db2.gz ZQRHJJBGCXVKSH-UWVGGRQHSA-N 2 0 261.316 -0.218 20 0 CBADRP CC(C)[C@@H]1C[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)CC[NH2+]1 ZINC001246823786 825718157 /nfs/dbraw/zinc/71/81/57/825718157.db2.gz WOKXEIZPYILJLO-CVEARBPZSA-N 3 0 297.491 -0.153 20 0 CBADRP COCC[N@H+](C1CC[NH2+]CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246837131 825718922 /nfs/dbraw/zinc/71/89/22/825718922.db2.gz QOEWWONLRRQNCT-AWEZNQCLSA-N 3 0 282.432 -0.219 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CC3(C1)CCCC[NH2+]3)CCN2 ZINC001246832054 825718989 /nfs/dbraw/zinc/71/89/89/825718989.db2.gz HIQWPUOJOOHNOA-GFCCVEGCSA-N 2 0 250.390 -0.092 20 0 CBADRP O=C1OCCN1C1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246840519 825720858 /nfs/dbraw/zinc/72/08/58/825720858.db2.gz HDYXRIHYCGLWOB-ZDUSSCGKSA-N 2 0 294.399 -0.003 20 0 CBADRP CN(C)C(=O)CC[N@H+](C)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246843765 825721617 /nfs/dbraw/zinc/72/16/17/825721617.db2.gz WCBIIQLBEGTQDD-NSHDSACASA-N 2 0 254.378 -0.510 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246857582 825722257 /nfs/dbraw/zinc/72/22/57/825722257.db2.gz QJSXTVDUWYURII-MNOVXSKESA-N 2 0 255.362 -0.036 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246856938 825722602 /nfs/dbraw/zinc/72/26/02/825722602.db2.gz JVVDFIOFNRCNIX-QCNOEVLYSA-N 2 0 253.346 -0.284 20 0 CBADRP [NH3+][C@]12CC[C@H]1CN([C@H]1C[NH2+][C@H](C(=O)N3CCSC3)C1)C2 ZINC001246854597 825722808 /nfs/dbraw/zinc/72/28/08/825722808.db2.gz QHQXNKWAYZPKHT-OPDFLTKYSA-N 2 0 296.440 -0.327 20 0 CBADRP [NH3+][C@]12C[C@H]1CN([C@H]1C[NH2+][C@H](C(=O)N3CCSC3)C1)C2 ZINC001246864803 825723996 /nfs/dbraw/zinc/72/39/96/825723996.db2.gz ATRQZCXVIJEUIZ-NOHGZBONSA-N 2 0 282.413 -0.717 20 0 CBADRP CCOC(=O)[C@]12C[N@@H+]([C@@H]3CCNC(=O)C3)C[C@H]1C[NH2+]CC2 ZINC001246859463 825724019 /nfs/dbraw/zinc/72/40/19/825724019.db2.gz PBXCDRHJPKKTRH-LALPHHSUSA-N 2 0 295.383 -0.260 20 0 CBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@H]3CNC(=O)C3)C[C@H]1C2 ZINC001246859679 825724303 /nfs/dbraw/zinc/72/43/03/825724303.db2.gz QLRJVTGRIWGIQM-OVKLUEDNSA-N 2 0 293.367 -0.795 20 0 CBADRP C[C@H]1C[C@@H]([NH+]2CCC3(CC2)NC(=O)NC3=O)CC[NH2+]1 ZINC001246866122 825725202 /nfs/dbraw/zinc/72/52/02/825725202.db2.gz ZSSJIHLDIBBTDI-UWVGGRQHSA-N 2 0 266.345 -0.199 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1C[C@H]3CC[C@@H](C1)[NH2+]C3)CCN2 ZINC001246866360 825725820 /nfs/dbraw/zinc/72/58/20/825725820.db2.gz JNGIMFPXKJNWQF-AVGNSLFASA-N 2 0 250.390 -0.236 20 0 CBADRP C[C@@H]1C[C@@H]([NH+]2CCC3(CC2)NC(=O)NC3=O)CC[NH2+]1 ZINC001246866124 825726208 /nfs/dbraw/zinc/72/62/08/825726208.db2.gz ZSSJIHLDIBBTDI-ZJUUUORDSA-N 2 0 266.345 -0.199 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)CN1 ZINC001246869154 825726360 /nfs/dbraw/zinc/72/63/60/825726360.db2.gz FKKMONKEHTVIDD-OLZOCXBDSA-N 2 0 284.404 -0.883 20 0 CBADRP CC(=O)N1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1C ZINC001246887180 825727771 /nfs/dbraw/zinc/72/77/71/825727771.db2.gz JQYXWCFVVGUOAE-WCQYABFASA-N 2 0 266.389 -0.367 20 0 CBADRP CCN1C[C@@H](C)[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246902670 825728363 /nfs/dbraw/zinc/72/83/63/825728363.db2.gz LSUYBEVZVGCTLO-NEPJUHHUSA-N 2 0 266.389 -0.367 20 0 CBADRP CNC(=O)N1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246894654 825728492 /nfs/dbraw/zinc/72/84/92/825728492.db2.gz ORYSVCNKOFXPBW-LLVKDONJSA-N 2 0 267.377 -0.963 20 0 CBADRP OC1([C@@H]2CCCC[NH2+]2)CN([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246900746 825729077 /nfs/dbraw/zinc/72/90/77/825729077.db2.gz TZERYZUSLYCXQS-OLZOCXBDSA-N 2 0 280.416 -0.731 20 0 CBADRP CC[C@]1(C(=O)OC)C[C@@H](N2C[C@@H]([NH3+])C[C@H]2C(=O)OC)CN1 ZINC001246909480 825729917 /nfs/dbraw/zinc/72/99/17/825729917.db2.gz XMAAMHCJAHWISN-BBGACYKPSA-N 2 0 299.371 -0.755 20 0 CBADRP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCCO1 ZINC001246912076 825730181 /nfs/dbraw/zinc/73/01/81/825730181.db2.gz QGDDKBWBSXKCHC-NEPJUHHUSA-N 2 0 283.372 -0.656 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246907107 825730368 /nfs/dbraw/zinc/73/03/68/825730368.db2.gz PQNYKJBFQLXKEB-GUBZILKMSA-N 2 0 271.386 -0.592 20 0 CBADRP C[C@H]1CC[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C[NH2+]1 ZINC001246922117 825731525 /nfs/dbraw/zinc/73/15/25/825731525.db2.gz VBQYDYJFHYNERM-STQMWFEESA-N 3 0 285.436 -0.757 20 0 CBADRP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246920354 825731571 /nfs/dbraw/zinc/73/15/71/825731571.db2.gz MXFQMPZZCUDPPJ-WDNDVIMCSA-N 4 0 297.447 -0.900 20 0 CBADRP COC(=O)[C@@H]1C[N@@H+]([C@H]2CCC3(C[NH2+]C3)C2)C[C@@H]1N ZINC001246929428 825732535 /nfs/dbraw/zinc/73/25/35/825732535.db2.gz CYDLIQQXFJBKEP-AXFHLTTASA-N 2 0 253.346 -0.439 20 0 CBADRP CC[C@@H]1C[C@H](N2C[C@H]([NH3+])[C@H](C(=O)OC)C2)CC[NH2+]1 ZINC001246929079 825732679 /nfs/dbraw/zinc/73/26/79/825732679.db2.gz CGQDYRCDDJJFGX-KKOKHZNYSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@@H]1CC(N(CCC[NH3+])CC(=O)NCCC[NH3+])C[C@@H](C)[NH2+]1 ZINC001246925089 825733105 /nfs/dbraw/zinc/73/31/05/825733105.db2.gz LDXWTQXOEMMENN-CHWSQXEVSA-N 3 0 299.463 -0.369 20 0 CBADRP COC(=O)[C@@H]1CN([C@H]2CSC3(C[NH2+]C3)C2)C[C@@H]1[NH3+] ZINC001246930022 825733192 /nfs/dbraw/zinc/73/31/92/825733192.db2.gz JPOAQLYPDRJQSD-BBBLOLIVSA-N 2 0 271.386 -0.734 20 0 CBADRP COCCN([C@H]1CC[NH2+]C1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246928572 825733199 /nfs/dbraw/zinc/73/31/99/825733199.db2.gz LXBCDMQLWZBFRR-OLZOCXBDSA-N 2 0 268.405 -0.609 20 0 CBADRP COC(=O)[C@@H]1CN(C2C[C@@H]3C=C[C@H](C2)[NH2+]3)C[C@H]1[NH3+] ZINC001246930481 825733262 /nfs/dbraw/zinc/73/32/62/825733262.db2.gz AYYDFRXWSPXHHV-FXVHWTKVSA-N 2 0 251.330 -0.523 20 0 CBADRP COC(=O)[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1[NH3+] ZINC001246931809 825734622 /nfs/dbraw/zinc/73/46/22/825734622.db2.gz OGVXKPZKBPNTBT-CFKCVQHJSA-N 2 0 253.346 -0.299 20 0 CBADRP COC(=O)[C@@H]1CN([C@@H]2CC[NH2+]C(C)(C)C2)C[C@@H]1[NH3+] ZINC001246932640 825734783 /nfs/dbraw/zinc/73/47/83/825734783.db2.gz QMIBLNRRUVVDBG-MXWKQRLJSA-N 2 0 255.362 -0.051 20 0 CBADRP COC(=O)[C@@H]1C[N@@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H]1N ZINC001246931344 825734796 /nfs/dbraw/zinc/73/47/96/825734796.db2.gz NVEAAGAXAUVHRS-ROHXPCBUSA-N 2 0 253.346 -0.584 20 0 CBADRP COCCC[NH+]1CCC(N2C[C@H]([NH3+])[C@H](C(=O)OC)C2)CC1 ZINC001246941506 825735669 /nfs/dbraw/zinc/73/56/69/825735669.db2.gz VWSFZBQUHFEJBV-KGLIPLIRSA-N 2 0 299.415 -0.081 20 0 CBADRP CN(C)C(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246958949 825735730 /nfs/dbraw/zinc/73/57/30/825735730.db2.gz CUXXJQQRAMFVFU-OLZOCXBDSA-N 2 0 295.431 -0.184 20 0 CBADRP COCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246954615 825736310 /nfs/dbraw/zinc/73/63/10/825736310.db2.gz LWVUROVUWHKGTK-CHWSQXEVSA-N 2 0 296.415 -0.693 20 0 CBADRP CN(C)C(=O)NC1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246960597 825738116 /nfs/dbraw/zinc/73/81/16/825738116.db2.gz WPDXSWIMVRHABB-ZDUSSCGKSA-N 2 0 295.431 -0.184 20 0 CBADRP C[C@@H]1CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@@H](C)[NH2+]1 ZINC001246968388 825738188 /nfs/dbraw/zinc/73/81/88/825738188.db2.gz MKADHEPHUSIKQL-LPWJVIDDSA-N 2 0 298.456 -0.068 20 0 CBADRP C[NH+](C)CCN([C@@H]1CNC(=O)C1)[C@H]1CCC[NH2+]C1 ZINC001246987573 825738694 /nfs/dbraw/zinc/73/86/94/825738694.db2.gz MPPSWQKUURQOOC-RYUDHWBXSA-N 2 0 254.378 -0.510 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN([C@@H]1CCC[NH2+]C1)CC2 ZINC001246984792 825738748 /nfs/dbraw/zinc/73/87/48/825738748.db2.gz GQTOXZPSMQKMBB-DYEKYZERSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH+](C)CCN(C1CC[NH2+]CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246990444 825739305 /nfs/dbraw/zinc/73/93/05/825739305.db2.gz VQRNSYMEAWJNKK-OAHLLOKOSA-N 3 0 295.475 -0.304 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C1CC[NH2+]CC1)CC2 ZINC001246987734 825739649 /nfs/dbraw/zinc/73/96/49/825739649.db2.gz MUKXIISZRSCEKN-JSGCOSHPSA-N 2 0 267.373 -0.035 20 0 CBADRP CN(CCN1CC[NH+](C)CC1)C(=S)NCC[NH+](C)C ZINC001249836476 825749387 /nfs/dbraw/zinc/74/93/87/825749387.db2.gz REIHWAYQEBUGPD-UHFFFAOYSA-N 2 0 287.477 -0.398 20 0 CBADRP C[NH+](C)CCNC(=S)NCC[NH+]1CCC(O)CC1 ZINC001249845748 825749784 /nfs/dbraw/zinc/74/97/84/825749784.db2.gz JHEXVHRZHZACHZ-UHFFFAOYSA-N 2 0 274.434 -0.531 20 0 CBADRP C[NH+]1CC2(C1)CC[NH+](C[C@@H](O)CN1CCOCC1)CC2 ZINC001251020323 825763713 /nfs/dbraw/zinc/76/37/13/825763713.db2.gz CVZUSDJPZSOLJW-CQSZACIVSA-N 2 0 283.416 -0.293 20 0 CBADRP OC[C@@H](O)C[NH2+]C1CC[NH+](CC2CCOCC2)CC1 ZINC001252072982 825829927 /nfs/dbraw/zinc/82/99/27/825829927.db2.gz KHMDWYMBCAQZLI-AWEZNQCLSA-N 2 0 272.389 -0.180 20 0 CBADRP COC(=O)[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001252419081 825847492 /nfs/dbraw/zinc/84/74/92/825847492.db2.gz FAYCKVNNOSDCQK-NSHDSACASA-N 2 0 256.346 -0.062 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC[NH+]2CC=CC2)CC1=O ZINC001252481126 825870819 /nfs/dbraw/zinc/87/08/19/825870819.db2.gz AFLDDPBREGEKIV-ZDUSSCGKSA-N 2 0 294.399 -0.616 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NCC[NH+]2CC=CC2)CC1=O ZINC001252481125 825871098 /nfs/dbraw/zinc/87/10/98/825871098.db2.gz AFLDDPBREGEKIV-CYBMUJFWSA-N 2 0 294.399 -0.616 20 0 CBADRP COC[C@@H](O)C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001252816431 825889755 /nfs/dbraw/zinc/88/97/55/825889755.db2.gz ACEHIUUUXQKZNR-LBPRGKRZSA-N 2 0 273.377 -0.910 20 0 CBADRP COC[C@@H](O)C[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001252833094 825892532 /nfs/dbraw/zinc/89/25/32/825892532.db2.gz PZSGUTUNBBTKJT-ZDUSSCGKSA-N 2 0 258.362 -0.306 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@]2(CCNC2=O)C1 ZINC001253182776 825902938 /nfs/dbraw/zinc/90/29/38/825902938.db2.gz TUZRQLSPHKXOCE-TZMCWYRMSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001253186223 825903303 /nfs/dbraw/zinc/90/33/03/825903303.db2.gz MPWPTIYHAJYKRK-UPJWGTAASA-N 2 0 269.389 -0.291 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+]CCCc1c[nH][nH]c1=O ZINC001253202919 825903706 /nfs/dbraw/zinc/90/37/06/825903706.db2.gz CDWULLHGTJGJKJ-NWDGAFQWSA-N 2 0 270.377 -0.209 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H]1CCN(C)C(=O)C1 ZINC001253202912 825904042 /nfs/dbraw/zinc/90/40/42/825904042.db2.gz CCXIWJOJESFVFF-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@H]1CCC(=O)N1C ZINC001253209125 825905694 /nfs/dbraw/zinc/90/56/94/825905694.db2.gz XXSGFEQWKFMJQT-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CNCC[N@@H+]1CCC[C@H](O)C1 ZINC001253209678 825905788 /nfs/dbraw/zinc/90/57/88/825905788.db2.gz GYMVVTFFSLJUET-KBPBESRZSA-N 2 0 273.421 -0.265 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@@H]1CCC(=O)NC1 ZINC001253206715 825905809 /nfs/dbraw/zinc/90/58/09/825905809.db2.gz RGQKSGMWGCNOPS-RYUDHWBXSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+]C1CC(CO)(CO)C1 ZINC001253205227 825905835 /nfs/dbraw/zinc/90/58/35/825905835.db2.gz APRIPNWHFWMBMX-GFCCVEGCSA-N 2 0 260.378 -0.588 20 0 CBADRP C[N@@H+]1CCCN(CCNC[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253406212 825913478 /nfs/dbraw/zinc/91/34/78/825913478.db2.gz CWXFWFMRERMMFU-AWEZNQCLSA-N 2 0 286.464 -0.038 20 0 CBADRP CN(C)C1(C[NH2+][C@@H]2CCS(=O)(=O)C2)CC[NH+](C)CC1 ZINC001254315397 825948675 /nfs/dbraw/zinc/94/86/75/825948675.db2.gz JFFRCJCPDCLAPU-GFCCVEGCSA-N 2 0 289.445 -0.211 20 0 CBADRP O=S1(=O)CC[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC001254319010 825951278 /nfs/dbraw/zinc/95/12/78/825951278.db2.gz RCQUKXRAILEDFP-GFCCVEGCSA-N 2 0 276.402 -0.533 20 0 CBADRP C[N@@H+]1CCC[C@H](N(C2C[NH2+]C2)S(C)(=O)=O)CC1 ZINC001254526191 825965927 /nfs/dbraw/zinc/96/59/27/825965927.db2.gz PMWSLBYGDMHPBD-JTQLQIEISA-N 2 0 261.391 -0.296 20 0 CBADRP C[N@@H+]1CCC[C@@H](NCCC[NH+](CCO)CCO)CC1 ZINC001254499166 825964438 /nfs/dbraw/zinc/96/44/38/825964438.db2.gz BLOZOSALWOVAHA-CQSZACIVSA-N 2 0 273.421 -0.263 20 0 CBADRP [NH3+]CCN(CC[NH2+][C@H]1CC2CCN(CC2)C1)N(O)N=O ZINC001254843017 825970117 /nfs/dbraw/zinc/97/01/17/825970117.db2.gz DKMLAHNYHCAIAP-LBPRGKRZSA-N 2 0 286.380 -0.391 20 0 CBADRP NC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CC3CC[NH+](CC3)C2)cn1 ZINC001254852104 825970652 /nfs/dbraw/zinc/97/06/52/825970652.db2.gz PCSZEBHVISGWOM-STQMWFEESA-N 2 0 277.372 -0.105 20 0 CBADRP COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@H]1CC[N@H+](C)C1 ZINC001255416286 825981554 /nfs/dbraw/zinc/98/15/54/825981554.db2.gz YBAIIDHBTCFHLG-UWVGGRQHSA-N 2 0 271.365 -0.915 20 0 CBADRP C[N@@H+]1CC[C@H](N2CCN(CCN3CCOCC3)CC2)C1 ZINC001255435750 825982764 /nfs/dbraw/zinc/98/27/64/825982764.db2.gz LOGVVJPEEOFHFS-HNNXBMFYSA-N 2 0 282.432 -0.360 20 0 CBADRP COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@H]1CCC[N@H+](C)C1 ZINC001255471387 825984201 /nfs/dbraw/zinc/98/42/01/825984201.db2.gz ZARLRSOGYUYTSK-QWRGUYRKSA-N 2 0 285.392 -0.525 20 0 CBADRP C[N@@H+]1CCC[C@H](n2cnc(C[C@H]([NH3+])C(N)=O)c2)C1 ZINC001255479676 825986298 /nfs/dbraw/zinc/98/62/98/825986298.db2.gz KRDUBZMYQCCBSZ-QWRGUYRKSA-N 2 0 251.334 -0.495 20 0 CBADRP CN1CCC[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C1 ZINC001255475632 825986418 /nfs/dbraw/zinc/98/64/18/825986418.db2.gz SLYVZQTUWSISDF-SNVBAGLBSA-N 2 0 260.342 -0.782 20 0 CBADRP CCOC(=O)N1CC[C@@H]([NH2+]C[C@@H](C[NH3+])C(=O)OC)C1 ZINC001256017264 825997680 /nfs/dbraw/zinc/99/76/80/825997680.db2.gz OUMVUIIXJJUPHV-NXEZZACHSA-N 2 0 273.333 -0.445 20 0 CBADRP CCOC(=O)N1CCC([NH2+]C[C@H](C[NH3+])C(=O)OC)CC1 ZINC001256232043 826005789 /nfs/dbraw/zinc/00/57/89/826005789.db2.gz IBTYBEFXJUCPOB-JTQLQIEISA-N 2 0 287.360 -0.055 20 0 CBADRP C[C@@H](CC(=O)N1CCOCC1)[NH2+]CCN1CC[NH+](C)CC1 ZINC001256319649 826007801 /nfs/dbraw/zinc/00/78/01/826007801.db2.gz YWVJLHOVXBTRTD-AWEZNQCLSA-N 2 0 298.431 -0.539 20 0 CBADRP C[C@H](CC(=O)N1CCOCC1)[NH+]1CCN(CC[NH3+])CC1 ZINC001256321921 826010037 /nfs/dbraw/zinc/01/00/37/826010037.db2.gz TXTOJBKNFCGSTB-CYBMUJFWSA-N 2 0 284.404 -0.800 20 0 CBADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC001257925015 826053610 /nfs/dbraw/zinc/05/36/10/826053610.db2.gz GEEOOPRFEOWGCH-WDEREUQCSA-N 2 0 294.417 -0.073 20 0 CBADRP CS(=O)(=O)N1CCC(NC(=[NH2+])NCCCC[NH3+])CC1 ZINC001257224520 826040884 /nfs/dbraw/zinc/04/08/84/826040884.db2.gz LGHNLISXZGKHBH-UHFFFAOYSA-N 2 0 291.421 -0.737 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001261436044 826511934 /nfs/dbraw/zinc/51/19/34/826511934.db2.gz NWOOGWXZXJUKFL-BZUAXINKSA-N 3 0 296.459 -0.189 20 0 CBADRP C[C@@H](CO)CCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001261436969 826512091 /nfs/dbraw/zinc/51/20/91/826512091.db2.gz QDLDPCASKWEBOO-ZIAGYGMSSA-N 2 0 273.421 -0.407 20 0 CBADRP C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1cn[nH]c1 ZINC001261436332 826512771 /nfs/dbraw/zinc/51/27/71/826512771.db2.gz YHXAQZMTSWIPET-WCQYABFASA-N 2 0 267.377 -0.331 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NCCC[NH+]1CCC(O)CC1 ZINC001261459552 826516876 /nfs/dbraw/zinc/51/68/76/826516876.db2.gz SLDJLSHAFVKAFB-LBPRGKRZSA-N 2 0 273.377 -0.687 20 0 CBADRP COCC1(C(=O)N2CC[C@H](C[NH3+])C2)CC[NH2+]CC1 ZINC001261460851 826518152 /nfs/dbraw/zinc/51/81/52/826518152.db2.gz QVBXDDLZTHULIX-LLVKDONJSA-N 2 0 255.362 -0.190 20 0 CBADRP CC[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)[C@@H](C)O ZINC001261482738 826521154 /nfs/dbraw/zinc/52/11/54/826521154.db2.gz XSKIYXBXKGYFCD-AGIUHOORSA-N 2 0 259.394 -0.656 20 0 CBADRP CC(C)(C[NH3+])NC(=O)c1cn(CCCC[NH3+])nn1 ZINC001261491868 826524080 /nfs/dbraw/zinc/52/40/80/826524080.db2.gz JCDPCQIKGBCRDV-UHFFFAOYSA-N 2 0 254.338 -0.516 20 0 CBADRP O=C(CN1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CC[NH2+]CC1 ZINC001261492785 826524567 /nfs/dbraw/zinc/52/45/67/826524567.db2.gz UTWXRQQKAGKSKU-VXGBXAGGSA-N 2 0 252.362 -0.898 20 0 CBADRP [NH3+]C[C@@H](NCC(=O)N1CC[NH2+]CC1)C1CCCCC1 ZINC001261492458 826524913 /nfs/dbraw/zinc/52/49/13/826524913.db2.gz FQAMTVRQTFFJPG-CYBMUJFWSA-N 2 0 268.405 -0.085 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001261634102 826549497 /nfs/dbraw/zinc/54/94/97/826549497.db2.gz YIWXMPFWFPJWAB-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N(C)CCC[NH3+])CC[N@@H+]1C ZINC001261644566 826554354 /nfs/dbraw/zinc/55/43/54/826554354.db2.gz FCLVYYNREQIFBG-NEPJUHHUSA-N 2 0 284.404 -0.265 20 0 CBADRP [NH3+]C[C@@H]1CCN(C(=O)NCC2([NH3+])CCOCC2)C1 ZINC001261817813 826585605 /nfs/dbraw/zinc/58/56/05/826585605.db2.gz CHCFGKQGOMZUJO-JTQLQIEISA-N 2 0 256.350 -0.516 20 0 CBADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC001261836709 826595248 /nfs/dbraw/zinc/59/52/48/826595248.db2.gz JTXNPKZKTTWNAS-DGAVXFQQSA-N 2 0 298.431 -0.332 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CCCO1 ZINC001262008493 826618396 /nfs/dbraw/zinc/61/83/96/826618396.db2.gz OJLKJFPZGDVMAG-GMTAPVOTSA-N 2 0 259.325 -0.490 20 0 CBADRP [NH3+]Cc1ncc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC001262008628 826618833 /nfs/dbraw/zinc/61/88/33/826618833.db2.gz SVONZTUUGAEXMK-SNVBAGLBSA-N 2 0 261.329 -0.193 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001262010831 826619360 /nfs/dbraw/zinc/61/93/60/826619360.db2.gz QAUGLFOGSWLZCM-LOWVWBTDSA-N 2 0 254.378 -0.334 20 0 CBADRP COC[C@]1(C(=O)NCc2cc(N)cc[nH+]2)CC[NH2+]C1 ZINC001262048310 826627550 /nfs/dbraw/zinc/62/75/50/826627550.db2.gz OQEYSLAKVUCESU-ZDUSSCGKSA-N 2 0 264.329 -0.094 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001262038990 826627738 /nfs/dbraw/zinc/62/77/38/826627738.db2.gz DYKWUDFUACJAPE-NOOOWODRSA-N 2 0 268.405 -0.232 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC[N@@H+]1C ZINC001262062093 826629489 /nfs/dbraw/zinc/62/94/89/826629489.db2.gz RIMFKFVBIUBFQL-IJLUTSLNSA-N 2 0 282.388 -0.465 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC001262075058 826633628 /nfs/dbraw/zinc/63/36/28/826633628.db2.gz IZTHIWSBDLGTEN-RWMBFGLXSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)(C)[NH2+]CC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC001262170947 826647632 /nfs/dbraw/zinc/64/76/32/826647632.db2.gz FHWXKFLQTPBNDS-LLVKDONJSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@H](CCCC[NH3+])[NH2+]Cc1nnc2n1CCNC2=O ZINC001262202210 826660689 /nfs/dbraw/zinc/66/06/89/826660689.db2.gz PUNXBHBWKXNQBI-SECBINFHSA-N 2 0 266.349 -0.371 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC[C@@H]1C[NH3+] ZINC001262541707 826702004 /nfs/dbraw/zinc/70/20/04/826702004.db2.gz DTXOMNXAYBNDSQ-NWDGAFQWSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC001262542363 826703133 /nfs/dbraw/zinc/70/31/33/826703133.db2.gz YNRZGXHYROGICC-RNJOBUHISA-N 2 0 296.415 -0.171 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001262548572 826705534 /nfs/dbraw/zinc/70/55/34/826705534.db2.gz XCUJUAOVTIHVTH-HAQNSBGRSA-N 2 0 296.415 -0.312 20 0 CBADRP [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)NCCCN1CC[NH2+]CC1 ZINC001262583964 826712721 /nfs/dbraw/zinc/71/27/21/826712721.db2.gz NAWHBPDTHSBQJY-ZFWWWQNUSA-N 2 0 295.431 -0.196 20 0 CBADRP CC[NH2+]CCNC(=O)NCCN1CCC([NH3+])CC1 ZINC001262584496 826713556 /nfs/dbraw/zinc/71/35/56/826713556.db2.gz DEJZFPHLMYXBCS-UHFFFAOYSA-N 2 0 257.382 -0.682 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC001262584404 826713627 /nfs/dbraw/zinc/71/36/27/826713627.db2.gz BBFHRIVSDNYRJQ-WCQYABFASA-N 2 0 270.377 -0.255 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCNCC[NH2+]CC1 ZINC001262588468 826715094 /nfs/dbraw/zinc/71/50/94/826715094.db2.gz HDNLRCVMSBLIOU-NWDGAFQWSA-N 2 0 269.393 -0.669 20 0 CBADRP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH2+]C[C@@H]1C ZINC001263061809 826731584 /nfs/dbraw/zinc/73/15/84/826731584.db2.gz BZPJKAQGEGNZNL-QJPTWQEYSA-N 2 0 252.362 -0.805 20 0 CBADRP C[C@]1(C(=O)NCCCC[NH+]2CCOCC2)C[C@H](O)C[NH2+]1 ZINC001263095127 826736845 /nfs/dbraw/zinc/73/68/45/826736845.db2.gz DLGKZWVONVFCAY-GXTWGEPZSA-N 2 0 285.388 -0.672 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC[N@@H+]1C ZINC001263100185 826737129 /nfs/dbraw/zinc/73/71/29/826737129.db2.gz HHTLNVCHKPJTJP-HNCHTBHHSA-N 2 0 255.362 -0.302 20 0 CBADRP C[C@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)[C@@H](C)C[NH2+]1 ZINC001263104748 826737805 /nfs/dbraw/zinc/73/78/05/826737805.db2.gz SAYUNSYJOMHHIZ-RYUDHWBXSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[NH+](CC)C[C@H]1CCN(C(=O)C[C@@H](O)C[NH3+])C1 ZINC001263101733 826738261 /nfs/dbraw/zinc/73/82/61/826738261.db2.gz AJPCWPJQOZVPGL-VXGBXAGGSA-N 2 0 257.378 -0.114 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)NC[C@@H]([NH3+])C2CC2)CCOCC1 ZINC001263104662 826738551 /nfs/dbraw/zinc/73/85/51/826738551.db2.gz OZXMIDXSRVMWOG-GXSJLCMTSA-N 2 0 255.362 -0.016 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001263104740 826738706 /nfs/dbraw/zinc/73/87/06/826738706.db2.gz RQKYGYIBWOJUGQ-SRVKXCTJSA-N 2 0 282.388 -0.621 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001263108745 826739107 /nfs/dbraw/zinc/73/91/07/826739107.db2.gz GCZDTBQKECAAMN-SGMGOOAPSA-N 2 0 267.373 -0.299 20 0 CBADRP [NH3+]CC1(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC(O)C1 ZINC001263108543 826739451 /nfs/dbraw/zinc/73/94/51/826739451.db2.gz ANQGBSYCDADVOL-RUETXSTFSA-N 2 0 253.346 -0.656 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001263108167 826739622 /nfs/dbraw/zinc/73/96/22/826739622.db2.gz PTJORDRHKUKMRF-FVCCEPFGSA-N 2 0 296.415 -0.314 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@H](CC[NH3+])C(F)F ZINC001263109638 826740840 /nfs/dbraw/zinc/74/08/40/826740840.db2.gz BTWONWCFNKCTIQ-PRJMDXOYSA-N 2 0 253.293 -0.699 20 0 CBADRP C[C@@H](CCC[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001263109151 826741007 /nfs/dbraw/zinc/74/10/07/826741007.db2.gz PVIAGTHEROPTCI-LOWVWBTDSA-N 2 0 255.362 -0.144 20 0 CBADRP O=C(NCC[C@H]1CSCC[NH2+]1)C12CC(C1)C[NH2+]2 ZINC001263134582 826742886 /nfs/dbraw/zinc/74/28/86/826742886.db2.gz XTMFEKRFNZOAOY-YZRBJQDESA-N 2 0 255.387 -0.050 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001263134346 826742986 /nfs/dbraw/zinc/74/29/86/826742986.db2.gz RMQRBUWSOZTAHM-NXEZZACHSA-N 2 0 261.391 -0.439 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001263132736 826743234 /nfs/dbraw/zinc/74/32/34/826743234.db2.gz ALORMHUHEJWUJM-WZRBSPASSA-N 2 0 255.362 -0.123 20 0 CBADRP C[C@H](CC(=O)NCC1(O)C[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001263153413 826744718 /nfs/dbraw/zinc/74/47/18/826744718.db2.gz LWMNTIIEZJLTNX-MNOVXSKESA-N 2 0 255.362 -0.537 20 0 CBADRP CC[C@]1(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001263156048 826744902 /nfs/dbraw/zinc/74/49/02/826744902.db2.gz LPKUVGFXWUSXHK-PWSUYJOCSA-N 2 0 253.346 -0.377 20 0 CBADRP O=C(CC1CC[NH2+]CC1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001263156179 826744950 /nfs/dbraw/zinc/74/49/50/826744950.db2.gz OXRYNZCPUISONT-LLVKDONJSA-N 2 0 253.346 -0.377 20 0 CBADRP O=C(CC1CC[NH2+]CC1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001263156180 826745458 /nfs/dbraw/zinc/74/54/58/826745458.db2.gz OXRYNZCPUISONT-NSHDSACASA-N 2 0 253.346 -0.377 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)C1 ZINC001263155871 826745490 /nfs/dbraw/zinc/74/54/90/826745490.db2.gz IEJOVRZMLNSISU-SCVCMEIPSA-N 2 0 269.345 -1.000 20 0 CBADRP C[C@H](CC(=O)NCC1(O)C[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001263153412 826745497 /nfs/dbraw/zinc/74/54/97/826745497.db2.gz LWMNTIIEZJLTNX-GHMZBOCLSA-N 2 0 255.362 -0.537 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001263161010 826746210 /nfs/dbraw/zinc/74/62/10/826746210.db2.gz UCIVQSRGQQJNFH-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)[NH+]1CCCCCC1 ZINC001263162827 826747164 /nfs/dbraw/zinc/74/71/64/826747164.db2.gz XUYYKCVTKAAYAP-UTUOFQBUSA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)C[NH2+]1 ZINC001263167146 826747272 /nfs/dbraw/zinc/74/72/72/826747272.db2.gz BTTAXNNKYCSEAB-FVCCEPFGSA-N 2 0 266.389 -0.369 20 0 CBADRP [NH3+]C1(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)CCCC1 ZINC001263168158 826747299 /nfs/dbraw/zinc/74/72/99/826747299.db2.gz FRIIJGZIRTWVAS-LLVKDONJSA-N 2 0 255.362 -0.169 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC001263163969 826747851 /nfs/dbraw/zinc/74/78/51/826747851.db2.gz HEFGGJWVRQQHKG-MRBYEJRBSA-N 2 0 255.362 -0.457 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)N(C)CCOCC[NH3+])CCOCC1 ZINC001263167270 826747892 /nfs/dbraw/zinc/74/78/92/826747892.db2.gz FZDFEAPZAGJZFG-LLVKDONJSA-N 2 0 273.377 -0.436 20 0 CBADRP C[C@@]1(NC(=O)C[NH+]2CCC(CO)CC2)CC[NH2+]C1 ZINC001263163366 826747897 /nfs/dbraw/zinc/74/78/97/826747897.db2.gz NOHCZKGERVUYMG-CYBMUJFWSA-N 2 0 255.362 -0.441 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001263174524 826749139 /nfs/dbraw/zinc/74/91/39/826749139.db2.gz BZSLXXUDJDSVLK-DCQANWLSSA-N 2 0 253.346 -0.534 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@]1(C)C[C@H](O)C[NH2+]1)C2 ZINC001263179271 826750407 /nfs/dbraw/zinc/75/04/07/826750407.db2.gz JGWZERGGFCMSBB-YRRQLQLVSA-N 2 0 253.346 -0.833 20 0 CBADRP CCN(C(=O)[C@H]([NH3+])CCC(=O)OC)[C@@H]1CC[NH2+]C1 ZINC001263184651 826751384 /nfs/dbraw/zinc/75/13/84/826751384.db2.gz ZRDOEOSWJCQART-NXEZZACHSA-N 2 0 257.334 -0.523 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C[C@H]1CC[NH3+] ZINC001263190191 826751921 /nfs/dbraw/zinc/75/19/21/826751921.db2.gz XVARVWPBCZVSHJ-UPJWGTAASA-N 2 0 296.415 -0.373 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)[C@]23C[C@H]2CCC[NH2+]3)CC1 ZINC001263191918 826753179 /nfs/dbraw/zinc/75/31/79/826753179.db2.gz GOEICDSSTILBOQ-RISCZKNCSA-N 2 0 266.389 -0.332 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC001263212472 826753940 /nfs/dbraw/zinc/75/39/40/826753940.db2.gz UFCLUJVHZBVIMJ-GXSJLCMTSA-N 2 0 277.315 -0.457 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC001263215665 826755221 /nfs/dbraw/zinc/75/52/21/826755221.db2.gz CINSSWWOVCFFCL-PRULPYPASA-N 2 0 255.362 -0.193 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001263214729 826755262 /nfs/dbraw/zinc/75/52/62/826755262.db2.gz UZXSRYFAUZPLSP-NWDGAFQWSA-N 2 0 282.388 -0.619 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001263216522 826755334 /nfs/dbraw/zinc/75/53/34/826755334.db2.gz PAJPRSSKSBJBTR-QJPTWQEYSA-N 2 0 253.346 -0.567 20 0 CBADRP CSCC[C@H]([NH3+])C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001263213103 826755495 /nfs/dbraw/zinc/75/54/95/826755495.db2.gz MFOAHYIQNDJHDY-GXSJLCMTSA-N 2 0 261.391 -0.621 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CCC[C@]12CC[NH2+]C2 ZINC001263259120 826759919 /nfs/dbraw/zinc/75/99/19/826759919.db2.gz NXQZAYSZGLPWMC-WCQYABFASA-N 2 0 253.346 -0.281 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[NH2+]CC1 ZINC001263262146 826760021 /nfs/dbraw/zinc/76/00/21/826760021.db2.gz ZAIIOGKPNLRWTB-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@H]1CCC[NH2+]CC1 ZINC001263262147 826760293 /nfs/dbraw/zinc/76/02/93/826760293.db2.gz ZAIIOGKPNLRWTB-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2C[C@@H]([NH3+])C23CCC3)C[C@H](O)C[NH2+]1 ZINC001263264019 826760540 /nfs/dbraw/zinc/76/05/40/826760540.db2.gz BCBKYBFMYQTYJN-BTQIBKBOSA-N 2 0 253.346 -0.515 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@@H](CO)C1 ZINC001263306085 826762835 /nfs/dbraw/zinc/76/28/35/826762835.db2.gz PIXYNTDPMITOCO-DYEKYZERSA-N 2 0 267.373 -0.489 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@H](CO)C1 ZINC001263306087 826762933 /nfs/dbraw/zinc/76/29/33/826762933.db2.gz PIXYNTDPMITOCO-OBJOEFQTSA-N 2 0 267.373 -0.489 20 0 CBADRP [NH3+]CC1(C(=O)NC[C@H]2CCC[NH2+]CC2)CC(O)C1 ZINC001263323014 826764180 /nfs/dbraw/zinc/76/41/80/826764180.db2.gz CXTJKUAFNCCUBU-ZBOXLXRLSA-N 2 0 255.362 -0.408 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001263851753 826785200 /nfs/dbraw/zinc/78/52/00/826785200.db2.gz UIQZMBJEXMIXFE-TXEJJXNPSA-N 2 0 257.378 -0.197 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001263879590 826787778 /nfs/dbraw/zinc/78/77/78/826787778.db2.gz NYCHEXHTNREDLD-ZDUSSCGKSA-N 2 0 257.378 -0.148 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCOCCO)C1 ZINC001264387156 826804530 /nfs/dbraw/zinc/80/45/30/826804530.db2.gz FEVLEVUIXJCMDB-HZSPNIEDSA-N 2 0 299.415 -0.426 20 0 CBADRP CN(C)C(=O)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001264970405 826824072 /nfs/dbraw/zinc/82/40/72/826824072.db2.gz MBMQJGNZFMLFBE-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCO)C1 ZINC001265235943 826859214 /nfs/dbraw/zinc/85/92/14/826859214.db2.gz ZJGVBXRJAUFPDD-LBPRGKRZSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@H]([NH2+]CCO)C2CC2)CC1 ZINC001265370172 826885546 /nfs/dbraw/zinc/88/55/46/826885546.db2.gz LQBCEZLQRHZCNJ-ZDUSSCGKSA-N 2 0 269.389 -0.195 20 0 CBADRP COCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001265458317 826894809 /nfs/dbraw/zinc/89/48/09/826894809.db2.gz RTNAUVMLLHLEFX-NEPJUHHUSA-N 2 0 255.362 -0.225 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001265504797 826899761 /nfs/dbraw/zinc/89/97/61/826899761.db2.gz JIZBRFQAKFDRAU-MGCOHNPYSA-N 2 0 256.350 -0.950 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)CCC1 ZINC001265542991 826902942 /nfs/dbraw/zinc/90/29/42/826902942.db2.gz BMMAUJIHZKKNMU-PHIMTYICSA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N(C)C ZINC001265818603 826924285 /nfs/dbraw/zinc/92/42/85/826924285.db2.gz NVLCCWZDLAHQEP-SNVBAGLBSA-N 2 0 258.366 -0.879 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001266037420 826948368 /nfs/dbraw/zinc/94/83/68/826948368.db2.gz RFGYXMKKPYEOKR-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266339656 826986902 /nfs/dbraw/zinc/98/69/02/826986902.db2.gz VDRNWOAAGZRYBJ-RYUDHWBXSA-N 2 0 269.389 -0.101 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001266541989 827021009 /nfs/dbraw/zinc/02/10/09/827021009.db2.gz ABAIZBRPEXSNHV-QWHCGFSZSA-N 2 0 285.388 -0.720 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001266803349 827069250 /nfs/dbraw/zinc/06/92/50/827069250.db2.gz CCXFOXXYQYISPL-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC(N)=O ZINC001266950505 827095362 /nfs/dbraw/zinc/09/53/62/827095362.db2.gz LDQXNLUUBRBYDY-SNVBAGLBSA-N 2 0 268.361 -0.806 20 0 CBADRP C[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CCCO ZINC001266993319 827103996 /nfs/dbraw/zinc/10/39/96/827103996.db2.gz JVZANOOOVMVGQN-QWHCGFSZSA-N 2 0 287.404 -0.569 20 0 CBADRP COC[C@@H](O)C[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001266989296 827104174 /nfs/dbraw/zinc/10/41/74/827104174.db2.gz WITHYJUZUTYHBM-OLZOCXBDSA-N 2 0 287.404 -0.617 20 0 CBADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@H]1CCC(=O)NC1=O ZINC001267144228 827118340 /nfs/dbraw/zinc/11/83/40/827118340.db2.gz VNRROFMTJCQLMM-MNOVXSKESA-N 2 0 298.387 -0.772 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001267158542 827119425 /nfs/dbraw/zinc/11/94/25/827119425.db2.gz SBWPKPNOQFKIQB-NWDGAFQWSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@H](O)C[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001267225942 827133111 /nfs/dbraw/zinc/13/31/11/827133111.db2.gz IOHNYXQMYTXBMB-NWDGAFQWSA-N 2 0 257.378 -0.243 20 0 CBADRP COC[C@@H](O)C[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267373756 827162189 /nfs/dbraw/zinc/16/21/89/827162189.db2.gz LSCQCTFABYDSKT-KBPBESRZSA-N 2 0 299.415 -0.617 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)C(N)=O)[NH+](C)C ZINC001267391002 827163526 /nfs/dbraw/zinc/16/35/26/827163526.db2.gz YQNFMRDQIXWQLX-NXEZZACHSA-N 2 0 258.366 -0.752 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+]CCn1cncn1)[NH+](C)C ZINC001267457012 827174549 /nfs/dbraw/zinc/17/45/49/827174549.db2.gz RDULKCUDSRNGMX-GFCCVEGCSA-N 2 0 282.392 -0.334 20 0 CBADRP CCN1CCO[C@@H](C(=O)N(C)CC[NH2+]C[C@H](C)O)C1 ZINC001267471975 827174817 /nfs/dbraw/zinc/17/48/17/827174817.db2.gz YPBSWITUVCNANI-NWDGAFQWSA-N 2 0 273.377 -0.864 20 0 CBADRP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001267752365 827215161 /nfs/dbraw/zinc/21/51/61/827215161.db2.gz XQAXEXNNWULVGX-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCOCCO)C1 ZINC001267768026 827218232 /nfs/dbraw/zinc/21/82/32/827218232.db2.gz LPHXRGQABMSWMT-ZIAGYGMSSA-N 2 0 299.415 -0.378 20 0 CBADRP CN(CC[N@H+](C)CCCO)C(=O)[C@H]1CCC[NH+]1C ZINC001268245514 827270564 /nfs/dbraw/zinc/27/05/64/827270564.db2.gz PRXDTYHLUYHYKX-GFCCVEGCSA-N 2 0 257.378 -0.147 20 0 CBADRP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(N)=O ZINC001268216002 827262134 /nfs/dbraw/zinc/26/21/34/827262134.db2.gz FPLWWPNWDPCTIA-JTQLQIEISA-N 2 0 258.366 -0.846 20 0 CBADRP CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268308313 827291736 /nfs/dbraw/zinc/29/17/36/827291736.db2.gz NYPRAJCDNRLSTL-STQMWFEESA-N 2 0 269.389 -0.195 20 0 CBADRP CC(C)[NH2+]C[C@H](O)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268322150 827299317 /nfs/dbraw/zinc/29/93/17/827299317.db2.gz PNKZRUFXISQBOH-NEPJUHHUSA-N 2 0 257.378 -0.197 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC1CC1)[NH+](C)C ZINC001268321884 827300422 /nfs/dbraw/zinc/30/04/22/827300422.db2.gz OLULKSLRAISOBN-RYUDHWBXSA-N 2 0 257.378 -0.197 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CCOC2CCC2)C1 ZINC001268336527 827309387 /nfs/dbraw/zinc/30/93/87/827309387.db2.gz UOWSGZUGWPTKID-QWHCGFSZSA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@@H](CC[NH2+]Cc1nncn1C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268347178 827312697 /nfs/dbraw/zinc/31/26/97/827312697.db2.gz BDOXCIQYAQWIDS-NWDGAFQWSA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@H](CC[NH2+]Cc1nncn1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268347157 827313044 /nfs/dbraw/zinc/31/30/44/827313044.db2.gz BDOXCIQYAQWIDS-NEPJUHHUSA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@@H](CC[NH2+]CCn1cncn1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268350304 827313524 /nfs/dbraw/zinc/31/35/24/827313524.db2.gz OOAHMOPHZRBGQZ-QWHCGFSZSA-N 2 0 294.403 -0.143 20 0 CBADRP CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268422354 827325324 /nfs/dbraw/zinc/32/53/24/827325324.db2.gz AMAOZEWVSBPTPJ-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@H](C(=O)N(CC)CC[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001268458936 827333746 /nfs/dbraw/zinc/33/37/46/827333746.db2.gz VVBQZGORKKDSAY-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CCN(CC[NH2+]CC(=O)NC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268497228 827341845 /nfs/dbraw/zinc/34/18/45/827341845.db2.gz HMVKGYDTYGTXSZ-NSHDSACASA-N 2 0 270.377 -0.878 20 0 CBADRP C[C@H]([NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001268562468 827364499 /nfs/dbraw/zinc/36/44/99/827364499.db2.gz HMTPUKMYPZSXJM-DLGQBQFBSA-N 2 0 294.399 -0.249 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NC/C=C\C[NH2+]CCO)CC[N@@H+]1C ZINC001268580423 827371461 /nfs/dbraw/zinc/37/14/61/827371461.db2.gz AZZDQYZMGVWQGZ-LDIIPZEWSA-N 2 0 269.389 -0.029 20 0 CBADRP Cn1nncc1C[NH2+]C/C=C\CNC(=O)CC[NH+](C)C ZINC001268585919 827374542 /nfs/dbraw/zinc/37/45/42/827374542.db2.gz BXLGXMQQLJYKFR-PLNGDYQASA-N 2 0 280.376 -0.471 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001268597389 827375898 /nfs/dbraw/zinc/37/58/98/827375898.db2.gz RYTAPXNGGFPLLW-IHVVCDCBSA-N 2 0 296.415 -0.003 20 0 CBADRP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001268625279 827382711 /nfs/dbraw/zinc/38/27/11/827382711.db2.gz MEBOSDAOHXALJR-JQSFKPKSSA-N 2 0 296.415 -0.323 20 0 CBADRP C[C@@H](O)C[NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001268625761 827383063 /nfs/dbraw/zinc/38/30/63/827383063.db2.gz SIFMDNFVTUYZHH-QAVQXKDTSA-N 2 0 255.362 -0.275 20 0 CBADRP CN(CCC[NH2+]CC(N)=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268799301 827423368 /nfs/dbraw/zinc/42/33/68/827423368.db2.gz XJUUGUBQHTXUKV-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP CN(CCC[NH2+]CC(N)=O)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001268800582 827423636 /nfs/dbraw/zinc/42/36/36/827423636.db2.gz PGEYDMWODLVRBH-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[C@@H](C(=O)N(C)CCC[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001268915023 827438620 /nfs/dbraw/zinc/43/86/20/827438620.db2.gz HQXQXYZHGXCVCC-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@H](C(=O)N(C)CCC[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001268915022 827439274 /nfs/dbraw/zinc/43/92/74/827439274.db2.gz HQXQXYZHGXCVCC-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268946368 827443386 /nfs/dbraw/zinc/44/33/86/827443386.db2.gz NNPIKUUWTQMWFE-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@@H+]2CCCO)CC1 ZINC001269278556 827487415 /nfs/dbraw/zinc/48/74/15/827487415.db2.gz KUTANOGIKYPKFQ-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCO)CC2)C1 ZINC001269489411 827514151 /nfs/dbraw/zinc/51/41/51/827514151.db2.gz PFYBOMKHHBDCNX-NSHDSACASA-N 2 0 255.362 -0.441 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]C[C@@H](C)O)CC1 ZINC001269518625 827516352 /nfs/dbraw/zinc/51/63/52/827516352.db2.gz HVIHSGHVRGPWCY-LLVKDONJSA-N 2 0 257.378 -0.053 20 0 CBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]CCO ZINC001270051585 827544283 /nfs/dbraw/zinc/54/42/83/827544283.db2.gz YRMWHXJVWYQGIG-ZIAGYGMSSA-N 2 0 281.400 -0.099 20 0 CBADRP C[NH+]1CCC(OCC(=O)N2CCC[C@@H]2C[NH2+]CCO)CC1 ZINC001270281148 827557015 /nfs/dbraw/zinc/55/70/15/827557015.db2.gz HBUPTMHGBRIBRT-CYBMUJFWSA-N 2 0 299.415 -0.330 20 0 CBADRP C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H](Cc1c[nH]cn1)NC=O)C2 ZINC001270406159 827563808 /nfs/dbraw/zinc/56/38/08/827563808.db2.gz OODREODCKJXNSA-WXHSDQCUSA-N 2 0 291.355 -0.771 20 0 CBADRP C[C@@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+](CCO)C1 ZINC001270660155 827587561 /nfs/dbraw/zinc/58/75/61/827587561.db2.gz YRERWQHCUPZRKW-CYBMUJFWSA-N 2 0 255.362 -0.345 20 0 CBADRP COCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001271031795 827616207 /nfs/dbraw/zinc/61/62/07/827616207.db2.gz WCVQTLUHBQEDBA-ZDUSSCGKSA-N 2 0 299.415 -0.018 20 0 CBADRP C[C@@H](C(=O)N1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1)[NH+](C)C ZINC001271148229 827629826 /nfs/dbraw/zinc/62/98/26/827629826.db2.gz KLJAPQYGDATHNM-IHRRRGAJSA-N 2 0 298.431 -0.590 20 0 CBADRP C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C)[NH+](C)C ZINC001271147491 827630191 /nfs/dbraw/zinc/63/01/91/827630191.db2.gz DGUILJNBIODSCP-MELADBBJSA-N 2 0 298.431 -0.590 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001271183184 827675155 /nfs/dbraw/zinc/67/51/55/827675155.db2.gz XLACQCDHQHTLNH-JTQLQIEISA-N 2 0 258.366 -0.750 20 0 CBADRP C[NH+](C)CCN1CC2(C1)CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001271222733 827678743 /nfs/dbraw/zinc/67/87/43/827678743.db2.gz FDECBKALLADVSO-ZDUSSCGKSA-N 2 0 280.416 -0.356 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC(N)=O ZINC001271493721 827705876 /nfs/dbraw/zinc/70/58/76/827705876.db2.gz CXLBCRJCNKREBG-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP CCOCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001272380471 827788392 /nfs/dbraw/zinc/78/83/92/827788392.db2.gz NCGXCSGVGQIPGS-NEPJUHHUSA-N 2 0 273.377 -0.816 20 0 CBADRP CCOCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001272380473 827788903 /nfs/dbraw/zinc/78/89/03/827788903.db2.gz NCGXCSGVGQIPGS-RYUDHWBXSA-N 2 0 273.377 -0.816 20 0 CBADRP COCC[NH2+]C[C@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001272538058 827817384 /nfs/dbraw/zinc/81/73/84/827817384.db2.gz ZPSAGWYWKWJNRY-ZDUSSCGKSA-N 2 0 287.404 -0.569 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CC[NH+]2C ZINC001272555004 827820188 /nfs/dbraw/zinc/82/01/88/827820188.db2.gz JRIDQSHEKDUYGC-AVGNSLFASA-N 2 0 266.389 -0.463 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](C)C2 ZINC001272555079 827820565 /nfs/dbraw/zinc/82/05/65/827820565.db2.gz KKILAQLMGCQHIO-GFCCVEGCSA-N 2 0 266.389 -0.604 20 0 CBADRP C[C@H](CC[NH2+]CC(=O)N(C)C)NC(=O)CC[NH+](C)C ZINC001272993024 827855049 /nfs/dbraw/zinc/85/50/49/827855049.db2.gz GXCKXMDCGLMTRL-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001273070175 827861260 /nfs/dbraw/zinc/86/12/60/827861260.db2.gz ULVYPRHGCCLMEY-WVMKXHBISA-N 2 0 267.373 -0.206 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCO)C1 ZINC001273276707 827881104 /nfs/dbraw/zinc/88/11/04/827881104.db2.gz LIYSITAIPUOCCR-STQMWFEESA-N 2 0 285.388 -0.720 20 0 CBADRP CC[C@H](C(=O)N1CCO[C@H](C[NH2+]CCCO)C1)[NH+](C)C ZINC001273342669 827891322 /nfs/dbraw/zinc/89/13/22/827891322.db2.gz OWRHEJCBDGVYTP-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CCN(CC[NH2+]CC(=O)NC)C(=O)C12CCC[NH+]1CCC2 ZINC001273483237 827903072 /nfs/dbraw/zinc/90/30/72/827903072.db2.gz DTAXKFREUFKYEC-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273699368 827919157 /nfs/dbraw/zinc/91/91/57/827919157.db2.gz LJCKFJOCISWRPF-OAHLLOKOSA-N 2 0 296.415 -0.392 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001274047323 827955349 /nfs/dbraw/zinc/95/53/49/827955349.db2.gz OBXIGXXZAVSUOD-TZMCWYRMSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274045832 827956095 /nfs/dbraw/zinc/95/60/95/827956095.db2.gz ABUICSFZDHGUBH-IUODEOHRSA-N 2 0 297.399 -0.230 20 0 CBADRP CNC(=O)C[N@@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001274074615 827967167 /nfs/dbraw/zinc/96/71/67/827967167.db2.gz YMBWUUHKALFDSV-OAHLLOKOSA-N 2 0 296.415 -0.249 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H]1CCNC1=O ZINC001274133951 827969148 /nfs/dbraw/zinc/96/91/48/827969148.db2.gz OTUNCRZDQAQMMD-CDJBXZAQSA-N 2 0 294.399 -0.379 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H]1CCNC1=O ZINC001274133952 827969689 /nfs/dbraw/zinc/96/96/89/827969689.db2.gz OTUNCRZDQAQMMD-FGTRRKKMSA-N 2 0 294.399 -0.379 20 0 CBADRP CC[C@@H](C(=O)NC/C=C/C[NH2+][C@H]1CCCNC1=O)[NH+](C)C ZINC001274367545 827985044 /nfs/dbraw/zinc/98/50/44/827985044.db2.gz CEJXWFFBRGWXAO-AAAGKOELSA-N 2 0 296.415 -0.133 20 0 CBADRP C[NH+](C)CCNC(=O)[C@@H]1CC12CC[NH+](C[C@H](O)CO)CC2 ZINC001274564604 828001426 /nfs/dbraw/zinc/00/14/26/828001426.db2.gz JVVKXFZAPCHUKG-STQMWFEESA-N 2 0 299.415 -0.881 20 0 CBADRP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+][C@@H]1CCCNC1=O ZINC001274579506 828007398 /nfs/dbraw/zinc/00/73/98/828007398.db2.gz VKNAWEUADNUIJQ-UIIMQBOASA-N 2 0 294.399 -0.377 20 0 CBADRP Cn1c[nH+]cc1N1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001274758616 828028523 /nfs/dbraw/zinc/02/85/23/828028523.db2.gz KVHIEOSSZJRPAO-UHFFFAOYSA-N 2 0 293.371 -0.601 20 0 CBADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](C[C@H]3CCC(=O)N3)C[C@H]21 ZINC001275188979 828064764 /nfs/dbraw/zinc/06/47/64/828064764.db2.gz RMEXECYRPCYHDS-MCIONIFRSA-N 2 0 296.415 -0.788 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCn1cncn1)[NH+](C)C ZINC001275189484 828066577 /nfs/dbraw/zinc/06/65/77/828066577.db2.gz LELUIOAQOOODGT-STQMWFEESA-N 2 0 296.419 -0.041 20 0 CBADRP C[C@@H](C[NH2+]CCO)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001275203363 828067163 /nfs/dbraw/zinc/06/71/63/828067163.db2.gz QDSSEDMEIGLSDX-LBPRGKRZSA-N 2 0 269.389 -0.051 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CCOCCO)C1 ZINC001275210054 828067821 /nfs/dbraw/zinc/06/78/21/828067821.db2.gz OSUIUNQBUJMRBU-JXQTWKCFSA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@H](CNC(=O)Cc1ncc[nH]1)[N@H+](C)CCCO ZINC001275963952 828126499 /nfs/dbraw/zinc/12/64/99/828126499.db2.gz WMGBNWWAPXKXLD-SNVBAGLBSA-N 2 0 254.334 -0.229 20 0 CBADRP CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001276076413 828132891 /nfs/dbraw/zinc/13/28/91/828132891.db2.gz OWPFJQVPMZYZTC-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[C@H](C(=O)N(C)CCC[NH2+][C@H](C)C(N)=O)[NH+](C)C ZINC001276213672 828138109 /nfs/dbraw/zinc/13/81/09/828138109.db2.gz BVSNRQWUUMFFGM-VXGBXAGGSA-N 2 0 286.420 -0.116 20 0 CBADRP COC(=O)[C@@H](C)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001276524214 828148135 /nfs/dbraw/zinc/14/81/35/828148135.db2.gz YXINRDKMNKHGHO-MJBXVCDLSA-N 2 0 299.415 -0.258 20 0 CBADRP COC(=O)[C@H](C)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001276521570 828148555 /nfs/dbraw/zinc/14/85/55/828148555.db2.gz DCCQZAYGTFAXLR-MCIONIFRSA-N 2 0 299.415 -0.258 20 0 CBADRP C[NH+](C)CCN1CCC2(C[NH+](C[C@@H]3COCCO3)C2)C1 ZINC001277526626 828193153 /nfs/dbraw/zinc/19/31/53/828193153.db2.gz JCFAYCFCJKLQPH-CQSZACIVSA-N 2 0 283.416 -0.029 20 0 CBADRP NC(=O)c1[nH]nc2c1C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC001277822223 828212156 /nfs/dbraw/zinc/21/21/56/828212156.db2.gz SFNZZARDYVFLEL-UHFFFAOYSA-N 2 0 263.345 -0.134 20 0 CBADRP NC(=O)C[C@@H]1C[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]2O1 ZINC001277821080 828212504 /nfs/dbraw/zinc/21/25/04/828212504.db2.gz COMGPMAKIPUDRA-AGIUHOORSA-N 2 0 267.373 -0.049 20 0 CBADRP C[C@@H]1Cc2nnc(C(N)=O)n2CC[N@@H+]1CC1CC[NH2+]CC1 ZINC001277822200 828212553 /nfs/dbraw/zinc/21/25/53/828212553.db2.gz RTCQZZBJELCRRB-SNVBAGLBSA-N 2 0 292.387 -0.377 20 0 CBADRP COC(=O)CC[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001277872444 828215414 /nfs/dbraw/zinc/21/54/14/828215414.db2.gz SOKSYFVIIOIWIU-UHFFFAOYSA-N 2 0 255.362 -0.271 20 0 CBADRP COC(=O)CC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001277864883 828215529 /nfs/dbraw/zinc/21/55/29/828215529.db2.gz NRRFEAJBQRWZKT-RYUDHWBXSA-N 2 0 295.383 -0.308 20 0 CBADRP CC(=O)NCC[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001277909484 828217493 /nfs/dbraw/zinc/21/74/93/828217493.db2.gz DDTKJQBQOAOIFL-KBPBESRZSA-N 2 0 268.405 -0.167 20 0 CBADRP CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(CC(N)=O)C2 ZINC001277981058 828225944 /nfs/dbraw/zinc/22/59/44/828225944.db2.gz GAOOTUIMKUHIFK-CQSZACIVSA-N 2 0 268.405 -0.179 20 0 CBADRP C[N@H+]1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001278097473 828246526 /nfs/dbraw/zinc/24/65/26/828246526.db2.gz KXAWLPJQXSOECW-WDEREUQCSA-N 2 0 266.345 -0.487 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CC2CC2)CC1 ZINC001278147715 828253217 /nfs/dbraw/zinc/25/32/17/828253217.db2.gz NDSRILSWDSJVAI-ZDUSSCGKSA-N 2 0 269.389 -0.195 20 0 CBADRP CCCC[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001278193622 828257644 /nfs/dbraw/zinc/25/76/44/828257644.db2.gz AJSXWGIKTQMSOD-LBPRGKRZSA-N 2 0 257.378 -0.051 20 0 CBADRP COCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001278755369 828281835 /nfs/dbraw/zinc/28/18/35/828281835.db2.gz FNQPRKTUXYFFJY-ZIAGYGMSSA-N 2 0 299.415 -0.617 20 0 CBADRP CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001278823344 828293464 /nfs/dbraw/zinc/29/34/64/828293464.db2.gz YMJOEWIJJLWECC-AAEUAGOBSA-N 2 0 255.362 -0.489 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NCCCC[NH3+])CC1 ZINC001349486471 890823990 /nfs/dbraw/zinc/82/39/90/890823990.db2.gz FZYUKEFPIMXSTD-UHFFFAOYSA-N 2 0 256.394 -0.131 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC001349585911 890841516 /nfs/dbraw/zinc/84/15/16/890841516.db2.gz QZRDASUBQCRGTA-ZDUSSCGKSA-N 2 0 255.362 -0.048 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001349621440 890851145 /nfs/dbraw/zinc/85/11/45/890851145.db2.gz QNSYQRGYLXYRFZ-MGCOHNPYSA-N 2 0 251.334 -0.122 20 0 CBADRP COCc1noc([C@H](C)N2CC[NH2+]CC[NH2+]CC2)n1 ZINC001350910303 891066523 /nfs/dbraw/zinc/06/65/23/891066523.db2.gz PEVAVPOAWFYKHX-JTQLQIEISA-N 2 0 269.349 -0.228 20 0 CBADRP O=C(NCC1C[NH2+]C1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001326002496 884868959 /nfs/dbraw/zinc/86/89/59/884868959.db2.gz YESGNSFZBWFNGE-SNVBAGLBSA-N 2 0 264.333 -0.848 20 0 CBADRP C[C@H]1CC2(CN1C(=O)CNC(=O)C[NH3+])CC[NH2+]CC2 ZINC001326143177 884919658 /nfs/dbraw/zinc/91/96/58/884919658.db2.gz BHMGMBIUNPTSIY-JTQLQIEISA-N 2 0 268.361 -0.948 20 0 CBADRP C[C@@]1(CN2CCN([C@@H]3CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC001326237308 884952405 /nfs/dbraw/zinc/95/24/05/884952405.db2.gz VVNPBRHIQOTKIC-ZIAGYGMSSA-N 2 0 252.406 -0.035 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001326316963 884985217 /nfs/dbraw/zinc/98/52/17/884985217.db2.gz JKUPMWHOMNBXTN-WPRPVWTQSA-N 2 0 252.322 -0.753 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)c2cn(CCC[NH3+])nn2)C1 ZINC001326363064 885003652 /nfs/dbraw/zinc/00/36/52/885003652.db2.gz ZLMGORPMUOZWOM-JTQLQIEISA-N 2 0 266.349 -0.549 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NCC1(C)CC[NH2+]CC1 ZINC001326625777 885095468 /nfs/dbraw/zinc/09/54/68/885095468.db2.gz FOZYZVBANJHWSQ-LLVKDONJSA-N 2 0 256.394 -0.229 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2CCC[NH2+]CC2)CCCO1 ZINC001326626218 885095671 /nfs/dbraw/zinc/09/56/71/885095671.db2.gz INXGPJDTXZNCGV-RYUDHWBXSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]CCCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001328437682 885686440 /nfs/dbraw/zinc/68/64/40/885686440.db2.gz RIAJZATWSZHQIQ-UHFFFAOYSA-N 2 0 252.322 -0.719 20 0 CBADRP Cc1nn(CCO)c(C)c1C[NH2+]CCOCCC[NH3+] ZINC001329136249 885944986 /nfs/dbraw/zinc/94/49/86/885944986.db2.gz XORKTUDNPHIAOQ-UHFFFAOYSA-N 2 0 270.377 -0.053 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001329484682 886090058 /nfs/dbraw/zinc/09/00/58/886090058.db2.gz SKEGJBVFAWKGLS-CHWSQXEVSA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH2+]CCC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001330592259 886492948 /nfs/dbraw/zinc/49/29/48/886492948.db2.gz OTYQLUYGNJSFCP-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001330603756 886497774 /nfs/dbraw/zinc/49/77/74/886497774.db2.gz VRWJEEZSLNUHQK-VVVCHXIZSA-N 2 0 261.391 -0.659 20 0 CBADRP CCN(C(=O)c1cn(CCCC[NH3+])nn1)[C@@H]1CC[NH2+]C1 ZINC001330984831 886639527 /nfs/dbraw/zinc/63/95/27/886639527.db2.gz OZWSVCNPYCRDBZ-LLVKDONJSA-N 2 0 280.376 -0.159 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCC[C@H](C)[NH3+])C1CC1 ZINC001331319014 886774522 /nfs/dbraw/zinc/77/45/22/886774522.db2.gz JYTAVQQGRYPPSW-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCCF ZINC001331683871 886903935 /nfs/dbraw/zinc/90/39/35/886903935.db2.gz MEMXTFWEKDYDPU-QWRGUYRKSA-N 2 0 261.341 -0.493 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC001331705308 886921363 /nfs/dbraw/zinc/92/13/63/886921363.db2.gz FYUJMUSTIRQBGE-VXGBXAGGSA-N 2 0 282.388 -0.654 20 0 CBADRP COCC[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001331741020 886948064 /nfs/dbraw/zinc/94/80/64/886948064.db2.gz SOZCMLBYTAVOCD-GFCCVEGCSA-N 2 0 285.388 -0.672 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])CC[N@@H+]1C ZINC001332235881 887165472 /nfs/dbraw/zinc/16/54/72/887165472.db2.gz RGZHMXNOXAUCAG-MNOVXSKESA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC001332403475 887263088 /nfs/dbraw/zinc/26/30/88/887263088.db2.gz WXCAIESKXNTWFF-GARJFASQSA-N 2 0 263.407 -0.522 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)c1cnn(C)c1 ZINC001332399232 887260228 /nfs/dbraw/zinc/26/02/28/887260228.db2.gz DUQIDBRSPLXTDF-USWWRNFRSA-N 2 0 265.361 -0.124 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NCCC[NH+]1CCC(O)CC1 ZINC001332500668 887322749 /nfs/dbraw/zinc/32/27/49/887322749.db2.gz WTWBXCAFAPKJGB-GFCCVEGCSA-N 2 0 285.388 -0.672 20 0 CBADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC001332555333 887351509 /nfs/dbraw/zinc/35/15/09/887351509.db2.gz ITPRDAIRAJOIJU-RXGFPQBGSA-N 2 0 267.373 -0.003 20 0 CBADRP CS(=O)(=O)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001332878708 887457983 /nfs/dbraw/zinc/45/79/83/887457983.db2.gz MNUWZIHWVHCGAU-IVZWLZJFSA-N 2 0 250.364 -0.749 20 0 CBADRP C[NH2+]CCC[NH+]1CCC2(CC1)C[C@H](O)CNC2=O ZINC001333530092 887675912 /nfs/dbraw/zinc/67/59/12/887675912.db2.gz RJCDXWXRHJZAQG-NSHDSACASA-N 2 0 255.362 -0.441 20 0 CBADRP CS(=O)(=O)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC001334391410 887948550 /nfs/dbraw/zinc/94/85/50/887948550.db2.gz UGEUJQYHTJQMQV-BBBLOLIVSA-N 2 0 250.364 -0.891 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001335845615 888645294 /nfs/dbraw/zinc/64/52/94/888645294.db2.gz OVJDBSNOULJROG-QWRGUYRKSA-N 2 0 255.362 -0.273 20 0 CBADRP C[NH+]1CCN(CC[NH2+]C[C@@H](O)CC(C)(C)O)CC1 ZINC001335896549 888652843 /nfs/dbraw/zinc/65/28/43/888652843.db2.gz GJGWEOPPZOFISP-LBPRGKRZSA-N 2 0 259.394 -0.655 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)=NO1 ZINC001336742815 888864544 /nfs/dbraw/zinc/86/45/44/888864544.db2.gz UPRBDFOVCSNLST-LMLFDSFASA-N 2 0 266.345 -0.263 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001336920124 888923510 /nfs/dbraw/zinc/92/35/10/888923510.db2.gz AZZSPZMEYYSNAE-ZJUUUORDSA-N 2 0 258.366 -0.129 20 0 CBADRP CCO[C@@H](CNC(=O)N(C)C[C@@H](C)[NH3+])C[NH+](C)C ZINC001336976431 888939369 /nfs/dbraw/zinc/93/93/69/888939369.db2.gz DBSBNCQJSDBMFX-MNOVXSKESA-N 2 0 260.382 -0.058 20 0 CBADRP C[NH2+]CCCCC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC001338368238 889148655 /nfs/dbraw/zinc/14/86/55/889148655.db2.gz FYZXWYJTZPJTLS-LBPRGKRZSA-N 2 0 284.404 -0.310 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001340091656 889383564 /nfs/dbraw/zinc/38/35/64/889383564.db2.gz WUTAXXPTXRBFBP-YFKTTZPYSA-N 2 0 257.378 -0.198 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC001340148046 889394621 /nfs/dbraw/zinc/39/46/21/889394621.db2.gz LDDYMSUXBCAYFS-BXKDBHETSA-N 2 0 257.334 -0.536 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC001340281715 889417047 /nfs/dbraw/zinc/41/70/47/889417047.db2.gz HXCXIXUNLHSDQW-VXGBXAGGSA-N 2 0 254.378 -0.523 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC001340477809 889437326 /nfs/dbraw/zinc/43/73/26/889437326.db2.gz PSFSKPVMXRJOER-UMNHJUIQSA-N 2 0 257.378 -0.211 20 0 CBADRP CCCN(CC[NH+](C)C)C(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001340646767 889459626 /nfs/dbraw/zinc/45/96/26/889459626.db2.gz ABVJRMUBUPZTPE-AAEUAGOBSA-N 2 0 257.378 -0.101 20 0 CBADRP CC1(C)[C@H](NC(=O)CNCC[NH3+])[C@H]2CCC[NH2+][C@H]21 ZINC001340847074 889498013 /nfs/dbraw/zinc/49/80/13/889498013.db2.gz NEPYQQNCSXLQTM-MVWJERBFSA-N 2 0 254.378 -0.573 20 0 CBADRP CC(C)OCCN1CCN(C(=O)CNCC[NH3+])CC1 ZINC001340873240 889502568 /nfs/dbraw/zinc/50/25/68/889502568.db2.gz PLYBIIIUFPAPFD-UHFFFAOYSA-N 2 0 272.393 -0.896 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC001340877688 889504332 /nfs/dbraw/zinc/50/43/32/889504332.db2.gz VHMBAYHSHQZIQC-GFCCVEGCSA-N 2 0 263.341 -0.342 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001340914178 889512016 /nfs/dbraw/zinc/51/20/16/889512016.db2.gz FRSHMQLIKUKRKV-UTUOFQBUSA-N 2 0 254.378 -0.748 20 0 CBADRP CC(C)([NH3+])CCNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001340966437 889522712 /nfs/dbraw/zinc/52/27/12/889522712.db2.gz IWHFLENIQSGNBU-SNVBAGLBSA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001341015934 889533218 /nfs/dbraw/zinc/53/32/18/889533218.db2.gz WJAONRFWDJBSBE-QWRGUYRKSA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH2+][C@@H](CNC(=O)C[C@H](O)C[NH3+])Cc1ccccc1 ZINC001341026975 889534134 /nfs/dbraw/zinc/53/41/34/889534134.db2.gz DJLJPXPRAMMDNL-OLZOCXBDSA-N 2 0 265.357 -0.357 20 0 CBADRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)CN1CC[NH2+]CC1 ZINC001341143273 889547894 /nfs/dbraw/zinc/54/78/94/889547894.db2.gz DXVNJBLPKATUHL-SRVKXCTJSA-N 2 0 254.378 -0.511 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC001341250218 889565133 /nfs/dbraw/zinc/56/51/33/889565133.db2.gz KNXDOQHVWFBSCC-YRGRVCCFSA-N 2 0 269.389 -0.066 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)NCCCCCN2CC[NH2+]CC2)C1 ZINC001341190308 889556197 /nfs/dbraw/zinc/55/61/97/889556197.db2.gz GXOAHPMFHNSGCO-BETUJISGSA-N 2 0 268.405 -0.085 20 0 CBADRP [NH3+][C@H](CCC(=O)N[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC001341416791 889591924 /nfs/dbraw/zinc/59/19/24/889591924.db2.gz ASYRZDBYGSVTSM-UPJWGTAASA-N 2 0 263.341 -0.085 20 0 CBADRP CC1(C)CC[NH2+][C@H]1C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001341370480 889584436 /nfs/dbraw/zinc/58/44/36/889584436.db2.gz YQTVDMMQUQYHAM-ZJUUUORDSA-N 2 0 253.346 -0.378 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001341476694 889604621 /nfs/dbraw/zinc/60/46/21/889604621.db2.gz FPWVBDCTFBBUSX-RYUDHWBXSA-N 2 0 255.362 -0.441 20 0 CBADRP CN(CCOCC[NH3+])C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001341472723 889604765 /nfs/dbraw/zinc/60/47/65/889604765.db2.gz NOQJHVIRQRURLF-UHFFFAOYSA-N 2 0 284.360 -0.681 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC001341652513 889639218 /nfs/dbraw/zinc/63/92/18/889639218.db2.gz OFBHBLSCRCBTEB-DDHJBXDOSA-N 2 0 257.378 -0.435 20 0 CBADRP C[C@@H](CNC(=O)CNCC[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC001341662743 889641510 /nfs/dbraw/zinc/64/15/10/889641510.db2.gz MZKUSYBPJNBWPW-NEPJUHHUSA-N 2 0 256.394 -0.229 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@H](C)[C@H](O)C[NH2+]C)CC[C@@H]1[NH3+] ZINC001341659557 889642876 /nfs/dbraw/zinc/64/28/76/889642876.db2.gz NEVULEFRKIHMJA-WISYIIOYSA-N 2 0 257.378 -0.211 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@H](C)[C@@H](O)C[NH2+]C)CC[C@H]1[NH3+] ZINC001341659556 889642922 /nfs/dbraw/zinc/64/29/22/889642922.db2.gz NEVULEFRKIHMJA-KKOKHZNYSA-N 2 0 257.378 -0.211 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001341672909 889644821 /nfs/dbraw/zinc/64/48/21/889644821.db2.gz PMVIMWBKEPQBKW-RISCZKNCSA-N 2 0 267.373 -0.156 20 0 CBADRP COC1CC[NH+](CCNC(=O)C23CC(C2)C[NH2+]3)CC1 ZINC001341716842 889652365 /nfs/dbraw/zinc/65/23/65/889652365.db2.gz JVXLNXQPRRUHTI-UHFFFAOYSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH2+]CCC1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001341748750 889656929 /nfs/dbraw/zinc/65/69/29/889656929.db2.gz SBKNONRUGRVBPQ-TZMCWYRMSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH2+][C@@H](C)C1 ZINC001341764577 889661012 /nfs/dbraw/zinc/66/10/12/889661012.db2.gz INEOSWXDIPMXHN-TUAOUCFPSA-N 2 0 252.362 -0.805 20 0 CBADRP C[C@]1(C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)C[C@H](O)C[NH2+]1 ZINC001341808406 889665842 /nfs/dbraw/zinc/66/58/42/889665842.db2.gz LFEKHDMFCWDDGR-OIMNJJJWSA-N 2 0 267.373 -0.252 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001341848613 889674583 /nfs/dbraw/zinc/67/45/83/889674583.db2.gz RHKTTWAGLLWLSQ-VXGBXAGGSA-N 2 0 255.362 -0.036 20 0 CBADRP CCN(C(=O)[C@H]1C[NH2+]CCN1C)C1CC[NH2+]CC1 ZINC001342087648 889707172 /nfs/dbraw/zinc/70/71/72/889707172.db2.gz NFNCIIOCMLDKFM-GFCCVEGCSA-N 2 0 254.378 -0.510 20 0 CBADRP [NH3+]CCNCC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001342201409 889728685 /nfs/dbraw/zinc/72/86/85/889728685.db2.gz CHGOSYKCCFXAKP-QWHCGFSZSA-N 2 0 262.357 -0.594 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001342255565 889741216 /nfs/dbraw/zinc/74/12/16/889741216.db2.gz IUJQQHVJCSJYHS-CABZTGNLSA-N 2 0 254.334 -0.310 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC001342267479 889743700 /nfs/dbraw/zinc/74/37/00/889743700.db2.gz UEGSIRNTFSXXNG-CYBMUJFWSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N(C)C ZINC001443907747 912301498 /nfs/dbraw/zinc/30/14/98/912301498.db2.gz ZNJIJZUOBFGTQR-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CCN(C(=O)c1cn(CC[NH3+])nn1)[C@H]1CCC[NH2+]C1 ZINC001342276551 889744988 /nfs/dbraw/zinc/74/49/88/889744988.db2.gz KSYPRIZOYHJWDR-JTQLQIEISA-N 2 0 266.349 -0.549 20 0 CBADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001342350078 889758204 /nfs/dbraw/zinc/75/82/04/889758204.db2.gz RDRLGEMOVAZGLT-CZXHOFHRSA-N 2 0 267.373 -0.206 20 0 CBADRP CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@H](C)C(N)=O ZINC001443941016 912310526 /nfs/dbraw/zinc/31/05/26/912310526.db2.gz YQANOEJKGLMXEJ-MNOVXSKESA-N 2 0 284.404 -0.171 20 0 CBADRP CC[C@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@@H]1CCNC1=O ZINC001443984237 912319208 /nfs/dbraw/zinc/31/92/08/912319208.db2.gz SCHVMTFPEIDVKX-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](C[NH3+])C(=O)N=c1nc(C2CC[NH2+]CC2)[nH]n1C ZINC001342483590 889784064 /nfs/dbraw/zinc/78/40/64/889784064.db2.gz JESOHEAXMDQOMV-MRVPVSSYSA-N 2 0 266.349 -0.763 20 0 CBADRP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]CC(=O)NC ZINC001444026659 912328780 /nfs/dbraw/zinc/32/87/80/912328780.db2.gz DAHXHOVZLMRVLJ-LLVKDONJSA-N 2 0 272.393 -0.443 20 0 CBADRP [NH3+]CCCC(=O)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001342557356 889792969 /nfs/dbraw/zinc/79/29/69/889792969.db2.gz WYESCWBRBRXBRZ-CYBMUJFWSA-N 2 0 263.345 -0.278 20 0 CBADRP [NH3+]CCn1cc(C(=O)NC[C@@H]2CCC[NH2+]CC2)nn1 ZINC001342857246 889836429 /nfs/dbraw/zinc/83/64/29/889836429.db2.gz INODYXWODVCDJU-SNVBAGLBSA-N 2 0 266.349 -0.644 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC001342994227 889852823 /nfs/dbraw/zinc/85/28/23/889852823.db2.gz KTSGDOKHARWENA-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001343040034 889859873 /nfs/dbraw/zinc/85/98/73/889859873.db2.gz GAFISDRLMYOPLC-LLVKDONJSA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH+]1CCC(NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001343354723 889894043 /nfs/dbraw/zinc/89/40/43/889894043.db2.gz TUFYDWIKIMJNFK-LBPRGKRZSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@H]1C[N@H+](C)CCN1C ZINC001343492906 889921898 /nfs/dbraw/zinc/92/18/98/889921898.db2.gz WKERLNODCCCXKZ-QNWHQSFQSA-N 2 0 268.405 -0.136 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001343510488 889924505 /nfs/dbraw/zinc/92/45/05/889924505.db2.gz PTBHDUQPGDRBRW-CHWSQXEVSA-N 2 0 268.405 -0.227 20 0 CBADRP [NH3+][C@H](CO)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001343507960 889925595 /nfs/dbraw/zinc/92/55/95/889925595.db2.gz ITQQUVCDOYDSLH-SDDRHHMPSA-N 2 0 255.362 -0.456 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1cnn(C)n1 ZINC001444300656 912416940 /nfs/dbraw/zinc/41/69/40/912416940.db2.gz HFGACQLFGCJLOB-YPMHNXCESA-N 2 0 294.403 -0.249 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001444313122 912423916 /nfs/dbraw/zinc/42/39/16/912423916.db2.gz YDTIPZWMZKSQNH-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001343736943 889958801 /nfs/dbraw/zinc/95/88/01/889958801.db2.gz SRJZOBWRUGXNMS-LOWVWBTDSA-N 2 0 252.362 -0.709 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NCC[C@H]1CCC[NH2+]CC1 ZINC001343764692 889962933 /nfs/dbraw/zinc/96/29/33/889962933.db2.gz KIBFPBNNZXLECS-QWHCGFSZSA-N 2 0 268.405 -0.214 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1cnn(C)n1 ZINC001444411444 912442500 /nfs/dbraw/zinc/44/25/00/912442500.db2.gz VIYNJMQGNFWTGR-NWDGAFQWSA-N 2 0 294.403 -0.391 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1cnn(C)n1 ZINC001444411441 912444185 /nfs/dbraw/zinc/44/41/85/912444185.db2.gz VIYNJMQGNFWTGR-NEPJUHHUSA-N 2 0 294.403 -0.391 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1cnn(C)n1 ZINC001444411451 912447144 /nfs/dbraw/zinc/44/71/44/912447144.db2.gz VIYNJMQGNFWTGR-VXGBXAGGSA-N 2 0 294.403 -0.391 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)C1 ZINC001344010951 889991210 /nfs/dbraw/zinc/99/12/10/889991210.db2.gz HHUQSMMUHORRNV-VWYCJHECSA-N 2 0 253.346 -0.378 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001344057328 889995639 /nfs/dbraw/zinc/99/56/39/889995639.db2.gz FVKADAMPULABSB-ZBOXLXRLSA-N 2 0 255.362 -0.313 20 0 CBADRP [NH3+]CC1(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC(O)C1 ZINC001344103076 890004163 /nfs/dbraw/zinc/00/41/63/890004163.db2.gz UQFAPTRFERNJAG-WIHFPFTRSA-N 2 0 253.346 -0.574 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)CC2CC[NH2+]CC2)CC1 ZINC001344721029 890053767 /nfs/dbraw/zinc/05/37/67/890053767.db2.gz TUIAMLGJSLEKOG-UHFFFAOYSA-N 2 0 268.405 -0.085 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001444638318 912485473 /nfs/dbraw/zinc/48/54/73/912485473.db2.gz RYTHNJFXKPZSCN-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001344988551 890088000 /nfs/dbraw/zinc/08/80/00/890088000.db2.gz MFOAHYIQNDJHDY-MWLCHTKSSA-N 2 0 261.391 -0.621 20 0 CBADRP [NH3+][C@H](CO)C(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001345027409 890089306 /nfs/dbraw/zinc/08/93/06/890089306.db2.gz QYVKILVJQKJOJE-WCQYABFASA-N 2 0 269.389 -0.066 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001444736751 912496784 /nfs/dbraw/zinc/49/67/84/912496784.db2.gz WQCDCJIOWRNKFP-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC001345578214 890143209 /nfs/dbraw/zinc/14/32/09/890143209.db2.gz SLQOMYPDBURVQA-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001346028308 890197510 /nfs/dbraw/zinc/19/75/10/890197510.db2.gz LGNCYSJZOIVBSG-GFCCVEGCSA-N 3 0 268.365 -0.651 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC001346049380 890204153 /nfs/dbraw/zinc/20/41/53/890204153.db2.gz YSNLMTWEVAHCMB-SRVKXCTJSA-N 2 0 282.388 -0.750 20 0 CBADRP C[C@H](NC(=O)CC1([NH3+])CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001346228797 890240912 /nfs/dbraw/zinc/24/09/12/890240912.db2.gz MFYPAIMCXMAMTJ-QWRGUYRKSA-N 2 0 254.378 -0.382 20 0 CBADRP C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1C[N@H+](C)CCN1C ZINC001346228793 890241305 /nfs/dbraw/zinc/24/13/05/890241305.db2.gz MEZGFYYOSILBMF-WYUUTHIRSA-N 2 0 254.378 -0.526 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC001346317642 890267045 /nfs/dbraw/zinc/26/70/45/890267045.db2.gz AKMHQVGGMFHRKV-CHWSQXEVSA-N 2 0 268.405 -0.262 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@H](O)C[NH2+]C[C@H]2CCOC2)CC1 ZINC001445227919 912606749 /nfs/dbraw/zinc/60/67/49/912606749.db2.gz FMHZLPDMLKBZSS-CHWSQXEVSA-N 2 0 299.415 -0.569 20 0 CBADRP [NH3+][C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CC1 ZINC001346479893 890302582 /nfs/dbraw/zinc/30/25/82/890302582.db2.gz XUWQEMLYRNENHV-QJPTWQEYSA-N 2 0 252.362 -0.025 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(C)no1)[NH+](C)C ZINC001445249423 912611546 /nfs/dbraw/zinc/61/15/46/912611546.db2.gz SCDQWNZSFWCTMF-AAEUAGOBSA-N 2 0 298.387 -0.110 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(C)no1)[NH+](C)C ZINC001445249429 912612754 /nfs/dbraw/zinc/61/27/54/912612754.db2.gz SCDQWNZSFWCTMF-YPMHNXCESA-N 2 0 298.387 -0.110 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001445313880 912630034 /nfs/dbraw/zinc/63/00/34/912630034.db2.gz OKMNCBZZZHELDH-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445301582 912630110 /nfs/dbraw/zinc/63/01/10/912630110.db2.gz AMWULAFQWUDGCC-AAEUAGOBSA-N 2 0 296.415 -0.360 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445301592 912630721 /nfs/dbraw/zinc/63/07/21/912630721.db2.gz AMWULAFQWUDGCC-YPMHNXCESA-N 2 0 296.415 -0.360 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001445609098 912710100 /nfs/dbraw/zinc/71/01/00/912710100.db2.gz HMZKJQPCOFLJLC-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001445661025 912729688 /nfs/dbraw/zinc/72/96/88/912729688.db2.gz YUJZOLREJRQPKJ-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001445989452 912796345 /nfs/dbraw/zinc/79/63/45/912796345.db2.gz PWWBQCRKFKFVOH-DGCLKSJQSA-N 2 0 296.415 -0.299 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+][C@H]2CCCNC2=O)CC1 ZINC001446223694 912837139 /nfs/dbraw/zinc/83/71/39/912837139.db2.gz NBVWLIANYBWBOX-NWDGAFQWSA-N 2 0 294.399 -0.402 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2CC([NH+]3CCCC3)C2)C1 ZINC000912324767 884598244 /nfs/dbraw/zinc/59/82/44/884598244.db2.gz HOXBXCIZCLEORF-UHFFFAOYSA-N 2 0 280.416 -0.214 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001446265335 912847830 /nfs/dbraw/zinc/84/78/30/912847830.db2.gz HSWRLBDARPOQTJ-NSHDSACASA-N 2 0 282.388 -0.687 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152426159 884676576 /nfs/dbraw/zinc/67/65/76/884676576.db2.gz DXWKXDDIHCCRHY-LLVKDONJSA-N 2 0 261.366 -0.960 20 0 CBADRP C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001176573744 884704345 /nfs/dbraw/zinc/70/43/45/884704345.db2.gz OHQZGKHTKNNSCL-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188158288 884721462 /nfs/dbraw/zinc/72/14/62/884721462.db2.gz KFJIYWAIMIZHCL-OLZOCXBDSA-N 2 0 287.404 -0.476 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001210811963 884765796 /nfs/dbraw/zinc/76/57/96/884765796.db2.gz SEUGBQKYSMJNPY-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001210811968 884765875 /nfs/dbraw/zinc/76/58/75/884765875.db2.gz SEUGBQKYSMJNPY-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378006 884778042 /nfs/dbraw/zinc/77/80/42/884778042.db2.gz ASWWIGWUZODIMF-QJPTWQEYSA-N 2 0 273.377 -0.866 20 0 CBADRP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378536 884778493 /nfs/dbraw/zinc/77/84/93/884778493.db2.gz VLINCDDGZXPNPO-JHJVBQTASA-N 2 0 287.404 -0.212 20 0 CBADRP Nc1ccc(-c2nc(=O)on2C(=O)[C@@H]([NH3+])CCC[NH3+])cc1 ZINC001219386015 884790883 /nfs/dbraw/zinc/79/08/83/884790883.db2.gz BMMZMWTXCGQBAZ-JTQLQIEISA-N 2 0 291.311 -0.208 20 0 CBADRP C[C@@H]1CN(C(=O)COC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC001326074240 884898317 /nfs/dbraw/zinc/89/83/17/884898317.db2.gz KAMJLWMYYWPOQO-PWSUYJOCSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(C(=O)c1cn(CCC[NH3+])nn1)[C@@H](C[NH3+])C1CC1 ZINC001326166245 884931309 /nfs/dbraw/zinc/93/13/09/884931309.db2.gz GLSWJJISSIQLJS-NSHDSACASA-N 2 0 266.349 -0.564 20 0 CBADRP C[C@]1(CN2CCN([C@H]3CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC001326237305 884952766 /nfs/dbraw/zinc/95/27/66/884952766.db2.gz VVNPBRHIQOTKIC-KBPBESRZSA-N 2 0 252.406 -0.035 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC001326236277 884954240 /nfs/dbraw/zinc/95/42/40/884954240.db2.gz GJGBGRCBUVFDQW-SDDRHHMPSA-N 3 0 256.394 -0.101 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn(CCC[NH3+])nn2)CC[NH2+]1 ZINC001326256778 884962584 /nfs/dbraw/zinc/96/25/84/884962584.db2.gz ASAVUJXNYUQKMZ-SECBINFHSA-N 2 0 252.322 -0.939 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001326297568 884976028 /nfs/dbraw/zinc/97/60/28/884976028.db2.gz CJOXACQBDZZSRU-CYBMUJFWSA-N 2 0 270.421 -0.014 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H]1NCC(=O)N1CC[NH2+]CC1 ZINC001326310945 884986753 /nfs/dbraw/zinc/98/67/53/884986753.db2.gz MGNFOIBXKIBXLF-NSHDSACASA-N 2 0 254.378 -0.604 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCO)C1 ZINC001326329521 884988351 /nfs/dbraw/zinc/98/83/51/884988351.db2.gz CEPUIAAXLWJPMA-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC001326352727 885002337 /nfs/dbraw/zinc/00/23/37/885002337.db2.gz JSCOPFDUAVSJFC-NXEZZACHSA-N 2 0 263.345 -0.080 20 0 CBADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)C[NH3+] ZINC001326369129 885007906 /nfs/dbraw/zinc/00/79/06/885007906.db2.gz DRXVXSNASPZMON-UHFFFAOYSA-N 2 0 250.302 -0.256 20 0 CBADRP C[NH2+]C[C@](C)(O)CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001326487301 885046004 /nfs/dbraw/zinc/04/60/04/885046004.db2.gz LLQMYIJLCNXCEJ-CABCVRRESA-N 2 0 284.448 -0.331 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001446464713 912891817 /nfs/dbraw/zinc/89/18/17/912891817.db2.gz XFLKEVJIGCYYBI-KBPBESRZSA-N 2 0 299.415 -0.330 20 0 CBADRP NC(=O)CC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001326600304 885081209 /nfs/dbraw/zinc/08/12/09/885081209.db2.gz VKGLSHQUUVTLJQ-RYUDHWBXSA-N 2 0 255.362 -0.171 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC[C@@H]2CCOC2)CC1 ZINC001326596464 885083420 /nfs/dbraw/zinc/08/34/20/885083420.db2.gz KTHAWAGMMJWMHA-ZIAGYGMSSA-N 2 0 271.405 -0.389 20 0 CBADRP CN(C(=O)[C@@H](N)CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC001326628187 885098619 /nfs/dbraw/zinc/09/86/19/885098619.db2.gz VEGWAWMZNOSHDU-LBPRGKRZSA-N 2 0 256.394 -0.182 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC2CCC([NH3+])CC2)C1 ZINC001326806468 885158534 /nfs/dbraw/zinc/15/85/34/885158534.db2.gz GFTGPNXVOKMUSF-WLOAISHVSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC(=O)OC)C1 ZINC001326820277 885166048 /nfs/dbraw/zinc/16/60/48/885166048.db2.gz LJZLIPKYTHRKBX-UWVGGRQHSA-N 2 0 257.334 -0.665 20 0 CBADRP C[NH+](C)C1(C(=O)N2CCO[C@@H](C[NH2+]CCCO)C2)CCC1 ZINC001326988966 885213800 /nfs/dbraw/zinc/21/38/00/885213800.db2.gz RMCHGQYECBAZLN-ZDUSSCGKSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[C@H](O)CCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001327006415 885223227 /nfs/dbraw/zinc/22/32/27/885223227.db2.gz YHGUJFGJHYLZRV-KBPBESRZSA-N 2 0 273.421 -0.265 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001446630395 912914247 /nfs/dbraw/zinc/91/42/47/912914247.db2.gz XAIWFHDLONHWLD-CQSZACIVSA-N 2 0 284.404 -0.358 20 0 CBADRP CCCCC[N@H+](CCO)CC(=O)N1CC[NH2+]CC1 ZINC001327086702 885253823 /nfs/dbraw/zinc/25/38/23/885253823.db2.gz GGCFKFYSFILWTD-UHFFFAOYSA-N 2 0 257.378 -0.097 20 0 CBADRP O=C(C[N@@H+]1CCC[C@@H]2COCC[C@@H]21)N1CC[NH2+]CC1 ZINC001327086711 885254775 /nfs/dbraw/zinc/25/47/75/885254775.db2.gz GKVWFIFBNKMNAP-OLZOCXBDSA-N 2 0 267.373 -0.081 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)NC[C@@H]([NH3+])C2CC2)nn1 ZINC001327104024 885255885 /nfs/dbraw/zinc/25/58/85/885255885.db2.gz CPLFVRPQEZFYPX-SNVBAGLBSA-N 2 0 266.349 -0.516 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC001327159712 885273271 /nfs/dbraw/zinc/27/32/71/885273271.db2.gz KNBMLNVLWBFQCW-UPJWGTAASA-N 2 0 296.415 -0.299 20 0 CBADRP C(CN1CC[NH+](CC2CCOCC2)CC1)N1CC[NH2+]CC1 ZINC001327205370 885282329 /nfs/dbraw/zinc/28/23/29/885282329.db2.gz DXRZXVFLPGGUIR-UHFFFAOYSA-N 2 0 296.459 -0.064 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001446726052 912927098 /nfs/dbraw/zinc/92/70/98/912927098.db2.gz MROSSAQWPOKKJS-UHFFFAOYSA-N 2 0 287.404 -0.425 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](N)CC[NH+](C)C ZINC001327448279 885357751 /nfs/dbraw/zinc/35/77/51/885357751.db2.gz GPFLRXOEMJVBSZ-QWHCGFSZSA-N 2 0 285.436 -0.983 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC001327448218 885358349 /nfs/dbraw/zinc/35/83/49/885358349.db2.gz DMHRBBNSQPKRER-QWRGUYRKSA-N 2 0 256.394 -0.230 20 0 CBADRP [NH3+]CCn1cc(C(=O)Nc2cccc(C[NH3+])c2)nn1 ZINC001327561127 885408835 /nfs/dbraw/zinc/40/88/35/885408835.db2.gz CBLBCFFVFUTIRN-UHFFFAOYSA-N 2 0 260.301 -0.052 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001327579421 885413195 /nfs/dbraw/zinc/41/31/95/885413195.db2.gz UXDYXTAJPYGBKH-SNVBAGLBSA-N 2 0 253.306 -0.760 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001327595698 885422456 /nfs/dbraw/zinc/42/24/56/885422456.db2.gz AVLZCGFLKNNZOO-BDAKNGLRSA-N 2 0 251.334 -0.189 20 0 CBADRP C[NH2+]CCCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001327598219 885423272 /nfs/dbraw/zinc/42/32/72/885423272.db2.gz ZWMKIYGANRTWHW-NSHDSACASA-N 2 0 280.376 -0.068 20 0 CBADRP C[C@@H](NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)[C@H](C)[NH3+] ZINC001327597068 885423375 /nfs/dbraw/zinc/42/33/75/885423375.db2.gz MHTILHBKCFYYAD-YIZRAAEISA-N 2 0 251.334 -0.048 20 0 CBADRP O=C(C[C@H]1CC[NH2+]C1)NCCC[NH+]1CCC(O)CC1 ZINC001327595721 885423734 /nfs/dbraw/zinc/42/37/34/885423734.db2.gz BMFAAGKVNBLXMK-GFCCVEGCSA-N 2 0 269.389 -0.051 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)c2cn(CC[NH3+])nn2)CC[NH2+]1 ZINC001327598064 885424128 /nfs/dbraw/zinc/42/41/28/885424128.db2.gz YKYJEGXPGLCQLB-RKDXNWHRSA-N 2 0 252.322 -0.893 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C[NH2+]CC2CC2)n1 ZINC001327601212 885425686 /nfs/dbraw/zinc/42/56/86/885425686.db2.gz JCJIPKLSPKUAIT-UHFFFAOYSA-N 2 0 265.317 -0.743 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC001327918297 885527745 /nfs/dbraw/zinc/52/77/45/885527745.db2.gz OKNIQYFEZKVJOH-UWVGGRQHSA-N 2 0 263.345 -0.080 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001327929833 885530855 /nfs/dbraw/zinc/53/08/55/885530855.db2.gz VSKKDTFBYPDVNE-RHYQMDGZSA-N 2 0 253.346 -0.439 20 0 CBADRP CC(C)NC(=O)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001327974646 885545857 /nfs/dbraw/zinc/54/58/57/885545857.db2.gz BOKLBLZARZIZSW-CYBMUJFWSA-N 2 0 286.420 -0.901 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCC2(O)CCC2)CC1 ZINC001327992044 885548496 /nfs/dbraw/zinc/54/84/96/885548496.db2.gz LOBKZLYDCLVDKT-CQSZACIVSA-N 2 0 285.432 -0.121 20 0 CBADRP [NH3+]C1CCC(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC001328223749 885604962 /nfs/dbraw/zinc/60/49/62/885604962.db2.gz KQDBOJXBQZMGFZ-VQXHTEKXSA-N 2 0 268.361 -0.759 20 0 CBADRP [NH3+]C1CCC(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001328223747 885605305 /nfs/dbraw/zinc/60/53/05/885605305.db2.gz KQDBOJXBQZMGFZ-ILDUYXDCSA-N 2 0 268.361 -0.759 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N[C@@H](CC[NH3+])C(F)F)nn1 ZINC001328317902 885632491 /nfs/dbraw/zinc/63/24/91/885632491.db2.gz QDBXWUQEIIKEBX-QMMMGPOBSA-N 2 0 290.318 -0.271 20 0 CBADRP CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001446801012 912956414 /nfs/dbraw/zinc/95/64/14/912956414.db2.gz ZVIXTNQVVUTQRX-ZFWWWQNUSA-N 2 0 299.415 -0.330 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)nn1 ZINC001328332014 885639531 /nfs/dbraw/zinc/63/95/31/885639531.db2.gz HIVVOTCWMLUPGL-UWVGGRQHSA-N 2 0 266.349 -0.516 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC001328370224 885659919 /nfs/dbraw/zinc/65/99/19/885659919.db2.gz MHKDWSNWPTUKCJ-GRYCIOLGSA-N 2 0 282.388 -0.737 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC001328370227 885660489 /nfs/dbraw/zinc/66/04/89/885660489.db2.gz MHKDWSNWPTUKCJ-SRVKXCTJSA-N 2 0 282.388 -0.737 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC001328524093 885715190 /nfs/dbraw/zinc/71/51/90/885715190.db2.gz IQVKYUMDOYMPGU-GHMZBOCLSA-N 2 0 255.362 -0.184 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001328524226 885715774 /nfs/dbraw/zinc/71/57/74/885715774.db2.gz IQVKYUMDOYMPGU-QWRGUYRKSA-N 2 0 255.362 -0.184 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001328839322 885826487 /nfs/dbraw/zinc/82/64/87/885826487.db2.gz AZFUGODCCZKCET-DGCLKSJQSA-N 2 0 254.378 -0.523 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001446942050 912983009 /nfs/dbraw/zinc/98/30/09/912983009.db2.gz ODTRGIAACPYKLY-NWDGAFQWSA-N 2 0 284.404 -0.502 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccccn2)CC1 ZINC001329135391 885945853 /nfs/dbraw/zinc/94/58/53/885945853.db2.gz RSMCWUIDZQLTJC-CQSZACIVSA-N 2 0 264.373 -0.221 20 0 CBADRP Cn1cc(CCC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cn1 ZINC001329143837 885949879 /nfs/dbraw/zinc/94/98/79/885949879.db2.gz XBLHFPAGOAHNEQ-OAHLLOKOSA-N 2 0 295.431 -0.449 20 0 CBADRP CN(CCC[NH3+])Cc1cn(C[C@H]2C[NH2+]CCO2)nn1 ZINC001329245851 885980921 /nfs/dbraw/zinc/98/09/21/885980921.db2.gz VQVCKLYDUYIVLE-GFCCVEGCSA-N 2 0 268.365 -0.953 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)c1cn(CCCC[NH3+])nn1 ZINC001329301832 886002707 /nfs/dbraw/zinc/00/27/07/886002707.db2.gz BOYCZDPTIIKHNJ-SNVBAGLBSA-N 2 0 266.349 -0.549 20 0 CBADRP CC(C)([NH3+])CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC001329301747 886004738 /nfs/dbraw/zinc/00/47/38/886004738.db2.gz MIASDHVXXYTFTO-UHFFFAOYSA-N 2 0 254.338 -0.516 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C(C)(C)[NH3+])C[C@H]2[NH3+])cn1 ZINC001329388256 886042336 /nfs/dbraw/zinc/04/23/36/886042336.db2.gz HTYVPZZUIPZCLL-VHSXEESVSA-N 2 0 251.334 -0.590 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001329407882 886052950 /nfs/dbraw/zinc/05/29/50/886052950.db2.gz XSMBKBXPUDKXDA-JTQLQIEISA-N 2 0 296.375 -0.763 20 0 CBADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC001329480965 886087597 /nfs/dbraw/zinc/08/75/97/886087597.db2.gz KTUZIIWFZGJFTK-UTUOFQBUSA-N 2 0 282.388 -0.594 20 0 CBADRP O=C(NCC1C[NH2+]C1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC001329499284 886097408 /nfs/dbraw/zinc/09/74/08/886097408.db2.gz RFRLTZGMIJMRJN-GFCCVEGCSA-N 2 0 263.345 -0.243 20 0 CBADRP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CCN1C ZINC001329504408 886100898 /nfs/dbraw/zinc/10/08/98/886100898.db2.gz IHSKCZDKVUFGEN-FRRDWIJNSA-N 2 0 296.415 -0.267 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC001329521854 886105758 /nfs/dbraw/zinc/10/57/58/886105758.db2.gz ROTFUTJHMPZPEQ-SECBINFHSA-N 2 0 277.315 -0.457 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC001329521855 886106281 /nfs/dbraw/zinc/10/62/81/886106281.db2.gz ROTFUTJHMPZPEQ-VIFPVBQESA-N 2 0 277.315 -0.457 20 0 CBADRP COC1(C(=O)N[C@@H](CC[NH3+])C(F)F)CC[NH2+]CC1 ZINC001329544801 886115334 /nfs/dbraw/zinc/11/53/34/886115334.db2.gz HCJCXVFGHXJCNS-QMMMGPOBSA-N 2 0 265.304 -0.146 20 0 CBADRP COCC[NH2+]CC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001329555670 886121542 /nfs/dbraw/zinc/12/15/42/886121542.db2.gz VUYXTHFOWQMGTD-UHFFFAOYSA-N 2 0 286.420 -0.634 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001329611556 886143039 /nfs/dbraw/zinc/14/30/39/886143039.db2.gz CUOSWDGZBXDLTH-NSHDSACASA-N 2 0 270.377 -0.796 20 0 CBADRP CCN1CC(CCO)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001329707520 886183093 /nfs/dbraw/zinc/18/30/93/886183093.db2.gz JAANMGVHWBRWIU-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001329936089 886286565 /nfs/dbraw/zinc/28/65/65/886286565.db2.gz CIBIWBGLBSTSIO-NKWVEPMBSA-N 2 0 253.306 -0.760 20 0 CBADRP CC(C)([NH3+])CC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001329937003 886286644 /nfs/dbraw/zinc/28/66/44/886286644.db2.gz KNXMFLQXZKYMCY-UHFFFAOYSA-N 2 0 253.306 -0.616 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C[NH+](C)C)CC1 ZINC001329936909 886287353 /nfs/dbraw/zinc/28/73/53/886287353.db2.gz JBVNMJVFCSZDLY-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)NCCC[NH+]2CCC(O)CC2)=NO1 ZINC001329938914 886292492 /nfs/dbraw/zinc/29/24/92/886292492.db2.gz XVXIXCJKHWMYLR-LLVKDONJSA-N 2 0 284.360 -0.947 20 0 CBADRP C[C@]1(NC(=O)c2cn(CCC[NH3+])nn2)CC[NH2+]C1 ZINC001329950069 886294852 /nfs/dbraw/zinc/29/48/52/886294852.db2.gz IMJYJXJFIQXLLY-NSHDSACASA-N 2 0 252.322 -0.891 20 0 CBADRP C[NH+](C)CCC(=O)NCC1([NH2+]CC(=O)N2CCC2)CCC1 ZINC001447232353 913039663 /nfs/dbraw/zinc/03/96/63/913039663.db2.gz VLJNXHFLIBCCOM-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001330509522 886463160 /nfs/dbraw/zinc/46/31/60/886463160.db2.gz BVVPDVOFJHEMDV-JTQLQIEISA-N 2 0 296.375 -0.893 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001330518402 886465605 /nfs/dbraw/zinc/46/56/05/886465605.db2.gz AAWQCQLVEDHFLL-QJPTWQEYSA-N 2 0 284.404 -0.301 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC001330593534 886492566 /nfs/dbraw/zinc/49/25/66/886492566.db2.gz RANHMEMDHGMNGU-JTQLQIEISA-N 2 0 251.334 -0.249 20 0 CBADRP C[NH2+][C@@H](C)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001330591936 886493765 /nfs/dbraw/zinc/49/37/65/886493765.db2.gz LWDJFPLFPAIWQF-CMPLNLGQSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001330615355 886505006 /nfs/dbraw/zinc/50/50/06/886505006.db2.gz OHNYCLBWHJKQGL-IRWWLHRVSA-N 2 0 261.391 -0.661 20 0 CBADRP C[C@@H](NC(=O)C1([S@](C)=O)CC[NH2+]CC1)[C@H](C)[NH3+] ZINC001330615349 886506268 /nfs/dbraw/zinc/50/62/68/886506268.db2.gz OHNYCLBWHJKQGL-BTKFHORUSA-N 2 0 261.391 -0.661 20 0 CBADRP CN(CCCCCC[NH3+])C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC001330621602 886509084 /nfs/dbraw/zinc/50/90/84/886509084.db2.gz LNQRJOHRKFEVGG-GFCCVEGCSA-N 2 0 284.404 -0.168 20 0 CBADRP [NH3+]CC1(NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CCOCC1 ZINC001330626015 886509345 /nfs/dbraw/zinc/50/93/45/886509345.db2.gz VQPFIHRCIAANTB-VHSXEESVSA-N 2 0 259.325 -0.442 20 0 CBADRP O=C(N[C@H]1C[C@H](C[NH2+]CCO)C1)C12CC[NH+](CC1)C2 ZINC001330686660 886530860 /nfs/dbraw/zinc/53/08/60/886530860.db2.gz OUMUQIVKJTYBGP-HAQNSBGRSA-N 2 0 267.373 -0.441 20 0 CBADRP C[C@H]([NH2+]Cc1cn(CC(N)=O)nn1)C1CC[NH2+]CC1 ZINC001330793941 886570202 /nfs/dbraw/zinc/57/02/02/886570202.db2.gz MOGKJARXWBCKPD-VIFPVBQESA-N 2 0 266.349 -0.759 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001330870092 886607108 /nfs/dbraw/zinc/60/71/08/886607108.db2.gz JVFKJFFLPDZYRP-SDDRHHMPSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001330870091 886608444 /nfs/dbraw/zinc/60/84/44/886608444.db2.gz JVFKJFFLPDZYRP-QJPTWQEYSA-N 2 0 282.388 -0.417 20 0 CBADRP COC[C@@]1(C(=O)NCCC(C)(C)[NH3+])C[NH2+]CCO1 ZINC001330952406 886631999 /nfs/dbraw/zinc/63/19/99/886631999.db2.gz RKEQQGVLGCGWEV-GFCCVEGCSA-N 2 0 259.350 -0.765 20 0 CBADRP C[NH2+]CCNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC001331025708 886650395 /nfs/dbraw/zinc/65/03/95/886650395.db2.gz KRCSMXZCOPHDDM-SSDOTTSWSA-N 2 0 288.302 -0.301 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC001331041062 886653824 /nfs/dbraw/zinc/65/38/24/886653824.db2.gz PMJLIBLDWHOATQ-QWHCGFSZSA-N 2 0 296.415 -0.168 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NCC2C[NH2+]C2)cn1 ZINC001331039869 886654366 /nfs/dbraw/zinc/65/43/66/886654366.db2.gz CTNIPGMRDOWHJB-UHFFFAOYSA-N 2 0 251.334 -0.606 20 0 CBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001331052785 886659917 /nfs/dbraw/zinc/65/99/17/886659917.db2.gz JKCKNTKQSSEUHQ-ZJUUUORDSA-N 2 0 253.346 -0.439 20 0 CBADRP CCN(CC[NH3+])C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001331054276 886660738 /nfs/dbraw/zinc/66/07/38/886660738.db2.gz WSNWFHHXYWUGQG-SNVBAGLBSA-N 2 0 266.349 -0.377 20 0 CBADRP CN(CCC[N@H+](C)CC(N)=O)C(=O)C[NH+]1CCCC1 ZINC001447379646 913066941 /nfs/dbraw/zinc/06/69/41/913066941.db2.gz UZWFUVJAWYVWNU-UHFFFAOYSA-N 2 0 270.377 -0.652 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001331115067 886679171 /nfs/dbraw/zinc/67/91/71/886679171.db2.gz SZFOYIVLNTVQPW-CMPLNLGQSA-N 2 0 282.388 -0.417 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001331115069 886679384 /nfs/dbraw/zinc/67/93/84/886679384.db2.gz SZFOYIVLNTVQPW-PWSUYJOCSA-N 2 0 282.388 -0.417 20 0 CBADRP CN(C)C(=O)C[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001447377584 913070230 /nfs/dbraw/zinc/07/02/30/913070230.db2.gz OSRMUYUMCMMCGE-ZDUSSCGKSA-N 2 0 298.431 -0.193 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C[NH+]1CCCC1 ZINC001331184079 886717414 /nfs/dbraw/zinc/71/74/14/886717414.db2.gz DYGVXQZVMBFEJS-JHJVBQTASA-N 2 0 296.415 -0.312 20 0 CBADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]CCO)C1CC1 ZINC001331271802 886760992 /nfs/dbraw/zinc/76/09/92/886760992.db2.gz YKSMTCNTYQRLQD-STQMWFEESA-N 2 0 269.389 -0.101 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N(CC[NH3+])CC(F)(F)F ZINC001331361484 886783240 /nfs/dbraw/zinc/78/32/40/886783240.db2.gz QGWKGTYPOQJHBP-ZETCQYMHSA-N 2 0 257.256 -0.300 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001331409122 886797528 /nfs/dbraw/zinc/79/75/28/886797528.db2.gz HUAYWSUOUJSVGI-RYUDHWBXSA-N 2 0 270.377 -0.290 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001331421959 886799279 /nfs/dbraw/zinc/79/92/79/886799279.db2.gz OCNKIBYVTUFELN-UKRRQHHQSA-N 2 0 295.431 -0.135 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001331476083 886816785 /nfs/dbraw/zinc/81/67/85/886816785.db2.gz OJTAHLQZNQVYDM-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC001331474813 886817479 /nfs/dbraw/zinc/81/74/79/886817479.db2.gz LCOWMEOQKJSUQR-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC001331490681 886821034 /nfs/dbraw/zinc/82/10/34/886821034.db2.gz ZQSAWGRIPSBWGT-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP [NH3+]C1(CNC(=O)N2CCC[NH2+]CC2)CCOCC1 ZINC001331569143 886848318 /nfs/dbraw/zinc/84/83/18/886848318.db2.gz MNDAQXNARRSSSF-UHFFFAOYSA-N 2 0 256.350 -0.501 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001331572521 886851152 /nfs/dbraw/zinc/85/11/52/886851152.db2.gz BQEYHDCELJZMJQ-WRWGMCAJSA-N 2 0 282.388 -0.467 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC001331587120 886856696 /nfs/dbraw/zinc/85/66/96/886856696.db2.gz QPELBOCRFQAZDE-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCO ZINC001331617133 886868917 /nfs/dbraw/zinc/86/89/17/886868917.db2.gz SGGSMCCKENQGPR-NEPJUHHUSA-N 2 0 257.378 -0.243 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001447536144 913090845 /nfs/dbraw/zinc/09/08/45/913090845.db2.gz DYDCCSVTPFULOI-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331665433 886891704 /nfs/dbraw/zinc/89/17/04/886891704.db2.gz AJKADXQFMMNJON-AVGNSLFASA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CCO1 ZINC001331690833 886910967 /nfs/dbraw/zinc/91/09/67/886910967.db2.gz WUSRLMUFAYESNL-VLEAKVRGSA-N 2 0 259.325 -0.491 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001331689804 886911823 /nfs/dbraw/zinc/91/18/23/886911823.db2.gz OGJBSXXGWJNGIF-QJPTWQEYSA-N 2 0 255.362 -0.097 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001447534062 913094055 /nfs/dbraw/zinc/09/40/55/913094055.db2.gz BHTLOZPGLCBBRK-WDEREUQCSA-N 2 0 270.377 -0.879 20 0 CBADRP COCC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001331712912 886930352 /nfs/dbraw/zinc/93/03/52/886930352.db2.gz VVGNLDQUVUTDIT-OLZOCXBDSA-N 2 0 285.388 -0.959 20 0 CBADRP COCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001331773040 886972217 /nfs/dbraw/zinc/97/22/17/886972217.db2.gz SJROJZDRMQUZMU-VXGBXAGGSA-N 2 0 273.377 -0.816 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001331853461 887016597 /nfs/dbraw/zinc/01/65/97/887016597.db2.gz SFLKUFALJDWYIM-LBPRGKRZSA-N 2 0 282.388 -0.510 20 0 CBADRP C[N@@H+]1CCC[C@](O)(CC(=O)NCC[NH+]2CC=CC2)C1 ZINC001331932608 887051355 /nfs/dbraw/zinc/05/13/55/887051355.db2.gz YEJXALWUJGNBPX-AWEZNQCLSA-N 2 0 267.373 -0.179 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NCC2CC[NH2+]CC2)nn1 ZINC001331942908 887054022 /nfs/dbraw/zinc/05/40/22/887054022.db2.gz IAVKQNSRUGXHPA-UHFFFAOYSA-N 2 0 266.349 -0.644 20 0 CBADRP C[C@H]([NH3+])CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001331950639 887057073 /nfs/dbraw/zinc/05/70/73/887057073.db2.gz PEBTXMUQOJAUMM-INTQDDNPSA-N 2 0 266.349 -0.797 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCC[C@H](C)[NH3+])C(C)C ZINC001331956592 887060533 /nfs/dbraw/zinc/06/05/33/887060533.db2.gz AVLSOXDAUDSEHE-NSHDSACASA-N 2 0 272.393 -0.314 20 0 CBADRP C[NH+](C)CCn1cc(CN2CCC([NH3+])CC2)nn1 ZINC001332048004 887094991 /nfs/dbraw/zinc/09/49/91/887094991.db2.gz MNSHMNLVMHVWCG-UHFFFAOYSA-N 2 0 252.366 -0.237 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC001332155760 887135020 /nfs/dbraw/zinc/13/50/20/887135020.db2.gz DLFMUVHNZDAAGL-SCZZXKLOSA-N 2 0 257.334 -0.537 20 0 CBADRP C[C@@H]([NH3+])c1ccc(NC(=O)CNC(=O)C[NH3+])cc1 ZINC001332175266 887142541 /nfs/dbraw/zinc/14/25/41/887142541.db2.gz ZTKKBODZMZXLAB-MRVPVSSYSA-N 2 0 250.302 -0.280 20 0 CBADRP C[C@H]([NH3+])c1ccc(NC(=O)CNC(=O)C[NH3+])cc1 ZINC001332175269 887142788 /nfs/dbraw/zinc/14/27/88/887142788.db2.gz ZTKKBODZMZXLAB-QMMMGPOBSA-N 2 0 250.302 -0.280 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C[C@@H](C)[NH3+])CC1 ZINC001332190097 887147680 /nfs/dbraw/zinc/14/76/80/887147680.db2.gz VZWSFEQUZVOXBT-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC001332288867 887187524 /nfs/dbraw/zinc/18/75/24/887187524.db2.gz USRUFOOIPNFGMT-RNJOBUHISA-N 2 0 294.399 -0.417 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC001332366395 887230926 /nfs/dbraw/zinc/23/09/26/887230926.db2.gz ZZRAVMBYZBZXNJ-MNOVXSKESA-N 2 0 261.391 -0.250 20 0 CBADRP [NH3+]C[C@@H]1CC[N@H+](C[C@H](O)COC2CCOCC2)C1 ZINC001332365433 887230957 /nfs/dbraw/zinc/23/09/57/887230957.db2.gz SLOQNPNSKGBWLM-RYUDHWBXSA-N 2 0 258.362 -0.177 20 0 CBADRP [NH3+]CC(C[NH3+])NCC(=O)N1CCc2sccc2C1 ZINC001332365391 887231126 /nfs/dbraw/zinc/23/11/26/887231126.db2.gz RQEUHDMQFIKDEV-UHFFFAOYSA-N 2 0 268.386 -0.492 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001332390621 887248358 /nfs/dbraw/zinc/24/83/58/887248358.db2.gz HHIKNEYIMYODLE-RWMBFGLXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001332390624 887249966 /nfs/dbraw/zinc/24/99/66/887249966.db2.gz HHIKNEYIMYODLE-YNEHKIRRSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC001332393478 887258314 /nfs/dbraw/zinc/25/83/14/887258314.db2.gz HOGDAUKICNAWMI-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC001332403476 887263341 /nfs/dbraw/zinc/26/33/41/887263341.db2.gz WXCAIESKXNTWFF-HBNTYKKESA-N 2 0 263.407 -0.522 20 0 CBADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2ccnn2)C12CCC2 ZINC001332419224 887270788 /nfs/dbraw/zinc/27/07/88/887270788.db2.gz BIYYUZWYSWWEGR-AXFHLTTASA-N 2 0 251.334 -0.502 20 0 CBADRP C[C@H]1CCN(CC(=O)N2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC001332423545 887275688 /nfs/dbraw/zinc/27/56/88/887275688.db2.gz DVJBEABCTMHAPR-RYUDHWBXSA-N 2 0 254.378 -0.665 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)CCCO1 ZINC001332435690 887281548 /nfs/dbraw/zinc/28/15/48/887281548.db2.gz KBSMJBOFHPNBIG-NQBHXWOUSA-N 2 0 253.346 -0.438 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001332451944 887287348 /nfs/dbraw/zinc/28/73/48/887287348.db2.gz UKKPHHNBVUWOFQ-IJLUTSLNSA-N 2 0 255.362 -0.001 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C1CC[NH2+]CC1 ZINC001332449502 887287534 /nfs/dbraw/zinc/28/75/34/887287534.db2.gz GPLNBWLKGRQDJQ-NSHDSACASA-N 2 0 269.345 -0.651 20 0 CBADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001332451948 887288177 /nfs/dbraw/zinc/28/81/77/887288177.db2.gz UKKPHHNBVUWOFQ-SDDRHHMPSA-N 2 0 255.362 -0.001 20 0 CBADRP COCC[NH2+]CCNC(=O)C1(OC)CC[NH2+]CC1 ZINC001332452332 887290131 /nfs/dbraw/zinc/29/01/31/887290131.db2.gz MIMSGAJEDZIFCG-UHFFFAOYSA-N 2 0 259.350 -0.893 20 0 CBADRP [NH3+]CCCOCC[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC001332473742 887305025 /nfs/dbraw/zinc/30/50/25/887305025.db2.gz QBTVHTDILMILAN-LBPRGKRZSA-N 3 0 282.392 -0.342 20 0 CBADRP [NH3+]CCCOCC[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC001332473735 887305381 /nfs/dbraw/zinc/30/53/81/887305381.db2.gz QBTVHTDILMILAN-GFCCVEGCSA-N 3 0 282.392 -0.342 20 0 CBADRP C1C[NH2+][C@H](c2noc([C@]34C[NH2+]C[C@H]3COC4)n2)C1 ZINC001332537883 887346503 /nfs/dbraw/zinc/34/65/03/887346503.db2.gz HIUHVJJJYFJZLI-AUTRQRHGSA-N 2 0 250.302 -0.019 20 0 CBADRP CN(C[C@H](O)C[NH2+]CCCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001332591164 887369522 /nfs/dbraw/zinc/36/95/22/887369522.db2.gz DNCOXEHERVCCAI-QWHCGFSZSA-N 2 0 287.404 -0.881 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC001332722055 887418509 /nfs/dbraw/zinc/41/85/09/887418509.db2.gz CUXYGUBUUUGANX-NWDGAFQWSA-N 2 0 256.394 -0.277 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC001332723686 887418673 /nfs/dbraw/zinc/41/86/73/887418673.db2.gz KCJUDLMOPHUXHF-SFYZADRCSA-N 2 0 252.309 -0.636 20 0 CBADRP CO[C@]1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CCS(=O)(=O)C1 ZINC001332880953 887462493 /nfs/dbraw/zinc/46/24/93/887462493.db2.gz ZWTYGWPASDGHDX-DCAQKATOSA-N 2 0 264.391 -0.095 20 0 CBADRP CO[C@]1(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CCS(=O)(=O)C1 ZINC001332880955 887463277 /nfs/dbraw/zinc/46/32/77/887463277.db2.gz ZWTYGWPASDGHDX-MXWKQRLJSA-N 2 0 264.391 -0.095 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC001332944315 887484295 /nfs/dbraw/zinc/48/42/95/887484295.db2.gz CVHRBVRXJZAABR-ZDEQEGDKSA-N 2 0 296.415 -0.362 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC001332944135 887484683 /nfs/dbraw/zinc/48/46/83/887484683.db2.gz CVHRBVRXJZAABR-NDBYEHHHSA-N 2 0 296.415 -0.362 20 0 CBADRP [NH3+][C@H]1CC[C@@H](C(=O)N2CCOC3(C[NH2+]C3)C2)CC1 ZINC001332962288 887489831 /nfs/dbraw/zinc/48/98/31/887489831.db2.gz WGYFWCVIAYRLIE-PHIMTYICSA-N 2 0 253.346 -0.295 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001332959742 887490630 /nfs/dbraw/zinc/49/06/30/887490630.db2.gz CJGZDOFRKCDPLN-RNJOBUHISA-N 2 0 268.405 -0.088 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC001332994649 887497988 /nfs/dbraw/zinc/49/79/88/887497988.db2.gz QHGFVWQFKHAFIO-AKJDGMEZSA-N 2 0 254.378 -0.252 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001333179014 887555582 /nfs/dbraw/zinc/55/55/82/887555582.db2.gz QBJDFORCYTVBOW-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001333294428 887587223 /nfs/dbraw/zinc/58/72/23/887587223.db2.gz WKUVTLIHZWXDLQ-JSGCOSHPSA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001333361764 887611599 /nfs/dbraw/zinc/61/15/99/887611599.db2.gz RQANSZPERSTGJC-TXEJJXNPSA-N 2 0 280.372 -0.840 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC[N@@H+]1C ZINC001333378742 887616567 /nfs/dbraw/zinc/61/65/67/887616567.db2.gz GLLFUEDLEOXWLW-XQQFMLRXSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001333397329 887620666 /nfs/dbraw/zinc/62/06/66/887620666.db2.gz ICZYMZFQXHFQNE-AGIUHOORSA-N 2 0 294.399 -0.450 20 0 CBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001333404379 887625358 /nfs/dbraw/zinc/62/53/58/887625358.db2.gz NNQALUKPXRKXRN-TUAOUCFPSA-N 2 0 292.383 -0.698 20 0 CBADRP C([C@@H]1CCC2(C[NH2+]C2)O1)N1CC[NH2+]CC[NH2+]CC1 ZINC001333530164 887677466 /nfs/dbraw/zinc/67/74/66/887677466.db2.gz UXHPICUSSXGIHQ-LBPRGKRZSA-N 3 0 254.378 -0.998 20 0 CBADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC001333548011 887688153 /nfs/dbraw/zinc/68/81/53/887688153.db2.gz KTUZIIWFZGJFTK-GRYCIOLGSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC001333626091 887724206 /nfs/dbraw/zinc/72/42/06/887724206.db2.gz OGHPGUPCVLQIDT-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001333635879 887728669 /nfs/dbraw/zinc/72/86/69/887728669.db2.gz MMBMDUUXVVKLHO-OLZOCXBDSA-N 2 0 285.388 -0.687 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001333636445 887730090 /nfs/dbraw/zinc/73/00/90/887730090.db2.gz SORFBDWBAOVLLR-GMXVVIOVSA-N 2 0 253.346 -0.438 20 0 CBADRP C[C@@H](C[NH3+])C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001333656603 887738056 /nfs/dbraw/zinc/73/80/56/887738056.db2.gz GUIXUJNWHNLCTE-VIFPVBQESA-N 2 0 264.333 -0.581 20 0 CBADRP CN(Cc1nc2c(s1)C[NH2+]CC2)C[C@H](O)C[NH3+] ZINC001333671565 887739456 /nfs/dbraw/zinc/73/94/56/887739456.db2.gz KDGZRGIGTBNBPF-MRVPVSSYSA-N 2 0 256.375 -0.460 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001333881796 887796220 /nfs/dbraw/zinc/79/62/20/887796220.db2.gz BFZAKNDOQPNFGI-TXEJJXNPSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)[NH+]1CCCCC1 ZINC001333882183 887797034 /nfs/dbraw/zinc/79/70/34/887797034.db2.gz VZSQDDKJZKDARD-JHJVBQTASA-N 2 0 296.415 -0.075 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC001333884903 887799980 /nfs/dbraw/zinc/79/99/80/887799980.db2.gz QCLRZIURNHVRTH-NWDGAFQWSA-N 2 0 296.415 -0.077 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC001333884905 887800352 /nfs/dbraw/zinc/80/03/52/887800352.db2.gz QCLRZIURNHVRTH-VXGBXAGGSA-N 2 0 296.415 -0.077 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333958048 887817740 /nfs/dbraw/zinc/81/77/40/887817740.db2.gz AANQMSJSSMDWGI-XQQFMLRXSA-N 2 0 296.415 -0.170 20 0 CBADRP CNC(=O)C1([NH2+]CC2CC[NH2+]CC2)CCOCC1 ZINC001334046276 887856754 /nfs/dbraw/zinc/85/67/54/887856754.db2.gz NGBJTJPUUBXTBB-UHFFFAOYSA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001447993347 913185948 /nfs/dbraw/zinc/18/59/48/913185948.db2.gz QZBKVEJZVJNNCG-NWDGAFQWSA-N 2 0 298.431 -0.114 20 0 CBADRP [NH3+][C@@H](CC(F)F)CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001334829816 888340736 /nfs/dbraw/zinc/34/07/36/888340736.db2.gz WNGGLSWVXGYUID-QWRGUYRKSA-N 2 0 262.348 -0.052 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)C[C@H]1[NH3+] ZINC001335205785 888445629 /nfs/dbraw/zinc/44/56/29/888445629.db2.gz CQIYDTSBCCSNHG-FDYHWXHSSA-N 2 0 296.415 -0.219 20 0 CBADRP [NH3+]CCCOCCNC(=O)NC1(C[NH3+])CCOCC1 ZINC001335217487 888450297 /nfs/dbraw/zinc/45/02/97/888450297.db2.gz QKHIWFWOUUKSBK-UHFFFAOYSA-N 2 0 274.365 -0.841 20 0 CBADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCc1nnnn1C ZINC001335252481 888470990 /nfs/dbraw/zinc/47/09/90/888470990.db2.gz JARWJKOGYLGUKK-AXFHLTTASA-N 2 0 268.365 -0.515 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC001335261044 888473944 /nfs/dbraw/zinc/47/39/44/888473944.db2.gz CZLDCKIUIABWTK-STQMWFEESA-N 2 0 296.415 -0.406 20 0 CBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C1(C[NH3+])CC(O)C1 ZINC001335262175 888474089 /nfs/dbraw/zinc/47/40/89/888474089.db2.gz CGTCUIJYVCDEFA-QWKFWESOSA-N 2 0 257.378 -0.082 20 0 CBADRP C[C@H](NC(=O)C1(C[NH3+])CC(O)C1)[C@H]1CCC[NH2+]C1 ZINC001335264327 888476381 /nfs/dbraw/zinc/47/63/81/888476381.db2.gz KYHAMKDFPQSMMT-QKIYJJFGSA-N 2 0 255.362 -0.410 20 0 CBADRP CC[NH2+]CC1CCN(C(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001335266744 888476561 /nfs/dbraw/zinc/47/65/61/888476561.db2.gz ZPRREBBNYRFKSL-UHFFFAOYSA-N 2 0 269.389 -0.066 20 0 CBADRP [NH3+]C1CC(CC(=O)NCCCN2CC[NH2+]CC2)C1 ZINC001335309084 888495702 /nfs/dbraw/zinc/49/57/02/888495702.db2.gz PZWCFPTWCSRSLF-UHFFFAOYSA-N 2 0 254.378 -0.475 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCNCC[NH2+]CC1 ZINC001335350282 888512573 /nfs/dbraw/zinc/51/25/73/888512573.db2.gz GDFSJTPRRULREB-UONOGXRCSA-N 2 0 295.431 -0.182 20 0 CBADRP CC[NH+]1CCN(CCNC[C@H](O)C[NH+]2CCCC2)CC1 ZINC001335384899 888519724 /nfs/dbraw/zinc/51/97/24/888519724.db2.gz RZRIXXIIRJBVPO-HNNXBMFYSA-N 2 0 284.448 -0.330 20 0 CBADRP C[C@H](C[NH2+]CCN(C)CCC[NH+](C)C)S(C)(=O)=O ZINC001335397234 888523645 /nfs/dbraw/zinc/52/36/45/888523645.db2.gz NTYNJDXDXSXUQR-GFCCVEGCSA-N 2 0 279.450 -0.107 20 0 CBADRP C[C@H](C[NH2+]CCCN(C)CC[NH+](C)C)S(C)(=O)=O ZINC001335396907 888523707 /nfs/dbraw/zinc/52/37/07/888523707.db2.gz LDELDOBKHXXIKP-GFCCVEGCSA-N 2 0 279.450 -0.107 20 0 CBADRP CN(CCC[NH+](C)C)CC[NH2+]CCC(=O)NC(N)=O ZINC001335397216 888524012 /nfs/dbraw/zinc/52/40/12/888524012.db2.gz NNLKPICPJWBMST-UHFFFAOYSA-N 2 0 273.381 -0.956 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)NCC[NH2+]C2CC2)CC1 ZINC001335536841 888561177 /nfs/dbraw/zinc/56/11/77/888561177.db2.gz ICASRLVHJCXLMB-UHFFFAOYSA-N 2 0 269.393 -0.539 20 0 CBADRP C[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001335556449 888564329 /nfs/dbraw/zinc/56/43/29/888564329.db2.gz WLKQKIQLIFKCKU-NNYUYHANSA-N 2 0 252.362 -0.012 20 0 CBADRP [NH3+]CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001335584644 888572883 /nfs/dbraw/zinc/57/28/83/888572883.db2.gz PZJJXDGJFIXFPP-RNFRBKRXSA-N 2 0 254.256 -0.134 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001335590358 888573501 /nfs/dbraw/zinc/57/35/01/888573501.db2.gz LECRDKAKKSPGBS-LLVKDONJSA-N 2 0 258.366 -0.268 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001335621144 888586445 /nfs/dbraw/zinc/58/64/45/888586445.db2.gz CIPAHVGXOUEUIK-NQBHXWOUSA-N 2 0 252.362 -0.011 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC001335662661 888597290 /nfs/dbraw/zinc/59/72/90/888597290.db2.gz WBJBQIGERTWCHP-WDEREUQCSA-N 2 0 268.361 -0.502 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCCO1 ZINC001335707809 888608603 /nfs/dbraw/zinc/60/86/03/888608603.db2.gz ZJHPRUXELNOCHT-NOOOWODRSA-N 2 0 268.361 -0.362 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)c1cn(CCCC[NH3+])nn1 ZINC001335739906 888618337 /nfs/dbraw/zinc/61/83/37/888618337.db2.gz LZUYARLWTVJRNC-VIFPVBQESA-N 2 0 254.338 -0.516 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001335788960 888628774 /nfs/dbraw/zinc/62/87/74/888628774.db2.gz ONYHMKZGATVGQR-AVGNSLFASA-N 2 0 268.405 -0.182 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001335841231 888642909 /nfs/dbraw/zinc/64/29/09/888642909.db2.gz BHZAJGIZHUDJKL-CKIKVBCHSA-N 2 0 265.357 -0.426 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001335845616 888644478 /nfs/dbraw/zinc/64/44/78/888644478.db2.gz OVJDBSNOULJROG-WDEREUQCSA-N 2 0 255.362 -0.273 20 0 CBADRP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001336095187 888692832 /nfs/dbraw/zinc/69/28/32/888692832.db2.gz LVPXLJAVNFRCFE-OWCLPIDISA-N 3 0 294.443 -0.266 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC001336114992 888698256 /nfs/dbraw/zinc/69/82/56/888698256.db2.gz AHYUEDZFJRMHDM-LBPRGKRZSA-N 2 0 269.393 -0.539 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC001336162507 888708757 /nfs/dbraw/zinc/70/87/57/888708757.db2.gz FUHDTWUWKGQPFE-JJOYANBFSA-N 2 0 252.362 -0.025 20 0 CBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCOC2(C[NH2+]C2)C1 ZINC001336251805 888727991 /nfs/dbraw/zinc/72/79/91/888727991.db2.gz AZUKIURYKBANJA-HBNTYKKESA-N 2 0 266.345 -0.737 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001336254635 888732050 /nfs/dbraw/zinc/73/20/50/888732050.db2.gz HKFJZAJZOGFZOA-OUAUKWLOSA-N 2 0 252.362 -0.012 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2[NH2+]CC23CCOCC3)C1 ZINC001336643956 888827223 /nfs/dbraw/zinc/82/72/23/888827223.db2.gz CWPWJZBWDVJTSW-NWDGAFQWSA-N 2 0 267.373 -0.177 20 0 CBADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC001336643954 888828426 /nfs/dbraw/zinc/82/84/26/888828426.db2.gz CWPWJZBWDVJTSW-NEPJUHHUSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001336650940 888833147 /nfs/dbraw/zinc/83/31/47/888833147.db2.gz XFTAFGBUZZOBCY-VOAKCMCISA-N 2 0 296.415 -0.362 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001336686081 888845148 /nfs/dbraw/zinc/84/51/48/888845148.db2.gz ARBFTPYBMBBRRP-SNVBAGLBSA-N 2 0 268.361 -0.143 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCC(F)F)CC1 ZINC001336773822 888875919 /nfs/dbraw/zinc/87/59/19/888875919.db2.gz SVTMSOBFIVLJRW-SNVBAGLBSA-N 2 0 251.321 -0.161 20 0 CBADRP CN(C)C1(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001336785673 888878621 /nfs/dbraw/zinc/87/86/21/888878621.db2.gz RBIQIFFBHRDQDR-CYBMUJFWSA-N 2 0 270.421 -0.722 20 0 CBADRP CON(C)C(=O)CC[NH2+]CC1(O)CC[NH+](C)CC1 ZINC001336785981 888878910 /nfs/dbraw/zinc/87/89/10/888878910.db2.gz WWWBBBAJKMEOOH-UHFFFAOYSA-N 2 0 259.350 -0.557 20 0 CBADRP CN(CCC[NH+](C)C)CC[NH2+]C[C@@H](O)C1(O)CCC1 ZINC001336802060 888885677 /nfs/dbraw/zinc/88/56/77/888885677.db2.gz SLCZGDNRNXSSIN-CYBMUJFWSA-N 2 0 273.421 -0.265 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001336831141 888893130 /nfs/dbraw/zinc/89/31/30/888893130.db2.gz YCNBWABLRHHMMR-VXGBXAGGSA-N 2 0 272.393 -0.138 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCC2(CO)CCC2)CC1 ZINC001336835095 888894772 /nfs/dbraw/zinc/89/47/72/888894772.db2.gz ZWIOOJOMPFCEFY-AWEZNQCLSA-N 2 0 285.432 -0.263 20 0 CBADRP C[C@@H](NC(=O)N1CCNCC[NH2+]CC1)C1=CC[N@H+](C)CC1 ZINC001336870434 888904854 /nfs/dbraw/zinc/90/48/54/888904854.db2.gz BSIWFVCRVCMLIU-CYBMUJFWSA-N 2 0 295.431 -0.159 20 0 CBADRP C[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[C@H]1C[NH3+] ZINC001336901742 888913778 /nfs/dbraw/zinc/91/37/78/888913778.db2.gz YVONJUMAQJVWAW-LVEVGFFFSA-N 2 0 252.362 -0.170 20 0 CBADRP [NH3+]C[C@H](O)CCc1cn(CC2CC[NH2+]CC2)nn1 ZINC001336896847 888914491 /nfs/dbraw/zinc/91/44/91/888914491.db2.gz PUDYGRSLTUUQDS-GFCCVEGCSA-N 2 0 253.350 -0.470 20 0 CBADRP CC[NH2+]CCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001336905764 888916335 /nfs/dbraw/zinc/91/63/35/888916335.db2.gz IXVZWJIBGFEFFH-OLZOCXBDSA-N 2 0 284.404 -0.164 20 0 CBADRP COCC[NH2+]CCNC(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001336919305 888918620 /nfs/dbraw/zinc/91/86/20/888918620.db2.gz SDBIJWLELHXXPD-MNOVXSKESA-N 2 0 258.366 -0.623 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC001336920466 888921534 /nfs/dbraw/zinc/92/15/34/888921534.db2.gz DHQDDLSSPXDLEE-DGCLKSJQSA-N 2 0 270.377 -0.255 20 0 CBADRP CN(C(=O)NC/C=C/C[NH3+])C1(C[NH3+])CCOCC1 ZINC001336920577 888923141 /nfs/dbraw/zinc/92/31/41/888923141.db2.gz BOKQRTDEGTUKOQ-NSCUHMNNSA-N 2 0 256.350 -0.349 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)N[C@@H]3CC[NH2+]C3)C[C@]2(C)C1 ZINC001336931934 888925257 /nfs/dbraw/zinc/92/52/57/888925257.db2.gz CVCHCPPIDWDNFO-WZRBSPASSA-N 2 0 252.362 -0.059 20 0 CBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCNCC[NH2+]CC1 ZINC001336934657 888925790 /nfs/dbraw/zinc/92/57/90/888925790.db2.gz PXUYCUYQVVPXBL-GFCCVEGCSA-N 2 0 281.404 -0.667 20 0 CBADRP CCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC001337095837 888962007 /nfs/dbraw/zinc/96/20/07/888962007.db2.gz VELAGFDDYVCEAI-MNOVXSKESA-N 2 0 268.361 -0.935 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCCN(c2nccnc2C[NH3+])C1 ZINC001337208637 888976690 /nfs/dbraw/zinc/97/66/90/888976690.db2.gz TZASUWWAQNMSPP-ZDUSSCGKSA-N 2 0 265.361 -0.172 20 0 CBADRP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001448426815 913297117 /nfs/dbraw/zinc/29/71/17/913297117.db2.gz IUUGYURVVLCTFA-FVCCEPFGSA-N 2 0 296.415 -0.504 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC001337375536 888996127 /nfs/dbraw/zinc/99/61/27/888996127.db2.gz KFRCWYQRBBZBPV-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]([NH2+]CCO)[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001448462513 913299289 /nfs/dbraw/zinc/29/92/89/913299289.db2.gz RRBIBMKCNZFLKL-STQMWFEESA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001337422744 889005276 /nfs/dbraw/zinc/00/52/76/889005276.db2.gz WMMFCFPOXNCAFA-SLEUVZQESA-N 2 0 296.415 -0.489 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC001337441791 889011183 /nfs/dbraw/zinc/01/11/83/889011183.db2.gz USRUFOOIPNFGMT-LPWJVIDDSA-N 2 0 294.399 -0.417 20 0 CBADRP [NH3+][C@@H]1CCCN(Cc2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC001337621812 889055488 /nfs/dbraw/zinc/05/54/88/889055488.db2.gz YPQUDOPQYGTANC-PWSUYJOCSA-N 2 0 250.350 -0.264 20 0 CBADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC001337805641 889080480 /nfs/dbraw/zinc/08/04/80/889080480.db2.gz NQECUFULAHPVMZ-VHSXEESVSA-N 2 0 252.318 -0.192 20 0 CBADRP C[NH2+]CCCCC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC001338368237 889148499 /nfs/dbraw/zinc/14/84/99/889148499.db2.gz FYZXWYJTZPJTLS-GFCCVEGCSA-N 2 0 284.404 -0.310 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)c1ccn(CCC[NH3+])n1 ZINC001338373171 889151216 /nfs/dbraw/zinc/15/12/16/889151216.db2.gz DRXCNOGCIXIKMX-JTQLQIEISA-N 2 0 253.350 -0.040 20 0 CBADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCNCC[NH2+]CC1 ZINC001338536177 889172662 /nfs/dbraw/zinc/17/26/62/889172662.db2.gz XUVPHAVWGAIAMC-AWEZNQCLSA-N 2 0 295.431 -0.325 20 0 CBADRP O=c1ccncn1CCNC[C@@H](O)C[NH+]1CCCC1 ZINC001338549721 889173433 /nfs/dbraw/zinc/17/34/33/889173433.db2.gz HRFOKEGPHPZAAS-GFCCVEGCSA-N 2 0 266.345 -0.710 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC001338641817 889183515 /nfs/dbraw/zinc/18/35/15/889183515.db2.gz UDQDZPPKDGHACZ-AXFHLTTASA-N 2 0 258.366 -0.258 20 0 CBADRP [NH3+]C/C=C\CNC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001338642415 889183575 /nfs/dbraw/zinc/18/35/75/889183575.db2.gz ZXXYPWYVRYQIEY-BIOMNHJASA-N 2 0 282.388 -0.041 20 0 CBADRP CC[NH2+]CCCNC(=O)N1CCNCC[NH2+]CC1 ZINC001338626587 889184031 /nfs/dbraw/zinc/18/40/31/889184031.db2.gz XOSSNOYZLLMBSR-UHFFFAOYSA-N 2 0 257.382 -0.810 20 0 CBADRP C[NH2+]CCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001338627710 889184460 /nfs/dbraw/zinc/18/44/60/889184460.db2.gz XBWFJFOTFWRJRW-VXGBXAGGSA-N 2 0 270.377 -0.554 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001338640617 889184538 /nfs/dbraw/zinc/18/45/38/889184538.db2.gz HDJBYABIOBOXHV-VPOLOUISSA-N 2 0 254.334 -0.833 20 0 CBADRP C[C@H](C[NH3+])NC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001338643296 889187520 /nfs/dbraw/zinc/18/75/20/889187520.db2.gz HIJSUJVNCIPOMI-GFCCVEGCSA-N 2 0 271.409 -0.292 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001338661298 889188744 /nfs/dbraw/zinc/18/87/44/889188744.db2.gz YGRVASJKOJQKME-GVXVVHGQSA-N 2 0 268.361 -0.584 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC001338659475 889189189 /nfs/dbraw/zinc/18/91/89/889189189.db2.gz HIFRBFRHWGNZHW-QWRGUYRKSA-N 2 0 258.366 -0.386 20 0 CBADRP C[NH2+]CCN(C(=O)NCCOCCC[NH3+])C(C)C ZINC001338661015 889189340 /nfs/dbraw/zinc/18/93/40/889189340.db2.gz TUZUMGKEWYQDNZ-UHFFFAOYSA-N 2 0 260.382 -0.009 20 0 CBADRP O=C(C[NH+]1CCC(CO)CC1)NCCCN1CCOCC1 ZINC001338735718 889196793 /nfs/dbraw/zinc/19/67/93/889196793.db2.gz BVDHMOAVLRASRU-UHFFFAOYSA-N 2 0 299.415 -0.471 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001339069370 889234467 /nfs/dbraw/zinc/23/44/67/889234467.db2.gz MNUDEEHRFNFHMD-GFCCVEGCSA-N 2 0 266.389 -0.556 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC001339726612 889314381 /nfs/dbraw/zinc/31/43/81/889314381.db2.gz WSRFRIYKRLONQM-YPMHNXCESA-N 2 0 287.404 -0.441 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)C[C@@H](C)[NH2+]1 ZINC001339716147 889315545 /nfs/dbraw/zinc/31/55/45/889315545.db2.gz SRYZYEYMIAADRS-LPWJVIDDSA-N 2 0 266.389 -0.417 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)NCCCC[NH+]1CCOCC1 ZINC001340042507 889369905 /nfs/dbraw/zinc/36/99/05/889369905.db2.gz ZPFCOCKYFXWVFR-OAHLLOKOSA-N 2 0 299.415 -0.280 20 0 CBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]([NH3+])CO)C1 ZINC001340041183 889370312 /nfs/dbraw/zinc/37/03/12/889370312.db2.gz GLRWYIRKZLBUNV-IJLUTSLNSA-N 2 0 257.378 -0.210 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC001340127435 889388162 /nfs/dbraw/zinc/38/81/62/889388162.db2.gz CTHUGFQXHYWUCN-WCQYABFASA-N 2 0 254.378 -0.604 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001448659162 913340946 /nfs/dbraw/zinc/34/09/46/913340946.db2.gz QTSVPRQFRVXCOU-AAEUAGOBSA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@]1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[C@H](O)C[NH2+]1 ZINC001340189921 889404857 /nfs/dbraw/zinc/40/48/57/889404857.db2.gz GAOQOCCVZHOOEG-XHVZSJERSA-N 2 0 253.346 -0.548 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001340199268 889408120 /nfs/dbraw/zinc/40/81/20/889408120.db2.gz FPHGGYZABYTICT-DGCLKSJQSA-N 2 0 257.378 -0.053 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001340205515 889408907 /nfs/dbraw/zinc/40/89/07/889408907.db2.gz MFHCGAZODNOTSJ-AVGNSLFASA-N 2 0 269.389 -0.101 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001340239809 889413942 /nfs/dbraw/zinc/41/39/42/889413942.db2.gz CCCSRBVJXLRFPO-SCRDCRAPSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)C[N@@H+]1C1CC1 ZINC001340242652 889414664 /nfs/dbraw/zinc/41/46/64/889414664.db2.gz VIZUEEFQSSZUJX-ATZCPNFKSA-N 2 0 255.362 -0.174 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@@H]([NH3+])C(C)(C)O)CC1 ZINC001340242707 889415395 /nfs/dbraw/zinc/41/53/95/889415395.db2.gz WPIKWLLQKMWUSU-GFCCVEGCSA-N 2 0 286.420 -0.772 20 0 CBADRP CC(C)[C@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC[NH2+]1 ZINC001340280283 889416506 /nfs/dbraw/zinc/41/65/06/889416506.db2.gz FSFVMPJCCZPHCO-LOWVWBTDSA-N 2 0 255.362 -0.444 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC001340281714 889417278 /nfs/dbraw/zinc/41/72/78/889417278.db2.gz HXCXIXUNLHSDQW-RYUDHWBXSA-N 2 0 254.378 -0.523 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@@H]1CC12CC[NH2+]CC2 ZINC001340300003 889420014 /nfs/dbraw/zinc/42/00/14/889420014.db2.gz RCDCLNJHQAKVNL-BXUZGUMPSA-N 2 0 267.373 -0.251 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C1=O ZINC001340301330 889420020 /nfs/dbraw/zinc/42/00/20/889420020.db2.gz WDBYLBUURYDDIX-RWMBFGLXSA-N 2 0 294.399 -0.606 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC001340295898 889420180 /nfs/dbraw/zinc/42/01/80/889420180.db2.gz DUMSUBIKKQEHAC-RWMBFGLXSA-N 2 0 263.341 -0.351 20 0 CBADRP [NH3+]CCNCC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC001340298709 889420401 /nfs/dbraw/zinc/42/04/01/889420401.db2.gz WRVLYWNEDOBOHB-UHFFFAOYSA-N 2 0 266.320 -0.042 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@@H]1CC12CC[NH2+]CC2 ZINC001340300005 889420480 /nfs/dbraw/zinc/42/04/80/889420480.db2.gz RCDCLNJHQAKVNL-RISCZKNCSA-N 2 0 267.373 -0.251 20 0 CBADRP C[C@]1(C(=O)N[C@H]2C[NH2+]CCC2(F)F)C[C@H](O)C[NH2+]1 ZINC001340313137 889422121 /nfs/dbraw/zinc/42/21/21/889422121.db2.gz QGSMWSLVVRSVKR-OYNCUSHFSA-N 2 0 263.288 -0.787 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001340399974 889430167 /nfs/dbraw/zinc/43/01/67/889430167.db2.gz NFRCVVMSRBFPPD-BBBLOLIVSA-N 2 0 259.375 -0.686 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001340527628 889442561 /nfs/dbraw/zinc/44/25/61/889442561.db2.gz QVCNLSHYLFNRFA-FIQHERPVSA-N 2 0 254.378 -0.383 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC001340542208 889445246 /nfs/dbraw/zinc/44/52/46/889445246.db2.gz VYFPNNABAVELFG-AAEUAGOBSA-N 2 0 287.404 -0.570 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001340572393 889449022 /nfs/dbraw/zinc/44/90/22/889449022.db2.gz JWUATJSGBJQIIQ-FRRDWIJNSA-N 2 0 296.415 -0.360 20 0 CBADRP O=C(NCC1(O)C[NH2+]C1)[C@H]1C[NH2+]Cc2ccccc21 ZINC001340594480 889451755 /nfs/dbraw/zinc/45/17/55/889451755.db2.gz KRFYUHQBRMSCKA-LBPRGKRZSA-N 2 0 261.325 -0.676 20 0 CBADRP [NH3+][C@H](C(=O)NCC1(O)C[NH2+]C1)c1cccc(Cl)c1 ZINC001340596853 889451787 /nfs/dbraw/zinc/45/17/87/889451787.db2.gz UGIYHWHYRCMAFY-JTQLQIEISA-N 2 0 269.732 -0.210 20 0 CBADRP [NH3+][C@@H](CC(=O)NCC1(O)C[NH2+]C1)Cc1ccccc1 ZINC001340594143 889452466 /nfs/dbraw/zinc/45/24/66/889452466.db2.gz JRVNERGPUXFIRZ-GFCCVEGCSA-N 2 0 263.341 -0.603 20 0 CBADRP [NH3+]C1(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CCCCC1 ZINC001340615528 889454938 /nfs/dbraw/zinc/45/49/38/889454938.db2.gz OZEWHRALWUUJTI-JTQLQIEISA-N 2 0 253.346 -0.105 20 0 CBADRP [NH3+][C@@H]1C[C@H](C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)[C@H]2C[C@H]21 ZINC001340617432 889457952 /nfs/dbraw/zinc/45/79/52/889457952.db2.gz XNSKCAJPVNFOEY-QUARPLMYSA-N 2 0 251.330 -0.783 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)[NH+]1CCCCC1 ZINC001340658669 889461475 /nfs/dbraw/zinc/46/14/75/889461475.db2.gz CIXGDCLIIDPLAE-AGIUHOORSA-N 2 0 269.389 -0.054 20 0 CBADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H]1C[NH2+]C[C@H]1O ZINC001340661496 889462921 /nfs/dbraw/zinc/46/29/21/889462921.db2.gz POVMXGCYONJFHR-OLSMOAAXSA-N 2 0 253.346 -0.644 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001340673253 889464133 /nfs/dbraw/zinc/46/41/33/889464133.db2.gz GPQUSDRZMYJQMN-CWSCBRNRSA-N 2 0 255.362 -0.328 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCC(C)(C)C[NH+](C)C ZINC001340774698 889483764 /nfs/dbraw/zinc/48/37/64/889483764.db2.gz TWRDDWUTIFEAEL-WDEREUQCSA-N 2 0 259.394 -0.093 20 0 CBADRP [NH3+][C@H](CO)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC001340717630 889470841 /nfs/dbraw/zinc/47/08/41/889470841.db2.gz ITUXYBQBDWYSKM-SNVBAGLBSA-N 2 0 251.286 -0.573 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340736452 889476652 /nfs/dbraw/zinc/47/66/52/889476652.db2.gz SHVIMIUONDVKTG-VIFPVBQESA-N 2 0 254.334 -0.310 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001448687811 913350406 /nfs/dbraw/zinc/35/04/06/913350406.db2.gz WBZDPBPKKMCHAP-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)C1=O ZINC001340795561 889486894 /nfs/dbraw/zinc/48/68/94/889486894.db2.gz HQFGUDDQFVWJRE-RWMBFGLXSA-N 2 0 294.399 -0.463 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC001340807086 889490719 /nfs/dbraw/zinc/49/07/19/889490719.db2.gz GKZMVJVDYPPPCA-RYUDHWBXSA-N 2 0 255.362 -0.190 20 0 CBADRP C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001448687805 913351019 /nfs/dbraw/zinc/35/10/19/913351019.db2.gz WBZDPBPKKMCHAP-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])CO)CC[C@@H]1C(F)(F)F ZINC001340827483 889492808 /nfs/dbraw/zinc/49/28/08/889492808.db2.gz SSJJHJCIQOFJTK-GJMOJQLCSA-N 2 0 269.267 -0.708 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC001340821956 889493255 /nfs/dbraw/zinc/49/32/55/889493255.db2.gz FMECOLWXHQIHRH-ZYHUDNBSSA-N 2 0 255.362 -0.192 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@H]1CC[NH2+]C12CCC2 ZINC001340825579 889493379 /nfs/dbraw/zinc/49/33/79/889493379.db2.gz KVYIIBYXGQNINS-AAEUAGOBSA-N 2 0 267.373 -0.108 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C[C@]1(O)CCC[NH2+]C1)C2 ZINC001340821979 889493403 /nfs/dbraw/zinc/49/34/03/889493403.db2.gz HQVYFZNYFLRRLK-IACUBPJLSA-N 2 0 267.373 -0.441 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC001340839532 889495060 /nfs/dbraw/zinc/49/50/60/889495060.db2.gz TVBQGZSHZGSNIK-MNOVXSKESA-N 2 0 257.378 -0.245 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001340837714 889495802 /nfs/dbraw/zinc/49/58/02/889495802.db2.gz BRHXKWLXFNUAPH-VXGBXAGGSA-N 2 0 255.362 -0.217 20 0 CBADRP C[NH2+]C1CC(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC001340852576 889497868 /nfs/dbraw/zinc/49/78/68/889497868.db2.gz HZTNDLVSDVDMQV-MOENNCHZSA-N 2 0 255.362 -0.179 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001340852586 889498119 /nfs/dbraw/zinc/49/81/19/889498119.db2.gz IBHDZRPGJFATSS-UHTWSYAYSA-N 2 0 269.389 -0.197 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC001340854261 889498179 /nfs/dbraw/zinc/49/81/79/889498179.db2.gz PYUNLROBVJKQBL-NDBYEHHHSA-N 2 0 267.373 -0.321 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001340847263 889498207 /nfs/dbraw/zinc/49/82/07/889498207.db2.gz YPOQQWACOSRNSH-GMXVVIOVSA-N 2 0 257.378 -0.054 20 0 CBADRP O=C(C1CC[NH+](C2CC2)CC1)N1CC[NH2+]C[C@H]1CO ZINC001340847393 889498477 /nfs/dbraw/zinc/49/84/77/889498477.db2.gz NUOVBTXOZWFGMT-ZDUSSCGKSA-N 2 0 267.373 -0.347 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)CNCC[NH3+])CC1 ZINC001340853685 889498511 /nfs/dbraw/zinc/49/85/11/889498511.db2.gz PBMAUDQVGXZKKY-UHFFFAOYSA-N 2 0 272.393 -0.848 20 0 CBADRP C[NH2+]C1(C(=O)N2CCC[C@H]([NH2+]CCO)C2)CCC1 ZINC001340868152 889500369 /nfs/dbraw/zinc/50/03/69/889500369.db2.gz TUFFTCHBYQBDDA-NSHDSACASA-N 2 0 255.362 -0.299 20 0 CBADRP C[C@]1(C(=O)N2CCCCC[C@H]([NH3+])C2)C[C@@H](O)C[NH2+]1 ZINC001340876178 889503766 /nfs/dbraw/zinc/50/37/66/889503766.db2.gz LXLDPGFODHGWGH-DMDPSCGWSA-N 2 0 255.362 -0.171 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1C2CCC1(C[NH3+])CC2 ZINC001340887077 889506841 /nfs/dbraw/zinc/50/68/41/889506841.db2.gz MOSQLJZOISHNRH-QWKFWESOSA-N 2 0 252.362 -0.628 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001340891894 889507247 /nfs/dbraw/zinc/50/72/47/889507247.db2.gz BZPJKAQGEGNZNL-SDDRHHMPSA-N 2 0 252.362 -0.805 20 0 CBADRP O=C([C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001340900672 889509879 /nfs/dbraw/zinc/50/98/79/889509879.db2.gz MROGAZQBWDWLKW-WTBMIXGQSA-N 2 0 264.329 -0.878 20 0 CBADRP [NH3+][C@@H](CNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2)C1CC1 ZINC001340906972 889510880 /nfs/dbraw/zinc/51/08/80/889510880.db2.gz OQTKGGFEPLPHHB-GXFFZTMASA-N 2 0 266.345 -0.262 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)C(C)(C)[NH3+])C2 ZINC001340920072 889512435 /nfs/dbraw/zinc/51/24/35/889512435.db2.gz HTDQDOIVYANEHH-RWEMILLDSA-N 2 0 269.345 -0.537 20 0 CBADRP [NH3+]CCNCC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001340917277 889514221 /nfs/dbraw/zinc/51/42/21/889514221.db2.gz ZDEPDIZZOGUTNK-UHFFFAOYSA-N 2 0 254.378 -0.473 20 0 CBADRP [NH3+]C1CC(CC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC001340928616 889515654 /nfs/dbraw/zinc/51/56/54/889515654.db2.gz HPECREQCJFDWOP-BPCQOVAHSA-N 2 0 266.389 -0.380 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC001340945389 889518761 /nfs/dbraw/zinc/51/87/61/889518761.db2.gz RHBOTXZTIAWMOF-XHNCKOQMSA-N 2 0 265.304 -0.684 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC001340942966 889519527 /nfs/dbraw/zinc/51/95/27/889519527.db2.gz GKWCLFYYIYWTOJ-GHMZBOCLSA-N 2 0 254.378 -0.606 20 0 CBADRP CSCC[C@H]([NH3+])CC(=O)N1CC[NH2+]C[C@H]1CO ZINC001340952493 889523813 /nfs/dbraw/zinc/52/38/13/889523813.db2.gz JDWSRCMJQHHTQK-UWVGGRQHSA-N 2 0 261.391 -0.750 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001341098976 889542307 /nfs/dbraw/zinc/54/23/07/889542307.db2.gz CEFQKEYSXDDDIF-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP O=C(N1CCNCC[NH2+]CC1)C12CCC[NH+]1CCC2 ZINC001341100199 889542333 /nfs/dbraw/zinc/54/23/33/889542333.db2.gz RRKQCYNIFYUJEJ-UHFFFAOYSA-N 2 0 266.389 -0.364 20 0 CBADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001341099429 889542921 /nfs/dbraw/zinc/54/29/21/889542921.db2.gz HDNVUDMYFITLLR-QWHCGFSZSA-N 2 0 268.405 -0.085 20 0 CBADRP CC[C@@]1(C(=O)N2CCC[C@]([NH3+])(CO)C2)CC[NH2+]C1 ZINC001341115808 889545820 /nfs/dbraw/zinc/54/58/20/889545820.db2.gz JNZJTLFAPXAEMY-CHWSQXEVSA-N 2 0 255.362 -0.312 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001448722643 913357297 /nfs/dbraw/zinc/35/72/97/913357297.db2.gz STJDDIKMZXTNLO-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001341124049 889547455 /nfs/dbraw/zinc/54/74/55/889547455.db2.gz SMQOIDSGMPQUNV-RHYQMDGZSA-N 2 0 257.378 -0.354 20 0 CBADRP CCO[C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)C[NH+](C)C ZINC001341172547 889553907 /nfs/dbraw/zinc/55/39/07/889553907.db2.gz KQBHMZJVARFQEG-QWRGUYRKSA-N 2 0 259.350 -0.942 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC(=O)N1CCC1 ZINC001448718322 913358409 /nfs/dbraw/zinc/35/84/09/913358409.db2.gz LIVYBPRNSWYHGI-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+][C@@H]1CCNC1=O ZINC001448721410 913358663 /nfs/dbraw/zinc/35/86/63/913358663.db2.gz RXBXDMOHOWVNPT-WCQYABFASA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH+]1CCC(C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC001341240762 889562816 /nfs/dbraw/zinc/56/28/16/889562816.db2.gz WFJZIGHFDDWNQJ-ZDUSSCGKSA-N 2 0 255.362 -0.360 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@H]1CCCC[NH2+]1 ZINC001341243730 889564916 /nfs/dbraw/zinc/56/49/16/889564916.db2.gz KABLGVWUSBJMSU-JHJVBQTASA-N 2 0 266.389 -0.367 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)C1 ZINC001341241227 889565906 /nfs/dbraw/zinc/56/59/06/889565906.db2.gz YZNVKKMLFIAMMU-SMDDNHRTSA-N 2 0 267.373 -0.312 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)[C@H]2CC23CC[NH2+]CC3)C1 ZINC001341241226 889566622 /nfs/dbraw/zinc/56/66/22/889566622.db2.gz YZNVKKMLFIAMMU-RISCZKNCSA-N 2 0 267.373 -0.312 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001341319674 889574575 /nfs/dbraw/zinc/57/45/75/889574575.db2.gz VIPSYDNWABMGEG-SCRDCRAPSA-N 2 0 269.389 -0.053 20 0 CBADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC001341346862 889580159 /nfs/dbraw/zinc/58/01/59/889580159.db2.gz JTGJYFZKCBZHGX-JHJVBQTASA-N 2 0 261.325 -0.284 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@H]1C[C@]12CC[NH2+]C2 ZINC001341370093 889582563 /nfs/dbraw/zinc/58/25/63/889582563.db2.gz VSDYGPHHRXQWOI-UMNHJUIQSA-N 2 0 251.330 -0.767 20 0 CBADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001341365691 889583929 /nfs/dbraw/zinc/58/39/29/889583929.db2.gz CPWRSNJPPSNLAB-QWRGUYRKSA-N 2 0 255.362 -0.003 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001341370003 889584054 /nfs/dbraw/zinc/58/40/54/889584054.db2.gz UZEYUCLMTXVTQY-MNOVXSKESA-N 2 0 255.362 -0.132 20 0 CBADRP C[C@H]1[NH2+]CCn2c(C(=O)NC[C@H](O)C[NH3+])ccc21 ZINC001341382578 889585731 /nfs/dbraw/zinc/58/57/31/889585731.db2.gz IIOXSKRQGXXCFW-RKDXNWHRSA-N 2 0 252.318 -0.798 20 0 CBADRP CN1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC[N@H+](C)CC1 ZINC001341394744 889590221 /nfs/dbraw/zinc/59/02/21/889590221.db2.gz DKPJDFFXSAIJNW-ZDUSSCGKSA-N 2 0 266.389 -0.260 20 0 CBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@]12C[NH2+]C[C@H]1COC2 ZINC001341418173 889592135 /nfs/dbraw/zinc/59/21/35/889592135.db2.gz GPTFMGJKPYTFCP-ONYIWYLUSA-N 2 0 251.330 -0.769 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC001341467070 889600976 /nfs/dbraw/zinc/60/09/76/889600976.db2.gz QWPNJQWKLRMNMO-GXFFZTMASA-N 2 0 255.362 -0.144 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001341477471 889603956 /nfs/dbraw/zinc/60/39/56/889603956.db2.gz NSQDURLDZSRJDJ-QWRGUYRKSA-N 2 0 255.362 -0.443 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)CC1(C[NH3+])CC1 ZINC001341470550 889603673 /nfs/dbraw/zinc/60/36/73/889603673.db2.gz XBXLEYTWHMLEFA-LLVKDONJSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CCCCC[C@H]([NH3+])C2)C1=O ZINC001341494052 889606090 /nfs/dbraw/zinc/60/60/90/889606090.db2.gz XNBFLCNHRWQNBQ-QWHCGFSZSA-N 2 0 296.415 -0.086 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001341490143 889606160 /nfs/dbraw/zinc/60/61/60/889606160.db2.gz YQPMTJGBVJOQMQ-OPQQBVKSSA-N 2 0 266.345 -0.249 20 0 CBADRP C[C@@]1(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C[C@@H](O)C[NH2+]1 ZINC001341508815 889608667 /nfs/dbraw/zinc/60/86/67/889608667.db2.gz OUZVOCJFCOEEMV-UZWSLXQKSA-N 2 0 255.362 -0.267 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C[NH+]1CCC(CO)CC1 ZINC001341509269 889609847 /nfs/dbraw/zinc/60/98/47/889609847.db2.gz SEQIRUSDFSLPQL-JQWIXIFHSA-N 2 0 255.362 -0.361 20 0 CBADRP CN1CCN(C(=O)C(C)(C)C[NH3+])CC[N@H+](C)CC1 ZINC001341511098 889612522 /nfs/dbraw/zinc/61/25/22/889612522.db2.gz AYZULVGDYDSIPG-UHFFFAOYSA-N 2 0 256.394 -0.323 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001341525117 889614401 /nfs/dbraw/zinc/61/44/01/889614401.db2.gz JAHQYDOXBTXFPI-KKFJDGPESA-N 2 0 266.345 -0.645 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)n1 ZINC001341536560 889617723 /nfs/dbraw/zinc/61/77/23/889617723.db2.gz PWOWAFBUEYOJGZ-HOSYDEDBSA-N 2 0 263.345 -0.145 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2C[C@H]([NH3+])C23CCC3)CC[NH2+]C1 ZINC001341550190 889620405 /nfs/dbraw/zinc/62/04/05/889620405.db2.gz AEIRBKRMGKUSPL-GVXVVHGQSA-N 2 0 267.373 -0.001 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC001341553930 889622812 /nfs/dbraw/zinc/62/28/12/889622812.db2.gz RILLCKIIXPYQTM-OUAUKWLOSA-N 2 0 252.362 -0.724 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC001341560078 889623461 /nfs/dbraw/zinc/62/34/61/889623461.db2.gz QVYNOJOPJVQXEG-GUBZILKMSA-N 2 0 263.345 -0.046 20 0 CBADRP [NH3+]CCNCC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC001341564883 889624091 /nfs/dbraw/zinc/62/40/91/889624091.db2.gz QGJSYDXWJDVPLT-JGVFFNPUSA-N 2 0 268.283 -0.870 20 0 CBADRP CC[N@H+](CCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1)C1CC1 ZINC001341584950 889628584 /nfs/dbraw/zinc/62/85/84/889628584.db2.gz KLJPNTQFBPVGOM-AAEUAGOBSA-N 2 0 255.362 -0.300 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001341585007 889628665 /nfs/dbraw/zinc/62/86/65/889628665.db2.gz LMTCPCXVHRAZPR-UPJWGTAASA-N 2 0 296.415 -0.360 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001341622002 889633613 /nfs/dbraw/zinc/63/36/13/889633613.db2.gz DRPYXKUVPOWUKS-WCQYABFASA-N 2 0 255.362 -0.312 20 0 CBADRP [NH3+]CCNCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001341616752 889634403 /nfs/dbraw/zinc/63/44/03/889634403.db2.gz BCUNYVAFMDLNPF-ZDUSSCGKSA-N 2 0 268.405 -0.131 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001341630265 889636562 /nfs/dbraw/zinc/63/65/62/889636562.db2.gz AYLWLKXJDNJQEI-GWCFXTLKSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC001341653690 889639259 /nfs/dbraw/zinc/63/92/59/889639259.db2.gz WZUMJAINZUAXQT-WISYIIOYSA-N 2 0 255.362 -0.288 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)C[C@@H](O)C[NH3+])C[C@@H](C)O1 ZINC001341645441 889640040 /nfs/dbraw/zinc/64/00/40/889640040.db2.gz ZITCJBQVEQTKQV-IJLUTSLNSA-N 2 0 273.377 -0.688 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C1(C[NH3+])CC(O)C1 ZINC001341663450 889642808 /nfs/dbraw/zinc/64/28/08/889642808.db2.gz JZNBMZJTHMLERS-IXYVEGFRSA-N 2 0 255.362 -0.552 20 0 CBADRP C[NH+](C)CCNC(=O)c1cc2n(n1)CCC[C@H]2[NH3+] ZINC001341673337 889645026 /nfs/dbraw/zinc/64/50/26/889645026.db2.gz CQVASWLVGFEBCM-SECBINFHSA-N 2 0 251.334 -0.032 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001341688775 889648393 /nfs/dbraw/zinc/64/83/93/889648393.db2.gz LCVMEWQUXRGUQA-RNJOBUHISA-N 2 0 264.373 -0.805 20 0 CBADRP CCC[NH2+][C@@H](C)C(=O)NCCN1CCC([NH3+])CC1 ZINC001341691008 889648835 /nfs/dbraw/zinc/64/88/35/889648835.db2.gz UDYWYPHICPXUNS-NSHDSACASA-N 2 0 256.394 -0.086 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC001341689867 889649084 /nfs/dbraw/zinc/64/90/84/889649084.db2.gz SAWNRYRNPRPYFH-OUCADQQQSA-N 2 0 267.373 -0.299 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)NCCC[C@@H]2CCC[NH2+]2)C1=O ZINC001341688792 889649966 /nfs/dbraw/zinc/64/99/66/889649966.db2.gz LRVFJFIIORDGOZ-STQMWFEESA-N 2 0 296.415 -0.168 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC001341683749 889650054 /nfs/dbraw/zinc/65/00/54/889650054.db2.gz IXSKSHAUCSTYJT-SRVKXCTJSA-N 2 0 257.378 -0.245 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001341715280 889651252 /nfs/dbraw/zinc/65/12/52/889651252.db2.gz SXVLXFVYCLYXSE-DGCLKSJQSA-N 2 0 273.377 -0.816 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001341708179 889651488 /nfs/dbraw/zinc/65/14/88/889651488.db2.gz HEKHLAQTGOGDJX-DTWKUNHWSA-N 2 0 283.294 -0.040 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@@H]([NH3+])C1CC1 ZINC001341734513 889653880 /nfs/dbraw/zinc/65/38/80/889653880.db2.gz VQCFTDSXTKRHLM-YUSALJHKSA-N 2 0 252.362 -0.772 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCC([NH+](C)C)CC1 ZINC001341733376 889655140 /nfs/dbraw/zinc/65/51/40/889655140.db2.gz OQAQJIJSZRCEMO-PWSUYJOCSA-N 2 0 257.378 -0.245 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC001341747371 889657086 /nfs/dbraw/zinc/65/70/86/889657086.db2.gz GOHYXWMUZZGHHK-KXUCPTDWSA-N 2 0 257.334 -0.524 20 0 CBADRP CC[C@@H]1CN(C(=O)C2(C[NH3+])CC(O)C2)CC[C@H]1[NH3+] ZINC001341769093 889660071 /nfs/dbraw/zinc/66/00/71/889660071.db2.gz ZNNVTMVYDLIEQK-YLXHPXFOSA-N 2 0 255.362 -0.328 20 0 CBADRP C[NH+](C)CCCOC1CCN(C(=O)[C@H]([NH3+])CO)CC1 ZINC001341760421 889660013 /nfs/dbraw/zinc/66/00/13/889660013.db2.gz JFUDDAZSWODWAF-GFCCVEGCSA-N 2 0 273.377 -0.735 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001341776509 889660028 /nfs/dbraw/zinc/66/00/28/889660028.db2.gz POUPFYXOWAWMJK-DGCLKSJQSA-N 2 0 255.362 -0.348 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001341763557 889660044 /nfs/dbraw/zinc/66/00/44/889660044.db2.gz FERKXJMUGONKQX-WOPDTQHZSA-N 2 0 254.378 -0.511 20 0 CBADRP [NH3+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001341785379 889663887 /nfs/dbraw/zinc/66/38/87/889663887.db2.gz BSDAVAHIBGAVGR-QWHCGFSZSA-N 2 0 296.415 -0.086 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001341806954 889665184 /nfs/dbraw/zinc/66/51/84/889665184.db2.gz CQEYMKDNOFKUBE-SNVBAGLBSA-N 2 0 255.362 -0.036 20 0 CBADRP CN(C(=O)C[C@]1(O)CCC[NH2+]C1)C1(C[NH3+])CCC1 ZINC001341796423 889666479 /nfs/dbraw/zinc/66/64/79/889666479.db2.gz KLISISBCASVXIH-CYBMUJFWSA-N 2 0 255.362 -0.169 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001341795408 889666529 /nfs/dbraw/zinc/66/65/29/889666529.db2.gz IJUBSUQVWTYJIX-NQBHXWOUSA-N 2 0 255.362 -0.265 20 0 CBADRP CCO[C@@H](CNC(=O)[C@H]([NH3+])CCOC)C[NH+](C)C ZINC001341798382 889666658 /nfs/dbraw/zinc/66/66/58/889666658.db2.gz XJLZUTQRSNQVQW-WDEREUQCSA-N 2 0 261.366 -0.567 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001341823566 889668599 /nfs/dbraw/zinc/66/85/99/889668599.db2.gz PULCKCCLJMWMIO-AWEZNQCLSA-N 2 0 297.447 -0.918 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001341840732 889670906 /nfs/dbraw/zinc/67/09/06/889670906.db2.gz QUZYYLCSEDCAIK-XCUNLHGCSA-N 2 0 266.389 -0.581 20 0 CBADRP C[C@H]1[NH2+]CCn2c(C(=O)N3CCNCC[NH2+]CC3)ccc21 ZINC001341840687 889672044 /nfs/dbraw/zinc/67/20/44/889672044.db2.gz QPGVTZTVTVPINY-GFCCVEGCSA-N 2 0 291.399 -0.213 20 0 CBADRP C[C@]1(C(=O)N2CCC[C@]([NH3+])(CO)C2)CCC[NH2+]C1 ZINC001341858982 889676351 /nfs/dbraw/zinc/67/63/51/889676351.db2.gz NPSHBJITQSPXBR-QWHCGFSZSA-N 2 0 255.362 -0.312 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC001341858951 889677036 /nfs/dbraw/zinc/67/70/36/889677036.db2.gz NKJUSPRWPLCVQX-WCQYABFASA-N 2 0 255.362 -0.169 20 0 CBADRP C[C@@]1(C(=O)N2CCC[C@]([NH3+])(CO)C2)CCC[NH2+]C1 ZINC001341858979 889677149 /nfs/dbraw/zinc/67/71/49/889677149.db2.gz NPSHBJITQSPXBR-CHWSQXEVSA-N 2 0 255.362 -0.312 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001341940483 889686375 /nfs/dbraw/zinc/68/63/75/889686375.db2.gz KDLKGHGLGJHMFG-IJLUTSLNSA-N 2 0 256.394 -0.280 20 0 CBADRP O=C(C[NH2+]CC1CC1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001341966927 889692031 /nfs/dbraw/zinc/69/20/31/889692031.db2.gz QVCSEOJBQWGGON-UHFFFAOYSA-N 2 0 267.373 -0.033 20 0 CBADRP C[C@]1(C(=O)N2CCC3(CC[NH2+]3)CC2)C[C@H](O)C[NH2+]1 ZINC001341975949 889692297 /nfs/dbraw/zinc/69/22/97/889692297.db2.gz RPKBQIBAKDMDIE-CMPLNLGQSA-N 2 0 253.346 -0.546 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)C[C@H](O)C[NH3+])cn1 ZINC001342010436 889697194 /nfs/dbraw/zinc/69/71/94/889697194.db2.gz BMCQRNGAHOGGSN-JTQLQIEISA-N 2 0 255.322 -0.907 20 0 CBADRP C[C@H](NC(=O)C[NH2+]CC1CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001342036606 889702146 /nfs/dbraw/zinc/70/21/46/889702146.db2.gz QSKUNWDYAVLHDO-AAEUAGOBSA-N 2 0 268.405 -0.264 20 0 CBADRP [NH3+]C1(CNC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC001342058887 889705173 /nfs/dbraw/zinc/70/51/73/889705173.db2.gz RJSRSOORKDPQTK-GFCCVEGCSA-N 2 0 252.318 -0.508 20 0 CBADRP [NH3+]C1(CNC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)CC1 ZINC001342058904 889704969 /nfs/dbraw/zinc/70/49/69/889704969.db2.gz RJSRSOORKDPQTK-LBPRGKRZSA-N 2 0 252.318 -0.508 20 0 CBADRP O=C(N[C@H]1C[NH2+]CC12CC2)c1[nH]nc2c1C[NH2+]CC2 ZINC001342098622 889710450 /nfs/dbraw/zinc/71/04/50/889710450.db2.gz JWGDKYSHEDRQMK-JTQLQIEISA-N 2 0 261.329 -0.463 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC1([NH3+])CCCC1 ZINC001342128269 889718022 /nfs/dbraw/zinc/71/80/22/889718022.db2.gz ZQONAXFCUIWRNF-NWDGAFQWSA-N 2 0 266.389 -0.238 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001342187816 889729039 /nfs/dbraw/zinc/72/90/39/889729039.db2.gz OWYBQXYWXLAAJY-LNSPPBFMSA-N 2 0 253.346 -0.238 20 0 CBADRP O=C(NCC1(O)C[NH2+]C1)[C@@H]1[NH2+]CCc2ccccc21 ZINC001342190439 889729622 /nfs/dbraw/zinc/72/96/22/889729622.db2.gz LYOZJPQAUXGWIG-GFCCVEGCSA-N 2 0 261.325 -0.676 20 0 CBADRP CCN(C(=O)[C@H](N)CC[NH+](C)C)C1CC[NH2+]CC1 ZINC001342187088 889729905 /nfs/dbraw/zinc/72/99/05/889729905.db2.gz GLMMKZVHFGIGLI-GFCCVEGCSA-N 2 0 256.394 -0.134 20 0 CBADRP O=C(N[C@H]1COC2(C[NH2+]C2)C1)[C@H]1[NH2+]CC12CCCC2 ZINC001342214878 889732037 /nfs/dbraw/zinc/73/20/37/889732037.db2.gz HTBLTTVCHDLPFG-GHMZBOCLSA-N 2 0 265.357 -0.234 20 0 CBADRP C[C@@H]1C[C@H](C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC001342215812 889732698 /nfs/dbraw/zinc/73/26/98/889732698.db2.gz PNMGXVNIYAYGSW-MXWKQRLJSA-N 2 0 253.346 -0.378 20 0 CBADRP O=C(N1CCC[C@H]([NH2+]CCO)C1)C12CCC(CC1)[NH2+]2 ZINC001342248951 889738257 /nfs/dbraw/zinc/73/82/57/889738257.db2.gz JOCZTMNKRIGFHO-LXVYMNJGSA-N 2 0 267.373 -0.156 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CCC[C@@]23CC[NH2+]C3)C1=O ZINC001342277746 889745448 /nfs/dbraw/zinc/74/54/48/889745448.db2.gz ZDIWBYCLKZCKKY-WFASDCNBSA-N 2 0 294.399 -0.462 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001342297908 889750222 /nfs/dbraw/zinc/75/02/22/889750222.db2.gz BOJMUZOZNHTGDY-TVQRCGJNSA-N 2 0 266.345 -0.772 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC001342299210 889750645 /nfs/dbraw/zinc/75/06/45/889750645.db2.gz ZWDNAHQOZOXSJU-SDDRHHMPSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CCCOCCNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001342322033 889752496 /nfs/dbraw/zinc/75/24/96/889752496.db2.gz ZYKIRPGTIACJRJ-UHFFFAOYSA-N 2 0 284.360 -0.634 20 0 CBADRP O=C(CC[NH2+]CC1CC1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001342329531 889756189 /nfs/dbraw/zinc/75/61/89/889756189.db2.gz DLRGYWJKIUMBLU-ZDUSSCGKSA-N 2 0 269.389 -0.051 20 0 CBADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[NH2+]C[C@@H]1CO ZINC001342437114 889775070 /nfs/dbraw/zinc/77/50/70/889775070.db2.gz COLOOQYNGKCDKG-MNOVXSKESA-N 2 0 257.378 -0.197 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]C[C@H]2CO)C1 ZINC001342441114 889775897 /nfs/dbraw/zinc/77/58/97/889775897.db2.gz ULXAIZSMKUBBIA-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP CCN(C(=O)[C@@H]1CCCN(CC[NH3+])C1=O)[C@@H]1CC[NH2+]C1 ZINC001342473198 889780249 /nfs/dbraw/zinc/78/02/49/889780249.db2.gz ATPSCFLICXSZGU-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP C[NH+](C)CC1(C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC001342461673 889781498 /nfs/dbraw/zinc/78/14/98/889781498.db2.gz MAOJLGPXBJJPRS-UHFFFAOYSA-N 2 0 268.405 -0.133 20 0 CBADRP CN(C)c1cc[nH+]c(CNC(=O)COCC[NH3+])c1 ZINC001342541666 889789997 /nfs/dbraw/zinc/78/99/97/889789997.db2.gz ANARNXTWIDMIPW-UHFFFAOYSA-N 2 0 252.318 -0.261 20 0 CBADRP C[C@@H]1[C@H](NC(=O)c2cn(CCC[NH3+])nn2)CC[N@@H+]1C ZINC001342569258 889792036 /nfs/dbraw/zinc/79/20/36/889792036.db2.gz IQYGXKNCZSVHSQ-NXEZZACHSA-N 2 0 266.349 -0.551 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[N@@H+]1C ZINC001342571838 889795305 /nfs/dbraw/zinc/79/53/05/889795305.db2.gz YMVUHMGICRPZBA-UTUOFQBUSA-N 2 0 282.388 -0.608 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001342629198 889804565 /nfs/dbraw/zinc/80/45/65/889804565.db2.gz UNKNAORWTWBVNP-CYBMUJFWSA-N 2 0 267.373 -0.073 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001342629200 889804405 /nfs/dbraw/zinc/80/44/05/889804405.db2.gz UNKNAORWTWBVNP-ZDUSSCGKSA-N 2 0 267.373 -0.073 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001342641751 889808106 /nfs/dbraw/zinc/80/81/06/889808106.db2.gz IEIAOZPSZKEUBZ-ZANVPECISA-N 2 0 263.345 -0.280 20 0 CBADRP O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1C[NH2+]CCO1 ZINC001342678633 889815902 /nfs/dbraw/zinc/81/59/02/889815902.db2.gz FAHQPHINCJNIEL-DMDPSCGWSA-N 2 0 253.346 -0.377 20 0 CBADRP O=C(C[NH2+]C1CC1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001342695837 889818399 /nfs/dbraw/zinc/81/83/99/889818399.db2.gz KYCQKSNHXLXLFW-QWHCGFSZSA-N 2 0 267.373 -0.204 20 0 CBADRP O=C(N1CCNCC[NH2+]CC1)C12CCC[NH+](CCC1)C2 ZINC001342704568 889818589 /nfs/dbraw/zinc/81/85/89/889818589.db2.gz IUGJRVHNDAYAEK-UHFFFAOYSA-N 2 0 280.416 -0.116 20 0 CBADRP O=C(CC[C@H]1CC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC001342705447 889818853 /nfs/dbraw/zinc/81/88/53/889818853.db2.gz UPOXKARGZDCARF-LBPRGKRZSA-N 2 0 254.378 -0.603 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)C[C@H]1[NH3+] ZINC001342757882 889823241 /nfs/dbraw/zinc/82/32/41/889823241.db2.gz QLQQOMVHRLQTJP-MXWKQRLJSA-N 2 0 253.346 -0.439 20 0 CBADRP C[C@@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)CC[C@H]1C[NH3+] ZINC001342738240 889825160 /nfs/dbraw/zinc/82/51/60/889825160.db2.gz KRKDVFFRHLUWRI-UTLUCORTSA-N 2 0 254.334 -0.467 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCOCC1 ZINC001342789714 889830254 /nfs/dbraw/zinc/83/02/54/889830254.db2.gz CATQKMOZDLMLAG-WYUUTHIRSA-N 2 0 267.373 -0.193 20 0 CBADRP C[C@]1(C(=O)N2CCC3(CC2)C[NH2+]CCO3)CC[NH2+]C1 ZINC001342830008 889832506 /nfs/dbraw/zinc/83/25/06/889832506.db2.gz STXVXCXADPCJTK-ZDUSSCGKSA-N 2 0 267.373 -0.033 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@@H]2C[NH2+]CC23CC3)nn1 ZINC001342864919 889835356 /nfs/dbraw/zinc/83/53/56/889835356.db2.gz AETRPNYENBIDAP-SNVBAGLBSA-N 2 0 264.333 -0.891 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001342938791 889847710 /nfs/dbraw/zinc/84/77/10/889847710.db2.gz YSECVXYGUZNEMT-KQXIARHKSA-N 2 0 255.362 -0.396 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC001342991252 889850752 /nfs/dbraw/zinc/85/07/52/889850752.db2.gz AEEFHUBDRLTJIA-RYUDHWBXSA-N 2 0 255.362 -0.049 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC001342996254 889856153 /nfs/dbraw/zinc/85/61/53/889856153.db2.gz XBUXEJPVXBFZFW-UTUOFQBUSA-N 2 0 255.362 -0.179 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001343035586 889857501 /nfs/dbraw/zinc/85/75/01/889857501.db2.gz YYDUVECMGBYABU-YPMHNXCESA-N 2 0 254.378 -0.380 20 0 CBADRP CCCN(C(=O)[C@H](C)[C@@H](O)C[NH2+]C)[C@H]1CC[NH2+]C1 ZINC001343039184 889858185 /nfs/dbraw/zinc/85/81/85/889858185.db2.gz WOGKRACCQNYSRW-WOPDTQHZSA-N 2 0 257.378 -0.197 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC001343022619 889858201 /nfs/dbraw/zinc/85/82/01/889858201.db2.gz RFLLWNPHXGCKNZ-SRVKXCTJSA-N 2 0 257.378 -0.339 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001343040036 889859578 /nfs/dbraw/zinc/85/95/78/889859578.db2.gz GAFISDRLMYOPLC-NSHDSACASA-N 2 0 255.362 -0.001 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001343052883 889862189 /nfs/dbraw/zinc/86/21/89/889862189.db2.gz GLFKXANCOBJEKO-IJLUTSLNSA-N 2 0 255.362 -0.179 20 0 CBADRP [NH3+]CCn1cc(C(=O)NC[C@H]2CCCCC[NH2+]2)nn1 ZINC001343069408 889864497 /nfs/dbraw/zinc/86/44/97/889864497.db2.gz DSTAEOKYYGIQLE-SNVBAGLBSA-N 2 0 266.349 -0.501 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)C1(C[NH3+])CC(O)C1 ZINC001343354440 889893397 /nfs/dbraw/zinc/89/33/97/889893397.db2.gz QVOMCKHIKVODOY-UHFFFAOYSA-N 2 0 257.378 -0.210 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C[C@@H](C)O1 ZINC001343372772 889895272 /nfs/dbraw/zinc/89/52/72/889895272.db2.gz XPJKKFCEJTWOKY-CXTNEJHOSA-N 2 0 299.415 -0.285 20 0 CBADRP [NH3+]C1(CC(=O)N2CCC(OC3C[NH2+]C3)CC2)CC1 ZINC001343372919 889896439 /nfs/dbraw/zinc/89/64/39/889896439.db2.gz GHKGMTPNKBELLB-UHFFFAOYSA-N 2 0 253.346 -0.153 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C[C@@H](C)O1 ZINC001343372770 889897048 /nfs/dbraw/zinc/89/70/48/889897048.db2.gz XPJKKFCEJTWOKY-BHPKHCPMSA-N 2 0 299.415 -0.285 20 0 CBADRP C[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1)[N@H+](C)C1CC1 ZINC001343419216 889903590 /nfs/dbraw/zinc/90/35/90/889903590.db2.gz CJYBCJZWFHCOCE-IRUJWGPZSA-N 2 0 255.362 -0.302 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC[C@@H]1[NH3+] ZINC001343487205 889918388 /nfs/dbraw/zinc/91/83/88/889918388.db2.gz MJEANILJEPEEET-BLFANLJRSA-N 2 0 255.362 -0.315 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001343486934 889918905 /nfs/dbraw/zinc/91/89/05/889918905.db2.gz ORWHGPRVZGAPAV-TZMCWYRMSA-N 2 0 266.389 -0.508 20 0 CBADRP C[C@@H](NC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2)[C@H](C)[NH3+] ZINC001343506745 889925162 /nfs/dbraw/zinc/92/51/62/889925162.db2.gz TTZDEGIQMKGSHC-YGOYTEALSA-N 2 0 254.334 -0.263 20 0 CBADRP [NH3+][C@H](CO)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001343507360 889926243 /nfs/dbraw/zinc/92/62/43/889926243.db2.gz ITQQUVCDOYDSLH-QJPTWQEYSA-N 2 0 255.362 -0.456 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC001343528212 889928267 /nfs/dbraw/zinc/92/82/67/889928267.db2.gz YVUXOJKCWMQITQ-YFKTTZPYSA-N 2 0 255.362 -0.587 20 0 CBADRP [NH3+]C1CC2(C1)CC(NC(=O)[C@]13C[NH2+]C[C@H]1COC3)C2 ZINC001343532331 889929377 /nfs/dbraw/zinc/92/93/77/889929377.db2.gz ROMGTXOSJSWCIG-NZYXAWPISA-N 2 0 265.357 -0.392 20 0 CBADRP C[C@H](NC(=O)[C@]1(C)CC[NH2+]C1)[C@@H]1C[N@H+](C)CCN1C ZINC001343582910 889934260 /nfs/dbraw/zinc/93/42/60/889934260.db2.gz MLNWKQHHRIODJG-SGMGOOAPSA-N 2 0 268.405 -0.264 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3=NO[C@H](C[NH3+])C3)[C@@H]2C1 ZINC001343592895 889937993 /nfs/dbraw/zinc/93/79/93/889937993.db2.gz SLLCZEZBCXYUSF-MMWGEVLESA-N 2 0 266.345 -0.454 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@H]2CCC[NH2+]CC2)=NO1 ZINC001343628669 889941054 /nfs/dbraw/zinc/94/10/54/889941054.db2.gz NEWJTXADXVHWEX-UWVGGRQHSA-N 2 0 254.334 -0.404 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCC[C@@H]1CCC[NH2+]CC1 ZINC001343675043 889946024 /nfs/dbraw/zinc/94/60/24/889946024.db2.gz FRBDLOZWAWHZEY-UTUOFQBUSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CCC3(CC[NH2+]3)CC2)C1=O ZINC001343700106 889949390 /nfs/dbraw/zinc/94/93/90/889949390.db2.gz LSKFPTPXXHKARN-GFCCVEGCSA-N 2 0 294.399 -0.462 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001343699751 889950110 /nfs/dbraw/zinc/95/01/10/889950110.db2.gz FNPWTVOKGLJKKL-NRUUGDAUSA-N 2 0 255.362 -0.267 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001343973665 889985339 /nfs/dbraw/zinc/98/53/39/889985339.db2.gz BPQYDLMAIPOBMH-SECBINFHSA-N 2 0 268.361 -0.998 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C[NH2+]1 ZINC001344356102 890015293 /nfs/dbraw/zinc/01/52/93/890015293.db2.gz ATJNAIXVKIRNIP-BYNQJWBRSA-N 2 0 267.373 -0.131 20 0 CBADRP [NH3+]CC1(NC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CCOCC1 ZINC001344358694 890018267 /nfs/dbraw/zinc/01/82/67/890018267.db2.gz ZHMUKDKVZWLFHM-OUAUKWLOSA-N 2 0 253.346 -0.534 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001344387479 890019258 /nfs/dbraw/zinc/01/92/58/890019258.db2.gz PEEITDNJLQAHGO-GFCCVEGCSA-N 2 0 257.378 -0.243 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC001344386085 890020301 /nfs/dbraw/zinc/02/03/01/890020301.db2.gz DEBPMXIREAPICX-OLZOCXBDSA-N 2 0 265.357 -0.232 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC001344411800 890022598 /nfs/dbraw/zinc/02/25/98/890022598.db2.gz XLUFHIDEXPVUTC-PHIMTYICSA-N 2 0 263.345 -0.192 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001344439242 890026181 /nfs/dbraw/zinc/02/61/81/890026181.db2.gz VXMRKQCHLXIMGJ-SKDRFNHKSA-N 2 0 254.334 -0.630 20 0 CBADRP O=C(CCC12CC(C1)C[NH2+]2)N1CC[NH2+]C[C@H]1CO ZINC001344517224 890031919 /nfs/dbraw/zinc/03/19/19/890031919.db2.gz IZOQEPWGNLBDSC-AKJDGMEZSA-N 2 0 253.346 -0.689 20 0 CBADRP [NH3+]CCc1ccc(C(=O)N2CC[NH2+]C[C@H]2CO)cc1 ZINC001344517234 890034022 /nfs/dbraw/zinc/03/40/22/890034022.db2.gz JEBHDNHGCKTDDO-ZDUSSCGKSA-N 2 0 263.341 -0.406 20 0 CBADRP [NH3+][C@H](CO)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001344730377 890054309 /nfs/dbraw/zinc/05/43/09/890054309.db2.gz IJWKRHPPULWOKJ-DSYKOEDSSA-N 2 0 255.240 -0.956 20 0 CBADRP [NH3+][C@H](CO)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001344730378 890054275 /nfs/dbraw/zinc/05/42/75/890054275.db2.gz IJWKRHPPULWOKJ-FSDSQADBSA-N 2 0 255.240 -0.956 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC001344709238 890054959 /nfs/dbraw/zinc/05/49/59/890054959.db2.gz XLGUTSLWAUBBST-GXTWGEPZSA-N 2 0 266.389 -0.475 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCCC[C@H]1C[NH2+]C ZINC001344734221 890059610 /nfs/dbraw/zinc/05/96/10/890059610.db2.gz ZTQQTYOYRZWAMJ-SRVKXCTJSA-N 2 0 257.378 -0.197 20 0 CBADRP CC1(C)CN(C(=O)[C@]2(C[NH3+])CCCOC2)C[C@H]1[NH3+] ZINC001344766927 890061849 /nfs/dbraw/zinc/06/18/49/890061849.db2.gz SQFMFATXVNHWLF-MFKMUULPSA-N 2 0 255.362 -0.062 20 0 CBADRP [NH3+]CCNCC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001344778097 890063451 /nfs/dbraw/zinc/06/34/51/890063451.db2.gz PKMQXRZWRGINNG-WDEREUQCSA-N 2 0 272.418 -0.769 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001344849059 890074228 /nfs/dbraw/zinc/07/42/28/890074228.db2.gz YLPXJTNSGLVOHA-ZANVPECISA-N 2 0 263.345 -0.422 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCNCC[NH2+]CC1 ZINC001344963397 890085928 /nfs/dbraw/zinc/08/59/28/890085928.db2.gz PWAHUXQGBKGMRP-LBPRGKRZSA-N 2 0 256.394 -0.358 20 0 CBADRP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCNCC[NH2+]CC1 ZINC001344975376 890086657 /nfs/dbraw/zinc/08/66/57/890086657.db2.gz YZAGVHNAXNNFSS-UHFFFAOYSA-N 2 0 274.368 -0.075 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N2CCNCC[NH2+]CC2)cn1 ZINC001344973381 890087470 /nfs/dbraw/zinc/08/74/70/890087470.db2.gz FJUJREQDWUODIR-UHFFFAOYSA-N 2 0 294.403 -0.920 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCNCC[NH2+]CC2)C1 ZINC001344974869 890088241 /nfs/dbraw/zinc/08/82/41/890088241.db2.gz UDUWKHRKHGJTER-VXGBXAGGSA-N 2 0 254.378 -0.475 20 0 CBADRP C([C@H]1C[NH2+]CCO1)N1CC[NH2+]CCC12CCOCC2 ZINC001345137307 890102140 /nfs/dbraw/zinc/10/21/40/890102140.db2.gz LCTNFJIQXZZMRF-CYBMUJFWSA-N 2 0 269.389 -0.181 20 0 CBADRP [NH3+]C[C@]12CC[C@@H]1CCCN2CC(=O)N1CC[NH2+]CC1 ZINC001345137331 890102691 /nfs/dbraw/zinc/10/26/91/890102691.db2.gz LTBKWCUYFUBYGS-GXTWGEPZSA-N 2 0 266.389 -0.379 20 0 CBADRP C(c1[nH]nc2c1COCC2)N1CC[NH2+]CC[NH2+]CC1 ZINC001345137621 890103429 /nfs/dbraw/zinc/10/34/29/890103429.db2.gz ORAFVXULNLZLLW-UHFFFAOYSA-N 2 0 265.361 -0.523 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NCC2([NH3+])CC2)CC1 ZINC001345296236 890118459 /nfs/dbraw/zinc/11/84/59/890118459.db2.gz XEJNXUFLOBHVEP-UHFFFAOYSA-N 2 0 254.378 -0.379 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC[NH2+]C1 ZINC001345383013 890124192 /nfs/dbraw/zinc/12/41/92/890124192.db2.gz XBOKXVNEHODRDL-MFKMUULPSA-N 2 0 255.362 -0.273 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001345501073 890138110 /nfs/dbraw/zinc/13/81/10/890138110.db2.gz JGPSEEQZOMELLL-UJPOAAIJSA-N 2 0 264.373 -0.616 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CCOC2)CC1 ZINC001345604580 890146154 /nfs/dbraw/zinc/14/61/54/890146154.db2.gz CDBHESFPPZOSLU-OLZOCXBDSA-N 2 0 257.378 -0.779 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)CC[NH2+]CC1CC1 ZINC001345655515 890151200 /nfs/dbraw/zinc/15/12/00/890151200.db2.gz IZSCDHYEFPRCMX-GFCCVEGCSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)c1cn(CCC[NH3+])nn1 ZINC001345810888 890167464 /nfs/dbraw/zinc/16/74/64/890167464.db2.gz UPAHJDUUWWUJQH-JTQLQIEISA-N 2 0 266.349 -0.549 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC001345826878 890169336 /nfs/dbraw/zinc/16/93/36/890169336.db2.gz XEIRUJYCBWXAIA-WDEREUQCSA-N 2 0 253.346 -0.438 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001345856444 890171696 /nfs/dbraw/zinc/17/16/96/890171696.db2.gz RLZSVEXLVXWYOO-VWYCJHECSA-N 2 0 268.361 -0.889 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001346007163 890194428 /nfs/dbraw/zinc/19/44/28/890194428.db2.gz QFYDVPGTFYBZNP-IJLUTSLNSA-N 2 0 282.388 -0.879 20 0 CBADRP C[NH2+][C@H](C(=O)N1CCC(C[NH3+])CC1)c1cnn(C)c1 ZINC001346003203 890195353 /nfs/dbraw/zinc/19/53/53/890195353.db2.gz WFZUREXDMXDFJX-LBPRGKRZSA-N 2 0 265.361 -0.122 20 0 CBADRP C[NH2+]CCCC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001346229689 890245656 /nfs/dbraw/zinc/24/56/56/890245656.db2.gz WIGVRQIBOWLZCM-VXGBXAGGSA-N 2 0 256.394 -0.264 20 0 CBADRP C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1C[N@H+](C)CCN1C ZINC001346228792 890243493 /nfs/dbraw/zinc/24/34/93/890243493.db2.gz MEZGFYYOSILBMF-WISYIIOYSA-N 2 0 254.378 -0.526 20 0 CBADRP C[NH2+]CCCC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001346229688 890247417 /nfs/dbraw/zinc/24/74/17/890247417.db2.gz WIGVRQIBOWLZCM-RYUDHWBXSA-N 2 0 256.394 -0.264 20 0 CBADRP C[NH2+]CCCC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001346229687 890247841 /nfs/dbraw/zinc/24/78/41/890247841.db2.gz WIGVRQIBOWLZCM-NWDGAFQWSA-N 2 0 256.394 -0.264 20 0 CBADRP C[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)NCC(F)F ZINC001346327222 890268759 /nfs/dbraw/zinc/26/87/59/890268759.db2.gz WXSJPMYBWCSKNX-RYUDHWBXSA-N 2 0 294.390 -0.573 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC001346317643 890269131 /nfs/dbraw/zinc/26/91/31/890269131.db2.gz AKMHQVGGMFHRKV-OLZOCXBDSA-N 2 0 268.405 -0.262 20 0 CBADRP O=C(NC[C@H](CO)[NH2+]CCF)C12CCC[NH+](CCC1)C2 ZINC001448872018 913434279 /nfs/dbraw/zinc/43/42/79/913434279.db2.gz GACUJLDNPGDUSF-GFCCVEGCSA-N 2 0 287.379 -0.101 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)NC[C@H]2CCC[NH2+]CC2)C1=O ZINC001346442133 890291657 /nfs/dbraw/zinc/29/16/57/890291657.db2.gz VQTAYLVSSLKSLL-STQMWFEESA-N 2 0 296.415 -0.310 20 0 CBADRP C[C@H](O)C[NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001448866158 913436797 /nfs/dbraw/zinc/43/67/97/913436797.db2.gz QSATVQRRBHFYNY-RYUDHWBXSA-N 2 0 285.388 -0.938 20 0 CBADRP [NH3+]Cc1ccc(CNC(=O)N2CCNCC[NH2+]CC2)cc1 ZINC001346501077 890308804 /nfs/dbraw/zinc/30/88/04/890308804.db2.gz MVEXYDCXNZCGDJ-UHFFFAOYSA-N 2 0 291.399 -0.150 20 0 CBADRP Cc1ncc(C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)cn1 ZINC001448884691 913438197 /nfs/dbraw/zinc/43/81/97/913438197.db2.gz FLFGPDJECOYXSK-ZDUSSCGKSA-N 2 0 295.387 -0.697 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)CC[NH+](C)C ZINC001346611699 890332451 /nfs/dbraw/zinc/33/24/51/890332451.db2.gz LULZJFXQDBAESR-VXGBXAGGSA-N 2 0 254.378 -0.605 20 0 CBADRP [NH3+]CC1(NC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCOCC1 ZINC001346685723 890340963 /nfs/dbraw/zinc/34/09/63/890340963.db2.gz OEMQFNWKLQOHMC-HBNTYKKESA-N 2 0 268.361 -0.314 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001347062926 890396970 /nfs/dbraw/zinc/39/69/70/890396970.db2.gz LNQKSENJSTYATL-UHFFFAOYSA-N 2 0 256.350 -0.996 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@@H]1CCC[NH+]1C ZINC001347361484 890454875 /nfs/dbraw/zinc/45/48/75/890454875.db2.gz HAVCGDSYTGRITF-AGIUHOORSA-N 2 0 266.389 -0.415 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001348447133 890626148 /nfs/dbraw/zinc/62/61/48/890626148.db2.gz MIUYLIQCIPJKMS-WDEREUQCSA-N 2 0 270.377 -0.798 20 0 CBADRP Cc1nn(CCO)c(C)c1C[N@H+](C)CCOCC[NH3+] ZINC001348446223 890626671 /nfs/dbraw/zinc/62/66/71/890626671.db2.gz BPWPSFZISQOJHV-UHFFFAOYSA-N 2 0 270.377 -0.101 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC001348447498 890627755 /nfs/dbraw/zinc/62/77/55/890627755.db2.gz QOGVUQRYILTBAF-QJPTWQEYSA-N 2 0 254.378 -0.476 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccnn1C ZINC001448958811 913472430 /nfs/dbraw/zinc/47/24/30/913472430.db2.gz ZRXHUGNGEOWSOG-LBPRGKRZSA-N 2 0 297.403 -0.673 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC001348575373 890652883 /nfs/dbraw/zinc/65/28/83/890652883.db2.gz XOZYZAJELLCYAS-JHJVBQTASA-N 2 0 296.415 -0.075 20 0 CBADRP O=C([C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001348838158 890711414 /nfs/dbraw/zinc/71/14/14/890711414.db2.gz XMLFWVBFMBAUCQ-ZDEQEGDKSA-N 2 0 264.373 -0.900 20 0 CBADRP CC[C@@H](C(=O)NCCNC(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001349028507 890749116 /nfs/dbraw/zinc/74/91/16/890749116.db2.gz GWWJEGCVYXFORX-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[NH+](C)CCC(=O)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001349069551 890754441 /nfs/dbraw/zinc/75/44/41/890754441.db2.gz KIKFXZFAHBJODQ-ZDUSSCGKSA-N 2 0 296.415 -0.488 20 0 CBADRP O=C1NC2(CC[NH2+]CC2)C(=O)N1C[C@H]1CC[NH2+]C1 ZINC001349109987 890762321 /nfs/dbraw/zinc/76/23/21/890762321.db2.gz DJHDOAHAHLJGIV-VIFPVBQESA-N 2 0 252.318 -0.730 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)nn1 ZINC001349399168 890806489 /nfs/dbraw/zinc/80/64/89/890806489.db2.gz YUIHCGOFOZBYLY-DGCLKSJQSA-N 3 0 264.377 -0.017 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC001349404351 890808888 /nfs/dbraw/zinc/80/88/88/890808888.db2.gz WGGZXOXPMIBLKO-NSHDSACASA-N 2 0 255.362 -0.169 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCNC(=O)Cc1[nH]cnc1C ZINC001349431401 890813508 /nfs/dbraw/zinc/81/35/08/890813508.db2.gz WASWJFXDVJZKMF-UHFFFAOYSA-N 2 0 295.387 -0.165 20 0 CBADRP C[NH+](C)CCC(=O)NCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001349452154 890817776 /nfs/dbraw/zinc/81/77/76/890817776.db2.gz KKNNQUPZFRCJCV-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CCCN(CC(N)=O)C1 ZINC001349471729 890820533 /nfs/dbraw/zinc/82/05/33/890820533.db2.gz DIYWCOUGILXWPC-GXSJLCMTSA-N 2 0 256.350 -0.964 20 0 CBADRP NC(=O)CN1CCC[C@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC001349473012 890820790 /nfs/dbraw/zinc/82/07/90/890820790.db2.gz KXTHHEJQHWGWIU-NSHDSACASA-N 2 0 268.361 -0.948 20 0 CBADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC001349597277 890843863 /nfs/dbraw/zinc/84/38/63/890843863.db2.gz VEEQGIIMTWOSLT-DGCLKSJQSA-N 2 0 287.379 -0.103 20 0 CBADRP CN(CCOCC[NH3+])C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001349613294 890848647 /nfs/dbraw/zinc/84/86/47/890848647.db2.gz ZSTQNKHRUBYHEX-JTQLQIEISA-N 2 0 281.360 -0.466 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC001349808202 890896078 /nfs/dbraw/zinc/89/60/78/890896078.db2.gz MFZBDSHADDDCHO-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001349817064 890896811 /nfs/dbraw/zinc/89/68/11/890896811.db2.gz GOIKVHAVYSAMNT-SDDRHHMPSA-N 2 0 255.362 -0.049 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001349816496 890898855 /nfs/dbraw/zinc/89/88/55/890898855.db2.gz OQAXEGPRDNEQLH-JTQLQIEISA-N 2 0 253.346 -0.567 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001349916277 890911888 /nfs/dbraw/zinc/91/18/88/890911888.db2.gz IYLCWABXLMIPDY-VIFPVBQESA-N 2 0 265.304 -0.417 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001349907656 890912961 /nfs/dbraw/zinc/91/29/61/890912961.db2.gz NQQRFZKMMNSEQJ-SFYZADRCSA-N 2 0 251.277 -0.679 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001349995932 890920453 /nfs/dbraw/zinc/92/04/53/890920453.db2.gz SWBBGUXOMCGEQL-RVMXOQNASA-N 2 0 294.399 -0.452 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC001350224133 890951686 /nfs/dbraw/zinc/95/16/86/890951686.db2.gz SPVTVLIIRLMEJI-MGCOHNPYSA-N 2 0 254.334 -0.893 20 0 CBADRP [NH3+]CC1(O)CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001350909462 891065966 /nfs/dbraw/zinc/06/59/66/891065966.db2.gz JAFMABDOXWEEBB-LLVKDONJSA-N 2 0 254.334 -0.970 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001351543920 891150967 /nfs/dbraw/zinc/15/09/67/891150967.db2.gz CSJCXNHYMXZOIM-SRVKXCTJSA-N 2 0 284.404 -0.219 20 0 CBADRP C[NH2+]CCOCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC001351678552 891170186 /nfs/dbraw/zinc/17/01/86/891170186.db2.gz CUMKSAIALZHUGG-MELADBBJSA-N 3 0 271.405 -0.031 20 0 CBADRP C[NH2+]CCOCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC001351678551 891171019 /nfs/dbraw/zinc/17/10/19/891171019.db2.gz CUMKSAIALZHUGG-HZSPNIEDSA-N 3 0 271.405 -0.031 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCOCC[NH+](C)C ZINC001351731711 891178090 /nfs/dbraw/zinc/17/80/90/891178090.db2.gz NKVGFVZBKRXPNO-CHWSQXEVSA-N 2 0 284.404 -0.931 20 0 CBADRP [NH3+]Cc1cnn(Cc2cn(C[C@@H]3CCC[NH2+]3)nn2)c1 ZINC001351747298 891180519 /nfs/dbraw/zinc/18/05/19/891180519.db2.gz MHNVLPCYLRBIFC-NSHDSACASA-N 2 0 261.333 -0.266 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001352011522 891214396 /nfs/dbraw/zinc/21/43/96/891214396.db2.gz XOPMMDMVSVRDHJ-DTWKUNHWSA-N 2 0 251.334 -0.046 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21)C(F)(F)F ZINC001352095098 891227429 /nfs/dbraw/zinc/22/74/29/891227429.db2.gz IARLZWTUPPFCQC-DKXJUACHSA-N 2 0 251.252 -0.010 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC001352737084 891286741 /nfs/dbraw/zinc/28/67/41/891286741.db2.gz IEPYVOAVKXYJDV-GHMZBOCLSA-N 2 0 254.378 -0.476 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)C[NH+](C)CCO)C1 ZINC001449220899 913546841 /nfs/dbraw/zinc/54/68/41/913546841.db2.gz XXTKKJNBZZRCNK-OLZOCXBDSA-N 2 0 287.404 -0.928 20 0 CBADRP NC(=O)C1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC001352776525 891293504 /nfs/dbraw/zinc/29/35/04/891293504.db2.gz NGCDKYGRUFQGHB-JSGCOSHPSA-N 2 0 267.373 -0.048 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H](C[NH3+])C2)cn1 ZINC001352825083 891300733 /nfs/dbraw/zinc/30/07/33/891300733.db2.gz PEBFAYWVMGKLAO-LLVKDONJSA-N 2 0 265.361 -0.135 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H](C[NH3+])C2)cn1 ZINC001352825088 891301076 /nfs/dbraw/zinc/30/10/76/891301076.db2.gz PEBFAYWVMGKLAO-NSHDSACASA-N 2 0 265.361 -0.135 20 0 CBADRP C[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH]cn1 ZINC001449203230 913543073 /nfs/dbraw/zinc/54/30/73/913543073.db2.gz XXKRYZAOYRPDLP-AAEUAGOBSA-N 2 0 298.387 -0.526 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC001352839728 891304396 /nfs/dbraw/zinc/30/43/96/891304396.db2.gz QJNMDCYLUAHGEG-BETUJISGSA-N 2 0 268.405 -0.133 20 0 CBADRP C[C@H]1C[C@H](NC(=O)c2c(C[NH3+])cnn2C)CC[NH2+]1 ZINC001352839688 891305430 /nfs/dbraw/zinc/30/54/30/891305430.db2.gz QALSUUIZHPZFPI-WCBMZHEXSA-N 2 0 251.334 -0.251 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001352849689 891307248 /nfs/dbraw/zinc/30/72/48/891307248.db2.gz NRJSBLRAHJZGJB-INTQDDNPSA-N 2 0 251.334 -0.590 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC001352850794 891309402 /nfs/dbraw/zinc/30/94/02/891309402.db2.gz YDLKHMSCGHIIBB-DTWKUNHWSA-N 2 0 251.334 -0.094 20 0 CBADRP [NH3+]Cc1ncc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC001352848689 891310581 /nfs/dbraw/zinc/31/05/81/891310581.db2.gz BNAUZUFLPPXSRM-GXFFZTMASA-N 2 0 261.329 -0.111 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC001352862020 891313348 /nfs/dbraw/zinc/31/33/48/891313348.db2.gz LRCDQRIDPFUSIT-YNEHKIRRSA-N 2 0 268.405 -0.040 20 0 CBADRP C[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001449220133 913546121 /nfs/dbraw/zinc/54/61/21/913546121.db2.gz UWWPELOURPUSHC-NWDGAFQWSA-N 2 0 275.393 -0.930 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@@H]1CC[NH+]1C ZINC001352985894 891337157 /nfs/dbraw/zinc/33/71/57/891337157.db2.gz MXGLPTPJDSORHZ-GRYCIOLGSA-N 2 0 252.362 -0.805 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)C1CC[NH2+]CC1 ZINC001352987080 891337488 /nfs/dbraw/zinc/33/74/88/891337488.db2.gz FOPKRHFHIDPNRH-DGCLKSJQSA-N 2 0 266.389 -0.415 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC1CC[NH2+]CC1 ZINC001352990425 891337595 /nfs/dbraw/zinc/33/75/95/891337595.db2.gz ZXKGOTWYDCDKSA-DGCLKSJQSA-N 2 0 266.389 -0.510 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H](C[NH3+])C1CC1 ZINC001353005413 891340199 /nfs/dbraw/zinc/34/01/99/891340199.db2.gz RTXNYBHEIFAFBQ-USWWRNFRSA-N 2 0 252.362 -0.772 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H](C[NH3+])C1CC1 ZINC001353005414 891342122 /nfs/dbraw/zinc/34/21/22/891342122.db2.gz RTXNYBHEIFAFBQ-YUSALJHKSA-N 2 0 252.362 -0.772 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC001353034478 891343644 /nfs/dbraw/zinc/34/36/44/891343644.db2.gz IGCQMRPCQNHXCK-DCAQKATOSA-N 2 0 259.325 -0.477 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC001353071358 891355519 /nfs/dbraw/zinc/35/55/19/891355519.db2.gz ITEOZJJOFNUJHO-RYUDHWBXSA-N 2 0 267.373 -0.177 20 0 CBADRP CN(C(=O)C[C@]1(O)CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001353200456 891381172 /nfs/dbraw/zinc/38/11/72/891381172.db2.gz AVRGICULUFJSID-CYBMUJFWSA-N 2 0 255.362 -0.299 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC001353299302 891394594 /nfs/dbraw/zinc/39/45/94/891394594.db2.gz NCPDIJVKFYLCGD-YVECIDJPSA-N 2 0 294.399 -0.417 20 0 CBADRP CN(C[C@@H](O)C[NH2+]C1CC(CO)(CO)C1)C1CC1 ZINC001353375098 891416833 /nfs/dbraw/zinc/41/68/33/891416833.db2.gz BYVRBLIQOMOJGG-LBPRGKRZSA-N 2 0 258.362 -0.836 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)NCCC1=CC[NH2+]CC1 ZINC001353431609 891425914 /nfs/dbraw/zinc/42/59/14/891425914.db2.gz WUJDTMZRVQQHOX-CYBMUJFWSA-N 2 0 282.388 -0.074 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)NCCC1=CC[NH2+]CC1 ZINC001353431621 891425956 /nfs/dbraw/zinc/42/59/56/891425956.db2.gz WUJDTMZRVQQHOX-ZDUSSCGKSA-N 2 0 282.388 -0.074 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC001353457490 891427644 /nfs/dbraw/zinc/42/76/44/891427644.db2.gz QYVJMYBLELIHAM-LMLFDSFASA-N 2 0 256.350 -0.648 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)NC[C@@H]1COCC[NH2+]1)C2 ZINC001353441161 891428203 /nfs/dbraw/zinc/42/82/03/891428203.db2.gz CYVXPAPMELPRLO-QCNOEVLYSA-N 2 0 268.361 -0.504 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)NCCOCCC[NH3+] ZINC001353443382 891428343 /nfs/dbraw/zinc/42/83/43/891428343.db2.gz UJQLWQZOZFLFIC-LBPRGKRZSA-N 2 0 288.392 -0.628 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]([NH3+])C(C)(C)O)C[C@H](C)O1 ZINC001353469584 891431390 /nfs/dbraw/zinc/43/13/90/891431390.db2.gz RZSUDKUXUUZTMO-GRYCIOLGSA-N 2 0 287.404 -0.300 20 0 CBADRP C[N@H+](CCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)C1CC1 ZINC001353509128 891435841 /nfs/dbraw/zinc/43/58/41/891435841.db2.gz WPZWBAZREGLWNI-LBPRGKRZSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[C@H](O)C[NH2+]C)C1 ZINC001353496714 891437690 /nfs/dbraw/zinc/43/76/90/891437690.db2.gz UBFDMMATGMINSI-IJLUTSLNSA-N 2 0 257.378 -0.339 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2C[NH2+]CC2(C)C)[C@@H](C[NH3+])C1 ZINC001353510995 891439432 /nfs/dbraw/zinc/43/94/32/891439432.db2.gz DRVKPDCPAHDALM-WDEREUQCSA-N 2 0 269.393 -0.731 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001353522131 891439735 /nfs/dbraw/zinc/43/97/35/891439735.db2.gz LWVYRAJSYLQAMW-XYPYZODXSA-N 2 0 258.366 -0.663 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC001353535921 891443256 /nfs/dbraw/zinc/44/32/56/891443256.db2.gz WUGPBKDPUIBFTL-NHCYSSNCSA-N 2 0 257.378 -0.198 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001353548549 891444133 /nfs/dbraw/zinc/44/41/33/891444133.db2.gz KOJJIYAKBVAZMQ-YNEHKIRRSA-N 2 0 268.405 -0.121 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001353580631 891451081 /nfs/dbraw/zinc/45/10/81/891451081.db2.gz AMMGELCNRLRZHL-AWEZNQCLSA-N 2 0 297.447 -0.966 20 0 CBADRP C[C@H](C[NH3+])NC(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC001353613568 891452752 /nfs/dbraw/zinc/45/27/52/891452752.db2.gz PMJDOKKQGWYRJO-KKOKHZNYSA-N 2 0 255.362 -0.003 20 0 CBADRP C[C@H](C[NH3+])NC(=O)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC001353613570 891454213 /nfs/dbraw/zinc/45/42/13/891454213.db2.gz PMJDOKKQGWYRJO-WISYIIOYSA-N 2 0 255.362 -0.003 20 0 CBADRP C[C@]1(C(=O)N2CCC[C@@H](CC[NH3+])C2)C[C@H](O)C[NH2+]1 ZINC001353635501 891456296 /nfs/dbraw/zinc/45/62/96/891456296.db2.gz YLEWLNIKARPZRZ-GMXVVIOVSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C[C@H](O)C[NH2+]1 ZINC001353654401 891456494 /nfs/dbraw/zinc/45/64/94/891456494.db2.gz IGWUUVAKHJBZOZ-MPPDQPJWSA-N 2 0 253.346 -0.690 20 0 CBADRP C[NH2+]CCCCC(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC001353644432 891456831 /nfs/dbraw/zinc/45/68/31/891456831.db2.gz BVFCPGBXKOZAQA-LLVKDONJSA-N 2 0 271.361 -0.260 20 0 CBADRP N[C@@H](CC(=O)NC[C@@H]1C[NH2+]CCCO1)C(F)F ZINC001353665672 891459253 /nfs/dbraw/zinc/45/92/53/891459253.db2.gz ISJLBHBGJUMOJH-YUMQZZPRSA-N 2 0 251.277 -0.536 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001353729894 891467223 /nfs/dbraw/zinc/46/72/23/891467223.db2.gz VZVDOXCBHOOPFO-NDBYEHHHSA-N 2 0 269.389 -0.102 20 0 CBADRP CC1(C)[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C[C@@H]1[NH3+] ZINC001353928596 891487310 /nfs/dbraw/zinc/48/73/10/891487310.db2.gz LVRABDZVWMPRKN-DEKYYXRVSA-N 2 0 267.373 -0.146 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001353928595 891487528 /nfs/dbraw/zinc/48/75/28/891487528.db2.gz LVRABDZVWMPRKN-BIAAXOCRSA-N 2 0 267.373 -0.146 20 0 CBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001353957804 891491195 /nfs/dbraw/zinc/49/11/95/891491195.db2.gz JRDXZGBVFXFBRQ-XZUYRWCXSA-N 2 0 255.362 -0.146 20 0 CBADRP C[C@H]1CC2(CN1C(=O)C[C@@H](O)C[NH3+])CC[NH2+]CC2 ZINC001353948853 891491431 /nfs/dbraw/zinc/49/14/31/891491431.db2.gz MXVVPJKCFMRAHO-WDEREUQCSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@H]([NH3+])CONC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001354073686 891511555 /nfs/dbraw/zinc/51/15/55/891511555.db2.gz KVXRJJYLRVVJFP-YUMQZZPRSA-N 2 0 253.306 -0.505 20 0 CBADRP NC(=O)CC1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001354185984 891529581 /nfs/dbraw/zinc/52/95/81/891529581.db2.gz YIUHFOKIXBPYKJ-GFCCVEGCSA-N 2 0 267.373 -0.048 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC3(C[NH2+]C3)CC2)C1 ZINC001354201299 891532207 /nfs/dbraw/zinc/53/22/07/891532207.db2.gz INJBWVQLHPVQPF-WCQYABFASA-N 2 0 267.373 -0.035 20 0 CBADRP CS(=O)(=O)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC001354238552 891544532 /nfs/dbraw/zinc/54/45/32/891544532.db2.gz XGDWYKJHRHPZDQ-MXWKQRLJSA-N 2 0 264.391 -0.501 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC001354296747 891556480 /nfs/dbraw/zinc/55/64/80/891556480.db2.gz GPHYTCLGROYBNK-WYUUTHIRSA-N 2 0 257.378 -0.211 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001354318470 891563863 /nfs/dbraw/zinc/56/38/63/891563863.db2.gz IAUSJBWZHDDXFY-DRZSPHRISA-N 2 0 267.373 -0.049 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)C1 ZINC001354329245 891565974 /nfs/dbraw/zinc/56/59/74/891565974.db2.gz DCTXPJIZSBCBCT-TUAOUCFPSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@]1(NC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]C1 ZINC001354344397 891567525 /nfs/dbraw/zinc/56/75/25/891567525.db2.gz WGMQMQQFMANFLB-QWHCGFSZSA-N 2 0 266.345 -0.247 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001354343371 891567990 /nfs/dbraw/zinc/56/79/90/891567990.db2.gz OVLKUMNQUSYLNL-OLZOCXBDSA-N 2 0 269.389 -0.066 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C[NH2+]1 ZINC001354424418 891576681 /nfs/dbraw/zinc/57/66/81/891576681.db2.gz OEOJBURIUHLSBD-GRYCIOLGSA-N 2 0 282.388 -0.560 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC001354408956 891577075 /nfs/dbraw/zinc/57/70/75/891577075.db2.gz CGDGIHIBMFRJHI-NWDGAFQWSA-N 2 0 255.362 -0.036 20 0 CBADRP C[NH2+]CCOCCNC(=O)c1ccc2c(n1)C[NH2+]CC2 ZINC001354397569 891577245 /nfs/dbraw/zinc/57/72/45/891577245.db2.gz QDDDZSKUZVBWNZ-UHFFFAOYSA-N 2 0 278.356 -0.307 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C[NH2+]1 ZINC001354424420 891578443 /nfs/dbraw/zinc/57/84/43/891578443.db2.gz OEOJBURIUHLSBD-UTUOFQBUSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)CCSCCC[NH3+] ZINC001354461064 891584977 /nfs/dbraw/zinc/58/49/77/891584977.db2.gz FMKBDFJGFGKWMC-SNVBAGLBSA-N 2 0 263.407 -0.503 20 0 CBADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]([NH3+])C(C)(C)O ZINC001354580089 891595829 /nfs/dbraw/zinc/59/58/29/891595829.db2.gz GEXOIIRCYYDOST-OUAUKWLOSA-N 2 0 255.362 -0.220 20 0 CBADRP CCN(C(=O)C[C@@]1(O)CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC001354645329 891601844 /nfs/dbraw/zinc/60/18/44/891601844.db2.gz RTWSQVBBZCOXJU-AAEUAGOBSA-N 2 0 255.362 -0.299 20 0 CBADRP CCN(C(=O)C[C@]1(O)CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC001354645332 891602112 /nfs/dbraw/zinc/60/21/12/891602112.db2.gz RTWSQVBBZCOXJU-DGCLKSJQSA-N 2 0 255.362 -0.299 20 0 CBADRP CCN(C(=O)C[C@@]1(O)CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC001354645340 891602342 /nfs/dbraw/zinc/60/23/42/891602342.db2.gz RTWSQVBBZCOXJU-YPMHNXCESA-N 2 0 255.362 -0.299 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001354698310 891609534 /nfs/dbraw/zinc/60/95/34/891609534.db2.gz XSQVZEYWEJWHNZ-QWRGUYRKSA-N 2 0 255.362 -0.144 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001354695591 891609661 /nfs/dbraw/zinc/60/96/61/891609661.db2.gz KHWIQBHXWGQZNE-IJLUTSLNSA-N 2 0 267.373 -0.001 20 0 CBADRP COC[C@H]([NH3+])C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC001354759809 891615808 /nfs/dbraw/zinc/61/58/08/891615808.db2.gz GOTRNEOCLLNVOM-NSHDSACASA-N 2 0 252.318 -0.263 20 0 CBADRP C[C@H]([NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001449387263 913576436 /nfs/dbraw/zinc/57/64/36/913576436.db2.gz UHIKTZUJJIHJIJ-HIFPTAJRSA-N 2 0 298.431 -0.006 20 0 CBADRP C[C@@H]([NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001449387267 913576520 /nfs/dbraw/zinc/57/65/20/913576520.db2.gz UHIKTZUJJIHJIJ-PNESKVBLSA-N 2 0 298.431 -0.006 20 0 CBADRP C[NH+](C)CC(=O)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001354905366 891626889 /nfs/dbraw/zinc/62/68/89/891626889.db2.gz OZMGFVBVZFIAFT-CYBMUJFWSA-N 2 0 263.345 -0.455 20 0 CBADRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC001354894266 891627317 /nfs/dbraw/zinc/62/73/17/891627317.db2.gz UAHXJSZVAXXFBM-FIQHERPVSA-N 2 0 255.362 -0.038 20 0 CBADRP C[NH2+][C@H](CNC(=O)COCC[NH3+])Cc1ccccc1 ZINC001354894204 891627947 /nfs/dbraw/zinc/62/79/47/891627947.db2.gz SFIGEYATLOPKGB-ZDUSSCGKSA-N 2 0 265.357 -0.091 20 0 CBADRP O=C(NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1CC[NH2+]1 ZINC001354977596 891633170 /nfs/dbraw/zinc/63/31/70/891633170.db2.gz DNWSNKDNNIUMLD-NXEZZACHSA-N 2 0 267.329 -0.850 20 0 CBADRP O=C(N1CCNCC[NH2+]CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC001355015348 891637730 /nfs/dbraw/zinc/63/77/30/891637730.db2.gz FTNQTHQYFATDNZ-OCCSQVGLSA-N 2 0 266.389 -0.460 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001355042127 891640239 /nfs/dbraw/zinc/64/02/39/891640239.db2.gz HZGFLQNRFFRNBX-QWRGUYRKSA-N 2 0 268.361 -0.948 20 0 CBADRP [NH3+][C@@H](CO)Cc1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC001355402598 891673523 /nfs/dbraw/zinc/67/35/23/891673523.db2.gz OCQMZJKTSPIEGV-WDEREUQCSA-N 2 0 253.350 -0.470 20 0 CBADRP CN1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC[N@H+](C)CC1 ZINC001355442337 891679554 /nfs/dbraw/zinc/67/95/54/891679554.db2.gz SCDJRAICODQGSU-TXEJJXNPSA-N 2 0 254.378 -0.571 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001355520866 891687426 /nfs/dbraw/zinc/68/74/26/891687426.db2.gz QDERZKIFDKYRLS-VXGBXAGGSA-N 2 0 254.378 -0.462 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C[C@H](C[NH3+])OC ZINC001355557891 891689162 /nfs/dbraw/zinc/68/91/62/891689162.db2.gz DJJBRHMPQTYNAF-GHMZBOCLSA-N 2 0 259.350 -0.813 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC001355558767 891689497 /nfs/dbraw/zinc/68/94/97/891689497.db2.gz LFEMIOGDPOAJIU-LBELIVKGSA-N 2 0 267.373 -0.193 20 0 CBADRP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C[C@H]1C[NH2+]CCO1 ZINC001355598853 891695651 /nfs/dbraw/zinc/69/56/51/891695651.db2.gz IVZAGUFKMVLBNX-GMXVVIOVSA-N 2 0 253.346 -0.295 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C3(O)C[NH2+]C3)C[C@H]2C1 ZINC001355709528 891701348 /nfs/dbraw/zinc/70/13/48/891701348.db2.gz XVCFKGJOWNYCLD-IJLUTSLNSA-N 2 0 267.373 -0.491 20 0 CBADRP NOCCC[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC001356083397 891725467 /nfs/dbraw/zinc/72/54/67/891725467.db2.gz OLCOGTWBRHKBID-SNVBAGLBSA-N 2 0 254.338 -0.427 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC[C@@H](O)C2CC2)CC1 ZINC001356113673 891732323 /nfs/dbraw/zinc/73/23/23/891732323.db2.gz NHUWNOAEMBXOSZ-ZIAGYGMSSA-N 2 0 271.405 -0.655 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC[C@H](O)C2CC2)CC1 ZINC001356113670 891732717 /nfs/dbraw/zinc/73/27/17/891732717.db2.gz NHUWNOAEMBXOSZ-KBPBESRZSA-N 2 0 271.405 -0.655 20 0 CBADRP CN(C(=O)c1ccn(CCC[NH3+])n1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001356368579 891751835 /nfs/dbraw/zinc/75/18/35/891751835.db2.gz DWXWUZXPBYCPGV-IAZYJMLFSA-N 2 0 263.345 -0.478 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001356438055 891759100 /nfs/dbraw/zinc/75/91/00/891759100.db2.gz NIEKSCMBAVFCDA-QWRGUYRKSA-N 2 0 280.372 -0.663 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001356438063 891759318 /nfs/dbraw/zinc/75/93/18/891759318.db2.gz NIEKSCMBAVFCDA-WDEREUQCSA-N 2 0 280.372 -0.663 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC001356441080 891759700 /nfs/dbraw/zinc/75/97/00/891759700.db2.gz UMQBHXKJRCOKJM-DGCLKSJQSA-N 2 0 296.415 -0.441 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001356438027 891760350 /nfs/dbraw/zinc/76/03/50/891760350.db2.gz NIEKSCMBAVFCDA-GHMZBOCLSA-N 2 0 280.372 -0.663 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N(CC[NH2+]C)C(C)C ZINC001356448968 891762792 /nfs/dbraw/zinc/76/27/92/891762792.db2.gz OMZZTBHGOFYTDS-UHFFFAOYSA-N 2 0 286.420 -0.099 20 0 CBADRP CCN(C(=O)CN1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001356462644 891764991 /nfs/dbraw/zinc/76/49/91/891764991.db2.gz FZDRCIFYGMIJQW-UHFFFAOYSA-N 2 0 254.378 -0.508 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001356498748 891773467 /nfs/dbraw/zinc/77/34/67/891773467.db2.gz HNEVTWLHQZJVJJ-WDEREUQCSA-N 2 0 270.377 -0.845 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001356499459 891774273 /nfs/dbraw/zinc/77/42/73/891774273.db2.gz RAYCLEZNRRFSNC-AAEUAGOBSA-N 2 0 255.362 -0.441 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCN2CC=CCC2)CC1 ZINC001356598204 891782481 /nfs/dbraw/zinc/78/24/81/891782481.db2.gz YPBATXJTCAWMBY-OAHLLOKOSA-N 2 0 282.432 -0.554 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC001356631212 891782917 /nfs/dbraw/zinc/78/29/17/891782917.db2.gz VDNCXVMOJQKKHE-RHYQMDGZSA-N 2 0 257.378 -0.211 20 0 CBADRP C[C@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)CC[C@@H]1[NH3+] ZINC001356626571 891783249 /nfs/dbraw/zinc/78/32/49/891783249.db2.gz DMTRZSUFNXIGKY-AAEUAGOBSA-N 2 0 269.389 -0.114 20 0 CBADRP NC(=O)NC(=O)CC[NH2+][C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC001357241016 891861410 /nfs/dbraw/zinc/86/14/10/891861410.db2.gz FMEOJYYXQBMSSG-AOOOYVTPSA-N 2 0 254.334 -0.212 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001357346149 891871378 /nfs/dbraw/zinc/87/13/78/891871378.db2.gz HNGWZCDQQLNUGI-ZWNOBZJWSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@]1(C(=O)NCCC[NH+]2CCCC2)C[C@H](O)C[NH2+]1 ZINC001357338794 891872227 /nfs/dbraw/zinc/87/22/27/891872227.db2.gz XEDLGJPHUVDHRK-WCQYABFASA-N 2 0 255.362 -0.299 20 0 CBADRP C[C@@H]1C[N@@H+](CCCCNC(=O)C[C@H](O)C[NH3+])C[C@H](C)O1 ZINC001357366149 891875922 /nfs/dbraw/zinc/87/59/22/891875922.db2.gz FFBYBGGFIIMTOU-XQQFMLRXSA-N 2 0 287.404 -0.298 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H](O)C[NH2+]1 ZINC001357369009 891877473 /nfs/dbraw/zinc/87/74/73/891877473.db2.gz TUNKCQMBLPUZTD-KZVDOYCCSA-N 2 0 267.373 -0.158 20 0 CBADRP C[NH+]1CCC(CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001357385711 891883544 /nfs/dbraw/zinc/88/35/44/891883544.db2.gz YTSZFAJQYQMICZ-ZDUSSCGKSA-N 2 0 296.415 -0.358 20 0 CBADRP [NH3+]CCNCC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001357396961 891886585 /nfs/dbraw/zinc/88/65/85/891886585.db2.gz MJENSJVCKICEMC-LBPRGKRZSA-N 2 0 254.378 -0.379 20 0 CBADRP C[NH2+]C1(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)CCC1 ZINC001357431194 891892667 /nfs/dbraw/zinc/89/26/67/891892667.db2.gz PMYHJOBABJFTOQ-LBPRGKRZSA-N 2 0 268.405 -0.119 20 0 CBADRP CN(C(=O)C1(C[NH3+])CC(O)C1)C1CC[NH+](C)CC1 ZINC001357443625 891894854 /nfs/dbraw/zinc/89/48/54/891894854.db2.gz CLCITSPGDPNIEZ-UHFFFAOYSA-N 2 0 255.362 -0.361 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC001357457415 891896559 /nfs/dbraw/zinc/89/65/59/891896559.db2.gz JEXURISTIXVKFE-LPEHRKFASA-N 2 0 257.334 -0.524 20 0 CBADRP CC1(CNC(=O)N2CCNCC[NH2+]CC2)CC[NH2+]CC1 ZINC001357462467 891897468 /nfs/dbraw/zinc/89/74/68/891897468.db2.gz GQRJXCAISGDXJU-UHFFFAOYSA-N 2 0 283.420 -0.420 20 0 CBADRP CC1(NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[NH2+]CC1 ZINC001357457146 891898719 /nfs/dbraw/zinc/89/87/19/891898719.db2.gz FBWZJKUWPUXQPF-NSHDSACASA-N 2 0 282.388 -0.558 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001357472116 891900186 /nfs/dbraw/zinc/90/01/86/891900186.db2.gz LWWZEPVVEZDIKO-NWDGAFQWSA-N 2 0 255.362 -0.456 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC001357474928 891903225 /nfs/dbraw/zinc/90/32/25/891903225.db2.gz SDFHRLUKHSYDLZ-VXGBXAGGSA-N 2 0 254.378 -0.462 20 0 CBADRP C[C@]1(C(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@H](O)C[NH2+]1 ZINC001357475031 891903752 /nfs/dbraw/zinc/90/37/52/891903752.db2.gz SICWUVUCDFKQOA-WCQYABFASA-N 2 0 267.373 -0.299 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)N2CCNCC[NH2+]CC2)C[NH2+]1 ZINC001357532427 891909012 /nfs/dbraw/zinc/90/90/12/891909012.db2.gz LVSMQOSLWDMAFL-NWDGAFQWSA-N 2 0 269.393 -0.669 20 0 CBADRP CC1(C)CN(C(=O)NC[C@H]2COCC[NH2+]2)C[C@H]1[NH3+] ZINC001357519698 891909467 /nfs/dbraw/zinc/90/94/67/891909467.db2.gz XUTLISICKONKNV-VHSXEESVSA-N 2 0 256.350 -0.647 20 0 CBADRP CC1(C)CN(C(=O)NC[C@H]2COCC[NH2+]2)C[C@@H]1[NH3+] ZINC001357519696 891911539 /nfs/dbraw/zinc/91/15/39/891911539.db2.gz XUTLISICKONKNV-UWVGGRQHSA-N 2 0 256.350 -0.647 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)NCCCCCN2CC[NH2+]CC2)C1 ZINC001357591215 891916950 /nfs/dbraw/zinc/91/69/50/891916950.db2.gz RBGLTVXTCOOHCL-CYBMUJFWSA-N 2 0 283.420 -0.196 20 0 CBADRP CCO[C@@H](CNC(=O)NCC1([NH3+])CC1)C[NH+](C)C ZINC001357591208 891917102 /nfs/dbraw/zinc/91/71/02/891917102.db2.gz RATDKTWZOPPTHY-JTQLQIEISA-N 2 0 258.366 -0.256 20 0 CBADRP C[NH2+]CCOCCNC(=O)Cc1csc(C[NH3+])n1 ZINC001357923249 891947503 /nfs/dbraw/zinc/94/75/03/891947503.db2.gz NALHPLYTWSILGJ-UHFFFAOYSA-N 2 0 272.374 -0.504 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCCC[NH2+]C1CC1 ZINC001357678540 891927218 /nfs/dbraw/zinc/92/72/18/891927218.db2.gz HCMVZTFDSTUUMO-CYBMUJFWSA-N 2 0 284.404 -0.266 20 0 CBADRP COC[C@@]1(C(=O)NCCC[NH2+]C2CC2)C[NH2+]CCO1 ZINC001357678455 891927750 /nfs/dbraw/zinc/92/77/50/891927750.db2.gz GKXIBDVKQHWPFZ-CYBMUJFWSA-N 2 0 271.361 -0.750 20 0 CBADRP [NH3+]CC1(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCOCC1 ZINC001357726590 891929563 /nfs/dbraw/zinc/92/95/63/891929563.db2.gz OEMQFNWKLQOHMC-OUAUKWLOSA-N 2 0 268.361 -0.314 20 0 CBADRP O=C([C@H]1[NH2+]CC12CCCC2)N1CCOC2(C[NH2+]C2)C1 ZINC001357735549 891934268 /nfs/dbraw/zinc/93/42/68/891934268.db2.gz HVWPMCNVTWNGBL-LLVKDONJSA-N 2 0 265.357 -0.281 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@H]1[NH2+]CC12CCOCC2 ZINC001357735802 891934917 /nfs/dbraw/zinc/93/49/17/891934917.db2.gz LPUNDKMLXDITEK-IQLKVPPVSA-N 2 0 265.357 -0.377 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCC1(C[NH3+])CC1 ZINC001357802257 891936175 /nfs/dbraw/zinc/93/61/75/891936175.db2.gz ZHVJIVAIYLLONO-NEPJUHHUSA-N 2 0 266.389 -0.380 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001357813159 891936366 /nfs/dbraw/zinc/93/63/66/891936366.db2.gz XYOLUZDFEIWMLT-LLVKDONJSA-N 2 0 252.362 -0.898 20 0 CBADRP [NH3+][C@@H](CCC(=O)NCC1(O)C[NH2+]C1)c1ccccc1 ZINC001357820745 891936543 /nfs/dbraw/zinc/93/65/43/891936543.db2.gz GQZOFHUUOSGCEE-LBPRGKRZSA-N 2 0 263.341 -0.083 20 0 CBADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001357846992 891939363 /nfs/dbraw/zinc/93/93/63/891939363.db2.gz PRBQKZWQDKKLFD-ZJUUUORDSA-N 2 0 255.362 -0.003 20 0 CBADRP [NH3+][C@H](C(=O)N[C@@H]1COC2(C[NH2+]C2)C1)c1ccccc1 ZINC001357843231 891939777 /nfs/dbraw/zinc/93/97/77/891939777.db2.gz IXWRLLCDYKFROV-RYUDHWBXSA-N 2 0 261.325 -0.067 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2COC3(C[NH2+]C3)C2)C1 ZINC001357846943 891939887 /nfs/dbraw/zinc/93/98/87/891939887.db2.gz OQMYGHISXBTTOE-MNOVXSKESA-N 2 0 253.346 -0.425 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)[C@H](C[NH3+])C1 ZINC001357861048 891941617 /nfs/dbraw/zinc/94/16/17/891941617.db2.gz IMIGDORMKFGCSI-AGIUHOORSA-N 2 0 296.415 -0.231 20 0 CBADRP C[C@H]1[NH2+]CCn2c(C(=O)N[C@@H]3C[NH2+]C[C@@H]3O)ccc21 ZINC001357888765 891944191 /nfs/dbraw/zinc/94/41/91/891944191.db2.gz FXMQGFJTQGZJBR-LNLATYFQSA-N 2 0 264.329 -0.785 20 0 CBADRP C[C@H]([NH3+])CONC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC001357872856 891944509 /nfs/dbraw/zinc/94/45/09/891944509.db2.gz GNKYHCRCXNDUHV-JTQLQIEISA-N 2 0 279.344 -0.500 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001357923856 891946210 /nfs/dbraw/zinc/94/62/10/891946210.db2.gz XKFOQZJKVIUIBJ-QWHCGFSZSA-N 2 0 284.404 -0.931 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)C1(C2CC[NH2+]CC2)CC1 ZINC001357939115 891946292 /nfs/dbraw/zinc/94/62/92/891946292.db2.gz RGEHGLASYFDNHB-LBPRGKRZSA-N 2 0 267.373 -0.129 20 0 CBADRP [NH3+][C@H](Cc1ccccn1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001357937480 891947274 /nfs/dbraw/zinc/94/72/74/891947274.db2.gz CSSBKJFIWRIIPE-NWDGAFQWSA-N 2 0 264.329 -0.944 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC001357967077 891950868 /nfs/dbraw/zinc/95/08/68/891950868.db2.gz PHSNYSZGWBWOCV-GHMZBOCLSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001357969175 891953503 /nfs/dbraw/zinc/95/35/03/891953503.db2.gz IBKPMTMROTVKNU-FVCCEPFGSA-N 2 0 264.373 -0.663 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001358070635 891967450 /nfs/dbraw/zinc/96/74/50/891967450.db2.gz WUVUKVUNJNRILX-MROQNXINSA-N 2 0 266.389 -0.654 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC001358083045 891969224 /nfs/dbraw/zinc/96/92/24/891969224.db2.gz FCNHHMUURYAZDM-UTUOFQBUSA-N 2 0 255.362 -0.273 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)c1cn(CC[NH3+])nn1 ZINC001358118432 891970594 /nfs/dbraw/zinc/97/05/94/891970594.db2.gz GZKJWZGPFWVDQR-JTQLQIEISA-N 2 0 266.349 -0.549 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC[C@H]([NH3+])C1 ZINC001358129797 891974025 /nfs/dbraw/zinc/97/40/25/891974025.db2.gz FTVKEDYBMCTYML-GRYCIOLGSA-N 2 0 252.362 -0.676 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)c2cn(CCCC[NH3+])nn2)CC[N@@H+]1C ZINC001358185323 891977665 /nfs/dbraw/zinc/97/76/65/891977665.db2.gz IUGBEGJYSHCPRS-MNOVXSKESA-N 2 0 280.376 -0.161 20 0 CBADRP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC001358239557 891983033 /nfs/dbraw/zinc/98/30/33/891983033.db2.gz MGRWCOPGPDLUKG-LLVKDONJSA-N 2 0 292.387 -0.878 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC001358405905 891999581 /nfs/dbraw/zinc/99/95/81/891999581.db2.gz DIGSOGBUCVZZGR-JTQLQIEISA-N 2 0 266.349 -0.645 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)N[C@H]2C[C@H](C[NH3+])C2)CCOCC1 ZINC001358486965 892013516 /nfs/dbraw/zinc/01/35/16/892013516.db2.gz NQVKLUSOVSNSSR-DCAQKATOSA-N 2 0 255.362 -0.016 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001362361158 892625089 /nfs/dbraw/zinc/62/50/89/892625089.db2.gz WZSPPUYYVXAPKJ-AAEUAGOBSA-N 2 0 275.368 -0.151 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001362361190 892625441 /nfs/dbraw/zinc/62/54/41/892625441.db2.gz WZSPPUYYVXAPKJ-YPMHNXCESA-N 2 0 275.368 -0.151 20 0 CBADRP O=C(CC[NH+]1CC[C@@H](F)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001362629235 892863270 /nfs/dbraw/zinc/86/32/70/892863270.db2.gz XVUOSLBIRRFTNJ-FRRDWIJNSA-N 2 0 285.363 -0.302 20 0 CBADRP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21)[C@@H]1CCC[C@H]1O ZINC001362913923 893166383 /nfs/dbraw/zinc/16/63/83/893166383.db2.gz AZYHLAWAVGGASO-RFQIPJPRSA-N 2 0 281.400 -0.006 20 0 CBADRP O=C(CC[N@@H+]1CC[C@H](F)C1)N[C@H](CO)C[NH+]1CCCC1 ZINC001362963584 893208298 /nfs/dbraw/zinc/20/82/98/893208298.db2.gz UGIQTGSBLPGUAN-STQMWFEESA-N 2 0 287.379 -0.007 20 0 CBADRP CC[C@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001451092843 913771076 /nfs/dbraw/zinc/77/10/76/913771076.db2.gz RPZJSSJSWBRDNR-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001363489981 893730909 /nfs/dbraw/zinc/73/09/09/893730909.db2.gz KVUISDMNDXHYSN-ZFWWWQNUSA-N 2 0 297.399 -0.579 20 0 CBADRP C[NH+](C)C[C@]1(O)CCN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)C1 ZINC001363677685 893908849 /nfs/dbraw/zinc/90/88/49/893908849.db2.gz OVVLLEMGGSGNCJ-TZMCWYRMSA-N 2 0 287.379 -0.055 20 0 CBADRP C[NH+]1CCC(C[NH2+]C(C)(C)CNS(N)(=O)=O)CC1 ZINC001363693438 893916606 /nfs/dbraw/zinc/91/66/06/893916606.db2.gz NNDXLXSNENXRHR-UHFFFAOYSA-N 2 0 278.422 -0.511 20 0 CBADRP Nc1nc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)nc(N)[nH+]1 ZINC001364225162 894265432 /nfs/dbraw/zinc/26/54/32/894265432.db2.gz KIUMEVVMEKTYRE-JTQLQIEISA-N 2 0 293.375 -0.227 20 0 CBADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](O)[C@H](CO)C2)CC1 ZINC001364418095 894402600 /nfs/dbraw/zinc/40/26/00/894402600.db2.gz OOEVLTFWROZEQD-LSDHHAIUSA-N 2 0 285.432 -0.313 20 0 CBADRP CN(C)c1ccncc1C[NH2+]C[C@@H](O)Cn1ccnn1 ZINC001365453757 894972631 /nfs/dbraw/zinc/97/26/31/894972631.db2.gz GFYGOFZKUGKVHU-GFCCVEGCSA-N 2 0 276.344 -0.110 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC001365821642 895127897 /nfs/dbraw/zinc/12/78/97/895127897.db2.gz PFWQGUXEDXUFRW-FVCCEPFGSA-N 2 0 298.431 -0.069 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC001365850412 895131695 /nfs/dbraw/zinc/13/16/95/895131695.db2.gz XYBCTLYTAVXSKJ-DDHJBXDOSA-N 2 0 284.404 -0.315 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)[NH+](C)C ZINC001365850406 895131988 /nfs/dbraw/zinc/13/19/88/895131988.db2.gz XXJDSVZFNOHGPO-ZDEQEGDKSA-N 2 0 296.415 -0.301 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001365833434 895132197 /nfs/dbraw/zinc/13/21/97/895132197.db2.gz PUCQYVGDAPDPNO-FDYHWXHSSA-N 2 0 296.415 -0.443 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001365857124 895135240 /nfs/dbraw/zinc/13/52/40/895135240.db2.gz JZQMDIUTQREKJY-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001365854115 895136543 /nfs/dbraw/zinc/13/65/43/895136543.db2.gz XHQMSXQBVTZUEC-JHJVBQTASA-N 2 0 296.415 -0.301 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001366050062 895179296 /nfs/dbraw/zinc/17/92/96/895179296.db2.gz QXJYGEMBQGOJEP-GFCCVEGCSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H]([NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1)C(N)=O ZINC001366070349 895180661 /nfs/dbraw/zinc/18/06/61/895180661.db2.gz WVUGDCWGZOTIJX-ZYHUDNBSSA-N 2 0 294.399 -0.560 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001366072994 895182658 /nfs/dbraw/zinc/18/26/58/895182658.db2.gz DSVCPHXUJUVEJL-OLZOCXBDSA-N 2 0 296.415 -0.406 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H]([NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001366082404 895185114 /nfs/dbraw/zinc/18/51/14/895185114.db2.gz ZOVSHDBGCOETBL-CHWSQXEVSA-N 2 0 294.399 -0.545 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001366097351 895188673 /nfs/dbraw/zinc/18/86/73/895188673.db2.gz GVMMOZGLSAARPR-RDBSUJKOSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001366105125 895191497 /nfs/dbraw/zinc/19/14/97/895191497.db2.gz RBKBODHWWSATFX-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001366104266 895191892 /nfs/dbraw/zinc/19/18/92/895191892.db2.gz KBAPQUQVEHKIGT-HZSPNIEDSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001366122231 895197965 /nfs/dbraw/zinc/19/79/65/895197965.db2.gz VAOGNYHSJJFTAI-JOCQHMNTSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001366149916 895208088 /nfs/dbraw/zinc/20/80/88/895208088.db2.gz MOHROVVGSWSLNX-OBPIAQAESA-N 2 0 296.415 -0.302 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001366166635 895215043 /nfs/dbraw/zinc/21/50/43/895215043.db2.gz DVVPTFQIQMPDLQ-UPJWGTAASA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)C1(C(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)CCC1 ZINC001366187024 895219255 /nfs/dbraw/zinc/21/92/55/895219255.db2.gz ANMDRMQHSDBSTN-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C1CC1 ZINC001366358231 895288142 /nfs/dbraw/zinc/28/81/42/895288142.db2.gz NPFHODZCHQPVAA-RYUDHWBXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCn1cncn1 ZINC001366356908 895289816 /nfs/dbraw/zinc/28/98/16/895289816.db2.gz JJTOOHAJAWZHED-RYUDHWBXSA-N 2 0 280.376 -0.676 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001366389839 895306152 /nfs/dbraw/zinc/30/61/52/895306152.db2.gz IKEZVRCDMOZVFA-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001366384363 895307567 /nfs/dbraw/zinc/30/75/67/895307567.db2.gz AFNXMHNLMSDQND-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001366392333 895309087 /nfs/dbraw/zinc/30/90/87/895309087.db2.gz PEISUICWVKVDGJ-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001366396144 895310987 /nfs/dbraw/zinc/31/09/87/895310987.db2.gz AWLWLJSOVDPENH-IJLUTSLNSA-N 2 0 282.388 -0.750 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001366462646 895327867 /nfs/dbraw/zinc/32/78/67/895327867.db2.gz GXKQHGIYVGAPRA-SDDRHHMPSA-N 2 0 284.404 -0.314 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001366471271 895328487 /nfs/dbraw/zinc/32/84/87/895328487.db2.gz HERBWNLZRAVULX-FRRDWIJNSA-N 2 0 287.404 -0.428 20 0 CBADRP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H]1CCNC1=O ZINC001366501322 895335261 /nfs/dbraw/zinc/33/52/61/895335261.db2.gz VWIXKOIXMSBYLQ-RYUDHWBXSA-N 2 0 294.399 -0.545 20 0 CBADRP CC[C@@H](C(N)=O)N(C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001366537285 895362555 /nfs/dbraw/zinc/36/25/55/895362555.db2.gz NZHCMXJDWUGCGE-LBPRGKRZSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@H](O)COC ZINC001366639145 895416691 /nfs/dbraw/zinc/41/66/91/895416691.db2.gz FHJLGKHBMRGIKB-OLZOCXBDSA-N 2 0 287.404 -0.617 20 0 CBADRP CNC(=O)[C@@H](C)N1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001366674816 895425339 /nfs/dbraw/zinc/42/53/39/895425339.db2.gz IQDNVCJOJXZJHT-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001366663623 895426647 /nfs/dbraw/zinc/42/66/47/895426647.db2.gz BCIVKFZUSGGXPN-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C[N@H+](C)C1CCC1 ZINC001366768216 895454225 /nfs/dbraw/zinc/45/42/25/895454225.db2.gz NNRYQILQRMZXLV-GFCCVEGCSA-N 2 0 282.388 -0.593 20 0 CBADRP CNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001366876033 895477053 /nfs/dbraw/zinc/47/70/53/895477053.db2.gz XFAMDXYWGAHOLU-ZDUSSCGKSA-N 2 0 298.431 -0.147 20 0 CBADRP CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001366885909 895477635 /nfs/dbraw/zinc/47/76/35/895477635.db2.gz XOTRBDGWJQTWMF-JSGCOSHPSA-N 2 0 298.431 -0.162 20 0 CBADRP COC[C@H](O)CN1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001366937710 895495556 /nfs/dbraw/zinc/49/55/56/895495556.db2.gz APHAAJZSPMKMQQ-DGCLKSJQSA-N 2 0 285.388 -0.864 20 0 CBADRP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001366987542 895517213 /nfs/dbraw/zinc/51/72/13/895517213.db2.gz DSEMHDNNUWTOJM-QWHCGFSZSA-N 2 0 299.415 -0.617 20 0 CBADRP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)N(C)C ZINC001367130574 895571988 /nfs/dbraw/zinc/57/19/88/895571988.db2.gz XECXEXILDGZUOH-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]CC(=O)NC ZINC001367131694 895575504 /nfs/dbraw/zinc/57/55/04/895575504.db2.gz JWIKHZVZAMBRQS-QWRGUYRKSA-N 2 0 272.393 -0.443 20 0 CBADRP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]CC(=O)NC ZINC001367131692 895576196 /nfs/dbraw/zinc/57/61/96/895576196.db2.gz JWIKHZVZAMBRQS-GHMZBOCLSA-N 2 0 272.393 -0.443 20 0 CBADRP C[N@H+](CC(=O)NC1(C[NH2+]CC(N)=O)CCCC1)C1CCC1 ZINC001367158423 895578671 /nfs/dbraw/zinc/57/86/71/895578671.db2.gz RYQVJQIFBQLZNF-UHFFFAOYSA-N 2 0 296.415 -0.025 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)NC1CC1 ZINC001367281261 895601528 /nfs/dbraw/zinc/60/15/28/895601528.db2.gz AYORWSIKBKVYGR-NWDGAFQWSA-N 2 0 296.415 -0.441 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367280525 895602804 /nfs/dbraw/zinc/60/28/04/895602804.db2.gz AIYLUISJXJLLKZ-OLZOCXBDSA-N 2 0 298.431 -0.195 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001367272180 895602950 /nfs/dbraw/zinc/60/29/50/895602950.db2.gz HQTXIINDMOJRGS-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+][C@H]1CCN(C)C1=O ZINC001367286030 895604172 /nfs/dbraw/zinc/60/41/72/895604172.db2.gz HMJIFSGRXCEVBQ-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001367324577 895617301 /nfs/dbraw/zinc/61/73/01/895617301.db2.gz PHIONRCZQFDMOJ-UHFFFAOYSA-N 2 0 284.404 -0.168 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001367381674 895629162 /nfs/dbraw/zinc/62/91/62/895629162.db2.gz ZSWXTNITCDOSKR-GHMZBOCLSA-N 2 0 272.393 -0.491 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001367406829 895632427 /nfs/dbraw/zinc/63/24/27/895632427.db2.gz QQLKTVLBASJIMM-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367406828 895632597 /nfs/dbraw/zinc/63/25/97/895632597.db2.gz QQLKTVLBASJIMM-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001367412658 895632982 /nfs/dbraw/zinc/63/29/82/895632982.db2.gz JXWQDQAZNKCHOU-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001367401856 895633160 /nfs/dbraw/zinc/63/31/60/895633160.db2.gz GFNAVPKWFZDNHD-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]CC(N)=O ZINC001367456395 895638341 /nfs/dbraw/zinc/63/83/41/895638341.db2.gz YSYXTSSXHOQANO-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]CC(N)=O ZINC001367456393 895639382 /nfs/dbraw/zinc/63/93/82/895639382.db2.gz YSYXTSSXHOQANO-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001367451830 895639913 /nfs/dbraw/zinc/63/99/13/895639913.db2.gz VIDCVEJIQDESLY-RYUDHWBXSA-N 2 0 284.404 -0.362 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC(N)=O)CCC1 ZINC001367558098 895661748 /nfs/dbraw/zinc/66/17/48/895661748.db2.gz BRDUZPJNQRXYEP-NWDGAFQWSA-N 2 0 296.415 -0.170 20 0 CBADRP Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001367588583 895687143 /nfs/dbraw/zinc/68/71/43/895687143.db2.gz XTDNZUVMHHFCRU-NEPJUHHUSA-N 2 0 295.387 -0.919 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367606788 895697388 /nfs/dbraw/zinc/69/73/88/895697388.db2.gz OOIVBSBXIJEOBO-RYUDHWBXSA-N 2 0 287.404 -0.692 20 0 CBADRP Cc1oncc1C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001367621659 895710013 /nfs/dbraw/zinc/71/00/13/895710013.db2.gz DJZLXAZVRXJACL-CYBMUJFWSA-N 2 0 296.371 -0.354 20 0 CBADRP COC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001367620886 895710116 /nfs/dbraw/zinc/71/01/16/895710116.db2.gz CHQWWFJVJMRIAE-VXGBXAGGSA-N 2 0 273.377 -0.816 20 0 CBADRP COC[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001367627536 895713199 /nfs/dbraw/zinc/71/31/99/895713199.db2.gz VLKXOEGZYUQOBI-NEPJUHHUSA-N 2 0 285.388 -0.816 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001367662196 895728727 /nfs/dbraw/zinc/72/87/27/895728727.db2.gz FFMDEWYWGAKYEE-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001367662942 895732042 /nfs/dbraw/zinc/73/20/42/895732042.db2.gz VBGFSZBKDKSEHU-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001367681726 895745241 /nfs/dbraw/zinc/74/52/41/895745241.db2.gz ABBWEILYTCQVNX-VXGBXAGGSA-N 2 0 286.420 -0.116 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001367681519 895745669 /nfs/dbraw/zinc/74/56/69/895745669.db2.gz SWLBVEZOJQPDAM-GHMZBOCLSA-N 2 0 272.393 -0.491 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367690339 895750547 /nfs/dbraw/zinc/75/05/47/895750547.db2.gz UDHIZCWVAHASRD-IJLUTSLNSA-N 2 0 273.377 -0.818 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001367697014 895755544 /nfs/dbraw/zinc/75/55/44/895755544.db2.gz UOZSKJTYTAVAEX-YPMHNXCESA-N 2 0 296.415 -0.347 20 0 CBADRP CCN(CC)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367711112 895759131 /nfs/dbraw/zinc/75/91/31/895759131.db2.gz DVOLZKQCBDFTFW-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001367712177 895761852 /nfs/dbraw/zinc/76/18/52/895761852.db2.gz LJCCJZZLUJGXPI-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367750058 895786158 /nfs/dbraw/zinc/78/61/58/895786158.db2.gz UXKUOXXLXGAYJW-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001367758240 895789696 /nfs/dbraw/zinc/78/96/96/895789696.db2.gz SBLGDPSDFCSZKQ-JQWIXIFHSA-N 2 0 282.392 -0.250 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001367765556 895797634 /nfs/dbraw/zinc/79/76/34/895797634.db2.gz CDZYKDAYZOGIGR-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)C[NH+]1CCC(C)CC1 ZINC001367762989 895798949 /nfs/dbraw/zinc/79/89/49/895798949.db2.gz OSSGOEXLGZQVRH-RYUDHWBXSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](C[N@H+](C)[C@@H]1CCCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001367827554 895821323 /nfs/dbraw/zinc/82/13/23/895821323.db2.gz AAEHKDFCIMTRAG-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001367990776 895882186 /nfs/dbraw/zinc/88/21/86/895882186.db2.gz LRNSWEZUKPWVKR-VXGBXAGGSA-N 2 0 285.388 -0.674 20 0 CBADRP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001368009937 895887646 /nfs/dbraw/zinc/88/76/46/895887646.db2.gz ADKNLZRCYQYYNK-QWHCGFSZSA-N 2 0 299.415 -0.284 20 0 CBADRP C[NH+](C)CCC(=O)NCC1([NH2+]CCN2CCCC2=O)CC1 ZINC001368019390 895891356 /nfs/dbraw/zinc/89/13/56/895891356.db2.gz UHIOWJFIUDYCQB-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP CCN(C)C(=O)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001368019505 895893915 /nfs/dbraw/zinc/89/39/15/895893915.db2.gz UYVZOOFOASRBNP-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001368036333 895895118 /nfs/dbraw/zinc/89/51/18/895895118.db2.gz PXEXJFGYBSGMQI-LLVKDONJSA-N 2 0 282.388 -0.735 20 0 CBADRP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001368037292 895895403 /nfs/dbraw/zinc/89/54/03/895895403.db2.gz VFRRBXLKBNAYRX-NEPJUHHUSA-N 2 0 285.388 -0.816 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001368111027 895914199 /nfs/dbraw/zinc/91/41/99/895914199.db2.gz RVTXOCLYUXMLEG-MELADBBJSA-N 2 0 299.415 -0.332 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001368109976 895915720 /nfs/dbraw/zinc/91/57/20/895915720.db2.gz PELGANKJFZZBAZ-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001368259076 895950482 /nfs/dbraw/zinc/95/04/82/895950482.db2.gz JJDFGPSMXIJUGZ-JSGCOSHPSA-N 2 0 287.404 -0.738 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001368502686 896022684 /nfs/dbraw/zinc/02/26/84/896022684.db2.gz XYBCTLYTAVXSKJ-YFKTTZPYSA-N 2 0 284.404 -0.315 20 0 CBADRP CNC(=O)[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001368568403 896037812 /nfs/dbraw/zinc/03/78/12/896037812.db2.gz WIQRQAHEHSAYNH-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001368612921 896045138 /nfs/dbraw/zinc/04/51/38/896045138.db2.gz LYBUDAHGSVCNSU-HIFRSBDPSA-N 2 0 299.415 -0.330 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001368609294 896045731 /nfs/dbraw/zinc/04/57/31/896045731.db2.gz RCCDOZNCXDJAAF-AVGNSLFASA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001368743715 896069529 /nfs/dbraw/zinc/06/95/29/896069529.db2.gz OJJRTKKHPFPIOX-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001368732274 896071597 /nfs/dbraw/zinc/07/15/97/896071597.db2.gz RNZGTALZWLYPRE-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCn1cncn1 ZINC001368747127 896073758 /nfs/dbraw/zinc/07/37/58/896073758.db2.gz DXPQKMWAXOKPMK-STQMWFEESA-N 2 0 294.403 -0.286 20 0 CBADRP COC[C@H](O)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001368815713 896086791 /nfs/dbraw/zinc/08/67/91/896086791.db2.gz KYXUTOSLOJWWES-NWINJMCUSA-N 2 0 299.415 -0.428 20 0 CBADRP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+][C@@H](C)C(N)=O)C1 ZINC001368823981 896091940 /nfs/dbraw/zinc/09/19/40/896091940.db2.gz RTTCFCCQSMSESF-UNXYVOJBSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1cnnn1C ZINC001368905006 896106773 /nfs/dbraw/zinc/10/67/73/896106773.db2.gz GOWQAUSZEZJPRB-RYUDHWBXSA-N 2 0 294.403 -0.106 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(=O)NC)C1)[NH+](C)C ZINC001369178904 896164888 /nfs/dbraw/zinc/16/48/88/896164888.db2.gz GGWBFQSDHJKHPU-LPWJVIDDSA-N 2 0 298.431 -0.055 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001369188894 896166912 /nfs/dbraw/zinc/16/69/12/896166912.db2.gz ZPXVCKSANSBTRY-GFCCVEGCSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(N)=O ZINC001369192309 896167348 /nfs/dbraw/zinc/16/73/48/896167348.db2.gz KPKCLARNBDPIOR-JHJVBQTASA-N 2 0 298.431 -0.068 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001369182896 896167880 /nfs/dbraw/zinc/16/78/80/896167880.db2.gz VVSRBQOTXBWIAC-HUBLWGQQSA-N 2 0 294.399 -0.558 20 0 CBADRP CCN1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H](C)O)C2)C1 ZINC001369186791 896168339 /nfs/dbraw/zinc/16/83/39/896168339.db2.gz SJLBTYKRHJSCDA-SYQHCUMBSA-N 2 0 299.415 -0.428 20 0 CBADRP CC(C)[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(N)=O ZINC001369194355 896168896 /nfs/dbraw/zinc/16/88/96/896168896.db2.gz BYEMUDNNSOJAAY-CHWSQXEVSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001369272154 896184675 /nfs/dbraw/zinc/18/46/75/896184675.db2.gz MJBGIXOQDBUNAC-WDEREUQCSA-N 2 0 284.404 -0.362 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001369272900 896185694 /nfs/dbraw/zinc/18/56/94/896185694.db2.gz NPYNTYNKKCLPIQ-LLVKDONJSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001369278474 896185912 /nfs/dbraw/zinc/18/59/12/896185912.db2.gz SMXFNMXITQRIGT-RYUDHWBXSA-N 2 0 286.420 -0.149 20 0 CBADRP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001369299847 896190426 /nfs/dbraw/zinc/19/04/26/896190426.db2.gz CGZFTDUUBCHLCR-NEPJUHHUSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCn1cncn1 ZINC001369307444 896195579 /nfs/dbraw/zinc/19/55/79/896195579.db2.gz QVPQXTDMJQMUTO-STQMWFEESA-N 2 0 294.403 -0.334 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001369307565 896196546 /nfs/dbraw/zinc/19/65/46/896196546.db2.gz HTVYYJFRSQLLPU-STQMWFEESA-N 2 0 298.431 -0.006 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369312471 896203185 /nfs/dbraw/zinc/20/31/85/896203185.db2.gz ZUXICFUHZNKASH-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCF ZINC001369349097 896233011 /nfs/dbraw/zinc/23/30/11/896233011.db2.gz WVAOCNGDECUVKK-VXGBXAGGSA-N 2 0 275.368 -0.103 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H]1C ZINC001369395231 896257139 /nfs/dbraw/zinc/25/71/39/896257139.db2.gz RUFAAQYLRIYMLR-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001369405368 896258271 /nfs/dbraw/zinc/25/82/71/896258271.db2.gz OLFLXGXWTRWLFQ-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH+](C)CCO ZINC001369518343 896304482 /nfs/dbraw/zinc/30/44/82/896304482.db2.gz YNLNOVJMDWKVFW-GFCCVEGCSA-N 2 0 275.393 -0.930 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001369866813 896353800 /nfs/dbraw/zinc/35/38/00/896353800.db2.gz BXUODSYRNGDTFJ-ZIAGYGMSSA-N 2 0 299.415 -0.330 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001370230153 896413603 /nfs/dbraw/zinc/41/36/03/896413603.db2.gz VBIZRZXYQYGGKK-CMPLNLGQSA-N 2 0 282.388 -0.702 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC)C1)[NH+](C)C ZINC001370486447 896438186 /nfs/dbraw/zinc/43/81/86/896438186.db2.gz DSOKNHAILLANRG-DDHJBXDOSA-N 2 0 284.404 -0.302 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001370565372 896441353 /nfs/dbraw/zinc/44/13/53/896441353.db2.gz ZZESWDAPABHHAL-CYDGBPFRSA-N 2 0 285.388 -0.818 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001370632255 896452753 /nfs/dbraw/zinc/45/27/53/896452753.db2.gz ADVKWRJFYNTXBX-UMNHJUIQSA-N 2 0 270.377 -0.705 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001370661684 896467185 /nfs/dbraw/zinc/46/71/85/896467185.db2.gz CJKWGHLUTNGSEX-GRYCIOLGSA-N 2 0 294.399 -0.547 20 0 CBADRP CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001370672091 896473153 /nfs/dbraw/zinc/47/31/53/896473153.db2.gz YKOUPHJKYZQJQQ-XQQFMLRXSA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001370682214 896478182 /nfs/dbraw/zinc/47/81/82/896478182.db2.gz UZFHPLPUYDBXLX-TXEJJXNPSA-N 2 0 298.431 -0.053 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001370719275 896486909 /nfs/dbraw/zinc/48/69/09/896486909.db2.gz ZZESWDAPABHHAL-NDBYEHHHSA-N 2 0 285.388 -0.818 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001370772782 896496398 /nfs/dbraw/zinc/49/63/98/896496398.db2.gz JOZZKTSQXPBZON-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001370801816 896504637 /nfs/dbraw/zinc/50/46/37/896504637.db2.gz CXCWHIAXMLHNOS-OCCSQVGLSA-N 2 0 298.431 -0.114 20 0 CBADRP COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001371001102 896532579 /nfs/dbraw/zinc/53/25/79/896532579.db2.gz JAOKXNLFYQNYQM-DGTMBMJNSA-N 2 0 297.399 -0.866 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N1CCCC1 ZINC001371144857 896554747 /nfs/dbraw/zinc/55/47/47/896554747.db2.gz WWLSNOQVWXRLTI-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N1CCCC1 ZINC001371144853 896554900 /nfs/dbraw/zinc/55/49/00/896554900.db2.gz WWLSNOQVWXRLTI-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CCn1cncn1 ZINC001371213330 896577291 /nfs/dbraw/zinc/57/72/91/896577291.db2.gz QKJDPVAORHTJKA-GFCCVEGCSA-N 2 0 294.403 -0.143 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001371346720 896597461 /nfs/dbraw/zinc/59/74/61/896597461.db2.gz MVERXRAJAZAGPU-SNVBAGLBSA-N 2 0 270.377 -0.832 20 0 CBADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001371361731 896597893 /nfs/dbraw/zinc/59/78/93/896597893.db2.gz GORGCPCHIYQSLF-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@H](C)C(=O)NC ZINC001371412242 896605482 /nfs/dbraw/zinc/60/54/82/896605482.db2.gz WUWINNXGBSVVKR-WDEREUQCSA-N 2 0 272.393 -0.443 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001371411378 896607022 /nfs/dbraw/zinc/60/70/22/896607022.db2.gz UXRCJFUPCYXVNF-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H](C)C(=O)NC ZINC001371424414 896609849 /nfs/dbraw/zinc/60/98/49/896609849.db2.gz IBJIYAPOZZHYQM-WDEREUQCSA-N 2 0 272.393 -0.443 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001371471180 896615164 /nfs/dbraw/zinc/61/51/64/896615164.db2.gz JSSOGWVYPABLLK-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001371539037 896633598 /nfs/dbraw/zinc/63/35/98/896633598.db2.gz PCYDQMZFJXAYEM-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C ZINC001371827891 896667552 /nfs/dbraw/zinc/66/75/52/896667552.db2.gz OQVUUBCFCSCEBT-MNOVXSKESA-N 2 0 272.393 -0.443 20 0 CBADRP C[NH+](C)CCC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001371986903 896702469 /nfs/dbraw/zinc/70/24/69/896702469.db2.gz MIOQBVCZDCZZAM-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP CN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001372547405 896807875 /nfs/dbraw/zinc/80/78/75/896807875.db2.gz DQQPOECFDVMXQR-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001372614734 896824903 /nfs/dbraw/zinc/82/49/03/896824903.db2.gz UDQXZPPNIQIUNF-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP Cn1ncc(CN2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)n1 ZINC001372652383 896827851 /nfs/dbraw/zinc/82/78/51/896827851.db2.gz PLOCELRNFSXCJB-LBPRGKRZSA-N 2 0 294.403 -0.295 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC)CC[N@@H+]1C ZINC001372942202 896909172 /nfs/dbraw/zinc/90/91/72/896909172.db2.gz PZNZUTFAMOMVAH-RWMBFGLXSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001372994106 896920670 /nfs/dbraw/zinc/92/06/70/896920670.db2.gz TZIFJPQVVIJQKX-NWDGAFQWSA-N 2 0 284.404 -0.537 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001373159549 896949218 /nfs/dbraw/zinc/94/92/18/896949218.db2.gz OWPWTBVDKFIQDO-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001373195201 896955563 /nfs/dbraw/zinc/95/55/63/896955563.db2.gz KMHANBZHVARKJY-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001373311818 896974279 /nfs/dbraw/zinc/97/42/79/896974279.db2.gz KDLRQWBNJQLSSS-NWDGAFQWSA-N 2 0 282.388 -0.796 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001373370419 896987994 /nfs/dbraw/zinc/98/79/94/896987994.db2.gz VYTSFSXNPFMXLI-MGPQQGTHSA-N 2 0 299.415 -0.332 20 0 CBADRP C[NH+]1CCC(OCC(=O)NCC2C[NH+](CCCO)C2)CC1 ZINC001373548256 897048499 /nfs/dbraw/zinc/04/84/99/897048499.db2.gz RSGGSDIQRFJOJX-UHFFFAOYSA-N 2 0 299.415 -0.472 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001373596256 897065335 /nfs/dbraw/zinc/06/53/35/897065335.db2.gz PXEWQWIHAZRAJD-JSGCOSHPSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[NH+](CC)CC(=O)N(C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001453657692 914126399 /nfs/dbraw/zinc/12/63/99/914126399.db2.gz ROBOMAXOIRXSKW-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]([NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1)C(N)=O ZINC001373842446 897130564 /nfs/dbraw/zinc/13/05/64/897130564.db2.gz LILPNNSILHPXKS-NEPJUHHUSA-N 2 0 296.415 -0.027 20 0 CBADRP C[N@H+](CC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1)C1CCC1 ZINC001373914064 897137754 /nfs/dbraw/zinc/13/77/54/897137754.db2.gz AHEZCIYMMBZUKE-HAQNSBGRSA-N 2 0 296.415 -0.027 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001373973132 897145567 /nfs/dbraw/zinc/14/55/67/897145567.db2.gz SYUDUSZVPNITCJ-LLVKDONJSA-N 2 0 270.377 -0.608 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001453700224 914131926 /nfs/dbraw/zinc/13/19/26/914131926.db2.gz DSXZFBLBTKZWQV-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)NC)[NH+](C)C ZINC001374098947 897171361 /nfs/dbraw/zinc/17/13/61/897171361.db2.gz QBHVUMRKTOQMIE-MNOVXSKESA-N 2 0 272.393 -0.586 20 0 CBADRP CC[C@H]([NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001374101929 897172285 /nfs/dbraw/zinc/17/22/85/897172285.db2.gz XVGDTINQJZMHCQ-NEPJUHHUSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001374210058 897190793 /nfs/dbraw/zinc/19/07/93/897190793.db2.gz YPLTVHHVWCUKRA-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001374287345 897208213 /nfs/dbraw/zinc/20/82/13/897208213.db2.gz MJMSRFQGOLSAPO-SNVBAGLBSA-N 2 0 270.377 -0.750 20 0 CBADRP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H]1CCCNC1=O ZINC001374431339 897223889 /nfs/dbraw/zinc/22/38/89/897223889.db2.gz KWPFFYLHRZMNDS-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP Cc1nc(C)c(C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)o1 ZINC001374640067 897323022 /nfs/dbraw/zinc/32/30/22/897323022.db2.gz FNYJXOSYDQLUOQ-LBPRGKRZSA-N 2 0 298.387 -0.190 20 0 CBADRP CC[C@@H](C(=O)N1CC(NC(=O)C[NH+](CC)CC)C1)[NH+](C)C ZINC001374649752 897323854 /nfs/dbraw/zinc/32/38/54/897323854.db2.gz HQCPONORMIIXCH-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCCOC1 ZINC001374642893 897325664 /nfs/dbraw/zinc/32/56/64/897325664.db2.gz OYACYYZRBVLCPN-OLZOCXBDSA-N 2 0 287.404 -0.569 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001374780778 897389032 /nfs/dbraw/zinc/38/90/32/897389032.db2.gz QYRXHZXGXARBNV-OLZOCXBDSA-N 2 0 299.415 -0.284 20 0 CBADRP C[C@H](C[NH2+]C[C@@H]1CCNC(=O)CC1)NC(=O)CC[NH+](C)C ZINC001374810677 897400485 /nfs/dbraw/zinc/40/04/85/897400485.db2.gz FVDTWNKZSPBHJG-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001374871816 897414770 /nfs/dbraw/zinc/41/47/70/897414770.db2.gz BGCBNDBZECTSHE-NWDGAFQWSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374933248 897438495 /nfs/dbraw/zinc/43/84/95/897438495.db2.gz GKFIHMXPSYQRJC-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001374962904 897441992 /nfs/dbraw/zinc/44/19/92/897441992.db2.gz NIOJNEASZRQAHN-WCQYABFASA-N 2 0 286.420 -0.245 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374961925 897442988 /nfs/dbraw/zinc/44/29/88/897442988.db2.gz NXQHPMXLMGZOSS-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@@H]1CCN(C)C1=O ZINC001375144653 897481163 /nfs/dbraw/zinc/48/11/63/897481163.db2.gz BPAAXLUTBPZLOR-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001375405080 897537297 /nfs/dbraw/zinc/53/72/97/897537297.db2.gz SQTIWSCQZGGCNJ-NSHDSACASA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001375422113 897537478 /nfs/dbraw/zinc/53/74/78/897537478.db2.gz URTBARCOHZSTJR-AAEUAGOBSA-N 2 0 281.400 -0.053 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001375467956 897549160 /nfs/dbraw/zinc/54/91/60/897549160.db2.gz WMELAMTXOBAENL-SNVBAGLBSA-N 2 0 270.377 -0.689 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)CCC[NH+](C)C)CC1 ZINC001375476645 897551754 /nfs/dbraw/zinc/55/17/54/897551754.db2.gz YVOUDNVLVYWBJZ-UHFFFAOYSA-N 2 0 270.377 -0.687 20 0 CBADRP CC[C@H]([NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001375524109 897558832 /nfs/dbraw/zinc/55/88/32/897558832.db2.gz ZVDYQDKZVXRGFZ-RYUDHWBXSA-N 2 0 296.415 -0.170 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001375547632 897562090 /nfs/dbraw/zinc/56/20/90/897562090.db2.gz LLDMMSSZMYWGEA-GFCCVEGCSA-N 2 0 296.415 -0.027 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+][C@H]3CCCNC3=O)CC2)C1 ZINC001375546837 897564311 /nfs/dbraw/zinc/56/43/11/897564311.db2.gz ZLSWQZWHCPBKIV-NEPJUHHUSA-N 2 0 294.399 -0.545 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001375544228 897564732 /nfs/dbraw/zinc/56/47/32/897564732.db2.gz SHYAAMOEGBWUIP-JHJVBQTASA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001375764305 897601731 /nfs/dbraw/zinc/60/17/31/897601731.db2.gz ORVDZPNYEKGRNS-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001375750104 897602252 /nfs/dbraw/zinc/60/22/52/897602252.db2.gz UACCLVHEOYUORL-STQMWFEESA-N 2 0 296.415 -0.075 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001375763842 897603842 /nfs/dbraw/zinc/60/38/42/897603842.db2.gz NQUSTHIYRMZZEI-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001375896888 897618553 /nfs/dbraw/zinc/61/85/53/897618553.db2.gz NKPJCJYUSIUPFG-SWLSCSKDSA-N 2 0 296.415 -0.358 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001375880237 897618955 /nfs/dbraw/zinc/61/89/55/897618955.db2.gz DMOPYRJFBOVLIE-CQSZACIVSA-N 2 0 284.404 -0.358 20 0 CBADRP CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001375879425 897620003 /nfs/dbraw/zinc/62/00/03/897620003.db2.gz LGZRZLGQQHMIAJ-IUODEOHRSA-N 2 0 298.431 -0.099 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCCN2CC[NH+](CCCO)CC2)C1 ZINC001376104515 897652824 /nfs/dbraw/zinc/65/28/24/897652824.db2.gz NODHYIDVYRRBOO-AWEZNQCLSA-N 2 0 298.431 -0.946 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001376336366 897714656 /nfs/dbraw/zinc/71/46/56/897714656.db2.gz FIRNRASTXXJQSQ-LBPRGKRZSA-N 2 0 294.403 -0.153 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376364249 897719810 /nfs/dbraw/zinc/71/98/10/897719810.db2.gz FDIJKYWRHGXWED-JHJVBQTASA-N 2 0 299.415 -0.285 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nncn2C)C1 ZINC001376398918 897722092 /nfs/dbraw/zinc/72/20/92/897722092.db2.gz HANDUYZSQUNLPK-HAQNSBGRSA-N 2 0 294.403 -0.106 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001376390214 897722528 /nfs/dbraw/zinc/72/25/28/897722528.db2.gz IRKIKFKJGDDFEK-IJLUTSLNSA-N 2 0 284.404 -0.171 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001376388932 897723029 /nfs/dbraw/zinc/72/30/29/897723029.db2.gz MYHNXEOLEFCWGA-JOCQHMNTSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001376406446 897726434 /nfs/dbraw/zinc/72/64/34/897726434.db2.gz ZASGCOHVSSUYJI-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001376418700 897730969 /nfs/dbraw/zinc/73/09/69/897730969.db2.gz RZJUGWOETVIYBM-AVGNSLFASA-N 2 0 296.415 -0.299 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001376470628 897749675 /nfs/dbraw/zinc/74/96/75/897749675.db2.gz SZTSKTRCXFVJMW-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001376556367 897777971 /nfs/dbraw/zinc/77/79/71/897777971.db2.gz BRSNICHFXAGYBA-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001376606912 897783457 /nfs/dbraw/zinc/78/34/57/897783457.db2.gz DZXKCFVKTUBQPJ-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)N1CCC1 ZINC001376727978 897825730 /nfs/dbraw/zinc/82/57/30/897825730.db2.gz DQOOFDWMBXDETO-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001376758494 897834968 /nfs/dbraw/zinc/83/49/68/897834968.db2.gz GAIMJNVIXFKMSQ-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCn1cncn1 ZINC001376802133 897849680 /nfs/dbraw/zinc/84/96/80/897849680.db2.gz OXLCVKIHWBCWDD-STQMWFEESA-N 2 0 294.403 -0.286 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC001376839729 897863981 /nfs/dbraw/zinc/86/39/81/897863981.db2.gz ALWWQMNKUGPRRK-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC001376839733 897864447 /nfs/dbraw/zinc/86/44/47/897864447.db2.gz ALWWQMNKUGPRRK-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP CC[C@@H]([NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001376853903 897871415 /nfs/dbraw/zinc/87/14/15/897871415.db2.gz JKVPNEMTRCBKRR-GHMZBOCLSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001376885404 897880492 /nfs/dbraw/zinc/88/04/92/897880492.db2.gz RXIHGMRYZHWODE-WDEREUQCSA-N 2 0 280.376 -0.639 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001376913602 897892465 /nfs/dbraw/zinc/89/24/65/897892465.db2.gz BNHIORMVQLEVJS-AAEUAGOBSA-N 2 0 296.415 -0.347 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001376940270 897897038 /nfs/dbraw/zinc/89/70/38/897897038.db2.gz MCMSQRJZZQNGME-HZSPNIEDSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+](C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001376964519 897903601 /nfs/dbraw/zinc/90/36/01/897903601.db2.gz YGKXDTDMSWQOJO-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H](C(=O)N(C)CCC[N@H+](C)CC(=O)NC)[NH+](C)C ZINC001377005716 897909375 /nfs/dbraw/zinc/90/93/75/897909375.db2.gz TYKNRIOSLHTZCX-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP CN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)CC(=O)N(C)C ZINC001377129366 897937314 /nfs/dbraw/zinc/93/73/14/897937314.db2.gz KHMVFRZZTJONTF-NSHDSACASA-N 2 0 270.377 -0.783 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001377235202 897980125 /nfs/dbraw/zinc/98/01/25/897980125.db2.gz AHMIECHBSGMKOT-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCCNC1=O ZINC001377291435 897997169 /nfs/dbraw/zinc/99/71/69/897997169.db2.gz ICYKWZQESOUKTN-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H](C(=O)NCC[N@H+](CC)[C@H]1CCNC1=O)[NH+](C)C ZINC001377317905 898009364 /nfs/dbraw/zinc/00/93/64/898009364.db2.gz WHGFCPYWVAITRW-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001377359058 898020549 /nfs/dbraw/zinc/02/05/49/898020549.db2.gz ZPYRCWFHLXLVDH-QWHCGFSZSA-N 2 0 299.415 -0.738 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001377414077 898039462 /nfs/dbraw/zinc/03/94/62/898039462.db2.gz GGXUSQZUXRUPGB-UONOGXRCSA-N 2 0 299.415 -0.330 20 0 CBADRP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001377576252 898092433 /nfs/dbraw/zinc/09/24/33/898092433.db2.gz BIKZWQYGZDNHDT-NSHDSACASA-N 2 0 282.388 -0.735 20 0 CBADRP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001377576249 898092537 /nfs/dbraw/zinc/09/25/37/898092537.db2.gz BIKZWQYGZDNHDT-LLVKDONJSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1)C(N)=O ZINC001377590180 898096590 /nfs/dbraw/zinc/09/65/90/898096590.db2.gz DRFJWFZJNMKJPZ-LBPRGKRZSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001377589107 898098365 /nfs/dbraw/zinc/09/83/65/898098365.db2.gz HOLKWQXSMCLVJQ-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1CN(C)CC(N)=O)[NH+](C)C ZINC001377645053 898107949 /nfs/dbraw/zinc/10/79/49/898107949.db2.gz ZHPXMNBXCPBOQG-OCCSQVGLSA-N 2 0 298.431 -0.019 20 0 CBADRP CC[C@H](C(=O)NC1CC(C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001377735093 898123727 /nfs/dbraw/zinc/12/37/27/898123727.db2.gz HNZJVTQMIWHCKZ-VQXHTEKXSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@H]([NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001377733525 898124158 /nfs/dbraw/zinc/12/41/58/898124158.db2.gz MKDJZLUNFQFCIJ-UNXYVOJBSA-N 2 0 282.388 -0.560 20 0 CBADRP CN(C)C(=O)C[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001377732613 898125661 /nfs/dbraw/zinc/12/56/61/898125661.db2.gz FHXKCXVTHQGOSZ-UHFFFAOYSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]CC(N)=O ZINC001377829664 898142996 /nfs/dbraw/zinc/14/29/96/898142996.db2.gz SAWMIFCUASDLBX-VHSXEESVSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001377829669 898143030 /nfs/dbraw/zinc/14/30/30/898143030.db2.gz SAWMIFCUASDLBX-ZJUUUORDSA-N 2 0 270.377 -0.561 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001377857890 898150474 /nfs/dbraw/zinc/15/04/74/898150474.db2.gz IVHGKFWSTMTVLA-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](CC[NH+](C)C)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001454575476 914230180 /nfs/dbraw/zinc/23/01/80/914230180.db2.gz GDYRTCBTNWHNFA-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@H]1CCNC1=O ZINC001378333585 898314816 /nfs/dbraw/zinc/31/48/16/898314816.db2.gz DLEQXUWLBMDQON-NEPJUHHUSA-N 2 0 284.404 -0.301 20 0 CBADRP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@@H]1CCNC1=O ZINC001378333600 898317596 /nfs/dbraw/zinc/31/75/96/898317596.db2.gz DLEQXUWLBMDQON-VXGBXAGGSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1)C(N)=O ZINC001378383703 898323649 /nfs/dbraw/zinc/32/36/49/898323649.db2.gz SAKXKRRYSPXECB-VXGBXAGGSA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]CC(N)=O)CCCC2)C1 ZINC001378382262 898325865 /nfs/dbraw/zinc/32/58/65/898325865.db2.gz JQXOMMINQDHRFB-NSHDSACASA-N 2 0 282.388 -0.558 20 0 CBADRP CNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001378429183 898329274 /nfs/dbraw/zinc/32/92/74/898329274.db2.gz IBRNEYHISYDTIA-XHDPSFHLSA-N 2 0 296.415 -0.441 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001378569826 898355059 /nfs/dbraw/zinc/35/50/59/898355059.db2.gz LXBUIMCNEJNEQT-OLZOCXBDSA-N 2 0 298.431 -0.066 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001378569847 898355127 /nfs/dbraw/zinc/35/51/27/898355127.db2.gz LXBUIMCNEJNEQT-STQMWFEESA-N 2 0 298.431 -0.066 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001378615525 898370127 /nfs/dbraw/zinc/37/01/27/898370127.db2.gz MTXLHCQJAZRLOH-ZDUSSCGKSA-N 2 0 298.431 -0.194 20 0 CBADRP C[NH+](C)CCC(=O)NC1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001378701523 898394479 /nfs/dbraw/zinc/39/44/79/898394479.db2.gz SBPLMYBOQIRQEP-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP NC(=O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001378733832 898398894 /nfs/dbraw/zinc/39/88/94/898398894.db2.gz VYSXUVJCUUZFMP-UHFFFAOYSA-N 2 0 282.388 -0.414 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001378862020 898428109 /nfs/dbraw/zinc/42/81/09/898428109.db2.gz VKEYQEKQGRLORY-STQMWFEESA-N 2 0 298.431 -0.006 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001378913794 898430106 /nfs/dbraw/zinc/43/01/06/898430106.db2.gz PYPHJZNXRABSHX-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[N@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001378922304 898431034 /nfs/dbraw/zinc/43/10/34/898431034.db2.gz KJJVHQHUXQWEEZ-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C(C)C)[NH+](C)C ZINC001378995820 898441693 /nfs/dbraw/zinc/44/16/93/898441693.db2.gz GEOMSFXNOFEKKK-MNOVXSKESA-N 2 0 272.393 -0.458 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O ZINC001379134322 898474662 /nfs/dbraw/zinc/47/46/62/898474662.db2.gz JFCOEEBOPHQNMQ-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)C(=O)NC ZINC001379285703 898534246 /nfs/dbraw/zinc/53/42/46/898534246.db2.gz QCDYDTMXEQYAID-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP Cc1nocc1C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001379282094 898536068 /nfs/dbraw/zinc/53/60/68/898536068.db2.gz FVOPDDQEIAHCEF-CYBMUJFWSA-N 2 0 296.371 -0.354 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001379291579 898539560 /nfs/dbraw/zinc/53/95/60/898539560.db2.gz XVHQJYYZAYKDOM-AAEUAGOBSA-N 2 0 286.420 -0.245 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001379358258 898571683 /nfs/dbraw/zinc/57/16/83/898571683.db2.gz ASTOZSFTPQAYNE-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001379361847 898577908 /nfs/dbraw/zinc/57/79/08/898577908.db2.gz BNGCMWMNLOCBTK-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCn1cccn1 ZINC001379375612 898587479 /nfs/dbraw/zinc/58/74/79/898587479.db2.gz VPJRAFKHAOTVGX-QWHCGFSZSA-N 2 0 295.387 -0.956 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC1CC1)[NH+](C)C ZINC001379383757 898593521 /nfs/dbraw/zinc/59/35/21/898593521.db2.gz NBFCUQYMMGCGCI-ZYHUDNBSSA-N 2 0 284.404 -0.301 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001379449051 898617565 /nfs/dbraw/zinc/61/75/65/898617565.db2.gz LNUJBZYBABTOCR-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001379465593 898624523 /nfs/dbraw/zinc/62/45/23/898624523.db2.gz KGLOADPUEBIBEC-GFCCVEGCSA-N 2 0 286.420 -0.101 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]Cc1cncs1 ZINC001379470741 898628021 /nfs/dbraw/zinc/62/80/21/898628021.db2.gz SFZKSTIJIONDOF-JTQLQIEISA-N 2 0 286.401 -0.339 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001379489274 898635946 /nfs/dbraw/zinc/63/59/46/898635946.db2.gz FFMDEWYWGAKYEE-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001379517759 898650100 /nfs/dbraw/zinc/65/01/00/898650100.db2.gz WSRAHVMSTWSBAY-RYUDHWBXSA-N 2 0 296.415 -0.204 20 0 CBADRP O=C(CC[NH+]1CCCCC1)NC[C@@H](CO)[NH2+]CCF ZINC001379525371 898654432 /nfs/dbraw/zinc/65/44/32/898654432.db2.gz KXMVVPGFHREFPP-LBPRGKRZSA-N 2 0 275.368 -0.101 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001379518057 898655558 /nfs/dbraw/zinc/65/55/58/898655558.db2.gz YJRBRXCLGAINLB-QWRGUYRKSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001379533362 898660750 /nfs/dbraw/zinc/66/07/50/898660750.db2.gz UQFAVUQURTZTBW-QWRGUYRKSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H]1[C@H]([NH2+]CCn2cncn2)CCN1C(=O)CC[NH+](C)C ZINC001379548019 898666546 /nfs/dbraw/zinc/66/65/46/898666546.db2.gz FEJGQAGBLGLCOA-QWHCGFSZSA-N 2 0 294.403 -0.191 20 0 CBADRP COC[C@@H](O)C[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001379760087 898725772 /nfs/dbraw/zinc/72/57/72/898725772.db2.gz CTPCERIRAKHSGI-OLZOCXBDSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1)C(N)=O ZINC001379893193 898755906 /nfs/dbraw/zinc/75/59/06/898755906.db2.gz LEYJCUZTUKQVFC-ZYHUDNBSSA-N 2 0 296.415 -0.314 20 0 CBADRP CN(C[C@H](O)C[N@H+](C)CCCO)C(=O)C[NH+]1CCCC1 ZINC001379970087 898778108 /nfs/dbraw/zinc/77/81/08/898778108.db2.gz KSPWBHGEUCDYGY-CYBMUJFWSA-N 2 0 287.404 -0.784 20 0 CBADRP CC[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001380070895 898798298 /nfs/dbraw/zinc/79/82/98/898798298.db2.gz YDMVEKCGXMYNIB-QWRGUYRKSA-N 2 0 282.388 -0.417 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001380087502 898805266 /nfs/dbraw/zinc/80/52/66/898805266.db2.gz CYNZJEWZJFGPAU-NEPJUHHUSA-N 2 0 298.431 -0.195 20 0 CBADRP CC[C@@H](C(=O)NCC1([NH2+]CC(=O)NC)CC1)[NH+](C)C ZINC001380132238 898815975 /nfs/dbraw/zinc/81/59/75/898815975.db2.gz CIEXRDIXBIZYAR-JTQLQIEISA-N 2 0 270.377 -0.689 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001380282411 898852987 /nfs/dbraw/zinc/85/29/87/898852987.db2.gz DTRHCOXIYKETCZ-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380350092 898863640 /nfs/dbraw/zinc/86/36/40/898863640.db2.gz CREYYEZIRGNODQ-IUODEOHRSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001380413767 898874452 /nfs/dbraw/zinc/87/44/52/898874452.db2.gz LIDGQCODLNNEKO-AWEZNQCLSA-N 2 0 284.404 -0.488 20 0 CBADRP CC[C@@H](C(=O)NCC1([NH2+]CCO)CCOCC1)[NH+](C)C ZINC001380504521 898878955 /nfs/dbraw/zinc/87/89/55/898878955.db2.gz JKGYBQCXFNMZAZ-LBPRGKRZSA-N 2 0 287.404 -0.426 20 0 CBADRP COC[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001380552931 898897210 /nfs/dbraw/zinc/89/72/10/898897210.db2.gz MBUOCANPHHEXSY-TZMCWYRMSA-N 2 0 287.404 -0.474 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@@H](C)C(N)=O)C[C@@H]2C1 ZINC001380703527 898937987 /nfs/dbraw/zinc/93/79/87/898937987.db2.gz KLFRYECOKXPMIC-RWMBFGLXSA-N 2 0 296.415 -0.408 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001380704307 898938247 /nfs/dbraw/zinc/93/82/47/898938247.db2.gz NCHWYHFAWHSFDB-XQQFMLRXSA-N 2 0 294.399 -0.783 20 0 CBADRP Cn1nncc1C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001380877247 898964721 /nfs/dbraw/zinc/96/47/21/898964721.db2.gz HCQIULHZVHNYOV-UHFFFAOYSA-N 2 0 294.403 -0.105 20 0 CBADRP C[N@H+](CC(=O)N[C@H]1CCC[NH+](CC(N)=O)CC1)C1CCC1 ZINC001380929222 898972394 /nfs/dbraw/zinc/97/23/94/898972394.db2.gz IWCZOKGNDZYCJJ-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001381116300 898998793 /nfs/dbraw/zinc/99/87/93/898998793.db2.gz LSBNJNYSFBLXNV-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001381102910 899000056 /nfs/dbraw/zinc/00/00/56/899000056.db2.gz LLWWUPAGMRGQAJ-NEPJUHHUSA-N 2 0 296.415 -0.489 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]CC(N)=O)CC1 ZINC001381131424 899001726 /nfs/dbraw/zinc/00/17/26/899001726.db2.gz RJBCXPONNWHOTN-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001381159718 899006613 /nfs/dbraw/zinc/00/66/13/899006613.db2.gz KOOITWNRESODNK-GFCCVEGCSA-N 2 0 287.404 -0.738 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001381277583 899023361 /nfs/dbraw/zinc/02/33/61/899023361.db2.gz DUVFWQWJQWHRHI-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](O)C[NH+]1CCC(CO)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001381269738 899023649 /nfs/dbraw/zinc/02/36/49/899023649.db2.gz ZOTNAKDEPIXOEW-CYBMUJFWSA-N 2 0 299.415 -0.594 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001381304482 899026496 /nfs/dbraw/zinc/02/64/96/899026496.db2.gz WTOWAGKJDDJKAL-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H]([NH2+]CC(=O)N(C)C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001381448355 899055373 /nfs/dbraw/zinc/05/53/73/899055373.db2.gz MGOAJANGBQDBBJ-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001381484258 899061268 /nfs/dbraw/zinc/06/12/68/899061268.db2.gz IYOZQOOSAZNDQO-LLVKDONJSA-N 2 0 284.404 -0.502 20 0 CBADRP CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001381932534 899130239 /nfs/dbraw/zinc/13/02/39/899130239.db2.gz VYSYOOVYVWUCCL-XYYAHUGASA-N 2 0 294.399 -0.878 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001381973002 899137177 /nfs/dbraw/zinc/13/71/77/899137177.db2.gz QRGUHURNIOSQAK-JOCQHMNTSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001381961847 899137704 /nfs/dbraw/zinc/13/77/04/899137704.db2.gz POVOEUJWKNDSGJ-FDYHWXHSSA-N 2 0 296.415 -0.443 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001381998109 899140170 /nfs/dbraw/zinc/14/01/70/899140170.db2.gz RNIPVNYCTGKVDN-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP CN(C(=O)C1([NH+](C)C)CCC1)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001382022216 899143250 /nfs/dbraw/zinc/14/32/50/899143250.db2.gz YSQFXECWZUWUAL-LBPRGKRZSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+][C@@H]1CCNC1=O ZINC001382128710 899160790 /nfs/dbraw/zinc/16/07/90/899160790.db2.gz UIKCBJOCFRQMSA-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001382154835 899166642 /nfs/dbraw/zinc/16/66/42/899166642.db2.gz QHQUMRGFWGTHKW-QWHCGFSZSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cccnc1)[NH+](C)C ZINC001382220300 899198406 /nfs/dbraw/zinc/19/84/06/899198406.db2.gz XHPAWSNDTYGXJW-ZIAGYGMSSA-N 2 0 294.399 -0.012 20 0 CBADRP Cn1cncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001382238081 899201387 /nfs/dbraw/zinc/20/13/87/899201387.db2.gz BFJHVWWFWSTWTE-DGCLKSJQSA-N 2 0 295.387 -0.919 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC1CCOCC1 ZINC001382254738 899215106 /nfs/dbraw/zinc/21/51/06/899215106.db2.gz YZHDSNJAJZPSCQ-ZIAGYGMSSA-N 2 0 299.415 -0.426 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001382315100 899248388 /nfs/dbraw/zinc/24/83/88/899248388.db2.gz LOOGPWGZBDVPLK-VXGBXAGGSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@H]1C[C@H]([NH2+]Cc2cnnn2C)CN1C(=O)CC[NH+](C)C ZINC001382319577 899248846 /nfs/dbraw/zinc/24/88/46/899248846.db2.gz TXJWXKSDJSIBCP-RYUDHWBXSA-N 2 0 294.403 -0.154 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001382338854 899252858 /nfs/dbraw/zinc/25/28/58/899252858.db2.gz CFIPANFENLLKPZ-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP Cc1nocc1C[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001382411909 899282352 /nfs/dbraw/zinc/28/23/52/899282352.db2.gz GKORDKZZYSHOPW-CYBMUJFWSA-N 2 0 298.387 -0.156 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001385346303 899564585 /nfs/dbraw/zinc/56/45/85/899564585.db2.gz LEQUTKZLXVTKDB-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001386313117 899652586 /nfs/dbraw/zinc/65/25/86/899652586.db2.gz MFRXZRRGNUJOOB-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001387713700 899818813 /nfs/dbraw/zinc/81/88/13/899818813.db2.gz YFFLBJXPUCXKGA-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@@H](C(=O)NC1CN(C(=O)CC[N@H+](C)CC)C1)[NH+](C)C ZINC001387781469 899829412 /nfs/dbraw/zinc/82/94/12/899829412.db2.gz SSFKGMBFPGXBOH-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP CN(CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)CC[NH+](C)C ZINC001388023087 899861156 /nfs/dbraw/zinc/86/11/56/899861156.db2.gz DRCFYIYJTNWNNN-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)CCNC(=O)CC[NH+](C)C ZINC001388060354 899864368 /nfs/dbraw/zinc/86/43/68/899864368.db2.gz XGPWZUJSUUGYCX-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)CCNC(=O)CC[NH+](C)C ZINC001388060353 899864481 /nfs/dbraw/zinc/86/44/81/899864481.db2.gz XGPWZUJSUUGYCX-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001388697969 899902246 /nfs/dbraw/zinc/90/22/46/899902246.db2.gz KTVQUFVPKNRBDV-GRYCIOLGSA-N 2 0 284.404 -0.443 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001388722111 899905298 /nfs/dbraw/zinc/90/52/98/899905298.db2.gz SDBPEXUVUCAKLA-HAQNSBGRSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@H](C(=O)NC1CN(C(=O)C[NH+](CC)CC)C1)[NH+](C)C ZINC001389268204 899980170 /nfs/dbraw/zinc/98/01/70/899980170.db2.gz NZDQETKYAGFRAE-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@@H](C(=O)NC1CN(C(=O)[C@H](CC)[NH+](C)C)C1)[NH+](C)C ZINC001389315192 899991793 /nfs/dbraw/zinc/99/17/93/899991793.db2.gz TUZOJWXYRYECOS-STQMWFEESA-N 2 0 298.431 -0.006 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCCN2CC[NH+](CCO)CC2)C1 ZINC001389424981 900013758 /nfs/dbraw/zinc/01/37/58/900013758.db2.gz FWHOZPIZDPDAEV-CQSZACIVSA-N 2 0 298.431 -0.946 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001389520554 900035020 /nfs/dbraw/zinc/03/50/20/900035020.db2.gz ZDJULARUIXYVQD-OLZOCXBDSA-N 2 0 285.388 -0.863 20 0 CBADRP C[C@@H]([NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1)C(N)=O ZINC001389609363 900049568 /nfs/dbraw/zinc/04/95/68/900049568.db2.gz PBDRKMAQRMLGQP-PWSUYJOCSA-N 2 0 296.415 -0.171 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001389813159 900078417 /nfs/dbraw/zinc/07/84/17/900078417.db2.gz AKVYMWICLFDMPP-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001389864593 900085262 /nfs/dbraw/zinc/08/52/62/900085262.db2.gz WEXFDXUZHLWAST-BJDJZHNGSA-N 2 0 284.404 -0.317 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001389905925 900089336 /nfs/dbraw/zinc/08/93/36/900089336.db2.gz LCORCVYAQLILSO-IJLUTSLNSA-N 2 0 282.388 -0.548 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001389895939 900089810 /nfs/dbraw/zinc/08/98/10/900089810.db2.gz VRHWZAPQVSRVAL-JHJVBQTASA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001389989174 900101238 /nfs/dbraw/zinc/10/12/38/900101238.db2.gz MRVKHXUDTUELDW-PHIMTYICSA-N 2 0 282.388 -0.689 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001390039567 900108485 /nfs/dbraw/zinc/10/84/85/900108485.db2.gz SKWLSDSOYHGBES-FRRDWIJNSA-N 2 0 296.415 -0.206 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001390411554 900153161 /nfs/dbraw/zinc/15/31/61/900153161.db2.gz XLRFFAFMLJERFG-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001390462739 900166701 /nfs/dbraw/zinc/16/67/01/900166701.db2.gz NHNZOJWRQFPICZ-MNOVXSKESA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC(N)=O ZINC001390478407 900169693 /nfs/dbraw/zinc/16/96/93/900169693.db2.gz IQAQGJWSMJFGQA-SNVBAGLBSA-N 2 0 272.393 -0.456 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)NC(C)(C)C ZINC001390477649 900170711 /nfs/dbraw/zinc/17/07/11/900170711.db2.gz WOVMVRSFCGGATH-LLVKDONJSA-N 2 0 286.420 -0.053 20 0 CBADRP C[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)[NH2+]CC(N)=O ZINC001390501911 900175912 /nfs/dbraw/zinc/17/59/12/900175912.db2.gz BLVWIUVSWZKLSJ-LLVKDONJSA-N 2 0 296.415 -0.312 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001390523545 900183051 /nfs/dbraw/zinc/18/30/51/900183051.db2.gz UPWWSLKZFDLDAW-NEPJUHHUSA-N 2 0 273.377 -0.816 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001390538776 900184126 /nfs/dbraw/zinc/18/41/26/900184126.db2.gz PAFSCUSQJVVIAL-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP COC[C@H](O)C[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001390523548 900184154 /nfs/dbraw/zinc/18/41/54/900184154.db2.gz UPWWSLKZFDLDAW-VXGBXAGGSA-N 2 0 273.377 -0.816 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001390564384 900190217 /nfs/dbraw/zinc/19/02/17/900190217.db2.gz AIIARFTXFLBMNJ-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001390600576 900196185 /nfs/dbraw/zinc/19/61/85/900196185.db2.gz AJESMORUCOFGOQ-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001390601801 900196288 /nfs/dbraw/zinc/19/62/88/900196288.db2.gz CVHMLMKMROBFCJ-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCn1cncn1 ZINC001390646976 900203259 /nfs/dbraw/zinc/20/32/59/900203259.db2.gz OBYGMKVZFCELHH-STQMWFEESA-N 2 0 294.403 -0.143 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001390670920 900205177 /nfs/dbraw/zinc/20/51/77/900205177.db2.gz INILDJMNHXGXKS-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001390670923 900206447 /nfs/dbraw/zinc/20/64/47/900206447.db2.gz INILDJMNHXGXKS-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001390714667 900215335 /nfs/dbraw/zinc/21/53/35/900215335.db2.gz MJPOBFLXOMPQTH-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](C(=O)NC1CC1)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001390859907 900265756 /nfs/dbraw/zinc/26/57/56/900265756.db2.gz IUOWZLCFCQTNOP-NWDGAFQWSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H](C(=O)NC1CC1)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001390859902 900268166 /nfs/dbraw/zinc/26/81/66/900268166.db2.gz IUOWZLCFCQTNOP-NEPJUHHUSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CCn1cncn1 ZINC001391028160 900292892 /nfs/dbraw/zinc/29/28/92/900292892.db2.gz WPMVNHGCNJPPDL-ZDUSSCGKSA-N 2 0 294.403 -0.332 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CCn1cncn1 ZINC001391028158 900293312 /nfs/dbraw/zinc/29/33/12/900293312.db2.gz WPMVNHGCNJPPDL-CYBMUJFWSA-N 2 0 294.403 -0.332 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001391098034 900311133 /nfs/dbraw/zinc/31/11/33/900311133.db2.gz PPJNPAXBIMFKNU-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001391107436 900315484 /nfs/dbraw/zinc/31/54/84/900315484.db2.gz AVGMXPOTEVPCCI-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@H]([NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001391226456 900344239 /nfs/dbraw/zinc/34/42/39/900344239.db2.gz IOTRFVHKRQKVKA-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[C@@H]([NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001391227897 900347623 /nfs/dbraw/zinc/34/76/23/900347623.db2.gz MZUSORPXNUJOPO-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001391353043 900360683 /nfs/dbraw/zinc/36/06/83/900360683.db2.gz HQUNANVRJLHXQE-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)CC(N)=O)C1 ZINC001391358114 900362983 /nfs/dbraw/zinc/36/29/83/900362983.db2.gz XYMLCGIQYDGMSJ-GFCCVEGCSA-N 2 0 284.404 -0.406 20 0 CBADRP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001391624069 900421312 /nfs/dbraw/zinc/42/13/12/900421312.db2.gz RSHRONIICDUANJ-ZDUSSCGKSA-N 2 0 294.403 -0.238 20 0 CBADRP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]C[C@H](O)COC ZINC001391719245 900438929 /nfs/dbraw/zinc/43/89/29/900438929.db2.gz PXHCTYPVZQXGAM-FRRDWIJNSA-N 2 0 287.404 -0.428 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](CC)[NH2+][C@H]1CCNC1=O ZINC001391745569 900444165 /nfs/dbraw/zinc/44/41/65/900444165.db2.gz VWYKTRNVLUTBSA-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](CC)[NH2+][C@@H]1CCNC1=O ZINC001391745572 900444507 /nfs/dbraw/zinc/44/45/07/900444507.db2.gz VWYKTRNVLUTBSA-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H]([NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001391928963 900463226 /nfs/dbraw/zinc/46/32/26/900463226.db2.gz QWZWJRFVOCEBBQ-YPMHNXCESA-N 2 0 298.431 -0.066 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001391913832 900464905 /nfs/dbraw/zinc/46/49/05/900464905.db2.gz CSYGVNRGPRUSLA-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001391966388 900475152 /nfs/dbraw/zinc/47/51/52/900475152.db2.gz OMGFBZWUXUACGR-DOMZBBRYSA-N 2 0 296.415 -0.440 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001392125056 900521392 /nfs/dbraw/zinc/52/13/92/900521392.db2.gz VUGBHLGYUOPSIC-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CN(C)Cc1cc(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)no1 ZINC001456293259 914458501 /nfs/dbraw/zinc/45/85/01/914458501.db2.gz DDYFGVNSKMSFDB-JTQLQIEISA-N 2 0 294.355 -0.061 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001392246087 900537949 /nfs/dbraw/zinc/53/79/49/900537949.db2.gz JRJCPCVEQACIAL-STQMWFEESA-N 2 0 298.431 -0.195 20 0 CBADRP CN(CCN(C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392327750 900562967 /nfs/dbraw/zinc/56/29/67/900562967.db2.gz ULEQGRMERACSPK-VXGBXAGGSA-N 2 0 282.388 -0.783 20 0 CBADRP C[N@H+](CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001392348346 900574922 /nfs/dbraw/zinc/57/49/22/900574922.db2.gz YBCNSXRVXHTVRX-YPMHNXCESA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cccnc2)C1 ZINC001392424844 900614837 /nfs/dbraw/zinc/61/48/37/900614837.db2.gz KLQGLZOTAPBVMH-KBPBESRZSA-N 2 0 292.383 -0.400 20 0 CBADRP C[C@@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001392430870 900614855 /nfs/dbraw/zinc/61/48/55/900614855.db2.gz BGVUDBHZDXUBGW-NWDGAFQWSA-N 2 0 294.399 -0.545 20 0 CBADRP Cc1nocc1C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC001392425844 900615020 /nfs/dbraw/zinc/61/50/20/900615020.db2.gz IXWOANDDQYYZGU-CYBMUJFWSA-N 2 0 298.387 -0.110 20 0 CBADRP C[C@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001392441692 900620365 /nfs/dbraw/zinc/62/03/65/900620365.db2.gz IBGVMNSYLDGYRE-MNOVXSKESA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001392506407 900640118 /nfs/dbraw/zinc/64/01/18/900640118.db2.gz XLZLGKFVXVJOJN-GRYCIOLGSA-N 2 0 284.404 -0.445 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001392504670 900641728 /nfs/dbraw/zinc/64/17/28/900641728.db2.gz MLYZJXHCNHUVAS-KXNHARMFSA-N 2 0 284.404 -0.315 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)NC(=O)C[NH+]1CCC(C)CC1 ZINC001392521963 900643816 /nfs/dbraw/zinc/64/38/16/900643816.db2.gz UZYCUAHPJHGDND-LLVKDONJSA-N 2 0 270.377 -0.702 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001392530207 900648237 /nfs/dbraw/zinc/64/82/37/900648237.db2.gz MZIHUMRPXROCMF-NEPJUHHUSA-N 2 0 273.377 -0.816 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001392564575 900660468 /nfs/dbraw/zinc/66/04/68/900660468.db2.gz ZBTGYTHXDLZLSX-UMSGYPCISA-N 2 0 287.404 -0.572 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001392607438 900672795 /nfs/dbraw/zinc/67/27/95/900672795.db2.gz DVGKYWBRJBWPME-NWDGAFQWSA-N 2 0 294.399 -0.545 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001392605048 900674298 /nfs/dbraw/zinc/67/42/98/900674298.db2.gz ZDXAOSHTCGCEQX-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001392609253 900676814 /nfs/dbraw/zinc/67/68/14/900676814.db2.gz VGYURMWOOUVQQW-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001392608763 900677002 /nfs/dbraw/zinc/67/70/02/900677002.db2.gz SLFVDXLRFBLTEO-NWDGAFQWSA-N 2 0 294.399 -0.593 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001392616519 900678693 /nfs/dbraw/zinc/67/86/93/900678693.db2.gz HEOCXVIPSOAVRT-NWDGAFQWSA-N 2 0 284.404 -0.348 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392821879 900733027 /nfs/dbraw/zinc/73/30/27/900733027.db2.gz AKBVWIKCROBLEQ-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP COC[C@@H](O)C[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001392913266 900759798 /nfs/dbraw/zinc/75/97/98/900759798.db2.gz UQXPMHJJHKBMPA-LBPRGKRZSA-N 2 0 299.415 -0.284 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1)C(N)=O ZINC001392963066 900768258 /nfs/dbraw/zinc/76/82/58/900768258.db2.gz HKSXPGJEEZUUDE-GFCCVEGCSA-N 2 0 296.415 -0.025 20 0 CBADRP CCCNC(=O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001392957099 900769095 /nfs/dbraw/zinc/76/90/95/900769095.db2.gz QIUUTAKGNHWWBC-UHFFFAOYSA-N 2 0 296.415 -0.153 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001392992179 900771509 /nfs/dbraw/zinc/77/15/09/900771509.db2.gz OYTAIRCPCDEFJV-WFASDCNBSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001393164067 900799702 /nfs/dbraw/zinc/79/97/02/900799702.db2.gz PODCRVLOTVXHJJ-IUODEOHRSA-N 2 0 296.415 -0.358 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001393388738 900852798 /nfs/dbraw/zinc/85/27/98/900852798.db2.gz QAEDXMMYOZHSOV-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP COC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001393596078 900882435 /nfs/dbraw/zinc/88/24/35/900882435.db2.gz VRYWXVOJKDFNMU-CHWSQXEVSA-N 2 0 287.404 -0.210 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001393644797 900885834 /nfs/dbraw/zinc/88/58/34/900885834.db2.gz QBTDTMMXRJXRMF-CHWSQXEVSA-N 2 0 298.431 -0.018 20 0 CBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001393743639 900898483 /nfs/dbraw/zinc/89/84/83/900898483.db2.gz GGYXEPYYULDOIT-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CC(N)=O)CC2)CC1 ZINC001393736577 900898490 /nfs/dbraw/zinc/89/84/90/900898490.db2.gz QFKHMJACAMMQKW-UHFFFAOYSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1[NH2+]CC(N)=O ZINC001393747036 900903338 /nfs/dbraw/zinc/90/33/38/900903338.db2.gz VYWMPIXNNIZNDN-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001393798663 900910464 /nfs/dbraw/zinc/91/04/64/900910464.db2.gz UUEUGJZLPJVGIY-WCQYABFASA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@@H]1CCCNC1=O ZINC001393815367 900912994 /nfs/dbraw/zinc/91/29/94/900912994.db2.gz NWDDBQAHEWKYKI-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC(N)=O ZINC001393829460 900913096 /nfs/dbraw/zinc/91/30/96/900913096.db2.gz COMJJKMPPBNISA-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP CN(CC(N)=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001393884516 900922529 /nfs/dbraw/zinc/92/25/29/900922529.db2.gz RKNNXSUSQKACTK-STQMWFEESA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001393888786 900926137 /nfs/dbraw/zinc/92/61/37/900926137.db2.gz BUELYJZOUCVYIM-HBIQZDMRSA-N 2 0 282.388 -0.704 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001394004971 900947066 /nfs/dbraw/zinc/94/70/66/900947066.db2.gz URYHNPJPNTXNTF-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP CNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001394023643 900952173 /nfs/dbraw/zinc/95/21/73/900952173.db2.gz BINXTGUQPKPQIW-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC001394370763 901019789 /nfs/dbraw/zinc/01/97/89/901019789.db2.gz AABFXNVGOCCRHD-IJLUTSLNSA-N 2 0 296.415 -0.171 20 0 CBADRP C[N@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001394375174 901020400 /nfs/dbraw/zinc/02/04/00/901020400.db2.gz JHVIJYNXSHRSCE-HAQNSBGRSA-N 2 0 298.431 -0.066 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001394381206 901022978 /nfs/dbraw/zinc/02/29/78/901022978.db2.gz MINPXEJWZNVFGD-AAVRWANBSA-N 2 0 299.415 -0.570 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001394496399 901038541 /nfs/dbraw/zinc/03/85/41/901038541.db2.gz PUOHKWQXXNKYJS-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001394517513 901044305 /nfs/dbraw/zinc/04/43/05/901044305.db2.gz IEQYTXGXIRMWHX-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)[NH2+]CC(N)=O ZINC001394533393 901046648 /nfs/dbraw/zinc/04/66/48/901046648.db2.gz HFPGWIWDHTUOMS-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccnn1C)[NH+](C)C ZINC001394622136 901093211 /nfs/dbraw/zinc/09/32/11/901093211.db2.gz SSDVUYYZJXMZPZ-DGCLKSJQSA-N 2 0 297.403 -0.673 20 0 CBADRP C[C@H](O)C[NH2+][C@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001394622938 901097398 /nfs/dbraw/zinc/09/73/98/901097398.db2.gz YXDPJSMCCSXBFR-RYUDHWBXSA-N 2 0 287.404 -0.692 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC)C[C@H]1C ZINC001394667384 901116103 /nfs/dbraw/zinc/11/61/03/901116103.db2.gz IWTSBNLKEDZAPF-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001394681967 901120500 /nfs/dbraw/zinc/12/05/00/901120500.db2.gz UYAWHBDJSZNGAG-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001394852336 901165468 /nfs/dbraw/zinc/16/54/68/901165468.db2.gz IXOCASZPCWMWMG-BPCQOVAHSA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001394852581 901166222 /nfs/dbraw/zinc/16/62/22/901166222.db2.gz WEVOXPGLHDHXQY-MCIGGMRASA-N 2 0 282.388 -0.594 20 0 CBADRP CNC(=O)C[NH2+]C1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001394859901 901166686 /nfs/dbraw/zinc/16/66/86/901166686.db2.gz RFQFZUZXCGHKAU-UHFFFAOYSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCO ZINC001397024230 901355301 /nfs/dbraw/zinc/35/53/01/901355301.db2.gz BWGZQGOJQBSCID-KGLIPLIRSA-N 2 0 299.415 -0.520 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCn1cncn1 ZINC001397252278 901379978 /nfs/dbraw/zinc/37/99/78/901379978.db2.gz PRINBGRDTKBDAQ-OLZOCXBDSA-N 2 0 294.403 -0.191 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001397444045 901412566 /nfs/dbraw/zinc/41/25/66/901412566.db2.gz KJJZLCBAYMPXPI-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001397558167 901430781 /nfs/dbraw/zinc/43/07/81/901430781.db2.gz CIBDJKWTOJHQAR-TUAOUCFPSA-N 2 0 282.388 -0.689 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC001397597017 901437742 /nfs/dbraw/zinc/43/77/42/901437742.db2.gz XYBCTLYTAVXSKJ-WISYIIOYSA-N 2 0 284.404 -0.315 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001397612478 901439196 /nfs/dbraw/zinc/43/91/96/901439196.db2.gz JESSDQRTCMDHMI-BETUJISGSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001398366183 901530581 /nfs/dbraw/zinc/53/05/81/901530581.db2.gz QLCLHQQVZLJOFG-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001398389265 901535101 /nfs/dbraw/zinc/53/51/01/901535101.db2.gz AIFFKRGSMOLIJB-STQMWFEESA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)(C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1)[NH+]1CCCC1 ZINC001398436522 901537541 /nfs/dbraw/zinc/53/75/41/901537541.db2.gz IJCJHJMFZVGJJS-LBPRGKRZSA-N 2 0 296.415 -0.170 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001398454828 901540947 /nfs/dbraw/zinc/54/09/47/901540947.db2.gz QDXBYJKVXRMNCA-LBPRGKRZSA-N 2 0 282.388 -0.687 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@@H](O)COC)C1)[NH+](C)C ZINC001398498847 901547868 /nfs/dbraw/zinc/54/78/68/901547868.db2.gz CEERSULUDJUWBI-YNEHKIRRSA-N 2 0 287.404 -0.476 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001398605547 901573853 /nfs/dbraw/zinc/57/38/53/901573853.db2.gz PKTBXNICPGEMSM-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)C1(C(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)CCC1 ZINC001398754621 901600698 /nfs/dbraw/zinc/60/06/98/901600698.db2.gz ANDCEYRLMUJOKS-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]21)[NH+](C)C ZINC001398804652 901605394 /nfs/dbraw/zinc/60/53/94/901605394.db2.gz OXIUTFODDHZASX-KIJLLGNVSA-N 2 0 296.415 -0.493 20 0 CBADRP C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)[NH2+]CCO ZINC001398918963 901631950 /nfs/dbraw/zinc/63/19/50/901631950.db2.gz JLFSMHATXYYEIY-LLVKDONJSA-N 2 0 283.376 -0.855 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001398947138 901637482 /nfs/dbraw/zinc/63/74/82/901637482.db2.gz OHEZHRAKZXUNKK-PWSUYJOCSA-N 2 0 272.393 -0.587 20 0 CBADRP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+][C@H](C)C(N)=O ZINC001398961990 901642870 /nfs/dbraw/zinc/64/28/70/901642870.db2.gz BQGOIWYQEGXXDQ-VXGBXAGGSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@H]1CCN(C)C1=O ZINC001399035969 901655352 /nfs/dbraw/zinc/65/53/52/901655352.db2.gz OOQUYBFSSDGLDI-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001399051178 901658409 /nfs/dbraw/zinc/65/84/09/901658409.db2.gz YWTJKMRFCXGVHG-YPMHNXCESA-N 2 0 287.404 -0.570 20 0 CBADRP Cn1ncc(C[NH2+]C[C@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001399251085 901687934 /nfs/dbraw/zinc/68/79/34/901687934.db2.gz YTLOPJHNPWPKJA-GFCCVEGCSA-N 2 0 294.403 -0.295 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001399286753 901692180 /nfs/dbraw/zinc/69/21/80/901692180.db2.gz ISAOCJXEDDMIHL-NEPJUHHUSA-N 2 0 284.404 -0.265 20 0 CBADRP C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC(N)=O ZINC001399402274 901713198 /nfs/dbraw/zinc/71/31/98/901713198.db2.gz XIHQMODEBGYHKX-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC(N)=O ZINC001399402268 901713343 /nfs/dbraw/zinc/71/33/43/901713343.db2.gz XIHQMODEBGYHKX-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](CCNC(=O)[C@H](C)C[NH+]1CCOCC1)[NH2+]CCO ZINC001399431091 901715351 /nfs/dbraw/zinc/71/53/51/901715351.db2.gz UDEOUNJTNWNFSY-CHWSQXEVSA-N 2 0 287.404 -0.569 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001399936928 901839123 /nfs/dbraw/zinc/83/91/23/901839123.db2.gz YKBNHGPQHFVPOE-NWDGAFQWSA-N 2 0 296.415 -0.360 20 0 CBADRP CN1CC[C@@H]([N@@H+]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001399938503 901839737 /nfs/dbraw/zinc/83/97/37/901839737.db2.gz ZVMFWMGPDCAEID-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001399932660 901839829 /nfs/dbraw/zinc/83/98/29/901839829.db2.gz UOCOJSMMZXJFKD-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP CN1CC[C@H]([N@@H+]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001399938506 901839930 /nfs/dbraw/zinc/83/99/30/901839930.db2.gz ZVMFWMGPDCAEID-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[C@H]([NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C(N)=O ZINC001400040787 901858366 /nfs/dbraw/zinc/85/83/66/901858366.db2.gz OUESALRCTOPYIP-NWDGAFQWSA-N 2 0 286.420 -0.116 20 0 CBADRP CC[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCCNC1=O)[NH+](C)C ZINC001400064420 901869406 /nfs/dbraw/zinc/86/94/06/901869406.db2.gz BXOYWAHXEJGMDE-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001400063059 901870228 /nfs/dbraw/zinc/87/02/28/901870228.db2.gz YEXFPYOLYJOFAM-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001400104759 901876888 /nfs/dbraw/zinc/87/68/88/901876888.db2.gz KEDZMOPKSGQABX-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[N@H+](CC(=O)NCC[C@@H]1CC[NH+](CC(N)=O)C1)C1CCC1 ZINC001400148095 901885371 /nfs/dbraw/zinc/88/53/71/901885371.db2.gz MZOUTHHDAOQTGN-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[C@@H]([NH2+][C@@H](CC)CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001400928715 902035782 /nfs/dbraw/zinc/03/57/82/902035782.db2.gz PIGKPWUNADAXQZ-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001401117691 902056792 /nfs/dbraw/zinc/05/67/92/902056792.db2.gz WRLRDSJEIYQKCI-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1cnnn1C ZINC001401121863 902057685 /nfs/dbraw/zinc/05/76/85/902057685.db2.gz GQDOWGFIZDMAGL-DGCLKSJQSA-N 2 0 294.403 -0.249 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001401120946 902058664 /nfs/dbraw/zinc/05/86/64/902058664.db2.gz CSYGVNRGPRUSLA-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H]1CCCNC1=O ZINC001401128178 902060871 /nfs/dbraw/zinc/06/08/71/902060871.db2.gz OPEYTBUUZORKMP-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]CC(N)=O ZINC001401131823 902062125 /nfs/dbraw/zinc/06/21/25/902062125.db2.gz IDSZVWSIMHVGRY-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001401245525 902090680 /nfs/dbraw/zinc/09/06/80/902090680.db2.gz PYTGKICRCZVNBT-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001401265027 902094213 /nfs/dbraw/zinc/09/42/13/902094213.db2.gz YDQMNMPQDMEENQ-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001401262284 902097418 /nfs/dbraw/zinc/09/74/18/902097418.db2.gz PSEDPLLPQIBUQJ-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1[NH2+]CC(N)=O ZINC001401298889 902099957 /nfs/dbraw/zinc/09/99/57/902099957.db2.gz PAWBMVJJUSKPAP-NWDGAFQWSA-N 2 0 296.415 -0.360 20 0 CBADRP COC[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001401435015 902124051 /nfs/dbraw/zinc/12/40/51/902124051.db2.gz GWVPDMWVOQMRNS-QWHCGFSZSA-N 2 0 287.404 -0.664 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001401435021 902125102 /nfs/dbraw/zinc/12/51/02/902125102.db2.gz GWVPDMWVOQMRNS-STQMWFEESA-N 2 0 287.404 -0.664 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001401485746 902130408 /nfs/dbraw/zinc/13/04/08/902130408.db2.gz JLUJTJOXZYSWMM-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP Cc1ncccc1C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001401548031 902162119 /nfs/dbraw/zinc/16/21/19/902162119.db2.gz CWRGTZRIKRTQCU-CQSZACIVSA-N 2 0 294.399 -0.092 20 0 CBADRP Cn1nccc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001401570593 902173278 /nfs/dbraw/zinc/17/32/78/902173278.db2.gz ZKYRBNKNYHBIIP-QWHCGFSZSA-N 2 0 295.387 -0.919 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CC[NH2+][C@H]1CCNC1=O ZINC001401601872 902181532 /nfs/dbraw/zinc/18/15/32/902181532.db2.gz FGDMLEFLXRLQBU-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001401632241 902199718 /nfs/dbraw/zinc/19/97/18/902199718.db2.gz DPQKWTTWYDBUSY-GMTAPVOTSA-N 2 0 270.377 -0.691 20 0 CBADRP CCn1nncc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001401642050 902202873 /nfs/dbraw/zinc/20/28/73/902202873.db2.gz ZVBXLLAVQZGODW-DGCLKSJQSA-N 2 0 294.403 -0.014 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001401679724 902226690 /nfs/dbraw/zinc/22/66/90/902226690.db2.gz GFAVTOSZJWQNGL-YNEHKIRRSA-N 2 0 298.431 -0.055 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001401698260 902236380 /nfs/dbraw/zinc/23/63/80/902236380.db2.gz BOCLLNRCQALULN-VHSXEESVSA-N 2 0 270.377 -0.704 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001401716157 902244893 /nfs/dbraw/zinc/24/48/93/902244893.db2.gz FCBNNAFNFYSYRV-JSGCOSHPSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)C[NH+]1CCCC1 ZINC001401721252 902245295 /nfs/dbraw/zinc/24/52/95/902245295.db2.gz LOPWEBFLOCGGFU-NSHDSACASA-N 2 0 280.376 -0.495 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001401877501 902296559 /nfs/dbraw/zinc/29/65/59/902296559.db2.gz SFZNQVQHSOFYTH-ZYHUDNBSSA-N 2 0 284.404 -0.443 20 0 CBADRP CN1CC[C@H]([NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)C1=O ZINC001401959770 902321482 /nfs/dbraw/zinc/32/14/82/902321482.db2.gz DSRWFAVBJDVARI-NSHDSACASA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1)C(N)=O ZINC001401948112 902322050 /nfs/dbraw/zinc/32/20/50/902322050.db2.gz AYORAVIEMZMKJG-NSHDSACASA-N 2 0 294.399 -0.273 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001401948244 902324411 /nfs/dbraw/zinc/32/44/11/902324411.db2.gz RZLOTXBMZFCFTK-LLVKDONJSA-N 2 0 282.388 -0.416 20 0 CBADRP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001401972051 902325275 /nfs/dbraw/zinc/32/52/75/902325275.db2.gz LRNSWEZUKPWVKR-NWDGAFQWSA-N 2 0 285.388 -0.674 20 0 CBADRP C[NH+]1CCC(OCC(=O)NCC2([NH2+]CCO)CC2)CC1 ZINC001401973528 902327525 /nfs/dbraw/zinc/32/75/25/902327525.db2.gz LKADOQSYLNGYKC-UHFFFAOYSA-N 2 0 285.388 -0.672 20 0 CBADRP CCNC(=O)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001401979551 902333112 /nfs/dbraw/zinc/33/31/12/902333112.db2.gz QOTOZMWSKJVNDY-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001402064421 902345946 /nfs/dbraw/zinc/34/59/46/902345946.db2.gz XUZKBTGXRJDEIA-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1)C(N)=O ZINC001402078519 902352799 /nfs/dbraw/zinc/35/27/99/902352799.db2.gz MWWPBRMMQAPNOO-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP CC(C)[C@H](C(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001402195067 902378809 /nfs/dbraw/zinc/37/88/09/902378809.db2.gz JXDNWARCZOXLMS-UKRRQHHQSA-N 2 0 298.431 -0.114 20 0 CBADRP CO[C@H](C)C[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001402258303 902395211 /nfs/dbraw/zinc/39/52/11/902395211.db2.gz BLOILUWEMIAQOI-TZMCWYRMSA-N 2 0 287.404 -0.474 20 0 CBADRP COCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001402297886 902414954 /nfs/dbraw/zinc/41/49/54/902414954.db2.gz YBHXIOQCGKHMQC-OCCSQVGLSA-N 2 0 285.388 -0.720 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001402314239 902421822 /nfs/dbraw/zinc/42/18/22/902421822.db2.gz LQWPWMFQUDFWAW-STQMWFEESA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001402314226 902422706 /nfs/dbraw/zinc/42/27/06/902422706.db2.gz LQWPWMFQUDFWAW-OLZOCXBDSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001402423775 902446066 /nfs/dbraw/zinc/44/60/66/902446066.db2.gz ZFTPFQPUGAVQAZ-NEPJUHHUSA-N 2 0 282.388 -0.748 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001402508064 902469020 /nfs/dbraw/zinc/46/90/20/902469020.db2.gz MWZSJSQDSKLBCT-SRVKXCTJSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(=O)N(C)C ZINC001402555551 902477550 /nfs/dbraw/zinc/47/75/50/902477550.db2.gz ZHMVXDSUQRGLBT-FDYHWXHSSA-N 2 0 296.415 -0.348 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001402605749 902490980 /nfs/dbraw/zinc/49/09/80/902490980.db2.gz LIFGBAARVDOOHS-UTUOFQBUSA-N 2 0 282.388 -0.689 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)[C@H](C)C(N)=O ZINC001402682488 902503167 /nfs/dbraw/zinc/50/31/67/902503167.db2.gz RJDKLMSDMQJBPW-GFCCVEGCSA-N 2 0 286.420 -0.019 20 0 CBADRP C[C@@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001402727775 902508698 /nfs/dbraw/zinc/50/86/98/902508698.db2.gz VEQZBYRKIFTNHC-OCCSQVGLSA-N 2 0 287.404 -0.738 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001402725339 902509290 /nfs/dbraw/zinc/50/92/90/902509290.db2.gz RTEIRTOMIKKZSD-DZGCQCFKSA-N 2 0 299.415 -0.594 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001402713817 902509780 /nfs/dbraw/zinc/50/97/80/902509780.db2.gz HSBMRIVTWCZGSQ-NWDGAFQWSA-N 2 0 282.388 -0.748 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001402775682 902518723 /nfs/dbraw/zinc/51/87/23/902518723.db2.gz AYHUMBZNNKEOTE-WDEREUQCSA-N 2 0 270.377 -0.750 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(N)=O)C1 ZINC001402775677 902520003 /nfs/dbraw/zinc/52/00/03/902520003.db2.gz AYHUMBZNNKEOTE-MNOVXSKESA-N 2 0 270.377 -0.750 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001402801701 902522118 /nfs/dbraw/zinc/52/21/18/902522118.db2.gz ZQDYHZJDESTXCC-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP CNC(=O)C[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001402810908 902524834 /nfs/dbraw/zinc/52/48/34/902524834.db2.gz FTXARVICRSZMDV-WXRRBKDZSA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)C(N)=O)[NH+](C)C ZINC001402822154 902529611 /nfs/dbraw/zinc/52/96/11/902529611.db2.gz KFYZGHGYCGLDGD-TUAOUCFPSA-N 2 0 286.420 -0.069 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)N(C)C ZINC001402982373 902583742 /nfs/dbraw/zinc/58/37/42/902583742.db2.gz OQADUJQUXCEMJQ-LLVKDONJSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403029755 902596114 /nfs/dbraw/zinc/59/61/14/902596114.db2.gz BUGMNQVRBACPCR-UWVGGRQHSA-N 2 0 298.391 -0.957 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001403107120 902617427 /nfs/dbraw/zinc/61/74/27/902617427.db2.gz RXUIPCMPECKQNZ-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001403223136 902654358 /nfs/dbraw/zinc/65/43/58/902654358.db2.gz AYHFHZUDAMELRU-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001403223142 902654821 /nfs/dbraw/zinc/65/48/21/902654821.db2.gz AYHFHZUDAMELRU-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001403241075 902658618 /nfs/dbraw/zinc/65/86/18/902658618.db2.gz CEJCEUFXYFSPIT-QWHCGFSZSA-N 2 0 281.400 -0.099 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001403270992 902663203 /nfs/dbraw/zinc/66/32/03/902663203.db2.gz FKIKNZWWYJVFSI-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001403404528 902685180 /nfs/dbraw/zinc/68/51/80/902685180.db2.gz FKOFIUSRGWJTCS-FRRDWIJNSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+][C@H]1CCNC1=O ZINC001403435469 902688642 /nfs/dbraw/zinc/68/86/42/902688642.db2.gz SAQLYPXQIQSEDR-AAEUAGOBSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001403437757 902689311 /nfs/dbraw/zinc/68/93/11/902689311.db2.gz LELYFJOSAWNGRB-XYPYZODXSA-N 2 0 270.377 -0.832 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001403433091 902689937 /nfs/dbraw/zinc/68/99/37/902689937.db2.gz NNENDIUEIHJMOA-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001403466592 902696780 /nfs/dbraw/zinc/69/67/80/902696780.db2.gz JWAAFJPACUSAPM-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001403510015 902707696 /nfs/dbraw/zinc/70/76/96/902707696.db2.gz KOIYSZYNCPBXNF-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnnn1C ZINC001403532538 902714964 /nfs/dbraw/zinc/71/49/64/902714964.db2.gz URXBBJWIDPNTRE-DGCLKSJQSA-N 2 0 294.403 -0.154 20 0 CBADRP CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001403543669 902724587 /nfs/dbraw/zinc/72/45/87/902724587.db2.gz YUFFWPCWEDWEPB-RYUDHWBXSA-N 2 0 284.404 -0.362 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001403545957 902724757 /nfs/dbraw/zinc/72/47/57/902724757.db2.gz JZRDZSOTGQEUGA-ZDUSSCGKSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@@H](CN(C)C(=O)c1ccn(CC[NH+](C)C)n1)[NH2+]CCO ZINC001403547693 902725894 /nfs/dbraw/zinc/72/58/94/902725894.db2.gz FPBAMVJJRFIKGN-LBPRGKRZSA-N 2 0 297.403 -0.513 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@H](CO)[NH2+]C[C@@H]2CCOC2)CC1 ZINC001403708455 902816176 /nfs/dbraw/zinc/81/61/76/902816176.db2.gz NNDJPVUCDVDVHP-QWHCGFSZSA-N 2 0 299.415 -0.569 20 0 CBADRP O=C(NC[C@H](CO)[NH2+]CCO)C1CC[NH+](CC2CC2)CC1 ZINC001403730890 902827034 /nfs/dbraw/zinc/82/70/34/902827034.db2.gz QWBXGRBNHMBEMB-CQSZACIVSA-N 2 0 299.415 -0.833 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001403740392 902831834 /nfs/dbraw/zinc/83/18/34/902831834.db2.gz WFTUPYFHTNMFKK-OLZOCXBDSA-N 2 0 287.404 -0.617 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CCn2cncn2)CN1C(=O)CC[NH+](C)C ZINC001403750218 902838154 /nfs/dbraw/zinc/83/81/54/902838154.db2.gz RFXARUUKAAGDBK-CHWSQXEVSA-N 2 0 294.403 -0.191 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001403750451 902838616 /nfs/dbraw/zinc/83/86/16/902838616.db2.gz RQGSBCZFEFWKTQ-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001403764772 902844818 /nfs/dbraw/zinc/84/48/18/902844818.db2.gz YOPNCCOJMUAPIV-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH+](C)CC1(C(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)CC1 ZINC001403805521 902854650 /nfs/dbraw/zinc/85/46/50/902854650.db2.gz LKGFZNSWLQQHEI-LLVKDONJSA-N 2 0 296.415 -0.360 20 0 CBADRP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001403898508 902896813 /nfs/dbraw/zinc/89/68/13/902896813.db2.gz OUZKNERELGLVHB-LBPRGKRZSA-N 2 0 287.404 -0.786 20 0 CBADRP CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H](C)C(=O)NC ZINC001403940796 902910698 /nfs/dbraw/zinc/91/06/98/902910698.db2.gz QHOSCEJZBJOIHV-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCN1[C@H]1CCNC1=O ZINC001404020405 902925820 /nfs/dbraw/zinc/92/58/20/902925820.db2.gz LHWICDWQMQGQEU-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)CN1CCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001404019214 902926754 /nfs/dbraw/zinc/92/67/54/902926754.db2.gz GKDVFFXHJNLRLS-GFCCVEGCSA-N 2 0 284.404 -0.347 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001404098297 902937516 /nfs/dbraw/zinc/93/75/16/902937516.db2.gz ZPVIOOOCCKCUGC-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001404169290 902952617 /nfs/dbraw/zinc/95/26/17/902952617.db2.gz DMSQASDAOMICQS-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001404309888 902970976 /nfs/dbraw/zinc/97/09/76/902970976.db2.gz FETCZTSXOBCZKQ-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001404329534 902973564 /nfs/dbraw/zinc/97/35/64/902973564.db2.gz TXFHHKKLIPJCEZ-TUAOUCFPSA-N 2 0 284.404 -0.362 20 0 CBADRP CC[C@H]([NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C)C(N)=O ZINC001404338682 902977638 /nfs/dbraw/zinc/97/76/38/902977638.db2.gz ZVARSZHCITYXKT-NSHDSACASA-N 2 0 272.393 -0.362 20 0 CBADRP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H](C)C(N)=O ZINC001405379700 903159668 /nfs/dbraw/zinc/15/96/68/903159668.db2.gz OJHBVIBQSIKEFE-WDEREUQCSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H](C)C(N)=O ZINC001405379695 903160830 /nfs/dbraw/zinc/16/08/30/903160830.db2.gz OJHBVIBQSIKEFE-QWRGUYRKSA-N 2 0 284.404 -0.171 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001405625935 903190564 /nfs/dbraw/zinc/19/05/64/903190564.db2.gz HQTXIINDMOJRGS-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001405689299 903201643 /nfs/dbraw/zinc/20/16/43/903201643.db2.gz HKGMGEHIZORFDV-LLVKDONJSA-N 2 0 284.404 -0.584 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+](C)C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001405689180 903202737 /nfs/dbraw/zinc/20/27/37/903202737.db2.gz GNOCOEGCZLYPSM-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001405711153 903209625 /nfs/dbraw/zinc/20/96/25/903209625.db2.gz AFKAQXCEGZLVPZ-QWRGUYRKSA-N 2 0 272.393 -0.458 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001405717564 903210213 /nfs/dbraw/zinc/21/02/13/903210213.db2.gz LFGBILWEXPMIAZ-NEPJUHHUSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1cnn(C)n1 ZINC001405739962 903212284 /nfs/dbraw/zinc/21/22/84/903212284.db2.gz HFGACQLFGCJLOB-WCQYABFASA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1)C(N)=O ZINC001405777497 903216456 /nfs/dbraw/zinc/21/64/56/903216456.db2.gz WXKQLLFZWJYTQF-LBPRGKRZSA-N 2 0 296.415 -0.025 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001405798060 903219448 /nfs/dbraw/zinc/21/94/48/903219448.db2.gz RTJFJUCQAYYUDH-RYUDHWBXSA-N 2 0 284.404 -0.395 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001405871389 903239976 /nfs/dbraw/zinc/23/99/76/903239976.db2.gz ZBFDFZYXXXGCIU-XQQFMLRXSA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001405928118 903249724 /nfs/dbraw/zinc/24/97/24/903249724.db2.gz MCSBCYVUUSPWOM-JHJVBQTASA-N 2 0 298.431 -0.068 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccnn1C)[NH+](C)C ZINC001406257938 903331695 /nfs/dbraw/zinc/33/16/95/903331695.db2.gz HELRFKNQBQZIHO-STQMWFEESA-N 2 0 297.403 -0.673 20 0 CBADRP CC(C)[NH2+]C[C@H](O)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001406272506 903337658 /nfs/dbraw/zinc/33/76/58/903337658.db2.gz BEUJFPQGFCQQEW-ZDUSSCGKSA-N 2 0 297.403 -0.467 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001406274815 903338333 /nfs/dbraw/zinc/33/83/33/903338333.db2.gz WQBPKCDTOIJKFC-DGCLKSJQSA-N 2 0 287.404 -0.834 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001406321449 903353437 /nfs/dbraw/zinc/35/34/37/903353437.db2.gz DXGYYYPRFBCQLQ-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001406361706 903373237 /nfs/dbraw/zinc/37/32/37/903373237.db2.gz FCBNNAFNFYSYRV-OCCSQVGLSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](CNCc1cnn(C)n1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001406382356 903381511 /nfs/dbraw/zinc/38/15/11/903381511.db2.gz POZPLWCPOFIPAP-DGCLKSJQSA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CCC[NH+]1CCCC1 ZINC001406430534 903399621 /nfs/dbraw/zinc/39/96/21/903399621.db2.gz MMGIYVWRMWTIII-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001406518223 903421609 /nfs/dbraw/zinc/42/16/09/903421609.db2.gz GBTKXUCTUJKFON-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001406520614 903422267 /nfs/dbraw/zinc/42/22/67/903422267.db2.gz QZTMASQDSUNPPA-SRVKXCTJSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@H](C[N@H+](C)CCN1CCCC1=O)NC(=O)CC[NH+](C)C ZINC001406648705 903456741 /nfs/dbraw/zinc/45/67/41/903456741.db2.gz ANZINGKBNHFOFL-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001406704710 903464824 /nfs/dbraw/zinc/46/48/24/903464824.db2.gz XYUXBDLXKYRZIY-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001406871992 903497760 /nfs/dbraw/zinc/49/77/60/903497760.db2.gz GLQGENVJHLPROB-CHWSQXEVSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[C@H](C(=O)NCC1([NH2+]CC(=O)N2CCC2)CC1)[NH+](C)C ZINC001406941082 903512909 /nfs/dbraw/zinc/51/29/09/903512909.db2.gz WDVKXDYGKDDSQV-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CCNC(=O)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001406962834 903516582 /nfs/dbraw/zinc/51/65/82/903516582.db2.gz YYCMRYGUBIYDTC-UHFFFAOYSA-N 2 0 270.377 -0.687 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001407007088 903523899 /nfs/dbraw/zinc/52/38/99/903523899.db2.gz YEUWVDVVSYZKMA-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001406987450 903524251 /nfs/dbraw/zinc/52/42/51/903524251.db2.gz UZOQXNOOAKWDJN-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001407006672 903526784 /nfs/dbraw/zinc/52/67/84/903526784.db2.gz MGJKMHMAZZBOBR-NSHDSACASA-N 2 0 282.388 -0.416 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001407369869 903583859 /nfs/dbraw/zinc/58/38/59/903583859.db2.gz SOKJFGVKNHSBEF-DOMZBBRYSA-N 2 0 299.415 -0.738 20 0 CBADRP C[NH+](C)CCC(=O)NCC1([NH2+][C@H]2CCNC2=O)CCCC1 ZINC001407469278 903613226 /nfs/dbraw/zinc/61/32/26/903613226.db2.gz JFWXCVBJXRFKFR-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[C@H](C(=O)N[C@@]1(CO)CCC[N@H+](CCO)C1)[NH+](C)C ZINC001407631753 903639053 /nfs/dbraw/zinc/63/90/53/903639053.db2.gz RXMZAMJMSDXZMG-OCCSQVGLSA-N 2 0 287.404 -0.738 20 0 CBADRP CC[C@@H](C(=O)N[C@@]1(CO)CCC[N@H+](CCO)C1)[NH+](C)C ZINC001407631747 903640050 /nfs/dbraw/zinc/64/00/50/903640050.db2.gz RXMZAMJMSDXZMG-JSGCOSHPSA-N 2 0 287.404 -0.738 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001407795405 903659620 /nfs/dbraw/zinc/65/96/20/903659620.db2.gz BMTNEJZSONJQGM-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[C@@H](C(=O)NCC1([NH2+]CC(N)=O)CCC1)[NH+](C)C ZINC001407796509 903662698 /nfs/dbraw/zinc/66/26/98/903662698.db2.gz DTSAIVZOKMTVFM-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC(N)=O)CC1 ZINC001407891058 903677201 /nfs/dbraw/zinc/67/72/01/903677201.db2.gz MLMYCLZOYDMMSI-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(N)=O)C1 ZINC001408097481 903708689 /nfs/dbraw/zinc/70/86/89/903708689.db2.gz JDOYHPPWKSWNOC-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)NC(=O)CC[NH+](C)C ZINC001408336231 903752911 /nfs/dbraw/zinc/75/29/11/903752911.db2.gz SCNOSDLXTOZBJT-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CCNC(=O)CC[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001408499519 903766493 /nfs/dbraw/zinc/76/64/93/903766493.db2.gz TWWQOEMCIPGMEZ-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001408574066 903789775 /nfs/dbraw/zinc/78/97/75/903789775.db2.gz BZOYJVYYFGKFSG-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001408595260 903791446 /nfs/dbraw/zinc/79/14/46/903791446.db2.gz SPTKNHSSLCPHNL-CYBMUJFWSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@@H]([NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001409290019 903876386 /nfs/dbraw/zinc/87/63/86/903876386.db2.gz FKQKSFSTOKTRGK-PNESKVBLSA-N 2 0 298.431 -0.101 20 0 CBADRP CN(CC(C)(C)C[NH2+][C@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001409438976 903901396 /nfs/dbraw/zinc/90/13/96/903901396.db2.gz FWFAYFAIHWLOPA-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CCn1cncn1 ZINC001409535825 903920121 /nfs/dbraw/zinc/92/01/21/903920121.db2.gz ZQBGWNUEVLRTQI-QWHCGFSZSA-N 2 0 294.403 -0.191 20 0 CBADRP CCCC[C@@H](C[NH2+]CC(=O)NC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001409844601 903973966 /nfs/dbraw/zinc/97/39/66/903973966.db2.gz OWSMBIUTWHLWSA-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CCCC[C@@H](C[NH2+]CC(=O)NC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001409844588 903975529 /nfs/dbraw/zinc/97/55/29/903975529.db2.gz OWSMBIUTWHLWSA-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001410329248 904067478 /nfs/dbraw/zinc/06/74/78/904067478.db2.gz WKLPWEOWFYSWFR-AAEUAGOBSA-N 2 0 296.415 -0.360 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001410336871 904071409 /nfs/dbraw/zinc/07/14/09/904071409.db2.gz WGGGLHCKHOEXRM-STQMWFEESA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC(N)=O ZINC001410368369 904082155 /nfs/dbraw/zinc/08/21/55/904082155.db2.gz BEQLIXFCYROKKO-ZYHUDNBSSA-N 2 0 282.388 -0.750 20 0 CBADRP C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001410477713 904104264 /nfs/dbraw/zinc/10/42/64/904104264.db2.gz BLIUYLUCDCUFHP-WDEREUQCSA-N 2 0 270.377 -0.750 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001410865863 904200260 /nfs/dbraw/zinc/20/02/60/904200260.db2.gz OYTDSUFYBPJTOU-NEPJUHHUSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001411042738 904227304 /nfs/dbraw/zinc/22/73/04/904227304.db2.gz LXWUMPZKAAEDQH-AAEUAGOBSA-N 2 0 287.404 -0.740 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH+](C)CCO)CC[N@@H+]1C ZINC001411171587 904253334 /nfs/dbraw/zinc/25/33/34/904253334.db2.gz RFZUTKSALTVDKZ-JHJVBQTASA-N 2 0 287.404 -0.930 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+]CC(=O)NC)C1 ZINC001411277364 904276416 /nfs/dbraw/zinc/27/64/16/904276416.db2.gz KLESIKHENAAXKX-UHFFFAOYSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH+]1CCC(OCC(=O)N[C@H](CO)Cc2c[nH]cn2)CC1 ZINC001412488673 904591467 /nfs/dbraw/zinc/59/14/67/904591467.db2.gz MOJBHFHRGUYUAN-LBPRGKRZSA-N 2 0 296.371 -0.460 20 0 CBADRP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC001412835566 904747834 /nfs/dbraw/zinc/74/78/34/904747834.db2.gz FLVABWHUHQMBTM-DZGCQCFKSA-N 2 0 298.431 -0.805 20 0 CBADRP C[C@@H]1C[N@H+](CCO)CCN1C[C@H](O)C[NH+](C)C1CC1 ZINC001412995183 904852737 /nfs/dbraw/zinc/85/27/37/904852737.db2.gz LCAHOJLSLWRLNU-TZMCWYRMSA-N 2 0 271.405 -0.560 20 0 CBADRP COC(=O)[C@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)CC[NH+](C)C1 ZINC001413004281 904861188 /nfs/dbraw/zinc/86/11/88/904861188.db2.gz APQFDUJFLMMJTC-OCCSQVGLSA-N 2 0 299.415 -0.522 20 0 CBADRP COC(=O)[C@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)CC[NH+](C)C1 ZINC001413004311 904863540 /nfs/dbraw/zinc/86/35/40/904863540.db2.gz APQFDUJFLMMJTC-TZMCWYRMSA-N 2 0 299.415 -0.522 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)NC(=O)CC[NH+](C)C ZINC001415166378 905571682 /nfs/dbraw/zinc/57/16/82/905571682.db2.gz MFPMKHYCMIAKCT-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)[C@H]1CCC[NH+]1C ZINC001415238349 905584885 /nfs/dbraw/zinc/58/48/85/905584885.db2.gz DTWIDCRVOCELCK-YNEHKIRRSA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001415572934 905642826 /nfs/dbraw/zinc/64/28/26/905642826.db2.gz GPSHTBDPFQNWSR-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@H](C(=O)N(C)CCNC(=O)CC[NH+](C)C)[NH+](C)C ZINC001415606131 905650048 /nfs/dbraw/zinc/65/00/48/905650048.db2.gz KUPNAJIVWIRZRP-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP CC[C@H](C(=O)NC1CN(C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001416014315 905691819 /nfs/dbraw/zinc/69/18/19/905691819.db2.gz KXBKABBLNSTURW-GFCCVEGCSA-N 2 0 284.404 -0.395 20 0 CBADRP CC[C@@H](C(=O)N1CC(NC(=O)C[N@H+](C)C(C)C)C1)[NH+](C)C ZINC001416005216 905692007 /nfs/dbraw/zinc/69/20/07/905692007.db2.gz HZBZGXGOCNMMLV-ZDUSSCGKSA-N 2 0 298.431 -0.006 20 0 CBADRP C[NH+](C)CCC(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001416051486 905701065 /nfs/dbraw/zinc/70/10/65/905701065.db2.gz YEVKTHROGUYIOV-UHFFFAOYSA-N 2 0 270.377 -0.783 20 0 CBADRP C[NH+](C)CCC(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001416126593 905715969 /nfs/dbraw/zinc/71/59/69/905715969.db2.gz OAGZNTGKLQOYHJ-CYBMUJFWSA-N 2 0 296.415 -0.536 20 0 CBADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001417245711 905881603 /nfs/dbraw/zinc/88/16/03/905881603.db2.gz PNJQOGFTVYHDBI-CYBMUJFWSA-N 2 0 296.415 -0.299 20 0 CBADRP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)COC1CC[NH+](C)CC1 ZINC001417748593 906037866 /nfs/dbraw/zinc/03/78/66/906037866.db2.gz VHCKHZIRMIRJEG-CYBMUJFWSA-N 2 0 299.415 -0.378 20 0 CBADRP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)COC1CC[NH+](C)CC1 ZINC001417748598 906039262 /nfs/dbraw/zinc/03/92/62/906039262.db2.gz VHCKHZIRMIRJEG-ZDUSSCGKSA-N 2 0 299.415 -0.378 20 0 CBADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C[NH2+]CC(N)=O)C1 ZINC001417811804 906056875 /nfs/dbraw/zinc/05/68/75/906056875.db2.gz DRSZAIOEMBOHQQ-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP CC1CC[NH+](CC(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001417800427 906060111 /nfs/dbraw/zinc/06/01/11/906060111.db2.gz GWCYXSMSUFIAAN-JOCQHMNTSA-N 2 0 296.415 -0.312 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCCN2CCN(CCF)CC2)C1 ZINC001417928714 906109821 /nfs/dbraw/zinc/10/98/21/906109821.db2.gz LTAHOJVVALERLZ-ZDUSSCGKSA-N 2 0 286.395 -0.359 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001417953738 906124399 /nfs/dbraw/zinc/12/43/99/906124399.db2.gz MNWREPYLDUFFCW-QWHCGFSZSA-N 2 0 287.404 -0.476 20 0 CBADRP C[C@H](O)C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001418010441 906134733 /nfs/dbraw/zinc/13/47/33/906134733.db2.gz PXACZNWWZYOOFK-WCQYABFASA-N 2 0 281.400 -0.053 20 0 CBADRP CC(C)CNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001418044160 906145826 /nfs/dbraw/zinc/14/58/26/906145826.db2.gz MTXZKPHIIKCILR-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001418052553 906147856 /nfs/dbraw/zinc/14/78/56/906147856.db2.gz XJXYHJXABQGYRL-LBPRGKRZSA-N 2 0 284.404 -0.395 20 0 CBADRP CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001418121425 906175919 /nfs/dbraw/zinc/17/59/19/906175919.db2.gz DOPRVFODBDYJKP-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001418135982 906178975 /nfs/dbraw/zinc/17/89/75/906178975.db2.gz XTBJBHNMAFDZLE-TXEJJXNPSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001418145127 906182252 /nfs/dbraw/zinc/18/22/52/906182252.db2.gz FTLGVSBRNSODEW-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001418165635 906185496 /nfs/dbraw/zinc/18/54/96/906185496.db2.gz QZXXWGSQVCJJIQ-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21)[NH+](C)C ZINC001418179762 906190175 /nfs/dbraw/zinc/19/01/75/906190175.db2.gz BFSQAHIBLCGEFG-DGTMBMJNSA-N 2 0 283.416 0.000 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC(=O)N(C)C ZINC001418226558 906223553 /nfs/dbraw/zinc/22/35/53/906223553.db2.gz LLTSGXACXNSSHN-AAEUAGOBSA-N 2 0 296.415 -0.489 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC)CC[N@@H+]1C ZINC001418233292 906228842 /nfs/dbraw/zinc/22/88/42/906228842.db2.gz XJMFFIYJIDUMDV-SDDRHHMPSA-N 2 0 284.404 -0.443 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001418235762 906232507 /nfs/dbraw/zinc/23/25/07/906232507.db2.gz OGIUGPKDWXTRHN-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001418244502 906238591 /nfs/dbraw/zinc/23/85/91/906238591.db2.gz YQAMERCNXZWLNO-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)N1CCC1 ZINC001418274740 906251541 /nfs/dbraw/zinc/25/15/41/906251541.db2.gz YFNUECZFSBMXIS-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001418296906 906267998 /nfs/dbraw/zinc/26/79/98/906267998.db2.gz CHTPHZGXSNRAGC-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001418303223 906270986 /nfs/dbraw/zinc/27/09/86/906270986.db2.gz RUWGUSLDGYVDAR-NSHDSACASA-N 2 0 282.388 -0.687 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001418314873 906276783 /nfs/dbraw/zinc/27/67/83/906276783.db2.gz IWRNAFDYTJWGTR-GFCCVEGCSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H]([NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001418319790 906278448 /nfs/dbraw/zinc/27/84/48/906278448.db2.gz TWQRUTNRAKHIRI-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001418328445 906283000 /nfs/dbraw/zinc/28/30/00/906283000.db2.gz NSCWIUTVMVCQRF-STQMWFEESA-N 2 0 294.399 -0.735 20 0 CBADRP CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001418345804 906292136 /nfs/dbraw/zinc/29/21/36/906292136.db2.gz CWZWEANHMVAXRT-YPMHNXCESA-N 2 0 284.404 -0.504 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001418362768 906296391 /nfs/dbraw/zinc/29/63/91/906296391.db2.gz UVUUIFZBQXSDBJ-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H]1CCNC1=O ZINC001418415280 906312627 /nfs/dbraw/zinc/31/26/27/906312627.db2.gz BBEKBERRYBJEPO-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001418665013 906442562 /nfs/dbraw/zinc/44/25/62/906442562.db2.gz HIKJPDPIMKQVKL-PHIMTYICSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+](CCO)C1CC1 ZINC001418815257 906484038 /nfs/dbraw/zinc/48/40/38/906484038.db2.gz VQSZKVVADVRWHK-ZDUSSCGKSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001418825602 906489139 /nfs/dbraw/zinc/48/91/39/906489139.db2.gz IRPLAAUYSFAYMY-LBPRGKRZSA-N 2 0 298.431 -0.147 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001418836244 906492684 /nfs/dbraw/zinc/49/26/84/906492684.db2.gz YHLTXGKCENAMAZ-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001418836264 906495654 /nfs/dbraw/zinc/49/56/54/906495654.db2.gz YHLTXGKCENAMAZ-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CN(C(=O)CC[NH+](C)C)[C@H]1CCN(CC(=O)NC2CC2)C1 ZINC001419121541 906604040 /nfs/dbraw/zinc/60/40/40/906604040.db2.gz LWFYADHUAOTUOW-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(=O)NC ZINC001419190784 906632250 /nfs/dbraw/zinc/63/22/50/906632250.db2.gz FNASHDWYZFPZPY-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001419315269 906661250 /nfs/dbraw/zinc/66/12/50/906661250.db2.gz AKQKONQKDQFKOU-DGCLKSJQSA-N 2 0 298.431 -0.055 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001419382545 906672741 /nfs/dbraw/zinc/67/27/41/906672741.db2.gz DPSGOEODQXKYPM-NSHDSACASA-N 2 0 280.372 -0.981 20 0 CBADRP CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001419420523 906681716 /nfs/dbraw/zinc/68/17/16/906681716.db2.gz YUVQCAVCNIVOAW-IJLUTSLNSA-N 2 0 282.388 -0.594 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001419421702 906682451 /nfs/dbraw/zinc/68/24/51/906682451.db2.gz DBDBJBLRZRCGFK-SRVKXCTJSA-N 2 0 294.399 -0.547 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001419413437 906683482 /nfs/dbraw/zinc/68/34/82/906683482.db2.gz NQJURVKHCZESIU-CYDGBPFRSA-N 2 0 296.415 -0.206 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001419471460 906698934 /nfs/dbraw/zinc/69/89/34/906698934.db2.gz QYRVYHLEDXUAEF-PHIMTYICSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[C@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001419490225 906703567 /nfs/dbraw/zinc/70/35/67/906703567.db2.gz YIZFTAPFTUPAPU-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]CC(=O)N(C)C ZINC001419490116 906703655 /nfs/dbraw/zinc/70/36/55/906703655.db2.gz YFRGUXYMZGWPEW-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]CC(=O)N1CCCC1 ZINC001419520968 906710871 /nfs/dbraw/zinc/71/08/71/906710871.db2.gz PBOIBHDJZXWUBF-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001419519676 906713364 /nfs/dbraw/zinc/71/33/64/906713364.db2.gz NQJURVKHCZESIU-QNWHQSFQSA-N 2 0 296.415 -0.206 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001419546677 906718310 /nfs/dbraw/zinc/71/83/10/906718310.db2.gz QZAUTPLXEYXCOG-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1cnnn1C ZINC001419552012 906720427 /nfs/dbraw/zinc/72/04/27/906720427.db2.gz WYPMEQKABTVIOJ-GFCCVEGCSA-N 2 0 294.403 -0.247 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001419572565 906731511 /nfs/dbraw/zinc/73/15/11/906731511.db2.gz SNWMYWNAQMHBLE-QWHCGFSZSA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001419575897 906731762 /nfs/dbraw/zinc/73/17/62/906731762.db2.gz YAXHANWOPHGNRK-FRRDWIJNSA-N 2 0 296.415 -0.360 20 0 CBADRP CC[C@@H](C(=O)NCC1([NH2+]CC(N)=O)CCCC1)[NH+](C)C ZINC001419616515 906743138 /nfs/dbraw/zinc/74/31/38/906743138.db2.gz PPMGXBZFSQJVSE-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC)CC[N@@H+]1C ZINC001419676074 906764628 /nfs/dbraw/zinc/76/46/28/906764628.db2.gz PRZLQUOGJYSZSW-FRRDWIJNSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)CCC[NH+](C)C ZINC001419705710 906773551 /nfs/dbraw/zinc/77/35/51/906773551.db2.gz RPVKPVWXIJTCHW-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)CC[NH+](C)C ZINC001419720175 906781403 /nfs/dbraw/zinc/78/14/03/906781403.db2.gz XPHDQRDWFZFJDO-NSHDSACASA-N 2 0 282.392 -0.297 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCN(C)C1=O)N(C)C(=O)C[NH+]1CCCC1 ZINC001419748612 906800211 /nfs/dbraw/zinc/80/02/11/906800211.db2.gz QSLRMBNMAXBVBG-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)N(C)C(=O)C[NH+]1CCCC1 ZINC001419748617 906801610 /nfs/dbraw/zinc/80/16/10/906801610.db2.gz QSLRMBNMAXBVBG-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001419755507 906806172 /nfs/dbraw/zinc/80/61/72/906806172.db2.gz QYHLYXHDXPGSHM-DGCLKSJQSA-N 2 0 286.420 -0.245 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCn1cncn1 ZINC001419765927 906808039 /nfs/dbraw/zinc/80/80/39/906808039.db2.gz AJSRXYIOJPMFID-CHWSQXEVSA-N 2 0 294.403 -0.143 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)C(N)=O ZINC001419766023 906808464 /nfs/dbraw/zinc/80/84/64/906808464.db2.gz MQWDPUZCDUKARN-WDEREUQCSA-N 2 0 272.393 -0.363 20 0 CBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H]1CCNC1=O ZINC001419780600 906810934 /nfs/dbraw/zinc/81/09/34/906810934.db2.gz VJEHFFKCFBFZJY-GHMZBOCLSA-N 2 0 282.388 -0.547 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001419799667 906814783 /nfs/dbraw/zinc/81/47/83/906814783.db2.gz RZRGOFZQHNVHCA-CHWSQXEVSA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001419782133 906815729 /nfs/dbraw/zinc/81/57/29/906815729.db2.gz XVKPSWILIFYUPG-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001419843209 906831483 /nfs/dbraw/zinc/83/14/83/906831483.db2.gz SHSIWCWXEZZBAQ-RYUDHWBXSA-N 2 0 294.403 -0.189 20 0 CBADRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+][C@H](C)C(N)=O ZINC001419857476 906837023 /nfs/dbraw/zinc/83/70/23/906837023.db2.gz YFQGBSAVIMMOSC-GHMZBOCLSA-N 2 0 286.420 -0.068 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)C(N)=O ZINC001419857485 906837387 /nfs/dbraw/zinc/83/73/87/906837387.db2.gz YFQGBSAVIMMOSC-WDEREUQCSA-N 2 0 286.420 -0.068 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001419891701 906849141 /nfs/dbraw/zinc/84/91/41/906849141.db2.gz CNCWJDXDLWVVHP-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001419904805 906855816 /nfs/dbraw/zinc/85/58/16/906855816.db2.gz QIXKUZLEPKARTD-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001419917677 906857742 /nfs/dbraw/zinc/85/77/42/906857742.db2.gz GKUIXWBQMUVCPN-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cnnn1C ZINC001419934154 906865773 /nfs/dbraw/zinc/86/57/73/906865773.db2.gz JMZPUSNXWZYSJB-LLVKDONJSA-N 2 0 282.392 -0.250 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001419996133 906891048 /nfs/dbraw/zinc/89/10/48/906891048.db2.gz OZCKHMLTNVCAIO-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC(N)=O)CC1 ZINC001420112849 906947420 /nfs/dbraw/zinc/94/74/20/906947420.db2.gz IFGKBDHSWSPOTR-NWDGAFQWSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+][C@H](C)C(N)=O ZINC001420124053 906956651 /nfs/dbraw/zinc/95/66/51/906956651.db2.gz GRZWJTXSAYOTOE-GHMZBOCLSA-N 2 0 284.404 -0.314 20 0 CBADRP COC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001420142387 906965502 /nfs/dbraw/zinc/96/55/02/906965502.db2.gz QFXGDZPZXOZAJU-NWDGAFQWSA-N 2 0 287.404 -0.428 20 0 CBADRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cnn(C)n1 ZINC001420161126 906980385 /nfs/dbraw/zinc/98/03/85/906980385.db2.gz LWDOBURKCBIJDE-GFCCVEGCSA-N 2 0 294.403 -0.105 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001420226692 907029489 /nfs/dbraw/zinc/02/94/89/907029489.db2.gz GMSIOWFNODJPTM-NEPJUHHUSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001420219342 907029958 /nfs/dbraw/zinc/02/99/58/907029958.db2.gz DLPWFGYMASLYKQ-RYUDHWBXSA-N 2 0 296.415 -0.027 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)C[NH+]1CCCC1 ZINC001420251302 907051105 /nfs/dbraw/zinc/05/11/05/907051105.db2.gz LQBOTKSFLLWJPW-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001420304785 907087483 /nfs/dbraw/zinc/08/74/83/907087483.db2.gz CIQBLDZJQOSRDR-GHMZBOCLSA-N 2 0 272.393 -0.443 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)CC[NH+](C)C ZINC001420341712 907106870 /nfs/dbraw/zinc/10/68/70/907106870.db2.gz USXHPMVVGNVXKD-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001420364622 907122399 /nfs/dbraw/zinc/12/23/99/907122399.db2.gz FQQHMIYNEAYYII-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001420374204 907126904 /nfs/dbraw/zinc/12/69/04/907126904.db2.gz SLFVDXLRFBLTEO-NEPJUHHUSA-N 2 0 294.399 -0.593 20 0 CBADRP CC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)[C@@H]1CCNC1=O ZINC001420401331 907142877 /nfs/dbraw/zinc/14/28/77/907142877.db2.gz VNFHMMPPOVGKHF-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001420432990 907160769 /nfs/dbraw/zinc/16/07/69/907160769.db2.gz BAYRAGHDIIWZSZ-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001420464229 907174830 /nfs/dbraw/zinc/17/48/30/907174830.db2.gz SQNAZAXNIKGLFK-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CCn1ccnc1 ZINC001420463747 907175805 /nfs/dbraw/zinc/17/58/05/907175805.db2.gz YTIRGBJCJUPACY-NSHDSACASA-N 2 0 281.360 -0.496 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001420520887 907194656 /nfs/dbraw/zinc/19/46/56/907194656.db2.gz XCQXLYHNLBOLAA-NWDGAFQWSA-N 2 0 284.404 -0.301 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001420550571 907207619 /nfs/dbraw/zinc/20/76/19/907207619.db2.gz AMPKSVNNYYJVHT-ZDUSSCGKSA-N 2 0 298.431 -0.147 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@H](C)C(=O)NC)C1 ZINC001420555100 907208985 /nfs/dbraw/zinc/20/89/85/907208985.db2.gz WZIJROOTFOADQD-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCO)CCC2)C1 ZINC001502017564 921319073 /nfs/dbraw/zinc/31/90/73/921319073.db2.gz OKWKYCVKNYUFSW-GFCCVEGCSA-N 2 0 269.389 -0.051 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]CC(=O)N(C)C)CC1 ZINC001420995090 907384170 /nfs/dbraw/zinc/38/41/70/907384170.db2.gz NIRUZUURUMGSMP-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP NC(=O)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001502017457 921320498 /nfs/dbraw/zinc/32/04/98/921320498.db2.gz KPHDBTMAZQFTRX-UHFFFAOYSA-N 2 0 280.372 -0.804 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001421244285 907471545 /nfs/dbraw/zinc/47/15/45/907471545.db2.gz BRODZRFFZHFDGE-HZSPNIEDSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001421249094 907474596 /nfs/dbraw/zinc/47/45/96/907474596.db2.gz KBNNKVKSZNWRAH-SMDDNHRTSA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@](C)(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001421249020 907475035 /nfs/dbraw/zinc/47/50/35/907475035.db2.gz JYSJRUSTMBFDOB-IUODEOHRSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001421249076 907476814 /nfs/dbraw/zinc/47/68/14/907476814.db2.gz KBNNKVKSZNWRAH-BXUZGUMPSA-N 2 0 284.404 -0.360 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CC[NH+](CC3CC3)C2)C1 ZINC001421383848 907514389 /nfs/dbraw/zinc/51/43/89/907514389.db2.gz DIEMDDOPPRQIKZ-DZGCQCFKSA-N 2 0 281.400 -0.099 20 0 CBADRP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC(N)=O ZINC001421421367 907539475 /nfs/dbraw/zinc/53/94/75/907539475.db2.gz NQGJKXUUHPHUJA-NWDGAFQWSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC(N)=O ZINC001421421380 907540369 /nfs/dbraw/zinc/54/03/69/907540369.db2.gz NQGJKXUUHPHUJA-VXGBXAGGSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001421425067 907543036 /nfs/dbraw/zinc/54/30/36/907543036.db2.gz YJLSJTVIHPQVQX-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP CN(C[C@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CC(F)(F)F ZINC001421487740 907564264 /nfs/dbraw/zinc/56/42/64/907564264.db2.gz XKZYKOSADHUBQG-AXFHLTTASA-N 2 0 281.322 -0.007 20 0 CBADRP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]CC(=O)N(C)C ZINC001421493065 907569317 /nfs/dbraw/zinc/56/93/17/907569317.db2.gz DEHHAONJJDHMEH-GFCCVEGCSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(=O)NC)C1 ZINC001421531716 907576006 /nfs/dbraw/zinc/57/60/06/907576006.db2.gz XKTYJLOBQWOIJK-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001421570348 907580639 /nfs/dbraw/zinc/58/06/39/907580639.db2.gz HZQOFAMLPZLQCB-SDDRHHMPSA-N 2 0 282.388 -0.798 20 0 CBADRP C[C@H](O)C[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001421626442 907594926 /nfs/dbraw/zinc/59/49/26/907594926.db2.gz QVOPIWCADPCGJX-GXTWGEPZSA-N 2 0 287.404 -0.738 20 0 CBADRP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001421707900 907623043 /nfs/dbraw/zinc/62/30/43/907623043.db2.gz LLGXKWVYXNEWPT-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001421748719 907631954 /nfs/dbraw/zinc/63/19/54/907631954.db2.gz JECYYBSZXXZROX-WCQYABFASA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001421847918 907657454 /nfs/dbraw/zinc/65/74/54/907657454.db2.gz SUINRGKJWMJCJN-GFCCVEGCSA-N 2 0 296.415 -0.025 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001421915166 907677580 /nfs/dbraw/zinc/67/75/80/907677580.db2.gz VWICLBLZWACQQH-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001421915171 907677796 /nfs/dbraw/zinc/67/77/96/907677796.db2.gz VWICLBLZWACQQH-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001502135092 921343859 /nfs/dbraw/zinc/34/38/59/921343859.db2.gz GXLCYMZUPGHYQX-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001421992746 907697850 /nfs/dbraw/zinc/69/78/50/907697850.db2.gz PRUFCXUCQJOOBD-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001421996807 907699224 /nfs/dbraw/zinc/69/92/24/907699224.db2.gz XESDDAMMNAXMIG-NEPJUHHUSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CCn1cncn1 ZINC001422066576 907710561 /nfs/dbraw/zinc/71/05/61/907710561.db2.gz RUVDODGGLBJWLJ-STQMWFEESA-N 2 0 294.403 -0.334 20 0 CBADRP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nncn1C ZINC001422119726 907720281 /nfs/dbraw/zinc/72/02/81/907720281.db2.gz NUKOWEMLLGLKET-GFCCVEGCSA-N 2 0 296.419 -0.003 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]([NH2+][C@H]1CCNC1=O)C(C)C ZINC001422128105 907721851 /nfs/dbraw/zinc/72/18/51/907721851.db2.gz BQPLCDQUPFHNJK-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@@H](C)C(N)=O ZINC001422135762 907724729 /nfs/dbraw/zinc/72/47/29/907724729.db2.gz NLVPYXFXVFFPFJ-NWDGAFQWSA-N 2 0 286.420 -0.069 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001502205507 921348108 /nfs/dbraw/zinc/34/81/08/921348108.db2.gz AKBVWIKCROBLEQ-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)[C@@H](C)[NH2+]CCO ZINC001422396740 907840545 /nfs/dbraw/zinc/84/05/45/907840545.db2.gz NTHFJZSJQZPKFP-VXGBXAGGSA-N 2 0 297.403 -0.467 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CC[NH2+][C@H]1CCNC1=O ZINC001422436813 907856511 /nfs/dbraw/zinc/85/65/11/907856511.db2.gz KEUSATFENWAUOO-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001422449172 907864839 /nfs/dbraw/zinc/86/48/39/907864839.db2.gz JQLCFNCCTGVAJN-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001422539842 907913434 /nfs/dbraw/zinc/91/34/34/907913434.db2.gz DDFYNTYKQKGRNF-UPJWGTAASA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@H]1CCN(C)C1=O ZINC001422557081 907924613 /nfs/dbraw/zinc/92/46/13/907924613.db2.gz AFKIJKYFLGEDGX-RYUDHWBXSA-N 2 0 284.404 -0.395 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCCN(C)C1=O)NC(=O)C[NH+]1CCCC1 ZINC001422618200 907944235 /nfs/dbraw/zinc/94/42/35/907944235.db2.gz VSSIMGAOYSRUAV-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)C(N)=O ZINC001422617394 907944567 /nfs/dbraw/zinc/94/45/67/907944567.db2.gz KABDDUUQZLDKBH-GHMZBOCLSA-N 2 0 272.393 -0.315 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001422696026 907975384 /nfs/dbraw/zinc/97/53/84/907975384.db2.gz NIFVSWCEIDWEGZ-WCQYABFASA-N 2 0 287.404 -0.570 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001422703097 907979610 /nfs/dbraw/zinc/97/96/10/907979610.db2.gz HSVAUMKSURCIRX-WDEREUQCSA-N 2 0 272.393 -0.443 20 0 CBADRP C[NH+]1CCC(C(=O)N2CCC[C@](CO)([NH2+]CCO)C2)CC1 ZINC001502586268 921371185 /nfs/dbraw/zinc/37/11/85/921371185.db2.gz IWFORASMDUWYRI-HNNXBMFYSA-N 2 0 299.415 -0.736 20 0 CBADRP COCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001502600560 921371267 /nfs/dbraw/zinc/37/12/67/921371267.db2.gz XJHZXCWGOGHEFB-ZFWWWQNUSA-N 2 0 299.415 -0.472 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]CCCO)C2)C1 ZINC001502599470 921372126 /nfs/dbraw/zinc/37/21/26/921372126.db2.gz ADYOIWBVWBGXFE-UKRRQHHQSA-N 2 0 299.415 -0.736 20 0 CBADRP C[C@@H](C[N@H+](C)[C@H]1CCCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001422929378 908058208 /nfs/dbraw/zinc/05/82/08/908058208.db2.gz GGZLMTDQLAHICH-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP Cn1ncnc1C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001422918854 908060306 /nfs/dbraw/zinc/06/03/06/908060306.db2.gz UGSCGGSWJXVGCU-HAQNSBGRSA-N 2 0 294.403 -0.249 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001423037210 908086667 /nfs/dbraw/zinc/08/66/67/908086667.db2.gz FHTGVEQDDZZCPM-OLZOCXBDSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@H](C(=O)N[C@H](C[NH2+]CC(=O)N(C)C)C1CC1)[NH+](C)C ZINC001423044660 908089262 /nfs/dbraw/zinc/08/92/62/908089262.db2.gz XJBBHYQQRYBGSF-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001423080318 908103913 /nfs/dbraw/zinc/10/39/13/908103913.db2.gz SMXFNMXITQRIGT-NWDGAFQWSA-N 2 0 286.420 -0.149 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1)C(N)=O ZINC001423171945 908124141 /nfs/dbraw/zinc/12/41/41/908124141.db2.gz VUXNLWCPBWNVQZ-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O ZINC001423169033 908125816 /nfs/dbraw/zinc/12/58/16/908125816.db2.gz HBSOAZYSPSPOTF-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCCNC1=O ZINC001423168489 908125957 /nfs/dbraw/zinc/12/59/57/908125957.db2.gz OUFWDCCIMCUKRJ-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+]1CCCO ZINC001423182719 908137295 /nfs/dbraw/zinc/13/72/95/908137295.db2.gz TZFCLOCNSHBEBM-KBPBESRZSA-N 2 0 299.415 -0.472 20 0 CBADRP CO[C@@H](C)C[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001423225117 908166576 /nfs/dbraw/zinc/16/65/76/908166576.db2.gz DSFOXQSXSKKEHW-QWHCGFSZSA-N 2 0 299.415 -0.284 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001423239012 908173791 /nfs/dbraw/zinc/17/37/91/908173791.db2.gz CMLMGTUDSHBGGY-RYUDHWBXSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001423239016 908174056 /nfs/dbraw/zinc/17/40/56/908174056.db2.gz CMLMGTUDSHBGGY-VXGBXAGGSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CC1)C(N)=O ZINC001423278450 908189008 /nfs/dbraw/zinc/18/90/08/908189008.db2.gz FPZCFYJPDXYWIK-LBPRGKRZSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1([NH2+][C@@H](C)C(N)=O)CC1 ZINC001423287971 908191788 /nfs/dbraw/zinc/19/17/88/908191788.db2.gz GAZFLUUTEPTRGR-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP CC(C)[C@@H](C(=O)NCC1([NH2+]CC(N)=O)CC1)[NH+]1CCCC1 ZINC001423307310 908197549 /nfs/dbraw/zinc/19/75/49/908197549.db2.gz NBHVDYZQFCTSBB-ZDUSSCGKSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]1[C@@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001423332105 908206018 /nfs/dbraw/zinc/20/60/18/908206018.db2.gz VLCYVGCAJFYOQD-YPMHNXCESA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001423395548 908218916 /nfs/dbraw/zinc/21/89/16/908218916.db2.gz ZDEVTGXNRXUHRV-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001423409171 908222976 /nfs/dbraw/zinc/22/29/76/908222976.db2.gz LHUUIOMVVYGEHV-NWDGAFQWSA-N 2 0 296.415 -0.312 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001423472608 908247218 /nfs/dbraw/zinc/24/72/18/908247218.db2.gz CVRSSWJVLTVLAC-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001423532216 908275196 /nfs/dbraw/zinc/27/51/96/908275196.db2.gz JHZLMQNWAVFXMM-ZDUSSCGKSA-N 2 0 299.415 -0.520 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001423795392 908336006 /nfs/dbraw/zinc/33/60/06/908336006.db2.gz ANLFOONSWUOAQC-CQSZACIVSA-N 2 0 285.388 -0.982 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001423948233 908377006 /nfs/dbraw/zinc/37/70/06/908377006.db2.gz MMDAWWSWNDDKKP-STQMWFEESA-N 2 0 298.431 -0.112 20 0 CBADRP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)NC(=O)Cc1c[nH]cn1 ZINC001423980471 908377388 /nfs/dbraw/zinc/37/73/88/908377388.db2.gz WLRIFXQOPDFXTG-QWRGUYRKSA-N 2 0 295.387 -0.087 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H](CC[NH2+][C@H]2CCNC2=O)C1 ZINC001424094304 908407202 /nfs/dbraw/zinc/40/72/02/908407202.db2.gz XKGOIRWDODNGKK-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1)C(N)=O ZINC001424092312 908407293 /nfs/dbraw/zinc/40/72/93/908407293.db2.gz VNCHDAWDNHKGLJ-WDEREUQCSA-N 2 0 293.371 -0.346 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]CC(N)=O)CCC2)C1 ZINC001424213552 908424042 /nfs/dbraw/zinc/42/40/42/908424042.db2.gz MUODSQFWJGRAQZ-NSHDSACASA-N 2 0 282.388 -0.558 20 0 CBADRP CN(C)C(=O)C[N@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001424304715 908440986 /nfs/dbraw/zinc/44/09/86/908440986.db2.gz FOANPNJLUSWBAO-UHFFFAOYSA-N 2 0 286.420 -0.193 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CC1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001424733063 908493107 /nfs/dbraw/zinc/49/31/07/908493107.db2.gz WBZIVUOGLXDOFL-HIFPTAJRSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CC1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001424733065 908494140 /nfs/dbraw/zinc/49/41/40/908494140.db2.gz WBZIVUOGLXDOFL-PNESKVBLSA-N 2 0 298.431 -0.053 20 0 CBADRP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+][C@H]2CCNC2=O)C1 ZINC001424758264 908501929 /nfs/dbraw/zinc/50/19/29/908501929.db2.gz ZLNQVVHXYLPRFJ-BPCQOVAHSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H](C)[NH2+]CC(N)=O ZINC001424796100 908509780 /nfs/dbraw/zinc/50/97/80/908509780.db2.gz XDQIMSKHHAITJW-GHMZBOCLSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)[NH2+]CC(N)=O ZINC001424802386 908509879 /nfs/dbraw/zinc/50/98/79/908509879.db2.gz GYMBSDFVTRWXED-GHMZBOCLSA-N 2 0 286.420 -0.068 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001425414698 908644124 /nfs/dbraw/zinc/64/41/24/908644124.db2.gz FHDWAVDDGNJTNH-YRGRVCCFSA-N 2 0 298.431 -0.197 20 0 CBADRP C[C@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+]CC(=O)N(C)C ZINC001425580603 908676844 /nfs/dbraw/zinc/67/68/44/908676844.db2.gz PUZUMIOVJKUSLV-GFCCVEGCSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001425593994 908681756 /nfs/dbraw/zinc/68/17/56/908681756.db2.gz KIPCVMLJYOAXOA-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001425663039 908687093 /nfs/dbraw/zinc/68/70/93/908687093.db2.gz PQONOSBZOGEFIP-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001425656560 908687493 /nfs/dbraw/zinc/68/74/93/908687493.db2.gz OJXZYBLKTANZQO-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001425663031 908687610 /nfs/dbraw/zinc/68/76/10/908687610.db2.gz PQONOSBZOGEFIP-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001425686132 908688772 /nfs/dbraw/zinc/68/87/72/908688772.db2.gz UZITZNKNLJVUOI-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001425681607 908690556 /nfs/dbraw/zinc/69/05/56/908690556.db2.gz NEPSVPJIPCKYAQ-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC001425666298 908691046 /nfs/dbraw/zinc/69/10/46/908691046.db2.gz UVFUGVIPJCGSAM-MNOVXSKESA-N 2 0 272.393 -0.362 20 0 CBADRP CC(C)[C@H](C(=O)NC1CC(C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001505516661 921433163 /nfs/dbraw/zinc/43/31/63/921433163.db2.gz GAAJLCACZNGDIY-GCZXYKMCSA-N 2 0 284.404 -0.458 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC2CC(C[NH2+]CC(N)=O)C2)C1 ZINC001505529104 921434771 /nfs/dbraw/zinc/43/47/71/921434771.db2.gz BUVDXFCDAKFQNU-VOMCLLRMSA-N 2 0 282.388 -0.702 20 0 CBADRP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+][C@@H](C)C(N)=O)C1 ZINC001505528857 921435397 /nfs/dbraw/zinc/43/53/97/921435397.db2.gz SVHOSZKHPORXQO-UNXYVOJBSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001425809412 908747789 /nfs/dbraw/zinc/74/77/89/908747789.db2.gz QFVVFPUJYJRBSX-RYUDHWBXSA-N 2 0 273.377 -0.959 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]Cc1cccnc1 ZINC001425838654 908758880 /nfs/dbraw/zinc/75/88/80/908758880.db2.gz LIXGEQYTTYJJGJ-AWEZNQCLSA-N 2 0 292.383 -0.256 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001425953463 908785665 /nfs/dbraw/zinc/78/56/65/908785665.db2.gz CFWDKOASCBNHOB-RYUDHWBXSA-N 2 0 284.404 -0.314 20 0 CBADRP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001426076894 908825643 /nfs/dbraw/zinc/82/56/43/908825643.db2.gz KLUGHLXWQYPZTQ-UONOGXRCSA-N 2 0 299.415 -0.928 20 0 CBADRP CNC(=O)C[NH+]1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001426195861 908842818 /nfs/dbraw/zinc/84/28/18/908842818.db2.gz XQNCQIZAJGWJPY-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001505682578 921468041 /nfs/dbraw/zinc/46/80/41/921468041.db2.gz UIIPPLQSTUWXLE-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001505753716 921476341 /nfs/dbraw/zinc/47/63/41/921476341.db2.gz ISBFAZACUYPIBL-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001505760784 921478528 /nfs/dbraw/zinc/47/85/28/921478528.db2.gz OYYXZGQIYKXXAR-RYUDHWBXSA-N 2 0 286.420 -0.102 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CCNC(=O)CC[NH+](C)C)C1 ZINC001429472467 909246841 /nfs/dbraw/zinc/24/68/41/909246841.db2.gz USWMPXATWWTJGG-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001429483945 909249046 /nfs/dbraw/zinc/24/90/46/909249046.db2.gz XYOAVNYSCQRCHQ-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]1CNC(=O)CC[NH+](C)C)[NH+](C)C ZINC001505868473 921488572 /nfs/dbraw/zinc/48/85/72/921488572.db2.gz ZEXYOPVYHNBGKP-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[NH+]1CCC(C[NH2+]Cc2cn(CC(N)=O)nn2)CC1 ZINC001434502362 910240377 /nfs/dbraw/zinc/24/03/77/910240377.db2.gz QEKYMSKBXDMKNK-UHFFFAOYSA-N 2 0 280.376 -0.415 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001436398531 910437621 /nfs/dbraw/zinc/43/76/21/910437621.db2.gz VFHIBFRSNJFGHL-SRVKXCTJSA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@@H]([NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1)C(N)=O ZINC001436825992 910492249 /nfs/dbraw/zinc/49/22/49/910492249.db2.gz IJVAFKWPIXWAKK-ZYHUDNBSSA-N 2 0 282.388 -0.560 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001436838305 910492313 /nfs/dbraw/zinc/49/23/13/910492313.db2.gz UAQSBERQELQEBF-YPMHNXCESA-N 2 0 284.404 -0.458 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001436825278 910493153 /nfs/dbraw/zinc/49/31/53/910493153.db2.gz HHANCZUJKPUTQZ-DGCLKSJQSA-N 2 0 296.415 -0.441 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)C1)[NH+](C)C ZINC001436903420 910505983 /nfs/dbraw/zinc/50/59/83/910505983.db2.gz WSIKZGSVDNUWHP-NQBHXWOUSA-N 2 0 294.403 -0.108 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001436925888 910509571 /nfs/dbraw/zinc/50/95/71/910509571.db2.gz JWKNVBVJLZHRGK-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001436928713 910509707 /nfs/dbraw/zinc/50/97/07/910509707.db2.gz JBZBIYCYCDRGPP-JHJVBQTASA-N 2 0 285.388 -0.816 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001436955224 910518055 /nfs/dbraw/zinc/51/80/55/910518055.db2.gz XUFRMNRRYGLEIE-FRRDWIJNSA-N 2 0 296.415 -0.158 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001437016630 910527882 /nfs/dbraw/zinc/52/78/82/910527882.db2.gz VSQGHXNIPXOMJG-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001437199540 910581886 /nfs/dbraw/zinc/58/18/86/910581886.db2.gz CSBADRDNAXBOPL-GHMZBOCLSA-N 2 0 270.377 -0.832 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001437199545 910582787 /nfs/dbraw/zinc/58/27/87/910582787.db2.gz CSBADRDNAXBOPL-MNOVXSKESA-N 2 0 270.377 -0.832 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)CC)[NH+](C)C ZINC001437244525 910598324 /nfs/dbraw/zinc/59/83/24/910598324.db2.gz YFCGFBVMKFCJHI-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccnn1C ZINC001437258410 910600492 /nfs/dbraw/zinc/60/04/92/910600492.db2.gz HHGCCHIVJQWGHF-RYUDHWBXSA-N 2 0 279.388 -0.034 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001437299072 910609278 /nfs/dbraw/zinc/60/92/78/910609278.db2.gz DXFAXDPWNZTEON-STQMWFEESA-N 2 0 296.415 -0.217 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001437416600 910629169 /nfs/dbraw/zinc/62/91/69/910629169.db2.gz FEQKUXAPGXEXLK-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP CCC[N@H+](CCNC(=O)CC[NH+](C)C)[C@H]1CCNC1=O ZINC001437757646 910742658 /nfs/dbraw/zinc/74/26/58/910742658.db2.gz CCJKJXKLXJVLAF-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H](C)C(=O)NC ZINC001437768050 910745357 /nfs/dbraw/zinc/74/53/57/910745357.db2.gz MWVPGXHEGIBGAP-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)CCC[NH+](C)C ZINC001437833629 910762221 /nfs/dbraw/zinc/76/22/21/910762221.db2.gz ZCLUHYKOALIXRX-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001437842976 910764931 /nfs/dbraw/zinc/76/49/31/910764931.db2.gz QHFCXMMIUUCJEB-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CC[NH+]1CCCCC1 ZINC001437845562 910765705 /nfs/dbraw/zinc/76/57/05/910765705.db2.gz LVYNTTVNEHGVTF-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCN(CC)C1=O)[NH+](C)C ZINC001437858283 910771131 /nfs/dbraw/zinc/77/11/31/910771131.db2.gz OBHZLWUQKXSLCL-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCCN(C)C1=O)[NH+](C)C ZINC001437858412 910774400 /nfs/dbraw/zinc/77/44/00/910774400.db2.gz PAWWCGUNFAPTDZ-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH+](C)CC(N)=O)C2)CC[N@@H+]1C ZINC001437972238 910786086 /nfs/dbraw/zinc/78/60/86/910786086.db2.gz BBXDZVBNNGYSFO-FRRDWIJNSA-N 2 0 296.415 -0.408 20 0 CBADRP C[C@@H]([NH2+]CC1(NC(=O)CC[NH+](C)C)CCCC1)C(N)=O ZINC001438400064 910889835 /nfs/dbraw/zinc/88/98/35/910889835.db2.gz DRHFNEAFJZRWNE-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@](C[NH2+]CC(N)=O)(NC(=O)Cn1ccnc1)C1CC1 ZINC001438429278 910892025 /nfs/dbraw/zinc/89/20/25/910892025.db2.gz RMFXTGYNNFTSFJ-ZDUSSCGKSA-N 2 0 279.344 -0.757 20 0 CBADRP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]CC(N)=O ZINC001438503416 910909885 /nfs/dbraw/zinc/90/98/85/910909885.db2.gz KPYVFIMFXLKQEN-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]CC(=O)N(C)C ZINC001438524415 910913243 /nfs/dbraw/zinc/91/32/43/910913243.db2.gz VQAPCKGZQPAJKA-LLVKDONJSA-N 2 0 272.393 -0.632 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1cn(C)nn1 ZINC001438548199 910918541 /nfs/dbraw/zinc/91/85/41/910918541.db2.gz PVKAUWTWIVSPLK-RYUDHWBXSA-N 2 0 294.403 -0.391 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001438549492 910919767 /nfs/dbraw/zinc/91/97/67/910919767.db2.gz GANILROUTDNLBL-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001438686360 910953859 /nfs/dbraw/zinc/95/38/59/910953859.db2.gz UGTUDTPIJIGKJI-LBPRGKRZSA-N 2 0 298.431 -0.147 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001438718519 910963538 /nfs/dbraw/zinc/96/35/38/910963538.db2.gz YHVVGDIHMOHSHC-VXGBXAGGSA-N 2 0 286.420 -0.102 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001438805905 910973816 /nfs/dbraw/zinc/97/38/16/910973816.db2.gz CZZLZUMFCASXTD-GFCCVEGCSA-N 2 0 298.431 -0.195 20 0 CBADRP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001438843075 910978745 /nfs/dbraw/zinc/97/87/45/910978745.db2.gz SSERMMUPHUYBIF-CHWSQXEVSA-N 2 0 298.431 -0.243 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001438964549 911019834 /nfs/dbraw/zinc/01/98/34/911019834.db2.gz PDBWCNOVFCDGEL-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001438964553 911022151 /nfs/dbraw/zinc/02/21/51/911022151.db2.gz PDBWCNOVFCDGEL-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP Cc1ncoc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439048007 911072967 /nfs/dbraw/zinc/07/29/67/911072967.db2.gz TVMQOBHCXUXNHR-NEPJUHHUSA-N 2 0 296.371 -0.499 20 0 CBADRP O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001439044346 911073148 /nfs/dbraw/zinc/07/31/48/911073148.db2.gz FFKYSCOPBSSWSX-STQMWFEESA-N 2 0 297.399 -0.815 20 0 CBADRP CO[C@@H](C)C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001439051653 911080263 /nfs/dbraw/zinc/08/02/63/911080263.db2.gz YKTIJGNUOJBRMB-NWDGAFQWSA-N 2 0 285.388 -0.816 20 0 CBADRP C[C@@H]([NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C)c1nnnn1C ZINC001439066593 911080790 /nfs/dbraw/zinc/08/07/90/911080790.db2.gz RWVLOHMZZCSFCY-WDEREUQCSA-N 2 0 297.407 -0.293 20 0 CBADRP C[C@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001439076958 911085834 /nfs/dbraw/zinc/08/58/34/911085834.db2.gz RWWAZEMBUDWOSL-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP CCC[N@H+](C)CC(=O)N(CC)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001439081090 911086662 /nfs/dbraw/zinc/08/66/62/911086662.db2.gz FMIWFTZOGSYXES-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP O=C(N[C@H]1C[C@H](C[NH2+]CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001506884416 921632520 /nfs/dbraw/zinc/63/25/20/921632520.db2.gz XYAYEOWWUBQKCB-MRVWCRGKSA-N 2 0 281.400 -0.195 20 0 CBADRP CC[C@@H]([NH2+]CCN(CC)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001439086865 911095994 /nfs/dbraw/zinc/09/59/94/911095994.db2.gz ZSXHWMKMXAFSCW-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439141630 911116389 /nfs/dbraw/zinc/11/63/89/911116389.db2.gz BOCLLNRCQALULN-ZJUUUORDSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@H](C[NH2+]C[C@@H]1CCc2ncnn21)NC(=O)CC[NH+](C)C ZINC001439149786 911119983 /nfs/dbraw/zinc/11/99/83/911119983.db2.gz RQKPCKHDQFCLLA-NEPJUHHUSA-N 2 0 294.403 -0.189 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001506907311 921638666 /nfs/dbraw/zinc/63/86/66/921638666.db2.gz QSTUUSGOAZCMEQ-HAQNSBGRSA-N 2 0 284.404 -0.443 20 0 CBADRP CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001506907246 921640200 /nfs/dbraw/zinc/64/02/00/921640200.db2.gz ZOUQDHYKRAKQPS-CYDGBPFRSA-N 2 0 296.415 -0.314 20 0 CBADRP NC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001439455357 911210471 /nfs/dbraw/zinc/21/04/71/911210471.db2.gz BLKDHJIFGUXATG-STQMWFEESA-N 2 0 294.399 -0.702 20 0 CBADRP CC[C@@H]([NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1)C(N)=O ZINC001439490617 911223044 /nfs/dbraw/zinc/22/30/44/911223044.db2.gz DOMXCEAKAXNSDU-CHWSQXEVSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@H]([NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1)C(N)=O ZINC001439490625 911224006 /nfs/dbraw/zinc/22/40/06/911224006.db2.gz DOMXCEAKAXNSDU-STQMWFEESA-N 2 0 296.415 -0.170 20 0 CBADRP CNC(=O)C[NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001506937583 921644632 /nfs/dbraw/zinc/64/46/32/921644632.db2.gz YFQOCWDUOABXRI-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](CCC[NH2+][C@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001506935839 921645743 /nfs/dbraw/zinc/64/57/43/921645743.db2.gz FBSGRABASTWIPB-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](CCC[NH2+][C@@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001506935842 921646663 /nfs/dbraw/zinc/64/66/63/921646663.db2.gz FBSGRABASTWIPB-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC(=O)N2CCC2)CC1 ZINC001439658817 911270122 /nfs/dbraw/zinc/27/01/22/911270122.db2.gz BSZKKCVRUSYPFO-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001439911329 911314648 /nfs/dbraw/zinc/31/46/48/911314648.db2.gz GZZJEZNZLUADKK-DOMZBBRYSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001439953837 911315792 /nfs/dbraw/zinc/31/57/92/911315792.db2.gz KPDVGQDEYJMROO-CYBMUJFWSA-N 2 0 299.415 -0.282 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001440010366 911345972 /nfs/dbraw/zinc/34/59/72/911345972.db2.gz MOLLSXVRZZBMJI-WFASDCNBSA-N 2 0 299.415 -0.738 20 0 CBADRP CN(C(=O)C[NH+]1CCCC1)[C@H](C[NH2+]CCO)C1CC1 ZINC001507038093 921655293 /nfs/dbraw/zinc/65/52/93/921655293.db2.gz ZQSAWYYPOZOPQB-CYBMUJFWSA-N 2 0 269.389 -0.099 20 0 CBADRP CO[C@@H](C)CN1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001440087458 911376986 /nfs/dbraw/zinc/37/69/86/911376986.db2.gz DSNSAVOVEKYAJH-LBPRGKRZSA-N 2 0 297.399 -0.720 20 0 CBADRP C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001440113977 911385757 /nfs/dbraw/zinc/38/57/57/911385757.db2.gz GNZGMCJYCCSFLI-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001440210377 911408081 /nfs/dbraw/zinc/40/80/81/911408081.db2.gz QRMWJERFFIHQGK-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001440350079 911431245 /nfs/dbraw/zinc/43/12/45/911431245.db2.gz OWCOQKXBGSGRBM-IJLUTSLNSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001440350269 911431894 /nfs/dbraw/zinc/43/18/94/911431894.db2.gz PEABLVKMFZDREP-JHJVBQTASA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001440374925 911441752 /nfs/dbraw/zinc/44/17/52/911441752.db2.gz LBGIJHHLJQGUML-OCCSQVGLSA-N 2 0 299.415 -0.332 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H](N2CC[NH+](CCO)CC2)C1 ZINC001440392994 911446704 /nfs/dbraw/zinc/44/67/04/911446704.db2.gz KZJMYUNWOFCOER-AWEZNQCLSA-N 2 0 298.431 -0.851 20 0 CBADRP CNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001440613020 911479975 /nfs/dbraw/zinc/47/99/75/911479975.db2.gz JHPCXVYJDZYEAK-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)CCC(=O)NC1CC(C[NH2+][C@H]2CCCNC2=O)C1 ZINC001440755181 911503523 /nfs/dbraw/zinc/50/35/23/911503523.db2.gz ACVOUCAFISJEPK-BPCQOVAHSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)CC1(C(=O)NC2CC(C[NH2+]CC(N)=O)C2)CC1 ZINC001440755278 911505661 /nfs/dbraw/zinc/50/56/61/911505661.db2.gz CTMRIPKAWPNHBA-UHFFFAOYSA-N 2 0 282.388 -0.702 20 0 CBADRP Cn1cc(C[NH2+]CC2CC(NC(=O)CC[NH+](C)C)C2)nn1 ZINC001440756321 911505944 /nfs/dbraw/zinc/50/59/44/911505944.db2.gz KTRQZYKKRWFFMN-UHFFFAOYSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001440816661 911519633 /nfs/dbraw/zinc/51/96/33/911519633.db2.gz IGLMJOZLTCHDMA-VXGBXAGGSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)[NH2+]CCO ZINC001440825072 911524294 /nfs/dbraw/zinc/52/42/94/911524294.db2.gz BQQYGMKPZUIZCE-NWDGAFQWSA-N 2 0 287.404 -0.428 20 0 CBADRP C[C@@H](C(N)=O)[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001441134068 911613464 /nfs/dbraw/zinc/61/34/64/911613464.db2.gz HJHWSIYJRVOPMT-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001441362915 911654030 /nfs/dbraw/zinc/65/40/30/911654030.db2.gz ASAIKMVOWYWEMC-BJDJZHNGSA-N 2 0 282.388 -0.704 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001441382783 911657264 /nfs/dbraw/zinc/65/72/64/911657264.db2.gz FVCSVXDUMREBCA-IJLUTSLNSA-N 2 0 296.415 -0.029 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC([N@H+](C)CC(N)=O)CC1 ZINC001441390208 911660608 /nfs/dbraw/zinc/66/06/08/911660608.db2.gz VQPZQFFPQHDBIZ-UHFFFAOYSA-N 2 0 284.404 -0.264 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C1)C(N)=O ZINC001441413727 911664963 /nfs/dbraw/zinc/66/49/63/911664963.db2.gz HBQNLNVHIOYAJU-SRVKXCTJSA-N 2 0 284.404 -0.171 20 0 CBADRP CN1CCC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001441425874 911666583 /nfs/dbraw/zinc/66/65/83/911666583.db2.gz WRKHXEXMRYZXIV-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H]1CCNC1=O ZINC001507116422 921682275 /nfs/dbraw/zinc/68/22/75/921682275.db2.gz FULVCIIFIOMGAW-NWDGAFQWSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)C1)[NH+](C)C ZINC001441527472 911699935 /nfs/dbraw/zinc/69/99/35/911699935.db2.gz WSIKZGSVDNUWHP-LOWVWBTDSA-N 2 0 294.403 -0.108 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H]1CCNC1=O ZINC001441593272 911710454 /nfs/dbraw/zinc/71/04/54/911710454.db2.gz NFPNVBFFERSFLN-GHMZBOCLSA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001441654858 911726159 /nfs/dbraw/zinc/72/61/59/911726159.db2.gz HZSQQSCZHGAWOA-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@H+](CC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCOC1)C1CCC1 ZINC001441716797 911764056 /nfs/dbraw/zinc/76/40/56/911764056.db2.gz SYBFUPHDFNLJMC-CHWSQXEVSA-N 2 0 299.415 -0.426 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001507161136 921691136 /nfs/dbraw/zinc/69/11/36/921691136.db2.gz ISOGKYNAEJVNKS-GFCCVEGCSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCO ZINC001507154454 921692067 /nfs/dbraw/zinc/69/20/67/921692067.db2.gz NUDGEGIVWSRWEJ-NWDGAFQWSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](CO)[NH2+]CC1CC1 ZINC001441795683 911813237 /nfs/dbraw/zinc/81/32/37/911813237.db2.gz OPOYGQYZPHUTKI-OCCSQVGLSA-N 2 0 299.415 -0.569 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)NC)C[C@H]1C ZINC001441857754 911834849 /nfs/dbraw/zinc/83/48/49/911834849.db2.gz GNJLPVYEQMBXSV-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)NC)C[C@H]1C ZINC001441857741 911835218 /nfs/dbraw/zinc/83/52/18/911835218.db2.gz GNJLPVYEQMBXSV-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H]1CCN(C)C1=O ZINC001442005617 911889891 /nfs/dbraw/zinc/88/98/91/911889891.db2.gz GCPTZHXFWLGBRO-RYUDHWBXSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H]1CCCNC1=O ZINC001442010969 911894478 /nfs/dbraw/zinc/89/44/78/911894478.db2.gz OXBLQOCMIYGRLC-NEPJUHHUSA-N 2 0 294.399 -0.545 20 0 CBADRP COC[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001442034047 911898053 /nfs/dbraw/zinc/89/80/53/911898053.db2.gz GKLIWJWPVDSSFE-STQMWFEESA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001442034023 911898528 /nfs/dbraw/zinc/89/85/28/911898528.db2.gz GKLIWJWPVDSSFE-CHWSQXEVSA-N 2 0 299.415 -0.474 20 0 CBADRP CC(C)CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001442051463 911909865 /nfs/dbraw/zinc/90/98/65/911909865.db2.gz NQGCHDYTTWCPAU-CHWSQXEVSA-N 2 0 298.431 -0.195 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CCO)[NH+](C)C ZINC001442089837 911927299 /nfs/dbraw/zinc/92/72/99/911927299.db2.gz GQBVSDABCXBHKC-STQMWFEESA-N 2 0 289.420 -0.684 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001442088207 911928475 /nfs/dbraw/zinc/92/84/75/911928475.db2.gz YLGSPMZEYRGSCE-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001442119938 911932867 /nfs/dbraw/zinc/93/28/67/911932867.db2.gz KMDJGSCVJKMQQE-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H]([NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC001442139442 911938972 /nfs/dbraw/zinc/93/89/72/911938972.db2.gz OZTMCROGYDJKBH-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C)C1 ZINC001442174294 911940861 /nfs/dbraw/zinc/94/08/61/911940861.db2.gz KSGRFTYIPJNBDU-MNOVXSKESA-N 2 0 284.404 -0.456 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C)[NH+](C)C ZINC001442158952 911943645 /nfs/dbraw/zinc/94/36/45/911943645.db2.gz YGHZBYRLJCMNQQ-MNOVXSKESA-N 2 0 286.420 -0.068 20 0 CBADRP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC001442923529 912129471 /nfs/dbraw/zinc/12/94/71/912129471.db2.gz VCSUAMPYYNUFOK-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001443116943 912163162 /nfs/dbraw/zinc/16/31/62/912163162.db2.gz KMPIGCXAPGDOOI-WCQYABFASA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001443221250 912168747 /nfs/dbraw/zinc/16/87/47/912168747.db2.gz QHOBLPAQWRQINO-FRRDWIJNSA-N 2 0 296.415 -0.360 20 0 CBADRP CNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001443331482 912181599 /nfs/dbraw/zinc/18/15/99/912181599.db2.gz MGEARGZUXANOLX-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001443329645 912184246 /nfs/dbraw/zinc/18/42/46/912184246.db2.gz MGEARGZUXANOLX-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)CC(N)=O)C1 ZINC001443335645 912188220 /nfs/dbraw/zinc/18/82/20/912188220.db2.gz FJJWAABEYSQQAD-CYBMUJFWSA-N 2 0 298.431 -0.016 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH+](C)CC(N)=O)CC1 ZINC001443368123 912192922 /nfs/dbraw/zinc/19/29/22/912192922.db2.gz DXUAJJVOUTUUER-UHFFFAOYSA-N 2 0 298.431 -0.016 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCF ZINC001507200140 921735056 /nfs/dbraw/zinc/73/50/56/921735056.db2.gz DQYBLYAUXDSPMN-WDEREUQCSA-N 2 0 261.341 -0.493 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001468765759 915326205 /nfs/dbraw/zinc/32/62/05/915326205.db2.gz JQFDWEVWDFTGMI-KBPBESRZSA-N 2 0 297.447 -0.032 20 0 CBADRP Cn1cnc(CCNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC001470445340 915483902 /nfs/dbraw/zinc/48/39/02/915483902.db2.gz JMXVBKJZWLKKOM-ZDUSSCGKSA-N 2 0 281.360 -0.672 20 0 CBADRP COCC[NH2+][C@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001507245018 921778875 /nfs/dbraw/zinc/77/88/75/921778875.db2.gz ZKUUGGMQIQWERA-ZDUSSCGKSA-N 2 0 287.404 -0.569 20 0 CBADRP CC[C@@H](C(=O)N1CC([NH2+][C@@H]2CCOC2)C1)[NH+](C)C ZINC001472079933 915685045 /nfs/dbraw/zinc/68/50/45/915685045.db2.gz FLZRWXJIRLGINW-PWSUYJOCSA-N 2 0 255.362 -0.084 20 0 CBADRP CO[C@@H](C)C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001507261758 921789838 /nfs/dbraw/zinc/78/98/38/921789838.db2.gz UTWIRKLJQWVGHL-RYUDHWBXSA-N 2 0 273.377 -0.816 20 0 CBADRP CCO[C@H](CNc1nc(N)[nH+]c(N)n1)C[NH+](C)C ZINC001472872019 915778325 /nfs/dbraw/zinc/77/83/25/915778325.db2.gz HPIXEHXDTNJWJJ-SSDOTTSWSA-N 2 0 255.326 -0.585 20 0 CBADRP Nc1nc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)nc(N)[nH+]1 ZINC001472896001 915782039 /nfs/dbraw/zinc/78/20/39/915782039.db2.gz PXEIRFNXNNICGM-RKDXNWHRSA-N 2 0 279.348 -0.929 20 0 CBADRP CN(C)C(=O)[C@H]1CC[N@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC001473547127 915829770 /nfs/dbraw/zinc/82/97/70/915829770.db2.gz WABGDRGVFBFKEF-WCQYABFASA-N 2 0 269.389 -0.148 20 0 CBADRP C[C@H]1CN(CCO)CC[N@@H+]1CCCN1CCOCC1 ZINC001473545381 915831712 /nfs/dbraw/zinc/83/17/12/915831712.db2.gz KMPAHVGZKRIRMP-AWEZNQCLSA-N 2 0 271.405 -0.293 20 0 CBADRP CN(C)C(=O)[C@@H]1CC[N@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC001473547126 915833891 /nfs/dbraw/zinc/83/38/91/915833891.db2.gz WABGDRGVFBFKEF-DGCLKSJQSA-N 2 0 269.389 -0.148 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001507298099 921805766 /nfs/dbraw/zinc/80/57/66/921805766.db2.gz PIDPGKPXOXRUIG-VXGBXAGGSA-N 2 0 284.404 -0.348 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)CN1C(=O)CC[NH+](C)C ZINC001507317452 921808454 /nfs/dbraw/zinc/80/84/54/921808454.db2.gz GXAAKFKMSRJAMR-DGCLKSJQSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001479272583 916106073 /nfs/dbraw/zinc/10/60/73/916106073.db2.gz WSYMGFYMMHYHDV-QWHCGFSZSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001479322595 916118731 /nfs/dbraw/zinc/11/87/31/916118731.db2.gz WBIZXHLRGAQSLO-SDDRHHMPSA-N 2 0 282.388 -0.702 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC[C@H]([NH+](CCO)CCO)C1 ZINC001479659167 916148634 /nfs/dbraw/zinc/14/86/34/916148634.db2.gz PIJPDRXEDCNROV-AWEZNQCLSA-N 2 0 299.415 -0.640 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CCO)CCO)CC1 ZINC001479750320 916157843 /nfs/dbraw/zinc/15/78/43/916157843.db2.gz CCWYBIBJSXUYCA-AWEZNQCLSA-N 2 0 299.415 -0.642 20 0 CBADRP CN1CC[C@@H]([N@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001479762697 916162111 /nfs/dbraw/zinc/16/21/11/916162111.db2.gz UYMYKDIFGWBKGL-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CN1CC[C@@H]([N@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001479762694 916163207 /nfs/dbraw/zinc/16/32/07/916163207.db2.gz UYMYKDIFGWBKGL-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@@H](C(=O)NCCC[N@H+](C)[C@H](C)C(=O)NC)[NH+](C)C ZINC001479808120 916186150 /nfs/dbraw/zinc/18/61/50/916186150.db2.gz QDSUSRUDRVUPRL-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP CN1CC[C@H]([N@H+](C)CCCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001479812698 916186275 /nfs/dbraw/zinc/18/62/75/916186275.db2.gz RAXUMERDAWGNOO-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@H](O)C[NH+]1CCN(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001479940918 916225201 /nfs/dbraw/zinc/22/52/01/916225201.db2.gz CPGCWVQTGSOOGJ-AWEZNQCLSA-N 2 0 298.431 -0.803 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]CCOCCO)C2)C1 ZINC001480120617 916290221 /nfs/dbraw/zinc/29/02/21/916290221.db2.gz OSJRWSGCVZFDRN-KBPBESRZSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001480154848 916314803 /nfs/dbraw/zinc/31/48/03/916314803.db2.gz ZXEQATOAWVVVJQ-SRVKXCTJSA-N 2 0 269.389 -0.054 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001480173336 916317331 /nfs/dbraw/zinc/31/73/31/916317331.db2.gz GANUUIKJTSZJKQ-SRVKXCTJSA-N 2 0 284.404 -0.302 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001480207809 916330834 /nfs/dbraw/zinc/33/08/34/916330834.db2.gz HCZDELSEPAGUTO-GARJFASQSA-N 2 0 282.388 -0.419 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC)C1 ZINC001480233953 916335982 /nfs/dbraw/zinc/33/59/82/916335982.db2.gz UDJQXGNULGEGRU-TXEJJXNPSA-N 2 0 284.404 -0.299 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001480231283 916337453 /nfs/dbraw/zinc/33/74/53/916337453.db2.gz DBDBJBLRZRCGFK-UTUOFQBUSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001480475816 916433150 /nfs/dbraw/zinc/43/31/50/916433150.db2.gz UNNNMIFFZRWIGB-WDEREUQCSA-N 2 0 257.378 -0.054 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]CC(=O)N(C)C ZINC001480528688 916458221 /nfs/dbraw/zinc/45/82/21/916458221.db2.gz XXZUWYZNWQOAQS-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001480566094 916479858 /nfs/dbraw/zinc/47/98/58/916479858.db2.gz QZCHGIZMSXPLHI-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H](C)C(N)=O ZINC001480591263 916488221 /nfs/dbraw/zinc/48/82/21/916488221.db2.gz FICSZBFVRZJHLL-NXEZZACHSA-N 2 0 256.350 -0.950 20 0 CBADRP COCC[NH2+][C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001480624326 916499168 /nfs/dbraw/zinc/49/91/68/916499168.db2.gz JETYXDKLPATNRP-KGLIPLIRSA-N 2 0 299.415 -0.208 20 0 CBADRP C[N@H+](CC(=O)N1CC[C@@H](C[NH2+]CCO)C1)C1CCC1 ZINC001480647243 916510726 /nfs/dbraw/zinc/51/07/26/916510726.db2.gz BOCRLPPINWCWEW-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(N)=O)[NH+](C)C ZINC001480793028 916539987 /nfs/dbraw/zinc/53/99/87/916539987.db2.gz WKOSHEYFKNQZBG-UWVGGRQHSA-N 2 0 258.366 -0.704 20 0 CBADRP CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001481055577 916699297 /nfs/dbraw/zinc/69/92/97/916699297.db2.gz IUGNGMOCEOGSJU-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]([C@@H](C)C(=O)NC)C1 ZINC001481120430 916723600 /nfs/dbraw/zinc/72/36/00/916723600.db2.gz DFWFBPUUXOOFBD-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CN(CC[NH2+]CCOCCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001481247544 916784294 /nfs/dbraw/zinc/78/42/94/916784294.db2.gz SNIPQZIZMOFFBY-ZDUSSCGKSA-N 2 0 287.404 -0.472 20 0 CBADRP COC[C@@H](O)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001481247011 916784652 /nfs/dbraw/zinc/78/46/52/916784652.db2.gz FJVFJVRDUOWLEU-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481314242 916813357 /nfs/dbraw/zinc/81/33/57/916813357.db2.gz BWSSQLSJABGERV-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP CN(CC[NH2+]CCN1CCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481315421 916814282 /nfs/dbraw/zinc/81/42/82/916814282.db2.gz ZROFOTVBWWLBLJ-GFCCVEGCSA-N 2 0 297.403 -0.989 20 0 CBADRP CN(CC[NH2+]CCc1cnn(C)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481314969 916816114 /nfs/dbraw/zinc/81/61/14/916816114.db2.gz OSMPWQZVQROWEH-AWEZNQCLSA-N 2 0 293.415 -0.038 20 0 CBADRP CN(CC[NH2+]CCN1CCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481315422 916817357 /nfs/dbraw/zinc/81/73/57/916817357.db2.gz ZROFOTVBWWLBLJ-LBPRGKRZSA-N 2 0 297.403 -0.989 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CC(N)=O)C1 ZINC001481505501 916852382 /nfs/dbraw/zinc/85/23/82/916852382.db2.gz SLNKHRIRFVOROC-LBPRGKRZSA-N 2 0 284.404 -0.406 20 0 CBADRP CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(=O)NC ZINC001481820308 916993547 /nfs/dbraw/zinc/99/35/47/916993547.db2.gz MDDZTSSSHFYIJT-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001481849792 917002320 /nfs/dbraw/zinc/00/23/20/917002320.db2.gz FYSQFBKLDGORBQ-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001481849793 917002428 /nfs/dbraw/zinc/00/24/28/917002428.db2.gz FYSQFBKLDGORBQ-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)NC ZINC001481848753 917004303 /nfs/dbraw/zinc/00/43/03/917004303.db2.gz FBNQLMVYFPCBSM-SNVBAGLBSA-N 2 0 258.366 -0.832 20 0 CBADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N(C)C ZINC001481877504 917013319 /nfs/dbraw/zinc/01/33/19/917013319.db2.gz DJHJZXLMNUGMFX-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)CC ZINC001481874168 917013722 /nfs/dbraw/zinc/01/37/22/917013722.db2.gz FFLBWMOIZVXXJY-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP NC(=O)C[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001481910469 917021496 /nfs/dbraw/zinc/02/14/96/917021496.db2.gz NYEUENPFNJHVKI-UHFFFAOYSA-N 2 0 294.399 -0.414 20 0 CBADRP C[C@](C[NH2+]CC(N)=O)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001481948043 917024116 /nfs/dbraw/zinc/02/41/16/917024116.db2.gz YVPLNCXRAMXSDL-CQSZACIVSA-N 2 0 294.399 -0.558 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)CCC1 ZINC001482016972 917031974 /nfs/dbraw/zinc/03/19/74/917031974.db2.gz QOBSZDAWMWJYNW-HAQNSBGRSA-N 2 0 296.415 -0.027 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001482025374 917033275 /nfs/dbraw/zinc/03/32/75/917033275.db2.gz HVWOSHXACOJDPM-JOCQHMNTSA-N 2 0 296.415 -0.155 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482063212 917036741 /nfs/dbraw/zinc/03/67/41/917036741.db2.gz ZCOMOKKIYVUKHC-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CCO ZINC001482101065 917051951 /nfs/dbraw/zinc/05/19/51/917051951.db2.gz ALWHSDJXKCDEOO-QJPTWQEYSA-N 2 0 257.378 -0.339 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001482113781 917058977 /nfs/dbraw/zinc/05/89/77/917058977.db2.gz SFTSOUMJDLKNPP-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CCCO ZINC001482160581 917071253 /nfs/dbraw/zinc/07/12/53/917071253.db2.gz HSYVQAXZVHXGRE-LBPRGKRZSA-N 2 0 269.389 -0.194 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001482167043 917071376 /nfs/dbraw/zinc/07/13/76/917071376.db2.gz ADFDAXPWEAEBOD-NWDGAFQWSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ncnn1C ZINC001482168325 917071968 /nfs/dbraw/zinc/07/19/68/917071968.db2.gz MSAIRJKYOKBSIX-VXGBXAGGSA-N 2 0 294.403 -0.391 20 0 CBADRP CCN1CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)C1=O ZINC001482325831 917127949 /nfs/dbraw/zinc/12/79/49/917127949.db2.gz MSFMMJMECCRULY-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482329334 917129212 /nfs/dbraw/zinc/12/92/12/917129212.db2.gz AKHAJUKBKRHXDJ-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482329335 917130571 /nfs/dbraw/zinc/13/05/71/917130571.db2.gz AKHAJUKBKRHXDJ-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001482479756 917150359 /nfs/dbraw/zinc/15/03/59/917150359.db2.gz DJYAYJOINPAMSB-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1C[NH2+]CC(N)=O ZINC001482498518 917151569 /nfs/dbraw/zinc/15/15/69/917151569.db2.gz AQXLDIHXYCAIOW-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@H+](CC(=O)NC[C@H](O)C[NH2+]CCF)C1CCC1 ZINC001482737300 917243964 /nfs/dbraw/zinc/24/39/64/917243964.db2.gz JQHMIWPGRQMYTA-LLVKDONJSA-N 2 0 261.341 -0.493 20 0 CBADRP CCCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001482757763 917254056 /nfs/dbraw/zinc/25/40/56/917254056.db2.gz QIPVBGCEKDVNFL-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP Cc1noc(C)c1C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C ZINC001482763995 917264944 /nfs/dbraw/zinc/26/49/44/917264944.db2.gz HQVQKJVKVUZXRF-LBPRGKRZSA-N 2 0 298.387 -0.190 20 0 CBADRP CC(C)[NH2+]C[C@H](O)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001482792174 917285587 /nfs/dbraw/zinc/28/55/87/917285587.db2.gz GLFWPFYEESZJRG-OLZOCXBDSA-N 2 0 287.404 -0.570 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1cncn1C ZINC001482799607 917292937 /nfs/dbraw/zinc/29/29/37/917292937.db2.gz QXHLYPFMFMANRT-ZDUSSCGKSA-N 2 0 297.403 -0.673 20 0 CBADRP C[C@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001482840655 917308332 /nfs/dbraw/zinc/30/83/32/917308332.db2.gz YFXWPOQAJOTZKW-DGCLKSJQSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](CC[NH2+]CCO)NC(=O)C12CC[NH+](CC1)C2 ZINC001482892144 917323915 /nfs/dbraw/zinc/32/39/15/917323915.db2.gz QLLRLNBVRLFDCY-LLVKDONJSA-N 2 0 255.362 -0.441 20 0 CBADRP C[C@@H](CC[NH2+]CCO)NC(=O)C12CC[NH+](CC1)C2 ZINC001482892145 917325953 /nfs/dbraw/zinc/32/59/53/917325953.db2.gz QLLRLNBVRLFDCY-NSHDSACASA-N 2 0 255.362 -0.441 20 0 CBADRP CCN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482925578 917338324 /nfs/dbraw/zinc/33/83/24/917338324.db2.gz SCMVNULVASVLQW-GFCCVEGCSA-N 2 0 282.388 -0.748 20 0 CBADRP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001482946047 917347669 /nfs/dbraw/zinc/34/76/69/917347669.db2.gz DDONYZJGMFKUFZ-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+][C@H]2CCNC2=O)CC[N@@H+]1C ZINC001483008202 917371945 /nfs/dbraw/zinc/37/19/45/917371945.db2.gz HUEHQWBGDZRGNW-FWIQHPNGSA-N 2 0 294.399 -0.523 20 0 CBADRP CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001483044819 917385943 /nfs/dbraw/zinc/38/59/43/917385943.db2.gz RZTFBFGPMARSHC-QMAVJUDZSA-N 2 0 282.388 -0.521 20 0 CBADRP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+][C@H]2CCNC2=O)CC1 ZINC001483053817 917390398 /nfs/dbraw/zinc/39/03/98/917390398.db2.gz HSBACCQSSBLBKW-IBUXWKBASA-N 2 0 294.399 -0.521 20 0 CBADRP C[C@H](O)C[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001483053552 917393227 /nfs/dbraw/zinc/39/32/27/917393227.db2.gz FOHRJNSPYXACKQ-PCAWENJQSA-N 2 0 269.389 -0.029 20 0 CBADRP COC[C@@H](O)C[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001483083913 917403269 /nfs/dbraw/zinc/40/32/69/917403269.db2.gz SMWPXKHEKCWPJW-IBUXWKBASA-N 2 0 297.399 -0.649 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001483083622 917404430 /nfs/dbraw/zinc/40/44/30/917404430.db2.gz NBGLSTFKTVMHCI-VSQXVHSFSA-N 2 0 294.399 -0.521 20 0 CBADRP CN(C)C(=O)C[NH2+]C/C=C\CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483082726 917405701 /nfs/dbraw/zinc/40/57/01/917405701.db2.gz VQOMZEPWNFWMDM-ZFDPJTLLSA-N 2 0 296.415 -0.322 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC ZINC001483099329 917407896 /nfs/dbraw/zinc/40/78/96/917407896.db2.gz XLTMHGDLHQXDIS-GFUIURDCSA-N 2 0 296.415 -0.131 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001483175538 917448728 /nfs/dbraw/zinc/44/87/28/917448728.db2.gz AVGCNYGRHIGHKX-LLVKDONJSA-N 2 0 292.383 -0.059 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001483182311 917453282 /nfs/dbraw/zinc/45/32/82/917453282.db2.gz TUDYRLOTCQQDSW-GHMZBOCLSA-N 2 0 298.387 -0.772 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483185002 917455699 /nfs/dbraw/zinc/45/56/99/917455699.db2.gz ZZYBDNNGFBNFHK-NEPJUHHUSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001483184583 917457824 /nfs/dbraw/zinc/45/78/24/917457824.db2.gz RDOZKUVWJKGJKG-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483214586 917470709 /nfs/dbraw/zinc/47/07/09/917470709.db2.gz OFNWBZAMBSWSIC-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001483234745 917486399 /nfs/dbraw/zinc/48/63/99/917486399.db2.gz XPXGLNOFUWKHIK-RYUDHWBXSA-N 2 0 287.404 -0.428 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC)[NH+](C)C ZINC001483240448 917486837 /nfs/dbraw/zinc/48/68/37/917486837.db2.gz OXRLRQNHLVTZSA-VHSXEESVSA-N 2 0 258.366 -0.833 20 0 CBADRP C[C@@H](C[NH2+]CCn1cncn1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483257675 917496364 /nfs/dbraw/zinc/49/63/64/917496364.db2.gz JENKGEVAQIKMEZ-STQMWFEESA-N 2 0 294.403 -0.143 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(=O)NC1CC1)NC(=O)CC[NH+](C)C ZINC001483263805 917501343 /nfs/dbraw/zinc/50/13/43/917501343.db2.gz LAHLMNKXICCVCS-QWRGUYRKSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)NC(=O)CC[NH+](C)C ZINC001483261838 917501688 /nfs/dbraw/zinc/50/16/88/917501688.db2.gz OZAXZXJESSFCBW-NSHDSACASA-N 2 0 286.420 -0.053 20 0 CBADRP CN(CCC[NH2+]Cc1cnnn1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001483455798 917567978 /nfs/dbraw/zinc/56/79/78/917567978.db2.gz DLDIBQNWNSSBBQ-CYBMUJFWSA-N 2 0 294.403 -0.153 20 0 CBADRP CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001483471346 917573115 /nfs/dbraw/zinc/57/31/15/917573115.db2.gz YOAUAGSXGDFPCM-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)CCC[NH2+][C@H]1CCN(C)C1=O ZINC001483502003 917583051 /nfs/dbraw/zinc/58/30/51/917583051.db2.gz NBCKXSOMWVHRKX-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001483721335 917655130 /nfs/dbraw/zinc/65/51/30/917655130.db2.gz ABJSLQUSVPAZMI-JTQLQIEISA-N 2 0 268.361 -0.935 20 0 CBADRP CCN(C)C(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001483722094 917658127 /nfs/dbraw/zinc/65/81/27/917658127.db2.gz QENXJNSPKIWKJN-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001483759955 917672895 /nfs/dbraw/zinc/67/28/95/917672895.db2.gz RTRGMKVFQRIFTA-RYUDHWBXSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC2([NH2+][C@H]3CCNC3=O)CC2)CC1 ZINC001483762978 917673990 /nfs/dbraw/zinc/67/39/90/917673990.db2.gz RGOOFDLHNAYKHO-NSHDSACASA-N 2 0 294.399 -0.545 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001483940909 917708178 /nfs/dbraw/zinc/70/81/78/917708178.db2.gz ILLBWCCFDGXLLG-GHMZBOCLSA-N 2 0 268.361 -0.854 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2C[NH2+]CCO)C1 ZINC001483951658 917712208 /nfs/dbraw/zinc/71/22/08/917712208.db2.gz CHHPYYLEWDNDQS-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP COCC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001484235516 917781038 /nfs/dbraw/zinc/78/10/38/917781038.db2.gz JSGCGLLHLHHLLU-HIFRSBDPSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C[NH2+]CCO ZINC001484380515 917834974 /nfs/dbraw/zinc/83/49/74/917834974.db2.gz JCABGUHXURDZID-STQMWFEESA-N 2 0 281.400 -0.241 20 0 CBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C[NH2+]CC(N)=O ZINC001484375204 917835422 /nfs/dbraw/zinc/83/54/22/917835422.db2.gz IAXQHUYVIZIRDQ-NEPJUHHUSA-N 2 0 284.404 -0.502 20 0 CBADRP CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484536208 917883492 /nfs/dbraw/zinc/88/34/92/917883492.db2.gz OKSCIJLVMUOVSD-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](CC[NH2+]CCO)C2)C1 ZINC001484549493 917884828 /nfs/dbraw/zinc/88/48/28/917884828.db2.gz JDEOTEMDWJWHRB-QWHCGFSZSA-N 2 0 269.389 -0.241 20 0 CBADRP C[NH+](C)C1(C(=O)NCC2([NH2+]CC(N)=O)CCC2)CCC1 ZINC001484637539 917902534 /nfs/dbraw/zinc/90/25/34/917902534.db2.gz HTMOGYIOARNYKX-UHFFFAOYSA-N 2 0 282.388 -0.416 20 0 CBADRP COCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001484700810 917925795 /nfs/dbraw/zinc/92/57/95/917925795.db2.gz SZAYOZSBIPFRFC-CYBMUJFWSA-N 2 0 287.404 -0.210 20 0 CBADRP CO[C@@H](C)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001484698988 917926357 /nfs/dbraw/zinc/92/63/57/917926357.db2.gz JWIYWQKXELYTHB-KBPBESRZSA-N 2 0 299.415 -0.066 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H](C[NH2+]CCO)C2)C1 ZINC001484693531 917926582 /nfs/dbraw/zinc/92/65/82/917926582.db2.gz VKKIGGRLAMGWHU-CHWSQXEVSA-N 2 0 285.388 -0.863 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001484693533 917926674 /nfs/dbraw/zinc/92/66/74/917926674.db2.gz VKKIGGRLAMGWHU-OLZOCXBDSA-N 2 0 285.388 -0.863 20 0 CBADRP COCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001484700811 917927821 /nfs/dbraw/zinc/92/78/21/917927821.db2.gz SZAYOZSBIPFRFC-ZDUSSCGKSA-N 2 0 287.404 -0.210 20 0 CBADRP CN(CCC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001484736546 917929532 /nfs/dbraw/zinc/92/95/32/917929532.db2.gz NDBMJTCHEYCSPJ-NSHDSACASA-N 2 0 270.377 -0.654 20 0 CBADRP CN(CCC[N@H+](C)CC(N)=O)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001484765660 917935992 /nfs/dbraw/zinc/93/59/92/917935992.db2.gz MTWKWBJFVQEWDP-LBPRGKRZSA-N 2 0 284.404 -0.406 20 0 CBADRP CNC(=O)C[N@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001484765371 917936607 /nfs/dbraw/zinc/93/66/07/917936607.db2.gz CUCUNLJPUPHRMN-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP COCC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001484872252 917955839 /nfs/dbraw/zinc/95/58/39/917955839.db2.gz XCLITIWZPRIQTC-UHFFFAOYSA-N 2 0 299.415 -0.016 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(O)(C[NH2+]CCCO)CC2)C1 ZINC001484964539 917973612 /nfs/dbraw/zinc/97/36/12/917973612.db2.gz NIEKRDMZHYXYBZ-ZDUSSCGKSA-N 2 0 299.415 -0.736 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001484996912 917978855 /nfs/dbraw/zinc/97/88/55/917978855.db2.gz DCVWTZTZSPHXGS-QJPTWQEYSA-N 2 0 257.378 -0.054 20 0 CBADRP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCO ZINC001485001402 917982204 /nfs/dbraw/zinc/98/22/04/917982204.db2.gz HVIVDFUOMPCMHA-NSHDSACASA-N 2 0 255.362 -0.441 20 0 CBADRP CCN(C)C(=O)C[NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001485100457 917995671 /nfs/dbraw/zinc/99/56/71/917995671.db2.gz BNKAIDOGHWPCHE-UHFFFAOYSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001485188780 918022137 /nfs/dbraw/zinc/02/21/37/918022137.db2.gz JHTSGNHVVKMGSU-QWRGUYRKSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001485215233 918029818 /nfs/dbraw/zinc/02/98/18/918029818.db2.gz LUTNTDHJXRZACF-NWDGAFQWSA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(N)=O ZINC001485229849 918033400 /nfs/dbraw/zinc/03/34/00/918033400.db2.gz MWKGJBRIZZLVLC-ZJUUUORDSA-N 2 0 258.366 -0.705 20 0 CBADRP CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)C[NH+]1CCCC1 ZINC001485264981 918035893 /nfs/dbraw/zinc/03/58/93/918035893.db2.gz NQYSFTCJVJWJTB-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001485373130 918098988 /nfs/dbraw/zinc/09/89/88/918098988.db2.gz KQWNGRUZJNUYSO-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CCO ZINC001485376842 918099400 /nfs/dbraw/zinc/09/94/00/918099400.db2.gz KHPMBGNEYBSYLF-LLVKDONJSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCO)C1 ZINC001485531760 918140132 /nfs/dbraw/zinc/14/01/32/918140132.db2.gz BMRAWAFFISUXBB-NEPJUHHUSA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@H]([NH2+]CCO)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001485648120 918165113 /nfs/dbraw/zinc/16/51/13/918165113.db2.gz XICNGGPQJUJZOA-QWHCGFSZSA-N 2 0 297.399 -0.720 20 0 CBADRP C[C@@H](O)C[N@H+](C)CCOCCNC(=O)[C@H]1CCC[NH+]1C ZINC001485774178 918187004 /nfs/dbraw/zinc/18/70/04/918187004.db2.gz HCNDQMNMANCUER-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001485823221 918194166 /nfs/dbraw/zinc/19/41/66/918194166.db2.gz QITLTRVAWFFIJK-GFCCVEGCSA-N 2 0 284.404 -0.489 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001485856914 918212200 /nfs/dbraw/zinc/21/22/00/918212200.db2.gz WAPVMJZQGKZGFW-GHMZBOCLSA-N 2 0 270.377 -0.737 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001485856917 918212699 /nfs/dbraw/zinc/21/26/99/918212699.db2.gz WAPVMJZQGKZGFW-MNOVXSKESA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC(=O)NC1CC1 ZINC001485919066 918229194 /nfs/dbraw/zinc/22/91/94/918229194.db2.gz JMKMAWAUQYLBJK-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001485947072 918239664 /nfs/dbraw/zinc/23/96/64/918239664.db2.gz LRTZCDMBLQQEKR-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CCn1cncn1 ZINC001485955655 918241600 /nfs/dbraw/zinc/24/16/00/918241600.db2.gz OPECBRHDFDKNNI-CYBMUJFWSA-N 2 0 294.403 -0.190 20 0 CBADRP CO[C@H](C)C[NH2+][C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001486002364 918294882 /nfs/dbraw/zinc/29/48/82/918294882.db2.gz QHOKZSQBTMQAND-VXGBXAGGSA-N 2 0 287.404 -0.428 20 0 CBADRP COC[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001486002529 918297345 /nfs/dbraw/zinc/29/73/45/918297345.db2.gz RZDARDXRPOYHKZ-VXGBXAGGSA-N 2 0 287.404 -0.428 20 0 CBADRP CC[NH2+][C@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001486022342 918314525 /nfs/dbraw/zinc/31/45/25/918314525.db2.gz AOJOBQUSOHPHRF-NSHDSACASA-N 2 0 257.378 -0.053 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCCF ZINC001486028332 918323200 /nfs/dbraw/zinc/32/32/00/918323200.db2.gz RXUNIVHWCLELQM-RYUDHWBXSA-N 2 0 275.368 -0.103 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCCF ZINC001486028331 918324381 /nfs/dbraw/zinc/32/43/81/918324381.db2.gz RXUNIVHWCLELQM-NEPJUHHUSA-N 2 0 275.368 -0.103 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC1CC1)[NH+](C)C ZINC001486052259 918344939 /nfs/dbraw/zinc/34/49/39/918344939.db2.gz DHANCVGUZCPLEG-NEPJUHHUSA-N 2 0 257.378 -0.197 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCO)C[C@H]1C ZINC001486131142 918371667 /nfs/dbraw/zinc/37/16/67/918371667.db2.gz UOSLIBGBTMZZBD-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001486298080 918414186 /nfs/dbraw/zinc/41/41/86/918414186.db2.gz KJCQQKIALXXJSP-GFCCVEGCSA-N 2 0 257.378 -0.243 20 0 CBADRP Cc1cc(C[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C)on1 ZINC001486297889 918415294 /nfs/dbraw/zinc/41/52/94/918415294.db2.gz IYHJJHPNSJGYBM-LBPRGKRZSA-N 2 0 298.387 -0.156 20 0 CBADRP CN(C[C@H](O)C[NH2+]CCO)C(=O)CC[NH+]1CCCCC1 ZINC001486317426 918423123 /nfs/dbraw/zinc/42/31/23/918423123.db2.gz ILIMBOUAPIHICC-CYBMUJFWSA-N 2 0 287.404 -0.736 20 0 CBADRP CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001486316373 918423244 /nfs/dbraw/zinc/42/32/44/918423244.db2.gz AFDXZRKWQWEXJS-OLZOCXBDSA-N 2 0 287.404 -0.617 20 0 CBADRP CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001486316374 918423486 /nfs/dbraw/zinc/42/34/86/918423486.db2.gz AFDXZRKWQWEXJS-QWHCGFSZSA-N 2 0 287.404 -0.617 20 0 CBADRP CN(C(=O)CC[NH+]1CCCCC1)C1CC([NH2+]CC(N)=O)C1 ZINC001486483156 918470771 /nfs/dbraw/zinc/47/07/71/918470771.db2.gz DCEDZHDIZUHWNI-UHFFFAOYSA-N 2 0 296.415 -0.073 20 0 CBADRP CNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651673 918744944 /nfs/dbraw/zinc/74/49/44/918744944.db2.gz AXHVDLBNFGQFQI-NWDGAFQWSA-N 2 0 284.404 -0.395 20 0 CBADRP C[C@@H](C(N)=O)N1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651641 918746247 /nfs/dbraw/zinc/74/62/47/918746247.db2.gz ARVATMCFFXAGQW-QWRGUYRKSA-N 2 0 270.377 -0.655 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001488803446 918769044 /nfs/dbraw/zinc/76/90/44/918769044.db2.gz FRUKKKRCINVGMT-RWMBFGLXSA-N 2 0 298.431 -0.055 20 0 CBADRP C[N@H+](CC(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1)C1CCC1 ZINC001488831211 918773027 /nfs/dbraw/zinc/77/30/27/918773027.db2.gz KNNGZLPWWZVBJK-HAQNSBGRSA-N 2 0 269.389 -0.053 20 0 CBADRP CCNC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001490197174 918864850 /nfs/dbraw/zinc/86/48/50/918864850.db2.gz UHDBEWDWHMWCJR-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CCNC1=O ZINC001490214277 918871886 /nfs/dbraw/zinc/87/18/86/918871886.db2.gz QWSPSRNVZOBPSH-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H](C)C(=O)NC ZINC001490358242 918896457 /nfs/dbraw/zinc/89/64/57/918896457.db2.gz WXCWTSSOKDJBHL-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC(N)=O)C1CC1 ZINC001490368020 918899425 /nfs/dbraw/zinc/89/94/25/918899425.db2.gz VOEFMPBLYLNGHT-LBPRGKRZSA-N 2 0 282.388 -0.463 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH+](CC(N)=O)C2CC2)C1 ZINC001490394488 918901383 /nfs/dbraw/zinc/90/13/83/918901383.db2.gz WNOSJONXADYIOH-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]CCCO)C2)CC1 ZINC001490923590 918993896 /nfs/dbraw/zinc/99/38/96/918993896.db2.gz PTZACHFFGIMWFC-HAQNSBGRSA-N 2 0 269.389 -0.053 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001490924858 918994377 /nfs/dbraw/zinc/99/43/77/918994377.db2.gz QLKPFMLIDUEGNK-XYPYZODXSA-N 2 0 270.377 -0.689 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C1 ZINC001490941854 918995114 /nfs/dbraw/zinc/99/51/14/918995114.db2.gz UJVSJELWIAEAFS-XYPYZODXSA-N 2 0 270.377 -0.689 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCNC(=O)C[NH+]1CCCC1 ZINC001491320299 919112771 /nfs/dbraw/zinc/11/27/71/919112771.db2.gz ZTNYOJDVVNIGAR-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCO ZINC001491455454 919169078 /nfs/dbraw/zinc/16/90/78/919169078.db2.gz RFMWAFYJIMSUIB-VXGBXAGGSA-N 2 0 257.378 -0.054 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001491456602 919169609 /nfs/dbraw/zinc/16/96/09/919169609.db2.gz IDNKMRAPKAQFTE-QJPTWQEYSA-N 2 0 284.404 -0.443 20 0 CBADRP CC[C@@H]([NH2+][C@H](C)CNC(=O)CC[NH+](C)C)C(N)=O ZINC001491568114 919207690 /nfs/dbraw/zinc/20/76/90/919207690.db2.gz JKEPELDXHIGRLS-NXEZZACHSA-N 2 0 258.366 -0.704 20 0 CBADRP CC[C@H]([NH2+][C@H](C)CNC(=O)CC[NH+](C)C)C(N)=O ZINC001491568134 919208732 /nfs/dbraw/zinc/20/87/32/919208732.db2.gz JKEPELDXHIGRLS-ZJUUUORDSA-N 2 0 258.366 -0.704 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001491651456 919243545 /nfs/dbraw/zinc/24/35/45/919243545.db2.gz XBCCBWSKCATBIH-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP C[NH+](C)CCC(=O)NCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001491710836 919259661 /nfs/dbraw/zinc/25/96/61/919259661.db2.gz CVLFMXAZXXAIFA-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP C[NH+]1CCC(OCC(=O)N2CC[C@@H](C[NH2+]CCO)C2)CC1 ZINC001491842587 919288878 /nfs/dbraw/zinc/28/88/78/919288878.db2.gz OFNHJJCTDJLGEI-ZDUSSCGKSA-N 2 0 299.415 -0.472 20 0 CBADRP CC[C@@H]([NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001491855842 919290792 /nfs/dbraw/zinc/29/07/92/919290792.db2.gz IIKFHBXMTMATPX-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001491849115 919291454 /nfs/dbraw/zinc/29/14/54/919291454.db2.gz DKRSMINBQSECIW-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CN(C(=O)CC[NH+](C)C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001492012313 919314041 /nfs/dbraw/zinc/31/40/41/919314041.db2.gz ACVGRZWHJRXNCP-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](O)C[N@H+](C)CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001492450474 919418864 /nfs/dbraw/zinc/41/88/64/919418864.db2.gz SBAXJUWEEKWJPY-LBPRGKRZSA-N 2 0 297.403 -0.513 20 0 CBADRP CC[C@H](C(N)=O)N(C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001492819673 919433776 /nfs/dbraw/zinc/43/37/76/919433776.db2.gz WQOJLYYFXUISTM-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001493254701 919512028 /nfs/dbraw/zinc/51/20/28/919512028.db2.gz JFCWZHXKPIZVIG-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001493549065 919578045 /nfs/dbraw/zinc/57/80/45/919578045.db2.gz CKLSUCXHPQMHQI-ZYHUDNBSSA-N 2 0 282.388 -0.750 20 0 CBADRP CN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001493574636 919580855 /nfs/dbraw/zinc/58/08/55/919580855.db2.gz KLEFZQZTDIBWFV-ZDUSSCGKSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)C(=O)N(C)C ZINC001493600751 919590899 /nfs/dbraw/zinc/59/08/99/919590899.db2.gz RHTYUXHCMGUGJZ-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001493762107 919615777 /nfs/dbraw/zinc/61/57/77/919615777.db2.gz QAUYOPVAFSRHIB-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP CN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001493761425 919615910 /nfs/dbraw/zinc/61/59/10/919615910.db2.gz KCEAJLFGIJGTFL-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1cnnn1C ZINC001493752656 919616363 /nfs/dbraw/zinc/61/63/63/919616363.db2.gz JBHFQBUTAKRKPO-UHFFFAOYSA-N 2 0 282.392 -0.295 20 0 CBADRP CN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001493761428 919616553 /nfs/dbraw/zinc/61/65/53/919616553.db2.gz KCEAJLFGIJGTFL-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CC1CC[NH+](CC(=O)N(C)CC[NH2+]CC(=O)N(C)C)CC1 ZINC001493743195 919617933 /nfs/dbraw/zinc/61/79/33/919617933.db2.gz XVGLWMMEFNDCKN-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001493769783 919620620 /nfs/dbraw/zinc/62/06/20/919620620.db2.gz RNBPXBQSXLKHRC-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)C(=O)N(C)C ZINC001493807237 919624817 /nfs/dbraw/zinc/62/48/17/919624817.db2.gz XYBCFCUPVKONDB-GFCCVEGCSA-N 2 0 286.420 -0.149 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC2CN(CCOCCO)C2)CC[N@@H+]1C ZINC001494387586 919693938 /nfs/dbraw/zinc/69/39/38/919693938.db2.gz OYOSWPFEFKVOHI-DGCLKSJQSA-N 2 0 285.388 -0.864 20 0 CBADRP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CCCO)C1 ZINC001494848331 919802806 /nfs/dbraw/zinc/80/28/06/919802806.db2.gz QLWLGOUEIODAJH-LBPRGKRZSA-N 2 0 257.378 -0.147 20 0 CBADRP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCO ZINC001495037784 919847042 /nfs/dbraw/zinc/84/70/42/919847042.db2.gz KRQGUPJZJDWHSS-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCO ZINC001495094157 919859376 /nfs/dbraw/zinc/85/93/76/919859376.db2.gz MBPHVZMOGJWNMV-NSHDSACASA-N 2 0 255.362 -0.441 20 0 CBADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H](C)C(=O)NC ZINC001495107623 919864783 /nfs/dbraw/zinc/86/47/83/919864783.db2.gz IXOUVBDCNMFLFQ-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001495301406 919885546 /nfs/dbraw/zinc/88/55/46/919885546.db2.gz UHCSOQFEANHTKC-YGRLFVJLSA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]CC(=O)N1CCC1 ZINC001495730711 919934597 /nfs/dbraw/zinc/93/45/97/919934597.db2.gz MNXQYDJVHSFPLA-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)N1CCC1 ZINC001495809734 919948408 /nfs/dbraw/zinc/94/84/08/919948408.db2.gz TVJMWNLOKWQROC-CHWSQXEVSA-N 2 0 296.415 -0.488 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH]cn1 ZINC001496084877 920023157 /nfs/dbraw/zinc/02/31/57/920023157.db2.gz YOFCFCIXACAYTD-QWRGUYRKSA-N 2 0 295.387 -0.087 20 0 CBADRP C[C@H](C[NH2+]CCO)N(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001496185587 920040388 /nfs/dbraw/zinc/04/03/88/920040388.db2.gz VWFMLAOPCBSWOW-GFCCVEGCSA-N 2 0 297.403 -0.513 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496230432 920046844 /nfs/dbraw/zinc/04/68/44/920046844.db2.gz WLJQZFHJRKZSSH-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001496230044 920049156 /nfs/dbraw/zinc/04/91/56/920049156.db2.gz PFTGMFKNWSZZIW-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCO ZINC001496362521 920061895 /nfs/dbraw/zinc/06/18/95/920061895.db2.gz YPWSFKRSNMPOPA-NWDGAFQWSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC(=O)N(C)C ZINC001496364487 920062146 /nfs/dbraw/zinc/06/21/46/920062146.db2.gz SHJBIPZPRYEIQM-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP CC(C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCO ZINC001496629101 920099119 /nfs/dbraw/zinc/09/91/19/920099119.db2.gz PYUPHFCYGCJQFG-GFCCVEGCSA-N 2 0 269.389 -0.195 20 0 CBADRP CO[C@H](C)C[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001497007850 920205277 /nfs/dbraw/zinc/20/52/77/920205277.db2.gz BCFNPXBCKGLSSY-CHWSQXEVSA-N 2 0 299.415 -0.284 20 0 CBADRP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]CC(N)=O)[NH+](C)C ZINC001497265401 920278017 /nfs/dbraw/zinc/27/80/17/920278017.db2.gz VOJSTRNLGPKVNE-CMPLNLGQSA-N 2 0 272.393 -0.458 20 0 CBADRP C[C@H](CC[NH2+]CCO)NC(=O)C1(C[NH+](C)C)CC1 ZINC001497257125 920278693 /nfs/dbraw/zinc/27/86/93/920278693.db2.gz SKWDEAODXZEOMZ-LLVKDONJSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@H](CC[NH2+]CCO)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001497324516 920286050 /nfs/dbraw/zinc/28/60/50/920286050.db2.gz VCXWRZBMPVMONX-CHWSQXEVSA-N 2 0 287.404 -0.569 20 0 CBADRP CCN(CC[NH2+]CCCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001497361332 920295997 /nfs/dbraw/zinc/29/59/97/920295997.db2.gz CMUMOIXIHUYMLD-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP CCN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001497417365 920304839 /nfs/dbraw/zinc/30/48/39/920304839.db2.gz IJCJUWWRYDMDKF-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001497434233 920307252 /nfs/dbraw/zinc/30/72/52/920307252.db2.gz IGEHNLIHOIAZOL-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497484137 920309345 /nfs/dbraw/zinc/30/93/45/920309345.db2.gz HKSDNLRWFUZONW-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497495398 920312199 /nfs/dbraw/zinc/31/21/99/920312199.db2.gz GTQKMGUFWNJHOB-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497484034 920313084 /nfs/dbraw/zinc/31/30/84/920313084.db2.gz HKSDNLRWFUZONW-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001497651654 920362666 /nfs/dbraw/zinc/36/26/66/920362666.db2.gz XRILXXVNWKLTCD-RUULKOMLSA-N 2 0 282.388 -0.523 20 0 CBADRP C[NH+](C)CCC(=O)NC/C=C/C[NH2+][C@H]1CCCNC1=O ZINC001497676471 920366322 /nfs/dbraw/zinc/36/63/22/920366322.db2.gz YZIINZJMYOOTFS-PCAWENJQSA-N 2 0 282.388 -0.521 20 0 CBADRP CC(C)CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001497797858 920388029 /nfs/dbraw/zinc/38/80/29/920388029.db2.gz LUWAFASPOVEAKF-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001497829450 920404013 /nfs/dbraw/zinc/40/40/13/920404013.db2.gz NGYAMTDDOYZFBU-DGCLKSJQSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](C[NH2+]CCn1cncn1)NC(=O)C[N@H+](C)C1CCC1 ZINC001497830243 920404728 /nfs/dbraw/zinc/40/47/28/920404728.db2.gz ZYCWZGYNYCUDNV-GFCCVEGCSA-N 2 0 294.403 -0.143 20 0 CBADRP C[C@H](C[NH2+]CCCO)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497883179 920419784 /nfs/dbraw/zinc/41/97/84/920419784.db2.gz HCFSDEHOSKXXDV-NEPJUHHUSA-N 2 0 257.378 -0.053 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497983746 920432042 /nfs/dbraw/zinc/43/20/42/920432042.db2.gz KRHKYXIQTWHYAD-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP CCOCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CN(CC)CCO1 ZINC001497990550 920435409 /nfs/dbraw/zinc/43/54/09/920435409.db2.gz HDDSJZPRVLHPFG-CHWSQXEVSA-N 2 0 287.404 -0.162 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001498053134 920464137 /nfs/dbraw/zinc/46/41/37/920464137.db2.gz GIAQWBUDVFQKPF-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001498134556 920496723 /nfs/dbraw/zinc/49/67/23/920496723.db2.gz NGDNVXJBLDCWDK-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001498153859 920503137 /nfs/dbraw/zinc/50/31/37/920503137.db2.gz TUDYRLOTCQQDSW-WDEREUQCSA-N 2 0 298.387 -0.772 20 0 CBADRP CN(CCC[NH2+]CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001498550343 920609203 /nfs/dbraw/zinc/60/92/03/920609203.db2.gz RLILQYWDADDUDB-ZDUSSCGKSA-N 2 0 269.389 -0.241 20 0 CBADRP CC[C@H](C(=O)N(C)CCC[NH2+][C@H](C)C(=O)NC)[NH+](C)C ZINC001498581235 920612172 /nfs/dbraw/zinc/61/21/72/920612172.db2.gz CXAZGDLJQIRSMB-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)CC[NH+](C)C ZINC001498607025 920615007 /nfs/dbraw/zinc/61/50/07/920615007.db2.gz RCBTVXPELVZADL-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)CC[NH+](C)C ZINC001498607024 920614855 /nfs/dbraw/zinc/61/48/55/920614855.db2.gz RCBTVXPELVZADL-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1)C(N)=O ZINC001498817022 920642247 /nfs/dbraw/zinc/64/22/47/920642247.db2.gz JMXCQVQCNVTKNE-ZWNOBZJWSA-N 2 0 296.415 -0.314 20 0 CBADRP C[NH+]1CCC(CC(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)CC1 ZINC001498832985 920644109 /nfs/dbraw/zinc/64/41/09/920644109.db2.gz SBGDTMBRKASFHK-CYBMUJFWSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001498860618 920649455 /nfs/dbraw/zinc/64/94/55/920649455.db2.gz ALSWABZBUUSVJR-YPMHNXCESA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH+]1CCC(CC(=O)NC[C@@H]2CC[N@@H+]2CCO)CC1 ZINC001499073858 920695466 /nfs/dbraw/zinc/69/54/66/920695466.db2.gz INQVGGMLTBBDFN-ZDUSSCGKSA-N 2 0 269.389 -0.099 20 0 CBADRP CCN1CC[C@H]([NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)C1=O ZINC001499336506 920739071 /nfs/dbraw/zinc/73/90/71/920739071.db2.gz VXNISUHXBCHVHJ-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001499352054 920739102 /nfs/dbraw/zinc/73/91/02/920739102.db2.gz IZFDINMDWNKYDW-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H](C(=O)NCC1([NH2+]Cc2cnnn2C)CC1)[NH+](C)C ZINC001499352325 920740040 /nfs/dbraw/zinc/74/00/40/920740040.db2.gz XHJLNPSXYBFZTI-LBPRGKRZSA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001499448870 920747902 /nfs/dbraw/zinc/74/79/02/920747902.db2.gz VTVMJBVAEHWZES-ZJUUUORDSA-N 2 0 268.361 -0.950 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1([NH2+][C@@H](C)C(=O)NC)CC1 ZINC001499426814 920750017 /nfs/dbraw/zinc/75/00/17/920750017.db2.gz RSFWHBNVGKXBCG-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001499926462 920786378 /nfs/dbraw/zinc/78/63/78/920786378.db2.gz JLTKOYGKSOOYRQ-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[N@@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500718273 920867747 /nfs/dbraw/zinc/86/77/47/920867747.db2.gz QGRYZNNNKCOCCA-AWEZNQCLSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001500762827 920878173 /nfs/dbraw/zinc/87/81/73/920878173.db2.gz PVOFMOQZDBHNLY-OCCSQVGLSA-N 2 0 285.388 -0.984 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CC(N)=O)C2 ZINC001501013409 920936047 /nfs/dbraw/zinc/93/60/47/920936047.db2.gz PNWHHNPSODNHEU-AVGNSLFASA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CC(N)=O)C2 ZINC001501013410 920936499 /nfs/dbraw/zinc/93/64/99/920936499.db2.gz PNWHHNPSODNHEU-XQQFMLRXSA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC(=O)NC)C1 ZINC001501083426 920945601 /nfs/dbraw/zinc/94/56/01/920945601.db2.gz IDFVBRGOOSHXHI-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@]1(CO)CCC[N@H+](CCCO)C1 ZINC001501345786 920977040 /nfs/dbraw/zinc/97/70/40/920977040.db2.gz PDKVZJCNZMEQRL-AWEZNQCLSA-N 2 0 287.404 -0.736 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CCC2)CC[N@@H+]1C ZINC001501992905 921077385 /nfs/dbraw/zinc/07/73/85/921077385.db2.gz HZPXUCBRDSXUIO-RYUDHWBXSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)C[C@@H]1C ZINC001507335813 921812354 /nfs/dbraw/zinc/81/23/54/921812354.db2.gz ZBHGVYHXADQHCE-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP O=C(N[C@@H]1CC[C@@H](C[NH2+]CCO)C1)C12CC[NH+](CC1)C2 ZINC001507415317 921821221 /nfs/dbraw/zinc/82/12/21/921821221.db2.gz JQKSLOBZPHNMCU-CHWSQXEVSA-N 2 0 281.400 -0.051 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001507444950 921823835 /nfs/dbraw/zinc/82/38/35/921823835.db2.gz ZHNRYUCGOIKLLT-GFCCVEGCSA-N 2 0 298.431 -0.147 20 0 CBADRP CO[C@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001507540623 921864823 /nfs/dbraw/zinc/86/48/23/921864823.db2.gz FWRDGKQZVOGPQI-OLZOCXBDSA-N 2 0 299.415 -0.474 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CCC[C@]23CC[NH2+]C3)=NO1 ZINC001514547554 922201684 /nfs/dbraw/zinc/20/16/84/922201684.db2.gz GLZUDULJUVBOAB-BXKDBHETSA-N 2 0 252.318 -0.556 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001514595777 922205012 /nfs/dbraw/zinc/20/50/12/922205012.db2.gz MNWAQSHJBIHBLF-NEPJUHHUSA-N 2 0 255.362 -0.083 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001514709180 922212236 /nfs/dbraw/zinc/21/22/36/922212236.db2.gz VLAIUUPWMOGYKJ-YUTCNCBUSA-N 2 0 267.373 -0.251 20 0 CBADRP [NH3+]Cc1ncc(C(=O)N[C@]23CCC[C@H]2C[NH2+]C3)cn1 ZINC001514706339 922212578 /nfs/dbraw/zinc/21/25/78/922212578.db2.gz BMCAYDJRPSJMSI-GWCFXTLKSA-N 2 0 261.329 -0.193 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N(C)CC1CC[NH2+]CC1 ZINC001515496101 922235332 /nfs/dbraw/zinc/23/53/32/922235332.db2.gz HOFLOTMUTPOFPY-JQWIXIFHSA-N 2 0 257.378 -0.339 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001521158354 922335054 /nfs/dbraw/zinc/33/50/54/922335054.db2.gz LQPDOOMFNFLBLQ-UTUOFQBUSA-N 2 0 254.378 -0.526 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001521159279 922337724 /nfs/dbraw/zinc/33/77/24/922337724.db2.gz ZPXNJQLIIONCTD-GRYCIOLGSA-N 2 0 254.378 -0.511 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC001521152468 922337938 /nfs/dbraw/zinc/33/79/38/922337938.db2.gz WHDNPDSDDXZGCM-VHSXEESVSA-N 2 0 257.334 -0.617 20 0 CBADRP C[NH2+]CCCN(C)C(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001521195366 922339722 /nfs/dbraw/zinc/33/97/22/922339722.db2.gz RHXXIRUJSPKYFD-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP CCCN(C(=O)[C@H]1C[NH2+]CCN1C)C1CC[NH2+]CC1 ZINC001521408963 922353372 /nfs/dbraw/zinc/35/33/72/922353372.db2.gz PNARFPVAEVKXLD-CYBMUJFWSA-N 2 0 268.405 -0.119 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001521445273 922357516 /nfs/dbraw/zinc/35/75/16/922357516.db2.gz GLNMQYUOHQIIFR-LOWDOPEQSA-N 2 0 269.389 -0.054 20 0 CBADRP CC[NH+]1CCC(CCNC(=O)C[C@H](O)C[NH3+])CC1 ZINC001521482936 922359682 /nfs/dbraw/zinc/35/96/82/922359682.db2.gz YUSLUWWTSHWBKY-LBPRGKRZSA-N 2 0 257.378 -0.066 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001521508068 922360721 /nfs/dbraw/zinc/36/07/21/922360721.db2.gz OPPJQHZMUBTNLE-CABZTGNLSA-N 2 0 254.334 -0.404 20 0 CBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H](O)C[NH3+])C1 ZINC001521496161 922361050 /nfs/dbraw/zinc/36/10/50/922361050.db2.gz PJDSDKZFFOJEQJ-RYUDHWBXSA-N 2 0 257.378 -0.114 20 0 CBADRP CCC[NH2+]CCNC(=O)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC001521507289 922361329 /nfs/dbraw/zinc/36/13/29/922361329.db2.gz GJWPUOONPKBIGQ-LBPRGKRZSA-N 2 0 272.393 -0.408 20 0 CBADRP C[NH2+]C1(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CCC1 ZINC001521503975 922362093 /nfs/dbraw/zinc/36/20/93/922362093.db2.gz LYQBFPQQIGITAN-GFCCVEGCSA-N 2 0 268.405 -0.119 20 0 CBADRP C[NH2+]C1CC(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)C1 ZINC001521503168 922363546 /nfs/dbraw/zinc/36/35/46/922363546.db2.gz DJRVGYORMTWQET-HIFPTAJRSA-N 2 0 268.405 -0.264 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001521511793 922364071 /nfs/dbraw/zinc/36/40/71/922364071.db2.gz DACDYCGFSHCJQN-GFCCVEGCSA-N 2 0 266.389 -0.508 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)C[NH+]2CCC(CO)CC2)[C@H]1C ZINC001521526632 922364242 /nfs/dbraw/zinc/36/42/42/922364242.db2.gz FBFBHKVTKPWULS-RYUDHWBXSA-N 2 0 269.389 -0.101 20 0 CBADRP COCCC1(NC(=O)[C@@H]([NH3+])COC)CC[NH2+]CC1 ZINC001522359724 922410989 /nfs/dbraw/zinc/41/09/89/922410989.db2.gz VSCDYCUGUIUDMN-JTQLQIEISA-N 2 0 259.350 -0.765 20 0 CBADRP CN(C(=O)C[C@]1(O)CCC[NH2+]C1)[C@@H](C[NH3+])C1CC1 ZINC001521691472 922373471 /nfs/dbraw/zinc/37/34/71/922373471.db2.gz PYKDMQFICZBREB-WCQYABFASA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC1([NH+](C)C)CC1 ZINC001521666487 922374089 /nfs/dbraw/zinc/37/40/89/922374089.db2.gz LNTAYWRLASASPP-NWDGAFQWSA-N 2 0 266.389 -0.415 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001521706326 922378191 /nfs/dbraw/zinc/37/81/91/922378191.db2.gz OHTAZKGBEGOZKR-UHFFFAOYSA-N 2 0 268.361 -0.047 20 0 CBADRP COCC[C@H]([NH3+])C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001521739539 922378420 /nfs/dbraw/zinc/37/84/20/922378420.db2.gz BSSVSODKEQCCJK-UWVGGRQHSA-N 2 0 261.391 -0.439 20 0 CBADRP O=C(N[C@H]1COC2(C[NH2+]C2)C1)[C@H]1CCCCC[NH2+]1 ZINC001521974146 922395787 /nfs/dbraw/zinc/39/57/87/922395787.db2.gz NDYFUKFBRUBGQT-GHMZBOCLSA-N 2 0 253.346 -0.234 20 0 CBADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)CC1 ZINC001522233567 922404000 /nfs/dbraw/zinc/40/40/00/922404000.db2.gz USSSLNQPPIZMMC-LLVKDONJSA-N 2 0 255.362 -0.347 20 0 CBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@H]([NH2+]CCO)C1 ZINC001522231894 922404613 /nfs/dbraw/zinc/40/46/13/922404613.db2.gz OFSJADQFEJIOKZ-NNYUYHANSA-N 2 0 253.346 -0.975 20 0 CBADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001522311782 922406450 /nfs/dbraw/zinc/40/64/50/922406450.db2.gz NQDUBRCGQSBTMJ-KWBADKCTSA-N 2 0 268.361 -0.255 20 0 CBADRP O=C(c1ccc2c(c1)C[NH2+]C2)N1CC[NH2+]C[C@H]1CO ZINC001522417384 922409394 /nfs/dbraw/zinc/40/93/94/922409394.db2.gz GFRQDMSEARKIRO-ZDUSSCGKSA-N 2 0 261.325 -0.304 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)C1=O ZINC001522405551 922410172 /nfs/dbraw/zinc/41/01/72/922410172.db2.gz IJQMOBHSEHFGOS-TYNCELHUSA-N 2 0 294.399 -0.416 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001522360753 922410280 /nfs/dbraw/zinc/41/02/80/922410280.db2.gz ZFEFZVAOGWKQQL-BJDJZHNGSA-N 2 0 255.362 -0.444 20 0 CBADRP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC[NH2+]C[C@H]1CO ZINC001522419570 922411827 /nfs/dbraw/zinc/41/18/27/922411827.db2.gz YTJSYGKGKXJEFO-IUCAKERBSA-N 2 0 263.288 -0.976 20 0 CBADRP CCC1([NH3+])CCN(C(=O)[C@H](C)[C@H](O)C[NH2+]C)CC1 ZINC001522444801 922417801 /nfs/dbraw/zinc/41/78/01/922417801.db2.gz HYMULAWRFAGJHA-GHMZBOCLSA-N 2 0 257.378 -0.067 20 0 CBADRP CCC1([NH3+])CCN(C(=O)[C@@H](C)[C@@H](O)C[NH2+]C)CC1 ZINC001522444807 922417909 /nfs/dbraw/zinc/41/79/09/922417909.db2.gz HYMULAWRFAGJHA-QWRGUYRKSA-N 2 0 257.378 -0.067 20 0 CBADRP C[NH2+]CC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001522614570 922486497 /nfs/dbraw/zinc/48/64/97/922486497.db2.gz VEFUNGNFYNPMRE-BETUJISGSA-N 2 0 266.389 -0.367 20 0 CBADRP C[NH+](C)CCCC(=O)NCCNC(=O)C[NH+]1CCCC1 ZINC001522657974 922497483 /nfs/dbraw/zinc/49/74/83/922497483.db2.gz PBQGAMSRBUTMSS-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP CC[NH+](CC)CC(=O)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001522657781 922498161 /nfs/dbraw/zinc/49/81/61/922498161.db2.gz UFUOLQOAMXMDHK-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CC1(C)CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1[NH3+] ZINC001522704498 922504553 /nfs/dbraw/zinc/50/45/53/922504553.db2.gz AXZLTZINYSUNFE-VHSXEESVSA-N 2 0 268.361 -0.950 20 0 CBADRP C[NH+](C)CCCC(=O)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001522763697 922514809 /nfs/dbraw/zinc/51/48/09/922514809.db2.gz NRGPTSJCEIBZFP-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@@H]1[NH2+]C[C@H](C)N(C(=O)[C@@H](N)CC[NH+](C)C)[C@H]1C ZINC001522823504 922529065 /nfs/dbraw/zinc/52/90/65/922529065.db2.gz CBGDADFNWLDHMJ-BJDJZHNGSA-N 2 0 256.394 -0.137 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C[C@]2(O)CCC[NH2+]C2)CC[N@@H+]1C ZINC001522857764 922539145 /nfs/dbraw/zinc/53/91/45/922539145.db2.gz NQURUGPCUTYLLR-NTZNESFSSA-N 2 0 255.362 -0.300 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001522930426 922549367 /nfs/dbraw/zinc/54/93/67/922549367.db2.gz LFMLLMVCZRWOFF-CQSZACIVSA-N 2 0 299.463 -0.543 20 0 CBADRP [NH3+]C1(C(=O)N2CCNCC[NH2+]CC2)Cc2ccccc2C1 ZINC001523009599 922558282 /nfs/dbraw/zinc/55/82/82/922558282.db2.gz HLHSBBNPYBDYIG-UHFFFAOYSA-N 2 0 288.395 -0.496 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC001523026399 922562956 /nfs/dbraw/zinc/56/29/56/922562956.db2.gz ANKUZNJIQWZCFC-RYUDHWBXSA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH+](C)CCC(=O)N1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001523189312 922572612 /nfs/dbraw/zinc/57/26/12/922572612.db2.gz UPVOLGLDTGJKKS-UHFFFAOYSA-N 2 0 298.431 -0.049 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001523229444 922577338 /nfs/dbraw/zinc/57/73/38/922577338.db2.gz QIVNTOCPDACKSS-MDZLAQPJSA-N 2 0 253.346 -0.153 20 0 CBADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[C@]1(O)CCC[NH2+]C1)C2 ZINC001523550771 922595803 /nfs/dbraw/zinc/59/58/03/922595803.db2.gz NZVUEQVAYORZMW-ZJQBRPOHSA-N 2 0 267.373 -0.171 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001523507113 922596098 /nfs/dbraw/zinc/59/60/98/922596098.db2.gz JGPSEEQZOMELLL-KIJLLGNVSA-N 2 0 264.373 -0.616 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001523543109 922597198 /nfs/dbraw/zinc/59/71/98/922597198.db2.gz BVKKPMKUKNBQLQ-WUHRBBMRSA-N 2 0 267.373 -0.036 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)c1coc(C[NH3+])c1 ZINC001523586221 922599690 /nfs/dbraw/zinc/59/96/90/922599690.db2.gz MFKGHCQGRBHFKB-SNVBAGLBSA-N 2 0 253.302 -0.201 20 0 CBADRP [NH3+][C@@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2)C12CCC2 ZINC001523604879 922599725 /nfs/dbraw/zinc/59/97/25/922599725.db2.gz AZPMQXUGLZYYED-GHMZBOCLSA-N 2 0 252.362 -0.722 20 0 CBADRP [NH3+][C@@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2)C12CCC2 ZINC001523604880 922599933 /nfs/dbraw/zinc/59/99/33/922599933.db2.gz AZPMQXUGLZYYED-MNOVXSKESA-N 2 0 252.362 -0.722 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001523571956 922600920 /nfs/dbraw/zinc/60/09/20/922600920.db2.gz MCBUFSYTHJNTPR-GVXVVHGQSA-N 2 0 255.362 -0.443 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001523571954 922601405 /nfs/dbraw/zinc/60/14/05/922601405.db2.gz MCBUFSYTHJNTPR-GMXVVIOVSA-N 2 0 255.362 -0.443 20 0 CBADRP O=C(C[NH2+]C1CC1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001523742747 922607678 /nfs/dbraw/zinc/60/76/78/922607678.db2.gz MSHBCZBETQNGEO-UHFFFAOYSA-N 2 0 253.346 -0.282 20 0 CBADRP C[C@H](NC(=O)[C@@H]([NH3+])CC1CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001524028837 922613807 /nfs/dbraw/zinc/61/38/07/922613807.db2.gz FHGJDZLZKYKNIC-DRZSPHRISA-N 2 0 268.405 -0.136 20 0 CBADRP C[C@H](NC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21)[C@H]1C[N@H+](C)CCN1C ZINC001524029764 922615775 /nfs/dbraw/zinc/61/57/75/922615775.db2.gz SJNIMEAECGBJBG-JZRPKSSGSA-N 2 0 266.389 -0.655 20 0 CBADRP COC[C@]1(C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[NH2+]C1 ZINC001524120511 922620536 /nfs/dbraw/zinc/62/05/36/922620536.db2.gz WMSAYMDSCRILGM-WGBDABJCSA-N 2 0 253.346 -0.711 20 0 CBADRP CN(C(=O)[C@H]([NH3+])Cc1ccccn1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001524120373 922621700 /nfs/dbraw/zinc/62/17/00/922621700.db2.gz UAIZSUKVNZOHKO-XQHKEYJVSA-N 2 0 260.341 -0.372 20 0 CBADRP C[C@]1(C(=O)NCC[C@@H]2CCC[NH2+]CC2)C[C@H](O)C[NH2+]1 ZINC001524221993 922626519 /nfs/dbraw/zinc/62/65/19/922626519.db2.gz HFDWPCWXBDRQQP-MBNYWOFBSA-N 2 0 269.389 -0.005 20 0 CBADRP CCN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC001524265827 922626533 /nfs/dbraw/zinc/62/65/33/922626533.db2.gz GBIDIOAQEVMDSN-UWVGGRQHSA-N 2 0 254.334 -0.310 20 0 CBADRP CCN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC001524265830 922627648 /nfs/dbraw/zinc/62/76/48/922627648.db2.gz GBIDIOAQEVMDSN-VHSXEESVSA-N 2 0 254.334 -0.310 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001525369265 922666831 /nfs/dbraw/zinc/66/68/31/922666831.db2.gz ZUCFNDKRGNEIAQ-XQQFMLRXSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@@H](C(=O)N(C)CCNC(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001528176475 922808422 /nfs/dbraw/zinc/80/84/22/922808422.db2.gz OCJXOCKIALBVKY-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+](C)CCCC(=O)NC1CN(C(=O)CCC[NH+](C)C)C1 ZINC001530610100 922953060 /nfs/dbraw/zinc/95/30/60/922953060.db2.gz FUZAKZHPRCLWIS-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP [NH3+]C[C@H](C(=O)N1CCCO[C@@H](C[NH3+])C1)C1CCOCC1 ZINC001548433717 923353254 /nfs/dbraw/zinc/35/32/54/923353254.db2.gz LUDLLPONKTYLDC-STQMWFEESA-N 2 0 285.388 -0.436 20 0 CBADRP Cc1c(C(=O)N2C[C@H]([NH3+])C[C@@H]2C)nnn1[C@H]1CC[NH2+]C1 ZINC001548464543 923355050 /nfs/dbraw/zinc/35/50/50/923355050.db2.gz UQHAOCVIKKWKKV-GDPRMGEGSA-N 2 0 278.360 -0.317 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001548551325 923374634 /nfs/dbraw/zinc/37/46/34/923374634.db2.gz QCQYFZZZERNTKT-NSHDSACASA-N 2 0 280.376 -0.713 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001548551324 923375289 /nfs/dbraw/zinc/37/52/89/923375289.db2.gz QCQYFZZZERNTKT-LLVKDONJSA-N 2 0 280.376 -0.713 20 0 CBADRP COc1cc[nH+]c(N2CCN(C(=O)C[C@@H](O)C[NH3+])CC2)c1 ZINC001548554490 923375452 /nfs/dbraw/zinc/37/54/52/923375452.db2.gz VFGJIIMGDYEOBK-LLVKDONJSA-N 2 0 294.355 -0.552 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)CCO1 ZINC001548556339 923378578 /nfs/dbraw/zinc/37/85/78/923378578.db2.gz ATOFXBGYCOKMDN-GWCFXTLKSA-N 2 0 282.344 -0.929 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548557430 923378628 /nfs/dbraw/zinc/37/86/28/923378628.db2.gz VOZYNIKAMHKSEY-KKZNHRDASA-N 2 0 275.299 -0.522 20 0 CBADRP O=C(N1CCC[C@@]2(CC[NH2+]C2)C1)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548556127 923379488 /nfs/dbraw/zinc/37/94/88/923379488.db2.gz BGWUESUJNDFTDY-SNPRPXQTSA-N 2 0 279.384 -0.033 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001548557441 923379633 /nfs/dbraw/zinc/37/96/33/923379633.db2.gz NDJZHZRAOIKTMW-JQWIXIFHSA-N 2 0 280.372 -0.001 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548556558 923380438 /nfs/dbraw/zinc/38/04/38/923380438.db2.gz DVYFKZJLMVPRIY-NOHGZBONSA-N 2 0 253.346 -0.521 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548556561 923380506 /nfs/dbraw/zinc/38/05/06/923380506.db2.gz DVYFKZJLMVPRIY-UZWSLXQKSA-N 2 0 253.346 -0.521 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001548557945 923381703 /nfs/dbraw/zinc/38/17/03/923381703.db2.gz QTQCVWINDGLRHB-NQBHXWOUSA-N 2 0 255.362 -0.395 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001548557947 923382142 /nfs/dbraw/zinc/38/21/42/923382142.db2.gz QTQCVWINDGLRHB-NTZNESFSSA-N 2 0 255.362 -0.395 20 0 CBADRP C[NH+]1CCN(c2ccc(NC(=O)C[C@@H](O)C[NH3+])cn2)CC1 ZINC001548559461 923382982 /nfs/dbraw/zinc/38/29/82/923382982.db2.gz PQQULHRSOFUBRX-GFCCVEGCSA-N 2 0 293.371 -0.518 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC001548558262 923383917 /nfs/dbraw/zinc/38/39/17/923383917.db2.gz OCQIKHKMJRTMKQ-RYUDHWBXSA-N 2 0 268.405 -0.216 20 0 CBADRP [NH3+]CCNCC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC001548564205 923385272 /nfs/dbraw/zinc/38/52/72/923385272.db2.gz BXZCRLXVTVYJPC-CYBMUJFWSA-N 2 0 262.357 -0.381 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NCC[C@H]1CSCC[NH2+]1 ZINC001548563742 923385874 /nfs/dbraw/zinc/38/58/74/923385874.db2.gz POSQBWDXYYKENO-WDEREUQCSA-N 2 0 273.402 -0.424 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)CCCO1 ZINC001548562487 923386562 /nfs/dbraw/zinc/38/65/62/923386562.db2.gz QHVKPSMYDFWBJO-BXUZGUMPSA-N 2 0 296.371 -0.539 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001548566023 923388946 /nfs/dbraw/zinc/38/89/46/923388946.db2.gz RZQWZXHEHDMPEM-MNOVXSKESA-N 2 0 272.418 -0.899 20 0 CBADRP [NH3+]C[C@@H](C(=O)N[C@@H]1COC2(C[NH2+]C2)C1)c1ccccc1 ZINC001548569054 923389626 /nfs/dbraw/zinc/38/96/26/923389626.db2.gz MGMKFMLSIHJOLG-QWHCGFSZSA-N 2 0 275.352 -0.024 20 0 CBADRP [NH3+]C[C@@]1(C(=O)NCC[C@@H]2CSCC[NH2+]2)CCCOC1 ZINC001548566001 923389738 /nfs/dbraw/zinc/38/97/38/923389738.db2.gz RNDIJLKFEZMPBP-YPMHNXCESA-N 2 0 287.429 -0.047 20 0 CBADRP [NH3+]CCc1nc(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)cs1 ZINC001548570806 923392872 /nfs/dbraw/zinc/39/28/72/923392872.db2.gz XYPAHVQJBAGHEU-MRVPVSSYSA-N 2 0 282.369 -0.495 20 0 CBADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1CCO3)C2 ZINC001548573599 923396871 /nfs/dbraw/zinc/39/68/71/923396871.db2.gz ITTQTZIMFTYPOT-WVWOOGAGSA-N 2 0 265.357 -0.295 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCO3)C[NH2+]1 ZINC001548575242 923398856 /nfs/dbraw/zinc/39/88/56/923398856.db2.gz YPTHVQHKEJQLQK-DCQANWLSSA-N 2 0 253.346 -0.378 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001548574533 923400104 /nfs/dbraw/zinc/40/01/04/923400104.db2.gz FVDJYJFCMGBQNU-NWDGAFQWSA-N 2 0 287.429 -0.346 20 0 CBADRP CC1(C)CN(C(=O)C2CC[NH2+]CC2)CC2(C[NH2+]C2)O1 ZINC001548576018 923400920 /nfs/dbraw/zinc/40/09/20/923400920.db2.gz OUHHKXCNIXVGLD-UHFFFAOYSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH2+]CCCC(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548575744 923401207 /nfs/dbraw/zinc/40/12/07/923401207.db2.gz JYUWCWIVTCLREF-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP CC1(C)CN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC2(C[NH2+]C2)O1 ZINC001548580108 923403263 /nfs/dbraw/zinc/40/32/63/923403263.db2.gz VVCFETATWABOEC-SMDDNHRTSA-N 2 0 279.384 -0.035 20 0 CBADRP COC1(C(=O)N2CC3(C[NH2+]C3)OC(C)(C)C2)CC[NH2+]CC1 ZINC001548576538 923403761 /nfs/dbraw/zinc/40/37/61/923403761.db2.gz WRDZBYOHRLSZCG-UHFFFAOYSA-N 2 0 297.399 -0.266 20 0 CBADRP CC1(C(=O)N2CC3(C[NH2+]C3)OC(C)(C)C2)C[NH2+]C1 ZINC001548579030 923404175 /nfs/dbraw/zinc/40/41/75/923404175.db2.gz PDVYMDXHOOYFKR-UHFFFAOYSA-N 2 0 253.346 -0.425 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC001548576281 923404551 /nfs/dbraw/zinc/40/45/51/923404551.db2.gz OCTGPNNASNFUCT-GXTWGEPZSA-N 2 0 277.368 -0.088 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001548623846 923409740 /nfs/dbraw/zinc/40/97/40/923409740.db2.gz HMGZMQMAAZYAST-KGLIPLIRSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC1([NH+](C)C)CCC1 ZINC001548690492 923452943 /nfs/dbraw/zinc/45/29/43/923452943.db2.gz OWTPZQPASSHHRP-OLZOCXBDSA-N 2 0 280.416 -0.025 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC001548695907 923459934 /nfs/dbraw/zinc/45/99/34/923459934.db2.gz VTQYILQGQIJLIP-FQUUOJAGSA-N 2 0 278.400 -0.605 20 0 CBADRP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC001548711156 923470755 /nfs/dbraw/zinc/47/07/55/923470755.db2.gz SZNIFCNOOCJBAR-XJFOESAGSA-N 2 0 280.416 -0.074 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC001548716613 923471376 /nfs/dbraw/zinc/47/13/76/923471376.db2.gz VTORLDQXYUTPDD-RQJABVFESA-N 2 0 278.400 -0.463 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@H]1CCn2cncc2C1 ZINC001548723972 923475804 /nfs/dbraw/zinc/47/58/04/923475804.db2.gz FLPZZPFMSOMQSJ-DYEKYZERSA-N 2 0 289.383 -0.298 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC001548725925 923480289 /nfs/dbraw/zinc/48/02/89/923480289.db2.gz KTOUJLZUJJZMTK-XQLPTFJDSA-N 2 0 292.427 -0.215 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001548747543 923490626 /nfs/dbraw/zinc/49/06/26/923490626.db2.gz PNQRQRDDOOIWNB-ZFWWWQNUSA-N 2 0 299.415 -0.520 20 0 CBADRP C[NH+](C)C[C@]1(O)CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC001548749659 923493289 /nfs/dbraw/zinc/49/32/89/923493289.db2.gz CSCBZSVSAFCDKS-DZGCQCFKSA-N 2 0 297.399 -0.768 20 0 CBADRP CO[C@@H]1C[NH2+][C@H](C(=O)N2C[C@@H]([NH3+])[C@@H](c3cnn(C)c3)C2)C1 ZINC001548945975 923514919 /nfs/dbraw/zinc/51/49/19/923514919.db2.gz DEEUFDDATCOHEK-LOWDOPEQSA-N 2 0 293.371 -0.950 20 0 CBADRP [NH3+][C@H]1C[C@H]1C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC001549026361 923521425 /nfs/dbraw/zinc/52/14/25/923521425.db2.gz QKBMRJFWNCNUPO-NEPJUHHUSA-N 2 0 275.356 -0.003 20 0 CBADRP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549045019 923533266 /nfs/dbraw/zinc/53/32/66/923533266.db2.gz QDHFCGYNFGIWKE-AVGNSLFASA-N 2 0 279.384 -0.035 20 0 CBADRP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549045020 923534812 /nfs/dbraw/zinc/53/48/12/923534812.db2.gz QDHFCGYNFGIWKE-RWMBFGLXSA-N 2 0 279.384 -0.035 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549044711 923535508 /nfs/dbraw/zinc/53/55/08/923535508.db2.gz AOXGRBDUYJAERC-NOOOWODRSA-N 2 0 253.346 -0.569 20 0 CBADRP [NH3+]Cc1ccc(C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)o1 ZINC001549045214 923538740 /nfs/dbraw/zinc/53/87/40/923538740.db2.gz MFDCORWWSOGEOV-WDEREUQCSA-N 2 0 265.313 -0.059 20 0 CBADRP COCC1(C(=O)NC[C@H]2C[NH2+]CCCO2)CC[NH2+]CC1 ZINC001549046088 923539237 /nfs/dbraw/zinc/53/92/37/923539237.db2.gz FKSCGAWXCCZWKU-GFCCVEGCSA-N 2 0 285.388 -0.503 20 0 CBADRP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)C1 ZINC001549045231 923539460 /nfs/dbraw/zinc/53/94/60/923539460.db2.gz PISJICYUSPJXHX-USZNOCQGSA-N 2 0 253.346 -0.297 20 0 CBADRP [NH3+][C@@H]1CCc2nc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)sc2C1 ZINC001549045652 923541019 /nfs/dbraw/zinc/54/10/19/923541019.db2.gz GAVGGOYKKANZIW-BKPPORCPSA-N 2 0 282.369 -0.380 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549045760 923541362 /nfs/dbraw/zinc/54/13/62/923541362.db2.gz ISQXWYLCUQVCEH-UWVGGRQHSA-N 2 0 276.331 -0.525 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001549047348 923542129 /nfs/dbraw/zinc/54/21/29/923542129.db2.gz RKGGGIHSZVLMKF-DRZSPHRISA-N 2 0 292.387 -0.102 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)nn1 ZINC001549047340 923542841 /nfs/dbraw/zinc/54/28/41/923542841.db2.gz QYGAGCBVLPGUAR-NDBYEHHHSA-N 2 0 290.371 -0.634 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)nn1 ZINC001549047342 923543647 /nfs/dbraw/zinc/54/36/47/923543647.db2.gz QYGAGCBVLPGUAR-WUHRBBMRSA-N 2 0 290.371 -0.634 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001549048701 923545495 /nfs/dbraw/zinc/54/54/95/923545495.db2.gz FONYPVKTNXOHDN-AVGNSLFASA-N 2 0 285.388 -0.295 20 0 CBADRP C[C@@H](C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)[C@H](C)[NH3+] ZINC001549047818 923545778 /nfs/dbraw/zinc/54/57/78/923545778.db2.gz ZQUQVZPRVCAXJJ-SCVCMEIPSA-N 2 0 280.376 -0.116 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[NH2+]C3)C[C@H]2[NH3+])cn1 ZINC001549049001 923546569 /nfs/dbraw/zinc/54/65/69/923546569.db2.gz ZVELHVQQDWWGQN-ZMLRMANQSA-N 2 0 263.345 -0.717 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)C(C)(C)[NH3+])C[C@H]2[NH3+])cn1 ZINC001549048054 923547765 /nfs/dbraw/zinc/54/77/65/923547765.db2.gz HTYVPZZUIPZCLL-NXEZZACHSA-N 2 0 251.334 -0.590 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C(C)(C)[NH3+])C[C@@H]2[NH3+])cn1 ZINC001549048055 923548296 /nfs/dbraw/zinc/54/82/96/923548296.db2.gz HTYVPZZUIPZCLL-UWVGGRQHSA-N 2 0 251.334 -0.590 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@]3(C)CC[NH2+]C3)C[C@H]2[NH3+])cn1 ZINC001549050912 923549638 /nfs/dbraw/zinc/54/96/38/923549638.db2.gz QSPMCZKCQZWPHA-OUCADQQQSA-N 2 0 277.372 -0.327 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1c1ccccc1F ZINC001549051247 923550183 /nfs/dbraw/zinc/55/01/83/923550183.db2.gz UGLCGPPWTWZQMV-IMJCEVDSSA-N 2 0 293.342 -0.198 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)C3CC([NH3+])C3)C[C@H]2[NH3+])cn1 ZINC001549050808 923551091 /nfs/dbraw/zinc/55/10/91/923551091.db2.gz OKFVTTCMHLTLMX-DPHRUIKTSA-N 2 0 263.345 -0.590 20 0 CBADRP CC(C)(C(=O)NC[C@@H]1C[NH2+]CCCO1)N1CC[NH2+]CC1 ZINC001549072996 923552164 /nfs/dbraw/zinc/55/21/64/923552164.db2.gz XIZVJJMUZGMTCK-LBPRGKRZSA-N 2 0 284.404 -0.835 20 0 CBADRP CC(C)(C(=O)N1CCCO[C@H](C[NH3+])C1)N1CC[NH2+]CC1 ZINC001549075241 923554913 /nfs/dbraw/zinc/55/49/13/923554913.db2.gz OXNPONBIUPWDJW-GFCCVEGCSA-N 2 0 284.404 -0.754 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N2C[C@H]3CCC[C@@]3(C[NH3+])C2)nn1 ZINC001549126857 923561101 /nfs/dbraw/zinc/56/11/01/923561101.db2.gz FKMOFDVBMGQZTA-BXUZGUMPSA-N 2 0 292.387 -0.172 20 0 CBADRP C[NH2+][C@H](C)C(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549170729 923563981 /nfs/dbraw/zinc/56/39/81/923563981.db2.gz SNPCDNZTINCLOQ-FBIMIBRVSA-N 2 0 251.334 -0.719 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCCC[NH2+]C1 ZINC001549286906 923575955 /nfs/dbraw/zinc/57/59/55/923575955.db2.gz CXLSHLALWFPSCF-VXGBXAGGSA-N 2 0 255.362 -0.129 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549285997 923575990 /nfs/dbraw/zinc/57/59/90/923575990.db2.gz JBJPNMYZNIFBPK-JHJVBQTASA-N 2 0 266.389 -0.380 20 0 CBADRP O=C([C@@H]1CCCC[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549286025 923578172 /nfs/dbraw/zinc/57/81/72/923578172.db2.gz OFWUHEZIEONEOB-KGLIPLIRSA-N 2 0 280.416 -0.118 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C3(O)C[NH2+]C3)C2)C1 ZINC001549291852 923580095 /nfs/dbraw/zinc/58/00/95/923580095.db2.gz DRXYMXAHQPLVOT-UTUOFQBUSA-N 2 0 283.372 -0.934 20 0 CBADRP O=C([C@@H]1CCCC[NH2+]C1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549292329 923580465 /nfs/dbraw/zinc/58/04/65/923580465.db2.gz AWBOHAUZGKZPTP-FRRDWIJNSA-N 2 0 267.373 -0.035 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)CC3([NH3+])CC3)C[C@@H]2[NH3+])cn1 ZINC001549292932 923580509 /nfs/dbraw/zinc/58/05/09/923580509.db2.gz PWTGLLJTFXRKIA-QWRGUYRKSA-N 2 0 263.345 -0.445 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC001549292339 923580949 /nfs/dbraw/zinc/58/09/49/923580949.db2.gz RGXQKOVSUVYENV-RDBSUJKOSA-N 2 0 281.400 -0.053 20 0 CBADRP [NH3+][C@H]1CN(C(=O)C2(O)C[NH2+]C2)C[C@H]1c1ccccc1F ZINC001549292214 923581341 /nfs/dbraw/zinc/58/13/41/923581341.db2.gz PBXNNNJVKOXSOH-JQWIXIFHSA-N 2 0 279.315 -0.587 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001549290284 923581910 /nfs/dbraw/zinc/58/19/10/923581910.db2.gz LKBMTKFXFYYJIZ-UTZTVMBJSA-N 2 0 251.330 -0.828 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC001549298314 923583466 /nfs/dbraw/zinc/58/34/66/923583466.db2.gz LDXMHDSRBLRGGZ-QDYJBQRPSA-N 2 0 253.346 -0.310 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2C[C@H]3CCC[C@@]3(C[NH3+])C2)nn1 ZINC001549293751 923584446 /nfs/dbraw/zinc/58/44/46/923584446.db2.gz ZJNDTCLRVUIAPS-ZWNOBZJWSA-N 2 0 278.360 -0.562 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC001549298265 923584892 /nfs/dbraw/zinc/58/48/92/923584892.db2.gz GYINJFDCYFSHKX-IQLKVPPVSA-N 2 0 290.371 -0.234 20 0 CBADRP CC(C)[NH2+]CC(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001549293817 923585975 /nfs/dbraw/zinc/58/59/75/923585975.db2.gz SSSFPTMPJOSGMT-LBPRGKRZSA-N 2 0 280.376 -0.102 20 0 CBADRP O=C(NCC1CC[NH+](CC2CC2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC001549302057 923586528 /nfs/dbraw/zinc/58/65/28/923586528.db2.gz GGWNYQHCCSMFPX-UONOGXRCSA-N 2 0 281.400 -0.053 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001549612757 923617627 /nfs/dbraw/zinc/61/76/27/923617627.db2.gz RKSSUNANCWPRSC-SRVKXCTJSA-N 2 0 270.377 -0.195 20 0 CBADRP C[NH+](C)[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1n1ccnn1 ZINC001549670000 923627198 /nfs/dbraw/zinc/62/71/98/923627198.db2.gz DJAZYYURGSHZFA-JHJVBQTASA-N 2 0 292.387 -0.314 20 0 CBADRP C[C@H]([NH3+])CC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549727987 923629695 /nfs/dbraw/zinc/62/96/95/923629695.db2.gz FBLVYTAIRYAZGO-CHIMOYNISA-N 2 0 282.388 -0.513 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549730409 923633158 /nfs/dbraw/zinc/63/31/58/923633158.db2.gz DKNKDHYSBZWGPT-SCDSUCTJSA-N 2 0 296.415 -0.253 20 0 CBADRP O=C(Nc1c[nH]nc1[C@H]1CC[NH2+]C1)[C@H]1C[NH2+]CCO1 ZINC001549728461 923633797 /nfs/dbraw/zinc/63/37/97/923633797.db2.gz ACACKZHBNVHWBT-WCBMZHEXSA-N 2 0 265.317 -0.587 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@]3(C)C[NH2+]CCO3)C[C@H]2[NH3+])c1 ZINC001549732552 923633900 /nfs/dbraw/zinc/63/39/00/923633900.db2.gz DPQLTBRZOQYOAQ-GYSYKLTISA-N 2 0 293.371 -0.948 20 0 CBADRP Cn1cnc([C@H]2CN(C(=O)CC(C)(C)[NH3+])C[C@@H]2[NH3+])c1 ZINC001549735002 923635730 /nfs/dbraw/zinc/63/57/30/923635730.db2.gz IMRWPCSMAHWABF-UWVGGRQHSA-N 2 0 265.361 -0.199 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)C[C@@H]2[NH3+])c1 ZINC001549736891 923636230 /nfs/dbraw/zinc/63/62/30/923636230.db2.gz ZIJTXOLEURGRAW-KKOKHZNYSA-N 2 0 277.372 -0.199 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1 ZINC001549737151 923636335 /nfs/dbraw/zinc/63/63/35/923636335.db2.gz IJLMVPDRBNLBLU-AXFHLTTASA-N 2 0 265.361 -0.199 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1 ZINC001549735996 923636345 /nfs/dbraw/zinc/63/63/45/923636345.db2.gz OCQXQYDAKUAODM-AEJSXWLSSA-N 2 0 251.334 -0.590 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[NH2+]C3)C[C@H]2[NH3+])c1 ZINC001549735659 923636577 /nfs/dbraw/zinc/63/65/77/923636577.db2.gz MLFVYIIUBWQULN-GMTAPVOTSA-N 2 0 263.345 -0.717 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)C[C@@H]3CCC[NH2+]3)C[C@@H]2[NH3+])c1 ZINC001549736922 923636584 /nfs/dbraw/zinc/63/65/84/923636584.db2.gz ZVNJVMMGJLUZMP-TUAOUCFPSA-N 2 0 277.372 -0.185 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)C[NH+](C)C)C[C@@H]2[NH3+])c1 ZINC001549735153 923636606 /nfs/dbraw/zinc/63/66/06/923636606.db2.gz FDMTYKDSHODFER-ZJUUUORDSA-N 2 0 251.334 -0.765 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)C(C)(C)C[NH3+])C[C@H]2[NH3+])c1 ZINC001549736792 923636822 /nfs/dbraw/zinc/63/68/22/923636822.db2.gz WQSHRROCMNVQGB-NXEZZACHSA-N 2 0 265.361 -0.342 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH3+])C2)O1 ZINC001549741285 923638705 /nfs/dbraw/zinc/63/87/05/923638705.db2.gz YXXUEFQYZVDDPR-PRULPYPASA-N 2 0 293.371 -0.950 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549745568 923638798 /nfs/dbraw/zinc/63/87/98/923638798.db2.gz ZRKWCDWDUGFMAY-UTLUCORTSA-N 2 0 251.334 -0.732 20 0 CBADRP [NH3+]C1CC(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001549739285 923638995 /nfs/dbraw/zinc/63/89/95/923638995.db2.gz OWBNBWNMRUUCSX-CXHDDBMJSA-N 2 0 294.399 -0.513 20 0 CBADRP Cn1cnc([C@H]2CN(C(=O)CC3(C[NH3+])CC3)C[C@H]2[NH3+])c1 ZINC001549744703 923639008 /nfs/dbraw/zinc/63/90/08/923639008.db2.gz WNFGVNUDAFISDI-WDEREUQCSA-N 2 0 277.372 -0.198 20 0 CBADRP [NH3+]C[C@H](C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1)C1CCOCC1 ZINC001549750987 923641866 /nfs/dbraw/zinc/64/18/66/923641866.db2.gz KCUCRYXQRNJDPA-IHRRRGAJSA-N 2 0 297.399 -0.423 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)Nc1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001549747156 923643006 /nfs/dbraw/zinc/64/30/06/923643006.db2.gz RLOKYBTVCLVTCJ-VHSXEESVSA-N 2 0 279.344 -0.196 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)Nc1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001549747154 923643191 /nfs/dbraw/zinc/64/31/91/923643191.db2.gz RLOKYBTVCLVTCJ-UWVGGRQHSA-N 2 0 279.344 -0.196 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC[C@H]21 ZINC001549883196 923644034 /nfs/dbraw/zinc/64/40/34/923644034.db2.gz LENDLJLYJOKTHS-JHJVBQTASA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@]12C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]1C[NH2+]CCOC1)C2 ZINC001549899084 923644083 /nfs/dbraw/zinc/64/40/83/923644083.db2.gz MVHJDVLQFHVFHR-MRVWCRGKSA-N 2 0 267.373 -0.320 20 0 CBADRP CC(=O)N1CC[C@@]([NH3+])(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC001549900138 923644732 /nfs/dbraw/zinc/64/47/32/923644732.db2.gz AKGKASLIKIUVSP-DOMZBBRYSA-N 2 0 296.415 -0.170 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[C@]2(C(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)C1 ZINC001549901592 923646585 /nfs/dbraw/zinc/64/65/85/923646585.db2.gz DTHMKUKOBBZZMK-SKENRDBWSA-N 2 0 265.357 -0.297 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@]12CCC[C@H]1C[NH2+]C2 ZINC001549901501 923646887 /nfs/dbraw/zinc/64/68/87/923646887.db2.gz AOURAVJGXDEQRY-SGMGOOAPSA-N 2 0 267.373 -0.129 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@]23C[C@@H]2C[C@H]([NH3+])C3)CCCO1 ZINC001549902059 923646915 /nfs/dbraw/zinc/64/69/15/923646915.db2.gz FKUWBQZKPQULOO-MEWQQHAOSA-N 2 0 253.346 -0.310 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[C@]2(C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)C1 ZINC001549901593 923647321 /nfs/dbraw/zinc/64/73/21/923647321.db2.gz DTHMKUKOBBZZMK-SSKLVLDBSA-N 2 0 265.357 -0.297 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC001549900177 923647615 /nfs/dbraw/zinc/64/76/15/923647615.db2.gz XKFOCJIYTBTERW-DGCLKSJQSA-N 2 0 298.431 -0.020 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[C@]2(C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC001549901519 923648109 /nfs/dbraw/zinc/64/81/09/923648109.db2.gz JFFPEZCEFREQKM-UZWSLXQKSA-N 2 0 253.346 -0.392 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[C@]2(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC001549901692 923648645 /nfs/dbraw/zinc/64/86/45/923648645.db2.gz OMMKUQXEZGTZAU-BHPKHCPMSA-N 2 0 278.400 -0.380 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1n1ccnn1 ZINC001549951643 923655696 /nfs/dbraw/zinc/65/56/96/923655696.db2.gz USRUZISKGNXGLW-QWHCGFSZSA-N 2 0 292.387 -0.313 20 0 CBADRP C[NH+](C)[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1n1ccnn1 ZINC001549951640 923656323 /nfs/dbraw/zinc/65/63/23/923656323.db2.gz USRUZISKGNXGLW-CHWSQXEVSA-N 2 0 292.387 -0.313 20 0 CBADRP O=C(CCC1C[NH2+]C1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001550061185 923663094 /nfs/dbraw/zinc/66/30/94/923663094.db2.gz WKNZBPXHSXQXFP-VXGBXAGGSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)C1(F)F ZINC001550060327 923664570 /nfs/dbraw/zinc/66/45/70/923664570.db2.gz IGQHFFPDJJKIIV-ZYUZMQFOSA-N 2 0 275.299 -0.584 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)[C@@H]1OCC[C@@H]1[NH3+])C2 ZINC001550069407 923666544 /nfs/dbraw/zinc/66/65/44/923666544.db2.gz SLLZTFMJYPSQQZ-XZUYRWCXSA-N 2 0 253.346 -0.310 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@H]1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001550073521 923667310 /nfs/dbraw/zinc/66/73/10/923667310.db2.gz NDBDGCQKOJVVNW-HBNTYKKESA-N 2 0 253.346 -0.249 20 0 CBADRP O=C(NC[C@@H]1CC12CC[NH2+]CC2)[C@H]1C[C@H](O)C[NH2+]1 ZINC001550084417 923669975 /nfs/dbraw/zinc/66/99/75/923669975.db2.gz DCCMVQPUYQMSCI-GARJFASQSA-N 2 0 253.346 -0.785 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H]2CC23CC[NH2+]CC3)C[NH2+]CCO1 ZINC001550079892 923670358 /nfs/dbraw/zinc/67/03/58/923670358.db2.gz GCUCQDGPBOVYGO-SWLSCSKDSA-N 2 0 297.399 -0.503 20 0 CBADRP C[C@@H](C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1)[NH+](C)C ZINC001550088229 923672287 /nfs/dbraw/zinc/67/22/87/923672287.db2.gz OSNIOFQRONZKEQ-ONGXEEELSA-N 2 0 266.349 -0.621 20 0 CBADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@@H]1CCCC[NH2+]C1 ZINC001550088199 923672753 /nfs/dbraw/zinc/67/27/53/923672753.db2.gz OAJBKUUTFPIMRS-YPMHNXCESA-N 2 0 292.387 -0.182 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001550090194 923674433 /nfs/dbraw/zinc/67/44/33/923674433.db2.gz PXWVTZKSJMYOSB-RWMBFGLXSA-N 2 0 267.373 -0.049 20 0 CBADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1CCC[NH2+]1 ZINC001550088461 923675613 /nfs/dbraw/zinc/67/56/13/923675613.db2.gz PSTKMJGTUNYMGN-MNOVXSKESA-N 2 0 264.333 -0.819 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001550090104 923675820 /nfs/dbraw/zinc/67/58/20/923675820.db2.gz UYTJMJMGPSEJQC-OLZOCXBDSA-N 2 0 285.388 -0.423 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]1C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001550090889 923675966 /nfs/dbraw/zinc/67/59/66/923675966.db2.gz ZZDAIFMEMSFBFX-MGPQQGTHSA-N 2 0 297.399 -0.280 20 0 CBADRP CCC[C@@H]([NH3+])C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550088497 923676129 /nfs/dbraw/zinc/67/61/29/923676129.db2.gz PUXAPKGCSOKIJI-WDEREUQCSA-N 2 0 266.349 -0.444 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](n3cc(C[NH3+])nn3)C2)C1 ZINC001550095246 923678364 /nfs/dbraw/zinc/67/83/64/923678364.db2.gz HRRZWJNLPGJFDQ-WCQYABFASA-N 2 0 292.387 -0.148 20 0 CBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3C[C@H]3[NH3+])CC2)C1=O ZINC001550092849 923678746 /nfs/dbraw/zinc/67/87/46/923678746.db2.gz PKTRLSKYABXFLW-TUAOUCFPSA-N 2 0 280.372 -0.855 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@H](n3cc(C[NH3+])nn3)C2)CCC[NH2+]C1 ZINC001550094643 923678941 /nfs/dbraw/zinc/67/89/41/923678941.db2.gz XQADHHABHPWCPB-GXTWGEPZSA-N 2 0 292.387 -0.100 20 0 CBADRP C[C@H](C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1)[NH+](C)C ZINC001550096222 923678852 /nfs/dbraw/zinc/67/88/52/923678852.db2.gz ZOKXYHFYIGNNIQ-KOLCDFICSA-N 2 0 266.349 -0.540 20 0 CBADRP C[C@@H]([NH3+])CC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001550092856 923679256 /nfs/dbraw/zinc/67/92/56/923679256.db2.gz PPYJGIYBGIRZPT-PWSUYJOCSA-N 2 0 282.388 -0.465 20 0 CBADRP C[NH2+]CCC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001550092503 923679520 /nfs/dbraw/zinc/67/95/20/923679520.db2.gz IANTXHBLXQIBSL-GFCCVEGCSA-N 2 0 282.388 -0.593 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001550094935 923679601 /nfs/dbraw/zinc/67/96/01/923679601.db2.gz ANRGWADXFODLIE-QWRGUYRKSA-N 2 0 278.360 -0.492 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001550097060 923681754 /nfs/dbraw/zinc/68/17/54/923681754.db2.gz XSKDHXQSVZGLOY-MNOVXSKESA-N 2 0 266.349 -0.492 20 0 CBADRP C[NH+]1CCC(n2cc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cn2)CC1 ZINC001550098158 923682019 /nfs/dbraw/zinc/68/20/19/923682019.db2.gz LVDPISIEZIUFSV-CHWSQXEVSA-N 2 0 293.371 -0.189 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@H](n3cc(C[NH3+])nn3)C2)CC[NH2+]C1 ZINC001550097329 923682317 /nfs/dbraw/zinc/68/23/17/923682317.db2.gz KMWUUMXIAKKUTH-WCQYABFASA-N 2 0 278.360 -0.490 20 0 CBADRP CC(=O)N1CC[C@]([NH3+])(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC001550103749 923684427 /nfs/dbraw/zinc/68/44/27/923684427.db2.gz ISPQDEYINHXFBD-GZBFAFLISA-N 2 0 294.399 -0.511 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@H]3[NH3+])CC[C@@H]21 ZINC001550105129 923684783 /nfs/dbraw/zinc/68/47/83/923684783.db2.gz YOSYHDGZOOWJQG-WISYIIOYSA-N 2 0 253.346 -0.345 20 0 CBADRP COc1ccc([C@H]2CN(C(=O)C3(O)C[NH2+]C3)C[C@@H]2[NH3+])cc1 ZINC001550103482 923684870 /nfs/dbraw/zinc/68/48/70/923684870.db2.gz BZIHRDFHLWEFCD-OLZOCXBDSA-N 2 0 291.351 -0.717 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001550110106 923687203 /nfs/dbraw/zinc/68/72/03/923687203.db2.gz FAMHXHYXQVQREG-NQBHXWOUSA-N 2 0 290.371 -0.221 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4C[C@@H]4[NH2+]3)C2)CC1 ZINC001550117003 923688902 /nfs/dbraw/zinc/68/89/02/923688902.db2.gz SXYGNRGXZMFKGA-CRWXNKLISA-N 2 0 278.400 -0.415 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)[C@]3(C)CCC[NH2+]3)C2)CC1 ZINC001550117420 923688925 /nfs/dbraw/zinc/68/89/25/923688925.db2.gz ZXRNTNLDAWDPIP-ZFWWWQNUSA-N 2 0 280.416 -0.023 20 0 CBADRP [NH3+]CC12CC(NC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)(C1)C2 ZINC001550118203 923689312 /nfs/dbraw/zinc/68/93/12/923689312.db2.gz PXRSHIFWEVDWFD-YWBBTBBSSA-N 2 0 265.357 -0.153 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)CC3(C[NH3+])CC3)C2)CC1 ZINC001550116996 923689595 /nfs/dbraw/zinc/68/95/95/923689595.db2.gz SVCHHKSNMWRHBL-ZDUSSCGKSA-N 2 0 280.416 -0.036 20 0 CBADRP C[NH2+]CCC(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550117247 923691359 /nfs/dbraw/zinc/69/13/59/923691359.db2.gz XJJZGKHDZMKXDW-GFCCVEGCSA-N 2 0 254.378 -0.556 20 0 CBADRP C[NH2+][C@H](C)C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550117272 923691383 /nfs/dbraw/zinc/69/13/83/923691383.db2.gz XRTBVINUVAUZOS-NEPJUHHUSA-N 2 0 254.378 -0.557 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C2)CC1 ZINC001550117006 923691973 /nfs/dbraw/zinc/69/19/73/923691973.db2.gz SXYGNRGXZMFKGA-SYQHCUMBSA-N 2 0 278.400 -0.415 20 0 CBADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC001550121842 923696815 /nfs/dbraw/zinc/69/68/15/923696815.db2.gz BDWAESAISJMJGY-FRRDWIJNSA-N 2 0 294.399 -0.450 20 0 CBADRP OC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC001550148383 923699419 /nfs/dbraw/zinc/69/94/19/923699419.db2.gz NAFRGZFKTKADJA-YHUYYLMFSA-N 2 0 295.427 -0.010 20 0 CBADRP CC(=O)N1C[C@@H]2C[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)C[C@H]2C1 ZINC001550174466 923703694 /nfs/dbraw/zinc/70/36/94/923703694.db2.gz KQSNDQGTPBZWSH-IHRRRGAJSA-N 2 0 279.384 -0.083 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3C[NH2+]CC3(C)C)C[C@@H]2[NH3+])cn1 ZINC001550188148 923706427 /nfs/dbraw/zinc/70/64/27/923706427.db2.gz TZBSGWOZTPOQBJ-XQQFMLRXSA-N 2 0 291.399 -0.081 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001550188780 923706496 /nfs/dbraw/zinc/70/64/96/923706496.db2.gz NUJZHTCMFQJEQK-STQMWFEESA-N 2 0 285.388 -0.423 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001550183987 923707640 /nfs/dbraw/zinc/70/76/40/923707640.db2.gz PPDNBOCCNCTHLW-FRRDWIJNSA-N 2 0 285.388 -0.295 20 0 CBADRP [NH3+][C@@H](CC1CC1)C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550190375 923709014 /nfs/dbraw/zinc/70/90/14/923709014.db2.gz UPQMRKDGQUMFGD-RYUDHWBXSA-N 2 0 278.360 -0.444 20 0 CBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N2C[C@@H](N)[C@H]([NH3+])C2)C1 ZINC001550274481 923712482 /nfs/dbraw/zinc/71/24/82/923712482.db2.gz GMQIDCRXEYXCJW-HBNTYKKESA-N 2 0 269.393 -0.556 20 0 CBADRP [NH3+]C[C@@H]1CCCN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001550266955 923712779 /nfs/dbraw/zinc/71/27/79/923712779.db2.gz QKSDMBAKWQLLKD-WDEREUQCSA-N 2 0 256.350 -0.502 20 0 CBADRP N[C@@H]1CN(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C[C@@H]1[NH3+] ZINC001550290151 923716533 /nfs/dbraw/zinc/71/65/33/923716533.db2.gz VIKZGIQZIRJARF-MCIONIFRSA-N 2 0 289.383 -0.619 20 0 CBADRP [NH3+][C@H]1COCC[C@@H]1NC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550284056 923717424 /nfs/dbraw/zinc/71/74/24/923717424.db2.gz GJJMEQHMESCKJK-DMGDTADUSA-N 2 0 282.388 -0.068 20 0 CBADRP [NH3+][C@H]1C[C@@H]([NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)[C@@H](O)C1 ZINC001550437630 923728907 /nfs/dbraw/zinc/72/89/07/923728907.db2.gz WFZAEEXYABXRJC-XQLPTFJDSA-N 3 0 283.416 -0.073 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC001550720655 923737144 /nfs/dbraw/zinc/73/71/44/923737144.db2.gz LFAYYBLVKBYQFL-OWTLIXCDSA-N 2 0 265.357 -0.140 20 0 CBADRP O[C@@H]1C[C@@H]2CN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC[N@@H+]2C1 ZINC001550704392 923737557 /nfs/dbraw/zinc/73/75/57/923737557.db2.gz YRCDLDJUKWCDCM-TUVASFSCSA-N 2 0 281.400 -0.494 20 0 CBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]3OCC[C@@H]3[NH2+]1)C2 ZINC001550724050 923737711 /nfs/dbraw/zinc/73/77/11/923737711.db2.gz UYXNMADKHXFTJX-FGPLHTHASA-N 2 0 265.357 -0.154 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001550720784 923738039 /nfs/dbraw/zinc/73/80/39/923738039.db2.gz LUCHORHLDXHKME-WHOHXGKFSA-N 2 0 269.345 -1.000 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001550717892 923738362 /nfs/dbraw/zinc/73/83/62/923738362.db2.gz BUEXHNRQSYNOTB-CRWXNKLISA-N 2 0 294.399 -0.988 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC001550731462 923741704 /nfs/dbraw/zinc/74/17/04/923741704.db2.gz MOHJVFLDXLZRMY-NEPJUHHUSA-N 2 0 270.377 -0.255 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)NC[C@@H]3C[NH2+]CCCO3)C[C@@]2(C)C1 ZINC001550730195 923741755 /nfs/dbraw/zinc/74/17/55/923741755.db2.gz FQJMBGFZBRVKQD-VNHYZAJKSA-N 2 0 296.415 -0.042 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001550732851 923741904 /nfs/dbraw/zinc/74/19/04/923741904.db2.gz UOONTZQRBGZFGP-MNOVXSKESA-N 2 0 270.377 -0.338 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001550733907 923743432 /nfs/dbraw/zinc/74/34/32/923743432.db2.gz XNEROOBRSSRKPZ-UTUOFQBUSA-N 2 0 270.377 -0.480 20 0 CBADRP [NH3+][C@H]1CCOC[C@@H]1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC001550745348 923743857 /nfs/dbraw/zinc/74/38/57/923743857.db2.gz RWCGWSMVXSPYBT-QLWZBITOSA-N 2 0 254.334 -0.846 20 0 CBADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CC[NH2+]C[C@@H](O)C1 ZINC001550738822 923744045 /nfs/dbraw/zinc/74/40/45/923744045.db2.gz CSOMUCOZJDIMOT-MCIONIFRSA-N 2 0 296.415 -0.021 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001550740650 923744602 /nfs/dbraw/zinc/74/46/02/923744602.db2.gz GEZQCAAZIBWMLK-MQYJIDSJSA-N 2 0 294.399 -0.194 20 0 CBADRP [NH3+]C1CC(CCNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC001550736122 923744697 /nfs/dbraw/zinc/74/46/97/923744697.db2.gz PHXKXBZYXBAOSB-HTAVTVPLSA-N 2 0 270.377 -0.209 20 0 CBADRP CO[C@@H]1C[C@H](C[NH3+])N(C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC001550736890 923744715 /nfs/dbraw/zinc/74/47/15/923744715.db2.gz RXLYKHIROITIQV-UTUOFQBUSA-N 2 0 286.376 -0.878 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001550741778 923744899 /nfs/dbraw/zinc/74/48/99/923744899.db2.gz CQBZVSJUBPNGBX-NEPJUHHUSA-N 2 0 282.388 -0.099 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CC[NH2+]C[C@@H](O)C2)C1 ZINC001550748817 923746408 /nfs/dbraw/zinc/74/64/08/923746408.db2.gz VMWPSYNBSGDMSF-VXGBXAGGSA-N 2 0 284.404 -0.260 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550754513 923747160 /nfs/dbraw/zinc/74/71/60/923747160.db2.gz AYCLAKBNFPVRIF-VXGBXAGGSA-N 2 0 282.388 -0.194 20 0 CBADRP [NH3+][C@H]1CCOC[C@@H]1NC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550750550 923747257 /nfs/dbraw/zinc/74/72/57/923747257.db2.gz MYWBJVNYGKMELZ-DMGDTADUSA-N 2 0 282.388 -0.068 20 0 CBADRP C[C@H]([NH3+])CNC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550755663 923748751 /nfs/dbraw/zinc/74/87/51/923748751.db2.gz KARRSECJAXIHHQ-WDEREUQCSA-N 2 0 270.377 -0.209 20 0 CBADRP [NH3+][C@H]1C[C@@H](N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)[C@@H](O)C1 ZINC001550934962 923756303 /nfs/dbraw/zinc/75/63/03/923756303.db2.gz OMUOJYJMVWTUSQ-GZFHQYITSA-N 3 0 294.443 -0.262 20 0 CBADRP NC(=O)[C@]12CCC[C@@H]1C[N@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC001551395353 923773172 /nfs/dbraw/zinc/77/31/72/923773172.db2.gz RBAKEQDRKFDPCO-XUJVJEKNSA-N 2 0 279.384 -0.048 20 0 CBADRP CNC(=O)[C@@]12C[N@@H+]([C@@H]3CC[NH2+]C3)C[C@@H]1COCC2 ZINC001551414063 923782012 /nfs/dbraw/zinc/78/20/12/923782012.db2.gz XLMBYBDCBVQKKN-WZRBSPASSA-N 2 0 253.346 -0.567 20 0 CBADRP COC[C@@H]([NH3+])C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001551460588 923795636 /nfs/dbraw/zinc/79/56/36/923795636.db2.gz AVWCPQUGGYZACR-LLVKDONJSA-N 2 0 271.361 -0.669 20 0 CBADRP [NH3+][C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C12CCOCC2 ZINC001551463509 923795811 /nfs/dbraw/zinc/79/58/11/923795811.db2.gz IGEVKIBBBSYGDM-SJHCENCUSA-N 2 0 295.383 -0.482 20 0 CBADRP O=C([C@H]1CC[NH2+]C1)N1CC[NH2+]CCC12CCOCC2 ZINC001551458544 923796266 /nfs/dbraw/zinc/79/62/66/923796266.db2.gz NGWZAZOEGFEOFI-LBPRGKRZSA-N 2 0 267.373 -0.033 20 0 CBADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)N1CCOC[C@@H]([NH3+])C1 ZINC001551479637 923797689 /nfs/dbraw/zinc/79/76/89/923797689.db2.gz BPKXNKFZLYJVGV-IACUBPJLSA-N 2 0 290.367 -0.020 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC12CCOCC2 ZINC001551466284 923797902 /nfs/dbraw/zinc/79/79/02/923797902.db2.gz RWSGXKZSEGOFMN-MROQNXINSA-N 2 0 295.383 -0.528 20 0 CBADRP [NH3+][C@@H]1c2ccccc2C[C@@H]1NC(=O)N1CC[NH2+]C[C@H](O)C1 ZINC001551485275 923798285 /nfs/dbraw/zinc/79/82/85/923798285.db2.gz DIYNPOZSZXZESQ-FPMFFAJLSA-N 2 0 290.367 -0.413 20 0 CBADRP [NH3+][C@@H]1c2ccccc2C[C@@H]1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001551501904 923800199 /nfs/dbraw/zinc/80/01/99/923800199.db2.gz FXLCFYDDVCLRAA-FPMFFAJLSA-N 2 0 290.367 -0.101 20 0 CBADRP C[N@@H+]1[C@H](CO)C[C@@H]2CN(C(=O)NC3CC4(C[C@@H]4[NH3+])C3)C[C@H]21 ZINC001551586280 923804435 /nfs/dbraw/zinc/80/44/35/923804435.db2.gz MPLVUXAXVFEYGO-RBPLVZGOSA-N 2 0 294.399 -0.427 20 0 CBADRP [NH3+][C@@H]1CC12CC(NC(=O)N1C[C@@H]3CC[C@]3([NH3+])C1)C2 ZINC001551569386 923804553 /nfs/dbraw/zinc/80/45/53/923804553.db2.gz OTAANKGTSYNWCD-IJVWLIPTSA-N 2 0 250.346 -0.001 20 0 CBADRP CCO[C@@H]1CN(C(=O)NC2CC3(C[C@H]3[NH3+])C2)C[C@H]1C[NH3+] ZINC001551576338 923805055 /nfs/dbraw/zinc/80/50/55/923805055.db2.gz POUZFCCQUNCTDW-BCXZHAGTSA-N 2 0 282.388 -0.129 20 0 CBADRP [NH3+][C@H]1CC12CC(NC(=O)N1C[C@H]3C[NH2+]C[C@H]3C1)C2 ZINC001551607124 923807420 /nfs/dbraw/zinc/80/74/20/923807420.db2.gz MWKBSSKVFFAWDH-GOZORUHBSA-N 2 0 250.346 -0.273 20 0 CBADRP [NH3+][C@@H]1CC12CC(NC(=O)N1C[C@H]3C[NH2+]C[C@@H]3C1)C2 ZINC001551607141 923807722 /nfs/dbraw/zinc/80/77/22/923807722.db2.gz MWKBSSKVFFAWDH-ICCVDXIISA-N 2 0 250.346 -0.273 20 0 CBADRP CC(C)(O)C[NH+]1CCN(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)CC1 ZINC001551594277 923808036 /nfs/dbraw/zinc/80/80/36/923808036.db2.gz PSWDZBGDOKEDAC-AVERBVTBSA-N 2 0 296.415 -0.036 20 0 CBADRP C[C@@H]1CN(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)C[C@@H](C)[NH+]1CCO ZINC001551604300 923808622 /nfs/dbraw/zinc/80/86/22/923808622.db2.gz GBLPDHHLGWYPNM-XSDWYMGYSA-N 2 0 296.415 -0.037 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)C[C@H]1C ZINC001551590970 923809453 /nfs/dbraw/zinc/80/94/53/923809453.db2.gz OCNIXVGSARQDPO-BUGODDKZSA-N 2 0 296.415 -0.037 20 0 CBADRP [NH3+][C@@H]1CC12CC(NC(=O)N1C[C@H]3C[NH2+]C[C@H]3C1)C2 ZINC001551607152 923809798 /nfs/dbraw/zinc/80/97/98/923809798.db2.gz MWKBSSKVFFAWDH-VYPUOHMVSA-N 2 0 250.346 -0.273 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cnn1C ZINC001552085932 923826938 /nfs/dbraw/zinc/82/69/38/923826938.db2.gz CGNQELWLMNWIRT-PYJNHQTQSA-N 2 0 291.399 -0.020 20 0 CBADRP C[NH+](C)[C@@H]1CCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC001552088020 923827774 /nfs/dbraw/zinc/82/77/74/923827774.db2.gz POFCFFRYTKBMLH-WDEREUQCSA-N 2 0 278.360 -0.411 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)N[C@H]3CCC[NH2+]C3)C[C@@H]2[NH3+])cn1 ZINC001552095171 923831634 /nfs/dbraw/zinc/83/16/34/923831634.db2.gz WFZQMSKPXZEYDL-AVGNSLFASA-N 2 0 292.387 -0.392 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cnn1C ZINC001552091553 923832130 /nfs/dbraw/zinc/83/21/30/923832130.db2.gz ZCUQRMAYHUZRFS-IGJVIKARSA-N 2 0 291.399 -0.163 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001552107298 923833688 /nfs/dbraw/zinc/83/36/88/923833688.db2.gz KWUIRMQXSVZTGY-XQQFMLRXSA-N 2 0 294.403 -0.161 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)NCC3([NH3+])CCC3)C[C@H]2[NH3+])cn1 ZINC001552107280 923834122 /nfs/dbraw/zinc/83/41/22/923834122.db2.gz KWKUFLMGYRPXPX-VXGBXAGGSA-N 2 0 292.387 -0.262 20 0 CBADRP CN(C(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[C@@H]1CC[NH2+]C1 ZINC001552160873 923839857 /nfs/dbraw/zinc/83/98/57/923839857.db2.gz MUQAVQZRLJEQPT-ZJUUUORDSA-N 2 0 264.333 -0.754 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552160753 923839880 /nfs/dbraw/zinc/83/98/80/923839880.db2.gz JDDVAJDAJCXRHB-NXEZZACHSA-N 2 0 264.333 -0.624 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@H](C[NH3+])C2CC2)cnn1C ZINC001552161292 923840046 /nfs/dbraw/zinc/84/00/46/923840046.db2.gz MHXOUOLAHIXIOF-MELADBBJSA-N 2 0 291.399 -0.115 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552162575 923841447 /nfs/dbraw/zinc/84/14/47/923841447.db2.gz BPVBPNUWQWUCPG-LLVKDONJSA-N 2 0 278.360 -0.458 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001552163848 923841484 /nfs/dbraw/zinc/84/14/84/923841484.db2.gz KAQHWSQWVWYYBE-TUAOUCFPSA-N 2 0 290.371 -0.364 20 0 CBADRP [NH3+]Cc1ccccc1CNC(=O)[C@H]1C[NH2+]CCOC1 ZINC001552162686 923841575 /nfs/dbraw/zinc/84/15/75/923841575.db2.gz DWAKDHAWHZZLRQ-ZDUSSCGKSA-N 2 0 263.341 -0.003 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CCC[C@H]([NH3+])C2)cnn1C ZINC001552162742 923841653 /nfs/dbraw/zinc/84/16/53/923841653.db2.gz HGOFYFUIRAAYIU-UBHSHLNASA-N 2 0 291.399 -0.019 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]CC1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552163539 923841846 /nfs/dbraw/zinc/84/18/46/923841846.db2.gz HERHDELBQYIIPM-WDEREUQCSA-N 2 0 278.360 -0.316 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552163303 923842179 /nfs/dbraw/zinc/84/21/79/923842179.db2.gz FCBOTLDSAZTGEV-CIUDSAMLSA-N 2 0 252.322 -0.722 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CC[NH2+]CC2)cnn1C ZINC001552162829 923842307 /nfs/dbraw/zinc/84/23/07/923842307.db2.gz IDMRQESOXQDQJN-STQMWFEESA-N 2 0 277.372 -0.537 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H](C)CC[NH3+])cnn1C ZINC001552162137 923842334 /nfs/dbraw/zinc/84/23/34/923842334.db2.gz WAAYNAIVXJMMTI-XDTLVQLUSA-N 2 0 279.388 -0.115 20 0 CBADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NCCC[NH3+])cnn1C ZINC001552162596 923842387 /nfs/dbraw/zinc/84/23/87/923842387.db2.gz BSAOSOJDUARZSP-NEPJUHHUSA-N 2 0 265.361 -0.503 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CC[C@H](C[NH3+])C2)cnn1C ZINC001552163333 923842800 /nfs/dbraw/zinc/84/28/00/923842800.db2.gz NTBHXQBRMSMPON-KWCYVHTRSA-N 2 0 291.399 -0.161 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]C1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552162996 923843235 /nfs/dbraw/zinc/84/32/35/923843235.db2.gz INKKGJAQSXFMGM-GHMZBOCLSA-N 2 0 278.360 -0.458 20 0 CBADRP Cc1c([C@H]2C[NH2+]C[C@H]2C(=O)NC2CC[NH2+]CC2)cnn1C ZINC001552162538 923843287 /nfs/dbraw/zinc/84/32/87/923843287.db2.gz BDDPHPMVOOJATF-ZIAGYGMSSA-N 2 0 291.399 -0.100 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552164479 923844759 /nfs/dbraw/zinc/84/47/59/923844759.db2.gz VXXXRQILQMTPJC-IUCAKERBSA-N 2 0 252.322 -0.720 20 0 CBADRP CC1(C)C[NH2+][C@H]1CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552164556 923844792 /nfs/dbraw/zinc/84/47/92/923844792.db2.gz XCLZXGFYQKPMFV-KOLCDFICSA-N 2 0 278.360 -0.460 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H](C)[C@@H](C)[NH3+])cnn1C ZINC001552164147 923844859 /nfs/dbraw/zinc/84/48/59/923844859.db2.gz OCPCGVASCOIMIV-PSJXJDHFSA-N 2 0 279.388 -0.117 20 0 CBADRP CC1(C)C[NH2+][C@@H]1CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552164557 923845301 /nfs/dbraw/zinc/84/53/01/923845301.db2.gz XCLZXGFYQKPMFV-MWLCHTKSSA-N 2 0 278.360 -0.460 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC001552167940 923845492 /nfs/dbraw/zinc/84/54/92/923845492.db2.gz ZWUHWZYPBRGGMP-MNOVXSKESA-N 2 0 278.360 -0.506 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552164165 923845588 /nfs/dbraw/zinc/84/55/88/923845588.db2.gz OUWKWRRUTZVJQG-OUAUKWLOSA-N 2 0 278.360 -0.460 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552199823 923854970 /nfs/dbraw/zinc/85/49/70/923854970.db2.gz KKDOLEMWRPXEGE-SMDDNHRTSA-N 2 0 267.373 -0.177 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552199755 923855452 /nfs/dbraw/zinc/85/54/52/923855452.db2.gz IJZJZSFNFBWFBL-KYEXWDHISA-N 2 0 279.384 -0.035 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)C[N@@H+]1C1CC1 ZINC001552199927 923855786 /nfs/dbraw/zinc/85/57/86/923855786.db2.gz GAVLWSYINNVWLP-FJJYHAOUSA-N 2 0 279.384 -0.036 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552200231 923855836 /nfs/dbraw/zinc/85/58/36/923855836.db2.gz NQSWFYUJVZRXGH-BHPKHCPMSA-N 2 0 279.384 -0.035 20 0 CBADRP O=C(NC1CC[NH+](C2CC2)CC1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552199930 923856151 /nfs/dbraw/zinc/85/61/51/923856151.db2.gz LVRFAPPJJUFVFG-IAQYHMDHSA-N 2 0 279.384 -0.035 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C[N@@H+]1C1CC1 ZINC001552199974 923856876 /nfs/dbraw/zinc/85/68/76/923856876.db2.gz GAVLWSYINNVWLP-MCYUEQNJSA-N 2 0 279.384 -0.036 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC[N@@H+]1C ZINC001552201757 923858245 /nfs/dbraw/zinc/85/82/45/923858245.db2.gz WWNLOMZPAOWVRQ-HKUMRIAESA-N 2 0 267.373 -0.179 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552200986 923859613 /nfs/dbraw/zinc/85/96/13/923859613.db2.gz YPBFQYQNAMEOLA-DMDPSCGWSA-N 2 0 253.346 -0.567 20 0 CBADRP CC(C)[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC[NH2+]1 ZINC001552203093 923861776 /nfs/dbraw/zinc/86/17/76/923861776.db2.gz VRHGNPRFXRSGIC-MBNYWOFBSA-N 2 0 267.373 -0.321 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552202472 923862051 /nfs/dbraw/zinc/86/20/51/923862051.db2.gz GTTLDJYBYIKFEV-DCQANWLSSA-N 2 0 253.346 -0.663 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552202211 923862066 /nfs/dbraw/zinc/86/20/66/923862066.db2.gz FAKYAWILTIXTLS-NOHGZBONSA-N 2 0 253.346 -0.521 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]CC1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552202883 923862093 /nfs/dbraw/zinc/86/20/93/923862093.db2.gz RYPXWJBFAOXENQ-DMDPSCGWSA-N 2 0 253.346 -0.519 20 0 CBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552202496 923862318 /nfs/dbraw/zinc/86/23/18/923862318.db2.gz HIRCEGICWARJGR-GYSYKLTISA-N 2 0 265.357 -0.519 20 0 CBADRP O=C(Nc1ccn([C@@H]2CC[NH2+]C2)n1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552203078 923863261 /nfs/dbraw/zinc/86/32/61/923863261.db2.gz VILKTWNUBGFLFU-MISXGVKJSA-N 2 0 291.355 -0.408 20 0 CBADRP CC1(C)CN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC[NH2+]1 ZINC001552205157 923864812 /nfs/dbraw/zinc/86/48/12/923864812.db2.gz ZIPJPRXKNKNKQQ-GXFFZTMASA-N 2 0 253.346 -0.567 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CCO1 ZINC001552203570 923865373 /nfs/dbraw/zinc/86/53/73/923865373.db2.gz FZUFRIWOZDXMJC-YRGRVCCFSA-N 2 0 283.372 -0.989 20 0 CBADRP CC1(C)CN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC[NH2+]1 ZINC001552205159 923865416 /nfs/dbraw/zinc/86/54/16/923865416.db2.gz ZIPJPRXKNKNKQQ-MFKMUULPSA-N 2 0 253.346 -0.567 20 0 CBADRP C[NH+](C)C1CC(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552210566 923867552 /nfs/dbraw/zinc/86/75/52/923867552.db2.gz GRDSSVGHQYORKL-KMMRNIFNSA-N 2 0 267.373 -0.321 20 0 CBADRP C[C@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1COC2)[NH+]1CCCC1 ZINC001552205974 923867663 /nfs/dbraw/zinc/86/76/63/923867663.db2.gz WBMCGZODVHJEPK-BZPMIXESSA-N 2 0 267.373 -0.177 20 0 CBADRP C[NH+](C)C1CC(CNC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC001552210833 923868243 /nfs/dbraw/zinc/86/82/43/923868243.db2.gz QDCWYMVEBDBWFX-MOENNCHZSA-N 2 0 255.362 -0.321 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH2+]CC3)CCN2C1=O ZINC001552212614 923868739 /nfs/dbraw/zinc/86/87/39/923868739.db2.gz AUYDNDDZMMMABN-GRYCIOLGSA-N 2 0 280.372 -0.854 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552214992 923868769 /nfs/dbraw/zinc/86/87/69/923868769.db2.gz ACGTYLQETCGUHM-IUCAKERBSA-N 2 0 252.322 -0.850 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552214991 923869218 /nfs/dbraw/zinc/86/92/18/923869218.db2.gz ACGTYLQETCGUHM-DTWKUNHWSA-N 2 0 252.322 -0.850 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552205898 923869601 /nfs/dbraw/zinc/86/96/01/923869601.db2.gz SVXKQVCYUFPBKA-MBNYWOFBSA-N 2 0 267.373 -0.177 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552206047 923869663 /nfs/dbraw/zinc/86/96/63/923869663.db2.gz ZPQBBXSEZXESFS-SGMGOOAPSA-N 2 0 267.373 -0.368 20 0 CBADRP CN(C(=O)[C@@]12C[NH2+]C[C@@H]1COC2)[C@H]1CC[N@H+](C)C1 ZINC001552215371 923869777 /nfs/dbraw/zinc/86/97/77/923869777.db2.gz FZDJDOBDQHITEV-NTZNESFSSA-N 2 0 253.346 -0.615 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC[C@@H]1F ZINC001552216309 923870761 /nfs/dbraw/zinc/87/07/61/923870761.db2.gz PVKNSCRXJPQFST-LPEHRKFASA-N 2 0 282.323 -0.676 20 0 CBADRP C[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1C[NH2+]CCOC1 ZINC001552273187 923876534 /nfs/dbraw/zinc/87/65/34/923876534.db2.gz MIQWNHACTJEYTM-WISYIIOYSA-N 2 0 253.346 -0.569 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NCC2CC([NH3+])C2)cnn1C ZINC001552273446 923876967 /nfs/dbraw/zinc/87/69/67/923876967.db2.gz PUVBOMZUNZRNON-DZYMPVBWSA-N 2 0 291.399 -0.115 20 0 CBADRP C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC001552273186 923877053 /nfs/dbraw/zinc/87/70/53/923877053.db2.gz MIQWNHACTJEYTM-KKOKHZNYSA-N 2 0 253.346 -0.569 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552274091 923877648 /nfs/dbraw/zinc/87/76/48/923877648.db2.gz GJRCUQNNPOFYLX-UTLUCORTSA-N 2 0 264.333 -0.626 20 0 CBADRP O=C(N[C@H]1CCCC[NH2+]CC1)[C@@H]1C[NH2+]CCOC1 ZINC001552274338 923878113 /nfs/dbraw/zinc/87/81/13/923878113.db2.gz MHJGCWFXZHYQGH-NEPJUHHUSA-N 2 0 255.362 -0.129 20 0 CBADRP Nc1cc[nH+]c(CNC(=O)[C@H]2C[NH2+]CCOC2)c1 ZINC001552282875 923879121 /nfs/dbraw/zinc/87/91/21/923879121.db2.gz AOTKJPOKGKLMCW-VIFPVBQESA-N 2 0 250.302 -0.484 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC001552281855 923879498 /nfs/dbraw/zinc/87/94/98/923879498.db2.gz GHCKGRJKGAHPLG-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552283569 923879961 /nfs/dbraw/zinc/87/99/61/923879961.db2.gz MMNDXLONULCOMX-MPXOCVNLSA-N 2 0 253.346 -0.536 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552283563 923880100 /nfs/dbraw/zinc/88/01/00/923880100.db2.gz MMNDXLONULCOMX-DNJQJEMRSA-N 2 0 253.346 -0.536 20 0 CBADRP CCC1([NH3+])CCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC001552284216 923880466 /nfs/dbraw/zinc/88/04/66/923880466.db2.gz XAXLHVWWOKPPSW-LLVKDONJSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+][C@@H]1CCCCCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552276114 923880764 /nfs/dbraw/zinc/88/07/64/923880764.db2.gz HOUUFHKZMYFSBJ-OUCADQQQSA-N 2 0 267.373 -0.048 20 0 CBADRP N[C@@H]1CN(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001552293031 923882368 /nfs/dbraw/zinc/88/23/68/923882368.db2.gz NTLRGHWBBLNRLV-XJFOESAGSA-N 2 0 295.431 -0.212 20 0 CBADRP C[C@@H]([NH3+])CCNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001552292640 923882447 /nfs/dbraw/zinc/88/24/47/923882447.db2.gz VIHWWFNUNBQDEO-VXGBXAGGSA-N 2 0 269.393 -0.587 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC001552291748 923883357 /nfs/dbraw/zinc/88/33/57/923883357.db2.gz KMWWYUVPJBFOFM-MCIONIFRSA-N 2 0 295.431 -0.055 20 0 CBADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N1C[C@@H](N)[C@@H]([NH3+])C1 ZINC001552292282 923883518 /nfs/dbraw/zinc/88/35/18/923883518.db2.gz HIHQQEJSMBRHSX-LPWJVIDDSA-N 2 0 281.404 -0.365 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]1[NH+]1CC[C@@H](O)C1 ZINC001552311662 923885714 /nfs/dbraw/zinc/88/57/14/923885714.db2.gz DFGRGQLTNFXVJO-AAVRWANBSA-N 2 0 296.415 -0.023 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001552336590 923886389 /nfs/dbraw/zinc/88/63/89/923886389.db2.gz CRMIMRVAMIIDCG-HZSPNIEDSA-N 2 0 295.431 -0.469 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001552338810 923887613 /nfs/dbraw/zinc/88/76/13/923887613.db2.gz KGNPQIXESKGAIY-XEZLXBQYSA-N 2 0 292.387 -0.536 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N2CCCC[C@@H]3[C@@H]([NH3+])[C@H]32)CCCO1 ZINC001552340813 923888278 /nfs/dbraw/zinc/88/82/78/923888278.db2.gz BZVQIFCVJVGWQN-LPWJVIDDSA-N 2 0 282.388 -0.032 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCC[NH2+]C[C@@H]2F)CCCO1 ZINC001552338255 923888628 /nfs/dbraw/zinc/88/86/28/923888628.db2.gz ITWFBJWZYXSYJF-WOPDTQHZSA-N 2 0 288.367 -0.164 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001552353444 923891151 /nfs/dbraw/zinc/89/11/51/923891151.db2.gz PATLXQMEGWOJPB-CHWSQXEVSA-N 2 0 295.431 -0.327 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC001552417855 923895414 /nfs/dbraw/zinc/89/54/14/923895414.db2.gz GNKUAIBOROCMGN-SNVBAGLBSA-N 2 0 278.360 -0.234 20 0 CBADRP Cc1c(C(=O)N2CCC[C@H](C[NH3+])C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552418660 923895653 /nfs/dbraw/zinc/89/56/53/923895653.db2.gz JUWGNKYKCBWDSE-VXGBXAGGSA-N 2 0 292.387 -0.068 20 0 CBADRP Cc1c(C(=O)N2CC[NH2+]C[C@H]2C)nnn1[C@@H]1CC[NH2+]C1 ZINC001552419231 923896020 /nfs/dbraw/zinc/89/60/20/923896020.db2.gz LWEVVXUMHBDMFB-MWLCHTKSSA-N 2 0 278.360 -0.445 20 0 CBADRP C[C@@H]([NH3+])CCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001552418982 923896920 /nfs/dbraw/zinc/89/69/20/923896920.db2.gz CNHOXCWORUHFJB-SECBINFHSA-N 2 0 266.349 -0.330 20 0 CBADRP Cc1c(C(=O)N2CCC[NH2+]CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552418568 923897205 /nfs/dbraw/zinc/89/72/05/923897205.db2.gz OZDMEZAIRZGLCC-LLVKDONJSA-N 2 0 278.360 -0.444 20 0 CBADRP Cc1c(C(=O)N[C@@H](C[NH3+])C2CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552420271 923898189 /nfs/dbraw/zinc/89/81/89/923898189.db2.gz OMZPJWTWJRXPPX-QWRGUYRKSA-N 2 0 278.360 -0.412 20 0 CBADRP CN(C(=O)c1cnnn1C1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001552420600 923899600 /nfs/dbraw/zinc/89/96/00/923899600.db2.gz XKRANUGOTGFRSF-NSHDSACASA-N 2 0 278.360 -0.364 20 0 CBADRP Cc1c(C(=O)NCC(C)(C)[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552420409 923899792 /nfs/dbraw/zinc/89/97/92/923899792.db2.gz VZUBKTZKQVPZHY-VIFPVBQESA-N 2 0 266.349 -0.412 20 0 CBADRP Cc1c(C(=O)NC[C@@H](C)C[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552436862 923903645 /nfs/dbraw/zinc/90/36/45/923903645.db2.gz SYWLGKPQWFACDG-WPRPVWTQSA-N 2 0 266.349 -0.554 20 0 CBADRP C[N@@H+]1CCCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC001552436186 923904009 /nfs/dbraw/zinc/90/40/09/923904009.db2.gz AKXGXHUXKLDVAY-UHFFFAOYSA-N 2 0 292.387 -0.020 20 0 CBADRP Cc1c(C(=O)N2CCC[N@@H+](C)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552437104 923904296 /nfs/dbraw/zinc/90/42/96/923904296.db2.gz XPGRIMCUECFLDS-GFCCVEGCSA-N 2 0 292.387 -0.101 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+]C1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001552437083 923904728 /nfs/dbraw/zinc/90/47/28/923904728.db2.gz WZJJYJHWBJDMEG-ZJUUUORDSA-N 2 0 263.345 -0.174 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@H]2CCCC[NH2+]C2)CC1 ZINC001552436073 923905006 /nfs/dbraw/zinc/90/50/06/923905006.db2.gz YJWZEWBBARCICH-ZDUSSCGKSA-N 2 0 268.405 -0.260 20 0 CBADRP Cc1c(C(=O)NC[C@H](C)C[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552436859 923905503 /nfs/dbraw/zinc/90/55/03/923905503.db2.gz SYWLGKPQWFACDG-SCZZXKLOSA-N 2 0 266.349 -0.554 20 0 CBADRP Cc1c(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552437205 923906951 /nfs/dbraw/zinc/90/69/51/923906951.db2.gz LGXBVYJKYNFION-SDDRHHMPSA-N 2 0 290.371 -0.588 20 0 CBADRP Cc1c(C(=O)NC[C@@H]2[NH2+]CC2(C)C)nnn1[C@H]1CC[NH2+]C1 ZINC001552437994 923907526 /nfs/dbraw/zinc/90/75/26/923907526.db2.gz VJZABMQARDVWTP-QWRGUYRKSA-N 2 0 292.387 -0.151 20 0 CBADRP Cc1c(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]32)nnn1[C@@H]1CC[NH2+]C1 ZINC001552437407 923907617 /nfs/dbraw/zinc/90/76/17/923907617.db2.gz CZDXAJCPZKOZHV-IJLUTSLNSA-N 2 0 290.371 -0.445 20 0 CBADRP Cc1c(C(=O)NC[C@@H]2C[C@@H](F)C[NH2+]2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552438345 923908063 /nfs/dbraw/zinc/90/80/63/923908063.db2.gz MTFOJRJKLNMPCC-OUAUKWLOSA-N 2 0 296.350 -0.449 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001552443113 923909946 /nfs/dbraw/zinc/90/99/46/923909946.db2.gz ZMUNGKMKIJBJLX-NXEZZACHSA-N 2 0 279.344 -0.795 20 0 CBADRP Cc1c(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552442353 923910925 /nfs/dbraw/zinc/91/09/25/923910925.db2.gz PWBJZTSHWQBGOA-JMJZKYOTSA-N 2 0 278.360 -0.460 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C ZINC001552440534 923911028 /nfs/dbraw/zinc/91/10/28/923911028.db2.gz XPPVVCQCLBVBOV-PSASIEDQSA-N 2 0 266.349 -0.541 20 0 CBADRP Cc1c(C(=O)N(C)[C@@H]2CC[N@H+](C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552440040 923911061 /nfs/dbraw/zinc/91/10/61/923911061.db2.gz IUWUXQXLDGQXRS-VXGBXAGGSA-N 2 0 292.387 -0.103 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC12CC2 ZINC001552442525 923911127 /nfs/dbraw/zinc/91/11/27/923911127.db2.gz SZRWFFZVASPLTH-GFCCVEGCSA-N 2 0 290.371 -0.234 20 0 CBADRP [NH3+][C@H]1CN(C(=O)c2cccc3c2C[NH2+]C3)C[C@H]1n1ccnn1 ZINC001552678963 923911776 /nfs/dbraw/zinc/91/17/76/923911776.db2.gz AKIDORJUORBOMN-UONOGXRCSA-N 2 0 298.350 -0.094 20 0 CBADRP C[NH2+]CCNC(=O)c1cnc(C2CC[NH2+]CC2)[nH]1 ZINC001552683277 923912612 /nfs/dbraw/zinc/91/26/12/923912612.db2.gz DISXLDORYCFWQX-UHFFFAOYSA-N 2 0 251.334 -0.174 20 0 CBADRP CC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C[C@H]21 ZINC001552719717 923915067 /nfs/dbraw/zinc/91/50/67/923915067.db2.gz YZNHDCBQTHMLKR-MGPQQGTHSA-N 2 0 295.383 -0.561 20 0 CBADRP C[C@@H](CNC(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001552770742 923915181 /nfs/dbraw/zinc/91/51/81/923915181.db2.gz CZBQXFKLQXXYOL-UONOGXRCSA-N 2 0 297.447 -0.032 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(Cc2cnn3c2C[NH2+]CC3)CCO1 ZINC001552687650 923915367 /nfs/dbraw/zinc/91/53/67/923915367.db2.gz VQFFDUACNRQMMU-GWCFXTLKSA-N 2 0 265.361 -0.466 20 0 CBADRP [NH3+][C@H]1COCCN(C(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC001552761824 923916579 /nfs/dbraw/zinc/91/65/79/923916579.db2.gz DRMNHMIFLUWAJX-SNVBAGLBSA-N 2 0 253.346 -0.166 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001552808286 923919599 /nfs/dbraw/zinc/91/95/99/923919599.db2.gz ZNZQNDXBBJFWCB-KBPBESRZSA-N 2 0 297.447 -0.032 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001552840685 923919952 /nfs/dbraw/zinc/91/99/52/923919952.db2.gz AESCTCUROAMYQO-GMXVVIOVSA-N 2 0 253.346 -0.377 20 0 CBADRP Cc1c(C(=O)N[C@@H]2CC[NH2+][C@@H]2C)nnn1[C@@H]1CC[NH2+]C1 ZINC001552848287 923922263 /nfs/dbraw/zinc/92/22/63/923922263.db2.gz QBMZHVLRGIHOQP-FBIMIBRVSA-N 2 0 278.360 -0.399 20 0 CBADRP [NH3+]C1CC(CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC001552852054 923922626 /nfs/dbraw/zinc/92/26/26/923922626.db2.gz WTIYTGNLSRSWHC-KYHHOPLUSA-N 2 0 263.345 -0.046 20 0 CBADRP N[C@@H]1CN(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C[C@H]1[NH3+] ZINC001552960434 923926443 /nfs/dbraw/zinc/92/64/43/923926443.db2.gz MTFHDVXUIWSXBO-MGPQQGTHSA-N 2 0 295.431 -0.212 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N3C[C@H](N)[C@@H]([NH3+])C3)CC[C@@H]21 ZINC001552961115 923926869 /nfs/dbraw/zinc/92/68/69/923926869.db2.gz RKUFTTQVYJVHKC-RHYQMDGZSA-N 2 0 267.377 -0.897 20 0 CBADRP N[C@@H]1CN(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C[C@H]1[NH3+] ZINC001552960429 923926892 /nfs/dbraw/zinc/92/68/92/923926892.db2.gz MTFHDVXUIWSXBO-BFHYXJOUSA-N 2 0 295.431 -0.212 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@H]([NH3+])C3CC3)C2)CC1 ZINC001552954561 923927750 /nfs/dbraw/zinc/92/77/50/923927750.db2.gz DQJBHMIATKCTQT-KGLIPLIRSA-N 2 0 295.431 -0.245 20 0 CBADRP N[C@@H]1CN(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)C[C@H]1[NH3+] ZINC001552961818 923927841 /nfs/dbraw/zinc/92/78/41/923927841.db2.gz WCTOITUXDACUPQ-BFHYXJOUSA-N 2 0 295.431 -0.212 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NC[C@@H]2CC[NH+]2C2CC2)C1 ZINC001552987879 923931786 /nfs/dbraw/zinc/93/17/86/923931786.db2.gz PBVMFSGJDYCEFN-AWEZNQCLSA-N 2 0 280.416 -0.167 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NC[C@H]2CC[NH+]2C2CC2)C1 ZINC001552987881 923932684 /nfs/dbraw/zinc/93/26/84/923932684.db2.gz PBVMFSGJDYCEFN-CQSZACIVSA-N 2 0 280.416 -0.167 20 0 CBADRP C[NH2+]C[C@@H]1C[C@@H](F)CN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC001553012561 923936692 /nfs/dbraw/zinc/93/66/92/923936692.db2.gz KIJZGMYHJKZWFK-GRYCIOLGSA-N 2 0 257.353 -0.003 20 0 CBADRP [NH3+][C@@H]1COCCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC001553304317 923947720 /nfs/dbraw/zinc/94/77/20/923947720.db2.gz DONMHWMDGMWRLL-XQQFMLRXSA-N 2 0 255.362 -0.586 20 0 CBADRP [NH3+][C@@H]1CN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H]1n1ccnn1 ZINC001553305342 923947809 /nfs/dbraw/zinc/94/78/09/923947809.db2.gz SFOYDTZTKWDWAS-DGAVXFQQSA-N 2 0 292.387 -0.769 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C[C@@H]3CCCC[NH2+]C3)CCN2C1=O ZINC001553304954 923948093 /nfs/dbraw/zinc/94/80/93/923948093.db2.gz QHHBLJPCFDTVBN-JHJVBQTASA-N 2 0 266.389 -0.380 20 0 CBADRP [NH3+][C@@H]1CN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H]1n1ccnn1 ZINC001553305346 923949754 /nfs/dbraw/zinc/94/97/54/923949754.db2.gz SFOYDTZTKWDWAS-RFQIPJPRSA-N 2 0 292.387 -0.769 20 0 CBADRP [NH3+]C1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2COCC3)CC1 ZINC001553341920 923949956 /nfs/dbraw/zinc/94/99/56/923949956.db2.gz CSKPUXBVYFGMMU-GWCFXTLKSA-N 2 0 253.346 -0.438 20 0 CBADRP c1cc(N2CC[NH2+]CC2)oc1CN1CCO[C@@H]2C[NH2+]C[C@H]21 ZINC001553311273 923950300 /nfs/dbraw/zinc/95/03/00/923950300.db2.gz ZXWFZDLBASRRGE-ZIAGYGMSSA-N 2 0 292.383 -0.138 20 0 CBADRP CN1CC[C@]2(C(=O)N3CCC[C@H]([NH3+])C3)C[NH2+]C[C@@H]2C1 ZINC001553342450 923950436 /nfs/dbraw/zinc/95/04/36/923950436.db2.gz GHYRWXPECOZIAK-DYEKYZERSA-N 3 0 266.389 -0.523 20 0 CBADRP [NH3+]C1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COCC3)CC1 ZINC001553341926 923951461 /nfs/dbraw/zinc/95/14/61/923951461.db2.gz CSKPUXBVYFGMMU-ZWNOBZJWSA-N 2 0 253.346 -0.438 20 0 CBADRP CN1CC[C@]2(C(=O)N3CC[C@@H]([NH3+])C3)C[NH2+]C[C@H]2C1 ZINC001553347512 923952980 /nfs/dbraw/zinc/95/29/80/923952980.db2.gz GMVSPRCFLHPEAO-LOWVWBTDSA-N 2 0 252.362 -0.913 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2COCC3)C1 ZINC001553347999 923953195 /nfs/dbraw/zinc/95/31/95/923953195.db2.gz HLKTWHVRXAJZIC-LOWVWBTDSA-N 2 0 253.346 -0.567 20 0 CBADRP [NH3+]C1CCC2(C[C@@H]2C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC001553350662 923953229 /nfs/dbraw/zinc/95/32/29/923953229.db2.gz IJBDUDKKNDVTPJ-JVWICGRDSA-N 2 0 280.416 -0.085 20 0 CBADRP [NH3+]C1CCC2(C[C@H]2C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC001553350665 923953523 /nfs/dbraw/zinc/95/35/23/923953523.db2.gz IJBDUDKKNDVTPJ-OWYJLGKBSA-N 2 0 280.416 -0.085 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)c1cnc([C@H]2CCC[NH2+]2)nc1 ZINC001553349842 923953712 /nfs/dbraw/zinc/95/37/12/923953712.db2.gz DLFRZXUOPZATOM-WDEREUQCSA-N 2 0 261.329 -0.007 20 0 CBADRP [NH3+]CC1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCOC3)CC1 ZINC001553347066 923954201 /nfs/dbraw/zinc/95/42/01/923954201.db2.gz AFIWAEBPPDVTMX-JSGCOSHPSA-N 2 0 267.373 -0.190 20 0 CBADRP CN1CC[C@@]2(C(=O)N3CCC(C[NH3+])CC3)C[NH2+]C[C@H]2C1 ZINC001553348807 923954421 /nfs/dbraw/zinc/95/44/21/923954421.db2.gz KIAVUCSSOPHFLX-DZGCQCFKSA-N 2 0 280.416 -0.275 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)c1csc(N2CC[NH2+]CC2)n1 ZINC001553351321 923954616 /nfs/dbraw/zinc/95/46/16/923954616.db2.gz KLFFPXSCWMEATL-VIFPVBQESA-N 2 0 281.385 -0.356 20 0 CBADRP O=C(N1CCC[NH2+]CC1)[C@]12C[NH2+]C[C@@H]1CCOC2 ZINC001553347092 923954631 /nfs/dbraw/zinc/95/46/31/923954631.db2.gz AQNSSOAPBMMYEK-AAEUAGOBSA-N 2 0 253.346 -0.566 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NC[C@H]3CCC[NH2+]3)C[NH2+]C[C@H]2C1 ZINC001553355456 923955508 /nfs/dbraw/zinc/95/55/08/923955508.db2.gz YCVRNRAZPYZOJC-SCRDCRAPSA-N 3 0 266.389 -0.604 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)N[C@@H]3CC[NH2+]C3)C[NH2+]C[C@H]2C1 ZINC001553355161 923955897 /nfs/dbraw/zinc/95/58/97/923955897.db2.gz UHPYSPGMKIGAQP-LOWVWBTDSA-N 3 0 252.362 -0.994 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553353464 923956389 /nfs/dbraw/zinc/95/63/89/923956389.db2.gz DTOHFVUKKHDTBJ-YRGRVCCFSA-N 3 0 268.405 -0.373 20 0 CBADRP CN1CC[C@]2(C(=O)N3CC[C@@H](C[NH3+])C3)C[NH2+]C[C@@H]2C1 ZINC001553355925 923956689 /nfs/dbraw/zinc/95/66/89/923956689.db2.gz PWDZEZMZEDJWND-SCRDCRAPSA-N 2 0 266.389 -0.665 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2COCC3)CC[C@H]1[NH3+] ZINC001553355258 923957294 /nfs/dbraw/zinc/95/72/94/923957294.db2.gz NAAUYLPZEUZHES-BYNQJWBRSA-N 2 0 267.373 -0.192 20 0 CBADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@]12C[NH2+]C[C@H]1COCC2 ZINC001553353127 923957524 /nfs/dbraw/zinc/95/75/24/923957524.db2.gz GNXDFPXKGWPIKU-OBJOEFQTSA-N 2 0 267.373 -0.129 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)N[C@@H](C[NH3+])C3CC3)C[NH2+]C[C@H]2C1 ZINC001553355603 923957814 /nfs/dbraw/zinc/95/78/14/923957814.db2.gz BOFABLYHDGOHCC-OBJOEFQTSA-N 3 0 266.389 -0.619 20 0 CBADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@]12C[NH2+]C[C@@H]1CCOC2 ZINC001553355027 923957884 /nfs/dbraw/zinc/95/78/84/923957884.db2.gz MMURWWNGNRFFBO-SGMGOOAPSA-N 2 0 267.373 -0.129 20 0 CBADRP O=C(CNC(=O)[C@@]12CC[NH2+][C@H]1CCCC2)N1CC[NH2+]CC1 ZINC001553352122 923958298 /nfs/dbraw/zinc/95/82/98/923958298.db2.gz NTZLDWCIVRLRJY-WFASDCNBSA-N 2 0 294.399 -0.543 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2COCC3)CC1 ZINC001553356443 923960650 /nfs/dbraw/zinc/96/06/50/923960650.db2.gz FWFUMXZIRHJJLK-FZMZJTMJSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCOC3)CCO1 ZINC001553358368 923960923 /nfs/dbraw/zinc/96/09/23/923960923.db2.gz GYAKVZVJTTWEMM-MNXVOIDGSA-N 2 0 283.372 -0.813 20 0 CBADRP CN(C(=O)[C@@]12C[NH2+]C[C@H]1CN(C)CC2)[C@H]1CC[NH2+]C1 ZINC001553358078 923961157 /nfs/dbraw/zinc/96/11/57/923961157.db2.gz KKIUTFUDDATYKB-OBJOEFQTSA-N 2 0 266.389 -0.652 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001553357499 923961324 /nfs/dbraw/zinc/96/13/24/923961324.db2.gz IVKLXCFDCYQMSO-OUCADQQQSA-N 2 0 267.373 -0.320 20 0 CBADRP CN(C(=O)[C@]12C[NH2+]C[C@@H]1CCOC2)[C@@H]1CC[NH2+]C1 ZINC001553358220 923961715 /nfs/dbraw/zinc/96/17/15/923961715.db2.gz MXFINFXYKXEAAN-LOWVWBTDSA-N 2 0 253.346 -0.567 20 0 CBADRP [NH3+]C1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2CCOC3)CC1 ZINC001553358243 923962139 /nfs/dbraw/zinc/96/21/39/923962139.db2.gz QZKSOVIZFBREKY-BBCYWQGDSA-N 2 0 267.373 -0.001 20 0 CBADRP CC(C)NC(=O)CNC(=O)[C@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553371060 923964205 /nfs/dbraw/zinc/96/42/05/923964205.db2.gz BBVKNAWBWSIURY-BXUZGUMPSA-N 2 0 282.388 -0.832 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C[C@@H]([NH3+])[C@@H]3C2)CCO1 ZINC001553360911 923964345 /nfs/dbraw/zinc/96/43/45/923964345.db2.gz WHVSENXMNXIMQW-TXWLSFLZSA-N 2 0 267.373 -0.066 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@]23CC[C@@H]2C[NH2+]C3)C1 ZINC001553360847 923965279 /nfs/dbraw/zinc/96/52/79/923965279.db2.gz ZZAHHWKQTFGXIX-LALPHHSUSA-N 2 0 294.399 -0.701 20 0 CBADRP C[C@H](O)CCNC(=O)[C@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553387494 923967678 /nfs/dbraw/zinc/96/76/78/923967678.db2.gz XICCRPANWLZLDP-GMXVVIOVSA-N 2 0 255.362 -0.585 20 0 CBADRP Cn1cc(NC(=O)[C@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)ccc1=O ZINC001553395794 923969347 /nfs/dbraw/zinc/96/93/47/923969347.db2.gz WMYYASKKBZUYQT-IAQYHMDHSA-N 2 0 290.367 -0.135 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NC3CCOCC3)C[NH2+]C[C@@H]2C1 ZINC001553397639 923971415 /nfs/dbraw/zinc/97/14/15/923971415.db2.gz POVDSVUZWNEJHH-RISCZKNCSA-N 2 0 267.373 -0.177 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NC3CCOCC3)C[NH2+]C[C@H]2C1 ZINC001553397637 923971628 /nfs/dbraw/zinc/97/16/28/923971628.db2.gz POVDSVUZWNEJHH-FZMZJTMJSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C[C@H]1C[NH3+] ZINC001553404024 923974099 /nfs/dbraw/zinc/97/40/99/923974099.db2.gz BAVFYFHWUZSXAL-KVSVUVNWSA-N 2 0 267.373 -0.051 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CCO1 ZINC001553402938 923974760 /nfs/dbraw/zinc/97/47/60/923974760.db2.gz UTFRREKBSASDJU-HTFCKZLJSA-N 2 0 269.345 -0.920 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CCO1 ZINC001553402947 923975228 /nfs/dbraw/zinc/97/52/28/923975228.db2.gz UTFRREKBSASDJU-MJDLHHQISA-N 2 0 269.345 -0.920 20 0 CBADRP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553403404 923975587 /nfs/dbraw/zinc/97/55/87/923975587.db2.gz YNEHRBFMURGQOX-FAEWTPIRSA-N 2 0 265.357 -0.095 20 0 CBADRP CC(C)[C@@H]1CN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC[NH2+]1 ZINC001553405807 923976787 /nfs/dbraw/zinc/97/67/87/923976787.db2.gz DRAOVYSLRXXMFS-ZDEQEGDKSA-N 2 0 267.373 -0.038 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553405715 923976878 /nfs/dbraw/zinc/97/68/78/923976878.db2.gz DBUYNZXHNRGQKY-MTVMDMGHSA-N 2 0 253.346 -0.299 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C[NH2+]1 ZINC001553405439 923978087 /nfs/dbraw/zinc/97/80/87/923978087.db2.gz CCXOXOUCVZMUTI-WTPMCQDGSA-N 2 0 253.346 -0.238 20 0 CBADRP O=C(NCC[NH+]1CCCC1)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553405762 923978131 /nfs/dbraw/zinc/97/81/31/923978131.db2.gz GXPYTEVVFXUFEP-SDDRHHMPSA-N 2 0 253.346 -0.282 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553407931 923980554 /nfs/dbraw/zinc/98/05/54/923980554.db2.gz IFOBDGXBTIJTSN-USZNOCQGSA-N 2 0 253.346 -0.284 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553406674 923982084 /nfs/dbraw/zinc/98/20/84/923982084.db2.gz GRWGWPOOAUDHNK-XFWSIPNHSA-N 2 0 275.299 -0.381 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001553409025 923985286 /nfs/dbraw/zinc/98/52/86/923985286.db2.gz KUNWICQOONOPDT-VLJOUNFMSA-N 2 0 265.357 -0.284 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553411970 923986599 /nfs/dbraw/zinc/98/65/99/923986599.db2.gz SIZMMURCQZUPGY-FVCCEPFGSA-N 2 0 267.373 -0.036 20 0 CBADRP CC1(C)C[NH2+][C@@H]1CNC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553412741 923986683 /nfs/dbraw/zinc/98/66/83/923986683.db2.gz UTEMSPCQTNWLLR-LMLFDSFASA-N 2 0 253.346 -0.380 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553413993 923987861 /nfs/dbraw/zinc/98/78/61/923987861.db2.gz WMJPBOLWOVHFAG-MEWQQHAOSA-N 2 0 253.346 -0.297 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553412290 923987916 /nfs/dbraw/zinc/98/79/16/923987916.db2.gz UHCLLSFUHWHWIK-DGORSVRFSA-N 2 0 253.346 -0.380 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553413991 923987953 /nfs/dbraw/zinc/98/79/53/923987953.db2.gz WMJPBOLWOVHFAG-LSCVPOLPSA-N 2 0 253.346 -0.297 20 0 CBADRP C[NH+](C)C1CC(CNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553419783 923989423 /nfs/dbraw/zinc/98/94/23/923989423.db2.gz HPRKNMNUVNJRIZ-JCXRDGCHSA-N 2 0 267.373 -0.038 20 0 CBADRP C[NH+](C)C1CC(CNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553419791 923990071 /nfs/dbraw/zinc/99/00/71/923990071.db2.gz HPRKNMNUVNJRIZ-KAKVVRBNSA-N 2 0 267.373 -0.038 20 0 CBADRP C[NH+](C)C1CC(CNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553419777 923990147 /nfs/dbraw/zinc/99/01/47/923990147.db2.gz HPRKNMNUVNJRIZ-HWIRSSMVSA-N 2 0 267.373 -0.038 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553416780 923990471 /nfs/dbraw/zinc/99/04/71/923990471.db2.gz CNMFTMLIEDKCQG-KVSVUVNWSA-N 2 0 267.373 -0.132 20 0 CBADRP CN(C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)[C@H]1CC[N@H+](C)C1 ZINC001553422883 923992420 /nfs/dbraw/zinc/99/24/20/923992420.db2.gz MWMJSALUQRCJPB-BJDJZHNGSA-N 2 0 253.346 -0.332 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C[C@H]1CC[NH3+] ZINC001553429327 923995110 /nfs/dbraw/zinc/99/51/10/923995110.db2.gz KRSYSFZGEASGGW-KVSVUVNWSA-N 2 0 267.373 -0.051 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C[C@@H]1F)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553427684 923996150 /nfs/dbraw/zinc/99/61/50/923996150.db2.gz JGCCRAIIMABSFE-KZZRWZIVSA-N 2 0 271.336 -0.288 20 0 CBADRP C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC[N@@H+]1C ZINC001553429285 923996662 /nfs/dbraw/zinc/99/66/62/923996662.db2.gz JYVXALIUESVIDK-GCHJQGSQSA-N 2 0 253.346 -0.285 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553432729 923997750 /nfs/dbraw/zinc/99/77/50/923997750.db2.gz SFNFYQHVASCJSA-MTVMDMGHSA-N 2 0 253.346 -0.251 20 0 CBADRP C[C@H]([NH3+])CNC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001553439409 923998192 /nfs/dbraw/zinc/99/81/92/923998192.db2.gz NJVPACYDIRMVEX-NSHDSACASA-N 2 0 270.377 -0.112 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC001553432521 923999453 /nfs/dbraw/zinc/99/94/53/923999453.db2.gz RCSFKOBWWRQPPJ-VLJOUNFMSA-N 2 0 265.357 -0.284 20 0 CBADRP C[C@H](NC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)[C@H]1C[N@H+](C)CCN1C ZINC001553430939 923999852 /nfs/dbraw/zinc/99/98/52/923999852.db2.gz WTKZTXZQTHYTIW-VJTDZRGJSA-N 2 0 296.415 -0.744 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001553448105 924000562 /nfs/dbraw/zinc/00/05/62/924000562.db2.gz LPYTZUGGBNUXPN-IPYPFGDCSA-N 2 0 295.431 -0.245 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC001553448813 924002749 /nfs/dbraw/zinc/00/27/49/924002749.db2.gz KUVOVNYRINKLSJ-UMVBOHGHSA-N 2 0 295.431 -0.327 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N1CC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC001553489356 924011129 /nfs/dbraw/zinc/01/11/29/924011129.db2.gz DPSIGHBOYJPCBP-ZIAGYGMSSA-N 2 0 295.431 -0.325 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH3+])C1 ZINC001553489839 924011210 /nfs/dbraw/zinc/01/12/10/924011210.db2.gz YASHAIXILDRKSA-IJLUTSLNSA-N 2 0 294.403 -0.194 20 0 CBADRP O=C(NCC1C[NH2+]C1)N1CC[C@H]2CC[NH2+]C[C@@H]2C1 ZINC001553497101 924012703 /nfs/dbraw/zinc/01/27/03/924012703.db2.gz ONJQJYFNADSUHH-VXGBXAGGSA-N 2 0 252.362 -0.153 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)N[C@H]3CCC[NH2+]C3)C[C@H]2[NH3+])c1 ZINC001553497429 924013008 /nfs/dbraw/zinc/01/30/08/924013008.db2.gz PTCDIPFVHYACFX-QJPTWQEYSA-N 2 0 292.387 -0.392 20 0 CBADRP [NH3+][C@H]1CN(C(=O)NC[C@H]2CC[NH2+]C2)CC12CCOCC2 ZINC001553498345 924014625 /nfs/dbraw/zinc/01/46/25/924014625.db2.gz TYAAPKPCEYLUAN-RYUDHWBXSA-N 2 0 282.388 -0.255 20 0 CBADRP C[C@H]([NH3+])CNC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553506435 924015915 /nfs/dbraw/zinc/01/59/15/924015915.db2.gz VSQDUZQZMDFYMF-UWVGGRQHSA-N 2 0 256.350 -0.517 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@]12CCC[C@H]1C[NH2+]C2 ZINC001553506308 924017027 /nfs/dbraw/zinc/01/70/27/924017027.db2.gz UVKDATSMVYKMGP-GMXVVIOVSA-N 2 0 268.361 -0.584 20 0 CBADRP C[C@@H]([NH3+])CCNC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553514640 924019387 /nfs/dbraw/zinc/01/93/87/924019387.db2.gz QCSWHMFZSRYVQQ-MNOVXSKESA-N 2 0 270.377 -0.209 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001553517392 924020580 /nfs/dbraw/zinc/02/05/80/924020580.db2.gz SCUGAHCRAGFWCW-GXTWGEPZSA-N 2 0 282.388 -0.098 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)NC1(C2CC[NH2+]CC2)CC1 ZINC001553516445 924020689 /nfs/dbraw/zinc/02/06/89/924020689.db2.gz PEUYZWWURCZIOB-LBPRGKRZSA-N 2 0 282.388 -0.194 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553516120 924020739 /nfs/dbraw/zinc/02/07/39/924020739.db2.gz ZAGJWHMBOCDDBW-XQQFMLRXSA-N 2 0 284.404 -0.036 20 0 CBADRP [NH3+][C@]12CC[C@@H]1CN(C(=O)NCC1([NH3+])CCOCC1)C2 ZINC001553517357 924021045 /nfs/dbraw/zinc/02/10/45/924021045.db2.gz RYEDBUAWSQQKEY-MFKMUULPSA-N 2 0 268.361 -0.373 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)N3C[C@@H](N)[C@@H]([NH3+])C3)C[C@@H]2C1 ZINC001553523489 924022171 /nfs/dbraw/zinc/02/21/71/924022171.db2.gz FGQMKTYXCGLBMV-ITGHMWBKSA-N 2 0 295.431 -0.261 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553519419 924023404 /nfs/dbraw/zinc/02/34/04/924023404.db2.gz QTKKQEHRKXAKQQ-QJPTWQEYSA-N 2 0 282.388 -0.114 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553525219 924023892 /nfs/dbraw/zinc/02/38/92/924023892.db2.gz GRFSYVXILULVEL-WOPDTQHZSA-N 2 0 282.388 -0.338 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001553528232 924025465 /nfs/dbraw/zinc/02/54/65/924025465.db2.gz NDOWCTLOIFVIKS-KGLIPLIRSA-N 2 0 295.431 -0.055 20 0 CBADRP [NH3+]CC1(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC001553534683 924025882 /nfs/dbraw/zinc/02/58/82/924025882.db2.gz YTXVUVIDTQJJJN-OLZOCXBDSA-N 2 0 296.415 -0.034 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001553535199 924026057 /nfs/dbraw/zinc/02/60/57/924026057.db2.gz YWBVZMNWDRJCND-HZSPNIEDSA-N 2 0 295.431 -0.374 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)N1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001553527092 924026562 /nfs/dbraw/zinc/02/65/62/924026562.db2.gz JHIDYDMUPNOKGV-PRULPYPASA-N 2 0 252.362 -0.025 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553543068 924027583 /nfs/dbraw/zinc/02/75/83/924027583.db2.gz KKRISOVXCSKNOE-HBNTYKKESA-N 2 0 286.351 -0.636 20 0 CBADRP [NH3+]C1(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC001553541297 924027642 /nfs/dbraw/zinc/02/76/42/924027642.db2.gz XGKSFUHFPKYDGW-NEPJUHHUSA-N 2 0 282.388 -0.282 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N1CCC[C@@]12CC[NH2+]C2 ZINC001553545927 924028677 /nfs/dbraw/zinc/02/86/77/924028677.db2.gz TUWASTDJLMIUDM-UMNHJUIQSA-N 2 0 256.325 -0.166 20 0 CBADRP [NH3+]C1(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC001553541301 924029183 /nfs/dbraw/zinc/02/91/83/924029183.db2.gz XGKSFUHFPKYDGW-VXGBXAGGSA-N 2 0 282.388 -0.282 20 0 CBADRP [NH3+]CC1CC(NC(=O)N[C@H]2C[NH2+]CC23CCOCC3)C1 ZINC001553540532 924029254 /nfs/dbraw/zinc/02/92/54/924029254.db2.gz XQQRWMKPZSJIKG-MCIGGMRASA-N 2 0 282.388 -0.209 20 0 CBADRP [NH3+]C1CC(NC(=O)N[C@@H]2C[NH2+]CC23CCOCC3)C1 ZINC001553558397 924032435 /nfs/dbraw/zinc/03/24/35/924032435.db2.gz TVVPTMFXTPIINV-VQXHTEKXSA-N 2 0 268.361 -0.456 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)C1 ZINC001558158945 924152156 /nfs/dbraw/zinc/15/21/56/924152156.db2.gz LEELAIMCGOVOFE-RWMBFGLXSA-N 2 0 267.373 -0.394 20 0 CBADRP COC[C@@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC000573308492 334925906 /nfs/dbraw/zinc/92/59/06/334925906.db2.gz OEGWGUDTRYNUEX-MBNYWOFBSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH+](C)CC1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000043799376 282081471 /nfs/dbraw/zinc/08/14/71/282081471.db2.gz LTHMEMDIVZZFKB-LBPRGKRZSA-N 2 0 255.362 -0.225 20 0 CBADRP C[NH+](C)C[C@H]1CN(C(=O)C2CC[NH2+]CC2)CCO1 ZINC000353707391 282136439 /nfs/dbraw/zinc/13/64/39/282136439.db2.gz NNPSILUYJOBJPZ-LBPRGKRZSA-N 2 0 255.362 -0.225 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000423647031 282182583 /nfs/dbraw/zinc/18/25/83/282182583.db2.gz MQRHBSMNYQREDV-VXGBXAGGSA-N 2 0 282.388 -0.511 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)C1CC[NH+](C)CC1 ZINC000126066851 187214110 /nfs/dbraw/zinc/21/41/10/187214110.db2.gz BFEJHXAFFOMORV-ZDUSSCGKSA-N 2 0 284.404 -0.362 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[NH+]1CCCC1 ZINC000126111084 187217937 /nfs/dbraw/zinc/21/79/37/187217937.db2.gz ASXJKZDZKXDMKK-LBPRGKRZSA-N 2 0 270.377 -0.702 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000126280498 187229630 /nfs/dbraw/zinc/22/96/30/187229630.db2.gz BLKGZLZHSPZONS-MFKMUULPSA-N 2 0 282.388 -0.561 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000419820443 290676168 /nfs/dbraw/zinc/67/61/68/290676168.db2.gz KIEKKBMTRARFTG-CHWSQXEVSA-N 2 0 298.431 -0.194 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000419146311 282257000 /nfs/dbraw/zinc/25/70/00/282257000.db2.gz ZBTXOGNXQUHENA-UPJWGTAASA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000419158093 290688895 /nfs/dbraw/zinc/68/88/95/290688895.db2.gz XLNXUIXDUNAAAD-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000449704708 290061148 /nfs/dbraw/zinc/06/11/48/290061148.db2.gz WMWZMKMJRCAPNK-CRWXNKLISA-N 2 0 280.416 -0.073 20 0 CBADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCC(=O)N3CCOCC3)C[C@@H]12 ZINC000351488851 219104527 /nfs/dbraw/zinc/10/45/27/219104527.db2.gz GJYGDDVSUBDSJN-YNEHKIRRSA-N 2 0 267.373 -0.096 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000573487701 334941604 /nfs/dbraw/zinc/94/16/04/334941604.db2.gz JMPYBQGVTQBLRW-UTLUCORTSA-N 2 0 257.334 -0.490 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351515926 219111056 /nfs/dbraw/zinc/11/10/56/219111056.db2.gz DOPWLZDGDZBFGH-JHJVBQTASA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351520445 219113398 /nfs/dbraw/zinc/11/33/98/219113398.db2.gz RTEOBWIKQBEARL-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCC[NH+]1CCCC1 ZINC000351525196 219116097 /nfs/dbraw/zinc/11/60/97/219116097.db2.gz UGQVESIFYLLWCO-LBPRGKRZSA-N 2 0 282.388 -0.543 20 0 CBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351539743 219119234 /nfs/dbraw/zinc/11/92/34/219119234.db2.gz VDXAYUJKPJTRLJ-RYUDHWBXSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351539737 219119259 /nfs/dbraw/zinc/11/92/59/219119259.db2.gz VDXAYUJKPJTRLJ-NEPJUHHUSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH+]1CCC(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351539154 219119742 /nfs/dbraw/zinc/11/97/42/219119742.db2.gz SPNGMZMKLYEJBA-LBPRGKRZSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@H]1CN(C(=O)NCCN2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000333773905 290707959 /nfs/dbraw/zinc/70/79/59/290707959.db2.gz CLXHNRKLOYRCOK-RYUDHWBXSA-N 2 0 269.393 -0.717 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351546308 219122558 /nfs/dbraw/zinc/12/25/58/219122558.db2.gz YREMMGNVTFAMGZ-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351560578 219126292 /nfs/dbraw/zinc/12/62/92/219126292.db2.gz RKERPFSGBFQHNF-VXGBXAGGSA-N 2 0 282.388 -0.687 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351552431 219123870 /nfs/dbraw/zinc/12/38/70/219123870.db2.gz ALQRACFNGFPDAD-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1C[C@@H](N(C)C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000351560096 219126367 /nfs/dbraw/zinc/12/63/67/219126367.db2.gz WBWGTAAUUJRXPC-AGIUHOORSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351553221 219124448 /nfs/dbraw/zinc/12/44/48/219124448.db2.gz AAEUPWOQJYWWDZ-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000351556175 219125801 /nfs/dbraw/zinc/12/58/01/219125801.db2.gz DPWKUVBBONUNJW-YPMHNXCESA-N 2 0 294.399 -0.545 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351555294 219126034 /nfs/dbraw/zinc/12/60/34/219126034.db2.gz LFHDDDIHWBVSLH-GFCCVEGCSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000573605621 334951259 /nfs/dbraw/zinc/95/12/59/334951259.db2.gz IHXUHQHTHXPZAQ-SDDRHHMPSA-N 2 0 282.388 -0.641 20 0 CBADRP C[NH+](C)CC1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351579231 219134687 /nfs/dbraw/zinc/13/46/87/219134687.db2.gz WKFDDIFRNLEEAI-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)C[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000351586923 219135792 /nfs/dbraw/zinc/13/57/92/219135792.db2.gz ZUHMKRUIIHSPQE-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000351763256 219199551 /nfs/dbraw/zinc/19/95/51/219199551.db2.gz OGFMFEUUTRSVOB-OLZOCXBDSA-N 2 0 268.405 -0.180 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)C(C)C)C1 ZINC000423519157 290829658 /nfs/dbraw/zinc/82/96/58/290829658.db2.gz VGHLSIYXCMZMSO-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000573801267 334967031 /nfs/dbraw/zinc/96/70/31/334967031.db2.gz XCDOUHMLBUXHEU-USZNOCQGSA-N 2 0 283.372 -0.147 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000352004074 219283672 /nfs/dbraw/zinc/28/36/72/219283672.db2.gz NUDBPGVQZXTQPZ-JQWIXIFHSA-N 2 0 272.393 -0.280 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000352004078 219286234 /nfs/dbraw/zinc/28/62/34/219286234.db2.gz NUDBPGVQZXTQPZ-ZYHUDNBSSA-N 2 0 272.393 -0.280 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000339666804 215288751 /nfs/dbraw/zinc/28/87/51/215288751.db2.gz ARPIRRUFAZKALV-UHFFFAOYSA-N 2 0 284.404 -0.393 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000339643677 215285098 /nfs/dbraw/zinc/28/50/98/215285098.db2.gz BBWHPCMBDHATBT-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000091309723 180131592 /nfs/dbraw/zinc/13/15/92/180131592.db2.gz WTHGIGZSDREKFV-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000091313339 180132909 /nfs/dbraw/zinc/13/29/09/180132909.db2.gz YFNZOAYAKFQXHZ-VXGBXAGGSA-N 2 0 255.362 -0.083 20 0 CBADRP CC[N@H+](CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C(C)C ZINC000352086572 219313284 /nfs/dbraw/zinc/31/32/84/219313284.db2.gz FBQQFEGBWIALLW-ZDUSSCGKSA-N 2 0 286.420 -0.068 20 0 CBADRP COCC[NH2+]CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000092495431 180396417 /nfs/dbraw/zinc/39/64/17/180396417.db2.gz FSNXJKOCTDVEIB-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP COCC[NH2+]CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000092495430 180396489 /nfs/dbraw/zinc/39/64/89/180396489.db2.gz FSNXJKOCTDVEIB-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000131096423 282711603 /nfs/dbraw/zinc/71/16/03/282711603.db2.gz LUFCZDKXFDFBFX-ZDUSSCGKSA-N 2 0 268.405 -0.036 20 0 CBADRP C[NH+](C)CCOc1cccc(NC(=O)CNC(=O)C[NH3+])c1 ZINC000037629152 351400899 /nfs/dbraw/zinc/40/08/99/351400899.db2.gz CGTMVCSWVRUHDO-UHFFFAOYSA-N 2 0 294.355 -0.360 20 0 CBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCN1CC[NH+](C)CC1 ZINC000037760048 351402195 /nfs/dbraw/zinc/40/21/95/351402195.db2.gz DOPAVBPSIPCCDK-NEPJUHHUSA-N 2 0 256.394 -0.277 20 0 CBADRP C[NH+](C)CCOc1ccc(NC(=O)CNC(=O)C[NH3+])cc1 ZINC000037766085 351403764 /nfs/dbraw/zinc/40/37/64/351403764.db2.gz QRFAMDFDUVVPMY-UHFFFAOYSA-N 2 0 294.355 -0.360 20 0 CBADRP COCCC[N@H+](CCOC)CCN1CC[NH2+]CC1 ZINC000042425405 351431202 /nfs/dbraw/zinc/43/12/02/351431202.db2.gz QNBNAUQRNZFHFC-UHFFFAOYSA-N 2 0 259.394 -0.124 20 0 CBADRP C[NH+](C)CCN(C(=O)CNC(=O)C[NH3+])C1CCCC1 ZINC000037825086 351409292 /nfs/dbraw/zinc/40/92/92/351409292.db2.gz MTKSEMVPZAECKZ-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP C[NH2+]CC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000037820630 351409332 /nfs/dbraw/zinc/40/93/32/351409332.db2.gz RBLGBKLLJVNAMX-UHFFFAOYSA-N 2 0 255.362 -0.223 20 0 CBADRP C[NH+](C)Cc1ccccc1CNC(=O)CNC(=O)C[NH3+] ZINC000040855331 351421456 /nfs/dbraw/zinc/42/14/56/351421456.db2.gz BGPSDQMUMDUXFM-UHFFFAOYSA-N 2 0 278.356 -0.561 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000050463085 351501851 /nfs/dbraw/zinc/50/18/51/351501851.db2.gz GUUOPFCGHVNQRS-QWHCGFSZSA-N 2 0 267.373 -0.096 20 0 CBADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000053298670 351526917 /nfs/dbraw/zinc/52/69/17/351526917.db2.gz KHHSFUWXGNYKAM-UHFFFAOYSA-N 2 0 268.405 -0.166 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[NH2+]CCO1)C[NH+]1CCCC1 ZINC000062076405 351573457 /nfs/dbraw/zinc/57/34/57/351573457.db2.gz ARNOCFMYHIMTDS-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062894009 351576752 /nfs/dbraw/zinc/57/67/52/351576752.db2.gz CHWSLNIKHXDBJU-ZDUSSCGKSA-N 2 0 254.378 -0.650 20 0 CBADRP O=C(C(=O)N1CC[NH2+]CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062983199 351578005 /nfs/dbraw/zinc/57/80/05/351578005.db2.gz DTMUAYBTFCUOKE-ZDUSSCGKSA-N 2 0 294.399 -0.495 20 0 CBADRP CCN(CC)C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179669 351580039 /nfs/dbraw/zinc/58/00/39/351580039.db2.gz ROSNREBWCVAXRS-LBPRGKRZSA-N 2 0 284.404 -0.358 20 0 CBADRP CCCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179819 351580101 /nfs/dbraw/zinc/58/01/01/351580101.db2.gz QACHKDIYNMVDDM-LLVKDONJSA-N 2 0 270.377 -0.701 20 0 CBADRP COC(=O)CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179785 351580272 /nfs/dbraw/zinc/58/02/72/351580272.db2.gz UQUBMIDJEJPCKM-NSHDSACASA-N 2 0 271.361 -0.274 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180200 351580437 /nfs/dbraw/zinc/58/04/37/351580437.db2.gz WSLJATVSUUFUII-VHSXEESVSA-N 2 0 256.350 -0.963 20 0 CBADRP CN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)C1CC1 ZINC000063179965 351580646 /nfs/dbraw/zinc/58/06/46/351580646.db2.gz UNJJBPIHXGCVOZ-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP CCCCNC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179953 351580692 /nfs/dbraw/zinc/58/06/92/351580692.db2.gz ARATVQHRKKLBRA-LBPRGKRZSA-N 2 0 284.404 -0.310 20 0 CBADRP CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000070171090 351636054 /nfs/dbraw/zinc/63/60/54/351636054.db2.gz AGJMWDSUYKLEDV-CQSZACIVSA-N 2 0 296.415 -0.262 20 0 CBADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000070189865 351636624 /nfs/dbraw/zinc/63/66/24/351636624.db2.gz ZENMVNVFAVCGIL-VIFPVBQESA-N 2 0 256.350 -0.109 20 0 CBADRP CC[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000073644085 351655128 /nfs/dbraw/zinc/65/51/28/351655128.db2.gz VTTRTZBMCXHSNX-LBPRGKRZSA-N 2 0 284.404 -0.536 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1c[nH]cn1 ZINC000076592512 351677674 /nfs/dbraw/zinc/67/76/74/351677674.db2.gz KDQCPZSNYLNIOL-UHFFFAOYSA-N 2 0 253.350 -0.025 20 0 CBADRP C[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000091311836 351743497 /nfs/dbraw/zinc/74/34/97/351743497.db2.gz HQQVVIXIJQRQFM-NEPJUHHUSA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000092924514 351753554 /nfs/dbraw/zinc/75/35/54/351753554.db2.gz PXZWRIZCJZEXQC-ZDUSSCGKSA-N 2 0 291.359 -0.031 20 0 CBADRP C[N@H+](CCC(=O)NC(N)=O)C[C@@H]1CCC[NH+](C)C1 ZINC000118843685 351829892 /nfs/dbraw/zinc/82/98/92/351829892.db2.gz JPDKQVQZNOGCSB-SNVBAGLBSA-N 2 0 256.350 -0.155 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478257 351816980 /nfs/dbraw/zinc/81/69/80/351816980.db2.gz AYQFGIGHVYXNGD-GFCCVEGCSA-N 2 0 285.388 -0.109 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000114384919 351817548 /nfs/dbraw/zinc/81/75/48/351817548.db2.gz JUGXWFRGKCMQFB-QWHCGFSZSA-N 2 0 268.405 -0.167 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000126276957 351859186 /nfs/dbraw/zinc/85/91/86/351859186.db2.gz FSZDZYYMQVFBCX-AAEUAGOBSA-N 2 0 284.404 -0.456 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000126331045 351860413 /nfs/dbraw/zinc/86/04/13/351860413.db2.gz AKHZQWNJBXZMTQ-AWEZNQCLSA-N 2 0 298.431 -0.114 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)NCCN1CC[NH2+]CC1 ZINC000130938460 351882777 /nfs/dbraw/zinc/88/27/77/351882777.db2.gz ZUPYIWRRSZSCTD-LLVKDONJSA-N 2 0 272.418 -0.897 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000127246840 351863384 /nfs/dbraw/zinc/86/33/84/351863384.db2.gz ZOGNHFSEZRDIEU-UPJWGTAASA-N 2 0 268.405 -0.264 20 0 CBADRP [NH3+]Cc1cc(C(=O)NCCN2CCOCC2)ccn1 ZINC000129937524 351875901 /nfs/dbraw/zinc/87/59/01/351875901.db2.gz CSEWONDDOCPFER-UHFFFAOYSA-N 2 0 264.329 -0.398 20 0 CBADRP CC[C@@H]([NH3+])C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000152869054 351941211 /nfs/dbraw/zinc/94/12/11/351941211.db2.gz KUBPXRXSBWEEDC-VXGBXAGGSA-N 2 0 257.378 -0.067 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000132094275 351891138 /nfs/dbraw/zinc/89/11/38/351891138.db2.gz NOGIUJHIGIDZOV-GFCCVEGCSA-N 2 0 282.388 -0.701 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C[C@@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000132959594 351896596 /nfs/dbraw/zinc/89/65/96/351896596.db2.gz WGXFCODOPYFEJK-GRYCIOLGSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000133632116 351900973 /nfs/dbraw/zinc/90/09/73/351900973.db2.gz ZIOYTLQMVWUTDU-OUAUKWLOSA-N 2 0 268.361 -0.144 20 0 CBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[NH2+]CC2)C1(C)C ZINC000133966008 351903059 /nfs/dbraw/zinc/90/30/59/351903059.db2.gz JJLJLGWHXZVFKS-MFKMUULPSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CCC[C@@H]([NH2+]C)C2)CC1 ZINC000133993697 351903528 /nfs/dbraw/zinc/90/35/28/351903528.db2.gz NOPNUUWXBQXSPH-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)C[NH2+]C2CC2)CC1 ZINC000154672362 351947062 /nfs/dbraw/zinc/94/70/62/351947062.db2.gz WUPRFUFCRLPYQU-UHFFFAOYSA-N 2 0 268.405 -0.119 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc[nH]c(=O)c1 ZINC000155459226 351950140 /nfs/dbraw/zinc/95/01/40/351950140.db2.gz AJRQURJSTLGSEI-UHFFFAOYSA-N 2 0 280.372 -0.060 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2)CC[N@@H+]1C ZINC000157865926 351957325 /nfs/dbraw/zinc/95/73/25/351957325.db2.gz MJNZLYDSRLQMPA-NEPJUHHUSA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CCOCC2)CC[N@@H+]1C ZINC000158249396 351958669 /nfs/dbraw/zinc/95/86/69/351958669.db2.gz ZWPSUAYSIDXIRF-MCIONIFRSA-N 2 0 271.405 -0.248 20 0 CBADRP C[C@H]([NH3+])C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000165970194 351986750 /nfs/dbraw/zinc/98/67/50/351986750.db2.gz FSERQMVZJQSSCJ-NSHDSACASA-N 2 0 256.394 -0.277 20 0 CBADRP CC(C)[NH+]1CCC(O)(CNC(=O)C[NH+](C)C)CC1 ZINC000352275391 219389167 /nfs/dbraw/zinc/38/91/67/219389167.db2.gz OCIMHXWUFZJVNH-UHFFFAOYSA-N 2 0 257.378 -0.101 20 0 CBADRP COc1cc[nH+]c(N2CCN(C(=O)C[NH3+])CC2)c1 ZINC000167594421 351989759 /nfs/dbraw/zinc/98/97/59/351989759.db2.gz ZKZOXBCPJCAZAP-UHFFFAOYSA-N 2 0 250.302 -0.303 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000167265068 351989769 /nfs/dbraw/zinc/98/97/69/351989769.db2.gz ZCCJVVVUUPICBV-GFCCVEGCSA-N 2 0 273.377 -0.551 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2CN(C)CCO2)C[C@H](C)O1 ZINC000174500599 352046703 /nfs/dbraw/zinc/04/67/03/352046703.db2.gz QMOMMERSYPOHRB-MJBXVCDLSA-N 2 0 299.415 -0.068 20 0 CBADRP C[C@@H](CNC(=O)C[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000176012431 352062461 /nfs/dbraw/zinc/06/24/61/352062461.db2.gz IJQVDPFWKMYOSV-LBPRGKRZSA-N 2 0 256.394 -0.452 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CC[NH+](C)C ZINC000176339571 352064577 /nfs/dbraw/zinc/06/45/77/352064577.db2.gz IDTITKYECVKCAD-ZDUSSCGKSA-N 2 0 285.436 -0.175 20 0 CBADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000172810556 352031106 /nfs/dbraw/zinc/03/11/06/352031106.db2.gz SPXSVPNSNPWXKR-ZDUSSCGKSA-N 2 0 298.431 -0.147 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000178811504 352083740 /nfs/dbraw/zinc/08/37/40/352083740.db2.gz NYHVZCQROLFBCV-GFCCVEGCSA-N 2 0 261.341 -0.228 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178844861 352084666 /nfs/dbraw/zinc/08/46/66/352084666.db2.gz WGAQBIYLQWGQKP-CHWSQXEVSA-N 2 0 283.372 -0.845 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000178880729 352084799 /nfs/dbraw/zinc/08/47/99/352084799.db2.gz LQVUZNDVPYRNAV-RYUDHWBXSA-N 2 0 256.394 -0.278 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000179309550 352089239 /nfs/dbraw/zinc/08/92/39/352089239.db2.gz TXSXLFLCYFYJKI-ZDUSSCGKSA-N 2 0 259.394 -0.437 20 0 CBADRP COC[C@H](O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180965288 352097472 /nfs/dbraw/zinc/09/74/72/352097472.db2.gz HCLJBVSWIHWVTD-CQSZACIVSA-N 2 0 273.421 -0.049 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000182352243 352102972 /nfs/dbraw/zinc/10/29/72/352102972.db2.gz SRYRGQJEQKOTDU-STQMWFEESA-N 2 0 258.362 -0.352 20 0 CBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000188277137 352150321 /nfs/dbraw/zinc/15/03/21/352150321.db2.gz LOVWVHLOLLZJDK-ZIAGYGMSSA-N 2 0 298.431 -0.635 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188779091 352158205 /nfs/dbraw/zinc/15/82/05/352158205.db2.gz PLMSLOSYDZSXJC-WDEREUQCSA-N 2 0 261.341 -0.229 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CCOCC1 ZINC000188769593 352158531 /nfs/dbraw/zinc/15/85/31/352158531.db2.gz RXUFSYDVFUQMGQ-WDEREUQCSA-N 2 0 273.352 -0.087 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000192109273 352196439 /nfs/dbraw/zinc/19/64/39/352196439.db2.gz KECHHPURGIUMHY-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000187974725 352145467 /nfs/dbraw/zinc/14/54/67/352145467.db2.gz NFRAOSOWKYJNHS-HZSPNIEDSA-N 2 0 297.399 -0.456 20 0 CBADRP C[C@H]1C[NH+](CCCNC(=O)[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000188052656 352145894 /nfs/dbraw/zinc/14/58/94/352145894.db2.gz NSVOZJONNRLVKW-RWMBFGLXSA-N 2 0 285.388 -0.410 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188037716 352146417 /nfs/dbraw/zinc/14/64/17/352146417.db2.gz FKLLQZSSEGHXMB-QWHCGFSZSA-N 2 0 285.388 -0.552 20 0 CBADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000188108246 352147160 /nfs/dbraw/zinc/14/71/60/352147160.db2.gz PQFQCUAJTRAJDX-HZSPNIEDSA-N 2 0 299.415 -0.020 20 0 CBADRP CC[NH+](CC)CCN(CCOC)C(=O)[C@H]1C[NH2+]CCO1 ZINC000188180817 352148770 /nfs/dbraw/zinc/14/87/70/352148770.db2.gz HESPGOBXTACLHL-CYBMUJFWSA-N 2 0 287.404 -0.208 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221173882 352240079 /nfs/dbraw/zinc/24/00/79/352240079.db2.gz WSLJATVSUUFUII-NXEZZACHSA-N 2 0 256.350 -0.963 20 0 CBADRP C[NH2+]CC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000193139244 352203247 /nfs/dbraw/zinc/20/32/47/352203247.db2.gz SOCNPYBRXBUPHI-KGLIPLIRSA-N 2 0 277.368 -0.043 20 0 CBADRP CCCNC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519118 352227955 /nfs/dbraw/zinc/22/79/55/352227955.db2.gz QGGZHNNKIWRMFY-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000227367855 352257216 /nfs/dbraw/zinc/25/72/16/352257216.db2.gz QFTDHTKOWOEWHR-CYBMUJFWSA-N 2 0 285.388 -0.469 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@H](C[NH3+])OC)CC1 ZINC000227369296 352257364 /nfs/dbraw/zinc/25/73/64/352257364.db2.gz XPXUQVWDLKWXCP-NSHDSACASA-N 2 0 259.350 -0.859 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000227575459 352257803 /nfs/dbraw/zinc/25/78/03/352257803.db2.gz WFNRVPCCBONVLC-YPMHNXCESA-N 2 0 267.373 -0.035 20 0 CBADRP CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226540683 352252878 /nfs/dbraw/zinc/25/28/78/352252878.db2.gz BWIPHUWKKZNONQ-KXUCPTDWSA-N 2 0 256.350 -0.110 20 0 CBADRP C[NH+](C)CCOCCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000234262255 352281880 /nfs/dbraw/zinc/28/18/80/352281880.db2.gz VMLDRNUMLVXATI-NSHDSACASA-N 2 0 259.350 -0.941 20 0 CBADRP CSCC[C@H]([NH3+])C(=O)NCCOCC[NH+](C)C ZINC000235032958 352286825 /nfs/dbraw/zinc/28/68/25/352286825.db2.gz FZEWMHWUQWLMPX-JTQLQIEISA-N 2 0 263.407 -0.239 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000236648533 352291688 /nfs/dbraw/zinc/29/16/88/352291688.db2.gz PHODEMCPXAPTKI-OLZOCXBDSA-N 2 0 298.431 -0.114 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000236781324 352294064 /nfs/dbraw/zinc/29/40/64/352294064.db2.gz SDUOHRCHHMUXTG-LLVKDONJSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[NH2+]C)CC1 ZINC000236838305 352294626 /nfs/dbraw/zinc/29/46/26/352294626.db2.gz VRNWEYREUVGDQR-UHFFFAOYSA-N 2 0 270.377 -0.782 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000236874836 352294674 /nfs/dbraw/zinc/29/46/74/352294674.db2.gz UCIMPANYHRMFTJ-CYBMUJFWSA-N 2 0 268.405 -0.133 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NCC(C)(C)[NH3+])CC1 ZINC000236844367 352295103 /nfs/dbraw/zinc/29/51/03/352295103.db2.gz BYJSCGMENGCAKV-UHFFFAOYSA-N 2 0 256.394 -0.133 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C)C[NH2+]C)CC1 ZINC000236845614 352295162 /nfs/dbraw/zinc/29/51/62/352295162.db2.gz NPCUFSDXIUPLCW-CHWSQXEVSA-N 2 0 270.421 -0.016 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000236891473 352295896 /nfs/dbraw/zinc/29/58/96/352295896.db2.gz SGFZJSXQRVRXEW-CHWSQXEVSA-N 2 0 268.405 -0.119 20 0 CBADRP CCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000236919877 352296288 /nfs/dbraw/zinc/29/62/88/352296288.db2.gz KJZOXAWUTFKZMR-OLZOCXBDSA-N 2 0 296.415 -0.121 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)C[NH2+]C2CC2)CC1 ZINC000236877823 352296392 /nfs/dbraw/zinc/29/63/92/352296392.db2.gz NAIVPPFONQLPGK-UHFFFAOYSA-N 2 0 268.405 -0.118 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[NH2+]C1CC1 ZINC000237027715 352297989 /nfs/dbraw/zinc/29/79/89/352297989.db2.gz GLBJSIGZHIMQGZ-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000237084739 352298409 /nfs/dbraw/zinc/29/84/09/352298409.db2.gz HUWUWKVINBMJTA-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH2+]CCCC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000237136717 352299426 /nfs/dbraw/zinc/29/94/26/352299426.db2.gz WJEULIXCZQBQHQ-UHFFFAOYSA-N 2 0 296.415 -0.247 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000237112805 352299548 /nfs/dbraw/zinc/29/95/48/352299548.db2.gz WIXWSRSRXBUCTD-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000237156578 352300214 /nfs/dbraw/zinc/30/02/14/352300214.db2.gz XCODTHXXTKFKOZ-CYBMUJFWSA-N 2 0 299.415 -0.066 20 0 CBADRP C[NH2+]CC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000237197518 352301486 /nfs/dbraw/zinc/30/14/86/352301486.db2.gz YOVATWTWQMJDSA-LBPRGKRZSA-N 2 0 255.362 -0.223 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000237194527 352301669 /nfs/dbraw/zinc/30/16/69/352301669.db2.gz ZBOHUZDGASKRQE-GFCCVEGCSA-N 2 0 270.421 -0.016 20 0 CBADRP Cc1cn2c(n1)CC[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)C2 ZINC000237883850 352311085 /nfs/dbraw/zinc/31/10/85/352311085.db2.gz AAPGCRZMMYLSKA-MNOVXSKESA-N 2 0 264.329 -0.389 20 0 CBADRP O=C(C[NH2+]C1CC1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000238157660 352314650 /nfs/dbraw/zinc/31/46/50/352314650.db2.gz ACMVYTNSNRIYIB-UHFFFAOYSA-N 2 0 294.399 -0.495 20 0 CBADRP CCN1CCO[C@H](C(=O)NC[C@H]2CN(C3CC3)CCO2)C1 ZINC000245470146 352321855 /nfs/dbraw/zinc/32/18/55/352321855.db2.gz WADJWNJHTLPUNL-KBPBESRZSA-N 2 0 297.399 -0.314 20 0 CBADRP OC[C@@H]1CCCN(CC(O)C[N@@H+]2CCC[C@@H](CO)C2)C1 ZINC000245894699 352326642 /nfs/dbraw/zinc/32/66/42/352326642.db2.gz CUORCZQUUMYSNR-ZIAGYGMSSA-N 2 0 286.416 -0.244 20 0 CBADRP CN1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000246990255 352341205 /nfs/dbraw/zinc/34/12/05/352341205.db2.gz NDHDTRVGIJMRFJ-YPMHNXCESA-N 2 0 267.373 -0.083 20 0 CBADRP CNC(=O)[C@@H]1CCCN1CCC[N@@H+]1CCC[C@H]1C(=O)NC ZINC000246981615 352341430 /nfs/dbraw/zinc/34/14/30/352341430.db2.gz LWQZWBULDXPDLD-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)NC(N)=O)CC[C@H]21 ZINC000247944359 352349129 /nfs/dbraw/zinc/34/91/29/352349129.db2.gz HAPDNYSAIXCCDO-GHMZBOCLSA-N 2 0 268.361 -0.013 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000261885104 352399465 /nfs/dbraw/zinc/39/94/65/352399465.db2.gz SHUSRQJBUQCEPJ-RYUDHWBXSA-N 2 0 255.362 -0.096 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000261903619 352400001 /nfs/dbraw/zinc/40/00/01/352400001.db2.gz XAUHXARAMKWVJX-CHWSQXEVSA-N 2 0 268.405 -0.180 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000252408126 352376019 /nfs/dbraw/zinc/37/60/19/352376019.db2.gz IKENJHYZPILXDX-WISYIIOYSA-N 2 0 253.346 -0.548 20 0 CBADRP Cn1cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(=O)n(C)c1=O ZINC000252668402 352379287 /nfs/dbraw/zinc/37/92/87/352379287.db2.gz WJHLHLKLAVLUHW-STQMWFEESA-N 2 0 292.383 -0.200 20 0 CBADRP COC1(C(=O)NC[C@H]2CCC[N@@H+]2C)CC[NH2+]CC1 ZINC000261577401 352389167 /nfs/dbraw/zinc/38/91/67/352389167.db2.gz OGWHWFOGKCBKMN-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000261608873 352391353 /nfs/dbraw/zinc/39/13/53/352391353.db2.gz BOVARVFRYIUGGB-RYUDHWBXSA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@@]1(C[NH3+])CC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000261726768 352394170 /nfs/dbraw/zinc/39/41/70/352394170.db2.gz JSBZFBVBWPILAB-ZDUSSCGKSA-N 2 0 255.362 -0.094 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CCC[NH2+]1 ZINC000261743329 352394894 /nfs/dbraw/zinc/39/48/94/352394894.db2.gz PJQFDZJNRCLGPN-NWDGAFQWSA-N 2 0 254.378 -0.510 20 0 CBADRP O=C1CNCCN1[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261790517 352396459 /nfs/dbraw/zinc/39/64/59/352396459.db2.gz QEHGAHBVKIFDSN-AWEZNQCLSA-N 2 0 280.416 -0.118 20 0 CBADRP CCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000262147039 352408610 /nfs/dbraw/zinc/40/86/10/352408610.db2.gz QPZVEUZRRKDQHQ-GFCCVEGCSA-N 2 0 282.388 -0.734 20 0 CBADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)NC(C)(C)C ZINC000262196802 352410101 /nfs/dbraw/zinc/41/01/01/352410101.db2.gz RXNZSMOYFIBEPP-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000263268458 352441293 /nfs/dbraw/zinc/44/12/93/352441293.db2.gz VYNOHQQJDAWRKG-YPMHNXCESA-N 2 0 284.404 -0.458 20 0 CBADRP COC[C@@H]1CN(CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000262275485 352412955 /nfs/dbraw/zinc/41/29/55/352412955.db2.gz YTXSQUHYKKKPDG-LBPRGKRZSA-N 2 0 271.361 -0.845 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)C[C@@H]1COCC[NH2+]1)C1CC1 ZINC000262311488 352415633 /nfs/dbraw/zinc/41/56/33/352415633.db2.gz DAGRZXGIMVAKFX-NEPJUHHUSA-N 2 0 255.362 -0.179 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)CNC(=O)C[NH3+])C1CCCCC1 ZINC000262372902 352418839 /nfs/dbraw/zinc/41/88/39/352418839.db2.gz IXDOXXYHRXPRJR-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000262375881 352419068 /nfs/dbraw/zinc/41/90/68/352419068.db2.gz MHWYWMVMIVQPGA-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CNC(=O)C[NH3+])C1 ZINC000262387223 352419088 /nfs/dbraw/zinc/41/90/88/352419088.db2.gz LOOMNPGBDXHXBV-VHSXEESVSA-N 2 0 256.350 -0.950 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000262375878 352419424 /nfs/dbraw/zinc/41/94/24/352419424.db2.gz MHWYWMVMIVQPGA-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CNC(=O)C[NH3+] ZINC000262397716 352420104 /nfs/dbraw/zinc/42/01/04/352420104.db2.gz NESBWSKSGFQJIV-TUAOUCFPSA-N 2 0 284.404 -0.456 20 0 CBADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CNC(=O)C[NH3+])C1 ZINC000262419257 352421090 /nfs/dbraw/zinc/42/10/90/352421090.db2.gz QTEMPTQJJAYNAM-STQMWFEESA-N 2 0 298.431 -0.064 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000262447443 352422404 /nfs/dbraw/zinc/42/24/04/352422404.db2.gz UHERHYBXYOENSU-FRRDWIJNSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@@H](CNC(=O)CNC(=O)C[NH3+])[NH+]1CCC(C)CC1 ZINC000262462087 352422630 /nfs/dbraw/zinc/42/26/30/352422630.db2.gz XTUGNXGFOBIOHA-NSHDSACASA-N 2 0 270.377 -0.702 20 0 CBADRP CC[NH+](CC)CCCCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262471875 352423042 /nfs/dbraw/zinc/42/30/42/352423042.db2.gz WYOLGVVLMBKNQF-RYUDHWBXSA-N 2 0 257.378 -0.053 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262490215 352423631 /nfs/dbraw/zinc/42/36/31/352423631.db2.gz ZFSUNTGFOHOBJT-QJPTWQEYSA-N 2 0 255.362 -0.491 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000262513952 352424246 /nfs/dbraw/zinc/42/42/46/352424246.db2.gz MPFABAJCRQHCAK-NDBYEHHHSA-N 2 0 269.389 -0.054 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262566809 352426654 /nfs/dbraw/zinc/42/66/54/352426654.db2.gz YCGVRGSVGDZQPQ-IJLUTSLNSA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C[NH2+]CC1CC1 ZINC000262628312 352428356 /nfs/dbraw/zinc/42/83/56/352428356.db2.gz CSWLQLKXVFVYSD-GFCCVEGCSA-N 2 0 268.405 -0.262 20 0 CBADRP C[NH+]1CCN(c2ccc(CNC(=O)CC[NH3+])cn2)CC1 ZINC000262663089 352430243 /nfs/dbraw/zinc/43/02/43/352430243.db2.gz ZPMGMKGVXFUKJM-UHFFFAOYSA-N 2 0 277.372 -0.202 20 0 CBADRP CC(C)(O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000262010477 352402931 /nfs/dbraw/zinc/40/29/31/352402931.db2.gz TZTRWZPOTJANBM-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)C[C@@H]21 ZINC000262039921 352404167 /nfs/dbraw/zinc/40/41/67/352404167.db2.gz HOKKVNFRGWJAKW-HZSPNIEDSA-N 3 0 280.416 -0.133 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000262028200 352404259 /nfs/dbraw/zinc/40/42/59/352404259.db2.gz PFQRYKBZBRDFMD-RDBSUJKOSA-N 2 0 299.415 -0.034 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)C[C@@H]21 ZINC000262039923 352404344 /nfs/dbraw/zinc/40/43/44/352404344.db2.gz HOKKVNFRGWJAKW-MELADBBJSA-N 3 0 280.416 -0.133 20 0 CBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000262058061 352405280 /nfs/dbraw/zinc/40/52/80/352405280.db2.gz RKFYHZNYAMKMRT-ZJUUUORDSA-N 2 0 294.321 -0.309 20 0 CBADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000262058060 352405448 /nfs/dbraw/zinc/40/54/48/352405448.db2.gz RKFYHZNYAMKMRT-VHSXEESVSA-N 2 0 294.321 -0.309 20 0 CBADRP NC(=O)C[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262146688 352407961 /nfs/dbraw/zinc/40/79/61/352407961.db2.gz OYIKSQDIOONNAF-LBPRGKRZSA-N 2 0 282.388 -0.604 20 0 CBADRP OC[C@H]1CCC[N@@H+]1CCOCC[NH+]1CCC[C@H]1CO ZINC000304780960 352747562 /nfs/dbraw/zinc/74/75/62/352747562.db2.gz GAIMFTBMOXQKKA-OKILXGFUSA-N 2 0 272.389 -0.084 20 0 CBADRP CN(C)CC(C)(C)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000308634684 352754407 /nfs/dbraw/zinc/75/44/07/352754407.db2.gz FLFPHTBWUFWFHB-LBPRGKRZSA-N 2 0 259.394 -0.391 20 0 CBADRP CN(C)S(=O)(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000310909916 352762936 /nfs/dbraw/zinc/76/29/36/352762936.db2.gz GXGPQUVOFGPSBD-QJPTWQEYSA-N 2 0 275.418 -0.063 20 0 CBADRP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000311092254 352765817 /nfs/dbraw/zinc/76/58/17/352765817.db2.gz ZBMYWWOQDARPIF-WOPDTQHZSA-N 2 0 257.378 -0.115 20 0 CBADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000311671005 352768906 /nfs/dbraw/zinc/76/89/06/352768906.db2.gz ARJUXYOHHXGTAT-LBPRGKRZSA-N 2 0 293.433 -0.435 20 0 CBADRP CN(C(=O)COC1(C)C[NH2+]C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000311761887 352770524 /nfs/dbraw/zinc/77/05/24/352770524.db2.gz VBLGTVZBPMHTOL-GFCCVEGCSA-N 2 0 267.373 -0.083 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000573918612 334977128 /nfs/dbraw/zinc/97/71/28/334977128.db2.gz UXJMJVSXVDNKCL-GHMZBOCLSA-N 2 0 270.377 -0.656 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000573918615 334977166 /nfs/dbraw/zinc/97/71/66/334977166.db2.gz UXJMJVSXVDNKCL-WDEREUQCSA-N 2 0 270.377 -0.656 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000331390846 352910975 /nfs/dbraw/zinc/91/09/75/352910975.db2.gz MGDOFNUKSBUJBS-NQBHXWOUSA-N 2 0 294.399 -0.594 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C[N@@H+]1C1CC1 ZINC000331392674 352912207 /nfs/dbraw/zinc/91/22/07/352912207.db2.gz MUJGTFXBXAOBCB-QJPTWQEYSA-N 2 0 294.399 -0.452 20 0 CBADRP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000332101182 352934960 /nfs/dbraw/zinc/93/49/60/352934960.db2.gz QCNSNSGWUCJSRT-STQMWFEESA-N 2 0 294.399 -0.497 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)[C@H]2C1 ZINC000331515034 352920448 /nfs/dbraw/zinc/92/04/48/352920448.db2.gz MBOLVYSJCGFOCI-AGIUHOORSA-N 2 0 294.399 -0.593 20 0 CBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000331528232 352922579 /nfs/dbraw/zinc/92/25/79/352922579.db2.gz DPPSEAONWRRXNN-LLVKDONJSA-N 2 0 282.388 -0.511 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000331589501 352926176 /nfs/dbraw/zinc/92/61/76/352926176.db2.gz GMPYTXSWRJYKFJ-RYUDHWBXSA-N 2 0 280.372 -0.839 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)[C@@H](C)C[NH2+]1 ZINC000331881336 352927490 /nfs/dbraw/zinc/92/74/90/352927490.db2.gz NTPYVYZBWLYBFM-RYUDHWBXSA-N 2 0 296.415 -0.204 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000331725600 352927854 /nfs/dbraw/zinc/92/78/54/352927854.db2.gz XBHPEQHQRJACIV-JHJVBQTASA-N 2 0 294.399 -0.402 20 0 CBADRP CN1CCO[C@@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000332833162 352987879 /nfs/dbraw/zinc/98/78/79/352987879.db2.gz VKSXTQLKLXKXIB-AAEUAGOBSA-N 2 0 282.388 -0.147 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C[C@H]1[NH3+] ZINC000332218785 352940213 /nfs/dbraw/zinc/94/02/13/352940213.db2.gz IOHPBSNGTREBFQ-IJLUTSLNSA-N 2 0 280.372 -0.901 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000332338005 352944640 /nfs/dbraw/zinc/94/46/40/352944640.db2.gz RNYIEBITENNTEP-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC2([NH3+])CCC2)C[C@H]1C ZINC000332490934 352959106 /nfs/dbraw/zinc/95/91/06/352959106.db2.gz RZRDMQNTWPCFRW-NEPJUHHUSA-N 2 0 284.404 -0.036 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332570441 352966620 /nfs/dbraw/zinc/96/66/20/352966620.db2.gz CMFFHOOEMIJCTE-RWMBFGLXSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@H]1[NH2+]CCN(C(=O)NCCN2CC[NH2+]CC2)[C@H]1C ZINC000333839611 353011760 /nfs/dbraw/zinc/01/17/60/353011760.db2.gz NZXOEAVLHDOXEH-NEPJUHHUSA-N 2 0 269.393 -0.717 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](C)C1 ZINC000333893587 353013680 /nfs/dbraw/zinc/01/36/80/353013680.db2.gz YQYNOBYXYCNEKU-KVSVUVNWSA-N 2 0 282.388 -0.699 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333949254 353014134 /nfs/dbraw/zinc/01/41/34/353014134.db2.gz XCDORWGQNQCLDR-KBPBESRZSA-N 2 0 295.431 -0.230 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000333938554 353014372 /nfs/dbraw/zinc/01/43/72/353014372.db2.gz MNPXYCZRDCYADA-AGIUHOORSA-N 2 0 282.388 -0.018 20 0 CBADRP CC[N@H+](C)CCNC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000336735456 353050415 /nfs/dbraw/zinc/05/04/15/353050415.db2.gz XERQOEUWLDYNRB-LLVKDONJSA-N 2 0 258.366 -0.846 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000339582888 353135449 /nfs/dbraw/zinc/13/54/49/353135449.db2.gz SYIFLGKKQUNTRY-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000339953364 353137660 /nfs/dbraw/zinc/13/76/60/353137660.db2.gz OWOPROBNMRBJQA-UHFFFAOYSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H]([NH3+])CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000340176966 353154684 /nfs/dbraw/zinc/15/46/84/353154684.db2.gz KDKNDPAKMNIBRX-UWVGGRQHSA-N 2 0 256.350 -0.820 20 0 CBADRP C[C@H]([NH3+])CC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000340183843 353154848 /nfs/dbraw/zinc/15/48/48/353154848.db2.gz HVNHOCMNVVUGSV-LBPRGKRZSA-N 2 0 256.394 -0.180 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)C[C@@H](C)[NH3+])CC1 ZINC000340182950 353154876 /nfs/dbraw/zinc/15/48/76/353154876.db2.gz GSCWUSRGKOXRFZ-GFCCVEGCSA-N 2 0 256.394 -0.133 20 0 CBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@H](C)[NH3+])CC1 ZINC000340184016 353154930 /nfs/dbraw/zinc/15/49/30/353154930.db2.gz OVGKNVBLNTUQDH-JTQLQIEISA-N 2 0 271.361 -0.275 20 0 CBADRP C[C@@H]1C[C@H](O)C[NH+]1CCOCC[N@H+]1C[C@@H](O)C[C@H]1C ZINC000340922079 353193271 /nfs/dbraw/zinc/19/32/71/353193271.db2.gz XTDUTYLWJXQJEV-MQYQWHSLSA-N 2 0 272.389 -0.087 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000341253655 353207431 /nfs/dbraw/zinc/20/74/31/353207431.db2.gz DDRBJEHDMDOIJJ-NWDGAFQWSA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C[NH+](C)C ZINC000341259764 353207575 /nfs/dbraw/zinc/20/75/75/353207575.db2.gz LFLDEILNUCQNQC-CHWSQXEVSA-N 2 0 268.405 -0.310 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC[C@@H](C)C[NH+](C)C)CC1 ZINC000341272533 353207782 /nfs/dbraw/zinc/20/77/82/353207782.db2.gz YUYFGLOHNVNEHL-CYBMUJFWSA-N 2 0 270.421 -0.062 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000342765443 353231968 /nfs/dbraw/zinc/23/19/68/353231968.db2.gz OJZPACZCIJZMMJ-SRVKXCTJSA-N 2 0 283.372 -0.038 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000342765252 353232212 /nfs/dbraw/zinc/23/22/12/353232212.db2.gz NASDOSILERECOA-JTQLQIEISA-N 2 0 257.334 -0.521 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000342695884 353228222 /nfs/dbraw/zinc/22/82/22/353228222.db2.gz GLOPRDBWGOOILP-QWRGUYRKSA-N 2 0 271.361 -0.133 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000342712392 353228665 /nfs/dbraw/zinc/22/86/65/353228665.db2.gz RMGZCUDXKZUYQT-MWLCHTKSSA-N 2 0 271.361 -0.134 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343179483 353257986 /nfs/dbraw/zinc/25/79/86/353257986.db2.gz LAQNBLKOJONMQF-KBPBESRZSA-N 2 0 280.416 -0.023 20 0 CBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343413898 353271436 /nfs/dbraw/zinc/27/14/36/353271436.db2.gz WPTPQWKMPOWTMV-KBPBESRZSA-N 2 0 280.416 -0.071 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)CC[N@@H+]1C ZINC000343298076 353265303 /nfs/dbraw/zinc/26/53/03/353265303.db2.gz NHJPMSDFJBRVFE-RYUDHWBXSA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343316632 353266914 /nfs/dbraw/zinc/26/69/14/353266914.db2.gz FUIGOOYDJMHJCX-ZDUSSCGKSA-N 2 0 268.405 -0.167 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343326670 353267919 /nfs/dbraw/zinc/26/79/19/353267919.db2.gz YJJBNFDJYTYFSO-QWHCGFSZSA-N 2 0 266.389 -0.413 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000343592103 353280460 /nfs/dbraw/zinc/28/04/60/353280460.db2.gz KMSCHFWEHRBNEM-KKZNHRDASA-N 2 0 256.350 -0.966 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000343611884 353281101 /nfs/dbraw/zinc/28/11/01/353281101.db2.gz YPAMYEGXVAFVKK-XQQFMLRXSA-N 2 0 268.405 -0.134 20 0 CBADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000343611885 353281165 /nfs/dbraw/zinc/28/11/65/353281165.db2.gz YPAMYEGXVAFVKK-YNEHKIRRSA-N 2 0 268.405 -0.134 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000343871578 353295920 /nfs/dbraw/zinc/29/59/20/353295920.db2.gz LVZYVJWKPPEIRH-WDEREUQCSA-N 2 0 287.360 -0.944 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000343677753 353284807 /nfs/dbraw/zinc/28/48/07/353284807.db2.gz PHFDMDZVXOCPDF-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2C)CC1=O ZINC000346127917 353362958 /nfs/dbraw/zinc/36/29/58/353362958.db2.gz VTQSDMGEXLLGQD-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000346266752 353369031 /nfs/dbraw/zinc/36/90/31/353369031.db2.gz BAKPLTHJXVAQEP-UPJWGTAASA-N 2 0 296.415 -0.040 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000348918979 353440875 /nfs/dbraw/zinc/44/08/75/353440875.db2.gz AHADXGUUMLMQNS-GFCCVEGCSA-N 2 0 256.394 -0.310 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000348987898 353443428 /nfs/dbraw/zinc/44/34/28/353443428.db2.gz AFHZICVFZKDVIR-CYBMUJFWSA-N 2 0 297.399 -0.454 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000348994934 353443896 /nfs/dbraw/zinc/44/38/96/353443896.db2.gz UIGGKTRZQDREGV-UHFFFAOYSA-N 2 0 298.431 -0.493 20 0 CBADRP CC[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)CC[N@@H+]1CCOC ZINC000348992725 353444090 /nfs/dbraw/zinc/44/40/90/353444090.db2.gz ITEACZPCOGAXGC-CYBMUJFWSA-N 2 0 299.415 -0.066 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000348998132 353444251 /nfs/dbraw/zinc/44/42/51/353444251.db2.gz KJBJWEQIORNWHB-NSHDSACASA-N 2 0 253.346 -0.329 20 0 CBADRP COCC[N@H+](C)CCNC(=O)CCOC1C[NH2+]C1 ZINC000349059894 353447161 /nfs/dbraw/zinc/44/71/61/353447161.db2.gz VCSWGOFNWMOOPU-UHFFFAOYSA-N 2 0 259.350 -0.941 20 0 CBADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)CC(N)=O ZINC000349386430 353452926 /nfs/dbraw/zinc/45/29/26/353452926.db2.gz YZCDEAPHIMHQMC-RYUDHWBXSA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000349639112 353458318 /nfs/dbraw/zinc/45/83/18/353458318.db2.gz RCULNOIPPWFGIN-OLZOCXBDSA-N 2 0 285.436 -0.128 20 0 CBADRP CC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000349905348 353466847 /nfs/dbraw/zinc/46/68/47/353466847.db2.gz MNKSVFDUJDWQLG-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP CNC(=O)[C@H]1CCCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351448024 353474751 /nfs/dbraw/zinc/47/47/51/353474751.db2.gz WDMZZALSUSUPKT-NWDGAFQWSA-N 2 0 255.362 -0.348 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000353065420 353519112 /nfs/dbraw/zinc/51/91/12/353519112.db2.gz HZROBEYUJOXRSZ-AWEZNQCLSA-N 2 0 297.447 -0.032 20 0 CBADRP C[N@H+](CCC(N)=O)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000353170638 353524368 /nfs/dbraw/zinc/52/43/68/353524368.db2.gz LAFVHMAXKXSPAY-UHFFFAOYSA-N 2 0 282.388 -0.463 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000353462834 353532824 /nfs/dbraw/zinc/53/28/24/353532824.db2.gz UAVLIZMTMIBKND-NEPJUHHUSA-N 2 0 273.377 -0.567 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354659009 353575348 /nfs/dbraw/zinc/57/53/48/353575348.db2.gz KIZCQSYFESJMEE-UHFFFAOYSA-N 2 0 284.404 -0.393 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354674923 353577061 /nfs/dbraw/zinc/57/70/61/353577061.db2.gz MECONJIXNYKJSA-VXGBXAGGSA-N 2 0 284.404 -0.122 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC[NH+]1CCCCC1 ZINC000354682467 353577490 /nfs/dbraw/zinc/57/74/90/353577490.db2.gz UVFMFMFQVFKDLN-CYBMUJFWSA-N 2 0 296.415 -0.153 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000354695633 353578935 /nfs/dbraw/zinc/57/89/35/353578935.db2.gz RHGSXXBHAZCOKE-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@H](C)C[NH2+]1 ZINC000354748054 353582348 /nfs/dbraw/zinc/58/23/48/353582348.db2.gz BAFRZHYHFQYGMG-UTUOFQBUSA-N 2 0 282.388 -0.547 20 0 CBADRP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(=O)n(C)c1=O ZINC000357110589 353601793 /nfs/dbraw/zinc/60/17/93/353601793.db2.gz ZVPACDWUJROFBP-MNOVXSKESA-N 2 0 278.356 -0.875 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+](C)C ZINC000359228951 353652649 /nfs/dbraw/zinc/65/26/49/353652649.db2.gz JOJXLOUZUDFIDP-NEPJUHHUSA-N 2 0 256.394 -0.311 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000358097977 353626441 /nfs/dbraw/zinc/62/64/41/353626441.db2.gz OCVSPERBLQYKOO-UONOGXRCSA-N 2 0 280.416 -0.214 20 0 CBADRP COCC[NH+]1CCC(NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000358249492 353633513 /nfs/dbraw/zinc/63/35/13/353633513.db2.gz KFROIRBJNYCUAZ-AWEZNQCLSA-N 2 0 271.405 -0.247 20 0 CBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000357904913 353613836 /nfs/dbraw/zinc/61/38/36/353613836.db2.gz BMNRUWDLBPZPKT-ZIAGYGMSSA-N 2 0 297.399 -0.720 20 0 CBADRP O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)[C@H]1C[NH2+]CCO1 ZINC000361099374 353660217 /nfs/dbraw/zinc/66/02/17/353660217.db2.gz VQICRVLGLNVVME-IJLUTSLNSA-N 2 0 253.346 -0.521 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN([C@H]2COC[C@H]2O)CC1 ZINC000361286213 353660792 /nfs/dbraw/zinc/66/07/92/353660792.db2.gz FTMMYGDQICBDKT-QLFBSQMISA-N 2 0 283.416 -0.152 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN([C@@H]2COC[C@H]2O)CC1 ZINC000361286215 353660990 /nfs/dbraw/zinc/66/09/90/353660990.db2.gz FTMMYGDQICBDKT-RBSFLKMASA-N 2 0 283.416 -0.152 20 0 CBADRP CN(CC[N@H+](C)[C@H]1COC[C@@H]1O)C1CC[NH+](C)CC1 ZINC000361328319 353661606 /nfs/dbraw/zinc/66/16/06/353661606.db2.gz KGKZKXPJBWXRRD-KBPBESRZSA-N 2 0 271.405 -0.296 20 0 CBADRP O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)[C@H]1C[NH2+]CCO1 ZINC000363743601 353669938 /nfs/dbraw/zinc/66/99/38/353669938.db2.gz OKGHVMDJEDLBJJ-BFHYXJOUSA-N 2 0 297.399 -0.408 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000365105691 353672933 /nfs/dbraw/zinc/67/29/33/353672933.db2.gz QKMZOZNJYHMRAW-GMNPVEAJSA-N 2 0 253.346 -0.692 20 0 CBADRP COCC[NH2+]CC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000372027623 353709139 /nfs/dbraw/zinc/70/91/39/353709139.db2.gz ZMQNUHPVZGOGRT-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(C)(C)[NH3+])CC2)C1 ZINC000372097958 353710584 /nfs/dbraw/zinc/71/05/84/353710584.db2.gz FHDPPCYLHFTDQR-LBPRGKRZSA-N 2 0 268.405 -0.038 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372098924 353710672 /nfs/dbraw/zinc/71/06/72/353710672.db2.gz OZDZGICOHNNNSV-XQQFMLRXSA-N 2 0 269.389 -0.101 20 0 CBADRP CCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000372399673 353716739 /nfs/dbraw/zinc/71/67/39/353716739.db2.gz RLOZMQLLTKUHGZ-ZIAGYGMSSA-N 2 0 298.431 -0.364 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000372912761 353724177 /nfs/dbraw/zinc/72/41/77/353724177.db2.gz QKMZOZNJYHMRAW-OHBODLIOSA-N 2 0 253.346 -0.692 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@H]1CCCCC[NH2+]1 ZINC000373527275 353732450 /nfs/dbraw/zinc/73/24/50/353732450.db2.gz CKDUQQCSIJPAMN-CYBMUJFWSA-N 2 0 268.405 -0.070 20 0 CBADRP CCOCCN1CCN(C(=O)C[C@H]2COCC[NH2+]2)C[C@H]1C ZINC000375912350 353769416 /nfs/dbraw/zinc/76/94/16/353769416.db2.gz OULONCZEJHNLDT-KGLIPLIRSA-N 2 0 299.415 -0.066 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000376062481 353771084 /nfs/dbraw/zinc/77/10/84/353771084.db2.gz SCAABZLDWJBCRG-AVGNSLFASA-N 2 0 268.405 -0.134 20 0 CBADRP CCN1CCOC[C@H]1C(=O)NCC[N@H+](CC)CCO ZINC000376319191 353774276 /nfs/dbraw/zinc/77/42/76/353774276.db2.gz NZUQGBWDVLYIMT-LBPRGKRZSA-N 2 0 273.377 -0.863 20 0 CBADRP CCN(CC[NH3+])CCOc1ccc(S(N)(=O)=O)cc1 ZINC000381728714 353784262 /nfs/dbraw/zinc/78/42/62/353784262.db2.gz LQILIWCZAAROGS-UHFFFAOYSA-N 2 0 287.385 -0.007 20 0 CBADRP O=C(NCC[N@H+]1CC=CCC1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000373759210 353735887 /nfs/dbraw/zinc/73/58/87/353735887.db2.gz RDCDFPIIKQITOC-AWEZNQCLSA-N 2 0 278.400 -0.246 20 0 CBADRP C[NH+](C)CC1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000407949503 353810019 /nfs/dbraw/zinc/81/00/19/353810019.db2.gz KKGMQWHYYUHOAO-UHFFFAOYSA-N 2 0 263.407 -0.191 20 0 CBADRP COCC[NH2+]CC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000394149880 353794539 /nfs/dbraw/zinc/79/45/39/353794539.db2.gz SAYYDIHEQGHSJJ-LBPRGKRZSA-N 2 0 255.362 -0.225 20 0 CBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000410475292 353929153 /nfs/dbraw/zinc/92/91/53/353929153.db2.gz MMQMMDMYNIAHFE-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000410475291 353929316 /nfs/dbraw/zinc/92/93/16/353929316.db2.gz MMQMMDMYNIAHFE-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418418318 353996691 /nfs/dbraw/zinc/99/66/91/353996691.db2.gz WEPLRJVFXXRALB-TUAOUCFPSA-N 2 0 270.377 -0.209 20 0 CBADRP CC[NH+](CC)CCNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000416805216 353973231 /nfs/dbraw/zinc/97/32/31/353973231.db2.gz XJLOIJLQKBNGMK-LLVKDONJSA-N 2 0 258.366 -0.303 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000418470012 353997972 /nfs/dbraw/zinc/99/79/72/353997972.db2.gz QFZSHVYKFSADPJ-DGCLKSJQSA-N 2 0 272.393 -0.130 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000417003396 353975026 /nfs/dbraw/zinc/97/50/26/353975026.db2.gz HJBGNVIUCQTERA-CHWSQXEVSA-N 2 0 285.436 -0.081 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H](C[NH3+])C2CC2)[C@@H](C)C1 ZINC000418409084 353997155 /nfs/dbraw/zinc/99/71/55/353997155.db2.gz VGXAQJGRGWAXGI-GMXVVIOVSA-N 2 0 284.404 -0.180 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000417440777 353977237 /nfs/dbraw/zinc/97/72/37/353977237.db2.gz OVOKLFSOJBLMOD-LLVKDONJSA-N 2 0 258.366 -0.303 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NCC1([NH3+])CCC1 ZINC000417441586 353977270 /nfs/dbraw/zinc/97/72/70/353977270.db2.gz ASIIHWJHYXSDRE-UHFFFAOYSA-N 2 0 258.366 -0.255 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000417445001 353977385 /nfs/dbraw/zinc/97/73/85/353977385.db2.gz FIHMKGXMMKEGQK-GFCCVEGCSA-N 2 0 272.393 -0.137 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000417440846 353977639 /nfs/dbraw/zinc/97/76/39/353977639.db2.gz PDXPMNQJKULKRM-RYUDHWBXSA-N 2 0 272.393 -0.057 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417439638 353977806 /nfs/dbraw/zinc/97/78/06/353977806.db2.gz MJAADGVWMWAPSX-JTQLQIEISA-N 2 0 294.346 -0.139 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000417715909 353982374 /nfs/dbraw/zinc/98/23/74/353982374.db2.gz TWYJNSPOWSIAJT-NEPJUHHUSA-N 2 0 270.377 -0.256 20 0 CBADRP CC1(C)CCC[NH2+][C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000417806803 353982932 /nfs/dbraw/zinc/98/29/32/353982932.db2.gz GWSGFFMQQQBSHH-LBPRGKRZSA-N 2 0 268.405 -0.214 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)NC(C)(C)C[NH3+] ZINC000417753322 353983009 /nfs/dbraw/zinc/98/30/09/353983009.db2.gz OGTNMXHHKTURCR-UHFFFAOYSA-N 2 0 260.382 -0.009 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000417817639 353983065 /nfs/dbraw/zinc/98/30/65/353983065.db2.gz VFATUMFIHASLET-CHWSQXEVSA-N 2 0 268.405 -0.214 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000417742467 353983143 /nfs/dbraw/zinc/98/31/43/353983143.db2.gz BCVNTTBMJMXMDZ-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)N(C)[C@H](C)C[NH3+] ZINC000417744954 353983205 /nfs/dbraw/zinc/98/32/05/353983205.db2.gz DPPBWCIMHHIASD-LLVKDONJSA-N 2 0 260.382 -0.057 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418442481 353998098 /nfs/dbraw/zinc/99/80/98/353998098.db2.gz NAFBPVGQAAFTAD-WDEREUQCSA-N 2 0 258.366 -0.353 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)NCCOCC[NH+](C)C ZINC000418073978 353987191 /nfs/dbraw/zinc/98/71/91/353987191.db2.gz XCMOCYJCQCQMQI-NSHDSACASA-N 2 0 260.382 -0.281 20 0 CBADRP C[C@@H]1CN(C(=O)NCCOCC[NH+](C)C)[C@H](C)C[NH2+]1 ZINC000418066684 353987323 /nfs/dbraw/zinc/98/73/23/353987323.db2.gz LSVJHWZVRZLENR-VXGBXAGGSA-N 2 0 272.393 -0.044 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)NCCOCC[NH+](C)C)C1 ZINC000418062194 353987665 /nfs/dbraw/zinc/98/76/65/353987665.db2.gz FLCSAWOCQFVFJY-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC[NH3+])CCO ZINC000418189545 353988559 /nfs/dbraw/zinc/98/85/59/353988559.db2.gz VFVHOGZBDDYXCH-LBPRGKRZSA-N 2 0 272.393 -0.177 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000418231805 353989087 /nfs/dbraw/zinc/98/90/87/353989087.db2.gz YFIFSHJKFZLDMJ-LBPRGKRZSA-N 2 0 272.393 -0.009 20 0 CBADRP C[C@@H]1CCN(C(=O)NCCCN2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000418284277 353990466 /nfs/dbraw/zinc/99/04/66/353990466.db2.gz BJSKSECJIRYJKO-KGLIPLIRSA-N 2 0 297.447 -0.092 20 0 CBADRP [NH3+]CCNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418292561 353991011 /nfs/dbraw/zinc/99/10/11/353991011.db2.gz CRKHSZVXGSJSAW-OAHLLOKOSA-N 2 0 292.383 -0.119 20 0 CBADRP CC[NH2+]CCNC(=O)NCCNc1cc[nH+]cc1 ZINC000418315958 353992674 /nfs/dbraw/zinc/99/26/74/353992674.db2.gz JAUJHECZYXKANU-UHFFFAOYSA-N 2 0 251.334 -0.176 20 0 CBADRP CC[NH2+]CCNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000418319557 353992872 /nfs/dbraw/zinc/99/28/72/353992872.db2.gz BVTJQMSTDYRHPO-RYUDHWBXSA-N 2 0 272.393 -0.308 20 0 CBADRP CC[NH2+]CCNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000418313861 353993176 /nfs/dbraw/zinc/99/31/76/353993176.db2.gz COHHVPBCTXMRJF-GFCCVEGCSA-N 2 0 272.393 -0.258 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000418362981 353994616 /nfs/dbraw/zinc/99/46/16/353994616.db2.gz BQBSKUGAAORVBK-CHWSQXEVSA-N 2 0 286.420 -0.012 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000418365194 353994620 /nfs/dbraw/zinc/99/46/20/353994620.db2.gz DVHSLPBZLRCMCL-STQMWFEESA-N 2 0 286.420 -0.012 20 0 CBADRP O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@H]1CC[NH2+]C1 ZINC000418374689 353994650 /nfs/dbraw/zinc/99/46/50/353994650.db2.gz GYCTUIHGMHYVQN-RYUDHWBXSA-N 2 0 270.377 -0.506 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000418368104 353994715 /nfs/dbraw/zinc/99/47/15/353994715.db2.gz RFJYYVGDXLJIDO-RWMBFGLXSA-N 2 0 286.420 -0.062 20 0 CBADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@H]1CCC[NH2+]C1 ZINC000418375632 353994935 /nfs/dbraw/zinc/99/49/35/353994935.db2.gz FAKVZIGYDUETQM-STQMWFEESA-N 2 0 284.404 -0.116 20 0 CBADRP O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@H]1CCC[NH2+]C1 ZINC000418379894 353995944 /nfs/dbraw/zinc/99/59/44/353995944.db2.gz JJTNCANVQJSSME-STQMWFEESA-N 2 0 284.404 -0.116 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000418382605 353995983 /nfs/dbraw/zinc/99/59/83/353995983.db2.gz MLIYCJKAXLLPFV-CHWSQXEVSA-N 2 0 284.404 -0.116 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418391028 353996043 /nfs/dbraw/zinc/99/60/43/353996043.db2.gz PCMQXCKZHJXWRK-DGCLKSJQSA-N 2 0 272.393 -0.090 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000419227140 354039668 /nfs/dbraw/zinc/03/96/68/354039668.db2.gz SEKSPEZTODTOJO-GFCCVEGCSA-N 2 0 282.388 -0.392 20 0 CBADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000419232075 354040262 /nfs/dbraw/zinc/04/02/62/354040262.db2.gz KGBZOIMDJPOFLW-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]([NH3+])C2CC2)C[C@H](C)[N@H+]1CCO ZINC000418487046 353999249 /nfs/dbraw/zinc/99/92/49/353999249.db2.gz KKQAQUWITWGWNF-LOWVWBTDSA-N 2 0 284.404 -0.180 20 0 CBADRP C[C@H](C[NH3+])NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000418509761 353999878 /nfs/dbraw/zinc/99/98/78/353999878.db2.gz GVRUDCFZSIXMPO-GHMZBOCLSA-N 2 0 272.393 -0.180 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418506571 354000058 /nfs/dbraw/zinc/00/00/58/354000058.db2.gz ITEWCVSADWLATR-QWRGUYRKSA-N 2 0 258.366 -0.480 20 0 CBADRP COCC[NH2+]CCNC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000418504330 354000576 /nfs/dbraw/zinc/00/05/76/354000576.db2.gz BGWXXTKCUOVFME-TXEJJXNPSA-N 2 0 272.393 -0.044 20 0 CBADRP C[C@H](C[NH3+])NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000418515355 354000871 /nfs/dbraw/zinc/00/08/71/354000871.db2.gz PYFHKLIQBGKMJV-GHMZBOCLSA-N 2 0 272.393 -0.180 20 0 CBADRP COCC[NH2+]CCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000418512676 354001539 /nfs/dbraw/zinc/00/15/39/354001539.db2.gz UGYHIBUXGKVSCV-YNEHKIRRSA-N 2 0 284.404 -0.009 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418533642 354002628 /nfs/dbraw/zinc/00/26/28/354002628.db2.gz DOMMZPJIPMPISC-CQSZACIVSA-N 2 0 286.420 -0.011 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418643941 354005352 /nfs/dbraw/zinc/00/53/52/354005352.db2.gz UWOAUSOTRWOEDU-ZYHUDNBSSA-N 2 0 258.366 -0.209 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000418699563 354005741 /nfs/dbraw/zinc/00/57/41/354005741.db2.gz NZNDVPHXBMQZDO-LLVKDONJSA-N 2 0 272.393 -0.178 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000418739088 354005853 /nfs/dbraw/zinc/00/58/53/354005853.db2.gz YCUTZOVGXPGMCQ-GRYCIOLGSA-N 2 0 272.393 -0.180 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000418732229 354006225 /nfs/dbraw/zinc/00/62/25/354006225.db2.gz QNMVVBPTVSQDLR-RYUDHWBXSA-N 2 0 272.393 -0.130 20 0 CBADRP C[NH+](C)CCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418769486 354008056 /nfs/dbraw/zinc/00/80/56/354008056.db2.gz RUBJABAQWJEYKP-MRVPVSSYSA-N 2 0 250.293 -0.156 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCO2)[C@@H](C)C[NH2+]1 ZINC000418767196 354008215 /nfs/dbraw/zinc/00/82/15/354008215.db2.gz NTDJORGUAPYEFT-VWYCJHECSA-N 2 0 256.350 -0.633 20 0 CBADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418772202 354008670 /nfs/dbraw/zinc/00/86/70/354008670.db2.gz SKRBJAXQBULPHD-QWHCGFSZSA-N 2 0 284.404 -0.044 20 0 CBADRP CC1(C)CN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000418774708 354008875 /nfs/dbraw/zinc/00/88/75/354008875.db2.gz VOSUFOQXFOPOKZ-JTQLQIEISA-N 2 0 256.350 -0.632 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418812259 354009713 /nfs/dbraw/zinc/00/97/13/354009713.db2.gz WZNVUBICGBMFJR-NSHDSACASA-N 2 0 284.404 -0.312 20 0 CBADRP Cc1ccc([C@H](CNC(=O)C(=O)NCC[NH3+])[NH+](C)C)cc1 ZINC000418805558 354009917 /nfs/dbraw/zinc/00/99/17/354009917.db2.gz BHZCGELIQZKKSL-ZDUSSCGKSA-N 2 0 292.383 -0.211 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000418876522 354014584 /nfs/dbraw/zinc/01/45/84/354014584.db2.gz MMCLGZJQVXCMCK-TXEJJXNPSA-N 2 0 296.415 -0.204 20 0 CBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[NH3+])[C@H]1c1ccccc1 ZINC000418912903 354015673 /nfs/dbraw/zinc/01/56/73/354015673.db2.gz RXIHJFOOFBVPCB-QWHCGFSZSA-N 2 0 290.367 -0.377 20 0 CBADRP CCC[NH+]1CCC(CNC(=O)C(=O)NCC[NH2+]CC)CC1 ZINC000418943712 354016362 /nfs/dbraw/zinc/01/63/62/354016362.db2.gz ZCVIUYOYMLPZGH-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP O=C(NCCC[NH+]1CCCCC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419000854 354021948 /nfs/dbraw/zinc/02/19/48/354021948.db2.gz ORZNDPRKUBETNL-CYBMUJFWSA-N 2 0 296.415 -0.153 20 0 CBADRP [NH3+][C@H](CNC(=O)C(=O)NCCC[NH+]1CCCCC1)C1CC1 ZINC000419009253 354022986 /nfs/dbraw/zinc/02/29/86/354022986.db2.gz WVTJTFIKZQQSHX-CYBMUJFWSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000419008189 354023147 /nfs/dbraw/zinc/02/31/47/354023147.db2.gz VAZKHQCDIGLNBZ-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000419011270 354023222 /nfs/dbraw/zinc/02/32/22/354023222.db2.gz ZTNXMIJCKPQGRD-ZDUSSCGKSA-N 2 0 296.415 -0.072 20 0 CBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419018919 354023661 /nfs/dbraw/zinc/02/36/61/354023661.db2.gz CVUSIUXPAPZSSG-QNWHQSFQSA-N 2 0 298.431 -0.068 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419020831 354024111 /nfs/dbraw/zinc/02/41/11/354024111.db2.gz GETPWUUZGUZQNH-FRRDWIJNSA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCC[NH3+] ZINC000419030615 354024983 /nfs/dbraw/zinc/02/49/83/354024983.db2.gz UBYHNKDNTYHFID-XQQFMLRXSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419028418 354025351 /nfs/dbraw/zinc/02/53/51/354025351.db2.gz QHIRWTZKKBZAIB-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCC[NH2+]C ZINC000419071417 354027491 /nfs/dbraw/zinc/02/74/91/354027491.db2.gz AAJCDUFMHUAFBU-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419099112 354028392 /nfs/dbraw/zinc/02/83/92/354028392.db2.gz HSSTXCFXBJBTIP-UHFFFAOYSA-N 2 0 284.404 -0.360 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419105243 354028534 /nfs/dbraw/zinc/02/85/34/354028534.db2.gz NMGPWTHWBOHKDL-UHFFFAOYSA-N 2 0 284.404 -0.170 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000419105893 354028696 /nfs/dbraw/zinc/02/86/96/354028696.db2.gz OCRIHAQHVZYWGL-SNVBAGLBSA-N 2 0 268.361 -0.854 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419110732 354028752 /nfs/dbraw/zinc/02/87/52/354028752.db2.gz STTPNBMZSUEHFL-SNVBAGLBSA-N 2 0 270.377 -0.689 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419100138 354028875 /nfs/dbraw/zinc/02/88/75/354028875.db2.gz IVMCMROMUQPWRQ-GFCCVEGCSA-N 2 0 282.388 -0.593 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000419112529 354029641 /nfs/dbraw/zinc/02/96/41/354029641.db2.gz VEWUWJAEPXUUFE-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000419137190 354030392 /nfs/dbraw/zinc/03/03/92/354030392.db2.gz OPZRDEVHKNGDFN-RYUDHWBXSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419136215 354030525 /nfs/dbraw/zinc/03/05/25/354030525.db2.gz MUXURSGKJSPKEN-XQQFMLRXSA-N 2 0 296.415 -0.204 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000419132217 354030586 /nfs/dbraw/zinc/03/05/86/354030586.db2.gz DPEMLKLWWHDRMP-NEPJUHHUSA-N 2 0 296.415 -0.027 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCC[NH3+])C1 ZINC000419157359 354034129 /nfs/dbraw/zinc/03/41/29/354034129.db2.gz VCMAFRYMOUAHNU-CYBMUJFWSA-N 2 0 298.431 -0.064 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000419158837 354034368 /nfs/dbraw/zinc/03/43/68/354034368.db2.gz YLGRRQYOHBCJSG-WCQYABFASA-N 2 0 294.399 -0.450 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000419166226 354034899 /nfs/dbraw/zinc/03/48/99/354034899.db2.gz HIKPAVICZZERON-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000419174969 354034997 /nfs/dbraw/zinc/03/49/97/354034997.db2.gz WRTUUPXXQYNGIN-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000419174968 354035081 /nfs/dbraw/zinc/03/50/81/354035081.db2.gz WRTUUPXXQYNGIN-GFCCVEGCSA-N 2 0 284.404 -0.168 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000419219719 354038528 /nfs/dbraw/zinc/03/85/28/354038528.db2.gz HPKSEIJMQUNVJQ-GFCCVEGCSA-N 2 0 282.388 -0.440 20 0 CBADRP [NH3+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419222685 354038573 /nfs/dbraw/zinc/03/85/73/354038573.db2.gz BVXBVQMBIOJEKU-GFCCVEGCSA-N 2 0 282.388 -0.558 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419225024 354039369 /nfs/dbraw/zinc/03/93/69/354039369.db2.gz OFLSBDNZXUEYGO-ZDUSSCGKSA-N 2 0 294.399 -0.392 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)CCC[N@@H+]1C ZINC000419558484 354061590 /nfs/dbraw/zinc/06/15/90/354061590.db2.gz NYIRUFVBHFUSLC-USWWRNFRSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000419554702 354061642 /nfs/dbraw/zinc/06/16/42/354061642.db2.gz ICLKTGHIIQVXRG-WOPDTQHZSA-N 2 0 282.388 -0.594 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000419561057 354061752 /nfs/dbraw/zinc/06/17/52/354061752.db2.gz RWHXITCQIKSEQM-UTUOFQBUSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@H]1[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)CCC[N@@H+]1C ZINC000419560744 354061904 /nfs/dbraw/zinc/06/19/04/354061904.db2.gz RODYEQDMKWAUSG-WDEREUQCSA-N 2 0 268.361 -0.983 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000419874523 354087756 /nfs/dbraw/zinc/08/77/56/354087756.db2.gz WBWJLTDZVFGUQS-OLZOCXBDSA-N 2 0 296.415 -0.219 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000419565216 354062772 /nfs/dbraw/zinc/06/27/72/354062772.db2.gz YMRBULDTSOWGND-VWYCJHECSA-N 2 0 270.377 -0.691 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCC[N@@H+]1C ZINC000419566034 354063055 /nfs/dbraw/zinc/06/30/55/354063055.db2.gz ZMPXEBOAGQBGNR-JHJVBQTASA-N 2 0 296.415 -0.156 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419578056 354063821 /nfs/dbraw/zinc/06/38/21/354063821.db2.gz DTVJKOJXDFRNBD-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419579898 354064238 /nfs/dbraw/zinc/06/42/38/354064238.db2.gz GXNUMRNJHGXAJA-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[N@H+](C)C1CC1 ZINC000419593586 354064920 /nfs/dbraw/zinc/06/49/20/354064920.db2.gz SWONVFZZQQDSIX-TUAOUCFPSA-N 2 0 296.415 -0.206 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[N@H+](C)C1CC1 ZINC000419596384 354065225 /nfs/dbraw/zinc/06/52/25/354065225.db2.gz YAVQXBFWMQSICM-CABZTGNLSA-N 2 0 282.388 -0.561 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1)C1CCCC1 ZINC000419691659 354069880 /nfs/dbraw/zinc/06/98/80/354069880.db2.gz FKGGFZFMUSWXGO-NSHDSACASA-N 2 0 282.388 -0.463 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419691707 354070078 /nfs/dbraw/zinc/07/00/78/354070078.db2.gz FODJXWDEIFUTDE-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419689194 354070332 /nfs/dbraw/zinc/07/03/32/354070332.db2.gz ACZVNMSKRSNIIM-NEPJUHHUSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000419694225 354070396 /nfs/dbraw/zinc/07/03/96/354070396.db2.gz JEOCFSWWIFUSRR-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419697052 354070429 /nfs/dbraw/zinc/07/04/29/354070429.db2.gz PZPVDIHRFYKENR-UHFFFAOYSA-N 2 0 270.377 -0.687 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000419696865 354070581 /nfs/dbraw/zinc/07/05/81/354070581.db2.gz PLPXUOFANGKBQP-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000419700735 354071400 /nfs/dbraw/zinc/07/14/00/354071400.db2.gz XXZXAFSNSSWQJG-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000419736761 354073840 /nfs/dbraw/zinc/07/38/40/354073840.db2.gz SDMHZDRDLULJMR-AAEUAGOBSA-N 2 0 296.415 -0.170 20 0 CBADRP CC(C)([NH3+])CNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000419732388 354073966 /nfs/dbraw/zinc/07/39/66/354073966.db2.gz MLDSQTALIGKBKJ-GFCCVEGCSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000419736762 354074011 /nfs/dbraw/zinc/07/40/11/354074011.db2.gz SDMHZDRDLULJMR-DGCLKSJQSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419737333 354074053 /nfs/dbraw/zinc/07/40/53/354074053.db2.gz SWEKDNOBPLGXSS-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419763508 354075648 /nfs/dbraw/zinc/07/56/48/354075648.db2.gz OCUHFSLUHZRBJE-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000419766542 354075683 /nfs/dbraw/zinc/07/56/83/354075683.db2.gz RMTGJLSAXUNMAS-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000419769685 354076218 /nfs/dbraw/zinc/07/62/18/354076218.db2.gz VUZCVVYTRPJTNP-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419768423 354076325 /nfs/dbraw/zinc/07/63/25/354076325.db2.gz UKFVLBYOTFUDSN-JTQLQIEISA-N 2 0 258.366 -0.702 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419768490 354076434 /nfs/dbraw/zinc/07/64/34/354076434.db2.gz UQCCVRYDXYCLQU-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000419780901 354077036 /nfs/dbraw/zinc/07/70/36/354077036.db2.gz NHRQGQHBVRVDHQ-JHJVBQTASA-N 2 0 298.431 -0.053 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419776202 354077128 /nfs/dbraw/zinc/07/71/28/354077128.db2.gz JNRGMXWGYVFKHG-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419783822 354077459 /nfs/dbraw/zinc/07/74/59/354077459.db2.gz VQMLKNJBVDTBEX-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[NH+](CCNC(=O)C(=O)N[C@@H](C)C[NH3+])C(C)C ZINC000419795715 354078666 /nfs/dbraw/zinc/07/86/66/354078666.db2.gz LFRXYGPYKMIPGP-NSHDSACASA-N 2 0 272.393 -0.315 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000419798095 354078672 /nfs/dbraw/zinc/07/86/72/354078672.db2.gz WLAAEFVCCLLYJF-UHFFFAOYSA-N 2 0 286.420 -0.053 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000419812005 354079470 /nfs/dbraw/zinc/07/94/70/354079470.db2.gz GILOYEXBDGECPG-JHJVBQTASA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000419812000 354079581 /nfs/dbraw/zinc/07/95/81/354079581.db2.gz GILOYEXBDGECPG-AGIUHOORSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000419819990 354080032 /nfs/dbraw/zinc/08/00/32/354080032.db2.gz KEHBDNLVJCWQNK-GFCCVEGCSA-N 2 0 284.404 -0.440 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000419817915 354080043 /nfs/dbraw/zinc/08/00/43/354080043.db2.gz RUIFCHFJKLHNKM-ZDUSSCGKSA-N 2 0 292.383 -0.177 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[NH3+])c1cccc(F)c1 ZINC000419820884 354080367 /nfs/dbraw/zinc/08/03/67/354080367.db2.gz SQENSZMDSGJOND-GFCCVEGCSA-N 2 0 296.346 -0.381 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000419883359 354088524 /nfs/dbraw/zinc/08/85/24/354088524.db2.gz DDLBWARBVRGNGY-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000419880024 354088535 /nfs/dbraw/zinc/08/85/35/354088535.db2.gz UBCNNQHLGAYISA-UHFFFAOYSA-N 2 0 272.393 -0.632 20 0 CBADRP C[C@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])C[NH+]1CCCC1 ZINC000419823627 354080474 /nfs/dbraw/zinc/08/04/74/354080474.db2.gz MDPVEDGTRGZHBB-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCCC[NH3+] ZINC000419825689 354081156 /nfs/dbraw/zinc/08/11/56/354081156.db2.gz BBUDQRDCKWNBDO-UHFFFAOYSA-N 2 0 272.393 -0.502 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000419826409 354081313 /nfs/dbraw/zinc/08/13/13/354081313.db2.gz NYNSDSPHGPPVMN-OLZOCXBDSA-N 2 0 298.431 -0.066 20 0 CBADRP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCCC[NH3+] ZINC000419831122 354081488 /nfs/dbraw/zinc/08/14/88/354081488.db2.gz LITWJYBNGDMBOC-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)C[NH+]1CCCC1 ZINC000419830617 354081511 /nfs/dbraw/zinc/08/15/11/354081511.db2.gz QRFBYNWYMRVZAS-AAEUAGOBSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)C[NH+]1CCCC1 ZINC000419832554 354082274 /nfs/dbraw/zinc/08/22/74/354082274.db2.gz RPRZEPNKFPKJJA-ZDUSSCGKSA-N 2 0 296.415 -0.344 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000419881140 354088596 /nfs/dbraw/zinc/08/85/96/354088596.db2.gz ATMLSQYRODESST-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCC[NH2+]C)C1 ZINC000419842488 354084042 /nfs/dbraw/zinc/08/40/42/354084042.db2.gz HWTSTHASHYRNRY-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419857505 354085618 /nfs/dbraw/zinc/08/56/18/354085618.db2.gz GJNXCTTZXQOUBL-LBPRGKRZSA-N 2 0 296.415 -0.217 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419864159 354086149 /nfs/dbraw/zinc/08/61/49/354086149.db2.gz OBODHZCKJHBEMF-GFCCVEGCSA-N 2 0 284.404 -0.360 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419292362 354044226 /nfs/dbraw/zinc/04/42/26/354044226.db2.gz YMCRGGPKKGGATF-LBPRGKRZSA-N 2 0 286.420 -0.066 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419293034 354044251 /nfs/dbraw/zinc/04/42/51/354044251.db2.gz ZWOXRDWSSQDTKE-UHFFFAOYSA-N 2 0 270.377 -0.734 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419285500 354044767 /nfs/dbraw/zinc/04/47/67/354044767.db2.gz MNDNVIBPYYBPKL-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419310806 354045795 /nfs/dbraw/zinc/04/57/95/354045795.db2.gz BCXSUIHXDHHMMA-ICCXJUOJSA-N 2 0 294.399 -0.561 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000419315211 354045861 /nfs/dbraw/zinc/04/58/61/354045861.db2.gz JNIVYRHEPYFJTD-VXGBXAGGSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C[N@@H+]1C1CC1 ZINC000419317466 354045994 /nfs/dbraw/zinc/04/59/94/354045994.db2.gz MUJGTFXBXAOBCB-SRVKXCTJSA-N 2 0 294.399 -0.452 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419312838 354046082 /nfs/dbraw/zinc/04/60/82/354046082.db2.gz CXYDVNBEOXTAGB-NTZNESFSSA-N 2 0 294.399 -0.465 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C[N@@H+]1C1CC1 ZINC000419317464 354046173 /nfs/dbraw/zinc/04/61/73/354046173.db2.gz MUJGTFXBXAOBCB-SDDRHHMPSA-N 2 0 294.399 -0.452 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000419319117 354046250 /nfs/dbraw/zinc/04/62/50/354046250.db2.gz OKGBFKJCZLYAQB-IJLUTSLNSA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000419325983 354046806 /nfs/dbraw/zinc/04/68/06/354046806.db2.gz XVGJHIPEBIIJGN-ZJUUUORDSA-N 2 0 282.388 -0.419 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])CCC2)C[N@@H+]1C1CC1 ZINC000419324555 354046939 /nfs/dbraw/zinc/04/69/39/354046939.db2.gz VRQAZFBAGZQEMT-GHMZBOCLSA-N 2 0 294.399 -0.275 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000419324314 354047044 /nfs/dbraw/zinc/04/70/44/354047044.db2.gz VNKLEOXSVJOLCF-GRYCIOLGSA-N 2 0 294.399 -0.323 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000419402623 354051418 /nfs/dbraw/zinc/05/14/18/354051418.db2.gz CMNXLWIORACLBA-LBPRGKRZSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419402689 354051464 /nfs/dbraw/zinc/05/14/64/354051464.db2.gz CVPGDRACMIKZSP-OLZOCXBDSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000419408865 354052265 /nfs/dbraw/zinc/05/22/65/354052265.db2.gz MFUVFCYVMHEBME-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000419410004 354052338 /nfs/dbraw/zinc/05/23/38/354052338.db2.gz NWTALLJIIPRYNG-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419415101 354052540 /nfs/dbraw/zinc/05/25/40/354052540.db2.gz FUAJRLZFTCBJDR-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000419409649 354052579 /nfs/dbraw/zinc/05/25/79/354052579.db2.gz NJCSGIKIIIAJLB-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)CC[NH3+])C1 ZINC000419410489 354052588 /nfs/dbraw/zinc/05/25/88/354052588.db2.gz OMPTZKXBPAXVOX-NSHDSACASA-N 2 0 270.377 -0.748 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419415136 354052623 /nfs/dbraw/zinc/05/26/23/354052623.db2.gz USTQTHBGSHAMRG-LBPRGKRZSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NCC[NH3+])C1 ZINC000419423443 354053307 /nfs/dbraw/zinc/05/33/07/354053307.db2.gz NJFLYWHGTJSUCV-TXEJJXNPSA-N 2 0 284.404 -0.455 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000419416533 354053810 /nfs/dbraw/zinc/05/38/10/354053810.db2.gz WGRMIDGMXLZQHY-NSHDSACASA-N 2 0 270.377 -0.830 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000419519021 354057707 /nfs/dbraw/zinc/05/77/07/354057707.db2.gz FFMVUPGCSXMYDX-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419525647 354058069 /nfs/dbraw/zinc/05/80/69/354058069.db2.gz RXFLMGFSNBYGOS-CMPLNLGQSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000419526356 354058248 /nfs/dbraw/zinc/05/82/48/354058248.db2.gz STNRKFGXZFICAX-RWMBFGLXSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419524520 354058510 /nfs/dbraw/zinc/05/85/10/354058510.db2.gz PXLGORROQHOYSO-VXGBXAGGSA-N 2 0 286.420 -0.195 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419526141 354058697 /nfs/dbraw/zinc/05/86/97/354058697.db2.gz SOLLZZAGGNCAIG-NXEZZACHSA-N 2 0 258.366 -0.704 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419524936 354058761 /nfs/dbraw/zinc/05/87/61/354058761.db2.gz QPNOGXDGUUSHHI-UPJWGTAASA-N 2 0 296.415 -0.489 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)C1CC1 ZINC000419530300 354058779 /nfs/dbraw/zinc/05/87/79/354058779.db2.gz YVDPWPQQAZDPIC-GFCCVEGCSA-N 2 0 282.388 -0.560 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419527014 354058798 /nfs/dbraw/zinc/05/87/98/354058798.db2.gz URIARJDIFFLSSE-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419527454 354058855 /nfs/dbraw/zinc/05/88/55/354058855.db2.gz VBVCQSDMHUHJKW-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)CCC[N@@H+]1C ZINC000419540860 354059522 /nfs/dbraw/zinc/05/95/22/354059522.db2.gz CSMVMWOBZNKIRM-IJLUTSLNSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H](NC(=O)C(=O)N1CC[NH2+]CC1)C(C)(C)C[NH+](C)C ZINC000419547344 354060098 /nfs/dbraw/zinc/06/00/98/354060098.db2.gz PJBATWQASFCZIT-NSHDSACASA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000419550503 354060186 /nfs/dbraw/zinc/06/01/86/354060186.db2.gz UUDPMLJWBFVTCQ-WDEREUQCSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C(C)(C)C[NH+](C)C ZINC000419548855 354060302 /nfs/dbraw/zinc/06/03/02/354060302.db2.gz RYRIEWZROOHTJF-SNVBAGLBSA-N 2 0 286.420 -0.068 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000419551272 354061245 /nfs/dbraw/zinc/06/12/45/354061245.db2.gz VYKXFWYQPSHDAW-NSHDSACASA-N 2 0 286.420 -0.195 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000419561769 354061251 /nfs/dbraw/zinc/06/12/51/354061251.db2.gz UFNRKOHCPLMXCA-GMTAPVOTSA-N 2 0 270.377 -0.704 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000419555102 354061453 /nfs/dbraw/zinc/06/14/53/354061453.db2.gz IYZWPIAGGBEZCK-SDDRHHMPSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H]1CCCN(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])C1 ZINC000420446283 354128751 /nfs/dbraw/zinc/12/87/51/354128751.db2.gz BANZPTJUZKPWAY-GFCCVEGCSA-N 2 0 292.449 -0.037 20 0 CBADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419887561 354089522 /nfs/dbraw/zinc/08/95/22/354089522.db2.gz QPPNKEBWVFSVRR-UPJWGTAASA-N 2 0 296.415 -0.156 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419884213 354089657 /nfs/dbraw/zinc/08/96/57/354089657.db2.gz FNCFBSOSMWKVCQ-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419894241 354090973 /nfs/dbraw/zinc/09/09/73/354090973.db2.gz QSWJEJURGLTDDR-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)C(C)C ZINC000419905122 354092072 /nfs/dbraw/zinc/09/20/72/354092072.db2.gz YMWCHCNRMUNUDJ-GFCCVEGCSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000419906057 354092640 /nfs/dbraw/zinc/09/26/40/354092640.db2.gz ZQHXKZDAARBEGD-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000419919329 354093569 /nfs/dbraw/zinc/09/35/69/354093569.db2.gz LADGBFHGXZEFBP-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C[C@@H]1[NH+](C)C ZINC000419930521 354094447 /nfs/dbraw/zinc/09/44/47/354094447.db2.gz BGTUTNJRQHIGRB-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419938362 354094571 /nfs/dbraw/zinc/09/45/71/354094571.db2.gz PLFCNKQYOSEPOU-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000419949630 354096385 /nfs/dbraw/zinc/09/63/85/354096385.db2.gz GIJVNCCPRKUUPF-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419958128 354097384 /nfs/dbraw/zinc/09/73/84/354097384.db2.gz PWKHWIODFOGWOT-LBPRGKRZSA-N 2 0 286.420 -0.112 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000419964315 354098366 /nfs/dbraw/zinc/09/83/66/354098366.db2.gz FTXOLDBXQVJZOA-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000419991903 354100141 /nfs/dbraw/zinc/10/01/41/354100141.db2.gz JAIPJNWEYFEHIU-LBPRGKRZSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419996469 354101025 /nfs/dbraw/zinc/10/10/25/354101025.db2.gz NJTRDRQMCVWTJS-GFCCVEGCSA-N 2 0 286.420 -0.114 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000419993384 354101208 /nfs/dbraw/zinc/10/12/08/354101208.db2.gz IKZAGBOUSZACIV-LBPRGKRZSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000420012793 354102005 /nfs/dbraw/zinc/10/20/05/354102005.db2.gz JUEBIFWOHHQKDQ-IJLUTSLNSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000420010452 354102035 /nfs/dbraw/zinc/10/20/35/354102035.db2.gz XLNMCZGMIVPBJJ-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000420020991 354102740 /nfs/dbraw/zinc/10/27/40/354102740.db2.gz GRGPEWNTXIFGKK-GRYCIOLGSA-N 2 0 284.404 -0.314 20 0 CBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000420020564 354102769 /nfs/dbraw/zinc/10/27/69/354102769.db2.gz FWJQFEJCOVWOOC-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420068424 354106976 /nfs/dbraw/zinc/10/69/76/354106976.db2.gz UVRJJPOFBAETNH-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP CC(C)([NH3+])CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000420073835 354107281 /nfs/dbraw/zinc/10/72/81/354107281.db2.gz GUTPIYUFCQYMBO-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420078484 354108557 /nfs/dbraw/zinc/10/85/57/354108557.db2.gz PAGCRUKTGCBFFI-UHFFFAOYSA-N 2 0 272.393 -0.360 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000420111244 354109294 /nfs/dbraw/zinc/10/92/94/354109294.db2.gz GIPJTEMZQSKRQC-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000420154820 354114284 /nfs/dbraw/zinc/11/42/84/354114284.db2.gz JLRLAMCNAYMEEJ-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000420162734 354115221 /nfs/dbraw/zinc/11/52/21/354115221.db2.gz YRJYHMGFMICFQZ-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)N1CC[NH2+]CC1 ZINC000420270833 354120736 /nfs/dbraw/zinc/12/07/36/354120736.db2.gz JPJKKFWGIJPGIA-ZDUSSCGKSA-N 3 0 268.405 -0.260 20 0 CBADRP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321576 354122554 /nfs/dbraw/zinc/12/25/54/354122554.db2.gz CXCCWKFAGZBLCU-QWHCGFSZSA-N 2 0 297.399 -0.013 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420312008 354123126 /nfs/dbraw/zinc/12/31/26/354123126.db2.gz HNDHMEXANOBMEY-MNOVXSKESA-N 2 0 271.361 -0.323 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000423234642 354165266 /nfs/dbraw/zinc/16/52/66/354165266.db2.gz MFPKBZWPRBJZJG-GFCCVEGCSA-N 2 0 298.431 -0.018 20 0 CBADRP O=C(C(=O)N1CC[NH2+]CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000423201856 354165327 /nfs/dbraw/zinc/16/53/27/354165327.db2.gz PYGDAFNIUJDAKX-ZDUSSCGKSA-N 2 0 294.399 -0.495 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)C1 ZINC000423245390 354165530 /nfs/dbraw/zinc/16/55/30/354165530.db2.gz OWQMQDOMELYVBA-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)C1 ZINC000423245392 354165815 /nfs/dbraw/zinc/16/58/15/354165815.db2.gz OWQMQDOMELYVBA-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000423214023 354165995 /nfs/dbraw/zinc/16/59/95/354165995.db2.gz ODIQBPFKAMKIJH-LBPRGKRZSA-N 2 0 282.388 -0.639 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]1 ZINC000423267001 354166643 /nfs/dbraw/zinc/16/66/43/354166643.db2.gz DNFAOSUBZGITOA-DGCLKSJQSA-N 2 0 294.399 -0.498 20 0 CBADRP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423285710 354166792 /nfs/dbraw/zinc/16/67/92/354166792.db2.gz ZVPLRDJVPGLXDE-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]1 ZINC000423267006 354166897 /nfs/dbraw/zinc/16/68/97/354166897.db2.gz DNFAOSUBZGITOA-YPMHNXCESA-N 2 0 294.399 -0.498 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]1 ZINC000423266995 354166934 /nfs/dbraw/zinc/16/69/34/354166934.db2.gz DNFAOSUBZGITOA-AAEUAGOBSA-N 2 0 294.399 -0.498 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]([NH3+])CC(=O)OC)C(C)C ZINC000423361657 354172761 /nfs/dbraw/zinc/17/27/61/354172761.db2.gz AKRHCUBYTQSBFT-JTQLQIEISA-N 2 0 259.350 -0.277 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH2+]1 ZINC000423367880 354172837 /nfs/dbraw/zinc/17/28/37/354172837.db2.gz ASQIVDKDODSCEN-UPJWGTAASA-N 2 0 294.399 -0.498 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000423386834 354173440 /nfs/dbraw/zinc/17/34/40/354173440.db2.gz RSXLGWQCORUOOJ-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000423431084 354175996 /nfs/dbraw/zinc/17/59/96/354175996.db2.gz NJTODSPITPBGHC-LBPRGKRZSA-N 2 0 268.405 -0.262 20 0 CBADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423418504 354176022 /nfs/dbraw/zinc/17/60/22/354176022.db2.gz URYHMAVVHBQZBX-UHFFFAOYSA-N 2 0 298.431 -0.001 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000423439337 354176814 /nfs/dbraw/zinc/17/68/14/354176814.db2.gz WICMFJLCFSBKCI-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000422537457 354149514 /nfs/dbraw/zinc/14/95/14/354149514.db2.gz GUWNBEQIWZRARL-QWHCGFSZSA-N 2 0 291.351 -0.120 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C12CCC[NH+]1CCC2 ZINC000422759801 354153854 /nfs/dbraw/zinc/15/38/54/354153854.db2.gz LNOSUDTZBIIQCM-UHFFFAOYSA-N 2 0 294.399 -0.495 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422975815 354158345 /nfs/dbraw/zinc/15/83/45/354158345.db2.gz UEZJZAHCZSXFNV-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422972966 354158473 /nfs/dbraw/zinc/15/84/73/354158473.db2.gz NGEVKSJNIYEGLK-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000422970866 354158615 /nfs/dbraw/zinc/15/86/15/354158615.db2.gz HHOFYQXMHVPYMW-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H]1CCN(C(=O)C(=O)N(C)CC[NH+](C)C)C[C@@H]1C[NH3+] ZINC000423057748 354161339 /nfs/dbraw/zinc/16/13/39/354161339.db2.gz ANWFUYUEEXILHD-NEPJUHHUSA-N 2 0 284.404 -0.550 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC(C)C)C1 ZINC000423058597 354161569 /nfs/dbraw/zinc/16/15/69/354161569.db2.gz CSIYCFJASCWYGR-ZDUSSCGKSA-N 2 0 298.431 -0.147 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423064852 354161631 /nfs/dbraw/zinc/16/16/31/354161631.db2.gz SEYWZJQHZASWHG-UHFFFAOYSA-N 2 0 270.377 -0.783 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000423198246 354164522 /nfs/dbraw/zinc/16/45/22/354164522.db2.gz DVJTUCPOTUGVIE-GFCCVEGCSA-N 2 0 282.388 -0.510 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000423556692 354179883 /nfs/dbraw/zinc/17/98/83/354179883.db2.gz KIWSYCAMVRGQIT-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000423578571 354180848 /nfs/dbraw/zinc/18/08/48/354180848.db2.gz LPKCJKFQNVNFDB-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000423597429 354182444 /nfs/dbraw/zinc/18/24/44/354182444.db2.gz UCDRWUYNPZSSBN-CHWSQXEVSA-N 2 0 296.415 -0.252 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000423606905 354183905 /nfs/dbraw/zinc/18/39/05/354183905.db2.gz LVIKPLGVPSGIAA-RYUDHWBXSA-N 2 0 282.388 -0.641 20 0 CBADRP CCN1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423623836 354185443 /nfs/dbraw/zinc/18/54/43/354185443.db2.gz CICBSZIABABGSN-NWDGAFQWSA-N 2 0 282.388 -0.641 20 0 CBADRP COC[C@@]1(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CCC[NH2+]1 ZINC000423631039 354187049 /nfs/dbraw/zinc/18/70/49/354187049.db2.gz FXRDPANTZKEEAY-ZFWWWQNUSA-N 2 0 299.415 -0.020 20 0 CBADRP C[C@H]1CCN(C(=O)C2([NH3+])CCOCC2)C[C@H]1C[NH3+] ZINC000424187747 354217222 /nfs/dbraw/zinc/21/72/22/354217222.db2.gz BGMUQISAOSOCTI-WDEREUQCSA-N 2 0 255.362 -0.062 20 0 CBADRP C[C@@H]1CCN(C(=O)C2([NH3+])CCOCC2)C[C@H]1C[NH3+] ZINC000424187743 354217228 /nfs/dbraw/zinc/21/72/28/354217228.db2.gz BGMUQISAOSOCTI-GHMZBOCLSA-N 2 0 255.362 -0.062 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)[C@H](C)C[NH2+]1 ZINC000423645558 354188628 /nfs/dbraw/zinc/18/86/28/354188628.db2.gz YVGAMOYITSBSBM-GHMZBOCLSA-N 2 0 270.377 -0.785 20 0 CBADRP CCN1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000423667381 354189978 /nfs/dbraw/zinc/18/99/78/354189978.db2.gz JJEPADHDAHYNLN-NEPJUHHUSA-N 2 0 282.388 -0.654 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1COCCN1C1CCCC1 ZINC000423663395 354190403 /nfs/dbraw/zinc/19/04/03/354190403.db2.gz GCZFJEPMTWFHBI-YUTCNCBUSA-N 2 0 297.399 -0.674 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C)CC1 ZINC000423701790 354192693 /nfs/dbraw/zinc/19/26/93/354192693.db2.gz AIEBRLWEGWEDAI-GFCCVEGCSA-N 2 0 282.388 -0.639 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC[NH2+]1 ZINC000423731810 354194580 /nfs/dbraw/zinc/19/45/80/354194580.db2.gz YNHMLNVMYLWGMT-NEPJUHHUSA-N 2 0 282.388 -0.641 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423733899 354194630 /nfs/dbraw/zinc/19/46/30/354194630.db2.gz QLOZTBWLQKSDLC-YPMHNXCESA-N 2 0 294.399 -0.641 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)C1 ZINC000423729263 354195055 /nfs/dbraw/zinc/19/50/55/354195055.db2.gz UZEBNCUZLCLIOC-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000423807137 354200602 /nfs/dbraw/zinc/20/06/02/354200602.db2.gz VIWHEOCVSZTRNA-JHJVBQTASA-N 2 0 269.389 -0.054 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000423799907 354200786 /nfs/dbraw/zinc/20/07/86/354200786.db2.gz KVWMOOCONIJEDD-LLVKDONJSA-N 2 0 270.377 -0.702 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000423844078 354202337 /nfs/dbraw/zinc/20/23/37/354202337.db2.gz IREBNYOTYKHOFC-GFCCVEGCSA-N 2 0 255.362 -0.083 20 0 CBADRP [NH3+]C[C@H](NC(=O)CCOC1C[NH2+]C1)C1CCCC1 ZINC000423935890 354205474 /nfs/dbraw/zinc/20/54/74/354205474.db2.gz BDWOGSMOHHKENN-LBPRGKRZSA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H](C[NH3+])C(C)(C)C)CC1=O ZINC000423954376 354205941 /nfs/dbraw/zinc/20/59/41/354205941.db2.gz MVKZEYWKJRNSTI-NEPJUHHUSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@@H]1CCN(C(=O)CCOC2C[NH2+]C2)C[C@@H]1C[NH3+] ZINC000424000765 354206763 /nfs/dbraw/zinc/20/67/63/354206763.db2.gz OPFIFZIYBNERCB-MNOVXSKESA-N 2 0 255.362 -0.192 20 0 CBADRP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000424060260 354208394 /nfs/dbraw/zinc/20/83/94/354208394.db2.gz PUOWWKNANDXBKJ-SNVBAGLBSA-N 2 0 263.345 -0.078 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424075516 354208818 /nfs/dbraw/zinc/20/88/18/354208818.db2.gz JLMIDQWNBLUGFW-GHMZBOCLSA-N 2 0 278.360 -0.316 20 0 CBADRP [NH3+]C[C@@H](NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)C1CC1 ZINC000424084403 354209081 /nfs/dbraw/zinc/20/90/81/354209081.db2.gz YGQLUSZMBYGPKM-WDEREUQCSA-N 2 0 278.360 -0.330 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424129059 354210025 /nfs/dbraw/zinc/21/00/25/354210025.db2.gz FYWYXBUUNXUXMH-VXGBXAGGSA-N 2 0 292.387 -0.116 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424129057 354210090 /nfs/dbraw/zinc/21/00/90/354210090.db2.gz FYWYXBUUNXUXMH-RYUDHWBXSA-N 2 0 292.387 -0.116 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2C[C@@H]2[NH3+])C[C@H](C)O1 ZINC000424133949 354210767 /nfs/dbraw/zinc/21/07/67/354210767.db2.gz MZMVTPULENXTSA-KXNHARMFSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424155423 354212116 /nfs/dbraw/zinc/21/21/16/354212116.db2.gz NXBABNLPJLOUSG-NXEZZACHSA-N 2 0 266.349 -0.473 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424155429 354212533 /nfs/dbraw/zinc/21/25/33/354212533.db2.gz NXBABNLPJLOUSG-ZJUUUORDSA-N 2 0 266.349 -0.473 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)C1 ZINC000423508280 354178373 /nfs/dbraw/zinc/17/83/73/354178373.db2.gz KROKANGPGGSTRX-GFCCVEGCSA-N 2 0 296.415 -0.251 20 0 CBADRP O=C(COC1C[NH2+]C1)NCCC[NH+]1CCCCC1 ZINC000430832804 354250498 /nfs/dbraw/zinc/25/04/98/354250498.db2.gz JMAMNASEXNWLIC-UHFFFAOYSA-N 2 0 255.362 -0.033 20 0 CBADRP C[C@H](CNC(=O)C(C)(C)[NH3+])C[NH+]1CCN(C)CC1 ZINC000431002980 354251332 /nfs/dbraw/zinc/25/13/32/354251332.db2.gz FAUDVJKYCPHOHV-LLVKDONJSA-N 2 0 256.394 -0.277 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000431013216 354251422 /nfs/dbraw/zinc/25/14/22/354251422.db2.gz HWKVZCCIMGWZOO-STQMWFEESA-N 2 0 270.421 -0.158 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000431013213 354251609 /nfs/dbraw/zinc/25/16/09/354251609.db2.gz HWKVZCCIMGWZOO-CHWSQXEVSA-N 2 0 270.421 -0.158 20 0 CBADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000442757400 354259018 /nfs/dbraw/zinc/25/90/18/354259018.db2.gz GQQZGSITUCUOLP-SGMGOOAPSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442785821 354259501 /nfs/dbraw/zinc/25/95/01/354259501.db2.gz YLGNLIZEYSPMMH-YVECIDJPSA-N 2 0 296.415 -0.232 20 0 CBADRP CNS(=O)(=O)CCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443079633 354260039 /nfs/dbraw/zinc/26/00/39/354260039.db2.gz ZUTZCJJTJJECAK-LLVKDONJSA-N 2 0 263.407 -0.014 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444164746 354261938 /nfs/dbraw/zinc/26/19/38/354261938.db2.gz GGPZGKFCJBARBF-NWDGAFQWSA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@H]1C[NH+](CCCNC(=O)[C@H]2CC[NH2+]2)C[C@H](C)O1 ZINC000444169593 354262465 /nfs/dbraw/zinc/26/24/65/354262465.db2.gz QDYKRBULHSMKIY-SDDRHHMPSA-N 2 0 255.362 -0.036 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000424214427 354219544 /nfs/dbraw/zinc/21/95/44/354219544.db2.gz CKAAMJZKXQQXNK-IJLUTSLNSA-N 2 0 282.388 -0.369 20 0 CBADRP CC(C)[C@@H](C[NH3+])C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424223609 354220079 /nfs/dbraw/zinc/22/00/79/354220079.db2.gz IERPUZINKGHASN-FRRDWIJNSA-N 2 0 279.388 -0.096 20 0 CBADRP C[C@@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[NH+](C)C ZINC000424476881 354225701 /nfs/dbraw/zinc/22/57/01/354225701.db2.gz KPBAQIOGAYUGCS-WCFLWFBJSA-N 2 0 294.403 -0.194 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000446292435 354286684 /nfs/dbraw/zinc/28/66/84/354286684.db2.gz RHECTFAFURNVAH-CMPLNLGQSA-N 2 0 273.352 -0.087 20 0 CBADRP CCCN(C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CC[NH2+]C1 ZINC000333888956 283010009 /nfs/dbraw/zinc/01/00/09/283010009.db2.gz XTTKIWODTQCRMX-WYUUTHIRSA-N 2 0 252.362 -0.012 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000447438390 354298485 /nfs/dbraw/zinc/29/84/85/354298485.db2.gz FGPOFJMRZONWAG-ZYHUDNBSSA-N 2 0 275.418 -0.096 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000447438388 354298719 /nfs/dbraw/zinc/29/87/19/354298719.db2.gz FGPOFJMRZONWAG-JQWIXIFHSA-N 2 0 275.418 -0.096 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444272120 354267332 /nfs/dbraw/zinc/26/73/32/354267332.db2.gz VYHLJDZJBXMVGC-VNHYZAJKSA-N 2 0 280.416 -0.262 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444272118 354267787 /nfs/dbraw/zinc/26/77/87/354267787.db2.gz VYHLJDZJBXMVGC-UMVBOHGHSA-N 2 0 280.416 -0.262 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449091381 354317338 /nfs/dbraw/zinc/31/73/38/354317338.db2.gz QEIRCKPOYAAGON-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000449601670 354320785 /nfs/dbraw/zinc/32/07/85/354320785.db2.gz NNSPVJQFDGZYIK-GARJFASQSA-N 2 0 270.377 -0.752 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449697481 354321879 /nfs/dbraw/zinc/32/18/79/354321879.db2.gz MGCBCLBOEFDHOC-JHJVBQTASA-N 2 0 268.405 -0.086 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000331453221 295881565 /nfs/dbraw/zinc/88/15/65/295881565.db2.gz XWWXHDJAVFSHME-LBPRGKRZSA-N 2 0 294.399 -0.449 20 0 CBADRP C[NH+](C)CCOCCNC(=O)NCC[NH+]1CCC1 ZINC000471646133 354401786 /nfs/dbraw/zinc/40/17/86/354401786.db2.gz TZUTTYGTABDBKD-UHFFFAOYSA-N 2 0 258.366 -0.431 20 0 CBADRP C[NH+](C)C/C=C\C(=O)NCCCN1CC[NH+](C)CC1 ZINC000491896259 354461955 /nfs/dbraw/zinc/46/19/55/354461955.db2.gz ZANBUAXOYZBJTG-XQRVVYSFSA-N 2 0 268.405 -0.142 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)/C=C/C[NH+](C)C ZINC000491909161 354462350 /nfs/dbraw/zinc/46/23/50/354462350.db2.gz WNPHCLYUJRHCTH-GFUIURDCSA-N 2 0 268.405 -0.144 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000492875259 354483722 /nfs/dbraw/zinc/48/37/22/354483722.db2.gz RUJFAUOTBFOMNB-AWEZNQCLSA-N 2 0 280.416 -0.023 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000494891896 354496161 /nfs/dbraw/zinc/49/61/61/354496161.db2.gz RDEOAOKZUYTGMJ-KBPBESRZSA-N 2 0 280.416 -0.166 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000515520880 354556123 /nfs/dbraw/zinc/55/61/23/354556123.db2.gz BEUBQULZEVTXJI-RYUDHWBXSA-N 2 0 271.409 -0.389 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000518530722 354558751 /nfs/dbraw/zinc/55/87/51/354558751.db2.gz AJQCELXKZZIGCP-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000518768579 354559385 /nfs/dbraw/zinc/55/93/85/354559385.db2.gz RGGDGPGOMZIUJS-WOPDTQHZSA-N 2 0 282.388 -0.499 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000519403082 354561062 /nfs/dbraw/zinc/56/10/62/354561062.db2.gz PXIAKVYYYBICNC-RYUDHWBXSA-N 2 0 253.346 -0.282 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CNC(=O)C[NH3+])C1 ZINC000519540887 354562292 /nfs/dbraw/zinc/56/22/92/354562292.db2.gz MJUWUEPMNWZNAY-QWRGUYRKSA-N 2 0 268.361 -0.996 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CNC(=O)C[NH3+])C1 ZINC000519540882 354562561 /nfs/dbraw/zinc/56/25/61/354562561.db2.gz MJUWUEPMNWZNAY-GHMZBOCLSA-N 2 0 268.361 -0.996 20 0 CBADRP C[NH+](C)C[C@@H]1CCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000519546229 354562788 /nfs/dbraw/zinc/56/27/88/354562788.db2.gz UFANQHZNHRGOOE-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CNC(=O)C[NH3+])C1 ZINC000519540891 354562853 /nfs/dbraw/zinc/56/28/53/354562853.db2.gz MJUWUEPMNWZNAY-WDEREUQCSA-N 2 0 268.361 -0.996 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)C1 ZINC000519551405 354563521 /nfs/dbraw/zinc/56/35/21/354563521.db2.gz LXXBASAIAWJQDD-SWLSCSKDSA-N 2 0 281.400 -0.099 20 0 CBADRP COC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000520408517 354566504 /nfs/dbraw/zinc/56/65/04/354566504.db2.gz YLFOYGHVLPOFJT-RWMBFGLXSA-N 2 0 263.341 -0.168 20 0 CBADRP C[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000525437680 354571567 /nfs/dbraw/zinc/57/15/67/354571567.db2.gz WPTXTXZSABCSDT-GFCCVEGCSA-N 2 0 296.415 -0.021 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000526127154 354575382 /nfs/dbraw/zinc/57/53/82/354575382.db2.gz FTEZEOAMSQCXMC-AWEZNQCLSA-N 2 0 299.415 -0.207 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529320579 354584742 /nfs/dbraw/zinc/58/47/42/354584742.db2.gz YNEUFSYVELSWBW-NTZNESFSSA-N 2 0 282.388 -0.243 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)[C@@H](C)C[NH2+]1 ZINC000529390507 354585531 /nfs/dbraw/zinc/58/55/31/354585531.db2.gz VGEKUOLBEOWXNJ-OUAUKWLOSA-N 2 0 256.350 -0.633 20 0 CBADRP C[NH2+]C[C@@H](O)C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000496843211 354550813 /nfs/dbraw/zinc/55/08/13/354550813.db2.gz AFSUUMCUCRGPCN-MFKMUULPSA-N 2 0 291.392 -0.568 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N1CCOCC1 ZINC000543718943 354637001 /nfs/dbraw/zinc/63/70/01/354637001.db2.gz LNHVVKHPQOMOEM-UHFFFAOYSA-N 2 0 272.393 -0.136 20 0 CBADRP C[N@H+](CCNC(=O)NC[C@@]1(O)CC[NH+](C)C1)C1CC1 ZINC000545176371 354643892 /nfs/dbraw/zinc/64/38/92/354643892.db2.gz CYOJVKDUFSQFJO-ZDUSSCGKSA-N 2 0 270.377 -0.554 20 0 CBADRP CN1CCOC[C@H]1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000545910867 354649901 /nfs/dbraw/zinc/64/99/01/354649901.db2.gz FNVAGVCLJYKDLY-ZDUSSCGKSA-N 2 0 286.420 -0.731 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000557205863 354685091 /nfs/dbraw/zinc/68/50/91/354685091.db2.gz HOCYDXCJDXNOBS-NSHDSACASA-N 2 0 285.392 -0.765 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000557242093 354686022 /nfs/dbraw/zinc/68/60/22/354686022.db2.gz ZWVRGSMTOWWWKY-KGLIPLIRSA-N 2 0 297.447 -0.127 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000562825476 354688982 /nfs/dbraw/zinc/68/89/82/354688982.db2.gz OCDLWQTXBPNPKR-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP COC[C@]1(CNC(=O)[C@@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000562979436 354690582 /nfs/dbraw/zinc/69/05/82/354690582.db2.gz VYSRRRYJSDWSFC-DGCLKSJQSA-N 2 0 255.362 -0.129 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1 ZINC000562976825 354690621 /nfs/dbraw/zinc/69/06/21/354690621.db2.gz SKQMXKUYNQGKDH-KZZRWZIVSA-N 2 0 253.346 -0.441 20 0 CBADRP C[NH+]1CCC(CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000562987399 354691001 /nfs/dbraw/zinc/69/10/01/354691001.db2.gz NZWJPHHCAGGULU-MRXNPFEDSA-N 3 0 298.475 -0.084 20 0 CBADRP CO[C@@H](C)[C@@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000563012326 354691899 /nfs/dbraw/zinc/69/18/99/354691899.db2.gz SOPHPKJIKNFPSP-AGIUHOORSA-N 2 0 259.394 -0.392 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]([NH3+])C1CCC1 ZINC000563074829 354694428 /nfs/dbraw/zinc/69/44/28/354694428.db2.gz QTCLVGBUGZAEIA-DGCLKSJQSA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000563077519 354694689 /nfs/dbraw/zinc/69/46/89/354694689.db2.gz IFCOPMKZNINIDW-MCIONIFRSA-N 2 0 282.432 -0.016 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3COCC[NH2+]3)[C@H]2C1 ZINC000563085680 354695310 /nfs/dbraw/zinc/69/53/10/354695310.db2.gz WQEKWNCQMATYOS-AGIUHOORSA-N 2 0 267.373 -0.083 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000563083539 354695353 /nfs/dbraw/zinc/69/53/53/354695353.db2.gz PLAVVPMVWJCHCD-LBPRGKRZSA-N 2 0 256.394 -0.323 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000563102291 354696527 /nfs/dbraw/zinc/69/65/27/354696527.db2.gz RKADLFPUODJNHP-MRVPVSSYSA-N 2 0 267.337 -0.992 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CCC[NH2+]C1 ZINC000563106768 354696741 /nfs/dbraw/zinc/69/67/41/354696741.db2.gz APTHCVZUENNOBG-VXGBXAGGSA-N 2 0 282.388 -0.640 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000563109387 354697354 /nfs/dbraw/zinc/69/73/54/354697354.db2.gz ASOJLIRLTVWBPT-DGCLKSJQSA-N 2 0 296.415 -0.027 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000563117004 354697722 /nfs/dbraw/zinc/69/77/22/354697722.db2.gz RGVNITXEABCISX-KBPBESRZSA-N 2 0 297.399 -0.266 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)c1cnn(C)c1 ZINC000563111094 354697737 /nfs/dbraw/zinc/69/77/37/354697737.db2.gz QBIZOUXWFHJFJD-FOGDFJRCSA-N 2 0 265.361 -0.124 20 0 CBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000563153679 354699489 /nfs/dbraw/zinc/69/94/89/354699489.db2.gz DMONATIIWCUNGD-VWYCJHECSA-N 2 0 268.361 -0.109 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000563160527 354700956 /nfs/dbraw/zinc/70/09/56/354700956.db2.gz VKJGXWBXADEVLF-BZPMIXESSA-N 2 0 298.431 -0.116 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000563160104 354700990 /nfs/dbraw/zinc/70/09/90/354700990.db2.gz WSKDEOCRYMKBDA-JSGCOSHPSA-N 2 0 282.388 -0.702 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000563160530 354701029 /nfs/dbraw/zinc/70/10/29/354701029.db2.gz VKJGXWBXADEVLF-OBJOEFQTSA-N 2 0 298.431 -0.116 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)nn1 ZINC000563804943 354705420 /nfs/dbraw/zinc/70/54/20/354705420.db2.gz COMCOTNCYAUMBQ-QWRGUYRKSA-N 2 0 280.376 -0.126 20 0 CBADRP C[C@@H](CNC(=O)C1([NH3+])CCC1)N1CC[NH+](C)CC1 ZINC000564208288 354710759 /nfs/dbraw/zinc/71/07/59/354710759.db2.gz BDQSUCKSKGNRPK-NSHDSACASA-N 2 0 254.378 -0.380 20 0 CBADRP C[C@@]1(F)C[NH2+]CCN(C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000564453417 354712987 /nfs/dbraw/zinc/71/29/87/354712987.db2.gz NFOTXZIWXKNCOP-TZMCWYRMSA-N 2 0 286.395 -0.183 20 0 CBADRP CN(C(=O)C1(n2cccn2)CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000564570518 354713902 /nfs/dbraw/zinc/71/39/02/354713902.db2.gz HLAVJXDVTBTVHV-LBPRGKRZSA-N 2 0 277.372 -0.218 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1CCC(=O)N1CC[NH2+]CC1 ZINC000564799326 354717564 /nfs/dbraw/zinc/71/75/64/354717564.db2.gz UOQCJHXCUHUJRC-CYBMUJFWSA-N 2 0 268.405 -0.118 20 0 CBADRP CC[NH+](CC)CCCN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565237012 354733644 /nfs/dbraw/zinc/73/36/44/354733644.db2.gz ASVZBBFHLWWZCQ-OLZOCXBDSA-N 2 0 268.405 -0.038 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000564932846 354721442 /nfs/dbraw/zinc/72/14/42/354721442.db2.gz JRWASVHVKJXRAG-ZIAGYGMSSA-N 2 0 296.415 -0.739 20 0 CBADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000564951029 354722322 /nfs/dbraw/zinc/72/23/22/354722322.db2.gz HQFFKQBCZHGDMU-ZDUSSCGKSA-N 2 0 282.388 -0.702 20 0 CBADRP CCC[C@H](CCO)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000564976573 354723874 /nfs/dbraw/zinc/72/38/74/354723874.db2.gz VGRLCSBVOMYAAU-HUUCEWRRSA-N 2 0 287.448 -0.017 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[N@H+](CC3CCOCC3)CCN2C1=O ZINC000565233709 354733927 /nfs/dbraw/zinc/73/39/27/354733927.db2.gz OXGCEKOEVFXQSS-NWDGAFQWSA-N 2 0 253.346 -0.343 20 0 CBADRP COC[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000564988640 354724493 /nfs/dbraw/zinc/72/44/93/354724493.db2.gz KQDYJCKYGLVODN-QWHCGFSZSA-N 2 0 285.388 -0.456 20 0 CBADRP CN(C)C(=O)CC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000564988142 354725028 /nfs/dbraw/zinc/72/50/28/354725028.db2.gz PNSDKNGWDIMTAR-CYBMUJFWSA-N 2 0 296.415 -0.392 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000565950924 354749597 /nfs/dbraw/zinc/74/95/97/354749597.db2.gz ANOQWJRBBGVDGA-YPMHNXCESA-N 2 0 267.373 -0.035 20 0 CBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C3(C)C[NH2+]C3)C2)CC1 ZINC000566066214 354752140 /nfs/dbraw/zinc/75/21/40/354752140.db2.gz HADADROVCDUWNH-ZDUSSCGKSA-N 2 0 280.416 -0.166 20 0 CBADRP COCC[C@@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000566109971 354752876 /nfs/dbraw/zinc/75/28/76/354752876.db2.gz VNVYPFGBXKUXMZ-CHWSQXEVSA-N 2 0 259.394 -0.391 20 0 CBADRP CC1CC[NH+](C[C@H](O)CNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000566179469 354755066 /nfs/dbraw/zinc/75/50/66/354755066.db2.gz OWOYOLLCXUGRHV-QWHCGFSZSA-N 2 0 269.389 -0.195 20 0 CBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000566179470 354755236 /nfs/dbraw/zinc/75/52/36/354755236.db2.gz OWOYOLLCXUGRHV-STQMWFEESA-N 2 0 269.389 -0.195 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000566171323 354755338 /nfs/dbraw/zinc/75/53/38/354755338.db2.gz LKVVEXWEGANGKQ-NWDGAFQWSA-N 2 0 292.387 -0.288 20 0 CBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C[NH2+]CCOC)C2)CC1 ZINC000566179550 354755407 /nfs/dbraw/zinc/75/54/07/354755407.db2.gz ZNYQNDHFKWYJRG-AWEZNQCLSA-N 2 0 298.431 -0.539 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000566189642 354755828 /nfs/dbraw/zinc/75/58/28/354755828.db2.gz RVKIKOBZVMJKQT-SDDRHHMPSA-N 2 0 253.346 -0.567 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000566212309 354757700 /nfs/dbraw/zinc/75/77/00/354757700.db2.gz RDHYUKSNHXDVRW-JGVFFNPUSA-N 2 0 296.293 -0.750 20 0 CBADRP O=C1CC[C@@H](N[C@@H]2CCC[NH2+]C2)[C@H](C2CC[NH2+]CC2)N1 ZINC000566229712 354758551 /nfs/dbraw/zinc/75/85/51/354758551.db2.gz MANRIYAVPPGLQU-NFAWXSAZSA-N 2 0 280.416 -0.025 20 0 CBADRP C[NH2+]C[C@H]1CCCN1CCC(=O)N1CC[NH2+]CC1 ZINC000566246195 354760123 /nfs/dbraw/zinc/76/01/23/354760123.db2.gz LVJBBCBEKSQWAB-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP C[C@@]1(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000566317412 354762258 /nfs/dbraw/zinc/76/22/58/354762258.db2.gz NUVCFCBATAHTJW-GHMZBOCLSA-N 2 0 261.391 -0.391 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000567613899 354791555 /nfs/dbraw/zinc/79/15/55/354791555.db2.gz SSUNPSPVUAQLHY-RVMXOQNASA-N 2 0 296.415 -0.077 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000566511839 354770546 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CBADRP C[C@@H](CNC(=O)CCOC1C[NH2+]C1)[NH+]1CCCC1 ZINC000566854240 354776343 /nfs/dbraw/zinc/77/63/43/354776343.db2.gz ZIOUWBIQFOTHGK-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000567063212 354780514 /nfs/dbraw/zinc/78/05/14/354780514.db2.gz RQHHZIJOGVTGGE-RYUDHWBXSA-N 2 0 297.403 -0.672 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000567109053 354781279 /nfs/dbraw/zinc/78/12/79/354781279.db2.gz PXGQJLGUTLKAFG-MRVPVSSYSA-N 2 0 267.337 -0.720 20 0 CBADRP C[NH2+][C@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)c1cnn(C)c1 ZINC000567232978 354783253 /nfs/dbraw/zinc/78/32/53/354783253.db2.gz SHNXOKSPWJDRLE-UMNHJUIQSA-N 2 0 265.361 -0.111 20 0 CBADRP C[NH2+][C@H](C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)c1cnn(C)c1 ZINC000567232977 354783263 /nfs/dbraw/zinc/78/32/63/354783263.db2.gz SHNXOKSPWJDRLE-NHCYSSNCSA-N 2 0 265.361 -0.111 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CC[NH2+]C1CC1 ZINC000567248508 354784218 /nfs/dbraw/zinc/78/42/18/354784218.db2.gz FMCHGSKSWFKALC-LBPRGKRZSA-N 2 0 282.388 -0.416 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000567267595 354785060 /nfs/dbraw/zinc/78/50/60/354785060.db2.gz FPZFXWUQAHHBHM-VXGBXAGGSA-N 2 0 282.388 -0.573 20 0 CBADRP C[C@@H](CC(=O)NCC(=O)N1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000567267543 354785091 /nfs/dbraw/zinc/78/50/91/354785091.db2.gz AZVTXINIGIHLSN-QWHCGFSZSA-N 2 0 296.415 -0.440 20 0 CBADRP CC(C)([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000567351125 354785840 /nfs/dbraw/zinc/78/58/40/354785840.db2.gz XPBPOFCFCMGMFQ-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000567383682 354786659 /nfs/dbraw/zinc/78/66/59/354786659.db2.gz UBVHACBHHOYACN-NWDGAFQWSA-N 2 0 292.387 -0.241 20 0 CBADRP CC(C)([NH3+])C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000565656366 354742818 /nfs/dbraw/zinc/74/28/18/354742818.db2.gz NBLWPKJBRIXBLR-SECBINFHSA-N 2 0 256.350 -0.963 20 0 CBADRP C[NH+](C)CCOc1cc(C[NH2+]CCC(N)=O)ccn1 ZINC000565712045 354743830 /nfs/dbraw/zinc/74/38/30/354743830.db2.gz KLONMCVULKFUBL-UHFFFAOYSA-N 2 0 266.345 -0.013 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COC1C[NH2+]C1 ZINC000567811715 354798242 /nfs/dbraw/zinc/79/82/42/354798242.db2.gz BFJNDFKLWXMOJZ-JQWIXIFHSA-N 2 0 255.362 -0.227 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000567812330 354798284 /nfs/dbraw/zinc/79/82/84/354798284.db2.gz RUHNCKCMYUELOQ-CQSZACIVSA-N 2 0 298.431 -0.539 20 0 CBADRP CN1CCN(C(=O)NCc2ccc(C[NH3+])cc2)[C@@H](C[NH3+])C1 ZINC000567819849 354799163 /nfs/dbraw/zinc/79/91/63/354799163.db2.gz ALLJGSINVJMABF-AWEZNQCLSA-N 2 0 291.399 -0.070 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000567835490 354799961 /nfs/dbraw/zinc/79/99/61/354799961.db2.gz SFIFMERWESXEJL-DGCLKSJQSA-N 2 0 252.362 -0.993 20 0 CBADRP CC[NH2+]CCNC(=O)CN(C)CC(=O)NC(C)C ZINC000567834868 354800157 /nfs/dbraw/zinc/80/01/57/354800157.db2.gz MOVAAGDEMBTTTJ-UHFFFAOYSA-N 2 0 258.366 -0.832 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000567839823 354800868 /nfs/dbraw/zinc/80/08/68/354800868.db2.gz PZPBNSSDVLNQLE-GHMZBOCLSA-N 2 0 280.376 -0.255 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000567838149 354801004 /nfs/dbraw/zinc/80/10/04/354801004.db2.gz PQHVKYPBVXEGRK-VHSXEESVSA-N 2 0 256.350 -0.902 20 0 CBADRP COCCn1cc(CN2CCN(C)C[C@H]2C[NH3+])cn1 ZINC000567871988 354801756 /nfs/dbraw/zinc/80/17/56/354801756.db2.gz OCWINZPYRILRAK-CYBMUJFWSA-N 2 0 267.377 -0.396 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000567880065 354802725 /nfs/dbraw/zinc/80/27/25/354802725.db2.gz AYQXOECRBOQTDD-NNYUYHANSA-N 2 0 284.404 -0.173 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000567900024 354804530 /nfs/dbraw/zinc/80/45/30/354804530.db2.gz HRXVSHVKDYVLNP-GVXVVHGQSA-N 2 0 284.404 -0.280 20 0 CBADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)[C@H]2C1 ZINC000567909848 354804878 /nfs/dbraw/zinc/80/48/78/354804878.db2.gz WUEUIRNSNHQPCT-USZNOCQGSA-N 2 0 271.336 -0.382 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000568087104 354810220 /nfs/dbraw/zinc/81/02/20/354810220.db2.gz NXNSEYHLYXRZMN-XQQFMLRXSA-N 2 0 267.373 -0.177 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1C[C@H](C)[NH+](CCO)C[C@@H]1C ZINC000568181145 354814429 /nfs/dbraw/zinc/81/44/29/354814429.db2.gz LXBCISCMXYWZGI-IHRRRGAJSA-N 2 0 273.421 -0.314 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)C1 ZINC000568211612 354815354 /nfs/dbraw/zinc/81/53/54/354815354.db2.gz CXDSVAHDNKYVDP-FZMZJTMJSA-N 2 0 267.373 -0.489 20 0 CBADRP C[C@@]1(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CCC[NH2+]C1 ZINC000568265726 354819139 /nfs/dbraw/zinc/81/91/39/354819139.db2.gz LMYHAVZODZBDOC-NTZNESFSSA-N 2 0 255.362 -0.001 20 0 CBADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000568267883 354819211 /nfs/dbraw/zinc/81/92/11/354819211.db2.gz NWACLHHXCOHABE-XQHKEYJVSA-N 2 0 294.399 -0.609 20 0 CBADRP CC(C)[C@@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@H](C)[NH3+] ZINC000568264721 354819591 /nfs/dbraw/zinc/81/95/91/354819591.db2.gz UEXDGHNPSKGZOF-VHSXEESVSA-N 2 0 295.391 -0.228 20 0 CBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000568294475 354821173 /nfs/dbraw/zinc/82/11/73/354821173.db2.gz SUBMGMAXRFXPMC-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000568382214 354822075 /nfs/dbraw/zinc/82/20/75/354822075.db2.gz SNDXELWQXBKFIE-IEECTRCBSA-N 2 0 267.373 -0.051 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000568383898 354822087 /nfs/dbraw/zinc/82/20/87/354822087.db2.gz NYIFYQYYCIKLDP-WHOHXGKFSA-N 2 0 253.346 -0.569 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000568383899 354822614 /nfs/dbraw/zinc/82/26/14/354822614.db2.gz NYIFYQYYCIKLDP-WISYIIOYSA-N 2 0 253.346 -0.569 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000568391230 354823438 /nfs/dbraw/zinc/82/34/38/354823438.db2.gz KJYHFCIPEBTABN-NEPJUHHUSA-N 2 0 254.378 -0.604 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000568507845 354825629 /nfs/dbraw/zinc/82/56/29/354825629.db2.gz MEPHCZGCPWVPGT-GRYCIOLGSA-N 2 0 280.372 -0.793 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000568609806 354827336 /nfs/dbraw/zinc/82/73/36/354827336.db2.gz QKRBVQKKOMXKOQ-HIFRSBDPSA-N 2 0 288.395 -0.107 20 0 CBADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000568609408 354827646 /nfs/dbraw/zinc/82/76/46/354827646.db2.gz YPIAKEBOFPRJPJ-QWHCGFSZSA-N 2 0 283.420 -0.374 20 0 CBADRP COC[C@@H](O)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000568619427 354827844 /nfs/dbraw/zinc/82/78/44/354827844.db2.gz BWXZTYXXRJJXRS-MELADBBJSA-N 2 0 272.389 -0.039 20 0 CBADRP O=C(COC1CC[NH2+]CC1)NCC[N@@H+]1CCCOCC1 ZINC000568628349 354828730 /nfs/dbraw/zinc/82/87/30/354828730.db2.gz SROGHIUIDXHUAP-UHFFFAOYSA-N 2 0 285.388 -0.407 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000568738321 354830499 /nfs/dbraw/zinc/83/04/99/354830499.db2.gz ZHZBRFPGUSMPNK-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP CO[C@@H]([C@@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C1CC1 ZINC000567695991 354794424 /nfs/dbraw/zinc/79/44/24/354794424.db2.gz LZZVQIMRBJRRPI-SNPRPXQTSA-N 2 0 285.432 -0.002 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)nn1 ZINC000567772288 354796118 /nfs/dbraw/zinc/79/61/18/354796118.db2.gz QOKNBXWPLRXFFB-SNVBAGLBSA-N 2 0 278.360 -0.407 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000570698887 354867964 /nfs/dbraw/zinc/86/79/64/354867964.db2.gz JZTFHNWABFHMIE-GRYCIOLGSA-N 2 0 297.403 -0.687 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000570800286 354869492 /nfs/dbraw/zinc/86/94/92/354869492.db2.gz IEDNQHOKTOANDF-TUAOUCFPSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)[NH+]1CCCC1 ZINC000570926308 354873025 /nfs/dbraw/zinc/87/30/25/354873025.db2.gz UMBGBGSFIDIWCL-NSHDSACASA-N 2 0 280.376 -0.159 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)C[N@H+](C)[C@H]2CCSC2)C[C@@H]1O ZINC000570939002 354874216 /nfs/dbraw/zinc/87/42/16/354874216.db2.gz BLCINAPBANFKCB-SRVKXCTJSA-N 2 0 287.429 -0.443 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000570943066 354874228 /nfs/dbraw/zinc/87/42/28/354874228.db2.gz PMUXSSOPJIEQPG-NEPJUHHUSA-N 3 0 273.425 -0.143 20 0 CBADRP COCC[NH2+]CCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000570967450 354875063 /nfs/dbraw/zinc/87/50/63/354875063.db2.gz GZXWHPRPDPYMDD-UHFFFAOYSA-N 2 0 295.387 -0.686 20 0 CBADRP C[C@H]1C[N@H+](CCC(=O)N2CCN(C)CC2)CC[C@@H]1[NH3+] ZINC000571047367 354875959 /nfs/dbraw/zinc/87/59/59/354875959.db2.gz VAFLOCMOXHSTNJ-STQMWFEESA-N 3 0 268.405 -0.180 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000571675993 354877544 /nfs/dbraw/zinc/87/75/44/354877544.db2.gz DXTWHYJMWCFGCP-SDDRHHMPSA-N 2 0 254.378 -0.524 20 0 CBADRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000569327504 354843142 /nfs/dbraw/zinc/84/31/42/354843142.db2.gz RRLAMFFDTRSJDC-KGLIPLIRSA-N 2 0 280.416 -0.071 20 0 CBADRP CN1CC[C@@H]([N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000570280667 354858417 /nfs/dbraw/zinc/85/84/17/354858417.db2.gz FAMZJYDIUUPXBU-CHWSQXEVSA-N 2 0 294.399 -0.639 20 0 CBADRP CC(C)[NH2+]CCC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000570329450 354859758 /nfs/dbraw/zinc/85/97/58/354859758.db2.gz JZUWNQOZYCYVCA-ZDUSSCGKSA-N 2 0 268.405 -0.119 20 0 CBADRP C[C@@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000570395192 354860519 /nfs/dbraw/zinc/86/05/19/354860519.db2.gz GERVOUWUHRELTF-UTUOFQBUSA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)CCOC2C[NH2+]C2)C1 ZINC000570520429 354863885 /nfs/dbraw/zinc/86/38/85/354863885.db2.gz XNCVFPKRSGOOEQ-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000572039542 354886120 /nfs/dbraw/zinc/88/61/20/354886120.db2.gz PTOXORSVWWJSLJ-TUAOUCFPSA-N 2 0 284.404 -0.219 20 0 CBADRP CN(C)C(=O)CC[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000572159564 354888167 /nfs/dbraw/zinc/88/81/67/354888167.db2.gz RUSSKJHQTYCZLC-LBPRGKRZSA-N 2 0 282.388 -0.639 20 0 CBADRP CN1CCN(C(=O)NCC2(C)CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000572347738 354891208 /nfs/dbraw/zinc/89/12/08/354891208.db2.gz MQWVXGDKRLBBJT-LBPRGKRZSA-N 2 0 283.420 -0.340 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]([NH3+])C1CCC1 ZINC000572515151 354893336 /nfs/dbraw/zinc/89/33/36/354893336.db2.gz ODNYMBRDNHNKDD-LBPRGKRZSA-N 2 0 268.361 -0.996 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000572501808 354893486 /nfs/dbraw/zinc/89/34/86/354893486.db2.gz VCRULVLIINLLKD-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000572638836 354893837 /nfs/dbraw/zinc/89/38/37/354893837.db2.gz DARZVVYLRXRTKE-XQQFMLRXSA-N 2 0 266.389 -0.510 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000572734159 354896180 /nfs/dbraw/zinc/89/61/80/354896180.db2.gz XKFATFOLOLVPFR-AVGNSLFASA-N 2 0 269.389 -0.006 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000572750282 354897107 /nfs/dbraw/zinc/89/71/07/354897107.db2.gz AVHWIOXSMDPTMF-DTWKUNHWSA-N 2 0 282.310 -0.467 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000572977059 354902271 /nfs/dbraw/zinc/90/22/71/354902271.db2.gz AOXKWYIZQWVUAM-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000573075194 354903989 /nfs/dbraw/zinc/90/39/89/354903989.db2.gz NDOFPTVPUAOSIZ-QWHCGFSZSA-N 2 0 294.399 -0.449 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000573117162 354905661 /nfs/dbraw/zinc/90/56/61/354905661.db2.gz FSVOXHPQHOZYBB-IJLUTSLNSA-N 2 0 253.346 -0.425 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000573204212 354907241 /nfs/dbraw/zinc/90/72/41/354907241.db2.gz OINHDHZGMSOPBW-ZYHUDNBSSA-N 2 0 253.346 -0.425 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000573218821 354907564 /nfs/dbraw/zinc/90/75/64/354907564.db2.gz PWLKDMBPSHFVBC-WOPDTQHZSA-N 2 0 255.362 -0.539 20 0 CBADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000573248729 354909406 /nfs/dbraw/zinc/90/94/06/354909406.db2.gz GLHNWZBGPQKABF-KGLIPLIRSA-N 2 0 252.406 -0.035 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000573322512 354910222 /nfs/dbraw/zinc/91/02/22/354910222.db2.gz HLTRVWDHKPIDSO-VHSXEESVSA-N 2 0 256.350 -0.963 20 0 CBADRP C[NH2+]CCCN1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000573564216 354915050 /nfs/dbraw/zinc/91/50/50/354915050.db2.gz ADHQPWWWCMLLQM-GFCCVEGCSA-N 3 0 252.366 -0.017 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(CC[NH3+])nn2)C1 ZINC000571778484 354880059 /nfs/dbraw/zinc/88/00/59/354880059.db2.gz LBJSBZXKNYVRHB-WCQYABFASA-N 2 0 292.387 -0.207 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@H]([NH2+]CC2(O)CCCCC2)C1=O ZINC000573978475 354926512 /nfs/dbraw/zinc/92/65/12/354926512.db2.gz AOBGMWSFZFQZJQ-LBPRGKRZSA-N 2 0 297.399 -0.040 20 0 CBADRP CO[C@@H]1CC[C@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000574023979 354926581 /nfs/dbraw/zinc/92/65/81/354926581.db2.gz GYMMKMCEOMKMIW-QJPTWQEYSA-N 2 0 270.377 -0.162 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000578130614 354938867 /nfs/dbraw/zinc/93/88/67/354938867.db2.gz SUQYPMVKEHGUBF-NWDGAFQWSA-N 2 0 254.378 -0.380 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C[C@@H]1CCC[NH2+]C1 ZINC000578237055 354941735 /nfs/dbraw/zinc/94/17/35/354941735.db2.gz XYMWCRWLFXXVGI-GFCCVEGCSA-N 2 0 254.378 -0.650 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000578226626 354942091 /nfs/dbraw/zinc/94/20/91/354942091.db2.gz LTIHOLAPBNNEBO-QWRGUYRKSA-N 2 0 257.382 -0.779 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000578354882 354943812 /nfs/dbraw/zinc/94/38/12/354943812.db2.gz KSLHXMIFCJJYSG-UHFFFAOYSA-N 2 0 254.378 -0.650 20 0 CBADRP CS(=O)(=O)N1CC[C@H](C[NH2+]CC2CC[NH2+]CC2)C1 ZINC000578358840 354944776 /nfs/dbraw/zinc/94/47/76/354944776.db2.gz LFZWQCGQRWRXMD-GFCCVEGCSA-N 2 0 275.418 -0.143 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)COC2C[NH2+]C2)C1 ZINC000578627950 354950556 /nfs/dbraw/zinc/95/05/56/354950556.db2.gz SRYNVPNWEBBSND-DGCLKSJQSA-N 2 0 267.373 -0.083 20 0 CBADRP COC[C@]1(CNC(=O)C[NH2+]CC2CC2)CCC[NH2+]1 ZINC000578866242 354956187 /nfs/dbraw/zinc/95/61/87/354956187.db2.gz LKQQQBKVSZUGFK-CYBMUJFWSA-N 2 0 255.362 -0.129 20 0 CBADRP Cc1cc(=O)[nH]cc1C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000578892949 354957562 /nfs/dbraw/zinc/95/75/62/354957562.db2.gz GLQOETWLQVNADC-JTQLQIEISA-N 2 0 264.329 -0.189 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)C1 ZINC000579371767 354969107 /nfs/dbraw/zinc/96/91/07/354969107.db2.gz XFDWSFJIRJTYGJ-CYBMUJFWSA-N 2 0 296.415 -0.439 20 0 CBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)n1 ZINC000579373085 354969483 /nfs/dbraw/zinc/96/94/83/354969483.db2.gz WNESKQWNPFEANQ-CQSZACIVSA-N 2 0 295.387 -0.759 20 0 CBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000579492985 354972166 /nfs/dbraw/zinc/97/21/66/354972166.db2.gz WPCHVFXZNFYNBL-CYDGBPFRSA-N 2 0 269.389 -0.008 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000579708816 354976870 /nfs/dbraw/zinc/97/68/70/354976870.db2.gz SJUYGRXORKOCKX-NSHDSACASA-N 2 0 280.376 -0.207 20 0 CBADRP C[C@@H](CCNC(=O)C(=O)NC1C[NH2+]C1)[NH+]1CCCCC1 ZINC000579692192 354977029 /nfs/dbraw/zinc/97/70/29/354977029.db2.gz MHZREDRIFSEKNP-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C[C@@H]1[NH3+] ZINC000579816284 354980058 /nfs/dbraw/zinc/98/00/58/354980058.db2.gz MZKDOZOUTTZUQW-RSLMWUCJSA-N 2 0 294.399 -0.609 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C[C@H]1[NH3+] ZINC000579816283 354980413 /nfs/dbraw/zinc/98/04/13/354980413.db2.gz MZKDOZOUTTZUQW-LYIQGSDWSA-N 2 0 294.399 -0.609 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000579837771 354980777 /nfs/dbraw/zinc/98/07/77/354980777.db2.gz QAAVIQPWEPUQCG-JSGCOSHPSA-N 2 0 292.383 -0.098 20 0 CBADRP CC[NH2+]CCCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000579834269 354981089 /nfs/dbraw/zinc/98/10/89/354981089.db2.gz QPEZOLUXGKUTQE-NSHDSACASA-N 2 0 258.366 -0.798 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@H](C)[NH+](C)C[C@H]1C ZINC000579968468 354985347 /nfs/dbraw/zinc/98/53/47/354985347.db2.gz AJUCQXHJSJNKRL-MJBXVCDLSA-N 2 0 273.421 -0.050 20 0 CBADRP [NH3+]CCC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000580192884 354989812 /nfs/dbraw/zinc/98/98/12/354989812.db2.gz OPOMSJGYTVOFRN-NSHDSACASA-N 2 0 268.361 -0.994 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@@H](C[NH3+])C1 ZINC000580299705 354991772 /nfs/dbraw/zinc/99/17/72/354991772.db2.gz DHRGMMDAFRKWAC-MJBXVCDLSA-N 2 0 295.431 -0.103 20 0 CBADRP C[NH+](C)CCCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000580323997 354993437 /nfs/dbraw/zinc/99/34/37/354993437.db2.gz SQRSPXCSJBYZEP-NSHDSACASA-N 2 0 280.376 -0.288 20 0 CBADRP [NH3+]CCOCC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000580715031 354996922 /nfs/dbraw/zinc/99/69/22/354996922.db2.gz WODQBTVBCGGTHF-GFCCVEGCSA-N 3 0 257.378 -0.351 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000580712335 354997097 /nfs/dbraw/zinc/99/70/97/354997097.db2.gz XLFZMAZRNLCTKD-ZJUUUORDSA-N 2 0 257.334 -0.571 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC(C)(C)CCCO)CC1 ZINC000580828684 354998614 /nfs/dbraw/zinc/99/86/14/354998614.db2.gz HURVQUZBKZAXIC-CQSZACIVSA-N 2 0 287.448 -0.017 20 0 CBADRP COCC1(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[NH2+]CC1 ZINC000584350015 355029999 /nfs/dbraw/zinc/02/99/99/355029999.db2.gz GWJSKLJUZXZSCM-NEPJUHHUSA-N 2 0 285.388 -0.375 20 0 CBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)CCC3CC[NH2+]CC3)CCN2C1=O ZINC000584480899 355030069 /nfs/dbraw/zinc/03/00/69/355030069.db2.gz SCPKJQDPUMXZRH-OLZOCXBDSA-N 2 0 294.399 -0.463 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000584350278 355030139 /nfs/dbraw/zinc/03/01/39/355030139.db2.gz ATVDOVWETPEZQZ-IJLUTSLNSA-N 2 0 282.388 -0.512 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@H]1C[NH3+] ZINC000584590252 355033013 /nfs/dbraw/zinc/03/30/13/355033013.db2.gz SQEFPOYKFPNTGP-KKOKHZNYSA-N 2 0 255.362 -0.064 20 0 CBADRP C[C@H]1CN(C(=O)COC2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000584779072 355037624 /nfs/dbraw/zinc/03/76/24/355037624.db2.gz OTWWVTVNNHDHNZ-QWRGUYRKSA-N 2 0 255.362 -0.036 20 0 CBADRP CCCC[N@H+](C)C[C@H](C)NC(=O)CNC(=O)C[NH3+] ZINC000584779116 355037810 /nfs/dbraw/zinc/03/78/10/355037810.db2.gz SPNACWBOYNNEJD-JTQLQIEISA-N 2 0 258.366 -0.702 20 0 CBADRP COCC[NH2+]CCNC(=O)C1(COC)CC[NH2+]CC1 ZINC000584838590 355039903 /nfs/dbraw/zinc/03/99/03/355039903.db2.gz WGEUMLIKWRMREJ-UHFFFAOYSA-N 2 0 273.377 -0.645 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000581440864 355005336 /nfs/dbraw/zinc/00/53/36/355005336.db2.gz UKNWYRQCMLBFAN-JTQLQIEISA-N 2 0 268.361 -0.854 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582415109 355016289 /nfs/dbraw/zinc/01/62/89/355016289.db2.gz ABDYIEZKFDCHBU-JSGCOSHPSA-N 2 0 267.373 -0.033 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000583500317 355018179 /nfs/dbraw/zinc/01/81/79/355018179.db2.gz SZTNPFRYJUWVBV-HBNTYKKESA-N 2 0 282.388 -0.419 20 0 CBADRP CCC[NH2+][C@@H](C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000583992353 355026482 /nfs/dbraw/zinc/02/64/82/355026482.db2.gz GJDLEHJXIWNEMC-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000583997106 355027385 /nfs/dbraw/zinc/02/73/85/355027385.db2.gz UDLBHSADFDSIOE-RYUDHWBXSA-N 2 0 256.394 -0.134 20 0 CBADRP CSC[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000591734984 355112506 /nfs/dbraw/zinc/11/25/06/355112506.db2.gz FYAOQXGFEHITEZ-NWDGAFQWSA-N 2 0 289.445 -0.113 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000592546531 355160875 /nfs/dbraw/zinc/16/08/75/355160875.db2.gz ANSYDSQRYXRZPZ-VHSXEESVSA-N 2 0 257.334 -0.795 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[NH2+]CC1CC1 ZINC000592548386 355161175 /nfs/dbraw/zinc/16/11/75/355161175.db2.gz ONMLKLGSWZEPLN-LLVKDONJSA-N 2 0 269.345 -0.651 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]([NH3+])CCC(=O)OC ZINC000592548545 355161188 /nfs/dbraw/zinc/16/11/88/355161188.db2.gz HGMWNGMYRLUNJM-LPEHRKFASA-N 2 0 275.324 -0.575 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000592551531 355161426 /nfs/dbraw/zinc/16/14/26/355161426.db2.gz FSHRDOUABRHYHU-GHMZBOCLSA-N 2 0 269.345 -0.651 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CC(C)(C)[NH3+] ZINC000592548970 355161997 /nfs/dbraw/zinc/16/19/97/355161997.db2.gz VKKDJSXPMJLIBS-VIFPVBQESA-N 2 0 257.334 -0.523 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CC1(C[NH3+])CC1 ZINC000592554015 355162412 /nfs/dbraw/zinc/16/24/12/355162412.db2.gz ZUBXGPDALUXGTF-JTQLQIEISA-N 2 0 269.345 -0.521 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000592552575 355162511 /nfs/dbraw/zinc/16/25/11/355162511.db2.gz ITQBMGPLXFBUSL-RYUDHWBXSA-N 2 0 295.383 -0.260 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000592552574 355162757 /nfs/dbraw/zinc/16/27/57/355162757.db2.gz ITQBMGPLXFBUSL-NWDGAFQWSA-N 2 0 295.383 -0.260 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000592552576 355162803 /nfs/dbraw/zinc/16/28/03/355162803.db2.gz ITQBMGPLXFBUSL-VXGBXAGGSA-N 2 0 295.383 -0.260 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000592047607 355128960 /nfs/dbraw/zinc/12/89/60/355128960.db2.gz ODTWNKSGMIAKMU-VHSXEESVSA-N 2 0 257.334 -0.523 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000592135923 355133636 /nfs/dbraw/zinc/13/36/36/355133636.db2.gz YKNUGSXOLJMUBO-NWDGAFQWSA-N 2 0 283.372 -0.133 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000592418992 355152636 /nfs/dbraw/zinc/15/26/36/355152636.db2.gz ATCXAUSJAWMKNQ-MJBXVCDLSA-N 2 0 281.400 -0.004 20 0 CBADRP CS[C@H](CO)[C@@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000592430972 355153795 /nfs/dbraw/zinc/15/37/95/355153795.db2.gz FTMOPPNMCTVZMC-FRRDWIJNSA-N 2 0 291.461 -0.703 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C[C@H]1CCC[NH2+]C1 ZINC000592434785 355154525 /nfs/dbraw/zinc/15/45/25/355154525.db2.gz PSEHPGSPEZQFKQ-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C[C@@H]1CCC[NH2+]C1 ZINC000592434784 355154739 /nfs/dbraw/zinc/15/47/39/355154739.db2.gz PSEHPGSPEZQFKQ-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP COC(=O)CN(C)C(=O)CC[NH+]1CCC(C)([NH3+])CC1 ZINC000592485245 355156530 /nfs/dbraw/zinc/15/65/30/355156530.db2.gz SZTVGBFPGHSOFW-UHFFFAOYSA-N 2 0 271.361 -0.179 20 0 CBADRP NC(=O)NC(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000592489091 355157105 /nfs/dbraw/zinc/15/71/05/355157105.db2.gz GSEMNLKPMRNYEZ-GFCCVEGCSA-N 2 0 254.334 -0.353 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1CC[C@@H]1CC[NH2+]C1 ZINC000592486517 355157569 /nfs/dbraw/zinc/15/75/69/355157569.db2.gz IEKJNECNHZQWRJ-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000592964928 355187746 /nfs/dbraw/zinc/18/77/46/355187746.db2.gz UFZCWGAJBAFESG-NSHDSACASA-N 2 0 271.361 -0.308 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H]1CCC[NH2+]CC1 ZINC000593908068 355228380 /nfs/dbraw/zinc/22/83/80/355228380.db2.gz XHIPPEWOHADPHK-NWDGAFQWSA-N 2 0 283.372 -0.260 20 0 CBADRP NC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593728677 355217080 /nfs/dbraw/zinc/21/70/80/355217080.db2.gz CHUGURCVTJGPRM-AXFHLTTASA-N 2 0 284.360 -0.458 20 0 CBADRP COCC(C)(C)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594739790 355260507 /nfs/dbraw/zinc/26/05/07/355260507.db2.gz VEYLPKGODFFZFS-WDEREUQCSA-N 2 0 255.362 -0.097 20 0 CBADRP CC(C)([NH3+])CCC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594873944 355265694 /nfs/dbraw/zinc/26/56/94/355265694.db2.gz WEQLJNHWHXUFET-UWVGGRQHSA-N 2 0 268.361 -0.726 20 0 CBADRP CC(C)[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@H](C)[NH3+] ZINC000594877975 355266881 /nfs/dbraw/zinc/26/68/81/355266881.db2.gz JKNQDHLOQISGPJ-QCNOEVLYSA-N 2 0 282.388 -0.624 20 0 CBADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594878148 355267282 /nfs/dbraw/zinc/26/72/82/355267282.db2.gz PUEGFRNYVPJQKP-SDDRHHMPSA-N 2 0 294.399 -0.465 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)CCN2C1=O ZINC000594879328 355267816 /nfs/dbraw/zinc/26/78/16/355267816.db2.gz MZMCVSGVIGYVGX-LPWJVIDDSA-N 2 0 292.383 -0.713 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419417090 295901675 /nfs/dbraw/zinc/90/16/75/295901675.db2.gz HTHHQTKOFFUVCO-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP O[C@H](C[NH2+]C[C@H]1CNc2ccnn2C1)C[NH+]1CCCC1 ZINC000595155412 355273135 /nfs/dbraw/zinc/27/31/35/355273135.db2.gz YLTWZTFZPDYXRH-QWHCGFSZSA-N 2 0 279.388 -0.029 20 0 CBADRP COC(=O)Cn1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)nn1 ZINC000594515174 355251564 /nfs/dbraw/zinc/25/15/64/355251564.db2.gz RGFMQINUNHUGRN-KLPPZKSPSA-N 2 0 281.360 -0.119 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419429867 295901251 /nfs/dbraw/zinc/90/12/51/295901251.db2.gz VDIYNFREYNUOST-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP COC(=O)CCN1CCC[C@H]([N@@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000595892804 355314369 /nfs/dbraw/zinc/31/43/69/355314369.db2.gz NYXAMXNCFOEBTD-NEPJUHHUSA-N 2 0 283.372 -0.179 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595895484 355315614 /nfs/dbraw/zinc/31/56/14/355315614.db2.gz OEGRAJRUYQGJCZ-NWDGAFQWSA-N 2 0 283.372 -0.656 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000595949472 355325960 /nfs/dbraw/zinc/32/59/60/355325960.db2.gz DUXLBMDMAZUWAT-NXEZZACHSA-N 2 0 257.334 -0.652 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000332713218 283095475 /nfs/dbraw/zinc/09/54/75/283095475.db2.gz LRJIQRJIZOYVBP-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C3([NH3+])CC4(CCC4)C3)CCN2C1=O ZINC000595971834 355331333 /nfs/dbraw/zinc/33/13/33/355331333.db2.gz SKYPGRWKMWGNNJ-WDEREUQCSA-N 2 0 292.383 -0.582 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CCCC[NH2+]3)CCN2C1=O ZINC000595267899 355277397 /nfs/dbraw/zinc/27/73/97/355277397.db2.gz PCUCCILNFKMYLG-GRYCIOLGSA-N 2 0 295.387 -0.918 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595274627 355278106 /nfs/dbraw/zinc/27/81/06/355278106.db2.gz YLLATUAXQJXFLG-QJPTWQEYSA-N 2 0 297.403 -0.687 20 0 CBADRP COC(=O)CCN1CC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000595294264 355279305 /nfs/dbraw/zinc/27/93/05/355279305.db2.gz YHNUIZXMFHTVAY-TUAOUCFPSA-N 2 0 281.356 -0.698 20 0 CBADRP COC(=O)CCN1CCC[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000595293227 355279710 /nfs/dbraw/zinc/27/97/10/355279710.db2.gz HWQZTJNMMSMMDP-UPJWGTAASA-N 2 0 295.383 -0.308 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000424171765 283098422 /nfs/dbraw/zinc/09/84/22/283098422.db2.gz JKYOEAKKCKRVSX-JHJVBQTASA-N 2 0 267.373 -0.083 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000596106136 355344209 /nfs/dbraw/zinc/34/42/09/355344209.db2.gz PQPNPZLXTRWLCL-FVCCEPFGSA-N 3 0 266.389 -0.524 20 0 CBADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCNC2=O)CC[NH2+]CC1 ZINC000596646255 355361482 /nfs/dbraw/zinc/36/14/82/355361482.db2.gz TZOCLHFMXLFZIZ-QWRGUYRKSA-N 2 0 283.372 -0.214 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598668675 355449190 /nfs/dbraw/zinc/44/91/90/355449190.db2.gz XMBAULPXIDYEMM-HOTUBEGUSA-N 2 0 255.318 -0.783 20 0 CBADRP COC(=O)CCNC(=O)CC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000600710056 355562099 /nfs/dbraw/zinc/56/20/99/355562099.db2.gz NRYUHGOBEBEZFO-UWVGGRQHSA-N 2 0 259.350 -0.229 20 0 CBADRP COC(=O)CCNC(=O)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000600711581 355562342 /nfs/dbraw/zinc/56/23/42/355562342.db2.gz SHMVUVLNZHPODJ-MNOVXSKESA-N 2 0 271.361 -0.085 20 0 CBADRP COC(=O)CCN1CC[C@H]([N@H+](C)CCOCC[NH3+])C1=O ZINC000600742485 355564207 /nfs/dbraw/zinc/56/42/07/355564207.db2.gz WGGZHQMLWOQPSB-NSHDSACASA-N 2 0 287.360 -0.943 20 0 CBADRP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CCOCC[NH3+] ZINC000600735361 355564423 /nfs/dbraw/zinc/56/44/23/355564423.db2.gz MHMZCYPBVFCCPY-SECBINFHSA-N 2 0 272.349 -0.730 20 0 CBADRP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000600942486 355571465 /nfs/dbraw/zinc/57/14/65/355571465.db2.gz IUFPZQDCMAIBAR-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)N1CCCC1 ZINC000602255482 355642682 /nfs/dbraw/zinc/64/26/82/355642682.db2.gz SEWJHZHAQAEXLU-UHFFFAOYSA-N 2 0 292.449 -0.248 20 0 CBADRP CC[NH+](CC)CCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602463473 355652081 /nfs/dbraw/zinc/65/20/81/355652081.db2.gz BCCIZQZSLWURDL-LJQANCHMSA-N 2 0 289.445 -0.055 20 0 CBADRP CC(C)[N@H+](C)CCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602472676 355652366 /nfs/dbraw/zinc/65/23/66/355652366.db2.gz JMOVLDQZHBDGHU-LJQANCHMSA-N 2 0 289.445 -0.057 20 0 CBADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000602522678 355656694 /nfs/dbraw/zinc/65/66/94/355656694.db2.gz FVDJWXVTPYNERD-SRVKXCTJSA-N 2 0 282.388 -0.480 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000602523733 355657630 /nfs/dbraw/zinc/65/76/30/355657630.db2.gz HOMLNXIZMNOHKD-GRYCIOLGSA-N 2 0 280.372 -0.901 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000602605573 355664841 /nfs/dbraw/zinc/66/48/41/355664841.db2.gz WZZNFHVBQZEIET-GRYCIOLGSA-N 2 0 283.372 -0.133 20 0 CBADRP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000602023644 355625627 /nfs/dbraw/zinc/62/56/27/355625627.db2.gz ZFDLNVNVRJWFFE-MMWGEVLESA-N 2 0 271.361 -0.230 20 0 CBADRP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000602023651 355626034 /nfs/dbraw/zinc/62/60/34/355626034.db2.gz ZFDLNVNVRJWFFE-UKKRHICBSA-N 2 0 271.361 -0.230 20 0 CBADRP CC[N@H+](C)C[C@H](O)Cn1cc(CSCC[NH3+])nn1 ZINC000603262491 355701802 /nfs/dbraw/zinc/70/18/02/355701802.db2.gz WLLQPTKTDVTWFR-NSHDSACASA-N 2 0 273.406 -0.217 20 0 CBADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602875809 355679438 /nfs/dbraw/zinc/67/94/38/355679438.db2.gz APULOSVSEOICSQ-JTQLQIEISA-N 2 0 268.361 -0.013 20 0 CBADRP CC(CN1C[C@H]2C[NH2+]C[C@H]2C1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000605575565 355735832 /nfs/dbraw/zinc/73/58/32/355735832.db2.gz HNROONTYVKQOMT-GEEKYZPCSA-N 4 0 278.444 -0.075 20 0 CBADRP C[C@@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000605575569 355735872 /nfs/dbraw/zinc/73/58/72/355735872.db2.gz HNROONTYVKQOMT-QMHWVQJVSA-N 4 0 278.444 -0.075 20 0 CBADRP C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000607151005 355745912 /nfs/dbraw/zinc/74/59/12/355745912.db2.gz ZSTUQNQBBGCBPG-AJNGGQMLSA-N 3 0 264.417 -0.321 20 0 CBADRP C[C@H](CNC(=O)N[C@@]1(C)CC[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000612887599 355855075 /nfs/dbraw/zinc/85/50/75/355855075.db2.gz QREZKGDAPIXEDN-HIFRSBDPSA-N 2 0 297.447 -0.079 20 0 CBADRP C[C@]1(NC(=O)NC[C@@H]2C[NH2+]CCCO2)CC[NH2+]C1 ZINC000612923589 355857060 /nfs/dbraw/zinc/85/70/60/355857060.db2.gz JZNJEDONIQUYTQ-JQWIXIFHSA-N 2 0 256.350 -0.584 20 0 CBADRP C[C@@]1(NC(=O)NC[C@H]2C[NH2+]CCCO2)CC[NH2+]C1 ZINC000612923715 355857081 /nfs/dbraw/zinc/85/70/81/355857081.db2.gz JZNJEDONIQUYTQ-ZYHUDNBSSA-N 2 0 256.350 -0.584 20 0 CBADRP C[C@@]1(NC(=O)NC[C@@H]2C[NH2+]CCCO2)CC[NH2+]C1 ZINC000612923588 355857341 /nfs/dbraw/zinc/85/73/41/355857341.db2.gz JZNJEDONIQUYTQ-CMPLNLGQSA-N 2 0 256.350 -0.584 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612974508 355858542 /nfs/dbraw/zinc/85/85/42/355858542.db2.gz HRXPMVSACLVHCD-AAEUAGOBSA-N 2 0 284.404 -0.260 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612979883 355858631 /nfs/dbraw/zinc/85/86/31/355858631.db2.gz KGQPABIKCCKETF-LBPRGKRZSA-N 2 0 284.404 -0.258 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)[C@@H](C[NH3+])C1 ZINC000612994405 355860342 /nfs/dbraw/zinc/86/03/42/355860342.db2.gz SNHVVSIWCCPPOW-NWDGAFQWSA-N 2 0 281.404 -0.587 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CCO1 ZINC000612995164 355860422 /nfs/dbraw/zinc/86/04/22/355860422.db2.gz WOVSFUVWVFHLER-SDDRHHMPSA-N 2 0 282.388 -0.114 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612994001 355860823 /nfs/dbraw/zinc/86/08/23/355860823.db2.gz RIJICKDIIVVTRH-RYUDHWBXSA-N 2 0 282.388 -0.194 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614854794 355992564 /nfs/dbraw/zinc/99/25/64/355992564.db2.gz SJYICNHTJBHCSB-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000614506872 355965193 /nfs/dbraw/zinc/96/51/93/355965193.db2.gz JYAWMFGTFXCUGL-QWHCGFSZSA-N 2 0 266.389 -0.413 20 0 CBADRP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000618191897 356179352 /nfs/dbraw/zinc/17/93/52/356179352.db2.gz WMUJNWUOOIPJCM-ZDUSSCGKSA-N 2 0 266.389 -0.604 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000619898075 356231234 /nfs/dbraw/zinc/23/12/34/356231234.db2.gz QFRSMCCAHRWQOY-ZIAGYGMSSA-N 2 0 280.416 -0.023 20 0 CBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)[C@@H]2C1 ZINC000332291533 283144794 /nfs/dbraw/zinc/14/47/94/283144794.db2.gz TVDPMYKGDJORLF-YNEHKIRRSA-N 2 0 294.399 -0.511 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621698717 356281295 /nfs/dbraw/zinc/28/12/95/356281295.db2.gz DKPOCTUYVXAXQX-UKRRQHHQSA-N 2 0 280.416 -0.036 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621700560 356281792 /nfs/dbraw/zinc/28/17/92/356281792.db2.gz QZKWNIYIYRZUPK-ZPFDUUQYSA-N 2 0 253.346 -0.310 20 0 CBADRP CNS(=O)(=O)CCN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000621323208 356272303 /nfs/dbraw/zinc/27/23/03/356272303.db2.gz WCWRWZPVUJKJFO-GFCCVEGCSA-N 2 0 293.433 -0.422 20 0 CBADRP O=C(CC[C@H]1CCC[NH2+]C1)NCC(=O)N1CC[NH2+]CC1 ZINC000621621036 356278252 /nfs/dbraw/zinc/27/82/52/356278252.db2.gz PPUOCTURBQEBPG-GFCCVEGCSA-N 2 0 282.388 -0.686 20 0 CBADRP COC[C@]1(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]C1 ZINC000621683078 356280656 /nfs/dbraw/zinc/28/06/56/356280656.db2.gz PKKMRUIKPSDMFT-KWCYVHTRSA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)nn1 ZINC000621682222 356280748 /nfs/dbraw/zinc/28/07/48/356280748.db2.gz BRTZWHXWTLWAGX-RISCZKNCSA-N 2 0 292.387 -0.030 20 0 CBADRP [NH3+][C@@]12CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)C2 ZINC000621784309 356284389 /nfs/dbraw/zinc/28/43/89/356284389.db2.gz MTNPEGMWXYHPTC-TZMCWYRMSA-N 2 0 266.389 -0.379 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622025277 356300287 /nfs/dbraw/zinc/30/02/87/356300287.db2.gz NUSWKLGVTCTMLC-FZMZJTMJSA-N 2 0 282.388 -0.654 20 0 CBADRP CN(CCC[NH2+]Cc1cnnn1C)CC[NH+](C)C ZINC000623088092 356354703 /nfs/dbraw/zinc/35/47/03/356354703.db2.gz WBLRYVGHWDRTFA-UHFFFAOYSA-N 2 0 254.382 -0.212 20 0 CBADRP C[NH+](C)[C@@H](CNc1nc(N)[nH+]c(N)n1)c1ccco1 ZINC000623797455 356376424 /nfs/dbraw/zinc/37/64/24/356376424.db2.gz UMQYEXQDOLVHGZ-ZETCQYMHSA-N 2 0 263.305 -0.574 20 0 CBADRP CC(C)[C@H](CNc1nc(N)[nH+]c(N)n1)[NH+]1CCCC1 ZINC000623833528 356377710 /nfs/dbraw/zinc/37/77/10/356377710.db2.gz KCOCDZDRPRCYBJ-VIFPVBQESA-N 2 0 265.365 -0.349 20 0 CBADRP C[C@H](CNc1nc(N)[nH+]c(N)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000623859099 356379558 /nfs/dbraw/zinc/37/95/58/356379558.db2.gz AWIDDDXDAGICBR-DTWKUNHWSA-N 2 0 265.365 -0.349 20 0 CBADRP C[NH+](C)C1(CNc2nc(N)[nH+]c(N)n2)CCCC1 ZINC000623850755 356379563 /nfs/dbraw/zinc/37/95/63/356379563.db2.gz QJOCXAMSMDXYOC-UHFFFAOYSA-N 2 0 251.338 -0.595 20 0 CBADRP C[NH+](C)[C@H](CNc1nc(N)[nH+]c(N)n1)c1ccc(F)cc1 ZINC000623877334 356380036 /nfs/dbraw/zinc/38/00/36/356380036.db2.gz YVRXCXFEBNPGKB-SNVBAGLBSA-N 2 0 291.334 -0.027 20 0 CBADRP C[C@H]1C[C@H](C)C[NH+](CCCNc2nc(N)[nH+]c(N)n2)C1 ZINC000623864307 356380301 /nfs/dbraw/zinc/38/03/01/356380301.db2.gz LNQJOQWJZBPNNV-UWVGGRQHSA-N 2 0 279.392 -0.101 20 0 CBADRP C[C@H](CNc1nc(N)[nH+]c(N)n1)C[NH+]1CCCC1 ZINC000623875581 356380635 /nfs/dbraw/zinc/38/06/35/356380635.db2.gz OSLURQOCRKTHTF-MRVPVSSYSA-N 2 0 251.338 -0.738 20 0 CBADRP CC[N@@H+]1CCC[C@@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000623908437 356381254 /nfs/dbraw/zinc/38/12/54/356381254.db2.gz BHXLNPBRHGVJJI-QMMMGPOBSA-N 2 0 251.338 -0.738 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000623913671 356382312 /nfs/dbraw/zinc/38/23/12/356382312.db2.gz XDYLJPACNHOQPX-MRVPVSSYSA-N 2 0 251.338 -0.336 20 0 CBADRP C[C@@H](Nc1nc(N)[nH+]c(N)n1)C1CC[NH+](C)CC1 ZINC000623969906 356385018 /nfs/dbraw/zinc/38/50/18/356385018.db2.gz YHQSEUVPHPNFSK-SSDOTTSWSA-N 2 0 251.338 -0.739 20 0 CBADRP CC[N@@H+]1CC[C@@H](N(C)c2nc(N)[nH+]c(N)n2)[C@H](C)C1 ZINC000623991417 356387329 /nfs/dbraw/zinc/38/73/29/356387329.db2.gz HCAOEBNALRBSSK-RKDXNWHRSA-N 2 0 265.365 -0.137 20 0 CBADRP CC[NH+](CC)CCO[C@H]1CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624014041 356389192 /nfs/dbraw/zinc/38/91/92/356389192.db2.gz PUPHLUYVZBDSCB-JTQLQIEISA-N 2 0 295.391 -0.366 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000624032599 356390351 /nfs/dbraw/zinc/39/03/51/356390351.db2.gz RTAMIJAGJKMXOH-VIFPVBQESA-N 2 0 265.365 -0.492 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1nc(N)[nH+]c(N)n1 ZINC000624026007 356391082 /nfs/dbraw/zinc/39/10/82/356391082.db2.gz XQUXRGKGVBMEAF-BDAKNGLRSA-N 2 0 263.349 -0.240 20 0 CBADRP C[NH+](C)CCN(Cc1ccco1)c1nc(N)[nH+]c(N)n1 ZINC000624035082 356391102 /nfs/dbraw/zinc/39/11/02/356391102.db2.gz JFQMZYNTNGINAL-UHFFFAOYSA-N 2 0 277.332 -0.142 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2nc(N)[nH+]c(N)n2)C1 ZINC000624050130 356391703 /nfs/dbraw/zinc/39/17/03/356391703.db2.gz ZLKOPOHPACYNAT-IUCAKERBSA-N 2 0 263.349 -0.383 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(c3nc(N)[nH+]c(N)n3)CC[C@H]21 ZINC000624041341 356392158 /nfs/dbraw/zinc/39/21/58/356392158.db2.gz QVLGEOHPLKISNG-DTWKUNHWSA-N 2 0 263.349 -0.383 20 0 CBADRP CC[N@@H+]1C[C@@H](C)N(c2nc(N)[nH+]c(N)n2)C[C@H]1C ZINC000624075549 356395171 /nfs/dbraw/zinc/39/51/71/356395171.db2.gz KVBNESSGOJIEIC-HTQZYQBOSA-N 2 0 251.338 -0.384 20 0 CBADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1cncc(F)c1 ZINC000624369339 356414090 /nfs/dbraw/zinc/41/40/90/356414090.db2.gz BGYKXLSQJAAZGZ-UHFFFAOYSA-N 2 0 290.364 -0.091 20 0 CBADRP Nc1nc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)nc(N)[nH+]1 ZINC000624375462 356414948 /nfs/dbraw/zinc/41/49/48/356414948.db2.gz QQNKDVMLDVIJKJ-DTWKUNHWSA-N 2 0 263.349 -0.453 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)Nc1nc(N)[nH+]c(N)n1 ZINC000624400389 356417963 /nfs/dbraw/zinc/41/79/63/356417963.db2.gz MQKKEMWTFDBMCQ-SECBINFHSA-N 2 0 265.365 -0.349 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNc2nc(N)[nH+]c(N)n2)C1 ZINC000624272899 356408767 /nfs/dbraw/zinc/40/87/67/356408767.db2.gz SICGEKRAJCYJKB-MRVPVSSYSA-N 2 0 251.338 -0.738 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)NCC[N@@H+]1CC[C@H](O)C1)C(F)(F)F ZINC000625898163 356496342 /nfs/dbraw/zinc/49/63/42/356496342.db2.gz HTCDVECYFINNIK-DTWKUNHWSA-N 2 0 298.309 -0.368 20 0 CBADRP [NH3+]CC[C@H](NC(=O)NCC[N@@H+]1CC[C@@H](O)C1)C(F)(F)F ZINC000625898162 356496498 /nfs/dbraw/zinc/49/64/98/356496498.db2.gz HTCDVECYFINNIK-BDAKNGLRSA-N 2 0 298.309 -0.368 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)NCC[N@@H+]1CC[C@@H](O)C1)C(F)(F)F ZINC000625898165 356496664 /nfs/dbraw/zinc/49/66/64/356496664.db2.gz HTCDVECYFINNIK-RKDXNWHRSA-N 2 0 298.309 -0.368 20 0 CBADRP C[NH2+]CCOCCNC(=O)Nc1ccnn1CC[NH+](C)C ZINC000625891113 356496752 /nfs/dbraw/zinc/49/67/52/356496752.db2.gz 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356573476 /nfs/dbraw/zinc/57/34/76/356573476.db2.gz KQBFHLNPUKWRDE-VXGBXAGGSA-N 2 0 270.377 -0.648 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NC1CC[NH2+]CC1 ZINC000627060172 356570688 /nfs/dbraw/zinc/57/06/88/356570688.db2.gz AFCMYRSZQUZDJW-UHFFFAOYSA-N 2 0 258.366 -0.384 20 0 CBADRP CC[NH2+]CCCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000627062723 356571430 /nfs/dbraw/zinc/57/14/30/356571430.db2.gz ATQFEFDUCADMKX-UHFFFAOYSA-N 2 0 258.366 -0.207 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)NCCCN2CC[NH2+]CC2)C[NH2+]1 ZINC000627064061 356571610 /nfs/dbraw/zinc/57/16/10/356571610.db2.gz QAFJSPOHQOSIDV-CHWSQXEVSA-N 2 0 283.420 -0.279 20 0 CBADRP CN1CCOC[C@H]1CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000627065763 356571853 /nfs/dbraw/zinc/57/18/53/356571853.db2.gz JZTWYPRQGIXVJY-NWDGAFQWSA-N 2 0 270.377 -0.242 20 0 CBADRP C[C@H](NC(=O)N(C)CCOCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC000627069638 356572540 /nfs/dbraw/zinc/57/25/40/356572540.db2.gz QENZUFPTZYZEDH-RYUDHWBXSA-N 2 0 272.393 -0.009 20 0 CBADRP C[NH2+]CCOCCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000627066858 356572690 /nfs/dbraw/zinc/57/26/90/356572690.db2.gz XJMPEORFTVBWSY-NSHDSACASA-N 2 0 258.366 -0.336 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)NCCN2CC[NH2+]CC2)C[NH2+]1 ZINC000627066289 356572706 /nfs/dbraw/zinc/57/27/06/356572706.db2.gz REXYMNHFKKEGQX-NWDGAFQWSA-N 2 0 269.393 -0.669 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000626983008 356563115 /nfs/dbraw/zinc/56/31/15/356563115.db2.gz YQDQVTSMUQRDEJ-STQMWFEESA-N 2 0 282.388 -0.242 20 0 CBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000626986339 356563277 /nfs/dbraw/zinc/56/32/77/356563277.db2.gz GCKQQEDUIWQFOG-ZIAGYGMSSA-N 2 0 297.447 -0.079 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000626983007 356563318 /nfs/dbraw/zinc/56/33/18/356563318.db2.gz YQDQVTSMUQRDEJ-QWHCGFSZSA-N 2 0 282.388 -0.242 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000626982527 356563424 /nfs/dbraw/zinc/56/34/24/356563424.db2.gz KDODHRZXXWUNHT-GFCCVEGCSA-N 2 0 288.392 -0.758 20 0 CBADRP CCN(CC[NH3+])C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000626986776 356563672 /nfs/dbraw/zinc/56/36/72/356563672.db2.gz MSRMXNCMQXAHRF-ZDUSSCGKSA-N 2 0 285.436 -0.140 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)NCC2([NH3+])CCOCC2)C[NH2+]1 ZINC000627146725 356588878 /nfs/dbraw/zinc/58/88/78/356588878.db2.gz CUPPJZRBBIBNMK-MNOVXSKESA-N 2 0 270.377 -0.066 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1([NH3+])CCOCC1 ZINC000627147433 356588896 /nfs/dbraw/zinc/58/88/96/356588896.db2.gz NKIGCTCAVVVCHL-VHSXEESVSA-N 2 0 256.350 -0.456 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCOCC[NH2+]C ZINC000627157173 356590304 /nfs/dbraw/zinc/59/03/04/356590304.db2.gz PNLORGQYXSKBQF-WDEREUQCSA-N 2 0 258.366 -0.338 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCC(C)([NH3+])CC1 ZINC000627170954 356592187 /nfs/dbraw/zinc/59/21/87/356592187.db2.gz MBVGUVQOJMHBKP-UHFFFAOYSA-N 2 0 258.366 -0.255 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000627169604 356592245 /nfs/dbraw/zinc/59/22/45/356592245.db2.gz LLRDHVVGIMJJGU-LBPRGKRZSA-N 2 0 272.393 -0.138 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000627170933 356592367 /nfs/dbraw/zinc/59/23/67/356592367.db2.gz LOQYVQBVCHKEJK-GHMZBOCLSA-N 2 0 258.366 -0.399 20 0 CBADRP CC[C@H]1CN(C(=O)NCCOCC[NH2+]C)CC[C@@H]1[NH3+] ZINC000627170584 356592422 /nfs/dbraw/zinc/59/24/22/356592422.db2.gz DFGJFCAMJWZICU-RYUDHWBXSA-N 2 0 272.393 -0.009 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000627171033 356592586 /nfs/dbraw/zinc/59/25/86/356592586.db2.gz OUMMXICWOHBOOT-AVGNSLFASA-N 2 0 284.404 -0.009 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000627171401 356593126 /nfs/dbraw/zinc/59/31/26/356593126.db2.gz VJIUGEMIYGDEDN-CYBMUJFWSA-N 2 0 270.377 -0.383 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000627171927 356593276 /nfs/dbraw/zinc/59/32/76/356593276.db2.gz MOEMXOIPHBAJJF-GHMZBOCLSA-N 2 0 258.366 -0.399 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627073124 356573535 /nfs/dbraw/zinc/57/35/35/356573535.db2.gz KQBFHLNPUKWRDE-NWDGAFQWSA-N 2 0 270.377 -0.648 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H]1CCC[NH2+]C1 ZINC000627075869 356574182 /nfs/dbraw/zinc/57/41/82/356574182.db2.gz PHHBAIWFTXMBEA-QWRGUYRKSA-N 2 0 256.350 -0.896 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000627074047 356574644 /nfs/dbraw/zinc/57/46/44/356574644.db2.gz MOEQSMLAZAFIBW-NSHDSACASA-N 2 0 258.366 -0.384 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)NCC1([NH3+])CCOCC1 ZINC000627077157 356575001 /nfs/dbraw/zinc/57/50/01/356575001.db2.gz UVETXAHKPSFGPA-JTQLQIEISA-N 2 0 258.366 -0.223 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000627077118 356575287 /nfs/dbraw/zinc/57/52/87/356575287.db2.gz TUBUUJZVTZKRDE-JTQLQIEISA-N 2 0 258.366 -0.223 20 0 CBADRP C[NH2+]CCOCCNC(=O)NC1CCC([NH3+])CC1 ZINC000627077003 356575661 /nfs/dbraw/zinc/57/56/61/356575661.db2.gz OYMQMZSZCLZMHH-UHFFFAOYSA-N 2 0 258.366 -0.209 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627079957 356576521 /nfs/dbraw/zinc/57/65/21/356576521.db2.gz MCMMKYPNJDCWFA-NEPJUHHUSA-N 2 0 272.393 -0.130 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627080912 356577453 /nfs/dbraw/zinc/57/74/53/356577453.db2.gz PAYQPXIBPPVNTN-SNVBAGLBSA-N 2 0 258.366 -0.209 20 0 CBADRP CC1(CNC(=O)NC[C@H]2COCC[NH2+]2)CC[NH2+]CC1 ZINC000627082918 356578233 /nfs/dbraw/zinc/57/82/33/356578233.db2.gz DEXZHQMRMFSUJM-NSHDSACASA-N 2 0 270.377 -0.336 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[NH2+]CCOC ZINC000627083065 356578262 /nfs/dbraw/zinc/57/82/62/356578262.db2.gz PNNICBJHJFMDTG-WDEREUQCSA-N 2 0 258.366 -0.338 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627083327 356578514 /nfs/dbraw/zinc/57/85/14/356578514.db2.gz QFWIXCRPZQVOHV-NSHDSACASA-N 2 0 270.377 -0.194 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000627086113 356578657 /nfs/dbraw/zinc/57/86/57/356578657.db2.gz HNRSOJZYVAXEKI-LLVKDONJSA-N 2 0 258.366 -0.336 20 0 CBADRP CN1CCOC[C@H]1CNC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000627085178 356578767 /nfs/dbraw/zinc/57/87/67/356578767.db2.gz JINUYGODYAVSHX-GHMZBOCLSA-N 2 0 256.350 -0.774 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000627088690 356580572 /nfs/dbraw/zinc/58/05/72/356580572.db2.gz SJHYDBJJNVSPET-GHMZBOCLSA-N 2 0 258.366 -0.480 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC[NH2+]1 ZINC000627088487 356580886 /nfs/dbraw/zinc/58/08/86/356580886.db2.gz IONBDHMCXBJASR-SRVKXCTJSA-N 2 0 270.377 -0.507 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000627088695 356580914 /nfs/dbraw/zinc/58/09/14/356580914.db2.gz SJHYDBJJNVSPET-WDEREUQCSA-N 2 0 258.366 -0.480 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)CCOCC[NH3+] ZINC000627088685 356581026 /nfs/dbraw/zinc/58/10/26/356581026.db2.gz SEXANYUYCLJBMR-MNOVXSKESA-N 2 0 258.366 -0.399 20 0 CBADRP O=C(NCCC1=CC[NH2+]CC1)NCC[N@H+]1CC[C@H](O)C1 ZINC000627090337 356581593 /nfs/dbraw/zinc/58/15/93/356581593.db2.gz SDTHJYKXPTYQBI-ZDUSSCGKSA-N 2 0 282.388 -0.338 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000627089722 356581638 /nfs/dbraw/zinc/58/16/38/356581638.db2.gz YYIOJXJNTFPFOO-QWRGUYRKSA-N 2 0 258.366 -0.209 20 0 CBADRP CCN(CC[NH3+])C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000627092182 356581721 /nfs/dbraw/zinc/58/17/21/356581721.db2.gz OQYQYNJJEMSGLY-GFCCVEGCSA-N 2 0 258.366 -0.255 20 0 CBADRP [NH3+]CC[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)C(F)F ZINC000627099783 356582650 /nfs/dbraw/zinc/58/26/50/356582650.db2.gz XJUFUQXTFXMWMG-SFYZADRCSA-N 2 0 266.292 -0.744 20 0 CBADRP C[C@@H](CCC[NH3+])NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627096635 356582705 /nfs/dbraw/zinc/58/27/05/356582705.db2.gz XPWMIVYSSOCIIG-QWRGUYRKSA-N 2 0 258.366 -0.520 20 0 CBADRP O=C(NCCC[C@H]1CCC[NH2+]1)NC[C@H]1COCC[NH2+]1 ZINC000627101025 356582787 /nfs/dbraw/zinc/58/27/87/356582787.db2.gz PREUAOVIOFOHOZ-NEPJUHHUSA-N 2 0 270.377 -0.194 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000627103057 356583392 /nfs/dbraw/zinc/58/33/92/356583392.db2.gz XWZKPBWHVCBKOJ-QJPTWQEYSA-N 2 0 270.377 -0.520 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000627103450 356583489 /nfs/dbraw/zinc/58/34/89/356583489.db2.gz SDFGPGQJYUCBEL-VXGBXAGGSA-N 2 0 270.377 -0.242 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000627102805 356583810 /nfs/dbraw/zinc/58/38/10/356583810.db2.gz UMJHHHIGZMQZJW-OUAUKWLOSA-N 2 0 256.350 -0.586 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627108060 356584287 /nfs/dbraw/zinc/58/42/87/356584287.db2.gz PVDZKIGAWHAZGF-HBNTYKKESA-N 2 0 258.366 -0.522 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000627106081 356584355 /nfs/dbraw/zinc/58/43/55/356584355.db2.gz PMFUXJCPSKCHNU-FRRDWIJNSA-N 2 0 284.404 -0.090 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC1([NH3+])CCOCC1 ZINC000627105446 356584482 /nfs/dbraw/zinc/58/44/82/356584482.db2.gz ACHFKUXOBXCJMZ-VHSXEESVSA-N 2 0 258.366 -0.081 20 0 CBADRP [NH3+]CC1(CCNC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627109801 356585162 /nfs/dbraw/zinc/58/51/62/356585162.db2.gz NMCJTJUOJQVBAX-SNVBAGLBSA-N 2 0 256.350 -0.597 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000627116894 356585875 /nfs/dbraw/zinc/58/58/75/356585875.db2.gz AWSYZKJZYQZLES-VHSXEESVSA-N 2 0 294.359 -0.419 20 0 CBADRP C[NH2+]CCOCCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000627115639 356585941 /nfs/dbraw/zinc/58/59/41/356585941.db2.gz CXTDLFYXSBSDQU-LLVKDONJSA-N 2 0 260.382 -0.105 20 0 CBADRP [NH3+]CC1(NC(=O)NCC23CC(C2)C[NH2+]3)CCOCC1 ZINC000627116013 356586106 /nfs/dbraw/zinc/58/61/06/356586106.db2.gz HTORLDVYNBQFCM-UHFFFAOYSA-N 2 0 268.361 -0.455 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[NH2+]1 ZINC000627118022 356586745 /nfs/dbraw/zinc/58/67/45/356586745.db2.gz NEOOQWTUMVURQR-BDAKNGLRSA-N 2 0 294.359 -0.419 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627126677 356586757 /nfs/dbraw/zinc/58/67/57/356586757.db2.gz IMAQBDIVSAKZPR-NSHDSACASA-N 2 0 270.377 -0.112 20 0 CBADRP C[C@H]1CN(C(=O)NCCOCCC[NH3+])[C@@H](C)C[NH2+]1 ZINC000627219093 356607976 /nfs/dbraw/zinc/60/79/76/356607976.db2.gz PHGCMXMEZDEJMU-QWRGUYRKSA-N 2 0 258.366 -0.256 20 0 CBADRP C[C@H]1CCN(C(=O)NCCOCCC[NH3+])C[C@@H]1C[NH3+] ZINC000627219176 356608276 /nfs/dbraw/zinc/60/82/76/356608276.db2.gz RLFJAGAPHKXVTD-RYUDHWBXSA-N 2 0 272.393 -0.022 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CCO1 ZINC000627244742 356611284 /nfs/dbraw/zinc/61/12/84/356611284.db2.gz GVOAHODBIZJDHU-UKKRHICBSA-N 2 0 256.350 -0.506 20 0 CBADRP O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CC[NH2+]C1 ZINC000627252493 356614030 /nfs/dbraw/zinc/61/40/30/356614030.db2.gz WNWJTFHFUQYTSU-UTUOFQBUSA-N 2 0 268.361 -0.489 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000627259137 356615769 /nfs/dbraw/zinc/61/57/69/356615769.db2.gz NNMPTVDLKCZYEE-RWMBFGLXSA-N 2 0 267.373 -0.252 20 0 CBADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NC[C@H]1COCC[NH2+]1)C2 ZINC000627190300 356601350 /nfs/dbraw/zinc/60/13/50/356601350.db2.gz FBNFFCVPYTYJCT-OBJOEFQTSA-N 2 0 282.388 -0.255 20 0 CBADRP C[NH+](C)CC(C)(C)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627190653 356602720 /nfs/dbraw/zinc/60/27/20/356602720.db2.gz QZYJRVOCUQEUHN-JTQLQIEISA-N 2 0 258.366 -0.386 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@H]1COCC[NH2+]1)C2 ZINC000627192259 356603314 /nfs/dbraw/zinc/60/33/14/356603314.db2.gz RSNFNKKNISUBCE-FPMFFAJLSA-N 2 0 282.388 -0.384 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)N2CCCO[C@H](C[NH3+])C2)C[NH2+]1 ZINC000627210793 356605932 /nfs/dbraw/zinc/60/59/32/356605932.db2.gz VOQXDINXYRYJLF-IJLUTSLNSA-N 2 0 270.377 -0.114 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)NC2(C[NH3+])CCOCC2)C[NH2+]1 ZINC000627208338 356606150 /nfs/dbraw/zinc/60/61/50/356606150.db2.gz IRNVXPVGEMPEQW-MNOVXSKESA-N 2 0 270.377 -0.066 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[NH2+]1 ZINC000627210595 356606182 /nfs/dbraw/zinc/60/61/82/356606182.db2.gz SADJMHQBNSLWAR-HZSPNIEDSA-N 2 0 295.431 -0.184 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000627349565 356630401 /nfs/dbraw/zinc/63/04/01/356630401.db2.gz RNMUARUDDYYJMU-HBNTYKKESA-N 2 0 280.372 -0.794 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000627349492 356630826 /nfs/dbraw/zinc/63/08/26/356630826.db2.gz PLRCRSVTTIZWNH-QWRGUYRKSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627349709 356631002 /nfs/dbraw/zinc/63/10/02/356631002.db2.gz WTONFCMSXDFDTO-HOSYDEDBSA-N 2 0 280.372 -0.937 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)C1CC1 ZINC000627365186 356632755 /nfs/dbraw/zinc/63/27/55/356632755.db2.gz IEFJKCVIOKBNEQ-CMPLNLGQSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)CNC(=O)C[NH3+])C1 ZINC000262436579 291113868 /nfs/dbraw/zinc/11/38/68/291113868.db2.gz TYXVWYYYQKTGPF-RYUDHWBXSA-N 2 0 298.431 -0.066 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)[NH+](C)C ZINC000627260508 356616507 /nfs/dbraw/zinc/61/65/07/356616507.db2.gz JSJDWLLVTVFQOS-FRRDWIJNSA-N 2 0 269.389 -0.006 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000627266795 356617935 /nfs/dbraw/zinc/61/79/35/356617935.db2.gz FWXXBHFQLYGCCQ-HZSPNIEDSA-N 2 0 281.400 -0.004 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC000627293630 356620847 /nfs/dbraw/zinc/62/08/47/356620847.db2.gz YJXWTGPYOSRICA-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[N@H+](C)C1CC1 ZINC000627372906 356635282 /nfs/dbraw/zinc/63/52/82/356635282.db2.gz ZUZXZMBYYKIXIR-IJLUTSLNSA-N 2 0 296.415 -0.158 20 0 CBADRP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)C1=CC[N@H+](C)CC1 ZINC000627377150 356635319 /nfs/dbraw/zinc/63/53/19/356635319.db2.gz ZZGOEMNPXCFVLI-GMXVVIOVSA-N 2 0 294.399 -0.380 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[N@H+](C)C1CC1 ZINC000627372905 356635337 /nfs/dbraw/zinc/63/53/37/356635337.db2.gz ZUZXZMBYYKIXIR-GRYCIOLGSA-N 2 0 296.415 -0.158 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000627319388 356625598 /nfs/dbraw/zinc/62/55/98/356625598.db2.gz RHNLKGXZPBFDRD-GXSJLCMTSA-N 2 0 268.361 -0.937 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627321000 356625654 /nfs/dbraw/zinc/62/56/54/356625654.db2.gz ZXBQSPZFIBRNKA-YNEHKIRRSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[NH2+]1 ZINC000627325455 356626524 /nfs/dbraw/zinc/62/65/24/356626524.db2.gz KPLYJAQLZBWJRB-UTUOFQBUSA-N 2 0 294.399 -0.404 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000627325724 356626693 /nfs/dbraw/zinc/62/66/93/356626693.db2.gz SEKWWJCPCCRUOD-OLZOCXBDSA-N 2 0 298.431 -0.101 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627346260 356629939 /nfs/dbraw/zinc/62/99/39/356629939.db2.gz KJCWZUDQZOIOLI-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627423502 356643990 /nfs/dbraw/zinc/64/39/90/356643990.db2.gz OTIPJCWHIVIYNH-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[NH2+]1 ZINC000627425040 356644874 /nfs/dbraw/zinc/64/48/74/356644874.db2.gz CGPOITXTEQMVLZ-ZDEQEGDKSA-N 2 0 296.415 -0.301 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627444300 356647870 /nfs/dbraw/zinc/64/78/70/356647870.db2.gz HHOKSJIQKNFXLK-NSHDSACASA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000627398424 356638673 /nfs/dbraw/zinc/63/86/73/356638673.db2.gz MRSFTPDYVWVCDQ-QNWHQSFQSA-N 2 0 294.399 -0.404 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000627398679 356638890 /nfs/dbraw/zinc/63/88/90/356638890.db2.gz TWANVDXTVMUFGA-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C[NH+]1CCCC1 ZINC000627398536 356639176 /nfs/dbraw/zinc/63/91/76/356639176.db2.gz PLFQPFBCWBCEFX-NWDGAFQWSA-N 2 0 282.388 -0.687 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627504051 356660220 /nfs/dbraw/zinc/66/02/20/356660220.db2.gz RUUCOIJOHTVNJN-NEPJUHHUSA-N 2 0 282.388 -0.594 20 0 CBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627504893 356660397 /nfs/dbraw/zinc/66/03/97/356660397.db2.gz KJGPRMYUNWWKPY-GFCCVEGCSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627506158 356661148 /nfs/dbraw/zinc/66/11/48/356661148.db2.gz BXDFIQMXMBUQNG-GHMZBOCLSA-N 2 0 268.361 -0.935 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)C[NH2+]1 ZINC000627482086 356654574 /nfs/dbraw/zinc/65/45/74/356654574.db2.gz METZRZAINNTXBS-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627484270 356655291 /nfs/dbraw/zinc/65/52/91/356655291.db2.gz VELBKBBGLCUGSA-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)CC[NH+]2CCCC2)C[NH2+]1 ZINC000627484361 356655476 /nfs/dbraw/zinc/65/54/76/356655476.db2.gz WWSBLUBTRFYHRE-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000627499245 356658069 /nfs/dbraw/zinc/65/80/69/356658069.db2.gz DUDSENBYVZSCMG-LOWDOPEQSA-N 2 0 294.399 -0.594 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000627499578 356658225 /nfs/dbraw/zinc/65/82/25/356658225.db2.gz SIVJYNZEBNLBPV-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000627502320 356659400 /nfs/dbraw/zinc/65/94/00/356659400.db2.gz RXDLVGDSVNYBSD-WUHRBBMRSA-N 2 0 296.415 -0.206 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000627503461 356659867 /nfs/dbraw/zinc/65/98/67/356659867.db2.gz NPDIMFTUEFLBOR-QJPTWQEYSA-N 2 0 282.388 -0.594 20 0 CBADRP CCS(=O)(=O)C[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629538164 356777841 /nfs/dbraw/zinc/77/78/41/356777841.db2.gz MTBCMDHZVBSRET-JTQLQIEISA-N 2 0 252.380 -0.235 20 0 CBADRP NC(=O)C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000629545432 356778438 /nfs/dbraw/zinc/77/84/38/356778438.db2.gz MIDTZDUSIWXCFA-FDYHWXHSSA-N 2 0 267.373 -0.049 20 0 CBADRP CNC(=O)NC[C@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000629554154 356778599 /nfs/dbraw/zinc/77/85/99/356778599.db2.gz BHCBWKVBEIGGIG-NEPJUHHUSA-N 2 0 298.387 -0.863 20 0 CBADRP O=C1NCCC[C@@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629559172 356779445 /nfs/dbraw/zinc/77/94/45/356779445.db2.gz CWLXMWJKAKPSOB-VXGBXAGGSA-N 2 0 255.362 -0.441 20 0 CBADRP O=C1CCC(=O)N1CCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629561102 356779526 /nfs/dbraw/zinc/77/95/26/356779526.db2.gz PRUUFFHJTNBSLZ-GFCCVEGCSA-N 2 0 283.372 -0.428 20 0 CBADRP C[NH+](C)CCn1ccc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)n1 ZINC000629167100 356749918 /nfs/dbraw/zinc/74/99/18/356749918.db2.gz OAAAWECOLXPBJQ-GFCCVEGCSA-N 2 0 295.387 -0.759 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000629571790 356780515 /nfs/dbraw/zinc/78/05/15/356780515.db2.gz QRCKSKUZWZOLFY-UHFFFAOYSA-N 2 0 286.376 -0.515 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629570889 356780736 /nfs/dbraw/zinc/78/07/36/356780736.db2.gz DJCSUWOTYOUDHZ-LBPRGKRZSA-N 3 0 257.378 -0.325 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000629567038 356780835 /nfs/dbraw/zinc/78/08/35/356780835.db2.gz MQDSHXPNZSFMPN-QWHCGFSZSA-N 2 0 287.404 -0.162 20 0 CBADRP CCc1nncn1CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629565434 356780871 /nfs/dbraw/zinc/78/08/71/356780871.db2.gz PHPAQYYPOVODLS-LBPRGKRZSA-N 2 0 267.377 -0.113 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629515697 356775799 /nfs/dbraw/zinc/77/57/99/356775799.db2.gz UJOJDUJXWUVCEB-AVGNSLFASA-N 2 0 268.405 -0.086 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000629799491 356795168 /nfs/dbraw/zinc/79/51/68/356795168.db2.gz HNGBRIPIHSNFLM-QWHCGFSZSA-N 2 0 296.415 -0.264 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000629797956 356795542 /nfs/dbraw/zinc/79/55/42/356795542.db2.gz GXJZCILIDCGINO-NWDGAFQWSA-N 2 0 284.404 -0.265 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1[C@@H]2CC[C@H]1C[N@H+](CC)CC2 ZINC000629803602 356796316 /nfs/dbraw/zinc/79/63/16/356796316.db2.gz UMFJLDHOKQFIPI-OLZOCXBDSA-N 2 0 296.415 -0.121 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000629812365 356798268 /nfs/dbraw/zinc/79/82/68/356798268.db2.gz OQGMJJLDUGDURS-LBPRGKRZSA-N 2 0 284.404 -0.537 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000629812621 356798638 /nfs/dbraw/zinc/79/86/38/356798638.db2.gz SHGBDWXKVQXKTG-GFCCVEGCSA-N 2 0 280.372 -0.734 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000629914667 356806500 /nfs/dbraw/zinc/80/65/00/356806500.db2.gz YEEUUPPDYHFLIO-AWEZNQCLSA-N 2 0 298.431 -0.803 20 0 CBADRP C[NH+](C)CCn1ccc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)n1 ZINC000629917784 356809276 /nfs/dbraw/zinc/80/92/76/356809276.db2.gz OAAAWECOLXPBJQ-LBPRGKRZSA-N 2 0 295.387 -0.759 20 0 CBADRP C[N@H+](CC(=O)N1CCN(C(C)(C)C(N)=O)CC1)C1CCC1 ZINC000629966935 356811805 /nfs/dbraw/zinc/81/18/05/356811805.db2.gz DUBCTQUDQZIZGT-UHFFFAOYSA-N 2 0 296.415 -0.121 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC000629960186 356812473 /nfs/dbraw/zinc/81/24/73/356812473.db2.gz YERMVERPGBJTPQ-ZDUSSCGKSA-N 2 0 268.405 -0.167 20 0 CBADRP COC[C@@](C)(O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629579545 356782492 /nfs/dbraw/zinc/78/24/92/356782492.db2.gz GMOVUSSZTVFZHP-STQMWFEESA-N 2 0 260.378 -0.180 20 0 CBADRP O=C1CCC[C@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)N1 ZINC000629579434 356783066 /nfs/dbraw/zinc/78/30/66/356783066.db2.gz NHHVMZYKXJMGMB-VXGBXAGGSA-N 2 0 255.362 -0.299 20 0 CBADRP C[C@@]1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CCC(=O)N1 ZINC000629579501 356783102 /nfs/dbraw/zinc/78/31/02/356783102.db2.gz DWHBZQHRMNUUEQ-YPMHNXCESA-N 2 0 255.362 -0.299 20 0 CBADRP NC(=O)C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000629584461 356783453 /nfs/dbraw/zinc/78/34/53/356783453.db2.gz VCKULBJHMRVJIR-GFCCVEGCSA-N 2 0 255.362 -0.048 20 0 CBADRP O[C@@H](C[NH2+]C[C@@H](O)C1CCOCC1)C[NH+]1CCCC1 ZINC000629584199 356783544 /nfs/dbraw/zinc/78/35/44/356783544.db2.gz RBEOQHRMZTWWQT-UONOGXRCSA-N 2 0 272.389 -0.180 20 0 CBADRP CC[N@H+](CCO)CCNC[C@H](O)C[NH+]1CCCC1 ZINC000629583443 356783723 /nfs/dbraw/zinc/78/37/23/356783723.db2.gz DJDJPOWDSBATOK-ZDUSSCGKSA-N 2 0 259.394 -0.653 20 0 CBADRP CC(C)CC[C@H](CO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000629591575 356783779 /nfs/dbraw/zinc/78/37/79/356783779.db2.gz JWPSVJHVMIKSNU-HUUCEWRRSA-N 2 0 287.448 -0.019 20 0 CBADRP OCC[C@]1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CCOC1 ZINC000629583744 356783904 /nfs/dbraw/zinc/78/39/04/356783904.db2.gz DNUHQFDLDMDPHQ-ZIAGYGMSSA-N 2 0 272.389 -0.178 20 0 CBADRP OCCC[N@@H+]1CCC[C@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629584413 356784118 /nfs/dbraw/zinc/78/41/18/356784118.db2.gz QJERRWPHOFJNQC-LSDHHAIUSA-N 2 0 285.432 -0.121 20 0 CBADRP CC(C)CC[C@@H](CO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000629591576 356784239 /nfs/dbraw/zinc/78/42/39/356784239.db2.gz JWPSVJHVMIKSNU-LSDHHAIUSA-N 2 0 287.448 -0.019 20 0 CBADRP COC[C@]1(C)C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000629595026 356784526 /nfs/dbraw/zinc/78/45/26/356784526.db2.gz INKWFBYDZCYIEG-AWEZNQCLSA-N 2 0 285.388 -0.454 20 0 CBADRP C[N@H+](C[C@@H](O)CNCCC[NH+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000629601246 356784930 /nfs/dbraw/zinc/78/49/30/356784930.db2.gz BESVRHGZYDEKEN-KBPBESRZSA-N 2 0 298.431 -0.629 20 0 CBADRP CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000629595367 356785148 /nfs/dbraw/zinc/78/51/48/356785148.db2.gz NMAYHKQFCKAGLH-NEPJUHHUSA-N 2 0 275.418 -0.143 20 0 CBADRP C[N@H+](C[C@H](O)CNCC[NH+]1CC[C@@H](O)C1)C1CC1 ZINC000629607372 356785891 /nfs/dbraw/zinc/78/58/91/356785891.db2.gz RWEAJSWVRXJDID-CHWSQXEVSA-N 2 0 257.378 -0.902 20 0 CBADRP CO[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)[C@](C)(C[NH3+])C1 ZINC000630358395 356837379 /nfs/dbraw/zinc/83/73/79/356837379.db2.gz AOLDPTANYJDVHP-OBJOEFQTSA-N 2 0 285.388 -0.280 20 0 CBADRP CO[C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)[C@](C)(C[NH3+])C1 ZINC000630365420 356838727 /nfs/dbraw/zinc/83/87/27/356838727.db2.gz HVRABPORTCOKDV-AVGNSLFASA-N 2 0 269.389 -0.055 20 0 CBADRP c1c(CN2CC[NH2+]CC2)nnn1C[C@@H]1CCC[NH2+]1 ZINC000630605106 356854571 /nfs/dbraw/zinc/85/45/71/356854571.db2.gz XBNHWKROQXHJGN-NSHDSACASA-N 2 0 250.350 -0.565 20 0 CBADRP c1c([C@H]2CCC[NH2+]C2)nnn1C[C@H]1C[NH2+]CCO1 ZINC000630616688 356856582 /nfs/dbraw/zinc/85/65/82/356856582.db2.gz MRFIXAIRZBWAGH-WDEREUQCSA-N 2 0 251.334 -0.267 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1CCc2ncnn21 ZINC000631830495 356909626 /nfs/dbraw/zinc/90/96/26/356909626.db2.gz UFKCYRSEXMASNB-LLVKDONJSA-N 2 0 253.350 -0.067 20 0 CBADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841609 356911016 /nfs/dbraw/zinc/91/10/16/356911016.db2.gz NAOOVSVVWTUGME-FDYHWXHSSA-N 2 0 296.415 -0.375 20 0 CBADRP [NH3+][C@@H]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000631900978 356917867 /nfs/dbraw/zinc/91/78/67/356917867.db2.gz NUYDCWZJGXAFRP-LLVKDONJSA-N 2 0 261.391 -0.165 20 0 CBADRP O=S(=O)(CCC[NH+]1CCCC1)N[C@@H]1CC[NH2+]C1 ZINC000631901506 356918354 /nfs/dbraw/zinc/91/83/54/356918354.db2.gz FWQAHTMRJAPAEA-LLVKDONJSA-N 2 0 261.391 -0.246 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000631903504 356919322 /nfs/dbraw/zinc/91/93/22/356919322.db2.gz KYCIZNSFMUBDEL-NSHDSACASA-N 2 0 263.407 -0.143 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000631903503 356919436 /nfs/dbraw/zinc/91/94/36/356919436.db2.gz KYCIZNSFMUBDEL-LLVKDONJSA-N 2 0 263.407 -0.143 20 0 CBADRP C[NH2+]CC1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631904081 356919495 /nfs/dbraw/zinc/91/94/95/356919495.db2.gz CVZXXBBUKDBJFO-LBPRGKRZSA-N 2 0 291.417 -0.764 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631904818 356920282 /nfs/dbraw/zinc/92/02/82/356920282.db2.gz ZNLIXTHNQJJMSE-QWRGUYRKSA-N 2 0 279.406 -0.732 20 0 CBADRP CC(C)[C@H]([NH3+])CNS(=O)(=O)CCC[NH+](C)C ZINC000631905939 356921116 /nfs/dbraw/zinc/92/11/16/356921116.db2.gz YRRZGTAYOJIFAK-SNVBAGLBSA-N 2 0 251.396 -0.159 20 0 CBADRP CN(CC(C)(C)C[NH3+])S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631907374 356921255 /nfs/dbraw/zinc/92/12/55/356921255.db2.gz JPBCPAXFXXCAOA-SNVBAGLBSA-N 2 0 279.406 -0.779 20 0 CBADRP CCC([NH3+])(CC)CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631906076 356921315 /nfs/dbraw/zinc/92/13/15/356921315.db2.gz BTTDEQMXDMFSOC-JTQLQIEISA-N 2 0 279.406 -0.588 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000631930552 356924993 /nfs/dbraw/zinc/92/49/93/356924993.db2.gz OUILXYAGQKIBFS-GHMZBOCLSA-N 2 0 290.433 -0.226 20 0 CBADRP CC1([NH3+])CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631930259 356925231 /nfs/dbraw/zinc/92/52/31/356925231.db2.gz BUWUPLKKNTZHIN-SNVBAGLBSA-N 2 0 277.390 -0.882 20 0 CBADRP [NH3+]C[C@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)C1CCCC1 ZINC000631932413 356926039 /nfs/dbraw/zinc/92/60/39/356926039.db2.gz OPEIDQCXOYMFOJ-NEPJUHHUSA-N 2 0 291.417 -0.588 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)CCC[NH+](C)C)C1 ZINC000631932550 356926351 /nfs/dbraw/zinc/92/63/51/356926351.db2.gz WFAUHTPWQUXWIT-QWRGUYRKSA-N 2 0 263.407 -0.063 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000631934750 356927392 /nfs/dbraw/zinc/92/73/92/356927392.db2.gz JNKBKJFBAPTOOS-NSHDSACASA-N 2 0 263.407 0.000 20 0 CBADRP C[C@H]1[NH2+]CCN(S(=O)(=O)N(C)C2CC[NH2+]CC2)[C@@H]1C ZINC000631935108 356927406 /nfs/dbraw/zinc/92/74/06/356927406.db2.gz DGXNNLODUWPBMJ-GHMZBOCLSA-N 2 0 290.433 -0.403 20 0 CBADRP CN(C1C[NH2+]C1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000631937537 356927955 /nfs/dbraw/zinc/92/79/55/356927955.db2.gz IYKRBGHTEDUSOU-UHFFFAOYSA-N 2 0 261.391 -0.294 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000631938959 356928707 /nfs/dbraw/zinc/92/87/07/356928707.db2.gz PSYDGNQMSBOMLJ-RYUDHWBXSA-N 2 0 275.418 -0.048 20 0 CBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@H]1CC12CC[NH2+]CC2 ZINC000631939392 356928738 /nfs/dbraw/zinc/92/87/38/356928738.db2.gz ZEBFUYNNEZXYDC-MNOVXSKESA-N 2 0 289.401 -0.964 20 0 CBADRP CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)CCC[NH+](C)C ZINC000631939322 356928802 /nfs/dbraw/zinc/92/88/02/356928802.db2.gz XMPILOOGOPRGMC-NSHDSACASA-N 2 0 263.407 -0.063 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000631942171 356929826 /nfs/dbraw/zinc/92/98/26/356929826.db2.gz QWKHULUFFQCRIL-GHMZBOCLSA-N 2 0 263.407 -0.015 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N[C@H](CC[NH3+])C(F)F ZINC000631942975 356930273 /nfs/dbraw/zinc/93/02/73/356930273.db2.gz KCXAGAOBKDYUOM-MRVPVSSYSA-N 2 0 273.349 -0.160 20 0 CBADRP C[C@@H]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000631944113 356930310 /nfs/dbraw/zinc/93/03/10/356930310.db2.gz ONRUUBHEKHFNKQ-UTUOFQBUSA-N 2 0 291.417 -0.779 20 0 CBADRP C[NH2+]CCCN(C)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631945003 356930652 /nfs/dbraw/zinc/93/06/52/356930652.db2.gz MVEFQSAZZFSEMD-UHFFFAOYSA-N 2 0 278.422 -0.544 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NC(C)(C)CC[NH3+] ZINC000631945974 356931311 /nfs/dbraw/zinc/93/13/11/356931311.db2.gz OMHAJTVHKSKFQR-UHFFFAOYSA-N 2 0 251.396 -0.015 20 0 CBADRP C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)CCC[NH+](C)C ZINC000631946975 356931509 /nfs/dbraw/zinc/93/15/09/356931509.db2.gz PRYLMOGLUIPSMZ-ZJUUUORDSA-N 2 0 251.396 -0.017 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC2(CC[NH2+]2)CC1 ZINC000631946365 356931579 /nfs/dbraw/zinc/93/15/79/356931579.db2.gz YUUKMRAWSYKQOE-NSHDSACASA-N 2 0 289.401 -0.868 20 0 CBADRP [NH3+]CC1(CCNS(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631948152 356931631 /nfs/dbraw/zinc/93/16/31/356931631.db2.gz XVZJNKDPYLSLHJ-SNVBAGLBSA-N 2 0 277.390 -0.977 20 0 CBADRP C[NH2+]C[C@@H](C)NS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631952618 356933215 /nfs/dbraw/zinc/93/32/15/356933215.db2.gz NXZZTLJSANDHQC-LLVKDONJSA-N 2 0 263.407 0.000 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000631954316 356934313 /nfs/dbraw/zinc/93/43/13/356934313.db2.gz HYTSWGZMSOIJIM-UHFFFAOYSA-N 2 0 279.406 -0.635 20 0 CBADRP C[C@H]1CC[C@H](NS(=O)(=O)CCC[NH+](C)C)C[NH2+]1 ZINC000631955243 356935120 /nfs/dbraw/zinc/93/51/20/356935120.db2.gz GYPMEDPZUPGPDH-QWRGUYRKSA-N 2 0 263.407 -0.002 20 0 CBADRP [NH3+][C@@H]1CCCCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631962178 356935788 /nfs/dbraw/zinc/93/57/88/356935788.db2.gz DZCFCJXVKXIRBC-NEPJUHHUSA-N 2 0 291.417 -0.492 20 0 CBADRP [NH3+][C@H]1CCCCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631962181 356936070 /nfs/dbraw/zinc/93/60/70/356936070.db2.gz DZCFCJXVKXIRBC-RYUDHWBXSA-N 2 0 291.417 -0.492 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631974746 356938218 /nfs/dbraw/zinc/93/82/18/356938218.db2.gz ZBHZNXXOFPRLGE-UWVGGRQHSA-N 2 0 276.406 -0.664 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631981355 356938773 /nfs/dbraw/zinc/93/87/73/356938773.db2.gz QXESTTACNMFORR-WOPDTQHZSA-N 2 0 289.401 -0.964 20 0 CBADRP C[C@@H](C[NH+](C)C)NS(=O)(=O)CC1(N(C)C)CC1 ZINC000632336452 356974067 /nfs/dbraw/zinc/97/40/67/356974067.db2.gz AMNQRJYBSRUJHG-JTQLQIEISA-N 2 0 263.407 -0.050 20 0 CBADRP CC[NH+](CC)CCS(=O)(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000632350060 356975589 /nfs/dbraw/zinc/97/55/89/356975589.db2.gz UKBJLJZXBXHBMA-RYUDHWBXSA-N 2 0 293.433 -0.735 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000632360180 356977301 /nfs/dbraw/zinc/97/73/01/356977301.db2.gz RYCUXWMWHPWUEI-VXGBXAGGSA-N 2 0 275.418 -0.096 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000632513235 356997904 /nfs/dbraw/zinc/99/79/04/356997904.db2.gz SUTYEAGIZNJOAO-UHFFFAOYSA-N 2 0 297.403 -0.511 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633080352 357040955 /nfs/dbraw/zinc/04/09/55/357040955.db2.gz OLKMLJWXSRYUMA-AVGNSLFASA-N 2 0 294.399 -0.641 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633100835 357045515 /nfs/dbraw/zinc/04/55/15/357045515.db2.gz XCTRLBKCPPUVIH-AGIUHOORSA-N 2 0 294.399 -0.641 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633107371 357047085 /nfs/dbraw/zinc/04/70/85/357047085.db2.gz PTPVMSPJROTZRH-SRVKXCTJSA-N 2 0 280.372 -0.888 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000633114942 357048624 /nfs/dbraw/zinc/04/86/24/357048624.db2.gz FAJILERLCDINRI-AGIUHOORSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000633116244 357049534 /nfs/dbraw/zinc/04/95/34/357049534.db2.gz QSVZJZCMFGNZCY-GHMZBOCLSA-N 2 0 270.377 -0.655 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000633117207 357050152 /nfs/dbraw/zinc/05/01/52/357050152.db2.gz AWHNWZOSWYDVAO-QWRGUYRKSA-N 2 0 282.388 -0.513 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000633117997 357050178 /nfs/dbraw/zinc/05/01/78/357050178.db2.gz HEBFYGFMVRZXEQ-NOOOWODRSA-N 2 0 280.372 -0.903 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000633120855 357050743 /nfs/dbraw/zinc/05/07/43/357050743.db2.gz VEWCJGAKHFHNBP-QWHCGFSZSA-N 2 0 296.415 -0.121 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)C1 ZINC000633150580 357052941 /nfs/dbraw/zinc/05/29/41/357052941.db2.gz ZWRAWSADCBQMAP-AVGNSLFASA-N 2 0 296.415 -0.265 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cn1 ZINC000633151578 357053556 /nfs/dbraw/zinc/05/35/56/357053556.db2.gz TVHICZYIYRPHGU-STQMWFEESA-N 2 0 295.387 -0.808 20 0 CBADRP COC1(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC[NH2+]CC1 ZINC000634275977 357114680 /nfs/dbraw/zinc/11/46/80/357114680.db2.gz RMBIGZFGTFVGST-WDEREUQCSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)[NH+](C)C)[NH+](C)C ZINC000634251353 357111006 /nfs/dbraw/zinc/11/10/06/357111006.db2.gz IUJNVFYPEYPAGN-CYDGBPFRSA-N 2 0 296.415 -0.302 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)NC[C@H]1CCCC[NH2+]1 ZINC000634269099 357113214 /nfs/dbraw/zinc/11/32/14/357113214.db2.gz FAYLULBJWGYWRC-GFCCVEGCSA-N 2 0 269.393 -0.667 20 0 CBADRP O=C(NC[C@H]1CCCC[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000634270772 357114025 /nfs/dbraw/zinc/11/40/25/357114025.db2.gz PPNMGLQVPJTQLG-KGLIPLIRSA-N 2 0 295.431 -0.182 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cn(CCC[NH3+])nn1)C2 ZINC000634742146 357132061 /nfs/dbraw/zinc/13/20/61/357132061.db2.gz BHFBYILRYKVFIQ-OKILXGFUSA-N 2 0 292.387 -0.302 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000634744240 357132537 /nfs/dbraw/zinc/13/25/37/357132537.db2.gz SAQUVJPSPBNFEF-OXHZDVMGSA-N 2 0 267.373 -0.179 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634769598 357135212 /nfs/dbraw/zinc/13/52/12/357135212.db2.gz HCDVCSGINPQWJA-WZRBSPASSA-N 2 0 254.378 -0.476 20 0 CBADRP CNS(=O)(=O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635005880 357142886 /nfs/dbraw/zinc/14/28/86/357142886.db2.gz KXKGGGPSUIYMRX-ZACCUICWSA-N 2 0 261.391 -0.202 20 0 CBADRP C[C@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[NH+](C)C ZINC000635472648 357166844 /nfs/dbraw/zinc/16/68/44/357166844.db2.gz GJTNZOIVKWWAOR-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP COC1(C(=O)N(C)[C@H](C[NH3+])C2CC2)CC[NH2+]CC1 ZINC000634291286 357115460 /nfs/dbraw/zinc/11/54/60/357115460.db2.gz HZFSLFAJTMWJIN-LLVKDONJSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000635801561 357209946 /nfs/dbraw/zinc/20/99/46/357209946.db2.gz KEYAPKNKDJYWDZ-CYBMUJFWSA-N 2 0 255.362 -0.489 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC000635809480 357210928 /nfs/dbraw/zinc/21/09/28/357210928.db2.gz ISKZSPIZYATLKN-UHFFFAOYSA-N 2 0 257.378 -0.241 20 0 CBADRP C[C@H](C(=O)NCCC[N@H+](C)CCN(C)C)[NH+](C)C ZINC000635934372 357236105 /nfs/dbraw/zinc/23/61/05/357236105.db2.gz PLJPIXGZSXXHAL-GFCCVEGCSA-N 2 0 258.410 -0.064 20 0 CBADRP C[C@H](C(=O)N[C@]1(C)CCN(C(=O)[C@@H](C)[NH+](C)C)C1)[NH+](C)C ZINC000635942999 357237192 /nfs/dbraw/zinc/23/71/92/357237192.db2.gz JLJBPOIVKREEQA-LALPHHSUSA-N 2 0 298.431 -0.006 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635546998 357174687 /nfs/dbraw/zinc/17/46/87/357174687.db2.gz DNXRJGNFIWJFIL-STQMWFEESA-N 2 0 268.405 -0.310 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC000635548428 357175064 /nfs/dbraw/zinc/17/50/64/357175064.db2.gz QXTCKDJEMWISMW-GFCCVEGCSA-N 2 0 268.405 -0.310 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000636581250 357290114 /nfs/dbraw/zinc/29/01/14/357290114.db2.gz XBNPICRBJDGWTR-TZMCWYRMSA-N 2 0 296.415 -0.164 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000636578683 357290583 /nfs/dbraw/zinc/29/05/83/357290583.db2.gz NLODGZOFCIYYIA-HZSPNIEDSA-N 2 0 296.415 -0.021 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000636791359 357303749 /nfs/dbraw/zinc/30/37/49/357303749.db2.gz VUDAUNYHKSBUSX-AAEUAGOBSA-N 2 0 282.388 -0.411 20 0 CBADRP C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)[NH+](C)C ZINC000635976764 357243554 /nfs/dbraw/zinc/24/35/54/357243554.db2.gz MVSKBAWZZRDCGE-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[NH+](C)C ZINC000636119316 357264498 /nfs/dbraw/zinc/26/44/98/357264498.db2.gz JCRVBOHJLSOQRV-LLVKDONJSA-N 2 0 270.377 -0.831 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000636140947 357267485 /nfs/dbraw/zinc/26/74/85/357267485.db2.gz RTGLCSJSMWNFSQ-XQQFMLRXSA-N 2 0 267.373 -0.252 20 0 CBADRP C[C@H](C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[NH+](C)C ZINC000636229725 357272460 /nfs/dbraw/zinc/27/24/60/357272460.db2.gz PGQSSNRMDSLEIF-DGCLKSJQSA-N 2 0 269.389 -0.006 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000637813904 357369524 /nfs/dbraw/zinc/36/95/24/357369524.db2.gz TWFLEAAWTYHLLR-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000637821518 357370312 /nfs/dbraw/zinc/37/03/12/357370312.db2.gz SMQXCWGMLVIAET-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000637825682 357371442 /nfs/dbraw/zinc/37/14/42/357371442.db2.gz YXRBHNSIXMKJNG-JTQLQIEISA-N 2 0 253.350 -0.088 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000637822903 357371472 /nfs/dbraw/zinc/37/14/72/357371472.db2.gz OCKITUUFQMBBSW-YPMHNXCESA-N 2 0 255.362 -0.048 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000637832536 357372254 /nfs/dbraw/zinc/37/22/54/357372254.db2.gz IJIZBYMEFMIMFD-YNEHKIRRSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000637835424 357373507 /nfs/dbraw/zinc/37/35/07/357373507.db2.gz PFTZQBUGLKSAEH-ZDUSSCGKSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000637834569 357373716 /nfs/dbraw/zinc/37/37/16/357373716.db2.gz FDWBWFCYNZNJPN-DGCLKSJQSA-N 2 0 255.362 -0.190 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000637837113 357373779 /nfs/dbraw/zinc/37/37/79/357373779.db2.gz CGHHRWWQPSTKIL-ZDUSSCGKSA-N 2 0 287.404 -0.208 20 0 CBADRP C[NH2+]C[C@H]1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000637834571 357373792 /nfs/dbraw/zinc/37/37/92/357373792.db2.gz FDWBWFCYNZNJPN-YPMHNXCESA-N 2 0 255.362 -0.190 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000637835061 357373948 /nfs/dbraw/zinc/37/39/48/357373948.db2.gz JPCJVVWYSCISDQ-UONOGXRCSA-N 2 0 296.415 -0.787 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000637834297 357374215 /nfs/dbraw/zinc/37/42/15/357374215.db2.gz BMNGHPGRKOXIQS-CYBMUJFWSA-N 2 0 268.405 -0.308 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC000637840978 357374852 /nfs/dbraw/zinc/37/48/52/357374852.db2.gz QMXSDGPECLPJNH-NOHGZBONSA-N 2 0 255.362 -0.038 20 0 CBADRP CN(C(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1CC[NH2+]C1 ZINC000637837329 357374912 /nfs/dbraw/zinc/37/49/12/357374912.db2.gz DIBHPZLUNYKSQP-WOPDTQHZSA-N 2 0 253.346 -0.330 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000637847064 357376034 /nfs/dbraw/zinc/37/60/34/357376034.db2.gz FZXGOVSJXBFRNN-RYUDHWBXSA-N 2 0 254.378 -0.523 20 0 CBADRP COC[C@@]1(CNC(=O)NCC[NH2+]C2CC2)CCC[NH2+]1 ZINC000637339588 357339427 /nfs/dbraw/zinc/33/94/27/357339427.db2.gz KEPDWAUFDXWVNX-ZDUSSCGKSA-N 2 0 270.377 -0.194 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000637847062 357376185 /nfs/dbraw/zinc/37/61/85/357376185.db2.gz FZXGOVSJXBFRNN-NEPJUHHUSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]CCO1 ZINC000637858941 357377255 /nfs/dbraw/zinc/37/72/55/357377255.db2.gz FKJCGENOZHQIRX-NTZNESFSSA-N 2 0 253.346 -0.282 20 0 CBADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCCC[NH3+] ZINC000637801604 357366793 /nfs/dbraw/zinc/36/67/93/357366793.db2.gz HUGPPDFRSXAEJD-ZDUSSCGKSA-N 2 0 264.373 -0.089 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N1CCC[NH2+]CC1 ZINC000637804070 357366851 /nfs/dbraw/zinc/36/68/51/357366851.db2.gz UMGIWIAIAPNKHC-UHFFFAOYSA-N 2 0 287.404 -0.207 20 0 CBADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000637804941 357366915 /nfs/dbraw/zinc/36/69/15/357366915.db2.gz UKECHWKWHGJFDS-GMXVVIOVSA-N 2 0 279.340 -0.073 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)[C@@]2(COC)CCCC[NH2+]2)C1 ZINC000637802525 357367069 /nfs/dbraw/zinc/36/70/69/357367069.db2.gz SEXQKXSAUFRLJB-AAEUAGOBSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[NH2+]C2)cn1 ZINC000637811370 357368921 /nfs/dbraw/zinc/36/89/21/357368921.db2.gz KETVKSGJFJKMIF-NSHDSACASA-N 2 0 251.334 -0.464 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000638235497 357440910 /nfs/dbraw/zinc/44/09/10/357440910.db2.gz WSFHZYJCPKUBQB-AWEZNQCLSA-N 2 0 266.389 -0.506 20 0 CBADRP C[C@@]1(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C[NH2+]CCO1 ZINC000638235820 357441164 /nfs/dbraw/zinc/44/11/64/357441164.db2.gz ZXHVHPRLXONHLF-UONOGXRCSA-N 2 0 267.373 -0.033 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000638248416 357444200 /nfs/dbraw/zinc/44/42/00/357444200.db2.gz SHMZKCXWUHJNGN-NWDGAFQWSA-N 2 0 252.362 -0.898 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000638236952 357441514 /nfs/dbraw/zinc/44/15/14/357441514.db2.gz MLJKWYKRVXYRAE-STQMWFEESA-N 2 0 287.404 -0.081 20 0 CBADRP C[C@@]1(C(=O)NCC[NH+]2CCCCC2)C[NH2+]CCO1 ZINC000638055613 357405869 /nfs/dbraw/zinc/40/58/69/357405869.db2.gz GWFRESYLXUNEGA-ZDUSSCGKSA-N 2 0 255.362 -0.033 20 0 CBADRP C[C@]1(C(=O)NCCC[NH+]2CCCC2)C[NH2+]CCO1 ZINC000638054366 357406191 /nfs/dbraw/zinc/40/61/91/357406191.db2.gz PHEYWQGFBNOYBI-CYBMUJFWSA-N 2 0 255.362 -0.033 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C[C@@H](C)O1 ZINC000638060725 357407785 /nfs/dbraw/zinc/40/77/85/357407785.db2.gz PPIZMTZYLKORQI-FVCCEPFGSA-N 2 0 285.388 -0.282 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC000638069932 357409421 /nfs/dbraw/zinc/40/94/21/357409421.db2.gz NQAPPOGIBBNRBX-ZFWWWQNUSA-N 2 0 299.415 -0.284 20 0 CBADRP C[C@@]1(C(=O)NCCC[NH+]2CCC(O)CC2)C[NH2+]CCO1 ZINC000638070969 357410065 /nfs/dbraw/zinc/41/00/65/357410065.db2.gz YZMYPVAOWCKEPS-AWEZNQCLSA-N 2 0 285.388 -0.672 20 0 CBADRP [NH3+]C[C@]1(C(=O)NCCC[NH+]2CCC(O)CC2)CCCOC1 ZINC000638070211 357410201 /nfs/dbraw/zinc/41/02/01/357410201.db2.gz PDCLIERZIDAXBS-OAHLLOKOSA-N 2 0 299.415 -0.295 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638075343 357410473 /nfs/dbraw/zinc/41/04/73/357410473.db2.gz DZVQYMCNSKBVST-YPMHNXCESA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000638075062 357410992 /nfs/dbraw/zinc/41/09/92/357410992.db2.gz PXNIGZKOAXXJLP-KKOKHZNYSA-N 2 0 253.346 -0.154 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])C[NH+]1CCCC1 ZINC000638074624 357411172 /nfs/dbraw/zinc/41/11/72/357411172.db2.gz NIKKQPXZHZUBEY-SDDRHHMPSA-N 2 0 255.362 -0.049 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638078159 357412392 /nfs/dbraw/zinc/41/23/92/357412392.db2.gz DVIORVTYXGBYBQ-ZFWWWQNUSA-N 2 0 299.415 -0.020 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000638081634 357412630 /nfs/dbraw/zinc/41/26/30/357412630.db2.gz BAKIKJAWVDGFBC-WCQYABFASA-N 2 0 255.362 -0.036 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638078212 357412647 /nfs/dbraw/zinc/41/26/47/357412647.db2.gz FPYJMAYEVVNVQS-AWEZNQCLSA-N 2 0 285.388 -0.408 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000638078183 357412666 /nfs/dbraw/zinc/41/26/66/357412666.db2.gz FAZCUKMSJPWKDX-MDZLAQPJSA-N 2 0 255.362 -0.036 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638090924 357414456 /nfs/dbraw/zinc/41/44/56/357414456.db2.gz IWSNMZIWECFPPD-DGCLKSJQSA-N 2 0 273.377 -0.552 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000638090470 357414753 /nfs/dbraw/zinc/41/47/53/357414753.db2.gz XLKQVVWLDAVESF-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000638098185 357415884 /nfs/dbraw/zinc/41/58/84/357415884.db2.gz KJJUCSPVUWJTAL-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638100537 357416696 /nfs/dbraw/zinc/41/66/96/357416696.db2.gz PZIWTPKTVOTGDF-IPYPFGDCSA-N 2 0 299.415 -0.020 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000638117948 357420611 /nfs/dbraw/zinc/42/06/11/357420611.db2.gz PWMSOTZDJCTPIX-KBPBESRZSA-N 2 0 298.431 -0.493 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC000638112853 357421010 /nfs/dbraw/zinc/42/10/10/357421010.db2.gz VWBWPHWSOAVWTQ-AWEZNQCLSA-N 2 0 282.432 -0.014 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638121670 357421353 /nfs/dbraw/zinc/42/13/53/357421353.db2.gz HTMQVSAQRRQJOM-JSGCOSHPSA-N 2 0 287.404 -0.162 20 0 CBADRP C[C@@H]1C[C@@H](N(C)C(=O)CN2CC[NH2+]CC2)CC[N@@H+]1C ZINC000638124313 357421811 /nfs/dbraw/zinc/42/18/11/357421811.db2.gz SKXFZUJCGTWOOW-OLZOCXBDSA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)CN2CC[NH2+]CC2)C1 ZINC000638124635 357421977 /nfs/dbraw/zinc/42/19/77/357421977.db2.gz BOGJFTVXTYIWGV-GFCCVEGCSA-N 2 0 254.378 -0.650 20 0 CBADRP C[C@]1(C(=O)N2CC[NH+](C3CCOCC3)CC2)C[NH2+]CCO1 ZINC000638122298 357422210 /nfs/dbraw/zinc/42/22/10/357422210.db2.gz OTCWBIUTWMHNJI-OAHLLOKOSA-N 2 0 297.399 -0.312 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638129504 357422738 /nfs/dbraw/zinc/42/27/38/357422738.db2.gz AIBJXURHHYGWKQ-SDDRHHMPSA-N 2 0 273.377 -0.424 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C[N@@H+]1C1CC1 ZINC000638132248 357422841 /nfs/dbraw/zinc/42/28/41/357422841.db2.gz FXJJJCRNRYZQBD-BSJXLVFVSA-N 2 0 253.346 -0.156 20 0 CBADRP C[C@H](NC(=O)CN1CC[NH2+]CC1)C(C)(C)C[NH+](C)C ZINC000638126426 357422986 /nfs/dbraw/zinc/42/29/86/357422986.db2.gz MSTZCUJRVZKODC-LBPRGKRZSA-N 2 0 270.421 -0.016 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638137787 357423565 /nfs/dbraw/zinc/42/35/65/357423565.db2.gz NMIMBRACLBGVRZ-ZFWWWQNUSA-N 2 0 298.431 -0.493 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638138015 357423712 /nfs/dbraw/zinc/42/37/12/357423712.db2.gz SYAWTJXAMNBLQL-CYBMUJFWSA-N 2 0 266.389 -0.212 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000638132937 357423947 /nfs/dbraw/zinc/42/39/47/357423947.db2.gz XVMGHGPUQXRJNK-CYBMUJFWSA-N 2 0 268.405 -0.308 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000638133748 357424291 /nfs/dbraw/zinc/42/42/91/357424291.db2.gz MFPMGHWQTKGLHW-CQSZACIVSA-N 2 0 296.415 -0.928 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638136804 357424337 /nfs/dbraw/zinc/42/43/37/357424337.db2.gz BIOPHXCIWSNQNH-CQSZACIVSA-N 2 0 284.404 -0.881 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCCN2CC[NH+](C)CC2)C1 ZINC000638137258 357424461 /nfs/dbraw/zinc/42/44/61/357424461.db2.gz SKYPZQKZDWDHPJ-UKRRQHHQSA-N 2 0 298.431 -0.493 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638136802 357424504 /nfs/dbraw/zinc/42/45/04/357424504.db2.gz BIOPHXCIWSNQNH-AWEZNQCLSA-N 2 0 284.404 -0.881 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000638141432 357425052 /nfs/dbraw/zinc/42/50/52/357425052.db2.gz UKCFQNLKAZEZFE-STQMWFEESA-N 2 0 268.405 -0.038 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CCCC[NH2+]1 ZINC000638138414 357425244 /nfs/dbraw/zinc/42/52/44/357425244.db2.gz ARAMFOZPGSSLMT-DZGCQCFKSA-N 2 0 298.431 -0.493 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000638138136 357425331 /nfs/dbraw/zinc/42/53/31/357425331.db2.gz WFLIMUFVEOLLJY-STQMWFEESA-N 2 0 270.421 -0.016 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638139022 357425508 /nfs/dbraw/zinc/42/55/08/357425508.db2.gz AVSCMOMTHISHMQ-OCCSQVGLSA-N 2 0 284.404 -0.883 20 0 CBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638145847 357425856 /nfs/dbraw/zinc/42/58/56/357425856.db2.gz OGWNSUNLXPSQOJ-NTZNESFSSA-N 2 0 255.362 -0.062 20 0 CBADRP [NH3+][C@H]1CCc2ncc(NC(=O)CN3CC[NH2+]CC3)cc2C1 ZINC000638151829 357426620 /nfs/dbraw/zinc/42/66/20/357426620.db2.gz BHLBYIIRPKQKJB-LBPRGKRZSA-N 2 0 289.383 -0.259 20 0 CBADRP [NH3+][C@H](CNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC000638154820 357427220 /nfs/dbraw/zinc/42/72/20/357427220.db2.gz RHSWJNNTIWQZTI-TUAOUCFPSA-N 2 0 253.346 -0.297 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638152971 357427269 /nfs/dbraw/zinc/42/72/69/357427269.db2.gz IDDFXASMNPQNRV-JQWIXIFHSA-N 2 0 259.350 -0.894 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638153034 357427277 /nfs/dbraw/zinc/42/72/77/357427277.db2.gz NFTKGADCRKUXDO-LBPRGKRZSA-N 2 0 259.350 -0.906 20 0 CBADRP [NH3+][C@H](CNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000638154818 357427502 /nfs/dbraw/zinc/42/75/02/357427502.db2.gz RHSWJNNTIWQZTI-IJLUTSLNSA-N 2 0 253.346 -0.297 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638158606 357427919 /nfs/dbraw/zinc/42/79/19/357427919.db2.gz RBXVBSKWLXEQMP-DMDPSCGWSA-N 2 0 255.362 -0.062 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@H]21 ZINC000638164981 357429064 /nfs/dbraw/zinc/42/90/64/357429064.db2.gz LBSAHBXVWJRKOP-JHJVBQTASA-N 2 0 266.389 -0.523 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H]2CC[NH2+]C2)CCCC[NH2+]1 ZINC000638164024 357429414 /nfs/dbraw/zinc/42/94/14/357429414.db2.gz FYHKUOBALNBVQO-WCQYABFASA-N 2 0 255.362 -0.129 20 0 CBADRP COC[C@]1(C(=O)N2CCO[C@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000638173122 357431381 /nfs/dbraw/zinc/43/13/81/357431381.db2.gz SYIHSGCIYQZEPL-YPMHNXCESA-N 2 0 271.361 -0.669 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000638197838 357433525 /nfs/dbraw/zinc/43/35/25/357433525.db2.gz DNNINAOGZOKZIM-MNXVOIDGSA-N 2 0 267.373 -0.036 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000638202674 357433757 /nfs/dbraw/zinc/43/37/57/357433757.db2.gz VXIRZVNYHBPMNQ-UHFFFAOYSA-N 2 0 280.416 -0.116 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C[NH2+]CCO1 ZINC000638199305 357434619 /nfs/dbraw/zinc/43/46/19/357434619.db2.gz COXADPOGIZKQGV-GMXVVIOVSA-N 2 0 253.346 -0.425 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000638210071 357435506 /nfs/dbraw/zinc/43/55/06/357435506.db2.gz MMFLKBZUYQOPEJ-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000638220768 357435959 /nfs/dbraw/zinc/43/59/59/357435959.db2.gz SFAFEQZTAKNCEV-DRZSPHRISA-N 2 0 255.362 -0.049 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000638219259 357436097 /nfs/dbraw/zinc/43/60/97/357436097.db2.gz JHKFEMBJXUHTNK-UWVGGRQHSA-N 2 0 296.337 -0.063 20 0 CBADRP [NH3+]C[C@@]1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CCCOC1 ZINC000638248280 357443699 /nfs/dbraw/zinc/44/36/99/357443699.db2.gz NTMRDUSRVRCCCX-NHCYSSNCSA-N 2 0 259.325 -0.442 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)CC1 ZINC000638226362 357436774 /nfs/dbraw/zinc/43/67/74/357436774.db2.gz HSFWKNLGHPAPGU-RYUDHWBXSA-N 2 0 267.373 -0.083 20 0 CBADRP COCC1(CNC(=O)[C@@]2(C[NH3+])CCCOC2)CC[NH2+]CC1 ZINC000638224230 357436965 /nfs/dbraw/zinc/43/69/65/357436965.db2.gz GOXULTIDTDQKSJ-OAHLLOKOSA-N 2 0 299.415 -0.126 20 0 CBADRP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638226177 357437720 /nfs/dbraw/zinc/43/77/20/357437720.db2.gz LAEIFZQRSFVMOC-WYUUTHIRSA-N 2 0 252.362 -0.025 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)CC1 ZINC000638226364 357437787 /nfs/dbraw/zinc/43/77/87/357437787.db2.gz HSFWKNLGHPAPGU-VXGBXAGGSA-N 2 0 267.373 -0.083 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1)[NH+](C)C ZINC000638227495 357437974 /nfs/dbraw/zinc/43/79/74/357437974.db2.gz APHLKLLYMFYQKJ-QJPTWQEYSA-N 2 0 255.362 -0.084 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000638228215 357438345 /nfs/dbraw/zinc/43/83/45/357438345.db2.gz DXZLZMHHAIZEQN-IPYPFGDCSA-N 2 0 296.415 -0.741 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000638228216 357438745 /nfs/dbraw/zinc/43/87/45/357438745.db2.gz DXZLZMHHAIZEQN-KCQAQPDRSA-N 2 0 296.415 -0.741 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000638228652 357439080 /nfs/dbraw/zinc/43/90/80/357439080.db2.gz IQOJSIAUTBKKPW-RYUDHWBXSA-N 2 0 254.378 -0.510 20 0 CBADRP COC[C@@]1(CNC(=O)[C@]2(C[NH3+])CCCOC2)CCC[NH2+]1 ZINC000638232393 357440013 /nfs/dbraw/zinc/44/00/13/357440013.db2.gz SCVKQHMHDYQUFV-KBPBESRZSA-N 2 0 285.388 -0.373 20 0 CBADRP CN1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C[NH3+])C1 ZINC000637866349 357379486 /nfs/dbraw/zinc/37/94/86/357379486.db2.gz KXRNSONKKJYAQN-VXGBXAGGSA-N 2 0 254.378 -0.571 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CCO1 ZINC000637865461 357379511 /nfs/dbraw/zinc/37/95/11/357379511.db2.gz FNTXYYGJOBIDRO-DGCLKSJQSA-N 2 0 295.387 -0.367 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000637867942 357380324 /nfs/dbraw/zinc/38/03/24/357380324.db2.gz VQNDOCRFNWUQOY-BLFANLJRSA-N 2 0 271.361 -0.672 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638573603 357496548 /nfs/dbraw/zinc/49/65/48/357496548.db2.gz FTHGZPKLXSRNSX-KQXIARHKSA-N 2 0 253.346 -0.521 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000638579165 357497850 /nfs/dbraw/zinc/49/78/50/357497850.db2.gz MWAJCBCDMBAVCL-VIFPVBQESA-N 2 0 265.304 -0.417 20 0 CBADRP C[NH2+]CCOCCNC(=O)C1(COC)CC[NH2+]CC1 ZINC000638579650 357498113 /nfs/dbraw/zinc/49/81/13/357498113.db2.gz UDZGCOMQKCPMCT-UHFFFAOYSA-N 2 0 273.377 -0.645 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000638586509 357498604 /nfs/dbraw/zinc/49/86/04/357498604.db2.gz RSSYYRKFPPJRQG-GFCCVEGCSA-N 2 0 273.377 -0.551 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000638585155 357498958 /nfs/dbraw/zinc/49/89/58/357498958.db2.gz UMVWDPWEJOWXDO-CYBMUJFWSA-N 2 0 265.357 -0.091 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)COC1CC[NH2+]CC1 ZINC000638593809 357499473 /nfs/dbraw/zinc/49/94/73/357499473.db2.gz WKYWKBQIBCYBJE-UHFFFAOYSA-N 2 0 273.377 -0.551 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000638601896 357500127 /nfs/dbraw/zinc/50/01/27/357500127.db2.gz IVZAEYONSSXXIG-UHFFFAOYSA-N 2 0 299.415 -0.064 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638594968 357500282 /nfs/dbraw/zinc/50/02/82/357500282.db2.gz WOHYFCYRDPJOSI-LBPRGKRZSA-N 2 0 259.350 -0.941 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000638602228 357500502 /nfs/dbraw/zinc/50/05/02/357500502.db2.gz LZHGIXCULSVSBN-ZDUSSCGKSA-N 2 0 297.399 -0.312 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638612789 357505487 /nfs/dbraw/zinc/50/54/87/357505487.db2.gz DZJYQKGRHVQTLZ-WPRPVWTQSA-N 2 0 281.278 -0.367 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1COCC[NH2+]1 ZINC000638615557 357506506 /nfs/dbraw/zinc/50/65/06/357506506.db2.gz FHHSVOTYSPUBJD-VHSXEESVSA-N 2 0 259.375 -0.814 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000638614856 357506513 /nfs/dbraw/zinc/50/65/13/357506513.db2.gz YTMSQAJYAKKCHF-WOPDTQHZSA-N 2 0 253.346 -0.378 20 0 CBADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638615858 357508043 /nfs/dbraw/zinc/50/80/43/357508043.db2.gz IWVVVQYUTJZLKX-LOWVWBTDSA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000638616139 357508119 /nfs/dbraw/zinc/50/81/19/357508119.db2.gz MSMQNIGQKWRFPM-RWMBFGLXSA-N 2 0 267.373 -0.273 20 0 CBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H]2COCC[NH2+]2)C1(C)C ZINC000638616235 357508295 /nfs/dbraw/zinc/50/82/95/357508295.db2.gz PAUIYRRZAKCING-GYSYKLTISA-N 2 0 285.388 -0.377 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CCCC[NH2+]1 ZINC000638249347 357444556 /nfs/dbraw/zinc/44/45/56/357444556.db2.gz XDUGQCADVARTSY-GVXVVHGQSA-N 2 0 273.352 -0.039 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2C[NH2+]CCCO2)cn1 ZINC000638267911 357445722 /nfs/dbraw/zinc/44/57/22/357445722.db2.gz WHKYZDXZLLPUEX-ZDUSSCGKSA-N 2 0 295.387 -0.447 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CC[NH2+]CC2)C1 ZINC000638287097 357451464 /nfs/dbraw/zinc/45/14/64/357451464.db2.gz UAVJRYWGIUMBRG-KGLIPLIRSA-N 2 0 280.416 -0.166 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CC[NH2+]CC3)[C@H]2C1 ZINC000638312406 357454790 /nfs/dbraw/zinc/45/47/90/357454790.db2.gz FTHAMKOWSCOHSN-OLZOCXBDSA-N 2 0 266.389 -0.556 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C12CCC[NH+](CCC1)C2 ZINC000638337374 357459089 /nfs/dbraw/zinc/45/90/89/357459089.db2.gz FIHITHUMYZWFSA-LBPRGKRZSA-N 2 0 267.373 -0.033 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000638337263 357459503 /nfs/dbraw/zinc/45/95/03/357459503.db2.gz FEYCTOXIXWXSFN-GFCCVEGCSA-N 2 0 285.388 -0.551 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2C[NH2+]CCO2)cn1 ZINC000638338361 357460577 /nfs/dbraw/zinc/46/05/77/357460577.db2.gz WOUNHFCJRYSAFW-LBPRGKRZSA-N 2 0 281.360 -0.837 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000638354877 357461834 /nfs/dbraw/zinc/46/18/34/357461834.db2.gz WYHFNSNAAAEAKI-NSHDSACASA-N 2 0 255.362 -0.217 20 0 CBADRP C[C@@]1(C(=O)N2CCC3(CC[NH2+]3)CC2)C[NH2+]CCO1 ZINC000638357413 357462854 /nfs/dbraw/zinc/46/28/54/357462854.db2.gz LPHKUEMHVQUZJS-LBPRGKRZSA-N 2 0 253.346 -0.281 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638385494 357464964 /nfs/dbraw/zinc/46/49/64/357464964.db2.gz DPQOESLLOUOLLK-OAHLLOKOSA-N 2 0 299.415 -0.031 20 0 CBADRP C[C@@]1(C(=O)N2CCC(CC[NH3+])CC2)C[NH2+]CCO1 ZINC000638389766 357465821 /nfs/dbraw/zinc/46/58/21/357465821.db2.gz CZQXYYAXJXSTPA-ZDUSSCGKSA-N 2 0 255.362 -0.048 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NCCC1CC[NH2+]CC1 ZINC000638393126 357466706 /nfs/dbraw/zinc/46/67/06/357466706.db2.gz AKFAHUOWENQAPE-UHFFFAOYSA-N 2 0 254.378 -0.603 20 0 CBADRP C[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2)[C@@H]1CC[NH3+] ZINC000638391622 357467215 /nfs/dbraw/zinc/46/72/15/357467215.db2.gz XHVZJAMNHMOGGL-CHWSQXEVSA-N 2 0 268.405 -0.133 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638619954 357509956 /nfs/dbraw/zinc/50/99/56/357509956.db2.gz WRYMQLMCBJWZIQ-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638619943 357509987 /nfs/dbraw/zinc/50/99/87/357509987.db2.gz WRYMQLMCBJWZIQ-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000638426608 357473996 /nfs/dbraw/zinc/47/39/96/357473996.db2.gz SNWJBHSGKSCUIA-YDHLFZDLSA-N 2 0 296.415 -0.741 20 0 CBADRP [NH3+][C@H]1CC=C(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000638427587 357474986 /nfs/dbraw/zinc/47/49/86/357474986.db2.gz VFWQMAIGGJDWOD-STQMWFEESA-N 2 0 264.373 -0.460 20 0 CBADRP C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CCO1 ZINC000638432839 357475216 /nfs/dbraw/zinc/47/52/16/357475216.db2.gz NKMDRBJISUBNJA-RWMBFGLXSA-N 2 0 285.388 -0.328 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CCOC3(C[NH2+]C3)C2)CC[N@@H+]1C ZINC000638439956 357477276 /nfs/dbraw/zinc/47/72/76/357477276.db2.gz LJAYHVOEYTUARS-NWDGAFQWSA-N 2 0 267.373 -0.083 20 0 CBADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)CN1CC[NH2+]CC1)C2 ZINC000638442314 357477507 /nfs/dbraw/zinc/47/75/07/357477507.db2.gz RQZKSKMWHQUBOV-DGCLKSJQSA-N 2 0 252.362 -0.769 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000638439383 357477774 /nfs/dbraw/zinc/47/77/74/357477774.db2.gz GIIOFXHFSIFMJU-UHFFFAOYSA-N 2 0 297.399 -0.454 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000638492373 357484023 /nfs/dbraw/zinc/48/40/23/357484023.db2.gz OREPZTPZYNXJSM-NEPJUHHUSA-N 3 0 256.394 -0.278 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000638494886 357485271 /nfs/dbraw/zinc/48/52/71/357485271.db2.gz BZTAQJQKDAVSOM-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638497706 357487462 /nfs/dbraw/zinc/48/74/62/357487462.db2.gz HJGIWWMJQILQSE-WDEREUQCSA-N 2 0 253.346 -0.234 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638497705 357487531 /nfs/dbraw/zinc/48/75/31/357487531.db2.gz HJGIWWMJQILQSE-QWRGUYRKSA-N 2 0 253.346 -0.234 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638504164 357490899 /nfs/dbraw/zinc/49/08/99/357490899.db2.gz DNWSGKZMEXRJQP-NEPJUHHUSA-N 2 0 294.399 -0.355 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638505595 357491168 /nfs/dbraw/zinc/49/11/68/357491168.db2.gz MOVVQDJHGOKPIR-QWRGUYRKSA-N 2 0 280.372 -0.745 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638507186 357491218 /nfs/dbraw/zinc/49/12/18/357491218.db2.gz BLKDWSPVOWNHOJ-WDEREUQCSA-N 2 0 253.346 -0.234 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638507698 357491234 /nfs/dbraw/zinc/49/12/34/357491234.db2.gz KLAMLMOESKCYPN-LOWVWBTDSA-N 2 0 265.357 -0.377 20 0 CBADRP [NH3+][C@H](Cc1ccccc1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638623218 357511318 /nfs/dbraw/zinc/51/13/18/357511318.db2.gz AFVLPKFOOKKNCX-CHWSQXEVSA-N 2 0 263.341 -0.339 20 0 CBADRP [NH3+][C@H]1CCCCN(CC(=O)N[C@H]2CC[NH2+]C23CCC3)C1=O ZINC000638510652 357492017 /nfs/dbraw/zinc/49/20/17/357492017.db2.gz KHDDZPAOCRVSCV-RYUDHWBXSA-N 2 0 294.399 -0.273 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[C@H]1C(F)(F)F ZINC000638560555 357494015 /nfs/dbraw/zinc/49/40/15/357494015.db2.gz WUMKQOGHVNULAQ-JGVFFNPUSA-N 2 0 281.278 -0.694 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)c2cn(CCCC[NH3+])nn2)C[NH2+]1 ZINC000638653884 357516477 /nfs/dbraw/zinc/51/64/77/357516477.db2.gz ZYHZZCDFOZBYPI-QWRGUYRKSA-N 2 0 280.376 -0.113 20 0 CBADRP [NH3+]CCCOCCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000638661614 357517646 /nfs/dbraw/zinc/51/76/46/357517646.db2.gz BJLWJHJHNKRHTQ-VXGBXAGGSA-N 2 0 255.362 -0.001 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000638728449 357526385 /nfs/dbraw/zinc/52/63/85/357526385.db2.gz RURIJHQXRYVKKB-JTQLQIEISA-N 2 0 266.349 -0.549 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000638773750 357528241 /nfs/dbraw/zinc/52/82/41/357528241.db2.gz OZTFCMZZBIRGMW-IQJOONFLSA-N 2 0 263.345 -0.033 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000638775281 357528283 /nfs/dbraw/zinc/52/82/83/357528283.db2.gz ACMLXNYLIKZYFK-QJPTWQEYSA-N 2 0 282.388 -0.737 20 0 CBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H]2CC[NH2+]C2)C1(C)C ZINC000638801805 357531842 /nfs/dbraw/zinc/53/18/42/357531842.db2.gz LPCZAFWPOFAKNT-GIPNMCIBSA-N 2 0 255.362 -0.003 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000638905092 357541851 /nfs/dbraw/zinc/54/18/51/357541851.db2.gz AKSFFADJKMBQNS-RTXFEEFZSA-N 2 0 292.387 -0.102 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917851 357543478 /nfs/dbraw/zinc/54/34/78/357543478.db2.gz JILATKJAAYLYBT-STQMWFEESA-N 2 0 285.388 -0.456 20 0 CBADRP COC[C@]1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCCC[NH2+]1 ZINC000638919092 357544420 /nfs/dbraw/zinc/54/44/20/357544420.db2.gz XXGITWDNAHEMPU-GVXVVHGQSA-N 2 0 253.346 -0.282 20 0 CBADRP COC1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC000638918932 357544436 /nfs/dbraw/zinc/54/44/36/357544436.db2.gz IRFCYJYPTFKJOG-PHIMTYICSA-N 2 0 253.346 -0.282 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000638934290 357546236 /nfs/dbraw/zinc/54/62/36/357546236.db2.gz GMBRUKDSDXTGGC-STQMWFEESA-N 2 0 268.405 -0.038 20 0 CBADRP CC(C)[C@H]1CN(C(=O)[C@@H](C)N2CCNCC2=O)CC[N@@H+]1C ZINC000639018702 357553141 /nfs/dbraw/zinc/55/31/41/357553141.db2.gz SLFKEFLRXHRNDE-CHWSQXEVSA-N 2 0 296.415 -0.395 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639026494 357554160 /nfs/dbraw/zinc/55/41/60/357554160.db2.gz GCPYHXNMNCZIBC-SRVKXCTJSA-N 2 0 253.346 -0.425 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639028239 357554990 /nfs/dbraw/zinc/55/49/90/357554990.db2.gz XQOGDUZFFDFUPO-JHJVBQTASA-N 2 0 267.373 -0.035 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]C1 ZINC000639032116 357555003 /nfs/dbraw/zinc/55/50/03/357555003.db2.gz MIAMNFBJGLMVSU-GVXVVHGQSA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH+](C)C[C@]1(O)CCCN(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000639768877 357597070 /nfs/dbraw/zinc/59/70/70/357597070.db2.gz UVMNAYGDTMTAGC-HUUCEWRRSA-N 2 0 285.432 -0.170 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000641493506 357712963 /nfs/dbraw/zinc/71/29/63/357712963.db2.gz NUHVWTZDYSEJQB-GHMZBOCLSA-N 2 0 272.393 -0.180 20 0 CBADRP COCC[C@@H]([NH3+])Cc1cn(C[C@@H](O)C[N@H+](C)C(C)C)nn1 ZINC000641220757 357681874 /nfs/dbraw/zinc/68/18/74/357681874.db2.gz FHWHPEVMPQJNQF-OCCSQVGLSA-N 2 0 299.419 -0.115 20 0 CBADRP C[N@H+](C[C@@H](O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1)C1CC1 ZINC000641220890 357681923 /nfs/dbraw/zinc/68/19/23/357681923.db2.gz CPHOUCSXMXKLPH-SMDDNHRTSA-N 2 0 279.388 -0.115 20 0 CBADRP CC[N@H+](C)C[C@H](O)Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000641220921 357681945 /nfs/dbraw/zinc/68/19/45/357681945.db2.gz DEZKHHWWOSTEKX-AWEZNQCLSA-N 2 0 296.419 -0.962 20 0 CBADRP COCC[N@H+](C)C[C@H](O)Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000641224897 357682444 /nfs/dbraw/zinc/68/24/44/357682444.db2.gz YVBRZOVLABKRKX-OCCSQVGLSA-N 2 0 297.403 -0.631 20 0 CBADRP c1c(CN2CC[NH2+]CC2)nnn1CC1CC[NH2+]CC1 ZINC000641233767 357683121 /nfs/dbraw/zinc/68/31/21/357683121.db2.gz YGYSEUJUIUOJFP-UHFFFAOYSA-N 2 0 264.377 -0.317 20 0 CBADRP CC[N@H+](C)C[C@@H](O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641223485 357683200 /nfs/dbraw/zinc/68/32/00/357683200.db2.gz RCVJVSMPTXDLGW-WCQYABFASA-N 2 0 267.377 -0.257 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000641423398 357703697 /nfs/dbraw/zinc/70/36/97/357703697.db2.gz AJYADMHPSUFADF-GFCCVEGCSA-N 2 0 299.419 -0.375 20 0 CBADRP CN(C)S(=O)(=O)CCC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802443 357743739 /nfs/dbraw/zinc/74/37/39/357743739.db2.gz KWOGFTOCIIQQOI-ZJUUUORDSA-N 2 0 263.407 -0.017 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000641995207 357749096 /nfs/dbraw/zinc/74/90/96/357749096.db2.gz BYEUEOIMWGMYDC-MCIONIFRSA-N 2 0 295.431 -0.232 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642114186 357750298 /nfs/dbraw/zinc/75/02/98/357750298.db2.gz OZJATQPDQKDGAB-NXEZZACHSA-N 2 0 258.366 -0.704 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000642329787 357753390 /nfs/dbraw/zinc/75/33/90/357753390.db2.gz SHGGZVWCAMBYCW-WOPDTQHZSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[NH2+]C ZINC000642439309 357754528 /nfs/dbraw/zinc/75/45/28/357754528.db2.gz AYGHPFVADFQTLT-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000642439769 357755227 /nfs/dbraw/zinc/75/52/27/357755227.db2.gz OQWXXIDJQHDBEX-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000642439533 357755326 /nfs/dbraw/zinc/75/53/26/357755326.db2.gz KYPIPZUOVIINMT-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000642440196 357755368 /nfs/dbraw/zinc/75/53/68/357755368.db2.gz YVDFFBQOGSHALS-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC[NH2+]C ZINC000642439735 357755737 /nfs/dbraw/zinc/75/57/37/357755737.db2.gz OBMQVRZSHAMQIX-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000642439404 357755763 /nfs/dbraw/zinc/75/57/63/357755763.db2.gz FTKWEIPOKSRMRO-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000642535630 357756685 /nfs/dbraw/zinc/75/66/85/357756685.db2.gz UCNWQYOJWQIRJY-VXGBXAGGSA-N 2 0 294.399 -0.402 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[NH2+]CC2)CCC1 ZINC000642698710 357759133 /nfs/dbraw/zinc/75/91/33/357759133.db2.gz IFFLPCNTQHHSHL-UHFFFAOYSA-N 2 0 282.388 -0.591 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000642731742 357760542 /nfs/dbraw/zinc/76/05/42/357760542.db2.gz ZAHJMOWGJRDGJX-LLVKDONJSA-N 2 0 270.377 -0.702 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642756049 357760858 /nfs/dbraw/zinc/76/08/58/357760858.db2.gz SKMUNPCEKNVGRA-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000642787624 357762125 /nfs/dbraw/zinc/76/21/25/357762125.db2.gz GSBBNPLRRZUFDQ-LLVKDONJSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000642786018 357762655 /nfs/dbraw/zinc/76/26/55/357762655.db2.gz XFOIRNLKUPPLSV-STQMWFEESA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000642800811 357763453 /nfs/dbraw/zinc/76/34/53/357763453.db2.gz OOKGXXVJOAVJPG-CMPLNLGQSA-N 2 0 282.388 -0.417 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642801228 357763968 /nfs/dbraw/zinc/76/39/68/357763968.db2.gz JSJLWUZBBIMBIO-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000642892863 357764591 /nfs/dbraw/zinc/76/45/91/357764591.db2.gz ZVLAUPPRJPUEGC-CHWSQXEVSA-N 2 0 296.415 -0.156 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642905077 357766611 /nfs/dbraw/zinc/76/66/11/357766611.db2.gz FSMWEGUPZAVLRS-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000642909258 357767557 /nfs/dbraw/zinc/76/75/57/357767557.db2.gz JJNZGWQGQDQQFB-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000642909331 357767737 /nfs/dbraw/zinc/76/77/37/357767737.db2.gz KTRWIBOKFGAIFZ-SRVKXCTJSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000642909221 357767882 /nfs/dbraw/zinc/76/78/82/357767882.db2.gz IMMDOORIXYAJBT-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000642910556 357768190 /nfs/dbraw/zinc/76/81/90/357768190.db2.gz ISMDTXDMBIAAMZ-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)[NH3+])C1 ZINC000642910497 357768239 /nfs/dbraw/zinc/76/82/39/357768239.db2.gz HNWDNOCDKRPSKF-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000642910502 357768353 /nfs/dbraw/zinc/76/83/53/357768353.db2.gz HPSRGBCDOGEFAX-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NC[C@H](C)[NH3+])CC2 ZINC000642911241 357768383 /nfs/dbraw/zinc/76/83/83/357768383.db2.gz ZLSVLJJCEXTXOO-XQQFMLRXSA-N 2 0 296.415 -0.077 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000642910557 357768987 /nfs/dbraw/zinc/76/89/87/357768987.db2.gz ISMDTXDMBIAAMZ-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000642947277 357772270 /nfs/dbraw/zinc/77/22/70/357772270.db2.gz HALCQUIAGJLEMU-MNOVXSKESA-N 2 0 270.377 -0.704 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000642948198 357772433 /nfs/dbraw/zinc/77/24/33/357772433.db2.gz NVHKJKCFRWOQIY-FRRDWIJNSA-N 2 0 296.415 -0.219 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H](C)C[NH3+])C1 ZINC000642954376 357772583 /nfs/dbraw/zinc/77/25/83/357772583.db2.gz QKPVTWXQODNVND-GHMZBOCLSA-N 2 0 270.377 -0.561 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000643482937 357785227 /nfs/dbraw/zinc/78/52/27/357785227.db2.gz DAHVEFGYXRNAQX-TXEJJXNPSA-N 2 0 282.388 -0.641 20 0 CBADRP C[N@@H+]1CC[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)[C@H]2CCC[C@H]21 ZINC000643500300 357785794 /nfs/dbraw/zinc/78/57/94/357785794.db2.gz ABLSHPYCSJADGW-HZSPNIEDSA-N 3 0 280.416 -0.119 20 0 CBADRP CO[C@H]1CCC[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C1 ZINC000643500511 357786125 /nfs/dbraw/zinc/78/61/25/357786125.db2.gz WPKSFLOBWXCBNO-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000643581021 357789617 /nfs/dbraw/zinc/78/96/17/357789617.db2.gz UYXJUSJDFYPWJG-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[N@@H+]1C1CC1 ZINC000365103056 291141243 /nfs/dbraw/zinc/14/12/43/291141243.db2.gz AKAPOVFZMYPARN-GAIPPQHRSA-N 2 0 253.346 -0.549 20 0 CBADRP C[C@H]1C[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)CC[NH2+]1 ZINC000370093027 291144743 /nfs/dbraw/zinc/14/47/43/291144743.db2.gz HOLUFFMEUJQSGB-DTWKUNHWSA-N 2 0 263.345 -0.074 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000516572519 291151273 /nfs/dbraw/zinc/15/12/73/291151273.db2.gz KIQHMVMVXDZPGB-AXFHLTTASA-N 2 0 271.361 -0.182 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000377579797 291191882 /nfs/dbraw/zinc/19/18/82/291191882.db2.gz JIZRBRDGWYWCGK-CHWSQXEVSA-N 2 0 268.405 -0.214 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000419847748 283515043 /nfs/dbraw/zinc/51/50/43/283515043.db2.gz SEJNFHLDOPFSDE-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@H](CC(N)=O)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000341907357 216147859 /nfs/dbraw/zinc/14/78/59/216147859.db2.gz ZNWYEXNTILNMOF-LLVKDONJSA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC([NH+](C)C)C1 ZINC000342139611 216233588 /nfs/dbraw/zinc/23/35/88/216233588.db2.gz ZVUVSYKFJULVAR-NSHDSACASA-N 2 0 255.362 -0.273 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1O ZINC000574098001 334992227 /nfs/dbraw/zinc/99/22/27/334992227.db2.gz GXQUJQWZPDUELM-RYUDHWBXSA-N 2 0 267.373 -0.252 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1nc[nH]n1 ZINC000540976804 283701654 /nfs/dbraw/zinc/70/16/54/283701654.db2.gz PSRZPOOHMABPPZ-UHFFFAOYSA-N 2 0 254.338 -0.630 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364558109 296055285 /nfs/dbraw/zinc/05/52/85/296055285.db2.gz IRJLSZIUAIFLOJ-LBPRGKRZSA-N 2 0 267.373 -0.033 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000374434067 296054896 /nfs/dbraw/zinc/05/48/96/296054896.db2.gz DOBOYRSZFYQFKD-STQMWFEESA-N 2 0 267.373 -0.035 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[NH+](C2CCCC2)CC1 ZINC000052062708 296072011 /nfs/dbraw/zinc/07/20/11/296072011.db2.gz HMUWQSTWEJFREW-STQMWFEESA-N 2 0 267.373 -0.204 20 0 CBADRP C[C@]1(CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC[NH2+]C1 ZINC000514949306 291380408 /nfs/dbraw/zinc/38/04/08/291380408.db2.gz DKQTYRGGPKOFKQ-GVXVVHGQSA-N 2 0 252.362 -0.770 20 0 CBADRP CC[NH+]1CCN(CC(=O)N(C)[C@@H]2CC[NH2+]C2)CC1 ZINC000574208377 335000987 /nfs/dbraw/zinc/00/09/87/335000987.db2.gz MXKRVRQPRZYAJQ-GFCCVEGCSA-N 2 0 254.378 -0.556 20 0 CBADRP COC(=O)[C@H]1CN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC[N@H+](C)C1 ZINC000413891934 284113792 /nfs/dbraw/zinc/11/37/92/284113792.db2.gz HOIWEYHDBVUOGL-XQQFMLRXSA-N 2 0 297.399 -0.253 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CCN(CCC(=O)OC)C[C@@H]1C ZINC000574328763 335010833 /nfs/dbraw/zinc/01/08/33/335010833.db2.gz XNFGLZMWOOELID-WDEREUQCSA-N 2 0 271.361 -0.181 20 0 CBADRP CCCN(C(=O)C(=O)N(C)CCC[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000574310483 335009234 /nfs/dbraw/zinc/00/92/34/335009234.db2.gz RWELOFJHKJYXFB-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000343863176 216954602 /nfs/dbraw/zinc/95/46/02/216954602.db2.gz OTINSDMVTGDCSK-NXEZZACHSA-N 2 0 257.334 -0.571 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000331665400 204055852 /nfs/dbraw/zinc/05/58/52/204055852.db2.gz QXAFOYUHQWYAPQ-AGIUHOORSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000331665403 204057370 /nfs/dbraw/zinc/05/73/70/204057370.db2.gz QXAFOYUHQWYAPQ-FRRDWIJNSA-N 2 0 294.399 -0.450 20 0 CBADRP CN(CCC[N@H+](C)CCN1C(=O)CCC1=O)CC[NH+](C)C ZINC000344060719 217032765 /nfs/dbraw/zinc/03/27/65/217032765.db2.gz MCKCIDAEHKREMR-UHFFFAOYSA-N 2 0 298.431 -0.049 20 0 CBADRP C[C@]([NH2+]CCOCC[NH3+])(C(N)=O)c1ccccc1 ZINC000574400436 335016578 /nfs/dbraw/zinc/01/65/78/335016578.db2.gz NSFANVIYABGAGQ-CYBMUJFWSA-N 2 0 251.330 -0.048 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC2([NH3+])CCC2)C[C@H]1C ZINC000332490937 296183795 /nfs/dbraw/zinc/18/37/95/296183795.db2.gz RZRDMQNTWPCFRW-VXGBXAGGSA-N 2 0 284.404 -0.036 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCSC1 ZINC000333139148 205064315 /nfs/dbraw/zinc/06/43/15/205064315.db2.gz CUAMPFKZFADXNQ-WGBDABJCSA-N 2 0 284.429 -0.059 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000333167381 205085675 /nfs/dbraw/zinc/08/56/75/205085675.db2.gz HOOVBYUBHLVNOO-KGYLQXTDSA-N 2 0 282.388 -0.243 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000125143947 372794619 /nfs/dbraw/zinc/79/46/19/372794619.db2.gz KWJGGHHKIDWDNK-CYBMUJFWSA-N 2 0 290.408 -0.824 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000068807372 372767141 /nfs/dbraw/zinc/76/71/41/372767141.db2.gz RULDEYXIYFQIEC-WDEREUQCSA-N 2 0 256.394 -0.278 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000102788568 372780286 /nfs/dbraw/zinc/78/02/86/372780286.db2.gz SBFKYRZJHAISRZ-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP CC[C@@]1(C(=O)NCCN2CC[NH2+]CC2)CCC[NH2+]1 ZINC000134366350 372801464 /nfs/dbraw/zinc/80/14/64/372801464.db2.gz SDSZUZBMJFJRDT-ZDUSSCGKSA-N 2 0 254.378 -0.460 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000353432989 220081297 /nfs/dbraw/zinc/08/12/97/220081297.db2.gz SRQAJFZNAHACQM-ONGXEEELSA-N 2 0 261.391 -0.486 20 0 CBADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)NC(N)=O)C1 ZINC000173894910 284347445 /nfs/dbraw/zinc/34/74/45/284347445.db2.gz CQTKNXDNIGMCPN-JTQLQIEISA-N 2 0 256.350 -0.155 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000157268636 372808431 /nfs/dbraw/zinc/80/84/31/372808431.db2.gz VFGUULKTPQHEJV-VXGBXAGGSA-N 2 0 254.378 -0.510 20 0 CBADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000188763934 372853193 /nfs/dbraw/zinc/85/31/93/372853193.db2.gz JXLWRTBSTHCFGE-SNVBAGLBSA-N 2 0 275.356 -0.024 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NCC[NH+]1CCSCC1 ZINC000219241359 372871413 /nfs/dbraw/zinc/87/14/13/372871413.db2.gz AJRINELVJABLML-JTQLQIEISA-N 2 0 261.391 -0.485 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353461007 220096484 /nfs/dbraw/zinc/09/64/84/220096484.db2.gz PSYGAWUUCHFSJR-QLFBSQMISA-N 2 0 294.443 -0.016 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000353464765 220097437 /nfs/dbraw/zinc/09/74/37/220097437.db2.gz YTSSCYSRSIJXKH-LBPRGKRZSA-N 2 0 272.393 -0.898 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000353470930 220103344 /nfs/dbraw/zinc/10/33/44/220103344.db2.gz LQORIOLMVOGSFF-AWEZNQCLSA-N 2 0 297.447 -0.031 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C[C@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000252200862 372896990 /nfs/dbraw/zinc/89/69/90/372896990.db2.gz WGXFCODOPYFEJK-UTUOFQBUSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000331881332 373000352 /nfs/dbraw/zinc/00/03/52/373000352.db2.gz NTPYVYZBWLYBFM-NWDGAFQWSA-N 2 0 296.415 -0.204 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332082505 373002553 /nfs/dbraw/zinc/00/25/53/373002553.db2.gz BABVXQONUWTHLU-AVGNSLFASA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[C@@H](C)C[NH2+]1 ZINC000332655112 373005676 /nfs/dbraw/zinc/00/56/76/373005676.db2.gz VTTJLTLZVUGJMR-FRRDWIJNSA-N 2 0 294.399 -0.498 20 0 CBADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000346648994 373068515 /nfs/dbraw/zinc/06/85/15/373068515.db2.gz GIBSPJTZIBINHW-UWVGGRQHSA-N 2 0 266.345 -0.747 20 0 CBADRP CC[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CCC[NH2+]1 ZINC000343770667 373053504 /nfs/dbraw/zinc/05/35/04/373053504.db2.gz TUQLODZGYPCLEH-DOMZBBRYSA-N 2 0 296.415 -0.025 20 0 CBADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351516671 373097928 /nfs/dbraw/zinc/09/79/28/373097928.db2.gz HEECTOOWBOEZDJ-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCN(CC(=O)NCC(=O)N2CCCC2)C1 ZINC000351859349 373100186 /nfs/dbraw/zinc/10/01/86/373100186.db2.gz CYZOLZFZJSIPPF-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@H](C)C[NH+](C)C ZINC000352778432 373108548 /nfs/dbraw/zinc/10/85/48/373108548.db2.gz KTVGPYCQXNCUON-LLVKDONJSA-N 2 0 260.382 -0.186 20 0 CBADRP CCC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000353585571 373112732 /nfs/dbraw/zinc/11/27/32/373112732.db2.gz AOWSECBCHCEWIW-QWRGUYRKSA-N 2 0 270.377 -0.430 20 0 CBADRP CCCC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000353594840 373113336 /nfs/dbraw/zinc/11/33/36/373113336.db2.gz YYUJGHKXXFNBLP-NWDGAFQWSA-N 2 0 284.404 -0.040 20 0 CBADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000353594867 373113837 /nfs/dbraw/zinc/11/38/37/373113837.db2.gz ZCELLOYTPSILOG-QJPTWQEYSA-N 2 0 284.404 -0.184 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000355296532 373123335 /nfs/dbraw/zinc/12/33/35/373123335.db2.gz HQLXETUQEXAQQH-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@H](C(=O)NCCN1CC[NH+](C)CC1)[NH+](C)C ZINC000359423538 373177000 /nfs/dbraw/zinc/17/70/00/373177000.db2.gz BZOANYRKHVMEKM-GFCCVEGCSA-N 2 0 256.394 -0.310 20 0 CBADRP CN(CC[N@H+](C)[C@H]1COC[C@H]1O)C1CC[NH+](C)CC1 ZINC000361328321 373278389 /nfs/dbraw/zinc/27/83/89/373278389.db2.gz KGKZKXPJBWXRRD-UONOGXRCSA-N 2 0 271.405 -0.296 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccnc(C[NH3+])c2)C1 ZINC000361627685 373321070 /nfs/dbraw/zinc/32/10/70/373321070.db2.gz OVXJKTQEMRVHHL-GFCCVEGCSA-N 2 0 278.356 -0.009 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)CCC[NH3+])CC2)C1 ZINC000361710077 373327021 /nfs/dbraw/zinc/32/70/21/373327021.db2.gz CNVAYUUYAUQHLS-ZDUSSCGKSA-N 2 0 268.405 -0.036 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000353599586 220182890 /nfs/dbraw/zinc/18/28/90/220182890.db2.gz TZEMAHHVMPEYAQ-RYUDHWBXSA-N 2 0 284.404 -0.327 20 0 CBADRP CCC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353600690 220183232 /nfs/dbraw/zinc/18/32/32/220183232.db2.gz XNXIUCFRTHEVBV-NEPJUHHUSA-N 2 0 284.404 -0.183 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000363738904 373506933 /nfs/dbraw/zinc/50/69/33/373506933.db2.gz IICOHXHVJMQKJX-AAEUAGOBSA-N 2 0 255.362 -0.320 20 0 CBADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000365333671 373522946 /nfs/dbraw/zinc/52/29/46/373522946.db2.gz YQOCELAMSDVQCB-WHOHXGKFSA-N 2 0 253.346 -0.596 20 0 CBADRP CC(C)[C@@H](CNC(=O)C1(C)C[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000399277493 373583685 /nfs/dbraw/zinc/58/36/85/373583685.db2.gz YNEUAWBGHPJHSK-CYBMUJFWSA-N 2 0 282.432 -0.016 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399020663 373585840 /nfs/dbraw/zinc/58/58/40/373585840.db2.gz HYBQESNMEVCBCW-NEPJUHHUSA-N 2 0 254.378 -0.524 20 0 CBADRP C[NH2+]CC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000372099831 373554020 /nfs/dbraw/zinc/55/40/20/373554020.db2.gz YUGAXHMQAXJJIV-GFCCVEGCSA-N 2 0 254.378 -0.556 20 0 CBADRP C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000377291996 373576081 /nfs/dbraw/zinc/57/60/81/373576081.db2.gz OLJFBDSPLKMBKL-QNWHQSFQSA-N 2 0 267.373 -0.206 20 0 CBADRP O=C([C@H]1CCCC[NH2+]1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377563710 373576309 /nfs/dbraw/zinc/57/63/09/373576309.db2.gz MDLIOXPBSHQIBS-CHWSQXEVSA-N 2 0 266.389 -0.365 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000417448052 373628715 /nfs/dbraw/zinc/62/87/15/373628715.db2.gz SRYCLNCTKPQHTF-RYUDHWBXSA-N 2 0 272.393 -0.044 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417442909 373628753 /nfs/dbraw/zinc/62/87/53/373628753.db2.gz WONWVULAMULHEQ-STQMWFEESA-N 2 0 284.404 -0.185 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417092461 373629288 /nfs/dbraw/zinc/62/92/88/373629288.db2.gz MBCGXPMDTCITII-LBPRGKRZSA-N 2 0 272.393 -0.009 20 0 CBADRP CC[N@H+](CCNC(=O)NC[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000417431886 373629872 /nfs/dbraw/zinc/62/98/72/373629872.db2.gz RZBVNEMTUAVCKV-LBPRGKRZSA-N 2 0 270.377 -0.242 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)CC[NH3+])[C@@H](C)C1 ZINC000418537391 373633387 /nfs/dbraw/zinc/63/33/87/373633387.db2.gz CUEQCGGXIRNTEE-SRVKXCTJSA-N 2 0 272.393 -0.180 20 0 CBADRP C[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)[C@H](C)[NH3+] ZINC000418699119 373633884 /nfs/dbraw/zinc/63/38/84/373633884.db2.gz NSWWBSQLXWVKON-TUAOUCFPSA-N 2 0 272.393 -0.132 20 0 CBADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000418649093 373633931 /nfs/dbraw/zinc/63/39/31/373633931.db2.gz VQHNILICUSICSK-SDDRHHMPSA-N 2 0 284.404 -0.356 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000419150115 373634969 /nfs/dbraw/zinc/63/49/69/373634969.db2.gz LUOPYNQGVYVONU-NEPJUHHUSA-N 2 0 286.420 -0.068 20 0 CBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419026314 373635635 /nfs/dbraw/zinc/63/56/35/373635635.db2.gz NKSVOAXCQLZYFJ-XQQFMLRXSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CC2)C[C@H](C)[NH2+]1 ZINC000419103053 373636032 /nfs/dbraw/zinc/63/60/32/373636032.db2.gz LLXISEDRJJMURL-PHIMTYICSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419431706 373638243 /nfs/dbraw/zinc/63/82/43/373638243.db2.gz XRQHWJFYUAHUSQ-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000423598570 373658747 /nfs/dbraw/zinc/65/87/47/373658747.db2.gz VYJWHNNOSHLDDI-STQMWFEESA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@H]1CCN(C(=O)C(=O)N(C)CC[NH+](C)C)C[C@H]1C[NH3+] ZINC000423057749 373655596 /nfs/dbraw/zinc/65/55/96/373655596.db2.gz ANWFUYUEEXILHD-NWDGAFQWSA-N 2 0 284.404 -0.550 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000423151632 373655845 /nfs/dbraw/zinc/65/58/45/373655845.db2.gz KHHJQDCYHWDBRH-STQMWFEESA-N 2 0 294.399 -0.367 20 0 CBADRP CCC[C@@H](C(=O)NC[C@H]1C[NH2+]CCN1C)[NH+](C)C ZINC000423724886 373662100 /nfs/dbraw/zinc/66/21/00/373662100.db2.gz RXYRATAQKLZYDX-NEPJUHHUSA-N 2 0 256.394 -0.264 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000424460527 373664699 /nfs/dbraw/zinc/66/46/99/373664699.db2.gz BFWBLNLZMYYBKT-GMTAPVOTSA-N 2 0 256.350 -0.456 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424163705 373666046 /nfs/dbraw/zinc/66/60/46/373666046.db2.gz XYZUYELZIYUMHX-WOPDTQHZSA-N 2 0 282.388 -0.608 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000574451357 335020635 /nfs/dbraw/zinc/02/06/35/335020635.db2.gz IYKIIUINTGIOCU-ZJUUUORDSA-N 2 0 257.334 -0.536 20 0 CBADRP O=C(/C=C/c1ncc[nH]1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000493536005 373717471 /nfs/dbraw/zinc/71/74/71/373717471.db2.gz YZFNEUCHQKGADF-VSZDKKFSSA-N 2 0 276.340 -0.004 20 0 CBADRP C[C@@H](CNC(=O)C(C)(C)C[NH3+])C[NH+]1CCN(C)CC1 ZINC000431016985 373675170 /nfs/dbraw/zinc/67/51/70/373675170.db2.gz MLLWKVLKNWNETF-LBPRGKRZSA-N 2 0 270.421 -0.029 20 0 CBADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000442789654 373680537 /nfs/dbraw/zinc/68/05/37/373680537.db2.gz KAGYHFWESJNGTD-QWRGUYRKSA-N 2 0 263.407 -0.063 20 0 CBADRP Cn1ccnc1CN[C@H]1CC(=O)N(CC[NH+](C)C)C1=O ZINC000514947295 373772994 /nfs/dbraw/zinc/77/29/94/373772994.db2.gz UXKBOAULRKENHZ-JTQLQIEISA-N 2 0 279.344 -0.801 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000493896403 373735615 /nfs/dbraw/zinc/73/56/15/373735615.db2.gz GAKHYHFUZAYAQE-GHMZBOCLSA-N 2 0 257.378 -0.067 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000217707573 220235501 /nfs/dbraw/zinc/23/55/01/220235501.db2.gz GKSVFZVTUAHXEK-UTUOFQBUSA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000515060367 373775106 /nfs/dbraw/zinc/77/51/06/373775106.db2.gz WDWFPFMPTQRVEH-WDEREUQCSA-N 2 0 278.360 -0.536 20 0 CBADRP [NH3+]CCCCC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000514725842 373761022 /nfs/dbraw/zinc/76/10/22/373761022.db2.gz UAHOXGYBDYUYSN-GFCCVEGCSA-N 2 0 284.404 -0.039 20 0 CBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000516168473 373805339 /nfs/dbraw/zinc/80/53/39/373805339.db2.gz JPKIWXNQQOCKNX-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C[C@@H](C)[NH2+]1 ZINC000516273788 373807244 /nfs/dbraw/zinc/80/72/44/373807244.db2.gz XLQMFGUGCVZAPQ-FVCCEPFGSA-N 2 0 294.399 -0.642 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000516580656 373815984 /nfs/dbraw/zinc/81/59/84/373815984.db2.gz NORIIKWOSIIBCQ-MELADBBJSA-N 2 0 271.405 -0.439 20 0 CBADRP CC[NH2+]CC1CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000520231221 373829817 /nfs/dbraw/zinc/82/98/17/373829817.db2.gz NWUONYFMOPDZHO-AWEZNQCLSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@H]1C ZINC000520232091 373829918 /nfs/dbraw/zinc/82/99/18/373829918.db2.gz RQNROKSAAMCOLK-GARJFASQSA-N 2 0 268.361 -0.937 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000520579313 373831623 /nfs/dbraw/zinc/83/16/23/373831623.db2.gz LVSCDAMWYANZCC-SRVKXCTJSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)CCCN1C(=O)C[C@@H]([NH2+]C2(CO)CCCC2)C1=O ZINC000520604837 373832905 /nfs/dbraw/zinc/83/29/05/373832905.db2.gz ZLLIHOYDGSEYIN-GFCCVEGCSA-N 2 0 297.399 -0.040 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000515302450 373781209 /nfs/dbraw/zinc/78/12/09/373781209.db2.gz UXBBQYFJWQVWBS-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000515499776 373789235 /nfs/dbraw/zinc/78/92/35/373789235.db2.gz GUKHOKKKOPLEJG-LLVKDONJSA-N 2 0 272.393 -0.360 20 0 CBADRP C[C@]1(C(=O)N2CCCO[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000515651793 373794483 /nfs/dbraw/zinc/79/44/83/373794483.db2.gz ROSISZBBCHMJSK-YPMHNXCESA-N 2 0 255.362 -0.048 20 0 CBADRP CN(C)C1(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CCC1 ZINC000516051982 373800077 /nfs/dbraw/zinc/80/00/77/373800077.db2.gz KJJXZIBHTWBHGD-CQSZACIVSA-N 2 0 284.448 -0.331 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000524466080 373885319 /nfs/dbraw/zinc/88/53/19/373885319.db2.gz NXOOOGUSRZDAPK-TZMCWYRMSA-N 2 0 295.431 -0.232 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCCOCC2)C1 ZINC000527120827 373903915 /nfs/dbraw/zinc/90/39/15/373903915.db2.gz VKKLOKFSIBNYOU-LBPRGKRZSA-N 2 0 255.362 -0.223 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000526993251 373900479 /nfs/dbraw/zinc/90/04/79/373900479.db2.gz BTTUVRKQCWUOGI-ITGUQSILSA-N 2 0 284.404 -0.234 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000521622324 373846867 /nfs/dbraw/zinc/84/68/67/373846867.db2.gz QKSIYHYCJCSASU-HBNTYKKESA-N 2 0 258.366 -0.129 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1([NH3+])CCC1 ZINC000521997953 373856250 /nfs/dbraw/zinc/85/62/50/373856250.db2.gz AYKZTUPDAIVDRO-JTQLQIEISA-N 2 0 268.361 -0.676 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH+]1CCN(C)CC1 ZINC000522266325 373867666 /nfs/dbraw/zinc/86/76/66/373867666.db2.gz IFDRUVDGVGODSF-UONOGXRCSA-N 2 0 282.432 -0.062 20 0 CBADRP CC[NH+]1CCC(NC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529285251 373997458 /nfs/dbraw/zinc/99/74/58/373997458.db2.gz VMMKMYROVDSEKJ-GFCCVEGCSA-N 2 0 270.377 -0.242 20 0 CBADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1COCC[NH2+]1 ZINC000529292770 373998043 /nfs/dbraw/zinc/99/80/43/373998043.db2.gz VKDWYXCQTXAPOM-NWDGAFQWSA-N 2 0 282.388 -0.242 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529330337 374001647 /nfs/dbraw/zinc/00/16/47/374001647.db2.gz AIEYRWJCDBJCAS-TUAOUCFPSA-N 2 0 270.377 -0.209 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529336578 374004086 /nfs/dbraw/zinc/00/40/86/374004086.db2.gz CXGUXFYQHDZNQZ-TUAOUCFPSA-N 2 0 270.377 -0.209 20 0 CBADRP O=C(CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)N1CC[NH2+]CC1 ZINC000529331356 374005008 /nfs/dbraw/zinc/00/50/08/374005008.db2.gz VFITWMQOHPPVMT-LLVKDONJSA-N 2 0 295.387 -0.998 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529341627 374006263 /nfs/dbraw/zinc/00/62/63/374006263.db2.gz JXOQSTGPYBQFTP-NWDGAFQWSA-N 2 0 282.388 -0.051 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529340499 374006691 /nfs/dbraw/zinc/00/66/91/374006691.db2.gz PBIZDFUJYGBAJT-NWDGAFQWSA-N 2 0 281.404 -0.526 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000529341660 374007033 /nfs/dbraw/zinc/00/70/33/374007033.db2.gz KBKWWWWMBDRVAS-FDYHWXHSSA-N 2 0 282.388 -0.338 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000529340214 374007236 /nfs/dbraw/zinc/00/72/36/374007236.db2.gz QQTZVXUFZPRYPJ-WHOHXGKFSA-N 2 0 252.362 -0.156 20 0 CBADRP CN1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)[C@H](C[NH3+])C1 ZINC000529347333 374009019 /nfs/dbraw/zinc/00/90/19/374009019.db2.gz CKYROCGWOICMMI-NEPJUHHUSA-N 2 0 281.404 -0.445 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CCC[NH2+]CC1 ZINC000529342590 374009134 /nfs/dbraw/zinc/00/91/34/374009134.db2.gz UXNJHCHRIZBPJF-WDEREUQCSA-N 2 0 256.350 -0.584 20 0 CBADRP C[NH+](C)CC1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529372738 374013741 /nfs/dbraw/zinc/01/37/41/374013741.db2.gz HBERYKKAVFPTTA-CYBMUJFWSA-N 2 0 284.404 -0.042 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000529373568 374014485 /nfs/dbraw/zinc/01/44/85/374014485.db2.gz HAIKPAKUWKZPBA-OLZOCXBDSA-N 2 0 280.372 -0.370 20 0 CBADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)NC[C@@H]3COCC[NH2+]3)C2)C1 ZINC000529386337 374023852 /nfs/dbraw/zinc/02/38/52/374023852.db2.gz KXLWEZFOUTURNF-TZMCWYRMSA-N 2 0 282.388 -0.288 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000529376445 374017612 /nfs/dbraw/zinc/01/76/12/374017612.db2.gz DEIKHSDVVXQQPF-IJLUTSLNSA-N 2 0 268.361 -0.632 20 0 CBADRP C[N@H+]1CC=C(CNC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529376580 374018361 /nfs/dbraw/zinc/01/83/61/374018361.db2.gz NQRABLOFDQESOX-LBPRGKRZSA-N 2 0 268.361 -0.464 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)[C@H]2C1 ZINC000529377971 374019187 /nfs/dbraw/zinc/01/91/87/374019187.db2.gz RXFGXUZLWJFNMN-UPJWGTAASA-N 2 0 282.388 -0.290 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529380333 374020342 /nfs/dbraw/zinc/02/03/42/374020342.db2.gz UVQJLOCINSHDOV-NWDGAFQWSA-N 2 0 270.377 -0.432 20 0 CBADRP CC(C)[C@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC000529381081 374021575 /nfs/dbraw/zinc/02/15/75/374021575.db2.gz XFNPHXOHOVKGIL-CHWSQXEVSA-N 2 0 284.404 -0.044 20 0 CBADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000528754117 373980210 /nfs/dbraw/zinc/98/02/10/373980210.db2.gz HUXIDFZEQDIOFX-QKGCVVFFSA-N 2 0 285.432 -0.004 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529388303 374026148 /nfs/dbraw/zinc/02/61/48/374026148.db2.gz NPLQRCVSVQXOBS-AXFHLTTASA-N 2 0 256.350 -0.633 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529388364 374026267 /nfs/dbraw/zinc/02/62/67/374026267.db2.gz NQXLFVXTJWPPDU-RYUDHWBXSA-N 2 0 270.377 -0.384 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529387874 374026303 /nfs/dbraw/zinc/02/63/03/374026303.db2.gz MVYKDTGEUXDENF-WDEREUQCSA-N 2 0 256.350 -0.632 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529388345 374026848 /nfs/dbraw/zinc/02/68/48/374026848.db2.gz NQXLFVXTJWPPDU-NEPJUHHUSA-N 2 0 270.377 -0.384 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000529388388 374027151 /nfs/dbraw/zinc/02/71/51/374027151.db2.gz NVKNPYMYTNFDAW-TZMCWYRMSA-N 2 0 282.388 -0.240 20 0 CBADRP O=C(N1CC[NH2+]CC1)N1CCN(C[C@@]23C[C@@H]2C[NH2+]C3)CC1 ZINC000530241693 374068292 /nfs/dbraw/zinc/06/82/92/374068292.db2.gz HQTBSSLQNBRUTF-HIFRSBDPSA-N 2 0 293.415 -0.761 20 0 CBADRP CNC(=O)NC[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000530231625 374069779 /nfs/dbraw/zinc/06/97/79/374069779.db2.gz SAEULGGORZCAEA-VXGBXAGGSA-N 2 0 270.377 -0.384 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1CCC(=O)N1CC[NH2+]CC1 ZINC000530228974 374070047 /nfs/dbraw/zinc/07/00/47/374070047.db2.gz JQTAGPYYIPXTSE-CYBMUJFWSA-N 2 0 268.405 -0.262 20 0 CBADRP CN1CCO[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000531252136 374121754 /nfs/dbraw/zinc/12/17/54/374121754.db2.gz NCBDZKQDNZMQSS-ZDUSSCGKSA-N 3 0 286.420 -0.731 20 0 CBADRP CN1C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1=O ZINC000532001198 374155800 /nfs/dbraw/zinc/15/58/00/374155800.db2.gz MYBDVPNLRGCJIO-LBPRGKRZSA-N 2 0 299.419 -0.648 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)C[C@@H]1O ZINC000552157018 374260723 /nfs/dbraw/zinc/26/07/23/374260723.db2.gz AMSDNHXLIMGOQV-AVGNSLFASA-N 2 0 267.373 -0.254 20 0 CBADRP C[C@]1(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CCC[NH2+]C1 ZINC000566496747 374331166 /nfs/dbraw/zinc/33/11/66/374331166.db2.gz TXJNDUNVXVJGHZ-MJVIPROJSA-N 2 0 280.372 -0.854 20 0 CBADRP C[C@]1(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CCC[NH2+]C1 ZINC000566496750 374331246 /nfs/dbraw/zinc/33/12/46/374331246.db2.gz TXJNDUNVXVJGHZ-WDMOLILDSA-N 2 0 280.372 -0.854 20 0 CBADRP CCN1CCN(C(=O)[C@H](C)[NH+]2CCC(O)(C[NH3+])CC2)CC1 ZINC000577875826 374342839 /nfs/dbraw/zinc/34/28/39/374342839.db2.gz CEVVQNWXBHQEHW-ZDUSSCGKSA-N 2 0 298.431 -0.675 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC[NH2+]C1 ZINC000583262913 374357306 /nfs/dbraw/zinc/35/73/06/374357306.db2.gz UYEHQAIWQYDPMA-ONGXEEELSA-N 2 0 277.315 -0.274 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[NH2+]CC1 ZINC000583321310 374361508 /nfs/dbraw/zinc/36/15/08/374361508.db2.gz ZGKRIUQTKNAVEL-NSHDSACASA-N 2 0 268.361 -0.933 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000583324870 374361659 /nfs/dbraw/zinc/36/16/59/374361659.db2.gz OJTSWEKAIIFGAL-RISCZKNCSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000583811620 374368097 /nfs/dbraw/zinc/36/80/97/374368097.db2.gz MMVXTVVIMLDGTM-JASNWFPJSA-N 2 0 267.373 -0.003 20 0 CBADRP C[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)[N@H+](C)C1CC1 ZINC000578051313 374349939 /nfs/dbraw/zinc/34/99/39/374349939.db2.gz MDHAVEFYLSMQSO-CMPLNLGQSA-N 2 0 270.377 -0.243 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3C[C@@H]3[NH3+])C2)nn1 ZINC000643801156 374430126 /nfs/dbraw/zinc/43/01/26/374430126.db2.gz DXXVRCNENBEMJX-AXFHLTTASA-N 2 0 264.333 -0.753 20 0 CBADRP COC[C@]1(CNC(=O)[C@H]2[NH2+]CC2(C)C)CCC[NH2+]1 ZINC000644125920 374490750 /nfs/dbraw/zinc/49/07/50/374490750.db2.gz BHGUOCYNVZLBRE-ZWNOBZJWSA-N 2 0 255.362 -0.131 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000644141891 374492428 /nfs/dbraw/zinc/49/24/28/374492428.db2.gz JTKAKMJYNBDTQP-DCAQKATOSA-N 2 0 259.325 -0.429 20 0 CBADRP C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000644562913 374595311 /nfs/dbraw/zinc/59/53/11/374595311.db2.gz IHFGZMRMKNRBKF-GOEBONIOSA-N 3 0 298.475 -0.085 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)C2(C)C[NH2+]C2)cn1 ZINC000645803392 374700201 /nfs/dbraw/zinc/70/02/01/374700201.db2.gz XEPVNKRNONBHTJ-UHFFFAOYSA-N 2 0 251.334 -0.007 20 0 CBADRP CC[NH+](CC)CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000645306376 374659658 /nfs/dbraw/zinc/65/96/58/374659658.db2.gz OKOMCBOVZLABFY-UHFFFAOYSA-N 2 0 268.365 -0.302 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC000645685022 374691917 /nfs/dbraw/zinc/69/19/17/374691917.db2.gz QZDWNIXBFGVCPR-LLVKDONJSA-N 2 0 280.376 -0.159 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000645685116 374692243 /nfs/dbraw/zinc/69/22/43/374692243.db2.gz VKPWEEUGIWVFRY-NWDGAFQWSA-N 2 0 292.387 -0.146 20 0 CBADRP CC(C)OCC[NH+]1CCC(NC(=O)COCC[NH3+])CC1 ZINC000646143247 374747163 /nfs/dbraw/zinc/74/71/63/374747163.db2.gz VTRMUFJRAKDTIK-UHFFFAOYSA-N 2 0 287.404 -0.033 20 0 CBADRP COCC[NH2+]CC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000646180855 374751135 /nfs/dbraw/zinc/75/11/35/374751135.db2.gz GKCKSOOVSJIGCH-UHFFFAOYSA-N 2 0 273.377 -0.551 20 0 CBADRP C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000646208009 374755525 /nfs/dbraw/zinc/75/55/25/374755525.db2.gz PHUDZXJBDZYGDD-ZYHUDNBSSA-N 2 0 255.362 -0.348 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000646216642 374759769 /nfs/dbraw/zinc/75/97/69/374759769.db2.gz LDCLIPSRZMRPAJ-NXEZZACHSA-N 2 0 256.350 -0.504 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CC2([NH3+])CCC2)C1 ZINC000645869485 374709549 /nfs/dbraw/zinc/70/95/49/374709549.db2.gz HFDAKVNUCOLAEX-LBPRGKRZSA-N 2 0 296.415 -0.039 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953290 374717502 /nfs/dbraw/zinc/71/75/02/374717502.db2.gz OAXXBVMMDODZJA-NWDGAFQWSA-N 2 0 255.362 -0.049 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@H]2C)C1 ZINC000645951642 374717648 /nfs/dbraw/zinc/71/76/48/374717648.db2.gz SATMMSDEGDRZQE-SRVKXCTJSA-N 2 0 255.362 -0.179 20 0 CBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)C3(C)C[NH2+]C3)C2)CC1 ZINC000645977970 374721509 /nfs/dbraw/zinc/72/15/09/374721509.db2.gz PAHIZAJTMUCCSD-LBPRGKRZSA-N 3 0 280.416 -0.119 20 0 CBADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000646009382 374726655 /nfs/dbraw/zinc/72/66/55/374726655.db2.gz GBADWKJXQVJBPH-KBPBESRZSA-N 2 0 296.415 -0.739 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000646012467 374727170 /nfs/dbraw/zinc/72/71/70/374727170.db2.gz POWKNZJSFVNJBG-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009581 374727505 /nfs/dbraw/zinc/72/75/05/374727505.db2.gz VMSMWESSEDXHBY-KGLIPLIRSA-N 2 0 298.431 -0.364 20 0 CBADRP CC(C)(C[NH3+])C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009338 374727597 /nfs/dbraw/zinc/72/75/97/374727597.db2.gz BEHRCSSFBXSJAD-ZDUSSCGKSA-N 2 0 298.431 -0.506 20 0 CBADRP CC(C)(C)[NH2+]CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000646050881 374736609 /nfs/dbraw/zinc/73/66/09/374736609.db2.gz RPKYLUIIXGVRDK-NSHDSACASA-N 2 0 284.404 -0.251 20 0 CBADRP [NH3+]Cc1cc(C(=O)NCCN2CC[NH2+]CC2)ccn1 ZINC000646630656 374795525 /nfs/dbraw/zinc/79/55/25/374795525.db2.gz GZLNPJWKPQYCLS-UHFFFAOYSA-N 2 0 263.345 -0.825 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000646635597 374796742 /nfs/dbraw/zinc/79/67/42/374796742.db2.gz TUZYRNGAJNIIKY-DYNIEEOBSA-N 2 0 267.373 -0.003 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000646635030 374797041 /nfs/dbraw/zinc/79/70/41/374797041.db2.gz RTJHPQUMIYQDHB-RYUDHWBXSA-N 2 0 263.345 -0.101 20 0 CBADRP O=C([C@H]1CC[NH2+]1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000646638575 374798374 /nfs/dbraw/zinc/79/83/74/374798374.db2.gz RYNUMGIVRGQNGA-VXGBXAGGSA-N 2 0 280.372 -0.981 20 0 CBADRP O=C(NC[C@@H]1CCCC[NH2+]1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000646651352 374799596 /nfs/dbraw/zinc/79/95/96/374799596.db2.gz XPSSOMBCTLTACD-NWDGAFQWSA-N 2 0 292.387 -0.098 20 0 CBADRP CC(C)([NH3+])CC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000646667605 374802284 /nfs/dbraw/zinc/80/22/84/374802284.db2.gz MJBKEAJWMLBHCY-SNVBAGLBSA-N 2 0 270.377 -0.573 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000646666029 374802381 /nfs/dbraw/zinc/80/23/81/374802381.db2.gz PSZRCLUPKXSXJU-STQMWFEESA-N 2 0 296.415 -0.168 20 0 CBADRP C[NH2+]CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000646680227 374803875 /nfs/dbraw/zinc/80/38/75/374803875.db2.gz ATXVABGVYZJLDS-GIPNMCIBSA-N 2 0 255.362 -0.146 20 0 CBADRP CN(CCC[NH3+])C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000646783922 374812320 /nfs/dbraw/zinc/81/23/20/374812320.db2.gz POTRHXKWCMDOPO-SNVBAGLBSA-N 2 0 256.350 -0.948 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000646803766 374816719 /nfs/dbraw/zinc/81/67/19/374816719.db2.gz PFSACXNKGHGCKD-SECBINFHSA-N 2 0 279.348 -0.705 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000646803770 374817378 /nfs/dbraw/zinc/81/73/78/374817378.db2.gz PXQJGFRNHMHNIW-QMMMGPOBSA-N 2 0 279.348 -0.849 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@H](C[NH3+])C1 ZINC000646833251 374822096 /nfs/dbraw/zinc/82/20/96/374822096.db2.gz XSAHSPCFHDRGCZ-MDZLAQPJSA-N 2 0 252.362 -0.913 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000646833187 374822390 /nfs/dbraw/zinc/82/23/90/374822390.db2.gz NIYBDIZYCRIQMU-HZSPNIEDSA-N 2 0 280.416 -0.277 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)CC2CC[NH2+]CC2)CCO1 ZINC000646843642 374825232 /nfs/dbraw/zinc/82/52/32/374825232.db2.gz LCWRMFBENLPUCZ-ZYHUDNBSSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000646844523 374825550 /nfs/dbraw/zinc/82/55/50/374825550.db2.gz VQMBLMLXCLLCLU-WHOHXGKFSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)COC2CCC([NH3+])CC2)CCO1 ZINC000646844187 374825968 /nfs/dbraw/zinc/82/59/68/374825968.db2.gz PQBOETZONWSQTN-YWPUVAFDSA-N 2 0 285.388 -0.153 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646336217 374770860 /nfs/dbraw/zinc/77/08/60/374770860.db2.gz LGVDKLZUZDGLOM-ZYHUDNBSSA-N 2 0 253.346 -0.425 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646336176 374771285 /nfs/dbraw/zinc/77/12/85/374771285.db2.gz KAMXUSDASAWSMX-SRVKXCTJSA-N 2 0 280.372 -0.935 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646336215 374771387 /nfs/dbraw/zinc/77/13/87/374771387.db2.gz LGVDKLZUZDGLOM-JQWIXIFHSA-N 2 0 253.346 -0.425 20 0 CBADRP CC(C)([NH3+])CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000646351270 374772887 /nfs/dbraw/zinc/77/28/87/374772887.db2.gz IAVAMPQCKNKRKP-LLVKDONJSA-N 2 0 254.378 -0.380 20 0 CBADRP [NH3+]CC1(CC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000646364575 374774445 /nfs/dbraw/zinc/77/44/45/374774445.db2.gz XAIKIVVAQMNVPF-LBPRGKRZSA-N 2 0 266.389 -0.379 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646384164 374775363 /nfs/dbraw/zinc/77/53/63/374775363.db2.gz FSYRBIFEJFWDKR-NWDGAFQWSA-N 2 0 282.388 -0.701 20 0 CBADRP [NH3+]CCOCC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000646385534 374776446 /nfs/dbraw/zinc/77/64/46/374776446.db2.gz WAZROMQWVZKAOU-VXGBXAGGSA-N 2 0 255.362 -0.190 20 0 CBADRP C[C@@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)[NH+](C)C ZINC000646427275 374777747 /nfs/dbraw/zinc/77/77/47/374777747.db2.gz XLCJCPFFEPYMSG-WDEREUQCSA-N 2 0 280.376 -0.290 20 0 CBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)COCC[NH3+] ZINC000646428224 374778176 /nfs/dbraw/zinc/77/81/76/374778176.db2.gz AQOGZSVSBDWWPC-LBPRGKRZSA-N 2 0 273.377 -0.469 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000646411977 374778299 /nfs/dbraw/zinc/77/82/99/374778299.db2.gz QFTWELLUFRSADO-GFCCVEGCSA-N 2 0 269.389 -0.053 20 0 CBADRP O=C(C[C@H]1CC[NH2+]C1)NCC[N@@H+]1CCCOCC1 ZINC000646504173 374782805 /nfs/dbraw/zinc/78/28/05/374782805.db2.gz XAPNLEBITKIYIS-GFCCVEGCSA-N 2 0 255.362 -0.176 20 0 CBADRP [NH3+]Cc1cc(C(=O)NCCCN2CC[NH2+]CC2)ccn1 ZINC000646575189 374790359 /nfs/dbraw/zinc/79/03/59/374790359.db2.gz NMRIEKLAKFWNQH-UHFFFAOYSA-N 2 0 277.372 -0.435 20 0 CBADRP C[C@@H]([NH3+])CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000647030715 374864742 /nfs/dbraw/zinc/86/47/42/374864742.db2.gz KJVMZKNQIWEQDP-BDAKNGLRSA-N 2 0 282.310 -0.324 20 0 CBADRP [NH3+]CCC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000647030843 374864916 /nfs/dbraw/zinc/86/49/16/374864916.db2.gz SHCYJDQRCKDAJS-QMMMGPOBSA-N 2 0 268.283 -0.713 20 0 CBADRP COC[C@]1(CNC(=O)C[C@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000647042184 374872146 /nfs/dbraw/zinc/87/21/46/374872146.db2.gz YODGKHYWXWPQBR-DGCLKSJQSA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@@H](CCCC[NH3+])NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000647051269 374875041 /nfs/dbraw/zinc/87/50/41/374875041.db2.gz HDIQFQRWNVRXLM-WDEREUQCSA-N 2 0 270.377 -0.512 20 0 CBADRP O=C(COC1CC[NH2+]CC1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058114 374878373 /nfs/dbraw/zinc/87/83/73/374878373.db2.gz NZAZRQDAHWWTJT-UWVGGRQHSA-N 2 0 259.325 -0.429 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000647080350 374880649 /nfs/dbraw/zinc/88/06/49/374880649.db2.gz ASOPEWRZZABJKX-SRVKXCTJSA-N 2 0 254.378 -0.606 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000647080353 374881448 /nfs/dbraw/zinc/88/14/48/374881448.db2.gz ASOPEWRZZABJKX-WOPDTQHZSA-N 2 0 254.378 -0.606 20 0 CBADRP [NH3+]CCOCC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000646969196 374852725 /nfs/dbraw/zinc/85/27/25/374852725.db2.gz RIPFPBJAFLCVNL-UHFFFAOYSA-N 2 0 251.330 -0.051 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000646978965 374856146 /nfs/dbraw/zinc/85/61/46/374856146.db2.gz ICZAXPDGUSETSR-UTUOFQBUSA-N 2 0 292.387 -0.242 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000646996728 374857447 /nfs/dbraw/zinc/85/74/47/374857447.db2.gz VRWAKMPUIHSCJS-GVXVVHGQSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@H]1CN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC[NH2+]1 ZINC000574549195 335028936 /nfs/dbraw/zinc/02/89/36/335028936.db2.gz PFDJJYYTIURDHW-IUCAKERBSA-N 2 0 262.304 -0.013 20 0 CBADRP CC[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)CC[C@H]1[NH3+] ZINC000647015233 374859886 /nfs/dbraw/zinc/85/98/86/374859886.db2.gz KUKDXCVVHMGSLB-ZYHUDNBSSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000647014966 374860560 /nfs/dbraw/zinc/86/05/60/374860560.db2.gz DQGXTNGIJWLKGV-AGIUHOORSA-N 2 0 296.415 -0.170 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000574584330 335032021 /nfs/dbraw/zinc/03/20/21/335032021.db2.gz FWAXYHDULXIWTM-GRYCIOLGSA-N 2 0 297.403 -0.543 20 0 CBADRP Cc1ccc([C@H](CNC(=O)CNC(=O)C[NH3+])[NH+](C)C)cc1 ZINC000262449671 190055522 /nfs/dbraw/zinc/05/55/22/190055522.db2.gz VTJWHMFYDWYQKT-ZDUSSCGKSA-N 2 0 292.383 -0.211 20 0 CBADRP Cc1ccc([C@@H](CNC(=O)CNC(=O)C[NH3+])[NH+](C)C)cc1 ZINC000262449670 190055738 /nfs/dbraw/zinc/05/57/38/190055738.db2.gz VTJWHMFYDWYQKT-CYBMUJFWSA-N 2 0 292.383 -0.211 20 0 CBADRP CNC(=O)CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000356235014 248218355 /nfs/dbraw/zinc/21/83/55/248218355.db2.gz ZVRGZZIIBQCBJV-UHFFFAOYSA-N 2 0 286.420 -0.146 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000356976636 248307186 /nfs/dbraw/zinc/30/71/86/248307186.db2.gz IWNYTPJAFQYUPP-UHFFFAOYSA-N 2 0 280.416 -0.070 20 0 CBADRP [NH3+]CCOCC[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000357025380 248310131 /nfs/dbraw/zinc/31/01/31/248310131.db2.gz GFEWWLUURBOHLE-UHFFFAOYSA-N 2 0 255.362 -0.048 20 0 CBADRP CNS(=O)(=O)CCCN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357065289 248317681 /nfs/dbraw/zinc/31/76/81/248317681.db2.gz ADNGHOWAZCOAPA-MNOVXSKESA-N 2 0 261.391 -0.533 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000357086254 248318702 /nfs/dbraw/zinc/31/87/02/248318702.db2.gz UGDMWBSFMMAMSK-CYBMUJFWSA-N 2 0 285.388 -0.325 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000357181127 248332157 /nfs/dbraw/zinc/33/21/57/248332157.db2.gz WPVQZGOBOPABBE-QWRGUYRKSA-N 2 0 270.377 -0.715 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000357246087 248341283 /nfs/dbraw/zinc/34/12/83/248341283.db2.gz XCQSIRSULNJGAZ-AWEZNQCLSA-N 2 0 298.431 -0.491 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000357294240 248346631 /nfs/dbraw/zinc/34/66/31/248346631.db2.gz JAVXURITWRKPNO-NRWUCQMLSA-N 2 0 296.415 -0.253 20 0 CBADRP CC[C@H]1CN(CCNC(=O)[C@H]2CN(CC)CCO2)CCO1 ZINC000357366771 248353966 /nfs/dbraw/zinc/35/39/66/248353966.db2.gz CINZCAKAOCVFJE-UONOGXRCSA-N 2 0 299.415 -0.066 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000368008205 248757153 /nfs/dbraw/zinc/75/71/53/248757153.db2.gz SXRFLDPJXCTAOD-FRRDWIJNSA-N 2 0 296.415 -0.312 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000367286385 248744747 /nfs/dbraw/zinc/74/47/47/248744747.db2.gz KGCQDNZBVKARPO-OCCSQVGLSA-N 2 0 267.373 -0.033 20 0 CBADRP COCC[C@@]1(C(=O)N(C)[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000373028950 248826249 /nfs/dbraw/zinc/82/62/49/248826249.db2.gz LLVXCORIWGISCF-AAEUAGOBSA-N 2 0 255.362 -0.177 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419730068 284626466 /nfs/dbraw/zinc/62/64/66/284626466.db2.gz IZBKRTLPHUCGKD-LLVKDONJSA-N 2 0 272.393 -0.584 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000653125535 412885110 /nfs/dbraw/zinc/88/51/10/412885110.db2.gz CXGXVHHKHRQYHL-RYUDHWBXSA-N 2 0 254.378 -0.382 20 0 CBADRP C[C@]1(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCC[NH2+]C1 ZINC000653129214 412885119 /nfs/dbraw/zinc/88/51/19/412885119.db2.gz BETIBCYMOFRUJJ-UBHSHLNASA-N 2 0 267.373 -0.272 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000653125536 412885414 /nfs/dbraw/zinc/88/54/14/412885414.db2.gz CXGXVHHKHRQYHL-VXGBXAGGSA-N 2 0 254.378 -0.382 20 0 CBADRP Cn1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(=O)n(C)c1=O ZINC000346851424 218035427 /nfs/dbraw/zinc/03/54/27/218035427.db2.gz JUNJJHXPTQSRIZ-DLOVCJGASA-N 2 0 278.356 -0.747 20 0 CBADRP Cn1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(=O)n(C)c1=O ZINC000346851425 218036043 /nfs/dbraw/zinc/03/60/43/218036043.db2.gz JUNJJHXPTQSRIZ-MVWJERBFSA-N 2 0 278.356 -0.747 20 0 CBADRP CC[NH2+]CC1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000347004602 218088245 /nfs/dbraw/zinc/08/82/45/218088245.db2.gz AFRHYWBKHVZQED-UHFFFAOYSA-N 2 0 294.399 -0.095 20 0 CBADRP COCCN1CC[N@H+](CC2CC[NH2+]CC2)CC1=O ZINC000346987115 218078694 /nfs/dbraw/zinc/07/86/94/218078694.db2.gz QAHNXVLQUPQBBE-UHFFFAOYSA-N 2 0 255.362 -0.223 20 0 CBADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000347659836 218311255 /nfs/dbraw/zinc/31/12/55/218311255.db2.gz CTDZUJQXKWHDTL-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000347660105 218311389 /nfs/dbraw/zinc/31/13/89/218311389.db2.gz SDWZQXTUULMSJX-LBPRGKRZSA-N 2 0 282.388 -0.593 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000347833144 218371096 /nfs/dbraw/zinc/37/10/96/218371096.db2.gz CRGBKTFHTDFEKF-LBPRGKRZSA-N 2 0 256.394 -0.311 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000423060940 284826588 /nfs/dbraw/zinc/82/65/88/284826588.db2.gz PWPTWFKITMWHBO-STQMWFEESA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000574754647 335044840 /nfs/dbraw/zinc/04/48/40/335044840.db2.gz GQIUNIARKVCXPI-HBNTYKKESA-N 2 0 257.382 -0.685 20 0 CBADRP CC[C@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)CC[N@@H+]1CCOC ZINC000168066345 207399281 /nfs/dbraw/zinc/39/92/81/207399281.db2.gz NSHPMLNDXLWDTC-UONOGXRCSA-N 2 0 299.415 -0.066 20 0 CBADRP C[NH2+]CCNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000417812148 207563966 /nfs/dbraw/zinc/56/39/66/207563966.db2.gz FEXVOOIYKAQTTL-LLVKDONJSA-N 2 0 260.407 -0.058 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418402941 207583590 /nfs/dbraw/zinc/58/35/90/207583590.db2.gz HQRUFIDZGVLWSO-UPJWGTAASA-N 2 0 283.420 -0.293 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CCO1 ZINC000418420423 207584532 /nfs/dbraw/zinc/58/45/32/207584532.db2.gz ZEFMRECUUVCWDZ-IJLUTSLNSA-N 2 0 270.377 -0.127 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCCCC2)C[C@H]1[NH3+] ZINC000418998001 207630958 /nfs/dbraw/zinc/63/09/58/207630958.db2.gz LWGUNJJFORCELM-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000419133596 207648076 /nfs/dbraw/zinc/64/80/76/207648076.db2.gz IWTHWXXNLBKCPG-NSHDSACASA-N 2 0 286.420 -0.195 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419142268 207649642 /nfs/dbraw/zinc/64/96/42/207649642.db2.gz VYUHRMNAXABXOG-JHJVBQTASA-N 2 0 296.415 -0.171 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419509247 207697890 /nfs/dbraw/zinc/69/78/90/207697890.db2.gz DUZUEKHERFONKV-RYUDHWBXSA-N 2 0 286.420 -0.068 20 0 CBADRP C[C@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000419549269 207706850 /nfs/dbraw/zinc/70/68/50/207706850.db2.gz SUKUBGGNEZAVPR-RYUDHWBXSA-N 2 0 298.431 -0.101 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000376720976 532985496 /nfs/dbraw/zinc/98/54/96/532985496.db2.gz OUQCVPNLKLMDNT-JQWIXIFHSA-N 2 0 259.325 -0.475 20 0 CBADRP C[C@@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000419544834 207704123 /nfs/dbraw/zinc/70/41/23/207704123.db2.gz LPONRZUBAFPXFV-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000419553296 207708250 /nfs/dbraw/zinc/70/82/50/207708250.db2.gz YMZVNQAUMLEIPH-MNOVXSKESA-N 2 0 286.420 -0.116 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419692823 207722023 /nfs/dbraw/zinc/72/20/23/207722023.db2.gz HRDGNIYUTXTDGN-VXGBXAGGSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419780881 207732471 /nfs/dbraw/zinc/73/24/71/207732471.db2.gz NGTFCECNIRJTGY-ZYHUDNBSSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000419880904 207752727 /nfs/dbraw/zinc/75/27/27/207752727.db2.gz VMEMBJORFLWUCG-GFCCVEGCSA-N 2 0 284.404 -0.440 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000423750582 207935755 /nfs/dbraw/zinc/93/57/55/207935755.db2.gz UGPHHPGWSVTRAG-STQMWFEESA-N 2 0 287.404 -0.081 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428186557 208082257 /nfs/dbraw/zinc/08/22/57/208082257.db2.gz WNYOFWNMNACZNY-NSHDSACASA-N 2 0 270.377 -0.750 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2CCC[NH2+]CC2)CC1 ZINC000428411532 208087275 /nfs/dbraw/zinc/08/72/75/208087275.db2.gz FHDJMTPLKIQPRZ-UHFFFAOYSA-N 2 0 268.405 -0.164 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000377806685 533025330 /nfs/dbraw/zinc/02/53/30/533025330.db2.gz ICBSMCJPCXZCDG-NEPJUHHUSA-N 2 0 257.378 -0.027 20 0 CBADRP COCC[NH+]1CCC(NC(=O)CCOC2C[NH2+]C2)CC1 ZINC000348987057 218786309 /nfs/dbraw/zinc/78/63/09/218786309.db2.gz DFJRRTIVNOOQMX-UHFFFAOYSA-N 2 0 285.388 -0.408 20 0 CBADRP COC(=O)[C@@H](C)C[N@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000429682888 208127361 /nfs/dbraw/zinc/12/73/61/208127361.db2.gz HLFOKVVCZVPJHR-LBPRGKRZSA-N 2 0 285.388 -0.109 20 0 CBADRP CN(C)C(=O)C[N@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000429671299 208129617 /nfs/dbraw/zinc/12/96/17/208129617.db2.gz NIKDZECRGWIGPI-UHFFFAOYSA-N 2 0 270.377 -0.830 20 0 CBADRP C[NH+]1CCC(CNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000349005124 218789881 /nfs/dbraw/zinc/78/98/81/218789881.db2.gz SJYUHAYZIBVWDH-UHFFFAOYSA-N 2 0 255.362 -0.177 20 0 CBADRP CC[NH+]1CCN(CC(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000429108478 208108948 /nfs/dbraw/zinc/10/89/48/208108948.db2.gz GXBMPVBVCIHYAN-ZDUSSCGKSA-N 2 0 268.405 -0.260 20 0 CBADRP [NH3+]C[C@H]1CCC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000430624726 208168966 /nfs/dbraw/zinc/16/89/66/208168966.db2.gz PEANERSUOIUKPM-GFCCVEGCSA-N 2 0 255.362 -0.094 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2CC[C@H]([NH2+]C)C2)CC1 ZINC000430631024 208169287 /nfs/dbraw/zinc/16/92/87/208169287.db2.gz ZNOZIOAIXJDTLP-ZDUSSCGKSA-N 2 0 268.405 -0.119 20 0 CBADRP CCCNC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430641005 208169430 /nfs/dbraw/zinc/16/94/30/208169430.db2.gz RWTPFAMPUBIUPT-ZDUSSCGKSA-N 2 0 296.415 -0.344 20 0 CBADRP [NH3+][C@@H]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000430623384 208169563 /nfs/dbraw/zinc/16/95/63/208169563.db2.gz NFLFKZBCEQMUMM-LLVKDONJSA-N 2 0 266.389 -0.238 20 0 CBADRP CC(C)N1CC[C@@H]([N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000430629329 208169684 /nfs/dbraw/zinc/16/96/84/208169684.db2.gz PWYKYFVINSOGLA-CHWSQXEVSA-N 2 0 296.415 -0.217 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000430636472 208170119 /nfs/dbraw/zinc/17/01/19/208170119.db2.gz JGNZRFZRUAMROK-WCQYABFASA-N 2 0 294.399 -0.463 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000430710416 208171176 /nfs/dbraw/zinc/17/11/76/208171176.db2.gz AMZOCTDKQGEPDD-OLZOCXBDSA-N 2 0 285.388 -0.408 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@@H]2C[NH2+]CCO2)CCOCC1 ZINC000430705665 208171528 /nfs/dbraw/zinc/17/15/28/208171528.db2.gz LTYIEQORKNVQNI-NSHDSACASA-N 2 0 271.361 -0.798 20 0 CBADRP C[NH+](C)[C@@]1(CNC(=O)[C@H]2C[NH2+]CCO2)CCSC1 ZINC000430681585 208171599 /nfs/dbraw/zinc/17/15/99/208171599.db2.gz CCDANHKUSOTMKF-ZYHUDNBSSA-N 2 0 273.402 -0.472 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)C[C@@H]2C[NH2+]CCO2)CCSC1 ZINC000430688006 208172455 /nfs/dbraw/zinc/17/24/55/208172455.db2.gz UCEGKEZPLDGUKA-YPMHNXCESA-N 2 0 287.429 -0.082 20 0 CBADRP COC1(C(=O)NCCCC[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000430716946 208175966 /nfs/dbraw/zinc/17/59/66/208175966.db2.gz UKRZVZMNUOAXEG-UHFFFAOYSA-N 2 0 299.415 -0.016 20 0 CBADRP COCC[NH2+]CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000368617143 285075306 /nfs/dbraw/zinc/07/53/06/285075306.db2.gz YLYOFDNVZHXWMF-SRVKXCTJSA-N 2 0 255.362 -0.192 20 0 CBADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1C[NH2+]CCO1 ZINC000430718599 208174480 /nfs/dbraw/zinc/17/44/80/208174480.db2.gz GYJSDMWILAOSBU-ZDUSSCGKSA-N 2 0 297.399 -0.264 20 0 CBADRP COCC[NH2+]CC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000178867465 285076041 /nfs/dbraw/zinc/07/60/41/285076041.db2.gz MSWFDDKMJSKANP-GHMZBOCLSA-N 2 0 255.362 -0.036 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000430718319 208174675 /nfs/dbraw/zinc/17/46/75/208174675.db2.gz BVVFDUBYIZOBMN-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP COCC[NH2+]CC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000178867476 285076498 /nfs/dbraw/zinc/07/64/98/285076498.db2.gz MSWFDDKMJSKANP-WDEREUQCSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)COC2C[NH2+]C2)C1 ZINC000430763922 208178336 /nfs/dbraw/zinc/17/83/36/208178336.db2.gz OZEYMPHHPNCUMH-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000430732320 208179667 /nfs/dbraw/zinc/17/96/67/208179667.db2.gz OZMWDHSFMBIHIO-GFCCVEGCSA-N 2 0 255.362 -0.177 20 0 CBADRP O=C([C@@H]1CC[NH2+]C1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000430796497 208182642 /nfs/dbraw/zinc/18/26/42/208182642.db2.gz ZBIZPGHLQMFMTH-CHWSQXEVSA-N 2 0 267.373 -0.223 20 0 CBADRP C[C@]1(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000430892998 208186282 /nfs/dbraw/zinc/18/62/82/208186282.db2.gz HKSRQXNSBPHIPA-WFASDCNBSA-N 2 0 296.415 -0.310 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000430903279 208190057 /nfs/dbraw/zinc/19/00/57/208190057.db2.gz HDDQHLYJSRVGSG-MNOVXSKESA-N 2 0 268.361 -0.948 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000430903750 208191060 /nfs/dbraw/zinc/19/10/60/208191060.db2.gz LAVCDRUCYUOPCF-RYUDHWBXSA-N 2 0 282.388 -0.416 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000430903751 208191094 /nfs/dbraw/zinc/19/10/94/208191094.db2.gz LAVCDRUCYUOPCF-VXGBXAGGSA-N 2 0 282.388 -0.416 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000430909661 208191653 /nfs/dbraw/zinc/19/16/53/208191653.db2.gz OSSFXTBZQUMNNW-ZDUSSCGKSA-N 2 0 285.388 -0.408 20 0 CBADRP COCC[NH2+]CCNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000418514762 285079165 /nfs/dbraw/zinc/07/91/65/285079165.db2.gz XNOZFQFDJIYQBI-GHMZBOCLSA-N 2 0 258.366 -0.386 20 0 CBADRP C[C@@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)N1CC[NH+](C)CC1 ZINC000431003947 208194729 /nfs/dbraw/zinc/19/47/29/208194729.db2.gz DQVROBSCNDSKGS-UONOGXRCSA-N 2 0 298.431 -0.493 20 0 CBADRP CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000430966474 208197185 /nfs/dbraw/zinc/19/71/85/208197185.db2.gz NUPPRLUYUBVLSH-JTQLQIEISA-N 2 0 268.361 -0.013 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)COC2C[NH2+]C2)CC1 ZINC000431008160 208198545 /nfs/dbraw/zinc/19/85/45/208198545.db2.gz XMHIBYGZGLYSRG-UHFFFAOYSA-N 2 0 284.404 -0.881 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000431023627 208199467 /nfs/dbraw/zinc/19/94/67/208199467.db2.gz SDKNQLMWLXEZGQ-VXGBXAGGSA-N 2 0 256.394 -0.278 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000431009966 208199494 /nfs/dbraw/zinc/19/94/94/208199494.db2.gz LQVUZNDVPYRNAV-VXGBXAGGSA-N 2 0 256.394 -0.278 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000431020766 208199566 /nfs/dbraw/zinc/19/95/66/208199566.db2.gz DKRVDQZKYHEQAL-KBPBESRZSA-N 2 0 298.431 -0.493 20 0 CBADRP COCC[NH2+]CC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000431021657 208199791 /nfs/dbraw/zinc/19/97/91/208199791.db2.gz AGNXDWPZYJVVID-PWSUYJOCSA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000431022085 208199861 /nfs/dbraw/zinc/19/98/61/208199861.db2.gz METWGLNOQMEYPH-GXTWGEPZSA-N 2 0 268.405 -0.262 20 0 CBADRP CCNC(=O)NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431015796 208199993 /nfs/dbraw/zinc/19/99/93/208199993.db2.gz XBDUUWTUAOXHOK-UHFFFAOYSA-N 2 0 268.361 -0.092 20 0 CBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C[NH2+]C)CC1 ZINC000431019373 208200062 /nfs/dbraw/zinc/20/00/62/208200062.db2.gz OKUMDYVGQJPJAB-LBPRGKRZSA-N 2 0 256.394 -0.404 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000431017345 208200259 /nfs/dbraw/zinc/20/02/59/208200259.db2.gz PUTKSEROVOFIJA-CHWSQXEVSA-N 2 0 287.404 -0.162 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)COC2C[NH2+]C2)C[N@@H+]1C1CC1 ZINC000431027847 208201251 /nfs/dbraw/zinc/20/12/51/208201251.db2.gz YSNMYMVRMDKEFH-VHSXEESVSA-N 2 0 253.346 -0.284 20 0 CBADRP COCC[NH+]1CCC(NC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000431054790 208202692 /nfs/dbraw/zinc/20/26/92/208202692.db2.gz FEEISUJCSFYNOQ-ZDUSSCGKSA-N 2 0 285.388 -0.408 20 0 CBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000432531146 208226693 /nfs/dbraw/zinc/22/66/93/208226693.db2.gz LQMLJBYLLQSROM-FRRDWIJNSA-N 2 0 267.373 -0.347 20 0 CBADRP C[C@H]1C(=O)NCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433117767 208238194 /nfs/dbraw/zinc/23/81/94/208238194.db2.gz ONZPTMGJFLCFRS-NSHDSACASA-N 2 0 282.388 -0.463 20 0 CBADRP CC[C@@H]1C(=O)NCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433133118 208239525 /nfs/dbraw/zinc/23/95/25/208239525.db2.gz CWLHPLOKGHAGAN-CYBMUJFWSA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C(N)=O ZINC000433128818 208239868 /nfs/dbraw/zinc/23/98/68/208239868.db2.gz XVHMNZYJJBTYPT-ZDUSSCGKSA-N 2 0 284.404 -0.184 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000434678687 208264396 /nfs/dbraw/zinc/26/43/96/208264396.db2.gz JNLIWCWHTDYBGQ-VXGBXAGGSA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000434668843 208265274 /nfs/dbraw/zinc/26/52/74/208265274.db2.gz DFPDTDGRGKBICF-TUAOUCFPSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CC[C@H](C)[NH3+] ZINC000434678685 208265578 /nfs/dbraw/zinc/26/55/78/208265578.db2.gz JNLIWCWHTDYBGQ-NWDGAFQWSA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000434676633 208265960 /nfs/dbraw/zinc/26/59/60/208265960.db2.gz SRJCMTKZQWQWOY-NEPJUHHUSA-N 2 0 256.394 -0.134 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCn1cncn1 ZINC000436063315 208288369 /nfs/dbraw/zinc/28/83/69/208288369.db2.gz KUADPHYHRMZRFS-LBPRGKRZSA-N 2 0 280.376 -0.402 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436287992 208289986 /nfs/dbraw/zinc/28/99/86/208289986.db2.gz DWAZKHQXXLWNBC-VNHYZAJKSA-N 2 0 280.416 -0.262 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000441616573 208351521 /nfs/dbraw/zinc/35/15/21/208351521.db2.gz UMRVIWQQISUXDC-LBPRGKRZSA-N 2 0 256.394 -0.275 20 0 CBADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000443065363 208378673 /nfs/dbraw/zinc/37/86/73/208378673.db2.gz ZRILHJMZQRVZJL-LLVKDONJSA-N 2 0 268.361 -0.994 20 0 CBADRP COCC[C@@]1(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC[NH2+]C1 ZINC000431004189 285155286 /nfs/dbraw/zinc/15/52/86/285155286.db2.gz IQJMDNRISQMSRP-ZFWWWQNUSA-N 2 0 298.431 -0.635 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419576787 285195111 /nfs/dbraw/zinc/19/51/11/285195111.db2.gz CHEVZSIFOQPHFU-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP O=C(NC1C[NH2+]C1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000574863200 335053046 /nfs/dbraw/zinc/05/30/46/335053046.db2.gz GSWUBTVBFSYDAY-CYBMUJFWSA-N 2 0 294.399 -0.449 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419985136 285232833 /nfs/dbraw/zinc/23/28/33/285232833.db2.gz WLGMHARYVVYOAJ-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000420141097 285256101 /nfs/dbraw/zinc/25/61/01/285256101.db2.gz JETFXMRYXBKURQ-YNEHKIRRSA-N 2 0 296.415 -0.299 20 0 CBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)CC[NH3+])CC1 ZINC000431025063 285320169 /nfs/dbraw/zinc/32/01/69/285320169.db2.gz XIZAESOXPQWKJY-GFCCVEGCSA-N 2 0 256.394 -0.275 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)CCOC1C[NH2+]C1)C(F)(F)F ZINC000575052861 335059652 /nfs/dbraw/zinc/05/96/52/335059652.db2.gz PBUOZMMZBLWMRB-MRVPVSSYSA-N 2 0 269.267 -0.239 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)CC[NH2+]C)CC1 ZINC000357226278 285335576 /nfs/dbraw/zinc/33/55/76/285335576.db2.gz OFNUTNJFHJEEOF-GFCCVEGCSA-N 2 0 256.394 -0.262 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000515058410 288859399 /nfs/dbraw/zinc/85/93/99/288859399.db2.gz RTYUHYRFUAFCIB-XQQFMLRXSA-N 2 0 266.389 -0.510 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420024274 289127897 /nfs/dbraw/zinc/12/78/97/289127897.db2.gz XWTYNGCUTASTHN-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCN1CC[NH2+]CC1 ZINC000333870192 297093545 /nfs/dbraw/zinc/09/35/45/297093545.db2.gz UNIZXWZSXYSMCN-ZIAGYGMSSA-N 2 0 295.431 -0.230 20 0 CBADRP COCC1(CNC(=O)[C@H]2CC23C[NH2+]C3)CC[NH2+]CC1 ZINC000375066247 292244822 /nfs/dbraw/zinc/24/48/22/292244822.db2.gz SSQZPLWFCOJXJM-LLVKDONJSA-N 2 0 267.373 -0.272 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000417760046 292337241 /nfs/dbraw/zinc/33/72/41/292337241.db2.gz XDKYOOPHYNLPPY-WDEREUQCSA-N 2 0 260.382 -0.010 20 0 CBADRP O=C([C@H]1CCC[NH2+]1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377563149 304431187 /nfs/dbraw/zinc/43/11/87/304431187.db2.gz MQWGGXRXCJCYDS-VXGBXAGGSA-N 2 0 252.362 -0.756 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)C[NH+]1CCCC1 ZINC000419838230 286856305 /nfs/dbraw/zinc/85/63/05/286856305.db2.gz XNMOTWSSNAXGJY-AAEUAGOBSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000419401009 298418760 /nfs/dbraw/zinc/41/87/60/298418760.db2.gz ADAVMQXJSKXBMN-GFCCVEGCSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000420028339 298536259 /nfs/dbraw/zinc/53/62/59/298536259.db2.gz MGHZUXLWPIBHNR-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CC[N@@H+]1C[C@@H](C)O ZINC000430696186 287136750 /nfs/dbraw/zinc/13/67/50/287136750.db2.gz IUNGYQVFXQQRRO-MCIONIFRSA-N 2 0 299.415 -0.332 20 0 CBADRP CCC[NH2+][C@@H](C)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662750900 413991823 /nfs/dbraw/zinc/99/18/23/413991823.db2.gz PHBZSLDHFOXCAY-QMMMGPOBSA-N 2 0 267.333 -0.355 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662754118 413994020 /nfs/dbraw/zinc/99/40/20/413994020.db2.gz DMZOPIWXBFLRBJ-FOUMNBMASA-N 2 0 267.373 -0.051 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000038978077 174160688 /nfs/dbraw/zinc/16/06/88/174160688.db2.gz UYHFFDZWQVUNTA-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP C[C@@H]1CCC[C@@](CNC(=O)CNC(=O)C[NH3+])([NH+](C)C)C1 ZINC000040670431 174368422 /nfs/dbraw/zinc/36/84/22/174368422.db2.gz NAHWFDNBSARNGV-BXUZGUMPSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H]1CCC[C@@](CNC(=O)CNC(=O)C[NH3+])([NH+](C)C)C1 ZINC000040670434 174368424 /nfs/dbraw/zinc/36/84/24/174368424.db2.gz NAHWFDNBSARNGV-SMDDNHRTSA-N 2 0 284.404 -0.312 20 0 CBADRP CC1CC[NH+](CCNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000043800554 175106266 /nfs/dbraw/zinc/10/62/66/175106266.db2.gz QRACFSJSBZSULL-LBPRGKRZSA-N 2 0 255.362 -0.177 20 0 CBADRP CC1(C)NC(=O)N(CC[NH+]2CCC(C[NH3+])CC2)C1=O ZINC000044513541 175188843 /nfs/dbraw/zinc/18/88/43/175188843.db2.gz RIDBGYLAPWQJAX-UHFFFAOYSA-N 2 0 268.361 -0.013 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000575138800 335071855 /nfs/dbraw/zinc/07/18/55/335071855.db2.gz NADMBTCLKNPDTO-WDEREUQCSA-N 2 0 291.355 -0.059 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000063180305 175684041 /nfs/dbraw/zinc/68/40/41/175684041.db2.gz OOIADNXEABPUSA-CYBMUJFWSA-N 2 0 284.404 -0.895 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000353460135 287318753 /nfs/dbraw/zinc/31/87/53/287318753.db2.gz NWEJSSRXKUIKRF-AVGNSLFASA-N 2 0 268.405 -0.264 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000089700146 544436543 /nfs/dbraw/zinc/43/65/43/544436543.db2.gz UFHDZIRHLQFHST-NSHDSACASA-N 2 0 280.376 -0.303 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)c1cn(CC[NH3+])nn1 ZINC000089700552 544436560 /nfs/dbraw/zinc/43/65/60/544436560.db2.gz TTYAXVKNXPISMW-SECBINFHSA-N 2 0 254.338 -0.693 20 0 CBADRP CCCN(CC[NH+](C)C)C(=O)c1cn(CC[NH3+])nn1 ZINC000089700811 544437232 /nfs/dbraw/zinc/43/72/32/544437232.db2.gz AGYAROATVBFJDQ-UHFFFAOYSA-N 2 0 268.365 -0.349 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)c1cn(CC[NH3+])nn1 ZINC000089700807 544437874 /nfs/dbraw/zinc/43/78/74/544437874.db2.gz HOXKNRFKXWMVSO-SNVBAGLBSA-N 2 0 268.365 -0.303 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)nn1 ZINC000089709154 544438424 /nfs/dbraw/zinc/43/84/24/544438424.db2.gz QRCVHZNHSVBLMQ-LBPRGKRZSA-N 2 0 292.387 -0.063 20 0 CBADRP O=C(C(=O)N1CCC[NH2+]CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094463776 544444401 /nfs/dbraw/zinc/44/44/01/544444401.db2.gz GZFVXSQGJTYAIF-GFCCVEGCSA-N 2 0 280.372 -0.885 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)COC2(C)C[NH2+]C2)C1 ZINC000098061728 544446801 /nfs/dbraw/zinc/44/68/01/544446801.db2.gz UQMBKRMGEKSLDD-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP O=C(N1CC[NH2+]CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243738 544448567 /nfs/dbraw/zinc/44/85/67/544448567.db2.gz MMLFAKAPMZYPTN-VIFPVBQESA-N 2 0 251.252 -0.040 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CC1([NH3+])CCC1 ZINC000226900638 544493067 /nfs/dbraw/zinc/49/30/67/544493067.db2.gz HRFHNNFAKVDVID-NSHDSACASA-N 2 0 254.378 -0.380 20 0 CBADRP CC(=O)N[C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000228271480 544496834 /nfs/dbraw/zinc/49/68/34/544496834.db2.gz YWRDYTMZEKZMNZ-LBPRGKRZSA-N 2 0 268.361 -0.981 20 0 CBADRP Cn1nccc1CC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000230774604 544502195 /nfs/dbraw/zinc/50/21/95/544502195.db2.gz PXWQOYUYGYLRJM-UHFFFAOYSA-N 2 0 251.378 -0.200 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cn(CC[NH3+])nn3)CC[C@@H]21 ZINC000166615142 544477009 /nfs/dbraw/zinc/47/70/09/544477009.db2.gz FYTXDVQKGCIAFT-YPMHNXCESA-N 2 0 292.387 -0.207 20 0 CBADRP Cn1nccc1CC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000230774561 544501789 /nfs/dbraw/zinc/50/17/89/544501789.db2.gz SWTICSXYLKHFSX-LBPRGKRZSA-N 2 0 279.388 -0.251 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCOC2(C[NH2+]C2)C1 ZINC000333949262 544546328 /nfs/dbraw/zinc/54/63/28/544546328.db2.gz XCKFCNJJALXWCX-STQMWFEESA-N 2 0 294.399 -0.003 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N1CC[NH+](CC2CC2)CC1 ZINC000333806527 544546647 /nfs/dbraw/zinc/54/66/47/544546647.db2.gz IOLFPRBQOWTVCN-UHFFFAOYSA-N 2 0 295.431 -0.371 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000236871917 544506589 /nfs/dbraw/zinc/50/65/89/544506589.db2.gz ZWTNALVODLJENX-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC(C[NH3+])CC2)CC1=O ZINC000237161540 544508634 /nfs/dbraw/zinc/50/86/34/544508634.db2.gz SIPCVNZVZLWBKH-CYBMUJFWSA-N 2 0 296.415 -0.406 20 0 CBADRP [NH3+]C1(C(=O)NCCCN2CC[NH2+]CC2)CCCC1 ZINC000237788421 544509193 /nfs/dbraw/zinc/50/91/93/544509193.db2.gz KUOGMIVVGPQCSQ-UHFFFAOYSA-N 2 0 254.378 -0.331 20 0 CBADRP O=C(CCC1CC[NH2+]CC1)NCCN1CC[NH2+]CC1 ZINC000237955439 544509645 /nfs/dbraw/zinc/50/96/45/544509645.db2.gz ASCGZIOMQSYJOD-UHFFFAOYSA-N 2 0 268.405 -0.212 20 0 CBADRP C[C@@H]1CCN(C(=O)CCOC2C[NH2+]C2)[C@H](C[NH3+])C1 ZINC000261767532 544515882 /nfs/dbraw/zinc/51/58/82/544515882.db2.gz KELSWOPXXJGXAY-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP COC[C@H](C)OC[C@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000300263595 544526497 /nfs/dbraw/zinc/52/64/97/544526497.db2.gz WGEDLTNXDPNGPQ-UMSGYPCISA-N 2 0 258.362 -0.450 20 0 CBADRP CC(=O)N[C@@H]1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000310909186 544529172 /nfs/dbraw/zinc/52/91/72/544529172.db2.gz QLMUWIFSBLZGBP-OLZOCXBDSA-N 2 0 257.378 -0.102 20 0 CBADRP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)CN1CCOCC1 ZINC000037904520 419411882 /nfs/dbraw/zinc/41/18/82/419411882.db2.gz GXPFBIYMZJFGOE-HIFRSBDPSA-N 2 0 283.416 -0.247 20 0 CBADRP CC(C)(CNC(=O)CN1CC[NH2+]CC1)N1CCOCC1 ZINC000040805286 419419964 /nfs/dbraw/zinc/41/99/64/419419964.db2.gz SMPSOTWRKAFMRU-UHFFFAOYSA-N 2 0 284.404 -0.881 20 0 CBADRP Cc1nc(N)nc(N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)n1 ZINC000631314826 419477263 /nfs/dbraw/zinc/47/72/63/419477263.db2.gz SSGMAKQBJADWFN-DTWKUNHWSA-N 2 0 266.349 -0.346 20 0 CBADRP O=C(NCCC[NH2+]Cc1cccnc1)[C@@H]1C[NH2+]CCO1 ZINC000120890758 419488549 /nfs/dbraw/zinc/48/85/49/419488549.db2.gz OJWAXNHTZXCUBS-ZDUSSCGKSA-N 2 0 278.356 -0.334 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000043800473 419431318 /nfs/dbraw/zinc/43/13/18/419431318.db2.gz RZOOXJAWUVGCSX-NEPJUHHUSA-N 2 0 255.362 -0.179 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973172 419458790 /nfs/dbraw/zinc/45/87/90/419458790.db2.gz RIGAMKIOPYMYTJ-ZDUSSCGKSA-N 2 0 266.389 -0.412 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000068807455 419461898 /nfs/dbraw/zinc/46/18/98/419461898.db2.gz GQXHIRJALSLZBH-TUAOUCFPSA-N 2 0 256.394 -0.278 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CCC(C)(C)[NH3+] ZINC000070088567 419462140 /nfs/dbraw/zinc/46/21/40/419462140.db2.gz RYMJIRXSDDWGNK-NSHDSACASA-N 2 0 256.394 -0.134 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000063123887 419462713 /nfs/dbraw/zinc/46/27/13/419462713.db2.gz DIMKAZHFTJZRQQ-LBPRGKRZSA-N 2 0 255.362 -0.225 20 0 CBADRP C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CC[NH2+]C3)ccn2)CC1 ZINC000127663272 419493677 /nfs/dbraw/zinc/49/36/77/419493677.db2.gz MIIGAKIJJYWCAX-CYBMUJFWSA-N 2 0 289.383 -0.075 20 0 CBADRP COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661143614 419471135 /nfs/dbraw/zinc/47/11/35/419471135.db2.gz UZNUSLSSFHQODT-ZIAGYGMSSA-N 2 0 297.403 -0.461 20 0 CBADRP CC[C@@H](C(=O)Nc1nn(C)c(C)c1C[NH3+])[NH+](C)C ZINC000638403508 419530432 /nfs/dbraw/zinc/53/04/32/419530432.db2.gz UJQLXSLAJSVCMO-JTQLQIEISA-N 2 0 253.350 0.466 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC([NH+](C)C)CC1 ZINC000388778735 544576516 /nfs/dbraw/zinc/57/65/16/544576516.db2.gz MUFNISUSOSEDGD-AWEZNQCLSA-N 2 0 273.421 -0.049 20 0 CBADRP C[C@H](C(=O)N(C)C)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662157886 419548914 /nfs/dbraw/zinc/54/89/14/419548914.db2.gz SQRCIQQJWYPWQB-YPMHNXCESA-N 2 0 269.389 -0.006 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)C1 ZINC000389740410 544576585 /nfs/dbraw/zinc/57/65/85/544576585.db2.gz NUVWJDYYYCOOGV-QJPTWQEYSA-N 2 0 255.362 -0.036 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394370845 544579249 /nfs/dbraw/zinc/57/92/49/544579249.db2.gz DHYRFSUFMQSAQR-VXGBXAGGSA-N 2 0 254.378 -0.652 20 0 CBADRP COC[C@@H](C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])OC ZINC000662271679 419568528 /nfs/dbraw/zinc/56/85/28/419568528.db2.gz IKQFALGCOHASSY-CHWSQXEVSA-N 2 0 287.404 -0.033 20 0 CBADRP CN1CCC[C@@H]([N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000662245213 419557409 /nfs/dbraw/zinc/55/74/09/419557409.db2.gz RZZIMJLYIOXLTG-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP O=C([C@H]1CCC[N@H+](C[C@@H]2CNCCO2)C1)N1CC[NH2+]CC1 ZINC000662243510 419559246 /nfs/dbraw/zinc/55/92/46/419559246.db2.gz MKUZDCKRDNITRL-KBPBESRZSA-N 2 0 296.415 -0.881 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662262943 419568665 /nfs/dbraw/zinc/56/86/65/419568665.db2.gz YLDVTRUSECFPTM-AWEZNQCLSA-N 2 0 298.431 -0.539 20 0 CBADRP CCC[N@@H+](CC(=O)NC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253167 419561520 /nfs/dbraw/zinc/56/15/20/419561520.db2.gz RYAFXNPUOKOZJJ-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP NC(=O)[C@H]1CCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249492 419562054 /nfs/dbraw/zinc/56/20/54/419562054.db2.gz VNTYVWRICIJQHY-WDEREUQCSA-N 2 0 253.346 -0.153 20 0 CBADRP NC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249491 419562314 /nfs/dbraw/zinc/56/23/14/419562314.db2.gz VNTYVWRICIJQHY-QWRGUYRKSA-N 2 0 253.346 -0.153 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000644113990 419563833 /nfs/dbraw/zinc/56/38/33/419563833.db2.gz YTYNNBUQTCCDAE-KOLCDFICSA-N 2 0 263.345 0.354 20 0 CBADRP CC[N@H+](CCNC(=O)COC1(C)C[NH2+]C1)C1CC1 ZINC000219043892 419563983 /nfs/dbraw/zinc/56/39/83/419563983.db2.gz ISMKJIQHASEIGQ-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[N@@H+](CC(=O)N(C)C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250676 419564352 /nfs/dbraw/zinc/56/43/52/419564352.db2.gz LQXXIOMWPHLCIR-NSHDSACASA-N 2 0 255.362 -0.083 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)CN1CC[NH2+]CC1 ZINC000220109827 419565220 /nfs/dbraw/zinc/56/52/20/419565220.db2.gz CRQGWOHSKOOLPG-LBPRGKRZSA-N 2 0 256.394 -0.262 20 0 CBADRP CC(C)(CO)[NH+]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662263555 419565589 /nfs/dbraw/zinc/56/55/89/419565589.db2.gz MZRPMFMDOZCQJI-ZDUSSCGKSA-N 2 0 283.416 -0.104 20 0 CBADRP Cn1nc2c(cc1=O)C[N@@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662257850 419565653 /nfs/dbraw/zinc/56/56/53/419565653.db2.gz SCVNGQVUXIQTFQ-LBPRGKRZSA-N 2 0 290.367 -0.341 20 0 CBADRP CC(C)(C)[C@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)C(N)=O ZINC000662259149 419566930 /nfs/dbraw/zinc/56/69/30/419566930.db2.gz QWDLISKBBQWIAS-NXEZZACHSA-N 2 0 255.362 -0.003 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)c1cn(CC[NH3+])nn1 ZINC000662538231 419633250 /nfs/dbraw/zinc/63/32/50/419633250.db2.gz LNVSDOHLAOPENS-UHFFFAOYSA-N 2 0 266.349 -0.597 20 0 CBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394374189 544579632 /nfs/dbraw/zinc/57/96/32/544579632.db2.gz RXUHDJJUNFUHNP-AGIUHOORSA-N 2 0 268.405 -0.134 20 0 CBADRP [NH3+]CCn1cc(C(=O)NCC[N@H+]2CC=CCC2)nn1 ZINC000392822154 544579708 /nfs/dbraw/zinc/57/97/08/544579708.db2.gz RRACUFKWECJSJC-UHFFFAOYSA-N 2 0 264.333 -0.772 20 0 CBADRP C[NH+](C)CCN(C(=O)c1cn(CC[NH3+])nn1)C1CC1 ZINC000662542643 419635663 /nfs/dbraw/zinc/63/56/63/419635663.db2.gz RCXGTWDNFMVUHV-UHFFFAOYSA-N 2 0 266.349 -0.597 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000236872488 419570934 /nfs/dbraw/zinc/57/09/34/419570934.db2.gz BAJKPYRYPDIVQK-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP COC1(CO)CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662284944 419570981 /nfs/dbraw/zinc/57/09/81/419570981.db2.gz RWRCZIDEFJARNW-LBPRGKRZSA-N 2 0 270.373 -0.019 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000236872737 419571592 /nfs/dbraw/zinc/57/15/92/419571592.db2.gz IAOQWIANPMCEPR-GFCCVEGCSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@@]1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CCC[NH2+]C1 ZINC000394381766 544580352 /nfs/dbraw/zinc/58/03/52/544580352.db2.gz SWLUYRFYIOUCHI-DZGCQCFKSA-N 2 0 280.416 -0.118 20 0 CBADRP CNC(=O)CCC[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662278933 419571845 /nfs/dbraw/zinc/57/18/45/419571845.db2.gz OAIVQVOOVAQJCD-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP CN1CCC[C@@H]([N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1=O ZINC000662277522 419572453 /nfs/dbraw/zinc/57/24/53/419572453.db2.gz VODMYMPWKOBIHS-CHWSQXEVSA-N 2 0 266.389 -0.413 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000236870599 419573454 /nfs/dbraw/zinc/57/34/54/419573454.db2.gz DYDGEDGVGSQDJH-LBPRGKRZSA-N 2 0 254.378 -0.556 20 0 CBADRP [NH3+]CCCCC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394381425 544580574 /nfs/dbraw/zinc/58/05/74/544580574.db2.gz MAYCGBBTMVEUED-LBPRGKRZSA-N 2 0 254.378 -0.379 20 0 CBADRP [NH3+]C[C@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)CCCO1 ZINC000662283028 419574350 /nfs/dbraw/zinc/57/43/50/419574350.db2.gz ZQCINTITQDDMLL-NEPJUHHUSA-N 3 0 255.362 -0.443 20 0 CBADRP CN1CCC[C@@H]([N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000662281931 419574823 /nfs/dbraw/zinc/57/48/23/419574823.db2.gz MOVXVMRYNXSVQY-CHWSQXEVSA-N 2 0 292.387 -0.006 20 0 CBADRP C[C@H]1C(=O)NCCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662280048 419575563 /nfs/dbraw/zinc/57/55/63/419575563.db2.gz XMZBODNTZSGFLV-WDEREUQCSA-N 2 0 253.346 -0.282 20 0 CBADRP [NH3+]CCN(Cc1cccc2c1CC[NH2+]C2)C[C@@H](O)CO ZINC000662285425 419575682 /nfs/dbraw/zinc/57/56/82/419575682.db2.gz APZOSLZLCVUQBY-CQSZACIVSA-N 2 0 279.384 -0.554 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(C)(C)[NH3+] ZINC000237017117 419576272 /nfs/dbraw/zinc/57/62/72/419576272.db2.gz WNFVVICUYHNVHQ-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394384397 544580962 /nfs/dbraw/zinc/58/09/62/544580962.db2.gz JCWJRBQURFFMLA-QWHCGFSZSA-N 2 0 266.389 -0.365 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394381429 544581139 /nfs/dbraw/zinc/58/11/39/544581139.db2.gz RTENYEQVCAVWAB-STQMWFEESA-N 2 0 298.456 -0.412 20 0 CBADRP [NH3+]CC12CC(C1)CN2CCC(=O)N1CC[NH2+]CC1 ZINC000662304402 419579854 /nfs/dbraw/zinc/57/98/54/419579854.db2.gz RFUMBVFJWNQLBQ-UHFFFAOYSA-N 2 0 252.362 -0.769 20 0 CBADRP [NH3+]CCN(CCC[NH+]1CCCCC1)C[C@@H](O)CO ZINC000662289178 419580372 /nfs/dbraw/zinc/58/03/72/419580372.db2.gz XDIUQMVMHYPXIH-CYBMUJFWSA-N 2 0 259.394 -0.524 20 0 CBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000662296611 419582213 /nfs/dbraw/zinc/58/22/13/419582213.db2.gz TZDMDVMBHVIXHM-RYUDHWBXSA-N 2 0 253.350 -0.430 20 0 CBADRP C[NH+](C)CCC[C@H]1CN(CCN2CC[NH2+]CC2)CCO1 ZINC000662326838 419584025 /nfs/dbraw/zinc/58/40/25/419584025.db2.gz DKJTWILYKVLRHX-HNNXBMFYSA-N 2 0 284.448 -0.066 20 0 CBADRP [NH3+][C@@H]1CN(CCC(=O)N2CC[NH2+]CC2)CC[C@H]1F ZINC000662321824 419586498 /nfs/dbraw/zinc/58/64/98/419586498.db2.gz DTJHYQHSNPJWPJ-GHMZBOCLSA-N 2 0 258.341 -0.821 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000662315602 419586776 /nfs/dbraw/zinc/58/67/76/419586776.db2.gz GSHGOUBBYCARGC-GFCCVEGCSA-N 2 0 255.362 -0.094 20 0 CBADRP C[C@@]12COC[C@@H]1C[N@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000662310724 419587431 /nfs/dbraw/zinc/58/74/31/419587431.db2.gz MQYKCAXPDVOWBI-GXTWGEPZSA-N 2 0 267.373 -0.223 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662388309 419592023 /nfs/dbraw/zinc/59/20/23/419592023.db2.gz PJQWJKYHNSDRMU-NSHDSACASA-N 2 0 280.376 -0.302 20 0 CBADRP Nc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cn1 ZINC000647489670 419594280 /nfs/dbraw/zinc/59/42/80/419594280.db2.gz WMPKLHTWZGWKKV-LBPRGKRZSA-N 2 0 277.372 -0.049 20 0 CBADRP CC[C@@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@H]1[NH3+] ZINC000647498695 419594911 /nfs/dbraw/zinc/59/49/11/419594911.db2.gz NHNURCYSRAADGS-ZYHUDNBSSA-N 2 0 280.372 -0.357 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)C1([NH2+]C2CC2)CCC1 ZINC000662401569 419595606 /nfs/dbraw/zinc/59/56/06/419595606.db2.gz WVRYDRQYDDPPQW-UHFFFAOYSA-N 2 0 266.389 -0.318 20 0 CBADRP [NH3+]C1(CC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000662402082 419596114 /nfs/dbraw/zinc/59/61/14/419596114.db2.gz WHXAQPWLXMZSMU-GFCCVEGCSA-N 2 0 294.399 -0.462 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662404300 419596379 /nfs/dbraw/zinc/59/63/79/419596379.db2.gz NOATWHWEKXWYDK-DCAQKATOSA-N 2 0 268.361 -0.963 20 0 CBADRP C[C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000662419326 419598397 /nfs/dbraw/zinc/59/83/97/419598397.db2.gz ZGRYOQLWAFINGN-ZJUUUORDSA-N 2 0 263.345 -0.080 20 0 CBADRP C[C@H]1CN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000662419324 419599569 /nfs/dbraw/zinc/59/95/69/419599569.db2.gz ZGRYOQLWAFINGN-UWVGGRQHSA-N 2 0 263.345 -0.080 20 0 CBADRP C[C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000662419323 419599751 /nfs/dbraw/zinc/59/97/51/419599751.db2.gz ZGRYOQLWAFINGN-NXEZZACHSA-N 2 0 263.345 -0.080 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662412011 419600013 /nfs/dbraw/zinc/60/00/13/419600013.db2.gz ZRZIBIGZEPZECR-UHFFFAOYSA-N 2 0 254.338 -0.645 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662425572 419601523 /nfs/dbraw/zinc/60/15/23/419601523.db2.gz JXCCFEMKLLRGGF-KXNHARMFSA-N 2 0 253.346 -0.297 20 0 CBADRP CN1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)[C@@H](C[NH3+])C1 ZINC000662430449 419601610 /nfs/dbraw/zinc/60/16/10/419601610.db2.gz XMDGDCRXAVMXII-VIFPVBQESA-N 2 0 281.360 -0.417 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000662425858 419602357 /nfs/dbraw/zinc/60/23/57/419602357.db2.gz KCKFZFOZTMQIEQ-QMMMGPOBSA-N 2 0 267.337 -0.849 20 0 CBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cn(CC[NH3+])nn1 ZINC000662429583 419602512 /nfs/dbraw/zinc/60/25/12/419602512.db2.gz VUGFPSICDSVBAS-JTQLQIEISA-N 2 0 268.365 -0.318 20 0 CBADRP [NH3+][C@@H](C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)C1CCC1 ZINC000399074257 544584120 /nfs/dbraw/zinc/58/41/20/544584120.db2.gz OUSZZTOXHXDZNO-QWHCGFSZSA-N 2 0 266.389 -0.380 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000662444460 419605038 /nfs/dbraw/zinc/60/50/38/419605038.db2.gz IUQYMBWWBHWXNX-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000647540387 419605350 /nfs/dbraw/zinc/60/53/50/419605350.db2.gz MZIDIMQEWYNRTF-AGIUHOORSA-N 2 0 286.395 -0.185 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2[NH2+]CCC2(C)C)CCO1 ZINC000662433220 419606301 /nfs/dbraw/zinc/60/63/01/419606301.db2.gz YKIVUDNWJABYTJ-AXFHLTTASA-N 2 0 255.362 -0.051 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000662430974 419606393 /nfs/dbraw/zinc/60/63/93/419606393.db2.gz FWIAOBDIENOVCW-VWYCJHECSA-N 2 0 259.350 -0.687 20 0 CBADRP C(CN1CC[NH2+]CC1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647547047 419606926 /nfs/dbraw/zinc/60/69/26/419606926.db2.gz LXSKWNUVCPFIKK-MGPQQGTHSA-N 3 0 252.406 -0.131 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000662449915 419609090 /nfs/dbraw/zinc/60/90/90/419609090.db2.gz YSLXQOPRZYHJKE-NEPJUHHUSA-N 2 0 256.394 -0.264 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000662449918 419609767 /nfs/dbraw/zinc/60/97/67/419609767.db2.gz YSLXQOPRZYHJKE-VXGBXAGGSA-N 2 0 256.394 -0.264 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000662464079 419614412 /nfs/dbraw/zinc/61/44/12/419614412.db2.gz KQKIZMGZLNZFHI-VXGBXAGGSA-N 2 0 256.394 -0.264 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000662552603 419640650 /nfs/dbraw/zinc/64/06/50/419640650.db2.gz KHRWKTFPDSZGHU-SNVBAGLBSA-N 2 0 266.349 -0.549 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000662560515 419640709 /nfs/dbraw/zinc/64/07/09/419640709.db2.gz FWZVJLXDVKIJNE-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(C)[NH2+]CC(=O)NCCC[NH+]1CCC(O)CC1 ZINC000662526158 419628925 /nfs/dbraw/zinc/62/89/25/419628925.db2.gz SXLRVPPHABPFFA-UHFFFAOYSA-N 2 0 257.378 -0.053 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)C[NH2+]C(C)C)CC1 ZINC000662525932 419629531 /nfs/dbraw/zinc/62/95/31/419629531.db2.gz MGQSOXIZECTAGI-UHFFFAOYSA-N 2 0 256.394 -0.262 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662518728 419630114 /nfs/dbraw/zinc/63/01/14/419630114.db2.gz JJLBIRANCPDLRU-WOPDTQHZSA-N 2 0 255.362 -0.051 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000662517747 419630128 /nfs/dbraw/zinc/63/01/28/419630128.db2.gz XTGSYQXFPILXDG-OLZOCXBDSA-N 2 0 284.404 -0.755 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)O1 ZINC000662514019 419630283 /nfs/dbraw/zinc/63/02/83/419630283.db2.gz JHQHJSXLPKNEAP-YVECIDJPSA-N 2 0 267.373 -0.084 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000647643900 419630376 /nfs/dbraw/zinc/63/03/76/419630376.db2.gz ZFEWXNDLPXPAPW-AWEZNQCLSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)O1 ZINC000662519444 419631208 /nfs/dbraw/zinc/63/12/08/419631208.db2.gz QRAPFYCMTUYUDH-DDHJBXDOSA-N 2 0 253.346 -0.426 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2C[C@H](C)[C@H]([NH3+])C2)CC1 ZINC000331503647 419661795 /nfs/dbraw/zinc/66/17/95/419661795.db2.gz SLOUMKIVZZUBGI-QWHCGFSZSA-N 2 0 296.415 -0.265 20 0 CBADRP Nc1cc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)ccn1 ZINC000647828789 419665197 /nfs/dbraw/zinc/66/51/97/419665197.db2.gz FQPWTXYYXSTCMB-LBPRGKRZSA-N 2 0 277.372 -0.049 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NCC2([NH3+])CCCC2)nn1 ZINC000662648169 419667728 /nfs/dbraw/zinc/66/77/28/419667728.db2.gz GIRWNYVYOKCJQY-UHFFFAOYSA-N 2 0 266.349 -0.372 20 0 CBADRP C[C@H]1CN(CC[N@H+](C)CCN2CC[NH2+]CC2)CCO1 ZINC000647836183 419668351 /nfs/dbraw/zinc/66/83/51/419668351.db2.gz JMTOCHZJQKNXRG-AWEZNQCLSA-N 2 0 270.421 -0.456 20 0 CBADRP COCC[NH2+]CCNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662764827 419714387 /nfs/dbraw/zinc/71/43/87/419714387.db2.gz SDNGOKPUCUGLCJ-UHFFFAOYSA-N 2 0 270.333 -0.166 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)C1(O)C[NH2+]C1)c1ccccc1 ZINC000662661178 419672677 /nfs/dbraw/zinc/67/26/77/419672677.db2.gz LZWROKJRUCWHLT-LBPRGKRZSA-N 2 0 263.341 -0.260 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[C@H]1CC[NH2+]C1 ZINC000662659981 419673952 /nfs/dbraw/zinc/67/39/52/419673952.db2.gz RLBMWJFFYGSWJW-GFCCVEGCSA-N 2 0 284.404 -0.536 20 0 CBADRP COc1cccc([C@@H](CNC(=O)C2(O)C[NH2+]C2)[NH+](C)C)c1 ZINC000662662176 419675004 /nfs/dbraw/zinc/67/50/04/419675004.db2.gz AZVRWQVEOZMDEH-CYBMUJFWSA-N 2 0 293.367 -0.252 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000662668074 419675264 /nfs/dbraw/zinc/67/52/64/419675264.db2.gz ADPBBLWYRWXAQV-NEPJUHHUSA-N 2 0 255.362 -0.048 20 0 CBADRP CC(=O)N1CC[C@@]([NH3+])(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)C1 ZINC000647871214 419675506 /nfs/dbraw/zinc/67/55/06/419675506.db2.gz ZSTNNWKJDRNTSE-OCCSQVGLSA-N 2 0 284.404 -0.232 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000662676474 419676347 /nfs/dbraw/zinc/67/63/47/419676347.db2.gz WXCZGHSIGMRHFQ-QWKFWESOSA-N 2 0 253.346 -0.295 20 0 CBADRP CC(=O)N1CC[C@@]([NH3+])(C(=O)N(C)CC[C@H]([NH3+])C(C)C)C1 ZINC000647871213 419676975 /nfs/dbraw/zinc/67/69/75/419676975.db2.gz ZSTNNWKJDRNTSE-JSGCOSHPSA-N 2 0 284.404 -0.232 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662668357 419678161 /nfs/dbraw/zinc/67/81/61/419678161.db2.gz LHMSUXCGQZCYEP-LLVKDONJSA-N 2 0 282.388 -0.416 20 0 CBADRP CN1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)[C@H](C[NH3+])C1 ZINC000647873513 419679981 /nfs/dbraw/zinc/67/99/81/419679981.db2.gz UYDHXLGDBPGIJB-GHMZBOCLSA-N 2 0 277.372 -0.069 20 0 CBADRP C[C@@H](CNC(=O)C1(O)C[NH2+]C1)[N@@H+]1CCC[C@H](C)C1 ZINC000662679989 419680531 /nfs/dbraw/zinc/68/05/31/419680531.db2.gz RBSPMDBFURRPBD-QWRGUYRKSA-N 2 0 255.362 -0.443 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000662684873 419680682 /nfs/dbraw/zinc/68/06/82/419680682.db2.gz KSVHVNNMZGAXAU-OLZOCXBDSA-N 2 0 267.373 -0.096 20 0 CBADRP CS(=O)(=O)NC[C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647877062 419681273 /nfs/dbraw/zinc/68/12/73/419681273.db2.gz HBJSIGPCCDMIHY-VXGBXAGGSA-N 2 0 275.418 -0.143 20 0 CBADRP CN1CCN(C(=O)[C@H]2CCc3ncncc3C2)[C@H](C[NH3+])C1 ZINC000647874199 419681402 /nfs/dbraw/zinc/68/14/02/419681402.db2.gz GUZYHLPWXAANBD-WCQYABFASA-N 2 0 289.383 -0.317 20 0 CBADRP [NH3+]C[C@H]1CN(CCN2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC000647909287 419686538 /nfs/dbraw/zinc/68/65/38/419686538.db2.gz VVLMKCKEYFGVSC-XQQFMLRXSA-N 2 0 255.362 -0.491 20 0 CBADRP O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)N1CCNC(=O)C1 ZINC000647901704 419687748 /nfs/dbraw/zinc/68/77/48/419687748.db2.gz UEHVEJGEHBRAEM-CHWSQXEVSA-N 2 0 294.399 -0.591 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CCC[NH3+])CC1 ZINC000414699235 544590208 /nfs/dbraw/zinc/59/02/08/544590208.db2.gz DQMCLEUCEWUAHQ-GFCCVEGCSA-N 2 0 254.378 -0.426 20 0 CBADRP CCN1C(=O)[C@@H]2CN(CCC[NH2+]C)CCN2C1=O ZINC000647891523 419687831 /nfs/dbraw/zinc/68/78/31/419687831.db2.gz LXCRIPMOAPMNRF-JTQLQIEISA-N 2 0 254.334 -0.436 20 0 CBADRP C[NH+]1CCC(CNC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662700245 419689641 /nfs/dbraw/zinc/68/96/41/419689641.db2.gz GTKWWRGDQVFNPJ-RYUDHWBXSA-N 2 0 255.362 -0.192 20 0 CBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(O)C[NH2+]C1 ZINC000662695830 419690279 /nfs/dbraw/zinc/69/02/79/419690279.db2.gz PZMPPIVATIYIMA-TUAOUCFPSA-N 2 0 269.389 -0.197 20 0 CBADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662695815 419690676 /nfs/dbraw/zinc/69/06/76/419690676.db2.gz PYQDALUJSWTYJY-LLVKDONJSA-N 2 0 269.389 -0.053 20 0 CBADRP CCCC[NH+]1CCC(NC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662700533 419691610 /nfs/dbraw/zinc/69/16/10/419691610.db2.gz SWXCEFMNRWGNCH-UHFFFAOYSA-N 2 0 255.362 -0.299 20 0 CBADRP CC[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647934360 419692072 /nfs/dbraw/zinc/69/20/72/419692072.db2.gz BVUPBMJUMPHNEJ-OLZOCXBDSA-N 3 0 268.405 -0.133 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@H]2CCO[C@H]2C[NH3+])n1 ZINC000662704943 419693385 /nfs/dbraw/zinc/69/33/85/419693385.db2.gz MGMQIXMVXQYFCN-QWRGUYRKSA-N 2 0 281.360 -0.253 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662704034 419693400 /nfs/dbraw/zinc/69/34/00/419693400.db2.gz SBLHZOQEYYNUGE-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])n1 ZINC000662704940 419693935 /nfs/dbraw/zinc/69/39/35/419693935.db2.gz MGMQIXMVXQYFCN-GHMZBOCLSA-N 2 0 281.360 -0.253 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662713319 419697333 /nfs/dbraw/zinc/69/73/33/419697333.db2.gz YWKWCKUUKIZZFT-FRRDWIJNSA-N 2 0 285.388 -0.423 20 0 CBADRP COCC1(C(=O)NCC23CC(C2)C[NH2+]3)CC[NH2+]CC1 ZINC000662718212 419698519 /nfs/dbraw/zinc/69/85/19/419698519.db2.gz HYKUDNHGGDJDSP-UHFFFAOYSA-N 2 0 267.373 -0.129 20 0 CBADRP O=C(COC1CC[NH2+]CC1)NCC12CC(C1)C[NH2+]2 ZINC000662719265 419699740 /nfs/dbraw/zinc/69/97/40/419699740.db2.gz WROCWXKVJWTSPL-UHFFFAOYSA-N 2 0 253.346 -0.377 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000662744616 419706155 /nfs/dbraw/zinc/70/61/55/419706155.db2.gz AHBSWXBXWWBGNG-JHJVBQTASA-N 2 0 267.373 -0.096 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662743284 419706784 /nfs/dbraw/zinc/70/67/84/419706784.db2.gz NFZDEYYYIAVILY-VXGBXAGGSA-N 2 0 273.377 -0.565 20 0 CBADRP C[NH+](C)Cc1cc(CNC(=O)C2(O)C[NH2+]C2)ccc1F ZINC000662732456 419707192 /nfs/dbraw/zinc/70/71/92/419707192.db2.gz VSKXHNNMROCNPN-UHFFFAOYSA-N 2 0 281.331 -0.162 20 0 CBADRP CC[NH+]1CCC(NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000647993697 419710015 /nfs/dbraw/zinc/71/00/15/419710015.db2.gz JMKJTJPUTXJHKZ-STQMWFEESA-N 2 0 284.404 -0.213 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662758879 419710203 /nfs/dbraw/zinc/71/02/03/419710203.db2.gz PXZDCZSHIZYZAM-NEPJUHHUSA-N 2 0 268.405 -0.264 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662758886 419710255 /nfs/dbraw/zinc/71/02/55/419710255.db2.gz PXZDCZSHIZYZAM-RYUDHWBXSA-N 2 0 268.405 -0.264 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662758882 419710973 /nfs/dbraw/zinc/71/09/73/419710973.db2.gz PXZDCZSHIZYZAM-NWDGAFQWSA-N 2 0 268.405 -0.264 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662758216 419711848 /nfs/dbraw/zinc/71/18/48/419711848.db2.gz OJPMWOZJPBIIOZ-RDBSUJKOSA-N 2 0 298.431 -0.508 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662754469 419711961 /nfs/dbraw/zinc/71/19/61/419711961.db2.gz ORARCZICMGZCMT-CPCISQLKSA-N 2 0 267.333 -0.370 20 0 CBADRP O=C(NCC1C[NH2+]C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662763383 419712000 /nfs/dbraw/zinc/71/20/00/419712000.db2.gz ZFRMZLCOVVAUJP-SECBINFHSA-N 2 0 251.252 -0.136 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662755217 419712089 /nfs/dbraw/zinc/71/20/89/419712089.db2.gz XPACCQAEDKIFRF-GFCCVEGCSA-N 2 0 268.405 -0.262 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)CC2([NH3+])CC2)CC1 ZINC000662758946 419712416 /nfs/dbraw/zinc/71/24/16/419712416.db2.gz VMTHAVKKDBJXAU-UHFFFAOYSA-N 2 0 254.378 -0.379 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)C2([NH2+]C3CC3)CCC2)CCO1 ZINC000662765884 419713349 /nfs/dbraw/zinc/71/33/49/419713349.db2.gz DWZPFCXJWCIEII-LLVKDONJSA-N 2 0 253.346 -0.153 20 0 CBADRP O=C(N1CC[C@@H]2CC[NH2+][C@H]2C1)[C@]1(O)CCC[NH2+]C1 ZINC000662771553 419713363 /nfs/dbraw/zinc/71/33/63/419713363.db2.gz HHBJIDVRHZSEEL-GVXVVHGQSA-N 2 0 253.346 -0.689 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC000662591823 419646948 /nfs/dbraw/zinc/64/69/48/419646948.db2.gz GDELJIJAWZCPFJ-JTQLQIEISA-N 2 0 270.377 -0.702 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@H]1C[NH3+] ZINC000662581490 419647033 /nfs/dbraw/zinc/64/70/33/419647033.db2.gz FTYRVUUYSDHUIM-WISYIIOYSA-N 2 0 255.362 -0.064 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC000662591824 419648440 /nfs/dbraw/zinc/64/84/40/419648440.db2.gz GDELJIJAWZCPFJ-SNVBAGLBSA-N 2 0 270.377 -0.702 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000647769653 419650739 /nfs/dbraw/zinc/65/07/39/419650739.db2.gz DAMDRFPKQVKGFA-LLVKDONJSA-N 2 0 256.394 -0.277 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000647770151 419651705 /nfs/dbraw/zinc/65/17/05/419651705.db2.gz ZOPUSXRYCPFTIG-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000647777634 419653313 /nfs/dbraw/zinc/65/33/13/419653313.db2.gz UQMOWBLWNZGLCC-GFCCVEGCSA-N 2 0 254.378 -0.650 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000647777428 419654258 /nfs/dbraw/zinc/65/42/58/419654258.db2.gz PRJUTBODEVZTBS-CYBMUJFWSA-N 2 0 254.378 -0.508 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000647777654 419654416 /nfs/dbraw/zinc/65/44/16/419654416.db2.gz VHRATIFYMRJYGX-OCCSQVGLSA-N 2 0 266.389 -0.650 20 0 CBADRP O=C(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH2+]CC1 ZINC000647799728 419658141 /nfs/dbraw/zinc/65/81/41/419658141.db2.gz PGCAJXZZONCFFS-YNEHKIRRSA-N 3 0 266.389 -0.604 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)NCCN(C)CCC[NH+](C)C ZINC000662630924 419658489 /nfs/dbraw/zinc/65/84/89/419658489.db2.gz IWFFDNQNJMLGSL-LBPRGKRZSA-N 2 0 258.410 -0.016 20 0 CBADRP C[C@](C[NH3+])(NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)C1CC1 ZINC000647807200 419659078 /nfs/dbraw/zinc/65/90/78/419659078.db2.gz RCUQXBKVLJBDFW-GXFFZTMASA-N 2 0 278.360 -0.330 20 0 CBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(O)C[NH2+]C1 ZINC000662794503 419725973 /nfs/dbraw/zinc/72/59/73/419725973.db2.gz RDUPSCHBRQFSEV-OCCSQVGLSA-N 2 0 289.379 -0.043 20 0 CBADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])[C@H]2C1 ZINC000662812999 419734743 /nfs/dbraw/zinc/73/47/43/419734743.db2.gz XKWZGKJCZZVQKA-VOAKCMCISA-N 2 0 283.372 -0.718 20 0 CBADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000662818051 419737021 /nfs/dbraw/zinc/73/70/21/419737021.db2.gz NTZUWYISUILNOD-JTQLQIEISA-N 2 0 255.362 -0.313 20 0 CBADRP CC1(OCC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C[NH2+]C1 ZINC000648110074 419737229 /nfs/dbraw/zinc/73/72/29/419737229.db2.gz XBYMCSSSBWSWOQ-CYBMUJFWSA-N 2 0 253.346 -0.423 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000662815134 419737477 /nfs/dbraw/zinc/73/74/77/419737477.db2.gz HYVSTCHGARUWCK-WDEREUQCSA-N 2 0 255.362 -0.049 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000648123007 419738685 /nfs/dbraw/zinc/73/86/85/419738685.db2.gz GYQZFRDYOFAVAS-GVXVVHGQSA-N 2 0 282.388 -0.704 20 0 CBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000662829331 419740213 /nfs/dbraw/zinc/74/02/13/419740213.db2.gz RLAIWIVHSCJVNX-SFTQSGBHSA-N 2 0 267.373 -0.062 20 0 CBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC000662829280 419740304 /nfs/dbraw/zinc/74/03/04/419740304.db2.gz BXUYROZQLQITPQ-NWDGAFQWSA-N 2 0 255.362 -0.144 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])C[C@H]1C[NH3+] ZINC000662830854 419740891 /nfs/dbraw/zinc/74/08/91/419740891.db2.gz WTHJWUAOZYYJIE-WISYIIOYSA-N 2 0 271.361 -0.828 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000648129585 419744552 /nfs/dbraw/zinc/74/45/52/419744552.db2.gz LLDWRWOPUMFTCT-KOLCDFICSA-N 2 0 258.366 -0.800 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000662943700 419786586 /nfs/dbraw/zinc/78/65/86/419786586.db2.gz XFMNHXCOOBAFPL-UHFFFAOYSA-N 2 0 270.377 -0.654 20 0 CBADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000648136290 419749108 /nfs/dbraw/zinc/74/91/08/419749108.db2.gz RAWHCOVBTJVDRW-XQHKEYJVSA-N 2 0 264.373 -0.757 20 0 CBADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000648136289 419749623 /nfs/dbraw/zinc/74/96/23/419749623.db2.gz RAWHCOVBTJVDRW-LPWJVIDDSA-N 2 0 264.373 -0.757 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000662941880 419786737 /nfs/dbraw/zinc/78/67/37/419786737.db2.gz RNOGZZSTDIZOHF-LBPRGKRZSA-N 2 0 284.404 -0.406 20 0 CBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)COC1(C)C[NH2+]C1 ZINC000648151892 419758918 /nfs/dbraw/zinc/75/89/18/419758918.db2.gz XFMXMPBMBRTNCG-ZDUSSCGKSA-N 2 0 299.415 -0.066 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000648150054 419759776 /nfs/dbraw/zinc/75/97/76/419759776.db2.gz RBWVJMWFZGLYRC-UPJWGTAASA-N 2 0 267.373 -0.083 20 0 CBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)COC1(C)C[NH2+]C1 ZINC000648151891 419759948 /nfs/dbraw/zinc/75/99/48/419759948.db2.gz XFMXMPBMBRTNCG-CYBMUJFWSA-N 2 0 299.415 -0.066 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)COC3(C)C[NH2+]C3)[C@H]2C1 ZINC000648168923 419761910 /nfs/dbraw/zinc/76/19/10/419761910.db2.gz HOVKURKJIYRRJO-NEPJUHHUSA-N 2 0 267.373 -0.083 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000648169057 419762735 /nfs/dbraw/zinc/76/27/35/419762735.db2.gz QJSOAGJJHMUEAY-SCRDCRAPSA-N 2 0 296.415 -0.362 20 0 CBADRP CC1(OCC(=O)NCC[N@@H+]2CCCOCC2)C[NH2+]C1 ZINC000648161064 419764490 /nfs/dbraw/zinc/76/44/90/419764490.db2.gz SLWVIVVBPGOZJR-UHFFFAOYSA-N 2 0 271.361 -0.797 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000662944494 419787376 /nfs/dbraw/zinc/78/73/76/419787376.db2.gz NJMTZMQMBYLRKE-NWDGAFQWSA-N 2 0 296.415 -0.265 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C12CCCC2)[C@@H]1C[NH2+]CCO1 ZINC000648205559 419773710 /nfs/dbraw/zinc/77/37/10/419773710.db2.gz IYIQTYNUSBVEQH-WDEREUQCSA-N 2 0 253.346 -0.234 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000662944495 419787467 /nfs/dbraw/zinc/78/74/67/419787467.db2.gz NJMTZMQMBYLRKE-RYUDHWBXSA-N 2 0 296.415 -0.265 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662925036 419776874 /nfs/dbraw/zinc/77/68/74/419776874.db2.gz JCSVDDYMXCBAFZ-LBPRGKRZSA-N 2 0 298.431 -0.018 20 0 CBADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662927891 419779023 /nfs/dbraw/zinc/77/90/23/419779023.db2.gz IABJZFFGCJIPMF-GFCCVEGCSA-N 2 0 298.431 -0.018 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000662930840 419782477 /nfs/dbraw/zinc/78/24/77/419782477.db2.gz WKKOUTHNAMMYFU-LBPRGKRZSA-N 2 0 296.415 -0.121 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000662937738 419783873 /nfs/dbraw/zinc/78/38/73/419783873.db2.gz KJGUIPIKWIBPBZ-UHFFFAOYSA-N 2 0 296.415 -0.120 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCC[NH3+])[C@H](C)C1 ZINC000662937013 419784066 /nfs/dbraw/zinc/78/40/66/419784066.db2.gz DPSCKWQXICWPMY-OLZOCXBDSA-N 2 0 298.431 -0.018 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000662774889 419716819 /nfs/dbraw/zinc/71/68/19/419716819.db2.gz TXDTVTFFLPGQFA-OPRDCNLKSA-N 2 0 294.321 -0.324 20 0 CBADRP C[C@H]1[NH2+]CCN(C(=O)c2cn(CC[NH3+])nn2)[C@@H]1C ZINC000662776346 419717597 /nfs/dbraw/zinc/71/75/97/419717597.db2.gz WZVXTMIAHOXTDL-RKDXNWHRSA-N 2 0 252.322 -0.941 20 0 CBADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000662777287 419717703 /nfs/dbraw/zinc/71/77/03/419717703.db2.gz AGBZEVIKKLIIEJ-OLZOCXBDSA-N 2 0 280.416 -0.119 20 0 CBADRP CC1(C)CC[NH2+][C@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000662782960 419720542 /nfs/dbraw/zinc/72/05/42/419720542.db2.gz BVGANMWOZBKQRT-QWRGUYRKSA-N 2 0 255.362 -0.131 20 0 CBADRP O=C(N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)C1(O)C[NH2+]C1 ZINC000662783986 419722288 /nfs/dbraw/zinc/72/22/88/419722288.db2.gz OEEPSMCJHBWZFF-VXGBXAGGSA-N 2 0 267.373 -0.441 20 0 CBADRP O=C(N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C1(O)C[NH2+]C1 ZINC000662786278 419722305 /nfs/dbraw/zinc/72/23/05/419722305.db2.gz VWDMJVDRQWTRPD-WDEREUQCSA-N 2 0 253.346 -0.831 20 0 CBADRP O=C(N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)C1(O)C[NH2+]C1 ZINC000662783985 419722985 /nfs/dbraw/zinc/72/29/85/419722985.db2.gz OEEPSMCJHBWZFF-RYUDHWBXSA-N 2 0 267.373 -0.441 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000662972817 419802174 /nfs/dbraw/zinc/80/21/74/419802174.db2.gz MLBRQDMEGABRHR-BFHYXJOUSA-N 2 0 299.415 -0.068 20 0 CBADRP C[C@]1(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC[NH2+]C1 ZINC000663011742 419808905 /nfs/dbraw/zinc/80/89/05/419808905.db2.gz QVYNSEYZYBJZLG-MFKMUULPSA-N 2 0 278.360 -0.488 20 0 CBADRP C[C@@]1(NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC[NH2+]C1 ZINC000663010886 419808918 /nfs/dbraw/zinc/80/89/18/419808918.db2.gz LOPBGHZENLRBFW-TVQRCGJNSA-N 2 0 263.345 -0.032 20 0 CBADRP C[C@@]1(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC[NH2+]C1 ZINC000663013031 419809705 /nfs/dbraw/zinc/80/97/05/419809705.db2.gz HUEZBSMVNWEUED-GXFFZTMASA-N 2 0 278.360 -0.316 20 0 CBADRP C[C@]1(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000663011788 419810079 /nfs/dbraw/zinc/81/00/79/419810079.db2.gz SGCQYTRJXLHCMF-GWCFXTLKSA-N 2 0 268.361 -0.887 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000518471630 544601560 /nfs/dbraw/zinc/60/15/60/544601560.db2.gz XBYLKIMXNUIVQO-KBPBESRZSA-N 2 0 273.421 -0.191 20 0 CBADRP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCOC2(C[NH2+]C2)C1 ZINC000663217031 419827031 /nfs/dbraw/zinc/82/70/31/419827031.db2.gz AIRIAWHGARGPBB-WCQYABFASA-N 2 0 265.357 -0.423 20 0 CBADRP CC(C)[C@@H]1CN([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC[NH2+]1 ZINC000663222900 419830750 /nfs/dbraw/zinc/83/07/50/419830750.db2.gz OBDFVJDKSMLILB-QWHCGFSZSA-N 2 0 296.415 -0.395 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000353046286 419832645 /nfs/dbraw/zinc/83/26/45/419832645.db2.gz SYQQCTJPBANPIN-UHFFFAOYSA-N 2 0 270.377 -0.783 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663492415 419842284 /nfs/dbraw/zinc/84/22/84/419842284.db2.gz STLJTGAXDPGEJH-QWRGUYRKSA-N 2 0 253.346 -0.425 20 0 CBADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCOC3(C[NH2+]C3)C2)C1(C)C ZINC000663490514 419842814 /nfs/dbraw/zinc/84/28/14/419842814.db2.gz BKKFDBVIKUSVBL-XHDPSFHLSA-N 2 0 297.399 -0.280 20 0 CBADRP [NH3+]Cc1ccc(C(=O)N2CCOC3(C[NH2+]C3)C2)cc1 ZINC000663491207 419842943 /nfs/dbraw/zinc/84/29/43/419842943.db2.gz HDKJYXFQYLKYIX-UHFFFAOYSA-N 2 0 261.325 -0.040 20 0 CBADRP [NH3+]C[C@H](C(=O)N1CCOC2(C[NH2+]C2)C1)c1ccccc1 ZINC000663491546 419843939 /nfs/dbraw/zinc/84/39/39/419843939.db2.gz IOARXBDOQRIMAS-ZDUSSCGKSA-N 2 0 275.352 -0.070 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C2([NH3+])CCCCC2)n1 ZINC000662945872 419789054 /nfs/dbraw/zinc/78/90/54/419789054.db2.gz VUFMSBONXPNNCT-UHFFFAOYSA-N 2 0 279.344 -0.081 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000662966089 419794696 /nfs/dbraw/zinc/79/46/96/419794696.db2.gz OVUWIXLCYOYTQW-WDEREUQCSA-N 2 0 270.377 -0.879 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000662961716 419796092 /nfs/dbraw/zinc/79/60/92/419796092.db2.gz HHIXGIYOTYWDIT-NSHDSACASA-N 2 0 270.377 -0.654 20 0 CBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CCO1 ZINC000662971518 419798592 /nfs/dbraw/zinc/79/85/92/419798592.db2.gz BDVHWXPNVDUBJE-KBPBESRZSA-N 2 0 299.415 -0.066 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000649318556 419877456 /nfs/dbraw/zinc/87/74/56/419877456.db2.gz VVDTYPJZYHTWPB-XQQFMLRXSA-N 2 0 296.415 -0.217 20 0 CBADRP CC1(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[NH2+]C1 ZINC000649320955 419882157 /nfs/dbraw/zinc/88/21/57/419882157.db2.gz GSWQKPHTFAJUQI-NEPJUHHUSA-N 2 0 267.373 -0.347 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000649320996 419883559 /nfs/dbraw/zinc/88/35/59/419883559.db2.gz HZMPSBWPTFXAPW-IJLUTSLNSA-N 2 0 255.362 -0.219 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000664219320 419889273 /nfs/dbraw/zinc/88/92/73/419889273.db2.gz RPXWAOMUQYKLFE-CYDGBPFRSA-N 2 0 284.404 -0.215 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649343770 419898019 /nfs/dbraw/zinc/89/80/19/419898019.db2.gz WANVSNZQSCXYIF-BNOWGMLFSA-N 2 0 280.416 -0.121 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000649374091 419906582 /nfs/dbraw/zinc/90/65/82/419906582.db2.gz QUDBHXHEWPHTCV-GFCCVEGCSA-N 2 0 255.362 -0.083 20 0 CBADRP CCC[C@H]1CN(C(=O)COCC[NH3+])CC[N@@H+]1CCOC ZINC000649379117 419906873 /nfs/dbraw/zinc/90/68/73/419906873.db2.gz LAVICPWQLYOTEG-ZDUSSCGKSA-N 2 0 287.404 -0.079 20 0 CBADRP C[C@H](NC(=O)NC[C@]1(O)CC[N@H+](C)C1)c1nccn1C ZINC000667251667 544657679 /nfs/dbraw/zinc/65/76/79/544657679.db2.gz RPILXLAUWSEEML-GXFFZTMASA-N 2 0 281.360 -0.153 20 0 CBADRP C[C@H](NC(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1nccn1C ZINC000667251666 544657804 /nfs/dbraw/zinc/65/78/04/544657804.db2.gz RPILXLAUWSEEML-GWCFXTLKSA-N 2 0 281.360 -0.153 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000649348784 419899685 /nfs/dbraw/zinc/89/96/85/419899685.db2.gz UXUNGFSHQRYPKX-CMPLNLGQSA-N 2 0 267.373 -0.036 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000358523524 419899703 /nfs/dbraw/zinc/89/97/03/419899703.db2.gz LOWGTAPAWRHPIC-VXGBXAGGSA-N 2 0 299.419 -0.425 20 0 CBADRP C[NH+](C)C1(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000667940474 544677855 /nfs/dbraw/zinc/67/78/55/544677855.db2.gz DRUHVZCLPYBFPL-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)C1 ZINC000649352855 419902824 /nfs/dbraw/zinc/90/28/24/419902824.db2.gz QQCCZLRUANHQEK-BYNSBNAKSA-N 2 0 292.427 -0.310 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000664407374 419904157 /nfs/dbraw/zinc/90/41/57/419904157.db2.gz WWWNXLMGHGDXQE-PYJNHQTQSA-N 2 0 296.415 -0.215 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000649366342 419904775 /nfs/dbraw/zinc/90/47/75/419904775.db2.gz ZTRNIOTVHDKCNU-CYBMUJFWSA-N 2 0 284.404 -0.881 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)COC1(C)C[NH2+]C1 ZINC000649352110 419904844 /nfs/dbraw/zinc/90/48/44/419904844.db2.gz RZERIOKKMBRFCB-LBPRGKRZSA-N 2 0 284.404 -0.883 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649350604 419905061 /nfs/dbraw/zinc/90/50/61/419905061.db2.gz RULVRSTWTFGEDB-ITGUQSILSA-N 2 0 266.389 -0.795 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[NH+](C)CC1 ZINC000649352167 419905178 /nfs/dbraw/zinc/90/51/78/419905178.db2.gz ZPECEFWZEKEBPR-LOWDOPEQSA-N 2 0 266.389 -0.511 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC2)C1 ZINC000649352759 419905222 /nfs/dbraw/zinc/90/52/22/419905222.db2.gz IUQLPBAOJRCMMR-BARDWOONSA-N 2 0 292.427 -0.025 20 0 CBADRP CCC[C@@H]1CN(C(=O)COCC[NH3+])CC[N@@H+]1CCOC ZINC000649379116 419908080 /nfs/dbraw/zinc/90/80/80/419908080.db2.gz LAVICPWQLYOTEG-CYBMUJFWSA-N 2 0 287.404 -0.079 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCNC1=O ZINC000668303383 544692010 /nfs/dbraw/zinc/69/20/10/544692010.db2.gz GMYLHEBVORYFQR-LLVKDONJSA-N 2 0 270.377 -0.926 20 0 CBADRP CCN(C(=O)C(=O)NCC[NH+](CC)CC)[C@@H]1CC[N@H+](C)C1 ZINC000668327865 544692687 /nfs/dbraw/zinc/69/26/87/544692687.db2.gz IVNBTVLXXCXKOL-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CCN(C(=O)C(=O)NCC[NH+](CC)CC)[C@H]1CC[N@H+](C)C1 ZINC000668327866 544692757 /nfs/dbraw/zinc/69/27/57/544692757.db2.gz IVNBTVLXXCXKOL-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CCN(C(=O)C(=O)NC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000668361859 544695648 /nfs/dbraw/zinc/69/56/48/544695648.db2.gz KUTIUZGBHDDQTI-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H]1C[C@@H](C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC[NH2+]1 ZINC000358698583 419912516 /nfs/dbraw/zinc/91/25/16/419912516.db2.gz UZDNNXLEWIPMNJ-FRRDWIJNSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C1([NH+](C)C)CC1 ZINC000668396264 544701073 /nfs/dbraw/zinc/70/10/73/544701073.db2.gz ZSOYIZYHZQCGDU-GFCCVEGCSA-N 2 0 268.405 -0.167 20 0 CBADRP CN1CCC[N@H+](CC(O)CN2CCC[NH+](C)CC2)CC1 ZINC000664719920 419914560 /nfs/dbraw/zinc/91/45/60/419914560.db2.gz RYZQRRMZEQFWCL-UHFFFAOYSA-N 2 0 284.448 -0.378 20 0 CBADRP CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000668670162 544713751 /nfs/dbraw/zinc/71/37/51/544713751.db2.gz IFWBXIWNANNJKU-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)[C@@H](C[NH3+])C1 ZINC000669403088 544749524 /nfs/dbraw/zinc/74/95/24/544749524.db2.gz ISZQIRQDZQPWEF-NEPJUHHUSA-N 2 0 269.393 -0.635 20 0 CBADRP CC(C)(C(=O)N[C@H]1CCC[C@@H]1C[NH3+])N1CC[NH2+]CC1 ZINC000669511499 544750904 /nfs/dbraw/zinc/75/09/04/544750904.db2.gz PQVZROJRGHNVJK-NEPJUHHUSA-N 2 0 268.405 -0.086 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H]2CCCC[NH2+]2)CC[NH2+]C1 ZINC000669509697 544751218 /nfs/dbraw/zinc/75/12/18/544751218.db2.gz ORBHWWGOFQXSKM-WCQYABFASA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000669491142 544751288 /nfs/dbraw/zinc/75/12/88/544751288.db2.gz NDNIAAZACBUSEU-CHWSQXEVSA-N 2 0 282.388 -0.242 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000669491275 544751298 /nfs/dbraw/zinc/75/12/98/544751298.db2.gz SGTYAHPBYGOLSM-NDBYEHHHSA-N 2 0 264.373 -0.012 20 0 CBADRP CN1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])[C@@H](C[NH3+])C1 ZINC000669512652 544751591 /nfs/dbraw/zinc/75/15/91/544751591.db2.gz WQGKARFDVLZHFQ-AVGNSLFASA-N 2 0 268.405 -0.005 20 0 CBADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000671628000 544826357 /nfs/dbraw/zinc/82/63/57/544826357.db2.gz AKLJPINGZNRWAW-UPJWGTAASA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H](NCc1nc(C[NH3+])cc(=O)[nH]1)[C@@H]1CCC[NH2+]1 ZINC000665294844 419938123 /nfs/dbraw/zinc/93/81/23/419938123.db2.gz XMSPOAAXFZSEDR-SCZZXKLOSA-N 2 0 251.334 -0.129 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000359227164 419952422 /nfs/dbraw/zinc/95/24/22/419952422.db2.gz VHWSSFRCROPDMA-AAEUAGOBSA-N 2 0 284.404 -0.314 20 0 CBADRP CCN1CCN(C(=O)[C@H](C)N2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000359307695 419957669 /nfs/dbraw/zinc/95/76/69/419957669.db2.gz NYLNLXSQCBIMLC-BFHYXJOUSA-N 3 0 280.416 -0.310 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000359344470 419958474 /nfs/dbraw/zinc/95/84/74/419958474.db2.gz PRBNAIBKBIKPHO-UHFFFAOYSA-N 2 0 284.404 -0.439 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CN(C)CCO1)N1CC[NH+](C)CC1 ZINC000360225919 420012636 /nfs/dbraw/zinc/01/26/36/420012636.db2.gz SZPRYMOXAXPWNT-CHWSQXEVSA-N 2 0 284.404 -0.931 20 0 CBADRP C[C@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)[NH+](C)C ZINC000361713489 420021263 /nfs/dbraw/zinc/02/12/63/420021263.db2.gz HFVOAXBFJKCFCV-LLVKDONJSA-N 2 0 282.392 0.516 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)c2ccnc(C[NH3+])c2)n1 ZINC000361607487 420021976 /nfs/dbraw/zinc/02/19/76/420021976.db2.gz BREQIGWMWQKDFI-UHFFFAOYSA-N 2 0 288.355 0.551 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[N@@H+]1CCC[C@H](C)C1 ZINC000364214867 420031499 /nfs/dbraw/zinc/03/14/99/420031499.db2.gz MPFABAJCRQHCAK-UMSGYPCISA-N 2 0 269.389 -0.054 20 0 CBADRP C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CNC(=O)C[NH3+] ZINC000364223957 420032267 /nfs/dbraw/zinc/03/22/67/420032267.db2.gz BVGQNALPFOFJKH-QWRGUYRKSA-N 2 0 268.361 -0.854 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364565184 420041493 /nfs/dbraw/zinc/04/14/93/420041493.db2.gz YZJWAFOGDPGKOO-JSGCOSHPSA-N 2 0 266.389 -0.603 20 0 CBADRP [NH3+]CC1(CCNC(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000652200586 420049475 /nfs/dbraw/zinc/04/94/75/420049475.db2.gz BRMVIPDBHIANSQ-UHFFFAOYSA-N 2 0 283.420 -0.290 20 0 CBADRP CCC[NH2+]CCNC(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652210972 420051200 /nfs/dbraw/zinc/05/12/00/420051200.db2.gz PJWACUNSKRRGCH-VXGBXAGGSA-N 2 0 272.393 -0.009 20 0 CBADRP CC[NH2+]CCNC(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652203960 420051370 /nfs/dbraw/zinc/05/13/70/420051370.db2.gz BJQJUHXYNPCEJA-GHMZBOCLSA-N 2 0 258.366 -0.399 20 0 CBADRP CCO[C@@H]1CN(C(=O)NCC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000652202965 420051416 /nfs/dbraw/zinc/05/14/16/420051416.db2.gz ZKQBWPDRMWOILT-CHWSQXEVSA-N 2 0 284.404 -0.009 20 0 CBADRP CCO[C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000652206897 420051815 /nfs/dbraw/zinc/05/18/15/420051815.db2.gz XYCCJUQFQVXNOY-IJLUTSLNSA-N 2 0 270.377 -0.256 20 0 CBADRP CCO[C@@H]1CN(C(=O)NC/C=C/C[NH3+])C[C@H]1C[NH3+] ZINC000652219773 420052401 /nfs/dbraw/zinc/05/24/01/420052401.db2.gz LJPRRKYNNYMJPT-YIZUVKHSSA-N 2 0 256.350 -0.494 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCC2(C[NH3+])CC2)CCO1 ZINC000652232013 420053878 /nfs/dbraw/zinc/05/38/78/420053878.db2.gz OBONMMFYKUQGFG-GHMZBOCLSA-N 2 0 270.377 -0.127 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652237083 420054457 /nfs/dbraw/zinc/05/44/57/420054457.db2.gz GFWNTUAUSWQHMI-ZDUSSCGKSA-N 2 0 270.377 -0.519 20 0 CBADRP CN1CCN(C(=O)NCCC2(C[NH3+])CC2)[C@H](C[NH3+])C1 ZINC000652231898 420054713 /nfs/dbraw/zinc/05/47/13/420054713.db2.gz JVKXIVKXOSXRRL-LLVKDONJSA-N 2 0 269.393 -0.600 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000365106284 420054965 /nfs/dbraw/zinc/05/49/65/420054965.db2.gz UHERHYBXYOENSU-YNEHKIRRSA-N 2 0 269.389 -0.054 20 0 CBADRP C[NH2+]C[C@@](C)(O)CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000652338520 420056637 /nfs/dbraw/zinc/05/66/37/420056637.db2.gz QCQIVPGVZLHIAV-ZIAGYGMSSA-N 2 0 271.405 -0.247 20 0 CBADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(OCCCO)CC1 ZINC000652338225 420057380 /nfs/dbraw/zinc/05/73/80/420057380.db2.gz LJCHOYJXDGPULH-ZDUSSCGKSA-N 2 0 260.378 -0.180 20 0 CBADRP C[NH2+]C[C@@](C)(O)CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000652338519 420057874 /nfs/dbraw/zinc/05/78/74/420057874.db2.gz QCQIVPGVZLHIAV-UONOGXRCSA-N 2 0 271.405 -0.247 20 0 CBADRP CNS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351901 420059117 /nfs/dbraw/zinc/05/91/17/420059117.db2.gz GZMJAKDTXWWPLB-RYUDHWBXSA-N 2 0 275.418 -0.014 20 0 CBADRP C[NH2+]CCCN1CC[NH+](CCOCCOC)CC1 ZINC000652364574 420059231 /nfs/dbraw/zinc/05/92/31/420059231.db2.gz ZVCQHWROUAUYIR-UHFFFAOYSA-N 2 0 259.394 -0.124 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000365332441 420060617 /nfs/dbraw/zinc/06/06/17/420060617.db2.gz SRVPZLWWEVTWGY-QNWHQSFQSA-N 2 0 285.388 -0.675 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652398415 420062226 /nfs/dbraw/zinc/06/22/26/420062226.db2.gz ANFQKYWBWKFJHR-UHFFFAOYSA-N 2 0 298.431 -0.049 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@H]1CCC[NH2+]CC1 ZINC000653045448 420109994 /nfs/dbraw/zinc/10/99/94/420109994.db2.gz NPTUYOHZGRMERK-LBPRGKRZSA-N 2 0 254.378 -0.603 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCN1CC[NH2+]CC1 ZINC000653045396 420110145 /nfs/dbraw/zinc/11/01/45/420110145.db2.gz IVXXTCCBKFRHEB-NWDGAFQWSA-N 2 0 254.378 -0.475 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653045358 420110610 /nfs/dbraw/zinc/11/06/10/420110610.db2.gz GCVOLFQMZHZYTL-CHWSQXEVSA-N 2 0 266.389 -0.462 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653047837 420110788 /nfs/dbraw/zinc/11/07/88/420110788.db2.gz YQCKWBJALJNERU-LOWVWBTDSA-N 2 0 253.346 -0.567 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[C@H]1[NH3+] ZINC000653052246 420111814 /nfs/dbraw/zinc/11/18/14/420111814.db2.gz YXXIWERYDHVFIP-XZUYRWCXSA-N 2 0 253.346 -0.582 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653051937 420111859 /nfs/dbraw/zinc/11/18/59/420111859.db2.gz OVGSCNTWGDMJEK-OPDFLTKYSA-N 2 0 267.373 -0.192 20 0 CBADRP CN1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000653055207 420111997 /nfs/dbraw/zinc/11/19/97/420111997.db2.gz VMXXNIVBMMNXBO-VXGBXAGGSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653051935 420112058 /nfs/dbraw/zinc/11/20/58/420112058.db2.gz OVGSCNTWGDMJEK-MNXVOIDGSA-N 2 0 267.373 -0.192 20 0 CBADRP COC[C@@H]([NH3+])C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000367709792 420112967 /nfs/dbraw/zinc/11/29/67/420112967.db2.gz UWRJGSPFEOFSTE-CQSZACIVSA-N 2 0 299.415 -0.079 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000367709791 420113296 /nfs/dbraw/zinc/11/32/96/420113296.db2.gz UWRJGSPFEOFSTE-AWEZNQCLSA-N 2 0 299.415 -0.079 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NCCNC(=O)c1cccs1 ZINC000653070942 420113502 /nfs/dbraw/zinc/11/35/02/420113502.db2.gz ORIVFWWUVNBWHC-SNVBAGLBSA-N 2 0 298.412 -0.127 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000653112615 420115810 /nfs/dbraw/zinc/11/58/10/420115810.db2.gz DEDAAPZDFMJJSX-ZYHUDNBSSA-N 2 0 254.378 -0.382 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000653110691 420116186 /nfs/dbraw/zinc/11/61/86/420116186.db2.gz QUAMFLWHUGLTBN-WCQYABFASA-N 2 0 288.461 -0.181 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653112750 420116571 /nfs/dbraw/zinc/11/65/71/420116571.db2.gz JAPQYSLOXOCHLS-MDZLAQPJSA-N 2 0 255.362 -0.321 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653105144 420116815 /nfs/dbraw/zinc/11/68/15/420116815.db2.gz HSVWKIDIQVPUAN-NEPJUHHUSA-N 2 0 256.394 -0.134 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653110407 420117251 /nfs/dbraw/zinc/11/72/51/420117251.db2.gz HVHSCWDJLLEJJZ-OBJOEFQTSA-N 2 0 267.373 -0.320 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000653112278 420117430 /nfs/dbraw/zinc/11/74/30/420117430.db2.gz SXSAMCMYMWJJTG-NEPJUHHUSA-N 2 0 256.394 -0.278 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000653116455 420118318 /nfs/dbraw/zinc/11/83/18/420118318.db2.gz HNYAPGYJOXHOSJ-MELADBBJSA-N 2 0 298.431 -0.677 20 0 CBADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653117333 420118407 /nfs/dbraw/zinc/11/84/07/420118407.db2.gz IUYYYTWCIDDARZ-GUTXKFCHSA-N 2 0 279.384 -0.177 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653116841 420118792 /nfs/dbraw/zinc/11/87/92/420118792.db2.gz WENLMTXJZQXSRT-OLZOCXBDSA-N 2 0 286.420 -0.508 20 0 CBADRP C[NH+]1CCC(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653113961 420119139 /nfs/dbraw/zinc/11/91/39/420119139.db2.gz SMJKEBHLICCHPF-JSGCOSHPSA-N 2 0 267.373 -0.320 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](N)CC[NH+](C)C ZINC000653116842 420120572 /nfs/dbraw/zinc/12/05/72/420120572.db2.gz WENLMTXJZQXSRT-QWHCGFSZSA-N 2 0 286.420 -0.508 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653123670 420120670 /nfs/dbraw/zinc/12/06/70/420120670.db2.gz DASQMPGYHLQMAI-OICBVUGWSA-N 2 0 279.384 -0.179 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000653115583 420120744 /nfs/dbraw/zinc/12/07/44/420120744.db2.gz TYNQJVHMPLHUTF-NEPJUHHUSA-N 2 0 256.394 -0.182 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000368009517 420121463 /nfs/dbraw/zinc/12/14/63/420121463.db2.gz OBDZGVNVJZKVMW-IJLUTSLNSA-N 2 0 255.362 -0.144 20 0 CBADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653137001 420121687 /nfs/dbraw/zinc/12/16/87/420121687.db2.gz ZDRJREAADICBFO-DYEKYZERSA-N 2 0 267.373 -0.190 20 0 CBADRP O=C(N1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653134096 420121987 /nfs/dbraw/zinc/12/19/87/420121987.db2.gz MEZQJHDZUZARDK-FMSGJZPZSA-N 2 0 265.357 -0.567 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653134073 420122010 /nfs/dbraw/zinc/12/20/10/420122010.db2.gz LOXMOOZKPWMYAV-XZUYRWCXSA-N 2 0 253.346 -0.663 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000653147198 420123415 /nfs/dbraw/zinc/12/34/15/420123415.db2.gz SVDIRYAUFWXBFH-VXGBXAGGSA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000653148753 420123525 /nfs/dbraw/zinc/12/35/25/420123525.db2.gz KCRMUSQGZAYHIP-VXGBXAGGSA-N 2 0 256.394 -0.182 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653155879 420124410 /nfs/dbraw/zinc/12/44/10/420124410.db2.gz JWJYFCMIQALKKS-FZMZJTMJSA-N 2 0 267.373 -0.225 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653193792 420125636 /nfs/dbraw/zinc/12/56/36/420125636.db2.gz HAIYHNPSAZPHBQ-LOWVWBTDSA-N 2 0 255.362 -0.062 20 0 CBADRP CC[NH+]1CCN(CC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000653221448 420127527 /nfs/dbraw/zinc/12/75/27/420127527.db2.gz XEQFSLYNTZOSGE-UHFFFAOYSA-N 2 0 268.405 -0.131 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCCC2(C[NH3+])CC2)CC1=O ZINC000653221212 420127760 /nfs/dbraw/zinc/12/77/60/420127760.db2.gz NAEYIAHRWHWNQC-LBPRGKRZSA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)[C@H]1CC[NH3+] ZINC000653233229 420127944 /nfs/dbraw/zinc/12/79/44/420127944.db2.gz SMKWBFNLSKZXTR-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)[C@H]1CC[NH3+] ZINC000653233232 420128377 /nfs/dbraw/zinc/12/83/77/420128377.db2.gz SMKWBFNLSKZXTR-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]Cc1ccc(CNC(=O)[C@H]2C[NH2+]CCO2)c(F)c1 ZINC000653223367 420128730 /nfs/dbraw/zinc/12/87/30/420128730.db2.gz KXVBHKNRKKGMNL-GFCCVEGCSA-N 2 0 267.304 -0.111 20 0 CBADRP COC[C@]1(C(=O)NCCC2(C[NH3+])CC2)CC[NH2+]C1 ZINC000653222573 420129014 /nfs/dbraw/zinc/12/90/14/420129014.db2.gz HLRBBBMAVDUSNJ-ZDUSSCGKSA-N 2 0 255.362 -0.142 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@H]([NH3+])CC(F)F)C[C@H]1C[NH3+] ZINC000653247696 420129580 /nfs/dbraw/zinc/12/95/80/420129580.db2.gz NNDATHXNBGXKBP-IWSPIJDZSA-N 2 0 265.304 -0.209 20 0 CBADRP CCO[C@@H]1CN(C(=O)C[C@H](C[NH3+])OC)C[C@H]1C[NH3+] ZINC000653247687 420129958 /nfs/dbraw/zinc/12/99/58/420129958.db2.gz NMLKGPWDIWUBEQ-GMTAPVOTSA-N 2 0 259.350 -0.828 20 0 CBADRP CCO[C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000653243519 420130144 /nfs/dbraw/zinc/13/01/44/420130144.db2.gz FYCNRUNITUBZDK-JHJVBQTASA-N 2 0 285.388 -0.423 20 0 CBADRP CC1(OCC(=O)NCCC2CC[NH2+]CC2)C[NH2+]C1 ZINC000653272704 420133162 /nfs/dbraw/zinc/13/31/62/420133162.db2.gz ZHGOYDMIWULNGE-UHFFFAOYSA-N 2 0 255.362 -0.129 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000653267440 420133173 /nfs/dbraw/zinc/13/31/73/420133173.db2.gz PPKLTNGJPSQUAO-MQYQWHSLSA-N 2 0 297.399 -0.138 20 0 CBADRP CC(C)NC(=O)CN(C)CC(=O)NCCC1CC[NH2+]CC1 ZINC000653272281 420134469 /nfs/dbraw/zinc/13/44/69/420134469.db2.gz GZENOTXTUGVZHJ-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@H]1CC(F)(F)CN1 ZINC000368491007 420134495 /nfs/dbraw/zinc/13/44/95/420134495.db2.gz FLZGQYVQSUJJTH-QMMMGPOBSA-N 2 0 251.277 -0.664 20 0 CBADRP C[C@@H]1CCCN(C(=O)C[C@@H]2COCC[NH2+]2)[C@@H]1C[NH3+] ZINC000368596334 420136638 /nfs/dbraw/zinc/13/66/38/420136638.db2.gz CRENKKYBQCLZTO-IJLUTSLNSA-N 2 0 255.362 -0.049 20 0 CBADRP CN1CCC[C@H]([NH2+][C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000653283969 420137997 /nfs/dbraw/zinc/13/79/97/420137997.db2.gz UTEUBTBAZRQVHT-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]CC1)NCCN1CC[NH2+]CC1 ZINC000368752292 420140945 /nfs/dbraw/zinc/14/09/45/420140945.db2.gz YYORWFUHGFCBOA-ZDUSSCGKSA-N 2 0 268.405 -0.212 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CCC(CC[NH3+])CC1)C1CC1 ZINC000652674838 420071151 /nfs/dbraw/zinc/07/11/51/420071151.db2.gz HEKJBNWHVRYODE-UHFFFAOYSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652698876 420073227 /nfs/dbraw/zinc/07/32/27/420073227.db2.gz MAPIKUSYOXEAFI-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000652700994 420074857 /nfs/dbraw/zinc/07/48/57/420074857.db2.gz XNENWGGPLBEJHZ-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000652705230 420076108 /nfs/dbraw/zinc/07/61/08/420076108.db2.gz CCAPUYKDEPQZIY-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652714391 420077383 /nfs/dbraw/zinc/07/73/83/420077383.db2.gz JZDDRXZNNLVCJK-LLVKDONJSA-N 2 0 282.388 -0.558 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000652727030 420079279 /nfs/dbraw/zinc/07/92/79/420079279.db2.gz ZLOCNMGWBLZNMM-UHFFFAOYSA-N 2 0 298.431 -0.016 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000370780530 420188056 /nfs/dbraw/zinc/18/80/56/420188056.db2.gz SVHKDPCSCOWFAO-CQSZACIVSA-N 2 0 286.395 -0.168 20 0 CBADRP COC[C@]1(C(=O)NC2CCC([NH3+])CC2)CC[NH2+]C1 ZINC000386330630 420203519 /nfs/dbraw/zinc/20/35/19/420203519.db2.gz MIAMNFBJGLMVSU-XIVSLSHWSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000389417435 420204954 /nfs/dbraw/zinc/20/49/54/420204954.db2.gz MTJIEVINRHDFBK-WOPDTQHZSA-N 2 0 291.417 -0.671 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C2(COC)CC[NH2+]CC2)C1 ZINC000369100545 420151825 /nfs/dbraw/zinc/15/18/25/420151825.db2.gz PQGPKPPLNVOVEP-ZDUSSCGKSA-N 2 0 299.415 -0.161 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000370224154 420173260 /nfs/dbraw/zinc/17/32/60/420173260.db2.gz YCGVRGSVGDZQPQ-QJPTWQEYSA-N 2 0 255.362 -0.300 20 0 CBADRP CC[NH+](CC)CCNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654344535 420173628 /nfs/dbraw/zinc/17/36/28/420173628.db2.gz OEXRLXIXLUGPBM-QWHCGFSZSA-N 2 0 284.404 -0.211 20 0 CBADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000400235310 420221866 /nfs/dbraw/zinc/22/18/66/420221866.db2.gz USDDLAYPBPXAIQ-QWRGUYRKSA-N 2 0 279.406 -0.636 20 0 CBADRP CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000401160121 420222434 /nfs/dbraw/zinc/22/24/34/420222434.db2.gz SLFXPEUOOOAEGP-XQHKEYJVSA-N 2 0 287.429 -0.002 20 0 CBADRP CS(=O)(=O)NCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400981349 420223116 /nfs/dbraw/zinc/22/31/16/420223116.db2.gz UQNHKRCDFLXPLQ-GRYCIOLGSA-N 2 0 275.418 -0.097 20 0 CBADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000404977120 420226242 /nfs/dbraw/zinc/22/62/42/420226242.db2.gz ZYBOQDABZQLGIS-RYUDHWBXSA-N 2 0 255.362 -0.083 20 0 CBADRP CCO[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1C[NH3+] ZINC000405880776 420228960 /nfs/dbraw/zinc/22/89/60/420228960.db2.gz TYJNQUZVERLVBF-VXGBXAGGSA-N 2 0 255.362 -0.192 20 0 CBADRP CCO[C@@H]1CN(CCN2C(=O)NC(C)(C)C2=O)C[C@H]1C[NH3+] ZINC000405557079 420229314 /nfs/dbraw/zinc/22/93/14/420229314.db2.gz BKKFZEQILLNSHR-GHMZBOCLSA-N 2 0 298.387 -0.388 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000655245221 420233478 /nfs/dbraw/zinc/23/34/78/420233478.db2.gz FVPAMFDUFDDXRH-HZSPNIEDSA-N 2 0 280.416 -0.167 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655244179 420234029 /nfs/dbraw/zinc/23/40/29/420234029.db2.gz NRZOHJYHPIFDSJ-FQUUOJAGSA-N 2 0 299.415 -0.069 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655295116 420237202 /nfs/dbraw/zinc/23/72/02/420237202.db2.gz SMLMJCVCHNBVNX-GRYCIOLGSA-N 2 0 253.346 -0.785 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296659 420241559 /nfs/dbraw/zinc/24/15/59/420241559.db2.gz PEOKLECVODPDPM-MELADBBJSA-N 2 0 297.399 -0.768 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418568862 420242410 /nfs/dbraw/zinc/24/24/10/420242410.db2.gz BPCRKPRQINCVOS-VXGBXAGGSA-N 2 0 272.393 -0.130 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000418936886 420243753 /nfs/dbraw/zinc/24/37/53/420243753.db2.gz KOBTZQVSHGIPKC-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)C[C@@H]1C[NH3+] ZINC000419111740 420243979 /nfs/dbraw/zinc/24/39/79/420243979.db2.gz UNLUOZBAQYQGPN-NEPJUHHUSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CC2)C[C@H](C)[NH2+]1 ZINC000419103055 420244145 /nfs/dbraw/zinc/24/41/45/420244145.db2.gz LLXISEDRJJMURL-QWRGUYRKSA-N 2 0 282.388 -0.594 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655411774 420245714 /nfs/dbraw/zinc/24/57/14/420245714.db2.gz WNOFYBXWNCIITM-ZFWWWQNUSA-N 2 0 280.416 -0.212 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000419524952 420245939 /nfs/dbraw/zinc/24/59/39/420245939.db2.gz QQYCJGJBNZFBST-NEPJUHHUSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000420053756 420247502 /nfs/dbraw/zinc/24/75/02/420247502.db2.gz XNOIKAVTYIGODP-UPJWGTAASA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000419991900 420248177 /nfs/dbraw/zinc/24/81/77/420248177.db2.gz JAIPJNWEYFEHIU-GFCCVEGCSA-N 2 0 284.404 -0.217 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420093305 420248276 /nfs/dbraw/zinc/24/82/76/420248276.db2.gz PKYFHGAVAJHKIX-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP CN1CCN(C(=O)C[C@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000655419325 420248420 /nfs/dbraw/zinc/24/84/20/420248420.db2.gz SICKEUWJYVCADS-VXGBXAGGSA-N 2 0 254.378 -0.523 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000655448814 420249252 /nfs/dbraw/zinc/24/92/52/420249252.db2.gz YGIBJKZHFZFSGM-STQMWFEESA-N 2 0 284.404 -0.883 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000420154053 420249321 /nfs/dbraw/zinc/24/93/21/420249321.db2.gz HXIZKUVKMIBDRU-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCNC(=O)C1 ZINC000420345924 420252503 /nfs/dbraw/zinc/25/25/03/420252503.db2.gz WVXDKIMSGLYJTC-QWHCGFSZSA-N 2 0 294.399 -0.734 20 0 CBADRP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000655460941 420253901 /nfs/dbraw/zinc/25/39/01/420253901.db2.gz FRCHZSAETDZRSY-IJEWVQPXSA-N 2 0 292.427 -0.118 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655478183 420255456 /nfs/dbraw/zinc/25/54/56/420255456.db2.gz PFXPTGGXAWCADA-LOWVWBTDSA-N 2 0 253.346 -0.519 20 0 CBADRP [NH3+]C[C@H](NC(=O)C[C@H]1COCC[NH2+]1)C(F)(F)F ZINC000655514844 420261116 /nfs/dbraw/zinc/26/11/16/420261116.db2.gz DPAAGHBLIQSFCC-BQBZGAKWSA-N 2 0 255.240 -0.629 20 0 CBADRP COC[C@]1(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC[NH2+]C1 ZINC000655518656 420262249 /nfs/dbraw/zinc/26/22/49/420262249.db2.gz JBUKFESAOPYIAK-CBAPKCEASA-N 2 0 269.267 -0.382 20 0 CBADRP CC(C)NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430607154 420272134 /nfs/dbraw/zinc/27/21/34/420272134.db2.gz XKYYCPNFKMUAEL-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP CSCC[C@H]([NH3+])C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000430870039 420272389 /nfs/dbraw/zinc/27/23/89/420272389.db2.gz RUSWAEYIDGOWQJ-JTQLQIEISA-N 2 0 285.417 0.464 20 0 CBADRP Cn1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(=O)n(C)c1=O ZINC000655826473 420272518 /nfs/dbraw/zinc/27/25/18/420272518.db2.gz FVXPVOKROPNOGH-KLPPZKSPSA-N 2 0 280.372 -0.486 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655916741 420275916 /nfs/dbraw/zinc/27/59/16/420275916.db2.gz HMLFQJBUNWXJHH-IUCAKERBSA-N 2 0 298.309 -0.104 20 0 CBADRP [NH3+]C[C@@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C(F)(F)F ZINC000655933084 420282641 /nfs/dbraw/zinc/28/26/41/420282641.db2.gz GGWIPETYPRTDFX-DJLDLDEBSA-N 2 0 296.293 -0.664 20 0 CBADRP [NH3+][C@H]1CCC[C@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655966412 420284087 /nfs/dbraw/zinc/28/40/87/420284087.db2.gz WGVWXWMBIFKKEC-ZDEQEGDKSA-N 2 0 282.388 -0.283 20 0 CBADRP O=C(NCCC[C@@H]1CCC[NH2+]1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655968920 420284492 /nfs/dbraw/zinc/28/44/92/420284492.db2.gz BBYRCURTRFOPGY-MELADBBJSA-N 2 0 296.415 -0.021 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655966409 420284704 /nfs/dbraw/zinc/28/47/04/420284704.db2.gz WGVWXWMBIFKKEC-FVCCEPFGSA-N 2 0 282.388 -0.283 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655970711 420285651 /nfs/dbraw/zinc/28/56/51/420285651.db2.gz XABCYBOPSRSMNE-FIQHERPVSA-N 2 0 270.377 -0.427 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655968130 420285662 /nfs/dbraw/zinc/28/56/62/420285662.db2.gz NDBKFQMQBWVTRX-OUAUKWLOSA-N 2 0 256.350 -0.816 20 0 CBADRP CC(C)(C[NH3+])Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000656458662 420312119 /nfs/dbraw/zinc/31/21/19/420312119.db2.gz DDJONRXZIUMSRQ-UHFFFAOYSA-N 2 0 252.366 -0.332 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000673517871 544876431 /nfs/dbraw/zinc/87/64/31/544876431.db2.gz XVIHKRFPEGLKFV-CHWSQXEVSA-N 2 0 269.389 -0.006 20 0 CBADRP C[C@H](Cn1cncn1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000657870292 420364437 /nfs/dbraw/zinc/36/44/37/420364437.db2.gz BYKGWLZCNNBBBH-OLZOCXBDSA-N 2 0 266.393 -0.108 20 0 CBADRP [NH3+]CCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656019145 420291687 /nfs/dbraw/zinc/29/16/87/420291687.db2.gz AEVXZHQANGMXRE-RYUDHWBXSA-N 2 0 282.388 -0.416 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656022154 420292757 /nfs/dbraw/zinc/29/27/57/420292757.db2.gz CKZPBWTWRJZTCY-RWMBFGLXSA-N 2 0 298.431 -0.068 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656021704 420292881 /nfs/dbraw/zinc/29/28/81/420292881.db2.gz HFWZGZQFBSGFJG-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656019812 420292932 /nfs/dbraw/zinc/29/29/32/420292932.db2.gz KBRNBIDAERYCPM-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000656023982 420292984 /nfs/dbraw/zinc/29/29/84/420292984.db2.gz GTWYEKCLNMNXHM-AOOOYVTPSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656022116 420293182 /nfs/dbraw/zinc/29/31/82/420293182.db2.gz BYNNOMFIQOONJA-FRRDWIJNSA-N 2 0 296.415 -0.027 20 0 CBADRP [NH3+]CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656019608 420293326 /nfs/dbraw/zinc/29/33/26/420293326.db2.gz HNPRKPDFRSZYDA-GHMZBOCLSA-N 2 0 268.361 -0.806 20 0 CBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC000656023156 420293343 /nfs/dbraw/zinc/29/33/43/420293343.db2.gz WVVVDVDVMVKVRZ-UHFFFAOYSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000656019758 420293440 /nfs/dbraw/zinc/29/34/40/420293440.db2.gz ITJIPQFOADPDHR-UPJWGTAASA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656024438 420293777 /nfs/dbraw/zinc/29/37/77/420293777.db2.gz PMKGHIVHDOPNMQ-KXNHARMFSA-N 2 0 284.404 -0.315 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656022703 420293977 /nfs/dbraw/zinc/29/39/77/420293977.db2.gz KLABPLRMZHZSOI-UPJWGTAASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000446378306 420295032 /nfs/dbraw/zinc/29/50/32/420295032.db2.gz TWTIWPBBKFZLIY-RWMBFGLXSA-N 2 0 286.395 -0.314 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[C@H](C)C[NH2+]1 ZINC000656042822 420295725 /nfs/dbraw/zinc/29/57/25/420295725.db2.gz VOMRGIPSKIPRFY-LPWJVIDDSA-N 2 0 296.415 -0.348 20 0 CBADRP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[NH2+]CC1 ZINC000656027775 420295871 /nfs/dbraw/zinc/29/58/71/420295871.db2.gz DQQORJNKCULYMB-STQMWFEESA-N 2 0 294.399 -0.449 20 0 CBADRP COCCOC[C@H](O)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656153751 420300880 /nfs/dbraw/zinc/30/08/80/420300880.db2.gz MIBIXBSBIBYUER-FRRDWIJNSA-N 2 0 260.378 -0.060 20 0 CBADRP C[C@H](C[C@H]1COCC[NH2+]1)N1CCN(c2nncn2C)CC1 ZINC000656199803 420301452 /nfs/dbraw/zinc/30/14/52/420301452.db2.gz DRZVVDAVJAYQRM-OLZOCXBDSA-N 2 0 294.403 -0.296 20 0 CBADRP CN1CCN(C(=O)C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000656198203 420302546 /nfs/dbraw/zinc/30/25/46/420302546.db2.gz MSAVFULAVHCPSA-NEPJUHHUSA-N 3 0 254.378 -0.380 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000516980192 420370907 /nfs/dbraw/zinc/37/09/07/420370907.db2.gz VQRQLXKIYOBCDA-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000517375489 420376277 /nfs/dbraw/zinc/37/62/77/420376277.db2.gz QTLQSLNBRZOGPO-CHWSQXEVSA-N 2 0 294.399 -0.402 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000517400040 420376420 /nfs/dbraw/zinc/37/64/20/420376420.db2.gz JESJGQPJXZOHFA-GFCCVEGCSA-N 2 0 294.399 -0.450 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000517381205 420376755 /nfs/dbraw/zinc/37/67/55/420376755.db2.gz ACMRGEUJVVRBFN-ITGUQSILSA-N 2 0 282.388 -0.386 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000517373247 420376825 /nfs/dbraw/zinc/37/68/25/420376825.db2.gz QCGUHYMMZKWKJJ-GARJFASQSA-N 2 0 271.361 -0.099 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000517565206 420378458 /nfs/dbraw/zinc/37/84/58/420378458.db2.gz UPLCSHPEQHWUME-NWDGAFQWSA-N 2 0 284.404 -0.040 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000518167860 420380156 /nfs/dbraw/zinc/38/01/56/420380156.db2.gz KLOUOCWIGGEJAI-QJPTWQEYSA-N 2 0 254.378 -0.476 20 0 CBADRP COC[C@@]1(CNC(=O)C[C@@H]2COCC[NH2+]2)CCC[NH2+]1 ZINC000519385101 420382013 /nfs/dbraw/zinc/38/20/13/420382013.db2.gz PTTWHUOKIUEFFY-YPMHNXCESA-N 2 0 271.361 -0.750 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000519641450 420383219 /nfs/dbraw/zinc/38/32/19/420383219.db2.gz GIAPEOVSFLORDG-WCQYABFASA-N 2 0 255.362 -0.048 20 0 CBADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCCN2CC[NH2+]CC2)C1(C)C ZINC000519603149 420383653 /nfs/dbraw/zinc/38/36/53/420383653.db2.gz ZUDDIKDQNNKWOU-WFASDCNBSA-N 2 0 298.431 -0.460 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@H](C)[NH2+]C)CC1 ZINC000519639031 420383939 /nfs/dbraw/zinc/38/39/39/420383939.db2.gz CYMGCPOEQMGBMT-LBPRGKRZSA-N 2 0 256.394 -0.262 20 0 CBADRP C[C@]([NH3+])(C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000519713238 420385314 /nfs/dbraw/zinc/38/53/14/420385314.db2.gz SPICXRZKJLLAAB-OAHLLOKOSA-N 2 0 290.367 -0.592 20 0 CBADRP CC[C@H](C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)[NH+](C)C ZINC000519765107 420388211 /nfs/dbraw/zinc/38/82/11/420388211.db2.gz DCRLKWXKAHPJBG-TZMCWYRMSA-N 2 0 269.389 -0.101 20 0 CBADRP CCN(C(=O)C(=O)N(C)CC[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC000658829922 420391030 /nfs/dbraw/zinc/39/10/30/420391030.db2.gz OMEBDTDVBWXHKS-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[NH+](C)C ZINC000674286428 544901168 /nfs/dbraw/zinc/90/11/68/544901168.db2.gz JQBHYXNHJJWALA-NSHDSACASA-N 2 0 270.377 -0.831 20 0 CBADRP CC[C@H](CNC(=O)[C@H](C)[NH+](C)C)NC(=O)[C@H](C)[NH+](C)C ZINC000674287572 544901565 /nfs/dbraw/zinc/90/15/65/544901565.db2.gz GHMUZMFAOABUMO-SDDRHHMPSA-N 2 0 286.420 -0.102 20 0 CBADRP Cn1ccnc1[C@@H]1C[NH2+]CCN1CCN1CC[NH2+]CC1 ZINC000516927415 420365177 /nfs/dbraw/zinc/36/51/77/420365177.db2.gz LYMHMPGKLAYLQG-ZDUSSCGKSA-N 2 0 278.404 -0.728 20 0 CBADRP Cn1nncc1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000674334314 544903530 /nfs/dbraw/zinc/90/35/30/544903530.db2.gz AVNGDAPNQRBLAE-UHFFFAOYSA-N 2 0 266.393 -0.068 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1=O ZINC000673660528 544884003 /nfs/dbraw/zinc/88/40/03/544884003.db2.gz ASPUNBNTOLYJJT-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP CN1CCN(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000673659622 544884085 /nfs/dbraw/zinc/88/40/85/544884085.db2.gz FGNWNMKQYCSEGY-UHFFFAOYSA-N 2 0 299.463 -0.814 20 0 CBADRP C[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CCC[NH2+]1 ZINC000516929929 420367243 /nfs/dbraw/zinc/36/72/43/420367243.db2.gz WAEHPZWWJZGJKD-RISCZKNCSA-N 2 0 282.388 -0.416 20 0 CBADRP Cn1[nH]c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc1=O ZINC000516971246 420367318 /nfs/dbraw/zinc/36/73/18/420367318.db2.gz PKKKVAZOLQTYMC-WDEREUQCSA-N 2 0 265.361 -0.070 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@@H]([NH2+]C[C@H]2CCCCO2)C1=O ZINC000516935309 420367514 /nfs/dbraw/zinc/36/75/14/420367514.db2.gz SCMFGFWYJNOXSZ-VXGBXAGGSA-N 2 0 283.372 -0.166 20 0 CBADRP Cn1[nH]c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc1=O ZINC000516971243 420367810 /nfs/dbraw/zinc/36/78/10/420367810.db2.gz PKKKVAZOLQTYMC-GHMZBOCLSA-N 2 0 265.361 -0.070 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)nn1 ZINC000659327033 420412487 /nfs/dbraw/zinc/41/24/87/420412487.db2.gz GHUQUFXPLIHOKP-NSHDSACASA-N 2 0 278.360 -0.359 20 0 CBADRP [NH3+]C1(C(=O)NCC(=O)N2CC[NH2+]CC2)CC2(CCC2)C1 ZINC000659299349 420408178 /nfs/dbraw/zinc/40/81/78/420408178.db2.gz AXVXLCLFSVOKOT-UHFFFAOYSA-N 2 0 280.372 -0.804 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn(CC[NH3+])nn2)C[C@H](C)[NH2+]1 ZINC000659297396 420408716 /nfs/dbraw/zinc/40/87/16/420408716.db2.gz VPHSUHZPKYMLHY-DTORHVGOSA-N 2 0 252.322 -0.941 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C1CC1 ZINC000534266059 420410403 /nfs/dbraw/zinc/41/04/03/420410403.db2.gz GGRNFZVKNHOWTA-KGLIPLIRSA-N 2 0 280.416 -0.167 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000420109720 287626905 /nfs/dbraw/zinc/62/69/05/287626905.db2.gz DSXBQVFIEJZVFS-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000659431864 420419267 /nfs/dbraw/zinc/41/92/67/420419267.db2.gz QRZVBWSRBMHCCF-LBPRGKRZSA-N 2 0 285.436 -0.081 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659447180 420419948 /nfs/dbraw/zinc/41/99/48/420419948.db2.gz XJTVDPGVAAPLGE-SECBINFHSA-N 2 0 296.375 -0.220 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659452086 420420159 /nfs/dbraw/zinc/42/01/59/420420159.db2.gz LFKXDEGMMDCKQF-OPFPJEHXSA-N 2 0 295.431 -0.327 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659448326 420420524 /nfs/dbraw/zinc/42/05/24/420420524.db2.gz BQKMLVXNVFYKCB-UHFFFAOYSA-N 2 0 270.377 -0.303 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000659458820 420421841 /nfs/dbraw/zinc/42/18/41/420421841.db2.gz UKDKQTPXHQDNEL-WDEREUQCSA-N 2 0 258.366 -0.386 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)c1cn(CC[NH3+])nn1 ZINC000659327623 420413357 /nfs/dbraw/zinc/41/33/57/420413357.db2.gz RAQXDPDYLHDJNH-UHFFFAOYSA-N 2 0 282.392 -0.056 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)nn1 ZINC000659325174 420413507 /nfs/dbraw/zinc/41/35/07/420413507.db2.gz MNIPZHNUAVHQTD-LLVKDONJSA-N 2 0 286.339 -0.233 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CC[NH2+]C1CC1 ZINC000659359706 420416055 /nfs/dbraw/zinc/41/60/55/420416055.db2.gz VGCNYWIARRNBIT-UHFFFAOYSA-N 2 0 284.404 -0.393 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659358661 420416269 /nfs/dbraw/zinc/41/62/69/420416269.db2.gz SKCNPHKYDPORET-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@@H]1CCN(C(=O)c2cn(CC[NH3+])nn2)[C@H](C[NH3+])C1 ZINC000659378864 420416923 /nfs/dbraw/zinc/41/69/23/420416923.db2.gz JMJCLLHXHZXYQP-ZJUUUORDSA-N 2 0 266.349 -0.564 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCC1([NH3+])CCCC1 ZINC000659573675 420434987 /nfs/dbraw/zinc/43/49/87/420434987.db2.gz OYTULVMQVUEVAV-LBPRGKRZSA-N 2 0 272.393 -0.130 20 0 CBADRP CC[N@@H+]1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C[C@H]1C ZINC000677930641 545009115 /nfs/dbraw/zinc/00/91/15/545009115.db2.gz DLVDKGZCELXIML-KGLIPLIRSA-N 2 0 280.416 -0.071 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N(C)CC[NH+](C)C ZINC000354784818 230235180 /nfs/dbraw/zinc/23/51/80/230235180.db2.gz FIGNOEFOHNRINI-UHFFFAOYSA-N 2 0 258.366 -0.974 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)O1 ZINC000375707523 230248904 /nfs/dbraw/zinc/24/89/04/230248904.db2.gz NHOYLDJZEFOEJN-WYUUTHIRSA-N 2 0 253.346 -0.297 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000659527260 420428650 /nfs/dbraw/zinc/42/86/50/420428650.db2.gz KIJWQCNLPWYJFG-LBPRGKRZSA-N 2 0 299.419 -0.615 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NCC2C[NH2+]C2)CCO1 ZINC000659527642 420429162 /nfs/dbraw/zinc/42/91/62/420429162.db2.gz LZNDCCGUMOGXMD-CYBMUJFWSA-N 2 0 284.404 -0.042 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(C)(C)CO)CC1 ZINC000679314610 545025870 /nfs/dbraw/zinc/02/58/70/545025870.db2.gz NFCKCDNDZALBSF-LBPRGKRZSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659534345 420429988 /nfs/dbraw/zinc/42/99/88/420429988.db2.gz SFEMQCGKBSBXTF-SCZZXKLOSA-N 2 0 294.359 -0.562 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000377138762 230278322 /nfs/dbraw/zinc/27/83/22/230278322.db2.gz FYMNSPQAZVRNAG-TUAOUCFPSA-N 2 0 253.346 -0.282 20 0 CBADRP COC[C@@]1(CNC(=O)N2CC3CC2(C[NH3+])C3)CCC[NH2+]1 ZINC000659543141 420430877 /nfs/dbraw/zinc/43/08/77/420430877.db2.gz SOOFFCWRYDPGSL-QRMWWUJWSA-N 2 0 282.388 -0.112 20 0 CBADRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[C@H](C)[NH3+] ZINC000659547397 420432264 /nfs/dbraw/zinc/43/22/64/420432264.db2.gz CODYPNPCRGRGGA-WDEREUQCSA-N 2 0 287.408 -0.617 20 0 CBADRP C[NH+](C)CCC[C@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC000659550812 420432485 /nfs/dbraw/zinc/43/24/85/420432485.db2.gz YRAKUVXJMZAVCM-IGQOVBAYSA-N 2 0 296.415 -0.044 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000659750948 420467688 /nfs/dbraw/zinc/46/76/88/420467688.db2.gz DZMKUYFXGOESDO-SDDRHHMPSA-N 2 0 282.388 -0.737 20 0 CBADRP Nc1nccc([C@H]2CCC[N@H+](CCN3CC[NH2+]CC3)C2)n1 ZINC000578893095 420467877 /nfs/dbraw/zinc/46/78/77/420467877.db2.gz ZSTGXEXBWDSQGT-ZDUSSCGKSA-N 2 0 290.415 0.143 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000659752636 420468687 /nfs/dbraw/zinc/46/86/87/420468687.db2.gz KVKFOPUXLQRXRC-GHMZBOCLSA-N 2 0 270.377 -0.737 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000659757324 420468949 /nfs/dbraw/zinc/46/89/49/420468949.db2.gz WZEXXXLPFFBYAM-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000659756792 420469496 /nfs/dbraw/zinc/46/94/96/420469496.db2.gz SJCQMDCKWZSQDO-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)CCO1 ZINC000659611595 420437950 /nfs/dbraw/zinc/43/79/50/420437950.db2.gz OIAINRLRNGYQLR-JJOYANBFSA-N 2 0 268.361 -0.504 20 0 CBADRP C[C@H](CNC(=O)/C=C\C[NH+](C)C)N1CC[NH+](C)CC1 ZINC000491861371 230330384 /nfs/dbraw/zinc/33/03/84/230330384.db2.gz AKOPEUXJPNPUKW-CFHLNLSMSA-N 2 0 268.405 -0.144 20 0 CBADRP C[C@H]1[NH2+]CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H]1C ZINC000659628879 420438409 /nfs/dbraw/zinc/43/84/09/420438409.db2.gz LIYMQIXLQXKTRD-BDAKNGLRSA-N 2 0 294.359 -0.467 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)[C@H](C)C1 ZINC000659615318 420438886 /nfs/dbraw/zinc/43/88/86/420438886.db2.gz YSBQFTGAKJTNGO-ATAKMUTHSA-N 2 0 296.415 -0.165 20 0 CBADRP CCO[C@@H]1CN(C(=O)N[C@H](C)C[NH2+]C)C[C@H]1C[NH3+] ZINC000659634635 420439992 /nfs/dbraw/zinc/43/99/92/420439992.db2.gz DKILCRIXNCPJLP-GMTAPVOTSA-N 2 0 258.366 -0.401 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000659634345 420440225 /nfs/dbraw/zinc/44/02/25/420440225.db2.gz KESJKOUMOKVQNC-LLVKDONJSA-N 2 0 272.393 -0.308 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)NCCNc1cc[nH+]cc1 ZINC000659635209 420440232 /nfs/dbraw/zinc/44/02/32/420440232.db2.gz BIJSSUCQURDJAI-JTQLQIEISA-N 2 0 251.334 -0.178 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000659639049 420441680 /nfs/dbraw/zinc/44/16/80/420441680.db2.gz JINMSPMXOJKFJF-CHWSQXEVSA-N 2 0 285.436 -0.081 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000659636369 420441698 /nfs/dbraw/zinc/44/16/98/420441698.db2.gz KTASKMFITLHSGN-CYBMUJFWSA-N 2 0 285.436 -0.127 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000659641846 420443141 /nfs/dbraw/zinc/44/31/41/420443141.db2.gz ISGLXTULKMZKAT-RYUDHWBXSA-N 2 0 272.393 -0.260 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000566194221 420444290 /nfs/dbraw/zinc/44/42/90/420444290.db2.gz WQIXYVGFTPKCDF-WDEREUQCSA-N 2 0 265.361 0.381 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCCCn1ccnc1 ZINC000659675879 420446189 /nfs/dbraw/zinc/44/61/89/420446189.db2.gz ZGKOCJJYFSTMBQ-UHFFFAOYSA-N 2 0 295.387 -0.025 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000659677513 420447737 /nfs/dbraw/zinc/44/77/37/420447737.db2.gz DMLJJLTZWBRJII-AXFHLTTASA-N 2 0 270.377 -0.691 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC[C@H]1F ZINC000659687695 420448494 /nfs/dbraw/zinc/44/84/94/420448494.db2.gz XVIIUICHHLFDBF-YUSALJHKSA-N 2 0 298.362 -0.763 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC[C@H]1F ZINC000659687694 420449337 /nfs/dbraw/zinc/44/93/37/420449337.db2.gz XVIIUICHHLFDBF-MVWJERBFSA-N 2 0 298.362 -0.763 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000659688922 420449867 /nfs/dbraw/zinc/44/98/67/420449867.db2.gz OJKWJEYCIVFPNO-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659691096 420450396 /nfs/dbraw/zinc/45/03/96/420450396.db2.gz HLUHKMZTYLQTQQ-LLVKDONJSA-N 2 0 272.393 -0.441 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000659697266 420450881 /nfs/dbraw/zinc/45/08/81/420450881.db2.gz WCSYNWSGZSWELU-MNOVXSKESA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659693871 420451299 /nfs/dbraw/zinc/45/12/99/420451299.db2.gz CIXVRSNGCIIINA-PWSUYJOCSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])C1=CC[N@H+](C)CC1 ZINC000659701422 420451725 /nfs/dbraw/zinc/45/17/25/420451725.db2.gz DRBVEDPPNHHAMH-LLVKDONJSA-N 2 0 296.415 -0.051 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000659699525 420451907 /nfs/dbraw/zinc/45/19/07/420451907.db2.gz WIXCFAMYRQQDGV-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000659704283 420452488 /nfs/dbraw/zinc/45/24/88/420452488.db2.gz JLKYTLMOZMPOJB-GFCCVEGCSA-N 2 0 282.388 -0.606 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000659704354 420452639 /nfs/dbraw/zinc/45/26/39/420452639.db2.gz KVVJFTDROZAEEP-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000659705226 420452751 /nfs/dbraw/zinc/45/27/51/420452751.db2.gz UIMXLXDZNPGVFP-GFCCVEGCSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000659706297 420452928 /nfs/dbraw/zinc/45/29/28/420452928.db2.gz KRSCXAWXWYLFDL-YPMHNXCESA-N 2 0 296.415 -0.156 20 0 CBADRP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659714002 420455720 /nfs/dbraw/zinc/45/57/20/420455720.db2.gz INCVFHZHOXDRKG-NSHDSACASA-N 2 0 294.399 -0.402 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000659714019 420455852 /nfs/dbraw/zinc/45/58/52/420455852.db2.gz IOSXFXRJRBFAKY-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659713182 420456189 /nfs/dbraw/zinc/45/61/89/420456189.db2.gz FBFYQHREDOBGPU-WDEREUQCSA-N 2 0 268.361 -0.935 20 0 CBADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)NC1C[NH2+]C1 ZINC000659715395 420456812 /nfs/dbraw/zinc/45/68/12/420456812.db2.gz TUDXPJUQVMZOLL-UHFFFAOYSA-N 2 0 294.399 -0.687 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C)[NH3+])C1 ZINC000659715460 420457038 /nfs/dbraw/zinc/45/70/38/420457038.db2.gz PFQCAWYSQVBCPG-VHSXEESVSA-N 2 0 256.350 -0.950 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000659715388 420457219 /nfs/dbraw/zinc/45/72/19/420457219.db2.gz SYXVVRUBYCZENQ-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000659714709 420457450 /nfs/dbraw/zinc/45/74/50/420457450.db2.gz LWVAXLJAYJZFDQ-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH3+])C1 ZINC000659718538 420458040 /nfs/dbraw/zinc/45/80/40/420458040.db2.gz QWLXQOSDVDIZKJ-ZJUUUORDSA-N 2 0 256.350 -0.950 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000659717502 420458250 /nfs/dbraw/zinc/45/82/50/420458250.db2.gz HZTOQQIQGZDDGY-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659716123 420458419 /nfs/dbraw/zinc/45/84/19/420458419.db2.gz WEIXUFZCDUCGMY-QWRGUYRKSA-N 2 0 282.388 -0.547 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000659719662 420458841 /nfs/dbraw/zinc/45/88/41/420458841.db2.gz JJLPZQHLTCKPSS-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000659725989 420460226 /nfs/dbraw/zinc/46/02/26/420460226.db2.gz GJCXNSSNYOHXFQ-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659731260 420460918 /nfs/dbraw/zinc/46/09/18/420460918.db2.gz BXDFIQMXMBUQNG-QWRGUYRKSA-N 2 0 268.361 -0.935 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659735268 420462161 /nfs/dbraw/zinc/46/21/61/420462161.db2.gz QVXAQYSLAQAMDA-GFCCVEGCSA-N 2 0 296.415 -0.025 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[NH2+]C)C2)C1 ZINC000659738303 420463384 /nfs/dbraw/zinc/46/33/84/420463384.db2.gz DMMIOZPRDLNDDE-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)C1 ZINC000659738283 420463425 /nfs/dbraw/zinc/46/34/25/420463425.db2.gz DGZVYXTZNWPHJU-RWMBFGLXSA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000659738181 420463822 /nfs/dbraw/zinc/46/38/22/420463822.db2.gz BEEVMHMUEKHYQL-WDEREUQCSA-N 2 0 268.361 -0.854 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[NH3+])C1 ZINC000659738213 420463907 /nfs/dbraw/zinc/46/39/07/420463907.db2.gz BVDBSXHWIAIURM-SNVBAGLBSA-N 2 0 256.350 -0.996 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000659739488 420464366 /nfs/dbraw/zinc/46/43/66/420464366.db2.gz VYZGKFYPYTVKPK-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000659739307 420464941 /nfs/dbraw/zinc/46/49/41/420464941.db2.gz QQFRZYUQPCCXNF-LLVKDONJSA-N 2 0 268.361 -0.981 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000659739485 420464974 /nfs/dbraw/zinc/46/49/74/420464974.db2.gz VRLBTVPICYSMCI-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000659749962 420466952 /nfs/dbraw/zinc/46/69/52/420466952.db2.gz KYSDTSYOCSIBQO-UTUOFQBUSA-N 2 0 282.388 -0.594 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659751336 420467126 /nfs/dbraw/zinc/46/71/26/420467126.db2.gz TWFRZWQIYSUQML-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP O=C(Nc1ccn([C@H]2CC[NH2+]C2)n1)[C@]1(F)CC[NH2+]C1 ZINC000583621420 420473887 /nfs/dbraw/zinc/47/38/87/420473887.db2.gz HEMWWOSDFAOOQD-CABZTGNLSA-N 2 0 267.308 0.058 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC000659879527 420476667 /nfs/dbraw/zinc/47/66/67/420476667.db2.gz VXJJNNJMMBJBPP-ZDUSSCGKSA-N 2 0 294.399 -0.638 20 0 CBADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(C(N)=O)C1 ZINC000660460866 420491713 /nfs/dbraw/zinc/49/17/13/420491713.db2.gz JFPIPROIHFLPHV-YPMHNXCESA-N 2 0 257.378 -0.115 20 0 CBADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(C(N)=O)C1 ZINC000660460865 420491902 /nfs/dbraw/zinc/49/19/02/420491902.db2.gz JFPIPROIHFLPHV-WCQYABFASA-N 2 0 257.378 -0.115 20 0 CBADRP COC[C@@]1(C(=O)N2CCC3(CC[NH2+]3)CC2)CC[NH2+]C1 ZINC000517738929 260000716 /nfs/dbraw/zinc/00/07/16/260000716.db2.gz HKDASOLPINFEQY-CYBMUJFWSA-N 2 0 267.373 -0.033 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000517745886 260022321 /nfs/dbraw/zinc/02/23/21/260022321.db2.gz MMNLETWHPFGHFS-LPEHRKFASA-N 2 0 256.350 -0.903 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000516926118 260290168 /nfs/dbraw/zinc/29/01/68/260290168.db2.gz ADCFBCPIAVIDKT-WUHRBBMRSA-N 2 0 275.356 -0.245 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](CC[NH3+])C(F)F)C1 ZINC000517922591 260319227 /nfs/dbraw/zinc/31/92/27/260319227.db2.gz LCSUCAYRAKEDKJ-BIIVOSGPSA-N 2 0 251.277 -0.538 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000517932368 260320012 /nfs/dbraw/zinc/32/00/12/260320012.db2.gz JSBXNGAWDMHRIP-CQSZACIVSA-N 2 0 291.399 -0.152 20 0 CBADRP COC[C@]1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC000518180749 260350760 /nfs/dbraw/zinc/35/07/60/260350760.db2.gz ZMSNEZCLWRQHDL-ZFWWWQNUSA-N 2 0 296.415 -0.881 20 0 CBADRP COC[C@@]1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC000518180746 260350806 /nfs/dbraw/zinc/35/08/06/260350806.db2.gz ZMSNEZCLWRQHDL-UKRRQHHQSA-N 2 0 296.415 -0.881 20 0 CBADRP CO[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C1CC1 ZINC000518365679 260383438 /nfs/dbraw/zinc/38/34/38/260383438.db2.gz LIUMLVPJUIHEMU-UONOGXRCSA-N 2 0 271.405 -0.391 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000521434314 262336461 /nfs/dbraw/zinc/33/64/61/262336461.db2.gz OIOSPGFBKSYDGP-VXGBXAGGSA-N 2 0 254.378 -0.604 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000519122961 265326672 /nfs/dbraw/zinc/32/66/72/265326672.db2.gz LGQPOGXKLJVSJB-GFCCVEGCSA-N 2 0 286.420 -0.114 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000519156807 265336271 /nfs/dbraw/zinc/33/62/71/265336271.db2.gz PBOMDPTWHMYWAK-MNOVXSKESA-N 2 0 268.361 -0.996 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000519156809 265336516 /nfs/dbraw/zinc/33/65/16/265336516.db2.gz PBOMDPTWHMYWAK-WDEREUQCSA-N 2 0 268.361 -0.996 20 0 CBADRP C[C@@]1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCC[NH2+]1 ZINC000519781212 265591151 /nfs/dbraw/zinc/59/11/51/265591151.db2.gz ZETZTUMGWNWUTJ-RISCZKNCSA-N 2 0 282.388 -0.558 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000516760717 269591536 /nfs/dbraw/zinc/59/15/36/269591536.db2.gz FEHHTNHYUAIQNG-WCQYABFASA-N 2 0 255.362 -0.272 20 0 CBADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000528754119 269628427 /nfs/dbraw/zinc/62/84/27/269628427.db2.gz HUXIDFZEQDIOFX-SBJFKYEJSA-N 2 0 285.432 -0.004 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529386315 269634051 /nfs/dbraw/zinc/63/40/51/269634051.db2.gz IFDSPRGATQLJGW-QJPTWQEYSA-N 2 0 270.377 -0.256 20 0 CBADRP O=C(N1CC[NH2+]CC1)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000530221520 269639944 /nfs/dbraw/zinc/63/99/44/269639944.db2.gz FRQWYCFRWNEWHQ-AWEZNQCLSA-N 3 0 295.431 -0.371 20 0 CBADRP CCCN(C(=O)C[C@@H]1COCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000367649969 275987227 /nfs/dbraw/zinc/98/72/27/275987227.db2.gz YFYBSLKIDFAVGT-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP CC(C)[C@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000418777525 276030129 /nfs/dbraw/zinc/03/01/29/276030129.db2.gz YNWXUDUNYZHFFT-QWHCGFSZSA-N 2 0 284.404 -0.044 20 0 CBADRP CC[N@H+](CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000351555307 276125426 /nfs/dbraw/zinc/12/54/26/276125426.db2.gz LHKGBHSUMWETMS-LBPRGKRZSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000419899348 276264886 /nfs/dbraw/zinc/26/48/86/276264886.db2.gz YOZXIMXTTVBSGT-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)COC2C[NH2+]C2)C1 ZINC000430784628 276307052 /nfs/dbraw/zinc/30/70/52/276307052.db2.gz QZUGIMYPQRZULN-LLVKDONJSA-N 2 0 255.362 -0.225 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000418919862 276332704 /nfs/dbraw/zinc/33/27/04/276332704.db2.gz BBLLPMSWBJFFPA-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)C1CC1 ZINC000419529988 276344951 /nfs/dbraw/zinc/34/49/51/276344951.db2.gz YPBXTTAUFJKNSN-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)CNC(=O)C[NH3+])c1ccccc1 ZINC000040802801 276789209 /nfs/dbraw/zinc/78/92/09/276789209.db2.gz MJTBILSTYMAKMO-GFCCVEGCSA-N 2 0 278.356 -0.520 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419133418 276833304 /nfs/dbraw/zinc/83/33/04/276833304.db2.gz GSBMXLHOUIFQKG-YNEHKIRRSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419887918 276867487 /nfs/dbraw/zinc/86/74/87/276867487.db2.gz JSMLUWPRCQNNQW-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP C[N@H+](C[C@@H](O)CN1CC[NH+](CCO)C(C)(C)C1)C1CC1 ZINC000685574352 545082065 /nfs/dbraw/zinc/08/20/65/545082065.db2.gz FHKGKNSGXPMNOR-CQSZACIVSA-N 2 0 285.432 -0.170 20 0 CBADRP C[N@H+](C[C@H](O)CN1CC[NH+](CCO)C(C)(C)C1)C1CC1 ZINC000685574351 545082152 /nfs/dbraw/zinc/08/21/52/545082152.db2.gz FHKGKNSGXPMNOR-AWEZNQCLSA-N 2 0 285.432 -0.170 20 0 CBADRP C[N@H+](C[C@H](O)CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000685562523 545082176 /nfs/dbraw/zinc/08/21/76/545082176.db2.gz RBBROGDYIKBNLC-HRCADAONSA-N 2 0 297.443 -0.028 20 0 CBADRP C[NH2+]CCC[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000435880607 277022385 /nfs/dbraw/zinc/02/23/85/277022385.db2.gz KGKDBZPKKANHSV-ZDUSSCGKSA-N 2 0 268.361 -0.094 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000430891756 277025441 /nfs/dbraw/zinc/02/54/41/277025441.db2.gz WZVJEGFBPVXTEU-VXGBXAGGSA-N 2 0 284.404 -0.455 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000419245060 277039651 /nfs/dbraw/zinc/03/96/51/277039651.db2.gz VCTOCWWCCVAZGH-LLVKDONJSA-N 2 0 282.388 -0.593 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)[C@H]2C1 ZINC000332291530 277139096 /nfs/dbraw/zinc/13/90/96/277139096.db2.gz TVDPMYKGDJORLF-UPJWGTAASA-N 2 0 294.399 -0.511 20 0 CBADRP COCCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000372508267 277207856 /nfs/dbraw/zinc/20/78/56/277207856.db2.gz RMERQUGPJVDYFS-CYBMUJFWSA-N 2 0 285.388 -0.454 20 0 CBADRP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCOCC[NH3+])C1 ZINC000357080746 277228892 /nfs/dbraw/zinc/22/88/92/277228892.db2.gz NDARLDRIBRVMOX-CHWSQXEVSA-N 2 0 287.404 -0.175 20 0 CBADRP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000262536648 277385583 /nfs/dbraw/zinc/38/55/83/277385583.db2.gz QKSJTBGDZMYRSW-OLZOCXBDSA-N 2 0 269.389 -0.054 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000419121551 277751473 /nfs/dbraw/zinc/75/14/73/277751473.db2.gz AUVUFWOGKFSFHP-MNOVXSKESA-N 2 0 272.393 -0.458 20 0 CBADRP CC1(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C[NH2+]C1 ZINC000422757620 278172303 /nfs/dbraw/zinc/17/23/03/278172303.db2.gz JWCKIWKRSQVNNO-GFCCVEGCSA-N 2 0 294.399 -0.734 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000419827039 278196650 /nfs/dbraw/zinc/19/66/50/278196650.db2.gz OHMOIGNZUQYTTF-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000417806802 278220603 /nfs/dbraw/zinc/22/06/03/278220603.db2.gz GWSGFFMQQQBSHH-GFCCVEGCSA-N 2 0 268.405 -0.214 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000420021001 278248349 /nfs/dbraw/zinc/24/83/49/278248349.db2.gz GRGPEWNTXIFGKK-SRVKXCTJSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351546309 278252487 /nfs/dbraw/zinc/25/24/87/278252487.db2.gz YREMMGNVTFAMGZ-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](CNC(=O)CNC(=O)C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000262369563 278269843 /nfs/dbraw/zinc/26/98/43/278269843.db2.gz IJONZSULVGTCAK-LBPRGKRZSA-N 2 0 292.383 -0.302 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC[NH2+]1 ZINC000423571706 278392229 /nfs/dbraw/zinc/39/22/29/278392229.db2.gz WKPIXBINSAVPQP-RWMBFGLXSA-N 2 0 294.399 -0.641 20 0 CBADRP C[C@H]1C[NH+](CCCNC(=O)[C@@H]2C[C@@H]2[NH3+])C[C@H](C)O1 ZINC000424133952 278431612 /nfs/dbraw/zinc/43/16/12/278431612.db2.gz MZMVTPULENXTSA-YFKTTZPYSA-N 2 0 255.362 -0.051 20 0 CBADRP CC(C)(CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000418843046 278612929 /nfs/dbraw/zinc/61/29/29/278612929.db2.gz RBPDIRXLNRPGGI-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000424184180 288078452 /nfs/dbraw/zinc/07/84/52/288078452.db2.gz XFCGFDWDLYHNRE-IJLUTSLNSA-N 2 0 255.362 -0.227 20 0 CBADRP CCC[C@H](C(=O)NC[C@@H]1C[NH2+]CCN1C)[NH+](C)C ZINC000423724893 278921838 /nfs/dbraw/zinc/92/18/38/278921838.db2.gz RXYRATAQKLZYDX-NWDGAFQWSA-N 2 0 256.394 -0.264 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000419150117 278976316 /nfs/dbraw/zinc/97/63/16/278976316.db2.gz LUOPYNQGVYVONU-RYUDHWBXSA-N 2 0 286.420 -0.068 20 0 CBADRP CC[N@H+](CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)C1CC1 ZINC000376075129 279051870 /nfs/dbraw/zinc/05/18/70/279051870.db2.gz UAAWBIKEQHUBFO-CQSZACIVSA-N 2 0 280.416 -0.023 20 0 CBADRP CC[NH+](CC)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351534073 279105335 /nfs/dbraw/zinc/10/53/35/279105335.db2.gz CMPLFLKQFBWWNF-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418952165 279114563 /nfs/dbraw/zinc/11/45/63/279114563.db2.gz VGZPDLHLXYDHPT-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000418936799 279126208 /nfs/dbraw/zinc/12/62/08/279126208.db2.gz KIOWNAMJZNQWPL-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000418957401 279126821 /nfs/dbraw/zinc/12/68/21/279126821.db2.gz ZMLPVUWQWQTLDJ-JTQLQIEISA-N 2 0 272.393 -0.314 20 0 CBADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000479295485 279134967 /nfs/dbraw/zinc/13/49/67/279134967.db2.gz LAGUPQXSNQJIGA-JHJVBQTASA-N 2 0 269.389 -0.101 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419784566 279154898 /nfs/dbraw/zinc/15/48/98/279154898.db2.gz RATPNMHBVPWVKP-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)C[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)[NH+](C)C ZINC000040831318 279159645 /nfs/dbraw/zinc/15/96/45/279159645.db2.gz CAUVCDGWAKUWBP-WOPDTQHZSA-N 2 0 257.378 -0.198 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419839470 279166528 /nfs/dbraw/zinc/16/65/28/279166528.db2.gz HLSPUQHZDPZOIZ-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCC1([NH3+])CCC1)C(C)C ZINC000420143067 279190614 /nfs/dbraw/zinc/19/06/14/279190614.db2.gz ZXCVBTKADLPMSN-UHFFFAOYSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419333157 288115052 /nfs/dbraw/zinc/11/50/52/288115052.db2.gz LKWCSMAVMQFUDA-WZRBSPASSA-N 2 0 294.399 -0.547 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419596373 279268337 /nfs/dbraw/zinc/26/83/37/279268337.db2.gz YADWEWAPNASUBV-OLZOCXBDSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419595432 279279225 /nfs/dbraw/zinc/27/92/25/279279225.db2.gz WUIVINNZZOENTC-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000355262519 279283276 /nfs/dbraw/zinc/28/32/76/279283276.db2.gz HAJVNGFQPIPNTF-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000332390280 279283691 /nfs/dbraw/zinc/28/36/91/279283691.db2.gz WTDCOCVIENEIOH-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000420021105 279306415 /nfs/dbraw/zinc/30/64/15/279306415.db2.gz UALRVIBLLUNRPC-NEPJUHHUSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000420141096 279307570 /nfs/dbraw/zinc/30/75/70/279307570.db2.gz JETFXMRYXBKURQ-XQQFMLRXSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CC[NH2+]CC1)[N@H+](C)C1CC1 ZINC000419587181 279325331 /nfs/dbraw/zinc/32/53/31/279325331.db2.gz NNDAUNXSFWZVJU-SNVBAGLBSA-N 2 0 268.361 -0.983 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[N@H+](C)C1CC1 ZINC000419576848 279325569 /nfs/dbraw/zinc/32/55/69/279325569.db2.gz CNASCCTZLXHGIE-IJLUTSLNSA-N 2 0 296.415 -0.206 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000187885956 279335397 /nfs/dbraw/zinc/33/53/97/279335397.db2.gz IFUUOHIOAGXXPC-SDDRHHMPSA-N 2 0 255.362 -0.036 20 0 CBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424162303 279359106 /nfs/dbraw/zinc/35/91/06/279359106.db2.gz ZKSXNKJEIAWLJH-XQQFMLRXSA-N 2 0 268.405 -0.277 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)NCC[NH+]1CCSCC1 ZINC000226390152 279790661 /nfs/dbraw/zinc/79/06/61/279790661.db2.gz VQZNEZVLXVOHOC-LLVKDONJSA-N 2 0 273.402 -0.470 20 0 CBADRP C[NH2+]CCC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000576819483 335251240 /nfs/dbraw/zinc/25/12/40/335251240.db2.gz HLEUMPZTSGNJRW-LBPRGKRZSA-N 2 0 257.378 -0.195 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000419998007 280283469 /nfs/dbraw/zinc/28/34/69/280283469.db2.gz MHKIXVSFCBIHMT-NWDGAFQWSA-N 2 0 284.404 -0.362 20 0 CBADRP CC[C@@H]1CN(C(=O)COC2C[NH2+]C2)CC[N@@H+]1C[C@H](C)O ZINC000430743300 280350642 /nfs/dbraw/zinc/35/06/42/280350642.db2.gz QWQGZZQIALWVCM-NWDGAFQWSA-N 2 0 285.388 -0.722 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[N@@H+]1C[C@H](C)O ZINC000246748178 280378891 /nfs/dbraw/zinc/37/88/91/280378891.db2.gz ZQDIGYUFGXQDJA-YNEHKIRRSA-N 2 0 285.388 -0.722 20 0 CBADRP O[C@H]1COC[C@H]1[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000340292765 280445531 /nfs/dbraw/zinc/44/55/31/280445531.db2.gz ZBXIYEQOCBUVCT-KGLIPLIRSA-N 2 0 270.373 -0.210 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000332560514 288307642 /nfs/dbraw/zinc/30/76/42/288307642.db2.gz QDUZRLOOQKOVTD-AGIUHOORSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000249092266 288311142 /nfs/dbraw/zinc/31/11/42/288311142.db2.gz WJLMKNXWCWQJID-GRYCIOLGSA-N 2 0 253.346 -0.330 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)CCC1 ZINC000419220069 282027587 /nfs/dbraw/zinc/02/75/87/282027587.db2.gz BBXDRNGSYXMIIU-NSHDSACASA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)CCC[NH3+])CC1 ZINC000430772400 282050864 /nfs/dbraw/zinc/05/08/64/282050864.db2.gz LSLRFIPNJPRQMI-UHFFFAOYSA-N 2 0 256.394 -0.133 20 0 CBADRP CC[C@]1(C(=O)NC[C@@H]2C[NH2+]CCN2C)CCC[NH2+]1 ZINC000449696764 288427788 /nfs/dbraw/zinc/42/77/88/288427788.db2.gz LEVOSBJLYRYPFU-WCQYABFASA-N 2 0 254.378 -0.462 20 0 CBADRP COCC[C@@]1(C(=O)NC[C@@H]([NH3+])C2CC2)CC[NH2+]C1 ZINC000378314789 292660413 /nfs/dbraw/zinc/66/04/13/292660413.db2.gz LJLNTLGLVWVSON-YPMHNXCESA-N 2 0 255.362 -0.144 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)CCCC1 ZINC000418834471 289043166 /nfs/dbraw/zinc/04/31/66/289043166.db2.gz LXWZQUFIWLYYPY-LBPRGKRZSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CCC[C@H]2C[NH3+])CCC[N@@H+]1C ZINC000419556015 289048956 /nfs/dbraw/zinc/04/89/56/289048956.db2.gz JZMJEMYCSROJMA-GRYCIOLGSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)CCC[N@@H+]1C ZINC000347799530 289049267 /nfs/dbraw/zinc/04/92/67/289049267.db2.gz ZMQZNFKKIQWYMJ-JHJVBQTASA-N 2 0 296.415 -0.252 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])CCC[N@@H+]1C ZINC000419557296 289049576 /nfs/dbraw/zinc/04/95/76/289049576.db2.gz MFNPQYNFXZLJDI-NXEZZACHSA-N 2 0 270.377 -0.561 20 0 CBADRP C[NH+](C)C1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000354742725 289066258 /nfs/dbraw/zinc/06/62/58/289066258.db2.gz QAZCNJMBSJEUOC-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CC1(CNC(=O)C(=O)NCCC[NH3+])CCCC1 ZINC000418823651 289086498 /nfs/dbraw/zinc/08/64/98/289086498.db2.gz NXPQTCUPTFVUNN-UHFFFAOYSA-N 2 0 284.404 -0.310 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000459896493 289126166 /nfs/dbraw/zinc/12/61/66/289126166.db2.gz MTLRZJNQPSDHMA-UHFFFAOYSA-N 2 0 284.404 -0.441 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423058946 289126478 /nfs/dbraw/zinc/12/64/78/289126478.db2.gz DKNGTVRKVPPVQU-YNEHKIRRSA-N 2 0 296.415 -0.408 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420089925 289127436 /nfs/dbraw/zinc/12/74/36/289127436.db2.gz SSXLMJXZPKJEEQ-GFCCVEGCSA-N 2 0 284.404 -0.360 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351760003 289127792 /nfs/dbraw/zinc/12/77/92/289127792.db2.gz FJWMZCYOKZSRMR-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000339634253 289290659 /nfs/dbraw/zinc/29/06/59/289290659.db2.gz POHRUELMWOZLSC-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000419137192 289297935 /nfs/dbraw/zinc/29/79/35/289297935.db2.gz OPZRDEVHKNGDFN-VXGBXAGGSA-N 2 0 296.415 -0.027 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000332314495 289304399 /nfs/dbraw/zinc/30/43/99/289304399.db2.gz NJPJGENRJJGSKN-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](C(=O)NC(N)=O)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357089218 289339690 /nfs/dbraw/zinc/33/96/90/289339690.db2.gz YQGQLPKPFUPHFR-MWLCHTKSSA-N 2 0 268.361 -0.109 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)C[C@@H]1COCC[NH2+]1)C1CC1 ZINC000262312802 289353130 /nfs/dbraw/zinc/35/31/30/289353130.db2.gz DAGRZXGIMVAKFX-VXGBXAGGSA-N 2 0 255.362 -0.179 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000420066184 289368546 /nfs/dbraw/zinc/36/85/46/289368546.db2.gz QSKCUMCUJXPVHR-NWDGAFQWSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000375832087 289528868 /nfs/dbraw/zinc/52/88/68/289528868.db2.gz BJEMDGPFRSOZEM-IJLUTSLNSA-N 2 0 255.362 -0.361 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000449699543 290061322 /nfs/dbraw/zinc/06/13/22/290061322.db2.gz QCWQEEVRQXYJER-YPMHNXCESA-N 2 0 254.378 -0.462 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)CCOC2C[NH2+]C2)C[C@@H]1C ZINC000348988562 290092069 /nfs/dbraw/zinc/09/20/69/290092069.db2.gz BAVJCBLPNDRYME-RYUDHWBXSA-N 2 0 285.388 -0.722 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000333813735 290095684 /nfs/dbraw/zinc/09/56/84/290095684.db2.gz JULOVMGDHLFFRR-AGIUHOORSA-N 2 0 284.404 -0.165 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C[C@@H]21 ZINC000418679085 290163511 /nfs/dbraw/zinc/16/35/11/290163511.db2.gz WKKHGCMSYUIMNY-GCHJQGSQSA-N 2 0 250.346 -0.450 20 0 CBADRP C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000418675994 290249442 /nfs/dbraw/zinc/24/94/42/290249442.db2.gz SDIMHSLBSGPMJP-SFTQSGBHSA-N 2 0 264.373 -0.059 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CCC[NH2+]CC2)C[C@H]1[NH+](C)C ZINC000124718964 300096772 /nfs/dbraw/zinc/09/67/72/300096772.db2.gz IVPBLLOWFNAMES-NWDGAFQWSA-N 2 0 282.388 -0.783 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@H]([NH3+])CC(F)F ZINC000379818101 335091162 /nfs/dbraw/zinc/09/11/62/335091162.db2.gz ROWIIPNIKMXBNF-MRVPVSSYSA-N 2 0 253.293 -0.337 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000373172382 294418534 /nfs/dbraw/zinc/41/85/34/294418534.db2.gz IXWSRCLZBUAVIM-NNYUYHANSA-N 2 0 255.362 -0.064 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[C@H]1CCC[C@H]1[NH3+] ZINC000340117754 295109989 /nfs/dbraw/zinc/10/99/89/295109989.db2.gz DEDJDIFJMXZOHN-UPJWGTAASA-N 2 0 296.415 -0.040 20 0 CBADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000366782494 295215110 /nfs/dbraw/zinc/21/51/10/295215110.db2.gz WLMJCDZVXZEMSO-UPKCKDIQSA-N 2 0 267.373 -0.269 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CC[NH3+])C1 ZINC000430897916 295225244 /nfs/dbraw/zinc/22/52/44/295225244.db2.gz RZMZWKUUZHFQCO-JTQLQIEISA-N 2 0 256.350 -0.961 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)O1 ZINC000375704904 295274751 /nfs/dbraw/zinc/27/47/51/295274751.db2.gz OCXRDGLPHNCPII-KXNHARMFSA-N 2 0 253.346 -0.154 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000423151630 295317654 /nfs/dbraw/zinc/31/76/54/295317654.db2.gz KHHJQDCYHWDBRH-OLZOCXBDSA-N 2 0 294.399 -0.367 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000331677611 295339423 /nfs/dbraw/zinc/33/94/23/295339423.db2.gz RKLNPLHZTMEFAS-LBPRGKRZSA-N 2 0 294.399 -0.367 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC[NH+]1CCCC1 ZINC000354688543 295475568 /nfs/dbraw/zinc/47/55/68/295475568.db2.gz JCYWPWZNTVAMBJ-LBPRGKRZSA-N 2 0 282.388 -0.543 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]CC1)NCCN1CC[NH2+]CC1 ZINC000368752291 295534668 /nfs/dbraw/zinc/53/46/68/295534668.db2.gz YYORWFUHGFCBOA-CYBMUJFWSA-N 2 0 268.405 -0.212 20 0 CBADRP CSCC[C@H]([NH3+])C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000157336317 295604721 /nfs/dbraw/zinc/60/47/21/295604721.db2.gz ORISWTCFDKLMPL-MNOVXSKESA-N 2 0 275.418 -0.144 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C[N@@H+]1C1CC1 ZINC000333365569 297274705 /nfs/dbraw/zinc/27/47/05/297274705.db2.gz LSWWUOQHRWOJFD-VXGBXAGGSA-N 2 0 294.399 -0.005 20 0 CBADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419126843 298579183 /nfs/dbraw/zinc/57/91/83/298579183.db2.gz YNCZWUOARLXZIC-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])C[NH+]1CCCCC1 ZINC000420032731 298679671 /nfs/dbraw/zinc/67/96/71/298679671.db2.gz UTUMIDWTMMXDPG-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1CC(C)(C)O ZINC000418394630 300156361 /nfs/dbraw/zinc/15/63/61/300156361.db2.gz XZXYBNIDJCEECI-RYUDHWBXSA-N 2 0 284.404 -0.165 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000575309722 335091975 /nfs/dbraw/zinc/09/19/75/335091975.db2.gz URJGHTQRNWSXCP-GHMZBOCLSA-N 2 0 270.377 -0.512 20 0 CBADRP NC(=O)NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000228474807 303268748 /nfs/dbraw/zinc/26/87/48/303268748.db2.gz YWAPKDCRXBNIAW-AEJSXWLSSA-N 2 0 254.334 -0.369 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCC[NH3+] ZINC000430902934 303374321 /nfs/dbraw/zinc/37/43/21/303374321.db2.gz DCWJFQVLWHGBIQ-SNVBAGLBSA-N 2 0 256.350 -0.819 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000132200910 303382980 /nfs/dbraw/zinc/38/29/80/303382980.db2.gz JHGYFHMQYBOIPF-GXFFZTMASA-N 2 0 286.351 -0.999 20 0 CBADRP [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000364726620 303427209 /nfs/dbraw/zinc/42/72/09/303427209.db2.gz ZKRCGXOPSUMFAQ-PSASIEDQSA-N 2 0 263.345 -0.087 20 0 CBADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCCN1CC[NH2+]CC1 ZINC000449083322 303451448 /nfs/dbraw/zinc/45/14/48/303451448.db2.gz SWKJCRUJMQZBQK-CHWSQXEVSA-N 2 0 268.405 -0.085 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000368561133 303645530 /nfs/dbraw/zinc/64/55/30/303645530.db2.gz JZGAEQRMHZPWLV-TZMCWYRMSA-N 2 0 267.373 -0.033 20 0 CBADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000570715656 327613947 /nfs/dbraw/zinc/61/39/47/327613947.db2.gz LYCCKGUZOPGZDA-VNHYZAJKSA-N 2 0 278.400 -0.508 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]([NH3+])CCC(=O)OC)C1 ZINC000584350116 328730468 /nfs/dbraw/zinc/73/04/68/328730468.db2.gz OZMMKSLBGDIXBG-NXEZZACHSA-N 2 0 257.334 -0.523 20 0 CBADRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H](C)[NH3+] ZINC000570943070 327682503 /nfs/dbraw/zinc/68/25/03/327682503.db2.gz PMUXSSOPJIEQPG-NWDGAFQWSA-N 3 0 273.425 -0.143 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cn(CCC[NH3+])nn1 ZINC000580063603 327688668 /nfs/dbraw/zinc/68/86/68/327688668.db2.gz RHZWQSWHDWWWES-ZYHUDNBSSA-N 2 0 280.376 -0.031 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000580098000 327698238 /nfs/dbraw/zinc/69/82/38/327698238.db2.gz SZZNCBSUYHBFEH-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000563116122 327925770 /nfs/dbraw/zinc/92/57/70/327925770.db2.gz ZIUDNWASYXTLMU-ZJUUUORDSA-N 2 0 279.344 -0.795 20 0 CBADRP C[C@@H]([NH3+])C1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000563100162 327924370 /nfs/dbraw/zinc/92/43/70/327924370.db2.gz QXNCYWQVOOMWMU-DGCLKSJQSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000563100163 327924378 /nfs/dbraw/zinc/92/43/78/327924378.db2.gz QXNCYWQVOOMWMU-WCQYABFASA-N 2 0 296.415 -0.170 20 0 CBADRP O=C(C[NH2+]CC1CC1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000563101447 327924427 /nfs/dbraw/zinc/92/44/27/327924427.db2.gz NODPHGCKDXTARJ-UHFFFAOYSA-N 2 0 279.348 -0.848 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000563144895 327929828 /nfs/dbraw/zinc/92/98/28/327929828.db2.gz UFKZWBBSWWRNEL-SRVKXCTJSA-N 2 0 284.404 -0.362 20 0 CBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000563156662 327932108 /nfs/dbraw/zinc/93/21/08/327932108.db2.gz IIOLEQUWKCMOLF-BXUZGUMPSA-N 2 0 284.404 -0.266 20 0 CBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000563162379 327941273 /nfs/dbraw/zinc/94/12/73/327941273.db2.gz CPAXGUBXPOEILM-DMDPSCGWSA-N 2 0 253.346 -0.689 20 0 CBADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@]2(COC)CC[NH2+]C2)C1 ZINC000571044900 327982192 /nfs/dbraw/zinc/98/21/92/327982192.db2.gz KZEIMXPODDWPQZ-YPMHNXCESA-N 2 0 255.362 -0.320 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000567368498 328061157 /nfs/dbraw/zinc/06/11/57/328061157.db2.gz XXDYZSUZTSCZJL-YNEHKIRRSA-N 3 0 266.389 -0.380 20 0 CBADRP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)NCC[NH+](C)C ZINC000563403865 328062838 /nfs/dbraw/zinc/06/28/38/328062838.db2.gz PMJSCKKTOXWHES-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP O=C(CC[NH2+]C1CC1)NCC[N@@H+]1CCCOCC1 ZINC000563411165 328064343 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[NH3+]CC[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000566212310 327196893 /nfs/dbraw/zinc/19/68/93/327196893.db2.gz RDHYUKSNHXDVRW-SFYZADRCSA-N 2 0 296.293 -0.750 20 0 CBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000564939810 327198881 /nfs/dbraw/zinc/19/88/81/327198881.db2.gz OTRLWSLDHSVNEV-NEPJUHHUSA-N 2 0 254.378 -0.604 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@]2(COC)CC[NH2+]C2)C1 ZINC000569572872 327199384 /nfs/dbraw/zinc/19/93/84/327199384.db2.gz GFDZBLUQHSELCO-YPMHNXCESA-N 2 0 255.362 -0.177 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000564947848 327248967 /nfs/dbraw/zinc/24/89/67/327248967.db2.gz WOJDKDAKKBCZAG-ZJUUUORDSA-N 2 0 263.345 -0.032 20 0 CBADRP COCCCNC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000566244890 327257653 /nfs/dbraw/zinc/25/76/53/327257653.db2.gz KOTQKUKNCFIYDD-HIFRSBDPSA-N 2 0 299.415 -0.033 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000573798097 327257951 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CC[N@H+](C)C[C@H](O)CN1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000574530246 327343713 /nfs/dbraw/zinc/34/37/13/327343713.db2.gz VNBFKYYIYYLDTE-NEPJUHHUSA-N 2 0 293.433 -0.701 20 0 CBADRP CC(C)NC(=O)CN(C)CC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000561160462 327370593 /nfs/dbraw/zinc/37/05/93/327370593.db2.gz GJZIBQOCPOEAGU-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000561256817 327379983 /nfs/dbraw/zinc/37/99/83/327379983.db2.gz PGKVIPCDJDGPJA-UHFFFAOYSA-N 2 0 296.415 -0.347 20 0 CBADRP CCO[C@H]1C[C@@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000572619419 327393467 /nfs/dbraw/zinc/39/34/67/327393467.db2.gz LUMCDORCGGHMPQ-SDDRHHMPSA-N 2 0 270.377 -0.162 20 0 CBADRP C[C@@]1(CNC(=O)c2cn(CC[NH3+])nn2)CCC[NH2+]C1 ZINC000566507405 327402489 /nfs/dbraw/zinc/40/24/89/327402489.db2.gz AALIVVCNGNPYDB-GFCCVEGCSA-N 2 0 266.349 -0.644 20 0 CBADRP [NH3+]CCC1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000565151878 327523005 /nfs/dbraw/zinc/52/30/05/327523005.db2.gz 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CO[C@@H](C[NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000583321130 329450885 /nfs/dbraw/zinc/45/08/85/329450885.db2.gz LXNFPBSFKMXTJA-LBPRGKRZSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000583321303 329450893 /nfs/dbraw/zinc/45/08/93/329450893.db2.gz ZCYZDTPIFHHZMT-CHWSQXEVSA-N 2 0 268.405 -0.214 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000583811187 329480723 /nfs/dbraw/zinc/48/07/23/329480723.db2.gz JPZZWWUXNBMDMX-GUBZILKMSA-N 2 0 257.334 -0.537 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C[NH2+]C2CC2)C1 ZINC000583811084 329480844 /nfs/dbraw/zinc/48/08/44/329480844.db2.gz AHGYYYXAPFRHAD-JTQLQIEISA-N 2 0 268.361 -0.948 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000571755029 329917564 /nfs/dbraw/zinc/91/75/64/329917564.db2.gz JPMRCYTVYRLFMX-SDDRHHMPSA-N 2 0 284.404 -0.184 20 0 CBADRP [NH3+][C@H](C(=O)NCCCN1CC[NH2+]CC1)C1CCC1 ZINC000571760916 329917844 /nfs/dbraw/zinc/91/78/44/329917844.db2.gz 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CC(C)[NH2+]CCC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000580450694 330138149 /nfs/dbraw/zinc/13/81/49/330138149.db2.gz OJNPWANTPRDSNX-GHMZBOCLSA-N 2 0 268.361 -0.855 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000572481061 330627243 /nfs/dbraw/zinc/62/72/43/330627243.db2.gz OEKFLDOHHVZYRL-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)C1 ZINC000575409040 335101397 /nfs/dbraw/zinc/10/13/97/335101397.db2.gz CPHMAOSKBMOFHD-SYQHCUMBSA-N 2 0 297.399 -0.458 20 0 CBADRP COC(=O)[C@H]1CC[C@@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000580532978 335107802 /nfs/dbraw/zinc/10/78/02/335107802.db2.gz XHFIRZGHHZGQLS-QJPTWQEYSA-N 2 0 298.387 -0.388 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000566068831 334620001 /nfs/dbraw/zinc/62/00/01/334620001.db2.gz FWSVTRLROIGXPW-IHRRRGAJSA-N 2 0 271.405 -0.512 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])nn1 ZINC000566748485 334663110 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C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000576092318 335152092 /nfs/dbraw/zinc/15/20/92/335152092.db2.gz HLMXRUPAASQVGR-WOPDTQHZSA-N 2 0 254.378 -0.606 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000576108983 335155678 /nfs/dbraw/zinc/15/56/78/335155678.db2.gz HLVJOZYUDYGIPU-HZSPNIEDSA-N 2 0 280.416 -0.119 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000576157917 335161967 /nfs/dbraw/zinc/16/19/67/335161967.db2.gz WGCLTCRECBHQRP-MNOVXSKESA-N 2 0 271.361 -0.133 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000576160436 335162417 /nfs/dbraw/zinc/16/24/17/335162417.db2.gz HFMXKYIUGBRPIK-MNOVXSKESA-N 2 0 284.404 -0.171 20 0 CBADRP CCNC(=O)NC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174715910 335164285 /nfs/dbraw/zinc/16/42/85/335164285.db2.gz LCBWPPUUNYMPBH-UHFFFAOYSA-N 2 0 299.419 -0.599 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000564840533 334523479 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C[C@H]([NH2+]C1CC1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000566189416 334634055 /nfs/dbraw/zinc/63/40/55/334634055.db2.gz IRFATLNZTKHFTM-WCQYABFASA-N 2 0 266.389 -0.367 20 0 CBADRP C[C@]1(C[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000566229749 334637166 /nfs/dbraw/zinc/63/71/66/334637166.db2.gz MOAPDUFBLZMQRC-NEPJUHHUSA-N 2 0 275.418 -0.143 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000566236619 334637700 /nfs/dbraw/zinc/63/77/00/334637700.db2.gz HQHGRAZXGBPEEN-GHMZBOCLSA-N 2 0 272.393 -0.314 20 0 CBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCC[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000566572195 334656111 /nfs/dbraw/zinc/65/61/11/334656111.db2.gz AHIIZLSDSJAQEN-UTUOFQBUSA-N 2 0 295.387 -0.918 20 0 CBADRP [NH3+]CCc1ccccc1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000567244886 334697027 /nfs/dbraw/zinc/69/70/27/334697027.db2.gz VRMQZHFGJMIIDZ-GFCCVEGCSA-N 2 0 263.341 -0.013 20 0 CBADRP O=C(NCC[C@H]1CC[NH2+]C1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000567383684 334711113 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-0.191 20 0 CBADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)[NH3+])C2)CC1 ZINC000567818137 334764289 /nfs/dbraw/zinc/76/42/89/334764289.db2.gz ATGZVFROEIBLQX-QWHCGFSZSA-N 2 0 268.405 -0.040 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000567834824 334766342 /nfs/dbraw/zinc/76/63/42/334766342.db2.gz HMQMAXUUUOQLKV-LBPRGKRZSA-N 2 0 293.371 -0.207 20 0 CBADRP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H](C[NH3+])C1CC1 ZINC000567847200 334767745 /nfs/dbraw/zinc/76/77/45/334767745.db2.gz CJIYQASTAVPEJD-QWRGUYRKSA-N 2 0 268.361 -0.950 20 0 CBADRP C[C@H](CNC(=O)[C@]1(C)CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000567983004 334781282 /nfs/dbraw/zinc/78/12/82/334781282.db2.gz FYPOCQBGVDCLDU-OCCSQVGLSA-N 2 0 268.405 -0.119 20 0 CBADRP C[C@@H](NC(=O)CCOC1C[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000568076351 334790164 /nfs/dbraw/zinc/79/01/64/334790164.db2.gz GCHLPUGHJITBHF-GHMZBOCLSA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@](C)(O)C[NH+](C)C)n1 ZINC000568195665 334803405 /nfs/dbraw/zinc/80/34/05/334803405.db2.gz NILQGJXUFBCJPA-CQSZACIVSA-N 2 0 297.403 -0.513 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000568230386 334806440 /nfs/dbraw/zinc/80/64/40/334806440.db2.gz YJWRBGJOHBMYQE-NEPJUHHUSA-N 2 0 254.378 -0.604 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000568382215 334821072 /nfs/dbraw/zinc/82/10/72/334821072.db2.gz SNDXELWQXBKFIE-JZRPKSSGSA-N 2 0 267.373 -0.051 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000568383896 334821303 /nfs/dbraw/zinc/82/13/03/334821303.db2.gz NYIFYQYYCIKLDP-FIQHERPVSA-N 2 0 253.346 -0.569 20 0 CBADRP C[NH2+][C@@H](C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000568413734 334823909 /nfs/dbraw/zinc/82/39/09/334823909.db2.gz OZSOAKBDNGWBFQ-DTWKUNHWSA-N 2 0 282.310 -0.453 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000569086755 334854451 /nfs/dbraw/zinc/85/44/51/334854451.db2.gz JRJYBFXKYPIZBA-XQQFMLRXSA-N 2 0 281.404 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O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000576520925 335214414 /nfs/dbraw/zinc/21/44/14/335214414.db2.gz OAVVOUTXVYADAU-STQMWFEESA-N 2 0 294.399 -0.402 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000576581842 335221874 /nfs/dbraw/zinc/22/18/74/335221874.db2.gz RJWRYSHZLCEFRZ-WDEREUQCSA-N 2 0 270.377 -0.845 20 0 CBADRP CC[NH2+]CCCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000576635276 335228578 /nfs/dbraw/zinc/22/85/78/335228578.db2.gz NSQGUTFXXNRVQQ-UHFFFAOYSA-N 2 0 254.338 -0.644 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)C[NH+]1CCCCC1 ZINC000576809462 335249944 /nfs/dbraw/zinc/24/99/44/335249944.db2.gz URXSGYLNNLXLDF-NSHDSACASA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000576821844 335251903 /nfs/dbraw/zinc/25/19/03/335251903.db2.gz ARZQEWBIUDMBFG-PWSUYJOCSA-N 2 0 292.387 -0.070 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)NCc1cn2ccccc2n1 ZINC000576888800 335261081 /nfs/dbraw/zinc/26/10/81/335261081.db2.gz QZVDBBKRANUIMK-UHFFFAOYSA-N 2 0 289.339 -0.242 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000576943371 335267321 /nfs/dbraw/zinc/26/73/21/335267321.db2.gz FILREGIJNKYZPG-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NCC[N@H+]2CC=CCC2)nn1 ZINC000576986590 335273891 /nfs/dbraw/zinc/27/38/91/335273891.db2.gz NLOHNSYIWQMFMQ-UHFFFAOYSA-N 2 0 278.360 -0.381 20 0 CBADRP O=C(CC[C@@H]1CC[NH2+]C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000580560602 335281166 /nfs/dbraw/zinc/28/11/66/335281166.db2.gz OAYBYXAEZFJWAQ-ZIAGYGMSSA-N 2 0 280.416 -0.118 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC[C@@H]1CCC[NH2+]C1 ZINC000580561666 335281807 /nfs/dbraw/zinc/28/18/07/335281807.db2.gz OFMHKKNBRIWJJZ-NWDGAFQWSA-N 2 0 282.388 -0.640 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC[C@H]1CCC[NH2+]C1 ZINC000580561665 335281958 /nfs/dbraw/zinc/28/19/58/335281958.db2.gz OFMHKKNBRIWJJZ-NEPJUHHUSA-N 2 0 282.388 -0.640 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCC(=O)N1CC[NH2+]CC1 ZINC000580565106 335287159 /nfs/dbraw/zinc/28/71/59/335287159.db2.gz VKOLVILZVHSILM-LBPRGKRZSA-N 3 0 268.405 -0.214 20 0 CBADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCC(=O)N1CC[NH2+]CC1 ZINC000580565105 335287187 /nfs/dbraw/zinc/28/71/87/335287187.db2.gz VKOLVILZVHSILM-GFCCVEGCSA-N 3 0 268.405 -0.214 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000577047879 335289528 /nfs/dbraw/zinc/28/95/28/335289528.db2.gz XWFNOZJEDXNZHE-AWEZNQCLSA-N 2 0 295.431 -0.230 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@@H](C[NH3+])C2CCCC2)nn1 ZINC000580583658 335291326 /nfs/dbraw/zinc/29/13/26/335291326.db2.gz VTQROJPQQFMKJW-JTQLQIEISA-N 2 0 266.349 -0.516 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000577060034 335293111 /nfs/dbraw/zinc/29/31/11/335293111.db2.gz FYHHJSYGWTYSTC-OLZOCXBDSA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000581070733 335295352 /nfs/dbraw/zinc/29/53/52/335295352.db2.gz BFRIYWCXSFLJRC-MNOVXSKESA-N 2 0 270.377 -0.573 20 0 CBADRP C[NH2+]CCCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000577219837 335324831 /nfs/dbraw/zinc/32/48/31/335324831.db2.gz FDETVXOMFFCRJS-SECBINFHSA-N 2 0 251.334 -0.174 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000577270575 335332705 /nfs/dbraw/zinc/33/27/05/335332705.db2.gz NEFKJEMIQRAJBL-RAIGVLPGSA-N 2 0 294.399 -0.465 20 0 CBADRP COC[C@]1(CNC(=O)CCOC2C[NH2+]C2)CCC[NH2+]1 ZINC000577385265 335346191 /nfs/dbraw/zinc/34/61/91/335346191.db2.gz IPRDHCZXHDBFGO-CYBMUJFWSA-N 2 0 271.361 -0.750 20 0 CBADRP C[N@H+](CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C1CC1 ZINC000577509817 335362460 /nfs/dbraw/zinc/36/24/60/335362460.db2.gz UDBBQGRPVCLKCV-VXGBXAGGSA-N 2 0 295.387 -0.966 20 0 CBADRP COCC[NH2+]CC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000577512381 335363062 /nfs/dbraw/zinc/36/30/62/335363062.db2.gz ODXZZYGLHBILJR-ZETCQYMHSA-N 2 0 257.256 -0.382 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CC1(C[NH3+])CC1 ZINC000577629366 335382446 /nfs/dbraw/zinc/38/24/46/335382446.db2.gz XSNLNGLPHKBEJD-LLVKDONJSA-N 2 0 282.388 -0.429 20 0 CBADRP C[NH+](C)CCOCCNC(=O)COC1CCC([NH3+])CC1 ZINC000577727269 335392933 /nfs/dbraw/zinc/39/29/33/335392933.db2.gz ASKMPZBJAHLBOQ-UHFFFAOYSA-N 2 0 287.404 -0.033 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000577747859 335396707 /nfs/dbraw/zinc/39/67/07/335396707.db2.gz CRWCUSQGNXIBGL-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@]2(C)CCCO2)CC1 ZINC000577859839 335412658 /nfs/dbraw/zinc/41/26/58/335412658.db2.gz JNYKQRSIYZQANK-KBPBESRZSA-N 2 0 271.405 -0.247 20 0 CBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CCN2C1=O ZINC000577964062 335441263 /nfs/dbraw/zinc/44/12/63/335441263.db2.gz XHWFZLYOZQOBRW-QCNOEVLYSA-N 2 0 280.372 -0.726 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000578015914 335461119 /nfs/dbraw/zinc/46/11/19/335461119.db2.gz BOLYIAIPBHJDHD-TXEJJXNPSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000578191455 335550733 /nfs/dbraw/zinc/55/07/33/335550733.db2.gz NTPVRQVQZJFGIG-UWVGGRQHSA-N 2 0 266.349 -0.645 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000578191423 335550750 /nfs/dbraw/zinc/55/07/50/335550750.db2.gz LCADOVXWBHSCPB-WDEREUQCSA-N 2 0 268.361 -0.996 20 0 CBADRP [NH3+][C@H](CC(=O)NCCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000578425594 335632730 /nfs/dbraw/zinc/63/27/30/335632730.db2.gz OXDHPSVJPBKEET-HNNXBMFYSA-N 2 0 290.411 -0.032 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000578887219 335686103 /nfs/dbraw/zinc/68/61/03/335686103.db2.gz OHRCSVNTSLCVPR-STQMWFEESA-N 2 0 287.404 -0.441 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H](CC[NH3+])C(F)F)CC[NH2+]C1 ZINC000578890095 335686319 /nfs/dbraw/zinc/68/63/19/335686319.db2.gz GBUPHPVIQRXCGW-GZMMTYOYSA-N 2 0 265.304 -0.289 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000579234183 335721445 /nfs/dbraw/zinc/72/14/45/335721445.db2.gz PXVLLHAPIQDBCG-NWDGAFQWSA-N 2 0 254.378 -0.380 20 0 CBADRP C[C@H]1C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC(=O)N1 ZINC000580740425 335961515 /nfs/dbraw/zinc/96/15/15/335961515.db2.gz NSUNMYUZTNGIMY-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000193700279 335984041 /nfs/dbraw/zinc/98/40/41/335984041.db2.gz SRGDLJUCVZDVFY-STQMWFEESA-N 2 0 296.415 -0.025 20 0 CBADRP COC[C@]1(C(=O)NCCC[NH+]2CCC(O)CC2)CC[NH2+]C1 ZINC000581129906 336012438 /nfs/dbraw/zinc/01/24/38/336012438.db2.gz KDRNRAOOAJXWMJ-HNNXBMFYSA-N 2 0 299.415 -0.425 20 0 CBADRP C[C@]([NH3+])(C(=O)NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000195231578 336049958 /nfs/dbraw/zinc/04/99/58/336049958.db2.gz OKPMOBXPIGLRJC-OAHLLOKOSA-N 2 0 276.384 -0.118 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000581372432 336063825 /nfs/dbraw/zinc/06/38/25/336063825.db2.gz HWEJHKHPTGSZAV-NEPJUHHUSA-N 2 0 256.394 -0.134 20 0 CBADRP COC[C@@]1(C(=O)NC[C@]2(COC)CCC[NH2+]2)CC[NH2+]C1 ZINC000581364755 336061735 /nfs/dbraw/zinc/06/17/35/336061735.db2.gz HLMAWZIONURKEJ-KGLIPLIRSA-N 2 0 285.388 -0.503 20 0 CBADRP [NH3+]C[C@H](NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1)C1CC1 ZINC000581419705 336074142 /nfs/dbraw/zinc/07/41/42/336074142.db2.gz LZUUGZQVCGVIEB-OLZOCXBDSA-N 2 0 294.399 -0.463 20 0 CBADRP CN(C)C(=O)CCN1CCN(C(=O)Cn2ccnc2)CC1 ZINC000581641153 336115893 /nfs/dbraw/zinc/11/58/93/336115893.db2.gz JRILDPIGRAGNGN-UHFFFAOYSA-N 2 0 293.371 -0.494 20 0 CBADRP CCN(CC)C(=O)CCC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000581725081 336137955 /nfs/dbraw/zinc/13/79/55/336137955.db2.gz RIMGWYXRFJXGAP-LBPRGKRZSA-N 2 0 284.404 -0.264 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC[N@H+]1CC=CCC1 ZINC000581942252 336173510 /nfs/dbraw/zinc/17/35/10/336173510.db2.gz GRFGGAGIPXBJSD-GFCCVEGCSA-N 2 0 280.372 -0.767 20 0 CBADRP C[C@H]1C[NH+](CCCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000377307343 533940335 /nfs/dbraw/zinc/94/03/35/533940335.db2.gz SRVPZLWWEVTWGY-WUHRBBMRSA-N 2 0 285.388 -0.675 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000262375874 520843798 /nfs/dbraw/zinc/84/37/98/520843798.db2.gz MHWYWMVMIVQPGA-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(C[NH2+]CC1CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377572743 534589198 /nfs/dbraw/zinc/58/91/98/534589198.db2.gz SVNPMAVQGCFJCH-CYBMUJFWSA-N 2 0 266.389 -0.508 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])CCSC ZINC000061380440 523596245 /nfs/dbraw/zinc/59/62/45/523596245.db2.gz LEMYQRMSDNPJAV-JTQLQIEISA-N 2 0 263.407 -0.239 20 0 CBADRP COCC[NH2+]CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000220662371 523934969 /nfs/dbraw/zinc/93/49/69/523934969.db2.gz FSNXJKOCTDVEIB-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@@]1(F)CC[NH2+]C1 ZINC000158861749 527667769 /nfs/dbraw/zinc/66/77/69/527667769.db2.gz JZQRCCJJOLEHKM-GFCCVEGCSA-N 2 0 258.341 -0.901 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@]1(F)CC[NH2+]C1 ZINC000158861619 527668088 /nfs/dbraw/zinc/66/80/88/527668088.db2.gz JZQRCCJJOLEHKM-LBPRGKRZSA-N 2 0 258.341 -0.901 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)/C=C/C[NH+](C)C)CC1 ZINC000491861334 529145172 /nfs/dbraw/zinc/14/51/72/529145172.db2.gz ACXYIKFNQCFLPI-AATRIKPKSA-N 2 0 268.405 -0.142 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)/C=C\C[NH+](C)C)CC1 ZINC000491861336 529145378 /nfs/dbraw/zinc/14/53/78/529145378.db2.gz ACXYIKFNQCFLPI-WAYWQWQTSA-N 2 0 268.405 -0.142 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH2+]C(C)(C)C2)CC1=O ZINC000357338035 535880848 /nfs/dbraw/zinc/88/08/48/535880848.db2.gz VJYKBIWTPCMZQD-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000515619020 536428645 /nfs/dbraw/zinc/42/86/45/536428645.db2.gz FHORZGOSUVJNMO-RDBSUJKOSA-N 2 0 295.431 -0.184 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000191867961 536740776 /nfs/dbraw/zinc/74/07/76/536740776.db2.gz OLSUOEGLTFPHJS-SDDRHHMPSA-N 2 0 255.362 -0.131 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000217587709 582128046 /nfs/dbraw/zinc/12/80/46/582128046.db2.gz CFVZETPYOWQZAN-SDDRHHMPSA-N 2 0 255.362 -0.179 20 0 CBADRP NS(=O)(=O)CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000735883953 582191380 /nfs/dbraw/zinc/19/13/80/582191380.db2.gz QPUVDWSQRHJOCD-UHFFFAOYSA-N 2 0 291.417 -0.681 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCCN(CC(N)=O)CC1 ZINC000746219421 582283910 /nfs/dbraw/zinc/28/39/10/582283910.db2.gz RCBXWZDWHDHVMA-CHWSQXEVSA-N 2 0 296.415 -0.121 20 0 CBADRP NC(=O)C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000754498525 582299513 /nfs/dbraw/zinc/29/95/13/582299513.db2.gz LQGPGWUIOUGNBG-KGLIPLIRSA-N 2 0 299.415 -0.297 20 0 CBADRP CC[N@H+](CCO)CCNC(=S)NCCC[NH+](C)C ZINC000768787992 582334648 /nfs/dbraw/zinc/33/46/48/582334648.db2.gz IUWAPVHSRVRNEU-UHFFFAOYSA-N 2 0 276.450 -0.284 20 0 CBADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)CC[N@@H+]1CCO ZINC000778350772 582358675 /nfs/dbraw/zinc/35/86/75/582358675.db2.gz ITYGIBQIYFUTRX-ZIAGYGMSSA-N 2 0 271.405 -0.559 20 0 CBADRP C[C@H]1CN(C[C@H](O)C[NH+]2CCCC2)CC[N@@H+]1CCO ZINC000778350771 582358690 /nfs/dbraw/zinc/35/86/90/582358690.db2.gz ITYGIBQIYFUTRX-UONOGXRCSA-N 2 0 271.405 -0.559 20 0 CBADRP C[C@H](CCO)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000779343779 582360964 /nfs/dbraw/zinc/36/09/64/582360964.db2.gz BPSGNNLOVNDLNJ-NEPJUHHUSA-N 2 0 257.378 -0.066 20 0 CBADRP O=C1C[C@]2(CC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)CN1 ZINC000789355436 582388219 /nfs/dbraw/zinc/38/82/19/582388219.db2.gz RQNYQFXZWXMSPQ-TZMCWYRMSA-N 2 0 267.373 -0.345 20 0 CBADRP C[C@]1(C(N)=O)CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000796581447 582412080 /nfs/dbraw/zinc/41/20/80/582412080.db2.gz QGSCYFFHHIPUPY-AAEUAGOBSA-N 2 0 255.362 -0.360 20 0 CBADRP CNC(=O)[C@@]1(C)CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000797525455 582413664 /nfs/dbraw/zinc/41/36/64/582413664.db2.gz MXWHMTAICZMQMM-OCCSQVGLSA-N 2 0 269.389 -0.099 20 0 CBADRP CNC(=O)[C@]1(C)CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000797525453 582413680 /nfs/dbraw/zinc/41/36/80/582413680.db2.gz MXWHMTAICZMQMM-GXTWGEPZSA-N 2 0 269.389 -0.099 20 0 CBADRP NC(=O)C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000808775177 582444493 /nfs/dbraw/zinc/44/44/93/582444493.db2.gz PUUYEZCTRKBESY-RYUDHWBXSA-N 2 0 255.362 -0.360 20 0 CBADRP COC[C@@]1(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC[NH2+]C1 ZINC000818612801 582512991 /nfs/dbraw/zinc/51/29/91/582512991.db2.gz YJGGMHQYCREHEO-ZIAGYGMSSA-N 2 0 267.373 -0.033 20 0 CBADRP CCc1cc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)[nH]n1 ZINC000819054218 582525520 /nfs/dbraw/zinc/52/55/20/582525520.db2.gz ORFIMUTVMRMCSV-AWEZNQCLSA-N 2 0 281.404 -0.330 20 0 CBADRP C[NH+]1CCC(N2CC[C@H]([NH2+]CCS(C)(=O)=O)C2)CC1 ZINC000819054230 582525582 /nfs/dbraw/zinc/52/55/82/582525582.db2.gz OVMVBECNBKFJTN-LBPRGKRZSA-N 2 0 289.445 -0.211 20 0 CBADRP CO[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C(F)(F)F ZINC000819070390 582526056 /nfs/dbraw/zinc/52/60/56/582526056.db2.gz VEBNABYRYUTNTR-QWRGUYRKSA-N 2 0 299.337 -0.238 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CCC=CO2)CC1 ZINC000819246490 582530050 /nfs/dbraw/zinc/53/00/50/582530050.db2.gz MDNLDRWZJPXIBU-UONOGXRCSA-N 2 0 269.389 -0.123 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000819246488 582530072 /nfs/dbraw/zinc/53/00/72/582530072.db2.gz MDNLDRWZJPXIBU-KGLIPLIRSA-N 2 0 269.389 -0.123 20 0 CBADRP C[NH+](C)C[C@]1(O)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000822483749 582636647 /nfs/dbraw/zinc/63/66/47/582636647.db2.gz RRHAHGFGUAEYCT-CQSZACIVSA-N 2 0 269.389 -0.003 20 0 CBADRP C[C@H](C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)[NH+](C)C ZINC000825131927 582725732 /nfs/dbraw/zinc/72/57/32/582725732.db2.gz MYIRUIMLWMEDQE-MNOVXSKESA-N 2 0 257.378 -0.102 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)CC[C@H]21 ZINC000827290392 582809523 /nfs/dbraw/zinc/80/95/23/582809523.db2.gz TWYIXBDNJNLTBR-KFWWJZLASA-N 2 0 292.427 -0.071 20 0 CBADRP O=C(NCCNc1cc[nH+]cc1)[C@@]1(F)CC[NH2+]C1 ZINC000827434624 582816521 /nfs/dbraw/zinc/81/65/21/582816521.db2.gz YWRFUOLMWAMIDQ-GFCCVEGCSA-N 2 0 252.293 -0.267 20 0 CBADRP O=C(NCCNc1cc[nH+]cc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000827433564 582816606 /nfs/dbraw/zinc/81/66/06/582816606.db2.gz GOHJEVLYKBQTQA-UHFFFAOYSA-N 2 0 286.339 -0.286 20 0 CBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@]3(F)CC[NH2+]C3)C2)CC1 ZINC000829484673 582888077 /nfs/dbraw/zinc/88/80/77/582888077.db2.gz WLBLZKKAZCCXTA-DOMZBBRYSA-N 2 0 298.406 -0.027 20 0 CBADRP C[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@H+]1C ZINC000830134283 582921571 /nfs/dbraw/zinc/92/15/71/582921571.db2.gz COZKIEBPSBKVIY-FNFFVJSTSA-N 2 0 294.399 -0.737 20 0 CBADRP O=C(N1CC[C@@H](C[NH+]2CCOCC2)C1)[C@]1(F)CC[NH2+]C1 ZINC000830545550 582934162 /nfs/dbraw/zinc/93/41/62/582934162.db2.gz IOGBRHQGYZTNEV-JSGCOSHPSA-N 2 0 285.363 -0.131 20 0 CBADRP [NH3+][C@H](CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)C1CC1 ZINC000831644569 582991940 /nfs/dbraw/zinc/99/19/40/582991940.db2.gz YWBHKXZAQDVETJ-QWHCGFSZSA-N 2 0 266.389 -0.380 20 0 CBADRP O=C(N1CC[C@H](N2CC[NH2+]CC2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000831644204 582991969 /nfs/dbraw/zinc/99/19/69/582991969.db2.gz QQOUOPNQUYWFGJ-WCQYABFASA-N 2 0 270.352 -0.806 20 0 CBADRP C[C@H]1CCC[N@@H+]1CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000831971512 583009271 /nfs/dbraw/zinc/00/92/71/583009271.db2.gz ZRMNJJDTCVFGQO-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000831971413 583009492 /nfs/dbraw/zinc/00/94/92/583009492.db2.gz XGJZNRSARQGUSJ-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP [NH3+][C@H](CC(=O)NCCCN1CC[NH2+]CC1)C1CC1 ZINC000832212903 583018547 /nfs/dbraw/zinc/01/85/47/583018547.db2.gz OKKAKMABBKSSBZ-GFCCVEGCSA-N 2 0 254.378 -0.475 20 0 CBADRP [NH3+]Cc1cccc(C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000832393518 583023737 /nfs/dbraw/zinc/02/37/37/583023737.db2.gz SPQZDJIUFXSYHM-UHFFFAOYSA-N 2 0 262.357 -0.220 20 0 CBADRP O=C(NC[C@H]1CCCC[NH2+]1)c1[nH]nc2c1C[NH2+]CC2 ZINC000832458363 583026323 /nfs/dbraw/zinc/02/63/23/583026323.db2.gz DUGJLRJWKQOXDK-SECBINFHSA-N 2 0 263.345 -0.073 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000834673637 583135071 /nfs/dbraw/zinc/13/50/71/583135071.db2.gz SVJMRQIWGAHRQA-CHWSQXEVSA-N 2 0 296.415 -0.040 20 0 CBADRP CC1(C)CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC[NH2+]1 ZINC000834868038 583138180 /nfs/dbraw/zinc/13/81/80/583138180.db2.gz OZKBYAWTSYSGNQ-UHFFFAOYSA-N 2 0 263.345 -0.121 20 0 CBADRP C[C@@H](CNC(=O)N(CC[NH3+])CCO)[NH+]1CCCCC1 ZINC000841726509 583173428 /nfs/dbraw/zinc/17/34/28/583173428.db2.gz RRNISDJWHHUSLM-LBPRGKRZSA-N 2 0 272.393 -0.177 20 0 CBADRP C[C@@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000841849253 583174970 /nfs/dbraw/zinc/17/49/70/583174970.db2.gz FHPYYBBJFNOJRZ-UTUOFQBUSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000842014264 583177671 /nfs/dbraw/zinc/17/76/71/583177671.db2.gz BDROXBYRMMWZBT-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000842014847 583177772 /nfs/dbraw/zinc/17/77/72/583177772.db2.gz FOCLVVCMZYALAV-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000842014292 583177867 /nfs/dbraw/zinc/17/78/67/583177867.db2.gz BTARHBCISALHNN-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)[NH+]1CCCCC1 ZINC000842016425 583178069 /nfs/dbraw/zinc/17/80/69/583178069.db2.gz VINWRPCNPYLOHN-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000842016009 583178139 /nfs/dbraw/zinc/17/81/39/583178139.db2.gz QJPBRJLJKXQPBY-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])[NH+]1CCCCC1 ZINC000842016899 583178144 /nfs/dbraw/zinc/17/81/44/583178144.db2.gz ZBDUIUAVNKYOPZ-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842513537 583184921 /nfs/dbraw/zinc/18/49/21/583184921.db2.gz SRMWPVZJEQIEFL-JOYOIKCWSA-N 2 0 255.318 -0.769 20 0 CBADRP CC(C)CCN1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000843055133 583198798 /nfs/dbraw/zinc/19/87/98/583198798.db2.gz SPIBHGKJFKSSRP-UHFFFAOYSA-N 2 0 275.418 -0.048 20 0 CBADRP C[C@]1(C[NH+]2CCC(C(=O)NCCO)CC2)CC[NH2+]C1 ZINC000843060677 583199205 /nfs/dbraw/zinc/19/92/05/583199205.db2.gz LDRWKRSHWAZQJB-AWEZNQCLSA-N 2 0 269.389 -0.194 20 0 CBADRP CN(C(=O)CO[C@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000843310548 583207917 /nfs/dbraw/zinc/20/79/17/583207917.db2.gz NIPOPONTOHHZMH-LBPRGKRZSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]C[C@H]1CCCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000843320871 583208622 /nfs/dbraw/zinc/20/86/22/583208622.db2.gz UQAUZWBUCDEXHU-VXGBXAGGSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[NH2+]CCO1 ZINC000843451344 583220655 /nfs/dbraw/zinc/22/06/55/583220655.db2.gz UFDRUVWHJNRKKD-FGNRJIRKSA-N 2 0 253.346 -0.154 20 0 CBADRP C[NH2+]CC(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000843471837 583224502 /nfs/dbraw/zinc/22/45/02/583224502.db2.gz NTVGCSWBHTZZJW-UHFFFAOYSA-N 2 0 250.302 -0.467 20 0 CBADRP C[NH2+]CCC(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000843474670 583224850 /nfs/dbraw/zinc/22/48/50/583224850.db2.gz UKWBHSRFKNZLCZ-UHFFFAOYSA-N 2 0 264.329 -0.077 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000843473517 583224904 /nfs/dbraw/zinc/22/49/04/583224904.db2.gz GZTAAJIKCKYPLK-JTQLQIEISA-N 2 0 294.355 -0.323 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843473637 583225008 /nfs/dbraw/zinc/22/50/08/583225008.db2.gz JBPJCZKGKMEJJV-AAEUAGOBSA-N 2 0 253.346 -0.423 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H](C)[NH2+]C1CC1 ZINC000843480428 583226553 /nfs/dbraw/zinc/22/65/53/583226553.db2.gz WVWWYQXAZNXSKD-MWLCHTKSSA-N 2 0 269.345 -0.510 20 0 CBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000843482888 583226764 /nfs/dbraw/zinc/22/67/64/583226764.db2.gz AHNZJSQMBPHRQE-JTQLQIEISA-N 2 0 263.345 -0.074 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000843482086 583226871 /nfs/dbraw/zinc/22/68/71/583226871.db2.gz CUWBUKRWHHNJME-XQQFMLRXSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH+](C)CCOCCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843494440 583229163 /nfs/dbraw/zinc/22/91/63/583229163.db2.gz DPDPOJCJQAQBAN-LBPRGKRZSA-N 2 0 273.377 -0.551 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000843500869 583231226 /nfs/dbraw/zinc/23/12/26/583231226.db2.gz BOWMVJTVSBUZSK-GXTWGEPZSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000843504882 583231994 /nfs/dbraw/zinc/23/19/94/583231994.db2.gz CXVYXOXOAGBSLJ-JGVFFNPUSA-N 2 0 251.334 -0.089 20 0 CBADRP [NH3+]CCCCCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000843512773 583232316 /nfs/dbraw/zinc/23/23/16/583232316.db2.gz PVGJTTMEQDTBCJ-NSHDSACASA-N 2 0 270.377 -0.510 20 0 CBADRP O=C(NCCC[NH2+]C1CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000843513282 583232468 /nfs/dbraw/zinc/23/24/68/583232468.db2.gz AGSYSUKUZLRDKA-UHFFFAOYSA-N 2 0 263.345 -0.073 20 0 CBADRP COCC[NH2+]CC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000844171209 583256162 /nfs/dbraw/zinc/25/61/62/583256162.db2.gz NELJLTSERPLCBG-CQSZACIVSA-N 2 0 299.415 -0.018 20 0 CBADRP CC[NH2+]CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000844184991 583259337 /nfs/dbraw/zinc/25/93/37/583259337.db2.gz BMZOLKDNCNIVJJ-UHFFFAOYSA-N 2 0 255.362 -0.081 20 0 CBADRP CC[NH2+]CC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000844191204 583259871 /nfs/dbraw/zinc/25/98/71/583259871.db2.gz TUBRZTNFEPDGIT-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844191309 583259905 /nfs/dbraw/zinc/25/99/05/583259905.db2.gz LHEVAITWJVOEOB-CQSZACIVSA-N 2 0 298.431 -0.491 20 0 CBADRP C[NH+]1CCN(CCNC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844190871 583259949 /nfs/dbraw/zinc/25/99/49/583259949.db2.gz DAIOGHSBQLTOHD-CYBMUJFWSA-N 2 0 284.404 -0.881 20 0 CBADRP C[C@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000844190157 583260011 /nfs/dbraw/zinc/26/00/11/583260011.db2.gz CORSZMOXZANJIV-ZIAGYGMSSA-N 2 0 298.431 -0.493 20 0 CBADRP C[NH+](C)CCN1CCN(CC[NH+]2CCCC2)CC1=O ZINC000844380981 583269469 /nfs/dbraw/zinc/26/94/69/583269469.db2.gz ZJMJZQHCVVUPEQ-UHFFFAOYSA-N 2 0 268.405 -0.212 20 0 CBADRP COC[C@@H]1C[C@@H](O)CN1C[C@@H](O)C[NH+]1CCCC1 ZINC000844393133 583269524 /nfs/dbraw/zinc/26/95/24/583269524.db2.gz HYKHQPVSUVACDU-XQQFMLRXSA-N 2 0 258.362 -0.475 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846674474 583382198 /nfs/dbraw/zinc/38/21/98/583382198.db2.gz YZBMLYSFEJYXCR-ABHRYQDASA-N 2 0 295.383 -0.798 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H](C)[NH2+]C2CC2)C[C@H]1C[NH3+] ZINC000846694981 583383856 /nfs/dbraw/zinc/38/38/56/583383856.db2.gz GTNWWMYKCJXWJI-CKYFFXLPSA-N 2 0 255.362 -0.051 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000846695223 583384430 /nfs/dbraw/zinc/38/44/30/583384430.db2.gz URGASNRGTVKZIE-CKYFFXLPSA-N 2 0 259.325 -0.490 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CCOCC1 ZINC000848980717 583463625 /nfs/dbraw/zinc/46/36/25/583463625.db2.gz LAWPRVCYLVPJQS-ZDUSSCGKSA-N 2 0 283.420 -0.083 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nncn1C ZINC000848992213 583465072 /nfs/dbraw/zinc/46/50/72/583465072.db2.gz XNPPVZNVFYBHDM-SNVBAGLBSA-N 2 0 265.365 -0.087 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=[NH2+])NC2CC2)C1 ZINC000848999188 583465302 /nfs/dbraw/zinc/46/53/02/583465302.db2.gz ATTVPCMWNXZCOI-SNVBAGLBSA-N 2 0 267.377 -0.150 20 0 CBADRP C[C@H](CNC1=[NH+]CCN1C)C[NH+]1CCN(C)CC1 ZINC000848994288 583465482 /nfs/dbraw/zinc/46/54/82/583465482.db2.gz BEASQCMAMDFVQK-GFCCVEGCSA-N 2 0 253.394 -0.239 20 0 CBADRP C[C@@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000849000113 583465851 /nfs/dbraw/zinc/46/58/51/583465851.db2.gz OUNMJYNIACTPCI-STQMWFEESA-N 2 0 283.420 -0.133 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CCNC(=O)C1 ZINC000849017219 583468088 /nfs/dbraw/zinc/46/80/88/583468088.db2.gz MUOYFHGFCCFKEZ-GFCCVEGCSA-N 2 0 296.419 -0.984 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOCCO ZINC000849016498 583468170 /nfs/dbraw/zinc/46/81/70/583468170.db2.gz KPMOGNPKEKSUQE-LBPRGKRZSA-N 2 0 272.393 -0.016 20 0 CBADRP COCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCCO ZINC000849033966 583469899 /nfs/dbraw/zinc/46/98/99/583469899.db2.gz GPXPKJTZBMEWPG-NSHDSACASA-N 2 0 258.366 -0.406 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)Cn1ccnn1 ZINC000849041096 583471209 /nfs/dbraw/zinc/47/12/09/583471209.db2.gz KCOHRHVVZKFSDW-NWDGAFQWSA-N 2 0 295.391 -0.763 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)N(C)OC ZINC000849043826 583471575 /nfs/dbraw/zinc/47/15/75/583471575.db2.gz ILXZQLCIMUKXFP-JTQLQIEISA-N 2 0 271.365 -0.396 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H](C(N)=O)C1 ZINC000849047607 583471870 /nfs/dbraw/zinc/47/18/70/583471870.db2.gz PGPAJOWDZWIBSQ-OUAUKWLOSA-N 2 0 267.377 -0.151 20 0 CBADRP C[C@@H](CNC1=[NH+]CCCCN1)N1CC[NH+](C)CC1 ZINC000849216069 583473899 /nfs/dbraw/zinc/47/38/99/583473899.db2.gz SMRSUXYNVADOLE-LBPRGKRZSA-N 2 0 253.394 -0.049 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC2=[NH+]CCCCN2)C1 ZINC000849216094 583473948 /nfs/dbraw/zinc/47/39/48/583473948.db2.gz UHCRDNOVRDHAGR-GFCCVEGCSA-N 2 0 281.404 -0.097 20 0 CBADRP CC[NH2+]CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000851643941 583517730 /nfs/dbraw/zinc/51/77/30/583517730.db2.gz GYNJNLJIPJMHTA-UHFFFAOYSA-N 2 0 258.366 -0.926 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[NH2+]C)C1 ZINC000851691617 583522427 /nfs/dbraw/zinc/52/24/27/583522427.db2.gz PMJLFNMTKOGUCM-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP C[C@H](NC(=O)C1=NO[C@H](C[NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000852794878 583552947 /nfs/dbraw/zinc/55/29/47/583552947.db2.gz SVGOFAICTXTCOB-GUBZILKMSA-N 2 0 254.334 -0.406 20 0 CBADRP C[C@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000852794879 583553034 /nfs/dbraw/zinc/55/30/34/583553034.db2.gz SVGOFAICTXTCOB-IVZWLZJFSA-N 2 0 254.334 -0.406 20 0 CBADRP [NH3+]CCCOC1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852798688 583553250 /nfs/dbraw/zinc/55/32/50/583553250.db2.gz NPELNNNRKPJQBQ-LLVKDONJSA-N 2 0 284.360 -0.554 20 0 CBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852799796 583553263 /nfs/dbraw/zinc/55/32/63/583553263.db2.gz XDCLXXSIFQRIGK-UWVGGRQHSA-N 2 0 256.350 -0.078 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C=C2CC[NH2+]CC2)CCO1 ZINC000852799075 583553287 /nfs/dbraw/zinc/55/32/87/583553287.db2.gz CUPKHAQTVSNGGQ-PWSUYJOCSA-N 2 0 253.346 -0.129 20 0 CBADRP C[C@@H]1CCCN(C(=O)C2=NO[C@@H](C[NH3+])C2)[C@@H]1C[NH3+] ZINC000852798182 583553376 /nfs/dbraw/zinc/55/33/76/583553376.db2.gz HIJOMHOUSOWYEQ-FXPVBKGRSA-N 2 0 254.334 -0.324 20 0 CBADRP CC(C)C[C@](C)(C[NH3+])NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852800365 583553514 /nfs/dbraw/zinc/55/35/14/583553514.db2.gz XLEWJVHVWZYTOB-JOYOIKCWSA-N 2 0 256.350 -0.030 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@H]1[NH2+]CC12CCCC2 ZINC000852824966 583556466 /nfs/dbraw/zinc/55/64/66/583556466.db2.gz DRJWWMFSFXHZQK-GFCCVEGCSA-N 2 0 266.389 -0.460 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1[NH2+]CC12CCCC2 ZINC000852824967 583556582 /nfs/dbraw/zinc/55/65/82/583556582.db2.gz DRJWWMFSFXHZQK-LBPRGKRZSA-N 2 0 266.389 -0.460 20 0 CBADRP CC[NH2+]CCCNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC000852825687 583556877 /nfs/dbraw/zinc/55/68/77/583556877.db2.gz NQQCZRLBSZORDH-NSHDSACASA-N 2 0 255.362 -0.129 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000852855586 583561488 /nfs/dbraw/zinc/56/14/88/583561488.db2.gz GDBNLZHISMAWLC-GFCCVEGCSA-N 2 0 284.404 -0.408 20 0 CBADRP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C1(O)C[NH2+]C1 ZINC000852857710 583561919 /nfs/dbraw/zinc/56/19/19/583561919.db2.gz CPVZSHWUKQUZOC-GFCCVEGCSA-N 2 0 283.372 -0.920 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852864357 583563598 /nfs/dbraw/zinc/56/35/98/583563598.db2.gz TUURUPWSKKCJKK-GRYCIOLGSA-N 2 0 253.346 -0.297 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852865231 583564048 /nfs/dbraw/zinc/56/40/48/583564048.db2.gz WMMAPXVASQOQBC-GFCCVEGCSA-N 2 0 298.387 -0.293 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)=NO1 ZINC000852865404 583564142 /nfs/dbraw/zinc/56/41/42/583564142.db2.gz BPXQQEQGZRULBK-CYZMBNFOSA-N 2 0 296.371 -0.852 20 0 CBADRP C[NH+](C)C1(CNC(=O)C2=NO[C@@H](C[NH3+])C2)CCOCC1 ZINC000852867742 583564686 /nfs/dbraw/zinc/56/46/86/583564686.db2.gz AVDNUSFVDVFIMT-SNVBAGLBSA-N 2 0 284.360 -0.683 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852872238 583565171 /nfs/dbraw/zinc/56/51/71/583565171.db2.gz JPNHLMQVCPYKNE-GHMZBOCLSA-N 2 0 286.376 -0.437 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852871065 583565175 /nfs/dbraw/zinc/56/51/75/583565175.db2.gz UTKVJOVKFOMGOK-JTQLQIEISA-N 2 0 272.349 -0.826 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH+](C3CCOCC3)CC2)=NO1 ZINC000852870710 583565206 /nfs/dbraw/zinc/56/52/06/583565206.db2.gz QCZSZOKOHUAROU-LBPRGKRZSA-N 2 0 296.371 -0.587 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852872394 583565525 /nfs/dbraw/zinc/56/55/25/583565525.db2.gz FVBWRNMLGXEZJL-NWDGAFQWSA-N 2 0 297.403 -0.768 20 0 CBADRP CN(C(=O)C1=NO[C@H](C[NH3+])C1)C1CC[NH+](C)CC1 ZINC000852875130 583565833 /nfs/dbraw/zinc/56/58/33/583565833.db2.gz FHRXWTCBXUOGLG-JTQLQIEISA-N 2 0 254.334 -0.357 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CCC3(CC[NH2+]C3)CC2)=NO1 ZINC000852880896 583566770 /nfs/dbraw/zinc/56/67/70/583566770.db2.gz FTYPMKBRVJNINV-SNVBAGLBSA-N 2 0 266.345 -0.308 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)=NO1 ZINC000852881995 583567017 /nfs/dbraw/zinc/56/70/17/583567017.db2.gz VBJBOAHPOUAYIP-KXUCPTDWSA-N 2 0 252.318 -0.700 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)=NO1 ZINC000852882033 583567053 /nfs/dbraw/zinc/56/70/53/583567053.db2.gz WJVNMICUFXAHNC-OUAUKWLOSA-N 2 0 266.345 -0.452 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)=NO1 ZINC000852882676 583567418 /nfs/dbraw/zinc/56/74/18/583567418.db2.gz NYMNWVPGSQZSBA-IQJOONFLSA-N 2 0 252.318 -0.700 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)NCCC[C@H]2CCC[NH2+]2)=NO1 ZINC000852882615 583567464 /nfs/dbraw/zinc/56/74/64/583567464.db2.gz MXCXRZGFNZRVPF-NXEZZACHSA-N 2 0 254.334 -0.262 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852884552 583567965 /nfs/dbraw/zinc/56/79/65/583567965.db2.gz HRVWOFKGEPKQAJ-GFCCVEGCSA-N 2 0 297.403 -0.814 20 0 CBADRP C[C@@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)C[C@@]1(C)C[NH3+] ZINC000852889515 583569612 /nfs/dbraw/zinc/56/96/12/583569612.db2.gz FBTQUCHFKWYCIG-VDDIYKPWSA-N 2 0 254.334 -0.467 20 0 CBADRP C[C@@H]1C[C@H](C)N(C(=O)C2=NO[C@H](C[NH3+])C2)C[C@H]1C[NH3+] ZINC000852892581 583570239 /nfs/dbraw/zinc/57/02/39/583570239.db2.gz IDCPNABABOAERO-YTWAJWBKSA-N 2 0 268.361 -0.078 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CC3CCC2(C[NH3+])CC3)=NO1 ZINC000852893439 583570723 /nfs/dbraw/zinc/57/07/23/583570723.db2.gz GWXXSZDJJFPBAC-RUETXSTFSA-N 2 0 266.345 -0.180 20 0 CBADRP [NH3+]Cc1ccc(CNC(=O)C2=NO[C@@H](C[NH3+])C2)cc1 ZINC000852894616 583570975 /nfs/dbraw/zinc/57/09/75/583570975.db2.gz LWDQOYOBXJIIDV-LLVKDONJSA-N 2 0 262.313 -0.135 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)=NO1 ZINC000852896001 583571237 /nfs/dbraw/zinc/57/12/37/583571237.db2.gz PLXXLJORNPYKTP-KWBADKCTSA-N 2 0 266.345 -0.323 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NCCC2CC[NH2+]CC2)=NO1 ZINC000852897828 583571764 /nfs/dbraw/zinc/57/17/64/583571764.db2.gz SRYHNSWNZWGEKS-JTQLQIEISA-N 2 0 254.334 -0.404 20 0 CBADRP O=C(C=C1CC[NH2+]CC1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000852914070 583574033 /nfs/dbraw/zinc/57/40/33/583574033.db2.gz MABBAXQHQGCMIF-AWEZNQCLSA-N 2 0 278.400 -0.198 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CCO1 ZINC000852924829 583575217 /nfs/dbraw/zinc/57/52/17/583575217.db2.gz UZSMXECLAWSIQD-VXGBXAGGSA-N 2 0 298.387 -0.341 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000857108944 583665154 /nfs/dbraw/zinc/66/51/54/583665154.db2.gz SQJMOYUFVDCDOH-TUAOUCFPSA-N 2 0 272.393 -0.180 20 0 CBADRP C[NH+](C)C[C@@H]1CCCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000858377725 583693342 /nfs/dbraw/zinc/69/33/42/583693342.db2.gz BSDPKHNJXRTWSS-QMMMGPOBSA-N 2 0 251.338 -0.186 20 0 CBADRP O=C1OC[C@@H]2C[N@H+](CCC[NH+]3C[C@@H]4COC(=O)[C@@H]4C3)C[C@H]12 ZINC000860164517 583740101 /nfs/dbraw/zinc/74/01/01/583740101.db2.gz INVPMNCLGIZESV-MPZDIEGVSA-N 2 0 294.351 -0.414 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000861573126 583771314 /nfs/dbraw/zinc/77/13/14/583771314.db2.gz BENFFTURIZGBHI-QJPTWQEYSA-N 2 0 270.377 -0.162 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000861573127 583771347 /nfs/dbraw/zinc/77/13/47/583771347.db2.gz BENFFTURIZGBHI-SDDRHHMPSA-N 2 0 270.377 -0.162 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@@H]1CC[NH2+]C1 ZINC000861573249 583771404 /nfs/dbraw/zinc/77/14/04/583771404.db2.gz CRAMTENYEWFRCZ-WOPDTQHZSA-N 2 0 268.361 -0.489 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@@H]1CC[NH2+]C1 ZINC000861573172 583771427 /nfs/dbraw/zinc/77/14/27/583771427.db2.gz CRAMTENYEWFRCZ-GRYCIOLGSA-N 2 0 268.361 -0.489 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000861645791 583775218 /nfs/dbraw/zinc/77/52/18/583775218.db2.gz JJIJWBOXTVBILP-JTQLQIEISA-N 2 0 294.346 -0.139 20 0 CBADRP CCN(CC[NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000861646010 583775221 /nfs/dbraw/zinc/77/52/21/583775221.db2.gz NMEVIPILCFLNPV-QMMMGPOBSA-N 2 0 250.293 -0.026 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000861744899 583783290 /nfs/dbraw/zinc/78/32/90/583783290.db2.gz PZLSVFSLVVYHTK-TUAOUCFPSA-N 2 0 284.404 -0.219 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000861744687 583783321 /nfs/dbraw/zinc/78/33/21/583783321.db2.gz NJVCOVJCXBQEFY-IJLUTSLNSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000861756645 583784508 /nfs/dbraw/zinc/78/45/08/583784508.db2.gz FMEQHWTYRSFWHZ-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861759646 583784754 /nfs/dbraw/zinc/78/47/54/583784754.db2.gz OANNGAMKWNBDAI-GHMZBOCLSA-N 2 0 272.393 -0.362 20 0 CBADRP C[C@@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])C1=CC[N@H+](C)CC1 ZINC000861763375 583785054 /nfs/dbraw/zinc/78/50/54/583785054.db2.gz WGVFGVGOLIHSHQ-WDEREUQCSA-N 2 0 282.388 -0.441 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000861765247 583785303 /nfs/dbraw/zinc/78/53/03/583785303.db2.gz OZMRPULKKVNDMA-PWSUYJOCSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000861765246 583785363 /nfs/dbraw/zinc/78/53/63/583785363.db2.gz OZMRPULKKVNDMA-JQWIXIFHSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000861774322 583785652 /nfs/dbraw/zinc/78/56/52/583785652.db2.gz WVADDBMUCBYNSA-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])C[NH+]1CCCC1 ZINC000861774320 583785705 /nfs/dbraw/zinc/78/57/05/583785705.db2.gz WVADDBMUCBYNSA-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861779780 583786074 /nfs/dbraw/zinc/78/60/74/583786074.db2.gz CVHZGTKIZMSQSW-GFCCVEGCSA-N 2 0 286.420 -0.114 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)C(C)C ZINC000861813115 583788339 /nfs/dbraw/zinc/78/83/39/583788339.db2.gz MBPOXDHNCLHCAE-NWDGAFQWSA-N 2 0 284.404 -0.301 20 0 CBADRP C[NH+](C)CCCNC(=S)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863253569 583835958 /nfs/dbraw/zinc/83/59/58/583835958.db2.gz SNMURVOKKVPXNK-NSHDSACASA-N 2 0 274.434 -0.531 20 0 CBADRP CC(C)([NH3+])CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863642436 583850066 /nfs/dbraw/zinc/85/00/66/583850066.db2.gz OJYXLGPAQFIJLW-NEPJUHHUSA-N 2 0 282.388 -0.019 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000863757120 583853422 /nfs/dbraw/zinc/85/34/22/583853422.db2.gz CPOLJMGZPVBMLJ-LBPRGKRZSA-N 2 0 284.404 -0.264 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000863762608 583854517 /nfs/dbraw/zinc/85/45/17/583854517.db2.gz XUKWNPRZKAGDOO-GFCCVEGCSA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000863774327 583856201 /nfs/dbraw/zinc/85/62/01/583856201.db2.gz VCMRHERIMJEBJC-VXGBXAGGSA-N 2 0 280.372 -0.735 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000864065361 583868056 /nfs/dbraw/zinc/86/80/56/583868056.db2.gz MADWPNLEOXNWGM-OPDFLTKYSA-N 2 0 269.389 -0.102 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000864065359 583868073 /nfs/dbraw/zinc/86/80/73/583868073.db2.gz MADWPNLEOXNWGM-GFQSEFKGSA-N 2 0 269.389 -0.102 20 0 CBADRP C[NH+](C)CCCNC(=O)C(F)C(=O)NCCC[NH+](C)C ZINC000864415544 583881496 /nfs/dbraw/zinc/88/14/96/583881496.db2.gz AZIIJXRMDSYVCP-UHFFFAOYSA-N 2 0 290.383 -0.540 20 0 CBADRP CN1C(=O)[C@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)C[C@H]2C1=O ZINC000866702171 583927755 /nfs/dbraw/zinc/92/77/55/583927755.db2.gz WLXFVRBMYRRPOS-UTUOFQBUSA-N 2 0 265.357 -0.077 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(CCC(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000866703170 583927860 /nfs/dbraw/zinc/92/78/60/583927860.db2.gz GEXAFMAKZSYIAG-ZIAGYGMSSA-N 2 0 280.416 -0.166 20 0 CBADRP COC[C@H](C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)OC ZINC000866711047 583928051 /nfs/dbraw/zinc/92/80/51/583928051.db2.gz AOAPJIFRUFRUSB-RVMXOQNASA-N 2 0 299.371 -0.485 20 0 CBADRP COC(=O)CCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712767 583928326 /nfs/dbraw/zinc/92/83/26/583928326.db2.gz WOTCVSPTRZWOPM-UTUOFQBUSA-N 2 0 297.355 -0.194 20 0 CBADRP C[NH2+]CCCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714816 583928346 /nfs/dbraw/zinc/92/83/46/583928346.db2.gz YDROQPCAACKPRW-TUAOUCFPSA-N 2 0 268.361 -0.537 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC000866714393 583928432 /nfs/dbraw/zinc/92/84/32/583928432.db2.gz NTHCLWFHBBUMGI-FRRDWIJNSA-N 2 0 291.355 -0.250 20 0 CBADRP [NH3+]CC[C@H]1CCCCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000866765692 583931600 /nfs/dbraw/zinc/93/16/00/583931600.db2.gz YZCIEFQTXSXBMQ-NEPJUHHUSA-N 2 0 291.417 -0.492 20 0 CBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@H]1CCCC[NH2+]C1 ZINC000866767401 583931816 /nfs/dbraw/zinc/93/18/16/583931816.db2.gz AJQGUJSCHIRYEX-WDEREUQCSA-N 2 0 277.390 -0.964 20 0 CBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000866772471 583931880 /nfs/dbraw/zinc/93/18/80/583931880.db2.gz UEZQCSCKJINEHY-NEPJUHHUSA-N 2 0 289.401 -0.868 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)/C=C\CN1CCOCC1 ZINC000866920160 583936693 /nfs/dbraw/zinc/93/66/93/583936693.db2.gz BUVPCEBFZYIZMC-ZRUQZJFASA-N 2 0 285.388 -0.696 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC[NH2+]CC3)CC[C@@H]21 ZINC000868386690 583976677 /nfs/dbraw/zinc/97/66/77/583976677.db2.gz KNAUPMUFLXFSBC-STQMWFEESA-N 2 0 294.399 -0.639 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C[NH3+])C3)CC[C@H]21 ZINC000868388593 583976832 /nfs/dbraw/zinc/97/68/32/583976832.db2.gz XVPRHDTUYGFABK-YNEHKIRRSA-N 2 0 294.399 -0.654 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC[C@H]21 ZINC000868388374 583976877 /nfs/dbraw/zinc/97/68/77/583976877.db2.gz STBBUPSZFJWYFR-JHJVBQTASA-N 2 0 294.399 -0.511 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C[C@H]1[NH3+] ZINC000868390573 583977057 /nfs/dbraw/zinc/97/70/57/583977057.db2.gz MRJISWLZUSOCMM-FDYHWXHSSA-N 2 0 294.399 -0.655 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC[C@@H]21 ZINC000868399077 583977323 /nfs/dbraw/zinc/97/73/23/583977323.db2.gz AYRPGJRQKZNHJU-VOAKCMCISA-N 2 0 292.383 -0.888 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868395139 583977334 /nfs/dbraw/zinc/97/73/34/583977334.db2.gz HBDOOLURMLLEIX-RYUDHWBXSA-N 2 0 282.388 -0.654 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)C[C@H]1[NH3+] ZINC000868407110 583978168 /nfs/dbraw/zinc/97/81/68/583978168.db2.gz SJFMGTKIMYSYRQ-VXGBXAGGSA-N 2 0 296.415 -0.265 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1C[NH+](C)C ZINC000870023931 584007367 /nfs/dbraw/zinc/00/73/67/584007367.db2.gz ONAWWDMLNDLEBE-MGPQQGTHSA-N 2 0 299.415 -0.400 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000870933860 584021811 /nfs/dbraw/zinc/02/18/11/584021811.db2.gz ZDZBMRSDEFARNM-OUCADQQQSA-N 2 0 266.389 -0.475 20 0 CBADRP O=C(CCC12CC(C1)C[NH2+]2)NC[C@@H]1C[NH2+]CCO1 ZINC000870947247 584022740 /nfs/dbraw/zinc/02/27/40/584022740.db2.gz YGFHGJVJPBLVFP-AKJDGMEZSA-N 2 0 253.346 -0.377 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870953986 584022928 /nfs/dbraw/zinc/02/29/28/584022928.db2.gz WPZQRMISDPGIPQ-BETUJISGSA-N 2 0 298.431 -0.018 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870982273 584024026 /nfs/dbraw/zinc/02/40/26/584024026.db2.gz MEFJBTJPWXUSOH-SRVKXCTJSA-N 2 0 255.362 -0.097 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870983865 584024419 /nfs/dbraw/zinc/02/44/19/584024419.db2.gz YWMUKAXCIQTAEZ-DCAQKATOSA-N 2 0 269.345 -0.571 20 0 CBADRP O=C(C[NH2+]C1CC1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871003681 584024910 /nfs/dbraw/zinc/02/49/10/584024910.db2.gz BOAZGFRKUHVCDC-TUAOUCFPSA-N 2 0 294.355 -0.868 20 0 CBADRP O=C(C[NH2+]C1CC1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871003682 584024943 /nfs/dbraw/zinc/02/49/43/584024943.db2.gz BOAZGFRKUHVCDC-UTUOFQBUSA-N 2 0 294.355 -0.868 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCN(C)c2ncccc2C1 ZINC000871021243 584025045 /nfs/dbraw/zinc/02/50/45/584025045.db2.gz PFWJQRZYTGQIPG-NSHDSACASA-N 2 0 292.339 -0.250 20 0 CBADRP COCCN(C)C(=[NH2+])NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000871603956 584043318 /nfs/dbraw/zinc/04/33/18/584043318.db2.gz NYGPRAREGWMONK-NWDGAFQWSA-N 2 0 270.377 -0.048 20 0 CBADRP COCCN(C)C(=[NH2+])NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000871603941 584043360 /nfs/dbraw/zinc/04/33/60/584043360.db2.gz NBWNZHKGPNVXDL-LBPRGKRZSA-N 2 0 299.419 -0.324 20 0 CBADRP COCCN(C)C(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000871603955 584043459 /nfs/dbraw/zinc/04/34/59/584043459.db2.gz NYGPRAREGWMONK-NEPJUHHUSA-N 2 0 270.377 -0.048 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872187541 584048753 /nfs/dbraw/zinc/04/87/53/584048753.db2.gz WLLIQRFSOBRCCF-SWLSCSKDSA-N 2 0 296.415 -0.536 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000872218198 584050766 /nfs/dbraw/zinc/05/07/66/584050766.db2.gz KWYNXQXCOABEKD-UONOGXRCSA-N 2 0 285.432 -0.122 20 0 CBADRP C[C@H](O)[C@H](O)C[NH2+]C[C@@H](O)CN(C)Cc1ccccc1 ZINC000872225379 584051028 /nfs/dbraw/zinc/05/10/28/584051028.db2.gz JGJXZXPJOWIDJH-NWANDNLSSA-N 2 0 282.384 -0.189 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000872257871 584052305 /nfs/dbraw/zinc/05/23/05/584052305.db2.gz ZVWBETRAYPIICX-GGAZOKNXSA-N 2 0 292.383 -0.537 20 0 CBADRP C[C@@]1(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[NH2+]C1 ZINC000872257789 584052371 /nfs/dbraw/zinc/05/23/71/584052371.db2.gz XACNRVNHNVQJMT-GUIRCDHDSA-N 3 0 294.399 -0.147 20 0 CBADRP CC1(C)CC[NH2+]CCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000872298284 584054914 /nfs/dbraw/zinc/05/49/14/584054914.db2.gz GARIXTAWHAFJER-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872302630 584054973 /nfs/dbraw/zinc/05/49/73/584054973.db2.gz GFJAMLVFXDGJBC-YFKTTZPYSA-N 2 0 296.371 -0.622 20 0 CBADRP C[NH+]1CCC(N(CCO)Cc2cnc(N)cn2)CC1 ZINC000873201738 584068509 /nfs/dbraw/zinc/06/85/09/584068509.db2.gz VSIZBALFABKEKA-UHFFFAOYSA-N 2 0 265.361 -0.053 20 0 CBADRP CN1C(=O)[C@H]2C[N@H+](C[C@]3(C)CC[NH2+]C3)C[C@H]2C1=O ZINC000873220795 584068859 /nfs/dbraw/zinc/06/88/59/584068859.db2.gz YOKNTAAPOCVHDF-GBIKHYSHSA-N 2 0 251.330 -0.467 20 0 CBADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000873248557 584069160 /nfs/dbraw/zinc/06/91/60/584069160.db2.gz GJRBQHVUDZYRAJ-DGCLKSJQSA-N 2 0 287.360 -0.449 20 0 CBADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000873248559 584069193 /nfs/dbraw/zinc/06/91/93/584069193.db2.gz GJRBQHVUDZYRAJ-YPMHNXCESA-N 2 0 287.360 -0.449 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000873248328 584069199 /nfs/dbraw/zinc/06/91/99/584069199.db2.gz DBOHAABGBCJIOV-GVXVVHGQSA-N 2 0 269.345 -0.075 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000873250958 584069255 /nfs/dbraw/zinc/06/92/55/584069255.db2.gz UCIXNQSDYHWDOG-SCVCMEIPSA-N 2 0 255.318 -0.323 20 0 CBADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000873264672 584069573 /nfs/dbraw/zinc/06/95/73/584069573.db2.gz DGIBIKLDAKBCOP-OCCSQVGLSA-N 2 0 285.388 -0.279 20 0 CBADRP C[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+](C)C ZINC000874253196 584079360 /nfs/dbraw/zinc/07/93/60/584079360.db2.gz KEBYRPAEYRPZQV-IJLUTSLNSA-N 2 0 255.362 -0.084 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC000874456428 584085036 /nfs/dbraw/zinc/08/50/36/584085036.db2.gz BEJOFNGOJNSNJV-LBPRGKRZSA-N 2 0 254.378 -0.556 20 0 CBADRP COC[C@@]1(C(=O)N2CCC(C[NH3+])CC2)C[NH2+]CCO1 ZINC000876507901 584130183 /nfs/dbraw/zinc/13/01/83/584130183.db2.gz GCEYVFJBQUWSDS-CYBMUJFWSA-N 2 0 271.361 -0.811 20 0 CBADRP COC[C@]1(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)C[NH2+]CCO1 ZINC000876516077 584130692 /nfs/dbraw/zinc/13/06/92/584130692.db2.gz KCKBTNQWMDGAGI-SCRDCRAPSA-N 2 0 285.388 -0.504 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876525964 584131227 /nfs/dbraw/zinc/13/12/27/584131227.db2.gz NWVYITXWHPAXIP-UWVGGRQHSA-N 2 0 276.331 -0.810 20 0 CBADRP COC[C@@]1(C(=O)NCC[C@@H]2CC[NH2+]C2)C[NH2+]CCO1 ZINC000876526430 584131236 /nfs/dbraw/zinc/13/12/36/584131236.db2.gz TWIBDDMSZGFGDZ-WCQYABFASA-N 2 0 271.361 -0.893 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876525979 584131255 /nfs/dbraw/zinc/13/12/55/584131255.db2.gz OJCLBOQCDOWWKF-WSNITJDQSA-N 2 0 280.416 -0.094 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)C[NH2+]CCO1 ZINC000876533811 584131830 /nfs/dbraw/zinc/13/18/30/584131830.db2.gz WKOMWQSUBJQMRY-WZRBSPASSA-N 2 0 271.361 -0.813 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CCO1 ZINC000876543072 584132870 /nfs/dbraw/zinc/13/28/70/584132870.db2.gz DSHLEPJWNSOHBQ-JBDRJPRFSA-N 2 0 263.288 -0.599 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000876544505 584133010 /nfs/dbraw/zinc/13/30/10/584133010.db2.gz VIMPJLZSECGISD-WMEQSLKISA-N 2 0 267.373 -0.027 20 0 CBADRP COC[C@]1(C(=O)N2CC[NH+](CC(C)C)CC2)C[NH2+]CCO1 ZINC000876709039 584140390 /nfs/dbraw/zinc/14/03/90/584140390.db2.gz HNTJGCKPWSIUDJ-HNNXBMFYSA-N 2 0 299.415 -0.208 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H](C)C[NH+]2CCCC2)C[NH2+]CCO1 ZINC000876729239 584141346 /nfs/dbraw/zinc/14/13/46/584141346.db2.gz IDFXLGVCBAOHTN-UKRRQHHQSA-N 2 0 299.415 -0.161 20 0 CBADRP COC[C@]1(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C[NH2+]CCO1 ZINC000876728469 584141405 /nfs/dbraw/zinc/14/14/05/584141405.db2.gz MXIBHFBAAFSYRV-ZFWWWQNUSA-N 2 0 299.415 -0.208 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000876743673 584141775 /nfs/dbraw/zinc/14/17/75/584141775.db2.gz HHHVDRZUUARRLO-ABHRYQDASA-N 2 0 297.399 -0.267 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876745069 584141913 /nfs/dbraw/zinc/14/19/13/584141913.db2.gz YPZOFERSIFZYSP-LOWDOPEQSA-N 2 0 285.363 -0.087 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)[C@@H](N)C[NH+](C)C)cn1 ZINC000876746902 584141964 /nfs/dbraw/zinc/14/19/64/584141964.db2.gz RQHKLDQFYNXQPW-NSHDSACASA-N 2 0 268.365 -0.728 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876744938 584141987 /nfs/dbraw/zinc/14/19/87/584141987.db2.gz HTTKOUSIDYXMKW-MNOVXSKESA-N 2 0 261.341 -0.372 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000876751282 584142215 /nfs/dbraw/zinc/14/22/15/584142215.db2.gz OIRHNYCOUCWYBG-DZGCQCFKSA-N 2 0 299.415 -0.018 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876749624 584142403 /nfs/dbraw/zinc/14/24/03/584142403.db2.gz BHXHRVIRPGQWEX-NEPJUHHUSA-N 2 0 272.393 -0.898 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000876751285 584142445 /nfs/dbraw/zinc/14/24/45/584142445.db2.gz OIRHNYCOUCWYBG-ZFWWWQNUSA-N 2 0 299.415 -0.018 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C[NH2+]CCO1 ZINC000876769066 584143741 /nfs/dbraw/zinc/14/37/41/584143741.db2.gz NCUVJSDUMKLZPN-GUTXKFCHSA-N 2 0 299.415 -0.020 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@]2(COC)C[NH2+]CCO2)C1 ZINC000876775099 584143796 /nfs/dbraw/zinc/14/37/96/584143796.db2.gz OHPQCTZGUCXBFO-UKRRQHHQSA-N 2 0 299.415 -0.208 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000876772749 584143897 /nfs/dbraw/zinc/14/38/97/584143897.db2.gz HAONKCRWDUBHDE-STQMWFEESA-N 2 0 284.404 -0.944 20 0 CBADRP C[NH+]1CCN(CCNC(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000876780917 584144162 /nfs/dbraw/zinc/14/41/62/584144162.db2.gz JSPUKEYGIFCBFF-UHFFFAOYSA-N 2 0 280.416 -0.118 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C[NH2+]CCO1 ZINC000876783359 584144280 /nfs/dbraw/zinc/14/42/80/584144280.db2.gz ZXXZEFLWXCXCRU-WHOFXGATSA-N 2 0 297.399 -0.410 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)C[NH2+]CCO1 ZINC000876783360 584144290 /nfs/dbraw/zinc/14/42/90/584144290.db2.gz ZXXZEFLWXCXCRU-ZLDLUXBVSA-N 2 0 297.399 -0.410 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876780400 584144301 /nfs/dbraw/zinc/14/43/01/584144301.db2.gz GOPKLWWOVAJEHH-ZDUSSCGKSA-N 2 0 285.436 -0.981 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000876787553 584144487 /nfs/dbraw/zinc/14/44/87/584144487.db2.gz VEVJMRDMNABVMQ-AGIUHOORSA-N 2 0 268.405 -0.134 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000876783516 584144521 /nfs/dbraw/zinc/14/45/21/584144521.db2.gz FHXJNAOCEFEDAE-KGLIPLIRSA-N 2 0 297.447 -0.886 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876784049 584144582 /nfs/dbraw/zinc/14/45/82/584144582.db2.gz VPACREMOVNBGPB-GRYCIOLGSA-N 2 0 268.405 -0.278 20 0 CBADRP C[NH2+]CCN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000876792646 584144832 /nfs/dbraw/zinc/14/48/32/584144832.db2.gz VJDJILFZFILLAQ-UHFFFAOYSA-N 2 0 253.350 -0.264 20 0 CBADRP COC[C@]1(C(=O)NCC2(C)CC[NH2+]CC2)C[NH2+]CCO1 ZINC000876798691 584145637 /nfs/dbraw/zinc/14/56/37/584145637.db2.gz LMPXHTJIKXGTFK-AWEZNQCLSA-N 2 0 285.388 -0.503 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000876808200 584147195 /nfs/dbraw/zinc/14/71/95/584147195.db2.gz OXBMRBLLPACWCZ-AOIOQCJFSA-N 2 0 253.346 -0.416 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C[NH2+]CCO1 ZINC000876811067 584147505 /nfs/dbraw/zinc/14/75/05/584147505.db2.gz BISXKZALCOFBSY-LOWVWBTDSA-N 2 0 271.361 -0.894 20 0 CBADRP CC(C)[C@H]1CN(C(=O)c2c(C[NH3+])cnn2C)CC[NH2+]1 ZINC000876827238 584147656 /nfs/dbraw/zinc/14/76/56/584147656.db2.gz MHVVFDIEYUUECA-LLVKDONJSA-N 2 0 265.361 -0.051 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000876829696 584147797 /nfs/dbraw/zinc/14/77/97/584147797.db2.gz PKICJPIUYPLKQQ-WCQYABFASA-N 2 0 264.373 -0.091 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000876829695 584147829 /nfs/dbraw/zinc/14/78/29/584147829.db2.gz PKICJPIUYPLKQQ-AAEUAGOBSA-N 2 0 264.373 -0.091 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000876845199 584148966 /nfs/dbraw/zinc/14/89/66/584148966.db2.gz AYVHVZRNSOYMIA-OAHLLOKOSA-N 2 0 288.395 -0.105 20 0 CBADRP COC[C@]1(CNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000876848027 584149417 /nfs/dbraw/zinc/14/94/17/584149417.db2.gz GQUMCWAOOKYPDM-DMDPSCGWSA-N 2 0 273.352 -0.181 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876848606 584149454 /nfs/dbraw/zinc/14/94/54/584149454.db2.gz LKGKSJSPVSHSOL-VWYCJHECSA-N 2 0 283.372 -0.277 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C[NH2+]CCO1 ZINC000876852330 584149933 /nfs/dbraw/zinc/14/99/33/584149933.db2.gz VTUGPUCAQOMGCW-UMVBOHGHSA-N 2 0 299.415 -0.127 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H](C)CCCC[NH3+])C[NH2+]CCO1 ZINC000876855238 584150252 /nfs/dbraw/zinc/15/02/52/584150252.db2.gz PJIQUXDMWFSHQB-WCQYABFASA-N 2 0 273.377 -0.375 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000876856232 584150285 /nfs/dbraw/zinc/15/02/85/584150285.db2.gz CRGOCGAYXQOIFC-NSHDSACASA-N 2 0 254.378 -0.523 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C[NH2+]CCO1 ZINC000876857602 584150552 /nfs/dbraw/zinc/15/05/52/584150552.db2.gz SNDQIAGDXRXZOU-SCRDCRAPSA-N 2 0 283.372 -0.798 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876878546 584152470 /nfs/dbraw/zinc/15/24/70/584152470.db2.gz GDTUZLIEFQPTPQ-RYUDHWBXSA-N 2 0 275.368 -0.029 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000876884676 584153059 /nfs/dbraw/zinc/15/30/59/584153059.db2.gz RONNFFCTRZKIAH-SDDRHHMPSA-N 2 0 256.394 -0.326 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000876913879 584154869 /nfs/dbraw/zinc/15/48/69/584154869.db2.gz VKVCJSGOZRIUTK-RWMBFGLXSA-N 2 0 268.405 -0.134 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000876916437 584155089 /nfs/dbraw/zinc/15/50/89/584155089.db2.gz BMSXLVXBEZXFTF-YYAQPZEXSA-N 2 0 253.346 -0.497 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000876919832 584155735 /nfs/dbraw/zinc/15/57/35/584155735.db2.gz ZSCTXOMENYWTKH-SCRDCRAPSA-N 2 0 285.388 -0.565 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C[NH2+]CCO1 ZINC000876923190 584155963 /nfs/dbraw/zinc/15/59/63/584155963.db2.gz AUONIKRYROFPIJ-QWHCGFSZSA-N 2 0 253.346 -0.281 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C[NH2+]CCO1 ZINC000876923189 584156012 /nfs/dbraw/zinc/15/60/12/584156012.db2.gz AUONIKRYROFPIJ-OLZOCXBDSA-N 2 0 253.346 -0.281 20 0 CBADRP C[C@@H]1C[C@@H](C)N(C(=O)[C@@H](N)C[NH+](C)C)C[C@@H]1C[NH3+] ZINC000876927854 584156229 /nfs/dbraw/zinc/15/62/29/584156229.db2.gz NIWGAUAKVPWCNA-WYUUTHIRSA-N 2 0 256.394 -0.293 20 0 CBADRP COC[C@@]1(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)C[NH2+]CCO1 ZINC000876934670 584156687 /nfs/dbraw/zinc/15/66/87/584156687.db2.gz IDJPELQPWUDOIA-SWLSCSKDSA-N 2 0 297.399 -0.218 20 0 CBADRP COC[C@@]1(C(=O)N(C)CC2CC[NH+](C)CC2)C[NH2+]CCO1 ZINC000876940507 584156988 /nfs/dbraw/zinc/15/69/88/584156988.db2.gz UCYQBTGAOWSQNP-OAHLLOKOSA-N 2 0 299.415 -0.208 20 0 CBADRP COC[C@]1(C(=O)N(C)CC(C)(C)[NH3+])C[NH2+]CCO1 ZINC000876957988 584158314 /nfs/dbraw/zinc/15/83/14/584158314.db2.gz NNSLRYJJRYUPAK-LBPRGKRZSA-N 2 0 259.350 -0.813 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876960514 584158409 /nfs/dbraw/zinc/15/84/09/584158409.db2.gz FFIUIFRHOUJFRC-OLZOCXBDSA-N 2 0 288.411 -0.066 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000876997628 584160375 /nfs/dbraw/zinc/16/03/75/584160375.db2.gz CEWBVAIZAUCIBK-KOLCDFICSA-N 2 0 254.334 -0.454 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C[NH2+]CCO1 ZINC000877005252 584161482 /nfs/dbraw/zinc/16/14/82/584161482.db2.gz PYVRTADSLRVWCU-BXUZGUMPSA-N 2 0 283.372 -0.608 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCNC(=O)C1 ZINC000877011559 584161760 /nfs/dbraw/zinc/16/17/60/584161760.db2.gz FYGYISBNJBGJEZ-OLZOCXBDSA-N 2 0 268.405 -0.119 20 0 CBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NC1(C[NH3+])CCOCC1 ZINC000877044317 584164020 /nfs/dbraw/zinc/16/40/20/584164020.db2.gz XYKDAUYHBRSKQB-ZJUUUORDSA-N 2 0 255.362 -0.016 20 0 CBADRP CC1(C)[C@H](C(=O)NC2(C[NH3+])CCOCC2)C[C@@H]1[NH3+] ZINC000877044315 584164073 /nfs/dbraw/zinc/16/40/73/584164073.db2.gz XYKDAUYHBRSKQB-UWVGGRQHSA-N 2 0 255.362 -0.016 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCCCC[C@H]([NH3+])C2)=NO1 ZINC000877126195 584167538 /nfs/dbraw/zinc/16/75/38/584167538.db2.gz ZCGGRHSCQOIDBQ-UWVGGRQHSA-N 2 0 254.334 -0.180 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[C@H]1C[NH+](C)C ZINC000877143237 584167714 /nfs/dbraw/zinc/16/77/14/584167714.db2.gz IUMAUPWVUWVUSA-RYPNDVFKSA-N 3 0 294.443 -0.065 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@H]1C[NH+](C)C ZINC000877143520 584167972 /nfs/dbraw/zinc/16/79/72/584167972.db2.gz QNEMDHDJRKUMJW-MCIONIFRSA-N 3 0 298.431 -0.827 20 0 CBADRP CC1(C)CC[C@@H](CNC(=O)CN2CC[NH2+]CC2)[NH2+]C1 ZINC000877150885 584168185 /nfs/dbraw/zinc/16/81/85/584168185.db2.gz DVXLLPPXMJSLJS-LBPRGKRZSA-N 2 0 268.405 -0.214 20 0 CBADRP CC1(C)CC[C@@H](CNC(=O)c2cn(CC[NH3+])nn2)[NH2+]C1 ZINC000877153322 584168199 /nfs/dbraw/zinc/16/81/99/584168199.db2.gz GSONNGTUQYYUDS-JTQLQIEISA-N 2 0 280.376 -0.255 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877152019 584168220 /nfs/dbraw/zinc/16/82/20/584168220.db2.gz XQFVXEPWBFIEOX-QWRGUYRKSA-N 2 0 256.394 -0.230 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877188287 584169869 /nfs/dbraw/zinc/16/98/69/584169869.db2.gz YCYXFFUZJLZPLK-QUNCOHTASA-N 2 0 269.345 -0.251 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)C[C@@H]1COCC[NH2+]1 ZINC000877188145 584169966 /nfs/dbraw/zinc/16/99/66/584169966.db2.gz QRHJRDSVHJNVRV-XSRFYTQQSA-N 2 0 253.346 -0.153 20 0 CBADRP [NH3+]Cc1cn(-c2cccc(CNC(=O)[C@H]3CC[NH2+]3)c2)nn1 ZINC000877207508 584170585 /nfs/dbraw/zinc/17/05/85/584170585.db2.gz YVSCXOCQFSHUJD-CYBMUJFWSA-N 2 0 286.339 -0.296 20 0 CBADRP COC[C@]1(C(=O)N2CC[N@H+](C)C(C)(C)CC2)C[NH2+]CCO1 ZINC000877206592 584170632 /nfs/dbraw/zinc/17/06/32/584170632.db2.gz MLOXTZZKXXGBSC-HNNXBMFYSA-N 2 0 299.415 -0.066 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877245095 584171904 /nfs/dbraw/zinc/17/19/04/584171904.db2.gz AFDYTSXBLDAKIY-OPDFLTKYSA-N 2 0 296.415 -0.267 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1=O ZINC000877243357 584171973 /nfs/dbraw/zinc/17/19/73/584171973.db2.gz OWEMCMIQEXTRNK-UTUOFQBUSA-N 2 0 282.388 -0.750 20 0 CBADRP COC[C@@]1(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)C[NH2+]CCO1 ZINC000877251297 584172851 /nfs/dbraw/zinc/17/28/51/584172851.db2.gz MBWCYWXZKLLCAV-UKRRQHHQSA-N 2 0 299.415 -0.210 20 0 CBADRP COCCC1(NC(=O)[C@]2(F)CC[NH2+]C2)CC[NH2+]CC1 ZINC000877267397 584173891 /nfs/dbraw/zinc/17/38/91/584173891.db2.gz USBCHTKFSHWPOX-ZDUSSCGKSA-N 2 0 273.352 -0.037 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877280274 584175712 /nfs/dbraw/zinc/17/57/12/584175712.db2.gz CBOPJHNEYBGRHG-UTUOFQBUSA-N 2 0 253.346 -0.282 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877337155 584179093 /nfs/dbraw/zinc/17/90/93/584179093.db2.gz OQYRNXSBHNHVBY-LBPRGKRZSA-N 2 0 285.388 -0.503 20 0 CBADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1C[NH2+]CCO1 ZINC000877336056 584179113 /nfs/dbraw/zinc/17/91/13/584179113.db2.gz HRDFYMFHMVMJEQ-RYUDHWBXSA-N 2 0 283.372 -0.750 20 0 CBADRP [NH3+]CCOCC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877371473 584179720 /nfs/dbraw/zinc/17/97/20/584179720.db2.gz RFKVAFHYBJOKLC-YUMQZZPRSA-N 2 0 269.267 -0.443 20 0 CBADRP [NH3+]CCOCC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877371469 584179780 /nfs/dbraw/zinc/17/97/80/584179780.db2.gz RFKVAFHYBJOKLC-HTQZYQBOSA-N 2 0 269.267 -0.443 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C2 ZINC000877373984 584180091 /nfs/dbraw/zinc/18/00/91/584180091.db2.gz SFTTYHXVQSLILF-SLEUVZQESA-N 2 0 294.399 -0.687 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000877374464 584180117 /nfs/dbraw/zinc/18/01/17/584180117.db2.gz KHENSHUUZPRXCE-DZGCQCFKSA-N 2 0 280.416 -0.308 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)nn1 ZINC000877388200 584180386 /nfs/dbraw/zinc/18/03/86/584180386.db2.gz XGHYSAHFIKNREA-YPMHNXCESA-N 2 0 278.360 -0.359 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)nn1 ZINC000877388197 584180431 /nfs/dbraw/zinc/18/04/31/584180431.db2.gz XGHYSAHFIKNREA-AAEUAGOBSA-N 2 0 278.360 -0.359 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877390097 584180571 /nfs/dbraw/zinc/18/05/71/584180571.db2.gz HUROBEAVRCJPCB-OUJBWJOFSA-N 2 0 269.345 -0.332 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000877451530 584182277 /nfs/dbraw/zinc/18/22/77/584182277.db2.gz QJRXJUWDGZOOSH-BZPMIXESSA-N 2 0 296.415 -0.219 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)C[NH2+]CCO1 ZINC000877451452 584182337 /nfs/dbraw/zinc/18/23/37/584182337.db2.gz MLQXUMHYSUDQCY-NFAWXSAZSA-N 2 0 297.399 -0.314 20 0 CBADRP COC(=O)[C@@H](C)C[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000877969640 584189186 /nfs/dbraw/zinc/18/91/86/584189186.db2.gz AUHUGGHUBYRAIM-NSHDSACASA-N 2 0 285.388 -0.062 20 0 CBADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2CC(N)=O)CC1 ZINC000878053172 584191525 /nfs/dbraw/zinc/19/15/25/584191525.db2.gz VSOGVEPDOBBFRN-ZDUSSCGKSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878052599 584191549 /nfs/dbraw/zinc/19/15/49/584191549.db2.gz NKJWXTZPJVOJCY-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H](O)CC[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878133805 584193808 /nfs/dbraw/zinc/19/38/08/584193808.db2.gz MVMLYHWGFLWLKB-NSHDSACASA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H](O)C[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H](C)CO ZINC000878486858 584205163 /nfs/dbraw/zinc/20/51/63/584205163.db2.gz ISNZMIKXXBVVDQ-NWDGAFQWSA-N 2 0 287.404 -0.740 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)[C@@H]1CO ZINC000878485175 584205260 /nfs/dbraw/zinc/20/52/60/584205260.db2.gz IZXFHYORZZHHMZ-DGCLKSJQSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H]1[C@H](O)CC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878684555 584213535 /nfs/dbraw/zinc/21/35/35/584213535.db2.gz JEGDFWROSHJLNE-ZYHUDNBSSA-N 2 0 255.362 -0.348 20 0 CBADRP CO[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)[C@](C)(CO)C1 ZINC000879261450 584231137 /nfs/dbraw/zinc/23/11/37/584231137.db2.gz KMRDAZHRJZEZAT-ZFWWWQNUSA-N 2 0 299.415 -0.332 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580328 584241999 /nfs/dbraw/zinc/24/19/99/584241999.db2.gz SNQXOZQYBLCZPE-QLFBSQMISA-N 2 0 285.432 -0.049 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@@H](CO)C[NH+]2CCCC2)CC1 ZINC000879993505 584258239 /nfs/dbraw/zinc/25/82/39/584258239.db2.gz SIBBDWMYLAZVNV-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC000879998382 584259025 /nfs/dbraw/zinc/25/90/25/584259025.db2.gz RKFTYVHNAXLEIE-NWDGAFQWSA-N 2 0 255.362 -0.489 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1C[C@@H]2CCC[NH+]2C[C@@H]1CO ZINC000880072649 584260876 /nfs/dbraw/zinc/26/08/76/584260876.db2.gz GAIIZVWWLLXNKQ-MJBXVCDLSA-N 2 0 271.405 -0.560 20 0 CBADRP C[N@H+](C[C@@H](O)CN1C[C@@H]2CCC[NH+]2C[C@@H]1CO)C1CC1 ZINC000880072970 584260935 /nfs/dbraw/zinc/26/09/35/584260935.db2.gz NSVRYYCVYOMQLH-RRFJBIMHSA-N 2 0 283.416 -0.418 20 0 CBADRP CO[C@H]1COCC[C@@H]1[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000880434812 584273740 /nfs/dbraw/zinc/27/37/40/584273740.db2.gz GWRJWUCXVJVQRM-KBPBESRZSA-N 2 0 299.415 -0.068 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)CN1CC[NH+](CC)CC1 ZINC000882487281 584318660 /nfs/dbraw/zinc/31/86/60/584318660.db2.gz CHIWPXWEKKGHHM-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCn3cnnn3)C2)C1 ZINC000883434727 584342311 /nfs/dbraw/zinc/34/23/11/584342311.db2.gz ZMFCTHUOAMFCOY-YNEHKIRRSA-N 2 0 280.376 -0.109 20 0 CBADRP O=C1NCC[C@@H]2CCC[N@H+](CCN3CC[NH2+]CC3)[C@H]12 ZINC000883462325 584343226 /nfs/dbraw/zinc/34/32/26/584343226.db2.gz OHZYPAPVUNOWBD-STQMWFEESA-N 2 0 266.389 -0.508 20 0 CBADRP CO[C@H]1COCC[C@@H]1[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000883461593 584343298 /nfs/dbraw/zinc/34/32/98/584343298.db2.gz YIETWJAGTJZHGO-STQMWFEESA-N 2 0 285.388 -0.456 20 0 CBADRP O=C(CC[N@@H+]1CCC[C@@H]2CCNC(=O)[C@H]21)N1CC[NH2+]CC1 ZINC000883462220 584343353 /nfs/dbraw/zinc/34/33/53/584343353.db2.gz MILOLRGFBQZWEU-OCCSQVGLSA-N 2 0 294.399 -0.591 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NCCOCC[NH+](C)C ZINC000883639536 584345869 /nfs/dbraw/zinc/34/58/69/584345869.db2.gz RMCMPXGDPLCRNZ-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP [NH3+]CCCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884008207 584355385 /nfs/dbraw/zinc/35/53/85/584355385.db2.gz GQFXHCLIIMKPHG-UHFFFAOYSA-N 2 0 263.345 -0.430 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884012028 584355525 /nfs/dbraw/zinc/35/55/25/584355525.db2.gz XIWRZKQPWAYQEC-ZDUSSCGKSA-N 2 0 289.383 -0.027 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000884020097 584355850 /nfs/dbraw/zinc/35/58/50/584355850.db2.gz NHYXCPREXGJWAB-NWDGAFQWSA-N 2 0 296.415 -0.455 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000884021596 584356188 /nfs/dbraw/zinc/35/61/88/584356188.db2.gz FTZBLVFMWNNUFI-GFCCVEGCSA-N 2 0 293.371 -0.207 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884024321 584356423 /nfs/dbraw/zinc/35/64/23/584356423.db2.gz OAGQBRCWVSCRLR-ZDUSSCGKSA-N 2 0 289.383 -0.027 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000884026783 584356429 /nfs/dbraw/zinc/35/64/29/584356429.db2.gz MBOIQWKDASYRCH-ZDUSSCGKSA-N 2 0 270.421 -0.016 20 0 CBADRP CC(C)([NH3+])CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884038859 584357023 /nfs/dbraw/zinc/35/70/23/584357023.db2.gz VNZPUBUEHNJPBT-UHFFFAOYSA-N 2 0 277.372 -0.042 20 0 CBADRP CN1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)[C@H](C[NH3+])C1 ZINC000884042055 584357372 /nfs/dbraw/zinc/35/73/72/584357372.db2.gz PACLUCAXMMAICB-GHMZBOCLSA-N 2 0 254.378 -0.667 20 0 CBADRP COCC[C@H]([NH3+])C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000884192225 584365336 /nfs/dbraw/zinc/36/53/36/584365336.db2.gz ZRTSZPRAXKZCRK-JQWIXIFHSA-N 2 0 275.418 -0.096 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000884213164 584367819 /nfs/dbraw/zinc/36/78/19/584367819.db2.gz UXZBEYMQQDAZKQ-VXGBXAGGSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000884234044 584368825 /nfs/dbraw/zinc/36/88/25/584368825.db2.gz GEELBPFLVYUCGX-CYBMUJFWSA-N 2 0 282.432 -0.014 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884235106 584369366 /nfs/dbraw/zinc/36/93/66/584369366.db2.gz MJDWULUFRQLKIP-OLZOCXBDSA-N 2 0 282.432 -0.016 20 0 CBADRP [NH3+][C@@H](CC1CC1)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000884285999 584372145 /nfs/dbraw/zinc/37/21/45/584372145.db2.gz WBLMQSXMXCKAAD-STQMWFEESA-N 2 0 266.389 -0.380 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884286279 584372294 /nfs/dbraw/zinc/37/22/94/584372294.db2.gz AUSCCYJSVPAJLI-QWRGUYRKSA-N 2 0 283.372 -0.405 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000884285623 584372299 /nfs/dbraw/zinc/37/22/99/584372299.db2.gz NZTVGUNLCGTDBS-QWHCGFSZSA-N 2 0 280.416 -0.262 20 0 CBADRP [NH3+][C@H](CC1CC1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000884289164 584372470 /nfs/dbraw/zinc/37/24/70/584372470.db2.gz VDFUGSWXBRXKHX-QWHCGFSZSA-N 2 0 266.389 -0.380 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884297084 584372770 /nfs/dbraw/zinc/37/27/70/584372770.db2.gz KKLQQJAHCVGMQU-QWRGUYRKSA-N 2 0 277.372 -0.043 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884297083 584372822 /nfs/dbraw/zinc/37/28/22/584372822.db2.gz KKLQQJAHCVGMQU-MNOVXSKESA-N 2 0 277.372 -0.043 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)CC1=O ZINC000884356212 584376154 /nfs/dbraw/zinc/37/61/54/584376154.db2.gz AGUMSCHPCFAHHH-WOPDTQHZSA-N 2 0 296.415 -0.362 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)CC1=O ZINC000884356210 584376229 /nfs/dbraw/zinc/37/62/29/584376229.db2.gz AGUMSCHPCFAHHH-IJLUTSLNSA-N 2 0 296.415 -0.362 20 0 CBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000884361124 584376472 /nfs/dbraw/zinc/37/64/72/584376472.db2.gz MMNDXLONULCOMX-YVNDNENWSA-N 2 0 253.346 -0.536 20 0 CBADRP C[S@](=O)C1(C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)CC[NH2+]CC1 ZINC000884365968 584376989 /nfs/dbraw/zinc/37/69/89/584376989.db2.gz RNJVVXWFLHYDSE-DQPNGWRMSA-N 2 0 287.429 -0.271 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NCc1ccc(C[NH3+])cc1F ZINC000884385859 584378012 /nfs/dbraw/zinc/37/80/12/584378012.db2.gz XIONYEYSTHDWDV-NSHDSACASA-N 2 0 255.293 -0.126 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000884393146 584378475 /nfs/dbraw/zinc/37/84/75/584378475.db2.gz VVVSCEQQZNWFDO-STQMWFEESA-N 2 0 285.388 -0.327 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)NCC1([NH3+])CCOCC1 ZINC000884432800 584381197 /nfs/dbraw/zinc/38/11/97/584381197.db2.gz QDXDCLGFWZEOLE-JTQLQIEISA-N 2 0 255.362 -0.144 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000884553560 584387792 /nfs/dbraw/zinc/38/77/92/584387792.db2.gz BAOAOWSRPHJQIT-RHYQMDGZSA-N 2 0 294.399 -0.324 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[N@@H+]1C1CC1 ZINC000884553971 584387872 /nfs/dbraw/zinc/38/78/72/584387872.db2.gz KWAAOBOMLXGWPR-ZPFDUUQYSA-N 2 0 292.383 -0.700 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000884576640 584388705 /nfs/dbraw/zinc/38/87/05/584388705.db2.gz MKZPWZXJJISLSS-AGIUHOORSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884577498 584388802 /nfs/dbraw/zinc/38/88/02/584388802.db2.gz GUFDASNDUCXIMI-UPJWGTAASA-N 2 0 296.415 -0.075 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)C1CC1 ZINC000884601528 584389623 /nfs/dbraw/zinc/38/96/23/584389623.db2.gz NYNHXTGTZMNQIR-QWRGUYRKSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])[N@H+](C)C1CC1 ZINC000884618260 584391163 /nfs/dbraw/zinc/39/11/63/584391163.db2.gz ZMODKRUYYMCTSI-JTQLQIEISA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+](C)C1CC1 ZINC000884617816 584391257 /nfs/dbraw/zinc/39/12/57/584391257.db2.gz SRDXUPPZTXEFSU-SDDRHHMPSA-N 2 0 294.399 -0.452 20 0 CBADRP CC(C)([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884626857 584391639 /nfs/dbraw/zinc/39/16/39/584391639.db2.gz XIJUPJJOLVKGPO-RYUDHWBXSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884626143 584391699 /nfs/dbraw/zinc/39/16/99/584391699.db2.gz BFGHDCVWKLITKH-YVECIDJPSA-N 2 0 294.399 -0.323 20 0 CBADRP CC(C)([NH3+])CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000884627330 584391723 /nfs/dbraw/zinc/39/17/23/584391723.db2.gz MCUZCJSNEZGZLC-NSHDSACASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000884631559 584392267 /nfs/dbraw/zinc/39/22/67/584392267.db2.gz OFOGQMHFXNIJRJ-RAIGVLPGSA-N 2 0 294.399 -0.465 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884665335 584393564 /nfs/dbraw/zinc/39/35/64/584393564.db2.gz PIKNZLYASCSGQT-IJLUTSLNSA-N 2 0 284.404 -0.219 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000884670270 584393948 /nfs/dbraw/zinc/39/39/48/584393948.db2.gz UJIWPUCHGMWWNV-AGIUHOORSA-N 2 0 294.399 -0.321 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884676518 584394906 /nfs/dbraw/zinc/39/49/06/584394906.db2.gz PAGYAWCLNKHLNA-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC[C@@H]21 ZINC000884678756 584395406 /nfs/dbraw/zinc/39/54/06/584395406.db2.gz LSWZRDMAHKWYQD-UPJWGTAASA-N 2 0 294.399 -0.608 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000884684581 584395872 /nfs/dbraw/zinc/39/58/72/584395872.db2.gz JMQMXGPMJGQSPK-CDWSIMAYSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884684780 584395944 /nfs/dbraw/zinc/39/59/44/584395944.db2.gz PIFSZRLJVUXVOL-GARJFASQSA-N 2 0 268.361 -0.998 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CCC1(C)C ZINC000884689086 584397119 /nfs/dbraw/zinc/39/71/19/584397119.db2.gz YJODPGAZHAOKAE-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000884705173 584399596 /nfs/dbraw/zinc/39/95/96/584399596.db2.gz JRILKZJVRWSBCT-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884723000 584400723 /nfs/dbraw/zinc/40/07/23/584400723.db2.gz UFAVEBHRTYVPOF-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000884824946 584404144 /nfs/dbraw/zinc/40/41/44/584404144.db2.gz WYXAWPXKWCIXBD-TUAOUCFPSA-N 2 0 280.372 -0.983 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC[C@H]21 ZINC000884824945 584404417 /nfs/dbraw/zinc/40/44/17/584404417.db2.gz WYXAWPXKWCIXBD-QJPTWQEYSA-N 2 0 280.372 -0.983 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884970012 584405917 /nfs/dbraw/zinc/40/59/17/584405917.db2.gz BXALVNDQTMZBQG-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000887089518 584463308 /nfs/dbraw/zinc/46/33/08/584463308.db2.gz FIZIMHJJEBKFDS-CYBMUJFWSA-N 2 0 296.415 -0.075 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000891492801 584582640 /nfs/dbraw/zinc/58/26/40/584582640.db2.gz JGALZLNACHFPME-QWRGUYRKSA-N 2 0 258.366 -0.304 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891540603 584584782 /nfs/dbraw/zinc/58/47/82/584584782.db2.gz USARHJLEOWQKPS-GZBFAFLISA-N 2 0 295.431 -0.517 20 0 CBADRP CCN(C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@H]1CC[NH2+]C1 ZINC000891540392 584584955 /nfs/dbraw/zinc/58/49/55/584584955.db2.gz QALNIDLXVSHAOV-QWHCGFSZSA-N 2 0 283.420 -0.374 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000891576926 584586930 /nfs/dbraw/zinc/58/69/30/584586930.db2.gz PFMMJKWRGUXJOG-FRRDWIJNSA-N 2 0 282.388 -0.147 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCOCC[NH+](C)C ZINC000891840783 584592991 /nfs/dbraw/zinc/59/29/91/584592991.db2.gz DEJLKIRAJVRPBL-GHMZBOCLSA-N 2 0 258.366 -0.304 20 0 CBADRP [NH3+]CCNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891976903 584596882 /nfs/dbraw/zinc/59/68/82/584596882.db2.gz POQBGBOQILENAF-RQJHMYQMSA-N 2 0 254.256 -0.276 20 0 CBADRP [NH3+]CCNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891976902 584596890 /nfs/dbraw/zinc/59/68/90/584596890.db2.gz POQBGBOQILENAF-RNFRBKRXSA-N 2 0 254.256 -0.276 20 0 CBADRP C[NH2+]CCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891993801 584597748 /nfs/dbraw/zinc/59/77/48/584597748.db2.gz LFPAJWYDBFRMOA-NSHDSACASA-N 2 0 270.377 -0.336 20 0 CBADRP COCCC1(NC(=O)N[C@@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC000892002163 584598573 /nfs/dbraw/zinc/59/85/73/584598573.db2.gz LEJYSIKMIQELRY-LLVKDONJSA-N 2 0 270.377 -0.194 20 0 CBADRP COCCC1(NC(=O)N[C@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC000892002164 584598631 /nfs/dbraw/zinc/59/86/31/584598631.db2.gz LEJYSIKMIQELRY-NSHDSACASA-N 2 0 270.377 -0.194 20 0 CBADRP COCC[NH2+]CCNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000892056001 584602230 /nfs/dbraw/zinc/60/22/30/584602230.db2.gz PJDDHQGOGWSTQC-SNVBAGLBSA-N 2 0 294.346 -0.234 20 0 CBADRP COCCC1(NC(=O)N[C@H](C)C[NH3+])CC[NH2+]CC1 ZINC000892061409 584602593 /nfs/dbraw/zinc/60/25/93/584602593.db2.gz HRKNAINDNFKPIW-SNVBAGLBSA-N 2 0 258.366 -0.209 20 0 CBADRP C[C@H]([NH3+])CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000892096939 584604554 /nfs/dbraw/zinc/60/45/54/584604554.db2.gz KJZHSENJADVLGX-YNEHKIRRSA-N 3 0 285.436 -0.286 20 0 CBADRP COCC1(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[NH2+]CC1 ZINC000892114487 584605231 /nfs/dbraw/zinc/60/52/31/584605231.db2.gz IAQXBRATUYBKRT-RYUDHWBXSA-N 2 0 282.388 -0.242 20 0 CBADRP CCN(C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@H]1CC[NH2+]C1 ZINC000892165797 584606975 /nfs/dbraw/zinc/60/69/75/584606975.db2.gz DBJVQCWZNQOAKV-RYUDHWBXSA-N 2 0 270.377 -0.242 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000892170610 584607111 /nfs/dbraw/zinc/60/71/11/584607111.db2.gz VBFKCLVPBIUSHM-VWYCJHECSA-N 2 0 256.350 -0.504 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892169987 584607182 /nfs/dbraw/zinc/60/71/82/584607182.db2.gz REWOVHAVNACQPB-GRYCIOLGSA-N 2 0 268.361 -0.489 20 0 CBADRP [NH3+][C@H]1CCCCCN(C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000892179110 584607665 /nfs/dbraw/zinc/60/76/65/584607665.db2.gz GNZGGQXCDYJPBE-RYUDHWBXSA-N 2 0 270.377 -0.112 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC[C@H]1C[NH2+]CCO1)C2 ZINC000892183243 584607979 /nfs/dbraw/zinc/60/79/79/584607979.db2.gz DRWDWJAGOQVFAB-DMDPSCGWSA-N 2 0 268.361 -0.774 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC[C@H]21 ZINC000892181828 584608146 /nfs/dbraw/zinc/60/81/46/584608146.db2.gz VYBQNEGMFJJKGG-FRRDWIJNSA-N 2 0 282.388 -0.290 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000892183872 584608357 /nfs/dbraw/zinc/60/83/57/584608357.db2.gz MDBCLWUDWNDDRB-GMXVVIOVSA-N 2 0 268.361 -0.441 20 0 CBADRP CNS(=O)(=O)[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000892236707 584610915 /nfs/dbraw/zinc/61/09/15/584610915.db2.gz UOGMANSDNXVPJJ-LBPRGKRZSA-N 2 0 275.418 -0.048 20 0 CBADRP CNS(=O)(=O)[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000892236706 584611112 /nfs/dbraw/zinc/61/11/12/584611112.db2.gz UOGMANSDNXVPJJ-GFCCVEGCSA-N 2 0 275.418 -0.048 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892281514 584612106 /nfs/dbraw/zinc/61/21/06/584612106.db2.gz HJQDSXASNIFXIN-UHFFFAOYSA-N 2 0 270.377 -0.112 20 0 CBADRP CCN(C(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000892287035 584612606 /nfs/dbraw/zinc/61/26/06/584612606.db2.gz GIZWTQROWKUNKA-GHMZBOCLSA-N 2 0 256.350 -0.632 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3COCC[NH2+]3)CC[C@H]21 ZINC000892288993 584612959 /nfs/dbraw/zinc/61/29/59/584612959.db2.gz IMBLIFYODRYUTE-FRRDWIJNSA-N 2 0 282.388 -0.290 20 0 CBADRP CCN(C(=O)NCCOCCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000892292390 584613587 /nfs/dbraw/zinc/61/35/87/584613587.db2.gz PLEAQVLLJCPWAW-LLVKDONJSA-N 2 0 258.366 -0.255 20 0 CBADRP [NH3+]CCN(CCO)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892455796 584617057 /nfs/dbraw/zinc/61/70/57/584617057.db2.gz OMTYBUSOIRABEU-UHFFFAOYSA-N 2 0 256.350 -0.685 20 0 CBADRP CN1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000892549552 584618491 /nfs/dbraw/zinc/61/84/91/584618491.db2.gz WHMOZHWTAJZKDB-OUAUKWLOSA-N 2 0 255.366 -0.992 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[C@H](C)[N@H+]1CCO ZINC000892565688 584619040 /nfs/dbraw/zinc/61/90/40/584619040.db2.gz CQNOMKPDFHWTHI-WNGYAQOMSA-N 2 0 284.404 -0.180 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC[C@H]1C[C@H]([NH3+])C1)C2 ZINC000892566438 584619209 /nfs/dbraw/zinc/61/92/09/584619209.db2.gz QDXPBQOUJZEVPP-MRBYEJRBSA-N 2 0 252.362 -0.025 20 0 CBADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH2+]CC1 ZINC000892755435 584625089 /nfs/dbraw/zinc/62/50/89/584625089.db2.gz HSYVMRLSGXGRDI-LBPRGKRZSA-N 2 0 282.388 -0.240 20 0 CBADRP O=C(C1C[NH+](C2CCOCC2)C1)N1CCN(CCO)CC1 ZINC000895585148 584682028 /nfs/dbraw/zinc/68/20/28/584682028.db2.gz IFGVFMFJMJCRAL-UHFFFAOYSA-N 2 0 297.399 -0.766 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000895819310 584687820 /nfs/dbraw/zinc/68/78/20/584687820.db2.gz WNNDVOYMQZYIRT-DGCLKSJQSA-N 2 0 267.373 -0.225 20 0 CBADRP C[C@@H](NC(=O)C1([NH+](C)C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC000896537448 584701461 /nfs/dbraw/zinc/70/14/61/584701461.db2.gz YWJCKPBIDFYJAG-VXGBXAGGSA-N 2 0 268.405 -0.169 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000897397990 584715038 /nfs/dbraw/zinc/71/50/38/584715038.db2.gz PJKGHBPOYISYCX-HNNXBMFYSA-N 2 0 297.399 -0.720 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000897446647 584716666 /nfs/dbraw/zinc/71/66/66/584716666.db2.gz XKQWRCQWCSQIFF-GXTWGEPZSA-N 2 0 284.404 -0.306 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CC[C@H](C(N)=O)C1 ZINC000898670288 584739889 /nfs/dbraw/zinc/73/98/89/584739889.db2.gz WAJCTGIHVCWZEE-QWHCGFSZSA-N 2 0 298.431 -0.112 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NCC[N@H+](C)CCO)CC1 ZINC000899732758 584776955 /nfs/dbraw/zinc/77/69/55/584776955.db2.gz MDNLNVPYJYTGME-UHFFFAOYSA-N 2 0 286.420 -0.946 20 0 CBADRP CC1CC[NH+](CC(=O)NCC[N@H+](C)CCO)CC1 ZINC000899734646 584777139 /nfs/dbraw/zinc/77/71/39/584777139.db2.gz OIORYLZZOIZHPJ-UHFFFAOYSA-N 2 0 257.378 -0.241 20 0 CBADRP C[N@H+](CCO)CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000899738089 584778314 /nfs/dbraw/zinc/77/83/14/584778314.db2.gz QWJPAWQOSGHTOB-UHFFFAOYSA-N 2 0 262.313 -0.012 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NC1CC[NH+](C)CC1 ZINC000900001328 584788187 /nfs/dbraw/zinc/78/81/87/584788187.db2.gz CTHPGEHLANVDEC-AAEUAGOBSA-N 2 0 255.362 -0.348 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CC1 ZINC000900374130 584801354 /nfs/dbraw/zinc/80/13/54/584801354.db2.gz MNMYIEAKTPCJDA-ZFWWWQNUSA-N 2 0 299.415 -0.378 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC1CC[NH+](C)CC1 ZINC000900486082 584807274 /nfs/dbraw/zinc/80/72/74/584807274.db2.gz WVIKYXRTYZVIDW-JSGCOSHPSA-N 2 0 269.389 -0.101 20 0 CBADRP COCC[N@H+](C)CCNC(=O)c1ccnn1CC[NH+](C)C ZINC000900518271 584809747 /nfs/dbraw/zinc/80/97/47/584809747.db2.gz OTDVEMDTVIZBDD-UHFFFAOYSA-N 2 0 297.403 -0.247 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900587333 584813823 /nfs/dbraw/zinc/81/38/23/584813823.db2.gz NJLRTKZPIFMNAE-OCCSQVGLSA-N 2 0 287.404 -0.522 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CCOCC1 ZINC000900714496 584824198 /nfs/dbraw/zinc/82/41/98/584824198.db2.gz SPEXOMVXWPJIQL-OCCSQVGLSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)[C@@H]1C[NH+](C)CCN1C ZINC000900807996 584827999 /nfs/dbraw/zinc/82/79/99/584827999.db2.gz XVOPBKVBJMQNPA-XFMPKHEZSA-N 2 0 298.431 -0.808 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC1=CC[NH+](C)CC1 ZINC000901329289 584861263 /nfs/dbraw/zinc/86/12/63/584861263.db2.gz FUZKSHPLWADTLQ-TZMCWYRMSA-N 2 0 267.373 -0.180 20 0 CBADRP CN1CCOC[C@]1(CO)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000903282708 584889925 /nfs/dbraw/zinc/88/99/25/584889925.db2.gz UTPUGKZZARXYMY-RRFJBIMHSA-N 2 0 283.416 -0.104 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903423187 584890264 /nfs/dbraw/zinc/89/02/64/584890264.db2.gz PUKWPNVHGQWTFA-NWDGAFQWSA-N 2 0 254.378 -0.475 20 0 CBADRP CC(C)NC(=O)C(=O)N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903429986 584890272 /nfs/dbraw/zinc/89/02/72/584890272.db2.gz MHJJAWUXKIZPHS-OLZOCXBDSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000903449885 584890497 /nfs/dbraw/zinc/89/04/97/584890497.db2.gz WJJDHRXAFYWOIY-RDBSUJKOSA-N 2 0 280.416 -0.262 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903452316 584890528 /nfs/dbraw/zinc/89/05/28/584890528.db2.gz LARGCMBSVKRYMD-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP COCCN1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC1=O ZINC000903456761 584890712 /nfs/dbraw/zinc/89/07/12/584890712.db2.gz KXUAKCVFGGQRLC-NEPJUHHUSA-N 2 0 255.362 -0.096 20 0 CBADRP CN(C)C(=O)[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCN1 ZINC000903457126 584890724 /nfs/dbraw/zinc/89/07/24/584890724.db2.gz OLJHDYWJRWVTHJ-GRYCIOLGSA-N 2 0 254.378 -0.524 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCN1CCOC1=O)C2 ZINC000903492596 584891604 /nfs/dbraw/zinc/89/16/04/584891604.db2.gz GQFKOTYUQPHETI-WDMOLILDSA-N 2 0 297.355 -0.349 20 0 CBADRP COC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492319 584891641 /nfs/dbraw/zinc/89/16/41/584891641.db2.gz AUNRRBCCPOXDPJ-COMAGPEQSA-N 2 0 270.329 -0.240 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H](C)C(=O)NC1CC1)C2 ZINC000903493124 584891661 /nfs/dbraw/zinc/89/16/61/584891661.db2.gz UPGOTQBHCXEELN-RSQPEXBXSA-N 2 0 295.383 -0.134 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)N1CCCC1)C2 ZINC000903492944 584891755 /nfs/dbraw/zinc/89/17/55/584891755.db2.gz MGQQCVAIYCUPRP-ZOWXZIJZSA-N 2 0 295.383 -0.179 20 0 CBADRP COC[C@H](C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1)OC ZINC000903494694 584891813 /nfs/dbraw/zinc/89/18/13/584891813.db2.gz LBNZAJPLIFLYDB-OPDFLTKYSA-N 2 0 286.372 -0.140 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H]1CNCCO1)C2 ZINC000903495107 584891903 /nfs/dbraw/zinc/89/19/03/584891903.db2.gz VOMCOCBNICOQOM-OPDFLTKYSA-N 2 0 283.372 -0.813 20 0 CBADRP C[C@@H]1C[N@H+](CC(=O)NCC(=O)N2CCCC2)C[C@H]1CC[NH3+] ZINC000903496131 584892049 /nfs/dbraw/zinc/89/20/49/584892049.db2.gz GWIWQQJOGWLWPI-CHWSQXEVSA-N 2 0 296.415 -0.358 20 0 CBADRP [NH3+]C[C@]12CC[C@H]1CCCN2S(=O)(=O)C1C[NH2+]C1 ZINC000903531878 584892695 /nfs/dbraw/zinc/89/26/95/584892695.db2.gz QQCXGHLGEHBISL-MWLCHTKSSA-N 2 0 259.375 -0.509 20 0 CBADRP CC1(C)CN(CCC(=O)N2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000903558149 584893177 /nfs/dbraw/zinc/89/31/77/584893177.db2.gz IQGANPNLMMQWMC-NSHDSACASA-N 2 0 254.378 -0.523 20 0 CBADRP O=S(=O)(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000903559349 584893197 /nfs/dbraw/zinc/89/31/97/584893197.db2.gz LDKSGNQLYPFVBJ-UKKRHICBSA-N 2 0 259.375 -0.449 20 0 CBADRP [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000903583929 584893950 /nfs/dbraw/zinc/89/39/50/584893950.db2.gz HXNGLANRWOLVFI-SDDRHHMPSA-N 2 0 273.402 -0.119 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903586969 584894011 /nfs/dbraw/zinc/89/40/11/584894011.db2.gz MLPLCPXNSGACSK-SNVBAGLBSA-N 2 0 263.407 -0.063 20 0 CBADRP [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000903584645 584894036 /nfs/dbraw/zinc/89/40/36/584894036.db2.gz KVOIIWIEGPKUGW-IJLUTSLNSA-N 2 0 289.401 -0.882 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903717128 584895535 /nfs/dbraw/zinc/89/55/35/584895535.db2.gz HEILCSHVASTHON-XUXIUFHCSA-N 2 0 269.389 -0.197 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)C)C[C@H]1CC[NH3+] ZINC000903719478 584895762 /nfs/dbraw/zinc/89/57/62/584895762.db2.gz LYPJRAKVVOBWOB-CHWSQXEVSA-N 2 0 298.431 -0.160 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903719703 584895814 /nfs/dbraw/zinc/89/58/14/584895814.db2.gz TYEASFPATUGPAN-LLVKDONJSA-N 2 0 284.404 -0.408 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903719348 584895840 /nfs/dbraw/zinc/89/58/40/584895840.db2.gz KCZQQEHZYJTEDU-NSHDSACASA-N 2 0 270.377 -0.654 20 0 CBADRP CC1(C)C(=O)NCCN1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903729060 584896196 /nfs/dbraw/zinc/89/61/96/584896196.db2.gz JJVIOGUQIITBLN-FZMZJTMJSA-N 2 0 267.373 -0.035 20 0 CBADRP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903746827 584896988 /nfs/dbraw/zinc/89/69/88/584896988.db2.gz LSDCGDZWRUUICB-RFQIPJPRSA-N 3 0 251.374 -0.094 20 0 CBADRP O[C@H](CN1CC[NH2+]C[C@@H]1C(F)F)C[NH+]1CCCC1 ZINC000903748970 584897095 /nfs/dbraw/zinc/89/70/95/584897095.db2.gz FBVWQKOJMNMIFN-WDEREUQCSA-N 2 0 263.332 -0.018 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000903750327 584897396 /nfs/dbraw/zinc/89/73/96/584897396.db2.gz XLIOJVRUSGTXOB-STQMWFEESA-N 2 0 285.388 -0.720 20 0 CBADRP CN(C)C(=O)[C@@H]1CN(C[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC000903756339 584897556 /nfs/dbraw/zinc/89/75/56/584897556.db2.gz QHPFVAVTOMHBNL-STQMWFEESA-N 2 0 268.405 -0.262 20 0 CBADRP CN1CC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCC1=O ZINC000903765450 584897973 /nfs/dbraw/zinc/89/79/73/584897973.db2.gz HIPILMLHGNAKBE-OCCSQVGLSA-N 2 0 267.373 -0.081 20 0 CBADRP FCCn1cc(CN2CC[NH2+]CC[NH2+]CC2)cn1 ZINC000903786545 584899707 /nfs/dbraw/zinc/89/97/07/584899707.db2.gz LPSXMDARAXCLKA-UHFFFAOYSA-N 2 0 255.341 -0.153 20 0 CBADRP CN(C[C@H]1CCC2(C[NH2+]C2)O1)C1(C[NH3+])CCOCC1 ZINC000903809993 584900482 /nfs/dbraw/zinc/90/04/82/584900482.db2.gz PPGSDPSHVAKULP-GFCCVEGCSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@](Cn1cccn1)([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C(N)=O ZINC000903829414 584901200 /nfs/dbraw/zinc/90/12/00/584901200.db2.gz GGXDIRBOPYWSLT-NTZNESFSSA-N 2 0 265.361 -0.156 20 0 CBADRP C[C@](Cn1cccn1)([NH2+]CC1CC[NH2+]CC1)C(N)=O ZINC000903829899 584901271 /nfs/dbraw/zinc/90/12/71/584901271.db2.gz NSQJTCUAWXVWPN-CYBMUJFWSA-N 2 0 265.361 -0.284 20 0 CBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCCCNC(=O)CC1 ZINC000903830182 584901451 /nfs/dbraw/zinc/90/14/51/584901451.db2.gz VOUICYZESFRGKA-ZDUSSCGKSA-N 2 0 257.378 -0.051 20 0 CBADRP C[C@@H]1CN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000903873499 584902896 /nfs/dbraw/zinc/90/28/96/584902896.db2.gz IXPDEMDALKFWGI-VXGBXAGGSA-N 2 0 264.377 -0.004 20 0 CBADRP C[C@H](C[NH3+])N(C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903874304 584902940 /nfs/dbraw/zinc/90/29/40/584902940.db2.gz XRLLREFDAXBJIA-GHMZBOCLSA-N 2 0 252.366 -0.018 20 0 CBADRP COC[C@H]1C[NH2+]CCN1Cc1nc(C(C)(C)[NH3+])no1 ZINC000903875957 584903338 /nfs/dbraw/zinc/90/33/38/584903338.db2.gz URYZSLUNRPAHMU-SECBINFHSA-N 2 0 269.349 -0.316 20 0 CBADRP C[C@H]1C(=O)NCCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903876646 584903347 /nfs/dbraw/zinc/90/33/47/584903347.db2.gz ZOCVJIZIMQUCQV-QWRGUYRKSA-N 2 0 253.346 -0.425 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2CC[NH2+]C[C@@H]2COC)CC1 ZINC000903876847 584903358 /nfs/dbraw/zinc/90/33/58/584903358.db2.gz NVUSVKVUZQIRBF-CQSZACIVSA-N 2 0 298.431 -0.493 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903882390 584903857 /nfs/dbraw/zinc/90/38/57/584903857.db2.gz NJXQDGKUJIIISS-NWDGAFQWSA-N 2 0 255.362 -0.715 20 0 CBADRP C[NH2+]CCOCCN(C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903935908 584904828 /nfs/dbraw/zinc/90/48/28/584904828.db2.gz VXXMYEVVGLIQFT-CYBMUJFWSA-N 2 0 296.419 -0.130 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000903964086 584905074 /nfs/dbraw/zinc/90/50/74/584905074.db2.gz LEUZPFWOKMNXHV-GDBMZVCRSA-N 2 0 296.459 -0.020 20 0 CBADRP Cn1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(=O)n(C)c1=O ZINC000903959139 584905141 /nfs/dbraw/zinc/90/51/41/584905141.db2.gz BHBJQLNGYUUTCI-WDEREUQCSA-N 2 0 266.345 -0.557 20 0 CBADRP C[C@]1(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)CC[NH2+]C1 ZINC000903970239 584905286 /nfs/dbraw/zinc/90/52/86/584905286.db2.gz SMWXWUVSLCKIJV-VXGBXAGGSA-N 2 0 275.418 -0.648 20 0 CBADRP CC(C)[C@@H](C(=O)N1CC[C@@H](N(C)CC(N)=O)C1)[NH+](C)C ZINC000971735831 614073751 /nfs/dbraw/zinc/07/37/51/614073751.db2.gz MAAYIBFHNXQXOZ-YPMHNXCESA-N 2 0 284.404 -0.409 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000968903897 614110187 /nfs/dbraw/zinc/11/01/87/614110187.db2.gz AHZPODLVPPATCD-QWHCGFSZSA-N 2 0 296.415 -0.360 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000968915698 614346909 /nfs/dbraw/zinc/34/69/09/614346909.db2.gz NUYFYMKAWKUYCH-CHWSQXEVSA-N 2 0 296.415 -0.075 20 0 CBADRP CC(C)N1CCO[C@@H](C(=O)N2CCN(CCCO)CC2)C1 ZINC000949840429 614363705 /nfs/dbraw/zinc/36/37/05/614363705.db2.gz CSWFXWORIPQLOL-CQSZACIVSA-N 2 0 299.415 -0.378 20 0 CBADRP CCN1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCO)CC2(C)C)C1 ZINC000977614512 615184251 /nfs/dbraw/zinc/18/42/51/615184251.db2.gz LKURXRMLKNJWDY-QWHCGFSZSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[NH+](C)C ZINC000969992370 615374700 /nfs/dbraw/zinc/37/47/00/615374700.db2.gz WQWICSMGCJRAEF-UTUOFQBUSA-N 2 0 282.388 -0.594 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[NH+](C)C ZINC000969074853 615603169 /nfs/dbraw/zinc/60/31/69/615603169.db2.gz WQWICSMGCJRAEF-IJLUTSLNSA-N 2 0 282.388 -0.594 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H](CC)C(N)=O)C1)[NH+](C)C ZINC000969077214 615822481 /nfs/dbraw/zinc/82/24/81/615822481.db2.gz LVSQURNTYUWZGA-GRYCIOLGSA-N 2 0 284.404 -0.219 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H]([NH2+]CCO)C2)cn1 ZINC000970231076 615915250 /nfs/dbraw/zinc/91/52/50/615915250.db2.gz KUAKIZVOPQZVCT-CYBMUJFWSA-N 2 0 295.387 -0.759 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCCO)C[C@@H]2O)CC1 ZINC000958373476 616167150 /nfs/dbraw/zinc/16/71/50/616167150.db2.gz FVRRIWAIORPRAT-KBPBESRZSA-N 2 0 299.415 -0.881 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC000981310795 616167361 /nfs/dbraw/zinc/16/73/61/616167361.db2.gz GVQTXOSYASZVKC-STQMWFEESA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000969626246 616183247 /nfs/dbraw/zinc/18/32/47/616183247.db2.gz GRWWAVIIZKDJGD-AGIUHOORSA-N 2 0 294.399 -0.450 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000969595029 616192201 /nfs/dbraw/zinc/19/22/01/616192201.db2.gz KVAPRZWVTHZNEK-GRYCIOLGSA-N 2 0 280.372 -0.840 20 0 CBADRP Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970713003 616265229 /nfs/dbraw/zinc/26/52/29/616265229.db2.gz VALSGQGURFOGMX-VXGBXAGGSA-N 2 0 292.387 -0.543 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC2CC3(C2)CC([NH2+]CCO)C3)C1 ZINC000965915362 616368301 /nfs/dbraw/zinc/36/83/01/616368301.db2.gz HGVDPLRVWDYKMU-PXWWDBQQSA-N 2 0 281.400 -0.053 20 0 CBADRP CNC(=O)CN1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970867928 616598763 /nfs/dbraw/zinc/59/87/63/616598763.db2.gz HYLJPQWIOPQKMW-QWRGUYRKSA-N 2 0 282.388 -0.879 20 0 CBADRP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229256320 656111080 /nfs/dbraw/zinc/11/10/80/656111080.db2.gz QWCGAEVYDLILAN-NXEZZACHSA-N 2 0 256.350 -0.109 20 0 CBADRP CC1(C)CC[C@H](CNS(=O)(=O)N2CC[NH2+]CC2)[NH2+]C1 ZINC000923664527 658388745 /nfs/dbraw/zinc/38/87/45/658388745.db2.gz BVHQYHXCWKEGTA-LLVKDONJSA-N 2 0 290.433 -0.496 20 0 CBADRP O=S(=O)(NC[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000923673740 658393711 /nfs/dbraw/zinc/39/37/11/658393711.db2.gz KBPLJTSWNNCJHJ-VHSXEESVSA-N 2 0 297.371 -0.097 20 0 CBADRP CCO[C@H](CNS(=O)(=O)[C@H]1CCC[NH2+]C1)C[NH+](C)C ZINC000923675539 658394231 /nfs/dbraw/zinc/39/42/31/658394231.db2.gz CLYGTKDTDDQTKB-NEPJUHHUSA-N 2 0 293.433 -0.376 20 0 CBADRP CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923673765 658394534 /nfs/dbraw/zinc/39/45/34/658394534.db2.gz LDOMYLADOAVAJI-MNOVXSKESA-N 2 0 261.391 -0.248 20 0 CBADRP CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923673764 658395387 /nfs/dbraw/zinc/39/53/87/658395387.db2.gz LDOMYLADOAVAJI-GHMZBOCLSA-N 2 0 261.391 -0.248 20 0 CBADRP CC1(C)CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000923678291 658395869 /nfs/dbraw/zinc/39/58/69/658395869.db2.gz VTYGXLCQJLOGDP-VHSXEESVSA-N 2 0 261.391 -0.263 20 0 CBADRP [NH3+][C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC000923678350 658396703 /nfs/dbraw/zinc/39/67/03/658396703.db2.gz WXTBDYRZATZCMJ-JGVFFNPUSA-N 2 0 287.307 -0.501 20 0 CBADRP COc1ccccc1N1CC[C@@H](NC(C[NH3+])C[NH3+])C1=O ZINC000923352217 658225075 /nfs/dbraw/zinc/22/50/75/658225075.db2.gz RKNVZULXUFVZQJ-LLVKDONJSA-N 2 0 278.356 -0.324 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000923378548 658246925 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[NH3+]C[C@@H]1CCCCN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923565031 658329903 /nfs/dbraw/zinc/32/99/03/658329903.db2.gz DQXDFVGMEZIRQI-QWRGUYRKSA-N 2 0 261.391 -0.119 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000923570734 658334024 /nfs/dbraw/zinc/33/40/24/658334024.db2.gz WEYFELNVMNTAMQ-VWYCJHECSA-N 2 0 261.391 -0.263 20 0 CBADRP [NH3+][C@H](CNS(=O)(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000923570026 658334173 /nfs/dbraw/zinc/33/41/73/658334173.db2.gz PCBRZFANLLBORT-GFCCVEGCSA-N 2 0 284.385 -0.574 20 0 CBADRP COCCC[N@H+](C)CCNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923620891 658355560 /nfs/dbraw/zinc/35/55/60/658355560.db2.gz ZNWFGOLBWYSLAH-LBPRGKRZSA-N 2 0 293.433 -0.374 20 0 CBADRP C[C@@H]1C[C@H](N(C)S(=O)(=O)C2C[NH2+]C2)CC[N@@H+]1C ZINC000923617491 658355732 /nfs/dbraw/zinc/35/57/32/658355732.db2.gz DHONMGXSXGYISA-NXEZZACHSA-N 2 0 261.391 -0.298 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923622738 658358469 /nfs/dbraw/zinc/35/84/69/658358469.db2.gz PMRQOVYHJYVJTK-GFCCVEGCSA-N 2 0 290.433 -0.590 20 0 CBADRP C[NH+](C)[C@@]1(CNS(=O)(=O)C2C[NH2+]C2)CCSC1 ZINC000923624226 658359508 /nfs/dbraw/zinc/35/95/08/658359508.db2.gz NPMYACRVVVEAEW-SNVBAGLBSA-N 2 0 279.431 -0.685 20 0 CBADRP CC1(CNS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000923638690 658368253 /nfs/dbraw/zinc/36/82/53/658368253.db2.gz RROVKQIACYAUGB-UHFFFAOYSA-N 2 0 276.406 -0.884 20 0 CBADRP O=S(=O)(NCC1=CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000923638626 658368465 /nfs/dbraw/zinc/36/84/65/658368465.db2.gz QENRCTGRBSBKHF-NSHDSACASA-N 2 0 259.375 -0.423 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)N3CC[NH2+]CC3)C[C@@H]21 ZINC000923637507 658369268 /nfs/dbraw/zinc/36/92/68/658369268.db2.gz QJPZXJCYSLAICW-GRYCIOLGSA-N 2 0 288.417 -0.804 20 0 CBADRP C[C@@H]1[NH2+]CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000923639274 658369605 /nfs/dbraw/zinc/36/96/05/658369605.db2.gz JATLXWXCKZETRO-GARJFASQSA-N 2 0 261.391 -0.250 20 0 CBADRP CN([C@H](C[NH3+])C1CC1)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923640606 658370017 /nfs/dbraw/zinc/37/00/17/658370017.db2.gz LSBHAEFIFXFIOC-GHMZBOCLSA-N 2 0 261.391 -0.263 20 0 CBADRP O=S(=O)(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000923643474 658371335 /nfs/dbraw/zinc/37/13/35/658371335.db2.gz CKSDDGBUKBLRJW-WDEREUQCSA-N 2 0 277.390 -0.964 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923652910 658378438 /nfs/dbraw/zinc/37/84/38/658378438.db2.gz UNAQKSQSNDRGOX-OUAUKWLOSA-N 2 0 261.391 -0.120 20 0 CBADRP C[NH2+]Cc1ccccc1CNS(=O)(=O)C1C[NH2+]C1 ZINC000923652530 658378679 /nfs/dbraw/zinc/37/86/79/658378679.db2.gz PHJOCPIHLQAENP-UHFFFAOYSA-N 2 0 269.370 -0.203 20 0 CBADRP CCN([C@H]1CCC[NH2+]CC1)S(=O)(=O)C1C[NH2+]C1 ZINC000923655708 658380695 /nfs/dbraw/zinc/38/06/95/658380695.db2.gz MLRCYKCUKHCZCF-JTQLQIEISA-N 2 0 261.391 -0.248 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(S(=O)(=O)C3C[NH2+]C3)CC[C@H]21 ZINC000923665642 658386841 /nfs/dbraw/zinc/38/68/41/658386841.db2.gz GABJLEDRGDTIFJ-GXSJLCMTSA-N 2 0 259.375 -0.686 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)[C@H]1CCC[NH2+]C1)C2 ZINC000923664012 658386942 /nfs/dbraw/zinc/38/69/42/658386942.db2.gz NSZPMIWBIFSITC-RWMBFGLXSA-N 2 0 287.429 0.000 20 0 CBADRP COCCC[N@H+](C)CCN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924693635 658630982 /nfs/dbraw/zinc/63/09/82/658630982.db2.gz FGTGERAVIIUNQW-NSHDSACASA-N 2 0 286.376 -0.563 20 0 CBADRP OCCC[N@@H+]1CCC[C@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925678532 658864842 /nfs/dbraw/zinc/86/48/42/658864842.db2.gz FPCMPWKKSDXQMB-STQMWFEESA-N 2 0 257.378 -0.589 20 0 CBADRP C(CC[NH2+][C@@H]1CNCCOC1)CCN1CC[NH2+]CC1 ZINC000925839244 658874461 /nfs/dbraw/zinc/87/44/61/658874461.db2.gz AOZMWXIXIDNXDP-CQSZACIVSA-N 2 0 270.421 -0.360 20 0 CBADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CNOC2)CC[NH2+]CC1 ZINC000925861271 658874769 /nfs/dbraw/zinc/87/47/69/658874769.db2.gz ZUGLQZNOQLLQTB-WDEREUQCSA-N 2 0 271.361 -0.199 20 0 CBADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)C1 ZINC000925855609 658875056 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C[C@@H](CC[NH+](C)C)NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000049646519 656020811 /nfs/dbraw/zinc/02/08/11/656020811.db2.gz IBIUUVCZSMNWFN-QWRGUYRKSA-N 2 0 263.407 -0.002 20 0 CBADRP C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000061645177 656032990 /nfs/dbraw/zinc/03/29/90/656032990.db2.gz YMSCWXLCFNHWRL-NSHDSACASA-N 2 0 276.406 -0.838 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCC2CC2)C1 ZINC000063179808 656033977 /nfs/dbraw/zinc/03/39/77/656033977.db2.gz FWIAPKJODZJSEH-LBPRGKRZSA-N 2 0 282.388 -0.701 20 0 CBADRP CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179646 656034172 /nfs/dbraw/zinc/03/41/72/656034172.db2.gz NEHCTNOJJOKYBD-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP C[N@H+](CCNS(=O)(=O)N1CC[NH2+]CC1)C1CCCC1 ZINC000071379509 656041885 /nfs/dbraw/zinc/04/18/85/656041885.db2.gz FFDVVEXUHWCNEJ-UHFFFAOYSA-N 2 0 290.433 -0.400 20 0 CBADRP C[N@H+](CC[C@@H]1CCCO1)CC(=O)N1CC[NH2+]CC1 ZINC000087266377 656052468 /nfs/dbraw/zinc/05/24/68/656052468.db2.gz AHRAJEZBNQRTCL-LBPRGKRZSA-N 2 0 255.362 -0.081 20 0 CBADRP CC(C)(C[NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666910 656058786 /nfs/dbraw/zinc/05/87/86/656058786.db2.gz JYSICTHSVXUPOG-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP CC(C)(C[NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666909 656058803 /nfs/dbraw/zinc/05/88/03/656058803.db2.gz JYSICTHSVXUPOG-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP CC(C)[NH2+]CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668303 656059037 /nfs/dbraw/zinc/05/90/37/656059037.db2.gz ROVZDHFQGUTCGL-VXGBXAGGSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@]1(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH2+]C1 ZINC000091668126 656059095 /nfs/dbraw/zinc/05/90/95/656059095.db2.gz CBQORJXYPGISQS-BZPMIXESSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(COC1CC[NH2+]CC1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000091667901 656059244 /nfs/dbraw/zinc/05/92/44/656059244.db2.gz OJVFDJVHCRVYOU-JSGCOSHPSA-N 2 0 297.399 -0.266 20 0 CBADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](C[NH3+])C2)C1 ZINC000093698371 656060818 /nfs/dbraw/zinc/06/08/18/656060818.db2.gz PLFPGIHALZBVOQ-VXGBXAGGSA-N 2 0 275.418 -0.061 20 0 CBADRP C[C@H]1C[N@H+](CC(=O)N2CCOCC2)CC[C@@H]1C[NH3+] ZINC000122305502 656066978 /nfs/dbraw/zinc/06/69/78/656066978.db2.gz MFZNCADMCQOQMV-NWDGAFQWSA-N 2 0 255.362 -0.238 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H](C[NH3+])C2)CC1=O ZINC000178555516 656089218 /nfs/dbraw/zinc/08/92/18/656089218.db2.gz GYFRXJZFLBUDGZ-VXGBXAGGSA-N 2 0 282.388 -0.796 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252539408 656122912 /nfs/dbraw/zinc/12/29/12/656122912.db2.gz BNXRJKWPXBCNNV-SDDRHHMPSA-N 2 0 255.362 -0.051 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](C)[C@H](C)C1 ZINC000310849828 656144149 /nfs/dbraw/zinc/14/41/49/656144149.db2.gz IWDVXSKREPNADZ-CHWSQXEVSA-N 2 0 259.394 -0.439 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000310775270 656144400 /nfs/dbraw/zinc/14/44/00/656144400.db2.gz VOBQKMTVWQAXEW-LBPRGKRZSA-N 2 0 254.378 -0.523 20 0 CBADRP CO[C@@H]1COCC[C@@H]1[N@H+](C)CCN1CC[NH2+]CC1 ZINC000310863053 656144441 /nfs/dbraw/zinc/14/44/41/656144441.db2.gz OHVFWYFQPKRIFF-QWHCGFSZSA-N 2 0 257.378 -0.373 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000310959576 656145047 /nfs/dbraw/zinc/14/50/47/656145047.db2.gz PMLDESHFRAFOOI-NWDGAFQWSA-N 2 0 255.362 -0.097 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1C[C@H](O)C[N@H+](C)CCOC ZINC000311456048 656145778 /nfs/dbraw/zinc/14/57/78/656145778.db2.gz KOJATYKQGUZXOB-UONOGXRCSA-N 2 0 273.421 -0.001 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CCCC[C@@H]1C[NH3+] ZINC000311183499 656145849 /nfs/dbraw/zinc/14/58/49/656145849.db2.gz ZYXDVRMQXZWBAB-CHWSQXEVSA-N 2 0 259.394 -0.261 20 0 CBADRP COCCN(C)C[C@@H](O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000311667230 656146354 /nfs/dbraw/zinc/14/63/54/656146354.db2.gz GQJPJQVPPRMRQX-TZMCWYRMSA-N 2 0 273.421 -0.015 20 0 CBADRP COCC[N@H+](C)C[C@H](O)Cn1cc(C[NH2+]C(C)C)nn1 ZINC000312799972 656147559 /nfs/dbraw/zinc/14/75/59/656147559.db2.gz RETWAMIHDFEJKA-ZDUSSCGKSA-N 2 0 285.392 -0.285 20 0 CBADRP C[C@@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)[NH+](C)C ZINC000446287786 656172013 /nfs/dbraw/zinc/17/20/13/656172013.db2.gz LSLKFVTXRKYAOL-QMMMGPOBSA-N 2 0 251.334 -0.265 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H](N)C[NH+](C)C ZINC000702418321 656180607 /nfs/dbraw/zinc/18/06/07/656180607.db2.gz AYWYRHCEAXIQEV-NEPJUHHUSA-N 2 0 256.394 -0.134 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000702415516 656181018 /nfs/dbraw/zinc/18/10/18/656181018.db2.gz BMSPCKFIGOBGAS-RWMBFGLXSA-N 2 0 268.405 -0.182 20 0 CBADRP C[N@@H+]1CC[C@](O)(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000702575133 656181950 /nfs/dbraw/zinc/18/19/50/656181950.db2.gz WGKRMTBKKVQMGE-GAURVVSWSA-N 2 0 251.374 -0.361 20 0 CBADRP COC[C@H](C)OC[C@H](O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703538307 656183372 /nfs/dbraw/zinc/18/33/72/656183372.db2.gz IMCRAKOBFODJLM-IGQOVBAYSA-N 2 0 272.389 -0.060 20 0 CBADRP Cn1c(CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc(=O)n(C)c1=O ZINC000703614584 656183490 /nfs/dbraw/zinc/18/34/90/656183490.db2.gz PLHMIDQLCBNXEV-IINYFYTJSA-N 2 0 278.356 -0.875 20 0 CBADRP CN1CC[C@@H]([NH+]2CCC(O)(C[NH+](C)C)CC2)C1=O ZINC000710623793 656199362 /nfs/dbraw/zinc/19/93/62/656199362.db2.gz QXPCCAFSMYIFHV-LLVKDONJSA-N 2 0 255.362 -0.394 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+]2C)C[NH2+]CCO1 ZINC000710756107 656200410 /nfs/dbraw/zinc/20/04/10/656200410.db2.gz UZHZWZKLMYBHDV-WCQYABFASA-N 2 0 271.361 -0.798 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000710741572 656200417 /nfs/dbraw/zinc/20/04/17/656200417.db2.gz HTNJLUDIZXSLOR-RISCZKNCSA-N 2 0 283.372 -0.656 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CCC[N@H+](C)C2)C[NH2+]CCO1 ZINC000710755552 656200751 /nfs/dbraw/zinc/20/07/51/656200751.db2.gz PTZIWTJKWSDPRE-YPMHNXCESA-N 2 0 271.361 -0.798 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H]2CC[N@H+](C)C2)C[NH2+]CCO1 ZINC000710755085 656200978 /nfs/dbraw/zinc/20/09/78/656200978.db2.gz KZVDDPWCKSVNCY-WCQYABFASA-N 2 0 271.361 -0.941 20 0 CBADRP COC[C@]1(C(=O)NC[C@H](C)[N@H+](C)C2CC2)C[NH2+]CCO1 ZINC000710784683 656201324 /nfs/dbraw/zinc/20/13/24/656201324.db2.gz RLSWLGHNMBVYQZ-FZMZJTMJSA-N 2 0 285.388 -0.410 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]2CCC[N@H+](C)C2)C[NH2+]CCO1 ZINC000710784207 656201858 /nfs/dbraw/zinc/20/18/58/656201858.db2.gz PVFRQJWTUUJHME-OCCSQVGLSA-N 2 0 285.388 -0.551 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@]2(COC)C[NH2+]CCO2)C1 ZINC000710824759 656203439 /nfs/dbraw/zinc/20/34/39/656203439.db2.gz HSRPRMULLNAUIG-GXTWGEPZSA-N 2 0 285.388 -0.408 20 0 CBADRP COC[C@]1(C(=O)N[C@@H](C)CC[NH+](C)C)C[NH2+]CCO1 ZINC000710840277 656204348 /nfs/dbraw/zinc/20/43/48/656204348.db2.gz YJNJUVJXJNNRLD-AAEUAGOBSA-N 2 0 273.377 -0.552 20 0 CBADRP COC[C@@]1(C(=O)NCCCC[NH+](C)C)C[NH2+]CCO1 ZINC000710840309 656204427 /nfs/dbraw/zinc/20/44/27/656204427.db2.gz ZHIJUTWKNYUDCH-CYBMUJFWSA-N 2 0 273.377 -0.551 20 0 CBADRP COC[C@]1(C(=O)NCCCC[NH+](C)C)C[NH2+]CCO1 ZINC000710840311 656204928 /nfs/dbraw/zinc/20/49/28/656204928.db2.gz ZHIJUTWKNYUDCH-ZDUSSCGKSA-N 2 0 273.377 -0.551 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711394494 656208447 /nfs/dbraw/zinc/20/84/47/656208447.db2.gz LOSFPLCZILMIEB-NSHDSACASA-N 2 0 257.378 -0.074 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715155005 656218963 /nfs/dbraw/zinc/21/89/63/656218963.db2.gz GUVFUHJHWKBJKB-IUCAKERBSA-N 2 0 265.304 -0.479 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)CC[NH2+]CC1CC1 ZINC000717164600 656226335 /nfs/dbraw/zinc/22/63/35/656226335.db2.gz JKSRVJNQTOMIPG-CYBMUJFWSA-N 2 0 268.405 -0.262 20 0 CBADRP O=C(CC[NH2+]CC1CC1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000717196483 656227019 /nfs/dbraw/zinc/22/70/19/656227019.db2.gz NEJYJUJCDVPTSM-CQSZACIVSA-N 2 0 280.416 -0.118 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)C[C@H]1C[NH2+]CCO1 ZINC000877192941 656245697 /nfs/dbraw/zinc/24/56/97/656245697.db2.gz VCTFIAUENQWJTL-AKJDGMEZSA-N 2 0 253.346 -0.153 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCCC[NH2+]1 ZINC000877242071 656246071 /nfs/dbraw/zinc/24/60/71/656246071.db2.gz BKPSMRVTRGEJQH-NTZNESFSSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]Cc1ncc(C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)cn1 ZINC000877386422 656246769 /nfs/dbraw/zinc/24/67/69/656246769.db2.gz RATRSPYLBJXGSN-GWCFXTLKSA-N 2 0 261.329 -0.050 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000884640335 656253393 /nfs/dbraw/zinc/25/33/93/656253393.db2.gz BHWRDCRPRRDDRE-NEPJUHHUSA-N 2 0 296.415 -0.075 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(CC)[C@H]2CC[NH2+]C2)C1 ZINC000884787054 656254940 /nfs/dbraw/zinc/25/49/40/656254940.db2.gz FJDHHAAOQPWVPU-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000884908800 656258047 /nfs/dbraw/zinc/25/80/47/656258047.db2.gz FAXXAOCLTVJGKL-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP O=C(N[C@@H](CO)C[NH+]1CCCC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897766904 656295099 /nfs/dbraw/zinc/29/50/99/656295099.db2.gz SWNPPYFSOKJAJZ-KGLIPLIRSA-N 2 0 297.399 -0.720 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904300106 656324443 /nfs/dbraw/zinc/32/44/43/656324443.db2.gz WETGYHOTFGFACQ-SDDRHHMPSA-N 3 0 254.378 -0.489 20 0 CBADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC000904332149 656325215 /nfs/dbraw/zinc/32/52/15/656325215.db2.gz NOXXLVYBTUKABQ-XQQFMLRXSA-N 2 0 266.389 -0.380 20 0 CBADRP CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904364308 656325268 /nfs/dbraw/zinc/32/52/68/656325268.db2.gz UUKSGNNMKGQZOA-OUAUKWLOSA-N 2 0 261.391 -0.263 20 0 CBADRP [NH3+]CCN1CCC(N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000904354846 656325496 /nfs/dbraw/zinc/32/54/96/656325496.db2.gz JQQHETMQCDOTOL-LLVKDONJSA-N 2 0 262.348 -0.004 20 0 CBADRP c1cc(N2CC[NH2+]CC2)oc1CNC[C@H]1C[NH2+]CCO1 ZINC000904371772 656325742 /nfs/dbraw/zinc/32/57/42/656325742.db2.gz SUZJSPDLYNJGCM-CYBMUJFWSA-N 2 0 280.372 -0.233 20 0 CBADRP CCN(C)C(=O)[C@@H](C)[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904368837 656325940 /nfs/dbraw/zinc/32/59/40/656325940.db2.gz OBTKSXJOFQTVKQ-LLVKDONJSA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@@]1(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)CCC[NH2+]C1 ZINC000904376640 656326003 /nfs/dbraw/zinc/32/60/03/656326003.db2.gz VUTSZYSHGYKELA-NWDGAFQWSA-N 2 0 275.418 0.000 20 0 CBADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1 ZINC000904379931 656326089 /nfs/dbraw/zinc/32/60/89/656326089.db2.gz FTSLJYKCTJLNDY-WVWOOGAGSA-N 3 0 294.399 -0.019 20 0 CBADRP CN1C(=O)[C@H]2C[N@H+](C[C@]3(C)CCC[NH2+]C3)C[C@H]2C1=O ZINC000904384545 656326104 /nfs/dbraw/zinc/32/61/04/656326104.db2.gz MHTLKIKCFPVUFW-UHIISALHSA-N 2 0 265.357 -0.077 20 0 CBADRP Cn1nnc2cc(CN3CC[NH2+]CC[NH2+]CC3)ccc21 ZINC000904398193 656327138 /nfs/dbraw/zinc/32/71/38/656327138.db2.gz MUAGLJCLXSSZLC-UHFFFAOYSA-N 2 0 274.372 -0.037 20 0 CBADRP C[C@@H]1C[C@@H](C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)CC[NH2+]1 ZINC000904433929 656327588 /nfs/dbraw/zinc/32/75/88/656327588.db2.gz QWNTYEZOHNTVMV-WOPDTQHZSA-N 2 0 288.417 -0.791 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000904955418 656330821 /nfs/dbraw/zinc/33/08/21/656330821.db2.gz CCCUZPJZACCGBN-TYNCELHUSA-N 2 0 294.399 -0.783 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)CC[NH2+]1 ZINC000904964110 656331086 /nfs/dbraw/zinc/33/10/86/656331086.db2.gz KJHQOXKCILSFEI-LBPRGKRZSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905108938 656338737 /nfs/dbraw/zinc/33/87/37/656338737.db2.gz AINKDISGBRAHAM-AGIUHOORSA-N 2 0 260.378 -0.181 20 0 CBADRP C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)C2(O)CCC2)CC1 ZINC000905150545 656341799 /nfs/dbraw/zinc/34/17/99/656341799.db2.gz ZPGPQIIDIFBTTK-AWEZNQCLSA-N 2 0 285.432 -0.122 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000905330522 656349283 /nfs/dbraw/zinc/34/92/83/656349283.db2.gz TWPXGLQWILPELV-ZYHUDNBSSA-N 2 0 275.418 -0.015 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NCC[NH2+]C1CC1 ZINC000905328958 656349317 /nfs/dbraw/zinc/34/93/17/656349317.db2.gz FQMXSHALBNEIQO-UHFFFAOYSA-N 2 0 261.391 -0.343 20 0 CBADRP [NH3+]C[C@@H]1CCCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905328934 656349514 /nfs/dbraw/zinc/34/95/14/656349514.db2.gz FEYZHLIQYPSVHZ-LBPRGKRZSA-N 2 0 275.418 -0.014 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000905343124 656350616 /nfs/dbraw/zinc/35/06/16/656350616.db2.gz HWIZCFVXIWZJBR-CHWSQXEVSA-N 2 0 287.429 0.000 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000905343623 656350858 /nfs/dbraw/zinc/35/08/58/656350858.db2.gz KTYLEHDJHDUJPB-QWRGUYRKSA-N 2 0 279.381 -0.395 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905345001 656351316 /nfs/dbraw/zinc/35/13/16/656351316.db2.gz SUAHIZKTAQBWDC-ZYHUDNBSSA-N 2 0 275.418 -0.097 20 0 CBADRP C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905344645 656351407 /nfs/dbraw/zinc/35/14/07/656351407.db2.gz QDPYWZARNDBRCZ-JQWIXIFHSA-N 2 0 275.418 -0.097 20 0 CBADRP C[NH2+][C@H]1CCCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905345419 656351454 /nfs/dbraw/zinc/35/14/54/656351454.db2.gz WIFIFQYEEOAJCJ-LBPRGKRZSA-N 2 0 275.418 0.000 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000905344542 656351458 /nfs/dbraw/zinc/35/14/58/656351458.db2.gz PDVBGTBNZQWIMC-QWHCGFSZSA-N 2 0 287.429 0.000 20 0 CBADRP CC1(C)[NH2+]CC[C@H]1NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000905356379 656353130 /nfs/dbraw/zinc/35/31/30/656353130.db2.gz ATMFUENTUZTVFN-NXEZZACHSA-N 2 0 277.390 -0.965 20 0 CBADRP CCN([C@H]1CC[NH2+]C1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905363909 656354014 /nfs/dbraw/zinc/35/40/14/656354014.db2.gz ZPVCVXKJRLTOCS-LBPRGKRZSA-N 2 0 275.418 0.000 20 0 CBADRP CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905363908 656354049 /nfs/dbraw/zinc/35/40/49/656354049.db2.gz ZPVCVXKJRLTOCS-GFCCVEGCSA-N 2 0 275.418 0.000 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2ccns2)CC1 ZINC000905417228 656357030 /nfs/dbraw/zinc/35/70/30/656357030.db2.gz JYEOLNJREUFHTG-GFCCVEGCSA-N 2 0 284.429 -0.117 20 0 CBADRP O[C@H](C[NH2+][C@@H]1CC[C@@H](O)[C@@H](O)CC1)C[NH+]1CCCC1 ZINC000905467166 656358954 /nfs/dbraw/zinc/35/89/54/656358954.db2.gz TUWSYOWGFVSUMC-SYQHCUMBSA-N 2 0 272.389 -0.303 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000905505526 656360000 /nfs/dbraw/zinc/36/00/00/656360000.db2.gz FKMKHEAPYUHERD-RDBSUJKOSA-N 2 0 299.415 -0.474 20 0 CBADRP CCO[C@H](CNC[C@H](O)C[NH+]1CCCC1)C[NH+](C)C ZINC000905574856 656362408 /nfs/dbraw/zinc/36/24/08/656362408.db2.gz DSUXCAFXEBCOAQ-UONOGXRCSA-N 2 0 273.421 -0.001 20 0 CBADRP CCC[C@H](O)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000905585824 656362648 /nfs/dbraw/zinc/36/26/48/656362648.db2.gz BIKONYAPNNZQQT-UONOGXRCSA-N 2 0 273.421 -0.265 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000905698003 656365838 /nfs/dbraw/zinc/36/58/38/656365838.db2.gz DIYSKMXMEJPFIR-CHWSQXEVSA-N 2 0 271.405 -0.248 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000905698006 656366181 /nfs/dbraw/zinc/36/61/81/656366181.db2.gz DIYSKMXMEJPFIR-STQMWFEESA-N 2 0 271.405 -0.248 20 0 CBADRP O=c1ccn(CCC[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(=O)[nH]1 ZINC000905702928 656366556 /nfs/dbraw/zinc/36/65/56/656366556.db2.gz RRIBVYGOYHHEMJ-GFCCVEGCSA-N 2 0 296.371 -0.615 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CN1C(=O)N[C@]2(CCC[NH2+]C2)C1=O ZINC000905735885 656367238 /nfs/dbraw/zinc/36/72/38/656367238.db2.gz YGMRDKOPCDZMMM-NRUUGDAUSA-N 2 0 266.345 -0.484 20 0 CBADRP CC(C)(C[NH3+])NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906221894 656380133 /nfs/dbraw/zinc/38/01/33/656380133.db2.gz KBKXJEYRIWFAOS-UHFFFAOYSA-N 2 0 265.361 -0.185 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2CCN(C3CC3)CC2)C1 ZINC000906431549 656386919 /nfs/dbraw/zinc/38/69/19/656386919.db2.gz CJAQVGQLXQFCTD-UHFFFAOYSA-N 2 0 280.416 -0.214 20 0 CBADRP CN1C(=O)CCC[C@@H]1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000906580377 656392107 /nfs/dbraw/zinc/39/21/07/656392107.db2.gz NGAPCDAEAAWDRJ-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)CCNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906650658 656394997 /nfs/dbraw/zinc/39/49/97/656394997.db2.gz ISEOJBVKWMOUNS-UHFFFAOYSA-N 2 0 264.329 -0.238 20 0 CBADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC(N)=O ZINC000996522112 656417544 /nfs/dbraw/zinc/41/75/44/656417544.db2.gz VUZKMUXQSFYEHA-LLVKDONJSA-N 2 0 294.399 -0.606 20 0 CBADRP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(N)=O ZINC000996611673 656446549 /nfs/dbraw/zinc/44/65/49/656446549.db2.gz NOOJOQLXWAUELB-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C(N)=O ZINC000996602527 656447735 /nfs/dbraw/zinc/44/77/35/656447735.db2.gz JVUQXXWNHPBSHM-DMDPSCGWSA-N 2 0 296.415 -0.219 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996729351 656454072 /nfs/dbraw/zinc/45/40/72/656454072.db2.gz NRWMCLXLQVLYPY-GFCCVEGCSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]CC(N)=O)CC2)CC[N@@H+]1C ZINC000996920841 656460560 /nfs/dbraw/zinc/46/05/60/656460560.db2.gz GCFJSPPVKYKLQO-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]CCO)CC1 ZINC000997009931 656463221 /nfs/dbraw/zinc/46/32/21/656463221.db2.gz RGGCLMVWXSDNOX-AAEUAGOBSA-N 2 0 269.389 -0.243 20 0 CBADRP CC[C@@H](C(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC000997011176 656463278 /nfs/dbraw/zinc/46/32/78/656463278.db2.gz WZZCTTBFVDHRGC-JQWIXIFHSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000996996992 656463288 /nfs/dbraw/zinc/46/32/88/656463288.db2.gz BBYDBHVCHGSCNH-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+]1CCC(OCC(=O)N2CCC([NH2+]CCO)CC2)CC1 ZINC000997128549 656467364 /nfs/dbraw/zinc/46/73/64/656467364.db2.gz YYEPVZQHQNLLDY-UHFFFAOYSA-N 2 0 299.415 -0.330 20 0 CBADRP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC000997299610 656471948 /nfs/dbraw/zinc/47/19/48/656471948.db2.gz PYDUPEKIBMPOCR-WDEREUQCSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997299517 656472124 /nfs/dbraw/zinc/47/21/24/656472124.db2.gz OTVWKGGLTYDZEQ-NWDGAFQWSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000907441210 656507256 /nfs/dbraw/zinc/50/72/56/656507256.db2.gz VYXGGJWIYFVPAM-CQSZACIVSA-N 2 0 287.404 -0.736 20 0 CBADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC([NH2+]CC(N)=O)C1 ZINC000998995063 656601169 /nfs/dbraw/zinc/60/11/69/656601169.db2.gz OTARKLNMCYRVHY-MCIGGMRASA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC000999189572 656615126 /nfs/dbraw/zinc/61/51/26/656615126.db2.gz LOLGKJNWQCBMFV-GRYCIOLGSA-N 2 0 282.388 -0.608 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000999301880 656621466 /nfs/dbraw/zinc/62/14/66/656621466.db2.gz DMYZFHSLBGZDTH-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]([NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC000999698612 656645065 /nfs/dbraw/zinc/64/50/65/656645065.db2.gz QPYPNBBOJPYLFC-VOMCLLRMSA-N 2 0 294.399 -0.465 20 0 CBADRP Cn1ccnc1CCC(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000999777614 656649938 /nfs/dbraw/zinc/64/99/38/656649938.db2.gz SQJVYPJOQFCVJE-GFCCVEGCSA-N 2 0 280.372 -0.074 20 0 CBADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC000999832302 656655918 /nfs/dbraw/zinc/65/59/18/656655918.db2.gz CPLFEQYLXLFNSA-WXRRBKDZSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000908196718 656663992 /nfs/dbraw/zinc/66/39/92/656663992.db2.gz ZEWIIRLUZBAYSP-WCQYABFASA-N 2 0 257.378 -0.101 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000908200586 656666002 /nfs/dbraw/zinc/66/60/02/656666002.db2.gz JSJDWLLVTVFQOS-XQQFMLRXSA-N 2 0 269.389 -0.006 20 0 CBADRP C[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)C[NH+](C)C ZINC000908345624 656707581 /nfs/dbraw/zinc/70/75/81/656707581.db2.gz JMVLCAAHGJJIEO-WZRBSPASSA-N 2 0 257.378 -0.245 20 0 CBADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000908346426 656709729 /nfs/dbraw/zinc/70/97/29/656709729.db2.gz GYCMTEIAERWNLZ-YDHLFZDLSA-N 2 0 281.400 -0.004 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2CC[C@@H]3C[NH+](C)C[C@H]32)C1 ZINC000908346889 656711527 /nfs/dbraw/zinc/71/15/27/656711527.db2.gz IMNSCJNVTKAEHI-TZMCWYRMSA-N 2 0 280.416 -0.358 20 0 CBADRP C[NH+]1CCC(CC(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001000386253 656712625 /nfs/dbraw/zinc/71/26/25/656712625.db2.gz CFFZKQDNDGDIPS-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+](C)CCONC(=O)c1ccnn1CC[NH+](C)C ZINC000908527022 656739993 /nfs/dbraw/zinc/73/99/93/656739993.db2.gz DQQAMIXSKNMCTD-UHFFFAOYSA-N 2 0 269.349 -0.332 20 0 CBADRP C[NH+](C)CC1CN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000908532626 656743495 /nfs/dbraw/zinc/74/34/95/656743495.db2.gz CAYUDFAGNXBHEZ-ZDUSSCGKSA-N 2 0 267.373 -0.273 20 0 CBADRP NC(=O)C[NH2+][C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001000704907 656759384 /nfs/dbraw/zinc/75/93/84/656759384.db2.gz ZYYLJBKAJVTBJB-NSHDSACASA-N 2 0 280.372 -0.852 20 0 CBADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000909273987 656804334 /nfs/dbraw/zinc/80/43/34/656804334.db2.gz YQYINAMPTKBJTM-OAHLLOKOSA-N 2 0 299.415 -0.594 20 0 CBADRP CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001002476090 656835600 /nfs/dbraw/zinc/83/56/00/656835600.db2.gz PPARLLIWVNOIQO-AAEUAGOBSA-N 2 0 296.415 -0.204 20 0 CBADRP O=C(NC1CC[NH+](CCO)CC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001002875612 656842606 /nfs/dbraw/zinc/84/26/06/656842606.db2.gz NTZYPJUSTHYFLD-UONOGXRCSA-N 2 0 297.399 -0.578 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCO)CC2)CC[N@@H+]1C ZINC001002861415 656842808 /nfs/dbraw/zinc/84/28/08/656842808.db2.gz XTFJNIVIZXQGJQ-DGCLKSJQSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004147040 656881508 /nfs/dbraw/zinc/88/15/08/656881508.db2.gz CJRQFLHVZWIPAP-YPMHNXCESA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001004147464 656881571 /nfs/dbraw/zinc/88/15/71/656881571.db2.gz IIVLOHYTVOMRGW-ZDUSSCGKSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CCN(CC(N)=O)CC1 ZINC001004207723 656882770 /nfs/dbraw/zinc/88/27/70/656882770.db2.gz IREYKEIPGQAQPP-ZDUSSCGKSA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH+](C)CC1(CNC(=O)C(=O)NCC2([NH3+])CC2)CCCC1 ZINC000910949436 656912353 /nfs/dbraw/zinc/91/23/53/656912353.db2.gz JWDUKHAPIGAILF-UHFFFAOYSA-N 2 0 296.415 -0.168 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000910963536 656913152 /nfs/dbraw/zinc/91/31/52/656913152.db2.gz LAVPCQVQQPFGIK-GFCCVEGCSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000910975816 656919189 /nfs/dbraw/zinc/91/91/89/656919189.db2.gz GZVYDYDEIJCNMG-SRVKXCTJSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH3+] ZINC000911006124 656928310 /nfs/dbraw/zinc/92/83/10/656928310.db2.gz CVAJFGNRAJLWPB-WRWGMCAJSA-N 2 0 282.388 -0.609 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC[N@@H+]1C ZINC000911006171 656928496 /nfs/dbraw/zinc/92/84/96/656928496.db2.gz DJFKKEPOVFSACI-UTUOFQBUSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000911009593 656928800 /nfs/dbraw/zinc/92/88/00/656928800.db2.gz SUIWTBMGUASAAQ-WRWGMCAJSA-N 2 0 282.388 -0.691 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000911007138 656929383 /nfs/dbraw/zinc/92/93/83/656929383.db2.gz HKYYNOFWUNRICE-FDYHWXHSSA-N 2 0 296.415 -0.362 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)C[C@H]1[NH3+] ZINC000911015593 656931530 /nfs/dbraw/zinc/93/15/30/656931530.db2.gz QKZFURZNFJMOSP-JHJVBQTASA-N 2 0 296.415 -0.360 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911016111 656931671 /nfs/dbraw/zinc/93/16/71/656931671.db2.gz VQHHFTQMEVWAPD-LLVKDONJSA-N 2 0 282.388 -0.558 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000911022342 656933400 /nfs/dbraw/zinc/93/34/00/656933400.db2.gz KUWHGZWJQQWXMT-UHFFFAOYSA-N 2 0 282.388 -0.414 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CC1 ZINC000911058476 656937789 /nfs/dbraw/zinc/93/77/89/656937789.db2.gz AACMKTHAGJJMHD-MVWJERBFSA-N 2 0 280.372 -0.794 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911072349 656939581 /nfs/dbraw/zinc/93/95/81/656939581.db2.gz JLAVCPVCRDOAHD-GMTAPVOTSA-N 2 0 270.377 -0.752 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000911147756 656962730 /nfs/dbraw/zinc/96/27/30/656962730.db2.gz SNCIVOOYXUQZDC-FPQZTECRSA-N 2 0 294.399 -0.691 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C[C@H]1[NH3+] ZINC000911147628 656962884 /nfs/dbraw/zinc/96/28/84/656962884.db2.gz RGSABBIIHNKLOR-MPPDQPJWSA-N 2 0 294.399 -0.467 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])CC2)C[N@@H+]1C1CC1 ZINC000911148030 656964130 /nfs/dbraw/zinc/96/41/30/656964130.db2.gz UMOLXSOHIPOOIP-UWVGGRQHSA-N 2 0 280.372 -0.665 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911160312 656966378 /nfs/dbraw/zinc/96/63/78/656966378.db2.gz AZJQPVRYPOCWLD-AVGNSLFASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911160355 656967076 /nfs/dbraw/zinc/96/70/76/656967076.db2.gz BVGBHFYBNDOFCV-AVGNSLFASA-N 2 0 296.415 -0.312 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911187302 656975579 /nfs/dbraw/zinc/97/55/79/656975579.db2.gz OBTRHMYIUIEMAD-UPJWGTAASA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000911202445 656983756 /nfs/dbraw/zinc/98/37/56/656983756.db2.gz VKYYZXLNFAOBMH-GRYCIOLGSA-N 2 0 298.431 -0.197 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)[N@H+](C)C1CC1 ZINC000911207460 656984546 /nfs/dbraw/zinc/98/45/46/656984546.db2.gz UTWVGMFKAQBAPQ-JFGNBEQYSA-N 2 0 282.388 -0.691 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000911205345 656985543 /nfs/dbraw/zinc/98/55/43/656985543.db2.gz JTNVVEPNWQXHJL-TUAOUCFPSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000911214438 656986745 /nfs/dbraw/zinc/98/67/45/656986745.db2.gz FBPPAIFQESVKAR-FVCCEPFGSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H]1[NH3+] ZINC000911214498 656987616 /nfs/dbraw/zinc/98/76/16/656987616.db2.gz GHDQRLWEJVQWBG-FDYHWXHSSA-N 2 0 294.399 -0.465 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1[NH3+] ZINC000911216394 656987647 /nfs/dbraw/zinc/98/76/47/656987647.db2.gz ZCXVXCQOCNUWBL-NQBHXWOUSA-N 2 0 294.399 -0.608 20 0 CBADRP C[C@H](CCNC(=O)C(=O)NCC1([NH3+])CC1)[NH+]1CCCCC1 ZINC000911242808 656995038 /nfs/dbraw/zinc/99/50/38/656995038.db2.gz JCCXMONQTVXQRY-GFCCVEGCSA-N 2 0 296.415 -0.025 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911245113 656996077 /nfs/dbraw/zinc/99/60/77/656996077.db2.gz WEWBDFGMZRFVGG-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NCCC[NH3+])C1 ZINC000911266768 657001765 /nfs/dbraw/zinc/00/17/65/657001765.db2.gz KGRGFUOELAHECE-UHFFFAOYSA-N 2 0 270.377 -0.701 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000911267820 657003056 /nfs/dbraw/zinc/00/30/56/657003056.db2.gz ABCKFZXLVQOFQA-ZDEQEGDKSA-N 2 0 294.399 -0.417 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000911267818 657003114 /nfs/dbraw/zinc/00/31/14/657003114.db2.gz ABCKFZXLVQOFQA-LPWJVIDDSA-N 2 0 294.399 -0.417 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CC1)C[NH+]1CCCC1 ZINC000911269869 657004128 /nfs/dbraw/zinc/00/41/28/657004128.db2.gz PHWAVFILDOJKFK-NSHDSACASA-N 2 0 282.388 -0.558 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NCC2([NH3+])CC2)CCCCC1 ZINC000911269098 657004441 /nfs/dbraw/zinc/00/44/41/657004441.db2.gz WTONVNDLDKGIHA-UHFFFAOYSA-N 2 0 296.415 -0.025 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000911275607 657006720 /nfs/dbraw/zinc/00/67/20/657006720.db2.gz YDKSXOZENQQBFX-GFCCVEGCSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911279046 657007453 /nfs/dbraw/zinc/00/74/53/657007453.db2.gz AVHSNIIRNSGYEW-SNVBAGLBSA-N 2 0 270.377 -0.702 20 0 CBADRP CNC(=O)CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001007370338 657007999 /nfs/dbraw/zinc/00/79/99/657007999.db2.gz ZFTIYVBBJJXQCI-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911282190 657008386 /nfs/dbraw/zinc/00/83/86/657008386.db2.gz NSMNULMZFCTVDA-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000911283582 657009902 /nfs/dbraw/zinc/00/99/02/657009902.db2.gz WPGAKTFDJGBBOF-UHFFFAOYSA-N 2 0 293.371 -0.511 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000911285090 657011143 /nfs/dbraw/zinc/01/11/43/657011143.db2.gz VTEABPXBCUTVEB-UHFFFAOYSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911291704 657012195 /nfs/dbraw/zinc/01/21/95/657012195.db2.gz MYIAQJMJOPFKRP-SLEUVZQESA-N 2 0 296.415 -0.504 20 0 CBADRP CC(C)C[C@@H]1CN(C)CCN1C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000911296265 657012895 /nfs/dbraw/zinc/01/28/95/657012895.db2.gz KYTRTXUTRYZQTC-NWDGAFQWSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911293989 657013320 /nfs/dbraw/zinc/01/33/20/657013320.db2.gz UJCTVGMHCSRXIN-COPLHBTASA-N 2 0 282.388 -0.893 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000911324526 657020772 /nfs/dbraw/zinc/02/07/72/657020772.db2.gz DZOXABUYEKXTIG-NWDGAFQWSA-N 2 0 294.399 -0.273 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911370108 657028699 /nfs/dbraw/zinc/02/86/99/657028699.db2.gz PAFIRQTVANDNIK-IJLUTSLNSA-N 2 0 282.388 -0.689 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911373792 657029678 /nfs/dbraw/zinc/02/96/78/657029678.db2.gz KJTGNZDXXDGPLD-VXGBXAGGSA-N 2 0 284.404 -0.491 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911370383 657029772 /nfs/dbraw/zinc/02/97/72/657029772.db2.gz YMIDCSFLBFCHSP-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000911370398 657030345 /nfs/dbraw/zinc/03/03/45/657030345.db2.gz YYABVBOJRXNVRF-IJLUTSLNSA-N 2 0 282.388 -0.737 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911381132 657032862 /nfs/dbraw/zinc/03/28/62/657032862.db2.gz ROJVRHPAXREGQJ-AGIUHOORSA-N 2 0 296.415 -0.441 20 0 CBADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911502392 657057306 /nfs/dbraw/zinc/05/73/06/657057306.db2.gz HBGRPXQYAUFSGB-UHFFFAOYSA-N 2 0 296.415 -0.073 20 0 CBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911503617 657057315 /nfs/dbraw/zinc/05/73/15/657057315.db2.gz PNLKPSJFEQQFIO-UHFFFAOYSA-N 2 0 282.388 -0.462 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911503636 657057347 /nfs/dbraw/zinc/05/73/47/657057347.db2.gz CKIXPROLDRKIRS-LLVKDONJSA-N 2 0 282.388 -0.463 20 0 CBADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911506245 657059841 /nfs/dbraw/zinc/05/98/41/657059841.db2.gz XNBSDVRNQBUOFW-UHFFFAOYSA-N 2 0 294.399 -0.319 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCC3([NH3+])CC3)CC[C@@H]21 ZINC000911506598 657060742 /nfs/dbraw/zinc/06/07/42/657060742.db2.gz PMVOONGPRXKGCR-QWRGUYRKSA-N 2 0 280.372 -0.854 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911520883 657065896 /nfs/dbraw/zinc/06/58/96/657065896.db2.gz QQFWPKVKWNJREG-LLVKDONJSA-N 2 0 284.404 -0.489 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911528545 657066968 /nfs/dbraw/zinc/06/69/68/657066968.db2.gz PTDKFHIPXHUWCR-GFCCVEGCSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911527516 657067097 /nfs/dbraw/zinc/06/70/97/657067097.db2.gz GPTGKNJFALWHMZ-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000911528771 657068575 /nfs/dbraw/zinc/06/85/75/657068575.db2.gz RJZWAQMRSHSLBG-QWRGUYRKSA-N 2 0 282.388 -0.689 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000911531315 657068714 /nfs/dbraw/zinc/06/87/14/657068714.db2.gz GYPHICIGGIVCDL-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911533127 657069557 /nfs/dbraw/zinc/06/95/57/657069557.db2.gz NEQGPOKKIKXLOJ-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(C)C ZINC000911536895 657071399 /nfs/dbraw/zinc/07/13/99/657071399.db2.gz CYEMYWUQCFELGU-YNEHKIRRSA-N 2 0 296.415 -0.158 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000911551438 657075968 /nfs/dbraw/zinc/07/59/68/657075968.db2.gz LQUUQJYIJAUGOD-MROQNXINSA-N 2 0 294.399 -0.452 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000911557907 657076502 /nfs/dbraw/zinc/07/65/02/657076502.db2.gz SRDIXLRCHQGZCX-AVGNSLFASA-N 2 0 294.399 -0.463 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911557248 657076607 /nfs/dbraw/zinc/07/66/07/657076607.db2.gz NEIWFISTPNVXFN-AVGNSLFASA-N 2 0 296.415 -0.360 20 0 CBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911556756 657077002 /nfs/dbraw/zinc/07/70/02/657077002.db2.gz LSTRFUSQTPZNQP-JOCQHMNTSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C1 ZINC000911564977 657080184 /nfs/dbraw/zinc/08/01/84/657080184.db2.gz XMVCSPLQAWBRSL-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)C12CCC(CC1)[NH2+]2 ZINC000911628504 657089111 /nfs/dbraw/zinc/08/91/11/657089111.db2.gz AAENJOKZQXSQKF-UHFFFAOYSA-N 2 0 266.389 -0.318 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CCC[NH2+]CC2)C1=O ZINC000911655814 657096800 /nfs/dbraw/zinc/09/68/00/657096800.db2.gz IVLIHSMBMGQUNX-NSHDSACASA-N 2 0 268.361 -0.994 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000911659557 657098063 /nfs/dbraw/zinc/09/80/63/657098063.db2.gz BZZSUDNPKKIHNS-PWSUYJOCSA-N 2 0 270.377 -0.704 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC000911657456 657098245 /nfs/dbraw/zinc/09/82/45/657098245.db2.gz UMLCVNFHWAOUJP-MNOVXSKESA-N 2 0 268.361 -0.996 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)CCNC(=O)[C@H]([NH3+])C(C)C)C1 ZINC000911659555 657099157 /nfs/dbraw/zinc/09/91/57/657099157.db2.gz BZZSUDNPKKIHNS-CMPLNLGQSA-N 2 0 270.377 -0.704 20 0 CBADRP [NH3+]CCc1cnc2c(C(=O)N[C@H]3CCC[NH2+]C3)cnn2c1 ZINC000911673667 657101160 /nfs/dbraw/zinc/10/11/60/657101160.db2.gz NZKBNXDCERAYFN-NSHDSACASA-N 2 0 288.355 -0.288 20 0 CBADRP C[NH2+]CCCNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911677086 657101301 /nfs/dbraw/zinc/10/13/01/657101301.db2.gz LSMMMQRXIRPOSJ-LBPRGKRZSA-N 2 0 254.334 -0.389 20 0 CBADRP [NH3+]CCc1cnc2c(C(=O)N[C@@H]3CCC[NH2+]C3)cnn2c1 ZINC000911673666 657101853 /nfs/dbraw/zinc/10/18/53/657101853.db2.gz NZKBNXDCERAYFN-LLVKDONJSA-N 2 0 288.355 -0.288 20 0 CBADRP CC[NH2+]CCCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC000911688947 657102924 /nfs/dbraw/zinc/10/29/24/657102924.db2.gz VYFHEDSMGQBMJS-NSHDSACASA-N 2 0 270.377 -0.701 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000911695626 657104480 /nfs/dbraw/zinc/10/44/80/657104480.db2.gz OLNJUQQKPVAQCJ-CYBMUJFWSA-N 2 0 268.405 -0.119 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911696228 657105964 /nfs/dbraw/zinc/10/59/64/657105964.db2.gz SZKSKTGTHGDSDR-AAEUAGOBSA-N 2 0 252.362 -0.993 20 0 CBADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911702528 657108009 /nfs/dbraw/zinc/10/80/09/657108009.db2.gz MNBSQGLKCRCQTJ-WDEREUQCSA-N 2 0 268.361 -0.948 20 0 CBADRP CC(C)C[C@](C)(C[NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911702955 657109016 /nfs/dbraw/zinc/10/90/16/657109016.db2.gz SRPMFEAARXMWNT-CQSZACIVSA-N 2 0 284.404 -0.455 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NC[C@H]1CCC[NH2+]C1 ZINC000911704918 657110643 /nfs/dbraw/zinc/11/06/43/657110643.db2.gz YOCODACLJFOSRC-AAEUAGOBSA-N 2 0 255.362 -0.393 20 0 CBADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911702710 657110855 /nfs/dbraw/zinc/11/08/55/657110855.db2.gz PCBJRUBFYPRDKU-GHMZBOCLSA-N 2 0 270.377 -0.702 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC000911712420 657112120 /nfs/dbraw/zinc/11/21/20/657112120.db2.gz AZGZPERIAWNWCX-SCRDCRAPSA-N 2 0 267.373 -0.190 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000911718704 657115233 /nfs/dbraw/zinc/11/52/33/657115233.db2.gz JRIULXHLRTVVSP-BZPMIXESSA-N 2 0 298.431 -0.020 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)[C@@H]1CCC[NH2+]C1 ZINC000911725362 657115369 /nfs/dbraw/zinc/11/53/69/657115369.db2.gz KSUGMJPRPBRNNM-XQQFMLRXSA-N 2 0 296.415 -0.312 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)C1 ZINC000911729147 657117213 /nfs/dbraw/zinc/11/72/13/657117213.db2.gz BXYZIDZEUJWAAR-ZOWXZIJZSA-N 2 0 294.399 -0.558 20 0 CBADRP [NH3+]C[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC000911733717 657118907 /nfs/dbraw/zinc/11/89/07/657118907.db2.gz BKJDJRIXDWWXIO-WZRBSPASSA-N 2 0 253.346 -0.580 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NC[C@H]1CCC[NH2+]1 ZINC000911751772 657120944 /nfs/dbraw/zinc/12/09/44/657120944.db2.gz OIXRLZNSIRQHLW-PWSUYJOCSA-N 2 0 270.377 -0.656 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NC[C@H]1CCC[NH2+]1 ZINC000911751773 657121305 /nfs/dbraw/zinc/12/13/05/657121305.db2.gz OIXRLZNSIRQHLW-ZYHUDNBSSA-N 2 0 270.377 -0.656 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)NCC[C@H]2CC[NH2+]C2)C1=O ZINC000911767991 657124458 /nfs/dbraw/zinc/12/44/58/657124458.db2.gz NUIZVASTKNJFHC-NEPJUHHUSA-N 2 0 282.388 -0.701 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911766595 657124511 /nfs/dbraw/zinc/12/45/11/657124511.db2.gz GFUDHWHKUATCOX-AAEUAGOBSA-N 2 0 284.404 -0.408 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)CC(C)(C)C[NH3+] ZINC000911774014 657125276 /nfs/dbraw/zinc/12/52/76/657125276.db2.gz FSLVGKIIGOJRJB-UHFFFAOYSA-N 2 0 256.394 -0.275 20 0 CBADRP CN(C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000911781828 657129130 /nfs/dbraw/zinc/12/91/30/657129130.db2.gz BOCVFHQKZAZZRC-GXFFZTMASA-N 2 0 266.345 -0.295 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC1 ZINC000911787122 657129256 /nfs/dbraw/zinc/12/92/56/657129256.db2.gz NPVBAMJFRSWTQH-RISCZKNCSA-N 2 0 267.373 -0.177 20 0 CBADRP CN(C(=O)COC1CC[NH+](C)CC1)[C@@H]1CC[NH2+]C1 ZINC000911789790 657130296 /nfs/dbraw/zinc/13/02/96/657130296.db2.gz VWGSLVFCXAATNJ-LLVKDONJSA-N 2 0 255.362 -0.083 20 0 CBADRP [NH3+]CC1(NC(=O)C[C@@]2(O)CCC[NH2+]C2)CCCC1 ZINC000911799877 657132379 /nfs/dbraw/zinc/13/23/79/657132379.db2.gz JYOPEKWTFGJLPV-ZDUSSCGKSA-N 2 0 255.362 -0.121 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CC[NH2+][C@H](C)C1 ZINC000911802654 657133614 /nfs/dbraw/zinc/13/36/14/657133614.db2.gz KNSPKIMRXLZZQL-ZYHUDNBSSA-N 2 0 270.377 -0.704 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911813515 657138530 /nfs/dbraw/zinc/13/85/30/657138530.db2.gz OCUSTORPPDKMQW-DGCLKSJQSA-N 2 0 257.378 -0.019 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000911813517 657138941 /nfs/dbraw/zinc/13/89/41/657138941.db2.gz OCUSTORPPDKMQW-YPMHNXCESA-N 2 0 257.378 -0.019 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000911829740 657141149 /nfs/dbraw/zinc/14/11/49/657141149.db2.gz UTFXTRYPVYIDKZ-KYEXWDHISA-N 2 0 281.400 -0.148 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911830595 657142007 /nfs/dbraw/zinc/14/20/07/657142007.db2.gz PABWPWUZWNYACP-WZRBSPASSA-N 2 0 255.362 -0.288 20 0 CBADRP [NH3+]C[C@H](NC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2)C1CC1 ZINC000911833994 657143175 /nfs/dbraw/zinc/14/31/75/657143175.db2.gz OCVRSZNCZMPDAK-AAEUAGOBSA-N 2 0 266.345 -0.262 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911845695 657146572 /nfs/dbraw/zinc/14/65/72/657146572.db2.gz KMCDKGXMFUFCIP-MFKMUULPSA-N 2 0 266.345 -0.165 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](O)C[NH2+]1 ZINC000911853299 657146888 /nfs/dbraw/zinc/14/68/88/657146888.db2.gz ZTCCDPSRBJFSTM-XZUYRWCXSA-N 2 0 253.346 -0.548 20 0 CBADRP C[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](O)C[NH2+]1 ZINC000911853296 657147043 /nfs/dbraw/zinc/14/70/43/657147043.db2.gz ZTCCDPSRBJFSTM-LSCVPOLPSA-N 2 0 253.346 -0.548 20 0 CBADRP CC[NH2+]CC1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC000911861289 657148833 /nfs/dbraw/zinc/14/88/33/657148833.db2.gz HTXSJWZPYMOVME-OCCSQVGLSA-N 2 0 269.389 -0.053 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC000911868263 657150026 /nfs/dbraw/zinc/15/00/26/657150026.db2.gz PLKNITBTTGUNNZ-NSHDSACASA-N 2 0 284.404 -0.373 20 0 CBADRP CSCC[C@H]([NH3+])CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911877698 657153002 /nfs/dbraw/zinc/15/30/02/657153002.db2.gz CFFIPQXLFQYFAO-WDEREUQCSA-N 2 0 274.434 -0.442 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000911880026 657154791 /nfs/dbraw/zinc/15/47/91/657154791.db2.gz JULJATJYIOAYPL-BBBLOLIVSA-N 2 0 261.391 -0.359 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)CCO1 ZINC000911881096 657155356 /nfs/dbraw/zinc/15/53/56/657155356.db2.gz CKXYGZZYBWEBTH-ZPFDUUQYSA-N 2 0 253.346 -0.439 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCO1 ZINC000911881272 657155414 /nfs/dbraw/zinc/15/54/14/657155414.db2.gz FGRDESAQPCSCLT-IYKVGLELSA-N 2 0 253.346 -0.299 20 0 CBADRP CN1CCN(C(=O)C(F)(F)C2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000911880735 657155567 /nfs/dbraw/zinc/15/55/67/657155567.db2.gz XSRXTINPZZXCOO-NSHDSACASA-N 2 0 290.358 -0.277 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C2=CCC[NH2+]CC2)CCO1 ZINC000911884044 657156641 /nfs/dbraw/zinc/15/66/41/657156641.db2.gz OZZBNZSYALAEMZ-CMPLNLGQSA-N 2 0 253.346 -0.129 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCO1 ZINC000911883279 657156717 /nfs/dbraw/zinc/15/67/17/657156717.db2.gz YHQQKARHLNUEHZ-YPMHNXCESA-N 2 0 285.388 -0.328 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000911884518 657156839 /nfs/dbraw/zinc/15/68/39/657156839.db2.gz RFBZKUGXEXUMEA-DDHJBXDOSA-N 2 0 255.362 -0.193 20 0 CBADRP C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000912053683 657187481 /nfs/dbraw/zinc/18/74/81/657187481.db2.gz CYJCADLGFDJISZ-GUTXKFCHSA-N 2 0 297.399 -0.889 20 0 CBADRP CN1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)[C@@H](CO)C1 ZINC000912734123 657317420 /nfs/dbraw/zinc/31/74/20/657317420.db2.gz DQONFTKBJDTJMX-CQSZACIVSA-N 2 0 297.399 -0.768 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@@H]([NH+]3CCC3)C2)CC1 ZINC000912916229 657359254 /nfs/dbraw/zinc/35/92/54/657359254.db2.gz VNSQRGVPUMZTPV-CQSZACIVSA-N 2 0 280.416 -0.070 20 0 CBADRP O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001015322555 657430441 /nfs/dbraw/zinc/43/04/41/657430441.db2.gz CRIGDYYAARQIJZ-SBEAFCBVSA-N 2 0 295.383 -0.968 20 0 CBADRP O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001015322553 657431601 /nfs/dbraw/zinc/43/16/01/657431601.db2.gz CRIGDYYAARQIJZ-FMPXUHTOSA-N 2 0 295.383 -0.968 20 0 CBADRP CN1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000913334579 657441304 /nfs/dbraw/zinc/44/13/04/657441304.db2.gz NXOHCGYJHBWGDO-DMDPSCGWSA-N 2 0 255.362 -0.348 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001015704640 657524365 /nfs/dbraw/zinc/52/43/65/657524365.db2.gz BODONGNKNHZNQB-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP O=C(NC12CC[NH+](CC1)C2)C1C[NH+]([C@H]2CCOC2)C1 ZINC000913636861 657573248 /nfs/dbraw/zinc/57/32/48/657573248.db2.gz WYUUPRHLYRJTLE-LBPRGKRZSA-N 2 0 265.357 -0.329 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001015997458 657627698 /nfs/dbraw/zinc/62/76/98/657627698.db2.gz CNJRUUVFOWUZJA-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001016248621 657671455 /nfs/dbraw/zinc/67/14/55/657671455.db2.gz CFCGTRKGSIRNQJ-VXGBXAGGSA-N 2 0 255.362 -0.489 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001016543643 657718424 /nfs/dbraw/zinc/71/84/24/657718424.db2.gz PDVPHEXHVJIIQT-RYUDHWBXSA-N 2 0 294.399 -0.463 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CCO)CC3)C1 ZINC001016968817 657742785 /nfs/dbraw/zinc/74/27/85/657742785.db2.gz HSISBEPJELFIPK-CHWSQXEVSA-N 2 0 281.400 -0.099 20 0 CBADRP C[C@@H]1CN(CCNC(=O)NC[C@H]2CC[N@@H+]2C)CCO1 ZINC000915826962 657751776 /nfs/dbraw/zinc/75/17/76/657751776.db2.gz GCDKOEFWOYOKAJ-VXGBXAGGSA-N 2 0 270.377 -0.290 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000916841517 657787773 /nfs/dbraw/zinc/78/77/73/657787773.db2.gz GAHLLUYDGFFLFM-FRRDWIJNSA-N 2 0 282.388 -0.147 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001018962424 657854728 /nfs/dbraw/zinc/85/47/28/657854728.db2.gz BTHRSYOHZHITQW-MNOVXSKESA-N 2 0 282.388 -0.465 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001018961353 657855128 /nfs/dbraw/zinc/85/51/28/657855128.db2.gz AHZPODLVPPATCD-STQMWFEESA-N 2 0 296.415 -0.360 20 0 CBADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001018962939 657855910 /nfs/dbraw/zinc/85/59/10/657855910.db2.gz QXWZDSXWUSRETF-NWDGAFQWSA-N 2 0 296.415 -0.075 20 0 CBADRP C[N@H+](CC(=O)N1CC[C@H]([NH2+]CCO)C1)C1CCC1 ZINC001018971854 657855945 /nfs/dbraw/zinc/85/59/45/657855945.db2.gz WYNKQUGPZRZJJK-NSHDSACASA-N 2 0 255.362 -0.347 20 0 CBADRP C[NH+](C)[C@H](C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1)C1CC1 ZINC001018966764 657856054 /nfs/dbraw/zinc/85/60/54/657856054.db2.gz ROSRRQJIMZXUEX-JQWIXIFHSA-N 2 0 268.361 -0.998 20 0 CBADRP CC(C)(C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001019230145 657873196 /nfs/dbraw/zinc/87/31/96/657873196.db2.gz SEWQZSHTMJADBS-NSHDSACASA-N 2 0 282.388 -0.463 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)NC[C@@H]1CC[NH+]1C ZINC000920420771 657874694 /nfs/dbraw/zinc/87/46/94/657874694.db2.gz AQAQQTXYBUPRQI-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C)C[NH+]1CCN(C)CC1 ZINC000920453110 657876489 /nfs/dbraw/zinc/87/64/89/657876489.db2.gz XRFGZMUGOHJROK-KBPBESRZSA-N 2 0 297.447 -0.127 20 0 CBADRP C[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001019322835 657886508 /nfs/dbraw/zinc/88/65/08/657886508.db2.gz JZIORMAFSYBEAL-STQMWFEESA-N 2 0 294.399 -0.593 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1)[NH+](C)C ZINC001019394834 657893149 /nfs/dbraw/zinc/89/31/49/657893149.db2.gz ODLZMICSSPVUSO-STQMWFEESA-N 2 0 294.403 -0.191 20 0 CBADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1)C(N)=O ZINC001019394655 657893226 /nfs/dbraw/zinc/89/32/26/657893226.db2.gz LVSQURNTYUWZGA-TUAOUCFPSA-N 2 0 284.404 -0.219 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019468072 657897793 /nfs/dbraw/zinc/89/77/93/657897793.db2.gz FOWQQSYCNPOLTJ-QWHCGFSZSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+]1CCC(CC(=O)N2CC[C@H]([NH2+]CCO)C2)CC1 ZINC001019469792 657898271 /nfs/dbraw/zinc/89/82/71/657898271.db2.gz OFWJICBYJWWEAH-ZDUSSCGKSA-N 2 0 269.389 -0.099 20 0 CBADRP O=C(N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001019659891 657926866 /nfs/dbraw/zinc/92/68/66/657926866.db2.gz QKAVQZHFWJLIMJ-NWDGAFQWSA-N 2 0 292.383 -0.839 20 0 CBADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001019774677 657938542 /nfs/dbraw/zinc/93/85/42/657938542.db2.gz DAADZVHLRSAYIC-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001020026257 657986163 /nfs/dbraw/zinc/98/61/63/657986163.db2.gz MRFUCULHEOQVPX-LPWJVIDDSA-N 2 0 294.399 -0.404 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001020025578 657986333 /nfs/dbraw/zinc/98/63/33/657986333.db2.gz UIFYZZZUFQBZQB-AVGNSLFASA-N 2 0 294.399 -0.450 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001020026110 657986951 /nfs/dbraw/zinc/98/69/51/657986951.db2.gz HMPQZVSCATUYRI-DDHJBXDOSA-N 2 0 280.372 -0.794 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001020026256 657987094 /nfs/dbraw/zinc/98/70/94/657987094.db2.gz MRFUCULHEOQVPX-FDYHWXHSSA-N 2 0 294.399 -0.404 20 0 CBADRP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001020026173 657987690 /nfs/dbraw/zinc/98/76/90/657987690.db2.gz JOBLXINGKZYVOS-NQBHXWOUSA-N 2 0 292.387 -0.354 20 0 CBADRP Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001020026543 657988755 /nfs/dbraw/zinc/98/87/55/657988755.db2.gz XAHLKCSCZXKUGG-NQBHXWOUSA-N 2 0 292.387 -0.354 20 0 CBADRP Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)[nH]1 ZINC001020028511 657992119 /nfs/dbraw/zinc/99/21/19/657992119.db2.gz BDZOFGSZWNFJPA-SRVKXCTJSA-N 2 0 292.387 -0.056 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000922164570 658014873 /nfs/dbraw/zinc/01/48/73/658014873.db2.gz WDXBNQQWAGSTSC-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001020143750 658017040 /nfs/dbraw/zinc/01/70/40/658017040.db2.gz CUIBSZQGWVKMAL-FDYHWXHSSA-N 2 0 296.415 -0.030 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001020143751 658018357 /nfs/dbraw/zinc/01/83/57/658018357.db2.gz CUIBSZQGWVKMAL-LPWJVIDDSA-N 2 0 296.415 -0.030 20 0 CBADRP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1)[NH+]1CCCCC1 ZINC001020151178 658019917 /nfs/dbraw/zinc/01/99/17/658019917.db2.gz OFMHCTVRHAEBTF-HAQNSBGRSA-N 2 0 296.415 -0.027 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001020161520 658020495 /nfs/dbraw/zinc/02/04/95/658020495.db2.gz GLXBMCGFIJFVFO-IJLUTSLNSA-N 2 0 280.372 -0.950 20 0 CBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)n1 ZINC001020165088 658022923 /nfs/dbraw/zinc/02/29/23/658022923.db2.gz JEQDVPVTQBADTL-HAQNSBGRSA-N 2 0 295.387 -0.713 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)C(N)=O ZINC001020349138 658042379 /nfs/dbraw/zinc/04/23/79/658042379.db2.gz YONNVGAWLRFKBH-IJLUTSLNSA-N 2 0 294.399 -0.275 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001020541724 658071608 /nfs/dbraw/zinc/07/16/08/658071608.db2.gz LUFUIQCOCXPVOM-DLOVCJGASA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001020588872 658076355 /nfs/dbraw/zinc/07/63/55/658076355.db2.gz OZQFXYJTPGIYSB-RNJOBUHISA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020586419 658076719 /nfs/dbraw/zinc/07/67/19/658076719.db2.gz NYHUSIFMLVDZPA-DCAQKATOSA-N 2 0 268.361 -0.807 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020590306 658076838 /nfs/dbraw/zinc/07/68/38/658076838.db2.gz RRFGRQKQTAFYMZ-FIQHERPVSA-N 2 0 255.362 -0.587 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020589021 658077181 /nfs/dbraw/zinc/07/71/81/658077181.db2.gz UUUDSHYKILVXOI-GMTAPVOTSA-N 2 0 268.361 -0.950 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1)C(N)=O ZINC001020590101 658077252 /nfs/dbraw/zinc/07/72/52/658077252.db2.gz MBXMKESTYLXVPD-LPWJVIDDSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001020586787 658077278 /nfs/dbraw/zinc/07/72/78/658077278.db2.gz ZDWGBZMWXGMFFY-CYDGBPFRSA-N 2 0 294.399 -0.404 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001020591716 658078100 /nfs/dbraw/zinc/07/81/00/658078100.db2.gz SVNQWWZJZLPOSP-HAQNSBGRSA-N 2 0 269.389 -0.053 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001020928340 658118964 /nfs/dbraw/zinc/11/89/64/658118964.db2.gz CMZLSADQFOBLER-ZDEQEGDKSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H]1CN(CCO)CCN1C(=O)NCC1([NH+](C)C)CC1 ZINC000922989788 658123078 /nfs/dbraw/zinc/12/30/78/658123078.db2.gz AIXXMMLLELJIPD-GFCCVEGCSA-N 2 0 284.404 -0.211 20 0 CBADRP C[NH+](C)C1(CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000923004041 658127904 /nfs/dbraw/zinc/12/79/04/658127904.db2.gz ZKMUQBSODYXXEU-CYBMUJFWSA-N 2 0 270.377 -0.554 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001021047603 658132882 /nfs/dbraw/zinc/13/28/82/658132882.db2.gz JCNCGSLAIMMCNO-BJDJZHNGSA-N 2 0 280.372 -0.937 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001021046054 658134252 /nfs/dbraw/zinc/13/42/52/658134252.db2.gz MSERBBFUTJBEBA-IJLUTSLNSA-N 2 0 282.388 -0.417 20 0 CBADRP CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1=O ZINC001021045293 658135992 /nfs/dbraw/zinc/13/59/92/658135992.db2.gz ZVURNLRDAYIRSJ-LPWJVIDDSA-N 2 0 294.399 -0.594 20 0 CBADRP Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001021047753 658137187 /nfs/dbraw/zinc/13/71/87/658137187.db2.gz NLCVJUHIIOVYQO-IJLUTSLNSA-N 2 0 292.387 -0.496 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001021051023 658143623 /nfs/dbraw/zinc/14/36/23/658143623.db2.gz BJGXAWRGJKFJBM-JHJVBQTASA-N 2 0 294.399 -0.402 20 0 CBADRP CNC(=O)[C@H]1CCCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303456 658198526 /nfs/dbraw/zinc/19/85/26/658198526.db2.gz NFOOXKWWDGYYJK-VXGBXAGGSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923313957 658201482 /nfs/dbraw/zinc/20/14/82/658201482.db2.gz NSTMYGWKUGWGAE-WOPDTQHZSA-N 2 0 265.357 -0.282 20 0 CBADRP CNC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923306189 658204998 /nfs/dbraw/zinc/20/49/98/658204998.db2.gz HXLFSJWJJAQANP-WDEREUQCSA-N 2 0 253.346 -0.425 20 0 CBADRP CNC(=O)[C@H](C)C[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923314248 658206502 /nfs/dbraw/zinc/20/65/02/658206502.db2.gz FFKMCVAMSMLQTG-MNOVXSKESA-N 2 0 255.362 -0.321 20 0 CBADRP CC(C)(C)[C@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)C(N)=O ZINC000923318165 658210200 /nfs/dbraw/zinc/21/02/00/658210200.db2.gz IQIFGOUZDPBKIY-VHSXEESVSA-N 2 0 255.362 -0.146 20 0 CBADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923322795 658212742 /nfs/dbraw/zinc/21/27/42/658212742.db2.gz ODZBTPGQAYJURX-MXAVVETBSA-N 3 0 285.432 -0.138 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C[C@H](O)C[N@H+](C)CCOC ZINC000923330410 658213649 /nfs/dbraw/zinc/21/36/49/658213649.db2.gz DWBVVLJGTHLBMR-ZIAGYGMSSA-N 2 0 273.421 -0.001 20 0 CBADRP CCOC[C@@H](O)C[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000923331726 658214724 /nfs/dbraw/zinc/21/47/24/658214724.db2.gz FQJDQMNVWSMCKM-STQMWFEESA-N 2 0 285.388 -0.720 20 0 CBADRP Cn1cc(N2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)cn1 ZINC000923324969 658218854 /nfs/dbraw/zinc/21/88/54/658218854.db2.gz OESCZIDXLZNXIC-CQSZACIVSA-N 2 0 291.399 -0.079 20 0 CBADRP O[C@H](Cn1cccn1)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923334549 658220236 /nfs/dbraw/zinc/22/02/36/658220236.db2.gz VWPIHPYLTQYGSA-QWHCGFSZSA-N 2 0 250.346 -0.071 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000923346903 658221213 /nfs/dbraw/zinc/22/12/13/658221213.db2.gz XNPQHCCHJNXAHZ-NEPJUHHUSA-N 2 0 273.377 -0.687 20 0 CBADRP C[C@@H](NC(C[NH3+])C[NH3+])C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000923350519 658221766 /nfs/dbraw/zinc/22/17/66/658221766.db2.gz AUXYVKLYASEWMJ-OUAUKWLOSA-N 2 0 256.394 -0.245 20 0 CBADRP CN1CC(=O)N(CC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1=O ZINC000923334721 658222939 /nfs/dbraw/zinc/22/29/39/658222939.db2.gz XZABDAMQMGMUOM-DCAQKATOSA-N 2 0 266.345 -0.451 20 0 CBADRP C[C@H](NC(C[NH3+])C[NH3+])C(=O)N(C)Cc1ccccc1 ZINC000923353115 658226498 /nfs/dbraw/zinc/22/64/98/658226498.db2.gz SXQYPZYYEMNWOA-NSHDSACASA-N 2 0 264.373 -0.091 20 0 CBADRP Cc1ccc(CNC(=O)CNC(C[NH3+])C[NH3+])cc1 ZINC000923353410 658226577 /nfs/dbraw/zinc/22/65/77/658226577.db2.gz XAHCZNCBJAGMQW-UHFFFAOYSA-N 2 0 250.346 -0.513 20 0 CBADRP C[C@H](NC(C[NH3+])C[NH3+])C(=O)N(C)c1ccccc1 ZINC000923353032 658226928 /nfs/dbraw/zinc/22/69/28/658226928.db2.gz RNXLHBHAJUHJBX-JTQLQIEISA-N 2 0 250.346 -0.087 20 0 CBADRP [NH3+]CC(C[NH3+])N[C@H]1CCN(C2CCCCC2)C1=O ZINC000923358572 658228005 /nfs/dbraw/zinc/22/80/05/658228005.db2.gz DAWYWVFIIXIZSA-LBPRGKRZSA-N 2 0 254.378 -0.204 20 0 CBADRP CCCN(CC(F)(F)F)C(=O)CNC(C[NH3+])C[NH3+] ZINC000923358742 658229890 /nfs/dbraw/zinc/22/98/90/658229890.db2.gz GTHHPXZWJCYYKB-UHFFFAOYSA-N 2 0 270.299 -0.337 20 0 CBADRP COC[C@H](O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000923363301 658231802 /nfs/dbraw/zinc/23/18/02/658231802.db2.gz REHBWFSMWFWWGG-UPJWGTAASA-N 2 0 258.362 -0.178 20 0 CBADRP C[N@H+](C[C@H](O)COC[C@H]1CCCO1)C1CC([NH3+])C1 ZINC000923363663 658233920 /nfs/dbraw/zinc/23/39/20/658233920.db2.gz XINMYCFVTBONLB-IFWUJCSASA-N 2 0 258.362 -0.036 20 0 CBADRP C[C@@H]1CN(CC[N@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)O1 ZINC000923372936 658241813 /nfs/dbraw/zinc/24/18/13/658241813.db2.gz KPMIQZBFENFURA-NDKCEZKHSA-N 2 0 271.405 -0.122 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000923368746 658243504 /nfs/dbraw/zinc/24/35/04/658243504.db2.gz GOBHTOTWCOAMHJ-NEPJUHHUSA-N 2 0 261.410 -0.112 20 0 CBADRP c1cn(C[C@H]2CC[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C2)nn1 ZINC000923387601 658248852 /nfs/dbraw/zinc/24/88/52/658248852.db2.gz WWDXUVSJHMAPBA-QWHCGFSZSA-N 2 0 277.372 -0.022 20 0 CBADRP CNC(=O)[C@]1(COC)CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923395321 658253263 /nfs/dbraw/zinc/25/32/63/658253263.db2.gz RNGXKDLMYVWBRC-IUODEOHRSA-N 2 0 297.399 -0.408 20 0 CBADRP COCCOC[C@H](O)CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000923398020 658253466 /nfs/dbraw/zinc/25/34/66/658253466.db2.gz IOZKXHZXDSAZLE-UPJWGTAASA-N 2 0 258.362 -0.177 20 0 CBADRP C[C@]1(C(N)=O)CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923394895 658255036 /nfs/dbraw/zinc/25/50/36/658255036.db2.gz NGZPTBKARQOSBC-JQWIXIFHSA-N 2 0 253.346 -0.438 20 0 CBADRP C[C@@H](O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000923400634 658261075 /nfs/dbraw/zinc/26/10/75/658261075.db2.gz XLDYNMWPINXFSU-JLLWLGSASA-N 2 0 269.345 -0.376 20 0 CBADRP C[C@H]1C[N@H+](CCN2C(=O)CN(C)C2=O)C[C@@H]1C[NH3+] ZINC000923411138 658265065 /nfs/dbraw/zinc/26/50/65/658265065.db2.gz LQHQVKUHPUDZNY-UWVGGRQHSA-N 2 0 254.334 -0.593 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000923412056 658265270 /nfs/dbraw/zinc/26/52/70/658265270.db2.gz WFZAEEXYABXRJC-XGUBFFRZSA-N 3 0 283.416 -0.073 20 0 CBADRP C[C@@H]1C[N@H+](CCN2C(=O)CN(C)C2=O)C[C@@H]1C[NH3+] ZINC000923411141 658267768 /nfs/dbraw/zinc/26/77/68/658267768.db2.gz LQHQVKUHPUDZNY-ZJUUUORDSA-N 2 0 254.334 -0.593 20 0 CBADRP CON1CC[C@@H]([NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)C1=O ZINC000923445563 658282084 /nfs/dbraw/zinc/28/20/84/658282084.db2.gz XVCNVMBEEQRBEG-NWDGAFQWSA-N 2 0 283.372 -0.022 20 0 CBADRP CNC(=O)NC(=O)CC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449335 658282133 /nfs/dbraw/zinc/28/21/33/658282133.db2.gz MJQGHJIMDQECSE-NSHDSACASA-N 2 0 298.387 -0.338 20 0 CBADRP CNC(=O)NC(=O)CC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449334 658284560 /nfs/dbraw/zinc/28/45/60/658284560.db2.gz MJQGHJIMDQECSE-LLVKDONJSA-N 2 0 298.387 -0.338 20 0 CBADRP COC[C@H](O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923442963 658284712 /nfs/dbraw/zinc/28/47/12/658284712.db2.gz RAPPSBXUXSCTSB-VXGBXAGGSA-N 2 0 258.362 -0.177 20 0 CBADRP O[C@@H](CN1CC[NH2+]CC[NH2+]CC1)CC(F)(F)F ZINC000923460900 658293399 /nfs/dbraw/zinc/29/33/99/658293399.db2.gz SZORWJFSXNDKOO-SECBINFHSA-N 2 0 255.284 -0.206 20 0 CBADRP NC(=O)c1cccc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923460183 658293521 /nfs/dbraw/zinc/29/35/21/658293521.db2.gz CMZUCHBTLFNECO-UHFFFAOYSA-N 2 0 262.357 -0.220 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000923477807 658302361 /nfs/dbraw/zinc/30/23/61/658302361.db2.gz LAWJIQLFTYQTSQ-OAHLLOKOSA-N 2 0 298.431 -0.628 20 0 CBADRP COC(=O)CCN1CC[C@@H]([N@@H+]2CC[C@H](CC[NH3+])C2)C1=O ZINC000923482285 658303517 /nfs/dbraw/zinc/30/35/17/658303517.db2.gz YGNCOEYFXMMMDC-NWDGAFQWSA-N 2 0 283.372 -0.179 20 0 CBADRP C[C@@H]1C[N@H+](CC(=O)NCC(=O)N2CCCC2)CC[C@@H]1C[NH3+] ZINC000923498673 658306197 /nfs/dbraw/zinc/30/61/97/658306197.db2.gz KPQDLGLSPCQNLY-CHWSQXEVSA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1)C(=O)N(C)C ZINC000923493634 658306652 /nfs/dbraw/zinc/30/66/52/658306652.db2.gz UJDNWMDKFLTBCP-GHMZBOCLSA-N 2 0 270.377 -0.750 20 0 CBADRP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC000923502869 658309712 /nfs/dbraw/zinc/30/97/12/658309712.db2.gz ZOANEKYRSMJFNA-OLZOCXBDSA-N 3 0 268.405 -0.275 20 0 CBADRP C[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC000923502871 658310897 /nfs/dbraw/zinc/31/08/97/658310897.db2.gz ZOANEKYRSMJFNA-STQMWFEESA-N 3 0 268.405 -0.275 20 0 CBADRP CN1CCN(C(=O)CC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000923518288 658313788 /nfs/dbraw/zinc/31/37/88/658313788.db2.gz CJNAQYFVBIFMGP-UONOGXRCSA-N 2 0 280.416 -0.308 20 0 CBADRP [NH3+][C@H](CNS(=O)(=O)C1C[NH2+]C1)c1ccccc1 ZINC000923568479 658330925 /nfs/dbraw/zinc/33/09/25/658330925.db2.gz FMHCOXDBZDYARO-LLVKDONJSA-N 2 0 255.343 -0.422 20 0 CBADRP C[NH2+]C1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923568001 658331102 /nfs/dbraw/zinc/33/11/02/658331102.db2.gz DCNRJFYOLSQJQR-LLVKDONJSA-N 2 0 261.391 -0.248 20 0 CBADRP CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923568818 658331441 /nfs/dbraw/zinc/33/14/41/658331441.db2.gz IIWCFYLSKPVWET-LLVKDONJSA-N 2 0 276.406 -0.790 20 0 CBADRP C[C@H](NS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000923568183 658333024 /nfs/dbraw/zinc/33/30/24/658333024.db2.gz WHQMNIZCDCEOHI-QWRGUYRKSA-N 2 0 276.406 -0.886 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000923576397 658337381 /nfs/dbraw/zinc/33/73/81/658337381.db2.gz IHTZCYYUDZHPDR-AXFHLTTASA-N 2 0 277.390 -0.884 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000923585334 658341986 /nfs/dbraw/zinc/34/19/86/658341986.db2.gz RUYGSVVIMJCHEU-UHFFFAOYSA-N 2 0 282.369 -0.495 20 0 CBADRP C[C@H]1CCC[N@H+](CCNS(=O)(=O)C2C[NH2+]C2)C1 ZINC000923588711 658342111 /nfs/dbraw/zinc/34/21/11/658342111.db2.gz HXAWSTZFNUJRMY-JTQLQIEISA-N 2 0 261.391 -0.391 20 0 CBADRP C[C@@H](CNS(=O)(=O)C1C[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000923596550 658345175 /nfs/dbraw/zinc/34/51/75/658345175.db2.gz SXRQDFVLYINMIH-NSHDSACASA-N 2 0 275.418 -0.002 20 0 CBADRP CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)C1C[NH2+]C1 ZINC000923610190 658349413 /nfs/dbraw/zinc/34/94/13/658349413.db2.gz NBAFLMPZPJORAC-SNVBAGLBSA-N 2 0 259.375 -0.544 20 0 CBADRP O=S(=O)(N[C@H]1CC[N@H+](CC2CC2)C1)N1CC[NH2+]CC1 ZINC000923607976 658350574 /nfs/dbraw/zinc/35/05/74/658350574.db2.gz FXNVGDLOVMWUTG-LBPRGKRZSA-N 2 0 288.417 -0.790 20 0 CBADRP [NH3+]C1CC2(C1)CC(NS(=O)(=O)[C@@H]1CCC[NH2+]C1)C2 ZINC000923635459 658366281 /nfs/dbraw/zinc/36/62/81/658366281.db2.gz INFSNEULZUHBMJ-QDLLBCNESA-N 2 0 273.402 -0.072 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000923632144 658366710 /nfs/dbraw/zinc/36/67/10/658366710.db2.gz DFFOBFNQHHJPLA-MXWKQRLJSA-N 2 0 261.391 -0.250 20 0 CBADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923632837 658366998 /nfs/dbraw/zinc/36/69/98/658366998.db2.gz GWNJVIJYCVRILT-VXGBXAGGSA-N 2 0 273.402 -0.246 20 0 CBADRP [NH3+][C@H]1Cc2ccccc2N(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923647187 658374151 /nfs/dbraw/zinc/37/41/51/658374151.db2.gz ARWWXKBXTPYXMS-LBPRGKRZSA-N 2 0 296.396 -0.474 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923645960 658374179 /nfs/dbraw/zinc/37/41/79/658374179.db2.gz QEERPDUEZITKJT-VXGBXAGGSA-N 2 0 287.429 0.000 20 0 CBADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCC2(CC[NH2+]2)CC1 ZINC000923649375 658375649 /nfs/dbraw/zinc/37/56/49/658375649.db2.gz RANZIHXYGKTSNW-LLVKDONJSA-N 2 0 273.402 -0.104 20 0 CBADRP O=S(=O)(NC[C@H]1CCC[N@H+](CC2CC2)C1)C1C[NH2+]C1 ZINC000923658751 658384297 /nfs/dbraw/zinc/38/42/97/658384297.db2.gz INMNPDDWNKBJOZ-GFCCVEGCSA-N 2 0 287.429 0.000 20 0 CBADRP CC1(C)C[NH2+]CC[C@H](NS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923668481 658390196 /nfs/dbraw/zinc/39/01/96/658390196.db2.gz VZASEHNNTMAVNJ-NSHDSACASA-N 2 0 290.433 -0.496 20 0 CBADRP [NH3+]C[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)C[C@@H]1C(F)(F)F ZINC000923670174 658391651 /nfs/dbraw/zinc/39/16/51/658391651.db2.gz IHMOJSNCSUMUAM-XPUUQOCRSA-N 2 0 287.307 -0.643 20 0 CBADRP O=S(=O)(N[C@]12CCC[C@H]1[NH2+]CC2)N1CC[NH2+]CC1 ZINC000923672672 658391700 /nfs/dbraw/zinc/39/17/00/658391700.db2.gz XCAYMADDOYGCOE-MNOVXSKESA-N 2 0 274.390 -0.989 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)[C@@H]1CCC[NH2+]C1)C2 ZINC000923672355 658392062 /nfs/dbraw/zinc/39/20/62/658392062.db2.gz VTAWCKIFRINRIW-QJPTWQEYSA-N 2 0 273.402 -0.391 20 0 CBADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000923670574 658392912 /nfs/dbraw/zinc/39/29/12/658392912.db2.gz AMBORKOKKZXKQD-IJLUTSLNSA-N 2 0 273.402 -0.106 20 0 CBADRP O=S(=O)(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC000923670186 658393119 /nfs/dbraw/zinc/39/31/19/658393119.db2.gz CAWQZMUKWXKQCZ-WOPDTQHZSA-N 2 0 273.402 -0.058 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000923693960 658398807 /nfs/dbraw/zinc/39/88/07/658398807.db2.gz CKRLHFSCDCMEMT-LLVKDONJSA-N 2 0 279.406 -0.947 20 0 CBADRP CC(C)C[C@H]1CN(C)CCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923749142 658444097 /nfs/dbraw/zinc/44/40/97/658444097.db2.gz WRXNXTJQPLFVCB-NSHDSACASA-N 2 0 275.418 -0.050 20 0 CBADRP CC[NH+]1CCC(N2C(=O)N[C@H](C[NH+](C)C)C2=O)CC1 ZINC000924442318 658598606 /nfs/dbraw/zinc/59/86/06/658598606.db2.gz ZLOJPXKTSLRLBO-LLVKDONJSA-N 2 0 268.361 -0.047 20 0 CBADRP COCC[N@H+](C)CCN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924567253 658613747 /nfs/dbraw/zinc/61/37/47/658613747.db2.gz KJCQDFKPQJCMIM-SNVBAGLBSA-N 2 0 272.349 -0.953 20 0 CBADRP COCC[N@@H+]1CC[C@@H](N2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000924598143 658619575 /nfs/dbraw/zinc/61/95/75/658619575.db2.gz DFGKXOSOPCLKAS-MNOVXSKESA-N 2 0 284.360 -0.811 20 0 CBADRP C[NH+](C)C[C@H]1NC(=O)N([C@H]2CC[N@H+](CC3CC3)C2)C1=O ZINC000924592503 658620041 /nfs/dbraw/zinc/62/00/41/658620041.db2.gz RSCHYGDMOZDKED-NWDGAFQWSA-N 2 0 280.372 -0.047 20 0 CBADRP O=C(NC[C@H]1C[N@@H+](CCCF)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958591797 658670079 /nfs/dbraw/zinc/67/00/79/658670079.db2.gz JALSZSWGSVIKIM-QWHCGFSZSA-N 2 0 299.390 -0.149 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+](CCCF)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958591795 658670240 /nfs/dbraw/zinc/67/02/40/658670240.db2.gz JALSZSWGSVIKIM-CHWSQXEVSA-N 2 0 299.390 -0.149 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2C)CCC1 ZINC000924979019 658684660 /nfs/dbraw/zinc/68/46/60/658684660.db2.gz CXRUXWZYADYUFH-WDEREUQCSA-N 2 0 255.362 -0.348 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC000924980499 658692141 /nfs/dbraw/zinc/69/21/41/658692141.db2.gz GJTSSOZMVTUBFN-QWHCGFSZSA-N 2 0 269.389 -0.101 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC000924980497 658692163 /nfs/dbraw/zinc/69/21/63/658692163.db2.gz GJTSSOZMVTUBFN-CHWSQXEVSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000925098796 658805971 /nfs/dbraw/zinc/80/59/71/658805971.db2.gz VGCXNUMGXOULRB-ZJUUUORDSA-N 2 0 254.334 -0.437 20 0 CBADRP C[NH+](C)C[C@@H]1NC(=O)N(C[C@H]2CCC[N@@H+]2C)C1=O ZINC000925288045 658816559 /nfs/dbraw/zinc/81/65/59/658816559.db2.gz BGUPODHBWRYEON-ZJUUUORDSA-N 2 0 254.334 -0.437 20 0 CBADRP C[NH+](C)C[C@H]1NC(=O)N([C@H]2CCC[N@H+](C)C2)C1=O ZINC000925298810 658817765 /nfs/dbraw/zinc/81/77/65/658817765.db2.gz PWJFDYMOUDLOOE-VHSXEESVSA-N 2 0 254.334 -0.437 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)CC[N@@H+]1C ZINC000961602074 658826071 /nfs/dbraw/zinc/82/60/71/658826071.db2.gz WSFRAQXTOPIDFJ-QSLWVIQJSA-N 2 0 281.400 -0.245 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000925396602 658838167 /nfs/dbraw/zinc/83/81/67/658838167.db2.gz AQXHEQPWGUOBKR-STQMWFEESA-N 2 0 284.404 -0.164 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000925396600 658838344 /nfs/dbraw/zinc/83/83/44/658838344.db2.gz AQXHEQPWGUOBKR-QWHCGFSZSA-N 2 0 284.404 -0.164 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000925408052 658840493 /nfs/dbraw/zinc/84/04/93/658840493.db2.gz NXXDHTFCCVREIX-MGPQQGTHSA-N 2 0 296.415 -0.069 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NC[C@H]1CC[NH+]1C ZINC000925415006 658842276 /nfs/dbraw/zinc/84/22/76/658842276.db2.gz QFRFYNQVAUAFDE-LLVKDONJSA-N 2 0 258.366 -0.696 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000925424157 658845137 /nfs/dbraw/zinc/84/51/37/658845137.db2.gz KUPCNEAXACTCND-QWHCGFSZSA-N 2 0 284.404 -0.164 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000925424511 658846448 /nfs/dbraw/zinc/84/64/48/658846448.db2.gz MGCKHMRJDDZEHS-STQMWFEESA-N 2 0 284.404 -0.164 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000925428670 658849040 /nfs/dbraw/zinc/84/90/40/658849040.db2.gz DISSLZPDOXFFTH-STQMWFEESA-N 2 0 284.404 -0.164 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000925429028 658850054 /nfs/dbraw/zinc/85/00/54/658850054.db2.gz ILHBOGUHHRNIIN-GRYCIOLGSA-N 2 0 268.361 -0.849 20 0 CBADRP C[C@H](CN[C@@H]1C[NH2+]CCOC1)C[NH+]1CCN(C)CC1 ZINC000925491726 658857088 /nfs/dbraw/zinc/85/70/88/658857088.db2.gz QYRGKGGBEXRYRX-ZIAGYGMSSA-N 2 0 270.421 -0.552 20 0 CBADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CNCCOC2)CC1 ZINC000925547129 658858275 /nfs/dbraw/zinc/85/82/75/658858275.db2.gz SAFFYVCIJMZUOV-HNNXBMFYSA-N 2 0 284.448 -0.018 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CN[C@@H]1C[NH2+]CCOC1 ZINC000925542840 658858330 /nfs/dbraw/zinc/85/83/30/658858330.db2.gz QSURWYMEJCJZDR-OLZOCXBDSA-N 2 0 259.394 -0.079 20 0 CBADRP COC1CC[NH+](CCN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925540597 658858403 /nfs/dbraw/zinc/85/84/03/658858403.db2.gz CYHYRBDNNYFDEV-GFCCVEGCSA-N 2 0 257.378 -0.325 20 0 CBADRP NC(=O)C1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCOCC1 ZINC000925544001 658858448 /nfs/dbraw/zinc/85/84/48/658858448.db2.gz PGBDQHPIFGMMTD-OBPIAQAESA-N 2 0 279.384 -0.146 20 0 CBADRP CCCNC(=O)CN1CCC([NH2+][C@@H]2CNCCOC2)CC1 ZINC000925544645 658858545 /nfs/dbraw/zinc/85/85/45/658858545.db2.gz UAMCTVQJDOKRCI-CQSZACIVSA-N 2 0 298.431 -0.445 20 0 CBADRP O=S1(=O)CCCN1CCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925592809 658860505 /nfs/dbraw/zinc/86/05/05/658860505.db2.gz YQEXDYBNUWERKT-YHQUGGNUSA-N 2 0 299.440 -0.002 20 0 CBADRP CN1CCC[N@H+](CCCN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925608832 658861860 /nfs/dbraw/zinc/86/18/60/658861860.db2.gz KNFFGWWULBLZLE-CQSZACIVSA-N 2 0 270.421 -0.408 20 0 CBADRP C[C@H](CC[NH+]1CCN(C)CC1)N[C@H]1C[NH2+]CCOC1 ZINC000925641200 658863207 /nfs/dbraw/zinc/86/32/07/658863207.db2.gz LGTYUKRGEKLWEP-KGLIPLIRSA-N 2 0 270.421 -0.410 20 0 CBADRP O[C@@H]1CCC[C@H]1[NH+]1CCC(N[C@H]2C[NH2+]CCOC2)CC1 ZINC000925620708 658863788 /nfs/dbraw/zinc/86/37/88/658863788.db2.gz XMWULGCPIPCDTF-RRFJBIMHSA-N 2 0 283.416 -0.058 20 0 CBADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000925621268 658864012 /nfs/dbraw/zinc/86/40/12/658864012.db2.gz GPCKEOAIHUZRDI-QWRGUYRKSA-N 2 0 275.418 -0.002 20 0 CBADRP [NH3+][C@H]1C[C@H](NCC(=O)N2CC[NH2+]CC2)C12CCC2 ZINC000925693773 658865497 /nfs/dbraw/zinc/86/54/97/658865497.db2.gz RQQKDUFNBIIJEM-QWRGUYRKSA-N 2 0 252.362 -0.722 20 0 CBADRP C(CN1CC[NH2+]CC1)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925687725 658865579 /nfs/dbraw/zinc/86/55/79/658865579.db2.gz AHZLDBKYLMFVFL-QSLWVIQJSA-N 2 0 250.390 -0.522 20 0 CBADRP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2[C@@H]3COC[C@H]2C[C@@H]([NH3+])C3)C1 ZINC000925717197 658866733 /nfs/dbraw/zinc/86/67/33/658866733.db2.gz ALXRXRWBBIATSB-BSRHJUGDSA-N 2 0 253.346 -0.408 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000925715225 658866924 /nfs/dbraw/zinc/86/69/24/658866924.db2.gz AYXRANZOMUSCGA-WCBMZHEXSA-N 2 0 251.334 -0.129 20 0 CBADRP C1C[C@H]([NH+]2CCC(N[C@@H]3C[NH2+]CCOC3)CC2)CO1 ZINC000925703704 658867081 /nfs/dbraw/zinc/86/70/81/658867081.db2.gz BDSNPXBPSLHCPI-KGLIPLIRSA-N 2 0 269.389 -0.182 20 0 CBADRP O[C@@H]1CC[N@H+](CCN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925719801 658867838 /nfs/dbraw/zinc/86/78/38/658867838.db2.gz TZYVLVIKNFDFLI-VPCRRHSYSA-N 2 0 251.374 -0.361 20 0 CBADRP COC(=O)CCNC(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925719024 658867868 /nfs/dbraw/zinc/86/78/68/658867868.db2.gz PVHHQNBGAUVFRM-MNOVXSKESA-N 2 0 283.372 -0.085 20 0 CBADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@]23COCCN2C(=O)COC3)C12CCC2 ZINC000925727979 658868960 /nfs/dbraw/zinc/86/89/60/658868960.db2.gz RRYLOMWXDUHHJN-DYEKYZERSA-N 2 0 295.383 -0.526 20 0 CBADRP NC(=O)C1CC([NH2+][C@@H]2[C@@H]3COC[C@H]2C[C@@H]([NH3+])C3)C1 ZINC000925726922 658869071 /nfs/dbraw/zinc/86/90/71/658869071.db2.gz ALXRXRWBBIATSB-WTYGZNTMSA-N 2 0 253.346 -0.408 20 0 CBADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817432 658873194 /nfs/dbraw/zinc/87/31/94/658873194.db2.gz SDMGHVZGCUCRSX-STQMWFEESA-N 2 0 284.404 -0.707 20 0 CBADRP C1CC2(CCO1)C[NH2+]C[C@@H](N[C@@H]1C[NH2+]CCOC1)C2 ZINC000925797796 658873288 /nfs/dbraw/zinc/87/32/88/658873288.db2.gz OJZUORTYRWZDEJ-QWHCGFSZSA-N 2 0 269.389 -0.277 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926293412 658890321 /nfs/dbraw/zinc/89/03/21/658890321.db2.gz MDUQQZOIVPFFEK-HNNXBMFYSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)CC[C@H]1C[NH3+] ZINC000926295077 658890811 /nfs/dbraw/zinc/89/08/11/658890811.db2.gz YOBHYPCNJNFGPN-NEPJUHHUSA-N 2 0 284.404 -0.550 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000926295992 658891280 /nfs/dbraw/zinc/89/12/80/658891280.db2.gz SPMFFYYFCOQTQE-CYBMUJFWSA-N 2 0 296.415 -0.262 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH3+] ZINC000926331637 658892700 /nfs/dbraw/zinc/89/27/00/658892700.db2.gz HKOAHRTZHFPTLM-GRYCIOLGSA-N 2 0 282.388 -0.798 20 0 CBADRP C[NH+](C)[C@H]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000926329915 658892763 /nfs/dbraw/zinc/89/27/63/658892763.db2.gz HUFLZCLCSNJGQM-RYUDHWBXSA-N 2 0 282.388 -0.654 20 0 CBADRP C[NH+](C)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000926329913 658893205 /nfs/dbraw/zinc/89/32/05/658893205.db2.gz HUFLZCLCSNJGQM-NEPJUHHUSA-N 2 0 282.388 -0.654 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C[C@@H]1[NH+](C)C ZINC000926341100 658894946 /nfs/dbraw/zinc/89/49/46/658894946.db2.gz ITZMUFSTDVAMAA-UPJWGTAASA-N 2 0 296.415 -0.408 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)C[C@H]1[NH3+] ZINC000926344577 658895370 /nfs/dbraw/zinc/89/53/70/658895370.db2.gz KYWYUHYIOTYPAS-LPWJVIDDSA-N 2 0 296.415 -0.409 20 0 CBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000926375881 658896917 /nfs/dbraw/zinc/89/69/17/658896917.db2.gz XPCBWVDQAAHAGY-DGCLKSJQSA-N 2 0 296.415 -0.219 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926384045 658897487 /nfs/dbraw/zinc/89/74/87/658897487.db2.gz YRSWSCMHEBCLIU-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C[C@H]1[NH3+] ZINC000926418598 658899752 /nfs/dbraw/zinc/89/97/52/658899752.db2.gz KPEVVRDNQRUYCO-FRRDWIJNSA-N 2 0 292.383 -0.735 20 0 CBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@@H]([NH2+]CCO)C1 ZINC000968702034 658939217 /nfs/dbraw/zinc/93/92/17/658939217.db2.gz BSTBUOYPWPXORM-OLZOCXBDSA-N 2 0 267.373 -0.489 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC000969135228 658951889 /nfs/dbraw/zinc/95/18/89/658951889.db2.gz DZKMFYBBUSUYGG-GHMZBOCLSA-N 2 0 291.355 -0.879 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)C(N)=O ZINC000969197616 658957554 /nfs/dbraw/zinc/95/75/54/658957554.db2.gz LXVNPAAYCFEPLO-NWDGAFQWSA-N 2 0 294.399 -0.321 20 0 CBADRP C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1C[NH+](CCO)C1 ZINC000969677190 659011361 /nfs/dbraw/zinc/01/13/61/659011361.db2.gz NNPAQACIRJYPNJ-RISCZKNCSA-N 2 0 281.400 -0.243 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000969950444 659025146 /nfs/dbraw/zinc/02/51/46/659025146.db2.gz IEAUDZSGOPOCLK-WDEREUQCSA-N 2 0 268.361 -0.854 20 0 CBADRP Cc1ncc2n1CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCO)C1)C2 ZINC000969962991 659025417 /nfs/dbraw/zinc/02/54/17/659025417.db2.gz QOQCHOJSRYTBSV-CHWSQXEVSA-N 2 0 292.383 -0.063 20 0 CBADRP C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1C[NH+](CCO)C1 ZINC000969968406 659026439 /nfs/dbraw/zinc/02/64/39/659026439.db2.gz ITQPJKBACNFLPY-DGCLKSJQSA-N 2 0 269.389 -0.101 20 0 CBADRP Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC000970103696 659035238 /nfs/dbraw/zinc/03/52/38/659035238.db2.gz SPFVPZADDJXCMP-SNVBAGLBSA-N 2 0 289.343 -0.529 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928559532 659043170 /nfs/dbraw/zinc/04/31/70/659043170.db2.gz ZLKKVGGVMKSWBY-NEPJUHHUSA-N 2 0 255.362 -0.225 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000928571557 659048627 /nfs/dbraw/zinc/04/86/27/659048627.db2.gz OXEKVFNJOJZIOV-YPMHNXCESA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH+](C)CCO)C1 ZINC000972333877 659116985 /nfs/dbraw/zinc/11/69/85/659116985.db2.gz YGMNYGBAJOSLDS-QWHCGFSZSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972735226 659126727 /nfs/dbraw/zinc/12/67/27/659126727.db2.gz KHZUSSQNFVDYGI-STQMWFEESA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@H](CNC(=O)C[N@@H+](C)C[C@H](C)O)[NH+](C)C[C@H](C)O ZINC000929706838 659162079 /nfs/dbraw/zinc/16/20/79/659162079.db2.gz SPDHNXVYSWKHNO-WOPDTQHZSA-N 2 0 275.393 -0.884 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)C3(O)CCC3)CC2)C1 ZINC000929980435 659189388 /nfs/dbraw/zinc/18/93/88/659189388.db2.gz KISYZHYFUIVELP-LSDHHAIUSA-N 2 0 297.443 -0.026 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2C[C@H](O)CO ZINC000930059292 659201665 /nfs/dbraw/zinc/20/16/65/659201665.db2.gz CLHGNRTZPAETPE-MROQNXINSA-N 2 0 258.362 -0.477 20 0 CBADRP C[C@H](O)[C@@H](O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000930113123 659209920 /nfs/dbraw/zinc/20/99/20/659209920.db2.gz CNIJVIFUTJCZCA-JSGCOSHPSA-N 2 0 273.421 -0.314 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000980833819 659293880 /nfs/dbraw/zinc/29/38/80/659293880.db2.gz KVVFMBNMPVGQNN-CHWSQXEVSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CCO)CC2)CC[N@@H+]1C ZINC000981196450 659310284 /nfs/dbraw/zinc/31/02/84/659310284.db2.gz FKYVNXUVEIJSFK-CHWSQXEVSA-N 2 0 269.389 -0.147 20 0 CBADRP CNC(=O)[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000930748675 659336661 /nfs/dbraw/zinc/33/66/61/659336661.db2.gz ZCWWIHVUNMUGLN-RYUDHWBXSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC[NH+](CCO)CC1 ZINC000981958586 659337352 /nfs/dbraw/zinc/33/73/52/659337352.db2.gz GAUHXXOVIJLLNY-OLZOCXBDSA-N 2 0 269.389 -0.289 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000985333116 659381359 /nfs/dbraw/zinc/38/13/59/659381359.db2.gz XRQRAZPYGFDRCC-WCQYABFASA-N 2 0 296.415 -0.123 20 0 CBADRP CC(C)[C@H](C(=O)N1CCC([N@H+](C)CC(N)=O)CC1)[NH+](C)C ZINC000985640422 659395618 /nfs/dbraw/zinc/39/56/18/659395618.db2.gz ZQRHZIUFDMNRSA-CQSZACIVSA-N 2 0 298.431 -0.019 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000985794261 659399479 /nfs/dbraw/zinc/39/94/79/659399479.db2.gz ZROWHIOJNKJPAK-VXGBXAGGSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@@H]1[C@H]([NH2+]CCO)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986817266 659482055 /nfs/dbraw/zinc/48/20/55/659482055.db2.gz XLMXCOQKNQLDQK-DGCLKSJQSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H]1[C@H]([NH2+]CCO)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986817270 659484147 /nfs/dbraw/zinc/48/41/47/659484147.db2.gz XLMXCOQKNQLDQK-WCQYABFASA-N 2 0 269.389 -0.101 20 0 CBADRP COCC[N@H+](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC000931627149 659492952 /nfs/dbraw/zinc/49/29/52/659492952.db2.gz LEESFGMWHNCRIW-UHFFFAOYSA-N 2 0 287.404 -0.208 20 0 CBADRP C[C@H]1[C@H]([NH2+]CCO)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000987282304 659499937 /nfs/dbraw/zinc/49/99/37/659499937.db2.gz WGAITEHPFGONPF-GXTWGEPZSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)C[NH+]1CCCC1 ZINC000987534166 659511076 /nfs/dbraw/zinc/51/10/76/659511076.db2.gz UWORBAUSBOLJNL-RYUDHWBXSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CC[NH+]1CCCCC1 ZINC000987570096 659511639 /nfs/dbraw/zinc/51/16/39/659511639.db2.gz KHWSJEIOBIPIOS-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1CCN1C ZINC000931885447 659550640 /nfs/dbraw/zinc/55/06/40/659550640.db2.gz YNYUZGDQUSDTNN-GFCCVEGCSA-N 2 0 282.388 -0.641 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)C[N@H+](C)C1CCC1 ZINC000988968275 659562864 /nfs/dbraw/zinc/56/28/64/659562864.db2.gz RRKZAQDWBWXVCD-GHMZBOCLSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000989490601 659589442 /nfs/dbraw/zinc/58/94/42/659589442.db2.gz CXPKOAZTDPYXLI-CYBMUJFWSA-N 2 0 281.400 -0.003 20 0 CBADRP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)NC(N)=O)C[C@]2(C)C1 ZINC000933741849 659736744 /nfs/dbraw/zinc/73/67/44/659736744.db2.gz JKCWTCXSDITFLM-SKDRFNHKSA-N 2 0 254.334 -0.545 20 0 CBADRP C[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000990526409 659756927 /nfs/dbraw/zinc/75/69/27/659756927.db2.gz RJDLJJWGOXQGJG-YPMHNXCESA-N 2 0 294.399 -0.641 20 0 CBADRP OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@H](O)C[NH+]1CCCC1 ZINC000934257060 659794054 /nfs/dbraw/zinc/79/40/54/659794054.db2.gz GAAMHZSHLJZISI-OAGGEKHMSA-N 2 0 297.443 -0.026 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000934270007 659797267 /nfs/dbraw/zinc/79/72/67/659797267.db2.gz SDYUQCKTKPHAGD-KKUMJFAQSA-N 2 0 285.432 -0.170 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC2CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000991723017 659842907 /nfs/dbraw/zinc/84/29/07/659842907.db2.gz RDWLIGBQBMZDOA-LBPRGKRZSA-N 2 0 294.399 -0.639 20 0 CBADRP C[NH+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000991725352 659843245 /nfs/dbraw/zinc/84/32/45/659843245.db2.gz ZHNSLHGAOXATBL-NWDGAFQWSA-N 2 0 294.399 -0.783 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC000991750955 659844191 /nfs/dbraw/zinc/84/41/91/659844191.db2.gz XTNISGKNKZGNJK-GFCCVEGCSA-N 2 0 294.399 -0.639 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000995986590 659920905 /nfs/dbraw/zinc/92/09/05/659920905.db2.gz YXWDXHDIFHWHQU-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CCN1CC(N)=O ZINC000947685933 659960181 /nfs/dbraw/zinc/96/01/81/659960181.db2.gz QMGLZBFFVFZOGF-DGCLKSJQSA-N 2 0 296.415 -0.217 20 0 CBADRP c1nc2c(c(N3CCN4CC[NH2+]C[C@H]4C3)n1)CC[NH2+]CC2 ZINC001164391911 718828626 /nfs/dbraw/zinc/82/86/26/718828626.db2.gz MEWJBWWWXNWIII-LBPRGKRZSA-N 2 0 288.399 -0.741 20 0 CBADRP c1c2c(nnc1N1CCN3CC[NH2+]C[C@@H]3C1)CC[NH2+]C2 ZINC001164399177 718836471 /nfs/dbraw/zinc/83/64/71/718836471.db2.gz PVOAWOVULXWXIQ-GFCCVEGCSA-N 2 0 274.372 -0.784 20 0 CBADRP C[N@@H+]1CCO[C@H]2CN(c3cc(C4C[NH2+]C4)ncn3)C[C@H]21 ZINC001164667086 719490109 /nfs/dbraw/zinc/49/01/09/719490109.db2.gz ISSWOHCDZNXEAV-OLZOCXBDSA-N 2 0 275.356 -0.317 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001076462501 805577341 /nfs/dbraw/zinc/57/73/41/805577341.db2.gz XFTSVGCZKDTDMR-HZSPNIEDSA-N 2 0 281.400 -0.147 20 0 CBADRP Cn1cncc1CCC(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076517501 805579068 /nfs/dbraw/zinc/57/90/68/805579068.db2.gz NMQUWHVXTUOLLY-GXTWGEPZSA-N 2 0 292.383 -0.122 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001076571262 805579751 /nfs/dbraw/zinc/57/97/51/805579751.db2.gz BNGOYGJHRSWLEN-QWHCGFSZSA-N 2 0 267.373 -0.393 20 0 CBADRP CC(=O)N1CCC[N@H+](CCN2CC[NH2+]CC2)CC1 ZINC000043499928 790324971 /nfs/dbraw/zinc/32/49/71/790324971.db2.gz QBOFWYRDLNDSRE-UHFFFAOYSA-N 2 0 254.378 -0.554 20 0 CBADRP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000044413006 790326617 /nfs/dbraw/zinc/32/66/17/790326617.db2.gz NRWSYUATUOTAFC-MNOVXSKESA-N 2 0 268.361 -0.996 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[NH2+]CCO3)CC[C@@H]21 ZINC000167516360 790408614 /nfs/dbraw/zinc/40/86/14/790408614.db2.gz JBXUQKHZQSYAQT-AVGNSLFASA-N 2 0 267.373 -0.083 20 0 CBADRP CNC(=O)CN1CCC(NC(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000380287172 790513092 /nfs/dbraw/zinc/51/30/92/790513092.db2.gz CQNHFWZBIKKYIB-LBPRGKRZSA-N 2 0 282.388 -0.560 20 0 CBADRP CS(=O)(=O)N1CCC([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000380984938 790516005 /nfs/dbraw/zinc/51/60/05/790516005.db2.gz FFXZXVPRJSUHOK-GOCOPAARSA-N 2 0 299.440 -0.004 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C[C@@H](O)C[N@H+](C)CCOC ZINC000381340201 790517465 /nfs/dbraw/zinc/51/74/65/790517465.db2.gz KJTSVJQOXIBTSX-OLZOCXBDSA-N 2 0 259.394 -0.391 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)CCO1 ZINC000381188946 790518617 /nfs/dbraw/zinc/51/86/17/790518617.db2.gz WMCAHHXMOKGCAZ-XQQFMLRXSA-N 2 0 257.378 -0.509 20 0 CBADRP O[C@H](CN1CCN([C@@H]2CC[NH2+]C2)CC1)C[NH+]1CCCC1 ZINC000383925809 790531822 /nfs/dbraw/zinc/53/18/22/790531822.db2.gz TZPDFZNYZUYFAK-CABCVRRESA-N 2 0 282.432 -0.577 20 0 CBADRP CN(C)S(=O)(=O)CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000383837653 790531183 /nfs/dbraw/zinc/53/11/83/790531183.db2.gz YVDNUBGWUNNZRF-WDEREUQCSA-N 2 0 261.391 -0.581 20 0 CBADRP COC(=O)[C@H]1CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000386029644 790544313 /nfs/dbraw/zinc/54/43/13/790544313.db2.gz YCCKAKXTXGRNQP-NWDGAFQWSA-N 2 0 256.346 -0.062 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385139318 790538812 /nfs/dbraw/zinc/53/88/12/790538812.db2.gz LVLSQNZBBZQAIJ-MQYQWHSLSA-N 2 0 271.405 -0.583 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000388877084 790559029 /nfs/dbraw/zinc/55/90/29/790559029.db2.gz RRDXHTRPCITSCI-RDBSUJKOSA-N 3 0 273.421 -0.158 20 0 CBADRP COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000388803347 790559389 /nfs/dbraw/zinc/55/93/89/790559389.db2.gz UJOPYUMRQUJQOS-KBPBESRZSA-N 2 0 273.421 -0.014 20 0 CBADRP COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000388803350 790559854 /nfs/dbraw/zinc/55/98/54/790559854.db2.gz UJOPYUMRQUJQOS-UONOGXRCSA-N 2 0 273.421 -0.014 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000394077097 790576256 /nfs/dbraw/zinc/57/62/56/790576256.db2.gz CERBTPCEUXCQPT-STQMWFEESA-N 2 0 259.394 -0.533 20 0 CBADRP [NH3+][C@H](CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)C1CC1 ZINC000394385583 790576658 /nfs/dbraw/zinc/57/66/58/790576658.db2.gz MLERMSOGJFHYEU-QWHCGFSZSA-N 2 0 266.389 -0.380 20 0 CBADRP [NH3+][C@@H](CC1CC1)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394384025 790576795 /nfs/dbraw/zinc/57/67/95/790576795.db2.gz GHSJOZBUGFFLJZ-STQMWFEESA-N 2 0 266.389 -0.380 20 0 CBADRP [NH3+]CC1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000394079877 790576819 /nfs/dbraw/zinc/57/68/19/790576819.db2.gz OOEZQIJTIXSDIH-ZDUSSCGKSA-N 2 0 257.378 -0.650 20 0 CBADRP CCCN(C[C@@H](O)C[N@H+](C)CCOC)[C@@H]1CC[NH2+]C1 ZINC000394062033 790577306 /nfs/dbraw/zinc/57/73/06/790577306.db2.gz AMRVCHWNJNNZQU-KGLIPLIRSA-N 2 0 273.421 -0.001 20 0 CBADRP CC1(C)NC(=O)N(CC[NH+]2CCC(O)(C[NH3+])CC2)C1=O ZINC000397008729 790592574 /nfs/dbraw/zinc/59/25/74/790592574.db2.gz HNNLUAWXLMHOQB-UHFFFAOYSA-N 2 0 284.360 -0.898 20 0 CBADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCNC(=O)C2)CC1 ZINC000397597800 790593969 /nfs/dbraw/zinc/59/39/69/790593969.db2.gz MLRRANFZKKKGJP-LLVKDONJSA-N 2 0 255.362 -0.299 20 0 CBADRP O=C1OCCN1CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000403159340 790611693 /nfs/dbraw/zinc/61/16/93/790611693.db2.gz FWTZZBCXZTUPNQ-GFCCVEGCSA-N 2 0 268.361 -0.582 20 0 CBADRP C[N@H+](CCNS(=O)(=O)C1C[NH2+]C1)C1CCCC1 ZINC000405102530 790613159 /nfs/dbraw/zinc/61/31/59/790613159.db2.gz NSFRSPTWYUWJHN-UHFFFAOYSA-N 2 0 261.391 -0.248 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000405082589 790613983 /nfs/dbraw/zinc/61/39/83/790613983.db2.gz BGTPRAMCHXJIIV-SNVBAGLBSA-N 2 0 261.391 -0.296 20 0 CBADRP CS(=O)(=O)NCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405381818 790616458 /nfs/dbraw/zinc/61/64/58/790616458.db2.gz DDXZCWUUSCDDLJ-NXEZZACHSA-N 2 0 261.391 -0.215 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC000405500709 790618816 /nfs/dbraw/zinc/61/88/16/790618816.db2.gz SLRYGTGOHYPUCX-NXEZZACHSA-N 2 0 261.391 -0.263 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000529390795 790630877 /nfs/dbraw/zinc/63/08/77/790630877.db2.gz WCBMTUCKUAILFC-GXTWGEPZSA-N 2 0 282.388 -0.240 20 0 CBADRP COC(=O)N(C)CC[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000690771001 790671997 /nfs/dbraw/zinc/67/19/97/790671997.db2.gz JQTWEQMTTCQHPC-UHFFFAOYSA-N 2 0 286.376 -0.562 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000692012304 790675603 /nfs/dbraw/zinc/67/56/03/790675603.db2.gz CCFUKJHJKPLGDP-SRVKXCTJSA-N 2 0 255.362 -0.036 20 0 CBADRP CN(C)S(=O)(=O)N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000693562778 790682507 /nfs/dbraw/zinc/68/25/07/790682507.db2.gz QGYSPWOXSRXDMO-PHIMTYICSA-N 2 0 276.406 -0.852 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCN(CCN2CCCS2(=O)=O)C1 ZINC000695077031 790687364 /nfs/dbraw/zinc/68/73/64/790687364.db2.gz MYWZTHQMUBOGHN-MNOVXSKESA-N 2 0 261.391 -0.309 20 0 CBADRP CN(CCN1CCCS1(=O)=O)C1CC[NH2+]CC1 ZINC000695042704 790687836 /nfs/dbraw/zinc/68/78/36/790687836.db2.gz PXSDBBCCLRTIGP-UHFFFAOYSA-N 2 0 261.391 -0.294 20 0 CBADRP C[C@H](CCNS(=O)(=O)N1CC[NH2+]CC1)[NH+](C)C ZINC000697878103 790694121 /nfs/dbraw/zinc/69/41/21/790694121.db2.gz SBROISZOECEFEK-SNVBAGLBSA-N 2 0 264.395 -0.934 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3COCC[NH2+]3)C[C@]2(C)C1 ZINC000702274914 790722197 /nfs/dbraw/zinc/72/21/97/790722197.db2.gz FNSMUAOBMSNOEW-BZPMIXESSA-N 2 0 267.373 -0.225 20 0 CBADRP C[NH+](C)CC1(O)CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000710562706 790741191 /nfs/dbraw/zinc/74/11/91/790741191.db2.gz OQGIDDOHZLCFIL-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720842922 790772968 /nfs/dbraw/zinc/77/29/68/790772968.db2.gz APXJLQCWVVSLJY-HBNTYKKESA-N 2 0 299.337 -0.253 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)CCn2ccnn2)CC1 ZINC000721880589 790785095 /nfs/dbraw/zinc/78/50/95/790785095.db2.gz KFEALNVDYJKXRN-UHFFFAOYSA-N 2 0 266.349 -0.793 20 0 CBADRP O=S(=O)(NC1CC[NH+](C2CC2)CC1)C1C[NH2+]C1 ZINC000722218561 790788909 /nfs/dbraw/zinc/78/89/09/790788909.db2.gz DKHPFKGVEKFSTR-UHFFFAOYSA-N 2 0 259.375 -0.496 20 0 CBADRP C[C@@H]1C[N@H+](Cc2nc(N)nc(N(C)C)n2)C[C@H]1CC[NH3+] ZINC000723886145 790801044 /nfs/dbraw/zinc/80/10/44/790801044.db2.gz HLDAAQWKXKKCFZ-NXEZZACHSA-N 2 0 279.392 -0.064 20 0 CBADRP CC1(C)NC(=O)N(CC[N@@H+]2CC[C@@H](CC[NH3+])C2)C1=O ZINC000723679366 790801576 /nfs/dbraw/zinc/80/15/76/790801576.db2.gz AWEWEUINCGXORF-SNVBAGLBSA-N 2 0 268.361 -0.013 20 0 CBADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000723672849 790802017 /nfs/dbraw/zinc/80/20/17/790802017.db2.gz SMCKJWBHEMKMJU-NWDGAFQWSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1CC[NH3+] ZINC000723887015 790802066 /nfs/dbraw/zinc/80/20/66/790802066.db2.gz PFCOGIOCTFFVBY-GHMZBOCLSA-N 2 0 280.372 -0.499 20 0 CBADRP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](CC[NH3+])C2)CC1 ZINC000723694733 790802434 /nfs/dbraw/zinc/80/24/34/790802434.db2.gz HRZRLXHNKRMIQM-CYBMUJFWSA-N 2 0 282.388 -0.652 20 0 CBADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000723672684 790802916 /nfs/dbraw/zinc/80/29/16/790802916.db2.gz QRFLDKDEJIZOLB-VIFPVBQESA-N 2 0 254.334 -0.355 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724599511 790809502 /nfs/dbraw/zinc/80/95/02/790809502.db2.gz LBDKWDIBKOMJFH-AVGNSLFASA-N 2 0 258.362 -0.042 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000724937529 790813071 /nfs/dbraw/zinc/81/30/71/790813071.db2.gz VNLUDWLCRXDZGI-OLZOCXBDSA-N 2 0 285.388 -0.421 20 0 CBADRP C[NH+](C)CCCN[C@H]1C(=O)NCC12CCOCC2 ZINC000823692390 790848230 /nfs/dbraw/zinc/84/82/30/790848230.db2.gz VJHFJJXZKMENJI-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC000923525275 790923324 /nfs/dbraw/zinc/92/33/24/790923324.db2.gz DQSLMGZDYNHDBO-AAEUAGOBSA-N 2 0 271.361 -0.223 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001022068035 790985996 /nfs/dbraw/zinc/98/59/96/790985996.db2.gz CUIBSZQGWVKMAL-FVCCEPFGSA-N 2 0 296.415 -0.030 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001022089198 790989746 /nfs/dbraw/zinc/98/97/46/790989746.db2.gz GLXBMCGFIJFVFO-TUAOUCFPSA-N 2 0 280.372 -0.950 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001022291936 791002373 /nfs/dbraw/zinc/00/23/73/791002373.db2.gz IAOIWVBUCNDQOB-XQHKEYJVSA-N 2 0 296.415 -0.029 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC001022646793 791039230 /nfs/dbraw/zinc/03/92/30/791039230.db2.gz VELBDMSCVWMLFE-PHIMTYICSA-N 2 0 268.361 -0.950 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001022712942 791040833 /nfs/dbraw/zinc/04/08/33/791040833.db2.gz DJMIOVXUAHXKJE-SDDRHHMPSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022712455 791040983 /nfs/dbraw/zinc/04/09/83/791040983.db2.gz QRLOIWRGLKNLGF-UTUOFQBUSA-N 2 0 255.362 -0.300 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077023718 805673648 /nfs/dbraw/zinc/67/36/48/805673648.db2.gz PIGKKRFPSNMMSM-DDHJBXDOSA-N 2 0 255.362 -0.492 20 0 CBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@@H]1CCOC1 ZINC001147893706 814924236 /nfs/dbraw/zinc/92/42/36/814924236.db2.gz RQJBDZATTWLHSJ-LBPRGKRZSA-N 2 0 273.377 -0.693 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147886583 814924307 /nfs/dbraw/zinc/92/43/07/814924307.db2.gz XZPZTGJQOKBMBB-RYUDHWBXSA-N 2 0 273.377 -0.959 20 0 CBADRP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077570811 805751251 /nfs/dbraw/zinc/75/12/51/805751251.db2.gz AAAKLUHFXWYTLD-IGQOVBAYSA-N 2 0 299.415 -0.476 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077619078 805756015 /nfs/dbraw/zinc/75/60/15/805756015.db2.gz ZPDMZSNUHVKLOT-VXGBXAGGSA-N 2 0 255.362 -0.491 20 0 CBADRP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618209 805756796 /nfs/dbraw/zinc/75/67/96/805756796.db2.gz BDZNIJDDQFBXIO-CHWSQXEVSA-N 2 0 269.389 -0.102 20 0 CBADRP COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618385 805757076 /nfs/dbraw/zinc/75/70/76/805757076.db2.gz GVQXSFCGMFPURG-IACUBPJLSA-N 2 0 299.415 -0.476 20 0 CBADRP COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618386 805757383 /nfs/dbraw/zinc/75/73/83/805757383.db2.gz GVQXSFCGMFPURG-MRVWCRGKSA-N 2 0 299.415 -0.476 20 0 CBADRP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618596 805757510 /nfs/dbraw/zinc/75/75/10/805757510.db2.gz NGXWSOPHKUPKGZ-CHWSQXEVSA-N 2 0 269.389 -0.101 20 0 CBADRP CC(C)OCC[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147893710 814924771 /nfs/dbraw/zinc/92/47/71/814924771.db2.gz RRSKOJIZRLLCOE-UHFFFAOYSA-N 2 0 275.393 -0.305 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCC3CC3)C[C@H]2O)C1 ZINC001078174128 805850101 /nfs/dbraw/zinc/85/01/01/805850101.db2.gz CBRCKVONMKBQGQ-BFHYXJOUSA-N 2 0 281.400 -0.101 20 0 CBADRP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078175741 805851488 /nfs/dbraw/zinc/85/14/88/805851488.db2.gz KPIVKABHVBTLOZ-QJPTWQEYSA-N 2 0 255.362 -0.492 20 0 CBADRP C[C@@H](CCNC(=O)CC[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001078200331 805857389 /nfs/dbraw/zinc/85/73/89/805857389.db2.gz TWWQOEMCIPGMEZ-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079489855 805920585 /nfs/dbraw/zinc/92/05/85/805920585.db2.gz QOPSRNHJIILOIR-JHJVBQTASA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079707596 805942070 /nfs/dbraw/zinc/94/20/70/805942070.db2.gz MAFZOKRVLSULPN-MRVWCRGKSA-N 2 0 281.400 -0.243 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079707595 805942433 /nfs/dbraw/zinc/94/24/33/805942433.db2.gz MAFZOKRVLSULPN-KWCYVHTRSA-N 2 0 281.400 -0.243 20 0 CBADRP CCCC[C@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001147994534 814927331 /nfs/dbraw/zinc/92/73/31/814927331.db2.gz ITRGNFOTBHUQCR-LBPRGKRZSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080782774 806009763 /nfs/dbraw/zinc/00/97/63/806009763.db2.gz AMRPUMNSELGCBV-JHJVBQTASA-N 2 0 269.389 -0.243 20 0 CBADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081673115 806113642 /nfs/dbraw/zinc/11/36/42/806113642.db2.gz XZEVRVPIDQDRKZ-MGPQQGTHSA-N 2 0 297.399 -0.864 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001147994745 814929212 /nfs/dbraw/zinc/92/92/12/814929212.db2.gz NWUIZOLMRNBLQY-SNVBAGLBSA-N 2 0 268.361 -0.948 20 0 CBADRP CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328795 806164864 /nfs/dbraw/zinc/16/48/64/806164864.db2.gz LUVPIIBFTRSQFY-YNEHKIRRSA-N 2 0 297.399 -0.722 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC(N)=O ZINC001082596339 806186882 /nfs/dbraw/zinc/18/68/82/806186882.db2.gz GNNLYKSKLYYNII-UTUOFQBUSA-N 2 0 282.388 -0.608 20 0 CBADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001082724856 806193854 /nfs/dbraw/zinc/19/38/54/806193854.db2.gz PRFGIYYQQRFCGR-NQBHXWOUSA-N 2 0 284.404 -0.506 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(N)=O ZINC001082862086 806196551 /nfs/dbraw/zinc/19/65/51/806196551.db2.gz YDEFGDFZCQMPFH-GRYCIOLGSA-N 2 0 282.388 -0.750 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)C(N)=O ZINC001082863516 806197177 /nfs/dbraw/zinc/19/71/77/806197177.db2.gz GUUUJFZXDSQCKE-IJLUTSLNSA-N 2 0 294.399 -0.608 20 0 CBADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001082921541 806198417 /nfs/dbraw/zinc/19/84/17/806198417.db2.gz SPKZMNLOXALYAO-FRRDWIJNSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083275224 806246252 /nfs/dbraw/zinc/24/62/52/806246252.db2.gz TUZSXNWFXJJRAQ-FRRDWIJNSA-N 2 0 267.373 -0.130 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148051789 814930193 /nfs/dbraw/zinc/93/01/93/814930193.db2.gz VQGMMGUCNJHULT-UHFFFAOYSA-N 2 0 279.344 -0.787 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001083455460 806332332 /nfs/dbraw/zinc/33/23/32/806332332.db2.gz DNEOUVJFJAZPMV-RDBSUJKOSA-N 2 0 299.415 -0.597 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001083455459 806332935 /nfs/dbraw/zinc/33/29/35/806332935.db2.gz DNEOUVJFJAZPMV-MCIONIFRSA-N 2 0 299.415 -0.597 20 0 CBADRP COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472352 806335330 /nfs/dbraw/zinc/33/53/30/806335330.db2.gz SQZXAKLYXRPNQW-LPWJVIDDSA-N 2 0 285.388 -0.866 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466272 806336165 /nfs/dbraw/zinc/33/61/65/806336165.db2.gz NNJJCJNBYXCWJT-UPJWGTAASA-N 2 0 267.373 -0.491 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2O)CC1 ZINC001083749609 806421523 /nfs/dbraw/zinc/42/15/23/806421523.db2.gz IHRVJVGYTSOALV-OLZOCXBDSA-N 2 0 287.379 -0.151 20 0 CBADRP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749504 806422316 /nfs/dbraw/zinc/42/23/16/806422316.db2.gz CZEOVENHFKDSST-YUTCNCBUSA-N 2 0 299.415 -0.476 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001148051592 814930850 /nfs/dbraw/zinc/93/08/50/814930850.db2.gz PGAQJDQNTOHGPA-NSHDSACASA-N 2 0 291.355 -0.645 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083850965 806447752 /nfs/dbraw/zinc/44/77/52/806447752.db2.gz FBGXOKKPIPFVHV-OLZOCXBDSA-N 2 0 295.387 -0.761 20 0 CBADRP COCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083954228 806466985 /nfs/dbraw/zinc/46/69/85/806466985.db2.gz QCVNCCXEYDVSAL-XQQFMLRXSA-N 2 0 285.388 -0.864 20 0 CBADRP CCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083954920 806468286 /nfs/dbraw/zinc/46/82/86/806468286.db2.gz OLCVVOHTPUSXRJ-XQQFMLRXSA-N 2 0 269.389 -0.101 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2O)C1 ZINC001083953463 806468536 /nfs/dbraw/zinc/46/85/36/806468536.db2.gz UEPJMOUUFSJOPV-UPJWGTAASA-N 2 0 287.379 -0.151 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCC3)C[C@@H]2O)C1 ZINC001084053903 806480790 /nfs/dbraw/zinc/48/07/90/806480790.db2.gz PATZNLMDTVFOGD-MCIONIFRSA-N 2 0 281.400 -0.101 20 0 CBADRP CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084054152 806482206 /nfs/dbraw/zinc/48/22/06/806482206.db2.gz YLVXEMLSZOUZOZ-XQQFMLRXSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CCO)C[C@H]32)CC[N@@H+]1C ZINC001084355073 806515869 /nfs/dbraw/zinc/51/58/69/806515869.db2.gz DJOLHWYPVDIHTG-AAVRWANBSA-N 2 0 281.400 -0.148 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174353 814931661 /nfs/dbraw/zinc/93/16/61/814931661.db2.gz KJOMVNRQCMJPSO-GFCCVEGCSA-N 2 0 296.415 -0.264 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCO)[C@H]3C2)C1 ZINC001085093259 806546162 /nfs/dbraw/zinc/54/61/62/806546162.db2.gz PFUFGNCFYMEQBA-MCIONIFRSA-N 2 0 281.400 -0.147 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)C1 ZINC001085333057 806553061 /nfs/dbraw/zinc/55/30/61/806553061.db2.gz XNELCXZGWJLRKT-YNEHKIRRSA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCO)C1 ZINC001085422734 806554969 /nfs/dbraw/zinc/55/49/69/806554969.db2.gz DURZBPHEXWCWGS-JHJVBQTASA-N 2 0 269.389 -0.053 20 0 CBADRP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085598207 806584926 /nfs/dbraw/zinc/58/49/26/806584926.db2.gz OYUZMADOMHIQPG-KGLIPLIRSA-N 2 0 281.400 -0.147 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174354 814932033 /nfs/dbraw/zinc/93/20/33/814932033.db2.gz KJOMVNRQCMJPSO-LBPRGKRZSA-N 2 0 296.415 -0.264 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001022973533 798870474 /nfs/dbraw/zinc/87/04/74/798870474.db2.gz OBJMAIPRRJPRPR-NDBYEHHHSA-N 2 0 294.399 -0.547 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001022976637 798870898 /nfs/dbraw/zinc/87/08/98/798870898.db2.gz CMZLSADQFOBLER-FVCCEPFGSA-N 2 0 296.415 -0.171 20 0 CBADRP Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023084327 798879706 /nfs/dbraw/zinc/87/97/06/798879706.db2.gz NLCVJUHIIOVYQO-UTUOFQBUSA-N 2 0 292.387 -0.496 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001023083929 798880461 /nfs/dbraw/zinc/88/04/61/798880461.db2.gz DPZISFOFMXPMKM-FVCCEPFGSA-N 2 0 294.399 -0.547 20 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CBADRP C[C@H](O)C[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031947800 799566018 /nfs/dbraw/zinc/56/60/18/799566018.db2.gz KMIFJODWODVGMR-NSHDSACASA-N 2 0 269.389 -0.243 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCO)C1 ZINC001032731503 799662500 /nfs/dbraw/zinc/66/25/00/799662500.db2.gz LRWUKJQKMJZINV-IHRRRGAJSA-N 2 0 281.400 -0.004 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCO)C1 ZINC001032731504 799662565 /nfs/dbraw/zinc/66/25/65/799662565.db2.gz LRWUKJQKMJZINV-RDBSUJKOSA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032828608 799674095 /nfs/dbraw/zinc/67/40/95/799674095.db2.gz XSEUILGLQGLRLC-GRYCIOLGSA-N 2 0 255.362 -0.348 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032838430 799677576 /nfs/dbraw/zinc/67/75/76/799677576.db2.gz XSEUILGLQGLRLC-IJLUTSLNSA-N 2 0 255.362 -0.348 20 0 CBADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCO)C1 ZINC001032959108 799697726 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/nfs/dbraw/zinc/36/93/98/801369398.db2.gz RRVODYSFGVLBFJ-WFASDCNBSA-N 2 0 294.399 -0.510 20 0 CBADRP O=C(Cc1ncc[nH]1)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001041758960 801419051 /nfs/dbraw/zinc/41/90/51/801419051.db2.gz OFKXRBFPAOVOBL-AWEZNQCLSA-N 2 0 278.356 -0.131 20 0 CBADRP O=C(N1CC[C@@]2(CC[N@@H+](CCO)C2)C1)C12CC[NH+](CC1)C2 ZINC001041789610 801421609 /nfs/dbraw/zinc/42/16/09/801421609.db2.gz RYTCOZYISPSTMO-OAHLLOKOSA-N 2 0 293.411 -0.001 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CC(N)=O)C3)C2)C1 ZINC001041829570 801421663 /nfs/dbraw/zinc/42/16/63/801421663.db2.gz YBIHLWYNQIPNMA-IUODEOHRSA-N 2 0 294.399 -0.652 20 0 CBADRP NC(=O)CN1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001042358499 801458945 /nfs/dbraw/zinc/45/89/45/801458945.db2.gz RVQJDBAMBUFLOV-OLZOCXBDSA-N 2 0 294.399 -0.510 20 0 CBADRP Cc1cncn1CC(=O)N(C)C1CN(C[C@H](C)O)C1 ZINC001043358697 801558287 /nfs/dbraw/zinc/55/82/87/801558287.db2.gz ZIPAOSTZGLGLFW-NSHDSACASA-N 2 0 266.345 -0.285 20 0 CBADRP Cc1cncn1CC(=O)N(C)C1CN(CCCO)C1 ZINC001043358351 801558708 /nfs/dbraw/zinc/55/87/08/801558708.db2.gz UXZCBHHDJKICFZ-UHFFFAOYSA-N 2 0 266.345 -0.283 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001044825598 801671673 /nfs/dbraw/zinc/67/16/73/801671673.db2.gz WBCXSCCUWJWFAN-VXGBXAGGSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C[NH+]1CCCC1 ZINC001044858272 801672869 /nfs/dbraw/zinc/67/28/69/801672869.db2.gz QZNKEZPLCQHCDJ-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC2(C)CC[NH+](CCO)CC2)C1 ZINC001045640221 801707561 /nfs/dbraw/zinc/70/75/61/801707561.db2.gz IYWHCSCMUCONHQ-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](CCCO)C[C@@H]2O)CC[N@@H+]1C ZINC001047384885 801857284 /nfs/dbraw/zinc/85/72/84/801857284.db2.gz LSZJOVDXAVLFCB-MQYQWHSLSA-N 2 0 299.415 -0.788 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047529313 801893962 /nfs/dbraw/zinc/89/39/62/801893962.db2.gz YDFOVVJAZJVBHR-RDBSUJKOSA-N 2 0 299.415 -0.643 20 0 CBADRP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001047528725 801895492 /nfs/dbraw/zinc/89/54/92/801895492.db2.gz YWIQAZRLJGOSCQ-AGIUHOORSA-N 2 0 269.389 -0.148 20 0 CBADRP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001047528363 801895697 /nfs/dbraw/zinc/89/56/97/801895697.db2.gz PCQLJVNOUPSSDR-IHRRRGAJSA-N 2 0 299.415 -0.379 20 0 CBADRP CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047545710 801898525 /nfs/dbraw/zinc/89/85/25/801898525.db2.gz WDBQJNDJJZPXNL-RYUDHWBXSA-N 2 0 266.345 -0.134 20 0 CBADRP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001047595657 801908672 /nfs/dbraw/zinc/90/86/72/801908672.db2.gz IRWKXNIHYMPLJA-RDBSUJKOSA-N 2 0 299.415 -0.522 20 0 CBADRP CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001047628605 801912664 /nfs/dbraw/zinc/91/26/64/801912664.db2.gz HLKRSKWHXASOPW-AGIUHOORSA-N 2 0 269.389 -0.148 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCO)C[C@@H]2C1 ZINC001048724396 801959236 /nfs/dbraw/zinc/95/92/36/801959236.db2.gz YZJHWJCNIWHNLX-MJBXVCDLSA-N 2 0 281.400 -0.147 20 0 CBADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1)C1CC1 ZINC001048863956 801976430 /nfs/dbraw/zinc/97/64/30/801976430.db2.gz QXGFSOCJJYVBCK-SCRDCRAPSA-N 2 0 294.399 -0.798 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1 ZINC001048894522 801978635 /nfs/dbraw/zinc/97/86/35/801978635.db2.gz DTOHWGDOOVHZFV-XQQFMLRXSA-N 2 0 294.399 -0.654 20 0 CBADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)CC1 ZINC001049025192 801993389 /nfs/dbraw/zinc/99/33/89/801993389.db2.gz ONTXCTASUCVOJZ-BETUJISGSA-N 2 0 294.399 -0.796 20 0 CBADRP C[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049212590 802006510 /nfs/dbraw/zinc/00/65/10/802006510.db2.gz CLBXVPKQTLGLDD-QNWHQSFQSA-N 2 0 294.399 -0.798 20 0 CBADRP C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001049217337 802009325 /nfs/dbraw/zinc/00/93/25/802009325.db2.gz MYWJDFNYNVSTBR-MELADBBJSA-N 2 0 281.400 -0.147 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(N)=O)CC3)C1 ZINC001050753944 802071703 /nfs/dbraw/zinc/07/17/03/802071703.db2.gz JKLZKNINRKZUPM-GFCCVEGCSA-N 2 0 294.399 -0.652 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](CCO)CC3)C1 ZINC001050753235 802072228 /nfs/dbraw/zinc/07/22/28/802072228.db2.gz FYIANKMWLGPRGU-CYBMUJFWSA-N 2 0 281.400 -0.145 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050753870 802072606 /nfs/dbraw/zinc/07/26/06/802072606.db2.gz HBZNSRHBVIUFFH-UHFFFAOYSA-N 2 0 281.400 -0.001 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CC(N)=O)CC2)CC[N@@H+]1C ZINC001052391741 802197869 /nfs/dbraw/zinc/19/78/69/802197869.db2.gz QVICENFTMJVRDG-JHJVBQTASA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CC(N)=O)CC1 ZINC001052712655 802214177 /nfs/dbraw/zinc/21/41/77/802214177.db2.gz MQLWOHSBCSINEN-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CCO)CC2)C1 ZINC001052934284 802224795 /nfs/dbraw/zinc/22/47/95/802224795.db2.gz ISNIOZHKSBYXDK-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1)[NH+](C)C ZINC001054298452 802333047 /nfs/dbraw/zinc/33/30/47/802333047.db2.gz YZCCFHXONFNJEC-AGIUHOORSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148216665 814934942 /nfs/dbraw/zinc/93/49/42/814934942.db2.gz QPAJVYXBWRXJQJ-LBPRGKRZSA-N 2 0 296.415 -0.264 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC001118043267 812465675 /nfs/dbraw/zinc/46/56/75/812465675.db2.gz KEVGDWYOZBYMFV-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP [NH3+]C[C@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H]1C(F)(F)F ZINC001119618768 812836341 /nfs/dbraw/zinc/83/63/41/812836341.db2.gz RGRCZFKPDGKIFH-CIQUZCHMSA-N 2 0 267.295 -0.094 20 0 CBADRP CSC[C@H](O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001119682220 812864166 /nfs/dbraw/zinc/86/41/66/812864166.db2.gz BFGKSMKCUZLNLW-NWDGAFQWSA-N 2 0 259.419 -0.310 20 0 CBADRP O=C(CN1CC[C@@]2(C1)CCCC[NH2+]2)N1CC[NH2+]CC1 ZINC001119683595 812865871 /nfs/dbraw/zinc/86/58/71/812865871.db2.gz CZXOQIQPGKBVOU-CQSZACIVSA-N 2 0 266.389 -0.364 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001120243931 812940723 /nfs/dbraw/zinc/94/07/23/812940723.db2.gz IJSYSCUQAUJRNC-GXTWGEPZSA-N 2 0 268.405 -0.133 20 0 CBADRP C[C@]1(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[C@H](O)C[NH2+]1 ZINC001121931131 813091171 /nfs/dbraw/zinc/09/11/71/813091171.db2.gz FCKRZJSRPAIDOK-BYNIDDHOSA-N 2 0 267.373 -0.315 20 0 CBADRP CC1([NH3+])CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001121933356 813091726 /nfs/dbraw/zinc/09/17/26/813091726.db2.gz PSACAARQROMUAK-LLVKDONJSA-N 2 0 282.388 -0.477 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1C[NH2+]CCN1C ZINC001122018549 813104977 /nfs/dbraw/zinc/10/49/77/813104977.db2.gz POLQDGQRLWRRRJ-DCAQKATOSA-N 2 0 258.341 -0.952 20 0 CBADRP [NH3+]Cc1nc(CC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cs1 ZINC001122103191 813117781 /nfs/dbraw/zinc/11/77/81/813117781.db2.gz GQCWSJSHNSAOBS-CBAPKCEASA-N 2 0 252.343 -0.283 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)NC[C@H]2C[C@H]([NH3+])C2)n1 ZINC001122107673 813118005 /nfs/dbraw/zinc/11/80/05/813118005.db2.gz JBVQKXMNTSCBMR-MGCOHNPYSA-N 2 0 251.334 -0.301 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001122107307 813118192 /nfs/dbraw/zinc/11/81/92/813118192.db2.gz BEPYTSLOKWVUCZ-RNJOBUHISA-N 2 0 266.389 -0.463 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001122174842 813128268 /nfs/dbraw/zinc/12/82/68/813128268.db2.gz ITFRPBXDUYIIGU-SRVKXCTJSA-N 2 0 257.378 -0.067 20 0 CBADRP O=C(N1CCC[C@@H]([NH2+]CCO)C1)[C@]1(F)CC[NH2+]C1 ZINC001122173744 813128299 /nfs/dbraw/zinc/12/82/99/813128299.db2.gz LJWFEZNXNUGNBD-PWSUYJOCSA-N 2 0 259.325 -0.739 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC001122367755 813154313 /nfs/dbraw/zinc/15/43/13/813154313.db2.gz BUKDQBBXEHKADQ-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC001122426712 813163936 /nfs/dbraw/zinc/16/39/36/813163936.db2.gz MZGLLKCJYBHLIP-MMWGEVLESA-N 2 0 255.362 -0.411 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129357370 813837470 /nfs/dbraw/zinc/83/74/70/813837470.db2.gz KCOQBXIKXKKKFE-JTQLQIEISA-N 2 0 270.377 -0.689 20 0 CBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294723 814236927 /nfs/dbraw/zinc/23/69/27/814236927.db2.gz QOVMZNQRISCQBC-NSHDSACASA-N 2 0 272.393 -0.441 20 0 CBADRP COc1nccc(C[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133294358 814237144 /nfs/dbraw/zinc/23/71/44/814237144.db2.gz FLERGUWFGLSWSZ-UHFFFAOYSA-N 2 0 281.360 -0.357 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CCOCCO)C1 ZINC001133845269 814304859 /nfs/dbraw/zinc/30/48/59/814304859.db2.gz ADQWZYSBPZCJNU-LBPRGKRZSA-N 2 0 273.377 -0.957 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CCOCCO)C1 ZINC001133845268 814305100 /nfs/dbraw/zinc/30/51/00/814305100.db2.gz ADQWZYSBPZCJNU-GFCCVEGCSA-N 2 0 273.377 -0.957 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)CCCC[NH+](C)C)C(=O)N(C)C ZINC001148365190 814941736 /nfs/dbraw/zinc/94/17/36/814941736.db2.gz KQUQYRHLOULLQR-GFCCVEGCSA-N 2 0 286.420 -0.099 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cccc(C(N)=O)c1 ZINC001148545715 814949395 /nfs/dbraw/zinc/94/93/95/814949395.db2.gz VAHPPWMXOROYJT-UHFFFAOYSA-N 2 0 277.328 -0.140 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](CC)C(N)=O ZINC001148577868 814951308 /nfs/dbraw/zinc/95/13/08/814951308.db2.gz HEHPSFZCISNLTP-NSHDSACASA-N 2 0 272.393 -0.312 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001148573748 814951533 /nfs/dbraw/zinc/95/15/33/814951533.db2.gz YDNAKNIRGSJQOR-NSHDSACASA-N 2 0 298.387 -0.771 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001148571172 814951677 /nfs/dbraw/zinc/95/16/77/814951677.db2.gz YXFTWBHNAFURNZ-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CCOCCO ZINC001148638477 814953684 /nfs/dbraw/zinc/95/36/84/814953684.db2.gz ISJFUJOZHBJZPN-UHFFFAOYSA-N 2 0 261.366 -0.957 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001148643225 814953706 /nfs/dbraw/zinc/95/37/06/814953706.db2.gz VLTVIGFIEGQJCL-UHFFFAOYSA-N 2 0 293.433 -0.531 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001148638819 814953836 /nfs/dbraw/zinc/95/38/36/814953836.db2.gz TVDMDEQGJDFTJX-UHFFFAOYSA-N 2 0 286.420 -0.051 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001148651577 814956204 /nfs/dbraw/zinc/95/62/04/814956204.db2.gz JVBILMQSJRTMDF-UHFFFAOYSA-N 2 0 269.389 -0.145 20 0 CBADRP N=c1cc(C[NH3+])ncn1C(=O)c1ccc(NC(N)=[NH2+])cc1 ZINC001148651717 814956611 /nfs/dbraw/zinc/95/66/11/814956611.db2.gz KNCSUQRWQDLEKI-UHFFFAOYSA-N 2 0 285.311 -0.185 20 0 CBADRP C[C@H](C[NH2+]CCO)NC(=O)[C@@H]1COCCN1C1CCCC1 ZINC001321627761 803793240 /nfs/dbraw/zinc/79/32/40/803793240.db2.gz LVKHSXPDYZQSMP-OCCSQVGLSA-N 2 0 299.415 -0.284 20 0 CBADRP CN(C)C(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001322442569 803897023 /nfs/dbraw/zinc/89/70/23/803897023.db2.gz MTLSZTNUMYDXLW-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CCC[NH2+]CCO ZINC001322836279 803946082 /nfs/dbraw/zinc/94/60/82/803946082.db2.gz PMEYISULDGAKEC-ZDUSSCGKSA-N 2 0 287.404 -0.615 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CCC[NH2+]CCO ZINC001322836278 803946304 /nfs/dbraw/zinc/94/63/04/803946304.db2.gz PMEYISULDGAKEC-CYBMUJFWSA-N 2 0 287.404 -0.615 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CCO)C2CC2)CC[N@@H+]1C ZINC001322999552 803964127 /nfs/dbraw/zinc/96/41/27/803964127.db2.gz IUSPCOKKCYFOEO-RAIGVLPGSA-N 2 0 269.389 -0.197 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CCO)C2CC2)CC[N@@H+]1C ZINC001322999553 803964317 /nfs/dbraw/zinc/96/43/17/803964317.db2.gz IUSPCOKKCYFOEO-RTXFEEFZSA-N 2 0 269.389 -0.197 20 0 CBADRP CN(C)C(=O)CN1CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001323340092 804012648 /nfs/dbraw/zinc/01/26/48/804012648.db2.gz LOVZARKEIJOKDI-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1C[C@@H](C)O ZINC001323359081 804014657 /nfs/dbraw/zinc/01/46/57/804014657.db2.gz ZBFGFOVCDVBINS-VXGBXAGGSA-N 2 0 257.378 -0.102 20 0 CBADRP Cc1nccn1CC(=O)NC[C@@H]1CCN1CCOCCO ZINC001323358694 804015022 /nfs/dbraw/zinc/01/50/22/804015022.db2.gz WNKJQYXHUQHNAH-ZDUSSCGKSA-N 2 0 296.371 -0.609 20 0 CBADRP C[NH+]1CCC(CC(=O)NCC2([NH2+]CCO)CC2)CC1 ZINC001323566849 804044053 /nfs/dbraw/zinc/04/40/53/804044053.db2.gz KNOMISINUBJNSH-UHFFFAOYSA-N 2 0 269.389 -0.051 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC001325380791 804281060 /nfs/dbraw/zinc/28/10/60/804281060.db2.gz PJASOYKVKFFZBP-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001325371487 804281380 /nfs/dbraw/zinc/28/13/80/804281380.db2.gz XRKCUPBEBGJZRV-YPMHNXCESA-N 2 0 296.415 -0.204 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001325705098 804307475 /nfs/dbraw/zinc/30/74/75/804307475.db2.gz RXADNDOYDJGVCN-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC001325712777 804307722 /nfs/dbraw/zinc/30/77/22/804307722.db2.gz NPUWDGUJVXFVLU-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@@H]2C[N@H+](CCO)CCCO2)CC1 ZINC001150192896 815020677 /nfs/dbraw/zinc/02/06/77/815020677.db2.gz JIRBECQLXCWXAH-CYBMUJFWSA-N 2 0 299.415 -0.472 20 0 CBADRP C[NH+](C)CCCC(=O)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001150193478 815020740 /nfs/dbraw/zinc/02/07/40/815020740.db2.gz OKFYBKPCZVCOHV-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP C[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241557 815021717 /nfs/dbraw/zinc/02/17/17/815021717.db2.gz PXVKVFPSFYTLQK-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[N@@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150589842 815036347 /nfs/dbraw/zinc/03/63/47/815036347.db2.gz WXUUUYNEEOKIDX-CYBMUJFWSA-N 2 0 287.404 -0.208 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCO)CCCO1 ZINC001150624571 815037371 /nfs/dbraw/zinc/03/73/71/815037371.db2.gz BTXMDXHCAYNCST-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H]1C[N@H+](CCCO)CCCO1 ZINC001150715400 815041379 /nfs/dbraw/zinc/04/13/79/815041379.db2.gz KHVDZPGEUBTKFB-CQSZACIVSA-N 2 0 299.415 -0.328 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049378 815052594 /nfs/dbraw/zinc/05/25/94/815052594.db2.gz MTZDZZQZOWTCKT-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP Cn1cc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001151049186 815053002 /nfs/dbraw/zinc/05/30/02/815053002.db2.gz JLKSJXBIGFMFKW-GFCCVEGCSA-N 2 0 265.361 -0.422 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151058410 815053765 /nfs/dbraw/zinc/05/37/65/815053765.db2.gz ZASHBLGOKBMMEM-LBPRGKRZSA-N 2 0 273.377 -0.693 20 0 CBADRP CCC(C)(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049581 815054739 /nfs/dbraw/zinc/05/47/39/815054739.db2.gz SNTZYCSATUZZPW-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151065138 815055432 /nfs/dbraw/zinc/05/54/32/815055432.db2.gz GZPHMXMTESZCLN-VXGBXAGGSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001151072937 815055901 /nfs/dbraw/zinc/05/59/01/815055901.db2.gz ATSXJPXGJKEMTE-GHMZBOCLSA-N 2 0 282.388 -0.689 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCOC2)C1 ZINC001151065844 815056026 /nfs/dbraw/zinc/05/60/26/815056026.db2.gz NPYDRZXNBYEXGR-NWDGAFQWSA-N 2 0 255.362 -0.320 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCCO[C@@H]2CCOC2)C1 ZINC001151065692 815056386 /nfs/dbraw/zinc/05/63/86/815056386.db2.gz MVAWXHSTFAZTFI-ZIAGYGMSSA-N 2 0 299.415 -0.161 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001151066575 815057222 /nfs/dbraw/zinc/05/72/22/815057222.db2.gz WMYJSNOGIPPRLA-GFCCVEGCSA-N 2 0 282.388 -0.830 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001151066156 815057363 /nfs/dbraw/zinc/05/73/63/815057363.db2.gz RBQQVDHDBHKDIP-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151074063 815058556 /nfs/dbraw/zinc/05/85/56/815058556.db2.gz UPBDTOKNANHQHB-OLZOCXBDSA-N 2 0 298.431 -0.195 20 0 CBADRP CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151073934 815058902 /nfs/dbraw/zinc/05/89/02/815058902.db2.gz SSPBUMNAFYIFML-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151074194 815059142 /nfs/dbraw/zinc/05/91/42/815059142.db2.gz XDXCWWHIQGYGOL-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151097756 815060375 /nfs/dbraw/zinc/06/03/75/815060375.db2.gz RQIARPHCKGRUPR-UHFFFAOYSA-N 2 0 270.377 -0.686 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC[NH2+][C@H]1CCCNC1=O ZINC001151098080 815061036 /nfs/dbraw/zinc/06/10/36/815061036.db2.gz UHACUYHZEIGPPU-NSHDSACASA-N 2 0 268.361 -0.933 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]CCn1cccn1 ZINC001151101858 815062224 /nfs/dbraw/zinc/06/22/24/815062224.db2.gz YQZRBMQFRPYKGI-UHFFFAOYSA-N 2 0 265.361 -0.315 20 0 CBADRP CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151106532 815062329 /nfs/dbraw/zinc/06/23/29/815062329.db2.gz BBTCWMLGBZJXCB-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001151101125 815062480 /nfs/dbraw/zinc/06/24/80/815062480.db2.gz MZQAYAXQYYDTBW-CYBMUJFWSA-N 2 0 296.415 -0.296 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151098411 815062710 /nfs/dbraw/zinc/06/27/10/815062710.db2.gz ZUBMAKMVOPAEPZ-UHFFFAOYSA-N 2 0 266.349 -0.883 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072553846 805310915 /nfs/dbraw/zinc/31/09/15/805310915.db2.gz LHLNRKFJFGNZPS-OLZOCXBDSA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001072981959 805351991 /nfs/dbraw/zinc/35/19/91/805351991.db2.gz WURLXZSZJVERCV-QWHCGFSZSA-N 2 0 281.400 -0.289 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCCO)CCCO1 ZINC001073554178 805384367 /nfs/dbraw/zinc/38/43/67/805384367.db2.gz DNQRSMHQTWZIAZ-KBPBESRZSA-N 2 0 299.415 -0.330 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)CCC[NH+]1CCCCC1)C(N)=O ZINC001151361430 815073374 /nfs/dbraw/zinc/07/33/74/815073374.db2.gz GABVYDKIWMHKGQ-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[NH+](CCCO)CCCO2)C1 ZINC001073891325 805421843 /nfs/dbraw/zinc/42/18/43/805421843.db2.gz OJUIZOYRTAVJQT-KGLIPLIRSA-N 2 0 299.415 -0.472 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CCCO)CCCO2)C1 ZINC001073891327 805422583 /nfs/dbraw/zinc/42/25/83/805422583.db2.gz OJUIZOYRTAVJQT-ZIAGYGMSSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001074792955 805471768 /nfs/dbraw/zinc/47/17/68/805471768.db2.gz NAQCQNALCRDZKD-ZDEQEGDKSA-N 2 0 294.399 -0.452 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C)C(N)=O ZINC001074852941 805475041 /nfs/dbraw/zinc/47/50/41/805475041.db2.gz DCDSHVDIIITJHQ-MDZLAQPJSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@@H]2C)C1 ZINC001074878365 805475701 /nfs/dbraw/zinc/47/57/01/805475701.db2.gz PNGIECXZWCYWJL-WOPDTQHZSA-N 2 0 282.388 -0.608 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)[C@@H]1C)[NH+](C)C ZINC001074885646 805476011 /nfs/dbraw/zinc/47/60/11/805476011.db2.gz PYGWHATYDVANFW-CYDGBPFRSA-N 2 0 296.415 -0.206 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C)[NH+](C)C ZINC001074885373 805476415 /nfs/dbraw/zinc/47/64/15/805476415.db2.gz AACMEGOFMWLYJW-DCAQKATOSA-N 2 0 270.377 -0.609 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001075106893 805482909 /nfs/dbraw/zinc/48/29/09/805482909.db2.gz OHCOGRWGXSKHGG-DCAQKATOSA-N 2 0 268.361 -0.998 20 0 CBADRP [NH3+][C@@H](Cc1cscn1)C(=O)N1CCC([NH3+])CC1 ZINC001160504776 815631697 /nfs/dbraw/zinc/63/16/97/815631697.db2.gz PKDNXXBGUXMTKR-JTQLQIEISA-N 2 0 254.359 -0.037 20 0 CBADRP [NH3+]C1CCN(C(=O)[C@@H]2C[NH2+]C[C@@H]3CCO[C@@H]32)CC1 ZINC001160515595 815632800 /nfs/dbraw/zinc/63/28/00/815632800.db2.gz NWDBBTGEJPJQCW-WCQGTBRESA-N 2 0 253.346 -0.439 20 0 CBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001152138106 815107038 /nfs/dbraw/zinc/10/70/38/815107038.db2.gz RMNBJYHDOCSUDH-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152146395 815108450 /nfs/dbraw/zinc/10/84/50/815108450.db2.gz JICOLVZJSCPFDH-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP O=C(CCC[NH+]1CCCC1)NCC[NH2+][C@H]1CCCNC1=O ZINC001152223554 815111404 /nfs/dbraw/zinc/11/14/04/815111404.db2.gz MUWMGWNQFAHDJN-ZDUSSCGKSA-N 2 0 296.415 -0.153 20 0 CBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152439894 815120685 /nfs/dbraw/zinc/12/06/85/815120685.db2.gz UGTTWWCAURGNAK-LBPRGKRZSA-N 2 0 286.420 -0.053 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001152439428 815121535 /nfs/dbraw/zinc/12/15/35/815121535.db2.gz LULDBIRLMIQNSE-UHFFFAOYSA-N 2 0 270.377 -0.735 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001152433165 815121947 /nfs/dbraw/zinc/12/19/47/815121947.db2.gz VYXRZNZBSAZHHK-LBPRGKRZSA-N 2 0 294.403 -0.189 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001152451953 815122631 /nfs/dbraw/zinc/12/26/31/815122631.db2.gz NMEDOOCWGLUMIY-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCCO ZINC001152458616 815124001 /nfs/dbraw/zinc/12/40/01/815124001.db2.gz RRLNPLALJRSKPJ-LBPRGKRZSA-N 2 0 257.378 -0.051 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+]CC(N)=O)[NH+]1CCCCC1 ZINC001152480638 815124101 /nfs/dbraw/zinc/12/41/01/815124101.db2.gz YHYKVDFQZQDCSZ-CYBMUJFWSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCOCCO ZINC001152459142 815124303 /nfs/dbraw/zinc/12/43/03/815124303.db2.gz ZSRHLVSQCVHPDY-ZDUSSCGKSA-N 2 0 287.404 -0.425 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001152459118 815124327 /nfs/dbraw/zinc/12/43/27/815124327.db2.gz ZDADISFPNKRLRH-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP C[NH+](C)Cc1ccnc(N(CC[NH3+])S(C)(=O)=O)c1 ZINC001154771178 815239532 /nfs/dbraw/zinc/23/95/32/815239532.db2.gz SXOIEJRMGUNWOH-UHFFFAOYSA-N 2 0 272.374 -0.132 20 0 CBADRP [NH3+]Cc1cn(-c2ccc(N3CC[NH2+]CC3)nn2)cn1 ZINC001154906528 815248608 /nfs/dbraw/zinc/24/86/08/815248608.db2.gz JDFRLPBKAYLYLA-UHFFFAOYSA-N 2 0 259.317 -0.469 20 0 CBADRP F[C@@H]1C[NH2+][C@H](CNc2ccc(N3CC[NH2+]CC3)nn2)C1 ZINC001155033959 815257757 /nfs/dbraw/zinc/25/77/57/815257757.db2.gz UUKJJEVBQPWWBF-QWRGUYRKSA-N 2 0 280.351 -0.002 20 0 CBADRP C[NH+]1CCN(c2ccc(N[C@@H]3COC[C@@H]3[NH3+])nn2)CC1 ZINC001155345799 815278108 /nfs/dbraw/zinc/27/81/08/815278108.db2.gz BGFKPYDIQLBILY-WDEREUQCSA-N 2 0 278.360 -0.634 20 0 CBADRP [NH3+]Cc1cc(N2CCC[C@H](N3CC(C[NH3+])C3)C2)ncn1 ZINC001155373454 815279004 /nfs/dbraw/zinc/27/90/04/815279004.db2.gz QYCLALRCCSFCPD-ZDUSSCGKSA-N 2 0 276.388 -0.205 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@H](CCO)C1 ZINC001160610472 815645547 /nfs/dbraw/zinc/64/55/47/815645547.db2.gz DCMRVCHMCRZMAD-VXGBXAGGSA-N 2 0 267.373 -0.584 20 0 CBADRP c1cc(N2CC[NH2+]CC2)nnc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001155541569 815291603 /nfs/dbraw/zinc/29/16/03/815291603.db2.gz KBZGNBPHGWXCNZ-BXUZGUMPSA-N 2 0 290.371 -0.571 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ncnc3c2CC[NH2+]C3)N1 ZINC001155570781 815294262 /nfs/dbraw/zinc/29/42/62/815294262.db2.gz OPLZMSJJFCRICJ-MFKMUULPSA-N 2 0 274.328 -0.888 20 0 CBADRP Cc1cnc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)nc1C1C[NH2+]C1 ZINC001155581940 815298817 /nfs/dbraw/zinc/29/88/17/815298817.db2.gz WNDXASZOLIRFMZ-QMTHXVAHSA-N 2 0 288.355 -0.538 20 0 CBADRP c1nc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)cc(C2C[NH2+]C2)n1 ZINC001155641815 815302340 /nfs/dbraw/zinc/30/23/40/815302340.db2.gz CWTXXAPVDUIEFP-CDMKHQONSA-N 2 0 261.329 -0.295 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155790657 815311422 /nfs/dbraw/zinc/31/14/22/815311422.db2.gz LLPALFHWSAMVJE-VXGBXAGGSA-N 2 0 273.377 -0.816 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001155791033 815313677 /nfs/dbraw/zinc/31/36/77/815313677.db2.gz QZDHFDGTAJLRQU-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1cnon1 ZINC001155814756 815314371 /nfs/dbraw/zinc/31/43/71/815314371.db2.gz ZOTQAINZKFERPT-LLVKDONJSA-N 2 0 267.333 -0.240 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C)c1nnnn1C ZINC001155810947 815314742 /nfs/dbraw/zinc/31/47/42/815314742.db2.gz DFIOVBYUSNQZPT-QWRGUYRKSA-N 2 0 295.391 -0.539 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001155810514 815315086 /nfs/dbraw/zinc/31/50/86/815315086.db2.gz CIXSTIGIYLEPJI-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C)c1nnnn1C ZINC001155810948 815315559 /nfs/dbraw/zinc/31/55/59/815315559.db2.gz DFIOVBYUSNQZPT-WDEREUQCSA-N 2 0 295.391 -0.539 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155812493 815315608 /nfs/dbraw/zinc/31/56/08/815315608.db2.gz NTXUMQOQWRMVSK-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(N)=O ZINC001086090368 810241663 /nfs/dbraw/zinc/24/16/63/810241663.db2.gz WAQKXLMRQVGAMC-NJMOYASZSA-N 2 0 296.415 -0.315 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001086198749 810248347 /nfs/dbraw/zinc/24/83/47/810248347.db2.gz DUZDDLLIMKLGNY-FVCCEPFGSA-N 2 0 269.389 -0.339 20 0 CBADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCO)C1)C12CC[NH+](CC1)C2 ZINC001086254760 810252510 /nfs/dbraw/zinc/25/25/10/810252510.db2.gz RRBNVMDNMCVUHX-TXEJJXNPSA-N 2 0 267.373 -0.441 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001086270930 810253601 /nfs/dbraw/zinc/25/36/01/810253601.db2.gz ZLMNRZXPYOJWNS-NNYUYHANSA-N 2 0 282.388 -0.704 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001086333370 810261689 /nfs/dbraw/zinc/26/16/89/810261689.db2.gz MQKNFSISLPDFFQ-CYDGBPFRSA-N 2 0 285.388 -0.818 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(N)=O ZINC001086370209 810265585 /nfs/dbraw/zinc/26/55/85/810265585.db2.gz WAQKXLMRQVGAMC-SYLRKERUSA-N 2 0 296.415 -0.315 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086364966 810265858 /nfs/dbraw/zinc/26/58/58/810265858.db2.gz ZPZSEYZDXXCHPW-AVGNSLFASA-N 2 0 296.415 -0.171 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001086403039 810266971 /nfs/dbraw/zinc/26/69/71/810266971.db2.gz SAUNOEVAHDKUAE-JHJVBQTASA-N 2 0 269.389 -0.053 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001086551533 810278423 /nfs/dbraw/zinc/27/84/23/810278423.db2.gz DKELJUMRICMOOM-ZDEQEGDKSA-N 2 0 296.415 -0.314 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001086550855 810278439 /nfs/dbraw/zinc/27/84/39/810278439.db2.gz YCDKMSRSIHUXDH-FDYHWXHSSA-N 2 0 294.399 -0.689 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001086659149 810281837 /nfs/dbraw/zinc/28/18/37/810281837.db2.gz LTXGZVZEHOJRTK-QJPTWQEYSA-N 2 0 282.388 -0.560 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001086734703 810284741 /nfs/dbraw/zinc/28/47/41/810284741.db2.gz PMCDPJKYNBNKSC-YNEHKIRRSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[N@H+](C[C@H](C)O)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156389983 815357571 /nfs/dbraw/zinc/35/75/71/815357571.db2.gz CBHLFRYVNYBLJQ-OLZOCXBDSA-N 2 0 289.420 -0.228 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2C1 ZINC001087908662 810313680 /nfs/dbraw/zinc/31/36/80/810313680.db2.gz JOQWFVSMYFIJGQ-AGIUHOORSA-N 2 0 294.399 -0.654 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CCO)CC[C@@H]3C2)C1 ZINC001088200122 810322783 /nfs/dbraw/zinc/32/27/83/810322783.db2.gz QJVJFFQUKKRMLV-RDBSUJKOSA-N 2 0 281.400 -0.289 20 0 CBADRP COC(=O)C1(Nc2ncnc3c2CC[NH2+]C3)CC[NH2+]CC1 ZINC001156528875 815364515 /nfs/dbraw/zinc/36/45/15/815364515.db2.gz IYBPNGDCFTULKC-UHFFFAOYSA-N 2 0 291.355 -0.171 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCCO ZINC001089038802 810373513 /nfs/dbraw/zinc/37/35/13/810373513.db2.gz LUHABHYNGAXZQL-UPJWGTAASA-N 2 0 269.389 -0.101 20 0 CBADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCO)C[C@H]2O)CC1 ZINC001090673778 810546991 /nfs/dbraw/zinc/54/69/91/810546991.db2.gz MLKRZKMRAOLSIU-ZIAGYGMSSA-N 2 0 299.415 -0.738 20 0 CBADRP O=C(N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001090731133 810559168 /nfs/dbraw/zinc/55/91/68/810559168.db2.gz PQWLWTMOTVIYOB-STQMWFEESA-N 2 0 297.399 -0.984 20 0 CBADRP O=C(N[C@H]1CC[N@@H+](CCCF)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001090729919 810559487 /nfs/dbraw/zinc/55/94/87/810559487.db2.gz CFRIIQJDTDORSA-QWHCGFSZSA-N 2 0 299.390 -0.007 20 0 CBADRP O=C(N[C@H]1CC[N@@H+](CCCF)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001090729920 810559674 /nfs/dbraw/zinc/55/96/74/810559674.db2.gz CFRIIQJDTDORSA-STQMWFEESA-N 2 0 299.390 -0.007 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090814497 810570554 /nfs/dbraw/zinc/57/05/54/810570554.db2.gz JSNSRUTXHZJLMN-STQMWFEESA-N 2 0 285.388 -0.984 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CCO)C[C@@]3(C)C2)C1 ZINC001092272310 810627760 /nfs/dbraw/zinc/62/77/60/810627760.db2.gz DIZPFXPMUUWQJV-GUTXKFCHSA-N 2 0 281.400 -0.289 20 0 CBADRP CN1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO)C1 ZINC001096914047 810789481 /nfs/dbraw/zinc/78/94/81/810789481.db2.gz DHNJGUXDUWOFEH-YIYPIFLZSA-N 2 0 297.399 -0.579 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)C1 ZINC001098393854 810843970 /nfs/dbraw/zinc/84/39/70/810843970.db2.gz FCBFHHBBDCBSIB-LOWDOPEQSA-N 2 0 267.373 -0.348 20 0 CBADRP O=C(NCc1cc2n(n1)CCCO2)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157082063 815403803 /nfs/dbraw/zinc/40/38/03/815403803.db2.gz GZOWPUMSMXMHGY-LLVKDONJSA-N 2 0 291.355 -0.909 20 0 CBADRP Cc1nc(NC(=[NH2+])NCCCC[NH3+])nc(N(C)C)n1 ZINC001157095937 815403951 /nfs/dbraw/zinc/40/39/51/815403951.db2.gz ATHPAZWIJYOLEV-UHFFFAOYSA-N 2 0 266.353 -0.079 20 0 CBADRP NS(=O)(=O)c1ccc(NC(=[NH2+])NCCCC[NH3+])nc1 ZINC001157096646 815403962 /nfs/dbraw/zinc/40/39/62/815403962.db2.gz LNSGDIVNJDUPAC-UHFFFAOYSA-N 2 0 286.361 -0.596 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](CCO)C[C@@H]2O)CCC1 ZINC001099873886 810960106 /nfs/dbraw/zinc/96/01/06/810960106.db2.gz BNYAGBKCGITCTL-RYUDHWBXSA-N 2 0 285.388 -0.986 20 0 CBADRP CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132558 811028780 /nfs/dbraw/zinc/02/87/80/811028780.db2.gz VQXADHHTRZJLLP-VXGBXAGGSA-N 2 0 257.378 -0.102 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCCO)C[C@@H]1O ZINC001100067453 811010858 /nfs/dbraw/zinc/01/08/58/811010858.db2.gz RRZZLQOURMOEBX-OLZOCXBDSA-N 2 0 287.404 -0.738 20 0 CBADRP CCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100109187 811022688 /nfs/dbraw/zinc/02/26/88/811022688.db2.gz AOZKJCVHVKKDBL-ZIAGYGMSSA-N 2 0 299.415 -0.330 20 0 CBADRP CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001100185551 811034154 /nfs/dbraw/zinc/03/41/54/811034154.db2.gz FKPASAPQMJGLIH-WXRRBKDZSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)C1(C(=O)NCC2CC([NH2+]CC(N)=O)C2)CCC1 ZINC001100406036 811055919 /nfs/dbraw/zinc/05/59/19/811055919.db2.gz YMNDDSUTDSPZGP-UHFFFAOYSA-N 2 0 282.388 -0.560 20 0 CBADRP C[N@H+](CC(=O)NCC1CC([NH2+]CC(N)=O)C1)C1CCC1 ZINC001100410657 811056174 /nfs/dbraw/zinc/05/61/74/811056174.db2.gz HCEPDVSDOBZNAZ-UHFFFAOYSA-N 2 0 282.388 -0.560 20 0 CBADRP CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001100442723 811057628 /nfs/dbraw/zinc/05/76/28/811057628.db2.gz SRNWWFQWDRVPFT-WXRRBKDZSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC2CC([NH2+]CCO)C2)CC1 ZINC001100618433 811065583 /nfs/dbraw/zinc/06/55/83/811065583.db2.gz IPGQXPCCGYVVKE-UHFFFAOYSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@H]([NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001100614397 811065642 /nfs/dbraw/zinc/06/56/42/811065642.db2.gz QPHUAXMARDZPIE-UNXYVOJBSA-N 2 0 296.415 -0.314 20 0 CBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001100617375 811065829 /nfs/dbraw/zinc/06/58/29/811065829.db2.gz QUHIOJXPHQBYDX-UHFFFAOYSA-N 2 0 296.415 -0.441 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100619890 811066184 /nfs/dbraw/zinc/06/61/84/811066184.db2.gz NNAFBGXCCHYQAJ-PNESKVBLSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001100678472 811070891 /nfs/dbraw/zinc/07/08/91/811070891.db2.gz MAWPCUJPWCTPFA-PNESKVBLSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]CCO)C1 ZINC001100677056 811071366 /nfs/dbraw/zinc/07/13/66/811071366.db2.gz XNEOMPLNWTUWAO-HIFPTAJRSA-N 2 0 269.389 -0.053 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100829981 811081962 /nfs/dbraw/zinc/08/19/62/811081962.db2.gz VWZCNIPBQATXFS-UHFFFAOYSA-N 2 0 270.377 -0.702 20 0 CBADRP O=C(NCC1CC([NH2+]CCCO)C1)C12CC[NH+](CC1)C2 ZINC001100871258 811083319 /nfs/dbraw/zinc/08/33/19/811083319.db2.gz JJKKYPQHPYWKSU-UHFFFAOYSA-N 2 0 281.400 -0.051 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+][C@H](C)C(=O)NC)C1 ZINC001100904747 811084102 /nfs/dbraw/zinc/08/41/02/811084102.db2.gz FDIIRQDUWSZPSR-PNESKVBLSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCN1C(C)C ZINC001157335106 815424447 /nfs/dbraw/zinc/42/44/47/815424447.db2.gz DNWLCDSNFISDBW-RYUDHWBXSA-N 2 0 284.404 -0.171 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001100986643 811090010 /nfs/dbraw/zinc/09/00/10/811090010.db2.gz XZPYVNLXYUZOQZ-BPCQOVAHSA-N 2 0 294.399 -0.545 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(N)=O)C[C@@]2(C)C1 ZINC001101418232 811103212 /nfs/dbraw/zinc/10/32/12/811103212.db2.gz GZTJTBUNMAZHPT-DOMZBBRYSA-N 2 0 296.415 -0.406 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(N)=O)C[C@@]2(C)C1 ZINC001101477138 811106501 /nfs/dbraw/zinc/10/65/01/811106501.db2.gz DYKHOISRHFXNFY-DOMZBBRYSA-N 2 0 296.415 -0.408 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCC[NH2+]C1 ZINC001157322847 815422288 /nfs/dbraw/zinc/42/22/88/815422288.db2.gz AMXFZYKUSKDGMZ-NEPJUHHUSA-N 2 0 284.404 -0.264 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H]1CCC[NH2+]C1 ZINC001157323302 815423191 /nfs/dbraw/zinc/42/31/91/815423191.db2.gz GIYLSWOWGKOPAV-NEPJUHHUSA-N 2 0 284.404 -0.264 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@]1(C)CC[NH2+]C1 ZINC001157323432 815423222 /nfs/dbraw/zinc/42/32/22/815423222.db2.gz PSSKEKOZBJSUED-SMDDNHRTSA-N 2 0 284.404 -0.264 20 0 CBADRP CCC[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)NC ZINC001157323497 815423486 /nfs/dbraw/zinc/42/34/86/815423486.db2.gz SIGVWGZDNPPMLZ-UWVGGRQHSA-N 2 0 258.366 -0.526 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H]1CCCC[NH2+]1 ZINC001157335857 815424376 /nfs/dbraw/zinc/42/43/76/815424376.db2.gz KTOOPSBSGNKMHS-NEPJUHHUSA-N 2 0 284.404 -0.122 20 0 CBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051610 811145165 /nfs/dbraw/zinc/14/51/65/811145165.db2.gz AKGWUPLEBHZECM-VXGBXAGGSA-N 2 0 296.415 -0.360 20 0 CBADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001102524339 811157140 /nfs/dbraw/zinc/15/71/40/811157140.db2.gz ARDWZOKHJUPUDI-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104622477 811206779 /nfs/dbraw/zinc/20/67/79/811206779.db2.gz ZGVFCDMCTQIUFC-CHWSQXEVSA-N 2 0 298.431 -0.242 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(N)=O ZINC001105007508 811212821 /nfs/dbraw/zinc/21/28/21/811212821.db2.gz AFQUIYCGUIDMSO-JHJVBQTASA-N 2 0 296.415 -0.502 20 0 CBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC001157448640 815435840 /nfs/dbraw/zinc/43/58/40/815435840.db2.gz CYADMBJTZCLRTP-SECBINFHSA-N 2 0 257.334 -0.393 20 0 CBADRP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1)[NH+](C)C ZINC001106281840 811304340 /nfs/dbraw/zinc/30/43/40/811304340.db2.gz GTJOZPUODFADAE-BZPMIXESSA-N 2 0 298.431 -0.258 20 0 CBADRP CN1CCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CC1=O ZINC001157485915 815437432 /nfs/dbraw/zinc/43/74/32/815437432.db2.gz QQUFIWUWRRWPCH-NSHDSACASA-N 2 0 270.377 -0.654 20 0 CBADRP CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1)[NH+](C)C ZINC001106634573 811312982 /nfs/dbraw/zinc/31/29/82/811312982.db2.gz GTJOZPUODFADAE-YRGRVCCFSA-N 2 0 298.431 -0.258 20 0 CBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CC(N)=O ZINC001106665121 811313278 /nfs/dbraw/zinc/31/32/78/811313278.db2.gz INTLRDKSHTVQGK-FRRDWIJNSA-N 2 0 296.415 -0.360 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(N)=O)[C@H](C)C1 ZINC001106908394 811318726 /nfs/dbraw/zinc/31/87/26/811318726.db2.gz YKKVMASFTQASHG-JHJVBQTASA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106984128 811322054 /nfs/dbraw/zinc/32/20/54/811322054.db2.gz ZFTPFQPUGAVQAZ-VXGBXAGGSA-N 2 0 282.388 -0.748 20 0 CBADRP COC(=O)N1CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001157507588 815440277 /nfs/dbraw/zinc/44/02/77/815440277.db2.gz KDCAHMKESCGEIT-NSHDSACASA-N 2 0 286.376 -0.257 20 0 CBADRP [NH3+][C@@H](Cc1cscn1)C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157531245 815442303 /nfs/dbraw/zinc/44/23/03/815442303.db2.gz OHYCJXVUPRTSJO-VGMNWLOBSA-N 2 0 258.322 -0.480 20 0 CBADRP CC(C)(C)[N@@H+]1CCN[C@H](C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)C1 ZINC001157538838 815444176 /nfs/dbraw/zinc/44/41/76/815444176.db2.gz TUVNRVVYHMYXGB-VWYCJHECSA-N 2 0 272.368 -0.434 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])c1cc(C2C[NH2+]C2)ncn1 ZINC001157551526 815444822 /nfs/dbraw/zinc/44/48/22/815444822.db2.gz IXNVUOHYFSABTC-UHFFFAOYSA-N 2 0 293.371 -0.118 20 0 CBADRP N[C@@H](C[NH3+])c1ccc(C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)cc1 ZINC001157556239 815444848 /nfs/dbraw/zinc/44/48/48/815444848.db2.gz XOBCXMODNOMTEI-WOPDTQHZSA-N 2 0 266.320 -0.234 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])c1cc2c(nn1)CC[NH2+]C2 ZINC001157549216 815444907 /nfs/dbraw/zinc/44/49/07/815444907.db2.gz FZWPJMJUYPOCJG-UHFFFAOYSA-N 2 0 293.371 -0.159 20 0 CBADRP c1ncc(N2CC[NH2+]CC2)nc1N1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001157623355 815448598 /nfs/dbraw/zinc/44/85/98/815448598.db2.gz KPCDCLSVXXTSRR-WDEREUQCSA-N 2 0 260.345 -0.706 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108756620 811465948 /nfs/dbraw/zinc/46/59/48/811465948.db2.gz PCKPKYGNHGIQEZ-AVGNSLFASA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108756621 811466435 /nfs/dbraw/zinc/46/64/35/811466435.db2.gz PCKPKYGNHGIQEZ-XQQFMLRXSA-N 2 0 296.415 -0.347 20 0 CBADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673685 811499788 /nfs/dbraw/zinc/49/97/88/811499788.db2.gz ONNRMSFXUCEJON-MQYQWHSLSA-N 2 0 299.415 -0.333 20 0 CBADRP COC1(C)CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001157688213 815452397 /nfs/dbraw/zinc/45/23/97/815452397.db2.gz AADCBNIYDCIZIF-CYBMUJFWSA-N 2 0 298.431 -0.236 20 0 CBADRP C[NH+](C)C1CN(C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C1 ZINC001157688234 815453016 /nfs/dbraw/zinc/45/30/16/815453016.db2.gz ALYTXWNDXXCEOM-CHWSQXEVSA-N 2 0 280.416 -0.167 20 0 CBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])Cc1cccc(O)c1 ZINC001157715905 815455527 /nfs/dbraw/zinc/45/55/27/815455527.db2.gz KTXUXCQYLYJNRS-KGLIPLIRSA-N 2 0 293.367 -0.291 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCCO1 ZINC001157702864 815453926 /nfs/dbraw/zinc/45/39/26/815453926.db2.gz FDHLKYUYHJSCMI-MNOVXSKESA-N 2 0 253.346 -0.567 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCOCC(F)(F)C1 ZINC001157708057 815455237 /nfs/dbraw/zinc/45/52/37/815455237.db2.gz HEJWFRJPJYEYTI-MRVPVSSYSA-N 2 0 251.277 -0.453 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@H](CO)C[C@H](F)C1 ZINC001157728752 815456460 /nfs/dbraw/zinc/45/64/60/815456460.db2.gz AGZUFNRJLLOAEZ-UTLUCORTSA-N 2 0 279.381 -0.816 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001157720219 815456821 /nfs/dbraw/zinc/45/68/21/815456821.db2.gz CUHGDTPHYDDQOK-GARJFASQSA-N 2 0 259.325 -0.619 20 0 CBADRP COC(=O)[C@]1(F)CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001157717009 815456929 /nfs/dbraw/zinc/45/69/29/815456929.db2.gz WCMKOTWKBZEPMI-MFKMUULPSA-N 2 0 287.335 -0.573 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])CC(F)F ZINC001157720466 815457049 /nfs/dbraw/zinc/45/70/49/815457049.db2.gz JSRXNFZRDCIJKH-YUMQZZPRSA-N 2 0 251.277 -0.584 20 0 CBADRP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861641 811558736 /nfs/dbraw/zinc/55/87/36/811558736.db2.gz WYWQBPSRQFANPS-WFASDCNBSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1C[C@@H](OC(C)(C)C)C[NH2+]1 ZINC001157716738 815457280 /nfs/dbraw/zinc/45/72/80/815457280.db2.gz RJRVBPBAYUFNIM-AGIUHOORSA-N 2 0 299.415 -0.021 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC[C@@H](F)C(=O)C1 ZINC001157729714 815457814 /nfs/dbraw/zinc/45/78/14/815457814.db2.gz DEPASFDWXVKVAJ-BDAKNGLRSA-N 2 0 277.365 -0.465 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157739113 815460462 /nfs/dbraw/zinc/46/04/62/815460462.db2.gz FPRDINBUISRJDI-BXKDBHETSA-N 2 0 261.341 -0.236 20 0 CBADRP C[C@@H]1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC001157799369 815468326 /nfs/dbraw/zinc/46/83/26/815468326.db2.gz LMDRMMDRNUUZFZ-MDZLAQPJSA-N 2 0 255.362 -0.313 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@](O)(CF)CC1 ZINC001157793346 815467216 /nfs/dbraw/zinc/46/72/16/815467216.db2.gz LBJTVOKANOKMER-JBLDHEPKSA-N 2 0 259.325 -0.754 20 0 CBADRP C[C@@H]1CCN(C(=O)CC[NH+]2CCN(C)CC2)C[C@@H]1[NH3+] ZINC001157793449 815467326 /nfs/dbraw/zinc/46/73/26/815467326.db2.gz LRMDSDPHNCNXBL-OLZOCXBDSA-N 2 0 268.405 -0.180 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]2C[C@H]([NH3+])CN2)CC1 ZINC001157754903 815462829 /nfs/dbraw/zinc/46/28/29/815462829.db2.gz MWMLRFMPUNPTCK-JBLDHEPKSA-N 2 0 258.341 -0.645 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157756173 815463040 /nfs/dbraw/zinc/46/30/40/815463040.db2.gz WGGORYYGPVEDQX-DGCLKSJQSA-N 2 0 272.368 -0.431 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C[C@@H]1[NH3+] ZINC001157799852 815468522 /nfs/dbraw/zinc/46/85/22/815468522.db2.gz SVQQOAXMHSQMBB-HNCHTBHHSA-N 2 0 252.362 -0.866 20 0 CBADRP C[C@@H]1CCN(C(=O)C2(O)CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC001157804599 815468540 /nfs/dbraw/zinc/46/85/40/815468540.db2.gz SARVNZHCNJXOQS-MNOVXSKESA-N 2 0 255.362 -0.361 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157799330 815468779 /nfs/dbraw/zinc/46/87/79/815468779.db2.gz KOSAGVNLYQTLNY-BBBLOLIVSA-N 2 0 257.334 -0.537 20 0 CBADRP [NH3+]C[C@@]1(F)CCN(c2cncc(N3CC[NH2+]CC3)n2)C1 ZINC001157812986 815469680 /nfs/dbraw/zinc/46/96/80/815469680.db2.gz NMSUOTHYXZQLEM-ZDUSSCGKSA-N 2 0 280.351 -0.237 20 0 CBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001157841806 815470549 /nfs/dbraw/zinc/47/05/49/815470549.db2.gz HXZBOSNZSMTHSX-SKENRDBWSA-N 2 0 266.389 -0.206 20 0 CBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001157844641 815470725 /nfs/dbraw/zinc/47/07/25/815470725.db2.gz WQGIWQXDKOCOKL-VWYCJHECSA-N 3 0 274.434 -0.409 20 0 CBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001157844640 815470881 /nfs/dbraw/zinc/47/08/81/815470881.db2.gz WQGIWQXDKOCOKL-MXWKQRLJSA-N 3 0 274.434 -0.409 20 0 CBADRP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)CNC1CC[NH2+]CC1 ZINC001157842419 815471190 /nfs/dbraw/zinc/47/11/90/815471190.db2.gz LHBYEIUXWIDOGR-NWDGAFQWSA-N 2 0 268.405 -0.086 20 0 CBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157850338 815471671 /nfs/dbraw/zinc/47/16/71/815471671.db2.gz XXIBJIJQEIMVGP-MBNYWOFBSA-N 3 0 297.447 -0.677 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)CCC1 ZINC001114407215 811747896 /nfs/dbraw/zinc/74/78/96/811747896.db2.gz UJSUDRSJGZNUMQ-ITGUQSILSA-N 2 0 281.400 -0.101 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC001114422370 811748387 /nfs/dbraw/zinc/74/83/87/811748387.db2.gz ADOVFYCWXBPSCD-CXTNEJHOSA-N 2 0 281.400 -0.101 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[NH+](C)C ZINC001114442639 811750364 /nfs/dbraw/zinc/75/03/64/811750364.db2.gz LFTCNGMEDYKADC-LOWDOPEQSA-N 2 0 269.389 -0.389 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)[NH+](C)C ZINC001114463373 811750511 /nfs/dbraw/zinc/75/05/11/811750511.db2.gz HXSGVCSUYMFMIX-XQHKEYJVSA-N 2 0 269.389 -0.245 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157854039 815472365 /nfs/dbraw/zinc/47/23/65/815472365.db2.gz XWFKNPIARIPSJZ-NSHDSACASA-N 2 0 296.371 -0.937 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCCC(=O)[C@@H](F)C1)C1CC[NH2+]CC1 ZINC001157854441 815472954 /nfs/dbraw/zinc/47/29/54/815472954.db2.gz DKRWFHLGSOQBKM-CMPLNLGQSA-N 2 0 271.336 -0.157 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001157887188 815476879 /nfs/dbraw/zinc/47/68/79/815476879.db2.gz SCKIZSVLVGQYSA-VXGBXAGGSA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001157886996 815477099 /nfs/dbraw/zinc/47/70/99/815477099.db2.gz OKXNVBQLGVQBBO-QWHCGFSZSA-N 2 0 296.415 -0.156 20 0 CBADRP [NH3+][C@H](C(=O)N1C[C@@H](CO)CC(F)(F)C1)C1CC[NH2+]CC1 ZINC001157900901 815479087 /nfs/dbraw/zinc/47/90/87/815479087.db2.gz UYDJBSLXKHEJGL-ONGXEEELSA-N 2 0 291.342 -0.211 20 0 CBADRP [NH3+][C@@H](C(=O)N1C[C@@H](CO)CC(F)(F)C1)C1CC[NH2+]CC1 ZINC001157900898 815479429 /nfs/dbraw/zinc/47/94/29/815479429.db2.gz UYDJBSLXKHEJGL-GXSJLCMTSA-N 2 0 291.342 -0.211 20 0 CBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157934717 815487094 /nfs/dbraw/zinc/48/70/94/815487094.db2.gz NYDCADLFTXEWEZ-AGIUHOORSA-N 2 0 297.399 -0.938 20 0 CBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[C@H](O)[C@H](CO)C1 ZINC001157934718 815487550 /nfs/dbraw/zinc/48/75/50/815487550.db2.gz NYDCADLFTXEWEZ-AVGNSLFASA-N 2 0 297.399 -0.938 20 0 CBADRP C[C@@]1(CO)CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C[C@@H]1O ZINC001157948196 815492247 /nfs/dbraw/zinc/49/22/47/815492247.db2.gz ZRWAPNIAQZIECW-OBJOEFQTSA-N 2 0 287.404 -0.575 20 0 CBADRP O=C([C@@H]1C[NH2+]CCN1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157968263 815492994 /nfs/dbraw/zinc/49/29/94/815492994.db2.gz GWTCUTFNRLNTBK-UONOGXRCSA-N 2 0 274.368 -0.279 20 0 CBADRP O=C([C@H]1C[NH2+]CCN1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157968262 815493056 /nfs/dbraw/zinc/49/30/56/815493056.db2.gz GWTCUTFNRLNTBK-KGLIPLIRSA-N 2 0 274.368 -0.279 20 0 CBADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157966983 815493414 /nfs/dbraw/zinc/49/34/14/815493414.db2.gz AVNGBFHIPNFSKR-MCIONIFRSA-N 2 0 275.352 -0.260 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157971472 815493589 /nfs/dbraw/zinc/49/35/89/815493589.db2.gz YVFLFPKSDRIGIZ-QWHCGFSZSA-N 2 0 262.357 -0.164 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC[C@@](F)(CO)CC1 ZINC001157936378 815488589 /nfs/dbraw/zinc/48/85/89/815488589.db2.gz ZTFUKZMLOLPYLL-JQWIXIFHSA-N 2 0 293.408 -0.281 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@](F)(CO)CC1 ZINC001157935901 815488896 /nfs/dbraw/zinc/48/88/96/815488896.db2.gz XHOUUVRMKMWRBT-BXUZGUMPSA-N 2 0 285.363 -0.492 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCc2n[nH]cc2C1 ZINC001157989259 815495861 /nfs/dbraw/zinc/49/58/61/815495861.db2.gz OIKFCNFXBLPVKE-VIFPVBQESA-N 2 0 269.374 -0.686 20 0 CBADRP O=C(N1CCc2n[nH]cc2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157988906 815496206 /nfs/dbraw/zinc/49/62/06/815496206.db2.gz LCAFQBLLFLDJJU-BXUZGUMPSA-N 2 0 275.356 -0.507 20 0 CBADRP COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001158014480 815498331 /nfs/dbraw/zinc/49/83/31/815498331.db2.gz LXWCVNFICGCPDE-YIZRAAEISA-N 2 0 261.297 -0.835 20 0 CBADRP CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001158013652 815498506 /nfs/dbraw/zinc/49/85/06/815498506.db2.gz HJMWWORGXLKBAM-MNOVXSKESA-N 2 0 275.393 -0.577 20 0 CBADRP O=C(NCCC[NH2+]CCO)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158036919 815500647 /nfs/dbraw/zinc/50/06/47/815500647.db2.gz GMOQETDOJCIYMR-STQMWFEESA-N 2 0 269.389 -0.051 20 0 CBADRP O=C(NCCC[NH2+]CCO)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158036917 815500747 /nfs/dbraw/zinc/50/07/47/815500747.db2.gz GMOQETDOJCIYMR-OLZOCXBDSA-N 2 0 269.389 -0.051 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076918 815501247 /nfs/dbraw/zinc/50/12/47/815501247.db2.gz QFBWFPQNXHIBGB-LBPRGKRZSA-N 2 0 283.372 -0.654 20 0 CBADRP C[C@]1(C(=O)N2CCOC3(CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC001158077357 815503062 /nfs/dbraw/zinc/50/30/62/815503062.db2.gz UEZCIBKMJMUXOH-ZDUSSCGKSA-N 2 0 267.373 -0.033 20 0 CBADRP N[C@]1(C(=O)N2CCC3(CC([NH3+])C3)CC2)CC[NH2+]C1 ZINC001158082755 815503432 /nfs/dbraw/zinc/50/34/32/815503432.db2.gz RAJRCSYWHXYWGX-CYBMUJFWSA-N 2 0 252.362 -0.593 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158100746 815503796 /nfs/dbraw/zinc/50/37/96/815503796.db2.gz BKZKNJWKPONUKT-FZMZJTMJSA-N 2 0 282.388 -0.689 20 0 CBADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)CC2 ZINC001158091345 815503990 /nfs/dbraw/zinc/50/39/90/815503990.db2.gz AWPPXCRXZNTECG-QWRGUYRKSA-N 2 0 253.346 -0.561 20 0 CBADRP [NH3+]CCc1cnn(-c2ncnc3c2CC[NH2+]CC3)c1 ZINC001158096200 815504127 /nfs/dbraw/zinc/50/41/27/815504127.db2.gz MXDGHHHVNBMNOF-UHFFFAOYSA-N 2 0 258.329 -0.148 20 0 CBADRP [NH3+]CCCCCCCC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158093093 815504138 /nfs/dbraw/zinc/50/41/38/815504138.db2.gz SEIRWXXHJCMUTE-HNNXBMFYSA-N 2 0 296.415 -0.024 20 0 CBADRP CCCC[C@H]([NH2+]C)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158092200 815504166 /nfs/dbraw/zinc/50/41/66/815504166.db2.gz LZMBTZAHCZSFGA-SMDDNHRTSA-N 2 0 282.388 -0.545 20 0 CBADRP O=C(CC1CC[NH2+]CC1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091861 815504497 /nfs/dbraw/zinc/50/44/97/815504497.db2.gz JCEDXUIFVDEHIQ-AWEZNQCLSA-N 2 0 280.372 -0.933 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)CC1 ZINC001114741993 812157006 /nfs/dbraw/zinc/15/70/06/812157006.db2.gz ZLHPUIWHMDHFSG-GDNZZTSVSA-N 2 0 267.373 -0.633 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001114778668 812159778 /nfs/dbraw/zinc/15/97/78/812159778.db2.gz PBTMQSARJCENNX-IMRBUKKESA-N 2 0 292.387 -0.724 20 0 CBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161365 815506862 /nfs/dbraw/zinc/50/68/62/815506862.db2.gz UXIBMZJDVRKAOI-BXUZGUMPSA-N 2 0 297.403 -0.493 20 0 CBADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158159824 815507062 /nfs/dbraw/zinc/50/70/62/815507062.db2.gz FWTJSMIDDWCRDY-GXTWGEPZSA-N 2 0 294.399 -0.939 20 0 CBADRP O=C(N1CCC[C@]12CCC[NH2+]C2)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001158159489 815507277 /nfs/dbraw/zinc/50/72/77/815507277.db2.gz CJQCAPRFLVGQAG-VHDGCEQUSA-N 2 0 278.400 -0.318 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161843 815507341 /nfs/dbraw/zinc/50/73/41/815507341.db2.gz RGMWIUVSOMKIQT-AAEUAGOBSA-N 3 0 286.445 -0.250 20 0 CBADRP O=C([C@H]1C[NH2+]CCN1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158162330 815507391 /nfs/dbraw/zinc/50/73/91/815507391.db2.gz XLIVVSMPKDRIQJ-DGCLKSJQSA-N 2 0 252.362 -0.708 20 0 CBADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158162777 815507581 /nfs/dbraw/zinc/50/75/81/815507581.db2.gz ZNBBHJHPGDDTEV-RMRHIDDWSA-N 2 0 278.400 -0.319 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001114998194 812172233 /nfs/dbraw/zinc/17/22/33/812172233.db2.gz PUFQEBSWJLUBPI-CIQGVGRVSA-N 2 0 269.389 -0.245 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001114998831 812173444 /nfs/dbraw/zinc/17/34/44/812173444.db2.gz WUKOVHHOEZLZHM-IMRBUKKESA-N 2 0 269.389 -0.243 20 0 CBADRP O=C(C1CC2(C[NH2+]C2)C1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167914 815507964 /nfs/dbraw/zinc/50/79/64/815507964.db2.gz ORZNZWGIEHFOGI-VXGBXAGGSA-N 2 0 265.357 -0.567 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115074785 812176646 /nfs/dbraw/zinc/17/66/46/812176646.db2.gz SGVQKLIPNRZMLD-KZVDOYCCSA-N 2 0 294.399 -0.737 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)N(C)C)C[C@H]21 ZINC001115074631 812176885 /nfs/dbraw/zinc/17/68/85/812176885.db2.gz PJZWKXZFJDMJOE-JYAVWHMHSA-N 2 0 296.415 -0.537 20 0 CBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199225 815512418 /nfs/dbraw/zinc/51/24/18/815512418.db2.gz QGNLKEHMDQIFBY-RWMBFGLXSA-N 3 0 278.400 -0.177 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115159108 812183777 /nfs/dbraw/zinc/18/37/77/812183777.db2.gz DAESSBACSHYCDO-KZVDOYCCSA-N 2 0 294.399 -0.737 20 0 CBADRP O=C([C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158198844 815512862 /nfs/dbraw/zinc/51/28/62/815512862.db2.gz JNVHFOCEXWVWMP-IEECTRCBSA-N 2 0 265.357 -0.284 20 0 CBADRP O=C([C@H]1CNC(=O)C12CC[NH2+]CC2)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199195 815512916 /nfs/dbraw/zinc/51/29/16/815512916.db2.gz PDVVUKUYXYKJRW-GRYCIOLGSA-N 2 0 292.383 -0.935 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC001115299815 812189820 /nfs/dbraw/zinc/18/98/20/812189820.db2.gz GJROGMMCQDUBBZ-PJXYFTJBSA-N 2 0 255.362 -0.635 20 0 CBADRP [NH3+][C@@H](CO)Cc1cncn1-c1ncnc2c1CC[NH2+]CC2 ZINC001158204351 815513866 /nfs/dbraw/zinc/51/38/66/815513866.db2.gz XWVYDYMORGAMJU-SNVBAGLBSA-N 2 0 288.355 -0.787 20 0 CBADRP Cc1cnc(C[NH3+])n1-c1cncc(N2CC[NH2+]CC2)n1 ZINC001158165200 815508513 /nfs/dbraw/zinc/50/85/13/815508513.db2.gz WRBFKIZDTRTVOZ-UHFFFAOYSA-N 2 0 273.344 -0.161 20 0 CBADRP C[C@@]1(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]C1 ZINC001158180489 815510451 /nfs/dbraw/zinc/51/04/51/815510451.db2.gz XSGRUXRNYTYOQN-NQBHXWOUSA-N 2 0 253.346 -0.567 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)N1CC2CC1(C[NH3+])C2 ZINC001158187610 815510673 /nfs/dbraw/zinc/51/06/73/815510673.db2.gz ZCPSRTISZVEHCY-UHFFFAOYSA-N 2 0 253.350 -0.411 20 0 CBADRP O=C(NCCC[NH2+][C@@H]1CCNC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158197360 815511255 /nfs/dbraw/zinc/51/12/55/815511255.db2.gz XIWCKDWTQOYBTJ-QWHCGFSZSA-N 2 0 294.399 -0.687 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158196069 815511812 /nfs/dbraw/zinc/51/18/12/815511812.db2.gz IXWIIOXVWHBEMT-KGLIPLIRSA-N 2 0 299.415 -0.569 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001158320117 815520471 /nfs/dbraw/zinc/52/04/71/815520471.db2.gz SJVVKTDNJSPMGZ-VGMNWLOBSA-N 2 0 263.288 -0.455 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305371 815519591 /nfs/dbraw/zinc/51/95/91/815519591.db2.gz GYKBDOQARRYRDU-CMPLNLGQSA-N 2 0 252.362 -0.852 20 0 CBADRP C[C@@H]1C[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001117084374 812363987 /nfs/dbraw/zinc/36/39/87/812363987.db2.gz MMLBUXACTKYUJU-CHWSQXEVSA-N 2 0 298.431 -0.290 20 0 CBADRP CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158381115 815522783 /nfs/dbraw/zinc/52/27/83/815522783.db2.gz YBQUSZFTMZPDCD-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)C)CC[N@@H+]1C ZINC001158380053 815522920 /nfs/dbraw/zinc/52/29/20/815522920.db2.gz KUGIGTVXGVRAFE-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001158381195 815523045 /nfs/dbraw/zinc/52/30/45/815523045.db2.gz ZIZSVTSAAIKRSA-YNEHKIRRSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CCn2cncn2)CC[N@@H+]1C ZINC001158380032 815523272 /nfs/dbraw/zinc/52/32/72/815523272.db2.gz KMWCRBALOAVICH-CHWSQXEVSA-N 2 0 294.403 -0.286 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158379761 815523346 /nfs/dbraw/zinc/52/33/46/815523346.db2.gz HCWWWPXGTGHTBM-IJLUTSLNSA-N 2 0 284.404 -0.443 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)NCCOCC[NH+](C)C ZINC001117967093 812459857 /nfs/dbraw/zinc/45/98/57/812459857.db2.gz RJCUGGOHADICRY-LLVKDONJSA-N 2 0 260.382 -0.138 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC[NH2+]1 ZINC001117972421 812460210 /nfs/dbraw/zinc/46/02/10/812460210.db2.gz TXJNSDFGSUZXPJ-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC001118035657 812464084 /nfs/dbraw/zinc/46/40/84/812464084.db2.gz TWVHVZZZLREPHI-NWDGAFQWSA-N 2 0 296.415 -0.027 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158424327 815527860 /nfs/dbraw/zinc/52/78/60/815527860.db2.gz ROZAIHLTNPAZIW-NEPJUHHUSA-N 2 0 252.362 -0.709 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158424282 815527965 /nfs/dbraw/zinc/52/79/65/815527965.db2.gz RIQKCOSXWREEBK-AVGNSLFASA-N 2 0 282.388 -0.417 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001118088050 812469401 /nfs/dbraw/zinc/46/94/01/812469401.db2.gz HZCBRVKUBXWSMG-SYQHCUMBSA-N 2 0 269.389 -0.496 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158424670 815528013 /nfs/dbraw/zinc/52/80/13/815528013.db2.gz UBZVJBUSTSUGCT-KQXIARHKSA-N 2 0 282.388 -0.561 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158422095 815528199 /nfs/dbraw/zinc/52/81/99/815528199.db2.gz HUVMLLOZXYGBIF-JFEPYHJCSA-N 2 0 259.375 -0.955 20 0 CBADRP Cc1c(C(=O)NCC[NH2+]C2CC2)nnn1C1CC[NH2+]CC1 ZINC001118140097 812477662 /nfs/dbraw/zinc/47/76/62/812477662.db2.gz AIYVVPQVIDHRSE-UHFFFAOYSA-N 2 0 292.387 -0.007 20 0 CBADRP CC[NH2+]CCNC(=O)c1cn(CCCC[NH3+])nn1 ZINC001118140670 812477683 /nfs/dbraw/zinc/47/76/83/812477683.db2.gz HGYIOAKKOXPCNX-UHFFFAOYSA-N 2 0 254.338 -0.644 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]([NH3+])CC(F)F)CCO1 ZINC001118140316 812477924 /nfs/dbraw/zinc/47/79/24/812477924.db2.gz LXUXTIXOWAVYQA-BIIVOSGPSA-N 2 0 251.277 -0.457 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC001118140047 812477957 /nfs/dbraw/zinc/47/79/57/812477957.db2.gz GWHGKLHXYOZFLT-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]Cc1cnnn1-c1ccc(N2CC[NH2+]CC2)cn1 ZINC001158423239 815528566 /nfs/dbraw/zinc/52/85/66/815528566.db2.gz OXZQGKZRUYJNFC-UHFFFAOYSA-N 2 0 259.317 -0.469 20 0 CBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158426367 815528771 /nfs/dbraw/zinc/52/87/71/815528771.db2.gz ZCBWKYBZLXIGLN-AGIUHOORSA-N 3 0 278.400 -0.177 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2=CCCOC2)CC1 ZINC001118156416 812481864 /nfs/dbraw/zinc/48/18/64/812481864.db2.gz WITGRIBYYHYEDU-CQSZACIVSA-N 2 0 269.389 -0.469 20 0 CBADRP O=C(NCC1=CC[NH2+]CC1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001118195516 812489824 /nfs/dbraw/zinc/48/98/24/812489824.db2.gz OEQXRBUEBKYQOI-LBPRGKRZSA-N 2 0 290.371 -0.148 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+][C@H]2CCCNC2=O)CC[N@@H+]1C ZINC001158428324 815529569 /nfs/dbraw/zinc/52/95/69/815529569.db2.gz DBIKGRALPZKOGU-UPJWGTAASA-N 2 0 296.415 -0.299 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC001118206244 812496802 /nfs/dbraw/zinc/49/68/02/812496802.db2.gz YSUGNNDKIIPFIC-MNOVXSKESA-N 2 0 268.361 -0.948 20 0 CBADRP C(CN1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[NH2+]CC1 ZINC001118223081 812499598 /nfs/dbraw/zinc/49/95/98/812499598.db2.gz NDBBPNNBKRCOSE-OAHLLOKOSA-N 2 0 282.432 -0.312 20 0 CBADRP C[C@@H](CCO)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001118242877 812505237 /nfs/dbraw/zinc/50/52/37/812505237.db2.gz MHRPMCFNFIJGCN-QWHCGFSZSA-N 2 0 259.394 -0.797 20 0 CBADRP [NH3+]C1([C@H]2CN(C(=O)CNC3CC[NH2+]CC3)C[C@@H]2CF)CC1 ZINC001158567642 815538214 /nfs/dbraw/zinc/53/82/14/815538214.db2.gz JEXMPIOIGRDKQH-AAEUAGOBSA-N 2 0 298.406 -0.137 20 0 CBADRP C[NH2+]C[C@@](C)(O)CN1CC[NH+](C(C)(C)CO)CC1 ZINC001118251979 812507523 /nfs/dbraw/zinc/50/75/23/812507523.db2.gz YIHSABKDPQQFJS-CYBMUJFWSA-N 2 0 259.394 -0.655 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158546910 815538238 /nfs/dbraw/zinc/53/82/38/815538238.db2.gz NEBAZCOTNRGBLU-MPXOCVNLSA-N 2 0 289.326 -0.052 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCC[C@H](C(=O)NC2CC2)C1 ZINC001118261257 812511665 /nfs/dbraw/zinc/51/16/65/812511665.db2.gz RZHWHEHMFAKMLZ-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP CC[N@@H+]1C[C@H](C)N(CC(=O)N2CC[NH2+]CC2)C[C@H]1C ZINC001118264123 812512200 /nfs/dbraw/zinc/51/22/00/812512200.db2.gz TTYRZWPETUNOTR-OLZOCXBDSA-N 2 0 268.405 -0.167 20 0 CBADRP N[C@]1(C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)CCC[NH2+]C1 ZINC001158547449 815538309 /nfs/dbraw/zinc/53/83/09/815538309.db2.gz PFASLJKORFLCND-QHSBEEBCSA-N 2 0 294.399 -0.953 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)C2CC[NH2+]CC2)CC1 ZINC001118282445 812518566 /nfs/dbraw/zinc/51/85/66/812518566.db2.gz XVPRBJRLFMFWLM-UHFFFAOYSA-N 2 0 268.405 -0.260 20 0 CBADRP NC(=O)[C@@H](CO)Nc1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001158445432 815533686 /nfs/dbraw/zinc/53/36/86/815533686.db2.gz XAYJTSIARGGOHO-SNVBAGLBSA-N 2 0 279.344 -0.733 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158567163 815538386 /nfs/dbraw/zinc/53/83/86/815538386.db2.gz FKTJUIFUYOTHIC-ADEWGFFLSA-N 2 0 295.362 -0.185 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001118337465 812534356 /nfs/dbraw/zinc/53/43/56/812534356.db2.gz NWSBPVXZBBIVQB-SRVKXCTJSA-N 2 0 254.378 -0.524 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001118390283 812544149 /nfs/dbraw/zinc/54/41/49/812544149.db2.gz STVBAKOAQNARAF-UTUOFQBUSA-N 2 0 284.404 -0.586 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC001118485805 812555029 /nfs/dbraw/zinc/55/50/29/812555029.db2.gz GRSLPGNNXFYOKP-SDDRHHMPSA-N 2 0 282.388 -0.547 20 0 CBADRP O=C(C1CC[NH2+]CC1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158532352 815536230 /nfs/dbraw/zinc/53/62/30/815536230.db2.gz AXDIARUFGQQUGL-GZBFAFLISA-N 2 0 279.384 -0.035 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC001118505932 812562383 /nfs/dbraw/zinc/56/23/83/812562383.db2.gz IYQXUNPWEIOKIL-NEPJUHHUSA-N 2 0 255.362 -0.192 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC001118507372 812563335 /nfs/dbraw/zinc/56/33/35/812563335.db2.gz XQMJZQGXICRVAD-WHOHXGKFSA-N 2 0 255.362 -0.193 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(N[C@@H]2CC[NH2+]C2)CC1 ZINC001118521526 812567578 /nfs/dbraw/zinc/56/75/78/812567578.db2.gz QGSGIBQQOUZRKN-CYBMUJFWSA-N 2 0 268.405 -0.072 20 0 CBADRP [NH3+]C1(C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)CC1 ZINC001158535101 815537322 /nfs/dbraw/zinc/53/73/22/815537322.db2.gz VMCYVWTZJQTHQD-OPQQBVKSSA-N 2 0 251.330 -0.543 20 0 CBADRP CN(CCC[NH3+])C(=O)c1cn(CCCC[NH3+])nn1 ZINC001118557741 812575798 /nfs/dbraw/zinc/57/57/98/812575798.db2.gz IIYRQIBZERSNIE-UHFFFAOYSA-N 2 0 254.338 -0.562 20 0 CBADRP NC(=O)COC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC001118557422 812576404 /nfs/dbraw/zinc/57/64/04/812576404.db2.gz DWRZITNJLUAXNM-LLVKDONJSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]CCCOC1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001118568702 812577528 /nfs/dbraw/zinc/57/75/28/812577528.db2.gz FRWVCOSLGNHPHL-CHWSQXEVSA-N 2 0 285.388 -0.293 20 0 CBADRP [NH3+]CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001118568953 812577669 /nfs/dbraw/zinc/57/76/69/812577669.db2.gz LDVZPBHBCZPLNY-VIFPVBQESA-N 2 0 252.322 -0.719 20 0 CBADRP C[NH2+][C@@H](C)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001118568909 812577898 /nfs/dbraw/zinc/57/78/98/812577898.db2.gz JEZZTJCNOXJUHT-LBPRGKRZSA-N 2 0 256.394 -0.262 20 0 CBADRP O=C([C@@H]1CC[NH2+]C[C@@H]1F)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158548462 815538110 /nfs/dbraw/zinc/53/81/10/815538110.db2.gz UHUZKXWYRXPAGT-XLFUENPSSA-N 2 0 297.374 -0.087 20 0 CBADRP Cc1c(C[NH3+])c(NC(=O)C2=NO[C@@H](C[NH3+])C2)nn1C ZINC001118572548 812580415 /nfs/dbraw/zinc/58/04/15/812580415.db2.gz SPKHEFXVEHWKIE-SSDOTTSWSA-N 2 0 266.305 -0.771 20 0 CBADRP N[C@]1(C(=O)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)CCC[NH2+]C1 ZINC001158578148 815539060 /nfs/dbraw/zinc/53/90/60/815539060.db2.gz KQTGZQHXGZZHEU-JTNHKYCSSA-N 2 0 284.379 -0.397 20 0 CBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@@H]2CF)CC1 ZINC001158578555 815539242 /nfs/dbraw/zinc/53/92/42/815539242.db2.gz MJSVUNKZAWJQTP-MMWGEVLESA-N 2 0 271.336 -0.755 20 0 CBADRP [NH3+]C1([C@@H]2CN(C(=O)C[C@H]3COCC[NH2+]3)C[C@H]2CF)CC1 ZINC001158576799 815539442 /nfs/dbraw/zinc/53/94/42/815539442.db2.gz DQGPYLCZBWARGG-GRYCIOLGSA-N 2 0 285.363 -0.100 20 0 CBADRP CO[C@@H]1CN(c2cncc(N3CC[NH2+]CC3)n2)C[C@@H]1[NH3+] ZINC001158710629 815544463 /nfs/dbraw/zinc/54/44/63/815544463.db2.gz GPUCEGDYQGJBCB-WDEREUQCSA-N 2 0 278.360 -0.952 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001118861483 812644253 /nfs/dbraw/zinc/64/42/53/812644253.db2.gz JFPFILDFFPKVAM-QWRGUYRKSA-N 2 0 258.366 -0.650 20 0 CBADRP CO[C@@H]1CN(c2ncnc3c2CC[NH2+]CC3)C[C@@H]1[NH3+] ZINC001158703899 815543903 /nfs/dbraw/zinc/54/39/03/815543903.db2.gz BILLUNKRAYXBPT-CMPLNLGQSA-N 2 0 263.345 -0.673 20 0 CBADRP C[N@H+](C1CN(c2ncc3c(n2)C[NH2+]C3)C1)[C@H]1CCOC1 ZINC001158731711 815545417 /nfs/dbraw/zinc/54/54/17/815545417.db2.gz VMTWJLJFNQXGQE-NSHDSACASA-N 2 0 275.356 -0.011 20 0 CBADRP [NH3+][C@H]1CN(c2nc(Cl)nc3c2C[NH2+]CC3)CC12COC2 ZINC001158763449 815545532 /nfs/dbraw/zinc/54/55/32/815545532.db2.gz GNSNWQSYNVKODP-JTQLQIEISA-N 2 0 295.774 -0.060 20 0 CBADRP COCC1([N@H+](C)CC(=O)N2CC[NH2+]CC2)CCC1 ZINC001119002268 812688186 /nfs/dbraw/zinc/68/81/86/812688186.db2.gz JWENSWCGOOKVTO-UHFFFAOYSA-N 2 0 255.362 -0.081 20 0 CBADRP [NH3+][C@H]1CN(c2ccc(N3CC[NH2+]CC3)cn2)CC12COC2 ZINC001158765855 815546279 /nfs/dbraw/zinc/54/62/79/815546279.db2.gz LXDJTZWGAUHQJO-ZDUSSCGKSA-N 2 0 289.383 -0.345 20 0 CBADRP CC1(C)COCCN1CCNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001119005393 812689645 /nfs/dbraw/zinc/68/96/45/812689645.db2.gz KVMJXLZQECGJGH-SDDRHHMPSA-N 2 0 267.373 -0.179 20 0 CBADRP [NH3+][C@@H]1CN(c2cc3c(nn2)CC[NH2+]C3)CC12COC2 ZINC001158766238 815546615 /nfs/dbraw/zinc/54/66/15/815546615.db2.gz VXYJUYZGQDUBAE-LLVKDONJSA-N 2 0 261.329 -0.714 20 0 CBADRP Cc1cnc(N2C[C@H]([NH3+])C3(COC3)C2)nc1C1C[NH2+]C1 ZINC001158769446 815546890 /nfs/dbraw/zinc/54/68/90/815546890.db2.gz PSWVTFZZUCLTNG-NSHDSACASA-N 2 0 275.356 -0.364 20 0 CBADRP COCC1(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]CC1 ZINC001119237876 812729379 /nfs/dbraw/zinc/72/93/79/812729379.db2.gz OYXYVLZVLSBNPK-PHIMTYICSA-N 2 0 255.362 -0.144 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCC(O)(C[NH3+])CC2)CC1 ZINC001119240402 812730104 /nfs/dbraw/zinc/73/01/04/812730104.db2.gz VRHURYYYIZEUCC-UHFFFAOYSA-N 2 0 255.362 -0.360 20 0 CBADRP CC[C@@H]1COCCN1CCNC(=O)C1(C)C[NH2+]C1 ZINC001119244425 812731985 /nfs/dbraw/zinc/73/19/85/812731985.db2.gz GUGZTELEMRLILZ-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001119294890 812744373 /nfs/dbraw/zinc/74/43/73/812744373.db2.gz MOJAVNDVVMAOCV-QWRGUYRKSA-N 2 0 282.388 -0.560 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001119294810 812744662 /nfs/dbraw/zinc/74/46/62/812744662.db2.gz KFXCMVRZSVTGSC-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001119295858 812745488 /nfs/dbraw/zinc/74/54/88/812745488.db2.gz YVVWCNMFHKSSDY-AVGNSLFASA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001119295863 812745661 /nfs/dbraw/zinc/74/56/61/812745661.db2.gz YVVWCNMFHKSSDY-YNEHKIRRSA-N 2 0 296.415 -0.027 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001119297444 812746830 /nfs/dbraw/zinc/74/68/30/812746830.db2.gz NIYYIUVEHJDCBM-LLVKDONJSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)=NO1 ZINC001119300987 812748330 /nfs/dbraw/zinc/74/83/30/812748330.db2.gz MSFHRDAIQQQGTF-ATZCPNFKSA-N 2 0 252.318 -0.557 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)nn1 ZINC001119300585 812748582 /nfs/dbraw/zinc/74/85/82/812748582.db2.gz ACGHLVBSORPNTA-KOLCDFICSA-N 2 0 264.333 -0.797 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NCc1cc(N)cc[nH+]1 ZINC001119322417 812753878 /nfs/dbraw/zinc/75/38/78/812753878.db2.gz PUAZCXXBELBOEE-NSHDSACASA-N 2 0 251.334 -0.441 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001119324514 812755936 /nfs/dbraw/zinc/75/59/36/812755936.db2.gz GLNJJTIXOGWQER-RKDXNWHRSA-N 2 0 265.304 -0.289 20 0 CBADRP O=C(CN1CC[NH2+]CCC12CCC2)N1CC[NH2+]CC1 ZINC001119346930 812761742 /nfs/dbraw/zinc/76/17/42/812761742.db2.gz GFNUZVCHTMEIOP-UHFFFAOYSA-N 2 0 266.389 -0.364 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001119363410 812767508 /nfs/dbraw/zinc/76/75/08/812767508.db2.gz XZDUWVKCUKISOS-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC[N@@H+]1C ZINC001119407221 812776954 /nfs/dbraw/zinc/77/69/54/812776954.db2.gz GLLFUEDLEOXWLW-JHJVBQTASA-N 2 0 296.415 -0.075 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119409655 812777197 /nfs/dbraw/zinc/77/71/97/812777197.db2.gz LEJRPRIEYJJLNZ-HAQNSBGRSA-N 2 0 272.393 -0.009 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001119417852 812779105 /nfs/dbraw/zinc/77/91/05/812779105.db2.gz VCDMBYBCXUYLKP-UPJWGTAASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001119439398 812785887 /nfs/dbraw/zinc/78/58/87/812785887.db2.gz RDADCOUHQXDPLF-ZETCQYMHSA-N 2 0 268.321 -0.823 20 0 CBADRP CC(C)([NH3+])CCNC(=O)NCCN1CC[NH2+]CC1 ZINC001119477347 812790461 /nfs/dbraw/zinc/79/04/61/812790461.db2.gz UTSBUVQEWLUBOH-UHFFFAOYSA-N 2 0 257.382 -0.682 20 0 CBADRP COC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])Cc2cn(C)nc21 ZINC001159018293 815555408 /nfs/dbraw/zinc/55/54/08/815555408.db2.gz LEQGZGZFEYJIDL-RYUDHWBXSA-N 2 0 295.387 -0.442 20 0 CBADRP C[NH2+]CCN(C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)C(C)C ZINC001119610716 812831462 /nfs/dbraw/zinc/83/14/62/812831462.db2.gz DMRNFKIRLOQEIH-CYBMUJFWSA-N 2 0 298.431 -0.147 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1C[C@@H]([NH3+])CC(F)F ZINC001119611526 812833481 /nfs/dbraw/zinc/83/34/81/812833481.db2.gz UUYCTWZDDLCGLU-IUCAKERBSA-N 2 0 265.304 -0.194 20 0 CBADRP COCc1n[nH]c2c1CN(C(=O)[C@H]([NH3+])CCC[NH3+])C2 ZINC001159090607 815559151 /nfs/dbraw/zinc/55/91/51/815559151.db2.gz FZWOILMPXQOTJO-SECBINFHSA-N 2 0 267.333 -0.536 20 0 CBADRP C[NH+]1CC(CNc2ccc(N3CC[NH2+]CC3)nn2)C1 ZINC001159217528 815563222 /nfs/dbraw/zinc/56/32/22/815563222.db2.gz CLXOHXSJDKFLRN-UHFFFAOYSA-N 2 0 262.361 -0.140 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CC(N)=O)CCCCC2)C1 ZINC001120130064 812934597 /nfs/dbraw/zinc/93/45/97/812934597.db2.gz UCZBLYMSBOTPMR-LBPRGKRZSA-N 2 0 296.415 -0.168 20 0 CBADRP [NH3+]C[C@@]12CC[C@@H]1CCN2CC(=O)N1CC[NH2+]CC1 ZINC001120263625 812943116 /nfs/dbraw/zinc/94/31/16/812943116.db2.gz AJSQQSMCORRMEY-YPMHNXCESA-N 2 0 252.362 -0.769 20 0 CBADRP [NH3+]C[C@]12CC[C@@H]1CCN2CC(=O)N1CC[NH2+]CC1 ZINC001120263621 812943449 /nfs/dbraw/zinc/94/34/49/812943449.db2.gz AJSQQSMCORRMEY-DGCLKSJQSA-N 2 0 252.362 -0.769 20 0 CBADRP Cn1nccc1[C@H](O)CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC001120277602 812946971 /nfs/dbraw/zinc/94/69/71/812946971.db2.gz KNXNSMJSFAVLTJ-DGCLKSJQSA-N 2 0 268.361 -0.502 20 0 CBADRP C[C@@H]1COC[C@@H]1[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001120275538 812947027 /nfs/dbraw/zinc/94/70/27/812947027.db2.gz OFYCHUUAAHGFOW-AGIUHOORSA-N 2 0 257.378 -0.781 20 0 CBADRP [NH3+]C[C@H]1CCN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)C1 ZINC001120452887 812968821 /nfs/dbraw/zinc/96/88/21/812968821.db2.gz NGEBKIDQLICTNH-SNVBAGLBSA-N 2 0 266.345 -0.308 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCNCC[NH2+]CC1 ZINC001120492849 812974912 /nfs/dbraw/zinc/97/49/12/812974912.db2.gz QILSCTNTGBEOGB-CYBMUJFWSA-N 2 0 285.436 -0.079 20 0 CBADRP NC(=O)CC[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC001120503139 812976634 /nfs/dbraw/zinc/97/66/34/812976634.db2.gz JIQQXTYSEDGOOR-UHFFFAOYSA-N 2 0 270.377 -0.556 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)NCC1([NH3+])CC1 ZINC001120516973 812979164 /nfs/dbraw/zinc/97/91/64/812979164.db2.gz WJUOEHJIQZRQML-UHFFFAOYSA-N 2 0 258.366 -0.255 20 0 CBADRP C[NH2+]CCCNC(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001120537987 812985940 /nfs/dbraw/zinc/98/59/40/812985940.db2.gz LRYJWPDMOSGEQZ-WDMOLILDSA-N 2 0 298.387 -0.482 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)NCCCN1CC[NH2+]CC1 ZINC001120538876 812986534 /nfs/dbraw/zinc/98/65/34/812986534.db2.gz SUWWGXRRRIIWEU-LBPRGKRZSA-N 2 0 283.420 -0.421 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001120542691 812987791 /nfs/dbraw/zinc/98/77/91/812987791.db2.gz OWVYWUGQCGGMMS-CYBMUJFWSA-N 2 0 285.436 -0.044 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001120542692 812987918 /nfs/dbraw/zinc/98/79/18/812987918.db2.gz OWVYWUGQCGGMMS-ZDUSSCGKSA-N 2 0 285.436 -0.044 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001120544729 812988029 /nfs/dbraw/zinc/98/80/29/812988029.db2.gz WSXPWBRIBDOGDR-NEPJUHHUSA-N 2 0 269.393 -0.539 20 0 CBADRP [NH3+][C@H]1CCC[C@@H](NC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001120544903 812988037 /nfs/dbraw/zinc/98/80/37/812988037.db2.gz WSXPWBRIBDOGDR-NWDGAFQWSA-N 2 0 269.393 -0.539 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCN1CCC([NH3+])CC1 ZINC001120547447 812988848 /nfs/dbraw/zinc/98/88/48/812988848.db2.gz ZTQZSNVNZKMXDT-NXEZZACHSA-N 2 0 257.382 -0.556 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NCCN1CCC([NH3+])CC1 ZINC001120547451 812989237 /nfs/dbraw/zinc/98/92/37/812989237.db2.gz ZTQZSNVNZKMXDT-ZJUUUORDSA-N 2 0 257.382 -0.556 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001120551278 812989285 /nfs/dbraw/zinc/98/92/85/812989285.db2.gz UIKLXVFLKCVHJF-JTQLQIEISA-N 2 0 258.366 -0.127 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001120550751 812989416 /nfs/dbraw/zinc/98/94/16/812989416.db2.gz KPZKPCGIVQTNMS-UKKRHICBSA-N 2 0 254.334 -0.833 20 0 CBADRP N[C@@]1(C(=O)N2CC3(C2)CC[N@H+](CC2CC2)C3)CC[NH2+]C1 ZINC001159291610 815567832 /nfs/dbraw/zinc/56/78/32/815567832.db2.gz QYYLGTVSNXZNNY-HNNXBMFYSA-N 2 0 278.400 -0.379 20 0 CBADRP [NH3+]CCNCC(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159290550 815567900 /nfs/dbraw/zinc/56/79/00/815567900.db2.gz GTMSAIWGAMRNBY-UHFFFAOYSA-N 2 0 266.389 -0.521 20 0 CBADRP CCN1CCC[C@@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001120569682 812993033 /nfs/dbraw/zinc/99/30/33/812993033.db2.gz GADPPHFXBFEIFK-CABCVRRESA-N 2 0 284.448 -0.331 20 0 CBADRP CN1CCCC[C@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001120566512 812993443 /nfs/dbraw/zinc/99/34/43/812993443.db2.gz CFZKZMZFFFYNTD-LSDHHAIUSA-N 2 0 284.448 -0.331 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC001120573658 812994349 /nfs/dbraw/zinc/99/43/49/812994349.db2.gz HBBORCDIQGCFPR-HZPDHXFCSA-N 2 0 298.475 -0.085 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCCOCC[NH+](C)C ZINC001120617412 813000138 /nfs/dbraw/zinc/00/01/38/813000138.db2.gz HGQPGFHOEJQRBM-GHMZBOCLSA-N 2 0 258.366 -0.528 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC ZINC001159327722 815569482 /nfs/dbraw/zinc/56/94/82/815569482.db2.gz NDNGTPDYWRMTKF-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CN1CCO[C@@H](C(=O)N[C@H]2C[NH+]3CCC2CC3)C1 ZINC001120688232 813010411 /nfs/dbraw/zinc/01/04/11/813010411.db2.gz ZONGJCRUIVVLCT-NWDGAFQWSA-N 2 0 253.346 -0.473 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001159334333 815570010 /nfs/dbraw/zinc/57/00/10/815570010.db2.gz CJIDGRTVRMFSAV-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCO ZINC001159356297 815571808 /nfs/dbraw/zinc/57/18/08/815571808.db2.gz VDYJXHHDDAUSJK-GFCCVEGCSA-N 2 0 257.378 -0.051 20 0 CBADRP CN(CC[NH3+])CCNc1ncnc2c1CC[NH2+]C2 ZINC001159431498 815572893 /nfs/dbraw/zinc/57/28/93/815572893.db2.gz NCHXFVJZIYEFCM-UHFFFAOYSA-N 2 0 250.350 -0.575 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001121817278 813077920 /nfs/dbraw/zinc/07/79/20/813077920.db2.gz LKJDJQLVMPWUMV-WISYIIOYSA-N 2 0 255.362 -0.444 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[C@H](C[NH3+])C1 ZINC001121811356 813077978 /nfs/dbraw/zinc/07/79/78/813077978.db2.gz ZTKMAFYWGJLFHE-IJLUTSLNSA-N 2 0 252.362 -0.818 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC001121810419 813078501 /nfs/dbraw/zinc/07/85/01/813078501.db2.gz JEMOPWKOZVSROB-GRYCIOLGSA-N 2 0 252.362 -0.805 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC001121898417 813086820 /nfs/dbraw/zinc/08/68/20/813086820.db2.gz YKUZFAHZJXMFKF-YFKTTZPYSA-N 2 0 257.378 -0.164 20 0 CBADRP C[NH+](C)CC1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001121908583 813087630 /nfs/dbraw/zinc/08/76/30/813087630.db2.gz AFCLIUOBLPISNY-TZMCWYRMSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+](C)CC1CCN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001121908580 813088022 /nfs/dbraw/zinc/08/80/22/813088022.db2.gz AFCLIUOBLPISNY-GXTWGEPZSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001121908827 813088188 /nfs/dbraw/zinc/08/81/88/813088188.db2.gz FEIKJIXGVCSLLQ-CHWSQXEVSA-N 2 0 296.415 -0.358 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001121902000 813088564 /nfs/dbraw/zinc/08/85/64/813088564.db2.gz SRUFYZJYCIYEME-YPMHNXCESA-N 2 0 255.362 -0.300 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001121939425 813093359 /nfs/dbraw/zinc/09/33/59/813093359.db2.gz JHIVEGVGPKWVBT-OBJOEFQTSA-N 2 0 269.389 -0.195 20 0 CBADRP [NH3+]CCNCC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC001121938031 813093374 /nfs/dbraw/zinc/09/33/74/813093374.db2.gz UENSVOOUHMAGGM-ZDUSSCGKSA-N 2 0 262.357 -0.462 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC001121943873 813094540 /nfs/dbraw/zinc/09/45/40/813094540.db2.gz NGCNROUPAVLVQO-TUAOUCFPSA-N 2 0 257.378 -0.149 20 0 CBADRP O=C(NCC[NH+]1CCCC1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001121981828 813098912 /nfs/dbraw/zinc/09/89/12/813098912.db2.gz NYUCRRBZJZOOHQ-LBPRGKRZSA-N 2 0 267.373 -0.033 20 0 CBADRP [NH3+][C@H](Cc1ccccn1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001121988589 813100839 /nfs/dbraw/zinc/10/08/39/813100839.db2.gz GNNHVQRBXDDBNW-NWDGAFQWSA-N 2 0 264.329 -0.944 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C1(C2CC[NH2+]CC2)CC1 ZINC001121987708 813100861 /nfs/dbraw/zinc/10/08/61/813100861.db2.gz AEFHIXHJABZAIK-LBPRGKRZSA-N 2 0 267.373 -0.129 20 0 CBADRP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001121989682 813101471 /nfs/dbraw/zinc/10/14/71/813101471.db2.gz VKKFOAFRXVDNBO-YRGRVCCFSA-N 2 0 269.389 -0.053 20 0 CBADRP [NH3+][C@H](Cc1ccccn1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001121988591 813101642 /nfs/dbraw/zinc/10/16/42/813101642.db2.gz GNNHVQRBXDDBNW-VXGBXAGGSA-N 2 0 264.329 -0.944 20 0 CBADRP C[C@H]1CN(CCNC(=O)[C@]23CC[C@H]2C[NH2+]C3)CCO1 ZINC001121996201 813102299 /nfs/dbraw/zinc/10/22/99/813102299.db2.gz DRTMRPDFHPDJDD-OBJOEFQTSA-N 2 0 267.373 -0.177 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C[NH3+])C[C@H]2[NH3+])cn1 ZINC001122001897 813102990 /nfs/dbraw/zinc/10/29/90/813102990.db2.gz VRZHHOCAIVHMBH-KXGXSXBTSA-N 2 0 263.345 -0.732 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCn1ccnc1C ZINC001121996049 813103252 /nfs/dbraw/zinc/10/32/52/813103252.db2.gz BRODASPKHPOEDN-MWLCHTKSSA-N 2 0 254.334 -0.476 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)C23CC(C2)C[NH2+]3)CC1 ZINC001122009645 813103743 /nfs/dbraw/zinc/10/37/43/813103743.db2.gz VIJCPMPOFPLFOK-UHFFFAOYSA-N 2 0 280.416 -0.118 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[NH2+]CCN1C ZINC001122005757 813103825 /nfs/dbraw/zinc/10/38/25/813103825.db2.gz SUVQBEGJOFDMJD-KGYLQXTDSA-N 2 0 266.389 -0.511 20 0 CBADRP C[S@@](=O)C1(C(=O)NCCC[NH2+]C2CC2)CC[NH2+]CC1 ZINC001122008552 813104441 /nfs/dbraw/zinc/10/44/41/813104441.db2.gz XXMUORZLLSFUCB-LJQANCHMSA-N 2 0 287.429 -0.255 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC001122009472 813104468 /nfs/dbraw/zinc/10/44/68/813104468.db2.gz QCOJCPYORZLQBO-DYEKYZERSA-N 2 0 266.389 -0.510 20 0 CBADRP [NH3+]CC1(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC(O)C1 ZINC001122023581 813106602 /nfs/dbraw/zinc/10/66/02/813106602.db2.gz NNFQGEWYIIUYNV-ZCUBBSJVSA-N 2 0 263.288 -0.800 20 0 CBADRP C[C@H]1CCN(C(=O)C2(C[NH3+])CC(O)C2)C[C@H]1C[NH3+] ZINC001122067542 813111915 /nfs/dbraw/zinc/11/19/15/813111915.db2.gz HEVAFUUGVUHVOA-KIENENRBSA-N 2 0 255.362 -0.471 20 0 CBADRP C[C@@H]1CCN(C(=O)C2(C[NH3+])CC(O)C2)C[C@@H]1C[NH3+] ZINC001122067540 813111966 /nfs/dbraw/zinc/11/19/66/813111966.db2.gz HEVAFUUGVUHVOA-CFGSLIKFSA-N 2 0 255.362 -0.471 20 0 CBADRP O=C(NCC[C@@H]1CSCC[NH2+]1)[C@H]1C[NH2+]CCO1 ZINC001122082696 813114525 /nfs/dbraw/zinc/11/45/25/813114525.db2.gz KVROJLFUQAIHIQ-NXEZZACHSA-N 2 0 259.375 -0.814 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12 ZINC001122077606 813114786 /nfs/dbraw/zinc/11/47/86/813114786.db2.gz QHGHQSCLNALQPA-OBPIAQAESA-N 2 0 267.373 -0.396 20 0 CBADRP [NH3+]CC1(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC(O)C1 ZINC001122086770 813116074 /nfs/dbraw/zinc/11/60/74/813116074.db2.gz HZDRIOHWKZOYSL-SQLBVSGCSA-N 2 0 253.346 -0.513 20 0 CBADRP O=C(N1CC[NH2+]C[C@H]1CO)[C@]12CCC[C@H]1[NH2+]CC2 ZINC001122123675 813120512 /nfs/dbraw/zinc/12/05/12/813120512.db2.gz AGXSPJKLDKPNLY-LOWVWBTDSA-N 2 0 253.346 -0.689 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC001122136584 813122782 /nfs/dbraw/zinc/12/27/82/813122782.db2.gz NKIQLTGZAONBIL-STQMWFEESA-N 2 0 269.389 -0.066 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC001122142769 813123502 /nfs/dbraw/zinc/12/35/02/813123502.db2.gz ZWHPJHYPWCZQPF-DMDPSCGWSA-N 2 0 265.357 -0.377 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC001122142771 813123876 /nfs/dbraw/zinc/12/38/76/813123876.db2.gz ZWHPJHYPWCZQPF-GVXVVHGQSA-N 2 0 265.357 -0.377 20 0 CBADRP [NH3+]CCOCC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001122144857 813124152 /nfs/dbraw/zinc/12/41/52/813124152.db2.gz DNKJYFCUXZLOAY-NSHDSACASA-N 2 0 271.361 -0.763 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001122144155 813124213 /nfs/dbraw/zinc/12/42/13/813124213.db2.gz VJWITJPPHLXYRA-ZZIFITQXSA-N 2 0 269.389 -0.056 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@H](O)C[NH3+])[NH+]1CCCCC1 ZINC001122149295 813125025 /nfs/dbraw/zinc/12/50/25/813125025.db2.gz UUUDWJFVEKYCJA-NEPJUHHUSA-N 2 0 257.378 -0.067 20 0 CBADRP CC[C@H](C(=O)NCCN1CCC([NH3+])CC1)[NH+](C)C ZINC001122157673 813126299 /nfs/dbraw/zinc/12/62/99/813126299.db2.gz SBTNCYAZAMYOMW-GFCCVEGCSA-N 2 0 256.394 -0.134 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001122182063 813129250 /nfs/dbraw/zinc/12/92/50/813129250.db2.gz NLOLTVOQXMFCSI-FRRDWIJNSA-N 2 0 269.389 -0.339 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]([NH3+])C1CCCCC1 ZINC001122183907 813129434 /nfs/dbraw/zinc/12/94/34/813129434.db2.gz YUXLKCWIIQBWFN-VXGBXAGGSA-N 2 0 257.378 -0.067 20 0 CBADRP CC(C)C[NH2+]CC(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001122189889 813130087 /nfs/dbraw/zinc/13/00/87/813130087.db2.gz LBSZJXYCUMDMQI-LBPRGKRZSA-N 2 0 254.334 -0.772 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001122192880 813130642 /nfs/dbraw/zinc/13/06/42/813130642.db2.gz ZONMSHHEITXMMX-JHJVBQTASA-N 2 0 266.389 -0.510 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001122197180 813131256 /nfs/dbraw/zinc/13/12/56/813131256.db2.gz XTWXJZZSLYVCTK-LPWJVIDDSA-N 2 0 266.389 -0.239 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001122235194 813137739 /nfs/dbraw/zinc/13/77/39/813137739.db2.gz ZLIMCNKJSNXLPK-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP CN(C)c1cc[nH+]c(CNC(=O)C[C@@H](O)C[NH3+])c1 ZINC001122237667 813137743 /nfs/dbraw/zinc/13/77/43/813137743.db2.gz ZTPYPUKEPYKNQG-LLVKDONJSA-N 2 0 252.318 -0.527 20 0 CBADRP C[C@@H](Nc1cncc(N2CC[NH2+]CC2)n1)[C@H]1C[NH2+]CCO1 ZINC001159502252 815579492 /nfs/dbraw/zinc/57/94/92/815579492.db2.gz ZDYHMOBCYVZUKX-VXGBXAGGSA-N 2 0 292.387 -0.325 20 0 CBADRP [NH3+][C@H]1CC[C@H](C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001122287879 813140820 /nfs/dbraw/zinc/14/08/20/813140820.db2.gz JJEMLIOTEZESTH-HAQNSBGRSA-N 2 0 254.378 -0.475 20 0 CBADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCNCC[NH2+]CC1 ZINC001122288064 813141208 /nfs/dbraw/zinc/14/12/08/813141208.db2.gz LRENTFSJXAOURM-LLVKDONJSA-N 2 0 292.387 -0.878 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C[C@H]1C[NH3+] ZINC001122301589 813143508 /nfs/dbraw/zinc/14/35/08/813143508.db2.gz HJLNZELZNHMGQV-UTUOFQBUSA-N 2 0 282.388 -0.763 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])=NO1 ZINC001122321121 813145172 /nfs/dbraw/zinc/14/51/72/813145172.db2.gz SKTHPPXQEJYXBW-HOTUBEGUSA-N 2 0 252.318 -0.570 20 0 CBADRP [NH3+]Cc1ncc(C(=O)N2CC[C@H]3CC[C@]32C[NH3+])cn1 ZINC001122318878 813145285 /nfs/dbraw/zinc/14/52/85/813145285.db2.gz AHPAKORXKMRVOA-MFKMUULPSA-N 2 0 261.329 -0.111 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])=NO1 ZINC001122321118 813145641 /nfs/dbraw/zinc/14/56/41/813145641.db2.gz SKTHPPXQEJYXBW-AUTRQRHGSA-N 2 0 252.318 -0.570 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]C[C@@H]1COC ZINC001122331224 813148807 /nfs/dbraw/zinc/14/88/07/813148807.db2.gz JXLXJOOYODFMKO-WOPDTQHZSA-N 2 0 255.362 -0.179 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC001122362806 813153486 /nfs/dbraw/zinc/15/34/86/813153486.db2.gz GUUUSGLCAGXOPK-MNOVXSKESA-N 2 0 255.362 -0.131 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC001122362807 813153560 /nfs/dbraw/zinc/15/35/60/813153560.db2.gz GUUUSGLCAGXOPK-QWRGUYRKSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001122387765 813157326 /nfs/dbraw/zinc/15/73/26/813157326.db2.gz VVRSUXHSFVRJRM-GWCFXTLKSA-N 2 0 267.373 -0.036 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001122387239 813157852 /nfs/dbraw/zinc/15/78/52/813157852.db2.gz SSYWOXSDZOENDB-GFCCVEGCSA-N 2 0 255.362 -0.036 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2CCC[C@]23CC[NH2+]C3)nn1 ZINC001122412018 813160839 /nfs/dbraw/zinc/16/08/39/813160839.db2.gz PIKPPHVSWJBUIO-CQSZACIVSA-N 2 0 292.387 -0.015 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2CCC[C@@]23CC[NH2+]C3)nn1 ZINC001122412016 813161086 /nfs/dbraw/zinc/16/10/86/813161086.db2.gz PIKPPHVSWJBUIO-AWEZNQCLSA-N 2 0 292.387 -0.015 20 0 CBADRP NS(=O)(=O)c1ccc(N[C@H]([NH3+])CCC[NH3+])nc1 ZINC001159784566 815594385 /nfs/dbraw/zinc/59/43/85/815594385.db2.gz JIMMQMZGUSXPMH-QMMMGPOBSA-N 2 0 259.335 -0.835 20 0 CBADRP C[C@@H](NC(=O)C1CC[NH2+]CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001122447128 813164950 /nfs/dbraw/zinc/16/49/50/813164950.db2.gz BILZNJRWOZPZIY-YPMHNXCESA-N 2 0 268.405 -0.264 20 0 CBADRP C[C@@]1(C(=O)NC2CC3(CC([NH3+])C3)C2)C[C@H](O)C[NH2+]1 ZINC001122434142 813165676 /nfs/dbraw/zinc/16/56/76/813165676.db2.gz KBXRJEXYMHCDDH-SYYSXUQUSA-N 2 0 253.346 -0.515 20 0 CBADRP C[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)[C@H]1C[N@H+](C)CCN1C ZINC001122447567 813165716 /nfs/dbraw/zinc/16/57/16/813165716.db2.gz FSRPOXFZXQCZOH-JHJVBQTASA-N 2 0 268.405 -0.121 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001122470692 813168653 /nfs/dbraw/zinc/16/86/53/813168653.db2.gz AETWBVHPRNYZTA-SNVBAGLBSA-N 2 0 254.334 -0.452 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001122484296 813169285 /nfs/dbraw/zinc/16/92/85/813169285.db2.gz NYECAZVSFQGKNF-ZDEQEGDKSA-N 2 0 266.389 -0.654 20 0 CBADRP C[C@H]1C(=O)Nc2ncnc(N[C@H]([NH3+])CCC[NH3+])c21 ZINC001159784884 815595145 /nfs/dbraw/zinc/59/51/45/815595145.db2.gz LOYSJEVSHTYVLT-RQJHMYQMSA-N 2 0 250.306 -0.032 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001122535921 813174107 /nfs/dbraw/zinc/17/41/07/813174107.db2.gz LSZNZNBAMPLOTM-GRYCIOLGSA-N 2 0 255.362 -0.219 20 0 CBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001122535763 813175007 /nfs/dbraw/zinc/17/50/07/813175007.db2.gz HGMUJJUOBVVYPL-UTUOFQBUSA-N 2 0 253.346 -0.594 20 0 CBADRP CN(C)c1nc(N[C@@H]([NH3+])CCC[NH3+])nc2nc[nH]c21 ZINC001159787008 815596038 /nfs/dbraw/zinc/59/60/38/815596038.db2.gz PLFZRDMBGSWQGM-SSDOTTSWSA-N 2 0 264.337 -0.146 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@@H]3COCC[NH2+]3)[C@@H]2C1 ZINC001122571618 813176706 /nfs/dbraw/zinc/17/67/06/813176706.db2.gz BDEHJCMHBUVZMH-LOWDOPEQSA-N 2 0 267.373 -0.179 20 0 CBADRP COCCOc1ccc(N[C@H]([NH3+])CCC[NH3+])nn1 ZINC001159788807 815596146 /nfs/dbraw/zinc/59/61/46/815596146.db2.gz MDQZSRGZEHHMFK-VIFPVBQESA-N 2 0 255.322 -0.063 20 0 CBADRP C[C@]1(C(=O)NC[C@@H]2CCC[NH2+]CC2)C[C@@H](O)C[NH2+]1 ZINC001122582244 813178004 /nfs/dbraw/zinc/17/80/04/813178004.db2.gz YKGORWJAJBPFMA-NQBHXWOUSA-N 2 0 255.362 -0.395 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)NCC[C@H]2CCC[NH2+]CC2)=NO1 ZINC001122595905 813179049 /nfs/dbraw/zinc/17/90/49/813179049.db2.gz TUYFIIKDBMCPHF-WDEREUQCSA-N 2 0 268.361 -0.014 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159854850 815599951 /nfs/dbraw/zinc/59/99/51/815599951.db2.gz UQJPIYVMZCFINP-LBPRGKRZSA-N 2 0 287.404 -0.426 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001159837797 815600046 /nfs/dbraw/zinc/60/00/46/815600046.db2.gz FTRNUWWOAZBJTJ-CYBMUJFWSA-N 2 0 298.431 -0.194 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+][C@@H](C)C(N)=O)C1 ZINC001159838720 815600118 /nfs/dbraw/zinc/60/01/18/815600118.db2.gz OLYDIFIGDWHDGC-STQMWFEESA-N 2 0 298.431 -0.066 20 0 CBADRP C[NH+](C)C1(C(=O)NCCC[NH2+][C@H]2CCCNC2=O)CCC1 ZINC001159855016 815601309 /nfs/dbraw/zinc/60/13/09/815601309.db2.gz ZWQKGYXVZKEWCR-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001159860691 815601323 /nfs/dbraw/zinc/60/13/23/815601323.db2.gz CCMDAHNCULYDSV-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH+]1CCCC1 ZINC001123482109 813243162 /nfs/dbraw/zinc/24/31/62/813243162.db2.gz KASZDJGJPOSRSS-STQMWFEESA-N 2 0 266.389 -0.413 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH+]1CCC1 ZINC001123672376 813258890 /nfs/dbraw/zinc/25/88/90/813258890.db2.gz UUUXKNYDCVCSKW-NWDGAFQWSA-N 2 0 252.362 -0.803 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001123878685 813286030 /nfs/dbraw/zinc/28/60/30/813286030.db2.gz ZQEFHJFRTOLGRT-SRVKXCTJSA-N 2 0 254.378 -0.559 20 0 CBADRP CC[C@H](C(=O)N1CC[C@](O)(C[NH+](C)C)C1)[NH+](C)C ZINC001123952209 813299765 /nfs/dbraw/zinc/29/97/65/813299765.db2.gz CPKYDCWUIQLWFC-YPMHNXCESA-N 2 0 257.378 -0.148 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001124835909 813485177 /nfs/dbraw/zinc/48/51/77/813485177.db2.gz CBGQZKMIGGZCHD-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001124866738 813490167 /nfs/dbraw/zinc/49/01/67/813490167.db2.gz JZTBXEDCVKHKBP-WCQYABFASA-N 2 0 296.415 -0.299 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124873027 813492662 /nfs/dbraw/zinc/49/26/62/813492662.db2.gz RMLLZSCVBPSJIW-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H](O)CCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124879120 813494847 /nfs/dbraw/zinc/49/48/47/813494847.db2.gz QBLCFMQJLMKFDV-RYUDHWBXSA-N 2 0 257.378 -0.053 20 0 CBADRP Cn1nccc1CC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124877969 813494865 /nfs/dbraw/zinc/49/48/65/813494865.db2.gz JLIJKWVZBCUFDI-ZDUSSCGKSA-N 2 0 279.388 -0.237 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001127065669 813710318 /nfs/dbraw/zinc/71/03/18/813710318.db2.gz CUNUUECIHUJGKL-VXGBXAGGSA-N 2 0 282.388 -0.547 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001127082563 813711324 /nfs/dbraw/zinc/71/13/24/813711324.db2.gz UYEGNLNFDAJZRH-STQMWFEESA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127077671 813712055 /nfs/dbraw/zinc/71/20/55/813712055.db2.gz GVQTUYGUYHQQJP-RYUDHWBXSA-N 2 0 284.404 -0.301 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127257352 813721169 /nfs/dbraw/zinc/72/11/69/813721169.db2.gz XVMPCHHYVNWZKY-OLZOCXBDSA-N 2 0 296.415 -0.297 20 0 CBADRP O=C(NCC[NH2+]CCCO)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127255357 813721566 /nfs/dbraw/zinc/72/15/66/813721566.db2.gz IWSWIMDFRVPNGC-OLZOCXBDSA-N 2 0 269.389 -0.051 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256542 813722111 /nfs/dbraw/zinc/72/21/11/813722111.db2.gz OVMWIDXPFLZNJD-NWDGAFQWSA-N 2 0 282.388 -0.687 20 0 CBADRP Cn1nccc1C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475126 813731430 /nfs/dbraw/zinc/73/14/30/813731430.db2.gz RFPHPDKDUNOWPS-AWEZNQCLSA-N 2 0 291.399 -0.032 20 0 CBADRP O=C(NCC[NH2+]CCCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001127466448 813732068 /nfs/dbraw/zinc/73/20/68/813732068.db2.gz IKQLGDSOUMXNGS-GFCCVEGCSA-N 2 0 255.362 -0.584 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475135 813732407 /nfs/dbraw/zinc/73/24/07/813732407.db2.gz RIKWFVPMEUZAFC-CYBMUJFWSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCOCCO)CC[N@@H+]1C ZINC001127638747 813739638 /nfs/dbraw/zinc/73/96/38/813739638.db2.gz OMWWZAYEQJYYJU-VXGBXAGGSA-N 2 0 273.377 -0.959 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N2CCC2)CC[N@@H+]1C ZINC001127685324 813741278 /nfs/dbraw/zinc/74/12/78/813741278.db2.gz NHPFLIOXMUCNMI-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NC2CC2)CC[N@@H+]1C ZINC001127690998 813741438 /nfs/dbraw/zinc/74/14/38/813741438.db2.gz WDGRXINEIOHYLN-ZYHUDNBSSA-N 2 0 282.388 -0.689 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127695128 813741562 /nfs/dbraw/zinc/74/15/62/813741562.db2.gz BURZCPAMUQZXCJ-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127690496 813741857 /nfs/dbraw/zinc/74/18/57/813741857.db2.gz LAMHOUVFKPTWFR-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127691032 813741968 /nfs/dbraw/zinc/74/19/68/813741968.db2.gz YMVZZLKUKRPJRX-GHMZBOCLSA-N 2 0 270.377 -0.832 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001127701287 813742044 /nfs/dbraw/zinc/74/20/44/813742044.db2.gz MVARIUIBPNNNHK-RWMBFGLXSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001127695056 813742703 /nfs/dbraw/zinc/74/27/03/813742703.db2.gz ANPJVBJLUGFOJO-QJPTWQEYSA-N 2 0 282.388 -0.689 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]C[C@@H](C)O ZINC001128533754 813779672 /nfs/dbraw/zinc/77/96/72/813779672.db2.gz RHDDTQSCMRIBFU-MNOVXSKESA-N 2 0 263.357 -0.247 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001128779754 813798484 /nfs/dbraw/zinc/79/84/84/813798484.db2.gz XOUBSLTWFUDZKT-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](CC)C(N)=O ZINC001128784101 813798780 /nfs/dbraw/zinc/79/87/80/813798780.db2.gz LDSLVGUGCSQKOD-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](CC)C(N)=O ZINC001128784096 813799315 /nfs/dbraw/zinc/79/93/15/813799315.db2.gz LDSLVGUGCSQKOD-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](C)O ZINC001128786801 813799468 /nfs/dbraw/zinc/79/94/68/813799468.db2.gz WDGTYMDBTTXYFR-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129328402 813836287 /nfs/dbraw/zinc/83/62/87/813836287.db2.gz PIFOSJAMUOFQHN-GFCCVEGCSA-N 2 0 284.404 -0.584 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001129341807 813836769 /nfs/dbraw/zinc/83/67/69/813836769.db2.gz ZQMUBAHYZPVPAB-QWHCGFSZSA-N 2 0 296.415 -0.441 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001129363534 813840603 /nfs/dbraw/zinc/84/06/03/813840603.db2.gz IRVHFPVIGMQLKI-NSHDSACASA-N 2 0 282.388 -0.593 20 0 CBADRP Cn1cc(C[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)cn1 ZINC001129436806 813842739 /nfs/dbraw/zinc/84/27/39/813842739.db2.gz SWXVCGVTIAPLFQ-ZDUSSCGKSA-N 2 0 279.388 -0.034 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(N)=O ZINC001129418856 813843016 /nfs/dbraw/zinc/84/30/16/813843016.db2.gz XLEKFRNPOUZAIO-WCQYABFASA-N 2 0 296.415 -0.027 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)C(N)=O ZINC001129444573 813845783 /nfs/dbraw/zinc/84/57/83/813845783.db2.gz VIWDDLPEWNRHKI-QWRGUYRKSA-N 2 0 270.377 -0.704 20 0 CBADRP C[N@H+](CC(=O)NCC[NH2+]CCNC(=O)C1CC1)C1CCC1 ZINC001129532263 813848539 /nfs/dbraw/zinc/84/85/39/813848539.db2.gz XOQDCCJPWZESDP-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001129535248 813848956 /nfs/dbraw/zinc/84/89/56/813848956.db2.gz MJCNFMJCMZFNPI-LBPRGKRZSA-N 2 0 282.388 -0.593 20 0 CBADRP C[N@H+](CC(=O)NCC[NH2+][C@@H]1CCCNC1=O)C1CCC1 ZINC001129532213 813849208 /nfs/dbraw/zinc/84/92/08/813849208.db2.gz VJCJTKBBVVXCOH-GFCCVEGCSA-N 2 0 282.388 -0.545 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001129947364 813882358 /nfs/dbraw/zinc/88/23/58/813882358.db2.gz WXBPKMBCELYUKV-MNOVXSKESA-N 2 0 270.377 -0.833 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001129949877 813882849 /nfs/dbraw/zinc/88/28/49/813882849.db2.gz JESBILYVUAZCSJ-RYUDHWBXSA-N 2 0 286.420 -0.245 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001129992131 813892902 /nfs/dbraw/zinc/89/29/02/813892902.db2.gz MJKHNDOWCUAJPL-NEPJUHHUSA-N 2 0 298.366 -0.459 20 0 CBADRP O=C(NCC[NH2+][C@@H]1CCNC1=O)C12CCC[NH+](CCC1)C2 ZINC001130171167 813913776 /nfs/dbraw/zinc/91/37/76/813913776.db2.gz IZJCFXQRKFJANB-GFCCVEGCSA-N 2 0 294.399 -0.543 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C1CC1)[NH+](C)C ZINC001130198179 813915401 /nfs/dbraw/zinc/91/54/01/813915401.db2.gz YQYZDHWDYJGISZ-WCQYABFASA-N 2 0 298.431 -0.053 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130186243 813916612 /nfs/dbraw/zinc/91/66/12/813916612.db2.gz DJXRPEGSSYGOEG-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130187518 813916715 /nfs/dbraw/zinc/91/67/15/813916715.db2.gz WZOCPRQYNLKJAP-WDEREUQCSA-N 2 0 268.361 -0.806 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130186287 813916754 /nfs/dbraw/zinc/91/67/54/813916754.db2.gz FCYCBGGTARPQLU-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CCNC(=O)C1CC1)[NH+](C)C ZINC001130205894 813919127 /nfs/dbraw/zinc/91/91/27/813919127.db2.gz ZWZAANBYVWITMM-GFCCVEGCSA-N 2 0 284.404 -0.441 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001130296883 813923319 /nfs/dbraw/zinc/92/33/19/813923319.db2.gz DDBDFASEZHBJCL-QWRGUYRKSA-N 2 0 268.361 -0.935 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130297730 813924910 /nfs/dbraw/zinc/92/49/10/813924910.db2.gz QGSJPEZDIDFURV-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001130425226 813938282 /nfs/dbraw/zinc/93/82/82/813938282.db2.gz OKSSPKHTQATZFT-UHFFFAOYSA-N 2 0 299.419 -0.552 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)NC(C)C ZINC001130419150 813939225 /nfs/dbraw/zinc/93/92/25/813939225.db2.gz MVJUVXPILWZFSQ-UHFFFAOYSA-N 2 0 286.420 -0.053 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]C[C@@H](O)COC ZINC001130425422 813939547 /nfs/dbraw/zinc/93/95/47/813939547.db2.gz YOJIUMYGFJGLJT-LLVKDONJSA-N 2 0 275.393 -0.570 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001130709214 813968622 /nfs/dbraw/zinc/96/86/22/813968622.db2.gz XFYAMXSYHANVFI-VXGBXAGGSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130713518 813970409 /nfs/dbraw/zinc/97/04/09/813970409.db2.gz RCPVKWAWTMCSPZ-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130808913 813983226 /nfs/dbraw/zinc/98/32/26/813983226.db2.gz XPBCADYHMBQYGM-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130808800 813983555 /nfs/dbraw/zinc/98/35/55/813983555.db2.gz RVGLECZFRCVPEH-LLVKDONJSA-N 2 0 255.362 -0.299 20 0 CBADRP O=C(NCC[NH2+][C@H]1CCNC1=O)C12CCC[NH+]1CCC2 ZINC001130805822 813984154 /nfs/dbraw/zinc/98/41/54/813984154.db2.gz OILGLAZSMQTDLB-NSHDSACASA-N 2 0 280.372 -0.791 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001130810324 813984431 /nfs/dbraw/zinc/98/44/31/813984431.db2.gz RFFXKPMURJIZEC-LBPRGKRZSA-N 2 0 294.399 -0.449 20 0 CBADRP O=C(NCC[NH2+]CCO)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196530 814012683 /nfs/dbraw/zinc/01/26/83/814012683.db2.gz JNOQKRHTRJSMDZ-UHFFFAOYSA-N 2 0 275.312 -0.421 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131374476 814024937 /nfs/dbraw/zinc/02/49/37/814024937.db2.gz BYOQLQKKLBRETM-SNVBAGLBSA-N 2 0 289.339 -0.212 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)C(N)=O ZINC001131789950 814068977 /nfs/dbraw/zinc/06/89/77/814068977.db2.gz BSRLBCUOKDVESO-STQMWFEESA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC(N)=O)CCCCC1 ZINC001131799332 814070694 /nfs/dbraw/zinc/07/06/94/814070694.db2.gz NOVCDWVSNDLPLZ-UHFFFAOYSA-N 2 0 284.404 -0.310 20 0 CBADRP C[N@H+](CCC(=O)NCC[NH2+]CC(N)=O)C1CCCCC1 ZINC001131815534 814072544 /nfs/dbraw/zinc/07/25/44/814072544.db2.gz HZQAEQSWSHLBSY-UHFFFAOYSA-N 2 0 284.404 -0.168 20 0 CBADRP COC[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132852121 814193913 /nfs/dbraw/zinc/19/39/13/814193913.db2.gz HZVONGIUVUXJTR-STQMWFEESA-N 2 0 287.404 -0.164 20 0 CBADRP CO[C@@H](C)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848823 814194171 /nfs/dbraw/zinc/19/41/71/814194171.db2.gz SWEKIAYBTCIKRF-QWHCGFSZSA-N 2 0 287.404 -0.164 20 0 CBADRP CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132853408 814195682 /nfs/dbraw/zinc/19/56/82/814195682.db2.gz ZYDDXPNRIPOKCA-ZDUSSCGKSA-N 2 0 287.404 -0.162 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132882138 814197297 /nfs/dbraw/zinc/19/72/97/814197297.db2.gz ANNKRKAJEBIMFR-QWRGUYRKSA-N 2 0 270.377 -0.832 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+][C@@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001132893698 814198885 /nfs/dbraw/zinc/19/88/85/814198885.db2.gz XZLBPWMDEUYWIP-RWMBFGLXSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132893625 814199099 /nfs/dbraw/zinc/19/90/99/814199099.db2.gz WGNLQWRDAWEJSJ-SRVKXCTJSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC001132892827 814199999 /nfs/dbraw/zinc/19/99/99/814199999.db2.gz BRKKAJZWKQNVPU-AVGNSLFASA-N 2 0 298.431 -0.101 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132984074 814204577 /nfs/dbraw/zinc/20/45/77/814204577.db2.gz WXOSZWDAYSUTOF-LBPRGKRZSA-N 2 0 299.371 -0.332 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001132995272 814205805 /nfs/dbraw/zinc/20/58/05/814205805.db2.gz PXAXDAJVUGUTEU-NSHDSACASA-N 2 0 282.388 -0.735 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC(=O)NC(C)(C)C)CC1 ZINC001132993221 814206416 /nfs/dbraw/zinc/20/64/16/814206416.db2.gz OMQCTZKAZFCIIK-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132995285 814206994 /nfs/dbraw/zinc/20/69/94/814206994.db2.gz QCWDULRFEWQANS-SNVBAGLBSA-N 2 0 270.377 -0.832 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CCOCCO)CC1 ZINC001132993288 814207238 /nfs/dbraw/zinc/20/72/38/814207238.db2.gz RRFHYASYEQPSDW-UHFFFAOYSA-N 2 0 273.377 -0.957 20 0 CBADRP Cn1cc(C[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)cn1 ZINC001132993069 814207324 /nfs/dbraw/zinc/20/73/24/814207324.db2.gz MFYFTRWOVGJQFL-UHFFFAOYSA-N 2 0 279.388 -0.032 20 0 CBADRP Cc1nc(C)n(CC[NH2+]CCNC(=O)CCC[NH+](C)C)n1 ZINC001133040574 814211482 /nfs/dbraw/zinc/21/14/82/814211482.db2.gz XHIQYMYMTZOGEZ-UHFFFAOYSA-N 2 0 296.419 -0.057 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040435 814211856 /nfs/dbraw/zinc/21/18/56/814211856.db2.gz QVGUYKBOZVEIPL-UHFFFAOYSA-N 2 0 272.393 -0.441 20 0 CBADRP C[NH+](C)CCCC(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001133048024 814212380 /nfs/dbraw/zinc/21/23/80/814212380.db2.gz FBFPZGZUOITVNO-GFCCVEGCSA-N 2 0 294.403 -0.187 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040343 814212627 /nfs/dbraw/zinc/21/26/27/814212627.db2.gz MFTUEQKDXDYOFN-UHFFFAOYSA-N 2 0 258.366 -0.878 20 0 CBADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C)C1CC1 ZINC001133051838 814212778 /nfs/dbraw/zinc/21/27/78/814212778.db2.gz REMDDHZDZBNHHW-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001133051508 814212871 /nfs/dbraw/zinc/21/28/71/814212871.db2.gz HKKNFZHNFFBTBV-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C)C1CC1 ZINC001133051839 814212993 /nfs/dbraw/zinc/21/29/93/814212993.db2.gz REMDDHZDZBNHHW-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001133073597 814213619 /nfs/dbraw/zinc/21/36/19/814213619.db2.gz WGOKVSROEDIBAD-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001133090322 814214574 /nfs/dbraw/zinc/21/45/74/814214574.db2.gz GFRKSYDDSFVUMD-VXGBXAGGSA-N 2 0 284.404 -0.502 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001133224777 814232245 /nfs/dbraw/zinc/23/22/45/814232245.db2.gz DVQJOBALEWTGKP-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001133274339 814233849 /nfs/dbraw/zinc/23/38/49/814233849.db2.gz GMAVANNXTZIXJZ-STQMWFEESA-N 2 0 298.431 -0.112 20 0 CBADRP C[NH+]1CCC(C(=O)NCC[NH2+][C@H]2CCCNC2=O)CC1 ZINC001133287672 814235505 /nfs/dbraw/zinc/23/55/05/814235505.db2.gz LRMNJYZZYVBYLT-LBPRGKRZSA-N 2 0 282.388 -0.687 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001133287352 814235589 /nfs/dbraw/zinc/23/55/89/814235589.db2.gz ILLKEZXYKOEGQK-GFCCVEGCSA-N 2 0 284.404 -0.440 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133287868 814235729 /nfs/dbraw/zinc/23/57/29/814235729.db2.gz NUZJWHJXFJRTLJ-UHFFFAOYSA-N 2 0 298.431 -0.099 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133287640 814236187 /nfs/dbraw/zinc/23/61/87/814236187.db2.gz KKXJXJHAQBYPKA-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001133281852 814236419 /nfs/dbraw/zinc/23/64/19/814236419.db2.gz PPUMCYUKCSXJQB-GFCCVEGCSA-N 2 0 282.388 -0.735 20 0 CBADRP COc1ccc(C[NH2+]CCNC(=O)CC[NH+](C)C)nn1 ZINC001133294861 814239915 /nfs/dbraw/zinc/23/99/15/814239915.db2.gz XLGPQJKXFGRHLN-UHFFFAOYSA-N 2 0 281.360 -0.357 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001133433871 814253558 /nfs/dbraw/zinc/25/35/58/814253558.db2.gz CLYIXEPZBVZASD-VXGBXAGGSA-N 2 0 284.404 -0.491 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1)[NH+](C)C ZINC001133434348 814254166 /nfs/dbraw/zinc/25/41/66/814254166.db2.gz NJLNSUUVPDORTA-WCQYABFASA-N 2 0 298.431 -0.055 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CCOCCO)[NH+](CC)CC ZINC001133688042 814287945 /nfs/dbraw/zinc/28/79/45/814287945.db2.gz SFQMQVMRICSLRE-ZDUSSCGKSA-N 2 0 289.420 -0.179 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)C(N)=O ZINC001133820043 814299314 /nfs/dbraw/zinc/29/93/14/814299314.db2.gz WMALJEYZARSTDB-UWVGGRQHSA-N 2 0 256.350 -0.950 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CCn1cncn1 ZINC001133823907 814301276 /nfs/dbraw/zinc/30/12/76/814301276.db2.gz SARIAJCXQVHGPI-GFCCVEGCSA-N 2 0 280.376 -0.532 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@@H+]2CCC[C@H]2C)C1=O ZINC001133823474 814303110 /nfs/dbraw/zinc/30/31/10/814303110.db2.gz HKGCCEXWLDGSRH-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)C[N@@H+]2CCC[C@@H]2C)C1=O ZINC001133823477 814303159 /nfs/dbraw/zinc/30/31/59/814303159.db2.gz HKGCCEXWLDGSRH-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1=O ZINC001133845690 814306958 /nfs/dbraw/zinc/30/69/58/814306958.db2.gz LRVYXRJATQOIGB-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133846296 814308130 /nfs/dbraw/zinc/30/81/30/814308130.db2.gz YECCYPKNSVKIPQ-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001133850702 814309002 /nfs/dbraw/zinc/30/90/02/814309002.db2.gz QGMVAWLTJNGRJC-CYBMUJFWSA-N 2 0 288.367 -0.610 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001133845512 814309598 /nfs/dbraw/zinc/30/95/98/814309598.db2.gz HPYNFSAJQJATOG-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCn1cccn1 ZINC001133862842 814310089 /nfs/dbraw/zinc/31/00/89/814310089.db2.gz GUTDAQBSZSWGJA-OLZOCXBDSA-N 2 0 279.388 -0.213 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001133863957 814310409 /nfs/dbraw/zinc/31/04/09/814310409.db2.gz RZWPPHYRBIFTCB-AAEUAGOBSA-N 2 0 296.415 -0.584 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001133853485 814310425 /nfs/dbraw/zinc/31/04/25/814310425.db2.gz LKBLMDPWPDZRHO-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001133853484 814311159 /nfs/dbraw/zinc/31/11/59/814311159.db2.gz LKBLMDPWPDZRHO-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133863923 814311574 /nfs/dbraw/zinc/31/15/74/814311574.db2.gz RHPDXNLTYQAEBI-NEPJUHHUSA-N 2 0 284.404 -0.584 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133863323 814312282 /nfs/dbraw/zinc/31/22/82/814312282.db2.gz LDGIAOSRDHZXLG-OLZOCXBDSA-N 2 0 298.431 -0.338 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001133866714 814313112 /nfs/dbraw/zinc/31/31/12/814313112.db2.gz OBHOBONSQHPLIK-QWHCGFSZSA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001133865206 814313675 /nfs/dbraw/zinc/31/36/75/814313675.db2.gz AICDHWRQJCNJBU-DGCLKSJQSA-N 2 0 296.415 -0.584 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ccnn1C ZINC001133866690 814316337 /nfs/dbraw/zinc/31/63/37/814316337.db2.gz NRUSULWCEQVJHR-AAEUAGOBSA-N 2 0 279.388 -0.176 20 0 CBADRP CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133870426 814316801 /nfs/dbraw/zinc/31/68/01/814316801.db2.gz SZBSYMFYEQRGKZ-CHWSQXEVSA-N 2 0 298.431 -0.194 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cnnn1C ZINC001133870435 814317629 /nfs/dbraw/zinc/31/76/29/814317629.db2.gz UAEMDSDSHKPZQQ-JQWIXIFHSA-N 2 0 280.376 -0.781 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1)C(N)=O ZINC001133896698 814320488 /nfs/dbraw/zinc/32/04/88/814320488.db2.gz OUROLNRIOWGQBB-SNVBAGLBSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H](O)C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133896865 814320713 /nfs/dbraw/zinc/32/07/13/814320713.db2.gz SLYBQHYMVSUMQC-NSHDSACASA-N 2 0 257.378 -0.195 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1)[NH+](C)C ZINC001133965748 814330768 /nfs/dbraw/zinc/33/07/68/814330768.db2.gz IPYIPPUWCVGGOI-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CCC1=O)[NH+](C)C ZINC001133968189 814330966 /nfs/dbraw/zinc/33/09/66/814330966.db2.gz RCUFQNAKCJORQQ-NSHDSACASA-N 2 0 298.387 -0.819 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1)[NH+](C)C ZINC001133967709 814331046 /nfs/dbraw/zinc/33/10/46/814331046.db2.gz APIBMHNJGTVSLB-STQMWFEESA-N 2 0 297.403 -0.710 20 0 CBADRP C[C@H](COCC(=O)NCC[NH2+]C[C@H](C)O)[NH+]1CCCC1 ZINC001134020882 814339555 /nfs/dbraw/zinc/33/95/55/814339555.db2.gz JJKOBXRWOFUOEZ-OLZOCXBDSA-N 2 0 287.404 -0.426 20 0 CBADRP C[C@H](C(=O)NCC[NH2+]CCO)[NH+]1CCCCCC1 ZINC001134759552 814411850 /nfs/dbraw/zinc/41/18/50/814411850.db2.gz SPGFTBOLGCVUOR-GFCCVEGCSA-N 2 0 257.378 -0.051 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001134763117 814411960 /nfs/dbraw/zinc/41/19/60/814411960.db2.gz MJWSSPUCPFPOEO-NSHDSACASA-N 2 0 270.377 -0.560 20 0 CBADRP C[NH+]1CCC(CC(=O)NCC[NH2+]CCCO)CC1 ZINC001134780394 814412556 /nfs/dbraw/zinc/41/25/56/814412556.db2.gz FAGBAUKDGCQOMN-UHFFFAOYSA-N 2 0 257.378 -0.194 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001134780602 814412593 /nfs/dbraw/zinc/41/25/93/814412593.db2.gz NORBZCVKNJOOIW-GFCCVEGCSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)CC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001134780764 814412719 /nfs/dbraw/zinc/41/27/19/814412719.db2.gz VRQGZDGWEIWPQI-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+]1CCC(CC(=O)NCC[NH2+][C@H]2CCNC2=O)CC1 ZINC001134780317 814413470 /nfs/dbraw/zinc/41/34/70/814413470.db2.gz AGNCZTAHEITIBJ-LBPRGKRZSA-N 2 0 282.388 -0.687 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135096046 814436771 /nfs/dbraw/zinc/43/67/71/814436771.db2.gz ZIPHLPLUBKMENO-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C)C(N)=O ZINC001159931609 815605963 /nfs/dbraw/zinc/60/59/63/815605963.db2.gz GTTXOLUTOQNUGQ-NWDGAFQWSA-N 2 0 284.404 -0.314 20 0 CBADRP CN1CC[C@H]([NH2+]CCCNC(=O)[C@H](C2CC2)[NH+](C)C)C1=O ZINC001159931486 815606839 /nfs/dbraw/zinc/60/68/39/815606839.db2.gz DVTNKMMSZKWQMI-STQMWFEESA-N 2 0 296.415 -0.347 20 0 CBADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)C(C)C ZINC001135474136 814477227 /nfs/dbraw/zinc/47/72/27/814477227.db2.gz HVJOGMLTSZGLPA-RYUDHWBXSA-N 2 0 286.420 -0.068 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1ccnn1C ZINC001135507879 814479592 /nfs/dbraw/zinc/47/95/92/814479592.db2.gz AKPAJVRBFPYIED-UHFFFAOYSA-N 2 0 267.377 -0.032 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001135511640 814480565 /nfs/dbraw/zinc/48/05/65/814480565.db2.gz WPLBVELHKRDWAW-UHFFFAOYSA-N 2 0 270.377 -0.687 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001135513787 814481973 /nfs/dbraw/zinc/48/19/73/814481973.db2.gz YQHWIKSPVIJJKQ-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001135513661 814482022 /nfs/dbraw/zinc/48/20/22/814482022.db2.gz UCABTPORHWCBBE-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001135523857 814483478 /nfs/dbraw/zinc/48/34/78/814483478.db2.gz NBDYSZUQAURMSR-ZDUSSCGKSA-N 2 0 297.403 -0.708 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001160274196 815614654 /nfs/dbraw/zinc/61/46/54/815614654.db2.gz QKVNYNUIBDXKCW-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP CC1CC[NH+](CC(=O)NCC[NH2+]CCn2cncn2)CC1 ZINC001135702556 814511774 /nfs/dbraw/zinc/51/17/74/814511774.db2.gz LZVXAXHUKPKLAN-UHFFFAOYSA-N 2 0 294.403 -0.284 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2C[C@H]1C[C@H]2F ZINC001160428806 815620372 /nfs/dbraw/zinc/62/03/72/815620372.db2.gz WJSQEDHMTQEMIW-FTYKPCCVSA-N 2 0 284.379 -0.304 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160427068 815619508 /nfs/dbraw/zinc/61/95/08/815619508.db2.gz MMDVGUKGHRMADH-OLZOCXBDSA-N 2 0 289.420 -0.324 20 0 CBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC(N)=O)[NH+](C)C ZINC001160427287 815619642 /nfs/dbraw/zinc/61/96/42/815619642.db2.gz OMZULUBIMXGANS-NSHDSACASA-N 2 0 258.366 -0.846 20 0 CBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]CCCO)CC1 ZINC001135963259 814541088 /nfs/dbraw/zinc/54/10/88/814541088.db2.gz DALOMBHSASNIPI-UHFFFAOYSA-N 2 0 273.377 -0.815 20 0 CBADRP OC[C@H]1C[NH2+]C[C@@H]1Nc1ncnc2c1CC[NH2+]CC2 ZINC001159671210 815583231 /nfs/dbraw/zinc/58/32/31/815583231.db2.gz IOXUBWVIPCYQDQ-SKDRFNHKSA-N 2 0 263.345 -0.843 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC1(CO)CC[NH+](C)CC1 ZINC001142591116 814721030 /nfs/dbraw/zinc/72/10/30/814721030.db2.gz ZUUMUEMIROPEFF-UHFFFAOYSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+]1CC(C(=O)n2ccc([C@@H]3CCC[NH2+]3)nc2=N)C1 ZINC001142594217 814721617 /nfs/dbraw/zinc/72/16/17/814721617.db2.gz CFLDKMVQFKGQGU-JTQLQIEISA-N 2 0 261.329 -0.011 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001142634928 814726850 /nfs/dbraw/zinc/72/68/50/814726850.db2.gz CQHWATNQSQPWMC-GFCCVEGCSA-N 2 0 283.372 -0.179 20 0 CBADRP OC[C@H]1C[NH2+]C[C@@H]1Nc1nc(Cl)nc2c1C[NH2+]CC2 ZINC001159673393 815585732 /nfs/dbraw/zinc/58/57/32/815585732.db2.gz WOISNXGTLDLTGB-XCBNKYQSSA-N 2 0 283.763 -0.232 20 0 CBADRP CN1CC[NH+](CCC(=O)N2CC([NH+](C)C)C2)CC1 ZINC001143224259 814763425 /nfs/dbraw/zinc/76/34/25/814763425.db2.gz QICXOBBHAPMJDD-UHFFFAOYSA-N 2 0 254.378 -0.604 20 0 CBADRP CN(C)C(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001143275922 814767414 /nfs/dbraw/zinc/76/74/14/814767414.db2.gz YLVYPISTIZRCCY-UHFFFAOYSA-N 2 0 286.420 -0.193 20 0 CBADRP OC[C@H]1C[NH2+]C[C@@H]1Nc1ccc(OC2CC[NH2+]CC2)nn1 ZINC001159684184 815588612 /nfs/dbraw/zinc/58/86/12/815588612.db2.gz ZPNNETGIMIBIEU-PWSUYJOCSA-N 2 0 293.371 -0.400 20 0 CBADRP CN(CC(=O)N1CC[NH+](C2CCOCC2)CC1)C(N)=[NH2+] ZINC001144132118 814773433 /nfs/dbraw/zinc/77/34/33/814773433.db2.gz FTKNCJBALXQTJB-UHFFFAOYSA-N 2 0 283.376 -0.865 20 0 CBADRP CC(=O)N1CCC[C@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001144319918 814774852 /nfs/dbraw/zinc/77/48/52/814774852.db2.gz NJJQLZTWGBEXDN-JTQLQIEISA-N 2 0 269.349 -0.542 20 0 CBADRP CC(C)[NH+]1CCC(C(=O)NCC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001146384386 814837591 /nfs/dbraw/zinc/83/75/91/814837591.db2.gz QAQZROSDOIIXGU-CYBMUJFWSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[NH+]1CCC(C(=O)NCC[NH2+][C@@H](C)C(N)=O)CC1 ZINC001146376971 814837600 /nfs/dbraw/zinc/83/76/00/814837600.db2.gz QDONHQQKMOMMCL-NSHDSACASA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)[NH+]1CCC(C(=O)NCC[NH2+][C@H]2CCNC2=O)CC1 ZINC001146384387 814837795 /nfs/dbraw/zinc/83/77/95/814837795.db2.gz QAQZROSDOIIXGU-ZDUSSCGKSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CCOCCO ZINC001146710276 814843957 /nfs/dbraw/zinc/84/39/57/814843957.db2.gz JBKUYUXBUASAEM-UHFFFAOYSA-N 2 0 261.366 -0.957 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001146718685 814844987 /nfs/dbraw/zinc/84/49/87/814844987.db2.gz FSWOLFFZJRAYNY-UHFFFAOYSA-N 2 0 270.377 -0.734 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1ccnn1C ZINC001146718846 814845028 /nfs/dbraw/zinc/84/50/28/814845028.db2.gz HZJFXLJDKGPHIN-UHFFFAOYSA-N 2 0 267.377 -0.032 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001146719906 814845877 /nfs/dbraw/zinc/84/58/77/814845877.db2.gz WAPHCSVBSAYHLR-UHFFFAOYSA-N 2 0 270.377 -0.687 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccc[nH]c1=O ZINC001147185499 814879578 /nfs/dbraw/zinc/87/95/78/814879578.db2.gz IMJHVYCXRSJPCJ-UHFFFAOYSA-N 2 0 251.290 -0.138 20 0 CBADRP O=C(NCC[NH2+]CCO)C1CC[NH+](CC2CC2)CC1 ZINC001147300820 814887946 /nfs/dbraw/zinc/88/79/46/814887946.db2.gz DVMYTPAWKYMDNZ-UHFFFAOYSA-N 2 0 269.389 -0.194 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[NH2+]CCO)C1 ZINC001147834773 814917496 /nfs/dbraw/zinc/91/74/96/814917496.db2.gz MJGVSTYQXLQNEF-NWDGAFQWSA-N 2 0 257.378 -0.195 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001147826239 814917366 /nfs/dbraw/zinc/91/73/66/814917366.db2.gz SXUYEFDNZLVHSS-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001147826238 814917382 /nfs/dbraw/zinc/91/73/82/814917382.db2.gz SXUYEFDNZLVHSS-GHMZBOCLSA-N 2 0 270.377 -0.702 20 0 CBADRP Cn1cc(CC[NH2+]CCNC(=O)COCC[NH+](C)C)cn1 ZINC001147848373 814920334 /nfs/dbraw/zinc/92/03/34/814920334.db2.gz MJVVWJMGAVZZRY-UHFFFAOYSA-N 2 0 297.403 -0.753 20 0 CBADRP Cn1nccc1C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147876973 814920887 /nfs/dbraw/zinc/92/08/87/814920887.db2.gz AZIPOGAYPMVUON-GFCCVEGCSA-N 2 0 279.388 -0.032 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147885631 814922656 /nfs/dbraw/zinc/92/26/56/814922656.db2.gz OBCKKNAHIMJKNF-ZDUSSCGKSA-N 2 0 287.404 -0.303 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001147877411 814922825 /nfs/dbraw/zinc/92/28/25/814922825.db2.gz JGBVURUPVQFEEY-ZDUSSCGKSA-N 2 0 296.415 -0.440 20 0 CBADRP CC[C@@]([NH3+])(CO)Nc1ncnc2c1CC[NH2+]CC2 ZINC001159739611 815590620 /nfs/dbraw/zinc/59/06/20/815590620.db2.gz JQWXDSWSSKMLES-LBPRGKRZSA-N 2 0 251.334 -0.366 20 0 CBADRP CC[C@]([NH3+])(CO)Nc1cncc(N2CC[NH2+]CC2)n1 ZINC001159744341 815591798 /nfs/dbraw/zinc/59/17/98/815591798.db2.gz QAKNUCMBPXWJOO-GFCCVEGCSA-N 2 0 266.349 -0.645 20 0 CBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156164 815610080 /nfs/dbraw/zinc/61/00/80/815610080.db2.gz ODIHWVGORMSQED-YIYPIFLZSA-N 2 0 295.383 -0.969 20 0 CBADRP COCCN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)C1CC[NH+](C)CC1 ZINC001160441750 815622125 /nfs/dbraw/zinc/62/21/25/815622125.db2.gz XHGDAHNCYYUIGA-CHWSQXEVSA-N 2 0 285.388 -0.722 20 0 CBADRP C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160451519 815623588 /nfs/dbraw/zinc/62/35/88/815623588.db2.gz QBMAIPUSKFMTFI-GHMZBOCLSA-N 2 0 280.372 -0.793 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001160453944 815623626 /nfs/dbraw/zinc/62/36/26/815623626.db2.gz HARJXSIIYNJHKJ-VXGBXAGGSA-N 2 0 255.362 -0.633 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001160454331 815623724 /nfs/dbraw/zinc/62/37/24/815623724.db2.gz MNTWOIRZZPXTHB-UKRRQHHQSA-N 2 0 280.416 -0.262 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001160453974 815623852 /nfs/dbraw/zinc/62/38/52/815623852.db2.gz IKAPHNVUFJBVHL-CQSZACIVSA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001160459671 815624779 /nfs/dbraw/zinc/62/47/79/815624779.db2.gz PMJBADWMLVKYQF-ZDUSSCGKSA-N 3 0 268.405 -0.229 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001160456737 815624802 /nfs/dbraw/zinc/62/48/02/815624802.db2.gz PYSPXIKFVMQPNS-UKRRQHHQSA-N 3 0 280.416 -0.357 20 0 CBADRP C[NH2+]CC1CCN(C(=O)CNC2CC[NH2+]CC2)CC1 ZINC001160457106 815624896 /nfs/dbraw/zinc/62/48/96/815624896.db2.gz XRFXAIWJMMORSD-UHFFFAOYSA-N 2 0 268.405 -0.214 20 0 CBADRP NC(=O)N1CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160456532 815624907 /nfs/dbraw/zinc/62/49/07/815624907.db2.gz LZKDUZRCVLRBLR-JTQLQIEISA-N 2 0 271.365 -0.944 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160459973 815625140 /nfs/dbraw/zinc/62/51/40/815625140.db2.gz USTZFGGAENARQA-CQSZACIVSA-N 3 0 297.447 -0.805 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001160455009 815625239 /nfs/dbraw/zinc/62/52/39/815625239.db2.gz WKHWJQYIHNVWHS-MELADBBJSA-N 2 0 280.416 -0.264 20 0 CBADRP CCN(CCC(N)=O)C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001160471091 815626144 /nfs/dbraw/zinc/62/61/44/815626144.db2.gz ODMLNUJYWCTWMK-JTQLQIEISA-N 2 0 258.366 -0.443 20 0 CBADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCC2(C1)OCCO2 ZINC001160471482 815626241 /nfs/dbraw/zinc/62/62/41/815626241.db2.gz ZPXPSTOVUPVKIR-GFCCVEGCSA-N 2 0 295.383 -0.164 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC2(C1)OCCO2 ZINC001160470925 815626275 /nfs/dbraw/zinc/62/62/75/815626275.db2.gz LHNILRUURHLSFV-NSHDSACASA-N 2 0 271.361 -0.321 20 0 CBADRP CCN(CCC(N)=O)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160471372 815626403 /nfs/dbraw/zinc/62/64/03/815626403.db2.gz VHMQEVGBOOMBOV-NSHDSACASA-N 2 0 282.388 -0.416 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCn2cccc2C1 ZINC001160476750 815628628 /nfs/dbraw/zinc/62/86/28/815628628.db2.gz MOUCRVFWGYBOPC-AWEZNQCLSA-N 2 0 291.399 -0.419 20 0 CBADRP O=C([C@H]1[NH2+]CC[C@H]1O)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490888 815629870 /nfs/dbraw/zinc/62/98/70/815629870.db2.gz LFOZNZMOXQVEFK-OLZOCXBDSA-N 2 0 283.372 -0.968 20 0 CBADRP [NH3+]C1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccnn3C2)CC1 ZINC001160504261 815630828 /nfs/dbraw/zinc/63/08/28/815630828.db2.gz KGONRRNENLVEOT-SNVBAGLBSA-N 2 0 263.345 -0.448 20 0 CBADRP [NH3+]C1CCN(C(=O)[C@H]2C[NH2+]Cc3ccnn3C2)CC1 ZINC001160504259 815631614 /nfs/dbraw/zinc/63/16/14/815631614.db2.gz KGONRRNENLVEOT-JTQLQIEISA-N 2 0 263.345 -0.448 20 0 CBADRP [NH3+]C1CCN(C(=O)c2cnc(N3CC[NH2+]CC3)cn2)CC1 ZINC001160516589 815632548 /nfs/dbraw/zinc/63/25/48/815632548.db2.gz AATJVIAJGSZOBF-UHFFFAOYSA-N 2 0 290.371 -0.551 20 0 CBADRP [NH3+]C[C@]1(Nc2cc(C3C[NH2+]C3)ncn2)CN2CCC1CC2 ZINC001160516801 815632554 /nfs/dbraw/zinc/63/25/54/815632554.db2.gz JYADUACXJZEEBF-HNNXBMFYSA-N 3 0 288.399 -0.002 20 0 CBADRP C[NH2+][C@H]1CCCN(CC(=O)N2CCC([NH3+])CC2)C1 ZINC001160515808 815632967 /nfs/dbraw/zinc/63/29/67/815632967.db2.gz VJAWXPYWOALOMM-LBPRGKRZSA-N 2 0 254.378 -0.380 20 0 CBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC(CO)C1 ZINC001160531533 815633699 /nfs/dbraw/zinc/63/36/99/815633699.db2.gz SESXYEATLDNGRH-NSHDSACASA-N 2 0 253.346 -0.689 20 0 CBADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001160541601 815634952 /nfs/dbraw/zinc/63/49/52/815634952.db2.gz DKVXQVIHFRXKAQ-LSJOCFKGSA-N 2 0 277.328 -0.850 20 0 CBADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)C[C@H]1COCC[NH2+]1 ZINC001160541598 815635074 /nfs/dbraw/zinc/63/50/74/815635074.db2.gz DIYMQIAZCPHKIK-WDEREUQCSA-N 2 0 291.355 -0.194 20 0 CBADRP Cn1cc2c(n1)CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001160556777 815637336 /nfs/dbraw/zinc/63/73/36/815637336.db2.gz BFQVDVIMVPTRJJ-JTQLQIEISA-N 2 0 283.401 -0.676 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC2(CCC(=O)O2)CC1 ZINC001160575740 815640184 /nfs/dbraw/zinc/64/01/84/815640184.db2.gz GVVWKOXUEMNONZ-SNVBAGLBSA-N 2 0 269.345 -0.249 20 0 CBADRP CC(C)(C)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC1 ZINC001160578384 815641600 /nfs/dbraw/zinc/64/16/00/815641600.db2.gz YCTOELZYDKHMLY-LLVKDONJSA-N 2 0 299.419 -0.295 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC[C@H](CCO)C1 ZINC001160611397 815644710 /nfs/dbraw/zinc/64/47/10/815644710.db2.gz UGDLGDSYHKUBFC-TZMCWYRMSA-N 2 0 298.431 -0.642 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H](N)C[NH3+] ZINC001160629256 815644726 /nfs/dbraw/zinc/64/47/26/815644726.db2.gz LNSXUQZOTSVFEY-LBPRGKRZSA-N 3 0 273.425 -0.996 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@H](CCO)C1 ZINC001160610469 815645486 /nfs/dbraw/zinc/64/54/86/815645486.db2.gz DCMRVCHMCRZMAD-NEPJUHHUSA-N 2 0 267.373 -0.584 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC[C@H](CCO)C1 ZINC001160611395 815645679 /nfs/dbraw/zinc/64/56/79/815645679.db2.gz UGDLGDSYHKUBFC-OCCSQVGLSA-N 2 0 298.431 -0.642 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001160629527 815646756 /nfs/dbraw/zinc/64/67/56/815646756.db2.gz TXCLLTFOXLUGJG-KBPBESRZSA-N 3 0 299.463 -0.735 20 0 CBADRP COC(=O)[C@]1(C)CCCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001160634787 815646790 /nfs/dbraw/zinc/64/67/90/815646790.db2.gz DPBWKQBBRMYETL-SMDDNHRTSA-N 2 0 295.383 -0.403 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](n2cncn2)C1 ZINC001160638480 815648619 /nfs/dbraw/zinc/64/86/19/815648619.db2.gz UMSAGUMKRNTOLT-RYUDHWBXSA-N 2 0 280.376 -0.102 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCC[C@@H](n2cncn2)C1)C1CC[NH2+]CC1 ZINC001160638690 815648683 /nfs/dbraw/zinc/64/86/83/815648683.db2.gz XYMOUBHTBQGRFF-CHWSQXEVSA-N 2 0 292.387 -0.232 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])Cc2cccc(O)c2)CCO1 ZINC001160644070 815650972 /nfs/dbraw/zinc/65/09/72/815650972.db2.gz RKAVUDUJGANULE-QWHCGFSZSA-N 2 0 279.340 -0.552 20 0 CBADRP CO[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001160647559 815651934 /nfs/dbraw/zinc/65/19/34/815651934.db2.gz NFQOZMCNCDFSPG-GHMZBOCLSA-N 2 0 253.346 -0.567 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)C[C@@H]1F ZINC001160648875 815652098 /nfs/dbraw/zinc/65/20/98/815652098.db2.gz GDINTKJSZAILLN-ZOBORPQBSA-N 2 0 298.406 -0.042 20 0 CBADRP C[NH+](C)C1(C)CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001160646488 815652177 /nfs/dbraw/zinc/65/21/77/815652177.db2.gz ZGTBJXLHJYMWFC-GARJFASQSA-N 2 0 252.362 -0.901 20 0 CBADRP C[NH+](C)C1(C)CN(C(=O)CNC2CC[NH2+]CC2)C1 ZINC001160646489 815652265 /nfs/dbraw/zinc/65/22/65/815652265.db2.gz ZHLJFVFKCURUDI-UHFFFAOYSA-N 2 0 254.378 -0.510 20 0 CBADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001160654709 815652636 /nfs/dbraw/zinc/65/26/36/815652636.db2.gz AAGVGGSSOYLVEF-HZSPNIEDSA-N 2 0 293.367 -0.515 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)C23CCC([NH3+])(CC2)CC3)C[C@H]1O ZINC001160655436 815653072 /nfs/dbraw/zinc/65/30/72/815653072.db2.gz LSHAAKKNZDJBKU-IENTYSSBSA-N 2 0 267.373 -0.041 20 0 CBADRP C[C@@H]1C[C@H](O)CCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160656344 815653146 /nfs/dbraw/zinc/65/31/46/815653146.db2.gz VJYZLEGRMSPJMS-RTXFEEFZSA-N 2 0 284.404 -0.891 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2[NH2+]CC[C@H]2O)CC1 ZINC001160671715 815655143 /nfs/dbraw/zinc/65/51/43/815655143.db2.gz DAUNTSWEHQYFMD-OLZOCXBDSA-N 2 0 297.399 -0.578 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001160670291 815655236 /nfs/dbraw/zinc/65/52/36/815655236.db2.gz WAFSKHJSLUMTPE-QWHCGFSZSA-N 2 0 297.399 -0.720 20 0 CBADRP CC(C)[C@H]1COCCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160669922 815655310 /nfs/dbraw/zinc/65/53/10/815655310.db2.gz OJBHBFDRZSEFIO-NWDGAFQWSA-N 2 0 267.373 -0.321 20 0 CBADRP CC(C)[C@H]1COCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160670314 815655376 /nfs/dbraw/zinc/65/53/76/815655376.db2.gz WTWVYXSUPBKKQD-ZIAGYGMSSA-N 2 0 298.431 -0.380 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)CNCC[NH3+])CC1 ZINC001160670287 815655387 /nfs/dbraw/zinc/65/53/87/815655387.db2.gz VZQGCHACLSXJAG-UHFFFAOYSA-N 2 0 284.404 -0.752 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2N)CC1 ZINC001160671853 815655809 /nfs/dbraw/zinc/65/58/09/815655809.db2.gz DYWSFWHRQPCXLJ-STQMWFEESA-N 2 0 296.415 -0.754 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160688982 815656771 /nfs/dbraw/zinc/65/67/71/815656771.db2.gz RYHVKPPVQFXFPI-LBPRGKRZSA-N 3 0 266.389 -0.650 20 0 CBADRP COC(CN(C)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)OC ZINC001160683930 815657314 /nfs/dbraw/zinc/65/73/14/815657314.db2.gz OTOLYNVJECLMCT-NSHDSACASA-N 2 0 285.388 -0.062 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001160688070 815657590 /nfs/dbraw/zinc/65/75/90/815657590.db2.gz MNKZAXHJTDLIDL-OCCSQVGLSA-N 2 0 266.389 -0.508 20 0 CBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001160695488 815658778 /nfs/dbraw/zinc/65/87/78/815658778.db2.gz MQHFFMPDYPEXDG-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001160695993 815658902 /nfs/dbraw/zinc/65/89/02/815658902.db2.gz SCHIJXWDOOOOAO-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160695409 815658972 /nfs/dbraw/zinc/65/89/72/815658972.db2.gz LBPPKZKTLNBGFQ-GZBFAFLISA-N 3 0 280.416 -0.357 20 0 CBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001160695794 815659022 /nfs/dbraw/zinc/65/90/22/815659022.db2.gz QAPTWVIVCSMXLV-ZDEQEGDKSA-N 2 0 266.389 -0.606 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N(C)C[C@H]1CCC[NH2+]C1 ZINC001160698527 815660459 /nfs/dbraw/zinc/66/04/59/815660459.db2.gz LRYWMHXFHZZHTH-OBJOEFQTSA-N 2 0 298.431 -0.066 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH2+]C[C@@H]3F)C[C@H]2C1 ZINC001160703339 815660875 /nfs/dbraw/zinc/66/08/75/815660875.db2.gz BRKZPZGJCIYWSJ-KXNHARMFSA-N 2 0 255.337 -0.046 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)CNC3CC[NH2+]CC3)C[C@H]2C1 ZINC001160704778 815661632 /nfs/dbraw/zinc/66/16/32/815661632.db2.gz NYSJJFGORZRWJG-TXEJJXNPSA-N 2 0 266.389 -0.652 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC001160705788 815662189 /nfs/dbraw/zinc/66/21/89/815662189.db2.gz RWKXZRXXPXMKLK-SFYZADRCSA-N 2 0 269.267 -0.158 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001160715399 815663019 /nfs/dbraw/zinc/66/30/19/815663019.db2.gz CEKAVKXHAGSLIY-JTQLQIEISA-N 2 0 296.371 -0.902 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC(n2cnnc2)CC1 ZINC001160718681 815663081 /nfs/dbraw/zinc/66/30/81/815663081.db2.gz QMNRPCXOGGOKSL-LLVKDONJSA-N 2 0 266.349 -0.492 20 0 CBADRP CN(C(=O)[C@H]([NH3+])CCC[NH3+])C1CCS(=O)(=O)CC1 ZINC001160718348 815663756 /nfs/dbraw/zinc/66/37/56/815663756.db2.gz GBBISSABHVBJQX-SNVBAGLBSA-N 2 0 277.390 -0.912 20 0 CBADRP O=C(N1CC[NH+]2CCC1CC2)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001160725526 815665861 /nfs/dbraw/zinc/66/58/61/815665861.db2.gz BUJHPSYYMVADAC-FZMZJTMJSA-N 2 0 264.373 -0.756 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCc2ccc(=O)[nH]c2CC1 ZINC001160756007 815667471 /nfs/dbraw/zinc/66/74/71/815667471.db2.gz YMCGCKKDPMIPQI-NSHDSACASA-N 2 0 278.356 -0.219 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCc2nccn2CC1)C1CC[NH2+]CC1 ZINC001160760202 815669335 /nfs/dbraw/zinc/66/93/35/815669335.db2.gz HGFAKTIFIMEGPR-CYBMUJFWSA-N 2 0 277.372 -0.405 20 0 CBADRP N[C@@H](C[NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160779703 815671329 /nfs/dbraw/zinc/67/13/29/815671329.db2.gz KVOAVRSVHDPWEU-IPYPFGDCSA-N 2 0 274.368 -0.728 20 0 CBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H](C)[NH3+])C[C@H]1C[NH2+]CC2 ZINC001160810627 815673434 /nfs/dbraw/zinc/67/34/34/815673434.db2.gz DIWGGBOKJNYIGU-GIPNMCIBSA-N 2 0 269.345 -0.665 20 0 CBADRP COC(=O)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]([NH3+])CCC[NH3+])C2 ZINC001160819724 815674601 /nfs/dbraw/zinc/67/46/01/815674601.db2.gz LJFZRIBOAUMZHY-FIQHERPVSA-N 2 0 283.372 -0.147 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CCOC[C@H]1C[NH+](C)C ZINC001160837322 815675882 /nfs/dbraw/zinc/67/58/82/815675882.db2.gz HXRCDPZRBCUHKI-OLZOCXBDSA-N 2 0 295.387 -0.921 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC001160838767 815675934 /nfs/dbraw/zinc/67/59/34/815675934.db2.gz LVFLGJQCRSPLFQ-WCQYABFASA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001160840596 815677605 /nfs/dbraw/zinc/67/76/05/815677605.db2.gz YKJXHAQAEABZHK-RYUDHWBXSA-N 2 0 287.404 -0.082 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001160883257 815684147 /nfs/dbraw/zinc/68/41/47/815684147.db2.gz IZZNYSWRXONJKD-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)C[C@@H]21 ZINC001160883377 815684185 /nfs/dbraw/zinc/68/41/85/815684185.db2.gz KIFPJYYBXOGSOP-MROQNXINSA-N 2 0 295.383 -0.419 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+][C@@H](C)c1nnnn1C)[NH+](C)C ZINC001160883783 815685235 /nfs/dbraw/zinc/68/52/35/815685235.db2.gz VATASYOLHFRGIS-WDEREUQCSA-N 2 0 297.407 -0.293 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C ZINC001160890043 815685301 /nfs/dbraw/zinc/68/53/01/815685301.db2.gz TVWDXMZTBKBSJK-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+][C@@H]1CCCNC1=O)[NH+](C)C ZINC001160883858 815685922 /nfs/dbraw/zinc/68/59/22/815685922.db2.gz WVELMQHRNAFUKX-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H]1CN(C)C(=O)CN1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001160941244 815690023 /nfs/dbraw/zinc/69/00/23/815690023.db2.gz IPQZXOMLDKRUPA-QWRGUYRKSA-N 2 0 270.377 -0.478 20 0 CBADRP CC(C)(C)C(=O)N1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001160952199 815690168 /nfs/dbraw/zinc/69/01/68/815690168.db2.gz RDICCXHQPKDKQF-LLVKDONJSA-N 2 0 284.404 -0.231 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160967017 815691006 /nfs/dbraw/zinc/69/10/06/815691006.db2.gz IJMCDPJEEFLYFT-IONNQARKSA-N 2 0 273.287 -0.526 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001160963367 815691394 /nfs/dbraw/zinc/69/13/94/815691394.db2.gz IOQJOEZTSZEQDS-NTZNESFSSA-N 2 0 269.345 -0.713 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)C2 ZINC001160962242 815691850 /nfs/dbraw/zinc/69/18/50/815691850.db2.gz BLLYQXPZWAZSRG-MPPDQPJWSA-N 2 0 253.346 -0.881 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)CNC1CC[NH2+]CC1)C2 ZINC001160962941 815691870 /nfs/dbraw/zinc/69/18/70/815691870.db2.gz HSLWLTGWXPMOTC-IUODEOHRSA-N 2 0 280.416 -0.262 20 0 CBADRP [NH3+][C@@H]1C[C@]2(C(=O)N3C[C@@H]([NH3+])CC(F)(F)C3)CC[C@H]1N2 ZINC001160968662 815692881 /nfs/dbraw/zinc/69/28/81/815692881.db2.gz UITQYTBOJGXASI-SJQPAMGKSA-N 2 0 274.315 -0.597 20 0 CBADRP C[NH+]1CCC2(CCN(C(=O)[C@@H](N)CC[NH3+])CC2)CC1 ZINC001160991397 815693218 /nfs/dbraw/zinc/69/32/18/815693218.db2.gz CLOVOSUVYHVGGM-LBPRGKRZSA-N 2 0 268.405 -0.003 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160970714 815693581 /nfs/dbraw/zinc/69/35/81/815693581.db2.gz ATJDISQMOGVTIN-BDAKNGLRSA-N 3 0 264.320 -0.362 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999586 815693584 /nfs/dbraw/zinc/69/35/84/815693584.db2.gz HWIVZXYWKGCWPE-QWHCGFSZSA-N 3 0 298.431 -0.581 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161006209 815694453 /nfs/dbraw/zinc/69/44/53/815694453.db2.gz AXPXTGIKQGPZKV-RYUDHWBXSA-N 2 0 299.415 -0.156 20 0 CBADRP [NH3+][C@@H](C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1)C1CC[NH2+]CC1 ZINC001161009744 815694887 /nfs/dbraw/zinc/69/48/87/815694887.db2.gz XSJNWTYXWFPHOQ-QWHCGFSZSA-N 3 0 296.415 -0.971 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001161033740 815700895 /nfs/dbraw/zinc/70/08/95/815700895.db2.gz ZAVHKLOQAPWNCJ-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CC(=O)[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161034905 815702251 /nfs/dbraw/zinc/70/22/51/815702251.db2.gz OYKFNOZSOPXCDW-QWRGUYRKSA-N 2 0 251.330 -0.767 20 0 CBADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001161034186 815702278 /nfs/dbraw/zinc/70/22/78/815702278.db2.gz BYYBMYLSYFBRJN-QWRGUYRKSA-N 2 0 280.372 -0.663 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001161043002 815702989 /nfs/dbraw/zinc/70/29/89/815702989.db2.gz WCRLKHLCYNRKHT-SNVBAGLBSA-N 2 0 256.350 -0.948 20 0 CBADRP Cn1nncc1C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161041860 815703315 /nfs/dbraw/zinc/70/33/15/815703315.db2.gz MYSBWTLCGADIEX-CYBMUJFWSA-N 2 0 294.403 -0.105 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001161041501 815703359 /nfs/dbraw/zinc/70/33/59/815703359.db2.gz JRZLYSIVALJGES-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161043009 815703615 /nfs/dbraw/zinc/70/36/15/815703615.db2.gz WGFVGIOGGAJZHH-RYUDHWBXSA-N 2 0 257.378 -0.053 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161043165 815703647 /nfs/dbraw/zinc/70/36/47/815703647.db2.gz YOCZKJODTXCIKE-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161043008 815703685 /nfs/dbraw/zinc/70/36/85/815703685.db2.gz WGFVGIOGGAJZHH-NWDGAFQWSA-N 2 0 257.378 -0.053 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCOCCO ZINC001161042696 815703953 /nfs/dbraw/zinc/70/39/53/815703953.db2.gz SEGCHPCKOYYNMF-ZDUSSCGKSA-N 2 0 287.404 -0.425 20 0 CBADRP CN(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161057850 815705085 /nfs/dbraw/zinc/70/50/85/815705085.db2.gz IAKPVJAGKLTUTQ-OBPIAQAESA-N 2 0 266.389 -0.335 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N(C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161058241 815705108 /nfs/dbraw/zinc/70/51/08/815705108.db2.gz QJBVKARJWYASIM-DCAQKATOSA-N 2 0 257.334 -0.395 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCCO ZINC001161052188 815705165 /nfs/dbraw/zinc/70/51/65/815705165.db2.gz IRLPSYRONBXGAJ-LBPRGKRZSA-N 2 0 257.378 -0.051 20 0 CBADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001161050837 815705513 /nfs/dbraw/zinc/70/55/13/815705513.db2.gz PZEQZPICWXXWBQ-STQMWFEESA-N 2 0 296.415 -0.123 20 0 CBADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161050478 815706223 /nfs/dbraw/zinc/70/62/23/815706223.db2.gz NPCNJUKMMVWFNY-QWHCGFSZSA-N 3 0 280.416 -0.264 20 0 CBADRP CN(C(=O)[C@]1(N)CCC[NH2+]C1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161062878 815706338 /nfs/dbraw/zinc/70/63/38/815706338.db2.gz KXRLGIYKVZEDOV-WZRBSPASSA-N 2 0 254.378 -0.204 20 0 CBADRP CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161065414 815706844 /nfs/dbraw/zinc/70/68/44/815706844.db2.gz RRRGPZCDVZTDCB-BFHYXJOUSA-N 3 0 297.447 -0.535 20 0 CBADRP CN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])[C@H]1CCCC[C@H]1[NH3+] ZINC001161063869 815707264 /nfs/dbraw/zinc/70/72/64/815707264.db2.gz NXJPHZXUBLFQDR-WOPDTQHZSA-N 2 0 282.388 -0.336 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@@H]21 ZINC001161080951 815708528 /nfs/dbraw/zinc/70/85/28/815708528.db2.gz AAQZPOCFHJEGCX-WOPDTQHZSA-N 3 0 286.445 -0.442 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C3(N)CC[NH2+]CC3)C[C@@H]21 ZINC001161080990 815709542 /nfs/dbraw/zinc/70/95/42/815709542.db2.gz AUZHPRYCABPCQD-RYUDHWBXSA-N 2 0 266.389 -0.380 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C[C@@H]3COCC[NH2+]3)C[C@H]21 ZINC001161084043 815710772 /nfs/dbraw/zinc/71/07/72/815710772.db2.gz WLAVQRUZFRWCOF-JHJVBQTASA-N 2 0 267.373 -0.083 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C[C@H]21 ZINC001161082409 815710915 /nfs/dbraw/zinc/71/09/15/815710915.db2.gz ORGMIPDSCRQSOY-QJPTWQEYSA-N 2 0 297.403 -0.685 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@H]21 ZINC001161081881 815711615 /nfs/dbraw/zinc/71/16/15/815711615.db2.gz MHOPJWZWXQOMBP-NOOOWODRSA-N 2 0 253.346 -0.738 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161085304 815711681 /nfs/dbraw/zinc/71/16/81/815711681.db2.gz STFAJTKVVFQFPM-GUBZILKMSA-N 2 0 255.318 -0.770 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@@H]21 ZINC001161081887 815711766 /nfs/dbraw/zinc/71/17/66/815711766.db2.gz MHOPJWZWXQOMBP-RHYQMDGZSA-N 2 0 253.346 -0.738 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@H]21 ZINC001161082048 815711905 /nfs/dbraw/zinc/71/19/05/815711905.db2.gz NJWKLGLBOCUEQN-USZNOCQGSA-N 2 0 253.346 -0.738 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)C[NH3+])C[C@@H]21 ZINC001161082885 815711919 /nfs/dbraw/zinc/71/19/19/815711919.db2.gz QGXNEEUBIZHCJF-AGIUHOORSA-N 2 0 294.399 -0.511 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@@H]21 ZINC001161082045 815711972 /nfs/dbraw/zinc/71/19/72/815711972.db2.gz NJWKLGLBOCUEQN-RHYQMDGZSA-N 2 0 253.346 -0.738 20 0 CBADRP CC(=O)N1CCC[C@H](N(C)C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161129439 815717208 /nfs/dbraw/zinc/71/72/08/815717208.db2.gz FTOYEJJQXCJBJM-UONOGXRCSA-N 2 0 296.415 -0.217 20 0 CBADRP CCN(CCC(=O)OC)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161129502 815717512 /nfs/dbraw/zinc/71/75/12/815717512.db2.gz COAFCGQIYZYCRM-SNVBAGLBSA-N 2 0 269.345 -0.793 20 0 CBADRP COC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)[C@@H]1C ZINC001161117876 815717685 /nfs/dbraw/zinc/71/76/85/815717685.db2.gz WEQLQWPKFKIABB-IJLUTSLNSA-N 2 0 295.383 -0.405 20 0 CBADRP COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)[C@@H]1C ZINC001161117877 815717767 /nfs/dbraw/zinc/71/77/67/815717767.db2.gz WEQLQWPKFKIABB-UTUOFQBUSA-N 2 0 295.383 -0.405 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCc2[nH]ccc2C1 ZINC001161134528 815719083 /nfs/dbraw/zinc/71/90/83/815719083.db2.gz BDYSHLYTJQYQIB-NSHDSACASA-N 2 0 260.341 -0.292 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCc2[nH]ccc2C1 ZINC001161134527 815719171 /nfs/dbraw/zinc/71/91/71/815719171.db2.gz BDYSHLYTJQYQIB-LLVKDONJSA-N 2 0 260.341 -0.292 20 0 CBADRP CO[C@H](C)C1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161146117 815722221 /nfs/dbraw/zinc/72/22/21/815722221.db2.gz MRYXKKYGSPYVKD-MWLCHTKSSA-N 2 0 253.346 -0.711 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@]1(C)CC[NH2+]C1 ZINC001161158609 815722759 /nfs/dbraw/zinc/72/27/59/815722759.db2.gz KFPFWDIBFLVSQA-ZDUSSCGKSA-N 2 0 271.361 -0.274 20 0 CBADRP CC(C)(O)CC[NH+]1CCN(C(=O)C[C@H](O)C[NH3+])CC1 ZINC001161175600 815724157 /nfs/dbraw/zinc/72/41/57/815724157.db2.gz MONFICPBSLEQJB-NSHDSACASA-N 2 0 273.377 -0.999 20 0 CBADRP CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)C[C@@H]2C1 ZINC001161175304 815724291 /nfs/dbraw/zinc/72/42/91/815724291.db2.gz KQRLZLCSCIWZRL-YYFQZIEXSA-N 2 0 292.427 -0.264 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)C[C@H]2C1 ZINC001161175235 815724854 /nfs/dbraw/zinc/72/48/54/815724854.db2.gz JFRSNMVFWDEYLS-NDBYEHHHSA-N 2 0 266.389 -0.667 20 0 CBADRP CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)C[C@@H]2C1 ZINC001161175234 815725011 /nfs/dbraw/zinc/72/50/11/815725011.db2.gz JFRSNMVFWDEYLS-CYDGBPFRSA-N 2 0 266.389 -0.667 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1Cc2ccnn2CC[C@@H]1CO ZINC001161171414 815725266 /nfs/dbraw/zinc/72/52/66/815725266.db2.gz LCADPLGFAAGRRF-OLZOCXBDSA-N 2 0 295.387 -0.567 20 0 CBADRP CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@@H]2C1 ZINC001161174610 815725276 /nfs/dbraw/zinc/72/52/76/815725276.db2.gz ATFCGCSIVCTYKD-WUHRBBMRSA-N 2 0 267.373 -0.491 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]([NH3+])COC(C)=O)C[C@H]2C1 ZINC001161176310 815726447 /nfs/dbraw/zinc/72/64/47/815726447.db2.gz SSQSLYJPKBDSBS-UPJWGTAASA-N 2 0 283.372 -0.323 20 0 CBADRP [NH3+][C@H](CO)CC(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161207626 815727497 /nfs/dbraw/zinc/72/74/97/815727497.db2.gz AXVCZSVWFHGYHJ-ZDUSSCGKSA-N 2 0 269.389 -0.066 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161218374 815728601 /nfs/dbraw/zinc/72/86/01/815728601.db2.gz HSBAGOFEBDXPBE-QNWHQSFQSA-N 3 0 268.405 -0.278 20 0 CBADRP CN(C(=O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161217114 815728878 /nfs/dbraw/zinc/72/88/78/815728878.db2.gz ASLVSVKIHZLUSF-ZSAUSMIDSA-N 2 0 292.427 -0.264 20 0 CBADRP C[C@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]3CCO[C@H]32)C[C@H](C)[NH2+]1 ZINC001161231996 815730158 /nfs/dbraw/zinc/73/01/58/815730158.db2.gz WWGDJHQDMLWOAC-KIJLLGNVSA-N 2 0 267.373 -0.180 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])[C@@H](C)CO1 ZINC001161235437 815732739 /nfs/dbraw/zinc/73/27/39/815732739.db2.gz QVQZAAZSOMNMTK-AEJSXWLSSA-N 2 0 261.391 -0.359 20 0 CBADRP [NH3+]C[C@@]1(F)CCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC001161246659 815734442 /nfs/dbraw/zinc/73/44/42/815734442.db2.gz NJLYTUAXSDOUKA-GWCFXTLKSA-N 2 0 286.351 -0.775 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC(N2CCCOC2=O)CC1 ZINC001161264511 815735885 /nfs/dbraw/zinc/73/58/85/815735885.db2.gz OKXJPGATXJXZKE-GFCCVEGCSA-N 2 0 298.387 -0.114 20 0 CBADRP CN(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001161289321 815736655 /nfs/dbraw/zinc/73/66/55/815736655.db2.gz QCCXYZMMZJNWQY-GHMZBOCLSA-N 2 0 285.392 -0.685 20 0 CBADRP Cc1c[nH+]ccc1N1CCN(C(=O)C[C@@H](O)C[NH3+])CC1 ZINC001161306660 815738434 /nfs/dbraw/zinc/73/84/34/815738434.db2.gz UTIFZOSTPWXPOO-GFCCVEGCSA-N 2 0 278.356 -0.252 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC2(CCC(=O)N2)CC1 ZINC001161297577 815738471 /nfs/dbraw/zinc/73/84/71/815738471.db2.gz ZEXABMHXAOCCAG-SNVBAGLBSA-N 2 0 268.361 -0.676 20 0 CBADRP [NH3+][C@H](C(=O)N1CCC2(CCC(=O)N2)CC1)C1CC[NH2+]CC1 ZINC001161298056 815738665 /nfs/dbraw/zinc/73/86/65/815738665.db2.gz FHQAGMPLFRXQPJ-ZDUSSCGKSA-N 2 0 294.399 -0.416 20 0 CBADRP Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC001161305893 815738669 /nfs/dbraw/zinc/73/86/69/815738669.db2.gz BXCJNZHPGKXGCO-STQMWFEESA-N 2 0 290.367 -0.239 20 0 CBADRP Cc1c[nH+]ccc1N1CCN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)CC1 ZINC001161309522 815740083 /nfs/dbraw/zinc/74/00/83/815740083.db2.gz RSCJNXCXEVZBOJ-KBPBESRZSA-N 2 0 290.367 -0.239 20 0 CBADRP CCN(C(=O)[C@@]1(N)CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001161329466 815741084 /nfs/dbraw/zinc/74/10/84/815741084.db2.gz CVGXCSOZSVWOIJ-DGCLKSJQSA-N 2 0 254.378 -0.332 20 0 CBADRP CCN(C(=O)C1(N)CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001161331279 815741156 /nfs/dbraw/zinc/74/11/56/815741156.db2.gz VYVKQLHKWAPWQC-NSHDSACASA-N 2 0 254.378 -0.332 20 0 CBADRP CCN(C(=O)[C@@H]1NC(=O)CC12C[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001161332372 815741266 /nfs/dbraw/zinc/74/12/66/815741266.db2.gz MNLACEMIMRGCMB-PWSUYJOCSA-N 2 0 280.372 -0.935 20 0 CBADRP CCN(C(=O)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1CCC[NH2+]C1 ZINC001161331922 815741272 /nfs/dbraw/zinc/74/12/72/815741272.db2.gz IPYIXLAXEGRSPZ-FVCCEPFGSA-N 2 0 267.373 -0.179 20 0 CBADRP CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1OC(C)=O)[C@H]1CCC[NH2+]C1 ZINC001161339866 815745382 /nfs/dbraw/zinc/74/53/82/815745382.db2.gz NEGGUIHSIFTQEO-XQQFMLRXSA-N 2 0 283.372 -0.262 20 0 CBADRP CCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001161340140 815745414 /nfs/dbraw/zinc/74/54/14/815745414.db2.gz PECYIOIMCFFAAH-QWHCGFSZSA-N 3 0 268.405 -0.086 20 0 CBADRP CC(C)N(C(=O)[C@@]12C[NH2+]C[C@H]1CCN2)[C@H]1CC[NH2+]C1 ZINC001161350668 815745453 /nfs/dbraw/zinc/74/54/53/815745453.db2.gz AZEODHMWLPQJCJ-MBNYWOFBSA-N 2 0 266.389 -0.463 20 0 CBADRP CC(C)N(C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2)[C@H]1CC[NH2+]C1 ZINC001161352696 815745825 /nfs/dbraw/zinc/74/58/25/815745825.db2.gz YSSBTOKQZKPNIU-SFTQSGBHSA-N 2 0 266.389 -0.193 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161376795 815749055 /nfs/dbraw/zinc/74/90/55/815749055.db2.gz DJFTVRGQKFUCTF-KBPBESRZSA-N 3 0 297.447 -0.533 20 0 CBADRP N[C@@]1(C(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)CCC[NH2+]C1 ZINC001161387977 815750204 /nfs/dbraw/zinc/75/02/04/815750204.db2.gz GUBKUQLIBAQKTA-ZFWWWQNUSA-N 2 0 296.415 -0.610 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161413859 815751147 /nfs/dbraw/zinc/75/11/47/815751147.db2.gz RLYPXAAPMHWMRJ-GCQYFTOKSA-N 2 0 296.415 -0.328 20 0 CBADRP NC1(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC[NH2+]CC1 ZINC001161413773 815751159 /nfs/dbraw/zinc/75/11/59/815751159.db2.gz REZGVCZJQDNNKD-GMTAPVOTSA-N 2 0 252.362 -0.737 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412005 815751262 /nfs/dbraw/zinc/75/12/62/815751262.db2.gz FBQRQOSPDRNFOS-GARJFASQSA-N 2 0 267.377 -0.165 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CCN4)C[C@@H]12 ZINC001161413352 815751499 /nfs/dbraw/zinc/75/14/99/815751499.db2.gz PJCPUGJKSURKSW-SKENRDBWSA-N 2 0 264.373 -0.866 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412041 815751636 /nfs/dbraw/zinc/75/16/36/815751636.db2.gz FKLXWOSKLZKZHL-HKWIRBFKSA-N 2 0 263.345 -0.525 20 0 CBADRP [NH3+][C@@H](C(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1)C1CC[NH2+]CC1 ZINC001161411859 815751694 /nfs/dbraw/zinc/75/16/94/815751694.db2.gz BPIIGZQDTZEXJL-YVECIDJPSA-N 3 0 266.389 -0.491 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CNC3CC[NH2+]CC3)C[C@H]12 ZINC001161413843 815751706 /nfs/dbraw/zinc/75/17/06/815751706.db2.gz RKMHQPXEGSAFCY-KGYLQXTDSA-N 2 0 266.389 -0.476 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161412337 815751939 /nfs/dbraw/zinc/75/19/39/815751939.db2.gz JOAWGSLRKQTUDX-XUXIUFHCSA-N 2 0 296.415 -0.184 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161413037 815752113 /nfs/dbraw/zinc/75/21/13/815752113.db2.gz NRBIOUBTNXPCLO-USZNOCQGSA-N 2 0 280.372 -0.868 20 0 CBADRP N=c1ncc(C[NH3+])cn1-c1cncc(N2CC[NH2+]CC2)n1 ZINC001161415140 815752650 /nfs/dbraw/zinc/75/26/50/815752650.db2.gz CNJVXUSLNJIBIN-UHFFFAOYSA-N 2 0 286.343 -0.990 20 0 CBADRP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)N1CC[NH2+]C1 ZINC001161416053 815752841 /nfs/dbraw/zinc/75/28/41/815752841.db2.gz DJYDKQHZPOGEGH-CYBMUJFWSA-N 2 0 286.335 -0.061 20 0 CBADRP N=c1ncc(C[NH3+])cn1-c1ccc(N2CC[NH2+]CC2)nn1 ZINC001161414823 815753396 /nfs/dbraw/zinc/75/33/96/815753396.db2.gz HAWDAOLZSOGJSY-UHFFFAOYSA-N 2 0 286.343 -0.990 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161421685 815753804 /nfs/dbraw/zinc/75/38/04/815753804.db2.gz UBUJIGYXBRTDEF-STQMWFEESA-N 3 0 268.405 -0.038 20 0 CBADRP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)N1CC[NH2+]C1 ZINC001161418721 815754069 /nfs/dbraw/zinc/75/40/69/815754069.db2.gz NAYSCLBYRSRJDP-NSHDSACASA-N 2 0 259.313 -0.178 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161421308 815754449 /nfs/dbraw/zinc/75/44/49/815754449.db2.gz QMCQETWDHPCAOV-RYUDHWBXSA-N 3 0 254.378 -0.380 20 0 CBADRP O=C([C@@H]1CO[C@]2(C1)CCC[NH2+]CC2)N1CC[NH2+]C1 ZINC001161416927 815754569 /nfs/dbraw/zinc/75/45/69/815754569.db2.gz NCBZCLTWVUAMKU-WCQYABFASA-N 2 0 253.346 -0.076 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC(=O)NC2(CCCC2)C1 ZINC001161417502 815754706 /nfs/dbraw/zinc/75/47/06/815754706.db2.gz VHDFRZNLUDPUFE-LBPRGKRZSA-N 2 0 296.415 -0.025 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161444726 815755678 /nfs/dbraw/zinc/75/56/78/815755678.db2.gz KQPKGXYQCZHMHI-RYUDHWBXSA-N 3 0 256.394 -0.277 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[N@@H+]2CC[C@H]2C1)C1CC[NH2+]CC1 ZINC001161424147 815755858 /nfs/dbraw/zinc/75/58/58/815755858.db2.gz ZQXMKGRRDNCSEX-RYUDHWBXSA-N 3 0 252.362 -0.770 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161443320 815755915 /nfs/dbraw/zinc/75/59/15/815755915.db2.gz PZDLAFLEBWMEEF-STQMWFEESA-N 4 0 285.436 -0.805 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161444293 815756011 /nfs/dbraw/zinc/75/60/11/815756011.db2.gz FZKAGTMVKGTZEV-KBPBESRZSA-N 4 0 299.463 -0.415 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161449903 815756148 /nfs/dbraw/zinc/75/61/48/815756148.db2.gz VCNRSHKMEDCPPA-ZIAGYGMSSA-N 3 0 297.447 -0.968 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@H]1COCN1)[C@@H]1CCC[NH2+]C1 ZINC001161443573 815756256 /nfs/dbraw/zinc/75/62/56/815756256.db2.gz YKRKRCZCGCLAKK-NEPJUHHUSA-N 2 0 270.377 -0.926 20 0 CBADRP C[NH+](C)CCN(C(=O)CN1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001161444120 815756310 /nfs/dbraw/zinc/75/63/10/815756310.db2.gz CCYJFHBPYYGQGV-CQSZACIVSA-N 3 0 297.447 -0.966 20 0 CBADRP C[C@@]1(C[NH3+])CCCN(C(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC001161487170 815759990 /nfs/dbraw/zinc/75/99/90/815759990.db2.gz DTYIBHDICGLSQC-YPMHNXCESA-N 2 0 255.362 -0.048 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CCC[C@](C)(C[NH3+])C1 ZINC001161488449 815760137 /nfs/dbraw/zinc/76/01/37/815760137.db2.gz CJVJGYVYLKZECB-CMPLNLGQSA-N 2 0 257.334 -0.536 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CCC[C@@](C)(C[NH3+])C1 ZINC001161489368 815760585 /nfs/dbraw/zinc/76/05/85/815760585.db2.gz LXHYJGYAQVTQFQ-JSGCOSHPSA-N 2 0 279.388 -0.123 20 0 CBADRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161488298 815760598 /nfs/dbraw/zinc/76/05/98/815760598.db2.gz CJLCFQODKUMKRO-AAEUAGOBSA-N 3 0 266.389 -0.617 20 0 CBADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001161488954 815760644 /nfs/dbraw/zinc/76/06/44/815760644.db2.gz ITYCBTAJFHFYMJ-CIQGVGRVSA-N 2 0 266.389 -0.476 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@H]([NH3+])[C@@H](C)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001161491514 815761326 /nfs/dbraw/zinc/76/13/26/815761326.db2.gz FECUIXULUJXXJF-LMLFDSFASA-N 2 0 273.377 -0.298 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001161491597 815761583 /nfs/dbraw/zinc/76/15/83/815761583.db2.gz GAMSFBURCQNWHP-AXFHLTTASA-N 2 0 269.345 -0.883 20 0 CBADRP COc1cccc(C[C@H]([NH3+])C(=O)N2C[C@@H](OC)[C@@H]([NH3+])C2)c1 ZINC001161493305 815761765 /nfs/dbraw/zinc/76/17/65/815761765.db2.gz KFPHNYGTILSLGV-MELADBBJSA-N 2 0 293.367 -0.251 20 0 CBADRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161489491 815761807 /nfs/dbraw/zinc/76/18/07/815761807.db2.gz UAIWLLARHKGPCO-ZFWWWQNUSA-N 3 0 297.447 -0.676 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@H]2CO[C@@]3(C2)CCC[NH2+]CC3)C[C@@H]1[NH3+] ZINC001161491930 815761867 /nfs/dbraw/zinc/76/18/67/815761867.db2.gz JZPCCXAVMXTWHZ-COMQUAJESA-N 2 0 297.399 -0.280 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCC(O)CC2)C[C@@H]1[NH3+] ZINC001161493087 815762018 /nfs/dbraw/zinc/76/20/18/815762018.db2.gz BTZANQAJVZAAEH-KYKAPZLASA-N 2 0 271.361 -0.951 20 0 CBADRP CCCC[C@H]([NH2+]C)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161498423 815762420 /nfs/dbraw/zinc/76/24/20/815762420.db2.gz AHJFMCZXZSZFSG-WDEREUQCSA-N 2 0 255.362 -0.049 20 0 CBADRP C[N@H+](C1CN(C(=O)[C@H]2CC[NH2+]C[C@H]2F)C1)[C@H]1CCOC1 ZINC001161498614 815763184 /nfs/dbraw/zinc/76/31/84/815763184.db2.gz GMQSSKDQHSJJOM-WCFLWFBJSA-N 2 0 285.363 -0.135 20 0 CBADRP C[N@H+](C1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1)[C@H]1CCOC1 ZINC001161500370 815763584 /nfs/dbraw/zinc/76/35/84/815763584.db2.gz WFIDJCUPZLRGSF-FTYKPCCVSA-N 2 0 265.357 -0.617 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161509871 815764381 /nfs/dbraw/zinc/76/43/81/815764381.db2.gz LZSAPSRVCWLPOX-UWVGGRQHSA-N 2 0 271.361 -0.685 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C2CC3(C[NH2+]C3)C2)CC12COC2 ZINC001161507801 815764422 /nfs/dbraw/zinc/76/44/22/815764422.db2.gz BDTKRCORYWUIMR-SNVBAGLBSA-N 2 0 251.330 -0.828 20 0 CBADRP CC(C)C[C@@](C)([NH3+])C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161507778 815765087 /nfs/dbraw/zinc/76/50/87/815765087.db2.gz ASTXFBRTNXVGGB-CMPLNLGQSA-N 2 0 255.362 -0.064 20 0 CBADRP CO[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)[C@H](C)C1 ZINC001161534543 815767633 /nfs/dbraw/zinc/76/76/33/815767633.db2.gz NTHRUNCUZPRNBN-IJLUTSLNSA-N 2 0 267.373 -0.179 20 0 CBADRP CC(=O)[C@@H]1CCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161527265 815768319 /nfs/dbraw/zinc/76/83/19/815768319.db2.gz XTHNQFLICQVPAJ-MBNYWOFBSA-N 2 0 265.357 -0.235 20 0 CBADRP NC(=O)C1CC[NH+](CCC(=O)N2CC[NH2+]C3(CC3)C2)CC1 ZINC001161547910 815769434 /nfs/dbraw/zinc/76/94/34/815769434.db2.gz OCPASYPCKIFNEW-UHFFFAOYSA-N 2 0 294.399 -0.462 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)N1CC[NH2+]C2(CC2)C1 ZINC001161545509 815769454 /nfs/dbraw/zinc/76/94/54/815769454.db2.gz VRXSZJYLVCGRQG-UHFFFAOYSA-N 2 0 252.362 -0.708 20 0 CBADRP C[NH2+][C@@H]1CCCN(CC(=O)N2CC[NH2+]C3(CC3)C2)C1 ZINC001161550123 815769839 /nfs/dbraw/zinc/76/98/39/815769839.db2.gz FCGVLQLQUDLQTE-GFCCVEGCSA-N 2 0 266.389 -0.365 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161545751 815769857 /nfs/dbraw/zinc/76/98/57/815769857.db2.gz ZERIKXASFMTMMI-VIFPVBQESA-N 2 0 255.318 -0.769 20 0 CBADRP COCCOC1CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161572587 815772840 /nfs/dbraw/zinc/77/28/40/815772840.db2.gz UWRSUIMSWVHFAQ-NSHDSACASA-N 2 0 273.377 -0.293 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001161649395 815776170 /nfs/dbraw/zinc/77/61/70/815776170.db2.gz GAHIDZCZTMHZTF-GFCCVEGCSA-N 2 0 284.404 -0.312 20 0 CBADRP [NH3+]C1CCN(c2cccc(NC(CO)CO)[nH+]2)CC1 ZINC001161747294 815782465 /nfs/dbraw/zinc/78/24/65/815782465.db2.gz FXLOEXZQHIRVAW-UHFFFAOYSA-N 2 0 266.345 -0.226 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161789473 815786644 /nfs/dbraw/zinc/78/66/44/815786644.db2.gz PIBPGTWGIZHVQS-UHFFFAOYSA-N 2 0 282.388 -0.543 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161795613 815787783 /nfs/dbraw/zinc/78/77/83/815787783.db2.gz MEIYMXZFNATXNE-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP CCOC(=O)c1c(C[NH3+])ncn1-c1cnc(C[NH3+])nc1 ZINC001162536978 815834084 /nfs/dbraw/zinc/83/40/84/815834084.db2.gz CLEZSSVNJRPHJJ-UHFFFAOYSA-N 2 0 276.300 -0.244 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1)C(N)=O ZINC001162618019 815837491 /nfs/dbraw/zinc/83/74/91/815837491.db2.gz ZQCWBTAWZBOSTQ-SNVBAGLBSA-N 2 0 289.339 -0.082 20 0 CBADRP [NH3+][C@H]1COC[C@H]1Nc1ccc2c(n1)OCC[NH2+]C2 ZINC001162916646 815846707 /nfs/dbraw/zinc/84/67/07/815846707.db2.gz BPGISDCYSQVMAM-VHSXEESVSA-N 2 0 250.302 -0.298 20 0 CBADRP COc1c(N[C@@H]2COC[C@@H]2[NH3+])ncnc1C1C[NH2+]C1 ZINC001162920793 815848518 /nfs/dbraw/zinc/84/85/18/815848518.db2.gz DAPOQHUCBPCEEQ-DTWKUNHWSA-N 2 0 265.317 -0.690 20 0 CBADRP c1cc(C2C[NH2+]C2)nc(N[C@H]2COCCC23C[NH2+]C3)n1 ZINC001163072539 815857535 /nfs/dbraw/zinc/85/75/35/815857535.db2.gz FURLJDULCPVVQN-LBPRGKRZSA-N 2 0 275.356 -0.046 20 0 CBADRP c1nc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)nc2c1CC[NH2+]C2 ZINC001163094813 815857881 /nfs/dbraw/zinc/85/78/81/815857881.db2.gz SFINSIRBEHCAQR-NQBHXWOUSA-N 2 0 275.356 -0.231 20 0 CBADRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc(C(N)=O)nn1 ZINC001163123219 815860078 /nfs/dbraw/zinc/86/00/78/815860078.db2.gz ZIYCZBAAYZUYDU-UHFFFAOYSA-N 2 0 279.348 -0.146 20 0 CBADRP c1cnc(OC2C[NH2+]C2)c(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c1 ZINC001163147428 815862127 /nfs/dbraw/zinc/86/21/27/815862127.db2.gz UNBUGJFVWTXKLI-RAIGVLPGSA-N 2 0 276.340 -0.169 20 0 CBADRP c1cc(N2CC[NH2+]CC2)nc(NC[C@@]23C[NH2+][C@@H](CO2)C3)n1 ZINC001163191983 815863673 /nfs/dbraw/zinc/86/36/73/815863673.db2.gz WZURHKGNPXERGR-BXUZGUMPSA-N 2 0 290.371 -0.571 20 0 CBADRP c1nc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)nc2c1CC[NH2+]C2 ZINC001163337174 815878955 /nfs/dbraw/zinc/87/89/55/815878955.db2.gz XYAIKVYEABRJMU-USWWRNFRSA-N 2 0 261.329 -0.337 20 0 CBADRP CN(CC[NH+](C)C)c1cncc(N2CC[NH2+]CC2)n1 ZINC001163589716 815890965 /nfs/dbraw/zinc/89/09/65/815890965.db2.gz DMUOGISRGGFTTG-UHFFFAOYSA-N 2 0 264.377 -0.116 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001293334848 816516218 /nfs/dbraw/zinc/51/62/18/816516218.db2.gz ZMPHPCAYWMVTSD-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+]1CC[C@@H](C(=O)NCCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001293334550 816516623 /nfs/dbraw/zinc/51/66/23/816516623.db2.gz WGTDFBAFJWMEMY-BETUJISGSA-N 2 0 296.415 -0.488 20 0 CBADRP CC[C@@H](C(=O)NCCCNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001293333226 816516738 /nfs/dbraw/zinc/51/67/38/816516738.db2.gz KZAURRNKPLJCSU-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001304083880 816778843 /nfs/dbraw/zinc/77/88/43/816778843.db2.gz KRKXHNFCHDXDAU-NSHDSACASA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@@H](Nc1nc(N)[nH+]c(N)n1)[C@H]1C[N@H+](C)CCN1C ZINC001307214917 816799191 /nfs/dbraw/zinc/79/91/91/816799191.db2.gz YLMVGNGESLLVHX-HTQZYQBOSA-N 2 0 266.353 -0.918 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+]CCCO)C1 ZINC001316625942 816872160 /nfs/dbraw/zinc/87/21/60/816872160.db2.gz XFRBYFMHOGURAJ-BETUJISGSA-N 2 0 269.389 -0.051 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCOCCO)C1 ZINC001316939779 816904249 /nfs/dbraw/zinc/90/42/49/816904249.db2.gz ARXSKVTWVQCJMO-KBPBESRZSA-N 2 0 299.415 -0.330 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001316992633 816917437 /nfs/dbraw/zinc/91/74/37/816917437.db2.gz GNXVSCZNPHWWSO-CYBMUJFWSA-N 2 0 285.388 -0.718 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001317058488 816925944 /nfs/dbraw/zinc/92/59/44/816925944.db2.gz DCMZOGHUHWXGFU-KBPBESRZSA-N 2 0 299.415 -0.330 20 0 CBADRP CN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001317598935 817026068 /nfs/dbraw/zinc/02/60/68/817026068.db2.gz MQGHKQQMRRKTDN-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP CN(C)C(=O)C[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001317605911 817027499 /nfs/dbraw/zinc/02/74/99/817027499.db2.gz SHNUOWAQGBGQJP-UHFFFAOYSA-N 2 0 296.415 -0.249 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317662611 817042027 /nfs/dbraw/zinc/04/20/27/817042027.db2.gz ZGNCIJQWXBROTJ-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001317666378 817042483 /nfs/dbraw/zinc/04/24/83/817042483.db2.gz WRIJOTUBWCLEKH-ZDUSSCGKSA-N 2 0 284.404 -0.360 20 0 CBADRP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001317666374 817042733 /nfs/dbraw/zinc/04/27/33/817042733.db2.gz WRIJOTUBWCLEKH-CYBMUJFWSA-N 2 0 284.404 -0.360 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001317660426 817042920 /nfs/dbraw/zinc/04/29/20/817042920.db2.gz CTIFVCPSRLLQPL-ZDUSSCGKSA-N 2 0 298.431 -0.242 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001317662223 817043154 /nfs/dbraw/zinc/04/31/54/817043154.db2.gz WPMKJIMGIATHAE-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CN(CC[NH2+]CCn1cccn1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317661077 817043174 /nfs/dbraw/zinc/04/31/74/817043174.db2.gz HRKGHMSQVKOHRO-CYBMUJFWSA-N 2 0 279.388 -0.117 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC2C[NH+](CCCO)C2)CC1 ZINC001318148530 817080428 /nfs/dbraw/zinc/08/04/28/817080428.db2.gz KBRPLDDNRXIJGM-UHFFFAOYSA-N 2 0 269.389 -0.241 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCO)CC[N@@H+]1C ZINC001319069578 817163561 /nfs/dbraw/zinc/16/35/61/817163561.db2.gz AMTSMHYQHUMOCD-JHJVBQTASA-N 2 0 269.389 -0.101 20 0 CBADRP CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001320218731 817296408 /nfs/dbraw/zinc/29/64/08/817296408.db2.gz UKTGAGZDHHZJLA-VXGBXAGGSA-N 2 0 257.378 -0.054 20 0 CBADRP CC(C)[NH2+]C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001320233708 817300398 /nfs/dbraw/zinc/30/03/98/817300398.db2.gz IHAPQAZBAKYOFN-LLVKDONJSA-N 2 0 257.378 -0.054 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]C/C=C/Cl ZINC001320270018 817309320 /nfs/dbraw/zinc/30/93/20/817309320.db2.gz GPCASVWWGAREMP-GFAPAMAISA-N 2 0 263.769 -0.243 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]C/C=C\Cl ZINC001320270017 817310273 /nfs/dbraw/zinc/31/02/73/817310273.db2.gz GPCASVWWGAREMP-ATPLWMGHSA-N 2 0 263.769 -0.243 20 0 CBADRP C[NH+]1CCC(CC(=O)NC[C@H](O)C[NH2+]CCF)CC1 ZINC001320284175 817314904 /nfs/dbraw/zinc/31/49/04/817314904.db2.gz TXEBBNSCUZTOTM-GFCCVEGCSA-N 2 0 275.368 -0.246 20 0 CBADRP CC(C)[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001320294724 817317183 /nfs/dbraw/zinc/31/71/83/817317183.db2.gz DTYOZMXJMBKZSO-LLVKDONJSA-N 2 0 255.362 -0.443 20 0 CBADRP CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001320311444 817320158 /nfs/dbraw/zinc/32/01/58/817320158.db2.gz CEHGFLOAYSOSCN-QWHCGFSZSA-N 2 0 287.404 -0.569 20 0 CBADRP CC[NH2+]C[C@@H](O)CNC(=O)CCC[NH+]1CCCC1 ZINC001320318548 817322679 /nfs/dbraw/zinc/32/26/79/817322679.db2.gz WQZFNJXTOOSPNC-GFCCVEGCSA-N 2 0 257.378 -0.051 20 0 CBADRP C[C@@H](CC[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)CC[NH+](C)C ZINC001320542836 817352721 /nfs/dbraw/zinc/35/27/21/817352721.db2.gz LPWKNUBIEGMOBK-QWRGUYRKSA-N 2 0 298.387 -0.772 20 0 CBADRP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001320550979 817353402 /nfs/dbraw/zinc/35/34/02/817353402.db2.gz YREVUFCEYBBIRA-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001320609906 817362591 /nfs/dbraw/zinc/36/25/91/817362591.db2.gz YJXFECYEAALQGB-WDEREUQCSA-N 2 0 297.407 -0.465 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)CC[NH+](C)C ZINC001321220714 817464383 /nfs/dbraw/zinc/46/43/83/817464383.db2.gz CCJFXVZYMXOVFB-QRGHLMKCSA-N 2 0 270.377 -0.665 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]CC(=O)N(C)C)C1 ZINC001321251099 817468357 /nfs/dbraw/zinc/46/83/57/817468357.db2.gz QPNFNXRKWQTELG-MUBLQREKSA-N 2 0 296.415 -0.322 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001321248311 817468810 /nfs/dbraw/zinc/46/88/10/817468810.db2.gz AUVNNCMFEVTWFW-WWKJKZQJSA-N 2 0 296.415 -0.275 20 0 CBADRP CC[C@H](C(=O)NC/C=C/C[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001321337573 817483820 /nfs/dbraw/zinc/48/38/20/817483820.db2.gz PCYYEKQHXHTLAG-AMRKSYTLSA-N 2 0 296.415 -0.181 20 0 CBADRP COCC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001321393693 817493823 /nfs/dbraw/zinc/49/38/23/817493823.db2.gz UJTJGDCEFMKREE-PCAWENJQSA-N 2 0 255.362 -0.154 20 0 CBADRP CC(C)(C)[C@H]([NH3+])CC(=O)NCCOCCOCC[NH3+] ZINC001220519448 825052969 /nfs/dbraw/zinc/05/29/69/825052969.db2.gz ONSATWMWZLUCMW-LLVKDONJSA-N 2 0 275.393 -0.142 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCCN1CCC(F)(F)C1 ZINC001220807198 825103883 /nfs/dbraw/zinc/10/38/83/825103883.db2.gz CXDJELURSNIKCQ-SECBINFHSA-N 2 0 264.320 -0.490 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@H](O)C[NH2+]CCF)[NH+](C)C ZINC001268320743 827297709 /nfs/dbraw/zinc/29/77/09/827297709.db2.gz BOHVCUIYKHLMEX-WDEREUQCSA-N 2 0 263.357 -0.391 20 0 CBADRP [NH3+]CCN(CCO)c1ccc(O[C@@H]2CCC[NH2+]C2)nn1 ZINC001163829993 819855977 /nfs/dbraw/zinc/85/59/77/819855977.db2.gz NNIWHKFQBAGUNX-LLVKDONJSA-N 2 0 281.360 -0.635 20 0 CBADRP [NH3+]CCN(CCO)c1ncc(F)c(C2CC[NH2+]CC2)n1 ZINC001163829781 819856070 /nfs/dbraw/zinc/85/60/70/819856070.db2.gz CJPLZNRSWGOWQR-UHFFFAOYSA-N 2 0 283.351 -0.160 20 0 CBADRP C[NH+](C)C1CN(c2ccc(N3CC[NH+](C)CC3)nn2)C1 ZINC001163932710 819868802 /nfs/dbraw/zinc/86/88/02/819868802.db2.gz SKSOELMAIQTLLS-UHFFFAOYSA-N 2 0 276.388 -0.021 20 0 CBADRP Cc1cc(C[NH3+])nn1-c1nccnc1N1CC[NH2+]CC1 ZINC001163978376 819877253 /nfs/dbraw/zinc/87/72/53/819877253.db2.gz ZLNSCUJLKHAAAL-UHFFFAOYSA-N 2 0 273.344 -0.161 20 0 CBADRP CN(c1ccc2c(n1)C[NH2+]CC2)S(=O)(=O)CC[NH3+] ZINC001164287163 819900323 /nfs/dbraw/zinc/90/03/23/819900323.db2.gz JXTCVHBFKODFJC-UHFFFAOYSA-N 2 0 270.358 -0.548 20 0 CBADRP CN(c1cnc2c(c1)C[NH2+]CC2)S(=O)(=O)CC[NH3+] ZINC001164296713 819903769 /nfs/dbraw/zinc/90/37/69/819903769.db2.gz MIIOCRLOXYVJKT-UHFFFAOYSA-N 2 0 270.358 -0.548 20 0 CBADRP c1nc2c(n1-c1cncc(N3CC[NH2+]CC3)n1)C[NH2+]CC2 ZINC001164313306 819908001 /nfs/dbraw/zinc/90/80/01/819908001.db2.gz FJMBGQMJFQVANA-UHFFFAOYSA-N 2 0 285.355 -0.282 20 0 CBADRP C[C@@H]1CN(c2ccc(NOCC[NH3+])nn2)CC[NH2+]1 ZINC001164415444 819910982 /nfs/dbraw/zinc/91/09/82/819910982.db2.gz VVVCCQUJITWBQS-SECBINFHSA-N 2 0 252.322 -0.423 20 0 CBADRP C[NH+]1CCN(c2cc(=NOCC[NH3+])nc[nH]2)CC1 ZINC001164414833 819911338 /nfs/dbraw/zinc/91/13/38/819911338.db2.gz MSNBPFABFQVFOX-UHFFFAOYSA-N 2 0 252.322 -0.469 20 0 CBADRP [NH3+]CCONc1ccc(O[C@H]2CCC[NH2+]C2)nn1 ZINC001164415198 819912432 /nfs/dbraw/zinc/91/24/32/819912432.db2.gz QNXXPMRVESWMKW-VIFPVBQESA-N 2 0 253.306 -0.090 20 0 CBADRP CC(C)[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@@H](C)O)C1 ZINC001164538297 819922327 /nfs/dbraw/zinc/92/23/27/819922327.db2.gz CPCPQQGCMKGDHM-CHWSQXEVSA-N 2 0 287.404 -0.428 20 0 CBADRP C[NH+]1CCN(c2ccc(N3C[C@@H]([NH3+])[C@@H](F)C3)nn2)CC1 ZINC001165120607 819940034 /nfs/dbraw/zinc/94/00/34/819940034.db2.gz QEKCEJGUHDSEPO-WDEREUQCSA-N 2 0 280.351 -0.286 20 0 CBADRP O=C1CN(c2ncc3c(n2)C[NH2+]C3)CC2(CC[NH2+]CC2)N1 ZINC001165256465 819944179 /nfs/dbraw/zinc/94/41/79/819944179.db2.gz ZPHGJAWCLDPPOW-UHFFFAOYSA-N 2 0 288.355 -0.862 20 0 CBADRP Cn1ncnc1C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165254673 819944977 /nfs/dbraw/zinc/94/49/77/819944977.db2.gz SSRNUZQWVKHFRM-UHFFFAOYSA-N 2 0 294.403 -0.247 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)c1occc1C[NH+](C)C)C(N)=O ZINC001165246016 819945014 /nfs/dbraw/zinc/94/50/14/819945014.db2.gz KNGDRQIDYWIBHP-SNVBAGLBSA-N 2 0 296.371 -0.076 20 0 CBADRP OC[C@@]12C[NH2+]C[C@@H]1CN(c1ncnc3c1CC[NH2+]CC3)C2 ZINC001165282220 819946153 /nfs/dbraw/zinc/94/61/53/819946153.db2.gz UXDXHMRRAPOOLY-ABAIWWIYSA-N 2 0 289.383 -0.817 20 0 CBADRP OC[C@@]12C[NH2+]C[C@@H]1CN(c1ncnc3c1CC[NH2+]C3)C2 ZINC001165283947 819948330 /nfs/dbraw/zinc/94/83/30/819948330.db2.gz QVLWDDHMGWNGOH-YGRLFVJLSA-N 2 0 275.356 -0.860 20 0 CBADRP Cc1nc(N2CCNC(=O)C23C[NH2+]C3)cc(N(C)C)[nH+]1 ZINC001165297819 819950936 /nfs/dbraw/zinc/95/09/36/819950936.db2.gz LZRCQRSXQFRNMI-UHFFFAOYSA-N 2 0 276.344 -0.871 20 0 CBADRP O=C1NCCN(c2cc(N3CCCC3)cc[nH+]2)C12C[NH2+]C2 ZINC001165301690 819955282 /nfs/dbraw/zinc/95/52/82/819955282.db2.gz AHIHJZSPZFPHEU-UHFFFAOYSA-N 2 0 287.367 -0.040 20 0 CBADRP [NH3+][C@@]12C[C@@H]1CCN(c1ccc(N3CC[NH2+]CC3)nn1)C2 ZINC001165327688 819956266 /nfs/dbraw/zinc/95/62/66/819956266.db2.gz MUWNYFLPNKZHBB-SMDDNHRTSA-N 2 0 274.372 -0.186 20 0 CBADRP C[NH+](C)CCCC(=O)NCCC[NH2+]CCn1cncn1 ZINC001165359980 819957258 /nfs/dbraw/zinc/95/72/58/819957258.db2.gz JOAAAXWKLWKNQU-UHFFFAOYSA-N 2 0 282.392 -0.284 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)CCC[NH+](C)C)C(N)=O ZINC001165360050 819957300 /nfs/dbraw/zinc/95/73/00/819957300.db2.gz LBBMXCSIESEXFV-SNVBAGLBSA-N 2 0 258.366 -0.702 20 0 CBADRP [NH3+][C@H]1[C@H]2CN(c3ccc(N4CC[NH2+]CC4)cn3)C[C@@H]12 ZINC001165381996 819958951 /nfs/dbraw/zinc/95/89/51/819958951.db2.gz IDRSZVXVPYLZGV-DABQJJPHSA-N 2 0 259.357 -0.116 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCN1c1ncc2c(n1)CC[NH2+]C2 ZINC001165437285 819961964 /nfs/dbraw/zinc/96/19/64/819961964.db2.gz QKXMQRFAORFRRL-LLVKDONJSA-N 2 0 277.328 -0.927 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1c1ncc(C)c(C2C[NH2+]C2)n1 ZINC001165443360 819966119 /nfs/dbraw/zinc/96/61/19/819966119.db2.gz TWRQYWQYCGSYQW-NSHDSACASA-N 2 0 291.355 -0.577 20 0 CBADRP C[NH+]1CCC(C(=O)NCCC[NH2+][C@H]2CCCNC2=O)CC1 ZINC001165776604 819982224 /nfs/dbraw/zinc/98/22/24/819982224.db2.gz LJTGCVANPHFKIO-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001165776895 819982441 /nfs/dbraw/zinc/98/24/41/819982441.db2.gz NIIBEYRLOAWIQX-GFCCVEGCSA-N 2 0 284.404 -0.312 20 0 CBADRP CN1CC[C@H]([NH2+]CCCNC(=O)CC[NH+](C)C)C1=O ZINC001165781294 819983673 /nfs/dbraw/zinc/98/36/73/819983673.db2.gz OGGMRLRDSWEUBR-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP Cc1nonc1C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165794274 819984153 /nfs/dbraw/zinc/98/41/53/819984153.db2.gz PUKWYHQHJXSVNO-UHFFFAOYSA-N 2 0 269.349 -0.074 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[NH2+]Cc1nnnn1C1CC1 ZINC001165794594 819984169 /nfs/dbraw/zinc/98/41/69/819984169.db2.gz XLNQKFGXTBJOFH-UHFFFAOYSA-N 2 0 295.391 -0.444 20 0 CBADRP C[C@H]1CN(c2ccc(-n3ccnc3CC[NH3+])nn2)CC[NH2+]1 ZINC001166277914 819996612 /nfs/dbraw/zinc/99/66/12/819996612.db2.gz VDLNNRVLQIOSLJ-NSHDSACASA-N 2 0 287.371 -0.038 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+]CC(N)=O)[NH+](CC)CC ZINC001166440352 819999359 /nfs/dbraw/zinc/99/93/59/819999359.db2.gz WCANASXEHDGEJB-LLVKDONJSA-N 2 0 272.393 -0.312 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C)C(N)=O ZINC001166626639 820008819 /nfs/dbraw/zinc/00/88/19/820008819.db2.gz IIHLMDGGQTZEEQ-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166627633 820009516 /nfs/dbraw/zinc/00/95/16/820009516.db2.gz XXQVGEVQOIZEBW-CHWSQXEVSA-N 2 0 287.404 -0.426 20 0 CBADRP C[C@@H](O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166626607 820010699 /nfs/dbraw/zinc/01/06/99/820010699.db2.gz HRTSWBGPILZDMA-NWDGAFQWSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@@H](O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166626609 820010769 /nfs/dbraw/zinc/01/07/69/820010769.db2.gz HRTSWBGPILZDMA-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166667401 820013396 /nfs/dbraw/zinc/01/33/96/820013396.db2.gz AKLRTPIFDNPFML-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)NC2CC2)C1 ZINC001166668154 820013527 /nfs/dbraw/zinc/01/35/27/820013527.db2.gz SSMMKBBHWYEOAS-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]Cc2nncn2C)C1 ZINC001166668245 820014368 /nfs/dbraw/zinc/01/43/68/820014368.db2.gz WQXIHNJEDJBMSM-LBPRGKRZSA-N 2 0 294.403 -0.247 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1cnon1 ZINC001166692885 820015945 /nfs/dbraw/zinc/01/59/45/820015945.db2.gz QXXHIEMIHYLVGO-ZYHUDNBSSA-N 2 0 281.360 -0.137 20 0 CBADRP CCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166692821 820016213 /nfs/dbraw/zinc/01/62/13/820016213.db2.gz QEUHINLTEVVJSU-STQMWFEESA-N 2 0 298.431 -0.194 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166694031 820016533 /nfs/dbraw/zinc/01/65/33/820016533.db2.gz UUCZZXJBZVLHPS-QWRGUYRKSA-N 2 0 270.377 -0.974 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCOCCO ZINC001166695110 820017059 /nfs/dbraw/zinc/01/70/59/820017059.db2.gz ZYOYZVAZUVXZLJ-OLZOCXBDSA-N 2 0 287.404 -0.711 20 0 CBADRP Cc1nnc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)[nH]1 ZINC001166692445 820017081 /nfs/dbraw/zinc/01/70/81/820017081.db2.gz PTSNWFMIACDFCT-JQWIXIFHSA-N 2 0 294.403 -0.093 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001166707991 820020009 /nfs/dbraw/zinc/02/00/09/820020009.db2.gz LEOPFPLFISNYAR-STQMWFEESA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C)C(N)=O ZINC001166744293 820034338 /nfs/dbraw/zinc/03/43/38/820034338.db2.gz PAVDCXZNGHJVNQ-LLVKDONJSA-N 2 0 286.420 -0.066 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)NCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001166765295 820034484 /nfs/dbraw/zinc/03/44/84/820034484.db2.gz WPNGRAYZMLMJJR-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001166858003 820041744 /nfs/dbraw/zinc/04/17/44/820041744.db2.gz KCYLYGCKUBYXNG-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001166858410 820042136 /nfs/dbraw/zinc/04/21/36/820042136.db2.gz TWKHBVDJPMYTHW-LBPRGKRZSA-N 2 0 282.392 -0.249 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+]CCNC(=O)C1CC1)[NH+](C)C ZINC001166866721 820042362 /nfs/dbraw/zinc/04/23/62/820042362.db2.gz RRLLAEWBLFRFLK-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)CCC(=O)NCCC1(C[NH2+]CCO)CC1 ZINC001166987809 820061092 /nfs/dbraw/zinc/06/10/92/820061092.db2.gz VWHKPPJXWGCKNL-UHFFFAOYSA-N 2 0 257.378 -0.194 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+]CC(=O)NC)CC1 ZINC001167480595 820092717 /nfs/dbraw/zinc/09/27/17/820092717.db2.gz MPXXDZOUJZPTLU-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP CN(C)C(=O)C[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167655557 820108627 /nfs/dbraw/zinc/10/86/27/820108627.db2.gz UIUJAEQZBNAAFD-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1-c1ccc(OC2C[NH2+]C2)cn1 ZINC001167677465 820108957 /nfs/dbraw/zinc/10/89/57/820108957.db2.gz RAYGBQWYSPIJIQ-UHFFFAOYSA-N 2 0 286.339 -0.136 20 0 CBADRP C[NH2+]Cc1cc(-n2c(C)ncc(C[NH3+])c2=N)ncn1 ZINC001167672467 820108992 /nfs/dbraw/zinc/10/89/92/820108992.db2.gz NQSBAYJNOIJVDS-UHFFFAOYSA-N 2 0 259.317 -0.372 20 0 CBADRP N=c1cc(C[NH3+])ccn1-c1ncnc2c1C[NH2+]CC2 ZINC001167683271 820112145 /nfs/dbraw/zinc/11/21/45/820112145.db2.gz KODWCXBPIMCSCD-UHFFFAOYSA-N 2 0 256.313 -0.149 20 0 CBADRP N=c1cc(C[NH3+])ccn1-c1ncc2c(n1)C[NH2+]CC2 ZINC001167683111 820112252 /nfs/dbraw/zinc/11/22/52/820112252.db2.gz HTRPYOUZGZLWLN-UHFFFAOYSA-N 2 0 256.313 -0.149 20 0 CBADRP C[NH2+]CCNc1ccc(N2CC[NH2+][C@@H](C)C2)nn1 ZINC001167721698 820113473 /nfs/dbraw/zinc/11/34/73/820113473.db2.gz NWPVPLFAWDZPHF-JTQLQIEISA-N 2 0 250.350 -0.094 20 0 CBADRP C[NH2+]CCNc1ccc(N2CC[NH2+][C@H](C)C2)nn1 ZINC001167721700 820113634 /nfs/dbraw/zinc/11/36/34/820113634.db2.gz NWPVPLFAWDZPHF-SNVBAGLBSA-N 2 0 250.350 -0.094 20 0 CBADRP [NH3+]CCc1ccn(-c2cnc(O[C@@H]3CC[NH2+]C3)nc2)n1 ZINC001167730171 820113712 /nfs/dbraw/zinc/11/37/12/820113712.db2.gz DIEXCBUEKXOCQF-GFCCVEGCSA-N 2 0 274.328 -0.096 20 0 CBADRP Cc1nc([C@@H]2CCC[NH2+]C2)cc(-n2nnc(CC[NH3+])n2)n1 ZINC001167791772 820120384 /nfs/dbraw/zinc/12/03/84/820120384.db2.gz UWYIAPXXTMFNGL-SNVBAGLBSA-N 2 0 288.359 -0.271 20 0 CBADRP Cc1nc([C@H]2CCC[NH2+]C2)cc(-n2nnc(CC[NH3+])n2)n1 ZINC001167791771 820120563 /nfs/dbraw/zinc/12/05/63/820120563.db2.gz UWYIAPXXTMFNGL-JTQLQIEISA-N 2 0 288.359 -0.271 20 0 CBADRP C[NH+](C)CCCOc1ccc(-n2nnc(CC[NH3+])n2)cn1 ZINC001167791794 820120981 /nfs/dbraw/zinc/12/09/81/820120981.db2.gz KUICRGNCLGJNSA-UHFFFAOYSA-N 2 0 291.359 -0.111 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])Nc1ncc2c(n1)NC(=O)C2 ZINC001167879916 820125712 /nfs/dbraw/zinc/12/57/12/820125712.db2.gz SQPVUGRIAUXZCA-UHFFFAOYSA-N 2 0 263.305 -0.354 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])Nc1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001167878568 820125881 /nfs/dbraw/zinc/12/58/81/820125881.db2.gz MVHSDGMGJFVDOP-NSHDSACASA-N 3 0 293.375 -0.108 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168023146 820138608 /nfs/dbraw/zinc/13/86/08/820138608.db2.gz UTAOOQKJXILBQD-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CCO1 ZINC001168091644 820144055 /nfs/dbraw/zinc/14/40/55/820144055.db2.gz AUNDNVKTWAODFJ-UWVGGRQHSA-N 2 0 261.326 -0.308 20 0 CBADRP C[C@H]([NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001168139279 820145268 /nfs/dbraw/zinc/14/52/68/820145268.db2.gz ZLFJERQWSXLASQ-RYUDHWBXSA-N 2 0 296.415 -0.312 20 0 CBADRP CNC(=O)C[NH2+]CC1(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001168145925 820146247 /nfs/dbraw/zinc/14/62/47/820146247.db2.gz BFQPMWQPCUFBHM-UHFFFAOYSA-N 2 0 296.415 -0.296 20 0 CBADRP NC(=[NH2+])c1nccn1-c1nccnc1N1CC[NH2+]CC1 ZINC001168410452 820160879 /nfs/dbraw/zinc/16/08/79/820160879.db2.gz ZJNSVZIQMIKQRQ-UHFFFAOYSA-N 2 0 272.316 -0.644 20 0 CBADRP NC(=[NH2+])c1nccn1-c1ccc(N2CC[NH2+]CC2)nc1 ZINC001168416642 820162517 /nfs/dbraw/zinc/16/25/17/820162517.db2.gz ZHGLFCQMKJZLPX-UHFFFAOYSA-N 2 0 271.328 -0.039 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CC(=O)NC ZINC001168747352 820171938 /nfs/dbraw/zinc/17/19/38/820171938.db2.gz IQXALONXFOMXFU-UHFFFAOYSA-N 2 0 258.366 -0.830 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@@H](C)c1nnnn1C ZINC001168754868 820174632 /nfs/dbraw/zinc/17/46/32/820174632.db2.gz CWJZDGIKQPTVHG-NSHDSACASA-N 2 0 297.407 -0.291 20 0 CBADRP [NH3+]Cc1nnnn1-c1ccc(OCC[NH+]2CCCC2)nn1 ZINC001168918450 820189343 /nfs/dbraw/zinc/18/93/43/820189343.db2.gz DHTAEWQNAYRBEO-UHFFFAOYSA-N 2 0 290.331 -0.614 20 0 CBADRP [NH3+]Cc1nnnn1-c1ccc2c([C@H]3CCC[NH2+]3)nnn2c1 ZINC001168920358 820191303 /nfs/dbraw/zinc/19/13/03/820191303.db2.gz OBDJKQXZOIRJOT-SECBINFHSA-N 2 0 285.315 -0.412 20 0 CBADRP [NH3+]Cc1nnnn1-c1ccc2nc([C@@H]3CC[NH2+]C3)nn2c1 ZINC001168923547 820192411 /nfs/dbraw/zinc/19/24/11/820192411.db2.gz LPWLTJMLDOBPBM-MRVPVSSYSA-N 2 0 285.315 -0.759 20 0 CBADRP [NH3+]Cc1nnnn1-c1cccc(N2CC[NH2+]CC2)c1 ZINC001168924632 820194566 /nfs/dbraw/zinc/19/45/66/820194566.db2.gz OTCWEIKVBTWGBO-UHFFFAOYSA-N 2 0 259.317 -0.469 20 0 CBADRP Cc1nc(CC[NH3+])nn1-c1nccc(C2C[NH2+]C2)n1 ZINC001168986546 820198743 /nfs/dbraw/zinc/19/87/43/820198743.db2.gz XJTSUNILMNMYIC-UHFFFAOYSA-N 2 0 259.317 -0.446 20 0 CBADRP Cc1cnc(C[NH3+])n1-c1nccnc1N1CC[NH2+]CC1 ZINC001169021365 820201869 /nfs/dbraw/zinc/20/18/69/820201869.db2.gz CMERNZCHFQLJHD-UHFFFAOYSA-N 2 0 273.344 -0.161 20 0 CBADRP C[N@@H+]1CCc2ncnc(-n3cncc3C[C@@H]([NH3+])CO)c2C1 ZINC001169071889 820204638 /nfs/dbraw/zinc/20/46/38/820204638.db2.gz HBVTZAAWWUNONK-SNVBAGLBSA-N 2 0 288.355 -0.488 20 0 CBADRP [NH3+][C@@H](CO)Cc1cncn1-c1ccc2c(n1)C[NH2+]CC2 ZINC001169072445 820205491 /nfs/dbraw/zinc/20/54/91/820205491.db2.gz SFPVSFQVEICAPD-LLVKDONJSA-N 2 0 273.340 -0.225 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1)C(N)=O ZINC001169126592 820210033 /nfs/dbraw/zinc/21/00/33/820210033.db2.gz ACNGNYSLRDADGZ-GFCCVEGCSA-N 2 0 284.404 -0.312 20 0 CBADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCN2CC[NH+](C)CC2)CO1 ZINC001169312668 820227861 /nfs/dbraw/zinc/22/78/61/820227861.db2.gz DEOJJFSXDNMDOM-ZIAGYGMSSA-N 2 0 299.415 -0.066 20 0 CBADRP C[NH+]1CCN(c2ccc(-n3nncc3C[NH3+])nc2)CC1 ZINC001169311590 820228199 /nfs/dbraw/zinc/22/81/99/820228199.db2.gz LRJOAKQYKOFUHX-UHFFFAOYSA-N 2 0 273.344 -0.127 20 0 CBADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCN(C)CC[NH3+])CO1 ZINC001169349082 820244461 /nfs/dbraw/zinc/24/44/61/820244461.db2.gz NYXSSYHVSSHJNN-VXGBXAGGSA-N 2 0 273.377 -0.423 20 0 CBADRP CC(=O)N1CCC[C@H](NC(=[NH2+])NCCCC[NH3+])C1 ZINC001169577590 820257217 /nfs/dbraw/zinc/25/72/17/820257217.db2.gz RTQAXEFWFZIUDB-NSHDSACASA-N 2 0 255.366 -0.150 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCCN(C(C)=O)C1 ZINC001169596805 820259696 /nfs/dbraw/zinc/25/96/96/820259696.db2.gz KXOIDADHDAXPFQ-STQMWFEESA-N 2 0 284.404 -0.170 20 0 CBADRP CN(CC[NH3+])CC[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC001169866076 820268519 /nfs/dbraw/zinc/26/85/19/820268519.db2.gz VOTZWODKPTZMHJ-UHFFFAOYSA-N 2 0 277.434 -0.178 20 0 CBADRP CN(CC[NH3+])CCNc1ccnc(N2CCC([NH3+])CC2)n1 ZINC001170498796 820296202 /nfs/dbraw/zinc/29/62/02/820296202.db2.gz MQLWCVBQFJGQLN-UHFFFAOYSA-N 2 0 293.419 -0.294 20 0 CBADRP CN(CC[NH3+])CCNc1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001170501992 820296231 /nfs/dbraw/zinc/29/62/31/820296231.db2.gz JBGKEYPIUHPRMQ-LBPRGKRZSA-N 2 0 280.376 -0.480 20 0 CBADRP [NH3+]CCOCCOCC[NH2+]c1ccc2c(=O)[nH]cc-2[nH]1 ZINC001170504931 820297461 /nfs/dbraw/zinc/29/74/61/820297461.db2.gz GMBBAWOQXZLBGG-UHFFFAOYSA-N 2 0 280.328 -0.271 20 0 CBADRP COc1c(N[C@@H](C)[C@@H]2C[NH2+]CCO2)ncnc1C1C[NH2+]C1 ZINC001170566607 820305182 /nfs/dbraw/zinc/30/51/82/820305182.db2.gz AGECDFKYWXJDTM-ONGXEEELSA-N 2 0 293.371 -0.039 20 0 CBADRP C[C@H](Nc1ccnc(N2CC[NH2+]CC2)n1)[C@H]1C[NH2+]CCO1 ZINC001170557940 820305295 /nfs/dbraw/zinc/30/52/95/820305295.db2.gz JEYJQPODCWIEKA-NWDGAFQWSA-N 2 0 292.387 -0.325 20 0 CBADRP C[C@H](Nc1nccc(C2C[NH2+]C2)n1)[C@@H]1C[NH2+]CCO1 ZINC001170574907 820307857 /nfs/dbraw/zinc/30/78/57/820307857.db2.gz XRWGVUHQFWNIMW-CABZTGNLSA-N 2 0 263.345 -0.048 20 0 CBADRP Cc1nc(N[C@H]2C[NH2+]C[C@@H]2CO)cc(N2CCOCC2)[nH+]1 ZINC001170773301 820316986 /nfs/dbraw/zinc/31/69/86/820316986.db2.gz MDLABQSKMYGRTL-NEPJUHHUSA-N 2 0 293.371 -0.386 20 0 CBADRP C[C@@H]1CN(c2ccc(N[C@H]3C[NH2+]C[C@H]3CO)nn2)CC[NH2+]1 ZINC001170773196 820317216 /nfs/dbraw/zinc/31/72/16/820317216.db2.gz FURXBWMEWOPECS-WOPDTQHZSA-N 2 0 292.387 -0.733 20 0 CBADRP COc1c(N[C@@H]2C[NH2+]C[C@@H]2CO)ncnc1C1C[NH2+]C1 ZINC001170778036 820320731 /nfs/dbraw/zinc/32/07/31/820320731.db2.gz KRWPKHADQYIZLL-NXEZZACHSA-N 2 0 279.344 -0.836 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@H]1Nc1cccnc1OC1C[NH2+]C1 ZINC001170780414 820321951 /nfs/dbraw/zinc/32/19/51/820321951.db2.gz GRZJBADWDJQTMF-JOYOIKCWSA-N 2 0 264.329 -0.576 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@H]1Nc1c[nH+]ccc1N1CCOCC1 ZINC001170782297 820324447 /nfs/dbraw/zinc/32/44/47/820324447.db2.gz UTGZFWZDGCDFCF-NWDGAFQWSA-N 2 0 278.356 -0.090 20 0 CBADRP CC[C@]([NH3+])(CO)Nc1ccc(N2CC[NH2+][C@H](C)C2)nn1 ZINC001170856786 820328271 /nfs/dbraw/zinc/32/82/71/820328271.db2.gz AITHLKZYICWVNH-ZWNOBZJWSA-N 2 0 280.376 -0.256 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cnc(C[NH3+])nc1 ZINC001170871239 820330724 /nfs/dbraw/zinc/33/07/24/820330724.db2.gz CHCKDTJUEHOFHG-NXEZZACHSA-N 2 0 265.317 -0.502 20 0 CBADRP CC[C@@]([NH3+])(CO)Nc1cccnc1OC1C[NH2+]C1 ZINC001170866404 820331233 /nfs/dbraw/zinc/33/12/33/820331233.db2.gz RRPUZMXEHIVPIO-LBPRGKRZSA-N 2 0 252.318 -0.099 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1cc2c(cn1)OCC(=O)N2 ZINC001170898111 820332188 /nfs/dbraw/zinc/33/21/88/820332188.db2.gz LGPBNZSFUFGNLQ-SECBINFHSA-N 2 0 251.290 -0.152 20 0 CBADRP COC(=O)c1cc(OC)nc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001170894843 820332277 /nfs/dbraw/zinc/33/22/77/820332277.db2.gz LYWOOSXMNRFELA-QMMMGPOBSA-N 2 0 269.305 -0.293 20 0 CBADRP COC(=O)c1cc(N[C@H]([NH3+])CCC[NH3+])nnc1OC ZINC001170897027 820332752 /nfs/dbraw/zinc/33/27/52/820332752.db2.gz KETAIOGFSQNOFW-QMMMGPOBSA-N 2 0 269.305 -0.293 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1cncc(N2CCOCC2)n1 ZINC001170893977 820332932 /nfs/dbraw/zinc/33/29/32/820332932.db2.gz FFQRIBXKWHOWHC-SNVBAGLBSA-N 2 0 266.349 -0.251 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1nccc2c1OCC(=O)N2 ZINC001170897109 820333330 /nfs/dbraw/zinc/33/33/30/820333330.db2.gz DJDSCBQYHVNGRE-MRVPVSSYSA-N 2 0 251.290 -0.152 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1cncc(N2CCC([NH3+])CC2)n1 ZINC001170899480 820334363 /nfs/dbraw/zinc/33/43/63/820334363.db2.gz ZEHORAMGJGBEIN-NSHDSACASA-N 3 0 279.392 -0.160 20 0 CBADRP COC(=O)Cc1ncc(N[C@@H]([NH3+])CCC[NH3+])cn1 ZINC001170898981 820334465 /nfs/dbraw/zinc/33/44/65/820334465.db2.gz FWQXMUHDPNNVCX-SECBINFHSA-N 2 0 253.306 -0.372 20 0 CBADRP Cc1nc(S(C)(=O)=O)ncc1N[C@H]([NH3+])CCC[NH3+] ZINC001170902935 820335054 /nfs/dbraw/zinc/33/50/54/820335054.db2.gz HVDQNOFMYAQNPI-VIFPVBQESA-N 2 0 273.362 -0.376 20 0 CBADRP NS(=O)(=O)Cc1ccc(N[C@H]([NH3+])CCC[NH3+])nc1 ZINC001170899478 820335826 /nfs/dbraw/zinc/33/58/26/820335826.db2.gz ZDRVUODXPADNET-VIFPVBQESA-N 2 0 273.362 -0.694 20 0 CBADRP Cc1nc(S(C)(=O)=O)ncc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170902934 820336205 /nfs/dbraw/zinc/33/62/05/820336205.db2.gz HVDQNOFMYAQNPI-SECBINFHSA-N 2 0 273.362 -0.376 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001170899159 820336441 /nfs/dbraw/zinc/33/64/41/820336441.db2.gz IAGHUQUTCXMRPR-WDEREUQCSA-N 3 0 266.349 -0.347 20 0 CBADRP COCCC[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171205273 820349787 /nfs/dbraw/zinc/34/97/87/820349787.db2.gz RTKILPVWVZRMEA-UHFFFAOYSA-N 2 0 275.393 -0.303 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171160215 820349938 /nfs/dbraw/zinc/34/99/38/820349938.db2.gz CQCUHABCIUOAAO-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CCCNC(=O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171216401 820350191 /nfs/dbraw/zinc/35/01/91/820350191.db2.gz IAHVYMQIFMAHAW-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP CN1CC[C@H]([NH2+]CCCNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001171227056 820350943 /nfs/dbraw/zinc/35/09/43/820350943.db2.gz MERXTDKAHNRVCA-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171219498 820351646 /nfs/dbraw/zinc/35/16/46/820351646.db2.gz YACLNHPQDHHHEQ-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP Cn1cnnc1C[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171219153 820352288 /nfs/dbraw/zinc/35/22/88/820352288.db2.gz UPTIBOAXAJMXIF-GFCCVEGCSA-N 2 0 294.403 -0.247 20 0 CBADRP [NH3+]Cc1nccnc1Nc1nccnc1N1CC[NH2+]CC1 ZINC001171440584 820361350 /nfs/dbraw/zinc/36/13/50/820361350.db2.gz FRCBMGKVKSLGIL-UHFFFAOYSA-N 2 0 286.343 -0.122 20 0 CBADRP C[NH+](C)CCCCC(=O)NCCC[NH2+]CC(N)=O ZINC001171579265 820362434 /nfs/dbraw/zinc/36/24/34/820362434.db2.gz RZTDPCMEPMGAFY-UHFFFAOYSA-N 2 0 258.366 -0.701 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1ncnn1C ZINC001171756932 820369434 /nfs/dbraw/zinc/36/94/34/820369434.db2.gz BTAMWNJEHVBHKK-UHFFFAOYSA-N 2 0 282.392 -0.247 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]C[C@@H](O)COC ZINC001171725501 820369505 /nfs/dbraw/zinc/36/95/05/820369505.db2.gz NBYNUTZWJDTFNS-CYBMUJFWSA-N 2 0 289.420 -0.179 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@@H](CC)C(N)=O ZINC001171763189 820370056 /nfs/dbraw/zinc/37/00/56/820370056.db2.gz UWCODDQAIUCNNE-NSHDSACASA-N 2 0 272.393 -0.312 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]C[C@@H](O)COC ZINC001171763330 820370356 /nfs/dbraw/zinc/37/03/56/820370356.db2.gz ZDRWSOCOLYPBNL-GFCCVEGCSA-N 2 0 275.393 -0.569 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001171725169 820371283 /nfs/dbraw/zinc/37/12/83/820371283.db2.gz GTAPJOZJWFPALO-UHFFFAOYSA-N 2 0 286.420 -0.098 20 0 CBADRP CCN1CC[C@@H]([NH+]2CCN(CC[NH3+])CC2)CC1=O ZINC001172025022 820377392 /nfs/dbraw/zinc/37/73/92/820377392.db2.gz BUNCNZLGXOFWSW-GFCCVEGCSA-N 2 0 254.378 -0.426 20 0 CBADRP C[NH+]1CCN(CC[NH2+][C@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172152428 820386647 /nfs/dbraw/zinc/38/66/47/820386647.db2.gz FGEJSQNJDLJLPL-UONOGXRCSA-N 2 0 280.416 -0.023 20 0 CBADRP CN(CC[NH3+])CC[NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172163891 820388565 /nfs/dbraw/zinc/38/85/65/820388565.db2.gz KHYFGILDAJYHIH-NEPJUHHUSA-N 2 0 254.378 -0.380 20 0 CBADRP COCCC[NH+]1CCC([NH2+]CC2(O)COC2)CC1 ZINC001172245578 820392630 /nfs/dbraw/zinc/39/26/30/820392630.db2.gz WZIXKCMQHSGIDU-UHFFFAOYSA-N 2 0 258.362 -0.162 20 0 CBADRP COCCC[NH+]1CCC(N(CC[NH3+])S(C)(=O)=O)CC1 ZINC001172243399 820393936 /nfs/dbraw/zinc/39/39/36/820393936.db2.gz JDAAECCGTSADRD-UHFFFAOYSA-N 2 0 293.433 -0.292 20 0 CBADRP CCOCC[C@H](C)[NH2+]CCN(CC[NH3+])N(O)N=O ZINC001172414228 820394125 /nfs/dbraw/zinc/39/41/25/820394125.db2.gz FTWNLCZTMRVCGE-JTQLQIEISA-N 2 0 263.342 -0.061 20 0 CBADRP CC[NH+](CC)C1CCC([NH2+][C@@H](CC(N)=O)C(N)=O)CC1 ZINC001173110416 820400256 /nfs/dbraw/zinc/40/02/56/820400256.db2.gz NZWYXCBGLJZNQH-MCIGGMRASA-N 2 0 284.404 -0.042 20 0 CBADRP [NH3+]CCN1CC[NH+]([C@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173734648 820408458 /nfs/dbraw/zinc/40/84/58/820408458.db2.gz NUVYGMTULKCUIA-STQMWFEESA-N 2 0 279.392 -0.267 20 0 CBADRP CN(CC[NH3+])CC[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173748178 820410618 /nfs/dbraw/zinc/41/06/18/820410618.db2.gz DGJZWPBFSMJNIA-RYUDHWBXSA-N 2 0 267.381 -0.363 20 0 CBADRP CN(CC[NH3+])CC[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173748171 820410848 /nfs/dbraw/zinc/41/08/48/820410848.db2.gz DGJZWPBFSMJNIA-NEPJUHHUSA-N 2 0 267.381 -0.363 20 0 CBADRP Cn1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001176072457 820437621 /nfs/dbraw/zinc/43/76/21/820437621.db2.gz UVTWBMMJBWUCLY-GFCCVEGCSA-N 2 0 279.388 -0.032 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC2CC2)C1 ZINC001176071443 820437999 /nfs/dbraw/zinc/43/79/99/820437999.db2.gz DGLGVJDWACACPR-LLVKDONJSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001176058436 820438590 /nfs/dbraw/zinc/43/85/90/820438590.db2.gz XJWPWPMWRPGXSA-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001176072610 820438690 /nfs/dbraw/zinc/43/86/90/820438690.db2.gz ZZZDJWFFLXVKAF-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCC2)C1 ZINC001176072487 820438835 /nfs/dbraw/zinc/43/88/35/820438835.db2.gz VYUCSVGCTRWFTI-GFCCVEGCSA-N 2 0 282.388 -0.734 20 0 CBADRP O=C(C[NH2+]CCCNC(=O)C[NH+]1CCCC1)NCC1CC1 ZINC001176096534 820439919 /nfs/dbraw/zinc/43/99/19/820439919.db2.gz USOGZBFAMMEPNX-UHFFFAOYSA-N 2 0 296.415 -0.296 20 0 CBADRP Cn1nncc1C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176102763 820441225 /nfs/dbraw/zinc/44/12/25/820441225.db2.gz LBMRAUYXTXZZRF-UHFFFAOYSA-N 2 0 280.376 -0.493 20 0 CBADRP O=C(C[NH+]1CCCC1)NCCC[NH2+]CCN1CCCC1=O ZINC001176110483 820441662 /nfs/dbraw/zinc/44/16/62/820441662.db2.gz SNOAXSIDUPBURQ-UHFFFAOYSA-N 2 0 296.415 -0.200 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176103409 820441714 /nfs/dbraw/zinc/44/17/14/820441714.db2.gz YBJGGBPSQIOYOF-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP C[N@H+](C1CN(C(=O)Cc2cnc[nH]2)C1)[C@H]1CCOC1 ZINC001176832714 820459717 /nfs/dbraw/zinc/45/97/17/820459717.db2.gz ZXRAOVAJMATLHL-NSHDSACASA-N 2 0 264.329 -0.116 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001176845399 820469610 /nfs/dbraw/zinc/46/96/10/820469610.db2.gz RWYIBEBQZKRUJN-TXEJJXNPSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH+](C)Cc1ccccc1C(=O)NCCC[NH2+]CC(N)=O ZINC001176948430 820481512 /nfs/dbraw/zinc/48/15/12/820481512.db2.gz WVQMSKFIOVUGRI-UHFFFAOYSA-N 2 0 292.383 -0.057 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001176930836 820481754 /nfs/dbraw/zinc/48/17/54/820481754.db2.gz RARZRNMMQGFQGF-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001176986674 820486429 /nfs/dbraw/zinc/48/64/29/820486429.db2.gz SDFKYPGMRSFRSW-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001176986454 820486797 /nfs/dbraw/zinc/48/67/97/820486797.db2.gz OTWZNONLQJDHDP-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP COCC[NH2+][C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)[C@H]1C ZINC001178414863 820581070 /nfs/dbraw/zinc/58/10/70/820581070.db2.gz SDGXMWFEZJPNLN-RWMBFGLXSA-N 2 0 285.388 -0.458 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CCC[NH+](C)C ZINC001179435540 820626803 /nfs/dbraw/zinc/62/68/03/820626803.db2.gz UTFJBXYLTLLASL-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CC[NH+](C)C ZINC001179481948 820629703 /nfs/dbraw/zinc/62/97/03/820629703.db2.gz MZYVWGZQMTVZGV-UWVGGRQHSA-N 2 0 256.350 -0.998 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CC[NH+](C)C ZINC001179482390 820629819 /nfs/dbraw/zinc/62/98/19/820629819.db2.gz RJAIRLGSIFWOGF-RYUDHWBXSA-N 2 0 284.404 -0.395 20 0 CBADRP C[C@H]1[C@@H]([NH2+][C@H]2CCN(C)C2=O)CCN1C(=O)CC[NH+](C)C ZINC001179486884 820630210 /nfs/dbraw/zinc/63/02/10/820630210.db2.gz UBTJHHUVTVCWAG-AVGNSLFASA-N 2 0 296.415 -0.252 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CC(N)=O ZINC001179587128 820634604 /nfs/dbraw/zinc/63/46/04/820634604.db2.gz WIFGLAAZBOBEEB-QWHCGFSZSA-N 2 0 298.431 -0.064 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)[C@@H]1C ZINC001179744008 820639222 /nfs/dbraw/zinc/63/92/22/820639222.db2.gz CGIKPWRCPIHHGF-SRVKXCTJSA-N 2 0 284.404 -0.219 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H]1C ZINC001179982968 820646753 /nfs/dbraw/zinc/64/67/53/820646753.db2.gz JGGQTCUPHRLBTF-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180131993 820652450 /nfs/dbraw/zinc/65/24/50/820652450.db2.gz QSSDGMPOXPTIND-MJBXVCDLSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001180212042 820653495 /nfs/dbraw/zinc/65/34/95/820653495.db2.gz YOPNCCOJMUAPIV-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)[C@@H]1C ZINC001180226843 820655349 /nfs/dbraw/zinc/65/53/49/820655349.db2.gz OVWZGSCCRTZPSQ-SRVKXCTJSA-N 2 0 284.404 -0.221 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCCCCCC[NH2+]CC(N)=O)C1 ZINC001180260099 820663772 /nfs/dbraw/zinc/66/37/72/820663772.db2.gz TVGOXKNYBGGBLG-LBPRGKRZSA-N 2 0 284.404 -0.310 20 0 CBADRP CNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001180260114 820664231 /nfs/dbraw/zinc/66/42/31/820664231.db2.gz UAVQOJFSZAPPIH-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCCCCC[NH2+]CC(N)=O)C1 ZINC001180260097 820664315 /nfs/dbraw/zinc/66/43/15/820664315.db2.gz TVGOXKNYBGGBLG-GFCCVEGCSA-N 2 0 284.404 -0.310 20 0 CBADRP NC(=O)C[NH2+]CCCCCCNC(=O)C[NH+]1CCCC1 ZINC001180274622 820665225 /nfs/dbraw/zinc/66/52/25/820665225.db2.gz NSNGMNWIIRXINH-UHFFFAOYSA-N 2 0 284.404 -0.166 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)C[NH+](CC)CC ZINC001180390686 820677914 /nfs/dbraw/zinc/67/79/14/820677914.db2.gz DZRQQCIWMYRSHS-UHFFFAOYSA-N 2 0 259.350 -0.321 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H](C)[NH+]1CCCC1 ZINC001180583246 820695496 /nfs/dbraw/zinc/69/54/96/820695496.db2.gz WPYMXZGIPSCFPB-NSHDSACASA-N 2 0 271.361 -0.179 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1COCCO1 ZINC001181003303 820748127 /nfs/dbraw/zinc/74/81/27/820748127.db2.gz HJDLLJLHVNJQSW-JTQLQIEISA-N 2 0 272.349 -0.534 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]1CCCC[C@H]1O ZINC001181092533 820753902 /nfs/dbraw/zinc/75/39/02/820753902.db2.gz QDOXNPFTKPFQRM-NXEZZACHSA-N 2 0 256.350 -0.002 20 0 CBADRP N=c1ncc(C[NH3+])cn1C(=O)C12CC[NH+](CC1)CC2 ZINC001181551460 820796503 /nfs/dbraw/zinc/79/65/03/820796503.db2.gz DOKVRZHJLPEWEQ-UHFFFAOYSA-N 2 0 261.329 -0.053 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001181653340 820806198 /nfs/dbraw/zinc/80/61/98/820806198.db2.gz YGUFRMFLEUBYDW-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001181651688 820807826 /nfs/dbraw/zinc/80/78/26/820807826.db2.gz FDFHMFRANAYWIZ-NEPJUHHUSA-N 2 0 282.388 -0.641 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001181672799 820809054 /nfs/dbraw/zinc/80/90/54/820809054.db2.gz CKVONDQZHNYHPD-NEPJUHHUSA-N 2 0 255.362 -0.347 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182007971 820845717 /nfs/dbraw/zinc/84/57/17/820845717.db2.gz AQBAKPMLBZGRPG-JTQLQIEISA-N 2 0 275.374 -0.925 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1C[C@@H]1C(N)=O ZINC001182391302 820912451 /nfs/dbraw/zinc/91/24/51/820912451.db2.gz NHQYHKWDTHFYIG-DTWKUNHWSA-N 2 0 269.349 -0.828 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1C(=O)C1([NH+](C)C)CC1 ZINC001182597044 820928069 /nfs/dbraw/zinc/92/80/69/820928069.db2.gz HDDKDFDYAPMRMR-NSHDSACASA-N 2 0 255.362 -0.130 20 0 CBADRP C[NH+](C)C1(C(=O)NC2(CO)CC[NH+](C)CC2)CC1 ZINC001182602174 820929325 /nfs/dbraw/zinc/92/93/25/820929325.db2.gz ZDGLEEKVEJKFLM-UHFFFAOYSA-N 2 0 255.362 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182615737 820931106 /nfs/dbraw/zinc/93/11/06/820931106.db2.gz NSCWIUTVMVCQRF-CHWSQXEVSA-N 2 0 294.399 -0.735 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1C[C@H](O)C1 ZINC001182649150 820933739 /nfs/dbraw/zinc/93/37/39/820933739.db2.gz XJKULAGPSZRPLB-MGCOHNPYSA-N 2 0 256.350 -0.179 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676187 820935922 /nfs/dbraw/zinc/93/59/22/820935922.db2.gz DOFFDFCADHOQOI-AAVRWANBSA-N 2 0 299.415 -0.476 20 0 CBADRP C[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001182741735 820939972 /nfs/dbraw/zinc/93/99/72/820939972.db2.gz TUSCVOGZENNWAK-QMTHXVAHSA-N 2 0 293.371 -0.488 20 0 CBADRP CC1(C)OC(=O)C[C@@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001182756472 820942843 /nfs/dbraw/zinc/94/28/43/820942843.db2.gz LYWOEDNVCKVPTO-MRVPVSSYSA-N 2 0 270.333 -0.211 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001183392481 820992394 /nfs/dbraw/zinc/99/23/94/820992394.db2.gz WWGUQLRRFULWFO-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001183581178 821008002 /nfs/dbraw/zinc/00/80/02/821008002.db2.gz FZHXWCOSVWRVJT-VXGBXAGGSA-N 2 0 284.404 -0.395 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001183647708 821012921 /nfs/dbraw/zinc/01/29/21/821012921.db2.gz IQDLCURUSQISKD-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001183647434 821013188 /nfs/dbraw/zinc/01/31/88/821013188.db2.gz HRMLDZSJYQDNSX-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CCOC(=O)[C@@H](C)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001184227186 821060452 /nfs/dbraw/zinc/06/04/52/821060452.db2.gz DAGRIPDQSSPILQ-QMMMGPOBSA-N 2 0 258.322 -0.353 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Cn2cncc2C)C1 ZINC001184301821 821066741 /nfs/dbraw/zinc/06/67/41/821066741.db2.gz PVPYGUSKGBBIMY-CHWSQXEVSA-N 2 0 296.371 -0.611 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C[NH2+]CC(N)=O ZINC001185085846 821099143 /nfs/dbraw/zinc/09/91/43/821099143.db2.gz NFXGXWATNYIRFA-NEPJUHHUSA-N 2 0 284.404 -0.502 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001185249059 821111580 /nfs/dbraw/zinc/11/15/80/821111580.db2.gz MNJYNCGXYIIQPW-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC(C)([NH+](C)C)C1 ZINC001185257856 821113834 /nfs/dbraw/zinc/11/38/34/821113834.db2.gz NBXSNPWUSLFOLU-LLVKDONJSA-N 2 0 254.378 -0.605 20 0 CBADRP CN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001185265631 821118532 /nfs/dbraw/zinc/11/85/32/821118532.db2.gz RLUNLGDCSHUZAF-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001185267558 821120682 /nfs/dbraw/zinc/12/06/82/821120682.db2.gz UUCWQQKLKLGJRF-ZDUSSCGKSA-N 2 0 298.431 -0.411 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CN(C)CCN1C ZINC001185270279 821121818 /nfs/dbraw/zinc/12/18/18/821121818.db2.gz XVVOHXWPUYMLCK-LBPRGKRZSA-N 2 0 298.435 -0.704 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185407789 821128461 /nfs/dbraw/zinc/12/84/61/821128461.db2.gz BSJHSUJAYKGMLD-VXGBXAGGSA-N 2 0 273.377 -0.864 20 0 CBADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001185415895 821128290 /nfs/dbraw/zinc/12/82/90/821128290.db2.gz JIKQYGXIFFPKTE-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185408246 821128788 /nfs/dbraw/zinc/12/87/88/821128788.db2.gz PLRAYQNBBFTTOA-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185407844 821129397 /nfs/dbraw/zinc/12/93/97/821129397.db2.gz FXIFGSNDOACDAU-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001185408675 821129425 /nfs/dbraw/zinc/12/94/25/821129425.db2.gz VPIKVQFTMAOKRA-GFCCVEGCSA-N 2 0 282.388 -0.593 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C[C@H]2C1 ZINC001186043910 821154136 /nfs/dbraw/zinc/15/41/36/821154136.db2.gz AZGAOBNONPFFAY-MGPQQGTHSA-N 2 0 281.400 -0.147 20 0 CBADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](O)C2)C1 ZINC001186044395 821155634 /nfs/dbraw/zinc/15/56/34/821155634.db2.gz GOWADYKMKKTBEW-QWHCGFSZSA-N 2 0 269.389 -0.006 20 0 CBADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](O)C2)C1 ZINC001186044389 821156585 /nfs/dbraw/zinc/15/65/85/821156585.db2.gz GOWADYKMKKTBEW-CHWSQXEVSA-N 2 0 269.389 -0.006 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001186486828 821183768 /nfs/dbraw/zinc/18/37/68/821183768.db2.gz DQFQRNOAUDSQQB-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001186488658 821183895 /nfs/dbraw/zinc/18/38/95/821183895.db2.gz QNBWGOIHQNFCFX-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001186488657 821184006 /nfs/dbraw/zinc/18/40/06/821184006.db2.gz QNBWGOIHQNFCFX-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001186824929 821198459 /nfs/dbraw/zinc/19/84/59/821198459.db2.gz RBKBODHWWSATFX-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001186816542 821198701 /nfs/dbraw/zinc/19/87/01/821198701.db2.gz AEBWJDDEJQNQLX-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187106572 821211847 /nfs/dbraw/zinc/21/18/47/821211847.db2.gz KBAPQUQVEHKIGT-MJBXVCDLSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187106570 821212593 /nfs/dbraw/zinc/21/25/93/821212593.db2.gz KBAPQUQVEHKIGT-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187106097 821213238 /nfs/dbraw/zinc/21/32/38/821213238.db2.gz BFIHCTXDWLXBGL-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CCF)C1 ZINC001187121795 821214603 /nfs/dbraw/zinc/21/46/03/821214603.db2.gz LRTRDASHWBDHPZ-LLVKDONJSA-N 2 0 261.341 -0.275 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001280263765 828347565 /nfs/dbraw/zinc/34/75/65/828347565.db2.gz LTFBYYAKLPQQOK-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001280294885 828347800 /nfs/dbraw/zinc/34/78/00/828347800.db2.gz GLUWFOLZERDXHO-STQMWFEESA-N 2 0 296.415 -0.488 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1 ZINC001280151168 828345144 /nfs/dbraw/zinc/34/51/44/828345144.db2.gz GBOITVNLUIAELQ-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP COCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001280658562 828370314 /nfs/dbraw/zinc/37/03/14/828370314.db2.gz DTEKJVSAAQLDPM-UONOGXRCSA-N 2 0 299.415 -0.208 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001187322137 822267008 /nfs/dbraw/zinc/26/70/08/822267008.db2.gz LAKUWLWGJVRPPJ-CYBMUJFWSA-N 2 0 294.403 -0.190 20 0 CBADRP CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187826075 822299235 /nfs/dbraw/zinc/29/92/35/822299235.db2.gz USHNAVUFIZQTKX-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(=O)N(C)C ZINC001187842930 822299724 /nfs/dbraw/zinc/29/97/24/822299724.db2.gz SBONFGBMVHZUER-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187843166 822300905 /nfs/dbraw/zinc/30/09/05/822300905.db2.gz WEPLZTOENCNICQ-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCCO ZINC001281457910 828416893 /nfs/dbraw/zinc/41/68/93/828416893.db2.gz MPOHUXVQOFIGMA-OLZOCXBDSA-N 2 0 281.400 -0.099 20 0 CBADRP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CCCO ZINC001281770359 828424418 /nfs/dbraw/zinc/42/44/18/828424418.db2.gz HGTJBRKAKXLQKW-LBPRGKRZSA-N 2 0 257.378 -0.051 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001282450636 828447454 /nfs/dbraw/zinc/44/74/54/828447454.db2.gz VTEKXZZQNMEZQP-GHMZBOCLSA-N 2 0 298.387 -0.820 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001283065923 828493848 /nfs/dbraw/zinc/49/38/48/828493848.db2.gz HYSAFKYUHLTKRK-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CCCO)C1 ZINC001283081204 828495994 /nfs/dbraw/zinc/49/59/94/828495994.db2.gz WRGGTNDVKSCSOQ-HAQNSBGRSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@H](CCC[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283279707 828512021 /nfs/dbraw/zinc/51/20/21/828512021.db2.gz YPIQBCUBAOKXCT-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001283797377 828548859 /nfs/dbraw/zinc/54/88/59/828548859.db2.gz MYMJQUSCCSLFSP-SRVKXCTJSA-N 2 0 257.378 -0.197 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]CC1CCC1 ZINC001283804401 828550192 /nfs/dbraw/zinc/55/01/92/828550192.db2.gz PJJAXZLSXMGRLV-LBPRGKRZSA-N 2 0 257.378 -0.195 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]CCC1CC1 ZINC001283827637 828554494 /nfs/dbraw/zinc/55/44/94/828554494.db2.gz OUGFVXQIJSKAOT-ZDUSSCGKSA-N 2 0 269.389 -0.051 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001189040918 823731612 /nfs/dbraw/zinc/73/16/12/823731612.db2.gz JQRXAVACAJCXRL-YNEHKIRRSA-N 2 0 294.399 -0.641 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cncnc1N ZINC001189122157 823738259 /nfs/dbraw/zinc/73/82/59/823738259.db2.gz RAHRBLRZOCVWNN-UHFFFAOYSA-N 2 0 251.294 -0.867 20 0 CBADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001189820109 823776056 /nfs/dbraw/zinc/77/60/56/823776056.db2.gz PTHGFEFBJUCHLP-UONOGXRCSA-N 2 0 299.415 -0.520 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192029248 823941458 /nfs/dbraw/zinc/94/14/58/823941458.db2.gz IZVVEBFMLUOFFH-RYUDHWBXSA-N 2 0 284.404 -0.265 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192029249 823941802 /nfs/dbraw/zinc/94/18/02/823941802.db2.gz IZVVEBFMLUOFFH-VXGBXAGGSA-N 2 0 284.404 -0.265 20 0 CBADRP CN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001192169884 823952769 /nfs/dbraw/zinc/95/27/69/823952769.db2.gz FDZLKOIMUYMHTB-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP COC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170353 823954830 /nfs/dbraw/zinc/95/48/30/823954830.db2.gz JLSUILWDJZVUPD-STQMWFEESA-N 2 0 287.404 -0.522 20 0 CBADRP CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001284418554 828592726 /nfs/dbraw/zinc/59/27/26/828592726.db2.gz UVTJXSIYXQMQOQ-CHWSQXEVSA-N 2 0 269.389 -0.243 20 0 CBADRP CN(C[C@H](O)C[NH2+]CCF)C(=O)C1([NH+](C)C)CCC1 ZINC001284417930 828592750 /nfs/dbraw/zinc/59/27/50/828592750.db2.gz ZJFSAYKXKBWZLA-LLVKDONJSA-N 2 0 275.368 -0.151 20 0 CBADRP COCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001284470466 828599358 /nfs/dbraw/zinc/59/93/58/828599358.db2.gz VGQZPGOZQARLDG-OLZOCXBDSA-N 2 0 287.404 -0.617 20 0 CBADRP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001284470485 828599810 /nfs/dbraw/zinc/59/98/10/828599810.db2.gz VLZOAGZTWIWFHH-RYUDHWBXSA-N 2 0 257.378 -0.245 20 0 CBADRP CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193289830 824017682 /nfs/dbraw/zinc/01/76/82/824017682.db2.gz ADMFFKPCBMCXPB-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@@H](C)C(N)=O)C1 ZINC001193278128 824018757 /nfs/dbraw/zinc/01/87/57/824018757.db2.gz FAOYQVWFWVTTOS-NWDGAFQWSA-N 2 0 284.404 -0.265 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CC)C[C@H]1O ZINC001193455980 824028327 /nfs/dbraw/zinc/02/83/27/824028327.db2.gz JPKAQWXXYAMAFE-IJLUTSLNSA-N 2 0 275.368 -0.153 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ncccc1C(N)=O ZINC001193615919 824039317 /nfs/dbraw/zinc/03/93/17/824039317.db2.gz MPYSBFNAECQHLU-UHFFFAOYSA-N 2 0 278.316 -0.745 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194036726 824056411 /nfs/dbraw/zinc/05/64/11/824056411.db2.gz CQGVGFCPFAUBPL-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP Cc1cc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cn(C)c1=O ZINC001195125835 824104293 /nfs/dbraw/zinc/10/42/93/824104293.db2.gz VXCJEVOTWODCTI-UHFFFAOYSA-N 2 0 279.344 -0.232 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001195284145 824109490 /nfs/dbraw/zinc/10/94/90/824109490.db2.gz PUPHKVYNARJUMQ-ZIAGYGMSSA-N 2 0 299.415 -0.378 20 0 CBADRP COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195676622 824128437 /nfs/dbraw/zinc/12/84/37/824128437.db2.gz GPINUXPNSQYCMZ-JHJVBQTASA-N 2 0 299.415 -0.476 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1snnc1CO ZINC001196363249 824158286 /nfs/dbraw/zinc/15/82/86/824158286.db2.gz CJKBUULIGGXPLP-UHFFFAOYSA-N 2 0 272.334 -0.895 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197044366 824177560 /nfs/dbraw/zinc/17/75/60/824177560.db2.gz RVLKOILFFHHJSZ-CYBMUJFWSA-N 2 0 287.404 -0.520 20 0 CBADRP COC(=O)CNC(=S)N(CC[NH+](C)C)CC[NH+](C)C ZINC001197171109 824180516 /nfs/dbraw/zinc/18/05/16/824180516.db2.gz AAEJCPUTXLLYFX-UHFFFAOYSA-N 2 0 290.433 -0.541 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ncc(F)cn1 ZINC001197213763 824185165 /nfs/dbraw/zinc/18/51/65/824185165.db2.gz JABQLHSJQBCPLD-UHFFFAOYSA-N 2 0 254.269 -0.310 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCCN([C@@H]2CCNC2=O)CC1 ZINC001197491536 824193115 /nfs/dbraw/zinc/19/31/15/824193115.db2.gz FIISBUAUEMQOLR-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](C)OC)C[C@H]1O ZINC001197536096 824194838 /nfs/dbraw/zinc/19/48/38/824194838.db2.gz JEOXTYNIYARLNF-JHJVBQTASA-N 2 0 287.404 -0.476 20 0 CBADRP CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197792166 824202404 /nfs/dbraw/zinc/20/24/04/824202404.db2.gz LDYFGXVTQDVRDC-CHWSQXEVSA-N 2 0 287.404 -0.618 20 0 CBADRP COCCNC(=S)N(CC[NH+](C)C)CC[NH+](C)C ZINC001197843980 824205362 /nfs/dbraw/zinc/20/53/62/824205362.db2.gz UKXHNUBZNYHDHU-UHFFFAOYSA-N 2 0 276.450 -0.068 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCCN([C@H]2CCNC2=O)CC1 ZINC001197914516 824208462 /nfs/dbraw/zinc/20/84/62/824208462.db2.gz UASCTLASADJUED-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198699949 824234709 /nfs/dbraw/zinc/23/47/09/824234709.db2.gz ZKYZCJJPKFLPML-YNEHKIRRSA-N 2 0 285.388 -0.864 20 0 CBADRP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198662519 824236377 /nfs/dbraw/zinc/23/63/77/824236377.db2.gz RBROUQHGPQMJHL-YNEHKIRRSA-N 2 0 285.388 -0.864 20 0 CBADRP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198661170 824236630 /nfs/dbraw/zinc/23/66/30/824236630.db2.gz DDDOZZMDRJSGKB-MGPQQGTHSA-N 2 0 299.415 -0.476 20 0 CBADRP O=C(NCC[NH2+]CCO)c1c[nH+]ccc1N1CCCC1 ZINC001199373083 824263984 /nfs/dbraw/zinc/26/39/84/824263984.db2.gz UOHHMHZASPYKTQ-UHFFFAOYSA-N 2 0 278.356 -0.007 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCCO)C1 ZINC001200122436 824307572 /nfs/dbraw/zinc/30/75/72/824307572.db2.gz DLOZBCLZHNHSGP-UONOGXRCSA-N 2 0 299.415 -0.330 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CCO)C1)C1CC1 ZINC001200696173 824324642 /nfs/dbraw/zinc/32/46/42/824324642.db2.gz JIFGAQRZCYYKEO-ZIAGYGMSSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)CCC(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001201333732 824331606 /nfs/dbraw/zinc/33/16/06/824331606.db2.gz CDFSKVMMHZMFEZ-GFCCVEGCSA-N 2 0 273.377 -0.863 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCO[C@H](C[NH2+]CCO)C2)C1 ZINC001201402089 824332018 /nfs/dbraw/zinc/33/20/18/824332018.db2.gz ANIXLXYIRZGBBM-ZIAGYGMSSA-N 2 0 299.415 -0.472 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001201811582 824336664 /nfs/dbraw/zinc/33/66/64/824336664.db2.gz YHMWLKALJFHDTP-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201811583 824336676 /nfs/dbraw/zinc/33/66/76/824336676.db2.gz YHMWLKALJFHDTP-ZDUSSCGKSA-N 2 0 287.404 -0.472 20 0 CBADRP CC[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201863373 824337724 /nfs/dbraw/zinc/33/77/24/824337724.db2.gz LTOHGGFVFDACOA-ZDUSSCGKSA-N 2 0 287.404 -0.208 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001201862908 824337870 /nfs/dbraw/zinc/33/78/70/824337870.db2.gz ICJOHSKZKMYREQ-KGLIPLIRSA-N 2 0 299.415 -0.472 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCCO[C@@H](C[NH2+]CCCO)C1 ZINC001202057145 824341557 /nfs/dbraw/zinc/34/15/57/824341557.db2.gz CSKKRSHXQDHLCU-AWEZNQCLSA-N 2 0 299.415 -0.328 20 0 CBADRP C[C@H]([NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1)C(N)=O ZINC001202225426 824342823 /nfs/dbraw/zinc/34/28/23/824342823.db2.gz XSNYUPIFHGCMBO-NSHDSACASA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]([NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1)C(N)=O ZINC001202316203 824346707 /nfs/dbraw/zinc/34/67/07/824346707.db2.gz QTUMIFRBDWEBFD-SNVBAGLBSA-N 2 0 270.377 -0.608 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC([NH2+]CC(=O)NC)CC1 ZINC001203437879 824362214 /nfs/dbraw/zinc/36/22/14/824362214.db2.gz VUDIFZJDYWMELP-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203714876 824362814 /nfs/dbraw/zinc/36/28/14/824362814.db2.gz UIELCCFAWPFXLS-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP COC[C@@H](O)C[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203709168 824362994 /nfs/dbraw/zinc/36/29/94/824362994.db2.gz MVEPNTYDYGCVKS-AWEZNQCLSA-N 2 0 299.415 -0.330 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+]CCO)CC1 ZINC001203932521 824363520 /nfs/dbraw/zinc/36/35/20/824363520.db2.gz ISUBWUPBIXMZKG-UHFFFAOYSA-N 2 0 257.378 -0.101 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001203925899 824363686 /nfs/dbraw/zinc/36/36/86/824363686.db2.gz YKRIRQHPMGVJHH-CYBMUJFWSA-N 2 0 296.415 -0.204 20 0 CBADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cnc3n2CC[NH2+]CC3)CC1 ZINC001205220545 824376208 /nfs/dbraw/zinc/37/62/08/824376208.db2.gz LNKWBIRQEHQCDO-HNNXBMFYSA-N 3 0 293.415 -0.296 20 0 CBADRP [NH3+][C@@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)C[C@H]1O ZINC001205351975 824377206 /nfs/dbraw/zinc/37/72/06/824377206.db2.gz BVFBOFFNZDNJEJ-GHMZBOCLSA-N 2 0 253.371 -0.102 20 0 CBADRP [NH3+][C@@H]1CN(Cc2cccc(N3CC[NH2+]CC3)c2)C[C@H]1O ZINC001205357830 824378293 /nfs/dbraw/zinc/37/82/93/824378293.db2.gz JRLVGJPAYMBGPO-HUUCEWRRSA-N 2 0 276.384 -0.400 20 0 CBADRP [NH3+][C@@H]1CCN(Cc2ccccc2N2CC[NH2+]CC2)C[C@H]1O ZINC001205958950 824391131 /nfs/dbraw/zinc/39/11/31/824391131.db2.gz HUCLZKYAXYASNZ-GDBMZVCRSA-N 2 0 290.411 -0.010 20 0 CBADRP [NH3+][C@@H]1CN(Cc2ccc3n2CC[NH2+]C3)CC[C@H]1O ZINC001206092425 824392996 /nfs/dbraw/zinc/39/29/96/824392996.db2.gz FUYGKPJBZDOVST-CHWSQXEVSA-N 2 0 250.346 -0.515 20 0 CBADRP Cn1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(=O)n(C)c1=O ZINC001206184116 824394916 /nfs/dbraw/zinc/39/49/16/824394916.db2.gz HPRSFUPEACKBAL-WDEREUQCSA-N 2 0 284.335 -0.655 20 0 CBADRP C[C@@H]([NH2+]CC1CCN(C(=O)Cc2cnc[nH]2)CC1)C(N)=O ZINC001206401165 824398008 /nfs/dbraw/zinc/39/80/08/824398008.db2.gz BPZWRRIRJVTDCX-SNVBAGLBSA-N 2 0 293.371 -0.346 20 0 CBADRP C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001206929215 824413160 /nfs/dbraw/zinc/41/31/60/824413160.db2.gz ZOHFIRSQJIVRAT-WCQYABFASA-N 2 0 296.415 -0.360 20 0 CBADRP O=C1COC[C@H]2C[N@H+](CC3CC[NH2+]CC3)CCN12 ZINC001207439647 824427681 /nfs/dbraw/zinc/42/76/81/824427681.db2.gz XAUOPOIJAZWWFJ-GFCCVEGCSA-N 2 0 253.346 -0.471 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207547362 824430878 /nfs/dbraw/zinc/43/08/78/824430878.db2.gz UEZRWKPPSROOOV-VXGBXAGGSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001208454081 824452811 /nfs/dbraw/zinc/45/28/11/824452811.db2.gz SIHPUZSBBCVFIL-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP C[N@H+](C1CN(CCN2CCOCC2)C1)[C@@H]1CCOC1 ZINC001209294817 824467443 /nfs/dbraw/zinc/46/74/43/824467443.db2.gz IGMXRSQEUNLUAW-CYBMUJFWSA-N 2 0 269.389 -0.277 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001209315542 824468960 /nfs/dbraw/zinc/46/89/60/824468960.db2.gz QVHLOFJEBRLFKD-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001209455554 824471784 /nfs/dbraw/zinc/47/17/84/824471784.db2.gz UULIHYFCSDQYFI-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209454979 824472008 /nfs/dbraw/zinc/47/20/08/824472008.db2.gz QFKIXURGVGENEV-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001209642690 824473642 /nfs/dbraw/zinc/47/36/42/824473642.db2.gz NAYZRLQUANOTNU-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001209669605 824474362 /nfs/dbraw/zinc/47/43/62/824474362.db2.gz QITOWLGCYSGPHH-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209829639 824476525 /nfs/dbraw/zinc/47/65/25/824476525.db2.gz JBEULNVOJURGRH-TZMCWYRMSA-N 2 0 299.415 -0.474 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1C ZINC001210528730 824479897 /nfs/dbraw/zinc/47/98/97/824479897.db2.gz DSVWXCFOZBMPLL-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP C[NH+](C)CCOCC(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001210685077 824480751 /nfs/dbraw/zinc/48/07/51/824480751.db2.gz MRHKZYHCEUGMRW-LBPRGKRZSA-N 2 0 273.377 -0.863 20 0 CBADRP COCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342159 824510869 /nfs/dbraw/zinc/51/08/69/824510869.db2.gz JIHZIUAAZLSANH-CHWSQXEVSA-N 2 0 299.415 -0.210 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1OC ZINC001213596956 824512985 /nfs/dbraw/zinc/51/29/85/824512985.db2.gz RQMSIBFYLNEEHG-YNEHKIRRSA-N 2 0 287.404 -0.476 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](C)O)C[C@H]1OC ZINC001213767270 824516682 /nfs/dbraw/zinc/51/66/82/824516682.db2.gz KYNVMUOUKNUANH-JHJVBQTASA-N 2 0 287.404 -0.476 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214335896 824528381 /nfs/dbraw/zinc/52/83/81/824528381.db2.gz METJZZCZOOZJNB-IJLUTSLNSA-N 2 0 282.388 -0.737 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216852268 824551172 /nfs/dbraw/zinc/55/11/72/824551172.db2.gz TVKSAUXACMRDLJ-FRRDWIJNSA-N 2 0 298.431 -0.102 20 0 CBADRP C(O[C@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217793058 824560775 /nfs/dbraw/zinc/56/07/75/824560775.db2.gz LXYQSCXORSBSQD-RVMXOQNASA-N 2 0 268.357 -0.099 20 0 CBADRP C(O[C@@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217802533 824562307 /nfs/dbraw/zinc/56/23/07/824562307.db2.gz AGDMENBZIJFBER-SEBNEYGDSA-N 2 0 281.400 -0.184 20 0 CBADRP NC(=O)[C@@H]([NH3+])Cc1ccc(O[C@H]2C[NH2+]CCOC2)cc1 ZINC001218044032 824564870 /nfs/dbraw/zinc/56/48/70/824564870.db2.gz LQOZXVUERGCFBQ-STQMWFEESA-N 2 0 279.340 -0.591 20 0 CBADRP Cn1nnnc1NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001218497082 824570286 /nfs/dbraw/zinc/57/02/86/824570286.db2.gz NYBJFVLSJWFSPY-QMMMGPOBSA-N 2 0 255.326 -0.792 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1nnnn1C ZINC001218497220 824570773 /nfs/dbraw/zinc/57/07/73/824570773.db2.gz PFRSCTZWQNXAPM-VIFPVBQESA-N 2 0 269.353 -0.356 20 0 CBADRP Cc1cnc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)nc1C ZINC001218498230 824570794 /nfs/dbraw/zinc/57/07/94/824570794.db2.gz WULUCEPLNRZDSL-SNVBAGLBSA-N 2 0 261.329 -0.159 20 0 CBADRP O=C(Nc1noc2cccnc21)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218503091 824571865 /nfs/dbraw/zinc/57/18/65/824571865.db2.gz LLBAZIWDADSWFT-MRVPVSSYSA-N 2 0 273.296 -0.030 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cc[nH]n1 ZINC001218506507 824573479 /nfs/dbraw/zinc/57/34/79/824573479.db2.gz UFCVYSZTWXVXRA-SECBINFHSA-N 2 0 252.322 -0.901 20 0 CBADRP Cc1c(NC(=O)[C@@H]([NH3+])CSCC[NH3+])cnn1C ZINC001218505003 824574136 /nfs/dbraw/zinc/57/41/36/824574136.db2.gz KGSDNHPTCGEIGY-QMMMGPOBSA-N 2 0 257.363 -0.314 20 0 CBADRP O=C(Nc1ccc(Cl)nn1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218509076 824576070 /nfs/dbraw/zinc/57/60/70/824576070.db2.gz PKMISQAGUYDHSG-SSDOTTSWSA-N 2 0 267.720 -0.123 20 0 CBADRP O=C(Nc1n[nH]c(C(F)(F)F)n1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218511294 824576783 /nfs/dbraw/zinc/57/67/83/824576783.db2.gz OPBUYAFDGROWQB-RXMQYKEDSA-N 2 0 290.249 -0.429 20 0 CBADRP CCOC(=O)c1cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)[nH]n1 ZINC001218510726 824577900 /nfs/dbraw/zinc/57/79/00/824577900.db2.gz NGMKRYHOXPOAKJ-MRVPVSSYSA-N 2 0 293.327 -0.666 20 0 CBADRP Cn1c(NC(=O)[C@H]([NH3+])CCC[NH3+])nnc1C(F)(F)F ZINC001218514492 824579635 /nfs/dbraw/zinc/57/96/35/824579635.db2.gz AFWIVDOQEVQRDH-RXMQYKEDSA-N 2 0 280.254 -0.161 20 0 CBADRP Cc1cc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)n2ncnc2n1 ZINC001218528466 824583296 /nfs/dbraw/zinc/58/32/96/824583296.db2.gz ULDXALOKJDNMOY-NSHDSACASA-N 2 0 289.343 -0.302 20 0 CBADRP Cc1cc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)n2ncnc2n1 ZINC001218528462 824583366 /nfs/dbraw/zinc/58/33/66/824583366.db2.gz ULDXALOKJDNMOY-LLVKDONJSA-N 2 0 289.343 -0.302 20 0 CBADRP Cc1cc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])n2ncnc2n1 ZINC001218528929 824584334 /nfs/dbraw/zinc/58/43/34/824584334.db2.gz WBZMBPLHWKSVSW-QMMMGPOBSA-N 2 0 295.372 -0.610 20 0 CBADRP [NH3+][C@@H]1CCc2nc(NC(=O)[C@H]3[NH2+]CC[C@@H]3O)sc2C1 ZINC001218535674 824585692 /nfs/dbraw/zinc/58/56/92/824585692.db2.gz ZEFHAHWRQYQYSX-PMVVWTBXSA-N 2 0 282.369 -0.380 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218534859 824585738 /nfs/dbraw/zinc/58/57/38/824585738.db2.gz YRBPKOZPTSTPKV-BQBZGAKWSA-N 2 0 270.358 -0.393 20 0 CBADRP [NH3+][C@@H]1CCc2nc(NC(=O)[C@H]3C[NH2+]CCN3)sc2C1 ZINC001218535074 824586161 /nfs/dbraw/zinc/58/61/61/824586161.db2.gz WNJBQOPLUVUJBH-VXNVDRBHSA-N 2 0 281.385 -0.541 20 0 CBADRP CCOC(=O)c1n[nH]cc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218549097 824589003 /nfs/dbraw/zinc/58/90/03/824589003.db2.gz FCUFFSBECKYPDY-SSDOTTSWSA-N 2 0 269.305 -0.409 20 0 CBADRP Cc1noc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c1C(N)=O ZINC001218551801 824589856 /nfs/dbraw/zinc/58/98/56/824589856.db2.gz VKZNOZVGYRYYSC-VIFPVBQESA-N 2 0 281.316 -0.653 20 0 CBADRP Cn1ncc2c1ncnc2NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218557344 824590038 /nfs/dbraw/zinc/59/00/38/824590038.db2.gz PGFDKELSPBIBQY-QMMMGPOBSA-N 2 0 295.372 -0.679 20 0 CBADRP CN(C)c1cc[nH+]cc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218563111 824591905 /nfs/dbraw/zinc/59/19/05/824591905.db2.gz KWBAAVJRODSYJD-JTQLQIEISA-N 3 0 275.356 -0.105 20 0 CBADRP CCOC(=O)c1[nH]cnc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218559774 824592435 /nfs/dbraw/zinc/59/24/35/824592435.db2.gz PWXMFXCDFXCOLV-SSDOTTSWSA-N 2 0 269.305 -0.409 20 0 CBADRP CCOC(=O)c1[nH]cnc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218560236 824592451 /nfs/dbraw/zinc/59/24/51/824592451.db2.gz VVDVNTSFZNJCNB-QMMMGPOBSA-N 2 0 293.327 -0.666 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)Nc1ncnn2cccc12 ZINC001218564479 824593385 /nfs/dbraw/zinc/59/33/85/824593385.db2.gz IWVZMCGYZKBZKT-SECBINFHSA-N 2 0 271.284 -0.617 20 0 CBADRP Cc1nc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc(=O)[nH]1 ZINC001218565367 824593578 /nfs/dbraw/zinc/59/35/78/824593578.db2.gz VNBAZRAUJDWRTE-SNVBAGLBSA-N 2 0 294.359 -0.820 20 0 CBADRP Cc1nc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)cc(=O)[nH]1 ZINC001218565042 824593863 /nfs/dbraw/zinc/59/38/63/824593863.db2.gz PSBZGXFAPJGVSP-NOZJJQNGSA-N 2 0 277.328 -0.372 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccnnc1 ZINC001218569055 824594624 /nfs/dbraw/zinc/59/46/24/824594624.db2.gz RVSBCECGKBIKTQ-LLVKDONJSA-N 2 0 264.333 -0.835 20 0 CBADRP O=C(Nc1[nH]nc2nccnc21)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218569042 824595035 /nfs/dbraw/zinc/59/50/35/824595035.db2.gz REWLOJTYMBQAKY-SSDOTTSWSA-N 2 0 273.300 -0.948 20 0 CBADRP [NH3+][C@@H](C(=O)Nc1[nH]nc2nccnc21)C1CC[NH2+]CC1 ZINC001218568647 824595218 /nfs/dbraw/zinc/59/52/18/824595218.db2.gz RAQSTMVBRDSYEQ-MRVPVSSYSA-N 2 0 275.316 -0.430 20 0 CBADRP COc1cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)no1 ZINC001218574300 824597384 /nfs/dbraw/zinc/59/73/84/824597384.db2.gz QMSRGVVTJDMKHV-SSDOTTSWSA-N 2 0 252.274 -0.569 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)Nc1noc2nccnc12 ZINC001218574549 824597544 /nfs/dbraw/zinc/59/75/44/824597544.db2.gz VEIAQADKQJLRSM-UHFFFAOYSA-N 2 0 276.300 -0.102 20 0 CBADRP CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218582588 824598399 /nfs/dbraw/zinc/59/83/99/824598399.db2.gz RCAMFIFIWQQZRP-UONOGXRCSA-N 2 0 299.415 -0.114 20 0 CBADRP COC(=O)c1cncc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001218580796 824598661 /nfs/dbraw/zinc/59/86/61/824598661.db2.gz XCNMGHBTECIIPR-QMMMGPOBSA-N 2 0 291.311 -0.989 20 0 CBADRP COc1ncc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cn1 ZINC001218594037 824601007 /nfs/dbraw/zinc/60/10/07/824601007.db2.gz RLZOQVOEPXEHSS-LLVKDONJSA-N 2 0 294.359 -0.826 20 0 CBADRP Cn1cncc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218622893 824605748 /nfs/dbraw/zinc/60/57/48/824605748.db2.gz YKZUFBFXBMIMHA-JTQLQIEISA-N 2 0 266.349 -0.891 20 0 CBADRP N=c1c(N)cnc(Cl)n1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218622889 824606670 /nfs/dbraw/zinc/60/66/70/824606670.db2.gz YJFICIRIWHUFIA-MRVPVSSYSA-N 2 0 284.751 -0.435 20 0 CBADRP N=c1c(N)cnc(Cl)n1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218620660 824606673 /nfs/dbraw/zinc/60/66/73/824606673.db2.gz DKKVSDUOJBCZNL-LURJTMIESA-N 2 0 272.740 -0.305 20 0 CBADRP COC(=O)c1scnc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218625099 824607268 /nfs/dbraw/zinc/60/72/68/824607268.db2.gz STLIDOSOXVHQJE-ZETCQYMHSA-N 2 0 296.352 -0.323 20 0 CBADRP COC(=O)c1cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cn1C ZINC001218632123 824610230 /nfs/dbraw/zinc/61/02/30/824610230.db2.gz PBSFABJPEYHRKV-SNVBAGLBSA-N 2 0 292.339 -0.441 20 0 CBADRP CSc1[nH]nc(NC(=O)[C@@H]([NH3+])CCC[NH3+])c1C(N)=O ZINC001218639214 824611764 /nfs/dbraw/zinc/61/17/64/824611764.db2.gz ZPHYVXXOEDVJDO-YFKPBYRVSA-N 2 0 286.361 -0.765 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218639733 824612757 /nfs/dbraw/zinc/61/27/57/824612757.db2.gz BGEYSRXMJOUCAV-SECBINFHSA-N 2 0 265.317 -0.656 20 0 CBADRP Cc1nc(Cl)c(N)c(=N)n1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218641901 824612855 /nfs/dbraw/zinc/61/28/55/824612855.db2.gz JRUDSXFGENKTFN-ZCFIWIBFSA-N 2 0 272.740 -0.387 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640114 824612902 /nfs/dbraw/zinc/61/29/02/824612902.db2.gz FIQNXQXHYOCQSG-LBPRGKRZSA-N 3 0 280.376 -0.317 20 0 CBADRP CCc1nccnc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218645382 824613784 /nfs/dbraw/zinc/61/37/84/824613784.db2.gz GYZSACXGTUOQLX-NSHDSACASA-N 2 0 292.387 -0.272 20 0 CBADRP Nc1ncc(Cl)nc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218651570 824615490 /nfs/dbraw/zinc/61/54/90/824615490.db2.gz BMWZAEMAVJXXGJ-MRVPVSSYSA-N 2 0 284.751 -0.022 20 0 CBADRP Nc1ncc(Cl)nc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218652789 824616975 /nfs/dbraw/zinc/61/69/75/824616975.db2.gz QABIGFPRPVSSJQ-YFKPBYRVSA-N 2 0 258.713 -0.283 20 0 CBADRP Nc1cnc(Cl)c(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)n1 ZINC001218674183 824621165 /nfs/dbraw/zinc/62/11/65/824621165.db2.gz UMTYRZRRLDOEKO-QMMMGPOBSA-N 2 0 284.751 -0.022 20 0 CBADRP Nc1cccnc1N(C(=O)CNCC[NH3+])C1CC[NH2+]CC1 ZINC001218694711 824622758 /nfs/dbraw/zinc/62/27/58/824622758.db2.gz AUQLHGABFHQKIR-UHFFFAOYSA-N 2 0 292.387 -0.703 20 0 CBADRP COCn1cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cn1 ZINC001218700151 824623204 /nfs/dbraw/zinc/62/32/04/824623204.db2.gz DZYFYXLEZQUXDV-SNVBAGLBSA-N 2 0 265.317 -0.766 20 0 CBADRP Cc1nc2[nH]cnc2c(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)n1 ZINC001218699511 824623703 /nfs/dbraw/zinc/62/37/03/824623703.db2.gz KMPJCIVEYODISL-SECBINFHSA-N 2 0 289.343 -0.073 20 0 CBADRP COCn1cc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cn1 ZINC001218700255 824623865 /nfs/dbraw/zinc/62/38/65/824623865.db2.gz HKVSMAHLAFSUFA-GFCCVEGCSA-N 2 0 296.375 -0.824 20 0 CBADRP NC(=O)c1cnoc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218702796 824624895 /nfs/dbraw/zinc/62/48/95/824624895.db2.gz WSYGXGOJPJOXQQ-MRVPVSSYSA-N 2 0 267.289 -0.961 20 0 CBADRP [NH3+]Cc1cncc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001218704040 824625840 /nfs/dbraw/zinc/62/58/40/824625840.db2.gz KJSIFHDZFAKRFS-LLVKDONJSA-N 3 0 261.329 -0.712 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)Nc1cc([C@H]2CCC[NH2+]2)no1 ZINC001218710226 824626092 /nfs/dbraw/zinc/62/60/92/824626092.db2.gz GOANDIZQJFEPPA-JGVFFNPUSA-N 2 0 254.290 -0.253 20 0 CBADRP [NH3+]Cc1cncc(NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)c1 ZINC001218705637 824626168 /nfs/dbraw/zinc/62/61/68/824626168.db2.gz XAEICRYHNAVBJG-WZRBSPASSA-N 2 0 261.329 -0.299 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1cncc(C[NH3+])c1 ZINC001218705207 824626755 /nfs/dbraw/zinc/62/67/55/824626755.db2.gz MDVWGVLHBJFXJZ-NSHDSACASA-N 3 0 251.334 -0.065 20 0 CBADRP [NH3+]Cc1cncc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c1 ZINC001218704509 824626816 /nfs/dbraw/zinc/62/68/16/824626816.db2.gz VOROCMFGIHEZLH-BXUZGUMPSA-N 3 0 275.356 -0.322 20 0 CBADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@H]1[NH2+]CC[C@H]1O ZINC001218731261 824629002 /nfs/dbraw/zinc/62/90/02/824629002.db2.gz KEOUGPVYUZQTOJ-WZRBSPASSA-N 2 0 292.339 -0.516 20 0 CBADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@H]1C[NH2+]C[C@H]1O ZINC001218728184 824629409 /nfs/dbraw/zinc/62/94/09/824629409.db2.gz UJPQSIPHVNMABN-GRYCIOLGSA-N 2 0 292.339 -0.659 20 0 CBADRP CCN(C)c1ncc(NC(=O)[C@H]([NH3+])CCC[NH3+])cn1 ZINC001218741471 824630319 /nfs/dbraw/zinc/63/03/19/824630319.db2.gz WBFNSTRUPNCSOG-SNVBAGLBSA-N 2 0 266.349 -0.063 20 0 CBADRP CCN=c1ncc(N)cn1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218740214 824630626 /nfs/dbraw/zinc/63/06/26/824630626.db2.gz VTFJPWJGJWVHKO-NSHDSACASA-N 2 0 278.360 -0.647 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ncccc1CCO ZINC001218792696 824638550 /nfs/dbraw/zinc/63/85/50/824638550.db2.gz NVRNGPLKEXFRSK-JTQLQIEISA-N 2 0 284.385 -0.426 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1ncccc1CCO ZINC001218790154 824639066 /nfs/dbraw/zinc/63/90/66/824639066.db2.gz BSCODUACOMJNNH-SNVBAGLBSA-N 2 0 252.318 -0.379 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1ncccc1CCO ZINC001218790153 824639252 /nfs/dbraw/zinc/63/92/52/824639252.db2.gz BSCODUACOMJNNH-JTQLQIEISA-N 2 0 252.318 -0.379 20 0 CBADRP O=C(Nc1cnn2c1OCCC2)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218794670 824639841 /nfs/dbraw/zinc/63/98/41/824639841.db2.gz UAXDAMVHTAIYRO-SECBINFHSA-N 2 0 277.328 -0.587 20 0 CBADRP Nc1cccc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001218826048 824643457 /nfs/dbraw/zinc/64/34/57/824643457.db2.gz ZZHJCUXIPQRMLL-ZDUSSCGKSA-N 2 0 277.372 -0.042 20 0 CBADRP Cn1nnc2cc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])ccc21 ZINC001218880843 824645295 /nfs/dbraw/zinc/64/52/95/824645295.db2.gz ITDPOZDXRFUUBK-VIFPVBQESA-N 2 0 294.384 -0.074 20 0 CBADRP Nc1ccc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c(CCO)c1 ZINC001218919853 824648740 /nfs/dbraw/zinc/64/87/40/824648740.db2.gz SGSRXQXSBYFRQE-NSHDSACASA-N 2 0 298.412 -0.239 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2CN(C[C@@H](C)O)C[C@@H]21 ZINC001219055058 824654545 /nfs/dbraw/zinc/65/45/45/824654545.db2.gz ULNKOGPEWXSTKR-HZSPNIEDSA-N 2 0 299.415 -0.381 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)C1 ZINC001219119471 824664506 /nfs/dbraw/zinc/66/45/06/824664506.db2.gz ZIJYXAXXXRUYFM-RISCZKNCSA-N 3 0 289.383 -0.276 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219116983 824665136 /nfs/dbraw/zinc/66/51/36/824665136.db2.gz UGDGEZIABBUGSX-ZDUSSCGKSA-N 2 0 278.356 -0.256 20 0 CBADRP O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@H]1C[NH2+]C[C@H]1O ZINC001219118830 824665420 /nfs/dbraw/zinc/66/54/20/824665420.db2.gz QNNIHJHPZYPDAA-UONOGXRCSA-N 2 0 290.367 -0.385 20 0 CBADRP N[C@@H](C[NH3+])C(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219116441 824665387 /nfs/dbraw/zinc/66/53/87/824665387.db2.gz MZSIARXFWSAECP-LBPRGKRZSA-N 2 0 263.345 -0.679 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219118633 824665424 /nfs/dbraw/zinc/66/54/24/824665424.db2.gz OVNRGTRYCXPEJM-KBPBESRZSA-N 2 0 289.383 -0.419 20 0 CBADRP [NH3+]Cc1ccc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cc1 ZINC001219345234 824694430 /nfs/dbraw/zinc/69/44/30/824694430.db2.gz DOWQVCJHWBFSLJ-GFCCVEGCSA-N 3 0 260.341 -0.107 20 0 CBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219345579 824695427 /nfs/dbraw/zinc/69/54/27/824695427.db2.gz USNIUONSLDGRFO-NSHDSACASA-N 2 0 279.344 -0.140 20 0 CBADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)[C@H]1C[NH2+]CCN1 ZINC001219537325 824722930 /nfs/dbraw/zinc/72/29/30/824722930.db2.gz KZCFOMATUSEBNO-XWIASGKRSA-N 2 0 288.351 -0.366 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219532640 824723315 /nfs/dbraw/zinc/72/33/15/824723315.db2.gz BPUAECRGXQLOCP-VDDIYKPWSA-N 2 0 277.324 -0.217 20 0 CBADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219537929 824726102 /nfs/dbraw/zinc/72/61/02/824726102.db2.gz RNLLCOKYHNXHNV-RUSTZOOPSA-N 2 0 289.335 -0.204 20 0 CBADRP C[NH+](C)CCNC(=O)c1ccc([C@@H](N)C[NH3+])cc1 ZINC001219553776 824726720 /nfs/dbraw/zinc/72/67/20/824726720.db2.gz LKAHQSWUXVWKKL-LBPRGKRZSA-N 2 0 250.346 -0.064 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219555798 824728678 /nfs/dbraw/zinc/72/86/78/824728678.db2.gz SGINMBWOVKOFCP-TZMCWYRMSA-N 3 0 268.405 -0.357 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001219555700 824729194 /nfs/dbraw/zinc/72/91/94/824729194.db2.gz NUTDWMZMISCMDJ-JTQLQIEISA-N 3 0 262.423 -0.536 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCC(F)F ZINC001219561338 824731136 /nfs/dbraw/zinc/73/11/36/824731136.db2.gz GGEPRQJQTYLFHW-QMMMGPOBSA-N 2 0 250.293 -0.882 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCCN1CCCCC1=O ZINC001219567232 824733209 /nfs/dbraw/zinc/73/32/09/824733209.db2.gz BVJYXMMQUTWDMR-JTQLQIEISA-N 2 0 256.350 -0.819 20 0 CBADRP CC[C@H](C)[C@@H]([NH3+])CC(=O)N(CC[NH3+])S(C)(=O)=O ZINC001219595997 824739493 /nfs/dbraw/zinc/73/94/93/824739493.db2.gz ZOQVNWBRVYQUCJ-IUCAKERBSA-N 2 0 265.379 -0.503 20 0 CBADRP Cc1ccnc(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001219600427 824740517 /nfs/dbraw/zinc/74/05/17/824740517.db2.gz SWSLZJAPNYHUJY-JTQLQIEISA-N 2 0 261.329 -0.790 20 0 CBADRP Cc1cnc(CCNC(=O)[C@@H]([NH3+])CSCC[NH3+])nc1 ZINC001219603625 824850413 /nfs/dbraw/zinc/85/04/13/824850413.db2.gz AUPUHDUTHFCVSP-JTQLQIEISA-N 2 0 283.401 -0.537 20 0 CBADRP O=C(NCc1c[nH]cn1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219606829 824852694 /nfs/dbraw/zinc/85/26/94/824852694.db2.gz UKYNDISUAAXNSD-NSHDSACASA-N 2 0 263.345 -0.100 20 0 CBADRP Cc1nocc1CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001219608222 824852709 /nfs/dbraw/zinc/85/27/09/824852709.db2.gz SRWLRZLBSPNZGB-NSHDSACASA-N 2 0 252.318 -0.074 20 0 CBADRP Cc1nocc1CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001219608537 824852828 /nfs/dbraw/zinc/85/28/28/824852828.db2.gz ZXJNDQNXNLBJLO-VIFPVBQESA-N 2 0 258.347 -0.382 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611443 824853935 /nfs/dbraw/zinc/85/39/35/824853935.db2.gz ZAZXRYFAFCKKAC-CBAPKCEASA-N 3 0 268.283 -0.537 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611441 824854158 /nfs/dbraw/zinc/85/41/58/824854158.db2.gz ZAZXRYFAFCKKAC-APPZFPTMSA-N 3 0 268.283 -0.537 20 0 CBADRP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219610086 824855374 /nfs/dbraw/zinc/85/53/74/824855374.db2.gz KTCXCTJPCLUDOI-WHQQTDPMSA-N 2 0 263.263 -0.138 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617332 824857218 /nfs/dbraw/zinc/85/72/18/824857218.db2.gz KLMGNKJMZJMFDN-HNCHTBHHSA-N 2 0 273.352 -0.589 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219617393 824857277 /nfs/dbraw/zinc/85/72/77/824857277.db2.gz MGDOKNXUDGYISM-MPPDQPJWSA-N 2 0 273.352 -0.447 20 0 CBADRP CC(C)[C@H](C[NH3+])C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219619742 824858207 /nfs/dbraw/zinc/85/82/07/824858207.db2.gz OZQDNWAGSPYUGJ-JBLDHEPKSA-N 2 0 261.341 -0.604 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219619454 824859890 /nfs/dbraw/zinc/85/98/90/824859890.db2.gz IOFMBNLQBYHOHJ-HNCHTBHHSA-N 2 0 273.352 -0.317 20 0 CBADRP CC(C)(C)[C@H]([NH3+])CC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219621926 824862036 /nfs/dbraw/zinc/86/20/36/824862036.db2.gz JNXSBHAXSJPICW-OPQQBVKSSA-N 2 0 275.368 -0.071 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCN1CCCCO1 ZINC001219632450 824865879 /nfs/dbraw/zinc/86/58/79/824865879.db2.gz NKDHGVODGHASSZ-JTQLQIEISA-N 2 0 276.406 -0.851 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2C[NH2+]Cc3ccnn3C2)C1 ZINC001219639123 824868351 /nfs/dbraw/zinc/86/83/51/824868351.db2.gz VLJIXSNGHCDMRK-RWMBFGLXSA-N 2 0 291.399 -0.036 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001219641949 824869330 /nfs/dbraw/zinc/86/93/30/824869330.db2.gz NDJBCTDFIPQHET-TUAOUCFPSA-N 3 0 266.389 -0.843 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001219641947 824869285 /nfs/dbraw/zinc/86/92/85/824869285.db2.gz NDJBCTDFIPQHET-SDDRHHMPSA-N 3 0 266.389 -0.843 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001219642040 824869469 /nfs/dbraw/zinc/86/94/69/824869469.db2.gz OKUYFGHHKFTTLZ-PJSNJIKXSA-N 2 0 266.389 -0.702 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])Cc2cncn2C)C1 ZINC001219640872 824869711 /nfs/dbraw/zinc/86/97/11/824869711.db2.gz CMIUTWXUVXLVAZ-LOWVWBTDSA-N 2 0 279.388 -0.348 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[NH2+]CC[C@@H]2O)C1 ZINC001219642321 824869921 /nfs/dbraw/zinc/86/99/21/824869921.db2.gz RPJPDCXRPCWLSM-QCNOEVLYSA-N 2 0 255.362 -0.681 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)C2=NO[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001219640847 824870106 /nfs/dbraw/zinc/87/01/06/824870106.db2.gz CJENAIRLAXNAEQ-ZRUFSTJUSA-N 2 0 266.345 -0.678 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)CC[NH+]2CCN(C)CC2)C1 ZINC001219641596 824870371 /nfs/dbraw/zinc/87/03/71/824870371.db2.gz JIIRFYUZFORWTB-KBPBESRZSA-N 2 0 282.432 -0.014 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219642350 824870412 /nfs/dbraw/zinc/87/04/12/824870412.db2.gz SBJCISYFJGVYCR-MXWKQRLJSA-N 2 0 271.361 -0.371 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001219642546 824870434 /nfs/dbraw/zinc/87/04/34/824870434.db2.gz VDJSYCOOFZJQAX-SCRDCRAPSA-N 2 0 269.389 -0.147 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219642043 824870614 /nfs/dbraw/zinc/87/06/14/824870614.db2.gz OLOBAYFGYWTMET-IEBDPFPHSA-N 2 0 257.334 -0.761 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2C[NH2+]CCC2=O)C1 ZINC001219645354 824871473 /nfs/dbraw/zinc/87/14/73/824871473.db2.gz KTXIHMKNRBMXSI-AXFHLTTASA-N 2 0 253.346 -0.473 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)C2(O)CC[NH+](C)CC2)C1 ZINC001219646391 824871878 /nfs/dbraw/zinc/87/18/78/824871878.db2.gz SJSQOIRNASRBKY-NEPJUHHUSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@]2(N)CCC[NH2+]C2)C1 ZINC001219650384 824872801 /nfs/dbraw/zinc/87/28/01/824872801.db2.gz OMXPVMVJRXKKCM-LOWVWBTDSA-N 2 0 254.378 -0.571 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCN2C)C1 ZINC001219649183 824873306 /nfs/dbraw/zinc/87/33/06/824873306.db2.gz GGNLELFUGVKCMI-YNEHKIRRSA-N 2 0 268.405 -0.406 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001219649948 824873541 /nfs/dbraw/zinc/87/35/41/824873541.db2.gz LWPDONXXUVNWHO-DMDPSCGWSA-N 3 0 268.405 -0.325 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]3CCO[C@@H]32)C1 ZINC001219648985 824873687 /nfs/dbraw/zinc/87/36/87/824873687.db2.gz CVVXJNFIQZUKFC-MRTXSQPYSA-N 2 0 281.400 -0.027 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[NH2+]C[C@@H]3CCO[C@H]32)C1 ZINC001219648984 824873773 /nfs/dbraw/zinc/87/37/73/824873773.db2.gz CVVXJNFIQZUKFC-MEBFFEOJSA-N 2 0 281.400 -0.027 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)c2ncn3c2C[NH2+]CC3)C1 ZINC001219661236 824874053 /nfs/dbraw/zinc/87/40/53/824874053.db2.gz ALKOSKLSGZNBON-MNOVXSKESA-N 2 0 277.372 -0.038 20 0 CBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219651887 824874466 /nfs/dbraw/zinc/87/44/66/824874466.db2.gz YSWRDHNVPSCYLV-BNOWGMLFSA-N 2 0 298.431 -0.018 20 0 CBADRP C[C@@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])C2CCC(O)CC2)C[NH2+]1 ZINC001219684812 824877391 /nfs/dbraw/zinc/87/73/91/824877391.db2.gz SHDTVWSXGIXUGQ-KRDKVTMHSA-N 2 0 269.389 -0.021 20 0 CBADRP C[C@@H]1C[C@@H](CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])C[NH2+]1 ZINC001219684733 824877499 /nfs/dbraw/zinc/87/74/99/824877499.db2.gz RACNUOFHEUEGLS-UTUOFQBUSA-N 3 0 256.394 -0.053 20 0 CBADRP [NH3+][C@@H](Cc1ccsc1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219695837 824880857 /nfs/dbraw/zinc/88/08/57/824880857.db2.gz ZORDRRSNPZEYBF-JTQLQIEISA-N 2 0 269.370 -0.542 20 0 CBADRP [NH3+][C@H](C(=O)NCCC1(O)C[NH2+]C1)C1CCCCC1 ZINC001219697293 824881700 /nfs/dbraw/zinc/88/17/00/824881700.db2.gz RBCMLLNNRXZCNY-NSHDSACASA-N 2 0 255.362 -0.265 20 0 CBADRP O=C(NCCC1(O)C[NH2+]C1)[C@@H]1CC[C@@H](C(F)(F)F)C[NH2+]1 ZINC001219697856 824882421 /nfs/dbraw/zinc/88/24/21/824882421.db2.gz ZGZNDBBRSTXZCB-BDAKNGLRSA-N 2 0 295.305 -0.243 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219705683 824883306 /nfs/dbraw/zinc/88/33/06/824883306.db2.gz NRRCFGDVKHAXBC-ZDUSSCGKSA-N 2 0 262.357 -0.375 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)NCc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001219705885 824883487 /nfs/dbraw/zinc/88/34/87/824883487.db2.gz SBJTZBJMARONSA-KGLIPLIRSA-N 2 0 274.368 -0.362 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@H]1C[C@@H](c2ccccc2)CC[NH2+]1 ZINC001219714178 824884459 /nfs/dbraw/zinc/88/44/59/824884459.db2.gz GWEFTPVMPRPOCS-GBJTYRQASA-N 2 0 289.379 -0.029 20 0 CBADRP [NH3+][C@@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1O)C12CC3CC(CC(C3)C1)C2 ZINC001219714740 824884672 /nfs/dbraw/zinc/88/46/72/824884672.db2.gz WZPPSDLFXAQEBY-LZIABTKCSA-N 2 0 293.411 -0.021 20 0 CBADRP C[NH2+][C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1O)[C@@H](C)OC(C)(C)C ZINC001219712608 824884781 /nfs/dbraw/zinc/88/47/81/824884781.db2.gz RPXWBKAVAYAEMM-DBIOUOCHSA-N 2 0 273.377 -0.773 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1C[NH2+]C[C@H](c2ccccc2)C1 ZINC001219714712 824885451 /nfs/dbraw/zinc/88/54/51/824885451.db2.gz VHVFHNVNTDSYHM-LXTVHRRPSA-N 2 0 289.379 -0.171 20 0 CBADRP Nc1nc(=O)c2ccccc2n1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219717962 824885598 /nfs/dbraw/zinc/88/55/98/824885598.db2.gz ACNUHCASKXSPFN-SNVBAGLBSA-N 2 0 299.334 -0.329 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219719959 824886706 /nfs/dbraw/zinc/88/67/06/824886706.db2.gz BGXSLJHCOZQZQY-SDDRHHMPSA-N 3 0 272.393 -0.676 20 0 CBADRP [NH3+][C@H](Cc1cccc(O)c1)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720863 824886574 /nfs/dbraw/zinc/88/65/74/824886574.db2.gz TXJWXMFBBSXKMF-GRYCIOLGSA-N 2 0 265.313 -0.896 20 0 CBADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001219721005 824886871 /nfs/dbraw/zinc/88/68/71/824886871.db2.gz XQDLSRMNAYAFRJ-FMSGJZPZSA-N 2 0 283.372 -0.623 20 0 CBADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CC[NH2+]C[C@H]1F ZINC001219739216 824888000 /nfs/dbraw/zinc/88/80/00/824888000.db2.gz JJRLXFFSYABHHU-GARJFASQSA-N 2 0 271.336 -0.571 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741497 824888131 /nfs/dbraw/zinc/88/81/31/824888131.db2.gz MBBJOENPRBWKPQ-VXGBXAGGSA-N 3 0 284.404 -0.530 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219736742 824888753 /nfs/dbraw/zinc/88/87/53/824888753.db2.gz GKTGSGLMOBKWAW-TUAOUCFPSA-N 2 0 267.373 -0.131 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219736982 824888782 /nfs/dbraw/zinc/88/87/82/824888782.db2.gz LVRJJQQRYZFLEP-STQMWFEESA-N 3 0 298.431 -0.460 20 0 CBADRP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219743672 824889392 /nfs/dbraw/zinc/88/93/92/824889392.db2.gz JLPDMEVPOBIGTA-TUAOUCFPSA-N 2 0 283.372 -0.873 20 0 CBADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219750274 824889447 /nfs/dbraw/zinc/88/94/47/824889447.db2.gz ZTFKYHWPXZPFRO-MNOVXSKESA-N 2 0 292.387 -0.224 20 0 CBADRP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219768417 824890892 /nfs/dbraw/zinc/89/08/92/824890892.db2.gz MMHXHGFIGFPXNK-WXHSDQCUSA-N 2 0 270.352 -0.854 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219767636 824891699 /nfs/dbraw/zinc/89/16/99/824891699.db2.gz ASPNIIIMVUSVPO-CMPLNLGQSA-N 3 0 260.357 -0.349 20 0 CBADRP [NH3+][C@@H](C(=O)NC[C@]1(F)CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001219767635 824892063 /nfs/dbraw/zinc/89/20/63/824892063.db2.gz AOSGZZHUFNBOPX-YPMHNXCESA-N 3 0 272.368 -0.479 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219767718 824892225 /nfs/dbraw/zinc/89/22/25/824892225.db2.gz CRNLDFCRTKPFNG-PWSUYJOCSA-N 2 0 269.324 -0.513 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219774820 824893043 /nfs/dbraw/zinc/89/30/43/824893043.db2.gz DPLWPFDAYGMYRE-FRRDWIJNSA-N 2 0 279.384 -0.131 20 0 CBADRP CN(CC(=O)NC1CC2(C1)CC[NH2+]CC2)C(N)=[NH2+] ZINC001219773028 824893324 /nfs/dbraw/zinc/89/33/24/824893324.db2.gz JSFFXUHONFDCBK-UHFFFAOYSA-N 2 0 253.350 -0.540 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219774763 824893451 /nfs/dbraw/zinc/89/34/51/824893451.db2.gz CIAKTOUZLHMVPJ-WCFLWFBJSA-N 2 0 278.400 -0.415 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777336 824893870 /nfs/dbraw/zinc/89/38/70/824893870.db2.gz GZMGKBSKIBIUDJ-WLRWDXFRSA-N 2 0 287.429 -0.269 20 0 CBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219773107 824894040 /nfs/dbraw/zinc/89/40/40/824894040.db2.gz LSJLGICTFNTLBC-NSHDSACASA-N 2 0 297.403 -0.589 20 0 CBADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001219799667 824895693 /nfs/dbraw/zinc/89/56/93/824895693.db2.gz AJTLQIZPOMKNRS-WOPDTQHZSA-N 2 0 285.363 -0.039 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O)C1CC1 ZINC001219803904 824896171 /nfs/dbraw/zinc/89/61/71/824896171.db2.gz HNPMIRLTHZHCRI-HZSPNIEDSA-N 2 0 281.400 -0.102 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800424 824896196 /nfs/dbraw/zinc/89/61/96/824896196.db2.gz JRIHUGLTXPMTIL-RYUDHWBXSA-N 2 0 283.372 -0.750 20 0 CBADRP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O)C1CC1 ZINC001219803905 824896351 /nfs/dbraw/zinc/89/63/51/824896351.db2.gz HNPMIRLTHZHCRI-RDBSUJKOSA-N 2 0 281.400 -0.102 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813460 824896960 /nfs/dbraw/zinc/89/69/60/824896960.db2.gz VBTIYONFUGMJAS-YDHLFZDLSA-N 3 0 298.431 -0.602 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813240 824897003 /nfs/dbraw/zinc/89/70/03/824897003.db2.gz QMBJBZVPYBMEHT-OBJOEFQTSA-N 2 0 267.373 -0.272 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219816480 824897070 /nfs/dbraw/zinc/89/70/70/824897070.db2.gz MQINPJFZQDBCTJ-BZPMIXESSA-N 2 0 263.341 -0.085 20 0 CBADRP C[C@H]1CC[NH2+][C@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC001219813636 824898577 /nfs/dbraw/zinc/89/85/77/824898577.db2.gz YAJAHYQZQOANTD-MNXVOIDGSA-N 2 0 267.373 -0.273 20 0 CBADRP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219823272 824899025 /nfs/dbraw/zinc/89/90/25/824899025.db2.gz OJXIUMWDVHXBAN-MISXGVKJSA-N 2 0 292.408 -0.040 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831715 824899283 /nfs/dbraw/zinc/89/92/83/824899283.db2.gz VIWFFAAGDBJTLY-XQHKEYJVSA-N 3 0 284.404 -0.674 20 0 CBADRP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@H]1[NH2+]CC[C@H]1O ZINC001219827045 824899692 /nfs/dbraw/zinc/89/96/92/824899692.db2.gz YIFBIOZJZCNWLP-BBBLOLIVSA-N 2 0 267.354 -0.269 20 0 CBADRP N[C@]1(C(=O)N[C@H]2C[NH2+]Cc3ccsc32)CC[NH2+]C1 ZINC001219825334 824899780 /nfs/dbraw/zinc/89/97/80/824899780.db2.gz HOQWNNMMUKLQBD-JOYOIKCWSA-N 2 0 266.370 -0.301 20 0 CBADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1CC[NH2+]C[C@@H]1F ZINC001219831696 824900202 /nfs/dbraw/zinc/90/02/02/824900202.db2.gz UQCGUICDOKFBPH-GCHJQGSQSA-N 2 0 271.336 -0.573 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219836817 824901308 /nfs/dbraw/zinc/90/13/08/824901308.db2.gz FKUBFGVFZQTNDE-GMXVVIOVSA-N 2 0 271.361 -0.908 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CC[NH2+]C1 ZINC001219851743 824902464 /nfs/dbraw/zinc/90/24/64/824902464.db2.gz CPCQSYZZWASOJK-FMSGJZPZSA-N 2 0 267.373 -0.273 20 0 CBADRP [NH3+]Cc1ccccc1C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856538 824902645 /nfs/dbraw/zinc/90/26/45/824902645.db2.gz QQEHKBYJOKEGDI-FRRDWIJNSA-N 2 0 261.325 -0.138 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852748 824902761 /nfs/dbraw/zinc/90/27/61/824902761.db2.gz YKMAAJRYHAJZKQ-AATLWQCWSA-N 2 0 277.315 -0.290 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]C1)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854500 824903141 /nfs/dbraw/zinc/90/31/41/824903141.db2.gz KKCSYTMHBWYAFQ-WISYIIOYSA-N 2 0 253.346 -0.521 20 0 CBADRP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856385 824903273 /nfs/dbraw/zinc/90/32/73/824903273.db2.gz KRRZGMADIBFNMR-LMLFDSFASA-N 2 0 255.362 -0.147 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219851798 824903427 /nfs/dbraw/zinc/90/34/27/824903427.db2.gz FUTPUGMLXJALKQ-ZDEQEGDKSA-N 2 0 299.415 -0.131 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856716 824903444 /nfs/dbraw/zinc/90/34/44/824903444.db2.gz YGSMADGYQJQKFB-ZOBORPQBSA-N 3 0 298.431 -0.415 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)C1CC[NH2+]CC1 ZINC001219851739 824903480 /nfs/dbraw/zinc/90/34/80/824903480.db2.gz COOMWRAMQZTGDV-FQUUOJAGSA-N 3 0 296.415 -0.946 20 0 CBADRP [NH3+][C@@H](C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)C1CC[NH2+]CC1 ZINC001219851740 824903487 /nfs/dbraw/zinc/90/34/87/824903487.db2.gz COOMWRAMQZTGDV-IGQOVBAYSA-N 3 0 296.415 -0.946 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]([NH3+])CCCCNC(=O)c1ccccn1 ZINC001219867914 824905901 /nfs/dbraw/zinc/90/59/01/824905901.db2.gz VIVJFKRJDGJFNY-NSHDSACASA-N 2 0 293.371 -0.616 20 0 CBADRP CCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001219869625 824906222 /nfs/dbraw/zinc/90/62/22/824906222.db2.gz OSVSQQPIBOIPLW-UTUOFQBUSA-N 2 0 257.378 -0.102 20 0 CBADRP [NH3+]CCNC(=O)c1csc(N2CC[NH2+]CC2)n1 ZINC001219874158 824906394 /nfs/dbraw/zinc/90/63/94/824906394.db2.gz BFCCVAUEVYRHOA-UHFFFAOYSA-N 2 0 255.347 -0.759 20 0 CBADRP [NH3+]CCNC(=O)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001219874233 824906639 /nfs/dbraw/zinc/90/66/39/824906639.db2.gz FUILUIPCWDAYOQ-SECBINFHSA-N 2 0 250.302 -0.489 20 0 CBADRP CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219883247 824909412 /nfs/dbraw/zinc/90/94/12/824909412.db2.gz SKXOIVRGRSIRGW-GARJFASQSA-N 2 0 255.362 -0.681 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCc2[nH]c(=O)ccc2C1 ZINC001219890121 824910742 /nfs/dbraw/zinc/91/07/42/824910742.db2.gz FJMFNCWPSDCNNX-GHMZBOCLSA-N 2 0 278.356 -0.173 20 0 CBADRP CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001219891854 824912532 /nfs/dbraw/zinc/91/25/32/824912532.db2.gz ZZVMIKGUWZBRPJ-OBJOEFQTSA-N 2 0 280.372 -0.950 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)C[NH+](C)C ZINC001219916089 824913211 /nfs/dbraw/zinc/91/32/11/824913211.db2.gz JZDHVMNLZAQWHS-NHCYSSNCSA-N 2 0 272.393 -0.458 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001219916022 824913830 /nfs/dbraw/zinc/91/38/30/824913830.db2.gz IEGAWZUCUNLKJK-ONGXEEELSA-N 2 0 253.350 -0.644 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001219916340 824914030 /nfs/dbraw/zinc/91/40/30/824914030.db2.gz RZDJWQSMJXUMLJ-FIQHERPVSA-N 2 0 255.362 -0.180 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@@H](O)COc1ccccc1 ZINC001219918907 824914525 /nfs/dbraw/zinc/91/45/25/824914525.db2.gz TXCBBMNNBUUHFT-OCCSQVGLSA-N 2 0 295.383 -0.001 20 0 CBADRP C[NH+](C)CCCCCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219921275 824915163 /nfs/dbraw/zinc/91/51/63/824915163.db2.gz RBNMCLSUDSNSJK-RWMBFGLXSA-N 2 0 268.405 -0.216 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001219918715 824915619 /nfs/dbraw/zinc/91/56/19/824915619.db2.gz PYKUGCIGNJOTGZ-GXTWGEPZSA-N 2 0 285.388 -0.767 20 0 CBADRP O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1C[NH2+]C[C@H]1O ZINC001219954158 824920913 /nfs/dbraw/zinc/92/09/13/824920913.db2.gz FCRMRCFOSGMHMZ-CHWSQXEVSA-N 2 0 269.389 -0.005 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC(=O)N1 ZINC001219959331 824922151 /nfs/dbraw/zinc/92/21/51/824922151.db2.gz QUSXUVUHYAXVGN-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1 ZINC001219954755 824922208 /nfs/dbraw/zinc/92/22/08/824922208.db2.gz QIOGAHHCMLMCEF-ZDUSSCGKSA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC(=O)N1 ZINC001219959332 824922292 /nfs/dbraw/zinc/92/22/92/824922292.db2.gz QUSXUVUHYAXVGN-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP NC(=O)c1ccc(CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)cc1 ZINC001219961127 824922590 /nfs/dbraw/zinc/92/25/90/824922590.db2.gz GAOMKSRUUXDXJN-CYBMUJFWSA-N 2 0 290.367 -0.271 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCCCO1 ZINC001219978116 824927139 /nfs/dbraw/zinc/92/71/39/824927139.db2.gz DBOGGLIMGXCHJD-QWHCGFSZSA-N 2 0 284.404 -0.578 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@@H]1CCCCO1 ZINC001219978389 824927358 /nfs/dbraw/zinc/92/73/58/824927358.db2.gz LXNQYPQCIMPOAX-UWVGGRQHSA-N 2 0 261.391 -0.309 20 0 CBADRP O=C(NC[C@H]1CCCCO1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219978726 824927961 /nfs/dbraw/zinc/92/79/61/824927961.db2.gz QYVJBDAMOXULHM-YRGRVCCFSA-N 2 0 267.373 -0.129 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]([NH3+])CC[S@](C)=O)C1 ZINC001219980878 824929648 /nfs/dbraw/zinc/92/96/48/824929648.db2.gz PYLLZMIRMKNSQT-ZKTNFTSUSA-N 2 0 289.445 -0.070 20 0 CBADRP COC(=O)C1(NC(=O)C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001220001074 824931412 /nfs/dbraw/zinc/93/14/12/824931412.db2.gz GTLCUBOEPPFDNA-UHFFFAOYSA-N 2 0 269.345 -0.603 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCc1cncnc1 ZINC001220007374 824932742 /nfs/dbraw/zinc/93/27/42/824932742.db2.gz NJCPLERVOUBVKE-NSHDSACASA-N 2 0 251.334 -0.061 20 0 CBADRP CN1C[C@@H](NC(=O)C[C@@H]([NH3+])CCCC[NH3+])CCC1=O ZINC001220007171 824933243 /nfs/dbraw/zinc/93/32/43/824933243.db2.gz JVEGXHUMCDQHIN-QWRGUYRKSA-N 2 0 270.377 -0.430 20 0 CBADRP CC(C)[C@](C)(NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(N)=O ZINC001220023470 824938068 /nfs/dbraw/zinc/93/80/68/824938068.db2.gz ZPRVEELSZDCVHP-FZMZJTMJSA-N 2 0 296.415 -0.123 20 0 CBADRP CC(C)[C@](C)(NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(N)=O ZINC001220023448 824938294 /nfs/dbraw/zinc/93/82/94/824938294.db2.gz ZBZFXFZMWKQYIJ-CABZTGNLSA-N 2 0 258.366 -0.541 20 0 CBADRP CC(C)[C@](C)(NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(N)=O ZINC001220023471 824938468 /nfs/dbraw/zinc/93/84/68/824938468.db2.gz ZPRVEELSZDCVHP-RISCZKNCSA-N 2 0 296.415 -0.123 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001220043114 824941636 /nfs/dbraw/zinc/94/16/36/824941636.db2.gz FVJPADIVRKCQJW-NSHDSACASA-N 2 0 289.343 -0.927 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)n1c(C)ncc(C[NH3+])c1=N ZINC001220043293 824941681 /nfs/dbraw/zinc/94/16/81/824941681.db2.gz MVLOIHVOIIMPJE-NSHDSACASA-N 3 0 280.376 -0.513 20 0 CBADRP COc1ncnc(OC)c1CNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220044868 824941684 /nfs/dbraw/zinc/94/16/84/824941684.db2.gz CGEYLXMBFVHFAI-JTQLQIEISA-N 2 0 297.359 -0.434 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001220043059 824941839 /nfs/dbraw/zinc/94/18/39/824941839.db2.gz CXICPQJBBBUWIU-UWVGGRQHSA-N 2 0 267.308 -0.283 20 0 CBADRP COc1ncnc(OC)c1CNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220045076 824942285 /nfs/dbraw/zinc/94/22/85/824942285.db2.gz LDACTTHITLOHTG-SECBINFHSA-N 2 0 283.332 -0.824 20 0 CBADRP N=c1cc(C[NH3+])ccn1C(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220045363 824943861 /nfs/dbraw/zinc/94/38/61/824943861.db2.gz XEBIVGYQTRKCPA-GWCFXTLKSA-N 2 0 261.329 -0.982 20 0 CBADRP C[NH2+]CCNC(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001220053197 824945106 /nfs/dbraw/zinc/94/51/06/824945106.db2.gz YTQKCFVLXGYQNX-AAEUAGOBSA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH2+]CCNC(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C ZINC001220054846 824946607 /nfs/dbraw/zinc/94/66/07/824946607.db2.gz VRZQAEOVCVBQMP-SECBINFHSA-N 2 0 259.350 -0.229 20 0 CBADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CNCC[NH3+] ZINC001220061654 824947282 /nfs/dbraw/zinc/94/72/82/824947282.db2.gz BIOOFEAUXSUDDN-GFCCVEGCSA-N 2 0 256.394 -0.085 20 0 CBADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001220062226 824947418 /nfs/dbraw/zinc/94/74/18/824947418.db2.gz QUNQKTRADRBZBK-AGIUHOORSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH2+]CCCCNC(=O)[C@H](CCCC[NH3+])NC(C)=O ZINC001220077330 824951589 /nfs/dbraw/zinc/95/15/89/824951589.db2.gz GFYGFWGMKLAIDE-LBPRGKRZSA-N 2 0 272.393 -0.264 20 0 CBADRP C[NH2+]CCCCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220077497 824951950 /nfs/dbraw/zinc/95/19/50/824951950.db2.gz MHCKRVNUAWAWMZ-LBPRGKRZSA-N 3 0 268.405 -0.024 20 0 CBADRP Cc1ncc(CO)c(CNC(=O)[C@@H]([NH3+])CCC[NH3+])c1O ZINC001220092848 824953102 /nfs/dbraw/zinc/95/31/02/824953102.db2.gz GINGKZXFMOBLMT-NSHDSACASA-N 2 0 282.344 -0.730 20 0 CBADRP C[C@H]1CC[NH2+][C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001220101237 824954224 /nfs/dbraw/zinc/95/42/24/824954224.db2.gz FBMYNGXWIOTNTP-VHSXEESVSA-N 3 0 255.366 -0.165 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H](N)CC1CCC1 ZINC001220103583 824954844 /nfs/dbraw/zinc/95/48/44/824954844.db2.gz XSMJXYIIHYFNDA-JTQLQIEISA-N 2 0 255.366 -0.035 20 0 CBADRP O=C(N[C@@H]1CCC[C@@H]1O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220099410 824955524 /nfs/dbraw/zinc/95/55/24/824955524.db2.gz LSWDOBOCYLKDBW-HNCHTBHHSA-N 2 0 253.346 -0.785 20 0 CBADRP N=C(NC(=O)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1)SCC[NH3+] ZINC001220106694 824957214 /nfs/dbraw/zinc/95/72/14/824957214.db2.gz YCVZDLHEQZSAIB-QWRGUYRKSA-N 2 0 299.444 -0.197 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@@H](O)c1ccc(O)cc1 ZINC001220113006 824958902 /nfs/dbraw/zinc/95/89/02/824958902.db2.gz HTECABZSKLZLLE-VXGBXAGGSA-N 2 0 267.329 -0.392 20 0 CBADRP CO[C@@H]1COCC[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220140909 824965042 /nfs/dbraw/zinc/96/50/42/824965042.db2.gz DANRQLLWLSESCV-HKUMRIAESA-N 2 0 283.372 -0.894 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CCCC[NH3+])[C@H](C)OC1 ZINC001220138808 824965414 /nfs/dbraw/zinc/96/54/14/824965414.db2.gz HGZGHXCNCBNRTL-ONGXEEELSA-N 2 0 299.371 -0.205 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC001220149858 824968915 /nfs/dbraw/zinc/96/89/15/824968915.db2.gz GIHCTIIQGXUMRT-AXFHLTTASA-N 2 0 268.361 -0.820 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC1CC(CO)(CO)C1 ZINC001220151826 824969243 /nfs/dbraw/zinc/96/92/43/824969243.db2.gz IXAKCDXOUJVELS-LBPRGKRZSA-N 2 0 287.404 -0.705 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1cc[nH]c(=O)c1 ZINC001220148194 824969581 /nfs/dbraw/zinc/96/95/81/824969581.db2.gz PRJSEPLAGNLLDX-LBPRGKRZSA-N 2 0 293.371 -0.846 20 0 CBADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)NC1(C[NH3+])COC1 ZINC001220153983 824971111 /nfs/dbraw/zinc/97/11/11/824971111.db2.gz GQXKBNWICKJCBX-SECBINFHSA-N 2 0 287.360 -0.721 20 0 CBADRP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)NC1(C[NH3+])COC1 ZINC001220153970 824971440 /nfs/dbraw/zinc/97/14/40/824971440.db2.gz GFOOZLJLTRSLPI-RKDXNWHRSA-N 2 0 259.350 -0.639 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001220157066 824973419 /nfs/dbraw/zinc/97/34/19/824973419.db2.gz WDBYCDDSQLRLDB-MDZLAQPJSA-N 2 0 252.362 -0.852 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220159451 824974386 /nfs/dbraw/zinc/97/43/86/824974386.db2.gz ORCNFXKZBROSTJ-OBJOEFQTSA-N 2 0 283.372 -0.085 20 0 CBADRP N=C(NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)c1ccc(F)cn1 ZINC001220170251 824975969 /nfs/dbraw/zinc/97/59/69/824975969.db2.gz FGNGYELLZXIBRI-LLVKDONJSA-N 2 0 279.319 -0.011 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC1(CCO)COC1 ZINC001220173781 824977238 /nfs/dbraw/zinc/97/72/38/824977238.db2.gz SYQZLABMDUTMTK-JTQLQIEISA-N 2 0 259.350 -0.900 20 0 CBADRP O=C(NCC1CC(=O)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220176057 824977444 /nfs/dbraw/zinc/97/74/44/824977444.db2.gz DBCBELBSLGBVQG-ZWNOBZJWSA-N 2 0 251.330 -0.719 20 0 CBADRP Cn1ccc(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])cc1=O ZINC001220179151 824978843 /nfs/dbraw/zinc/97/88/43/824978843.db2.gz FPJLQELIABGZJK-JTQLQIEISA-N 2 0 284.385 -0.979 20 0 CBADRP C[C@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)c1cncnc1 ZINC001220183198 824980612 /nfs/dbraw/zinc/98/06/12/824980612.db2.gz HWKVOGRHROJLLG-GXFFZTMASA-N 2 0 292.387 -0.596 20 0 CBADRP C[C@@H](NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)c1cncnc1 ZINC001220183096 824980828 /nfs/dbraw/zinc/98/08/28/824980828.db2.gz DUYIRIDZKLSULY-BXKDBHETSA-N 2 0 263.345 -0.019 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC(=N)c1ncc[nH]1 ZINC001220181557 824981105 /nfs/dbraw/zinc/98/11/05/824981105.db2.gz TYFPLFCUCCQJMM-VIFPVBQESA-N 2 0 266.349 -0.090 20 0 CBADRP C[C@@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1cncnc1 ZINC001220183689 824981526 /nfs/dbraw/zinc/98/15/26/824981526.db2.gz XARMDOIKBXOQTI-MWLCHTKSSA-N 2 0 261.329 -0.537 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)NC[C@H]1CCNCC1(F)F ZINC001220189065 824982523 /nfs/dbraw/zinc/98/25/23/824982523.db2.gz LBIACAQCHLCDLF-SECBINFHSA-N 2 0 264.320 -0.714 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@H]1CCNCC1(F)F ZINC001220187006 824982610 /nfs/dbraw/zinc/98/26/10/824982610.db2.gz XDEQRGMJMPKXQA-BDAKNGLRSA-N 2 0 264.320 -0.586 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@@H]1CCNCC1(F)F)C1CC[NH2+]CC1 ZINC001220187154 824983195 /nfs/dbraw/zinc/98/31/95/824983195.db2.gz ZQMAXRBLGSBCOE-QWRGUYRKSA-N 2 0 290.358 -0.326 20 0 CBADRP CC1(C)C[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)O1 ZINC001220200260 824984325 /nfs/dbraw/zinc/98/43/25/824984325.db2.gz FRILQGICYDSSGG-UHIISALHSA-N 2 0 267.373 -0.131 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@@]2(N)CCC[NH2+]C2)CC1 ZINC001220200413 824985333 /nfs/dbraw/zinc/98/53/33/824985333.db2.gz JQQCHHVHJWASTF-OAHLLOKOSA-N 2 0 298.431 -0.316 20 0 CBADRP [NH3+][C@H](C(=O)NC1(c2cccnn2)CC1)C1CC[NH2+]CC1 ZINC001220210005 824987437 /nfs/dbraw/zinc/98/74/37/824987437.db2.gz MYGDXBWWJDXXDL-LBPRGKRZSA-N 2 0 275.356 -0.091 20 0 CBADRP CC(C)(C)[C@H](CO)NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220217185 824988152 /nfs/dbraw/zinc/98/81/52/824988152.db2.gz OTPOKGGTHFTAPX-WDEREUQCSA-N 2 0 257.378 -0.164 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220220909 824989435 /nfs/dbraw/zinc/98/94/35/824989435.db2.gz KJNNIQQEIGDQRD-AVGNSLFASA-N 2 0 296.415 -0.075 20 0 CBADRP CCOCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234009 824990804 /nfs/dbraw/zinc/99/08/04/824990804.db2.gz PTGRRAKHQHYOLJ-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230490 824991175 /nfs/dbraw/zinc/99/11/75/824991175.db2.gz HMLCEBUWGMWWGW-XQQFMLRXSA-N 2 0 299.415 -0.476 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001220232243 824991229 /nfs/dbraw/zinc/99/12/29/824991229.db2.gz LFCPWKILBZURJO-NEPJUHHUSA-N 2 0 275.368 -0.151 20 0 CBADRP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237366 824991728 /nfs/dbraw/zinc/99/17/28/824991728.db2.gz UTTTZWRGNLCLJX-UPJWGTAASA-N 2 0 287.404 -0.476 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCc1cnccn1 ZINC001220242575 824993100 /nfs/dbraw/zinc/99/31/00/824993100.db2.gz DJDLQXLKZAZNIW-JTQLQIEISA-N 2 0 269.374 -0.846 20 0 CBADRP O=C(NCc1nc[nH]n1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220250406 824994079 /nfs/dbraw/zinc/99/40/79/824994079.db2.gz ZQBBOLWGIUVOIW-VIFPVBQESA-N 2 0 264.333 -0.705 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220251747 824994446 /nfs/dbraw/zinc/99/44/46/824994446.db2.gz DFHDSGULTSHGOS-WDEREUQCSA-N 2 0 285.392 -0.637 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220252265 824996719 /nfs/dbraw/zinc/99/67/19/824996719.db2.gz UDIBIIWVQKRIQO-VNHYZAJKSA-N 3 0 280.416 -0.214 20 0 CBADRP CC1(C)OCC(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CO1 ZINC001220270750 825000160 /nfs/dbraw/zinc/00/01/60/825000160.db2.gz FFGKVESHHRCZAL-LLVKDONJSA-N 2 0 271.361 -0.419 20 0 CBADRP CC(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273991 825001277 /nfs/dbraw/zinc/00/12/77/825001277.db2.gz ZLKJSJVAMSJJKX-NEPJUHHUSA-N 2 0 257.378 -0.245 20 0 CBADRP Cn1cc(CCNC(=O)C[C@@H]([NH3+])CCCC[NH3+])cn1 ZINC001220276802 825002905 /nfs/dbraw/zinc/00/29/05/825002905.db2.gz RFBTXDFNRSDYDJ-LBPRGKRZSA-N 2 0 267.377 -0.075 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001220275072 825002996 /nfs/dbraw/zinc/00/29/96/825002996.db2.gz OAMRAVORMHWTLI-MJBXVCDLSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001220276499 825004044 /nfs/dbraw/zinc/00/40/44/825004044.db2.gz CRJZWEHRGOIQAW-OLZOCXBDSA-N 2 0 269.389 -0.101 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001220282819 825005611 /nfs/dbraw/zinc/00/56/11/825005611.db2.gz NWASUNZSHUQLQT-RWMBFGLXSA-N 2 0 266.389 -0.462 20 0 CBADRP C[N@@H+]1CCCN(CCNC(=O)[C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001220306810 825010239 /nfs/dbraw/zinc/01/02/39/825010239.db2.gz OXWHHHNOERDTFC-OLZOCXBDSA-N 2 0 286.395 -0.312 20 0 CBADRP C[N@@H+]1CCCN(CCNC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)CC1 ZINC001220303810 825010262 /nfs/dbraw/zinc/01/02/62/825010262.db2.gz DWHMSGTYJGAKJB-ZDUSSCGKSA-N 2 0 294.403 -0.967 20 0 CBADRP C[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1cnn(C)c1 ZINC001220309011 825012275 /nfs/dbraw/zinc/01/22/75/825012275.db2.gz SHOPDJMQQHWQQV-WPRPVWTQSA-N 2 0 271.390 -0.384 20 0 CBADRP N[C@]1(C(=O)NCc2ncn3c2C[NH2+]CCC3)CCC[NH2+]C1 ZINC001220310424 825012290 /nfs/dbraw/zinc/01/22/90/825012290.db2.gz AHICDWRNJDKBRE-CQSZACIVSA-N 2 0 292.387 -0.927 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220319450 825013550 /nfs/dbraw/zinc/01/35/50/825013550.db2.gz GNMFIMVSFGZIRS-GZBFAFLISA-N 3 0 298.431 -0.140 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316172 825013591 /nfs/dbraw/zinc/01/35/91/825013591.db2.gz MWERMXUBNRJTQK-GVXVVHGQSA-N 3 0 270.377 -0.920 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315454 825013849 /nfs/dbraw/zinc/01/38/49/825013849.db2.gz CQLIGLYQUYVUMC-SGMGOOAPSA-N 3 0 284.404 -0.530 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220317509 825014197 /nfs/dbraw/zinc/01/41/97/825014197.db2.gz ZFQJOOZUJYULFX-KCQAQPDRSA-N 3 0 298.431 -0.269 20 0 CBADRP Cc1cc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)n(N)c(=O)c1 ZINC001220323411 825015907 /nfs/dbraw/zinc/01/59/07/825015907.db2.gz GEPBYEQPWBVAAT-GFCCVEGCSA-N 2 0 279.344 -0.864 20 0 CBADRP O=C(N[C@@H]1CC12CCOCC2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220329356 825016704 /nfs/dbraw/zinc/01/67/04/825016704.db2.gz NHGSLONAQRIIJR-LALPHHSUSA-N 2 0 279.384 -0.129 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001220333309 825017125 /nfs/dbraw/zinc/01/71/25/825017125.db2.gz TUNSOKLAWKEBHR-UPJWGTAASA-N 2 0 268.405 -0.088 20 0 CBADRP CCOC(=O)C1(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCC1 ZINC001220370763 825021797 /nfs/dbraw/zinc/02/17/97/825021797.db2.gz CCVZUSFSEYCAEF-LLVKDONJSA-N 2 0 295.383 -0.355 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1cnccn1 ZINC001220368887 825021962 /nfs/dbraw/zinc/02/19/62/825021962.db2.gz OPOQFTRAYUPVDB-ZJUUUORDSA-N 2 0 261.329 -0.537 20 0 CBADRP O=C(NCc1ccc(Cl)nn1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220368670 825021970 /nfs/dbraw/zinc/02/19/70/825021970.db2.gz JYWKYELMVRCKOL-SECBINFHSA-N 2 0 281.747 -0.445 20 0 CBADRP [NH3+]Cc1ccc2c(n1)N(C(=O)[C@H]1[NH2+]CC[C@@H]1O)CCC2 ZINC001220377458 825024966 /nfs/dbraw/zinc/02/49/66/825024966.db2.gz YSDCZYNRRIAQOS-RYUDHWBXSA-N 2 0 276.340 -0.458 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1O)[NH+](C)C ZINC001220377951 825025162 /nfs/dbraw/zinc/02/51/62/825025162.db2.gz UZTQWZIBURHFBF-WOPDTQHZSA-N 2 0 273.377 -0.866 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCOC)C[C@@H]1O)[NH+](C)C ZINC001220377564 825025712 /nfs/dbraw/zinc/02/57/12/825025712.db2.gz DBNIPPJWEVFVDA-AGIUHOORSA-N 2 0 287.404 -0.476 20 0 CBADRP C[NH+](C)CCC(C)(C)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220385938 825027463 /nfs/dbraw/zinc/02/74/63/825027463.db2.gz DRUHTXGLDPDAAW-JTQLQIEISA-N 3 0 276.450 -0.148 20 0 CBADRP N[C@@]1(C(=O)NCC23CC[NH+](CC2)CC3)CCC[NH2+]C1 ZINC001220395004 825028011 /nfs/dbraw/zinc/02/80/11/825028011.db2.gz RIJZFQJBISPPGF-AWEZNQCLSA-N 2 0 266.389 -0.331 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394261 825028358 /nfs/dbraw/zinc/02/83/58/825028358.db2.gz BMRDTLVNCSKHCM-LBPRGKRZSA-N 2 0 277.372 -0.118 20 0 CBADRP O=C(NCC12CC[NH+](CC1)CC2)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220394644 825028477 /nfs/dbraw/zinc/02/84/77/825028477.db2.gz KPXRQJSABLCQRG-LBPRGKRZSA-N 3 0 278.400 -0.603 20 0 CBADRP NC1(C(=O)NCC23CC[NH+](CC2)CC3)CC[NH2+]CC1 ZINC001220395152 825028814 /nfs/dbraw/zinc/02/88/14/825028814.db2.gz YKTGCULOBYYRCK-UHFFFAOYSA-N 2 0 266.389 -0.331 20 0 CBADRP O=C(NCC12CC[NH+](CC1)CC2)[C@H]1[NH2+]CC[C@H]1O ZINC001220394819 825028842 /nfs/dbraw/zinc/02/88/42/825028842.db2.gz NMXJYWFMRIOLDO-MNOVXSKESA-N 2 0 253.346 -0.689 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001220406758 825033521 /nfs/dbraw/zinc/03/35/21/825033521.db2.gz WOKHWNFMYYQKJI-BBBLOLIVSA-N 2 0 289.401 -0.537 20 0 CBADRP CNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220418898 825034748 /nfs/dbraw/zinc/03/47/48/825034748.db2.gz UVNNJSLNUKCHHJ-UWVGGRQHSA-N 2 0 258.366 -0.704 20 0 CBADRP CNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001220418941 825035357 /nfs/dbraw/zinc/03/53/57/825035357.db2.gz WCYRZMCBNUVVCQ-QWRGUYRKSA-N 2 0 272.393 -0.267 20 0 CBADRP [NH3+][C@H](Cc1cccc(O)c1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220429711 825037866 /nfs/dbraw/zinc/03/78/66/825037866.db2.gz XVLAZFMZKCGIPZ-DGCLKSJQSA-N 2 0 279.340 -0.633 20 0 CBADRP C[NH2+]CCC(=O)NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481290 825046032 /nfs/dbraw/zinc/04/60/32/825046032.db2.gz CGOYUFZGRLBKCU-FOGDFJRCSA-N 2 0 259.350 -0.563 20 0 CBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2CCC[C@H]2[NH3+])O1 ZINC001220481466 825046228 /nfs/dbraw/zinc/04/62/28/825046228.db2.gz IBLNJZSRHQZXIC-SKENRDBWSA-N 2 0 285.388 -0.045 20 0 CBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C2CC3(C[NH2+]C3)C2)O1 ZINC001220481540 825048637 /nfs/dbraw/zinc/04/86/37/825048637.db2.gz JYHUULHQJGQRTP-YRGRVCCFSA-N 2 0 297.399 -0.173 20 0 CBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)O1 ZINC001220481705 825048943 /nfs/dbraw/zinc/04/89/43/825048943.db2.gz NSMQZEFSLWKGGT-HAYRHPOISA-N 2 0 295.330 -0.190 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCC1([NH3+])CCCC1 ZINC001220497067 825050585 /nfs/dbraw/zinc/05/05/85/825050585.db2.gz JGXXTQFZWGNFHO-LBPRGKRZSA-N 3 0 283.420 -0.876 20 0 CBADRP COC(C)(CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)OC ZINC001220508879 825052112 /nfs/dbraw/zinc/05/21/12/825052112.db2.gz BLKPXKLNCWTNDV-SNVBAGLBSA-N 2 0 259.350 -0.562 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)NCCOCCOCC[NH3+] ZINC001220519095 825053177 /nfs/dbraw/zinc/05/31/77/825053177.db2.gz ATBZTKWVYCUXNC-LBPRGKRZSA-N 2 0 275.393 -0.271 20 0 CBADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCOCCOCC[NH3+] ZINC001220519407 825053487 /nfs/dbraw/zinc/05/34/87/825053487.db2.gz NCHKXMPRXXWLEJ-NEPJUHHUSA-N 2 0 273.377 -0.517 20 0 CBADRP [NH3+]CCOCCOCCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC001220519736 825054058 /nfs/dbraw/zinc/05/40/58/825054058.db2.gz ZYLOLKNMIYYHML-ZDUSSCGKSA-N 2 0 281.356 -0.206 20 0 CBADRP [NH3+]CCOCCOCCNC(=O)[C@@H]([NH3+])CC(F)F ZINC001220519491 825054745 /nfs/dbraw/zinc/05/47/45/825054745.db2.gz QCRZRAWHOSJBSI-QMMMGPOBSA-N 2 0 269.292 -0.923 20 0 CBADRP O=C(NCc1nccc(Cl)n1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220529842 825058814 /nfs/dbraw/zinc/05/88/14/825058814.db2.gz JIUWTCLLXFHAIA-MRVPVSSYSA-N 2 0 281.747 -0.445 20 0 CBADRP C[C@H]1COCC[C@@H]1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220565911 825063276 /nfs/dbraw/zinc/06/32/76/825063276.db2.gz UXAFDLAYLDPAIX-GUBZILKMSA-N 2 0 261.391 -0.453 20 0 CBADRP C[C@@H]1COCC[C@H]1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220566120 825063781 /nfs/dbraw/zinc/06/37/81/825063781.db2.gz ZSTBJXRFJWYEMB-YUSALJHKSA-N 2 0 255.362 -0.146 20 0 CBADRP C[C@@H]1COCC[C@H]1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220566118 825063832 /nfs/dbraw/zinc/06/38/32/825063832.db2.gz ZSTBJXRFJWYEMB-JLLWLGSASA-N 2 0 255.362 -0.146 20 0 CBADRP CC(C)(O)CCCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220575402 825068165 /nfs/dbraw/zinc/06/81/65/825068165.db2.gz HQSBTGZKEGKKIQ-GFCCVEGCSA-N 2 0 286.420 -0.596 20 0 CBADRP CC(C)(O)CCCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220573627 825068488 /nfs/dbraw/zinc/06/84/88/825068488.db2.gz QLMNKRDPPIVVAK-LLVKDONJSA-N 2 0 257.378 -0.019 20 0 CBADRP CC(C)(O)CCCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220573628 825068975 /nfs/dbraw/zinc/06/89/75/825068975.db2.gz QLMNKRDPPIVVAK-NSHDSACASA-N 2 0 257.378 -0.019 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220585819 825070653 /nfs/dbraw/zinc/07/06/53/825070653.db2.gz ZIJFTEBBUSABJL-NSHDSACASA-N 3 0 288.392 -0.817 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC001220582968 825070729 /nfs/dbraw/zinc/07/07/29/825070729.db2.gz ALCOAMUJDAYYBI-GHMZBOCLSA-N 2 0 271.361 -0.275 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H]1CCCN(C)C1=O ZINC001220591263 825073344 /nfs/dbraw/zinc/07/33/44/825073344.db2.gz ZYUWFHIXOVYYHB-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP [NH3+][C@@H](C(=O)N[C@H]1NC(=O)c2ccccc21)C1CC[NH2+]CC1 ZINC001220620180 825077012 /nfs/dbraw/zinc/07/70/12/825077012.db2.gz QEEWFQAWJTYCAA-CHWSQXEVSA-N 2 0 288.351 -0.128 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@@H]1NC(=O)c2ccccc21 ZINC001220619472 825077728 /nfs/dbraw/zinc/07/77/28/825077728.db2.gz IFBGSSZZXIHODY-MNOVXSKESA-N 2 0 262.313 -0.389 20 0 CBADRP O=C(N[C@H]1NC(=O)c2ccccc21)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220620355 825078677 /nfs/dbraw/zinc/07/86/77/825078677.db2.gz SHASYRIAFPYWPL-NWDGAFQWSA-N 2 0 286.335 -0.646 20 0 CBADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1[NH2+]CC[C@@H]1O ZINC001220681180 825084480 /nfs/dbraw/zinc/08/44/80/825084480.db2.gz YPAIUZCGXHVBON-KNZXXDILSA-N 2 0 253.346 -0.502 20 0 CBADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220680827 825084916 /nfs/dbraw/zinc/08/49/16/825084916.db2.gz SIRIANHZYNCVMI-KNZXXDILSA-N 2 0 253.346 -0.502 20 0 CBADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1[NH2+]CC[C@H]1O ZINC001220681179 825084989 /nfs/dbraw/zinc/08/49/89/825084989.db2.gz YPAIUZCGXHVBON-IIRVCBMXSA-N 2 0 253.346 -0.502 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220680655 825085046 /nfs/dbraw/zinc/08/50/46/825085046.db2.gz LWLPEXGPFIEARG-RKUXUEPDSA-N 2 0 287.429 -0.128 20 0 CBADRP O=C(NCC1Oc2ccccc2O1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220708920 825089289 /nfs/dbraw/zinc/08/92/89/825089289.db2.gz LSHLZOKJENGQEM-JTQLQIEISA-N 2 0 289.335 -0.291 20 0 CBADRP [NH3+]Cc1ncccc1NC(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220711695 825091154 /nfs/dbraw/zinc/09/11/54/825091154.db2.gz RBOCTTXKDJAHDY-ZANVPECISA-N 2 0 261.329 -0.570 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1cccnc1C[NH3+] ZINC001220714569 825091370 /nfs/dbraw/zinc/09/13/70/825091370.db2.gz QEOYTOHOYHGTDW-QMMMGPOBSA-N 3 0 269.374 -0.502 20 0 CBADRP [NH3+]Cc1ncccc1NC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001220712352 825092041 /nfs/dbraw/zinc/09/20/41/825092041.db2.gz ZWIRZFYTGRRVHH-JTQLQIEISA-N 2 0 291.355 -0.181 20 0 CBADRP CC(C)(C)NC(=O)CCNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220709498 825092289 /nfs/dbraw/zinc/09/22/89/825092289.db2.gz ZJBJNFNVBLJMKV-VIFPVBQESA-N 2 0 258.366 -0.526 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)Nc1cccnc1C[NH3+] ZINC001220714757 825092488 /nfs/dbraw/zinc/09/24/88/825092488.db2.gz YLGBDHSQKNXXJO-ZANVPECISA-N 2 0 293.371 -0.032 20 0 CBADRP NC(=O)c1ccccc1OCCNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220718688 825094490 /nfs/dbraw/zinc/09/44/90/825094490.db2.gz GGIXMBFNHNGNLB-NSHDSACASA-N 2 0 294.355 -0.653 20 0 CBADRP COCCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755469 825096097 /nfs/dbraw/zinc/09/60/97/825096097.db2.gz PLLRWOZFMDGIRP-MCIONIFRSA-N 2 0 299.415 -0.474 20 0 CBADRP O=C(NC1CCN(c2cc[nH+]cc2)CC1)[C@H]1[NH2+]CC[C@H]1O ZINC001220746352 825096517 /nfs/dbraw/zinc/09/65/17/825096517.db2.gz XDKBLEUTBVARCQ-KGLIPLIRSA-N 2 0 290.367 -0.111 20 0 CBADRP O=C(NCCC1CCC(O)CC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220756691 825097065 /nfs/dbraw/zinc/09/70/65/825097065.db2.gz HTSAGZGFSCCSTO-WXRRBKDZSA-N 2 0 281.400 -0.147 20 0 CBADRP CC1(C)[C@H](O)C[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220766055 825098517 /nfs/dbraw/zinc/09/85/17/825098517.db2.gz KXSPAIJMKFHESB-ZHSDAYTOSA-N 2 0 267.373 -0.539 20 0 CBADRP CCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764472 825099349 /nfs/dbraw/zinc/09/93/49/825099349.db2.gz MEDIFWKQYCBFDC-NEPJUHHUSA-N 2 0 273.377 -0.864 20 0 CBADRP COCCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220770954 825099477 /nfs/dbraw/zinc/09/94/77/825099477.db2.gz BPWAEGVDUCIQTG-OLZOCXBDSA-N 2 0 297.399 -0.720 20 0 CBADRP CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220766052 825099568 /nfs/dbraw/zinc/09/95/68/825099568.db2.gz KXSPAIJMKFHESB-FBKDDSFISA-N 2 0 267.373 -0.539 20 0 CBADRP CC1(C)[C@H](O)C[C@H]1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220766483 825099729 /nfs/dbraw/zinc/09/97/29/825099729.db2.gz TUFPJFSGRJKCLW-IJLUTSLNSA-N 2 0 284.404 -0.988 20 0 CBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O ZINC001220764768 825100240 /nfs/dbraw/zinc/10/02/40/825100240.db2.gz VZPMWXCYHPLYIF-KGLIPLIRSA-N 2 0 299.415 -0.474 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@@H]3COC4(C[NH2+]C4)CN3)(C1)CCC2 ZINC001220777009 825100906 /nfs/dbraw/zinc/10/09/06/825100906.db2.gz CBCFZSLUSZFRHW-FPMFFAJLSA-N 2 0 294.399 -0.763 20 0 CBADRP N[C@]1(C(=O)N[C@]23CC[C@]([NH3+])(C2)CCC3)CC[NH2+]C1 ZINC001220779632 825101287 /nfs/dbraw/zinc/10/12/87/825101287.db2.gz XXKZRJCDUDLMMQ-YNEHKIRRSA-N 2 0 252.362 -0.403 20 0 CBADRP N[C@@]1(C(=O)N[C@]23CC[C@]([NH3+])(C2)CCC3)CC[NH2+]C1 ZINC001220779630 825101596 /nfs/dbraw/zinc/10/15/96/825101596.db2.gz XXKZRJCDUDLMMQ-XQQFMLRXSA-N 2 0 252.362 -0.403 20 0 CBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220775202 825101638 /nfs/dbraw/zinc/10/16/38/825101638.db2.gz MMLISWHNCKFRHT-HONMWMINSA-N 2 0 297.403 -0.318 20 0 CBADRP [NH3+]CCNCC(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220789551 825102059 /nfs/dbraw/zinc/10/20/59/825102059.db2.gz LPDIOJQULSAEPE-TZMCWYRMSA-N 2 0 277.372 -0.603 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)[C@H]1C[NH2+]CCN1 ZINC001220791204 825102140 /nfs/dbraw/zinc/10/21/40/825102140.db2.gz XFDFQWGKGDHXNK-MJBXVCDLSA-N 2 0 289.383 -0.590 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220787973 825102234 /nfs/dbraw/zinc/10/22/34/825102234.db2.gz AAYNOKZFEOVFFE-XDQVBPFNSA-N 2 0 290.367 -0.429 20 0 CBADRP N[C@@H](C[NH3+])C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220788995 825102709 /nfs/dbraw/zinc/10/27/09/825102709.db2.gz IAUOBLUFVLUBCF-WOPDTQHZSA-N 2 0 263.345 -0.866 20 0 CBADRP N[C@]1(C(=O)NC[C@H]2CC[NH2+][C@H]2c2cccnc2)CC[NH2+]C1 ZINC001220789731 825102861 /nfs/dbraw/zinc/10/28/61/825102861.db2.gz MSLIHQWFGVAOOL-VNHYZAJKSA-N 2 0 289.383 -0.461 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220799407 825103249 /nfs/dbraw/zinc/10/32/49/825103249.db2.gz ANJACHUMMMSUHO-CSMHCCOUSA-N 2 0 269.267 -0.647 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220800954 825103951 /nfs/dbraw/zinc/10/39/51/825103951.db2.gz WDJGZTPBCQGYIX-XHNCKOQMSA-N 2 0 297.277 -0.467 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@@H]1C[NH2+]CCN1 ZINC001220803691 825104110 /nfs/dbraw/zinc/10/41/10/825104110.db2.gz KBLOXGRWKGGUFQ-HLTSFMKQSA-N 2 0 280.294 -0.796 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220800641 825104135 /nfs/dbraw/zinc/10/41/35/825104135.db2.gz SLRXOEPTPGJRMR-VGMNWLOBSA-N 3 0 282.310 -0.291 20 0 CBADRP [NH3+]CCNCC(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220803670 825104154 /nfs/dbraw/zinc/10/41/54/825104154.db2.gz JXRGDMIPKSYSEI-SFYZADRCSA-N 2 0 268.283 -0.809 20 0 CBADRP NC1(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)CC[NH2+]CC1 ZINC001220803494 825104736 /nfs/dbraw/zinc/10/47/36/825104736.db2.gz HSRQOLWPMGLWQM-RKDXNWHRSA-N 2 0 294.321 -0.276 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[C@H](C)CC[NH2+]2)C[NH2+]C1 ZINC001220827091 825107427 /nfs/dbraw/zinc/10/74/27/825107427.db2.gz GYBBBLPEIGZOKN-MWLCHTKSSA-N 2 0 281.356 -0.089 20 0 CBADRP CCOC(=O)C1=C(NC(=O)CCCC[NH3+])C[NH2+]C1 ZINC001220826968 825107510 /nfs/dbraw/zinc/10/75/10/825107510.db2.gz DJNBGBBGHWFMCR-UHFFFAOYSA-N 2 0 255.318 -0.348 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]CC2(C)C)C[NH2+]C1 ZINC001220829949 825108009 /nfs/dbraw/zinc/10/80/09/825108009.db2.gz HAGQKGOZGBMMIM-JTQLQIEISA-N 2 0 281.356 -0.231 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]2CCC[N@H+](C)C2)C[NH2+]C1 ZINC001220829939 825108487 /nfs/dbraw/zinc/10/84/87/825108487.db2.gz GUAWWHZIJLLEOL-JTQLQIEISA-N 2 0 281.356 -0.135 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@]2(C)CC[NH2+]C2)C[NH2+]C1 ZINC001220830050 825109356 /nfs/dbraw/zinc/10/93/56/825109356.db2.gz LQSKFCRIFPFJMI-CYBMUJFWSA-N 2 0 267.329 -0.477 20 0 CBADRP CCOC(=O)[C@@H](C)CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220848737 825110925 /nfs/dbraw/zinc/11/09/25/825110925.db2.gz HDNIGPCXUXZMJF-IUCAKERBSA-N 2 0 277.390 -0.679 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001220857793 825113931 /nfs/dbraw/zinc/11/39/31/825113931.db2.gz RYMYIXJRRSNEHN-UWVGGRQHSA-N 2 0 253.350 -0.231 20 0 CBADRP O=C(NCCc1c[nH]c2cc[nH+]cc12)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220865552 825115219 /nfs/dbraw/zinc/11/52/19/825115219.db2.gz AXLPPHZPWABSQF-GWCFXTLKSA-N 2 0 274.324 -0.056 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NCCc1c[nH]c2cc[nH+]cc12 ZINC001220865647 825115466 /nfs/dbraw/zinc/11/54/66/825115466.db2.gz GERPVBHFNXDETR-RYUDHWBXSA-N 2 0 273.340 -0.232 20 0 CBADRP COC(=O)[C@H]1C[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220881574 825118769 /nfs/dbraw/zinc/11/87/69/825118769.db2.gz NBJRMSCMKSBTJO-BBGACYKPSA-N 2 0 281.356 -0.889 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220881577 825118908 /nfs/dbraw/zinc/11/89/08/825118908.db2.gz NBJRMSCMKSBTJO-ZHSDAYTOSA-N 2 0 281.356 -0.889 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1C[NH2+]Cc2ccnn2C1 ZINC001220882606 825120339 /nfs/dbraw/zinc/12/03/39/825120339.db2.gz XFJAEKACNXZSPP-QWRGUYRKSA-N 2 0 263.345 -0.529 20 0 CBADRP [NH3+][C@H](C(=O)N[C@@H]1CCC[NH2+]C1)C1CCC(O)CC1 ZINC001220887056 825121122 /nfs/dbraw/zinc/12/11/22/825121122.db2.gz SQZHIVSROBAPEV-RSJDFQLWSA-N 2 0 255.362 -0.267 20 0 CBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC001220886896 825121260 /nfs/dbraw/zinc/12/12/60/825121260.db2.gz ORWSHHPQPDGSSA-STQMWFEESA-N 2 0 290.367 -0.477 20 0 CBADRP CC(C)(C)[C@H]([NH3+])CC(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220903291 825121994 /nfs/dbraw/zinc/12/19/94/825121994.db2.gz OSIUTWKSYLNDEC-SECBINFHSA-N 2 0 290.368 -0.586 20 0 CBADRP CCC(=O)N1CC[C@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001220907362 825122293 /nfs/dbraw/zinc/12/22/93/825122293.db2.gz OGVSJDZMKSLFAB-UWVGGRQHSA-N 2 0 256.350 -0.820 20 0 CBADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001220901213 825122485 /nfs/dbraw/zinc/12/24/85/825122485.db2.gz TVRSOLJVMCMDOL-VHSXEESVSA-N 2 0 288.352 -0.961 20 0 CBADRP [NH3+]CCN(CCNC(=O)C[C@@H]1CCC[NH2+]C1)N(O)N=O ZINC001220900400 825122501 /nfs/dbraw/zinc/12/25/01/825122501.db2.gz JBUSUVOIFOHMQH-JTQLQIEISA-N 2 0 288.352 -0.959 20 0 CBADRP [NH3+]CCN(CCNC(=O)[C@H]([NH3+])c1ccccc1)N(O)N=O ZINC001220901260 825122516 /nfs/dbraw/zinc/12/25/16/825122516.db2.gz VYXFDZIKBLVCGL-LLVKDONJSA-N 2 0 296.331 -0.649 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001220901211 825122604 /nfs/dbraw/zinc/12/26/04/825122604.db2.gz TVRSOLJVMCMDOL-NXEZZACHSA-N 2 0 288.352 -0.961 20 0 CBADRP CCC(=O)N1CC[C@H](NC(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001220907363 825122706 /nfs/dbraw/zinc/12/27/06/825122706.db2.gz OGVSJDZMKSLFAB-VHSXEESVSA-N 2 0 256.350 -0.820 20 0 CBADRP NC1(C(=O)N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]CC1 ZINC001220929986 825123283 /nfs/dbraw/zinc/12/32/83/825123283.db2.gz IWZZEWZRXDKDLW-HAQNSBGRSA-N 2 0 296.415 -0.435 20 0 CBADRP N[C@@H](C[NH3+])C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001220926459 825123568 /nfs/dbraw/zinc/12/35/68/825123568.db2.gz NDFTZEPMUIDTJW-AWEZNQCLSA-N 2 0 291.399 -0.304 20 0 CBADRP CC(C)(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H](N)C[NH3+])CC1 ZINC001220909353 825124027 /nfs/dbraw/zinc/12/40/27/825124027.db2.gz SIVFVJOFMSNLGI-NSHDSACASA-N 2 0 284.404 -0.532 20 0 CBADRP [NH3+][C@H]1CC[C@H](N(C(=O)C2([NH3+])CC2)C2COC2)CC1 ZINC001220929499 825124670 /nfs/dbraw/zinc/12/46/70/825124670.db2.gz ANPDBWISCGKLTD-MGCOHNPYSA-N 2 0 253.346 -0.025 20 0 CBADRP Cc1noc(C2(NC(=O)[C@@H]([NH3+])CCC[NH3+])CC2)n1 ZINC001220932051 825126001 /nfs/dbraw/zinc/12/60/01/825126001.db2.gz GDJWXWUITQPZJV-QMMMGPOBSA-N 2 0 253.306 -0.450 20 0 CBADRP [NH3+][C@@H](CC1CCC1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220936671 825126026 /nfs/dbraw/zinc/12/60/26/825126026.db2.gz IACXVHZUXLSOHY-NEPJUHHUSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220936086 825126067 /nfs/dbraw/zinc/12/60/67/825126067.db2.gz CEOSWSGBZYYZGS-NWDGAFQWSA-N 3 0 272.393 -0.673 20 0 CBADRP [NH3+][C@H](C(=O)NCCO[C@H]1CC[NH2+]C1)C1CCC(O)CC1 ZINC001220937659 825126766 /nfs/dbraw/zinc/12/67/66/825126766.db2.gz WZFDAKVIDVSKPS-TYUFSLCMSA-N 2 0 285.388 -0.641 20 0 CBADRP O=C(N[C@H]1CCCc2nccnc21)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220948919 825126886 /nfs/dbraw/zinc/12/68/86/825126886.db2.gz KGXGELIQCNDGEP-JQWIXIFHSA-N 2 0 287.367 -0.221 20 0 CBADRP [NH3+][C@H](Cc1cccc(O)c1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937756 825127964 /nfs/dbraw/zinc/12/79/64/825127964.db2.gz ZLJDFPUVNUUUIB-ZIAGYGMSSA-N 2 0 293.367 -0.243 20 0 CBADRP COc1ccc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2N)nc1OC ZINC001220956131 825128574 /nfs/dbraw/zinc/12/85/74/825128574.db2.gz VVXIQNSEIJABRV-UWVGGRQHSA-N 2 0 280.328 -0.738 20 0 CBADRP COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976412 825132130 /nfs/dbraw/zinc/13/21/30/825132130.db2.gz YKMQYQIVTPOCQV-XQQFMLRXSA-N 2 0 285.388 -0.864 20 0 CBADRP CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220980918 825132479 /nfs/dbraw/zinc/13/24/79/825132479.db2.gz BPYKMTKMPTWJPK-MJBXVCDLSA-N 2 0 299.415 -0.474 20 0 CBADRP Cc1nnc(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])o1 ZINC001221010520 825135941 /nfs/dbraw/zinc/13/59/41/825135941.db2.gz JNGNCTVJLAHDQS-ZETCQYMHSA-N 2 0 259.335 -0.987 20 0 CBADRP COC[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C1CC1 ZINC001221013079 825137299 /nfs/dbraw/zinc/13/72/99/825137299.db2.gz JJVKXZKQUFBOEF-MBNYWOFBSA-N 2 0 267.373 -0.273 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1cn(CC2CC2)cn1 ZINC001221023903 825138460 /nfs/dbraw/zinc/13/84/60/825138460.db2.gz UWYJGZYEOUKEDC-LBPRGKRZSA-N 2 0 265.361 -0.025 20 0 CBADRP [NH3+]CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1O)c1ccc(F)cc1 ZINC001221061085 825139863 /nfs/dbraw/zinc/13/98/63/825139863.db2.gz ZRYIWZMGMQUDSP-RYUDHWBXSA-N 2 0 267.304 -0.302 20 0 CBADRP [NH3+]CCN(C(=O)C[C@H](O)C[NH3+])c1ccc(F)cc1 ZINC001221061064 825140501 /nfs/dbraw/zinc/14/05/01/825140501.db2.gz YVAMCWVTQXSADV-NSHDSACASA-N 2 0 255.293 -0.173 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001221091673 825142760 /nfs/dbraw/zinc/14/27/60/825142760.db2.gz SWVLOJCQQKUVQQ-MJBXVCDLSA-N 2 0 299.415 -0.476 20 0 CBADRP Cc1nccnc1CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001221103763 825143037 /nfs/dbraw/zinc/14/30/37/825143037.db2.gz QHVAXKAKLCDXSE-LBPRGKRZSA-N 2 0 263.345 -0.272 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@@H]1O ZINC001221091672 825144069 /nfs/dbraw/zinc/14/40/69/825144069.db2.gz SWVLOJCQQKUVQQ-MCIONIFRSA-N 2 0 299.415 -0.476 20 0 CBADRP N[C@@]1(C(=O)NC2(c3cccnc3)CC[NH2+]CC2)CC[NH2+]C1 ZINC001221124101 825144911 /nfs/dbraw/zinc/14/49/11/825144911.db2.gz WLYCSHRBTSPJPK-AWEZNQCLSA-N 2 0 289.383 -0.533 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221114023 825145082 /nfs/dbraw/zinc/14/50/82/825145082.db2.gz KCZPQZYTXAOGHZ-GFCCVEGCSA-N 2 0 292.383 -0.471 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221121896 825145215 /nfs/dbraw/zinc/14/52/15/825145215.db2.gz XCZXUOADUSSTPR-ZDUSSCGKSA-N 3 0 291.399 -0.157 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@]2(N)CC[NH2+]C2)CC1 ZINC001221136883 825147255 /nfs/dbraw/zinc/14/72/55/825147255.db2.gz WXIDUIYGQXSFPN-ZDUSSCGKSA-N 2 0 270.377 -0.966 20 0 CBADRP CCn1cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)ccc1=O ZINC001221176502 825150701 /nfs/dbraw/zinc/15/07/01/825150701.db2.gz BCBZVEGSFGKUNA-NSHDSACASA-N 2 0 276.340 -0.384 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001221190367 825151511 /nfs/dbraw/zinc/15/15/11/825151511.db2.gz KTPRWRKDPKMIDU-AEJSXWLSSA-N 2 0 275.324 -0.669 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCCc1ccc(CO)cc1 ZINC001221190544 825151659 /nfs/dbraw/zinc/15/16/59/825151659.db2.gz RGBLMTFHEGRJQE-ZDUSSCGKSA-N 2 0 265.357 -0.096 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001221190368 825151757 /nfs/dbraw/zinc/15/17/57/825151757.db2.gz KTPRWRKDPKMIDU-BBBLOLIVSA-N 2 0 275.324 -0.669 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](CCC[NH3+])C(=O)OC ZINC001221187881 825151780 /nfs/dbraw/zinc/15/17/80/825151780.db2.gz IWXZCMOVMNOPMQ-QWRGUYRKSA-N 3 0 288.392 -0.900 20 0 CBADRP CC(C)(C)N1CC(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001221193867 825153229 /nfs/dbraw/zinc/15/32/29/825153229.db2.gz GZEBISODJREJNE-LLVKDONJSA-N 2 0 266.389 -0.606 20 0 CBADRP CCCC[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])C(N)=O ZINC001221234729 825156505 /nfs/dbraw/zinc/15/65/05/825156505.db2.gz LABXJULXFGINLH-IUCAKERBSA-N 2 0 276.406 -0.834 20 0 CBADRP CCCC[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C(N)=O ZINC001221234120 825157354 /nfs/dbraw/zinc/15/73/54/825157354.db2.gz DASOXVZYIKYDCR-UHIISALHSA-N 2 0 282.388 -0.654 20 0 CBADRP C[N@@H+]1CCC[C@](C)(NC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001221241083 825157728 /nfs/dbraw/zinc/15/77/28/825157728.db2.gz NIOATFLQSLAXKD-KWCYVHTRSA-N 2 0 266.389 -0.462 20 0 CBADRP C[N@@H+]1CCC[C@](C)(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001221244016 825160104 /nfs/dbraw/zinc/16/01/04/825160104.db2.gz OTYICEIHWCEICA-JSGCOSHPSA-N 3 0 268.405 -0.086 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221245922 825160227 /nfs/dbraw/zinc/16/02/27/825160227.db2.gz IOZNULYJAMDITO-WCQYABFASA-N 2 0 255.362 -0.265 20 0 CBADRP [NH3+][C@@H](C(=O)N[C@@H]1CCOC[C@@H]1F)C1CC[NH2+]CC1 ZINC001221244423 825160342 /nfs/dbraw/zinc/16/03/42/825160342.db2.gz ZNZJCHZRLDLRFO-HBNTYKKESA-N 2 0 259.325 -0.444 20 0 CBADRP C[N@@H+]1CCC[C@@](C)(NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC001221243527 825160351 /nfs/dbraw/zinc/16/03/51/825160351.db2.gz KAGADXUKTAGTPE-WCQYABFASA-N 2 0 255.362 -0.035 20 0 CBADRP C[N@@H+]1CCC[C@](C)(NC(=O)[C@]2(N)CCC[NH2+]C2)C1 ZINC001221243512 825160574 /nfs/dbraw/zinc/16/05/74/825160574.db2.gz JUHSPHRUMHNWGI-STQMWFEESA-N 2 0 254.378 -0.332 20 0 CBADRP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1 ZINC001221243744 825160794 /nfs/dbraw/zinc/16/07/94/825160794.db2.gz MGLGPWIEKITUKQ-DZGCQCFKSA-N 3 0 297.447 -0.663 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221250618 825161722 /nfs/dbraw/zinc/16/17/22/825161722.db2.gz RHIFLZWYAYDOMX-DZGCQCFKSA-N 2 0 280.416 -0.072 20 0 CBADRP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001221248066 825162072 /nfs/dbraw/zinc/16/20/72/825162072.db2.gz IJSFUQADZORPFU-SGMGOOAPSA-N 2 0 267.373 -0.252 20 0 CBADRP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@H]1C[NH2+]C[C@H](O)C1 ZINC001221246298 825162234 /nfs/dbraw/zinc/16/22/34/825162234.db2.gz XAUVTBCHFCRKJL-UMVBOHGHSA-N 2 0 281.400 -0.005 20 0 CBADRP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001221246339 825162288 /nfs/dbraw/zinc/16/22/88/825162288.db2.gz YFYIXSWZXVLPAN-BMFZPTHFSA-N 2 0 292.427 -0.024 20 0 CBADRP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@@H]1C[NH2+]C[C@H](O)C1 ZINC001221246296 825162365 /nfs/dbraw/zinc/16/23/65/825162365.db2.gz XAUVTBCHFCRKJL-GZBFAFLISA-N 2 0 281.400 -0.005 20 0 CBADRP [NH3+]CCNCC(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221250701 825162428 /nfs/dbraw/zinc/16/24/28/825162428.db2.gz VWXHFMIJFSGQOI-CYBMUJFWSA-N 2 0 254.378 -0.427 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001221254088 825162625 /nfs/dbraw/zinc/16/26/25/825162625.db2.gz FJKWDLSATJNZLH-UWVGGRQHSA-N 3 0 260.407 -0.927 20 0 CBADRP CCOC(=O)/C=C(/NC(=O)[C@@H]([NH3+])CCCC[NH3+])OCC ZINC001221262694 825163402 /nfs/dbraw/zinc/16/34/02/825163402.db2.gz NADCTAIAXLKJGN-RGAIUGGKSA-N 2 0 287.360 0.000 20 0 CBADRP CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C(=O)N(C)C ZINC001221277939 825164959 /nfs/dbraw/zinc/16/49/59/825164959.db2.gz BSSZKSSMEDAMGB-DRZSPHRISA-N 2 0 298.431 -0.068 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@@H]1c2ccccc2NC1=O ZINC001221310002 825169619 /nfs/dbraw/zinc/16/96/19/825169619.db2.gz ZYSCEHBPODGDJC-MNOVXSKESA-N 2 0 276.340 -0.095 20 0 CBADRP O=C(NC1=CC(=O)NCC1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221316142 825169777 /nfs/dbraw/zinc/16/97/77/825169777.db2.gz GXEIJBNKUWJXEC-NSHDSACASA-N 2 0 278.356 -0.619 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCCNC(=O)c1cccs1 ZINC001221309059 825170077 /nfs/dbraw/zinc/17/00/77/825170077.db2.gz GEWTYTPMMIUAMI-VIFPVBQESA-N 2 0 284.385 -0.340 20 0 CBADRP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)CN1CC[NH2+]CC1 ZINC001221332607 825172014 /nfs/dbraw/zinc/17/20/14/825172014.db2.gz LNARORZHOPYMTG-HNNXBMFYSA-N 2 0 288.395 -0.196 20 0 CBADRP Cc1cnc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c(=O)[nH]1 ZINC001221328995 825172157 /nfs/dbraw/zinc/17/21/57/825172157.db2.gz PIJJXTXEVXFVJX-ZETCQYMHSA-N 2 0 271.346 -0.964 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221333877 825172597 /nfs/dbraw/zinc/17/25/97/825172597.db2.gz UXEITJZSEGNONT-KBPBESRZSA-N 3 0 276.384 -0.035 20 0 CBADRP COc1cnccc1CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221337057 825173129 /nfs/dbraw/zinc/17/31/29/825173129.db2.gz OQPCXZCOJNQEGI-LBPRGKRZSA-N 2 0 290.367 -0.442 20 0 CBADRP CC(C)(C)[N@@H+]1CCN[C@H](C(=O)NCCCC[NH3+])C1 ZINC001221348151 825174932 /nfs/dbraw/zinc/17/49/32/825174932.db2.gz UXSGFVYKICOJQE-NSHDSACASA-N 2 0 256.394 -0.086 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221367538 825175866 /nfs/dbraw/zinc/17/58/66/825175866.db2.gz QNKVRZIYVZVGFD-GHMZBOCLSA-N 2 0 258.341 -0.856 20 0 CBADRP COC1CC(CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001221366624 825176382 /nfs/dbraw/zinc/17/63/82/825176382.db2.gz JIWLJNWAHHHLKD-QEWOUOOISA-N 2 0 255.362 -0.146 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221365693 825176453 /nfs/dbraw/zinc/17/64/53/825176453.db2.gz HICQEOGHIKGYLW-PRULPYPASA-N 3 0 270.352 -0.998 20 0 CBADRP COC1CC(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001221367992 825177378 /nfs/dbraw/zinc/17/73/78/825177378.db2.gz VKYMCPGQPXYEMV-KGPNIALWSA-N 2 0 284.404 -0.722 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221368147 825177500 /nfs/dbraw/zinc/17/75/00/825177500.db2.gz YHZACNPVPGITGJ-KXUCPTDWSA-N 2 0 261.341 -0.055 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC[C@H]1CNC(=O)O1 ZINC001221370424 825177656 /nfs/dbraw/zinc/17/76/56/825177656.db2.gz QUTUASUSEOSAPM-IUCAKERBSA-N 2 0 258.322 -0.943 20 0 CBADRP CCCC(C[NH3+])(CCC)NC(=O)[C@H]1C[NH2+]CCN1 ZINC001221373056 825178803 /nfs/dbraw/zinc/17/88/03/825178803.db2.gz DZDURCFJEIMNNG-LLVKDONJSA-N 2 0 256.394 -0.038 20 0 CBADRP NC1=CC=C(C2CCN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)CC2)[NH2+]C1 ZINC001221392842 825179863 /nfs/dbraw/zinc/17/98/63/825179863.db2.gz OAGMXNRIRDAQIH-OCCSQVGLSA-N 2 0 292.383 -0.865 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001221390589 825180663 /nfs/dbraw/zinc/18/06/63/825180663.db2.gz GSHWUYJSUWYZPC-GHMZBOCLSA-N 3 0 287.383 -0.002 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C[C@@H]1COCC[NH2+]1 ZINC001221390595 825180707 /nfs/dbraw/zinc/18/07/07/825180707.db2.gz GUIFLLJQADZFAM-LLVKDONJSA-N 3 0 285.392 -0.571 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)NCCOc2ccncc2)C1 ZINC001221394143 825181120 /nfs/dbraw/zinc/18/11/20/825181120.db2.gz WWOAOIVQKXRQPX-KOLCDFICSA-N 2 0 250.302 -0.734 20 0 CBADRP C[C@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)c1ccno1 ZINC001221397428 825181454 /nfs/dbraw/zinc/18/14/54/825181454.db2.gz OAIROZLYFPVQBD-ONGXEEELSA-N 2 0 281.360 -0.398 20 0 CBADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@@H]1C[NH2+]C[C@H]1O ZINC001221399566 825182285 /nfs/dbraw/zinc/18/22/85/825182285.db2.gz RFBMZXPAYGQFSO-BFHYXJOUSA-N 2 0 275.352 -0.603 20 0 CBADRP N[C@]1(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC[NH2+]C1 ZINC001221400118 825182352 /nfs/dbraw/zinc/18/23/52/825182352.db2.gz YRFOLPUZVCRLOW-DZGCQCFKSA-N 2 0 274.368 -0.492 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221400148 825182396 /nfs/dbraw/zinc/18/23/96/825182396.db2.gz ZUHYDRYWJQEKNO-GJZGRUSLSA-N 2 0 288.395 -0.279 20 0 CBADRP C[C@@]1(NC(=O)[C@@H]([NH3+])CSCC[NH3+])CCCOC1 ZINC001221402707 825183226 /nfs/dbraw/zinc/18/32/26/825183226.db2.gz LCAJQZYKZREBCB-GXSJLCMTSA-N 2 0 261.391 -0.309 20 0 CBADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1[NH2+]CC[C@H]1O ZINC001221399537 825183325 /nfs/dbraw/zinc/18/33/25/825183325.db2.gz QJIQYBYQPAVJIK-MJBXVCDLSA-N 2 0 275.352 -0.460 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2O)[C@H](C)C1 ZINC001221407049 825183826 /nfs/dbraw/zinc/18/38/26/825183826.db2.gz KHAMJDQXTBAMMF-VOAKCMCISA-N 2 0 269.389 -0.198 20 0 CBADRP C[NH+]1CCC(CO)(NC(=O)C2CC3(C[NH2+]C3)C2)CC1 ZINC001221403797 825183879 /nfs/dbraw/zinc/18/38/79/825183879.db2.gz XPUQJAIREFPZQD-UHFFFAOYSA-N 2 0 267.373 -0.441 20 0 CBADRP C[NH+]1CCC(CO)(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001221407529 825184028 /nfs/dbraw/zinc/18/40/28/825184028.db2.gz ZVUVUGQKLCVBBY-LBPRGKRZSA-N 3 0 286.420 -0.594 20 0 CBADRP C[NH+]1CCC(CO)(NC(=O)[C@@H]([NH3+])COC(C)(C)C)CC1 ZINC001221406486 825184102 /nfs/dbraw/zinc/18/41/02/825184102.db2.gz RSZKDOYAWKXGSJ-NSHDSACASA-N 2 0 287.404 -0.298 20 0 CBADRP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001221407779 825184237 /nfs/dbraw/zinc/18/42/37/825184237.db2.gz DTVFQAVYPIIUJA-YDHLFZDLSA-N 2 0 279.384 -0.273 20 0 CBADRP C[NH+](C)CC1CCC(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC001221403834 825184784 /nfs/dbraw/zinc/18/47/84/825184784.db2.gz ZHLAAGZHXAIQCN-TYUFSLCMSA-N 2 0 269.389 -0.054 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)[C@@H](C)C1 ZINC001221409886 825185620 /nfs/dbraw/zinc/18/56/20/825185620.db2.gz VLYXPNZIGUPLRY-QNWHQSFQSA-N 2 0 269.389 -0.056 20 0 CBADRP N[C@@]1(C(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)CC[NH2+]C1 ZINC001221409863 825185638 /nfs/dbraw/zinc/18/56/38/825185638.db2.gz PGIKRWFUYQKMJO-AAEUAGOBSA-N 2 0 252.362 -0.819 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221409059 825185999 /nfs/dbraw/zinc/18/59/99/825185999.db2.gz MBWDKWAGOMYOHB-CRTZDJKQSA-N 2 0 287.429 -0.413 20 0 CBADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001221411185 825186099 /nfs/dbraw/zinc/18/60/99/825186099.db2.gz UQISCHMDXHREAL-XJFOESAGSA-N 2 0 279.384 -0.275 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221411378 825186842 /nfs/dbraw/zinc/18/68/42/825186842.db2.gz VZVFRYWWJFQCET-KBPBESRZSA-N 2 0 291.399 -0.206 20 0 CBADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001221411958 825187225 /nfs/dbraw/zinc/18/72/25/825187225.db2.gz ZWZSJIGHVDJRQI-IJLUTSLNSA-N 2 0 253.346 -0.787 20 0 CBADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@@H]1C[NH2+]C[C@H]1O ZINC001221411708 825187568 /nfs/dbraw/zinc/18/75/68/825187568.db2.gz XOYRHIQTSUPMHF-IJLUTSLNSA-N 2 0 253.346 -0.929 20 0 CBADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@H]1[NH2+]CC[C@@H]1O ZINC001221412524 825187726 /nfs/dbraw/zinc/18/77/26/825187726.db2.gz DNIWPLSROABHLV-TUAOUCFPSA-N 2 0 253.346 -0.787 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)N[C@H](C2CCC2)C2C[NH2+]C2)C1 ZINC001221415026 825187768 /nfs/dbraw/zinc/18/77/68/825187768.db2.gz WBYZVHCCHPMEAU-SDDRHHMPSA-N 2 0 252.362 -0.820 20 0 CBADRP C[C@H](C(N)=O)N1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789300 825193859 /nfs/dbraw/zinc/19/38/59/825193859.db2.gz OPCWXYJBKXJWRD-IJLUTSLNSA-N 2 0 282.388 -0.655 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791690 825194150 /nfs/dbraw/zinc/19/41/50/825194150.db2.gz YBLUMUDGGSZGOH-MGPQQGTHSA-N 2 0 299.415 -0.522 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791413 825194344 /nfs/dbraw/zinc/19/43/44/825194344.db2.gz KALAKEWEKQPGKW-JHJVBQTASA-N 2 0 269.389 -0.148 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CC[NH+](CCCO)CC2)O1 ZINC001222079637 825199011 /nfs/dbraw/zinc/19/90/11/825199011.db2.gz DBHIEMBXBXXLJV-LBPRGKRZSA-N 2 0 257.378 -0.289 20 0 CBADRP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222091077 825201269 /nfs/dbraw/zinc/20/12/69/825201269.db2.gz OLYOCBHABGLTHE-UHFFFAOYSA-N 2 0 293.371 -0.276 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CCOC[C@]3(C[NH2+]CCO3)C2)O1 ZINC001222186234 825203760 /nfs/dbraw/zinc/20/37/60/825203760.db2.gz AYXMVOBFGQYILI-JSGCOSHPSA-N 2 0 285.388 -0.598 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001222416006 825210705 /nfs/dbraw/zinc/21/07/05/825210705.db2.gz YMAVTOQAJFQAGR-UWVGGRQHSA-N 2 0 257.334 -0.842 20 0 CBADRP C([C@H]1COCC[NH2+]1)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492393 825211858 /nfs/dbraw/zinc/21/18/58/825211858.db2.gz WLWJDVAMKFJVTJ-AVGNSLFASA-N 2 0 254.378 -0.999 20 0 CBADRP [NH3+]CCCC[N@@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001222520313 825213813 /nfs/dbraw/zinc/21/38/13/825213813.db2.gz FLIMARVGQQXHOI-CYBMUJFWSA-N 3 0 252.362 -0.863 20 0 CBADRP C([C@H]1COCC[NH2+]1)N1CC[NH2+]C[C@@]2(CCCCN2)C1 ZINC001222667623 825220060 /nfs/dbraw/zinc/22/00/60/825220060.db2.gz GARIRCPMNVADNS-KBPBESRZSA-N 2 0 268.405 -0.608 20 0 CBADRP C[NH+](C)[C@H](C(=O)NCC1CC[NH+](CC(N)=O)CC1)C1CC1 ZINC001223465833 825229619 /nfs/dbraw/zinc/22/96/19/825229619.db2.gz MCUFDFFXCVFHPS-AWEZNQCLSA-N 2 0 296.415 -0.360 20 0 CBADRP C[NH+](C)CCC(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001224336955 825236724 /nfs/dbraw/zinc/23/67/24/825236724.db2.gz DIGLMAMQANQUHD-UHFFFAOYSA-N 2 0 270.377 -0.748 20 0 CBADRP CC[C@@H](C(=O)NCC1CC[NH+](CC(=O)NC)CC1)[NH+](C)C ZINC001224583141 825244306 /nfs/dbraw/zinc/24/43/06/825244306.db2.gz KEHWFSDRRJKZLF-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](C(N)=O)[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001225443059 825255921 /nfs/dbraw/zinc/25/59/21/825255921.db2.gz ZXYAOLINMIADGM-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001228261423 825313822 /nfs/dbraw/zinc/31/38/22/825313822.db2.gz KUYLSMCZNIWXOZ-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP C[NH+](C)CCOCC(=O)NC1CC[NH+](CCCO)CC1 ZINC001230034721 825341736 /nfs/dbraw/zinc/34/17/36/825341736.db2.gz MQXHGGFBBXTKKI-UHFFFAOYSA-N 2 0 287.404 -0.472 20 0 CBADRP C[NH+](C)CCCN1CC[NH+](Cc2c[nH]c(=O)[nH]c2=O)CC1 ZINC001231703081 825412899 /nfs/dbraw/zinc/41/28/99/825412899.db2.gz NUNVQOXKDQRDLD-UHFFFAOYSA-N 2 0 295.387 -0.043 20 0 CBADRP C(CN1CCN2CC[NH2+]C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC001234974493 825477916 /nfs/dbraw/zinc/47/79/16/825477916.db2.gz KXEHWHNHQOGADS-KBPBESRZSA-N 2 0 252.406 -0.035 20 0 CBADRP [NH3+]C12CC(CC[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)(C1)C2 ZINC001235051692 825483954 /nfs/dbraw/zinc/48/39/54/825483954.db2.gz AAVLPYZXRKQQGP-RUXDESIVSA-N 3 0 250.390 -0.105 20 0 CBADRP CC(=O)N1CCC[C@H](C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001235053526 825484704 /nfs/dbraw/zinc/48/47/04/825484704.db2.gz UJNRSLFKXKEWQD-HUUCEWRRSA-N 2 0 280.416 -0.118 20 0 CBADRP C[N@@H+]1CCC[C@@H](CN2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001235056322 825485275 /nfs/dbraw/zinc/48/52/75/825485275.db2.gz XSVJHPYNQCLGHY-ZIAGYGMSSA-N 2 0 252.406 -0.035 20 0 CBADRP O=C1CCC[C@]2(C[NH2+]CCN(CCCCO)C2)N1 ZINC001235173643 825486500 /nfs/dbraw/zinc/48/65/00/825486500.db2.gz DHYPCIVJIAUJQN-CYBMUJFWSA-N 2 0 255.362 -0.297 20 0 CBADRP CC[NH2+]CCN1[C@H](C(=O)OCC)C[C@H]2C[NH2+]C[C@H]21 ZINC001235323372 825492866 /nfs/dbraw/zinc/49/28/66/825492866.db2.gz FINKZAFJBGLXRO-SDDRHHMPSA-N 2 0 255.362 -0.179 20 0 CBADRP OC[C@@H]1C[NH2+]CCN1Cc1ccccc1N1CC[NH2+]CC1 ZINC001235440030 825496887 /nfs/dbraw/zinc/49/68/87/825496887.db2.gz FCTXWRCRLRFHMP-HNNXBMFYSA-N 2 0 290.411 -0.138 20 0 CBADRP OC[C@@H]1C[NH2+]CCN1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235439910 825497098 /nfs/dbraw/zinc/49/70/98/825497098.db2.gz DUSCQQDHLLVPOP-INIZCTEOSA-N 2 0 290.411 -0.138 20 0 CBADRP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+](CCO)CC2 ZINC001235487591 825498600 /nfs/dbraw/zinc/49/86/00/825498600.db2.gz HRCAIIILFRARKZ-UHFFFAOYSA-N 2 0 279.384 -0.197 20 0 CBADRP C[C@@H]([NH3+])CN1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001235521472 825500629 /nfs/dbraw/zinc/50/06/29/825500629.db2.gz MYCKCQLXNSNMRT-SNVBAGLBSA-N 2 0 295.387 -0.329 20 0 CBADRP C[C@H]([NH3+])CN1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001235597176 825506336 /nfs/dbraw/zinc/50/63/36/825506336.db2.gz OITMWTHLHNVXPG-NSHDSACASA-N 2 0 279.388 -0.142 20 0 CBADRP CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](CCCC[NH3+])C2 ZINC001235627252 825508793 /nfs/dbraw/zinc/50/87/93/825508793.db2.gz ZKYXKDMQWADDDJ-CYBMUJFWSA-N 2 0 268.361 -0.852 20 0 CBADRP NC(=O)[C@H]1CN(C[C@H]([NH3+])Cc2ccccc2)CC[NH2+]1 ZINC001235753897 825514275 /nfs/dbraw/zinc/51/42/75/825514275.db2.gz GRCBMHJZXRYFOB-CHWSQXEVSA-N 2 0 262.357 -0.685 20 0 CBADRP CCc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)on1 ZINC001235869067 825515084 /nfs/dbraw/zinc/51/50/84/825515084.db2.gz JDFMTEANKHOZJR-UHFFFAOYSA-N 2 0 281.404 -0.179 20 0 CBADRP CC1(C)O[C@@H]2O[C@@H](C[NH+]3CC4(CC([NH3+])C4)C3)[C@@H](O)[C@@H]2O1 ZINC001235820696 825515223 /nfs/dbraw/zinc/51/52/23/825515223.db2.gz RPLOZTHVPXUKQA-USZNOCQGSA-N 2 0 284.356 -0.353 20 0 CBADRP Cc1cnc(CN2CC[NH2+]CCNCC[NH2+]CC2)cn1 ZINC001235869640 825515577 /nfs/dbraw/zinc/51/55/77/825515577.db2.gz KPGZXFMNIBPCHD-UHFFFAOYSA-N 2 0 278.404 -0.631 20 0 CBADRP CNc1ncc(CN2CC[NH2+]CCNCC[NH2+]CC2)s1 ZINC001235869983 825515617 /nfs/dbraw/zinc/51/56/17/825515617.db2.gz GREIXGJRYJTASO-UHFFFAOYSA-N 2 0 298.460 -0.231 20 0 CBADRP O=c1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c[nH]1 ZINC001235869073 825515787 /nfs/dbraw/zinc/51/57/87/825515787.db2.gz JEUKUMLUNUEVHT-UHFFFAOYSA-N 2 0 279.388 -0.628 20 0 CBADRP Nc1ncccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871562 825516242 /nfs/dbraw/zinc/51/62/42/825516242.db2.gz WCJQEMLWTNLIHA-UHFFFAOYSA-N 2 0 278.404 -0.752 20 0 CBADRP C(C[NH+]1CCNCC[NH2+]CCNCC1)[C@H]1CCC[NH2+]C1 ZINC001235870089 825516421 /nfs/dbraw/zinc/51/64/21/825516421.db2.gz NLCAUMLPURCWIG-OAHLLOKOSA-N 3 0 283.464 -0.540 20 0 CBADRP c1cnc(CN2CC[NH2+]CCNCC[NH2+]CC2)cn1 ZINC001235871488 825517200 /nfs/dbraw/zinc/51/72/00/825517200.db2.gz SGDILYUEOFTRGZ-UHFFFAOYSA-N 2 0 264.377 -0.939 20 0 CBADRP [NH3+]CCCC[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC001235890200 825518329 /nfs/dbraw/zinc/51/83/29/825518329.db2.gz CKYVDDBTGVILSX-UHFFFAOYSA-N 2 0 289.445 -0.080 20 0 CBADRP C[NH+](C)CCN1CCN(C[C@@H]2C[NH2+]C(C)(C)O2)CCC1=O ZINC001235963477 825518393 /nfs/dbraw/zinc/51/83/93/825518393.db2.gz UWHSIMSOHNXKGU-ZDUSSCGKSA-N 2 0 298.431 -0.193 20 0 CBADRP COCCn1cc(CN2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235993282 825519448 /nfs/dbraw/zinc/51/94/48/825519448.db2.gz GNIUHBHMLIMJSZ-PBWFPOADSA-N 2 0 280.372 -0.065 20 0 CBADRP [NH3+]CCNC(=O)c1cccc(CN2C[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001236022397 825519887 /nfs/dbraw/zinc/51/98/87/825519887.db2.gz DNVQJZCHCJRYGS-UKRRQHHQSA-N 2 0 274.368 -0.092 20 0 CBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(CC[NH3+])C[C@H]1C2 ZINC001236023695 825520071 /nfs/dbraw/zinc/52/00/71/825520071.db2.gz SWZJMJHBRPPGAV-XZUYRWCXSA-N 2 0 253.346 -0.724 20 0 CBADRP [NH3+]CCNC(=O)c1cccc(CN2CC[C@H]([NH3+])C2)c1 ZINC001236172650 825522346 /nfs/dbraw/zinc/52/23/46/825522346.db2.gz IYQGSGQDTFPCMH-ZDUSSCGKSA-N 2 0 262.357 -0.092 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1CC[C@H]1CCC[NH2+]C1 ZINC001236196526 825524218 /nfs/dbraw/zinc/52/42/18/825524218.db2.gz JVVHVCFNFZBRCR-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1nc2c(s1)C[NH2+]CC2 ZINC001236200115 825524677 /nfs/dbraw/zinc/52/46/77/825524677.db2.gz HZYIUSSSMGIXCT-WPRPVWTQSA-N 2 0 296.396 -0.137 20 0 CBADRP c1cc(N2CC[NH2+]CC2)ncc1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236290332 825526147 /nfs/dbraw/zinc/52/61/47/825526147.db2.gz JIIOYJJPRCMDJQ-UONOGXRCSA-N 2 0 273.384 -0.105 20 0 CBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])CCCCCO ZINC001236310115 825526479 /nfs/dbraw/zinc/52/64/79/825526479.db2.gz VGHJSKVIPLRNBA-UHFFFAOYSA-N 2 0 274.409 -0.735 20 0 CBADRP Nc1cccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])n1 ZINC001236312771 825527035 /nfs/dbraw/zinc/52/70/35/825527035.db2.gz ZUYVYTXUOMWYJV-UHFFFAOYSA-N 2 0 294.403 -0.720 20 0 CBADRP COC(=O)[C@@H]1CN(C[C@@H]2CCC[N@H+](C)C2)C[C@@H]1[NH3+] ZINC001236345826 825528319 /nfs/dbraw/zinc/52/83/19/825528319.db2.gz VBQYUYONAQIRTB-UTUOFQBUSA-N 2 0 255.362 -0.240 20 0 CBADRP COC(=O)[C@@H]1CN(C[C@@H]2CCC[N@H+](C)C2)C[C@H]1[NH3+] ZINC001236345822 825528365 /nfs/dbraw/zinc/52/83/65/825528365.db2.gz VBQYUYONAQIRTB-IJLUTSLNSA-N 2 0 255.362 -0.240 20 0 CBADRP COC(=O)[C@@H]1CN(CC[C@H]2CCCC[NH2+]2)C[C@H]1[NH3+] ZINC001236346154 825529097 /nfs/dbraw/zinc/52/90/97/825529097.db2.gz WWXKWERVSFBFIV-IJLUTSLNSA-N 2 0 255.362 -0.049 20 0 CBADRP COC(=O)[C@H]1CN(C[C@@H]2C[NH2+]C(C)(C)O2)CC[C@@H]1[NH3+] ZINC001236412564 825532171 /nfs/dbraw/zinc/53/21/71/825532171.db2.gz WVRCBLHXJRDBLS-DCAQKATOSA-N 2 0 271.361 -0.467 20 0 CBADRP C[NH+](C)CCN(CC[C@@H]1C[NH2+]CCO1)[C@H]1CCC[NH2+]C1 ZINC001236924703 825533415 /nfs/dbraw/zinc/53/34/15/825533415.db2.gz SERLAVXMEJIWBI-LSDHHAIUSA-N 3 0 284.448 -0.020 20 0 CBADRP O=S(=O)(N[C@H]1CC[NH2+]C[C@H]1F)C1CC[NH2+]CC1 ZINC001238052754 825545943 /nfs/dbraw/zinc/54/59/43/825545943.db2.gz MNJWVJSSNUFTCD-ZJUUUORDSA-N 2 0 265.354 -0.642 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)Nc1cnn(C2C[NH2+]C2)c1 ZINC001237518086 825537504 /nfs/dbraw/zinc/53/75/04/825537504.db2.gz CFQJPUACUYQJTJ-UHFFFAOYSA-N 2 0 299.400 -0.231 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1cccnc1N1CC[C@@H]([NH3+])C1 ZINC001237560368 825538293 /nfs/dbraw/zinc/53/82/93/825538293.db2.gz QPDFUDVUCWFXRF-SECBINFHSA-N 2 0 285.373 -0.681 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001238171401 825549033 /nfs/dbraw/zinc/54/90/33/825549033.db2.gz VUHXWKCYHJPJFK-SSDOTTSWSA-N 2 0 275.296 -0.594 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1C[NH2+]C[C@H]1F ZINC001238258408 825550669 /nfs/dbraw/zinc/55/06/69/825550669.db2.gz BBMRTDNKNGCGKD-NXEZZACHSA-N 2 0 265.354 -0.785 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001238301009 825550742 /nfs/dbraw/zinc/55/07/42/825550742.db2.gz PUTCPDAUXKFRCD-VXGBXAGGSA-N 2 0 289.401 -0.964 20 0 CBADRP [NH3+]CCS(=O)(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001238276724 825550982 /nfs/dbraw/zinc/55/09/82/825550982.db2.gz MWQMRBPOQDMYJE-LLVKDONJSA-N 2 0 286.401 -0.524 20 0 CBADRP [NH3+]CCS(=O)(=O)NCC[NH2+]Cc1ccccc1 ZINC001238369147 825552767 /nfs/dbraw/zinc/55/27/67/825552767.db2.gz XIJLXFIXOWDWDL-UHFFFAOYSA-N 2 0 257.359 -0.346 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NCC1(O)CC[NH2+]CC1 ZINC001238380335 825553152 /nfs/dbraw/zinc/55/31/52/825553152.db2.gz JAQLWEDMKADFGY-UHFFFAOYSA-N 2 0 291.417 -0.980 20 0 CBADRP C[NH2+]CCCCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238425571 825553431 /nfs/dbraw/zinc/55/34/31/825553431.db2.gz PVWTVJPIOYAUDD-UHFFFAOYSA-N 2 0 263.407 -0.095 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1C[NH2+]CC[C@H]1F ZINC001238469242 825554489 /nfs/dbraw/zinc/55/44/89/825554489.db2.gz KBRIPEGADYSKPE-MNOVXSKESA-N 2 0 279.381 -0.395 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)CC[NH3+] ZINC001238566837 825555772 /nfs/dbraw/zinc/55/57/72/825555772.db2.gz XHTXMJKIHFSIRC-NSHDSACASA-N 2 0 263.407 -0.015 20 0 CBADRP O=S(=O)(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1CC[NH2+]C1 ZINC001238597117 825556440 /nfs/dbraw/zinc/55/64/40/825556440.db2.gz RBCWTRANDAVWAH-KBPBESRZSA-N 2 0 295.408 -0.018 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@H]1CSCC[NH2+]1 ZINC001238753811 825563468 /nfs/dbraw/zinc/56/34/68/825563468.db2.gz YXNMXVDULXXFRS-NSHDSACASA-N 2 0 293.458 -0.390 20 0 CBADRP [NH3+][C@@H]1CCCC[C@@H]1NS(=O)(=O)C1CC[NH2+]CC1 ZINC001238890128 825570080 /nfs/dbraw/zinc/57/00/80/825570080.db2.gz BGANPWWKPMBMAL-MNOVXSKESA-N 2 0 261.391 -0.072 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1C[NH2+]C[C@H]2C[C@H]21 ZINC001238910958 825570484 /nfs/dbraw/zinc/57/04/84/825570484.db2.gz SDAOXJAUYTUEKK-IJLUTSLNSA-N 2 0 273.402 -0.487 20 0 CBADRP C[C@@]1([NH3+])CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001238920594 825571955 /nfs/dbraw/zinc/57/19/55/825571955.db2.gz ACFGIGULDYXBHU-LLVKDONJSA-N 2 0 261.391 -0.261 20 0 CBADRP C[C@H]1CC[C@@H](C[NH3+])N1S(=O)(=O)C1CC[NH2+]CC1 ZINC001238927924 825572554 /nfs/dbraw/zinc/57/25/54/825572554.db2.gz UOASGCJKYHHSSJ-UWVGGRQHSA-N 2 0 261.391 -0.120 20 0 CBADRP C[C@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001238931059 825572606 /nfs/dbraw/zinc/57/26/06/825572606.db2.gz RFLAPMLNUHOOBX-VHSXEESVSA-N 2 0 261.391 -0.405 20 0 CBADRP [NH3+]C[C@]1(O)CCCCN(S(=O)(=O)C2CC[NH2+]CC2)C1 ZINC001238943049 825574670 /nfs/dbraw/zinc/57/46/70/825574670.db2.gz JMTDXJWZARCBLG-GFCCVEGCSA-N 2 0 291.417 -0.756 20 0 CBADRP [NH3+][C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CC(F)(F)C1 ZINC001238962084 825577652 /nfs/dbraw/zinc/57/76/52/825577652.db2.gz QJPJIOZTEUMNLD-SNVBAGLBSA-N 2 0 297.371 -0.016 20 0 CBADRP [NH3+][C@@H]1C[C@H](F)CN(S(=O)(=O)[C@@H]2CC[NH2+]C2)C1 ZINC001238970175 825579405 /nfs/dbraw/zinc/57/94/05/825579405.db2.gz HQYOMMWEVPIHJT-DJLDLDEBSA-N 2 0 251.327 -0.951 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2CC[NH2+]C[C@H]21 ZINC001239049151 825583749 /nfs/dbraw/zinc/58/37/49/825583749.db2.gz RTHZZBNCOLKWCZ-VXGBXAGGSA-N 2 0 273.402 -0.391 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCCC12C[NH2+]C2 ZINC001239035943 825583816 /nfs/dbraw/zinc/58/38/16/825583816.db2.gz XLYHABKYCPORMG-UHFFFAOYSA-N 2 0 273.402 -0.246 20 0 CBADRP [NH3+][C@@]12C[C@@H]1CCN(S(=O)(=O)CC1CC[NH2+]CC1)C2 ZINC001239044707 825583918 /nfs/dbraw/zinc/58/39/18/825583918.db2.gz ODPDMWWVTYFCMT-NWDGAFQWSA-N 2 0 273.402 -0.261 20 0 CBADRP COCCN(C1CC[NH+](C)CC1)S(=O)(=O)CC[NH3+] ZINC001239083766 825584871 /nfs/dbraw/zinc/58/48/71/825584871.db2.gz HVFTVKDOUOCPOY-UHFFFAOYSA-N 2 0 279.406 -0.683 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@@H](C2C[NH2+]C2)C1 ZINC001239064411 825585018 /nfs/dbraw/zinc/58/50/18/825585018.db2.gz KKAWEHVKUJTETG-GFCCVEGCSA-N 2 0 287.429 -0.143 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)[C@H]1CC[NH2+]C1 ZINC001239073393 825585243 /nfs/dbraw/zinc/58/52/43/825585243.db2.gz AXLMOAMLNUKANA-QWRGUYRKSA-N 2 0 261.391 -0.392 20 0 CBADRP [NH3+]CCN(CC[NH3+])S(=O)(=O)C(Cl)(Cl)Cl ZINC001239096086 825586154 /nfs/dbraw/zinc/58/61/54/825586154.db2.gz AEJIYHOXSQTFQV-UHFFFAOYSA-N 2 0 284.596 -0.137 20 0 CBADRP COCCCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)CC[NH3+] ZINC001239091140 825587011 /nfs/dbraw/zinc/58/70/11/825587011.db2.gz NWCKBKQWGQEEFY-LLVKDONJSA-N 2 0 279.406 -0.635 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001239127289 825591104 /nfs/dbraw/zinc/59/11/04/825591104.db2.gz CUYUKUKXRCHMQG-WDEREUQCSA-N 2 0 259.375 -0.781 20 0 CBADRP [NH3+]CCS(=O)(=O)N(Cc1ccncc1)[C@@H]1CC[NH2+]C1 ZINC001239144539 825594910 /nfs/dbraw/zinc/59/49/10/825594910.db2.gz SLCPVIRJSAJLAI-GFCCVEGCSA-N 2 0 284.385 -0.466 20 0 CBADRP CC[NH+](CC)C[C@H]1CN(S(=O)(=O)CC[NH3+])CCO1 ZINC001239171340 825595074 /nfs/dbraw/zinc/59/50/74/825595074.db2.gz VNIXZXIYEZBZFW-NSHDSACASA-N 2 0 279.406 -0.683 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001239161727 825595590 /nfs/dbraw/zinc/59/55/90/825595590.db2.gz RIEXPGHMLHIJTL-NSHDSACASA-N 2 0 277.390 -0.929 20 0 CBADRP [NH3+]CCS(=O)(=O)N(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001239163153 825595789 /nfs/dbraw/zinc/59/57/89/825595789.db2.gz QGACZRDDHNTRDC-SNVBAGLBSA-N 2 0 261.391 -0.261 20 0 CBADRP CCCCOC(=O)CNC(=O)NCCC[NH2+]CCC[NH3+] ZINC001239253357 825597362 /nfs/dbraw/zinc/59/73/62/825597362.db2.gz ZHATZEGCBTWHCV-UHFFFAOYSA-N 2 0 288.392 -0.043 20 0 CBADRP COC(=O)[C@H](CCCC[NH3+])NC(=S)NCC[NH3+] ZINC001239369440 825600347 /nfs/dbraw/zinc/60/03/47/825600347.db2.gz QNICFEZHQAELNO-QMMMGPOBSA-N 2 0 262.379 -0.920 20 0 CBADRP C[NH+](C)CCNC(=S)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001239354647 825600834 /nfs/dbraw/zinc/60/08/34/825600834.db2.gz ZYKZWRYTNPKMAY-GXSJLCMTSA-N 2 0 278.397 -0.925 20 0 CBADRP CC[NH+](CC)CCCNC(=S)N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001239378101 825601608 /nfs/dbraw/zinc/60/16/08/825601608.db2.gz VWAPUQJGOOLUPN-VXGBXAGGSA-N 2 0 288.461 -0.237 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@@H]1NC(=S)NCC[NH+]1CCCCC1 ZINC001239378666 825601697 /nfs/dbraw/zinc/60/16/97/825601697.db2.gz SSMTWLLWFWWARU-RYUDHWBXSA-N 2 0 286.445 -0.483 20 0 CBADRP C[NH+](C)CCNC(=S)N1CCNC2(CC[NH2+]CC2)C1 ZINC001239417760 825604234 /nfs/dbraw/zinc/60/42/34/825604234.db2.gz RQTZBAKOCVRPBG-UHFFFAOYSA-N 2 0 285.461 -0.550 20 0 CBADRP c1nc2c(c(-c3cnc(N4CC[NH2+]CC4)nc3)n1)CC[NH2+]C2 ZINC001241895026 825609765 /nfs/dbraw/zinc/60/97/65/825609765.db2.gz RZONTXVHMAAEMX-UHFFFAOYSA-N 2 0 297.366 -0.011 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245982131 825616306 /nfs/dbraw/zinc/61/63/06/825616306.db2.gz KFLQAFJUIUUZRL-HZSPNIEDSA-N 3 0 285.432 -0.313 20 0 CBADRP CCCCOC[C@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001245973270 825616820 /nfs/dbraw/zinc/61/68/20/825616820.db2.gz JTPWEBXTSMQDFQ-FRRDWIJNSA-N 2 0 278.368 -0.184 20 0 CBADRP O[C@H](C[NH2+]C[C@H]1CCC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245979443 825616861 /nfs/dbraw/zinc/61/68/61/825616861.db2.gz AENFCALYSAHVFQ-STQMWFEESA-N 3 0 271.405 -0.559 20 0 CBADRP O[C@]1(CNC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC[NH2+]C1 ZINC001245983411 825618100 /nfs/dbraw/zinc/61/81/00/825618100.db2.gz GGYQZAGRYXJEBQ-TZMCWYRMSA-N 3 0 268.405 -0.825 20 0 CBADRP CCOC(=O)C[C@H](O)CNC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245987352 825618128 /nfs/dbraw/zinc/61/81/28/825618128.db2.gz RCWVXBKWNVDQGD-OLZOCXBDSA-N 2 0 299.415 -0.236 20 0 CBADRP OC1(C[NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)CCOCC1 ZINC001245989228 825618289 /nfs/dbraw/zinc/61/82/89/825618289.db2.gz ZAHNVERQKBZQNY-ZDUSSCGKSA-N 2 0 283.416 -0.008 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)CN2CCOCC2)C1 ZINC001245985386 825618555 /nfs/dbraw/zinc/61/85/55/825618555.db2.gz RRLMBQMBWPCNIM-JHJVBQTASA-N 2 0 257.378 -0.461 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+]C[C@H](O)CN2CCOCC2)C1 ZINC001245992445 825619469 /nfs/dbraw/zinc/61/94/69/825619469.db2.gz LXLDDAYVHUWAIW-MJBXVCDLSA-N 2 0 271.405 -0.485 20 0 CBADRP CCCOC[C@@H](O)C[NH2+]CC1(C(=O)OC)CC[NH2+]CC1 ZINC001245998963 825619840 /nfs/dbraw/zinc/61/98/40/825619840.db2.gz ZYTSADIEDWYJBA-LBPRGKRZSA-N 2 0 288.388 -0.094 20 0 CBADRP O[C@@H](CN1CCC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246015259 825620825 /nfs/dbraw/zinc/62/08/25/825620825.db2.gz VAROPFPTSJMTDR-GFCCVEGCSA-N 2 0 257.378 -0.853 20 0 CBADRP C[C@H]1CC[C@@H](C[NH3+])N1C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246016507 825620987 /nfs/dbraw/zinc/62/09/87/825620987.db2.gz LUGOZKAFUXIKSN-AVGNSLFASA-N 2 0 271.405 -0.337 20 0 CBADRP [NH3+][C@@H]1CCC[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246016716 825621391 /nfs/dbraw/zinc/62/13/91/825621391.db2.gz NGLNTHGHBTXFSP-CHWSQXEVSA-N 3 0 271.405 -0.335 20 0 CBADRP CCOC(=O)C[C@H](O)C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246018516 825622146 /nfs/dbraw/zinc/62/21/46/825622146.db2.gz DTMXZXJQZUFVMG-WCQYABFASA-N 2 0 274.361 -0.524 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246018422 825622352 /nfs/dbraw/zinc/62/23/52/825622352.db2.gz DQCXCVWQXKAPJA-UONOGXRCSA-N 3 0 273.421 -0.135 20 0 CBADRP CCCOC[C@H](O)C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246019685 825622578 /nfs/dbraw/zinc/62/25/78/825622578.db2.gz JISKHPKVTOYENB-OLZOCXBDSA-N 2 0 260.378 -0.050 20 0 CBADRP OC1(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CCOCC1 ZINC001246020534 825622600 /nfs/dbraw/zinc/62/26/00/825622600.db2.gz CNXSQODGBUHCJW-STQMWFEESA-N 2 0 269.389 -0.446 20 0 CBADRP [NH3+]C[C@@]1(O)CCC[N@H+](C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001246020892 825622973 /nfs/dbraw/zinc/62/29/73/825622973.db2.gz MRXMFBQDJJETKC-OLZOCXBDSA-N 3 0 257.378 -0.723 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C[C@H](O)C(F)(F)F ZINC001246018563 825623127 /nfs/dbraw/zinc/62/31/27/825623127.db2.gz GOKPJDKIMYHPRX-YUMQZZPRSA-N 2 0 271.283 -0.257 20 0 CBADRP CCCOC[C@@H](O)C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246017400 825623146 /nfs/dbraw/zinc/62/31/46/825623146.db2.gz ASRQSIVUSLYFOD-STQMWFEESA-N 2 0 260.378 -0.050 20 0 CBADRP CC(C)OC[C@H](O)C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246023600 825623600 /nfs/dbraw/zinc/62/36/00/825623600.db2.gz SGLWMZIFMDZRMW-OLZOCXBDSA-N 2 0 260.378 -0.052 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246024285 825623761 /nfs/dbraw/zinc/62/37/61/825623761.db2.gz UOLMBKZWVJRQMU-OCCSQVGLSA-N 3 0 273.421 -0.089 20 0 CBADRP OC1(C[N@@H+]2CCNC[C@@]3(CCCCN3)C2)CC[NH2+]CC1 ZINC001246023427 825623806 /nfs/dbraw/zinc/62/38/06/825623806.db2.gz BXYHXGCNBDNOOJ-AWEZNQCLSA-N 2 0 282.432 -0.482 20 0 CBADRP O[C@@]1(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)CCC[NH2+]C1 ZINC001246021332 825623818 /nfs/dbraw/zinc/62/38/18/825623818.db2.gz GFTPAMSLKCHRBY-IHRRRGAJSA-N 2 0 268.405 -0.873 20 0 CBADRP CCCOC[C@@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246022349 825624062 /nfs/dbraw/zinc/62/40/62/825624062.db2.gz XLMJACQUZIYXFO-RYUDHWBXSA-N 2 0 275.393 -0.393 20 0 CBADRP OC1(C[N@@H+]2CCNC[C@]3(CCCCN3)C2)CC[NH2+]CC1 ZINC001246023431 825624643 /nfs/dbraw/zinc/62/46/43/825624643.db2.gz BXYHXGCNBDNOOJ-CQSZACIVSA-N 2 0 282.432 -0.482 20 0 CBADRP C[C@@H]1CC[C@H](C[NH3+])N(C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246026581 825625439 /nfs/dbraw/zinc/62/54/39/825625439.db2.gz WGHIUPKLJXDBMO-MGPQQGTHSA-N 2 0 285.432 -0.089 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)CN1CCCC[C@@](O)(C[NH3+])C1 ZINC001246025796 825625520 /nfs/dbraw/zinc/62/55/20/825625520.db2.gz UPJVILCELYGGFC-TZMCWYRMSA-N 2 0 273.421 -0.089 20 0 CBADRP [NH3+]CC1(F)CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC001246025862 825626318 /nfs/dbraw/zinc/62/63/18/825626318.db2.gz SNFYXRNVWVVQQP-LBPRGKRZSA-N 2 0 275.368 -0.558 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)CN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246025511 825626399 /nfs/dbraw/zinc/62/63/99/825626399.db2.gz RIRMXGGPKNAMOJ-RDBSUJKOSA-N 2 0 284.448 -0.239 20 0 CBADRP O[C@@]1(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC001246034726 825629209 /nfs/dbraw/zinc/62/92/09/825629209.db2.gz XWQATJDNXVTGCA-AWEZNQCLSA-N 3 0 268.405 -0.872 20 0 CBADRP COC(=O)[C@H]1CN(C[C@H](O)C[NH2+]C(C)(C)C)C[C@@H]1[NH3+] ZINC001246052492 825630009 /nfs/dbraw/zinc/63/00/09/825630009.db2.gz MVYAMMOGXWSFQB-VWYCJHECSA-N 2 0 273.377 -0.833 20 0 CBADRP CC(C)[C@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246054468 825630424 /nfs/dbraw/zinc/63/04/24/825630424.db2.gz JMAKOQFQVWZBLZ-CYBMUJFWSA-N 2 0 258.410 -0.912 20 0 CBADRP CC(C)(C)[C@H](O)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246055139 825630496 /nfs/dbraw/zinc/63/04/96/825630496.db2.gz KRLCGZBYQSMCOB-CYBMUJFWSA-N 2 0 272.437 -0.522 20 0 CBADRP O[C@H](C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1)CC1(O)CC[NH2+]CC1 ZINC001246051457 825630663 /nfs/dbraw/zinc/63/06/63/825630663.db2.gz JNSKYIQSLXUNCV-ZNMIVQPWSA-N 3 0 297.443 -0.217 20 0 CBADRP O[C@H](CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1)CC1(O)CC[NH2+]CC1 ZINC001246062165 825631378 /nfs/dbraw/zinc/63/13/78/825631378.db2.gz XSWOTQQIECRSTK-ILXRZTDVSA-N 2 0 297.443 -0.074 20 0 CBADRP C(CN1CCOCC1)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246064696 825631695 /nfs/dbraw/zinc/63/16/95/825631695.db2.gz HYRYCZASDCFFLL-GFCCVEGCSA-N 2 0 254.378 -0.998 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1C[C@H](O)C[NH2+]C(C)(C)C ZINC001246064273 825631737 /nfs/dbraw/zinc/63/17/37/825631737.db2.gz LVMZIROLWBSHFG-AXFHLTTASA-N 2 0 273.377 -0.690 20 0 CBADRP O=C([C@@H]1C[C@H](NC2CC[NH2+]CC2)C[NH2+]1)N1CCSC1 ZINC001246077986 825633300 /nfs/dbraw/zinc/63/33/00/825633300.db2.gz LTFFFNPCTKTIQS-RYUDHWBXSA-N 2 0 284.429 -0.409 20 0 CBADRP O[C@@]1(C[NH2+][C@@H]2CCC3(C[NH2+]C3)C2)CC[NH2+]C[C@@H]1F ZINC001246079413 825633636 /nfs/dbraw/zinc/63/36/36/825633636.db2.gz DXNHRWCLRYBHLM-NTZNESFSSA-N 3 0 257.353 -0.219 20 0 CBADRP CCN1CC[C@@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)CC1=O ZINC001246085479 825633956 /nfs/dbraw/zinc/63/39/56/825633956.db2.gz WZJMYPAWRSNCOV-NTZNESFSSA-N 2 0 273.352 -0.351 20 0 CBADRP COC(=O)CC[C@@H](C)[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001246084979 825634008 /nfs/dbraw/zinc/63/40/08/825634008.db2.gz VBFDLSWRLCWDHS-JFGNBEQYSA-N 2 0 262.325 -0.020 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCN2CC[NH+](C)CC2)CN1 ZINC001246089013 825634673 /nfs/dbraw/zinc/63/46/73/825634673.db2.gz OGHMEYGDLXFUJI-OLZOCXBDSA-N 2 0 284.404 -0.883 20 0 CBADRP C(CN1CCCCO1)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246093665 825635131 /nfs/dbraw/zinc/63/51/31/825635131.db2.gz VTYCICLLRDRHDP-GFCCVEGCSA-N 2 0 254.378 -0.303 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CCCC[NH2+]C2)CN1 ZINC001246095526 825635133 /nfs/dbraw/zinc/63/51/33/825635133.db2.gz ITXCBTQMYDQULH-MBNYWOFBSA-N 2 0 285.388 -0.626 20 0 CBADRP O[C@@]1(C[NH2+][C@@H]2CCC[C@H](n3ncnn3)C2)CC[NH2+]C[C@@H]1F ZINC001246088030 825635300 /nfs/dbraw/zinc/63/53/00/825635300.db2.gz HPWYDNSWLXEJGK-MROQNXINSA-N 2 0 298.366 -0.191 20 0 CBADRP FC1(F)CN[C@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246093442 825635349 /nfs/dbraw/zinc/63/53/49/825635349.db2.gz OCUASNAXRKVZDZ-ZJUUUORDSA-N 2 0 260.332 -0.333 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CC2(C(=O)OC)CC[NH2+]CC2)CN1 ZINC001246099132 825635720 /nfs/dbraw/zinc/63/57/20/825635720.db2.gz WFWCMBIFCKEPCC-MNOVXSKESA-N 2 0 299.371 -0.978 20 0 CBADRP C(C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)COC1CC[NH2+]CC1 ZINC001246114556 825636212 /nfs/dbraw/zinc/63/62/12/825636212.db2.gz NQIDIRIOPJNYFM-CYBMUJFWSA-N 3 0 282.432 -0.171 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCCOC2CC[NH2+]CC2)CN1 ZINC001246113794 825636225 /nfs/dbraw/zinc/63/62/25/825636225.db2.gz KYSKEGDZNSTAEF-AAEUAGOBSA-N 2 0 285.388 -0.362 20 0 CBADRP O=C1C[C@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)CCN1 ZINC001246125121 825637190 /nfs/dbraw/zinc/63/71/90/825637190.db2.gz JHRGKCKBZZNNAN-VXGBXAGGSA-N 2 0 266.389 -0.271 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C[C@H]2C)CN1 ZINC001246116434 825637482 /nfs/dbraw/zinc/63/74/82/825637482.db2.gz FHJOKHFVICOHFV-KXNHARMFSA-N 2 0 255.362 -0.132 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001246127131 825637753 /nfs/dbraw/zinc/63/77/53/825637753.db2.gz KLNOFPHNFSLXBO-NEPJUHHUSA-N 3 0 266.389 -0.952 20 0 CBADRP Cc1nc(CC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)no1 ZINC001246120616 825637916 /nfs/dbraw/zinc/63/79/16/825637916.db2.gz NWQVSTOOSNYICN-JTQLQIEISA-N 2 0 251.334 -0.396 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CN1 ZINC001246135401 825638747 /nfs/dbraw/zinc/63/87/47/825638747.db2.gz SCEAQMCCBBXDEX-MOLYVOAJSA-N 2 0 283.372 -0.754 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246135370 825638807 /nfs/dbraw/zinc/63/88/07/825638807.db2.gz RXEAXZDGIKPRPT-GCHJQGSQSA-N 2 0 253.346 -0.665 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCOC23C[NH2+]C3)CN1 ZINC001246137487 825638866 /nfs/dbraw/zinc/63/88/66/825638866.db2.gz IWYCQGWUKHCKJY-TUAOUCFPSA-N 2 0 283.372 -0.752 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@]23C[NH2+]C[C@H]2COC3)CN1 ZINC001246137726 825639066 /nfs/dbraw/zinc/63/90/66/825639066.db2.gz ZXTHOAWHEGEBOU-OPDFLTKYSA-N 2 0 283.372 -0.894 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CN1 ZINC001246134948 825639168 /nfs/dbraw/zinc/63/91/68/825639168.db2.gz VTZFBFBEGPVSQY-MOLYVOAJSA-N 2 0 267.373 -0.132 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCOC23C[NH2+]C3)CN1 ZINC001246137489 825639492 /nfs/dbraw/zinc/63/94/92/825639492.db2.gz IWYCQGWUKHCKJY-WOPDTQHZSA-N 2 0 283.372 -0.752 20 0 CBADRP C1[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C12CC[NH2+]CC2 ZINC001246137924 825639927 /nfs/dbraw/zinc/63/99/27/825639927.db2.gz KJPZMUBELFIOLS-RYUDHWBXSA-N 3 0 250.390 -0.188 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(NC2CCC3(C[NH2+]C3)CC2)N1 ZINC001246141511 825640366 /nfs/dbraw/zinc/64/03/66/825640366.db2.gz DFPALELTDIVDRX-SMDDNHRTSA-N 2 0 264.373 -0.314 20 0 CBADRP C[C@@H]1CC[C@H](N[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)C[NH2+]1 ZINC001246140204 825640428 /nfs/dbraw/zinc/64/04/28/825640428.db2.gz GADBJAHQDMDYCM-OUAUKWLOSA-N 2 0 273.402 -0.754 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(N[C@@H]2CC3CC[NH+](CC3)C2)N1 ZINC001246140752 825640556 /nfs/dbraw/zinc/64/05/56/825640556.db2.gz BOKWSWKWSXFWBF-MBNYWOFBSA-N 2 0 264.373 -0.362 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)CN1 ZINC001246142036 825640570 /nfs/dbraw/zinc/64/05/70/825640570.db2.gz GRKOIJBNPKBKAC-GCHJQGSQSA-N 2 0 253.346 -0.523 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2[C@@H]3C[C@H]2C[NH2+]C3)CN1 ZINC001246144089 825640644 /nfs/dbraw/zinc/64/06/44/825640644.db2.gz BFSIFGPXVONBRR-LVEVGFFFSA-N 2 0 253.346 -0.523 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H]2[C@H]3C[NH2+]C[C@H]32)CN1 ZINC001246148602 825641095 /nfs/dbraw/zinc/64/10/95/825641095.db2.gz GGCBZBVKHJFCKO-NWBUJAPZSA-N 2 0 267.373 -0.275 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001246146198 825641218 /nfs/dbraw/zinc/64/12/18/825641218.db2.gz ZNSBLIYJICQLCA-CRWXNKLISA-N 3 0 280.416 -0.706 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CN1 ZINC001246146158 825641226 /nfs/dbraw/zinc/64/12/26/825641226.db2.gz ZAWDXUFGUWTEOV-PEDHHIEDSA-N 2 0 297.399 -0.506 20 0 CBADRP C[C@@H]1CC(N[C@]23CC[NH2+][C@H]2CC(=O)N3)C[C@@H](C)[NH2+]1 ZINC001246144502 825641246 /nfs/dbraw/zinc/64/12/46/825641246.db2.gz MPMSYVDLTBKDFD-PLKZCJTGSA-N 2 0 252.362 -0.317 20 0 CBADRP COC(=O)[C@H]1C[C@H](NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CN1 ZINC001246145304 825641482 /nfs/dbraw/zinc/64/14/82/825641482.db2.gz MEDWIQIJWSWXFW-FRRDWIJNSA-N 2 0 296.415 -0.646 20 0 CBADRP COC(=O)[C@H](CCCC[NH3+])N[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246151644 825642045 /nfs/dbraw/zinc/64/20/45/825642045.db2.gz KIXVWGXBWGQXOP-RYUDHWBXSA-N 2 0 284.404 -0.659 20 0 CBADRP COCCC[NH+]1CCC(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)CC1 ZINC001246153931 825642525 /nfs/dbraw/zinc/64/25/25/825642525.db2.gz STMLPNMWXDHKTD-DZGCQCFKSA-N 2 0 296.415 -0.345 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)CN1 ZINC001246150900 825642668 /nfs/dbraw/zinc/64/26/68/825642668.db2.gz UQICIQLQPLQMNH-FHUSYTEZSA-N 2 0 283.372 -0.896 20 0 CBADRP COCCC[NH+]1CCC(N[C@]23CC[NH2+][C@H]2CC(=O)N3)CC1 ZINC001246153951 825642747 /nfs/dbraw/zinc/64/27/47/825642747.db2.gz STMLPNMWXDHKTD-ZFWWWQNUSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[NH+]1CCC(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)CC1 ZINC001246155480 825643079 /nfs/dbraw/zinc/64/30/79/825643079.db2.gz YSSSNQKZHMEZTP-DGCLKSJQSA-N 2 0 252.362 -0.362 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CO[C@]3(C2)CCC[NH2+]C3)CN1 ZINC001246157156 825643114 /nfs/dbraw/zinc/64/31/14/825643114.db2.gz QUVUNLFDSVYREL-ABHRYQDASA-N 2 0 297.399 -0.362 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@H]1CCCC[C@@]13CNCCO3)CCN2 ZINC001246157510 825643308 /nfs/dbraw/zinc/64/33/08/825643308.db2.gz BSXMMYVHEDUSBM-IJEWVQPXSA-N 2 0 294.443 -0.029 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)CN1 ZINC001246157159 825643652 /nfs/dbraw/zinc/64/36/52/825643652.db2.gz QUVUNLFDSVYREL-PWNZVWSESA-N 2 0 297.399 -0.362 20 0 CBADRP C[C@H]1C[C@@H](NCCC[NH+](CCO)CCO)CC[NH2+]1 ZINC001246163148 825644599 /nfs/dbraw/zinc/64/45/99/825644599.db2.gz WJBWGWNZIYWCTP-STQMWFEESA-N 2 0 259.394 -0.607 20 0 CBADRP O=C(C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)NCc1ccccc1 ZINC001246174817 825644671 /nfs/dbraw/zinc/64/46/71/825644671.db2.gz HXEVBLCFZJDGSP-AWEZNQCLSA-N 2 0 288.395 -0.014 20 0 CBADRP [NH3+]CCN(c1ncccn1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246171249 825644729 /nfs/dbraw/zinc/64/47/29/825644729.db2.gz LYPDMOBGGCVWJF-LLVKDONJSA-N 2 0 262.361 -0.664 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2COC3(C2)CC[NH2+]CC3)CN1 ZINC001246168599 825644730 /nfs/dbraw/zinc/64/47/30/825644730.db2.gz DZOZJKSQXMMQLZ-AGIUHOORSA-N 2 0 297.399 -0.219 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2COC3(C2)CC[NH2+]CC3)CN1 ZINC001246170187 825644758 /nfs/dbraw/zinc/64/47/58/825644758.db2.gz DZOZJKSQXMMQLZ-XQQFMLRXSA-N 2 0 297.399 -0.219 20 0 CBADRP C[C@H]1CC[C@H](NCCC[NH+](CCO)CCO)C[NH2+]1 ZINC001246162311 825644778 /nfs/dbraw/zinc/64/47/78/825644778.db2.gz ODDFGLANZFTXHB-STQMWFEESA-N 2 0 259.394 -0.607 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCC2(O)CC[NH2+]CC2)CN1 ZINC001246188927 825647974 /nfs/dbraw/zinc/64/79/74/825647974.db2.gz YDEAEIDGNZZFHW-NEPJUHHUSA-N 2 0 285.388 -0.626 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246186426 825648174 /nfs/dbraw/zinc/64/81/74/825648174.db2.gz XJEIGEBYXKPDQQ-LBELIVKGSA-N 2 0 267.373 -0.132 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC23CC[NH2+]CC3)CN1 ZINC001246189986 825648285 /nfs/dbraw/zinc/64/82/85/825648285.db2.gz ZJSJYWFQCKEMSL-SRVKXCTJSA-N 2 0 267.373 -0.131 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246186427 825648586 /nfs/dbraw/zinc/64/85/86/825648586.db2.gz XJEIGEBYXKPDQQ-SJHCENCUSA-N 2 0 267.373 -0.132 20 0 CBADRP O=C([C@@H]1C[C@H](NC[C@@H]2CCC[NH2+]C2)C[NH2+]1)N1CCSC1 ZINC001246196553 825649421 /nfs/dbraw/zinc/64/94/21/825649421.db2.gz GWVBJTZJFXVKKQ-AGIUHOORSA-N 2 0 298.456 -0.161 20 0 CBADRP NC(=[NH2+])N(C1CC[NH2+]CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246198656 825649552 /nfs/dbraw/zinc/64/95/52/825649552.db2.gz TUTZLQWHFIKXGP-NSHDSACASA-N 3 0 266.393 -0.972 20 0 CBADRP CS(=O)(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246214510 825651807 /nfs/dbraw/zinc/65/18/07/825651807.db2.gz IOSZEYOXVOXQRO-GARJFASQSA-N 2 0 273.402 -0.754 20 0 CBADRP COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246215353 825651818 /nfs/dbraw/zinc/65/18/18/825651818.db2.gz SPIYJIXRQHAVNE-DCAQKATOSA-N 2 0 285.392 -0.479 20 0 CBADRP O=C1C[C@@H]([NH2+]C2CN(C3CC[NH2+]CC3)C2)CCN1 ZINC001246214714 825652084 /nfs/dbraw/zinc/65/20/84/825652084.db2.gz KLXWKHGUXHQFCR-JTQLQIEISA-N 2 0 252.362 -0.709 20 0 CBADRP COCCC[NH+]1CCC(N[C@H]2CN[C@H](C(=O)OC)C2)CC1 ZINC001246218960 825652203 /nfs/dbraw/zinc/65/22/03/825652203.db2.gz AOISBCHCRIWGLI-KGLIPLIRSA-N 2 0 299.415 -0.020 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@H]2F)CN1 ZINC001246223912 825653324 /nfs/dbraw/zinc/65/33/24/825653324.db2.gz UTLDJQDHLMSJQM-MMWGEVLESA-N 2 0 259.325 -0.573 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)CN1 ZINC001246230929 825653854 /nfs/dbraw/zinc/65/38/54/825653854.db2.gz BBUHXSFCUMMTGY-KBPBESRZSA-N 2 0 299.415 -0.426 20 0 CBADRP O=S1(=O)CC[C@@H](C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246236300 825653966 /nfs/dbraw/zinc/65/39/66/825653966.db2.gz VKGJAWMTRPIPNS-QWRGUYRKSA-N 2 0 273.402 -0.895 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H](NC(=[NH2+])C2CC[NH2+]CC2)CN1 ZINC001246235006 825654293 /nfs/dbraw/zinc/65/42/93/825654293.db2.gz XMRICPNNEQLVFP-MNOVXSKESA-N 2 0 268.361 -0.154 20 0 CBADRP [NH3+]CCN(c1cccnc1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246234466 825654320 /nfs/dbraw/zinc/65/43/20/825654320.db2.gz DMDFWMUKLCHAME-GFCCVEGCSA-N 2 0 261.373 -0.059 20 0 CBADRP CN1C(=O)CC[C@@H]1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246229611 825654336 /nfs/dbraw/zinc/65/43/36/825654336.db2.gz KSZQTKSJHWIIIO-GHMZBOCLSA-N 2 0 252.362 -0.709 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCN2CC[NH+](C(C)C)CC2)CN1 ZINC001246236623 825654367 /nfs/dbraw/zinc/65/43/67/825654367.db2.gz NFSDBTGYFKRSNP-KBPBESRZSA-N 2 0 298.431 -0.495 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCN2CCC[N@H+](C)CC2)CN1 ZINC001246242495 825655705 /nfs/dbraw/zinc/65/57/05/825655705.db2.gz YCCYCBKIIUMWSA-OLZOCXBDSA-N 2 0 284.404 -0.883 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)CN1 ZINC001246248923 825656280 /nfs/dbraw/zinc/65/62/80/825656280.db2.gz PPXZPYHHKQJDNH-XQQFMLRXSA-N 2 0 297.399 -0.362 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CO[C@@]3(C2)CCC[NH2+]C3)CN1 ZINC001246255454 825656595 /nfs/dbraw/zinc/65/65/95/825656595.db2.gz KJPLNOGHJRCPIO-KZVDOYCCSA-N 2 0 283.372 -0.609 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CO[C@]3(C2)CCC[NH2+]C3)CN1 ZINC001246255456 825657123 /nfs/dbraw/zinc/65/71/23/825657123.db2.gz KJPLNOGHJRCPIO-OPDFLTKYSA-N 2 0 283.372 -0.609 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H](C)C2CC[NH2+]CC2)CN1 ZINC001246253581 825657127 /nfs/dbraw/zinc/65/71/27/825657127.db2.gz VFIMQNKMEWZCKS-JLLWLGSASA-N 2 0 255.362 -0.132 20 0 CBADRP [NH3+]CCCN1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246264645 825658380 /nfs/dbraw/zinc/65/83/80/825658380.db2.gz NUQITBABPFMRPA-ZDUSSCGKSA-N 3 0 267.421 -0.953 20 0 CBADRP [NH3+]CCCN1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246264643 825658457 /nfs/dbraw/zinc/65/84/57/825658457.db2.gz NUQITBABPFMRPA-CYBMUJFWSA-N 3 0 267.421 -0.953 20 0 CBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)O1 ZINC001246285174 825659294 /nfs/dbraw/zinc/65/92/94/825659294.db2.gz GMELZSAESHISGS-AAVRWANBSA-N 3 0 298.431 -0.605 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCCN(C)CCC[NH3+])CN1 ZINC001246285760 825659596 /nfs/dbraw/zinc/65/95/96/825659596.db2.gz VWEIVSINWRAPRM-NEPJUHHUSA-N 2 0 272.393 -0.850 20 0 CBADRP CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246290607 825660384 /nfs/dbraw/zinc/66/03/84/825660384.db2.gz GIQMWFHSJPGQRM-SRVKXCTJSA-N 2 0 252.362 -0.663 20 0 CBADRP OC[C@H]1C[NH2+]C[C@H]1NC1CCC([NH+]2CCOCC2)CC1 ZINC001246299480 825661728 /nfs/dbraw/zinc/66/17/28/825661728.db2.gz KZHXPJOXKTUWRC-XSCHDIRWSA-N 2 0 283.416 -0.200 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246298786 825662491 /nfs/dbraw/zinc/66/24/91/825662491.db2.gz FTMJRMXGDWRHLQ-IRCOFANPSA-N 2 0 255.362 -0.132 20 0 CBADRP c1nnnn1-c1ccccc1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246316108 825663298 /nfs/dbraw/zinc/66/32/98/825663298.db2.gz FXYVHWQCKGCPKM-ZDUSSCGKSA-N 2 0 299.382 -0.154 20 0 CBADRP CC[C@@H]([NH3+])CN[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246310986 825663736 /nfs/dbraw/zinc/66/37/36/825663736.db2.gz BLQQCCVUQQLAGH-MXWKQRLJSA-N 2 0 272.418 -0.423 20 0 CBADRP C[C@H]1COCCN1CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246324233 825664162 /nfs/dbraw/zinc/66/41/62/825664162.db2.gz FZZLMLPICLUVGZ-QWHCGFSZSA-N 2 0 268.405 -0.609 20 0 CBADRP Nc1ncc(CC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)s1 ZINC001246323168 825664179 /nfs/dbraw/zinc/66/41/79/825664179.db2.gz WATOQPHUDXNEME-SECBINFHSA-N 2 0 267.402 -0.049 20 0 CBADRP CN(C)C(=O)N1CCC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246327578 825664200 /nfs/dbraw/zinc/66/42/00/825664200.db2.gz SVQSHUWBOONBIV-ZDUSSCGKSA-N 2 0 295.431 -0.184 20 0 CBADRP OCC1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCSCC1 ZINC001246329004 825664433 /nfs/dbraw/zinc/66/44/33/825664433.db2.gz MTJCOTGTZIHMDG-NSHDSACASA-N 2 0 271.430 -0.072 20 0 CBADRP COC(=O)[C@@H](NC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001246327335 825664542 /nfs/dbraw/zinc/66/45/42/825664542.db2.gz INZUPLZHYLQRIL-LBPRGKRZSA-N 2 0 255.362 -0.131 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246330786 825665490 /nfs/dbraw/zinc/66/54/90/825665490.db2.gz UWOXSQAOZWVUKK-KXNHARMFSA-N 2 0 255.362 -0.132 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CCN2CCS(=O)(=O)CC2)CC[NH2+]1 ZINC001246333283 825665999 /nfs/dbraw/zinc/66/59/99/825665999.db2.gz KSZLGWCCNSJQHD-VXGBXAGGSA-N 2 0 275.418 -0.553 20 0 CBADRP C[C@H]1CC[C@H](NCCN(CC[NH3+])N(O)N=O)C[NH2+]1 ZINC001246349983 825667648 /nfs/dbraw/zinc/66/76/48/825667648.db2.gz ISGMYMWXZVUCQZ-UWVGGRQHSA-N 2 0 260.342 -0.735 20 0 CBADRP C[C@@H]1CC[C@@H](NCCN(CC[NH3+])N(O)N=O)C[NH2+]1 ZINC001246349980 825668173 /nfs/dbraw/zinc/66/81/73/825668173.db2.gz ISGMYMWXZVUCQZ-NXEZZACHSA-N 2 0 260.342 -0.735 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@H]1CCN(C3CCOCC3)C1)CCN2 ZINC001246362255 825668791 /nfs/dbraw/zinc/66/87/91/825668791.db2.gz OKKVHTWNPCSFGV-KGLIPLIRSA-N 2 0 294.443 -0.077 20 0 CBADRP COCCOCCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246357968 825668805 /nfs/dbraw/zinc/66/88/05/825668805.db2.gz WWALLRGLYUQMMG-LBPRGKRZSA-N 2 0 257.378 -0.277 20 0 CBADRP COCC1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCOCC1 ZINC001246367658 825669417 /nfs/dbraw/zinc/66/94/17/825669417.db2.gz AOHGFPZWZBLJHD-GFCCVEGCSA-N 2 0 269.389 -0.134 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])N[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246401959 825670102 /nfs/dbraw/zinc/67/01/02/825670102.db2.gz QOBXXCOAEMRNLC-QWRGUYRKSA-N 2 0 255.362 -0.001 20 0 CBADRP c1cnc(N2CC[C@@H]([NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)C2)cn1 ZINC001246371838 825670459 /nfs/dbraw/zinc/67/04/59/825670459.db2.gz WTVJSBOJKACXFF-CHWSQXEVSA-N 2 0 288.399 -0.261 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001246405422 825671255 /nfs/dbraw/zinc/67/12/55/825671255.db2.gz OTYFAYPNTFSICX-WOPDTQHZSA-N 2 0 295.391 -0.271 20 0 CBADRP CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246409296 825671695 /nfs/dbraw/zinc/67/16/95/825671695.db2.gz XXPRYTGVQUNHLK-QWHCGFSZSA-N 2 0 266.389 -0.462 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCN(C2CC2)C(=O)C1 ZINC001246413122 825671735 /nfs/dbraw/zinc/67/17/35/825671735.db2.gz GFOZNKPIRHHYIE-JQWIXIFHSA-N 2 0 282.388 -0.288 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)C1 ZINC001246413000 825671792 /nfs/dbraw/zinc/67/17/92/825671792.db2.gz DMEJFPQWRTTXTM-MXWKQRLJSA-N 2 0 271.361 -0.099 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001246413123 825671808 /nfs/dbraw/zinc/67/18/08/825671808.db2.gz GFOZNKPIRHHYIE-PWSUYJOCSA-N 2 0 282.388 -0.288 20 0 CBADRP COC(=O)CC[C@H](C)[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246412311 825671980 /nfs/dbraw/zinc/67/19/80/825671980.db2.gz BACSOJQMFJDXEM-UWVGGRQHSA-N 2 0 259.350 -0.099 20 0 CBADRP CC[C@@]1(C(=O)OC)C[C@H]([NH2+]CCCNCCC[NH3+])CN1 ZINC001246453415 825673559 /nfs/dbraw/zinc/67/35/59/825673559.db2.gz NULWZIAUAZFPEZ-JSGCOSHPSA-N 2 0 286.420 -0.412 20 0 CBADRP [NH3+]CCCNCCC[NH2+][C@H]1CSC2(C[NH2+]C2)C1 ZINC001246456652 825675222 /nfs/dbraw/zinc/67/52/22/825675222.db2.gz KYSCXGILIKUHBM-LLVKDONJSA-N 3 0 258.435 -0.248 20 0 CBADRP OC[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1cccnc1 ZINC001246475156 825675962 /nfs/dbraw/zinc/67/59/62/825675962.db2.gz SAHHNXYASAQAEK-OLZOCXBDSA-N 2 0 262.357 -0.201 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CCN1 ZINC001246477972 825676255 /nfs/dbraw/zinc/67/62/55/825676255.db2.gz RSKOBWUTBFUPFF-USZNOCQGSA-N 2 0 273.352 -0.183 20 0 CBADRP CC1(C)C(=O)NC[C@@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246494552 825677710 /nfs/dbraw/zinc/67/77/10/825677710.db2.gz HKRNAAOHVPDJLE-ZJUUUORDSA-N 2 0 252.362 -0.805 20 0 CBADRP CC[NH+](CC)CCNC(=[NH2+])N[C@@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246495709 825677791 /nfs/dbraw/zinc/67/77/91/825677791.db2.gz QKCBDLQFNDMFIT-NEPJUHHUSA-N 2 0 299.419 -0.264 20 0 CBADRP CN1CCC(CO)([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246513984 825678246 /nfs/dbraw/zinc/67/82/46/825678246.db2.gz ZGLOLCQKTDLFOI-LBPRGKRZSA-N 2 0 268.405 -0.873 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCN(C)CC1 ZINC001246513628 825678287 /nfs/dbraw/zinc/67/82/87/825678287.db2.gz UARBPRUUBXKEHQ-LBPRGKRZSA-N 2 0 256.394 -0.086 20 0 CBADRP CN1CCC(CO)([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246513983 825678369 /nfs/dbraw/zinc/67/83/69/825678369.db2.gz ZGLOLCQKTDLFOI-GFCCVEGCSA-N 2 0 268.405 -0.873 20 0 CBADRP C1CC1[C@@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C1C[NH2+]C1 ZINC001246517819 825678708 /nfs/dbraw/zinc/67/87/08/825678708.db2.gz MWLFENOBBXMBIQ-CHWSQXEVSA-N 3 0 250.390 -0.332 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246511486 825678750 /nfs/dbraw/zinc/67/87/50/825678750.db2.gz IYYLZEGODGYPLK-TUAOUCFPSA-N 2 0 256.394 -0.040 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246510122 825678788 /nfs/dbraw/zinc/67/87/88/825678788.db2.gz CVIMYSJIEJAPLG-QWRGUYRKSA-N 3 0 286.445 -0.333 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCS(=O)(=O)CC1 ZINC001246510022 825678921 /nfs/dbraw/zinc/67/89/21/825678921.db2.gz BJWYDQJFSIZDHN-NSHDSACASA-N 2 0 291.417 -0.603 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@H](C(C)C)C2C[NH2+]C2)CN1 ZINC001246513304 825678930 /nfs/dbraw/zinc/67/89/30/825678930.db2.gz CLYRBHIMMUHLHI-SDDRHHMPSA-N 2 0 255.362 -0.277 20 0 CBADRP C[C@@]1([NH3+])CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C1 ZINC001246526335 825680841 /nfs/dbraw/zinc/68/08/41/825680841.db2.gz ASTAULIGYMPAHK-GMXVVIOVSA-N 2 0 284.429 -0.327 20 0 CBADRP [NH3+]CC[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246528592 825681440 /nfs/dbraw/zinc/68/14/40/825681440.db2.gz AJNOMPVVCHAYPY-VXGBXAGGSA-N 3 0 254.378 -0.870 20 0 CBADRP CC(=O)N1CC[C@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)C1 ZINC001246546084 825682909 /nfs/dbraw/zinc/68/29/09/825682909.db2.gz YCMVKOADZUHVRC-STQMWFEESA-N 2 0 255.362 -0.217 20 0 CBADRP [NH3+]C[C@@]1(O)CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246546247 825682990 /nfs/dbraw/zinc/68/29/90/825682990.db2.gz ZDSXCCXXGCTMQT-GXTWGEPZSA-N 3 0 268.405 -0.744 20 0 CBADRP COC(=O)[C@]1(F)CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246548563 825684809 /nfs/dbraw/zinc/68/48/09/825684809.db2.gz IZOCEUWXAORKHV-MFKMUULPSA-N 2 0 271.336 -0.333 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)CCN1 ZINC001246565684 825685583 /nfs/dbraw/zinc/68/55/83/825685583.db2.gz ZJHJYWNUPPWYJK-VNHYZAJKSA-N 2 0 299.415 -0.154 20 0 CBADRP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H](n3ncnn3)C2)C[C@H]1O ZINC001246567472 825687487 /nfs/dbraw/zinc/68/74/87/825687487.db2.gz KXRFCOWPLZFHHE-DDHJBXDOSA-N 2 0 266.349 -0.449 20 0 CBADRP COC(=O)N1CCC([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246569152 825687747 /nfs/dbraw/zinc/68/77/47/825687747.db2.gz QPYXIUQZUNEZQT-GHMZBOCLSA-N 2 0 257.334 -0.389 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCN(C3CC3)C(=O)C2)C[C@H]1O ZINC001246578008 825689335 /nfs/dbraw/zinc/68/93/35/825689335.db2.gz DJGUMKBAACKLMI-MVWJERBFSA-N 2 0 253.346 -0.609 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CO1 ZINC001246578000 825689527 /nfs/dbraw/zinc/68/95/27/825689527.db2.gz CXHJAUFOCWLSNP-YFKTTZPYSA-N 2 0 272.345 -0.652 20 0 CBADRP COC(=O)C1CCC([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246579787 825691193 /nfs/dbraw/zinc/69/11/93/825691193.db2.gz GWODAWRIBKAYHL-POSLAHMBSA-N 2 0 256.346 -0.030 20 0 CBADRP C[C@]1(CO)C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1O ZINC001246593137 825692280 /nfs/dbraw/zinc/69/22/80/825692280.db2.gz RNDQGSMUMOSJAP-FRRDWIJNSA-N 2 0 269.389 -0.854 20 0 CBADRP C[C@]1(CO)C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC[C@H]1O ZINC001246593154 825692544 /nfs/dbraw/zinc/69/25/44/825692544.db2.gz RNDQGSMUMOSJAP-JHJVBQTASA-N 2 0 269.389 -0.854 20 0 CBADRP CCOC(=O)[C@H]1C[NH2+]CCN1[C@@H]1CCCC[NH2+]C1 ZINC001246598833 825693926 /nfs/dbraw/zinc/69/39/26/825693926.db2.gz ORBLNFIUXKUMSK-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246599683 825694429 /nfs/dbraw/zinc/69/44/29/825694429.db2.gz DGTUOWMAKOPTCP-SRVKXCTJSA-N 2 0 255.362 -0.036 20 0 CBADRP CCOC(=O)[C@H]1C[NH2+]CCN1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246599681 825694532 /nfs/dbraw/zinc/69/45/32/825694532.db2.gz DGTUOWMAKOPTCP-IJLUTSLNSA-N 2 0 255.362 -0.036 20 0 CBADRP O=C1C[C@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)CCN1 ZINC001246600075 825694556 /nfs/dbraw/zinc/69/45/56/825694556.db2.gz FIPNJOIGSATZFH-LLVKDONJSA-N 2 0 252.362 -0.708 20 0 CBADRP O[C@H]1COC2(C1)CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246612159 825695797 /nfs/dbraw/zinc/69/57/97/825695797.db2.gz FPMRQLQQECQTFO-QWHCGFSZSA-N 2 0 281.400 -0.304 20 0 CBADRP C[C@@H]1C[C@H](N2CC(=O)NC[C@@]23CC[NH2+]C3)CC[NH2+]1 ZINC001246622339 825696757 /nfs/dbraw/zinc/69/67/57/825696757.db2.gz QMFMOPJTCDKLJS-WZRBSPASSA-N 2 0 252.362 -0.709 20 0 CBADRP C[C@@H]1C[C@@H](N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CC[NH2+]1 ZINC001246623130 825696896 /nfs/dbraw/zinc/69/68/96/825696896.db2.gz BEEFLXBDUYESSU-XUJVJEKNSA-N 2 0 278.400 -0.462 20 0 CBADRP C1C[C@]2(C[NH2+]1)CNCCN2[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246625190 825697185 /nfs/dbraw/zinc/69/71/85/825697185.db2.gz PQHKVKMLZRFEGH-DGAVXFQQSA-N 2 0 250.390 -0.378 20 0 CBADRP O=C1CN(C2CC[NH2+]CC2)CC2(CC[NH2+]CC2)N1 ZINC001246624002 825697349 /nfs/dbraw/zinc/69/73/49/825697349.db2.gz CGOJRONPYFCQOY-UHFFFAOYSA-N 2 0 252.362 -0.708 20 0 CBADRP [NH3+]CC1(F)CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246624943 825697253 /nfs/dbraw/zinc/69/72/53/825697253.db2.gz GPXHCSVZOGTEGR-LLVKDONJSA-N 3 0 256.369 -0.157 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCO[C@@H]3C[NH2+]CC[C@@H]3C1)CCN2 ZINC001246630706 825698074 /nfs/dbraw/zinc/69/80/74/825698074.db2.gz KUGOZJMJDMHFJP-MGPQQGTHSA-N 3 0 280.416 -0.609 20 0 CBADRP COC(=O)[C@@]12COC[C@@H]1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246637889 825699332 /nfs/dbraw/zinc/69/93/32/825699332.db2.gz AFTSLPYQSJCCGM-HUBLWGQQSA-N 2 0 295.383 -0.798 20 0 CBADRP COC(=O)[C@@]12COC[C@@H]1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246637896 825699611 /nfs/dbraw/zinc/69/96/11/825699611.db2.gz AFTSLPYQSJCCGM-ZOWXZIJZSA-N 2 0 295.383 -0.798 20 0 CBADRP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246646672 825702381 /nfs/dbraw/zinc/70/23/81/825702381.db2.gz XDABKEGCLFDMTL-UKRRQHHQSA-N 2 0 296.415 -0.739 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CCO[C@@H]3CC[NH2+]C[C@@H]31)CCN2 ZINC001246646816 825703029 /nfs/dbraw/zinc/70/30/29/825703029.db2.gz OLLNVYLPSHHXSF-FRRDWIJNSA-N 2 0 266.389 -0.857 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1C[C@H]3CCC[NH2+][C@H]3C1)CCN2 ZINC001246660515 825703647 /nfs/dbraw/zinc/70/36/47/825703647.db2.gz UTKHJMHRVQNKBF-AGIUHOORSA-N 3 0 250.390 -0.236 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCC[NH2+]C1 ZINC001246675768 825704702 /nfs/dbraw/zinc/70/47/02/825704702.db2.gz ZQSZTXDHXHPCTI-QNWHQSFQSA-N 2 0 267.373 -0.036 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C1CC[NH2+]CC1 ZINC001246671100 825705519 /nfs/dbraw/zinc/70/55/19/825705519.db2.gz GZOCBEHPNSVTQN-WCFLWFBJSA-N 2 0 267.373 -0.036 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)CN1 ZINC001246682393 825706017 /nfs/dbraw/zinc/70/60/17/825706017.db2.gz CEOOVTFMROIYCJ-XLFUENPSSA-N 2 0 295.383 -0.657 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH+]1CCC3(CC1)OCCO3)CCN2 ZINC001246679359 825706186 /nfs/dbraw/zinc/70/61/86/825706186.db2.gz VWQKGPYFHHBJEU-LBPRGKRZSA-N 2 0 267.373 -0.081 20 0 CBADRP C1[NH2+]CC1[C@@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246678948 825706566 /nfs/dbraw/zinc/70/65/66/825706566.db2.gz OSSCIACOTOONED-YPMHNXCESA-N 3 0 250.390 -0.378 20 0 CBADRP C1[NH2+]CC1[C@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246678947 825706800 /nfs/dbraw/zinc/70/68/00/825706800.db2.gz OSSCIACOTOONED-WCQYABFASA-N 3 0 250.390 -0.378 20 0 CBADRP CN([C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@H]1CCC[NH2+]C1 ZINC001246678331 825706850 /nfs/dbraw/zinc/70/68/50/825706850.db2.gz LUEDCGWLYZSSRE-XQQFMLRXSA-N 2 0 298.456 -0.066 20 0 CBADRP COC1C[C@@H]2COC[C@H](C1)[N@@H+]2[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246761064 825709047 /nfs/dbraw/zinc/70/90/47/825709047.db2.gz RXWBAZNJMBDILR-ICIURTGMSA-N 2 0 281.400 -0.041 20 0 CBADRP COC(=O)[C@@H]1C[C@H](N(CC[NH+](C)C)CC[NH+](C)C)CN1 ZINC001246783172 825710136 /nfs/dbraw/zinc/71/01/36/825710136.db2.gz NUABCYATIZDBEM-STQMWFEESA-N 2 0 286.420 -0.685 20 0 CBADRP CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246786834 825710230 /nfs/dbraw/zinc/71/02/30/825710230.db2.gz ARMRKOXZYYDGGD-CHWSQXEVSA-N 2 0 266.389 -0.319 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](C[NH3+])C2)CN1 ZINC001246779697 825710604 /nfs/dbraw/zinc/71/06/04/825710604.db2.gz IOJSCPRYMSYADB-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(C1CC1)N1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246787742 825710870 /nfs/dbraw/zinc/71/08/70/825710870.db2.gz MLPJGRGFZCMMNH-ZDUSSCGKSA-N 2 0 278.400 -0.365 20 0 CBADRP CC1(C)C(=O)NCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246788760 825710878 /nfs/dbraw/zinc/71/08/78/825710878.db2.gz IZEYYVSQIWFGHI-SNVBAGLBSA-N 2 0 252.362 -0.709 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246792596 825712133 /nfs/dbraw/zinc/71/21/33/825712133.db2.gz AIQXESOVBLILTE-QWHCGFSZSA-N 2 0 280.416 -0.119 20 0 CBADRP COc1ncnc2c1CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246798504 825712986 /nfs/dbraw/zinc/71/29/86/825712986.db2.gz UMCYFMZJRVYPLN-NSHDSACASA-N 2 0 289.383 -0.063 20 0 CBADRP CC1(C(N)=O)CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246805415 825713456 /nfs/dbraw/zinc/71/34/56/825713456.db2.gz UAMOWMRMFPSYGE-LLVKDONJSA-N 2 0 266.389 -0.332 20 0 CBADRP CC1(C)CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]1 ZINC001246818144 825714519 /nfs/dbraw/zinc/71/45/19/825714519.db2.gz WGNGQLOUYAFIPN-NEPJUHHUSA-N 2 0 298.456 -0.066 20 0 CBADRP C1CC2(C1)C[C@H](N1CC[NH2+]CCNCC[NH2+]CC1)CC[NH2+]2 ZINC001246820650 825715784 /nfs/dbraw/zinc/71/57/84/825715784.db2.gz KSDZURJAMSFNCS-OAHLLOKOSA-N 3 0 295.475 -0.255 20 0 CBADRP CC(C)[NH+]1CCC(N2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001246819536 825715837 /nfs/dbraw/zinc/71/58/37/825715837.db2.gz GTMZQFVRWWOCRN-UHFFFAOYSA-N 3 0 297.491 -0.056 20 0 CBADRP CC1(C)C[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)CO1 ZINC001246821090 825716182 /nfs/dbraw/zinc/71/61/82/825716182.db2.gz LGIWOLNVZAERSJ-CYBMUJFWSA-N 2 0 270.421 -0.362 20 0 CBADRP C1CC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)C[NH2+]C1 ZINC001246820359 825716648 /nfs/dbraw/zinc/71/66/48/825716648.db2.gz JUCSIJSGEBOJAS-CQSZACIVSA-N 3 0 269.437 -0.787 20 0 CBADRP C[C@H]1CC(N2CC[NH2+]CCNCC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC001246818926 825716658 /nfs/dbraw/zinc/71/66/58/825716658.db2.gz FBCFKPSFYJILMF-KBPBESRZSA-N 3 0 283.464 -0.400 20 0 CBADRP N=c1sc2c(n1[C@@H]1CCNC3(C[NH2+]C3)C1)CC[NH2+]C2 ZINC001246820308 825716743 /nfs/dbraw/zinc/71/67/43/825716743.db2.gz FORDXRAZFGYJOV-SECBINFHSA-N 2 0 279.413 -0.059 20 0 CBADRP CC(C)[C@H]1C[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)CC[NH2+]1 ZINC001246823793 825717086 /nfs/dbraw/zinc/71/70/86/825717086.db2.gz WOKXEIZPYILJLO-HZPDHXFCSA-N 3 0 297.491 -0.153 20 0 CBADRP CC(C)[C@H]1C[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)CC[NH2+]1 ZINC001246823796 825717111 /nfs/dbraw/zinc/71/71/11/825717111.db2.gz WOKXEIZPYILJLO-JKSUJKDBSA-N 3 0 297.491 -0.153 20 0 CBADRP C1C[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)CS1 ZINC001246822888 825717175 /nfs/dbraw/zinc/71/71/75/825717175.db2.gz TUBYZOZJAVEFRV-LBPRGKRZSA-N 2 0 258.435 -0.424 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](N2CCN(CCC[NH+](C)C)CC2)CN1 ZINC001246823408 825717475 /nfs/dbraw/zinc/71/74/75/825717475.db2.gz GGKYQVSHAGKIMY-KGLIPLIRSA-N 2 0 298.431 -0.541 20 0 CBADRP O[C@H]1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1(F)F ZINC001246826015 825717654 /nfs/dbraw/zinc/71/76/54/825717654.db2.gz ZQRHJJBGCXVKSH-ZJUUUORDSA-N 2 0 261.316 -0.218 20 0 CBADRP C1C[C@H]2C[C@H](N3CC[NH2+]CCNCC[NH2+]CC3)C[C@@H]1[NH2+]2 ZINC001246822992 825717952 /nfs/dbraw/zinc/71/79/52/825717952.db2.gz UDPAORXJNIBZAO-QDMKHBRRSA-N 3 0 281.448 -0.646 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CN1 ZINC001246840608 825720295 /nfs/dbraw/zinc/72/02/95/825720295.db2.gz IYRXSVFOBCDZMF-XQHKEYJVSA-N 2 0 267.373 -0.227 20 0 CBADRP [NH3+][C@@H]1[C@@H]2CC[C@H]1CN([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246842385 825720436 /nfs/dbraw/zinc/72/04/36/825720436.db2.gz QPCSFAFXCYUNBX-RNJOBUHISA-N 2 0 250.390 -0.251 20 0 CBADRP COC(=O)[C@@H]1CC[C@H](N2C[C@H]3CC[C@@]3([NH3+])C2)CN1 ZINC001246855942 825722056 /nfs/dbraw/zinc/72/20/56/825722056.db2.gz WEUDLJDDRIGEGW-MPPDQPJWSA-N 2 0 253.346 -0.297 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246856576 825722398 /nfs/dbraw/zinc/72/23/98/825722398.db2.gz CSOFLLFUNADAQM-USZNOCQGSA-N 2 0 253.346 -0.569 20 0 CBADRP COC(=O)[C@@H]1CC[C@H](N2C[C@H]3CC[C@]3([NH3+])C2)CN1 ZINC001246855940 825722769 /nfs/dbraw/zinc/72/27/69/825722769.db2.gz WEUDLJDDRIGEGW-BLFANLJRSA-N 2 0 253.346 -0.297 20 0 CBADRP O=C1NCC[C@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]12 ZINC001246854985 825722858 /nfs/dbraw/zinc/72/28/58/825722858.db2.gz RRLKGARJKHXQIY-SDDRHHMPSA-N 2 0 264.373 -0.852 20 0 CBADRP Cn1cnc2c1CCN([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246854700 825723197 /nfs/dbraw/zinc/72/31/97/825723197.db2.gz FWXMYILDNVFASC-NSHDSACASA-N 2 0 261.373 -0.128 20 0 CBADRP CCOC(=O)[C@]12C[N@@H+]([C@H]3CCNC(=O)C3)C[C@H]1C[NH2+]CC2 ZINC001246859465 825724147 /nfs/dbraw/zinc/72/41/47/825724147.db2.gz PBXCDRHJPKKTRH-TYNCELHUSA-N 2 0 295.383 -0.260 20 0 CBADRP COC(=O)[C@H](N)C1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246865242 825724698 /nfs/dbraw/zinc/72/46/98/825724698.db2.gz SHZXTOJJSFIXDF-QWHCGFSZSA-N 2 0 296.415 -0.707 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246868404 825725213 /nfs/dbraw/zinc/72/52/13/825725213.db2.gz SPZDUXVYEDAPQA-MBYGNEARSA-N 2 0 251.330 -0.508 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH+]2CCC3(C[NH+](C)C3)CC2)CN1 ZINC001246874790 825727235 /nfs/dbraw/zinc/72/72/35/825727235.db2.gz LANDFZSMWXYGIG-NEPJUHHUSA-N 2 0 267.373 -0.083 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)CN1 ZINC001246872263 825727312 /nfs/dbraw/zinc/72/73/12/825727312.db2.gz QDCLCHJCQXVXAY-MJBXVCDLSA-N 2 0 296.415 -0.613 20 0 CBADRP CC(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246894073 825729227 /nfs/dbraw/zinc/72/92/27/825729227.db2.gz NCQUIEFKPWOZGW-RYUDHWBXSA-N 2 0 252.362 -0.709 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246907108 825729662 /nfs/dbraw/zinc/72/96/62/825729662.db2.gz PQNYKJBFQLXKEB-UTLUCORTSA-N 2 0 271.386 -0.592 20 0 CBADRP COC[C@@H]1COCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246914469 825731159 /nfs/dbraw/zinc/73/11/59/825731159.db2.gz LIPHPUPCGDDOSB-VXGBXAGGSA-N 2 0 255.362 -0.572 20 0 CBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@@H]1CCC[NH2+]CC1 ZINC001246917952 825731202 /nfs/dbraw/zinc/73/12/02/825731202.db2.gz CBTNYNDUHSHSLR-CYBMUJFWSA-N 3 0 285.436 -0.756 20 0 CBADRP C[C@H]1C[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CC[NH2+]1 ZINC001246919655 825731831 /nfs/dbraw/zinc/73/18/31/825731831.db2.gz JOPXXAMUGDJGGK-QWHCGFSZSA-N 3 0 285.436 -0.757 20 0 CBADRP C[C@@H]1C[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CC[NH2+]1 ZINC001246919642 825731868 /nfs/dbraw/zinc/73/18/68/825731868.db2.gz JOPXXAMUGDJGGK-CHWSQXEVSA-N 3 0 285.436 -0.757 20 0 CBADRP COC(=O)[C@@H]1CN([C@@H]2CSC3(C[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001246930023 825732735 /nfs/dbraw/zinc/73/27/35/825732735.db2.gz JPOAQLYPDRJQSD-IVZWLZJFSA-N 2 0 271.386 -0.734 20 0 CBADRP COC(=O)[C@H](N)[C@H]1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246928434 825732641 /nfs/dbraw/zinc/73/26/41/825732641.db2.gz ZMFLZWWFOSUJGY-YNEHKIRRSA-N 2 0 296.415 -0.707 20 0 CBADRP O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)N1 ZINC001246924834 825732759 /nfs/dbraw/zinc/73/27/59/825732759.db2.gz TZGUHGANSIPTJE-BVUQATHDSA-N 2 0 278.356 -0.057 20 0 CBADRP COCCN([C@H]1CCC[NH2+]C1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246926736 825733063 /nfs/dbraw/zinc/73/30/63/825733063.db2.gz DYUCSFJDSMXXPS-KBPBESRZSA-N 2 0 282.432 -0.219 20 0 CBADRP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C[C@@H]1N ZINC001246929431 825733075 /nfs/dbraw/zinc/73/30/75/825733075.db2.gz CYDLIQQXFJBKEP-MXWKQRLJSA-N 2 0 253.346 -0.439 20 0 CBADRP COC(=O)[C@H](N)[C@@H]1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246928431 825733270 /nfs/dbraw/zinc/73/32/70/825733270.db2.gz ZMFLZWWFOSUJGY-FRRDWIJNSA-N 2 0 296.415 -0.707 20 0 CBADRP COC(=O)[C@H]1CN(C2C[C@@H](C)[NH2+][C@H](C)C2)C[C@@H]1[NH3+] ZINC001246938655 825734324 /nfs/dbraw/zinc/73/43/24/825734324.db2.gz PWTIIMOGHLAZQC-LSKIRQOJSA-N 2 0 255.362 -0.053 20 0 CBADRP COC(=O)[C@@H]1C[N@@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H]1N ZINC001246931343 825734872 /nfs/dbraw/zinc/73/48/72/825734872.db2.gz NVEAAGAXAUVHRS-IYKVGLELSA-N 2 0 253.346 -0.584 20 0 CBADRP COC(=O)C1(O)CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246946051 825735421 /nfs/dbraw/zinc/73/54/21/825735421.db2.gz FFPOLEUDXHUUSA-LLVKDONJSA-N 2 0 283.372 -0.920 20 0 CBADRP Cn1cnc2c1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246947561 825735590 /nfs/dbraw/zinc/73/55/90/825735590.db2.gz ZYBXXQMBLOQKGM-LLVKDONJSA-N 2 0 261.373 -0.128 20 0 CBADRP c1ncnc(N2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)n1 ZINC001246950928 825736550 /nfs/dbraw/zinc/73/65/50/825736550.db2.gz XIACLZPYOGGRQQ-LBPRGKRZSA-N 2 0 289.387 -0.912 20 0 CBADRP CC[C@H]([NH3+])CN(C)[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246972199 825737258 /nfs/dbraw/zinc/73/72/58/825737258.db2.gz AYONNICHXJLIIR-TUAOUCFPSA-N 2 0 286.445 -0.081 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CN1 ZINC001246978198 825737355 /nfs/dbraw/zinc/73/73/55/825737355.db2.gz VCQNZQYKMCBJDI-HGCLJGPKSA-N 2 0 253.346 -0.441 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CN1 ZINC001246978201 825737803 /nfs/dbraw/zinc/73/78/03/825737803.db2.gz VCQNZQYKMCBJDI-SVNGYHJRSA-N 2 0 253.346 -0.441 20 0 CBADRP [NH3+][C@@H]1CCN(C2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246964296 825738035 /nfs/dbraw/zinc/73/80/35/825738035.db2.gz CFHOCROKCOBPTJ-HIFRSBDPSA-N 3 0 293.459 -0.422 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]12 ZINC001246972003 825738309 /nfs/dbraw/zinc/73/83/09/825738309.db2.gz CEGLQLGNHSBAPL-YVECIDJPSA-N 3 0 250.390 -0.251 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN([C@@H]1CCC[NH2+]C1)CC2 ZINC001246984791 825739538 /nfs/dbraw/zinc/73/95/38/825739538.db2.gz GQTOXZPSMQKMBB-BZPMIXESSA-N 2 0 267.373 -0.035 20 0 CBADRP FC(F)(F)[C@@H]1C[NH2+]CCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246985731 825739992 /nfs/dbraw/zinc/73/99/92/825739992.db2.gz BVESJHVBAGNXOC-ZJUUUORDSA-N 2 0 278.322 -0.084 20 0 CBADRP O=C1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]2CCCN12 ZINC001246993617 825740385 /nfs/dbraw/zinc/74/03/85/825740385.db2.gz OOPNJFIFTBQNLH-OLZOCXBDSA-N 2 0 278.400 -0.223 20 0 CBADRP COC(=O)CO[C@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246999737 825740919 /nfs/dbraw/zinc/74/09/19/825740919.db2.gz TUJBOAUFDBKPDT-RYUDHWBXSA-N 2 0 283.372 -0.656 20 0 CBADRP O[C@]1(c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)CC[NH2+]C1 ZINC001248738910 825746859 /nfs/dbraw/zinc/74/68/59/825746859.db2.gz APERQHGKALZNNK-CQSZACIVSA-N 2 0 287.323 -0.042 20 0 CBADRP CN1CCO[C@@H](CNC(=S)NCC[NH+](C)C)C1 ZINC001249843880 825749812 /nfs/dbraw/zinc/74/98/12/825749812.db2.gz YYLJFKPSPSTSCM-JTQLQIEISA-N 2 0 260.407 -0.657 20 0 CBADRP C[NH+](C)CCNC(=S)NCC[N@@H+]1CCC[C@@H](O)C1 ZINC001249849653 825750846 /nfs/dbraw/zinc/75/08/46/825750846.db2.gz PFAIZQHOGKVLOB-LLVKDONJSA-N 2 0 274.434 -0.531 20 0 CBADRP CCOC[C@H](O)C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001252030006 825812173 /nfs/dbraw/zinc/81/21/73/825812173.db2.gz ATBMJTCZHTZCGC-CQSZACIVSA-N 2 0 273.421 -0.047 20 0 CBADRP CCOC[C@H](O)C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001252029810 825812372 /nfs/dbraw/zinc/81/23/72/825812372.db2.gz WZOGAZFZUCINPR-CYBMUJFWSA-N 2 0 287.404 -0.520 20 0 CBADRP CCOC[C@H](O)C[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001252043778 825814046 /nfs/dbraw/zinc/81/40/46/825814046.db2.gz JRGFUODRZPUKBI-CQSZACIVSA-N 2 0 273.421 -0.001 20 0 CBADRP COC(=O)[C@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001252417739 825845739 /nfs/dbraw/zinc/84/57/39/825845739.db2.gz MKCKROLCTADDRY-YNEHKIRRSA-N 2 0 285.388 -0.770 20 0 CBADRP COC(=O)[C@@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001252417737 825846118 /nfs/dbraw/zinc/84/61/18/825846118.db2.gz MKCKROLCTADDRY-XQQFMLRXSA-N 2 0 285.388 -0.770 20 0 CBADRP COC[C@@H](O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001252816310 825890041 /nfs/dbraw/zinc/89/00/41/825890041.db2.gz BSLXJBXBDPELNF-AWEZNQCLSA-N 2 0 271.405 -0.295 20 0 CBADRP C[NH+](C)CCN1CC[N@H+](CC2(O)CCOCC2)CCC1=O ZINC001252963637 825896538 /nfs/dbraw/zinc/89/65/38/825896538.db2.gz VRPCFDOUTPAEJK-UHFFFAOYSA-N 2 0 299.415 -0.376 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@H]1CCNC(=O)C1 ZINC001253175232 825900946 /nfs/dbraw/zinc/90/09/46/825900946.db2.gz GVVYQOCCNNZKBR-RYUDHWBXSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(C)=O)C1 ZINC001253210891 825906401 /nfs/dbraw/zinc/90/64/01/825906401.db2.gz PMGWNOPCDLTNQM-AVGNSLFASA-N 2 0 257.378 -0.054 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@H]1CCCC(=O)N1 ZINC001253216214 825906830 /nfs/dbraw/zinc/90/68/30/825906830.db2.gz KRXQNIDZFIIILI-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)CNCC[N@@H+]1CCC[C@H](O)C1 ZINC001253407156 825913352 /nfs/dbraw/zinc/91/33/52/825913352.db2.gz FKOFTZWZOCPCEM-STQMWFEESA-N 2 0 273.421 -0.218 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C[C@H]1CCCC(=O)N1 ZINC001253412416 825914576 /nfs/dbraw/zinc/91/45/76/825914576.db2.gz HGJGLFCTGVPTDT-MNOVXSKESA-N 2 0 257.378 -0.006 20 0 CBADRP COC(=O)c1cn(CCCC[NH2+]CCC[NH3+])nn1 ZINC001254162917 825946902 /nfs/dbraw/zinc/94/69/02/825946902.db2.gz JPOJAOVWNVPBME-UHFFFAOYSA-N 2 0 255.322 -0.217 20 0 CBADRP CC(=O)N1CCC([NH+]2CCN(CCC[NH3+])CC2)CC1 ZINC001254418199 825962031 /nfs/dbraw/zinc/96/20/31/825962031.db2.gz RPAONIMECFIOCJ-UHFFFAOYSA-N 2 0 268.405 -0.036 20 0 CBADRP COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@H]1CCC[N@H+](C)CC1 ZINC001254504033 825964383 /nfs/dbraw/zinc/96/43/83/825964383.db2.gz RLWPQOPUODHGAT-RYUDHWBXSA-N 2 0 299.419 -0.135 20 0 CBADRP [NH3+]CCN(CC[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1)N(O)N=O ZINC001254933137 825972338 /nfs/dbraw/zinc/97/23/38/825972338.db2.gz DKPDSYASIUZGQC-UWVGGRQHSA-N 2 0 285.348 -0.118 20 0 CBADRP COC(=O)[C@H](N)Cc1cn([C@@H]2CC[N@H+](C)C2)cn1 ZINC001255425310 825982864 /nfs/dbraw/zinc/98/28/64/825982864.db2.gz CXRKYCHLWAZZHC-GHMZBOCLSA-N 2 0 252.318 -0.198 20 0 CBADRP COC(=O)CNC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255670531 825992513 /nfs/dbraw/zinc/99/25/13/825992513.db2.gz UEHRVQJUPIFIOM-YOGCLGLASA-N 2 0 283.372 -0.120 20 0 CBADRP C[C@H](CC(=O)N1CCOCC1)[NH2+]CCOCC[NH3+] ZINC001256321817 826009901 /nfs/dbraw/zinc/00/99/01/826009901.db2.gz QFENYSFBMBQOHW-LLVKDONJSA-N 2 0 259.350 -0.811 20 0 CBADRP C[C@@H](CC(=O)N1CCOCC1)[NH+]1CCN(CCC[NH3+])CC1 ZINC001256326784 826011329 /nfs/dbraw/zinc/01/13/29/826011329.db2.gz SZABEGXCWCWYBN-AWEZNQCLSA-N 2 0 298.431 -0.410 20 0 CBADRP C[N@@H+]1CCCN(CC[NH2+]C2CCS(=O)(=O)CC2)CC1 ZINC001256380519 826020664 /nfs/dbraw/zinc/02/06/64/826020664.db2.gz WONKABYAHXTHRS-UHFFFAOYSA-N 2 0 289.445 -0.209 20 0 CBADRP CNC(=O)C[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256677287 826029410 /nfs/dbraw/zinc/02/94/10/826029410.db2.gz AWFNBYZTAPMSPU-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]CCc1nnn(C2CCC([NH+]3CCOCC3)CC2)n1 ZINC001256679940 826030287 /nfs/dbraw/zinc/03/02/87/826030287.db2.gz WHJPCJMSRSUVMQ-UHFFFAOYSA-N 2 0 280.376 -0.010 20 0 CBADRP [NH3+]CC1(NC2CCC([NH+]3CCOCC3)CC2)COC1 ZINC001256679948 826030646 /nfs/dbraw/zinc/03/06/46/826030646.db2.gz WLFAJYUHHOMLLA-UHFFFAOYSA-N 2 0 269.389 -0.053 20 0 CBADRP COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC001257925011 826054106 /nfs/dbraw/zinc/05/41/06/826054106.db2.gz GEEOOPRFEOWGCH-MNOVXSKESA-N 2 0 294.417 -0.073 20 0 CBADRP CCC[NH+]1CCC([NH2+]C[C@H]2CNC(=O)CO2)CC1 ZINC001258767146 826068855 /nfs/dbraw/zinc/06/88/55/826068855.db2.gz UMPDJAPGBRRVQM-LBPRGKRZSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[NH+](CC)CCC[C@H](C)[NH2+]CC(=O)NCC(N)=O ZINC001258908014 826069387 /nfs/dbraw/zinc/06/93/87/826069387.db2.gz VGPMZQCZRHJLMG-NSHDSACASA-N 2 0 272.393 -0.312 20 0 CBADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CNC(=O)CO2)CC1 ZINC001258767145 826070201 /nfs/dbraw/zinc/07/02/01/826070201.db2.gz UMPDJAPGBRRVQM-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](CC(N)=O)C(N)=O ZINC001258904701 826070338 /nfs/dbraw/zinc/07/03/38/826070338.db2.gz KKHHTRIDEATCCT-QWRGUYRKSA-N 2 0 272.393 -0.184 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1(C)CC1 ZINC001261101901 826485311 /nfs/dbraw/zinc/48/53/11/826485311.db2.gz DURSOJRAVYXTRA-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC001261383556 826508841 /nfs/dbraw/zinc/50/88/41/826508841.db2.gz OXSABSUCIDXFTJ-GFCCVEGCSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[C@@H](C)[NH2+]C ZINC001261380790 826508951 /nfs/dbraw/zinc/50/89/51/826508951.db2.gz REIAVYSCUYTQHP-VXGBXAGGSA-N 2 0 286.420 -0.053 20 0 CBADRP C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1cn[nH]c1 ZINC001261436333 826513093 /nfs/dbraw/zinc/51/30/93/826513093.db2.gz YHXAQZMTSWIPET-YPMHNXCESA-N 2 0 267.377 -0.331 20 0 CBADRP C[NH2+]CCCN(C)C(=O)c1cn(CCCC[NH3+])nn1 ZINC001261474933 826519729 /nfs/dbraw/zinc/51/97/29/826519729.db2.gz MBSIFVLIVAPHKL-UHFFFAOYSA-N 2 0 268.365 -0.302 20 0 CBADRP CC(C)[C@@H](O)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001261482404 826521100 /nfs/dbraw/zinc/52/11/00/826521100.db2.gz LFFYLNILZJCDPK-OLZOCXBDSA-N 2 0 259.394 -0.799 20 0 CBADRP CC(C)([NH3+])c1noc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)n1 ZINC001261492749 826524820 /nfs/dbraw/zinc/52/48/20/826524820.db2.gz SOWORSRTCHETPF-LLVKDONJSA-N 2 0 294.403 -0.257 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001261493546 826525353 /nfs/dbraw/zinc/52/53/53/826525353.db2.gz HAOJRQUASXLPFI-WCQYABFASA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH2+]CC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001261530473 826534661 /nfs/dbraw/zinc/53/46/61/826534661.db2.gz FFUQEKCNXBTSTD-SDDRHHMPSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC001261554924 826539777 /nfs/dbraw/zinc/53/97/77/826539777.db2.gz RBYYTUBMWQDJFL-SDDRHHMPSA-N 2 0 282.388 -0.750 20 0 CBADRP [NH3+]CCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001261632064 826548687 /nfs/dbraw/zinc/54/86/87/826548687.db2.gz OFVKIRJMHGDNDF-LLVKDONJSA-N 2 0 256.350 -0.502 20 0 CBADRP O=C(C[N@H+]1CCCC[C@@H]1CCO)N1CC[NH2+]CC1 ZINC001261642950 826553424 /nfs/dbraw/zinc/55/34/24/826553424.db2.gz ZZBCUTADGCUEGR-GFCCVEGCSA-N 2 0 255.362 -0.345 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H](C)C[NH3+])CC1 ZINC001261644092 826554245 /nfs/dbraw/zinc/55/42/45/826554245.db2.gz PCOGHPPWABBUTD-LLVKDONJSA-N 2 0 284.404 -0.312 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001261645251 826555279 /nfs/dbraw/zinc/55/52/79/826555279.db2.gz ZWTBBBJAEDJHSK-GFCCVEGCSA-N 2 0 296.415 -0.121 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001261645252 826555422 /nfs/dbraw/zinc/55/54/22/826555422.db2.gz ZWTBBBJAEDJHSK-LBPRGKRZSA-N 2 0 296.415 -0.121 20 0 CBADRP Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CCOCC[NH3+])n1 ZINC001261836543 826595019 /nfs/dbraw/zinc/59/50/19/826595019.db2.gz GCZGSQWKSNZDFV-VHSXEESVSA-N 2 0 256.306 -0.227 20 0 CBADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1COCCN1C ZINC001261836496 826595166 /nfs/dbraw/zinc/59/51/66/826595166.db2.gz DQIPFXJZPORULZ-CYDGBPFRSA-N 2 0 257.378 -0.341 20 0 CBADRP COCC[NH2+]CCc1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC001261847107 826596867 /nfs/dbraw/zinc/59/68/67/826596867.db2.gz JHXJXRBUHKFEEG-LBPRGKRZSA-N 2 0 269.349 -0.955 20 0 CBADRP COCC[NH2+]CCc1cn(C[C@H]2C[NH2+]CCO2)nn1 ZINC001261847106 826597884 /nfs/dbraw/zinc/59/78/84/826597884.db2.gz JHXJXRBUHKFEEG-GFCCVEGCSA-N 2 0 269.349 -0.955 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC001262035420 826626717 /nfs/dbraw/zinc/62/67/17/826626717.db2.gz JHNGGHXFNSAFSU-NSHDSACASA-N 2 0 267.333 -0.280 20 0 CBADRP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC001262039115 826627509 /nfs/dbraw/zinc/62/75/09/826627509.db2.gz IAHNPGADXPFXFE-KKOKHZNYSA-N 2 0 267.373 -0.132 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[NH2+]CCC12CCC2 ZINC001262042377 826627740 /nfs/dbraw/zinc/62/77/40/826627740.db2.gz KHBGWQHMSPEBPC-LLVKDONJSA-N 2 0 253.346 -0.281 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262062285 826629393 /nfs/dbraw/zinc/62/93/93/826629393.db2.gz VRCDOODBTOCYMI-YVECIDJPSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC001262059520 826629415 /nfs/dbraw/zinc/62/94/15/826629415.db2.gz BDYDJKWEOZJYRX-XHDPSFHLSA-N 2 0 294.399 -0.735 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC001262065082 826630111 /nfs/dbraw/zinc/63/01/11/826630111.db2.gz QYSXCLXQPKCAJU-MGCOHNPYSA-N 2 0 268.361 -0.950 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C[NH+]1CCCC1 ZINC001262068553 826630253 /nfs/dbraw/zinc/63/02/53/826630253.db2.gz DYGVXQZVMBFEJS-RWMBFGLXSA-N 2 0 296.415 -0.312 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001262068803 826631039 /nfs/dbraw/zinc/63/10/39/826631039.db2.gz LPIQZDWOOPLOOG-RWMBFGLXSA-N 2 0 296.415 -0.489 20 0 CBADRP CCN1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC001262117648 826638818 /nfs/dbraw/zinc/63/88/18/826638818.db2.gz UUOANFMMKRCTRW-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C)CC2)C[C@H]1CC[NH3+] ZINC001262542151 826703081 /nfs/dbraw/zinc/70/30/81/826703081.db2.gz RHQVNSYKHMKHRN-VXGBXAGGSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001262553697 826708152 /nfs/dbraw/zinc/70/81/52/826708152.db2.gz IIDOPDOEJMMHLV-NDMJEZRESA-N 2 0 255.362 -0.315 20 0 CBADRP C[NH+]1CCN(CC[NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC001262558581 826709320 /nfs/dbraw/zinc/70/93/20/826709320.db2.gz JXKLBJRXBSWBBR-LSDHHAIUSA-N 2 0 285.432 -0.265 20 0 CBADRP COC[C@H](O)C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC001262569061 826711129 /nfs/dbraw/zinc/71/11/29/826711129.db2.gz OXGCSGNKBFEZMX-CHWSQXEVSA-N 2 0 259.394 -0.391 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)N1CCNCC[NH2+]CC1 ZINC001262584746 826713375 /nfs/dbraw/zinc/71/33/75/826713375.db2.gz KXKCFSPCVWOPRF-GFCCVEGCSA-N 2 0 271.409 -0.292 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC001262584402 826714025 /nfs/dbraw/zinc/71/40/25/826714025.db2.gz BBFHRIVSDNYRJQ-AAEUAGOBSA-N 2 0 270.377 -0.255 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001262584642 826714057 /nfs/dbraw/zinc/71/40/57/826714057.db2.gz IISGQLWBBMIOHL-QJPTWQEYSA-N 2 0 252.362 -0.011 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N1CCNCC[NH2+]CC1 ZINC001262590971 826715281 /nfs/dbraw/zinc/71/52/81/826715281.db2.gz BEQQWESLDWYYKM-CHWSQXEVSA-N 2 0 283.420 -0.564 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C[NH+]1CCC(CO)CC1 ZINC001262613033 826719040 /nfs/dbraw/zinc/71/90/40/826719040.db2.gz SKCWJVFWJNWOQV-UHFFFAOYSA-N 2 0 257.378 -0.289 20 0 CBADRP CCC[NH2+]CCNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001263067594 826731636 /nfs/dbraw/zinc/73/16/36/826731636.db2.gz QXZHXMIWSCROMQ-NSHDSACASA-N 2 0 255.362 -0.129 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC001263097371 826737122 /nfs/dbraw/zinc/73/71/22/826737122.db2.gz UGRMCMCKONZHBQ-NWDGAFQWSA-N 2 0 254.378 -0.654 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1(C[NH3+])CC(O)C1 ZINC001263096642 826737065 /nfs/dbraw/zinc/73/70/65/826737065.db2.gz XKVJFFPSZGMWLE-DCBWTQNWSA-N 2 0 269.389 -0.114 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)CNCC[NH3+])C1 ZINC001263100249 826737087 /nfs/dbraw/zinc/73/70/87/826737087.db2.gz JFEBOYXENMMFMX-GFCCVEGCSA-N 2 0 256.394 -0.371 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC001263104250 826737853 /nfs/dbraw/zinc/73/78/53/826737853.db2.gz ATEPZSUZYAOWIH-HZSPNIEDSA-N 2 0 299.415 -0.114 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC001263104252 826737947 /nfs/dbraw/zinc/73/79/47/826737947.db2.gz ATEPZSUZYAOWIH-MGPQQGTHSA-N 2 0 299.415 -0.114 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CCSCCC[NH3+] ZINC001263103878 826738583 /nfs/dbraw/zinc/73/85/83/826738583.db2.gz PIEPROKFBORMTL-LBPRGKRZSA-N 2 0 288.461 -0.180 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N[C@@H]2CCC[NH2+]CC2)C1=O ZINC001263106330 826739152 /nfs/dbraw/zinc/73/91/52/826739152.db2.gz SBYKAEJEAXSJHO-VXGBXAGGSA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C[C@]2(O)CCC[NH2+]C2)CC[NH2+]1 ZINC001263106821 826739260 /nfs/dbraw/zinc/73/92/60/826739260.db2.gz GTIYLVWSIUYRMK-NQBHXWOUSA-N 2 0 255.362 -0.252 20 0 CBADRP [NH3+]C1CC(CC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC001263107747 826739311 /nfs/dbraw/zinc/73/93/11/826739311.db2.gz DXTAPGVNQPFXIK-BPCQOVAHSA-N 2 0 266.389 -0.380 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001263108166 826739470 /nfs/dbraw/zinc/73/94/70/826739470.db2.gz PTJORDRHKUKMRF-FDYHWXHSSA-N 2 0 296.415 -0.314 20 0 CBADRP [NH3+]CC1(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC(O)C1 ZINC001263108455 826739493 /nfs/dbraw/zinc/73/94/93/826739493.db2.gz XVHDLNHIEGWVIU-QRMWWUJWSA-N 2 0 267.373 -0.312 20 0 CBADRP O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1CCC[NH2+]CC1 ZINC001263106026 826739736 /nfs/dbraw/zinc/73/97/36/826739736.db2.gz ISESKMOUEDLVHM-CYBMUJFWSA-N 2 0 269.389 -0.051 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC001263109637 826740806 /nfs/dbraw/zinc/74/08/06/826740806.db2.gz BTWONWCFNKCTIQ-FXQIFTODSA-N 2 0 253.293 -0.699 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCC1CC[NH2+]CC1 ZINC001263151209 826743851 /nfs/dbraw/zinc/74/38/51/826743851.db2.gz VZYUGSZUTNKETQ-PWSUYJOCSA-N 2 0 257.378 -0.291 20 0 CBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001263151681 826744105 /nfs/dbraw/zinc/74/41/05/826744105.db2.gz IUXSCDJULQKSFJ-WDEREUQCSA-N 2 0 253.346 -0.438 20 0 CBADRP Cc1c(C[NH3+])c(NC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)nn1C ZINC001263153852 826744955 /nfs/dbraw/zinc/74/49/55/826744955.db2.gz ZITXYFXANDMRLU-DVVUODLYSA-N 2 0 263.345 -0.019 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001263156163 826745549 /nfs/dbraw/zinc/74/55/49/826745549.db2.gz OBUATKDOHNDHHO-OPRDCNLKSA-N 2 0 253.346 -0.393 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC12CC(C1)C[NH2+]2 ZINC001263160894 826746198 /nfs/dbraw/zinc/74/61/98/826746198.db2.gz QGMAZTYLFBWJBR-ATWGWHJKSA-N 2 0 264.373 -0.757 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)C1(C2CC[NH2+]CC2)CC1 ZINC001263170281 826748544 /nfs/dbraw/zinc/74/85/44/826748544.db2.gz MQFRDVLVWFPLRH-LBPRGKRZSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@]1(C)C[C@H](O)C[NH2+]1)C2 ZINC001263169828 826748557 /nfs/dbraw/zinc/74/85/57/826748557.db2.gz YZOSWBMLVGLXHV-DEQVHRJGSA-N 2 0 267.373 -0.443 20 0 CBADRP [NH3+]CCc1ccccc1C(=O)N1CCNCC[NH2+]CC1 ZINC001263211230 826753684 /nfs/dbraw/zinc/75/36/84/826753684.db2.gz JPPGUXXBCQAFLB-UHFFFAOYSA-N 2 0 276.384 -0.177 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)C1 ZINC001263212181 826753899 /nfs/dbraw/zinc/75/38/99/826753899.db2.gz MDRKSYSECRVCNY-FPMFFAJLSA-N 2 0 267.373 -0.312 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001263210168 826754038 /nfs/dbraw/zinc/75/40/38/826754038.db2.gz DDQVCMZVFCZHOF-GFCCVEGCSA-N 2 0 254.378 -0.650 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC[C@H]1C[NH3+] ZINC001263214786 826754757 /nfs/dbraw/zinc/75/47/57/826754757.db2.gz WDONROKIFTXTBP-NTZNESFSSA-N 2 0 255.362 -0.192 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001263216128 826754854 /nfs/dbraw/zinc/75/48/54/826754854.db2.gz AXFORMKPILZVSR-GXSJLCMTSA-N 2 0 263.345 -0.440 20 0 CBADRP CSCC[C@H]([NH3+])C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001263213104 826754864 /nfs/dbraw/zinc/75/48/64/826754864.db2.gz MFOAHYIQNDJHDY-ONGXEEELSA-N 2 0 261.391 -0.621 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)[C@H]2[NH2+]CC23CCOCC3)C1 ZINC001263226307 826755792 /nfs/dbraw/zinc/75/57/92/826755792.db2.gz OYRVWWAJRJMRNN-QJPTWQEYSA-N 2 0 267.373 -0.001 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001263250719 826758570 /nfs/dbraw/zinc/75/85/70/826758570.db2.gz PCTOYBAGBBVLEO-UTUOFQBUSA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NC1(C2CC[NH2+]CC2)CC1 ZINC001263247220 826758787 /nfs/dbraw/zinc/75/87/87/826758787.db2.gz PTHOIDHMOYXTEQ-UHFFFAOYSA-N 2 0 266.389 -0.460 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001263250717 826758864 /nfs/dbraw/zinc/75/88/64/826758864.db2.gz PCTOYBAGBBVLEO-SRVKXCTJSA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH2+]CCCCC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001263318255 826763417 /nfs/dbraw/zinc/76/34/17/826763417.db2.gz DZFCXGZVZOURRE-DZGCQCFKSA-N 2 0 299.415 -0.282 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2CCC[NH2+]CC2)C[NH2+]CCO1 ZINC001263322775 826764213 /nfs/dbraw/zinc/76/42/13/826764213.db2.gz WHPMWBMVKWAQBF-WCQYABFASA-N 2 0 255.362 -0.129 20 0 CBADRP CC[C@@H](C(=O)NCCC[N@H+](C)CC(=O)NC)[NH+](C)C ZINC001265037311 826838760 /nfs/dbraw/zinc/83/87/60/826838760.db2.gz VOZNITDMQTWFNC-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001265318990 826882898 /nfs/dbraw/zinc/88/28/98/826882898.db2.gz GPESSXUWNXXOST-RYUDHWBXSA-N 2 0 257.378 -0.102 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCO)C1CC1 ZINC001265350752 826883535 /nfs/dbraw/zinc/88/35/35/826883535.db2.gz XCQKCPXNNGHJLS-NEPJUHHUSA-N 2 0 255.362 -0.443 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CCO)C2CC2)CC1 ZINC001265370171 826886948 /nfs/dbraw/zinc/88/69/48/826886948.db2.gz LQBCEZLQRHZCNJ-CYBMUJFWSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C1)C(N)=O ZINC001265566718 826905389 /nfs/dbraw/zinc/90/53/89/826905389.db2.gz LANXGQWBDLBZFB-UTUOFQBUSA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001265572197 826905404 /nfs/dbraw/zinc/90/54/04/826905404.db2.gz ACNDFEFXFGPUIE-AOOOYVTPSA-N 2 0 256.350 -0.951 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCOCCO ZINC001265790661 826919275 /nfs/dbraw/zinc/91/92/75/826919275.db2.gz QERYOEPHVCIKEQ-QWHCGFSZSA-N 2 0 287.404 -0.426 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCOCCO ZINC001265864750 826930845 /nfs/dbraw/zinc/93/08/45/826930845.db2.gz WJSQDFGMDLNMBQ-NEPJUHHUSA-N 2 0 273.377 -0.959 20 0 CBADRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CCO ZINC001265870115 826931830 /nfs/dbraw/zinc/93/18/30/826931830.db2.gz JCLAAQVFEPVKSH-GFCCVEGCSA-N 2 0 257.378 -0.051 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH2+]CCCO)C1 ZINC001265945357 826939951 /nfs/dbraw/zinc/93/99/51/826939951.db2.gz KFAGIQKQMJTVGX-KBPBESRZSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@@H](O)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001266442318 827001752 /nfs/dbraw/zinc/00/17/52/827001752.db2.gz WXKIUOMGSJNEDU-DGCLKSJQSA-N 2 0 269.389 -0.053 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001266641456 827038318 /nfs/dbraw/zinc/03/83/18/827038318.db2.gz DCNLAQYSEPADRE-JOCQHMNTSA-N 2 0 296.415 -0.025 20 0 CBADRP CN(CC[NH2+]CC(=O)N1CCC1)C(=O)C1([NH+](C)C)CCC1 ZINC001266724238 827058248 /nfs/dbraw/zinc/05/82/48/827058248.db2.gz IZGQKHLXUSWCFZ-UHFFFAOYSA-N 2 0 296.415 -0.249 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1)[NH+](C)C ZINC001266725625 827059249 /nfs/dbraw/zinc/05/92/49/827059249.db2.gz NOOKHXMVPGQULS-TUAOUCFPSA-N 2 0 257.378 -0.198 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC001266853813 827075838 /nfs/dbraw/zinc/07/58/38/827075838.db2.gz UJTCURXVYUIZSF-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCOCCO ZINC001266985600 827104012 /nfs/dbraw/zinc/10/40/12/827104012.db2.gz NITOYFYJPSNRTI-GFCCVEGCSA-N 2 0 285.388 -0.815 20 0 CBADRP CN(CC[NH2+]Cc1cnnn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267071336 827112588 /nfs/dbraw/zinc/11/25/88/827112588.db2.gz FKIZMYDKKGSFLN-NSHDSACASA-N 2 0 280.376 -0.685 20 0 CBADRP CN(CC[NH2+]CCc1ccnn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267072335 827113134 /nfs/dbraw/zinc/11/31/34/827113134.db2.gz XVGIVBVZWJYVDN-CYBMUJFWSA-N 2 0 293.415 -0.038 20 0 CBADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001267144227 827118396 /nfs/dbraw/zinc/11/83/96/827118396.db2.gz VNRROFMTJCQLMM-GHMZBOCLSA-N 2 0 298.387 -0.772 20 0 CBADRP C[C@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001267275211 827142582 /nfs/dbraw/zinc/14/25/82/827142582.db2.gz UZCPANLFJXKKBB-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001267306111 827147346 /nfs/dbraw/zinc/14/73/46/827147346.db2.gz RHVHXJUHXZRCEZ-NSHDSACASA-N 2 0 268.361 -0.994 20 0 CBADRP CN(CC[NH2+]CC(N)=O)C(=O)C[N@H+](C)C1CCC1 ZINC001267384443 827163656 /nfs/dbraw/zinc/16/36/56/827163656.db2.gz UWBWCPMKCSSEQU-UHFFFAOYSA-N 2 0 256.350 -0.996 20 0 CBADRP CN(C)C(=O)C[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267456103 827173597 /nfs/dbraw/zinc/17/35/97/827173597.db2.gz LNWGSVACFWXJGM-LBPRGKRZSA-N 2 0 284.404 -0.536 20 0 CBADRP CNC(=O)C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001267459688 827173822 /nfs/dbraw/zinc/17/38/22/827173822.db2.gz YSCMIOPNCWJVFP-LBPRGKRZSA-N 2 0 272.393 -0.633 20 0 CBADRP CNC(=O)C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267459687 827173904 /nfs/dbraw/zinc/17/39/04/827173904.db2.gz YSCMIOPNCWJVFP-GFCCVEGCSA-N 2 0 272.393 -0.633 20 0 CBADRP CN(CCNCc1nncn1C)C(=O)C[NH+]1CCCC1 ZINC001267468932 827174901 /nfs/dbraw/zinc/17/49/01/827174901.db2.gz FJHYUBFATVYPLS-UHFFFAOYSA-N 2 0 280.376 -0.541 20 0 CBADRP CCN1CCO[C@H](C(=O)N(C)CC[NH2+]C[C@H](C)OC)C1 ZINC001267471259 827175628 /nfs/dbraw/zinc/17/56/28/827175628.db2.gz ANUABFXUOOYLOY-STQMWFEESA-N 2 0 287.404 -0.210 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](CCO)C2)CCC1 ZINC001267726158 827207056 /nfs/dbraw/zinc/20/70/56/827207056.db2.gz UCCQOIQLIOWIPK-NSHDSACASA-N 2 0 255.362 -0.347 20 0 CBADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCOCCO)C1 ZINC001267768024 827218092 /nfs/dbraw/zinc/21/80/92/827218092.db2.gz LPHXRGQABMSWMT-UONOGXRCSA-N 2 0 299.415 -0.378 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CCO ZINC001268010555 827240700 /nfs/dbraw/zinc/24/07/00/827240700.db2.gz PMPAUVVHPGKLFE-NSHDSACASA-N 2 0 255.362 -0.584 20 0 CBADRP C[C@@H](C[NH2+]CCn1cncn1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268099576 827257456 /nfs/dbraw/zinc/25/74/56/827257456.db2.gz GKWYXHLDIUELEM-QWHCGFSZSA-N 2 0 294.403 -0.334 20 0 CBADRP CN(CC[N@H+](C)CCO)C(=O)C12CCC[NH+]1CCC2 ZINC001268242294 827267335 /nfs/dbraw/zinc/26/73/35/827267335.db2.gz JVRWXMVBKXHSHL-UHFFFAOYSA-N 2 0 269.389 -0.003 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH+](C)CCO)C1 ZINC001268250284 827271998 /nfs/dbraw/zinc/27/19/98/827271998.db2.gz AMKYENVZMWPCBQ-GFCCVEGCSA-N 2 0 257.378 -0.289 20 0 CBADRP COCCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268298279 827282633 /nfs/dbraw/zinc/28/26/33/827282633.db2.gz MONHWNZAHUSMTK-RYUDHWBXSA-N 2 0 273.377 -0.816 20 0 CBADRP CCN1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC=C(C)C)C1 ZINC001268335066 827308799 /nfs/dbraw/zinc/30/87/99/827308799.db2.gz OKRLDTAAXZOOFD-ZIAGYGMSSA-N 2 0 299.415 -0.260 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CCOC2CCC2)C1 ZINC001268336514 827310035 /nfs/dbraw/zinc/31/00/35/827310035.db2.gz UOWSGZUGWPTKID-CHWSQXEVSA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@H](CC[NH2+]CCn1cncn1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268350301 827312463 /nfs/dbraw/zinc/31/24/63/827312463.db2.gz OOAHMOPHZRBGQZ-OLZOCXBDSA-N 2 0 294.403 -0.143 20 0 CBADRP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001268368340 827316968 /nfs/dbraw/zinc/31/69/68/827316968.db2.gz GTVXQGVZGYATTQ-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268422356 827324320 /nfs/dbraw/zinc/32/43/20/827324320.db2.gz AMAOZEWVSBPTPJ-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP CCN(CC[NH2+]CC(=O)NC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268497225 827342402 /nfs/dbraw/zinc/34/24/02/827342402.db2.gz HMVKGYDTYGTXSZ-LLVKDONJSA-N 2 0 270.377 -0.878 20 0 CBADRP C[C@@H]([NH2+]C/C=C\CNC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001268550915 827362763 /nfs/dbraw/zinc/36/27/63/827362763.db2.gz XADQQHXNZKUFOX-DLRQAJBASA-N 2 0 282.388 -0.394 20 0 CBADRP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]CCO)[NH+](C)C ZINC001268551348 827363569 /nfs/dbraw/zinc/36/35/69/827363569.db2.gz FPYGZRUEQYFVEJ-FJOGCWAESA-N 2 0 257.378 -0.173 20 0 CBADRP C[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001268572567 827366914 /nfs/dbraw/zinc/36/69/14/827366914.db2.gz BPUOUVINAMTKPB-AGFGORMFSA-N 2 0 296.415 -0.181 20 0 CBADRP C[NH+](C)CCC(=O)NC/C=C\C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268588411 827373831 /nfs/dbraw/zinc/37/38/31/827373831.db2.gz RILBCEDWKMMFFN-BYCRGOAPSA-N 2 0 296.371 -0.995 20 0 CBADRP C[NH+](C)CCC(=O)NC/C=C\C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268588412 827374641 /nfs/dbraw/zinc/37/46/41/827374641.db2.gz RILBCEDWKMMFFN-DLRQAJBASA-N 2 0 296.371 -0.995 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001268597388 827375635 /nfs/dbraw/zinc/37/56/35/827375635.db2.gz RYTAPXNGGFPLLW-DSYXLKISSA-N 2 0 296.415 -0.003 20 0 CBADRP C[C@H](C[NH2+]CCn1cncn1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268638978 827387865 /nfs/dbraw/zinc/38/78/65/827387865.db2.gz BOURXGDGFQNVKF-VXGBXAGGSA-N 2 0 280.376 -0.533 20 0 CBADRP C[C@H](C[NH2+]CCOCCO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268640177 827388465 /nfs/dbraw/zinc/38/84/65/827388465.db2.gz SBCZYPRUMVCMLE-VXGBXAGGSA-N 2 0 273.377 -0.816 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCO ZINC001268689033 827403720 /nfs/dbraw/zinc/40/37/20/827403720.db2.gz NPPGRPFEKBGZGE-RYUDHWBXSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@@H](C[N@H+](C)CCCO)NC(=O)C12CC[NH+](CC1)C2 ZINC001268752498 827419148 /nfs/dbraw/zinc/41/91/48/827419148.db2.gz PEQQQGNGMBBZTE-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268847234 827429670 /nfs/dbraw/zinc/42/96/70/827429670.db2.gz FZWGCLAGFOEJNE-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268946371 827443417 /nfs/dbraw/zinc/44/34/17/827443417.db2.gz NNPIKUUWTQMWFE-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP CN(CC(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1)C(N)=[NH2+] ZINC001268995861 827446636 /nfs/dbraw/zinc/44/66/36/827446636.db2.gz DCMMCYBTMVULCQ-CYBMUJFWSA-N 2 0 267.377 -0.244 20 0 CBADRP CN(CC(=O)N1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1)C(N)=[NH2+] ZINC001268997233 827447674 /nfs/dbraw/zinc/44/76/74/827447674.db2.gz XRAASXGUUDFAIZ-PHIMTYICSA-N 2 0 267.377 -0.388 20 0 CBADRP C[NH+]1CCC(OCC(=O)N[C@@H](C[NH2+]CCO)C2CC2)CC1 ZINC001269128925 827468047 /nfs/dbraw/zinc/46/80/47/827468047.db2.gz CXWKUPLCZREDBR-AWEZNQCLSA-N 2 0 299.415 -0.426 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CC[NH+]2CCCO)C1 ZINC001269332296 827494213 /nfs/dbraw/zinc/49/42/13/827494213.db2.gz PSDNFKVCLYPBOT-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP CC(C)[C@H](C(=O)NCC1([NH2+]CCO)CC1)[NH+](C)C ZINC001269485087 827514369 /nfs/dbraw/zinc/51/43/69/827514369.db2.gz ZGHSFVMNPJFPFP-LLVKDONJSA-N 2 0 257.378 -0.197 20 0 CBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]CCO ZINC001270051583 827544230 /nfs/dbraw/zinc/54/42/30/827544230.db2.gz YRMWHXJVWYQGIG-KGLIPLIRSA-N 2 0 281.400 -0.099 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CCO)C1 ZINC001270187282 827552442 /nfs/dbraw/zinc/55/24/42/827552442.db2.gz HSKIUFIWRIQMGK-RYUDHWBXSA-N 2 0 255.362 -0.489 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]CCO)[NH+](C)C ZINC001270568966 827579369 /nfs/dbraw/zinc/57/93/69/827579369.db2.gz QGEYECCNQMPFMF-RYUDHWBXSA-N 2 0 259.394 -0.093 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC(N)=O ZINC001271183187 827675122 /nfs/dbraw/zinc/67/51/22/827675122.db2.gz XLACQCDHQHTLNH-SNVBAGLBSA-N 2 0 258.366 -0.750 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)C[NH+]1CCCC1 ZINC001271210612 827677063 /nfs/dbraw/zinc/67/70/63/827677063.db2.gz YSGRJXDUVSUWNK-SNVBAGLBSA-N 2 0 256.350 -0.996 20 0 CBADRP CN1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H](C1)O2 ZINC001271939001 827736813 /nfs/dbraw/zinc/73/68/13/827736813.db2.gz DBMVNIRBFFVRIA-HZSPNIEDSA-N 2 0 279.384 -0.130 20 0 CBADRP C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)CC2 ZINC001272273618 827776013 /nfs/dbraw/zinc/77/60/13/827776013.db2.gz SNXWQPWYBLZJRF-RYUDHWBXSA-N 2 0 267.373 -0.394 20 0 CBADRP C[NH+](C)CCN1CCC12CN(C(=O)C1([NH+](C)C)CC1)C2 ZINC001272308232 827779214 /nfs/dbraw/zinc/77/92/14/827779214.db2.gz VHNLYOASLIJRGF-UHFFFAOYSA-N 2 0 280.416 -0.071 20 0 CBADRP CC[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272437507 827797221 /nfs/dbraw/zinc/79/72/21/827797221.db2.gz KCLUTRIYIQGENP-CYBMUJFWSA-N 2 0 255.362 -0.129 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]C/C=C/Cl ZINC001272496195 827807301 /nfs/dbraw/zinc/80/73/01/827807301.db2.gz MRTDHLSRIKQGEE-UQRCUPDISA-N 2 0 275.780 -0.100 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](C)C2 ZINC001272555081 827820129 /nfs/dbraw/zinc/82/01/29/827820129.db2.gz KKILAQLMGCQHIO-LBPRGKRZSA-N 2 0 266.389 -0.604 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)CC[NH2+]CC(N)=O)[NH+](C)C ZINC001272865716 827846715 /nfs/dbraw/zinc/84/67/15/827846715.db2.gz MZOCMHOQAVEGOS-NXEZZACHSA-N 2 0 258.366 -0.704 20 0 CBADRP C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](O)C3)C2)C1 ZINC001273068806 827861920 /nfs/dbraw/zinc/86/19/20/827861920.db2.gz CAKCPPJRGAWNTH-NSHDSACASA-N 2 0 253.346 -0.783 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)NC)[NH+](C)C ZINC001273123751 827866307 /nfs/dbraw/zinc/86/63/07/827866307.db2.gz YXULDDJXSUMWMT-QWRGUYRKSA-N 2 0 272.393 -0.443 20 0 CBADRP CCCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273175946 827870124 /nfs/dbraw/zinc/87/01/24/827870124.db2.gz MVHHXPIMVWLWTI-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CCCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001273175949 827871740 /nfs/dbraw/zinc/87/17/40/827871740.db2.gz MVHHXPIMVWLWTI-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001273201324 827872809 /nfs/dbraw/zinc/87/28/09/827872809.db2.gz LKCHQUMPKFZIIT-RYUDHWBXSA-N 2 0 269.389 -0.053 20 0 CBADRP CCN(CC[NH2+]C[C@H](C)O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001273298489 827887679 /nfs/dbraw/zinc/88/76/79/827887679.db2.gz QRYXFECXYXGWMP-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001273300625 827887922 /nfs/dbraw/zinc/88/79/22/827887922.db2.gz MLHLLAUGMASPTP-ZIAGYGMSSA-N 2 0 299.415 -0.066 20 0 CBADRP O=C(N1CCO[C@H](C[NH2+]CCCO)C1)C12CC[NH+](CC1)C2 ZINC001273342165 827891201 /nfs/dbraw/zinc/89/12/01/827891201.db2.gz HUHJQVCPHRGROY-CYBMUJFWSA-N 2 0 297.399 -0.718 20 0 CBADRP C[N@@H+]1CCN(C(=O)CN2CCC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001273364009 827893795 /nfs/dbraw/zinc/89/37/95/827893795.db2.gz UFJNLFAOQFABPB-OAHLLOKOSA-N 2 0 294.399 -0.495 20 0 CBADRP COCC[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273506284 827905183 /nfs/dbraw/zinc/90/51/83/827905183.db2.gz NGRFRMHEQNRWIJ-AWEZNQCLSA-N 2 0 285.388 -0.502 20 0 CBADRP COCC[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273506026 827905733 /nfs/dbraw/zinc/90/57/33/827905733.db2.gz KUPPLDWGEJPDML-HNNXBMFYSA-N 2 0 299.415 -0.255 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273699066 827919510 /nfs/dbraw/zinc/91/95/10/827919510.db2.gz HYQCFYXDVCQONP-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273703009 827920016 /nfs/dbraw/zinc/92/00/16/827920016.db2.gz ASVRAKUJNFJGDI-JHJVBQTASA-N 2 0 296.415 -0.123 20 0 CBADRP CCN(CC[NH2+]CCCO)C(=O)C12CC[NH+](CC1)C2 ZINC001273710143 827921567 /nfs/dbraw/zinc/92/15/67/827921567.db2.gz KPSVFWBCFWAHSX-UHFFFAOYSA-N 2 0 269.389 -0.097 20 0 CBADRP CCN(CC[NH2+]C[C@@H](O)COC)C(=O)C12CC[NH+](CC1)C2 ZINC001273709961 827921584 /nfs/dbraw/zinc/92/15/84/827921584.db2.gz DMCBFDFPEZJAEA-CYBMUJFWSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274047653 827955984 /nfs/dbraw/zinc/95/59/84/827955984.db2.gz SBIOOAFNASIYJC-JSGCOSHPSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274047911 827958199 /nfs/dbraw/zinc/95/81/99/827958199.db2.gz VNFSWHPOMZBZRE-JSGCOSHPSA-N 2 0 285.388 -0.768 20 0 CBADRP C[C@H](CO)C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274069015 827964829 /nfs/dbraw/zinc/96/48/29/827964829.db2.gz RSRXMHZBENVSKX-DZGCQCFKSA-N 2 0 299.415 -0.520 20 0 CBADRP CNC(=O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001274074612 827966983 /nfs/dbraw/zinc/96/69/83/827966983.db2.gz YMBWUUHKALFDSV-HNNXBMFYSA-N 2 0 296.415 -0.249 20 0 CBADRP CC[C@H](C(=O)NC/C=C\C[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001274126134 827970012 /nfs/dbraw/zinc/97/00/12/827970012.db2.gz XVHIJRSMWWFNOK-QIAMSNJGSA-N 2 0 270.377 -0.538 20 0 CBADRP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001274262827 827979355 /nfs/dbraw/zinc/97/93/55/827979355.db2.gz IQVZDDNPBFUQSR-MJKAUQOVSA-N 2 0 268.361 -0.784 20 0 CBADRP CC[C@H](C(=O)NC/C=C/C[NH2+]C[C@@H](C)O)[NH+](C)C ZINC001274512526 827996637 /nfs/dbraw/zinc/99/66/37/827996637.db2.gz ZUTCERPDOVZASN-BYAJROORSA-N 2 0 257.378 -0.031 20 0 CBADRP COCC[NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001274579481 828006368 /nfs/dbraw/zinc/00/63/68/828006368.db2.gz UTQNKBRRTIOARX-NSCUHMNNSA-N 2 0 255.362 -0.009 20 0 CBADRP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+][C@@H]1CCCNC1=O ZINC001274579507 828007215 /nfs/dbraw/zinc/00/72/15/828007215.db2.gz VKNAWEUADNUIJQ-ZIYVKSGCSA-N 2 0 294.399 -0.377 20 0 CBADRP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+][C@H]1CCCNC1=O ZINC001274579504 828007226 /nfs/dbraw/zinc/00/72/26/828007226.db2.gz VKNAWEUADNUIJQ-AORQRIRUSA-N 2 0 294.399 -0.377 20 0 CBADRP COC(=O)CCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001275158988 828062122 /nfs/dbraw/zinc/06/21/22/828062122.db2.gz VPHBRQXIBPBELJ-OKILXGFUSA-N 2 0 299.415 -0.114 20 0 CBADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](C[C@@H]3CCC(=O)N3)C[C@H]21 ZINC001275188980 828064559 /nfs/dbraw/zinc/06/45/59/828064559.db2.gz RMEXECYRPCYHDS-MJBXVCDLSA-N 2 0 296.415 -0.788 20 0 CBADRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2C[C@@H]1CCC(=O)N1 ZINC001275186911 828064890 /nfs/dbraw/zinc/06/48/90/828064890.db2.gz FKIAKJLMRAOTOO-IHRRRGAJSA-N 2 0 280.416 -0.025 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)C(N)=O)[NH+](C)C ZINC001275203759 828067593 /nfs/dbraw/zinc/06/75/93/828067593.db2.gz XDSMRRZDIBHJEE-IVZWLZJFSA-N 2 0 258.366 -0.705 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]CCO)C2)C1 ZINC001275324041 828078125 /nfs/dbraw/zinc/07/81/25/828078125.db2.gz PWVSSTOLSNWQSI-CXQJBGSLSA-N 2 0 255.362 -0.585 20 0 CBADRP C[C@@H](C[NH2+]CCn1cncn1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001275309655 828078170 /nfs/dbraw/zinc/07/81/70/828078170.db2.gz GUIHWJUTEDBHDP-OLZOCXBDSA-N 2 0 294.403 -0.286 20 0 CBADRP C[C@@H](CNC(=O)Cc1ncc[nH]1)[N@H+](C)CCCO ZINC001275963951 828126605 /nfs/dbraw/zinc/12/66/05/828126605.db2.gz WMGBNWWAPXKXLD-JTQLQIEISA-N 2 0 254.334 -0.229 20 0 CBADRP C[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)C(N)=O ZINC001276076301 828133367 /nfs/dbraw/zinc/13/33/67/828133367.db2.gz NATFOGQUYKJRND-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001276379688 828143616 /nfs/dbraw/zinc/14/36/16/828143616.db2.gz OZLAUHHHNQFHAA-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H](O)C[NH2+]CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001276386860 828144307 /nfs/dbraw/zinc/14/43/07/828144307.db2.gz PWYKKWJIQJVRHM-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](CC3(C)COC3)C[C@@H]21 ZINC001276422749 828145576 /nfs/dbraw/zinc/14/55/76/828145576.db2.gz XXIBUHYZGWQSLS-KBPBESRZSA-N 2 0 283.416 -0.031 20 0 CBADRP CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[NH+](C)C ZINC001276689233 828155795 /nfs/dbraw/zinc/15/57/95/828155795.db2.gz BAFKADAIUIQKNK-FVCCEPFGSA-N 2 0 269.389 -0.387 20 0 CBADRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](C[C@H]3COCCO3)[C@@H]2C1 ZINC001277526409 828192906 /nfs/dbraw/zinc/19/29/06/828192906.db2.gz DCIFLUDTRWCBHQ-SOUVJXGZSA-N 2 0 283.416 -0.031 20 0 CBADRP C[NH+](C)CCN1CC2(C1)C[NH+](C[C@@H]1COCCO1)C2 ZINC001277526400 828192912 /nfs/dbraw/zinc/19/29/12/828192912.db2.gz CXVVTAXWGRPFFU-CYBMUJFWSA-N 2 0 269.389 -0.419 20 0 CBADRP NC(=O)C[C@H]1C[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]2O1 ZINC001277821081 828212178 /nfs/dbraw/zinc/21/21/78/828212178.db2.gz COMGPMAKIPUDRA-UPJWGTAASA-N 2 0 267.373 -0.049 20 0 CBADRP C[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CCO)CC1 ZINC001277932578 828219844 /nfs/dbraw/zinc/21/98/44/828219844.db2.gz JKVXBNNQJFLLQI-CYBMUJFWSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H](O)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277961035 828224126 /nfs/dbraw/zinc/22/41/26/828224126.db2.gz PZJDDUXAZNFNES-UPJWGTAASA-N 2 0 257.378 -0.686 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277961033 828224149 /nfs/dbraw/zinc/22/41/49/828224149.db2.gz PZJDDUXAZNFNES-AGIUHOORSA-N 2 0 257.378 -0.686 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCO)[NH+](C)C ZINC001277982933 828227102 /nfs/dbraw/zinc/22/71/02/828227102.db2.gz YVENQGGONAFRBI-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H](CO)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277999057 828229621 /nfs/dbraw/zinc/22/96/21/828229621.db2.gz XZWSLSNMRCEGRX-MJBXVCDLSA-N 2 0 271.405 -0.439 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001278032191 828232659 /nfs/dbraw/zinc/23/26/59/828232659.db2.gz JCVIKSKOGLDYQW-AGIUHOORSA-N 2 0 268.405 -0.040 20 0 CBADRP CC[NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001278105775 828248009 /nfs/dbraw/zinc/24/80/09/828248009.db2.gz OICMUZGDOKFVQT-NSHDSACASA-N 2 0 255.362 -0.299 20 0 CBADRP CC(C)[NH2+][C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001278139969 828251995 /nfs/dbraw/zinc/25/19/95/828251995.db2.gz XAPIBYQURIQDKA-NSHDSACASA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]CCF)C1 ZINC001278155296 828252569 /nfs/dbraw/zinc/25/25/69/828252569.db2.gz OXRYGKLXFYZOEW-MNOVXSKESA-N 2 0 261.341 -0.636 20 0 CBADRP CC(C)[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001278179660 828256550 /nfs/dbraw/zinc/25/65/50/828256550.db2.gz SVNQJSZBVUOSNN-RYUDHWBXSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CCOCCO)CN1C(=O)C[NH+]1CCCC1 ZINC001278423192 828269883 /nfs/dbraw/zinc/26/98/83/828269883.db2.gz IHFPULJVUJPKHF-KGLIPLIRSA-N 2 0 299.415 -0.330 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CCO)C1 ZINC001278468985 828271443 /nfs/dbraw/zinc/27/14/43/828271443.db2.gz GGEPKHHMUOGHRG-TZMCWYRMSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CCO ZINC001278520905 828272815 /nfs/dbraw/zinc/27/28/15/828272815.db2.gz KDHURKOMLAVZHO-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CCO ZINC001278520906 828272885 /nfs/dbraw/zinc/27/28/85/828272885.db2.gz KDHURKOMLAVZHO-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP COCCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001278766722 828285471 /nfs/dbraw/zinc/28/54/71/828285471.db2.gz MJNICGMCVOKHTG-HIFRSBDPSA-N 2 0 299.415 -0.330 20 0 CBADRP COCCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001278790649 828289835 /nfs/dbraw/zinc/28/98/35/828289835.db2.gz HECIPQVFZKDGCS-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001278804309 828291549 /nfs/dbraw/zinc/29/15/49/828291549.db2.gz PZCBNIMAYAXBNZ-RYUDHWBXSA-N 2 0 257.378 -0.243 20 0 CBADRP CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001278823347 828293485 /nfs/dbraw/zinc/29/34/85/828293485.db2.gz YMJOEWIJJLWECC-WCQYABFASA-N 2 0 255.362 -0.489 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)NCC1([NH3+])CCOCC1 ZINC001348308576 890590126 /nfs/dbraw/zinc/59/01/26/890590126.db2.gz WRCJBOZQJQYZMJ-SNVBAGLBSA-N 2 0 258.366 -0.209 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001348416453 890621403 /nfs/dbraw/zinc/62/14/03/890621403.db2.gz XFBRWBVGMLNGHX-STQMWFEESA-N 2 0 268.405 -0.167 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)C[NH+]1CCCC1 ZINC001348649019 890676020 /nfs/dbraw/zinc/67/60/20/890676020.db2.gz UWLRQDGDBRVDAO-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCCCC[NH3+])C1 ZINC001350215596 890949297 /nfs/dbraw/zinc/94/92/97/890949297.db2.gz VFBIHLXIKOHKIO-NSHDSACASA-N 2 0 272.393 -0.130 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)NCCCN1CC[NH+](C)CC1 ZINC000131110258 884559412 /nfs/dbraw/zinc/55/94/12/884559412.db2.gz GWHQEZIJDSAPPF-GFCCVEGCSA-N 2 0 288.461 -0.180 20 0 CBADRP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378379 884777674 /nfs/dbraw/zinc/77/76/74/884777674.db2.gz OKAZSZDRQZEGDB-YNEHKIRRSA-N 2 0 287.404 -0.212 20 0 CBADRP CCOC(=O)C[C@H](O)C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001253799721 884806371 /nfs/dbraw/zinc/80/63/71/884806371.db2.gz ZUYQEWCPGVAJRD-ZDUSSCGKSA-N 2 0 287.404 -0.520 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)CC[NH2+]1 ZINC001326059968 884894907 /nfs/dbraw/zinc/89/49/07/884894907.db2.gz GNEXORYUWUUSRD-SNVBAGLBSA-N 2 0 266.349 -0.549 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCC2(C)OCCO2)CC1 ZINC001326157512 884928101 /nfs/dbraw/zinc/92/81/01/884928101.db2.gz ZIBWYGXDKMYASG-CYBMUJFWSA-N 2 0 287.404 -0.663 20 0 CBADRP C[C@H](Cn1cccn1)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC001326311230 884985180 /nfs/dbraw/zinc/98/51/80/884985180.db2.gz RQZYPMZZXYRBMP-LLVKDONJSA-N 2 0 251.334 -0.707 20 0 CBADRP C[NH2+]C[C@@](C)(O)CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001326487304 885046823 /nfs/dbraw/zinc/04/68/23/885046823.db2.gz LLQMYIJLCNXCEJ-HUUCEWRRSA-N 2 0 284.448 -0.331 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCSCCCO)CC1 ZINC001327002741 885218621 /nfs/dbraw/zinc/21/86/21/885218621.db2.gz MCOBYYHEXQZFBW-ZDUSSCGKSA-N 2 0 291.461 -0.700 20 0 CBADRP [NH3+]CCOCC[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC001327086775 885253167 /nfs/dbraw/zinc/25/31/67/885253167.db2.gz GYXHZWMWBGZXNM-UHFFFAOYSA-N 2 0 285.388 -0.468 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC001327129680 885265721 /nfs/dbraw/zinc/26/57/21/885265721.db2.gz AFKAWJJCHHLOGK-WCQYABFASA-N 2 0 267.373 -0.312 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC001327129679 885265808 /nfs/dbraw/zinc/26/58/08/885265808.db2.gz AFKAWJJCHHLOGK-DGCLKSJQSA-N 2 0 267.373 -0.312 20 0 CBADRP O=C(C[C@H]1CC[NH2+]C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001327570368 885410294 /nfs/dbraw/zinc/41/02/94/885410294.db2.gz QVIFCMUXTJZNEH-OLZOCXBDSA-N 2 0 266.389 -0.508 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C[NH2+]C2CC2)n1 ZINC001327578709 885413359 /nfs/dbraw/zinc/41/33/59/885413359.db2.gz LLUFFKDFZBXITR-UHFFFAOYSA-N 2 0 251.290 -0.991 20 0 CBADRP [NH3+]CCCCNC(=O)c1cn(CCCC[NH3+])nn1 ZINC001328236122 885609977 /nfs/dbraw/zinc/60/99/77/885609977.db2.gz NBGWXOULMFDKKI-UHFFFAOYSA-N 2 0 254.338 -0.514 20 0 CBADRP C[NH2+][C@@H](C)Cc1noc(CNC(=O)[C@H]2CCC[NH2+]2)n1 ZINC001328387868 885666334 /nfs/dbraw/zinc/66/63/34/885666334.db2.gz OITOTUQXMKFZPB-DTWKUNHWSA-N 2 0 267.333 -0.412 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC001330578162 886488087 /nfs/dbraw/zinc/48/80/87/886488087.db2.gz LQTQQNGQQLLGOL-CMPLNLGQSA-N 2 0 259.350 -0.894 20 0 CBADRP COC1CC(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC001330609685 886502267 /nfs/dbraw/zinc/50/22/67/886502267.db2.gz YJXQAGMSZWNLGS-SLTAFYQDSA-N 2 0 285.432 -0.001 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2ccnn2)CC[N@@H+]1C ZINC001331075820 886667427 /nfs/dbraw/zinc/66/74/27/886667427.db2.gz WTTRPBSQLKGQPE-UTUOFQBUSA-N 2 0 253.350 -0.289 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331155514 886698025 /nfs/dbraw/zinc/69/80/25/886698025.db2.gz PICRIRQVWZPCPA-UTUOFQBUSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH+](C)CC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001331264897 886757840 /nfs/dbraw/zinc/75/78/40/886757840.db2.gz GVTTVXSQJFVQRM-LBPRGKRZSA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001331689822 886911447 /nfs/dbraw/zinc/91/14/47/886911447.db2.gz OGJBSXXGWJNGIF-SRVKXCTJSA-N 2 0 255.362 -0.097 20 0 CBADRP C[C@H]1[C@H]([NH2+]CCO)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001331920207 887043940 /nfs/dbraw/zinc/04/39/40/887043940.db2.gz VVQJXVUSRZHWAY-NWDGAFQWSA-N 2 0 269.389 -0.101 20 0 CBADRP [NH3+]CCCC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001332275487 887180323 /nfs/dbraw/zinc/18/03/23/887180323.db2.gz CKCCSRLGWOLMBA-LLVKDONJSA-N 2 0 266.349 -0.361 20 0 CBADRP CN(C(=O)c1cn(CCCC[NH3+])nn1)[C@@H]1CC[NH2+]C1 ZINC001332393087 887251274 /nfs/dbraw/zinc/25/12/74/887251274.db2.gz BCGGGBAOAKSBRA-SNVBAGLBSA-N 2 0 266.349 -0.549 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001332520985 887335040 /nfs/dbraw/zinc/33/50/40/887335040.db2.gz NRVDMRPZWHYRCV-SRVKXCTJSA-N 2 0 269.393 -0.731 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001333629904 887725756 /nfs/dbraw/zinc/72/57/56/887725756.db2.gz LTQUUFGHMXJTND-MNOVXSKESA-N 2 0 259.350 -0.685 20 0 CBADRP CNC(=O)C1([NH2+]CC[C@H]2CC[NH2+]C2)CCOCC1 ZINC001334045636 887851510 /nfs/dbraw/zinc/85/15/10/887851510.db2.gz HSGYIMVRMBGSBV-LLVKDONJSA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)C1C[NH2+]C1 ZINC001334706582 888289807 /nfs/dbraw/zinc/28/98/07/888289807.db2.gz FYEIJWDANNTFDT-SECBINFHSA-N 2 0 252.318 -0.464 20 0 CBADRP [NH3+]CCN1CCC([NH2+]C[C@@H]2C[NH2+]CCCO2)CC1 ZINC001334775120 888319571 /nfs/dbraw/zinc/31/95/71/888319571.db2.gz SATSBIMJHRPRLF-ZDUSSCGKSA-N 3 0 256.394 -0.622 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NCCCC[NH3+])C1 ZINC001335234495 888461095 /nfs/dbraw/zinc/46/10/95/888461095.db2.gz LIWYVJCPMATOJR-UHFFFAOYSA-N 2 0 284.404 -0.310 20 0 CBADRP C[NH2+]CCOCCN(C)Cc1nc(C(C)(C)[NH3+])no1 ZINC001335379807 888520355 /nfs/dbraw/zinc/52/03/55/888520355.db2.gz CISBDNSQMHEVHQ-UHFFFAOYSA-N 2 0 271.365 -0.069 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001335845876 888645572 /nfs/dbraw/zinc/64/55/72/888645572.db2.gz WVKRASBHBRNCRS-RWMBFGLXSA-N 2 0 266.389 -0.652 20 0 CBADRP O[C@@H]1CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@@H]1O ZINC001336279045 888735162 /nfs/dbraw/zinc/73/51/62/888735162.db2.gz YXEIHHRUGXQMMY-RNJOBUHISA-N 2 0 256.346 -0.818 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC001336908528 888915857 /nfs/dbraw/zinc/91/58/57/888915857.db2.gz OPNYNSJINWRAOF-OLZOCXBDSA-N 2 0 283.420 -0.564 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCCNc1cc[nH+]cc1 ZINC001336927946 888924898 /nfs/dbraw/zinc/92/48/98/888924898.db2.gz WJLYVBNRZJEHQV-ZYHUDNBSSA-N 2 0 263.345 -0.178 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001336963642 888932612 /nfs/dbraw/zinc/93/26/12/888932612.db2.gz APELEOBWNUBXQV-WDEREUQCSA-N 2 0 272.393 -0.314 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NCC[NH+]1CCC(OC)CC1 ZINC001336976637 888941265 /nfs/dbraw/zinc/94/12/65/888941265.db2.gz BNUIGXYXJOVLQE-NSHDSACASA-N 2 0 259.350 -0.813 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001337529669 889030526 /nfs/dbraw/zinc/03/05/26/889030526.db2.gz IRJWVCMBFWTHRT-IJLUTSLNSA-N 2 0 282.388 -0.608 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C2([C@@H](C)[NH3+])CCOCC2)C1 ZINC001338368233 889148817 /nfs/dbraw/zinc/14/88/17/889148817.db2.gz FTZOGHORMXBYBN-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP COCC[NH+]1CCC(NC(=O)C23CC(C2)C[NH2+]3)CC1 ZINC001340056561 889376491 /nfs/dbraw/zinc/37/64/91/889376491.db2.gz MBYJXGYNOILHEI-UHFFFAOYSA-N 2 0 267.373 -0.035 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC001340182708 889406081 /nfs/dbraw/zinc/40/60/81/889406081.db2.gz LCTAVSPMRJOGKC-JGVFFNPUSA-N 2 0 268.283 -0.714 20 0 CBADRP [NH3+]CCCCNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001340268169 889417026 /nfs/dbraw/zinc/41/70/26/889417026.db2.gz ZGTDTBBDCRDJLQ-LBPRGKRZSA-N 2 0 254.334 -0.260 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)C1 ZINC001340739484 889477462 /nfs/dbraw/zinc/47/74/62/889477462.db2.gz UFHZSTYYDOIXQR-DCJFZGGZSA-N 2 0 251.330 -0.639 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC001340747196 889480170 /nfs/dbraw/zinc/48/01/70/889480170.db2.gz KDPXBVFHZRAJOY-WDEREUQCSA-N 2 0 255.362 -0.585 20 0 CBADRP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[NH2+]1)C1CC[NH2+]CC1 ZINC001340787007 889486976 /nfs/dbraw/zinc/48/69/76/889486976.db2.gz JSXMAAHADLBXKE-GAFUQQFSSA-N 2 0 255.362 -0.396 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC001340794920 889486990 /nfs/dbraw/zinc/48/69/90/889486990.db2.gz AHZJPAJMGXQJCQ-RNJOBUHISA-N 2 0 269.389 -0.197 20 0 CBADRP O=C(C1CC[NH2+]CC1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001340849460 889498810 /nfs/dbraw/zinc/49/88/10/889498810.db2.gz XTMYPYTUYDSKTI-LBPRGKRZSA-N 2 0 255.362 -0.441 20 0 CBADRP C[C@]1(C(=O)N2CCCCC[C@@H]([NH3+])C2)C[C@@H](O)C[NH2+]1 ZINC001340876182 889503874 /nfs/dbraw/zinc/50/38/74/889503874.db2.gz LXLDPGFODHGWGH-NQBHXWOUSA-N 2 0 255.362 -0.171 20 0 CBADRP CC1CC[NH+](CCNC(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001340808267 889490078 /nfs/dbraw/zinc/49/00/78/889490078.db2.gz LWFDPSPKVGWRMQ-UHFFFAOYSA-N 2 0 269.389 -0.066 20 0 CBADRP C[NH2+]CCCCC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001340932358 889515284 /nfs/dbraw/zinc/51/52/84/889515284.db2.gz WMKABKYWXYKOEY-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001340903838 889509048 /nfs/dbraw/zinc/50/90/48/889509048.db2.gz NPEXLWNPKREAIJ-WDEREUQCSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001340905521 889510062 /nfs/dbraw/zinc/51/00/62/889510062.db2.gz GPARAHKDOFNXNA-JOYOIKCWSA-N 2 0 254.334 -0.262 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C[NH+]2CCC(CO)CC2)CC[NH2+]1 ZINC001340922036 889511867 /nfs/dbraw/zinc/51/18/67/889511867.db2.gz KAZFHCZLXBHQBD-WCQYABFASA-N 2 0 269.389 -0.053 20 0 CBADRP [NH3+][C@H](CO)C(=O)NCCCCCC1CC[NH2+]CC1 ZINC001341049067 889535476 /nfs/dbraw/zinc/53/54/76/889535476.db2.gz ULEDOUJADQLGLT-GFCCVEGCSA-N 2 0 257.378 -0.018 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1NC(=O)CC12CC[NH2+]CC2 ZINC001341157191 889552002 /nfs/dbraw/zinc/55/20/02/889552002.db2.gz SPJHEPBINQPJRC-VIFPVBQESA-N 2 0 254.334 -0.630 20 0 CBADRP [NH3+][C@@H](CCC(=O)N[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC001341416792 889591534 /nfs/dbraw/zinc/59/15/34/889591534.db2.gz ASYRZDBYGSVTSM-XQQFMLRXSA-N 2 0 263.341 -0.085 20 0 CBADRP O=C(CC[NH2+]CC1CC1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001341368797 889584570 /nfs/dbraw/zinc/58/45/70/889584570.db2.gz PVKRVCNFCFVSBK-LLVKDONJSA-N 2 0 253.346 -0.377 20 0 CBADRP CN(C(=O)CON)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001341381567 889585474 /nfs/dbraw/zinc/58/54/74/889585474.db2.gz BLLNMJCENUPINU-LBPRGKRZSA-N 2 0 270.377 -0.496 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])COC(C)C ZINC001341517559 889612871 /nfs/dbraw/zinc/61/28/71/889612871.db2.gz SJOWAWBWJWIMTI-MNOVXSKESA-N 2 0 259.350 -0.815 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001341644889 889639231 /nfs/dbraw/zinc/63/92/31/889639231.db2.gz BBGVTJZWIXYBMR-GRYCIOLGSA-N 2 0 282.388 -0.845 20 0 CBADRP CCC[NH+]1CCC(CNC(=O)C[C@@H](O)C[NH3+])CC1 ZINC001341672944 889646905 /nfs/dbraw/zinc/64/69/05/889646905.db2.gz QZAAUXPCSLAIGG-GFCCVEGCSA-N 2 0 257.378 -0.066 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC001341747369 889657753 /nfs/dbraw/zinc/65/77/53/889657753.db2.gz GOHYXWMUZZGHHK-IVZWLZJFSA-N 2 0 257.334 -0.524 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N1NC(=O)CC12CC[NH2+]CC2 ZINC001341780449 889662852 /nfs/dbraw/zinc/66/28/52/889662852.db2.gz KHMXTTBQTMOQIO-VIFPVBQESA-N 2 0 254.334 -0.630 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001341781266 889664097 /nfs/dbraw/zinc/66/40/97/889664097.db2.gz QCUPBYZJASWCNY-RNCFNFMXSA-N 2 0 263.345 -0.280 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001341798280 889666704 /nfs/dbraw/zinc/66/67/04/889666704.db2.gz OLVJLBOODDDNPW-QJPTWQEYSA-N 2 0 255.362 -0.456 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001341823756 889668442 /nfs/dbraw/zinc/66/84/42/889668442.db2.gz RIPQSWZJVHJUMY-LBPRGKRZSA-N 2 0 256.394 -0.227 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001341907174 889680984 /nfs/dbraw/zinc/68/09/84/889680984.db2.gz PSRPTGWAAXSKCE-HBNTYKKESA-N 2 0 269.345 -0.665 20 0 CBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C[NH+]1CCC(CO)CC1 ZINC001342009809 889697495 /nfs/dbraw/zinc/69/74/95/889697495.db2.gz ZGCWQNYKXMKUOX-MNOVXSKESA-N 2 0 257.378 -0.067 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[C@H]1C[NH3+] ZINC001342061817 889704529 /nfs/dbraw/zinc/70/45/29/889704529.db2.gz ZJZZOEWBJMNNPQ-NZEXEKPDSA-N 2 0 267.373 -0.051 20 0 CBADRP CC(C)[C@H](C(=O)N[C@@H]1COC2(C[NH2+]C2)C1)[C@H](C)[NH3+] ZINC001342125529 889714156 /nfs/dbraw/zinc/71/41/56/889714156.db2.gz KLRLNZDOLLAMMR-DCAQKATOSA-N 2 0 255.362 -0.147 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)C1 ZINC001342125173 889714205 /nfs/dbraw/zinc/71/42/05/889714205.db2.gz GZFUFZBJXJZETQ-MXWKQRLJSA-N 2 0 253.346 -0.249 20 0 CBADRP O=C(N[C@H]1COC2(C[NH2+]C2)C1)[C@H]1CCC[NH2+]CC1 ZINC001342127155 889714243 /nfs/dbraw/zinc/71/42/43/889714243.db2.gz SWHUFUHVTJTLJV-WDEREUQCSA-N 2 0 253.346 -0.377 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N1CCN(C)CCN(C)CC1 ZINC001342156279 889723324 /nfs/dbraw/zinc/72/33/24/889723324.db2.gz NEVZIQTUYJUBBN-GFCCVEGCSA-N 2 0 256.394 -0.325 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001342158336 889723452 /nfs/dbraw/zinc/72/34/52/889723452.db2.gz APXUFWLRVXHRGB-UTUOFQBUSA-N 2 0 282.388 -0.478 20 0 CBADRP CN(CCOCC[NH3+])C(=O)C[NH+]1CCC(CO)CC1 ZINC001342238442 889736622 /nfs/dbraw/zinc/73/66/22/889736622.db2.gz DEDGFZJXXVVRHX-UHFFFAOYSA-N 2 0 273.377 -0.876 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CCOCC1 ZINC001342255454 889740356 /nfs/dbraw/zinc/74/03/56/889740356.db2.gz HXZDKWAZQBDOMK-HBNTYKKESA-N 2 0 255.362 -0.003 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001342335574 889755928 /nfs/dbraw/zinc/75/59/28/889755928.db2.gz ZIMMJBODDWEICU-SDDRHHMPSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1NC(=O)CC12CC[NH2+]CC2 ZINC001342564344 889793073 /nfs/dbraw/zinc/79/30/73/889793073.db2.gz IYVITGKJLVUWAQ-SECBINFHSA-N 2 0 266.345 -0.487 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001343031324 889857743 /nfs/dbraw/zinc/85/77/43/889857743.db2.gz GFMQPCGMVGPJDF-DGCLKSJQSA-N 2 0 252.362 -0.756 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001343391700 889898788 /nfs/dbraw/zinc/89/87/88/889898788.db2.gz LPVMZXBHTNFKIK-NTZNESFSSA-N 2 0 255.362 -0.443 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC001343474678 889916211 /nfs/dbraw/zinc/91/62/11/889916211.db2.gz XLVFXGKPVHQWRV-RNJOBUHISA-N 2 0 267.373 -0.219 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001343489044 889920907 /nfs/dbraw/zinc/92/09/07/889920907.db2.gz IWUQSTXEMCZBRW-TUAOUCFPSA-N 2 0 256.394 -0.265 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001343507011 889924388 /nfs/dbraw/zinc/92/43/88/889924388.db2.gz VAQSZWHBBHSEHY-RVMXOQNASA-N 2 0 267.373 -0.064 20 0 CBADRP C[NH2+]C1(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)CCC1 ZINC001343582221 889934781 /nfs/dbraw/zinc/93/47/81/889934781.db2.gz JJMZWSRNNRYWOV-RYUDHWBXSA-N 2 0 268.405 -0.121 20 0 CBADRP C[C@@H](NC(=O)CC1(C[NH3+])CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001343582123 889936465 /nfs/dbraw/zinc/93/64/65/889936465.db2.gz ISRQLIKHBSDCGQ-NEPJUHHUSA-N 2 0 268.405 -0.134 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001343699730 889948834 /nfs/dbraw/zinc/94/88/34/889948834.db2.gz FNPWTVOKGLJKKL-BREBYQMCSA-N 2 0 255.362 -0.267 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001444313124 912424189 /nfs/dbraw/zinc/42/41/89/912424189.db2.gz YDTIPZWMZKSQNH-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C[NH2+]CC(N)=O ZINC001444377283 912438858 /nfs/dbraw/zinc/43/88/58/912438858.db2.gz OZUZHSVNRSCUNF-MNOVXSKESA-N 2 0 270.377 -0.845 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1cnn(C)n1 ZINC001444411448 912443257 /nfs/dbraw/zinc/44/32/57/912443257.db2.gz VIYNJMQGNFWTGR-RYUDHWBXSA-N 2 0 294.403 -0.391 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001444409073 912444831 /nfs/dbraw/zinc/44/48/31/912444831.db2.gz OGXCHVNXBLFYRV-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1ncnn1C ZINC001444427329 912446738 /nfs/dbraw/zinc/44/67/38/912446738.db2.gz AYRVVSNBNZPTJH-LBPRGKRZSA-N 2 0 296.419 -0.003 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1ncnn1C ZINC001444414333 912447198 /nfs/dbraw/zinc/44/71/98/912447198.db2.gz ZZSASJFGEYBDDS-LBPRGKRZSA-N 2 0 294.403 -0.247 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)C1([NH2+]C2CC2)CCC1 ZINC001344011688 889991191 /nfs/dbraw/zinc/99/11/91/889991191.db2.gz PLXGIPMYZWQAAT-NSHDSACASA-N 2 0 265.357 -0.092 20 0 CBADRP C[NH+](C)CCCC(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001444519230 912462541 /nfs/dbraw/zinc/46/25/41/912462541.db2.gz JMKVMUYKWVMNDU-UHFFFAOYSA-N 2 0 284.404 -0.168 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001444627963 912481023 /nfs/dbraw/zinc/48/10/23/912481023.db2.gz HZBUZAOIRSFVDU-NWDGAFQWSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001444681035 912488482 /nfs/dbraw/zinc/48/84/82/912488482.db2.gz UNBPQDPPDPJEOS-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001345013773 890091276 /nfs/dbraw/zinc/09/12/76/890091276.db2.gz WXMVDMBDJIGHMU-BZPMIXESSA-N 2 0 267.373 -0.190 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001444717462 912498504 /nfs/dbraw/zinc/49/85/04/912498504.db2.gz HRENLEFYXHKFND-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CCNC(=O)CN(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001444984508 912530453 /nfs/dbraw/zinc/53/04/53/912530453.db2.gz ASMSLESTIPZOCW-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C1CC[NH2+]CC1 ZINC001345767613 890162463 /nfs/dbraw/zinc/16/24/63/890162463.db2.gz WEPVENDPOACSMP-LBPRGKRZSA-N 2 0 268.405 -0.262 20 0 CBADRP CN(CC[N@H+](C)CCN1CCNC1=O)C(=O)CC[NH+](C)C ZINC001445024514 912546796 /nfs/dbraw/zinc/54/67/96/912546796.db2.gz CHPFQBDBDYUCPC-UHFFFAOYSA-N 2 0 299.419 -0.647 20 0 CBADRP COC[C@H](O)C[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001445070949 912550128 /nfs/dbraw/zinc/55/01/28/912550128.db2.gz JIUSEGUWUYNRAP-CYBMUJFWSA-N 2 0 299.415 -0.520 20 0 CBADRP Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001445268552 912622394 /nfs/dbraw/zinc/62/23/94/912622394.db2.gz JFKBJTBNWXAHJT-NEPJUHHUSA-N 2 0 296.371 -0.499 20 0 CBADRP CC[C@H]([NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001445321949 912634341 /nfs/dbraw/zinc/63/43/41/912634341.db2.gz LTUYRXNXNWJSGK-RYUDHWBXSA-N 2 0 296.415 -0.170 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001445386689 912650596 /nfs/dbraw/zinc/65/05/96/912650596.db2.gz VDRLNZPDCOEMID-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001445387060 912652532 /nfs/dbraw/zinc/65/25/32/912652532.db2.gz CTOQVUXREXAYPP-GHMZBOCLSA-N 2 0 284.404 -0.171 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC001347157462 890417838 /nfs/dbraw/zinc/41/78/38/890417838.db2.gz LSJLNGSYTAYAML-TUAOUCFPSA-N 2 0 255.362 -0.062 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1cnn(C)c1 ZINC001347157511 890418891 /nfs/dbraw/zinc/41/88/91/890418891.db2.gz NNSOUWGGAITDTR-MXWKQRLJSA-N 2 0 269.324 -0.422 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001445452818 912666172 /nfs/dbraw/zinc/66/61/72/912666172.db2.gz YFAXRZZBCXOJOT-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001445600796 912706753 /nfs/dbraw/zinc/70/67/53/912706753.db2.gz UNZVBEPGBQCQRM-NSHDSACASA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001445599297 912707136 /nfs/dbraw/zinc/70/71/36/912707136.db2.gz MLYZJXHCNHUVAS-BJDJZHNGSA-N 2 0 284.404 -0.315 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)CCC[NH+](C)C ZINC001445604548 912711169 /nfs/dbraw/zinc/71/11/69/912711169.db2.gz JTNKPADETBPPRZ-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001445989453 912794622 /nfs/dbraw/zinc/79/46/22/912794622.db2.gz PWWBQCRKFKFVOH-WCQYABFASA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]CC(=O)NC)CC1 ZINC001446256535 912847605 /nfs/dbraw/zinc/84/76/05/912847605.db2.gz DUWPEUMKZYEDJK-UHFFFAOYSA-N 2 0 270.377 -0.687 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001152426479 884677102 /nfs/dbraw/zinc/67/71/02/884677102.db2.gz JKVUEXPCGZQBDO-NSHDSACASA-N 2 0 270.377 -0.689 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188158287 884720109 /nfs/dbraw/zinc/72/01/09/884720109.db2.gz KFJIYWAIMIZHCL-CHWSQXEVSA-N 2 0 287.404 -0.476 20 0 CBADRP [NH3+][C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)nc2)C[C@H]1F ZINC001204842997 884751555 /nfs/dbraw/zinc/75/15/55/884751555.db2.gz HGTDSWOYTRRHMI-OLZOCXBDSA-N 2 0 279.363 -0.028 20 0 CBADRP C[C@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CCC[C@@H]1C[NH3+] ZINC001206012754 884753991 /nfs/dbraw/zinc/75/39/91/884753991.db2.gz NLNAIGZITNQOOI-NWDGAFQWSA-N 2 0 294.399 -0.109 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001446299309 912859999 /nfs/dbraw/zinc/85/99/99/912859999.db2.gz OPCROUUFBGNMMI-NSHDSACASA-N 2 0 282.388 -0.547 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001210811969 884765442 /nfs/dbraw/zinc/76/54/42/884765442.db2.gz SEUGBQKYSMJNPY-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CO[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378121 884778006 /nfs/dbraw/zinc/77/80/06/884778006.db2.gz DONLFYLZTIHAJA-MGPQQGTHSA-N 2 0 299.415 -0.210 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219793172 884792028 /nfs/dbraw/zinc/79/20/28/884792028.db2.gz AYTCTCJXCGFERM-CQSZACIVSA-N 4 0 297.447 -0.615 20 0 CBADRP C[NH2+]CCC(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796268 884792260 /nfs/dbraw/zinc/79/22/60/884792260.db2.gz UBGSXKIXAPQDJC-UHFFFAOYSA-N 3 0 268.405 -0.072 20 0 CBADRP C[C@@H](O)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001326023030 884876117 /nfs/dbraw/zinc/87/61/17/884876117.db2.gz OWHBXWMFSQIKJQ-TZMCWYRMSA-N 2 0 299.415 -0.881 20 0 CBADRP C[C@@H]1CN(C(=O)COC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC001326074241 884896250 /nfs/dbraw/zinc/89/62/50/884896250.db2.gz KAMJLWMYYWPOQO-ZYHUDNBSSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)C1(C(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)CCC1 ZINC001446435035 912879533 /nfs/dbraw/zinc/87/95/33/912879533.db2.gz OCOHBDZUMNFHOW-NSHDSACASA-N 2 0 282.388 -0.463 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC[C@H](C)[NH2+]C ZINC001326145788 884918370 /nfs/dbraw/zinc/91/83/70/884918370.db2.gz ASPHOZXHOWWPIV-NWDGAFQWSA-N 2 0 286.420 -0.053 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)CC[C@@H]2CC[NH2+]C2)CCCO1 ZINC001326140817 884920036 /nfs/dbraw/zinc/92/00/36/884920036.db2.gz PEFQUWHIQNGDIW-VXGBXAGGSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)CC2CC[NH2+]CC2)CCCO1 ZINC001326142315 884920501 /nfs/dbraw/zinc/92/05/01/884920501.db2.gz XJNZEENXICLUPJ-LBPRGKRZSA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cccc(F)n2)CC1 ZINC001326155353 884924750 /nfs/dbraw/zinc/92/47/50/884924750.db2.gz FGJKUTLHUIFEFW-CYBMUJFWSA-N 2 0 282.363 -0.081 20 0 CBADRP NC(=O)C[C@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001326277487 884968011 /nfs/dbraw/zinc/96/80/11/884968011.db2.gz MLWMUEUMWFKIIF-LLVKDONJSA-N 2 0 268.361 -0.994 20 0 CBADRP CN1CC[NH+](CC2CCN(C(=O)COCC[NH3+])CC2)CC1 ZINC001326306213 884981054 /nfs/dbraw/zinc/98/10/54/884981054.db2.gz OODPYRAXJJRDCT-UHFFFAOYSA-N 2 0 298.431 -0.552 20 0 CBADRP [NH3+]CC[C@H]1CCCCN1CC(=O)N1CC[NH2+]CC1 ZINC001326311483 884984471 /nfs/dbraw/zinc/98/44/71/884984471.db2.gz ZWSAXYFZPLUFHJ-GFCCVEGCSA-N 2 0 254.378 -0.379 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001446440367 912884858 /nfs/dbraw/zinc/88/48/58/912884858.db2.gz ZRVHNMLRRQCPOF-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001446441568 912885054 /nfs/dbraw/zinc/88/50/54/912885054.db2.gz ZZLQKAJHXXGTFM-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001326339813 884993026 /nfs/dbraw/zinc/99/30/26/884993026.db2.gz QVIFCMUXTJZNEH-QWHCGFSZSA-N 2 0 266.389 -0.508 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@H]2CCC[NH2+]C2)nn1 ZINC001326353660 885000392 /nfs/dbraw/zinc/00/03/92/885000392.db2.gz NDZHBJZTLCCSMZ-VIFPVBQESA-N 2 0 252.322 -0.891 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)c2cn(CCC[NH3+])nn2)C1 ZINC001326363066 885003532 /nfs/dbraw/zinc/00/35/32/885003532.db2.gz ZLMGORPMUOZWOM-SNVBAGLBSA-N 2 0 266.349 -0.549 20 0 CBADRP C[C@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC[C@H]1[NH3+] ZINC001326370403 885009302 /nfs/dbraw/zinc/00/93/02/885009302.db2.gz VHTLMTVTTHMTBR-WCBMZHEXSA-N 2 0 263.345 -0.135 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC001326409500 885021135 /nfs/dbraw/zinc/02/11/35/885021135.db2.gz YXGAJOZSUPXZTE-UTUOFQBUSA-N 2 0 255.362 -0.036 20 0 CBADRP CN(C(=O)[C@H](N)CC[NH+](C)C)C1CCC([NH3+])CC1 ZINC001326576058 885070670 /nfs/dbraw/zinc/07/06/70/885070670.db2.gz AYBKVSSYEOTDOB-HTAVTVPLSA-N 2 0 256.394 -0.006 20 0 CBADRP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Cn1ccnn1 ZINC001326582811 885074297 /nfs/dbraw/zinc/07/42/97/885074297.db2.gz RYVVCVXGLRQASH-WUHRBBMRSA-N 2 0 265.361 -0.383 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NCC1CC[NH+](C)CC1 ZINC001326607371 885085877 /nfs/dbraw/zinc/08/58/77/885085877.db2.gz SOGPJARYIGSJEC-LBPRGKRZSA-N 2 0 256.394 -0.277 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NCC1CC[NH+](C)CC1 ZINC001326607370 885086547 /nfs/dbraw/zinc/08/65/47/885086547.db2.gz SOGPJARYIGSJEC-GFCCVEGCSA-N 2 0 256.394 -0.277 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]CC2)CCCO1 ZINC001326626219 885094835 /nfs/dbraw/zinc/09/48/35/885094835.db2.gz INXGPJDTXZNCGV-VXGBXAGGSA-N 2 0 255.362 -0.048 20 0 CBADRP CN(C(=O)[C@H](N)CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC001326628185 885098283 /nfs/dbraw/zinc/09/82/83/885098283.db2.gz VEGWAWMZNOSHDU-GFCCVEGCSA-N 2 0 256.394 -0.182 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC001326688553 885112439 /nfs/dbraw/zinc/11/24/39/885112439.db2.gz TVIXCTLUZBIOGH-STQMWFEESA-N 2 0 296.415 -0.310 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001326808142 885158863 /nfs/dbraw/zinc/15/88/63/885158863.db2.gz ZFXSYBJTHFRBAY-PHIMTYICSA-N 2 0 270.377 -0.879 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NCC2([NH3+])CCC2)nn1 ZINC001326808928 885159497 /nfs/dbraw/zinc/15/94/97/885159497.db2.gz CKPSCMBSDNGGKQ-UHFFFAOYSA-N 2 0 252.322 -0.762 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC001326820206 885165401 /nfs/dbraw/zinc/16/54/01/885165401.db2.gz IVUOBSWFNHYTCK-JTQLQIEISA-N 2 0 266.349 -0.549 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC001326847433 885174600 /nfs/dbraw/zinc/17/46/00/885174600.db2.gz QDIGLKPVJWRCJT-UPJWGTAASA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001326858447 885175640 /nfs/dbraw/zinc/17/56/40/885175640.db2.gz KGYNFUOLGQMISE-NXEZZACHSA-N 2 0 296.375 -0.765 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001326924174 885194834 /nfs/dbraw/zinc/19/48/34/885194834.db2.gz UKYRTXWNADNZPD-YUMQZZPRSA-N 2 0 251.277 -0.536 20 0 CBADRP COCC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001326990186 885214968 /nfs/dbraw/zinc/21/49/68/885214968.db2.gz YMJNGPMHKUCFSH-CYBMUJFWSA-N 2 0 299.415 -0.066 20 0 CBADRP COCC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001327017274 885225788 /nfs/dbraw/zinc/22/57/88/885225788.db2.gz AVAYMDWXSARJIA-CYBMUJFWSA-N 2 0 299.415 -0.208 20 0 CBADRP O=C(CN1CCC2(CC[NH2+]2)CC1)N1CC[NH2+]CC1 ZINC001327088808 885252791 /nfs/dbraw/zinc/25/27/91/885252791.db2.gz CULRLUMKFBJMJW-UHFFFAOYSA-N 2 0 252.362 -0.754 20 0 CBADRP O=C(C[N@H+](C[C@H]1CCOC1)C1CC1)N1CC[NH2+]CC1 ZINC001327087280 885253753 /nfs/dbraw/zinc/25/37/53/885253753.db2.gz LNVABCDZQSAFRN-GFCCVEGCSA-N 2 0 267.373 -0.081 20 0 CBADRP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001446702962 912924245 /nfs/dbraw/zinc/92/42/45/912924245.db2.gz VBRWAJOGLJPXPB-OLZOCXBDSA-N 2 0 299.415 -0.284 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001327522946 885389750 /nfs/dbraw/zinc/38/97/50/885389750.db2.gz CNBIAZMMPCTSHH-GARJFASQSA-N 2 0 270.377 -0.833 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC001327522040 885390979 /nfs/dbraw/zinc/39/09/79/885390979.db2.gz YTDHRVPEZXBYDC-UTUOFQBUSA-N 2 0 296.415 -0.158 20 0 CBADRP CN(C(=O)c1cn(CC[NH3+])nn1)[C@@H](C[NH3+])C1CC1 ZINC001327569309 885407546 /nfs/dbraw/zinc/40/75/46/885407546.db2.gz GRFQCORGNWVMMA-JTQLQIEISA-N 2 0 252.322 -0.954 20 0 CBADRP C[NH2+]CCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001327595756 885423309 /nfs/dbraw/zinc/42/33/09/885423309.db2.gz DCJIJUGXYVCCPG-UHFFFAOYSA-N 2 0 252.322 -0.848 20 0 CBADRP [NH3+]CCCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001327682023 885449681 /nfs/dbraw/zinc/44/96/81/885449681.db2.gz ITGRXMHCYFJDRK-CHWSQXEVSA-N 2 0 296.415 -0.025 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCC2=CC[NH2+]CC2)n1 ZINC001327817700 885483791 /nfs/dbraw/zinc/48/37/91/885483791.db2.gz BWBVZCDTSOKZIN-UHFFFAOYSA-N 2 0 292.343 -0.640 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001446758162 912940951 /nfs/dbraw/zinc/94/09/51/912940951.db2.gz NEYGQVWMQJKUNB-JSGCOSHPSA-N 2 0 299.415 -0.596 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC001327919576 885529274 /nfs/dbraw/zinc/52/92/74/885529274.db2.gz TVIXCTLUZBIOGH-CHWSQXEVSA-N 2 0 296.415 -0.310 20 0 CBADRP COCCOC[C@@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001327978739 885545703 /nfs/dbraw/zinc/54/57/03/885545703.db2.gz RIIUFWYTQBTVSW-ZIAGYGMSSA-N 2 0 289.420 -0.764 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]CCO)CC2)C1 ZINC001328049518 885561573 /nfs/dbraw/zinc/56/15/73/885561573.db2.gz HSXQHCMVYJOWGA-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC001328236847 885608915 /nfs/dbraw/zinc/60/89/15/885608915.db2.gz UXNBXOAARDOFML-VHSXEESVSA-N 2 0 264.333 -0.624 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC001328236846 885610157 /nfs/dbraw/zinc/61/01/57/885610157.db2.gz UXNBXOAARDOFML-UWVGGRQHSA-N 2 0 264.333 -0.624 20 0 CBADRP CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001446801004 912955502 /nfs/dbraw/zinc/95/55/02/912955502.db2.gz ZVIXTNQVVUTQRX-HIFRSBDPSA-N 2 0 299.415 -0.330 20 0 CBADRP CSCC[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001328331800 885639666 /nfs/dbraw/zinc/63/96/66/885639666.db2.gz FRQBJSQYRBICFB-ZJUUUORDSA-N 2 0 261.391 -0.439 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCC[NH3+])C1 ZINC001328368015 885657377 /nfs/dbraw/zinc/65/73/77/885657377.db2.gz MGRDGVASZLFLIK-LLVKDONJSA-N 2 0 270.377 -0.558 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC001328370229 885660110 /nfs/dbraw/zinc/66/01/10/885660110.db2.gz MHKDWSNWPTUKCJ-WOPDTQHZSA-N 2 0 282.388 -0.737 20 0 CBADRP C(C1CC[NH2+]CC1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001328412217 885677232 /nfs/dbraw/zinc/67/72/32/885677232.db2.gz GUUPTGDLCPAFCQ-CQSZACIVSA-N 3 0 252.406 -0.035 20 0 CBADRP C[NH2+]CCCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001328437746 885686774 /nfs/dbraw/zinc/68/67/74/885686774.db2.gz RYTOGAUCRAVCHE-UHFFFAOYSA-N 2 0 266.349 -0.458 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC001328437581 885688047 /nfs/dbraw/zinc/68/80/47/885688047.db2.gz PLDJUJNHVCTWJS-QCNOEVLYSA-N 2 0 255.362 -0.064 20 0 CBADRP [NH3+]C1(CC(=O)NCCC[NH+]2CCC(O)CC2)CC1 ZINC001328456396 885693162 /nfs/dbraw/zinc/69/31/62/885693162.db2.gz WHFAOPOHLGLYOZ-UHFFFAOYSA-N 2 0 255.362 -0.169 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001328522405 885714697 /nfs/dbraw/zinc/71/46/97/885714697.db2.gz MFGMDEPXTYRVPN-WDEREUQCSA-N 2 0 268.361 -0.948 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001328522402 885716796 /nfs/dbraw/zinc/71/67/96/885716796.db2.gz MFGMDEPXTYRVPN-GHMZBOCLSA-N 2 0 268.361 -0.948 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC1C[NH2+]C1 ZINC001328732786 885794178 /nfs/dbraw/zinc/79/41/78/885794178.db2.gz NNFDDQSVODISFI-GHMZBOCLSA-N 2 0 268.361 -0.937 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001328974045 885866229 /nfs/dbraw/zinc/86/62/29/885866229.db2.gz NSCAAMPMUGOBCV-GXSJLCMTSA-N 2 0 268.361 -0.937 20 0 CBADRP COCC[NH2+]CCNC(=O)NCC1([NH3+])CCOCC1 ZINC001329052510 885903573 /nfs/dbraw/zinc/90/35/73/885903573.db2.gz AUUVSQDOOHSKCE-UHFFFAOYSA-N 2 0 274.365 -0.971 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001446971420 912988494 /nfs/dbraw/zinc/98/84/94/912988494.db2.gz KYQLZCNCLQBLQS-OLZOCXBDSA-N 2 0 298.431 -0.242 20 0 CBADRP C[NH2+][C@H](C)Cc1noc(-c2cn(CCC[NH3+])nn2)n1 ZINC001329413694 886054699 /nfs/dbraw/zinc/05/46/99/886054699.db2.gz IBZUDALKCHNAJX-MRVPVSSYSA-N 2 0 265.321 -0.173 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC001329429066 886062129 /nfs/dbraw/zinc/06/21/29/886062129.db2.gz YOFFLTMRUBWRMM-NWDGAFQWSA-N 2 0 254.378 -0.536 20 0 CBADRP CC[C@]1(C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC001329499159 886097867 /nfs/dbraw/zinc/09/78/67/886097867.db2.gz QOYXBCVJWQXMHU-AAEUAGOBSA-N 2 0 255.362 -0.048 20 0 CBADRP COC1(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC[NH2+]CC1 ZINC001329521857 886106038 /nfs/dbraw/zinc/10/60/38/886106038.db2.gz RQEGJMSXAAQZCG-NWDGAFQWSA-N 2 0 267.373 -0.035 20 0 CBADRP COCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001447049811 913010277 /nfs/dbraw/zinc/01/02/77/913010277.db2.gz YQQUNZUICYZRQS-UKRRQHHQSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CCCO ZINC001329613566 886143088 /nfs/dbraw/zinc/14/30/88/886143088.db2.gz PCDDNHKDGSWCMB-NWDGAFQWSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@H]([NH2+]CCCN1CCCS1(=O)=O)C1C[NH2+]C1 ZINC001329744087 886193224 /nfs/dbraw/zinc/19/32/24/886193224.db2.gz VTNAGQJKASVORD-JTQLQIEISA-N 2 0 261.391 -0.391 20 0 CBADRP CCN1CC(CCO)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001329695645 886179052 /nfs/dbraw/zinc/17/90/52/886179052.db2.gz ZMOIQWNVIPNDNF-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC001329760040 886198611 /nfs/dbraw/zinc/19/86/11/886198611.db2.gz PFINWQSFAVTYMF-UHFFFAOYSA-N 2 0 299.415 -0.018 20 0 CBADRP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001329926417 886282135 /nfs/dbraw/zinc/28/21/35/886282135.db2.gz SKWRGKFSLIARPF-KBPBESRZSA-N 3 0 280.416 -0.513 20 0 CBADRP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001329926419 886284216 /nfs/dbraw/zinc/28/42/16/886284216.db2.gz SKWRGKFSLIARPF-KGLIPLIRSA-N 3 0 280.416 -0.513 20 0 CBADRP O=C1C[C@H](C[NH2+]C2CCN([C@H]3CCOC3)CC2)CN1 ZINC001329942063 886292567 /nfs/dbraw/zinc/29/25/67/886292567.db2.gz VLRWMMSQXBEWPM-YPMHNXCESA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@]1(NC(=O)c2cn(CCC[NH3+])nn2)CC[NH2+]C1 ZINC001329950068 886295498 /nfs/dbraw/zinc/29/54/98/886295498.db2.gz IMJYJXJFIQXLLY-LLVKDONJSA-N 2 0 252.322 -0.891 20 0 CBADRP O=C(CC1CC[NH2+]CC1)N1CCOC2(C[NH2+]C2)C1 ZINC001329976250 886309971 /nfs/dbraw/zinc/30/99/71/886309971.db2.gz LKFSTNCSWVCJAZ-UHFFFAOYSA-N 2 0 253.346 -0.423 20 0 CBADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](CCOCCO)C1 ZINC001330032630 886331060 /nfs/dbraw/zinc/33/10/60/886331060.db2.gz VDBXPSJWXKBSIF-GXTWGEPZSA-N 2 0 299.415 -0.474 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001330024517 886332291 /nfs/dbraw/zinc/33/22/91/886332291.db2.gz RFTDWLJVOICEBO-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H](O)C[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001330049221 886337730 /nfs/dbraw/zinc/33/77/30/886337730.db2.gz UGUDLKUKJSEYQL-GHMZBOCLSA-N 2 0 257.378 -0.245 20 0 CBADRP C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)n1ccnc1 ZINC001330115284 886362731 /nfs/dbraw/zinc/36/27/31/886362731.db2.gz PTTOIMAPQODDCK-RYUDHWBXSA-N 2 0 293.371 -0.100 20 0 CBADRP C[C@H](C[NH3+])n1cc(CCN2CCC([NH3+])CC2)nn1 ZINC001330288961 886412378 /nfs/dbraw/zinc/41/23/78/886412378.db2.gz BXAKCANFLSKOHH-SNVBAGLBSA-N 2 0 252.366 -0.237 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001330518403 886465867 /nfs/dbraw/zinc/46/58/67/886465867.db2.gz AAWQCQLVEDHFLL-SDDRHHMPSA-N 2 0 284.404 -0.301 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)C1 ZINC001330528713 886470617 /nfs/dbraw/zinc/47/06/17/886470617.db2.gz NWWHMKYGUMKZPK-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC([NH3+])CC3)CC[C@H]21 ZINC001330568312 886483152 /nfs/dbraw/zinc/48/31/52/886483152.db2.gz SLXFYEDYCWRUSF-DGCLKSJQSA-N 2 0 294.399 -0.511 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N(C)CCC[NH3+] ZINC001330594482 886493424 /nfs/dbraw/zinc/49/34/24/886493424.db2.gz KZLGXLBAFARMJX-VXGBXAGGSA-N 2 0 284.404 -0.408 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3=NO[C@@H](C[NH3+])C3)CC[C@H]21 ZINC001330641123 886515029 /nfs/dbraw/zinc/51/50/29/886515029.db2.gz PTHQVCLYHGJBDX-CKYFFXLPSA-N 2 0 266.345 -0.357 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@@H]([NH3+])CCOC)CC1 ZINC001330880945 886614388 /nfs/dbraw/zinc/61/43/88/886614388.db2.gz WTOXBVASFBMALB-ZDUSSCGKSA-N 2 0 286.420 -0.506 20 0 CBADRP C[N@H+](CC(=O)NC[C@@]1(O)CC[NH+](C)C1)[C@@H]1CCC[C@H]1O ZINC001447361616 913062570 /nfs/dbraw/zinc/06/25/70/913062570.db2.gz MGGJSDSVMZXIAN-BZPMIXESSA-N 2 0 285.388 -0.986 20 0 CBADRP Nc1cc[nH+]c(CNC(=O)C[C@@H]2COCC[NH2+]2)c1 ZINC001330984055 886638595 /nfs/dbraw/zinc/63/85/95/886638595.db2.gz JTOCQMHPCJVTRD-LLVKDONJSA-N 2 0 250.302 -0.342 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001331014843 886646726 /nfs/dbraw/zinc/64/67/26/886646726.db2.gz DAIDNOPEXGCQTE-AXTSPUMRSA-N 2 0 259.300 -0.187 20 0 CBADRP O=C(CCC1C[NH2+]C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001331039854 886652516 /nfs/dbraw/zinc/65/25/16/886652516.db2.gz CRKNSXFLLAWTIW-CYBMUJFWSA-N 2 0 266.389 -0.508 20 0 CBADRP C[NH2+]CC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001331060320 886662614 /nfs/dbraw/zinc/66/26/14/886662614.db2.gz ZLDMLRNAACFDEO-LLVKDONJSA-N 2 0 268.361 -0.983 20 0 CBADRP C[NH2+]CC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001331060370 886663034 /nfs/dbraw/zinc/66/30/34/886663034.db2.gz ZLDMLRNAACFDEO-NSHDSACASA-N 2 0 268.361 -0.983 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331100383 886671083 /nfs/dbraw/zinc/67/10/83/886671083.db2.gz ZMNLMJJMMLVYKP-SDDRHHMPSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)CC[C@@H]1O ZINC001331108852 886676114 /nfs/dbraw/zinc/67/61/14/886676114.db2.gz GSJVPARDRUCTTE-YPMHNXCESA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331113899 886678360 /nfs/dbraw/zinc/67/83/60/886678360.db2.gz VRCDOODBTOCYMI-CYDGBPFRSA-N 2 0 296.415 -0.171 20 0 CBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331197291 886723187 /nfs/dbraw/zinc/72/31/87/886723187.db2.gz PKBCVJATNBMPEW-JHJVBQTASA-N 2 0 296.415 -0.312 20 0 CBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331196913 886723672 /nfs/dbraw/zinc/72/36/72/886723672.db2.gz PKBCVJATNBMPEW-AVGNSLFASA-N 2 0 296.415 -0.312 20 0 CBADRP C[NH+](C)CC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001331264895 886757146 /nfs/dbraw/zinc/75/71/46/886757146.db2.gz GVTTVXSQJFVQRM-GFCCVEGCSA-N 2 0 255.362 -0.083 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001331320870 886776070 /nfs/dbraw/zinc/77/60/70/886776070.db2.gz ZEBMUMXBJNSDGO-QWHCGFSZSA-N 2 0 298.431 -0.066 20 0 CBADRP COCC[NH2+]CC(=O)N(CCC[NH3+])CC(F)(F)F ZINC001331351043 886779675 /nfs/dbraw/zinc/77/96/75/886779675.db2.gz WAQMNWHWJANALJ-UHFFFAOYSA-N 2 0 271.283 -0.038 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N(CC[NH3+])CC(F)(F)F ZINC001331361481 886782905 /nfs/dbraw/zinc/78/29/05/886782905.db2.gz QGWKGTYPOQJHBP-SSDOTTSWSA-N 2 0 257.256 -0.300 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001331396055 886792618 /nfs/dbraw/zinc/79/26/18/886792618.db2.gz OCYCTVVEMMLYJY-SFYZADRCSA-N 2 0 250.293 -0.122 20 0 CBADRP C[C@H](C[NH3+])NC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001331396069 886793347 /nfs/dbraw/zinc/79/33/47/886793347.db2.gz OKISIKUGGSRYQZ-HTQZYQBOSA-N 2 0 250.293 -0.122 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001447451237 913080542 /nfs/dbraw/zinc/08/05/42/913080542.db2.gz JBRJRIJIDBXVAM-JOCQHMNTSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331413414 886795660 /nfs/dbraw/zinc/79/56/60/886795660.db2.gz POCMEGZNWZNXIM-NHCYSSNCSA-N 2 0 256.350 -0.911 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001331421961 886800989 /nfs/dbraw/zinc/80/09/89/886800989.db2.gz OCNKIBYVTUFELN-ZFWWWQNUSA-N 2 0 295.431 -0.135 20 0 CBADRP CN(CC[NH3+])C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001331468277 886813333 /nfs/dbraw/zinc/81/33/33/886813333.db2.gz VTUWQHIQENSHRY-MRVPVSSYSA-N 2 0 250.293 -0.169 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001331476085 886818640 /nfs/dbraw/zinc/81/86/40/886818640.db2.gz OJTAHLQZNQVYDM-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC001331573957 886852483 /nfs/dbraw/zinc/85/24/83/886852483.db2.gz HNLWIKRTEHWFHB-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001331655632 886886824 /nfs/dbraw/zinc/88/68/24/886886824.db2.gz DHVWFZBCNMGQTL-XQQFMLRXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC1CCC1 ZINC001331687034 886907101 /nfs/dbraw/zinc/90/71/01/886907101.db2.gz YLCVLFIYOHCPRE-CHWSQXEVSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)c1ccnc(C[NH3+])c1 ZINC001331713033 886929995 /nfs/dbraw/zinc/92/99/95/886929995.db2.gz RTDDGPHGFVTBGX-UHFFFAOYSA-N 2 0 266.345 -0.152 20 0 CBADRP COCC[NH2+][C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001331712914 886930338 /nfs/dbraw/zinc/93/03/38/886930338.db2.gz VVGNLDQUVUTDIT-STQMWFEESA-N 2 0 285.388 -0.959 20 0 CBADRP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CCOC2(C[NH2+]C2)C1 ZINC001331713152 886930428 /nfs/dbraw/zinc/93/04/28/886930428.db2.gz VCMRYYZRINQPFL-VHSXEESVSA-N 2 0 257.309 -0.865 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC001331727303 886939229 /nfs/dbraw/zinc/93/92/29/886939229.db2.gz YZYZNTGNWOULOS-DTWKUNHWSA-N 2 0 252.322 -0.893 20 0 CBADRP C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001447624482 913101419 /nfs/dbraw/zinc/10/14/19/913101419.db2.gz SIAWHOAABVSMDW-ZDUSSCGKSA-N 2 0 299.415 -0.594 20 0 CBADRP Cc1nc[nH]c1CC(=O)NC[C@@H](CO)[NH2+]CCCF ZINC001331818447 886997637 /nfs/dbraw/zinc/99/76/37/886997637.db2.gz GUXIQTYEZCTOJH-JTQLQIEISA-N 2 0 272.324 -0.313 20 0 CBADRP CC[C@H](C(=O)NC1(CO)CC[NH+](CCO)CC1)[NH+](C)C ZINC001447719198 913110431 /nfs/dbraw/zinc/11/04/31/913110431.db2.gz BEABQZRYFIFAFV-GFCCVEGCSA-N 2 0 287.404 -0.738 20 0 CBADRP C[C@H](CC[NH+]1CCN(C)CC1)NCc1ncnn1C ZINC001331898001 887035161 /nfs/dbraw/zinc/03/51/61/887035161.db2.gz NMUZXVWFDHBRSZ-GFCCVEGCSA-N 2 0 266.393 -0.069 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC001331914455 887041043 /nfs/dbraw/zinc/04/10/43/887041043.db2.gz JJTQQFQSEOAYMF-IUCAKERBSA-N 2 0 262.304 -0.026 20 0 CBADRP COCC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001447708393 913109073 /nfs/dbraw/zinc/10/90/73/913109073.db2.gz CVMSWVHOFOMRJS-ZDUSSCGKSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCO)C[C@@H]1C ZINC001332051808 887095052 /nfs/dbraw/zinc/09/50/52/887095052.db2.gz UFVPSZZJPCTMJA-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H](O)C[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001447736250 913112740 /nfs/dbraw/zinc/11/27/40/913112740.db2.gz BFLRTSGOILNIGF-OLZOCXBDSA-N 2 0 299.415 -0.738 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC[C@@H]21 ZINC001332115895 887116194 /nfs/dbraw/zinc/11/61/94/887116194.db2.gz JDDUBWURVFHSTM-XQQFMLRXSA-N 2 0 294.399 -0.511 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)nn1 ZINC001332152309 887132901 /nfs/dbraw/zinc/13/29/01/887132901.db2.gz OCSGMJXEVPMFGA-CQSZACIVSA-N 2 0 292.387 -0.157 20 0 CBADRP C[NH2+]C1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC001332159553 887137045 /nfs/dbraw/zinc/13/70/45/887137045.db2.gz ZXSICDFQGQRJRU-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)C1CC1 ZINC001332267649 887177875 /nfs/dbraw/zinc/17/78/75/887177875.db2.gz PVKNKAZWTBAIRD-STQMWFEESA-N 2 0 294.399 -0.450 20 0 CBADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001332293073 887185943 /nfs/dbraw/zinc/18/59/43/887185943.db2.gz VKJFPOKERYQPNV-WCFLWFBJSA-N 2 0 267.373 -0.443 20 0 CBADRP OCC[NH2+]C1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001332334317 887208156 /nfs/dbraw/zinc/20/81/56/887208156.db2.gz KGTRZYMKVULCHZ-ZDUSSCGKSA-N 2 0 269.389 -0.589 20 0 CBADRP C[C@@H](O)CCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001332357185 887220695 /nfs/dbraw/zinc/22/06/95/887220695.db2.gz PRQXZYDKTQYFEP-OLZOCXBDSA-N 2 0 259.394 -0.655 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC001332366394 887232080 /nfs/dbraw/zinc/23/20/80/887232080.db2.gz ZZRAVMBYZBZXNJ-GHMZBOCLSA-N 2 0 261.391 -0.250 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC001332366396 887232585 /nfs/dbraw/zinc/23/25/85/887232585.db2.gz ZZRAVMBYZBZXNJ-QWRGUYRKSA-N 2 0 261.391 -0.250 20 0 CBADRP CNC(=O)C[NH2+]CC1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001447800916 913126203 /nfs/dbraw/zinc/12/62/03/913126203.db2.gz YXTJZHCRBXZTIT-UHFFFAOYSA-N 2 0 296.415 -0.299 20 0 CBADRP Cn1ncc(C[NH2+]CC2CC(NC(=O)CC[NH+](C)C)C2)n1 ZINC001447802958 913126262 /nfs/dbraw/zinc/12/62/62/913126262.db2.gz BVMPMTHBOHPLGD-UHFFFAOYSA-N 2 0 294.403 -0.249 20 0 CBADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2ccnn2)C12CCC2 ZINC001332419226 887269703 /nfs/dbraw/zinc/26/97/03/887269703.db2.gz BIYYUZWYSWWEGR-GMTAPVOTSA-N 2 0 251.334 -0.502 20 0 CBADRP C[NH2+]CCC1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1 ZINC001332417142 887270392 /nfs/dbraw/zinc/27/03/92/887270392.db2.gz RQFVFJIVLPDFOE-UHFFFAOYSA-N 3 0 268.405 -0.260 20 0 CBADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC001332423488 887273743 /nfs/dbraw/zinc/27/37/43/887273743.db2.gz CIWWKENQTIMFCL-UHFFFAOYSA-N 3 0 266.389 -0.506 20 0 CBADRP CCCN(C(=O)CNC(=O)C[NH3+])C1CC[NH2+]CC1 ZINC001332431860 887278053 /nfs/dbraw/zinc/27/80/53/887278053.db2.gz MFBJLCQIIYPMBV-UHFFFAOYSA-N 2 0 256.350 -0.948 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001447822356 913134049 /nfs/dbraw/zinc/13/40/49/913134049.db2.gz KASFLSMSOFYGNT-UHFFFAOYSA-N 2 0 270.377 -0.704 20 0 CBADRP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+][C@H]2CCNC2=O)C1 ZINC001447818865 913135691 /nfs/dbraw/zinc/13/56/91/913135691.db2.gz FBVDNRWEPVHOEP-BPCQOVAHSA-N 2 0 296.415 -0.299 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC[C@@H]21 ZINC001332543053 887348550 /nfs/dbraw/zinc/34/85/50/887348550.db2.gz MOHPTRICRKAZQW-IEECTRCBSA-N 2 0 264.373 -0.060 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC001332556370 887351937 /nfs/dbraw/zinc/35/19/37/887351937.db2.gz DNCJJNKQHADHCX-GWOFURMSSA-N 2 0 256.350 -0.519 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC001332724991 887418020 /nfs/dbraw/zinc/41/80/20/887418020.db2.gz QKMOWDNLKMZTKA-ZIAGYGMSSA-N 2 0 299.463 -0.592 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001332945128 887484882 /nfs/dbraw/zinc/48/48/82/887484882.db2.gz JUOMKEQILSFCRX-TXEJJXNPSA-N 2 0 284.404 -0.489 20 0 CBADRP CCN1CCO[C@H](C(=O)N(C)C2CC([NH2+]CCCO)C2)C1 ZINC001333155096 887544365 /nfs/dbraw/zinc/54/43/65/887544365.db2.gz YCFUJYRWEORMKN-RUXDESIVSA-N 2 0 299.415 -0.332 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1CC(=O)N1CC[NH2+]CC1 ZINC001333162827 887546639 /nfs/dbraw/zinc/54/66/39/887546639.db2.gz HNGQUPDHOBZNCZ-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC001333179615 887554713 /nfs/dbraw/zinc/55/47/13/887554713.db2.gz WQDWVUCQSADBHB-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP CC1(C)[C@H](NC(=O)C2(O)C[NH2+]C2)[C@H]2CCC[NH2+][C@H]21 ZINC001333220631 887564407 /nfs/dbraw/zinc/56/44/07/887564407.db2.gz NXDZEEPQZCWQTP-IVZWLZJFSA-N 2 0 253.346 -0.787 20 0 CBADRP CN(CCOCC[NH2+]CCO)C(=O)C12CCC[NH+]1CCC2 ZINC001333234088 887567343 /nfs/dbraw/zinc/56/73/43/887567343.db2.gz WGJWQCQVFUPRCI-UHFFFAOYSA-N 2 0 299.415 -0.328 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001333237942 887568064 /nfs/dbraw/zinc/56/80/64/887568064.db2.gz WCUGJWMVUSNWRQ-NXEZZACHSA-N 2 0 254.334 -0.310 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCC2C[NH2+]C2)C1 ZINC001333335370 887599311 /nfs/dbraw/zinc/59/93/11/887599311.db2.gz DEJQKYPONBWTPE-CYBMUJFWSA-N 2 0 296.415 -0.310 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001333339075 887602181 /nfs/dbraw/zinc/60/21/81/887602181.db2.gz WBRDWHUNAWYGAC-ZMLRMANQSA-N 2 0 265.361 -0.329 20 0 CBADRP [NH3+]CCOCC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001333353897 887607418 /nfs/dbraw/zinc/60/74/18/887607418.db2.gz DXGOZYWVPWNWPS-ZDUSSCGKSA-N 2 0 285.388 -0.421 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)nn1 ZINC001333354283 887608073 /nfs/dbraw/zinc/60/80/73/887608073.db2.gz LUMRMVFLYGICFO-UWVGGRQHSA-N 2 0 264.333 -0.797 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC[N@@H+]1C ZINC001333378740 887615878 /nfs/dbraw/zinc/61/58/78/887615878.db2.gz GLLFUEDLEOXWLW-AVGNSLFASA-N 2 0 296.415 -0.075 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC001333380013 887616015 /nfs/dbraw/zinc/61/60/15/887616015.db2.gz WBIOOIRVZHELIM-AVGNSLFASA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC001333397699 887622053 /nfs/dbraw/zinc/62/20/53/887622053.db2.gz MNBRRZMDUYPPRW-VHSXEESVSA-N 2 0 268.361 -0.855 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001333397330 887622208 /nfs/dbraw/zinc/62/22/08/887622208.db2.gz ICZYMZFQXHFQNE-AVGNSLFASA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1=CC[N@H+](C)CC1 ZINC001333404767 887625445 /nfs/dbraw/zinc/62/54/45/887625445.db2.gz ICQLPNAMJPYYCU-GMXVVIOVSA-N 2 0 294.399 -0.394 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001333447810 887643071 /nfs/dbraw/zinc/64/30/71/887643071.db2.gz IRCHGVPYSJOUCJ-HAQNSBGRSA-N 2 0 284.404 -0.360 20 0 CBADRP CCN(C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)[C@@H]1CC[NH2+]C1 ZINC001333473736 887654123 /nfs/dbraw/zinc/65/41/23/887654123.db2.gz BAEPBPCCCAFLNI-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP C([C@H]1CCC2(C[NH2+]C2)O1)N1CC[NH2+]CC[NH2+]CC1 ZINC001333530163 887675574 /nfs/dbraw/zinc/67/55/74/887675574.db2.gz UXHPICUSSXGIHQ-GFCCVEGCSA-N 3 0 254.378 -0.998 20 0 CBADRP C[C@@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[C@H](C)[NH3+] ZINC001333531570 887676246 /nfs/dbraw/zinc/67/62/46/887676246.db2.gz BHYSDAMCZDTTJO-NKWVEPMBSA-N 2 0 268.321 -0.824 20 0 CBADRP C[N@H+](CCCO)C1CCN(C[C@H]2CNC(=O)C2)CC1 ZINC001333582127 887704472 /nfs/dbraw/zinc/70/44/72/887704472.db2.gz JYBAMKFRNQOCGC-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001333627015 887723000 /nfs/dbraw/zinc/72/30/00/887723000.db2.gz VDMOKWZGEJIAQW-QJPTWQEYSA-N 2 0 284.404 -0.171 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@H]2CCC[NH2+]CC2)nn1 ZINC001333629013 887726752 /nfs/dbraw/zinc/72/67/52/887726752.db2.gz FXILHTXOUJSZIR-VIFPVBQESA-N 2 0 252.322 -0.891 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)nn1 ZINC001333629653 887726772 /nfs/dbraw/zinc/72/67/72/887726772.db2.gz KSIUISKBVKRXDA-GXSJLCMTSA-N 2 0 264.333 -0.939 20 0 CBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001333635878 887729959 /nfs/dbraw/zinc/72/99/59/887729959.db2.gz MMBMDUUXVVKLHO-CHWSQXEVSA-N 2 0 285.388 -0.687 20 0 CBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001333635881 887730653 /nfs/dbraw/zinc/73/06/53/887730653.db2.gz MMBMDUUXVVKLHO-QWHCGFSZSA-N 2 0 285.388 -0.687 20 0 CBADRP NS(=O)(=O)C1CC[NH+](C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001334041004 887852193 /nfs/dbraw/zinc/85/21/93/887852193.db2.gz LTIOGKNLPWSIFS-VHSXEESVSA-N 2 0 261.391 -0.133 20 0 CBADRP Nc1cc[nH+]c(CNC(=O)NCCCN2CC[NH2+]CC2)c1 ZINC001334212647 887891907 /nfs/dbraw/zinc/89/19/07/887891907.db2.gz LCZJPMRAJOIQMJ-UHFFFAOYSA-N 2 0 292.387 -0.242 20 0 CBADRP O=C1N[C@@H]2C[N@H+](CCO)CC[C@H]2N1C1CC[NH2+]CC1 ZINC001334337836 887925799 /nfs/dbraw/zinc/92/57/99/887925799.db2.gz MQZFPWUSUZAVPU-VXGBXAGGSA-N 2 0 268.361 -0.801 20 0 CBADRP C[N@H+](CCOCC[NH3+])C[C@@H](O)COC1CCOCC1 ZINC001334339191 887928042 /nfs/dbraw/zinc/92/80/42/887928042.db2.gz WLIULZFGXLHJTR-GFCCVEGCSA-N 2 0 276.377 -0.550 20 0 CBADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001334736869 888304604 /nfs/dbraw/zinc/30/46/04/888304604.db2.gz CEEKEMIXVQZEEU-JYJNAYRXSA-N 3 0 294.443 -0.266 20 0 CBADRP OCCN1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC001334762103 888312485 /nfs/dbraw/zinc/31/24/85/888312485.db2.gz FDZKRAUBHIQCLC-UONOGXRCSA-N 2 0 269.389 -0.635 20 0 CBADRP OCCN1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC001334762104 888313127 /nfs/dbraw/zinc/31/31/27/888313127.db2.gz FDZKRAUBHIQCLC-ZIAGYGMSSA-N 2 0 269.389 -0.635 20 0 CBADRP OCCN1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC001334762102 888314615 /nfs/dbraw/zinc/31/46/15/888314615.db2.gz FDZKRAUBHIQCLC-KGLIPLIRSA-N 2 0 269.389 -0.635 20 0 CBADRP CC[C@H](C(=O)N1CC(N2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001334934574 888364831 /nfs/dbraw/zinc/36/48/31/888364831.db2.gz HDJRGZNEEWBMEU-CYBMUJFWSA-N 2 0 268.405 -0.215 20 0 CBADRP CC(C)NS(=O)(=O)NCC[NH2+]CC1CC[NH+](C)CC1 ZINC001335002308 888379103 /nfs/dbraw/zinc/37/91/03/888379103.db2.gz YMCBFFYWZPIIKF-UHFFFAOYSA-N 2 0 292.449 -0.250 20 0 CBADRP C[NH+]1CCC(NCc2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC001335146137 888424750 /nfs/dbraw/zinc/42/47/50/888424750.db2.gz GQPFTILWRFUHRC-CYBMUJFWSA-N 2 0 264.377 -0.004 20 0 CBADRP C[C@H]1C[N@H+](CC(=O)N2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC001335180446 888435150 /nfs/dbraw/zinc/43/51/50/888435150.db2.gz HCOVASJELDSHPF-NWDGAFQWSA-N 3 0 254.378 -0.665 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)C(=O)NC3C[NH2+]C3)C[C@H]2C1 ZINC001335234945 888460567 /nfs/dbraw/zinc/46/05/67/888460567.db2.gz RGUACWSMGRPSRP-DMDPSCGWSA-N 2 0 294.399 -0.737 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CCN(C)CC[NH+](C)CC1 ZINC001335243974 888463692 /nfs/dbraw/zinc/46/36/92/888463692.db2.gz NGSQJCSOPZJMOY-CQSZACIVSA-N 2 0 272.437 -0.522 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)c1ccn(CCC[NH3+])n1 ZINC001335265048 888476571 /nfs/dbraw/zinc/47/65/71/888476571.db2.gz PHVQEBMXPWOIFV-SNVBAGLBSA-N 2 0 253.350 -0.183 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2[NH2+]CC23CCOCC3)C1 ZINC001335266223 888476777 /nfs/dbraw/zinc/47/67/77/888476777.db2.gz VMOLJSBRQJESEK-GHMZBOCLSA-N 2 0 253.346 -0.425 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC001335275393 888478600 /nfs/dbraw/zinc/47/86/00/888478600.db2.gz BGRAJQWTYQIQHH-UPJWGTAASA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@]1([NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)CCNC1=O ZINC001335288627 888485690 /nfs/dbraw/zinc/48/56/90/888485690.db2.gz HOBOPUUYXGLFFK-MFKMUULPSA-N 2 0 268.361 -0.948 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001335378770 888520781 /nfs/dbraw/zinc/52/07/81/888520781.db2.gz JIQLYEWULTXAGK-TUAOUCFPSA-N 2 0 284.404 -0.267 20 0 CBADRP C[N@@H+]1CCCC[C@H](C[NH2+]CCC(=O)NC(N)=O)C1 ZINC001335475942 888540605 /nfs/dbraw/zinc/54/06/05/888540605.db2.gz GNHXRYRWJAPTSE-SNVBAGLBSA-N 2 0 256.350 -0.107 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)C[C@H]1[NH3+] ZINC001335568582 888567042 /nfs/dbraw/zinc/56/70/42/888567042.db2.gz NYKHBJZFRIUFPR-GMTAPVOTSA-N 2 0 256.350 -0.647 20 0 CBADRP C[C@H]1CN(C(=O)NCCOCCC[NH3+])CC[C@H]1C[NH3+] ZINC001335616999 888582636 /nfs/dbraw/zinc/58/26/36/888582636.db2.gz DFWHXCBGMQOSNT-RYUDHWBXSA-N 2 0 272.393 -0.022 20 0 CBADRP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001335618810 888582649 /nfs/dbraw/zinc/58/26/49/888582649.db2.gz SJLIHLAUZBYLSW-DMDPSCGWSA-N 2 0 268.361 -0.502 20 0 CBADRP CCO[C@H](CNC(=O)N(C)CCC[NH3+])C[NH+](C)C ZINC001335629189 888587638 /nfs/dbraw/zinc/58/76/38/888587638.db2.gz LLGIIRUJGACLCO-LLVKDONJSA-N 2 0 260.382 -0.057 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC001335752324 888621203 /nfs/dbraw/zinc/62/12/03/888621203.db2.gz WXRXEISEFRYXEZ-YFKTTZPYSA-N 2 0 282.388 -0.561 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@H]1[NH2+]CC12CCOCC2 ZINC001335842425 888643276 /nfs/dbraw/zinc/64/32/76/888643276.db2.gz BKRGBBGRAGTHHS-CYBMUJFWSA-N 2 0 296.415 -0.834 20 0 CBADRP C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)C1 ZINC001335933781 888655269 /nfs/dbraw/zinc/65/52/69/888655269.db2.gz MALNVDJUIOAYDE-AGIUHOORSA-N 2 0 258.362 -0.570 20 0 CBADRP CC[NH+]1CCN(CCC[NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001335935870 888657868 /nfs/dbraw/zinc/65/78/68/888657868.db2.gz YIFTVKWNUQNKJD-OAHLLOKOSA-N 2 0 295.431 -0.139 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(C)CC[NH+](C)CC2)CC1 ZINC001335969256 888662910 /nfs/dbraw/zinc/66/29/10/888662910.db2.gz RXMHEYUBSKMEBL-HNNXBMFYSA-N 3 0 298.475 -0.084 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)CC1 ZINC001336306600 888741135 /nfs/dbraw/zinc/74/11/35/888741135.db2.gz CUZWJTUCCHXVRQ-FZKCQIBNSA-N 2 0 295.427 -0.225 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC001336554262 888794891 /nfs/dbraw/zinc/79/48/91/888794891.db2.gz RHILBTQHOKOJOI-MNOVXSKESA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)C[C@H]1[NH3+] ZINC001336629016 888821394 /nfs/dbraw/zinc/82/13/94/888821394.db2.gz VXUBFFDGIJKRGR-DGCLKSJQSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001336650942 888834604 /nfs/dbraw/zinc/83/46/04/888834604.db2.gz XFTAFGBUZZOBCY-YVECIDJPSA-N 2 0 296.415 -0.362 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC001336678289 888843942 /nfs/dbraw/zinc/84/39/42/888843942.db2.gz YRVWIUMARMKZIO-VXGBXAGGSA-N 2 0 296.415 -0.489 20 0 CBADRP CN(C(=O)c1ccn(CCC[NH3+])n1)[C@H]1CC[NH2+]C1 ZINC001336687642 888846933 /nfs/dbraw/zinc/84/69/33/888846933.db2.gz PKTDFDOIDYAKIG-JTQLQIEISA-N 2 0 251.334 -0.334 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)[C@@H]2OCC[C@@H]2[NH3+])cn1 ZINC001336722261 888856467 /nfs/dbraw/zinc/85/64/67/888856467.db2.gz PLRDVTXRLYTGAB-WDEREUQCSA-N 2 0 267.333 -0.501 20 0 CBADRP CCN1CC[NH+](CCCCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC001336720989 888857106 /nfs/dbraw/zinc/85/71/06/888857106.db2.gz JFPLSSDXBPLQJW-UONOGXRCSA-N 2 0 298.431 -0.364 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CN3CCC2CC3)CC1 ZINC001336762802 888871906 /nfs/dbraw/zinc/87/19/06/888871906.db2.gz JDGQWOJXQJUXHK-GJZGRUSLSA-N 2 0 282.432 -0.722 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CN3CCC2CC3)CC1 ZINC001336762801 888872017 /nfs/dbraw/zinc/87/20/17/888872017.db2.gz JDGQWOJXQJUXHK-CABCVRRESA-N 2 0 282.432 -0.722 20 0 CBADRP C[C@H](O)[C@H](C)[NH2+]CC(=O)NCC[NH+]1CCCCC1 ZINC001336829821 888895454 /nfs/dbraw/zinc/89/54/54/888895454.db2.gz FHBBIKSZRKKYCM-RYUDHWBXSA-N 2 0 257.378 -0.053 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC001336941507 888928182 /nfs/dbraw/zinc/92/81/82/888928182.db2.gz LHHKSXQMXFGJCW-GFCCVEGCSA-N 2 0 269.393 -0.587 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001337024279 888950808 /nfs/dbraw/zinc/95/08/08/888950808.db2.gz OTYWPQDWURGZRO-OUAUKWLOSA-N 2 0 256.350 -0.586 20 0 CBADRP C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCNCC[NH2+]CC1 ZINC001337062657 888956971 /nfs/dbraw/zinc/95/69/71/888956971.db2.gz OWKOSXNBYGVFSG-ZDUSSCGKSA-N 2 0 283.420 -0.325 20 0 CBADRP C[NH+](C)C1CN(C(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001337200877 888975275 /nfs/dbraw/zinc/97/52/75/888975275.db2.gz NYPVGJPCHMPEJX-UHFFFAOYSA-N 2 0 255.362 -0.537 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001337309009 888990282 /nfs/dbraw/zinc/99/02/82/888990282.db2.gz HAWQKFRDGVHRBL-ZJUUUORDSA-N 2 0 268.361 -0.855 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001337309007 888990356 /nfs/dbraw/zinc/99/03/56/888990356.db2.gz HAWQKFRDGVHRBL-VHSXEESVSA-N 2 0 268.361 -0.855 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC001337308429 888991011 /nfs/dbraw/zinc/99/10/11/888991011.db2.gz FNQABDUIFBAQPC-CYBMUJFWSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC001337441599 889011466 /nfs/dbraw/zinc/01/14/66/889011466.db2.gz UDIMYTVRVJJSDJ-YFKTTZPYSA-N 2 0 294.399 -0.419 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001337472600 889017716 /nfs/dbraw/zinc/01/77/16/889017716.db2.gz YPANJVCNZWZBCE-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CN1CCN(CC(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC001337590533 889046365 /nfs/dbraw/zinc/04/63/65/889046365.db2.gz IUCVVXHGJAVLAO-CYBMUJFWSA-N 2 0 268.405 -0.356 20 0 CBADRP [NH3+][C@H]1CCCN(Cc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC001337621808 889056332 /nfs/dbraw/zinc/05/63/32/889056332.db2.gz YPQUDOPQYGTANC-CMPLNLGQSA-N 2 0 250.350 -0.264 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001448511676 913312957 /nfs/dbraw/zinc/31/29/57/913312957.db2.gz RZDBMXJKMDOACZ-IJLUTSLNSA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[C@@H]1[NH3+] ZINC001338373541 889151616 /nfs/dbraw/zinc/15/16/16/889151616.db2.gz GWOWOLDCANBDHF-WOPDTQHZSA-N 2 0 282.388 -0.621 20 0 CBADRP [NH3+]C1(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001338518337 889170304 /nfs/dbraw/zinc/17/03/04/889170304.db2.gz ALBWGHXTLKSANK-MNOVXSKESA-N 2 0 268.361 -0.360 20 0 CBADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001448532252 913317695 /nfs/dbraw/zinc/31/76/95/913317695.db2.gz ZCRPWIFWINGSCE-CYDGBPFRSA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)NCCN1CCC([NH3+])CC1 ZINC001338627511 889183729 /nfs/dbraw/zinc/18/37/29/889183729.db2.gz VESNADAQIOMBMM-SNVBAGLBSA-N 2 0 257.382 -0.697 20 0 CBADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCNCC[NH2+]CC1 ZINC001338642043 889183964 /nfs/dbraw/zinc/18/39/64/889183964.db2.gz WVSZCGAJJQPJLW-MGPQQGTHSA-N 2 0 295.431 -0.421 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC001338639843 889184152 /nfs/dbraw/zinc/18/41/52/889184152.db2.gz AUYLHSIVYHWOCR-OUAUKWLOSA-N 2 0 258.366 -0.258 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)N1CCNCC[NH2+]CC1 ZINC001338627752 889184251 /nfs/dbraw/zinc/18/42/51/889184251.db2.gz YSMZPUPCWNLHCR-UHFFFAOYSA-N 2 0 271.409 -0.421 20 0 CBADRP [NH3+]C/C=C\CNC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001338642420 889184675 /nfs/dbraw/zinc/18/46/75/889184675.db2.gz ZXXYPWYVRYQIEY-UDSFMNFJSA-N 2 0 282.388 -0.041 20 0 CBADRP CC(C)(C[NH3+])NC(=O)NCCN1CCC([NH3+])CC1 ZINC001338688460 889192298 /nfs/dbraw/zinc/19/22/98/889192298.db2.gz UAGHVQWFDKFXCJ-UHFFFAOYSA-N 2 0 257.382 -0.554 20 0 CBADRP [NH3+][C@@H]1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC001339223727 889253020 /nfs/dbraw/zinc/25/30/20/889253020.db2.gz LRPJKHGVRVWIEH-GHMZBOCLSA-N 2 0 250.350 -0.264 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC001339708943 889311640 /nfs/dbraw/zinc/31/16/40/889311640.db2.gz JMJYMIIYMNBZGC-JHJVBQTASA-N 2 0 266.389 -0.510 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC001339716669 889313074 /nfs/dbraw/zinc/31/30/74/889313074.db2.gz WOSIMTWIGVHJAN-OPRDCNLKSA-N 2 0 257.334 -0.537 20 0 CBADRP Cc1csc2nc(CNC(C[NH3+])C[NH3+])cc(=O)n12 ZINC001339915195 889343859 /nfs/dbraw/zinc/34/38/59/889343859.db2.gz SAKDUHQRGNUDFI-UHFFFAOYSA-N 2 0 267.358 -0.560 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001448643354 913337673 /nfs/dbraw/zinc/33/76/73/913337673.db2.gz CQOMXVRPUDBVAK-YNEHKIRRSA-N 2 0 298.431 -0.101 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001340042341 889369931 /nfs/dbraw/zinc/36/99/31/889369931.db2.gz VXTBCAVBWPBVPW-DGCLKSJQSA-N 2 0 287.404 -0.834 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NCCCC[NH+]1CCOCC1 ZINC001340042506 889370172 /nfs/dbraw/zinc/37/01/72/889370172.db2.gz ZPFCOCKYFXWVFR-HNNXBMFYSA-N 2 0 299.415 -0.280 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001340041469 889370529 /nfs/dbraw/zinc/37/05/29/889370529.db2.gz KCVXLHOZIBXFBO-YRGRVCCFSA-N 2 0 269.389 -0.053 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])COC)CC1 ZINC001340078836 889380368 /nfs/dbraw/zinc/38/03/68/889380368.db2.gz YLKZHYSIWUVUOQ-LBPRGKRZSA-N 2 0 273.377 -0.423 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001448659209 913341370 /nfs/dbraw/zinc/34/13/70/913341370.db2.gz QTSVPRQFRVXCOU-YPMHNXCESA-N 2 0 296.415 -0.489 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)C2([NH2+]C)CCC2)CC1 ZINC001340114214 889386278 /nfs/dbraw/zinc/38/62/78/889386278.db2.gz WLWPXLFUVOHPDT-UHFFFAOYSA-N 2 0 268.405 -0.118 20 0 CBADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[NH2+]CCN2C)CC[N@@H+]1C ZINC001340105578 889386591 /nfs/dbraw/zinc/38/65/91/889386591.db2.gz NZVUGJLFUPEJLJ-FRRDWIJNSA-N 2 0 268.405 -0.169 20 0 CBADRP CCC[NH2+]CCNC(=O)C[NH+]1CCC(CO)CC1 ZINC001340118215 889388486 /nfs/dbraw/zinc/38/84/86/889388486.db2.gz GUDZUUSPTWERPN-UHFFFAOYSA-N 2 0 257.378 -0.194 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001448659206 913341617 /nfs/dbraw/zinc/34/16/17/913341617.db2.gz QTSVPRQFRVXCOU-WCQYABFASA-N 2 0 296.415 -0.489 20 0 CBADRP CC(C)[C@H]1CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC[NH2+]1 ZINC001340150067 889399261 /nfs/dbraw/zinc/39/92/61/889399261.db2.gz YUKPROMVOWGZPM-OCCSQVGLSA-N 2 0 269.389 -0.053 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340165559 889401623 /nfs/dbraw/zinc/40/16/23/889401623.db2.gz UEIZFKVIMKYIOI-VIFPVBQESA-N 2 0 254.334 -0.262 20 0 CBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001340187400 889405149 /nfs/dbraw/zinc/40/51/49/889405149.db2.gz ZGIOUELHIKWQRX-GWCFXTLKSA-N 2 0 255.362 -0.252 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1=O ZINC001340180120 889405984 /nfs/dbraw/zinc/40/59/84/889405984.db2.gz AZWQHMLXNRFABA-WOPDTQHZSA-N 2 0 280.372 -0.996 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001340199272 889408589 /nfs/dbraw/zinc/40/85/89/889408589.db2.gz FPHGGYZABYTICT-YPMHNXCESA-N 2 0 257.378 -0.053 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC001340251515 889413668 /nfs/dbraw/zinc/41/36/68/889413668.db2.gz YICDFQRSHUMNPB-CHWSQXEVSA-N 2 0 268.405 -0.275 20 0 CBADRP C[C@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@@H](O)C[NH2+]1 ZINC001340282150 889416722 /nfs/dbraw/zinc/41/67/22/889416722.db2.gz PEEGSVMXZLFVDO-LSCVPOLPSA-N 2 0 253.346 -0.548 20 0 CBADRP C[C@]1(CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CCC[NH2+]C1 ZINC001340266660 889417835 /nfs/dbraw/zinc/41/78/35/889417835.db2.gz OQDZRICOFHFXNN-WFASDCNBSA-N 2 0 296.415 -0.310 20 0 CBADRP [NH3+][C@H](CO)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001340287095 889419142 /nfs/dbraw/zinc/41/91/42/889419142.db2.gz LOJHWUNSVXXSNL-RTXFEEFZSA-N 2 0 267.373 -0.219 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001340296256 889420316 /nfs/dbraw/zinc/42/03/16/889420316.db2.gz HJTQQYBTPZRYLJ-RFHZTLPTSA-N 2 0 269.389 -0.006 20 0 CBADRP C[NH+]1CCN(c2ccc(NC(=O)CNCC[NH3+])cn2)CC1 ZINC001340319903 889422202 /nfs/dbraw/zinc/42/22/02/889422202.db2.gz NXSVYOYTNBLNJD-UHFFFAOYSA-N 2 0 292.387 -0.680 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH2+]C(C)(C)C1 ZINC001340319349 889422694 /nfs/dbraw/zinc/42/26/94/889422694.db2.gz JLEMYIKMVXQBHA-NEPJUHHUSA-N 2 0 266.389 -0.415 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340312068 889423110 /nfs/dbraw/zinc/42/31/10/889423110.db2.gz LPAOQWXXTWRMMC-IUCAKERBSA-N 2 0 254.334 -0.263 20 0 CBADRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001340339623 889425544 /nfs/dbraw/zinc/42/55/44/889425544.db2.gz GCZOZGVZNXRBFU-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001340364531 889428786 /nfs/dbraw/zinc/42/87/86/889428786.db2.gz JOQGLXZLUAGVAO-OUAUKWLOSA-N 2 0 267.373 -0.003 20 0 CBADRP [NH3+]CCNCC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC001340469557 889436905 /nfs/dbraw/zinc/43/69/05/889436905.db2.gz NOTVSQQNAVRKQZ-NWDGAFQWSA-N 2 0 254.378 -0.475 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC001340477807 889437681 /nfs/dbraw/zinc/43/76/81/889437681.db2.gz PSFSKPVMXRJOER-NHCYSSNCSA-N 2 0 257.378 -0.211 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)CC(C)(C)C[NH3+] ZINC001340486476 889438985 /nfs/dbraw/zinc/43/89/85/889438985.db2.gz UQAGSMDDJVGJHF-NEPJUHHUSA-N 2 0 268.405 -0.182 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001340478972 889439578 /nfs/dbraw/zinc/43/95/78/889439578.db2.gz VYJSWKQXVJYXFB-SRVKXCTJSA-N 2 0 254.378 -0.654 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1[NH2+]CC12CCOCC2)[NH+](C)C ZINC001340526314 889441602 /nfs/dbraw/zinc/44/16/02/889441602.db2.gz CHMKEECYIUHLOT-QWRGUYRKSA-N 2 0 255.362 -0.179 20 0 CBADRP CC(C)(CC[NH3+])NC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340498361 889441840 /nfs/dbraw/zinc/44/18/40/889441840.db2.gz NEPHFLYCWCOGML-VIFPVBQESA-N 2 0 268.361 -0.950 20 0 CBADRP [NH3+][C@@H](CNC(=O)[C@H]1[NH2+]CC12CCOCC2)C1CC1 ZINC001340528991 889443360 /nfs/dbraw/zinc/44/33/60/889443360.db2.gz IJOLJAFTOYSEOY-WDEREUQCSA-N 2 0 253.346 -0.392 20 0 CBADRP C[C@]1(C(=O)NCCC2CC[NH2+]CC2)C[C@@H](O)C[NH2+]1 ZINC001340560495 889449099 /nfs/dbraw/zinc/44/90/99/889449099.db2.gz XTKPOKXYJNDVSL-DGCLKSJQSA-N 2 0 255.362 -0.395 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001340674597 889464316 /nfs/dbraw/zinc/46/43/16/889464316.db2.gz NAUJFLCOXSDSTB-ZDUSSCGKSA-N 2 0 284.404 -0.883 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001340705268 889471322 /nfs/dbraw/zinc/47/13/22/889471322.db2.gz PGXDSMPSKQFKOI-MNOVXSKESA-N 2 0 255.362 -0.585 20 0 CBADRP [NH3+]Cc1cc(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)co1 ZINC001340724881 889473213 /nfs/dbraw/zinc/47/32/13/889473213.db2.gz BEPYZKXVINBFAD-LLVKDONJSA-N 2 0 267.329 -0.075 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC001340747193 889480317 /nfs/dbraw/zinc/48/03/17/889480317.db2.gz KDPXBVFHZRAJOY-MNOVXSKESA-N 2 0 255.362 -0.585 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)C1 ZINC001340787575 889487403 /nfs/dbraw/zinc/48/74/03/889487403.db2.gz NAUBOFBMUDUIEC-GBIKHYSHSA-N 2 0 266.345 -0.262 20 0 CBADRP C[C@H](NC(=O)C1(C[NH3+])CC(O)C1)C1CC[NH2+]CC1 ZINC001340787106 889487762 /nfs/dbraw/zinc/48/77/62/889487762.db2.gz KNZWECZWOXSIMC-FJJSSXBZSA-N 2 0 255.362 -0.410 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])CO)CC[C@@H]1C(F)(F)F ZINC001340827478 889492676 /nfs/dbraw/zinc/49/26/76/889492676.db2.gz SSJJHJCIQOFJTK-BIIVOSGPSA-N 2 0 269.267 -0.708 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001340832842 889493346 /nfs/dbraw/zinc/49/33/46/889493346.db2.gz OCDWKGQDWFWHEG-CQSZACIVSA-N 2 0 298.387 -0.421 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[C@H](O)C[NH2+]1 ZINC001340843656 889495343 /nfs/dbraw/zinc/49/53/43/889495343.db2.gz JULZGRUGOSUEJX-MBNYWOFBSA-N 2 0 267.373 -0.204 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001340837624 889496155 /nfs/dbraw/zinc/49/61/55/889496155.db2.gz BRHXKWLXFNUAPH-NEPJUHHUSA-N 2 0 255.362 -0.217 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001340852588 889498448 /nfs/dbraw/zinc/49/84/48/889498448.db2.gz IBHDZRPGJFATSS-WXHSDQCUSA-N 2 0 269.389 -0.197 20 0 CBADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]([NH3+])CO)C1 ZINC001340881927 889503082 /nfs/dbraw/zinc/50/30/82/889503082.db2.gz UNPKBPMYPHVOND-NWDGAFQWSA-N 2 0 255.362 -0.504 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001340888330 889505633 /nfs/dbraw/zinc/50/56/33/889505633.db2.gz SHZHVTRXZFGPCE-FIQHERPVSA-N 2 0 257.378 -0.164 20 0 CBADRP C[NH+](C)C1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001340892427 889506501 /nfs/dbraw/zinc/50/65/01/889506501.db2.gz GKEMFKOACHFQOA-AAEUAGOBSA-N 2 0 255.362 -0.348 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001340891897 889506548 /nfs/dbraw/zinc/50/65/48/889506548.db2.gz BZPJKAQGEGNZNL-SRVKXCTJSA-N 2 0 252.362 -0.805 20 0 CBADRP CCC[NH2+]CCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001340893973 889508944 /nfs/dbraw/zinc/50/89/44/889508944.db2.gz MGVJTQWGFSULMZ-LLVKDONJSA-N 2 0 270.377 -0.701 20 0 CBADRP C[C@]1(C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@@H](O)C[NH2+]1 ZINC001340906213 889509888 /nfs/dbraw/zinc/50/98/88/889509888.db2.gz MIONXARQSHPGRA-KGYLQXTDSA-N 2 0 255.362 -0.395 20 0 CBADRP O=C([C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001340900661 889509964 /nfs/dbraw/zinc/50/99/64/889509964.db2.gz MROGAZQBWDWLKW-DCJFZGGZSA-N 2 0 264.329 -0.878 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C12CC(C1)C[NH2+]2 ZINC001340897003 889510094 /nfs/dbraw/zinc/51/00/94/889510094.db2.gz ZBFBYTQTOWWDEN-DCBWTQNWSA-N 2 0 266.389 -0.510 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1=O ZINC001340915017 889513545 /nfs/dbraw/zinc/51/35/45/889513545.db2.gz CWXAUSBZMKONMD-XQQFMLRXSA-N 2 0 294.399 -0.463 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001340942616 889519087 /nfs/dbraw/zinc/51/90/87/889519087.db2.gz FALAWFXTIKUCTG-STQMWFEESA-N 2 0 269.389 -0.066 20 0 CBADRP CC(C)[NH+]1CCC(C(=O)N2CC[NH2+]C[C@@H]2CO)CC1 ZINC001340955347 889523090 /nfs/dbraw/zinc/52/30/90/889523090.db2.gz ZZRNQTSISHXHBH-CYBMUJFWSA-N 2 0 269.389 -0.101 20 0 CBADRP CC(C)([NH3+])CCNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001340966431 889523802 /nfs/dbraw/zinc/52/38/02/889523802.db2.gz IWHFLENIQSGNBU-JTQLQIEISA-N 2 0 255.362 -0.001 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CNCC[NH3+])C1 ZINC001340987622 889526696 /nfs/dbraw/zinc/52/66/96/889526696.db2.gz XISCRMDEFUGZFX-RYUDHWBXSA-N 2 0 254.378 -0.523 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCN1CCC([NH3+])CC1 ZINC001341056725 889536005 /nfs/dbraw/zinc/53/60/05/889536005.db2.gz OKMJDHJHYGYMFV-SDEBIZQBSA-N 2 0 280.416 -0.063 20 0 CBADRP [NH3+]CC(=O)NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001341047452 889537174 /nfs/dbraw/zinc/53/71/74/889537174.db2.gz BJMDWAVCATWNEO-UHFFFAOYSA-N 2 0 262.357 -0.333 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)C[NH2+]CC2CC2)CC1 ZINC001341056439 889537627 /nfs/dbraw/zinc/53/76/27/889537627.db2.gz JHQXATUHQRUMAY-UHFFFAOYSA-N 2 0 254.378 -0.475 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)N2CCNCC[NH2+]CC2)CCOCC1 ZINC001341098931 889541510 /nfs/dbraw/zinc/54/15/10/889541510.db2.gz ARXAWJGVWQWHSD-GFCCVEGCSA-N 2 0 284.404 -0.848 20 0 CBADRP [NH3+]CCc1ccc(C(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC001341096072 889542008 /nfs/dbraw/zinc/54/20/08/889542008.db2.gz FFDOTZXEWNJYDZ-CYBMUJFWSA-N 2 0 263.341 -0.094 20 0 CBADRP CC[C@]1(C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC[NH2+]C1 ZINC001341115811 889545045 /nfs/dbraw/zinc/54/50/45/889545045.db2.gz JNZJTLFAPXAEMY-STQMWFEESA-N 2 0 255.362 -0.312 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC(C)(C)CC[NH3+] ZINC001341129807 889548311 /nfs/dbraw/zinc/54/83/11/889548311.db2.gz LXQMXSLFGWHKDT-QWRGUYRKSA-N 2 0 254.378 -0.382 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)c1cn(CC[NH3+])nn1 ZINC001341145666 889550430 /nfs/dbraw/zinc/55/04/30/889550430.db2.gz QSLRKBYECSQANL-LPEHRKFASA-N 2 0 266.349 -0.552 20 0 CBADRP CCN1CCO[C@H](C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC001341160052 889550490 /nfs/dbraw/zinc/55/04/90/889550490.db2.gz YKHLLKUWUMYXIO-XQQFMLRXSA-N 2 0 267.373 -0.225 20 0 CBADRP CCN1CCO[C@@H](C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC001341160054 889550544 /nfs/dbraw/zinc/55/05/44/889550544.db2.gz YKHLLKUWUMYXIO-YNEHKIRRSA-N 2 0 267.373 -0.225 20 0 CBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001341178934 889554973 /nfs/dbraw/zinc/55/49/73/889554973.db2.gz YALQWIFSPMQYMF-FMCLSXCISA-N 2 0 267.373 -0.001 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001341206132 889557508 /nfs/dbraw/zinc/55/75/08/889557508.db2.gz LHZBFNPQMOTRGJ-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)C1 ZINC001341241148 889561576 /nfs/dbraw/zinc/56/15/76/889561576.db2.gz WZDBUARJRZPSJH-YKEDUJKTSA-N 2 0 267.373 -0.146 20 0 CBADRP C[C@@H]1CN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)C[C@H]1[NH3+] ZINC001341255082 889564452 /nfs/dbraw/zinc/56/44/52/889564452.db2.gz CXPLTRIVMHOACZ-GIPNMCIBSA-N 2 0 266.345 -0.310 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC001341242398 889564478 /nfs/dbraw/zinc/56/44/78/889564478.db2.gz BABMRZYOZCGFNR-USZNOCQGSA-N 2 0 257.378 -0.069 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC(C[NH3+])CC1 ZINC001341351425 889580987 /nfs/dbraw/zinc/58/09/87/889580987.db2.gz BSCSNZQSRIJAOQ-WCQYABFASA-N 2 0 266.389 -0.428 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001341402281 889588681 /nfs/dbraw/zinc/58/86/81/889588681.db2.gz JZEXAVKVCSPXLG-GHMZBOCLSA-N 2 0 255.362 -0.131 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001341402284 889590064 /nfs/dbraw/zinc/59/00/64/889590064.db2.gz JZEXAVKVCSPXLG-MNOVXSKESA-N 2 0 255.362 -0.131 20 0 CBADRP CN1CCN(C(=O)CC(C)(C)[NH3+])CC[N@H+](C)CC1 ZINC001341394336 889590362 /nfs/dbraw/zinc/59/03/62/889590362.db2.gz AKXRCXJFAITNKL-UHFFFAOYSA-N 2 0 256.394 -0.180 20 0 CBADRP C[C@H](CC(=O)N[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CCC[NH2+]C1 ZINC001341416905 889592325 /nfs/dbraw/zinc/59/23/25/889592325.db2.gz DHEJYOVXUBXJQV-KKOKHZNYSA-N 2 0 255.362 -0.539 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC001341467073 889601030 /nfs/dbraw/zinc/60/10/30/889601030.db2.gz QWPNJQWKLRMNMO-ZWNOBZJWSA-N 2 0 255.362 -0.144 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC001341467068 889601078 /nfs/dbraw/zinc/60/10/78/889601078.db2.gz QWPNJQWKLRMNMO-GWCFXTLKSA-N 2 0 255.362 -0.144 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001341457489 889602277 /nfs/dbraw/zinc/60/22/77/889602277.db2.gz JDZALRITEGCNAF-BZPMIXESSA-N 2 0 267.373 -0.177 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC001341473569 889603625 /nfs/dbraw/zinc/60/36/25/889603625.db2.gz UMZQRQSJZOWXPC-RDBSUJKOSA-N 2 0 299.415 -0.033 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC001341473560 889603795 /nfs/dbraw/zinc/60/37/95/889603795.db2.gz UMZQRQSJZOWXPC-HZSPNIEDSA-N 2 0 299.415 -0.033 20 0 CBADRP COc1ccc([C@@H]2CN(C(=O)CNCC[NH3+])C[C@H]2[NH3+])cc1 ZINC001341529153 889614819 /nfs/dbraw/zinc/61/48/19/889614819.db2.gz FUCKUCAFEXOMTI-UONOGXRCSA-N 2 0 292.383 -0.503 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC001341530802 889616949 /nfs/dbraw/zinc/61/69/49/889616949.db2.gz YBYSZVRJEKTQGL-UMNHJUIQSA-N 2 0 257.378 -0.293 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC001341530801 889618331 /nfs/dbraw/zinc/61/83/31/889618331.db2.gz YBYSZVRJEKTQGL-HOSYDEDBSA-N 2 0 257.378 -0.293 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001341553797 889620759 /nfs/dbraw/zinc/62/07/59/889620759.db2.gz BQDZIWFPLBREJY-DCBWTQNWSA-N 2 0 269.389 -0.066 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC001341572197 889622624 /nfs/dbraw/zinc/62/26/24/889622624.db2.gz YJRLTYRZDDPSSW-USWWRNFRSA-N 2 0 257.378 -0.341 20 0 CBADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]([NH3+])CO)C[C@@H](C)O1 ZINC001341569865 889623261 /nfs/dbraw/zinc/62/32/61/889623261.db2.gz ADGRYJBZJYBBBA-IJLUTSLNSA-N 2 0 273.377 -0.688 20 0 CBADRP C[C@H](CC(=O)N1CC[NH2+]C[C@H]1CO)[C@@H]1CCC[NH2+]C1 ZINC001341579945 889626298 /nfs/dbraw/zinc/62/62/98/889626298.db2.gz MKPQRCQSOXZCLL-UPJWGTAASA-N 2 0 269.389 -0.195 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC001341574311 889626747 /nfs/dbraw/zinc/62/67/47/889626747.db2.gz RACOLVCTGQLJSV-GHMZBOCLSA-N 2 0 255.362 -0.179 20 0 CBADRP CC[N@H+](CCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1)C1CC1 ZINC001341584955 889628347 /nfs/dbraw/zinc/62/83/47/889628347.db2.gz KLJPNTQFBPVGOM-YPMHNXCESA-N 2 0 255.362 -0.300 20 0 CBADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CC[NH2+]CC1)C2 ZINC001341594769 889629730 /nfs/dbraw/zinc/62/97/30/889629730.db2.gz QVFHXNKLSLFVHR-SRVKXCTJSA-N 2 0 252.362 -0.770 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)CC2CC([NH3+])C2)C1 ZINC001341605668 889632099 /nfs/dbraw/zinc/63/20/99/889632099.db2.gz QOOVZUYEXTWMQL-HTAVTVPLSA-N 2 0 255.362 -0.049 20 0 CBADRP COC[C@H]([NH3+])C(=O)NCC[NH+]1CCC(OC)CC1 ZINC001341620118 889634825 /nfs/dbraw/zinc/63/48/25/889634825.db2.gz UANRKRHDAPIRRW-NSHDSACASA-N 2 0 259.350 -0.813 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC001341640529 889637230 /nfs/dbraw/zinc/63/72/30/889637230.db2.gz PHFGIOFVUQEOAF-BLFANLJRSA-N 2 0 253.346 -0.439 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC001341641013 889637590 /nfs/dbraw/zinc/63/75/90/889637590.db2.gz VIWNHXWLHPJAQE-VHSXEESVSA-N 2 0 277.315 -0.322 20 0 CBADRP C[NH+](C)C(C)(C)CNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001341629644 889638081 /nfs/dbraw/zinc/63/80/81/889638081.db2.gz IAWAQZIFJXQTKA-ZDUSSCGKSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001341644891 889639528 /nfs/dbraw/zinc/63/95/28/889639528.db2.gz BBGVTJZWIXYBMR-WOPDTQHZSA-N 2 0 282.388 -0.845 20 0 CBADRP C[C@@]1(C(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@H](O)C[NH2+]1 ZINC001341641987 889639451 /nfs/dbraw/zinc/63/94/51/889639451.db2.gz FMSHMHBMRGIVDF-AAEUAGOBSA-N 2 0 267.373 -0.299 20 0 CBADRP C[C@]1(C(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@@H](O)C[NH2+]1 ZINC001341641989 889640672 /nfs/dbraw/zinc/64/06/72/889640672.db2.gz FMSHMHBMRGIVDF-DGCLKSJQSA-N 2 0 267.373 -0.299 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001341652505 889640290 /nfs/dbraw/zinc/64/02/90/889640290.db2.gz NWUZHWZUVDNXMO-GHMZBOCLSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001341652189 889640544 /nfs/dbraw/zinc/64/05/44/889640544.db2.gz KHWIQBHXWGQZNE-TUAOUCFPSA-N 2 0 267.373 -0.001 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C[C@@H](O)C[NH3+])C[C@H](C)O1 ZINC001341645440 889640706 /nfs/dbraw/zinc/64/07/06/889640706.db2.gz ZITCJBQVEQTKQV-GRYCIOLGSA-N 2 0 273.377 -0.688 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC[NH2+]1 ZINC001341660036 889641707 /nfs/dbraw/zinc/64/17/07/889641707.db2.gz QHHKSEXBKXLOEP-YVECIDJPSA-N 2 0 266.389 -0.369 20 0 CBADRP C[NH2+]CCC(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001341663455 889641902 /nfs/dbraw/zinc/64/19/02/889641902.db2.gz KEEGDATVTVFXSZ-CWSCBRNRSA-N 2 0 269.345 -0.665 20 0 CBADRP [NH3+][C@@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C12CCC2 ZINC001341656384 889641980 /nfs/dbraw/zinc/64/19/80/889641980.db2.gz SJYDLROZPKPBIQ-MIJXAVMKSA-N 2 0 265.357 -0.392 20 0 CBADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CCN(CCO)CC1 ZINC001341673239 889646286 /nfs/dbraw/zinc/64/62/86/889646286.db2.gz BDZUMALOIRRWMV-GFCCVEGCSA-N 2 0 257.378 -0.114 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001341715282 889652430 /nfs/dbraw/zinc/65/24/30/889652430.db2.gz SXVLXFVYCLYXSE-YPMHNXCESA-N 2 0 273.377 -0.816 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001341732178 889654465 /nfs/dbraw/zinc/65/44/65/889654465.db2.gz ILEQMSYLDRUYOE-QLFBSQMISA-N 2 0 294.443 -0.014 20 0 CBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC001341723131 889655377 /nfs/dbraw/zinc/65/53/77/889655377.db2.gz WWEDGWWJUBNVQM-CHWSQXEVSA-N 2 0 297.399 -0.028 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001341732174 889655485 /nfs/dbraw/zinc/65/54/85/889655485.db2.gz ILEQMSYLDRUYOE-ILXRZTDVSA-N 2 0 294.443 -0.014 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001341733049 889655503 /nfs/dbraw/zinc/65/55/03/889655503.db2.gz NTIZYLBQTVDNLG-WUWHUORYSA-N 2 0 267.373 -0.302 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC001341748008 889657955 /nfs/dbraw/zinc/65/79/55/889657955.db2.gz LNIQULPPSSRTQV-MNOVXSKESA-N 2 0 257.378 -0.291 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001341776508 889660173 /nfs/dbraw/zinc/66/01/73/889660173.db2.gz POUPFYXOWAWMJK-AAEUAGOBSA-N 2 0 255.362 -0.348 20 0 CBADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001341776874 889661339 /nfs/dbraw/zinc/66/13/39/889661339.db2.gz CCDLTHBBXLIHLO-XFWSIPNHSA-N 2 0 259.300 -0.045 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001341794579 889663529 /nfs/dbraw/zinc/66/35/29/889663529.db2.gz FBMPHDZJJAXDSU-BBBLOLIVSA-N 2 0 255.318 -0.913 20 0 CBADRP [NH3+]CC[C@H]1CCCCN1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001341785378 889663703 /nfs/dbraw/zinc/66/37/03/889663703.db2.gz BSDAVAHIBGAVGR-OLZOCXBDSA-N 2 0 296.415 -0.086 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001341823568 889668308 /nfs/dbraw/zinc/66/83/08/889668308.db2.gz PULCKCCLJMWMIO-CQSZACIVSA-N 2 0 297.447 -0.918 20 0 CBADRP C[NH+]1CCN(C2CC[NH+](C[C@@H](O)CO)CC2)CC1 ZINC001341816841 889669147 /nfs/dbraw/zinc/66/91/47/889669147.db2.gz FSWMRRPPIZILED-CYBMUJFWSA-N 2 0 257.378 -0.949 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001341839842 889671372 /nfs/dbraw/zinc/67/13/72/889671372.db2.gz TYHKUPNEBIKDJS-WDEREUQCSA-N 2 0 255.362 -0.062 20 0 CBADRP CC(C)[C@H](C(=O)N1CCNCC[NH2+]CC1)[NH+](C)C ZINC001341855214 889674477 /nfs/dbraw/zinc/67/44/77/889674477.db2.gz WRXPYPUZVVFIBT-GFCCVEGCSA-N 2 0 256.394 -0.406 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC001341858950 889676768 /nfs/dbraw/zinc/67/67/68/889676768.db2.gz NKJUSPRWPLCVQX-AAEUAGOBSA-N 2 0 255.362 -0.169 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCN2C)CC[C@@H]1C[NH3+] ZINC001341878774 889678440 /nfs/dbraw/zinc/67/84/40/889678440.db2.gz QOVUTPXKDXHXSF-IJLUTSLNSA-N 2 0 254.378 -0.667 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NC1(C[NH3+])CCCCC1 ZINC001342290807 889747991 /nfs/dbraw/zinc/74/79/91/889747991.db2.gz NHFJUBJOUYNZQI-GHMZBOCLSA-N 2 0 257.378 -0.019 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C[NH+]1CCC(CO)CC1 ZINC001342009808 889696488 /nfs/dbraw/zinc/69/64/88/889696488.db2.gz ZGCWQNYKXMKUOX-GHMZBOCLSA-N 2 0 257.378 -0.067 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)CN1CC[NH2+]CC1 ZINC001342011852 889696585 /nfs/dbraw/zinc/69/65/85/889696585.db2.gz WMFDMVKVDIKNIA-UHFFFAOYSA-N 2 0 254.378 -0.650 20 0 CBADRP C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@H]1C[N@H+](C)CCN1C ZINC001342033155 889701609 /nfs/dbraw/zinc/70/16/09/889701609.db2.gz CPMIKFJCWBRHLM-YNEHKIRRSA-N 2 0 268.405 -0.264 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@H]1CCC[NH2+]CC1 ZINC001342127145 889714807 /nfs/dbraw/zinc/71/48/07/889714807.db2.gz SWHUFUHVTJTLJV-QWRGUYRKSA-N 2 0 253.346 -0.377 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC001342175120 889725997 /nfs/dbraw/zinc/72/59/97/889725997.db2.gz CQVZSIZAUJWUTL-ONGXEEELSA-N 2 0 258.366 -0.800 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)nn1 ZINC001342188860 889729076 /nfs/dbraw/zinc/72/90/76/889729076.db2.gz SMMSZHPGGRGQOB-OUAUKWLOSA-N 2 0 278.360 -0.360 20 0 CBADRP [NH3+]CCNCC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC001342220135 889733134 /nfs/dbraw/zinc/73/31/34/889733134.db2.gz NQYWRKOHZRIZES-BDAKNGLRSA-N 2 0 282.310 -0.480 20 0 CBADRP [NH3+][C@H](CO)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC001342230081 889736539 /nfs/dbraw/zinc/73/65/39/889736539.db2.gz BJGKDAMMFQYZBJ-VXGBXAGGSA-N 2 0 265.313 -0.394 20 0 CBADRP [NH3+]CCNCC(=O)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001342239525 889737526 /nfs/dbraw/zinc/73/75/26/889737526.db2.gz UBYJJDKHNXVJAR-ZDUSSCGKSA-N 2 0 254.378 -0.331 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC001342265445 889741042 /nfs/dbraw/zinc/74/10/42/889741042.db2.gz AGONCEINBUOAHL-TUAOUCFPSA-N 2 0 257.378 -0.067 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC[C@H]1F ZINC001342265366 889741266 /nfs/dbraw/zinc/74/12/66/889741266.db2.gz MHOUJEMZSHBJPQ-FOGDFJRCSA-N 2 0 259.325 -0.611 20 0 CBADRP O=C(C[NH+]1CCC(CO)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001342273860 889744502 /nfs/dbraw/zinc/74/45/02/889744502.db2.gz YSAQUWKVVBEAPC-RYUDHWBXSA-N 2 0 253.346 -0.737 20 0 CBADRP C[C@]1(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C[C@H](O)C[NH2+]1 ZINC001342286242 889746302 /nfs/dbraw/zinc/74/63/02/889746302.db2.gz URLVJJHMLNIFAW-DJIHRAIXSA-N 2 0 253.346 -0.561 20 0 CBADRP C[C@]1(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C[C@H](O)C[NH2+]1 ZINC001342286248 889746997 /nfs/dbraw/zinc/74/69/97/889746997.db2.gz URLVJJHMLNIFAW-YRRQLQLVSA-N 2 0 253.346 -0.561 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)CC1CC[NH2+]CC1 ZINC001342299082 889749972 /nfs/dbraw/zinc/74/99/72/889749972.db2.gz YHRDDOCJUAZQOK-LBPRGKRZSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)C[C@@]2(O)CCC[NH2+]C2)C[NH2+]1 ZINC001342319511 889752421 /nfs/dbraw/zinc/75/24/21/889752421.db2.gz AVOPDQDHGHYIDV-MDZLAQPJSA-N 2 0 255.362 -0.252 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001342338517 889756373 /nfs/dbraw/zinc/75/63/73/889756373.db2.gz UMPBXMVANVUPPP-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001342350077 889758335 /nfs/dbraw/zinc/75/83/35/889758335.db2.gz RDRLGEMOVAZGLT-CIQGVGRVSA-N 2 0 267.373 -0.206 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC001342480498 889780349 /nfs/dbraw/zinc/78/03/49/889780349.db2.gz FBYBXOKVDHZZFJ-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001342476293 889781037 /nfs/dbraw/zinc/78/10/37/889781037.db2.gz MYPPUUYRJSFCSX-BWZBUEFSSA-N 2 0 269.267 -0.302 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1csc(CC[NH3+])n1 ZINC001342499010 889786682 /nfs/dbraw/zinc/78/66/82/889786682.db2.gz JDVSHGCYVXPJAS-HTQZYQBOSA-N 2 0 254.359 -0.018 20 0 CBADRP COC[C@]1(C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)CC[NH2+]C1 ZINC001342514787 889786868 /nfs/dbraw/zinc/78/68/68/889786868.db2.gz WKYISYNGWDVBPJ-BZPMIXESSA-N 2 0 269.389 -0.026 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC001342509059 889787160 /nfs/dbraw/zinc/78/71/60/889787160.db2.gz JODHOLGIVZMJJM-BDAKNGLRSA-N 2 0 263.345 -0.359 20 0 CBADRP NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001342537026 889789847 /nfs/dbraw/zinc/78/98/47/889789847.db2.gz WPTPTVKULCXVQI-TXEJJXNPSA-N 2 0 280.372 -0.711 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)C[C@H]1CC[NH3+] ZINC001342523488 889789927 /nfs/dbraw/zinc/78/99/27/889789927.db2.gz MJZMRMDSMOTQLS-IJLUTSLNSA-N 2 0 256.394 -0.291 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[NH2+]CC1 ZINC001342554889 889791756 /nfs/dbraw/zinc/79/17/56/889791756.db2.gz OPOYVFCCOLOZIL-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP CC1(C)CN(C(=O)C[C@]2(O)CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC001342570779 889794809 /nfs/dbraw/zinc/79/48/09/889794809.db2.gz ABZXTRQEYWZKRB-GXFFZTMASA-N 2 0 255.362 -0.313 20 0 CBADRP [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H]1CC[NH2+]1)CC2 ZINC001342615195 889800573 /nfs/dbraw/zinc/80/05/73/889800573.db2.gz NVRVWLNNWMSFKM-WDEREUQCSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC001342635554 889806539 /nfs/dbraw/zinc/80/65/39/889806539.db2.gz UHRJQBSKRFUIEU-DGCLKSJQSA-N 2 0 255.362 -0.061 20 0 CBADRP CN[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)c1cnn(C)c1 ZINC001342650822 889810456 /nfs/dbraw/zinc/81/04/56/889810456.db2.gz UYQFSTZYMLILOL-JLLWLGSASA-N 2 0 265.361 -0.111 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCNCC[NH2+]CC1)c1ccccc1 ZINC001342704913 889818063 /nfs/dbraw/zinc/81/80/63/889818063.db2.gz OMLZUMNLGFULMK-CYBMUJFWSA-N 2 0 262.357 -0.292 20 0 CBADRP [NH3+]C1(C(=O)N2CCNCC[NH2+]CC2)CCCCC1 ZINC001342721144 889821297 /nfs/dbraw/zinc/82/12/97/889821297.db2.gz UUTGHANJQKFAFM-UHFFFAOYSA-N 2 0 254.378 -0.331 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)C[C@H]1C[NH3+] ZINC001342757207 889824741 /nfs/dbraw/zinc/82/47/41/889824741.db2.gz KJWWZLDWRNGWBQ-LPWJVIDDSA-N 2 0 266.389 -0.572 20 0 CBADRP CN(C(=O)[C@@]1(F)CC[NH2+]C1)C1(C[NH3+])CCOCC1 ZINC001342849571 889835454 /nfs/dbraw/zinc/83/54/54/889835454.db2.gz DRPBEAKFNCUODG-GFCCVEGCSA-N 2 0 259.325 -0.346 20 0 CBADRP [NH3+][C@H]1C[C@@H](NC(=O)C2CC3(C2)C[C@@H]([NH3+])CCO3)C1 ZINC001342844714 889835754 /nfs/dbraw/zinc/83/57/54/889835754.db2.gz XFFSMXWCIFULGZ-RMQVTFPSSA-N 2 0 253.346 -0.121 20 0 CBADRP CN1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC[N@H+](C)CC1 ZINC001342915150 889844817 /nfs/dbraw/zinc/84/48/17/889844817.db2.gz VOUSFAFCODSXDM-STQMWFEESA-N 2 0 284.404 -0.944 20 0 CBADRP CN1CCN(C(=O)c2ccnc(C[NH3+])c2)CC[N@H+](C)CC1 ZINC001342915035 889845497 /nfs/dbraw/zinc/84/54/97/889845497.db2.gz UTRAGEHJILCGLW-UHFFFAOYSA-N 2 0 291.399 -0.140 20 0 CBADRP CN1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC[N@H+](C)CC1 ZINC001342912978 889845660 /nfs/dbraw/zinc/84/56/60/889845660.db2.gz HDIXIOOPYXVLNI-CQSZACIVSA-N 2 0 298.431 -0.539 20 0 CBADRP CN(C(=O)C[C@H]1CC[NH2+]C1)C1(C[NH3+])CCOCC1 ZINC001342957634 889847570 /nfs/dbraw/zinc/84/75/70/889847570.db2.gz AFUNAVQRIMVOOA-LLVKDONJSA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCC1([NH3+])CCCCC1 ZINC001343022569 889855348 /nfs/dbraw/zinc/85/53/48/889855348.db2.gz QEEUXQAEABIMSB-GHMZBOCLSA-N 2 0 257.378 -0.019 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC001343039484 889859480 /nfs/dbraw/zinc/85/94/80/889859480.db2.gz YKQBIABFPIXTRR-AGIUHOORSA-N 2 0 266.389 -0.510 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC001343022617 889859733 /nfs/dbraw/zinc/85/97/33/889859733.db2.gz RFLLWNPHXGCKNZ-SDDRHHMPSA-N 2 0 257.378 -0.339 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[C@H]1CC[NH2+]C1 ZINC001343039487 889859737 /nfs/dbraw/zinc/85/97/37/889859737.db2.gz YKQBIABFPIXTRR-UPJWGTAASA-N 2 0 266.389 -0.510 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC001343022620 889859754 /nfs/dbraw/zinc/85/97/54/889859754.db2.gz RFLLWNPHXGCKNZ-WOPDTQHZSA-N 2 0 257.378 -0.339 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001343088543 889868222 /nfs/dbraw/zinc/86/82/22/889868222.db2.gz XOJBBKCXLOFNEQ-FIQHERPVSA-N 2 0 252.362 -0.772 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C[C@H](C)O1 ZINC001343372773 889897144 /nfs/dbraw/zinc/89/71/44/889897144.db2.gz XPJKKFCEJTWOKY-XFMPKHEZSA-N 2 0 299.415 -0.285 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001343394431 889899600 /nfs/dbraw/zinc/89/96/00/889899600.db2.gz ZCYLOKUYEGLBCS-AAEUAGOBSA-N 2 0 273.377 -0.816 20 0 CBADRP C[C@@H](CNC(=O)C[C@H](O)C[NH3+])[NH+]1CCC(C)CC1 ZINC001343407528 889901349 /nfs/dbraw/zinc/90/13/49/889901349.db2.gz DYJPIRQOHXOOCP-RYUDHWBXSA-N 2 0 257.378 -0.067 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001343409832 889901863 /nfs/dbraw/zinc/90/18/63/889901863.db2.gz SSAXXAAIDKKKCR-QJPTWQEYSA-N 2 0 255.362 -0.179 20 0 CBADRP [NH3+]CC1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC(O)C1 ZINC001343407285 889902407 /nfs/dbraw/zinc/90/24/07/889902407.db2.gz AMRDLNBPGOONAU-FJJSSXBZSA-N 2 0 253.346 -0.561 20 0 CBADRP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)O)C1 ZINC001343407721 889904001 /nfs/dbraw/zinc/90/40/01/889904001.db2.gz KCECTJNMBDRMSG-GHMZBOCLSA-N 2 0 257.378 -0.067 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)[C@@H](N)CC[NH+](C)C ZINC001343652887 889942392 /nfs/dbraw/zinc/94/23/92/889942392.db2.gz KVJCICZOQQUFDW-LBPRGKRZSA-N 2 0 256.394 -0.277 20 0 CBADRP Cn1nccc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001448819115 913401099 /nfs/dbraw/zinc/40/10/99/913401099.db2.gz DUZXTHHCBPVDRG-AAEUAGOBSA-N 2 0 295.387 -0.919 20 0 CBADRP C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)[C@@H]1C[N@H+](C)CCN1C ZINC001343492029 889921257 /nfs/dbraw/zinc/92/12/57/889921257.db2.gz UTSIWRXHKLHHCB-XQQFMLRXSA-N 2 0 268.405 -0.121 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001343510490 889925668 /nfs/dbraw/zinc/92/56/68/889925668.db2.gz PTBHDUQPGDRBRW-OLZOCXBDSA-N 2 0 268.405 -0.227 20 0 CBADRP C[NH2+]CCC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001343565819 889931269 /nfs/dbraw/zinc/93/12/69/889931269.db2.gz ANSCXMVECIATPO-VXGBXAGGSA-N 2 0 255.362 -0.347 20 0 CBADRP C[NH2+]CCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001343565815 889931940 /nfs/dbraw/zinc/93/19/40/889931940.db2.gz ANSCXMVECIATPO-NEPJUHHUSA-N 2 0 255.362 -0.347 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC001343568550 889934485 /nfs/dbraw/zinc/93/44/85/889934485.db2.gz KHNMJMVZBMPHLJ-LBPRGKRZSA-N 2 0 255.362 -0.177 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CC[NH2+]CC3)[C@@H]2C1 ZINC001343592655 889938159 /nfs/dbraw/zinc/93/81/59/889938159.db2.gz PIBCLQWRCVQQLC-YNEHKIRRSA-N 2 0 266.389 -0.652 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001343591018 889938999 /nfs/dbraw/zinc/93/89/99/889938999.db2.gz AWBGNSAFTQHRFC-FVCCEPFGSA-N 2 0 268.405 -0.278 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCC2(CC[NH2+]2)CC1 ZINC001343701349 889949328 /nfs/dbraw/zinc/94/93/28/889949328.db2.gz RKQSRAWGRQOAML-AWEZNQCLSA-N 2 0 267.373 -0.155 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N[C@@H]2C[NH2+]CC23CC3)nn1 ZINC001343733642 889958881 /nfs/dbraw/zinc/95/88/81/889958881.db2.gz WTCKWXVRKSUMJZ-LLVKDONJSA-N 2 0 278.360 -0.501 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NCC[C@@H]1CCC[NH2+]CC1 ZINC001343764689 889962686 /nfs/dbraw/zinc/96/26/86/889962686.db2.gz KIBFPBNNZXLECS-OLZOCXBDSA-N 2 0 268.405 -0.214 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NCC[C@H]1CCC[NH2+]CC1 ZINC001343764696 889963279 /nfs/dbraw/zinc/96/32/79/889963279.db2.gz KIBFPBNNZXLECS-STQMWFEESA-N 2 0 268.405 -0.214 20 0 CBADRP [NH3+]CC1(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CCCC1 ZINC001344001130 889988264 /nfs/dbraw/zinc/98/82/64/889988264.db2.gz ZZAYFBOKFRLICG-JTQLQIEISA-N 2 0 253.346 -0.247 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)C[NH+]1CCC(CO)CC1 ZINC001344024441 889989536 /nfs/dbraw/zinc/98/95/36/889989536.db2.gz QKAKJQCXANPXLQ-UHFFFAOYSA-N 2 0 267.373 -0.360 20 0 CBADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001344010862 889989852 /nfs/dbraw/zinc/98/98/52/889989852.db2.gz GOKJZBIZLOAQDD-RRNNCXACSA-N 2 0 265.357 -0.211 20 0 CBADRP C[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]([NH3+])c1ccccc1 ZINC001344082641 889999398 /nfs/dbraw/zinc/99/93/98/889999398.db2.gz YPBDBTHKXHNTET-FOUMNBMASA-N 2 0 263.341 -0.229 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001344081842 889999675 /nfs/dbraw/zinc/99/96/75/889999675.db2.gz PGQCRDPRIIOQMB-RWMBFGLXSA-N 2 0 261.325 -0.850 20 0 CBADRP C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)[C@H]([NH3+])c1ccccc1 ZINC001344082642 889999898 /nfs/dbraw/zinc/99/98/98/889999898.db2.gz YPBDBTHKXHNTET-RYDUCSDGSA-N 2 0 263.341 -0.229 20 0 CBADRP [NH3+]CC1(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC(O)C1 ZINC001344103073 890004626 /nfs/dbraw/zinc/00/46/26/890004626.db2.gz UQFAPTRFERNJAG-AXNUBFLRSA-N 2 0 253.346 -0.574 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC001344343174 890015257 /nfs/dbraw/zinc/01/52/57/890015257.db2.gz FNBPZBOOXMOBQY-KXNHARMFSA-N 2 0 255.362 -0.336 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001344439237 890024946 /nfs/dbraw/zinc/02/49/46/890024946.db2.gz VXMRKQCHLXIMGJ-BXKDBHETSA-N 2 0 254.334 -0.630 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCC(C)(C)[NH3+] ZINC001344548247 890038982 /nfs/dbraw/zinc/03/89/82/890038982.db2.gz MRZZORIOLHCULV-WDEREUQCSA-N 2 0 254.378 -0.382 20 0 CBADRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC001344846505 890075346 /nfs/dbraw/zinc/07/53/46/890075346.db2.gz NMXJORPOBNJJJZ-XKNYDFJKSA-N 2 0 254.334 -0.313 20 0 CBADRP C[C@H]1[C@@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)CC[N@@H+]1C ZINC001344876742 890075792 /nfs/dbraw/zinc/07/57/92/890075792.db2.gz JMYHKLDHDBHZRJ-WPRPVWTQSA-N 2 0 263.345 -0.122 20 0 CBADRP C[NH2+]CCC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001344920318 890081796 /nfs/dbraw/zinc/08/17/96/890081796.db2.gz NYLZMUIRPCEXIS-UHFFFAOYSA-N 2 0 256.394 -0.212 20 0 CBADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CCNCC[NH2+]CC1 ZINC001344963339 890086199 /nfs/dbraw/zinc/08/61/99/890086199.db2.gz OTKMOGQTVPLQHG-RYUDHWBXSA-N 2 0 256.394 -0.229 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001344987814 890085850 /nfs/dbraw/zinc/08/58/50/890085850.db2.gz HZGXCUAWZRKJGP-LOWVWBTDSA-N 2 0 255.362 -0.184 20 0 CBADRP COC[C@@]1(C(=O)N[C@H]2C[NH2+]CC2(C)C)CC[NH2+]C1 ZINC001345383012 890125234 /nfs/dbraw/zinc/12/52/34/890125234.db2.gz XBOKXVNEHODRDL-GXFFZTMASA-N 2 0 255.362 -0.273 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCC[NH+]1CCCC1 ZINC001345536334 890140122 /nfs/dbraw/zinc/14/01/22/890140122.db2.gz JLJNAJHQXFVGPY-UONOGXRCSA-N 2 0 280.416 -0.023 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001345537386 890140274 /nfs/dbraw/zinc/14/02/74/890140274.db2.gz URHQUCPLTQSSGC-WCQYABFASA-N 2 0 266.389 -0.415 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC001345578207 890142473 /nfs/dbraw/zinc/14/24/73/890142473.db2.gz SLQOMYPDBURVQA-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC001345600139 890146132 /nfs/dbraw/zinc/14/61/32/890146132.db2.gz AOMJDUZFPBDAEU-GVXVVHGQSA-N 2 0 254.378 -0.395 20 0 CBADRP COC(=O)CCCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001345607213 890146693 /nfs/dbraw/zinc/14/66/93/890146693.db2.gz VTEJGNYJDDNAPW-ZDUSSCGKSA-N 2 0 287.404 -0.472 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])CC(=O)OC)CC1 ZINC001345812781 890169659 /nfs/dbraw/zinc/16/96/59/890169659.db2.gz PPXAELMWYTWRCD-JTQLQIEISA-N 2 0 257.334 -0.665 20 0 CBADRP C[NH2+]CCCC(=O)N=c1nc(C2CC[NH2+]CC2)[nH]n1C ZINC001345912467 890180547 /nfs/dbraw/zinc/18/05/47/890180547.db2.gz IRMZBCSOZGQWHV-UHFFFAOYSA-N 2 0 280.376 -0.358 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC001345982932 890189649 /nfs/dbraw/zinc/18/96/49/890189649.db2.gz OJUPBZKLACKOIG-AOOOYVTPSA-N 2 0 268.361 -0.950 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]C1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001346048198 890203715 /nfs/dbraw/zinc/20/37/15/890203715.db2.gz KSTGJGGPQYZCOG-RYUDHWBXSA-N 2 0 267.373 -0.129 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)CC[C@H]1[NH3+] ZINC001346047411 890203867 /nfs/dbraw/zinc/20/38/67/890203867.db2.gz FFVALDYNKARQOB-UTUOFQBUSA-N 2 0 267.373 -0.049 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001346056535 890204947 /nfs/dbraw/zinc/20/49/47/890204947.db2.gz AHQWPQGTCCDWKM-AAEUAGOBSA-N 2 0 255.362 -0.312 20 0 CBADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)COCC[NH3+] ZINC001346104857 890214038 /nfs/dbraw/zinc/21/40/38/890214038.db2.gz KROOUOVNLGJKJC-UHFFFAOYSA-N 2 0 294.355 -0.239 20 0 CBADRP CC(C)C[NH2+]CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001346102898 890215401 /nfs/dbraw/zinc/21/54/01/890215401.db2.gz CUUQGUDUXVEPSY-ZDUSSCGKSA-N 2 0 298.431 -0.064 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCNc2ncccn2)CC1 ZINC001346122625 890222500 /nfs/dbraw/zinc/22/25/00/890222500.db2.gz KWQLODYMDALHRL-CYBMUJFWSA-N 2 0 294.403 -0.914 20 0 CBADRP Cc1cn(C(C)(C)C(=O)NC[C@H](CO)[NH2+]CCF)cn1 ZINC001448858727 913428574 /nfs/dbraw/zinc/42/85/74/913428574.db2.gz DRSRMXDXWJCXTH-LLVKDONJSA-N 2 0 286.351 -0.037 20 0 CBADRP C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001346228503 890242758 /nfs/dbraw/zinc/24/27/58/890242758.db2.gz KCGQSCPQNMIFFW-DRZSPHRISA-N 2 0 268.405 -0.136 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC001346319005 890268284 /nfs/dbraw/zinc/26/82/84/890268284.db2.gz JXSWAWAMUYVDKX-BDAKNGLRSA-N 2 0 264.320 -0.621 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3CCO[C@H]3C[NH3+])[C@@H]2C1 ZINC001346386014 890279643 /nfs/dbraw/zinc/27/96/43/890279643.db2.gz YXXKEWVMSBNVFB-QWQWKMKNSA-N 2 0 267.373 -0.193 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCNCC[NH2+]CC1 ZINC001346390605 890280096 /nfs/dbraw/zinc/28/00/96/890280096.db2.gz JAMFWZUULZJSQR-TZMCWYRMSA-N 2 0 295.431 -0.327 20 0 CBADRP C[C@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC001346464836 890299403 /nfs/dbraw/zinc/29/94/03/890299403.db2.gz XZFDHDHGEUREJO-KBPBESRZSA-N 2 0 297.447 -0.092 20 0 CBADRP COCC[NH2+]CCNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001346478892 890300508 /nfs/dbraw/zinc/30/05/08/890300508.db2.gz OIMGVZMNAYDDIL-GXTWGEPZSA-N 2 0 284.404 -0.185 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001346526817 890315200 /nfs/dbraw/zinc/31/52/00/890315200.db2.gz QHVGKHIFKAGOPU-JOCQHMNTSA-N 2 0 283.420 -0.292 20 0 CBADRP CC[C@H](C(=O)N(C)CCNC(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001448874732 913438278 /nfs/dbraw/zinc/43/82/78/913438278.db2.gz OCJXOCKIALBVKY-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001346538295 890318995 /nfs/dbraw/zinc/31/89/95/890318995.db2.gz OINLYSFJMYIZNH-ZIAGYGMSSA-N 2 0 297.447 -0.031 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N2CCC[NH2+]CC2)CC1 ZINC001346569182 890325448 /nfs/dbraw/zinc/32/54/48/890325448.db2.gz FLCPLXHXEPQMSE-UHFFFAOYSA-N 2 0 269.393 -0.586 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCCO1 ZINC001346687513 890342396 /nfs/dbraw/zinc/34/23/96/890342396.db2.gz ZJHPRUXELNOCHT-IRCOFANPSA-N 2 0 268.361 -0.362 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCCOC1 ZINC001448889581 913442551 /nfs/dbraw/zinc/44/25/51/913442551.db2.gz NVFATSJTDJNTHL-STQMWFEESA-N 2 0 287.404 -0.569 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H](C)C[NH3+])CC1 ZINC001347061506 890397502 /nfs/dbraw/zinc/39/75/02/890397502.db2.gz OZPSFQILAWKDSI-NSHDSACASA-N 2 0 299.419 -0.377 20 0 CBADRP CN(C(=O)c1cn(CC[NH3+])nn1)C1(C[NH3+])CCC1 ZINC001347062203 890397797 /nfs/dbraw/zinc/39/77/97/890397797.db2.gz YXLIIOKRDVPLKS-UHFFFAOYSA-N 2 0 252.322 -0.810 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)nn1 ZINC001347148420 890414542 /nfs/dbraw/zinc/41/45/42/890414542.db2.gz MHCGEOIJFCCCAB-DTWKUNHWSA-N 2 0 252.322 -0.906 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H](C)[NH2+]C)CC1 ZINC001347157718 890417714 /nfs/dbraw/zinc/41/77/14/890417714.db2.gz RCDAKPOZPYVMJU-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)nn1 ZINC001347157484 890418883 /nfs/dbraw/zinc/41/88/83/890418883.db2.gz MPHBEUCJIQRJOM-RKDXNWHRSA-N 2 0 252.322 -0.764 20 0 CBADRP C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001448912104 913455719 /nfs/dbraw/zinc/45/57/19/913455719.db2.gz TZEWNTMGAXXBFH-NEPJUHHUSA-N 2 0 289.420 -0.588 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC001347603822 890486683 /nfs/dbraw/zinc/48/66/83/890486683.db2.gz RZHTWIXLLQQNJG-UPJWGTAASA-N 2 0 266.389 -0.415 20 0 CBADRP C[C@H](C(=O)N1CC[C@](O)(C[NH+](C)C)C1)n1ccnc1 ZINC001347930553 890536545 /nfs/dbraw/zinc/53/65/45/890536545.db2.gz GXCRTSVAXSIDKE-YPMHNXCESA-N 2 0 266.345 -0.031 20 0 CBADRP C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001348082907 890556039 /nfs/dbraw/zinc/55/60/39/890556039.db2.gz NMMUPNBUMOPOIR-CYBMUJFWSA-N 2 0 298.431 -0.193 20 0 CBADRP C[C@H](F)CC[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001448949195 913468474 /nfs/dbraw/zinc/46/84/74/913468474.db2.gz DTPORZDNUMILSX-RYUDHWBXSA-N 2 0 275.368 -0.103 20 0 CBADRP O=C(NC[C@H](CO)[NH2+]C/C=C/Cl)C12CC[NH+](CC1)C2 ZINC001448951961 913471582 /nfs/dbraw/zinc/47/15/82/913471582.db2.gz WVBUPACIGJBHEH-CLUFZFBRSA-N 2 0 287.791 -0.099 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1ccnn1C ZINC001448958809 913471652 /nfs/dbraw/zinc/47/16/52/913471652.db2.gz ZRXHUGNGEOWSOG-GFCCVEGCSA-N 2 0 297.403 -0.673 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC001348575374 890652660 /nfs/dbraw/zinc/65/26/60/890652660.db2.gz XOZYZAJELLCYAS-UPJWGTAASA-N 2 0 296.415 -0.075 20 0 CBADRP CN(CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)CC[NH+](C)C ZINC001449007103 913483993 /nfs/dbraw/zinc/48/39/93/913483993.db2.gz SBUMPJONOMXBCZ-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@]1(C[NH3+])CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC001349214435 890776266 /nfs/dbraw/zinc/77/62/66/890776266.db2.gz FYKYNRNAZJQFML-ZDUSSCGKSA-N 2 0 263.345 -0.134 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001349274265 890786448 /nfs/dbraw/zinc/78/64/48/890786448.db2.gz WGLWHBYYNKRSCQ-GXSJLCMTSA-N 2 0 266.349 -0.505 20 0 CBADRP C/C(=C/C(=O)NC[C@@H]1CC[N@H+]1C)C(=O)NC[C@H]1CC[NH+]1C ZINC001349300609 890789487 /nfs/dbraw/zinc/78/94/87/890789487.db2.gz SFUHHJILIQHDMH-ZBNJQPBLSA-N 2 0 294.399 -0.427 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001349317466 890792747 /nfs/dbraw/zinc/79/27/47/890792747.db2.gz CEDBIKIVEOKYIF-ZJUUUORDSA-N 2 0 266.345 -0.747 20 0 CBADRP C[C@@H](CCO)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001349326247 890795866 /nfs/dbraw/zinc/79/58/66/890795866.db2.gz VHCAQSRRTRFEGW-ZIAGYGMSSA-N 2 0 273.421 -0.407 20 0 CBADRP NC(=O)Cn1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)nn1 ZINC001349325873 890798168 /nfs/dbraw/zinc/79/81/68/890798168.db2.gz RYUGREUZFPKVOO-SNVBAGLBSA-N 2 0 266.349 -0.676 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC001349374204 890803674 /nfs/dbraw/zinc/80/36/74/890803674.db2.gz UXNBXOAARDOFML-ZJUUUORDSA-N 2 0 264.333 -0.624 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001349398103 890804863 /nfs/dbraw/zinc/80/48/63/890804863.db2.gz FCIUFRNSKNJDQE-YPMHNXCESA-N 2 0 296.371 -0.634 20 0 CBADRP CC(C)([NH3+])c1noc(CN2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC001349389822 890806921 /nfs/dbraw/zinc/80/69/21/890806921.db2.gz PBBJTIDNZGLFKY-DTORHVGOSA-N 2 0 251.334 -0.085 20 0 CBADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCOC2(C[NH2+]C2)C1 ZINC001349608108 890848431 /nfs/dbraw/zinc/84/84/31/890848431.db2.gz IAFMXMKCBAKJHM-MVZIDQBPSA-N 2 0 265.357 -0.257 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](N)CC[NH+](C)C)C1 ZINC001349657187 890860178 /nfs/dbraw/zinc/86/01/78/890860178.db2.gz ZRRZMOPEBSAOOC-VXGBXAGGSA-N 2 0 256.394 -0.277 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC001349657183 890860573 /nfs/dbraw/zinc/86/05/73/890860573.db2.gz ZRRZMOPEBSAOOC-NEPJUHHUSA-N 2 0 256.394 -0.277 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NCC1([NH+](C)C)CCOCC1 ZINC001349816654 890897749 /nfs/dbraw/zinc/89/77/49/890897749.db2.gz QKLWYIWLENQAEQ-JTQLQIEISA-N 2 0 259.350 -0.813 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC001349981764 890917239 /nfs/dbraw/zinc/91/72/39/890917239.db2.gz FPWXJYVCOAHVRB-RYUDHWBXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC001349996098 890921535 /nfs/dbraw/zinc/92/15/35/890921535.db2.gz VJWBEZWKJGIDTD-WISYIIOYSA-N 2 0 282.388 -0.561 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001349995931 890921881 /nfs/dbraw/zinc/92/18/81/890921881.db2.gz SWBBGUXOMCGEQL-CYDGBPFRSA-N 2 0 294.399 -0.452 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001349995933 890921942 /nfs/dbraw/zinc/92/19/42/890921942.db2.gz SWBBGUXOMCGEQL-WUHRBBMRSA-N 2 0 294.399 -0.452 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001350029386 890923890 /nfs/dbraw/zinc/92/38/90/890923890.db2.gz RNXMQMIDIJTTJQ-SDDRHHMPSA-N 2 0 294.399 -0.560 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001350215250 890950007 /nfs/dbraw/zinc/95/00/07/890950007.db2.gz RTMDXTNCYALASU-RNWYCLNJSA-N 2 0 250.346 -0.260 20 0 CBADRP Cn1cc([C@@H]2CN(C[C@]34C[C@H]3C[NH2+]C4)C[C@H]2[NH3+])cn1 ZINC001350439756 890986157 /nfs/dbraw/zinc/98/61/57/890986157.db2.gz BPZFUWDRNSGLBE-IGQOVBAYSA-N 2 0 261.373 -0.244 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C[C@H]1[NH3+] ZINC001350964435 891079471 /nfs/dbraw/zinc/07/94/71/891079471.db2.gz KRPUJYVNMTWSDP-JHJVBQTASA-N 2 0 294.399 -0.511 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C[C@H]1[NH3+] ZINC001350964426 891081020 /nfs/dbraw/zinc/08/10/20/891081020.db2.gz KRPUJYVNMTWSDP-FRRDWIJNSA-N 2 0 294.399 -0.511 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C[NH2+]1 ZINC001351579880 891159094 /nfs/dbraw/zinc/15/90/94/891159094.db2.gz QHLIPOBZGULIPA-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCOCC[NH+](C)C ZINC001351731722 891177695 /nfs/dbraw/zinc/17/76/95/891177695.db2.gz NKVGFVZBKRXPNO-STQMWFEESA-N 2 0 284.404 -0.931 20 0 CBADRP c1c(C[NH2+]CC2CC2)nnn1C[C@@H]1C[NH2+]CCO1 ZINC001351756904 891180483 /nfs/dbraw/zinc/18/04/83/891180483.db2.gz PXOIZKYJTOEIHY-LBPRGKRZSA-N 2 0 251.334 -0.234 20 0 CBADRP O=C(C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001351984050 891207806 /nfs/dbraw/zinc/20/78/06/891207806.db2.gz UVWBVSXEOXVFAZ-AVGNSLFASA-N 2 0 292.383 -0.744 20 0 CBADRP COC[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001449181657 913532782 /nfs/dbraw/zinc/53/27/82/913532782.db2.gz DNSWUKGJVSATPJ-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP [NH3+][C@H]1CC[C@H](C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC001352056282 891221371 /nfs/dbraw/zinc/22/13/71/891221371.db2.gz WYDMZAAJTMKVDY-SRVKXCTJSA-N 2 0 255.362 -0.001 20 0 CBADRP NC(=O)C1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC001352776465 891293647 /nfs/dbraw/zinc/29/36/47/891293647.db2.gz NGCDKYGRUFQGHB-GXTWGEPZSA-N 2 0 267.373 -0.048 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)c2c(C[NH3+])cnn2C)CC[NH2+]1 ZINC001352839683 891305798 /nfs/dbraw/zinc/30/57/98/891305798.db2.gz QALSUUIZHPZFPI-PSASIEDQSA-N 2 0 251.334 -0.251 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NCC1([NH3+])CCCC1 ZINC001352850052 891309546 /nfs/dbraw/zinc/30/95/46/891309546.db2.gz UUPGEBNFJCOZIU-UHFFFAOYSA-N 2 0 251.334 -0.120 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC001352850799 891309676 /nfs/dbraw/zinc/30/96/76/891309676.db2.gz YDLKHMSCGHIIBB-IUCAKERBSA-N 2 0 251.334 -0.094 20 0 CBADRP C[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH]cn1 ZINC001449203231 913544181 /nfs/dbraw/zinc/54/41/81/913544181.db2.gz XXKRYZAOYRPDLP-DGCLKSJQSA-N 2 0 298.387 -0.526 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2[NH2+]CC23CCOCC3)C1 ZINC001353071357 891354473 /nfs/dbraw/zinc/35/44/73/891354473.db2.gz ITEOZJJOFNUJHO-NWDGAFQWSA-N 2 0 267.373 -0.177 20 0 CBADRP C[NH+]1CCC(CCNC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC001353134980 891363798 /nfs/dbraw/zinc/36/37/98/891363798.db2.gz QSOKBEDJRMGWSB-UHFFFAOYSA-N 2 0 282.388 -0.558 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001353202152 891382700 /nfs/dbraw/zinc/38/27/00/891382700.db2.gz ZVYNYFJWCXRZRB-LOWVWBTDSA-N 2 0 255.362 -0.416 20 0 CBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC001353194131 891382816 /nfs/dbraw/zinc/38/28/16/891382816.db2.gz NGKWTPPNHNNWJI-JHJVBQTASA-N 2 0 296.415 -0.312 20 0 CBADRP C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC001353271547 891391087 /nfs/dbraw/zinc/39/10/87/891391087.db2.gz BSLACEAFJLNBMR-UONOGXRCSA-N 3 0 270.421 -0.864 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC001353285508 891393843 /nfs/dbraw/zinc/39/38/43/891393843.db2.gz NCWUUVVXZSPGMV-AAEUAGOBSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001353287226 891395335 /nfs/dbraw/zinc/39/53/35/891395335.db2.gz XZCGLWSWOIFIRC-DCAQKATOSA-N 2 0 268.361 -0.985 20 0 CBADRP C[C@H](CC[NH2+]C[C@H](O)C1(O)CCOCC1)[NH+](C)C ZINC001353288456 891396917 /nfs/dbraw/zinc/39/69/17/891396917.db2.gz ZXQBQEVDCZPLQG-NEPJUHHUSA-N 2 0 260.378 -0.181 20 0 CBADRP C[NH+]1CCC(C)(C[NH2+]CCC(=O)NC(N)=O)CC1 ZINC001353317632 891403112 /nfs/dbraw/zinc/40/31/12/891403112.db2.gz XZKHRUABVMMODH-UHFFFAOYSA-N 2 0 256.350 -0.107 20 0 CBADRP C[NH+](C)[C@@]1(CNC(=O)C[C@H](O)C[NH3+])CCSC1 ZINC001353483736 891433222 /nfs/dbraw/zinc/43/32/22/891433222.db2.gz ZNNAQMKLTCDBOF-GXSJLCMTSA-N 2 0 261.391 -0.750 20 0 CBADRP CC[NH2+]CCNC(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001353415188 891422645 /nfs/dbraw/zinc/42/26/45/891422645.db2.gz CAGMGMHBJZZJLD-WDMOLILDSA-N 2 0 298.387 -0.482 20 0 CBADRP C[NH2+]CCN(C(=O)NC[C@H]1C[NH2+]CCO1)C(C)C ZINC001353427867 891424849 /nfs/dbraw/zinc/42/48/49/891424849.db2.gz CYTKGFBIVQFQGZ-LLVKDONJSA-N 2 0 258.366 -0.386 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCCN1CCC([NH3+])CC1 ZINC001353455951 891428167 /nfs/dbraw/zinc/42/81/67/891428167.db2.gz IGGSAIYFNRSVIU-ZYHUDNBSSA-N 2 0 269.393 -0.683 20 0 CBADRP [NH3+]CCNCC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC001353468988 891430185 /nfs/dbraw/zinc/43/01/85/891430185.db2.gz KOEUVBNGUCEUDA-UHFFFAOYSA-N 2 0 254.378 -0.379 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)CNCC[NH3+])C[C@H](C)O1 ZINC001353468954 891431041 /nfs/dbraw/zinc/43/10/41/891431041.db2.gz JPGAORUJDBVBQM-TXEJJXNPSA-N 2 0 272.393 -0.850 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC001353481786 891432880 /nfs/dbraw/zinc/43/28/80/891432880.db2.gz HSVLZPRLJYVOEM-OLZOCXBDSA-N 2 0 268.405 -0.262 20 0 CBADRP C[N@H+](CCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O)C1CC1 ZINC001353509127 891436631 /nfs/dbraw/zinc/43/66/31/891436631.db2.gz WPZWBAZREGLWNI-GFCCVEGCSA-N 2 0 282.388 -0.606 20 0 CBADRP CC(C)N(CCN(C)CC(N)=O)C(=O)C[NH+]1CCCC1 ZINC001449282688 913557879 /nfs/dbraw/zinc/55/78/79/913557879.db2.gz ZKOVMRYEINPJAI-UHFFFAOYSA-N 2 0 284.404 -0.264 20 0 CBADRP [NH3+]CCN(CCO)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001353512711 891440746 /nfs/dbraw/zinc/44/07/46/891440746.db2.gz FBRFMNMEUIVDPI-LLVKDONJSA-N 2 0 258.366 -0.519 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CCN1C ZINC001353602479 891454003 /nfs/dbraw/zinc/45/40/03/891454003.db2.gz PFMWPNGIJOHGTD-NWDGAFQWSA-N 2 0 254.378 -0.510 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001353655543 891455441 /nfs/dbraw/zinc/45/54/41/891455441.db2.gz QJTVSHGDUORZDL-JHJVBQTASA-N 2 0 269.389 -0.066 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC001353647111 891455742 /nfs/dbraw/zinc/45/57/42/891455742.db2.gz ZTZFVKNEZQFPGC-DGCLKSJQSA-N 2 0 263.341 -0.301 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C[C@@H](O)C[NH2+]1 ZINC001353654400 891456897 /nfs/dbraw/zinc/45/68/97/891456897.db2.gz IGWUUVAKHJBZOZ-HNCHTBHHSA-N 2 0 253.346 -0.690 20 0 CBADRP [NH3+][C@H](Cc1ccccn1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001353666958 891458047 /nfs/dbraw/zinc/45/80/47/891458047.db2.gz RLNJZTQPYVBGMG-RTXFEEFZSA-N 2 0 260.341 -0.228 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001353949523 891490257 /nfs/dbraw/zinc/49/02/57/891490257.db2.gz UOIVFGBALAYRLA-VHSXEESVSA-N 2 0 255.362 -0.125 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001353957801 891490504 /nfs/dbraw/zinc/49/05/04/891490504.db2.gz JRDXZGBVFXFBRQ-KQXIARHKSA-N 2 0 255.362 -0.146 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001353957802 891491513 /nfs/dbraw/zinc/49/15/13/891491513.db2.gz JRDXZGBVFXFBRQ-UZWSLXQKSA-N 2 0 255.362 -0.146 20 0 CBADRP CC(C)([NH3+])CC[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC001353944370 891491548 /nfs/dbraw/zinc/49/15/48/891491548.db2.gz UIMBTQIMNIEJPC-LLVKDONJSA-N 3 0 256.394 -0.099 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001354003918 891497111 /nfs/dbraw/zinc/49/71/11/891497111.db2.gz XGMPENLTQIGNIL-UHFFFAOYSA-N 2 0 268.405 -0.214 20 0 CBADRP C[C@H]([NH3+])CONC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001354073684 891510271 /nfs/dbraw/zinc/51/02/71/891510271.db2.gz KVXRJJYLRVVJFP-JGVFFNPUSA-N 2 0 253.306 -0.505 20 0 CBADRP [NH3+]C1CC[NH+](C[C@@H](O)COC2CCOCC2)CC1 ZINC001354185121 891530682 /nfs/dbraw/zinc/53/06/82/891530682.db2.gz QEFZXZXLRKLXAW-GFCCVEGCSA-N 2 0 258.362 -0.034 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC001354296744 891556144 /nfs/dbraw/zinc/55/61/44/891556144.db2.gz GPHYTCLGROYBNK-NOOOWODRSA-N 2 0 257.378 -0.211 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)c1cc2c(s1)C[NH2+]CC2 ZINC001354330934 891565871 /nfs/dbraw/zinc/56/58/71/891565871.db2.gz SRSBLXZZMONJDQ-DTWKUNHWSA-N 2 0 267.354 -0.544 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001354331230 891566290 /nfs/dbraw/zinc/56/62/90/891566290.db2.gz WLCOTPADKUZRGY-CABZTGNLSA-N 2 0 254.334 -0.391 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001354583028 891596092 /nfs/dbraw/zinc/59/60/92/891596092.db2.gz YSECVXYGUZNEMT-ZPFDUUQYSA-N 2 0 255.362 -0.396 20 0 CBADRP C[C@H]1CN(C(=O)[C@H]([NH3+])CO)CCN1c1cc[nH+]cc1 ZINC001354607777 891598385 /nfs/dbraw/zinc/59/83/85/891598385.db2.gz PUMUUEIKBUNLRN-CMPLNLGQSA-N 2 0 264.329 -0.562 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N[C@H]1[C@H]2CCC[NH2+][C@H]2C1(C)C ZINC001354594599 891599142 /nfs/dbraw/zinc/59/91/42/891599142.db2.gz SKCQBDSVIVBPJB-ZDCRXTMVSA-N 2 0 269.389 -0.023 20 0 CBADRP COC1(C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC[NH2+]CC1 ZINC001354818894 891620517 /nfs/dbraw/zinc/62/05/17/891620517.db2.gz GRHSJZPJJSZBPW-JTQLQIEISA-N 2 0 255.362 -0.049 20 0 CBADRP CN(C(=O)CC[NH+](C)C)C1CC([NH2+][C@H]2CCCNC2=O)C1 ZINC001449388540 913577805 /nfs/dbraw/zinc/57/78/05/913577805.db2.gz YIUQCPPMYSTPKX-BPCQOVAHSA-N 2 0 296.415 -0.204 20 0 CBADRP CCC(CC)(C[NH3+])C(=O)N1CCNCC[NH2+]CC1 ZINC001355016666 891636792 /nfs/dbraw/zinc/63/67/92/891636792.db2.gz SZYPJPFPJJYDIE-UHFFFAOYSA-N 2 0 256.394 -0.227 20 0 CBADRP C[NH2+][C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)c1cnn(C)c1 ZINC001355086720 891644294 /nfs/dbraw/zinc/64/42/94/891644294.db2.gz SNOKBYIPBCEIOY-FOGDFJRCSA-N 2 0 265.361 -0.266 20 0 CBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001355086577 891644893 /nfs/dbraw/zinc/64/48/93/891644893.db2.gz OEZDQZYDNIRURO-WHOHXGKFSA-N 2 0 253.346 -0.582 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001355475511 891681255 /nfs/dbraw/zinc/68/12/55/891681255.db2.gz JSQOOIXSFIUPOJ-SNVBAGLBSA-N 2 0 257.378 -0.067 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001355488580 891683796 /nfs/dbraw/zinc/68/37/96/891683796.db2.gz OWYBQXYWXLAAJY-ZTVLKNOQSA-N 2 0 253.346 -0.238 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC001355559438 891689440 /nfs/dbraw/zinc/68/94/40/891689440.db2.gz PJCSGXBWYYAKDE-BZPMIXESSA-N 2 0 267.373 -0.177 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)[C@@H]2C1 ZINC001356402661 891753927 /nfs/dbraw/zinc/75/39/27/891753927.db2.gz SVPNAZHGEWDLGR-LNFKQOIKSA-N 2 0 255.362 -0.459 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)[C@H]2C1 ZINC001356402662 891754996 /nfs/dbraw/zinc/75/49/96/891754996.db2.gz SVPNAZHGEWDLGR-UKKRHICBSA-N 2 0 255.362 -0.459 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)[C@@H]3OCC[C@@H]3[NH3+])[C@H]2C1 ZINC001356414312 891756082 /nfs/dbraw/zinc/75/60/82/891756082.db2.gz XMYLEUZOHUASNY-KKJSVHSVSA-N 2 0 253.346 -0.441 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001356438505 891759299 /nfs/dbraw/zinc/75/92/99/891759299.db2.gz PPDPVMREUWOLFL-FDYHWXHSSA-N 2 0 294.399 -0.417 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1CCC[NH2+]CC1 ZINC001356454626 891762918 /nfs/dbraw/zinc/76/29/18/891762918.db2.gz TYUBKQWTMWCXMP-VXGBXAGGSA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)Cc2csc(C[NH3+])n2)C1 ZINC001356498427 891770484 /nfs/dbraw/zinc/77/04/84/891770484.db2.gz FLTYWEHQPXIYQO-QMMMGPOBSA-N 2 0 254.359 -0.035 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001356498747 891773590 /nfs/dbraw/zinc/77/35/90/891773590.db2.gz HNEVTWLHQZJVJJ-QWRGUYRKSA-N 2 0 270.377 -0.845 20 0 CBADRP CCOCC[C@@H](O)C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC001356582836 891779794 /nfs/dbraw/zinc/77/97/94/891779794.db2.gz GYYZXWZVMGFUNO-ZIAGYGMSSA-N 2 0 273.421 -0.001 20 0 CBADRP CC[N@H+](CCNC(=O)N1CCNCC[NH2+]CC1)C(C)C ZINC001356609056 891782549 /nfs/dbraw/zinc/78/25/49/891782549.db2.gz BIGQFPVBMSSEFS-UHFFFAOYSA-N 2 0 285.436 -0.079 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2ccon2)CC1 ZINC001356598024 891782902 /nfs/dbraw/zinc/78/29/02/891782902.db2.gz XHUPHBZFIJGBOZ-ZDUSSCGKSA-N 2 0 268.361 -0.585 20 0 CBADRP Cc1nnc(CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)n1C ZINC001357168034 891855876 /nfs/dbraw/zinc/85/58/76/891855876.db2.gz ZAJXHLSSDMPERR-GFCCVEGCSA-N 2 0 267.377 -0.288 20 0 CBADRP [NH3+]CC1(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC(O)C1 ZINC001357361036 891870650 /nfs/dbraw/zinc/87/06/50/891870650.db2.gz BJSBYRASTFIWSG-PWQPVHBWSA-N 2 0 267.373 -0.313 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001357346146 891873205 /nfs/dbraw/zinc/87/32/05/891873205.db2.gz HNGWZCDQQLNUGI-GWCFXTLKSA-N 2 0 269.389 -0.054 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001357362307 891874202 /nfs/dbraw/zinc/87/42/02/891874202.db2.gz QBYRENAOOBLAKN-RNJOBUHISA-N 2 0 269.389 -0.054 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001357362308 891876016 /nfs/dbraw/zinc/87/60/16/891876016.db2.gz QBYRENAOOBLAKN-RVMXOQNASA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)[C@H]([NH3+])CO ZINC001357375763 891879545 /nfs/dbraw/zinc/87/95/45/891879545.db2.gz KOSBBUIQAZMRDV-DDHJBXDOSA-N 2 0 257.378 -0.211 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001357374483 891879619 /nfs/dbraw/zinc/87/96/19/891879619.db2.gz CJBSUMDNEIRVEX-MBNYWOFBSA-N 2 0 269.389 -0.054 20 0 CBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)CNCC[NH3+])C[C@@H]1C ZINC001357414087 891888851 /nfs/dbraw/zinc/88/88/51/891888851.db2.gz LLAJFHHCKKFGSO-NWDGAFQWSA-N 2 0 256.394 -0.134 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CNCC[NH3+])C[C@H]1C ZINC001357414084 891890117 /nfs/dbraw/zinc/89/01/17/891890117.db2.gz LLAJFHHCKKFGSO-NEPJUHHUSA-N 2 0 256.394 -0.134 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CNCC[NH3+])C[C@@H]1C ZINC001357414089 891891526 /nfs/dbraw/zinc/89/15/26/891891526.db2.gz LLAJFHHCKKFGSO-RYUDHWBXSA-N 2 0 256.394 -0.134 20 0 CBADRP C[NH2+]CCC1CCN(C(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001357443849 891892540 /nfs/dbraw/zinc/89/25/40/891892540.db2.gz DGOWEQFLOQVVMO-UHFFFAOYSA-N 2 0 269.389 -0.066 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001357462266 891896308 /nfs/dbraw/zinc/89/63/08/891896308.db2.gz DGXDRDGFCFEZPH-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001357464789 891897480 /nfs/dbraw/zinc/89/74/80/891897480.db2.gz XEDJZVYHYDFCTO-JTQLQIEISA-N 2 0 258.366 -0.127 20 0 CBADRP CN(C(=O)[C@H]1CCCN(CC[NH3+])C1=O)C1(C[NH3+])CCC1 ZINC001357473355 891901520 /nfs/dbraw/zinc/90/15/20/891901520.db2.gz FALFSIJJXSMUAU-LLVKDONJSA-N 2 0 282.388 -0.477 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001357486873 891904329 /nfs/dbraw/zinc/90/43/29/891904329.db2.gz OIKABPIUIBOGSB-SMDDNHRTSA-N 2 0 269.389 -0.005 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001357482457 891904603 /nfs/dbraw/zinc/90/46/03/891904603.db2.gz FGANHZDYEOEILO-RNWYCLNJSA-N 2 0 250.346 -0.545 20 0 CBADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001357474777 891905212 /nfs/dbraw/zinc/90/52/12/891905212.db2.gz QSOQPCUSWHLXGQ-ZJUUUORDSA-N 2 0 268.361 -0.950 20 0 CBADRP O=C(NCCCCCN1CC[NH2+]CC1)N[C@H]1CC[NH2+]C1 ZINC001357514981 891906215 /nfs/dbraw/zinc/90/62/15/891906215.db2.gz KYZHLFYBQYIKLD-ZDUSSCGKSA-N 2 0 283.420 -0.277 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCN1CCC([NH3+])CC1 ZINC001357583508 891916026 /nfs/dbraw/zinc/91/60/26/891916026.db2.gz VIQPNYZQIMBPBJ-PWSUYJOCSA-N 2 0 269.393 -0.459 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC001357613693 891919450 /nfs/dbraw/zinc/91/94/50/891919450.db2.gz YVUBOCNHFSZJNM-UTUOFQBUSA-N 2 0 255.362 -0.313 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC001357810761 891937895 /nfs/dbraw/zinc/93/78/95/891937895.db2.gz MKHJWBKNFDVBRS-IVZWLZJFSA-N 2 0 257.334 -0.395 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC001357810768 891938178 /nfs/dbraw/zinc/93/81/78/891938178.db2.gz MKHJWBKNFDVBRS-KXUCPTDWSA-N 2 0 257.334 -0.395 20 0 CBADRP [NH3+][C@@H](C(=O)N[C@H]1COC2(C[NH2+]C2)C1)c1ccccc1 ZINC001357843233 891939307 /nfs/dbraw/zinc/93/93/07/891939307.db2.gz IXWRLLCDYKFROV-VXGBXAGGSA-N 2 0 261.325 -0.067 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001357923261 891946860 /nfs/dbraw/zinc/94/68/60/891946860.db2.gz NCVIMGOARCNMAC-UHFFFAOYSA-N 2 0 287.404 -0.208 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001357946542 891951454 /nfs/dbraw/zinc/95/14/54/891951454.db2.gz ZBDZURKDYJJBHJ-RYUDHWBXSA-N 2 0 257.378 -0.067 20 0 CBADRP C[NH+]1CCC(n2cc(NC(=O)CNCC[NH3+])cn2)CC1 ZINC001357980418 891953183 /nfs/dbraw/zinc/95/31/83/891953183.db2.gz XALXTOXATOVAFY-UHFFFAOYSA-N 2 0 280.376 -0.363 20 0 CBADRP O=C(N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001357969968 891955152 /nfs/dbraw/zinc/95/51/52/891955152.db2.gz QYDOVBWLTDCAQE-NMKXLXIOSA-N 2 0 265.357 -0.425 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH2+]C[C@@H]1CO ZINC001358026575 891956913 /nfs/dbraw/zinc/95/69/13/891956913.db2.gz HINGRGMWEXUAHQ-GRYCIOLGSA-N 2 0 255.362 -0.348 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC001358070110 891966222 /nfs/dbraw/zinc/96/62/22/891966222.db2.gz GLIWXODQBOWIIP-VDDIYKPWSA-N 2 0 263.345 -0.176 20 0 CBADRP CC[NH2+]CC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001358079399 891968359 /nfs/dbraw/zinc/96/83/59/891968359.db2.gz GWPPDMPPCMRGEX-NSHDSACASA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001358095095 891972544 /nfs/dbraw/zinc/97/25/44/891972544.db2.gz YCSVBLUTPBGIEN-KKOKHZNYSA-N 2 0 257.378 -0.354 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001358119099 891976249 /nfs/dbraw/zinc/97/62/49/891976249.db2.gz KJXFNGFHSUAOIN-PRJMDXOYSA-N 2 0 269.267 -0.566 20 0 CBADRP O=C([C@H]1CC[NH2+]1)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001358178046 891979447 /nfs/dbraw/zinc/97/94/47/891979447.db2.gz VQZXOAMQBRCBLZ-ZWNOBZJWSA-N 2 0 261.329 -0.655 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC001358396690 891999632 /nfs/dbraw/zinc/99/96/32/891999632.db2.gz PGEFRNRAONXYKS-ZJQBRPOHSA-N 2 0 269.389 -0.067 20 0 CBADRP C[C@@H](CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001361832222 892268304 /nfs/dbraw/zinc/26/83/04/892268304.db2.gz HGSFJNWDIIZMIM-QWHCGFSZSA-N 2 0 270.421 -0.064 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001362282778 892566503 /nfs/dbraw/zinc/56/65/03/892566503.db2.gz GIXZZAGOTUGLCY-STQMWFEESA-N 2 0 286.395 -0.218 20 0 CBADRP CCN1CC[C@@H]1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC001450605701 913720210 /nfs/dbraw/zinc/72/02/10/913720210.db2.gz RDCDDJCLRZBVNC-VXGBXAGGSA-N 2 0 255.362 -0.347 20 0 CBADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)C1 ZINC001362971180 893217942 /nfs/dbraw/zinc/21/79/42/893217942.db2.gz PRAMWKQKQLKQHY-IHRRRGAJSA-N 2 0 280.416 -0.025 20 0 CBADRP O[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)CC1(O)CCOCC1 ZINC001363200372 893450699 /nfs/dbraw/zinc/45/06/99/893450699.db2.gz PZVTYCQWDHCNQQ-UPJWGTAASA-N 2 0 270.373 -0.570 20 0 CBADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001363212416 893461079 /nfs/dbraw/zinc/46/10/79/893461079.db2.gz QFIAZCDUJYERKQ-IJLUTSLNSA-N 2 0 278.356 -0.294 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)C1 ZINC001363371797 893621233 /nfs/dbraw/zinc/62/12/33/893621233.db2.gz QXHCNQHDPZUZJV-MELADBBJSA-N 2 0 281.400 -0.004 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C[NH+](C)C ZINC001363570725 893808400 /nfs/dbraw/zinc/80/84/00/893808400.db2.gz UYNNYZVEMDAOKA-UPJWGTAASA-N 2 0 296.415 -0.537 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1C[C@H]2CC[NH+](C)[C@H]2C1 ZINC001364207322 894253453 /nfs/dbraw/zinc/25/34/53/894253453.db2.gz BCMMRRMSRZOMQH-MCIONIFRSA-N 2 0 295.431 -0.422 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)C(C)(C)O)CC2)C1 ZINC001364361398 894361276 /nfs/dbraw/zinc/36/12/76/894361276.db2.gz ZKSMWKYWJSJCBF-UONOGXRCSA-N 2 0 285.432 -0.170 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)C(C)(C)O)CC2)C1 ZINC001364361393 894361448 /nfs/dbraw/zinc/36/14/48/894361448.db2.gz ZKSMWKYWJSJCBF-KBPBESRZSA-N 2 0 285.432 -0.170 20 0 CBADRP C[C@@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)C[C@H](C)[NH+]1CCO ZINC001364426715 894411749 /nfs/dbraw/zinc/41/17/49/894411749.db2.gz RIRAASZIXVWEPK-GUTXKFCHSA-N 2 0 285.432 -0.172 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001365121650 894769942 /nfs/dbraw/zinc/76/99/42/894769942.db2.gz LXMIMFNODUEYAH-NFAWXSAZSA-N 2 0 281.400 -0.101 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001365823390 895128958 /nfs/dbraw/zinc/12/89/58/895128958.db2.gz WDAPDYAVGCFWAD-XQQFMLRXSA-N 2 0 298.431 -0.101 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001365940029 895143869 /nfs/dbraw/zinc/14/38/69/895143869.db2.gz NIDGTAOFNNIFRV-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CCCO)C1 ZINC001366001844 895172136 /nfs/dbraw/zinc/17/21/36/895172136.db2.gz GBRAJSANPKDAGH-KBPBESRZSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@H]([NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1)C(N)=O ZINC001366070335 895182038 /nfs/dbraw/zinc/18/20/38/895182038.db2.gz WVUGDCWGZOTIJX-CMPLNLGQSA-N 2 0 294.399 -0.560 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H]([NH2+][C@H]1CCNC1=O)C1CC1 ZINC001366082610 895185169 /nfs/dbraw/zinc/18/51/69/895185169.db2.gz ZOVSHDBGCOETBL-STQMWFEESA-N 2 0 294.399 -0.545 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001366091082 895188306 /nfs/dbraw/zinc/18/83/06/895188306.db2.gz BKIIVPRYCOPMOR-FRRDWIJNSA-N 2 0 296.415 -0.395 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001366096351 895188723 /nfs/dbraw/zinc/18/87/23/895188723.db2.gz BAJHSVWRJJFHMC-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001366097833 895190966 /nfs/dbraw/zinc/19/09/66/895190966.db2.gz JRMFDKJKLXEFRM-QWRGUYRKSA-N 2 0 282.388 -0.608 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001366101248 895191987 /nfs/dbraw/zinc/19/19/87/895191987.db2.gz GQDDRBWVIFPFNT-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001366114051 895196572 /nfs/dbraw/zinc/19/65/72/895196572.db2.gz ACARQWULGIABFD-AVGNSLFASA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001366131892 895200363 /nfs/dbraw/zinc/20/03/63/895200363.db2.gz PHBVZOPNANRRPK-YRGRVCCFSA-N 2 0 296.415 -0.171 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001366131139 895200564 /nfs/dbraw/zinc/20/05/64/895200564.db2.gz MNQVZXYUVSGPFA-XYPYZODXSA-N 2 0 270.377 -0.691 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001366137098 895201988 /nfs/dbraw/zinc/20/19/88/895201988.db2.gz NSCGDHZJLBMEQO-IJLUTSLNSA-N 2 0 284.404 -0.301 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001366168267 895214140 /nfs/dbraw/zinc/21/41/40/895214140.db2.gz ZZESWDAPABHHAL-WUHRBBMRSA-N 2 0 285.388 -0.818 20 0 CBADRP C[NH+](C)CCC(=O)NC1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001366252369 895237399 /nfs/dbraw/zinc/23/73/99/895237399.db2.gz VZIJHCJGNFRAFT-BPCQOVAHSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(=O)N1CCC1 ZINC001366291231 895263614 /nfs/dbraw/zinc/26/36/14/895263614.db2.gz VSQDATUOZNGETD-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)NCc1ncnn1C ZINC001366321501 895274784 /nfs/dbraw/zinc/27/47/84/895274784.db2.gz ZPZWYEDQSYZWTP-NEPJUHHUSA-N 2 0 294.403 -0.106 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(C)C)[NH+](C)C ZINC001366328139 895280533 /nfs/dbraw/zinc/28/05/33/895280533.db2.gz RRNMRSSFAFXJBI-NEPJUHHUSA-N 2 0 286.420 -0.055 20 0 CBADRP CCN(CC)C(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001366358129 895289585 /nfs/dbraw/zinc/28/95/85/895289585.db2.gz NDMVLYQSBKAZDL-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001366382146 895303030 /nfs/dbraw/zinc/30/30/30/895303030.db2.gz MDJCLNHAMYDSSQ-QWHCGFSZSA-N 2 0 299.415 -0.332 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001366400447 895311845 /nfs/dbraw/zinc/31/18/45/895311845.db2.gz JXDUICOXDYCPER-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001366430833 895319262 /nfs/dbraw/zinc/31/92/62/895319262.db2.gz PFLPHXASVNFEGD-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nnnn1C ZINC001366436684 895320768 /nfs/dbraw/zinc/32/07/68/895320768.db2.gz ATIYYJOSZLQVOE-GHMZBOCLSA-N 2 0 295.391 -0.711 20 0 CBADRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N(C)C ZINC001366512775 895338660 /nfs/dbraw/zinc/33/86/60/895338660.db2.gz XFUPESVCHCIXGZ-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CN(CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CC(N)=O ZINC001366535928 895363589 /nfs/dbraw/zinc/36/35/89/895363589.db2.gz IBRMRLUYROWXPM-ZDUSSCGKSA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@H+](CCO)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001366547378 895371597 /nfs/dbraw/zinc/37/15/97/895371597.db2.gz XONMOGAXIWVYBY-UHFFFAOYSA-N 2 0 289.339 -0.079 20 0 CBADRP CC[N@H+](CCNC(=O)CC[NH+](C)C)[C@@H]1CCCNC1=O ZINC001366628982 895412667 /nfs/dbraw/zinc/41/26/67/895412667.db2.gz FREVKXGPKIKRFD-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001366688241 895431959 /nfs/dbraw/zinc/43/19/59/895431959.db2.gz IXFVGSUDUWHVQP-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP CC(C)[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001366779460 895459602 /nfs/dbraw/zinc/45/96/02/895459602.db2.gz XIEOEQBUFGHXKP-CHWSQXEVSA-N 2 0 298.431 -0.149 20 0 CBADRP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001366779042 895461530 /nfs/dbraw/zinc/46/15/30/895461530.db2.gz QRVVWMXKYCZMMJ-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP COC[C@@H](O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001366970625 895513349 /nfs/dbraw/zinc/51/33/49/895513349.db2.gz DOLXYDROGISXKB-QWHCGFSZSA-N 2 0 285.388 -0.864 20 0 CBADRP COCC[NH+]1CC(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001366991225 895516234 /nfs/dbraw/zinc/51/62/34/895516234.db2.gz UQEIXDWVSQIYAQ-ZDUSSCGKSA-N 2 0 299.415 -0.351 20 0 CBADRP COC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001366997154 895521028 /nfs/dbraw/zinc/52/10/28/895521028.db2.gz PKNBBYAWMCXTGV-MELADBBJSA-N 2 0 299.415 -0.379 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001367006015 895524038 /nfs/dbraw/zinc/52/40/38/895524038.db2.gz DVLRSURKGRJMRR-YNEHKIRRSA-N 2 0 285.388 -0.722 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001367015380 895531241 /nfs/dbraw/zinc/53/12/41/895531241.db2.gz BRODZRFFZHFDGE-RDBSUJKOSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001367034402 895543752 /nfs/dbraw/zinc/54/37/52/895543752.db2.gz AAJHKJZVKCYBKU-XQQFMLRXSA-N 2 0 285.388 -0.864 20 0 CBADRP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)NC ZINC001367106311 895565848 /nfs/dbraw/zinc/56/58/48/895565848.db2.gz SGOPRTVOIYDJPI-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(N)=O ZINC001367128809 895571755 /nfs/dbraw/zinc/57/17/55/895571755.db2.gz RTXDFRZHGYOVAW-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP CC[C@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]CCO ZINC001367133455 895573987 /nfs/dbraw/zinc/57/39/87/895573987.db2.gz CNJMQGIBZMMYBB-GFCCVEGCSA-N 2 0 287.404 -0.426 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC2(C[NH2+]CC(N)=O)CCCC2)C1 ZINC001367157894 895577494 /nfs/dbraw/zinc/57/74/94/895577494.db2.gz KYTJAICEOBYEIC-GFCCVEGCSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC2(C[NH2+]CC(N)=O)CCCC2)C1 ZINC001367157895 895578438 /nfs/dbraw/zinc/57/84/38/895578438.db2.gz KYTJAICEOBYEIC-LBPRGKRZSA-N 2 0 296.415 -0.168 20 0 CBADRP CC[C@H](C(=O)N[C@@](C)(C[NH2+]CC(=O)NC)C1CC1)[NH+](C)C ZINC001367194751 895583631 /nfs/dbraw/zinc/58/36/31/895583631.db2.gz HUSFHIZYLOBVOB-DOMZBBRYSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC)[NH+](C)C ZINC001367224344 895585400 /nfs/dbraw/zinc/58/54/00/895585400.db2.gz DZOZHPCRDTYKFO-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001367220831 895586289 /nfs/dbraw/zinc/58/62/89/895586289.db2.gz FYJNDKVDFWARAX-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1nnnn1C ZINC001367231387 895588520 /nfs/dbraw/zinc/58/85/20/895588520.db2.gz DYGZOFVUWRTPPJ-GHMZBOCLSA-N 2 0 295.391 -0.854 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367280548 895602933 /nfs/dbraw/zinc/60/29/33/895602933.db2.gz AIYLUISJXJLLKZ-STQMWFEESA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)C[NH2+]CC(N)=O ZINC001367291574 895604642 /nfs/dbraw/zinc/60/46/42/895604642.db2.gz VNVMEEZQXMDIOP-GFCCVEGCSA-N 2 0 284.404 -0.310 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+][C@H](C)C(N)=O ZINC001367294428 895609972 /nfs/dbraw/zinc/60/99/72/895609972.db2.gz RTXPQCHSWCYVDN-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001367365538 895625870 /nfs/dbraw/zinc/62/58/70/895625870.db2.gz ZCGZBRYYBWZOLH-DGCLKSJQSA-N 2 0 294.403 -0.154 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001367381682 895630095 /nfs/dbraw/zinc/63/00/95/895630095.db2.gz ZSWXTNITCDOSKR-QWRGUYRKSA-N 2 0 272.393 -0.491 20 0 CBADRP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367409489 895631966 /nfs/dbraw/zinc/63/19/66/895631966.db2.gz CCMQPIAPEGAGRP-NWDGAFQWSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367406826 895632162 /nfs/dbraw/zinc/63/21/62/895632162.db2.gz QQLKTVLBASJIMM-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C(C)C)CC[N@@H+]1C ZINC001367464957 895639597 /nfs/dbraw/zinc/63/95/97/895639597.db2.gz MBYFZGZKFVGPNW-RWMBFGLXSA-N 2 0 298.431 -0.068 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367606776 895698009 /nfs/dbraw/zinc/69/80/09/895698009.db2.gz OOIVBSBXIJEOBO-NEPJUHHUSA-N 2 0 287.404 -0.692 20 0 CBADRP COC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001367620874 895707920 /nfs/dbraw/zinc/70/79/20/895707920.db2.gz CHQWWFJVJMRIAE-NWDGAFQWSA-N 2 0 273.377 -0.816 20 0 CBADRP C[C@@H](CC[NH2+][C@H]1CCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001367632340 895717459 /nfs/dbraw/zinc/71/74/59/895717459.db2.gz BERUOJPIYPVDSS-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001367681722 895745170 /nfs/dbraw/zinc/74/51/70/895745170.db2.gz ABBWEILYTCQVNX-NWDGAFQWSA-N 2 0 286.420 -0.116 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001367681860 895746216 /nfs/dbraw/zinc/74/62/16/895746216.db2.gz AZULSTDOUIMRQY-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@H](C(=O)N(CC)CC[NH2+][C@H](C)C(=O)NC)[NH+](C)C ZINC001367699083 895753904 /nfs/dbraw/zinc/75/39/04/895753904.db2.gz XTHYKYDYUGOXCW-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001367737838 895779769 /nfs/dbraw/zinc/77/97/69/895779769.db2.gz MPKLJDOTFSOAAS-AAEUAGOBSA-N 2 0 286.420 -0.197 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001367735477 895782340 /nfs/dbraw/zinc/78/23/40/895782340.db2.gz SUCFSBRGLQEROT-WCQYABFASA-N 2 0 296.415 -0.489 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001367742343 895787889 /nfs/dbraw/zinc/78/78/89/895787889.db2.gz XOQPWLUPQLWNAM-QJPTWQEYSA-N 2 0 284.404 -0.348 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)CCC[NH+]1CCCC1 ZINC001367776959 895801717 /nfs/dbraw/zinc/80/17/17/895801717.db2.gz SWIGWCGZBZFKID-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](C[N@H+](C)[C@H]1CCCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001367827551 895820759 /nfs/dbraw/zinc/82/07/59/895820759.db2.gz AAEHKDFCIMTRAG-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)CC[N@@H+]1C ZINC001367907060 895849757 /nfs/dbraw/zinc/84/97/57/895849757.db2.gz LGSUTZWKPGVJAB-WCFLWFBJSA-N 2 0 296.415 -0.314 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001367897862 895850968 /nfs/dbraw/zinc/85/09/68/895850968.db2.gz SZNLPAMKKVZPCF-OLZOCXBDSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001367919993 895855815 /nfs/dbraw/zinc/85/58/15/895855815.db2.gz KABHMEWYBGOBKF-JSGCOSHPSA-N 2 0 298.431 -0.197 20 0 CBADRP NC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001368000868 895883834 /nfs/dbraw/zinc/88/38/34/895883834.db2.gz AVXZUZUJZANJNW-NSHDSACASA-N 2 0 280.372 -0.948 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1)C(N)=O ZINC001368002829 895887898 /nfs/dbraw/zinc/88/78/98/895887898.db2.gz LNJFIUKREVUNJR-JQWIXIFHSA-N 2 0 294.399 -0.560 20 0 CBADRP C[N@H+](CC(=O)NCC1([NH2+][C@H]2CCNC2=O)CC1)C1CCC1 ZINC001368002255 895888173 /nfs/dbraw/zinc/88/81/73/895888173.db2.gz FVDYWZQPKGWHMP-LBPRGKRZSA-N 2 0 294.399 -0.402 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](CC(N)=O)CC1 ZINC001368206985 895932881 /nfs/dbraw/zinc/93/28/81/895932881.db2.gz KXFFLEMYYAELEG-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP COCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001368266501 895953734 /nfs/dbraw/zinc/95/37/34/895953734.db2.gz NLHKSGSFIBIIGN-DZGCQCFKSA-N 2 0 299.415 -0.330 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@]1(O)CC[NH+](CCCO)C1 ZINC001368277068 895958788 /nfs/dbraw/zinc/95/87/88/895958788.db2.gz ISGSOSZOEGVMNP-CQSZACIVSA-N 2 0 287.404 -0.736 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CC(N)=O)CCC2)C1 ZINC001368486490 896017915 /nfs/dbraw/zinc/01/79/15/896017915.db2.gz MRAUJDFUBSFGDA-LLVKDONJSA-N 2 0 282.388 -0.558 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CC(N)=O)CCC2)C1 ZINC001368486492 896020300 /nfs/dbraw/zinc/02/03/00/896020300.db2.gz MRAUJDFUBSFGDA-NSHDSACASA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1([NH2+]CCO)CCC1 ZINC001368494831 896021771 /nfs/dbraw/zinc/02/17/71/896021771.db2.gz GYWJNYPSQSHNMQ-CYBMUJFWSA-N 2 0 299.415 -0.425 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCC1 ZINC001368496310 896023213 /nfs/dbraw/zinc/02/32/13/896023213.db2.gz IQRSXJLTYSCDIV-UHFFFAOYSA-N 2 0 284.404 -0.299 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001368497133 896023850 /nfs/dbraw/zinc/02/38/50/896023850.db2.gz UTGDQVLWPINNIH-TXEJJXNPSA-N 2 0 284.404 -0.441 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001368574291 896037682 /nfs/dbraw/zinc/03/76/82/896037682.db2.gz PFWQGUXEDXUFRW-CYDGBPFRSA-N 2 0 298.431 -0.069 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001368568395 896039380 /nfs/dbraw/zinc/03/93/80/896039380.db2.gz WIQRQAHEHSAYNH-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001368609298 896045399 /nfs/dbraw/zinc/04/53/99/896045399.db2.gz RCCDOZNCXDJAAF-JHJVBQTASA-N 2 0 296.415 -0.489 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001368631536 896050911 /nfs/dbraw/zinc/05/09/11/896050911.db2.gz NXOGVTFIKWKMSB-AWEZNQCLSA-N 2 0 287.404 -0.736 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NCC)C1 ZINC001368663834 896055906 /nfs/dbraw/zinc/05/59/06/896055906.db2.gz FLKGJCMWBGHELY-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001368730380 896071087 /nfs/dbraw/zinc/07/10/87/896071087.db2.gz RCJILWMVOFKRNX-SDDRHHMPSA-N 2 0 284.404 -0.301 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001368780904 896079597 /nfs/dbraw/zinc/07/95/97/896079597.db2.gz HAWYNZMVIPFHQI-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CCO)[C@@H]1C ZINC001368796846 896082829 /nfs/dbraw/zinc/08/28/29/896082829.db2.gz JCFASOGHRWEPHX-MJBXVCDLSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC2CC(C[NH2+]CC(N)=O)C2)C1 ZINC001368817903 896090143 /nfs/dbraw/zinc/09/01/43/896090143.db2.gz HEMJKXZXLXIWNV-VOMCLLRMSA-N 2 0 282.388 -0.702 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CC1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001368825215 896090726 /nfs/dbraw/zinc/09/07/26/896090726.db2.gz KVSIGGJBEHOAAX-PNESKVBLSA-N 2 0 298.431 -0.055 20 0 CBADRP CNC(=O)C[NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001368824393 896092547 /nfs/dbraw/zinc/09/25/47/896092547.db2.gz WVWFSJAHAUHZDS-UHFFFAOYSA-N 2 0 296.415 -0.441 20 0 CBADRP CNC(=O)C[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001368822801 896094281 /nfs/dbraw/zinc/09/42/81/896094281.db2.gz GVULMSMDXZYZKF-UHFFFAOYSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CCS(C)(=O)=O ZINC001368869938 896100084 /nfs/dbraw/zinc/10/00/84/896100084.db2.gz QLGGGEJQNPTAFA-WDEREUQCSA-N 2 0 293.433 -0.535 20 0 CBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)[C@H]1CCNC1=O ZINC001368971121 896124115 /nfs/dbraw/zinc/12/41/15/896124115.db2.gz CQMPEZUXUWYVNH-YPMHNXCESA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC001369173984 896165269 /nfs/dbraw/zinc/16/52/69/896165269.db2.gz PXGAIGQOWBSFDO-KKOKHZNYSA-N 2 0 284.404 -0.315 20 0 CBADRP CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cncn1C)[NH+](C)C ZINC001369376753 896248985 /nfs/dbraw/zinc/24/89/85/896248985.db2.gz DUEKUNKXTUNGOI-DGCLKSJQSA-N 2 0 297.403 -0.673 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001369423880 896264030 /nfs/dbraw/zinc/26/40/30/896264030.db2.gz PZOICVRTFQLZFM-WCQYABFASA-N 2 0 296.415 -0.312 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001369413255 896264948 /nfs/dbraw/zinc/26/49/48/896264948.db2.gz AEEHZSJGXRAJOH-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H](C(=O)N1C[C@H]([NH2+]CC(=O)NC)C(C)(C)C1)[NH+](C)C ZINC001369444913 896268817 /nfs/dbraw/zinc/26/88/17/896268817.db2.gz SPGQOGQEJRHZPU-RYUDHWBXSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001369515420 896306897 /nfs/dbraw/zinc/30/68/97/896306897.db2.gz NUZONPIMRJEXKP-STQMWFEESA-N 2 0 287.404 -0.786 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001369553767 896317297 /nfs/dbraw/zinc/31/72/97/896317297.db2.gz LZGDQTSUOMPMHH-NSHDSACASA-N 2 0 286.420 -0.066 20 0 CBADRP COCC[N@H+](CCO)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001369550216 896319832 /nfs/dbraw/zinc/31/98/32/896319832.db2.gz IFVVWKVZPFIXIT-CQSZACIVSA-N 2 0 299.415 -0.615 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](C[C@@H](O)COC)C1)[NH+](C)C ZINC001370016690 896385526 /nfs/dbraw/zinc/38/55/26/896385526.db2.gz MJIMVNLMANILIU-XQQFMLRXSA-N 2 0 287.404 -0.476 20 0 CBADRP C[C@H]([NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1)C(N)=O ZINC001370212641 896410428 /nfs/dbraw/zinc/41/04/28/896410428.db2.gz JVQGJYZLOYUMFE-GXFFZTMASA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001370230155 896413781 /nfs/dbraw/zinc/41/37/81/896413781.db2.gz VBIZRZXYQYGGKK-JQWIXIFHSA-N 2 0 282.388 -0.702 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001370390398 896422070 /nfs/dbraw/zinc/42/20/70/896422070.db2.gz MNJYNCGXYIIQPW-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001370661687 896468280 /nfs/dbraw/zinc/46/82/80/896468280.db2.gz CJKWGHLUTNGSEX-TUAOUCFPSA-N 2 0 294.399 -0.547 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001370676722 896475456 /nfs/dbraw/zinc/47/54/56/896475456.db2.gz JQIFXXMFYXUROK-XQHKEYJVSA-N 2 0 296.415 -0.301 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC)C1)[NH+](C)C ZINC001370709800 896484125 /nfs/dbraw/zinc/48/41/25/896484125.db2.gz DSOKNHAILLANRG-WYUUTHIRSA-N 2 0 284.404 -0.302 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H]1C[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001370712579 896486654 /nfs/dbraw/zinc/48/66/54/896486654.db2.gz COKRSGOSKGPGSR-RFQIPJPRSA-N 2 0 299.415 -0.428 20 0 CBADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(=O)NC1CC1 ZINC001371214940 896577505 /nfs/dbraw/zinc/57/75/05/896577505.db2.gz WLIPLDFKDBIKGY-LLVKDONJSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(=O)NC1CC1 ZINC001371202821 896578837 /nfs/dbraw/zinc/57/88/37/896578837.db2.gz OHHRSFYZZWQUGN-LLVKDONJSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CCN1CCCC1=O ZINC001371351876 896599462 /nfs/dbraw/zinc/59/94/62/896599462.db2.gz RXJRPWHYSDIIDH-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N(C)C1CC1 ZINC001371464504 896617137 /nfs/dbraw/zinc/61/71/37/896617137.db2.gz BAEXQORWYMFYOE-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCCN(C)C1=O ZINC001371476201 896618895 /nfs/dbraw/zinc/61/88/95/896618895.db2.gz VMSHWARBTDLACX-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001371471188 896618952 /nfs/dbraw/zinc/61/89/52/896618952.db2.gz JSSOGWVYPABLLK-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ncnn1C ZINC001371824932 896666475 /nfs/dbraw/zinc/66/64/75/896666475.db2.gz HLAQFJPSXDVNGH-NSHDSACASA-N 2 0 282.392 -0.249 20 0 CBADRP CC[C@@H](C(=O)NCC[N@H+](C)CCn1cncn1)[NH+](C)C ZINC001372111988 896727096 /nfs/dbraw/zinc/72/70/96/896727096.db2.gz YBPQUWZSUAHBFQ-LBPRGKRZSA-N 2 0 282.392 -0.334 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001372319396 896772334 /nfs/dbraw/zinc/77/23/34/896772334.db2.gz WHFIMSDQBAMDNS-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001372563512 896806967 /nfs/dbraw/zinc/80/69/67/896806967.db2.gz GGXUSQZUXRUPGB-KBPBESRZSA-N 2 0 299.415 -0.330 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CCn1cncn1 ZINC001372560471 896807401 /nfs/dbraw/zinc/80/74/01/896807401.db2.gz XFGKHIGTSOJAEJ-CYBMUJFWSA-N 2 0 294.403 -0.190 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CCn1cncn1 ZINC001372560475 896809394 /nfs/dbraw/zinc/80/93/94/896809394.db2.gz XFGKHIGTSOJAEJ-ZDUSSCGKSA-N 2 0 294.403 -0.190 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001372614737 896823077 /nfs/dbraw/zinc/82/30/77/896823077.db2.gz UDQXZPPNIQIUNF-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP COC[C@H](O)C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001372774813 896860040 /nfs/dbraw/zinc/86/00/40/896860040.db2.gz GBXLZFPAXNNBGK-KGLIPLIRSA-N 2 0 299.415 -0.332 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001372912381 896897924 /nfs/dbraw/zinc/89/79/24/896897924.db2.gz ZYVMNJNGVWZGNV-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001372953637 896912671 /nfs/dbraw/zinc/91/26/71/896912671.db2.gz ZAZJCHGZCQGMSI-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(N)=O ZINC001372946256 896914001 /nfs/dbraw/zinc/91/40/01/896914001.db2.gz MCBAMLRDFIJLAF-GHMZBOCLSA-N 2 0 270.377 -0.750 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001373195207 896954184 /nfs/dbraw/zinc/95/41/84/896954184.db2.gz KMHANBZHVARKJY-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH+](C)CC(N)=O)CC1 ZINC001373328977 896974105 /nfs/dbraw/zinc/97/41/05/896974105.db2.gz BBBFOBUWJMOWOH-UHFFFAOYSA-N 2 0 298.431 -0.016 20 0 CBADRP CC[C@H](C(=O)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001373453993 897021266 /nfs/dbraw/zinc/02/12/66/897021266.db2.gz GHLMQQKNGPVOKB-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001373599620 897064708 /nfs/dbraw/zinc/06/47/08/897064708.db2.gz DVLRSURKGRJMRR-RWMBFGLXSA-N 2 0 285.388 -0.722 20 0 CBADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCNC1=O ZINC001373825788 897130851 /nfs/dbraw/zinc/13/08/51/897130851.db2.gz PXKDWDRULUSTGR-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001374079903 897167420 /nfs/dbraw/zinc/16/74/20/897167420.db2.gz QTBOPGAUQBBMMJ-AAEUAGOBSA-N 2 0 296.419 -0.003 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001374112372 897170877 /nfs/dbraw/zinc/17/08/77/897170877.db2.gz NKDRUCNCAQYYQX-NSHDSACASA-N 2 0 272.393 -0.586 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001374210048 897190914 /nfs/dbraw/zinc/19/09/14/897190914.db2.gz YPLTVHHVWCUKRA-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)CC[NH+](C)C ZINC001374279039 897200732 /nfs/dbraw/zinc/20/07/32/897200732.db2.gz WVYMVSZWBYIXMT-QWRGUYRKSA-N 2 0 270.377 -0.737 20 0 CBADRP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001374278172 897201195 /nfs/dbraw/zinc/20/11/95/897201195.db2.gz GFFLZLGHJSVCSZ-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374310945 897213012 /nfs/dbraw/zinc/21/30/12/897213012.db2.gz FRHJHJNUCNMNIJ-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001374560711 897260828 /nfs/dbraw/zinc/26/08/28/897260828.db2.gz DYVNUJPAOSHUTL-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(=O)NC ZINC001374576458 897270593 /nfs/dbraw/zinc/27/05/93/897270593.db2.gz UNXZMFXPFMBWOZ-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(=O)NC ZINC001374576452 897271414 /nfs/dbraw/zinc/27/14/14/897271414.db2.gz UNXZMFXPFMBWOZ-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCCOC1 ZINC001374642891 897323797 /nfs/dbraw/zinc/32/37/97/897323797.db2.gz OYACYYZRBVLCPN-CHWSQXEVSA-N 2 0 287.404 -0.569 20 0 CBADRP CC[C@@H]([NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001374709373 897352376 /nfs/dbraw/zinc/35/23/76/897352376.db2.gz HTGCSGIHLFYKNZ-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[C@H]([NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001374709375 897355195 /nfs/dbraw/zinc/35/51/95/897355195.db2.gz HTGCSGIHLFYKNZ-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCN(CC)C1=O)C(=O)CC[NH+](C)C ZINC001374754463 897376512 /nfs/dbraw/zinc/37/65/12/897376512.db2.gz OHAMRZNNKZQRNW-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1cnnn1C ZINC001374827044 897404631 /nfs/dbraw/zinc/40/46/31/897404631.db2.gz GJIYSQUDGSAGLA-LLVKDONJSA-N 2 0 282.392 -0.249 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001374842959 897407542 /nfs/dbraw/zinc/40/75/42/897407542.db2.gz QBRLNEREWCMRSR-GRYCIOLGSA-N 2 0 273.377 -0.960 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001374873845 897415521 /nfs/dbraw/zinc/41/55/21/897415521.db2.gz UDHIZCWVAHASRD-TUAOUCFPSA-N 2 0 273.377 -0.818 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCCN(C)C1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001374923072 897433987 /nfs/dbraw/zinc/43/39/87/897433987.db2.gz ZDQVBEBWCBXCJZ-RWMBFGLXSA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+][C@H](C)C(N)=O)C1CC1 ZINC001375277129 897506410 /nfs/dbraw/zinc/50/64/10/897506410.db2.gz JYKAUEJATMZFJS-PWSUYJOCSA-N 2 0 284.404 -0.315 20 0 CBADRP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001375422171 897539116 /nfs/dbraw/zinc/53/91/16/897539116.db2.gz URTBARCOHZSTJR-WCQYABFASA-N 2 0 281.400 -0.053 20 0 CBADRP CCNC(=O)C[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001375428306 897541963 /nfs/dbraw/zinc/54/19/63/897541963.db2.gz CJBIGEMJYXWMTO-UHFFFAOYSA-N 2 0 296.415 -0.155 20 0 CBADRP NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001375435654 897543892 /nfs/dbraw/zinc/54/38/92/897543892.db2.gz JEMGTTXPZQZUHK-NEPJUHHUSA-N 2 0 294.399 -0.273 20 0 CBADRP CC[C@@H]([NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1)C(N)=O ZINC001375489737 897552958 /nfs/dbraw/zinc/55/29/58/897552958.db2.gz HBZFWJAGWBXBRR-VXGBXAGGSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001375502730 897554980 /nfs/dbraw/zinc/55/49/80/897554980.db2.gz QPHUAXMARDZPIE-SDDRHHMPSA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001375544219 897564465 /nfs/dbraw/zinc/56/44/65/897564465.db2.gz SHYAAMOEGBWUIP-AVGNSLFASA-N 2 0 298.431 -0.101 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](CCO)CCO)C1 ZINC001375637768 897579024 /nfs/dbraw/zinc/57/90/24/897579024.db2.gz XEYFHDGCUSDPMD-UONOGXRCSA-N 2 0 299.415 -0.642 20 0 CBADRP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C)C(N)=O ZINC001375766481 897603684 /nfs/dbraw/zinc/60/36/84/897603684.db2.gz VVTSYXOTGSOEBT-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001375764302 897604247 /nfs/dbraw/zinc/60/42/47/897604247.db2.gz ORVDZPNYEKGRNS-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH+](C)CCC(=O)NC1(C)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001375778927 897606645 /nfs/dbraw/zinc/60/66/45/897606645.db2.gz RCVKWVFZEKKRBZ-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001375896887 897619781 /nfs/dbraw/zinc/61/97/81/897619781.db2.gz NKPJCJYUSIUPFG-IUODEOHRSA-N 2 0 296.415 -0.358 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001375896891 897620193 /nfs/dbraw/zinc/62/01/93/897620193.db2.gz NKPJCJYUSIUPFG-WFASDCNBSA-N 2 0 296.415 -0.358 20 0 CBADRP CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001375895505 897620263 /nfs/dbraw/zinc/62/02/63/897620263.db2.gz MHDHIKNHUAQKLY-HNNXBMFYSA-N 2 0 296.415 -0.344 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCCO)C1 ZINC001376043809 897639912 /nfs/dbraw/zinc/63/99/12/897639912.db2.gz BGQZJRQAVZBJMF-ZFWWWQNUSA-N 2 0 299.415 -0.594 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@]1(O)CC[NH+](CCOC)C1 ZINC001376086489 897649371 /nfs/dbraw/zinc/64/93/71/897649371.db2.gz DMWYLHXKPRZHGM-CQSZACIVSA-N 2 0 287.404 -0.472 20 0 CBADRP CC[C@H](C(=O)NC[C@]1(O)CC[N@H+](CCOC)C1)[NH+](C)C ZINC001376100126 897653525 /nfs/dbraw/zinc/65/35/25/897653525.db2.gz ZSPPETSDOXMCHJ-TZMCWYRMSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H](C(=O)N(C)C)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001376151047 897676029 /nfs/dbraw/zinc/67/60/29/897676029.db2.gz LTCJHXLNJZNXOP-NWDGAFQWSA-N 2 0 284.404 -0.395 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C[C@H](C)O)C2)CC[N@@H+]1C ZINC001376169799 897681114 /nfs/dbraw/zinc/68/11/14/897681114.db2.gz MWOFZRRAXUHCIG-RWMBFGLXSA-N 2 0 299.415 -0.740 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]([NH2+][C@H](C)C(N)=O)C1CC1 ZINC001376276678 897703605 /nfs/dbraw/zinc/70/36/05/897703605.db2.gz KHKBJYAZCWIBEV-PWSUYJOCSA-N 2 0 284.404 -0.315 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001376341486 897716206 /nfs/dbraw/zinc/71/62/06/897716206.db2.gz QYNCYJPBOIXKRO-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1)C(N)=O ZINC001376377946 897722636 /nfs/dbraw/zinc/72/26/36/897722636.db2.gz UCXUJWTZTUTZPV-DDHJBXDOSA-N 2 0 284.404 -0.173 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001376386842 897722717 /nfs/dbraw/zinc/72/27/17/897722717.db2.gz BSJHSUJAYKGMLD-RYUDHWBXSA-N 2 0 273.377 -0.864 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001376386355 897723885 /nfs/dbraw/zinc/72/38/85/897723885.db2.gz GOEBYHSMKDPESU-XYPYZODXSA-N 2 0 270.377 -0.737 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(=O)NC)C[C@@H]2C1 ZINC001376413246 897727793 /nfs/dbraw/zinc/72/77/93/897727793.db2.gz OKQQRYUYOYQFJU-BETUJISGSA-N 2 0 296.415 -0.536 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001376470739 897748961 /nfs/dbraw/zinc/74/89/61/897748961.db2.gz UHANCAGGYSLMJB-XJFOESAGSA-N 2 0 299.415 -0.285 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@]1(CO)CCC[NH+](CCO)C1 ZINC001376503133 897761012 /nfs/dbraw/zinc/76/10/12/897761012.db2.gz TWLXLABYMXYEKF-AWEZNQCLSA-N 2 0 287.404 -0.736 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001376718629 897820507 /nfs/dbraw/zinc/82/05/07/897820507.db2.gz BCOJXCAETKZZRL-PWSUYJOCSA-N 2 0 282.388 -0.832 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001376798716 897850094 /nfs/dbraw/zinc/85/00/94/897850094.db2.gz HSLOLGSHORKODY-LLVKDONJSA-N 2 0 286.420 -0.195 20 0 CBADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001376803978 897851877 /nfs/dbraw/zinc/85/18/77/897851877.db2.gz SYJKVWLMCYTLTO-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H]1CCCNC1=O ZINC001376816132 897857805 /nfs/dbraw/zinc/85/78/05/897857805.db2.gz ZLYSERDLEBVKRU-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001376851624 897867345 /nfs/dbraw/zinc/86/73/45/897867345.db2.gz DRBREARTLIRACS-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001376853447 897871346 /nfs/dbraw/zinc/87/13/46/897871346.db2.gz WNZUOUIBHMRAOX-OLZOCXBDSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001376885400 897880836 /nfs/dbraw/zinc/88/08/36/897880836.db2.gz RXIHGMRYZHWODE-GHMZBOCLSA-N 2 0 280.376 -0.639 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001376922610 897891762 /nfs/dbraw/zinc/89/17/62/897891762.db2.gz SQLQEJRFTTZUOP-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001376943049 897896182 /nfs/dbraw/zinc/89/61/82/897896182.db2.gz VOXDJSCCRAIBQD-FRRDWIJNSA-N 2 0 296.415 -0.360 20 0 CBADRP C[N@H+](CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001376934084 897896818 /nfs/dbraw/zinc/89/68/18/897896818.db2.gz ISLWCMMRADNSKG-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP CNC(=O)C[N@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001376970221 897903315 /nfs/dbraw/zinc/90/33/15/897903315.db2.gz HBYGRDHCYUALSW-UHFFFAOYSA-N 2 0 272.393 -0.536 20 0 CBADRP CN(CCC[N@H+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CCC[NH+]1C ZINC001376967367 897903478 /nfs/dbraw/zinc/90/34/78/897903478.db2.gz SJRFEPAQSJFIFL-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CCNC(=O)C[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001377016698 897910321 /nfs/dbraw/zinc/91/03/21/897910321.db2.gz HLYQRTDFGPOSIN-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001377009424 897911872 /nfs/dbraw/zinc/91/18/72/897911872.db2.gz FEAJCDRTZGMLQT-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCC[C@](CO)([NH2+]CCO)C2)CC1 ZINC001377164395 897954690 /nfs/dbraw/zinc/95/46/90/897954690.db2.gz YGBCACOZRWPIPV-HNNXBMFYSA-N 2 0 299.415 -0.736 20 0 CBADRP CCCNC(=O)CN(C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001377253078 897986209 /nfs/dbraw/zinc/98/62/09/897986209.db2.gz UMLGOJWKASBNMH-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(N)=O ZINC001377425470 898042105 /nfs/dbraw/zinc/04/21/05/898042105.db2.gz AJDMQUBGZYCGGN-RYUDHWBXSA-N 2 0 284.404 -0.171 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001377449201 898051809 /nfs/dbraw/zinc/05/18/09/898051809.db2.gz BNQDVRIBIDVHAA-LLVKDONJSA-N 2 0 282.388 -0.748 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nncn1C ZINC001377480242 898061603 /nfs/dbraw/zinc/06/16/03/898061603.db2.gz WHBZTOQWECVKJB-NWDGAFQWSA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@H](O)C[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001377567041 898086091 /nfs/dbraw/zinc/08/60/91/898086091.db2.gz ITRYIBLMJIOZBO-QWHCGFSZSA-N 2 0 299.415 -0.596 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001377587759 898098661 /nfs/dbraw/zinc/09/86/61/898098661.db2.gz FISIOOKJZHIMSA-NWDGAFQWSA-N 2 0 286.420 -0.245 20 0 CBADRP C[NH+](C)CCC(=O)NCC[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001377713436 898122112 /nfs/dbraw/zinc/12/21/12/898122112.db2.gz XTSYKAMZOMGCLL-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H](C)[NH2+]CC(N)=O ZINC001377829653 898143235 /nfs/dbraw/zinc/14/32/35/898143235.db2.gz SAWMIFCUASDLBX-NXEZZACHSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]CC(N)=O ZINC001377841295 898146104 /nfs/dbraw/zinc/14/61/04/898146104.db2.gz WCJDNJGFWMMZBB-WDEREUQCSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001377864695 898152507 /nfs/dbraw/zinc/15/25/07/898152507.db2.gz HMQWEUNNIMUUHP-NEPJUHHUSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]CC(N)=O ZINC001377864705 898152635 /nfs/dbraw/zinc/15/26/35/898152635.db2.gz HMQWEUNNIMUUHP-NWDGAFQWSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1C[NH+](CCCO)C1 ZINC001378029044 898209984 /nfs/dbraw/zinc/20/99/84/898209984.db2.gz VCSGBXINAHWTPE-CYBMUJFWSA-N 2 0 299.415 -0.615 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCN([C@@H](C)C(=O)NC)C1 ZINC001378137999 898250921 /nfs/dbraw/zinc/25/09/21/898250921.db2.gz HQAGYZWVGMTOGM-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCN([C@H]2CCNC2=O)C1 ZINC001378136844 898254628 /nfs/dbraw/zinc/25/46/28/898254628.db2.gz BFOGRMTZRGYGEZ-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CCNC(=O)CN(C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001378145326 898255654 /nfs/dbraw/zinc/25/56/54/898255654.db2.gz QOHGSEXIQQAAKQ-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378162588 898261461 /nfs/dbraw/zinc/26/14/61/898261461.db2.gz CJIGFMRJXXDWCC-QWHCGFSZSA-N 2 0 287.404 -0.522 20 0 CBADRP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)[N@H+](C)CCO ZINC001378179730 898266891 /nfs/dbraw/zinc/26/68/91/898266891.db2.gz XFTNWGKCSBREOJ-GFCCVEGCSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)[C@@H]1CCNC1=O ZINC001378218377 898283668 /nfs/dbraw/zinc/28/36/68/898283668.db2.gz FYKFSLWETQVLQZ-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)NC ZINC001378305661 898308225 /nfs/dbraw/zinc/30/82/25/898308225.db2.gz VBMXHNRRJPWAMO-LBPRGKRZSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001378344206 898320731 /nfs/dbraw/zinc/32/07/31/898320731.db2.gz OZSWNOHVJOMSDZ-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H]([NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCC1)C(N)=O ZINC001378383700 898325262 /nfs/dbraw/zinc/32/52/62/898325262.db2.gz SAKXKRRYSPXECB-NEPJUHHUSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)CC1 ZINC001378447441 898327622 /nfs/dbraw/zinc/32/76/22/898327622.db2.gz DJOWJKHGPUIKSB-HAQNSBGRSA-N 2 0 296.415 -0.170 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)NC ZINC001378569899 898354489 /nfs/dbraw/zinc/35/44/89/898354489.db2.gz UWLRLFBGOHVDSI-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001378569838 898355475 /nfs/dbraw/zinc/35/54/75/898355475.db2.gz LXBUIMCNEJNEQT-QWHCGFSZSA-N 2 0 298.431 -0.066 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001378646162 898376902 /nfs/dbraw/zinc/37/69/02/898376902.db2.gz MWPKZHSLJUBSLZ-VXGBXAGGSA-N 2 0 284.404 -0.584 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001378818136 898415541 /nfs/dbraw/zinc/41/55/41/898415541.db2.gz ZQIFSGJMBPVZMG-VXGBXAGGSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001378912759 898430500 /nfs/dbraw/zinc/43/05/00/898430500.db2.gz OWMWGDLGFJLLFA-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N1CCC1 ZINC001378987870 898441383 /nfs/dbraw/zinc/44/13/83/898441383.db2.gz FKYRGWULPCBMDT-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C(C)C)[NH+](C)C ZINC001378995814 898441579 /nfs/dbraw/zinc/44/15/79/898441579.db2.gz GEOMSFXNOFEKKK-GHMZBOCLSA-N 2 0 272.393 -0.458 20 0 CBADRP Cc1cncn1CC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001379182885 898493103 /nfs/dbraw/zinc/49/31/03/898493103.db2.gz ATPCWURWCIEELJ-ZYHUDNBSSA-N 2 0 293.371 -0.483 20 0 CBADRP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)cn1 ZINC001379232268 898516970 /nfs/dbraw/zinc/51/69/70/898516970.db2.gz SSGMWIWICHRNOO-CHWSQXEVSA-N 2 0 295.387 -0.919 20 0 CBADRP C[C@H]([NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)c1cnccn1 ZINC001379238539 898517452 /nfs/dbraw/zinc/51/74/52/898517452.db2.gz LHPDHTZWQKATKY-RYUDHWBXSA-N 2 0 295.387 -0.444 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001379260166 898528014 /nfs/dbraw/zinc/52/80/14/898528014.db2.gz RBRKCJPKGBWTNS-NWDGAFQWSA-N 2 0 298.387 -0.110 20 0 CBADRP Cn1nccc1C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001379285223 898535495 /nfs/dbraw/zinc/53/54/95/898535495.db2.gz JVDNUAQFMLRXAG-CYBMUJFWSA-N 2 0 295.387 -0.917 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)C(=O)NC ZINC001379285700 898537727 /nfs/dbraw/zinc/53/77/27/898537727.db2.gz QCDYDTMXEQYAID-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccccn2)C1 ZINC001379290168 898540352 /nfs/dbraw/zinc/54/03/52/898540352.db2.gz QYPWVNGQZPBEIM-TZMCWYRMSA-N 2 0 292.383 -0.400 20 0 CBADRP C[C@H](CC[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)CC[NH+](C)C ZINC001379316190 898546506 /nfs/dbraw/zinc/54/65/06/898546506.db2.gz VDJVBQLJMFYVTD-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001379328517 898551258 /nfs/dbraw/zinc/55/12/58/898551258.db2.gz ZHSHJSKSPCBUSF-LLVKDONJSA-N 2 0 272.393 -0.491 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(=O)N(C)C)C(=O)CC[NH+](C)C ZINC001379329745 898551396 /nfs/dbraw/zinc/55/13/96/898551396.db2.gz ZAXSSULNKSLHRM-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001379410972 898602848 /nfs/dbraw/zinc/60/28/48/898602848.db2.gz FSJHHMKTUMLQIM-GRYCIOLGSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379460476 898621477 /nfs/dbraw/zinc/62/14/77/898621477.db2.gz OITVJQAQKJBQPK-GHMZBOCLSA-N 2 0 280.376 -0.639 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]CC1CCOCC1 ZINC001379465881 898624657 /nfs/dbraw/zinc/62/46/57/898624657.db2.gz FQRADDIJJWJXHZ-CYBMUJFWSA-N 2 0 287.404 -0.569 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001379466801 898625803 /nfs/dbraw/zinc/62/58/03/898625803.db2.gz MOYJJWPABNBAQF-GFCCVEGCSA-N 2 0 284.404 -0.347 20 0 CBADRP CCn1nncc1C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001379472861 898627932 /nfs/dbraw/zinc/62/79/32/898627932.db2.gz XUXSLKDCPLIMMT-GFCCVEGCSA-N 2 0 294.403 -0.012 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001379510726 898649915 /nfs/dbraw/zinc/64/99/15/898649915.db2.gz VWAJYVPGQOAVTD-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001379541070 898661113 /nfs/dbraw/zinc/66/11/13/898661113.db2.gz UOTOZXMWODGOPE-AAEUAGOBSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001379583937 898671995 /nfs/dbraw/zinc/67/19/95/898671995.db2.gz XUOZMAAHPPYLGL-NSHDSACASA-N 2 0 294.399 -0.545 20 0 CBADRP C[C@H](C[N@H+](C)[C@H]1CCCNC1=O)NC(=O)CC[NH+](C)C ZINC001379743640 898718036 /nfs/dbraw/zinc/71/80/36/898718036.db2.gz QGXVBDSYMVYZGK-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)(C(=O)NCC1([NH2+]CC(N)=O)CC1)[NH+]1CCCCC1 ZINC001380079336 898804058 /nfs/dbraw/zinc/80/40/58/898804058.db2.gz JRUFOCJBCXQBJQ-UHFFFAOYSA-N 2 0 296.415 -0.025 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC1([NH2+]CCn2cncn2)CC1 ZINC001380169807 898826073 /nfs/dbraw/zinc/82/60/73/898826073.db2.gz NMTOVBFCXOKGEV-UHFFFAOYSA-N 2 0 292.387 -0.388 20 0 CBADRP C[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)CC1 ZINC001380291982 898850256 /nfs/dbraw/zinc/85/02/56/898850256.db2.gz QXPJVKABFKOGKA-LBPRGKRZSA-N 2 0 282.388 -0.606 20 0 CBADRP C[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)CC1 ZINC001380291981 898850681 /nfs/dbraw/zinc/85/06/81/898850681.db2.gz QXPJVKABFKOGKA-GFCCVEGCSA-N 2 0 282.388 -0.606 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001380288249 898850898 /nfs/dbraw/zinc/85/08/98/898850898.db2.gz VWGDMYDGVBYKRB-LLVKDONJSA-N 2 0 280.372 -0.852 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(N)=O)C2 ZINC001380656909 898931331 /nfs/dbraw/zinc/93/13/31/898931331.db2.gz GMRUKNOQIVEJEL-XQQFMLRXSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001380840975 898958337 /nfs/dbraw/zinc/95/83/37/898958337.db2.gz OIFDDIYCVSWYQU-GFCCVEGCSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001380912018 898969492 /nfs/dbraw/zinc/96/94/92/898969492.db2.gz HNQOSGZMYMKUFX-JSGCOSHPSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC(N)=O)CC[N@@H+]1C ZINC001380956683 898977967 /nfs/dbraw/zinc/97/79/67/898977967.db2.gz HQVBGLJKAYIZKQ-VXGBXAGGSA-N 2 0 284.404 -0.408 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCF)C1 ZINC001381042301 898988103 /nfs/dbraw/zinc/98/81/03/898988103.db2.gz GZGIIITWYDUWPW-GXTWGEPZSA-N 2 0 287.379 -0.007 20 0 CBADRP C[C@@H](O)C[NH2+]CC1(NC(=O)CC[NH+](C)C)CCOCC1 ZINC001381073184 898990934 /nfs/dbraw/zinc/99/09/34/898990934.db2.gz NMRXTNJEQHPBSX-GFCCVEGCSA-N 2 0 287.404 -0.426 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001381097243 898996348 /nfs/dbraw/zinc/99/63/48/898996348.db2.gz PWZJLYBFDCTXFJ-WCQYABFASA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001381322529 899029160 /nfs/dbraw/zinc/02/91/60/899029160.db2.gz AFHSNOFGPPGBIZ-WXRRBKDZSA-N 2 0 296.415 -0.171 20 0 CBADRP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001381334933 899033067 /nfs/dbraw/zinc/03/30/67/899033067.db2.gz JFFJYVQKEIDNIM-UHFFFAOYSA-N 2 0 270.377 -0.702 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001381425238 899044575 /nfs/dbraw/zinc/04/45/75/899044575.db2.gz YMFNUUBHJWMUKB-MNOVXSKESA-N 2 0 272.393 -0.443 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CCn1cncn1 ZINC001381624931 899095370 /nfs/dbraw/zinc/09/53/70/899095370.db2.gz YSXFVAKJBDJLJI-STQMWFEESA-N 2 0 294.403 -0.334 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@H]1CCN(C)C1=O ZINC001381639201 899099133 /nfs/dbraw/zinc/09/91/33/899099133.db2.gz AFCIMPJPIVTUKL-STQMWFEESA-N 2 0 298.431 -0.006 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@@H]1CCN(C)C1=O ZINC001381639200 899101401 /nfs/dbraw/zinc/10/14/01/899101401.db2.gz AFCIMPJPIVTUKL-QWHCGFSZSA-N 2 0 298.431 -0.006 20 0 CBADRP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](CCn2cncn2)C1 ZINC001381803824 899115452 /nfs/dbraw/zinc/11/54/52/899115452.db2.gz MGIPUNPCJPHXRZ-LBPRGKRZSA-N 2 0 294.403 -0.334 20 0 CBADRP C[C@@H]([NH2+]CCO)[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001381916367 899130309 /nfs/dbraw/zinc/13/03/09/899130309.db2.gz GNJUSAMBMHWRBA-TZMCWYRMSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@H]([NH2+]CCO)[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001381937510 899130714 /nfs/dbraw/zinc/13/07/14/899130714.db2.gz UTIDJCDFBUUXME-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)CCC1 ZINC001381961042 899136961 /nfs/dbraw/zinc/13/69/61/899136961.db2.gz GOYJNYCGZIFNLS-XYPYZODXSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001382028305 899142951 /nfs/dbraw/zinc/14/29/51/899142951.db2.gz CEAREZGIBLXCDA-YPMHNXCESA-N 2 0 296.415 -0.360 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001382110891 899155993 /nfs/dbraw/zinc/15/59/93/899155993.db2.gz GQDXABZKOOGVNY-QWRGUYRKSA-N 2 0 272.393 -0.491 20 0 CBADRP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(N)=O ZINC001382121619 899161304 /nfs/dbraw/zinc/16/13/04/899161304.db2.gz LYIYHNNNHYHYTE-QWRGUYRKSA-N 2 0 270.377 -0.750 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC ZINC001382142588 899163666 /nfs/dbraw/zinc/16/36/66/899163666.db2.gz OQEQIHUNAYUXOD-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001382152757 899167940 /nfs/dbraw/zinc/16/79/40/899167940.db2.gz MJGOXMSHSJWTQN-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP CC1CC[NH+](CC(=O)NC[C@@H](CO)[NH2+]CCF)CC1 ZINC001382251314 899212222 /nfs/dbraw/zinc/21/22/22/899212222.db2.gz HWVCXYJUTVUOTD-LBPRGKRZSA-N 2 0 275.368 -0.246 20 0 CBADRP CCC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001382275252 899229699 /nfs/dbraw/zinc/22/96/99/899229699.db2.gz RBGVMDATHXWZQX-QWHCGFSZSA-N 2 0 287.404 -0.569 20 0 CBADRP CCN1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC(C)C)C1 ZINC001382283349 899233503 /nfs/dbraw/zinc/23/35/03/899233503.db2.gz MRCGYZBEHXFMQM-OLZOCXBDSA-N 2 0 287.404 -0.570 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382320370 899248633 /nfs/dbraw/zinc/24/86/33/899248633.db2.gz UUVJUXFTNLKZAO-QWRGUYRKSA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001455260851 914328879 /nfs/dbraw/zinc/32/88/79/914328879.db2.gz IFMSNEBHAKDDBJ-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2nncn2C)C1 ZINC001382587725 899334343 /nfs/dbraw/zinc/33/43/43/899334343.db2.gz PJQNIRDEIJNIRQ-UHFFFAOYSA-N 2 0 294.403 -0.154 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001388672667 899898346 /nfs/dbraw/zinc/89/83/46/899898346.db2.gz QWKXCPHZDIGZMC-CRWXNKLISA-N 2 0 299.415 -0.428 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001388701987 899901170 /nfs/dbraw/zinc/90/11/70/899901170.db2.gz GSJJJGNSQWPKDR-BETUJISGSA-N 2 0 296.415 -0.168 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001388736880 899908866 /nfs/dbraw/zinc/90/88/66/899908866.db2.gz UDSMDZVULGMFHV-AVGNSLFASA-N 2 0 296.415 -0.441 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001389337624 899997177 /nfs/dbraw/zinc/99/71/77/899997177.db2.gz CDWIBWMQOGXVHJ-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001389436193 900010939 /nfs/dbraw/zinc/01/09/39/900010939.db2.gz MITCSBVNGYJBKD-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001389851107 900082881 /nfs/dbraw/zinc/08/28/81/900082881.db2.gz WVYZAFLLNVFXLA-DDHJBXDOSA-N 2 0 282.388 -0.691 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001389861286 900087389 /nfs/dbraw/zinc/08/73/89/900087389.db2.gz NMBXGPCDAMRKDZ-OBJOEFQTSA-N 2 0 298.431 -0.055 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001389884054 900089493 /nfs/dbraw/zinc/08/94/93/900089493.db2.gz OBWODEVDHXDQFX-JHJVBQTASA-N 2 0 299.415 -0.428 20 0 CBADRP CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001389986696 900102004 /nfs/dbraw/zinc/10/20/04/900102004.db2.gz JWLDYCKNGMMLSU-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001390053443 900108240 /nfs/dbraw/zinc/10/82/40/900108240.db2.gz BDUQBTHPUURQAZ-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H]([NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1)C(N)=O ZINC001390265750 900126908 /nfs/dbraw/zinc/12/69/08/900126908.db2.gz NFQJVAZWLXMVBN-UNXYVOJBSA-N 2 0 284.404 -0.171 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001390367844 900146723 /nfs/dbraw/zinc/14/67/23/900146723.db2.gz MHPREPLCUZOMHU-WCQYABFASA-N 2 0 296.415 -0.441 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001390462741 900166069 /nfs/dbraw/zinc/16/60/69/900166069.db2.gz NHNZOJWRQFPICZ-QWRGUYRKSA-N 2 0 284.404 -0.443 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001390459653 900166140 /nfs/dbraw/zinc/16/61/40/900166140.db2.gz MKIKSEDQDOSVOW-SDDRHHMPSA-N 2 0 273.377 -0.818 20 0 CBADRP C[C@H](C(=O)NC[C@H](C)[NH2+]CC(N)=O)[NH+]1CCCCCC1 ZINC001390471555 900169523 /nfs/dbraw/zinc/16/95/23/900169523.db2.gz AQCGYMGJZXZQKG-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CCN1CCNC1=O)[NH+](C)C ZINC001390516254 900179300 /nfs/dbraw/zinc/17/93/00/900179300.db2.gz XNTYITACLVMPFB-NEPJUHHUSA-N 2 0 299.419 -0.554 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001390538775 900184040 /nfs/dbraw/zinc/18/40/40/900184040.db2.gz PAFSCUSQJVVIAL-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+][C@H]1CCNC1=O ZINC001390537961 900184775 /nfs/dbraw/zinc/18/47/75/900184775.db2.gz YVAVSPBGRSJKFO-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001390548855 900188127 /nfs/dbraw/zinc/18/81/27/900188127.db2.gz FXQJTZSTQLKTCT-QWHCGFSZSA-N 2 0 294.399 -0.450 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001390557206 900189404 /nfs/dbraw/zinc/18/94/04/900189404.db2.gz NZBTWDHAIWXYHO-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001390577178 900191944 /nfs/dbraw/zinc/19/19/44/900191944.db2.gz SINVUURELUXETH-ZDUSSCGKSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001390587098 900193247 /nfs/dbraw/zinc/19/32/47/900193247.db2.gz AYHFHZUDAMELRU-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001390616437 900196928 /nfs/dbraw/zinc/19/69/28/900196928.db2.gz QOIPBNNFDDONPU-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(N)=O)[NH+](C)C ZINC001390710880 900212124 /nfs/dbraw/zinc/21/21/24/900212124.db2.gz HSCSXBRMQOOLCH-JQWIXIFHSA-N 2 0 272.393 -0.458 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001390711319 900216461 /nfs/dbraw/zinc/21/64/61/900216461.db2.gz IUSLEGCVCXFRJF-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)[C@H]1CCN(C)C1=O ZINC001391028238 900292467 /nfs/dbraw/zinc/29/24/67/900292467.db2.gz XHJMOMFYPBWZFC-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CCCN1[C@H]1CCNC1=O ZINC001391060588 900299618 /nfs/dbraw/zinc/29/96/18/900299618.db2.gz IVXWOPYVXYFRSS-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001391112597 900312860 /nfs/dbraw/zinc/31/28/60/900312860.db2.gz CLOWTMCFHSYYNA-GFCCVEGCSA-N 2 0 284.404 -0.489 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001391107427 900313704 /nfs/dbraw/zinc/31/37/04/900313704.db2.gz AVGMXPOTEVPCCI-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001391108494 900314557 /nfs/dbraw/zinc/31/45/57/900314557.db2.gz HCEPYMZFZFVRAH-DGCLKSJQSA-N 2 0 284.404 -0.504 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001391108498 900316485 /nfs/dbraw/zinc/31/64/85/900316485.db2.gz HCEPYMZFZFVRAH-WCQYABFASA-N 2 0 284.404 -0.504 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001391207570 900334044 /nfs/dbraw/zinc/33/40/44/900334044.db2.gz LSXXQOATYPWYRY-NSHDSACASA-N 2 0 282.388 -0.463 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001391206543 900335624 /nfs/dbraw/zinc/33/56/24/900335624.db2.gz INKDCPUXMHRSNQ-WCQYABFASA-N 2 0 296.415 -0.489 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@H]1CCCN(C)C1=O ZINC001391223651 900341834 /nfs/dbraw/zinc/34/18/34/900341834.db2.gz BDXZBCSYICHKBD-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001391223514 900341938 /nfs/dbraw/zinc/34/19/38/900341938.db2.gz GPYYEQZURIFZPU-SNVBAGLBSA-N 2 0 270.377 -0.750 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001391222927 900343991 /nfs/dbraw/zinc/34/39/91/900343991.db2.gz VGEQDDLSFYOORY-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001391340902 900356551 /nfs/dbraw/zinc/35/65/51/900356551.db2.gz QIOOXNWKAIPIIM-LBPRGKRZSA-N 2 0 284.404 -0.358 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NC)C1)[NH+](C)C ZINC001391365100 900359547 /nfs/dbraw/zinc/35/95/47/900359547.db2.gz WJBYHORUBSVHDC-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)[C@H](C)C(N)=O)C1 ZINC001391354408 900362067 /nfs/dbraw/zinc/36/20/67/900362067.db2.gz PEKMYLRYMINEDR-OLZOCXBDSA-N 2 0 298.431 -0.018 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001391371451 900365626 /nfs/dbraw/zinc/36/56/26/900365626.db2.gz QHJAMQDUKCKDSJ-HZSPNIEDSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[C@@H](C(=O)NC1CN(C[C@H](O)COC)C1)[NH+](C)C ZINC001391455632 900383392 /nfs/dbraw/zinc/38/33/92/900383392.db2.gz RGISDXZXURPUKI-RYUDHWBXSA-N 2 0 273.377 -0.866 20 0 CBADRP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001391624068 900421421 /nfs/dbraw/zinc/42/14/21/900421421.db2.gz RSHRONIICDUANJ-CYBMUJFWSA-N 2 0 294.403 -0.238 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001391633099 900422758 /nfs/dbraw/zinc/42/27/58/900422758.db2.gz TWHAZZLERISJSE-MGPQQGTHSA-N 2 0 299.415 -0.379 20 0 CBADRP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]CC(N)=O ZINC001391744226 900445693 /nfs/dbraw/zinc/44/56/93/900445693.db2.gz RFYNQBOQNQLOLE-ZYHUDNBSSA-N 2 0 272.393 -0.458 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001391862482 900454062 /nfs/dbraw/zinc/45/40/62/900454062.db2.gz ZTWCPFANHGCVOQ-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+][C@@H]1CCNC1=O ZINC001391927271 900463941 /nfs/dbraw/zinc/46/39/41/900463941.db2.gz VRMLLRIGGQCOGG-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001391956404 900472153 /nfs/dbraw/zinc/47/21/53/900472153.db2.gz FJNJKQMBLGFOAE-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001391967707 900477403 /nfs/dbraw/zinc/47/74/03/900477403.db2.gz POGUUXYRJNOITF-OCCSQVGLSA-N 2 0 298.431 -0.066 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001391967704 900477662 /nfs/dbraw/zinc/47/76/62/900477662.db2.gz POGUUXYRJNOITF-JSGCOSHPSA-N 2 0 298.431 -0.066 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001392066876 900506481 /nfs/dbraw/zinc/50/64/81/900506481.db2.gz WKKHUSDTSULFIA-WCQYABFASA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001392103975 900511024 /nfs/dbraw/zinc/51/10/24/900511024.db2.gz WBKOTEGUEBDLKK-LLVKDONJSA-N 2 0 286.420 -0.114 20 0 CBADRP CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001392120484 900517735 /nfs/dbraw/zinc/51/77/35/900517735.db2.gz NVJJKIZECCCCIC-MNOVXSKESA-N 2 0 272.393 -0.362 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001392125051 900519691 /nfs/dbraw/zinc/51/96/91/900519691.db2.gz VUGBHLGYUOPSIC-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001392183601 900529766 /nfs/dbraw/zinc/52/97/66/900529766.db2.gz RGESINHTOSPUCC-OLZOCXBDSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001392225893 900536280 /nfs/dbraw/zinc/53/62/80/900536280.db2.gz HHKVMIPZUMCPKU-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001392255285 900542762 /nfs/dbraw/zinc/54/27/62/900542762.db2.gz YSVVINSTRDKZTF-NWDGAFQWSA-N 2 0 284.404 -0.586 20 0 CBADRP C[N@H+](CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001392348342 900573721 /nfs/dbraw/zinc/57/37/21/900573721.db2.gz YBCNSXRVXHTVRX-DGCLKSJQSA-N 2 0 296.415 -0.170 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(=O)NC ZINC001392357294 900581768 /nfs/dbraw/zinc/58/17/68/900581768.db2.gz UNWTYFHRQNYWPA-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC([NH2+][C@H]3CCOC3)C2)C1 ZINC001456298677 914457427 /nfs/dbraw/zinc/45/74/27/914457427.db2.gz OXNQEKWVKTWJDE-QWRGUYRKSA-N 2 0 253.346 -0.473 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC([NH2+][C@H]3CCOC3)C2)C1 ZINC001456298675 914457491 /nfs/dbraw/zinc/45/74/91/914457491.db2.gz OXNQEKWVKTWJDE-MNOVXSKESA-N 2 0 253.346 -0.473 20 0 CBADRP Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)o1 ZINC001392390527 900598869 /nfs/dbraw/zinc/59/88/69/900598869.db2.gz GQWCSDKMJFWGLX-LLVKDONJSA-N 2 0 284.360 -0.499 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]CC1CCOCC1 ZINC001392427604 900613712 /nfs/dbraw/zinc/61/37/12/900613712.db2.gz OMXYBPZJOLEAQY-CQSZACIVSA-N 2 0 299.415 -0.425 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cccnc2)C1 ZINC001392424850 900614709 /nfs/dbraw/zinc/61/47/09/900614709.db2.gz KLQGLZOTAPBVMH-ZIAGYGMSSA-N 2 0 292.383 -0.400 20 0 CBADRP Cc1nocc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392426501 900614784 /nfs/dbraw/zinc/61/47/84/900614784.db2.gz MTTUWCAGIOQPMZ-AAEUAGOBSA-N 2 0 296.371 -0.499 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]CC1CCOCC1 ZINC001392427599 900615159 /nfs/dbraw/zinc/61/51/59/900615159.db2.gz OMXYBPZJOLEAQY-AWEZNQCLSA-N 2 0 299.415 -0.425 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(=O)N(C)C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001392437393 900616238 /nfs/dbraw/zinc/61/62/38/900616238.db2.gz BWMOCRUVIUQHQX-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CCC[NH+](C)C ZINC001392507082 900640428 /nfs/dbraw/zinc/64/04/28/900640428.db2.gz PODCIIQNNUILJP-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001392510609 900641603 /nfs/dbraw/zinc/64/16/03/900641603.db2.gz FXXANGPJOAPYMC-MNOVXSKESA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(C)C)[NH+](C)C ZINC001392512968 900645371 /nfs/dbraw/zinc/64/53/71/900645371.db2.gz QZHNEKOBLQBRJC-NEPJUHHUSA-N 2 0 286.420 -0.055 20 0 CBADRP C[C@H](C[NH2+]Cc1nccn1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392530289 900647670 /nfs/dbraw/zinc/64/76/70/900647670.db2.gz PEDVZXMVLOTRLU-VXGBXAGGSA-N 2 0 279.388 -0.034 20 0 CBADRP C[C@H](C[NH2+]Cc1nccn1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392530288 900648726 /nfs/dbraw/zinc/64/87/26/900648726.db2.gz PEDVZXMVLOTRLU-NEPJUHHUSA-N 2 0 279.388 -0.034 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001392571526 900665006 /nfs/dbraw/zinc/66/50/06/900665006.db2.gz AIHQKFJYBBKTSW-QJPTWQEYSA-N 2 0 286.420 -0.102 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001392568883 900665112 /nfs/dbraw/zinc/66/51/12/900665112.db2.gz RFCOFBGAXMMBGW-NSHDSACASA-N 2 0 296.415 -0.156 20 0 CBADRP COC[C@@H](O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001392673980 900696332 /nfs/dbraw/zinc/69/63/32/900696332.db2.gz CRDVXHPXWAONAQ-RWMBFGLXSA-N 2 0 287.404 -0.476 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001392797617 900726542 /nfs/dbraw/zinc/72/65/42/900726542.db2.gz FTOTZYNNJCTEKN-STQMWFEESA-N 2 0 296.415 -0.301 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001392796481 900728515 /nfs/dbraw/zinc/72/85/15/900728515.db2.gz DWYVFWARHSXXGO-ZYHUDNBSSA-N 2 0 282.388 -0.702 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001392899181 900755355 /nfs/dbraw/zinc/75/53/55/900755355.db2.gz TVDICWQNCHUGGX-LLVKDONJSA-N 2 0 282.388 -0.417 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)C(N)=O ZINC001393053230 900786858 /nfs/dbraw/zinc/78/68/58/900786858.db2.gz LNECXPOSRHJAEF-RYUDHWBXSA-N 2 0 284.404 -0.219 20 0 CBADRP CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001393143603 900799654 /nfs/dbraw/zinc/79/96/54/900799654.db2.gz LSPFMTYWGRCZHM-DOMZBBRYSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@](C)(C[NH2+]CC(N)=O)C2)CC1 ZINC001393146478 900799877 /nfs/dbraw/zinc/79/98/77/900799877.db2.gz IEILMDBDZBHVAN-CQSZACIVSA-N 2 0 296.415 -0.358 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001393388730 900849412 /nfs/dbraw/zinc/84/94/12/900849412.db2.gz QAEDXMMYOZHSOV-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001393643810 900885638 /nfs/dbraw/zinc/88/56/38/900885638.db2.gz JFOYQELXMYQBTB-LBPRGKRZSA-N 2 0 284.404 -0.536 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001393644804 900886875 /nfs/dbraw/zinc/88/68/75/900886875.db2.gz QBTDTMMXRJXRMF-QWHCGFSZSA-N 2 0 298.431 -0.018 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]CC(=O)N(C)C ZINC001393743637 900900865 /nfs/dbraw/zinc/90/08/65/900900865.db2.gz GGYXEPYYULDOIT-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[C@@H]([NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001393809985 900908389 /nfs/dbraw/zinc/90/83/89/900908389.db2.gz ACDKQMDJEDWHKT-QJPTWQEYSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H]([NH2+]CCn1cncn1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001393965951 900943092 /nfs/dbraw/zinc/94/30/92/900943092.db2.gz GBCYIDGBYBZJJY-NEPJUHHUSA-N 2 0 282.392 -0.287 20 0 CBADRP CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001394032041 900950072 /nfs/dbraw/zinc/95/00/72/900950072.db2.gz FPLSQRRPQFUKEN-UHFFFAOYSA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC001394370773 901021101 /nfs/dbraw/zinc/02/11/01/901021101.db2.gz AABFXNVGOCCRHD-SRVKXCTJSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@H]1CCCN(C)C1=O ZINC001394519655 901044102 /nfs/dbraw/zinc/04/41/02/901044102.db2.gz MQSNOPPJZNQQPA-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001394552581 901048103 /nfs/dbraw/zinc/04/81/03/901048103.db2.gz IAWDOYOQRFPELG-OLZOCXBDSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N(C)C ZINC001394561695 901050890 /nfs/dbraw/zinc/05/08/90/901050890.db2.gz YBEXJSKGQVPDSP-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP Cn1cncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001394573028 901062711 /nfs/dbraw/zinc/06/27/11/901062711.db2.gz BFJHVWWFWSTWTE-YPMHNXCESA-N 2 0 295.387 -0.919 20 0 CBADRP C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001394611471 901087650 /nfs/dbraw/zinc/08/76/50/901087650.db2.gz GWLZZSYXVBJHIU-OLZOCXBDSA-N 2 0 299.415 -0.690 20 0 CBADRP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)cn1 ZINC001394616677 901089197 /nfs/dbraw/zinc/08/91/97/901089197.db2.gz NPNJYBWSVVPMEL-CHWSQXEVSA-N 2 0 295.387 -0.919 20 0 CBADRP C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001394622935 901093409 /nfs/dbraw/zinc/09/34/09/901093409.db2.gz YXDPJSMCCSXBFR-NEPJUHHUSA-N 2 0 287.404 -0.692 20 0 CBADRP Cc1ncc(C[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C)o1 ZINC001394759764 901143962 /nfs/dbraw/zinc/14/39/62/901143962.db2.gz LKHXQFNZACEOFA-LBPRGKRZSA-N 2 0 298.387 -0.156 20 0 CBADRP CN(C[C@@H](O)C[N@H+](C)CCCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001394772478 901151512 /nfs/dbraw/zinc/15/15/12/901151512.db2.gz XRUGMQFPTAACGS-STQMWFEESA-N 2 0 287.404 -0.786 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@H]1CC[N@@H+]1CCO ZINC001397024242 901356768 /nfs/dbraw/zinc/35/67/68/901356768.db2.gz BWGZQGOJQBSCID-ZIAGYGMSSA-N 2 0 299.415 -0.520 20 0 CBADRP C[NH+](C)CCCC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001397075883 901363249 /nfs/dbraw/zinc/36/32/49/901363249.db2.gz IAADFRWXPPZRRA-XQQFMLRXSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001397167094 901371420 /nfs/dbraw/zinc/37/14/20/901371420.db2.gz MJYYEOGPWHOAOU-QWHCGFSZSA-N 2 0 296.415 -0.297 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001397602629 901436534 /nfs/dbraw/zinc/43/65/34/901436534.db2.gz FFZPKADGAQJQEQ-FRRDWIJNSA-N 2 0 296.415 -0.299 20 0 CBADRP CN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)CC[NH+](C)C ZINC001397981532 901486176 /nfs/dbraw/zinc/48/61/76/901486176.db2.gz IMYPZYFDNLAHOS-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP CCN(CCNC(=O)CC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001398134002 901502308 /nfs/dbraw/zinc/50/23/08/901502308.db2.gz OWABDCVYUPFXIX-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]([NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001398432101 901537524 /nfs/dbraw/zinc/53/75/24/901537524.db2.gz FJQBTOKTWRCMOM-NEPJUHHUSA-N 2 0 282.388 -0.689 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001398572922 901565738 /nfs/dbraw/zinc/56/57/38/901565738.db2.gz YLWGTUNMJJAKGC-XYPYZODXSA-N 2 0 270.377 -0.560 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001398619069 901575782 /nfs/dbraw/zinc/57/57/82/901575782.db2.gz PADQFSNTRMYIRW-BETUJISGSA-N 2 0 294.403 -0.143 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)[NH+](C)C ZINC001398673336 901587316 /nfs/dbraw/zinc/58/73/16/901587316.db2.gz UCXUXUHMRBDHOY-RNJOBUHISA-N 2 0 296.415 -0.302 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@H]21)[NH+](C)C ZINC001398804656 901605462 /nfs/dbraw/zinc/60/54/62/901605462.db2.gz OXIUTFODDHZASX-LBELIVKGSA-N 2 0 296.415 -0.493 20 0 CBADRP C[NH+](C)CCCC(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001398842392 901610508 /nfs/dbraw/zinc/61/05/08/901610508.db2.gz RBUCDHDECGORJH-UHFFFAOYSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NCC1CC1 ZINC001398889672 901621711 /nfs/dbraw/zinc/62/17/11/901621711.db2.gz SVMUYVTVKNPBIS-YPMHNXCESA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001398947082 901640006 /nfs/dbraw/zinc/64/00/06/901640006.db2.gz OHEZHRAKZXUNKK-JQWIXIFHSA-N 2 0 272.393 -0.587 20 0 CBADRP CC[C@H](C(=O)NC[C@H](C)[NH2+]CCn1cncn1)[NH+](C)C ZINC001398961963 901641542 /nfs/dbraw/zinc/64/15/42/901641542.db2.gz BKSWAEXTJVIWPC-NWDGAFQWSA-N 2 0 282.392 -0.287 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001399177151 901680110 /nfs/dbraw/zinc/68/01/10/901680110.db2.gz VSJCTMDQYOYPMV-GHMZBOCLSA-N 2 0 270.377 -0.691 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001399217668 901684090 /nfs/dbraw/zinc/68/40/90/901684090.db2.gz FTHSJXXDPSCMAE-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001399249762 901687965 /nfs/dbraw/zinc/68/79/65/901687965.db2.gz WZJNYOJWRVTKPQ-TZMCWYRMSA-N 2 0 298.431 -0.243 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001399258756 901688366 /nfs/dbraw/zinc/68/83/66/901688366.db2.gz XCHJWLDUMNXOEQ-NEPJUHHUSA-N 2 0 284.404 -0.362 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001399303845 901693889 /nfs/dbraw/zinc/69/38/89/901693889.db2.gz CVMSKRPUBOHKEG-DGCLKSJQSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@@H]1CCNC1=O ZINC001399378717 901705359 /nfs/dbraw/zinc/70/53/59/901705359.db2.gz VXGBEICBLLKZEN-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001400190849 901892813 /nfs/dbraw/zinc/89/28/13/901892813.db2.gz ZJNOXABKAWLGHB-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001400659193 901989562 /nfs/dbraw/zinc/98/95/62/901989562.db2.gz PXEWQWIHAZRAJD-TZMCWYRMSA-N 2 0 299.415 -0.332 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001400660907 901991634 /nfs/dbraw/zinc/99/16/34/901991634.db2.gz GGMVFBLNNOSWPW-YIYPIFLZSA-N 2 0 299.415 -0.476 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001400807393 902020458 /nfs/dbraw/zinc/02/04/58/902020458.db2.gz UXMMTGQLDFTXRB-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H](CC)C(N)=O ZINC001400929709 902035260 /nfs/dbraw/zinc/03/52/60/902035260.db2.gz PIGKPWUNADAXQZ-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001401298887 902098543 /nfs/dbraw/zinc/09/85/43/902098543.db2.gz PAWBMVJJUSKPAP-NEPJUHHUSA-N 2 0 296.415 -0.360 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001401295363 902098980 /nfs/dbraw/zinc/09/89/80/902098980.db2.gz KGCFQKCMLZCAKN-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP COC[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001401435003 902124097 /nfs/dbraw/zinc/12/40/97/902124097.db2.gz GWVPDMWVOQMRNS-CHWSQXEVSA-N 2 0 287.404 -0.664 20 0 CBADRP C[NH+]1CCC(OCC(=O)NC[C@H](O)C[NH2+]CC2CC2)CC1 ZINC001401583375 902175738 /nfs/dbraw/zinc/17/57/38/902175738.db2.gz ZHNPJFSSZQXIFS-CYBMUJFWSA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001401591230 902179556 /nfs/dbraw/zinc/17/95/56/902179556.db2.gz NONXZXVAZYKAIA-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001401594901 902181772 /nfs/dbraw/zinc/18/17/72/902181772.db2.gz BXWIOLHZFAPSIR-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001401598036 902182607 /nfs/dbraw/zinc/18/26/07/902182607.db2.gz CNBZRMUBMQOHKS-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001401609653 902189407 /nfs/dbraw/zinc/18/94/07/902189407.db2.gz LFJANGKTVMSJKN-NWDGAFQWSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001401627007 902200645 /nfs/dbraw/zinc/20/06/45/902200645.db2.gz RFCOFBGAXMMBGW-LLVKDONJSA-N 2 0 296.415 -0.156 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NC ZINC001401626011 902201612 /nfs/dbraw/zinc/20/16/12/902201612.db2.gz DTHDQNMGRBZSII-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H]([NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001401641449 902204484 /nfs/dbraw/zinc/20/44/84/902204484.db2.gz WKJQFTCVUGHULY-MNOVXSKESA-N 2 0 284.404 -0.314 20 0 CBADRP CCn1nncc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401669449 902216950 /nfs/dbraw/zinc/21/69/50/902216950.db2.gz ODFJSHNGRCTCQI-VXGBXAGGSA-N 2 0 294.403 -0.156 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001401677380 902223670 /nfs/dbraw/zinc/22/36/70/902223670.db2.gz YLESDNXQLHITKI-JQWIXIFHSA-N 2 0 282.388 -0.547 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001401692783 902233747 /nfs/dbraw/zinc/23/37/47/902233747.db2.gz OBMSCUWPVSAFIL-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001401695787 902234284 /nfs/dbraw/zinc/23/42/84/902234284.db2.gz VYEXKXSFBQTKGJ-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001401700980 902236639 /nfs/dbraw/zinc/23/66/39/902236639.db2.gz VJRQEMFKOZXLAL-WDEREUQCSA-N 2 0 284.404 -0.443 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001401697670 902236686 /nfs/dbraw/zinc/23/66/86/902236686.db2.gz KRPJQPFQTLNMLS-CYDGBPFRSA-N 2 0 298.431 -0.055 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001401705340 902241181 /nfs/dbraw/zinc/24/11/81/902241181.db2.gz UOZSKJTYTAVAEX-WCQYABFASA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001401716148 902245181 /nfs/dbraw/zinc/24/51/81/902245181.db2.gz FCBNNAFNFYSYRV-GXTWGEPZSA-N 2 0 298.431 -0.101 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001401724199 902246466 /nfs/dbraw/zinc/24/64/66/902246466.db2.gz XIFATQLFKGMURN-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP C[C@@H](C[N@H+](C)[C@H]1CCN(C)C1=O)NC(=O)CCC[NH+](C)C ZINC001401783325 902271520 /nfs/dbraw/zinc/27/15/20/902271520.db2.gz LJGAOVZEYFWYKY-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001401860648 902293729 /nfs/dbraw/zinc/29/37/29/902293729.db2.gz GOXUSQJZTKXHHL-DGCLKSJQSA-N 2 0 281.400 -0.053 20 0 CBADRP CC[C@@H]([NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1)C(N)=O ZINC001401976251 902330882 /nfs/dbraw/zinc/33/08/82/902330882.db2.gz IGHSHBBOMPFFIO-LLVKDONJSA-N 2 0 294.399 -0.416 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001402060346 902347791 /nfs/dbraw/zinc/34/77/91/902347791.db2.gz PTGZHVVTHRYWGV-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001402086129 902350301 /nfs/dbraw/zinc/35/03/01/902350301.db2.gz ZTWCPFANHGCVOQ-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001402167493 902375487 /nfs/dbraw/zinc/37/54/87/902375487.db2.gz FMRFWVNAWNWFSM-CQSZACIVSA-N 2 0 284.404 -0.358 20 0 CBADRP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001402251438 902388411 /nfs/dbraw/zinc/38/84/11/902388411.db2.gz XFJFTZIFIDVCCL-CHWSQXEVSA-N 2 0 299.415 -0.426 20 0 CBADRP C[NH+](C)CCC(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001402242720 902390690 /nfs/dbraw/zinc/39/06/90/902390690.db2.gz DZJQEGWPYMMZMV-UHFFFAOYSA-N 2 0 273.377 -0.815 20 0 CBADRP COCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001402297888 902415335 /nfs/dbraw/zinc/41/53/35/902415335.db2.gz YBHXIOQCGKHMQC-TZMCWYRMSA-N 2 0 285.388 -0.720 20 0 CBADRP C[C@@H]([NH2+][C@H](CNC(=O)CC[NH+](C)C)C1CC1)C(=O)N(C)C ZINC001402345147 902428079 /nfs/dbraw/zinc/42/80/79/902428079.db2.gz MZTMTSJDHYLCPG-DGCLKSJQSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001402424696 902446081 /nfs/dbraw/zinc/44/60/81/902446081.db2.gz TUUQGQPVIGQUCC-STQMWFEESA-N 2 0 298.431 -0.290 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001402553065 902474821 /nfs/dbraw/zinc/47/48/21/902474821.db2.gz SMQODEUTUZOWGC-CYDGBPFRSA-N 2 0 296.415 -0.158 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)C(=O)N(C)C ZINC001402555564 902477629 /nfs/dbraw/zinc/47/76/29/902477629.db2.gz ZHMVXDSUQRGLBT-YVECIDJPSA-N 2 0 296.415 -0.348 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)CC2)CC1 ZINC001402622506 902494358 /nfs/dbraw/zinc/49/43/58/902494358.db2.gz LLVQQIPALPHZGO-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP CNC(=O)C[N@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001402657155 902499167 /nfs/dbraw/zinc/49/91/67/902499167.db2.gz NGBDQMRXFSIFBO-UHFFFAOYSA-N 2 0 296.415 -0.392 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001402713827 902507587 /nfs/dbraw/zinc/50/75/87/902507587.db2.gz HSBMRIVTWCZGSQ-VXGBXAGGSA-N 2 0 282.388 -0.748 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001402748852 902511278 /nfs/dbraw/zinc/51/12/78/902511278.db2.gz HAWYNZMVIPFHQI-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001402752839 902514928 /nfs/dbraw/zinc/51/49/28/902514928.db2.gz CSSICOTXQZSMNH-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001402760959 902515439 /nfs/dbraw/zinc/51/54/39/902515439.db2.gz QHJAMQDUKCKDSJ-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001402752550 902516455 /nfs/dbraw/zinc/51/64/55/902516455.db2.gz MWYYYIDRGHFNNN-FRRDWIJNSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001402822150 902528719 /nfs/dbraw/zinc/52/87/19/902528719.db2.gz KFYZGHGYCGLDGD-SRVKXCTJSA-N 2 0 286.420 -0.069 20 0 CBADRP Cc1ncoc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001402865700 902543233 /nfs/dbraw/zinc/54/32/33/902543233.db2.gz LHEPCRQLSXFFCY-MFKMUULPSA-N 2 0 296.371 -0.092 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001402892148 902552012 /nfs/dbraw/zinc/55/20/12/902552012.db2.gz OBXLRGFICOLGCS-FRRDWIJNSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001402888777 902552552 /nfs/dbraw/zinc/55/25/52/902552552.db2.gz OUQPJZISVWWMGK-NEPJUHHUSA-N 2 0 284.404 -0.301 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001402892149 902554066 /nfs/dbraw/zinc/55/40/66/902554066.db2.gz OBXLRGFICOLGCS-RWMBFGLXSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001403047623 902598240 /nfs/dbraw/zinc/59/82/40/902598240.db2.gz JYFMBHYITKWDNW-NWDGAFQWSA-N 2 0 286.420 -0.055 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001403057622 902602108 /nfs/dbraw/zinc/60/21/08/902602108.db2.gz CKLCOFNHRQQEBB-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC(=O)N(C)C ZINC001403067604 902605673 /nfs/dbraw/zinc/60/56/73/902605673.db2.gz OJIWEKIFCZQPDZ-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CCN1CCNC1=O ZINC001403069476 902605964 /nfs/dbraw/zinc/60/59/64/902605964.db2.gz XUFBLHFIYITZNI-NWDGAFQWSA-N 2 0 299.419 -0.554 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001403107101 902616595 /nfs/dbraw/zinc/61/65/95/902616595.db2.gz RXUIPCMPECKQNZ-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001403149939 902630773 /nfs/dbraw/zinc/63/07/73/902630773.db2.gz ZENRVVKEAIIXJI-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+][C@@H](C)C(N)=O ZINC001403154055 902632839 /nfs/dbraw/zinc/63/28/39/902632839.db2.gz AZLBQFUAZBXKGA-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP COC[C@@H](O)C[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001403182388 902640052 /nfs/dbraw/zinc/64/00/52/902640052.db2.gz LJVYHACRPJJPLZ-OLZOCXBDSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@H]1CCCNC1=O ZINC001403174196 902640698 /nfs/dbraw/zinc/64/06/98/902640698.db2.gz XQOKSFCELCTXGW-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@@H]1CCN(C)C1=O ZINC001403181565 902641081 /nfs/dbraw/zinc/64/10/81/902641081.db2.gz ACGGWYXYCNSCJR-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001403215281 902650044 /nfs/dbraw/zinc/65/00/44/902650044.db2.gz KLWZSFMXPYCZCE-NSHDSACASA-N 2 0 270.377 -0.737 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001403224572 902654237 /nfs/dbraw/zinc/65/42/37/902654237.db2.gz PAWOXRQYMKODFK-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001403446903 902692005 /nfs/dbraw/zinc/69/20/05/902692005.db2.gz QDUFBFWVIOLCFZ-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001403471028 902696136 /nfs/dbraw/zinc/69/61/36/902696136.db2.gz RUKGQNHHVGRHBQ-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC)[NH+](C)C ZINC001403558779 902734091 /nfs/dbraw/zinc/73/40/91/902734091.db2.gz AEGUAMCTGIZXNS-WDEREUQCSA-N 2 0 272.393 -0.491 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC(=O)N1CCCC1 ZINC001403580362 902739231 /nfs/dbraw/zinc/73/92/31/902739231.db2.gz FKRRDRQLKARDIE-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001403593133 902745366 /nfs/dbraw/zinc/74/53/66/902745366.db2.gz DGACPEILLHNRPX-GHMZBOCLSA-N 2 0 272.393 -0.362 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001403601988 902748030 /nfs/dbraw/zinc/74/80/30/902748030.db2.gz ONXUTTDBZOTGCX-GFCCVEGCSA-N 2 0 286.420 -0.101 20 0 CBADRP CC(C)[NH2+][C@@H](CO)CNC(=O)COC1CC[NH+](C)CC1 ZINC001403726355 902822865 /nfs/dbraw/zinc/82/28/65/902822865.db2.gz WUVKEQHDZUUMIK-GFCCVEGCSA-N 2 0 287.404 -0.428 20 0 CBADRP CN(CCNC(=O)C12CC[NH+](CC1)C2)CC(=O)N(C)C ZINC001403740298 902831381 /nfs/dbraw/zinc/83/13/81/902831381.db2.gz VJSGGBPTQUOZKK-UHFFFAOYSA-N 2 0 282.388 -0.782 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)C[C@H]1C ZINC001403751940 902837122 /nfs/dbraw/zinc/83/71/22/902837122.db2.gz NNBQQKMOHHFAIR-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001403764767 902844015 /nfs/dbraw/zinc/84/40/15/902844015.db2.gz YOPNCCOJMUAPIV-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001403808968 902858367 /nfs/dbraw/zinc/85/83/67/902858367.db2.gz QVJOAKSZXQINNS-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]CC(=O)NC)C(C)(C)C1)[NH+](C)C ZINC001403830737 902864374 /nfs/dbraw/zinc/86/43/74/902864374.db2.gz SPGQOGQEJRHZPU-VXGBXAGGSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[NH+](CCNC(=O)CC[N@@H+](C)CC)[C@@H]1CCN(C)C1=O ZINC001403927170 902909116 /nfs/dbraw/zinc/90/91/16/902909116.db2.gz NGRIFAQQPLUKCB-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CCN1CCO[C@H](C(=O)NCC[N@H+](CC)C[C@@H](C)O)C1 ZINC001403949906 902913306 /nfs/dbraw/zinc/91/33/06/902913306.db2.gz OMBYTDPTIFUDDQ-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H](C)C(N)=O ZINC001403940641 902914116 /nfs/dbraw/zinc/91/41/16/902914116.db2.gz PUFMXYIGQSOZRI-QWRGUYRKSA-N 2 0 270.377 -0.750 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCN1[C@@H]1CCNC1=O ZINC001404020398 902925210 /nfs/dbraw/zinc/92/52/10/902925210.db2.gz LHWICDWQMQGQEU-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+][C@@H](C)C(N)=O)C1 ZINC001404014116 902926120 /nfs/dbraw/zinc/92/61/20/902926120.db2.gz GLGPDOLRDSIEIS-UNXYVOJBSA-N 2 0 284.404 -0.219 20 0 CBADRP COC[C@@H](O)C[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001404025021 902926468 /nfs/dbraw/zinc/92/64/68/902926468.db2.gz WYIBLIUVMVOZDW-BPCQOVAHSA-N 2 0 287.404 -0.476 20 0 CBADRP CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001404317533 902970098 /nfs/dbraw/zinc/97/00/98/902970098.db2.gz IGXYUMGIGKOCDX-UTUOFQBUSA-N 2 0 284.404 -0.362 20 0 CBADRP CNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001404603934 903005566 /nfs/dbraw/zinc/00/55/66/903005566.db2.gz USOPSVRGDREKDX-LBPRGKRZSA-N 2 0 284.404 -0.536 20 0 CBADRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CC(N)=O ZINC001405248977 903131219 /nfs/dbraw/zinc/13/12/19/903131219.db2.gz IDLURTHCXVHEBE-SDDRHHMPSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@@H](C)C(=O)NC ZINC001405287900 903139348 /nfs/dbraw/zinc/13/93/48/903139348.db2.gz JMPZJICIZBFZME-WCQYABFASA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cnnn1C ZINC001405298591 903140830 /nfs/dbraw/zinc/14/08/30/903140830.db2.gz WCBNJMNKYMAUBV-NSHDSACASA-N 2 0 282.392 -0.249 20 0 CBADRP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC(=O)NC ZINC001405298328 903141941 /nfs/dbraw/zinc/14/19/41/903141941.db2.gz JETTZKGGCUQYTC-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CCO ZINC001405336396 903148577 /nfs/dbraw/zinc/14/85/77/903148577.db2.gz CNSWUTYHKZETHA-STQMWFEESA-N 2 0 287.404 -0.569 20 0 CBADRP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]CC(N)=O ZINC001405362309 903155480 /nfs/dbraw/zinc/15/54/80/903155480.db2.gz GFYXYYXTLRKWGE-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001405598331 903186659 /nfs/dbraw/zinc/18/66/59/903186659.db2.gz SNJJKGVJNIKQDN-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001405717566 903208329 /nfs/dbraw/zinc/20/83/29/903208329.db2.gz LFGBILWEXPMIAZ-NWDGAFQWSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(N)=O)CCCC2)CC[N@@H+]1C ZINC001405766406 903217778 /nfs/dbraw/zinc/21/77/78/903217778.db2.gz YELFPECYFYCJOM-VXGBXAGGSA-N 2 0 296.415 -0.170 20 0 CBADRP CC(C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(N)=O ZINC001406031248 903254699 /nfs/dbraw/zinc/25/46/99/903254699.db2.gz HBODKBXLDZAFBD-GFCCVEGCSA-N 2 0 284.404 -0.456 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001406063940 903258532 /nfs/dbraw/zinc/25/85/32/903258532.db2.gz GNBSXQRJEHIPBB-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP NC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001406192064 903289462 /nfs/dbraw/zinc/28/94/62/903289462.db2.gz NJRNQXDCUONQME-RYUDHWBXSA-N 2 0 294.399 -0.558 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001406192052 903290564 /nfs/dbraw/zinc/29/05/64/903290564.db2.gz NJRNQXDCUONQME-NEPJUHHUSA-N 2 0 294.399 -0.558 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccccn1)[NH+](C)C ZINC001406241311 903321903 /nfs/dbraw/zinc/32/19/03/903321903.db2.gz KSXXBGWOUPNONZ-UONOGXRCSA-N 2 0 294.399 -0.012 20 0 CBADRP C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001406274819 903337852 /nfs/dbraw/zinc/33/78/52/903337852.db2.gz WQBPKCDTOIJKFC-WCQYABFASA-N 2 0 287.404 -0.834 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001406274823 903339929 /nfs/dbraw/zinc/33/99/29/903339929.db2.gz WQBPKCDTOIJKFC-YPMHNXCESA-N 2 0 287.404 -0.834 20 0 CBADRP CC[C@H](F)C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001406293130 903344283 /nfs/dbraw/zinc/34/42/83/903344283.db2.gz ZGYIMIYVDFXILE-NWDGAFQWSA-N 2 0 287.379 -0.103 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)CC[NH+](C)C ZINC001406334855 903361225 /nfs/dbraw/zinc/36/12/25/903361225.db2.gz WAMCZIQKJFRTIS-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001406406459 903391088 /nfs/dbraw/zinc/39/10/88/903391088.db2.gz SWLBVEZOJQPDAM-MNOVXSKESA-N 2 0 272.393 -0.491 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001406398414 903391865 /nfs/dbraw/zinc/39/18/65/903391865.db2.gz GKFIHMXPSYQRJC-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001406424146 903400552 /nfs/dbraw/zinc/40/05/52/903400552.db2.gz UYSJIYSIXXUYKU-ZYHUDNBSSA-N 2 0 272.393 -0.587 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001406429501 903400737 /nfs/dbraw/zinc/40/07/37/903400737.db2.gz HVXPBSLKSVYJOT-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)C1([NH+](C)C)CCC1 ZINC001406486106 903414552 /nfs/dbraw/zinc/41/45/52/903414552.db2.gz YROMPOIEGMLBEJ-NSHDSACASA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@H](C[N@H+](C)CCN1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001406648831 903456914 /nfs/dbraw/zinc/45/69/14/903456914.db2.gz AZYAPKUAVFHCLN-GFCCVEGCSA-N 2 0 299.419 -0.600 20 0 CBADRP CN(C(=O)CC[NH+](C)C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001459269743 914719320 /nfs/dbraw/zinc/71/93/20/914719320.db2.gz MAEGNGLKSYNOJS-GFCCVEGCSA-N 2 0 296.415 -0.441 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001406780427 903480256 /nfs/dbraw/zinc/48/02/56/903480256.db2.gz PYSVDRDVIYTTFI-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001406852148 903494379 /nfs/dbraw/zinc/49/43/79/903494379.db2.gz GVNJQWOCHZKUCN-ZIAGYGMSSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001406872000 903497933 /nfs/dbraw/zinc/49/79/33/903497933.db2.gz GLQGENVJHLPROB-OLZOCXBDSA-N 2 0 299.415 -0.332 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001407000148 903524681 /nfs/dbraw/zinc/52/46/81/903524681.db2.gz PDJDJGHFNDNOSO-NEPJUHHUSA-N 2 0 298.431 -0.055 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CC(=O)NC3CC3)CC2)C1 ZINC001407015130 903524918 /nfs/dbraw/zinc/52/49/18/903524918.db2.gz SDRBIUFZKDLGCN-NSHDSACASA-N 2 0 294.399 -0.545 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001407113624 903545914 /nfs/dbraw/zinc/54/59/14/903545914.db2.gz WDIKCVHWEDKSOK-JSGCOSHPSA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001407111680 903546184 /nfs/dbraw/zinc/54/61/84/903546184.db2.gz SYUDUSZVPNITCJ-NSHDSACASA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001407347236 903573344 /nfs/dbraw/zinc/57/33/44/903573344.db2.gz MJTSHZVWWCUTQU-IUODEOHRSA-N 2 0 299.415 -0.596 20 0 CBADRP COCC[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001407365103 903581061 /nfs/dbraw/zinc/58/10/61/903581061.db2.gz NTVHUJJMCKVALU-ZDUSSCGKSA-N 2 0 273.377 -0.863 20 0 CBADRP CO[C@@H](C)C[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001407378661 903587677 /nfs/dbraw/zinc/58/76/77/903587677.db2.gz DLWHLSILLBJXFN-ZFWWWQNUSA-N 2 0 299.415 -0.330 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCCF)C1 ZINC001407387566 903591602 /nfs/dbraw/zinc/59/16/02/903591602.db2.gz UUHIBLYMONARBO-OCCSQVGLSA-N 2 0 287.379 -0.007 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001407791902 903660340 /nfs/dbraw/zinc/66/03/40/903660340.db2.gz JVNULHWIKDLWHD-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH+](C)CC(N)=O)CC[N@@H+]1C ZINC001407927502 903680169 /nfs/dbraw/zinc/68/01/69/903680169.db2.gz RPYSYRCFKJABDN-STQMWFEESA-N 2 0 298.431 -0.018 20 0 CBADRP CC[N@H+](C)CCC(=O)NC1(CO)CC[NH+](CCO)CC1 ZINC001408278549 903741672 /nfs/dbraw/zinc/74/16/72/903741672.db2.gz IVEHUHGLIGYDDT-UHFFFAOYSA-N 2 0 287.404 -0.736 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001408574065 903791269 /nfs/dbraw/zinc/79/12/69/903791269.db2.gz BZOYJVYYFGKFSG-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)[NH2+]CC(N)=O ZINC001409443710 903903174 /nfs/dbraw/zinc/90/31/74/903903174.db2.gz CIDZESMWXFANJT-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H]([NH2+]CC(=O)N1CCC1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001409457495 903904937 /nfs/dbraw/zinc/90/49/37/903904937.db2.gz HUVLFRKRSJRWNY-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CCn1cncn1 ZINC001409535809 903921378 /nfs/dbraw/zinc/92/13/78/903921378.db2.gz ZQBGWNUEVLRTQI-CHWSQXEVSA-N 2 0 294.403 -0.191 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CCn1cncn1 ZINC001409618141 903943470 /nfs/dbraw/zinc/94/34/70/903943470.db2.gz BVLNUUOTMVYYTK-GFCCVEGCSA-N 2 0 282.392 -0.334 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001410209397 904044908 /nfs/dbraw/zinc/04/49/08/904044908.db2.gz QGNHXDMQIGPXJK-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC001410526836 904112625 /nfs/dbraw/zinc/11/26/25/904112625.db2.gz XUOYZWSQLFPNFI-MNOVXSKESA-N 2 0 272.393 -0.363 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001410618082 904143114 /nfs/dbraw/zinc/14/31/14/904143114.db2.gz GVRCFPINJQMITA-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@H](CO)[NH2+]C[C@H]2CCOC2)CCC1 ZINC001410652227 904150928 /nfs/dbraw/zinc/15/09/28/904150928.db2.gz JDLVKZHITVPNQZ-CHWSQXEVSA-N 2 0 299.415 -0.426 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCO)C1 ZINC001410718838 904170739 /nfs/dbraw/zinc/17/07/39/904170739.db2.gz BVCHELNAUKYPRJ-OLZOCXBDSA-N 2 0 287.404 -0.833 20 0 CBADRP CC[C@@H](F)C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001410780300 904183623 /nfs/dbraw/zinc/18/36/23/904183623.db2.gz DJXLFGHSZUAZFZ-VXGBXAGGSA-N 2 0 275.368 -0.103 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)CN1C(=O)Cc1cnc[nH]1 ZINC001410839467 904193589 /nfs/dbraw/zinc/19/35/89/904193589.db2.gz ACWZXESRWOVIRJ-JQWIXIFHSA-N 2 0 293.371 -0.381 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001410888178 904199864 /nfs/dbraw/zinc/19/98/64/904199864.db2.gz RMMAYQWATAAMRE-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C)CC[N@@H+]1C ZINC001411217474 904260854 /nfs/dbraw/zinc/26/08/54/904260854.db2.gz ZTNWYDCZNJWPSL-IJLUTSLNSA-N 2 0 298.431 -0.068 20 0 CBADRP CNC(=O)C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001411254432 904272667 /nfs/dbraw/zinc/27/26/67/904272667.db2.gz YRRQPZWUBQYHEH-UHFFFAOYSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@H](CC[NH+](C)C)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC001411619904 904326532 /nfs/dbraw/zinc/32/65/32/904326532.db2.gz VLNZNKGEJNTVCC-CYBMUJFWSA-N 2 0 298.431 -0.193 20 0 CBADRP C[C@@H](CC[NH+](C)C)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC001411619927 904326797 /nfs/dbraw/zinc/32/67/97/904326797.db2.gz VLNZNKGEJNTVCC-ZDUSSCGKSA-N 2 0 298.431 -0.193 20 0 CBADRP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC001412835604 904749662 /nfs/dbraw/zinc/74/96/62/904749662.db2.gz FLVABWHUHQMBTM-UKRRQHHQSA-N 2 0 298.431 -0.805 20 0 CBADRP C[NH+](C)CCC(=O)N1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001414521918 905437709 /nfs/dbraw/zinc/43/77/09/905437709.db2.gz OBYZUEZJURLPDA-UHFFFAOYSA-N 2 0 284.404 -0.439 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)CNC(=O)CC[NH+](C)C)[NH+](C)C ZINC001415259144 905595191 /nfs/dbraw/zinc/59/51/91/905595191.db2.gz VKANGTCKJRCKIM-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001415336466 905600667 /nfs/dbraw/zinc/60/06/67/905600667.db2.gz QYZMXMNOEDGOHA-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)CCC1 ZINC001417766124 906040867 /nfs/dbraw/zinc/04/08/67/906040867.db2.gz YMNDDSUTDSPZGP-PHIMTYICSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001417767211 906045141 /nfs/dbraw/zinc/04/51/41/906045141.db2.gz BXKGFYKIPVRNHZ-BETUJISGSA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001417775940 906048759 /nfs/dbraw/zinc/04/87/59/906048759.db2.gz VUGFYXZALYENKP-TXEJJXNPSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC)C1)[NH+](C)C ZINC001417788584 906051552 /nfs/dbraw/zinc/05/15/52/906051552.db2.gz XJXBLMVFJSNEPA-FDYHWXHSSA-N 2 0 298.431 -0.055 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CC(N)=O)C1 ZINC001417814932 906057851 /nfs/dbraw/zinc/05/78/51/906057851.db2.gz QCQQKQFYLMMRQB-AGIUHOORSA-N 2 0 296.415 -0.360 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001417801797 906059663 /nfs/dbraw/zinc/05/96/63/906059663.db2.gz MYZXMVODZXHSHG-FVCCEPFGSA-N 2 0 296.415 -0.443 20 0 CBADRP C[C@H](O)C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001418010437 906134902 /nfs/dbraw/zinc/13/49/02/906134902.db2.gz PXACZNWWZYOOFK-AAEUAGOBSA-N 2 0 281.400 -0.053 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001418046025 906143821 /nfs/dbraw/zinc/14/38/21/906143821.db2.gz RBFQWTWXCCDJTA-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001418045025 906145595 /nfs/dbraw/zinc/14/55/95/906145595.db2.gz VDXDTRNKLDLZOE-AVGNSLFASA-N 2 0 296.415 -0.347 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC)C1 ZINC001418043562 906145763 /nfs/dbraw/zinc/14/57/63/906145763.db2.gz BGHVNEDIHGHZCO-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001418074566 906159511 /nfs/dbraw/zinc/15/95/11/906159511.db2.gz COKRSGOSKGPGSR-AAVRWANBSA-N 2 0 299.415 -0.428 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001418090371 906166293 /nfs/dbraw/zinc/16/62/93/906166293.db2.gz XHNUSVMJLVKEHP-TUAOUCFPSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001418106128 906172233 /nfs/dbraw/zinc/17/22/33/906172233.db2.gz CAISJCASCPUJDK-TXEJJXNPSA-N 2 0 294.403 -0.106 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001418208943 906207754 /nfs/dbraw/zinc/20/77/54/906207754.db2.gz DZPSVUHUSRWVBL-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001418241452 906237308 /nfs/dbraw/zinc/23/73/08/906237308.db2.gz DMMXTXHYIVJELF-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001418267815 906246738 /nfs/dbraw/zinc/24/67/38/906246738.db2.gz SXKJEXFBGRMDBJ-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)NC1CC1 ZINC001418264424 906248324 /nfs/dbraw/zinc/24/83/24/906248324.db2.gz CIARNDMINUDUJT-SNVBAGLBSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H]1CCCN(C)C1=O ZINC001418264646 906248364 /nfs/dbraw/zinc/24/83/64/906248364.db2.gz CVFAPYPFZAKBMH-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+][C@H]1CCNC1=O ZINC001418272456 906252676 /nfs/dbraw/zinc/25/26/76/906252676.db2.gz CFSJXMZHMHVDPF-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001418418494 906316595 /nfs/dbraw/zinc/31/65/95/906316595.db2.gz FOCYALPYBMCYHD-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](C(N)=O)N(C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001418471965 906350766 /nfs/dbraw/zinc/35/07/66/906350766.db2.gz XEJZOYBURRURAH-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CCN1CCNC1=O ZINC001418529087 906391165 /nfs/dbraw/zinc/39/11/65/906391165.db2.gz YHVXAFXGRDUDED-UHFFFAOYSA-N 2 0 299.419 -0.600 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C[C@@H](O)COC ZINC001418538482 906401023 /nfs/dbraw/zinc/40/10/23/906401023.db2.gz DPXURAFTLZUJQH-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001418640919 906432357 /nfs/dbraw/zinc/43/23/57/906432357.db2.gz SHYAAMOEGBWUIP-RWMBFGLXSA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001418677432 906446051 /nfs/dbraw/zinc/44/60/51/906446051.db2.gz VNXGBSODPYPXKO-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001418681807 906446505 /nfs/dbraw/zinc/44/65/05/906446505.db2.gz GZYZHTDQPLUXKB-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001418814234 906483873 /nfs/dbraw/zinc/48/38/73/906483873.db2.gz XPVYNRMCGWUFHM-NSHDSACASA-N 2 0 282.388 -0.593 20 0 CBADRP CN(CCN1CC[NH+](CCO)CC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001418916630 906513864 /nfs/dbraw/zinc/51/38/64/906513864.db2.gz LQNOIENLAIGHES-CQSZACIVSA-N 2 0 298.431 -0.851 20 0 CBADRP CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001418943854 906523949 /nfs/dbraw/zinc/52/39/49/906523949.db2.gz HKQNBHSJXPCIMG-IACUBPJLSA-N 2 0 298.431 -0.291 20 0 CBADRP COC[C@@H](O)C[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001419022728 906566109 /nfs/dbraw/zinc/56/61/09/906566109.db2.gz NBCCIYHZJHUFHL-ZDUSSCGKSA-N 2 0 299.415 -0.474 20 0 CBADRP Cn1cc(CC[NH+]2CC(CNC(=O)CC[NH+](C)C)C2)cn1 ZINC001419034772 906570073 /nfs/dbraw/zinc/57/00/73/906570073.db2.gz YQJYHYZAQKEODI-UHFFFAOYSA-N 2 0 293.415 -0.038 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001419093416 906598601 /nfs/dbraw/zinc/59/86/01/906598601.db2.gz DMTMZXCVQBURBZ-QWHCGFSZSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H]1CCNC1=O ZINC001419190778 906634759 /nfs/dbraw/zinc/63/47/59/906634759.db2.gz FMFFRXXYBHWZNG-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(=O)N(C)C ZINC001419367388 906670749 /nfs/dbraw/zinc/67/07/49/906670749.db2.gz RPCFZCYUZVLNAX-RWMBFGLXSA-N 2 0 296.415 -0.252 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001419387426 906673545 /nfs/dbraw/zinc/67/35/45/906673545.db2.gz UBCCBMUEGPVZGZ-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001419421695 906682995 /nfs/dbraw/zinc/68/29/95/906682995.db2.gz DBDBJBLRZRCGFK-IJLUTSLNSA-N 2 0 294.399 -0.547 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC2(CC[N@H+](CC(N)=O)C2)CC1 ZINC001419431928 906686529 /nfs/dbraw/zinc/68/65/29/906686529.db2.gz DYIRCMGKSBKMSA-UHFFFAOYSA-N 2 0 296.415 -0.262 20 0 CBADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)C[NH2+][C@@H](C)C(N)=O ZINC001419465071 906694156 /nfs/dbraw/zinc/69/41/56/906694156.db2.gz DDYZTOGIXOMTFM-QWRGUYRKSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1)C(N)=O ZINC001419625865 906741666 /nfs/dbraw/zinc/74/16/66/906741666.db2.gz QLOAWRDTACBODW-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001419667102 906760481 /nfs/dbraw/zinc/76/04/81/906760481.db2.gz MPRLLIWURBWNLJ-GFCCVEGCSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC)[NH+](C)C ZINC001419679938 906764536 /nfs/dbraw/zinc/76/45/36/906764536.db2.gz IRTAIMLNGSZIIM-WDEREUQCSA-N 2 0 272.393 -0.491 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001419700472 906772345 /nfs/dbraw/zinc/77/23/45/906772345.db2.gz AEOVNALRTXOWME-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCCN(C)C1=O)N(C)C(=O)CC[NH+](C)C ZINC001419702683 906774233 /nfs/dbraw/zinc/77/42/33/906774233.db2.gz CHUOWFCKMUMBCN-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001419714311 906777777 /nfs/dbraw/zinc/77/77/77/906777777.db2.gz SFTFJXUURYAVHA-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cnnn1C ZINC001419717126 906783953 /nfs/dbraw/zinc/78/39/53/906783953.db2.gz VZJSNKNKLZSDRT-PWSUYJOCSA-N 2 0 280.376 -0.496 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@H]1CCc2ncnn21 ZINC001419843202 906830575 /nfs/dbraw/zinc/83/05/75/906830575.db2.gz SHSIWCWXEZZBAQ-NWDGAFQWSA-N 2 0 294.403 -0.189 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001419848594 906830933 /nfs/dbraw/zinc/83/09/33/906830933.db2.gz JQIGSPMCXPRKIY-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001419848575 906833382 /nfs/dbraw/zinc/83/33/82/906833382.db2.gz JQIGSPMCXPRKIY-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+][C@@H](C)C(N)=O ZINC001419857479 906835677 /nfs/dbraw/zinc/83/56/77/906835677.db2.gz YFQGBSAVIMMOSC-MNOVXSKESA-N 2 0 286.420 -0.068 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NC ZINC001419928676 906860901 /nfs/dbraw/zinc/86/09/01/906860901.db2.gz AGAXGJBNXYMRFV-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCN1CCCC1=O ZINC001419928994 906863563 /nfs/dbraw/zinc/86/35/63/906863563.db2.gz VDSHBXGHKQZAJR-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001419943358 906865098 /nfs/dbraw/zinc/86/50/98/906865098.db2.gz YXEBOWAWNWRNFF-NSHDSACASA-N 2 0 272.393 -0.443 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001419967726 906882479 /nfs/dbraw/zinc/88/24/79/906882479.db2.gz FIPNLHUPYKBUAW-LBPRGKRZSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001419991775 906888913 /nfs/dbraw/zinc/88/89/13/906888913.db2.gz LFVCSGJAGFNVJD-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001420016898 906899169 /nfs/dbraw/zinc/89/91/69/906899169.db2.gz IJQIJCLYZADNPX-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001420085384 906922213 /nfs/dbraw/zinc/92/22/13/906922213.db2.gz NRFCAADQLRMFEB-STQMWFEESA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC(N)=O)CC1 ZINC001420112856 906947354 /nfs/dbraw/zinc/94/73/54/906947354.db2.gz IFGKBDHSWSPOTR-VXGBXAGGSA-N 2 0 296.415 -0.312 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccns2)C1 ZINC001420187520 907000035 /nfs/dbraw/zinc/00/00/35/907000035.db2.gz FQUXOWIMQRZTHO-MNOVXSKESA-N 2 0 298.412 -0.339 20 0 CBADRP CC[C@H](F)C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001420189359 907001273 /nfs/dbraw/zinc/00/12/73/907001273.db2.gz JAOSDYGOMFGBCH-RYUDHWBXSA-N 2 0 275.368 -0.103 20 0 CBADRP COC[C@H](O)C[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001420219258 907028250 /nfs/dbraw/zinc/02/82/50/907028250.db2.gz VSBOLCNBCVUYGV-ZIAGYGMSSA-N 2 0 299.415 -0.617 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001420245707 907043476 /nfs/dbraw/zinc/04/34/76/907043476.db2.gz YEGDGKMSKMLYIT-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[NH2+]C[C@H](O)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001420268449 907057046 /nfs/dbraw/zinc/05/70/46/907057046.db2.gz OUDCVZOITPDDAK-LBPRGKRZSA-N 2 0 289.339 -0.033 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001420321686 907096089 /nfs/dbraw/zinc/09/60/89/907096089.db2.gz OFNWBZAMBSWSIC-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)CCC[NH+](C)C ZINC001420333913 907110369 /nfs/dbraw/zinc/11/03/69/907110369.db2.gz JTNKPADETBPPRZ-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001420365269 907124958 /nfs/dbraw/zinc/12/49/58/907124958.db2.gz JDBIOKJVGFOLOC-JHJVBQTASA-N 2 0 287.404 -0.570 20 0 CBADRP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001420433137 907160491 /nfs/dbraw/zinc/16/04/91/907160491.db2.gz CRFPFJIIZZTQNG-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001420433140 907161142 /nfs/dbraw/zinc/16/11/42/907161142.db2.gz CRFPFJIIZZTQNG-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CCC[NH+](C)C ZINC001420457990 907169421 /nfs/dbraw/zinc/16/94/21/907169421.db2.gz PODCIIQNNUILJP-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001420458086 907169997 /nfs/dbraw/zinc/16/99/97/907169997.db2.gz LWOPLDRVHWUIAU-WCQYABFASA-N 2 0 296.415 -0.299 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420458512 907170478 /nfs/dbraw/zinc/17/04/78/907170478.db2.gz QMFURWQETAAVDB-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001420463527 907175850 /nfs/dbraw/zinc/17/58/50/907175850.db2.gz RCVKHOYDSHSKPI-QJPTWQEYSA-N 2 0 286.420 -0.199 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420509684 907186007 /nfs/dbraw/zinc/18/60/07/907186007.db2.gz FLNDBURUDKBBPC-NWDGAFQWSA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001420520901 907194055 /nfs/dbraw/zinc/19/40/55/907194055.db2.gz XCQXLYHNLBOLAA-RYUDHWBXSA-N 2 0 284.404 -0.301 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001420533440 907196727 /nfs/dbraw/zinc/19/67/27/907196727.db2.gz FFLVCJVSEZFFRQ-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001420535071 907197312 /nfs/dbraw/zinc/19/73/12/907197312.db2.gz DWUBUDKPXCEWDI-NWDGAFQWSA-N 2 0 282.388 -0.748 20 0 CBADRP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001420543200 907202698 /nfs/dbraw/zinc/20/26/98/907202698.db2.gz XKAYMFGAIDYTKV-NSHDSACASA-N 2 0 270.377 -0.748 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001420537467 907205414 /nfs/dbraw/zinc/20/54/14/907205414.db2.gz NBECXNFZYCJEBL-QWHCGFSZSA-N 2 0 287.404 -0.617 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1CC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001420555148 907207505 /nfs/dbraw/zinc/20/75/05/907207505.db2.gz HAMKWKWIKSMPHY-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001420561661 907212311 /nfs/dbraw/zinc/21/23/11/907212311.db2.gz OFNBEHYZGVZJAE-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H](C[N@H+](C)CCn1cncn1)NC(=O)CC[NH+](C)C ZINC001420615813 907240904 /nfs/dbraw/zinc/24/09/04/907240904.db2.gz IZFGKWMSMLQWOT-GFCCVEGCSA-N 2 0 282.392 -0.334 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCCNC1=O)[NH+](C)C ZINC001420731201 907285760 /nfs/dbraw/zinc/28/57/60/907285760.db2.gz BXOYWAHXEJGMDE-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001420887136 907337962 /nfs/dbraw/zinc/33/79/62/907337962.db2.gz LUAJTDSYNIXFRH-LBPRGKRZSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001420947613 907373123 /nfs/dbraw/zinc/37/31/23/907373123.db2.gz PSEHCUXDEBTQFG-RYUDHWBXSA-N 2 0 284.404 -0.408 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]CCO)CCC1 ZINC001502014649 921318975 /nfs/dbraw/zinc/31/89/75/921318975.db2.gz GHKFXNBXNWRFJS-UHFFFAOYSA-N 2 0 257.378 -0.051 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC1([NH2+]CCO)CCC1 ZINC001502025874 921319277 /nfs/dbraw/zinc/31/92/77/921319277.db2.gz HJUKNLJXDVOEIB-UHFFFAOYSA-N 2 0 255.362 -0.297 20 0 CBADRP CC[C@@H](C(=O)NCC1([NH2+]CCn2cncn2)CC1)[NH+](C)C ZINC001420994837 907388414 /nfs/dbraw/zinc/38/84/14/907388414.db2.gz LNAFNJFPGNJJKT-LBPRGKRZSA-N 2 0 294.403 -0.143 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CC[NH+](C)C ZINC001421097221 907424879 /nfs/dbraw/zinc/42/48/79/907424879.db2.gz AULSLDYFWCVUFO-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001421252425 907476113 /nfs/dbraw/zinc/47/61/13/907476113.db2.gz RFNKXLZHFQGRIV-HNNXBMFYSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)C(=O)NC ZINC001421439165 907548788 /nfs/dbraw/zinc/54/87/88/907548788.db2.gz DRLHHJWHWMALKE-MNOVXSKESA-N 2 0 272.393 -0.443 20 0 CBADRP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001502074492 921333549 /nfs/dbraw/zinc/33/35/49/921333549.db2.gz INPYBONLZUGQKN-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001421483269 907563063 /nfs/dbraw/zinc/56/30/63/907563063.db2.gz AHJJQHNLRVXVKE-NEPJUHHUSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)CCC(=O)NC1(C[NH2+][C@@H]2CCNC2=O)CCCC1 ZINC001421513156 907571252 /nfs/dbraw/zinc/57/12/52/907571252.db2.gz QOCRHQHENQYMDO-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC(=O)NC)C1 ZINC001421531714 907576540 /nfs/dbraw/zinc/57/65/40/907576540.db2.gz XKTYJLOBQWOIJK-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001421626451 907595217 /nfs/dbraw/zinc/59/52/17/907595217.db2.gz QVOPIWCADPCGJX-OCCSQVGLSA-N 2 0 287.404 -0.738 20 0 CBADRP C[C@H](O)C[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001421626446 907596216 /nfs/dbraw/zinc/59/62/16/907596216.db2.gz QVOPIWCADPCGJX-JSGCOSHPSA-N 2 0 287.404 -0.738 20 0 CBADRP C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001421659545 907603429 /nfs/dbraw/zinc/60/34/29/907603429.db2.gz SLPYUARCSZHKME-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001421708149 907621043 /nfs/dbraw/zinc/62/10/43/907621043.db2.gz RVGLLLPVGOGVES-JHJVBQTASA-N 2 0 296.415 -0.075 20 0 CBADRP CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001421722179 907626244 /nfs/dbraw/zinc/62/62/44/907626244.db2.gz QTBOPGAUQBBMMJ-DGCLKSJQSA-N 2 0 296.419 -0.003 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001421751062 907633404 /nfs/dbraw/zinc/63/34/04/907633404.db2.gz VYGGZMAWAOZGIW-NWDGAFQWSA-N 2 0 298.431 -0.195 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001421915162 907676726 /nfs/dbraw/zinc/67/67/26/907676726.db2.gz VWICLBLZWACQQH-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC)[NH+](C)C ZINC001421940642 907685634 /nfs/dbraw/zinc/68/56/34/907685634.db2.gz IRTAIMLNGSZIIM-MNOVXSKESA-N 2 0 272.393 -0.491 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001421945187 907688145 /nfs/dbraw/zinc/68/81/45/907688145.db2.gz ZOGRZWTZEUESHE-VXGBXAGGSA-N 2 0 298.431 -0.101 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001421979945 907694466 /nfs/dbraw/zinc/69/44/66/907694466.db2.gz HUSDLSNKUJAHRM-GFCCVEGCSA-N 2 0 286.420 -0.101 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001421992750 907697905 /nfs/dbraw/zinc/69/79/05/907697905.db2.gz PRUFCXUCQJOOBD-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001421989660 907697945 /nfs/dbraw/zinc/69/79/45/907697945.db2.gz MESHZSYHLMAUSJ-WDEREUQCSA-N 2 0 270.377 -0.879 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001421989654 907699793 /nfs/dbraw/zinc/69/97/93/907699793.db2.gz MESHZSYHLMAUSJ-QWRGUYRKSA-N 2 0 270.377 -0.879 20 0 CBADRP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001422019754 907701231 /nfs/dbraw/zinc/70/12/31/907701231.db2.gz QRYXWTDIEPSFBU-RYUDHWBXSA-N 2 0 284.404 -0.456 20 0 CBADRP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001422019753 907701972 /nfs/dbraw/zinc/70/19/72/907701972.db2.gz QRYXWTDIEPSFBU-NWDGAFQWSA-N 2 0 284.404 -0.456 20 0 CBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCn1cncn1 ZINC001422066573 907708753 /nfs/dbraw/zinc/70/87/53/907708753.db2.gz RUVDODGGLBJWLJ-QWHCGFSZSA-N 2 0 294.403 -0.334 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]([NH2+][C@@H]1CCNC1=O)C(C)C ZINC001422128097 907720021 /nfs/dbraw/zinc/72/00/21/907720021.db2.gz BQPLCDQUPFHNJK-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP COC[C@H](C)[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001422345070 907812107 /nfs/dbraw/zinc/81/21/07/907812107.db2.gz IVWZHLYEONPDQF-AAEUAGOBSA-N 2 0 287.404 -0.570 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001422390309 907839887 /nfs/dbraw/zinc/83/98/87/907839887.db2.gz QYIWUZNDRGELRG-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001422449179 907861276 /nfs/dbraw/zinc/86/12/76/907861276.db2.gz JQLCFNCCTGVAJN-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001422504215 907897179 /nfs/dbraw/zinc/89/71/79/907897179.db2.gz GGAAAMLQIXVMBT-YPMHNXCESA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@H]([NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001422534066 907909315 /nfs/dbraw/zinc/90/93/15/907909315.db2.gz CXXYPNJEQKVVQE-OUAUKWLOSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(=O)NC1CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001422536515 907912453 /nfs/dbraw/zinc/91/24/53/907912453.db2.gz UPQLFUJWIWRAQN-NTZNESFSSA-N 2 0 296.415 -0.158 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC)C1 ZINC001422543892 907915869 /nfs/dbraw/zinc/91/58/69/907915869.db2.gz MDODZLYIABPXAZ-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)CC[NH+](C)C ZINC001422552597 907918378 /nfs/dbraw/zinc/91/83/78/907918378.db2.gz MXLSICRUBXUYGV-SNVBAGLBSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[N@H+](C)CCO ZINC001422603949 907941763 /nfs/dbraw/zinc/94/17/63/907941763.db2.gz QRAHBHXOSZVZNP-QWHCGFSZSA-N 2 0 287.404 -0.617 20 0 CBADRP CC(C)CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422616479 907945677 /nfs/dbraw/zinc/94/56/77/907945677.db2.gz OVGGQJSAIZZPCN-CHWSQXEVSA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)CCC[NH+](C)C ZINC001422707449 907978641 /nfs/dbraw/zinc/97/86/41/907978641.db2.gz OIJWAKRWCOAKHV-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001422729144 907989404 /nfs/dbraw/zinc/98/94/04/907989404.db2.gz HAUHQBFPWWVWTN-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP C[C@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001422820175 908020963 /nfs/dbraw/zinc/02/09/63/908020963.db2.gz GMCGNOKTNGAFQI-LPWJVIDDSA-N 2 0 296.415 -0.504 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001422889947 908047582 /nfs/dbraw/zinc/04/75/82/908047582.db2.gz KYXUTOSLOJWWES-XDQVBPFNSA-N 2 0 299.415 -0.428 20 0 CBADRP CC(C)(C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001422898660 908054575 /nfs/dbraw/zinc/05/45/75/908054575.db2.gz MGXAIBLOEXAFJG-HAQNSBGRSA-N 2 0 296.415 -0.170 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001422916403 908059933 /nfs/dbraw/zinc/05/99/33/908059933.db2.gz VXQJPXNHEBZPNC-JHJVBQTASA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001422986886 908069940 /nfs/dbraw/zinc/06/99/40/908069940.db2.gz MSSXIEJFRFRPMJ-QWHCGFSZSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001423039960 908085790 /nfs/dbraw/zinc/08/57/90/908085790.db2.gz GXJWDXCSKRTQHL-OLZOCXBDSA-N 2 0 296.415 -0.299 20 0 CBADRP NC(=O)C[NH2+]C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001423062137 908093399 /nfs/dbraw/zinc/09/33/99/908093399.db2.gz PKLICZIMBYJZHX-CYBMUJFWSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCCNC1=O ZINC001423168483 908125769 /nfs/dbraw/zinc/12/57/69/908125769.db2.gz OUFWDCCIMCUKRJ-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001423167500 908125881 /nfs/dbraw/zinc/12/58/81/908125881.db2.gz NIBDOZKTEAZAQR-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CCCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001423250576 908176591 /nfs/dbraw/zinc/17/65/91/908176591.db2.gz GKWKIWRTVKCABN-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001502738474 921386654 /nfs/dbraw/zinc/38/66/54/921386654.db2.gz PALGFESRVLCHNK-WCQYABFASA-N 2 0 296.415 -0.489 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001423305341 908199051 /nfs/dbraw/zinc/19/90/51/908199051.db2.gz FFNCNZGVJABXIY-UHFFFAOYSA-N 2 0 296.415 -0.153 20 0 CBADRP C[C@@H]1[C@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001423332090 908205156 /nfs/dbraw/zinc/20/51/56/908205156.db2.gz VLCYVGCAJFYOQD-DGCLKSJQSA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001423332077 908208531 /nfs/dbraw/zinc/20/85/31/908208531.db2.gz VKOACPGFGAKGGJ-MNOVXSKESA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CCC[NH+](C)C ZINC001423348600 908209523 /nfs/dbraw/zinc/20/95/23/908209523.db2.gz JOMJERBJLRFTEJ-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CCC[NH+](C)C ZINC001423348603 908210162 /nfs/dbraw/zinc/21/01/62/908210162.db2.gz JOMJERBJLRFTEJ-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001423451822 908242571 /nfs/dbraw/zinc/24/25/71/908242571.db2.gz MUSKXEBSGXHUNM-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001423472615 908248023 /nfs/dbraw/zinc/24/80/23/908248023.db2.gz CVRSSWJVLTVLAC-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(C[C@H](O)C[NH2+]Cc1ccccn1)C(=O)CC[NH+](C)C ZINC001423464047 908248361 /nfs/dbraw/zinc/24/83/61/908248361.db2.gz DTVUKDDNHDIKTI-CQSZACIVSA-N 2 0 294.399 -0.058 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001423614782 908296239 /nfs/dbraw/zinc/29/62/39/908296239.db2.gz TUOXCQNJQKEUMT-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001423614776 908296419 /nfs/dbraw/zinc/29/64/19/908296419.db2.gz TUOXCQNJQKEUMT-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001424218051 908427646 /nfs/dbraw/zinc/42/76/46/908427646.db2.gz QJFJXUHMSBMRHB-OLZOCXBDSA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001424231327 908430207 /nfs/dbraw/zinc/43/02/07/908430207.db2.gz QUSCGVDIJXAUKR-VXGBXAGGSA-N 2 0 273.377 -0.864 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001424330469 908443936 /nfs/dbraw/zinc/44/39/36/908443936.db2.gz GCZCHMUCTHLQLT-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+](C)CCC(=O)N1CCOC2(CC[NH+](CCO)CC2)C1 ZINC001503712536 921410893 /nfs/dbraw/zinc/41/08/93/921410893.db2.gz YSMSTTDFEITSTF-UHFFFAOYSA-N 2 0 299.415 -0.376 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@](CO)([NH2+]CCO)C2)C1 ZINC001424408306 908454402 /nfs/dbraw/zinc/45/44/02/908454402.db2.gz IRGSZQSKGHOMLF-HIFRSBDPSA-N 2 0 299.415 -0.736 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001424480576 908462634 /nfs/dbraw/zinc/46/26/34/908462634.db2.gz NMCGXKSSYDDYQN-NWDGAFQWSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001424596676 908477316 /nfs/dbraw/zinc/47/73/16/908477316.db2.gz JYTCJMBGMMVSBJ-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@H]([NH2+]CC1CC(NC(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC001424722331 908494004 /nfs/dbraw/zinc/49/40/04/908494004.db2.gz AABFXNVGOCCRHD-UNXYVOJBSA-N 2 0 296.415 -0.171 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001424793190 908509474 /nfs/dbraw/zinc/50/94/74/908509474.db2.gz SLVOERWMPVKCGI-NEPJUHHUSA-N 2 0 296.415 -0.156 20 0 CBADRP COCC[NH+]1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001505387923 921417900 /nfs/dbraw/zinc/41/79/00/921417900.db2.gz ZDMSESFKKJWQIT-UHFFFAOYSA-N 2 0 287.404 -0.472 20 0 CBADRP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)NC(=O)CC[NH+](C)C ZINC001425170356 908579193 /nfs/dbraw/zinc/57/91/93/908579193.db2.gz WWAIVSIAOVFNQE-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001425341469 908622739 /nfs/dbraw/zinc/62/27/39/908622739.db2.gz COWSDQASZYLFPK-CNDDSTCGSA-N 2 0 282.388 -0.893 20 0 CBADRP CN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001425421395 908643572 /nfs/dbraw/zinc/64/35/72/908643572.db2.gz VVSCWPQFJINEMG-AVGNSLFASA-N 2 0 296.415 -0.347 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001425683374 908688458 /nfs/dbraw/zinc/68/84/58/908688458.db2.gz NPCDEEFGSYIZGF-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001425681597 908689991 /nfs/dbraw/zinc/68/99/91/908689991.db2.gz NEPSVPJIPCKYAQ-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP O=C(NC1CC(C[NH2+]CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001505497996 921431805 /nfs/dbraw/zinc/43/18/05/921431805.db2.gz XYAYEOWWUBQKCB-UXUKBGGZSA-N 2 0 281.400 -0.195 20 0 CBADRP O=C(C[NH+]1CCCC1)NC1CC(C[NH2+]CCO)C1 ZINC001505535907 921435878 /nfs/dbraw/zinc/43/58/78/921435878.db2.gz DVXNVQWRIPXSFA-UHFFFAOYSA-N 2 0 255.362 -0.441 20 0 CBADRP C[C@@H](O)C[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001505536290 921435998 /nfs/dbraw/zinc/43/59/98/921435998.db2.gz SXYLRYUXZJENJV-PNESKVBLSA-N 2 0 269.389 -0.053 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]Cc1cccnc1 ZINC001425838662 908759495 /nfs/dbraw/zinc/75/94/95/908759495.db2.gz LIXGEQYTTYJJGJ-CQSZACIVSA-N 2 0 292.383 -0.256 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cccnc2)C1 ZINC001425844972 908762125 /nfs/dbraw/zinc/76/21/25/908762125.db2.gz VPQJVZMZMHYWFQ-KBPBESRZSA-N 2 0 292.383 -0.400 20 0 CBADRP C[C@H]1[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)C[NH+]1CCCC1 ZINC001425909330 908779969 /nfs/dbraw/zinc/77/99/69/908779969.db2.gz ZSSRLOFBIHLWPJ-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CCNC(=O)C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001426238189 908850674 /nfs/dbraw/zinc/85/06/74/908850674.db2.gz KKLSASWJPYIKQG-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001428803840 909170909 /nfs/dbraw/zinc/17/09/09/909170909.db2.gz KTEXWHVOVHIMKM-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001430097518 909288783 /nfs/dbraw/zinc/28/87/83/909288783.db2.gz YCPSYRQPCBLKLK-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001430205569 909312481 /nfs/dbraw/zinc/31/24/81/909312481.db2.gz CYRWWTHNUQZRKB-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001505865281 921489779 /nfs/dbraw/zinc/48/97/79/921489779.db2.gz PFFJFPVCMJYKKS-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CCNC(=O)CC[NH+](C)C ZINC001431496525 909484028 /nfs/dbraw/zinc/48/40/28/909484028.db2.gz RRUWPZDIHXBIHU-UHFFFAOYSA-N 2 0 286.420 -0.147 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@H+](C)CCO ZINC001505920456 921500396 /nfs/dbraw/zinc/50/03/96/921500396.db2.gz NAKHRJYNJICUCS-DGCLKSJQSA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CCO)CC[N@@H+]1C ZINC001507498606 921855210 /nfs/dbraw/zinc/85/52/10/921855210.db2.gz AMVNNULFXYXJAM-RWMBFGLXSA-N 2 0 287.404 -0.882 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC001433695521 909819332 /nfs/dbraw/zinc/81/93/32/909819332.db2.gz POLAVERKDXZQKC-MGPQQGTHSA-N 2 0 298.431 -0.806 20 0 CBADRP C[NH+]1CCC(O)(CNC(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001433731165 909836252 /nfs/dbraw/zinc/83/62/52/909836252.db2.gz HICZJCHYPMAHJF-GFCCVEGCSA-N 2 0 287.379 -0.007 20 0 CBADRP CN(CC[NH+](C)C)C(=O)NCC[N@@H+]1CCCOCC1 ZINC001434805871 910359291 /nfs/dbraw/zinc/35/92/91/910359291.db2.gz AXDKDYZQWNKMNF-UHFFFAOYSA-N 2 0 272.393 -0.088 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001436347486 910432320 /nfs/dbraw/zinc/43/23/20/910432320.db2.gz SDBPEXUVUCAKLA-TXEJJXNPSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001436358314 910432769 /nfs/dbraw/zinc/43/27/69/910432769.db2.gz ZVXVIHQONZVXDX-TXEJJXNPSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001436378216 910437954 /nfs/dbraw/zinc/43/79/54/910437954.db2.gz KVORFJCNBZOZLK-IJLUTSLNSA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCN1CC[NH+](CCO)CC1 ZINC001436721979 910471815 /nfs/dbraw/zinc/47/18/15/910471815.db2.gz YMULQRGXBSZMCG-UHFFFAOYSA-N 2 0 286.420 -0.947 20 0 CBADRP C[C@@H]([NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1)C(N)=O ZINC001436825991 910491259 /nfs/dbraw/zinc/49/12/59/910491259.db2.gz IJVAFKWPIXWAKK-PWSUYJOCSA-N 2 0 282.388 -0.560 20 0 CBADRP CN(C(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001436914917 910510156 /nfs/dbraw/zinc/51/01/56/910510156.db2.gz YBNSHQGJCSYXKT-HAQNSBGRSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001436950741 910518693 /nfs/dbraw/zinc/51/86/93/910518693.db2.gz FVCSVXDUMREBCA-TUAOUCFPSA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(=O)N(C)C ZINC001436981627 910522168 /nfs/dbraw/zinc/52/21/68/910522168.db2.gz ZHMVXDSUQRGLBT-LPWJVIDDSA-N 2 0 296.415 -0.348 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001437263172 910604046 /nfs/dbraw/zinc/60/40/46/910604046.db2.gz ROMIWKQXJWBJAW-GHMZBOCLSA-N 2 0 270.377 -0.879 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001437277045 910607529 /nfs/dbraw/zinc/60/75/29/910607529.db2.gz NRONAPNZQCLWPX-STQMWFEESA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001437277005 910607594 /nfs/dbraw/zinc/60/75/94/910607594.db2.gz NRONAPNZQCLWPX-QWHCGFSZSA-N 2 0 296.415 -0.204 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001437316524 910612260 /nfs/dbraw/zinc/61/22/60/910612260.db2.gz QJEYESPQUCZGHW-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001437421440 910631336 /nfs/dbraw/zinc/63/13/36/910631336.db2.gz IWQJHUWVQGEHRU-NWDGAFQWSA-N 2 0 294.403 -0.249 20 0 CBADRP CN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)CC(=O)N(C)C1CC1 ZINC001437445878 910638832 /nfs/dbraw/zinc/63/88/32/910638832.db2.gz BMFRCIOWLNDTKD-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP C[N@H+](CC(=O)NC[C@H]1CC[NH+](CC(N)=O)C1)C1CCC1 ZINC001437717689 910733717 /nfs/dbraw/zinc/73/37/17/910733717.db2.gz SMPFXOICLAKRRL-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001437829465 910757650 /nfs/dbraw/zinc/75/76/50/910757650.db2.gz JBFNHSKZTDVYRY-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001437828868 910757851 /nfs/dbraw/zinc/75/78/51/910757851.db2.gz OCXITXKQPQUBTI-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001437828867 910757965 /nfs/dbraw/zinc/75/79/65/910757965.db2.gz OCXITXKQPQUBTI-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001437932485 910777075 /nfs/dbraw/zinc/77/70/75/910777075.db2.gz MTDHLKBFSDLACI-JSGCOSHPSA-N 2 0 298.431 -0.114 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001437952042 910782907 /nfs/dbraw/zinc/78/29/07/910782907.db2.gz YYWZOIYQJDZDMF-QWHCGFSZSA-N 2 0 296.415 -0.488 20 0 CBADRP COC[C@H](O)C[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001438140860 910833329 /nfs/dbraw/zinc/83/33/29/910833329.db2.gz ABUZWIAJEPGCBG-TZMCWYRMSA-N 2 0 299.415 -0.617 20 0 CBADRP CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H](C)C(N)=O ZINC001438345900 910883973 /nfs/dbraw/zinc/88/39/73/910883973.db2.gz MKARVVXXBKPTMG-QWRGUYRKSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H]([NH2+]CC1(NC(=O)CC[NH+](C)C)CCCC1)C(N)=O ZINC001438400066 910891699 /nfs/dbraw/zinc/89/16/99/910891699.db2.gz DRHFNEAFJZRWNE-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+](C)C)C[NH2+][C@H]1CCCNC1=O ZINC001438513697 910907168 /nfs/dbraw/zinc/90/71/68/910907168.db2.gz HLQKRUFTBJTHOE-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001438527506 910911497 /nfs/dbraw/zinc/91/14/97/910911497.db2.gz GHMLPCYEZHELQI-RYUDHWBXSA-N 2 0 284.404 -0.584 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1cn(C)nn1 ZINC001438548201 910915843 /nfs/dbraw/zinc/91/58/43/910915843.db2.gz PVKAUWTWIVSPLK-VXGBXAGGSA-N 2 0 294.403 -0.391 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C[NH+]1CCCC1 ZINC001438725849 910963639 /nfs/dbraw/zinc/96/36/39/910963639.db2.gz XBVSFTBRMZYLLN-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP COC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001438994046 911045169 /nfs/dbraw/zinc/04/51/69/911045169.db2.gz ANBCFJTZOFWPSI-CHWSQXEVSA-N 2 0 299.415 -0.284 20 0 CBADRP C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001439017459 911055436 /nfs/dbraw/zinc/05/54/36/911055436.db2.gz GBRJYNVOXSVMHV-NWDGAFQWSA-N 2 0 289.420 -0.588 20 0 CBADRP C[C@@H](CC[NH2+][C@@H]1CCN(C)C1=O)NC(=O)C[NH+]1CCCC1 ZINC001439078289 911089592 /nfs/dbraw/zinc/08/95/92/911089592.db2.gz VGVUSYMPSRYKQU-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001439120063 911111118 /nfs/dbraw/zinc/11/11/18/911111118.db2.gz OUOWVWHIOXMHQW-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001439138077 911115634 /nfs/dbraw/zinc/11/56/34/911115634.db2.gz BZQMGENUGSHMQY-UTUOFQBUSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001439152328 911120918 /nfs/dbraw/zinc/12/09/18/911120918.db2.gz HWVDFQQKUYJVNP-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001439151338 911120990 /nfs/dbraw/zinc/12/09/90/911120990.db2.gz CXGSEKAWQRPBID-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001439164874 911126299 /nfs/dbraw/zinc/12/62/99/911126299.db2.gz ZFMYPSDGNLPMOD-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1)C(N)=O ZINC001506896952 921637035 /nfs/dbraw/zinc/63/70/35/921637035.db2.gz DZOAOAGCHOGZEC-RNJOBUHISA-N 2 0 296.415 -0.314 20 0 CBADRP CC(C)CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439282895 911166023 /nfs/dbraw/zinc/16/60/23/911166023.db2.gz OVGGQJSAIZZPCN-QWHCGFSZSA-N 2 0 298.431 -0.195 20 0 CBADRP CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001506907249 921640475 /nfs/dbraw/zinc/64/04/75/921640475.db2.gz ZOUQDHYKRAKQPS-ZDEQEGDKSA-N 2 0 296.415 -0.314 20 0 CBADRP CN(C)C(=O)C[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001439806310 911295598 /nfs/dbraw/zinc/29/55/98/911295598.db2.gz VDOVSYXUXBASIJ-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CCn2cncn2)C1 ZINC001439850053 911303081 /nfs/dbraw/zinc/30/30/81/911303081.db2.gz LCYCHDRIFANUHH-CQSZACIVSA-N 2 0 294.403 -0.190 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1 ZINC001440152359 911389177 /nfs/dbraw/zinc/38/91/77/911389177.db2.gz TXECTCJQWHFDEB-TXEJJXNPSA-N 2 0 282.388 -0.796 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001440374928 911440020 /nfs/dbraw/zinc/44/00/20/911440020.db2.gz LBGIJHHLJQGUML-TZMCWYRMSA-N 2 0 299.415 -0.332 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001440408002 911447369 /nfs/dbraw/zinc/44/73/69/911447369.db2.gz SNIGVGRPDXRRJG-RWMBFGLXSA-N 2 0 296.415 -0.441 20 0 CBADRP COCC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001440701426 911494932 /nfs/dbraw/zinc/49/49/32/911494932.db2.gz BVIJAQHCXBYJNK-ZDUSSCGKSA-N 2 0 299.415 -0.472 20 0 CBADRP CC[C@@H]([NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001440760828 911505448 /nfs/dbraw/zinc/50/54/48/911505448.db2.gz LUMVHGZQBMVQRH-WXRRBKDZSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]([NH2+]CC(=O)N(C)C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001440816643 911519351 /nfs/dbraw/zinc/51/93/51/911519351.db2.gz IGLMJOZLTCHDMA-NEPJUHHUSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H]([NH2+]CCO)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001440825069 911523986 /nfs/dbraw/zinc/52/39/86/911523986.db2.gz BQQYGMKPZUIZCE-NEPJUHHUSA-N 2 0 287.404 -0.428 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001440863468 911534375 /nfs/dbraw/zinc/53/43/75/911534375.db2.gz WCXGZBFDYWQQKF-MNOVXSKESA-N 2 0 272.393 -0.445 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@@H]1CCN(C)C1=O ZINC001441003886 911582154 /nfs/dbraw/zinc/58/21/54/911582154.db2.gz SMZZXTDSIXUFJL-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001441229248 911630652 /nfs/dbraw/zinc/63/06/52/911630652.db2.gz NDSZJDTUYUZNED-BFHYXJOUSA-N 2 0 299.415 -0.428 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001441248383 911631117 /nfs/dbraw/zinc/63/11/17/911631117.db2.gz AURWNADTJBHWLN-QWHCGFSZSA-N 2 0 296.415 -0.489 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001441300154 911640798 /nfs/dbraw/zinc/64/07/98/911640798.db2.gz NPDPEVRQHJDYAI-LLVKDONJSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001441362922 911653471 /nfs/dbraw/zinc/65/34/71/911653471.db2.gz ASAIKMVOWYWEMC-WISYIIOYSA-N 2 0 282.388 -0.704 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507125608 921684023 /nfs/dbraw/zinc/68/40/23/921684023.db2.gz ITAUUEXTWSGQFA-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+][C@H]1CCNC1=O ZINC001441532437 911699467 /nfs/dbraw/zinc/69/94/67/911699467.db2.gz FZCGRFURLQVMLR-RYUDHWBXSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O)[NH+](C)C ZINC001507123539 921686016 /nfs/dbraw/zinc/68/60/16/921686016.db2.gz PXAMNVPJPPNFRM-UWVGGRQHSA-N 2 0 258.366 -0.752 20 0 CBADRP CC[NH2+][C@@H](CO)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001441729614 911770603 /nfs/dbraw/zinc/77/06/03/911770603.db2.gz ZUILIMYURNFRQD-LLVKDONJSA-N 2 0 289.339 -0.033 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](CO)[NH2+]CC1CC1 ZINC001441795636 911811711 /nfs/dbraw/zinc/81/17/11/911811711.db2.gz OPOYGQYZPHUTKI-GXTWGEPZSA-N 2 0 299.415 -0.569 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]C/C=C/Cl)C1 ZINC001441797648 911813589 /nfs/dbraw/zinc/81/35/89/911813589.db2.gz QNFKNZWLERRRPF-LOMYTOQZSA-N 2 0 275.780 -0.243 20 0 CBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001441838554 911828703 /nfs/dbraw/zinc/82/87/03/911828703.db2.gz GOQYNWCXBCKMBT-RYUDHWBXSA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001441834514 911830056 /nfs/dbraw/zinc/83/00/56/911830056.db2.gz IYALBBHURLGEQC-WCQYABFASA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001441836783 911830125 /nfs/dbraw/zinc/83/01/25/911830125.db2.gz CYOPHNMTDVVPEU-JTQLQIEISA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CCC[NH+]1CCCC1 ZINC001441845739 911835036 /nfs/dbraw/zinc/83/50/36/911835036.db2.gz YYGXFXNKXSOQMX-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001441938724 911857539 /nfs/dbraw/zinc/85/75/39/911857539.db2.gz JGTDZSDSDXUYQZ-NWDGAFQWSA-N 2 0 298.431 -0.101 20 0 CBADRP NC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001441935164 911858385 /nfs/dbraw/zinc/85/83/85/911858385.db2.gz QOVHAIXNKAGIHP-NEPJUHHUSA-N 2 0 294.399 -0.558 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001441936972 911860991 /nfs/dbraw/zinc/86/09/91/911860991.db2.gz QLNLDLHSQIYBCY-RYUDHWBXSA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cnnn1C ZINC001441949007 911865335 /nfs/dbraw/zinc/86/53/35/911865335.db2.gz VGHJJWLNKWDSQM-LLVKDONJSA-N 2 0 294.403 -0.249 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001441951740 911867542 /nfs/dbraw/zinc/86/75/42/911867542.db2.gz YDJAINIVIJGMFJ-NSHDSACASA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cnn(C)c1 ZINC001442052735 911911309 /nfs/dbraw/zinc/91/13/09/911911309.db2.gz PQEPVCNMFKQCIF-DGCLKSJQSA-N 2 0 279.388 -0.034 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001442119953 911934392 /nfs/dbraw/zinc/93/43/92/911934392.db2.gz KMDJGSCVJKMQQE-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C)C1 ZINC001442174304 911948365 /nfs/dbraw/zinc/94/83/65/911948365.db2.gz KSGRFTYIPJNBDU-WDEREUQCSA-N 2 0 284.404 -0.456 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001442251400 911955792 /nfs/dbraw/zinc/95/57/92/911955792.db2.gz ZKJDZJCMRFQQRI-HIFPTAJRSA-N 2 0 296.415 -0.204 20 0 CBADRP CN(C(=O)C1(C[NH+](C)C)CC1)C1CC([NH2+]CC(N)=O)C1 ZINC001442250661 911956139 /nfs/dbraw/zinc/95/61/39/911956139.db2.gz JMDMGMJRHORIHH-UHFFFAOYSA-N 2 0 282.388 -0.608 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001442889030 912122617 /nfs/dbraw/zinc/12/26/17/912122617.db2.gz XRWVKNZKOAIXBJ-NSHDSACASA-N 2 0 270.377 -0.878 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC(=O)NCC)C1 ZINC001442898857 912124438 /nfs/dbraw/zinc/12/44/38/912124438.db2.gz BOSFKNYYEISAPP-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001442899402 912125462 /nfs/dbraw/zinc/12/54/62/912125462.db2.gz DSERTXWKAMRPLJ-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001442901250 912125672 /nfs/dbraw/zinc/12/56/72/912125672.db2.gz CVVQMEVSWAUYHF-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001443084586 912151476 /nfs/dbraw/zinc/15/14/76/912151476.db2.gz JDXDIGOVKFOJTA-WDEREUQCSA-N 2 0 270.377 -0.737 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001443098297 912156862 /nfs/dbraw/zinc/15/68/62/912156862.db2.gz WPHXGISTOXUVMF-GHMZBOCLSA-N 2 0 270.377 -0.879 20 0 CBADRP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001443108388 912160697 /nfs/dbraw/zinc/16/06/97/912160697.db2.gz ZNWWXDUIVHMWSU-LLVKDONJSA-N 2 0 280.372 -0.981 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001443116946 912161840 /nfs/dbraw/zinc/16/18/40/912161840.db2.gz KMPIGCXAPGDOOI-YPMHNXCESA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001443107891 912162636 /nfs/dbraw/zinc/16/26/36/912162636.db2.gz ZIMNCNABPGZJQE-WDEREUQCSA-N 2 0 270.377 -0.750 20 0 CBADRP C[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001443249502 912173560 /nfs/dbraw/zinc/17/35/60/912173560.db2.gz RKVIHFIGLRAVEQ-NSHDSACASA-N 2 0 270.377 -0.748 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001443314997 912185305 /nfs/dbraw/zinc/18/53/05/912185305.db2.gz AUNFPVBRXNXVTE-QWHCGFSZSA-N 2 0 298.431 -0.018 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@@H](C)C(N)=O)C1 ZINC001443348630 912187937 /nfs/dbraw/zinc/18/79/37/912187937.db2.gz YXCLBIMAOLDDDS-QWHCGFSZSA-N 2 0 298.431 -0.019 20 0 CBADRP O=C(NC[C@H](CO)[NH2+]CCCO)C12CCC[NH+]1CCC2 ZINC001507216744 921747089 /nfs/dbraw/zinc/74/70/89/921747089.db2.gz ZXIYLUFAHFCBLL-GFCCVEGCSA-N 2 0 285.388 -0.936 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]CCC(F)(F)F ZINC001507231737 921764744 /nfs/dbraw/zinc/76/47/44/921764744.db2.gz JJDRWFYGKHJLPU-SECBINFHSA-N 2 0 285.310 -0.043 20 0 CBADRP Cn1cnc(CCNC(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC001470445339 915485410 /nfs/dbraw/zinc/48/54/10/915485410.db2.gz JMXVBKJZWLKKOM-CYBMUJFWSA-N 2 0 281.360 -0.672 20 0 CBADRP CC(C)C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001507262702 921793204 /nfs/dbraw/zinc/79/32/04/921793204.db2.gz ZGLIXEDCYJTIBE-GFCCVEGCSA-N 2 0 257.378 -0.195 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC001472850601 915771135 /nfs/dbraw/zinc/77/11/35/915771135.db2.gz JHHJTPHSRBHJKX-ZETCQYMHSA-N 2 0 267.337 -0.707 20 0 CBADRP Nc1nc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)nc(N)[nH+]1 ZINC001472895998 915779223 /nfs/dbraw/zinc/77/92/23/915779223.db2.gz PXEIRFNXNNICGM-BDAKNGLRSA-N 2 0 279.348 -0.929 20 0 CBADRP C[C@H]1C[N@H+](CCO)CCN1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC001473547327 915831525 /nfs/dbraw/zinc/83/15/25/915831525.db2.gz SDSSUUKMYAOOMW-SOUVJXGZSA-N 2 0 283.416 -0.152 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001507298093 921802980 /nfs/dbraw/zinc/80/29/80/921802980.db2.gz PIDPGKPXOXRUIG-NEPJUHHUSA-N 2 0 284.404 -0.348 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC(=O)NC2CC2)CN1C(=O)CC[NH+](C)C ZINC001507317454 921807900 /nfs/dbraw/zinc/80/79/00/921807900.db2.gz GXAAKFKMSRJAMR-YPMHNXCESA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@H+](C)[C@H]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC001477868213 916020934 /nfs/dbraw/zinc/02/09/34/916020934.db2.gz HAVBGRCJYHQUOY-UONOGXRCSA-N 2 0 297.447 -0.032 20 0 CBADRP Cn1cnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001479319290 916118020 /nfs/dbraw/zinc/11/80/20/916118020.db2.gz GWJZIZWJAVFSLA-TXEJJXNPSA-N 2 0 294.403 -0.249 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001479320880 916120091 /nfs/dbraw/zinc/12/00/91/916120091.db2.gz HQJDWVLEDAJRRV-RWMBFGLXSA-N 2 0 296.415 -0.441 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001479319566 916120196 /nfs/dbraw/zinc/12/01/96/916120196.db2.gz MECQKALQFGPPAL-TUAOUCFPSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CC(N)=O)CC[N@@H+]1C ZINC001479770641 916167214 /nfs/dbraw/zinc/16/72/14/916167214.db2.gz HPTGOKSMGKQLQB-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CCO)C1 ZINC001479911933 916209932 /nfs/dbraw/zinc/20/99/32/916209932.db2.gz VCQSNIBTYBIWBD-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001480009679 916255912 /nfs/dbraw/zinc/25/59/12/916255912.db2.gz ZHWOSQLQZVRXLH-CHWSQXEVSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001480137983 916306813 /nfs/dbraw/zinc/30/68/13/916306813.db2.gz DGVTUZMUYOVCPM-JHJVBQTASA-N 2 0 294.399 -0.689 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001480168802 916317743 /nfs/dbraw/zinc/31/77/43/916317743.db2.gz YYUOLWNUZHGSPN-DCAQKATOSA-N 2 0 270.377 -0.561 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001480168803 916318191 /nfs/dbraw/zinc/31/81/91/916318191.db2.gz YYUOLWNUZHGSPN-GMTAPVOTSA-N 2 0 270.377 -0.561 20 0 CBADRP CC[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)C1)OC ZINC001480198012 916324828 /nfs/dbraw/zinc/32/48/28/916324828.db2.gz FAHRPPBWGMMLEN-XJFOESAGSA-N 2 0 299.415 -0.021 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOCCO)C1 ZINC001480218122 916332714 /nfs/dbraw/zinc/33/27/14/916332714.db2.gz FFISQKFVUUGFPU-FRRDWIJNSA-N 2 0 285.388 -0.674 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001480233582 916339566 /nfs/dbraw/zinc/33/95/66/916339566.db2.gz HJRZMOLBDAMEGY-SDDRHHMPSA-N 2 0 257.378 -0.054 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001480394787 916373308 /nfs/dbraw/zinc/37/33/08/916373308.db2.gz LFZXWDKMODXUIR-FHUSYTEZSA-N 2 0 296.415 -0.363 20 0 CBADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001480478478 916432161 /nfs/dbraw/zinc/43/21/61/916432161.db2.gz ZFMBAHVHFIQFPU-AAEUAGOBSA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001480530440 916458698 /nfs/dbraw/zinc/45/86/98/916458698.db2.gz GVTNOALBTJORLX-QWRGUYRKSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]CC(=O)N(C)C ZINC001480528685 916460054 /nfs/dbraw/zinc/46/00/54/916460054.db2.gz XXZUWYZNWQOAQS-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCNC1=O ZINC001480560250 916472622 /nfs/dbraw/zinc/47/26/22/916472622.db2.gz VMUGTEASHCFZBQ-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCNC1=O ZINC001480560247 916472650 /nfs/dbraw/zinc/47/26/50/916472650.db2.gz VMUGTEASHCFZBQ-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001480571559 916477699 /nfs/dbraw/zinc/47/76/99/916477699.db2.gz INXUFLMYFLYNLD-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001480566940 916478006 /nfs/dbraw/zinc/47/80/06/916478006.db2.gz XNMLNROQTSCUHP-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001480566939 916479209 /nfs/dbraw/zinc/47/92/09/916479209.db2.gz XNMLNROQTSCUHP-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001480576665 916482144 /nfs/dbraw/zinc/48/21/44/916482144.db2.gz KAPUAKUXFCDRHE-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]CC(N)=O ZINC001480596187 916486258 /nfs/dbraw/zinc/48/62/58/916486258.db2.gz IRSBUOBCIPAUOT-LLVKDONJSA-N 2 0 270.377 -0.558 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]CCCO)C1 ZINC001480619556 916495284 /nfs/dbraw/zinc/49/52/84/916495284.db2.gz CTQCWCXLSRQGHG-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP C[N@H+](CC(=O)N1CC[C@H]([NH2+]CCOCCO)C1)C1CCC1 ZINC001480615806 916497471 /nfs/dbraw/zinc/49/74/71/916497471.db2.gz CJOKJMMDLZRYQS-ZDUSSCGKSA-N 2 0 299.415 -0.330 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001480621967 916499292 /nfs/dbraw/zinc/49/92/92/916499292.db2.gz IRVDIJAPPVEBTI-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCO)C1 ZINC001480638914 916507070 /nfs/dbraw/zinc/50/70/70/916507070.db2.gz XLOKUSFEHNSMCN-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001480649059 916510526 /nfs/dbraw/zinc/51/05/26/916510526.db2.gz RUDJDRGXLCUPGR-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]CCO)C2)CC[N@@H+]1C ZINC001480646764 916511265 /nfs/dbraw/zinc/51/12/65/916511265.db2.gz UIDWHPWRJMFSAU-FRRDWIJNSA-N 2 0 269.389 -0.243 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]CCn2cncn2)C1 ZINC001480659805 916513880 /nfs/dbraw/zinc/51/38/80/916513880.db2.gz VQAXNBPNAMMQOS-CYBMUJFWSA-N 2 0 294.403 -0.332 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001480659137 916514391 /nfs/dbraw/zinc/51/43/91/916514391.db2.gz OCAPFPKRAFIMEW-LLVKDONJSA-N 2 0 270.377 -0.878 20 0 CBADRP CN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001480659801 916514523 /nfs/dbraw/zinc/51/45/23/916514523.db2.gz VMLCKXVRYDZWPI-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@H](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001480770338 916533262 /nfs/dbraw/zinc/53/32/62/916533262.db2.gz BGDFLOXXJZZQCO-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001480808679 916546787 /nfs/dbraw/zinc/54/67/87/916546787.db2.gz OIUROYXRZQDFRH-NWDGAFQWSA-N 2 0 294.403 -0.249 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[C@H](C)[NH2+]CC(N)=O ZINC001480813487 916547843 /nfs/dbraw/zinc/54/78/43/916547843.db2.gz HKXLWHHTRXIDFD-JTQLQIEISA-N 2 0 258.366 -0.704 20 0 CBADRP C[NH+](C)C1(C(=O)NCC[N@H+](C)CCCO)CCC1 ZINC001480872538 916591653 /nfs/dbraw/zinc/59/16/53/916591653.db2.gz BPNKMUJXFSHOKV-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP C[N@H+](CCCO)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001480934920 916641639 /nfs/dbraw/zinc/64/16/39/916641639.db2.gz IIPJMYXDYFLUGS-GFCCVEGCSA-N 2 0 257.378 -0.241 20 0 CBADRP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)[C@H]1CCNC1=O ZINC001481016109 916689163 /nfs/dbraw/zinc/68/91/63/916689163.db2.gz BBAPCYMISFSQGS-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001481228880 916775993 /nfs/dbraw/zinc/77/59/93/916775993.db2.gz KOEZPEGLHRNECM-VXGBXAGGSA-N 2 0 284.404 -0.219 20 0 CBADRP CCn1nncc1C[NH2+]CCN(C)C(=O)CC[NH+](C)C ZINC001481277678 916803925 /nfs/dbraw/zinc/80/39/25/916803925.db2.gz UDIVSPMJNJGZCT-UHFFFAOYSA-N 2 0 282.392 -0.202 20 0 CBADRP CN(CC[NH2+]Cc1ccnn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481314448 916812651 /nfs/dbraw/zinc/81/26/51/916812651.db2.gz GIQLMQRDKAOUND-GFCCVEGCSA-N 2 0 279.388 -0.080 20 0 CBADRP CN(CC[NH2+]Cc1ccnn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481314449 916815965 /nfs/dbraw/zinc/81/59/65/916815965.db2.gz GIQLMQRDKAOUND-LBPRGKRZSA-N 2 0 279.388 -0.080 20 0 CBADRP CN(CC[NH2+]CC(=O)N1CCCC1)C(=O)C[NH+]1CCCC1 ZINC001481314508 916817203 /nfs/dbraw/zinc/81/72/03/916817203.db2.gz GYUZXRARCMNRGK-UHFFFAOYSA-N 2 0 296.415 -0.247 20 0 CBADRP C[N@H+](CCO)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001481478714 916843751 /nfs/dbraw/zinc/84/37/51/916843751.db2.gz AOGSXSROFCDLAK-QWHCGFSZSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@H]1CC[N@H+](CCO)C1 ZINC001481752063 916975171 /nfs/dbraw/zinc/97/51/71/916975171.db2.gz VCLYXGLHRJUQJF-KGLIPLIRSA-N 2 0 299.415 -0.520 20 0 CBADRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCn1cncn1 ZINC001481875689 917013340 /nfs/dbraw/zinc/01/33/40/917013340.db2.gz PBZYHYAAELGYIL-STQMWFEESA-N 2 0 294.403 -0.286 20 0 CBADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]C[C@H](C)O ZINC001481879325 917016873 /nfs/dbraw/zinc/01/68/73/917016873.db2.gz PYAJEQRZVGYYIL-RYUDHWBXSA-N 2 0 257.378 -0.053 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482063211 917038844 /nfs/dbraw/zinc/03/88/44/917038844.db2.gz ZCOMOKKIYVUKHC-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]CC(=O)N(C)C ZINC001482084040 917045800 /nfs/dbraw/zinc/04/58/00/917045800.db2.gz GOSFNNIHNKSHJX-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001482136258 917063365 /nfs/dbraw/zinc/06/33/65/917063365.db2.gz HSODJTVTBYCWIP-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ncnn1C ZINC001482168322 917072852 /nfs/dbraw/zinc/07/28/52/917072852.db2.gz MSAIRJKYOKBSIX-NEPJUHHUSA-N 2 0 294.403 -0.391 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482353708 917133912 /nfs/dbraw/zinc/13/39/12/917133912.db2.gz KMLSGXIVHYFVGV-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP CC(C)C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001482394196 917143232 /nfs/dbraw/zinc/14/32/32/917143232.db2.gz OIFFHKZBNUHXAE-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1C[NH2+]CC(N)=O ZINC001482498515 917150278 /nfs/dbraw/zinc/15/02/78/917150278.db2.gz AQXLDIHXYCAIOW-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1C[NH2+]CC(N)=O ZINC001482498519 917151929 /nfs/dbraw/zinc/15/19/29/917151929.db2.gz AQXLDIHXYCAIOW-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP CN(CC[N@H+](C)CCCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001482648955 917196305 /nfs/dbraw/zinc/19/63/05/917196305.db2.gz CJSPBMYFTHJGLS-LBPRGKRZSA-N 2 0 257.378 -0.289 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nccn1C)[NH+](C)C ZINC001482742968 917246752 /nfs/dbraw/zinc/24/67/52/917246752.db2.gz XQKUMGDLCGCDQM-NWDGAFQWSA-N 2 0 297.403 -0.673 20 0 CBADRP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1nccn1C)[NH+](C)C ZINC001482742969 917249114 /nfs/dbraw/zinc/24/91/14/917249114.db2.gz XQKUMGDLCGCDQM-VXGBXAGGSA-N 2 0 297.403 -0.673 20 0 CBADRP CCC[NH2+]C[C@@H](O)CNC(=O)COC1CC[NH+](C)CC1 ZINC001482781358 917280142 /nfs/dbraw/zinc/28/01/42/917280142.db2.gz PWIIBUGWXLWIBD-GFCCVEGCSA-N 2 0 287.404 -0.426 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC2CCOCC2)C1 ZINC001482791461 917285924 /nfs/dbraw/zinc/28/59/24/917285924.db2.gz SHUVZOUHWNHZCD-KGLIPLIRSA-N 2 0 299.415 -0.569 20 0 CBADRP CC(C)[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001482792172 917286102 /nfs/dbraw/zinc/28/61/02/917286102.db2.gz GLFWPFYEESZJRG-CHWSQXEVSA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482841193 917310015 /nfs/dbraw/zinc/31/00/15/917310015.db2.gz CRHDDICJTMRQIK-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001482840654 917310041 /nfs/dbraw/zinc/31/00/41/917310041.db2.gz YFXWPOQAJOTZKW-AAEUAGOBSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001482840645 917311052 /nfs/dbraw/zinc/31/10/52/917311052.db2.gz YCOUDFUPFQXOJX-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](CC[NH2+][C@@H]1CCCNC1=O)NC(=O)CC[NH+](C)C ZINC001482866656 917316518 /nfs/dbraw/zinc/31/65/18/917316518.db2.gz BRNIJZSGCMKIHZ-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C ZINC001482868868 917318362 /nfs/dbraw/zinc/31/83/62/917318362.db2.gz XZBRZCQCGLHULM-JTQLQIEISA-N 2 0 258.366 -0.832 20 0 CBADRP C[C@H](CC[NH2+]CC(N)=O)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001482875756 917322503 /nfs/dbraw/zinc/32/25/03/917322503.db2.gz ZALKRSBODDUDBQ-LLVKDONJSA-N 2 0 286.420 -0.066 20 0 CBADRP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001482899612 917328044 /nfs/dbraw/zinc/32/80/44/917328044.db2.gz SNZFQLPYNRZHJT-JTQLQIEISA-N 2 0 256.350 -0.948 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC(N)=O ZINC001482901022 917329380 /nfs/dbraw/zinc/32/93/80/917329380.db2.gz IKIJTILJHAKHSS-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP CCN(CC[NH2+]CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482944774 917346441 /nfs/dbraw/zinc/34/64/41/917346441.db2.gz OLVGIYFHGWVUOJ-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP CC[C@H]([NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001482966707 917350127 /nfs/dbraw/zinc/35/01/27/917350127.db2.gz HETCYOAMKGFOFX-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[C@@H]([NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001482966710 917351866 /nfs/dbraw/zinc/35/18/66/917351866.db2.gz HETCYOAMKGFOFX-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001483013362 917372717 /nfs/dbraw/zinc/37/27/17/917372717.db2.gz ZIVWTZXRGBEWOF-DSYXLKISSA-N 2 0 296.415 -0.133 20 0 CBADRP CNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001483013364 917373829 /nfs/dbraw/zinc/37/38/29/917373829.db2.gz ZIVWTZXRGBEWOF-IHVVCDCBSA-N 2 0 296.415 -0.133 20 0 CBADRP C[C@@H]([NH2+]C/C=C/CNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001483053199 917389895 /nfs/dbraw/zinc/38/98/95/917389895.db2.gz CFFYOOFTXQTMAF-NNNHXZLVSA-N 2 0 284.404 -0.323 20 0 CBADRP C[NH+]1CCC(C(=O)NC/C=C\C[NH2+][C@H]2CCNC2=O)CC1 ZINC001483053820 917393424 /nfs/dbraw/zinc/39/34/24/917393424.db2.gz HSBACCQSSBLBKW-ZRMMWKCHSA-N 2 0 294.399 -0.521 20 0 CBADRP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001483053819 917393893 /nfs/dbraw/zinc/39/38/93/917393893.db2.gz HSBACCQSSBLBKW-YWVDXFKGSA-N 2 0 294.399 -0.521 20 0 CBADRP O=C(NC/C=C/C[NH2+]CCO)C12CC[NH+](CC1)C2 ZINC001483084463 917403924 /nfs/dbraw/zinc/40/39/24/917403924.db2.gz ZDOXVZGJVFWRTP-OWOJBTEDSA-N 2 0 253.346 -0.664 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001483098929 917407956 /nfs/dbraw/zinc/40/79/56/917407956.db2.gz UQRNBYAXMLYCFL-QMAVJUDZSA-N 2 0 282.388 -0.392 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC ZINC001483099330 917408676 /nfs/dbraw/zinc/40/86/76/917408676.db2.gz XLTMHGDLHQXDIS-SZZPACECSA-N 2 0 296.415 -0.131 20 0 CBADRP C[C@H](C[NH2+]CCOCCO)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001483141746 917435137 /nfs/dbraw/zinc/43/51/37/917435137.db2.gz XSKIQYHFHZGVJB-CHWSQXEVSA-N 2 0 287.404 -0.426 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001483237223 917485374 /nfs/dbraw/zinc/48/53/74/917485374.db2.gz BIJWWOTYFVBIMW-DCAQKATOSA-N 2 0 272.393 -0.459 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)Cn1ccnc1C ZINC001483294427 917508807 /nfs/dbraw/zinc/50/88/07/917508807.db2.gz ZHAACICDIVRJDF-VIFPVBQESA-N 2 0 267.333 -0.968 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CCc1cncn1C ZINC001483289607 917511733 /nfs/dbraw/zinc/51/17/33/917511733.db2.gz XHNOBJKIUICANX-CMPLNLGQSA-N 2 0 293.371 -0.665 20 0 CBADRP C[C@@H](C[N@H+](C)[C@H]1CCN(C)C1=O)NC(=O)C[NH+]1CCCC1 ZINC001483422203 917559506 /nfs/dbraw/zinc/55/95/06/917559506.db2.gz SHTSHNGUQQISDP-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CN(CCC[NH2+]Cc1cnnn1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001483455799 917566625 /nfs/dbraw/zinc/56/66/25/917566625.db2.gz DLDIBQNWNSSBBQ-ZDUSSCGKSA-N 2 0 294.403 -0.153 20 0 CBADRP CN(C)C(=O)C[NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001483470056 917573596 /nfs/dbraw/zinc/57/35/96/917573596.db2.gz IAEVNWNHVWVFBV-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CCCO)C2CC2)C1 ZINC001483604899 917603176 /nfs/dbraw/zinc/60/31/76/917603176.db2.gz AGFKMWHADLMXEW-OLZOCXBDSA-N 2 0 269.389 -0.195 20 0 CBADRP O=C(NCC1([NH2+]CCCO)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001483734528 917664064 /nfs/dbraw/zinc/66/40/64/917664064.db2.gz CCYQQXPZJPHVCL-ZDUSSCGKSA-N 2 0 281.400 -0.051 20 0 CBADRP CC[C@H](C(=O)NCC1([NH2+][C@H](C)C(N)=O)CC1)[NH+](C)C ZINC001483746264 917669157 /nfs/dbraw/zinc/66/91/57/917669157.db2.gz LCKAUSCPZVCXFH-NXEZZACHSA-N 2 0 270.377 -0.561 20 0 CBADRP CCN(C)C(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001483790243 917681497 /nfs/dbraw/zinc/68/14/97/917681497.db2.gz CVAMHDZASKCMHL-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001484007164 917719282 /nfs/dbraw/zinc/71/92/82/917719282.db2.gz UGJPJECCGVJHRS-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCO)CCOCC1 ZINC001484177954 917745372 /nfs/dbraw/zinc/74/53/72/917745372.db2.gz AIQLXSYXPFQIJI-ZDUSSCGKSA-N 2 0 299.415 -0.282 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCO)C2)CC[N@@H+]1C ZINC001484235031 917778871 /nfs/dbraw/zinc/77/88/71/917778871.db2.gz FGNKRPZSMFFMCI-YDHLFZDLSA-N 2 0 299.415 -0.738 20 0 CBADRP CCC[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001484239281 917785829 /nfs/dbraw/zinc/78/58/29/917785829.db2.gz VUEGDEDELXQTIS-CYBMUJFWSA-N 2 0 257.378 -0.099 20 0 CBADRP COCCCN1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001484265236 917809560 /nfs/dbraw/zinc/80/95/60/917809560.db2.gz WWRAISPLRDRPLN-LBPRGKRZSA-N 2 0 285.388 -0.720 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@]1(CO)CCC[NH+](CCO)C1 ZINC001484446781 917857252 /nfs/dbraw/zinc/85/72/52/917857252.db2.gz DBALPAKUFBXABC-AWEZNQCLSA-N 2 0 287.404 -0.736 20 0 CBADRP CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484536207 917883129 /nfs/dbraw/zinc/88/31/29/917883129.db2.gz OKSCIJLVMUOVSD-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001484580515 917886097 /nfs/dbraw/zinc/88/60/97/917886097.db2.gz JCOGWUGHDXJOEH-LBPRGKRZSA-N 2 0 296.415 -0.264 20 0 CBADRP C[N@H+](CC(=O)N1CCO[C@H](C[NH2+]CCO)C1)C1CCC1 ZINC001484681783 917922695 /nfs/dbraw/zinc/92/26/95/917922695.db2.gz ZNBMIYSQJGNSBB-CYBMUJFWSA-N 2 0 285.388 -0.720 20 0 CBADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC(N)=O ZINC001484897800 917963195 /nfs/dbraw/zinc/96/31/95/917963195.db2.gz RHULZGWTHBVPLR-WDEREUQCSA-N 2 0 270.377 -0.750 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001484902003 917963605 /nfs/dbraw/zinc/96/36/05/917963605.db2.gz NACXGQCKWLEJHR-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001485188778 918023901 /nfs/dbraw/zinc/02/39/01/918023901.db2.gz JHTSGNHVVKMGSU-GHMZBOCLSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001485189668 918024443 /nfs/dbraw/zinc/02/44/43/918024443.db2.gz YEGAZISCWBQOIS-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H]([NH2+]CC(=O)NC1CC1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001485188779 918024868 /nfs/dbraw/zinc/02/48/68/918024868.db2.gz JHTSGNHVVKMGSU-MNOVXSKESA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CCO ZINC001485376843 918098630 /nfs/dbraw/zinc/09/86/30/918098630.db2.gz KHPMBGNEYBSYLF-NSHDSACASA-N 2 0 255.362 -0.489 20 0 CBADRP C[N@H+](CCO)CCOCCNC(=O)C1CC[NH+](C)CC1 ZINC001485776439 918184850 /nfs/dbraw/zinc/18/48/50/918184850.db2.gz KFEGLJZZHPOHFW-UHFFFAOYSA-N 2 0 287.404 -0.615 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001485920038 918228747 /nfs/dbraw/zinc/22/87/47/918228747.db2.gz PZURDKXJIAEBCW-NWDGAFQWSA-N 2 0 286.420 -0.149 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001485940979 918236137 /nfs/dbraw/zinc/23/61/37/918236137.db2.gz MDIWOVRGEPDREQ-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP COC[C@@H](C)[NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001486002526 918293694 /nfs/dbraw/zinc/29/36/94/918293694.db2.gz RZDARDXRPOYHKZ-NEPJUHHUSA-N 2 0 287.404 -0.428 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCCO)CC[N@@H+]1C ZINC001486028239 918319850 /nfs/dbraw/zinc/31/98/50/918319850.db2.gz UGCWNIDKPHCNII-AVGNSLFASA-N 2 0 287.404 -0.834 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC1CC1)[NH+](C)C ZINC001486052260 918343610 /nfs/dbraw/zinc/34/36/10/918343610.db2.gz DHANCVGUZCPLEG-RYUDHWBXSA-N 2 0 257.378 -0.197 20 0 CBADRP COCC[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001486053286 918344187 /nfs/dbraw/zinc/34/41/87/918344187.db2.gz XUURCQGFTDLOKY-NWDGAFQWSA-N 2 0 273.377 -0.959 20 0 CBADRP C[C@@H]1[C@H]([NH2+]CCOCCO)CCN1C(=O)C[NH+]1CCCC1 ZINC001486097263 918364178 /nfs/dbraw/zinc/36/41/78/918364178.db2.gz SVLQNFSXWYWLSL-ZIAGYGMSSA-N 2 0 299.415 -0.330 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCO)C[C@@H]1C ZINC001486131143 918370773 /nfs/dbraw/zinc/37/07/73/918370773.db2.gz UOSLIBGBTMZZBD-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCO)C[C@@H]1C ZINC001486131144 918371921 /nfs/dbraw/zinc/37/19/21/918371921.db2.gz UOSLIBGBTMZZBD-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001486220089 918384683 /nfs/dbraw/zinc/38/46/83/918384683.db2.gz XNQVLNPJGSACRK-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP COCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001486286379 918411207 /nfs/dbraw/zinc/41/12/07/918411207.db2.gz VBTXHKYBAQREHC-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CCC[NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001486316770 918423840 /nfs/dbraw/zinc/42/38/40/918423840.db2.gz IIGSWEMNBUJFRZ-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP CNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651676 918743762 /nfs/dbraw/zinc/74/37/62/918743762.db2.gz AXHVDLBNFGQFQI-VXGBXAGGSA-N 2 0 284.404 -0.395 20 0 CBADRP C[C@H]([NH2+][C@@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1)C(N)=O ZINC001488857917 918776121 /nfs/dbraw/zinc/77/61/21/918776121.db2.gz GKVNFDSWIVJUQP-CYDGBPFRSA-N 2 0 296.415 -0.314 20 0 CBADRP C[N@H+](CCO)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001490196309 918862356 /nfs/dbraw/zinc/86/23/56/918862356.db2.gz NMMJTUAZDNWTTC-CYBMUJFWSA-N 2 0 269.389 -0.241 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)CC(=O)N1CCC1 ZINC001490281205 918881343 /nfs/dbraw/zinc/88/13/43/918881343.db2.gz HJIHEGMFCMGLHJ-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH+](C)[C@@H]1CCN(C)C1=O ZINC001490264935 918883591 /nfs/dbraw/zinc/88/35/91/918883591.db2.gz JLOFMJFELUCNNS-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001490270477 918884318 /nfs/dbraw/zinc/88/43/18/918884318.db2.gz PVTZNALHPAQCEJ-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH+](C)[C@H]1CCNC1=O ZINC001490270810 918884917 /nfs/dbraw/zinc/88/49/17/918884917.db2.gz JCUZOLDOAUHAJZ-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](CC(N)=O)C1CC1 ZINC001490383442 918902539 /nfs/dbraw/zinc/90/25/39/918902539.db2.gz PTZWOQAQKMLWNJ-ZDUSSCGKSA-N 2 0 296.415 -0.073 20 0 CBADRP CNC(=O)[C@@H](C)[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001490416021 918903286 /nfs/dbraw/zinc/90/32/86/918903286.db2.gz IHTUQJSWXQVIEJ-GFCCVEGCSA-N 2 0 298.431 -0.005 20 0 CBADRP CN1CC[C@@H]([NH2+][C@H](CNC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001490699298 918959185 /nfs/dbraw/zinc/95/91/85/918959185.db2.gz DIJSYOTZQBBPAL-CHWSQXEVSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]([NH2+]CCO)C1CC1)[NH+](C)C ZINC001490713709 918964398 /nfs/dbraw/zinc/96/43/98/918964398.db2.gz OLAHLUIYNVKVBO-RYUDHWBXSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001490923303 918990240 /nfs/dbraw/zinc/99/02/40/918990240.db2.gz ZNXXODCURDBVDG-GMTAPVOTSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C1)C(N)=O ZINC001490948225 918994413 /nfs/dbraw/zinc/99/44/13/918994413.db2.gz LANXGQWBDLBZFB-SRVKXCTJSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001491025563 919010708 /nfs/dbraw/zinc/01/07/08/919010708.db2.gz AWBFQXGHHOLFDZ-NDBYEHHHSA-N 2 0 296.415 -0.029 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001491318713 919112532 /nfs/dbraw/zinc/11/25/32/919112532.db2.gz WVUNKYCBNSQWPR-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001491367744 919122541 /nfs/dbraw/zinc/12/25/41/919122541.db2.gz WEQITASNMPYIMQ-UHFFFAOYSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+](C)CCC(=O)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001491529627 919195322 /nfs/dbraw/zinc/19/53/22/919195322.db2.gz WETHLZCPLUYYDX-UHFFFAOYSA-N 2 0 284.404 -0.488 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001491642001 919242767 /nfs/dbraw/zinc/24/27/67/919242767.db2.gz RZJIUKPJPFTQTP-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCCNC1=O ZINC001491684570 919250376 /nfs/dbraw/zinc/25/03/76/919250376.db2.gz WOCUVFKYZPVXLV-VXGBXAGGSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CCCO)C2)C1 ZINC001491752160 919268222 /nfs/dbraw/zinc/26/82/22/919268222.db2.gz QZJIIGRAVXAQQN-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP O=C(N1CC[C@H]([NH2+]CCOCCO)C1)C12CC[NH+](CC1)C2 ZINC001491765731 919271195 /nfs/dbraw/zinc/27/11/95/919271195.db2.gz YOPIRGBWZKBAMT-ZDUSSCGKSA-N 2 0 297.399 -0.718 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001491813985 919285768 /nfs/dbraw/zinc/28/57/68/919285768.db2.gz FSVWAWFDQVLBFL-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@H](CCNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CCO ZINC001492074904 919320963 /nfs/dbraw/zinc/32/09/63/919320963.db2.gz AZNZPKSANJTZQT-LLVKDONJSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001492128461 919326428 /nfs/dbraw/zinc/32/64/28/919326428.db2.gz UNAIBTULTCKZKB-VXGBXAGGSA-N 2 0 294.403 -0.249 20 0 CBADRP NC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001492177143 919329078 /nfs/dbraw/zinc/32/90/78/919329078.db2.gz DGROQOGDFJGFKV-ZDUSSCGKSA-N 2 0 296.415 -0.072 20 0 CBADRP CN1CCO[C@H](C(=O)NCC[N@H+](C)C[C@@H]2CCCOC2)C1 ZINC001492220156 919361893 /nfs/dbraw/zinc/36/18/93/919361893.db2.gz DNMQWMAYDZGJGN-KBPBESRZSA-N 2 0 299.415 -0.208 20 0 CBADRP Cn1cc(CC[N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)cn1 ZINC001492853133 919436192 /nfs/dbraw/zinc/43/61/92/919436192.db2.gz AJFZETOCBOGHAN-CQSZACIVSA-N 2 0 293.415 -0.038 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493232591 919509643 /nfs/dbraw/zinc/50/96/43/919509643.db2.gz GCISHMXTVOMGEX-WDEREUQCSA-N 2 0 270.377 -0.750 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001493262294 919512748 /nfs/dbraw/zinc/51/27/48/919512748.db2.gz FQMUHJRPYKXZRO-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001493654286 919596531 /nfs/dbraw/zinc/59/65/31/919596531.db2.gz VHZDAADXNOCIDT-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)C[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001493741624 919611499 /nfs/dbraw/zinc/61/14/99/919611499.db2.gz GUKORNNOKGBGNS-UHFFFAOYSA-N 2 0 284.404 -0.488 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)CCNCc1ncnn1C ZINC001493754018 919615526 /nfs/dbraw/zinc/61/55/26/919615526.db2.gz XRNBGPAJWKPULM-UHFFFAOYSA-N 2 0 282.392 -0.295 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC[C@H]1CC[N@@H+](CCO)C1 ZINC001494078134 919654144 /nfs/dbraw/zinc/65/41/44/919654144.db2.gz GCKHPJXQZSEJMS-ZDUSSCGKSA-N 2 0 269.389 -0.097 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001494121763 919658047 /nfs/dbraw/zinc/65/80/47/919658047.db2.gz GWLXXPDVPBGOFE-RYUDHWBXSA-N 2 0 282.388 -0.654 20 0 CBADRP CN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](CCO)C1 ZINC001494841451 919802013 /nfs/dbraw/zinc/80/20/13/919802013.db2.gz HTOWNNMLAMZBEI-GFCCVEGCSA-N 2 0 257.378 -0.147 20 0 CBADRP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001495095929 919861187 /nfs/dbraw/zinc/86/11/87/919861187.db2.gz ZMQRFFKBSQYADH-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001495095926 919861368 /nfs/dbraw/zinc/86/13/68/919861368.db2.gz ZMQRFFKBSQYADH-GHMZBOCLSA-N 2 0 270.377 -0.702 20 0 CBADRP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)C[NH+]1CCCC1 ZINC001495109611 919863447 /nfs/dbraw/zinc/86/34/47/919863447.db2.gz STTSHIKFEXRNAO-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC ZINC001495106053 919864807 /nfs/dbraw/zinc/86/48/07/919864807.db2.gz DXZGXGBIGYEOCL-QWRGUYRKSA-N 2 0 270.377 -0.832 20 0 CBADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC ZINC001495106048 919866228 /nfs/dbraw/zinc/86/62/28/919866228.db2.gz DXZGXGBIGYEOCL-GHMZBOCLSA-N 2 0 270.377 -0.832 20 0 CBADRP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC ZINC001495106055 919866772 /nfs/dbraw/zinc/86/67/72/919866772.db2.gz DXZGXGBIGYEOCL-WDEREUQCSA-N 2 0 270.377 -0.832 20 0 CBADRP CNC(=O)C[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001495210735 919874514 /nfs/dbraw/zinc/87/45/14/919874514.db2.gz SAOIQTFAADGKPI-UHFFFAOYSA-N 2 0 296.415 -0.153 20 0 CBADRP CNC(=O)C[NH2+]C[C@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001495302661 919886708 /nfs/dbraw/zinc/88/67/08/919886708.db2.gz YDCLYOCJDUMVLK-HNNXBMFYSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]CC(N)=O ZINC001495696422 919931740 /nfs/dbraw/zinc/93/17/40/919931740.db2.gz MLINOXLZBWKOFV-NSHDSACASA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001496083253 920022122 /nfs/dbraw/zinc/02/21/22/920022122.db2.gz WEJAENAPYPDVLE-MNOVXSKESA-N 2 0 284.404 -0.219 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH]cn1 ZINC001496084883 920022369 /nfs/dbraw/zinc/02/23/69/920022369.db2.gz YOFCFCIXACAYTD-WDEREUQCSA-N 2 0 295.387 -0.087 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001496082247 920024462 /nfs/dbraw/zinc/02/44/62/920024462.db2.gz SHIVXQQZBMPSEN-RYUDHWBXSA-N 2 0 296.415 -0.204 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001496145932 920034599 /nfs/dbraw/zinc/03/45/99/920034599.db2.gz VQQVUJAVHUOLTR-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC(N)=O ZINC001496560853 920088276 /nfs/dbraw/zinc/08/82/76/920088276.db2.gz HGYDYPLDJKTQNV-QWHCGFSZSA-N 2 0 296.415 -0.456 20 0 CBADRP C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001497004064 920202334 /nfs/dbraw/zinc/20/23/34/920202334.db2.gz UUJYKCCWOGZLNF-QWHCGFSZSA-N 2 0 299.415 -0.690 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CC2CC2)CC1 ZINC001497047278 920227084 /nfs/dbraw/zinc/22/70/84/920227084.db2.gz MWDFGIZYXKFZFZ-ZDUSSCGKSA-N 2 0 269.389 -0.195 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC2CC2)C1 ZINC001497113222 920248602 /nfs/dbraw/zinc/24/86/02/920248602.db2.gz IEZLIQPHDAEBPR-NEPJUHHUSA-N 2 0 255.362 -0.585 20 0 CBADRP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001497154526 920263901 /nfs/dbraw/zinc/26/39/01/920263901.db2.gz LDURYXBJWACMJZ-VHSXEESVSA-N 2 0 256.350 -0.950 20 0 CBADRP CCN(CC[NH2+]CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497485462 920312136 /nfs/dbraw/zinc/31/21/36/920312136.db2.gz CWRZJEZVNVNQBN-GFCCVEGCSA-N 2 0 257.378 -0.241 20 0 CBADRP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001497548142 920328676 /nfs/dbraw/zinc/32/86/76/920328676.db2.gz IQVZDDNPBFUQSR-WZQADMAKSA-N 2 0 268.361 -0.784 20 0 CBADRP CNC(=O)C[NH2+]C/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001497692733 920370769 /nfs/dbraw/zinc/37/07/69/920370769.db2.gz RPKVWHRDLWJJCP-ARJAWSKDSA-N 2 0 296.415 -0.274 20 0 CBADRP CC[C@H]([NH2+]C/C=C/CNC(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001497729711 920375947 /nfs/dbraw/zinc/37/59/47/920375947.db2.gz HVDJULYCJVBXAJ-DRHCNIFCSA-N 2 0 296.415 -0.146 20 0 CBADRP C[C@H](C[NH2+]CCCO)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497816849 920402669 /nfs/dbraw/zinc/40/26/69/920402669.db2.gz FEKDOSXVVQXLEY-DGCLKSJQSA-N 2 0 269.389 -0.195 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001497909883 920421038 /nfs/dbraw/zinc/42/10/38/920421038.db2.gz DZHRAOPEOOCYBV-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001498041995 920458661 /nfs/dbraw/zinc/45/86/61/920458661.db2.gz JHSOMWHVAMGAEP-QWRGUYRKSA-N 2 0 270.377 -0.561 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001498042786 920458761 /nfs/dbraw/zinc/45/87/61/920458761.db2.gz AMOBLWKLOZWIOQ-CMPLNLGQSA-N 2 0 282.388 -0.832 20 0 CBADRP C[C@@H](C[NH2+]CCO)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001498042801 920459350 /nfs/dbraw/zinc/45/93/50/920459350.db2.gz BARYHJOBVFBLJD-JQWIXIFHSA-N 2 0 255.362 -0.585 20 0 CBADRP CC[C@H]([NH2+]C[C@H](C)NC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001498053444 920463400 /nfs/dbraw/zinc/46/34/00/920463400.db2.gz NIJXKWLKXJYYIJ-JQWIXIFHSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[C@H]([NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)C(N)=O ZINC001498109161 920482493 /nfs/dbraw/zinc/48/24/93/920482493.db2.gz JEUCQHRVGGAZQQ-UWVGGRQHSA-N 2 0 258.366 -0.704 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001498118634 920490186 /nfs/dbraw/zinc/49/01/86/920490186.db2.gz UHQYKRKMHNWMST-RYUDHWBXSA-N 2 0 294.403 -0.249 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001498133131 920492320 /nfs/dbraw/zinc/49/23/20/920492320.db2.gz CDWIBWMQOGXVHJ-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP CCC[N@H+](C)CC(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001498328008 920550334 /nfs/dbraw/zinc/55/03/34/920550334.db2.gz WHIOSTHCFXETIG-UHFFFAOYSA-N 2 0 284.404 -0.393 20 0 CBADRP CCN1CC[C@H]([N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001498394686 920574079 /nfs/dbraw/zinc/57/40/79/920574079.db2.gz LGHOVPONOSHFKI-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCC(=O)NC1CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001498389782 920575285 /nfs/dbraw/zinc/57/52/85/920575285.db2.gz ARSUZNFQDUMUSH-UHFFFAOYSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)CCCCC(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001498390894 920575397 /nfs/dbraw/zinc/57/53/97/920575397.db2.gz MDRDTROBQAEKME-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H]([NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001498561237 920608717 /nfs/dbraw/zinc/60/87/17/920608717.db2.gz XWMPAGOWOMUJDP-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]([NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001498568826 920608976 /nfs/dbraw/zinc/60/89/76/920608976.db2.gz AABAUUGVKQVUOE-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1CN(C(=O)CC[NH+](C)C)C1 ZINC001498694937 920628640 /nfs/dbraw/zinc/62/86/40/920628640.db2.gz PSGWKMGYROBITP-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@H]([NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1)C(N)=O ZINC001498817017 920642167 /nfs/dbraw/zinc/64/21/67/920642167.db2.gz JMXCQVQCNVTKNE-GWCFXTLKSA-N 2 0 296.415 -0.314 20 0 CBADRP CC[C@H](C(=O)NCC1([NH2+][C@H]2CCCNC2=O)CC1)[NH+](C)C ZINC001499263411 920727850 /nfs/dbraw/zinc/72/78/50/920727850.db2.gz FRNRBYSDJAOPIO-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001499264095 920730875 /nfs/dbraw/zinc/73/08/75/920730875.db2.gz RTRGMKVFQRIFTA-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP CCN1CC[C@@H]([NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)C1=O ZINC001499336505 920741525 /nfs/dbraw/zinc/74/15/25/920741525.db2.gz VXNISUHXBCHVHJ-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CCCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001499448012 920746810 /nfs/dbraw/zinc/74/68/10/920746810.db2.gz CXGPFVPXPGWITL-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC1([NH2+][C@H]2CCCNC2=O)CC1 ZINC001499447973 920747665 /nfs/dbraw/zinc/74/76/65/920747665.db2.gz BXFRUOYHFPNKLP-LBPRGKRZSA-N 2 0 294.399 -0.401 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001499420445 920748916 /nfs/dbraw/zinc/74/89/16/920748916.db2.gz FBRDEHYRYJZWEW-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@]1(C[NH2+]CC(N)=O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001500402448 920830154 /nfs/dbraw/zinc/83/01/54/920830154.db2.gz SNNPCFBIJJFMSL-CQSZACIVSA-N 2 0 282.388 -0.604 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001500373993 920831446 /nfs/dbraw/zinc/83/14/46/920831446.db2.gz DCEZUMQLTDLWFG-ZDUSSCGKSA-N 2 0 270.377 -0.748 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+](C[C@H]2CCOC2)C1 ZINC001500721560 920865208 /nfs/dbraw/zinc/86/52/08/920865208.db2.gz AJVLGGVSEMMDAW-UKRRQHHQSA-N 2 0 299.415 -0.472 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001500721558 920867340 /nfs/dbraw/zinc/86/73/40/920867340.db2.gz AJVLGGVSEMMDAW-DZGCQCFKSA-N 2 0 299.415 -0.472 20 0 CBADRP CCOCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001500763240 920877519 /nfs/dbraw/zinc/87/75/19/920877519.db2.gz UCAIOBQLRONHEG-HIFRSBDPSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001501136024 920953591 /nfs/dbraw/zinc/95/35/91/920953591.db2.gz OLPNZGJYYHWYCP-WDEREUQCSA-N 2 0 270.377 -0.893 20 0 CBADRP CC(C)[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001501443074 921009006 /nfs/dbraw/zinc/00/90/06/921009006.db2.gz KDVDXEHEKPPALA-LBPRGKRZSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)C[C@H]1C ZINC001507335809 921811800 /nfs/dbraw/zinc/81/18/00/921811800.db2.gz ZBHGVYHXADQHCE-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(N)=O)[C@@H]2C1 ZINC001507359542 921813293 /nfs/dbraw/zinc/81/32/93/921813293.db2.gz DFRZCPYGOHCQLI-YNEHKIRRSA-N 2 0 296.415 -0.360 20 0 CBADRP O=C(N[C@H]1CC[C@H](C[NH2+]CCO)C1)C12CC[NH+](CC1)C2 ZINC001507415320 921821547 /nfs/dbraw/zinc/82/15/47/921821547.db2.gz JQKSLOBZPHNMCU-STQMWFEESA-N 2 0 281.400 -0.051 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CCCO)CC[N@@H+]1C ZINC001507478403 921843497 /nfs/dbraw/zinc/84/34/97/921843497.db2.gz IDXSHHCTLYEJOM-JHJVBQTASA-N 2 0 287.404 -0.882 20 0 CBADRP Cc1ncoc1C[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001507502580 921859112 /nfs/dbraw/zinc/85/91/12/921859112.db2.gz LARANRIZSSWFDU-LBPRGKRZSA-N 2 0 298.387 -0.156 20 0 CBADRP CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001507562170 921867005 /nfs/dbraw/zinc/86/70/05/921867005.db2.gz JQXDZXFBPNXSBW-NWDGAFQWSA-N 2 0 257.378 -0.243 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001507726799 921892190 /nfs/dbraw/zinc/89/21/90/921892190.db2.gz NBVLFVUJPUEJTN-OLZOCXBDSA-N 2 0 287.404 -0.664 20 0 CBADRP CN(C(=O)CC[NH+](C)C)C1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001508136678 921915582 /nfs/dbraw/zinc/91/55/82/921915582.db2.gz ZVNHKOWRPRBDDL-MCIGGMRASA-N 2 0 282.388 -0.594 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@]23CC[NH2+]C3)=NO1 ZINC001514547559 922201474 /nfs/dbraw/zinc/20/14/74/922201474.db2.gz GLZUDULJUVBOAB-JOYOIKCWSA-N 2 0 252.318 -0.556 20 0 CBADRP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C[C@H]1COCC[NH2+]1 ZINC001514531127 922203101 /nfs/dbraw/zinc/20/31/01/922203101.db2.gz OSHYWWZITXNKPP-GMXVVIOVSA-N 2 0 253.346 -0.295 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001514592116 922206452 /nfs/dbraw/zinc/20/64/52/922206452.db2.gz AVCVVEDTQWRKQF-IRCOFANPSA-N 2 0 253.346 -0.426 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)[C@H]([NH3+])CO)C[C@@H]2C1 ZINC001514681349 922212087 /nfs/dbraw/zinc/21/20/87/922212087.db2.gz OGDDVQWDGWQLCI-NNYUYHANSA-N 2 0 255.362 -0.505 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)[C@@H](CO)C1 ZINC001515357594 922232940 /nfs/dbraw/zinc/23/29/40/922232940.db2.gz HAGPPAAVYRERFX-VWYCJHECSA-N 2 0 255.362 -0.505 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)C[C@H]1COCC[NH2+]1 ZINC001515496311 922235898 /nfs/dbraw/zinc/23/58/98/922235898.db2.gz JGZGFAPHTAPSCB-LBPRGKRZSA-N 2 0 255.362 -0.177 20 0 CBADRP [NH3+][C@H]1C[C@H](NC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC001515641022 922238180 /nfs/dbraw/zinc/23/81/80/922238180.db2.gz ROQDBNCISPFIBG-XYPYZODXSA-N 2 0 263.345 -0.432 20 0 CBADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]([NH3+])CO ZINC001521415507 922353476 /nfs/dbraw/zinc/35/34/76/922353476.db2.gz VGUGDRFEBKGICR-GFCCVEGCSA-N 2 0 251.330 -0.316 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCCCC[NH+](C)C ZINC001521439001 922356996 /nfs/dbraw/zinc/35/69/96/922356996.db2.gz JXZXCZWDGWTKCT-SNVBAGLBSA-N 2 0 259.350 -0.275 20 0 CBADRP C[NH+]1CCC(CCNC(=O)[C@@H]([NH3+])C(C)(C)O)CC1 ZINC001521464862 922358925 /nfs/dbraw/zinc/35/89/25/922358925.db2.gz WEFNEQSOCVUZOE-LLVKDONJSA-N 2 0 257.378 -0.067 20 0 CBADRP C[NH+]1CCN(CCNC(=O)C2=CCC[NH2+]CC2)CC1 ZINC001521504621 922359513 /nfs/dbraw/zinc/35/95/13/922359513.db2.gz ZWGCEBHQTDKZEP-UHFFFAOYSA-N 2 0 266.389 -0.340 20 0 CBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H](O)C[NH3+])C1 ZINC001521496154 922359611 /nfs/dbraw/zinc/35/96/11/922359611.db2.gz PJDSDKZFFOJEQJ-NEPJUHHUSA-N 2 0 257.378 -0.114 20 0 CBADRP C[NH2+]CCN(C)C(=O)CCNC(=O)[C@H]([NH3+])C(C)C ZINC001521512788 922364407 /nfs/dbraw/zinc/36/44/07/922364407.db2.gz MGWCVEUCHNCONF-LLVKDONJSA-N 2 0 258.366 -0.846 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)[C@H]1C ZINC001521526730 922364458 /nfs/dbraw/zinc/36/44/58/922364458.db2.gz HCVJNHDRJBJDLX-GVXVVHGQSA-N 2 0 255.362 -0.300 20 0 CBADRP CN(C(=O)C[C@@]1(O)CCC[NH2+]C1)[C@@H](C[NH3+])C1CC1 ZINC001521691466 922371891 /nfs/dbraw/zinc/37/18/91/922371891.db2.gz PYKDMQFICZBREB-AAEUAGOBSA-N 2 0 255.362 -0.313 20 0 CBADRP C[NH2+]CCCN(C)C(=O)c1ccn(CCC[NH3+])n1 ZINC001521706981 922375996 /nfs/dbraw/zinc/37/59/96/922375996.db2.gz XDXGFBFQJMCPEN-UHFFFAOYSA-N 2 0 253.350 -0.087 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001521740979 922377474 /nfs/dbraw/zinc/37/74/74/922377474.db2.gz RPQHWDYWYKQMBR-RYUDHWBXSA-N 2 0 266.389 -0.319 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001521919469 922390213 /nfs/dbraw/zinc/39/02/13/922390213.db2.gz QSCGGVBZLRCUJR-CYBMUJFWSA-N 2 0 284.404 -0.752 20 0 CBADRP [NH3+]Cc1ccc(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)o1 ZINC001521956575 922391102 /nfs/dbraw/zinc/39/11/02/922391102.db2.gz QFSYNUMGRFOSCN-QMMMGPOBSA-N 2 0 251.286 -0.401 20 0 CBADRP [NH3+]C[C@H](O)CNC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC001522028339 922395105 /nfs/dbraw/zinc/39/51/05/922395105.db2.gz JIBRAHXYYIHGBG-QMMMGPOBSA-N 2 0 255.343 -0.557 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC001521974194 922395680 /nfs/dbraw/zinc/39/56/80/922395680.db2.gz NJURCUDKSVLKHW-QWRGUYRKSA-N 2 0 265.357 -0.377 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001522279520 922402653 /nfs/dbraw/zinc/40/26/53/922402653.db2.gz QBUZQLUUNIKRAY-MXWKQRLJSA-N 2 0 268.361 -0.868 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC001522247631 922404331 /nfs/dbraw/zinc/40/43/31/922404331.db2.gz DJZSKRIUVGOQPM-SDDRHHMPSA-N 2 0 255.362 -0.444 20 0 CBADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001522311783 922405845 /nfs/dbraw/zinc/40/58/45/922405845.db2.gz NQDUBRCGQSBTMJ-OPQQBVKSSA-N 2 0 268.361 -0.255 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001522279525 922406473 /nfs/dbraw/zinc/40/64/73/922406473.db2.gz QBUZQLUUNIKRAY-VWYCJHECSA-N 2 0 268.361 -0.868 20 0 CBADRP O=C([C@H]1C[NH2+]CCC1(F)F)N1CC[NH2+]C[C@@H]1CO ZINC001522419571 922411912 /nfs/dbraw/zinc/41/19/12/922411912.db2.gz YTJSYGKGKXJEFO-RKDXNWHRSA-N 2 0 263.288 -0.976 20 0 CBADRP COC[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2CCC[NH2+][C@H]2C1(C)C ZINC001522432212 922416349 /nfs/dbraw/zinc/41/63/49/922416349.db2.gz SNTRSOVPHKQHQY-UKKRHICBSA-N 2 0 255.362 -0.147 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCCC[C@H]1C[NH3+] ZINC001522444896 922416199 /nfs/dbraw/zinc/41/61/99/922416199.db2.gz IFJCNKVFBHLYFH-AGIUHOORSA-N 2 0 266.389 -0.286 20 0 CBADRP COC[C@H]([NH3+])C(=O)N[C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C ZINC001522432210 922417376 /nfs/dbraw/zinc/41/73/76/922417376.db2.gz SNTRSOVPHKQHQY-LMLFDSFASA-N 2 0 255.362 -0.147 20 0 CBADRP O=C(C[NH+]1CCCC1)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001522658911 922499058 /nfs/dbraw/zinc/49/90/58/922499058.db2.gz UQSMTEUGAMXPQP-UHFFFAOYSA-N 2 0 294.399 -0.590 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)[C@H](N)CC[NH+](C)C ZINC001522823511 922527811 /nfs/dbraw/zinc/52/78/11/922527811.db2.gz CBGDADFNWLDHMJ-NNYUYHANSA-N 2 0 256.394 -0.137 20 0 CBADRP COc1cccc([C@H]([NH3+])C(=O)N2CCNCC[NH2+]CC2)c1 ZINC001522997684 922554399 /nfs/dbraw/zinc/55/43/99/922554399.db2.gz DVQUBBZGVDULQT-AWEZNQCLSA-N 2 0 292.383 -0.284 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)C1 ZINC001523009507 922558101 /nfs/dbraw/zinc/55/81/01/922558101.db2.gz GVMRRGNXJNDQEJ-CKYFFXLPSA-N 2 0 259.325 -0.754 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001523001015 922558942 /nfs/dbraw/zinc/55/89/42/922558942.db2.gz ZWDDVTJFMHCXGZ-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC001523026397 922560934 /nfs/dbraw/zinc/56/09/34/922560934.db2.gz ANKUZNJIQWZCFC-NEPJUHHUSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)[C@H]2[NH2+]CC23CCCC3)C1 ZINC001523011028 922561613 /nfs/dbraw/zinc/56/16/13/922561613.db2.gz YZLNXQVKDDQEBO-RISCZKNCSA-N 2 0 267.373 -0.169 20 0 CBADRP O=C(N1CCC2(CC1)C[NH2+]CCO2)C12CC(C1)C[NH2+]2 ZINC001523168603 922573472 /nfs/dbraw/zinc/57/34/72/922573472.db2.gz GGFGRQPOTUDSGO-UHFFFAOYSA-N 2 0 265.357 -0.281 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C1CC[NH+](C)CC1 ZINC001523581501 922599498 /nfs/dbraw/zinc/59/94/98/922599498.db2.gz QIXOUWPCPQRMCK-LBPRGKRZSA-N 2 0 255.362 -0.225 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC001523605141 922599919 /nfs/dbraw/zinc/59/99/19/922599919.db2.gz DZPFHGFJIKSQGY-AXFHLTTASA-N 2 0 254.378 -0.349 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@H]1C[N@H+](C)CCN1C ZINC001524028326 922613206 /nfs/dbraw/zinc/61/32/06/922613206.db2.gz ARCIGYJBRAMBST-NJMOYASZSA-N 2 0 266.389 -0.513 20 0 CBADRP C[C@H](NC(=O)C1(C)C[NH2+]C1)[C@@H]1C[N@H+](C)CCN1C ZINC001524028517 922613718 /nfs/dbraw/zinc/61/37/18/922613718.db2.gz CCWSVBGEVQJXBH-QWRGUYRKSA-N 2 0 254.378 -0.654 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@@H]1C[N@H+](C)CCN1C ZINC001524028324 922614505 /nfs/dbraw/zinc/61/45/05/922614505.db2.gz ARCIGYJBRAMBST-KVSVUVNWSA-N 2 0 266.389 -0.513 20 0 CBADRP [NH3+]C1(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC001524008463 922614352 /nfs/dbraw/zinc/61/43/52/922614352.db2.gz HFDMRLSRMRJIEF-GHMZBOCLSA-N 2 0 253.346 -0.465 20 0 CBADRP C[C@H](NC(=O)[C@H]([NH3+])CC1CC1)[C@H]1C[N@H+](C)CCN1C ZINC001524028835 922615005 /nfs/dbraw/zinc/61/50/05/922615005.db2.gz FHGJDZLZKYKNIC-CYZMBNFOSA-N 2 0 268.405 -0.136 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001524028542 922615540 /nfs/dbraw/zinc/61/55/40/922615540.db2.gz CFKFMTFTWWYTQB-TUAOUCFPSA-N 2 0 256.394 -0.408 20 0 CBADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCN1C[C@H]2C ZINC001527708787 922767440 /nfs/dbraw/zinc/76/74/40/922767440.db2.gz ZWMGRCRULAVZLI-OLZOCXBDSA-N 2 0 268.405 -0.169 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC2CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001530649072 922955437 /nfs/dbraw/zinc/95/54/37/922955437.db2.gz QUPUJUZHDCTNHD-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)CCC(=O)NC/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001533585853 923111515 /nfs/dbraw/zinc/11/15/15/923111515.db2.gz KBIKUPMLNQZZJV-MUBLQREKSA-N 2 0 296.415 -0.179 20 0 CBADRP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C[C@H](O)C[NH3+])C[C@@H](C)O1 ZINC001548551049 923375166 /nfs/dbraw/zinc/37/51/66/923375166.db2.gz LROXOPRXOHQXAO-MQYQWHSLSA-N 2 0 299.415 -0.204 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1C[NH2+]CCN1C)C(C)(C)C[NH+](C)C ZINC001548553206 923375487 /nfs/dbraw/zinc/37/54/87/923375487.db2.gz QBBGUGJJOWLWSK-NEPJUHHUSA-N 2 0 270.421 -0.018 20 0 CBADRP C[C@H](NC(=O)[C@@H]1C[NH2+]CCN1C)C(C)(C)C[NH+](C)C ZINC001548553218 923376075 /nfs/dbraw/zinc/37/60/75/923376075.db2.gz QBBGUGJJOWLWSK-RYUDHWBXSA-N 2 0 270.421 -0.018 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001548554139 923376409 /nfs/dbraw/zinc/37/64/09/923376409.db2.gz RNXJDFIDXGIVAM-DGAVXFQQSA-N 2 0 299.415 -0.740 20 0 CBADRP O=C(N1CCC2(CC[NH2+]C2)CC1)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548557267 923378033 /nfs/dbraw/zinc/37/80/33/923378033.db2.gz UTBPOPNORYZTCS-DOMZBBRYSA-N 2 0 279.384 -0.033 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548556553 923378289 /nfs/dbraw/zinc/37/82/89/923378289.db2.gz DVYFKZJLMVPRIY-DCQANWLSSA-N 2 0 253.346 -0.521 20 0 CBADRP C[NH2+]C1CC(C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])C1 ZINC001548555053 923379156 /nfs/dbraw/zinc/37/91/56/923379156.db2.gz IOBHDKACDLIFCD-MMVSWEMESA-N 2 0 255.362 -0.051 20 0 CBADRP C[NH2+]C1CC(C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC001548556904 923379186 /nfs/dbraw/zinc/37/91/86/923379186.db2.gz GJMFJPNPUNGTRR-WXRRBKDZSA-N 2 0 294.399 -0.593 20 0 CBADRP O=C(N1CC[C@]2(CC[NH2+]C2)C1)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548555556 923379318 /nfs/dbraw/zinc/37/93/18/923379318.db2.gz QQZQEACQTZBRMD-XBFCOCLRSA-N 2 0 265.357 -0.423 20 0 CBADRP [NH3+][C@H]1CCC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCO3)C1 ZINC001548557331 923379336 /nfs/dbraw/zinc/37/93/36/923379336.db2.gz KQWJYNSTOFAFDI-BLFANLJRSA-N 2 0 253.346 -0.249 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC001548554735 923380975 /nfs/dbraw/zinc/38/09/75/923380975.db2.gz JQISHXGXWYGWKV-VXGBXAGGSA-N 2 0 252.362 -0.757 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001548558318 923382052 /nfs/dbraw/zinc/38/20/52/923382052.db2.gz HSGKFPGGSGWTEP-MELADBBJSA-N 2 0 280.416 -0.262 20 0 CBADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CCO3)C1 ZINC001548559020 923383437 /nfs/dbraw/zinc/38/34/37/923383437.db2.gz SUYYAWGGJWNKSA-BZPMIXESSA-N 2 0 267.373 -0.048 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001548557948 923384237 /nfs/dbraw/zinc/38/42/37/923384237.db2.gz QTQCVWINDGLRHB-WZRBSPASSA-N 2 0 255.362 -0.395 20 0 CBADRP [NH3+]Cc1ncc(C(=O)NCC[C@@H]2CSCC[NH2+]2)cn1 ZINC001548564228 923385582 /nfs/dbraw/zinc/38/55/82/923385582.db2.gz CGQRIBUONINYPF-SNVBAGLBSA-N 2 0 281.385 -0.240 20 0 CBADRP COc1cccc([C@H]([NH3+])C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)c1 ZINC001548569155 923390901 /nfs/dbraw/zinc/39/09/01/923390901.db2.gz MBOODQYCCCMJDB-AAEUAGOBSA-N 2 0 291.351 -0.058 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCO3)C[C@H]1C[NH3+] ZINC001548566695 923391295 /nfs/dbraw/zinc/39/12/95/923391295.db2.gz YZUSVOBUFDQURE-BYNQJWBRSA-N 2 0 283.372 -0.813 20 0 CBADRP [NH3+]C1(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)Cc2ccccc2C1 ZINC001548569675 923391852 /nfs/dbraw/zinc/39/18/52/923391852.db2.gz QUYFUPNQJPIJNK-ZDUSSCGKSA-N 2 0 287.363 -0.270 20 0 CBADRP CC1(C)CN(C(=O)C[C@@H]2C[NH2+]CCO2)CC2(C[NH2+]C2)O1 ZINC001548575784 923399027 /nfs/dbraw/zinc/39/90/27/923399027.db2.gz KVOPWMQGSCIOQM-LLVKDONJSA-N 2 0 283.372 -0.656 20 0 CBADRP [NH3+]C[C@@]1(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)CCCOC1 ZINC001548575185 923399353 /nfs/dbraw/zinc/39/93/53/923399353.db2.gz ZABGGRZALOROSC-OCCSQVGLSA-N 2 0 285.388 -0.685 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)c1cccc2c1CC[NH2+]C2 ZINC001548575287 923399679 /nfs/dbraw/zinc/39/96/79/923399679.db2.gz AGYSTJJVPCOBRQ-LBPRGKRZSA-N 2 0 277.368 -0.015 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)C1([NH3+])Cc2ccccc2C1 ZINC001548575567 923399915 /nfs/dbraw/zinc/39/99/15/923399915.db2.gz FGSRVURNWHQEJL-ZDUSSCGKSA-N 2 0 277.368 -0.479 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548575580 923400195 /nfs/dbraw/zinc/40/01/95/923400195.db2.gz FTGCQZPEPSQHGS-WDEREUQCSA-N 2 0 285.388 -0.818 20 0 CBADRP CC1(C)CN(C(=O)[C@H]2CCC[NH2+]2)CC2(C[NH2+]C2)O1 ZINC001548575970 923400644 /nfs/dbraw/zinc/40/06/44/923400644.db2.gz NVJQIJXWJMZODV-SNVBAGLBSA-N 2 0 253.346 -0.282 20 0 CBADRP CC1(C)CN(C(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC2(C[NH2+]C2)O1 ZINC001548575399 923400549 /nfs/dbraw/zinc/40/05/49/923400549.db2.gz DJYRSXCIICJGEC-GARJFASQSA-N 2 0 265.357 -0.426 20 0 CBADRP CC1(C)CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC2(C[NH2+]C2)O1 ZINC001548576837 923403364 /nfs/dbraw/zinc/40/33/64/923403364.db2.gz UVWRVVFHHYKEGN-VHSXEESVSA-N 2 0 269.345 -0.918 20 0 CBADRP CC1(C)CN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC2(C[NH2+]C2)O1 ZINC001548580098 923404444 /nfs/dbraw/zinc/40/44/44/923404444.db2.gz VVCFETATWABOEC-FZMZJTMJSA-N 2 0 279.384 -0.035 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548578504 923404656 /nfs/dbraw/zinc/40/46/56/923404656.db2.gz MXDZDPHXFCRDMF-UWVGGRQHSA-N 2 0 255.362 -0.051 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC(OC3C[NH2+]C3)CC2)=NO1 ZINC001548588766 923405813 /nfs/dbraw/zinc/40/58/13/923405813.db2.gz YNHJWXKLIHMXSN-JTQLQIEISA-N 2 0 282.344 -0.931 20 0 CBADRP [NH3+]C[C@@]1(C(=O)N2CCC(OC3C[NH2+]C3)CC2)CCCOC1 ZINC001548587306 923407668 /nfs/dbraw/zinc/40/76/68/923407668.db2.gz HJBBYADMSMECIF-HNNXBMFYSA-N 2 0 297.399 -0.279 20 0 CBADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCC(OC2C[NH2+]C2)CC1 ZINC001548589474 923408189 /nfs/dbraw/zinc/40/81/89/923408189.db2.gz DIWZYGHRGAXZMS-ZFWWWQNUSA-N 2 0 279.384 -0.035 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC001548643104 923420368 /nfs/dbraw/zinc/42/03/68/923420368.db2.gz AJYJOODQNXZRFI-VHDGCEQUSA-N 2 0 292.427 -0.025 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)C1 ZINC001548642748 923420875 /nfs/dbraw/zinc/42/08/75/923420875.db2.gz GPLFLEGSRMPEIV-IHRRRGAJSA-N 2 0 296.415 -0.788 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2C[C@H]3C)C1 ZINC001548642750 923422686 /nfs/dbraw/zinc/42/26/86/923422686.db2.gz GPLFLEGSRMPEIV-RDBSUJKOSA-N 2 0 296.415 -0.788 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C)[NH+](C)C1CC1 ZINC001548640228 923423757 /nfs/dbraw/zinc/42/37/57/923423757.db2.gz PITXVFDAXWFECC-YRGRVCCFSA-N 2 0 280.416 -0.026 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[NH+]2CCN1C[C@@H]2C ZINC001548667431 923436487 /nfs/dbraw/zinc/43/64/87/923436487.db2.gz WBJLBEOHBVAIDB-PAPYEOQZSA-N 2 0 292.427 -0.026 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC001548699355 923457041 /nfs/dbraw/zinc/45/70/41/923457041.db2.gz CCUOJHAZYRHCSV-STQMWFEESA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC001548699345 923460265 /nfs/dbraw/zinc/46/02/65/923460265.db2.gz CCUOJHAZYRHCSV-CHWSQXEVSA-N 2 0 280.416 -0.073 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)C1 ZINC001548750680 923494399 /nfs/dbraw/zinc/49/43/99/923494399.db2.gz NRMJVIFIXHHFBJ-HNNXBMFYSA-N 2 0 298.431 -0.995 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)CC3(C[NH3+])CC3)C[C@H]2[NH3+])cn1 ZINC001548945430 923514648 /nfs/dbraw/zinc/51/46/48/923514648.db2.gz PLORYNJCVCKUTA-NWDGAFQWSA-N 2 0 277.372 -0.198 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@H]([NH3+])C3CCC3)C[C@@H]2[NH3+])cn1 ZINC001548944772 923514758 /nfs/dbraw/zinc/51/47/58/923514758.db2.gz LBSDFCZYQZDJIL-RWMBFGLXSA-N 2 0 277.372 -0.199 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)C[NH+](C)C)C[C@@H]2[NH3+])cn1 ZINC001548946736 923515948 /nfs/dbraw/zinc/51/59/48/923515948.db2.gz GTSJOOSCWQKLJE-MNOVXSKESA-N 2 0 251.334 -0.765 20 0 CBADRP CC(=O)N1CC[C@@]([NH3+])(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC001548939597 923516068 /nfs/dbraw/zinc/51/60/68/923516068.db2.gz VPDQOLFITVACQR-KBPBESRZSA-N 2 0 280.372 -0.709 20 0 CBADRP O=C(CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC001549043472 923526294 /nfs/dbraw/zinc/52/62/94/923526294.db2.gz KBOOSDPFQJJBFL-KGLIPLIRSA-N 2 0 280.416 -0.118 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549033499 923526906 /nfs/dbraw/zinc/52/69/06/923526906.db2.gz NUOHYNKPHOFVFU-ZWKOPEQDSA-N 2 0 277.372 -0.186 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1C[C@@H]([NH3+])[C@@H](c2ccccc2F)C1 ZINC001549033107 923526941 /nfs/dbraw/zinc/52/69/41/923526941.db2.gz IMQQFCZXGBCNBD-ZYHUDNBSSA-N 2 0 294.330 -0.846 20 0 CBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549045057 923533811 /nfs/dbraw/zinc/53/38/11/923533811.db2.gz SDJDECZNHMNSMG-KZZRWZIVSA-N 2 0 251.330 -0.959 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549044825 923534384 /nfs/dbraw/zinc/53/43/84/923534384.db2.gz KMCIJQGWCPPWAJ-SDDRHHMPSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+]Cc1cc(C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)ccn1 ZINC001549045130 923534884 /nfs/dbraw/zinc/53/48/84/923534884.db2.gz UYRMURZIDLWJPN-OLZOCXBDSA-N 2 0 276.340 -0.257 20 0 CBADRP O=C(CC[C@@H]1CC[NH2+]C1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549045031 923535481 /nfs/dbraw/zinc/53/54/81/923535481.db2.gz RBMBNDAMHDKQJG-AGIUHOORSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C([C@H]1CC12CC[NH2+]CC2)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549045550 923538580 /nfs/dbraw/zinc/53/85/80/923538580.db2.gz DFTNWLWUHNPAMF-UONOGXRCSA-N 2 0 292.427 -0.118 20 0 CBADRP O=C([C@@H]1C[C@@H]2C[C@@H]2[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549046265 923540519 /nfs/dbraw/zinc/54/05/19/923540519.db2.gz RAWHCOVBTJVDRW-RNJOBUHISA-N 2 0 264.373 -0.757 20 0 CBADRP [NH3+]Cc1ccc(C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)o1 ZINC001549045213 923540661 /nfs/dbraw/zinc/54/06/61/923540661.db2.gz MFDCORWWSOGEOV-QWRGUYRKSA-N 2 0 265.313 -0.059 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001549047268 923544828 /nfs/dbraw/zinc/54/48/28/923544828.db2.gz MYSIAAOLKGTHRT-MWLCHTKSSA-N 2 0 266.349 -0.362 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CCCO1 ZINC001549048297 923545480 /nfs/dbraw/zinc/54/54/80/923545480.db2.gz CFEUNOKWGMXQTN-GHMZBOCLSA-N 2 0 293.371 -0.324 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001549048698 923545644 /nfs/dbraw/zinc/54/56/44/923545644.db2.gz FONYPVKTNXOHDN-AGIUHOORSA-N 2 0 285.388 -0.295 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC001549047676 923545724 /nfs/dbraw/zinc/54/57/24/923545724.db2.gz WIDZCVZHNYMIKM-DGCLKSJQSA-N 2 0 292.387 -0.100 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001549047812 923545987 /nfs/dbraw/zinc/54/59/87/923545987.db2.gz ZQUQVZPRVCAXJJ-JBLDHEPKSA-N 2 0 280.376 -0.116 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCCC[NH2+]3)C[C@@H]2[NH3+])cn1 ZINC001549048087 923546113 /nfs/dbraw/zinc/54/61/13/923546113.db2.gz JGFJXNUBYOQBTM-AVGNSLFASA-N 2 0 277.372 -0.185 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)CCC[NH3+])C[C@H]2[NH3+])cn1 ZINC001549048000 923547134 /nfs/dbraw/zinc/54/71/34/923547134.db2.gz BFYLQJRORQWMJT-GHMZBOCLSA-N 2 0 251.334 -0.588 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001549049020 923547985 /nfs/dbraw/zinc/54/79/85/923547985.db2.gz ALLHXCCQLFRDNO-SRVKXCTJSA-N 2 0 281.360 -0.963 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3CCC[NH2+]C3)C2)nn1 ZINC001549047675 923548353 /nfs/dbraw/zinc/54/83/53/923548353.db2.gz WIDZCVZHNYMIKM-AAEUAGOBSA-N 2 0 292.387 -0.100 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)C3CC([NH3+])C3)C[C@@H]2[NH3+])cn1 ZINC001549050809 923549763 /nfs/dbraw/zinc/54/97/63/923549763.db2.gz OKFVTTCMHLTLMX-PPUYLDTBSA-N 2 0 263.345 -0.590 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C[C@@H]([NH3+])C3CC3)C[C@H]2[NH3+])cn1 ZINC001549049709 923550556 /nfs/dbraw/zinc/55/05/56/923550556.db2.gz GSXKRJGKBUQKSL-YNEHKIRRSA-N 2 0 277.372 -0.199 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)C3([NH3+])CCC3)C[C@H]2[NH3+])cn1 ZINC001549050317 923550735 /nfs/dbraw/zinc/55/07/35/923550735.db2.gz JVPPOJIIIAOYJQ-GHMZBOCLSA-N 2 0 263.345 -0.445 20 0 CBADRP C[NH2+]CCC(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001549049227 923550831 /nfs/dbraw/zinc/55/08/31/923550831.db2.gz DBLUBEJWICCVNC-QWRGUYRKSA-N 2 0 251.334 -0.717 20 0 CBADRP CC(C)(C(=O)N1CCCO[C@@H](C[NH3+])C1)N1CC[NH2+]CC1 ZINC001549075242 923552773 /nfs/dbraw/zinc/55/27/73/923552773.db2.gz OXNPONBIUPWDJW-LBPRGKRZSA-N 2 0 284.404 -0.754 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C[C@H]3COCC[NH2+]3)C[C@@H]2[NH3+])cn1 ZINC001549052824 923554850 /nfs/dbraw/zinc/55/48/50/923554850.db2.gz WWGOMVUKMHUGGQ-AVGNSLFASA-N 2 0 293.371 -0.948 20 0 CBADRP [NH3+]C[C@@]12CCC[C@@H]1CN(CC(=O)N1CC[NH2+]CC1)C2 ZINC001549113689 923557641 /nfs/dbraw/zinc/55/76/41/923557641.db2.gz OUDNMIRXIWNZIL-TZMCWYRMSA-N 2 0 266.389 -0.521 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](CCN1CC[NH2+]CC1)C2 ZINC001549117089 923558304 /nfs/dbraw/zinc/55/83/04/923558304.db2.gz PZQILGWXMNKDEG-KGLIPLIRSA-N 3 0 252.406 -0.048 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)C2 ZINC001549128728 923559238 /nfs/dbraw/zinc/55/92/38/923559238.db2.gz NRKSROUITWNCLU-BLFANLJRSA-N 2 0 253.346 -0.703 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001549124766 923559510 /nfs/dbraw/zinc/55/95/10/923559510.db2.gz ZRLONGRSHQIOPB-ZDEQEGDKSA-N 2 0 285.388 -0.295 20 0 CBADRP O=C(N1CC[C@]2(CCC[NH2+]2)C1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001549124080 923560175 /nfs/dbraw/zinc/56/01/75/923560175.db2.gz NTHQNLTURNKAKE-IACUBPJLSA-N 2 0 265.357 -0.423 20 0 CBADRP O=C([C@H]1CCC[NH2+]CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549122119 923561048 /nfs/dbraw/zinc/56/10/48/923561048.db2.gz OYNUOAPHIPZQDR-KBPBESRZSA-N 2 0 280.416 -0.118 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001549130266 923561115 /nfs/dbraw/zinc/56/11/15/923561115.db2.gz YKBDYVHPUYLLMT-ZLDLUXBVSA-N 2 0 296.415 -0.327 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)C[C@@H]1COCC[NH2+]1)C2 ZINC001549129508 923561412 /nfs/dbraw/zinc/56/14/12/923561412.db2.gz SHHKYCVGGQEYEU-BZPMIXESSA-N 2 0 267.373 -0.048 20 0 CBADRP C[NH2+][C@H](C)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001549170217 923563053 /nfs/dbraw/zinc/56/30/53/923563053.db2.gz OBESZXKUOFHLPH-KOLCDFICSA-N 2 0 266.349 -0.492 20 0 CBADRP C[NH2+][C@H](C)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001549170219 923563692 /nfs/dbraw/zinc/56/36/92/923563692.db2.gz OBESZXKUOFHLPH-MWLCHTKSSA-N 2 0 266.349 -0.492 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549171983 923566574 /nfs/dbraw/zinc/56/65/74/923566574.db2.gz KEWLYHVJTFJDPO-YNEHKIRRSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]C1CC2(C1)CC(C(=O)NC[C@H]1C[NH2+]CCCO1)C2 ZINC001549172513 923566660 /nfs/dbraw/zinc/56/66/60/923566660.db2.gz YWIZOSPJJIYJOM-QBQCOZBMSA-N 2 0 267.373 -0.001 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549171980 923567745 /nfs/dbraw/zinc/56/77/45/923567745.db2.gz KEWLYHVJTFJDPO-RWMBFGLXSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+][C@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)CC[C@@H]1F ZINC001549212374 923570623 /nfs/dbraw/zinc/57/06/23/923570623.db2.gz CUBCPYKSXHBAEJ-QLWZBITOSA-N 2 0 256.325 -0.181 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)N1CC[N@@H+]2C[C@H](O)C[C@@H]2C1 ZINC001549212448 923570439 /nfs/dbraw/zinc/57/04/39/923570439.db2.gz FUWSAQSJARAZLG-CBKZZEEASA-N 2 0 280.372 -0.801 20 0 CBADRP [NH3+][C@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)CC[C@H]1F ZINC001549212371 923570816 /nfs/dbraw/zinc/57/08/16/923570816.db2.gz CUBCPYKSXHBAEJ-OWNCLDLKSA-N 2 0 256.325 -0.181 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCCC[NH2+]C1 ZINC001549286904 923576871 /nfs/dbraw/zinc/57/68/71/923576871.db2.gz CXLSHLALWFPSCF-RYUDHWBXSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1)N1CC[NH2+]CC1 ZINC001549285554 923578464 /nfs/dbraw/zinc/57/84/64/923578464.db2.gz WHBXQVICHHOBKT-CYBMUJFWSA-N 2 0 294.399 -0.638 20 0 CBADRP [NH3+][C@@H]1CCc2nc(NC(=O)C3(O)C[NH2+]C3)sc2C1 ZINC001549290989 923580294 /nfs/dbraw/zinc/58/02/94/923580294.db2.gz OGWMKCAECYTVOE-ZCFIWIBFSA-N 2 0 268.342 -0.768 20 0 CBADRP CC(C)[NH2+]CC(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549292164 923580368 /nfs/dbraw/zinc/58/03/68/923580368.db2.gz JUUKCQYAXVWGSB-VXGBXAGGSA-N 2 0 265.361 -0.329 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C[C@@H]1F)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549291086 923580570 /nfs/dbraw/zinc/58/05/70/923580570.db2.gz WNBVIRYYNROZLE-IHRRRGAJSA-N 2 0 298.406 -0.170 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)nn1 ZINC001549292592 923581767 /nfs/dbraw/zinc/58/17/67/923581767.db2.gz FRLDCQWCMOOCFG-WCQYABFASA-N 2 0 292.387 -0.159 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C[C@H]1F)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549291087 923582125 /nfs/dbraw/zinc/58/21/25/923582125.db2.gz WNBVIRYYNROZLE-MELADBBJSA-N 2 0 298.406 -0.170 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001549612856 923617576 /nfs/dbraw/zinc/61/75/76/923617576.db2.gz WBNXCDJAGJNOGC-DCAQKATOSA-N 2 0 256.350 -0.586 20 0 CBADRP C[NH+](C)[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1n1ccnn1 ZINC001549670008 923626062 /nfs/dbraw/zinc/62/60/62/923626062.db2.gz DJAZYYURGSHZFA-YNEHKIRRSA-N 2 0 292.387 -0.314 20 0 CBADRP [NH3+]CCCC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549728865 923632221 /nfs/dbraw/zinc/63/22/21/923632221.db2.gz RYWHWISIVQFSQL-FZMZJTMJSA-N 2 0 282.388 -0.512 20 0 CBADRP [NH3+]CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549728901 923632255 /nfs/dbraw/zinc/63/22/55/923632255.db2.gz SVQCCDYHLAUBFS-MFKMUULPSA-N 2 0 268.361 -0.902 20 0 CBADRP C[C@H]([NH3+])C(=O)NCc1ccncc1O[C@@H]1CC[NH2+]C1 ZINC001549729203 923632511 /nfs/dbraw/zinc/63/25/11/923632511.db2.gz PPQNYYAWCPHVOG-GXSJLCMTSA-N 2 0 264.329 -0.214 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549730400 923633025 /nfs/dbraw/zinc/63/30/25/923633025.db2.gz DKNKDHYSBZWGPT-MPKXVKKWSA-N 2 0 296.415 -0.253 20 0 CBADRP [NH3+]CCCC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549728870 923633119 /nfs/dbraw/zinc/63/31/19/923633119.db2.gz RYWHWISIVQFSQL-SMDDNHRTSA-N 2 0 282.388 -0.512 20 0 CBADRP O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001549728933 923633133 /nfs/dbraw/zinc/63/31/33/923633133.db2.gz UYFBPYORKNGKTP-OBJOEFQTSA-N 2 0 294.399 -0.641 20 0 CBADRP [NH3+]CC(=O)NCc1ccncc1O[C@@H]1CC[NH2+]C1 ZINC001549729023 923633354 /nfs/dbraw/zinc/63/33/54/923633354.db2.gz MNFHLNAXMWEWBU-SNVBAGLBSA-N 2 0 250.302 -0.603 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549728328 923633568 /nfs/dbraw/zinc/63/35/68/923633568.db2.gz OOMMEIYLJIQFIO-VHRBIJSZSA-N 2 0 296.415 -0.395 20 0 CBADRP [NH3+]C1(CC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001549729347 923633637 /nfs/dbraw/zinc/63/36/37/923633637.db2.gz BKGFJFZEEAHRDS-FZMZJTMJSA-N 2 0 294.399 -0.369 20 0 CBADRP CC(C)[NH2+]CC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549729715 923633892 /nfs/dbraw/zinc/63/38/92/923633892.db2.gz CJXFIICQQDZDRS-IUODEOHRSA-N 2 0 296.415 -0.253 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549735388 923635152 /nfs/dbraw/zinc/63/51/52/923635152.db2.gz KDMDYBFPJBKUCO-UMNHJUIQSA-N 2 0 265.361 -0.344 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](C(=O)Nc2c[nH]nc2[C@H]2CC[NH2+]C2)O1 ZINC001549737130 923635640 /nfs/dbraw/zinc/63/56/40/923635640.db2.gz OGYAKHWVDOZKPC-YWVKMMECSA-N 2 0 279.344 -0.198 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549735895 923636127 /nfs/dbraw/zinc/63/61/27/923636127.db2.gz MMKZMLUVARYTMN-VWYCJHECSA-N 2 0 265.361 -0.329 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[NH2+]C3)C[C@H]2[NH3+])c1 ZINC001549735664 923636736 /nfs/dbraw/zinc/63/67/36/923636736.db2.gz MLFVYIIUBWQULN-HBNTYKKESA-N 2 0 263.345 -0.717 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)CC3([NH3+])CC3)C[C@H]2[NH3+])c1 ZINC001549740654 923638447 /nfs/dbraw/zinc/63/84/47/923638447.db2.gz XJDHUUHKCVQQBH-NXEZZACHSA-N 2 0 263.345 -0.445 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]([NH3+])C3CCC3)C[C@@H]2[NH3+])c1 ZINC001549740362 923638877 /nfs/dbraw/zinc/63/88/77/923638877.db2.gz OYBRWQMXDFAHGX-MDZLAQPJSA-N 2 0 277.372 -0.199 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549743783 923639755 /nfs/dbraw/zinc/63/97/55/923639755.db2.gz UOHFPAHZZQVPDD-ZMLRMANQSA-N 2 0 277.372 -0.186 20 0 CBADRP [NH3+]C[C@@H](C(=O)NC[C@H]1C[NH2+]CCCO1)C1CCOCC1 ZINC001549751406 923640979 /nfs/dbraw/zinc/64/09/79/923640979.db2.gz VZNNYYOFRRDDNU-CHWSQXEVSA-N 2 0 285.388 -0.517 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC[C@H]21 ZINC001549883193 923645350 /nfs/dbraw/zinc/64/53/50/923645350.db2.gz LENDLJLYJOKTHS-FRRDWIJNSA-N 2 0 294.399 -0.593 20 0 CBADRP O=C(N1CC[C@H](N2CC[NH2+]CC2)C1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC001549901760 923647433 /nfs/dbraw/zinc/64/74/33/923647433.db2.gz SSDOXHWQDWEUCY-YCPHGPKFSA-N 2 0 292.427 -0.118 20 0 CBADRP CC1(C)CC[NH2+]CCN1C(=O)[C@H]1OCC[C@@H]1C[NH3+] ZINC001549902191 923648337 /nfs/dbraw/zinc/64/83/37/923648337.db2.gz YZBOOKIVPBZIJD-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@H]2OCC[C@@H]2[NH3+])C1 ZINC001549901017 923648771 /nfs/dbraw/zinc/64/87/71/923648771.db2.gz SHLJSHQBDVRPIO-DCAQKATOSA-N 2 0 255.362 -0.003 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@]34C[C@@H]3C[C@H]([NH3+])C4)C2)CC1 ZINC001549905962 923648893 /nfs/dbraw/zinc/64/88/93/923648893.db2.gz WFNGTQJSRKLIKD-TTZDDIAXSA-N 2 0 292.427 -0.038 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)CN1CC[NH2+]CC1)C2 ZINC001550069992 923667083 /nfs/dbraw/zinc/66/70/83/923667083.db2.gz YRODIBFSACSZKJ-OCCSQVGLSA-N 2 0 266.389 -0.521 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550084684 923668853 /nfs/dbraw/zinc/66/88/53/923668853.db2.gz KCNRHIKJYZSBCF-VXGBXAGGSA-N 2 0 267.373 -0.129 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550081535 923669695 /nfs/dbraw/zinc/66/96/95/923669695.db2.gz QBXLAJDFWPOLKE-TUAOUCFPSA-N 2 0 267.373 -0.144 20 0 CBADRP O=C(NC[C@@H]1CC12CC[NH2+]CC2)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC001550084415 923670498 /nfs/dbraw/zinc/67/04/98/923670498.db2.gz DCCMVQPUYQMSCI-AXFHLTTASA-N 2 0 253.346 -0.785 20 0 CBADRP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC001550077242 923670865 /nfs/dbraw/zinc/67/08/65/923670865.db2.gz XKYQKSRKFJGKEK-NEPJUHHUSA-N 2 0 277.324 -0.170 20 0 CBADRP CC(C)(C[NH3+])C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087852 923671538 /nfs/dbraw/zinc/67/15/38/923671538.db2.gz JTXYURFVWGRIRG-SNVBAGLBSA-N 2 0 266.349 -0.586 20 0 CBADRP CC(C)[NH2+]CC(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087660 923671923 /nfs/dbraw/zinc/67/19/23/923671923.db2.gz IBUMIHVITQTFFG-LLVKDONJSA-N 2 0 266.349 -0.573 20 0 CBADRP CC[C@@H]([NH3+])C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087461 923672159 /nfs/dbraw/zinc/67/21/59/923672159.db2.gz VDCVWGGISFVEHK-VHSXEESVSA-N 2 0 252.322 -0.834 20 0 CBADRP CC[C@@H]([NH3+])C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087456 923672775 /nfs/dbraw/zinc/67/27/75/923672775.db2.gz VDCVWGGISFVEHK-NXEZZACHSA-N 2 0 252.322 -0.834 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC001550088169 923673554 /nfs/dbraw/zinc/67/35/54/923673554.db2.gz NTCKGPPUVVRDGI-DGCLKSJQSA-N 2 0 292.387 -0.230 20 0 CBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)CC3([NH3+])CC3)CC2)C1=O ZINC001550092409 923674355 /nfs/dbraw/zinc/67/43/55/923674355.db2.gz FMBKLOQBDGULLQ-LBPRGKRZSA-N 2 0 294.399 -0.321 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550089968 923675585 /nfs/dbraw/zinc/67/55/85/923675585.db2.gz YSFMXWJZJIVPBB-RYUDHWBXSA-N 2 0 294.399 -0.640 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001550096295 923677443 /nfs/dbraw/zinc/67/74/43/923677443.db2.gz JNJLNFSIAFXLIQ-AGIUHOORSA-N 2 0 292.387 -0.102 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCN(C(=O)C[NH2+]C3CC3)C2)nn1 ZINC001550094579 923677658 /nfs/dbraw/zinc/67/76/58/923677658.db2.gz RORQSRZUSKBKNT-LLVKDONJSA-N 2 0 264.333 -0.738 20 0 CBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)C(C)(C)[NH3+])CC2)C1=O ZINC001550092803 923678774 /nfs/dbraw/zinc/67/87/74/923678774.db2.gz MJHUBUCPUCMXIK-LLVKDONJSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H]([NH3+])CC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001550092857 923679131 /nfs/dbraw/zinc/67/91/31/923679131.db2.gz PPYJGIYBGIRZPT-ZYHUDNBSSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001550093095 923679455 /nfs/dbraw/zinc/67/94/55/923679455.db2.gz UCVARZXWRCSEOB-GMXVVIOVSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001550094959 923679635 /nfs/dbraw/zinc/67/96/35/923679635.db2.gz AVVDTJTZNWSVKO-CYZMBNFOSA-N 2 0 292.387 -0.102 20 0 CBADRP C[C@@H](C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1)[NH+](C)C ZINC001550096221 923679962 /nfs/dbraw/zinc/67/99/62/923679962.db2.gz ZOKXYHFYIGNNIQ-GXSJLCMTSA-N 2 0 266.349 -0.540 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC[NH2+]3)C2)nn1 ZINC001550097264 923681229 /nfs/dbraw/zinc/68/12/29/923681229.db2.gz HZORMGIRLNSYKM-MNOVXSKESA-N 2 0 264.333 -0.738 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCCC[NH2+]3)C2)nn1 ZINC001550097506 923681723 /nfs/dbraw/zinc/68/17/23/923681723.db2.gz SFNBITCMRAUYMD-NWDGAFQWSA-N 2 0 278.360 -0.348 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001550096998 923681836 /nfs/dbraw/zinc/68/18/36/923681836.db2.gz WPQGRGZRACTPHA-YUSALJHKSA-N 2 0 278.360 -0.634 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4C[C@@H]4[NH2+]3)C2)nn1 ZINC001550096982 923682047 /nfs/dbraw/zinc/68/20/47/923682047.db2.gz VZLXXMVGSCPLEF-IELRGYKMSA-N 2 0 276.344 -0.739 20 0 CBADRP C[C@]1(C(=O)N2CC[C@H](n3cc(C[NH3+])nn3)C2)CC[NH2+]C1 ZINC001550097325 923682080 /nfs/dbraw/zinc/68/20/80/923682080.db2.gz KMWUUMXIAKKUTH-AAEUAGOBSA-N 2 0 278.360 -0.490 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]([NH3+])Cc3ncccn3)CC[C@@H]21 ZINC001550105156 923683089 /nfs/dbraw/zinc/68/30/89/923683089.db2.gz ZXYQLMOEYPNHKI-UPJWGTAASA-N 2 0 289.383 -0.101 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]([NH3+])Cc3ncccn3)CC[C@H]21 ZINC001550105155 923683732 /nfs/dbraw/zinc/68/37/32/923683732.db2.gz ZXYQLMOEYPNHKI-JHJVBQTASA-N 2 0 289.383 -0.101 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC[C@H]21 ZINC001550103522 923684552 /nfs/dbraw/zinc/68/45/52/923684552.db2.gz CNVBULBQRGMPRP-WISYIIOYSA-N 2 0 253.346 -0.738 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001550107821 923686006 /nfs/dbraw/zinc/68/60/06/923686006.db2.gz MQDYSBKDZFXELS-SDDRHHMPSA-N 2 0 280.372 -0.793 20 0 CBADRP [NH3+][C@@H]1C[C@H]1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550113644 923686133 /nfs/dbraw/zinc/68/61/33/923686133.db2.gz WZHYFIAJWVSTED-GMTAPVOTSA-N 2 0 253.346 -0.392 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3[C@@H](C[NH3+])C3(F)F)C[C@H]2[NH3+])c1 ZINC001550113068 923686801 /nfs/dbraw/zinc/68/68/01/923686801.db2.gz QEOXBQGSPUZDRZ-CDLYGTGVSA-N 2 0 299.325 -0.487 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])[C@H](c2ccc(OC)cc2)C1 ZINC001550114157 923687125 /nfs/dbraw/zinc/68/71/25/923687125.db2.gz VQJIKQDVLFGXNM-IHRRRGAJSA-N 2 0 293.367 -0.078 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001550109089 923687893 /nfs/dbraw/zinc/68/78/93/923687893.db2.gz OYBJTIOORPNLTK-YFKTTZPYSA-N 2 0 253.346 -0.297 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550113642 923687919 /nfs/dbraw/zinc/68/79/19/923687919.db2.gz WZHYFIAJWVSTED-GARJFASQSA-N 2 0 253.346 -0.392 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCC[NH2+]3)C2)CC1 ZINC001550116775 923689629 /nfs/dbraw/zinc/68/96/29/923689629.db2.gz RTVFVXIVONMKJD-KBPBESRZSA-N 2 0 280.416 -0.023 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@]3(F)CC[NH2+]C3)C2)CC1 ZINC001550117309 923690029 /nfs/dbraw/zinc/69/00/29/923690029.db2.gz XUZNQOVEVAYFBA-TZMCWYRMSA-N 2 0 284.379 -0.464 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCC[NH2+]3)C2)CC1 ZINC001550116781 923690312 /nfs/dbraw/zinc/69/03/12/923690312.db2.gz RTVFVXIVONMKJD-ZIAGYGMSSA-N 2 0 280.416 -0.023 20 0 CBADRP CC(C)[NH2+]CC(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550117201 923690668 /nfs/dbraw/zinc/69/06/68/923690668.db2.gz XBUADFJUCNOTGG-CYBMUJFWSA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550117167 923690994 /nfs/dbraw/zinc/69/09/94/923690994.db2.gz WQHGKVQGAURSNC-RYUDHWBXSA-N 2 0 254.378 -0.428 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)[C@H]([NH3+])C3CCC3)C2)CC1 ZINC001550117149 923691118 /nfs/dbraw/zinc/69/11/18/923691118.db2.gz WHBWQQFHPRKDPK-UONOGXRCSA-N 2 0 280.416 -0.038 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@]3(C)C[NH2+]CCO3)C2)CC1 ZINC001550117113 923691196 /nfs/dbraw/zinc/69/11/96/923691196.db2.gz VDLHWFSRKFGUEW-HIFRSBDPSA-N 2 0 296.415 -0.787 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001550117406 923691418 /nfs/dbraw/zinc/69/14/18/923691418.db2.gz XZUPKIHDOQSVKN-MJVIPROJSA-N 2 0 280.372 -0.745 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550117320 923691492 /nfs/dbraw/zinc/69/14/92/923691492.db2.gz YIIZUWNBLCEZMM-JSGCOSHPSA-N 2 0 280.416 -0.025 20 0 CBADRP COC[C@]1(C(=O)NC23CC(C[NH3+])(C2)C3)CC[NH2+]C1 ZINC001550118816 923691922 /nfs/dbraw/zinc/69/19/22/923691922.db2.gz OPAJYISQYMCVLD-CPCZMJQVSA-N 2 0 253.346 -0.390 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001550183989 923707067 /nfs/dbraw/zinc/70/70/67/923707067.db2.gz PPDNBOCCNCTHLW-JHJVBQTASA-N 2 0 285.388 -0.295 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC001550187226 923707311 /nfs/dbraw/zinc/70/73/11/923707311.db2.gz MFYMOWIGKNWIGY-GFCCVEGCSA-N 2 0 285.388 -0.327 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001550186579 923708193 /nfs/dbraw/zinc/70/81/93/923708193.db2.gz IMMGPSFNZMWZFZ-QNWHQSFQSA-N 2 0 285.388 -0.295 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550194981 923709622 /nfs/dbraw/zinc/70/96/22/923709622.db2.gz TXKJJKNDDSAJLU-MNOVXSKESA-N 2 0 271.361 -0.765 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC3(C)C)C[C@H]2[NH3+])c1 ZINC001550195016 923710765 /nfs/dbraw/zinc/71/07/65/923710765.db2.gz UBILTBPPNAZCDT-GRYCIOLGSA-N 2 0 291.399 -0.081 20 0 CBADRP C[NH2+][C@H](C)C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001550205771 923711104 /nfs/dbraw/zinc/71/11/04/923711104.db2.gz YEHBHXKURCEGCW-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP O=C(CN1CCCC[C@@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001550244051 923712930 /nfs/dbraw/zinc/71/29/30/923712930.db2.gz SCAWJZYHZJRONG-HNNXBMFYSA-N 2 0 280.416 -0.116 20 0 CBADRP [NH3+][C@@H]1COCCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC001550273799 923713016 /nfs/dbraw/zinc/71/30/16/923713016.db2.gz YJGRFONDYWVIRT-WDEREUQCSA-N 2 0 268.361 -0.360 20 0 CBADRP [NH3+][C@H]1COCCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC001550269051 923713915 /nfs/dbraw/zinc/71/39/15/923713915.db2.gz IQLXQILBNVSLPV-SQLBVSGCSA-N 2 0 254.334 -0.893 20 0 CBADRP O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H]1C[NH2+]CCO1 ZINC001550277459 923717874 /nfs/dbraw/zinc/71/78/74/923717874.db2.gz LRKLMJVQWPKVQS-PSEXLTFBSA-N 2 0 282.388 -0.195 20 0 CBADRP CN1CC(=O)N(CC[N@@H+]2C[C@@H]3CCC[C@@]3(C[NH3+])C2)C1=O ZINC001550436687 923729526 /nfs/dbraw/zinc/72/95/26/923729526.db2.gz JBHSILHQUFRJNL-SMDDNHRTSA-N 2 0 280.372 -0.059 20 0 CBADRP CN1CC(=O)N(CC[N@@H+]2C[C@H]3CCC[C@]3(C[NH3+])C2)C1=O ZINC001550436686 923730256 /nfs/dbraw/zinc/73/02/56/923730256.db2.gz JBHSILHQUFRJNL-RISCZKNCSA-N 2 0 280.372 -0.059 20 0 CBADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)[C@H]2C1 ZINC001550717954 923737375 /nfs/dbraw/zinc/73/73/75/923737375.db2.gz BVSNQOLFTKLQOR-QMVSFRDZSA-N 2 0 295.383 -0.563 20 0 CBADRP C[C@]12C[NH2+]C[C@@H]1CN(C(=O)[C@@H]1C[C@@H]3OCC[C@@H]3[NH2+]1)C2 ZINC001550722163 923737738 /nfs/dbraw/zinc/73/77/38/923737738.db2.gz DFFMUFDJIGUTAC-DKKFBCOVSA-N 2 0 265.357 -0.426 20 0 CBADRP C[C@]12C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]1C[C@@H]3OCC[C@H]3[NH2+]1)C2 ZINC001550723364 923737857 /nfs/dbraw/zinc/73/78/57/923737857.db2.gz HGIJVMWRLBNTRV-CYHVGBIXSA-N 2 0 279.384 -0.036 20 0 CBADRP C[C@]12C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]1C[C@H]3OCC[C@@H]3[NH2+]1)C2 ZINC001550723360 923737961 /nfs/dbraw/zinc/73/79/61/923737961.db2.gz HGIJVMWRLBNTRV-CWFCOSEVSA-N 2 0 279.384 -0.036 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H]1CN1CCNC(=O)CC12C[NH2+]C2 ZINC001550699914 923738722 /nfs/dbraw/zinc/73/87/22/923738722.db2.gz PVBUHIHWWHFDGP-WDEREUQCSA-N 2 0 252.362 -0.994 20 0 CBADRP [NH3+][C@@H]1CC[C@@H](CNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC001550731183 923741331 /nfs/dbraw/zinc/74/13/31/923741331.db2.gz LEWARLZMKNKJLJ-IJLUTSLNSA-N 2 0 270.377 -0.209 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC001550733373 923741825 /nfs/dbraw/zinc/74/18/25/923741825.db2.gz AUYLBINLRWGHDH-YDGIUTOCSA-N 2 0 268.361 -0.766 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001550732853 923741923 /nfs/dbraw/zinc/74/19/23/923741923.db2.gz UOONTZQRBGZFGP-WDEREUQCSA-N 2 0 270.377 -0.338 20 0 CBADRP [NH3+][C@@]12CC[C@H]1CN(C(=O)NCC13CC(C1)C[NH2+]3)C2 ZINC001550743963 923743460 /nfs/dbraw/zinc/74/34/60/923743460.db2.gz NFVGOYIBFPEIMV-KQXCDPHESA-N 2 0 250.346 -0.129 20 0 CBADRP CO[C@@H]1C[C@@H](C[NH3+])N(C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC001550736876 923743585 /nfs/dbraw/zinc/74/35/85/923743585.db2.gz RXLYKHIROITIQV-QJPTWQEYSA-N 2 0 286.376 -0.878 20 0 CBADRP CN(C(=O)NC[C@H]1C[NH2+]CCCO1)[C@H]1CCC[NH2+]C1 ZINC001550735493 923743789 /nfs/dbraw/zinc/74/37/89/923743789.db2.gz NLCJMZPQOJGXGV-NWDGAFQWSA-N 2 0 270.377 -0.242 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001550740648 923743841 /nfs/dbraw/zinc/74/38/41/923743841.db2.gz GEZQCAAZIBWMLK-AVERBVTBSA-N 2 0 294.399 -0.194 20 0 CBADRP CO[C@@H]1C[C@@H](C[NH3+])N(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC001550740857 923744082 /nfs/dbraw/zinc/74/40/82/923744082.db2.gz HSVLEDCAXJGDBY-PCQVFGIUSA-N 2 0 268.361 -0.504 20 0 CBADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CC[NH2+]C[C@H](O)C1 ZINC001550738829 923744254 /nfs/dbraw/zinc/74/42/54/923744254.db2.gz CSOMUCOZJDIMOT-MJBXVCDLSA-N 2 0 296.415 -0.021 20 0 CBADRP CO[C@@H]1C[C@@H](C[NH3+])N(C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC001550736883 923744502 /nfs/dbraw/zinc/74/45/02/923744502.db2.gz RXLYKHIROITIQV-TUAOUCFPSA-N 2 0 286.376 -0.878 20 0 CBADRP [NH3+]C[C@@H]1[C@H]2CN(C(=O)NCC34CC(C3)C[NH2+]4)C[C@H]21 ZINC001550734901 923744758 /nfs/dbraw/zinc/74/47/58/923744758.db2.gz JFJXRJPDJRZQLX-ZXQJYTMISA-N 2 0 250.346 -0.416 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550754900 923746886 /nfs/dbraw/zinc/74/68/86/923746886.db2.gz DJLRORSRYVDSNQ-WDEREUQCSA-N 2 0 270.377 -0.209 20 0 CBADRP C[C@H]([NH3+])CNC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550755661 923748147 /nfs/dbraw/zinc/74/81/47/923748147.db2.gz KARRSECJAXIHHQ-QWRGUYRKSA-N 2 0 270.377 -0.209 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001550913295 923754138 /nfs/dbraw/zinc/75/41/38/923754138.db2.gz OOOXHNQIRSQGEE-WFASDCNBSA-N 2 0 296.415 -0.253 20 0 CBADRP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001550935059 923755657 /nfs/dbraw/zinc/75/56/57/923755657.db2.gz PBVJGFGIIXVVGZ-FRRDWIJNSA-N 3 0 251.374 -0.094 20 0 CBADRP [NH3+][C@@H]1C[C@@H](O)[C@@H](N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC001550934963 923755811 /nfs/dbraw/zinc/75/58/11/923755811.db2.gz OMUOJYJMVWTUSQ-HVQZGBDUSA-N 3 0 294.443 -0.262 20 0 CBADRP O=C([C@@H]1C[NH2+]CCOC1)N1CC[NH2+]CCC12CCOCC2 ZINC001551463056 923795073 /nfs/dbraw/zinc/79/50/73/923795073.db2.gz GJOOIYHWIKKGSZ-CYBMUJFWSA-N 2 0 297.399 -0.407 20 0 CBADRP [NH3+][C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C12CCC2 ZINC001551462657 923795135 /nfs/dbraw/zinc/79/51/35/923795135.db2.gz DGDIUBYLLWLHHH-NGDQXYMTSA-N 2 0 265.357 -0.108 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH2+]CCC12CCOCC2 ZINC001551463204 923795600 /nfs/dbraw/zinc/79/56/00/923795600.db2.gz NYGMALGXEFSURF-CYBMUJFWSA-N 2 0 297.399 -0.264 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)C[C@]2(C)C1 ZINC001551462829 923796066 /nfs/dbraw/zinc/79/60/66/923796066.db2.gz DMTDLZTXHJDSCF-BIGJJFBESA-N 2 0 279.384 -0.084 20 0 CBADRP O=C([C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001551467375 923797599 /nfs/dbraw/zinc/79/75/99/923797599.db2.gz ZLXTWZSVOFXNFZ-MELADBBJSA-N 2 0 295.383 -0.515 20 0 CBADRP [NH3+][C@]12CC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]3OCC[C@@H]3[NH2+]1)C2 ZINC001551466788 923797927 /nfs/dbraw/zinc/79/79/27/923797927.db2.gz WGUHPWNQOPGYGN-XPCJQDJLSA-N 2 0 251.330 -0.545 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001551466340 923798499 /nfs/dbraw/zinc/79/84/99/923798499.db2.gz SLRDXRKOMCTKJI-MOLYVOAJSA-N 2 0 265.357 -0.426 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2Cc3ccccc3[C@H]2[NH3+])CCO1 ZINC001551512318 923801279 /nfs/dbraw/zinc/80/12/79/923801279.db2.gz ZMXYEGJBTMSNPR-KWCYVHTRSA-N 2 0 290.367 -0.020 20 0 CBADRP [NH3+]CCNC(=O)NC[C@]12C[C@@]1(C(F)(F)F)C[NH2+]C2 ZINC001551562686 923802084 /nfs/dbraw/zinc/80/20/84/923802084.db2.gz UGTCVVFAFBXHNN-RKDXNWHRSA-N 2 0 266.267 -0.214 20 0 CBADRP C[N@H+]1[C@H]2CN(C(=O)NC3CC4(C[C@@H]4[NH3+])C3)C[C@H]2C[C@H]1CO ZINC001551586208 923805602 /nfs/dbraw/zinc/80/56/02/923805602.db2.gz MPLVUXAXVFEYGO-PCKRFRQOSA-N 2 0 294.399 -0.427 20 0 CBADRP [NH3+][C@H]1CC12CC(NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)C2 ZINC001551572844 923806055 /nfs/dbraw/zinc/80/60/55/923806055.db2.gz DFYPQXUTYVXCDN-RRFNDXNDSA-N 2 0 256.325 -0.053 20 0 CBADRP [NH3+][C@H]1CC12CC(NC(=O)N1CCN([C@H]3CC[NH2+]C3)CC1)C2 ZINC001551597897 923809619 /nfs/dbraw/zinc/80/96/19/923809619.db2.gz CJORHGQYDHJTCY-FMPXUHTOSA-N 2 0 293.415 -0.445 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C[C@H]1[NH3+] ZINC001552089316 923828605 /nfs/dbraw/zinc/82/86/05/923828605.db2.gz FFNBGRZEYFUAFQ-KXUCPTDWSA-N 2 0 264.333 -0.768 20 0 CBADRP CN(C(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[C@H](C[NH3+])C1CC1 ZINC001552089148 923829506 /nfs/dbraw/zinc/82/95/06/923829506.db2.gz ADTBHEUSCRNVAD-CMPLNLGQSA-N 2 0 278.360 -0.378 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552161664 923838714 /nfs/dbraw/zinc/83/87/14/923838714.db2.gz QPJKKZRRMFIKSR-MNOVXSKESA-N 2 0 278.360 -0.364 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552161665 923838758 /nfs/dbraw/zinc/83/87/58/923838758.db2.gz QPJKKZRRMFIKSR-QWRGUYRKSA-N 2 0 278.360 -0.364 20 0 CBADRP O=C(N[C@@H]1CCO[C@H]1C1CC[NH2+]CC1)[C@H]1C[NH2+]CCOC1 ZINC001552159952 923839535 /nfs/dbraw/zinc/83/95/35/923839535.db2.gz HHDPDFDPSMGJGG-MJBXVCDLSA-N 2 0 297.399 -0.504 20 0 CBADRP O=C(N[C@@H]1CCO[C@@H]1C1CC[NH2+]CC1)[C@@H]1C[NH2+]CCOC1 ZINC001552159951 923839566 /nfs/dbraw/zinc/83/95/66/923839566.db2.gz HHDPDFDPSMGJGG-MGPQQGTHSA-N 2 0 297.399 -0.504 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552161626 923839865 /nfs/dbraw/zinc/83/98/65/923839865.db2.gz OLWZNNBJRCUTQN-IUCAKERBSA-N 2 0 252.322 -0.863 20 0 CBADRP [NH3+]C[C@@H](NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)C1CC1 ZINC001552161614 923840023 /nfs/dbraw/zinc/84/00/23/923840023.db2.gz PXKOWFOIMQWVEJ-NXEZZACHSA-N 2 0 264.333 -0.720 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC[NH2+]1 ZINC001552164092 923841455 /nfs/dbraw/zinc/84/14/55/923841455.db2.gz MYQISGGGLXVGRG-MXWKQRLJSA-N 2 0 278.360 -0.317 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552162636 923841582 /nfs/dbraw/zinc/84/15/82/923841582.db2.gz CEHKSMIKIFGPBY-VHSXEESVSA-N 2 0 264.333 -0.706 20 0 CBADRP Cc1c([C@H]2C[NH2+]C[C@H]2C(=O)NCC[NH3+])cnn1C ZINC001552162700 923841708 /nfs/dbraw/zinc/84/17/08/923841708.db2.gz FVPXGTBNNOSYLU-GHMZBOCLSA-N 2 0 251.334 -0.894 20 0 CBADRP C[NH2+]C[C@@H]1C[C@@H](F)CN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC001552163897 923841810 /nfs/dbraw/zinc/84/18/10/923841810.db2.gz KIIPHQCUTQWRLO-MXWKQRLJSA-N 2 0 259.325 -0.619 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CC[C@@H](C[NH3+])C2)cnn1C ZINC001552163332 923841875 /nfs/dbraw/zinc/84/18/75/923841875.db2.gz NTBHXQBRMSMPON-FPMFFAJLSA-N 2 0 291.399 -0.161 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552163834 923842056 /nfs/dbraw/zinc/84/20/56/923842056.db2.gz XMPQSRKQADCBLI-IUCAKERBSA-N 2 0 252.322 -0.720 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CCC[C@@H]([NH3+])C2)cnn1C ZINC001552162744 923842573 /nfs/dbraw/zinc/84/25/73/923842573.db2.gz HGOFYFUIRAAYIU-XBFCOCLRSA-N 2 0 291.399 -0.019 20 0 CBADRP C[C@H](NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1CCC[NH2+]C1 ZINC001552163507 923842606 /nfs/dbraw/zinc/84/26/06/923842606.db2.gz SESUSHDEIVWJLJ-QJPTWQEYSA-N 2 0 292.387 -0.070 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC2CC[NH2+]CC2)cnn1C ZINC001552162523 923842820 /nfs/dbraw/zinc/84/28/20/923842820.db2.gz BDDPHPMVOOJATF-KBPBESRZSA-N 2 0 291.399 -0.100 20 0 CBADRP C[C@@H](NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[C@H](C)[NH3+] ZINC001552163306 923842949 /nfs/dbraw/zinc/84/29/49/923842949.db2.gz FCBOTLDSAZTGEV-YIZRAAEISA-N 2 0 252.322 -0.722 20 0 CBADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCC[NH2+]CC2)cnn1C ZINC001552162909 923843261 /nfs/dbraw/zinc/84/32/61/923843261.db2.gz NNRXHOCYZGIGPK-KGLIPLIRSA-N 2 0 291.399 -0.147 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cnn(C)c1C ZINC001552164100 923843869 /nfs/dbraw/zinc/84/38/69/923843869.db2.gz NAAWIQLRNNSNDL-OASPWFOLSA-N 2 0 279.388 -0.244 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@H](C)[C@H](C)[NH3+])cnn1C ZINC001552164145 923844037 /nfs/dbraw/zinc/84/40/37/923844037.db2.gz OCPCGVASCOIMIV-FQPOAREZSA-N 2 0 279.388 -0.117 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552164477 923844718 /nfs/dbraw/zinc/84/47/18/923844718.db2.gz VXXXRQILQMTPJC-BDAKNGLRSA-N 2 0 252.322 -0.720 20 0 CBADRP CC1(C)C[NH2+][C@H]1CNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552164558 923844819 /nfs/dbraw/zinc/84/48/19/923844819.db2.gz XCLZXGFYQKPMFV-ONGXEEELSA-N 2 0 278.360 -0.460 20 0 CBADRP C[NH2+][C@@H](C)CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552164404 923845205 /nfs/dbraw/zinc/84/52/05/923845205.db2.gz SZOFGFVPZQCPBM-DTWKUNHWSA-N 2 0 252.322 -0.850 20 0 CBADRP O=C(N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552193781 923846778 /nfs/dbraw/zinc/84/67/78/923846778.db2.gz DXHKHFUTZASOIY-NMKXLXIOSA-N 2 0 265.357 -0.425 20 0 CBADRP [NH3+]Cc1ccccc1CNC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552194097 923847493 /nfs/dbraw/zinc/84/74/93/923847493.db2.gz JZKPECGLASMODC-HIFRSBDPSA-N 2 0 275.352 -0.003 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552193776 923847795 /nfs/dbraw/zinc/84/77/95/923847795.db2.gz DTMPZBODBGBHIX-GMXVVIOVSA-N 2 0 253.346 -0.580 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552194721 923847863 /nfs/dbraw/zinc/84/78/63/923847863.db2.gz QJBNGHWYUFSKRW-DMDPSCGWSA-N 2 0 253.346 -0.662 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552194939 923847968 /nfs/dbraw/zinc/84/79/68/923847968.db2.gz OVGSCNTWGDMJEK-FMCLSXCISA-N 2 0 267.373 -0.192 20 0 CBADRP [NH3+]Cc1ccccc1CNC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552194093 923848557 /nfs/dbraw/zinc/84/85/57/923848557.db2.gz JZKPECGLASMODC-DZGCQCFKSA-N 2 0 275.352 -0.003 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552193780 923848630 /nfs/dbraw/zinc/84/86/30/923848630.db2.gz DTMPZBODBGBHIX-LOWVWBTDSA-N 2 0 253.346 -0.580 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552195492 923850986 /nfs/dbraw/zinc/85/09/86/923850986.db2.gz YJRSCJGJSHHBLL-GXFFZTMASA-N 2 0 255.362 -0.144 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)C[N@@H+]1C1CC1 ZINC001552199977 923855385 /nfs/dbraw/zinc/85/53/85/923855385.db2.gz GAVLWSYINNVWLP-OXJKWZBOSA-N 2 0 279.384 -0.036 20 0 CBADRP C[NH+]1CCC(CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552201696 923858061 /nfs/dbraw/zinc/85/80/61/923858061.db2.gz SMJKEBHLICCHPF-OCCSQVGLSA-N 2 0 267.373 -0.320 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552201701 923858102 /nfs/dbraw/zinc/85/81/02/923858102.db2.gz SNVZKNSCNKJFGO-BZPMIXESSA-N 2 0 267.373 -0.225 20 0 CBADRP O=C(NCC[NH+]1CCCC1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552201115 923858928 /nfs/dbraw/zinc/85/89/28/923858928.db2.gz WQVQHKXYXPGQCG-YPMHNXCESA-N 2 0 253.346 -0.566 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552201997 923859772 /nfs/dbraw/zinc/85/97/72/923859772.db2.gz ZCODSBHEOOEZBL-BZPMIXESSA-N 2 0 267.373 -0.320 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552201915 923860197 /nfs/dbraw/zinc/86/01/97/923860197.db2.gz VDHBHXYCATYHIM-UMVBOHGHSA-N 2 0 297.399 -0.551 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552202568 923861642 /nfs/dbraw/zinc/86/16/42/923861642.db2.gz KBIDSSKIASATNS-RTXFEEFZSA-N 2 0 253.346 -0.580 20 0 CBADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552202501 923861653 /nfs/dbraw/zinc/86/16/53/923861653.db2.gz HKZAHWPXMFEJLN-ABAIWWIYSA-N 2 0 288.351 -0.098 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552202778 923862080 /nfs/dbraw/zinc/86/20/80/923862080.db2.gz ORMYZWRKOJGASK-WGBDABJCSA-N 2 0 253.346 -0.582 20 0 CBADRP [NH3+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552202547 923862194 /nfs/dbraw/zinc/86/21/94/923862194.db2.gz ITMXOSQKWYAXER-QTFMQBAUSA-N 2 0 279.384 -0.049 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552202628 923863034 /nfs/dbraw/zinc/86/30/34/923863034.db2.gz LOXMOOZKPWMYAV-HNCHTBHHSA-N 2 0 253.346 -0.663 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552203288 923865515 /nfs/dbraw/zinc/86/55/15/923865515.db2.gz ZDRJREAADICBFO-SGMGOOAPSA-N 2 0 267.373 -0.190 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1COC2)C(F)(F)F ZINC001552203651 923865861 /nfs/dbraw/zinc/86/58/61/923865861.db2.gz IBUSZFCRTPTABX-WEDXCCLWSA-N 2 0 281.278 -0.382 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552203262 923866665 /nfs/dbraw/zinc/86/66/65/923866665.db2.gz XJGKGMLILOIJDD-HNCHTBHHSA-N 2 0 253.346 -0.392 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001552216273 923867431 /nfs/dbraw/zinc/86/74/31/923867431.db2.gz NGDDFSPOMQOYFV-SCRDCRAPSA-N 2 0 267.373 -0.177 20 0 CBADRP C[NH+](C)C1CC(CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC001552210902 923867473 /nfs/dbraw/zinc/86/74/73/923867473.db2.gz XFYFRJWTZGKUFO-CXQJBGSLSA-N 2 0 292.387 -0.118 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH2+]CC3)CCN2C1=O ZINC001552212615 923867568 /nfs/dbraw/zinc/86/75/68/923867568.db2.gz AUYDNDDZMMMABN-IJLUTSLNSA-N 2 0 280.372 -0.854 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[NH2+]CC3)CCN2C1=O ZINC001552212617 923868893 /nfs/dbraw/zinc/86/88/93/923868893.db2.gz AUYDNDDZMMMABN-SDDRHHMPSA-N 2 0 280.372 -0.854 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)[C@@H](C[NH3+])C1 ZINC001552215758 923869829 /nfs/dbraw/zinc/86/98/29/923869829.db2.gz LTDGYDUTYSMENA-IJLUTSLNSA-N 2 0 255.362 -0.192 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC[C@H]1F ZINC001552218700 923871580 /nfs/dbraw/zinc/87/15/80/923871580.db2.gz WDBNYAOXEVIRAT-BFLSOPEQSA-N 2 0 257.309 -0.880 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC[C@H]1F ZINC001552216310 923872055 /nfs/dbraw/zinc/87/20/55/923872055.db2.gz PVKNSCRXJPQFST-OPRDCNLKSA-N 2 0 282.323 -0.676 20 0 CBADRP [NH3+][C@@H]1COCCN(C(=O)[C@H]2C[C@@H]2C2CC[NH2+]CC2)C1 ZINC001552260181 923874069 /nfs/dbraw/zinc/87/40/69/923874069.db2.gz BSPDXFNLARHMDS-XQQFMLRXSA-N 2 0 267.373 -0.192 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001552249726 923875254 /nfs/dbraw/zinc/87/52/54/923875254.db2.gz QBHMQHZNQXSENB-SYEHKZFSSA-N 2 0 292.387 -0.393 20 0 CBADRP C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552272922 923876781 /nfs/dbraw/zinc/87/67/81/923876781.db2.gz GCPJRMLHCUAJDF-DCQANWLSSA-N 2 0 290.371 -0.365 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552274085 923877001 /nfs/dbraw/zinc/87/70/01/923877001.db2.gz GJRCUQNNPOFYLX-BBBLOLIVSA-N 2 0 264.333 -0.626 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NCC2CC([NH3+])C2)cnn1C ZINC001552273448 923877771 /nfs/dbraw/zinc/87/77/71/923877771.db2.gz PUVBOMZUNZRNON-OQSWDALSSA-N 2 0 291.399 -0.115 20 0 CBADRP [NH3+][C@@H]1COCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552272721 923878201 /nfs/dbraw/zinc/87/82/01/923878201.db2.gz DHBMKZDCTWVMFF-LPWJVIDDSA-N 2 0 267.373 -0.146 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552275756 923879292 /nfs/dbraw/zinc/87/92/92/923879292.db2.gz DFPXJWVVAKBKCO-GUBZILKMSA-N 2 0 264.333 -0.707 20 0 CBADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)[C@H]1C[NH2+]CCOC1)C2 ZINC001552283191 923880411 /nfs/dbraw/zinc/88/04/11/923880411.db2.gz QLISMWHNDSAUEZ-VIFPVBQESA-N 2 0 296.396 -0.278 20 0 CBADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N1C[C@@H](N)[C@@H]([NH3+])C1 ZINC001552292303 923881885 /nfs/dbraw/zinc/88/18/85/923881885.db2.gz HIHQQEJSMBRHSX-XQHKEYJVSA-N 2 0 281.404 -0.365 20 0 CBADRP Nc1cc[nH+]c(CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)c1 ZINC001552284773 923883103 /nfs/dbraw/zinc/88/31/03/923883103.db2.gz OPGIQKHSOXHPJT-NOZJJQNGSA-N 2 0 262.313 -0.484 20 0 CBADRP C[C@H]1CN(C(=O)N2C[C@@H](N)[C@@H]([NH3+])C2)CC[N@@H+](C2CC2)C1 ZINC001552294074 923885247 /nfs/dbraw/zinc/88/52/47/923885247.db2.gz XRKKLXHSUMDKAR-RTXFEEFZSA-N 2 0 281.404 -0.507 20 0 CBADRP [NH3+]CC1(CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC001552336187 923886232 /nfs/dbraw/zinc/88/62/32/923886232.db2.gz AOCMKNPJVBYABA-GFCCVEGCSA-N 2 0 281.404 -0.586 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001552336762 923886281 /nfs/dbraw/zinc/88/62/81/923886281.db2.gz DGMYDLIYTKXTOG-AGIUHOORSA-N 2 0 281.404 -0.717 20 0 CBADRP C[C@H]1CN(C(=O)N2C[C@@H](N)[C@@H]([NH3+])C2)CC[N@@H+](C2CCC2)C1 ZINC001552293854 923886334 /nfs/dbraw/zinc/88/63/34/923886334.db2.gz WKEKQKQSYDNBNM-BNOWGMLFSA-N 2 0 295.431 -0.117 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@]23CC[C@@H]2CC[NH2+]3)CCCO1 ZINC001552337184 923886377 /nfs/dbraw/zinc/88/63/77/923886377.db2.gz FMZAXGKCIHJWDF-BZPMIXESSA-N 2 0 282.388 -0.112 20 0 CBADRP [NH3+]CCC1CC(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC001552348099 923887563 /nfs/dbraw/zinc/88/75/63/923887563.db2.gz XFMDDVWXSDGRDX-JXQTWKCFSA-N 2 0 295.431 -0.197 20 0 CBADRP [NH3+]C1CC(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC001552340864 923888027 /nfs/dbraw/zinc/88/80/27/923888027.db2.gz CQUWJZKDDBTPCX-HTAVTVPLSA-N 2 0 267.377 -0.835 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001552340884 923888576 /nfs/dbraw/zinc/88/85/76/923888576.db2.gz QXTBRKUPYIMVTC-IJLUTSLNSA-N 2 0 270.377 -0.399 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001552353457 923889771 /nfs/dbraw/zinc/88/97/71/923889771.db2.gz PATLXQMEGWOJPB-OLZOCXBDSA-N 2 0 295.431 -0.327 20 0 CBADRP Cc1c(C(=O)NCC[C@@H](C)[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552419420 923895491 /nfs/dbraw/zinc/89/54/91/923895491.db2.gz VCSDRSDNNGFYBG-PSASIEDQSA-N 2 0 266.349 -0.412 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)c1cnnn1C1CC[NH2+]CC1 ZINC001552419277 923896068 /nfs/dbraw/zinc/89/60/68/923896068.db2.gz VZSWYUSZRJFFJU-JTQLQIEISA-N 2 0 278.360 -0.316 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001552419211 923896136 /nfs/dbraw/zinc/89/61/36/923896136.db2.gz PAYXSZCXZFATLM-LLVKDONJSA-N 2 0 292.387 -0.878 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001552419218 923896534 /nfs/dbraw/zinc/89/65/34/923896534.db2.gz PDCGUXMDPUHILZ-MNOVXSKESA-N 2 0 278.360 -0.316 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]C1)c1cnnn1C1CC[NH2+]CC1 ZINC001552418747 923897009 /nfs/dbraw/zinc/89/70/09/923897009.db2.gz NRQSKDYENGCZGQ-NSHDSACASA-N 2 0 292.387 -0.068 20 0 CBADRP Cc1c(C(=O)N2CCC(C[NH3+])CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552418411 923897231 /nfs/dbraw/zinc/89/72/31/923897231.db2.gz LRCGJWAXIFQJPM-LBPRGKRZSA-N 2 0 292.387 -0.068 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CCCC[NH2+]C2)CCO1 ZINC001552420460 923898340 /nfs/dbraw/zinc/89/83/40/923898340.db2.gz CZHOQTNNSRRMSS-QJPTWQEYSA-N 2 0 255.362 -0.049 20 0 CBADRP Cc1c(C(=O)N(C)[C@@H](C)C[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552420883 923899316 /nfs/dbraw/zinc/89/93/16/923899316.db2.gz RGTBWFHKTZDFCH-WCBMZHEXSA-N 2 0 266.349 -0.460 20 0 CBADRP Cc1c(C(=O)N[C@@](C)(C[NH3+])C2CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552420294 923899864 /nfs/dbraw/zinc/89/98/64/923899864.db2.gz AQSFOAHBIAAGET-RISCZKNCSA-N 2 0 292.387 -0.022 20 0 CBADRP O=C([C@@H]1CCCC[NH2+]C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001552426333 923901821 /nfs/dbraw/zinc/90/18/21/923901821.db2.gz WJXUKTUCVYEEDO-KGLIPLIRSA-N 2 0 280.416 -0.118 20 0 CBADRP Cc1c(C(=O)NCC2([NH3+])CCC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552436515 923903448 /nfs/dbraw/zinc/90/34/48/923903448.db2.gz LKOZRRUFGBXKTC-JTQLQIEISA-N 2 0 278.360 -0.268 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001552436678 923904539 /nfs/dbraw/zinc/90/45/39/923904539.db2.gz DQOHZBOHTKIOFR-PWSUYJOCSA-N 2 0 292.387 -0.070 20 0 CBADRP Cc1c(C(=O)NC2(C)CC[NH2+]CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552436655 923904670 /nfs/dbraw/zinc/90/46/70/923904670.db2.gz CVQYCJHGZNOHIZ-LLVKDONJSA-N 2 0 292.387 -0.007 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C ZINC001552437121 923904776 /nfs/dbraw/zinc/90/47/76/923904776.db2.gz JJNYBHOGIMBXEW-SCZZXKLOSA-N 2 0 266.349 -0.541 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC[C@@H]1F ZINC001552436041 923904922 /nfs/dbraw/zinc/90/49/22/923904922.db2.gz VJFJNZXNUWSULR-DVVUODLYSA-N 2 0 281.335 -0.002 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C ZINC001552437119 923905049 /nfs/dbraw/zinc/90/50/49/923905049.db2.gz JJNYBHOGIMBXEW-PSASIEDQSA-N 2 0 266.349 -0.541 20 0 CBADRP Cc1c(C(=O)NC[C@H](C)[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552436621 923905353 /nfs/dbraw/zinc/90/53/53/923905353.db2.gz BFHWMVZIMHHFTN-CBAPKCEASA-N 2 0 252.322 -0.802 20 0 CBADRP CC1(C)C[NH2+][C@@H]1CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001552437536 923907050 /nfs/dbraw/zinc/90/70/50/923907050.db2.gz NPSKMKVBDKGEAX-GFCCVEGCSA-N 2 0 292.387 -0.070 20 0 CBADRP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001552438186 923907086 /nfs/dbraw/zinc/90/70/86/923907086.db2.gz ZNLCBQZLOLYQBR-MXWKQRLJSA-N 2 0 275.356 -0.222 20 0 CBADRP Cc1c(C(=O)N(C)CC(C)(C)[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552438026 923907451 /nfs/dbraw/zinc/90/74/51/923907451.db2.gz FXTTZNQKLUYLDI-SNVBAGLBSA-N 2 0 280.376 -0.070 20 0 CBADRP Cc1c(C(=O)N2CC[C@@](C)(C[NH3+])C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552438089 923907655 /nfs/dbraw/zinc/90/76/55/923907655.db2.gz YLMWGRLIURTSLV-RISCZKNCSA-N 2 0 292.387 -0.068 20 0 CBADRP Cc1c(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)nnn1[C@H]1CC[NH2+]C1 ZINC001552437284 923908134 /nfs/dbraw/zinc/90/81/34/923908134.db2.gz ADJPFGUALLQSLH-LSJOCFKGSA-N 2 0 278.360 -0.317 20 0 CBADRP Cc1c(C(=O)N(C)CC(C)(C)[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552438025 923908189 /nfs/dbraw/zinc/90/81/89/923908189.db2.gz FXTTZNQKLUYLDI-JTQLQIEISA-N 2 0 280.376 -0.070 20 0 CBADRP Cc1c(C(=O)N[C@H]2CCC[NH2+]CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552438195 923908270 /nfs/dbraw/zinc/90/82/70/923908270.db2.gz ZOHGSDHUHWXEIF-NWDGAFQWSA-N 2 0 292.387 -0.007 20 0 CBADRP [NH3+][C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[C@H]1F ZINC001552440462 923908990 /nfs/dbraw/zinc/90/89/90/923908990.db2.gz VJTNQYSNAMUDFR-MNOVXSKESA-N 2 0 296.350 -0.286 20 0 CBADRP Cc1c(C(=O)N(C)CC[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552441874 923909357 /nfs/dbraw/zinc/90/93/57/923909357.db2.gz NBULJVBUACLUHH-SECBINFHSA-N 2 0 252.322 -0.848 20 0 CBADRP Cc1c(C(=O)NC(C)(C)CC[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552441320 923909472 /nfs/dbraw/zinc/90/94/72/923909472.db2.gz JFIYKNWBUYHLKJ-SNVBAGLBSA-N 2 0 280.376 -0.022 20 0 CBADRP C[C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001552440529 923909991 /nfs/dbraw/zinc/90/99/91/923909991.db2.gz CNDKMQURANHJHU-GXSJLCMTSA-N 2 0 278.360 -0.378 20 0 CBADRP Cc1c(C(=O)N[C@@]2(C)CC[NH2+]C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552439983 923910174 /nfs/dbraw/zinc/91/01/74/923910174.db2.gz JTWPONJEVBHWES-GWCFXTLKSA-N 2 0 278.360 -0.397 20 0 CBADRP Cc1c(C(=O)N[C@H](C)C[C@H](C)[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552442902 923910308 /nfs/dbraw/zinc/91/03/08/923910308.db2.gz VNXGJQLDKWSPCE-IQJOONFLSA-N 2 0 280.376 -0.023 20 0 CBADRP Cc1c(C(=O)N2C[C@H]([NH3+])C3(CC3)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552442065 923910600 /nfs/dbraw/zinc/91/06/00/923910600.db2.gz MOIMACRDXSVRHK-QWRGUYRKSA-N 2 0 290.371 -0.316 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]C2)C[C@H]1n1ccnn1 ZINC001552680106 923912360 /nfs/dbraw/zinc/91/23/60/923912360.db2.gz MAJNIGYBPNZGSV-QJPTWQEYSA-N 2 0 278.360 -0.622 20 0 CBADRP [NH3+][C@@H]1CN(Cc2cnn3c2C[NH2+]CC3)CC[C@@H]1F ZINC001552686292 923913032 /nfs/dbraw/zinc/91/30/32/923913032.db2.gz BBNMOGKFRMJFPL-WDEREUQCSA-N 2 0 253.325 -0.143 20 0 CBADRP CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C[C@@H]21 ZINC001552719716 923917160 /nfs/dbraw/zinc/91/71/60/923917160.db2.gz YZNHDCBQTHMLKR-MELADBBJSA-N 2 0 295.383 -0.561 20 0 CBADRP C[C@H](CNC(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001552770745 923917234 /nfs/dbraw/zinc/91/72/34/923917234.db2.gz CZBQXFKLQXXYOL-ZIAGYGMSSA-N 2 0 297.447 -0.032 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(Cc2cnn3c2C[NH2+]CC3)CCO1 ZINC001552687657 923918318 /nfs/dbraw/zinc/91/83/18/923918318.db2.gz VQFFDUACNRQMMU-ZWNOBZJWSA-N 2 0 265.361 -0.466 20 0 CBADRP O=C(N1CCO[C@@H]2C[NH2+]C[C@@H]21)[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001552842056 923919862 /nfs/dbraw/zinc/91/98/62/923919862.db2.gz CTHFEUTYIDDOKR-FMCLSXCISA-N 2 0 265.357 -0.282 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@]34CCC[C@H]3[NH2+]CC4)CCN2C1=O ZINC001552842651 923920798 /nfs/dbraw/zinc/92/07/98/923920798.db2.gz AIRMOCPDJIEHDC-BLTAXRJOSA-N 2 0 292.383 -0.711 20 0 CBADRP C[C@H](C[NH3+])NC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC001552837458 923920923 /nfs/dbraw/zinc/92/09/23/923920923.db2.gz ZTFJSKABIBUNHO-RQJHMYQMSA-N 2 0 288.302 -0.173 20 0 CBADRP O=C(N1CCO[C@@H]2C[NH2+]C[C@@H]21)[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001552842057 923921217 /nfs/dbraw/zinc/92/12/17/923921217.db2.gz CTHFEUTYIDDOKR-KZVDOYCCSA-N 2 0 265.357 -0.282 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)C[C@H]1n1ccnn1 ZINC001552850772 923923972 /nfs/dbraw/zinc/92/39/72/923923972.db2.gz ISPUUTBRTBEJDA-BYNQJWBRSA-N 2 0 290.371 -0.479 20 0 CBADRP [NH3+]C[C@@H]1CCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC001552900413 923924907 /nfs/dbraw/zinc/92/49/07/923924907.db2.gz MXLWWBPYJNNOJI-LBPRGKRZSA-N 2 0 289.383 -0.088 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N3C[C@@H](N)[C@@H]([NH3+])C3)CC[C@@H]21 ZINC001552961117 923926509 /nfs/dbraw/zinc/92/65/09/923926509.db2.gz RKUFTTQVYJVHKC-WYUUTHIRSA-N 2 0 267.377 -0.897 20 0 CBADRP N[C@@H]1CN(C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001552959917 923926749 /nfs/dbraw/zinc/92/67/49/923926749.db2.gz IGXWRKDEPLYVIV-YRGRVCCFSA-N 2 0 281.404 -0.458 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001552955961 923926984 /nfs/dbraw/zinc/92/69/84/923926984.db2.gz QFIIIAXEEIMFEZ-QWHCGFSZSA-N 2 0 283.420 -0.245 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H](C[NH3+])C3CC3)C2)CC1 ZINC001552955242 923927806 /nfs/dbraw/zinc/92/78/06/923927806.db2.gz RRQXLEYVDSNVRV-ZIAGYGMSSA-N 2 0 295.431 -0.245 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001552955960 923928172 /nfs/dbraw/zinc/92/81/72/923928172.db2.gz QFIIIAXEEIMFEZ-OLZOCXBDSA-N 2 0 283.420 -0.245 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)NC[C@H]([NH3+])C3CC3)C2)CC1 ZINC001552954560 923928651 /nfs/dbraw/zinc/92/86/51/923928651.db2.gz DQJBHMIATKCTQT-KBPBESRZSA-N 2 0 295.431 -0.245 20 0 CBADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001552973076 923929557 /nfs/dbraw/zinc/92/95/57/923929557.db2.gz XVLKWLUTYDAVBH-RWMBFGLXSA-N 2 0 276.388 -0.146 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2C[C@H]3CC[NH+](C)[C@@H]3C2)C1 ZINC001552981276 923929829 /nfs/dbraw/zinc/92/98/29/923929829.db2.gz RKQXGJIWKVYYNX-TZMCWYRMSA-N 2 0 280.416 -0.358 20 0 CBADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CC[C@H]2C[NH2+]C[C@H]21 ZINC001552973333 923932284 /nfs/dbraw/zinc/93/22/84/923932284.db2.gz OTKKVWKLFCZIQV-OUCADQQQSA-N 2 0 276.388 -0.004 20 0 CBADRP CCO[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1C[NH3+] ZINC001553014107 923936909 /nfs/dbraw/zinc/93/69/09/923936909.db2.gz MSCMYZSHEBWTOR-RWMBFGLXSA-N 3 0 269.389 -0.340 20 0 CBADRP CN(C(=O)C1CN(C)CC[NH+](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC001552988482 923937131 /nfs/dbraw/zinc/93/71/31/923937131.db2.gz LHSJUNUDAKQSGG-CYBMUJFWSA-N 2 0 268.405 -0.358 20 0 CBADRP [NH3+][C@@H]1COCCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC001553304313 923946155 /nfs/dbraw/zinc/94/61/55/923946155.db2.gz DONMHWMDGMWRLL-AVGNSLFASA-N 2 0 255.362 -0.586 20 0 CBADRP NC(=O)C12CC(C1)C[N@@H+]2C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC001553304144 923947169 /nfs/dbraw/zinc/94/71/69/923947169.db2.gz ARUPDIDZYBKZFP-QGPNDVEFSA-N 2 0 265.357 -0.295 20 0 CBADRP [NH3+][C@@H]1CN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H]1n1ccnn1 ZINC001553305344 923947867 /nfs/dbraw/zinc/94/78/67/923947867.db2.gz SFOYDTZTKWDWAS-REWJHTLYSA-N 2 0 292.387 -0.769 20 0 CBADRP [NH3+][C@@H]1COCC[C@H]1NCc1ccc(N2CC[NH2+]CC2)o1 ZINC001553310070 923949277 /nfs/dbraw/zinc/94/92/77/923949277.db2.gz QRAICDALYUBGCE-CHWSQXEVSA-N 2 0 280.372 -0.105 20 0 CBADRP F[C@@H]1C[NH2+]C[C@@H]1NCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC001553317155 923950072 /nfs/dbraw/zinc/95/00/72/923950072.db2.gz ZAIZIUSRSXDORI-JLLWLGSASA-N 2 0 268.340 -0.398 20 0 CBADRP F[C@@H]1C[NH2+]C[C@H]1NCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC001553317464 923950715 /nfs/dbraw/zinc/95/07/15/923950715.db2.gz ZAIZIUSRSXDORI-YUSALJHKSA-N 2 0 268.340 -0.398 20 0 CBADRP [NH3+][C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)C[C@H]1n1ccnn1 ZINC001553305401 923951479 /nfs/dbraw/zinc/95/14/79/923951479.db2.gz UHZAKMMOLBUZJP-JHJVBQTASA-N 2 0 264.377 -0.148 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@]12C[NH2+]C[C@H]1COCC2 ZINC001553351214 923952422 /nfs/dbraw/zinc/95/24/22/923952422.db2.gz KHDGUDRVPNCXCC-DYEKYZERSA-N 2 0 267.373 -0.272 20 0 CBADRP C[N@@H+]1CC[C@@]2(C(=O)NCC3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553350762 923952877 /nfs/dbraw/zinc/95/28/77/923952877.db2.gz VKTFOWBHCHHUKA-DZGCQCFKSA-N 2 0 280.416 -0.357 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)c2csc(N3CC[NH2+]CC3)n2)C1 ZINC001553349466 923953219 /nfs/dbraw/zinc/95/32/19/923953219.db2.gz OKNGMBVFWIHTBP-SNVBAGLBSA-N 2 0 295.412 -0.013 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CN(C)CC3)C1 ZINC001553348120 923954290 /nfs/dbraw/zinc/95/42/90/923954290.db2.gz IQXLXTGGVSXHQY-SCRDCRAPSA-N 2 0 266.389 -0.652 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@]12C[NH2+]C[C@@H]1CCOC2 ZINC001553352056 923955455 /nfs/dbraw/zinc/95/54/55/923955455.db2.gz MVNUROVSIGFZDK-MBNYWOFBSA-N 2 0 267.373 -0.272 20 0 CBADRP [NH3+]C[C@H]1CCN(C(=O)c2csc(N3CC[NH2+]CC3)n2)C1 ZINC001553352067 923955888 /nfs/dbraw/zinc/95/58/88/923955888.db2.gz BQMAAJPHZKSZQP-SNVBAGLBSA-N 2 0 295.412 -0.027 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NC[C@H]3CCC[NH2+]C3)C[NH2+]C[C@@H]2C1 ZINC001553355182 923955987 /nfs/dbraw/zinc/95/59/87/923955987.db2.gz UMIBBDMDYBGQGY-GUTXKFCHSA-N 3 0 280.416 -0.357 20 0 CBADRP CN1CC[C@]2(C(=O)N3CC[C@H](C[NH3+])C3)C[NH2+]C[C@@H]2C1 ZINC001553355917 923956084 /nfs/dbraw/zinc/95/60/84/923956084.db2.gz PWDZEZMZEDJWND-BZPMIXESSA-N 2 0 266.389 -0.665 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@]12CC[C@H]1C[NH2+]C2 ZINC001553355131 923956982 /nfs/dbraw/zinc/95/69/82/923956982.db2.gz SZKSKTGTHGDSDR-WCQYABFASA-N 2 0 252.362 -0.993 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCOC3)CC[NH2+]1 ZINC001553354331 923957218 /nfs/dbraw/zinc/95/72/18/923957218.db2.gz IMURZJGAHFTYSV-NTZNESFSSA-N 2 0 253.346 -0.567 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCOC3)CC[C@@H]1[NH3+] ZINC001553353203 923958206 /nfs/dbraw/zinc/95/82/06/923958206.db2.gz DBGSMPPIRRBLIZ-UHXUPSOCSA-N 2 0 267.373 -0.192 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NC[C@@H]3CCC[NH2+]C3)C[NH2+]C[C@H]2C1 ZINC001553355183 923958236 /nfs/dbraw/zinc/95/82/36/923958236.db2.gz UMIBBDMDYBGQGY-IPYPFGDCSA-N 3 0 280.416 -0.357 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1CC[C@@H](CN2CCOCC2)O1 ZINC001553356830 923959869 /nfs/dbraw/zinc/95/98/69/923959869.db2.gz YUTXFPOSOKVPQH-AGIUHOORSA-N 2 0 283.372 -0.656 20 0 CBADRP CN(C(=O)[C@@]12C[NH2+]C[C@H]1COCC2)[C@@H]1CC[NH2+]C1 ZINC001553359404 923959898 /nfs/dbraw/zinc/95/98/98/923959898.db2.gz SPPZAQSAYQXSJC-LOWVWBTDSA-N 2 0 253.346 -0.567 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553357143 923959927 /nfs/dbraw/zinc/95/99/27/923959927.db2.gz VVCXXTFVXVCXTC-LOWVWBTDSA-N 3 0 254.378 -0.619 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CN(C)CC3)CC[C@H]1[NH3+] ZINC001553356680 923960319 /nfs/dbraw/zinc/96/03/19/923960319.db2.gz UIENCOURYIXOON-COMQUAJESA-N 2 0 280.416 -0.277 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NCC(C)(C)[NH3+])C[NH2+]C[C@H]2C1 ZINC001553358604 923961040 /nfs/dbraw/zinc/96/10/40/923961040.db2.gz QLFYFCLODPFHAN-GWCFXTLKSA-N 3 0 254.378 -0.619 20 0 CBADRP [NH3+]C1CCC(NC(=O)[C@@]23C[NH2+]C[C@@H]2CCOC3)CC1 ZINC001553358252 923961865 /nfs/dbraw/zinc/96/18/65/923961865.db2.gz QZKSOVIZFBREKY-DLOFLVKXSA-N 2 0 267.373 -0.001 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CN(C)CC3)C1 ZINC001553355981 923962011 /nfs/dbraw/zinc/96/20/11/923962011.db2.gz QLJGOHGIPDRWHR-UMVBOHGHSA-N 2 0 280.416 -0.262 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@]12C[NH2+]C[C@@H]1CCOC2 ZINC001553358461 923962163 /nfs/dbraw/zinc/96/21/63/923962163.db2.gz PABWPWUZWNYACP-LOWVWBTDSA-N 2 0 255.362 -0.288 20 0 CBADRP CN1CCN(C(=O)[C@@H]2CC23CCC([NH3+])CC3)[C@@H](C[NH3+])C1 ZINC001553358424 923962228 /nfs/dbraw/zinc/96/22/28/923962228.db2.gz HMBYTORUMKKZQI-FMPXUHTOSA-N 2 0 280.416 -0.005 20 0 CBADRP CC(C)NC(=O)CNC(=O)[C@@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553371063 923963940 /nfs/dbraw/zinc/96/39/40/923963940.db2.gz BBVKNAWBWSIURY-FZMZJTMJSA-N 2 0 282.388 -0.832 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@@H]3C[C@H]([NH3+])[C@H]3C2)[C@@H](C[NH3+])C1 ZINC001553360165 923964794 /nfs/dbraw/zinc/96/47/94/923964794.db2.gz QTNHGZKORVGLNM-BNDIWNMDSA-N 2 0 266.389 -0.539 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)CCO1 ZINC001553360903 923965537 /nfs/dbraw/zinc/96/55/37/923965537.db2.gz WGJBDTKMQMPZEA-TUAOUCFPSA-N 2 0 283.372 -0.670 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COCC3)C1 ZINC001553360451 923965887 /nfs/dbraw/zinc/96/58/87/923965887.db2.gz ZTZBGRFSVFFZQV-SCRDCRAPSA-N 2 0 267.373 -0.320 20 0 CBADRP CCCNC(=O)CNC(=O)[C@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553372479 923966383 /nfs/dbraw/zinc/96/63/83/923966383.db2.gz ADOCPAWRNQXGRK-SMDDNHRTSA-N 2 0 282.388 -0.830 20 0 CBADRP Cn1ccc(NC(=O)[C@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)n1 ZINC001553377380 923967808 /nfs/dbraw/zinc/96/78/08/923967808.db2.gz GDMIMHDJLYWFOO-ZWNOBZJWSA-N 2 0 263.345 -0.100 20 0 CBADRP Cn1cc(NC(=O)[C@@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)ccc1=O ZINC001553395796 923969577 /nfs/dbraw/zinc/96/95/77/923969577.db2.gz WMYYASKKBZUYQT-NHYWBVRUSA-N 2 0 290.367 -0.135 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CN(C)CC3)CCO1 ZINC001553378597 923969685 /nfs/dbraw/zinc/96/96/85/923969685.db2.gz VHDXSVWVWHGTOU-YRGRVCCFSA-N 2 0 267.373 -0.225 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CCO1 ZINC001553402951 923975418 /nfs/dbraw/zinc/97/54/18/923975418.db2.gz UTFRREKBSASDJU-OSUNSFLBSA-N 2 0 269.345 -0.920 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553405054 923976441 /nfs/dbraw/zinc/97/64/41/923976441.db2.gz CVHLDAGZEUYYGQ-CSYMLDBXSA-N 2 0 253.346 -0.251 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553405056 923977145 /nfs/dbraw/zinc/97/71/45/923977145.db2.gz CVHLDAGZEUYYGQ-DGORSVRFSA-N 2 0 253.346 -0.251 20 0 CBADRP [NH3+]C[C@H](NC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1)C(F)(F)F ZINC001553407160 923979589 /nfs/dbraw/zinc/97/95/89/923979589.db2.gz GDFQJQXDHANXFK-HSNKUXOKSA-N 2 0 267.251 -0.488 20 0 CBADRP [NH3+]C[C@H](NC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)C(F)(F)F ZINC001553407167 923980688 /nfs/dbraw/zinc/98/06/88/923980688.db2.gz GDFQJQXDHANXFK-XAMCCFCMSA-N 2 0 267.251 -0.488 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553408256 923981959 /nfs/dbraw/zinc/98/19/59/923981959.db2.gz ISIUWNAPNUNWOP-HHKYUTTNSA-N 2 0 257.309 -0.678 20 0 CBADRP C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553408988 923984252 /nfs/dbraw/zinc/98/42/52/923984252.db2.gz KKFXAKLGRLOQAQ-WOPDTQHZSA-N 2 0 253.346 -0.330 20 0 CBADRP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553413838 923987084 /nfs/dbraw/zinc/98/70/84/923987084.db2.gz WEUIRHLOHRWAEF-WISYIIOYSA-N 2 0 253.346 -0.332 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553413997 923987253 /nfs/dbraw/zinc/98/72/53/923987253.db2.gz WMJPBOLWOVHFAG-MRBYEJRBSA-N 2 0 253.346 -0.297 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553414635 923989493 /nfs/dbraw/zinc/98/94/93/923989493.db2.gz RHEYGSXVOIJATK-XGFWRYKXSA-N 2 0 295.383 -0.515 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553414628 923990504 /nfs/dbraw/zinc/99/05/04/923990504.db2.gz RHEYGSXVOIJATK-DGTMBMJNSA-N 2 0 295.383 -0.515 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553425338 923992214 /nfs/dbraw/zinc/99/22/14/923992214.db2.gz RXBGMIXVTVHVKS-UHFZAUJKSA-N 2 0 253.346 -0.238 20 0 CBADRP [NH3+]CCC1CC(NC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553430011 923994786 /nfs/dbraw/zinc/99/47/86/923994786.db2.gz SODSZXQKABSYTM-ULOBAINLSA-N 2 0 253.346 -0.251 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553428226 923995946 /nfs/dbraw/zinc/99/59/46/923995946.db2.gz FZYVOXJFJCLTSM-GCHJQGSQSA-N 2 0 253.346 -0.523 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C[C@@H]1CC[NH3+] ZINC001553429328 923997091 /nfs/dbraw/zinc/99/70/91/923997091.db2.gz KRSYSFZGEASGGW-MOLYVOAJSA-N 2 0 267.373 -0.051 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553432731 923998425 /nfs/dbraw/zinc/99/84/25/923998425.db2.gz SFNFYQHVASCJSA-OSUNSFLBSA-N 2 0 253.346 -0.251 20 0 CBADRP C[C@H](NC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)[C@@H]1C[N@H+](C)CCN1C ZINC001553430929 923998587 /nfs/dbraw/zinc/99/85/87/923998587.db2.gz WTKZTXZQTHYTIW-PEDHHIEDSA-N 2 0 296.415 -0.744 20 0 CBADRP [NH3+]C[C@@H]1[C@H]2CN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@H]21 ZINC001553443742 924001568 /nfs/dbraw/zinc/00/15/68/924001568.db2.gz IVWICQNTKPSRFI-KSTCHIGDSA-N 2 0 294.399 -0.304 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001553450178 924001710 /nfs/dbraw/zinc/00/17/10/924001710.db2.gz OTPFXAJXFCRGJF-ZFWWWQNUSA-N 2 0 295.431 -0.230 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553493990 924009593 /nfs/dbraw/zinc/00/95/93/924009593.db2.gz FALWUENSNGGXRQ-UWVGGRQHSA-N 2 0 256.350 -0.517 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553494290 924009670 /nfs/dbraw/zinc/00/96/70/924009670.db2.gz DXEOZTGXVKTVJD-FRRDWIJNSA-N 2 0 284.404 -0.178 20 0 CBADRP [NH3+]C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)C1CC1 ZINC001553494643 924009866 /nfs/dbraw/zinc/00/98/66/924009866.db2.gz CINZDDWPDGQSQR-BFHYXJOUSA-N 2 0 296.415 -0.036 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+]C1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553492824 924010751 /nfs/dbraw/zinc/01/07/51/924010751.db2.gz APLMOFXIZGWLCZ-MCIONIFRSA-N 2 0 296.415 -0.164 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NC[C@H]2CC[NH2+]C2)CC12CCOCC2 ZINC001553498343 924012535 /nfs/dbraw/zinc/01/25/35/924012535.db2.gz TYAAPKPCEYLUAN-NWDGAFQWSA-N 2 0 282.388 -0.255 20 0 CBADRP [NH3+][C@]12CC[C@@H]1CN(C(=O)NC[C@@H]1C[NH2+]CCO1)C2 ZINC001553499982 924012723 /nfs/dbraw/zinc/01/27/23/924012723.db2.gz AFDWUYIWLYCLGU-SCVCMEIPSA-N 2 0 254.334 -0.893 20 0 CBADRP [NH3+]C[C@@H]1[C@H]2CN(C(=O)N[C@H]3CCCC[NH2+]C3)C[C@H]21 ZINC001553501065 924013339 /nfs/dbraw/zinc/01/33/39/924013339.db2.gz FKBXNXFOONRVOT-FIQHERPVSA-N 2 0 252.362 -0.025 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553497868 924014658 /nfs/dbraw/zinc/01/46/58/924014658.db2.gz QZPHSBXNEOKHJE-QWRGUYRKSA-N 2 0 270.377 -0.351 20 0 CBADRP C[NH2+][C@@H](C)CNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553503358 924015948 /nfs/dbraw/zinc/01/59/48/924015948.db2.gz PCYVUSKZXJQESK-WDEREUQCSA-N 2 0 270.377 -0.338 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553507186 924017327 /nfs/dbraw/zinc/01/73/27/924017327.db2.gz JXBZLYIDDDTMIY-WDEREUQCSA-N 2 0 270.377 -0.338 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553507183 924017533 /nfs/dbraw/zinc/01/75/33/924017533.db2.gz JXBZLYIDDDTMIY-MNOVXSKESA-N 2 0 270.377 -0.338 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)NC1(C2CC[NH2+]CC2)CC1 ZINC001553505216 924017730 /nfs/dbraw/zinc/01/77/30/924017730.db2.gz SLGWJHCNGQJKIC-GFCCVEGCSA-N 2 0 282.388 -0.194 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553501926 924017941 /nfs/dbraw/zinc/01/79/41/924017941.db2.gz IUTDGPVLTUJNCG-NEPJUHHUSA-N 2 0 298.387 -0.957 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)N2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)C[NH2+]1 ZINC001553513834 924018920 /nfs/dbraw/zinc/01/89/20/924018920.db2.gz IXOGIGOJLQDPAB-OOCWMUITSA-N 2 0 252.362 -0.027 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)CC12CCC2 ZINC001553512279 924018952 /nfs/dbraw/zinc/01/89/52/924018952.db2.gz DOGDQFNODKPPAU-WDEREUQCSA-N 2 0 268.361 -0.502 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CC12CCOCC2 ZINC001553511018 924019585 /nfs/dbraw/zinc/01/95/85/924019585.db2.gz VGEPFKNGMZBPNM-WDEREUQCSA-N 2 0 268.361 -0.502 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NC[C@H]2CCC[NH2+]2)CC12CCOCC2 ZINC001553511144 924020406 /nfs/dbraw/zinc/02/04/06/924020406.db2.gz VXIZLIMDAGWAAL-VXGBXAGGSA-N 2 0 282.388 -0.112 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553525211 924023246 /nfs/dbraw/zinc/02/32/46/924023246.db2.gz GRFSYVXILULVEL-GRYCIOLGSA-N 2 0 282.388 -0.338 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)N3C[C@H](N)[C@@H]([NH3+])C3)C[C@@H]2C1 ZINC001553523488 924023920 /nfs/dbraw/zinc/02/39/20/924023920.db2.gz FGQMKTYXCGLBMV-BJJPWKGXSA-N 2 0 295.431 -0.261 20 0 CBADRP N[C@@H]1CN(C(=O)N2C[C@@]34C[NH2+]C[C@]3(C2)CCCC4)C[C@H]1[NH3+] ZINC001553531907 924024666 /nfs/dbraw/zinc/02/46/66/924024666.db2.gz TZQYBDBGAURNIC-GBOPCIDUSA-N 2 0 293.415 -0.458 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH3+])C1 ZINC001553534229 924025826 /nfs/dbraw/zinc/02/58/26/924025826.db2.gz WPDQKNUPCDEYTR-KKOKHZNYSA-N 2 0 292.387 -0.536 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001553529978 924026938 /nfs/dbraw/zinc/02/69/38/924026938.db2.gz PUYINKORLRFVFI-FZMZJTMJSA-N 2 0 281.404 -0.458 20 0 CBADRP [NH3+]CC1(CNC(=O)N2C[C@@H]([NH3+])C3(C2)CCOCC3)CC1 ZINC001553534379 924026983 /nfs/dbraw/zinc/02/69/83/924026983.db2.gz YBTXOZOKOMKYSV-LLVKDONJSA-N 2 0 282.388 -0.125 20 0 CBADRP [NH3+]CC1CC(NC(=O)N2C[C@@H]([NH3+])C3(C2)CCOCC3)C1 ZINC001553538716 924027520 /nfs/dbraw/zinc/02/75/20/924027520.db2.gz NYPJFFZPVAODCM-HTAVTVPLSA-N 2 0 282.388 -0.127 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N1CC[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001553541036 924027755 /nfs/dbraw/zinc/02/77/55/924027755.db2.gz DLHJKNXYBAPUKI-FIQHERPVSA-N 2 0 270.352 -0.063 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@H]1F)N1CCC[C@@]12CC[NH2+]C2 ZINC001553545924 924028771 /nfs/dbraw/zinc/02/87/71/924028771.db2.gz TUWASTDJLMIUDM-FOGDFJRCSA-N 2 0 256.325 -0.166 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNc2nccnc2C[NH3+])C1 ZINC001559090174 924212346 /nfs/dbraw/zinc/21/23/46/924212346.db2.gz OFDMIYUUDIVSJZ-LLVKDONJSA-N 2 0 292.387 -0.065 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2C[C@H](O)C2(C)C)CC1 ZINC000573324125 334927785 /nfs/dbraw/zinc/92/77/85/334927785.db2.gz HNCGZURZLYTQSY-AGIUHOORSA-N 2 0 271.405 -0.656 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420161293 282089224 /nfs/dbraw/zinc/08/92/24/282089224.db2.gz CARBRCGKMUCGHC-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP COCC[N@H+](C)CCNC(=O)c1c[nH+]ccc1N ZINC000127644655 187322153 /nfs/dbraw/zinc/32/21/53/187322153.db2.gz NQMZPQGPZUWSFY-UHFFFAOYSA-N 2 0 252.318 -0.028 20 0 CBADRP COCC[C@]1(C(=O)N[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000366414884 230245088 /nfs/dbraw/zinc/24/50/88/230245088.db2.gz PNEOVQUEBYTOOI-DGCLKSJQSA-N 2 0 255.362 -0.129 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000125209736 187174890 /nfs/dbraw/zinc/17/48/90/187174890.db2.gz PXTAGMXHTUSOBW-GFCCVEGCSA-N 2 0 282.388 -0.462 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NCC[NH+]1CCC1 ZINC000337734098 214238696 /nfs/dbraw/zinc/23/86/96/214238696.db2.gz ZJPDXZHXJKXCDM-UHFFFAOYSA-N 2 0 258.366 -0.431 20 0 CBADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000113514967 282135852 /nfs/dbraw/zinc/13/58/52/282135852.db2.gz BZAMHAMCSYIUDT-ZIAGYGMSSA-N 2 0 271.405 -0.437 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000125228953 187175652 /nfs/dbraw/zinc/17/56/52/187175652.db2.gz IBAKRKSUEOWDSR-CYBMUJFWSA-N 2 0 296.415 -0.072 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377562202 230293716 /nfs/dbraw/zinc/29/37/16/230293716.db2.gz JSAJXCMWNOKXLE-CHWSQXEVSA-N 2 0 298.456 -0.412 20 0 CBADRP C[NH2+]CC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000514857768 290638168 /nfs/dbraw/zinc/63/81/68/290638168.db2.gz HUJOCHLSDFZKAZ-SNVBAGLBSA-N 2 0 256.350 -0.948 20 0 CBADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCCN1CC[NH2+]CC1 ZINC000125788993 187199982 /nfs/dbraw/zinc/19/99/82/187199982.db2.gz GEBWYPHRARCHSB-AGUYFDCRSA-N 2 0 280.416 -0.072 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377590900 290672040 /nfs/dbraw/zinc/67/20/40/290672040.db2.gz ZRPQOLTUADZDPK-NEPJUHHUSA-N 2 0 254.378 -0.652 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@H]1[NH3+] ZINC000331515463 290673002 /nfs/dbraw/zinc/67/30/02/290673002.db2.gz BYBNPHBTVUOGFS-WDEREUQCSA-N 2 0 282.388 -0.608 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000573446276 334938614 /nfs/dbraw/zinc/93/86/14/334938614.db2.gz UZNRCHZPALWXMH-FIQHERPVSA-N 2 0 255.362 -0.410 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000423236595 282251726 /nfs/dbraw/zinc/25/17/26/282251726.db2.gz OLHDZXKGQLSQJT-LBPRGKRZSA-N 2 0 296.415 -0.251 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343995316 293177407 /nfs/dbraw/zinc/17/74/07/293177407.db2.gz YPAAMQCFTRONAG-RBSFLKMASA-N 2 0 285.432 -0.049 20 0 CBADRP CNC(=O)C[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000351482301 219101119 /nfs/dbraw/zinc/10/11/19/219101119.db2.gz IRVJLWDCPKFTST-GFCCVEGCSA-N 2 0 256.394 -0.262 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351517516 219113161 /nfs/dbraw/zinc/11/31/61/219113161.db2.gz ANKZBBJJYHTVMN-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000351516538 219112126 /nfs/dbraw/zinc/11/21/26/219112126.db2.gz GHDQHTHIOBVDHA-NWDGAFQWSA-N 2 0 280.372 -0.839 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC[NH+]1CCCC1 ZINC000351517810 219112886 /nfs/dbraw/zinc/11/28/86/219112886.db2.gz AVZXKOVFPSDQPX-NSHDSACASA-N 2 0 268.361 -0.933 20 0 CBADRP CNC(=O)CC[NH+](C)CCC[N@@H+](C)CCC(=O)NC ZINC000172654532 529856639 /nfs/dbraw/zinc/85/66/39/529856639.db2.gz BNIJPDVKHQFXEC-UHFFFAOYSA-N 2 0 272.393 -0.488 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000351541900 219120523 /nfs/dbraw/zinc/12/05/23/219120523.db2.gz QKLNJFWREIXDCU-QWHCGFSZSA-N 2 0 294.399 -0.449 20 0 CBADRP CC[N@H+](CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000351555306 219124941 /nfs/dbraw/zinc/12/49/41/219124941.db2.gz LHKGBHSUMWETMS-GFCCVEGCSA-N 2 0 282.388 -0.545 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000364133101 295724764 /nfs/dbraw/zinc/72/47/64/295724764.db2.gz XCMYJQNYAAJREL-SECBINFHSA-N 2 0 263.345 -0.073 20 0 CBADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000351851295 219224657 /nfs/dbraw/zinc/22/46/57/219224657.db2.gz LHZJBARXDWJEAM-DYEKYZERSA-N 2 0 296.415 -0.265 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000573813740 334968562 /nfs/dbraw/zinc/96/85/62/334968562.db2.gz YWHQDIBSKZDRSC-KBPBESRZSA-N 2 0 298.431 -0.806 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000352004073 219284223 /nfs/dbraw/zinc/28/42/23/219284223.db2.gz NUDBPGVQZXTQPZ-CMPLNLGQSA-N 2 0 272.393 -0.280 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339580248 215255463 /nfs/dbraw/zinc/25/54/63/215255463.db2.gz IHRXFHLHGULPGY-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CC[NH+](CC2CC2)CC1 ZINC000091301116 180128692 /nfs/dbraw/zinc/12/86/92/180128692.db2.gz USYHVZONLKFTRR-ZDUSSCGKSA-N 2 0 267.373 -0.081 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091549061 180188271 /nfs/dbraw/zinc/18/82/71/180188271.db2.gz VUWQCCQOASCCPT-QWHCGFSZSA-N 2 0 268.405 -0.133 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000352095854 219318991 /nfs/dbraw/zinc/31/89/91/219318991.db2.gz BQYQGGGAOCEKIN-ZDUSSCGKSA-N 2 0 286.420 -0.066 20 0 CBADRP CCNC(=O)NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000110649823 186309476 /nfs/dbraw/zinc/30/94/76/186309476.db2.gz NBGNDGOBHUCTCE-SECBINFHSA-N 2 0 256.350 -0.109 20 0 CBADRP C[NH2+]CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000036457546 351391208 /nfs/dbraw/zinc/39/12/08/351391208.db2.gz UWIXJOMNLBAZGD-UHFFFAOYSA-N 3 0 258.410 -0.062 20 0 CBADRP C[NH+](C)Cc1cccc(NC(=O)CNC(=O)C[NH3+])c1 ZINC000037628007 351400736 /nfs/dbraw/zinc/40/07/36/351400736.db2.gz BBAJKBHDNFWUFG-UHFFFAOYSA-N 2 0 264.329 -0.238 20 0 CBADRP C[NH+]1CCN(CCNC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000042168164 351427979 /nfs/dbraw/zinc/42/79/79/351427979.db2.gz NKBJAFWFVUDBKY-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCN1CC[NH2+]CC1 ZINC000043499906 351441660 /nfs/dbraw/zinc/44/16/60/351441660.db2.gz KSRRKJMPEUUEGB-RYUDHWBXSA-N 2 0 254.378 -0.523 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826205 351408491 /nfs/dbraw/zinc/40/84/91/351408491.db2.gz KURMJLDVTHSVIG-UHFFFAOYSA-N 2 0 282.388 -0.604 20 0 CBADRP CC(C)C[C@@H](CNC(=O)CNC(=O)C[NH3+])[NH+](C)C ZINC000040831367 351419618 /nfs/dbraw/zinc/41/96/18/351419618.db2.gz YUJTYPYBIHMJJA-JTQLQIEISA-N 2 0 258.366 -0.846 20 0 CBADRP C[NH+](C)C1(CNC(=O)CNC(=O)C[NH3+])CCCCC1 ZINC000040803531 351419712 /nfs/dbraw/zinc/41/97/12/351419712.db2.gz JBHQRPHLSMUAHM-UHFFFAOYSA-N 2 0 270.377 -0.558 20 0 CBADRP CCNC(=O)C[N@H+](CC)CCC(=O)N1CC[NH2+]CC1 ZINC000053298854 351526166 /nfs/dbraw/zinc/52/61/66/351526166.db2.gz CFKDPYJRZAWJFP-UHFFFAOYSA-N 2 0 270.377 -0.734 20 0 CBADRP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298907 351526708 /nfs/dbraw/zinc/52/67/08/351526708.db2.gz ZIUUGTDGOHTEBA-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP CNC(=O)[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298881 351526828 /nfs/dbraw/zinc/52/68/28/351526828.db2.gz BJOBPSZDTRWWRU-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298902 351526852 /nfs/dbraw/zinc/52/68/52/351526852.db2.gz ZIUUGTDGOHTEBA-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973523 351577685 /nfs/dbraw/zinc/57/76/85/351577685.db2.gz RJNOZMZTTZIRGT-LLVKDONJSA-N 2 0 268.361 -0.852 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000062972610 351577793 /nfs/dbraw/zinc/57/77/93/351577793.db2.gz HUVIPTMRUUWJEB-RYUDHWBXSA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH2+]CC1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000063166228 351579405 /nfs/dbraw/zinc/57/94/05/351579405.db2.gz HDFOTEMQVQJPPS-UHFFFAOYSA-N 2 0 280.372 -0.485 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000063124119 351579493 /nfs/dbraw/zinc/57/94/93/351579493.db2.gz NDWBXWIUUWBENJ-VXGBXAGGSA-N 2 0 255.362 -0.491 20 0 CBADRP Cn1nccc1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178295 351580217 /nfs/dbraw/zinc/58/02/17/351580217.db2.gz UWRLNRRQLLROQA-NSHDSACASA-N 2 0 265.361 -0.293 20 0 CBADRP CN(C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)C1CC1 ZINC000063179963 351580419 /nfs/dbraw/zinc/58/04/19/351580419.db2.gz UNJJBPIHXGCVOZ-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000063179689 351580444 /nfs/dbraw/zinc/58/04/44/351580444.db2.gz XJGMQKISMZVZSU-GFCCVEGCSA-N 2 0 282.388 -0.604 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000063179606 351580499 /nfs/dbraw/zinc/58/04/99/351580499.db2.gz WCGRJMWFPSWPDN-ZDUSSCGKSA-N 2 0 296.415 -0.214 20 0 CBADRP CCCNC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179817 351580513 /nfs/dbraw/zinc/58/05/13/351580513.db2.gz QACHKDIYNMVDDM-NSHDSACASA-N 2 0 270.377 -0.701 20 0 CBADRP Cn1cc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cn1 ZINC000063178723 351580701 /nfs/dbraw/zinc/58/07/01/351580701.db2.gz CKWFPKDBUZVZQH-LBPRGKRZSA-N 2 0 265.361 -0.293 20 0 CBADRP CCCCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179955 351580729 /nfs/dbraw/zinc/58/07/29/351580729.db2.gz ARATVQHRKKLBRA-GFCCVEGCSA-N 2 0 284.404 -0.310 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000063178674 351580745 /nfs/dbraw/zinc/58/07/45/351580745.db2.gz QPJRDUBVFDGROF-NWDGAFQWSA-N 2 0 255.362 -0.190 20 0 CBADRP COC(=O)CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179786 351580771 /nfs/dbraw/zinc/58/07/71/351580771.db2.gz UQUBMIDJEJPCKM-LLVKDONJSA-N 2 0 271.361 -0.274 20 0 CBADRP Cn1c(C[NH+]2CCC(CC[NH3+])CC2)cc(=O)n(C)c1=O ZINC000070188517 351636472 /nfs/dbraw/zinc/63/64/72/351636472.db2.gz JUSFJAPOLRWLKK-UHFFFAOYSA-N 2 0 280.372 -0.355 20 0 CBADRP CNC(=O)NC(=O)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000070189748 351636483 /nfs/dbraw/zinc/63/64/83/351636483.db2.gz REUPOLLGTGPLKY-UHFFFAOYSA-N 2 0 256.350 -0.237 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000068807759 351621960 /nfs/dbraw/zinc/62/19/60/351621960.db2.gz YYEKGFDHKNOFEC-NEPJUHHUSA-N 2 0 256.394 -0.278 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000079515989 351693497 /nfs/dbraw/zinc/69/34/97/351693497.db2.gz KJYIUPYWBLBNJV-ZDUSSCGKSA-N 2 0 254.378 -0.508 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1CC[NH2+]C1 ZINC000091668373 351745874 /nfs/dbraw/zinc/74/58/74/351745874.db2.gz PGUDULZDOMHXST-IJLUTSLNSA-N 2 0 253.346 -0.425 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000092953288 351754838 /nfs/dbraw/zinc/75/48/38/351754838.db2.gz MMEHURCXMASEOJ-RYUDHWBXSA-N 2 0 254.378 -0.652 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000092953286 351754982 /nfs/dbraw/zinc/75/49/82/351754982.db2.gz MMEHURCXMASEOJ-NWDGAFQWSA-N 2 0 254.378 -0.652 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072290 351763388 /nfs/dbraw/zinc/76/33/88/351763388.db2.gz ABPITFQBBPRDHD-JTQLQIEISA-N 2 0 286.376 -0.340 20 0 CBADRP C[NH+](C)CC(=O)NCC(C)(C)CNC(=O)C[NH+](C)C ZINC000111620173 351803438 /nfs/dbraw/zinc/80/34/38/351803438.db2.gz ZWMODCMEKMVPKC-UHFFFAOYSA-N 2 0 272.393 -0.632 20 0 CBADRP CC(C)C[NH+]1CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000126195317 351858934 /nfs/dbraw/zinc/85/89/34/351858934.db2.gz PUVLQPQZOLKYEC-AWEZNQCLSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@H]1CC[NH2+][C@H](C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000126485715 351860909 /nfs/dbraw/zinc/86/09/09/351860909.db2.gz HUMBXNOPDKGEKF-STQMWFEESA-N 2 0 268.405 -0.262 20 0 CBADRP C[NH2+]CCCN(C)C(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000126450481 351861061 /nfs/dbraw/zinc/86/10/61/351861061.db2.gz JMFNELSNNJGXCV-NSHDSACASA-N 2 0 258.366 -0.846 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000130516632 351880799 /nfs/dbraw/zinc/88/07/99/351880799.db2.gz HSFCPWGVYLBHAK-UPJWGTAASA-N 2 0 283.372 -0.656 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CC(N)=O ZINC000142904011 351925377 /nfs/dbraw/zinc/92/53/77/351925377.db2.gz DBZUDWVWHPAAQH-UHFFFAOYSA-N 2 0 272.393 -0.406 20 0 CBADRP CC[NH2+]CC1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000131577847 351887826 /nfs/dbraw/zinc/88/78/26/351887826.db2.gz ICWPQHJSMNXXNK-UHFFFAOYSA-N 2 0 256.350 -0.107 20 0 CBADRP [NH3+][C@H](Cc1ccccc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000131665692 351887890 /nfs/dbraw/zinc/88/78/90/351887890.db2.gz QAKJSTFDQMJUGH-CQSZACIVSA-N 2 0 276.384 -0.422 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000131753720 351888524 /nfs/dbraw/zinc/88/85/24/351888524.db2.gz ACCVYUOSMVSHNV-GHMZBOCLSA-N 2 0 268.361 -0.948 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000131753960 351889033 /nfs/dbraw/zinc/88/90/33/351889033.db2.gz ACCVYUOSMVSHNV-MNOVXSKESA-N 2 0 268.361 -0.948 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000132163550 351890698 /nfs/dbraw/zinc/89/06/98/351890698.db2.gz CUWVAVVPNXRIHM-NWDGAFQWSA-N 2 0 282.388 -0.558 20 0 CBADRP C[NH+](C)CCNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000133718322 351901362 /nfs/dbraw/zinc/90/13/62/351901362.db2.gz LKFPIBSLRYHTCW-LBPRGKRZSA-N 2 0 299.419 -0.565 20 0 CBADRP C[C@@H]1CN(CC(=O)N2CCN(C)CC2)C[C@H](C)O1 ZINC000154286941 351946362 /nfs/dbraw/zinc/94/63/62/351946362.db2.gz XMUKRFXUWQWPDD-TXEJJXNPSA-N 2 0 255.362 -0.130 20 0 CBADRP CSCC[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000157336468 351955399 /nfs/dbraw/zinc/95/53/99/351955399.db2.gz ORISWTCFDKLMPL-QWRGUYRKSA-N 2 0 275.418 -0.144 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000157556621 351956075 /nfs/dbraw/zinc/95/60/75/351956075.db2.gz GEPKTJBGXZSCEK-WDEREUQCSA-N 2 0 268.361 -0.901 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157780689 351957873 /nfs/dbraw/zinc/95/78/73/351957873.db2.gz XLLBQCFHNUCMPU-QWHCGFSZSA-N 2 0 266.389 -0.365 20 0 CBADRP C[C@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2)CC[N@@H+]1C ZINC000157865779 351957961 /nfs/dbraw/zinc/95/79/61/351957961.db2.gz MJNZLYDSRLQMPA-NWDGAFQWSA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN2CCOCC2)CC[N@@H+]1C ZINC000158249691 351958911 /nfs/dbraw/zinc/95/89/11/351958911.db2.gz ZWPSUAYSIDXIRF-RDBSUJKOSA-N 2 0 271.405 -0.248 20 0 CBADRP CN1CCN(C(=O)CC2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000162476068 351978337 /nfs/dbraw/zinc/97/83/37/351978337.db2.gz FZYNVDDLFGSDFV-GFCCVEGCSA-N 3 0 254.378 -0.523 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCC1CC[NH+](C)CC1 ZINC000162757400 351979320 /nfs/dbraw/zinc/97/93/20/351979320.db2.gz ZDHZSFLUHASACI-AWEZNQCLSA-N 2 0 298.431 -0.066 20 0 CBADRP C[NH+](C)CCNC(=O)[C@@H]1CCC[C@H]1C(=O)NCC[NH+](C)C ZINC000163687547 351982847 /nfs/dbraw/zinc/98/28/47/351982847.db2.gz NPIOORPQAGHUND-CHWSQXEVSA-N 2 0 298.431 -0.242 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000167405432 351989737 /nfs/dbraw/zinc/98/97/37/351989737.db2.gz IUTBOTPMOPPYDK-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000167407351 351989741 /nfs/dbraw/zinc/98/97/41/351989741.db2.gz FNQMGDULQFYYID-ZDUSSCGKSA-N 2 0 296.415 -0.392 20 0 CBADRP [NH3+]CCC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000167412928 351989791 /nfs/dbraw/zinc/98/97/91/351989791.db2.gz BCSVDMBTJOYNIM-UHFFFAOYSA-N 2 0 268.361 -0.898 20 0 CBADRP CNC(=O)CC[NH+](C)C/C=C/C[N@@H+](C)CCC(=O)NC ZINC000170781937 352001647 /nfs/dbraw/zinc/00/16/47/352001647.db2.gz BMFXYVFZKQXJTP-AATRIKPKSA-N 2 0 284.404 -0.322 20 0 CBADRP CN1CC[C@H]([N@H+](C)CCCN2CC[NH+](C)CC2)C1=O ZINC000174713005 352049916 /nfs/dbraw/zinc/04/99/16/352049916.db2.gz PDCIQRKBMDEDPM-ZDUSSCGKSA-N 2 0 268.405 -0.214 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000186786073 352131291 /nfs/dbraw/zinc/13/12/91/352131291.db2.gz WLZCDHRLWZABJE-JHJVBQTASA-N 2 0 296.415 -0.489 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000178759130 352083763 /nfs/dbraw/zinc/08/37/63/352083763.db2.gz DNHAQCFRFNXXFG-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)C[N@@H+]1C1CC1 ZINC000178867391 352084292 /nfs/dbraw/zinc/08/42/92/352084292.db2.gz NQPLSGXMZDNHIN-FOGDFJRCSA-N 2 0 253.346 -0.284 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000178877591 352084438 /nfs/dbraw/zinc/08/44/38/352084438.db2.gz RQMNTPSSCKZQRK-KGLIPLIRSA-N 2 0 282.432 -0.014 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000178880607 352084706 /nfs/dbraw/zinc/08/47/06/352084706.db2.gz MWZXWWHXLWLBPV-STQMWFEESA-N 2 0 268.405 -0.119 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)C[NH2+]CCOC)CC1 ZINC000178874183 352084786 /nfs/dbraw/zinc/08/47/86/352084786.db2.gz XUXYJBWJAVEDQE-CYBMUJFWSA-N 2 0 286.420 -0.635 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000178880617 352084789 /nfs/dbraw/zinc/08/47/89/352084789.db2.gz MWZXWWHXLWLBPV-OLZOCXBDSA-N 2 0 268.405 -0.119 20 0 CBADRP OC[C@H]1CCCN1CC(O)C[N@@H+]1CCC[C@@H]1CO ZINC000181799942 352101303 /nfs/dbraw/zinc/10/13/03/352101303.db2.gz XMRVUDHHSQONKS-VXGBXAGGSA-N 2 0 258.362 -0.739 20 0 CBADRP C[C@@]1(O)CC[NH+](CC2(C[N@H+]3CC[C@@](C)(O)C3)COC2)C1 ZINC000182214101 352102894 /nfs/dbraw/zinc/10/28/94/352102894.db2.gz RJIAMSJNFSXZBK-ZIAGYGMSSA-N 2 0 284.400 -0.084 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188796358 352159802 /nfs/dbraw/zinc/15/98/02/352159802.db2.gz CLCDCLLGXXRMDH-FRRDWIJNSA-N 2 0 286.395 -0.171 20 0 CBADRP CC[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[N@@H+]1C[C@@H](C)O ZINC000188187626 352148726 /nfs/dbraw/zinc/14/87/26/352148726.db2.gz ZQDIGYUFGXQDJA-FRRDWIJNSA-N 2 0 285.388 -0.722 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000219036627 352236615 /nfs/dbraw/zinc/23/66/15/352236615.db2.gz MVVNNVWHWDWDTF-GWCFXTLKSA-N 2 0 284.404 -0.315 20 0 CBADRP C[NH2+]CCCC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000193706994 352208674 /nfs/dbraw/zinc/20/86/74/352208674.db2.gz VKNCKZYBMSGFNR-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP C[C@@H]1C[NH+](CC(O)C[N@H+]2C[C@@H](C)[C@H](CO)C2)C[C@H]1CO ZINC000194837849 352218873 /nfs/dbraw/zinc/21/88/73/352218873.db2.gz ZEBUUJBDTNNDNR-MQYQWHSLSA-N 2 0 286.416 -0.532 20 0 CBADRP C[NH2+]CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000195187074 352222767 /nfs/dbraw/zinc/22/27/67/352222767.db2.gz GMXYWUQQRKKISL-UHFFFAOYSA-N 2 0 263.345 -0.009 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@H](C[NH3+])OC)CC1 ZINC000227369289 352257418 /nfs/dbraw/zinc/25/74/18/352257418.db2.gz XPXUQVWDLKWXCP-LLVKDONJSA-N 2 0 259.350 -0.859 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000227373496 352257559 /nfs/dbraw/zinc/25/75/59/352257559.db2.gz XFTWGCZRGYWHIY-CHWSQXEVSA-N 2 0 286.420 -0.652 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000227555081 352258278 /nfs/dbraw/zinc/25/82/78/352258278.db2.gz WSLCLIAHWUGMMX-NEPJUHHUSA-N 2 0 286.445 -0.557 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000228477334 352262364 /nfs/dbraw/zinc/26/23/64/352262364.db2.gz KGDFGEQGPIRMFC-GMTAPVOTSA-N 2 0 266.345 -0.403 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NCC[NH+]1CCSCC1 ZINC000230936034 352275257 /nfs/dbraw/zinc/27/52/57/352275257.db2.gz ZYHQUMSDQRAGOC-LLVKDONJSA-N 2 0 273.402 -0.470 20 0 CBADRP CC(=O)NCC1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000226306833 352251095 /nfs/dbraw/zinc/25/10/95/352251095.db2.gz PXWFARMLUMAORC-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000232117031 352279548 /nfs/dbraw/zinc/27/95/48/352279548.db2.gz KPWKGRQBDVJONE-LBPRGKRZSA-N 2 0 273.377 -0.469 20 0 CBADRP C[NH+](C)CCOCCNC(=O)c1csc(CC[NH3+])n1 ZINC000234239557 352281901 /nfs/dbraw/zinc/28/19/01/352281901.db2.gz JRYCOAJNFOQJTQ-UHFFFAOYSA-N 2 0 286.401 -0.048 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000236592546 352290984 /nfs/dbraw/zinc/29/09/84/352290984.db2.gz PHODEMCPXAPTKI-CHWSQXEVSA-N 2 0 298.431 -0.114 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000236874614 352294876 /nfs/dbraw/zinc/29/48/76/352294876.db2.gz UCIMPANYHRMFTJ-ZDUSSCGKSA-N 2 0 268.405 -0.133 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000236874697 352295029 /nfs/dbraw/zinc/29/50/29/352295029.db2.gz KGCQUUHVGOLQCU-CYBMUJFWSA-N 2 0 268.405 -0.118 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237087092 352298471 /nfs/dbraw/zinc/29/84/71/352298471.db2.gz NTVGCZTXUQKSRJ-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]([NH3+])C2CC2)CC1=O ZINC000237160819 352300231 /nfs/dbraw/zinc/30/02/31/352300231.db2.gz IDWCOHFDXRMCAV-RYUDHWBXSA-N 2 0 282.388 -0.750 20 0 CBADRP CN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C1CC[NH2+]CC1 ZINC000237161509 352300235 /nfs/dbraw/zinc/30/02/35/352300235.db2.gz KBOIYNRJYBPJLD-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NCC(C)(C)[NH3+])CC1=O ZINC000237155502 352300520 /nfs/dbraw/zinc/30/05/20/352300520.db2.gz FUPPMMVLLYXQEO-SNVBAGLBSA-N 2 0 270.377 -0.750 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC([NH3+])CC2)CC1=O ZINC000237159834 352300805 /nfs/dbraw/zinc/30/08/05/352300805.db2.gz YEQUWOBBSUJEDX-NSHDSACASA-N 2 0 282.388 -0.654 20 0 CBADRP COCC[NH2+]CCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000237278374 352302204 /nfs/dbraw/zinc/30/22/04/352302204.db2.gz FPVZHJNTYMEIQI-LLVKDONJSA-N 2 0 259.350 -0.893 20 0 CBADRP COCC[NH2+]CCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237278336 352302269 /nfs/dbraw/zinc/30/22/69/352302269.db2.gz FPVZHJNTYMEIQI-NSHDSACASA-N 2 0 259.350 -0.893 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000237240380 352302492 /nfs/dbraw/zinc/30/24/92/352302492.db2.gz WIXWSRSRXBUCTD-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH2+]CCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000237384395 352303945 /nfs/dbraw/zinc/30/39/45/352303945.db2.gz SGUCYZOICNDUQS-UHFFFAOYSA-N 2 0 291.399 -0.071 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000237670962 352308386 /nfs/dbraw/zinc/30/83/86/352308386.db2.gz NSVOZJONNRLVKW-XQQFMLRXSA-N 2 0 285.388 -0.410 20 0 CBADRP [NH3+]CCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000237868699 352310973 /nfs/dbraw/zinc/31/09/73/352310973.db2.gz ABJLYQNDRRNACA-UHFFFAOYSA-N 2 0 277.372 -0.331 20 0 CBADRP [NH3+]CCCC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000237902015 352311067 /nfs/dbraw/zinc/31/10/67/352311067.db2.gz KISCGXJZDDNXOG-UHFFFAOYSA-N 2 0 282.388 -0.508 20 0 CBADRP O=C([C@H]1CC[NH2+]C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000238006746 352312727 /nfs/dbraw/zinc/31/27/27/352312727.db2.gz ZMWGXQMAUHUMSV-OLZOCXBDSA-N 2 0 267.373 -0.223 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000238082004 352313668 /nfs/dbraw/zinc/31/36/68/352313668.db2.gz ZODATWCROXGTQV-OAHLLOKOSA-N 2 0 288.395 -0.278 20 0 CBADRP C[C@]1(O)CC[NH+](CC2(C[N@H+]3CC[C@](C)(O)C3)COC2)C1 ZINC000248434951 352351636 /nfs/dbraw/zinc/35/16/36/352351636.db2.gz RJIAMSJNFSXZBK-KBPBESRZSA-N 2 0 284.400 -0.084 20 0 CBADRP CN1CCO[C@@H](C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000246105281 352328096 /nfs/dbraw/zinc/32/80/96/352328096.db2.gz HTNXTOMCUIUVHQ-VXGBXAGGSA-N 2 0 255.362 -0.130 20 0 CBADRP C[C@H](O)CN1CCN(C(=O)[C@H]2CSCN2)C[C@H]1C ZINC000246501546 352334056 /nfs/dbraw/zinc/33/40/56/352334056.db2.gz PWHCTPYAFKEBOY-OUAUKWLOSA-N 2 0 273.402 -0.438 20 0 CBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000261889876 352399657 /nfs/dbraw/zinc/39/96/57/352399657.db2.gz VFIPRVQYAMSXDE-AGIUHOORSA-N 2 0 296.415 -0.408 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000261885101 352399914 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COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000261801155 352397930 /nfs/dbraw/zinc/39/79/30/352397930.db2.gz OCUIXNRJHGKCRJ-TUAOUCFPSA-N 2 0 271.361 -0.670 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000133655276 187699499 /nfs/dbraw/zinc/69/94/99/187699499.db2.gz JJBRTDRSZWWBGG-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP O=C(NC[C@@H]1CCCN(C(=O)C2C[NH2+]C2)C1)[C@H]1CCC[NH2+]1 ZINC000262230169 352411421 /nfs/dbraw/zinc/41/14/21/352411421.db2.gz MAWHFOJFSRAJMU-WCQYABFASA-N 2 0 294.399 -0.687 20 0 CBADRP O=C(C1C[NH2+]C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000262284394 352414464 /nfs/dbraw/zinc/41/44/64/352414464.db2.gz WGZPRQYCOMEORF-UHFFFAOYSA-N 2 0 253.346 -0.471 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H]2COCC[NH2+]2)C[C@@H]1C ZINC000262338441 352416883 /nfs/dbraw/zinc/41/68/83/352416883.db2.gz HPXVUYOPFMJLFH-AVGNSLFASA-N 2 0 285.388 -0.722 20 0 CBADRP C[NH2+]CCC(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000262365647 352418007 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CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[NH3+])CC1=O ZINC000262513895 352424557 /nfs/dbraw/zinc/42/45/57/352424557.db2.gz PYUHRPCJSCFOCJ-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@@H](CNC(=O)C[NH2+]CC1CC1)C[NH+]1CCN(C)CC1 ZINC000262629338 352428381 /nfs/dbraw/zinc/42/83/81/352428381.db2.gz DDDHGKPYOVPIMQ-ZDUSSCGKSA-N 2 0 282.432 -0.014 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000262673749 352430049 /nfs/dbraw/zinc/43/00/49/352430049.db2.gz STIBYKFUQYAUFD-NSHDSACASA-N 2 0 259.350 -0.941 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)[C@H]1C ZINC000262764211 352433585 /nfs/dbraw/zinc/43/35/85/352433585.db2.gz IXHQXKSETNZYDY-AVGNSLFASA-N 2 0 296.415 -0.395 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000262766266 352433966 /nfs/dbraw/zinc/43/39/66/352433966.db2.gz ATYZMCBEXLZTHS-RWMBFGLXSA-N 2 0 285.388 -0.471 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000262893908 352435873 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[NH3+]C[C@@H]1CCCCN1CCC(=O)N1CC[NH2+]CC1 ZINC000262097022 352406848 /nfs/dbraw/zinc/40/68/48/352406848.db2.gz LTESEGWOJCADSS-LBPRGKRZSA-N 2 0 254.378 -0.379 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)COC2C[NH2+]C2)C[C@H]1c1ccccc1 ZINC000262151900 352408245 /nfs/dbraw/zinc/40/82/45/352408245.db2.gz GBTJNMGVGSFMKU-UONOGXRCSA-N 2 0 275.352 -0.072 20 0 CBADRP CC[N@H+](CCO)CC(=O)NC1CC[NH+](CC)CC1 ZINC000303032198 352744327 /nfs/dbraw/zinc/74/43/27/352744327.db2.gz AOTUJRHXRNYOKS-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP CNC(=O)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310828230 352762305 /nfs/dbraw/zinc/76/23/05/352762305.db2.gz INSXTGVODNIIEW-AOOOYVTPSA-N 2 0 254.334 -0.627 20 0 CBADRP COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000310875488 352762826 /nfs/dbraw/zinc/76/28/26/352762826.db2.gz MRQJOSVDOBMDFE-OLZOCXBDSA-N 2 0 260.378 -0.228 20 0 CBADRP CNC(=O)C[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000323046680 352782519 /nfs/dbraw/zinc/78/25/19/352782519.db2.gz PPOQZTASRXRWPB-NWDGAFQWSA-N 2 0 257.378 -0.053 20 0 CBADRP CNC(=O)C[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000323046683 352782577 /nfs/dbraw/zinc/78/25/77/352782577.db2.gz PPOQZTASRXRWPB-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@H]1CCCC[C@H]1O ZINC000328532908 352783831 /nfs/dbraw/zinc/78/38/31/352783831.db2.gz YPNMXLDKPBQFCD-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1CCCC[C@H]1O ZINC000328532910 352783888 /nfs/dbraw/zinc/78/38/88/352783888.db2.gz YPNMXLDKPBQFCD-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP CN1CCO[C@@H]2CN(C(=O)CCn3ccnc3)C[C@@H]21 ZINC000329974563 352801424 /nfs/dbraw/zinc/80/14/24/352801424.db2.gz DDUDNDGPJWLICI-NWDGAFQWSA-N 2 0 264.329 -0.185 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)[NH2+]1 ZINC000331378226 352910354 /nfs/dbraw/zinc/91/03/54/352910354.db2.gz HUPIOECCTTXLPZ-UTUOFQBUSA-N 2 0 294.399 -0.452 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000331411181 352912335 /nfs/dbraw/zinc/91/23/35/352912335.db2.gz RMJBHYPPFAPQHO-GVXVVHGQSA-N 2 0 294.399 -0.594 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000331483443 352918350 /nfs/dbraw/zinc/91/83/50/352918350.db2.gz IUAUINICXCYPJN-AWEZNQCLSA-N 2 0 295.431 -0.229 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000331479414 352918435 /nfs/dbraw/zinc/91/84/35/352918435.db2.gz LMSLBZWJNBYZKZ-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000331589498 352926108 /nfs/dbraw/zinc/92/61/08/352926108.db2.gz GMPYTXSWRJYKFJ-NWDGAFQWSA-N 2 0 280.372 -0.839 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000332638948 352971597 /nfs/dbraw/zinc/97/15/97/352971597.db2.gz KYLZXTYENVFJSF-QWHCGFSZSA-N 2 0 294.399 -0.497 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC[NH2+]1 ZINC000332650724 352972729 /nfs/dbraw/zinc/97/27/29/352972729.db2.gz UKLIQOVLAVTZOR-UPJWGTAASA-N 2 0 294.399 -0.498 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332184616 352939093 /nfs/dbraw/zinc/93/90/93/352939093.db2.gz AMATUQYZNLVPST-OLZOCXBDSA-N 2 0 294.399 -0.497 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000332192150 352939345 /nfs/dbraw/zinc/93/93/45/352939345.db2.gz BAZGVWYZZPZZPD-VXGBXAGGSA-N 2 0 280.372 -0.887 20 0 CBADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000332229512 352940563 /nfs/dbraw/zinc/94/05/63/352940563.db2.gz LSTXPURSNWXAEZ-XQQFMLRXSA-N 2 0 294.399 -0.369 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)C[C@@H]1[NH3+] ZINC000332263763 352941424 /nfs/dbraw/zinc/94/14/24/352941424.db2.gz UCSLYROOHNFELN-VOAKCMCISA-N 2 0 294.399 -0.513 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC[NH2+]1 ZINC000332306604 352943154 /nfs/dbraw/zinc/94/31/54/352943154.db2.gz WKPIXBINSAVPQP-JHJVBQTASA-N 2 0 294.399 -0.641 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000332320815 352944180 /nfs/dbraw/zinc/94/41/80/352944180.db2.gz OSTIGPLNWMGJAN-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C)C2)CC1 ZINC000332379108 352947182 /nfs/dbraw/zinc/94/71/82/352947182.db2.gz XLMKFHYKAIEWBS-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000332549180 352964642 /nfs/dbraw/zinc/96/46/42/352964642.db2.gz IKBBWAFGCNSWNR-FRRDWIJNSA-N 2 0 294.399 -0.321 20 0 CBADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332577640 352968126 /nfs/dbraw/zinc/96/81/26/352968126.db2.gz ADLJBUVWWGIKGP-STQMWFEESA-N 2 0 294.399 -0.367 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](C[NH3+])C2)C[N@@H+]1C1CC1 ZINC000333294655 352999967 /nfs/dbraw/zinc/99/99/67/352999967.db2.gz IDSAWHMVLODELS-NTZNESFSSA-N 2 0 282.388 -0.019 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)[C@H](C)C[NH2+]1 ZINC000333481152 353001592 /nfs/dbraw/zinc/00/15/92/353001592.db2.gz CCRSSUPSXVWPIA-UTUOFQBUSA-N 2 0 270.377 -0.243 20 0 CBADRP C[NH+](C)C1(CNC(=O)NC[C@H]2C[NH2+]CCO2)CCC1 ZINC000333641488 353006581 /nfs/dbraw/zinc/00/65/81/353006581.db2.gz UKFXBZJXVYCCGF-LLVKDONJSA-N 2 0 270.377 -0.242 20 0 CBADRP CC[N@H+](CCNC(=O)N1CCOC2(C[NH2+]C2)C1)C1CC1 ZINC000333820092 353011801 /nfs/dbraw/zinc/01/18/01/353011801.db2.gz QZHNTMNAYYRHNY-UHFFFAOYSA-N 2 0 282.388 -0.146 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H]1C ZINC000333860101 353012525 /nfs/dbraw/zinc/01/25/25/353012525.db2.gz RVVHYBKWCYAFQR-KVSVUVNWSA-N 2 0 282.388 -0.699 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333874069 353012561 /nfs/dbraw/zinc/01/25/61/353012561.db2.gz VBLMJFWNXUTTBK-MCIONIFRSA-N 2 0 295.431 -0.327 20 0 CBADRP CN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1C[NH2+]C[C@@H]1O ZINC000333904443 353013424 /nfs/dbraw/zinc/01/34/24/353013424.db2.gz CGWSKOVXLTUKDX-VOAKCMCISA-N 2 0 282.388 -0.413 20 0 CBADRP CC[C@H](CO)[NH+]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000336841977 353062962 /nfs/dbraw/zinc/06/29/62/353062962.db2.gz SYIPRLGMPPIRHZ-HIFRSBDPSA-N 2 0 285.432 -0.170 20 0 CBADRP CN1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000337128546 353076242 /nfs/dbraw/zinc/07/62/42/353076242.db2.gz IGKBJOJOINPFNO-UHFFFAOYSA-N 2 0 297.447 -0.031 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NCC[N@H+](C)C(C)C ZINC000336804626 353055714 /nfs/dbraw/zinc/05/57/14/353055714.db2.gz GYTBEAICIOZXJE-GFCCVEGCSA-N 2 0 272.393 -0.458 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000337438284 353083310 /nfs/dbraw/zinc/08/33/10/353083310.db2.gz XIASWAMYTSUQFN-WCQYABFASA-N 2 0 274.409 -0.062 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000340268829 353161680 /nfs/dbraw/zinc/16/16/80/353161680.db2.gz UJESEVGRALSWGU-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H]1C[C@@H](O)C[NH+]1CCOCC[N@H+]1C[C@@H](O)C[C@H]1C ZINC000340922084 353193216 /nfs/dbraw/zinc/19/32/16/353193216.db2.gz XTDUTYLWJXQJEV-SYQHCUMBSA-N 2 0 272.389 -0.087 20 0 CBADRP COC(=O)CCNC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341172815 353204523 /nfs/dbraw/zinc/20/45/23/353204523.db2.gz DHCBYNHITIDZPU-UHFFFAOYSA-N 2 0 285.388 -0.061 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C[NH+](C)C ZINC000341230066 353206183 /nfs/dbraw/zinc/20/61/83/353206183.db2.gz OZMQEJVBKGZJRN-QWHCGFSZSA-N 2 0 298.431 -0.290 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+](C)C)C1 ZINC000342661370 353226008 /nfs/dbraw/zinc/22/60/08/353226008.db2.gz IWFMTFVREFQUJZ-LLVKDONJSA-N 2 0 258.366 -0.432 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2CC[NH2+]C2)CC1=O ZINC000342699727 353228113 /nfs/dbraw/zinc/22/81/13/353228113.db2.gz AOJBLRXJZWYOAD-NWDGAFQWSA-N 2 0 282.388 -0.878 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CCC(=O)OC)C1 ZINC000342695929 353228357 /nfs/dbraw/zinc/22/83/57/353228357.db2.gz GXMHMZMXYLDZHK-GHMZBOCLSA-N 2 0 287.360 -0.896 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000343433905 353272563 /nfs/dbraw/zinc/27/25/63/353272563.db2.gz WFEFLROEXDKBAZ-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000343433901 353272914 /nfs/dbraw/zinc/27/29/14/353272914.db2.gz WFEFLROEXDKBAZ-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)[NH+](C)C1CC1 ZINC000343245343 353261633 /nfs/dbraw/zinc/26/16/33/353261633.db2.gz CCEPONGOZFKMCZ-TZMCWYRMSA-N 2 0 280.416 -0.025 20 0 CBADRP [NH3+]CC1CCC(CNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000343641634 353283087 /nfs/dbraw/zinc/28/30/87/353283087.db2.gz OBDZGVNVJZKVMW-MCIGGMRASA-N 2 0 255.362 -0.144 20 0 CBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344031066 353303216 /nfs/dbraw/zinc/30/32/16/353303216.db2.gz OZNLNWWRJLXQNJ-NSHDSACASA-N 2 0 287.408 -0.615 20 0 CBADRP C[C@@H]1[C@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)CCC[N@@H+]1C ZINC000345332515 353324323 /nfs/dbraw/zinc/32/43/23/353324323.db2.gz YKNGZMKKTKHACS-MCIONIFRSA-N 2 0 280.416 -0.025 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)NCCNc1cc[nH+]cc1 ZINC000418561616 295862289 /nfs/dbraw/zinc/86/22/89/295862289.db2.gz QRCNUCCZYZNDIS-JTQLQIEISA-N 2 0 251.334 -0.048 20 0 CBADRP C[NH+](C)CCCCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000346129178 353362651 /nfs/dbraw/zinc/36/26/51/353362651.db2.gz MGGDQOPRIJDYED-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000346157625 353364507 /nfs/dbraw/zinc/36/45/07/353364507.db2.gz CBZNCLAEZHLLSQ-RYUDHWBXSA-N 2 0 284.404 -0.537 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000346227796 353366737 /nfs/dbraw/zinc/36/67/37/353366737.db2.gz QSMCKZONDSNIDT-RYUDHWBXSA-N 2 0 254.378 -0.557 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000348991358 353443290 /nfs/dbraw/zinc/44/32/90/353443290.db2.gz GMHJGQVSLFNHKP-UHFFFAOYSA-N 2 0 255.362 -0.083 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000348998131 353444193 /nfs/dbraw/zinc/44/41/93/353444193.db2.gz KJBJWEQIORNWHB-LLVKDONJSA-N 2 0 253.346 -0.329 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)CCOC2C[NH2+]C2)C1 ZINC000349009550 353445006 /nfs/dbraw/zinc/44/50/06/353445006.db2.gz XGRWPSCRHLLNLZ-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP O=C(CCOC1C[NH2+]C1)NCC[NH+]1CCSCC1 ZINC000349027975 353445952 /nfs/dbraw/zinc/44/59/52/353445952.db2.gz NHVSINQZKLTZCL-UHFFFAOYSA-N 2 0 273.402 -0.470 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000349935835 353468324 /nfs/dbraw/zinc/46/83/24/353468324.db2.gz KLYRXRLUCHQPSM-MNOVXSKESA-N 2 0 270.377 -0.750 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000351553045 353475906 /nfs/dbraw/zinc/47/59/06/353475906.db2.gz CVLNMGYXGAAUHU-AGIUHOORSA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000353090568 353520700 /nfs/dbraw/zinc/52/07/00/353520700.db2.gz SQFQPNZRNSPUML-RYUDHWBXSA-N 2 0 271.409 -0.519 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C[NH3+])OC ZINC000353436311 353532071 /nfs/dbraw/zinc/53/20/71/353532071.db2.gz XVIFLNBIVPDLSU-MNOVXSKESA-N 2 0 259.350 -0.813 20 0 CBADRP COC[C@@H]([NH3+])C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000353801200 353533513 /nfs/dbraw/zinc/53/35/13/353533513.db2.gz ZZUIHBFDLKWLHD-GRYCIOLGSA-N 2 0 273.377 -0.424 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000355129686 353586469 /nfs/dbraw/zinc/58/64/69/353586469.db2.gz IUZQVINBPTVUTE-LLVKDONJSA-N 2 0 282.388 -0.641 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)C2C[NH2+]C2)C1 ZINC000357085561 353601409 /nfs/dbraw/zinc/60/14/09/353601409.db2.gz KXQQHUBAQXEZIK-CQSZACIVSA-N 2 0 298.431 -0.637 20 0 CBADRP COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCOCC[NH3+])C1 ZINC000357080752 353601587 /nfs/dbraw/zinc/60/15/87/353601587.db2.gz NDARLDRIBRVMOX-QWHCGFSZSA-N 2 0 287.404 -0.175 20 0 CBADRP CS(=O)(=O)NC[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000357067535 353601884 /nfs/dbraw/zinc/60/18/84/353601884.db2.gz FHEMPTMTPNQETM-LLVKDONJSA-N 2 0 279.406 -0.777 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000358097968 353625992 /nfs/dbraw/zinc/62/59/92/353625992.db2.gz OCVSPERBLQYKOO-KBPBESRZSA-N 2 0 280.416 -0.214 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2CCO[C@@H](C[NH3+])C2)CC1 ZINC000358114264 353627207 /nfs/dbraw/zinc/62/72/07/353627207.db2.gz DHGUKOWKBRZFIK-ZDUSSCGKSA-N 2 0 284.404 -0.754 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358679874 353649992 /nfs/dbraw/zinc/64/99/92/353649992.db2.gz AZDZMGHPRMVKBR-WCQYABFASA-N 2 0 272.393 -0.308 20 0 CBADRP CN(C(=O)[C@@H]1C[C@@H](O)C[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000357900142 353612712 /nfs/dbraw/zinc/61/27/12/353612712.db2.gz BALMCPJXMAADGJ-UTUOFQBUSA-N 2 0 253.346 -0.596 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CCSC1 ZINC000357927635 353614941 /nfs/dbraw/zinc/61/49/41/353614941.db2.gz LPBAGFVWOHHGKF-NHCYSSNCSA-N 2 0 273.402 -0.737 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000361710737 353663442 /nfs/dbraw/zinc/66/34/42/353663442.db2.gz LYIKCFLSELIPDW-KGLIPLIRSA-N 2 0 280.416 -0.166 20 0 CBADRP C[N@H+]([C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCNC1=O ZINC000363478489 353669983 /nfs/dbraw/zinc/66/99/83/353669983.db2.gz LUKNLUZCCZPGJB-ZIAGYGMSSA-N 2 0 280.416 -0.025 20 0 CBADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1C[NH2+]CCO1 ZINC000366408439 353676469 /nfs/dbraw/zinc/67/64/69/353676469.db2.gz OKDIKQFGHOTNAS-LBPRGKRZSA-N 2 0 291.355 -0.582 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000366932203 353679159 /nfs/dbraw/zinc/67/91/59/353679159.db2.gz JRUIZSBYVSCMMF-XQHKEYJVSA-N 2 0 267.373 -0.443 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000367386384 353681556 /nfs/dbraw/zinc/68/15/56/353681556.db2.gz SBUCFNKREUILOL-MGPQQGTHSA-N 2 0 280.416 -0.119 20 0 CBADRP CCC[C@@H]([NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000367994116 353684172 /nfs/dbraw/zinc/68/41/72/353684172.db2.gz PQTHXUJHJAQJCI-VXGBXAGGSA-N 2 0 254.378 -0.380 20 0 CBADRP COCC[NH2+]CCNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000371313784 353699780 /nfs/dbraw/zinc/69/97/80/353699780.db2.gz NRFCQSKLGJWUIO-UHFFFAOYSA-N 2 0 277.368 -0.165 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000372098925 353710732 /nfs/dbraw/zinc/71/07/32/353710732.db2.gz OZDZGICOHNNNSV-YNEHKIRRSA-N 2 0 269.389 -0.101 20 0 CBADRP O=C(NCC[N@@H+]1CCCOCC1)[C@H]1C[NH+]2CCN1CCC2 ZINC000373688039 353734928 /nfs/dbraw/zinc/73/49/28/353734928.db2.gz LGVVKCMKWYGILF-CQSZACIVSA-N 2 0 296.415 -0.785 20 0 CBADRP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000372399670 353716621 /nfs/dbraw/zinc/71/66/21/353716621.db2.gz RLOZMQLLTKUHGZ-KBPBESRZSA-N 2 0 298.431 -0.364 20 0 CBADRP COCC[C@]1(C(=O)N(C)[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000373028952 353725945 /nfs/dbraw/zinc/72/59/45/353725945.db2.gz LLVXCORIWGISCF-DGCLKSJQSA-N 2 0 255.362 -0.177 20 0 CBADRP COCC1(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC[NH2+]CC1 ZINC000375058820 353752790 /nfs/dbraw/zinc/75/27/90/353752790.db2.gz LGBJZGRSJOJTEU-WDEREUQCSA-N 2 0 273.352 -0.181 20 0 CBADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000375385240 353759548 /nfs/dbraw/zinc/75/95/48/353759548.db2.gz XFKCCWFKWBZXBT-ZZVYKPCYSA-N 2 0 291.399 -0.020 20 0 CBADRP CC[C@H]1CN(CCS(=O)(=O)N(C)C)CC[C@H]1[NH3+] ZINC000383926416 353785895 /nfs/dbraw/zinc/78/58/95/353785895.db2.gz DTUSKSKZUUMSAQ-WDEREUQCSA-N 2 0 263.407 -0.063 20 0 CBADRP CCOCCN1CCN(C(=O)C[C@H]2COCC[NH2+]2)C[C@@H]1C ZINC000375912348 353768786 /nfs/dbraw/zinc/76/87/86/353768786.db2.gz OULONCZEJHNLDT-KBPBESRZSA-N 2 0 299.415 -0.066 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000377529425 353778731 /nfs/dbraw/zinc/77/87/31/353778731.db2.gz CKSAOEYWCHKOIV-KKOKHZNYSA-N 2 0 253.346 -0.426 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000378207876 353780232 /nfs/dbraw/zinc/78/02/32/353780232.db2.gz SQEURUSZXQEPMA-KGLIPLIRSA-N 2 0 280.416 -0.023 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C3C[NH2+]C3)CC2)C1 ZINC000378638238 353780912 /nfs/dbraw/zinc/78/09/12/353780912.db2.gz APNRJCZJASBFBV-ZDUSSCGKSA-N 2 0 266.389 -0.556 20 0 CBADRP CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000400173452 353799792 /nfs/dbraw/zinc/79/97/92/353799792.db2.gz LQYNQHFCZVVEEX-QWRGUYRKSA-N 2 0 261.391 -0.248 20 0 CBADRP CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000400212033 353800364 /nfs/dbraw/zinc/80/03/64/353800364.db2.gz VQPDBXNRAKVMNM-VWYCJHECSA-N 2 0 261.391 -0.120 20 0 CBADRP CCNC(=O)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389451706 353791488 /nfs/dbraw/zinc/79/14/88/353791488.db2.gz WLXMQUWFWXJTGF-PHIMTYICSA-N 2 0 268.361 -0.237 20 0 CBADRP CSCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394375497 353793777 /nfs/dbraw/zinc/79/37/77/353793777.db2.gz OAWBAWRAKPKJHH-RYUDHWBXSA-N 2 0 286.445 -0.427 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394375498 353793913 /nfs/dbraw/zinc/79/39/13/353793913.db2.gz OAWBAWRAKPKJHH-VXGBXAGGSA-N 2 0 286.445 -0.427 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000410993823 353939708 /nfs/dbraw/zinc/93/97/08/353939708.db2.gz ZEHJRRRHHTUVLX-CHWSQXEVSA-N 2 0 296.415 -0.441 20 0 CBADRP [NH3+]CCN(CCO)C(=O)NCCC[NH+]1CCCCC1 ZINC000416871891 353973510 /nfs/dbraw/zinc/97/35/10/353973510.db2.gz KZRHCEWVQUEYQU-UHFFFAOYSA-N 2 0 272.393 -0.175 20 0 CBADRP C[C@H](CN1CCOCC1)NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000417021558 353974517 /nfs/dbraw/zinc/97/45/17/353974517.db2.gz IOKTUJJYZUTEKC-VXGBXAGGSA-N 2 0 270.377 -0.290 20 0 CBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000417240913 353976567 /nfs/dbraw/zinc/97/65/67/353976567.db2.gz QMMRDSKQURRNFK-AWEZNQCLSA-N 2 0 297.447 -0.077 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000417440847 353977324 /nfs/dbraw/zinc/97/73/24/353977324.db2.gz PDXPMNQJKULKRM-VXGBXAGGSA-N 2 0 272.393 -0.057 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000417446641 353977955 /nfs/dbraw/zinc/97/79/55/353977955.db2.gz MNTAHTGULPGTFZ-OLZOCXBDSA-N 2 0 285.436 -0.081 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000417443333 353978053 /nfs/dbraw/zinc/97/80/53/353978053.db2.gz XWYSYIQKVWDJEI-LLVKDONJSA-N 2 0 258.366 -0.384 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000417701552 353981158 /nfs/dbraw/zinc/98/11/58/353981158.db2.gz IFIQILXKQCYRDX-OBJOEFQTSA-N 2 0 296.415 -0.117 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000417777232 353983132 /nfs/dbraw/zinc/98/31/32/353983132.db2.gz CEZVZZNXUSZPNC-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417837067 353983777 /nfs/dbraw/zinc/98/37/77/353983777.db2.gz PMHZNIATJFDRSW-AAEUAGOBSA-N 2 0 284.404 -0.280 20 0 CBADRP CC1(C)CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000417830221 353983808 /nfs/dbraw/zinc/98/38/08/353983808.db2.gz IYPBVQODCCEURA-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H]1CN(C(=O)NCCOCC[NH+](C)C)[C@@H](C)C[NH2+]1 ZINC000418066683 353987420 /nfs/dbraw/zinc/98/74/20/353987420.db2.gz LSVJHWZVRZLENR-RYUDHWBXSA-N 2 0 272.393 -0.044 20 0 CBADRP C[NH+](C)CCOCCNC(=O)NCC1([NH3+])CCC1 ZINC000418061161 353987445 /nfs/dbraw/zinc/98/74/45/353987445.db2.gz DFCSLDQFKZZJOE-UHFFFAOYSA-N 2 0 258.366 -0.255 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418068040 353987782 /nfs/dbraw/zinc/98/77/82/353987782.db2.gz NOMKRMNQGYNOAV-NSHDSACASA-N 2 0 258.366 -0.384 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCOCC[NH+](C)C ZINC000418067259 353987804 /nfs/dbraw/zinc/98/78/04/353987804.db2.gz MLONFPVPYKQCMM-NEPJUHHUSA-N 2 0 272.393 -0.138 20 0 CBADRP CC[NH2+]CCNC(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000418207768 353988659 /nfs/dbraw/zinc/98/86/59/353988659.db2.gz IHWKIDFSHNCDJY-GFCCVEGCSA-N 2 0 270.377 -0.242 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)NCCN1CC[NH2+]CC1 ZINC000418289564 353990965 /nfs/dbraw/zinc/99/09/65/353990965.db2.gz CWCHZFDMQKAWBT-UHFFFAOYSA-N 2 0 285.436 -0.125 20 0 CBADRP [NH3+]CCNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418292560 353991041 /nfs/dbraw/zinc/99/10/41/353991041.db2.gz CRKHSZVXGSJSAW-HNNXBMFYSA-N 2 0 292.383 -0.119 20 0 CBADRP [NH3+]CCNC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418292898 353991050 /nfs/dbraw/zinc/99/10/50/353991050.db2.gz DVFRXZPMJPHVKI-ZIAGYGMSSA-N 2 0 292.383 -0.120 20 0 CBADRP CCC[NH2+]CCNC(=O)NCCCN1CC[NH2+]CC1 ZINC000418288643 353991288 /nfs/dbraw/zinc/99/12/88/353991288.db2.gz MYHHMMIMUYTMDE-UHFFFAOYSA-N 2 0 271.409 -0.420 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418350040 353993774 /nfs/dbraw/zinc/99/37/74/353993774.db2.gz QOPPQRUOHUQONI-ZDUSSCGKSA-N 2 0 286.420 -0.011 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NC[C@@H](C)C[NH2+]C ZINC000418351908 353993799 /nfs/dbraw/zinc/99/37/99/353993799.db2.gz BPCGQYQIEJCJBO-NSHDSACASA-N 2 0 260.382 -0.545 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000418368101 353994846 /nfs/dbraw/zinc/99/48/46/353994846.db2.gz RFJYYVGDXLJIDO-AVGNSLFASA-N 2 0 286.420 -0.062 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000418365193 353995215 /nfs/dbraw/zinc/99/52/15/353995215.db2.gz DVHSLPBZLRCMCL-QWHCGFSZSA-N 2 0 286.420 -0.012 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000418382606 353996002 /nfs/dbraw/zinc/99/60/02/353996002.db2.gz MLIYCJKAXLLPFV-OLZOCXBDSA-N 2 0 284.404 -0.116 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000418376217 353996057 /nfs/dbraw/zinc/99/60/57/353996057.db2.gz FWLGXGVZLRTWFT-RYUDHWBXSA-N 2 0 299.419 -0.391 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000418382610 353996067 /nfs/dbraw/zinc/99/60/67/353996067.db2.gz MLIYCJKAXLLPFV-STQMWFEESA-N 2 0 284.404 -0.116 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000418378005 353996245 /nfs/dbraw/zinc/99/62/45/353996245.db2.gz ZXZAAIVLIADBMZ-JHJVBQTASA-N 2 0 286.420 -0.062 20 0 CBADRP [NH3+]C[C@@H](NC(=O)NCCNc1cc[nH+]cc1)C1CC1 ZINC000418400328 353996480 /nfs/dbraw/zinc/99/64/80/353996480.db2.gz MJFIGLBJDMWSCX-GFCCVEGCSA-N 2 0 263.345 -0.048 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000418407486 353996565 /nfs/dbraw/zinc/99/65/65/353996565.db2.gz FQAIXFDOARVYTE-OBJOEFQTSA-N 2 0 284.404 -0.130 20 0 CBADRP [NH3+]CCCN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000414688648 353963339 /nfs/dbraw/zinc/96/33/39/353963339.db2.gz DMXFTYKYVQPTRC-UHFFFAOYSA-N 2 0 254.378 -0.425 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419226538 354039678 /nfs/dbraw/zinc/03/96/78/354039678.db2.gz JEMFQOPVMOWROA-YPMHNXCESA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH2+]CC2)CCC1 ZINC000419243839 354040886 /nfs/dbraw/zinc/04/08/86/354040886.db2.gz SXJNIHOYQKXHMM-UHFFFAOYSA-N 2 0 268.361 -0.981 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418491451 353998869 /nfs/dbraw/zinc/99/88/69/353998869.db2.gz OGTLITDSDRBSAZ-JGVFFNPUSA-N 2 0 250.293 -0.122 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)NCCNc1cc[nH+]cc1 ZINC000418490100 353999499 /nfs/dbraw/zinc/99/94/99/353999499.db2.gz MTBMBNDYGRREJX-SNVBAGLBSA-N 2 0 251.334 -0.191 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000418507586 353999983 /nfs/dbraw/zinc/99/99/83/353999983.db2.gz LCHKAVLAHWADBE-QWRGUYRKSA-N 2 0 258.366 -0.386 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418503554 354000455 /nfs/dbraw/zinc/00/04/55/354000455.db2.gz YETKYOKNHKYUDL-LBPRGKRZSA-N 2 0 272.393 -0.057 20 0 CBADRP COCC[NH2+]CCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000418512672 354001120 /nfs/dbraw/zinc/00/11/20/354001120.db2.gz UGYHIBUXGKVSCV-RWMBFGLXSA-N 2 0 284.404 -0.009 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000418614689 354004369 /nfs/dbraw/zinc/00/43/69/354004369.db2.gz GIMGLLWQKOLZOQ-TZMCWYRMSA-N 2 0 284.404 -0.130 20 0 CBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418669862 354004973 /nfs/dbraw/zinc/00/49/73/354004973.db2.gz KHAIPUYZKOHFNC-WDNDVIMCSA-N 2 0 297.447 -0.271 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NCCC1=CC[NH2+]CC1 ZINC000418651117 354005190 /nfs/dbraw/zinc/00/51/90/354005190.db2.gz XZBREXHRHDIVKD-UHFFFAOYSA-N 2 0 284.404 -0.090 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000418734392 354005722 /nfs/dbraw/zinc/00/57/22/354005722.db2.gz RYVUTCLEKYWUCU-VXGBXAGGSA-N 2 0 272.393 -0.130 20 0 CBADRP C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)[C@H](C)[NH3+] ZINC000418699293 354006394 /nfs/dbraw/zinc/00/63/94/354006394.db2.gz DSLSYDPWJXXSND-NOOOWODRSA-N 2 0 272.393 -0.181 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418762172 354007355 /nfs/dbraw/zinc/00/73/55/354007355.db2.gz IQAHYMNGVHHJBI-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418759567 354007362 /nfs/dbraw/zinc/00/73/62/354007362.db2.gz GLUGRRBEUHZSQW-HBNTYKKESA-N 2 0 256.350 -0.633 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000418836904 354011485 /nfs/dbraw/zinc/01/14/85/354011485.db2.gz RXXYYQWQQHAFPI-ZJUUUORDSA-N 2 0 298.412 -0.070 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)C[C@H]1[NH3+] ZINC000418835917 354011907 /nfs/dbraw/zinc/01/19/07/354011907.db2.gz QGGCIJKEFBNDIO-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000418879511 354014596 /nfs/dbraw/zinc/01/45/96/354014596.db2.gz SURDGVIIHCHQHQ-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000418944354 354016775 /nfs/dbraw/zinc/01/67/75/354016775.db2.gz NPDXTRMXZRWHPO-GFCCVEGCSA-N 2 0 292.383 -0.302 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418955464 354017251 /nfs/dbraw/zinc/01/72/51/354017251.db2.gz YFHYKWBURCOJAQ-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H](C)[NH2+]1 ZINC000418958556 354017486 /nfs/dbraw/zinc/01/74/86/354017486.db2.gz GOFXENTYPJTYEU-FVCCEPFGSA-N 2 0 296.415 -0.206 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC[N@@H+]1C ZINC000418972169 354018480 /nfs/dbraw/zinc/01/84/80/354018480.db2.gz YHAUDGGSHAXLCI-NEPJUHHUSA-N 2 0 296.415 -0.204 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000418987876 354020492 /nfs/dbraw/zinc/02/04/92/354020492.db2.gz AEWMGMCKUHWUJX-LBPRGKRZSA-N 2 0 282.388 -0.462 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000418997317 354020875 /nfs/dbraw/zinc/02/08/75/354020875.db2.gz LERFNWSCWUTVRY-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CC(C)([NH3+])CNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000418995477 354020922 /nfs/dbraw/zinc/02/09/22/354020922.db2.gz JAKGZGZSANRFGT-UHFFFAOYSA-N 2 0 284.404 -0.168 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC[NH2+]1 ZINC000418992354 354021385 /nfs/dbraw/zinc/02/13/85/354021385.db2.gz FUIDBYNRZDCJNJ-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP O=C(NCCC[NH+]1CCCCC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418991977 354021398 /nfs/dbraw/zinc/02/13/98/354021398.db2.gz FJTMWQDMJJQFRW-CYBMUJFWSA-N 2 0 296.415 -0.153 20 0 CBADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000419007189 354022982 /nfs/dbraw/zinc/02/29/82/354022982.db2.gz UBEUYPXASWDIHU-CYBMUJFWSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419018921 354023673 /nfs/dbraw/zinc/02/36/73/354023673.db2.gz CVUSIUXPAPZSSG-XQHKEYJVSA-N 2 0 298.431 -0.068 20 0 CBADRP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000419015782 354024039 /nfs/dbraw/zinc/02/40/39/354024039.db2.gz FAJFRFVVHGYCJG-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCC[NH3+] ZINC000419030612 354025086 /nfs/dbraw/zinc/02/50/86/354025086.db2.gz UBYHNKDNTYHFID-FRRDWIJNSA-N 2 0 298.431 -0.066 20 0 CBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419081215 354027057 /nfs/dbraw/zinc/02/70/57/354027057.db2.gz RHTSMVBRUXSKOQ-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NCCC[NH2+]C1CC1)C1CC1 ZINC000419110710 354028987 /nfs/dbraw/zinc/02/89/87/354028987.db2.gz SSQHEBCBONYGAL-UHFFFAOYSA-N 2 0 282.388 -0.545 20 0 CBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NCC[NH3+])C(C)(C)C ZINC000419131206 354029300 /nfs/dbraw/zinc/02/93/00/354029300.db2.gz GJVLDTIHNRNYHN-SNVBAGLBSA-N 2 0 272.393 -0.456 20 0 CBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NCCC[NH3+])C(C)(C)C ZINC000419131273 354029710 /nfs/dbraw/zinc/02/97/10/354029710.db2.gz GOERQJVWXNXLQP-LLVKDONJSA-N 2 0 286.420 -0.066 20 0 CBADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NCCC[NH3+] ZINC000419120467 354029727 /nfs/dbraw/zinc/02/97/27/354029727.db2.gz LIFCMRHAYHSFLY-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419131017 354029870 /nfs/dbraw/zinc/02/98/70/354029870.db2.gz BUWPPJHWPYTOSO-QWRGUYRKSA-N 2 0 270.377 -0.737 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000419138170 354030378 /nfs/dbraw/zinc/03/03/78/354030378.db2.gz QKGIIIWZDOZYGN-XQQFMLRXSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000419133595 354030772 /nfs/dbraw/zinc/03/07/72/354030772.db2.gz IWTHWXXNLBKCPG-LLVKDONJSA-N 2 0 286.420 -0.195 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000419133157 354030822 /nfs/dbraw/zinc/03/08/22/354030822.db2.gz GJOSEDMMFIYZOE-YNEHKIRRSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000419131987 354030842 /nfs/dbraw/zinc/03/08/42/354030842.db2.gz FFVKRNKNOLTKGQ-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419148226 354032287 /nfs/dbraw/zinc/03/22/87/354032287.db2.gz JZOXPGXEGSWGRL-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000419150237 354032673 /nfs/dbraw/zinc/03/26/73/354032673.db2.gz MCMAHAVNVQWSEX-SDDRHHMPSA-N 2 0 284.404 -0.348 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419154290 354033188 /nfs/dbraw/zinc/03/31/88/354033188.db2.gz RDNPWYRCCBQWJN-TUAOUCFPSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419153385 354033208 /nfs/dbraw/zinc/03/32/08/354033208.db2.gz PSJVXHBGEJFVPT-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000419159536 354034576 /nfs/dbraw/zinc/03/45/76/354034576.db2.gz ZMGXTVSELLONTN-LLVKDONJSA-N 2 0 296.415 -0.027 20 0 CBADRP C[NH2+][C@@H](C)CNC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000419217699 354036917 /nfs/dbraw/zinc/03/69/17/354036917.db2.gz DVQOBHQAKUBDLD-LBPRGKRZSA-N 2 0 282.388 -0.521 20 0 CBADRP [NH3+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419222686 354038081 /nfs/dbraw/zinc/03/80/81/354038081.db2.gz BVXBVQMBIOJEKU-LBPRGKRZSA-N 2 0 282.388 -0.558 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000419226424 354039102 /nfs/dbraw/zinc/03/91/02/354039102.db2.gz QRBHBYCROVQIPR-ZDUSSCGKSA-N 2 0 294.399 -0.425 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000419226423 354039268 /nfs/dbraw/zinc/03/92/68/354039268.db2.gz QRBHBYCROVQIPR-CYBMUJFWSA-N 2 0 294.399 -0.425 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000419229247 354039279 /nfs/dbraw/zinc/03/92/79/354039279.db2.gz WQQRMTPPFWUALJ-UHFFFAOYSA-N 2 0 296.415 -0.130 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000419227141 354039306 /nfs/dbraw/zinc/03/93/06/354039306.db2.gz SEKSPEZTODTOJO-LBPRGKRZSA-N 2 0 282.388 -0.392 20 0 CBADRP C[C@H]1[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])CCC[N@@H+]1C ZINC000419557301 354061539 /nfs/dbraw/zinc/06/15/39/354061539.db2.gz MFNPQYNFXZLJDI-VHSXEESVSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)C(C)(C)C[NH+](C)C ZINC000419550623 354061746 /nfs/dbraw/zinc/06/17/46/354061746.db2.gz VCBXMRJFKZINKR-WDEREUQCSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)C[C@@H]1[NH3+] ZINC000419562757 354061846 /nfs/dbraw/zinc/06/18/46/354061846.db2.gz VOXPFMWFVHZRDN-WISYIIOYSA-N 2 0 282.388 -0.609 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)NCCC[NH2+]C2CC2)CCC[N@@H+]1C ZINC000419564098 354062234 /nfs/dbraw/zinc/06/22/34/354062234.db2.gz WZEUMCBEOKUEOW-YPMHNXCESA-N 2 0 296.415 -0.156 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000419581934 354063263 /nfs/dbraw/zinc/06/32/63/354063263.db2.gz IUYNZAMZFCNHAP-JTQLQIEISA-N 2 0 270.377 -0.689 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419577882 354063837 /nfs/dbraw/zinc/06/38/37/354063837.db2.gz DFUWSJGYTGNZLP-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000419581003 354063852 /nfs/dbraw/zinc/06/38/52/354063852.db2.gz ICPIGZDVFBICCW-GHMZBOCLSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)[N@H+](C)C1CC1 ZINC000419582640 354064253 /nfs/dbraw/zinc/06/42/53/354064253.db2.gz JJJFJDLBASNGIL-LLVKDONJSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419585817 354064262 /nfs/dbraw/zinc/06/42/62/354064262.db2.gz MKVDUSPFWOVKKS-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419595433 354064823 /nfs/dbraw/zinc/06/48/23/354064823.db2.gz WUIVINNZZOENTC-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)[N@H+](C)C1CC1 ZINC000419587104 354064937 /nfs/dbraw/zinc/06/49/37/354064937.db2.gz NGEKBAIBLVYKIH-JTQLQIEISA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[N@H+](C)C1CC1 ZINC000419588510 354065255 /nfs/dbraw/zinc/06/52/55/354065255.db2.gz OJJJGSYZXKTNMD-NTZNESFSSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@H+](C)C1CC1 ZINC000419594766 354065551 /nfs/dbraw/zinc/06/55/51/354065551.db2.gz VGYBAVNELRRGGM-UTUOFQBUSA-N 2 0 294.399 -0.737 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000419878669 354088043 /nfs/dbraw/zinc/08/80/43/354088043.db2.gz SJFWBAVKYWAECJ-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C1CCCC1 ZINC000419692101 354069743 /nfs/dbraw/zinc/06/97/43/354069743.db2.gz FVDWXWXNKOLLBA-CYBMUJFWSA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000419694425 354069830 /nfs/dbraw/zinc/06/98/30/354069830.db2.gz JEOCFSWWIFUSRR-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419697072 354069928 /nfs/dbraw/zinc/06/99/28/354069928.db2.gz QBSNSOPWRXKVJL-LLVKDONJSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419698022 354070299 /nfs/dbraw/zinc/07/02/99/354070299.db2.gz RRLPHQXQEUBVCM-MNOVXSKESA-N 2 0 282.388 -0.417 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000419693131 354070350 /nfs/dbraw/zinc/07/03/50/354070350.db2.gz IJZNKBWALUZXLM-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419694309 354070568 /nfs/dbraw/zinc/07/05/68/354070568.db2.gz KLHRFGIWTOFGJC-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000419716130 354071445 /nfs/dbraw/zinc/07/14/45/354071445.db2.gz QIGMGOVZJHUTSY-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000419700734 354071479 /nfs/dbraw/zinc/07/14/79/354071479.db2.gz XXZXAFSNSSWQJG-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000419873626 354088142 /nfs/dbraw/zinc/08/81/42/354088142.db2.gz MWLYZQJQZGDTFX-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](CCNC(=O)C(=O)NCCC[NH3+])[NH+]1CCCCC1 ZINC000419719450 354072125 /nfs/dbraw/zinc/07/21/25/354072125.db2.gz XQGDPSGFXUNYKL-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000419729673 354072743 /nfs/dbraw/zinc/07/27/43/354072743.db2.gz IIPUMQPGCFBFKT-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000419739257 354073680 /nfs/dbraw/zinc/07/36/80/354073680.db2.gz VYXQBCQGFYKAMI-STQMWFEESA-N 2 0 298.431 -0.112 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419736721 354073972 /nfs/dbraw/zinc/07/39/72/354073972.db2.gz RTVGYWDJUJKIES-CHWSQXEVSA-N 2 0 296.415 -0.488 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419741287 354074876 /nfs/dbraw/zinc/07/48/76/354074876.db2.gz YYNCYPVGVMHWJP-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000419740891 354075073 /nfs/dbraw/zinc/07/50/73/354075073.db2.gz YOJGDECMYQFKOX-YPMHNXCESA-N 2 0 296.415 -0.027 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419759797 354075425 /nfs/dbraw/zinc/07/54/25/354075425.db2.gz HRUZRHBBGSPTMA-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NCC[NH3+])Cc1ccc(F)cc1 ZINC000419766307 354075477 /nfs/dbraw/zinc/07/54/77/354075477.db2.gz YPBVIDJIBWMCHE-UHFFFAOYSA-N 2 0 296.346 -0.551 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419762160 354075533 /nfs/dbraw/zinc/07/55/33/354075533.db2.gz LOFIHBICKHIGFF-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000419767859 354076283 /nfs/dbraw/zinc/07/62/83/354076283.db2.gz TWETZFFRETXODK-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419770363 354076361 /nfs/dbraw/zinc/07/63/61/354076361.db2.gz DPMYSAZVGKIUNI-JHJVBQTASA-N 2 0 298.431 -0.053 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419770900 354076363 /nfs/dbraw/zinc/07/63/63/354076363.db2.gz DYDZOFSOFCEPCZ-SNVBAGLBSA-N 2 0 272.393 -0.314 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419768227 354076550 /nfs/dbraw/zinc/07/65/50/354076550.db2.gz UBUCVAWAZOBXTI-LLVKDONJSA-N 2 0 272.393 -0.312 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NCC[NH2+]C ZINC000419772087 354076722 /nfs/dbraw/zinc/07/67/22/354076722.db2.gz YNQCEPKHUPRPDW-UHFFFAOYSA-N 2 0 258.366 -0.830 20 0 CBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419780243 354077009 /nfs/dbraw/zinc/07/70/09/354077009.db2.gz QNOYFHMEDJRNOE-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419783816 354077206 /nfs/dbraw/zinc/07/72/06/354077206.db2.gz VQMLKNJBVDTBEX-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419780226 354077610 /nfs/dbraw/zinc/07/76/10/354077610.db2.gz MNTNJKIAFDALTD-WDEREUQCSA-N 2 0 272.393 -0.362 20 0 CBADRP CC(C)[NH+](CCNC(=O)C(=O)NCCC[NH3+])C(C)C ZINC000419796689 354078677 /nfs/dbraw/zinc/07/86/77/354078677.db2.gz PJYCUHAIICSZQJ-UHFFFAOYSA-N 2 0 272.393 -0.314 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000419810285 354079516 /nfs/dbraw/zinc/07/95/16/354079516.db2.gz LJJQPXOSZVQLJE-YPMHNXCESA-N 2 0 292.383 -0.131 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NCCC[NH3+])CCCCC1 ZINC000419806161 354079537 /nfs/dbraw/zinc/07/95/37/354079537.db2.gz DVWWVEXJLKPTGC-UHFFFAOYSA-N 2 0 284.404 -0.168 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)C[NH+]1CCCC1 ZINC000419805565 354079614 /nfs/dbraw/zinc/07/96/14/354079614.db2.gz CCGFXRBRSQKNIV-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000419816422 354080289 /nfs/dbraw/zinc/08/02/89/354080289.db2.gz IBQKIDHIRMWWPI-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000419820445 354080445 /nfs/dbraw/zinc/08/04/45/354080445.db2.gz KIEKKBMTRARFTG-QWHCGFSZSA-N 2 0 298.431 -0.194 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000419826410 354081341 /nfs/dbraw/zinc/08/13/41/354081341.db2.gz NYNSDSPHGPPVMN-QWHCGFSZSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)C[NH+]1CCCC1 ZINC000419832553 354081908 /nfs/dbraw/zinc/08/19/08/354081908.db2.gz RPRZEPNKFPKJJA-CYBMUJFWSA-N 2 0 296.415 -0.344 20 0 CBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419837547 354082001 /nfs/dbraw/zinc/08/20/01/354082001.db2.gz DCVIHHMPNOTBCD-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC[NH2+]1 ZINC000419836264 354082529 /nfs/dbraw/zinc/08/25/29/354082529.db2.gz VMSPQGRKRBVGKP-XQQFMLRXSA-N 2 0 294.399 -0.450 20 0 CBADRP CC1CCC([NH+]2CCN(C(=O)C(=O)NCC[NH3+])CC2)CC1 ZINC000419839616 354082898 /nfs/dbraw/zinc/08/28/98/354082898.db2.gz QMWDYLIBTICWGI-UHFFFAOYSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCC[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000419839248 354083328 /nfs/dbraw/zinc/08/33/28/354083328.db2.gz QBUYNVNNTKWJDT-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419842446 354083655 /nfs/dbraw/zinc/08/36/55/354083655.db2.gz LPLUGGPFDDHVDY-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000419856602 354085611 /nfs/dbraw/zinc/08/56/11/354085611.db2.gz SNFYARAYGXDNOT-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NCC[NH2+]C ZINC000419862325 354086381 /nfs/dbraw/zinc/08/63/81/354086381.db2.gz BDQRZUYCXPASHO-UHFFFAOYSA-N 2 0 272.393 -0.488 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419860408 354086491 /nfs/dbraw/zinc/08/64/91/354086491.db2.gz KRPYOZMWDMVQRC-NEPJUHHUSA-N 2 0 282.388 -0.560 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419865016 354086501 /nfs/dbraw/zinc/08/65/01/354086501.db2.gz PBMCAAUHSKCSGW-AAEUAGOBSA-N 2 0 296.415 -0.360 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419865021 354086536 /nfs/dbraw/zinc/08/65/36/354086536.db2.gz PBMCAAUHSKCSGW-YPMHNXCESA-N 2 0 296.415 -0.360 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419289140 354044137 /nfs/dbraw/zinc/04/41/37/354044137.db2.gz SUZRSBHMCDRHKR-SNVBAGLBSA-N 2 0 258.366 -0.702 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419289139 354044730 /nfs/dbraw/zinc/04/47/30/354044730.db2.gz SUZRSBHMCDRHKR-JTQLQIEISA-N 2 0 258.366 -0.702 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000419322404 354045660 /nfs/dbraw/zinc/04/56/60/354045660.db2.gz SIBHVNDBHQGFJC-MNOVXSKESA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000419319118 354045802 /nfs/dbraw/zinc/04/58/02/354045802.db2.gz OKGBFKJCZLYAQB-UTUOFQBUSA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419312837 354046121 /nfs/dbraw/zinc/04/61/21/354046121.db2.gz CXYDVNBEOXTAGB-MDZLAQPJSA-N 2 0 294.399 -0.465 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C[N@@H+]1C1CC1 ZINC000419322078 354046142 /nfs/dbraw/zinc/04/61/42/354046142.db2.gz RULDIKWFSRJBCF-CDMKHQONSA-N 2 0 294.399 -0.419 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419333986 354046838 /nfs/dbraw/zinc/04/68/38/354046838.db2.gz MUSXMJZPCCXYOK-JQWIXIFHSA-N 2 0 280.372 -0.983 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000419328892 354047052 /nfs/dbraw/zinc/04/70/52/354047052.db2.gz FYJIQZSHCQGXRJ-WCQYABFASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419333152 354047244 /nfs/dbraw/zinc/04/72/44/354047244.db2.gz LKWCSMAVMQFUDA-MDZLAQPJSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419333495 354047288 /nfs/dbraw/zinc/04/72/88/354047288.db2.gz MGDOFNUKSBUJBS-GVXVVHGQSA-N 2 0 294.399 -0.594 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000419405146 354050946 /nfs/dbraw/zinc/05/09/46/354050946.db2.gz HHUMVPQKRCSBEV-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000419402263 354051097 /nfs/dbraw/zinc/05/10/97/354051097.db2.gz CASJIKNIVQLONQ-UHFFFAOYSA-N 2 0 282.388 -0.734 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000419402213 354051124 /nfs/dbraw/zinc/05/11/24/354051124.db2.gz BWFRXXBLBWJTHI-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000419401973 354051362 /nfs/dbraw/zinc/05/13/62/354051362.db2.gz BQLJVLMUEYRKPP-GFCCVEGCSA-N 2 0 282.388 -0.734 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000419402630 354051671 /nfs/dbraw/zinc/05/16/71/354051671.db2.gz COUUKCLBNNUMLE-NEPJUHHUSA-N 2 0 282.388 -0.687 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419409621 354052800 /nfs/dbraw/zinc/05/28/00/354052800.db2.gz NFRYIYQMUVTYNY-CHWSQXEVSA-N 2 0 298.431 -0.194 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000419419058 354053580 /nfs/dbraw/zinc/05/35/80/354053580.db2.gz YUKIQALSNYPOBH-CYBMUJFWSA-N 2 0 298.431 -0.066 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000419428033 354053680 /nfs/dbraw/zinc/05/36/80/354053680.db2.gz SLZCMVGFNFWEOP-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419417175 354053730 /nfs/dbraw/zinc/05/37/30/354053730.db2.gz WZGYEXWAIDQEFB-CHWSQXEVSA-N 2 0 296.415 -0.297 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419416537 354053784 /nfs/dbraw/zinc/05/37/84/354053784.db2.gz WHJSYLZLBIQXQJ-CYBMUJFWSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000419417047 354053879 /nfs/dbraw/zinc/05/38/79/354053879.db2.gz HQPFIXQLSLDNBR-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000419432163 354054319 /nfs/dbraw/zinc/05/43/19/354054319.db2.gz XVSRSKATOVQIOP-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419428882 354054444 /nfs/dbraw/zinc/05/44/44/354054444.db2.gz UCCMAUIFCFXCQF-DGCLKSJQSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419501823 354056203 /nfs/dbraw/zinc/05/62/03/354056203.db2.gz CDJSCNYDSPKMDG-AGIUHOORSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419523634 354057289 /nfs/dbraw/zinc/05/72/89/354057289.db2.gz OURGVAIPOPFGDS-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419509248 354057604 /nfs/dbraw/zinc/05/76/04/354057604.db2.gz DUZUEKHERFONKV-VXGBXAGGSA-N 2 0 286.420 -0.068 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000419509265 354057689 /nfs/dbraw/zinc/05/76/89/354057689.db2.gz DZRXJKKDVZGJMP-VXGBXAGGSA-N 2 0 286.420 -0.053 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419521550 354057791 /nfs/dbraw/zinc/05/77/91/354057791.db2.gz KDYTWPXTXIAZSM-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CCC[NH2+]CC1)C1CC1 ZINC000419524541 354058370 /nfs/dbraw/zinc/05/83/70/354058370.db2.gz QBJJYQPECYPALN-UHFFFAOYSA-N 2 0 282.388 -0.591 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419529438 354058388 /nfs/dbraw/zinc/05/83/88/354058388.db2.gz XTBIXCFVZGZPEH-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[N@H+](CC)C1CC1 ZINC000419526914 354058748 /nfs/dbraw/zinc/05/87/48/354058748.db2.gz UEJQZACZCHAHGL-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)C1CC1 ZINC000419530287 354058815 /nfs/dbraw/zinc/05/88/15/354058815.db2.gz YUKSZGWZPOYHBW-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000419537167 354059353 /nfs/dbraw/zinc/05/93/53/354059353.db2.gz CGMZFBLGEKOAAS-NXEZZACHSA-N 2 0 272.393 -0.458 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000419541784 354059469 /nfs/dbraw/zinc/05/94/69/354059469.db2.gz DTXRCNSIFVJZQA-IJLUTSLNSA-N 2 0 284.404 -0.315 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419530422 354059701 /nfs/dbraw/zinc/05/97/01/354059701.db2.gz ZHUNOYIBVWGHDM-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@H]1[C@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CCC[N@@H+]1C ZINC000419543758 354060429 /nfs/dbraw/zinc/06/04/29/354060429.db2.gz GRLVFJTZQOAHMZ-YNEHKIRRSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000419545371 354060459 /nfs/dbraw/zinc/06/04/59/354060459.db2.gz MPDGYRHBRFOTBL-NSHDSACASA-N 2 0 286.420 -0.195 20 0 CBADRP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000419547752 354060551 /nfs/dbraw/zinc/06/05/51/354060551.db2.gz QGHBADKEXZRCFC-VXGBXAGGSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000419560488 354060981 /nfs/dbraw/zinc/06/09/81/354060981.db2.gz RAPAMRCJJAYMMO-LPWJVIDDSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)[C@H](C)C[NH2+]1 ZINC000419561176 354061420 /nfs/dbraw/zinc/06/14/20/354061420.db2.gz SDIJXRQLGMXKDI-FVCCEPFGSA-N 2 0 296.415 -0.206 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000419881364 354089155 /nfs/dbraw/zinc/08/91/55/354089155.db2.gz WDZPAEURSVEUNH-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000419890331 354089508 /nfs/dbraw/zinc/08/95/08/354089508.db2.gz MBOYUUCMBPCEPD-LBPRGKRZSA-N 2 0 284.404 -0.489 20 0 CBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419900895 354091816 /nfs/dbraw/zinc/09/18/16/354091816.db2.gz RZQVBGGCDNWWKT-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)C(C)C ZINC000419905123 354092550 /nfs/dbraw/zinc/09/25/50/354092550.db2.gz YMWCHCNRMUNUDJ-LBPRGKRZSA-N 2 0 284.404 -0.299 20 0 CBADRP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000419936942 354094596 /nfs/dbraw/zinc/09/45/96/354094596.db2.gz MGWYUWKNUHQPNL-OLZOCXBDSA-N 2 0 294.399 -0.449 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H](C)C[NH3+])C(C)C ZINC000419937678 354094725 /nfs/dbraw/zinc/09/47/25/354094725.db2.gz GMAQPQKZKFETAB-LLVKDONJSA-N 2 0 272.393 -0.456 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000419948667 354095531 /nfs/dbraw/zinc/09/55/31/354095531.db2.gz KLWYTKWGASYYNW-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000419981319 354098870 /nfs/dbraw/zinc/09/88/70/354098870.db2.gz RZYNBWMXIPIIMP-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000419978145 354099270 /nfs/dbraw/zinc/09/92/70/354099270.db2.gz NSWUPPYWHMKUGO-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000419974539 354099456 /nfs/dbraw/zinc/09/94/56/354099456.db2.gz JPWBYUMABXRXNM-RWMBFGLXSA-N 2 0 298.431 -0.197 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000419981321 354099562 /nfs/dbraw/zinc/09/95/62/354099562.db2.gz RZYNBWMXIPIIMP-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)CC[NH3+])C(C)C ZINC000419989746 354099940 /nfs/dbraw/zinc/09/99/40/354099940.db2.gz JHPABIQHIOZKPE-NSHDSACASA-N 2 0 272.393 -0.314 20 0 CBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000420000113 354101193 /nfs/dbraw/zinc/10/11/93/354101193.db2.gz PKKCBGUWHBDMTH-OLZOCXBDSA-N 2 0 298.431 -0.066 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000420004480 354101295 /nfs/dbraw/zinc/10/12/95/354101295.db2.gz WGYWUSCEPOPXKH-GFCCVEGCSA-N 2 0 286.420 -0.114 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000420010451 354101968 /nfs/dbraw/zinc/10/19/68/354101968.db2.gz XLNMCZGMIVPBJJ-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000420022210 354102840 /nfs/dbraw/zinc/10/28/40/354102840.db2.gz VLYBIOUXBFVQOL-JTQLQIEISA-N 2 0 258.366 -0.894 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000420034778 354104021 /nfs/dbraw/zinc/10/40/21/354104021.db2.gz JPJYHUGPNAQKCR-STQMWFEESA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000420053351 354105437 /nfs/dbraw/zinc/10/54/37/354105437.db2.gz XNOIKAVTYIGODP-FRRDWIJNSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420064439 354106231 /nfs/dbraw/zinc/10/62/31/354106231.db2.gz ORVADDYOYPCVJR-LBPRGKRZSA-N 2 0 282.388 -0.606 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420072283 354107100 /nfs/dbraw/zinc/10/71/00/354107100.db2.gz YXRSJELHEVOICC-YPMHNXCESA-N 2 0 296.415 -0.360 20 0 CBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420089128 354108120 /nfs/dbraw/zinc/10/81/20/354108120.db2.gz JCMBKPLDAWRIIO-UHFFFAOYSA-N 2 0 296.415 -0.072 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000420135566 354111293 /nfs/dbraw/zinc/11/12/93/354111293.db2.gz DXYPFKUVCYZCAO-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000420144332 354112429 /nfs/dbraw/zinc/11/24/29/354112429.db2.gz MWHFSDJWOWZNTH-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP COC(=O)CC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420302600 354122014 /nfs/dbraw/zinc/12/20/14/354122014.db2.gz WMXROVPVBNMTAJ-GFCCVEGCSA-N 2 0 283.372 -0.307 20 0 CBADRP COC(=O)CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000420313174 354122776 /nfs/dbraw/zinc/12/27/76/354122776.db2.gz PGSYUYGDGYHTHL-NSHDSACASA-N 2 0 271.361 -0.131 20 0 CBADRP CCS(=O)(=O)NCCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420313559 354122820 /nfs/dbraw/zinc/12/28/20/354122820.db2.gz UMKRLFHTOQTVSV-MNOVXSKESA-N 2 0 263.407 -0.015 20 0 CBADRP COc1ccc([C@@H](C[NH3+])CN(CC[NH3+])CCO)cc1 ZINC000420307842 354123367 /nfs/dbraw/zinc/12/33/67/354123367.db2.gz MVRINZSYKTWHHE-ZDUSSCGKSA-N 2 0 267.373 -0.010 20 0 CBADRP O=C(CC[N@@H+]1CCOC[C@H]1C1CC1)N1CC[NH2+]CC1 ZINC000420356183 354125137 /nfs/dbraw/zinc/12/51/37/354125137.db2.gz FZKWAHMRRSTGJR-ZDUSSCGKSA-N 2 0 267.373 -0.081 20 0 CBADRP CCC[C@@]1(C)C(=O)NCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000420361631 354125159 /nfs/dbraw/zinc/12/51/59/354125159.db2.gz NNIZCYIDRXIXOX-HNNXBMFYSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCCC(=O)N1CC[NH2+]CC1 ZINC000420366286 354125725 /nfs/dbraw/zinc/12/57/25/354125725.db2.gz LZZNXXVSDZIPSS-DYEKYZERSA-N 2 0 268.405 -0.216 20 0 CBADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423201970 354165543 /nfs/dbraw/zinc/16/55/43/354165543.db2.gz JVHUQFIEZADJLS-GXTWGEPZSA-N 2 0 252.406 -0.036 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423217975 354165782 /nfs/dbraw/zinc/16/57/82/354165782.db2.gz TUXUAYLORYBUCU-UHFFFAOYSA-N 2 0 282.388 -0.639 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000423208390 354165910 /nfs/dbraw/zinc/16/59/10/354165910.db2.gz HUULRUNRWPFCED-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)CC[NH2+]1 ZINC000423212757 354166151 /nfs/dbraw/zinc/16/61/51/354166151.db2.gz MHOSZSZLZFGVNG-GFCCVEGCSA-N 2 0 282.388 -0.639 20 0 CBADRP CN(C(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000423273627 354166882 /nfs/dbraw/zinc/16/68/82/354166882.db2.gz LFXLXJWDGVMOFV-WCQYABFASA-N 2 0 294.399 -0.369 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)C[C@@H](C)[NH2+]1 ZINC000423247222 354167243 /nfs/dbraw/zinc/16/72/43/354167243.db2.gz QHXIJRDDUFIWAP-JHJVBQTASA-N 2 0 296.415 -0.252 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)C[C@H]1[NH3+] ZINC000423312972 354168271 /nfs/dbraw/zinc/16/82/71/354168271.db2.gz VWTACNVJKPEGCR-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000423382602 354173920 /nfs/dbraw/zinc/17/39/20/354173920.db2.gz DKPDLFXJHSCIAW-ZJUUUORDSA-N 2 0 259.350 -0.277 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000423422957 354175515 /nfs/dbraw/zinc/17/55/15/354175515.db2.gz LMDHKTMAUBYGSJ-AWEZNQCLSA-N 2 0 287.404 -0.303 20 0 CBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423424430 354175607 /nfs/dbraw/zinc/17/56/07/354175607.db2.gz FOWOUQFFHFYROW-UHFFFAOYSA-N 2 0 296.415 -0.247 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423422575 354175837 /nfs/dbraw/zinc/17/58/37/354175837.db2.gz CXDVKPBHSNGIDM-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423429101 354175888 /nfs/dbraw/zinc/17/58/88/354175888.db2.gz KYKQRLQKQBQYLJ-VXGBXAGGSA-N 2 0 284.404 -0.408 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000423422961 354175947 /nfs/dbraw/zinc/17/59/47/354175947.db2.gz LMDHKTMAUBYGSJ-CQSZACIVSA-N 2 0 287.404 -0.303 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000423432959 354176696 /nfs/dbraw/zinc/17/66/96/354176696.db2.gz BWLCMORTELBRCA-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000422263359 354144804 /nfs/dbraw/zinc/14/48/04/354144804.db2.gz SGANMVDTWAVZTN-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422268777 354145167 /nfs/dbraw/zinc/14/51/67/354145167.db2.gz KTQAJJRYCYBTQE-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000422535760 354148317 /nfs/dbraw/zinc/14/83/17/354148317.db2.gz DCPACFOCCAKWNE-KXNHARMFSA-N 2 0 255.362 -0.193 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000422614461 354150525 /nfs/dbraw/zinc/15/05/25/354150525.db2.gz YREJKAHBMUDXRZ-WYUUTHIRSA-N 2 0 252.362 -0.060 20 0 CBADRP CN1CCN(C(=O)CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422714153 354151272 /nfs/dbraw/zinc/15/12/72/354151272.db2.gz KSJCYBFJVSZBKM-OLZOCXBDSA-N 2 0 268.405 -0.133 20 0 CBADRP CCC[C@H](C(=O)NCCN1CC[NH2+]CC1)[NH+](C)C ZINC000422739202 354152156 /nfs/dbraw/zinc/15/21/56/354152156.db2.gz KSSASQFLIIXZLN-GFCCVEGCSA-N 2 0 256.394 -0.262 20 0 CBADRP CCC[C@@H](C(=O)NCCN1CC[NH2+]CC1)[NH+](C)C ZINC000422739204 354152435 /nfs/dbraw/zinc/15/24/35/354152435.db2.gz KSSASQFLIIXZLN-LBPRGKRZSA-N 2 0 256.394 -0.262 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422967724 354158367 /nfs/dbraw/zinc/15/83/67/354158367.db2.gz CHNRPGCRAIEZDS-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000423483651 354177550 /nfs/dbraw/zinc/17/75/50/354177550.db2.gz SRKHBBCMJLFLRE-NWDGAFQWSA-N 2 0 255.362 -0.051 20 0 CBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CC[NH+](C)C ZINC000423065563 354161796 /nfs/dbraw/zinc/16/17/96/354161796.db2.gz UUMCNIKNYQWFQB-LBPRGKRZSA-N 2 0 286.420 -0.162 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N(C)CCC[NH2+]C)CC1 ZINC000423068469 354161849 /nfs/dbraw/zinc/16/18/49/354161849.db2.gz JXFIVJXTJAKZPE-UHFFFAOYSA-N 2 0 284.404 -0.392 20 0 CBADRP CC(C)NC(=O)CN(C)CC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000423558216 354179996 /nfs/dbraw/zinc/17/99/96/354179996.db2.gz LBAKXSMYEZRJNW-NEPJUHHUSA-N 2 0 284.404 -0.443 20 0 CBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423566899 354180574 /nfs/dbraw/zinc/18/05/74/354180574.db2.gz CLSUGWZWLZZARR-LBPRGKRZSA-N 2 0 296.415 -0.121 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000423589856 354181822 /nfs/dbraw/zinc/18/18/22/354181822.db2.gz IFQGEMAHCSHWQZ-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000423607474 354183487 /nfs/dbraw/zinc/18/34/87/354183487.db2.gz MTSQMNKUGZHFGF-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000423606906 354183766 /nfs/dbraw/zinc/18/37/66/354183766.db2.gz LVIKPLGVPSGIAA-VXGBXAGGSA-N 2 0 282.388 -0.641 20 0 CBADRP CCN1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423623834 354185820 /nfs/dbraw/zinc/18/58/20/354185820.db2.gz CICBSZIABABGSN-NEPJUHHUSA-N 2 0 282.388 -0.641 20 0 CBADRP COC[C@@]1(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CCC[NH2+]1 ZINC000423630972 354186969 /nfs/dbraw/zinc/18/69/69/354186969.db2.gz FXRDPANTZKEEAY-HIFRSBDPSA-N 2 0 299.415 -0.020 20 0 CBADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000423638369 354187794 /nfs/dbraw/zinc/18/77/94/354187794.db2.gz DPNMJFBCIWYNPY-GRYCIOLGSA-N 2 0 282.388 -0.655 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC[NH2+]1 ZINC000423673662 354191025 /nfs/dbraw/zinc/19/10/25/354191025.db2.gz GERLXOCMQBMGNP-WFASDCNBSA-N 2 0 294.399 -0.639 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC[NH2+]1 ZINC000423683506 354191719 /nfs/dbraw/zinc/19/17/19/354191719.db2.gz QBSYOVSHQYVFFA-STQMWFEESA-N 2 0 292.383 -0.721 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423714755 354192827 /nfs/dbraw/zinc/19/28/27/354192827.db2.gz SODACNIQJLMNDK-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C)CC1 ZINC000423701791 354193052 /nfs/dbraw/zinc/19/30/52/354193052.db2.gz AIEBRLWEGWEDAI-LBPRGKRZSA-N 2 0 282.388 -0.639 20 0 CBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000423742131 354196266 /nfs/dbraw/zinc/19/62/66/354196266.db2.gz INUNFUJAIBLITB-UONOGXRCSA-N 2 0 299.415 -0.066 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000423750580 354197664 /nfs/dbraw/zinc/19/76/64/354197664.db2.gz UGPHHPGWSVTRAG-OLZOCXBDSA-N 2 0 287.404 -0.081 20 0 CBADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)COC1C[NH2+]C1 ZINC000423768300 354199341 /nfs/dbraw/zinc/19/93/41/354199341.db2.gz DCVCAXWDOAQQOW-GFCCVEGCSA-N 2 0 255.362 -0.227 20 0 CBADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000423779448 354199902 /nfs/dbraw/zinc/19/99/02/354199902.db2.gz UZPVDVJJEBHLFV-RYUDHWBXSA-N 2 0 255.362 -0.227 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423800818 354200990 /nfs/dbraw/zinc/20/09/90/354200990.db2.gz UCWRCCCRSXIVSM-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000423998366 354207156 /nfs/dbraw/zinc/20/71/56/354207156.db2.gz ZKRGZNMZMABUOD-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]CCCNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424059473 354207888 /nfs/dbraw/zinc/20/78/88/354207888.db2.gz NFQGNNPXYYBONG-VIFPVBQESA-N 2 0 251.334 -0.045 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000424059642 354208369 /nfs/dbraw/zinc/20/83/69/354208369.db2.gz OLOOHZQGWRYQRP-SDDRHHMPSA-N 2 0 280.372 -0.996 20 0 CBADRP CC[NH2+]CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424079974 354208835 /nfs/dbraw/zinc/20/88/35/354208835.db2.gz RWRATUJPXLHQDC-SNVBAGLBSA-N 2 0 266.349 -0.458 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424082109 354208871 /nfs/dbraw/zinc/20/88/71/354208871.db2.gz VTVMANATALBISB-QWRGUYRKSA-N 2 0 280.376 -0.212 20 0 CBADRP CC[NH2+]CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424079973 354209109 /nfs/dbraw/zinc/20/91/09/354209109.db2.gz RWRATUJPXLHQDC-JTQLQIEISA-N 2 0 266.349 -0.458 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000424144874 354211916 /nfs/dbraw/zinc/21/19/16/354211916.db2.gz MJDWFPSHEXGBNQ-QWHCGFSZSA-N 2 0 267.373 -0.096 20 0 CBADRP CC[N@H+](C)CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424157071 354212465 /nfs/dbraw/zinc/21/24/65/354212465.db2.gz PBJQVSQDERVOMM-NSHDSACASA-N 2 0 280.376 -0.116 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424163718 354213433 /nfs/dbraw/zinc/21/34/33/354213433.db2.gz VRNAMOADSRYMIO-WOPDTQHZSA-N 2 0 292.387 -0.070 20 0 CBADRP O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1C[NH2+]CCO1 ZINC000424189800 354216501 /nfs/dbraw/zinc/21/65/01/354216501.db2.gz NXILZIRHSZYKBM-CYBMUJFWSA-N 2 0 267.373 -0.035 20 0 CBADRP COCC[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC000423511954 354178577 /nfs/dbraw/zinc/17/85/77/354178577.db2.gz KQQBNNNPEYKGNI-UHFFFAOYSA-N 2 0 255.362 -0.033 20 0 CBADRP C[C@@H](CNC(=O)C[C@H]1C[NH2+]CCO1)C[NH+]1CCN(C)CC1 ZINC000431016187 354251832 /nfs/dbraw/zinc/25/18/32/354251832.db2.gz YVUMLOZCEFMTFX-KBPBESRZSA-N 2 0 298.431 -0.635 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1C[C@H](O)C[NH2+]1 ZINC000432537903 354252291 /nfs/dbraw/zinc/25/22/91/354252291.db2.gz IKENJHYZPILXDX-NNYUYHANSA-N 2 0 253.346 -0.548 20 0 CBADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)C(=O)N(C)C ZINC000443055341 354259114 /nfs/dbraw/zinc/25/91/14/354259114.db2.gz BGLBQFYRKWNVQD-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2CC[NH2+]2)C[C@@H](C)O1 ZINC000444169591 354262481 /nfs/dbraw/zinc/26/24/81/354262481.db2.gz QDYKRBULHSMKIY-IJLUTSLNSA-N 2 0 255.362 -0.036 20 0 CBADRP O=C(CC[N@@H+]1CCC[C@H](n2ccnn2)C1)N1CC[NH2+]CC1 ZINC000424289925 354222825 /nfs/dbraw/zinc/22/28/25/354222825.db2.gz CRWKYYUFEMYIPN-ZDUSSCGKSA-N 2 0 292.387 -0.263 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424459781 354224752 /nfs/dbraw/zinc/22/47/52/354224752.db2.gz HDUSYEUYFQCHBQ-YNEHKIRRSA-N 2 0 283.420 -0.199 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000447438386 354298742 /nfs/dbraw/zinc/29/87/42/354298742.db2.gz FGPOFJMRZONWAG-CMPLNLGQSA-N 2 0 275.418 -0.096 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000447523413 354300541 /nfs/dbraw/zinc/30/05/41/354300541.db2.gz UEXDSQDPBUYPOT-STQMWFEESA-N 2 0 268.405 -0.119 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)N1CC[NH+](C)CC1 ZINC000444270365 354267375 /nfs/dbraw/zinc/26/73/75/354267375.db2.gz OZUMXCAYWCAFFB-IPYPFGDCSA-N 2 0 280.416 -0.262 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000444271826 354267514 /nfs/dbraw/zinc/26/75/14/354267514.db2.gz ZZTWACJCMKIYHL-UKRRQHHQSA-N 2 0 280.416 -0.260 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000444265400 354267848 /nfs/dbraw/zinc/26/78/48/354267848.db2.gz GWQYRPKTQHGXOK-VXGBXAGGSA-N 2 0 254.378 -0.652 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449526069 354319645 /nfs/dbraw/zinc/31/96/45/354319645.db2.gz YHTMDCLLFYHVNM-JGGQBBKZSA-N 2 0 289.379 -0.386 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449325693 354319812 /nfs/dbraw/zinc/31/98/12/354319812.db2.gz OXDBLCQBUPCSJR-VXGBXAGGSA-N 2 0 257.378 -0.074 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H](C)[NH3+] ZINC000449601671 354321022 /nfs/dbraw/zinc/32/10/22/354321022.db2.gz NNSPVJQFDGZYIK-HBNTYKKESA-N 2 0 270.377 -0.752 20 0 CBADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000449698937 354321678 /nfs/dbraw/zinc/32/16/78/354321678.db2.gz OXCIPSNCACQNJA-XQQFMLRXSA-N 2 0 268.405 -0.360 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449726358 354321703 /nfs/dbraw/zinc/32/17/03/354321703.db2.gz KLKXONUSYXEBQT-YNEHKIRRSA-N 2 0 267.373 -0.035 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C1([NH3+])CCCCC1 ZINC000489547406 354434002 /nfs/dbraw/zinc/43/40/02/354434002.db2.gz YLEHIWNHGCDITP-UHFFFAOYSA-N 2 0 282.388 -0.462 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N1CCC[N@H+](C)CC1 ZINC000471640893 354401752 /nfs/dbraw/zinc/40/17/52/354401752.db2.gz CELWEEZEXVUHKJ-UHFFFAOYSA-N 2 0 272.393 -0.088 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCOCC[NH+](C)C ZINC000487237216 354412921 /nfs/dbraw/zinc/41/29/21/354412921.db2.gz XWPBJUCBFSYDTH-RYUDHWBXSA-N 2 0 257.378 -0.122 20 0 CBADRP C[NH+](C)C/C=C\C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000491884735 354461071 /nfs/dbraw/zinc/46/10/71/354461071.db2.gz NCYIPMZWILDTCC-WAYWQWQTSA-N 2 0 268.405 -0.190 20 0 CBADRP C[C@@H]1COCCN1CCNC(=O)/C=C\C[NH+](C)C ZINC000491869302 354461159 /nfs/dbraw/zinc/46/11/59/354461159.db2.gz NABRCUAAXLRPJD-QMAVJUDZSA-N 2 0 255.362 -0.059 20 0 CBADRP C[C@@H]1CN(CCNC(=O)/C=C/C[NH+](C)C)CCO1 ZINC000491869348 354461401 /nfs/dbraw/zinc/46/14/01/354461401.db2.gz NHZANNYWTPIJPS-ZYOFXKKJSA-N 2 0 255.362 -0.059 20 0 CBADRP C[NH+](C)C/C=C/C(=O)NCCN1CC[NH+](C)CC1 ZINC000491889556 354462759 /nfs/dbraw/zinc/46/27/59/354462759.db2.gz WCOUUZLVYZJVEP-SNAWJCMRSA-N 2 0 254.378 -0.532 20 0 CBADRP C[NH+](C)C/C=C/C(=O)NCC[N@@H+]1CCCOCC1 ZINC000492016419 354464910 /nfs/dbraw/zinc/46/49/10/354464910.db2.gz OFTIKOUTLWFQPI-HWKANZROSA-N 2 0 255.362 -0.057 20 0 CBADRP CN(C[C@@H](O)CN1CCOCC1)C(=O)/C=C\C[NH+](C)C ZINC000492101895 354466957 /nfs/dbraw/zinc/46/69/57/354466957.db2.gz DWNFORBNGZZKAM-DSYXLKISSA-N 2 0 285.388 -0.744 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000495147059 354498719 /nfs/dbraw/zinc/49/87/19/354498719.db2.gz NLCXNKLJFDYFDQ-IMRBUKKESA-N 2 0 266.389 -0.652 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C[C@H](C)[NH2+]1 ZINC000516273789 354556678 /nfs/dbraw/zinc/55/66/78/354556678.db2.gz XLQMFGUGCVZAPQ-QNWHQSFQSA-N 2 0 294.399 -0.642 20 0 CBADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CC[NH2+]CC1 ZINC000519601332 354564408 /nfs/dbraw/zinc/56/44/08/354564408.db2.gz WIOHRRBCLLWJBV-GFCCVEGCSA-N 2 0 263.345 -0.147 20 0 CBADRP C[NH2+][C@@H](C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000519611452 354565306 /nfs/dbraw/zinc/56/53/06/354565306.db2.gz LHFMFNJHVXPTGU-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000520565585 354568515 /nfs/dbraw/zinc/56/85/15/354568515.db2.gz OJMWGNUPJNOIQX-GFCCVEGCSA-N 2 0 284.404 -0.264 20 0 CBADRP CCOCC[C@@H](O)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000520568614 354568578 /nfs/dbraw/zinc/56/85/78/354568578.db2.gz AGTVKZVGTBHZGU-UONOGXRCSA-N 2 0 273.421 -0.001 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC000529311277 354583917 /nfs/dbraw/zinc/58/39/17/354583917.db2.gz DHORVBCPQDZFGQ-IJLUTSLNSA-N 2 0 270.377 -0.243 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)NC[C@H]2COCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000529316832 354585102 /nfs/dbraw/zinc/58/51/02/354585102.db2.gz PLMSZLLITFHQKN-WOPDTQHZSA-N 2 0 282.388 -0.101 20 0 CBADRP CC[C@@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000529390301 354585589 /nfs/dbraw/zinc/58/55/89/354585589.db2.gz TVAHWYDEYBJCBT-UTUOFQBUSA-N 2 0 270.377 -0.256 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529390765 354585722 /nfs/dbraw/zinc/58/57/22/354585722.db2.gz VWLGJUQLJFGCBG-NWDGAFQWSA-N 2 0 270.377 -0.255 20 0 CBADRP [NH3+]CC1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529390510 354586056 /nfs/dbraw/zinc/58/60/56/354586056.db2.gz VGJOXAXBCLMGOV-NSHDSACASA-N 2 0 256.350 -0.645 20 0 CBADRP C[NH+]1CCC[C@@H]1CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000546591311 354653636 /nfs/dbraw/zinc/65/36/36/354653636.db2.gz ZQZLFFCETFMGCW-YPMHNXCESA-N 2 0 270.377 -0.554 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)N1CCC1 ZINC000556812259 354682819 /nfs/dbraw/zinc/68/28/19/354682819.db2.gz FQFXANVNEQFYBR-UHFFFAOYSA-N 2 0 278.422 -0.638 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000557208290 354685339 /nfs/dbraw/zinc/68/53/39/354685339.db2.gz VAPQBULTHKNTSN-ZDUSSCGKSA-N 2 0 283.420 -0.325 20 0 CBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000557265146 354685798 /nfs/dbraw/zinc/68/57/98/354685798.db2.gz AFDKLHAZIAWMLM-GRYCIOLGSA-N 2 0 296.415 -0.443 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)CN1CC(C)(C)C1 ZINC000565195241 354731032 /nfs/dbraw/zinc/73/10/32/354731032.db2.gz NMWMCNAMLBIGGO-UHFFFAOYSA-N 2 0 257.378 -0.241 20 0 CBADRP O=C(CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH2+]CC1 ZINC000562805132 354687943 /nfs/dbraw/zinc/68/79/43/354687943.db2.gz YVMHRJHLJMIRMS-AVGNSLFASA-N 2 0 294.399 -0.545 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000562795086 354688147 /nfs/dbraw/zinc/68/81/47/354688147.db2.gz YXILZUNAFIYZAA-MQYQWHSLSA-N 2 0 296.415 -0.140 20 0 CBADRP O=C(CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH2+]CC1 ZINC000562805131 354688395 /nfs/dbraw/zinc/68/83/95/354688395.db2.gz YVMHRJHLJMIRMS-AGIUHOORSA-N 2 0 294.399 -0.545 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000562831824 354689260 /nfs/dbraw/zinc/68/92/60/354689260.db2.gz QKDNVESZOOOWNV-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP COCCN1CCC[C@@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC000562986339 354690606 /nfs/dbraw/zinc/69/06/06/354690606.db2.gz XGRCSJWVNXMQDR-KGLIPLIRSA-N 2 0 282.388 -0.056 20 0 CBADRP C[N@H+](CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C1CC1 ZINC000563055009 354693738 /nfs/dbraw/zinc/69/37/38/354693738.db2.gz JSENRXAWAAERHR-NSHDSACASA-N 2 0 292.387 -0.146 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]([NH3+])C1CCC1 ZINC000563074831 354694694 /nfs/dbraw/zinc/69/46/94/354694694.db2.gz QTCLVGBUGZAEIA-WCQYABFASA-N 2 0 268.405 -0.134 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)NCC[C@@H]1CC[NH2+]C1 ZINC000563100218 354696903 /nfs/dbraw/zinc/69/69/03/354696903.db2.gz XBOYOOSXFSLYHQ-NWDGAFQWSA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000563109380 354697174 /nfs/dbraw/zinc/69/71/74/354697174.db2.gz ASOJLIRLTVWBPT-AAEUAGOBSA-N 2 0 296.415 -0.027 20 0 CBADRP [NH3+]C1(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000563146746 354698819 /nfs/dbraw/zinc/69/88/19/354698819.db2.gz QTQNNIJZNVBMDF-NSHDSACASA-N 2 0 280.372 -0.852 20 0 CBADRP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)COCc1ccccc1F ZINC000563143661 354699138 /nfs/dbraw/zinc/69/91/38/354699138.db2.gz QVYAAFNAANUZCV-QWHCGFSZSA-N 2 0 286.347 -0.127 20 0 CBADRP O=C(CCN1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CC[NH2+]CC1 ZINC000563150063 354699971 /nfs/dbraw/zinc/69/99/71/354699971.db2.gz XUJKQVBOCLJHOU-CHWSQXEVSA-N 2 0 266.389 -0.650 20 0 CBADRP O=C1CNC(=O)N1CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563154631 354700174 /nfs/dbraw/zinc/70/01/74/354700174.db2.gz RKBOZVRUBVOKSS-VXGBXAGGSA-N 2 0 280.372 -0.140 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)c1csc(CC[NH3+])n1 ZINC000563162884 354700646 /nfs/dbraw/zinc/70/06/46/354700646.db2.gz PGNNRBWUWWEKHO-VIFPVBQESA-N 2 0 283.401 -0.722 20 0 CBADRP O=C(N1CCN([C@@H]2CC[NH2+]C2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000563811524 354704966 /nfs/dbraw/zinc/70/49/66/354704966.db2.gz HGMKDCVPJWHFPD-BZPMIXESSA-N 2 0 264.373 -0.756 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000564456786 354712903 /nfs/dbraw/zinc/71/29/03/354712903.db2.gz ORYCOFVIUXDVGQ-NEPJUHHUSA-N 2 0 282.388 -0.687 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC(=O)OC)CC1 ZINC000564890272 354719129 /nfs/dbraw/zinc/71/91/29/354719129.db2.gz SBAMXZZQFWMCPY-NSHDSACASA-N 2 0 271.361 -0.133 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000564932845 354720809 /nfs/dbraw/zinc/72/08/09/354720809.db2.gz JRWASVHVKJXRAG-UONOGXRCSA-N 2 0 296.415 -0.739 20 0 CBADRP [NH3+][C@H]1C[C@H]2C[N@H+](CC3CCOCC3)CCN2C1=O ZINC000565233710 354733789 /nfs/dbraw/zinc/73/37/89/354733789.db2.gz OXGCEKOEVFXQSS-RYUDHWBXSA-N 2 0 253.346 -0.343 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564957223 354722567 /nfs/dbraw/zinc/72/25/67/354722567.db2.gz GOCPVHSXOWMRTQ-UWVGGRQHSA-N 2 0 256.350 -0.902 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000564957222 354722836 /nfs/dbraw/zinc/72/28/36/354722836.db2.gz GOCPVHSXOWMRTQ-NXEZZACHSA-N 2 0 256.350 -0.902 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000565037914 354726344 /nfs/dbraw/zinc/72/63/44/354726344.db2.gz JNVJLLZXCHDQDN-UHFFFAOYSA-N 2 0 255.362 -0.083 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@@]2(COC)CC[NH2+]C2)CC1 ZINC000565149484 354728953 /nfs/dbraw/zinc/72/89/53/354728953.db2.gz RNHNNIYGRPRZKV-HNNXBMFYSA-N 2 0 299.415 -0.161 20 0 CBADRP [NH3+]CC12CCC(CC1)CN2C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000565149658 354729393 /nfs/dbraw/zinc/72/93/93/354729393.db2.gz XQDNCJDLMRMKIE-MQYJIDSJSA-N 2 0 294.399 -0.416 20 0 CBADRP CCN1CCO[C@H](C(=O)NCC2CC[NH2+]CC2)C1 ZINC000565774180 354745631 /nfs/dbraw/zinc/74/56/31/354745631.db2.gz XBACSBMQDDAZBO-LBPRGKRZSA-N 2 0 255.362 -0.177 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000565892326 354747906 /nfs/dbraw/zinc/74/79/06/354747906.db2.gz CKVJLMYYNUAYEP-JQWIXIFHSA-N 2 0 270.377 -0.718 20 0 CBADRP CN1CCN(C(=O)CCc2ccncn2)[C@H](C[NH3+])C1 ZINC000565949160 354748698 /nfs/dbraw/zinc/74/86/98/354748698.db2.gz PQOFADPDEKYUKV-GFCCVEGCSA-N 2 0 263.345 -0.490 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000565950922 354749750 /nfs/dbraw/zinc/74/97/50/354749750.db2.gz ANOQWJRBBGVDGA-DGCLKSJQSA-N 2 0 267.373 -0.035 20 0 CBADRP COC[C@H](O)C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000566109497 354752425 /nfs/dbraw/zinc/75/24/25/354752425.db2.gz RJUHGIMTAXPVQN-CQSZACIVSA-N 2 0 294.399 -0.070 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)COC1CC[NH2+]CC1 ZINC000566185537 354754873 /nfs/dbraw/zinc/75/48/73/354754873.db2.gz KAIIMVBXAXHMDJ-UHFFFAOYSA-N 2 0 287.404 -0.161 20 0 CBADRP C[C@@H](C(=O)NCC(=O)N1CC[NH2+]CC1)[NH+]1CCCCCC1 ZINC000566204278 354756966 /nfs/dbraw/zinc/75/69/66/354756966.db2.gz QHFGISWMELVABO-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000566212815 354757597 /nfs/dbraw/zinc/75/75/97/354757597.db2.gz WPVCXBBMJRTZMD-KBPBESRZSA-N 2 0 276.384 -0.251 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000566212820 354757734 /nfs/dbraw/zinc/75/77/34/354757734.db2.gz WPVCXBBMJRTZMD-UONOGXRCSA-N 2 0 276.384 -0.251 20 0 CBADRP O=C(CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000566244876 354759161 /nfs/dbraw/zinc/75/91/61/354759161.db2.gz KDUOMYLLQBQETI-OAHLLOKOSA-N 3 0 280.416 -0.116 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000566246864 354759764 /nfs/dbraw/zinc/75/97/64/354759764.db2.gz JBIJLWMCRFVFOR-SKDRFNHKSA-N 2 0 259.350 -0.244 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000566510015 354769873 /nfs/dbraw/zinc/76/98/73/354769873.db2.gz ZIOKEEBWPUHPFM-NWDGAFQWSA-N 2 0 270.377 -0.506 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000566507996 354770067 /nfs/dbraw/zinc/77/00/67/354770067.db2.gz PVQKZXJLKMMGAX-KKZNHRDASA-N 2 0 266.349 -0.647 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000566512101 354770512 /nfs/dbraw/zinc/77/05/12/354770512.db2.gz GZLPOZTUZXKNEH-NSHDSACASA-N 2 0 268.361 -0.981 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000566512068 354770652 /nfs/dbraw/zinc/77/06/52/354770652.db2.gz GOKRTOARIIHJPK-OLZOCXBDSA-N 2 0 294.399 -0.591 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000566512978 354770666 /nfs/dbraw/zinc/77/06/66/354770666.db2.gz RUUCOIJOHTVNJN-NWDGAFQWSA-N 2 0 282.388 -0.594 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000566618417 354772056 /nfs/dbraw/zinc/77/20/56/354772056.db2.gz KSOHRYQZUQZQMX-HZSPNIEDSA-N 2 0 298.431 -0.637 20 0 CBADRP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000566797982 354775154 /nfs/dbraw/zinc/77/51/54/354775154.db2.gz UDYHHXROFUAJMS-ZIAGYGMSSA-N 2 0 268.357 -0.266 20 0 CBADRP C[C@](C[NH3+])(NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C1CC1 ZINC000566859356 354776403 /nfs/dbraw/zinc/77/64/03/354776403.db2.gz VHFGWSVADZQOKA-BXUZGUMPSA-N 2 0 292.387 -0.113 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000566858950 354776432 /nfs/dbraw/zinc/77/64/32/354776432.db2.gz JEXURISTIXVKFE-AEJSXWLSSA-N 2 0 257.334 -0.524 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566984602 354778718 /nfs/dbraw/zinc/77/87/18/354778718.db2.gz MYIJZEGZOZHICR-GARJFASQSA-N 2 0 280.372 -0.855 20 0 CBADRP CN1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)[C@@H](C[NH3+])C1 ZINC000567031381 354779619 /nfs/dbraw/zinc/77/96/19/354779619.db2.gz KDJSPWLUTZKZMY-STQMWFEESA-N 2 0 283.420 -0.212 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000567168687 354782521 /nfs/dbraw/zinc/78/25/21/354782521.db2.gz TWZVHSLHNJAVJR-QXEWZRGKSA-N 2 0 258.366 -0.672 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000567262421 354784211 /nfs/dbraw/zinc/78/42/11/354784211.db2.gz OAOXPKWFCHJEGB-GJZGRUSLSA-N 2 0 286.464 -0.085 20 0 CBADRP CCC[C@H](C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[NH+](C)C ZINC000567292424 354784882 /nfs/dbraw/zinc/78/48/82/354784882.db2.gz PROVWMXYNMIUDF-SDDRHHMPSA-N 2 0 282.388 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[NH3+]C[C@H]1CCCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000567834880 354799814 /nfs/dbraw/zinc/79/98/14/354799814.db2.gz OKQIWVWOZPTERC-VXGBXAGGSA-N 2 0 255.362 -0.048 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)c1cn(CCC[NH3+])nn1 ZINC000567825368 354799933 /nfs/dbraw/zinc/79/99/33/354799933.db2.gz MJWJQXANDVUTJL-UHFFFAOYSA-N 2 0 280.376 -0.207 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000567839826 354801032 /nfs/dbraw/zinc/80/10/32/354801032.db2.gz PZPBNSSDVLNQLE-WDEREUQCSA-N 2 0 280.376 -0.255 20 0 CBADRP C[N@H+](C[C@@H](O)CNC[C@@H]1CCCC[NH+]1CCO)C1CC1 ZINC000567872826 354801592 /nfs/dbraw/zinc/80/15/92/354801592.db2.gz IBHAWZXRWAWCNR-GJZGRUSLSA-N 2 0 285.432 -0.122 20 0 CBADRP CCN(C)C(=O)CC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000567899521 354804150 /nfs/dbraw/zinc/80/41/50/354804150.db2.gz BDXWHBODXKZOIM-UHFFFAOYSA-N 2 0 270.377 -0.782 20 0 CBADRP C(C[NH+]1CCC2(CC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC000567899729 354804581 /nfs/dbraw/zinc/80/45/81/354804581.db2.gz RMIRNCCDOHVTLY-UHFFFAOYSA-N 3 0 252.406 -0.033 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567975353 354806872 /nfs/dbraw/zinc/80/68/72/354806872.db2.gz RHFLVSKMGCRNRA-TUAOUCFPSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)CC1 ZINC000568211622 354815392 /nfs/dbraw/zinc/81/53/92/354815392.db2.gz DIAHKMGSVWHYPI-HNNXBMFYSA-N 2 0 281.400 -0.099 20 0 CBADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000568267882 354819264 /nfs/dbraw/zinc/81/92/64/354819264.db2.gz NWACLHHXCOHABE-VOAKCMCISA-N 2 0 294.399 -0.609 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000568266674 354819454 /nfs/dbraw/zinc/81/94/54/354819454.db2.gz GYYFHNWATVYJGT-GVXVVHGQSA-N 2 0 255.362 -0.144 20 0 CBADRP CC[NH+](CC)CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000568286791 354820741 /nfs/dbraw/zinc/82/07/41/354820741.db2.gz GQVGDFFVSJWNGM-RYUDHWBXSA-N 2 0 297.403 -0.718 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000568296069 354821460 /nfs/dbraw/zinc/82/14/60/354821460.db2.gz YICVVANITBOGQS-UTUOFQBUSA-N 2 0 295.387 -0.966 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000568296070 354821678 /nfs/dbraw/zinc/82/16/78/354821678.db2.gz YICVVANITBOGQS-WOPDTQHZSA-N 2 0 295.387 -0.966 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000568877019 354833938 /nfs/dbraw/zinc/83/39/38/354833938.db2.gz MOLHPCAJKCFOTM-NEPJUHHUSA-N 2 0 283.372 -0.036 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C1([NH3+])CCC1 ZINC000568877434 354833999 /nfs/dbraw/zinc/83/39/99/354833999.db2.gz GJCWBDNZVLSXIE-NSHDSACASA-N 2 0 254.378 -0.380 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000568399296 354823773 /nfs/dbraw/zinc/82/37/73/354823773.db2.gz IUCINHYYIXIMTB-GFCCVEGCSA-N 2 0 268.405 -0.119 20 0 CBADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000568609406 354827656 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C[NH2+]C[C@H]1CCN(C(=O)[C@]2(COC)CC[NH2+]C2)C1 ZINC000571044898 354875836 /nfs/dbraw/zinc/87/58/36/354875836.db2.gz KZEIMXPODDWPQZ-DGCLKSJQSA-N 2 0 255.362 -0.320 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000571031362 354876296 /nfs/dbraw/zinc/87/62/96/354876296.db2.gz IZYUNEXYCVOXMO-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000568902453 354835226 /nfs/dbraw/zinc/83/52/26/354835226.db2.gz LLNRFKLDNJXKEM-ZDUSSCGKSA-N 2 0 296.415 -0.155 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000569243910 354840881 /nfs/dbraw/zinc/84/08/81/354840881.db2.gz FGTNFEODSVKDIQ-SDDRHHMPSA-N 2 0 255.362 -0.444 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000569238673 354841020 /nfs/dbraw/zinc/84/10/20/354841020.db2.gz OBPBFJJNWPNHAL-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000569721210 354845004 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Cn1cncc1CCCN1CCO[C@@H](C(N)=O)C1 ZINC000570173599 354855953 /nfs/dbraw/zinc/85/59/53/354855953.db2.gz KPEYCGGGGBXCRG-LLVKDONJSA-N 2 0 252.318 -0.461 20 0 CBADRP C[C@@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[NH+]1CC(C)C1 ZINC000570223178 354857886 /nfs/dbraw/zinc/85/78/86/354857886.db2.gz NWUPGBHEUQDRMZ-ZDUSSCGKSA-N 2 0 296.415 -0.441 20 0 CBADRP CN1CC[C@H]([N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000570280675 354858493 /nfs/dbraw/zinc/85/84/93/354858493.db2.gz FAMZJYDIUUPXBU-STQMWFEESA-N 2 0 294.399 -0.639 20 0 CBADRP CN1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000570568702 354865100 /nfs/dbraw/zinc/86/51/00/354865100.db2.gz DWTTZWXEWQXIGO-NEPJUHHUSA-N 2 0 254.378 -0.523 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)C1 ZINC000571895543 354883388 /nfs/dbraw/zinc/88/33/88/354883388.db2.gz RZBWIZUYYNMAKM-NXEZZACHSA-N 2 0 251.334 -0.001 20 0 CBADRP CN1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)[C@@H](C[NH3+])C1 ZINC000572134353 354887109 /nfs/dbraw/zinc/88/71/09/354887109.db2.gz HCCZGQYZFGFYDZ-NEPJUHHUSA-N 2 0 269.393 -0.635 20 0 CBADRP COC(=O)CCNC(=O)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000572159384 354888316 /nfs/dbraw/zinc/88/83/16/354888316.db2.gz JUWVYTIZJUDBOF-ZDUSSCGKSA-N 2 0 269.345 -0.649 20 0 CBADRP CCC[N@H+](CC)CCNC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000572235683 354889089 /nfs/dbraw/zinc/88/90/89/354889089.db2.gz FRMNGEGDKOKCJO-OAHLLOKOSA-N 2 0 286.464 -0.084 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000572241507 354889184 /nfs/dbraw/zinc/88/91/84/354889184.db2.gz YNORWINXSXNQPS-LBPRGKRZSA-N 2 0 266.345 -0.349 20 0 CBADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000572494542 354891950 /nfs/dbraw/zinc/89/19/50/354891950.db2.gz YQLYEMSPDLFIGK-WOPDTQHZSA-N 2 0 257.378 -0.067 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000572499102 354893004 /nfs/dbraw/zinc/89/30/04/354893004.db2.gz SMEQJMNXMYFEHD-UHFFFAOYSA-N 2 0 272.393 -0.358 20 0 CBADRP COC[C@@H](O)C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000572714588 354895330 /nfs/dbraw/zinc/89/53/30/354895330.db2.gz QHZTWIHKBQRCAS-LBPRGKRZSA-N 2 0 259.394 -0.391 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000572721825 354895911 /nfs/dbraw/zinc/89/59/11/354895911.db2.gz GSQIQPDQAWSFBC-CHWSQXEVSA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000572721826 354896241 /nfs/dbraw/zinc/89/62/41/354896241.db2.gz GSQIQPDQAWSFBC-OLZOCXBDSA-N 2 0 268.405 -0.133 20 0 CBADRP CCC(CC)(CO)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000572842225 354899292 /nfs/dbraw/zinc/89/92/92/354899292.db2.gz WSAAJKXLGQLOJI-CQSZACIVSA-N 2 0 287.448 -0.017 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)N[C@H]1C[NH2+]CCC1(F)F ZINC000572959270 354900957 /nfs/dbraw/zinc/90/09/57/354900957.db2.gz BBHAANSZSNOYES-ZJUUUORDSA-N 2 0 277.315 -0.132 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CCOC3C[NH2+]C3)C[C@H]21 ZINC000572991962 354902834 /nfs/dbraw/zinc/90/28/34/354902834.db2.gz IDDDHAWZEQDLMS-CYZMBNFOSA-N 2 0 267.373 -0.049 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000573241963 354908298 /nfs/dbraw/zinc/90/82/98/354908298.db2.gz WJBHHSXGTKWGGD-NEPJUHHUSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000573217024 354908367 /nfs/dbraw/zinc/90/83/67/354908367.db2.gz XRGKGWDAQXBKPP-GXSJLCMTSA-N 2 0 266.345 -0.604 20 0 CBADRP CC(C)NC(=O)CN(C)CC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000573248023 354909337 /nfs/dbraw/zinc/90/93/37/354909337.db2.gz ZHQZTRTXABAJEQ-UWVGGRQHSA-N 2 0 258.366 -0.705 20 0 CBADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000573308928 354910254 /nfs/dbraw/zinc/91/02/54/354910254.db2.gz UOMSFUHCHYOWIR-CYBMUJFWSA-N 2 0 283.420 -0.373 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000573485562 354913985 /nfs/dbraw/zinc/91/39/85/354913985.db2.gz NNLZNBYNICDWMO-CYBMUJFWSA-N 2 0 280.372 -0.055 20 0 CBADRP CC(C)(CC[NH3+])NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000571764801 354879990 /nfs/dbraw/zinc/87/99/90/354879990.db2.gz KKPSUUNICQCXOU-VIFPVBQESA-N 2 0 256.350 -0.902 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000571778656 354880114 /nfs/dbraw/zinc/88/01/14/354880114.db2.gz PTTKCVVWCHWARS-RYUDHWBXSA-N 2 0 282.388 -0.687 20 0 CBADRP CCCCNC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000571821163 354881273 /nfs/dbraw/zinc/88/12/73/354881273.db2.gz KDMDQUBJXBHLSD-WDEREUQCSA-N 2 0 268.361 -0.854 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000579005083 354960140 /nfs/dbraw/zinc/96/01/40/354960140.db2.gz BJZIONHRGORGQG-GRYCIOLGSA-N 2 0 292.387 -0.113 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000579005086 354960268 /nfs/dbraw/zinc/96/02/68/354960268.db2.gz BJZIONHRGORGQG-WOPDTQHZSA-N 2 0 292.387 -0.113 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000573966392 354925455 /nfs/dbraw/zinc/92/54/55/354925455.db2.gz AUEYXKWCAKIXSE-MDZLAQPJSA-N 2 0 282.388 -0.561 20 0 CBADRP CO[C@@H]1CC[C@@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000574023977 354925914 /nfs/dbraw/zinc/92/59/14/354925914.db2.gz GYMMKMCEOMKMIW-GRYCIOLGSA-N 2 0 270.377 -0.162 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CCSC2)[C@@H](C[NH3+])C1 ZINC000574059533 354926947 /nfs/dbraw/zinc/92/69/47/354926947.db2.gz HRDGDJGJFIEQHB-ZJUUUORDSA-N 2 0 258.391 -0.224 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000574142148 354929210 /nfs/dbraw/zinc/92/92/10/354929210.db2.gz IIFFHXMXMFGFPC-CYBMUJFWSA-N 3 0 287.452 -0.023 20 0 CBADRP O=C(NCC[N@@H+]1CCCOCC1)N[C@H]1CC[NH2+]C1 ZINC000578207308 354940443 /nfs/dbraw/zinc/94/04/43/354940443.db2.gz SGTDOSMWDZWOBC-NSHDSACASA-N 2 0 256.350 -0.630 20 0 CBADRP C[C@H](NC(=O)C12CCC[NH+]1CCC2)C(=O)NCC[NH+](C)C ZINC000578247288 354942202 /nfs/dbraw/zinc/94/22/02/354942202.db2.gz QQWRCMHKAQUFBK-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC[NH2+]C1 ZINC000578321628 354942781 /nfs/dbraw/zinc/94/27/81/354942781.db2.gz PDFSEWCBDMMNTQ-WZRBSPASSA-N 2 0 255.362 -0.131 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000578533309 354948743 /nfs/dbraw/zinc/94/87/43/354948743.db2.gz BQXWNXJQESSDAC-GFCCVEGCSA-N 3 0 272.393 -0.719 20 0 CBADRP CC(C)(C)[NH2+]CCN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000578668887 354953095 /nfs/dbraw/zinc/95/30/95/354953095.db2.gz SZQSHPZNNNGSRG-MNOVXSKESA-N 2 0 254.378 -0.382 20 0 CBADRP CC(C)NC(=O)CN(C)CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000578747359 354953662 /nfs/dbraw/zinc/95/36/62/354953662.db2.gz VNJDRAOUZWOPPT-NSHDSACASA-N 2 0 270.377 -0.689 20 0 CBADRP O=C(NC[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1)[C@H]1CCC[NH2+]1 ZINC000578770318 354954434 /nfs/dbraw/zinc/95/44/34/354954434.db2.gz PLAKQIFFFYOSNP-YNEHKIRRSA-N 2 0 294.399 -0.545 20 0 CBADRP CO[C@H]1CCN(CCC(=O)N2CCN(C)CC2)[C@@H](C[NH3+])C1 ZINC000578867979 354956110 /nfs/dbraw/zinc/95/61/10/354956110.db2.gz JWEXCIQSSSISQJ-KGLIPLIRSA-N 3 0 298.431 -0.411 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000578889596 354957139 /nfs/dbraw/zinc/95/71/39/354957139.db2.gz RJONXGDTZNGZJA-DTWKUNHWSA-N 2 0 279.348 -0.849 20 0 CBADRP COC[C@@]1(C(=O)N[C@H](CC[NH3+])C(F)F)CC[NH2+]C1 ZINC000578890098 354957314 /nfs/dbraw/zinc/95/73/14/354957314.db2.gz GBUPHPVIQRXCGW-LDYMZIIASA-N 2 0 265.304 -0.289 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000573684882 354918335 /nfs/dbraw/zinc/91/83/35/354918335.db2.gz PXLZZELUGDCNOT-JOYOIKCWSA-N 2 0 257.334 -0.490 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000573682588 354918782 /nfs/dbraw/zinc/91/87/82/354918782.db2.gz JOXMERQGYDPDCX-NSHDSACASA-N 2 0 292.387 -0.878 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000579005400 354960017 /nfs/dbraw/zinc/96/00/17/354960017.db2.gz ITNHMFLGVRHXIL-SECBINFHSA-N 2 0 263.288 -0.522 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000343871573 291048991 /nfs/dbraw/zinc/04/89/91/291048991.db2.gz LVZYVJWKPPEIRH-MNOVXSKESA-N 2 0 287.360 -0.944 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)[C@H](C)N2CCN(C)CC2)C1 ZINC000579474795 354971081 /nfs/dbraw/zinc/97/10/81/354971081.db2.gz OCUFXJGLPCQNLE-RYUDHWBXSA-N 2 0 254.378 -0.557 20 0 CBADRP CC(C)[C@@H](C[NH2+]CCC(=O)NC(N)=O)N1CC[NH+](C)CC1 ZINC000579583284 354973983 /nfs/dbraw/zinc/97/39/83/354973983.db2.gz MNKQGEQANOGBSA-GFCCVEGCSA-N 2 0 299.419 -0.567 20 0 CBADRP CCC(CC)(C[NH3+])NC(=O)c1cn(CCC[NH3+])nn1 ZINC000579700971 354976923 /nfs/dbraw/zinc/97/69/23/354976923.db2.gz SSCVDTIRUOZAPR-UHFFFAOYSA-N 2 0 268.365 -0.126 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000579735447 354979090 /nfs/dbraw/zinc/97/90/90/354979090.db2.gz CFJIVACXVIBARF-NWDGAFQWSA-N 2 0 267.377 -0.963 20 0 CBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C2([NH3+])CCC2)CC1 ZINC000579828596 354979878 /nfs/dbraw/zinc/97/98/78/354979878.db2.gz GGSRFZOKNROJLM-UHFFFAOYSA-N 2 0 296.415 -0.073 20 0 CBADRP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000580072682 354986974 /nfs/dbraw/zinc/98/69/74/354986974.db2.gz DPQJNAXJHJJKDK-ZGVCCVRISA-N 2 0 294.399 -0.404 20 0 CBADRP C[N@@H+]1CCN(CC[NH2+]C[C@@H](O)Cn2cccn2)CC1(C)C ZINC000580064585 354987315 /nfs/dbraw/zinc/98/73/15/354987315.db2.gz LGFZRIWKBGBNQX-CQSZACIVSA-N 2 0 295.431 -0.140 20 0 CBADRP C[C@@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[C@H](C)[NH3+] ZINC000581010366 355003657 /nfs/dbraw/zinc/00/36/57/355003657.db2.gz CNIHMLSSUZNHGB-VWYCJHECSA-N 2 0 270.377 -0.717 20 0 CBADRP C[NH+](C)C1(CNC(=O)C2(C)C[NH2+]C2)CCOCC1 ZINC000580712546 354996918 /nfs/dbraw/zinc/99/69/18/354996918.db2.gz JZKMWWDPNXRUIJ-UHFFFAOYSA-N 2 0 255.362 -0.177 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000580775401 354997542 /nfs/dbraw/zinc/99/75/42/354997542.db2.gz VECCSQXSUOERQQ-MDZLAQPJSA-N 2 0 282.388 -0.704 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000580823788 354999335 /nfs/dbraw/zinc/99/93/35/354999335.db2.gz YDJWFWGZSASZPJ-MELADBBJSA-N 2 0 295.431 -0.341 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000580942126 355001772 /nfs/dbraw/zinc/00/17/72/355001772.db2.gz LFNAFGHGZAABIT-GXSJLCMTSA-N 2 0 268.361 -0.937 20 0 CBADRP C[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@H]1C[NH3+] ZINC000584590254 355032814 /nfs/dbraw/zinc/03/28/14/355032814.db2.gz SQEFPOYKFPNTGP-QCNOEVLYSA-N 2 0 255.362 -0.064 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)C2(OC)CC[NH2+]CC2)C1 ZINC000584599517 355033051 /nfs/dbraw/zinc/03/30/51/355033051.db2.gz ZSTONWRTNPPOHN-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[C@@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000584716285 355035618 /nfs/dbraw/zinc/03/56/18/355035618.db2.gz FYXDIQOJHGQDOH-VXGBXAGGSA-N 2 0 256.394 -0.277 20 0 CBADRP CC(C)OC[C@H](O)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000584834878 355038834 /nfs/dbraw/zinc/03/88/34/355038834.db2.gz ZQELSVVVNCBXSY-UONOGXRCSA-N 2 0 273.421 -0.002 20 0 CBADRP CC(C)OC[C@H](O)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000584834879 355038864 /nfs/dbraw/zinc/03/88/64/355038864.db2.gz ZQELSVVVNCBXSY-ZIAGYGMSSA-N 2 0 273.421 -0.002 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)c1ccnc(C[NH3+])c1 ZINC000584833749 355039054 /nfs/dbraw/zinc/03/90/54/355039054.db2.gz NSHUENPEIOWYOV-LBPRGKRZSA-N 2 0 263.345 -0.826 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000584839040 355040089 /nfs/dbraw/zinc/04/00/89/355040089.db2.gz CRJLGLYRHLDWHY-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000582073159 355007505 /nfs/dbraw/zinc/00/75/05/355007505.db2.gz UXJICUOTBMHAJY-OLZOCXBDSA-N 2 0 296.415 -0.168 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CC[NH2+]C1CC1 ZINC000582250896 355011159 /nfs/dbraw/zinc/01/11/59/355011159.db2.gz GNIHSQONLQWCGE-ZDUSSCGKSA-N 2 0 296.415 -0.025 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000582240034 355011778 /nfs/dbraw/zinc/01/17/78/355011778.db2.gz NGZMCVPINCWULO-VIFPVBQESA-N 2 0 254.338 -0.660 20 0 CBADRP C[C@@H](NC(=O)[C@H](C)[NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000582358536 355014815 /nfs/dbraw/zinc/01/48/15/355014815.db2.gz BZWZKONGTVGQEZ-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@]([NH3+])(C(=O)NC[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000582421825 355015743 /nfs/dbraw/zinc/01/57/43/355015743.db2.gz RTLCNLZRWDMQMA-OCCSQVGLSA-N 2 0 263.341 -0.035 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@H]1C[NH2+]CCN1C)[C@@H](C)[NH3+] ZINC000582601235 355016990 /nfs/dbraw/zinc/01/69/90/355016990.db2.gz VZOOMIMEAXCZNH-WOPDTQHZSA-N 2 0 256.394 -0.374 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000583500315 355018050 /nfs/dbraw/zinc/01/80/50/355018050.db2.gz SZTNPFRYJUWVBV-DCAQKATOSA-N 2 0 282.388 -0.419 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000419417049 295895047 /nfs/dbraw/zinc/89/50/47/295895047.db2.gz HQPFIXQLSLDNBR-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000419126182 295895133 /nfs/dbraw/zinc/89/51/33/295895133.db2.gz VQZZHEWKXDGLAI-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP O=C(NCC[N@H+]1CC=CCC1)NC[C@@H]1C[NH2+]CCO1 ZINC000583683421 355021923 /nfs/dbraw/zinc/02/19/23/355021923.db2.gz QYUYIDHPCNSELF-LBPRGKRZSA-N 2 0 268.361 -0.464 20 0 CBADRP Cc1noc(CCCN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)n1 ZINC000583883018 355024035 /nfs/dbraw/zinc/02/40/35/355024035.db2.gz CMTHMFVKZIZXSY-GHMZBOCLSA-N 2 0 279.344 -0.446 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000583992351 355026507 /nfs/dbraw/zinc/02/65/07/355026507.db2.gz GJDLEHJXIWNEMC-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000584102652 355028987 /nfs/dbraw/zinc/02/89/87/355028987.db2.gz AICSADLKKPDCPA-LLVKDONJSA-N 2 0 285.392 -0.909 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000584466947 355029668 /nfs/dbraw/zinc/02/96/68/355029668.db2.gz QWWDEAOMVFRCBJ-LLVKDONJSA-N 2 0 253.346 -0.329 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591865374 355113997 /nfs/dbraw/zinc/11/39/97/355113997.db2.gz WWVLBYLFIVCNFN-GFCCVEGCSA-N 2 0 257.378 -0.025 20 0 CBADRP Cc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CC2 ZINC000591910354 355118041 /nfs/dbraw/zinc/11/80/41/355118041.db2.gz WMUHVEBWYFRTJI-CHWSQXEVSA-N 2 0 279.388 -0.052 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000591354763 355094470 /nfs/dbraw/zinc/09/44/70/355094470.db2.gz YDZVNIYAPGXLKV-MNOVXSKESA-N 2 0 271.361 -0.262 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000592546532 355160856 /nfs/dbraw/zinc/16/08/56/355160856.db2.gz ANSYDSQRYXRZPZ-ZJUUUORDSA-N 2 0 257.334 -0.795 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000592557501 355163689 /nfs/dbraw/zinc/16/36/89/355163689.db2.gz YUQXIFUYYSFEBB-VWYCJHECSA-N 2 0 269.345 -0.652 20 0 CBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C2)CC1 ZINC000592559398 355164413 /nfs/dbraw/zinc/16/44/13/355164413.db2.gz SCWOZVHDEOTGEC-BARDWOONSA-N 2 0 292.427 -0.025 20 0 CBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)CC1 ZINC000592559087 355164650 /nfs/dbraw/zinc/16/46/50/355164650.db2.gz JDAVCFCGLRKSEV-BYNSBNAKSA-N 2 0 292.427 -0.310 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592568988 355165502 /nfs/dbraw/zinc/16/55/02/355165502.db2.gz UKVSYMCDZVJMGV-UWVGGRQHSA-N 2 0 269.345 -0.332 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000592245857 355145481 /nfs/dbraw/zinc/14/54/81/355145481.db2.gz JCMSMCDNDSGJCG-GUBZILKMSA-N 2 0 255.318 -0.913 20 0 CBADRP CSCC[C@H]([NH3+])C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592307858 355147372 /nfs/dbraw/zinc/14/73/72/355147372.db2.gz JULJATJYIOAYPL-UTLUCORTSA-N 2 0 261.391 -0.359 20 0 CBADRP COC(=O)CN(C)C(=O)CC[NH+]1CCC([NH3+])CC1 ZINC000592469599 355155386 /nfs/dbraw/zinc/15/53/86/355155386.db2.gz YHJNGKWYXAHTKS-UHFFFAOYSA-N 2 0 257.334 -0.569 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]CC1(C)C ZINC000592473457 355156102 /nfs/dbraw/zinc/15/61/02/355156102.db2.gz OWVGIVHUSPZHBK-SECBINFHSA-N 2 0 257.334 -0.523 20 0 CBADRP CCOC(=O)CNC(=O)C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000592495922 355158513 /nfs/dbraw/zinc/15/85/13/355158513.db2.gz XGDWBTZGDPTCRR-LBPRGKRZSA-N 2 0 297.399 -0.013 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@H]([NH3+])CCSC)C[C@H]1C[NH3+] ZINC000593914179 355229893 /nfs/dbraw/zinc/22/98/93/355229893.db2.gz AJXMCDOVKSXPEM-GMTAPVOTSA-N 2 0 275.418 -0.111 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000594186031 355237865 /nfs/dbraw/zinc/23/78/65/355237865.db2.gz IANHWVXDQHAVNQ-NEPJUHHUSA-N 2 0 255.362 -0.225 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000594443664 355248844 /nfs/dbraw/zinc/24/88/44/355248844.db2.gz HMGPXPMLPBKPEF-TYNCELHUSA-N 2 0 295.383 -0.260 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)CC3([NH3+])CCC3)CCN2C1=O ZINC000594873648 355266163 /nfs/dbraw/zinc/26/61/63/355266163.db2.gz GLRDXFBJCRULGD-NXEZZACHSA-N 2 0 266.345 -0.972 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594879648 355267752 /nfs/dbraw/zinc/26/77/52/355267752.db2.gz FMMXIXFFOGTEPZ-KXNHARMFSA-N 2 0 280.372 -0.855 20 0 CBADRP CC(C)[C@H]([NH3+])CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594880563 355267863 /nfs/dbraw/zinc/26/78/63/355267863.db2.gz UVVOHJPEBMCGKB-HBNTYKKESA-N 2 0 268.361 -0.870 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419421146 295902006 /nfs/dbraw/zinc/90/20/06/295902006.db2.gz LHFIRQKTEGPWDG-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)C1=O ZINC000595890183 355314422 /nfs/dbraw/zinc/31/44/22/355314422.db2.gz ZGIGBTPSDSFMBQ-UTUOFQBUSA-N 2 0 283.372 -0.181 20 0 CBADRP NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900732 355315847 /nfs/dbraw/zinc/31/58/47/355315847.db2.gz JJAVWGSQFPCHMR-LLVKDONJSA-N 2 0 268.361 -0.107 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCC[C@H](C)[NH+](C)C ZINC000595939178 355321642 /nfs/dbraw/zinc/32/16/42/355321642.db2.gz GJRYLFTZLYNESY-UWVGGRQHSA-N 2 0 259.350 -0.277 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CC1([NH3+])CC1 ZINC000595951587 355326536 /nfs/dbraw/zinc/32/65/36/355326536.db2.gz SCCVLEMNDKWSPJ-SECBINFHSA-N 2 0 255.318 -0.769 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[NH2+]C(C)C ZINC000595952130 355326824 /nfs/dbraw/zinc/32/68/24/355326824.db2.gz XPXNULCUUKHHBA-JTQLQIEISA-N 2 0 257.334 -0.652 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000595979117 355333832 /nfs/dbraw/zinc/33/38/32/355333832.db2.gz RBJXSPMHPJMPER-OUAUKWLOSA-N 2 0 271.361 -0.147 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCC[NH2+]CC3)CCN2C1=O ZINC000595264545 355276152 /nfs/dbraw/zinc/27/61/52/355276152.db2.gz BNNJQJHDANKRKU-QJPTWQEYSA-N 2 0 295.387 -0.918 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595274629 355278116 /nfs/dbraw/zinc/27/81/16/355278116.db2.gz YLLATUAXQJXFLG-UTUOFQBUSA-N 2 0 297.403 -0.687 20 0 CBADRP COC(=O)CCN1CCC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000595293226 355279826 /nfs/dbraw/zinc/27/98/26/355279826.db2.gz HWQZTJNMMSMMDP-FRRDWIJNSA-N 2 0 295.383 -0.308 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C2CC2)C1 ZINC000427472900 283100804 /nfs/dbraw/zinc/10/08/04/283100804.db2.gz SUJGKOZEPBYRLN-TZMCWYRMSA-N 2 0 267.373 -0.204 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598667490 355449303 /nfs/dbraw/zinc/44/93/03/355449303.db2.gz JBSLCOQDETVYSF-KWBADKCTSA-N 2 0 269.345 -0.393 20 0 CBADRP COC(=O)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[N@H+](C)C1 ZINC000598793228 355455385 /nfs/dbraw/zinc/45/53/85/355455385.db2.gz XRNWOMKOKYBORR-CYBMUJFWSA-N 2 0 297.399 -0.109 20 0 CBADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2COCCN2)CC[NH2+]CC1 ZINC000600708434 355562419 /nfs/dbraw/zinc/56/24/19/355562419.db2.gz CTTSBEVWVOVCDL-STQMWFEESA-N 2 0 299.415 -0.114 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C[NH2+]1 ZINC000599933397 355518831 /nfs/dbraw/zinc/51/88/31/355518831.db2.gz JECKMRUBDXVTBH-RHYQMDGZSA-N 2 0 295.387 -0.920 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000599933163 355518982 /nfs/dbraw/zinc/51/89/82/355518982.db2.gz CZRWUXZNPQQTRZ-FIQHERPVSA-N 2 0 295.387 -0.920 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCC[NH+](C)C ZINC000601208730 355580641 /nfs/dbraw/zinc/58/06/41/355580641.db2.gz ZTZCSUVMPQXPCF-LBPRGKRZSA-N 2 0 271.409 -0.517 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602432862 355649797 /nfs/dbraw/zinc/64/97/97/355649797.db2.gz JLQRZYRPIYMIMU-LJQANCHMSA-N 2 0 289.445 -0.070 20 0 CBADRP C[C@@H]1CN(C(=O)C2([S@](C)=O)CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000602435856 355650239 /nfs/dbraw/zinc/65/02/39/355650239.db2.gz VLEYBTLMDYFMIH-QQKBFRNYSA-N 2 0 287.429 -0.304 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000602490645 355653644 /nfs/dbraw/zinc/65/36/44/355653644.db2.gz DXWATOKBIQGIFB-QWRGUYRKSA-N 2 0 267.329 -0.603 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000602493103 355653937 /nfs/dbraw/zinc/65/39/37/355653937.db2.gz NKZORKCODBDHJM-RYUDHWBXSA-N 2 0 283.372 -0.166 20 0 CBADRP CC[C@H](C(=O)N1CCC[NH2+]C[C@H]1C(=O)OC)[NH+](C)C ZINC000602491399 355654103 /nfs/dbraw/zinc/65/41/03/355654103.db2.gz HUEHGLOAURVGRT-MNOVXSKESA-N 2 0 271.361 -0.310 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000602490643 355654128 /nfs/dbraw/zinc/65/41/28/355654128.db2.gz DXWATOKBIQGIFB-GHMZBOCLSA-N 2 0 267.329 -0.603 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000602532570 355658540 /nfs/dbraw/zinc/65/85/40/355658540.db2.gz YJPHNYJJARPEFA-WDEREUQCSA-N 2 0 271.361 -0.277 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000430695279 283113613 /nfs/dbraw/zinc/11/36/13/283113613.db2.gz MPAKNIYRVWKMMR-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000601970965 355622982 /nfs/dbraw/zinc/62/29/82/355622982.db2.gz RVRXTMOJJHDIEJ-TVYUQYBPSA-N 2 0 269.345 -0.665 20 0 CBADRP COC(=O)[C@@H]1CN(C(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+](C)C1 ZINC000602164646 355637119 /nfs/dbraw/zinc/63/71/19/355637119.db2.gz VZCOGJVIEKJJHX-STQMWFEESA-N 2 0 297.399 -0.109 20 0 CBADRP CC[N@H+](C)C[C@@H](O)Cn1cc(CSCC[NH3+])nn1 ZINC000603262490 355702168 /nfs/dbraw/zinc/70/21/68/355702168.db2.gz WLLQPTKTDVTWFR-LLVKDONJSA-N 2 0 273.406 -0.217 20 0 CBADRP C(CN1C[C@H]2C[NH2+]C[C@H]2C1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000607151006 355746515 /nfs/dbraw/zinc/74/65/15/355746515.db2.gz ZSTUQNQBBGCBPG-NMWPEEMBSA-N 3 0 264.417 -0.321 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612879553 355854240 /nfs/dbraw/zinc/85/42/40/355854240.db2.gz ZMFLIWZUDJJQTL-OCCSQVGLSA-N 2 0 283.420 -0.327 20 0 CBADRP C[C@@H](CNC(=O)N[C@@]1(C)CC[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000612887601 355854745 /nfs/dbraw/zinc/85/47/45/355854745.db2.gz QREZKGDAPIXEDN-ZFWWWQNUSA-N 2 0 297.447 -0.079 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612881186 355854913 /nfs/dbraw/zinc/85/49/13/355854913.db2.gz ZCWFOJLJXKIHHK-AAEUAGOBSA-N 2 0 269.393 -0.717 20 0 CBADRP COC[C@]1(CNC(=O)N[C@@]2(C)CC[NH2+]C2)CCC[NH2+]1 ZINC000612926942 355857102 /nfs/dbraw/zinc/85/71/02/355857102.db2.gz NVSSHWLSWRZMCE-QWHCGFSZSA-N 2 0 270.377 -0.194 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612987813 355859513 /nfs/dbraw/zinc/85/95/13/355859513.db2.gz QKMBXGCSMZBWNG-ZDUSSCGKSA-N 2 0 295.431 -0.277 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612993573 355859831 /nfs/dbraw/zinc/85/98/31/355859831.db2.gz OUNTUYVMCDSQLP-WDEREUQCSA-N 2 0 268.361 -0.584 20 0 CBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000612992572 355860013 /nfs/dbraw/zinc/86/00/13/355860013.db2.gz HKRIXHFKAAORPG-ZRUFSTJUSA-N 2 0 250.346 -0.355 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000612995159 355860361 /nfs/dbraw/zinc/86/03/61/355860361.db2.gz WLCLHFLOORXXBN-MNOVXSKESA-N 2 0 268.361 -0.502 20 0 CBADRP C[C@@H](NC(=O)[C@H](C)[NH+](C)C)[C@@H](C)NC(=O)[C@H](C)[NH+](C)C ZINC000613957089 355924345 /nfs/dbraw/zinc/92/43/45/355924345.db2.gz QPWMIRMHPXCPKI-WYUUTHIRSA-N 2 0 286.420 -0.104 20 0 CBADRP C[NH+](C)Cc1ccc(C(=O)N[C@H](CO)C[NH+](C)C)cn1 ZINC000614846703 355989440 /nfs/dbraw/zinc/98/94/40/355989440.db2.gz HXULLFQISRAESL-ZDUSSCGKSA-N 2 0 280.372 -0.205 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC(C[NH+](C)C)C2)CC1=O ZINC000615510395 356037002 /nfs/dbraw/zinc/03/70/02/356037002.db2.gz HVOGVQVIMHUQEV-CYBMUJFWSA-N 2 0 296.415 -0.584 20 0 CBADRP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000618194270 356179303 /nfs/dbraw/zinc/17/93/03/356179303.db2.gz XOCHZKUPHUPTGD-CYBMUJFWSA-N 2 0 296.415 -0.584 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000618305866 356185701 /nfs/dbraw/zinc/18/57/01/356185701.db2.gz KGGNGEORBXYYHT-GFCCVEGCSA-N 2 0 284.404 -0.441 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621698686 356281000 /nfs/dbraw/zinc/28/10/00/356281000.db2.gz CTUQWKXASNDDIG-JKOKRWQUSA-N 2 0 282.388 -0.574 20 0 CBADRP O=C(CC[C@@H]1CCC[NH2+]C1)NCC(=O)N1CC[NH2+]CC1 ZINC000621621037 356278306 /nfs/dbraw/zinc/27/83/06/356278306.db2.gz PPUOCTURBQEBPG-LBPRGKRZSA-N 2 0 282.388 -0.686 20 0 CBADRP O=C(CC[C@H]1CCC[NH2+]C1)NC[C@H]1C[NH2+]CCO1 ZINC000621665119 356279601 /nfs/dbraw/zinc/27/96/01/356279601.db2.gz QVQRBGAZXBMAIW-VXGBXAGGSA-N 2 0 255.362 -0.129 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000620478633 356244690 /nfs/dbraw/zinc/24/46/90/356244690.db2.gz ZRTXEJCCZGZDBF-OCCSQVGLSA-N 2 0 281.400 -0.004 20 0 CBADRP COC[C@]1(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]C1 ZINC000621683077 356280775 /nfs/dbraw/zinc/28/07/75/356280775.db2.gz PKKMRUIKPSDMFT-FPMFFAJLSA-N 2 0 267.373 -0.048 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622025278 356300657 /nfs/dbraw/zinc/30/06/57/356300657.db2.gz NUSWKLGVTCTMLC-RISCZKNCSA-N 2 0 282.388 -0.654 20 0 CBADRP CC[C@H](C(=O)NCC[NH+]1CCC(O)CC1)[NH+](C)C ZINC000622659048 356334779 /nfs/dbraw/zinc/33/47/79/356334779.db2.gz SCBZDJMTACLNSH-GFCCVEGCSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)[C@H]1CCCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000624157999 356400035 /nfs/dbraw/zinc/40/00/35/356400035.db2.gz JCNZAPQFAMOOGE-QMMMGPOBSA-N 2 0 251.338 -0.383 20 0 CBADRP Nc1nc(NCCC[N@@H+]2CCc3ccccc3C2)nc(N)[nH+]1 ZINC000623847046 356378904 /nfs/dbraw/zinc/37/89/04/356378904.db2.gz CJZAEFBBRBHNTB-UHFFFAOYSA-N 2 0 299.382 -0.021 20 0 CBADRP Nc1nc(N2CCC(C[NH+]3CCOCC3)CC2)nc(N)[nH+]1 ZINC000623866224 356380397 /nfs/dbraw/zinc/38/03/97/356380397.db2.gz OZMPTTGWBDBYLD-UHFFFAOYSA-N 2 0 293.375 -0.755 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)c2nc(N)[nH+]c(N)n2)[C@@H](C)C1 ZINC000623991416 356386844 /nfs/dbraw/zinc/38/68/44/356386844.db2.gz HCAOEBNALRBSSK-IUCAKERBSA-N 2 0 265.365 -0.137 20 0 CBADRP C[N@@H+]1C[C@@H](CNc2nc(N)[nH+]c(N)n2)[C@H](c2ccccc2)C1 ZINC000624331339 356412435 /nfs/dbraw/zinc/41/24/35/356412435.db2.gz WYFNNBBKNNXPKO-NEPJUHHUSA-N 2 0 299.382 -0.124 20 0 CBADRP Cc1c(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cnn1C ZINC000624370028 356415005 /nfs/dbraw/zinc/41/50/05/356415005.db2.gz ZVCCJGZZFBDKNE-UHFFFAOYSA-N 2 0 289.405 -0.583 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000624384299 356415559 /nfs/dbraw/zinc/41/55/59/356415559.db2.gz MPMUYGXNIFRUCB-QMMMGPOBSA-N 2 0 265.365 -0.349 20 0 CBADRP Nc1nc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)nc(N)[nH+]1 ZINC000624399491 356418343 /nfs/dbraw/zinc/41/83/43/356418343.db2.gz NPTPPJGHRCOIKL-VIFPVBQESA-N 2 0 277.376 -0.062 20 0 CBADRP Nc1nc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)nc(N)[nH+]1 ZINC000624492295 356423559 /nfs/dbraw/zinc/42/35/59/356423559.db2.gz HAGXJZKXCNSKEX-JTQLQIEISA-N 2 0 277.376 -0.062 20 0 CBADRP CN(c1nc(N)[nH+]c(N)n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000624213428 356405148 /nfs/dbraw/zinc/40/51/48/356405148.db2.gz CMASECIEJKGFDS-JVHMLUBASA-N 2 0 263.349 -0.242 20 0 CBADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1nc(N)[nH+]c(N)n1 ZINC000624212695 356405449 /nfs/dbraw/zinc/40/54/49/356405449.db2.gz STMPRKRKZDEFDX-IUCAKERBSA-N 2 0 263.349 -0.240 20 0 CBADRP CC[C@@H](C)[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000624259046 356408795 /nfs/dbraw/zinc/40/87/95/356408795.db2.gz ANOJBQRYWBONNP-MRVPVSSYSA-N 2 0 251.338 -0.383 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)NCCOCCC[NH3+])cn1 ZINC000625865660 356495974 /nfs/dbraw/zinc/49/59/74/356495974.db2.gz XORDAUOKEUKKKP-UHFFFAOYSA-N 2 0 298.391 -0.068 20 0 CBADRP C[C@H](CNC(=O)NC[C@H]1COCC[NH2+]1)[N@H+](C)C1CC1 ZINC000626969969 356560619 /nfs/dbraw/zinc/56/06/19/356560619.db2.gz IVJHFZLNNFHFRM-MNOVXSKESA-N 2 0 270.377 -0.243 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626965694 356560827 /nfs/dbraw/zinc/56/08/27/356560827.db2.gz KVBJIGKCFFOZPI-UHFFFAOYSA-N 2 0 288.392 -0.628 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000626975149 356561469 /nfs/dbraw/zinc/56/14/69/356561469.db2.gz QPRXUEJIBIJCPF-RWMBFGLXSA-N 2 0 283.420 -0.328 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000626974092 356561898 /nfs/dbraw/zinc/56/18/98/356561898.db2.gz DBHXKNCKVBZAQL-SDDRHHMPSA-N 2 0 269.393 -0.718 20 0 CBADRP CCN(CC[NH3+])C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000626972621 356562095 /nfs/dbraw/zinc/56/20/95/356562095.db2.gz MDPRAQKVUBYAFR-GFCCVEGCSA-N 2 0 271.409 -0.388 20 0 CBADRP C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H]1CN(C)CCO1 ZINC000627003977 356565622 /nfs/dbraw/zinc/56/56/22/356565622.db2.gz XRQNKJCIZCXPAK-IRCOFANPSA-N 2 0 270.377 -0.245 20 0 CBADRP C[C@H](NC(=O)NCCOCCC[NH3+])[C@@H]1CN(C)CCO1 ZINC000627004083 356565967 /nfs/dbraw/zinc/56/59/67/356565967.db2.gz ZNUSOCFIZSVNNJ-RYUDHWBXSA-N 2 0 288.392 -0.630 20 0 CBADRP CN1CCOC[C@@H]1CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000627065764 356571584 /nfs/dbraw/zinc/57/15/84/356571584.db2.gz JZTWYPRQGIXVJY-RYUDHWBXSA-N 2 0 270.377 -0.242 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000627066714 356572283 /nfs/dbraw/zinc/57/22/83/356572283.db2.gz WVBPADOQWZHYHP-LLVKDONJSA-N 2 0 258.366 -0.255 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000627069693 356572341 /nfs/dbraw/zinc/57/23/41/356572341.db2.gz QXVBTQNMVLFXPZ-RYUDHWBXSA-N 2 0 272.393 -0.090 20 0 CBADRP [NH3+]CC1(NC(=O)NC[C@H]2CCCC[NH2+]2)CCOCC1 ZINC000627066296 356572542 /nfs/dbraw/zinc/57/25/42/356572542.db2.gz RHAUHOCNVNFRRT-LLVKDONJSA-N 2 0 270.377 -0.064 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCCOCCC[NH3+])C1 ZINC000626982611 356563183 /nfs/dbraw/zinc/56/31/83/356563183.db2.gz NGCSDMCVRBJHNA-GFCCVEGCSA-N 2 0 288.392 -0.628 20 0 CBADRP [NH3+]C1(CNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CCOCC1 ZINC000627147465 356588484 /nfs/dbraw/zinc/58/84/84/356588484.db2.gz ICAYULWCSAYUAC-VXGBXAGGSA-N 2 0 282.388 -0.112 20 0 CBADRP [NH3+]C1(CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCOCC1 ZINC000627147513 356588518 /nfs/dbraw/zinc/58/85/18/356588518.db2.gz KCBOATVXVHAHLB-CYBMUJFWSA-N 2 0 282.388 -0.111 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627157114 356590289 /nfs/dbraw/zinc/59/02/89/356590289.db2.gz OCYHVHHOUPKJMH-GRYCIOLGSA-N 2 0 270.377 -0.507 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000627159431 356590934 /nfs/dbraw/zinc/59/09/34/356590934.db2.gz QNAHJXLAVNXWBC-GARJFASQSA-N 2 0 256.350 -0.504 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000627157969 356591021 /nfs/dbraw/zinc/59/10/21/356591021.db2.gz GAUKBMBFNOQHCQ-QNWHQSFQSA-N 2 0 282.388 -0.413 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000627170941 356592175 /nfs/dbraw/zinc/59/21/75/356592175.db2.gz LVWGHJACXAWKIZ-GFCCVEGCSA-N 2 0 272.393 -0.007 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627170015 356592431 /nfs/dbraw/zinc/59/24/31/356592431.db2.gz ZBDGINXVHZAPRN-OKILXGFUSA-N 2 0 284.404 -0.137 20 0 CBADRP C[NH2+]CCOCCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000627171242 356592944 /nfs/dbraw/zinc/59/29/44/356592944.db2.gz SEMZVVQNWHAHKA-GFCCVEGCSA-N 2 0 270.377 -0.242 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000627171594 356593213 /nfs/dbraw/zinc/59/32/13/356593213.db2.gz DENWPTZXVWKUGE-LLVKDONJSA-N 2 0 258.366 -0.255 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000627172009 356593399 /nfs/dbraw/zinc/59/33/99/356593399.db2.gz PJUZPJBXEHOAFO-TXEJJXNPSA-N 2 0 272.393 -0.044 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000627171465 356593427 /nfs/dbraw/zinc/59/34/27/356593427.db2.gz XGDTVJXSJAMITJ-NSHDSACASA-N 2 0 258.366 -0.384 20 0 CBADRP [NH3+]CCCOCCNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000627073316 356573663 /nfs/dbraw/zinc/57/36/63/356573663.db2.gz MOFQRJRRLJNZOE-LLVKDONJSA-N 2 0 258.366 -0.349 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@H]1CCC[NH2+]C1 ZINC000627075870 356574342 /nfs/dbraw/zinc/57/43/42/356574342.db2.gz PHHBAIWFTXMBEA-WDEREUQCSA-N 2 0 256.350 -0.896 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000627077241 356575010 /nfs/dbraw/zinc/57/50/10/356575010.db2.gz XWBPMZADHDOKAM-LLVKDONJSA-N 2 0 260.382 -0.153 20 0 CBADRP [NH3+]C1CCC(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000627077082 356575643 /nfs/dbraw/zinc/57/56/43/356575643.db2.gz RUKGKDYGCWDGMJ-MCIGGMRASA-N 2 0 270.377 -0.378 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627079693 356576100 /nfs/dbraw/zinc/57/61/00/356576100.db2.gz DSFZEUVCRLYVFP-MNOVXSKESA-N 2 0 258.366 -0.353 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627079695 356576374 /nfs/dbraw/zinc/57/63/74/356576374.db2.gz DSFZEUVCRLYVFP-WDEREUQCSA-N 2 0 258.366 -0.353 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627079922 356576427 /nfs/dbraw/zinc/57/64/27/356576427.db2.gz XXWMQRMDIMYZPC-XQQFMLRXSA-N 2 0 284.404 -0.130 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627079692 356576806 /nfs/dbraw/zinc/57/68/06/356576806.db2.gz DSFZEUVCRLYVFP-GHMZBOCLSA-N 2 0 258.366 -0.353 20 0 CBADRP [NH3+]C[C@H](NC(=O)NCC[N@@H+]1CC[C@H](O)C1)C1CC1 ZINC000627079836 356576825 /nfs/dbraw/zinc/57/68/25/356576825.db2.gz XPZNKERJXMOYPK-QWRGUYRKSA-N 2 0 256.350 -0.911 20 0 CBADRP CCC[NH2+]CCNC(=O)NCC1([NH3+])CCOCC1 ZINC000627081080 356577231 /nfs/dbraw/zinc/57/72/31/356577231.db2.gz KFGKFELQSNITOW-UHFFFAOYSA-N 2 0 258.366 -0.207 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000627080577 356577384 /nfs/dbraw/zinc/57/73/84/356577384.db2.gz LDPPLVWWLMWXDM-NSHDSACASA-N 2 0 260.382 -0.105 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)N(C)CCOCC[NH3+] ZINC000627080645 356577732 /nfs/dbraw/zinc/57/77/32/356577732.db2.gz NEKCXTJPUJWNTD-NSHDSACASA-N 2 0 260.382 -0.024 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NCC1=CC[NH2+]CC1 ZINC000627084346 356578304 /nfs/dbraw/zinc/57/83/04/356578304.db2.gz HJJQALMNTSAEFG-GFCCVEGCSA-N 2 0 268.361 -0.728 20 0 CBADRP [NH3+]C1(CNC(=O)NCC2([NH3+])CCOCC2)CCC1 ZINC000627083815 356578313 /nfs/dbraw/zinc/57/83/13/356578313.db2.gz LLUFFNSTPZCXQZ-UHFFFAOYSA-N 2 0 256.350 -0.325 20 0 CBADRP C[C@]1(CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CCC[NH2+]C1 ZINC000627084095 356578349 /nfs/dbraw/zinc/57/83/49/356578349.db2.gz OFRQPXKLVOSCRB-OCCSQVGLSA-N 2 0 284.404 -0.258 20 0 CBADRP C[NH2+]CCOCCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000627084282 356578389 /nfs/dbraw/zinc/57/83/89/356578389.db2.gz RIJRABMDRPVXPP-ZDUSSCGKSA-N 2 0 272.393 -0.089 20 0 CBADRP [NH3+]CC1(NC(=O)NC[C@H]([NH3+])C2CC2)CCOCC1 ZINC000627082607 356578471 /nfs/dbraw/zinc/57/84/71/356578471.db2.gz IVCQHMQGERYTEG-JTQLQIEISA-N 2 0 256.350 -0.469 20 0 CBADRP C[C@]1(CNC(=O)NC[C@@H]2COCC[NH2+]2)CCC[NH2+]C1 ZINC000627085825 356578874 /nfs/dbraw/zinc/57/88/74/356578874.db2.gz XCJFVTCDFGSLRV-YPMHNXCESA-N 2 0 270.377 -0.336 20 0 CBADRP [NH3+]CCCOCCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000627087372 356579606 /nfs/dbraw/zinc/57/96/06/356579606.db2.gz JAYDEEWKWXHLAF-MNOVXSKESA-N 2 0 258.366 -0.079 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000627087423 356579737 /nfs/dbraw/zinc/57/97/37/356579737.db2.gz JMKHLAFQSNDUKZ-UTUOFQBUSA-N 2 0 270.377 -0.378 20 0 CBADRP [NH3+]CCCOCCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000627087371 356580185 /nfs/dbraw/zinc/58/01/85/356580185.db2.gz JAYDEEWKWXHLAF-GHMZBOCLSA-N 2 0 258.366 -0.079 20 0 CBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCOCCC[NH3+] ZINC000627088348 356580547 /nfs/dbraw/zinc/58/05/47/356580547.db2.gz PZMGIRXTXAABQP-QWRGUYRKSA-N 2 0 258.366 -0.351 20 0 CBADRP [NH3+]CCCOCCNC(=O)NCCC1=CC[NH2+]CC1 ZINC000627089618 356580605 /nfs/dbraw/zinc/58/06/05/356580605.db2.gz LEQCYLXXNGNTQL-UHFFFAOYSA-N 2 0 270.377 -0.039 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000627088662 356580611 /nfs/dbraw/zinc/58/06/11/356580611.db2.gz RKXWOFHKAWXOLW-NEPJUHHUSA-N 2 0 272.393 -0.138 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000627089721 356581509 /nfs/dbraw/zinc/58/15/09/356581509.db2.gz YYIOJXJNTFPFOO-MNOVXSKESA-N 2 0 258.366 -0.209 20 0 CBADRP COC[C@]1(CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)CCC[NH2+]1 ZINC000627092493 356581602 /nfs/dbraw/zinc/58/16/02/356581602.db2.gz SZXCEGOFEKUHFK-DMDPSCGWSA-N 2 0 270.377 -0.195 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000627089723 356581676 /nfs/dbraw/zinc/58/16/76/356581676.db2.gz YYIOJXJNTFPFOO-WDEREUQCSA-N 2 0 258.366 -0.209 20 0 CBADRP C[NH2+]CCOCCNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000627091941 356581701 /nfs/dbraw/zinc/58/17/01/356581701.db2.gz FPHAQFQOENJCGF-ZDUSSCGKSA-N 2 0 288.392 -0.710 20 0 CBADRP C[C@@H](CCC[NH3+])NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627096639 356582867 /nfs/dbraw/zinc/58/28/67/356582867.db2.gz XPWMIVYSSOCIIG-WDEREUQCSA-N 2 0 258.366 -0.520 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000627098301 356582937 /nfs/dbraw/zinc/58/29/37/356582937.db2.gz SBRZOFRMPOIRGH-MRVPVSSYSA-N 2 0 268.308 -0.496 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCCO2)C[NH2+]1 ZINC000627103171 356583268 /nfs/dbraw/zinc/58/32/68/356583268.db2.gz NKHPPYXNZIMIMB-WOPDTQHZSA-N 2 0 270.377 -0.195 20 0 CBADRP [NH3+]CCCOCCNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000627103433 356583461 /nfs/dbraw/zinc/58/34/61/356583461.db2.gz RYMDASGDVXWOOA-NSHDSACASA-N 2 0 274.365 -0.971 20 0 CBADRP [NH3+]CCCOCCNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000627102191 356583761 /nfs/dbraw/zinc/58/37/61/356583761.db2.gz IXXSBBGZSAPLKF-MNOVXSKESA-N 2 0 258.366 -0.222 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000627103945 356583814 /nfs/dbraw/zinc/58/38/14/356583814.db2.gz XWZKPBWHVCBKOJ-WOPDTQHZSA-N 2 0 270.377 -0.520 20 0 CBADRP [NH3+]CCCOCCNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000627102190 356583832 /nfs/dbraw/zinc/58/38/32/356583832.db2.gz IXXSBBGZSAPLKF-GHMZBOCLSA-N 2 0 258.366 -0.222 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000627108413 356584170 /nfs/dbraw/zinc/58/41/70/356584170.db2.gz UENCWWLVQMKKOU-QWRGUYRKSA-N 2 0 260.382 -0.010 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC1([NH3+])CCOCC1 ZINC000627105445 356584231 /nfs/dbraw/zinc/58/42/31/356584231.db2.gz ACHFKUXOBXCJMZ-UWVGGRQHSA-N 2 0 258.366 -0.081 20 0 CBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC1([NH3+])CCOCC1 ZINC000627105447 356584862 /nfs/dbraw/zinc/58/48/62/356584862.db2.gz ACHFKUXOBXCJMZ-ZJUUUORDSA-N 2 0 258.366 -0.081 20 0 CBADRP [NH3+]CC1(CCNC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000627109847 356585280 /nfs/dbraw/zinc/58/52/80/356585280.db2.gz OPMGDEHUNACTFI-NSHDSACASA-N 2 0 270.377 -0.519 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)NCC12CC(C1)C[NH2+]2 ZINC000627115618 356585855 /nfs/dbraw/zinc/58/58/55/356585855.db2.gz CMFYWUSSPOYWGR-YZRBJQDESA-N 2 0 254.334 -0.974 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627126780 356586850 /nfs/dbraw/zinc/58/68/50/356586850.db2.gz LJCHVUCHVAUURL-GHMZBOCLSA-N 2 0 268.361 -0.441 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000627135063 356587620 /nfs/dbraw/zinc/58/76/20/356587620.db2.gz MJIROZUILFDCIQ-VXGBXAGGSA-N 2 0 270.377 -0.160 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000627134870 356587669 /nfs/dbraw/zinc/58/76/69/356587669.db2.gz FHCTWZZUVXLIQV-MNOVXSKESA-N 2 0 256.350 -0.550 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627219265 356607972 /nfs/dbraw/zinc/60/79/72/356607972.db2.gz UEIYTIAUXSVPTE-GFCCVEGCSA-N 2 0 258.366 -0.268 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000627219160 356607987 /nfs/dbraw/zinc/60/79/87/356607987.db2.gz QWFARFWPOXGWIO-UHFFFAOYSA-N 2 0 256.350 -0.516 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627218867 356608004 /nfs/dbraw/zinc/60/80/04/356608004.db2.gz JTQSFJUTTAJEII-NSHDSACASA-N 2 0 258.366 -0.255 20 0 CBADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCCOCCC[NH3+] ZINC000627218678 356608107 /nfs/dbraw/zinc/60/81/07/356608107.db2.gz CIGPPNFMSIUWOJ-WDEREUQCSA-N 2 0 258.366 -0.270 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000627218875 356608240 /nfs/dbraw/zinc/60/82/40/356608240.db2.gz JVYNEKNPCGOUAG-VXGBXAGGSA-N 2 0 270.377 -0.255 20 0 CBADRP CC1(C)CN(C(=O)NCCOCCC[NH3+])CC[NH2+]1 ZINC000627219169 356608259 /nfs/dbraw/zinc/60/82/59/356608259.db2.gz REEHIDMSHZOZHB-UHFFFAOYSA-N 2 0 258.366 -0.255 20 0 CBADRP C[NH+](C)CC(C)(C)NC(=O)NCCOCCC[NH3+] ZINC000627219090 356608413 /nfs/dbraw/zinc/60/84/13/356608413.db2.gz PFMARRJYAFCNHS-UHFFFAOYSA-N 2 0 260.382 -0.009 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000627226037 356609665 /nfs/dbraw/zinc/60/96/65/356609665.db2.gz FHCTWZZUVXLIQV-WDEREUQCSA-N 2 0 256.350 -0.550 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000627226510 356609828 /nfs/dbraw/zinc/60/98/28/356609828.db2.gz MJIROZUILFDCIQ-RYUDHWBXSA-N 2 0 270.377 -0.160 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000627240676 356609985 /nfs/dbraw/zinc/60/99/85/356609985.db2.gz VIDIJACAQACUQT-WDEREUQCSA-N 2 0 297.403 -0.672 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000627246140 356611396 /nfs/dbraw/zinc/61/13/96/356611396.db2.gz WTOTWJRBTIPMQC-GARJFASQSA-N 2 0 256.350 -0.504 20 0 CBADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627249289 356612255 /nfs/dbraw/zinc/61/22/55/356612255.db2.gz BRWSPFBIQCTBBB-GFCCVEGCSA-N 2 0 284.404 -0.117 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000627248427 356612282 /nfs/dbraw/zinc/61/22/82/356612282.db2.gz GUFDGSSMRSPWOG-KGLIPLIRSA-N 2 0 295.431 -0.230 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627248774 356612351 /nfs/dbraw/zinc/61/23/51/356612351.db2.gz AYOJJKZIKSGDIJ-GFCCVEGCSA-N 3 0 271.409 -0.517 20 0 CBADRP COC1CC[NH+](CCNC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627249640 356612774 /nfs/dbraw/zinc/61/27/74/356612774.db2.gz WAKXKZGVKBCWSJ-LLVKDONJSA-N 2 0 270.377 -0.242 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627253042 356614748 /nfs/dbraw/zinc/61/47/48/356614748.db2.gz OFOPZCGNQUNBSV-LLVKDONJSA-N 2 0 285.392 -0.990 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627188936 356599889 /nfs/dbraw/zinc/59/98/89/356599889.db2.gz ZXYFMXIYFGBCST-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627190241 356601400 /nfs/dbraw/zinc/60/14/00/356601400.db2.gz AZMXQCILILCSBK-JTQLQIEISA-N 2 0 258.366 -0.399 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627191343 356602066 /nfs/dbraw/zinc/60/20/66/356602066.db2.gz PEZKUWACWGSERZ-YZRBJQDESA-N 2 0 254.334 -0.893 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CCO1 ZINC000627207768 356605160 /nfs/dbraw/zinc/60/51/60/356605160.db2.gz TZIUYGIDSJJFSL-WYUUTHIRSA-N 2 0 270.377 -0.116 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C[NH2+]1 ZINC000627208023 356605361 /nfs/dbraw/zinc/60/53/61/356605361.db2.gz VOSVOXPMYLJOAW-WOPDTQHZSA-N 2 0 269.393 -0.589 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)N2CCCO[C@@H](C[NH3+])C2)C[NH2+]1 ZINC000627210795 356605849 /nfs/dbraw/zinc/60/58/49/356605849.db2.gz VOQXDINXYRYJLF-WOPDTQHZSA-N 2 0 270.377 -0.114 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[NH2+]1 ZINC000627210902 356605999 /nfs/dbraw/zinc/60/59/99/356605999.db2.gz XNEXIRVCYPSOJE-MROQNXINSA-N 2 0 282.388 -0.413 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000627349491 356630355 /nfs/dbraw/zinc/63/03/55/356630355.db2.gz PLRCRSVTTIZWNH-MNOVXSKESA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C[N@@H+]1C1CC1 ZINC000627349794 356630648 /nfs/dbraw/zinc/63/06/48/356630648.db2.gz ZJHDILZHZVKPIS-MPPDQPJWSA-N 2 0 294.399 -0.406 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000627349573 356631056 /nfs/dbraw/zinc/63/10/56/356631056.db2.gz SCPYJLAAXYTQPN-PWSUYJOCSA-N 2 0 282.388 -0.608 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000627358039 356631493 /nfs/dbraw/zinc/63/14/93/356631493.db2.gz YSLOOLVJWUSISH-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627372144 356635148 /nfs/dbraw/zinc/63/51/48/356635148.db2.gz CZZPURQYMBXDSM-YNEHKIRRSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)C[NH2+]1 ZINC000627291585 356620968 /nfs/dbraw/zinc/62/09/68/356620968.db2.gz YCGXDJQTTCFBHU-CMPLNLGQSA-N 2 0 282.388 -0.547 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000627377636 356635329 /nfs/dbraw/zinc/63/53/29/356635329.db2.gz OQVASCBYHYFZJB-CYBMUJFWSA-N 2 0 294.399 -0.545 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)C[NH2+]1 ZINC000627304762 356622496 /nfs/dbraw/zinc/62/24/96/356622496.db2.gz DZEJIAVPZJILGW-NDBYEHHHSA-N 2 0 296.415 -0.158 20 0 CBADRP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627302338 356622831 /nfs/dbraw/zinc/62/28/31/356622831.db2.gz IREXKVFIBXRARI-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000627305299 356623099 /nfs/dbraw/zinc/62/30/99/356623099.db2.gz UGXYBTPQFNTOJY-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000627305248 356623117 /nfs/dbraw/zinc/62/31/17/356623117.db2.gz RYLVCCKWHKDCNM-NNYUYHANSA-N 2 0 282.388 -0.548 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000627305247 356623495 /nfs/dbraw/zinc/62/34/95/356623495.db2.gz RYLVCCKWHKDCNM-FIQHERPVSA-N 2 0 282.388 -0.548 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000627309487 356624257 /nfs/dbraw/zinc/62/42/57/356624257.db2.gz SDCNJKRHJRREGU-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000627309564 356624321 /nfs/dbraw/zinc/62/43/21/356624321.db2.gz UWIWHSGHGJLRFT-UHFFFAOYSA-N 2 0 284.404 -0.214 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000627325600 356626497 /nfs/dbraw/zinc/62/64/97/356626497.db2.gz OQINUOZYFMMHMR-GRYCIOLGSA-N 2 0 284.404 -0.301 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NCCC[N@H+](C)CC(C)C ZINC000627423446 356643732 /nfs/dbraw/zinc/64/37/32/356643732.db2.gz NSMZCOBQAFJUND-UHFFFAOYSA-N 2 0 286.420 -0.112 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627429002 356645537 /nfs/dbraw/zinc/64/55/37/356645537.db2.gz USFAKOWCTADMQI-QJPTWQEYSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000627457249 356649193 /nfs/dbraw/zinc/64/91/93/356649193.db2.gz PAGUQKBOGWHRTA-RWMBFGLXSA-N 2 0 296.415 -0.204 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000627395229 356638317 /nfs/dbraw/zinc/63/83/17/356638317.db2.gz DRBJXQUCJMCRQR-LLVKDONJSA-N 2 0 272.393 -0.360 20 0 CBADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627505052 356660405 /nfs/dbraw/zinc/66/04/05/356660405.db2.gz UBLNXDRFEPPEFZ-DGCLKSJQSA-N 2 0 296.415 -0.347 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627506979 356661700 /nfs/dbraw/zinc/66/17/00/356661700.db2.gz UOMKXYSAZLFTIG-SNVBAGLBSA-N 2 0 268.361 -0.983 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)C[NH2+]1 ZINC000627476711 356653391 /nfs/dbraw/zinc/65/33/91/356653391.db2.gz JYVNWWKDGXMRCF-VXGBXAGGSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)C[NH2+]1 ZINC000627477065 356653448 /nfs/dbraw/zinc/65/34/48/356653448.db2.gz QOBQURFBEUCBMM-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627484268 356655577 /nfs/dbraw/zinc/65/55/77/356655577.db2.gz VELBKBBGLCUGSA-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627498110 356657391 /nfs/dbraw/zinc/65/73/91/356657391.db2.gz IXURXYTUFGCIFR-RWMBFGLXSA-N 2 0 296.415 -0.206 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627501219 356657962 /nfs/dbraw/zinc/65/79/62/356657962.db2.gz BAIRRUULSYHYNV-YNEHKIRRSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000627499248 356658007 /nfs/dbraw/zinc/65/80/07/356658007.db2.gz DUDSENBYVZSCMG-WUHRBBMRSA-N 2 0 294.399 -0.594 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000627499247 356658041 /nfs/dbraw/zinc/65/80/41/356658041.db2.gz DUDSENBYVZSCMG-UMSGYPCISA-N 2 0 294.399 -0.594 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627500749 356658213 /nfs/dbraw/zinc/65/82/13/356658213.db2.gz LFQOSBBMXJSNJJ-NWDGAFQWSA-N 2 0 284.404 -0.348 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627502318 356659089 /nfs/dbraw/zinc/65/90/89/356659089.db2.gz RVNKXWNWFRWRIJ-YNEHKIRRSA-N 2 0 296.415 -0.347 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000627503877 356659720 /nfs/dbraw/zinc/65/97/20/356659720.db2.gz HICQLBWHNLMLKO-OLZOCXBDSA-N 2 0 294.399 -0.449 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000627504685 356659979 /nfs/dbraw/zinc/65/99/79/356659979.db2.gz BERGDUCHXMNPJL-NEPJUHHUSA-N 2 0 280.372 -0.839 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627504125 356660116 /nfs/dbraw/zinc/66/01/16/356660116.db2.gz WTZBHCZQZJRXMY-JHJVBQTASA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419026313 295933055 /nfs/dbraw/zinc/93/30/55/295933055.db2.gz NKSVOAXCQLZYFJ-UPJWGTAASA-N 2 0 298.431 -0.114 20 0 CBADRP CCN(CC[NH3+])CC(=O)NC1CC[NH+](CC)CC1 ZINC000629556695 356779978 /nfs/dbraw/zinc/77/99/78/356779978.db2.gz OKKAFDLACLPVGV-UHFFFAOYSA-N 2 0 256.394 -0.133 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000629572543 356780375 /nfs/dbraw/zinc/78/03/75/356780375.db2.gz WMWOJJIQFUZZJF-ZDUSSCGKSA-N 2 0 259.394 -0.125 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)CCC(=O)N1CCOCC1 ZINC000629571207 356780972 /nfs/dbraw/zinc/78/09/72/356780972.db2.gz JCCLAFWTXDDVJZ-UHFFFAOYSA-N 2 0 273.377 -0.597 20 0 CBADRP CC(C)(C)CNC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000629510699 356775124 /nfs/dbraw/zinc/77/51/24/356775124.db2.gz DUMCFFCQAIXZEA-LBPRGKRZSA-N 2 0 298.431 -0.064 20 0 CBADRP Nc1ncccc1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000629513740 356776058 /nfs/dbraw/zinc/77/60/58/356776058.db2.gz VCHWAPDSQGEWKQ-LBPRGKRZSA-N 2 0 277.372 -0.049 20 0 CBADRP C[N@H+](C[C@H](O)CNCC[NH+]1CC[C@H](O)C1)C1CC1 ZINC000629618011 356788219 /nfs/dbraw/zinc/78/82/19/356788219.db2.gz RWEAJSWVRXJDID-QWHCGFSZSA-N 2 0 257.378 -0.902 20 0 CBADRP CCOC[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000629656289 356788655 /nfs/dbraw/zinc/78/86/55/356788655.db2.gz PCJBBXBJILUMHK-KGLIPLIRSA-N 2 0 299.415 -0.079 20 0 CBADRP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)CN1 ZINC000629660333 356788763 /nfs/dbraw/zinc/78/87/63/356788763.db2.gz RWEATNOJVIGUJN-FRRDWIJNSA-N 2 0 268.405 -0.086 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000629653100 356789113 /nfs/dbraw/zinc/78/91/13/356789113.db2.gz NBKFQMJAETVFQE-SCZZXKLOSA-N 2 0 251.334 -0.272 20 0 CBADRP COC[C@@]1(C)C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000629673797 356789265 /nfs/dbraw/zinc/78/92/65/356789265.db2.gz IDOCZVHENYBSCU-UKRRQHHQSA-N 2 0 299.415 -0.079 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000629787786 356792534 /nfs/dbraw/zinc/79/25/34/356792534.db2.gz LCUNILTZRGANHG-GFCCVEGCSA-N 2 0 284.404 -0.264 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000629793349 356793369 /nfs/dbraw/zinc/79/33/69/356793369.db2.gz GOLIUWVKTAQUEU-LBPRGKRZSA-N 2 0 298.431 -0.018 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000629796416 356794214 /nfs/dbraw/zinc/79/42/14/356794214.db2.gz JMEXRPZOTHTHEM-UHFFFAOYSA-N 2 0 284.404 -0.262 20 0 CBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CC)CC[NH3+])C1 ZINC000629800659 356795575 /nfs/dbraw/zinc/79/55/75/356795575.db2.gz XZJGGCBCWXFZSD-ZDUSSCGKSA-N 2 0 298.431 -0.016 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000629799843 356795683 /nfs/dbraw/zinc/79/56/83/356795683.db2.gz VHRZDQZDJMXXPI-CYBMUJFWSA-N 2 0 296.415 -0.262 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000629801885 356796559 /nfs/dbraw/zinc/79/65/59/356796559.db2.gz DAXXVQFKUNMTSS-RYUDHWBXSA-N 2 0 282.388 -0.654 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000629810475 356797104 /nfs/dbraw/zinc/79/71/04/356797104.db2.gz ZMLCLDMRSCKSRF-LLVKDONJSA-N 2 0 270.377 -0.654 20 0 CBADRP CC(C)(C(=O)NCC[N@@H+]1CC[C@H](O)C1)c1c[nH]cn1 ZINC000629916985 356808249 /nfs/dbraw/zinc/80/82/49/356808249.db2.gz ZUEUTHHPYACSLL-JTQLQIEISA-N 2 0 266.345 -0.130 20 0 CBADRP C[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000629948212 356811909 /nfs/dbraw/zinc/81/19/09/356811909.db2.gz TWPSUVGCQKQMMK-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H](O)CN1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000629958300 356812149 /nfs/dbraw/zinc/81/21/49/356812149.db2.gz LHJLECOEZPYGJK-LBPRGKRZSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@]1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CCC(=O)N1 ZINC000629579500 356782696 /nfs/dbraw/zinc/78/26/96/356782696.db2.gz DWHBZQHRMNUUEQ-WCQYABFASA-N 2 0 255.362 -0.299 20 0 CBADRP C[N@H+](CCOCC[NH3+])CCc1nnn(C(C)(C)C)n1 ZINC000629581194 356782738 /nfs/dbraw/zinc/78/27/38/356782738.db2.gz QYEKIOAAJAYZIX-UHFFFAOYSA-N 2 0 270.381 -0.122 20 0 CBADRP CN1CCN(C(=O)CC[N@H+](C)CCOCC[NH3+])CC1 ZINC000629581296 356783131 /nfs/dbraw/zinc/78/31/31/356783131.db2.gz VBJNMNCTOHLYAW-UHFFFAOYSA-N 2 0 272.393 -0.942 20 0 CBADRP NC(=O)C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000629583893 356783622 /nfs/dbraw/zinc/78/36/22/356783622.db2.gz KFJVETSHLMRZTP-NWDGAFQWSA-N 2 0 255.362 -0.048 20 0 CBADRP OCCC[N@@H+]1CCC[C@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000629583881 356783680 /nfs/dbraw/zinc/78/36/80/356783680.db2.gz JWDBIXKBPHEVSM-LSDHHAIUSA-N 2 0 285.432 -0.121 20 0 CBADRP O[C@H](CNC[C@H](O)C[NH+]1CCCCC1)C[NH+]1CCCC1 ZINC000629582673 356783771 /nfs/dbraw/zinc/78/37/71/356783771.db2.gz HEVKTVHBCMOTAJ-LSDHHAIUSA-N 2 0 285.432 -0.121 20 0 CBADRP NC(=O)C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000629584462 356783789 /nfs/dbraw/zinc/78/37/89/356783789.db2.gz VCKULBJHMRVJIR-LBPRGKRZSA-N 2 0 255.362 -0.048 20 0 CBADRP OCCC[N@@H+]1CCC[C@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000629584410 356783890 /nfs/dbraw/zinc/78/38/90/356783890.db2.gz QJERRWPHOFJNQC-GJZGRUSLSA-N 2 0 285.432 -0.121 20 0 CBADRP OCCC[N@@H+]1CCC[C@@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629584411 356784288 /nfs/dbraw/zinc/78/42/88/356784288.db2.gz QJERRWPHOFJNQC-HUUCEWRRSA-N 2 0 285.432 -0.121 20 0 CBADRP COC[C@@]1(C)C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000629595027 356785193 /nfs/dbraw/zinc/78/51/93/356785193.db2.gz INKWFBYDZCYIEG-CQSZACIVSA-N 2 0 285.388 -0.454 20 0 CBADRP CC[C@H](C(=O)NCCCN1CC[NH2+]CC1)[NH+](C)C ZINC000629610969 356787303 /nfs/dbraw/zinc/78/73/03/356787303.db2.gz KNWXQTGUKRFPBO-GFCCVEGCSA-N 2 0 256.394 -0.262 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+](C)C ZINC000629615191 356787746 /nfs/dbraw/zinc/78/77/46/356787746.db2.gz SGAFKGJNEJHBAV-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP O=C(NCCC[NH+]1CCCC1)NCC[N@H+]1CC[C@H](O)C1 ZINC000630398854 356844241 /nfs/dbraw/zinc/84/42/41/356844241.db2.gz IRPYBHYDTUVXES-ZDUSSCGKSA-N 2 0 284.404 -0.162 20 0 CBADRP c1c([C@@H]2CCC[NH2+]C2)nnn1C[C@@H]1C[NH2+]CCO1 ZINC000630616682 356855923 /nfs/dbraw/zinc/85/59/23/356855923.db2.gz MRFIXAIRZBWAGH-MNOVXSKESA-N 2 0 251.334 -0.267 20 0 CBADRP c1c(CCN2CC[NH2+]CC2)nnn1CC[NH+]1CCCC1 ZINC000630617696 356856344 /nfs/dbraw/zinc/85/63/44/356856344.db2.gz FLWPEAIOQJSIHC-UHFFFAOYSA-N 2 0 278.404 -0.178 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@H]([NH3+])C1 ZINC000631899941 356916904 /nfs/dbraw/zinc/91/69/04/356916904.db2.gz CZKKQOWPFFNUNO-JTQLQIEISA-N 2 0 276.406 -0.662 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CCCC[NH2+]1 ZINC000631901924 356917708 /nfs/dbraw/zinc/91/77/08/356917708.db2.gz BYXKTBXZPVEMQZ-QWRGUYRKSA-N 2 0 277.390 -0.964 20 0 CBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@H]1CCCC[NH2+]1 ZINC000631901922 356917739 /nfs/dbraw/zinc/91/77/39/356917739.db2.gz BYXKTBXZPVEMQZ-GHMZBOCLSA-N 2 0 277.390 -0.964 20 0 CBADRP [NH3+]C[C@H]1CCCCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631901946 356917961 /nfs/dbraw/zinc/91/79/61/356917961.db2.gz CMRCLWIRPMXHFM-MNOVXSKESA-N 2 0 277.390 -0.882 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631904215 356920017 /nfs/dbraw/zinc/92/00/17/356920017.db2.gz HKSNNJSGQRIZJF-NSHDSACASA-N 2 0 292.449 -0.122 20 0 CBADRP CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631903798 356920024 /nfs/dbraw/zinc/92/00/24/356920024.db2.gz VBTOKKBKURNCQX-NEPJUHHUSA-N 2 0 291.417 -0.622 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631904977 356920227 /nfs/dbraw/zinc/92/02/27/356920227.db2.gz CPBQQSMXJAQXER-TUAOUCFPSA-N 2 0 291.417 -0.636 20 0 CBADRP CN(CC(C)(C)C[NH3+])S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631907513 356921113 /nfs/dbraw/zinc/92/11/13/356921113.db2.gz MLXOTHDRFXFUAP-UHFFFAOYSA-N 2 0 292.449 -0.168 20 0 CBADRP CC(C)[C@@H]([NH3+])CNS(=O)(=O)CCC[NH+](C)C ZINC000631905938 356921149 /nfs/dbraw/zinc/92/11/49/356921149.db2.gz YRRZGTAYOJIFAK-JTQLQIEISA-N 2 0 251.396 -0.159 20 0 CBADRP C[NH+]1CCN(CCCS(=O)(=O)NCC(C)(C)[NH3+])CC1 ZINC000631906722 356921198 /nfs/dbraw/zinc/92/11/98/356921198.db2.gz UEJGAFKEVUCNEX-UHFFFAOYSA-N 2 0 292.449 -0.719 20 0 CBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631906220 356921518 /nfs/dbraw/zinc/92/15/18/356921518.db2.gz HCBFRXHDHJQKIB-GRYCIOLGSA-N 2 0 289.401 -0.869 20 0 CBADRP CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631907987 356921852 /nfs/dbraw/zinc/92/18/52/356921852.db2.gz YQMSXBBKQNYEJU-VXGBXAGGSA-N 2 0 293.433 -0.390 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)N(C)C2CC[NH2+]CC2)[C@H](C)C[NH2+]1 ZINC000631929305 356923724 /nfs/dbraw/zinc/92/37/24/356923724.db2.gz BUCNVFGSBHQVPS-GHMZBOCLSA-N 2 0 290.433 -0.403 20 0 CBADRP C[C@H](C[NH3+])CNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631930843 356924804 /nfs/dbraw/zinc/92/48/04/356924804.db2.gz ALPZKBJZVIWYLP-SECBINFHSA-N 2 0 264.395 -0.901 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)CCC[NH+](C)C)[C@@H](C)C[NH2+]1 ZINC000631930156 356924840 /nfs/dbraw/zinc/92/48/40/356924840.db2.gz YLIREWKXFZTPFW-MNOVXSKESA-N 2 0 263.407 -0.050 20 0 CBADRP C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)CCC[NH+](C)C ZINC000631931583 356924956 /nfs/dbraw/zinc/92/49/56/356924956.db2.gz LIEUWGRRJNESPZ-WDEREUQCSA-N 2 0 263.407 -0.063 20 0 CBADRP CC[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000631932632 356926044 /nfs/dbraw/zinc/92/60/44/356926044.db2.gz WZNKVSUWIDYTHP-WOPDTQHZSA-N 2 0 291.417 -0.636 20 0 CBADRP C[NH2+][C@H]1CCCN(S(=O)(=O)CCC[NH+](C)C)C1 ZINC000631933754 356926898 /nfs/dbraw/zinc/92/68/98/356926898.db2.gz JCSNMVPTLRNSAP-NSHDSACASA-N 2 0 263.407 -0.048 20 0 CBADRP C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)CCC[NH+](C)C ZINC000631934962 356926966 /nfs/dbraw/zinc/92/69/66/356926966.db2.gz OGQPVEKKTYMKCE-WDEREUQCSA-N 2 0 263.407 -0.145 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)CCC[NH+](C)C ZINC000631934959 356927080 /nfs/dbraw/zinc/92/70/80/356927080.db2.gz OGQPVEKKTYMKCE-MNOVXSKESA-N 2 0 263.407 -0.145 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)CCC[NH+](C)C ZINC000631935088 356927275 /nfs/dbraw/zinc/92/72/75/356927275.db2.gz PNSFWGSUDNQXCW-MNOVXSKESA-N 2 0 263.407 -0.145 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000631936058 356927979 /nfs/dbraw/zinc/92/79/79/356927979.db2.gz RKZPKKMNMRYGOI-LLVKDONJSA-N 2 0 263.407 -0.061 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631936205 356928339 /nfs/dbraw/zinc/92/83/39/356928339.db2.gz WXHZHVAMXKHKEW-NWDGAFQWSA-N 2 0 291.417 -0.635 20 0 CBADRP O=S(=O)(CCC[NH+]1CCCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000631938914 356929010 /nfs/dbraw/zinc/92/90/10/356929010.db2.gz PCCINNNYKRFRPP-GDNZZTSVSA-N 2 0 273.402 -0.391 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631940427 356929492 /nfs/dbraw/zinc/92/94/92/356929492.db2.gz VWWAUQBSVZAKNM-RKDXNWHRSA-N 2 0 264.395 -0.760 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631940424 356929801 /nfs/dbraw/zinc/92/98/01/356929801.db2.gz VWWAUQBSVZAKNM-BDAKNGLRSA-N 2 0 264.395 -0.760 20 0 CBADRP CN(C)C1(CS(=O)(=O)N(CCC[NH3+])CCC[NH3+])CC1 ZINC000631941162 356929816 /nfs/dbraw/zinc/92/98/16/356929816.db2.gz POFPBNHZNVZSQB-UHFFFAOYSA-N 2 0 292.449 -0.590 20 0 CBADRP C[C@@H](CCNS(=O)(=O)N(C)C1CC[NH2+]CC1)[NH+](C)C ZINC000631950782 356932178 /nfs/dbraw/zinc/93/21/78/356932178.db2.gz PWUXUXIDSNLWIP-NSHDSACASA-N 2 0 292.449 -0.155 20 0 CBADRP C[C@H](CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1)[NH+](C)C ZINC000631950330 356932198 /nfs/dbraw/zinc/93/21/98/356932198.db2.gz GFODNLSSZZHKGE-GHMZBOCLSA-N 2 0 279.406 -0.766 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000631953627 356932531 /nfs/dbraw/zinc/93/25/31/356932531.db2.gz OMDHRPGCLCQRPG-NSHDSACASA-N 2 0 276.406 -0.743 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631953097 356932550 /nfs/dbraw/zinc/93/25/50/356932550.db2.gz CBQFHYSDXJUVFZ-VXGBXAGGSA-N 2 0 291.417 -0.766 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631953096 356932924 /nfs/dbraw/zinc/93/29/24/356932924.db2.gz CBQFHYSDXJUVFZ-RYUDHWBXSA-N 2 0 291.417 -0.766 20 0 CBADRP CCN(CC[NH3+])S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631954833 356933745 /nfs/dbraw/zinc/93/37/45/356933745.db2.gz YBVSDSWQGFIFBC-UHFFFAOYSA-N 2 0 264.395 -0.804 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631957819 356935082 /nfs/dbraw/zinc/93/50/82/356935082.db2.gz AEMSURIPCARLQJ-GXSJLCMTSA-N 2 0 276.406 -0.745 20 0 CBADRP [NH3+][C@@H]1CCCCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631962182 356936062 /nfs/dbraw/zinc/93/60/62/356936062.db2.gz DZCFCJXVKXIRBC-VXGBXAGGSA-N 2 0 291.417 -0.492 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631974745 356937848 /nfs/dbraw/zinc/93/78/48/356937848.db2.gz ZBHZNXXOFPRLGE-NXEZZACHSA-N 2 0 276.406 -0.664 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000632360177 356977072 /nfs/dbraw/zinc/97/70/72/356977072.db2.gz RYCUXWMWHPWUEI-NEPJUHHUSA-N 2 0 275.418 -0.096 20 0 CBADRP CN(CC[NH+](C)C)S(=O)(=O)CCC[NH+](C)C ZINC000632061629 356948985 /nfs/dbraw/zinc/94/89/85/356948985.db2.gz XUNPOJXAXQXVQX-UHFFFAOYSA-N 2 0 251.396 -0.239 20 0 CBADRP CN(C)C1(CS(=O)(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000632136022 356953610 /nfs/dbraw/zinc/95/36/10/356953610.db2.gz JOEBWSHQQRDYAS-NSHDSACASA-N 2 0 293.433 -0.687 20 0 CBADRP CC1(OCC(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)C[NH2+]C1 ZINC000632862682 357028724 /nfs/dbraw/zinc/02/87/24/357028724.db2.gz UOLRNTYMBIRZDT-RYUDHWBXSA-N 2 0 267.373 -0.035 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632860115 357029066 /nfs/dbraw/zinc/02/90/66/357029066.db2.gz FBRHUDCIPSWYCL-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633095626 357044680 /nfs/dbraw/zinc/04/46/80/357044680.db2.gz XLGHTZLCOAMJGT-VOAKCMCISA-N 2 0 294.399 -0.642 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000633100297 357045480 /nfs/dbraw/zinc/04/54/80/357045480.db2.gz UQOLVSASELRGNL-CHWSQXEVSA-N 2 0 298.431 -0.160 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000633114944 357048633 /nfs/dbraw/zinc/04/86/33/357048633.db2.gz FAJILERLCDINRI-JHJVBQTASA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000633115907 357049393 /nfs/dbraw/zinc/04/93/93/357049393.db2.gz NCKUYPGNWNFTKC-RYUDHWBXSA-N 2 0 282.388 -0.511 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000633116246 357049560 /nfs/dbraw/zinc/04/95/60/357049560.db2.gz QSVZJZCMFGNZCY-QWRGUYRKSA-N 2 0 270.377 -0.655 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000633137917 357051426 /nfs/dbraw/zinc/05/14/26/357051426.db2.gz AAYIFHFUCISOLD-LALPHHSUSA-N 2 0 294.399 -0.511 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000633150317 357052822 /nfs/dbraw/zinc/05/28/22/357052822.db2.gz DTMDAVAFWBVQBI-RNJOBUHISA-N 2 0 269.389 -0.150 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H]2CCCC[NH2+]2)CCO1 ZINC000634269798 357112804 /nfs/dbraw/zinc/11/28/04/357112804.db2.gz JKOAGXIPLZLBSQ-SDDRHHMPSA-N 2 0 270.377 -0.114 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cn1 ZINC000633690475 357080894 /nfs/dbraw/zinc/08/08/94/357080894.db2.gz FQEDMXSXDOECOO-CYBMUJFWSA-N 2 0 295.387 -0.759 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@]1(C)C[NH2+]CCO1)C2 ZINC000634740655 357131864 /nfs/dbraw/zinc/13/18/64/357131864.db2.gz DUESJSMVRJQLQO-HZSPNIEDSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C2 ZINC000634744025 357132334 /nfs/dbraw/zinc/13/23/34/357132334.db2.gz LVOLEKXTOMUAPF-TUKIKUTGSA-N 2 0 294.399 -0.687 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)C2 ZINC000634744024 357132446 /nfs/dbraw/zinc/13/24/46/357132446.db2.gz LVOLEKXTOMUAPF-DFBGVHRSSA-N 2 0 294.399 -0.687 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634744157 357132799 /nfs/dbraw/zinc/13/27/99/357132799.db2.gz PDPFJHMHXGAOHJ-AEGPPILISA-N 2 0 296.415 -0.456 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000634752549 357133460 /nfs/dbraw/zinc/13/34/60/357133460.db2.gz ODBFJSSWZGZXNR-MNOVXSKESA-N 2 0 255.362 -0.131 20 0 CBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000634765429 357134131 /nfs/dbraw/zinc/13/41/31/357134131.db2.gz SHLJSHQBDVRPIO-GARJFASQSA-N 2 0 255.362 -0.003 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)nn1 ZINC000634769340 357134136 /nfs/dbraw/zinc/13/41/36/357134136.db2.gz WFQGPEJHQAEOPW-MFKMUULPSA-N 2 0 278.360 -0.501 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)nn1 ZINC000634769392 357134177 /nfs/dbraw/zinc/13/41/77/357134177.db2.gz YPEBMGQJUHBLKS-RISCZKNCSA-N 2 0 292.387 -0.111 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)O1 ZINC000634769596 357134823 /nfs/dbraw/zinc/13/48/23/357134823.db2.gz HCBCIAXMMCIMGH-UZWSLXQKSA-N 2 0 253.346 -0.378 20 0 CBADRP [NH3+]Cc1ncc(C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)cn1 ZINC000634769464 357135227 /nfs/dbraw/zinc/13/52/27/357135227.db2.gz BMCAYDJRPSJMSI-MFKMUULPSA-N 2 0 261.329 -0.193 20 0 CBADRP CC(C)[C@@H](C[NH3+])CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000634991134 357141540 /nfs/dbraw/zinc/14/15/40/357141540.db2.gz RAHFUUDBOHHCPU-LBPRGKRZSA-N 2 0 256.394 -0.419 20 0 CBADRP COC[C@H](CCC[NH3+])[NH2+]CCCN1CCCS1(=O)=O ZINC000635002935 357141925 /nfs/dbraw/zinc/14/19/25/357141925.db2.gz BWVLOYZCNIAQTK-LBPRGKRZSA-N 2 0 293.433 -0.245 20 0 CBADRP CS(=O)(=O)N1CC[C@@H](C[NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000634995853 357142082 /nfs/dbraw/zinc/14/20/82/357142082.db2.gz QXQZQTCRASAZOE-UNXYVOJBSA-N 2 0 273.402 -0.391 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634992933 357142251 /nfs/dbraw/zinc/14/22/51/357142251.db2.gz GFBAUTKLEHKBTL-BBBYJDLNSA-N 2 0 292.427 -0.023 20 0 CBADRP CNS(=O)(=O)CCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000635003664 357142284 /nfs/dbraw/zinc/14/22/84/357142284.db2.gz APSVRCSPMISJNS-QWRGUYRKSA-N 2 0 263.407 -0.097 20 0 CBADRP C[C@]12C[NH+](C[C@@]3(C)CC[NH2+]C3)C[C@]1(C)C(=O)NC2=O ZINC000634999459 357142537 /nfs/dbraw/zinc/14/25/37/357142537.db2.gz UYSXVDRIGIXKQP-BFHYXJOUSA-N 2 0 265.357 -0.029 20 0 CBADRP C[NH+](C)CC(=O)N1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635263721 357154610 /nfs/dbraw/zinc/15/46/10/357154610.db2.gz SOUPOGOJOXFKTP-UHFFFAOYSA-N 2 0 296.415 -0.439 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000634733898 357130542 /nfs/dbraw/zinc/13/05/42/357130542.db2.gz QSXXSZQSYGFLJZ-NFAWXSAZSA-N 3 0 280.416 -0.085 20 0 CBADRP C[C@@H](C(=O)NC1(CCO)CC[NH+](C)CC1)[NH+](C)C ZINC000635775143 357204883 /nfs/dbraw/zinc/20/48/83/357204883.db2.gz SSPQHNVDTOUAJS-NSHDSACASA-N 2 0 257.378 -0.101 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC000635809353 357211069 /nfs/dbraw/zinc/21/10/69/357211069.db2.gz GHYMIUKTAXLFJR-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP C[C@H](C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)[NH+](C)C ZINC000635927192 357234909 /nfs/dbraw/zinc/23/49/09/357234909.db2.gz MIUHYGGHZAQZTL-YPMHNXCESA-N 2 0 296.415 -0.252 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)CC1 ZINC000635928438 357235244 /nfs/dbraw/zinc/23/52/44/357235244.db2.gz GKHVCKKXIWMIMT-STQMWFEESA-N 2 0 281.400 -0.004 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@H]1O ZINC000635947956 357237647 /nfs/dbraw/zinc/23/76/47/357237647.db2.gz GIUINIZOIMJQJY-SRVKXCTJSA-N 2 0 255.362 -0.396 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1O ZINC000635948468 357237901 /nfs/dbraw/zinc/23/79/01/357237901.db2.gz NJRIQAVLLHFEQI-STQMWFEESA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+](C)C ZINC000635571966 357178544 /nfs/dbraw/zinc/17/85/44/357178544.db2.gz DXQDZDJIYGNXSN-ZIAGYGMSSA-N 2 0 298.431 -0.541 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC1CC[NH+](C2CC2)CC1 ZINC000636516401 357287716 /nfs/dbraw/zinc/28/77/16/357287716.db2.gz BLIBLHOMVSNEEF-AWEZNQCLSA-N 2 0 296.415 -0.021 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000636578689 357289954 /nfs/dbraw/zinc/28/99/54/357289954.db2.gz NLODGZOFCIYYIA-RDBSUJKOSA-N 2 0 296.415 -0.021 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000636596610 357292198 /nfs/dbraw/zinc/29/21/98/357292198.db2.gz SUSISALAZONIJA-MJBXVCDLSA-N 2 0 296.415 -0.021 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@@H+]1C ZINC000636844692 357307068 /nfs/dbraw/zinc/30/70/68/357307068.db2.gz KYQFEQASYFSJQW-AVGNSLFASA-N 2 0 284.404 -0.165 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000637820351 357370342 /nfs/dbraw/zinc/37/03/42/357370342.db2.gz DBIJTCIKDISCQO-LBPRGKRZSA-N 2 0 296.415 -0.358 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000637822900 357371497 /nfs/dbraw/zinc/37/14/97/357371497.db2.gz OCKITUUFQMBBSW-AAEUAGOBSA-N 2 0 255.362 -0.048 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000637832004 357372931 /nfs/dbraw/zinc/37/29/31/357372931.db2.gz DRRZDWQQUJRTPE-MDZLAQPJSA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000637835423 357373875 /nfs/dbraw/zinc/37/38/75/357373875.db2.gz PFTZQBUGLKSAEH-CYBMUJFWSA-N 2 0 255.362 -0.177 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637002673 357316334 /nfs/dbraw/zinc/31/63/34/357316334.db2.gz UGIANRQUVQGDLQ-LBPRGKRZSA-N 2 0 272.393 -0.258 20 0 CBADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CC[NH2+]1 ZINC000637843001 357374673 /nfs/dbraw/zinc/37/46/73/357374673.db2.gz YGAQCHNNUGGUGV-LLVKDONJSA-N 2 0 265.361 -0.121 20 0 CBADRP CC(C)[C@H]1CN(C(=O)NCCN2CC[NH2+]CC2)CC[N@@H+]1C ZINC000637039221 357318779 /nfs/dbraw/zinc/31/87/79/357318779.db2.gz SSLCZOZANMPMAB-CQSZACIVSA-N 2 0 297.447 -0.127 20 0 CBADRP COC[C@]1(C(=O)N2CC[NH2+][C@@H](C)C2)CCCC[NH2+]1 ZINC000637839997 357375412 /nfs/dbraw/zinc/37/54/12/357375412.db2.gz HESRAGWHLZWFFG-AAEUAGOBSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000637254429 357335581 /nfs/dbraw/zinc/33/55/81/357335581.db2.gz AKPSTDGGKDJKOJ-FRRDWIJNSA-N 2 0 284.404 -0.308 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000637844131 357376148 /nfs/dbraw/zinc/37/61/48/357376148.db2.gz DUABEYCDGSLDSB-ZPFDUUQYSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC[C@@H]1[NH3+] ZINC000637844548 357376317 /nfs/dbraw/zinc/37/63/17/357376317.db2.gz ISMBHTSVWLGYRP-NTZNESFSSA-N 2 0 255.362 -0.062 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)C1 ZINC000637844130 357376416 /nfs/dbraw/zinc/37/64/16/357376416.db2.gz DUABEYCDGSLDSB-XZUYRWCXSA-N 2 0 255.362 -0.051 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000637850935 357376994 /nfs/dbraw/zinc/37/69/94/357376994.db2.gz MAGAINHOPNAODX-BLFANLJRSA-N 2 0 255.362 -0.003 20 0 CBADRP COC[C@@]1(C(=O)NCCCN2CC[NH2+]CC2)CCCC[NH2+]1 ZINC000637799002 357365711 /nfs/dbraw/zinc/36/57/11/357365711.db2.gz SKWVVHHEUPYBGC-OAHLLOKOSA-N 2 0 298.431 -0.443 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[NH2+]CC1 ZINC000637801782 357366311 /nfs/dbraw/zinc/36/63/11/357366311.db2.gz RNCCJEVBSRNRHR-UHFFFAOYSA-N 2 0 255.362 -0.223 20 0 CBADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[NH2+]CC2)c1 ZINC000637800621 357366749 /nfs/dbraw/zinc/36/67/49/357366749.db2.gz GIHKICRRGDYPIY-ZDUSSCGKSA-N 2 0 263.341 -0.003 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C[N@H+](C)CC(C)(C)C ZINC000637809583 357367456 /nfs/dbraw/zinc/36/74/56/357367456.db2.gz AVPDHAFIMIVCQU-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCC[NH2+]C2)cn1 ZINC000637806248 357367679 /nfs/dbraw/zinc/36/76/79/357367679.db2.gz VOQJZNWUQKCYEA-GFCCVEGCSA-N 2 0 265.361 -0.074 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000637810275 357368380 /nfs/dbraw/zinc/36/83/80/357368380.db2.gz DLXJDYTYBNCCDJ-GFCCVEGCSA-N 2 0 254.378 -0.650 20 0 CBADRP C[NH+](C)CC1(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000637810859 357368654 /nfs/dbraw/zinc/36/86/54/357368654.db2.gz KILBRHKMPIHQNQ-UHFFFAOYSA-N 2 0 254.378 -0.650 20 0 CBADRP [NH3+][C@H]1CC=C(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000638231065 357440594 /nfs/dbraw/zinc/44/05/94/357440594.db2.gz ZEDASHFIROODPC-QWHCGFSZSA-N 2 0 264.373 -0.460 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000638236953 357440979 /nfs/dbraw/zinc/44/09/79/357440979.db2.gz MMVXMERAPIZRGL-NEPJUHHUSA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@]1(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C[NH2+]CCO1 ZINC000638235818 357441088 /nfs/dbraw/zinc/44/10/88/357441088.db2.gz ZXHVHPRLXONHLF-KGLIPLIRSA-N 2 0 267.373 -0.033 20 0 CBADRP C[C@]1(C(=O)N[C@H]2CC23CC[NH2+]CC3)C[NH2+]CCO1 ZINC000638243598 357442084 /nfs/dbraw/zinc/44/20/84/357442084.db2.gz CGJMOSFJRNYSCD-CMPLNLGQSA-N 2 0 253.346 -0.377 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638051726 357406400 /nfs/dbraw/zinc/40/64/00/357406400.db2.gz PKXPMBAFNVTGMQ-CYBMUJFWSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]C[C@@]1(C(=O)NCC[NH+]2CCCC2)CCCOC1 ZINC000638054593 357406445 /nfs/dbraw/zinc/40/64/45/357406445.db2.gz GDBSHNYBVAFDGO-ZDUSSCGKSA-N 2 0 255.362 -0.046 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638051727 357406568 /nfs/dbraw/zinc/40/65/68/357406568.db2.gz PKXPMBAFNVTGMQ-ZDUSSCGKSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@]1(C(=O)N2CC[NH+](CC3CC3)CC2)C[NH2+]CCO1 ZINC000638071556 357409609 /nfs/dbraw/zinc/40/96/09/357409609.db2.gz KEAHMSPRUJAMAS-CQSZACIVSA-N 2 0 267.373 -0.081 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638072084 357410777 /nfs/dbraw/zinc/41/07/77/357410777.db2.gz PUEUUELDRNRNOP-SDDRHHMPSA-N 2 0 255.362 -0.097 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638075340 357411165 /nfs/dbraw/zinc/41/11/65/357411165.db2.gz DZVQYMCNSKBVST-DGCLKSJQSA-N 2 0 255.362 -0.048 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638078716 357412245 /nfs/dbraw/zinc/41/22/45/357412245.db2.gz MTNVFVVVZHPYNJ-AAEUAGOBSA-N 2 0 255.362 -0.048 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000638082524 357412610 /nfs/dbraw/zinc/41/26/10/357412610.db2.gz DPJNBXQODCTRKP-AWEZNQCLSA-N 2 0 280.416 -0.022 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638078934 357412633 /nfs/dbraw/zinc/41/26/33/357412633.db2.gz OMYCIEXETRJAKB-GRYCIOLGSA-N 2 0 255.362 -0.051 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000638081632 357412815 /nfs/dbraw/zinc/41/28/15/357412815.db2.gz BAKIKJAWVDGFBC-AAEUAGOBSA-N 2 0 255.362 -0.036 20 0 CBADRP [NH3+]Cc1ncc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000638085026 357413601 /nfs/dbraw/zinc/41/36/01/357413601.db2.gz NSXFRJWIOCMUAW-JTQLQIEISA-N 2 0 261.329 -0.098 20 0 CBADRP C[C@@]1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000638083504 357413772 /nfs/dbraw/zinc/41/37/72/357413772.db2.gz FWNHIVBYFJMFPO-GWCFXTLKSA-N 2 0 253.346 -0.282 20 0 CBADRP C[C@H](NC(=O)[C@@H]1OCC[C@@H]1[NH3+])C1CC[NH+](C)CC1 ZINC000638092125 357414909 /nfs/dbraw/zinc/41/49/09/357414909.db2.gz UMXBYDKLFYDDBG-ZMLRMANQSA-N 2 0 255.362 -0.051 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638097414 357415924 /nfs/dbraw/zinc/41/59/24/357415924.db2.gz UFKCZGJKBNJLPN-DGCLKSJQSA-N 2 0 255.362 -0.083 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638101826 357417336 /nfs/dbraw/zinc/41/73/36/357417336.db2.gz RETJVVIQMZDXJQ-NEPJUHHUSA-N 2 0 253.346 -0.129 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638100541 357417495 /nfs/dbraw/zinc/41/74/95/357417495.db2.gz PZIWTPKTVOTGDF-VNHYZAJKSA-N 2 0 299.415 -0.020 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638101828 357417527 /nfs/dbraw/zinc/41/75/27/357417527.db2.gz RETJVVIQMZDXJQ-NWDGAFQWSA-N 2 0 253.346 -0.129 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638102069 357418367 /nfs/dbraw/zinc/41/83/67/357418367.db2.gz XJVZOWRBISDELL-ZFWWWQNUSA-N 2 0 299.415 -0.031 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000638102085 357418496 /nfs/dbraw/zinc/41/84/96/357418496.db2.gz RQFDALCZBZGGJH-UTUOFQBUSA-N 2 0 253.346 -0.297 20 0 CBADRP C[C@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)[N@H+](C)C1CC1 ZINC000638102677 357418698 /nfs/dbraw/zinc/41/86/98/357418698.db2.gz VMUWLAXECJUINP-ZWNOBZJWSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)CC[N@@H+]1C ZINC000638116149 357420654 /nfs/dbraw/zinc/42/06/54/357420654.db2.gz XLJZPSUKHRBTSE-NQBHXWOUSA-N 2 0 255.362 -0.036 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000638117952 357420699 /nfs/dbraw/zinc/42/06/99/357420699.db2.gz PWMSOTZDJCTPIX-UONOGXRCSA-N 2 0 298.431 -0.493 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000638112905 357421026 /nfs/dbraw/zinc/42/10/26/357421026.db2.gz WUJGGOVCLNCHII-TZMCWYRMSA-N 2 0 299.415 -0.020 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638127546 357422613 /nfs/dbraw/zinc/42/26/13/357422613.db2.gz CPBJFQKSUFXGJU-OAHLLOKOSA-N 2 0 298.431 -0.493 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638135917 357424317 /nfs/dbraw/zinc/42/43/17/357424317.db2.gz VSVXWQXGJRKUQN-DGCLKSJQSA-N 2 0 266.389 -0.510 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000638141431 357424919 /nfs/dbraw/zinc/42/49/19/357424919.db2.gz UKCFQNLKAZEZFE-QWHCGFSZSA-N 2 0 268.405 -0.038 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638138432 357424952 /nfs/dbraw/zinc/42/49/52/357424952.db2.gz AVAWFQWLAIZEMY-TZMCWYRMSA-N 2 0 284.404 -0.896 20 0 CBADRP C[C@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)N1CC[NH+](C)CC1 ZINC000638139696 357425104 /nfs/dbraw/zinc/42/51/04/357425104.db2.gz GDZKHMJSSYYYRM-OCCSQVGLSA-N 2 0 284.404 -0.883 20 0 CBADRP CC[NH2+][C@H](C)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000638141056 357425152 /nfs/dbraw/zinc/42/51/52/357425152.db2.gz RCWUCRYHOFESAG-NWDGAFQWSA-N 2 0 256.394 -0.264 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000638141663 357425265 /nfs/dbraw/zinc/42/52/65/357425265.db2.gz UVXSJHLJYMSNAE-KCQAQPDRSA-N 2 0 298.431 -0.495 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000638141310 357425500 /nfs/dbraw/zinc/42/55/00/357425500.db2.gz SLXXVIKZCGVMQU-RYUDHWBXSA-N 2 0 256.394 -0.264 20 0 CBADRP [NH3+][C@@H]1CCc2ncc(NC(=O)CN3CC[NH2+]CC3)cc2C1 ZINC000638151828 357426391 /nfs/dbraw/zinc/42/63/91/357426391.db2.gz BHLBYIIRPKQKJB-GFCCVEGCSA-N 2 0 289.383 -0.259 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638142414 357426568 /nfs/dbraw/zinc/42/65/68/357426568.db2.gz ZSIXDJSJENZVQW-DGCLKSJQSA-N 2 0 266.389 -0.214 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000638146591 357426598 /nfs/dbraw/zinc/42/65/98/357426598.db2.gz UUDABNVGWZPKHC-UONOGXRCSA-N 2 0 280.416 -0.118 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]([NH3+])C2CC2)CCCC[NH2+]1 ZINC000638152010 357426990 /nfs/dbraw/zinc/42/69/90/357426990.db2.gz CFZSBIRHVNOEKD-AAEUAGOBSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@]1(CNC(=O)[C@]2(C)C[NH2+]CCO2)CCC[NH2+]C1 ZINC000638162150 357428660 /nfs/dbraw/zinc/42/86/60/357428660.db2.gz CZTYMTAFYLYTHS-STQMWFEESA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@]1(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[NH2+]CCO1 ZINC000638166019 357429389 /nfs/dbraw/zinc/42/93/89/357429389.db2.gz UPBFLOQVILSQCT-KZVDOYCCSA-N 2 0 267.373 -0.049 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C[NH2+]CCO1 ZINC000638245226 357443221 /nfs/dbraw/zinc/44/32/21/357443221.db2.gz AWJNRFMVONFAGM-NTZNESFSSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000638164889 357429631 /nfs/dbraw/zinc/42/96/31/357429631.db2.gz MVCIVVOBECIEOX-OOCWMUITSA-N 2 0 253.346 -0.312 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C[NH2+]CCO1 ZINC000638172235 357431618 /nfs/dbraw/zinc/43/16/18/357431618.db2.gz UPJVGINPJFWIKT-CHWSQXEVSA-N 2 0 253.346 -0.423 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000638197832 357433520 /nfs/dbraw/zinc/43/35/20/357433520.db2.gz DNNINAOGZOKZIM-CZXHOFHRSA-N 2 0 267.373 -0.036 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@]2(C)C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000638206845 357435236 /nfs/dbraw/zinc/43/52/36/357435236.db2.gz LOWWIARDXAJWMB-MDZLAQPJSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000638210069 357435317 /nfs/dbraw/zinc/43/53/17/357435317.db2.gz MMFLKBZUYQOPEJ-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CCC1C[NH2+]C1 ZINC000638209597 357435443 /nfs/dbraw/zinc/43/54/43/357435443.db2.gz KVAXABUNDRLENW-ZDUSSCGKSA-N 2 0 296.415 -0.168 20 0 CBADRP CC[NH2+][C@H](C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000638219263 357436241 /nfs/dbraw/zinc/43/62/41/357436241.db2.gz JHKFEMBJXUHTNK-ZJUUUORDSA-N 2 0 296.337 -0.063 20 0 CBADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638221201 357436570 /nfs/dbraw/zinc/43/65/70/357436570.db2.gz VRVADNFMKAAOHA-QWHCGFSZSA-N 2 0 255.362 -0.061 20 0 CBADRP COC[C@]1(CNC(=O)CCC2C[NH2+]C2)CCC[NH2+]1 ZINC000638229703 357439007 /nfs/dbraw/zinc/43/90/07/357439007.db2.gz GQUNLJLSUYEFID-CYBMUJFWSA-N 2 0 255.362 -0.129 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000638228653 357439435 /nfs/dbraw/zinc/43/94/35/357439435.db2.gz IQOJSIAUTBKKPW-VXGBXAGGSA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638231521 357440001 /nfs/dbraw/zinc/44/00/01/357440001.db2.gz QCDCWJKGVFRMGL-NTZNESFSSA-N 2 0 254.378 -0.606 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CCO1 ZINC000637865460 357379483 /nfs/dbraw/zinc/37/94/83/357379483.db2.gz FNTXYYGJOBIDRO-AAEUAGOBSA-N 2 0 295.387 -0.367 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000638571385 357495333 /nfs/dbraw/zinc/49/53/33/357495333.db2.gz PQRSZMWJFKLSGD-CHWSQXEVSA-N 2 0 296.415 -0.168 20 0 CBADRP CO[C@]1(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCOC1 ZINC000638571635 357495478 /nfs/dbraw/zinc/49/54/78/357495478.db2.gz NQDBEFVAQUYFAN-ZFWWWQNUSA-N 2 0 299.415 -0.031 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000638571617 357495846 /nfs/dbraw/zinc/49/58/46/357495846.db2.gz NCBWTDMMGGKGKG-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000638573681 357496204 /nfs/dbraw/zinc/49/62/04/357496204.db2.gz HMPVLNZHCVOROU-VHSXEESVSA-N 2 0 266.349 -0.503 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638595367 357500570 /nfs/dbraw/zinc/50/05/70/357500570.db2.gz RMPQIBDDIVWDCH-ZDUSSCGKSA-N 2 0 273.377 -0.564 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638612786 357505226 /nfs/dbraw/zinc/50/52/26/357505226.db2.gz DZJYQKGRHVQTLZ-PSASIEDQSA-N 2 0 281.278 -0.367 20 0 CBADRP COc1cccc([C@@H]([NH3+])C(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000638613481 357505320 /nfs/dbraw/zinc/50/53/20/357505320.db2.gz XKQZUNQTGFCQMT-DGCLKSJQSA-N 2 0 279.340 -0.200 20 0 CBADRP COc1cccc([C@@H]([NH3+])C(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000638613482 357505540 /nfs/dbraw/zinc/50/55/40/357505540.db2.gz XKQZUNQTGFCQMT-WCQYABFASA-N 2 0 279.340 -0.200 20 0 CBADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638615856 357507441 /nfs/dbraw/zinc/50/74/41/357507441.db2.gz IWVVVQYUTJZLKX-GVXVVHGQSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@]([NH3+])(C(=O)NC[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000638616241 357507506 /nfs/dbraw/zinc/50/75/06/357507506.db2.gz PCNXDRQBJHZGFA-GXTWGEPZSA-N 2 0 263.341 -0.035 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638616962 357507633 /nfs/dbraw/zinc/50/76/33/357507633.db2.gz QVVUYZOTPAGGHZ-JTQLQIEISA-N 2 0 264.329 -0.134 20 0 CBADRP C[C@]([NH3+])(C(=O)NC[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000638616244 357508347 /nfs/dbraw/zinc/50/83/47/357508347.db2.gz PCNXDRQBJHZGFA-TZMCWYRMSA-N 2 0 263.341 -0.035 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000638616002 357508380 /nfs/dbraw/zinc/50/83/80/357508380.db2.gz HBLBJXGKJYUZNU-STQMWFEESA-N 2 0 293.371 -0.474 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000638249327 357444592 /nfs/dbraw/zinc/44/45/92/357444592.db2.gz WSUPVODOZRILEG-UHXUPSOCSA-N 2 0 267.373 -0.036 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000638262799 357445153 /nfs/dbraw/zinc/44/51/53/357445153.db2.gz NTSGAVKHVCLAKV-UONOGXRCSA-N 2 0 280.416 -0.260 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000638266228 357445886 /nfs/dbraw/zinc/44/58/86/357445886.db2.gz OVOZJRQAWFRVPJ-ZDUSSCGKSA-N 2 0 299.415 -0.161 20 0 CBADRP C[C@]1(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C[NH2+]CCO1 ZINC000638265935 357446034 /nfs/dbraw/zinc/44/60/34/357446034.db2.gz GZOULEYBGJRHDL-VXNVDRBHSA-N 2 0 269.267 -0.239 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[NH2+]CCCO2)cn1 ZINC000638267904 357446168 /nfs/dbraw/zinc/44/61/68/357446168.db2.gz WHKYZDXZLLPUEX-CYBMUJFWSA-N 2 0 295.387 -0.447 20 0 CBADRP [NH3+]C[C@]1(C(=O)NC[C@H]2C[NH2+]CCCO2)CCCOC1 ZINC000638268197 357446373 /nfs/dbraw/zinc/44/63/73/357446373.db2.gz XISAOMPWKVLLEV-DGCLKSJQSA-N 2 0 271.361 -0.763 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000638263417 357446482 /nfs/dbraw/zinc/44/64/82/357446482.db2.gz BFEIHTYJFYMNPY-LOWVWBTDSA-N 2 0 271.361 -0.752 20 0 CBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CN1CC[NH2+]CC1 ZINC000638277162 357449521 /nfs/dbraw/zinc/44/95/21/357449521.db2.gz RWTNBGKXSYXGSV-AWEZNQCLSA-N 2 0 298.431 -0.539 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CN1CC[NH2+]CC1 ZINC000638284448 357451970 /nfs/dbraw/zinc/45/19/70/357451970.db2.gz GVHVRICKZLAEKM-OLZOCXBDSA-N 2 0 268.405 -0.310 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CC[NH2+]CC2)C1 ZINC000638287101 357451994 /nfs/dbraw/zinc/45/19/94/357451994.db2.gz UAVJRYWGIUMBRG-ZIAGYGMSSA-N 2 0 280.416 -0.166 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000638286262 357452086 /nfs/dbraw/zinc/45/20/86/357452086.db2.gz OSSBNJVBFNXIEH-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP COc1cccc([C@@H]([NH3+])C(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000638337397 357459192 /nfs/dbraw/zinc/45/91/92/357459192.db2.gz FXNMGMXIDDJPLS-QWHCGFSZSA-N 2 0 279.340 -0.200 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000638337641 357459219 /nfs/dbraw/zinc/45/92/19/357459219.db2.gz JDUUFXWJELRLBG-GRYCIOLGSA-N 2 0 255.362 -0.179 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H]2C[NH2+]CCO2)CCCC[NH2+]1 ZINC000638336994 357459359 /nfs/dbraw/zinc/45/93/59/357459359.db2.gz ANHXDEVKLTVCGS-DGCLKSJQSA-N 2 0 271.361 -0.750 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000638337264 357459900 /nfs/dbraw/zinc/45/99/00/357459900.db2.gz FEYCTOXIXWXSFN-LBPRGKRZSA-N 2 0 285.388 -0.551 20 0 CBADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[NH2+]CC1)C2 ZINC000638384755 357464381 /nfs/dbraw/zinc/46/43/81/357464381.db2.gz YRODIBFSACSZKJ-JSGCOSHPSA-N 2 0 266.389 -0.521 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000638377994 357464558 /nfs/dbraw/zinc/46/45/58/357464558.db2.gz UKDYNPIARZXFLQ-UHFFFAOYSA-N 2 0 268.405 -0.166 20 0 CBADRP [NH3+]CC12CCC(CC1)CN2C(=O)CN1CC[NH2+]CC1 ZINC000638379841 357464678 /nfs/dbraw/zinc/46/46/78/357464678.db2.gz PDQIJMDHHRRHBC-UHFFFAOYSA-N 2 0 266.389 -0.379 20 0 CBADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1OCC[C@@H]1[NH3+])C2 ZINC000638385238 357464686 /nfs/dbraw/zinc/46/46/86/357464686.db2.gz SLLZTFMJYPSQQZ-KQXIARHKSA-N 2 0 253.346 -0.310 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000638387541 357465747 /nfs/dbraw/zinc/46/57/47/357465747.db2.gz FNHFGCDJGYJQSK-CMPLNLGQSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000638423460 357473061 /nfs/dbraw/zinc/47/30/61/357473061.db2.gz VWTJGGCZWQXCEQ-NEPJUHHUSA-N 2 0 254.378 -0.523 20 0 CBADRP [NH3+][C@@H]1CC=C(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000638427226 357473915 /nfs/dbraw/zinc/47/39/15/357473915.db2.gz VFWQMAIGGJDWOD-OLZOCXBDSA-N 2 0 264.373 -0.460 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000638432594 357475810 /nfs/dbraw/zinc/47/58/10/357475810.db2.gz YSLMVDRMZBCNKX-DNRKLUKYSA-N 2 0 259.325 -0.349 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@]2(C)C[NH2+]CCO2)CCO1 ZINC000638433424 357476301 /nfs/dbraw/zinc/47/63/01/357476301.db2.gz UABZYRFDTPFYNY-HIFRSBDPSA-N 2 0 299.415 -0.066 20 0 CBADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)CN1CC[NH2+]CC1)C2 ZINC000638442313 357477523 /nfs/dbraw/zinc/47/75/23/357477523.db2.gz RQZKSKMWHQUBOV-AAEUAGOBSA-N 2 0 252.362 -0.769 20 0 CBADRP [NH3+]C1(CC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000638484614 357483438 /nfs/dbraw/zinc/48/34/38/357483438.db2.gz CSIWSQJSOAOOQB-UHFFFAOYSA-N 2 0 295.387 -0.963 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@@H](N)CC[NH+](C)C ZINC000638492375 357484511 /nfs/dbraw/zinc/48/45/11/357484511.db2.gz OREPZTPZYNXJSM-RYUDHWBXSA-N 3 0 256.394 -0.278 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000638495037 357485850 /nfs/dbraw/zinc/48/58/50/357485850.db2.gz DOUPFQPIOPRQJS-NWDGAFQWSA-N 2 0 296.415 -0.170 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000638497089 357487697 /nfs/dbraw/zinc/48/76/97/357487697.db2.gz IYVJKEIDEIRBQX-QWRGUYRKSA-N 2 0 282.388 -0.560 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000638623230 357511282 /nfs/dbraw/zinc/51/12/82/357511282.db2.gz AOSIKYKRMRVYDV-TZMCWYRMSA-N 2 0 275.352 -0.022 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638504166 357490932 /nfs/dbraw/zinc/49/09/32/357490932.db2.gz DNWSGKZMEXRJQP-RYUDHWBXSA-N 2 0 294.399 -0.355 20 0 CBADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)C[NH3+])cc1 ZINC000638524833 357493528 /nfs/dbraw/zinc/49/35/28/357493528.db2.gz STYDNPQQBGMUNK-UHFFFAOYSA-N 2 0 264.329 -0.125 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000638540881 357494184 /nfs/dbraw/zinc/49/41/84/357494184.db2.gz BHMVINNFWPKONZ-LLVKDONJSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CC[C@@H]1C(F)(F)F ZINC000638546161 357494546 /nfs/dbraw/zinc/49/45/46/357494546.db2.gz BOZOHZZVFIBBPB-UTLUCORTSA-N 2 0 295.305 -0.040 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC000638641649 357514953 /nfs/dbraw/zinc/51/49/53/357514953.db2.gz GIYPJMDQYOWOKZ-MXWKQRLJSA-N 2 0 268.361 -0.889 20 0 CBADRP [NH3+]CCCOCCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000638662962 357517209 /nfs/dbraw/zinc/51/72/09/357517209.db2.gz HUFBOMYCDWUKFV-AAEUAGOBSA-N 2 0 255.362 -0.142 20 0 CBADRP [NH3+]CCCOCCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000638662966 357517805 /nfs/dbraw/zinc/51/78/05/357517805.db2.gz HUFBOMYCDWUKFV-YPMHNXCESA-N 2 0 255.362 -0.142 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000638673987 357519029 /nfs/dbraw/zinc/51/90/29/357519029.db2.gz CBKIKMNXHZFHOL-LLVKDONJSA-N 2 0 255.362 -0.190 20 0 CBADRP CC[NH+]1CCN(CC(=O)N(C)CCOCC[NH3+])CC1 ZINC000638676544 357519821 /nfs/dbraw/zinc/51/98/21/357519821.db2.gz YLTWNMCXSFAKDR-UHFFFAOYSA-N 2 0 272.393 -0.942 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N(C)CCOCC[NH3+])CC1 ZINC000638675807 357519841 /nfs/dbraw/zinc/51/98/41/357519841.db2.gz KCHZDJZQGPUMQN-UHFFFAOYSA-N 2 0 286.420 -0.552 20 0 CBADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C1(O)C[NH2+]C1 ZINC000638803272 357533330 /nfs/dbraw/zinc/53/33/30/357533330.db2.gz KHBNMADEHCLJTM-CQSZACIVSA-N 2 0 289.379 -0.041 20 0 CBADRP CN(C(=O)CCOC1C[NH2+]C1)[C@H]1C[NH+]2CCC1CC2 ZINC000638854835 357538572 /nfs/dbraw/zinc/53/85/72/357538572.db2.gz USCGFSNKOFEVRT-ZDUSSCGKSA-N 2 0 267.373 -0.083 20 0 CBADRP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1C[NH+]2CCC1CC2 ZINC000638853499 357538681 /nfs/dbraw/zinc/53/86/81/357538681.db2.gz HPGCYWFKLNODHV-STQMWFEESA-N 2 0 294.399 -0.593 20 0 CBADRP [NH3+][C@@H](CCNC(=O)CN1CC[NH2+]CC1)Cc1ccccc1 ZINC000638881928 357539976 /nfs/dbraw/zinc/53/99/76/357539976.db2.gz YVJYXLCRUGOQGK-HNNXBMFYSA-N 2 0 290.411 -0.032 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000638905093 357541772 /nfs/dbraw/zinc/54/17/72/357541772.db2.gz AKSFFADJKMBQNS-WXHSDQCUSA-N 2 0 292.387 -0.102 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000638914842 357542860 /nfs/dbraw/zinc/54/28/60/357542860.db2.gz WQMXADDTXQSQCT-RYUDHWBXSA-N 2 0 252.362 -0.803 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925661 357544547 /nfs/dbraw/zinc/54/45/47/357544547.db2.gz RPIMKWBAJXISLR-TUAOUCFPSA-N 2 0 280.372 -0.793 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638933710 357544975 /nfs/dbraw/zinc/54/49/75/357544975.db2.gz ZDMZJLCCVQMHEX-OLZOCXBDSA-N 2 0 287.404 -0.081 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000638934287 357546153 /nfs/dbraw/zinc/54/61/53/357546153.db2.gz GMBRUKDSDXTGGC-OLZOCXBDSA-N 2 0 268.405 -0.038 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000638934776 357546212 /nfs/dbraw/zinc/54/62/12/357546212.db2.gz KFUSFUDPHAUBLN-GMTAPVOTSA-N 2 0 268.361 -0.807 20 0 CBADRP Cn1ncnc1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000639172057 357560692 /nfs/dbraw/zinc/56/06/92/357560692.db2.gz HHZZXROIFUYFDW-UHFFFAOYSA-N 2 0 254.382 -0.260 20 0 CBADRP CC[N@@H+]1CC[C@H]2OCCN(Cc3cnc(N)nc3N)[C@H]2C1 ZINC000639205439 357561702 /nfs/dbraw/zinc/56/17/02/357561702.db2.gz JGLLWAALYQPGSL-NWDGAFQWSA-N 2 0 292.387 -0.403 20 0 CBADRP COC[C@@](C)(CO)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000639954413 357623989 /nfs/dbraw/zinc/62/39/89/357623989.db2.gz BQWKQVARMXOPQJ-OAHLLOKOSA-N 2 0 299.415 -0.284 20 0 CBADRP C[NH+](C)C[C@]1(O)CCCN(C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000639768882 357596703 /nfs/dbraw/zinc/59/67/03/357596703.db2.gz UVMNAYGDTMTAGC-LSDHHAIUSA-N 2 0 285.432 -0.170 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639841663 357603361 /nfs/dbraw/zinc/60/33/61/357603361.db2.gz XLWXCELRGYFZDL-IJLUTSLNSA-N 2 0 282.388 -0.621 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)CC1 ZINC000639854203 357608413 /nfs/dbraw/zinc/60/84/13/357608413.db2.gz JIHQZMLVAGMIQW-ZFWWWQNUSA-N 2 0 299.415 -0.596 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](O)C[C@]2(C)CO)CC1 ZINC000639854200 357608445 /nfs/dbraw/zinc/60/84/45/357608445.db2.gz JIHQZMLVAGMIQW-UKRRQHHQSA-N 2 0 299.415 -0.596 20 0 CBADRP CC1(C)CN(C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@@H+]1CCO ZINC000640304492 357643280 /nfs/dbraw/zinc/64/32/80/357643280.db2.gz PNAHOKACRLAKQS-GFCCVEGCSA-N 2 0 284.404 -0.178 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000640949219 357669880 /nfs/dbraw/zinc/66/98/80/357669880.db2.gz OJMHVHGXWDZGGH-YFKTTZPYSA-N 2 0 270.377 -0.258 20 0 CBADRP C[C@H]([NH3+])CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000641475785 357710436 /nfs/dbraw/zinc/71/04/36/357710436.db2.gz QLTDXKSTSPMKMF-JTQLQIEISA-N 2 0 258.366 -0.568 20 0 CBADRP C[C@H]([NH3+])CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000641493509 357713240 /nfs/dbraw/zinc/71/32/40/357713240.db2.gz NUHVWTZDYSEJQB-QWRGUYRKSA-N 2 0 272.393 -0.180 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000574038777 334986956 /nfs/dbraw/zinc/98/69/56/334986956.db2.gz NYWYTONQDCMNEL-TUAOUCFPSA-N 2 0 253.346 -0.567 20 0 CBADRP COCC[C@@H]([NH3+])Cc1cn(C[C@H](O)C[N@H+](C)C(C)C)nn1 ZINC000641220759 357681504 /nfs/dbraw/zinc/68/15/04/357681504.db2.gz FHWHPEVMPQJNQF-TZMCWYRMSA-N 2 0 299.419 -0.115 20 0 CBADRP COCC[N@H+](C)C[C@H](O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641224896 357683149 /nfs/dbraw/zinc/68/31/49/357683149.db2.gz YVBRZOVLABKRKX-JSGCOSHPSA-N 2 0 297.403 -0.631 20 0 CBADRP C[C@H]([NH3+])CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000641426467 357704418 /nfs/dbraw/zinc/70/44/18/357704418.db2.gz UPCNUMNVLJOFAR-GARJFASQSA-N 2 0 258.366 -0.570 20 0 CBADRP NS(=O)(=O)CCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000641797606 357742383 /nfs/dbraw/zinc/74/23/83/357742383.db2.gz CYQQYGDWGQDCJF-VXGBXAGGSA-N 2 0 275.418 -0.014 20 0 CBADRP NS(=O)(=O)CCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000641798028 357742581 /nfs/dbraw/zinc/74/25/81/357742581.db2.gz GOFXZUXFQUSODP-PHIMTYICSA-N 2 0 261.391 -0.404 20 0 CBADRP NS(=O)(=O)CCC[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2[NH3+] ZINC000641798644 357742826 /nfs/dbraw/zinc/74/28/26/357742826.db2.gz PAMNNRPTOWNENK-OUAUKWLOSA-N 2 0 261.391 -0.276 20 0 CBADRP COCCCS(=O)(=O)NCC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641802075 357743673 /nfs/dbraw/zinc/74/36/73/357743673.db2.gz HNCLJHQLPVTSKM-QWRGUYRKSA-N 2 0 293.433 -0.342 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642114188 357750524 /nfs/dbraw/zinc/75/05/24/357750524.db2.gz OZJATQPDQKDGAB-VHSXEESVSA-N 2 0 258.366 -0.704 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642114148 357750919 /nfs/dbraw/zinc/75/09/19/357750919.db2.gz DDNIWYFBGJQYRE-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000642439384 357754554 /nfs/dbraw/zinc/75/45/54/357754554.db2.gz DJIZJGFLFCOHAK-STQMWFEESA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642439834 357755035 /nfs/dbraw/zinc/75/50/35/357755035.db2.gz OVGAGTIEZKZDPE-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000642439401 357755101 /nfs/dbraw/zinc/75/51/01/357755101.db2.gz FTKWEIPOKSRMRO-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[NH3+] ZINC000642439494 357755154 /nfs/dbraw/zinc/75/51/54/357755154.db2.gz JHMIPPFBRWMXND-NSHDSACASA-N 2 0 270.377 -0.558 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC[NH2+]C ZINC000642439732 357755173 /nfs/dbraw/zinc/75/51/73/357755173.db2.gz OBMQVRZSHAMQIX-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000642440046 357755267 /nfs/dbraw/zinc/75/52/67/357755267.db2.gz WGQAIRUNCBSQAI-STQMWFEESA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000642439709 357755277 /nfs/dbraw/zinc/75/52/77/357755277.db2.gz NRZATDYCVAHVHY-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000642440136 357755668 /nfs/dbraw/zinc/75/56/68/357755668.db2.gz XANHMTGTWCNZEM-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642439939 357755743 /nfs/dbraw/zinc/75/57/43/357755743.db2.gz SIBRXZKRYVRAPY-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000642535598 357756046 /nfs/dbraw/zinc/75/60/46/357756046.db2.gz KYBWJPINHAMHKS-LOWVWBTDSA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642537921 357756077 /nfs/dbraw/zinc/75/60/77/357756077.db2.gz ANHAOYTUMDPNMA-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000642548603 357756102 /nfs/dbraw/zinc/75/61/02/357756102.db2.gz XXQUSVLWJRXPGW-MNOVXSKESA-N 2 0 286.420 -0.068 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642537920 357756645 /nfs/dbraw/zinc/75/66/45/357756645.db2.gz ANHAOYTUMDPNMA-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])C1 ZINC000642640205 357757173 /nfs/dbraw/zinc/75/71/73/357757173.db2.gz OTBZRMDSQYUITL-STQMWFEESA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000642644467 357758162 /nfs/dbraw/zinc/75/81/62/357758162.db2.gz MRULRRHKUMCCRA-RYUDHWBXSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000642718689 357759521 /nfs/dbraw/zinc/75/95/21/357759521.db2.gz HHELTBONFWNCJD-LOWVWBTDSA-N 2 0 294.399 -0.594 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642733287 357760397 /nfs/dbraw/zinc/76/03/97/357760397.db2.gz CJDUIBKVRISUSF-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000642762280 357761158 /nfs/dbraw/zinc/76/11/58/357761158.db2.gz CDYHHNQISLVDSI-UWVGGRQHSA-N 2 0 272.393 -0.458 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000642756038 357761278 /nfs/dbraw/zinc/76/12/78/357761278.db2.gz JPORNQDUYJIYKH-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000642786015 357761857 /nfs/dbraw/zinc/76/18/57/357761857.db2.gz XFOIRNLKUPPLSV-CHWSQXEVSA-N 2 0 294.399 -0.593 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000642785718 357762528 /nfs/dbraw/zinc/76/25/28/357762528.db2.gz FBZGZOXSBGVREV-GFCCVEGCSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000642785689 357762612 /nfs/dbraw/zinc/76/26/12/357762612.db2.gz DKWDNCCFRQVODG-DGCLKSJQSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000642798350 357763764 /nfs/dbraw/zinc/76/37/64/357763764.db2.gz IJCSKWFVIFCIIP-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP O=C(NCC[NH2+]C1CC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000642887426 357764518 /nfs/dbraw/zinc/76/45/18/357764518.db2.gz XDBCMGFMPAJWAA-CHWSQXEVSA-N 2 0 294.399 -0.402 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000642892865 357764697 /nfs/dbraw/zinc/76/46/97/357764697.db2.gz ZVLAUPPRJPUEGC-QWHCGFSZSA-N 2 0 296.415 -0.156 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642902728 357765473 /nfs/dbraw/zinc/76/54/73/357765473.db2.gz YSYNODDTCNHAIR-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000642899017 357765619 /nfs/dbraw/zinc/76/56/19/357765619.db2.gz GHSDAGVEVOHUCJ-CHWSQXEVSA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)[NH3+])C1 ZINC000642908248 357766065 /nfs/dbraw/zinc/76/60/65/357766065.db2.gz MEXQFXYISRKXGX-WDEREUQCSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000642907817 357766161 /nfs/dbraw/zinc/76/61/61/357766161.db2.gz HWLDPHORYNXUDG-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000642909824 357767398 /nfs/dbraw/zinc/76/73/98/357767398.db2.gz VAKOPOAKDWGCJP-LLVKDONJSA-N 2 0 296.371 -0.367 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000642909255 357767565 /nfs/dbraw/zinc/76/75/65/357767565.db2.gz JJNZGWQGQDQQFB-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000642909256 357767874 /nfs/dbraw/zinc/76/78/74/357767874.db2.gz JJNZGWQGQDQQFB-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000642911759 357768314 /nfs/dbraw/zinc/76/83/14/357768314.db2.gz XINFQMNWGNTIMH-SRVKXCTJSA-N 2 0 282.388 -0.417 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[NH3+])C1 ZINC000642910499 357768513 /nfs/dbraw/zinc/76/85/13/357768513.db2.gz HNWDNOCDKRPSKF-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642910722 357768652 /nfs/dbraw/zinc/76/86/52/357768652.db2.gz MCGKMSMQUBTDNJ-LLVKDONJSA-N 2 0 272.393 -0.360 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000642909931 357768897 /nfs/dbraw/zinc/76/88/97/357768897.db2.gz XPUIQYSMCODDLE-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000642916970 357769305 /nfs/dbraw/zinc/76/93/05/357769305.db2.gz SPYDZSQMOXWMOX-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642919110 357770417 /nfs/dbraw/zinc/77/04/17/357770417.db2.gz OMLCRHRVYPXTEM-ZDUSSCGKSA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000642926348 357771013 /nfs/dbraw/zinc/77/10/13/357771013.db2.gz NYPOEEJIFLFNRX-UHFFFAOYSA-N 2 0 270.377 -0.879 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642920080 357771278 /nfs/dbraw/zinc/77/12/78/357771278.db2.gz XPAPRJRFRGEDAX-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000642951337 357772368 /nfs/dbraw/zinc/77/23/68/357772368.db2.gz NQEUYBNOXHJIMJ-VXGBXAGGSA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000642940929 357772788 /nfs/dbraw/zinc/77/27/88/357772788.db2.gz IMKZRCARHDXNFI-RYUDHWBXSA-N 2 0 284.404 -0.314 20 0 CBADRP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000642960480 357773369 /nfs/dbraw/zinc/77/33/69/357773369.db2.gz WTCBRJPZPKZPOS-NWDGAFQWSA-N 2 0 280.372 -0.854 20 0 CBADRP [NH3+]C[C@H](NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000642960483 357773401 /nfs/dbraw/zinc/77/34/01/357773401.db2.gz WTCBRJPZPKZPOS-RYUDHWBXSA-N 2 0 280.372 -0.854 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000642969731 357773460 /nfs/dbraw/zinc/77/34/60/357773460.db2.gz SCFSDMUMWLMUIU-QWHCGFSZSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000642985812 357774747 /nfs/dbraw/zinc/77/47/47/357774747.db2.gz ANOFOHPFEWGLGM-GRYCIOLGSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000643425991 357782263 /nfs/dbraw/zinc/78/22/63/357782263.db2.gz DCPACFOCCAKWNE-DDHJBXDOSA-N 2 0 255.362 -0.193 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000643471958 357784225 /nfs/dbraw/zinc/78/42/25/357784225.db2.gz XTZREIBCBOVNME-GFCCVEGCSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@H](NCC(=O)N1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000643500382 357786181 /nfs/dbraw/zinc/78/61/81/357786181.db2.gz OVIIFZCJBCPBMO-NWDGAFQWSA-N 2 0 254.378 -0.462 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H]1[NH+](C)C ZINC000643520726 357786851 /nfs/dbraw/zinc/78/68/51/357786851.db2.gz GPRPATQBMCTRAH-WUHRBBMRSA-N 2 0 294.399 -0.927 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000643553678 357788390 /nfs/dbraw/zinc/78/83/90/357788390.db2.gz LSFZIZLPFMBLND-QWHCGFSZSA-N 2 0 296.415 -0.075 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000643553675 357788947 /nfs/dbraw/zinc/78/89/47/357788947.db2.gz LSFZIZLPFMBLND-CHWSQXEVSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H]1C[C@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[N@@H+]1C1CC1 ZINC000333136889 291135176 /nfs/dbraw/zinc/13/51/76/291135176.db2.gz CMBWOBWILPHKJS-UKJIMTQDSA-N 2 0 282.388 -0.414 20 0 CBADRP [NH3+][C@H]1C[C@@H]2CN(CCOCC3CC3)CCN2C1=O ZINC000576528362 335215454 /nfs/dbraw/zinc/21/54/54/335215454.db2.gz GRVVDCXPWZWEHE-NEPJUHHUSA-N 2 0 253.346 -0.343 20 0 CBADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)CC(N)=O)CC1 ZINC000341896249 216141750 /nfs/dbraw/zinc/14/17/50/216141750.db2.gz IZAXAYLQPCZDAC-RYUDHWBXSA-N 2 0 256.394 -0.134 20 0 CBADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)CC(N)=O)CC1 ZINC000341896250 216141947 /nfs/dbraw/zinc/14/19/47/216141947.db2.gz IZAXAYLQPCZDAC-VXGBXAGGSA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000423677490 296023056 /nfs/dbraw/zinc/02/30/56/296023056.db2.gz KFGDKRCLMLUGDX-NEPJUHHUSA-N 2 0 284.404 -0.265 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@H]3COCC[NH2+]3)C[C@H]21 ZINC000529390169 283613642 /nfs/dbraw/zinc/61/36/42/283613642.db2.gz SZXZFFCQKBGFBQ-YVECIDJPSA-N 2 0 282.388 -0.256 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000529391328 283614362 /nfs/dbraw/zinc/61/43/62/283614362.db2.gz YTPWJSQJHPPANA-MXWKQRLJSA-N 2 0 256.350 -0.647 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)CC[C@H]1[NH3+] ZINC000529391329 283614950 /nfs/dbraw/zinc/61/49/50/283614950.db2.gz YTPWJSQJHPPANA-OUAUKWLOSA-N 2 0 256.350 -0.647 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNc1cc[nH+]cc1C(N)=O ZINC000302180493 201386169 /nfs/dbraw/zinc/38/61/69/201386169.db2.gz YHSVQOTWHSLOOP-LBPRGKRZSA-N 2 0 252.318 -0.095 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000342687161 216474768 /nfs/dbraw/zinc/47/47/68/216474768.db2.gz AUULDHMKOQCFMY-WDEREUQCSA-N 2 0 271.361 -0.277 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000192109249 189614142 /nfs/dbraw/zinc/61/41/42/189614142.db2.gz PMMGSIIXIBVVDX-CHWSQXEVSA-N 2 0 298.431 -0.018 20 0 CBADRP C[C@]1(C(=O)NCCN2CC[NH2+]CC2)CCCC[NH2+]1 ZINC000237756382 291361788 /nfs/dbraw/zinc/36/17/88/291361788.db2.gz YLUPTFZSTSGIRF-CYBMUJFWSA-N 2 0 254.378 -0.460 20 0 CBADRP C[C@]1(CNC(=O)N2CCOC3(C[NH2+]C3)C2)CCC[NH2+]C1 ZINC000333859714 291383728 /nfs/dbraw/zinc/38/37/28/291383728.db2.gz RUFOZODBHSWPQI-ZDUSSCGKSA-N 2 0 282.388 -0.240 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CC[NH2+]CC1 ZINC000419692078 284053194 /nfs/dbraw/zinc/05/31/94/284053194.db2.gz FQYKMVKKQVXWGN-GFCCVEGCSA-N 2 0 294.399 -0.449 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)CCC2CC[NH2+]CC2)CCO1 ZINC000574320845 335010393 /nfs/dbraw/zinc/01/03/93/335010393.db2.gz IMWGHHPAFCLANF-LBPRGKRZSA-N 2 0 255.362 -0.048 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000424200735 296137645 /nfs/dbraw/zinc/13/76/45/296137645.db2.gz RFZBLBUTPBGBPN-RWMBFGLXSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000353401077 296137210 /nfs/dbraw/zinc/13/72/10/296137210.db2.gz PEZOSKTXADBTGT-QWHCGFSZSA-N 2 0 267.373 -0.177 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000430790829 296138289 /nfs/dbraw/zinc/13/82/89/296138289.db2.gz BEWKYJSHRQCLKN-CHWSQXEVSA-N 2 0 283.372 -0.845 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000331922952 204299652 /nfs/dbraw/zinc/29/96/52/204299652.db2.gz CIYIIHHZRLXDPD-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)CC1=O ZINC000344048789 217028498 /nfs/dbraw/zinc/02/84/98/217028498.db2.gz NWGZVYKFYGBKJW-STQMWFEESA-N 2 0 296.415 -0.536 20 0 CBADRP COCCN1CC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000344215632 217103183 /nfs/dbraw/zinc/10/31/83/217103183.db2.gz SSADHTNVSJSKAR-ZDUSSCGKSA-N 2 0 271.405 -0.247 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000333132203 205056556 /nfs/dbraw/zinc/05/65/56/205056556.db2.gz BWKQDYMDSGSMQF-GXTWGEPZSA-N 2 0 295.431 -0.327 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C[C@@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000132959233 372798823 /nfs/dbraw/zinc/79/88/23/372798823.db2.gz WGXFCODOPYFEJK-IJLUTSLNSA-N 2 0 255.362 -0.036 20 0 CBADRP CC[N@H+](CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1)C1CC1 ZINC000151407294 372803482 /nfs/dbraw/zinc/80/34/82/372803482.db2.gz AJDNPCQDLADIFG-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@@H]([NH3+])C2)CC1=O ZINC000158175423 372808795 /nfs/dbraw/zinc/80/87/95/372808795.db2.gz YAOMPFKKGNVBIW-NWDGAFQWSA-N 2 0 282.388 -0.654 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000353446498 220088892 /nfs/dbraw/zinc/08/88/92/220088892.db2.gz JWPRCAGFIIARHT-RYUDHWBXSA-N 2 0 255.362 -0.096 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000353468487 220100353 /nfs/dbraw/zinc/10/03/53/220100353.db2.gz OHONQRJTAOMHAA-CYBMUJFWSA-N 2 0 285.388 -0.469 20 0 CBADRP C[C@H](CNC(=O)C[C@H]1COCC[NH2+]1)[N@H+](C)C1CC1 ZINC000219992832 372870855 /nfs/dbraw/zinc/87/08/55/372870855.db2.gz OMUNCHJUYCRJHR-MNOVXSKESA-N 2 0 255.362 -0.036 20 0 CBADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)NC(N)=O)C1 ZINC000173894929 284353407 /nfs/dbraw/zinc/35/34/07/284353407.db2.gz CQTKNXDNIGMCPN-SNVBAGLBSA-N 2 0 256.350 -0.155 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000226409790 372876356 /nfs/dbraw/zinc/87/63/56/372876356.db2.gz VFGUULKTPQHEJV-NWDGAFQWSA-N 2 0 254.378 -0.510 20 0 CBADRP CC[N@H+](CCNC(=O)C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000226397970 372876443 /nfs/dbraw/zinc/87/64/43/372876443.db2.gz PTTQQPIGXTWLAT-LBPRGKRZSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000251929871 372897888 /nfs/dbraw/zinc/89/78/88/372897888.db2.gz YQOCELAMSDVQCB-WISYIIOYSA-N 2 0 253.346 -0.596 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)O1 ZINC000261753963 372906365 /nfs/dbraw/zinc/90/63/65/372906365.db2.gz LITJLVFIMCUGJN-MJBXVCDLSA-N 2 0 297.399 -0.327 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CNC(=O)C[NH3+] ZINC000262442670 372909513 /nfs/dbraw/zinc/90/95/13/372909513.db2.gz UVMWCWZGKGXRLX-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263053887 372913933 /nfs/dbraw/zinc/91/39/33/372913933.db2.gz UULRPNBOMDMBPE-IUODEOHRSA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000333350813 205241944 /nfs/dbraw/zinc/24/19/44/205241944.db2.gz JNRPFEQTYPPUFV-IHRRRGAJSA-N 2 0 298.431 -0.062 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000353503560 220122790 /nfs/dbraw/zinc/12/27/90/220122790.db2.gz BWRFCXMFFHJYJM-NWDGAFQWSA-N 2 0 271.361 -0.859 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000353505405 220123302 /nfs/dbraw/zinc/12/33/02/220123302.db2.gz DHZLVZVXXBMJJZ-LBPRGKRZSA-N 2 0 285.388 -0.279 20 0 CBADRP C[NH+](C)CCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000285972033 372949233 /nfs/dbraw/zinc/94/92/33/372949233.db2.gz HIADZHGVDNUEFB-VIFPVBQESA-N 2 0 251.334 -0.222 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000333399266 205287116 /nfs/dbraw/zinc/28/71/16/205287116.db2.gz PSXLHODEYUNWFB-NWDGAFQWSA-N 2 0 270.377 -0.242 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000331403073 372996173 /nfs/dbraw/zinc/99/61/73/372996173.db2.gz DNUGPNFIYZOMEB-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000332065157 373001766 /nfs/dbraw/zinc/00/17/66/373001766.db2.gz RHXGJTLHZQTEBS-JHJVBQTASA-N 2 0 294.399 -0.321 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)[C@H](C)C[NH2+]1 ZINC000333481151 373011478 /nfs/dbraw/zinc/01/14/78/373011478.db2.gz CCRSSUPSXVWPIA-IJLUTSLNSA-N 2 0 270.377 -0.243 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C[C@@H](C)[NH2+]1 ZINC000332600825 373005290 /nfs/dbraw/zinc/00/52/90/373005290.db2.gz CWUCYMRHMJKYGK-UPJWGTAASA-N 2 0 294.399 -0.498 20 0 CBADRP C[C@@H]1CN(C(=O)NCC2([NH3+])CCC2)C[C@H](C)[N@H+]1CCO ZINC000332485083 373006079 /nfs/dbraw/zinc/00/60/79/373006079.db2.gz QKHBKQMKEXUIPQ-TXEJJXNPSA-N 2 0 284.404 -0.036 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333430224 373009680 /nfs/dbraw/zinc/00/96/80/373009680.db2.gz UKYMFWUVUNNATP-XEZLXBQYSA-N 2 0 282.388 -0.557 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333933080 373013930 /nfs/dbraw/zinc/01/39/30/373013930.db2.gz HLMQVDRPMIDCTD-KBPBESRZSA-N 2 0 295.431 -0.230 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000333489726 205367789 /nfs/dbraw/zinc/36/77/89/205367789.db2.gz DCGPISAXVUDIAN-FRRDWIJNSA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[NH+](C)C ZINC000344665812 373060787 /nfs/dbraw/zinc/06/07/87/373060787.db2.gz MMDFSURWQWSXBA-RYUDHWBXSA-N 2 0 284.404 -0.537 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)NCC[NH+](C)C ZINC000342662378 373046809 /nfs/dbraw/zinc/04/68/09/373046809.db2.gz JAIKNVUKQLFTJC-UHFFFAOYSA-N 2 0 260.382 -0.185 20 0 CBADRP CN1CCO[C@@H](CNC(=O)N2CCNC[C@@](C)(F)C2)C1 ZINC000333518327 205398193 /nfs/dbraw/zinc/39/81/93/205398193.db2.gz GJBSHGYOGWRDFV-WCQYABFASA-N 2 0 288.367 -0.340 20 0 CBADRP O=C(CCOC1C[NH2+]C1)NCCC[NH+]1CCCC1 ZINC000348953882 373085067 /nfs/dbraw/zinc/08/50/67/373085067.db2.gz CAHQHCKPMUTCMR-UHFFFAOYSA-N 2 0 255.362 -0.033 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000360836238 373240435 /nfs/dbraw/zinc/24/04/35/373240435.db2.gz YWVGCRCZDJTKLE-OAHLLOKOSA-N 2 0 280.416 -0.164 20 0 CBADRP COCC[NH2+]CC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000361710985 373327541 /nfs/dbraw/zinc/32/75/41/373327541.db2.gz ONGAZPAERMPWJA-CQSZACIVSA-N 2 0 298.431 -0.539 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000361710346 373328109 /nfs/dbraw/zinc/32/81/09/373328109.db2.gz IMQWSYLLCCPCDI-LBPRGKRZSA-N 2 0 261.341 -0.228 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000362448786 373413336 /nfs/dbraw/zinc/41/33/36/373413336.db2.gz SHHKOBDHBUFJHK-ZIAGYGMSSA-N 2 0 282.432 -0.062 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000362388241 373400433 /nfs/dbraw/zinc/40/04/33/373400433.db2.gz FVBXYCUYRCTSFR-ZIAGYGMSSA-N 2 0 282.432 -0.110 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000362761785 373444193 /nfs/dbraw/zinc/44/41/93/373444193.db2.gz BUHIAAKXLAKHAG-UPJWGTAASA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000362761782 373445702 /nfs/dbraw/zinc/44/57/02/373445702.db2.gz BUHIAAKXLAKHAG-AGIUHOORSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000362868558 373457808 /nfs/dbraw/zinc/45/78/08/373457808.db2.gz QFRRDAWNTQQXIM-RYUDHWBXSA-N 2 0 269.389 -0.243 20 0 CBADRP O=C1CNCCN1[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000362677002 373435401 /nfs/dbraw/zinc/43/54/01/373435401.db2.gz WPOMUVAIULHBJR-UONOGXRCSA-N 2 0 280.416 -0.118 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H]1c1ccccc1 ZINC000367140002 373536261 /nfs/dbraw/zinc/53/62/61/373536261.db2.gz BYIAXZOODNNCJG-IGQOVBAYSA-N 2 0 275.352 -0.338 20 0 CBADRP O=C(C1C[NH2+]C1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000367809381 373539043 /nfs/dbraw/zinc/53/90/43/373539043.db2.gz FPWPGZZZXTWNBC-UHFFFAOYSA-N 2 0 267.373 -0.081 20 0 CBADRP C[NH2+]CC(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373039717 373557961 /nfs/dbraw/zinc/55/79/61/373557961.db2.gz LQMQOGKLVVSANJ-LBPRGKRZSA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@@H]1OCC[C@@]12CN(CC(=O)N1CCN(C)CC1)CCO2 ZINC000375926064 373568290 /nfs/dbraw/zinc/56/82/90/373568290.db2.gz CZCFEHDGJOXLON-DZGCQCFKSA-N 2 0 297.399 -0.360 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000417440845 373628061 /nfs/dbraw/zinc/62/80/61/373628061.db2.gz PDXPMNQJKULKRM-NWDGAFQWSA-N 2 0 272.393 -0.057 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417439995 373628259 /nfs/dbraw/zinc/62/82/59/373628259.db2.gz NHENESGDAQYCGW-CHWSQXEVSA-N 2 0 284.404 -0.042 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000417442537 373629112 /nfs/dbraw/zinc/62/91/12/373629112.db2.gz VAMXFOBKNDYTIY-NEPJUHHUSA-N 2 0 272.393 -0.044 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000417439020 373629769 /nfs/dbraw/zinc/62/97/69/373629769.db2.gz KOSQHDHZVVTGHX-LLVKDONJSA-N 2 0 260.382 -0.153 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)N[C@@H](C)CC[NH3+] ZINC000417099429 373630046 /nfs/dbraw/zinc/63/00/46/373630046.db2.gz ZXLVDEAEGYJKCX-NSHDSACASA-N 2 0 260.382 -0.009 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CC2)C[C@@H](C)[NH2+]1 ZINC000419103051 373636274 /nfs/dbraw/zinc/63/62/74/373636274.db2.gz LLXISEDRJJMURL-GHMZBOCLSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419028415 373636476 /nfs/dbraw/zinc/63/64/76/373636476.db2.gz QHIRWTZKKBZAIB-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000419419937 373638857 /nfs/dbraw/zinc/63/88/57/373638857.db2.gz JJHUZCKUYZGBAR-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP [NH3+]CCCNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000419844648 373640587 /nfs/dbraw/zinc/64/05/87/373640587.db2.gz ZXTDIFHUTSZKJZ-UHFFFAOYSA-N 2 0 296.415 -0.072 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419957445 373643234 /nfs/dbraw/zinc/64/32/34/373643234.db2.gz PJQCDAQRLCUCQO-UPJWGTAASA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000420015879 373646828 /nfs/dbraw/zinc/64/68/28/373646828.db2.gz MMXCRGNIWGXGCS-NEPJUHHUSA-N 2 0 284.404 -0.362 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000419982064 373647190 /nfs/dbraw/zinc/64/71/90/373647190.db2.gz SQLQKQYNHIDTAC-CHWSQXEVSA-N 2 0 296.415 -0.219 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419993823 373647204 /nfs/dbraw/zinc/64/72/04/373647204.db2.gz KRVIEHDFDSFJNZ-UPJWGTAASA-N 2 0 296.415 -0.075 20 0 CBADRP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336595 373649332 /nfs/dbraw/zinc/64/93/32/373649332.db2.gz IXVYHFDFMLNHRN-MNOVXSKESA-N 2 0 268.361 -0.237 20 0 CBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423235083 373655303 /nfs/dbraw/zinc/65/53/03/373655303.db2.gz GFUSCUOMVQBBLF-LBPRGKRZSA-N 2 0 296.415 -0.251 20 0 CBADRP CN(C(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000423273625 373656018 /nfs/dbraw/zinc/65/60/18/373656018.db2.gz LFXLXJWDGVMOFV-DGCLKSJQSA-N 2 0 294.399 -0.369 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000423677492 373660787 /nfs/dbraw/zinc/66/07/87/373660787.db2.gz KFGDKRCLMLUGDX-NWDGAFQWSA-N 2 0 284.404 -0.265 20 0 CBADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000423766837 373663486 /nfs/dbraw/zinc/66/34/86/373663486.db2.gz CYHWWRZJDXRZBO-SDDRHHMPSA-N 2 0 257.378 -0.054 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])C[NH+]1CCN(C)CC1 ZINC000424159123 373664720 /nfs/dbraw/zinc/66/47/20/373664720.db2.gz UVNIRQYWFNBHLU-TUAOUCFPSA-N 2 0 254.378 -0.667 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)CCO1 ZINC000424160469 373665500 /nfs/dbraw/zinc/66/55/00/373665500.db2.gz WVAIHMVJGSMPBF-MNOVXSKESA-N 2 0 293.371 -0.324 20 0 CBADRP CC(C)[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[C@H](C)[NH3+] ZINC000514937120 373770957 /nfs/dbraw/zinc/77/09/57/373770957.db2.gz GEMLPUSILXVMEA-XQQFMLRXSA-N 2 0 298.431 -0.081 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(CCOCC(F)(F)F)CCN2C1=O ZINC000515071603 373777091 /nfs/dbraw/zinc/77/70/91/373777091.db2.gz BBSCOHBDIZVHLJ-DTWKUNHWSA-N 2 0 281.278 -0.191 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000516463178 373812242 /nfs/dbraw/zinc/81/22/42/373812242.db2.gz UCTMMJAZMHBNJP-SRVKXCTJSA-N 2 0 283.372 -0.181 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000516492618 373813462 /nfs/dbraw/zinc/81/34/62/373813462.db2.gz QCNVKYWAESPGAS-UHFFFAOYSA-N 2 0 289.339 -0.242 20 0 CBADRP C[NH2+]CC1CC[NH+](CC(=O)NCCC(=O)OC)CC1 ZINC000516570722 373816754 /nfs/dbraw/zinc/81/67/54/373816754.db2.gz FITBMKYCRAFSDT-UHFFFAOYSA-N 2 0 271.361 -0.403 20 0 CBADRP CCNC(=O)CN1CCCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000516651638 373818108 /nfs/dbraw/zinc/81/81/08/373818108.db2.gz HFGQHKFYWKZBQS-HNNXBMFYSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000519771893 373822982 /nfs/dbraw/zinc/82/29/82/373822982.db2.gz JPVDVQBEAOVCTO-STQMWFEESA-N 2 0 268.405 -0.133 20 0 CBADRP NC(=O)c1cnccc1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000519803313 373825580 /nfs/dbraw/zinc/82/55/80/373825580.db2.gz ZBZVWYHEDGLNMG-NSHDSACASA-N 2 0 278.356 -0.139 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1C[NH2+]CCCO1 ZINC000520228438 373830228 /nfs/dbraw/zinc/83/02/28/373830228.db2.gz MAFLZMOEZAVCRE-QWRGUYRKSA-N 2 0 273.402 -0.424 20 0 CBADRP CC1(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C[NH2+]C1 ZINC000520806548 373833995 /nfs/dbraw/zinc/83/39/95/373833995.db2.gz VRKMEQGTBUUYGM-SNVBAGLBSA-N 2 0 268.361 -0.948 20 0 CBADRP [NH3+]CCc1ccccc1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000515308034 373781888 /nfs/dbraw/zinc/78/18/88/373781888.db2.gz QRLJAAOUCDQPCS-LBPRGKRZSA-N 2 0 263.341 -0.094 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000515520882 373791502 /nfs/dbraw/zinc/79/15/02/373791502.db2.gz BEUBQULZEVTXJI-VXGBXAGGSA-N 2 0 271.409 -0.389 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)[NH+](C)C ZINC000521269467 373841248 /nfs/dbraw/zinc/84/12/48/373841248.db2.gz ARHPMUZDSNHLBC-VXGBXAGGSA-N 2 0 286.420 -0.245 20 0 CBADRP C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)[NH+]1CC(C)C1 ZINC000521456874 373843368 /nfs/dbraw/zinc/84/33/68/373843368.db2.gz IKQQZTYUEQWSTR-QWHCGFSZSA-N 2 0 296.415 -0.217 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1([NH3+])CCC1 ZINC000521997955 373856767 /nfs/dbraw/zinc/85/67/67/373856767.db2.gz AYKZTUPDAIVDRO-SNVBAGLBSA-N 2 0 268.361 -0.676 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000522147328 373861080 /nfs/dbraw/zinc/86/10/80/373861080.db2.gz BJPFKQHXQWANQW-OLZOCXBDSA-N 2 0 296.415 -0.358 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000522102669 373861390 /nfs/dbraw/zinc/86/13/90/373861390.db2.gz RJPGIHHWAWBYHK-KBPBESRZSA-N 2 0 297.447 -0.127 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH+]1CCN(C)CC1 ZINC000522266324 373867573 /nfs/dbraw/zinc/86/75/73/373867573.db2.gz IFDRUVDGVGODSF-KGLIPLIRSA-N 2 0 282.432 -0.062 20 0 CBADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2CCC[N@H+](CCCO)C2)O1 ZINC000527553440 373926754 /nfs/dbraw/zinc/92/67/54/373926754.db2.gz MAYXQFQZKPFMSM-HZSPNIEDSA-N 2 0 299.415 -0.332 20 0 CBADRP CCC[NH+]1CCC(Nc2nc(N)[nH+]c(N)n2)CC1 ZINC000527833015 373936360 /nfs/dbraw/zinc/93/63/60/373936360.db2.gz PKEOTBJKCUDKOZ-UHFFFAOYSA-N 2 0 251.338 -0.595 20 0 CBADRP C[NH+]1CCC(NC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529282651 373996354 /nfs/dbraw/zinc/99/63/54/373996354.db2.gz KULPSZDPVSWTBZ-NSHDSACASA-N 2 0 256.350 -0.632 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000529329946 374001883 /nfs/dbraw/zinc/00/18/83/374001883.db2.gz MQZSUPNPUZPMRX-GFCCVEGCSA-N 2 0 297.403 -0.942 20 0 CBADRP [NH3+]C1CCC(NC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529333875 374003748 /nfs/dbraw/zinc/00/37/48/374003748.db2.gz OEZLQXJPPTVYEQ-ILDUYXDCSA-N 2 0 256.350 -0.456 20 0 CBADRP [NH3+]CC1(NC(=O)N[C@H]2CCC[NH2+]C2)CCOCC1 ZINC000529331695 374004485 /nfs/dbraw/zinc/00/44/85/374004485.db2.gz BNJAXBDRQDZDEU-JTQLQIEISA-N 2 0 256.350 -0.455 20 0 CBADRP [NH3+]Cc1ccc(CNC(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000529338119 374006187 /nfs/dbraw/zinc/00/61/87/374006187.db2.gz BBUZRNGPDIBWAM-ZDUSSCGKSA-N 2 0 278.356 -0.067 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529341032 374006518 /nfs/dbraw/zinc/00/65/18/374006518.db2.gz UPSCNGHFOWRSRV-YTWAJWBKSA-N 2 0 250.346 -0.212 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000529339592 374006740 /nfs/dbraw/zinc/00/67/40/374006740.db2.gz LOHCTVYIFIABFG-RKDXNWHRSA-N 2 0 278.303 -0.729 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000529346331 374008300 /nfs/dbraw/zinc/00/83/00/374008300.db2.gz ZGMGWKRLIUAWKO-VXGBXAGGSA-N 2 0 270.377 -0.386 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CCO1 ZINC000529350616 374008354 /nfs/dbraw/zinc/00/83/54/374008354.db2.gz PIHMPJDBXDYDLZ-QWRGUYRKSA-N 2 0 268.361 -0.360 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000529343206 374008482 /nfs/dbraw/zinc/00/84/82/374008482.db2.gz VTABKPXCNCBDKA-GHMZBOCLSA-N 2 0 270.377 -0.209 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529343576 374009101 /nfs/dbraw/zinc/00/91/01/374009101.db2.gz QFFWQPHQOXIBAJ-GHMZBOCLSA-N 2 0 268.361 -0.441 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000529346330 374009364 /nfs/dbraw/zinc/00/93/64/374009364.db2.gz ZGMGWKRLIUAWKO-RYUDHWBXSA-N 2 0 270.377 -0.386 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529373579 374015942 /nfs/dbraw/zinc/01/59/42/374015942.db2.gz FZPNDDOWGSKVHQ-CYBMUJFWSA-N 2 0 284.404 -0.042 20 0 CBADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529376196 374018310 /nfs/dbraw/zinc/01/83/10/374018310.db2.gz QHLVZNPCCPMNRP-CHWSQXEVSA-N 2 0 284.404 -0.044 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529378667 374019902 /nfs/dbraw/zinc/01/99/02/374019902.db2.gz XTOFVPOBJAIINS-STQMWFEESA-N 2 0 284.404 -0.042 20 0 CBADRP C[NH+](C)CCn1nccc1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000528694995 373976496 /nfs/dbraw/zinc/97/64/96/373976496.db2.gz PJRJCWBPQYNFRY-LLVKDONJSA-N 2 0 296.375 -0.445 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N1CC[NH+](C2CCC2)CC1 ZINC000529383330 374022420 /nfs/dbraw/zinc/02/24/20/374022420.db2.gz WJOWJTRFGUKGCL-LBPRGKRZSA-N 2 0 282.388 -0.146 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529387857 374024939 /nfs/dbraw/zinc/02/49/39/374024939.db2.gz MVYKDTGEUXDENF-GHMZBOCLSA-N 2 0 256.350 -0.632 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000529388369 374026476 /nfs/dbraw/zinc/02/64/76/374026476.db2.gz NVKNPYMYTNFDAW-GXTWGEPZSA-N 2 0 282.388 -0.240 20 0 CBADRP CC(=O)NCC(=O)N1CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC000530205238 374066134 /nfs/dbraw/zinc/06/61/34/374066134.db2.gz FRCRQFLZORWMTA-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP O=C(N1CC[NH2+]CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000530220749 374066512 /nfs/dbraw/zinc/06/65/12/374066512.db2.gz CKQHEWGXMCFIHM-ZDUSSCGKSA-N 2 0 282.388 -0.334 20 0 CBADRP C[NH2+]CCCN1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530224594 374066660 /nfs/dbraw/zinc/06/66/60/374066660.db2.gz SZYULIGAVHFXOO-UHFFFAOYSA-N 2 0 269.393 -0.761 20 0 CBADRP CNC(=O)NC[C@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000530231622 374069586 /nfs/dbraw/zinc/06/95/86/374069586.db2.gz SAEULGGORZCAEA-NEPJUHHUSA-N 2 0 270.377 -0.384 20 0 CBADRP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239339 374069911 /nfs/dbraw/zinc/06/99/11/374069911.db2.gz RYCMYJNTFMMVRR-ZYHUDNBSSA-N 2 0 298.387 -0.340 20 0 CBADRP CC(=O)N1CC[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000530680593 374093642 /nfs/dbraw/zinc/09/36/42/374093642.db2.gz NMNRCGZJCXMRQJ-CQSZACIVSA-N 2 0 298.431 -0.193 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(C(N)=O)o1 ZINC000532637243 374170723 /nfs/dbraw/zinc/17/07/23/374170723.db2.gz SWZBGBIWMDGLMF-UHFFFAOYSA-N 2 0 296.371 -0.056 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1CC1 ZINC000548819377 374217482 /nfs/dbraw/zinc/21/74/82/374217482.db2.gz VLPWEURWIQIYBJ-UHFFFAOYSA-N 2 0 284.404 -0.536 20 0 CBADRP NC(=O)NC(=O)CC[NH2+]CCCC[NH+]1CCOCC1 ZINC000554596781 374279052 /nfs/dbraw/zinc/27/90/52/374279052.db2.gz DKDISTADEZVZBY-UHFFFAOYSA-N 2 0 272.349 -0.727 20 0 CBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)C[C@H]1C ZINC000571658936 374335820 /nfs/dbraw/zinc/33/58/20/374335820.db2.gz XJWQUXCLWKGXEE-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000571658937 374336536 /nfs/dbraw/zinc/33/65/36/374336536.db2.gz XJWQUXCLWKGXEE-RWMBFGLXSA-N 2 0 296.415 -0.204 20 0 CBADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000580706221 374355381 /nfs/dbraw/zinc/35/53/81/374355381.db2.gz LFBIUGWGXGHXER-LBPRGKRZSA-N 2 0 294.399 -0.735 20 0 CBADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000580706210 374355485 /nfs/dbraw/zinc/35/54/85/374355485.db2.gz LFBIUGWGXGHXER-GFCCVEGCSA-N 2 0 294.399 -0.735 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])[C@H](C[NH3+])C1 ZINC000583311916 374360541 /nfs/dbraw/zinc/36/05/41/374360541.db2.gz HPZSDJCLNMAQGJ-JHJVBQTASA-N 2 0 283.420 -0.212 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])[C@@H](C[NH3+])C1 ZINC000583311915 374361784 /nfs/dbraw/zinc/36/17/84/374361784.db2.gz HPZSDJCLNMAQGJ-FRRDWIJNSA-N 2 0 283.420 -0.212 20 0 CBADRP C[C@H](Cn1cncn1)[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000583494794 374363540 /nfs/dbraw/zinc/36/35/40/374363540.db2.gz GIZKZIWVMBGPJR-MQYQWHSLSA-N 2 0 297.403 -0.274 20 0 CBADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)C[C@H]1COCC[NH2+]1 ZINC000583811621 374367642 /nfs/dbraw/zinc/36/76/42/374367642.db2.gz MMVXTVVIMLDGTM-UEGILFFDSA-N 2 0 267.373 -0.003 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000577949426 374346369 /nfs/dbraw/zinc/34/63/69/374346369.db2.gz LXYHPZUPQWKRSR-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH2+]CCOC3)[C@H]2C1 ZINC000643794221 374421875 /nfs/dbraw/zinc/42/18/75/374421875.db2.gz LXTKIYZONQWVEL-AGIUHOORSA-N 2 0 267.373 -0.225 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn(CCC[NH3+])nn2)C[C@@H](C)[NH2+]1 ZINC000644087201 374487921 /nfs/dbraw/zinc/48/79/21/374487921.db2.gz XPXUGNQFLBLPOJ-NXEZZACHSA-N 2 0 266.349 -0.551 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000644124053 374490655 /nfs/dbraw/zinc/49/06/55/374490655.db2.gz JXWFZIXIVSRDDS-WDEREUQCSA-N 2 0 270.377 -0.573 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC000644144760 374493772 /nfs/dbraw/zinc/49/37/72/374493772.db2.gz LZMVXLXLYWAHTB-BXUZGUMPSA-N 2 0 267.373 -0.129 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1C[NH2+]CCC1(F)F ZINC000644161137 374496956 /nfs/dbraw/zinc/49/69/56/374496956.db2.gz QKVQTTMSLMYOFK-IUCAKERBSA-N 2 0 263.288 -0.664 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1C[NH2+]CCC1(F)F ZINC000644161138 374497025 /nfs/dbraw/zinc/49/70/25/374497025.db2.gz QKVQTTMSLMYOFK-RKDXNWHRSA-N 2 0 263.288 -0.664 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H](O)CC(C)(C)C)CC1 ZINC000574519339 335026121 /nfs/dbraw/zinc/02/61/21/335026121.db2.gz ONKCIGMRHYBKBN-KBPBESRZSA-N 2 0 287.448 -0.019 20 0 CBADRP CC(C)N1C[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1=O ZINC000644536098 374590542 /nfs/dbraw/zinc/59/05/42/374590542.db2.gz XIQBSXZTAMATSR-KGLIPLIRSA-N 2 0 298.431 -0.806 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000644554025 374592548 /nfs/dbraw/zinc/59/25/48/374592548.db2.gz FMYCYTITOFWGIG-TZMCWYRMSA-N 2 0 271.405 -0.248 20 0 CBADRP CCOC[C@H](O)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000644562346 374594593 /nfs/dbraw/zinc/59/45/93/374594593.db2.gz KPMIKCWVBYOQET-CYBMUJFWSA-N 2 0 273.421 -0.001 20 0 CBADRP [NH3+]CCOCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645104428 374643817 /nfs/dbraw/zinc/64/38/17/374643817.db2.gz MVFXRLKZGNHPKT-VXGBXAGGSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)COCC[NH3+])C[C@H](C)O1 ZINC000645299446 374658790 /nfs/dbraw/zinc/65/87/90/374658790.db2.gz NXFHHUQUKMDJAN-TXEJJXNPSA-N 2 0 273.377 -0.423 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)CCOC2C[NH2+]C2)cn1 ZINC000645803283 374700723 /nfs/dbraw/zinc/70/07/23/374700723.db2.gz NDFDXBXDEPYPCD-UHFFFAOYSA-N 2 0 281.360 -0.238 20 0 CBADRP O=C(NCCNc1cc[nH+]cc1)[C@@H]1C[NH2+]CCO1 ZINC000645643568 374688654 /nfs/dbraw/zinc/68/86/54/374688654.db2.gz YELLZSMLSBRRSG-NSHDSACASA-N 2 0 250.302 -0.980 20 0 CBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)COCC[NH3+])C1 ZINC000646139997 374747157 /nfs/dbraw/zinc/74/71/57/374747157.db2.gz MJAJRFFCKPNRAQ-ZDUSSCGKSA-N 2 0 287.404 -0.079 20 0 CBADRP COC1CC[NH+](CCNC(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000646180768 374750831 /nfs/dbraw/zinc/75/08/31/374750831.db2.gz ANMCSYKJGBDBRD-CQSZACIVSA-N 2 0 299.415 -0.018 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646216776 374758972 /nfs/dbraw/zinc/75/89/72/374758972.db2.gz WDTCMYCULGNVMZ-NAKRPEOUSA-N 2 0 258.366 -0.130 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000645869901 374709465 /nfs/dbraw/zinc/70/94/65/374709465.db2.gz ZJWTUMCLLRCANC-VXGBXAGGSA-N 2 0 296.415 -0.312 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000645869900 374710163 /nfs/dbraw/zinc/71/01/63/374710163.db2.gz ZJWTUMCLLRCANC-RYUDHWBXSA-N 2 0 296.415 -0.312 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000645891280 374711339 /nfs/dbraw/zinc/71/13/39/374711339.db2.gz NQMJKTSVAPLPNZ-STQMWFEESA-N 2 0 294.399 -0.449 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000645951650 374716538 /nfs/dbraw/zinc/71/65/38/374716538.db2.gz VEUJLCYBLUBCSL-QWRGUYRKSA-N 2 0 255.362 -0.179 20 0 CBADRP COCC[NH2+]CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953169 374716706 /nfs/dbraw/zinc/71/67/06/374716706.db2.gz FXHCSLWYIOQKER-GFCCVEGCSA-N 2 0 255.362 -0.177 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953155 374717046 /nfs/dbraw/zinc/71/70/46/374717046.db2.gz FLMKBXLPNXJMSQ-OLZOCXBDSA-N 2 0 294.399 -0.545 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953156 374717205 /nfs/dbraw/zinc/71/72/05/374717205.db2.gz FLMKBXLPNXJMSQ-QWHCGFSZSA-N 2 0 294.399 -0.545 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000645951649 374717719 /nfs/dbraw/zinc/71/77/19/374717719.db2.gz VEUJLCYBLUBCSL-MNOVXSKESA-N 2 0 255.362 -0.179 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953289 374717767 /nfs/dbraw/zinc/71/77/67/374717767.db2.gz OAXXBVMMDODZJA-NEPJUHHUSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953213 374717879 /nfs/dbraw/zinc/71/78/79/374717879.db2.gz IVGKYPYKEBIEEY-OLZOCXBDSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH2+]CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000645977965 374720522 /nfs/dbraw/zinc/72/05/22/374720522.db2.gz OWVFOAAPYGDFAE-LLVKDONJSA-N 3 0 254.378 -0.510 20 0 CBADRP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645978124 374721067 /nfs/dbraw/zinc/72/10/67/374721067.db2.gz SNOMYCKMLFPCEN-VXGBXAGGSA-N 3 0 268.405 -0.134 20 0 CBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H]3CC[NH2+]3)C2)CC1 ZINC000645977749 374721135 /nfs/dbraw/zinc/72/11/35/374721135.db2.gz KYWVUKOKOKEHRG-DGCLKSJQSA-N 3 0 266.389 -0.367 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009545 374726985 /nfs/dbraw/zinc/72/69/85/374726985.db2.gz QQHFCXXCKJCPEO-UONOGXRCSA-N 2 0 298.431 -0.508 20 0 CBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH2+]1 ZINC000646009385 374727280 /nfs/dbraw/zinc/72/72/80/374727280.db2.gz GBADWKJXQVJBPH-ZIAGYGMSSA-N 2 0 296.415 -0.739 20 0 CBADRP [NH3+]C1(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCC1 ZINC000646009506 374727811 /nfs/dbraw/zinc/72/78/11/374727811.db2.gz OIDJXNAJKYOCHV-CYBMUJFWSA-N 2 0 296.415 -0.610 20 0 CBADRP C[NH+]1CCC2(CC1)CN(CC(=O)N1CCOCC1)CCO2 ZINC000646102182 374740242 /nfs/dbraw/zinc/74/02/42/374740242.db2.gz DPIWYXQKVWHGNO-UHFFFAOYSA-N 2 0 297.399 -0.358 20 0 CBADRP CCNC(=O)CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102427 374740328 /nfs/dbraw/zinc/74/03/28/374740328.db2.gz JNXGDTLSQPWITM-UHFFFAOYSA-N 2 0 255.362 -0.081 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)NC[C@H]2CCCC[NH2+]2)nn1 ZINC000646650539 374799572 /nfs/dbraw/zinc/79/95/72/374799572.db2.gz BLCDAEUKGLWERG-LLVKDONJSA-N 2 0 280.376 -0.111 20 0 CBADRP O=C(NC[C@@H]1CCCC[NH2+]1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000646651353 374799972 /nfs/dbraw/zinc/79/99/72/374799972.db2.gz XPSSOMBCTLTACD-RYUDHWBXSA-N 2 0 292.387 -0.098 20 0 CBADRP [NH3+]CC1(CC(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)CC1 ZINC000646801478 374815727 /nfs/dbraw/zinc/81/57/27/374815727.db2.gz JFXDHEWDQMGJMN-UHFFFAOYSA-N 2 0 279.348 -0.718 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000646833188 374821731 /nfs/dbraw/zinc/82/17/31/374821731.db2.gz NIYBDIZYCRIQMU-MELADBBJSA-N 2 0 280.416 -0.277 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[C@@H](C[NH3+])C1 ZINC000646833247 374822547 /nfs/dbraw/zinc/82/25/47/374822547.db2.gz XSAHSPCFHDRGCZ-GMXVVIOVSA-N 2 0 252.362 -0.913 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@@H](C[NH3+])C1 ZINC000646833249 374822622 /nfs/dbraw/zinc/82/26/22/374822622.db2.gz XSAHSPCFHDRGCZ-GVXVVHGQSA-N 2 0 252.362 -0.913 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)c1cn(CCC[NH3+])nn1 ZINC000646837257 374823661 /nfs/dbraw/zinc/82/36/61/374823661.db2.gz NXPUSTDRKKVKME-JTQLQIEISA-N 2 0 268.365 -0.126 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)COC2CCC([NH3+])CC2)CCO1 ZINC000646844185 374825597 /nfs/dbraw/zinc/82/55/97/374825597.db2.gz PQBOETZONWSQTN-WTIISPKJSA-N 2 0 285.388 -0.153 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@H]2CSCC[NH2+]2)CCO1 ZINC000646843026 374825654 /nfs/dbraw/zinc/82/56/54/374825654.db2.gz GPOZNNVYPWZADM-DCAQKATOSA-N 2 0 273.402 -0.344 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)CC[C@H]2CC[NH2+]C2)CCO1 ZINC000646844481 374825760 /nfs/dbraw/zinc/82/57/60/374825760.db2.gz VCURCLRQBVMVJO-SDDRHHMPSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(C)(C)N2CC[NH2+]CC2)CCO1 ZINC000646844028 374825897 /nfs/dbraw/zinc/82/58/97/374825897.db2.gz NXIAOELINUFKFR-NWDGAFQWSA-N 2 0 284.404 -0.755 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646851023 374826950 /nfs/dbraw/zinc/82/69/50/374826950.db2.gz MRWJUNQRSIHEMJ-NOOOWODRSA-N 2 0 255.362 -0.051 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646851022 374827173 /nfs/dbraw/zinc/82/71/73/374827173.db2.gz MRWJUNQRSIHEMJ-FIQHERPVSA-N 2 0 255.362 -0.051 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[NH2+]C1 ZINC000646338257 374771102 /nfs/dbraw/zinc/77/11/02/374771102.db2.gz GELASMNFLXJDCD-SCRDCRAPSA-N 2 0 267.373 -0.177 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646336177 374771251 /nfs/dbraw/zinc/77/12/51/374771251.db2.gz KAMXUSDASAWSMX-TUAOUCFPSA-N 2 0 280.372 -0.935 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646336214 374771289 /nfs/dbraw/zinc/77/12/89/374771289.db2.gz LGVDKLZUZDGLOM-CMPLNLGQSA-N 2 0 253.346 -0.425 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646336383 374771300 /nfs/dbraw/zinc/77/13/00/374771300.db2.gz QSHCVWNBZOAPAP-AVGNSLFASA-N 2 0 294.399 -0.545 20 0 CBADRP CC(C)(C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[NH2+]CC1 ZINC000646336001 374771333 /nfs/dbraw/zinc/77/13/33/374771333.db2.gz FLTDEBXLWRVIIF-QWHCGFSZSA-N 2 0 280.416 -0.119 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)C1CCC1 ZINC000646350129 374772157 /nfs/dbraw/zinc/77/21/57/374772157.db2.gz BSBBTACPADXCCZ-OLZOCXBDSA-N 2 0 266.389 -0.380 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000646351304 374772771 /nfs/dbraw/zinc/77/27/71/374772771.db2.gz JJQMTWXOEMLMIZ-RYUDHWBXSA-N 2 0 266.389 -0.510 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000646351081 374772795 /nfs/dbraw/zinc/77/27/95/374772795.db2.gz CNJXHUHSQWXISZ-OLZOCXBDSA-N 2 0 268.405 -0.119 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CCC2(CC[NH2+]C2)CC1 ZINC000646372433 374776070 /nfs/dbraw/zinc/77/60/70/374776070.db2.gz JPUIGWOMXACVAR-LBPRGKRZSA-N 2 0 267.373 -0.033 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646384165 374776087 /nfs/dbraw/zinc/77/60/87/374776087.db2.gz FSYRBIFEJFWDKR-RYUDHWBXSA-N 2 0 282.388 -0.701 20 0 CBADRP C[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000646408242 374776188 /nfs/dbraw/zinc/77/61/88/374776188.db2.gz VSVOZVMSNPQVGT-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)[NH+](C)C ZINC000646427273 374777338 /nfs/dbraw/zinc/77/73/38/374777338.db2.gz XLCJCPFFEPYMSG-MNOVXSKESA-N 2 0 280.376 -0.290 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000646467413 374781454 /nfs/dbraw/zinc/78/14/54/374781454.db2.gz GPOXQEGLLJITAF-RYUDHWBXSA-N 2 0 255.362 -0.083 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NCC[N@@H+]1CCCOCC1 ZINC000646505233 374782818 /nfs/dbraw/zinc/78/28/18/374782818.db2.gz FLVXCXOYKCSTRE-LBPRGKRZSA-N 2 0 271.361 -0.797 20 0 CBADRP [NH3+]Cc1ccc(C(=O)NCCCN2CC[NH2+]CC2)o1 ZINC000646575413 374790454 /nfs/dbraw/zinc/79/04/54/374790454.db2.gz DVISBVNPKUJEGK-UHFFFAOYSA-N 2 0 266.345 -0.237 20 0 CBADRP [NH3+][C@H](Cc1ccccc1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000646575424 374790528 /nfs/dbraw/zinc/79/05/28/374790528.db2.gz FLEULVWJRCRVGD-OAHLLOKOSA-N 2 0 290.411 -0.032 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N[C@H]1C[NH2+]CCC1(F)F ZINC000647075779 374879344 /nfs/dbraw/zinc/87/93/44/374879344.db2.gz NNJJKZHQJLOUNJ-IUCAKERBSA-N 2 0 263.288 -0.522 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000647082027 374882154 /nfs/dbraw/zinc/88/21/54/374882154.db2.gz BTWAOMRRVWJYQM-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647086677 374884613 /nfs/dbraw/zinc/88/46/13/374884613.db2.gz VPRNOZYJGDJOOJ-RWMBFGLXSA-N 2 0 267.373 -0.273 20 0 CBADRP COC[C@]1(C(=O)N2CCCO[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000647088952 374886167 /nfs/dbraw/zinc/88/61/67/374886167.db2.gz BSDCDNKZMSOZEL-YPMHNXCESA-N 2 0 271.361 -0.811 20 0 CBADRP COCC[NH2+]CCNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000646906016 374836947 /nfs/dbraw/zinc/83/69/47/374836947.db2.gz OUZNZVFPZMTPLO-ZDUSSCGKSA-N 2 0 295.387 -0.227 20 0 CBADRP [NH3+]CCN(Cc1ccccc1)C(=O)CNC(=O)C[NH3+] ZINC000646969190 374853043 /nfs/dbraw/zinc/85/30/43/374853043.db2.gz MWLKPMBRDYRJER-UHFFFAOYSA-N 2 0 264.329 -0.951 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000646979519 374856169 /nfs/dbraw/zinc/85/61/69/374856169.db2.gz UBQFCRIBUDSBOB-GRYCIOLGSA-N 2 0 282.388 -0.641 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]CC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000646985100 374856371 /nfs/dbraw/zinc/85/63/71/374856371.db2.gz NBJWDWBAGPLWSA-RYUDHWBXSA-N 2 0 292.387 -0.098 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000646998019 374858738 /nfs/dbraw/zinc/85/87/38/374858738.db2.gz CJZNRQKVAXGZFD-UTUOFQBUSA-N 2 0 282.388 -0.369 20 0 CBADRP CC[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[C@H]1[NH3+] ZINC000647014969 374860538 /nfs/dbraw/zinc/86/05/38/374860538.db2.gz DQGXTNGIJWLKGV-UPJWGTAASA-N 2 0 296.415 -0.170 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000647017885 374860587 /nfs/dbraw/zinc/86/05/87/374860587.db2.gz GGHBMTDABDYZQZ-QWHCGFSZSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000647016143 374860638 /nfs/dbraw/zinc/86/06/38/374860638.db2.gz QYZIYRJMCCJKJJ-SRVKXCTJSA-N 2 0 282.388 -0.499 20 0 CBADRP C[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H](C)C[NH2+]1 ZINC000574569214 335030016 /nfs/dbraw/zinc/03/00/16/335030016.db2.gz LFEMCNSJFHCQMS-MXWKQRLJSA-N 2 0 268.361 -0.937 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000376200184 284507488 /nfs/dbraw/zinc/50/74/88/284507488.db2.gz TXNIKMKAUGDAIN-XQQFMLRXSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)C[C@H]1C[NH3+] ZINC000574637051 335035892 /nfs/dbraw/zinc/03/58/92/335035892.db2.gz QTMIUPZGXMEAPT-IJLUTSLNSA-N 2 0 255.362 -0.192 20 0 CBADRP C[C@@]1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCC[NH2+]1 ZINC000574639003 335036252 /nfs/dbraw/zinc/03/62/52/335036252.db2.gz PVDCFUFPYMSRTJ-JSGCOSHPSA-N 2 0 266.389 -0.365 20 0 CBADRP CN[C@@H](C(=O)N[C@@H](C)CN1CCOCC1)c1cnn(C)c1 ZINC000262532629 190057020 /nfs/dbraw/zinc/05/70/20/190057020.db2.gz MFBZLXHDDCPTFB-WCQYABFASA-N 2 0 295.387 -0.483 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000517028474 261708189 /nfs/dbraw/zinc/70/81/89/261708189.db2.gz GSUZKPKXFACVPH-OLZOCXBDSA-N 2 0 266.389 -0.365 20 0 CBADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NC(=O)NC1CC1 ZINC000312660446 248168132 /nfs/dbraw/zinc/16/81/32/248168132.db2.gz GWROFMINXWDCPS-PHIMTYICSA-N 2 0 280.372 -0.094 20 0 CBADRP C[C@H](O)CN1CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC000356466655 248255571 /nfs/dbraw/zinc/25/55/71/248255571.db2.gz UATNOVJFAOOSRT-NSHDSACASA-N 2 0 266.345 -0.133 20 0 CBADRP C[C@@H]1C[N@H+](CCOCC[NH3+])C[C@@H]1N1CCOCC1 ZINC000357082079 248319042 /nfs/dbraw/zinc/31/90/42/248319042.db2.gz OOCJJNKGPYKNPE-OLZOCXBDSA-N 2 0 257.378 -0.386 20 0 CBADRP C[C@@H]1C[N@H+](CCOCC[NH3+])C[C@H]1N1CCOCC1 ZINC000357082076 248319134 /nfs/dbraw/zinc/31/91/34/248319134.db2.gz OOCJJNKGPYKNPE-CHWSQXEVSA-N 2 0 257.378 -0.386 20 0 CBADRP CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000357100417 248322950 /nfs/dbraw/zinc/32/29/50/248322950.db2.gz FILAHZPYLDKELR-LBPRGKRZSA-N 2 0 293.433 -0.245 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C[C@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000357171360 248328269 /nfs/dbraw/zinc/32/82/69/248328269.db2.gz FOEQZWDXNRQKSC-MJBXVCDLSA-N 2 0 299.415 -0.020 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000357229361 248338599 /nfs/dbraw/zinc/33/85/99/248338599.db2.gz VVDPTTXGYLOHJI-CYBMUJFWSA-N 2 0 297.399 -0.312 20 0 CBADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000368124659 248759331 /nfs/dbraw/zinc/75/93/31/248759331.db2.gz IRBVGBWUPHHYMM-QWHCGFSZSA-N 2 0 268.405 -0.358 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000574680993 335039011 /nfs/dbraw/zinc/03/90/11/335039011.db2.gz WPKQHVCGTASUHM-CHWSQXEVSA-N 2 0 283.420 -0.374 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653127642 412885248 /nfs/dbraw/zinc/88/52/48/412885248.db2.gz QLCRIMUAMGCACB-RYUDHWBXSA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000653129908 412885450 /nfs/dbraw/zinc/88/54/50/412885450.db2.gz NONWCSYXQILUDZ-RNJOBUHISA-N 2 0 268.405 -0.149 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574692563 335040261 /nfs/dbraw/zinc/04/02/61/335040261.db2.gz ZKYKHBANYDQVLX-ZFWWWQNUSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653131344 412884934 /nfs/dbraw/zinc/88/49/34/412884934.db2.gz GTTLDJYBYIKFEV-BLFANLJRSA-N 2 0 253.346 -0.663 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000347123418 218129704 /nfs/dbraw/zinc/12/97/04/218129704.db2.gz HSLLAHQVPVCIHA-LBPRGKRZSA-N 2 0 272.393 -0.306 20 0 CBADRP C[C@@H]1CC2(CN1C(=O)COC1C[NH2+]C1)CC[NH2+]CC2 ZINC000424226346 296293852 /nfs/dbraw/zinc/29/38/52/296293852.db2.gz RNIZUGMSUFIEOU-LLVKDONJSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000220319213 284781190 /nfs/dbraw/zinc/78/11/90/284781190.db2.gz IZUMVXVNGRNMJE-UTUOFQBUSA-N 2 0 255.362 -0.348 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC000347653991 218308425 /nfs/dbraw/zinc/30/84/25/218308425.db2.gz HLLFZEAWBCPCOI-NSHDSACASA-N 2 0 270.377 -0.702 20 0 CBADRP C[N@@H+]1CCCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000347643200 218304862 /nfs/dbraw/zinc/30/48/62/218304862.db2.gz CGPMCEPSLCNVGE-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000347655665 218310684 /nfs/dbraw/zinc/31/06/84/218310684.db2.gz CKTCSOZRBQRLLI-LBPRGKRZSA-N 2 0 282.388 -0.604 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419770365 284793955 /nfs/dbraw/zinc/79/39/55/284793955.db2.gz DPMYSAZVGKIUNI-UPJWGTAASA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CNC(=O)C[NH3+] ZINC000347697187 218326928 /nfs/dbraw/zinc/32/69/28/218326928.db2.gz VDUKUEMFWUYTHP-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP COCCN1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C[C@@H]1C ZINC000168022561 207398383 /nfs/dbraw/zinc/39/83/83/207398383.db2.gz XOKJKQTYDOTJKY-KBPBESRZSA-N 2 0 299.415 -0.066 20 0 CBADRP COCCN1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C[C@H]1C ZINC000168022455 207398603 /nfs/dbraw/zinc/39/86/03/207398603.db2.gz XOKJKQTYDOTJKY-KGLIPLIRSA-N 2 0 299.415 -0.066 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000418292833 207575095 /nfs/dbraw/zinc/57/50/95/207575095.db2.gz DNIGUTVRSLPNAX-VXGBXAGGSA-N 2 0 269.393 -0.811 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418491452 207588631 /nfs/dbraw/zinc/58/86/31/207588631.db2.gz OGTLITDSDRBSAZ-SFYZADRCSA-N 2 0 250.293 -0.122 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000376720977 532978664 /nfs/dbraw/zinc/97/86/64/532978664.db2.gz OUQCVPNLKLMDNT-PWSUYJOCSA-N 2 0 259.325 -0.475 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000419010588 207632788 /nfs/dbraw/zinc/63/27/88/207632788.db2.gz YXACVSATFUTNGG-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419422240 207689600 /nfs/dbraw/zinc/68/96/00/207689600.db2.gz MJBLARSBJVNACN-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C1CC1)C(C)(C)C[NH+](C)C ZINC000419544381 207702932 /nfs/dbraw/zinc/70/29/32/207702932.db2.gz LGBLCEAOHHNIJJ-PWSUYJOCSA-N 2 0 298.431 -0.068 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000419544802 207704865 /nfs/dbraw/zinc/70/48/65/207704865.db2.gz LNGJZVLZTFHUHJ-MNOVXSKESA-N 2 0 286.420 -0.210 20 0 CBADRP C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000419550499 207708275 /nfs/dbraw/zinc/70/82/75/207708275.db2.gz UUDPMLJWBFVTCQ-MNOVXSKESA-N 2 0 284.404 -0.443 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419865580 207749973 /nfs/dbraw/zinc/74/99/73/207749973.db2.gz AMQOAIWPWBZWNB-GFCCVEGCSA-N 2 0 284.404 -0.489 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C1(OC)CC[NH2+]CC1 ZINC000167264391 285031970 /nfs/dbraw/zinc/03/19/70/285031970.db2.gz NYUJJKBTINFXNY-ZDUSSCGKSA-N 2 0 299.415 -0.018 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)C[NH+]1CCCCC1 ZINC000419897358 207756468 /nfs/dbraw/zinc/75/64/68/207756468.db2.gz YPWGSWRFAIJZPI-OLZOCXBDSA-N 2 0 296.415 -0.297 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419924201 207760421 /nfs/dbraw/zinc/76/04/21/207760421.db2.gz CAIDHROTJMPZJW-GFCCVEGCSA-N 2 0 286.420 -0.242 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000423428133 207896529 /nfs/dbraw/zinc/89/65/29/207896529.db2.gz JZXNJFMEWLCFNU-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000423608582 207914518 /nfs/dbraw/zinc/91/45/18/207914518.db2.gz NZWJZZADCYINNL-GFCCVEGCSA-N 2 0 282.388 -0.639 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000423746757 207935071 /nfs/dbraw/zinc/93/50/71/207935071.db2.gz ROWXSEDOBNYZCE-NEPJUHHUSA-N 2 0 273.377 -0.471 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424163717 207962473 /nfs/dbraw/zinc/96/24/73/207962473.db2.gz VRNAMOADSRYMIO-UTUOFQBUSA-N 2 0 292.387 -0.070 20 0 CBADRP C[NH2+][C@@H](C)CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424165580 207964756 /nfs/dbraw/zinc/96/47/56/207964756.db2.gz GBRNQCUHQISLSN-VHSXEESVSA-N 2 0 266.349 -0.460 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000427854458 208072266 /nfs/dbraw/zinc/07/22/66/208072266.db2.gz AVXBAKIMWCOKGH-ZJUUUORDSA-N 2 0 254.334 -0.532 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428195717 208081308 /nfs/dbraw/zinc/08/13/08/208081308.db2.gz YLLXGMKGDJZEHB-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@@H]([NH2+]C)C2)CC1 ZINC000428410531 208086810 /nfs/dbraw/zinc/08/68/10/208086810.db2.gz FNDKLMYXCCXLRN-GFCCVEGCSA-N 2 0 254.378 -0.556 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@@H](C[NH3+])C2)CC1=O ZINC000428532396 208090870 /nfs/dbraw/zinc/09/08/70/208090870.db2.gz LWDYNDYCKYMMHJ-STQMWFEESA-N 2 0 296.415 -0.406 20 0 CBADRP CN1CCN(C(=O)CC[N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000429685743 208128838 /nfs/dbraw/zinc/12/88/38/208128838.db2.gz PZMGLBOIYZJALO-CYBMUJFWSA-N 2 0 269.389 -0.145 20 0 CBADRP C[N@@H+]1CC[C@]2(CC[NH+](CCC(=O)NC(N)=O)C2)C1 ZINC000429011399 208105713 /nfs/dbraw/zinc/10/57/13/208105713.db2.gz SHRFWTUGHOBZMI-LBPRGKRZSA-N 2 0 254.334 -0.401 20 0 CBADRP O=C(NCCCC[NH+]1CCOCC1)[C@@H]1C[NH2+]CCO1 ZINC000430713430 208174720 /nfs/dbraw/zinc/17/47/20/208174720.db2.gz HGWUIVFDYZRLRN-LBPRGKRZSA-N 2 0 271.361 -0.797 20 0 CBADRP COCC[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000430900715 285073927 /nfs/dbraw/zinc/07/39/27/285073927.db2.gz QSHQNGHXIGOYRY-LBPRGKRZSA-N 2 0 255.362 -0.083 20 0 CBADRP CS(=O)(=O)NCC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430599116 208167101 /nfs/dbraw/zinc/16/71/01/208167101.db2.gz VBCKZDLLZOZBRM-UHFFFAOYSA-N 2 0 279.406 -0.635 20 0 CBADRP C[N@H+](CCC(=O)NC1CCCC1)CC(=O)N1CC[NH2+]CC1 ZINC000430642299 208168404 /nfs/dbraw/zinc/16/84/04/208168404.db2.gz OFRVEDYUBCBSER-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000430729638 208175645 /nfs/dbraw/zinc/17/56/45/208175645.db2.gz HBETUTMURFCMCY-VXGBXAGGSA-N 2 0 271.361 -0.798 20 0 CBADRP CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430638159 208169499 /nfs/dbraw/zinc/16/94/99/208169499.db2.gz MTPCJNPXICVCFZ-LLVKDONJSA-N 2 0 263.407 -0.061 20 0 CBADRP CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC(C[NH3+])CC2)C1 ZINC000430669721 208171634 /nfs/dbraw/zinc/17/16/34/208171634.db2.gz UKVVAMPDPLYOBP-AWEZNQCLSA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)C[NH+]1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000430678853 208171896 /nfs/dbraw/zinc/17/18/96/208171896.db2.gz OIXRYRBBYPKKOL-UHFFFAOYSA-N 2 0 255.362 -0.225 20 0 CBADRP C[NH+](C)C1(CNC(=O)COC2C[NH2+]C2)CCOCC1 ZINC000430701394 208172431 /nfs/dbraw/zinc/17/24/31/208172431.db2.gz VMCNSRHFSFRLHQ-UHFFFAOYSA-N 2 0 271.361 -0.798 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000430718312 208174349 /nfs/dbraw/zinc/17/43/49/208174349.db2.gz BVVFDUBYIZOBMN-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[C@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CC[N@@H+]1CCOC ZINC000430720889 208176289 /nfs/dbraw/zinc/17/62/89/208176289.db2.gz NSHPMLNDXLWDTC-KBPBESRZSA-N 2 0 299.415 -0.066 20 0 CBADRP CC(C)(C[NH3+])C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000430748982 208179716 /nfs/dbraw/zinc/17/97/16/208179716.db2.gz HCGVLHPMAKRNEU-UHFFFAOYSA-N 2 0 257.378 -0.066 20 0 CBADRP C[C@@H]1C[C@H](N(C)C(=O)COC2C[NH2+]C2)CC[N@@H+]1C ZINC000430785682 208182401 /nfs/dbraw/zinc/18/24/01/208182401.db2.gz YHLFSTOBZJFYON-GHMZBOCLSA-N 2 0 255.362 -0.084 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000430816993 208183739 /nfs/dbraw/zinc/18/37/39/208183739.db2.gz OXKUITDEILPVCQ-GFCCVEGCSA-N 2 0 273.377 -0.551 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000430816994 208185437 /nfs/dbraw/zinc/18/54/37/208185437.db2.gz OXKUITDEILPVCQ-LBPRGKRZSA-N 2 0 273.377 -0.551 20 0 CBADRP C[NH2+]CCCC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000430891854 208186719 /nfs/dbraw/zinc/18/67/19/208186719.db2.gz XTZDMWIEEPSYMI-LLVKDONJSA-N 2 0 270.377 -0.558 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000430892066 208188716 /nfs/dbraw/zinc/18/87/16/208188716.db2.gz ZSWYHRZRMGJPMD-WOPDTQHZSA-N 2 0 282.388 -0.430 20 0 CBADRP [NH3+]CCC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000430893615 208188865 /nfs/dbraw/zinc/18/88/65/208188865.db2.gz HABOMHBCCDWEAK-GFCCVEGCSA-N 2 0 255.362 -0.094 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[NH2+]CC1CC1 ZINC000430896467 208189191 /nfs/dbraw/zinc/18/91/91/208189191.db2.gz HZTAMVWLGCQEGF-LBPRGKRZSA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@@H]1C[N@H+](CCC(=O)N2CCOCC2)CC[C@@H]1[NH3+] ZINC000430920821 208191677 /nfs/dbraw/zinc/19/16/77/208191677.db2.gz QGWFEUAXUHVMNZ-NEPJUHHUSA-N 2 0 255.362 -0.096 20 0 CBADRP CNS(=O)(=O)CCC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430926587 208192399 /nfs/dbraw/zinc/19/23/99/208192399.db2.gz ONMSYUUFGDMFOW-JTQLQIEISA-N 2 0 263.407 -0.015 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000431006581 208194991 /nfs/dbraw/zinc/19/49/91/208194991.db2.gz YZBXKKCMSFYADX-VXGBXAGGSA-N 2 0 256.394 -0.406 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000431002867 208195622 /nfs/dbraw/zinc/19/56/22/208195622.db2.gz CCLUYUCCHWPYCH-STQMWFEESA-N 2 0 268.405 -0.133 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000431002323 208196498 /nfs/dbraw/zinc/19/64/98/208196498.db2.gz MNUIBDMHESEDOY-LBPRGKRZSA-N 2 0 254.378 -0.650 20 0 CBADRP CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000430966477 208196514 /nfs/dbraw/zinc/19/65/14/208196514.db2.gz NUPPRLUYUBVLSH-SNVBAGLBSA-N 2 0 268.361 -0.013 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000431005869 208197166 /nfs/dbraw/zinc/19/71/66/208197166.db2.gz PCDGUXCGFWPAHX-ZIAGYGMSSA-N 2 0 297.399 -0.454 20 0 CBADRP C[NH2+]CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000431023329 208197642 /nfs/dbraw/zinc/19/76/42/208197642.db2.gz QUKJMIZTMTXTEX-UHFFFAOYSA-N 3 0 291.399 -0.071 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000431010808 208197796 /nfs/dbraw/zinc/19/77/96/208197796.db2.gz RQNQCNZLUVIDOU-CYBMUJFWSA-N 2 0 284.404 -0.881 20 0 CBADRP CC(C)OCC[NH+]1CCC(NC(=O)COC2C[NH2+]C2)CC1 ZINC000431015497 208200270 /nfs/dbraw/zinc/20/02/70/208200270.db2.gz PIUOBOSEZAQVEF-UHFFFAOYSA-N 2 0 299.415 -0.020 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)COC2C[NH2+]C2)C[N@@H+]1C1CC1 ZINC000431027848 208200697 /nfs/dbraw/zinc/20/06/97/208200697.db2.gz YSNMYMVRMDKEFH-ZJUUUORDSA-N 2 0 253.346 -0.284 20 0 CBADRP COCC[NH+]1CCC(NC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000431054789 208202317 /nfs/dbraw/zinc/20/23/17/208202317.db2.gz FEEISUJCSFYNOQ-CYBMUJFWSA-N 2 0 285.388 -0.408 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)CCC[NH3+])CC1 ZINC000431029625 208202546 /nfs/dbraw/zinc/20/25/46/208202546.db2.gz FVGDPXXWLUSPLY-LBPRGKRZSA-N 2 0 256.394 -0.133 20 0 CBADRP C[NH+]1CCN(c2cc(CNC(=O)C[NH3+])ccn2)CC1 ZINC000431038072 208202587 /nfs/dbraw/zinc/20/25/87/208202587.db2.gz RHPVUBLOSITXDO-UHFFFAOYSA-N 2 0 263.345 -0.592 20 0 CBADRP COCC[NH2+]CC(=O)NC1CC[NH+](CCOC)CC1 ZINC000431054845 208203030 /nfs/dbraw/zinc/20/30/30/208203030.db2.gz FNRYABDPIVXHFT-UHFFFAOYSA-N 2 0 273.377 -0.551 20 0 CBADRP C[NH+](C)CCCNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433401472 208245156 /nfs/dbraw/zinc/24/51/56/208245156.db2.gz SKEDDJYWOYHOEY-NSHDSACASA-N 2 0 280.376 -0.116 20 0 CBADRP CC[N@H+](CC(=O)NC[C@@H]1C[NH+](C)CCN1C)C1CC1 ZINC000440953511 208346651 /nfs/dbraw/zinc/34/66/51/208346651.db2.gz GGJHHEJEHOSSMO-CYBMUJFWSA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442785820 208367158 /nfs/dbraw/zinc/36/71/58/208367158.db2.gz YLGNLIZEYSPMMH-XQHKEYJVSA-N 2 0 296.415 -0.232 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NCC[NH+]2CCC2)CC1=O ZINC000443949875 208397573 /nfs/dbraw/zinc/39/75/73/208397573.db2.gz TZZKQYGMGSFJJM-GFCCVEGCSA-N 2 0 282.388 -0.782 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000449608056 208500581 /nfs/dbraw/zinc/50/05/81/208500581.db2.gz DQPYNCWADZEJTD-WDEREUQCSA-N 2 0 270.377 -0.750 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC(N)=O ZINC000345221388 285242979 /nfs/dbraw/zinc/24/29/79/285242979.db2.gz LOZSEEKYLXUYOF-GFCCVEGCSA-N 2 0 284.404 -0.264 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000574875226 335054167 /nfs/dbraw/zinc/05/41/67/335054167.db2.gz FIMPDRPSXNXSFS-XYTAGDGMSA-N 2 0 279.384 -0.085 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000574875227 335054174 /nfs/dbraw/zinc/05/41/74/335054174.db2.gz FIMPDRPSXNXSFS-ZZIFITQXSA-N 2 0 279.384 -0.085 20 0 CBADRP C[C@@H]([NH3+])C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000575044788 335056240 /nfs/dbraw/zinc/05/62/40/335056240.db2.gz YOBUOYUAIKPGFQ-SFYZADRCSA-N 2 0 268.283 -0.714 20 0 CBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](C[NH3+])OC)CC1 ZINC000353511745 285322287 /nfs/dbraw/zinc/32/22/87/285322287.db2.gz KHZKBZJNKPISAT-OLZOCXBDSA-N 2 0 286.420 -0.650 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000575043253 335058198 /nfs/dbraw/zinc/05/81/98/335058198.db2.gz QRMURRMNZRNCAD-AXFHLTTASA-N 2 0 287.360 -0.898 20 0 CBADRP CN1CCN(C(=O)c2coc(C[NH3+])c2)[C@H](C[NH3+])C1 ZINC000575057704 335060223 /nfs/dbraw/zinc/06/02/23/335060223.db2.gz IKESOXXCNNTCEX-SNVBAGLBSA-N 2 0 252.318 -0.547 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000342719824 533447177 /nfs/dbraw/zinc/44/71/77/533447177.db2.gz XUWODMSEYFOFMZ-LLVKDONJSA-N 2 0 271.361 -0.131 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339640092 533569109 /nfs/dbraw/zinc/56/91/09/533569109.db2.gz VCRCGCIHSMYLDX-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP NC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000575124109 335069462 /nfs/dbraw/zinc/06/94/62/335069462.db2.gz OJGUWJTXPGMNHZ-WDEREUQCSA-N 2 0 268.361 -0.107 20 0 CBADRP CCS(=O)(=O)NCCC[NH2+]CC1CC[NH2+]CC1 ZINC000575123400 335069590 /nfs/dbraw/zinc/06/95/90/335069590.db2.gz GKEAPRBJFSKJBN-UHFFFAOYSA-N 2 0 263.407 -0.095 20 0 CBADRP COC1(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC[NH2+]CC1 ZINC000186752396 292096174 /nfs/dbraw/zinc/09/61/74/292096174.db2.gz YZQPFSBDRFEZMB-GHMZBOCLSA-N 2 0 255.362 -0.131 20 0 CBADRP COC1(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC[NH2+]CC1 ZINC000186752365 292098052 /nfs/dbraw/zinc/09/80/52/292098052.db2.gz YZQPFSBDRFEZMB-MNOVXSKESA-N 2 0 255.362 -0.131 20 0 CBADRP COC1(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]CC1 ZINC000186752378 292098070 /nfs/dbraw/zinc/09/80/70/292098070.db2.gz YZQPFSBDRFEZMB-QWRGUYRKSA-N 2 0 255.362 -0.131 20 0 CBADRP O=C([C@@H]1CCC[NH2+]1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377524166 304330459 /nfs/dbraw/zinc/33/04/59/304330459.db2.gz MQWGGXRXCJCYDS-NEPJUHHUSA-N 2 0 252.362 -0.756 20 0 CBADRP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351472531 289238806 /nfs/dbraw/zinc/23/88/06/289238806.db2.gz AZYYYOCPVWFPGH-SDDRHHMPSA-N 2 0 275.418 -0.063 20 0 CBADRP COCC1(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC[NH2+]CC1 ZINC000343649571 292214480 /nfs/dbraw/zinc/21/44/80/292214480.db2.gz HSAXSRDELMTILS-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000190743485 304369807 /nfs/dbraw/zinc/36/98/07/304369807.db2.gz CERSMFKJDYUPPB-PWSUYJOCSA-N 2 0 253.346 -0.282 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)N[C@H](C)CC[NH3+] ZINC000417755673 292337057 /nfs/dbraw/zinc/33/70/57/292337057.db2.gz QYNNMGPXBHPKLL-LLVKDONJSA-N 2 0 260.382 -0.009 20 0 CBADRP COCCC[N@@H+]1CCCN(C(=O)[C@H]([NH3+])COC)CC1 ZINC000367534856 292352672 /nfs/dbraw/zinc/35/26/72/292352672.db2.gz YWIQJQBBLPSJJW-GFCCVEGCSA-N 2 0 273.377 -0.469 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)CCOC2C[NH2+]C2)C[C@@H]1C ZINC000348988560 287088896 /nfs/dbraw/zinc/08/88/96/287088896.db2.gz BAVJCBLPNDRYME-NWDGAFQWSA-N 2 0 285.388 -0.722 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@@H]1C ZINC000333860102 287092134 /nfs/dbraw/zinc/09/21/34/287092134.db2.gz RVVHYBKWCYAFQR-OBPIAQAESA-N 2 0 282.388 -0.699 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)CN1CC[NH2+]CC1 ZINC000037631294 411623800 /nfs/dbraw/zinc/62/38/00/411623800.db2.gz UQNSPAMKNYPKEC-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP C[NH+](C)C/C=C\C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000491905305 412290243 /nfs/dbraw/zinc/29/02/43/412290243.db2.gz MGGCEUOQRLXIPP-KMSCOEIWSA-N 2 0 282.388 -0.440 20 0 CBADRP COCC[NH2+]CCNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000418514765 292561989 /nfs/dbraw/zinc/56/19/89/292561989.db2.gz XNOZFQFDJIYQBI-WDEREUQCSA-N 2 0 258.366 -0.386 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000662747178 413990799 /nfs/dbraw/zinc/99/07/99/413990799.db2.gz UMGFQEZKQDMJQG-WOPDTQHZSA-N 2 0 255.362 -0.192 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000662750265 413991275 /nfs/dbraw/zinc/99/12/75/413991275.db2.gz MEACBWYLFUJRIK-RDBSUJKOSA-N 2 0 297.399 -0.469 20 0 CBADRP CC(C)OCC[NH+]1CCC(NC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662752730 413992668 /nfs/dbraw/zinc/99/26/68/413992668.db2.gz JMVYFYKNIPLNFC-UHFFFAOYSA-N 2 0 285.388 -0.674 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000419412064 287348813 /nfs/dbraw/zinc/34/88/13/287348813.db2.gz QLCZTSSZKDZJTP-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000575178950 335076051 /nfs/dbraw/zinc/07/60/51/335076051.db2.gz YGWLLMZWXNGNIH-TUAOUCFPSA-N 2 0 253.346 -0.282 20 0 CBADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)COC1C[NH2+]C1 ZINC000575178432 335076147 /nfs/dbraw/zinc/07/61/47/335076147.db2.gz ZKAGOEPEYUJBGU-NSHDSACASA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+](C)C[C@H]1CCCCN1C(=O)COC1C[NH2+]C1 ZINC000575178431 335076158 /nfs/dbraw/zinc/07/61/58/335076158.db2.gz ZKAGOEPEYUJBGU-LLVKDONJSA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000331370150 228095789 /nfs/dbraw/zinc/09/57/89/228095789.db2.gz CXYDVNBEOXTAGB-WZRBSPASSA-N 2 0 294.399 -0.465 20 0 CBADRP C[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[NH+](C)C ZINC000078733869 544425862 /nfs/dbraw/zinc/42/58/62/544425862.db2.gz MPXJJOBZDWIQRV-LBPRGKRZSA-N 3 0 258.410 -0.112 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)nn1 ZINC000089699767 544436382 /nfs/dbraw/zinc/43/63/82/544436382.db2.gz QURXFMXTYZNHBJ-GFCCVEGCSA-N 2 0 292.387 -0.063 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)nn1 ZINC000089699039 544436966 /nfs/dbraw/zinc/43/69/66/544436966.db2.gz OIOZEFHXTYXEEA-ZYHUDNBSSA-N 2 0 278.360 -0.407 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)c2cn(CC[NH3+])nn2)C1 ZINC000089709151 544437798 /nfs/dbraw/zinc/43/77/98/544437798.db2.gz ONLZUQSUHVAESB-NSHDSACASA-N 2 0 280.376 -0.207 20 0 CBADRP CC(C)[C@@H](CNC(=O)COCC[NH3+])[NH+]1CCN(C)CC1 ZINC000093231846 544443436 /nfs/dbraw/zinc/44/34/36/544443436.db2.gz FTUDYRNYYVJFSB-CYBMUJFWSA-N 2 0 286.420 -0.650 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)CC1([NH3+])CCC1 ZINC000094295505 544444586 /nfs/dbraw/zinc/44/45/86/544444586.db2.gz HRFHNNFAKVDVID-LLVKDONJSA-N 2 0 254.378 -0.380 20 0 CBADRP C[C@H]1C[C@H](NC(=O)COC2(C)C[NH2+]C2)CC[N@@H+]1C ZINC000098061765 544447215 /nfs/dbraw/zinc/44/72/15/544447215.db2.gz CIMVPKGJBVRQDZ-WDEREUQCSA-N 2 0 255.362 -0.036 20 0 CBADRP O=C(N1CC[NH2+]CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243741 544448449 /nfs/dbraw/zinc/44/84/49/544448449.db2.gz MMLFAKAPMZYPTN-SECBINFHSA-N 2 0 251.252 -0.040 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cn(CC[NH3+])nn3)CC[C@H]21 ZINC000227334171 544494573 /nfs/dbraw/zinc/49/45/73/544494573.db2.gz FYTXDVQKGCIAFT-DGCLKSJQSA-N 2 0 292.387 -0.207 20 0 CBADRP CC[C@@H]([NH3+])C(=O)NCCCN1CC[NH+](CC)CC1 ZINC000130612596 544458856 /nfs/dbraw/zinc/45/88/56/544458856.db2.gz GZCHQXXQXYVZAG-GFCCVEGCSA-N 2 0 256.394 -0.133 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[NH+](C2CCC2)CC1 ZINC000146799069 544464265 /nfs/dbraw/zinc/46/42/65/544464265.db2.gz IMQYMKFOQNCQCY-UHFFFAOYSA-N 2 0 266.389 -0.412 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCO3)CC[C@@H]21 ZINC000167516497 544476949 /nfs/dbraw/zinc/47/69/49/544476949.db2.gz JBXUQKHZQSYAQT-AGIUHOORSA-N 2 0 267.373 -0.083 20 0 CBADRP C[NH+](C)C1(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC1 ZINC000333522054 544544252 /nfs/dbraw/zinc/54/42/52/544544252.db2.gz GTBXWCQUTSTNGN-URLYPYJESA-N 2 0 252.362 -0.012 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000333575534 544545150 /nfs/dbraw/zinc/54/51/50/544545150.db2.gz SQVNQDVZFGNDQF-QWHCGFSZSA-N 2 0 282.388 -0.146 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000238028329 544509180 /nfs/dbraw/zinc/50/91/80/544509180.db2.gz FTSADQXOSFKOEW-GFCCVEGCSA-N 2 0 254.378 -0.460 20 0 CBADRP C[NH+](C/C=C/C[N@@H+](C)C(C)(C)C(N)=O)C(C)(C)C(N)=O ZINC000660648823 419419472 /nfs/dbraw/zinc/41/94/72/419419472.db2.gz XQKRCZZQDCFFEH-BQYQJAHWSA-N 2 0 284.404 -0.066 20 0 CBADRP CN(C)S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000104102420 419479379 /nfs/dbraw/zinc/47/93/79/419479379.db2.gz FJIPEQNTCSMTIE-UHFFFAOYSA-N 2 0 266.411 -0.782 20 0 CBADRP CNC(=O)[C@@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000043499896 419432041 /nfs/dbraw/zinc/43/20/41/419432041.db2.gz ZNRQARDTSQTYPE-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP C[NH+](C)CCN=c1cc(NCC[NH+](C)C)n2[nH]cnc2n1 ZINC000359363901 544569245 /nfs/dbraw/zinc/56/92/45/544569245.db2.gz CDBSKQGVVDITLR-UHFFFAOYSA-N 2 0 292.391 -0.507 20 0 CBADRP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000660926875 419458254 /nfs/dbraw/zinc/45/82/54/419458254.db2.gz SNOXPZMXDXSRJG-BFHYXJOUSA-N 2 0 271.405 -0.562 20 0 CBADRP O=C(CN1CC[NH2+]CC1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000638105293 419525578 /nfs/dbraw/zinc/52/55/78/419525578.db2.gz RBMKOKXDGIKAHJ-UHFFFAOYSA-N 2 0 286.339 0.111 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000638105785 419527503 /nfs/dbraw/zinc/52/75/03/419527503.db2.gz VVDWPHIXONOWRM-PWSUYJOCSA-N 2 0 273.296 0.322 20 0 CBADRP C([C@H]1C[NH2+]CCO1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000662259439 419568108 /nfs/dbraw/zinc/56/81/08/419568108.db2.gz XOYYRUJCICHDNL-ZIAGYGMSSA-N 2 0 269.389 -0.229 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000662152396 419548318 /nfs/dbraw/zinc/54/83/18/419548318.db2.gz UAMRMOADIQIKJB-LSDHHAIUSA-N 2 0 285.432 -0.170 20 0 CBADRP CCOC[C@H](O)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662157735 419552084 /nfs/dbraw/zinc/55/20/84/419552084.db2.gz PWLJLTVAALGQGM-UONOGXRCSA-N 2 0 272.389 -0.085 20 0 CBADRP C[C@@H](C(=O)N(C)C)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662157883 419552171 /nfs/dbraw/zinc/55/21/71/419552171.db2.gz SQRCIQQJWYPWQB-AAEUAGOBSA-N 2 0 269.389 -0.006 20 0 CBADRP O=C([C@H]1CCC[N@H+](C[C@H]2CNCCO2)C1)N1CC[NH2+]CC1 ZINC000662243512 419557549 /nfs/dbraw/zinc/55/75/49/419557549.db2.gz MKUZDCKRDNITRL-UONOGXRCSA-N 2 0 296.415 -0.881 20 0 CBADRP COC[C@@H](C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)OC ZINC000662243576 419558133 /nfs/dbraw/zinc/55/81/33/419558133.db2.gz NCXBGLAKNZIVBG-UONOGXRCSA-N 2 0 299.415 -0.208 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662242027 419559769 /nfs/dbraw/zinc/55/97/69/419559769.db2.gz AQRATRKZHQWSBT-STQMWFEESA-N 3 0 296.415 -0.706 20 0 CBADRP O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256803 419561826 /nfs/dbraw/zinc/56/18/26/419561826.db2.gz KSXNYBZKYMQUKN-GRYCIOLGSA-N 2 0 265.357 -0.140 20 0 CBADRP CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254249 419563758 /nfs/dbraw/zinc/56/37/58/419563758.db2.gz GLBUXZSAHOPLHB-GHMZBOCLSA-N 2 0 289.401 -0.869 20 0 CBADRP CNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662256740 419564288 /nfs/dbraw/zinc/56/42/88/419564288.db2.gz YKIMSOXGUQRYRV-VXGBXAGGSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@H]1C[NH2+]CCO1 ZINC000662272210 419566011 /nfs/dbraw/zinc/56/60/11/419566011.db2.gz MDEAPXBSDGFWBV-QWHCGFSZSA-N 2 0 284.404 -0.706 20 0 CBADRP C([C@H]1C[NH2+]CCO1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000662259437 419566429 /nfs/dbraw/zinc/56/64/29/419566429.db2.gz XOYYRUJCICHDNL-UONOGXRCSA-N 2 0 269.389 -0.229 20 0 CBADRP O[C@@H](C[NH2+]CCCn1ccnn1)C[NH+]1CCCC1 ZINC000126901524 419495506 /nfs/dbraw/zinc/49/55/06/419495506.db2.gz LLUQRHVFNSGSEE-LBPRGKRZSA-N 2 0 253.350 -0.286 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000178794510 419508041 /nfs/dbraw/zinc/50/80/41/419508041.db2.gz MLQGEOFWYIBQCE-LLVKDONJSA-N 2 0 255.362 -0.096 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394373608 544579737 /nfs/dbraw/zinc/57/97/37/544579737.db2.gz NCNOTEVDJZJDAN-STQMWFEESA-N 2 0 268.405 -0.134 20 0 CBADRP COC[C@H](C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])OC ZINC000662271686 419569550 /nfs/dbraw/zinc/56/95/50/419569550.db2.gz IKQFALGCOHASSY-STQMWFEESA-N 2 0 287.404 -0.033 20 0 CBADRP Cn1ccnc1[C@@H]1C[NH2+]CCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662274302 419569851 /nfs/dbraw/zinc/56/98/51/419569851.db2.gz UPMPNHAJVSQHCI-STQMWFEESA-N 2 0 291.399 -0.113 20 0 CBADRP Cn1ccnc1[C@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]CCO1 ZINC000662273279 419570198 /nfs/dbraw/zinc/57/01/98/419570198.db2.gz NHSJWIPJVZJCRO-NWDGAFQWSA-N 2 0 265.361 -0.645 20 0 CBADRP Cn1cnnc1N1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662284633 419572377 /nfs/dbraw/zinc/57/23/77/419572377.db2.gz NXGKLNWOUVCXMY-LBPRGKRZSA-N 2 0 292.387 -0.542 20 0 CBADRP [NH3+]C[C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)CCCO1 ZINC000662283031 419572870 /nfs/dbraw/zinc/57/28/70/419572870.db2.gz ZQCINTITQDDMLL-VXGBXAGGSA-N 3 0 255.362 -0.443 20 0 CBADRP CCN1CC[C@@H]([N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000662284289 419573038 /nfs/dbraw/zinc/57/30/38/419573038.db2.gz XBKIQXUQAFXNLA-CHWSQXEVSA-N 2 0 292.387 -0.006 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNc1nc(N)[nH+]c2c1CCCC2 ZINC000645167085 419573171 /nfs/dbraw/zinc/57/31/71/419573171.db2.gz JKYKOJOFQISHIV-NSHDSACASA-N 2 0 290.415 0.017 20 0 CBADRP CCO[C@@H]1CN([C@@H]2CCCN(C)C2=O)C[C@H]1C[NH3+] ZINC000662285854 419573203 /nfs/dbraw/zinc/57/32/03/419573203.db2.gz NTMOASAAZXZLTE-IJLUTSLNSA-N 2 0 255.362 -0.097 20 0 CBADRP CO[C@@H](CN(CC[NH3+])C[C@H](O)CO)C1CCCC1 ZINC000662285584 419573235 /nfs/dbraw/zinc/57/32/35/419573235.db2.gz DWNGHWCRTFAQBZ-STQMWFEESA-N 2 0 260.378 -0.195 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000236870635 419573861 /nfs/dbraw/zinc/57/38/61/419573861.db2.gz DYDGEDGVGSQDJH-GFCCVEGCSA-N 2 0 254.378 -0.556 20 0 CBADRP CCN1CC[C@H]([N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000662284300 419574295 /nfs/dbraw/zinc/57/42/95/419574295.db2.gz XBKIQXUQAFXNLA-STQMWFEESA-N 2 0 292.387 -0.006 20 0 CBADRP CC(C)[NH2+]CCC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394389997 544580864 /nfs/dbraw/zinc/58/08/64/544580864.db2.gz VDRROUGGBAFQEL-CYBMUJFWSA-N 2 0 268.405 -0.119 20 0 CBADRP O=C(CC[NH2+]C1CC1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394381065 544580948 /nfs/dbraw/zinc/58/09/48/544580948.db2.gz CGANALFYTLGEQB-ZDUSSCGKSA-N 2 0 266.389 -0.365 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CC[NH2+]C1 ZINC000394381549 544581101 /nfs/dbraw/zinc/58/11/01/544581101.db2.gz MIKGWSHVDRVACV-JSGCOSHPSA-N 2 0 266.389 -0.508 20 0 CBADRP C[C@]1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CC[NH2+]C1 ZINC000394381551 544581271 /nfs/dbraw/zinc/58/12/71/544581271.db2.gz MIKGWSHVDRVACV-OCCSQVGLSA-N 2 0 266.389 -0.508 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000237018263 419579440 /nfs/dbraw/zinc/57/94/40/419579440.db2.gz GPMNSBZPRSMNHM-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP [NH3+]CCN(Cc1ccc2c(c1)C[NH2+]CC2)C[C@H](O)CO ZINC000662289373 419580068 /nfs/dbraw/zinc/58/00/68/419580068.db2.gz ZVYOTZJMPYSACE-HNNXBMFYSA-N 2 0 279.384 -0.554 20 0 CBADRP COc1ccc([C@H](C[NH3+])CN(CC[NH3+])C[C@@H](O)CO)cc1 ZINC000662289175 419581816 /nfs/dbraw/zinc/58/18/16/419581816.db2.gz WYMMFMUHEDMJEG-ZIAGYGMSSA-N 2 0 297.399 -0.649 20 0 CBADRP COc1ccc([C@@H](C[NH3+])CN(CC[NH3+])C[C@H](O)CO)cc1 ZINC000662289172 419582122 /nfs/dbraw/zinc/58/21/22/419582122.db2.gz WYMMFMUHEDMJEG-KBPBESRZSA-N 2 0 297.399 -0.649 20 0 CBADRP C[NH2+]C[C@@](C)(O)CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662327809 419583895 /nfs/dbraw/zinc/58/38/95/419583895.db2.gz VRTSDECCGZIKGY-ZIAGYGMSSA-N 2 0 273.421 -0.001 20 0 CBADRP C[NH2+]C[C@@](C)(O)CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662327807 419584165 /nfs/dbraw/zinc/58/41/65/419584165.db2.gz VRTSDECCGZIKGY-UONOGXRCSA-N 2 0 273.421 -0.001 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058023 419590575 /nfs/dbraw/zinc/59/05/75/419590575.db2.gz IYJRZEHTUCMYIM-GARJFASQSA-N 2 0 286.351 -0.939 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)c1cn(CC[NH3+])nn1 ZINC000662383230 419593236 /nfs/dbraw/zinc/59/32/36/419593236.db2.gz JGBPRVVBGNWBFH-SNVBAGLBSA-N 2 0 268.365 -0.303 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CCO[C@H]1C[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000662403602 419594928 /nfs/dbraw/zinc/59/49/28/419594928.db2.gz NGQIJVHJNOLWLZ-QCNOEVLYSA-N 2 0 255.362 -0.146 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC2(C[NH3+])CC2)C1 ZINC000647489189 419594847 /nfs/dbraw/zinc/59/48/47/419594847.db2.gz VZGRHFVUDKVEMP-LLVKDONJSA-N 3 0 254.378 -0.488 20 0 CBADRP CC(C)[NH2+]CC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662400896 419595264 /nfs/dbraw/zinc/59/52/64/419595264.db2.gz GEJKBCJGRXLQDH-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP CC1(C)CC[NH2+][C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000662401200 419596294 /nfs/dbraw/zinc/59/62/94/419596294.db2.gz PNMJZHFFKLEYCT-NSHDSACASA-N 2 0 254.378 -0.604 20 0 CBADRP CS(=O)(=O)NC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000647513580 419598846 /nfs/dbraw/zinc/59/88/46/419598846.db2.gz LDWPBFMAWFAEMC-UHFFFAOYSA-N 2 0 275.418 0.000 20 0 CBADRP O=C(NCC[NH2+]C1CC1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662412271 419599134 /nfs/dbraw/zinc/59/91/34/419599134.db2.gz ORNQKRTTWLUDOH-SECBINFHSA-N 2 0 263.345 -0.032 20 0 CBADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000647727192 419640021 /nfs/dbraw/zinc/64/00/21/419640021.db2.gz QGOKITXKZJSYFC-WDEREUQCSA-N 2 0 284.404 -0.327 20 0 CBADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000647727191 419640055 /nfs/dbraw/zinc/64/00/55/419640055.db2.gz QGOKITXKZJSYFC-GHMZBOCLSA-N 2 0 284.404 -0.327 20 0 CBADRP [NH3+]C1(CC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000398073108 544583808 /nfs/dbraw/zinc/58/38/08/544583808.db2.gz JUQNSVLIFQVDKX-LLVKDONJSA-N 2 0 252.362 -0.626 20 0 CBADRP CC(C)[C@H](O)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000647527143 419601590 /nfs/dbraw/zinc/60/15/90/419601590.db2.gz SNFNZVQMUIQYPY-ZIAGYGMSSA-N 2 0 273.421 -0.409 20 0 CBADRP COCC[N@H+](C)CCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662439976 419604976 /nfs/dbraw/zinc/60/49/76/419604976.db2.gz UMEIJVKUMGCODP-NSHDSACASA-N 2 0 295.387 -0.205 20 0 CBADRP C[NH+](C)C1(CNC(=O)C2(O)C[NH2+]C2)CCCCC1 ZINC000662442987 419606482 /nfs/dbraw/zinc/60/64/82/419606482.db2.gz YEFVCHKFTCFWFK-UHFFFAOYSA-N 2 0 255.362 -0.299 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000662445078 419606781 /nfs/dbraw/zinc/60/67/81/419606781.db2.gz NMUKGJFSPWVCEG-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000662445075 419607445 /nfs/dbraw/zinc/60/74/45/419607445.db2.gz NMUKGJFSPWVCEG-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCC2(C)C)CCO1 ZINC000662433221 419608088 /nfs/dbraw/zinc/60/80/88/419608088.db2.gz YKIVUDNWJABYTJ-DCAQKATOSA-N 2 0 255.362 -0.051 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])COC(C)C)C1 ZINC000662453089 419611197 /nfs/dbraw/zinc/61/11/97/419611197.db2.gz SVOUKZWUNLRAQD-NEPJUHHUSA-N 2 0 273.377 -0.424 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000662464076 419614627 /nfs/dbraw/zinc/61/46/27/419614627.db2.gz KQKIZMGZLNZFHI-NEPJUHHUSA-N 2 0 256.394 -0.264 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000662463768 419615320 /nfs/dbraw/zinc/61/53/20/419615320.db2.gz HKVSYNIYDROWCJ-OLZOCXBDSA-N 2 0 286.420 -0.509 20 0 CBADRP COC[C@]1(C(=O)NC2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000310846015 419617497 /nfs/dbraw/zinc/61/74/97/419617497.db2.gz NIYBGFKIYJJDJC-ZDUSSCGKSA-N 2 0 255.362 -0.177 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CCC[N@H+](C)C2)CC[NH2+]C1 ZINC000310865514 419618552 /nfs/dbraw/zinc/61/85/52/419618552.db2.gz RKWBPIXIEBYFJT-AAEUAGOBSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000647594967 419618754 /nfs/dbraw/zinc/61/87/54/419618754.db2.gz CEGVUJWUNCKBDS-RVMXOQNASA-N 2 0 296.415 -0.029 20 0 CBADRP CC(C)[NH2+]CC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000662480366 419618997 /nfs/dbraw/zinc/61/89/97/419618997.db2.gz RQPDFIALLKUBCV-ZDUSSCGKSA-N 2 0 270.421 -0.016 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000647594962 419619809 /nfs/dbraw/zinc/61/98/09/419619809.db2.gz BFNXUASTMRCRFD-AXFHLTTASA-N 2 0 284.404 -0.173 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000647595064 419620206 /nfs/dbraw/zinc/62/02/06/419620206.db2.gz LMNMSXAWJUUUCC-SRVKXCTJSA-N 2 0 296.415 -0.005 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000662497458 419622788 /nfs/dbraw/zinc/62/27/88/419622788.db2.gz JNOQLNWOBVLWOE-ONGXEEELSA-N 2 0 278.360 -0.551 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662497684 419627795 /nfs/dbraw/zinc/62/77/95/419627795.db2.gz JCOYNKJNEJRVDK-LBPRGKRZSA-N 2 0 294.403 -0.056 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000662517558 419629897 /nfs/dbraw/zinc/62/98/97/419629897.db2.gz MDMDYMPKROQQIX-OLZOCXBDSA-N 2 0 284.404 -0.755 20 0 CBADRP C[C@@H](CCNC(=O)c1cn(CCC[NH3+])nn1)[NH+](C)C ZINC000662634561 419661092 /nfs/dbraw/zinc/66/10/92/419661092.db2.gz SJPLASOGUQQWDB-JTQLQIEISA-N 2 0 268.365 -0.303 20 0 CBADRP C[C@H]1CCCN(C(=O)COC2(C)C[NH2+]C2)[C@@H]1C[NH3+] ZINC000647820902 419662443 /nfs/dbraw/zinc/66/24/43/419662443.db2.gz LEFNQLKLLFYPBI-WDEREUQCSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]1CCCN(C(=O)COC2(C)C[NH2+]C2)[C@H]1C[NH3+] ZINC000647820901 419663020 /nfs/dbraw/zinc/66/30/20/419663020.db2.gz LEFNQLKLLFYPBI-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP Cn1ccc(C[N@H+](C)CCN2CC[NH2+]CC2)cc1=O ZINC000647835787 419665725 /nfs/dbraw/zinc/66/57/25/419665725.db2.gz OKIQWNVZENOMNH-UHFFFAOYSA-N 2 0 264.373 -0.278 20 0 CBADRP C[C@H](CN1CCOCC1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647836139 419665813 /nfs/dbraw/zinc/66/58/13/419665813.db2.gz AOHJEGTZMNQDAF-CQSZACIVSA-N 2 0 270.421 -0.456 20 0 CBADRP CCS(=O)(=O)NCCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647836236 419669208 /nfs/dbraw/zinc/66/92/08/419669208.db2.gz SDSXKJNPEJOGPL-UHFFFAOYSA-N 2 0 292.449 -0.847 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000662769480 419714496 /nfs/dbraw/zinc/71/44/96/419714496.db2.gz FFXNGCHBXDXLRO-KXNHARMFSA-N 2 0 253.346 -0.297 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000662668076 419672933 /nfs/dbraw/zinc/67/29/33/419672933.db2.gz ADPBBLWYRWXAQV-RYUDHWBXSA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)C1(O)C[NH2+]C1)c1ccccc1 ZINC000662661177 419675306 /nfs/dbraw/zinc/67/53/06/419675306.db2.gz LZWROKJRUCWHLT-GFCCVEGCSA-N 2 0 263.341 -0.260 20 0 CBADRP C[NH+](C)Cc1cccc(CNC(=O)C2(O)C[NH2+]C2)c1 ZINC000662674194 419676420 /nfs/dbraw/zinc/67/64/20/419676420.db2.gz WXTHUFNDJPVYOD-UHFFFAOYSA-N 2 0 263.341 -0.301 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000647865371 419677202 /nfs/dbraw/zinc/67/72/02/419677202.db2.gz HQLYPIUWDXMMSX-OEAJRASXSA-N 2 0 293.411 -0.035 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000647865372 419677466 /nfs/dbraw/zinc/67/74/66/419677466.db2.gz HQLYPIUWDXMMSX-QCEMKRCNSA-N 2 0 293.411 -0.035 20 0 CBADRP CC(C)[NH+]1CCC(N(C)C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662674128 419679080 /nfs/dbraw/zinc/67/90/80/419679080.db2.gz VXBRVOANSGMAOD-UHFFFAOYSA-N 2 0 255.362 -0.348 20 0 CBADRP CN1CCN(C(=O)Cc2cnn3ccccc23)[C@H](C[NH3+])C1 ZINC000647874431 419679834 /nfs/dbraw/zinc/67/98/34/419679834.db2.gz VWXIKASNUHASSO-CYBMUJFWSA-N 2 0 287.367 -0.022 20 0 CBADRP CS(=O)(=O)NC[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647877061 419679956 /nfs/dbraw/zinc/67/99/56/419679956.db2.gz HBJSIGPCCDMIHY-RYUDHWBXSA-N 2 0 275.418 -0.143 20 0 CBADRP CN1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)[C@@H](C[NH3+])C1 ZINC000647873515 419681045 /nfs/dbraw/zinc/68/10/45/419681045.db2.gz UYDHXLGDBPGIJB-QWRGUYRKSA-N 2 0 277.372 -0.069 20 0 CBADRP CS(=O)(=O)N1CCCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647874748 419681302 /nfs/dbraw/zinc/68/13/02/419681302.db2.gz UBZKCTWIMJFHOF-NSHDSACASA-N 2 0 261.391 -0.437 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000662765414 419714846 /nfs/dbraw/zinc/71/48/46/419714846.db2.gz GBDXSBYBHTYCEM-VLJOUNFMSA-N 2 0 267.373 -0.064 20 0 CBADRP CC(C)[C@H]1CN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC[NH2+]1 ZINC000662770235 419714853 /nfs/dbraw/zinc/71/48/53/419714853.db2.gz NGJHSKCOYTUOSC-TUAOUCFPSA-N 2 0 255.362 -0.193 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CNC(=O)C[NH3+] ZINC000662692785 419685472 /nfs/dbraw/zinc/68/54/72/419685472.db2.gz GLNNSDAHJALZRU-NSHDSACASA-N 2 0 270.377 -0.702 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCO[C@H]1C[NH3+])C1CC1 ZINC000662688549 419686025 /nfs/dbraw/zinc/68/60/25/419686025.db2.gz PXTVAVAOUSHDRU-UTUOFQBUSA-N 2 0 255.362 -0.193 20 0 CBADRP O=C(N1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@@]1(O)CCC[NH2+]C1 ZINC000662771551 419715013 /nfs/dbraw/zinc/71/50/13/419715013.db2.gz HHBJIDVRHZSEEL-DMDPSCGWSA-N 2 0 253.346 -0.689 20 0 CBADRP CNS(=O)(=O)C[C@H]1CCCN1C[C@@H]1CC[NH2+]C1 ZINC000647890794 419686145 /nfs/dbraw/zinc/68/61/45/419686145.db2.gz VSJZSVHGWFSBKJ-GHMZBOCLSA-N 2 0 261.391 -0.391 20 0 CBADRP CNS(=O)(=O)C[C@@H]1CCCN1C[C@H]1CC[NH2+]C1 ZINC000647890796 419686302 /nfs/dbraw/zinc/68/63/02/419686302.db2.gz VSJZSVHGWFSBKJ-QWRGUYRKSA-N 2 0 261.391 -0.391 20 0 CBADRP CS(=O)(=O)NCCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904129 419686450 /nfs/dbraw/zinc/68/64/50/419686450.db2.gz XKRWBJRHMRYNKH-NEPJUHHUSA-N 2 0 275.418 0.000 20 0 CBADRP [NH3+]C[C@@H]1CN(CCN2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC000647909286 419686477 /nfs/dbraw/zinc/68/64/77/419686477.db2.gz VVLMKCKEYFGVSC-FRRDWIJNSA-N 2 0 255.362 -0.491 20 0 CBADRP CS(=O)(=O)NCCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904131 419686774 /nfs/dbraw/zinc/68/67/74/419686774.db2.gz XKRWBJRHMRYNKH-RYUDHWBXSA-N 2 0 275.418 0.000 20 0 CBADRP CO[C@H]1CCN(CCC(=O)N2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000647907027 419687425 /nfs/dbraw/zinc/68/74/25/419687425.db2.gz ZSEPPLBSIDYLLF-OLZOCXBDSA-N 3 0 284.404 -0.754 20 0 CBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(O)C[NH2+]C1 ZINC000662695825 419690917 /nfs/dbraw/zinc/69/09/17/419690917.db2.gz PZMPPIVATIYIMA-GRYCIOLGSA-N 2 0 269.389 -0.197 20 0 CBADRP CC(C)[C@H]1CN(CCC(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC000647929088 419692434 /nfs/dbraw/zinc/69/24/34/419692434.db2.gz IRPGUMNVORTLKU-CYBMUJFWSA-N 2 0 268.405 -0.262 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662703213 419692547 /nfs/dbraw/zinc/69/25/47/419692547.db2.gz GWIIYLCXHRHSSU-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP CC1(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[NH2+]C1 ZINC000662707458 419692909 /nfs/dbraw/zinc/69/29/09/419692909.db2.gz FKBXJVHDVULUOY-LBPRGKRZSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])n1 ZINC000662704941 419693829 /nfs/dbraw/zinc/69/38/29/419693829.db2.gz MGMQIXMVXQYFCN-MNOVXSKESA-N 2 0 281.360 -0.253 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662702998 419694965 /nfs/dbraw/zinc/69/49/65/419694965.db2.gz GCLZKQZCAAEKSI-QWRGUYRKSA-N 2 0 259.350 -0.955 20 0 CBADRP C[NH2+]CCN(C)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000417559919 544591287 /nfs/dbraw/zinc/59/12/87/544591287.db2.gz ATEFFDYISHJRSK-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000662711853 419697060 /nfs/dbraw/zinc/69/70/60/419697060.db2.gz FEXZBKNTZVKHLN-YUSALJHKSA-N 2 0 255.362 -0.051 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662714814 419697774 /nfs/dbraw/zinc/69/77/74/419697774.db2.gz CINAIFAEVFUWNI-UHFFFAOYSA-N 2 0 296.415 -0.120 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000662716930 419698291 /nfs/dbraw/zinc/69/82/91/419698291.db2.gz KSLCBLBWJYEYOW-XUXIUFHCSA-N 2 0 297.399 -0.592 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000662717686 419698307 /nfs/dbraw/zinc/69/83/07/419698307.db2.gz CEFSEOCMSBIFNY-OPASDULOSA-N 2 0 275.356 -0.032 20 0 CBADRP [NH3+]C1(CC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000662716943 419699223 /nfs/dbraw/zinc/69/92/23/419699223.db2.gz LELPYLFDVKQFNJ-NWDGAFQWSA-N 2 0 267.373 -0.075 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662743283 419706249 /nfs/dbraw/zinc/70/62/49/419706249.db2.gz NFZDEYYYIAVILY-RYUDHWBXSA-N 2 0 273.377 -0.565 20 0 CBADRP O=C(N1CCC[C@H]([NH+]2CCCC2)CC1)C1(O)C[NH2+]C1 ZINC000662741108 419708476 /nfs/dbraw/zinc/70/84/76/419708476.db2.gz KNUZJUAHYOVWNW-LBPRGKRZSA-N 2 0 267.373 -0.202 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662758213 419709180 /nfs/dbraw/zinc/70/91/80/419709180.db2.gz OJPMWOZJPBIIOZ-HZSPNIEDSA-N 2 0 298.431 -0.508 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2[NH2+]CCC2(C)C)CC1 ZINC000662755220 419710014 /nfs/dbraw/zinc/71/00/14/419710014.db2.gz XPACCQAEDKIFRF-LBPRGKRZSA-N 2 0 268.405 -0.262 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1O ZINC000647994340 419710048 /nfs/dbraw/zinc/71/00/48/419710048.db2.gz YXNGYJBDAGOUIY-KBPBESRZSA-N 2 0 296.415 -0.071 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3)CC2)C1 ZINC000662760507 419711783 /nfs/dbraw/zinc/71/17/83/419711783.db2.gz WROHEQWDCHBRRL-IHRRRGAJSA-N 2 0 280.416 -0.038 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662759231 419711916 /nfs/dbraw/zinc/71/19/16/419711916.db2.gz UPVOLVWODPVTLS-SRVKXCTJSA-N 2 0 254.378 -0.524 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000647728295 419641416 /nfs/dbraw/zinc/64/14/16/419641416.db2.gz YLYPSBBIMZLIKU-QCNOEVLYSA-N 2 0 280.372 -0.950 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000662569599 419643944 /nfs/dbraw/zinc/64/39/44/419643944.db2.gz AMKLKODPEVYNOA-MNOVXSKESA-N 2 0 259.350 -0.767 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662567020 419644140 /nfs/dbraw/zinc/64/41/40/419644140.db2.gz SHZBCCHSTGGQDZ-BDAKNGLRSA-N 2 0 251.334 -0.046 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662590944 419647303 /nfs/dbraw/zinc/64/73/03/419647303.db2.gz OSFKCKYSIHPBPW-LBPRGKRZSA-N 2 0 282.388 -0.701 20 0 CBADRP O=C(NCC[NH2+]C1CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000647755904 419648562 /nfs/dbraw/zinc/64/85/62/419648562.db2.gz OGIMVNZJLFOMAW-UHFFFAOYSA-N 2 0 277.372 -0.170 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000647770004 419651997 /nfs/dbraw/zinc/65/19/97/419651997.db2.gz SZBCXBXUZSSZHE-CYBMUJFWSA-N 2 0 284.404 -0.881 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)C2([NH3+])CC3(CCC3)C2)CCO1 ZINC000662766223 419713792 /nfs/dbraw/zinc/71/37/92/419713792.db2.gz HEGQOZULNUQDLK-SNVBAGLBSA-N 2 0 253.346 -0.166 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000647769988 419652340 /nfs/dbraw/zinc/65/23/40/419652340.db2.gz SIIUZMBARGTLFN-OLZOCXBDSA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH2+]CC1CCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)CC1 ZINC000647780174 419653292 /nfs/dbraw/zinc/65/32/92/419653292.db2.gz JBTYNHGULYZKGE-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662619457 419654073 /nfs/dbraw/zinc/65/40/73/419654073.db2.gz LTUZGSZXHZDVCT-JTQLQIEISA-N 2 0 280.376 -0.161 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000647777636 419654094 /nfs/dbraw/zinc/65/40/94/419654094.db2.gz UQMOWBLWNZGLCC-LBPRGKRZSA-N 2 0 254.378 -0.650 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000647777173 419654233 /nfs/dbraw/zinc/65/42/33/419654233.db2.gz CJWVDIOKPYGKDH-GFCCVEGCSA-N 2 0 286.445 -0.555 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662621935 419654339 /nfs/dbraw/zinc/65/43/39/419654339.db2.gz MFQDOTVYAZMFML-RYUDHWBXSA-N 2 0 296.415 -0.156 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000647777390 419654860 /nfs/dbraw/zinc/65/48/60/419654860.db2.gz NSPKMHPHNDCQEA-AWEZNQCLSA-N 2 0 268.405 -0.260 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)C1CC[NH2+]CC1 ZINC000662633344 419657164 /nfs/dbraw/zinc/65/71/64/419657164.db2.gz KCQOIYFEJPXPLW-UHFFFAOYSA-N 2 0 270.421 -0.014 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)C[NH2+]C1CC1 ZINC000662633246 419658139 /nfs/dbraw/zinc/65/81/39/419658139.db2.gz JOJCUUBVLVDDOZ-UHFFFAOYSA-N 2 0 256.394 -0.262 20 0 CBADRP C[C@@H](C(=O)NCCN(C)CCC[NH+](C)C)[C@H](C)[NH3+] ZINC000662630585 419658627 /nfs/dbraw/zinc/65/86/27/419658627.db2.gz FZNKIVPESFTGII-NEPJUHHUSA-N 2 0 258.410 -0.031 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)NCCN(C)CCC[NH+](C)C ZINC000662630923 419658695 /nfs/dbraw/zinc/65/86/95/419658695.db2.gz IWFFDNQNJMLGSL-GFCCVEGCSA-N 2 0 258.410 -0.016 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000662632127 419658825 /nfs/dbraw/zinc/65/88/25/419658825.db2.gz MVZVWDHNHNPPAA-LBPRGKRZSA-N 2 0 270.421 -0.016 20 0 CBADRP C[C@@H](CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000662633274 419659320 /nfs/dbraw/zinc/65/93/20/419659320.db2.gz JTEGNNJDTMQUAX-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)C2([NH2+]C3CC3)CCC2)CCO1 ZINC000662765885 419714167 /nfs/dbraw/zinc/71/41/67/419714167.db2.gz DWZPFCXJWCIEII-NSHDSACASA-N 2 0 253.346 -0.153 20 0 CBADRP CC1(OCC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)C[NH2+]C1 ZINC000648103414 419727478 /nfs/dbraw/zinc/72/74/78/419727478.db2.gz REYBJRHNMOTNCD-NSHDSACASA-N 2 0 253.346 -0.282 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000648108440 419730811 /nfs/dbraw/zinc/73/08/11/419730811.db2.gz VDSFQKMTLUNKEP-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662796094 419731054 /nfs/dbraw/zinc/73/10/54/419731054.db2.gz IGJVWOROLKKCLQ-MNOVXSKESA-N 2 0 259.350 -0.955 20 0 CBADRP O=C(N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1(O)C[NH2+]C1 ZINC000662805866 419731773 /nfs/dbraw/zinc/73/17/73/419731773.db2.gz ODAMKICLVFZRKY-DGCLKSJQSA-N 2 0 279.384 -0.204 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)COC1(C)C[NH2+]C1 ZINC000648108292 419731934 /nfs/dbraw/zinc/73/19/34/419731934.db2.gz AKMMTQJZMSRRNI-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP CC1(OCC(=O)NC[C@@]2(C)CCC[NH2+]C2)C[NH2+]C1 ZINC000648109031 419732303 /nfs/dbraw/zinc/73/23/03/419732303.db2.gz OJURJLHSFZZYIC-LBPRGKRZSA-N 2 0 255.362 -0.129 20 0 CBADRP CO[C@@H]1CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)[C@@H](C[NH3+])C1 ZINC000648108230 419732447 /nfs/dbraw/zinc/73/24/47/419732447.db2.gz NFAFCGSIYBHNFY-DDHJBXDOSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])C[C@@]1(C)C[NH3+] ZINC000662813609 419737570 /nfs/dbraw/zinc/73/75/70/419737570.db2.gz AXEMKBNCWIWQQB-LSCVPOLPSA-N 2 0 255.362 -0.207 20 0 CBADRP CC(C)[C@H]1CN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)CC[NH2+]1 ZINC000648121670 419740127 /nfs/dbraw/zinc/74/01/27/419740127.db2.gz HWKBHWCXISYENZ-QWHCGFSZSA-N 2 0 296.415 -0.217 20 0 CBADRP O=C([C@@H]1C[NH2+]CCOC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000648124105 419740166 /nfs/dbraw/zinc/74/01/66/419740166.db2.gz QZGUJBNRQLIALT-IJLUTSLNSA-N 2 0 253.346 -0.567 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000648121843 419740408 /nfs/dbraw/zinc/74/04/08/419740408.db2.gz JJFYGXBJTASPKF-LOWVWBTDSA-N 2 0 282.388 -0.561 20 0 CBADRP C[NH2+]CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662832653 419741292 /nfs/dbraw/zinc/74/12/92/419741292.db2.gz JLRGQBFBJPKGNP-GFCCVEGCSA-N 2 0 255.362 -0.081 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662832109 419741897 /nfs/dbraw/zinc/74/18/97/419741897.db2.gz DWRXZERKDIZELK-KGLIPLIRSA-N 2 0 297.399 -0.312 20 0 CBADRP O=C(N1CCC([C@H]2CCC[NH2+]C2)CC1)C1(O)C[NH2+]C1 ZINC000662838811 419744564 /nfs/dbraw/zinc/74/45/64/419744564.db2.gz KBQMVGAUMBGQFO-LBPRGKRZSA-N 2 0 267.373 -0.441 20 0 CBADRP COC[C@]1(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCC[NH2+]1 ZINC000648136530 419748183 /nfs/dbraw/zinc/74/81/83/419748183.db2.gz RLKPGFHZYLNHFM-MPPDQPJWSA-N 2 0 253.346 -0.663 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC[N@@H+]1C ZINC000648136204 419750426 /nfs/dbraw/zinc/75/04/26/419750426.db2.gz GYMDPIUEEJMDMI-MGPQQGTHSA-N 2 0 280.416 -0.167 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC[N@@H+]1C ZINC000648138330 419751084 /nfs/dbraw/zinc/75/10/84/419751084.db2.gz BTULFZXARZQBOH-HZSPNIEDSA-N 2 0 280.416 -0.167 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[C@@H](C)[NH+](C)C ZINC000662858632 419751398 /nfs/dbraw/zinc/75/13/98/419751398.db2.gz HAVSNBLTFKOMGY-PWSUYJOCSA-N 2 0 272.393 -0.458 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662857985 419751524 /nfs/dbraw/zinc/75/15/24/419751524.db2.gz SCIDWYKFCRNRJQ-QWHCGFSZSA-N 2 0 286.420 -0.650 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)CC1([NH3+])CC1 ZINC000662857243 419752395 /nfs/dbraw/zinc/75/23/95/419752395.db2.gz ISKJFGHVTJVQNJ-UHFFFAOYSA-N 2 0 256.394 -0.133 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[C@H](C)[NH+](C)C ZINC000662858631 419753172 /nfs/dbraw/zinc/75/31/72/419753172.db2.gz HAVSNBLTFKOMGY-JQWIXIFHSA-N 2 0 272.393 -0.458 20 0 CBADRP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C1(O)C[NH2+]C1 ZINC000662877941 419759879 /nfs/dbraw/zinc/75/98/79/419759879.db2.gz JSWJRZNMIRZNEK-GFCCVEGCSA-N 2 0 277.324 -0.380 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1CCC[NH2+]1 ZINC000662872744 419760683 /nfs/dbraw/zinc/76/06/83/419760683.db2.gz CGXCBAXBVFCYHQ-LLVKDONJSA-N 2 0 270.377 -0.783 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000662874051 419760732 /nfs/dbraw/zinc/76/07/32/419760732.db2.gz LUWCEIURYHYLDH-PHIMTYICSA-N 2 0 270.377 -0.798 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000662906404 419765709 /nfs/dbraw/zinc/76/57/09/419765709.db2.gz JZSMLKOPPQMYES-STQMWFEESA-N 2 0 284.404 -0.755 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000648176435 419767830 /nfs/dbraw/zinc/76/78/30/419767830.db2.gz RFZBLBUTPBGBPN-AVGNSLFASA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000662906406 419768035 /nfs/dbraw/zinc/76/80/35/419768035.db2.gz KAQSIDNECDUCIN-FMKPAKJESA-N 2 0 292.427 -0.118 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1C[NH2+]CCO1 ZINC000648181078 419770850 /nfs/dbraw/zinc/77/08/50/419770850.db2.gz YVHUJFVXZGIZKU-WDEREUQCSA-N 2 0 253.346 -0.234 20 0 CBADRP C[C@H]1CCN(C(=O)COC2(C)C[NH2+]C2)C[C@@H]1C[NH3+] ZINC000648177704 419770949 /nfs/dbraw/zinc/77/09/49/419770949.db2.gz OXEIJUPNEABWIQ-QWRGUYRKSA-N 2 0 255.362 -0.192 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000662913646 419772824 /nfs/dbraw/zinc/77/28/24/419772824.db2.gz RXGHKTAJYRMPJG-SRVKXCTJSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662920994 419776265 /nfs/dbraw/zinc/77/62/65/419776265.db2.gz CHZNIJJDNJBWMK-UHFFFAOYSA-N 2 0 258.366 -0.798 20 0 CBADRP COCC1(CNC(=O)[C@H]2C[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC000662776615 419717871 /nfs/dbraw/zinc/71/78/71/419717871.db2.gz NDDIDOXUGPISDI-XYPYZODXSA-N 2 0 255.362 -0.144 20 0 CBADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000662778612 419721223 /nfs/dbraw/zinc/72/12/23/419721223.db2.gz GQGBNHXOZOEDLW-OLZOCXBDSA-N 2 0 280.416 -0.119 20 0 CBADRP O=C(N1CC[NH+](C2CCCCC2)CC1)C1(O)C[NH2+]C1 ZINC000662786093 419722813 /nfs/dbraw/zinc/72/28/13/419722813.db2.gz ORAOPYRFGDGRPZ-UHFFFAOYSA-N 2 0 267.373 -0.202 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@H]1CCO[C@H]1C[NH3+])C(F)(F)F ZINC000662783923 419723245 /nfs/dbraw/zinc/72/32/45/419723245.db2.gz PLUIYRJIEXQVLO-FXQIFTODSA-N 2 0 269.267 -0.254 20 0 CBADRP C[NH+](C)CCC[C@H]1CN(C(=O)COC2(C)C[NH2+]C2)CCO1 ZINC000662972985 419801233 /nfs/dbraw/zinc/80/12/33/419801233.db2.gz NMSAFKJNOBEJKR-ZDUSSCGKSA-N 2 0 299.415 -0.066 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](C)CCN2C)CC[N@@H+]1C ZINC000648778914 419802680 /nfs/dbraw/zinc/80/26/80/419802680.db2.gz SXVNEVQVZJGFAW-FRRDWIJNSA-N 2 0 268.405 -0.311 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013950 419809654 /nfs/dbraw/zinc/80/96/54/419809654.db2.gz HUMYNJABUWUHES-NSHDSACASA-N 2 0 292.387 -0.516 20 0 CBADRP C[C@@]1(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC[NH2+]C1 ZINC000663011743 419809680 /nfs/dbraw/zinc/80/96/80/419809680.db2.gz QVYNSEYZYBJZLG-ZWNOBZJWSA-N 2 0 278.360 -0.488 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)N1CCOC2(C[NH2+]C2)C1 ZINC000663217067 419827655 /nfs/dbraw/zinc/82/76/55/419827655.db2.gz BKYQKDQMEXIENQ-JTQLQIEISA-N 2 0 271.386 -0.718 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCOC3(C[NH2+]C3)C2)CC[N@@H+]1C ZINC000663218017 419829182 /nfs/dbraw/zinc/82/91/82/419829182.db2.gz VYYXBWYSHHPMDK-GHMZBOCLSA-N 2 0 253.346 -0.473 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)CC[N@@H+]1C ZINC000649069670 419833255 /nfs/dbraw/zinc/83/32/55/419833255.db2.gz XNBUCAWOIIMEQN-FRRDWIJNSA-N 2 0 296.415 -0.095 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CCOC2(C)C)CC1 ZINC000663369601 419833581 /nfs/dbraw/zinc/83/35/81/419833581.db2.gz CMIXCDTXBSOKJK-KBPBESRZSA-N 2 0 285.432 -0.001 20 0 CBADRP CC[NH+]1CCN(CCNc2cc[nH+]cc2C(N)=O)CC1 ZINC000663395612 419835875 /nfs/dbraw/zinc/83/58/75/419835875.db2.gz AUHLWFRGTUJNAE-UHFFFAOYSA-N 2 0 277.372 -0.348 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCOC2(C[NH2+]C2)C1)c1ccccc1 ZINC000663485813 419840027 /nfs/dbraw/zinc/84/00/27/419840027.db2.gz YRLDVEIQMDJMSR-GFCCVEGCSA-N 2 0 261.325 -0.113 20 0 CBADRP CN1CCN(Cc2nc3c(s2)C[NH2+]CC3)[C@@H](C[NH3+])C1 ZINC000663493775 419841478 /nfs/dbraw/zinc/84/14/78/419841478.db2.gz JVPAHDZTASRULC-JTQLQIEISA-N 2 0 281.429 -0.137 20 0 CBADRP C[N@@H+](CC(=O)N1CCCC1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000663499144 419842315 /nfs/dbraw/zinc/84/23/15/419842315.db2.gz AYWCSICXHARQSL-CYBMUJFWSA-N 2 0 296.415 -0.262 20 0 CBADRP C[N@@H+](CC(=O)N1CCCC1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000663499145 419842353 /nfs/dbraw/zinc/84/23/53/419842353.db2.gz AYWCSICXHARQSL-ZDUSSCGKSA-N 2 0 296.415 -0.262 20 0 CBADRP O=C(CCC1CC[NH2+]CC1)N1CCOC2(C[NH2+]C2)C1 ZINC000663492713 419843274 /nfs/dbraw/zinc/84/32/74/419843274.db2.gz WNPLUUJOEYOEMN-UHFFFAOYSA-N 2 0 267.373 -0.033 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000662946726 419789148 /nfs/dbraw/zinc/78/91/48/419789148.db2.gz YMDVTWOICYDNPN-GFCCVEGCSA-N 2 0 284.404 -0.265 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000662946294 419789354 /nfs/dbraw/zinc/78/93/54/419789354.db2.gz QTFYUNHYHGXTJI-SCZZXKLOSA-N 2 0 279.344 -0.355 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]cn2)C[C@H](C)[NH2+]1 ZINC000662953753 419793383 /nfs/dbraw/zinc/79/33/83/419793383.db2.gz PNJGPOLBYQSCPQ-AOOOYVTPSA-N 2 0 279.344 -0.423 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000662961715 419794852 /nfs/dbraw/zinc/79/48/52/419794852.db2.gz HHIXGIYOTYWDIT-LLVKDONJSA-N 2 0 270.377 -0.654 20 0 CBADRP C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000347242412 419795657 /nfs/dbraw/zinc/79/56/57/419795657.db2.gz UHEBZEZFTMSQRB-QWHCGFSZSA-N 2 0 269.389 -0.004 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000662968110 419798769 /nfs/dbraw/zinc/79/87/69/419798769.db2.gz SAUVLTAGUKKUPQ-UWVGGRQHSA-N 2 0 266.349 -0.460 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662968864 419799208 /nfs/dbraw/zinc/79/92/08/419799208.db2.gz KTXSCNAUSDEEQW-MNOVXSKESA-N 2 0 280.376 -0.070 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649298821 419869991 /nfs/dbraw/zinc/86/99/91/419869991.db2.gz ALLQVGRBDMKYBE-GDNZZTSVSA-N 2 0 255.362 -0.464 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2[NH2+]CC2(C)C)n1 ZINC000649313258 419877121 /nfs/dbraw/zinc/87/71/21/419877121.db2.gz UYKRUHNYZXPRSZ-NSHDSACASA-N 2 0 265.361 0.381 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000649313262 419880632 /nfs/dbraw/zinc/88/06/32/419880632.db2.gz VDHCNNWZLJISDV-IAZYJMLFSA-N 2 0 263.345 -0.151 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)COC1(C)C[NH2+]C1 ZINC000649318772 419880644 /nfs/dbraw/zinc/88/06/44/419880644.db2.gz KNZLUQAQDSMGGF-GFCCVEGCSA-N 2 0 285.388 -0.408 20 0 CBADRP CC1(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[NH2+]C1 ZINC000649320958 419882763 /nfs/dbraw/zinc/88/27/63/419882763.db2.gz GSWQKPHTFAJUQI-VXGBXAGGSA-N 2 0 267.373 -0.347 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000649321383 419883090 /nfs/dbraw/zinc/88/30/90/419883090.db2.gz VVIOITJJNIJPQH-RDBSUJKOSA-N 2 0 297.399 -0.578 20 0 CBADRP [NH3+]CCOCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000357075327 419883939 /nfs/dbraw/zinc/88/39/39/419883939.db2.gz GWMWZMWSYYPUPB-UHFFFAOYSA-N 2 0 265.361 0.328 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000649323583 419888267 /nfs/dbraw/zinc/88/82/67/419888267.db2.gz DZOFQZSIRUAQIR-WZRBSPASSA-N 2 0 253.346 -0.425 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649323568 419888852 /nfs/dbraw/zinc/88/88/52/419888852.db2.gz CRTRZUWDAFHRJP-KXNHARMFSA-N 2 0 253.346 -0.426 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCOCC1 ZINC000649332390 419890402 /nfs/dbraw/zinc/89/04/02/419890402.db2.gz YEPNJSGUHCAUSW-UTUOFQBUSA-N 2 0 267.373 -0.036 20 0 CBADRP COC1CC[NH+](CCNC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649343207 419898815 /nfs/dbraw/zinc/89/88/15/419898815.db2.gz NZRPUUHCIVJDSN-UHFFFAOYSA-N 2 0 285.388 -0.408 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000649350214 419898842 /nfs/dbraw/zinc/89/88/42/419898842.db2.gz QEFUVDOFIIBGPL-LLVKDONJSA-N 2 0 254.378 -0.652 20 0 CBADRP O=C(N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000649345128 419898957 /nfs/dbraw/zinc/89/89/57/419898957.db2.gz MBURTZLBURJNID-GUTXKFCHSA-N 2 0 279.384 -0.081 20 0 CBADRP C[C@@H](NC(=O)NC[C@]1(O)CC[N@H+](C)C1)c1nccn1C ZINC000667251669 544658076 /nfs/dbraw/zinc/65/80/76/544658076.db2.gz RPILXLAUWSEEML-ZWNOBZJWSA-N 2 0 281.360 -0.153 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649349795 419899338 /nfs/dbraw/zinc/89/93/38/419899338.db2.gz WTZCAUFEBWRQFW-UPJWGTAASA-N 2 0 266.389 -0.510 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649350583 419899452 /nfs/dbraw/zinc/89/94/52/419899452.db2.gz QOCYPSOOOSCADH-SYQHCUMBSA-N 2 0 280.416 -0.121 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000358523520 419899804 /nfs/dbraw/zinc/89/98/04/419899804.db2.gz LOWGTAPAWRHPIC-NWDGAFQWSA-N 2 0 299.419 -0.425 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N1 ZINC000667811783 544674248 /nfs/dbraw/zinc/67/42/48/544674248.db2.gz WDVWJBIAPDZRIM-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CO[C@H](C[NH3+])C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000649351767 419902721 /nfs/dbraw/zinc/90/27/21/419902721.db2.gz QIPWQZQSJDEJCI-CYBMUJFWSA-N 2 0 293.371 -0.254 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000664407373 419903470 /nfs/dbraw/zinc/90/34/70/419903470.db2.gz WWWNXLMGHGDXQE-GHYVTOPFSA-N 2 0 296.415 -0.215 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000649351768 419903515 /nfs/dbraw/zinc/90/35/15/419903515.db2.gz QIPWQZQSJDEJCI-ZDUSSCGKSA-N 2 0 293.371 -0.254 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649352159 419904060 /nfs/dbraw/zinc/90/40/60/419904060.db2.gz XXGFOZDXLALBID-NDBYEHHHSA-N 2 0 266.389 -0.796 20 0 CBADRP C[C@@H](C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[NH+](C)C ZINC000649360407 419904152 /nfs/dbraw/zinc/90/41/52/419904152.db2.gz QRSHHCQZESSXJO-VHSXEESVSA-N 2 0 296.337 -0.111 20 0 CBADRP C[C@@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[NH+](C)C ZINC000649361761 419904734 /nfs/dbraw/zinc/90/47/34/419904734.db2.gz VKGFCEYUOVTQTO-NWDGAFQWSA-N 2 0 254.378 -0.557 20 0 CBADRP CN(C)C(=O)CN1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000649411151 419908782 /nfs/dbraw/zinc/90/87/82/419908782.db2.gz XCLVREOBQZVUCP-CYBMUJFWSA-N 2 0 268.405 -0.308 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000649410846 419909254 /nfs/dbraw/zinc/90/92/54/419909254.db2.gz YIJXFNLNDHOOJR-JSGCOSHPSA-N 2 0 298.431 -0.365 20 0 CBADRP [NH3+]CCOCCN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000649412459 419910482 /nfs/dbraw/zinc/91/04/82/419910482.db2.gz NINSSIGCKURCEL-CHWSQXEVSA-N 2 0 257.378 -0.507 20 0 CBADRP COC[C@@H](OC)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000668302392 544692085 /nfs/dbraw/zinc/69/20/85/544692085.db2.gz GICUQUJKGFVULG-GFCCVEGCSA-N 2 0 275.393 -0.400 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC2CC[NH+](C)CC2)C1 ZINC000358676995 419911672 /nfs/dbraw/zinc/91/16/72/419911672.db2.gz LXODZGLNHFBYJN-ZDUSSCGKSA-N 2 0 270.377 -0.554 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000358674583 419912281 /nfs/dbraw/zinc/91/22/81/419912281.db2.gz BNRJJRQEHGOQMH-NFAWXSAZSA-N 2 0 296.415 -0.021 20 0 CBADRP CC(C)[C@H](C(=O)N1CCOC2(C[NH2+]C2)C1)[NH+](C)C ZINC000664726223 419914408 /nfs/dbraw/zinc/91/44/08/419914408.db2.gz ZLVGBDUTHHZFKC-LLVKDONJSA-N 2 0 255.362 -0.227 20 0 CBADRP CCN(C(=O)C(=O)NCC[NH+](C)C1CC1)[C@@H]1CC[N@H+](C)C1 ZINC000668656852 544712814 /nfs/dbraw/zinc/71/28/14/544712814.db2.gz FANXEELAXFWVID-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC(=O)N1 ZINC000668666487 544714701 /nfs/dbraw/zinc/71/47/01/544714701.db2.gz IFUXWPQFBVQMFJ-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+](C)C2)CCO1 ZINC000669403284 544749268 /nfs/dbraw/zinc/74/92/68/544749268.db2.gz RHVSDZIJFZFPIS-SRVKXCTJSA-N 2 0 270.377 -0.162 20 0 CBADRP CC(C)[C@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000669514868 544752154 /nfs/dbraw/zinc/75/21/54/544752154.db2.gz NVCGKKOQTOLTOH-NWDGAFQWSA-N 2 0 255.362 -0.179 20 0 CBADRP CC(C)[C@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CC[NH2+]1 ZINC000669514950 544752646 /nfs/dbraw/zinc/75/26/46/544752646.db2.gz VDXUCOPVLJFIOI-VXGBXAGGSA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)CCO1 ZINC000669512837 544752713 /nfs/dbraw/zinc/75/27/13/544752713.db2.gz ZRGQXQUYUCMWTJ-WISYIIOYSA-N 2 0 255.362 -0.051 20 0 CBADRP CC(C)[C@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CC[NH2+]1 ZINC000669514949 544752862 /nfs/dbraw/zinc/75/28/62/544752862.db2.gz VDXUCOPVLJFIOI-NWDGAFQWSA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C[N@@H+]1C1CC1 ZINC000669524699 544753093 /nfs/dbraw/zinc/75/30/93/544753093.db2.gz ZIANSXUTKKJTKZ-YRGRVCCFSA-N 2 0 295.431 -0.104 20 0 CBADRP CC[NH+](CC)CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000670407124 544784162 /nfs/dbraw/zinc/78/41/62/544784162.db2.gz KYRWUCRSZOCCIP-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP CN1CCN(C(=O)CC[N@@H+]2CCc3c[nH]nc3C2)CC1 ZINC000669932102 544768405 /nfs/dbraw/zinc/76/84/05/544768405.db2.gz TUROJCOUISXVRW-UHFFFAOYSA-N 2 0 277.372 -0.068 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000671816897 544834502 /nfs/dbraw/zinc/83/45/02/544834502.db2.gz MVZFOTYIYUZPMS-NEPJUHHUSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000671820987 544836111 /nfs/dbraw/zinc/83/61/11/544836111.db2.gz XSMFTIVSBHJKFB-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+](C)C1CC1 ZINC000672207852 544842472 /nfs/dbraw/zinc/84/24/72/544842472.db2.gz IKXAAXSOHLGFKL-NWDGAFQWSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000651269607 419994610 /nfs/dbraw/zinc/99/46/10/419994610.db2.gz GTVUYQRONZBILD-TXEJJXNPSA-N 2 0 299.419 -0.615 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)n1 ZINC000665294605 419937380 /nfs/dbraw/zinc/93/73/80/419937380.db2.gz RTVJFNGVJBLHMO-SMDDNHRTSA-N 2 0 293.371 -0.503 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCN(C)S(C)(=O)=O ZINC000665230650 419937428 /nfs/dbraw/zinc/93/74/28/419937428.db2.gz SVLRCSUDHZKNCO-UWVGGRQHSA-N 2 0 251.396 -0.017 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CN[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000665295018 419937514 /nfs/dbraw/zinc/93/75/14/419937514.db2.gz ZRNZEDWNKYYWBZ-PSASIEDQSA-N 2 0 251.334 -0.142 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCN(C)S(C)(=O)=O ZINC000665230649 419937789 /nfs/dbraw/zinc/93/77/89/419937789.db2.gz SVLRCSUDHZKNCO-NXEZZACHSA-N 2 0 251.396 -0.017 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665294668 419938332 /nfs/dbraw/zinc/93/83/32/419938332.db2.gz TZFMNQPEUCBGBZ-WPRPVWTQSA-N 2 0 251.334 -0.272 20 0 CBADRP CC[N@H+](CC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C1CC1 ZINC000650306684 419950107 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CBADRP COCC[C@]1(C(=O)N2CCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000364559898 420041081 /nfs/dbraw/zinc/04/10/81/420041081.db2.gz BHIOQVKPSKQDAT-DGCLKSJQSA-N 2 0 255.362 -0.048 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364565188 420041787 /nfs/dbraw/zinc/04/17/87/420041787.db2.gz YZJWAFOGDPGKOO-TZMCWYRMSA-N 2 0 266.389 -0.603 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000652612316 420070494 /nfs/dbraw/zinc/07/04/94/420070494.db2.gz OZGQMGZQKOEDKC-SECBINFHSA-N 2 0 254.338 -0.087 20 0 CBADRP CCO[C@@H]1CN(C(=O)N[C@@H](C)CC[NH3+])C[C@H]1C[NH3+] ZINC000652211532 420050903 /nfs/dbraw/zinc/05/09/03/420050903.db2.gz BGJUQADKDMFXNV-HBNTYKKESA-N 2 0 258.366 -0.271 20 0 CBADRP CCO[C@@H]1CN(C(=O)NC[C@@H](C)C[NH3+])C[C@H]1C[NH3+] ZINC000652210288 420051886 /nfs/dbraw/zinc/05/18/86/420051886.db2.gz MQQQRYKSZLYDQE-HBNTYKKESA-N 2 0 258.366 -0.414 20 0 CBADRP [NH3+]CC1(CCNC(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000652224098 420052916 /nfs/dbraw/zinc/05/29/16/420052916.db2.gz TWTZOILCQNDXKK-NSHDSACASA-N 2 0 270.377 -0.207 20 0 CBADRP CCO[C@@H]1CN(C(=O)N[C@@H](C)[C@H](C)[NH3+])C[C@H]1C[NH3+] ZINC000652220746 420052922 /nfs/dbraw/zinc/05/29/22/420052922.db2.gz IKXQHNGVTFTQAM-UKKRHICBSA-N 2 0 258.366 -0.273 20 0 CBADRP CN1CCN(C(=O)NCCC2(C[NH3+])CC2)[C@@H](C[NH3+])C1 ZINC000652231899 420053923 /nfs/dbraw/zinc/05/39/23/420053923.db2.gz JVKXIVKXOSXRRL-NSHDSACASA-N 2 0 269.393 -0.600 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652237082 420054620 /nfs/dbraw/zinc/05/46/20/420054620.db2.gz GFWNTUAUSWQHMI-CYBMUJFWSA-N 2 0 270.377 -0.519 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000365105692 420055183 /nfs/dbraw/zinc/05/51/83/420055183.db2.gz QKMZOZNJYHMRAW-HJQYOEGKSA-N 2 0 253.346 -0.692 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCCC1CC[NH2+]CC1 ZINC000652315760 420056477 /nfs/dbraw/zinc/05/64/77/420056477.db2.gz CTDJYHMNAGSGQR-CQSZACIVSA-N 2 0 286.420 -0.012 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000365159523 420056512 /nfs/dbraw/zinc/05/65/12/420056512.db2.gz YWEDQWQBSFOTBP-NNYUYHANSA-N 2 0 255.362 -0.302 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652676632 420070361 /nfs/dbraw/zinc/07/03/61/420070361.db2.gz CQDKJGAVLNPMJZ-NSHDSACASA-N 2 0 284.404 -0.312 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000366932200 420095324 /nfs/dbraw/zinc/09/53/24/420095324.db2.gz JRUIZSBYVSCMMF-CYDGBPFRSA-N 2 0 267.373 -0.443 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H]1c1ccc(F)cc1 ZINC000366770447 420096498 /nfs/dbraw/zinc/09/64/98/420096498.db2.gz DFJQLNKLPKJNHH-XDQVBPFNSA-N 2 0 293.342 -0.198 20 0 CBADRP COCC1(CNC(=O)[C@]2(F)CC[NH2+]C2)CC[NH2+]CC1 ZINC000367375802 420102860 /nfs/dbraw/zinc/10/28/60/420102860.db2.gz WXSWRQMHKAETNI-ZDUSSCGKSA-N 2 0 273.352 -0.180 20 0 CBADRP CC[C@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[NH+](C)C ZINC000367376876 420103646 /nfs/dbraw/zinc/10/36/46/420103646.db2.gz DQBUZQQJPCKBRA-CHWSQXEVSA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@@H](CNC(=O)[C@H](N)CC[NH+](C)C)[NH+]1CCCC1 ZINC000653347592 420142113 /nfs/dbraw/zinc/14/21/13/420142113.db2.gz HBQGAHWQCNVBPF-NWDGAFQWSA-N 2 0 256.394 -0.134 20 0 CBADRP CCC[NH2+]CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000367471416 420107829 /nfs/dbraw/zinc/10/78/29/420107829.db2.gz QTVQLVYYYBOZTD-OLZOCXBDSA-N 2 0 279.388 -0.161 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@H]1CCC[NH2+]CC1 ZINC000653043119 420107941 /nfs/dbraw/zinc/10/79/41/420107941.db2.gz BEWHAEFWEORECF-ZDUSSCGKSA-N 2 0 268.405 -0.212 20 0 CBADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653046212 420109748 /nfs/dbraw/zinc/10/97/48/420109748.db2.gz OIKPSODFHURNAF-GVXVVHGQSA-N 2 0 253.346 -0.519 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653046303 420110124 /nfs/dbraw/zinc/11/01/24/420110124.db2.gz SNTDSFOQBYJILM-GVXVVHGQSA-N 2 0 253.346 -0.662 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653045851 420110150 /nfs/dbraw/zinc/11/01/50/420110150.db2.gz QKVOHZOUIXNOJQ-GFCCVEGCSA-N 2 0 282.388 -0.734 20 0 CBADRP O=C(NCC[C@H]1CC[NH2+]C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653049530 420110215 /nfs/dbraw/zinc/11/02/15/420110215.db2.gz QJBNGHWYUFSKRW-MDZLAQPJSA-N 2 0 253.346 -0.662 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000653054163 420111059 /nfs/dbraw/zinc/11/10/59/420111059.db2.gz AJPVXHBTXIXYJN-VHSXEESVSA-N 2 0 293.375 -0.330 20 0 CBADRP CN1CCN(C(=O)[C@H]2CCC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000653055206 420111074 /nfs/dbraw/zinc/11/10/74/420111074.db2.gz VMXXNIVBMMNXBO-RYUDHWBXSA-N 2 0 254.378 -0.523 20 0 CBADRP CN1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H](C[NH3+])C1 ZINC000653054970 420111761 /nfs/dbraw/zinc/11/17/61/420111761.db2.gz DJIMHQULLKMTSG-SDDRHHMPSA-N 2 0 254.378 -0.395 20 0 CBADRP CN1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000653055204 420111964 /nfs/dbraw/zinc/11/19/64/420111964.db2.gz VMXXNIVBMMNXBO-NEPJUHHUSA-N 2 0 254.378 -0.523 20 0 CBADRP CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](N)CC[NH+](C)C ZINC000653080546 420112546 /nfs/dbraw/zinc/11/25/46/420112546.db2.gz KZHAKWQCRUPBAF-GARJFASQSA-N 2 0 272.393 -0.315 20 0 CBADRP C[C@H](NC(=O)[C@H](N)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC000653078216 420113707 /nfs/dbraw/zinc/11/37/07/420113707.db2.gz ZOVGTQFAALBURX-VHSXEESVSA-N 2 0 272.393 -0.315 20 0 CBADRP CCCN(CC(=O)N(C)C)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653076391 420113888 /nfs/dbraw/zinc/11/38/88/420113888.db2.gz UEDZRCMMFIFUSC-NSHDSACASA-N 2 0 272.393 -0.408 20 0 CBADRP C[C@@H](NC(=O)[C@H](N)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC000653078214 420113913 /nfs/dbraw/zinc/11/39/13/420113913.db2.gz ZOVGTQFAALBURX-NXEZZACHSA-N 2 0 272.393 -0.315 20 0 CBADRP C[C@H]1CN(C(=O)C2C[NH2+]C2)CCN1C1CC[NH+](C)CC1 ZINC000367824990 420117456 /nfs/dbraw/zinc/11/74/56/420117456.db2.gz QRDOREMOHZRZCH-LBPRGKRZSA-N 2 0 280.416 -0.167 20 0 CBADRP O=C(N1CC[NH+](CC2CC2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653111175 420117818 /nfs/dbraw/zinc/11/78/18/420117818.db2.gz HETGMTACNGTLMK-ZFWWWQNUSA-N 2 0 279.384 -0.223 20 0 CBADRP CC(C)[N@H+](C)CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653115358 420118480 /nfs/dbraw/zinc/11/84/80/420118480.db2.gz LWPPTYCWKCKPKE-AAEUAGOBSA-N 2 0 255.362 -0.321 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653116843 420118950 /nfs/dbraw/zinc/11/89/50/420118950.db2.gz WENLMTXJZQXSRT-STQMWFEESA-N 2 0 286.420 -0.508 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000653117923 420119525 /nfs/dbraw/zinc/11/95/25/420119525.db2.gz ZPPBFKHMJXYPAB-CHWSQXEVSA-N 2 0 268.405 -0.134 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000653116456 420119971 /nfs/dbraw/zinc/11/99/71/420119971.db2.gz HNYAPGYJOXHOSJ-MJBXVCDLSA-N 2 0 298.431 -0.677 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000653115200 420120095 /nfs/dbraw/zinc/12/00/95/420120095.db2.gz GNVFCOTVUKYMLQ-QWHCGFSZSA-N 2 0 268.405 -0.038 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000653117926 420120188 /nfs/dbraw/zinc/12/01/88/420120188.db2.gz ZPPBFKHMJXYPAB-STQMWFEESA-N 2 0 268.405 -0.134 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653122266 420120693 /nfs/dbraw/zinc/12/06/93/420120693.db2.gz RQLLDVWHFHYYRB-WFASDCNBSA-N 2 0 297.399 -0.551 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)[C@H](N)CC[NH+](C)C ZINC000653149902 420122738 /nfs/dbraw/zinc/12/27/38/420122738.db2.gz KYERABQVODRHJA-GFCCVEGCSA-N 2 0 274.409 -0.698 20 0 CBADRP O=C(N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653143570 420122893 /nfs/dbraw/zinc/12/28/93/420122893.db2.gz TYYVKBYYZCTGTJ-UHXUPSOCSA-N 2 0 265.357 -0.567 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653147080 420123508 /nfs/dbraw/zinc/12/35/08/420123508.db2.gz MYAYBHQUXQKZGQ-ZPFDUUQYSA-N 2 0 253.346 -0.534 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000653148750 420123625 /nfs/dbraw/zinc/12/36/25/420123625.db2.gz KCRMUSQGZAYHIP-NEPJUHHUSA-N 2 0 256.394 -0.182 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653163230 420124598 /nfs/dbraw/zinc/12/45/98/420124598.db2.gz MUDRJLPTVMQGFJ-TUAOUCFPSA-N 2 0 253.346 -0.378 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C[C@@H]1C[NH3+] ZINC000653163173 420125091 /nfs/dbraw/zinc/12/50/91/420125091.db2.gz KENFEALNRMQORY-UHXUPSOCSA-N 2 0 267.373 -0.334 20 0 CBADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1COC3)C2 ZINC000653193518 420126791 /nfs/dbraw/zinc/12/67/91/420126791.db2.gz WDRGZXDFVVYRRK-JURCDPSOSA-N 2 0 279.384 -0.190 20 0 CBADRP [NH3+]Cc1ccc(CNC(=O)[C@@H]2C[NH2+]CCO2)c(F)c1 ZINC000653225935 420127411 /nfs/dbraw/zinc/12/74/11/420127411.db2.gz KXVBHKNRKKGMNL-LBPRGKRZSA-N 2 0 267.304 -0.111 20 0 CBADRP CCO[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000653243997 420129461 /nfs/dbraw/zinc/12/94/61/420129461.db2.gz UHAOGIOFBWVFOZ-GRYCIOLGSA-N 2 0 271.361 -0.813 20 0 CBADRP CCO[C@@H]1CN(C(=O)C[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000653247530 420129724 /nfs/dbraw/zinc/12/97/24/420129724.db2.gz GQGCGNBOZIBYHX-IJLUTSLNSA-N 2 0 255.362 -0.192 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1C[NH3+] ZINC000653247584 420130248 /nfs/dbraw/zinc/13/02/48/420130248.db2.gz JCVQMUCEKJXMQG-ZIQFBCGOSA-N 2 0 253.346 -0.726 20 0 CBADRP CCO[C@@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)C[C@H]1C[NH3+] ZINC000653247723 420130360 /nfs/dbraw/zinc/13/03/60/420130360.db2.gz OJIQVPBHAYOPQJ-GRYCIOLGSA-N 2 0 271.361 -0.813 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)C[C@H]1C[NH3+] ZINC000653249249 420131137 /nfs/dbraw/zinc/13/11/37/420131137.db2.gz UBOXFSZUTXIQPR-IJLUTSLNSA-N 2 0 272.393 -0.912 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)[N@@H+]1CCC[C@H](C)C1 ZINC000368433488 420132828 /nfs/dbraw/zinc/13/28/28/420132828.db2.gz MPFABAJCRQHCAK-QNWHQSFQSA-N 2 0 269.389 -0.054 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000368451382 420133458 /nfs/dbraw/zinc/13/34/58/420133458.db2.gz RVWODOQFMULFMZ-KGLIPLIRSA-N 2 0 280.416 -0.118 20 0 CBADRP O=C(CCOC1C[NH2+]C1)NCCC1CC[NH2+]CC1 ZINC000653272489 420133502 /nfs/dbraw/zinc/13/35/02/420133502.db2.gz QHIBHZAJOJYELQ-UHFFFAOYSA-N 2 0 255.362 -0.129 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000653275010 420134578 /nfs/dbraw/zinc/13/45/78/420134578.db2.gz UNZJSEGGDGRBDS-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000653283256 420136168 /nfs/dbraw/zinc/13/61/68/420136168.db2.gz WQWYOMIOAFUJOJ-NXEZZACHSA-N 2 0 257.334 -0.964 20 0 CBADRP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CCC[C@@H]2CO)C1=O ZINC000653285493 420137925 /nfs/dbraw/zinc/13/79/25/420137925.db2.gz QJEWGMUTPXYFGP-NEPJUHHUSA-N 2 0 283.372 -0.478 20 0 CBADRP CN1CCC[C@@H]([NH2+][C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000653283971 420138679 /nfs/dbraw/zinc/13/86/79/420138679.db2.gz UTUIIGQYXLQEID-NEPJUHHUSA-N 2 0 282.388 -0.641 20 0 CBADRP C[C@H](CNC(=O)[C@H](N)CC[NH+](C)C)[NH+]1CCCC1 ZINC000653347594 420140942 /nfs/dbraw/zinc/14/09/42/420140942.db2.gz HBQGAHWQCNVBPF-VXGBXAGGSA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652677353 420070774 /nfs/dbraw/zinc/07/07/74/420070774.db2.gz ZARUHIWERKAHCL-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP CN(CC[NH3+])C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000652612578 420071017 /nfs/dbraw/zinc/07/10/17/420071017.db2.gz WOCCSPRVWMHUTC-UHFFFAOYSA-N 2 0 254.338 -0.133 20 0 CBADRP C[C@H]([NH3+])CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000652612317 420071200 /nfs/dbraw/zinc/07/12/00/420071200.db2.gz OZGQMGZQKOEDKC-VIFPVBQESA-N 2 0 254.338 -0.087 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)[N@H+](C)C1CC1 ZINC000652686581 420072017 /nfs/dbraw/zinc/07/20/17/420072017.db2.gz KPXCRBWQXSLSNV-NSHDSACASA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652696554 420073312 /nfs/dbraw/zinc/07/33/12/420073312.db2.gz MRBRASAESYUZPU-UHFFFAOYSA-N 2 0 270.377 -0.734 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000652700388 420076302 /nfs/dbraw/zinc/07/63/02/420076302.db2.gz QKGQPDLMOMZBHT-CYBMUJFWSA-N 2 0 298.431 -0.066 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652714855 420077760 /nfs/dbraw/zinc/07/77/60/420077760.db2.gz TWQHNROESVLJCN-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1=O ZINC000652733691 420078913 /nfs/dbraw/zinc/07/89/13/420078913.db2.gz NVECRENPFHULOK-GFCCVEGCSA-N 2 0 282.388 -0.830 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000652731310 420078929 /nfs/dbraw/zinc/07/89/29/420078929.db2.gz HITPNZFYOBCBSA-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000652731659 420079285 /nfs/dbraw/zinc/07/92/85/420079285.db2.gz QHLZBCAIGRTXNX-UHFFFAOYSA-N 2 0 282.388 -0.638 20 0 CBADRP C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000366347199 420082979 /nfs/dbraw/zinc/08/29/79/420082979.db2.gz NPTJKNQEXFDGID-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000366347058 420083979 /nfs/dbraw/zinc/08/39/79/420083979.db2.gz MXZLSPYWQIYURL-NWDGAFQWSA-N 2 0 255.362 -0.048 20 0 CBADRP COCC1(C(=O)NCC[NH2+]C2CC2)CC[NH2+]CC1 ZINC000366459240 420085578 /nfs/dbraw/zinc/08/55/78/420085578.db2.gz WXUXYGKGEGDNPL-UHFFFAOYSA-N 2 0 255.362 -0.129 20 0 CBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)CCN2CCOCC2)C1 ZINC000366732834 420093059 /nfs/dbraw/zinc/09/30/59/420093059.db2.gz AFMKDBXINBIJIY-AWEZNQCLSA-N 2 0 299.415 -0.114 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000370766944 420185788 /nfs/dbraw/zinc/18/57/88/420185788.db2.gz QMRPXQJSQPTGLI-AWEZNQCLSA-N 2 0 287.404 -0.303 20 0 CBADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)NC(N)=O)C[C@@H]1C[NH3+] ZINC000397377729 420216452 /nfs/dbraw/zinc/21/64/52/420216452.db2.gz JDBYACBHKJIUNH-UTLUCORTSA-N 2 0 256.350 -0.123 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000654662450 420190024 /nfs/dbraw/zinc/19/00/24/420190024.db2.gz OVPOERDDPUQQGQ-MBNYWOFBSA-N 2 0 284.404 -0.308 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)n1 ZINC000375252757 420193018 /nfs/dbraw/zinc/19/30/18/420193018.db2.gz MGOXHRDZQIKFPH-FZMZJTMJSA-N 2 0 277.372 0.383 20 0 CBADRP CC[N@H+](C)C[C@H](O)Cn1cc(CCCC[NH3+])nn1 ZINC000385279616 420199815 /nfs/dbraw/zinc/19/98/15/420199815.db2.gz KCEIRRFLHODRAP-LBPRGKRZSA-N 2 0 255.366 -0.128 20 0 CBADRP C[N@H+](C[C@@H](O)CNC[C@@H](O)C(F)(F)F)C1CC1 ZINC000383990740 420200192 /nfs/dbraw/zinc/20/01/92/420200192.db2.gz NDBAMWWXNGZRLZ-DTWKUNHWSA-N 2 0 256.268 -0.046 20 0 CBADRP C[N@H+](C[C@H](O)Cn1cc(CCC[NH3+])nn1)C1CC1 ZINC000386061787 420203168 /nfs/dbraw/zinc/20/31/68/420203168.db2.gz DOJDFTPQYZWMGW-LBPRGKRZSA-N 2 0 253.350 -0.376 20 0 CBADRP C[C@H](CC[NH+](C)C)NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000386629781 420203565 /nfs/dbraw/zinc/20/35/65/420203565.db2.gz PFYILYPVRCDVHJ-GHMZBOCLSA-N 2 0 279.406 -0.766 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000388501590 420204417 /nfs/dbraw/zinc/20/44/17/420204417.db2.gz HJSNPUOXEOKBIH-RYUDHWBXSA-N 2 0 291.417 -0.669 20 0 CBADRP C[NH2+][C@H](C)c1cn(C[C@@H](O)C[N@H+](C)CCOC)nn1 ZINC000388647225 420204647 /nfs/dbraw/zinc/20/46/47/420204647.db2.gz YUTCKWZHKNZVFU-MNOVXSKESA-N 2 0 271.365 -0.502 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000388501588 420206068 /nfs/dbraw/zinc/20/60/68/420206068.db2.gz HJSNPUOXEOKBIH-NEPJUHHUSA-N 2 0 291.417 -0.669 20 0 CBADRP CCC[C@H]([NH3+])c1cn(C[C@H](O)CN2CCOCC2)nn1 ZINC000394264278 420211584 /nfs/dbraw/zinc/21/15/84/420211584.db2.gz OKUBRAZLUQKOFX-NEPJUHHUSA-N 2 0 283.376 -0.229 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@]12CCNC2=O ZINC000653717278 420157928 /nfs/dbraw/zinc/15/79/28/420157928.db2.gz ODASTADPBMJSMR-GXTWGEPZSA-N 2 0 285.388 -0.720 20 0 CBADRP C[N@H+](C[C@@H](O)CN1CC[NH+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000653829763 420166621 /nfs/dbraw/zinc/16/66/21/420166621.db2.gz WAAFUINGBCNGQC-BFHYXJOUSA-N 2 0 269.389 -0.808 20 0 CBADRP CS(=O)(=O)NCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400981354 420222696 /nfs/dbraw/zinc/22/26/96/420222696.db2.gz UQNHKRCDFLXPLQ-SDDRHHMPSA-N 2 0 275.418 -0.097 20 0 CBADRP COCC[N@H+](C)C[C@H](O)Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000404622154 420224582 /nfs/dbraw/zinc/22/45/82/420224582.db2.gz OVSRXGYHSYIFAR-ZDUSSCGKSA-N 2 0 297.403 -0.316 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000404622153 420224961 /nfs/dbraw/zinc/22/49/61/420224961.db2.gz OVSRXGYHSYIFAR-CYBMUJFWSA-N 2 0 297.403 -0.316 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000405375851 420225433 /nfs/dbraw/zinc/22/54/33/420225433.db2.gz BGVOXVNXFLKJJL-XQQFMLRXSA-N 2 0 257.378 -0.950 20 0 CBADRP CCO[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@H]1C[NH3+] ZINC000405503891 420227891 /nfs/dbraw/zinc/22/78/91/420227891.db2.gz CUQROQBGHJCCDC-GHMZBOCLSA-N 2 0 269.345 -0.569 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000655245222 420232929 /nfs/dbraw/zinc/23/29/29/420232929.db2.gz FVPAMFDUFDDXRH-MJBXVCDLSA-N 2 0 280.416 -0.167 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC000411028042 420235896 /nfs/dbraw/zinc/23/58/96/420235896.db2.gz PBOFVZZFFVBLNE-ZDUSSCGKSA-N 2 0 298.431 -0.053 20 0 CBADRP C[N@H+](CC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@@H]1CCSC1 ZINC000655295531 420237580 /nfs/dbraw/zinc/23/75/80/420237580.db2.gz DBJGFLAUXRQMGL-FRRDWIJNSA-N 2 0 299.440 -0.299 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000655294373 420238445 /nfs/dbraw/zinc/23/84/45/420238445.db2.gz VUQQZDSSKKEUDB-YVECIDJPSA-N 2 0 267.373 -0.396 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418568861 420242164 /nfs/dbraw/zinc/24/21/64/420242164.db2.gz BPCRKPRQINCVOS-RYUDHWBXSA-N 2 0 272.393 -0.130 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000418947444 420242728 /nfs/dbraw/zinc/24/27/28/420242728.db2.gz PQXGANHVGHXEIL-NXEZZACHSA-N 2 0 258.366 -0.704 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418948306 420242942 /nfs/dbraw/zinc/24/29/42/420242942.db2.gz QFFQSPKDDKOCJG-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000418998552 420243206 /nfs/dbraw/zinc/24/32/06/420243206.db2.gz MQPYVPTUUPEBPG-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000418948752 420243956 /nfs/dbraw/zinc/24/39/56/420243956.db2.gz QQOOMSKRIPYTJY-WDEREUQCSA-N 2 0 272.393 -0.314 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418948308 420244020 /nfs/dbraw/zinc/24/40/20/420244020.db2.gz QFFQSPKDDKOCJG-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000419145723 420244118 /nfs/dbraw/zinc/24/41/18/420244118.db2.gz ZBTXOGNXQUHENA-FRRDWIJNSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419415109 420245502 /nfs/dbraw/zinc/24/55/02/420245502.db2.gz UQTXLHHMLUVXMV-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000419524954 420245857 /nfs/dbraw/zinc/24/58/57/420245857.db2.gz QQYCJGJBNZFBST-NWDGAFQWSA-N 2 0 296.415 -0.027 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000419581935 420246162 /nfs/dbraw/zinc/24/61/62/420246162.db2.gz IUYNZAMZFCNHAP-SNVBAGLBSA-N 2 0 270.377 -0.689 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CC[NH2+]C ZINC000419523642 420246386 /nfs/dbraw/zinc/24/63/86/420246386.db2.gz OVACMJZMCGLNOM-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC[NH2+]C ZINC000419575159 420246498 /nfs/dbraw/zinc/24/64/98/420246498.db2.gz AAZBLIFTNFWAFC-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655411773 420246909 /nfs/dbraw/zinc/24/69/09/420246909.db2.gz WNOFYBXWNCIITM-UKRRQHHQSA-N 2 0 280.416 -0.212 20 0 CBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419938363 420247082 /nfs/dbraw/zinc/24/70/82/420247082.db2.gz PLFCNKQYOSEPOU-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000419982066 420247099 /nfs/dbraw/zinc/24/70/99/420247099.db2.gz SQLQKQYNHIDTAC-OLZOCXBDSA-N 2 0 296.415 -0.219 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@@H](C[NH3+])C1 ZINC000655418513 420247363 /nfs/dbraw/zinc/24/73/63/420247363.db2.gz ACYKPRYTHYRHGW-OBJOEFQTSA-N 2 0 266.389 -0.523 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000655419212 420248028 /nfs/dbraw/zinc/24/80/28/420248028.db2.gz OPMUIDNGFHSMGT-SDDRHHMPSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)CC[NH2+]C1CC1 ZINC000655414788 420248252 /nfs/dbraw/zinc/24/82/52/420248252.db2.gz SNLXZMWFMPPKRU-UHFFFAOYSA-N 2 0 254.378 -0.508 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000420172178 420248657 /nfs/dbraw/zinc/24/86/57/420248657.db2.gz OWZLSZJEKUWRNW-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655451055 420249284 /nfs/dbraw/zinc/24/92/84/420249284.db2.gz AEBAZCBOOZDQJL-YPMHNXCESA-N 2 0 255.362 -0.272 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000420173241 420249379 /nfs/dbraw/zinc/24/93/79/420249379.db2.gz QSXNCUOZAWAPHT-DGCLKSJQSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000420172179 420249949 /nfs/dbraw/zinc/24/99/49/420249949.db2.gz OWZLSZJEKUWRNW-OLZOCXBDSA-N 2 0 298.431 -0.101 20 0 CBADRP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000655460944 420252819 /nfs/dbraw/zinc/25/28/19/420252819.db2.gz FRCHZSAETDZRSY-YCPHGPKFSA-N 2 0 292.427 -0.118 20 0 CBADRP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000655460942 420253641 /nfs/dbraw/zinc/25/36/41/420253641.db2.gz FRCHZSAETDZRSY-OFQRWUPVSA-N 2 0 292.427 -0.118 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000655488455 420255252 /nfs/dbraw/zinc/25/52/52/420255252.db2.gz AFFGNEIQHMZZJL-UTUOFQBUSA-N 2 0 255.362 -0.179 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000423386820 420255749 /nfs/dbraw/zinc/25/57/49/420255749.db2.gz JQUGGGQGOYSQHL-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000423270316 420255773 /nfs/dbraw/zinc/25/57/73/420255773.db2.gz HSIXAKZFWSCGIZ-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CCCO1 ZINC000655479068 420256290 /nfs/dbraw/zinc/25/62/90/420256290.db2.gz IVJSMHOGLGNTBH-YRGRVCCFSA-N 2 0 267.373 -0.048 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000423597432 420256936 /nfs/dbraw/zinc/25/69/36/420256936.db2.gz UCDRWUYNPZSSBN-STQMWFEESA-N 2 0 296.415 -0.252 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000423583710 420257509 /nfs/dbraw/zinc/25/75/09/420257509.db2.gz ZMVKVONCVUGTLC-UHFFFAOYSA-N 2 0 284.404 -0.393 20 0 CBADRP [NH3+]C[C@H](NC(=O)CN1CCCC[C@@H]([NH3+])C1=O)C(F)(F)F ZINC000655518625 420261359 /nfs/dbraw/zinc/26/13/59/420261359.db2.gz IMXGGKSCRVCNDJ-SFYZADRCSA-N 2 0 296.293 -0.668 20 0 CBADRP [NH3+]C[C@@H](NC(=O)C[C@@H]1COCC[NH2+]1)C(F)(F)F ZINC000655514846 420262322 /nfs/dbraw/zinc/26/23/22/420262322.db2.gz DPAAGHBLIQSFCC-RNFRBKRXSA-N 2 0 255.240 -0.629 20 0 CBADRP O=C([C@H]1CCC[N@H+](CCn2cncn2)C1)N1CC[NH2+]CC1 ZINC000430611089 420272174 /nfs/dbraw/zinc/27/21/74/420272174.db2.gz NBJALEKNFULWLZ-ZDUSSCGKSA-N 2 0 292.387 -0.578 20 0 CBADRP O=C(COC1C[NH2+]C1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000430701725 420272613 /nfs/dbraw/zinc/27/26/13/420272613.db2.gz WHHNMMMKYQOPDX-UHFFFAOYSA-N 2 0 273.296 0.194 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655917327 420275293 /nfs/dbraw/zinc/27/52/93/420275293.db2.gz PMEUKCUXQKIKPM-RKDXNWHRSA-N 2 0 297.325 -0.579 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655916742 420276715 /nfs/dbraw/zinc/27/67/15/420276715.db2.gz HMLFQJBUNWXJHH-RKDXNWHRSA-N 2 0 298.309 -0.104 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655970713 420284219 /nfs/dbraw/zinc/28/42/19/420284219.db2.gz XABCYBOPSRSMNE-WHOHXGKFSA-N 2 0 270.377 -0.427 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655964517 420284993 /nfs/dbraw/zinc/28/49/93/420284993.db2.gz WLXNWCGODWTMQM-RWMBFGLXSA-N 2 0 282.388 -0.554 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655965509 420285112 /nfs/dbraw/zinc/28/51/12/420285112.db2.gz FJYJPHAEHHDART-XQHKEYJVSA-N 2 0 282.388 -0.555 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655967163 420285520 /nfs/dbraw/zinc/28/55/20/420285520.db2.gz OAIMSQMMJFOUNK-YVECIDJPSA-N 2 0 282.388 -0.555 20 0 CBADRP CCOC(=O)CCCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000516785205 420362799 /nfs/dbraw/zinc/36/27/99/420362799.db2.gz HDPWYAJKIJYPOU-NWDGAFQWSA-N 2 0 283.372 -0.036 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](Cn2cc(C[C@H]([NH3+])CO)nn2)C1 ZINC000656448991 420309280 /nfs/dbraw/zinc/30/92/80/420309280.db2.gz TTWFBIOJIUWNQI-GXTWGEPZSA-N 2 0 297.403 -0.503 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](Cn2cc([C@@H]([NH3+])CO)nn2)C1 ZINC000656449049 420310517 /nfs/dbraw/zinc/31/05/17/420310517.db2.gz WWKUWSWTYPFVJB-NEPJUHHUSA-N 2 0 283.376 -0.373 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2C[C@@H]3COC[C@@]3(C)C2)C1=O ZINC000656477940 420311101 /nfs/dbraw/zinc/31/11/01/420311101.db2.gz ODRYBYAFCNFPMM-TYNCELHUSA-N 2 0 295.383 -0.356 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000516787070 420364278 /nfs/dbraw/zinc/36/42/78/420364278.db2.gz LDSLLELSIJQIGI-WDEREUQCSA-N 2 0 268.361 -0.983 20 0 CBADRP CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000514735444 420360181 /nfs/dbraw/zinc/36/01/81/420360181.db2.gz DEDVPFKRDWOZGN-CMPLNLGQSA-N 2 0 280.372 -0.840 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000515673313 420361842 /nfs/dbraw/zinc/36/18/42/420361842.db2.gz URRIUYVZXPIMQL-MNOVXSKESA-N 2 0 268.361 -0.983 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656022156 420293596 /nfs/dbraw/zinc/29/35/96/420293596.db2.gz CKZPBWTWRJZTCY-UPJWGTAASA-N 2 0 298.431 -0.068 20 0 CBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000656020107 420293940 /nfs/dbraw/zinc/29/39/40/420293940.db2.gz OECQKCUCOZKJOU-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000656043076 420294490 /nfs/dbraw/zinc/29/44/90/420294490.db2.gz YMRKCZWZQIXZEU-UTUOFQBUSA-N 2 0 282.388 -0.737 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000656028502 420294837 /nfs/dbraw/zinc/29/48/37/420294837.db2.gz LXEKPCQESZATBP-FRRDWIJNSA-N 2 0 294.399 -0.321 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[C@@H](C)[NH2+]1 ZINC000656039516 420295268 /nfs/dbraw/zinc/29/52/68/420295268.db2.gz BUPMQAKCEMKNAS-LPWJVIDDSA-N 2 0 296.415 -0.348 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000656039567 420295863 /nfs/dbraw/zinc/29/58/63/420295863.db2.gz DMBNUDLCMKJWAN-KVVVAFMNSA-N 2 0 294.399 -0.879 20 0 CBADRP CN1CCN(C(=O)C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000656198204 420302049 /nfs/dbraw/zinc/30/20/49/420302049.db2.gz MSAVFULAVHCPSA-NWDGAFQWSA-N 3 0 254.378 -0.380 20 0 CBADRP CN1CCN(C(=O)C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000656198206 420302415 /nfs/dbraw/zinc/30/24/15/420302415.db2.gz MSAVFULAVHCPSA-VXGBXAGGSA-N 3 0 254.378 -0.380 20 0 CBADRP CC(C)NC(=O)CN(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000517234527 420373644 /nfs/dbraw/zinc/37/36/44/420373644.db2.gz HGMYNBDXGUPLTB-OLZOCXBDSA-N 2 0 296.415 -0.204 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000517358451 420375558 /nfs/dbraw/zinc/37/55/58/420375558.db2.gz BROAYLNTLWSWMC-AWEZNQCLSA-N 2 0 280.416 -0.119 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000517400041 420376670 /nfs/dbraw/zinc/37/66/70/420376670.db2.gz JESJGQPJXZOHFA-LBPRGKRZSA-N 2 0 294.399 -0.450 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000517358452 420376729 /nfs/dbraw/zinc/37/67/29/420376729.db2.gz BROAYLNTLWSWMC-CQSZACIVSA-N 2 0 280.416 -0.119 20 0 CBADRP C[C@]1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCC[NH2+]C1 ZINC000517569772 420377271 /nfs/dbraw/zinc/37/72/71/420377271.db2.gz NVZJKLQKKDUUAI-HIFRSBDPSA-N 2 0 280.416 -0.118 20 0 CBADRP C[C@@]([NH3+])(C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000519713213 420385411 /nfs/dbraw/zinc/38/54/11/420385411.db2.gz SPICXRZKJLLAAB-HNNXBMFYSA-N 2 0 290.367 -0.592 20 0 CBADRP CC[C@H](C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)[NH+](C)C ZINC000519765082 420387406 /nfs/dbraw/zinc/38/74/06/420387406.db2.gz DCRLKWXKAHPJBG-OCCSQVGLSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H](C(=O)NC[C@H](NC(=O)[C@H](C)[NH+](C)C)C1CC1)[NH+](C)C ZINC000674246747 544899705 /nfs/dbraw/zinc/89/97/05/544899705.db2.gz QMIRWSZZPMOZEB-GVXVVHGQSA-N 2 0 298.431 -0.102 20 0 CBADRP C[C@@H](C(=O)NCCC[NH+]1CCC(O)CC1)[NH+](C)C ZINC000674288323 544901207 /nfs/dbraw/zinc/90/12/07/544901207.db2.gz BPLODVZJVASHSV-NSHDSACASA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+](C)C ZINC000674287729 544901335 /nfs/dbraw/zinc/90/13/35/544901335.db2.gz ZPUKMBUOEYOUHX-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H](C(=O)NCCN(C(=O)[C@H](C)[NH+](C)C)C1CC1)[NH+](C)C ZINC000674264025 544901412 /nfs/dbraw/zinc/90/14/12/544901412.db2.gz RQXHTBJMJKEZPD-RYUDHWBXSA-N 2 0 298.431 -0.006 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000516864975 420366657 /nfs/dbraw/zinc/36/66/57/420366657.db2.gz KYVHMKCTRTXKOM-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCN([C@H]3CCOC3)CC2)C1 ZINC000676341417 544948213 /nfs/dbraw/zinc/94/82/13/544948213.db2.gz RLCQJHCUWQOQQM-STQMWFEESA-N 2 0 267.373 -0.129 20 0 CBADRP C[C@H](C(=O)N[C@@H](C)[C@H]1CN(C)CCO1)N1CCN(C)CC1 ZINC000676347981 544948785 /nfs/dbraw/zinc/94/87/85/544948785.db2.gz KYUWSESCEHDERJ-BFHYXJOUSA-N 2 0 298.431 -0.542 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000659315782 420411481 /nfs/dbraw/zinc/41/14/81/420411481.db2.gz UTKCGXMNYZAYHF-SDDRHHMPSA-N 2 0 255.362 -0.051 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000659496142 420424354 /nfs/dbraw/zinc/42/43/54/420424354.db2.gz KDQORANOMRITAI-LLVKDONJSA-N 2 0 258.366 -0.384 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)NCCC[N@H+](C)CCOC ZINC000659437789 420418730 /nfs/dbraw/zinc/41/87/30/420418730.db2.gz HVEGHNLDMGLXPN-LLVKDONJSA-N 2 0 260.382 -0.138 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659440754 420420478 /nfs/dbraw/zinc/42/04/78/420420478.db2.gz KWGCRHVKLFJGQQ-SECBINFHSA-N 2 0 294.359 -0.466 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659452615 420421046 /nfs/dbraw/zinc/42/10/46/420421046.db2.gz DHQRVGYMDMOHCT-MBHSVXNSSA-N 2 0 281.404 -0.635 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000659491240 420422911 /nfs/dbraw/zinc/42/29/11/420422911.db2.gz QBAIFLCZJHEMAV-GFCCVEGCSA-N 2 0 285.436 -0.081 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659357586 420415168 /nfs/dbraw/zinc/41/51/68/420415168.db2.gz KIADLZAMMSYDMC-LLVKDONJSA-N 2 0 272.393 -0.680 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659358657 420416046 /nfs/dbraw/zinc/41/60/46/420416046.db2.gz SKCNPHKYDPORET-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659358659 420416137 /nfs/dbraw/zinc/41/61/37/420416137.db2.gz SKCNPHKYDPORET-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@@H]1CCN(C(=O)C[C@H]2COCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000659378675 420416171 /nfs/dbraw/zinc/41/61/71/420416171.db2.gz VTVQCFVCSJYFBY-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000418556351 287628266 /nfs/dbraw/zinc/62/82/66/287628266.db2.gz FIZAVYBYCPSNMU-NQBHXWOUSA-N 2 0 272.393 -0.404 20 0 CBADRP C[C@@H]1CCN(C(=O)COC2(C)C[NH2+]C2)[C@H](C[NH3+])C1 ZINC000659378633 420416928 /nfs/dbraw/zinc/41/69/28/420416928.db2.gz NAUPGWQGIGIGGR-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)NCC2([NH3+])CCCC2)CCO1 ZINC000659574813 420434227 /nfs/dbraw/zinc/43/42/27/420434227.db2.gz FWOHRQQJGWXNKT-SNVBAGLBSA-N 2 0 256.350 -0.373 20 0 CBADRP CN1CCN(C(=O)NCC2([NH3+])CCCC2)[C@H](C[NH3+])C1 ZINC000659575544 420434315 /nfs/dbraw/zinc/43/43/15/420434315.db2.gz PLQIOLYLFLTCKS-LLVKDONJSA-N 3 0 269.393 -0.458 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)CCO1 ZINC000659609483 420437117 /nfs/dbraw/zinc/43/71/17/420437117.db2.gz AMRMPZIYNZKXIN-SQLBVSGCSA-N 2 0 254.334 -0.893 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659514911 420426645 /nfs/dbraw/zinc/42/66/45/420426645.db2.gz AAUYKNDWZKKKFI-SECBINFHSA-N 2 0 282.348 -0.577 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659527915 420429050 /nfs/dbraw/zinc/42/90/50/420429050.db2.gz YAUMLOJDBYHMOP-NSHDSACASA-N 2 0 287.408 -0.757 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NCC2=CC[NH2+]CC2)CC[C@H]1F ZINC000659532268 420429419 /nfs/dbraw/zinc/42/94/19/420429419.db2.gz KDXOWQXRCBBOLJ-GHMZBOCLSA-N 2 0 256.325 -0.013 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659610022 420437432 /nfs/dbraw/zinc/43/74/32/420437432.db2.gz GGUUJELOZTXVNW-UHFFFAOYSA-N 2 0 250.346 -0.129 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659534344 420430526 /nfs/dbraw/zinc/43/05/26/420430526.db2.gz SFEMQCGKBSBXTF-PSASIEDQSA-N 2 0 294.359 -0.562 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000659539315 420431673 /nfs/dbraw/zinc/43/16/73/420431673.db2.gz KHTYJNKOXJATTH-NSHDSACASA-N 2 0 272.393 -0.090 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377530691 230291251 /nfs/dbraw/zinc/29/12/51/230291251.db2.gz QLIBJYAZSGILOL-SDDRHHMPSA-N 2 0 254.378 -0.524 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000659556549 420433609 /nfs/dbraw/zinc/43/36/09/420433609.db2.gz ZAXSPJRGODCPTH-WDEREUQCSA-N 2 0 258.366 -0.353 20 0 CBADRP Nc1nccc([C@@H]2CCC[N@H+](CCN3CC[NH2+]CC3)C2)n1 ZINC000578893094 420467524 /nfs/dbraw/zinc/46/75/24/420467524.db2.gz ZSTGXEXBWDSQGT-CYBMUJFWSA-N 2 0 290.415 0.143 20 0 CBADRP CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000683230082 545063621 /nfs/dbraw/zinc/06/36/21/545063621.db2.gz UDLOJVBYKHGNLJ-RYUDHWBXSA-N 2 0 292.449 -0.109 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000659752011 420468167 /nfs/dbraw/zinc/46/81/67/420468167.db2.gz KIJLWELDSRHSIT-RYUDHWBXSA-N 2 0 284.404 -0.301 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000659753648 420468180 /nfs/dbraw/zinc/46/81/80/420468180.db2.gz QZWVHYBDHVLOSO-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000659752637 420468263 /nfs/dbraw/zinc/46/82/63/420468263.db2.gz KVKFOPUXLQRXRC-MNOVXSKESA-N 2 0 270.377 -0.737 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000659753254 420468519 /nfs/dbraw/zinc/46/85/19/420468519.db2.gz PCYBILFQPOBNIK-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000659754472 420468570 /nfs/dbraw/zinc/46/85/70/420468570.db2.gz UWPGJXVUACJFFB-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000659755222 420469149 /nfs/dbraw/zinc/46/91/49/420469149.db2.gz JLJWJVWYAVGLAZ-RWMBFGLXSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000659756359 420469249 /nfs/dbraw/zinc/46/92/49/420469249.db2.gz QWDBZSJAGTWYKO-AVGNSLFASA-N 2 0 298.431 -0.101 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659623255 420438314 /nfs/dbraw/zinc/43/83/14/420438314.db2.gz XYLOQXPTPRZPDE-GFCCVEGCSA-N 2 0 274.409 -0.027 20 0 CBADRP C[C@@H](C(=O)N1CCN(C(=O)[C@H](C)[NH+](C)C)[C@H](C)C1)[NH+](C)C ZINC000681357283 545047503 /nfs/dbraw/zinc/04/75/03/545047503.db2.gz IKSLHZNJNMDYAB-AGIUHOORSA-N 2 0 298.431 -0.054 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000659619698 420439281 /nfs/dbraw/zinc/43/92/81/420439281.db2.gz RVJCSXRJHUWIMW-LLVKDONJSA-N 2 0 270.377 -0.256 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000659642743 420443384 /nfs/dbraw/zinc/44/33/84/420443384.db2.gz LRCAEPXEQYFVPH-WDEREUQCSA-N 2 0 285.392 -0.909 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000659642741 420443656 /nfs/dbraw/zinc/44/36/56/420443656.db2.gz LRCAEPXEQYFVPH-MNOVXSKESA-N 2 0 285.392 -0.909 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000659674277 420446683 /nfs/dbraw/zinc/44/66/83/420446683.db2.gz RMTQMRGCHJFWAY-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000659684745 420448488 /nfs/dbraw/zinc/44/84/88/420448488.db2.gz KWADVBUYBWYBRT-LBPRGKRZSA-N 2 0 298.431 -0.053 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)C1CC1 ZINC000659685265 420448795 /nfs/dbraw/zinc/44/87/95/420448795.db2.gz PYZXNBDTOZPIHU-GHMZBOCLSA-N 2 0 286.351 -0.906 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659687339 420449227 /nfs/dbraw/zinc/44/92/27/420449227.db2.gz UBFFWLGBUNQDII-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)C1CC1 ZINC000659684224 420449349 /nfs/dbraw/zinc/44/93/49/420449349.db2.gz GMROQNQHJWLFCZ-UHFFFAOYSA-N 2 0 280.372 -0.854 20 0 CBADRP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000659697576 420450752 /nfs/dbraw/zinc/45/07/52/420450752.db2.gz YPNJFCBVHGCHPZ-JQWIXIFHSA-N 2 0 282.388 -0.689 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000659694468 420450928 /nfs/dbraw/zinc/45/09/28/420450928.db2.gz UECPAEDQJAHWKB-DCAQKATOSA-N 2 0 282.388 -0.548 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659699109 420451649 /nfs/dbraw/zinc/45/16/49/420451649.db2.gz LKINTTKASRLYFV-WDEREUQCSA-N 2 0 272.393 -0.443 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000659701767 420451654 /nfs/dbraw/zinc/45/16/54/420451654.db2.gz JJRUSAQFYPBOIY-SDDRHHMPSA-N 2 0 282.388 -0.547 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659705142 420452627 /nfs/dbraw/zinc/45/26/27/420452627.db2.gz VGDCRDCYCUJEOD-GHMZBOCLSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])[N@H+](C)C1CC1 ZINC000659701901 420453036 /nfs/dbraw/zinc/45/30/36/420453036.db2.gz JNNDGUNJMLHPLN-JTQLQIEISA-N 2 0 284.404 -0.219 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659703296 420453204 /nfs/dbraw/zinc/45/32/04/420453204.db2.gz YEAMTFHOYXOERZ-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[N@H+](C)C1CC1 ZINC000659703213 420453397 /nfs/dbraw/zinc/45/33/97/420453397.db2.gz XRZTVSXUBBSINH-NLTNOIMHSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@H](CNC(=O)C(=O)N(C)CCC[NH3+])C[NH+]1CCCC1 ZINC000659708946 420454259 /nfs/dbraw/zinc/45/42/59/420454259.db2.gz AKTDTZFLOZMFPX-GFCCVEGCSA-N 2 0 284.404 -0.358 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH3+])C1 ZINC000659710512 420454903 /nfs/dbraw/zinc/45/49/03/420454903.db2.gz ROZYIDPMKDTNNG-SNVBAGLBSA-N 2 0 256.350 -0.948 20 0 CBADRP [NH3+]CCNC(=O)C(=O)NCc1cccnc1N1CCCC1 ZINC000659710232 420455041 /nfs/dbraw/zinc/45/50/41/420455041.db2.gz QZIBIJXPNPBLNP-UHFFFAOYSA-N 2 0 291.355 -0.627 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000659710788 420455343 /nfs/dbraw/zinc/45/53/43/420455343.db2.gz UXJAGWQLOAGJTJ-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659711762 420455445 /nfs/dbraw/zinc/45/54/45/420455445.db2.gz DAXBIQILTRCVKT-UHFFFAOYSA-N 2 0 296.415 -0.440 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000659711769 420455453 /nfs/dbraw/zinc/45/54/53/420455453.db2.gz ASJLCKVFPKCBEU-NEPJUHHUSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000659710787 420455484 /nfs/dbraw/zinc/45/54/84/420455484.db2.gz UXJAGWQLOAGJTJ-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](CCC)C1 ZINC000659712118 420455586 /nfs/dbraw/zinc/45/55/86/420455586.db2.gz IAVZUCZCYZPFAP-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000659712815 420455626 /nfs/dbraw/zinc/45/56/26/420455626.db2.gz MFDQWWMGQUTPPL-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[NH2+]CC)C1 ZINC000659714800 420457159 /nfs/dbraw/zinc/45/71/59/420457159.db2.gz WBCYKJVCSNKVMC-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659715537 420457330 /nfs/dbraw/zinc/45/73/30/420457330.db2.gz PTMXBUJDMUQOJJ-ZJUUUORDSA-N 2 0 270.377 -0.561 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000659718357 420457729 /nfs/dbraw/zinc/45/77/29/420457729.db2.gz PRVREBXYMASPTD-NEPJUHHUSA-N 2 0 282.388 -0.560 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000659716136 420457759 /nfs/dbraw/zinc/45/77/59/420457759.db2.gz WIEVZNSGQZQBLC-RYUDHWBXSA-N 2 0 296.415 -0.171 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000659722123 420458808 /nfs/dbraw/zinc/45/88/08/420458808.db2.gz MQSKRJJUHFAKIM-AVGNSLFASA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000659720272 420459323 /nfs/dbraw/zinc/45/93/23/420459323.db2.gz RXRZQZUPIIPKMH-VXGBXAGGSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659719506 420459590 /nfs/dbraw/zinc/45/95/90/420459590.db2.gz YMOCJJIVWCTECW-WDEREUQCSA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000659727111 420459781 /nfs/dbraw/zinc/45/97/81/420459781.db2.gz HTTOJEQRBSWDMW-UHFFFAOYSA-N 2 0 286.420 -0.112 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000659726596 420459794 /nfs/dbraw/zinc/45/97/94/420459794.db2.gz FESHZBKACXNQHL-LBPRGKRZSA-N 2 0 296.415 -0.168 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCC[N@H+](C)CC(C)C ZINC000659726230 420460531 /nfs/dbraw/zinc/46/05/31/420460531.db2.gz BJEWHXKHJWXZFK-GFCCVEGCSA-N 2 0 286.420 -0.195 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000659731468 420460757 /nfs/dbraw/zinc/46/07/57/420460757.db2.gz HICQLBWHNLMLKO-QWHCGFSZSA-N 2 0 294.399 -0.449 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659731424 420460769 /nfs/dbraw/zinc/46/07/69/420460769.db2.gz CYHBSAKMVMQFSM-NSHDSACASA-N 2 0 268.361 -0.981 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659735306 420462183 /nfs/dbraw/zinc/46/21/83/420462183.db2.gz RGEFEMNVBQKVKI-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659735269 420462200 /nfs/dbraw/zinc/46/22/00/420462200.db2.gz QVXAQYSLAQAMDA-LBPRGKRZSA-N 2 0 296.415 -0.025 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000659738867 420463080 /nfs/dbraw/zinc/46/30/80/420463080.db2.gz JKAJTEPEGWLAKB-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000659738540 420463226 /nfs/dbraw/zinc/46/32/26/420463226.db2.gz FWTAQEUIFCPSFP-GFCCVEGCSA-N 2 0 282.388 -0.463 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)C1 ZINC000659739722 420464902 /nfs/dbraw/zinc/46/49/02/420464902.db2.gz YLNMZRMSJVWCAE-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP CCN1CCN(C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659747003 420465904 /nfs/dbraw/zinc/46/59/04/420465904.db2.gz QYVNPGDVEGHANB-GFCCVEGCSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659749378 420466354 /nfs/dbraw/zinc/46/63/54/420466354.db2.gz HCEJGDNZLJTHHD-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000659750297 420467008 /nfs/dbraw/zinc/46/70/08/420467008.db2.gz BJTXVGBPNNJOND-NEPJUHHUSA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)[N@H+](C)C[C@@H](O)CN1CCN2CCOC[C@@H]2C1 ZINC000660274437 420487902 /nfs/dbraw/zinc/48/79/02/420487902.db2.gz RUNNVJHEEJVBJC-UONOGXRCSA-N 2 0 271.405 -0.296 20 0 CBADRP CC(C)[N@H+](C)C[C@H](O)CN1CCN2CCOC[C@H]2C1 ZINC000660274436 420488019 /nfs/dbraw/zinc/48/80/19/420488019.db2.gz RUNNVJHEEJVBJC-KGLIPLIRSA-N 2 0 271.405 -0.296 20 0 CBADRP CC(C)[N@H+](C)C[C@@H](O)CN[C@H](CO)c1cnn(C)c1 ZINC000660271660 420488281 /nfs/dbraw/zinc/48/82/81/420488281.db2.gz ZWBMTZJDPGDESN-QWHCGFSZSA-N 2 0 270.377 -0.256 20 0 CBADRP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](CCO)[C@H](C)C1 ZINC000660332989 420489356 /nfs/dbraw/zinc/48/93/56/420489356.db2.gz ZCEBSFQWCSGOKD-ZIAGYGMSSA-N 2 0 273.421 -0.314 20 0 CBADRP C[C@@H](NC(=O)C1([NH3+])CCC1)C(=O)NCC[NH+]1CCCCC1 ZINC000517738856 260000839 /nfs/dbraw/zinc/00/08/39/260000839.db2.gz FWUQODHHWMINTK-GFCCVEGCSA-N 2 0 296.415 -0.025 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC[C@@H]3CCOC3)CCN2C1=O ZINC000521646510 260198569 /nfs/dbraw/zinc/19/85/69/260198569.db2.gz VYAKQBQTBKGTLG-IJLUTSLNSA-N 2 0 253.346 -0.343 20 0 CBADRP CO[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C1CC1 ZINC000518365680 260383212 /nfs/dbraw/zinc/38/32/12/260383212.db2.gz LIUMLVPJUIHEMU-ZIAGYGMSSA-N 2 0 271.405 -0.391 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000518735680 260518540 /nfs/dbraw/zinc/51/85/40/260518540.db2.gz UVOPXGYZHYJWPB-VXGBXAGGSA-N 2 0 254.378 -0.462 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000518768571 261480433 /nfs/dbraw/zinc/48/04/33/261480433.db2.gz RGGDGPGOMZIUJS-GRYCIOLGSA-N 2 0 282.388 -0.499 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H]2CC[N@H+](C)C2)CC[NH2+]C1 ZINC000310811035 262175358 /nfs/dbraw/zinc/17/53/58/262175358.db2.gz GIMSDVMXJGNEDB-AAEUAGOBSA-N 2 0 255.362 -0.320 20 0 CBADRP CC[C@@](C)(C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)OC ZINC000521031011 262199530 /nfs/dbraw/zinc/19/95/30/262199530.db2.gz MKWDYOREARSURX-KBPBESRZSA-N 2 0 273.421 -0.001 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000521434311 262336603 /nfs/dbraw/zinc/33/66/03/262336603.db2.gz OIOSPGFBKSYDGP-NEPJUHHUSA-N 2 0 254.378 -0.604 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000521434312 262336606 /nfs/dbraw/zinc/33/66/06/262336606.db2.gz OIOSPGFBKSYDGP-NWDGAFQWSA-N 2 0 254.378 -0.604 20 0 CBADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000094459836 265242966 /nfs/dbraw/zinc/24/29/66/265242966.db2.gz WJLMKNXWCWQJID-TUAOUCFPSA-N 2 0 253.346 -0.330 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000519531908 265457453 /nfs/dbraw/zinc/45/74/53/265457453.db2.gz JYBAZBKCWZMVNT-WCQYABFASA-N 2 0 296.415 -0.299 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]C)CC1 ZINC000236870245 269578558 /nfs/dbraw/zinc/57/85/58/269578558.db2.gz PFGVWLKXAGLURY-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2CC[C@@H]([NH3+])C2)CC1 ZINC000430609300 269590534 /nfs/dbraw/zinc/59/05/34/269590534.db2.gz HGLZKZXBMKOPJV-LLVKDONJSA-N 2 0 254.378 -0.380 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529336576 269631448 /nfs/dbraw/zinc/63/14/48/269631448.db2.gz CXGUXFYQHDZNQZ-QJPTWQEYSA-N 2 0 270.377 -0.209 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529336233 269631453 /nfs/dbraw/zinc/63/14/53/269631453.db2.gz GMMYRQYPMGGNHM-GMTAPVOTSA-N 2 0 256.350 -0.728 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000354695624 273804284 /nfs/dbraw/zinc/80/42/84/273804284.db2.gz RHGSXXBHAZCOKE-OLZOCXBDSA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419111294 276049907 /nfs/dbraw/zinc/04/99/07/276049907.db2.gz UFFJGWHWHWQXTC-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)C2)CC1 ZINC000446405984 276197843 /nfs/dbraw/zinc/19/78/43/276197843.db2.gz OEMWBADPVZNWRW-BFHYXJOUSA-N 2 0 298.406 -0.075 20 0 CBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000353590643 276200005 /nfs/dbraw/zinc/20/00/05/276200005.db2.gz ANZLTZRHPMUBCR-KBPBESRZSA-N 2 0 280.416 -0.023 20 0 CBADRP CC[NH+](CC)CCCNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000416825031 276325305 /nfs/dbraw/zinc/32/53/05/276325305.db2.gz YPLPWPKJIANHHD-CYBMUJFWSA-N 2 0 285.436 -0.079 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000332355627 276366548 /nfs/dbraw/zinc/36/65/48/276366548.db2.gz SCCZVPMNYLROHJ-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC2(C[NH3+])CCCC2)CC1=O ZINC000237160223 276761893 /nfs/dbraw/zinc/76/18/93/276761893.db2.gz UNBXIFVFSDTFGL-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419842445 276931972 /nfs/dbraw/zinc/93/19/72/276931972.db2.gz LPLUGGPFDDHVDY-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000419585265 277032004 /nfs/dbraw/zinc/03/20/04/277032004.db2.gz LWBCQIWODZHVKK-WCQYABFASA-N 2 0 296.415 -0.204 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000449702938 277116181 /nfs/dbraw/zinc/11/61/81/277116181.db2.gz SRWSVOJNQABCFI-CABCVRRESA-N 2 0 288.395 -0.279 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473140 277237007 /nfs/dbraw/zinc/23/70/07/277237007.db2.gz OAWKNFXXHJIQST-UKKRHICBSA-N 2 0 268.361 -0.110 20 0 CBADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377566837 277248573 /nfs/dbraw/zinc/24/85/73/277248573.db2.gz YEOVYIWODULRMC-NWDGAFQWSA-N 2 0 268.405 -0.134 20 0 CBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000515659025 277286706 /nfs/dbraw/zinc/28/67/06/277286706.db2.gz ANWUAZPBJGUNHI-AAEUAGOBSA-N 2 0 257.378 -0.066 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000419432157 277295615 /nfs/dbraw/zinc/29/56/15/277295615.db2.gz XVSRSKATOVQIOP-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000430890895 277305853 /nfs/dbraw/zinc/30/58/53/277305853.db2.gz SYEUAAITJONGDR-VIFPVBQESA-N 2 0 256.350 -0.820 20 0 CBADRP COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262052758 277373282 /nfs/dbraw/zinc/37/32/82/277373282.db2.gz ZVTDWEILXLJPAI-RYUDHWBXSA-N 2 0 256.346 -0.016 20 0 CBADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037001340 277479090 /nfs/dbraw/zinc/47/90/90/277479090.db2.gz VHMRMAVFDGKQLB-WOPDTQHZSA-N 2 0 257.378 -0.198 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)CC[NH2+]1 ZINC000370093029 278024894 /nfs/dbraw/zinc/02/48/94/278024894.db2.gz HOLUFFMEUJQSGB-RKDXNWHRSA-N 2 0 263.345 -0.074 20 0 CBADRP C[C@H](CC(N)=O)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442888616 278165097 /nfs/dbraw/zinc/16/50/97/278165097.db2.gz GTJNMHQFJQRIBS-LLVKDONJSA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@H](CC(N)=O)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000346061042 278165138 /nfs/dbraw/zinc/16/51/38/278165138.db2.gz FHVFQVZAONJTNA-MNOVXSKESA-N 2 0 270.377 -0.573 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000419730511 278181770 /nfs/dbraw/zinc/18/17/70/278181770.db2.gz KCJQQHUDHJOHSE-DGCLKSJQSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000351518591 278197809 /nfs/dbraw/zinc/19/78/09/278197809.db2.gz CRBGHLVSYSMVDF-ZYHUDNBSSA-N 2 0 282.388 -0.547 20 0 CBADRP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000262536650 278869160 /nfs/dbraw/zinc/86/91/60/278869160.db2.gz QKSJTBGDZMYRSW-STQMWFEESA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000487168357 288096506 /nfs/dbraw/zinc/09/65/06/288096506.db2.gz ZWBMIZHGCQGYDR-WZRBSPASSA-N 2 0 255.362 -0.633 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000420137249 279034798 /nfs/dbraw/zinc/03/47/98/279034798.db2.gz DLDVRLDTZNKTGB-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419871146 279096835 /nfs/dbraw/zinc/09/68/35/279096835.db2.gz XHGQCXMYQDFVHD-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCCC[NH2+]C ZINC000418920800 279114582 /nfs/dbraw/zinc/11/45/82/279114582.db2.gz BZMCPBMHLUNCIJ-LLVKDONJSA-N 2 0 272.393 -0.441 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418952172 279127017 /nfs/dbraw/zinc/12/70/17/279127017.db2.gz VGZPDLHLXYDHPT-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351557709 279127851 /nfs/dbraw/zinc/12/78/51/279127851.db2.gz IIHCHDWDLGHDKQ-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000423060937 279148135 /nfs/dbraw/zinc/14/81/35/279148135.db2.gz PWPTWFKITMWHBO-CHWSQXEVSA-N 2 0 296.415 -0.121 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC000062972719 279151172 /nfs/dbraw/zinc/15/11/72/279151172.db2.gz IZUMVXVNGRNMJE-WOPDTQHZSA-N 2 0 255.362 -0.348 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000423611170 279165969 /nfs/dbraw/zinc/16/59/69/279165969.db2.gz RWZVOMNMOGYCNR-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000420075779 279166441 /nfs/dbraw/zinc/16/64/41/279166441.db2.gz KTWXLUFJQQQOFF-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000376072255 279176827 /nfs/dbraw/zinc/17/68/27/279176827.db2.gz ZOBUBXORAIMQDY-STQMWFEESA-N 2 0 268.405 -0.134 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)C1CC1 ZINC000419522646 279190202 /nfs/dbraw/zinc/19/02/02/279190202.db2.gz MYQUMERBLSMCBD-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000420107255 279191274 /nfs/dbraw/zinc/19/12/74/279191274.db2.gz ASAFGJRSTJJNBC-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[N@H+](CCNC(=O)NC[C@]1(O)CC[NH+](C)C1)C1CC1 ZINC000358727730 279199782 /nfs/dbraw/zinc/19/97/82/279199782.db2.gz WNZBCLJOFVNXRQ-CQSZACIVSA-N 2 0 284.404 -0.164 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419698020 279294560 /nfs/dbraw/zinc/29/45/60/279294560.db2.gz RRLPHQXQEUBVCM-GHMZBOCLSA-N 2 0 282.388 -0.417 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262075543 279351857 /nfs/dbraw/zinc/35/18/57/279351857.db2.gz PUSNVNIOZVZZNK-ZDUSSCGKSA-N 2 0 268.405 -0.167 20 0 CBADRP CCN1CC[NH+](CCCCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424157421 279356292 /nfs/dbraw/zinc/35/62/92/279356292.db2.gz QYMMIIRADHWRFJ-OLZOCXBDSA-N 2 0 268.405 -0.133 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)CC[NH2+]C)CC1 ZINC000357226279 279365881 /nfs/dbraw/zinc/36/58/81/279365881.db2.gz OFNUTNJFHJEEOF-LBPRGKRZSA-N 2 0 256.394 -0.262 20 0 CBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C3C[NH2+]C3)C2)CC1 ZINC000263333101 279366954 /nfs/dbraw/zinc/36/69/54/279366954.db2.gz VMCUQDZKAXUCBZ-CYBMUJFWSA-N 2 0 266.389 -0.556 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000349009562 279369947 /nfs/dbraw/zinc/36/99/47/279369947.db2.gz XJHQECBKMODNFP-CYBMUJFWSA-N 2 0 298.431 -0.493 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351561544 288126945 /nfs/dbraw/zinc/12/69/45/288126945.db2.gz YYMLBDXWDKHBEI-KGYLQXTDSA-N 2 0 294.399 -0.547 20 0 CBADRP [NH3+]CCCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000419836517 279626489 /nfs/dbraw/zinc/62/64/89/279626489.db2.gz XXHRFDPRDAIZAG-LBPRGKRZSA-N 2 0 282.388 -0.462 20 0 CBADRP CCS(=O)(=O)NCC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430925538 280023067 /nfs/dbraw/zinc/02/30/67/280023067.db2.gz DGDCVQZGROGTPA-JTQLQIEISA-N 2 0 263.407 -0.015 20 0 CBADRP CC[C@@H](C(=O)NCC1(O)CC[NH+](C)CC1)[NH+](C)C ZINC000338966535 280075120 /nfs/dbraw/zinc/07/51/20/280075120.db2.gz NHRSRPVEUWRCSV-NSHDSACASA-N 2 0 257.378 -0.101 20 0 CBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000442804366 280123915 /nfs/dbraw/zinc/12/39/15/280123915.db2.gz ZCELLOYTPSILOG-WOPDTQHZSA-N 2 0 284.404 -0.184 20 0 CBADRP CC(C)[C@H](CNC(=O)[C@@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000040770534 280249211 /nfs/dbraw/zinc/24/92/11/280249211.db2.gz GKNDJSKGRRQDLR-NEPJUHHUSA-N 2 0 256.394 -0.278 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000262210380 280273865 /nfs/dbraw/zinc/27/38/65/280273865.db2.gz SYWDEELWKYJZMW-GVXVVHGQSA-N 2 0 284.404 -0.328 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000262041244 280274109 /nfs/dbraw/zinc/27/41/09/280274109.db2.gz HQDHMZXNPGVPQU-GVXVVHGQSA-N 2 0 284.404 -0.280 20 0 CBADRP O=C1NCC[C@@H]1[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000178191008 280290451 /nfs/dbraw/zinc/29/04/51/280290451.db2.gz CKGRASZAZKTRGG-ZDUSSCGKSA-N 2 0 267.373 -0.081 20 0 CBADRP CC[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CC[N@@H+]1CCOC ZINC000430720891 280351786 /nfs/dbraw/zinc/35/17/86/280351786.db2.gz NSHPMLNDXLWDTC-KGLIPLIRSA-N 2 0 299.415 -0.066 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H](C[NH3+])OC)CC[N@@H+]1C[C@@H](C)O ZINC000353434687 280365703 /nfs/dbraw/zinc/36/57/03/280365703.db2.gz VQCPHLIZEHEHNH-IJLUTSLNSA-N 2 0 273.377 -0.736 20 0 CBADRP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CNC(=O)C[NH3+] ZINC000094447066 288289615 /nfs/dbraw/zinc/28/96/15/288289615.db2.gz MXSGKILQFYSWEZ-GHMZBOCLSA-N 2 0 268.361 -0.854 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000332187914 288300760 /nfs/dbraw/zinc/30/07/60/288300760.db2.gz TXXZLXDVFMRLKY-GRYCIOLGSA-N 2 0 280.372 -0.840 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000331958994 288315574 /nfs/dbraw/zinc/31/55/74/288315574.db2.gz SAMCMVJDWHSBIW-OLZOCXBDSA-N 2 0 292.383 -0.721 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424165545 288324920 /nfs/dbraw/zinc/32/49/20/288324920.db2.gz YRNFUTJWUPBQFV-GRYCIOLGSA-N 2 0 292.387 -0.070 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000365334677 288325165 /nfs/dbraw/zinc/32/51/65/288325165.db2.gz RQEHBQOXBRMMRV-PSASIEDQSA-N 2 0 263.345 -0.217 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000373071432 289016750 /nfs/dbraw/zinc/01/67/50/289016750.db2.gz SGKMWRZSSQYVSL-DTWKUNHWSA-N 2 0 263.345 -0.122 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CC[NH2+]1 ZINC000444168770 289020398 /nfs/dbraw/zinc/02/03/98/289020398.db2.gz JBIMCQATFQDNKX-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419819714 289042588 /nfs/dbraw/zinc/04/25/88/289042588.db2.gz NKIJXFPPEYWKKY-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP C[NH+](C)C1(CNC(=O)CNC(=O)C[NH3+])CCCC1 ZINC000110374437 289045232 /nfs/dbraw/zinc/04/52/32/289045232.db2.gz NBKTXMYUQGSSAM-UHFFFAOYSA-N 2 0 256.350 -0.948 20 0 CBADRP CN(C(=O)NCC1([NH+](C)C)CCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333547106 289046540 /nfs/dbraw/zinc/04/65/40/289046540.db2.gz JWNCKZORAFGIKU-QWRGUYRKSA-N 2 0 270.377 -0.555 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CCC[N@@H+]1C ZINC000419541705 289048876 /nfs/dbraw/zinc/04/88/76/289048876.db2.gz DGBOCSHDVORLBW-IJLUTSLNSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CCC[N@@H+]1C ZINC000419558485 289049533 /nfs/dbraw/zinc/04/95/33/289049533.db2.gz NYIRUFVBHFUSLC-YUSALJHKSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC[N@@H+]1C ZINC000419556630 289049540 /nfs/dbraw/zinc/04/95/40/289049540.db2.gz KWTYMLIQUNYINT-FVCCEPFGSA-N 2 0 294.399 -0.737 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CCC[N@@H+]1C ZINC000419543787 289049668 /nfs/dbraw/zinc/04/96/68/289049668.db2.gz GUGZPOGRGQXDEE-FDYHWXHSSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+](C)C1(CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)CCC1 ZINC000446616098 289051326 /nfs/dbraw/zinc/05/13/26/289051326.db2.gz VGILQYOHSIADSR-CQSZACIVSA-N 2 0 284.404 -0.164 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420161292 289127069 /nfs/dbraw/zinc/12/70/69/289127069.db2.gz CARBRCGKMUCGHC-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000423739491 289141935 /nfs/dbraw/zinc/14/19/35/289141935.db2.gz FXWBOGGKZPGPKD-KGLIPLIRSA-N 2 0 299.415 -0.066 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)CCO1 ZINC000332421772 289199410 /nfs/dbraw/zinc/19/94/10/289199410.db2.gz CMTLWNZSJOARGQ-NEPJUHHUSA-N 2 0 255.362 -0.097 20 0 CBADRP C[NH+](C)C[C@H]1CN(CC[N@@H+]2CCCOCC2)CCO1 ZINC000361291304 289218180 /nfs/dbraw/zinc/21/81/80/289218180.db2.gz WZXGDIGUHMRKAK-AWEZNQCLSA-N 2 0 271.405 -0.029 20 0 CBADRP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420302069 289242286 /nfs/dbraw/zinc/24/22/86/289242286.db2.gz WEZVVOZKVGIUFR-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP CN(C)S(=O)(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000230992423 289248005 /nfs/dbraw/zinc/24/80/05/289248005.db2.gz MQUAVPIEBIQMOF-GHMZBOCLSA-N 2 0 263.407 -0.015 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000331910035 289290608 /nfs/dbraw/zinc/29/06/08/289290608.db2.gz SPLWBHWWRWYPHX-LLVKDONJSA-N 2 0 282.388 -0.463 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)COC2C[NH2+]C2)C1 ZINC000430775746 289298228 /nfs/dbraw/zinc/29/82/28/289298228.db2.gz MDKDHWAWHQWTKC-GHMZBOCLSA-N 2 0 255.362 -0.036 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188215783 289303117 /nfs/dbraw/zinc/30/31/17/289303117.db2.gz XXQHLJJAVDTPTG-IJLUTSLNSA-N 2 0 255.362 -0.036 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000165607836 289353425 /nfs/dbraw/zinc/35/34/25/289353425.db2.gz MKSDRAKMPOJQMT-VXGBXAGGSA-N 2 0 255.362 -0.179 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000423235469 289367816 /nfs/dbraw/zinc/36/78/16/289367816.db2.gz NBWJNCJOOYGQMM-RYUDHWBXSA-N 2 0 282.388 -0.511 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000420066185 289368504 /nfs/dbraw/zinc/36/85/04/289368504.db2.gz QSKCUMCUJXPVHR-RYUDHWBXSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000419966381 289530693 /nfs/dbraw/zinc/53/06/93/289530693.db2.gz ZQZXQYWRXDMJHP-GHMZBOCLSA-N 2 0 270.377 -0.750 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C[NH+]1CCCCC1 ZINC000216500272 289677949 /nfs/dbraw/zinc/67/79/49/289677949.db2.gz GXLYNRXQEJTCHI-UPJWGTAASA-N 2 0 269.389 -0.053 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449697482 290060684 /nfs/dbraw/zinc/06/06/84/290060684.db2.gz MGCBCLBOEFDHOC-UPJWGTAASA-N 2 0 268.405 -0.086 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC2([NH3+])CCC2)[C@@H](C)C1 ZINC000332457752 290094746 /nfs/dbraw/zinc/09/47/46/290094746.db2.gz ICSHVMVOCFFYDZ-RYUDHWBXSA-N 2 0 284.404 -0.036 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C[NH3+])C2CC2)[C@H](C)C1 ZINC000418409092 290098782 /nfs/dbraw/zinc/09/87/82/290098782.db2.gz VGXAQJGRGWAXGI-MDZLAQPJSA-N 2 0 284.404 -0.180 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)C[NH+](C)C2CC2)[C@@H](C)C1 ZINC000351584829 290113675 /nfs/dbraw/zinc/11/36/75/290113675.db2.gz XEWRCDDSMWMKQE-YDHLFZDLSA-N 2 0 285.432 -0.172 20 0 CBADRP COC[C@]1(C(=O)N2CC[NH2+]C(C)(C)C2)CC[NH2+]C1 ZINC000417841725 293266962 /nfs/dbraw/zinc/26/69/62/293266962.db2.gz TWKVNBAQYCLSFE-ZDUSSCGKSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000379818102 335091196 /nfs/dbraw/zinc/09/11/96/335091196.db2.gz ROWIIPNIKMXBNF-QMMMGPOBSA-N 2 0 253.293 -0.337 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000353441989 294408163 /nfs/dbraw/zinc/40/81/63/294408163.db2.gz GBTNOXLAWNUNQE-WCQYABFASA-N 2 0 287.404 -0.489 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000063180303 295234709 /nfs/dbraw/zinc/23/47/09/295234709.db2.gz OOIADNXEABPUSA-ZDUSSCGKSA-N 2 0 284.404 -0.895 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000424153888 295324734 /nfs/dbraw/zinc/32/47/34/295324734.db2.gz LVNVBJHSLNZIED-RVMXOQNASA-N 2 0 294.399 -0.560 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000332196348 295339374 /nfs/dbraw/zinc/33/93/74/295339374.db2.gz QNMGWJLAUOPVJH-STQMWFEESA-N 2 0 294.399 -0.367 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000332187917 297092481 /nfs/dbraw/zinc/09/24/81/297092481.db2.gz TXXZLXDVFMRLKY-IJLUTSLNSA-N 2 0 280.372 -0.840 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)[C@H]1C ZINC000418759565 297547295 /nfs/dbraw/zinc/54/72/95/297547295.db2.gz GLUGRRBEUHZSQW-DCAQKATOSA-N 2 0 256.350 -0.633 20 0 CBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261557952 298132990 /nfs/dbraw/zinc/13/29/90/298132990.db2.gz CXJBDBXQQGKYEB-SECBINFHSA-N 2 0 254.334 -0.355 20 0 CBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252839968 298134949 /nfs/dbraw/zinc/13/49/49/298134949.db2.gz BGXRWMKJECKAMI-KATARQTJSA-N 2 0 254.334 -0.371 20 0 CBADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)CC(N)=O ZINC000349386425 298429404 /nfs/dbraw/zinc/42/94/04/298429404.db2.gz YZCDEAPHIMHQMC-NEPJUHHUSA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000423715849 298530271 /nfs/dbraw/zinc/53/02/71/298530271.db2.gz HUQGSMAHEUFHOW-GHMZBOCLSA-N 2 0 270.377 -0.655 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419429045 298557028 /nfs/dbraw/zinc/55/70/28/298557028.db2.gz UKVUQCZSIVXCKA-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419423371 298557121 /nfs/dbraw/zinc/55/71/21/298557121.db2.gz NGVUXQKNABBEHZ-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCC2)C[C@@H]1[NH+](C)C ZINC000331520275 300101936 /nfs/dbraw/zinc/10/19/36/300101936.db2.gz CMZGZYFGEWKSFR-QWRGUYRKSA-N 2 0 282.388 -0.608 20 0 CBADRP NC(=O)NC(=O)CC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358497545 303267836 /nfs/dbraw/zinc/26/78/36/303267836.db2.gz BQQAOAOKTOSJOH-UHFFFAOYSA-N 2 0 254.334 -0.353 20 0 CBADRP [NH3+]CCNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000419841926 303381579 /nfs/dbraw/zinc/38/15/79/303381579.db2.gz VCGUIAHSHNLMPF-LBPRGKRZSA-N 2 0 282.388 -0.462 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000349025590 303397016 /nfs/dbraw/zinc/39/70/16/303397016.db2.gz ICVFLKWFBYZILV-JQWIXIFHSA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000418666937 303926185 /nfs/dbraw/zinc/92/61/85/303926185.db2.gz FRPCMZNLKPDCSX-WUHRBBMRSA-N 2 0 262.357 -0.140 20 0 CBADRP O=C(N[C@H]1CCCC[NH2+]C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333491109 303949905 /nfs/dbraw/zinc/94/99/05/303949905.db2.gz DIBBPIKKOIGGRK-KBPBESRZSA-N 2 0 295.431 -0.182 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000570795554 327619738 /nfs/dbraw/zinc/61/97/38/327619738.db2.gz XQRJZJJKKANTGM-MQYQWHSLSA-N 2 0 253.390 -0.017 20 0 CBADRP CC(C)[C@@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000580093267 327696424 /nfs/dbraw/zinc/69/64/24/327696424.db2.gz APJVBIKXTRQGIG-SRVKXCTJSA-N 2 0 257.378 -0.294 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C[C@@H]3COCC[NH2+]3)C[C@H]12 ZINC000562976780 327731300 /nfs/dbraw/zinc/73/13/00/327731300.db2.gz QUJMUEYPEDGRJA-WISYIIOYSA-N 2 0 253.346 -0.439 20 0 CBADRP CC1CC[NH+](C[C@H](O)CNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000582120062 327879834 /nfs/dbraw/zinc/87/98/34/327879834.db2.gz CFLYKEFHPICSIV-CYBMUJFWSA-N 2 0 299.415 -0.426 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000563101449 327924269 /nfs/dbraw/zinc/92/42/69/327924269.db2.gz IDWJKRMEZWRBBX-GHMZBOCLSA-N 2 0 270.377 -0.784 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000563102345 327924626 /nfs/dbraw/zinc/92/46/26/327924626.db2.gz UWHZUFYYCWPWJF-MNOVXSKESA-N 2 0 280.376 -0.257 20 0 CBADRP C[C@H]1C[C@@H](C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)CC[NH2+]1 ZINC000563102210 327924670 /nfs/dbraw/zinc/92/46/70/327924670.db2.gz NVQBNUNKAWVRJS-UWVGGRQHSA-N 2 0 293.375 -0.459 20 0 CBADRP C[C@@H]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000563116865 327925924 /nfs/dbraw/zinc/92/59/24/327925924.db2.gz OCGSPMKKASSAMZ-IJLUTSLNSA-N 2 0 255.362 -0.192 20 0 CBADRP C[C@]1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CCC[NH2+]C1 ZINC000563162876 327941561 /nfs/dbraw/zinc/94/15/61/327941561.db2.gz OZEJOFNNZBNCRE-AAEUAGOBSA-N 2 0 255.362 -0.129 20 0 CBADRP Cc1nccn1CCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563444003 328067135 /nfs/dbraw/zinc/06/71/35/328067135.db2.gz ZYLIKEGNSQOBAZ-QWHCGFSZSA-N 2 0 277.372 -0.175 20 0 CBADRP CC[NH+](CC)CCNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563529182 328071928 /nfs/dbraw/zinc/07/19/28/328071928.db2.gz JYTMAOWNQODYJQ-UHFFFAOYSA-N 2 0 285.392 -0.941 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)O1 ZINC000563534983 328072275 /nfs/dbraw/zinc/07/22/75/328072275.db2.gz VVBFUDSKHAWEFA-OSUNSFLBSA-N 2 0 253.346 -0.312 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563569923 328074219 /nfs/dbraw/zinc/07/42/19/328074219.db2.gz LVVACQAHPTXGPA-UHFFFAOYSA-N 2 0 299.419 -0.551 20 0 CBADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563582949 328074799 /nfs/dbraw/zinc/07/47/99/328074799.db2.gz SBYSSMFYESNWIC-SMDDNHRTSA-N 2 0 282.388 -0.558 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000563596640 328076241 /nfs/dbraw/zinc/07/62/41/328076241.db2.gz UKQUASDSTZUQON-ZIAGYGMSSA-N 2 0 297.447 -0.079 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000563618881 328077430 /nfs/dbraw/zinc/07/74/30/328077430.db2.gz QMRYDYIQFDLYIT-NSHDSACASA-N 2 0 282.388 -0.689 20 0 CBADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)NC1C[NH2+]C1 ZINC000563628528 328078593 /nfs/dbraw/zinc/07/85/93/328078593.db2.gz UADSEJYQDLWNSQ-GFCCVEGCSA-N 2 0 280.372 -0.793 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000571102799 328086633 /nfs/dbraw/zinc/08/66/33/328086633.db2.gz VACYEDVFZSFFCR-UHFFFAOYSA-N 2 0 297.403 -0.511 20 0 CBADRP [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000571164673 328089872 /nfs/dbraw/zinc/08/98/72/328089872.db2.gz VDJQRNYSRZRGHN-DZGCQCFKSA-N 2 0 297.399 -0.280 20 0 CBADRP COC[C@@]1(CNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)CCC[NH2+]1 ZINC000571277148 328096710 /nfs/dbraw/zinc/09/67/10/328096710.db2.gz NBEMHRAMSJSLRB-LOWVWBTDSA-N 2 0 271.361 -0.752 20 0 CBADRP COC[C@]1(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000572838684 328095581 /nfs/dbraw/zinc/09/55/81/328095581.db2.gz HOYJUQPYSFIGEW-ZFWWWQNUSA-N 2 0 298.431 -0.635 20 0 CBADRP CC(C)(CNC(=O)C(=O)NC1C[NH2+]C1)[NH+]1CCCCC1 ZINC000571303597 328101151 /nfs/dbraw/zinc/10/11/51/328101151.db2.gz CYFMMGUTQYVUDY-UHFFFAOYSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn(CCC[NH3+])nn2)C[C@@]1(C)C[NH3+] ZINC000571283592 328097560 /nfs/dbraw/zinc/09/75/60/328097560.db2.gz UEKARKVOQPOVCN-ZWNOBZJWSA-N 2 0 280.376 -0.316 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)[C@H]1C ZINC000571288024 328098313 /nfs/dbraw/zinc/09/83/13/328098313.db2.gz YQNWBHUYRQVJBM-SRVKXCTJSA-N 2 0 292.387 -0.148 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)C(F)F ZINC000571325946 328107415 /nfs/dbraw/zinc/10/74/15/328107415.db2.gz XZKQLCRCLGMGDV-HTQZYQBOSA-N 2 0 251.277 -0.536 20 0 CBADRP C[C@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000584340474 328127769 /nfs/dbraw/zinc/12/77/69/328127769.db2.gz GEGHIJVUTWKNLL-DGCLKSJQSA-N 2 0 283.420 -0.247 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000571521952 328131130 /nfs/dbraw/zinc/13/11/30/328131130.db2.gz IQVJRURJMGMILP-LLVKDONJSA-N 2 0 251.334 -0.062 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](CC[NH3+])C(F)F ZINC000571522577 328131614 /nfs/dbraw/zinc/13/16/14/328131614.db2.gz DOFJQWCUUKIOHV-APPZFPTMSA-N 2 0 280.319 -0.815 20 0 CBADRP C[C@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)C[C@H](C)[NH2+]1 ZINC000571558307 328133853 /nfs/dbraw/zinc/13/38/53/328133853.db2.gz UTQMANBFBPKNAL-QWRGUYRKSA-N 2 0 280.376 -0.161 20 0 CBADRP CCC[NH2+]CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000571640845 328162849 /nfs/dbraw/zinc/16/28/49/328162849.db2.gz UBYJJFILUZFFNY-LLVKDONJSA-N 2 0 270.377 -0.640 20 0 CBADRP C[C@H]1CN(C(=O)c2cn(CCC[NH3+])nn2)[C@@H](C)C[NH2+]1 ZINC000563704915 328483263 /nfs/dbraw/zinc/48/32/63/328483263.db2.gz BEKUYXBKNHWFRS-UWVGGRQHSA-N 2 0 266.349 -0.551 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn(CCC[NH3+])nn2)[C@H](C)C[NH2+]1 ZINC000563704878 328483272 /nfs/dbraw/zinc/48/32/72/328483272.db2.gz BEKUYXBKNHWFRS-NXEZZACHSA-N 2 0 266.349 -0.551 20 0 CBADRP CC(C)[C@@H](C(=O)NCCN1CC[NH+](C)CC1)[C@@H](C)[NH3+] ZINC000399545892 326807490 /nfs/dbraw/zinc/80/74/90/326807490.db2.gz BQSPJKOQAOJXSS-CHWSQXEVSA-N 2 0 270.421 -0.031 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000557242045 326998291 /nfs/dbraw/zinc/99/82/91/326998291.db2.gz XTJLHMDYCGGSIH-AWEZNQCLSA-N 2 0 295.431 -0.373 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000557310417 327001375 /nfs/dbraw/zinc/00/13/75/327001375.db2.gz DFGHRGAOWWRLDJ-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000584112045 327009549 /nfs/dbraw/zinc/00/95/49/327009549.db2.gz JUMFUYJZJPWOOP-RNCFNFMXSA-N 2 0 291.359 -0.848 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000557596099 327014996 /nfs/dbraw/zinc/01/49/96/327014996.db2.gz LBAWXWOOWSNMGX-CHWSQXEVSA-N 2 0 268.405 -0.310 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000565833628 327031064 /nfs/dbraw/zinc/03/10/64/327031064.db2.gz MIEMMYRUVMLBOO-YNEHKIRRSA-N 2 0 268.405 -0.134 20 0 CBADRP CC(C)[C@H]1CN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC[N@@H+]1C ZINC000584221968 327066411 /nfs/dbraw/zinc/06/64/11/327066411.db2.gz MJAVKGAISOAEIJ-ZIAGYGMSSA-N 2 0 297.447 -0.128 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000564448287 327089244 /nfs/dbraw/zinc/08/92/44/327089244.db2.gz LHZHNCWLIPWLJA-NWDGAFQWSA-N 2 0 282.388 -0.430 20 0 CBADRP CCOCC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000569340271 327098502 /nfs/dbraw/zinc/09/85/02/327098502.db2.gz FMAUAOHBBDGXLY-CHWSQXEVSA-N 2 0 260.378 -0.180 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](COCCOC)C1 ZINC000573126261 327100790 /nfs/dbraw/zinc/10/07/90/327100790.db2.gz MOMTZZWQKLPUKI-QWHCGFSZSA-N 2 0 260.378 -0.058 20 0 CBADRP CC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000566179877 327157902 /nfs/dbraw/zinc/15/79/02/327157902.db2.gz VYJCMQDOBHGGCF-NXEZZACHSA-N 2 0 256.350 -0.820 20 0 CBADRP O=C(CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000569455942 327180105 /nfs/dbraw/zinc/18/01/05/327180105.db2.gz FDJHOVOXPQTLCG-CQSZACIVSA-N 2 0 266.389 -0.506 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000569481227 327183907 /nfs/dbraw/zinc/18/39/07/327183907.db2.gz ARBQNJXUFJQDDZ-SDDRHHMPSA-N 2 0 282.388 -0.560 20 0 CBADRP CCCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000566200697 327186186 /nfs/dbraw/zinc/18/61/86/327186186.db2.gz XNCDNCWHYNCCLB-ZDUSSCGKSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000564938385 327196287 /nfs/dbraw/zinc/19/62/87/327196287.db2.gz URKGNVDEBMDPKN-XQQFMLRXSA-N 2 0 283.420 -0.199 20 0 CBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)C3([NH3+])CCCCC3)CCN2C1=O ZINC000572617731 327196549 /nfs/dbraw/zinc/19/65/49/327196549.db2.gz GDWISRMOSZQLHV-MNOVXSKESA-N 2 0 280.372 -0.582 20 0 CBADRP CCO[C@H]1C[C@]([NH3+])(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1(C)C ZINC000566214100 327197382 /nfs/dbraw/zinc/19/73/82/327197382.db2.gz SHEPWRQQNLOLIT-DMIRSCGOSA-N 2 0 267.373 -0.147 20 0 CBADRP CN1CCN(C(=O)[C@H]([NH3+])CC(F)F)[C@H](C[NH3+])C1 ZINC000569577035 327200782 /nfs/dbraw/zinc/20/07/82/327200782.db2.gz WPRHEALGMRCZRT-HTQZYQBOSA-N 2 0 250.293 -0.930 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cn(CCCC[NH3+])nn1 ZINC000569606199 327209831 /nfs/dbraw/zinc/20/98/31/327209831.db2.gz AMHLXGBODLIFPT-WDEREUQCSA-N 2 0 280.376 -0.161 20 0 CBADRP C[C@H]1[NH2+]CCN(C(=O)COC2CC[NH2+]CC2)[C@@H]1C ZINC000584293023 327224014 /nfs/dbraw/zinc/22/40/14/327224014.db2.gz SZLPDMDGDGPPSK-GHMZBOCLSA-N 2 0 255.362 -0.036 20 0 CBADRP CN1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)[C@H](C[NH3+])C1 ZINC000564944432 327247389 /nfs/dbraw/zinc/24/73/89/327247389.db2.gz PXKIWVSFLWGTNU-GHMZBOCLSA-N 2 0 292.387 -0.799 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000566236536 327253811 /nfs/dbraw/zinc/25/38/11/327253811.db2.gz FQMOCRNOJHFAIQ-TUAOUCFPSA-N 2 0 284.404 -0.219 20 0 CBADRP COCC[NH2+]CCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000583380398 327334466 /nfs/dbraw/zinc/33/44/66/327334466.db2.gz GPFPMNWJKNVQJO-JTQLQIEISA-N 2 0 281.360 -0.548 20 0 CBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000583382028 327335379 /nfs/dbraw/zinc/33/53/79/327335379.db2.gz CAQKDPRUGAAUNQ-GXFFZTMASA-N 2 0 270.377 -0.656 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000564991756 327343764 /nfs/dbraw/zinc/34/37/64/327343764.db2.gz ZMJDHTIJEFJWRQ-AAEUAGOBSA-N 2 0 270.377 -0.671 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000564994688 327347597 /nfs/dbraw/zinc/34/75/97/327347597.db2.gz SQYBSIJNCJBUIH-AAEUAGOBSA-N 2 0 284.404 -0.184 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000564994694 327347610 /nfs/dbraw/zinc/34/76/10/327347610.db2.gz SQYBSIJNCJBUIH-YPMHNXCESA-N 2 0 284.404 -0.184 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000578988911 327354101 /nfs/dbraw/zinc/35/41/01/327354101.db2.gz REWDJEXUWMNMFG-QWRGUYRKSA-N 2 0 284.404 -0.171 20 0 CBADRP CCO[C@H]1C[C@@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000572619420 327393516 /nfs/dbraw/zinc/39/35/16/327393516.db2.gz LUMCDORCGGHMPQ-UTUOFQBUSA-N 2 0 270.377 -0.162 20 0 CBADRP CCCCCNC(=O)[C@H](C)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566494593 327398877 /nfs/dbraw/zinc/39/88/77/327398877.db2.gz APPNRZPJZHJVKN-YNEHKIRRSA-N 2 0 296.415 -0.075 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[NH+](C)C ZINC000566497119 327399643 /nfs/dbraw/zinc/39/96/43/327399643.db2.gz XBTOBGWYDVHWFG-UTUOFQBUSA-N 2 0 282.388 -0.657 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000562814264 327516848 /nfs/dbraw/zinc/51/68/48/327516848.db2.gz NOLKBRWGOUBSPC-UHFFFAOYSA-N 2 0 285.392 -0.765 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000570214235 327576428 /nfs/dbraw/zinc/57/64/28/327576428.db2.gz IBDBTAZYULNMDX-KOLCDFICSA-N 2 0 272.393 -0.425 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000570206470 327576580 /nfs/dbraw/zinc/57/65/80/327576580.db2.gz MYFLEAMVRXBZEF-JTQLQIEISA-N 2 0 256.350 -0.996 20 0 CBADRP COC1(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC[NH2+]CC1 ZINC000584351807 328731619 /nfs/dbraw/zinc/73/16/19/328731619.db2.gz MMMBNIKUKUWXQP-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000572869869 328833258 /nfs/dbraw/zinc/83/32/58/328833258.db2.gz VBMPVJCNPOWFKA-JTQLQIEISA-N 2 0 266.349 -0.503 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000571679597 328850405 /nfs/dbraw/zinc/85/04/05/328850405.db2.gz OKINSAXQTNVSJN-RKDXNWHRSA-N 2 0 251.334 -0.046 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582302442 328955185 /nfs/dbraw/zinc/95/51/85/328955185.db2.gz VKQXOPFREDDHKW-IUODEOHRSA-N 2 0 294.399 -0.543 20 0 CBADRP [NH3+]CC[C@H]1CCCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000583692412 329002628 /nfs/dbraw/zinc/00/26/28/329002628.db2.gz AJZJXGMHWBJIDE-OLZOCXBDSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@@H]1C[C@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)[C@@H](C)O1 ZINC000582482145 329095650 /nfs/dbraw/zinc/09/56/50/329095650.db2.gz VUTVBBTUVHPZTO-TUVASFSCSA-N 2 0 285.432 -0.002 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000582536655 329108425 /nfs/dbraw/zinc/10/84/25/329108425.db2.gz XJOYAQMBUSNEIK-AVGNSLFASA-N 2 0 294.399 -0.402 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000582607183 329115532 /nfs/dbraw/zinc/11/55/32/329115532.db2.gz YAASLZGXJHBUIP-UONOGXRCSA-N 2 0 275.352 -0.195 20 0 CBADRP COCC(C)(C)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000582720760 329130212 /nfs/dbraw/zinc/13/02/12/329130212.db2.gz FYGRYLVNYNWMRI-ZDUSSCGKSA-N 2 0 273.421 -0.143 20 0 CBADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000582959421 329289803 /nfs/dbraw/zinc/28/98/03/329289803.db2.gz ZNBGHJONOUPJLM-LLVKDONJSA-N 2 0 255.362 -0.131 20 0 CBADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000582954874 329293405 /nfs/dbraw/zinc/29/34/05/329293405.db2.gz ARYBWCXYRVYKJD-UHFFFAOYSA-N 2 0 296.415 -0.345 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)C1(C[NH3+])CCC1 ZINC000582965804 329294868 /nfs/dbraw/zinc/29/48/68/329294868.db2.gz ZQCIKIIIZLIQCA-SECBINFHSA-N 2 0 257.334 -0.393 20 0 CBADRP O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1CC[C@@H]1CC[NH2+]C1 ZINC000583082433 329311677 /nfs/dbraw/zinc/31/16/77/329311677.db2.gz WWNRIGBAEZUYDO-GXFFZTMASA-N 2 0 266.345 -0.340 20 0 CBADRP C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)[N@H+](C)C1CC1 ZINC000583132924 329318934 /nfs/dbraw/zinc/31/89/34/329318934.db2.gz KJPUDSQMWAAMSG-YPMHNXCESA-N 2 0 283.420 -0.328 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000583142553 329321529 /nfs/dbraw/zinc/32/15/29/329321529.db2.gz DJTKFRBLQAAFFM-NQBHXWOUSA-N 2 0 252.362 -0.994 20 0 CBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)[C@H]2C1 ZINC000583194022 329355726 /nfs/dbraw/zinc/35/57/26/329355726.db2.gz PZMZLZFWJPRTES-RYUDHWBXSA-N 2 0 294.399 -0.463 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000583198176 329360220 /nfs/dbraw/zinc/36/02/20/329360220.db2.gz NKOQZNIXUSDPET-RWMBFGLXSA-N 2 0 294.399 -0.641 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000583811288 329480836 /nfs/dbraw/zinc/48/08/36/329480836.db2.gz PDCHEEXYEJLOKY-WOPDTQHZSA-N 2 0 283.372 -0.275 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000564082875 329668773 /nfs/dbraw/zinc/66/87/73/329668773.db2.gz GTUHPYPEIDIYAO-GHMZBOCLSA-N 2 0 268.361 -0.935 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)C[C@@H]21 ZINC000571882943 329927980 /nfs/dbraw/zinc/92/79/80/329927980.db2.gz IZSPTEOJPXYIGV-KKJSVHSVSA-N 2 0 253.346 -0.705 20 0 CBADRP CN(CC[NH3+])C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000572410192 330062982 /nfs/dbraw/zinc/06/29/82/330062982.db2.gz RMYZERUVLNTXFR-UHFFFAOYSA-N 2 0 277.372 -0.136 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000574990084 330123365 /nfs/dbraw/zinc/12/33/65/330123365.db2.gz FMTAOUDGAKPBRQ-WDEREUQCSA-N 2 0 269.345 -0.380 20 0 CBADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000574993039 330125800 /nfs/dbraw/zinc/12/58/00/330125800.db2.gz FHDZVXTYHJXERV-GRYCIOLGSA-N 2 0 275.418 -0.002 20 0 CBADRP C[C@@H]1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)C[C@H]1C[NH3+] ZINC000580421088 330128932 /nfs/dbraw/zinc/12/89/32/330128932.db2.gz ISZYTKJXCKWNIM-UPJWGTAASA-N 2 0 283.420 -0.484 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000580434084 330132417 /nfs/dbraw/zinc/13/24/17/330132417.db2.gz VPRFRVYIGGLXBT-LLVKDONJSA-N 2 0 257.378 -0.026 20 0 CBADRP O=C([C@@H]1CCC[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000580428991 330133888 /nfs/dbraw/zinc/13/38/88/330133888.db2.gz JSPMXLGBZNNSSW-OLZOCXBDSA-N 2 0 266.389 -0.508 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000580429461 330134144 /nfs/dbraw/zinc/13/41/44/330134144.db2.gz HICTYSYSYLGZOB-QWRGUYRKSA-N 2 0 268.361 -0.935 20 0 CBADRP [NH3+]CC(=O)NCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000580443085 330136005 /nfs/dbraw/zinc/13/60/05/330136005.db2.gz IEDRPNXWXNRNHG-UHFFFAOYSA-N 2 0 270.377 -0.510 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000580445899 330139621 /nfs/dbraw/zinc/13/96/21/330139621.db2.gz LGTIXQQTQINWHH-SRVKXCTJSA-N 2 0 282.388 -0.417 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000572499070 330807606 /nfs/dbraw/zinc/80/76/06/330807606.db2.gz OYKNKYBRKFKVBK-UHFFFAOYSA-N 2 0 296.415 -0.073 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000575354442 335097128 /nfs/dbraw/zinc/09/71/28/335097128.db2.gz QJZAHELHTIBUFO-NWDGAFQWSA-N 2 0 268.405 -0.216 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000566249861 334638852 /nfs/dbraw/zinc/63/88/52/334638852.db2.gz PQKQUAKAIQBVAW-SCDSUCTJSA-N 2 0 284.404 -0.471 20 0 CBADRP CC(C)[C@H](C(=O)NCC(=O)N1CC[NH2+]CC1)[C@@H](C)[NH3+] ZINC000568989906 334849869 /nfs/dbraw/zinc/84/98/69/334849869.db2.gz XZPNMDNEJYMCGE-PWSUYJOCSA-N 2 0 270.377 -0.846 20 0 CBADRP [NH3+][C@H]1CCc2ncc(NC(=O)COC3C[NH2+]C3)cc2C1 ZINC000575869654 335126558 /nfs/dbraw/zinc/12/65/58/335126558.db2.gz GHZFZFJKAQZXPZ-JTQLQIEISA-N 2 0 276.340 -0.176 20 0 CBADRP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000575986450 335138425 /nfs/dbraw/zinc/13/84/25/335138425.db2.gz FMLAKFQAGGAITH-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](C)C[C@H]1C ZINC000311179753 334038218 /nfs/dbraw/zinc/03/82/18/334038218.db2.gz XXYWVCMYBPGYFS-CHWSQXEVSA-N 2 0 259.394 -0.439 20 0 CBADRP O=C(CCOC1C[NH2+]C1)NCC[C@H]1CCC[NH2+]C1 ZINC000564321095 334089548 /nfs/dbraw/zinc/08/95/48/334089548.db2.gz NVWUIMSIMLMDSG-LLVKDONJSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000564351953 334157602 /nfs/dbraw/zinc/15/76/02/334157602.db2.gz RDTYEXPTZOJVGM-TUAOUCFPSA-N 2 0 252.362 -0.011 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000576277212 335181254 /nfs/dbraw/zinc/18/12/54/335181254.db2.gz UWRGMDDHYGTIHF-JOYOIKCWSA-N 2 0 255.318 -0.911 20 0 CBADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2cnn(C)c2)C[C@@H](C)O1 ZINC000553458416 334386524 /nfs/dbraw/zinc/38/65/24/334386524.db2.gz ZSAONVHPQRPNSM-BZPMIXESSA-N 2 0 282.388 -0.020 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N(C)CC(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC000564893323 334526684 /nfs/dbraw/zinc/52/66/84/334526684.db2.gz BJKJIHDFAKROKP-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000564947846 334529791 /nfs/dbraw/zinc/52/97/91/334529791.db2.gz WOJDKDAKKBCZAG-UWVGGRQHSA-N 2 0 263.345 -0.032 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000564947847 334529826 /nfs/dbraw/zinc/52/98/26/334529826.db2.gz WOJDKDAKKBCZAG-VHSXEESVSA-N 2 0 263.345 -0.032 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)O1 ZINC000564992186 334532983 /nfs/dbraw/zinc/53/29/83/334532983.db2.gz KGCBGWHIOSQKFO-TUAOUCFPSA-N 2 0 253.346 -0.154 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000564992806 334533163 /nfs/dbraw/zinc/53/31/63/334533163.db2.gz UKHSQKCWBWRAQF-MNOVXSKESA-N 2 0 271.361 -0.099 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCOCC[NH+](C)C ZINC000565420712 334561830 /nfs/dbraw/zinc/56/18/30/334561830.db2.gz NIMHGMJDACMPNZ-QWRGUYRKSA-N 2 0 260.382 -0.010 20 0 CBADRP CC(C)[C@](C)(C[NH3+])NC(=O)c1cn(CC[NH3+])nn1 ZINC000565430977 334563340 /nfs/dbraw/zinc/56/33/40/334563340.db2.gz ISNRLASURWVZLK-NSHDSACASA-N 2 0 254.338 -0.660 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000565470906 334565878 /nfs/dbraw/zinc/56/58/78/334565878.db2.gz DAUIREAAPMYPCQ-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP O=C([C@@H]1CC12CC[NH2+]CC2)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000565537324 334572228 /nfs/dbraw/zinc/57/22/28/334572228.db2.gz BKQCJKATCWBDCS-KBPBESRZSA-N 2 0 292.427 -0.118 20 0 CBADRP O=C(CC[C@@H]1CC[NH2+]C1)NCCN1CC[NH2+]CC1 ZINC000565596744 334577458 /nfs/dbraw/zinc/57/74/58/334577458.db2.gz KRGBBPYXGAEIER-GFCCVEGCSA-N 2 0 254.378 -0.603 20 0 CBADRP CC(C)[NH2+]CCC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000565598955 334577860 /nfs/dbraw/zinc/57/78/60/334577860.db2.gz YNXCGEGVDLMDCY-UHFFFAOYSA-N 2 0 270.377 -0.735 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000565882394 334605604 /nfs/dbraw/zinc/60/56/04/334605604.db2.gz BFRONKRNIRSRHL-UHFFFAOYSA-N 2 0 286.420 -0.099 20 0 CBADRP O=C(C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)N1CC[NH2+]CC1 ZINC000566088493 334621437 /nfs/dbraw/zinc/62/14/37/334621437.db2.gz UTNOPWCGAPGBGW-KWCYVHTRSA-N 2 0 279.384 -0.035 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000566213469 334636116 /nfs/dbraw/zinc/63/61/16/334636116.db2.gz RYGSZKHNQGFWLF-GRYCIOLGSA-N 2 0 282.388 -0.512 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000566212822 334636129 /nfs/dbraw/zinc/63/61/29/334636129.db2.gz WPVCXBBMJRTZMD-ZIAGYGMSSA-N 2 0 276.384 -0.251 20 0 CBADRP [NH3+]CC[C@H]1CCCN(C(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000567109383 334681613 /nfs/dbraw/zinc/68/16/13/334681613.db2.gz CIUMMZPRQDWFHF-VXGBXAGGSA-N 2 0 255.362 -0.048 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000567168685 334686742 /nfs/dbraw/zinc/68/67/42/334686742.db2.gz TWZVHSLHNJAVJR-KKZNHRDASA-N 2 0 258.366 -0.672 20 0 CBADRP COC[C@]1(CNC(=O)N(C)CCC[NH3+])CCC[NH2+]1 ZINC000567368655 334709765 /nfs/dbraw/zinc/70/97/65/334709765.db2.gz FTDBNAWZMXRZHJ-GFCCVEGCSA-N 2 0 258.366 -0.255 20 0 CBADRP COC[C@@]1(C(=O)NCC2CC[NH2+]CC2)CC[NH2+]C1 ZINC000567463217 334722220 /nfs/dbraw/zinc/72/22/20/334722220.db2.gz HLHBBVSJNUPWJL-CYBMUJFWSA-N 2 0 255.362 -0.272 20 0 CBADRP C[C@@H](NC(=O)C(C)(C)[NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000567732041 334756534 /nfs/dbraw/zinc/75/65/34/334756534.db2.gz MPLANZVBGSMIDL-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](Cn1cccn1)[NH2+]CCC(=O)N1CC[NH2+]CC1 ZINC000567895381 334772972 /nfs/dbraw/zinc/77/29/72/334772972.db2.gz FZMKRIPBFKPCOO-LBPRGKRZSA-N 2 0 265.361 -0.317 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)CC1 ZINC000568211623 334804510 /nfs/dbraw/zinc/80/45/10/334804510.db2.gz DIAHKMGSVWHYPI-OAHLLOKOSA-N 2 0 281.400 -0.099 20 0 CBADRP Nc1cccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1 ZINC000568278429 334811625 /nfs/dbraw/zinc/81/16/25/334811625.db2.gz SMCHLMPVRVXROV-UHFFFAOYSA-N 2 0 286.401 -0.043 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000568388454 334821858 /nfs/dbraw/zinc/82/18/58/334821858.db2.gz YVWJCLAOIJZOTN-OLZOCXBDSA-N 2 0 266.389 -0.365 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCC[C@@H]2CO)CC1 ZINC000568391486 334822050 /nfs/dbraw/zinc/82/20/50/334822050.db2.gz BLZNXDBKUFAHTP-HZSPNIEDSA-N 2 0 271.405 -0.655 20 0 CBADRP [NH3+]C1(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CCC1 ZINC000568627914 334833549 /nfs/dbraw/zinc/83/35/49/334833549.db2.gz JUEOUYJVSLBTSN-SNVBAGLBSA-N 2 0 278.360 -0.359 20 0 CBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000568732243 334837960 /nfs/dbraw/zinc/83/79/60/334837960.db2.gz JDZGPYOVOSPTND-UHFFFAOYSA-N 2 0 268.361 -0.981 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000568766024 334839999 /nfs/dbraw/zinc/83/99/99/334839999.db2.gz GHWJXQPCIWMUBK-WCQYABFASA-N 2 0 270.377 -0.717 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000568864638 334843883 /nfs/dbraw/zinc/84/38/83/334843883.db2.gz FTPFPNFNUSUHBG-VDDIYKPWSA-N 2 0 257.334 -0.680 20 0 CBADRP C[NH+](C)CCn1nccc1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000573105026 334908528 /nfs/dbraw/zinc/90/85/28/334908528.db2.gz SCEJCOINGHISCL-JTQLQIEISA-N 2 0 266.349 -0.072 20 0 CBADRP [NH3+]C[C@@H](NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C1CC1 ZINC000573204578 334917402 /nfs/dbraw/zinc/91/74/02/334917402.db2.gz BZTANVKZDKFRTR-WDEREUQCSA-N 2 0 278.360 -0.503 20 0 CBADRP O[C@H](CNC[C@H](O)C[NH+]1CCCCC1)Cn1cccn1 ZINC000576346249 335192463 /nfs/dbraw/zinc/19/24/63/335192463.db2.gz HVQAGTOIWSJALJ-UONOGXRCSA-N 2 0 282.388 -0.320 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCC[NH2+]C1CC1 ZINC000576347967 335192676 /nfs/dbraw/zinc/19/26/76/335192676.db2.gz LNWJGRXZHSDCPU-LBPRGKRZSA-N 2 0 282.388 -0.497 20 0 CBADRP NC(=O)NC(=O)CC[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000576399489 335198828 /nfs/dbraw/zinc/19/88/28/335198828.db2.gz MTRXXXQTPUDXOL-LLVKDONJSA-N 2 0 286.376 -0.602 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000576412522 335201195 /nfs/dbraw/zinc/20/11/95/335201195.db2.gz XBICIWMYYDRUMQ-NEPJUHHUSA-N 2 0 269.393 -0.717 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000576412526 335201275 /nfs/dbraw/zinc/20/12/75/335201275.db2.gz XBICIWMYYDRUMQ-RYUDHWBXSA-N 2 0 269.393 -0.717 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000576520922 335214405 /nfs/dbraw/zinc/21/44/05/335214405.db2.gz OAVVOUTXVYADAU-OLZOCXBDSA-N 2 0 294.399 -0.402 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000576574362 335220282 /nfs/dbraw/zinc/22/02/82/335220282.db2.gz CMNPOKWMINEIMY-GJZGRUSLSA-N 2 0 285.432 -0.047 20 0 CBADRP C[C@]1(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000576703814 335237255 /nfs/dbraw/zinc/23/72/55/335237255.db2.gz RQYYDXHCSFPXKX-KGLIPLIRSA-N 2 0 252.406 -0.035 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1[NH+](C)C ZINC000576744120 335241985 /nfs/dbraw/zinc/24/19/85/335241985.db2.gz XTSQKKIOBZUUII-QNWHQSFQSA-N 2 0 294.399 -0.785 20 0 CBADRP CN(C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[C@H]1CC[NH2+]C1 ZINC000576753824 335243374 /nfs/dbraw/zinc/24/33/74/335243374.db2.gz ZKRLGBZGAHFYKA-ZJUUUORDSA-N 2 0 263.345 -0.080 20 0 CBADRP C[NH2+]CCC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000576819475 335251217 /nfs/dbraw/zinc/25/12/17/335251217.db2.gz HLEUMPZTSGNJRW-GFCCVEGCSA-N 2 0 257.378 -0.195 20 0 CBADRP [NH3+]C1(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000576863372 335256942 /nfs/dbraw/zinc/25/69/42/335256942.db2.gz LISJBFFPUMEUML-MRVPVSSYSA-N 2 0 280.294 -0.570 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC[C@H]1CCC[NH2+]C1 ZINC000580561668 335281812 /nfs/dbraw/zinc/28/18/12/335281812.db2.gz OFMHKKNBRIWJJZ-VXGBXAGGSA-N 2 0 282.388 -0.640 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@H](C[NH3+])C2CCCC2)nn1 ZINC000580583659 335291405 /nfs/dbraw/zinc/29/14/05/335291405.db2.gz VTQROJPQQFMKJW-SNVBAGLBSA-N 2 0 266.349 -0.516 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000577060038 335293006 /nfs/dbraw/zinc/29/30/06/335293006.db2.gz FYHHJSYGWTYSTC-STQMWFEESA-N 2 0 296.415 -0.488 20 0 CBADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](O)COC)CC1 ZINC000577099095 335299727 /nfs/dbraw/zinc/29/97/27/335299727.db2.gz VPHXAXCPSXYLCR-UONOGXRCSA-N 2 0 273.421 -0.143 20 0 CBADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)CNC(=O)C[NH3+] ZINC000577104261 335300830 /nfs/dbraw/zinc/30/08/30/335300830.db2.gz SGSWZJQTYPBCPX-UHFFFAOYSA-N 2 0 293.371 -0.953 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000580647004 335310633 /nfs/dbraw/zinc/31/06/33/335310633.db2.gz VNIIJTJBJVXYQE-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000580647005 335310649 /nfs/dbraw/zinc/31/06/49/335310649.db2.gz VNIIJTJBJVXYQE-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP O=C(CC1CC[NH2+]CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000577175774 335316033 /nfs/dbraw/zinc/31/60/33/335316033.db2.gz INUPXIYRVNQSSD-AWEZNQCLSA-N 2 0 280.416 -0.118 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000577222865 335325563 /nfs/dbraw/zinc/32/55/63/335325563.db2.gz UEHFIRHJKHJQOE-JTQLQIEISA-N 2 0 264.329 -0.053 20 0 CBADRP CN1CCN(C(=O)C[C@H]2CSCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000577371420 335342130 /nfs/dbraw/zinc/34/21/30/335342130.db2.gz BAJSVWQMNDXRLF-WDEREUQCSA-N 2 0 272.418 -0.817 20 0 CBADRP Cc1nccn1CCCN(C)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000577400011 335348720 /nfs/dbraw/zinc/34/87/20/335348720.db2.gz QFRBIMQZGAEZES-NWDGAFQWSA-N 2 0 266.345 -0.237 20 0 CBADRP [NH3+]CC[C@H](NC(=O)C[C@H]1COCC[NH2+]1)C(F)F ZINC000577491928 335358719 /nfs/dbraw/zinc/35/87/19/335358719.db2.gz VXTXWRYZZGIQNZ-YUMQZZPRSA-N 2 0 251.277 -0.536 20 0 CBADRP [NH3+]CC[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)C(F)F ZINC000577491927 335358751 /nfs/dbraw/zinc/35/87/51/335358751.db2.gz VXTXWRYZZGIQNZ-SFYZADRCSA-N 2 0 251.277 -0.536 20 0 CBADRP [NH3+]Cc1ccc(CNC(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000577510339 335362659 /nfs/dbraw/zinc/36/26/59/335362659.db2.gz JAGQOVUFALDPHE-UHFFFAOYSA-N 2 0 291.399 -0.150 20 0 CBADRP [NH3+]CCOCC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000577515061 335363563 /nfs/dbraw/zinc/36/35/63/335363563.db2.gz SKCAFMOYWHOEKL-OLZOCXBDSA-N 3 0 257.378 -0.210 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000577713196 335391481 /nfs/dbraw/zinc/39/14/81/335391481.db2.gz OTBKHZSWUOXKTR-UONOGXRCSA-N 2 0 295.431 -0.230 20 0 CBADRP CC(C)(C(N)=O)N1CCN(C(=O)CC(F)(F)CN)CC1 ZINC000577740854 335395232 /nfs/dbraw/zinc/39/52/32/335395232.db2.gz YYJITDFNRGYVIM-UHFFFAOYSA-N 2 0 292.330 -0.621 20 0 CBADRP C[NH2+]CCCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000577848339 335410865 /nfs/dbraw/zinc/41/08/65/335410865.db2.gz PPUNWBAJNHBHJM-SNVBAGLBSA-N 2 0 266.349 -0.631 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000577951781 335436237 /nfs/dbraw/zinc/43/62/37/335436237.db2.gz SPTRQYKBFVRMAS-YNEHKIRRSA-N 2 0 296.415 -0.170 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000577953202 335437038 /nfs/dbraw/zinc/43/70/38/335437038.db2.gz UTQLVOUHWQAALH-MFKMUULPSA-N 2 0 284.404 -0.328 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000578511524 335643088 /nfs/dbraw/zinc/64/30/88/335643088.db2.gz VEPVXRXKCPVQAF-OCCSQVGLSA-N 2 0 266.389 -0.508 20 0 CBADRP CC[C@]1(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CCC[NH2+]1 ZINC000579025978 335702375 /nfs/dbraw/zinc/70/23/75/335702375.db2.gz OOTQWHAXLCTXDH-COPLHBTASA-N 2 0 280.372 -0.711 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)CC1CC[NH2+]CC1 ZINC000580773349 335964920 /nfs/dbraw/zinc/96/49/20/335964920.db2.gz JORJVZANFWWPRG-GFCCVEGCSA-N 2 0 254.378 -0.604 20 0 CBADRP COC[C@@]1(C(=O)NCCC[NH+]2CCC(O)CC2)CC[NH2+]C1 ZINC000581129909 336012427 /nfs/dbraw/zinc/01/24/27/336012427.db2.gz KDRNRAOOAJXWMJ-OAHLLOKOSA-N 2 0 299.415 -0.425 20 0 CBADRP CC[NH2+]CC1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000581130560 336012550 /nfs/dbraw/zinc/01/25/50/336012550.db2.gz QPHJXRGZEWWJMA-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000581180667 336020332 /nfs/dbraw/zinc/02/03/32/336020332.db2.gz XKFBRWNSHURWBZ-UHFFFAOYSA-N 2 0 295.431 -0.157 20 0 CBADRP C[C@]1(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000581190536 336021857 /nfs/dbraw/zinc/02/18/57/336021857.db2.gz SAALBCTZTQOEJU-DOMZBBRYSA-N 2 0 296.415 -0.249 20 0 CBADRP CN1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)[C@H](C[NH3+])C1 ZINC000581300014 336041623 /nfs/dbraw/zinc/04/16/23/336041623.db2.gz FBEQERHLQFBRKD-ZIAGYGMSSA-N 2 0 291.399 -0.029 20 0 CBADRP COC(=O)CCNC(=O)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000581311150 336045905 /nfs/dbraw/zinc/04/59/05/336045905.db2.gz IYKPEIIOXQUSTQ-GHMZBOCLSA-N 2 0 269.345 -0.793 20 0 CBADRP COC1(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC[NH2+]CC1 ZINC000581311492 336045939 /nfs/dbraw/zinc/04/59/39/336045939.db2.gz MNCDEDTVCRADGG-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000581368535 336062540 /nfs/dbraw/zinc/06/25/40/336062540.db2.gz OERSCJLZODMYRQ-QWRGUYRKSA-N 2 0 280.376 -0.385 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000581499885 336090683 /nfs/dbraw/zinc/09/06/83/336090683.db2.gz VWJWBZFHNZQZFX-GRYCIOLGSA-N 2 0 252.362 -0.770 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000581546942 336099869 /nfs/dbraw/zinc/09/98/69/336099869.db2.gz PKVWJPWLTAEYCI-MNOVXSKESA-N 2 0 260.382 -0.274 20 0 CBADRP C[NH2+]CCCN(C)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000581666711 336120956 /nfs/dbraw/zinc/12/09/56/336120956.db2.gz WLACSPHLPZTJHQ-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP O=C([C@H]1CC[NH2+]1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000384758437 336130511 /nfs/dbraw/zinc/13/05/11/336130511.db2.gz UMPHUDIEPZVSQA-CYBMUJFWSA-N 2 0 267.373 -0.081 20 0 CBADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)NC2C[NH2+]C2)([NH+](C)C)C1 ZINC000581874595 336156387 /nfs/dbraw/zinc/15/63/87/336156387.db2.gz TYDVZTAPFXVEBB-ABAIWWIYSA-N 2 0 296.415 -0.299 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000581955469 336179016 /nfs/dbraw/zinc/17/90/16/336179016.db2.gz LVAULISYTBEONA-STQMWFEESA-N 2 0 294.399 -0.449 20 0 CBADRP O=C(N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000378202983 534765354 /nfs/dbraw/zinc/76/53/54/534765354.db2.gz PLNLXTDOQZRKAG-JSGCOSHPSA-N 2 0 285.363 -0.131 20 0 CBADRP C[C@@H](CC[NH+](C)C)NS(=O)(=O)N1CC[NH2+]CC1 ZINC000049560541 524476044 /nfs/dbraw/zinc/47/60/44/524476044.db2.gz PWCQSRZERLOMFU-JTQLQIEISA-N 2 0 264.395 -0.934 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCO ZINC000829749129 582897574 /nfs/dbraw/zinc/89/75/74/582897574.db2.gz DAWCYJZIXUKABF-LBPRGKRZSA-N 2 0 257.378 -0.101 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000357252287 536505291 /nfs/dbraw/zinc/50/52/91/536505291.db2.gz WFTCOHDGKGSKMZ-NSHDSACASA-N 2 0 257.378 -0.074 20 0 CBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000357939371 535259298 /nfs/dbraw/zinc/25/92/98/535259298.db2.gz ZIYYYVWMOKTMAR-XQQFMLRXSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000370191622 535701122 /nfs/dbraw/zinc/70/11/22/535701122.db2.gz DMTIYZBTTOVLKY-ZDUSSCGKSA-N 2 0 272.368 -0.558 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000236881602 535701149 /nfs/dbraw/zinc/70/11/49/535701149.db2.gz GSXCYHIJWZYAJU-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP C[NH+](C)CCNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000357244447 535890862 /nfs/dbraw/zinc/89/08/62/535890862.db2.gz SBMMDBLZLIOFNK-JTQLQIEISA-N 2 0 266.349 -0.506 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000128973730 582122820 /nfs/dbraw/zinc/12/28/20/582122820.db2.gz IXGATTNYYAFMCK-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000131958311 582123653 /nfs/dbraw/zinc/12/36/53/582123653.db2.gz XTEIRYQVBRXICV-GFCCVEGCSA-N 2 0 284.404 -0.360 20 0 CBADRP COCC[N@H+](C)CCNC(=S)NCC[NH+](C)C ZINC000726907953 582139371 /nfs/dbraw/zinc/13/93/71/582139371.db2.gz RLVJUABIOMYLRE-UHFFFAOYSA-N 2 0 262.423 -0.410 20 0 CBADRP C[C@H](O)C[NH+]1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000729929950 582148393 /nfs/dbraw/zinc/14/83/93/582148393.db2.gz FEPIPHYNWLYBGA-UONOGXRCSA-N 2 0 271.405 -0.559 20 0 CBADRP OCCCC[NH+]1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000749366586 582289553 /nfs/dbraw/zinc/28/95/53/582289553.db2.gz NQPHTDBXGLTATP-HNNXBMFYSA-N 2 0 285.432 -0.167 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC000763017554 582318911 /nfs/dbraw/zinc/31/89/11/582318911.db2.gz UEQICFFMZSULHC-GFCCVEGCSA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@H](CCO)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000779343816 582360909 /nfs/dbraw/zinc/36/09/09/582360909.db2.gz BPSGNNLOVNDLNJ-VXGBXAGGSA-N 2 0 257.378 -0.066 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000783919017 582373131 /nfs/dbraw/zinc/37/31/31/582373131.db2.gz WSHLJMNXNLEOMV-ZIAGYGMSSA-N 2 0 280.416 -0.023 20 0 CBADRP C[C@@]1(C(N)=O)CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000796581449 582412022 /nfs/dbraw/zinc/41/20/22/582412022.db2.gz QGSCYFFHHIPUPY-WCQYABFASA-N 2 0 255.362 -0.360 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC[S@](C)=O ZINC000798197821 582414565 /nfs/dbraw/zinc/41/45/65/582414565.db2.gz VKHRLXAOHITBJK-KRWDZBQOSA-N 2 0 261.435 -0.066 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000800377144 582422552 /nfs/dbraw/zinc/42/25/52/582422552.db2.gz MYKVLANHVYWGJX-ILXRZTDVSA-N 2 0 285.432 -0.170 20 0 CBADRP Cn1nncc1CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000807612552 582440080 /nfs/dbraw/zinc/44/00/80/582440080.db2.gz LIHXJLVCEJLLNF-UHFFFAOYSA-N 2 0 297.407 -0.550 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCOC2CCC2)CC1 ZINC000819119927 582526949 /nfs/dbraw/zinc/52/69/49/582526949.db2.gz HUFIHPJNSSYFBE-CYBMUJFWSA-N 2 0 271.405 -0.247 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCC=CO2)CC1 ZINC000819246492 582530026 /nfs/dbraw/zinc/53/00/26/582530026.db2.gz MDNLDRWZJPXIBU-ZIAGYGMSSA-N 2 0 269.389 -0.123 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000822724846 582645184 /nfs/dbraw/zinc/64/51/84/582645184.db2.gz ZEWKIPCLXJWHNH-CYBMUJFWSA-N 2 0 266.389 -0.412 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000824301579 582693120 /nfs/dbraw/zinc/69/31/20/582693120.db2.gz SNNGGPCSRANFJS-NWDGAFQWSA-N 2 0 253.346 -0.640 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000827936806 582836198 /nfs/dbraw/zinc/83/61/98/582836198.db2.gz WGIAEIDUZIMEMO-HZSPNIEDSA-N 2 0 297.399 -0.266 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000828878026 582874812 /nfs/dbraw/zinc/87/48/12/582874812.db2.gz VXEBJYSMHZUYKV-WCQYABFASA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000828878024 582874833 /nfs/dbraw/zinc/87/48/33/582874833.db2.gz VXEBJYSMHZUYKV-DGCLKSJQSA-N 2 0 268.405 -0.134 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC000830140456 582922297 /nfs/dbraw/zinc/92/22/97/582922297.db2.gz DNBJDRRPHBJFRQ-NSHDSACASA-N 2 0 255.362 -0.083 20 0 CBADRP [NH3+]CCCCCCNC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000831299359 582975054 /nfs/dbraw/zinc/97/50/54/582975054.db2.gz RAOACFGKNOKIDG-UHFFFAOYSA-N 2 0 270.377 -0.111 20 0 CBADRP O=C(N1CCN([C@H]2CC[NH2+]C2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000831683654 582993626 /nfs/dbraw/zinc/99/36/26/582993626.db2.gz XUBQQBRMAVYYPQ-AAEUAGOBSA-N 2 0 270.352 -0.806 20 0 CBADRP CCO[C@@H](CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)C[NH+](C)C ZINC000831707742 582996353 /nfs/dbraw/zinc/99/63/53/582996353.db2.gz LDYWYHBDKWZNBU-KGLIPLIRSA-N 2 0 299.415 -0.210 20 0 CBADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000831822811 583004040 /nfs/dbraw/zinc/00/40/40/583004040.db2.gz OSNVGPQHQCHQKF-CYBMUJFWSA-N 2 0 273.352 -0.349 20 0 CBADRP C[C@H]1CCC[N@@H+]1CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000831971420 583009457 /nfs/dbraw/zinc/00/94/57/583009457.db2.gz XGJZNRSARQGUSJ-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000832770666 583046734 /nfs/dbraw/zinc/04/67/34/583046734.db2.gz ZWQXSMZMDQCLCQ-SECBINFHSA-N 2 0 251.334 -0.232 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000834673638 583135047 /nfs/dbraw/zinc/13/50/47/583135047.db2.gz SVJMRQIWGAHRQA-OLZOCXBDSA-N 2 0 296.415 -0.040 20 0 CBADRP [NH3+]CCOCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000834718294 583135239 /nfs/dbraw/zinc/13/52/39/583135239.db2.gz AEWHKKUYWMTVAP-QWHCGFSZSA-N 2 0 263.341 -0.085 20 0 CBADRP COC(=O)[C@@H]1CN(c2cc(C)[nH+]c(N)n2)CC[N@H+](C)C1 ZINC000840359752 583164310 /nfs/dbraw/zinc/16/43/10/583164310.db2.gz JQXLZDWZPZIRPQ-JTQLQIEISA-N 2 0 279.344 -0.092 20 0 CBADRP C[C@@H]1CN(C(=S)NCC[NH+](C)C)C[C@H](C)[N@H+]1CCO ZINC000840805553 583167944 /nfs/dbraw/zinc/16/79/44/583167944.db2.gz RNAWWASJCNVIOD-TXEJJXNPSA-N 2 0 288.461 -0.191 20 0 CBADRP C[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH2+]1 ZINC000841790810 583174386 /nfs/dbraw/zinc/17/43/86/583174386.db2.gz KLELBMHZCDBKRP-RWMBFGLXSA-N 2 0 282.388 -0.147 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000841851821 583175202 /nfs/dbraw/zinc/17/52/02/583175202.db2.gz PPPBNDLUYCFIBA-UTUOFQBUSA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000842015194 583177794 /nfs/dbraw/zinc/17/77/94/583177794.db2.gz HOEDOAXLLQGMFR-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCCCC1 ZINC000842016916 583178008 /nfs/dbraw/zinc/17/80/08/583178008.db2.gz ZNZLGMSLSUUCQB-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000842016012 583178035 /nfs/dbraw/zinc/17/80/35/583178035.db2.gz QJPBRJLJKXQPBY-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[NH+]1CCCCC1 ZINC000842016071 583178097 /nfs/dbraw/zinc/17/80/97/583178097.db2.gz RIYVMLNJDGKQTI-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[NH+]1CCCCC1 ZINC000842015838 583178179 /nfs/dbraw/zinc/17/81/79/583178179.db2.gz ONBSZXGPHHFXFX-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCCCC1 ZINC000842016919 583178268 /nfs/dbraw/zinc/17/82/68/583178268.db2.gz ZNZLGMSLSUUCQB-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000842097796 583179236 /nfs/dbraw/zinc/17/92/36/583179236.db2.gz NRZATDYCVAHVHY-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000842260944 583182402 /nfs/dbraw/zinc/18/24/02/583182402.db2.gz XEAAMRGSJVRXLW-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842512200 583184662 /nfs/dbraw/zinc/18/46/62/583184662.db2.gz IGFJMCHTQALCKA-YPMHNXCESA-N 2 0 253.346 -0.281 20 0 CBADRP Cc1ccc([C@@H](O)C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)o1 ZINC000843086362 583201174 /nfs/dbraw/zinc/20/11/74/583201174.db2.gz IKPVWIIYXTWFRN-KGLIPLIRSA-N 2 0 297.399 -0.181 20 0 CBADRP [NH3+]CCCCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000843262772 583205477 /nfs/dbraw/zinc/20/54/77/583205477.db2.gz SXPFUXTXJOSVSY-LBPRGKRZSA-N 2 0 296.415 -0.025 20 0 CBADRP [NH3+]CCCCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000843262771 583205500 /nfs/dbraw/zinc/20/55/00/583205500.db2.gz SXPFUXTXJOSVSY-GFCCVEGCSA-N 2 0 296.415 -0.025 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)NCC1CC[NH2+]CC1 ZINC000843304620 583207424 /nfs/dbraw/zinc/20/74/24/583207424.db2.gz NJEAEMXVTGCRSX-LBPRGKRZSA-N 2 0 255.362 -0.129 20 0 CBADRP [NH3+]CCc1ccc(CNC(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000843327357 583209055 /nfs/dbraw/zinc/20/90/55/583209055.db2.gz HDIJRZGNPMQRSV-ZDUSSCGKSA-N 2 0 263.341 -0.208 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843355313 583212105 /nfs/dbraw/zinc/21/21/05/583212105.db2.gz QULHKOVWGFIWBC-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CCN1C(=O)CNC1=O ZINC000843361016 583212685 /nfs/dbraw/zinc/21/26/85/583212685.db2.gz QGZLDUJUSJANCB-FGWVZKOKSA-N 2 0 266.345 -0.118 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CCCCC[NH3+] ZINC000843479369 583225862 /nfs/dbraw/zinc/22/58/62/583225862.db2.gz SEBHCAWDJGPFIR-NSHDSACASA-N 2 0 271.361 -0.131 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)C(F)F ZINC000843483141 583226792 /nfs/dbraw/zinc/22/67/92/583226792.db2.gz DQFVTRGPMHGYAV-RKDXNWHRSA-N 2 0 265.304 -0.146 20 0 CBADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000843484589 583226797 /nfs/dbraw/zinc/22/67/97/583226797.db2.gz KNVLVDDGTQZEQK-JOYOIKCWSA-N 2 0 275.356 -0.121 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)NCC[N@@H+]1CCCOCC1 ZINC000843495750 583229160 /nfs/dbraw/zinc/22/91/60/583229160.db2.gz QHTOVCSNPQRTMU-CYBMUJFWSA-N 2 0 285.388 -0.407 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000843504884 583231874 /nfs/dbraw/zinc/23/18/74/583231874.db2.gz CXVYXOXOAGBSLJ-YUMQZZPRSA-N 2 0 251.334 -0.089 20 0 CBADRP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1C[NH2+]CCO1 ZINC000844171759 583256335 /nfs/dbraw/zinc/25/63/35/583256335.db2.gz SDSXLUZIQVFASP-KGLIPLIRSA-N 2 0 297.399 -0.266 20 0 CBADRP C[NH+](C)C1(CNC(=O)CO[C@@H]2CCC[NH2+]C2)CCOCC1 ZINC000844184636 583258964 /nfs/dbraw/zinc/25/89/64/583258964.db2.gz ULQNITXJUHRMBQ-CYBMUJFWSA-N 2 0 299.415 -0.018 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844182473 583258984 /nfs/dbraw/zinc/25/89/84/583258984.db2.gz GFYFADISQGTBBR-OLZOCXBDSA-N 2 0 285.388 -0.408 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844185003 583259304 /nfs/dbraw/zinc/25/93/04/583259304.db2.gz BVWMBLROPBIFQK-ZDUSSCGKSA-N 2 0 287.404 -0.161 20 0 CBADRP CC[NH2+]CC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000844190824 583259841 /nfs/dbraw/zinc/25/98/41/583259841.db2.gz BLPSRSYASWSMNN-ZDUSSCGKSA-N 2 0 270.421 -0.014 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844191537 583259913 /nfs/dbraw/zinc/25/99/13/583259913.db2.gz WVSCXUIRGLOELE-UONOGXRCSA-N 2 0 298.431 -0.493 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844192252 583259986 /nfs/dbraw/zinc/25/99/86/583259986.db2.gz WFTWBQWMKHJPQQ-CHWSQXEVSA-N 2 0 284.404 -0.883 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844192253 583260111 /nfs/dbraw/zinc/26/01/11/583260111.db2.gz WFTWBQWMKHJPQQ-OLZOCXBDSA-N 2 0 284.404 -0.883 20 0 CBADRP C[C@@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000844190154 583260121 /nfs/dbraw/zinc/26/01/21/583260121.db2.gz CORSZMOXZANJIV-KBPBESRZSA-N 2 0 298.431 -0.493 20 0 CBADRP COC[C@H]1C[C@@H](O)CN1C[C@@H](O)C[NH+]1CCCC1 ZINC000844401251 583269700 /nfs/dbraw/zinc/26/97/00/583269700.db2.gz HYKHQPVSUVACDU-UPJWGTAASA-N 2 0 258.362 -0.475 20 0 CBADRP CN(C)C(=O)[C@@H]1C[N@H+](CCCCCC[NH3+])CCN1 ZINC000846220307 583355993 /nfs/dbraw/zinc/35/59/93/583355993.db2.gz FLKNDXFHEWJVAT-LBPRGKRZSA-N 2 0 256.394 -0.133 20 0 CBADRP O=C(N1CC[C@@]2(C1)CCC[NH2+]C2)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846679107 583383244 /nfs/dbraw/zinc/38/32/44/583383244.db2.gz AQKXERXABNYLTK-QEJZJMRPSA-N 2 0 279.384 -0.176 20 0 CBADRP CCO[C@@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000846694085 583383817 /nfs/dbraw/zinc/38/38/17/583383817.db2.gz MHKQXKZCDRWUMK-JHJVBQTASA-N 2 0 285.388 -0.423 20 0 CBADRP [NH3+]CC1(CCNC(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000846692157 583383940 /nfs/dbraw/zinc/38/39/40/583383940.db2.gz QDRDWOKCHPVMRN-UHFFFAOYSA-N 2 0 263.345 -0.086 20 0 CBADRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000846716616 583386105 /nfs/dbraw/zinc/38/61/05/583386105.db2.gz DFCVWIHDOANTRO-RYUDHWBXSA-N 2 0 256.394 -0.134 20 0 CBADRP CN1CCC[NH+]=C1NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000849000232 583465915 /nfs/dbraw/zinc/46/59/15/583465915.db2.gz KGRBVHBCZDWWQI-GFCCVEGCSA-N 2 0 281.404 -0.145 20 0 CBADRP COC[C@@H](C)NC(=[NH2+])NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000849000517 583466347 /nfs/dbraw/zinc/46/63/47/583466347.db2.gz YWNMZYPRHUJWMW-NEPJUHHUSA-N 2 0 299.419 -0.277 20 0 CBADRP COC[C@H](C)NC(=[NH2+])NC[C@@H]1C[N@H+](C)CCN1C ZINC000849008024 583467272 /nfs/dbraw/zinc/46/72/72/583467272.db2.gz MACVIOVGMKKKBJ-WDEREUQCSA-N 2 0 257.382 -0.619 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cn(C)nn1 ZINC000849017443 583468493 /nfs/dbraw/zinc/46/84/93/583468493.db2.gz HMNKRGUFZKRUHS-NSHDSACASA-N 2 0 265.365 -0.087 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cn(C)nn1 ZINC000849017442 583468665 /nfs/dbraw/zinc/46/86/65/583468665.db2.gz HMNKRGUFZKRUHS-LLVKDONJSA-N 2 0 265.365 -0.087 20 0 CBADRP C[NH+]1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000849133376 583472167 /nfs/dbraw/zinc/47/21/67/583472167.db2.gz UIYHOFPBVDUSKC-GFCCVEGCSA-N 2 0 264.377 -0.050 20 0 CBADRP CN(CCC[NH3+])Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000849133273 583472254 /nfs/dbraw/zinc/47/22/54/583472254.db2.gz LIOVWQZIBSFASJ-NSHDSACASA-N 2 0 252.366 -0.017 20 0 CBADRP [NH3+]CCc1ccc(CNC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000851632189 583517235 /nfs/dbraw/zinc/51/72/35/583517235.db2.gz IWKGTPBTHARRGG-UHFFFAOYSA-N 2 0 288.355 -0.332 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@H]1CC[NH2+]C1 ZINC000851655927 583517963 /nfs/dbraw/zinc/51/79/63/583517963.db2.gz CRAMTENYEWFRCZ-SRVKXCTJSA-N 2 0 268.361 -0.489 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000851657141 583518170 /nfs/dbraw/zinc/51/81/70/583518170.db2.gz VJHOURZQFBZDAG-SBEAFCBVSA-N 2 0 294.399 -0.018 20 0 CBADRP CN(CCC[NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000851657290 583518222 /nfs/dbraw/zinc/51/82/22/583518222.db2.gz WOQGUCJMNWNSRM-NWDGAFQWSA-N 2 0 270.377 -0.160 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000851668164 583519656 /nfs/dbraw/zinc/51/96/56/583519656.db2.gz RYOOYVPOSAXODH-YUMQZZPRSA-N 2 0 250.293 -0.109 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)C(C)C ZINC000851690221 583522125 /nfs/dbraw/zinc/52/21/25/583522125.db2.gz BVUCYDSRTOCPNZ-UHFFFAOYSA-N 2 0 296.415 -0.299 20 0 CBADRP O=C(CC[N@@H+]1CCC2=C(CCC(=O)N2)C1)N1CC[NH2+]CC1 ZINC000852754053 583551879 /nfs/dbraw/zinc/55/18/79/583551879.db2.gz NMRBOYCFCUUDDR-UHFFFAOYSA-N 2 0 292.383 -0.322 20 0 CBADRP O=C(C=C1CC[NH2+]CC1)NCCN1CC[NH2+]CC1 ZINC000852793104 583552747 /nfs/dbraw/zinc/55/27/47/583552747.db2.gz PQMHOLNJOGJAFH-UHFFFAOYSA-N 2 0 252.362 -0.682 20 0 CBADRP COc1ccccc1[C@H]([NH3+])CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852791746 583552768 /nfs/dbraw/zinc/55/27/68/583552768.db2.gz LQJLIELXIDEJLQ-GXSJLCMTSA-N 2 0 292.339 -0.085 20 0 CBADRP C[NH2+]CC1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852796011 583552923 /nfs/dbraw/zinc/55/29/23/583552923.db2.gz OMLLXXCRFNCJGQ-JTQLQIEISA-N 2 0 254.334 -0.452 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000852798095 583553295 /nfs/dbraw/zinc/55/32/95/583553295.db2.gz GASHCVJXDJGDIC-XQQFMLRXSA-N 2 0 285.388 -0.282 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC000852824862 583556483 /nfs/dbraw/zinc/55/64/83/583556483.db2.gz GVBIUIDDYYQPNQ-WDEREUQCSA-N 2 0 255.362 -0.146 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2[NH2+]CC23CCOCC3)C1 ZINC000852825030 583556556 /nfs/dbraw/zinc/55/65/56/583556556.db2.gz ILDVAGJHOJZTON-VXGBXAGGSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1[NH2+]CC12CCOCC2 ZINC000852824772 583556574 /nfs/dbraw/zinc/55/65/74/583556574.db2.gz BHVPKGTWDKGHAZ-QWRGUYRKSA-N 2 0 253.346 -0.377 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)[C@H]1[NH2+]CC12CCOCC2 ZINC000852825569 583556991 /nfs/dbraw/zinc/55/69/91/583556991.db2.gz RXXUIKBDSXUWOX-GHMZBOCLSA-N 2 0 253.346 -0.377 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)CC[NH2+]1 ZINC000852825081 583556995 /nfs/dbraw/zinc/55/69/95/583556995.db2.gz JLMJQCJGHGGSNS-MNOVXSKESA-N 2 0 253.346 -0.425 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852856288 583561465 /nfs/dbraw/zinc/56/14/65/583561465.db2.gz YBPBSOYJZBRNNP-NWDGAFQWSA-N 2 0 298.387 -0.437 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852858338 583561792 /nfs/dbraw/zinc/56/17/92/583561792.db2.gz YXKQLWZJTZQDAD-SNVBAGLBSA-N 2 0 254.334 -0.357 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)C1CC1 ZINC000852860372 583562530 /nfs/dbraw/zinc/56/25/30/583562530.db2.gz DBSFIXQWGFJVBR-GXSJLCMTSA-N 2 0 254.334 -0.454 20 0 CBADRP C[NH+]1CCC(CCNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852863311 583563157 /nfs/dbraw/zinc/56/31/57/583563157.db2.gz SZTLKCHIMSRQOT-LLVKDONJSA-N 2 0 268.361 -0.062 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852864138 583563709 /nfs/dbraw/zinc/56/37/09/583563709.db2.gz XHBQVCFUPJGIET-NXEZZACHSA-N 2 0 254.334 -0.452 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)=NO1 ZINC000852864322 583563768 /nfs/dbraw/zinc/56/37/68/583563768.db2.gz SAGGFTDLMNKIMD-VWYCJHECSA-N 2 0 282.344 -0.931 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C2=NO[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC000852868820 583564910 /nfs/dbraw/zinc/56/49/10/583564910.db2.gz VKXHEEYWWGLGEI-UTLUCORTSA-N 2 0 254.334 -0.311 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852872393 583565542 /nfs/dbraw/zinc/56/55/42/583565542.db2.gz FVBWRNMLGXEZJL-NEPJUHHUSA-N 2 0 297.403 -0.768 20 0 CBADRP C[C@@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)C[NH+]1CCN(C)CC1 ZINC000852873124 583565577 /nfs/dbraw/zinc/56/55/77/583565577.db2.gz PNFNGXIJWBWYBA-RYUDHWBXSA-N 2 0 297.403 -0.910 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)=NO1 ZINC000852872959 583565584 /nfs/dbraw/zinc/56/55/84/583565584.db2.gz UOWOZSWLOLCPIU-RYUDHWBXSA-N 2 0 296.371 -0.729 20 0 CBADRP C[C@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)C[NH+]1CCN(C)CC1 ZINC000852873126 583565657 /nfs/dbraw/zinc/56/56/57/583565657.db2.gz PNFNGXIJWBWYBA-VXGBXAGGSA-N 2 0 297.403 -0.910 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)=NO1 ZINC000852875938 583566184 /nfs/dbraw/zinc/56/61/84/583566184.db2.gz UCLAXHLHXXJKFK-SKDRFNHKSA-N 2 0 252.318 -0.698 20 0 CBADRP CC(C)[C@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000852879109 583566368 /nfs/dbraw/zinc/56/63/68/583566368.db2.gz QLWDCIQGVUZMJN-MWLCHTKSSA-N 2 0 254.334 -0.454 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000852878157 583566428 /nfs/dbraw/zinc/56/64/28/583566428.db2.gz MECZOFPRAHWTCK-MBNYWOFBSA-N 2 0 267.373 -0.048 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852881228 583566796 /nfs/dbraw/zinc/56/67/96/583566796.db2.gz SZWCXSIZIJMRMY-CDLYGTGVSA-N 2 0 254.334 -0.407 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852881231 583566868 /nfs/dbraw/zinc/56/68/68/583566868.db2.gz SZWCXSIZIJMRMY-TURQNECASA-N 2 0 254.334 -0.407 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)=NO1 ZINC000852881994 583567002 /nfs/dbraw/zinc/56/70/02/583567002.db2.gz VBJBOAHPOUAYIP-GUBZILKMSA-N 2 0 252.318 -0.700 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CC23CC[NH2+]CC3)=NO1 ZINC000852881723 583567036 /nfs/dbraw/zinc/56/70/36/583567036.db2.gz OLXMTQQSJFDKHG-WCBMZHEXSA-N 2 0 252.318 -0.652 20 0 CBADRP [NH3+]CC[C@H]1CCCCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852881687 583567084 /nfs/dbraw/zinc/56/70/84/583567084.db2.gz ZOOQMARDQBJXJB-NXEZZACHSA-N 2 0 254.334 -0.180 20 0 CBADRP [NH3+]CC[C@H]1CCCCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852881690 583567158 /nfs/dbraw/zinc/56/71/58/583567158.db2.gz ZOOQMARDQBJXJB-ZJUUUORDSA-N 2 0 254.334 -0.180 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852886354 583568657 /nfs/dbraw/zinc/56/86/57/583568657.db2.gz KHRMBSVUZPLXKW-SNVBAGLBSA-N 2 0 256.350 -0.110 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852886196 583568671 /nfs/dbraw/zinc/56/86/71/583568671.db2.gz ZAWLOKFPEBJKQE-JTQLQIEISA-N 2 0 272.349 -0.873 20 0 CBADRP C[NH+](C)C[C@@H]1CCCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852886177 583568679 /nfs/dbraw/zinc/56/86/79/583568679.db2.gz YTYPYVJCMWWFSE-VHSXEESVSA-N 2 0 254.334 -0.357 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)=NO1 ZINC000852892318 583570227 /nfs/dbraw/zinc/57/02/27/583570227.db2.gz DKRFBTXVDOKPEH-NXEZZACHSA-N 2 0 266.345 -0.119 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852893996 583570969 /nfs/dbraw/zinc/57/09/69/583570969.db2.gz LOPFYZSPMPAWII-NSHDSACASA-N 2 0 268.361 -0.110 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C=C1CC[NH2+]CC1 ZINC000852907012 583573239 /nfs/dbraw/zinc/57/32/39/583573239.db2.gz BDEWWBFYWFMHGK-UHFFFAOYSA-N 2 0 296.415 -0.225 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852914576 583574085 /nfs/dbraw/zinc/57/40/85/583574085.db2.gz BVSGMPWJFRSGOR-UWVGGRQHSA-N 2 0 254.334 -0.310 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000857102649 583664466 /nfs/dbraw/zinc/66/44/66/583664466.db2.gz ITNAMNFNJNQMGO-QJPTWQEYSA-N 2 0 270.377 -0.114 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000857102650 583664477 /nfs/dbraw/zinc/66/44/77/583664477.db2.gz ITNAMNFNJNQMGO-SDDRHHMPSA-N 2 0 270.377 -0.114 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)NCCCN1CC[NH2+]CC1 ZINC000857104346 583664652 /nfs/dbraw/zinc/66/46/52/583664652.db2.gz QTRDPUUTALKQOG-NSHDSACASA-N 2 0 257.382 -0.682 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000857110296 583665509 /nfs/dbraw/zinc/66/55/09/583665509.db2.gz ROFCAQCDCVRHCT-RYUDHWBXSA-N 2 0 272.393 -0.130 20 0 CBADRP Nc1nc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)nc(N)[nH+]1 ZINC000858374638 583693422 /nfs/dbraw/zinc/69/34/22/583693422.db2.gz RFFWTAAPDJWTTI-YUMQZZPRSA-N 2 0 265.321 -0.689 20 0 CBADRP CCN(CC[NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000861572685 583771063 /nfs/dbraw/zinc/77/10/63/583771063.db2.gz WOSYGROAOWBZCK-RYUDHWBXSA-N 2 0 270.377 -0.160 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000861644897 583774943 /nfs/dbraw/zinc/77/49/43/583774943.db2.gz BCNJDSOEZRGAKC-SFYZADRCSA-N 2 0 250.293 -0.028 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000861645792 583775260 /nfs/dbraw/zinc/77/52/60/583775260.db2.gz JJIJWBOXTVBILP-SNVBAGLBSA-N 2 0 294.346 -0.139 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000861646224 583775302 /nfs/dbraw/zinc/77/53/02/583775302.db2.gz OVZIBFULXBRJAZ-SECBINFHSA-N 2 0 280.319 -0.400 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861744211 583783291 /nfs/dbraw/zinc/78/32/91/583783291.db2.gz USKBGKQPECFBSC-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000861744721 583783352 /nfs/dbraw/zinc/78/33/52/583783352.db2.gz ODCRIKAPOCVNPL-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000861753206 583784271 /nfs/dbraw/zinc/78/42/71/583784271.db2.gz VEGTXKJRNMVEOT-HBNTYKKESA-N 2 0 282.388 -0.467 20 0 CBADRP Cc1nccn1CCCCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861754987 583784577 /nfs/dbraw/zinc/78/45/77/583784577.db2.gz RGOAWEYAVOEJOJ-NSHDSACASA-N 2 0 295.387 -0.106 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1cccnc1N(C)C ZINC000861756312 583784614 /nfs/dbraw/zinc/78/46/14/583784614.db2.gz XCFMMWQEZOYDGT-JTQLQIEISA-N 2 0 293.371 -0.431 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N(C)C[C@H](C)[NH3+])C1CC1 ZINC000861760080 583784807 /nfs/dbraw/zinc/78/48/07/583784807.db2.gz SUKJWDABDBGMMR-JTQLQIEISA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000861763220 583785120 /nfs/dbraw/zinc/78/51/20/583785120.db2.gz MGEKIAYFUYGOKH-UWVGGRQHSA-N 2 0 270.377 -0.609 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000861786717 583786638 /nfs/dbraw/zinc/78/66/38/583786638.db2.gz OSRARINWWITZBA-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCOCC[NH2+]C ZINC000863543890 583845847 /nfs/dbraw/zinc/84/58/47/583845847.db2.gz FREJPFDADYDECB-QWRGUYRKSA-N 2 0 259.350 -0.894 20 0 CBADRP Cn1ncc(CCC[NH2+]C[C@@H](O)C[NH+]2CCCC2)n1 ZINC000863557890 583846748 /nfs/dbraw/zinc/84/67/48/583846748.db2.gz SBNLKTQIVKREAL-CYBMUJFWSA-N 2 0 267.377 -0.206 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN(C)C[C@@H](C)[NH3+])CC1 ZINC000863568335 583847156 /nfs/dbraw/zinc/84/71/56/583847156.db2.gz KAWVGLTXPOOWND-LLVKDONJSA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000863750303 583852312 /nfs/dbraw/zinc/85/23/12/583852312.db2.gz LYIWVEWCSJYQKN-NWDGAFQWSA-N 2 0 284.404 -0.408 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000863749887 583852327 /nfs/dbraw/zinc/85/23/27/583852327.db2.gz DYGHQFKCLRVPNJ-QWHCGFSZSA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000863750305 583852422 /nfs/dbraw/zinc/85/24/22/583852422.db2.gz LYIWVEWCSJYQKN-VXGBXAGGSA-N 2 0 284.404 -0.408 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000863752393 583852780 /nfs/dbraw/zinc/85/27/80/583852780.db2.gz DLOWPLWOFBLQCE-QWHCGFSZSA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000863755360 583853159 /nfs/dbraw/zinc/85/31/59/583853159.db2.gz NKDRPLBHQJJLHB-LLVKDONJSA-N 2 0 284.404 -0.408 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000863763856 583854770 /nfs/dbraw/zinc/85/47/70/583854770.db2.gz KSAINMVXEQAKLO-NWDGAFQWSA-N 2 0 284.404 -0.408 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863767490 583855259 /nfs/dbraw/zinc/85/52/59/583855259.db2.gz QKYLSDTXRNSOQR-XQQFMLRXSA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000863767099 583855268 /nfs/dbraw/zinc/85/52/68/583855268.db2.gz JMGSOSICHOVFAJ-JTQLQIEISA-N 2 0 270.377 -0.655 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000863769080 583855466 /nfs/dbraw/zinc/85/54/66/583855466.db2.gz JBVMOYFVDVWIQH-NWDGAFQWSA-N 2 0 284.404 -0.267 20 0 CBADRP C[NH+](C)CCn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000864624280 583885243 /nfs/dbraw/zinc/88/52/43/583885243.db2.gz XBSSHRPZFVTXIU-UHFFFAOYSA-N 2 0 252.366 -0.713 20 0 CBADRP C[NH+](C)CCNC(=S)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000865242918 583901173 /nfs/dbraw/zinc/90/11/73/583901173.db2.gz HTKKQTGURALFAP-NSHDSACASA-N 2 0 288.461 -0.143 20 0 CBADRP CC[NH+]1CCC([NH2+]C[C@]23COCCN2C(=O)COC3)CC1 ZINC000866557127 583924216 /nfs/dbraw/zinc/92/42/16/583924216.db2.gz YUJAYUADEVJUHA-OAHLLOKOSA-N 2 0 297.399 -0.312 20 0 CBADRP Cn1nnnc1CC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000866666628 583926523 /nfs/dbraw/zinc/92/65/23/583926523.db2.gz VOXULKGUZDBEBX-UHFFFAOYSA-N 2 0 250.350 -0.172 20 0 CBADRP CN1C(=O)[C@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)C[C@H]2C1=O ZINC000866701690 583927705 /nfs/dbraw/zinc/92/77/05/583927705.db2.gz MQCXXRDHPASIND-GARJFASQSA-N 2 0 251.330 -0.467 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC000866714394 583928358 /nfs/dbraw/zinc/92/83/58/583928358.db2.gz NTHCLWFHBBUMGI-RWMBFGLXSA-N 2 0 291.355 -0.250 20 0 CBADRP O=C1NCCO[C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)[C@@H]12 ZINC000866717461 583928640 /nfs/dbraw/zinc/92/86/40/583928640.db2.gz GFDSAXLPKUVQQE-CHWSQXEVSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(CCN1CCC[C@H]2[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC000866724099 583928917 /nfs/dbraw/zinc/92/89/17/583928917.db2.gz IDEKSZGVRQAQCM-CHWSQXEVSA-N 2 0 266.389 -0.365 20 0 CBADRP CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000866739590 583929995 /nfs/dbraw/zinc/92/99/95/583929995.db2.gz GSFFNUFNTVZKAR-NEPJUHHUSA-N 2 0 293.433 -0.342 20 0 CBADRP C[NH2+]CCN(C)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000866759934 583930829 /nfs/dbraw/zinc/93/08/29/583930829.db2.gz KFYSLFAUXGYPTG-UHFFFAOYSA-N 2 0 264.395 -0.934 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000867743682 583962041 /nfs/dbraw/zinc/96/20/41/583962041.db2.gz GMDSEDAWGHNGRZ-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP COCCC1(NC(=O)C[C@@H]2COCC[NH2+]2)CC[NH2+]CC1 ZINC000868043151 583969933 /nfs/dbraw/zinc/96/99/33/583969933.db2.gz BGHXYAKUPHRPSB-GFCCVEGCSA-N 2 0 285.388 -0.360 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C[NH3+])C3)CC[C@@H]21 ZINC000868388587 583976836 /nfs/dbraw/zinc/97/68/36/583976836.db2.gz XVPRHDTUYGFABK-UPJWGTAASA-N 2 0 294.399 -0.654 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868388400 583976907 /nfs/dbraw/zinc/97/69/07/583976907.db2.gz SZXDDSJLMHUIMT-XQQFMLRXSA-N 2 0 294.399 -0.641 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868390624 583977049 /nfs/dbraw/zinc/97/70/49/583977049.db2.gz NWIBLFYAZFOZNM-VXGBXAGGSA-N 2 0 282.388 -0.783 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868390991 583977130 /nfs/dbraw/zinc/97/71/30/583977130.db2.gz RLNWYNRRZCWTOR-GRYCIOLGSA-N 2 0 282.388 -0.655 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000868391855 583977141 /nfs/dbraw/zinc/97/71/41/583977141.db2.gz YLVFDJAJSWEQSB-UHFFFAOYSA-N 2 0 296.415 -0.262 20 0 CBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N(C)CC[NH2+]C)CC1 ZINC000868405234 583977841 /nfs/dbraw/zinc/97/78/41/583977841.db2.gz OESQOHIUZPGHJY-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000869777563 584004026 /nfs/dbraw/zinc/00/40/26/584004026.db2.gz QITWVELIRUMFAC-RYUDHWBXSA-N 2 0 269.389 -0.101 20 0 CBADRP O=C(CC[NH2+]CC1CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000870914212 584021284 /nfs/dbraw/zinc/02/12/84/584021284.db2.gz LIBFFHGWVUZBKK-AWEZNQCLSA-N 2 0 280.416 -0.118 20 0 CBADRP CN1CCN(C(=O)CCC23CC(C2)C[NH2+]3)[C@@H](C[NH3+])C1 ZINC000870938023 584022018 /nfs/dbraw/zinc/02/20/18/584022018.db2.gz DQXDVGMVLKHBJO-LXVYMNJGSA-N 2 0 266.389 -0.380 20 0 CBADRP CN1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H](C[NH3+])C1 ZINC000870938874 584022270 /nfs/dbraw/zinc/02/22/70/584022270.db2.gz VQJYVTOIMHROAT-SRVKXCTJSA-N 2 0 254.378 -0.395 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CCO1 ZINC000870938746 584022315 /nfs/dbraw/zinc/02/23/15/584022315.db2.gz VCSOVRNQPVMUBA-HMUNZLOLSA-N 2 0 253.346 -0.312 20 0 CBADRP CN1CCN(C(=O)CC[NH2+]CC2CC2)[C@@H](C[NH3+])C1 ZINC000870938914 584022323 /nfs/dbraw/zinc/02/23/23/584022323.db2.gz WHGLBWNZJQOXTO-LBPRGKRZSA-N 2 0 254.378 -0.523 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870980908 584023799 /nfs/dbraw/zinc/02/37/99/584023799.db2.gz DSHGDHRCOLVZLF-VXGBXAGGSA-N 2 0 255.362 -0.225 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CCO3)CC[C@@H]21 ZINC000870980631 584023907 /nfs/dbraw/zinc/02/39/07/584023907.db2.gz AAHUJWKTDVPIIU-GRYCIOLGSA-N 2 0 253.346 -0.473 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3C[NH2+]CCO3)CC[C@H]21 ZINC000870981245 584024022 /nfs/dbraw/zinc/02/40/22/584024022.db2.gz GTMYURWLSKUALF-JHJVBQTASA-N 2 0 267.373 -0.083 20 0 CBADRP C[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000870986080 584024397 /nfs/dbraw/zinc/02/43/97/584024397.db2.gz DWHFBDFEWSDMMA-CMPLNLGQSA-N 2 0 255.362 -0.131 20 0 CBADRP CN1CCN(C(=O)[C@H]2C[NH2+]CCO2)Cc2cccnc21 ZINC000871019947 584025091 /nfs/dbraw/zinc/02/50/91/584025091.db2.gz HLGMBQHWVLTCPH-GFCCVEGCSA-N 2 0 276.340 -0.152 20 0 CBADRP [NH3+]CCN(CCO)C[C@H]1CC2(CO1)CCOCC2 ZINC000872143298 584047862 /nfs/dbraw/zinc/04/78/62/584047862.db2.gz KUWBDULZGHMUEL-GFCCVEGCSA-N 2 0 258.362 -0.175 20 0 CBADRP Cn1nnnc1C1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000872146123 584047909 /nfs/dbraw/zinc/04/79/09/584047909.db2.gz GGVMSWYYKSYQOQ-NSHDSACASA-N 2 0 266.349 -0.622 20 0 CBADRP Cn1nnnc1C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000872146873 584048265 /nfs/dbraw/zinc/04/82/65/584048265.db2.gz ZNMQEEGRMYXEEQ-SNVBAGLBSA-N 2 0 250.350 -0.001 20 0 CBADRP CN1CCN(C(=O)CC[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872154194 584048301 /nfs/dbraw/zinc/04/83/01/584048301.db2.gz RKDRWZFFEMILCT-DZGCQCFKSA-N 2 0 280.416 -0.308 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872200985 584050059 /nfs/dbraw/zinc/05/00/59/584050059.db2.gz QIQFLCJFSGMOEC-OLZOCXBDSA-N 2 0 273.421 -0.266 20 0 CBADRP C[N@H+](C[C@@H](O)CN[C@H]1CC[NH+](CC(C)(C)O)C1)C1CC1 ZINC000872217632 584050834 /nfs/dbraw/zinc/05/08/34/584050834.db2.gz BKZKVKBDGDALOD-JSGCOSHPSA-N 2 0 285.432 -0.124 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000872219204 584051051 /nfs/dbraw/zinc/05/10/51/584051051.db2.gz DHSJISOJIYBHSV-RCZWDNKTSA-N 2 0 295.427 -0.392 20 0 CBADRP COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000872230310 584051709 /nfs/dbraw/zinc/05/17/09/584051709.db2.gz XMHJPJFBTXGVTC-FRRDWIJNSA-N 2 0 286.372 -0.389 20 0 CBADRP CC(C)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)CS(N)(=O)=O ZINC000872234082 584052034 /nfs/dbraw/zinc/05/20/34/584052034.db2.gz JWHNRAUUXQKVGQ-LLVKDONJSA-N 2 0 293.433 -0.653 20 0 CBADRP CC[C@H](C[C@H](C)O)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000872243074 584052064 /nfs/dbraw/zinc/05/20/64/584052064.db2.gz RCLPTLASGPNGKE-BFHYXJOUSA-N 2 0 273.421 -0.266 20 0 CBADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000872256030 584052268 /nfs/dbraw/zinc/05/22/68/584052268.db2.gz KIDJCHLKRUZFLX-QWHCGFSZSA-N 2 0 268.405 -0.085 20 0 CBADRP [NH3+]CC1(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000872257864 584052411 /nfs/dbraw/zinc/05/24/11/584052411.db2.gz ZPJRGDOKAQWAOK-TUAOUCFPSA-N 3 0 280.372 -0.408 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C[NH2+]CCO1 ZINC000872276926 584053050 /nfs/dbraw/zinc/05/30/50/584053050.db2.gz UONUZOZBQVAPDY-DOMZBBRYSA-N 2 0 299.415 -0.114 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C[NH2+]CCO1 ZINC000872276927 584053084 /nfs/dbraw/zinc/05/30/84/584053084.db2.gz UONUZOZBQVAPDY-IUODEOHRSA-N 2 0 299.415 -0.114 20 0 CBADRP CC1(C)CC[NH2+]CCN1C(=O)CN1CC[NH2+]CC1 ZINC000872301395 584055063 /nfs/dbraw/zinc/05/50/63/584055063.db2.gz UKUABVPQIDMBBM-UHFFFAOYSA-N 2 0 254.378 -0.508 20 0 CBADRP Nc1cnc(C[NH2+]CCCN2CC[NH2+]CC2)cn1 ZINC000873210406 584068806 /nfs/dbraw/zinc/06/88/06/584068806.db2.gz FFWFFPIXAGFRCJ-UHFFFAOYSA-N 2 0 250.350 -0.556 20 0 CBADRP Nc1cnc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cn1 ZINC000873210260 584068895 /nfs/dbraw/zinc/06/88/95/584068895.db2.gz AIHUIHFTVDGHPI-LBPRGKRZSA-N 2 0 262.361 -0.462 20 0 CBADRP C[C@@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)C1CC[NH2+]CC1 ZINC000873221949 584069009 /nfs/dbraw/zinc/06/90/09/584069009.db2.gz UXNCXEGXTJMUMM-SNVBAGLBSA-N 2 0 280.372 -0.438 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000873265981 584069538 /nfs/dbraw/zinc/06/95/38/584069538.db2.gz KVWAYZGOGVLGFS-GMXVVIOVSA-N 2 0 271.361 -0.670 20 0 CBADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000873266781 584069723 /nfs/dbraw/zinc/06/97/23/584069723.db2.gz QIKHZYWKWJSEJX-VNHYZAJKSA-N 2 0 297.399 -0.136 20 0 CBADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000873266778 584069928 /nfs/dbraw/zinc/06/99/28/584069928.db2.gz QIKHZYWKWJSEJX-IPYPFGDCSA-N 2 0 297.399 -0.136 20 0 CBADRP C[C@@H](CC(N)=O)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873289125 584070414 /nfs/dbraw/zinc/07/04/14/584070414.db2.gz FPBNVSJYRMIWOD-WDEREUQCSA-N 2 0 255.362 -0.001 20 0 CBADRP CC1(C)[C@H](C(=O)NCCCN2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000876503044 584129804 /nfs/dbraw/zinc/12/98/04/584129804.db2.gz XJEOTEDEXHXHBU-RYUDHWBXSA-N 2 0 268.405 -0.229 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000876507766 584130153 /nfs/dbraw/zinc/13/01/53/584130153.db2.gz MSSZJCFJCKZVDS-LBPRGKRZSA-N 2 0 254.378 -0.382 20 0 CBADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCCN1CC[NH2+]CC1 ZINC000876510598 584130295 /nfs/dbraw/zinc/13/02/95/584130295.db2.gz OLESWTXNLQHUAR-OOPCZODUSA-N 2 0 266.389 -0.436 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000876510816 584130296 /nfs/dbraw/zinc/13/02/96/584130296.db2.gz QBNJBVACHCQYFE-XCUNLHGCSA-N 2 0 266.389 -0.581 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000876510814 584130324 /nfs/dbraw/zinc/13/03/24/584130324.db2.gz QBNJBVACHCQYFE-LLGAQUFESA-N 2 0 266.389 -0.581 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H]2CCCC[NH2+]2)C[NH2+]CCO1 ZINC000876514887 584130621 /nfs/dbraw/zinc/13/06/21/584130621.db2.gz IZHAZLYZGAWLOS-AAEUAGOBSA-N 2 0 271.361 -0.750 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000876515318 584130653 /nfs/dbraw/zinc/13/06/53/584130653.db2.gz OOUQYVJMQLNLSB-JTQLQIEISA-N 2 0 251.334 -0.249 20 0 CBADRP COC[C@]1(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)C[NH2+]CCO1 ZINC000876516075 584130676 /nfs/dbraw/zinc/13/06/76/584130676.db2.gz KCKBTNQWMDGAGI-DYEKYZERSA-N 2 0 285.388 -0.504 20 0 CBADRP COC[C@]1(C(=O)NCCC[NH2+]C(C)C)C[NH2+]CCO1 ZINC000876523775 584130990 /nfs/dbraw/zinc/13/09/90/584130990.db2.gz DFCGQNGLIFEOBN-ZDUSSCGKSA-N 2 0 273.377 -0.504 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876525980 584131328 /nfs/dbraw/zinc/13/13/28/584131328.db2.gz OJCLBOQCDOWWKF-ZRUQZJFASA-N 2 0 280.416 -0.094 20 0 CBADRP C[C@@H]1CN(C(=O)c2c(C[NH3+])cnn2C)C[C@@H](C)[NH2+]1 ZINC000876531203 584131801 /nfs/dbraw/zinc/13/18/01/584131801.db2.gz YPQVGPKAKFEPIT-RKDXNWHRSA-N 2 0 251.334 -0.299 20 0 CBADRP C[C@@H]1CN(C(=O)c2c(C[NH3+])cnn2C)C[C@H](C)[NH2+]1 ZINC000876531201 584131823 /nfs/dbraw/zinc/13/18/23/584131823.db2.gz YPQVGPKAKFEPIT-DTORHVGOSA-N 2 0 251.334 -0.299 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000876532994 584131837 /nfs/dbraw/zinc/13/18/37/584131837.db2.gz NLOCHDMAZNQLIL-NWDGAFQWSA-N 2 0 256.394 -0.101 20 0 CBADRP CN1CCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000876542067 584132343 /nfs/dbraw/zinc/13/23/43/584132343.db2.gz LAMZSFPQDWFQBU-OUAUKWLOSA-N 2 0 258.341 -0.965 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)[C@H](C[NH3+])C1 ZINC000876542322 584132348 /nfs/dbraw/zinc/13/23/48/584132348.db2.gz NXRUHLOOTKARMA-OUAUKWLOSA-N 2 0 254.378 -0.539 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000876539584 584132365 /nfs/dbraw/zinc/13/23/65/584132365.db2.gz MNEJCEQHEDMBLX-ZDUSSCGKSA-N 2 0 273.377 -0.375 20 0 CBADRP COC[C@@]1(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)C[NH2+]CCO1 ZINC000876542100 584132399 /nfs/dbraw/zinc/13/23/99/584132399.db2.gz OOENBQVYGSSHRJ-TZMCWYRMSA-N 2 0 287.404 -0.177 20 0 CBADRP COC[C@@]1(C(=O)NCCC[NH+]2CCCCC2)C[NH2+]CCO1 ZINC000876713164 584140383 /nfs/dbraw/zinc/14/03/83/584140383.db2.gz XDLJHHMYSAHRIF-OAHLLOKOSA-N 2 0 299.415 -0.016 20 0 CBADRP COC[C@]1(C(=O)NCCC[NH+]2CCCCC2)C[NH2+]CCO1 ZINC000876713160 584140500 /nfs/dbraw/zinc/14/05/00/584140500.db2.gz XDLJHHMYSAHRIF-HNNXBMFYSA-N 2 0 299.415 -0.016 20 0 CBADRP COC[C@@]1(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)C[NH2+]CCO1 ZINC000876722629 584140686 /nfs/dbraw/zinc/14/06/86/584140686.db2.gz AJLXYBULVMRABT-DZGCQCFKSA-N 2 0 299.415 -0.018 20 0 CBADRP COC[C@@]1(C(=O)NCC[NH+]2CCC(C)CC2)C[NH2+]CCO1 ZINC000876722925 584140893 /nfs/dbraw/zinc/14/08/93/584140893.db2.gz IFGPTICVYQDMPG-OAHLLOKOSA-N 2 0 299.415 -0.161 20 0 CBADRP COC[C@]1(C(=O)N[C@H](C)C[NH+]2CCCCC2)C[NH2+]CCO1 ZINC000876723614 584141080 /nfs/dbraw/zinc/14/10/80/584141080.db2.gz GEKWTAJYDRDTQQ-HIFRSBDPSA-N 2 0 299.415 -0.018 20 0 CBADRP COC[C@@]1(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)C[NH2+]CCO1 ZINC000876723173 584141122 /nfs/dbraw/zinc/14/11/22/584141122.db2.gz ORPMLUUUWVUIDE-DZGCQCFKSA-N 2 0 299.415 -0.161 20 0 CBADRP COC[C@]1(C(=O)N2CC[NH+](CC3CC3)CC2)C[NH2+]CCO1 ZINC000876728368 584141279 /nfs/dbraw/zinc/14/12/79/584141279.db2.gz KBWYSQDLALTQDP-HNNXBMFYSA-N 2 0 297.399 -0.454 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[NH2+]CCO1 ZINC000876729553 584141303 /nfs/dbraw/zinc/14/13/03/584141303.db2.gz QOGQBKKKGJVWTF-NFAWXSAZSA-N 2 0 297.399 -0.266 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000876730424 584141331 /nfs/dbraw/zinc/14/13/31/584141331.db2.gz GELHDSFNSAZGTL-LLVKDONJSA-N 2 0 265.361 -0.051 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H](C2CC2)[NH+](C)C)C[NH2+]CCO1 ZINC000876731705 584141587 /nfs/dbraw/zinc/14/15/87/584141587.db2.gz SVSGEKKRWMUQOK-GXTWGEPZSA-N 2 0 285.388 -0.552 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)C[NH2+]CCO1 ZINC000876733788 584141649 /nfs/dbraw/zinc/14/16/49/584141649.db2.gz HRUWFLMWDXHMLY-DZGCQCFKSA-N 2 0 299.415 -0.162 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000876747223 584142035 /nfs/dbraw/zinc/14/20/35/584142035.db2.gz YMUQIAVHFUKIQS-CQSZACIVSA-N 2 0 287.404 -0.161 20 0 CBADRP CN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000876753383 584142325 /nfs/dbraw/zinc/14/23/25/584142325.db2.gz DXLJTXVXMUZNAN-NEPJUHHUSA-N 2 0 254.378 -0.430 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876749625 584142468 /nfs/dbraw/zinc/14/24/68/584142468.db2.gz BHXHRVIRPGQWEX-RYUDHWBXSA-N 2 0 272.393 -0.898 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000876771344 584143594 /nfs/dbraw/zinc/14/35/94/584143594.db2.gz QKUQXQDKNUDOPA-ZDUSSCGKSA-N 2 0 284.404 -0.802 20 0 CBADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)C[NH+](C)C)CC[N@@H+]1C ZINC000876772701 584143605 /nfs/dbraw/zinc/14/36/05/584143605.db2.gz RAOXUJABDSDGCN-WOPDTQHZSA-N 2 0 256.394 -0.184 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C[N@@H+]1C1CC1 ZINC000876779605 584144177 /nfs/dbraw/zinc/14/41/77/584144177.db2.gz AAYWCFINLRDBQS-FOGDFJRCSA-N 2 0 254.378 -0.383 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000876782290 584144201 /nfs/dbraw/zinc/14/42/01/584144201.db2.gz VOGJLQUESYMQLW-LSMGEYOZSA-N 2 0 280.416 -0.238 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@H](N)C[NH+](C)C)C[N@@H+]1C1CC1 ZINC000876779607 584144306 /nfs/dbraw/zinc/14/43/06/584144306.db2.gz AAYWCFINLRDBQS-SCVCMEIPSA-N 2 0 254.378 -0.383 20 0 CBADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CC[NH2+]CC1 ZINC000876784778 584144623 /nfs/dbraw/zinc/14/46/23/584144623.db2.gz PHQBWFYRTLUYCV-YHWZYXNKSA-N 2 0 266.389 -0.238 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000876795401 584145188 /nfs/dbraw/zinc/14/51/88/584145188.db2.gz PAPHDHFSZPNHAW-LBPRGKRZSA-N 2 0 266.345 -0.149 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)C[NH2+]CCO1 ZINC000876796374 584145231 /nfs/dbraw/zinc/14/52/31/584145231.db2.gz KPMWGATXUOQFOU-MDZLAQPJSA-N 2 0 271.361 -0.813 20 0 CBADRP COC[C@]1(C(=O)NC[C@]2(C)CCC[NH2+]C2)C[NH2+]CCO1 ZINC000876798027 584145486 /nfs/dbraw/zinc/14/54/86/584145486.db2.gz COBFGWJYSJBBED-KGLIPLIRSA-N 2 0 285.388 -0.503 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000876799607 584145524 /nfs/dbraw/zinc/14/55/24/584145524.db2.gz IHIPEHKBYDMRSL-BJDJZHNGSA-N 2 0 254.378 -0.539 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)CCO1 ZINC000876809245 584147259 /nfs/dbraw/zinc/14/72/59/584147259.db2.gz YDFXDJOOAVBBHK-LOWVWBTDSA-N 2 0 253.346 -0.295 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000876806872 584147275 /nfs/dbraw/zinc/14/72/75/584147275.db2.gz UTFXPAIHMUCZOZ-ZDUSSCGKSA-N 2 0 264.373 -0.137 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C[NH2+]CCO1 ZINC000876828675 584147765 /nfs/dbraw/zinc/14/77/65/584147765.db2.gz DWMPGIYEMADMAL-GVXVVHGQSA-N 2 0 271.361 -0.623 20 0 CBADRP COC[C@]1(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)C[NH2+]CCO1 ZINC000876827232 584147821 /nfs/dbraw/zinc/14/78/21/584147821.db2.gz METJOTVMABYRKA-OCCSQVGLSA-N 2 0 285.388 -0.552 20 0 CBADRP COC[C@@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[NH2+]CCO1 ZINC000876827623 584147844 /nfs/dbraw/zinc/14/78/44/584147844.db2.gz UVWDKNHGQPJSTM-MBNYWOFBSA-N 2 0 283.372 -0.656 20 0 CBADRP COC[C@@]1(C(=O)N2CC[C@](C)(C[NH3+])C2)C[NH2+]CCO1 ZINC000876839819 584148405 /nfs/dbraw/zinc/14/84/05/584148405.db2.gz AKEPBWLXQORROV-CHWSQXEVSA-N 2 0 271.361 -0.811 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)CN2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000876839020 584148472 /nfs/dbraw/zinc/14/84/72/584148472.db2.gz PPULYJWOTDJXAN-LSDHHAIUSA-N 2 0 288.395 -0.155 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876846945 584149135 /nfs/dbraw/zinc/14/91/35/584149135.db2.gz GOMJQYRAHJYNQH-GARJFASQSA-N 2 0 287.335 -0.703 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876846947 584149213 /nfs/dbraw/zinc/14/92/13/584149213.db2.gz GOMJQYRAHJYNQH-VWYCJHECSA-N 2 0 287.335 -0.703 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876847347 584149409 /nfs/dbraw/zinc/14/94/09/584149409.db2.gz IJHCDVFMFNMBPK-QLQVPFRHSA-N 2 0 295.383 -0.094 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876849839 584149706 /nfs/dbraw/zinc/14/97/06/584149706.db2.gz ZWTCAQQOTRVHMG-TUAOUCFPSA-N 2 0 283.372 -0.133 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000876850307 584149719 /nfs/dbraw/zinc/14/97/19/584149719.db2.gz NXAMNWVSESDKHS-YUMQZZPRSA-N 2 0 283.401 -0.214 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000876863405 584150723 /nfs/dbraw/zinc/15/07/23/584150723.db2.gz BOSDGCSNEDDYFA-ATZCPNFKSA-N 2 0 277.315 -0.133 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000876863410 584150742 /nfs/dbraw/zinc/15/07/42/584150742.db2.gz BOSDGCSNEDDYFA-QXEWZRGKSA-N 2 0 277.315 -0.133 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000876863408 584150759 /nfs/dbraw/zinc/15/07/59/584150759.db2.gz BOSDGCSNEDDYFA-NGZCFLSTSA-N 2 0 277.315 -0.133 20 0 CBADRP COC[C@]1(C(=O)NCCC[C@H]2CCC[NH2+]2)C[NH2+]CCO1 ZINC000876867395 584151270 /nfs/dbraw/zinc/15/12/70/584151270.db2.gz FOVIGGSXZNDMBI-OCCSQVGLSA-N 2 0 285.388 -0.360 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000876868452 584151281 /nfs/dbraw/zinc/15/12/81/584151281.db2.gz DEVUNDIKAJCRKX-AVGNSLFASA-N 2 0 268.405 -0.277 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000876868454 584151324 /nfs/dbraw/zinc/15/13/24/584151324.db2.gz DEVUNDIKAJCRKX-XQQFMLRXSA-N 2 0 268.405 -0.277 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000876871305 584151781 /nfs/dbraw/zinc/15/17/81/584151781.db2.gz UWOHEKVMHBHRSN-WZRBSPASSA-N 2 0 271.361 -0.765 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000876885256 584153344 /nfs/dbraw/zinc/15/33/44/584153344.db2.gz KNAFNLSOYJOJIO-RWMBFGLXSA-N 2 0 268.405 -0.182 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876890388 584153702 /nfs/dbraw/zinc/15/37/02/584153702.db2.gz XVKSYEWBBZZIIE-GHMZBOCLSA-N 2 0 261.341 -0.372 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000876913877 584154914 /nfs/dbraw/zinc/15/49/14/584154914.db2.gz VKVCJSGOZRIUTK-AVGNSLFASA-N 2 0 268.405 -0.134 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C[NH2+]CCO1 ZINC000876924412 584155925 /nfs/dbraw/zinc/15/59/25/584155925.db2.gz RTSDFNSERLNPGQ-KBPBESRZSA-N 2 0 283.372 -0.654 20 0 CBADRP COC[C@@]1(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C[NH2+]CCO1 ZINC000876924415 584155989 /nfs/dbraw/zinc/15/59/89/584155989.db2.gz RTSDFNSERLNPGQ-ZIAGYGMSSA-N 2 0 283.372 -0.654 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000876926955 584156213 /nfs/dbraw/zinc/15/62/13/584156213.db2.gz MHIIATQRTDIFTH-NXEZZACHSA-N 2 0 255.362 -0.328 20 0 CBADRP COC[C@]1(C(=O)N[C@@H](C)C[C@H](C)[NH3+])C[NH2+]CCO1 ZINC000876934951 584156722 /nfs/dbraw/zinc/15/67/22/584156722.db2.gz OWHPIVBZVVBBHZ-NHCYSSNCSA-N 2 0 259.350 -0.767 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000876934842 584156762 /nfs/dbraw/zinc/15/67/62/584156762.db2.gz JZGUZSURJFHWAN-MNOVXSKESA-N 2 0 254.378 -0.334 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000876947566 584157604 /nfs/dbraw/zinc/15/76/04/584157604.db2.gz IVYBTJMLWYHDEC-LBPRGKRZSA-N 2 0 268.336 -0.211 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C[C@H]1C[NH3+] ZINC000876949976 584157648 /nfs/dbraw/zinc/15/76/48/584157648.db2.gz ZVUQDHPPOQIJPK-RGOKHQFPSA-N 2 0 277.315 -0.351 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876960516 584158451 /nfs/dbraw/zinc/15/84/51/584158451.db2.gz FFIUIFRHOUJFRC-QWHCGFSZSA-N 2 0 288.411 -0.066 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000876973389 584159271 /nfs/dbraw/zinc/15/92/71/584159271.db2.gz ZIOLVOZSEBACRZ-CLLWAYQCSA-N 2 0 292.427 -0.096 20 0 CBADRP COC[C@]1(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C[NH2+]CCO1 ZINC000876985016 584159863 /nfs/dbraw/zinc/15/98/63/584159863.db2.gz MRSWPDVEARPCET-BNOWGMLFSA-N 2 0 283.372 -0.669 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877016685 584161704 /nfs/dbraw/zinc/16/17/04/584161704.db2.gz BSPZSSNNXYZNQQ-GUBZILKMSA-N 2 0 296.337 -0.139 20 0 CBADRP C[NH2+]CCOCCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877024902 584162125 /nfs/dbraw/zinc/16/21/25/584162125.db2.gz SAYQJSDUTCJIIQ-NSHDSACASA-N 2 0 259.350 -0.893 20 0 CBADRP O=C(CCC12CC(C1)C[NH2+]2)NC[C@@H]1COCC[NH2+]1 ZINC000877038093 584162996 /nfs/dbraw/zinc/16/29/96/584162996.db2.gz HJAHUSRURNBBNL-QWKFWESOSA-N 2 0 253.346 -0.377 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000877037716 584163115 /nfs/dbraw/zinc/16/31/15/584163115.db2.gz ACANUZXKEBNIFB-AOIOQCJFSA-N 2 0 253.346 -0.497 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000877102758 584166031 /nfs/dbraw/zinc/16/60/31/584166031.db2.gz DBQZZBCVRVLNPY-MNOVXSKESA-N 2 0 270.377 -0.798 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCCCC[C@@H]([NH3+])C2)=NO1 ZINC000877126198 584167532 /nfs/dbraw/zinc/16/75/32/584167532.db2.gz ZCGGRHSCQOIDBQ-ZJUUUORDSA-N 2 0 254.334 -0.180 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877144730 584168088 /nfs/dbraw/zinc/16/80/88/584168088.db2.gz UEQBWIOADPHHCU-MCIONIFRSA-N 3 0 299.463 -0.927 20 0 CBADRP CN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@H]1C[NH+]2CCC1CC2 ZINC000877146632 584168102 /nfs/dbraw/zinc/16/81/02/584168102.db2.gz WTVKLEFJZDDMPL-PWSUYJOCSA-N 2 0 266.345 -0.357 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877153667 584168288 /nfs/dbraw/zinc/16/82/88/584168288.db2.gz XOYCFFWZRAVNHH-AAEUAGOBSA-N 2 0 298.431 -0.020 20 0 CBADRP C[C@]1(C(=O)N2C3CCC2(C[NH3+])CC3)C[NH2+]CCO1 ZINC000877184658 584169663 /nfs/dbraw/zinc/16/96/63/584169663.db2.gz PTWLPHPPHKNTBF-YXMLORGKSA-N 2 0 253.346 -0.153 20 0 CBADRP CC[NH2+]CC(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000877207782 584170596 /nfs/dbraw/zinc/17/05/96/584170596.db2.gz JDVIYOIPENBKRO-UHFFFAOYSA-N 2 0 288.355 -0.048 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1=O ZINC000877243356 584172029 /nfs/dbraw/zinc/17/20/29/584172029.db2.gz OWEMCMIQEXTRNK-SDDRHHMPSA-N 2 0 282.388 -0.750 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3OCC[C@@H]3[NH3+])CC[C@H]21 ZINC000877251115 584172889 /nfs/dbraw/zinc/17/28/89/584172889.db2.gz YOSYHDGZOOWJQG-NNYUYHANSA-N 2 0 253.346 -0.345 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1CCO[C@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000877254473 584173393 /nfs/dbraw/zinc/17/33/93/584173393.db2.gz UZMBPTUDWZNYEH-JLLWLGSASA-N 2 0 255.362 -0.146 20 0 CBADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000877258630 584173733 /nfs/dbraw/zinc/17/37/33/584173733.db2.gz QFMCOFQEZHUNIE-LBPRGKRZSA-N 2 0 255.362 -0.456 20 0 CBADRP COCCC1(NC(=O)C[C@@H]2C[NH2+]CCO2)CC[NH2+]CC1 ZINC000877266161 584173927 /nfs/dbraw/zinc/17/39/27/584173927.db2.gz AHYAUQAUGLHAPU-GFCCVEGCSA-N 2 0 285.388 -0.360 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000877267272 584173973 /nfs/dbraw/zinc/17/39/73/584173973.db2.gz WOMJWMGHMAIRQV-SDDRHHMPSA-N 2 0 254.378 -0.524 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877273257 584175148 /nfs/dbraw/zinc/17/51/48/584175148.db2.gz NKPGJZSBZZWAMO-VXGBXAGGSA-N 2 0 252.362 -0.756 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877330479 584178647 /nfs/dbraw/zinc/17/86/47/584178647.db2.gz CIGZFICHWLZHDK-NEPJUHHUSA-N 2 0 285.388 -0.375 20 0 CBADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877331952 584178770 /nfs/dbraw/zinc/17/87/70/584178770.db2.gz TVTAXFRTNDAFFN-GHMZBOCLSA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877332249 584178773 /nfs/dbraw/zinc/17/87/73/584178773.db2.gz WVBYMJPAOQSTFY-STQMWFEESA-N 2 0 297.399 -0.360 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877338681 584179151 /nfs/dbraw/zinc/17/91/51/584179151.db2.gz JYJJQGZCQSVJML-KBPBESRZSA-N 2 0 276.384 -0.294 20 0 CBADRP [NH3+]CCOCC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877346612 584179340 /nfs/dbraw/zinc/17/93/40/584179340.db2.gz FNLHHPMMWFCEDX-ZDUSSCGKSA-N 2 0 263.341 -0.208 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877358110 584179525 /nfs/dbraw/zinc/17/95/25/584179525.db2.gz ZZYOMFBMGYEHIA-CIUDSAMLSA-N 2 0 282.310 -0.529 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877358114 584179563 /nfs/dbraw/zinc/17/95/63/584179563.db2.gz ZZYOMFBMGYEHIA-YIZRAAEISA-N 2 0 282.310 -0.529 20 0 CBADRP C[C@]1(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C[NH2+]CCO1 ZINC000877357241 584179596 /nfs/dbraw/zinc/17/95/96/584179596.db2.gz WLMBVNCALBTUSR-IQJOONFLSA-N 2 0 295.305 -0.040 20 0 CBADRP COCC[NH2+]CC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877371842 584179674 /nfs/dbraw/zinc/17/96/74/584179674.db2.gz WQBMHDCTRUJAMW-DTWKUNHWSA-N 2 0 283.294 -0.182 20 0 CBADRP COC[C@@]1(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C[NH2+]CCO1 ZINC000877371790 584179734 /nfs/dbraw/zinc/17/97/34/584179734.db2.gz VQAVCVAOIOJOBU-IACUBPJLSA-N 2 0 283.372 -0.941 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877372585 584179915 /nfs/dbraw/zinc/17/99/15/584179915.db2.gz JOFYMIYHTAJAHU-GMXVVIOVSA-N 2 0 255.362 -0.193 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877373889 584180157 /nfs/dbraw/zinc/18/01/57/584180157.db2.gz NUUBAMQODHMWNO-OUJBWJOFSA-N 2 0 269.345 -0.665 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877392004 584180598 /nfs/dbraw/zinc/18/05/98/584180598.db2.gz YKPXAAXXUCEPRT-WZRBSPASSA-N 2 0 253.346 -0.234 20 0 CBADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000877450823 584182392 /nfs/dbraw/zinc/18/23/92/584182392.db2.gz GDUALWWLFOFSFZ-XFMPKHEZSA-N 2 0 279.384 -0.083 20 0 CBADRP c1nnnn1CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000877970763 584189425 /nfs/dbraw/zinc/18/94/25/584189425.db2.gz SQMWGDJFOXTAPG-UHFFFAOYSA-N 2 0 280.376 -0.283 20 0 CBADRP CC(C)[N@H+](CCO)CC(=O)NC1CC[NH+](C)CC1 ZINC000877987880 584189686 /nfs/dbraw/zinc/18/96/86/584189686.db2.gz VRLMNTJVNLZUGO-UHFFFAOYSA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@@H](O)C1CC1 ZINC000878175278 584194959 /nfs/dbraw/zinc/19/49/59/584194959.db2.gz ODOQPCVCKSBLQS-CYBMUJFWSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H](O)C[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H](C)CO ZINC000878486859 584205299 /nfs/dbraw/zinc/20/52/99/584205299.db2.gz ISNZMIKXXBVVDQ-RYUDHWBXSA-N 2 0 287.404 -0.740 20 0 CBADRP CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878548656 584207961 /nfs/dbraw/zinc/20/79/61/584207961.db2.gz ZVJOVVNPTNIENA-HNNXBMFYSA-N 2 0 296.415 -0.345 20 0 CBADRP COC(=O)[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@H]1C ZINC000878744796 584216082 /nfs/dbraw/zinc/21/60/82/584216082.db2.gz PHESVHOFCQZGAK-DGCLKSJQSA-N 2 0 297.399 -0.062 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@@H]1CCNC1=O ZINC000878968754 584221658 /nfs/dbraw/zinc/22/16/58/584221658.db2.gz ADOZXUXUMBGPGQ-LBPRGKRZSA-N 2 0 284.404 -0.536 20 0 CBADRP C[C@]12C[N@H+](C[C@@H](O)C[NH+]3CCCC3)C[C@@]1(C)C(=O)NC2=O ZINC000879158778 584228830 /nfs/dbraw/zinc/22/88/30/584228830.db2.gz XYMIGOJLEQIXIK-TUKIKUTGSA-N 2 0 295.383 -0.572 20 0 CBADRP CC(C)[N@H+](C)C[C@@H](O)CN1C[C@@H]2CCC[NH+]2C[C@@H]1CO ZINC000880073133 584261364 /nfs/dbraw/zinc/26/13/64/584261364.db2.gz SYKFLKFHQVJHSS-RRFJBIMHSA-N 2 0 285.432 -0.172 20 0 CBADRP CN(C)c1nccc(NCC[N@H+](C)CCOCCO)n1 ZINC000882951831 584334649 /nfs/dbraw/zinc/33/46/49/584334649.db2.gz WSJHZKMDQZVPIZ-UHFFFAOYSA-N 2 0 283.376 -0.105 20 0 CBADRP C[C@@H]1C[C@H](NCC[NH+](C)CCOCCO)CC[N@@H+]1C ZINC000883349572 584340306 /nfs/dbraw/zinc/34/03/06/584340306.db2.gz GCUYZOORXKLSRS-ZIAGYGMSSA-N 2 0 273.421 -0.001 20 0 CBADRP c1nnnn1CC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000883429379 584341959 /nfs/dbraw/zinc/34/19/59/584341959.db2.gz TVISYXPPQNLZCJ-NWDGAFQWSA-N 2 0 250.350 -0.005 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCn3cnnn3)C2)C1 ZINC000883434725 584342332 /nfs/dbraw/zinc/34/23/32/584342332.db2.gz ZMFCTHUOAMFCOY-UPJWGTAASA-N 2 0 280.376 -0.109 20 0 CBADRP c1nnnn1CC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000883437852 584342494 /nfs/dbraw/zinc/34/24/94/584342494.db2.gz CMFXUYATCROIDI-CYBMUJFWSA-N 2 0 280.376 -0.236 20 0 CBADRP O=C(N1CC[NH2+]CC1)N1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883437461 584342522 /nfs/dbraw/zinc/34/25/22/584342522.db2.gz SNOGTHZIGGELJU-STQMWFEESA-N 2 0 299.394 -0.671 20 0 CBADRP CO[C@@H]1COCC[C@@H]1[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000883461592 584343305 /nfs/dbraw/zinc/34/33/05/584343305.db2.gz YIETWJAGTJZHGO-QWHCGFSZSA-N 2 0 285.388 -0.456 20 0 CBADRP [NH3+][C@@H](CC1CC1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000884006501 584355389 /nfs/dbraw/zinc/35/53/89/584355389.db2.gz SUYPOEVXRQGSGO-LBPRGKRZSA-N 2 0 254.378 -0.475 20 0 CBADRP C[NH2+]CCCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884012815 584355630 /nfs/dbraw/zinc/35/56/30/584355630.db2.gz VRLSSHZZJCHIFL-UHFFFAOYSA-N 2 0 277.372 -0.170 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884012027 584355691 /nfs/dbraw/zinc/35/56/91/584355691.db2.gz XIWRZKQPWAYQEC-CYBMUJFWSA-N 2 0 289.383 -0.027 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000884020099 584355990 /nfs/dbraw/zinc/35/59/90/584355990.db2.gz NHYXCPREXGJWAB-VXGBXAGGSA-N 2 0 296.415 -0.455 20 0 CBADRP C[NH2+]CCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884023267 584356204 /nfs/dbraw/zinc/35/62/04/584356204.db2.gz HGNSJEIODXGEGJ-UHFFFAOYSA-N 2 0 263.345 -0.560 20 0 CBADRP CN(C(=O)c1ccnc(N2CC[NH2+]CC2)c1)[C@H]1CC[NH2+]C1 ZINC000884028416 584356435 /nfs/dbraw/zinc/35/64/35/584356435.db2.gz GHGKWBHOROMMLE-ZDUSSCGKSA-N 2 0 289.383 -0.075 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)[C@@H](C[NH3+])C1 ZINC000884042057 584357409 /nfs/dbraw/zinc/35/74/09/584357409.db2.gz PACLUCAXMMAICB-QWRGUYRKSA-N 2 0 254.378 -0.667 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000884180296 584364511 /nfs/dbraw/zinc/36/45/11/584364511.db2.gz SQZZNFHFULABBT-QWHCGFSZSA-N 2 0 287.404 -0.177 20 0 CBADRP COCC[C@H]([NH3+])C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000884192224 584365176 /nfs/dbraw/zinc/36/51/76/584365176.db2.gz ZRTSZPRAXKZCRK-CMPLNLGQSA-N 2 0 275.418 -0.096 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884243753 584369480 /nfs/dbraw/zinc/36/94/80/584369480.db2.gz OIQRPSOMHDVLQL-NSHDSACASA-N 2 0 277.372 -0.042 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000884342341 584375539 /nfs/dbraw/zinc/37/55/39/584375539.db2.gz YUECHJYPMQZXIR-GHMZBOCLSA-N 2 0 255.362 -0.192 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000884348357 584375770 /nfs/dbraw/zinc/37/57/70/584375770.db2.gz WRNGMLYIWLQTBG-HBNTYKKESA-N 2 0 255.362 -0.003 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000884357598 584376147 /nfs/dbraw/zinc/37/61/47/584376147.db2.gz AYZBCIWPHOZFMG-GMTAPVOTSA-N 2 0 282.388 -0.513 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000884357597 584376151 /nfs/dbraw/zinc/37/61/51/584376151.db2.gz AYZBCIWPHOZFMG-AXFHLTTASA-N 2 0 282.388 -0.513 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000884360768 584376524 /nfs/dbraw/zinc/37/65/24/584376524.db2.gz GHWNVMDTRWTRAR-MNOVXSKESA-N 2 0 255.362 -0.003 20 0 CBADRP C[S@](=O)C1(C(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)CC[NH2+]CC1 ZINC000884365969 584376974 /nfs/dbraw/zinc/37/69/74/584376974.db2.gz RNJVVXWFLHYDSE-GJPGNPISSA-N 2 0 287.429 -0.271 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000884383061 584377886 /nfs/dbraw/zinc/37/78/86/584377886.db2.gz ZEXWUIRHWUHBTE-GVXVVHGQSA-N 2 0 255.362 -0.062 20 0 CBADRP C[C@]1(NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC[NH2+]C1 ZINC000884422479 584380703 /nfs/dbraw/zinc/38/07/03/584380703.db2.gz XVFKQFWLNGQVCH-HNNXBMFYSA-N 2 0 289.383 -0.027 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884469654 584383472 /nfs/dbraw/zinc/38/34/72/584383472.db2.gz QPBXQALAZXYPMP-AULYBMBSSA-N 2 0 289.383 -0.042 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000884491124 584384793 /nfs/dbraw/zinc/38/47/93/584384793.db2.gz OAQVQAZRJZXJQB-RWMBFGLXSA-N 2 0 296.415 -0.075 20 0 CBADRP CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000884486117 584384807 /nfs/dbraw/zinc/38/48/07/584384807.db2.gz OOFFMSIUEDZJSU-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884545487 584387284 /nfs/dbraw/zinc/38/72/84/584387284.db2.gz JCPORPKGBJSIPH-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884545489 584387376 /nfs/dbraw/zinc/38/73/76/584387376.db2.gz JCPORPKGBJSIPH-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884553822 584387770 /nfs/dbraw/zinc/38/77/70/584387770.db2.gz HXYVGASWNRXWGS-UKJIMTQDSA-N 2 0 292.383 -0.842 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000884554384 584387856 /nfs/dbraw/zinc/38/78/56/584387856.db2.gz SGKDNFLTVJMFTJ-QWRGUYRKSA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000884577191 584388753 /nfs/dbraw/zinc/38/87/53/584388753.db2.gz ZHVOOZYHUPBKCV-AGIUHOORSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCCC(C)(C)[NH3+])C1CC1 ZINC000884601590 584389640 /nfs/dbraw/zinc/38/96/40/584389640.db2.gz QALQGLGVGNMGDI-UHFFFAOYSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)C1CC1 ZINC000884601529 584389695 /nfs/dbraw/zinc/38/96/95/584389695.db2.gz NYNHXTGTZMNQIR-WDEREUQCSA-N 2 0 282.388 -0.465 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000884601484 584389722 /nfs/dbraw/zinc/38/97/22/584389722.db2.gz MLSZHNFCPNOPJI-FRRDWIJNSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)[N@H+](C)C1CC1 ZINC000884616902 584391063 /nfs/dbraw/zinc/39/10/63/584391063.db2.gz DTVJRCJEWNCXGV-OUAUKWLOSA-N 2 0 282.388 -0.467 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)[N@H+](C)C1CC1 ZINC000884617521 584391222 /nfs/dbraw/zinc/39/12/22/584391222.db2.gz NKSUEWPVQLEXRL-IJLUTSLNSA-N 2 0 296.415 -0.362 20 0 CBADRP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C1=CC[N@H+](C)CC1 ZINC000884623800 584391407 /nfs/dbraw/zinc/39/14/07/584391407.db2.gz PACYOCKNHNFHIT-DGCLKSJQSA-N 2 0 294.399 -0.297 20 0 CBADRP CC(C)([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884626858 584391784 /nfs/dbraw/zinc/39/17/84/584391784.db2.gz XIJUPJJOLVKGPO-VXGBXAGGSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000884631560 584392331 /nfs/dbraw/zinc/39/23/31/584392331.db2.gz OFOGQMHFXNIJRJ-RTXFEEFZSA-N 2 0 294.399 -0.465 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884650436 584392503 /nfs/dbraw/zinc/39/25/03/584392503.db2.gz JHWVOCQTIPYLDW-SWLSCSKDSA-N 2 0 296.415 -0.488 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884665338 584393527 /nfs/dbraw/zinc/39/35/27/584393527.db2.gz PIKNZLYASCSGQT-UTUOFQBUSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000884669903 584393729 /nfs/dbraw/zinc/39/37/29/584393729.db2.gz JUDHHXIXIYWKMH-YVECIDJPSA-N 2 0 294.399 -0.323 20 0 CBADRP CC(C)([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000884669693 584393771 /nfs/dbraw/zinc/39/37/71/584393771.db2.gz DFHUGBXOAHSSKL-NWDGAFQWSA-N 2 0 296.415 -0.027 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCC[NH3+])CC[C@H]21 ZINC000884672997 584394199 /nfs/dbraw/zinc/39/41/99/584394199.db2.gz JVMVOKLJVBKAJD-GHMZBOCLSA-N 2 0 268.361 -0.996 20 0 CBADRP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000884673060 584394249 /nfs/dbraw/zinc/39/42/49/584394249.db2.gz LJAKQQCOPATWSI-UHFFFAOYSA-N 2 0 296.415 -0.072 20 0 CBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000884678367 584395122 /nfs/dbraw/zinc/39/51/22/584395122.db2.gz ZBWMNJHVUONJKT-AVERBVTBSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884684781 584395868 /nfs/dbraw/zinc/39/58/68/584395868.db2.gz PIFSZRLJVUXVOL-HBNTYKKESA-N 2 0 268.361 -0.998 20 0 CBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NCC[NH2+]C)CC1 ZINC000884686549 584396409 /nfs/dbraw/zinc/39/64/09/584396409.db2.gz NRMHRJQJJGGRSZ-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884697980 584398386 /nfs/dbraw/zinc/39/83/86/584398386.db2.gz HWACFZFNNQXQHB-IJLUTSLNSA-N 2 0 282.388 -0.750 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000884697886 584398412 /nfs/dbraw/zinc/39/84/12/584398412.db2.gz GIIKVHRNXUYBNE-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000884704721 584399246 /nfs/dbraw/zinc/39/92/46/584399246.db2.gz QWLTXDOTZNPWLX-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC3([NH3+])CCC3)CC[C@H]21 ZINC000884715585 584400126 /nfs/dbraw/zinc/40/01/26/584400126.db2.gz YGGZGHZPBYGAFQ-VXGBXAGGSA-N 2 0 294.399 -0.463 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884723002 584400823 /nfs/dbraw/zinc/40/08/23/584400823.db2.gz UFAVEBHRTYVPOF-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[C@H]1C[NH3+] ZINC000884774211 584401968 /nfs/dbraw/zinc/40/19/68/584401968.db2.gz HKENXPFHGJTRHK-LPWJVIDDSA-N 2 0 296.415 -0.504 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000884796250 584402526 /nfs/dbraw/zinc/40/25/26/584402526.db2.gz FCHZQGDAYSJEMF-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)([NH2+]CCC(=O)N1CC[NH2+]CC1)C(=O)N1CCCC1 ZINC000886858282 584448933 /nfs/dbraw/zinc/44/89/33/584448933.db2.gz UUEWLDAZYFKFKU-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP CCN([C@H]1CC[NH2+]C1)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000886892284 584451178 /nfs/dbraw/zinc/45/11/78/584451178.db2.gz WRXTXPKVGIWKIQ-LBPRGKRZSA-N 2 0 290.433 -0.401 20 0 CBADRP CCN(C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)[C@H]1CC[NH2+]C1 ZINC000887066418 584460911 /nfs/dbraw/zinc/46/09/11/584460911.db2.gz LDKCPZLCIQNCIS-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CCN(C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CC[NH2+]C1 ZINC000887066415 584460953 /nfs/dbraw/zinc/46/09/53/584460953.db2.gz LDKCPZLCIQNCIS-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CCN(C(=O)C(=O)N(C)CC[N@H+](C)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000887068024 584461191 /nfs/dbraw/zinc/46/11/91/584461191.db2.gz DMDBOBMDGHLDSG-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP [NH3+][C@H]1CCCN(Cc2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000887423289 584467634 /nfs/dbraw/zinc/46/76/34/584467634.db2.gz QNTKTSPRPWRJQS-RYUDHWBXSA-N 2 0 264.377 -0.047 20 0 CBADRP CC[N@H+](C)C[C@@H](O)Cn1cc(CN2CCC[C@H]([NH3+])C2)nn1 ZINC000887451200 584468132 /nfs/dbraw/zinc/46/81/32/584468132.db2.gz IXRLIZNRPJISKH-GXTWGEPZSA-N 2 0 296.419 -0.486 20 0 CBADRP CC[N@H+](C)C[C@@H](O)Cn1cc(CN2CCC[C@@H]([NH3+])C2)nn1 ZINC000887451203 584468170 /nfs/dbraw/zinc/46/81/70/584468170.db2.gz IXRLIZNRPJISKH-TZMCWYRMSA-N 2 0 296.419 -0.486 20 0 CBADRP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000887923057 584477120 /nfs/dbraw/zinc/47/71/20/584477120.db2.gz LXAZXOOBFCIXST-PAPYEOQZSA-N 2 0 281.400 -0.148 20 0 CBADRP C[C@H](C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)[NH+](C)C ZINC000889744158 584534712 /nfs/dbraw/zinc/53/47/12/584534712.db2.gz KPDBETSABZAPMX-FRRDWIJNSA-N 2 0 269.389 -0.006 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3CCO)C1 ZINC000889754860 584535478 /nfs/dbraw/zinc/53/54/78/584535478.db2.gz GQKSZMVKNXMDJU-IHRRRGAJSA-N 2 0 281.400 -0.004 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3[C@H]2CCC[NH+]3CCO)C1 ZINC000889754863 584535598 /nfs/dbraw/zinc/53/55/98/584535598.db2.gz GQKSZMVKNXMDJU-MELADBBJSA-N 2 0 281.400 -0.004 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891492077 584582514 /nfs/dbraw/zinc/58/25/14/584582514.db2.gz DOMPQSMIZXFWSQ-XYPYZODXSA-N 2 0 258.366 -0.399 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NCCC(C)(C)[NH3+] ZINC000891493225 584582602 /nfs/dbraw/zinc/58/26/02/584582602.db2.gz OPCOJKVDCKDTCS-UHFFFAOYSA-N 2 0 260.382 -0.009 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000891513945 584583523 /nfs/dbraw/zinc/58/35/23/584583523.db2.gz KHPDEANIMLUKMJ-QNWHQSFQSA-N 2 0 282.388 -0.114 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000891514653 584583564 /nfs/dbraw/zinc/58/35/64/584583564.db2.gz WDVKOUHNKADCON-UPJWGTAASA-N 2 0 282.388 -0.018 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891540674 584584849 /nfs/dbraw/zinc/58/48/49/584584849.db2.gz XEDHJFLPROPKCT-HZSPNIEDSA-N 2 0 295.431 -0.232 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891540677 584584868 /nfs/dbraw/zinc/58/48/68/584584868.db2.gz XEDHJFLPROPKCT-RDBSUJKOSA-N 2 0 295.431 -0.232 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891539446 584584916 /nfs/dbraw/zinc/58/49/16/584584916.db2.gz ARPQQDPCBZYARR-VNHYZAJKSA-N 2 0 295.431 -0.184 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCCOCC[NH+](C)C ZINC000891840789 584593017 /nfs/dbraw/zinc/59/30/17/584593017.db2.gz DEJLKIRAJVRPBL-WDEREUQCSA-N 2 0 258.366 -0.304 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000891845801 584593080 /nfs/dbraw/zinc/59/30/80/584593080.db2.gz YYVYRTFRKBJVKL-LLVKDONJSA-N 2 0 258.366 -0.303 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891842533 584593083 /nfs/dbraw/zinc/59/30/83/584593083.db2.gz UNOUKEPOTPOXPT-QWRGUYRKSA-N 2 0 256.350 -0.680 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC2CC[NH2+]CC2)C1 ZINC000891958663 584595555 /nfs/dbraw/zinc/59/55/55/584595555.db2.gz LKUUMTJOFZKNHX-LBPRGKRZSA-N 2 0 284.404 -0.117 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000891967838 584595740 /nfs/dbraw/zinc/59/57/40/584595740.db2.gz CJNVPSKWDLQEEP-HAQNSBGRSA-N 2 0 269.393 -0.682 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891967819 584595851 /nfs/dbraw/zinc/59/58/51/584595851.db2.gz BIOFZNXJUZQBIG-KGLIPLIRSA-N 2 0 295.431 -0.182 20 0 CBADRP C[N@@H+]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1(C)C ZINC000891970478 584595988 /nfs/dbraw/zinc/59/59/88/584595988.db2.gz KZVDDFGHJAVWPE-UHFFFAOYSA-N 2 0 297.403 -0.846 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCN1CC[NH2+]CC1 ZINC000891972288 584596339 /nfs/dbraw/zinc/59/63/39/584596339.db2.gz CIFSGLBTZFXLKQ-MNOVXSKESA-N 2 0 255.366 -0.977 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)NCCN3CC[NH2+]CC3)CC[C@@H]21 ZINC000891972841 584596577 /nfs/dbraw/zinc/59/65/77/584596577.db2.gz LUYOQQSFSHBLCS-KBPBESRZSA-N 2 0 295.431 -0.373 20 0 CBADRP [NH3+]CCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891976668 584596883 /nfs/dbraw/zinc/59/68/83/584596883.db2.gz GQXMPEHLXRZPSG-CYBMUJFWSA-N 2 0 299.419 -0.959 20 0 CBADRP [NH3+]CCNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891976901 584596899 /nfs/dbraw/zinc/59/68/99/584596899.db2.gz POQBGBOQILENAF-NKWVEPMBSA-N 2 0 254.256 -0.276 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000892003878 584598602 /nfs/dbraw/zinc/59/86/02/584598602.db2.gz ZCHJKPTYNDGWOX-MNOVXSKESA-N 2 0 270.377 -0.507 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000892044916 584600767 /nfs/dbraw/zinc/60/07/67/584600767.db2.gz PRRARPIJHQEPDO-MGPQQGTHSA-N 3 0 299.463 -0.038 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCC2C[NH2+]C2)C1 ZINC000892047576 584601254 /nfs/dbraw/zinc/60/12/54/584601254.db2.gz ZCXFKFWVSAYOSY-NSHDSACASA-N 2 0 270.377 -0.650 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000892055622 584602372 /nfs/dbraw/zinc/60/23/72/584602372.db2.gz KQFAUTFYXLZDQO-RYUDHWBXSA-N 2 0 270.377 -0.242 20 0 CBADRP C[C@H]([NH3+])CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892103938 584604835 /nfs/dbraw/zinc/60/48/35/584604835.db2.gz SUMFHKFWHFIGLU-QWRGUYRKSA-N 2 0 270.377 -0.209 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000892165841 584606930 /nfs/dbraw/zinc/60/69/30/584606930.db2.gz DWTCNMIPJZLKTN-UTUOFQBUSA-N 2 0 270.377 -0.066 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000892168969 584607121 /nfs/dbraw/zinc/60/71/21/584607121.db2.gz KZRRLEFFGSSUSL-AVGNSLFASA-N 2 0 282.388 -0.099 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892170706 584607510 /nfs/dbraw/zinc/60/75/10/584607510.db2.gz WCVNSUUTXFTCDK-DCAQKATOSA-N 2 0 254.334 -0.879 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000892189982 584608742 /nfs/dbraw/zinc/60/87/42/584608742.db2.gz QTFZSKCOIOBYKB-OUAUKWLOSA-N 2 0 256.350 -0.456 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000892281712 584611999 /nfs/dbraw/zinc/61/19/99/584611999.db2.gz VXGZWKPOLJOZDF-AAEUAGOBSA-N 2 0 270.377 -0.194 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000892282042 584612058 /nfs/dbraw/zinc/61/20/58/584612058.db2.gz KCEVUARZJJRBDO-QWHCGFSZSA-N 2 0 284.404 -0.042 20 0 CBADRP [NH3+]CC1(NC(=O)NC[C@H]2COCC[NH2+]2)CCCCC1 ZINC000892290770 584613390 /nfs/dbraw/zinc/61/33/90/584613390.db2.gz SRSBFOYOBHILOX-NSHDSACASA-N 2 0 270.377 -0.064 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892291744 584613609 /nfs/dbraw/zinc/61/36/09/584613609.db2.gz NTPFUALFKDAGDG-PHIMTYICSA-N 2 0 256.350 -0.502 20 0 CBADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H]1COCC[NH2+]1 ZINC000892290819 584613623 /nfs/dbraw/zinc/61/36/23/584613623.db2.gz UQUPODKYMNHURZ-RNJOBUHISA-N 2 0 282.388 -0.195 20 0 CBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N(CC[NH3+])CCO)C1 ZINC000892480781 584617436 /nfs/dbraw/zinc/61/74/36/584617436.db2.gz KKEOKKYMKJSKAK-NSHDSACASA-N 2 0 272.393 -0.273 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892559552 584618739 /nfs/dbraw/zinc/61/87/39/584618739.db2.gz LJOPPSQMUJSBBV-BETUJISGSA-N 3 0 285.436 -0.142 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000892565820 584619002 /nfs/dbraw/zinc/61/90/02/584619002.db2.gz LKSHDZLUWLWHAE-SRVKXCTJSA-N 2 0 284.404 -0.132 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892574637 584619432 /nfs/dbraw/zinc/61/94/32/584619432.db2.gz WCIBOQGQUXHAQO-NHCYSSNCSA-N 2 0 258.366 -0.665 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892586589 584620136 /nfs/dbraw/zinc/62/01/36/584620136.db2.gz VKAULQIGOXSCEJ-CRWXNKLISA-N 2 0 296.415 -0.117 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000892686876 584622729 /nfs/dbraw/zinc/62/27/29/584622729.db2.gz DZBMVKSPOUIUFX-QWHCGFSZSA-N 2 0 284.404 -0.090 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000892686877 584622822 /nfs/dbraw/zinc/62/28/22/584622822.db2.gz DZBMVKSPOUIUFX-STQMWFEESA-N 2 0 284.404 -0.090 20 0 CBADRP CN(CC[NH3+])C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892755396 584625153 /nfs/dbraw/zinc/62/51/53/584625153.db2.gz HDJZQSMVCHTVDM-LLVKDONJSA-N 2 0 270.377 -0.255 20 0 CBADRP CCC1([NH3+])CCN(C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000892932732 584630070 /nfs/dbraw/zinc/63/00/70/584630070.db2.gz AGUQESDHNQTCHV-LLVKDONJSA-N 2 0 270.377 -0.031 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000894366648 584656689 /nfs/dbraw/zinc/65/66/89/584656689.db2.gz MVQCWXXZNLCBRK-CHWSQXEVSA-N 2 0 284.404 -0.090 20 0 CBADRP C[NH+]1CCC(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000895521615 584680957 /nfs/dbraw/zinc/68/09/57/584680957.db2.gz KUOLYVVCZNPTCG-ZDUSSCGKSA-N 2 0 267.373 -0.083 20 0 CBADRP COC(=O)CCNC(=O)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000895631041 584683233 /nfs/dbraw/zinc/68/32/33/584683233.db2.gz DKRIOKSOLLAVNS-UHFFFAOYSA-N 2 0 285.388 -0.013 20 0 CBADRP CN(C)S(=O)(=O)N1CC([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000895660866 584683806 /nfs/dbraw/zinc/68/38/06/584683806.db2.gz YVQNQSFHIYECRY-UHFFFAOYSA-N 2 0 290.433 -0.592 20 0 CBADRP C[C@H](CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)[NH+](C)C ZINC000895682212 584684896 /nfs/dbraw/zinc/68/48/96/584684896.db2.gz UGVPDODXLJYIAT-PWSUYJOCSA-N 2 0 255.362 -0.227 20 0 CBADRP C[C@@H](CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)[NH+](C)C ZINC000895682211 584684914 /nfs/dbraw/zinc/68/49/14/584684914.db2.gz UGVPDODXLJYIAT-JQWIXIFHSA-N 2 0 255.362 -0.227 20 0 CBADRP C[C@H](CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)[NH+](C)C ZINC000895682214 584684959 /nfs/dbraw/zinc/68/49/59/584684959.db2.gz UGVPDODXLJYIAT-ZYHUDNBSSA-N 2 0 255.362 -0.227 20 0 CBADRP C[N@H+](CCNC(=O)C1C[NH+]([C@H]2CCOC2)C1)C1CC1 ZINC000895873769 584688783 /nfs/dbraw/zinc/68/87/83/584688783.db2.gz KVCWIECYSLXTCV-ZDUSSCGKSA-N 2 0 267.373 -0.083 20 0 CBADRP CN(CC[NH2+]CC1CC[NH+](C)CC1)CCOCCO ZINC000896024282 584691256 /nfs/dbraw/zinc/69/12/56/584691256.db2.gz WRWBCVNQAVHKKP-UHFFFAOYSA-N 2 0 273.421 -0.142 20 0 CBADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1C[NH+](C)CCN1C ZINC000896529265 584700729 /nfs/dbraw/zinc/70/07/29/584700729.db2.gz AGLUWHSHXFXRST-UPJWGTAASA-N 2 0 268.405 -0.169 20 0 CBADRP C[C@H](C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C)[NH+](C)C ZINC000896531567 584701121 /nfs/dbraw/zinc/70/11/21/584701121.db2.gz PSWNUTWWUHKTGA-TUAOUCFPSA-N 2 0 256.394 -0.313 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896670800 584704408 /nfs/dbraw/zinc/70/44/08/584704408.db2.gz QDEIOKPYFYOBHN-AWEZNQCLSA-N 2 0 299.415 -0.208 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000897146452 584709063 /nfs/dbraw/zinc/70/90/63/584709063.db2.gz SWPUELPKVFFIDF-OLZOCXBDSA-N 2 0 280.416 -0.025 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN2CCN1CC2 ZINC000897146303 584709088 /nfs/dbraw/zinc/70/90/88/584709088.db2.gz QBGZATKDBVOCQE-RYUDHWBXSA-N 2 0 252.362 -0.803 20 0 CBADRP C[NH+](C)CCOCCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897313020 584712655 /nfs/dbraw/zinc/71/26/55/584712655.db2.gz SEECTSJNQXELKC-CYBMUJFWSA-N 2 0 285.388 -0.599 20 0 CBADRP O=C(NCC[N@@H+]1CCCOCC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897503496 584718364 /nfs/dbraw/zinc/71/83/64/584718364.db2.gz YNKRPPFSCLMKCM-AWEZNQCLSA-N 2 0 297.399 -0.454 20 0 CBADRP CCN1CC[C@H]1CNC(=O)C(=O)NCc1nccn1C ZINC000897659936 584722171 /nfs/dbraw/zinc/72/21/71/584722171.db2.gz QWAXADQQGBOVDJ-JTQLQIEISA-N 2 0 279.344 -0.753 20 0 CBADRP C[NH+](C)C1CC(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000897666867 584722252 /nfs/dbraw/zinc/72/22/52/584722252.db2.gz GFORTUUDZOXYBB-CPCZMJQVSA-N 2 0 267.373 -0.084 20 0 CBADRP C[N@@H+]1C[C@@H]2CCN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)[C@@H]2C1 ZINC000897825804 584725524 /nfs/dbraw/zinc/72/55/24/584725524.db2.gz PESHUDIQNVFFTK-FPMFFAJLSA-N 2 0 279.384 -0.130 20 0 CBADRP CC[N@@H+]1CC[C@H]1CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000899224867 584753744 /nfs/dbraw/zinc/75/37/44/584753744.db2.gz VLZQPZMPWMFBBN-QWHCGFSZSA-N 2 0 267.373 -0.083 20 0 CBADRP CCO[C@H](CNC(=S)NCC[NH+](C)C)C[NH+](C)C ZINC000899567714 584760502 /nfs/dbraw/zinc/76/05/02/584760502.db2.gz ZMFINYKLTWWWDZ-LLVKDONJSA-N 2 0 276.450 -0.021 20 0 CBADRP C[N@H+](CCO)CCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000899737546 584777845 /nfs/dbraw/zinc/77/78/45/584777845.db2.gz LJRXUIBNSKJWNN-UHFFFAOYSA-N 2 0 269.389 -0.099 20 0 CBADRP Cc1cn(C(C)(C)C(=O)NCC[N@H+](C)CCO)cn1 ZINC000899741337 584779881 /nfs/dbraw/zinc/77/98/81/584779881.db2.gz QVMDKKUGJMMKNJ-UHFFFAOYSA-N 2 0 268.361 -0.033 20 0 CBADRP C[N@H+](CCO)CCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000899741899 584780158 /nfs/dbraw/zinc/78/01/58/584780158.db2.gz VSUSLZARAWBVIM-UHFFFAOYSA-N 2 0 285.388 -0.863 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000899904874 584783674 /nfs/dbraw/zinc/78/36/74/584783674.db2.gz RASKTCPCDAWUTM-YPMHNXCESA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@@H+]1CCCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000899934349 584785807 /nfs/dbraw/zinc/78/58/07/584785807.db2.gz CPBAMPWYFMVDKE-CYBMUJFWSA-N 2 0 267.373 -0.129 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC1CC[NH+](C)CC1 ZINC000900001331 584788261 /nfs/dbraw/zinc/78/82/61/584788261.db2.gz CTHPGEHLANVDEC-DGCLKSJQSA-N 2 0 255.362 -0.348 20 0 CBADRP C[NH+](C)CCN1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900010250 584788972 /nfs/dbraw/zinc/78/89/72/584788972.db2.gz VPGBTXXKBSBLOG-HIFRSBDPSA-N 2 0 298.431 -0.853 20 0 CBADRP C[NH+]1CCN(CCNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000900043501 584789918 /nfs/dbraw/zinc/78/99/18/584789918.db2.gz OBQGPOQODQXVHV-CQSZACIVSA-N 2 0 296.415 -0.929 20 0 CBADRP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000900305192 584799260 /nfs/dbraw/zinc/79/92/60/584799260.db2.gz GWDSJDCSQBXWQE-WZRBSPASSA-N 2 0 255.362 -0.491 20 0 CBADRP C[N@H+](CCNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)C1CC1 ZINC000900367953 584800688 /nfs/dbraw/zinc/80/06/88/584800688.db2.gz XPIFSPCPLQDFSU-YPMHNXCESA-N 2 0 255.362 -0.348 20 0 CBADRP COCC[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC000900519646 584809790 /nfs/dbraw/zinc/80/97/90/584809790.db2.gz ZTJLTFVGPNHUMI-UHFFFAOYSA-N 2 0 255.362 -0.223 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000900526063 584810248 /nfs/dbraw/zinc/81/02/48/584810248.db2.gz SFVCVUOFDKPKHD-MBNYWOFBSA-N 2 0 269.389 -0.006 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000900630656 584817757 /nfs/dbraw/zinc/81/77/57/584817757.db2.gz OTMWKBJWFGTRDD-MBNYWOFBSA-N 2 0 269.389 -0.101 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000900659379 584819380 /nfs/dbraw/zinc/81/93/80/584819380.db2.gz MTIYHJRGDRZFGF-ZFWWWQNUSA-N 2 0 298.431 -0.805 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000900712092 584824039 /nfs/dbraw/zinc/82/40/39/584824039.db2.gz SBOOTDMSBIKASR-OBJOEFQTSA-N 2 0 269.389 -0.148 20 0 CBADRP C[NH+]1CCC(O)(CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900901899 584832413 /nfs/dbraw/zinc/83/24/13/584832413.db2.gz WHWUIORUNBMLAV-HNNXBMFYSA-N 2 0 299.415 -0.594 20 0 CBADRP CN(C[C@H](O)CN1CCOCC1)C(=O)C12CC[NH+](CC1)C2 ZINC000900981610 584836312 /nfs/dbraw/zinc/83/63/12/584836312.db2.gz BYVPNNPCRYDXGL-ZDUSSCGKSA-N 2 0 297.399 -0.766 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC1=CC[NH+](C)CC1 ZINC000901329272 584861198 /nfs/dbraw/zinc/86/11/98/584861198.db2.gz FUZKSHPLWADTLQ-GXTWGEPZSA-N 2 0 267.373 -0.180 20 0 CBADRP C[NH+](C)CCOCCNC(=O)C12CC[NH+](CC1)C2 ZINC000901340804 584862043 /nfs/dbraw/zinc/86/20/43/584862043.db2.gz HRIFTXBQYNPCQF-UHFFFAOYSA-N 2 0 255.362 -0.223 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C1 ZINC000902391111 584876269 /nfs/dbraw/zinc/87/62/69/584876269.db2.gz UIOIRFNRDVXUHF-GFCCVEGCSA-N 3 0 268.405 -0.214 20 0 CBADRP C[C@@H]([NH2+]C[C@]1(CO)COCCN1C)C1CC[NH+](C)CC1 ZINC000903283019 584889945 /nfs/dbraw/zinc/88/99/45/584889945.db2.gz VZOANXCJHJPACN-HIFRSBDPSA-N 2 0 285.432 -0.001 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(CO)COCCN2C)CC[N@@H+]1C ZINC000903284292 584890028 /nfs/dbraw/zinc/89/00/28/584890028.db2.gz ZYBZRCBZWRFZER-HZSPNIEDSA-N 2 0 271.405 -0.248 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)COCCN2C)CC[N@@H+]1C ZINC000903284305 584890075 /nfs/dbraw/zinc/89/00/75/584890075.db2.gz ZYBZRCBZWRFZER-MGPQQGTHSA-N 2 0 271.405 -0.248 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]C[C@]2(CO)COCCN2C)CC[N@@H+]1C ZINC000903284306 584890129 /nfs/dbraw/zinc/89/01/29/584890129.db2.gz ZYBZRCBZWRFZER-RDBSUJKOSA-N 2 0 271.405 -0.248 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH2+][C@@H](C(=O)N(C)C)C1 ZINC000903456698 584890705 /nfs/dbraw/zinc/89/07/05/584890705.db2.gz JGMOYZXALJTDRU-GRYCIOLGSA-N 2 0 254.378 -0.796 20 0 CBADRP CON1CC[C@H]([N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1=O ZINC000903453757 584890718 /nfs/dbraw/zinc/89/07/18/584890718.db2.gz KOETXWFKINXVJG-RYUDHWBXSA-N 2 0 268.361 -0.872 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903464644 584890756 /nfs/dbraw/zinc/89/07/56/584890756.db2.gz UYXCHLPTIUFYNP-KWCYVHTRSA-N 2 0 294.399 -0.005 20 0 CBADRP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C[C@H]21 ZINC000903463715 584890864 /nfs/dbraw/zinc/89/08/64/584890864.db2.gz JXONVVPLKFEOCD-SJHCENCUSA-N 2 0 288.413 -0.142 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903476237 584891143 /nfs/dbraw/zinc/89/11/43/584891143.db2.gz RIVAVSOITYXIBA-FVCCEPFGSA-N 2 0 280.372 -0.395 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493401 584891782 /nfs/dbraw/zinc/89/17/82/584891782.db2.gz RKMNSZLJGNIAJZ-WJZNIJOASA-N 2 0 269.345 -0.537 20 0 CBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903495289 584891825 /nfs/dbraw/zinc/89/18/25/584891825.db2.gz YXARYJLPRDAUTA-XCCSTKFXSA-N 3 0 285.388 -0.831 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C2 ZINC000903493168 584891847 /nfs/dbraw/zinc/89/18/47/584891847.db2.gz NIFXRHIPSROWTC-DYNIEEOBSA-N 2 0 283.372 -0.325 20 0 CBADRP [NH3+]CC[C@@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000903520346 584892292 /nfs/dbraw/zinc/89/22/92/584892292.db2.gz UMMNBJUEZCNARN-LLVKDONJSA-N 2 0 275.418 -0.014 20 0 CBADRP [NH3+]CC[C@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000903520347 584892295 /nfs/dbraw/zinc/89/22/95/584892295.db2.gz UMMNBJUEZCNARN-NSHDSACASA-N 2 0 275.418 -0.014 20 0 CBADRP CC(C)(C[NH3+])C1CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000903523276 584892346 /nfs/dbraw/zinc/89/23/46/584892346.db2.gz RHYBGXNFOMNZFT-UHFFFAOYSA-N 2 0 275.418 -0.015 20 0 CBADRP CC1(C)CC[N@H+](CCNS(=O)(=O)C2C[NH2+]C2)C1 ZINC000903559555 584893273 /nfs/dbraw/zinc/89/32/73/584893273.db2.gz WSTUSISLNVPAEY-UHFFFAOYSA-N 2 0 261.391 -0.391 20 0 CBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC[C@@]12CC[NH2+]C2 ZINC000903593176 584894349 /nfs/dbraw/zinc/89/43/49/584894349.db2.gz XKNAZGYZFTYMAP-NEPJUHHUSA-N 2 0 289.401 -0.868 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000903712867 584895435 /nfs/dbraw/zinc/89/54/35/584895435.db2.gz AUAMGEKXEWPWSJ-FRRDWIJNSA-N 2 0 297.399 -0.028 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903716600 584895565 /nfs/dbraw/zinc/89/55/65/584895565.db2.gz QAVDNCIBROUWMT-CABCVRRESA-N 3 0 282.432 -0.408 20 0 CBADRP CC(=O)NCC[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903764707 584898010 /nfs/dbraw/zinc/89/80/10/584898010.db2.gz VGVZYFUMRZTRPG-OLZOCXBDSA-N 2 0 255.362 -0.177 20 0 CBADRP COCC(COC)[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903783775 584899408 /nfs/dbraw/zinc/89/94/08/584899408.db2.gz CLTZAHDZLYZENZ-WDMOLILDSA-N 2 0 286.372 -0.140 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]1CN1CC[NH2+]CC[NH2+]CC1 ZINC000903785924 584899653 /nfs/dbraw/zinc/89/96/53/584899653.db2.gz BTDDGWRITOVBGP-NWDGAFQWSA-N 2 0 255.362 -0.320 20 0 CBADRP C[NH2+]CCN(C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC000903809053 584900373 /nfs/dbraw/zinc/90/03/73/584900373.db2.gz NJOIFPYADWVEPG-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[N@H+](CCC(=O)NC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903826927 584900947 /nfs/dbraw/zinc/90/09/47/584900947.db2.gz OEKFUNMJTFCJMI-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@](Cn1cccn1)([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)C(N)=O ZINC000903829609 584901137 /nfs/dbraw/zinc/90/11/37/584901137.db2.gz IHQSTMAZMLENSB-WCQYABFASA-N 2 0 293.371 -0.762 20 0 CBADRP C[C@@](Cn1cccn1)([NH2+]CC[C@H]1CC[NH2+]C1)C(N)=O ZINC000903829582 584901172 /nfs/dbraw/zinc/90/11/72/584901172.db2.gz HYVDHLHKLFFEFE-YPMHNXCESA-N 2 0 265.361 -0.284 20 0 CBADRP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000903830037 584901254 /nfs/dbraw/zinc/90/12/54/584901254.db2.gz RDQYKHPUWVYADG-FRRDWIJNSA-N 2 0 268.357 -0.003 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903837383 584901558 /nfs/dbraw/zinc/90/15/58/584901558.db2.gz JNGHPTOQAQRULO-CHWSQXEVSA-N 2 0 269.389 -0.325 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1CCC(=O)N1CC[NH2+]CC1 ZINC000903837219 584901585 /nfs/dbraw/zinc/90/15/85/584901585.db2.gz FYNGQKYRKZMKBR-CYBMUJFWSA-N 2 0 284.404 -0.881 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903837386 584901641 /nfs/dbraw/zinc/90/16/41/584901641.db2.gz JNGHPTOQAQRULO-STQMWFEESA-N 2 0 269.389 -0.325 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1CCC(=O)N1CC[NH2+]CC1 ZINC000903837220 584901655 /nfs/dbraw/zinc/90/16/55/584901655.db2.gz FYNGQKYRKZMKBR-ZDUSSCGKSA-N 2 0 284.404 -0.881 20 0 CBADRP C[NH2+][C@@H]1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903873507 584902894 /nfs/dbraw/zinc/90/28/94/584902894.db2.gz IXSOIVXEGCWPMV-VXGBXAGGSA-N 2 0 264.377 -0.004 20 0 CBADRP CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000903874314 584902935 /nfs/dbraw/zinc/90/29/35/584902935.db2.gz XUJLBHZQRRWPOG-RYUDHWBXSA-N 2 0 264.377 -0.004 20 0 CBADRP Cc1c(C[C@@H](C[NH3+])CN2CC[C@H]([NH3+])C2)cnn1C ZINC000903873932 584902975 /nfs/dbraw/zinc/90/29/75/584902975.db2.gz OHPZKWHIPIIVGJ-AAEUAGOBSA-N 2 0 251.378 -0.121 20 0 CBADRP C[C@H]1C(=O)NCCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903875664 584903222 /nfs/dbraw/zinc/90/32/22/584903222.db2.gz SQSVCLNPOOCPGL-OBJOEFQTSA-N 2 0 267.373 -0.035 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000903881000 584903647 /nfs/dbraw/zinc/90/36/47/584903647.db2.gz AEIPMKKMBNYXTP-CHWSQXEVSA-N 2 0 257.378 -0.637 20 0 CBADRP CC[C@@H]1C(=O)NCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000903881790 584903712 /nfs/dbraw/zinc/90/37/12/584903712.db2.gz ISFZSHSBYSBMMK-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP CC[C@H]1C(=O)NCCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903883739 584903791 /nfs/dbraw/zinc/90/37/91/584903791.db2.gz YYWBRDKKNQGORC-NEPJUHHUSA-N 2 0 267.373 -0.035 20 0 CBADRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2C(=O)NCC[C@H]2C)cnn1C ZINC000903909308 584904344 /nfs/dbraw/zinc/90/43/44/584904344.db2.gz TVHIYGFDLHIRGT-QKCSRTOESA-N 2 0 293.415 -0.040 20 0 CBADRP Cc1c(C[C@H](C[NH3+])CN2CCO[C@@H](C[NH3+])C2)cnn1C ZINC000903905625 584904436 /nfs/dbraw/zinc/90/44/36/584904436.db2.gz KBQMZWMBRZFHAV-OCCSQVGLSA-N 2 0 281.404 -0.495 20 0 CBADRP Cc1c(C[C@H](C[NH3+])C[NH2+]CCN2CC[NH2+]CC2)cnn1C ZINC000903918666 584904713 /nfs/dbraw/zinc/90/47/13/584904713.db2.gz DZMQRIAWIVCEOS-CQSZACIVSA-N 3 0 294.447 -0.659 20 0 CBADRP CCN(CC[NH3+])Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903934181 584904879 /nfs/dbraw/zinc/90/48/79/584904879.db2.gz CYEPDJQSWOVMNQ-LLVKDONJSA-N 2 0 252.366 -0.017 20 0 CBADRP CC(=O)NCC[N@@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903932939 584904965 /nfs/dbraw/zinc/90/49/65/584904965.db2.gz XRYZMIKMIULGJU-CYBMUJFWSA-N 2 0 281.404 -0.086 20 0 CBADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+](CCCO)C1 ZINC000970746393 617185429 /nfs/dbraw/zinc/18/54/29/617185429.db2.gz LVUWEENETXVYSZ-GFCCVEGCSA-N 2 0 281.400 -0.099 20 0 CBADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCO)C1)[NH+](C)C ZINC000968989798 614074769 /nfs/dbraw/zinc/07/47/69/614074769.db2.gz MPALVSQHUSUERW-NEPJUHHUSA-N 2 0 257.378 -0.245 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000968903896 614101465 /nfs/dbraw/zinc/10/14/65/614101465.db2.gz AHZPODLVPPATCD-CHWSQXEVSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CC(N)=O ZINC000939399495 614432210 /nfs/dbraw/zinc/43/22/10/614432210.db2.gz XYSHFOJVZIAOHB-CHWSQXEVSA-N 2 0 296.415 -0.360 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000970799469 615110658 /nfs/dbraw/zinc/11/06/58/615110658.db2.gz DSSSJUXUEHRUHE-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1)[NH+](C)C ZINC000969985909 615374997 /nfs/dbraw/zinc/37/49/97/615374997.db2.gz ODLZMICSSPVUSO-OLZOCXBDSA-N 2 0 294.403 -0.191 20 0 CBADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC000968904372 615537398 /nfs/dbraw/zinc/53/73/98/615537398.db2.gz QXWZDSXWUSRETF-VXGBXAGGSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CCO)C1)[NH+](C)C ZINC000971780470 615603575 /nfs/dbraw/zinc/60/35/75/615603575.db2.gz ZTVNOVHTVAJSBS-NWDGAFQWSA-N 2 0 257.378 -0.148 20 0 CBADRP CN(CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000971204703 616055866 /nfs/dbraw/zinc/05/58/66/616055866.db2.gz NQVSLGDJJLACPJ-WDEREUQCSA-N 2 0 268.361 -0.901 20 0 CBADRP C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC000971816550 616111002 /nfs/dbraw/zinc/11/10/02/616111002.db2.gz BMASLHQNTZRHEB-QWHCGFSZSA-N 2 0 292.383 -0.030 20 0 CBADRP C[N@H+](CCO)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971801278 616113026 /nfs/dbraw/zinc/11/30/26/616113026.db2.gz OVAOQSNXTDLKPQ-STQMWFEESA-N 2 0 269.389 -0.004 20 0 CBADRP C[N@H+](CCO)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972235975 616166690 /nfs/dbraw/zinc/16/66/90/616166690.db2.gz UJGYUPDAEJPPLL-CYBMUJFWSA-N 2 0 269.389 -0.147 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](CCO)CC1 ZINC000981459145 616179382 /nfs/dbraw/zinc/17/93/82/616179382.db2.gz OHVAIDYRXFMKBL-CYBMUJFWSA-N 2 0 269.389 -0.003 20 0 CBADRP C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971801274 616183373 /nfs/dbraw/zinc/18/33/73/616183373.db2.gz OVAOQSNXTDLKPQ-OLZOCXBDSA-N 2 0 269.389 -0.004 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC000969595022 616192039 /nfs/dbraw/zinc/19/20/39/616192039.db2.gz JRZATZYEZZHPTA-FRRDWIJNSA-N 2 0 294.399 -0.450 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21 ZINC000977923976 616193653 /nfs/dbraw/zinc/19/36/53/616193653.db2.gz VAUCRUIFXXTSCC-YIYPIFLZSA-N 2 0 281.400 -0.243 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC000983326450 616212317 /nfs/dbraw/zinc/21/23/17/616212317.db2.gz PTMYRLWEQOHSPO-CYDGBPFRSA-N 2 0 294.399 -0.547 20 0 CBADRP CN1CCO[C@@H](C(=O)N[C@H]2C[N@H+](CCO)CC2(C)C)C1 ZINC000972991275 616253261 /nfs/dbraw/zinc/25/32/61/616253261.db2.gz HQOQZLNRANXLHX-NEPJUHHUSA-N 2 0 285.388 -0.864 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCC[NH+](CCO)C3)C1 ZINC000982150672 616356926 /nfs/dbraw/zinc/35/69/26/616356926.db2.gz PLUKJKYCOWDOLS-ZDUSSCGKSA-N 2 0 281.400 -0.145 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@]3(C2)CN(CCO)CCO3)C1 ZINC000972672890 616365464 /nfs/dbraw/zinc/36/54/64/616365464.db2.gz BPYTVVRRNFQRFE-ZFWWWQNUSA-N 2 0 297.399 -0.766 20 0 CBADRP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000962555540 616467277 /nfs/dbraw/zinc/46/72/77/616467277.db2.gz QDLCOFWVMZTYCY-NDBYEHHHSA-N 2 0 267.373 -0.369 20 0 CBADRP CC(C)(CNS(C)(=O)=O)[NH2+]CC1CC[NH2+]CC1 ZINC000708362698 656192736 /nfs/dbraw/zinc/19/27/36/656192736.db2.gz YCHUAENFZSEZDA-UHFFFAOYSA-N 2 0 263.407 -0.097 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)C[C@H]1CC[NH3+] ZINC000923674205 658394576 /nfs/dbraw/zinc/39/45/76/658394576.db2.gz OOMNWELWYCAGAI-GHMZBOCLSA-N 2 0 276.406 -0.947 20 0 CBADRP CCN([C@H]1CC[NH2+]C1)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923673767 658394603 /nfs/dbraw/zinc/39/46/03/658394603.db2.gz LDOMYLADOAVAJI-WDEREUQCSA-N 2 0 261.391 -0.248 20 0 CBADRP [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)C1C[NH2+]C1)C2 ZINC000923673957 658394903 /nfs/dbraw/zinc/39/49/03/658394903.db2.gz IQVBLKSDRHAMPH-UHFFFAOYSA-N 2 0 288.398 -0.739 20 0 CBADRP C[C@@H]1CCCC[C@@H]1N(C)C(=O)CNC(C[NH3+])C[NH3+] ZINC000923351299 658224480 /nfs/dbraw/zinc/22/44/80/658224480.db2.gz HBVWIGSXCIDQLK-PWSUYJOCSA-N 2 0 256.394 -0.101 20 0 CBADRP Cc1ccccc1CCNC(=O)CNC(C[NH3+])C[NH3+] ZINC000923351093 658224592 /nfs/dbraw/zinc/22/45/92/658224592.db2.gz HBNCBSJNHQYLIF-UHFFFAOYSA-N 2 0 264.373 -0.471 20 0 CBADRP Cc1ccc(N2CC[C@@H](NC(C[NH3+])C[NH3+])C2=O)cc1 ZINC000923351072 658225290 /nfs/dbraw/zinc/22/52/90/658225290.db2.gz GFDBGSKPDLTPLZ-CYBMUJFWSA-N 2 0 262.357 -0.024 20 0 CBADRP [NH3+]CC(C[NH3+])NCC(=O)NCCc1c(F)cccc1F ZINC000923352494 658225470 /nfs/dbraw/zinc/22/54/70/658225470.db2.gz WDCRZLDAEYDHDS-UHFFFAOYSA-N 2 0 286.326 -0.501 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@H](n3ccnn3)C2)C1 ZINC000923381159 658244735 /nfs/dbraw/zinc/24/47/35/658244735.db2.gz FATRLNYKMMIVPI-BJDJZHNGSA-N 2 0 251.334 -0.234 20 0 CBADRP CNC(=O)[C@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)C(C)C ZINC000923379204 658245920 /nfs/dbraw/zinc/24/59/20/658245920.db2.gz NNKKMXKNVDLDAV-GHMZBOCLSA-N 2 0 255.362 -0.275 20 0 CBADRP CC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923378254 658247243 /nfs/dbraw/zinc/24/72/43/658247243.db2.gz TVHSRMOIEJOWSL-IHRRRGAJSA-N 2 0 296.415 -0.023 20 0 CBADRP Cn1nnc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)n1 ZINC000923453569 658285649 /nfs/dbraw/zinc/28/56/49/658285649.db2.gz YGFWZTKECNGBEN-SNVBAGLBSA-N 2 0 266.349 -0.460 20 0 CBADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@H]1CNCCO1)CC2 ZINC000923450982 658286726 /nfs/dbraw/zinc/28/67/26/658286726.db2.gz IZTSONGPWNOJFQ-CHWSQXEVSA-N 2 0 269.389 -0.195 20 0 CBADRP CNC(=O)NC(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923455390 658287498 /nfs/dbraw/zinc/28/74/98/658287498.db2.gz LISAMRBQXVXPED-SNVBAGLBSA-N 2 0 284.360 -0.728 20 0 CBADRP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923487223 658304171 /nfs/dbraw/zinc/30/41/71/658304171.db2.gz BCYDHZMWPPVDIR-WDEREUQCSA-N 2 0 286.376 -0.482 20 0 CBADRP [NH3+]CC[C@@H]1CC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000923485662 658305152 /nfs/dbraw/zinc/30/51/52/658305152.db2.gz KYFDAFDWIIMYIM-GFCCVEGCSA-N 2 0 255.362 -0.094 20 0 CBADRP NC(=O)C12CCC(CC1)[N@@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000923529266 658315913 /nfs/dbraw/zinc/31/59/13/658315913.db2.gz ASEKQSWVKAASCJ-UHFFFAOYSA-N 2 0 280.372 -0.709 20 0 CBADRP NC(=O)C12CCC(CC1)[N@@H+]2C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923529302 658316190 /nfs/dbraw/zinc/31/61/90/658316190.db2.gz CMDNKUUILUVNGE-CVZZAPKMSA-N 2 0 265.357 -0.153 20 0 CBADRP C[NH2+]C[C@H]1CCCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923562961 658328417 /nfs/dbraw/zinc/32/84/17/658328417.db2.gz GUHUPHPZYNPNKD-VXGBXAGGSA-N 2 0 275.418 0.000 20 0 CBADRP [NH3+]CCc1ccc(CNS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000923565333 658328913 /nfs/dbraw/zinc/32/89/13/658328913.db2.gz HDBYIKOSGCDNRY-UHFFFAOYSA-N 2 0 298.412 -0.573 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923572761 658334413 /nfs/dbraw/zinc/33/44/13/658334413.db2.gz LGTUTPINDDNLCW-WDEREUQCSA-N 2 0 276.406 -0.804 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923572614 658334588 /nfs/dbraw/zinc/33/45/88/658334588.db2.gz KEWXUEHQSMYNJM-AXFHLTTASA-N 2 0 261.391 -0.215 20 0 CBADRP C[NH2+]C[C@H]1CCCN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923572254 658334848 /nfs/dbraw/zinc/33/48/48/658334848.db2.gz CGYXPDLMGMABPF-GHMZBOCLSA-N 2 0 261.391 -0.248 20 0 CBADRP CC1(C)C[NH2+]CCN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923572674 658335279 /nfs/dbraw/zinc/33/52/79/658335279.db2.gz KUXRLFBQTDQOPN-SNVBAGLBSA-N 2 0 261.391 -0.248 20 0 CBADRP C[C@H]1C[C@H](N(C)S(=O)(=O)C2C[NH2+]C2)CC[N@@H+]1C ZINC000923617495 658356015 /nfs/dbraw/zinc/35/60/15/658356015.db2.gz DHONMGXSXGYISA-VHSXEESVSA-N 2 0 261.391 -0.298 20 0 CBADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)C1C[NH2+]C1 ZINC000923622399 658358638 /nfs/dbraw/zinc/35/86/38/658358638.db2.gz XOWFGOBFVVEDFQ-MNOVXSKESA-N 2 0 273.402 -0.153 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923639275 658368590 /nfs/dbraw/zinc/36/85/90/658368590.db2.gz JATLXWXCKZETRO-HBNTYKKESA-N 2 0 261.391 -0.250 20 0 CBADRP C[C@]1(C[NH3+])CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923639221 658368856 /nfs/dbraw/zinc/36/88/56/658368856.db2.gz HVBFGPTZYSZTEQ-GHMZBOCLSA-N 2 0 261.391 -0.261 20 0 CBADRP C[C@H](CCCC[NH3+])NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923640780 658371419 /nfs/dbraw/zinc/37/14/19/658371419.db2.gz MPLBOBDRSMTGFL-SNVBAGLBSA-N 2 0 264.395 -0.757 20 0 CBADRP CCN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)C1C[NH2+]C1 ZINC000923655709 658381621 /nfs/dbraw/zinc/38/16/21/658381621.db2.gz MLRCYKCUKHCZCF-SNVBAGLBSA-N 2 0 261.391 -0.248 20 0 CBADRP O=S(=O)(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C1C[NH2+]C1 ZINC000923665441 658387132 /nfs/dbraw/zinc/38/71/32/658387132.db2.gz DOXPQJFFNLERJW-ILWJIGKKSA-N 2 0 259.375 -0.592 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000923665123 658387715 /nfs/dbraw/zinc/38/77/15/658387715.db2.gz BUOKGLLELMQOSY-VXGBXAGGSA-N 2 0 288.417 -0.838 20 0 CBADRP C[C@H]1[C@@H](NC(=O)NCC2(O)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000925326624 658826050 /nfs/dbraw/zinc/82/60/50/658826050.db2.gz YWXHLEUVENVWNV-RYUDHWBXSA-N 2 0 284.404 -0.165 20 0 CBADRP COC(=O)c1cn(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)nn1 ZINC000925667357 658864637 /nfs/dbraw/zinc/86/46/37/658864637.db2.gz QNHMYPAKPYFNEX-QWRGUYRKSA-N 2 0 279.344 -0.076 20 0 CBADRP COC(=O)c1cn(CCN[C@@H]2CCC[NH2+][C@@H]2C)nn1 ZINC000925665343 658864680 /nfs/dbraw/zinc/86/46/80/658864680.db2.gz DLGLIYJHICGFJY-NXEZZACHSA-N 2 0 267.333 -0.205 20 0 CBADRP OCCC[N@@H+]1CCC[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925678127 658865149 /nfs/dbraw/zinc/86/51/49/658865149.db2.gz CNERUWYWVVMZOE-CHWSQXEVSA-N 2 0 257.378 -0.589 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000925788394 658872216 /nfs/dbraw/zinc/87/22/16/658872216.db2.gz IFYWKJJFLGTVKR-AVGNSLFASA-N 2 0 289.445 -0.130 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NCC[C@H]1CNCCS1(=O)=O ZINC000925792250 658872221 /nfs/dbraw/zinc/87/22/21/658872221.db2.gz VKVSBOPOUPRYGN-SRVKXCTJSA-N 2 0 275.418 -0.507 20 0 CBADRP CC1(C)C[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)C[C@@H]([NH3+])C1 ZINC000925855613 658874816 /nfs/dbraw/zinc/87/48/16/658874816.db2.gz DBDWYZFZVMTBEH-OUAUKWLOSA-N 2 0 278.418 -0.113 20 0 CBADRP C[C@@H](CC(N)=O)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925851343 658874901 /nfs/dbraw/zinc/87/49/01/658874901.db2.gz XRLLPKKCEQWJLD-LBPRGKRZSA-N 2 0 256.394 -0.085 20 0 CBADRP CCC(C)(C(=O)NCC[NH+](C)C)C(=O)NCC[NH+](C)C ZINC000929163156 659095926 /nfs/dbraw/zinc/09/59/26/659095926.db2.gz YNRDDPLHARGTOR-UHFFFAOYSA-N 2 0 286.420 -0.242 20 0 CBADRP C[C@@H](O)[C@H](O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000930501425 659297181 /nfs/dbraw/zinc/29/71/81/659297181.db2.gz BJAPFOMASGCFIW-CHWSQXEVSA-N 2 0 261.410 -0.457 20 0 CBADRP CCC[NH+]1CCC(NS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000040860457 656006232 /nfs/dbraw/zinc/00/62/32/656006232.db2.gz YKVBHPZDPLSKEW-UHFFFAOYSA-N 2 0 290.433 -0.400 20 0 CBADRP C[NH+]1CCC(C[NH2+]CC(=O)N2CCOCC2)CC1 ZINC000044518352 656010468 /nfs/dbraw/zinc/01/04/68/656010468.db2.gz SNAAJKZMWYSLNP-UHFFFAOYSA-N 2 0 255.362 -0.223 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C[NH3+])CC2)CCO1 ZINC000044513511 656010569 /nfs/dbraw/zinc/01/05/69/656010569.db2.gz GEZWBOQTDSCXAA-LLVKDONJSA-N 2 0 255.362 -0.096 20 0 CBADRP C[N@H+](CCNS(=O)(=O)CC1CC[NH2+]CC1)C1CC1 ZINC000062010815 656032779 /nfs/dbraw/zinc/03/27/79/656032779.db2.gz JFJZIXQZZXPMHF-UHFFFAOYSA-N 2 0 275.418 0.000 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000062966184 656033327 /nfs/dbraw/zinc/03/33/27/656033327.db2.gz NJBSYPXPOSPTTE-GFCCVEGCSA-N 2 0 290.433 -0.448 20 0 CBADRP COCCNC(=[NH2+])NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000066246630 656036375 /nfs/dbraw/zinc/03/63/75/656036375.db2.gz JORNZZASDCAXFO-GFCCVEGCSA-N 2 0 299.419 -0.520 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000068890080 656038456 /nfs/dbraw/zinc/03/84/56/656038456.db2.gz AIJARCWTQUZDEO-IUCAKERBSA-N 2 0 283.294 -0.304 20 0 CBADRP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070171073 656039637 /nfs/dbraw/zinc/03/96/37/656039637.db2.gz QVSKHJVRYFKSDT-JTQLQIEISA-N 2 0 256.350 -0.107 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)[C@@H]1CCCCNC1=O ZINC000071150174 656041384 /nfs/dbraw/zinc/04/13/84/656041384.db2.gz WJNYOKYSCBPIDI-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP CS(=O)(=O)N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091542696 656058233 /nfs/dbraw/zinc/05/82/33/656058233.db2.gz FIGCHFTXMUPJOQ-MNOVXSKESA-N 2 0 261.391 -0.309 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668490 656058821 /nfs/dbraw/zinc/05/88/21/656058821.db2.gz JYVIMTXHBCVCQM-UPJWGTAASA-N 2 0 283.372 -0.656 20 0 CBADRP O=C(COC1CC[NH2+]CC1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091667900 656058975 /nfs/dbraw/zinc/05/89/75/656058975.db2.gz OJVFDJVHCRVYOU-OCCSQVGLSA-N 2 0 297.399 -0.266 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000091668055 656059224 /nfs/dbraw/zinc/05/92/24/656059224.db2.gz YGXYLVYDNANMPE-AVGNSLFASA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(C[NH2+]C1CC1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668838 656059275 /nfs/dbraw/zinc/05/92/75/656059275.db2.gz YNUIWWWBAQKRCL-NEPJUHHUSA-N 2 0 253.346 -0.282 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CCC[NH2+]1 ZINC000091668348 656059286 /nfs/dbraw/zinc/05/92/86/656059286.db2.gz PZKHANZTGZKQJC-GRYCIOLGSA-N 2 0 253.346 -0.282 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H](C[NH3+])C2)CC1=O ZINC000178555537 656089248 /nfs/dbraw/zinc/08/92/48/656089248.db2.gz GYFRXJZFLBUDGZ-NWDGAFQWSA-N 2 0 282.388 -0.796 20 0 CBADRP CCOC[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000225865958 656106568 /nfs/dbraw/zinc/10/65/68/656106568.db2.gz GWFXGHIAGSSXCS-NEPJUHHUSA-N 2 0 273.377 -0.829 20 0 CBADRP CCS(=O)(=O)CC[NH2+]CCOCC[NH+](C)C ZINC000233820685 656114152 /nfs/dbraw/zinc/11/41/52/656114152.db2.gz RFSKHKBVZTUENZ-UHFFFAOYSA-N 2 0 252.380 -0.411 20 0 CBADRP COC[C@H](C)OC[C@@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000234697142 656115007 /nfs/dbraw/zinc/11/50/07/656115007.db2.gz UZKRVXFBSGSFHX-KBPBESRZSA-N 2 0 289.420 -0.764 20 0 CBADRP COCC[NH2+]CC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250180548 656122032 /nfs/dbraw/zinc/12/20/32/656122032.db2.gz VBKNHXZWDMCLJG-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252600330 656122925 /nfs/dbraw/zinc/12/29/25/656122925.db2.gz LMIDITYHLLQYSN-RVMXOQNASA-N 2 0 267.373 -0.036 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CCC[NH2+]1 ZINC000252552054 656122967 /nfs/dbraw/zinc/12/29/67/656122967.db2.gz PZKHANZTGZKQJC-QJPTWQEYSA-N 2 0 253.346 -0.282 20 0 CBADRP CC(C)[NH2+]CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252554297 656123395 /nfs/dbraw/zinc/12/33/95/656123395.db2.gz ROVZDHFQGUTCGL-NWDGAFQWSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH2+]C1 ZINC000252539986 656123428 /nfs/dbraw/zinc/12/34/28/656123428.db2.gz CBQORJXYPGISQS-OBJOEFQTSA-N 2 0 267.373 -0.035 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000262041245 656128780 /nfs/dbraw/zinc/12/87/80/656128780.db2.gz HQDHMZXNPGVPQU-LOWVWBTDSA-N 2 0 284.404 -0.280 20 0 CBADRP CCCN(CCC(=O)N1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000262165917 656129384 /nfs/dbraw/zinc/12/93/84/656129384.db2.gz QBSUQYVNCANHSU-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP O=C(CC[N@@H+]1CC[C@@]2(CCOC2)C1)N1CC[NH2+]CC1 ZINC000262211912 656129397 /nfs/dbraw/zinc/12/93/97/656129397.db2.gz TVQCZZSZNCVBBN-CQSZACIVSA-N 2 0 267.373 -0.079 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](C)[C@@H](C)C1 ZINC000310849831 656144089 /nfs/dbraw/zinc/14/40/89/656144089.db2.gz IWDVXSKREPNADZ-QWHCGFSZSA-N 2 0 259.394 -0.439 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000310959579 656144959 /nfs/dbraw/zinc/14/49/59/656144959.db2.gz PMLDESHFRAFOOI-RYUDHWBXSA-N 2 0 255.362 -0.097 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H]([NH3+])C[C@H]1C ZINC000311016202 656144964 /nfs/dbraw/zinc/14/49/64/656144964.db2.gz KUJUDAKTQPRHEE-AGIUHOORSA-N 2 0 259.394 -0.263 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000311972169 656146387 /nfs/dbraw/zinc/14/63/87/656146387.db2.gz BIXJAZQRVLOYMD-IHRRRGAJSA-N 2 0 271.405 -0.391 20 0 CBADRP COCCN(C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000313080199 656147752 /nfs/dbraw/zinc/14/77/52/656147752.db2.gz LGGDWXKNUBOUCX-AJNGGQMLSA-N 2 0 285.432 -0.015 20 0 CBADRP COCCN(C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000313080221 656147833 /nfs/dbraw/zinc/14/78/33/656147833.db2.gz LGGDWXKNUBOUCX-ZQDZILKHSA-N 2 0 285.432 -0.015 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)C1CC[NH+](C)CC1 ZINC000347789578 656156934 /nfs/dbraw/zinc/15/69/34/656156934.db2.gz BGFXSKLCVMWISJ-UHFFFAOYSA-N 2 0 257.378 -0.241 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419131294 656166913 /nfs/dbraw/zinc/16/69/13/656166913.db2.gz CHXOBNGRDSGKHT-WFASDCNBSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419131291 656167133 /nfs/dbraw/zinc/16/71/33/656167133.db2.gz CHXOBNGRDSGKHT-IUODEOHRSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000700304214 656175508 /nfs/dbraw/zinc/17/55/08/656175508.db2.gz FHQMCPMUGOJYSM-NWDGAFQWSA-N 2 0 275.418 -0.191 20 0 CBADRP CC(C)C[NH+]1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000702419868 656180834 /nfs/dbraw/zinc/18/08/34/656180834.db2.gz IRQBAEKBKIQXHW-LBPRGKRZSA-N 2 0 256.394 -0.325 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000702427200 656181312 /nfs/dbraw/zinc/18/13/12/656181312.db2.gz FHEWPSFFLIYPNF-NEPJUHHUSA-N 2 0 256.394 -0.182 20 0 CBADRP CC(C)C[C@H](CNC(=O)[C@@H](N)C[NH+](C)C)[NH+](C)C ZINC000702431432 656181511 /nfs/dbraw/zinc/18/15/11/656181511.db2.gz TVKNSXJQUNWOMW-NEPJUHHUSA-N 2 0 258.410 -0.032 20 0 CBADRP CS(=O)(=O)N[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000702951265 656182587 /nfs/dbraw/zinc/18/25/87/656182587.db2.gz BATYYCMSZAVHOJ-OUAUKWLOSA-N 2 0 261.391 -0.263 20 0 CBADRP CC[NH2+]CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000705919952 656187533 /nfs/dbraw/zinc/18/75/33/656187533.db2.gz WLYUPKIMWAEUHW-CHWSQXEVSA-N 3 0 270.421 -0.206 20 0 CBADRP C[NH2+]CCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000705918023 656187644 /nfs/dbraw/zinc/18/76/44/656187644.db2.gz LVMMRVNBHQJZSB-CHWSQXEVSA-N 3 0 270.421 -0.206 20 0 CBADRP OCC[NH2+][C@H]1CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000708591030 656194071 /nfs/dbraw/zinc/19/40/71/656194071.db2.gz PRAOONJWSNLJSZ-KBPBESRZSA-N 2 0 271.405 -0.511 20 0 CBADRP C[NH+]1CCC2(CCN(C(=O)CNC(=O)C[NH3+])CC2)CC1 ZINC000709328557 656195671 /nfs/dbraw/zinc/19/56/71/656195671.db2.gz IGGJHURVTMTXRI-UHFFFAOYSA-N 2 0 282.388 -0.604 20 0 CBADRP C[NH+](C)CC1(O)CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000710593931 656198794 /nfs/dbraw/zinc/19/87/94/656198794.db2.gz CUCDMFOLZPWENH-LLVKDONJSA-N 2 0 255.362 -0.347 20 0 CBADRP C[NH+](C)CC1(O)CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000710658127 656199180 /nfs/dbraw/zinc/19/91/80/656199180.db2.gz OMXSFPAODGNTSE-UHFFFAOYSA-N 2 0 269.389 -0.003 20 0 CBADRP CN(C)S(=O)(=O)CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710671339 656199255 /nfs/dbraw/zinc/19/92/55/656199255.db2.gz HQPNXJKXAJZICH-UHFFFAOYSA-N 2 0 293.433 -0.734 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CCC(O)(C[NH+](C)C)CC1 ZINC000710663323 656199279 /nfs/dbraw/zinc/19/92/79/656199279.db2.gz DGKQFGKGWHJVAO-ZDUSSCGKSA-N 2 0 273.421 -0.313 20 0 CBADRP COC[C@]1(C(=O)NCC[C@H](C)[NH+](C)C)C[NH2+]CCO1 ZINC000710704852 656200016 /nfs/dbraw/zinc/20/00/16/656200016.db2.gz WYKASHKBCUTYOA-AAEUAGOBSA-N 2 0 273.377 -0.552 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H](C)[NH+](C)C)C[NH2+]CCO1 ZINC000710711160 656200127 /nfs/dbraw/zinc/20/01/27/656200127.db2.gz NHSFZKYQELAYPB-CMPLNLGQSA-N 2 0 259.350 -0.942 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H]2CCC[N@@H+]2C)C[NH2+]CCO1 ZINC000710756105 656200950 /nfs/dbraw/zinc/20/09/50/656200950.db2.gz UZHZWZKLMYBHDV-AAEUAGOBSA-N 2 0 271.361 -0.798 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H]2CCC[N@H+](C)C2)C[NH2+]CCO1 ZINC000710755548 656201074 /nfs/dbraw/zinc/20/10/74/656201074.db2.gz PTZIWTJKWSDPRE-DGCLKSJQSA-N 2 0 271.361 -0.798 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710784756 656201474 /nfs/dbraw/zinc/20/14/74/656201474.db2.gz TUFAFQNKBOBBGS-GXTWGEPZSA-N 2 0 285.388 -0.408 20 0 CBADRP COC[C@]1(C(=O)NCC[N@H+](C)C(C)C)C[NH2+]CCO1 ZINC000710839519 656204537 /nfs/dbraw/zinc/20/45/37/656204537.db2.gz RNDOFZIQWUSJEP-ZDUSSCGKSA-N 2 0 273.377 -0.552 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711318199 656207498 /nfs/dbraw/zinc/20/74/98/656207498.db2.gz UNFYQIMRQXEGMA-VXGBXAGGSA-N 2 0 268.405 -0.406 20 0 CBADRP C[N@@H+]1CCN(S(=O)(=O)N2CC[NH2+]CC2)CCC1(C)C ZINC000712625541 656210731 /nfs/dbraw/zinc/21/07/31/656210731.db2.gz KZPJHMBXFXVOTP-UHFFFAOYSA-N 2 0 290.433 -0.448 20 0 CBADRP C[N@@H+]1CCN(C(=O)c2cn(CC[NH3+])nn2)CCC1(C)C ZINC000712691085 656211104 /nfs/dbraw/zinc/21/11/04/656211104.db2.gz RPMBOFWNJJVFOH-UHFFFAOYSA-N 2 0 280.376 -0.207 20 0 CBADRP C[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CCC1(C)C ZINC000712669328 656211158 /nfs/dbraw/zinc/21/11/58/656211158.db2.gz BAJMKEZZKKOKDC-NSHDSACASA-N 2 0 255.362 -0.083 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1(F)F ZINC000715094851 656218827 /nfs/dbraw/zinc/21/88/27/656218827.db2.gz PFLNIGNLIJXKGM-LNFKQOIKSA-N 2 0 289.326 -0.194 20 0 CBADRP CC(C)[N@H+](C)CCNC(=O)c1c(C[NH3+])cnn1C ZINC000719258317 656234887 /nfs/dbraw/zinc/23/48/87/656234887.db2.gz YEDVWOHTNWAWPD-UHFFFAOYSA-N 2 0 253.350 -0.051 20 0 CBADRP C[C@@H](CCNC(=O)c1c(C[NH3+])cnn1C)[NH+](C)C ZINC000719265798 656235162 /nfs/dbraw/zinc/23/51/62/656235162.db2.gz PBSXSBTWSTXGPN-VIFPVBQESA-N 2 0 253.350 -0.051 20 0 CBADRP [NH3+]Cc1ncc(C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)cn1 ZINC000877386427 656246660 /nfs/dbraw/zinc/24/66/60/656246660.db2.gz RATRSPYLBJXGSN-ZWNOBZJWSA-N 2 0 261.329 -0.050 20 0 CBADRP CCN(C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CC[NH2+]C1 ZINC000884774062 656254978 /nfs/dbraw/zinc/25/49/78/656254978.db2.gz BEDPGDLVHYIFKS-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000890066657 656270009 /nfs/dbraw/zinc/27/00/09/656270009.db2.gz XDAGCVLMTMDWQK-YPMHNXCESA-N 2 0 270.377 -0.554 20 0 CBADRP CN1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)[C@@H](C[NH3+])C1 ZINC000892436759 656271346 /nfs/dbraw/zinc/27/13/46/656271346.db2.gz ZMBQXXLDIDIXQN-AVGNSLFASA-N 2 0 283.420 -0.212 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000896621693 656291573 /nfs/dbraw/zinc/29/15/73/656291573.db2.gz XBAJOTIDLSINMH-HZSPNIEDSA-N 2 0 296.415 -0.069 20 0 CBADRP O=C1NCC[C@H]1N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903506564 656321889 /nfs/dbraw/zinc/32/18/89/656321889.db2.gz AXNARTNAQMLIOO-HZSPNIEDSA-N 2 0 278.400 -0.225 20 0 CBADRP CNC(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507402 656322256 /nfs/dbraw/zinc/32/22/56/656322256.db2.gz YHGFFHZTFXMOEO-BETUJISGSA-N 2 0 266.389 -0.367 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904300107 656324090 /nfs/dbraw/zinc/32/40/90/656324090.db2.gz WETGYHOTFGFACQ-UTUOFQBUSA-N 3 0 254.378 -0.489 20 0 CBADRP Cn1cc(N2CC[C@@H]([NH2+]C[C@H]3C[C@@H]([NH3+])C3)C2=O)cn1 ZINC000904363157 656325502 /nfs/dbraw/zinc/32/55/02/656325502.db2.gz CXNVAEIQCJSLAO-JFGNBEQYSA-N 2 0 263.345 -0.148 20 0 CBADRP CCN(C)C(=O)[C@H](C)[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904368843 656325797 /nfs/dbraw/zinc/32/57/97/656325797.db2.gz OBTKSXJOFQTVKQ-NSHDSACASA-N 2 0 256.394 -0.134 20 0 CBADRP c1cc(N2CC[NH2+]CC2)oc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904395754 656325848 /nfs/dbraw/zinc/32/58/48/656325848.db2.gz ATROAMMZWZAHQO-UHFFFAOYSA-N 3 0 293.415 -0.316 20 0 CBADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000904381269 656325957 /nfs/dbraw/zinc/32/59/57/656325957.db2.gz RZNXJHUWTKJURL-BETUJISGSA-N 3 0 281.404 -0.634 20 0 CBADRP [NH3+]CCN1CCC([NH2+]CC(=O)NCC2CC2)CC1 ZINC000904368387 656326173 /nfs/dbraw/zinc/32/61/73/656326173.db2.gz QXCJUQXUPZDDOB-UHFFFAOYSA-N 2 0 254.378 -0.475 20 0 CBADRP CN(C)c1ncc(CN2CC[NH2+]CC[NH2+]CC2)cn1 ZINC000904397880 656326627 /nfs/dbraw/zinc/32/66/27/656326627.db2.gz JNHLCTIHRLWUHE-UHFFFAOYSA-N 2 0 264.377 -0.463 20 0 CBADRP NC(=O)c1csc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000904398138 656327105 /nfs/dbraw/zinc/32/71/05/656327105.db2.gz LRNZLCNQWWUQLZ-UHFFFAOYSA-N 2 0 268.386 -0.158 20 0 CBADRP C[C@@H]1C[C@@H](C[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)CC[NH2+]1 ZINC000904433923 656327612 /nfs/dbraw/zinc/32/76/12/656327612.db2.gz QWNTYEZOHNTVMV-GRYCIOLGSA-N 2 0 288.417 -0.791 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000904958757 656330446 /nfs/dbraw/zinc/33/04/46/656330446.db2.gz MQIZAUHWZCTULP-COPLHBTASA-N 2 0 282.388 -0.798 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000904958237 656330753 /nfs/dbraw/zinc/33/07/53/656330753.db2.gz IPEVPTWVXJBWRZ-LLVKDONJSA-N 2 0 286.420 -0.162 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC000904972555 656331522 /nfs/dbraw/zinc/33/15/22/656331522.db2.gz LNIFAGJNQNZCQC-WFASDCNBSA-N 2 0 296.415 -0.264 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000905016351 656334122 /nfs/dbraw/zinc/33/41/22/656334122.db2.gz ZLVBZBRQOSUKJX-CQSZACIVSA-N 2 0 282.388 -0.639 20 0 CBADRP COCC[N@H+](C)CCC[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905036307 656335779 /nfs/dbraw/zinc/33/57/79/656335779.db2.gz QYQSQBYWJJKUGV-LBPRGKRZSA-N 2 0 260.378 -0.180 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905094522 656337916 /nfs/dbraw/zinc/33/79/16/656337916.db2.gz GFLJCTOWDIYLJK-UONOGXRCSA-N 2 0 285.432 -0.122 20 0 CBADRP C[C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000905330517 656349360 /nfs/dbraw/zinc/34/93/60/656349360.db2.gz TWPXGLQWILPELV-CMPLNLGQSA-N 2 0 275.418 -0.015 20 0 CBADRP [NH3+]C[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)C1CC1 ZINC000905331248 656349918 /nfs/dbraw/zinc/34/99/18/656349918.db2.gz ZKDPNRNPXSLQMU-LLVKDONJSA-N 2 0 261.391 -0.357 20 0 CBADRP CN(C)C[C@H](O)C[NH2+]C[C@H](O)C[C@@H](O)c1ccccc1 ZINC000905345098 656351320 /nfs/dbraw/zinc/35/13/20/656351320.db2.gz LIAKGMSFVCPUJO-RBSFLKMASA-N 2 0 282.384 -0.017 20 0 CBADRP [NH3+][C@@H](CNS(=O)(=O)CC1CC[NH2+]CC1)C1CC1 ZINC000905344376 656351443 /nfs/dbraw/zinc/35/14/43/656351443.db2.gz YPUJPXRYQFQHRX-NSHDSACASA-N 2 0 261.391 -0.357 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905344998 656351492 /nfs/dbraw/zinc/35/14/92/656351492.db2.gz SUAHIZKTAQBWDC-CMPLNLGQSA-N 2 0 275.418 -0.097 20 0 CBADRP C[NH2+]C[C@H](O)CNC[C@H](O)C[C@@H](O)c1ccccc1 ZINC000905355054 656352779 /nfs/dbraw/zinc/35/27/79/656352779.db2.gz RJEUECDWNVTWIL-HZSPNIEDSA-N 2 0 268.357 -0.359 20 0 CBADRP CC1(C)[NH2+]CC[C@@H]1NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000905356380 656353071 /nfs/dbraw/zinc/35/30/71/656353071.db2.gz ATMFUENTUZTVFN-UWVGGRQHSA-N 2 0 277.390 -0.965 20 0 CBADRP CC1(C)CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000905362109 656353790 /nfs/dbraw/zinc/35/37/90/656353790.db2.gz LSGQTEXWHIMTSF-LLVKDONJSA-N 2 0 275.418 -0.015 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000905491824 656360085 /nfs/dbraw/zinc/36/00/85/656360085.db2.gz MSTHSNMITJVNIC-GRYCIOLGSA-N 2 0 256.346 -0.158 20 0 CBADRP CCN1CCC[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1=O ZINC000905549818 656361252 /nfs/dbraw/zinc/36/12/52/656361252.db2.gz HCQVCGLJBPWRJP-UONOGXRCSA-N 2 0 298.431 -0.805 20 0 CBADRP CCC[C@H](O)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000905585820 656362723 /nfs/dbraw/zinc/36/27/23/656362723.db2.gz BIKONYAPNNZQQT-KBPBESRZSA-N 2 0 273.421 -0.265 20 0 CBADRP Cn1nnc2c1C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CC2 ZINC000905633956 656364266 /nfs/dbraw/zinc/36/42/66/656364266.db2.gz OYJVVBXYKDJYAH-NEPJUHHUSA-N 2 0 279.388 -0.281 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NC[C@H](C2CC2)[NH+](C)C)C1 ZINC000906339446 656385740 /nfs/dbraw/zinc/38/57/40/656385740.db2.gz UFSDDYWKQFMPHE-CQSZACIVSA-N 2 0 282.432 -0.064 20 0 CBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906646637 656395581 /nfs/dbraw/zinc/39/55/81/656395581.db2.gz USMYBFAAEAAMTL-NSHDSACASA-N 2 0 276.340 -0.096 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000996517077 656417632 /nfs/dbraw/zinc/41/76/32/656417632.db2.gz DEFOMPVJKWXMER-NEPJUHHUSA-N 2 0 296.415 -0.360 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000996614398 656446725 /nfs/dbraw/zinc/44/67/25/656446725.db2.gz NCBVPEOCHISPKC-MNOVXSKESA-N 2 0 282.388 -0.750 20 0 CBADRP O=C([C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]CCO)CC1 ZINC000996619010 656447009 /nfs/dbraw/zinc/44/70/09/656447009.db2.gz JCUPSFNNIBPOKO-KGLIPLIRSA-N 2 0 297.399 -0.578 20 0 CBADRP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]CCO ZINC000996612495 656447077 /nfs/dbraw/zinc/44/70/77/656447077.db2.gz RCRVDPMHAJSPMG-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000996610792 656447371 /nfs/dbraw/zinc/44/73/71/656447371.db2.gz KNKOKGMNNXWRPB-VXGBXAGGSA-N 2 0 269.389 -0.243 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]CC(N)=O)CC1)C1CC1 ZINC000996680721 656452194 /nfs/dbraw/zinc/45/21/94/656452194.db2.gz UOSNBNJKNCYEMO-CYBMUJFWSA-N 2 0 282.388 -0.608 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996692800 656452978 /nfs/dbraw/zinc/45/29/78/656452978.db2.gz YNNJAGNPDHQBIY-CYBMUJFWSA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996692801 656453712 /nfs/dbraw/zinc/45/37/12/656453712.db2.gz YNNJAGNPDHQBIY-ZDUSSCGKSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CCO)CC1 ZINC000997009934 656463841 /nfs/dbraw/zinc/46/38/41/656463841.db2.gz RGGCLMVWXSDNOX-WCQYABFASA-N 2 0 269.389 -0.243 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NCC[NH+]2CCC2)C1 ZINC000907107440 656468891 /nfs/dbraw/zinc/46/88/91/656468891.db2.gz SXKPETMUXFVGKY-UHFFFAOYSA-N 2 0 254.378 -0.698 20 0 CBADRP Cc1nc[nH]c1CC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997221053 656469131 /nfs/dbraw/zinc/46/91/31/656469131.db2.gz JRSHHWZIUZQKPV-UHFFFAOYSA-N 2 0 279.344 -0.673 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC000997300718 656472466 /nfs/dbraw/zinc/47/24/66/656472466.db2.gz WNSXDPPHLMQSKZ-YPMHNXCESA-N 2 0 294.399 -0.593 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NCC2=CC[NH+](C)CC2)C1 ZINC000907226616 656476452 /nfs/dbraw/zinc/47/64/52/656476452.db2.gz IYUVHCGWHNXQNZ-UHFFFAOYSA-N 2 0 280.416 -0.142 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CC(N)=O)CC1 ZINC000997515137 656483246 /nfs/dbraw/zinc/48/32/46/656483246.db2.gz JAHVHJSMYDFKQQ-AAEUAGOBSA-N 2 0 296.415 -0.217 20 0 CBADRP Cn1cncc1CCNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000907308511 656485942 /nfs/dbraw/zinc/48/59/42/656485942.db2.gz UPKYKNKSWSFCOJ-AWEZNQCLSA-N 2 0 280.372 -0.074 20 0 CBADRP C[NH+](C)CCn1nccc1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000907389614 656499968 /nfs/dbraw/zinc/49/99/68/656499968.db2.gz RSYDEHJAGKGNIF-CQSZACIVSA-N 2 0 295.387 -0.759 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2CCC3(C[NH+](C)C3)C2)C1 ZINC000907762585 656572164 /nfs/dbraw/zinc/57/21/64/656572164.db2.gz GVMRGTBKZXSBSU-UHFFFAOYSA-N 2 0 280.416 -0.356 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)C[C@@]3(O)CCC[NH+](C)C3)C[C@H]2C1 ZINC000907805198 656581284 /nfs/dbraw/zinc/58/12/84/656581284.db2.gz PGUGHDIXBCJDCY-GUTXKFCHSA-N 2 0 281.400 -0.147 20 0 CBADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC([NH2+]CC(N)=O)C1 ZINC000998779876 656583285 /nfs/dbraw/zinc/58/32/85/656583285.db2.gz HUBMUBKWZDRAKZ-BPCQOVAHSA-N 2 0 294.399 -0.608 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC000998795567 656585669 /nfs/dbraw/zinc/58/56/69/656585669.db2.gz ITHYSLFUWGQGSS-HBIQZDMRSA-N 2 0 282.388 -0.609 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000999146467 656612942 /nfs/dbraw/zinc/61/29/42/656612942.db2.gz WJGGGTFIWSTEDC-QWHCGFSZSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCO)C1)C1CC1 ZINC000999374758 656626135 /nfs/dbraw/zinc/62/61/35/656626135.db2.gz RYQIAVVEORKDSI-QWHCGFSZSA-N 2 0 269.389 -0.101 20 0 CBADRP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC([NH2+]CC(N)=O)C1 ZINC000999403052 656628089 /nfs/dbraw/zinc/62/80/89/656628089.db2.gz MHOHIUGVRCJWPP-UHFFFAOYSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC000999404449 656628353 /nfs/dbraw/zinc/62/83/53/656628353.db2.gz WROLMDSUMVKQAB-UNXYVOJBSA-N 2 0 282.388 -0.465 20 0 CBADRP CCN1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)[C@@H](C)C1 ZINC000908136249 656653455 /nfs/dbraw/zinc/65/34/55/656653455.db2.gz BKDVZRCFDJORJH-OBJOEFQTSA-N 2 0 269.389 -0.006 20 0 CBADRP C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000908200268 656665532 /nfs/dbraw/zinc/66/55/32/656665532.db2.gz IDPLPMYGCNGFJO-GHMZBOCLSA-N 2 0 257.378 -0.102 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000908204395 656671335 /nfs/dbraw/zinc/67/13/35/656671335.db2.gz VFABHNIWLMLRQX-RGCMKSIDSA-N 2 0 297.399 -0.891 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001000198854 656702796 /nfs/dbraw/zinc/70/27/96/656702796.db2.gz LMPNWRUUTBKYSX-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCO)C1)[NH+](C)C ZINC001000224020 656704027 /nfs/dbraw/zinc/70/40/27/656704027.db2.gz HFPKIEYKGWMCDI-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@]3(O)CCC[NH+](C)C3)[C@@H]2C1 ZINC000908346423 656711030 /nfs/dbraw/zinc/71/10/30/656711030.db2.gz GYCMTEIAERWNLZ-GUTXKFCHSA-N 2 0 281.400 -0.004 20 0 CBADRP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000908363563 656712822 /nfs/dbraw/zinc/71/28/22/656712822.db2.gz RCLLAUXHDGSHCC-QEJZJMRPSA-N 2 0 281.400 -0.004 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1=CC[NH+](CCO)CC1 ZINC001000517329 656733043 /nfs/dbraw/zinc/73/30/43/656733043.db2.gz GMWXYZHVYLZERN-CYBMUJFWSA-N 2 0 267.373 -0.179 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001000687713 656759144 /nfs/dbraw/zinc/75/91/44/656759144.db2.gz HMPKOMLQPDHLNQ-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001000922287 656773566 /nfs/dbraw/zinc/77/35/66/656773566.db2.gz ABYXOVDBMGLBRA-OLZOCXBDSA-N 2 0 294.399 -0.449 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001000937211 656777105 /nfs/dbraw/zinc/77/71/05/656777105.db2.gz SSAXZPIUDXQPMN-GFCCVEGCSA-N 2 0 255.362 -0.345 20 0 CBADRP NC(=O)C[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001000937184 656777401 /nfs/dbraw/zinc/77/74/01/656777401.db2.gz SKZXPVJZVXXISL-NSHDSACASA-N 2 0 268.361 -0.852 20 0 CBADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)C[C@H]21 ZINC000909146155 656784394 /nfs/dbraw/zinc/78/43/94/656784394.db2.gz OOADWPXKVBDQAA-YCGPCKTQSA-N 2 0 267.373 -0.540 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1=CC[NH+](CCO)CC1 ZINC001001151137 656801237 /nfs/dbraw/zinc/80/12/37/656801237.db2.gz LCWZJFCRQMWWHM-TZMCWYRMSA-N 2 0 281.400 -0.075 20 0 CBADRP CNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001001237717 656804562 /nfs/dbraw/zinc/80/45/62/656804562.db2.gz JNHPZYDIRGKPIM-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001001262124 656804899 /nfs/dbraw/zinc/80/48/99/656804899.db2.gz BMIFDBSHAIUPON-WCQYABFASA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001001539868 656813566 /nfs/dbraw/zinc/81/35/66/656813566.db2.gz WKUFVYHDPPRJDG-CYBMUJFWSA-N 2 0 296.415 -0.216 20 0 CBADRP O=C(NCC1CC[NH+](CCO)CC1)C12CC[NH+](CC1)C2 ZINC001002052929 656825762 /nfs/dbraw/zinc/82/57/62/656825762.db2.gz NNGZTVQDFYGZJZ-UHFFFAOYSA-N 2 0 281.400 -0.097 20 0 CBADRP NC(=O)C[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002042739 656825944 /nfs/dbraw/zinc/82/59/44/656825944.db2.gz ICZSGPCFCGWAOB-UHFFFAOYSA-N 2 0 294.399 -0.604 20 0 CBADRP O=C(NC1CC[NH+](CCO)CC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001002875605 656842818 /nfs/dbraw/zinc/84/28/18/656842818.db2.gz NTZYPJUSTHYFLD-KGLIPLIRSA-N 2 0 297.399 -0.578 20 0 CBADRP CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004150320 656881631 /nfs/dbraw/zinc/88/16/31/656881631.db2.gz RAXFJIZNDWSXAK-NEPJUHHUSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004150249 656881728 /nfs/dbraw/zinc/88/17/28/656881728.db2.gz QRONHAAIQQJLMP-VXGBXAGGSA-N 2 0 269.389 -0.101 20 0 CBADRP CCN(C(=O)C(=O)NC[C@H]1CCN1CC)[C@H]1CC[N@H+](C)C1 ZINC000910735897 656887433 /nfs/dbraw/zinc/88/74/33/656887433.db2.gz GWIHLOUZHGBJPL-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NCC2([NH+](C)C)CC2)C1 ZINC000910926419 656903037 /nfs/dbraw/zinc/90/30/37/656903037.db2.gz BSZYXKQIQFLUJF-UHFFFAOYSA-N 2 0 268.405 -0.310 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NCC2([NH3+])CC2)CCCC1 ZINC000910952099 656912206 /nfs/dbraw/zinc/91/22/06/656912206.db2.gz GTKFYEJYHVZUDC-UHFFFAOYSA-N 2 0 282.388 -0.416 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000910976316 656919204 /nfs/dbraw/zinc/91/92/04/656919204.db2.gz HTYJRFABONESHL-QNWHQSFQSA-N 2 0 296.415 -0.158 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000911007932 656928744 /nfs/dbraw/zinc/92/87/44/656928744.db2.gz LFCLZQSFQSMWNL-VOAKCMCISA-N 2 0 296.415 -0.443 20 0 CBADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911065781 656937727 /nfs/dbraw/zinc/93/77/27/656937727.db2.gz FUSLKXNATLDTBK-UHFFFAOYSA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+])C1CC1 ZINC000911061421 656938283 /nfs/dbraw/zinc/93/82/83/656938283.db2.gz REZZJYXUWMWFQF-ABAIWWIYSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1[NH3+] ZINC000911066078 656938536 /nfs/dbraw/zinc/93/85/36/656938536.db2.gz GGTWJBYCZCMSMJ-ZWNOBZJWSA-N 2 0 294.399 -0.465 20 0 CBADRP CC1(C)CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1[NH3+] ZINC000911072239 656939557 /nfs/dbraw/zinc/93/95/57/656939557.db2.gz HOUCSAIRBNKHKT-JQWIXIFHSA-N 2 0 294.399 -0.465 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911073279 656940825 /nfs/dbraw/zinc/94/08/25/656940825.db2.gz RGECCNRYYQTRJA-WDEREUQCSA-N 2 0 284.404 -0.443 20 0 CBADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CCO)CC1 ZINC001006300064 656942410 /nfs/dbraw/zinc/94/24/10/656942410.db2.gz QXHYFZONEDXIJH-UHFFFAOYSA-N 2 0 281.400 -0.003 20 0 CBADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCO)CC1 ZINC001006401367 656946106 /nfs/dbraw/zinc/94/61/06/656946106.db2.gz QZZQUXUSGQENJM-GFCCVEGCSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000911113853 656951046 /nfs/dbraw/zinc/95/10/46/656951046.db2.gz JTOYEBUWBOAPTI-NEPJUHHUSA-N 2 0 296.415 -0.441 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911138558 656960308 /nfs/dbraw/zinc/96/03/08/656960308.db2.gz RZNAWADDYCLNAR-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911144509 656962765 /nfs/dbraw/zinc/96/27/65/656962765.db2.gz AAYYQMACKONBOW-UZWSLXQKSA-N 2 0 294.399 -0.561 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C[C@H]1[NH3+] ZINC000911146717 656963170 /nfs/dbraw/zinc/96/31/70/656963170.db2.gz MZKDOZOUTTZUQW-DNIRFERGSA-N 2 0 294.399 -0.609 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911144508 656963669 /nfs/dbraw/zinc/96/36/69/656963669.db2.gz AAYYQMACKONBOW-PRULPYPASA-N 2 0 294.399 -0.561 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000911147754 656964014 /nfs/dbraw/zinc/96/40/14/656964014.db2.gz SNCIVOOYXUQZDC-DNIRFERGSA-N 2 0 294.399 -0.691 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000911162114 656967803 /nfs/dbraw/zinc/96/78/03/656967803.db2.gz OYMKWLUCRJDYNO-JHJVBQTASA-N 2 0 296.415 -0.441 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000911186680 656975614 /nfs/dbraw/zinc/97/56/14/656975614.db2.gz KJBYNOGSLKTBLE-NEPJUHHUSA-N 2 0 296.415 -0.441 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911185679 656975880 /nfs/dbraw/zinc/97/58/80/656975880.db2.gz BLSVEEDBZFKYLT-YVECIDJPSA-N 2 0 296.415 -0.158 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)C1CC1 ZINC000911186341 656975938 /nfs/dbraw/zinc/97/59/38/656975938.db2.gz HCMYUMDYTPLOIM-XYPYZODXSA-N 2 0 282.388 -0.560 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911185974 656975945 /nfs/dbraw/zinc/97/59/45/656975945.db2.gz DZUYMLHQVUWRGH-SRVKXCTJSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CC1 ZINC000911188263 656977716 /nfs/dbraw/zinc/97/77/16/656977716.db2.gz SPPWUWHFJQWSQE-KGYLQXTDSA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)[N@H+](C)C1CC1 ZINC000911206603 656984880 /nfs/dbraw/zinc/98/48/80/656984880.db2.gz QZRKEQGPPTVCKB-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[N@H+](C)C1CC1 ZINC000911204817 656984912 /nfs/dbraw/zinc/98/49/12/656984912.db2.gz HUNOZZPKTBXKFQ-LYIQGSDWSA-N 2 0 294.399 -0.406 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000911214437 656987373 /nfs/dbraw/zinc/98/73/73/656987373.db2.gz FBPPAIFQESVKAR-FDYHWXHSSA-N 2 0 294.399 -0.547 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000911217393 656989551 /nfs/dbraw/zinc/98/95/51/656989551.db2.gz BSWHPBWWZCQMMU-UHFFFAOYSA-N 2 0 294.399 -0.416 20 0 CBADRP C[C@H](NC(=O)C(=O)NCC1([NH3+])CC1)C1=CC[N@H+](C)CC1 ZINC000911220642 656990995 /nfs/dbraw/zinc/99/09/95/656990995.db2.gz XJKSSJVWAPVMFR-JTQLQIEISA-N 2 0 280.372 -0.640 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000911223672 656991279 /nfs/dbraw/zinc/99/12/79/656991279.db2.gz RDNZBADCJCEMJW-RAIGVLPGSA-N 2 0 294.399 -0.689 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911244559 656996239 /nfs/dbraw/zinc/99/62/39/656996239.db2.gz PPUJDNNQOUYMFF-QJPTWQEYSA-N 2 0 282.388 -0.547 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911255898 656999316 /nfs/dbraw/zinc/99/93/16/656999316.db2.gz NVEDOEZKSULELV-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NCC[NH3+] ZINC000911265912 657002505 /nfs/dbraw/zinc/00/25/05/657002505.db2.gz GGPMFJMVKHPCQW-UHFFFAOYSA-N 2 0 258.366 -0.893 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000911269698 657003948 /nfs/dbraw/zinc/00/39/48/657003948.db2.gz OGPBBRPKFPIKJK-GHMZBOCLSA-N 2 0 280.372 -0.663 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)C[NH+]1CCCC1 ZINC000911269741 657004712 /nfs/dbraw/zinc/00/47/12/657004712.db2.gz OWEDBNDVQRYNDO-AVGNSLFASA-N 2 0 296.415 -0.312 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000911271719 657005268 /nfs/dbraw/zinc/00/52/68/657005268.db2.gz JYODDGWPFAQSSV-GZBFAFLISA-N 2 0 299.415 -0.596 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(CC(N)=O)C2)CC[N@@H+]1C ZINC001007368067 657007224 /nfs/dbraw/zinc/00/72/24/657007224.db2.gz AGYOUSZXBNVZIL-FRRDWIJNSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000911283826 657009470 /nfs/dbraw/zinc/00/94/70/657009470.db2.gz XZLAYYUHHJPFOF-SNVBAGLBSA-N 2 0 272.393 -0.504 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000911302664 657015007 /nfs/dbraw/zinc/01/50/07/657015007.db2.gz JZQJUXXXAZWSKH-UHFFFAOYSA-N 2 0 296.415 -0.168 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)C[C@]2(C)C1 ZINC000911299575 657015034 /nfs/dbraw/zinc/01/50/34/657015034.db2.gz ZYXJPXAIHDTENL-JMSVASOKSA-N 2 0 294.399 -0.750 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911312871 657018392 /nfs/dbraw/zinc/01/83/92/657018392.db2.gz NXYRTBLIFWFPIO-JOCQHMNTSA-N 2 0 298.431 -0.066 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000911325142 657020115 /nfs/dbraw/zinc/02/01/15/657020115.db2.gz PFXDAEFPGAXPOV-TUAOUCFPSA-N 2 0 296.415 -0.443 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911337341 657022277 /nfs/dbraw/zinc/02/22/77/657022277.db2.gz RCBILZITSGNKSP-UMSGYPCISA-N 2 0 294.399 -0.404 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911337342 657022574 /nfs/dbraw/zinc/02/25/74/657022574.db2.gz RCBILZITSGNKSP-WUHRBBMRSA-N 2 0 294.399 -0.404 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911337084 657022718 /nfs/dbraw/zinc/02/27/18/657022718.db2.gz PVJVCYXILLFBGI-JTQLQIEISA-N 2 0 268.361 -0.806 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NCCC(C)(C)[NH3+])C[C@]2(C)C1 ZINC000911364349 657027189 /nfs/dbraw/zinc/02/71/89/657027189.db2.gz GCXJZLPQQGLXCH-ABAIWWIYSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000911370011 657028819 /nfs/dbraw/zinc/02/88/19/657028819.db2.gz LFOICIHBLWUYMY-FDYHWXHSSA-N 2 0 296.415 -0.348 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911381133 657033086 /nfs/dbraw/zinc/03/30/86/657033086.db2.gz ROJVRHPAXREGQJ-FRRDWIJNSA-N 2 0 296.415 -0.441 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911503178 657057332 /nfs/dbraw/zinc/05/73/32/657057332.db2.gz MLRKPPHCIQIQIM-NWDGAFQWSA-N 2 0 294.399 -0.463 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCC3([NH3+])CC3)CC[C@@H]21 ZINC000911504729 657058840 /nfs/dbraw/zinc/05/88/40/657058840.db2.gz NNLPHRYTCKUBEO-RYUDHWBXSA-N 2 0 294.399 -0.463 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911505417 657059233 /nfs/dbraw/zinc/05/92/33/657059233.db2.gz CRVHFPJDWIDHQK-JTQLQIEISA-N 2 0 282.388 -0.417 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)[C@H](C)C1 ZINC000911505386 657059433 /nfs/dbraw/zinc/05/94/33/657059433.db2.gz BXVUNCOKRQTOOS-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](CCO)C2)C1 ZINC001009197192 657068999 /nfs/dbraw/zinc/06/89/99/657068999.db2.gz BGMZYZFPLSDBEM-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911532054 657069770 /nfs/dbraw/zinc/06/97/70/657069770.db2.gz JOLDVFUQXDGJBB-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000911535099 657070460 /nfs/dbraw/zinc/07/04/60/657070460.db2.gz ZIFPCIWNHAIKFG-UHFFFAOYSA-N 2 0 282.388 -0.734 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911542165 657074052 /nfs/dbraw/zinc/07/40/52/657074052.db2.gz LRRJHPOSZUWBKZ-UMSGYPCISA-N 2 0 294.399 -0.452 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911548866 657074760 /nfs/dbraw/zinc/07/47/60/657074760.db2.gz BHKCJGJSHZKGCX-MROQNXINSA-N 2 0 294.399 -0.404 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911627827 657088225 /nfs/dbraw/zinc/08/82/25/657088225.db2.gz AZTKUDZSGXVVDQ-AGIUHOORSA-N 2 0 266.389 -0.747 20 0 CBADRP C[C@@H]1C[C@H](C(=O)NCCCN2CC[NH2+]CC2)CC[NH2+]1 ZINC000911631127 657089685 /nfs/dbraw/zinc/08/96/85/657089685.db2.gz YKQJKYBPGSBKFE-CHWSQXEVSA-N 2 0 268.405 -0.214 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCCCN1CC[NH2+]CC1 ZINC000911630170 657090095 /nfs/dbraw/zinc/09/00/95/657090095.db2.gz OHOUOQFGJHRZPC-CHWSQXEVSA-N 2 0 268.405 -0.357 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC000911632923 657090366 /nfs/dbraw/zinc/09/03/66/657090366.db2.gz DOLASXMUVVHKOA-STQMWFEESA-N 2 0 296.415 -0.358 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)CCNC(=O)[C@H]([NH3+])C(C)C)C1 ZINC000911633537 657090974 /nfs/dbraw/zinc/09/09/74/657090974.db2.gz HJBPTSIJLWBPCT-GXTWGEPZSA-N 2 0 298.431 -0.066 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC000911656466 657097293 /nfs/dbraw/zinc/09/72/93/657097293.db2.gz OEJBHBGVHANZAV-WZRBSPASSA-N 2 0 253.346 -0.567 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000911659556 657098932 /nfs/dbraw/zinc/09/89/32/657098932.db2.gz BZZSUDNPKKIHNS-JQWIXIFHSA-N 2 0 270.377 -0.704 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1=O ZINC000911672703 657101288 /nfs/dbraw/zinc/10/12/88/657101288.db2.gz HDBUWXPYNYFUGL-GHMZBOCLSA-N 2 0 268.361 -0.948 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911672858 657102024 /nfs/dbraw/zinc/10/20/24/657102024.db2.gz PSVVAVSOPCQWGH-MDZLAQPJSA-N 2 0 253.346 -0.519 20 0 CBADRP CC(C)C[C@@H]([NH3+])CC(=O)NCCN1CC[NH2+]CC1 ZINC000911693582 657102968 /nfs/dbraw/zinc/10/29/68/657102968.db2.gz MFBKXGPMPBFCLF-GFCCVEGCSA-N 2 0 256.394 -0.229 20 0 CBADRP CC[NH2+]CCCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000911686981 657103790 /nfs/dbraw/zinc/10/37/90/657103790.db2.gz AQCPVEHHQMHJKE-KGLIPLIRSA-N 2 0 299.415 -0.018 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911694370 657106290 /nfs/dbraw/zinc/10/62/90/657106290.db2.gz VSQUSALPBLKTMW-QJPTWQEYSA-N 2 0 252.362 -0.852 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911703696 657109878 /nfs/dbraw/zinc/10/98/78/657109878.db2.gz KBCNSOSHBYBPPM-AAEUAGOBSA-N 2 0 284.404 -0.408 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CCCC[C@@H]2C[NH3+])C1=O ZINC000911722632 657115382 /nfs/dbraw/zinc/11/53/82/657115382.db2.gz UMHAYCFEZXQAEJ-NEPJUHHUSA-N 2 0 282.388 -0.477 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000911725047 657115532 /nfs/dbraw/zinc/11/55/32/657115532.db2.gz PUDDXNZZDMLWRL-LLVKDONJSA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)Cc1csc(C[NH3+])n1 ZINC000911723520 657116033 /nfs/dbraw/zinc/11/60/33/657116033.db2.gz FJMZLJUGXFAMRY-QMMMGPOBSA-N 2 0 254.359 -0.035 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)c1ccn(CCC[NH3+])n1 ZINC000911719936 657116091 /nfs/dbraw/zinc/11/60/91/657116091.db2.gz FREKAUFUGVOHNL-SNVBAGLBSA-N 2 0 251.334 -0.334 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC000911726639 657117625 /nfs/dbraw/zinc/11/76/25/657117625.db2.gz FKBLOAAYTMODSK-NDBYEHHHSA-N 2 0 294.399 -0.845 20 0 CBADRP C[NH2+]C1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCC1 ZINC000911728498 657117977 /nfs/dbraw/zinc/11/79/77/657117977.db2.gz VHGBCUVYUJJLSF-LLVKDONJSA-N 2 0 282.388 -0.558 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC000911726636 657117999 /nfs/dbraw/zinc/11/79/99/657117999.db2.gz FKBLOAAYTMODSK-FVCCEPFGSA-N 2 0 294.399 -0.845 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC000911736066 657119422 /nfs/dbraw/zinc/11/94/22/657119422.db2.gz HCOWANMUDVUHEO-DGCLKSJQSA-N 2 0 255.362 -0.299 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC000911736530 657119733 /nfs/dbraw/zinc/11/97/33/657119733.db2.gz LDQWPJBVEQMYKL-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP C[NH2+]CCNC(=O)c1ccc2c(c1)CC[C@H]([NH3+])C(=O)N2 ZINC000911748490 657120401 /nfs/dbraw/zinc/12/04/01/657120401.db2.gz NKBHRIXOABCPBW-NSHDSACASA-N 2 0 276.340 -0.152 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)NCC[NH2+]C2CC2)CCOCC1 ZINC000911752668 657122039 /nfs/dbraw/zinc/12/20/39/657122039.db2.gz RIJHEEUIGQRTKF-SNVBAGLBSA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(NCC[NH2+]C1CC1)C1=NOC2(C1)CC[NH2+]CC2 ZINC000911753707 657122917 /nfs/dbraw/zinc/12/29/17/657122917.db2.gz FHTNXHBKJSWMRH-UHFFFAOYSA-N 2 0 266.345 -0.247 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NCC[C@H]1CC[NH2+]C1 ZINC000911766066 657123972 /nfs/dbraw/zinc/12/39/72/657123972.db2.gz FMNPDIAMXGTSGX-YPMHNXCESA-N 2 0 255.362 -0.393 20 0 CBADRP CC(C)(C[NH3+])NC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000911762079 657124684 /nfs/dbraw/zinc/12/46/84/657124684.db2.gz LOKBRVSNRWYMFF-GFCCVEGCSA-N 2 0 254.334 -0.262 20 0 CBADRP C[NH2+]C[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC000911777289 657126917 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CBADRP CC(C)[C@H]([NH3+])CNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000911826521 657140958 /nfs/dbraw/zinc/14/09/58/657140958.db2.gz OPYRWLIDRDUOOT-ZWNOBZJWSA-N 2 0 268.361 -0.016 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)c1ccn(CCC[NH3+])n1 ZINC000911825488 657142324 /nfs/dbraw/zinc/14/23/24/657142324.db2.gz HTPPMEZGXFZMIV-JTQLQIEISA-N 2 0 253.350 -0.055 20 0 CBADRP [NH3+]CCNCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000911841031 657145366 /nfs/dbraw/zinc/14/53/66/657145366.db2.gz OKFBPNBRZIVGLF-UHFFFAOYSA-N 2 0 256.394 -0.037 20 0 CBADRP CC1(C)C[NH2+]CCN1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC000911848409 657146089 /nfs/dbraw/zinc/14/60/89/657146089.db2.gz VCGCFNGCBVEFLO-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP O=C(N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911858909 657148687 /nfs/dbraw/zinc/14/86/87/657148687.db2.gz WXMSDBCCJHFDCJ-CXTNEJHOSA-N 2 0 279.384 -0.035 20 0 CBADRP CC[NH2+]CC1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC000911861290 657148763 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CO[C@H]1C[C@@H](C(=O)N2CCC(O)(C[NH+](C)C)CC2)[N@H+](C)C1 ZINC000913676526 657581049 /nfs/dbraw/zinc/58/10/49/657581049.db2.gz AJBBLNOEAJSKCL-STQMWFEESA-N 2 0 299.415 -0.379 20 0 CBADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCO)C2)CC1 ZINC001015900799 657598963 /nfs/dbraw/zinc/59/89/63/657598963.db2.gz VKZVOZSTBDJRDY-ZDUSSCGKSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](CCCO)C2)C1 ZINC001015997459 657626642 /nfs/dbraw/zinc/62/66/42/657626642.db2.gz CNJRUUVFOWUZJA-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](CCCO)C1)C12CC[NH+](CC1)C2 ZINC001016003871 657630503 /nfs/dbraw/zinc/63/05/03/657630503.db2.gz QNIYKLZJYCAAMP-GFCCVEGCSA-N 2 0 267.373 -0.345 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCn3cncn3)C2)C1 ZINC001016249966 657671672 /nfs/dbraw/zinc/67/16/72/657671672.db2.gz LLUIPYPWAPPRDZ-CHWSQXEVSA-N 2 0 292.387 -0.580 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CC(N)=O)CC3)C1 ZINC001016970071 657742724 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Cn1nncc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001018626578 657827831 /nfs/dbraw/zinc/82/78/31/657827831.db2.gz ADHWYCYTDUBMOM-WCQYABFASA-N 2 0 292.387 -0.400 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018967973 657855567 /nfs/dbraw/zinc/85/55/67/657855567.db2.gz NUYFYMKAWKUYCH-STQMWFEESA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC001018971880 657855747 /nfs/dbraw/zinc/85/57/47/657855747.db2.gz YKEVJMFWOZWUTC-MNOVXSKESA-N 2 0 282.388 -0.465 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018967972 657855978 /nfs/dbraw/zinc/85/59/78/657855978.db2.gz NUYFYMKAWKUYCH-QWHCGFSZSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)C1)[NH+](C)C ZINC001019033588 657859394 /nfs/dbraw/zinc/85/93/94/657859394.db2.gz UVYGIGALZHNAEE-WCQYABFASA-N 2 0 294.403 -0.154 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019044809 657859910 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CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019664523 657927153 /nfs/dbraw/zinc/92/71/53/657927153.db2.gz DDRJYXRUSXNITA-JTQLQIEISA-N 2 0 291.355 -0.563 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001019774857 657939463 /nfs/dbraw/zinc/93/94/63/657939463.db2.gz LHZNRTFRYKGYSU-QWRGUYRKSA-N 2 0 268.361 -0.854 20 0 CBADRP CN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001019774968 657939550 /nfs/dbraw/zinc/93/95/50/657939550.db2.gz PPQUMLCZJOTTDX-QWHCGFSZSA-N 2 0 294.399 -0.497 20 0 CBADRP NC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001019812450 657946273 /nfs/dbraw/zinc/94/62/73/657946273.db2.gz PTBUVYAGIXLHSN-LBPRGKRZSA-N 2 0 282.388 -0.462 20 0 CBADRP Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001020026184 657987910 /nfs/dbraw/zinc/98/79/10/657987910.db2.gz KCEYODRKCVUDFT-SRVKXCTJSA-N 2 0 292.387 -0.354 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001020161736 658019235 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O=S(=O)(C1C[NH2+]C1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923575517 658336446 /nfs/dbraw/zinc/33/64/46/658336446.db2.gz DNIXNFCBPXAJBG-JQWIXIFHSA-N 2 0 273.402 -0.248 20 0 CBADRP C[C@@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC000923573798 658336961 /nfs/dbraw/zinc/33/69/61/658336961.db2.gz RQTXLLUIDGXRJS-MNOVXSKESA-N 2 0 276.406 -0.804 20 0 CBADRP C[NH+](C)CC1CCC(NS(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923630165 658362965 /nfs/dbraw/zinc/36/29/65/658362965.db2.gz SXFBWQNCOMTLGT-UHFFFAOYSA-N 2 0 275.418 -0.002 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923628068 658363928 /nfs/dbraw/zinc/36/39/28/658363928.db2.gz NYDRPENCFHHHMV-LDYMZIIASA-N 2 0 259.375 -0.640 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000923632148 658365341 /nfs/dbraw/zinc/36/53/41/658365341.db2.gz DFFOBFNQHHJPLA-VWYCJHECSA-N 2 0 261.391 -0.250 20 0 CBADRP C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923634864 658365679 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O=S(=O)([C@H]1CCC[NH2+]C1)N1CCC2(CC[NH2+]2)CC1 ZINC000923649376 658375119 /nfs/dbraw/zinc/37/51/19/658375119.db2.gz RANZIHXYGKTSNW-NSHDSACASA-N 2 0 273.402 -0.104 20 0 CBADRP C[C@@H]1C[C@H](C)N(S(=O)(=O)N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000923649217 658377028 /nfs/dbraw/zinc/37/70/28/658377028.db2.gz NHRKLUIXQDGENU-GRYCIOLGSA-N 2 0 290.433 -0.558 20 0 CBADRP O=S(=O)(NCC12CC(C1)C[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000923657514 658382994 /nfs/dbraw/zinc/38/29/94/658382994.db2.gz AVPDOHLRURFCCK-HSOILSAZSA-N 2 0 259.375 -0.590 20 0 CBADRP [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)[C@@H]1CCC[NH2+]C1)C2 ZINC000923659039 658384130 /nfs/dbraw/zinc/38/41/30/658384130.db2.gz KDYQVIMNAUKKLL-UTUOFQBUSA-N 2 0 273.402 -0.119 20 0 CBADRP [NH3+][C@@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC[C@H]1F ZINC000923659367 658385733 /nfs/dbraw/zinc/38/57/33/658385733.db2.gz NJFPMGAGQWIYGD-OPRDCNLKSA-N 2 0 265.354 -0.561 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000923666994 658389173 /nfs/dbraw/zinc/38/91/73/658389173.db2.gz QROPSSVWMUMJOO-GMTAPVOTSA-N 2 0 261.391 -0.405 20 0 CBADRP [NH3+]CC1(NS(=O)(=O)N2CC[NH2+]CC2)CCCCC1 ZINC000923668713 658390083 /nfs/dbraw/zinc/39/00/83/658390083.db2.gz YNECZJGYUVPTIE-UHFFFAOYSA-N 2 0 276.406 -0.612 20 0 CBADRP C[C@H](NS(=O)(=O)N1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000923668424 658390980 /nfs/dbraw/zinc/39/09/80/658390980.db2.gz GEBTXWWSTYYMHM-JTQLQIEISA-N 2 0 276.406 -0.886 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000923693961 658400853 /nfs/dbraw/zinc/40/08/53/658400853.db2.gz CKRLHFSCDCMEMT-NSHDSACASA-N 2 0 279.406 -0.947 20 0 CBADRP C[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC000923704366 658404948 /nfs/dbraw/zinc/40/49/48/658404948.db2.gz RXGRQXODFXOJEF-WDEREUQCSA-N 2 0 276.406 -0.947 20 0 CBADRP O=C(NC[C@@H]1C[N@H+](CCO)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC000958214927 658592368 /nfs/dbraw/zinc/59/23/68/658592368.db2.gz OSSVGURRCJMOGM-OLZOCXBDSA-N 2 0 297.399 -0.984 20 0 CBADRP C[C@@H](CN1C(=O)N[C@H](C[NH+](C)C)C1=O)[N@H+](C)C1CC1 ZINC000924582186 658614205 /nfs/dbraw/zinc/61/42/05/658614205.db2.gz JBUVLFYQRNHPEN-GXSJLCMTSA-N 2 0 268.361 -0.049 20 0 CBADRP C[NH+](C)C[C@@H]1NC(=O)N(C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1=O ZINC000924561219 658615823 /nfs/dbraw/zinc/61/58/23/658615823.db2.gz SDSJIIFKHBMYOO-WOPDTQHZSA-N 2 0 296.371 -0.668 20 0 CBADRP C[C@@H]1C[C@@H](N2C(=O)N[C@@H](C[NH+](C)C)C2=O)CC[N@@H+]1C ZINC000924628513 658624622 /nfs/dbraw/zinc/62/46/22/658624622.db2.gz JPCFTXMBLWUVCS-VWYCJHECSA-N 2 0 268.361 -0.049 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+](CCCF)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958591796 658670707 /nfs/dbraw/zinc/67/07/07/658670707.db2.gz JALSZSWGSVIKIM-OLZOCXBDSA-N 2 0 299.390 -0.149 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1C(=O)NCC1(C)C)CN1CC[NH+](C)CC1 ZINC000924948540 658671815 /nfs/dbraw/zinc/67/18/15/658671815.db2.gz HWEKUGHWYZIHIG-QWHCGFSZSA-N 2 0 282.432 -0.016 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000924975172 658674799 /nfs/dbraw/zinc/67/47/99/658674799.db2.gz RJZKYMUUAYRSQR-MNOVXSKESA-N 2 0 253.346 -0.737 20 0 CBADRP C[NH+](C)CCn1nccc1C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1C ZINC000924979121 658684882 /nfs/dbraw/zinc/68/48/82/658684882.db2.gz MBZGAIOYCPKPBO-NEPJUHHUSA-N 2 0 295.387 -0.761 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000924990496 658703079 /nfs/dbraw/zinc/70/30/79/658703079.db2.gz GVTKARSVFGUOBK-OBJOEFQTSA-N 2 0 285.388 -0.986 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)CC[N@@H+]1C ZINC000925332152 658827495 /nfs/dbraw/zinc/82/74/95/658827495.db2.gz NJTJCBQGLZOGKU-MDZLAQPJSA-N 2 0 270.377 -0.555 20 0 CBADRP C[C@H]1[C@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000925341778 658831692 /nfs/dbraw/zinc/83/16/92/658831692.db2.gz JPFLLQRZCGKEOZ-WUHRBBMRSA-N 2 0 282.388 -0.461 20 0 CBADRP C[C@H]1[C@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@@H+]1C ZINC000925346772 658832476 /nfs/dbraw/zinc/83/24/76/658832476.db2.gz VTQBGVDFIAZQQN-SDDRHHMPSA-N 2 0 270.377 -0.555 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21 ZINC000961773569 658833686 /nfs/dbraw/zinc/83/36/86/658833686.db2.gz PCJYTIFQTNZGNP-CXTNEJHOSA-N 2 0 281.400 -0.101 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000925408050 658839514 /nfs/dbraw/zinc/83/95/14/658839514.db2.gz NXXDHTFCCVREIX-MCIONIFRSA-N 2 0 296.415 -0.069 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000925412948 658841168 /nfs/dbraw/zinc/84/11/68/658841168.db2.gz DXGXYTQZXWHHOX-ZYHUDNBSSA-N 2 0 256.350 -0.944 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+]1CCCO ZINC000925428667 658849271 /nfs/dbraw/zinc/84/92/71/658849271.db2.gz DISSLZPDOXFFTH-CHWSQXEVSA-N 2 0 284.404 -0.164 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000925432907 658851246 /nfs/dbraw/zinc/85/12/46/658851246.db2.gz ZQUHTRIPAJKTFQ-NWDGAFQWSA-N 2 0 284.404 -0.165 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925434835 658854474 /nfs/dbraw/zinc/85/44/74/658854474.db2.gz NOOJFYTZEMISIP-ZDUSSCGKSA-N 2 0 285.436 -0.127 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925477740 658855876 /nfs/dbraw/zinc/85/58/76/658855876.db2.gz LTEGOIMFODSLIJ-STQMWFEESA-N 2 0 257.378 -0.325 20 0 CBADRP CN1CC[NH+](CCCN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925516600 658858245 /nfs/dbraw/zinc/85/82/45/658858245.db2.gz DVXXCHQESYNARE-CYBMUJFWSA-N 2 0 256.394 -0.798 20 0 CBADRP CC(=O)N1CCN(CCN[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925549662 658859291 /nfs/dbraw/zinc/85/92/91/658859291.db2.gz ZCVZXIGTGWDESY-GXTWGEPZSA-N 2 0 268.405 -0.119 20 0 CBADRP CC(=O)N1CCN(CCN[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925549667 658859660 /nfs/dbraw/zinc/85/96/60/658859660.db2.gz ZCVZXIGTGWDESY-TZMCWYRMSA-N 2 0 268.405 -0.119 20 0 CBADRP CN(C)C(=O)CC[NH+]1CCC(N[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925568899 658859715 /nfs/dbraw/zinc/85/97/15/658859715.db2.gz XKNBNMCTTOGUGW-CQSZACIVSA-N 2 0 298.431 -0.493 20 0 CBADRP CS(=O)(=O)N1CCC(C[NH2+][C@@H]2CNCCOC2)CC1 ZINC000925549621 658859845 /nfs/dbraw/zinc/85/98/45/658859845.db2.gz WZRODQYHGDAGJD-GFCCVEGCSA-N 2 0 291.417 -0.764 20 0 CBADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CNCCOC1 ZINC000925609846 658862103 /nfs/dbraw/zinc/86/21/03/658862103.db2.gz WMRBJNVJLOLOQY-KBPBESRZSA-N 2 0 271.405 -0.199 20 0 CBADRP C[C@@H](CC[NH+]1CCN(C)CC1)N[C@H]1C[NH2+]CCOC1 ZINC000925641192 658864105 /nfs/dbraw/zinc/86/41/05/658864105.db2.gz LGTYUKRGEKLWEP-KBPBESRZSA-N 2 0 270.421 -0.410 20 0 CBADRP c1cc(N[C@@H]2C[NH2+]CCOC2)ncc1N1CC[NH2+]CC1 ZINC000925694693 658865443 /nfs/dbraw/zinc/86/54/43/658865443.db2.gz RXQBXFUZUCHCLE-GFCCVEGCSA-N 2 0 277.372 -0.109 20 0 CBADRP O=C(CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)N1CC[NH2+]CC1 ZINC000925689810 658865817 /nfs/dbraw/zinc/86/58/17/658865817.db2.gz IQVPTXOHINDGKH-FUVSOYRFSA-N 2 0 264.373 -0.996 20 0 CBADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C1 ZINC000925694524 658865969 /nfs/dbraw/zinc/86/59/69/658865969.db2.gz UWNSWRLRFCDYGJ-NWDGAFQWSA-N 3 0 268.405 -0.086 20 0 CBADRP O=C(CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)N1CC[NH2+]CC1 ZINC000925689812 658865974 /nfs/dbraw/zinc/86/59/74/658865974.db2.gz IQVPTXOHINDGKH-JZKMBYMZSA-N 2 0 264.373 -0.996 20 0 CBADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000925693757 658866143 /nfs/dbraw/zinc/86/61/43/658866143.db2.gz RPHUCLNRMSSNCH-KCXRBIIJSA-N 3 0 266.389 -0.476 20 0 CBADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2[C@@H]3COC[C@H]2C[C@@H]([NH3+])C3)C1 ZINC000925701506 658866815 /nfs/dbraw/zinc/86/68/15/658866815.db2.gz ALXRXRWBBIATSB-KCLOPSPPSA-N 2 0 253.346 -0.408 20 0 CBADRP C[NH2+]CCOCC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925717194 658867015 /nfs/dbraw/zinc/86/70/15/658867015.db2.gz AKOCJWGTPNZXIY-PPANGVADSA-N 3 0 257.378 -0.436 20 0 CBADRP C(N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[C@H]1C[NH2+]CCCO1 ZINC000925711875 658867148 /nfs/dbraw/zinc/86/71/48/658867148.db2.gz TUJHYAFTGHNODU-VPCRRHSYSA-N 2 0 251.374 -0.049 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000925715223 658867184 /nfs/dbraw/zinc/86/71/84/658867184.db2.gz AYXRANZOMUSCGA-PSASIEDQSA-N 2 0 251.334 -0.129 20 0 CBADRP FC(F)(F)[C@@H](CN[C@H]1C[NH2+]CCOC1)N1CC[NH2+]CC1 ZINC000925699596 658867298 /nfs/dbraw/zinc/86/72/98/658867298.db2.gz KZFXAFOMQUQOGP-WDEREUQCSA-N 2 0 296.337 -0.600 20 0 CBADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@]23COCCN2C(=O)COC3)C12CCC2 ZINC000925727980 658869182 /nfs/dbraw/zinc/86/91/82/658869182.db2.gz RRYLOMWXDUHHJN-MBNYWOFBSA-N 2 0 295.383 -0.526 20 0 CBADRP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2[C@@H]3COC[C@H]2C[C@H]([NH3+])C3)C1 ZINC000925771676 658870985 /nfs/dbraw/zinc/87/09/85/658870985.db2.gz ZNZRELLKNFHYAJ-DIQHKMFBSA-N 2 0 288.413 -0.096 20 0 CBADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816761 658872732 /nfs/dbraw/zinc/87/27/32/658872732.db2.gz IJOKRWOCBPRWBN-GXTWGEPZSA-N 2 0 270.421 -0.234 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926293413 658890079 /nfs/dbraw/zinc/89/00/79/658890079.db2.gz MDUQQZOIVPFFEK-OAHLLOKOSA-N 2 0 296.415 -0.249 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926293475 658890180 /nfs/dbraw/zinc/89/01/80/658890180.db2.gz NLZMEZLNPOZTSG-LLVKDONJSA-N 2 0 270.377 -0.796 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)CC[C@@H]1C[NH3+] ZINC000926295080 658890748 /nfs/dbraw/zinc/89/07/48/658890748.db2.gz YOBHYPCNJNFGPN-VXGBXAGGSA-N 2 0 284.404 -0.550 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC[C@H]1C[NH3+] ZINC000926300023 658891261 /nfs/dbraw/zinc/89/12/61/658891261.db2.gz SNVFYMSOHMEXSQ-STQMWFEESA-N 2 0 298.431 -0.160 20 0 CBADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926334932 658892982 /nfs/dbraw/zinc/89/29/82/658892982.db2.gz WEFBZEFOFDBLNP-OLZOCXBDSA-N 2 0 296.415 -0.406 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000926335102 658893372 /nfs/dbraw/zinc/89/33/72/658893372.db2.gz PVSWWGCJFRTEQX-OLZOCXBDSA-N 2 0 294.399 -0.510 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C[C@@H]1[NH+](C)C ZINC000926340427 658893749 /nfs/dbraw/zinc/89/37/49/658893749.db2.gz GEQRBKQNAUKIHE-KKOKHZNYSA-N 2 0 282.388 -0.800 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)C[C@H]1[NH3+] ZINC000926340426 658894056 /nfs/dbraw/zinc/89/40/56/658894056.db2.gz GEQRBKQNAUKIHE-DDHJBXDOSA-N 2 0 282.388 -0.800 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C[C@H]1[NH+](C)C ZINC000926341098 658895130 /nfs/dbraw/zinc/89/51/30/658895130.db2.gz ITZMUFSTDVAMAA-FRRDWIJNSA-N 2 0 296.415 -0.408 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH3+] ZINC000926347958 658896080 /nfs/dbraw/zinc/89/60/80/658896080.db2.gz PSNCRSNCFRDBQO-MROQNXINSA-N 2 0 296.415 -0.267 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)C[C@H]1[NH3+] ZINC000926418788 658899813 /nfs/dbraw/zinc/89/98/13/658899813.db2.gz VITBLPQGMPZKDJ-DGCLKSJQSA-N 2 0 296.415 -0.408 20 0 CBADRP CCO[C@@H](CNC(=O)NCC[NH+]1CCC1)C[NH+](C)C ZINC000926834830 658915792 /nfs/dbraw/zinc/91/57/92/658915792.db2.gz AHFXZERLNCMDSM-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC000968922344 658944743 /nfs/dbraw/zinc/94/47/43/658944743.db2.gz YKEVJMFWOZWUTC-GHMZBOCLSA-N 2 0 282.388 -0.465 20 0 CBADRP O=C([C@@H]1CCn2cncc2C1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969124166 658949922 /nfs/dbraw/zinc/94/99/22/658949922.db2.gz ACWADILWNGOQLG-VXGBXAGGSA-N 2 0 278.356 -0.372 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCn3cncc3C2)C1 ZINC000969124724 658952006 /nfs/dbraw/zinc/95/20/06/658952006.db2.gz KXQGPECVCWUTTF-WDEREUQCSA-N 2 0 291.355 -0.879 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000969066291 658952445 /nfs/dbraw/zinc/95/24/45/658952445.db2.gz QHCGYMQEPRQSBO-GFCCVEGCSA-N 2 0 294.399 -0.462 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC000969627009 659009345 /nfs/dbraw/zinc/00/93/45/659009345.db2.gz MDACAZGGPPBLMV-UTUOFQBUSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC000969814128 659020187 /nfs/dbraw/zinc/02/01/87/659020187.db2.gz ISECFXUIYHYAEU-CMPLNLGQSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000969956493 659024946 /nfs/dbraw/zinc/02/49/46/659024946.db2.gz XDYBAMQRSBJMQL-VXGBXAGGSA-N 2 0 255.362 -0.489 20 0 CBADRP O=C(Cc1cnc[nH]1)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000970103016 659033884 /nfs/dbraw/zinc/03/38/84/659033884.db2.gz KMQPJVGTSHUGNI-MWLCHTKSSA-N 2 0 277.328 -0.969 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000928555150 659038078 /nfs/dbraw/zinc/03/80/78/659038078.db2.gz LUSGGFIETCCJFD-NEPJUHHUSA-N 2 0 252.362 -0.803 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2C)CC1=O ZINC000928562304 659045605 /nfs/dbraw/zinc/04/56/05/659045605.db2.gz HVEVKEGJGRIUNB-NEPJUHHUSA-N 2 0 282.388 -0.783 20 0 CBADRP C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000970355308 659052608 /nfs/dbraw/zinc/05/26/08/659052608.db2.gz LIFYSQBFCFMPNT-QWHCGFSZSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC000970489876 659060159 /nfs/dbraw/zinc/06/01/59/659060159.db2.gz HQNCMHWALFYHFK-GHMZBOCLSA-N 2 0 280.372 -0.854 20 0 CBADRP O=C(C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)N1CCC1 ZINC000970719863 659069175 /nfs/dbraw/zinc/06/91/75/659069175.db2.gz MELKBZOOYMODPD-CYBMUJFWSA-N 2 0 294.399 -0.495 20 0 CBADRP C[C@H](O)[C@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000929283431 659111951 /nfs/dbraw/zinc/11/19/51/659111951.db2.gz IQEGGDAEZCOBNF-GXTWGEPZSA-N 2 0 272.389 -0.228 20 0 CBADRP C[C@H](O)[C@@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000929283432 659112533 /nfs/dbraw/zinc/11/25/33/659112533.db2.gz IQEGGDAEZCOBNF-JSGCOSHPSA-N 2 0 272.389 -0.228 20 0 CBADRP C[C@@H](O)C[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)C[C@H](C)O ZINC000929706825 659161785 /nfs/dbraw/zinc/16/17/85/659161785.db2.gz SPDHNXVYSWKHNO-GRYCIOLGSA-N 2 0 275.393 -0.884 20 0 CBADRP C[C@@H](O)[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000929836046 659179257 /nfs/dbraw/zinc/17/92/57/659179257.db2.gz PHMAGXAYUWENQU-DGCLKSJQSA-N 2 0 251.330 -0.055 20 0 CBADRP C[C@H](O)[C@H](O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000930059453 659201225 /nfs/dbraw/zinc/20/12/25/659201225.db2.gz DDETZOQXGHUMND-ODXJTPSBSA-N 2 0 272.389 -0.088 20 0 CBADRP CN(CC[N@H+](C)C[C@H](O)CO)C1CC[NH+](C)CC1 ZINC000930115016 659210601 /nfs/dbraw/zinc/21/06/01/659210601.db2.gz RKWHDEVGRKUHIL-ZDUSSCGKSA-N 2 0 259.394 -0.703 20 0 CBADRP C[C@H](O)[C@H](O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000930136964 659217249 /nfs/dbraw/zinc/21/72/49/659217249.db2.gz PXFASIQTHJUFAS-ZQDZILKHSA-N 2 0 285.432 -0.314 20 0 CBADRP C[C@H](O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000980833822 659292962 /nfs/dbraw/zinc/29/29/62/659292962.db2.gz KVVFMBNMPVGQNN-STQMWFEESA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000985333115 659380775 /nfs/dbraw/zinc/38/07/75/659380775.db2.gz XRQRAZPYGFDRCC-DGCLKSJQSA-N 2 0 296.415 -0.123 20 0 CBADRP C[NH+](CC(N)=O)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000985468046 659386612 /nfs/dbraw/zinc/38/66/12/659386612.db2.gz OMGFQQGZXQODOD-UHFFFAOYSA-N 2 0 296.415 -0.121 20 0 CBADRP CC[C@H](C(=O)N1CCC([N@H+](C)CC(N)=O)CC1)[NH+](C)C ZINC000985493826 659387338 /nfs/dbraw/zinc/38/73/38/659387338.db2.gz XXFXKQOIYGTITA-GFCCVEGCSA-N 2 0 284.404 -0.265 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH+](C)CC(N)=O)CC2)C1 ZINC000985653188 659395570 /nfs/dbraw/zinc/39/55/70/659395570.db2.gz JCUBWGCYRMQFRR-LBPRGKRZSA-N 2 0 296.415 -0.264 20 0 CBADRP C[N@H+](CCO)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000985758514 659397807 /nfs/dbraw/zinc/39/78/07/659397807.db2.gz JHRVPZIPZITNCC-UHFFFAOYSA-N 2 0 281.400 -0.003 20 0 CBADRP C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000986352339 659447483 /nfs/dbraw/zinc/44/74/83/659447483.db2.gz GKTQQMBSSUWIHX-CMPLNLGQSA-N 2 0 282.388 -0.465 20 0 CBADRP C[NH+]1CCN(C2CC[NH+](C[C@@H](O)C3(O)CCC3)CC2)CC1 ZINC000931548137 659484368 /nfs/dbraw/zinc/48/43/68/659484368.db2.gz GLGAFMGGKFNBHD-OAHLLOKOSA-N 2 0 297.443 -0.026 20 0 CBADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@@H](O)CO ZINC000931763056 659522692 /nfs/dbraw/zinc/52/26/92/659522692.db2.gz DSYRZLRKDZBZFO-DGCLKSJQSA-N 2 0 251.330 -0.055 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC[N@@H+](CCO)CC1 ZINC000989669705 659605869 /nfs/dbraw/zinc/60/58/69/659605869.db2.gz HBKIEPIXOIHRBH-UHFFFAOYSA-N 2 0 255.362 -0.391 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[NH+](CCCO)CC2)C1 ZINC000989665277 659606701 /nfs/dbraw/zinc/60/67/01/659606701.db2.gz CUOWYKIQTZURMD-CYBMUJFWSA-N 2 0 269.389 -0.145 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)C[NH+]1CCCC1 ZINC000989798841 659615658 /nfs/dbraw/zinc/61/56/58/659615658.db2.gz GQBCWFTWVQGIDY-MNOVXSKESA-N 2 0 268.361 -0.854 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CCO)CN1C(=O)C[NH+]1CCCC1 ZINC000989796663 659615741 /nfs/dbraw/zinc/61/57/41/659615741.db2.gz PCXKAQPIYKPMID-NWDGAFQWSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CC[NH+]1CCCCC1 ZINC000989829707 659616836 /nfs/dbraw/zinc/61/68/36/659616836.db2.gz VGSWWFXJDQEHCO-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000990275945 659711055 /nfs/dbraw/zinc/71/10/55/659711055.db2.gz FNYUMRKERIDVJK-QWHCGFSZSA-N 2 0 294.399 -0.450 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCO)CC1 ZINC000990276319 659711115 /nfs/dbraw/zinc/71/11/15/659711115.db2.gz GYUMYSKJVDRYJN-LBPRGKRZSA-N 2 0 255.362 -0.347 20 0 CBADRP CN1CCN(C[C@H](O)C[NH+]2CCCC2)CC[N@H+](C)CC1 ZINC000933998572 659756707 /nfs/dbraw/zinc/75/67/07/659756707.db2.gz JXVFXNCYBHFMLL-OAHLLOKOSA-N 2 0 284.448 -0.378 20 0 CBADRP C[N@H+](C[C@H](O)CN1CC[C@H]2[C@@H]1CCC[NH+]2CCO)C1CC1 ZINC000934270747 659798638 /nfs/dbraw/zinc/79/86/38/659798638.db2.gz YCEAUCWLESNTIC-JYJNAYRXSA-N 2 0 297.443 -0.028 20 0 CBADRP C[C@H](NC(=O)COC1CC[NH+](C)CC1)[C@H]1CN(C)CCO1 ZINC000934967722 659813926 /nfs/dbraw/zinc/81/39/26/659813926.db2.gz XQZNMWWNSVVWEF-GXTWGEPZSA-N 2 0 299.415 -0.068 20 0 CBADRP CC[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC000991708334 659841541 /nfs/dbraw/zinc/84/15/41/659841541.db2.gz FKTBXKVVSDLFHE-YPMHNXCESA-N 2 0 296.415 -0.395 20 0 CBADRP C[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000991710299 659841552 /nfs/dbraw/zinc/84/15/52/659841552.db2.gz MNGJDSXYCDLZFU-AAEUAGOBSA-N 2 0 294.399 -0.641 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC000991749268 659844302 /nfs/dbraw/zinc/84/43/02/659844302.db2.gz QMJJTUIEUZLBRM-CYBMUJFWSA-N 2 0 294.399 -0.497 20 0 CBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCO ZINC000939550689 659890857 /nfs/dbraw/zinc/89/08/57/659890857.db2.gz ONWDVJVYJMWVDW-RYUDHWBXSA-N 2 0 267.373 -0.489 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCO ZINC000939758968 659895420 /nfs/dbraw/zinc/89/54/20/659895420.db2.gz JLGMCSLHXXFSMB-VXGBXAGGSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)CC[N@@H+]1C ZINC000995836034 659910289 /nfs/dbraw/zinc/91/02/89/659910289.db2.gz YZIYJIGRAKDACN-UTUOFQBUSA-N 2 0 296.415 -0.362 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)Cn2ccnc2)CC[N@@H+]1CCO ZINC000948090245 659965803 /nfs/dbraw/zinc/96/58/03/659965803.db2.gz HNDBSDZIFQDBRW-NEPJUHHUSA-N 2 0 266.345 -0.156 20 0 CBADRP C[NH+]1CCN(c2ccc(N3C[C@@H]4[C@@H]([NH3+])[C@@H]4C3)nn2)CC1 ZINC001164439582 718983281 /nfs/dbraw/zinc/98/32/81/718983281.db2.gz FXRVOJIQFQUIAI-YABSGUDNSA-N 2 0 274.372 -0.378 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001076574589 805579856 /nfs/dbraw/zinc/57/98/56/805579856.db2.gz KUIFFCFIDXKMMH-HZSPNIEDSA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001076588001 805583889 /nfs/dbraw/zinc/58/38/89/805583889.db2.gz IGFLFHUJFIKPPS-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)CNC(=O)C[NH3+])CC1 ZINC000037626340 790321058 /nfs/dbraw/zinc/32/10/58/790321058.db2.gz NYRXPXKWIWLEOG-UHFFFAOYSA-N 2 0 256.350 -0.996 20 0 CBADRP [NH3+]CCn1cc(C(=O)NC2CCC([NH3+])CC2)nn1 ZINC000089700952 790368686 /nfs/dbraw/zinc/36/86/86/790368686.db2.gz BQOIZRLOGDCKAR-UHFFFAOYSA-N 2 0 252.322 -0.764 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000091310427 790371784 /nfs/dbraw/zinc/37/17/84/790371784.db2.gz FWRWRIHJSKCVKZ-CYBMUJFWSA-N 2 0 284.404 -0.881 20 0 CBADRP O=C(NC[C@H]1CCC[N@@H+](CCO)C1)[C@@H]1CCC[NH2+]1 ZINC000135409912 790393336 /nfs/dbraw/zinc/39/33/36/790393336.db2.gz MJUPGOUCSKPQAS-NEPJUHHUSA-N 2 0 255.362 -0.441 20 0 CBADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](O)CO[C@H](C)COC)C1 ZINC000300262164 790468555 /nfs/dbraw/zinc/46/85/55/790468555.db2.gz PYQXYJCIXCGKPW-AGIUHOORSA-N 2 0 260.378 -0.060 20 0 CBADRP C[NH2+][C@@H](C)c1cn(CCN2CC[NH+](C)CC2)nn1 ZINC000381162982 790518628 /nfs/dbraw/zinc/51/86/28/790518628.db2.gz ABXYHDYKDDVVOH-NSHDSACASA-N 2 0 252.366 -0.194 20 0 CBADRP C[N@H+](C[C@H](O)C[NH+]1CCCC1)CC1(O)CCOCC1 ZINC000381571003 790520392 /nfs/dbraw/zinc/52/03/92/790520392.db2.gz GOFWIBVIJLHFQI-ZDUSSCGKSA-N 2 0 272.389 -0.084 20 0 CBADRP [NH3+]C[C@@H]1CCCC[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000382181657 790523091 /nfs/dbraw/zinc/52/30/91/790523091.db2.gz UCOLQCYBYNPGSS-UONOGXRCSA-N 2 0 271.405 -0.260 20 0 CBADRP COCC(COC)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000384956374 790540385 /nfs/dbraw/zinc/54/03/85/790540385.db2.gz MPYTXAKIHWIYDC-LBPRGKRZSA-N 2 0 257.378 -0.373 20 0 CBADRP C[NH2+]CC1CC[NH+](C[C@H](O)CN(C)CCOC)CC1 ZINC000388734163 790559700 /nfs/dbraw/zinc/55/97/00/790559700.db2.gz KLRYIUNLCPRBAQ-CQSZACIVSA-N 2 0 273.421 -0.143 20 0 CBADRP COCCOC[C@H](O)C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392880032 790569169 /nfs/dbraw/zinc/56/91/69/790569169.db2.gz ROBYKDQRAFDVKQ-CYBMUJFWSA-N 2 0 258.362 -0.138 20 0 CBADRP CCNS(=O)(=O)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400993292 790604434 /nfs/dbraw/zinc/60/44/34/790604434.db2.gz ZZNWCDDTJNLLLS-IJLUTSLNSA-N 2 0 275.418 -0.097 20 0 CBADRP CCO[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000405530602 790618918 /nfs/dbraw/zinc/61/89/18/790618918.db2.gz MQVXFNIJBQEACF-MGPQQGTHSA-N 2 0 271.405 -0.261 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(CCN2CCCS2(=O)=O)C1 ZINC000695077033 790687166 /nfs/dbraw/zinc/68/71/66/790687166.db2.gz MYWZTHQMUBOGHN-QWRGUYRKSA-N 2 0 261.391 -0.309 20 0 CBADRP C[NH2+]C[C@@H]1CCN(CCN2CCCS2(=O)=O)C1 ZINC000695060093 790687210 /nfs/dbraw/zinc/68/72/10/790687210.db2.gz VPTCPMBEIPCZSB-NSHDSACASA-N 2 0 261.391 -0.437 20 0 CBADRP CCO[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1C[NH3+] ZINC000695182200 790689257 /nfs/dbraw/zinc/68/92/57/790689257.db2.gz DKCBTZOZVLBTSB-VXGBXAGGSA-N 2 0 291.417 -0.683 20 0 CBADRP CN(C)S(=O)(=O)N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000696198856 790689365 /nfs/dbraw/zinc/68/93/65/790689365.db2.gz SGAYWFUUERMJOS-NEPJUHHUSA-N 2 0 290.433 -0.462 20 0 CBADRP NC(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000700772597 790710197 /nfs/dbraw/zinc/71/01/97/790710197.db2.gz FOHATXWDOIFSRL-FOSCPWQOSA-N 2 0 252.362 -0.628 20 0 CBADRP CN(C)C(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000700792034 790710279 /nfs/dbraw/zinc/71/02/79/790710279.db2.gz ZSRZIEYNFKPMED-PBWFPOADSA-N 2 0 280.416 -0.025 20 0 CBADRP O[C@H](CN1CCOCC1)CN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000714976504 790751823 /nfs/dbraw/zinc/75/18/23/790751823.db2.gz WAPCERSMSTUPHV-RBSFLKMASA-N 2 0 283.416 -0.247 20 0 CBADRP [NH3+]CCOCC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000720435696 790765197 /nfs/dbraw/zinc/76/51/97/790765197.db2.gz JSAIMYXLWGQVCD-WDEREUQCSA-N 2 0 273.402 -0.342 20 0 CBADRP CN1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000720514012 790765978 /nfs/dbraw/zinc/76/59/78/790765978.db2.gz SMMDJDAQNPJWNI-KGLIPLIRSA-N 2 0 280.416 -0.023 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720830996 790771599 /nfs/dbraw/zinc/77/15/99/790771599.db2.gz URRXMHDVRWSSAK-VXGBXAGGSA-N 2 0 259.394 -0.405 20 0 CBADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000720896740 790772582 /nfs/dbraw/zinc/77/25/82/790772582.db2.gz DJTAGSOKGNHCDT-NNYUYHANSA-N 2 0 253.346 -0.202 20 0 CBADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[NH2+]CCO1 ZINC000720889858 790772897 /nfs/dbraw/zinc/77/28/97/790772897.db2.gz QDHVKCXCVVUIOK-QJPTWQEYSA-N 2 0 253.346 -0.330 20 0 CBADRP COC[C@@H](CCC[NH3+])[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000721854889 790783992 /nfs/dbraw/zinc/78/39/92/790783992.db2.gz RBBYHJAFUAKHBM-GFCCVEGCSA-N 2 0 293.433 -0.245 20 0 CBADRP [NH3+]C1CCC(NS(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000722231754 790791771 /nfs/dbraw/zinc/79/17/71/790791771.db2.gz LPBHDUOYXRFXHO-VQXHTEKXSA-N 2 0 261.391 -0.072 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000723553926 790799156 /nfs/dbraw/zinc/79/91/56/790799156.db2.gz WUJRSZFKFZHFID-NEPJUHHUSA-N 2 0 257.378 -0.243 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000723553929 790800803 /nfs/dbraw/zinc/80/08/03/790800803.db2.gz WUJRSZFKFZHFID-NWDGAFQWSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1CC[NH3+] ZINC000723901757 790801653 /nfs/dbraw/zinc/80/16/53/790801653.db2.gz KBAVMZAEBXPTDV-VXGBXAGGSA-N 2 0 275.418 -0.061 20 0 CBADRP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723672139 790802183 /nfs/dbraw/zinc/80/21/83/790802183.db2.gz JNPKLYRVFBVJLK-SNVBAGLBSA-N 2 0 256.350 -0.107 20 0 CBADRP COCCN(C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723899527 790803629 /nfs/dbraw/zinc/80/36/29/790803629.db2.gz CWPVITWTAPTKNZ-MCIONIFRSA-N 2 0 273.421 -0.158 20 0 CBADRP [NH3+]CC1(O)CC[NH+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CC1 ZINC000724589060 790808711 /nfs/dbraw/zinc/80/87/11/790808711.db2.gz FFOLXVXRJFBTMT-SRVKXCTJSA-N 2 0 256.346 -0.424 20 0 CBADRP O[C@H](C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)C[NH+]1CCCC1 ZINC000724591329 790807975 /nfs/dbraw/zinc/80/79/75/790807975.db2.gz NURSQLVNKJCINB-SYQHCUMBSA-N 2 0 270.373 -0.163 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724575821 790808367 /nfs/dbraw/zinc/80/83/67/790808367.db2.gz CRROBYUNIWRMEE-HZSPNIEDSA-N 2 0 269.389 -0.373 20 0 CBADRP CN(C[C@H](O)C[NH+]1CCCC1)C1(C[NH3+])CCOCC1 ZINC000725053470 790816343 /nfs/dbraw/zinc/81/63/43/790816343.db2.gz XSYSSJJQTYLHAD-ZDUSSCGKSA-N 2 0 271.405 -0.117 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NC2CC([NH+](C)C)C2)C1 ZINC000908011660 790912481 /nfs/dbraw/zinc/91/24/81/790912481.db2.gz ORYJDNFSFLIPRQ-UHFFFAOYSA-N 2 0 268.405 -0.311 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001021906642 790968567 /nfs/dbraw/zinc/96/85/67/790968567.db2.gz UCFOSCJQYJIXHC-USZNOCQGSA-N 2 0 282.388 -0.419 20 0 CBADRP Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001021895241 790965586 /nfs/dbraw/zinc/96/55/86/790965586.db2.gz JOBLXINGKZYVOS-LOWVWBTDSA-N 2 0 292.387 -0.354 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001022076962 790987044 /nfs/dbraw/zinc/98/70/44/790987044.db2.gz GSIYGAMVCAMHEP-NDBYEHHHSA-N 2 0 294.399 -0.417 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001022068045 790987687 /nfs/dbraw/zinc/98/76/87/790987687.db2.gz CUIBSZQGWVKMAL-WUHRBBMRSA-N 2 0 296.415 -0.030 20 0 CBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001022119757 790991265 /nfs/dbraw/zinc/99/12/65/790991265.db2.gz HQMVDZHXBSNZFF-YVECIDJPSA-N 2 0 283.372 -0.921 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001022292691 791002642 /nfs/dbraw/zinc/00/26/42/791002642.db2.gz PQZHVYBWOURILT-QNWHQSFQSA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1)C(N)=O ZINC001022361654 791009375 /nfs/dbraw/zinc/00/93/75/791009375.db2.gz YONNVGAWLRFKBH-SDDRHHMPSA-N 2 0 294.399 -0.275 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022584788 791028857 /nfs/dbraw/zinc/02/88/57/791028857.db2.gz FWGILUNLWOOHAQ-UPJWGTAASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001022646484 791037790 /nfs/dbraw/zinc/03/77/90/791037790.db2.gz LUFUIQCOCXPVOM-JLLWLGSASA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001022646485 791038875 /nfs/dbraw/zinc/03/88/75/791038875.db2.gz LUFUIQCOCXPVOM-ZMLRMANQSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022717168 791040326 /nfs/dbraw/zinc/04/03/26/791040326.db2.gz RRFGRQKQTAFYMZ-WISYIIOYSA-N 2 0 255.362 -0.587 20 0 CBADRP C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1)C(N)=O ZINC001022712255 791041448 /nfs/dbraw/zinc/04/14/48/791041448.db2.gz NNWHXSVFUYXVPQ-WHOHXGKFSA-N 2 0 282.388 -0.419 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CCN2CCCC2=O)C1 ZINC001147894160 814924205 /nfs/dbraw/zinc/92/42/05/814924205.db2.gz ZRXANHPLUIFIBX-ZDUSSCGKSA-N 2 0 296.415 -0.344 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001076987144 805669176 /nfs/dbraw/zinc/66/91/76/805669176.db2.gz DNEOUVJFJAZPMV-HZSPNIEDSA-N 2 0 299.415 -0.597 20 0 CBADRP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077024498 805674219 /nfs/dbraw/zinc/67/42/19/805674219.db2.gz AEMCODHOWBZWSY-FDYHWXHSSA-N 2 0 269.389 -0.102 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CCn2cncn2)C1 ZINC001147893798 814924219 /nfs/dbraw/zinc/92/42/19/814924219.db2.gz UAZLWHBCLNORHI-LBPRGKRZSA-N 2 0 280.376 -0.674 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147886581 814924597 /nfs/dbraw/zinc/92/45/97/814924597.db2.gz XZPZTGJQOKBMBB-NEPJUHHUSA-N 2 0 273.377 -0.959 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147886325 814924673 /nfs/dbraw/zinc/92/46/73/814924673.db2.gz UIQJVRIOJGYVRI-CYBMUJFWSA-N 2 0 298.431 -0.194 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@H]2O)CC1 ZINC001077618238 805755768 /nfs/dbraw/zinc/75/57/68/805755768.db2.gz CLZYNYNUYNXIAO-ZIAGYGMSSA-N 2 0 281.400 -0.101 20 0 CBADRP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001077680650 805768080 /nfs/dbraw/zinc/76/80/80/805768080.db2.gz QLMIEYRONKHGIZ-JHJVBQTASA-N 2 0 269.389 -0.101 20 0 CBADRP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778366 805781252 /nfs/dbraw/zinc/78/12/52/805781252.db2.gz FYUQCEZUXWVFQP-ZIAGYGMSSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077779275 805784608 /nfs/dbraw/zinc/78/46/08/805784608.db2.gz IBQRPIFQBOZGIY-CHWSQXEVSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011708 805824757 /nfs/dbraw/zinc/82/47/57/805824757.db2.gz CPDJPPICVSDLAS-YNEHKIRRSA-N 2 0 299.390 -0.008 20 0 CBADRP O=C(C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2)N1CCCC1 ZINC001147970210 814927414 /nfs/dbraw/zinc/92/74/14/814927414.db2.gz BONHOWXLBVNLBO-UHFFFAOYSA-N 2 0 294.399 -0.590 20 0 CBADRP O=C(NCC[NH2+]CCn1cccn1)C12CC[NH+](CC1)C2 ZINC001147977048 814927653 /nfs/dbraw/zinc/92/76/53/814927653.db2.gz HJINPXHGKWFNPV-UHFFFAOYSA-N 2 0 277.372 -0.315 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001147994543 814928074 /nfs/dbraw/zinc/92/80/74/814928074.db2.gz JASRUUAKWPUKSD-LLVKDONJSA-N 2 0 280.372 -0.981 20 0 CBADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694887 806115809 /nfs/dbraw/zinc/11/58/09/806115809.db2.gz WEWMHYKOCYINLM-FDYHWXHSSA-N 2 0 285.388 -0.866 20 0 CBADRP COCCN1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082132685 806149294 /nfs/dbraw/zinc/14/92/94/806149294.db2.gz NIAATVVDKFZUMG-BFHYXJOUSA-N 2 0 299.415 -0.210 20 0 CBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082369835 806171102 /nfs/dbraw/zinc/17/11/02/806171102.db2.gz FFJASMSLRPODMD-JHJVBQTASA-N 2 0 285.388 -0.864 20 0 CBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC(N)=O ZINC001082741305 806193345 /nfs/dbraw/zinc/19/33/45/806193345.db2.gz WRCHTQJKZUXJDE-IJLUTSLNSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(N)=O ZINC001082862087 806196531 /nfs/dbraw/zinc/19/65/31/806196531.db2.gz YDEFGDFZCQMPFH-IJLUTSLNSA-N 2 0 282.388 -0.750 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001082863756 806196971 /nfs/dbraw/zinc/19/69/71/806196971.db2.gz XIPMGEMXPSHERL-JHJVBQTASA-N 2 0 281.400 -0.101 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001082943367 806198660 /nfs/dbraw/zinc/19/86/60/806198660.db2.gz GKAUTVIEXYBNRJ-JHJVBQTASA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C)C(N)=O ZINC001148058252 814930254 /nfs/dbraw/zinc/93/02/54/814930254.db2.gz UULCRLQSWRQMAF-NSHDSACASA-N 2 0 293.371 -0.269 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001148051588 814930284 /nfs/dbraw/zinc/93/02/84/814930284.db2.gz PGAQJDQNTOHGPA-LLVKDONJSA-N 2 0 291.355 -0.645 20 0 CBADRP O=C(N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083465808 806335176 /nfs/dbraw/zinc/33/51/76/806335176.db2.gz TWSIUIJEODEWAE-MCIONIFRSA-N 2 0 299.390 -0.151 20 0 CBADRP CC(C)[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472177 806335744 /nfs/dbraw/zinc/33/57/44/806335744.db2.gz JZENJJJLFGOBMH-LPWJVIDDSA-N 2 0 269.389 -0.104 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083525037 806355289 /nfs/dbraw/zinc/35/52/89/806355289.db2.gz WOPJQJLQAQYHRQ-MJBXVCDLSA-N 2 0 299.415 -0.597 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655059 806394697 /nfs/dbraw/zinc/39/46/97/806394697.db2.gz STIAPRISODZIJJ-DPWYMPPLSA-N 2 0 295.383 -0.969 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148051822 814930815 /nfs/dbraw/zinc/93/08/15/814930815.db2.gz XCOVJSJNUZVTGL-NSHDSACASA-N 2 0 296.371 -0.526 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750502 806423580 /nfs/dbraw/zinc/42/35/80/806423580.db2.gz ZPDMZSNUHVKLOT-NEPJUHHUSA-N 2 0 255.362 -0.491 20 0 CBADRP CC(C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781516 806430285 /nfs/dbraw/zinc/43/02/85/806430285.db2.gz KOYAXWFXTYOIGW-XQQFMLRXSA-N 2 0 269.389 -0.102 20 0 CBADRP CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084054151 806480848 /nfs/dbraw/zinc/48/08/48/806480848.db2.gz YLVXEMLSZOUZOZ-UPJWGTAASA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21)C1CC1 ZINC001084407399 806517561 /nfs/dbraw/zinc/51/75/61/806517561.db2.gz VDBROBTZXDBQNX-MCIONIFRSA-N 2 0 281.400 -0.148 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085152531 806548574 /nfs/dbraw/zinc/54/85/74/806548574.db2.gz HYFMCPUUHCPHNO-IJLUTSLNSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085332360 806554174 /nfs/dbraw/zinc/55/41/74/806554174.db2.gz UNYMGCJCNMVLJW-YNEHKIRRSA-N 2 0 296.415 -0.027 20 0 CBADRP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085598206 806584015 /nfs/dbraw/zinc/58/40/15/806584015.db2.gz OYUZMADOMHIQPG-KBPBESRZSA-N 2 0 281.400 -0.147 20 0 CBADRP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085972967 806628047 /nfs/dbraw/zinc/62/80/47/806628047.db2.gz LSFCJXLINIARRO-VXGBXAGGSA-N 2 0 255.362 -0.537 20 0 CBADRP CN(C[C@@H]1CC[N@@H+]1CCCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085973519 806630349 /nfs/dbraw/zinc/63/03/49/806630349.db2.gz YXDHLQBMIONSPX-STQMWFEESA-N 2 0 269.389 -0.147 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001086046201 806638634 /nfs/dbraw/zinc/63/86/34/806638634.db2.gz OSUSFVLHSVLQRC-YVECIDJPSA-N 2 0 294.399 -0.547 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001086046198 806639325 /nfs/dbraw/zinc/63/93/25/806639325.db2.gz OSUSFVLHSVLQRC-QNWHQSFQSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1)C(N)=O ZINC001022809292 798842528 /nfs/dbraw/zinc/84/25/28/798842528.db2.gz JDZVPHFUCCHMJB-RTXFEEFZSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022975726 798870696 /nfs/dbraw/zinc/87/06/96/798870696.db2.gz SJEFUSMKUTZAHW-RVMXOQNASA-N 2 0 296.415 -0.171 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001022973532 798871034 /nfs/dbraw/zinc/87/10/34/798871034.db2.gz OBJMAIPRRJPRPR-FVCCEPFGSA-N 2 0 294.399 -0.547 20 0 CBADRP O=C(N[C@@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001022981411 798871624 /nfs/dbraw/zinc/87/16/24/798871624.db2.gz NTKOCYJYSVEYIM-TUAOUCFPSA-N 2 0 292.383 -0.793 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001023084067 798879351 /nfs/dbraw/zinc/87/93/51/798879351.db2.gz HUNMOOBDDCHNLQ-UPJWGTAASA-N 2 0 294.399 -0.593 20 0 CBADRP Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023084433 798879677 /nfs/dbraw/zinc/87/96/77/798879677.db2.gz OXUSBRVINFWDQI-SDDRHHMPSA-N 2 0 292.387 -0.496 20 0 CBADRP Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023084434 798879780 /nfs/dbraw/zinc/87/97/80/798879780.db2.gz OXUSBRVINFWDQI-UTUOFQBUSA-N 2 0 292.387 -0.496 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001023086667 798879892 /nfs/dbraw/zinc/87/98/92/798879892.db2.gz SZASUUBNTYJYKE-NNYUYHANSA-N 2 0 282.388 -0.561 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001023128669 798885304 /nfs/dbraw/zinc/88/53/04/798885304.db2.gz OBEZOPXPIHQYGN-FVCCEPFGSA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001023125894 798885711 /nfs/dbraw/zinc/88/57/11/798885711.db2.gz ZSKKORDICHFBDT-KKOKHZNYSA-N 2 0 282.388 -0.419 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCO)C1 ZINC001023275263 798897619 /nfs/dbraw/zinc/89/76/19/798897619.db2.gz HJBLTKPQEYEYSV-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001025787213 798976153 /nfs/dbraw/zinc/97/61/53/798976153.db2.gz AROKOIFXSCBENA-HWKXDMQWSA-N 2 0 293.411 -0.245 20 0 CBADRP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025799044 798976639 /nfs/dbraw/zinc/97/66/39/798976639.db2.gz QLHFHQFOPFVXOK-ODXJTPSBSA-N 2 0 279.384 -0.084 20 0 CBADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001026145890 798993059 /nfs/dbraw/zinc/99/30/59/798993059.db2.gz VKQJEULRYFUBRC-FHUSYTEZSA-N 2 0 294.399 -0.881 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC2CCC([NH2+]CC(N)=O)CC2)C1 ZINC001026561314 799009713 /nfs/dbraw/zinc/00/97/13/799009713.db2.gz VOCYYHSOGQOHFW-PNESKVBLSA-N 2 0 296.415 -0.170 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027218083 799033393 /nfs/dbraw/zinc/03/33/93/799033393.db2.gz XJHDMYMKTMFJMO-QWHCGFSZSA-N 2 0 294.399 -0.591 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3cnon3)C2)C1 ZINC001027216871 799033844 /nfs/dbraw/zinc/03/38/44/799033844.db2.gz YNWOBYISTSALSW-VXGBXAGGSA-N 2 0 293.371 -0.041 20 0 CBADRP C[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681663 799064031 /nfs/dbraw/zinc/06/40/31/799064031.db2.gz ADXNAFAKDWJGLT-CYBMUJFWSA-N 2 0 269.389 -0.003 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001028446446 799137895 /nfs/dbraw/zinc/13/78/95/799137895.db2.gz GIGBNCPNXLLECO-MNOVXSKESA-N 2 0 268.361 -0.996 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCO)C1 ZINC001028445917 799138407 /nfs/dbraw/zinc/13/84/07/799138407.db2.gz XHUAOPZIERXUDQ-NWDGAFQWSA-N 2 0 255.362 -0.489 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001028635953 799156009 /nfs/dbraw/zinc/15/60/09/799156009.db2.gz HYTFXFLAJAMMCN-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001028762149 799168505 /nfs/dbraw/zinc/16/85/05/799168505.db2.gz GWFGJTSOHRVDHI-AVGNSLFASA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028778814 799169986 /nfs/dbraw/zinc/16/99/86/799169986.db2.gz MFTVFTKKWNYTJM-VXGBXAGGSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028933736 799181181 /nfs/dbraw/zinc/18/11/81/799181181.db2.gz SRJPAGBBZMPPAC-OLZOCXBDSA-N 2 0 281.400 -0.099 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028985257 799184984 /nfs/dbraw/zinc/18/49/84/799184984.db2.gz JYCMPVOMXPFYFP-NEPJUHHUSA-N 2 0 282.388 -0.878 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001029552771 799202316 /nfs/dbraw/zinc/20/23/16/799202316.db2.gz CVKUMIGLOLEHTH-MELADBBJSA-N 2 0 281.400 -0.004 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031666931 799530167 /nfs/dbraw/zinc/53/01/67/799530167.db2.gz UIPILDIPXLMFSE-CYBMUJFWSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H](O)C[NH+]1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001031675866 799531967 /nfs/dbraw/zinc/53/19/67/799531967.db2.gz UQTWRYICDXQRPP-SMDDNHRTSA-N 2 0 281.400 -0.243 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031771793 799542309 /nfs/dbraw/zinc/54/23/09/799542309.db2.gz INHRRLWXXPXUQD-LBPRGKRZSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCCO)C1 ZINC001031977170 799568533 /nfs/dbraw/zinc/56/85/33/799568533.db2.gz XSYBWLUACGOJAI-WCQYABFASA-N 2 0 269.389 -0.386 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCO)CC[N@@H+]1C ZINC001032410955 799625623 /nfs/dbraw/zinc/62/56/23/799625623.db2.gz BYXSJFUOBYHRDO-ZOBORPQBSA-N 2 0 281.400 -0.006 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032733933 799661015 /nfs/dbraw/zinc/66/10/15/799661015.db2.gz NMQJBFQZMYJPDW-AGIUHOORSA-N 2 0 279.384 -0.252 20 0 CBADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](CCO)C1 ZINC001033083123 799716205 /nfs/dbraw/zinc/71/62/05/799716205.db2.gz VUAOCKAVBKKHAM-ZIAGYGMSSA-N 2 0 281.400 -0.147 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](CCO)C2)C1 ZINC001033416324 799752235 /nfs/dbraw/zinc/75/22/35/799752235.db2.gz OZEBGCQVXYOYFV-QWHCGFSZSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033657910 799776282 /nfs/dbraw/zinc/77/62/82/799776282.db2.gz OIGOLZCJRSFRQH-STQMWFEESA-N 2 0 269.389 -0.004 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034674028 799852047 /nfs/dbraw/zinc/85/20/47/799852047.db2.gz JRIJJWNPTVMTGF-JHJVBQTASA-N 2 0 296.415 -0.027 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001035126242 799870091 /nfs/dbraw/zinc/87/00/91/799870091.db2.gz WBETXARWMODFDP-CHWSQXEVSA-N 2 0 294.399 -0.449 20 0 CBADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036179613 799980832 /nfs/dbraw/zinc/98/08/32/799980832.db2.gz OBHIXUVTHRLPOP-AAEUAGOBSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CCO ZINC001036300122 799986660 /nfs/dbraw/zinc/98/66/60/799986660.db2.gz SPPQPNZOSZAYDS-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP NC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001036895789 800013014 /nfs/dbraw/zinc/01/30/14/800013014.db2.gz DPNXCBNHQWQXTM-QWHCGFSZSA-N 2 0 294.399 -0.510 20 0 CBADRP CN1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CC2CC2)C1 ZINC001038138311 800060105 /nfs/dbraw/zinc/06/01/05/800060105.db2.gz VFEILFMVRAMKCS-STQMWFEESA-N 2 0 267.373 -0.083 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038664402 801233340 /nfs/dbraw/zinc/23/33/40/801233340.db2.gz UWNAALADZIMBTB-AAEUAGOBSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCCO)CC1 ZINC001038671460 801236440 /nfs/dbraw/zinc/23/64/40/801236440.db2.gz QCELHMOZOGGLRS-CYBMUJFWSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038927688 801268756 /nfs/dbraw/zinc/26/87/56/801268756.db2.gz YZLJESFJMGGPST-VXGBXAGGSA-N 2 0 267.373 -0.347 20 0 CBADRP COCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039028275 801281272 /nfs/dbraw/zinc/28/12/72/801281272.db2.gz NBESGDUBVCDAID-NEPJUHHUSA-N 2 0 255.362 -0.225 20 0 CBADRP COCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039028286 801282182 /nfs/dbraw/zinc/28/21/82/801282182.db2.gz NBESGDUBVCDAID-VXGBXAGGSA-N 2 0 255.362 -0.225 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CC(N)=O)C2)C1)[NH+](C)C ZINC001041402040 801395030 /nfs/dbraw/zinc/39/50/30/801395030.db2.gz FNBPWKGCHPOEPS-IUODEOHRSA-N 2 0 296.415 -0.264 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@]3(CC[NH+](CCO)C3)C2)C1 ZINC001041830385 801421686 /nfs/dbraw/zinc/42/16/86/801421686.db2.gz GWWBJALIKLKBKN-HIFRSBDPSA-N 2 0 281.400 -0.145 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001045890873 801715273 /nfs/dbraw/zinc/71/52/73/801715273.db2.gz ULOXINQSZXDOEL-MCIONIFRSA-N 2 0 281.400 -0.004 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCO)C2)C1 ZINC001046838127 801795589 /nfs/dbraw/zinc/79/55/89/801795589.db2.gz FITKYEZFIWRJBD-YPMHNXCESA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047529312 801895116 /nfs/dbraw/zinc/89/51/16/801895116.db2.gz YDFOVVJAZJVBHR-IHRRRGAJSA-N 2 0 299.415 -0.643 20 0 CBADRP COC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047545333 801898947 /nfs/dbraw/zinc/89/89/47/801898947.db2.gz QOUUMPUBLQNVSJ-DRZSPHRISA-N 2 0 296.371 -0.509 20 0 CBADRP CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598277 801909377 /nfs/dbraw/zinc/90/93/77/801909377.db2.gz DHTIVDQFLUBURP-STQMWFEESA-N 2 0 281.400 -0.004 20 0 CBADRP CO[C@@H](C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047627614 801913295 /nfs/dbraw/zinc/91/32/95/801913295.db2.gz RXPOTAJUZHNXHI-IHRRRGAJSA-N 2 0 299.415 -0.379 20 0 CBADRP CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047628850 801915258 /nfs/dbraw/zinc/91/52/58/801915258.db2.gz QFOUMRXZYHHMKX-STQMWFEESA-N 2 0 269.389 -0.004 20 0 CBADRP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1)[NH+](C)C ZINC001048889963 801978562 /nfs/dbraw/zinc/97/85/62/801978562.db2.gz CPZZZERYNGFUOU-GRYCIOLGSA-N 2 0 282.388 -0.798 20 0 CBADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1)[NH+](C)C ZINC001049067312 801994740 /nfs/dbraw/zinc/99/47/40/801994740.db2.gz VMIGUOFMNFOMMA-XQQFMLRXSA-N 2 0 269.389 -0.291 20 0 CBADRP O=C(N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001049175018 802002285 /nfs/dbraw/zinc/00/22/85/802002285.db2.gz HZACFKDUEFAEMC-BETUJISGSA-N 2 0 279.384 -0.535 20 0 CBADRP O=C(N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1)[C@@]12CC[NH+](C1)CCC2 ZINC001049194005 802005607 /nfs/dbraw/zinc/00/56/07/802005607.db2.gz HYEKDJIZZBQOCV-LZWOXQAQSA-N 2 0 293.411 -0.145 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CCO)C[C@@H]3C2)C1 ZINC001049214948 802008671 /nfs/dbraw/zinc/00/86/71/802008671.db2.gz CYPFQAAYPWRUIW-RWMBFGLXSA-N 2 0 267.373 -0.679 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCO)C1 ZINC001049894680 802042554 /nfs/dbraw/zinc/04/25/54/802042554.db2.gz GTHUSVWLGFQWDV-MELADBBJSA-N 2 0 281.400 -0.004 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050456296 802064848 /nfs/dbraw/zinc/06/48/48/802064848.db2.gz GHCIGHAJUZOFPQ-ZDUSSCGKSA-N 2 0 281.400 -0.003 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001052248874 802189562 /nfs/dbraw/zinc/18/95/62/802189562.db2.gz BBJABZOKKCNAIV-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001052931960 802224645 /nfs/dbraw/zinc/22/46/45/802224645.db2.gz DZQGKPCTOKHMCC-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001054296433 802330188 /nfs/dbraw/zinc/33/01/88/802330188.db2.gz FKHMPERYHUUPLC-QJPTWQEYSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001054296794 802330250 /nfs/dbraw/zinc/33/02/50/802330250.db2.gz MPFQBBZGMMSYSE-QJPTWQEYSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001054296793 802330819 /nfs/dbraw/zinc/33/08/19/802330819.db2.gz MPFQBBZGMMSYSE-IJLUTSLNSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1[NH2+]CC(N)=O ZINC001054736542 802366584 /nfs/dbraw/zinc/36/65/84/802366584.db2.gz KJMURTVEGBWHCL-PWSUYJOCSA-N 2 0 282.388 -0.608 20 0 CBADRP CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001055577934 802397894 /nfs/dbraw/zinc/39/78/94/802397894.db2.gz FYDFBSUZILAIPU-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210183 814934956 /nfs/dbraw/zinc/93/49/56/814934956.db2.gz ISISRBGZPCMJPG-CYBMUJFWSA-N 2 0 299.415 -0.520 20 0 CBADRP C[C@H]1C[C@H](NC(=O)c2cn(CCC[NH3+])nn2)CC[NH2+]1 ZINC001118146855 812479212 /nfs/dbraw/zinc/47/92/12/812479212.db2.gz DLNITHWCAURQDD-VHSXEESVSA-N 2 0 266.349 -0.503 20 0 CBADRP [NH3+]C[C@@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H]1C(F)(F)F ZINC001119618769 812835995 /nfs/dbraw/zinc/83/59/95/812835995.db2.gz RGRCZFKPDGKIFH-KGDYZURWSA-N 2 0 267.295 -0.094 20 0 CBADRP COCCc1noc(CN2CC[NH2+]CC[NH2+]CC2)n1 ZINC001119683085 812866341 /nfs/dbraw/zinc/86/63/41/812866341.db2.gz XSOOCRRFOXCOSC-UHFFFAOYSA-N 2 0 269.349 -0.747 20 0 CBADRP O=C(N1CC[C@H](N2CC[NH2+]CC2)C1)C12CC(C1)C[NH2+]2 ZINC001121935910 813091362 /nfs/dbraw/zinc/09/13/62/813091362.db2.gz FVDBDDGLKWDBTI-LXVYMNJGSA-N 2 0 264.373 -0.756 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001122021757 813105563 /nfs/dbraw/zinc/10/55/63/813105563.db2.gz OAXGUKOAMDSOHT-IJLUTSLNSA-N 2 0 252.362 -0.900 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC001122101011 813117605 /nfs/dbraw/zinc/11/76/05/813117605.db2.gz UXPWGYWYTIVYIT-RYUDHWBXSA-N 2 0 254.378 -0.380 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCC2(C[NH2+]C2)CC1 ZINC001122130622 813121447 /nfs/dbraw/zinc/12/14/47/813121447.db2.gz XRUGJHOWWVCLKA-CQSZACIVSA-N 2 0 267.373 -0.297 20 0 CBADRP CCC1([NH3+])CCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001122132011 813121624 /nfs/dbraw/zinc/12/16/24/813121624.db2.gz PKHUKWFUKJTZPM-ZYHUDNBSSA-N 2 0 255.362 -0.171 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001122176042 813127777 /nfs/dbraw/zinc/12/77/77/813127777.db2.gz UXSYZPFTQXTCNR-FMCLSXCISA-N 2 0 267.373 -0.313 20 0 CBADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001122176159 813128236 /nfs/dbraw/zinc/12/82/36/813128236.db2.gz VGVBYZJZSOMWJD-DYEKYZERSA-N 2 0 267.373 -0.441 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[C@@H]1COCC[NH2+]1)C2 ZINC001122404509 813160470 /nfs/dbraw/zinc/16/04/70/813160470.db2.gz YZIKSWOFZMCJPL-QCNOEVLYSA-N 2 0 253.346 -0.297 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)c1cn(CCCC[NH3+])nn1 ZINC001122418569 813162802 /nfs/dbraw/zinc/16/28/02/813162802.db2.gz HNPRLKZFJXGFJF-NSHDSACASA-N 2 0 296.375 -0.923 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC001122426508 813163843 /nfs/dbraw/zinc/16/38/43/813163843.db2.gz IIOPMJNTNNFQHS-NXEZZACHSA-N 2 0 263.345 -0.122 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC001122426509 813164073 /nfs/dbraw/zinc/16/40/73/813164073.db2.gz IIOPMJNTNNFQHS-UWVGGRQHSA-N 2 0 263.345 -0.122 20 0 CBADRP CCN(C(=O)[C@H]1CCCN(CC[NH3+])C1=O)[C@H]1CCC[NH2+]C1 ZINC001122608942 813180990 /nfs/dbraw/zinc/18/09/90/813180990.db2.gz OGPRRQBCJUPJGE-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)COC[C@H](O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133291295 814237136 /nfs/dbraw/zinc/23/71/36/814237136.db2.gz OIQIUYAFPXZOAM-CYBMUJFWSA-N 2 0 289.420 -0.323 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001133291013 814237183 /nfs/dbraw/zinc/23/71/83/814237183.db2.gz HSQVTYHJKPGWBV-SNVBAGLBSA-N 2 0 258.366 -0.879 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001133290954 814237265 /nfs/dbraw/zinc/23/72/65/814237265.db2.gz GCFVETOBYJNGGG-LLVKDONJSA-N 2 0 286.420 -0.053 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133291193 814237286 /nfs/dbraw/zinc/23/72/86/814237286.db2.gz KZSBVCAKPZVGGM-NSHDSACASA-N 2 0 272.393 -0.441 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001133291306 814237489 /nfs/dbraw/zinc/23/74/89/814237489.db2.gz ORIGJNLEEJHBCF-UHFFFAOYSA-N 2 0 283.332 -0.729 20 0 CBADRP C[C@H](C[NH2+]CCNC(=O)CC[NH+](C)C)CS(C)(=O)=O ZINC001133291001 814238428 /nfs/dbraw/zinc/23/84/28/814238428.db2.gz HEABQRYBFKSLES-LLVKDONJSA-N 2 0 293.433 -0.675 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C1(F)CCOCC1 ZINC001142610662 814723737 /nfs/dbraw/zinc/72/37/37/814723737.db2.gz JNTIMBMUXYNQOF-UHFFFAOYSA-N 2 0 260.313 -0.034 20 0 CBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)C2C[NH+](C)C2)CC1 ZINC001142604532 814723789 /nfs/dbraw/zinc/72/37/89/814723789.db2.gz BJUHEDQYOXOOSK-UHFFFAOYSA-N 2 0 283.372 -0.179 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C1(C(N)=O)CC1 ZINC001143171553 814761851 /nfs/dbraw/zinc/76/18/51/814761851.db2.gz ROXPNOAGVKXDIS-UHFFFAOYSA-N 2 0 269.349 -0.684 20 0 CBADRP CN(CC(=O)N1CCCc2ccc(C[NH3+])nc21)C(N)=[NH2+] ZINC001144143884 814773812 /nfs/dbraw/zinc/77/38/12/814773812.db2.gz SXAKMCJJZNVZJL-UHFFFAOYSA-N 2 0 276.344 -0.355 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)CCCC[NH+](C)C)C(=O)N(C)C ZINC001148365191 814941267 /nfs/dbraw/zinc/94/12/67/814941267.db2.gz KQUQYRHLOULLQR-LBPRGKRZSA-N 2 0 286.420 -0.099 20 0 CBADRP C[NH+](C)CCCCC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001148360651 814941441 /nfs/dbraw/zinc/94/14/41/814941441.db2.gz ZECZHNLUWBMVRH-NSHDSACASA-N 2 0 298.387 -0.771 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CCn1cncn1 ZINC001148577785 814951029 /nfs/dbraw/zinc/95/10/29/814951029.db2.gz CVORDCFKLDKQPV-UHFFFAOYSA-N 2 0 282.392 -0.284 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CCOCCO ZINC001148573222 814951099 /nfs/dbraw/zinc/95/10/99/814951099.db2.gz ROLHLXFOEQIZEE-UHFFFAOYSA-N 2 0 275.393 -0.567 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC ZINC001148570790 814951270 /nfs/dbraw/zinc/95/12/70/814951270.db2.gz MCHQGHHQZJJLRA-UHFFFAOYSA-N 2 0 258.366 -0.830 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001148577852 814950466 /nfs/dbraw/zinc/95/04/66/814950466.db2.gz GQYKNCOUIKEANM-NSHDSACASA-N 2 0 272.393 -0.441 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001148577851 814950830 /nfs/dbraw/zinc/95/08/30/814950830.db2.gz GQYKNCOUIKEANM-LLVKDONJSA-N 2 0 272.393 -0.441 20 0 CBADRP C[NH+](C)CCOCC(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001148611956 814953315 /nfs/dbraw/zinc/95/33/15/814953315.db2.gz TXKIGKFYRNLMFK-UHFFFAOYSA-N 2 0 285.388 -0.909 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]C[C@H](O)COC ZINC001148638099 814954631 /nfs/dbraw/zinc/95/46/31/814954631.db2.gz CCSHQPKOHXHAJY-NSHDSACASA-N 2 0 261.366 -0.959 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001148642929 814954925 /nfs/dbraw/zinc/95/49/25/814954925.db2.gz QSTPJZXKCHYAJW-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+]([C@H](C)C(N)=O)C2 ZINC001148652216 814955848 /nfs/dbraw/zinc/95/58/48/814955848.db2.gz ZWNZHAXXPAGIKQ-GFCCVEGCSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001321652967 803796879 /nfs/dbraw/zinc/79/68/79/803796879.db2.gz SKSVYGFALMYFNZ-VWYCJHECSA-N 2 0 298.387 -0.774 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)C[NH2+]CCN1CCNC1=O)[NH+](C)C ZINC001321710592 803805504 /nfs/dbraw/zinc/80/55/04/803805504.db2.gz QZEQXQOGXNHASD-VXGBXAGGSA-N 2 0 299.419 -0.554 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC)[NH+](C)C ZINC001321710495 803806427 /nfs/dbraw/zinc/80/64/27/803806427.db2.gz OXRLRQNHLVTZSA-NXEZZACHSA-N 2 0 258.366 -0.833 20 0 CBADRP CCCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001321740314 803808660 /nfs/dbraw/zinc/80/86/60/803808660.db2.gz VZYOVSYPXAZQTQ-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](C[NH2+]CCN1CCNC1=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001321740658 803808939 /nfs/dbraw/zinc/80/89/39/803808939.db2.gz ZRYBTEUUGLIJJS-VXGBXAGGSA-N 2 0 297.403 -0.942 20 0 CBADRP C[C@@H](C[N@H+](C)CCOCCO)NC(=O)[C@H]1CCC[NH+]1C ZINC001322131285 803865699 /nfs/dbraw/zinc/86/56/99/803865699.db2.gz XGFMCNMAOKUQCM-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001322757805 803934331 /nfs/dbraw/zinc/93/43/31/803934331.db2.gz PDDJUOWYFRAOKE-KPWCQOOUSA-N 3 0 250.390 -0.711 20 0 CBADRP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001322757808 803934755 /nfs/dbraw/zinc/93/47/55/803934755.db2.gz PDDJUOWYFRAOKE-SYQHCUMBSA-N 3 0 250.390 -0.711 20 0 CBADRP CN(CCC[NH2+]CC(=O)NC1CC1)C(=O)C[NH+]1CCCC1 ZINC001322834517 803946694 /nfs/dbraw/zinc/94/66/94/803946694.db2.gz DWUQPEMVORJRBG-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP CN(C)C(=O)CN1CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001323340091 804012537 /nfs/dbraw/zinc/01/25/37/804012537.db2.gz LOVZARKEIJOKDI-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CCOCCN1CC[C@@H]1CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001323355611 804012914 /nfs/dbraw/zinc/01/29/14/804012914.db2.gz FEGCGZUXPLHJAB-KGLIPLIRSA-N 2 0 299.415 -0.066 20 0 CBADRP C[N@H+](C[C@@H](O)CN1CC[NH+](CCCCO)CC1)C1CC1 ZINC001324145886 804113728 /nfs/dbraw/zinc/11/37/28/804113728.db2.gz QDQGJSIHIOCKKI-OAHLLOKOSA-N 2 0 285.432 -0.168 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]CCO)CC[N@@H+]1C ZINC001324160555 804115204 /nfs/dbraw/zinc/11/52/04/804115204.db2.gz AMTSMHYQHUMOCD-FRRDWIJNSA-N 2 0 269.389 -0.101 20 0 CBADRP O=C(N1CCC[C@@H]1C[NH2+]CCO)C12CC[NH+](CC1)C2 ZINC001324261438 804128401 /nfs/dbraw/zinc/12/84/01/804128401.db2.gz QNMKYAGQXKAPKV-GFCCVEGCSA-N 2 0 267.373 -0.345 20 0 CBADRP CCOCCCN1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001325189845 804255795 /nfs/dbraw/zinc/25/57/95/804255795.db2.gz MGNZMFYWVTVLEJ-ZDUSSCGKSA-N 2 0 299.415 -0.330 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001325371484 804281234 /nfs/dbraw/zinc/28/12/34/804281234.db2.gz XRKCUPBEBGJZRV-DGCLKSJQSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC001325395115 804284583 /nfs/dbraw/zinc/28/45/83/804284583.db2.gz XKAMKXGODRDDQU-RWMBFGLXSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001325414258 804285368 /nfs/dbraw/zinc/28/53/68/804285368.db2.gz UEYUUMIAMDXOAF-WCQYABFASA-N 2 0 296.415 -0.441 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001325703101 804306562 /nfs/dbraw/zinc/30/65/62/804306562.db2.gz KNSNMPBAEWHSSR-XQQFMLRXSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001325705361 804307055 /nfs/dbraw/zinc/30/70/55/804307055.db2.gz SKSHQKSEPQCCAD-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001325734591 804310212 /nfs/dbraw/zinc/31/02/12/804310212.db2.gz ORWPHLUSGCLDMC-JHJVBQTASA-N 2 0 296.415 -0.156 20 0 CBADRP CN(C)C(=O)CCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001325841461 804323682 /nfs/dbraw/zinc/32/36/82/804323682.db2.gz ZJQQLEZZHAYMPT-CYBMUJFWSA-N 2 0 286.420 -0.947 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC001325855552 804325995 /nfs/dbraw/zinc/32/59/95/804325995.db2.gz REDBTQZRIQWNJU-QWHCGFSZSA-N 2 0 257.378 -0.637 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCOCC(F)F)CC1 ZINC001325877588 804330546 /nfs/dbraw/zinc/33/05/46/804330546.db2.gz FLHPJQBGBGBWRV-LLVKDONJSA-N 2 0 281.347 -0.534 20 0 CBADRP CC[NH+](CC)CC(=O)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001150469855 815032730 /nfs/dbraw/zinc/03/27/30/815032730.db2.gz JPZZEQLPLUJJCQ-ZDUSSCGKSA-N 2 0 287.404 -0.472 20 0 CBADRP CC[N@@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150589843 815036448 /nfs/dbraw/zinc/03/64/48/815036448.db2.gz WXUUUYNEEOKIDX-ZDUSSCGKSA-N 2 0 287.404 -0.208 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2C[NH+](CCO)CCCO2)C1 ZINC001150598355 815036567 /nfs/dbraw/zinc/03/65/67/815036567.db2.gz ZTHDVMBIZMLJOB-ZIAGYGMSSA-N 2 0 299.415 -0.472 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001151048670 815052546 /nfs/dbraw/zinc/05/25/46/815052546.db2.gz CXBYADWRLLLXSQ-LBPRGKRZSA-N 2 0 282.388 -0.830 20 0 CBADRP CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049033 815053418 /nfs/dbraw/zinc/05/34/18/815053418.db2.gz HVGQUMNFQQEQDF-CHWSQXEVSA-N 2 0 298.431 -0.195 20 0 CBADRP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097127 805170784 /nfs/dbraw/zinc/17/07/84/805170784.db2.gz CZKZALQBXNECGO-UPJWGTAASA-N 2 0 292.387 -0.409 20 0 CBADRP Cn1cc(CC[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001151056970 815054112 /nfs/dbraw/zinc/05/41/12/815054112.db2.gz OMSLZNPWLSQBLF-CYBMUJFWSA-N 2 0 279.388 -0.380 20 0 CBADRP CN(C(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001151049688 815054275 /nfs/dbraw/zinc/05/42/75/815054275.db2.gz WBYDZZNODGABAN-NSHDSACASA-N 2 0 282.388 -0.735 20 0 CBADRP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158362 805174066 /nfs/dbraw/zinc/17/40/66/805174066.db2.gz HDOFIDWBNWIVBC-AGIUHOORSA-N 2 0 292.387 -0.266 20 0 CBADRP CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070326876 805179172 /nfs/dbraw/zinc/17/91/72/805179172.db2.gz GZLHPCFPITUTLH-XQQFMLRXSA-N 2 0 292.387 -0.409 20 0 CBADRP Cc1noc(CCC[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001151049583 815055020 /nfs/dbraw/zinc/05/50/20/815055020.db2.gz SQRKUFWQXSKXEP-GFCCVEGCSA-N 2 0 295.387 -0.032 20 0 CBADRP C[C@H](O)CCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151065136 815055446 /nfs/dbraw/zinc/05/54/46/815055446.db2.gz GZPHMXMTESZCLN-NWDGAFQWSA-N 2 0 257.378 -0.195 20 0 CBADRP CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049391 815055570 /nfs/dbraw/zinc/05/55/70/815055570.db2.gz NAHKKPCDXMBXOC-GFCCVEGCSA-N 2 0 284.404 -0.440 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151073055 815056521 /nfs/dbraw/zinc/05/65/21/815056521.db2.gz FLOXZFMYCDHRLO-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCOC[C@@H]2CCCO2)C1 ZINC001151066735 815056711 /nfs/dbraw/zinc/05/67/11/815056711.db2.gz YIASEECULRFDDV-KBPBESRZSA-N 2 0 299.415 -0.161 20 0 CBADRP CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151074061 815058371 /nfs/dbraw/zinc/05/83/71/815058371.db2.gz UPBDTOKNANHQHB-CHWSQXEVSA-N 2 0 298.431 -0.195 20 0 CBADRP CCn1nnc(C)c1C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151098175 815060227 /nfs/dbraw/zinc/06/02/27/815060227.db2.gz WZZAYEKPNCEMBR-UHFFFAOYSA-N 2 0 294.403 -0.092 20 0 CBADRP Cn1nccc1CC[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151097180 815061123 /nfs/dbraw/zinc/06/11/23/815061123.db2.gz KOQWZZVTGNRCSF-UHFFFAOYSA-N 2 0 279.388 -0.236 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]CCNC(=O)C1CC1 ZINC001151101129 815061345 /nfs/dbraw/zinc/06/13/45/815061345.db2.gz NFSPOHHULDVCCM-UHFFFAOYSA-N 2 0 282.388 -0.686 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]CCCO[C@H]1CCOC1 ZINC001151100450 815061838 /nfs/dbraw/zinc/06/18/38/815061838.db2.gz DSYFWIZHUZJVFK-AWEZNQCLSA-N 2 0 299.415 -0.016 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001151100780 815061867 /nfs/dbraw/zinc/06/18/67/815061867.db2.gz HPGRROCISADQSJ-JTQLQIEISA-N 2 0 256.350 -0.948 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]CC(=O)N1CCC1 ZINC001151115606 815062065 /nfs/dbraw/zinc/06/20/65/815062065.db2.gz YLYXOSCGGCRTPF-UHFFFAOYSA-N 2 0 268.361 -0.980 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]CCn1cncn1 ZINC001151101790 815062455 /nfs/dbraw/zinc/06/24/55/815062455.db2.gz WPJHDCYQWRYXIN-UHFFFAOYSA-N 2 0 266.349 -0.920 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]C[C@@H]1CCOC1 ZINC001151101065 815062525 /nfs/dbraw/zinc/06/25/25/815062525.db2.gz KOCLSPMJMNERTD-LBPRGKRZSA-N 2 0 255.362 -0.176 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072544339 805312705 /nfs/dbraw/zinc/31/27/05/805312705.db2.gz JPBIDVSSUHEPHR-NEPJUHHUSA-N 2 0 294.399 -0.511 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]C[C@H]1CCOC1 ZINC001151158642 815066033 /nfs/dbraw/zinc/06/60/33/815066033.db2.gz QLWUJOCJMNZWGZ-ZIAGYGMSSA-N 2 0 299.415 -0.303 20 0 CBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NC(=O)CC[NH+](C)C ZINC001072677027 805327840 /nfs/dbraw/zinc/32/78/40/805327840.db2.gz KFCJDTXSWOOBDY-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H](O)C[N@@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001073129742 805360960 /nfs/dbraw/zinc/36/09/60/805360960.db2.gz CXSWOLVQJUVZKP-ZDUSSCGKSA-N 2 0 293.411 -0.003 20 0 CBADRP O=C(N1CC2(C1)CC[N@@H+](CCCO)C2)C12CC[NH+](CC1)C2 ZINC001073129323 805361068 /nfs/dbraw/zinc/36/10/68/805361068.db2.gz SGJKSZQCJQKCJA-UHFFFAOYSA-N 2 0 293.411 -0.001 20 0 CBADRP O=C(N1CC2(C1)CC[N@@H+](CCO)C2)C12CC[NH+](CC1)C2 ZINC001073129043 805362151 /nfs/dbraw/zinc/36/21/51/805362151.db2.gz DXXCMMVMAYXPAN-UHFFFAOYSA-N 2 0 279.384 -0.391 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001073129741 805362889 /nfs/dbraw/zinc/36/28/89/805362889.db2.gz CXSWOLVQJUVZKP-CYBMUJFWSA-N 2 0 293.411 -0.003 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC3(C2)CC[NH+](CCO)C3)C1 ZINC001073127840 805362964 /nfs/dbraw/zinc/36/29/64/805362964.db2.gz IPSUEMANVVGYOS-CYBMUJFWSA-N 2 0 281.400 -0.145 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](CCO)C3)C1 ZINC001073425648 805368561 /nfs/dbraw/zinc/36/85/61/805368561.db2.gz CUKQVRIQOYODJD-GFCCVEGCSA-N 2 0 267.373 -0.535 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001073431062 805370002 /nfs/dbraw/zinc/37/00/02/805370002.db2.gz QIIKHGFZVYUCCE-GFCCVEGCSA-N 2 0 294.399 -0.510 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073426153 805370632 /nfs/dbraw/zinc/37/06/32/805370632.db2.gz RYPIFXNTSVSDRA-OLZOCXBDSA-N 2 0 281.400 -0.147 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCO)CCCO1 ZINC001073554179 805386920 /nfs/dbraw/zinc/38/69/20/805386920.db2.gz DNQRSMHQTWZIAZ-KGLIPLIRSA-N 2 0 299.415 -0.330 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCO)CCCO1 ZINC001073554843 805389464 /nfs/dbraw/zinc/38/94/64/805389464.db2.gz OXVJNXBBFJYNQB-QWHCGFSZSA-N 2 0 285.388 -0.720 20 0 CBADRP COCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073554393 805389762 /nfs/dbraw/zinc/38/97/62/805389762.db2.gz GZYQJKFWNVQMSQ-ZIAGYGMSSA-N 2 0 299.415 -0.066 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCO)CCCO1 ZINC001073661661 805404387 /nfs/dbraw/zinc/40/43/87/805404387.db2.gz BLSNOCINWVQCAG-UONOGXRCSA-N 2 0 299.415 -0.330 20 0 CBADRP COCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073890997 805422015 /nfs/dbraw/zinc/42/20/15/805422015.db2.gz KONUZPITDFCUSK-UONOGXRCSA-N 2 0 299.415 -0.208 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C)C(N)=O ZINC001074687093 805465812 /nfs/dbraw/zinc/46/58/12/805465812.db2.gz VYSIFSPHSOAMMN-GVXVVHGQSA-N 2 0 296.415 -0.077 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001074695289 805465873 /nfs/dbraw/zinc/46/58/73/805465873.db2.gz RXOXBXSLZJFMTJ-XQQFMLRXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C)C(N)=O ZINC001075108837 805482935 /nfs/dbraw/zinc/48/29/35/805482935.db2.gz QLFQHTRSHIMTFC-WOPDTQHZSA-N 2 0 282.388 -0.465 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCCO)C[C@H]21 ZINC001075619662 805518503 /nfs/dbraw/zinc/51/85/03/805518503.db2.gz KYNZMECJKKAYHU-MELADBBJSA-N 2 0 281.400 -0.004 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccc2nccn2n1 ZINC001151725118 815087528 /nfs/dbraw/zinc/08/75/28/815087528.db2.gz BEYPYHIGZDRDBM-UHFFFAOYSA-N 2 0 275.316 -0.196 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152138134 815106652 /nfs/dbraw/zinc/10/66/52/815106652.db2.gz SGJUTCVHSLKHDP-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]Cc1cnnn1C ZINC001152138169 815106811 /nfs/dbraw/zinc/10/68/11/815106811.db2.gz TYLXCNHNDDIMIP-RYUDHWBXSA-N 2 0 294.403 -0.106 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152146393 815107515 /nfs/dbraw/zinc/10/75/15/815107515.db2.gz JICOLVZJSCPFDH-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001152149553 815107972 /nfs/dbraw/zinc/10/79/72/815107972.db2.gz YOABEYZGMDOMOZ-RYUDHWBXSA-N 2 0 296.415 -0.156 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152222650 815110410 /nfs/dbraw/zinc/11/04/10/815110410.db2.gz AKDHNICAUYKVHF-UHFFFAOYSA-N 2 0 256.350 -0.947 20 0 CBADRP O=C(CCC[NH+]1CCCC1)NCC[NH2+]CCCO ZINC001152237807 815112328 /nfs/dbraw/zinc/11/23/28/815112328.db2.gz WRABEDORICXOQZ-UHFFFAOYSA-N 2 0 257.378 -0.049 20 0 CBADRP C[NH+](C)Cc1cccc(C(=O)NCC[NH2+]CC(N)=O)c1 ZINC001152237767 815112590 /nfs/dbraw/zinc/11/25/90/815112590.db2.gz UFCQZDDGABFTFN-UHFFFAOYSA-N 2 0 278.356 -0.447 20 0 CBADRP O=C(CC[NH+]1CCCCC1)NCC[NH2+][C@H]1CCNC1=O ZINC001152339834 815116189 /nfs/dbraw/zinc/11/61/89/815116189.db2.gz CHOWPHVLPPMTDR-LBPRGKRZSA-N 2 0 282.388 -0.543 20 0 CBADRP O=C(CC[NH+]1CCCCC1)NCC[NH2+]CC(=O)N1CCC1 ZINC001152340032 815116666 /nfs/dbraw/zinc/11/66/66/815116666.db2.gz FCNBFRNFBJWPPK-UHFFFAOYSA-N 2 0 296.415 -0.200 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340503 815116703 /nfs/dbraw/zinc/11/67/03/815116703.db2.gz PQWLKMKMPUQSML-GFCCVEGCSA-N 2 0 257.378 -0.051 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001152349192 815117102 /nfs/dbraw/zinc/11/71/02/815117102.db2.gz WHZGUSJGCZLOCX-GFCCVEGCSA-N 2 0 284.404 -0.168 20 0 CBADRP CC[N@H+](CCO)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152392322 815119148 /nfs/dbraw/zinc/11/91/48/815119148.db2.gz MIQZNAVUBDUXPT-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001152440072 815121265 /nfs/dbraw/zinc/12/12/65/815121265.db2.gz WZOIEGUWUXXLRI-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001152432107 815121387 /nfs/dbraw/zinc/12/13/87/815121387.db2.gz FUOMBRVIQCDICZ-NSHDSACASA-N 2 0 270.377 -0.737 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001152427194 815121400 /nfs/dbraw/zinc/12/14/00/815121400.db2.gz UMLJPRNNBTUTNF-UHFFFAOYSA-N 2 0 285.392 -0.942 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152445873 815122263 /nfs/dbraw/zinc/12/22/63/815122263.db2.gz QAPXITCDBREOEE-GFCCVEGCSA-N 2 0 286.420 -0.053 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001152451991 815123170 /nfs/dbraw/zinc/12/31/70/815123170.db2.gz PCTVVAVTSYAHQN-ZDUSSCGKSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cnnn1C ZINC001152452224 815123348 /nfs/dbraw/zinc/12/33/48/815123348.db2.gz XBWNNZNHEFERPT-ZDUSSCGKSA-N 2 0 294.403 -0.105 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)[NH+]1CCCC1 ZINC001152470704 815124142 /nfs/dbraw/zinc/12/41/42/815124142.db2.gz FOOCPSNRPPSBDD-NWDGAFQWSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001152458170 815124212 /nfs/dbraw/zinc/12/42/12/815124212.db2.gz MBQZGDMAJKKKTE-ZDUSSCGKSA-N 2 0 294.403 -0.142 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+][C@H]1CCNC1=O)[NH+]1CCCC1 ZINC001152471557 815124306 /nfs/dbraw/zinc/12/43/06/815124306.db2.gz MCNKPEDXJRRQEW-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001152458760 815124313 /nfs/dbraw/zinc/12/43/13/815124313.db2.gz SNXKCTGYWKPUFM-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP O=C(CCCC[NH+]1CCCC1)NCC[NH2+][C@H]1CCNC1=O ZINC001153314277 815157045 /nfs/dbraw/zinc/15/70/45/815157045.db2.gz HHYHZLUYQXSOLV-ZDUSSCGKSA-N 2 0 296.415 -0.153 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cc2n(n1)CCO2 ZINC001153889851 815186663 /nfs/dbraw/zinc/18/66/63/815186663.db2.gz WEVHKOGUSSJOSA-UHFFFAOYSA-N 2 0 294.359 -0.047 20 0 CBADRP [NH3+][C@H]1COC[C@H]1Nc1nccc(N2CCC([NH3+])CC2)n1 ZINC001155353408 815278710 /nfs/dbraw/zinc/27/87/10/815278710.db2.gz OUXGLHTZVDJSIK-WDEREUQCSA-N 2 0 278.360 -0.458 20 0 CBADRP COC(=O)[C@@H](Nc1cc(C2C[NH2+]C2)ncn1)C(C)(C)[NH3+] ZINC001155378238 815280256 /nfs/dbraw/zinc/28/02/56/815280256.db2.gz QWRRVJZLURKNIH-LLVKDONJSA-N 2 0 279.344 -0.146 20 0 CBADRP c1nc(NCc2nnc3n2CCC[NH2+]C3)nc2c1C[NH2+]C2 ZINC001155430938 815284445 /nfs/dbraw/zinc/28/44/45/815284445.db2.gz UFFRTPQUCOFFFM-UHFFFAOYSA-N 2 0 286.343 -0.223 20 0 CBADRP c1nc2c(c(NC[C@]34C[NH2+]C[C@H]3COC4)n1)CC[NH2+]CC2 ZINC001155510450 815288879 /nfs/dbraw/zinc/28/88/79/815288879.db2.gz ULFXYZYANKCJTH-NHYWBVRUSA-N 2 0 289.383 -0.187 20 0 CBADRP c1nc(NC[C@]23C[NH2+]C[C@H]2COC3)nc2c1C[NH2+]CC2 ZINC001155509414 815289320 /nfs/dbraw/zinc/28/93/20/815289320.db2.gz CVSIHEYHFOUZPZ-FZMZJTMJSA-N 2 0 275.356 -0.230 20 0 CBADRP [NH3+][C@H](C(=O)N1CCN(CCF)CC1)C1CC[NH2+]CC1 ZINC001160628811 815645557 /nfs/dbraw/zinc/64/55/57/815645557.db2.gz FPQVDHAWWFAHRG-LBPRGKRZSA-N 2 0 272.368 -0.573 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ncc3c(n2)CC[NH2+]C3)N1 ZINC001155570632 815294319 /nfs/dbraw/zinc/29/43/19/815294319.db2.gz NWIGYJXOODKBSE-GXFFZTMASA-N 2 0 274.328 -0.888 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cc3c(nn2)CC[NH2+]C3)N1 ZINC001155574247 815296387 /nfs/dbraw/zinc/29/63/87/815296387.db2.gz FVTYRWHIKSKYEQ-MFKMUULPSA-N 2 0 274.328 -0.888 20 0 CBADRP c1c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)nnc2c1C[NH2+]CC2 ZINC001155638121 815302816 /nfs/dbraw/zinc/30/28/16/815302816.db2.gz CCMBQMHGEKQZGQ-MDZLAQPJSA-N 2 0 261.329 -0.337 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C)c1nnnn1C ZINC001155810945 815314496 /nfs/dbraw/zinc/31/44/96/815314496.db2.gz DFIOVBYUSNQZPT-GHMZBOCLSA-N 2 0 295.391 -0.539 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NC1CC1 ZINC001155822606 815314840 /nfs/dbraw/zinc/31/48/40/815314840.db2.gz VSFYOQZCAQTTKW-YPMHNXCESA-N 2 0 296.415 -0.156 20 0 CBADRP [NH3+]Cc1cc(N(c2ncccn2)C2C[NH2+]C2)ncn1 ZINC001155870468 815318715 /nfs/dbraw/zinc/31/87/15/815318715.db2.gz XHUVJHQQRCZFID-UHFFFAOYSA-N 2 0 257.301 -0.165 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086122557 810242875 /nfs/dbraw/zinc/24/28/75/810242875.db2.gz PQTGOENBHYRSRP-GRYCIOLGSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001086198750 810248366 /nfs/dbraw/zinc/24/83/66/810248366.db2.gz DUZDDLLIMKLGNY-NDBYEHHHSA-N 2 0 269.389 -0.339 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001086198752 810248479 /nfs/dbraw/zinc/24/84/79/810248479.db2.gz DUZDDLLIMKLGNY-WUHRBBMRSA-N 2 0 269.389 -0.339 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001086270415 810252974 /nfs/dbraw/zinc/25/29/74/810252974.db2.gz DKELJUMRICMOOM-NDBYEHHHSA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001086270931 810253455 /nfs/dbraw/zinc/25/34/55/810253455.db2.gz ZLMNRZXPYOJWNS-WYUUTHIRSA-N 2 0 282.388 -0.704 20 0 CBADRP CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001086333174 810261758 /nfs/dbraw/zinc/26/17/58/810261758.db2.gz HQAHZUBAPUWXJG-IJLUTSLNSA-N 2 0 255.362 -0.179 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001086368158 810265748 /nfs/dbraw/zinc/26/57/48/810265748.db2.gz UEWSKOADSOJDOJ-DRZSPHRISA-N 2 0 294.399 -0.702 20 0 CBADRP O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)C12CC[NH+](CC1)C2 ZINC001086534638 810277876 /nfs/dbraw/zinc/27/78/76/810277876.db2.gz RRBNVMDNMCVUHX-HAQNSBGRSA-N 2 0 267.373 -0.441 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001086552238 810279096 /nfs/dbraw/zinc/27/90/96/810279096.db2.gz ZLMNRZXPYOJWNS-DDHJBXDOSA-N 2 0 282.388 -0.704 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001086734702 810284841 /nfs/dbraw/zinc/28/48/41/810284841.db2.gz PMCDPJKYNBNKSC-XQQFMLRXSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[N@H+](CCO)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409346 815357602 /nfs/dbraw/zinc/35/76/02/815357602.db2.gz LMZWQKAOQPJKDV-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP O=C(NC[C@H]1CC[C@@H]([NH2+]CCO)C1)C12CC[NH+](CC1)C2 ZINC001086854619 810286916 /nfs/dbraw/zinc/28/69/16/810286916.db2.gz HPADWOCHWKIQOA-QWHCGFSZSA-N 2 0 281.400 -0.051 20 0 CBADRP CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001087261905 810290614 /nfs/dbraw/zinc/29/06/14/810290614.db2.gz GDLGGFRXELLFKX-SNVBAGLBSA-N 2 0 293.371 -0.140 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CCO)CC[C@@H]3C2)C1 ZINC001088200121 810323712 /nfs/dbraw/zinc/32/37/12/810323712.db2.gz QJVJFFQUKKRMLV-MCIONIFRSA-N 2 0 281.400 -0.289 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@@H]2O)CC1 ZINC001090539503 810520938 /nfs/dbraw/zinc/52/09/38/810520938.db2.gz YKLARNPZTKUAKN-KGLIPLIRSA-N 2 0 299.415 -0.738 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090814496 810569882 /nfs/dbraw/zinc/56/98/82/810569882.db2.gz JSNSRUTXHZJLMN-QWHCGFSZSA-N 2 0 285.388 -0.984 20 0 CBADRP NC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001091031262 810586689 /nfs/dbraw/zinc/58/66/89/810586689.db2.gz UEWSKOADSOJDOJ-GDKBPFBDSA-N 2 0 294.399 -0.702 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001091365225 810604640 /nfs/dbraw/zinc/60/46/40/810604640.db2.gz UDKAAJGLMQKUMG-CXQJBGSLSA-N 2 0 255.362 -0.585 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(N)=O)C[C@@]2(C)C1 ZINC001091543441 810611361 /nfs/dbraw/zinc/61/13/61/810611361.db2.gz IZHNZUAWUIFQOI-XUJVJEKNSA-N 2 0 294.399 -0.654 20 0 CBADRP Cc1cnc(-n2c(C)ncc(C[NH3+])c2=N)nc1C1C[NH2+]C1 ZINC001156830962 815383596 /nfs/dbraw/zinc/38/35/96/815383596.db2.gz IRIGLZLYGXCJOF-UHFFFAOYSA-N 2 0 285.355 -0.096 20 0 CBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092934494 810641939 /nfs/dbraw/zinc/64/19/39/810641939.db2.gz CASHMZXVTOUTMK-DGCLKSJQSA-N 2 0 296.415 -0.502 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093195411 810647401 /nfs/dbraw/zinc/64/74/01/810647401.db2.gz QMHCRUIPQVJUPF-JHJVBQTASA-N 2 0 269.389 -0.386 20 0 CBADRP CC[N@H+](CCO)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156890591 815389048 /nfs/dbraw/zinc/38/90/48/815389048.db2.gz PSLMMPOBNCTXPC-NEPJUHHUSA-N 2 0 257.378 -0.243 20 0 CBADRP [NH3+]CCc1nnn(-c2nc(Cl)nc3c2C[NH2+]CC3)n1 ZINC001156985652 815395741 /nfs/dbraw/zinc/39/57/41/815395741.db2.gz INUBKGWNLRJMFC-UHFFFAOYSA-N 2 0 280.723 -0.747 20 0 CBADRP [NH3+]CCc1nnn(-c2nc(Cl)nc3c2CC[NH2+]C3)n1 ZINC001156985630 815396170 /nfs/dbraw/zinc/39/61/70/815396170.db2.gz HFPLVHWYOXFHCM-UHFFFAOYSA-N 2 0 280.723 -0.747 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])Nc1cc(N2CCOCC2)ncn1 ZINC001157094191 815404170 /nfs/dbraw/zinc/40/41/70/815404170.db2.gz NBQLIEOAMKSXHV-UHFFFAOYSA-N 2 0 293.375 -0.012 20 0 CBADRP CCNC(=O)c1ccc(NC(=[NH2+])NCCCC[NH3+])nn1 ZINC001157100067 815405124 /nfs/dbraw/zinc/40/51/24/815405124.db2.gz YTUDBALRMUSXPI-UHFFFAOYSA-N 2 0 279.348 -0.099 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@@H]2O)CCC1 ZINC001099873884 810959426 /nfs/dbraw/zinc/95/94/26/810959426.db2.gz BNYAGBKCGITCTL-NEPJUHHUSA-N 2 0 285.388 -0.986 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099879470 810960067 /nfs/dbraw/zinc/96/00/67/810960067.db2.gz KMBQAGJRGYIRLB-UONOGXRCSA-N 2 0 299.415 -0.332 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099879471 810960588 /nfs/dbraw/zinc/96/05/88/810960588.db2.gz KMBQAGJRGYIRLB-ZIAGYGMSSA-N 2 0 299.415 -0.332 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971859 810979300 /nfs/dbraw/zinc/97/93/00/810979300.db2.gz NLHSUZXFDCNPNT-CHWSQXEVSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@@H]2O)CC1 ZINC001099971414 810980632 /nfs/dbraw/zinc/98/06/32/810980632.db2.gz HJXKKYGRLFSAHD-STQMWFEESA-N 2 0 299.415 -0.738 20 0 CBADRP CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973344 810981402 /nfs/dbraw/zinc/98/14/02/810981402.db2.gz BIYJNKXTLONVPX-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099974666 810982244 /nfs/dbraw/zinc/98/22/44/810982244.db2.gz SWPZEHSYOKTJCH-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973342 810982476 /nfs/dbraw/zinc/98/24/76/810982476.db2.gz BIYJNKXTLONVPX-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP CCOCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099988246 810986497 /nfs/dbraw/zinc/98/64/97/810986497.db2.gz FTHDRPVOIAXHII-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099988090 810986788 /nfs/dbraw/zinc/98/67/88/810986788.db2.gz CATISHKSJKPTTB-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC)C[C@H]1O ZINC001100082435 811018937 /nfs/dbraw/zinc/01/89/37/811018937.db2.gz BQPXPGREPCRVAY-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100124259 811023783 /nfs/dbraw/zinc/02/37/83/811023783.db2.gz FSAHYFSFICUMCH-KGLIPLIRSA-N 2 0 299.415 -0.594 20 0 CBADRP O=C(CC[NH+]1CCCCC1)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100127782 811026274 /nfs/dbraw/zinc/02/62/74/811026274.db2.gz YUOWAWGBWGEECZ-KBPBESRZSA-N 2 0 299.415 -0.594 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCO)C[C@@H]1O ZINC001100131256 811026454 /nfs/dbraw/zinc/02/64/54/811026454.db2.gz AIFFOUGBJLFVPU-OLZOCXBDSA-N 2 0 287.404 -0.740 20 0 CBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001100423704 811056446 /nfs/dbraw/zinc/05/64/46/811056446.db2.gz VEISWJQXXIEXOE-YIZWMMSDSA-N 2 0 298.431 -0.197 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NCC1CC([NH2+]CC(N)=O)C1)C1CC1 ZINC001100407953 811057179 /nfs/dbraw/zinc/05/71/79/811057179.db2.gz PEKMMZFUZWLTQH-QEIKUCIBSA-N 2 0 282.388 -0.704 20 0 CBADRP C[NH+](C)CCCC(=O)NCC1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001100619782 811066371 /nfs/dbraw/zinc/06/63/71/811066371.db2.gz IAADFRWXPPZRRA-WXRRBKDZSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)NC(=O)C[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637461 811069387 /nfs/dbraw/zinc/06/93/87/811069387.db2.gz SEFAMNZDXFDILE-UHFFFAOYSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001100635981 811069959 /nfs/dbraw/zinc/06/99/59/811069959.db2.gz QLKAHBKOODVYAI-UHFFFAOYSA-N 2 0 296.415 -0.441 20 0 CBADRP CC[C@H]([NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001100638465 811071010 /nfs/dbraw/zinc/07/10/10/811071010.db2.gz MECQKALQFGPPAL-MCIGGMRASA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC2CC([NH2+]CC(N)=O)C2)C1 ZINC001100678769 811071078 /nfs/dbraw/zinc/07/10/78/811071078.db2.gz WBIZXHLRGAQSLO-VOMCLLRMSA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100676860 811071185 /nfs/dbraw/zinc/07/11/85/811071185.db2.gz UNYRYNOAFCUSJS-UNXYVOJBSA-N 2 0 282.388 -0.560 20 0 CBADRP CN1CC[C@H]([NH2+]C2CC(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001100638310 811071345 /nfs/dbraw/zinc/07/13/45/811071345.db2.gz GIZSMCYKOCSOBQ-BPCQOVAHSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]([NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001100637507 811071431 /nfs/dbraw/zinc/07/14/31/811071431.db2.gz VGKANSIWPGWDOC-KPPDAEKUSA-N 2 0 270.377 -0.704 20 0 CBADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]CC(=O)NC)C1 ZINC001100769474 811077730 /nfs/dbraw/zinc/07/77/30/811077730.db2.gz LQAXHIJLJXMSLL-UHFFFAOYSA-N 2 0 284.404 -0.441 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001100872719 811082430 /nfs/dbraw/zinc/08/24/30/811082430.db2.gz GSDGIFFSQSSFQB-HIFPTAJRSA-N 2 0 269.389 -0.195 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001100872720 811083152 /nfs/dbraw/zinc/08/31/52/811083152.db2.gz GSDGIFFSQSSFQB-PNESKVBLSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@@H]([NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001100984976 811088604 /nfs/dbraw/zinc/08/86/04/811088604.db2.gz WQQIYFLGPXZQKI-VOMCLLRMSA-N 2 0 282.388 -0.560 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]CCOCCO)C2)C1 ZINC001100980829 811089334 /nfs/dbraw/zinc/08/93/34/811089334.db2.gz HVUGUXAWTWLAMD-ROKHWSDSSA-N 2 0 299.415 -0.569 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC1CC([NH2+]CCOCCO)C1 ZINC001100983332 811089716 /nfs/dbraw/zinc/08/97/16/811089716.db2.gz FJVUGDCHKSNQAY-UHFFFAOYSA-N 2 0 299.415 -0.425 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1NCCS1 ZINC001157324121 815424468 /nfs/dbraw/zinc/42/44/68/815424468.db2.gz RTQXSNBQNVDPNI-GZMMTYOYSA-N 2 0 274.390 -0.991 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001157335914 815424474 /nfs/dbraw/zinc/42/44/74/815424474.db2.gz LKZFHIZIXGLXNL-TUAOUCFPSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[NH2+]C(C)C ZINC001157322978 815423510 /nfs/dbraw/zinc/42/35/10/815423510.db2.gz HDKJKGFLYPIDBX-JTQLQIEISA-N 2 0 258.366 -0.656 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC001157323486 815423547 /nfs/dbraw/zinc/42/35/47/815423547.db2.gz RYINQCIBRMDOGO-YTWAJWBKSA-N 2 0 268.361 -0.903 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]12CC[C@H]1C[NH2+]C2 ZINC001157322991 815423559 /nfs/dbraw/zinc/42/35/59/815423559.db2.gz HOSLHNMOESFFSD-COPLHBTASA-N 2 0 282.388 -0.654 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CC1CCC1 ZINC001157335808 815424064 /nfs/dbraw/zinc/42/40/64/815424064.db2.gz KFBVFJGDZITIGM-RYUDHWBXSA-N 2 0 284.404 -0.136 20 0 CBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102288485 811148117 /nfs/dbraw/zinc/14/81/17/811148117.db2.gz GMFUCTGCUMZOMW-VXGBXAGGSA-N 2 0 296.415 -0.502 20 0 CBADRP C[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292517 811149084 /nfs/dbraw/zinc/14/90/84/811149084.db2.gz RAIXEGDTASHROG-FRRDWIJNSA-N 2 0 298.431 -0.114 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320484 811152204 /nfs/dbraw/zinc/15/22/04/811152204.db2.gz DXPDUMBOJFUZSF-UPJWGTAASA-N 2 0 298.431 -0.114 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C(C)(C)[NH2+]C ZINC001157336387 815425237 /nfs/dbraw/zinc/42/52/37/815425237.db2.gz OLMVWSALXYJQEO-VIFPVBQESA-N 2 0 258.366 -0.656 20 0 CBADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001102473777 811155978 /nfs/dbraw/zinc/15/59/78/811155978.db2.gz PKPMWQDKPCRIBH-VXGBXAGGSA-N 2 0 284.404 -0.502 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001102496360 811158469 /nfs/dbraw/zinc/15/84/69/811158469.db2.gz RJDXGFHIHGOGJX-FRRDWIJNSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102513940 811159108 /nfs/dbraw/zinc/15/91/08/811159108.db2.gz HDJBHAAGSGLBOB-FRRDWIJNSA-N 2 0 296.415 -0.502 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CC(N)=O ZINC001104000062 811192015 /nfs/dbraw/zinc/19/20/15/811192015.db2.gz UWELACVRCBGTHV-UPJWGTAASA-N 2 0 296.415 -0.360 20 0 CBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104809611 811211221 /nfs/dbraw/zinc/21/12/21/811211221.db2.gz LUOUPQKLTZFYAN-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)[C@@H]1CCCO1 ZINC001157423228 815432550 /nfs/dbraw/zinc/43/25/50/815432550.db2.gz LQDVBOGCWXIVAU-KZVDOYCCSA-N 2 0 267.373 -0.131 20 0 CBADRP CN1CCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CC1 ZINC001157451071 815435323 /nfs/dbraw/zinc/43/53/23/815435323.db2.gz KFJKFSYRWYBICU-LBPRGKRZSA-N 2 0 256.394 -0.180 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CCCO ZINC001319285346 817185610 /nfs/dbraw/zinc/18/56/10/817185610.db2.gz ZELCHOBVVNTJFM-VXGBXAGGSA-N 2 0 257.378 -0.338 20 0 CBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106779740 811316539 /nfs/dbraw/zinc/31/65/39/811316539.db2.gz UZKWIHWHSKISLM-VXGBXAGGSA-N 2 0 284.404 -0.502 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106905379 811317424 /nfs/dbraw/zinc/31/74/24/811317424.db2.gz MMDAWWSWNDDKKP-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)C(N)=O ZINC001106983722 811322026 /nfs/dbraw/zinc/32/20/26/811322026.db2.gz GLHYAKCBXDBWQZ-JHJVBQTASA-N 2 0 296.415 -0.360 20 0 CBADRP CCCN(CCOC)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001157486586 815439093 /nfs/dbraw/zinc/43/90/93/815439093.db2.gz ZAQCBXRIRIFHRW-JTQLQIEISA-N 2 0 263.407 -0.109 20 0 CBADRP CNC(=O)C1CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001157496513 815439727 /nfs/dbraw/zinc/43/97/27/815439727.db2.gz VXRZKMJVHDOCTQ-NSHDSACASA-N 2 0 270.377 -0.573 20 0 CBADRP O=C(N1CC(N2CC(F)C2)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157528505 815442369 /nfs/dbraw/zinc/44/23/69/815442369.db2.gz UYSSHGPLAODAMJ-QMTHXVAHSA-N 2 0 282.363 -0.950 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@@]23CCCO[C@@H]2CC[NH2+]C3)C[C@H]1F ZINC001157537139 815443599 /nfs/dbraw/zinc/44/35/99/815443599.db2.gz YUXLMOHOPNGPEL-LSCVPOLPSA-N 2 0 271.336 -0.347 20 0 CBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)cc1 ZINC001157538807 815443987 /nfs/dbraw/zinc/44/39/87/815443987.db2.gz RZKIHTMLPXREJP-WOPDTQHZSA-N 2 0 294.330 -0.837 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])c1ncc2c(n1)CC[NH2+]C2 ZINC001157545178 815444004 /nfs/dbraw/zinc/44/40/04/815444004.db2.gz ZODIGMZXXYQTCU-UHFFFAOYSA-N 2 0 293.371 -0.159 20 0 CBADRP [NH3+][C@H]1CN(C(=O)c2cnc(N3CC[NH2+]CC3)cn2)C[C@H]1F ZINC001157548006 815445108 /nfs/dbraw/zinc/44/51/08/815445108.db2.gz FRXJIAUYHXDTOL-ZJUUUORDSA-N 2 0 294.334 -0.993 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCc2cnccc2C1 ZINC001157566699 815446364 /nfs/dbraw/zinc/44/63/64/815446364.db2.gz DNMNDWSTSGGNFK-CYBMUJFWSA-N 2 0 272.352 -0.225 20 0 CBADRP C[NH+]1CCN(c2nccc(-n3ccnc3C(N)=[NH2+])n2)CC1 ZINC001157629761 815449218 /nfs/dbraw/zinc/44/92/18/815449218.db2.gz ZVVPCMXEYXQOSW-UHFFFAOYSA-N 2 0 286.343 -0.302 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@H]2COC3(C2)CC[NH2+]CC3)C1 ZINC001157634136 815449283 /nfs/dbraw/zinc/44/92/83/815449283.db2.gz VAYUFTLTKIZBKR-SNVBAGLBSA-N 2 0 253.346 -0.295 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCOCC(F)(F)C1 ZINC001157708535 815455430 /nfs/dbraw/zinc/45/54/30/815455430.db2.gz VCFLHWUVQNUOTG-SECBINFHSA-N 2 0 275.299 -0.711 20 0 CBADRP COC(=O)[C@H]1C[C@@H](C(=O)N2CC(C)([NH3+])C2)CCN1 ZINC001157644691 815450479 /nfs/dbraw/zinc/45/04/79/815450479.db2.gz VSZXOARXVOQLSF-DTWKUNHWSA-N 2 0 255.318 -0.913 20 0 CBADRP CC(C)(C)[N@@H+]1CCN[C@H](C(=O)N2CC(C)([NH3+])C2)C1 ZINC001157643601 815450722 /nfs/dbraw/zinc/45/07/22/815450722.db2.gz CYFFBSBWBOSUNZ-JTQLQIEISA-N 2 0 254.378 -0.382 20 0 CBADRP CCNC(=O)CN(C)C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001157679723 815452538 /nfs/dbraw/zinc/45/25/38/815452538.db2.gz WYRRLQQXWAYQLU-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP C[NH+](C)C1CN(C(=O)[C@@H]([NH3+])C2CCC(O)CC2)C1 ZINC001157688277 815452681 /nfs/dbraw/zinc/45/26/81/815452681.db2.gz COCVAEVHGFRNGQ-NHNAUAITSA-N 2 0 255.362 -0.363 20 0 CBADRP CN(Cc1ncccn1)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001157681063 815452866 /nfs/dbraw/zinc/45/28/66/815452866.db2.gz CONKMHHBOQSFGO-VIFPVBQESA-N 2 0 269.374 -0.546 20 0 CBADRP C[NH+](C)C1CN(C(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)C1 ZINC001157688235 815453195 /nfs/dbraw/zinc/45/31/95/815453195.db2.gz ALYTXWNDXXCEOM-OLZOCXBDSA-N 2 0 280.416 -0.167 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(C)C[C@@H]1C[NH2+]CCO1 ZINC001157715214 815455598 /nfs/dbraw/zinc/45/55/98/815455598.db2.gz CKOKKJCPYZUIKB-RYUDHWBXSA-N 3 0 272.393 -0.850 20 0 CBADRP O=C(N1Cc2cncnc2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157707930 815454615 /nfs/dbraw/zinc/45/46/15/815454615.db2.gz ARRQKUHPSMCBSW-BXUZGUMPSA-N 2 0 273.340 -0.482 20 0 CBADRP C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCCO1 ZINC001157702866 815454747 /nfs/dbraw/zinc/45/47/47/815454747.db2.gz FDHLKYUYHJSCMI-QWRGUYRKSA-N 2 0 253.346 -0.567 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001110980128 811536407 /nfs/dbraw/zinc/53/64/07/811536407.db2.gz RDXPELGULDHYBZ-MCIONIFRSA-N 2 0 299.415 -0.332 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCOCC(F)(F)C1 ZINC001157708520 815455351 /nfs/dbraw/zinc/45/53/51/815455351.db2.gz UGMOIFFDLCWLRP-QMMMGPOBSA-N 2 0 283.344 -0.500 20 0 CBADRP O=C(N1CCOCC(F)(F)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157708765 815455420 /nfs/dbraw/zinc/45/54/20/815455420.db2.gz ZSGOXTSLVKMVIB-ZYHUDNBSSA-N 2 0 289.326 -0.320 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@H]2CC[C@]3(C2)C[NH2+]CCO3)C1 ZINC001157634166 815449752 /nfs/dbraw/zinc/44/97/52/815449752.db2.gz WQOMJHQRGWPRFL-GWCFXTLKSA-N 2 0 253.346 -0.295 20 0 CBADRP C[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277367 811543492 /nfs/dbraw/zinc/54/34/92/811543492.db2.gz OFDRQHNCMSIRQO-SYQHCUMBSA-N 2 0 299.415 -0.333 20 0 CBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001157716129 815455953 /nfs/dbraw/zinc/45/59/53/815455953.db2.gz LAPRPZQKPWIMNC-CHWSQXEVSA-N 3 0 296.415 -0.693 20 0 CBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001157716808 815456685 /nfs/dbraw/zinc/45/66/85/815456685.db2.gz SYGSQHOVPIQVCD-QNWHQSFQSA-N 2 0 283.372 -0.800 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)C[C@@H]([NH3+])COC(C)(C)C ZINC001157717165 815456698 /nfs/dbraw/zinc/45/66/98/815456698.db2.gz XMPOLQKADONZLZ-NEPJUHHUSA-N 2 0 287.404 -0.034 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001112159230 811561216 /nfs/dbraw/zinc/56/12/16/811561216.db2.gz XLZZMIOJKXUBDX-NXEZZACHSA-N 2 0 297.321 -0.091 20 0 CBADRP [NH3+][C@@H](C(=O)N1CC(F)(F)CC[C@@H]1CO)C1CC[NH2+]CC1 ZINC001157730026 815458044 /nfs/dbraw/zinc/45/80/44/815458044.db2.gz GXSDIOAOENRDAG-GHMZBOCLSA-N 2 0 291.342 -0.068 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]([NH3+])Cn2cccn2)CC1 ZINC001157729737 815458092 /nfs/dbraw/zinc/45/80/92/815458092.db2.gz HBNMHHVJMMEUSU-AAEUAGOBSA-N 2 0 283.351 -0.110 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@H](F)C[C@H](CO)C1 ZINC001157731402 815459180 /nfs/dbraw/zinc/45/91/80/815459180.db2.gz UPJZPZVCGYYVCN-AXFHLTTASA-N 2 0 261.341 -0.378 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@H]2COC[C@H]2[NH3+])CC1 ZINC001157753022 815461683 /nfs/dbraw/zinc/46/16/83/815461683.db2.gz CAIOVDBSHYBNLL-HOSYDEDBSA-N 2 0 259.325 -0.360 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]2C[NH2+]CCN2)CC1 ZINC001157743889 815461709 /nfs/dbraw/zinc/46/17/09/815461709.db2.gz HZKZQIXYSMHRSE-PWSUYJOCSA-N 2 0 258.341 -0.773 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC001157739129 815460389 /nfs/dbraw/zinc/46/03/89/815460389.db2.gz FROFNUUORYLKPQ-NHCYSSNCSA-N 2 0 259.325 -0.611 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC001157740645 815460465 /nfs/dbraw/zinc/46/04/65/815460465.db2.gz PQLBVFACJHTRQR-CZXHOFHRSA-N 2 0 285.363 -0.100 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]2C[NH2+]CC[C@@H]2O)CC1 ZINC001157740944 815460547 /nfs/dbraw/zinc/46/05/47/815460547.db2.gz RCUZWSQFPRNIRO-GVXVVHGQSA-N 2 0 273.352 -0.364 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC001157740041 815460630 /nfs/dbraw/zinc/46/06/30/815460630.db2.gz LIETXHFVLOJZPX-CMPLNLGQSA-N 2 0 259.325 -0.346 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)CC1 ZINC001157738715 815460726 /nfs/dbraw/zinc/46/07/26/815460726.db2.gz CFGRGZPGBHIWSC-SMDDNHRTSA-N 2 0 298.362 -0.856 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1Cc2cncnc2C1 ZINC001157714941 815455624 /nfs/dbraw/zinc/45/56/24/815455624.db2.gz ATUOKWVZGYGSAP-GFCCVEGCSA-N 2 0 290.371 -0.931 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@@](O)(CF)CC1 ZINC001157782273 815465786 /nfs/dbraw/zinc/46/57/86/815465786.db2.gz XZYKFPLANCKVED-RISCZKNCSA-N 2 0 285.363 -0.492 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2CNCc3ccnn32)C[C@@H]1[NH3+] ZINC001157792614 815467278 /nfs/dbraw/zinc/46/72/78/815467278.db2.gz CGLDSUKIUANZHR-USWWRNFRSA-N 2 0 263.345 -0.277 20 0 CBADRP N[C@]1(C(=O)N2CCC[C@@](F)(C[NH3+])CC2)CCC[NH2+]C1 ZINC001157747043 815461857 /nfs/dbraw/zinc/46/18/57/815461857.db2.gz QRWYLVTWXDQGHX-QWHCGFSZSA-N 2 0 272.368 -0.253 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)CC1 ZINC001157756346 815462475 /nfs/dbraw/zinc/46/24/75/815462475.db2.gz XQZUNNUYKUZELJ-JBLDHEPKSA-N 2 0 259.325 -0.611 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157756310 815463021 /nfs/dbraw/zinc/46/30/21/815463021.db2.gz WWPRYQBWOJRVQK-CMPLNLGQSA-N 3 0 292.424 -0.315 20 0 CBADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157755086 815463034 /nfs/dbraw/zinc/46/30/34/815463034.db2.gz NMUWFOGZOIDJEO-OUJBWJOFSA-N 2 0 288.367 -0.482 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@@H]1[NH3+] ZINC001157804841 815468514 /nfs/dbraw/zinc/46/85/14/815468514.db2.gz XWLLHVCLKBWMOP-UTLUCORTSA-N 3 0 260.407 -0.799 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@]2(C)CC[NH2+]C[C@@H]2O)C[C@@H]1[NH3+] ZINC001157798573 815468557 /nfs/dbraw/zinc/46/85/57/815468557.db2.gz FFKPEVQPBQTNAC-MPPDQPJWSA-N 2 0 255.362 -0.457 20 0 CBADRP C[C@@H]1CCN(C(=O)CN(C)[C@@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC001157804642 815468770 /nfs/dbraw/zinc/46/87/70/815468770.db2.gz UCZKCWBYMNVGTR-UPJWGTAASA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001157844301 815470347 /nfs/dbraw/zinc/47/03/47/815470347.db2.gz VWXOMMRBBJAHRM-FOGDFJRCSA-N 2 0 265.361 -0.135 20 0 CBADRP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)CN1CC[NH2+]CC1 ZINC001157844763 815470433 /nfs/dbraw/zinc/47/04/33/815470433.db2.gz XMYZSGVMCCPSHE-RYUDHWBXSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001157843797 815470589 /nfs/dbraw/zinc/47/05/89/815470589.db2.gz SWSJSBGTVCSZQC-UYLUIQCMSA-N 2 0 275.418 -0.332 20 0 CBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157850340 815472203 /nfs/dbraw/zinc/47/22/03/815472203.db2.gz XXIBJIJQEIMVGP-YRGRVCCFSA-N 3 0 297.447 -0.677 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[C@@H](O)[C@H](F)C1)C1CC[NH2+]CC1 ZINC001157855629 815472913 /nfs/dbraw/zinc/47/29/13/815472913.db2.gz OLBHRDCAFYIWFZ-MXWKQRLJSA-N 2 0 259.325 -0.755 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157863119 815474867 /nfs/dbraw/zinc/47/48/67/815474867.db2.gz UEGHDJHYLQXXNY-JTQLQIEISA-N 2 0 296.371 -0.807 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCCC(=O)[C@@H](F)C1 ZINC001157856993 815475000 /nfs/dbraw/zinc/47/50/00/815475000.db2.gz YPOQBTCQPWNMOO-ZJUUUORDSA-N 2 0 269.320 -0.675 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001157878292 815476410 /nfs/dbraw/zinc/47/64/10/815476410.db2.gz YUCFKRRLGKBRMN-VGMNWLOBSA-N 2 0 283.294 -0.318 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157902396 815479043 /nfs/dbraw/zinc/47/90/43/815479043.db2.gz APOIPQKKVIUQAV-WOPDTQHZSA-N 2 0 273.377 -0.966 20 0 CBADRP [NH3+][C@H](C(=O)N1C[C@H](CO)CC(F)(F)C1)C1CC[NH2+]CC1 ZINC001157900899 815479506 /nfs/dbraw/zinc/47/95/06/815479506.db2.gz UYDJBSLXKHEJGL-KOLCDFICSA-N 2 0 291.342 -0.211 20 0 CBADRP CN1CCN(C(=[NH2+])Nc2ncc3c(n2)CC[NH2+]C3)CC1 ZINC001157914297 815481142 /nfs/dbraw/zinc/48/11/42/815481142.db2.gz AELDXMKXWRGQPN-UHFFFAOYSA-N 2 0 275.360 -0.284 20 0 CBADRP C[C@H]1CC[C@@H](CO)N1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157916055 815482111 /nfs/dbraw/zinc/48/21/11/815482111.db2.gz XVOGXMAFDNHKSI-DCAQKATOSA-N 2 0 253.346 -0.833 20 0 CBADRP COC[C@H]1CCCCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157922446 815483349 /nfs/dbraw/zinc/48/33/49/815483349.db2.gz ODGUJKNOXMPJTK-VXGBXAGGSA-N 2 0 267.373 -0.177 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC[C@@](F)(CO)CC1 ZINC001157935282 815487006 /nfs/dbraw/zinc/48/70/06/815487006.db2.gz SXVAHPYJRWEITE-JQWIXIFHSA-N 2 0 261.341 -0.234 20 0 CBADRP O=C(N1CCC[C@](F)(CO)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157935041 815487676 /nfs/dbraw/zinc/48/76/76/815487676.db2.gz QLLVIXVPKIHWOS-BPLDGKMQSA-N 2 0 299.390 -0.101 20 0 CBADRP C[C@]1(CO)CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C[C@@H]1O ZINC001157948200 815492010 /nfs/dbraw/zinc/49/20/10/815492010.db2.gz ZRWAPNIAQZIECW-SGMGOOAPSA-N 2 0 287.404 -0.575 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@H](O)[C@@](C)(CO)C1 ZINC001157948006 815492024 /nfs/dbraw/zinc/49/20/24/815492024.db2.gz YPGPYKFGTANYOJ-SGMGOOAPSA-N 2 0 287.404 -0.705 20 0 CBADRP O=C([C@H]1[NH2+]CC[C@H]1O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157971641 815493347 /nfs/dbraw/zinc/49/33/47/815493347.db2.gz DBRRQIPJLVZAKF-MJBXVCDLSA-N 2 0 275.352 -0.118 20 0 CBADRP N[C@]1(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)CC[NH2+]C1 ZINC001157971264 815493448 /nfs/dbraw/zinc/49/34/48/815493448.db2.gz WTKUAZZCZYSRMZ-DZGCQCFKSA-N 2 0 274.368 -0.150 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCNCC(F)(F)C1 ZINC001157937366 815488419 /nfs/dbraw/zinc/48/84/19/815488419.db2.gz SONKMCURKKBJTB-QMMMGPOBSA-N 2 0 250.293 -0.880 20 0 CBADRP O=C([C@@H]1CC[NH2+]C[C@H]1F)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158077277 815501418 /nfs/dbraw/zinc/50/14/18/815501418.db2.gz SHSCACSSIHQSFQ-VXGBXAGGSA-N 2 0 285.363 -0.085 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCc2n[nH]cc2C1 ZINC001157988543 815495741 /nfs/dbraw/zinc/49/57/41/815495741.db2.gz FVFZFQGVUMIOSM-SNVBAGLBSA-N 2 0 261.329 -0.897 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCc2n[nH]cc2C1)C1CC[NH2+]CC1 ZINC001157989753 815495934 /nfs/dbraw/zinc/49/59/34/815495934.db2.gz SBJWATZSIOMJGA-GFCCVEGCSA-N 2 0 263.345 -0.379 20 0 CBADRP C[C@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[C@@H]1O ZINC001157998314 815497076 /nfs/dbraw/zinc/49/70/76/815497076.db2.gz WCQCPTATFJONSL-TUAOUCFPSA-N 2 0 267.373 -0.300 20 0 CBADRP COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001158013017 815497991 /nfs/dbraw/zinc/49/79/91/815497991.db2.gz BCHDCRMYUKQCIG-GUBZILKMSA-N 2 0 275.324 -0.445 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070898 815500618 /nfs/dbraw/zinc/50/06/18/815500618.db2.gz QWBOBGGMORGKHS-ZDUSSCGKSA-N 3 0 298.431 -0.316 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158083209 815502719 /nfs/dbraw/zinc/50/27/19/815502719.db2.gz YTGUIDRKFSCLHQ-LLVKDONJSA-N 3 0 254.378 -0.218 20 0 CBADRP [NH3+]Cc1nnnn1-c1cccc(N2CCC([NH3+])CC2)n1 ZINC001158077796 815502727 /nfs/dbraw/zinc/50/27/27/815502727.db2.gz WKMSFBRMZYXNGY-UHFFFAOYSA-N 2 0 274.332 -0.557 20 0 CBADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)CC2 ZINC001158083271 815503082 /nfs/dbraw/zinc/50/30/82/815503082.db2.gz ZYNXPPUYCIOCGT-GHMZBOCLSA-N 2 0 253.346 -0.703 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158077768 815503473 /nfs/dbraw/zinc/50/34/73/815503473.db2.gz XDLINTSUOOCMMM-UHFFFAOYSA-N 2 0 297.403 -0.379 20 0 CBADRP [NH3+][C@@H](CC1CCC1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102119 815503766 /nfs/dbraw/zinc/50/37/66/815503766.db2.gz OKJBOXGPFXNORY-SMDDNHRTSA-N 2 0 280.372 -0.806 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]C1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158092181 815504370 /nfs/dbraw/zinc/50/43/70/815504370.db2.gz LTDRAUBCBRCRIH-RISCZKNCSA-N 2 0 280.372 -0.933 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120737 815505282 /nfs/dbraw/zinc/50/52/82/815505282.db2.gz PPZHITVMRDSUIC-UEKVPHQBSA-N 2 0 292.383 -0.948 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)N2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001158160196 815506798 /nfs/dbraw/zinc/50/67/98/815506798.db2.gz JFXZYNDNYUHAPA-GMXVVIOVSA-N 2 0 252.362 -0.580 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001114779121 812160222 /nfs/dbraw/zinc/16/02/22/812160222.db2.gz XOBJEOXDAJOALC-CZXHOFHRSA-N 2 0 294.399 -0.737 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158162324 815507046 /nfs/dbraw/zinc/50/70/46/815507046.db2.gz XHFIAYIQRQTYBB-GVXVVHGQSA-N 2 0 252.362 -0.722 20 0 CBADRP O=C([C@H]1CO[C@@H]2C[NH2+]C[C@H]12)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158162088 815507222 /nfs/dbraw/zinc/50/72/22/815507222.db2.gz VBKMUQHIDWOCCK-QVHKTLOISA-N 2 0 279.384 -0.035 20 0 CBADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158159567 815507351 /nfs/dbraw/zinc/50/73/51/815507351.db2.gz DRELJSHACXFZPY-WZRBSPASSA-N 2 0 253.346 -0.689 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161852 815507456 /nfs/dbraw/zinc/50/74/56/815507456.db2.gz RKNJYBZABKNJKI-CENXUZMRSA-N 2 0 287.429 -0.173 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158196070 815512006 /nfs/dbraw/zinc/51/20/06/815512006.db2.gz IXWIIOXVWHBEMT-UONOGXRCSA-N 2 0 299.415 -0.569 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001158196979 815512016 /nfs/dbraw/zinc/51/20/16/815512016.db2.gz PLXZIRCECHICEE-JQWIXIFHSA-N 2 0 282.388 -0.702 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115074783 812177299 /nfs/dbraw/zinc/17/72/99/812177299.db2.gz SGVQKLIPNRZMLD-CZXHOFHRSA-N 2 0 294.399 -0.737 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H](C)C(=O)NC)C[C@H]21 ZINC001115081238 812177777 /nfs/dbraw/zinc/17/77/77/812177777.db2.gz NQYDNGUJPARULB-CIQGVGRVSA-N 2 0 296.415 -0.491 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](C)O)C[C@H]21 ZINC001115161862 812183019 /nfs/dbraw/zinc/18/30/19/812183019.db2.gz OGQIUSRAWYDVJT-NMKXLXIOSA-N 2 0 269.389 -0.245 20 0 CBADRP O=C(N1CC[C@@H]2[NH2+]CC[C@H]21)[C@]12C[NH2+]C[C@H]1COC2 ZINC001158199378 815512949 /nfs/dbraw/zinc/51/29/49/815512949.db2.gz WXKUMTOINBFQTF-KQXIARHKSA-N 2 0 251.330 -0.815 20 0 CBADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001115292031 812189178 /nfs/dbraw/zinc/18/91/78/812189178.db2.gz JOKFVXKCSDQEHR-NHAGDIPZSA-N 2 0 281.400 -0.099 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115303517 812190609 /nfs/dbraw/zinc/19/06/09/812190609.db2.gz FAKKJFKPEGDJHT-KZVDOYCCSA-N 2 0 296.415 -0.363 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115303515 812190920 /nfs/dbraw/zinc/19/09/20/812190920.db2.gz FAKKJFKPEGDJHT-CZXHOFHRSA-N 2 0 296.415 -0.363 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115303722 812191011 /nfs/dbraw/zinc/19/10/11/812191011.db2.gz IRAQJQICNYOHDG-CZXHOFHRSA-N 2 0 294.399 -0.739 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCCCC1 ZINC001115450632 812196532 /nfs/dbraw/zinc/19/65/32/812196532.db2.gz IFZUHGLCOVZZIB-LBPRGKRZSA-N 2 0 296.415 -0.025 20 0 CBADRP Cc1cnc(-n2cncc2C[C@@H]([NH3+])CO)c(C[NH3+])c1 ZINC001158206511 815514164 /nfs/dbraw/zinc/51/41/64/815514164.db2.gz SLLBTGOFTRDYFK-LLVKDONJSA-N 2 0 261.329 -0.103 20 0 CBADRP O=C(N1CCC2(COC2)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158169626 815508539 /nfs/dbraw/zinc/50/85/39/815508539.db2.gz VHEKDNZLJQXWGU-BXUZGUMPSA-N 2 0 265.357 -0.566 20 0 CBADRP O=C([C@@H]1C[C@@H](F)CC[NH2+]1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158166613 815508548 /nfs/dbraw/zinc/50/85/48/815508548.db2.gz ALNRWNBZKSCUTJ-NOOOWODRSA-N 2 0 271.336 -0.477 20 0 CBADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168190 815508575 /nfs/dbraw/zinc/50/85/75/815508575.db2.gz DCOVFRHZRARLFG-RWMBFGLXSA-N 2 0 278.400 -0.319 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC001158166563 815508588 /nfs/dbraw/zinc/50/85/88/815508588.db2.gz AEEPSAWSQMVHGR-FDYHWXHSSA-N 2 0 267.373 -0.179 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)N2CCC3(CCC[NH2+]3)CC2)C1 ZINC001158170096 815509456 /nfs/dbraw/zinc/50/94/56/815509456.db2.gz VLRPCOIAIYLBGI-MNOVXSKESA-N 2 0 252.362 -0.580 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001158187489 815510346 /nfs/dbraw/zinc/51/03/46/815510346.db2.gz SBOSKLFHBTYJKZ-DMLGSKKGSA-N 2 0 252.362 -0.737 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158191213 815511619 /nfs/dbraw/zinc/51/16/19/815511619.db2.gz NGVZALRMDQKZOI-LXVYMNJGSA-N 2 0 282.388 -0.430 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001158196978 815511696 /nfs/dbraw/zinc/51/16/96/815511696.db2.gz PLXZIRCECHICEE-CMPLNLGQSA-N 2 0 282.388 -0.702 20 0 CBADRP O=C(c1n[nH]c2c1CC[NH2+]C2)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158231800 815514676 /nfs/dbraw/zinc/51/46/76/815514676.db2.gz PTQCAECGTADEFW-GXSJLCMTSA-N 2 0 261.329 -0.368 20 0 CBADRP CO[C@H]1CC[NH2+][C@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001158216416 815514754 /nfs/dbraw/zinc/51/47/54/815514754.db2.gz ZQBCTFFMXBWKSC-FIQHERPVSA-N 2 0 253.346 -0.284 20 0 CBADRP COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001158235492 815515026 /nfs/dbraw/zinc/51/50/26/815515026.db2.gz MOYZHRACMJTODL-MJVIPROJSA-N 2 0 299.371 -0.909 20 0 CBADRP C[NH2+][C@@H]1CCCN(CC(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001158214954 815515035 /nfs/dbraw/zinc/51/50/35/815515035.db2.gz GNQKCDTZMBZHGR-FRRDWIJNSA-N 2 0 266.389 -0.367 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](Nc2cc(C[NH3+])ncn2)CN1 ZINC001158254488 815516528 /nfs/dbraw/zinc/51/65/28/815516528.db2.gz SRMUMKANHWSTPT-BDAKNGLRSA-N 2 0 251.290 -0.749 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC2(C1)CCCO2 ZINC001158241328 815516611 /nfs/dbraw/zinc/51/66/11/815516611.db2.gz UQBYOBNAEGPNSS-GFCCVEGCSA-N 2 0 282.388 -0.872 20 0 CBADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cn(C)nn1 ZINC001116655255 812289610 /nfs/dbraw/zinc/28/96/10/812289610.db2.gz NSWGQGKJTHJEIP-GFCCVEGCSA-N 2 0 266.393 -0.069 20 0 CBADRP [NH3+][C@H](C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1)C1CCC(O)CC1 ZINC001158305051 815518617 /nfs/dbraw/zinc/51/86/17/815518617.db2.gz BCLGNWHLOFMPSM-TXTTUAKNSA-N 2 0 267.373 -0.315 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158414266 815526689 /nfs/dbraw/zinc/52/66/89/815526689.db2.gz FFIQJUOCQSIZSK-SRVKXCTJSA-N 2 0 263.345 -0.747 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001158327466 815520831 /nfs/dbraw/zinc/52/08/31/815520831.db2.gz IWMZHQNUHFJPHH-XKNYDFJKSA-N 2 0 261.366 -0.178 20 0 CBADRP Cc1nc2c([nH]1)CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2 ZINC001158339367 815522007 /nfs/dbraw/zinc/52/20/07/815522007.db2.gz OWDAVPMAXCBLAG-JTQLQIEISA-N 2 0 265.361 -0.288 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC)CC[N@@H+]1C ZINC001158413053 815526887 /nfs/dbraw/zinc/52/68/87/815526887.db2.gz UMBLTZDTEDBWSY-RWMBFGLXSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC)CC[N@@H+]1C ZINC001158413052 815526939 /nfs/dbraw/zinc/52/69/39/815526939.db2.gz UMBLTZDTEDBWSY-FRRDWIJNSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC001118035051 812464215 /nfs/dbraw/zinc/46/42/15/812464215.db2.gz LCDJMAYTMFTOLM-QWRGUYRKSA-N 2 0 284.404 -0.171 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC001118035050 812464281 /nfs/dbraw/zinc/46/42/81/812464281.db2.gz LCDJMAYTMFTOLM-MNOVXSKESA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158424500 815527759 /nfs/dbraw/zinc/52/77/59/815527759.db2.gz SBLDSMMHIFVQRB-SDDRHHMPSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC[NH2+]1 ZINC001118122420 812474088 /nfs/dbraw/zinc/47/40/88/812474088.db2.gz WDPBUJGTVJPZKD-OLZOCXBDSA-N 2 0 294.399 -0.497 20 0 CBADRP C[NH+](C)Cc1ccnc(NC(=O)CNC(=O)C[NH3+])c1 ZINC001118136870 812477124 /nfs/dbraw/zinc/47/71/24/812477124.db2.gz YATWBQGORFDPGW-UHFFFAOYSA-N 2 0 265.317 -0.843 20 0 CBADRP C[NH2+]CC1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC001118141338 812477754 /nfs/dbraw/zinc/47/77/54/812477754.db2.gz YNDITTSKZHHKJZ-GFCCVEGCSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC001118140049 812478189 /nfs/dbraw/zinc/47/81/89/812478189.db2.gz GWHGKLHXYOZFLT-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158424284 815528592 /nfs/dbraw/zinc/52/85/92/815528592.db2.gz RIQKCOSXWREEBK-RWMBFGLXSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@@H](NC(=O)c1cn(C2CC[NH2+]CC2)nn1)[C@H](C)[NH3+] ZINC001118157288 812481917 /nfs/dbraw/zinc/48/19/17/812481917.db2.gz CHVQZSGLUCBBIG-DTWKUNHWSA-N 2 0 266.349 -0.332 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001118157289 812482067 /nfs/dbraw/zinc/48/20/67/812482067.db2.gz CHVQZSGLUCBBIG-IUCAKERBSA-N 2 0 266.349 -0.332 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001118179334 812486215 /nfs/dbraw/zinc/48/62/15/812486215.db2.gz QYUBXKWCBQFANW-RWMBFGLXSA-N 2 0 268.405 -0.147 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC001118199957 812492138 /nfs/dbraw/zinc/49/21/38/812492138.db2.gz XFCGFDWDLYHNRE-SRVKXCTJSA-N 2 0 255.362 -0.227 20 0 CBADRP [NH3+]Cc1cnnn1-c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001158428361 815529558 /nfs/dbraw/zinc/52/95/58/815529558.db2.gz UFMVMDRYOZMGTF-UHFFFAOYSA-N 2 0 275.316 -0.353 20 0 CBADRP CC(C)C[NH2+]CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001118203173 812495224 /nfs/dbraw/zinc/49/52/24/812495224.db2.gz DPGOJAGATFJPKK-ZDUSSCGKSA-N 2 0 268.405 -0.262 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)COCC[NH3+])CC1 ZINC001118222052 812498652 /nfs/dbraw/zinc/49/86/52/812498652.db2.gz OFIYZMNYFAWPLF-UHFFFAOYSA-N 2 0 272.393 -0.896 20 0 CBADRP C(CN1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[NH2+]CC1 ZINC001118223080 812499792 /nfs/dbraw/zinc/49/97/92/812499792.db2.gz NDBBPNNBKRCOSE-HNNXBMFYSA-N 2 0 282.432 -0.312 20 0 CBADRP CC(C)([NH3+])C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001118226330 812500325 /nfs/dbraw/zinc/50/03/25/812500325.db2.gz GULGTPWMMRPULB-JTQLQIEISA-N 2 0 266.349 -0.362 20 0 CBADRP C[NH2+][C@@H](C(=O)N1CC[C@@H](C[NH3+])C1)c1cnn(C)c1 ZINC001118255862 812509826 /nfs/dbraw/zinc/50/98/26/812509826.db2.gz HCFICCQXWPJUTF-GXSJLCMTSA-N 2 0 251.334 -0.512 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001118265112 812511254 /nfs/dbraw/zinc/51/12/54/812511254.db2.gz KXBHFXAFJIJUOQ-UHFFFAOYSA-N 2 0 296.375 -0.891 20 0 CBADRP CC[C@H]1CN(CC(=O)N2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC001118264234 812511323 /nfs/dbraw/zinc/51/13/23/812511323.db2.gz ZCCSJNMVHUGWAC-RYUDHWBXSA-N 2 0 254.378 -0.523 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001118261256 812512157 /nfs/dbraw/zinc/51/21/57/812512157.db2.gz RZHWHEHMFAKMLZ-LLVKDONJSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC001118270162 812514469 /nfs/dbraw/zinc/51/44/69/812514469.db2.gz WQFQDKZLAWFPGK-JTQLQIEISA-N 2 0 251.334 -0.575 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC001118276667 812516450 /nfs/dbraw/zinc/51/64/50/812516450.db2.gz AVQATIXTIIQYGD-UPJWGTAASA-N 3 0 268.405 -0.005 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001118330781 812532189 /nfs/dbraw/zinc/53/21/89/812532189.db2.gz ZCNICEUMVCKPGN-JTQLQIEISA-N 2 0 296.375 -0.763 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@H](N)CC[NH+](C)C)CC[N@@H+]1C ZINC001118337470 812534101 /nfs/dbraw/zinc/53/41/01/812534101.db2.gz NYVLODUUWCJIPH-IJLUTSLNSA-N 2 0 256.394 -0.136 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001118337466 812534914 /nfs/dbraw/zinc/53/49/14/812534914.db2.gz NWSBPVXZBBIVQB-WOPDTQHZSA-N 2 0 254.378 -0.524 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158566261 815538491 /nfs/dbraw/zinc/53/84/91/815538491.db2.gz AKZJVPUZHXUIOT-MXWKQRLJSA-N 2 0 287.335 -0.588 20 0 CBADRP O=C(NCCC[NH2+]CCF)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158507052 815536061 /nfs/dbraw/zinc/53/60/61/815536061.db2.gz OWJURANOKPJSIG-NWDGAFQWSA-N 2 0 273.352 -0.085 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC001118485807 812554709 /nfs/dbraw/zinc/55/47/09/812554709.db2.gz GRSLPGNNXFYOKP-TUAOUCFPSA-N 2 0 282.388 -0.547 20 0 CBADRP CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001158524262 815536187 /nfs/dbraw/zinc/53/61/87/815536187.db2.gz NMJUTUJKJAKHJV-NRUUGDAUSA-N 2 0 269.345 -0.393 20 0 CBADRP COCCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158508280 815536308 /nfs/dbraw/zinc/53/63/08/815536308.db2.gz UYPOWPGOZJFIJR-ZIAGYGMSSA-N 2 0 299.415 -0.018 20 0 CBADRP Cn1cncc1CCC[NH2+]C1(C(N)=O)CCOCC1 ZINC001118500950 812559701 /nfs/dbraw/zinc/55/97/01/812559701.db2.gz CSCBVYHEWVYENE-UHFFFAOYSA-N 2 0 266.345 -0.023 20 0 CBADRP COCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158509141 815536626 /nfs/dbraw/zinc/53/66/26/815536626.db2.gz ZHXPSVPJBYCRMY-OLZOCXBDSA-N 2 0 285.388 -0.408 20 0 CBADRP CN(CC[NH3+])C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001118505127 812560610 /nfs/dbraw/zinc/56/06/10/812560610.db2.gz AGTYZZSWKRVDAZ-SNVBAGLBSA-N 2 0 266.349 -0.377 20 0 CBADRP C([C@H]1C[NH2+]CCO1)N1CC[NH+](C2CCOCC2)CC1 ZINC001118506395 812562678 /nfs/dbraw/zinc/56/26/78/812562678.db2.gz PAGVCZLPBIQYRL-CQSZACIVSA-N 2 0 269.389 -0.229 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)=NO1 ZINC001118506934 812563821 /nfs/dbraw/zinc/56/38/21/812563821.db2.gz SFMIQHGXFRUALZ-GXFFZTMASA-N 2 0 266.345 -0.308 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[C@@H](C)[NH2+]C)C1 ZINC001118550362 812573178 /nfs/dbraw/zinc/57/31/78/812573178.db2.gz DZLSGSUCSMMRPE-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158567167 815537886 /nfs/dbraw/zinc/53/78/86/815537886.db2.gz FKTJUIFUYOTHIC-USWWRNFRSA-N 2 0 295.362 -0.185 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001118569350 812578976 /nfs/dbraw/zinc/57/89/76/812578976.db2.gz FKJCTKXMROXBMD-QJPTWQEYSA-N 2 0 265.361 -0.329 20 0 CBADRP C[NH2+]CCC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158545017 815537970 /nfs/dbraw/zinc/53/79/70/815537970.db2.gz FYPWQUSQAUYZAL-DMDPSCGWSA-N 2 0 253.346 -0.425 20 0 CBADRP Cc1c(C[NH3+])c(NC(=O)C2=NO[C@H](C[NH3+])C2)nn1C ZINC001118572549 812580031 /nfs/dbraw/zinc/58/00/31/812580031.db2.gz SPKHEFXVEHWKIE-ZETCQYMHSA-N 2 0 266.305 -0.771 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001118571870 812580581 /nfs/dbraw/zinc/58/05/81/812580581.db2.gz KIVNCPQTSDEWCT-SSDOTTSWSA-N 2 0 253.306 -0.887 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158566635 815538144 /nfs/dbraw/zinc/53/81/44/815538144.db2.gz BXLYHIGRSQDUCO-BBBLOLIVSA-N 2 0 259.325 -0.769 20 0 CBADRP N[C@@H](C[NH3+])C(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158546468 815538203 /nfs/dbraw/zinc/53/82/03/815538203.db2.gz ILJYJSODGPISAO-YCPHGPKFSA-N 2 0 288.395 -0.122 20 0 CBADRP N[C@]1(C(=O)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)CCC[NH2+]C1 ZINC001158578150 815539120 /nfs/dbraw/zinc/53/91/20/815539120.db2.gz KQTGZQHXGZZHEU-UHIISALHSA-N 2 0 284.379 -0.397 20 0 CBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@H]2CF)CC1 ZINC001158578566 815539317 /nfs/dbraw/zinc/53/93/17/815539317.db2.gz MJSVUNKZAWJQTP-YTWAJWBKSA-N 2 0 271.336 -0.755 20 0 CBADRP [NH3+]C1([C@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@@H]2CF)CC1 ZINC001158577015 815539340 /nfs/dbraw/zinc/53/93/40/815539340.db2.gz FYVGKRDVBSOLBP-NAKRPEOUSA-N 2 0 271.336 -0.755 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)C1 ZINC001158576612 815539777 /nfs/dbraw/zinc/53/97/77/815539777.db2.gz CCPJKOXRIMNRTF-ZDCRXTMVSA-N 2 0 270.352 -0.789 20 0 CBADRP COCCN1CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001158605066 815540307 /nfs/dbraw/zinc/54/03/07/815540307.db2.gz UTRUEYMUEMSCSO-CYBMUJFWSA-N 2 0 284.404 -0.896 20 0 CBADRP COCCN1CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001158603144 815540533 /nfs/dbraw/zinc/54/05/33/815540533.db2.gz GBYZZXWFOOONOW-ZDUSSCGKSA-N 2 0 286.420 -0.377 20 0 CBADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CNC1CC[NH2+]CC1 ZINC001158626306 815540553 /nfs/dbraw/zinc/54/05/53/815540553.db2.gz JXZWIBYELBFFJB-NWDGAFQWSA-N 2 0 268.405 -0.121 20 0 CBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1cc(C[NH3+])ncn1)CC2 ZINC001158640213 815542029 /nfs/dbraw/zinc/54/20/29/815542029.db2.gz XRVGBKJGICXSBJ-SMDDNHRTSA-N 2 0 291.355 -0.333 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1cc(C[NH3+])ncn1)CC2 ZINC001158640212 815542245 /nfs/dbraw/zinc/54/22/45/815542245.db2.gz XRVGBKJGICXSBJ-RISCZKNCSA-N 2 0 291.355 -0.333 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001118861484 812644039 /nfs/dbraw/zinc/64/40/39/812644039.db2.gz JFPFILDFFPKVAM-WDEREUQCSA-N 2 0 258.366 -0.650 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001118861482 812644459 /nfs/dbraw/zinc/64/44/59/812644459.db2.gz JFPFILDFFPKVAM-MNOVXSKESA-N 2 0 258.366 -0.650 20 0 CBADRP CO[C@@H]1CN(c2ccc(N3CC[NH+](C)CC3)nn2)C[C@@H]1[NH3+] ZINC001158704309 815543619 /nfs/dbraw/zinc/54/36/19/815543619.db2.gz NTCNAPOOGXHPRF-NWDGAFQWSA-N 2 0 292.387 -0.609 20 0 CBADRP COCC[C@@H]([NH3+])Cc1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC001118917888 812661989 /nfs/dbraw/zinc/66/19/89/812661989.db2.gz PLVMKEMQYIYNDH-PWSUYJOCSA-N 2 0 269.349 -0.827 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001118919982 812662160 /nfs/dbraw/zinc/66/21/60/812662160.db2.gz RLOWBLMTJBYFDE-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)NCC1([NH3+])CCOCC1 ZINC001118921656 812663479 /nfs/dbraw/zinc/66/34/79/812663479.db2.gz ZLCAVAUMUASRCR-JTQLQIEISA-N 2 0 258.366 -0.351 20 0 CBADRP CC(C)N(C(=O)[C@@H](N)C[NH3+])c1ncnc2c1CC[NH2+]CC2 ZINC001158759165 815545119 /nfs/dbraw/zinc/54/51/19/815545119.db2.gz JOAUZVRVVCYZQZ-NSHDSACASA-N 2 0 292.387 -0.808 20 0 CBADRP [NH3+]C1CCN(CCc2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC001118979816 812681875 /nfs/dbraw/zinc/68/18/75/812681875.db2.gz XYKVXTRHDIDOFW-ZDUSSCGKSA-N 2 0 264.377 -0.222 20 0 CBADRP [NH3+]CCOCC[NH+]1CCN(CCc2cnccn2)CC1 ZINC001118993908 812686418 /nfs/dbraw/zinc/68/64/18/812686418.db2.gz LKJNCMGLUONTIU-UHFFFAOYSA-N 2 0 279.388 -0.388 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N(C)C[C@H](O)CO ZINC001158798154 815548537 /nfs/dbraw/zinc/54/85/37/815548537.db2.gz FVPGMASVYAFSLW-RYUDHWBXSA-N 2 0 275.393 -0.706 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCCN(CC(N)=O)C1 ZINC001119236781 812727862 /nfs/dbraw/zinc/72/78/62/812727862.db2.gz CQDVQQYAJSWFFB-VYWDXUPNSA-N 2 0 294.399 -0.536 20 0 CBADRP C[NH2+]CCOCCNC(=O)c1ccnc(C[NH3+])c1 ZINC001119243177 812730272 /nfs/dbraw/zinc/73/02/72/812730272.db2.gz NAXJPVAIFDOYOI-UHFFFAOYSA-N 2 0 252.318 -0.494 20 0 CBADRP CCN(CC[NH3+])C(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001119243192 812730311 /nfs/dbraw/zinc/73/03/11/812730311.db2.gz NFOBHMJRYPCDRW-KRWDZBQOSA-N 2 0 261.391 -0.706 20 0 CBADRP C[NH+](C)CCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001119240539 812730331 /nfs/dbraw/zinc/73/03/31/812730331.db2.gz XIIKUNYDTCAYJS-KRWDZBQOSA-N 2 0 261.391 -0.835 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001119242254 812730917 /nfs/dbraw/zinc/73/09/17/812730917.db2.gz XQTKKTHWYXXSOD-ZJUUUORDSA-N 2 0 266.349 -0.378 20 0 CBADRP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CC1 ZINC001119253435 812733473 /nfs/dbraw/zinc/73/34/73/812733473.db2.gz KGDOKFRLTRRHLM-ITGUQSILSA-N 2 0 267.373 -0.633 20 0 CBADRP [NH3+][C@H]1CC[C@@H](C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC001119291791 812743354 /nfs/dbraw/zinc/74/33/54/812743354.db2.gz SBHLADWWDMHZCI-PHIMTYICSA-N 2 0 268.361 -0.948 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001119295607 812744338 /nfs/dbraw/zinc/74/43/38/812744338.db2.gz DZGGSHFHYCSDQV-CYBMUJFWSA-N 2 0 263.345 -0.296 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001119294401 812744475 /nfs/dbraw/zinc/74/44/75/812744475.db2.gz AHPVWBBNEDBHBR-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](NC(=O)[C@@H](N)CC[NH+](C)C)C1CC[NH2+]CC1 ZINC001119295757 812745508 /nfs/dbraw/zinc/74/55/08/812745508.db2.gz NFRRGDWPTGMVFM-JQWIXIFHSA-N 2 0 256.394 -0.230 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001119295859 812745846 /nfs/dbraw/zinc/74/58/46/812745846.db2.gz YVVWCNMFHKSSDY-RWMBFGLXSA-N 2 0 296.415 -0.027 20 0 CBADRP CCN(C(=O)c1[nH]nc2c1C[NH2+]CC2)[C@H]1CC[NH2+]C1 ZINC001119322601 812753663 /nfs/dbraw/zinc/75/36/63/812753663.db2.gz QFNZJLVYOMKIRA-VIFPVBQESA-N 2 0 263.345 -0.121 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001119324513 812754901 /nfs/dbraw/zinc/75/49/01/812754901.db2.gz GLNJJTIXOGWQER-IUCAKERBSA-N 2 0 265.304 -0.289 20 0 CBADRP C[NH+]1CC2(CN(c3ncnc4c3CC[NH2+]CC4)C2)C1 ZINC001158859902 815551196 /nfs/dbraw/zinc/55/11/96/815551196.db2.gz QBTKZYYECHXYPK-UHFFFAOYSA-N 2 0 259.357 -0.083 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001119352510 812764122 /nfs/dbraw/zinc/76/41/22/812764122.db2.gz MGRGCEBDCXZTMJ-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1)C1CC1 ZINC001119355891 812765473 /nfs/dbraw/zinc/76/54/73/812765473.db2.gz ZRSDJBKAJZXSAE-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP [NH3+]CCN(CC(F)(F)F)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC001119361745 812766503 /nfs/dbraw/zinc/76/65/03/812766503.db2.gz OZBHTLVEWUTJGV-MRVPVSSYSA-N 2 0 269.267 -0.286 20 0 CBADRP CCN(C(=O)CN1CC[NH+](CC)CC1)[C@H]1CC[NH2+]C1 ZINC001119380969 812772663 /nfs/dbraw/zinc/77/26/63/812772663.db2.gz NICKXZFJWXOPCX-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC001119407878 812776304 /nfs/dbraw/zinc/77/63/04/812776304.db2.gz RBOYZSBGEKOKEK-FDYHWXHSSA-N 2 0 296.415 -0.029 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC001119403698 812776340 /nfs/dbraw/zinc/77/63/40/812776340.db2.gz ZXQCCMVFKRWWNU-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CN1CC[NH+](C2CCN(C(=O)NCC[NH3+])CC2)CC1 ZINC001119415000 812778006 /nfs/dbraw/zinc/77/80/06/812778006.db2.gz PGKFNNXUYHJHSG-UHFFFAOYSA-N 2 0 269.393 -0.634 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001119418645 812779603 /nfs/dbraw/zinc/77/96/03/812779603.db2.gz RNXMQMIDIJTTJQ-SRVKXCTJSA-N 2 0 294.399 -0.560 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001119423756 812782290 /nfs/dbraw/zinc/78/22/90/812782290.db2.gz RIGRVDBZNFEYFK-QDMLRJGXSA-N 2 0 282.388 -0.704 20 0 CBADRP Cn1cncc1CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC001119439409 812785833 /nfs/dbraw/zinc/78/58/33/812785833.db2.gz RLSNXOQAISYMDJ-SECBINFHSA-N 2 0 253.306 -0.792 20 0 CBADRP [NH3+][C@H]1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC001119611078 812832407 /nfs/dbraw/zinc/83/24/07/812832407.db2.gz LRPJKHGVRVWIEH-QWRGUYRKSA-N 2 0 250.350 -0.264 20 0 CBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2CC[NH2+]2)C1 ZINC001159132516 815559701 /nfs/dbraw/zinc/55/97/01/815559701.db2.gz ADZSIERJLWUWDJ-RYUDHWBXSA-N 2 0 277.372 -0.235 20 0 CBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)C[C@H](O)C[NH3+])C1 ZINC001159133539 815560664 /nfs/dbraw/zinc/56/06/64/815560664.db2.gz JJJAKSLPUTWJND-RYUDHWBXSA-N 2 0 295.387 -0.887 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)NCCC[NH2+]CC(=O)NC ZINC001159154759 815560666 /nfs/dbraw/zinc/56/06/66/815560666.db2.gz BVJKLSYGGBWCAK-NSHDSACASA-N 2 0 290.383 -0.492 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001159132631 815560764 /nfs/dbraw/zinc/56/07/64/815560764.db2.gz BWQLEJVFIQGKMR-GHMZBOCLSA-N 2 0 265.361 -0.250 20 0 CBADRP CC(C)(C)N(C(=O)[C@@H](N)C[NH3+])[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160271 815560897 /nfs/dbraw/zinc/56/08/97/815560897.db2.gz HCVVKIMAXCTIFW-NEPJUHHUSA-N 2 0 298.431 -0.189 20 0 CBADRP Cn1nnnc1CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC001119904260 812904987 /nfs/dbraw/zinc/90/49/87/812904987.db2.gz PJWFSLFDYRXCKG-UHFFFAOYSA-N 2 0 268.365 -0.859 20 0 CBADRP C([C@@H]1C[C@@H]2COC[C@@H]2O1)N1CC[NH2+]CC[NH2+]CC1 ZINC001120266642 812943742 /nfs/dbraw/zinc/94/37/42/812943742.db2.gz VJCYSLMAMXHPQC-AGIUHOORSA-N 2 0 255.362 -0.715 20 0 CBADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)NCC2C[NH2+]C2)c1 ZINC001120431620 812964957 /nfs/dbraw/zinc/96/49/57/812964957.db2.gz AGFXGUXPIKDWGY-UHFFFAOYSA-N 2 0 291.355 -0.901 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159292676 815567334 /nfs/dbraw/zinc/56/73/34/815567334.db2.gz XWSTYDYGTAFCGJ-ZDUSSCGKSA-N 2 0 295.383 -0.179 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NCCOCC[NH+](C)C ZINC001120531987 812984036 /nfs/dbraw/zinc/98/40/36/812984036.db2.gz HBWOPEHTTHLDCN-NEPJUHHUSA-N 2 0 272.393 -0.281 20 0 CBADRP [NH3+]CCNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001120538501 812985820 /nfs/dbraw/zinc/98/58/20/812985820.db2.gz OKXXVWFSTDLVDH-WDEREUQCSA-N 2 0 256.350 -0.814 20 0 CBADRP [NH3+]CCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001120538497 812985883 /nfs/dbraw/zinc/98/58/83/812985883.db2.gz OKXXVWFSTDLVDH-MNOVXSKESA-N 2 0 256.350 -0.814 20 0 CBADRP [NH3+][C@H]1CCC[C@H](NC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001120544905 812987847 /nfs/dbraw/zinc/98/78/47/812987847.db2.gz WSXPWBRIBDOGDR-RYUDHWBXSA-N 2 0 269.393 -0.539 20 0 CBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159290128 815567781 /nfs/dbraw/zinc/56/77/81/815567781.db2.gz DHCRNTOJOPCUEL-CHWSQXEVSA-N 2 0 279.384 -0.347 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001120550468 812989328 /nfs/dbraw/zinc/98/93/28/812989328.db2.gz FSHNSUAWUPHKAL-LLVKDONJSA-N 2 0 258.366 -0.397 20 0 CBADRP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001120547075 812989369 /nfs/dbraw/zinc/98/93/69/812989369.db2.gz WWLAJRTVAODDIQ-CFDXXZMTSA-N 2 0 250.346 -0.273 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)NC2CC3(CC([NH3+])C3)C2)CCO1 ZINC001120584376 812996081 /nfs/dbraw/zinc/99/60/81/812996081.db2.gz GFVRLEMWVHJPRR-XPOXDWOYSA-N 2 0 268.361 -0.375 20 0 CBADRP C[C@H](CC[NH2+]CC1(O)CCS(=O)(=O)CC1)N(C)C ZINC001120583663 812996131 /nfs/dbraw/zinc/99/61/31/812996131.db2.gz XCEAXNARYUCPAU-LLVKDONJSA-N 2 0 278.418 -0.144 20 0 CBADRP CCN1CC[C@@]2(CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@@H]2C)C1=O ZINC001159316596 815568656 /nfs/dbraw/zinc/56/86/56/815568656.db2.gz JWXPKGUPVZDHBA-HUBLWGQQSA-N 2 0 296.415 -0.231 20 0 CBADRP COCC[NH2+]CCNC(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001120631348 813003682 /nfs/dbraw/zinc/00/36/82/813003682.db2.gz IZFTUBKRBWLMMY-SNVBAGLBSA-N 2 0 258.366 -0.399 20 0 CBADRP [NH3+]C/C=C\CNC(=O)NCCN1CCC([NH3+])CC1 ZINC001120631849 813003766 /nfs/dbraw/zinc/00/37/66/813003766.db2.gz UZLSACYHADRRDI-UPHRSURJSA-N 2 0 255.366 -0.776 20 0 CBADRP [NH3+]CCCCCCNC(=O)N1CCNCC[NH2+]CC1 ZINC001120633365 813004100 /nfs/dbraw/zinc/00/41/00/813004100.db2.gz JMTSJHZMLPUZMS-UHFFFAOYSA-N 2 0 271.409 -0.290 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001120645523 813006074 /nfs/dbraw/zinc/00/60/74/813006074.db2.gz YGRAYERTPBGGCT-KXNHARMFSA-N 2 0 252.362 -0.297 20 0 CBADRP [NH3+]C1(CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC001120663822 813009804 /nfs/dbraw/zinc/00/98/04/813009804.db2.gz CLHGJTJARYHWBY-LLVKDONJSA-N 2 0 267.377 -0.833 20 0 CBADRP CN1CCO[C@@H](C(=O)N[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001120688234 813011487 /nfs/dbraw/zinc/01/14/87/813011487.db2.gz ZONGJCRUIVVLCT-VXGBXAGGSA-N 2 0 253.346 -0.473 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001121809728 813076381 /nfs/dbraw/zinc/07/63/81/813076381.db2.gz LRUMWXBGDKFNBD-LBPRGKRZSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC1(C[NH3+])CCCC1 ZINC001121895076 813084450 /nfs/dbraw/zinc/08/44/50/813084450.db2.gz AKOKQJNCLDMSMO-NWDGAFQWSA-N 2 0 266.389 -0.238 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)NCCC[NH+]2CCCC2)C1=O ZINC001121900808 813086315 /nfs/dbraw/zinc/08/63/15/813086315.db2.gz JYWMGQQGQMPYIL-ZDUSSCGKSA-N 2 0 296.415 -0.214 20 0 CBADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001121904174 813088203 /nfs/dbraw/zinc/08/82/03/813088203.db2.gz UNTBEHKFVQEBGV-HZSPNIEDSA-N 2 0 281.400 -0.195 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001121942952 813093084 /nfs/dbraw/zinc/09/30/84/813093084.db2.gz FRQBJSQYRBICFB-NXEZZACHSA-N 2 0 261.391 -0.439 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001121942953 813093225 /nfs/dbraw/zinc/09/32/25/813093225.db2.gz FRQBJSQYRBICFB-VHSXEESVSA-N 2 0 261.391 -0.439 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)CNCC[NH3+])c1ccccc1 ZINC001121975358 813099664 /nfs/dbraw/zinc/09/96/64/813099664.db2.gz QYCBOHVHWSDWGE-ZDUSSCGKSA-N 2 0 264.373 -0.046 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC1CC[NH+](C)CC1 ZINC001121975615 813100209 /nfs/dbraw/zinc/10/02/09/813100209.db2.gz SRXTWEHDZCAMCS-SNVBAGLBSA-N 2 0 257.334 -0.523 20 0 CBADRP CC[N@@H+]1CCC[C@H](CNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001121989676 813101036 /nfs/dbraw/zinc/10/10/36/813101036.db2.gz VKKFOAFRXVDNBO-DYEKYZERSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH+](C)[C@@]1(CNC(=O)CNCC[NH3+])CCSC1 ZINC001121990159 813101079 /nfs/dbraw/zinc/10/10/79/813101079.db2.gz BWPJLTLXAPOGFR-LLVKDONJSA-N 2 0 260.407 -0.912 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1C[NH2+]CCC12CCC2 ZINC001121987829 813101413 /nfs/dbraw/zinc/10/14/13/813101413.db2.gz BIXIUWYJUZZAGA-VXGBXAGGSA-N 2 0 267.373 -0.129 20 0 CBADRP COCC[NH2+]CC(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001122000956 813102211 /nfs/dbraw/zinc/10/22/11/813102211.db2.gz IMKQAGLHXJORMR-SNVBAGLBSA-N 2 0 261.391 -0.566 20 0 CBADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001121996787 813102241 /nfs/dbraw/zinc/10/22/41/813102241.db2.gz NOMXGLNXDPBJHZ-STQMWFEESA-N 2 0 296.415 -0.358 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001121998132 813103117 /nfs/dbraw/zinc/10/31/17/813103117.db2.gz QPOCTQMJRPEQNF-STQMWFEESA-N 2 0 266.389 -0.510 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001121998129 813103137 /nfs/dbraw/zinc/10/31/37/813103137.db2.gz QPOCTQMJRPEQNF-CHWSQXEVSA-N 2 0 266.389 -0.510 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC001122011163 813104271 /nfs/dbraw/zinc/10/42/71/813104271.db2.gz JNCYVPFWKIMSTR-LNFKQOIKSA-N 2 0 255.362 -0.330 20 0 CBADRP [NH3+]CC1(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC(O)C1 ZINC001122023580 813106684 /nfs/dbraw/zinc/10/66/84/813106684.db2.gz NNFQGEWYIIUYNV-CCNFQMFXSA-N 2 0 263.288 -0.800 20 0 CBADRP O=C(NCC1(O)C[NH2+]C1)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC001122054838 813109873 /nfs/dbraw/zinc/10/98/73/813109873.db2.gz AJQWYZRWFXPDBY-TUAOUCFPSA-N 2 0 267.373 -0.252 20 0 CBADRP C[C@@H]1C[C@H](C)N(C(=O)[C@H]2C[NH2+]CCN2C)C[C@@H]1C[NH3+] ZINC001122075139 813113076 /nfs/dbraw/zinc/11/30/76/813113076.db2.gz GVBSCCLQWCKJBP-MROQNXINSA-N 2 0 268.405 -0.278 20 0 CBADRP [NH3+]C[C@@H](O)CNC(=O)c1cc2c(s1)C[NH2+]CC2 ZINC001122073219 813113542 /nfs/dbraw/zinc/11/35/42/813113542.db2.gz KVGXIYHDKQKIKR-MRVPVSSYSA-N 2 0 255.343 -0.557 20 0 CBADRP [NH3+]CCCSCCC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001122083341 813114520 /nfs/dbraw/zinc/11/45/20/813114520.db2.gz YDLSOEWHZQRVRE-UHFFFAOYSA-N 2 0 273.402 -0.341 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NCCC[NH2+]C1CC1 ZINC001122087477 813115303 /nfs/dbraw/zinc/11/53/03/813115303.db2.gz RIGBPUBKUHLDQZ-ZDUSSCGKSA-N 2 0 255.362 -0.251 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001122093685 813115623 /nfs/dbraw/zinc/11/56/23/813115623.db2.gz DGHCRSCZLRQLPJ-RYUDHWBXSA-N 2 0 255.362 -0.299 20 0 CBADRP O=C(N1CCC[C@H]([NH2+]CCO)C1)[C@]12C[C@H]1CCC[NH2+]2 ZINC001122094783 813115685 /nfs/dbraw/zinc/11/56/85/813115685.db2.gz PHXVSPYXRAPQGT-DYEKYZERSA-N 2 0 267.373 -0.299 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001122099693 813117215 /nfs/dbraw/zinc/11/72/15/813117215.db2.gz JEQYEBXXYIYPLI-SRVKXCTJSA-N 2 0 257.378 -0.102 20 0 CBADRP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CC[NH2+]C[C@@H]1CO ZINC001122124104 813119972 /nfs/dbraw/zinc/11/99/72/813119972.db2.gz GFNAHCLGLBJBJB-MDZLAQPJSA-N 2 0 253.346 -0.831 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001122143142 813124190 /nfs/dbraw/zinc/12/41/90/813124190.db2.gz IDINZOFMLDTHJR-VHSXEESVSA-N 2 0 253.346 -0.521 20 0 CBADRP CN(C)c1cc[nH+]c(CNC(=O)CNCC[NH3+])c1 ZINC001122151416 813124854 /nfs/dbraw/zinc/12/48/54/813124854.db2.gz SYTBJRGTLUCPDQ-UHFFFAOYSA-N 2 0 251.334 -0.688 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC12CC(C1)C[NH2+]2 ZINC001122153582 813125009 /nfs/dbraw/zinc/12/50/09/813125009.db2.gz FZBVJEDBUNECMZ-NBBOBHDQSA-N 2 0 255.318 -0.865 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)NCCN1CCC([NH3+])CC1 ZINC001122156803 813125670 /nfs/dbraw/zinc/12/56/70/813125670.db2.gz CIZFADDDHOFTPQ-NSHDSACASA-N 2 0 254.378 -0.476 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001122159301 813125848 /nfs/dbraw/zinc/12/58/48/813125848.db2.gz NXGXDEIKSZFUMX-CSMHCCOUSA-N 2 0 269.267 -0.302 20 0 CBADRP [NH3+][C@H](CC(F)F)C(=O)NCCN1CCC([NH3+])CC1 ZINC001122157790 813125955 /nfs/dbraw/zinc/12/59/55/813125955.db2.gz VQNUQOJSLFHOLE-SECBINFHSA-N 2 0 264.320 -0.492 20 0 CBADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C[C@]1(O)CCC[NH2+]C1)C2 ZINC001122161438 813126101 /nfs/dbraw/zinc/12/61/01/813126101.db2.gz IOQCCOBSKIYWEQ-YUTCNCBUSA-N 2 0 267.373 -0.169 20 0 CBADRP [NH3+][C@@H]1CC=C(C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC001122157901 813126270 /nfs/dbraw/zinc/12/62/70/813126270.db2.gz XUZPPDCMWKBMJQ-GFCCVEGCSA-N 2 0 252.362 -0.427 20 0 CBADRP C[NH2+]CCOCCNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001122168714 813127019 /nfs/dbraw/zinc/12/70/19/813127019.db2.gz SGHYTUVZGRGQDN-CYBMUJFWSA-N 2 0 284.360 -0.763 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001122171155 813127318 /nfs/dbraw/zinc/12/73/18/813127318.db2.gz CXNVLFAELANBAS-IVZWLZJFSA-N 2 0 257.334 -0.476 20 0 CBADRP [NH3+]CCc1ccc(C(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC001122172213 813127333 /nfs/dbraw/zinc/12/73/33/813127333.db2.gz UHVIIQALGSEWHE-ZDUSSCGKSA-N 2 0 263.341 -0.094 20 0 CBADRP CC(C)[NH2+]CC(=O)N1NC(=O)CC12CC[NH2+]CC2 ZINC001122180929 813128704 /nfs/dbraw/zinc/12/87/04/813128704.db2.gz FDSWITJRAHMODF-UHFFFAOYSA-N 2 0 254.334 -0.630 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(C[NH3+])cc1 ZINC001122181534 813129096 /nfs/dbraw/zinc/12/90/96/813129096.db2.gz KQVVHPKMEAGXEJ-LBPRGKRZSA-N 2 0 251.330 -0.202 20 0 CBADRP CC(C)(C[NH3+])CC(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001122189578 813130041 /nfs/dbraw/zinc/13/00/41/813130041.db2.gz IOCDVUWDGVBXLA-LBPRGKRZSA-N 2 0 254.334 -0.643 20 0 CBADRP C[C@@H](NC(=O)C1(C[NH3+])CC(O)C1)C1CC[NH2+]CC1 ZINC001122191173 813130197 /nfs/dbraw/zinc/13/01/97/813130197.db2.gz KNZWECZWOXSIMC-CBZQXFMTSA-N 2 0 255.362 -0.410 20 0 CBADRP O=C(N1NC(=O)C[C@]12CC[NH2+]C2)C12CC[NH+](CC1)C2 ZINC001122191006 813130229 /nfs/dbraw/zinc/13/02/29/813130229.db2.gz TWWDGQZMERJWEH-ZDUSSCGKSA-N 2 0 264.329 -0.922 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001122192882 813130240 /nfs/dbraw/zinc/13/02/40/813130240.db2.gz ZONMSHHEITXMMX-YNEHKIRRSA-N 2 0 266.389 -0.510 20 0 CBADRP CC(C)[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCN2C)CC[N@@H+]1C ZINC001122191654 813130457 /nfs/dbraw/zinc/13/04/57/813130457.db2.gz NHHWHXVJJUHPED-QWHCGFSZSA-N 2 0 268.405 -0.311 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[NH2+]CCC1(C)C ZINC001122191254 813130729 /nfs/dbraw/zinc/13/07/29/813130729.db2.gz VJKOFVCDYDZRNF-QWRGUYRKSA-N 2 0 257.378 -0.197 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001122192881 813130744 /nfs/dbraw/zinc/13/07/44/813130744.db2.gz ZONMSHHEITXMMX-RWMBFGLXSA-N 2 0 266.389 -0.510 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C1(C[NH3+])CC(O)C1)C2 ZINC001122204236 813132432 /nfs/dbraw/zinc/13/24/32/813132432.db2.gz YMBNPHUZGXKCEN-GIHLVWDTSA-N 2 0 253.346 -0.846 20 0 CBADRP CCN1CCO[C@H](C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC001122205357 813132461 /nfs/dbraw/zinc/13/24/61/813132461.db2.gz GWWRUVIUGOUOPA-RYUDHWBXSA-N 2 0 255.362 -0.096 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001122205295 813132560 /nfs/dbraw/zinc/13/25/60/813132560.db2.gz FLBILQGSEIHRHP-WCQYABFASA-N 2 0 255.362 -0.312 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001122203837 813133028 /nfs/dbraw/zinc/13/30/28/813133028.db2.gz SWTTYGRQIHLPHQ-MRVWCRGKSA-N 2 0 267.373 -0.108 20 0 CBADRP CCN1CCO[C@H](C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC001122205355 813133102 /nfs/dbraw/zinc/13/31/02/813133102.db2.gz GWWRUVIUGOUOPA-NEPJUHHUSA-N 2 0 255.362 -0.096 20 0 CBADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@H]1CO ZINC001122208536 813134608 /nfs/dbraw/zinc/13/46/08/813134608.db2.gz OEISBXDWRYFCSU-WGPFEIJOSA-N 2 0 253.346 -0.665 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001122241635 813136918 /nfs/dbraw/zinc/13/69/18/813136918.db2.gz QYAGTYIXSWSECW-YPMHNXCESA-N 2 0 253.346 -0.281 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001122239948 813137492 /nfs/dbraw/zinc/13/74/92/813137492.db2.gz MIJURPNEHHTLRL-GJMOJQLCSA-N 2 0 269.267 -0.302 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001122239946 813137729 /nfs/dbraw/zinc/13/77/29/813137729.db2.gz MIJURPNEHHTLRL-BWZBUEFSSA-N 2 0 269.267 -0.302 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@H]1C(F)(F)F ZINC001122239724 813137765 /nfs/dbraw/zinc/13/77/65/813137765.db2.gz JWMIIIAQVGJLHZ-PRJMDXOYSA-N 2 0 267.251 -0.677 20 0 CBADRP CC(C)(C[NH3+])C1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC001122257548 813138438 /nfs/dbraw/zinc/13/84/38/813138438.db2.gz TTWYNWYESPSPBM-UHFFFAOYSA-N 2 0 255.362 -0.456 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001122278498 813140064 /nfs/dbraw/zinc/14/00/64/813140064.db2.gz WOJSFFUCFSNADA-KGLIPLIRSA-N 2 0 298.431 -0.458 20 0 CBADRP C[C@H](Nc1cncc(N2CC[NH2+]CC2)n1)[C@@H]1C[NH2+]CCO1 ZINC001159502249 815579621 /nfs/dbraw/zinc/57/96/21/815579621.db2.gz ZDYHMOBCYVZUKX-RYUDHWBXSA-N 2 0 292.387 -0.325 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCC[C@]([NH3+])(CO)C1)[NH+](C)C ZINC001122291454 813140917 /nfs/dbraw/zinc/14/09/17/813140917.db2.gz KRKPWMKGJHWHAE-WCQYABFASA-N 2 0 257.378 -0.115 20 0 CBADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCNCC[NH2+]CC1 ZINC001122288337 813141078 /nfs/dbraw/zinc/14/10/78/813141078.db2.gz SAEOBZJBKYJPHD-AAEUAGOBSA-N 2 0 252.362 -0.993 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001122320669 813145223 /nfs/dbraw/zinc/14/52/23/813145223.db2.gz WWSGTQWDPLWUDS-LLVKDONJSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C([C@@H]1CCC[NH2+]1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001122318794 813145752 /nfs/dbraw/zinc/14/57/52/813145752.db2.gz AEJPMOBLWFHYLW-NSHDSACASA-N 2 0 253.346 -0.281 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]C[C@@H]1COC ZINC001122331223 813148214 /nfs/dbraw/zinc/14/82/14/813148214.db2.gz JXLXJOOYODFMKO-UTUOFQBUSA-N 2 0 255.362 -0.179 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC001122365078 813152722 /nfs/dbraw/zinc/15/27/22/813152722.db2.gz WYTMHMDJARKNCR-OUJBWJOFSA-N 2 0 255.362 -0.132 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC001122362810 813153080 /nfs/dbraw/zinc/15/30/80/813153080.db2.gz GUUUSGLCAGXOPK-WDEREUQCSA-N 2 0 255.362 -0.131 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC001122365075 813153132 /nfs/dbraw/zinc/15/31/32/813153132.db2.gz WYTMHMDJARKNCR-CWSCBRNRSA-N 2 0 255.362 -0.132 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001122387240 813157733 /nfs/dbraw/zinc/15/77/33/813157733.db2.gz SSYWOXSDZOENDB-LBPRGKRZSA-N 2 0 255.362 -0.036 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[C@@]12CC[NH2+]C2 ZINC001122410390 813161249 /nfs/dbraw/zinc/16/12/49/813161249.db2.gz BOAMSCTWEADHPR-YPMHNXCESA-N 2 0 253.346 -0.281 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@@]12CC[NH2+]C2 ZINC001122410400 813161299 /nfs/dbraw/zinc/16/12/99/813161299.db2.gz BSZQFMJGQQPNQK-ZDUSSCGKSA-N 2 0 252.362 -0.754 20 0 CBADRP C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1C[N@H+](C)CCN1C ZINC001122448294 813165292 /nfs/dbraw/zinc/16/52/92/813165292.db2.gz MEZGFYYOSILBMF-DDHJBXDOSA-N 2 0 254.378 -0.526 20 0 CBADRP C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1C[N@H+](C)CCN1C ZINC001122448292 813165327 /nfs/dbraw/zinc/16/53/27/813165327.db2.gz MEZGFYYOSILBMF-BJDJZHNGSA-N 2 0 254.378 -0.526 20 0 CBADRP C[C@H](NC(=O)[C@H]1CCCC[NH2+]1)[C@@H]1C[N@H+](C)CCN1C ZINC001122447570 813165517 /nfs/dbraw/zinc/16/55/17/813165517.db2.gz FSRPOXFZXQCZOH-XQQFMLRXSA-N 2 0 268.405 -0.121 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001122474669 813167813 /nfs/dbraw/zinc/16/78/13/813167813.db2.gz HGOGCOOOZWJJAT-GFCCVEGCSA-N 2 0 267.373 -0.036 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@@H]1C[NH2+]CC12CC2 ZINC001122498047 813170857 /nfs/dbraw/zinc/17/08/57/813170857.db2.gz JHSRDUIVWCRYSK-MFKMUULPSA-N 2 0 253.346 -0.641 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(S(=O)(=O)NC2CC2)cn1 ZINC001159786507 815595902 /nfs/dbraw/zinc/59/59/02/815595902.db2.gz BSBPDYLGVURANL-NSHDSACASA-N 2 0 299.400 -0.042 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N[C@H]2C[NH2+]CC23CC3)C1=O ZINC001122585357 813177687 /nfs/dbraw/zinc/17/76/87/813177687.db2.gz DFCJHBBYASOCJV-MNOVXSKESA-N 2 0 280.372 -0.948 20 0 CBADRP CN1CC(=O)Nc2cnc(N[C@H]([NH3+])CCC[NH3+])nc21 ZINC001159787575 815596401 /nfs/dbraw/zinc/59/64/01/815596401.db2.gz YJJATNRMPMQETK-QMMMGPOBSA-N 2 0 265.321 -0.700 20 0 CBADRP C[NH+](C)C1(C(=O)NCCC[NH2+][C@@H]2CCNC2=O)CCC1 ZINC001159853341 815600290 /nfs/dbraw/zinc/60/02/90/815600290.db2.gz CGDIDLMQRVOSQF-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP Cn1nnnc1C[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159845375 815600508 /nfs/dbraw/zinc/60/05/08/815600508.db2.gz ARGKCHUTCGKQAJ-UHFFFAOYSA-N 2 0 295.391 -0.710 20 0 CBADRP O=C(NCCC[NH2+]CCO)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159868308 815602732 /nfs/dbraw/zinc/60/27/32/815602732.db2.gz APZJGHLLFDZIBF-CQSZACIVSA-N 2 0 299.415 -0.282 20 0 CBADRP CCOC(=O)CN(CC[NH3+])c1ncc(C)c(C2C[NH2+]C2)n1 ZINC001159866720 815603248 /nfs/dbraw/zinc/60/32/48/815603248.db2.gz YOPYUXCXBJZBDO-UHFFFAOYSA-N 2 0 293.371 -0.200 20 0 CBADRP C[NH+](C)C[C@]1(O)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001123860983 813281832 /nfs/dbraw/zinc/28/18/32/813281832.db2.gz WGHCPPRLCAGNLY-GXTWGEPZSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@H]1CCC[NH+]1C ZINC001123938677 813297334 /nfs/dbraw/zinc/29/73/34/813297334.db2.gz HAVCGDSYTGRITF-JHJVBQTASA-N 2 0 266.389 -0.415 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@](O)(C[NH+](C)C)C1)[NH+](C)C ZINC001123952208 813299856 /nfs/dbraw/zinc/29/98/56/813299856.db2.gz CPKYDCWUIQLWFC-WCQYABFASA-N 2 0 257.378 -0.148 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001124838319 813486494 /nfs/dbraw/zinc/48/64/94/813486494.db2.gz VXKZOXUQLREQKK-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124838332 813486739 /nfs/dbraw/zinc/48/67/39/813486739.db2.gz WCTPJJSBAKTICR-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001124867016 813488920 /nfs/dbraw/zinc/48/89/20/813488920.db2.gz PZUKSCVJTUYLIW-KBPBESRZSA-N 2 0 299.415 -0.018 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001124866772 813488945 /nfs/dbraw/zinc/48/89/45/813488945.db2.gz KNGWCORGEPCMNN-QWRGUYRKSA-N 2 0 268.361 -0.983 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001124866771 813489539 /nfs/dbraw/zinc/48/95/39/813489539.db2.gz KNGWCORGEPCMNN-MNOVXSKESA-N 2 0 268.361 -0.983 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124867484 813491774 /nfs/dbraw/zinc/49/17/74/813491774.db2.gz WIQSMNXSHJVVBA-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)nn1 ZINC001124872428 813492097 /nfs/dbraw/zinc/49/20/97/813492097.db2.gz FTMKWYPFKBUHJM-LBPRGKRZSA-N 2 0 293.371 -0.215 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001124867681 813492712 /nfs/dbraw/zinc/49/27/12/813492712.db2.gz XWEZQOXXTGTCHA-QWHCGFSZSA-N 2 0 295.387 -0.956 20 0 CBADRP CN1CCC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001124878046 813493475 /nfs/dbraw/zinc/49/34/75/813493475.db2.gz KRZZTWXZWZVBID-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001124879471 813494425 /nfs/dbraw/zinc/49/44/25/813494425.db2.gz UQCIUTAVCDJXEI-CHWSQXEVSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(N)=O ZINC001127082500 813711521 /nfs/dbraw/zinc/71/15/21/813711521.db2.gz SHHBNHDEFGCWBW-NEPJUHHUSA-N 2 0 284.404 -0.171 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127260227 813721236 /nfs/dbraw/zinc/72/12/36/813721236.db2.gz AABUTXNJRFNSDL-NWDGAFQWSA-N 2 0 255.362 -0.441 20 0 CBADRP O=C(NCC[NH2+]CCOCCO)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256767 813722008 /nfs/dbraw/zinc/72/20/08/813722008.db2.gz RQAGTIAANCGMEU-UONOGXRCSA-N 2 0 299.415 -0.425 20 0 CBADRP O=C(NCC[NH2+]CCCO)[C@H]1C[NH+]2CCC1CC2 ZINC001127466449 813731823 /nfs/dbraw/zinc/73/18/23/813731823.db2.gz IKQLGDSOUMXNGS-LBPRGKRZSA-N 2 0 255.362 -0.584 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475588 813732939 /nfs/dbraw/zinc/73/29/39/813732939.db2.gz WDNBRDKVHOGBPK-LBPRGKRZSA-N 2 0 282.388 -0.830 20 0 CBADRP O=C(NCC[NH2+][C@@H]1CCCNC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481090 813733544 /nfs/dbraw/zinc/73/35/44/813733544.db2.gz PFGBZORJSQFWQP-CHWSQXEVSA-N 2 0 294.399 -0.687 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127481429 813734296 /nfs/dbraw/zinc/73/42/96/813734296.db2.gz UBRHOTZUDGWMRQ-OLZOCXBDSA-N 2 0 285.388 -0.959 20 0 CBADRP COCCC[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127558131 813735074 /nfs/dbraw/zinc/73/50/74/813735074.db2.gz DYNVNTSLTZLFEU-UHFFFAOYSA-N 2 0 297.403 -0.199 20 0 CBADRP CCOCC[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127562123 813735096 /nfs/dbraw/zinc/73/50/96/813735096.db2.gz DCSXECPIKZLGOX-UHFFFAOYSA-N 2 0 297.403 -0.199 20 0 CBADRP CO[C@@H](C)C[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127558117 813735513 /nfs/dbraw/zinc/73/55/13/813735513.db2.gz DIUJNKMKCAFXIX-LBPRGKRZSA-N 2 0 297.403 -0.201 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127638803 813739068 /nfs/dbraw/zinc/73/90/68/813739068.db2.gz QSHWBENUGYZTCG-IJLUTSLNSA-N 2 0 273.377 -0.960 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643796 813739178 /nfs/dbraw/zinc/73/91/78/813739178.db2.gz LNHPPYNOOLCAQC-CHWSQXEVSA-N 2 0 298.431 -0.195 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643939 813739730 /nfs/dbraw/zinc/73/97/30/813739730.db2.gz RTBWGXKWOBRFGL-HBNTYKKESA-N 2 0 270.377 -0.833 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659453 813740747 /nfs/dbraw/zinc/74/07/47/813740747.db2.gz BCFLVJWFFNRJBG-JHJVBQTASA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@H](O)COC)CC[N@@H+]1C ZINC001127701257 813740824 /nfs/dbraw/zinc/74/08/24/813740824.db2.gz LWOQZRLSYGFFGV-RWMBFGLXSA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2cnn(C)c2)CC[N@@H+]1C ZINC001127685112 813741940 /nfs/dbraw/zinc/74/19/40/813741940.db2.gz CYBRGJZCYHBFQB-DGCLKSJQSA-N 2 0 279.388 -0.034 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCC2)CC[N@@H+]1C ZINC001127691008 813742025 /nfs/dbraw/zinc/74/20/25/813742025.db2.gz XBHQTPHWOOJEIR-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)CC[N@@H+]1C ZINC001127701700 813742153 /nfs/dbraw/zinc/74/21/53/813742153.db2.gz WNPORHGXFZSDBO-GARJFASQSA-N 2 0 270.377 -0.704 20 0 CBADRP CC(C)OCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127760322 813747526 /nfs/dbraw/zinc/74/75/26/813747526.db2.gz JEGHPCWXODIPLX-UONOGXRCSA-N 2 0 299.415 -0.020 20 0 CBADRP CCOCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127784758 813749457 /nfs/dbraw/zinc/74/94/57/813749457.db2.gz BDOCGKPHKPDWOC-KBPBESRZSA-N 2 0 299.415 -0.018 20 0 CBADRP CCOCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127784760 813749558 /nfs/dbraw/zinc/74/95/58/813749558.db2.gz BDOCGKPHKPDWOC-KGLIPLIRSA-N 2 0 299.415 -0.018 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]C[C@H](O)COC ZINC001128533118 813780369 /nfs/dbraw/zinc/78/03/69/813780369.db2.gz GZQACPCZRKAZOV-NWDGAFQWSA-N 2 0 293.383 -0.621 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CCCO ZINC001128540223 813781344 /nfs/dbraw/zinc/78/13/44/813781344.db2.gz SIHYYPRBXSBVNG-NSHDSACASA-N 2 0 263.357 -0.246 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001128786128 813798900 /nfs/dbraw/zinc/79/89/00/813798900.db2.gz RTDFJCBUKPRIDG-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H](CC)C(N)=O ZINC001128784103 813799355 /nfs/dbraw/zinc/79/93/55/813799355.db2.gz LDSLVGUGCSQKOD-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129328160 813836325 /nfs/dbraw/zinc/83/63/25/813836325.db2.gz MFXDGONJKPNDBG-OLZOCXBDSA-N 2 0 298.431 -0.195 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC(=O)NCC1CC1)C1CC1 ZINC001129436081 813841299 /nfs/dbraw/zinc/84/12/99/813841299.db2.gz MHXRBALTYPGOPD-CQSZACIVSA-N 2 0 296.415 -0.441 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435295 813841418 /nfs/dbraw/zinc/84/14/18/813841418.db2.gz DWSKJJLJTUBJSE-CQSZACIVSA-N 2 0 298.431 -0.101 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC(=O)NC(C)(C)C)C1CC1 ZINC001129436085 813841612 /nfs/dbraw/zinc/84/16/12/813841612.db2.gz MKPCPXDESHSVPP-CYBMUJFWSA-N 2 0 298.431 -0.053 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129436953 813841804 /nfs/dbraw/zinc/84/18/04/813841804.db2.gz UANJWBUJSTTWHN-CYBMUJFWSA-N 2 0 284.404 -0.489 20 0 CBADRP CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129437072 813841971 /nfs/dbraw/zinc/84/19/71/813841971.db2.gz VTCJFLNSWFERRT-CQSZACIVSA-N 2 0 298.431 -0.051 20 0 CBADRP CN1CCC[C@@H]([NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1=O ZINC001129435909 813842211 /nfs/dbraw/zinc/84/22/11/813842211.db2.gz JWXCZUYXDVBCNL-OLZOCXBDSA-N 2 0 296.415 -0.347 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435154 813842590 /nfs/dbraw/zinc/84/25/90/813842590.db2.gz CFYQAOBXUUCCKB-CYBMUJFWSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129436717 813843283 /nfs/dbraw/zinc/84/32/83/813843283.db2.gz RUQKKJCBZVYMRR-RISCZKNCSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129423359 813844113 /nfs/dbraw/zinc/84/41/13/813844113.db2.gz SYQBKUSNXPEWFA-CYBMUJFWSA-N 2 0 296.415 -0.155 20 0 CBADRP Cn1cncc1C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129437205 813844380 /nfs/dbraw/zinc/84/43/80/813844380.db2.gz XRCSYEPVTJYAFO-ZDUSSCGKSA-N 2 0 279.388 -0.034 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CCN1CCNC1=O)C1CC1 ZINC001129442693 813845375 /nfs/dbraw/zinc/84/53/75/813845375.db2.gz CZXYFEHZNFQGES-GFCCVEGCSA-N 2 0 297.403 -0.942 20 0 CBADRP CN(C(=O)C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001129526739 813848683 /nfs/dbraw/zinc/84/86/83/813848683.db2.gz PXASNYGJMYDUPI-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001129531961 813849128 /nfs/dbraw/zinc/84/91/28/813849128.db2.gz NUSGHINTIQKNHT-VIFPVBQESA-N 2 0 256.350 -0.950 20 0 CBADRP C[N@H+](CC(=O)NCC[NH2+]CCN1CCCC1=O)C1CCC1 ZINC001129535467 813850652 /nfs/dbraw/zinc/85/06/52/813850652.db2.gz SUYCAHSCRPALMT-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001129535247 813850884 /nfs/dbraw/zinc/85/08/84/813850884.db2.gz MJCNFMJCMZFNPI-GFCCVEGCSA-N 2 0 282.388 -0.593 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129532375 813850995 /nfs/dbraw/zinc/85/09/95/813850995.db2.gz ZKIWWIQOWHAIRJ-GFCCVEGCSA-N 2 0 273.377 -0.816 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001129842003 813871338 /nfs/dbraw/zinc/87/13/38/813871338.db2.gz RQMVWRRMWNOHMJ-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CCN1CCCC1=O)[NH+](C)C ZINC001129950450 813881552 /nfs/dbraw/zinc/88/15/52/813881552.db2.gz USEDFNDOFQYHAA-AWEZNQCLSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)NC1CC1)[NH+](C)C ZINC001129947445 813881678 /nfs/dbraw/zinc/88/16/78/813881678.db2.gz ZVVQQUVNYWFYQO-ZDUSSCGKSA-N 2 0 284.404 -0.443 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001129947012 813882221 /nfs/dbraw/zinc/88/22/21/813882221.db2.gz FJFWDDSSMSQOLG-LBPRGKRZSA-N 2 0 272.393 -0.633 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1=O ZINC001129949664 813883211 /nfs/dbraw/zinc/88/32/11/813883211.db2.gz HGZTZCVDERFAEJ-STQMWFEESA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001129947365 813883387 /nfs/dbraw/zinc/88/33/87/813883387.db2.gz WXBPKMBCELYUKV-QWRGUYRKSA-N 2 0 270.377 -0.833 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001129947017 813883437 /nfs/dbraw/zinc/88/34/37/813883437.db2.gz FTBQRTJZCMUOJP-UWVGGRQHSA-N 2 0 258.366 -0.848 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130186288 813915915 /nfs/dbraw/zinc/91/59/15/813915915.db2.gz FCYCBGGTARPQLU-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)N(C)CC)[NH+](C)C ZINC001130197792 813916645 /nfs/dbraw/zinc/91/66/45/813916645.db2.gz PRBUWGJCUQKPFS-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+][C@H]1CCN(CC)C1=O)[NH+](C)C ZINC001130203413 813918424 /nfs/dbraw/zinc/91/84/24/813918424.db2.gz KQWPKKXJGJPOAX-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C ZINC001130205438 813919015 /nfs/dbraw/zinc/91/90/15/813919015.db2.gz LJHMLWGSWSWXTB-WDEREUQCSA-N 2 0 270.377 -0.737 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001130296882 813921776 /nfs/dbraw/zinc/92/17/76/813921776.db2.gz DDBDFASEZHBJCL-MNOVXSKESA-N 2 0 268.361 -0.935 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1=O ZINC001130304021 813923881 /nfs/dbraw/zinc/92/38/81/813923881.db2.gz QLWZOJSXTNWFQR-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1=O ZINC001130304023 813924046 /nfs/dbraw/zinc/92/40/46/813924046.db2.gz QLWZOJSXTNWFQR-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001130300236 813924357 /nfs/dbraw/zinc/92/43/57/813924357.db2.gz KLLGFBIPEOMCSG-GFCCVEGCSA-N 2 0 297.403 -0.798 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(N)=O ZINC001130300853 813924701 /nfs/dbraw/zinc/92/47/01/813924701.db2.gz WHUMYMJPNOEBCT-NXEZZACHSA-N 2 0 256.350 -0.950 20 0 CBADRP CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001130297387 813925527 /nfs/dbraw/zinc/92/55/27/813925527.db2.gz LPGZRVXGKCIHFI-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC001130300845 813925911 /nfs/dbraw/zinc/92/59/11/813925911.db2.gz WCYGIUYILZLXDP-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)NC1CC1 ZINC001130306061 813926480 /nfs/dbraw/zinc/92/64/80/813926480.db2.gz QIHYFHRLLCCUFN-YPMHNXCESA-N 2 0 296.415 -0.156 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001130428014 813939418 /nfs/dbraw/zinc/93/94/18/813939418.db2.gz YTMNKNZSMUBGBS-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001130427355 813939467 /nfs/dbraw/zinc/93/94/67/813939467.db2.gz MSWBJEDPCVZUSQ-SNVBAGLBSA-N 2 0 272.393 -0.443 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130808912 813983333 /nfs/dbraw/zinc/98/33/33/813983333.db2.gz XPBCADYHMBQYGM-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001130810323 813983372 /nfs/dbraw/zinc/98/33/72/813983372.db2.gz RFFXKPMURJIZEC-GFCCVEGCSA-N 2 0 294.399 -0.449 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C12CCC[NH+]1CCC2)C(=O)N(C)C ZINC001130810303 813983687 /nfs/dbraw/zinc/98/36/87/813983687.db2.gz QESWBSCLLAVSSZ-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130808835 813984230 /nfs/dbraw/zinc/98/42/30/813984230.db2.gz UBSBTFGLIPCYAI-UHFFFAOYSA-N 2 0 299.415 -0.016 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130867967 813989447 /nfs/dbraw/zinc/98/94/47/813989447.db2.gz UEEKFQFPXIUMBD-UHFFFAOYSA-N 2 0 289.339 -0.258 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131370961 814024110 /nfs/dbraw/zinc/02/41/10/814024110.db2.gz YTIMQODMDLWXIW-UHFFFAOYSA-N 2 0 289.339 -0.258 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1)C(N)=O ZINC001131372856 814024542 /nfs/dbraw/zinc/02/45/42/814024542.db2.gz ULTRSJWKFUNGJP-VIFPVBQESA-N 2 0 275.312 -0.473 20 0 CBADRP O=C(NCC[NH2+]CCF)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520498 814037132 /nfs/dbraw/zinc/03/71/32/814037132.db2.gz ZRQWGKTVDPFABC-AKJDGMEZSA-N 2 0 271.336 -0.475 20 0 CBADRP CO[C@H](C)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520235 814038563 /nfs/dbraw/zinc/03/85/63/814038563.db2.gz VOGAGUHAPIEIMD-UQJCBBSYSA-N 2 0 297.399 -0.410 20 0 CBADRP O=C(NCC[NH2+]CC1CC1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519624 814038710 /nfs/dbraw/zinc/03/87/10/814038710.db2.gz HXFPCVSCQAEZKH-JVWICGRDSA-N 2 0 279.384 -0.035 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131786619 814069096 /nfs/dbraw/zinc/06/90/96/814069096.db2.gz YTZJVKNLTYBSDS-CYBMUJFWSA-N 2 0 282.388 -0.687 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790044 814069875 /nfs/dbraw/zinc/06/98/75/814069875.db2.gz DRUZTIDJMVHSRU-LBPRGKRZSA-N 2 0 255.362 -0.441 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790000 814069950 /nfs/dbraw/zinc/06/99/50/814069950.db2.gz CRIFXVBPPGBOLI-KGLIPLIRSA-N 2 0 299.415 -0.426 20 0 CBADRP C[NH+](C)C1(CC(=O)NCC[NH2+][C@@H]2CCNC2=O)CCCC1 ZINC001131836900 814073343 /nfs/dbraw/zinc/07/33/43/814073343.db2.gz GEXNOGCCOOYIMQ-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001132287025 814122442 /nfs/dbraw/zinc/12/24/42/814122442.db2.gz RXYBEOMJCDRZES-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCOC2)C1 ZINC001132848848 814193838 /nfs/dbraw/zinc/19/38/38/814193838.db2.gz UHDWIFPKDXDNGA-KBPBESRZSA-N 2 0 299.415 -0.162 20 0 CBADRP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](C)O)C1 ZINC001132848350 814194135 /nfs/dbraw/zinc/19/41/35/814194135.db2.gz GBYSEKSPLNQVMZ-NWDGAFQWSA-N 2 0 273.377 -0.818 20 0 CBADRP CN1CCC[C@H]([NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001132992528 814205333 /nfs/dbraw/zinc/20/53/33/814205333.db2.gz AUOIBVUOFIPDQL-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001132995506 814206839 /nfs/dbraw/zinc/20/68/39/814206839.db2.gz VYLDWSWPGSLVBK-SNVBAGLBSA-N 2 0 270.377 -0.702 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132992817 814206923 /nfs/dbraw/zinc/20/69/23/814206923.db2.gz GKQMVDKQFQCKRN-UHFFFAOYSA-N 2 0 270.377 -0.830 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993418 814207037 /nfs/dbraw/zinc/20/70/37/814207037.db2.gz SVWCFLJWQHWBDB-LLVKDONJSA-N 2 0 273.377 -0.959 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132995569 814207488 /nfs/dbraw/zinc/20/74/88/814207488.db2.gz YTVBRHHFHBKIHO-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132992855 814207653 /nfs/dbraw/zinc/20/76/53/814207653.db2.gz HBACDYRLVDFFMM-UHFFFAOYSA-N 2 0 287.404 -0.303 20 0 CBADRP C[NH+](C)CCCC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001133040115 814210838 /nfs/dbraw/zinc/21/08/38/814210838.db2.gz BSVCNWWOTUSPDE-UHFFFAOYSA-N 2 0 279.406 -0.921 20 0 CBADRP CCCCNC(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040461 814211445 /nfs/dbraw/zinc/21/14/45/814211445.db2.gz RXIUDZLCGHDCBK-UHFFFAOYSA-N 2 0 286.420 -0.050 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040394 814211620 /nfs/dbraw/zinc/21/16/20/814211620.db2.gz PBEPABPSBNHPEJ-UHFFFAOYSA-N 2 0 275.393 -0.303 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040426 814211756 /nfs/dbraw/zinc/21/17/56/814211756.db2.gz QKKDBLRFVGRYBA-UHFFFAOYSA-N 2 0 272.393 -0.488 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001133051507 814211809 /nfs/dbraw/zinc/21/18/09/814211809.db2.gz HKKNFZHNFFBTBV-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)CCC[NH+](C)C)C1=O ZINC001133051259 814212190 /nfs/dbraw/zinc/21/21/90/814212190.db2.gz BSEFXKPARVZLGR-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP C[NH+](C)CCCC(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001133040346 814212215 /nfs/dbraw/zinc/21/22/15/814212215.db2.gz MKIGSCKNOOXWAX-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP CN(C(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C)C1CC1 ZINC001133040576 814213019 /nfs/dbraw/zinc/21/30/19/814213019.db2.gz XNNOJFFIIPVREM-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001133073600 814213765 /nfs/dbraw/zinc/21/37/65/814213765.db2.gz WGOKVSROEDIBAD-QWHCGFSZSA-N 2 0 298.431 -0.112 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133092269 814215739 /nfs/dbraw/zinc/21/57/39/814215739.db2.gz ZZKPPHMNSGJTDY-QWHCGFSZSA-N 2 0 298.431 -0.242 20 0 CBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CCNC(=O)C2CC2)CC1 ZINC001133281798 814235109 /nfs/dbraw/zinc/23/51/09/814235109.db2.gz MTAYDSDELHXKLZ-UHFFFAOYSA-N 2 0 296.415 -0.440 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285920 814235132 /nfs/dbraw/zinc/23/51/32/814235132.db2.gz OJUXDVBRBRPEIY-UHFFFAOYSA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001133290765 814235257 /nfs/dbraw/zinc/23/52/57/814235257.db2.gz AXGFZRJRBFOJMS-UHFFFAOYSA-N 2 0 279.406 -0.921 20 0 CBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)N2CCCC2)CC1 ZINC001133286005 814235538 /nfs/dbraw/zinc/23/55/38/814235538.db2.gz SDGASXWNECTUFV-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285656 814235631 /nfs/dbraw/zinc/23/56/31/814235631.db2.gz BTCIWHICNSHAOH-UHFFFAOYSA-N 2 0 294.403 -0.154 20 0 CBADRP Cc1cc(C[NH2+]CCNC(=O)CC[NH+](C)C)ncn1 ZINC001133288467 814235703 /nfs/dbraw/zinc/23/57/03/814235703.db2.gz XEMLKAXEGHDWBO-UHFFFAOYSA-N 2 0 265.361 -0.057 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NCC(C)(C)C ZINC001133286991 814236321 /nfs/dbraw/zinc/23/63/21/814236321.db2.gz BELUHWRFKONBSV-UHFFFAOYSA-N 2 0 286.420 -0.194 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)CC[NH+](C)C)C1=O ZINC001133288520 814236340 /nfs/dbraw/zinc/23/63/40/814236340.db2.gz YTBFEJDHYOMGGV-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1=O ZINC001133418983 814252362 /nfs/dbraw/zinc/25/23/62/814252362.db2.gz HGZTZCVDERFAEJ-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+]CCn1cncn1)[NH+](C)C ZINC001133434011 814254150 /nfs/dbraw/zinc/25/41/50/814254150.db2.gz HGTGZSYYZMPVNJ-GFCCVEGCSA-N 2 0 282.392 -0.430 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133684095 814287197 /nfs/dbraw/zinc/28/71/97/814287197.db2.gz CSQFKCORJVQKKI-LBPRGKRZSA-N 2 0 286.420 -0.051 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001133833885 814301193 /nfs/dbraw/zinc/30/11/93/814301193.db2.gz ISEBQFAQWVKIOG-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001133830748 814301780 /nfs/dbraw/zinc/30/17/80/814301780.db2.gz DFCFIHGCUASHNN-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@@H+]2CCC[C@@H]2C)C1=O ZINC001133823476 814301883 /nfs/dbraw/zinc/30/18/83/814301883.db2.gz HKGCCEXWLDGSRH-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133831945 814302309 /nfs/dbraw/zinc/30/23/09/814302309.db2.gz YHQSAQUAQGXRNH-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001133820150 814303044 /nfs/dbraw/zinc/30/30/44/814303044.db2.gz ZXJLJMKQMLMVSX-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133831944 814303446 /nfs/dbraw/zinc/30/34/46/814303446.db2.gz YHQSAQUAQGXRNH-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133849831 814307004 /nfs/dbraw/zinc/30/70/04/814307004.db2.gz FCXIJIQPLFXSLX-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CCCCNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845430 814307251 /nfs/dbraw/zinc/30/72/51/814307251.db2.gz FTYDBSZQDPCZKM-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001133850373 814308251 /nfs/dbraw/zinc/30/82/51/814308251.db2.gz LOSWSKMPENXIKV-CYBMUJFWSA-N 2 0 296.415 -0.344 20 0 CBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133846295 814308501 /nfs/dbraw/zinc/30/85/01/814308501.db2.gz YECCYPKNSVKIPQ-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2ccnn2C)C1 ZINC001133854135 814309910 /nfs/dbraw/zinc/30/99/10/814309910.db2.gz YMNLHUWSXFQZFQ-LBPRGKRZSA-N 2 0 279.388 -0.032 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001133863212 814310903 /nfs/dbraw/zinc/31/09/03/814310903.db2.gz KIEVYTZEPVEJRB-RYUDHWBXSA-N 2 0 280.376 -0.818 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001133863958 814314156 /nfs/dbraw/zinc/31/41/56/814314156.db2.gz RZWPPHYRBIFTCB-DGCLKSJQSA-N 2 0 296.415 -0.584 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001133869713 814316679 /nfs/dbraw/zinc/31/66/79/814316679.db2.gz JYGWSQFBPOWYGF-JQWIXIFHSA-N 2 0 282.388 -0.832 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133869732 814317396 /nfs/dbraw/zinc/31/73/96/814317396.db2.gz KEXOPWFDJKLNRY-AAEUAGOBSA-N 2 0 294.403 -0.299 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001133869712 814318934 /nfs/dbraw/zinc/31/89/34/814318934.db2.gz JYGWSQFBPOWYGF-CMPLNLGQSA-N 2 0 282.388 -0.832 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]CCn2cncn2)C1 ZINC001133896671 814319998 /nfs/dbraw/zinc/31/99/98/814319998.db2.gz NWKZIHDLARLTQO-UHFFFAOYSA-N 2 0 294.403 -0.284 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133899289 814320990 /nfs/dbraw/zinc/32/09/90/814320990.db2.gz BIEJCWFFANOHIT-UHFFFAOYSA-N 2 0 272.393 -0.584 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001133894002 814321178 /nfs/dbraw/zinc/32/11/78/814321178.db2.gz RRXGXDZSHALQNC-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP C[N@H+](CCc1ccccc1)CC(=O)NCC[NH2+]CC(N)=O ZINC001133917965 814324324 /nfs/dbraw/zinc/32/43/24/814324324.db2.gz NXLDRYDPJRHCAN-UHFFFAOYSA-N 2 0 292.383 -0.648 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001133965683 814330562 /nfs/dbraw/zinc/33/05/62/814330562.db2.gz DXUAXONQZCTOGT-QWRGUYRKSA-N 2 0 272.393 -0.491 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1)[NH+](C)C ZINC001133968239 814330786 /nfs/dbraw/zinc/33/07/86/814330786.db2.gz SLZAXURYEGMLPW-JQWIXIFHSA-N 2 0 284.404 -0.301 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CCN1CCCC1=O)[NH+](C)C ZINC001133965606 814331147 /nfs/dbraw/zinc/33/11/47/814331147.db2.gz AXGJRHVDXRSOJL-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC)[NH+](C)C ZINC001133966201 814331290 /nfs/dbraw/zinc/33/12/90/814331290.db2.gz XGASLICBBWZNQT-ZJUUUORDSA-N 2 0 258.366 -0.833 20 0 CBADRP COCC[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134021157 814340001 /nfs/dbraw/zinc/34/00/01/814340001.db2.gz SPJPUYHGGFLVTE-ZDUSSCGKSA-N 2 0 287.404 -0.161 20 0 CBADRP C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001134613064 814400320 /nfs/dbraw/zinc/40/03/20/814400320.db2.gz RWMVQNPKAJSHIB-QWRGUYRKSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H](C(=O)NCC[NH2+]CC(N)=O)[NH+]1CCCCCC1 ZINC001134758116 814410943 /nfs/dbraw/zinc/41/09/43/814410943.db2.gz WKKZJBPFUPAICQ-NSHDSACASA-N 2 0 270.377 -0.558 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001134762775 814411367 /nfs/dbraw/zinc/41/13/67/814411367.db2.gz GCTVELXUCISBFJ-CHWSQXEVSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)[NH+]1CCCCCC1 ZINC001134756445 814411827 /nfs/dbraw/zinc/41/18/27/814411827.db2.gz FBSDQTHRCDPRRJ-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001134857545 814419978 /nfs/dbraw/zinc/41/99/78/814419978.db2.gz FBUPTQGERZCIHN-NWDGAFQWSA-N 2 0 296.415 -0.027 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135095230 814437420 /nfs/dbraw/zinc/43/74/20/814437420.db2.gz BIXJDKPBISYWQE-MNOVXSKESA-N 2 0 268.361 -0.806 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135095231 814437462 /nfs/dbraw/zinc/43/74/62/814437462.db2.gz BIXJDKPBISYWQE-QWRGUYRKSA-N 2 0 268.361 -0.806 20 0 CBADRP CCOCC[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135118454 814439059 /nfs/dbraw/zinc/43/90/59/814439059.db2.gz NQPXPAFJQGWFAS-UHFFFAOYSA-N 2 0 297.403 -0.199 20 0 CBADRP C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)CCC[NH+](C)C ZINC001135314391 814459700 /nfs/dbraw/zinc/45/97/00/814459700.db2.gz ABTHSASARUFWOX-GHMZBOCLSA-N 2 0 272.393 -0.314 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135309608 814461083 /nfs/dbraw/zinc/46/10/83/814461083.db2.gz ZRWKEHLDUNKDKM-NEPJUHHUSA-N 2 0 286.420 -0.053 20 0 CBADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001159917507 815605045 /nfs/dbraw/zinc/60/50/45/815605045.db2.gz XYGOLOXAXIOGBT-NEPJUHHUSA-N 2 0 282.388 -0.689 20 0 CBADRP C[N@H+](CC(=O)NCCC[NH2+][C@@H]1CCNC1=O)C1CCC1 ZINC001159997109 815606090 /nfs/dbraw/zinc/60/60/90/815606090.db2.gz GQIUXGNSKOQXAX-GFCCVEGCSA-N 2 0 282.388 -0.545 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135375732 814470936 /nfs/dbraw/zinc/47/09/36/814470936.db2.gz NQXBFRSALUSPRV-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CCCO)C1CC1 ZINC001159931612 815606496 /nfs/dbraw/zinc/60/64/96/815606496.db2.gz GULHJZJHKQAFFJ-GFCCVEGCSA-N 2 0 257.378 -0.195 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CCn1cncn1)C1CC1 ZINC001159932964 815606555 /nfs/dbraw/zinc/60/65/55/815606555.db2.gz WXBNCSYLAQMNMU-CYBMUJFWSA-N 2 0 294.403 -0.286 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135375734 814472640 /nfs/dbraw/zinc/47/26/40/814472640.db2.gz NQXBFRSALUSPRV-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CC[NH2+]1 ZINC001159929528 815606833 /nfs/dbraw/zinc/60/68/33/815606833.db2.gz GKFZACYUFCEFHM-RWMBFGLXSA-N 2 0 266.389 -0.415 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001135507883 814478999 /nfs/dbraw/zinc/47/89/99/814478999.db2.gz APAKIPKEQJGQMI-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001135508599 814479246 /nfs/dbraw/zinc/47/92/46/814479246.db2.gz SMFCBPWGAQUSQV-UHFFFAOYSA-N 2 0 286.420 -0.051 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1cnnn1C ZINC001135508606 814479632 /nfs/dbraw/zinc/47/96/32/814479632.db2.gz SSTGVEOLDNEFOG-UHFFFAOYSA-N 2 0 268.365 -0.637 20 0 CBADRP CN1CC[C@@H]([NH2+]CCCNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001160003502 815607991 /nfs/dbraw/zinc/60/79/91/815607991.db2.gz RPJRQGAGKPORFS-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CCOCCOC ZINC001135511704 814480630 /nfs/dbraw/zinc/48/06/30/814480630.db2.gz ZQGGRSHMCSHYEM-UHFFFAOYSA-N 2 0 275.393 -0.303 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135511076 814480744 /nfs/dbraw/zinc/48/07/44/814480744.db2.gz JGRHNYHNHIQJSX-UHFFFAOYSA-N 2 0 286.420 -0.098 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001135510903 814480822 /nfs/dbraw/zinc/48/08/22/814480822.db2.gz IAHWEAIANLNZIS-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)C[NH+](CC)CC)C1=O ZINC001135510805 814480910 /nfs/dbraw/zinc/48/09/10/814480910.db2.gz FTLGSGABVCEPLZ-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135511367 814480971 /nfs/dbraw/zinc/48/09/71/814480971.db2.gz OXUCGHOTDBGBJY-GFCCVEGCSA-N 2 0 286.420 -0.051 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)N(C)C(C)C ZINC001135511218 814482049 /nfs/dbraw/zinc/48/20/49/814482049.db2.gz MMFHQFKPYXWJBZ-UHFFFAOYSA-N 2 0 286.420 -0.099 20 0 CBADRP CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]21 ZINC001160092918 815610429 /nfs/dbraw/zinc/61/04/29/815610429.db2.gz AMBJTVGJXPTNBF-QNWHQSFQSA-N 2 0 296.415 -0.328 20 0 CBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160157486 815611433 /nfs/dbraw/zinc/61/14/33/815611433.db2.gz WYZYMXFGPOKRSG-OYQDBORRSA-N 2 0 291.395 -0.227 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001160268284 815614408 /nfs/dbraw/zinc/61/44/08/815614408.db2.gz YQLQSPBKUPPCHL-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C[NH+]1CCC(C)CC1)C(=O)N(C)C ZINC001135703107 814511640 /nfs/dbraw/zinc/51/16/40/814511640.db2.gz WTPJPPLIEKXGJI-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C(C)(C)C ZINC001160427226 815619144 /nfs/dbraw/zinc/61/91/44/815619144.db2.gz KSNUVDBWKZDARK-LLVKDONJSA-N 2 0 256.394 -0.006 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001135861671 814534112 /nfs/dbraw/zinc/53/41/12/814534112.db2.gz VGSGFVQDDSWIDS-MNOVXSKESA-N 2 0 272.393 -0.314 20 0 CBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1nncn1C)[NH+](C)C ZINC001160420983 815619731 /nfs/dbraw/zinc/61/97/31/815619731.db2.gz NJQVUKIGRHRWEL-ZDUSSCGKSA-N 2 0 296.419 -0.003 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938666 814538689 /nfs/dbraw/zinc/53/86/89/814538689.db2.gz MRZAESBOGHZADA-NEPJUHHUSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938667 814539616 /nfs/dbraw/zinc/53/96/16/814539616.db2.gz MRZAESBOGHZADA-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](C[C@H](C)[NH2+]CCO)NC(=O)COCC[NH+](C)C ZINC001135928541 814539808 /nfs/dbraw/zinc/53/98/08/814539808.db2.gz XZFDVYNLXBTOOK-NWDGAFQWSA-N 2 0 275.393 -0.570 20 0 CBADRP COC[C@H](C)[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135963654 814541334 /nfs/dbraw/zinc/54/13/34/814541334.db2.gz XMVDREPRIVLOFQ-LBPRGKRZSA-N 2 0 287.404 -0.162 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959948 814541439 /nfs/dbraw/zinc/54/14/39/814541439.db2.gz WUYKOQHABSVQJR-LLVKDONJSA-N 2 0 273.377 -0.816 20 0 CBADRP COCCC[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135958569 814541740 /nfs/dbraw/zinc/54/17/40/814541740.db2.gz CZBLPIIRRXMKSR-UHFFFAOYSA-N 2 0 287.404 -0.161 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCN1CC2(COC2)C1 ZINC001142590067 814720449 /nfs/dbraw/zinc/72/04/49/814720449.db2.gz DAXDBFLJNYWOJJ-UHFFFAOYSA-N 2 0 255.362 -0.225 20 0 CBADRP N=c1cc(C[NH3+])ncn1C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001142632252 814725495 /nfs/dbraw/zinc/72/54/95/814725495.db2.gz BSWONTDDWFWHDH-NSHDSACASA-N 2 0 261.329 -0.054 20 0 CBADRP CN1CC[NH+](CCC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC001143236424 814764701 /nfs/dbraw/zinc/76/47/01/814764701.db2.gz FYKDNUSSLRAOMM-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CN1CCCC1=O ZINC001143254271 814766992 /nfs/dbraw/zinc/76/69/92/814766992.db2.gz LACVICHMDCLBTR-UHFFFAOYSA-N 2 0 283.376 -0.327 20 0 CBADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC2(C[NH3+])COC2)c1 ZINC001144942547 814779030 /nfs/dbraw/zinc/77/90/30/814779030.db2.gz IAELHXVKSUTNCC-GFCCVEGCSA-N 2 0 279.340 -0.591 20 0 CBADRP CC(C)[NH+]1CCC(C(=O)NCC[NH2+]CC(N)=O)CC1 ZINC001146383110 814837612 /nfs/dbraw/zinc/83/76/12/814837612.db2.gz CNAWZNGNWMBYQQ-UHFFFAOYSA-N 2 0 270.377 -0.702 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146595037 814841479 /nfs/dbraw/zinc/84/14/79/814841479.db2.gz WORPSIKWQBGMCP-NWDGAFQWSA-N 2 0 286.420 -0.055 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146595067 814841513 /nfs/dbraw/zinc/84/15/13/814841513.db2.gz WORPSIKWQBGMCP-VXGBXAGGSA-N 2 0 286.420 -0.055 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146705839 814843822 /nfs/dbraw/zinc/84/38/22/814843822.db2.gz VHZWLTNKSQBYJI-UHFFFAOYSA-N 2 0 272.393 -0.440 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001146710236 814843983 /nfs/dbraw/zinc/84/39/83/814843983.db2.gz GXAYQZKRVJLRNG-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146719601 814845535 /nfs/dbraw/zinc/84/55/35/814845535.db2.gz RDXOLCWHIMXVGM-UHFFFAOYSA-N 2 0 286.420 -0.098 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001146719289 814845824 /nfs/dbraw/zinc/84/58/24/814845824.db2.gz ONAAKMKBPQKMKD-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccc(=O)[nH]n1 ZINC001146989032 814862635 /nfs/dbraw/zinc/86/26/35/814862635.db2.gz BRBDXZQTEKCJSH-UHFFFAOYSA-N 2 0 252.278 -0.743 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147826600 814917828 /nfs/dbraw/zinc/91/78/28/814917828.db2.gz YPIKQJIMJUSOOQ-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC2CC1(C(=O)N1CCCC1)C2 ZINC001159687456 815589488 /nfs/dbraw/zinc/58/94/88/815589488.db2.gz AWQLKDXRTHHXEC-MQYJIDSJSA-N 2 0 294.399 -0.334 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147824394 814918380 /nfs/dbraw/zinc/91/83/80/814918380.db2.gz JGBFKYMNNCMZBS-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(C(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001147876969 814921249 /nfs/dbraw/zinc/92/12/49/814921249.db2.gz ATENGUVQCPFBKT-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147877955 814922449 /nfs/dbraw/zinc/92/24/49/814922449.db2.gz QJFYDFBZGXFBND-GFCCVEGCSA-N 2 0 284.404 -0.440 20 0 CBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147878213 814922811 /nfs/dbraw/zinc/92/28/11/814922811.db2.gz VCSITMBETISWDK-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C)C(N)=O ZINC001159925041 815604189 /nfs/dbraw/zinc/60/41/89/815604189.db2.gz NKILWSYQOYLPAR-MWLCHTKSSA-N 2 0 270.377 -0.704 20 0 CBADRP COCCN(C(=O)[C@@]1(N)CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC001160441270 815621990 /nfs/dbraw/zinc/62/19/90/815621990.db2.gz VZFJJQCIAQZROJ-CQSZACIVSA-N 2 0 284.404 -0.754 20 0 CBADRP COCCN(C(=O)[C@H]1C[NH2+]C[C@H]1O)C1CC[NH+](C)CC1 ZINC001160441302 815622085 /nfs/dbraw/zinc/62/20/85/815622085.db2.gz WBKRRMYCTVRFGE-QWHCGFSZSA-N 2 0 285.388 -0.864 20 0 CBADRP COCCN(C(=O)[C@]1(N)CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC001160439053 815622288 /nfs/dbraw/zinc/62/22/88/815622288.db2.gz GNKPFOFOAYVONY-HNNXBMFYSA-N 2 0 298.431 -0.364 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N(CCO)Cc1cccs1 ZINC001160443477 815622483 /nfs/dbraw/zinc/62/24/83/815622483.db2.gz KXLHSXCHFVVFTG-GFCCVEGCSA-N 2 0 295.408 -0.122 20 0 CBADRP C[NH2+]Cc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)cc1 ZINC001160444052 815622606 /nfs/dbraw/zinc/62/26/06/815622606.db2.gz VGIDDUYJQRHKCA-CABZTGNLSA-N 2 0 294.355 -0.831 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001160453943 815623448 /nfs/dbraw/zinc/62/34/48/815623448.db2.gz HARJXSIIYNJHKJ-RYUDHWBXSA-N 2 0 255.362 -0.633 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCNC(=O)[C@@H]1C ZINC001160449904 815623705 /nfs/dbraw/zinc/62/37/05/815623705.db2.gz BAFAYEGZVFXDTQ-UWVGGRQHSA-N 2 0 256.350 -0.950 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160453883 815624026 /nfs/dbraw/zinc/62/40/26/815624026.db2.gz DVSKULVLPGSPGA-CYBMUJFWSA-N 3 0 280.416 -0.404 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])Cc2cncn2C)CC1 ZINC001160456306 815624936 /nfs/dbraw/zinc/62/49/36/815624936.db2.gz GRDRRKSIWSKPEC-ZDUSSCGKSA-N 2 0 279.388 -0.252 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@H](CC(C)C)NC(=O)C[NH3+])CC1 ZINC001160459156 815625348 /nfs/dbraw/zinc/62/53/48/815625348.db2.gz IUSOXCDVMGFGGL-ZDUSSCGKSA-N 2 0 298.431 -0.066 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001160454777 815625657 /nfs/dbraw/zinc/62/56/57/815625657.db2.gz TZFINHKYINFROP-ZDUSSCGKSA-N 2 0 296.415 -0.883 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCn2cccc2C1 ZINC001160477054 815627773 /nfs/dbraw/zinc/62/77/73/815627773.db2.gz SEOLEHAJCMCYRI-LBPRGKRZSA-N 2 0 260.341 -0.361 20 0 CBADRP CC1(C)C(=O)NCCN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001160478107 815628416 /nfs/dbraw/zinc/62/84/16/815628416.db2.gz LWGWUBQTWTZJEG-SNVBAGLBSA-N 2 0 268.361 -0.950 20 0 CBADRP CC[NH+](CC)C1CCN(C(=O)[C@@H](N)CC[NH3+])CC1 ZINC001160483615 815628804 /nfs/dbraw/zinc/62/88/04/815628804.db2.gz UFZWTBGNYOTXKA-LBPRGKRZSA-N 2 0 256.394 -0.005 20 0 CBADRP NC1(C(=O)N2CC[NH+](C3CCOCC3)CC2)CC[NH2+]CC1 ZINC001160490738 815629390 /nfs/dbraw/zinc/62/93/90/815629390.db2.gz GDKBNYASMWHVTM-UHFFFAOYSA-N 2 0 296.415 -0.610 20 0 CBADRP CC(C)[NH+]1CCN(CC(=O)N2CCC([NH3+])CC2)CC1 ZINC001160510993 815631063 /nfs/dbraw/zinc/63/10/63/815631063.db2.gz KKBOFDKMLJCXFU-UHFFFAOYSA-N 2 0 268.405 -0.038 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@H]2[NH2+]CC[C@@H]2O)CC1 ZINC001160537099 815633935 /nfs/dbraw/zinc/63/39/35/815633935.db2.gz FQKPNWGMZMLCEJ-RYUDHWBXSA-N 2 0 255.362 -0.348 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001160536843 815634066 /nfs/dbraw/zinc/63/40/66/815634066.db2.gz AYRUKFAORLRPFV-ZDUSSCGKSA-N 3 0 280.416 -0.262 20 0 CBADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001160539621 815634205 /nfs/dbraw/zinc/63/42/05/815634205.db2.gz YPPCIESEBKXPBS-UWVGGRQHSA-N 3 0 278.360 -0.507 20 0 CBADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001160539242 815634357 /nfs/dbraw/zinc/63/43/57/815634357.db2.gz OKLSIZNTJHMVFY-MIZYBKAJSA-N 2 0 273.340 -0.107 20 0 CBADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160539237 815634661 /nfs/dbraw/zinc/63/46/61/815634661.db2.gz OFTRJCIUUHFEKV-WDEREUQCSA-N 3 0 292.387 -0.116 20 0 CBADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001160539636 815635819 /nfs/dbraw/zinc/63/58/19/815635819.db2.gz ZBNCLHGNMBFQBS-WCABBAIRSA-N 2 0 277.328 -0.992 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCc2ncccc2C1 ZINC001160548473 815635910 /nfs/dbraw/zinc/63/59/10/815635910.db2.gz GWNKWKMIDAFTBG-NSHDSACASA-N 2 0 280.397 -0.015 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCc2ncccc2C1 ZINC001160549086 815637213 /nfs/dbraw/zinc/63/72/13/815637213.db2.gz PMDHXTWDOPYVGU-LBPRGKRZSA-N 2 0 272.352 -0.225 20 0 CBADRP CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1 ZINC001160578338 815640021 /nfs/dbraw/zinc/64/00/21/815640021.db2.gz WLCFKEBUSBWYSV-LBPRGKRZSA-N 2 0 296.415 -0.121 20 0 CBADRP CC(C)(C)[NH+]1CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001160578027 815640211 /nfs/dbraw/zinc/64/02/11/815640211.db2.gz RMOCOOFJZMXCAU-GFCCVEGCSA-N 2 0 296.415 -0.741 20 0 CBADRP CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC001160578399 815641177 /nfs/dbraw/zinc/64/11/77/815641177.db2.gz YOKLNFLWRBWXDI-GHMZBOCLSA-N 2 0 255.362 -0.491 20 0 CBADRP CCOC(=O)[C@H]1CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCO1 ZINC001160596181 815642914 /nfs/dbraw/zinc/64/29/14/815642914.db2.gz LFEHALXKQDRFHG-VXGBXAGGSA-N 2 0 299.371 -0.896 20 0 CBADRP COC(=O)C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CCO1 ZINC001160595502 815643110 /nfs/dbraw/zinc/64/31/10/815643110.db2.gz CPZVSUSMJFHLQH-MNOVXSKESA-N 2 0 287.360 -0.767 20 0 CBADRP COC(=O)[C@]1(C)CCCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001160634784 815646306 /nfs/dbraw/zinc/64/63/06/815646306.db2.gz DPBWKQBBRMYETL-BXUZGUMPSA-N 2 0 295.383 -0.403 20 0 CBADRP COC(=O)[C@@]1(C)CCCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001160634785 815646699 /nfs/dbraw/zinc/64/66/99/815646699.db2.gz DPBWKQBBRMYETL-FZMZJTMJSA-N 2 0 295.383 -0.403 20 0 CBADRP C[NH+](C)C1(C)CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C1 ZINC001160644944 815650073 /nfs/dbraw/zinc/65/00/73/815650073.db2.gz KFJAZPCNOSPTTD-HUTHGQBESA-N 2 0 261.391 -0.755 20 0 CBADRP C[NH+](C)C1(C)CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001160644508 815650284 /nfs/dbraw/zinc/65/02/84/815650284.db2.gz FETBGTNDRLYDFL-GWCFXTLKSA-N 2 0 252.362 -0.900 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160650396 815652053 /nfs/dbraw/zinc/65/20/53/815652053.db2.gz VAYMEZHSUGKIKG-AXFHLTTASA-N 2 0 288.367 -0.626 20 0 CBADRP CO[C@@H]1CCCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001160647246 815652084 /nfs/dbraw/zinc/65/20/84/815652084.db2.gz CMRWYSZGJJSDPV-VXGBXAGGSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1C[C@H](O)CCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160656521 815652722 /nfs/dbraw/zinc/65/27/22/815652722.db2.gz YHZXOOGLNCETJX-BBBLOLIVSA-N 2 0 261.391 -0.623 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)C[NH2+]2)C[C@H]1O ZINC001160652583 815652825 /nfs/dbraw/zinc/65/28/25/815652825.db2.gz HIEJVOAMYDLUJW-SGIHWFKDSA-N 2 0 295.305 -0.163 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C[C@H]1O ZINC001160652856 815653152 /nfs/dbraw/zinc/65/31/52/815653152.db2.gz OOUXSGQKQCVSHC-HZSPNIEDSA-N 2 0 275.352 -0.379 20 0 CBADRP CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160681186 815655715 /nfs/dbraw/zinc/65/57/15/815655715.db2.gz WVJVRAOPVYLHEZ-LLVKDONJSA-N 2 0 297.399 -0.014 20 0 CBADRP CC(C)[C@@H]1COCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160670312 815656099 /nfs/dbraw/zinc/65/60/99/815656099.db2.gz WTWVYXSUPBKKQD-KGLIPLIRSA-N 2 0 298.431 -0.380 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001160688072 815656801 /nfs/dbraw/zinc/65/68/01/815656801.db2.gz MNKZAXHJTDLIDL-TZMCWYRMSA-N 2 0 266.389 -0.508 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001160689606 815656896 /nfs/dbraw/zinc/65/68/96/815656896.db2.gz ZLTGKMUGJUTHPY-ZDUSSCGKSA-N 2 0 254.378 -0.379 20 0 CBADRP CN(CCC1OCCO1)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160683492 815657607 /nfs/dbraw/zinc/65/76/07/815657607.db2.gz MUKUHHYRFYQBNH-JTQLQIEISA-N 2 0 269.345 -0.983 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N(C)C[C@@H]1CCC[NH2+]C1 ZINC001160694803 815658531 /nfs/dbraw/zinc/65/85/31/815658531.db2.gz FJIRKTLWMDNRNV-OLZOCXBDSA-N 2 0 298.431 -0.066 20 0 CBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001160695100 815658892 /nfs/dbraw/zinc/65/88/92/815658892.db2.gz IIBNYCQCKMJDKQ-WDEREUQCSA-N 2 0 285.392 -0.780 20 0 CBADRP CCN(CCn1cccn1)C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001160694285 815659384 /nfs/dbraw/zinc/65/93/84/815659384.db2.gz UJNSLQQGEVHBRZ-NSHDSACASA-N 2 0 253.350 -0.202 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH2+]C[C@@H]3F)C[C@H]2C1 ZINC001160703340 815660217 /nfs/dbraw/zinc/66/02/17/815660217.db2.gz BRKZPZGJCIYWSJ-USZNOCQGSA-N 2 0 255.337 -0.046 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001160705341 815661481 /nfs/dbraw/zinc/66/14/81/815661481.db2.gz VROBZWHROSFAFU-XQQFMLRXSA-N 2 0 296.415 -0.504 20 0 CBADRP COC(=O)[C@H](C)N(C)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160718358 815664057 /nfs/dbraw/zinc/66/40/57/815664057.db2.gz GFTWHEODFLSTFP-QWRGUYRKSA-N 2 0 283.372 -0.120 20 0 CBADRP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[NH+]2CCC1CC2 ZINC001160726813 815664704 /nfs/dbraw/zinc/66/47/04/815664704.db2.gz WLCJCDSAIODOPJ-CQSZACIVSA-N 2 0 295.431 -0.957 20 0 CBADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC[NH+]2CCC1CC2 ZINC001160727105 815665789 /nfs/dbraw/zinc/66/57/89/815665789.db2.gz ZNOGPLMEWWUJHH-WCFLWFBJSA-N 2 0 264.373 -0.757 20 0 CBADRP CCN(CC(C)(C)O)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160755971 815667438 /nfs/dbraw/zinc/66/74/38/815667438.db2.gz WRPRGDGPGRXPPL-BXUZGUMPSA-N 2 0 269.389 -0.195 20 0 CBADRP CCOC(=O)[C@]12CN(C(=O)C(C)(C)C[NH3+])C[C@H]1C[NH2+]CC2 ZINC001160805870 815673006 /nfs/dbraw/zinc/67/30/06/815673006.db2.gz GOTDBQDGRJYIOR-IAQYHMDHSA-N 2 0 297.399 -0.028 20 0 CBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H](C)[NH3+])C[C@H]1C2 ZINC001160791824 815673533 /nfs/dbraw/zinc/67/35/33/815673533.db2.gz DSOCQJDVQNRADD-QEGBUVANSA-N 2 0 281.356 -0.809 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001160835343 815676231 /nfs/dbraw/zinc/67/62/31/815676231.db2.gz ZCECROWQKMXPPJ-LBPRGKRZSA-N 2 0 296.415 -0.168 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001160838686 815676420 /nfs/dbraw/zinc/67/64/20/815676420.db2.gz NYESKAITVDYJIB-SRVKXCTJSA-N 2 0 273.352 -0.135 20 0 CBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCn2nncc2C1 ZINC001160834002 815676514 /nfs/dbraw/zinc/67/65/14/815676514.db2.gz WXBZBGRADQSAQN-LBPRGKRZSA-N 2 0 290.371 -0.506 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+]CCNC(=O)C1CC1)[NH+](C)C ZINC001160889973 815685859 /nfs/dbraw/zinc/68/58/59/815685859.db2.gz RRLLAEWBLFRFLK-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP O=C([C@@H]1C[C@@H](F)CC[NH2+]1)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915652 815686570 /nfs/dbraw/zinc/68/65/70/815686570.db2.gz IEHLGBNPBZINOF-ONGXEEELSA-N 2 0 279.319 -0.129 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N(CCO)CC(F)(F)F ZINC001160909372 815687044 /nfs/dbraw/zinc/68/70/44/815687044.db2.gz SZHFSMOQJQBLNJ-QMMMGPOBSA-N 2 0 281.278 -0.821 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N(CCO)CC(F)(F)F ZINC001160909273 815687067 /nfs/dbraw/zinc/68/70/67/815687067.db2.gz QZZSTYPLAAVEBV-SSDOTTSWSA-N 2 0 257.256 -0.564 20 0 CBADRP COC(=O)c1cn2c(n1)CN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2 ZINC001160902587 815687217 /nfs/dbraw/zinc/68/72/17/815687217.db2.gz UDGJPIMYOADIKH-VIFPVBQESA-N 2 0 295.343 -0.922 20 0 CBADRP C[C@]1(C(=O)N(c2ncccn2)C2C[NH2+]C2)CC[NH2+]C1 ZINC001160916198 815688575 /nfs/dbraw/zinc/68/85/75/815688575.db2.gz XERJQOABUMIIIO-ZDUSSCGKSA-N 2 0 261.329 -0.219 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@@H]1CCN3)C2 ZINC001160962281 815691162 /nfs/dbraw/zinc/69/11/62/815691162.db2.gz BTYVRVMXYKYAFR-MXYBEHONSA-N 2 0 278.400 -0.652 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@H]([NH3+])CCC[NH3+])C2 ZINC001160965169 815691570 /nfs/dbraw/zinc/69/15/70/815691570.db2.gz UFBFMSHDOIFXAG-NQBHXWOUSA-N 3 0 254.378 -0.537 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)CC(F)(F)C1 ZINC001160966978 815691919 /nfs/dbraw/zinc/69/19/19/815691919.db2.gz HZNRSFWQBWNZMB-ZRUFSTJUSA-N 2 0 289.326 -0.052 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999462 815692704 /nfs/dbraw/zinc/69/27/04/815692704.db2.gz FAYOIRWAPHWBPI-UPJWGTAASA-N 2 0 281.400 -0.053 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161007489 815694545 /nfs/dbraw/zinc/69/45/45/815694545.db2.gz KEOQTIDOKJBKJT-NWDGAFQWSA-N 2 0 283.372 -0.920 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161006208 815695043 /nfs/dbraw/zinc/69/50/43/815695043.db2.gz AXPXTGIKQGPZKV-NWDGAFQWSA-N 2 0 299.415 -0.156 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CC[NH2+]1 ZINC001161016327 815696145 /nfs/dbraw/zinc/69/61/45/815696145.db2.gz WYUOBSXDXNNSDX-MGPQQGTHSA-N 2 0 280.416 -0.119 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@H]2C[C@H]3C[NH2+]C[C@H]3O2)CC[NH2+]1 ZINC001161015886 815696235 /nfs/dbraw/zinc/69/62/35/815696235.db2.gz LARZTQCPPYBZKU-WRWGMCAJSA-N 2 0 253.346 -0.426 20 0 CBADRP C[C@@H]1CN(C(=O)C2CCN([C@@H]3CC[NH2+]C3)CC2)CC[NH2+]1 ZINC001161017762 815696280 /nfs/dbraw/zinc/69/62/80/815696280.db2.gz YBFAQFPPAMOPPV-TZMCWYRMSA-N 2 0 280.416 -0.119 20 0 CBADRP C[C@@H]1CN(C(=O)C2([NH3+])CCC3(CC2)OCCO3)CC[NH2+]1 ZINC001161017332 815696685 /nfs/dbraw/zinc/69/66/85/815696685.db2.gz LNIFACJWGBKZCD-LLVKDONJSA-N 2 0 283.372 -0.179 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC001161020924 815698378 /nfs/dbraw/zinc/69/83/78/815698378.db2.gz UKQNOOOGTKIIPY-GMTAPVOTSA-N 2 0 269.345 -0.795 20 0 CBADRP NC(=S)C1CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001161031395 815699641 /nfs/dbraw/zinc/69/96/41/815699641.db2.gz CYNIDPUELVQHLT-LLVKDONJSA-N 2 0 284.429 -0.162 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001161043022 815702864 /nfs/dbraw/zinc/70/28/64/815702864.db2.gz WNSUJQHGUBNBMR-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP Cn1cnnc1C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161042746 815703468 /nfs/dbraw/zinc/70/34/68/815703468.db2.gz UKZVQHODQNHWEP-LBPRGKRZSA-N 2 0 294.403 -0.105 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C)C(N)=O ZINC001161053716 815704826 /nfs/dbraw/zinc/70/48/26/815704826.db2.gz XXUJKPVNSXVSDA-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161062526 815705313 /nfs/dbraw/zinc/70/53/13/815705313.db2.gz KSOUIQBLYCLBSN-WUHRBBMRSA-N 2 0 283.372 -0.134 20 0 CBADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)C1 ZINC001161050811 815705348 /nfs/dbraw/zinc/70/53/48/815705348.db2.gz POUBEOBEEORIAW-WOPDTQHZSA-N 2 0 255.362 -0.350 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161060233 815705480 /nfs/dbraw/zinc/70/54/80/815705480.db2.gz ALDLXHYGTODNTE-ZVUJNLJXSA-N 2 0 275.418 -0.189 20 0 CBADRP CN(C(=O)CN1CC[NH2+]CC1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161061619 815705728 /nfs/dbraw/zinc/70/57/28/815705728.db2.gz HUMQYQVOHUTBMP-NEPJUHHUSA-N 2 0 254.378 -0.380 20 0 CBADRP CN(C(=O)[C@H]1C[NH2+]CCN1C)[C@H]1CCCC[C@H]1[NH3+] ZINC001161061601 815705746 /nfs/dbraw/zinc/70/57/46/815705746.db2.gz HOROOOSGTGLOBO-GRYCIOLGSA-N 2 0 254.378 -0.382 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C)C(N)=O ZINC001161053723 815705862 /nfs/dbraw/zinc/70/58/62/815705862.db2.gz XXUJKPVNSXVSDA-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP CCOC(=O)C1(C(=O)N(C)[C@H]2CCCC[C@@H]2[NH3+])C[NH2+]C1 ZINC001161064506 815707087 /nfs/dbraw/zinc/70/70/87/815707087.db2.gz QFJUBOCVLKXQEG-QWRGUYRKSA-N 2 0 283.372 -0.133 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C1(C)CC[NH2+]CC1 ZINC001161068918 815707531 /nfs/dbraw/zinc/70/75/31/815707531.db2.gz XYJKOJNNKVWNIZ-NSHDSACASA-N 2 0 265.361 -0.120 20 0 CBADRP CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161065421 815707558 /nfs/dbraw/zinc/70/75/58/815707558.db2.gz RRRGPZCDVZTDCB-MJBXVCDLSA-N 3 0 297.447 -0.535 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C3(N)CC[NH2+]CC3)C[C@H]21 ZINC001161080989 815709673 /nfs/dbraw/zinc/70/96/73/815709673.db2.gz AUZHPRYCABPCQD-NWDGAFQWSA-N 2 0 266.389 -0.380 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)C[C@@H]21 ZINC001161081419 815709818 /nfs/dbraw/zinc/70/98/18/815709818.db2.gz JOIWSQSUSRNVCF-WYUUTHIRSA-N 2 0 253.346 -0.881 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@@H]21 ZINC001161081146 815710273 /nfs/dbraw/zinc/71/02/73/815710273.db2.gz FWIPDHPDIRJVLP-STQMWFEESA-N 2 0 266.389 -0.556 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@@H]21 ZINC001161082044 815710957 /nfs/dbraw/zinc/71/09/57/815710957.db2.gz NJWKLGLBOCUEQN-BJDJZHNGSA-N 2 0 253.346 -0.738 20 0 CBADRP C[C@@H](C(N)=O)[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161088516 815712593 /nfs/dbraw/zinc/71/25/93/815712593.db2.gz BHDCTFUOJNJEHM-LBPRGKRZSA-N 2 0 296.415 -0.050 20 0 CBADRP CCN(C(=O)[C@H](CCCC[NH3+])[NH2+]C)C1CN(C)C1 ZINC001161138197 815720991 /nfs/dbraw/zinc/72/09/91/815720991.db2.gz PEVWQTDJKYUOPN-LBPRGKRZSA-N 2 0 256.394 -0.134 20 0 CBADRP CO[C@H](C)C1CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161145731 815721820 /nfs/dbraw/zinc/72/18/20/815721820.db2.gz HUKPGJQDWLXEDZ-BXKDBHETSA-N 2 0 255.362 -0.193 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC001161157545 815723313 /nfs/dbraw/zinc/72/33/13/815723313.db2.gz FSBCRKNYBDKLRD-FZMZJTMJSA-N 2 0 283.372 -0.274 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001161158224 815723337 /nfs/dbraw/zinc/72/33/37/815723337.db2.gz RUCMESQTOQRPFG-GHMZBOCLSA-N 2 0 289.351 -0.326 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001161157788 815723764 /nfs/dbraw/zinc/72/37/64/815723764.db2.gz JUBKXWAHAMSSEE-IAZYJMLFSA-N 2 0 269.345 -0.808 20 0 CBADRP CCC[NH+]1C[C@H]2CN(C(=O)CNCC[NH3+])C[C@@H]2C1 ZINC001161174624 815724535 /nfs/dbraw/zinc/72/45/35/815724535.db2.gz AZGNTFGFONYXCU-RYUDHWBXSA-N 2 0 254.378 -0.665 20 0 CBADRP CCC[NH+]1C[C@H]2CN(C(=O)C3(N)CC[NH2+]CC3)C[C@@H]2C1 ZINC001161175976 815724617 /nfs/dbraw/zinc/72/46/17/815724617.db2.gz QLZJOYLSSHOGJH-STQMWFEESA-N 2 0 280.416 -0.133 20 0 CBADRP CCC[NH+]1C[C@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@@H]2C1 ZINC001161174680 815724678 /nfs/dbraw/zinc/72/46/78/815724678.db2.gz CHOWBBMMZXHVJT-KBPBESRZSA-N 2 0 280.416 -0.308 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@H]2C1 ZINC001161175280 815724683 /nfs/dbraw/zinc/72/46/83/815724683.db2.gz KEWCUYOHSACMRZ-JHJVBQTASA-N 3 0 268.405 -0.147 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@H]2C1 ZINC001161174611 815724711 /nfs/dbraw/zinc/72/47/11/815724711.db2.gz ATFCGCSIVCTYKD-YVECIDJPSA-N 2 0 267.373 -0.491 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CCN4)C[C@H]2C1 ZINC001161175199 815724921 /nfs/dbraw/zinc/72/49/21/815724921.db2.gz IUDNWJKGSWDNQN-KQTLUZQSSA-N 2 0 292.427 -0.262 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H](N)CC[NH3+])C[C@H]2C1 ZINC001161175274 815725056 /nfs/dbraw/zinc/72/50/56/815725056.db2.gz KCTATCUEGIZCBE-UTUOFQBUSA-N 2 0 254.378 -0.537 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@H]2C1 ZINC001161174609 815725296 /nfs/dbraw/zinc/72/52/96/815725296.db2.gz ATFCGCSIVCTYKD-RNJOBUHISA-N 2 0 267.373 -0.491 20 0 CBADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCC(O)CC1 ZINC001161178429 815726595 /nfs/dbraw/zinc/72/65/95/815726595.db2.gz OVLLCWCECWBQLB-GFCCVEGCSA-N 2 0 267.373 -0.156 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161203693 815727748 /nfs/dbraw/zinc/72/77/48/815727748.db2.gz HNCOSISNPSKTOC-ZDUSSCGKSA-N 2 0 269.389 -0.066 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)N2CCC(C3CC[NH2+]CC3)CC2)C1 ZINC001161209925 815727988 /nfs/dbraw/zinc/72/79/88/815727988.db2.gz FHHWFBFZEJWGQI-KBPBESRZSA-N 2 0 280.416 -0.086 20 0 CBADRP CN(C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)[C@@H]1CCC2(C1)OCCO2 ZINC001161219205 815728589 /nfs/dbraw/zinc/72/85/89/815728589.db2.gz OIDSVRLWFWSMMH-VXGBXAGGSA-N 2 0 295.383 -0.451 20 0 CBADRP C[C@H]1CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC001161229775 815729897 /nfs/dbraw/zinc/72/98/97/815729897.db2.gz VELPTVBRCIPTRL-NHCYSSNCSA-N 3 0 254.378 -0.478 20 0 CBADRP C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C[C@H](C)[NH2+]1 ZINC001161229788 815730056 /nfs/dbraw/zinc/73/00/56/815730056.db2.gz VYBVRNAKEYJORO-ZPFDUUQYSA-N 2 0 252.362 -0.853 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@H](n2ccnn2)C1 ZINC001161234318 815730211 /nfs/dbraw/zinc/73/02/11/815730211.db2.gz AMOXGGXWEKMQKA-NWDGAFQWSA-N 2 0 290.371 -0.749 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001161230966 815730685 /nfs/dbraw/zinc/73/06/85/815730685.db2.gz AHKHZTNYRISSAK-NNYUYHANSA-N 2 0 283.372 -0.406 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161246872 815733675 /nfs/dbraw/zinc/73/36/75/815733675.db2.gz RAVBWUIOWPPAJW-WCQYABFASA-N 2 0 288.367 -0.481 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161269923 815735463 /nfs/dbraw/zinc/73/54/63/815735463.db2.gz FUUMKKJBDGSPQZ-UONOGXRCSA-N 2 0 292.383 -0.128 20 0 CBADRP CNC(=O)NC1CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001161267985 815735619 /nfs/dbraw/zinc/73/56/19/815735619.db2.gz AQPSNEBYKDPSDX-NSHDSACASA-N 2 0 285.392 -0.637 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC[C@H](Oc2ncccn2)C1 ZINC001161295547 815737238 /nfs/dbraw/zinc/73/72/38/815737238.db2.gz LIRFYEROUZIECQ-NWDGAFQWSA-N 2 0 293.371 -0.087 20 0 CBADRP Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001161306689 815738654 /nfs/dbraw/zinc/73/86/54/815738654.db2.gz WALSDLQOPJMQGX-OCCSQVGLSA-N 2 0 290.367 -0.381 20 0 CBADRP CCN(C(=O)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@H]1CCC[NH2+]C1 ZINC001161331923 815740952 /nfs/dbraw/zinc/74/09/52/815740952.db2.gz IPYIXLAXEGRSPZ-QNWHQSFQSA-N 2 0 267.373 -0.179 20 0 CBADRP CCN(C(=O)[C@@H]1C[NH2+]CCC1=O)[C@H]1CCC[NH2+]C1 ZINC001161330329 815741032 /nfs/dbraw/zinc/74/10/32/815741032.db2.gz MAVDBXKBRJMNMX-WDEREUQCSA-N 2 0 253.346 -0.235 20 0 CBADRP CCN(C(=O)COCCOCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161331224 815741763 /nfs/dbraw/zinc/74/17/63/815741763.db2.gz USVPGHKHMRGLFW-GFCCVEGCSA-N 2 0 273.377 -0.421 20 0 CBADRP CCN(C(=O)[C@H]([NH3+])Cc1cnc[nH]1)[C@@H]1CCC[NH2+]C1 ZINC001161329189 815741766 /nfs/dbraw/zinc/74/17/66/815741766.db2.gz WHCTXJHKBMLQBN-VXGBXAGGSA-N 2 0 265.361 -0.120 20 0 CBADRP CCN(C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2)[C@H]1CCC[NH2+]C1 ZINC001161333155 815742848 /nfs/dbraw/zinc/74/28/48/815742848.db2.gz SAQPTJXSTQIGHS-SFTQSGBHSA-N 2 0 266.389 -0.191 20 0 CBADRP CCN(C(=O)[C@]1(C)CC[NH2+]C[C@H]1O)[C@H]1CCC[NH2+]C1 ZINC001161332431 815742898 /nfs/dbraw/zinc/74/28/98/815742898.db2.gz MZOFTHLQRCRVJM-OUCADQQQSA-N 2 0 269.389 -0.053 20 0 CBADRP CC(C)N(C(=O)[C@@H]([NH3+])CSCC[NH3+])[C@H]1CC[NH2+]C1 ZINC001161353591 815747547 /nfs/dbraw/zinc/74/75/47/815747547.db2.gz UHJPWDYPESJTFG-QWRGUYRKSA-N 3 0 274.434 -0.396 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161380455 815748283 /nfs/dbraw/zinc/74/82/83/815748283.db2.gz KKTYYWHOQCXZIV-AVGNSLFASA-N 2 0 283.372 -0.968 20 0 CBADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[NH2+]C[C@@H]3F)C2)CC1 ZINC001161376788 815748343 /nfs/dbraw/zinc/74/83/43/815748343.db2.gz DFFHKRJFESULHD-MCIONIFRSA-N 2 0 298.406 -0.042 20 0 CBADRP [NH3+]C1CCN([C@H]2CCN(C(=O)C3([NH3+])CC3)C2)CC1 ZINC001161377608 815748706 /nfs/dbraw/zinc/74/87/06/815748706.db2.gz IWIBHYJYRMMVNZ-NSHDSACASA-N 2 0 252.362 -0.498 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161382498 815748748 /nfs/dbraw/zinc/74/87/48/815748748.db2.gz ZILDCKGKBWXSGO-NWDGAFQWSA-N 2 0 271.361 -0.981 20 0 CBADRP N[C@@]1(C(=O)N2CC[C@H](N3CCC([NH3+])CC3)C2)CCC[NH2+]C1 ZINC001161378242 815749150 /nfs/dbraw/zinc/74/91/50/815749150.db2.gz KXMLBCBSZADGNG-ZFWWWQNUSA-N 2 0 295.431 -0.909 20 0 CBADRP N[C@]1(C(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)CCC[NH2+]C1 ZINC001161387976 815749932 /nfs/dbraw/zinc/74/99/32/815749932.db2.gz GUBKUQLIBAQKTA-UKRRQHHQSA-N 2 0 296.415 -0.610 20 0 CBADRP NC1(C(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)CC[NH2+]CC1 ZINC001161389237 815750255 /nfs/dbraw/zinc/75/02/55/815750255.db2.gz PPVAMLNBTVADCS-CYBMUJFWSA-N 2 0 296.415 -0.610 20 0 CBADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161389200 815750389 /nfs/dbraw/zinc/75/03/89/815750389.db2.gz PCYUEQNOXTYEFQ-AVGNSLFASA-N 2 0 283.372 -0.968 20 0 CBADRP NC1(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC[NH2+]CC1 ZINC001161413771 815751790 /nfs/dbraw/zinc/75/17/90/815751790.db2.gz REZGVCZJQDNNKD-GARJFASQSA-N 2 0 252.362 -0.737 20 0 CBADRP N[C@@]1(C(=O)N2C[C@@H]3[C@H]([NH3+])CC[C@@H]3C2)CCC[NH2+]C1 ZINC001161412329 815751991 /nfs/dbraw/zinc/75/19/91/815751991.db2.gz JMLSSOPGLJOKOT-XZUYRWCXSA-N 2 0 252.362 -0.737 20 0 CBADRP [NH3+][C@H](C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1)C1CC[NH2+]CC1 ZINC001161411857 815752157 /nfs/dbraw/zinc/75/21/57/815752157.db2.gz BPIIGZQDTZEXJL-LPWJVIDDSA-N 3 0 266.389 -0.491 20 0 CBADRP N=c1ncc(C[NH3+])cn1-c1cc2c(nn1)CC[NH2+]C2 ZINC001161415885 815752529 /nfs/dbraw/zinc/75/25/29/815752529.db2.gz PLZZZQSBXWMJIV-UHFFFAOYSA-N 2 0 257.301 -0.754 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CC[NH2+]C[C@H]4O3)C[C@@H]12 ZINC001161414691 815753101 /nfs/dbraw/zinc/75/31/01/815753101.db2.gz YPIXQTZWGSOVAD-BPKMXRTBSA-N 2 0 279.384 -0.051 20 0 CBADRP N=c1ncc(C[NH3+])cn1-c1ccc(N2CC[NH2+]CC2)cn1 ZINC001161415179 815753439 /nfs/dbraw/zinc/75/34/39/815753439.db2.gz CZDNNYMUNZONRP-UHFFFAOYSA-N 2 0 285.355 -0.385 20 0 CBADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1CC[NH2+]C1 ZINC001161418829 815754009 /nfs/dbraw/zinc/75/40/09/815754009.db2.gz SBNAQVPLPSAGBH-QMMMGPOBSA-N 2 0 296.293 -0.448 20 0 CBADRP [NH3+][C@H]1CCCCN(CC(=O)N2CC[N@@H+]3CC[C@@H]3C2)C1=O ZINC001161424140 815754312 /nfs/dbraw/zinc/75/43/12/815754312.db2.gz ZPTHNGCCGDFAPK-NEPJUHHUSA-N 2 0 280.372 -0.757 20 0 CBADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161422077 815754336 /nfs/dbraw/zinc/75/43/36/815754336.db2.gz ZFRYWAIUGHNZNN-QWHCGFSZSA-N 3 0 278.400 -0.223 20 0 CBADRP O=C([C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)N1CC[NH2+]C1 ZINC001161418751 815754425 /nfs/dbraw/zinc/75/44/25/815754425.db2.gz OMMJEDPNLZILPP-NEPJUHHUSA-N 2 0 252.362 -0.550 20 0 CBADRP Cc1cnc(-n2cc(C[NH3+])cnc2=N)nc1C1C[NH2+]C1 ZINC001161421470 815754638 /nfs/dbraw/zinc/75/46/38/815754638.db2.gz VUXNWWCTTRMUKW-UHFFFAOYSA-N 2 0 271.328 -0.404 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161423769 815754758 /nfs/dbraw/zinc/75/47/58/815754758.db2.gz MTTBRWPHXOUQSD-NWDGAFQWSA-N 3 0 254.378 -0.251 20 0 CBADRP C[NH+](C)CCN(C(=O)C1(N)CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001161444465 815755322 /nfs/dbraw/zinc/75/53/22/815755322.db2.gz IJPFEZRTMPQHMO-CYBMUJFWSA-N 3 0 297.447 -0.791 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@]1(N)CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001161444226 815755687 /nfs/dbraw/zinc/75/56/87/815755687.db2.gz FSQRXLTUQQMIEB-ZFWWWQNUSA-N 3 0 297.447 -0.791 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@]1(N)CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001161444224 815755911 /nfs/dbraw/zinc/75/59/11/815755911.db2.gz FSQRXLTUQQMIEB-HIFRSBDPSA-N 3 0 297.447 -0.791 20 0 CBADRP C[NH+](C)CCN(C(=O)C[C@H]1COCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161448461 815755931 /nfs/dbraw/zinc/75/59/31/815755931.db2.gz CIBGVKQOSUYEDH-KBPBESRZSA-N 3 0 298.431 -0.493 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161444294 815755991 /nfs/dbraw/zinc/75/59/91/815755991.db2.gz FZKAGTMVKGTZEV-KGLIPLIRSA-N 4 0 299.463 -0.415 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@]1(C)CC[NH2+]C1)CC2 ZINC001161479300 815758430 /nfs/dbraw/zinc/75/84/30/815758430.db2.gz JVFFAYKXVKMUIO-UGFHNGPFSA-N 2 0 295.383 -0.260 20 0 CBADRP CN1C(=O)CC[C@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC[C@H]21 ZINC001161481188 815758594 /nfs/dbraw/zinc/75/85/94/815758594.db2.gz CTQZLYZGZYZODZ-RWMBFGLXSA-N 2 0 296.415 -0.088 20 0 CBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1CCCC[NH2+]1)CC2 ZINC001161478117 815758668 /nfs/dbraw/zinc/75/86/68/815758668.db2.gz KSISYPLXZLISBP-SLEUVZQESA-N 2 0 295.383 -0.118 20 0 CBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CCC[C@H]1[NH3+])CC2 ZINC001161479919 815758830 /nfs/dbraw/zinc/75/88/30/815758830.db2.gz QWGHBVJSMSMMCN-RTWAVKEYSA-N 2 0 295.383 -0.133 20 0 CBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1CC[C@@H]1[NH3+])CC2 ZINC001161477372 815758836 /nfs/dbraw/zinc/75/88/36/815758836.db2.gz HKTWVXUPFIQAJC-KZWBYHQPSA-N 2 0 281.356 -0.523 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C1([NH3+])CC1)CC2 ZINC001161481920 815758882 /nfs/dbraw/zinc/75/88/82/815758882.db2.gz ZLWLOJRDTQQMBP-SKDRFNHKSA-N 2 0 267.329 -0.769 20 0 CBADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161488302 815760171 /nfs/dbraw/zinc/76/01/71/815760171.db2.gz CJLCFQODKUMKRO-WCQYABFASA-N 3 0 266.389 -0.617 20 0 CBADRP C[C@@]1(C[NH3+])CCCN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC001161487163 815760250 /nfs/dbraw/zinc/76/02/50/815760250.db2.gz DTYIBHDICGLSQC-AAEUAGOBSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@]2(N)CCC[NH2+]C2)C1 ZINC001161487761 815760529 /nfs/dbraw/zinc/76/05/29/815760529.db2.gz IKNBFVQINRPYHF-OLZOCXBDSA-N 2 0 254.378 -0.345 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@H]2CO[C@]3(C2)CCC[NH2+]CC3)C[C@@H]1[NH3+] ZINC001161491932 815761339 /nfs/dbraw/zinc/76/13/39/815761339.db2.gz JZPCCXAVMXTWHZ-QVHKTLOISA-N 2 0 297.399 -0.280 20 0 CBADRP CO[C@@H]1CN(C(=O)C2CCC(C[NH3+])CC2)C[C@@H]1[NH3+] ZINC001161493366 815761891 /nfs/dbraw/zinc/76/18/91/815761891.db2.gz MNODENSLXWFDTG-MMVSWEMESA-N 2 0 255.362 -0.064 20 0 CBADRP C[C@@H]1CN(C2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2)C[C@@H](C)O1 ZINC001161497758 815763557 /nfs/dbraw/zinc/76/35/57/815763557.db2.gz CZZIZAICRYGXCH-BZPMIXESSA-N 2 0 298.431 -0.237 20 0 CBADRP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161509852 815765036 /nfs/dbraw/zinc/76/50/36/815765036.db2.gz LNUJLOCWTJIBQU-OUAUKWLOSA-N 2 0 285.388 -0.297 20 0 CBADRP [NH3+]CC1CCC(C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)CC1 ZINC001161509499 815765039 /nfs/dbraw/zinc/76/50/39/815765039.db2.gz KHNJTVIPHARVSW-HTAVTVPLSA-N 2 0 267.373 -0.062 20 0 CBADRP [NH3+]Cc1ccccc1C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161508150 815765057 /nfs/dbraw/zinc/76/50/57/815765057.db2.gz XUDCXJLVRSECPE-GFCCVEGCSA-N 2 0 261.325 -0.055 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC12COC2 ZINC001161511116 815766282 /nfs/dbraw/zinc/76/62/82/815766282.db2.gz WQLMZZCSZAFQRC-VXGBXAGGSA-N 3 0 294.399 -0.953 20 0 CBADRP Cc1nc2c(o1)CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001161523482 815766666 /nfs/dbraw/zinc/76/66/66/815766666.db2.gz MTLFOHWBEYHWNL-JTQLQIEISA-N 2 0 276.340 -0.323 20 0 CBADRP CO[C@@H]1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)[C@H](C)C1 ZINC001161534025 815768129 /nfs/dbraw/zinc/76/81/29/815768129.db2.gz BZZVGBMHYRMROW-BNOWGMLFSA-N 2 0 298.431 -0.237 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001161529484 815768548 /nfs/dbraw/zinc/76/85/48/815768548.db2.gz DVIMOSTZGFWCQZ-OCHXMRFMSA-N 2 0 255.362 -0.187 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12CCOCC2)N1CC[NH2+]C2(CC2)C1 ZINC001161544893 815769682 /nfs/dbraw/zinc/76/96/82/815769682.db2.gz IGYNOZNOTSLKSV-LBPRGKRZSA-N 2 0 279.384 -0.033 20 0 CBADRP COC(=O)CC[C@H]1COCCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001161567665 815770950 /nfs/dbraw/zinc/77/09/50/815770950.db2.gz ZOTBOZDHADDPNP-QWRGUYRKSA-N 2 0 287.360 -0.767 20 0 CBADRP [NH3+]C1(C(=O)N2CC[NH2+]C3(CC3)C2)CCC2(CC1)OCCO2 ZINC001161550827 815771813 /nfs/dbraw/zinc/77/18/13/815771813.db2.gz QWUGZXVNLSFMIK-UHFFFAOYSA-N 2 0 295.383 -0.035 20 0 CBADRP O=C(c1n[nH]c2c1CC[NH2+]C2)N1CC[NH2+]C2(CC2)C1 ZINC001161556350 815771968 /nfs/dbraw/zinc/77/19/68/815771968.db2.gz MPDLVYICBFHVFP-UHFFFAOYSA-N 2 0 261.329 -0.367 20 0 CBADRP [NH3+][C@@H](C(=O)N1CC[NH2+]C2(CC2)C1)C1CC[NH2+]CC1 ZINC001161551035 815772201 /nfs/dbraw/zinc/77/22/01/815772201.db2.gz ZAGSOLSJQXLKNX-LLVKDONJSA-N 3 0 252.362 -0.722 20 0 CBADRP COCCOC1CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C1 ZINC001161572378 815772916 /nfs/dbraw/zinc/77/29/16/815772916.db2.gz LZXFUNNSFJWNOX-ZDUSSCGKSA-N 2 0 287.404 -0.081 20 0 CBADRP O=C(NCCC[NH2+]CCO)C12CCC[NH+]1CCC2 ZINC001161795457 815787758 /nfs/dbraw/zinc/78/77/58/815787758.db2.gz JIEQFQUSZITCRL-UHFFFAOYSA-N 2 0 255.362 -0.297 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001161796075 815787811 /nfs/dbraw/zinc/78/78/11/815787811.db2.gz ZFQMKLDTWYNVBX-GFCCVEGCSA-N 2 0 296.415 -0.025 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161789703 815788710 /nfs/dbraw/zinc/78/87/10/815788710.db2.gz VSFSFCDGKGFFJL-UHFFFAOYSA-N 2 0 296.415 -0.153 20 0 CBADRP NC(=O)C[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161789663 815788748 /nfs/dbraw/zinc/78/87/48/815788748.db2.gz UHPISXWHZIPGHG-UHFFFAOYSA-N 2 0 268.361 -0.804 20 0 CBADRP C[C@H]([NH3+])c1ccc(N(CC[NH3+])S(C)(=O)=O)cn1 ZINC001162134064 815806061 /nfs/dbraw/zinc/80/60/61/815806061.db2.gz KBYPLAMNKAMLRW-QMMMGPOBSA-N 2 0 258.347 -0.174 20 0 CBADRP NC(=O)c1ccc(NCCC[NH2+]CCCC[NH3+])nn1 ZINC001162290114 815810384 /nfs/dbraw/zinc/81/03/84/815810384.db2.gz JPDMSRGFAHAZTG-UHFFFAOYSA-N 2 0 266.349 -0.294 20 0 CBADRP [NH3+]Cc1cn(-c2cnc(O[C@@H]3CC[NH2+]C3)nc2)cn1 ZINC001162301938 815811720 /nfs/dbraw/zinc/81/17/20/815811720.db2.gz GKVYRVVONPBZCM-LLVKDONJSA-N 2 0 260.301 -0.138 20 0 CBADRP CCOC(=O)c1c(C[NH3+])ncn1-c1cc2c(nn1)C[NH2+]C2 ZINC001162532249 815833568 /nfs/dbraw/zinc/83/35/68/815833568.db2.gz PVAZMMCDBOGNET-UHFFFAOYSA-N 2 0 288.311 -0.099 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1)C(N)=O ZINC001162618018 815836922 /nfs/dbraw/zinc/83/69/22/815836922.db2.gz ZQCWBTAWZBOSTQ-JTQLQIEISA-N 2 0 289.339 -0.082 20 0 CBADRP CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872086 815847083 /nfs/dbraw/zinc/84/70/83/815847083.db2.gz GHZMGNVQLSVEMD-MBHSVXNSSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+][C@H]1COC[C@H]1Nc1nccc(N2CC[NH2+]CC2)n1 ZINC001162914175 815847208 /nfs/dbraw/zinc/84/72/08/815847208.db2.gz PHTVZBZSETULJX-VHSXEESVSA-N 2 0 264.333 -0.976 20 0 CBADRP CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872085 815847484 /nfs/dbraw/zinc/84/74/84/815847484.db2.gz GHZMGNVQLSVEMD-LXVYMNJGSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+][C@H]1COC[C@H]1Nc1ccc(N2CC[NH2+]CC2)nc1 ZINC001162921371 815848350 /nfs/dbraw/zinc/84/83/50/815848350.db2.gz XWIVIRNVLWLYMI-NWDGAFQWSA-N 2 0 263.345 -0.371 20 0 CBADRP C[NH2+]Cc1cc(NCc2nnc3n2CCC[NH2+]C3)ncn1 ZINC001163016702 815852908 /nfs/dbraw/zinc/85/29/08/815852908.db2.gz HPKDMYOWRURTDI-UHFFFAOYSA-N 2 0 288.359 -0.107 20 0 CBADRP c1c2c(nnc1NCc1nnc3n1CCC[NH2+]C3)C[NH2+]C2 ZINC001163016354 815853419 /nfs/dbraw/zinc/85/34/19/815853419.db2.gz BAVGBWHDULXNGK-UHFFFAOYSA-N 2 0 286.343 -0.223 20 0 CBADRP CN1CCOc2c1cn[nH+]c2NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163102045 815860230 /nfs/dbraw/zinc/86/02/30/815860230.db2.gz JQWKANSBGJQLHZ-CKYFFXLPSA-N 2 0 291.355 -0.049 20 0 CBADRP c1c2c(nnc1NC[C@]13C[NH2+]C[C@H]1COC3)C[NH2+]C2 ZINC001163152405 815861899 /nfs/dbraw/zinc/86/18/99/815861899.db2.gz ADHDNVULZZIKOQ-GWCFXTLKSA-N 2 0 261.329 -0.272 20 0 CBADRP c1cc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)ncc1OC1C[NH2+]C1 ZINC001163147263 815862456 /nfs/dbraw/zinc/86/24/56/815862456.db2.gz LNCGSLNUEWWERE-JHJVBQTASA-N 2 0 276.340 -0.169 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cccnc2OC2C[NH2+]C2)N1 ZINC001163253830 815875889 /nfs/dbraw/zinc/87/58/89/815875889.db2.gz NHTGTAWFVZMBAE-FZMZJTMJSA-N 2 0 289.339 -0.578 20 0 CBADRP c1cnc(OC2C[NH2+]C2)c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c1 ZINC001163347988 815880276 /nfs/dbraw/zinc/88/02/76/815880276.db2.gz PNUITIMWZWOCSU-WXHSDQCUSA-N 2 0 276.340 -0.027 20 0 CBADRP Cc1nnc(C[NH3+])n1-c1ccnc(N2CC[NH+](C)CC2)n1 ZINC001163351818 815882284 /nfs/dbraw/zinc/88/22/84/815882284.db2.gz XLTLNICVMGBCDS-UHFFFAOYSA-N 2 0 288.359 -0.424 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])Nc1ncc2c(n1)CC[NH2+]C2 ZINC001163438451 815886129 /nfs/dbraw/zinc/88/61/29/815886129.db2.gz JCQZWNCVFIUNRP-LBPRGKRZSA-N 2 0 292.387 -0.222 20 0 CBADRP CCOC(=O)c1cn(-c2ncc3c(n2)C[NH2+]C3)nc1C[NH3+] ZINC001163523745 815888383 /nfs/dbraw/zinc/88/83/83/815888383.db2.gz FLVYIHBPHJYROG-UHFFFAOYSA-N 2 0 288.311 -0.099 20 0 CBADRP O=C(NC[C@H]1C[C@H]([NH2+]CCCO)C1)C12CC[NH+](CC1)C2 ZINC001316639398 816874699 /nfs/dbraw/zinc/87/46/99/816874699.db2.gz JJKKYPQHPYWKSU-JOCQHMNTSA-N 2 0 281.400 -0.051 20 0 CBADRP C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)CC(N)=O ZINC001316839487 816888947 /nfs/dbraw/zinc/88/89/47/816888947.db2.gz DKHZZGMMTFJXEF-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)Cn1ccnc1C ZINC001316866153 816895078 /nfs/dbraw/zinc/89/50/78/816895078.db2.gz XKSRIRZCZNMRCP-LLVKDONJSA-N 2 0 295.387 -0.236 20 0 CBADRP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC(N)=O ZINC001316909928 816901918 /nfs/dbraw/zinc/90/19/18/816901918.db2.gz WXSGJLZDVAAXLB-NSHDSACASA-N 2 0 270.377 -0.748 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCOCCO)C1 ZINC001316939781 816904446 /nfs/dbraw/zinc/90/44/46/816904446.db2.gz ARXSKVTWVQCJMO-UONOGXRCSA-N 2 0 299.415 -0.330 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]CCO)C2CC2)C1 ZINC001317035301 816923331 /nfs/dbraw/zinc/92/33/31/816923331.db2.gz SSSIAXZBPPNJIP-RYUDHWBXSA-N 2 0 255.362 -0.585 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOCCO)C1 ZINC001317072187 816928450 /nfs/dbraw/zinc/92/84/50/816928450.db2.gz FFISQKFVUUGFPU-JHJVBQTASA-N 2 0 285.388 -0.674 20 0 CBADRP COCCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001317125908 816935874 /nfs/dbraw/zinc/93/58/74/816935874.db2.gz FKGPSFSGBVNRMC-MELADBBJSA-N 2 0 299.415 -0.162 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)CCO)C1 ZINC001317377548 816968589 /nfs/dbraw/zinc/96/85/89/816968589.db2.gz DDZKRXCVZQLEFF-LBPRGKRZSA-N 2 0 257.378 -0.147 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCO ZINC001317393167 816971065 /nfs/dbraw/zinc/97/10/65/816971065.db2.gz NHWKTVKUEVFUOA-QJPTWQEYSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCO ZINC001317407955 816973692 /nfs/dbraw/zinc/97/36/92/816973692.db2.gz ZUTXBIZZPSODCL-NWDGAFQWSA-N 2 0 257.378 -0.195 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[NH+]2CCO)C1 ZINC001317511454 817000133 /nfs/dbraw/zinc/00/01/33/817000133.db2.gz ASXKXQBYCJCJFN-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001317599352 817026387 /nfs/dbraw/zinc/02/63/87/817026387.db2.gz SFQVMPBHAJSLHV-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP CN(CC[NH2+]CCn1cncn1)C(=O)C1(C[NH+](C)C)CC1 ZINC001317621865 817031918 /nfs/dbraw/zinc/03/19/18/817031918.db2.gz AJKGPQOQLQKADP-UHFFFAOYSA-N 2 0 294.403 -0.332 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CCCO)C1 ZINC001317625812 817033740 /nfs/dbraw/zinc/03/37/40/817033740.db2.gz JPARDTDZQLTWNI-GFCCVEGCSA-N 2 0 257.378 -0.241 20 0 CBADRP C[C@H](O)C[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317652739 817040238 /nfs/dbraw/zinc/04/02/38/817040238.db2.gz CNXSITRJOGDQSV-NWDGAFQWSA-N 2 0 257.378 -0.243 20 0 CBADRP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CCOCCO)C1 ZINC001318422687 817108710 /nfs/dbraw/zinc/10/87/10/817108710.db2.gz AGCJZOMDPPDRGN-CYBMUJFWSA-N 2 0 287.404 -0.520 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]CCO ZINC001319190037 817174451 /nfs/dbraw/zinc/17/44/51/817174451.db2.gz RPKSZXKTHGTEHS-AAEUAGOBSA-N 2 0 269.389 -0.338 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C)C(N)=O ZINC001319237728 817179388 /nfs/dbraw/zinc/17/93/88/817179388.db2.gz HBHBHWZYADWODF-NXEZZACHSA-N 2 0 258.366 -0.846 20 0 CBADRP C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)C[NH2+]CCO ZINC001319260201 817182424 /nfs/dbraw/zinc/18/24/24/817182424.db2.gz XEKUPOYRRQADFH-GFCCVEGCSA-N 2 0 287.404 -0.569 20 0 CBADRP C[C@H](C[NH2+]CCO)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001319460364 817208076 /nfs/dbraw/zinc/20/80/76/817208076.db2.gz KTLSDHDZPNQGAF-DGCLKSJQSA-N 2 0 269.389 -0.243 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]CCOC)CC[N@@H+]1C ZINC001320230523 817300501 /nfs/dbraw/zinc/30/05/01/817300501.db2.gz KDCRRSHCZVKEJM-FRRDWIJNSA-N 2 0 287.404 -0.570 20 0 CBADRP CC[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001320236928 817301182 /nfs/dbraw/zinc/30/11/82/817301182.db2.gz DQNBGCAETFUNIT-LBPRGKRZSA-N 2 0 269.389 -0.051 20 0 CBADRP CCC[NH2+]C[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001320265503 817308133 /nfs/dbraw/zinc/30/81/33/817308133.db2.gz XBLMNLHHRDHIJA-NSHDSACASA-N 2 0 257.378 -0.195 20 0 CBADRP COCCC[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001320295647 817317105 /nfs/dbraw/zinc/31/71/05/817317105.db2.gz LJAFHPGZDQKWMT-GFCCVEGCSA-N 2 0 285.388 -0.815 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]CCn1cccn1 ZINC001320312532 817319280 /nfs/dbraw/zinc/31/92/80/817319280.db2.gz HKTGVYNNGNDYPS-ZDUSSCGKSA-N 2 0 295.387 -0.954 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC2CCC2)C1 ZINC001320311571 817319817 /nfs/dbraw/zinc/31/98/17/817319817.db2.gz FCWKBMTWJGPLMW-STQMWFEESA-N 2 0 269.389 -0.195 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC2CCC2)C1 ZINC001320311570 817320132 /nfs/dbraw/zinc/32/01/32/817320132.db2.gz FCWKBMTWJGPLMW-QWHCGFSZSA-N 2 0 269.389 -0.195 20 0 CBADRP CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001320640612 817365749 /nfs/dbraw/zinc/36/57/49/817365749.db2.gz RYRHESVBHFOJQQ-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP C[C@@H](CC[NH2+]Cc1ncnn1C)NC(=O)C[NH+]1CCCC1 ZINC001320641642 817366649 /nfs/dbraw/zinc/36/66/49/817366649.db2.gz YRVNJFUNKXWPMY-LBPRGKRZSA-N 2 0 294.403 -0.105 20 0 CBADRP CCN(CC[NH2+]CC(N)=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001320755660 817387067 /nfs/dbraw/zinc/38/70/67/817387067.db2.gz KVDURXQDTXRYMV-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP CCN(CC[NH2+]CC(N)=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001320810923 817396702 /nfs/dbraw/zinc/39/67/02/817396702.db2.gz GQRUSWUCWJLCLR-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP CCN(CC[NH2+]CC(=O)NC)C(=O)CC[NH+](C)C ZINC001320830388 817399501 /nfs/dbraw/zinc/39/95/01/817399501.db2.gz NQCISJJNOZAPMV-UHFFFAOYSA-N 2 0 258.366 -0.878 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)C(N)=O ZINC001321057606 817436880 /nfs/dbraw/zinc/43/68/80/817436880.db2.gz QUDQUXKDJQFHSN-WWKJKZQJSA-N 2 0 296.415 -0.005 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)C(N)=O ZINC001321057603 817436912 /nfs/dbraw/zinc/43/69/12/817436912.db2.gz QUDQUXKDJQFHSN-AIMRDXAKSA-N 2 0 296.415 -0.005 20 0 CBADRP C[C@H](O)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001321065171 817437978 /nfs/dbraw/zinc/43/79/78/817437978.db2.gz RFUUWJHITIGEBN-SZESAMFPSA-N 2 0 281.400 -0.029 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)CC[NH+](C)C ZINC001321220709 817464185 /nfs/dbraw/zinc/46/41/85/817464185.db2.gz CCJFXVZYMXOVFB-GZTOBOFZSA-N 2 0 270.377 -0.665 20 0 CBADRP C[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CC(N)=O)CC1 ZINC001321221352 817464492 /nfs/dbraw/zinc/46/44/92/817464492.db2.gz GJXAQZFYBDDODA-IHWYPQMZSA-N 2 0 268.361 -0.925 20 0 CBADRP CC(C)[C@H](C(=O)NC/C=C\C[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001321349736 817487219 /nfs/dbraw/zinc/48/72/19/817487219.db2.gz KZNDDUYWWQAURQ-QHDQMSKJSA-N 2 0 284.404 -0.292 20 0 CBADRP COCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001321393690 817493766 /nfs/dbraw/zinc/49/37/66/817493766.db2.gz UJTJGDCEFMKREE-AAOUONPWSA-N 2 0 255.362 -0.154 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)C(N)=O ZINC001321418827 817496644 /nfs/dbraw/zinc/49/66/44/817496644.db2.gz JVEWGQKLGVUQOS-JQSFKPKSSA-N 2 0 296.415 -0.003 20 0 CBADRP [NH3+]CCS(=O)(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001238485096 825555048 /nfs/dbraw/zinc/55/50/48/825555048.db2.gz KPTGMIHXXZVCCS-QWRGUYRKSA-N 2 0 261.391 -0.213 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001163821798 819853521 /nfs/dbraw/zinc/85/35/21/819853521.db2.gz QFNCIBOJCDTVGF-NSHDSACASA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@H]([NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001163822087 819853917 /nfs/dbraw/zinc/85/39/17/819853917.db2.gz RTASLVNNKIDFAS-RYUDHWBXSA-N 2 0 296.415 -0.170 20 0 CBADRP Cc1cc(N(CC[NH3+])CCO)nc2c1C[NH2+]CC2 ZINC001163827322 819854250 /nfs/dbraw/zinc/85/42/50/819854250.db2.gz FZDIVGMITGZURQ-UHFFFAOYSA-N 2 0 250.346 -0.207 20 0 CBADRP [NH3+]CCN(CCO)c1ccc2c([C@H]3CCC[NH2+]3)nnn2c1 ZINC001163831496 819855960 /nfs/dbraw/zinc/85/59/60/819855960.db2.gz CHASQQXDRRSOMS-GFCCVEGCSA-N 2 0 290.371 -0.089 20 0 CBADRP [NH3+]CCN(CCO)c1ncccc1N1CC[NH2+]CC1 ZINC001163829879 819856912 /nfs/dbraw/zinc/85/69/12/819856912.db2.gz GZTRLSHEJJEFPU-UHFFFAOYSA-N 2 0 265.361 -0.751 20 0 CBADRP [NH3+]CCN(CCO)c1ccc(OC2C[NH2+]C2)cn1 ZINC001163836282 819857540 /nfs/dbraw/zinc/85/75/40/819857540.db2.gz REPLXCZTUYLBBQ-UHFFFAOYSA-N 2 0 252.318 -0.810 20 0 CBADRP COC(=O)[C@@H](C[NH3+])Cc1ccc(N(CC[NH3+])CCO)cc1 ZINC001163836632 819857622 /nfs/dbraw/zinc/85/76/22/819857622.db2.gz XNNQQVVGUFOXET-CYBMUJFWSA-N 2 0 295.383 -0.266 20 0 CBADRP C[NH+](C)C1CN(c2ccc(N3CC[NH2+]CC3)nn2)C1 ZINC001163933297 819870037 /nfs/dbraw/zinc/87/00/37/819870037.db2.gz DOMURMBOCDMYLO-UHFFFAOYSA-N 2 0 262.361 -0.364 20 0 CBADRP [NH3+][C@H]1CCN(c2cncc(N3CCC([NH3+])CC3)n2)C1 ZINC001164277601 819895693 /nfs/dbraw/zinc/89/56/93/819895693.db2.gz AJHPKZFXZPNDDW-NSHDSACASA-N 2 0 262.361 -0.059 20 0 CBADRP CN(c1ccccc1CC[NH3+])S(=O)(=O)CC[NH3+] ZINC001164297020 819903856 /nfs/dbraw/zinc/90/38/56/819903856.db2.gz HGPZEGVGLDTOBO-UHFFFAOYSA-N 2 0 257.359 -0.088 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+]CC(=O)NC)C1 ZINC001164449297 819913048 /nfs/dbraw/zinc/91/30/48/819913048.db2.gz HDJDEVKJXKZYMP-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP C[NH+]1CCN(c2ccc(N3C[C@@H]([NH3+])[C@H](F)C3)nn2)CC1 ZINC001165120048 819939295 /nfs/dbraw/zinc/93/92/95/819939295.db2.gz QEKCEJGUHDSEPO-GHMZBOCLSA-N 2 0 280.351 -0.286 20 0 CBADRP Nc1cc[nH+]c(N2CC(=O)NC3(CC[NH2+]CC3)C2)c1 ZINC001165252454 819944436 /nfs/dbraw/zinc/94/44/36/819944436.db2.gz GYLDLMKWCBLBDM-UHFFFAOYSA-N 2 0 261.329 -0.278 20 0 CBADRP CCCNC(=O)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165253521 819944535 /nfs/dbraw/zinc/94/45/35/819944535.db2.gz IBSFZQXHEQISCN-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)c1occc1C[NH+](C)C)C(N)=O ZINC001165246014 819944734 /nfs/dbraw/zinc/94/47/34/819944734.db2.gz KNGDRQIDYWIBHP-JTQLQIEISA-N 2 0 296.371 -0.076 20 0 CBADRP C[NH+](C)CC1(C(=O)NCCC[NH2+][C@H]2CCNC2=O)CC1 ZINC001165255352 819944752 /nfs/dbraw/zinc/94/47/52/819944752.db2.gz ZFQBRUMUCGKALC-NSHDSACASA-N 2 0 282.388 -0.687 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)c1occc1C[NH+](C)C ZINC001165245696 819945185 /nfs/dbraw/zinc/94/51/85/819945185.db2.gz BXHZGDBTHKJQGL-UHFFFAOYSA-N 2 0 296.371 -0.203 20 0 CBADRP OC[C@@]12C[NH2+]C[C@@H]1CN(c1ccc3c(n1)CC[NH2+]C3)C2 ZINC001165282301 819946304 /nfs/dbraw/zinc/94/63/04/819946304.db2.gz XZGVMZAXIQVDPV-DOMZBBRYSA-N 2 0 274.368 -0.255 20 0 CBADRP c1nc2c(c(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)n1)CC[NH2+]CC2 ZINC001165269895 819946935 /nfs/dbraw/zinc/94/69/35/819946935.db2.gz SXQLBXQTHANPQD-KBPBESRZSA-N 2 0 289.383 -0.268 20 0 CBADRP Cc1cnc(N2CCOCC23C[NH2+]C3)nc1C1C[NH2+]C1 ZINC001165286802 819949441 /nfs/dbraw/zinc/94/94/41/819949441.db2.gz KRXWZYGMGOKTBT-UHFFFAOYSA-N 2 0 275.356 -0.350 20 0 CBADRP O=C1NCCN(c2ccc3c(n2)CC[NH2+]C3)C12C[NH2+]C2 ZINC001165298590 819952864 /nfs/dbraw/zinc/95/28/64/819952864.db2.gz YZZJPWRHFVYLFC-UHFFFAOYSA-N 2 0 273.340 -0.995 20 0 CBADRP Cn1cc(C[NH2+]CCCNC(=O)CCC[NH+](C)C)nn1 ZINC001165359546 819956912 /nfs/dbraw/zinc/95/69/12/819956912.db2.gz DTGYSEBNHQIGEX-UHFFFAOYSA-N 2 0 282.392 -0.247 20 0 CBADRP C[NH+](C)CCCC(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001165360742 819957216 /nfs/dbraw/zinc/95/72/16/819957216.db2.gz QZZRXNVGJABANX-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165360792 819957235 /nfs/dbraw/zinc/95/72/35/819957235.db2.gz SKBZMCFMPQQICK-GFCCVEGCSA-N 2 0 275.393 -0.569 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165366943 819958486 /nfs/dbraw/zinc/95/84/86/819958486.db2.gz IKECLNJMKXYWIB-UHFFFAOYSA-N 2 0 286.420 -0.051 20 0 CBADRP C[NH+](C)CCCC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001165367487 819958523 /nfs/dbraw/zinc/95/85/23/819958523.db2.gz WNTCOQQDPONDDK-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP [NH3+][C@H]1[C@H]2CN(c3ncccc3C(=O)N3CC[NH2+]CC3)C[C@@H]12 ZINC001165382348 819958998 /nfs/dbraw/zinc/95/89/98/819958998.db2.gz NHHFPCIESLIGKP-CLLJXQQHSA-N 2 0 287.367 -0.480 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1c1ncc2c(n1)CC[NH2+]C2 ZINC001165437286 819961341 /nfs/dbraw/zinc/96/13/41/819961341.db2.gz QKXMQRFAORFRRL-NSHDSACASA-N 2 0 277.328 -0.927 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1c1cc2c(nn1)CC[NH2+]C2 ZINC001165439906 819963794 /nfs/dbraw/zinc/96/37/94/819963794.db2.gz VFHXLHZVVLQAOU-NSHDSACASA-N 2 0 277.328 -0.927 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1c1ncc2c(n1)C[NH2+]C2 ZINC001165438095 819964303 /nfs/dbraw/zinc/96/43/03/819964303.db2.gz COZNWBDMENBZRW-JTQLQIEISA-N 2 0 263.301 -0.969 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCN1c1ncc(C)c(C2C[NH2+]C2)n1 ZINC001165443355 819965744 /nfs/dbraw/zinc/96/57/44/819965744.db2.gz TWRQYWQYCGSYQW-LLVKDONJSA-N 2 0 291.355 -0.577 20 0 CBADRP Cn1cc(C[NH2+]CCCNC(=O)C2CC[NH+](C)CC2)nn1 ZINC001165776442 819981512 /nfs/dbraw/zinc/98/15/12/819981512.db2.gz JAKLIAASVULUKF-UHFFFAOYSA-N 2 0 294.403 -0.247 20 0 CBADRP C[NH+]1CCC(C(=O)NCCC[NH2+][C@H]2CCNC2=O)CC1 ZINC001165776434 819982340 /nfs/dbraw/zinc/98/23/40/819982340.db2.gz IWHQTBXZTGWPHJ-LBPRGKRZSA-N 2 0 282.388 -0.687 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165772469 819982589 /nfs/dbraw/zinc/98/25/89/819982589.db2.gz RIYPYXOIUAUHTI-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP Cc1nnc(C[NH2+]CCCNC(=O)CC[NH+](C)C)[nH]1 ZINC001165781687 819983091 /nfs/dbraw/zinc/98/30/91/819983091.db2.gz XGHLGVFFPGMTCC-UHFFFAOYSA-N 2 0 268.365 -0.339 20 0 CBADRP Cc1nc(C)n(CC[NH2+]CCCNC(=O)CC[NH+](C)C)n1 ZINC001165794445 819983125 /nfs/dbraw/zinc/98/31/25/819983125.db2.gz WFIPYTLESZXEOO-UHFFFAOYSA-N 2 0 296.419 -0.057 20 0 CBADRP CCn1cc(C[NH2+]CCCNC(=O)CC[NH+](C)C)nn1 ZINC001165781033 819983188 /nfs/dbraw/zinc/98/31/88/819983188.db2.gz CVRJIBGOXDNPHL-UHFFFAOYSA-N 2 0 282.392 -0.154 20 0 CBADRP CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165794365 819983227 /nfs/dbraw/zinc/98/32/27/819983227.db2.gz TXDUDWLVECWLOG-GFCCVEGCSA-N 2 0 286.420 -0.051 20 0 CBADRP CCCCNC(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165793794 819983408 /nfs/dbraw/zinc/98/34/08/819983408.db2.gz AKMSDFHAEJXWGD-UHFFFAOYSA-N 2 0 286.420 -0.050 20 0 CBADRP CN1CCC[C@@H]([NH2+]CCCNC(=O)CC[NH+](C)C)C1=O ZINC001165793996 819983648 /nfs/dbraw/zinc/98/36/48/819983648.db2.gz GMGFNUUPQICPAX-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)CC[NH+](C)C)c1nncn1C ZINC001165780995 819983663 /nfs/dbraw/zinc/98/36/63/819983663.db2.gz BSFBGOYJVAIQHE-NSHDSACASA-N 2 0 282.392 -0.076 20 0 CBADRP CCCn1nnnc1C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165781351 819983810 /nfs/dbraw/zinc/98/38/10/819983810.db2.gz QJUIHYCPZCPVTA-UHFFFAOYSA-N 2 0 297.407 -0.369 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001165777804 819984053 /nfs/dbraw/zinc/98/40/53/819984053.db2.gz YBZHNYMZMFUHSF-SNVBAGLBSA-N 2 0 270.377 -0.702 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166004022 819988080 /nfs/dbraw/zinc/98/80/80/819988080.db2.gz BSDHIYVLVLDDHT-GFCCVEGCSA-N 2 0 272.393 -0.586 20 0 CBADRP CC(C)[C@H](C(=O)NCCC[NH2+]Cc1nncn1C)[NH+](C)C ZINC001166004361 819988374 /nfs/dbraw/zinc/98/83/74/819988374.db2.gz NJQVUKIGRHRWEL-CYBMUJFWSA-N 2 0 296.419 -0.003 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001166633679 820009030 /nfs/dbraw/zinc/00/90/30/820009030.db2.gz JIYMUSPCSDDUFO-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001166634174 820009188 /nfs/dbraw/zinc/00/91/88/820009188.db2.gz PZHMJVNTLFLRJY-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C)C(N)=O ZINC001166626638 820009915 /nfs/dbraw/zinc/00/99/15/820009915.db2.gz IIHLMDGGQTZEEQ-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C)C(N)=O ZINC001166626164 820010616 /nfs/dbraw/zinc/01/06/16/820010616.db2.gz BVDLXVPFDQPSND-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP [NH3+]C1CCN(c2ccc(N3CC[NH2+]CC3)nn2)CC1 ZINC001166661682 820012270 /nfs/dbraw/zinc/01/22/70/820012270.db2.gz OGXKEVRCJLFGOK-UHFFFAOYSA-N 2 0 262.361 -0.186 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)N(C)C)C1 ZINC001166668251 820013033 /nfs/dbraw/zinc/01/30/33/820013033.db2.gz WVKIGCFPSCRDAB-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166678136 820013190 /nfs/dbraw/zinc/01/31/90/820013190.db2.gz SWAWYXZQWSGAAD-STQMWFEESA-N 2 0 287.404 -0.569 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]Cc2cnnn2C)C1 ZINC001166667473 820013844 /nfs/dbraw/zinc/01/38/44/820013844.db2.gz BRQDTGUDKZHSQV-LBPRGKRZSA-N 2 0 294.403 -0.247 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001166694002 820016107 /nfs/dbraw/zinc/01/61/07/820016107.db2.gz UNHMXORFNSQKJM-AAEUAGOBSA-N 2 0 294.403 -0.391 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001166690571 820016295 /nfs/dbraw/zinc/01/62/95/820016295.db2.gz DFYQQELNQIGOEW-NWDGAFQWSA-N 2 0 284.404 -0.632 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1nncn1C ZINC001166708103 820018035 /nfs/dbraw/zinc/01/80/35/820018035.db2.gz MCELQZBJRSAYND-RYUDHWBXSA-N 2 0 294.403 -0.391 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166708588 820018727 /nfs/dbraw/zinc/01/87/27/820018727.db2.gz UKPSFJFPOYUHJI-NWDGAFQWSA-N 2 0 284.404 -0.584 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166707958 820018784 /nfs/dbraw/zinc/01/87/84/820018784.db2.gz KSQISNQKSQAYJU-CHWSQXEVSA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1cnnn1C ZINC001166708641 820019379 /nfs/dbraw/zinc/01/93/79/820019379.db2.gz VLMIJRITPMPCQC-WCQYABFASA-N 2 0 294.403 -0.391 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166708590 820019943 /nfs/dbraw/zinc/01/99/43/820019943.db2.gz UKPSFJFPOYUHJI-VXGBXAGGSA-N 2 0 284.404 -0.584 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)NCCC[NH2+]CCO)C1 ZINC001166736750 820033392 /nfs/dbraw/zinc/03/33/92/820033392.db2.gz SMQHOANNZANGQM-UHFFFAOYSA-N 2 0 257.378 -0.194 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001166765158 820034422 /nfs/dbraw/zinc/03/44/22/820034422.db2.gz UZKIMYISIJDHMW-UHFFFAOYSA-N 2 0 270.377 -0.701 20 0 CBADRP Cc1cnc(N2C[C@@H]([NH3+])[C@@H](F)C2)nc1C1C[NH2+]C1 ZINC001166930001 820046343 /nfs/dbraw/zinc/04/63/43/820046343.db2.gz YZUQXTIBBOVTFS-VHSXEESVSA-N 2 0 251.309 -0.043 20 0 CBADRP CC(C)[C@H](C(=O)NCCC1(C[NH2+]CC(N)=O)CC1)[NH+](C)C ZINC001167051615 820062676 /nfs/dbraw/zinc/06/26/76/820062676.db2.gz UYKGQJMBQUVHSC-CYBMUJFWSA-N 2 0 298.431 -0.066 20 0 CBADRP [NH3+][C@H]1CN(c2ccc(OCC3CC[NH2+]CC3)cn2)C[C@H]1O ZINC001167089872 820069793 /nfs/dbraw/zinc/06/97/93/820069793.db2.gz QJCWKHHIFMMACQ-UONOGXRCSA-N 2 0 292.383 -0.032 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+]CC(=O)NC)CC1 ZINC001167634384 820107545 /nfs/dbraw/zinc/10/75/45/820107545.db2.gz CZRVWDPSIDWEJK-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1-c1ccc2c(n1)OCC[NH2+]C2 ZINC001167671834 820109021 /nfs/dbraw/zinc/10/90/21/820109021.db2.gz CHHLTAFYGFPHCG-UHFFFAOYSA-N 2 0 286.339 -0.004 20 0 CBADRP NC(=O)C[NH2+]CC1(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001167746449 820113306 /nfs/dbraw/zinc/11/33/06/820113306.db2.gz NSCCPHPKJMUXRE-UHFFFAOYSA-N 2 0 294.399 -0.556 20 0 CBADRP O=C(NCCC1(C[NH2+]CCO)CC1)C12CC[NH+](CC1)C2 ZINC001167747893 820115259 /nfs/dbraw/zinc/11/52/59/820115259.db2.gz BUAVZIREFRCYDK-UHFFFAOYSA-N 2 0 281.400 -0.049 20 0 CBADRP [NH3+]CCc1nnn(-c2ccc3c([C@H]4CCC[NH2+]4)nnn3c2)n1 ZINC001167791358 820118933 /nfs/dbraw/zinc/11/89/33/820118933.db2.gz XQCKNVBJCDVCJB-SNVBAGLBSA-N 2 0 299.342 -0.369 20 0 CBADRP [NH3+]CCc1nnn(-c2ccc(CN3CC[NH2+]CC3)cc2)n1 ZINC001167791038 820119285 /nfs/dbraw/zinc/11/92/85/820119285.db2.gz PFNTZZRRBPJLLK-UHFFFAOYSA-N 2 0 287.371 -0.431 20 0 CBADRP C[S@](=O)c1ncc(NC(=[NH2+])NCCCC[NH3+])cn1 ZINC001167883337 820124770 /nfs/dbraw/zinc/12/47/70/820124770.db2.gz FWVKATZIZWYZSP-SFHVURJKSA-N 2 0 270.362 -0.111 20 0 CBADRP COc1c(NC(=[NH2+])NCCCC[NH3+])ncnc1C1C[NH2+]C1 ZINC001167880264 820125150 /nfs/dbraw/zinc/12/51/50/820125150.db2.gz FFWIBOZZIAQQJA-UHFFFAOYSA-N 3 0 293.375 -0.153 20 0 CBADRP COC(=O)[C@@H](CCC[NH3+])Nc1nccc(C2C[NH2+]C2)n1 ZINC001167898011 820126348 /nfs/dbraw/zinc/12/63/48/820126348.db2.gz PZZIFFFJQFXFLV-LLVKDONJSA-N 2 0 279.344 -0.144 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CCO1 ZINC001168091643 820143821 /nfs/dbraw/zinc/14/38/21/820143821.db2.gz AUNDNVKTWAODFJ-NXEZZACHSA-N 2 0 261.326 -0.308 20 0 CBADRP C[NH+](C)C1CCC([NH2+]CC(=O)NCC(N)=O)CC1 ZINC001168312496 820155917 /nfs/dbraw/zinc/15/59/17/820155917.db2.gz ZYUKUCMSLPNZDN-UHFFFAOYSA-N 2 0 256.350 -0.950 20 0 CBADRP O=C1CO[C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)CN1 ZINC001168359399 820159354 /nfs/dbraw/zinc/15/93/54/820159354.db2.gz ABEOKRRIPQKXIJ-ZDUSSCGKSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH+]1CCN(c2cc(-n3ccnc3C(N)=[NH2+])ncn2)CC1 ZINC001168412279 820159912 /nfs/dbraw/zinc/15/99/12/820159912.db2.gz WGQXSDVKDOCQII-UHFFFAOYSA-N 2 0 286.343 -0.302 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]Cc1nncn1C ZINC001168755070 820173659 /nfs/dbraw/zinc/17/36/59/820173659.db2.gz HHWZAKSDOWFROL-UHFFFAOYSA-N 2 0 282.392 -0.247 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)C[NH+](CC)CC ZINC001168755094 820174317 /nfs/dbraw/zinc/17/43/17/820174317.db2.gz ICBBZHJLUSBTAQ-UHFFFAOYSA-N 2 0 286.420 -0.098 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001168762752 820180282 /nfs/dbraw/zinc/18/02/82/820180282.db2.gz IEJCHLSVYYQPDC-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001168762755 820180834 /nfs/dbraw/zinc/18/08/34/820180834.db2.gz IEJCHLSVYYQPDC-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP [NH3+]Cc1nnnn1-c1cncc([C@@H]2C[NH+]3CCC2CC3)n1 ZINC001168920795 820192431 /nfs/dbraw/zinc/19/24/31/820192431.db2.gz KBMUYRUEXGBHAF-SNVBAGLBSA-N 2 0 286.343 -0.280 20 0 CBADRP [NH3+]CCc1cnn(-c2ccnc(N3CC[NH2+]CC3)n2)c1 ZINC001168948254 820196421 /nfs/dbraw/zinc/19/64/21/820196421.db2.gz KJHJXBLPCGANLL-UHFFFAOYSA-N 2 0 273.344 -0.427 20 0 CBADRP Cc1nc(CC[NH3+])nn1-c1ncnc2c1C[NH2+]CC2 ZINC001168983256 820198580 /nfs/dbraw/zinc/19/85/80/820198580.db2.gz LBQDQWLIJLGURG-UHFFFAOYSA-N 2 0 259.317 -0.487 20 0 CBADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N(C1C[NH2+]C1)S(C)(=O)=O)C2 ZINC001169146640 820212943 /nfs/dbraw/zinc/21/29/43/820212943.db2.gz QRKGFOHQYIPNDN-JGPRNRPPSA-N 2 0 273.402 -0.155 20 0 CBADRP CC[NH+]1CCC(NCCN(CC[NH3+])N(O)N=O)CC1 ZINC001169238896 820216643 /nfs/dbraw/zinc/21/66/43/820216643.db2.gz NXHCJCXZMFJFRT-UHFFFAOYSA-N 2 0 274.369 -0.391 20 0 CBADRP C[C@@H]1CN(c2ccc(-n3nncc3C[NH3+])nn2)CC[NH2+]1 ZINC001169307756 820226341 /nfs/dbraw/zinc/22/63/41/820226341.db2.gz CYBADVYSKSCCOE-SECBINFHSA-N 2 0 274.332 -0.686 20 0 CBADRP [NH3+]Cc1cnnn1-c1ccc(OCC[NH+]2CCCC2)nn1 ZINC001169308891 820226794 /nfs/dbraw/zinc/22/67/94/820226794.db2.gz UTMRZYOFARIUTC-UHFFFAOYSA-N 2 0 289.343 -0.009 20 0 CBADRP [NH3+]Cc1cnnn1-c1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001169310512 820227058 /nfs/dbraw/zinc/22/70/58/820227058.db2.gz ZNDARGHLRNCMEJ-JTQLQIEISA-N 2 0 261.289 -0.743 20 0 CBADRP CCOC(=O)[C@H]1CC[C@H](NC(=[NH2+])NCCCC[NH3+])CO1 ZINC001169321154 820230193 /nfs/dbraw/zinc/23/01/93/820230193.db2.gz LDXSZLVVKZBYDO-WDEREUQCSA-N 2 0 286.376 -0.050 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](C[NH3+])C(=O)OC)CO1 ZINC001169334485 820238921 /nfs/dbraw/zinc/23/89/21/820238921.db2.gz LGDRWCFWNRMPJH-DCAQKATOSA-N 2 0 288.344 -0.565 20 0 CBADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H](C[NH3+])C(=O)OC ZINC001169435723 820244977 /nfs/dbraw/zinc/24/49/77/820244977.db2.gz SNIASBBEBTYPFA-GHMZBOCLSA-N 2 0 273.377 -0.029 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(C(C)=O)C1 ZINC001169531537 820252152 /nfs/dbraw/zinc/25/21/52/820252152.db2.gz GTHKUEWFGRFOQA-NEPJUHHUSA-N 2 0 270.377 -0.560 20 0 CBADRP CC(=O)N1CCC[C@H]([NH+]2CCN(CC[NH3+])CC2)C1 ZINC001169577496 820256554 /nfs/dbraw/zinc/25/65/54/820256554.db2.gz QSNPGMZEBJNYJE-ZDUSSCGKSA-N 2 0 254.378 -0.426 20 0 CBADRP CC(=O)N1CCC[C@H]([NH+]2CCN(CCC[NH3+])CC2)C1 ZINC001169584261 820258165 /nfs/dbraw/zinc/25/81/65/820258165.db2.gz HWURCOIQLNKEAG-AWEZNQCLSA-N 2 0 268.405 -0.036 20 0 CBADRP CCOC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)C[NH3+])CC1 ZINC001169646356 820262649 /nfs/dbraw/zinc/26/26/49/820262649.db2.gz SKELVFFKJNCGMS-QWRGUYRKSA-N 2 0 259.350 -0.093 20 0 CBADRP C[C@@H]1CN(c2ccc(NC[C@@H]3COCC[NH2+]3)nn2)CC[NH2+]1 ZINC001170034367 820273804 /nfs/dbraw/zinc/27/38/04/820273804.db2.gz CCSRXMLQQFNDSM-VXGBXAGGSA-N 2 0 292.387 -0.325 20 0 CBADRP c1cnc(OC2C[NH2+]C2)c(NC[C@@H]2COCC[NH2+]2)c1 ZINC001170046150 820276280 /nfs/dbraw/zinc/27/62/80/820276280.db2.gz DWWSVONFLZAQMT-SNVBAGLBSA-N 2 0 264.329 -0.168 20 0 CBADRP c1nc(O[C@H]2CC[NH2+]C2)ncc1NC[C@H]1COCC[NH2+]1 ZINC001170044658 820276460 /nfs/dbraw/zinc/27/64/60/820276460.db2.gz NNRWGZYRWPERTC-RYUDHWBXSA-N 2 0 279.344 -0.382 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)C(=O)NC ZINC001170222938 820283184 /nfs/dbraw/zinc/28/31/84/820283184.db2.gz OGPAYVJCGLIZPA-NSHDSACASA-N 2 0 272.393 -0.441 20 0 CBADRP CN(CC[NH3+])CCNc1ncccc1N1CC[NH2+]CC1 ZINC001170499846 820296238 /nfs/dbraw/zinc/29/62/38/820296238.db2.gz XASXGOSTEJKJPP-UHFFFAOYSA-N 2 0 278.404 -0.206 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH+]2CCN(CC[NH3+])CC2)C1 ZINC001170510326 820296867 /nfs/dbraw/zinc/29/68/67/820296867.db2.gz UAKJIYKEOLAFOY-NEPJUHHUSA-N 2 0 255.362 -0.096 20 0 CBADRP CSc1nc(N[C@@H]2C[NH2+]C[C@@H]2CO)cc(C2C[NH2+]C2)n1 ZINC001170772205 820316688 /nfs/dbraw/zinc/31/66/88/820316688.db2.gz BNIRNFOUANRADC-MWLCHTKSSA-N 2 0 295.412 -0.123 20 0 CBADRP Cc1nc(N[C@H]2C[NH2+]C[C@H]2CO)cc(N2CCOCC2)[nH+]1 ZINC001170773303 820317242 /nfs/dbraw/zinc/31/72/42/820317242.db2.gz MDLABQSKMYGRTL-RYUDHWBXSA-N 2 0 293.371 -0.386 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@H]1Nc1ccc(O[C@H]2CCC[NH2+]C2)nn1 ZINC001170774832 820318027 /nfs/dbraw/zinc/31/80/27/820318027.db2.gz BZXXWLIBUBMKBK-SDDRHHMPSA-N 2 0 293.371 -0.400 20 0 CBADRP OC[C@H]1C[NH2+]C[C@@H]1Nc1cc[nH+]c(N2CCOCC2)c1 ZINC001170774204 820318376 /nfs/dbraw/zinc/31/83/76/820318376.db2.gz AJVDQRAJEZAOOX-YPMHNXCESA-N 2 0 278.356 -0.090 20 0 CBADRP COC(OC)c1c(C[NH3+])ccnc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170773625 820318477 /nfs/dbraw/zinc/31/84/77/820318477.db2.gz IEKVLASBJIYPLK-GHMZBOCLSA-N 2 0 296.371 -0.176 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@H]1Nc1ccc(N2CC[NH2+]CC2)nc1 ZINC001170777891 820320502 /nfs/dbraw/zinc/32/05/02/820320502.db2.gz FPQUBTBOGUHRJI-WCQYABFASA-N 2 0 277.372 -0.517 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@H]1Nc1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001170780235 820322879 /nfs/dbraw/zinc/32/28/79/820322879.db2.gz LUAKKYGWAAOTIC-MVWJERBFSA-N 2 0 279.344 -0.791 20 0 CBADRP C[NH+]1CCN(c2ccc(N[C@H]3C[NH2+]C[C@H]3CO)nc2)CC1 ZINC001170787890 820325002 /nfs/dbraw/zinc/32/50/02/820325002.db2.gz GQJMJWXWMGWQMH-JSGCOSHPSA-N 2 0 291.399 -0.174 20 0 CBADRP CC[C@]([NH3+])(CO)Nc1ncccc1N1CC[NH2+]CC1 ZINC001170859675 820327694 /nfs/dbraw/zinc/32/76/94/820327694.db2.gz QOXFOQFEZNWHDA-CYBMUJFWSA-N 2 0 265.361 -0.040 20 0 CBADRP CC[C@]([NH3+])(CO)Nc1cncc(N2CCC([NH3+])CC2)n1 ZINC001170857134 820329776 /nfs/dbraw/zinc/32/97/76/820329776.db2.gz CIQWYDMMEFNRLZ-CYBMUJFWSA-N 2 0 280.376 -0.127 20 0 CBADRP CC[C@@]([NH3+])(CO)Nc1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001170865247 820330994 /nfs/dbraw/zinc/33/09/94/820330994.db2.gz LDELOPRCELYJII-PWSUYJOCSA-N 2 0 267.333 -0.314 20 0 CBADRP COC(=O)c1nc(Cl)c(F)c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001170897347 820332319 /nfs/dbraw/zinc/33/23/19/820332319.db2.gz NHWHNIDFQPBVFQ-YFKPBYRVSA-N 2 0 291.714 -0.087 20 0 CBADRP NC(=O)c1c[nH]c2ncnc(N[C@@H]([NH3+])CCC[NH3+])c12 ZINC001170896328 820332691 /nfs/dbraw/zinc/33/26/91/820332691.db2.gz FEWMGABLUYIYBS-SSDOTTSWSA-N 2 0 263.305 -0.508 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1nccc(N2CC[NH2+]CC2)n1 ZINC001170894500 820332732 /nfs/dbraw/zinc/33/27/32/820332732.db2.gz ISOOTVXFMVPMBC-JTQLQIEISA-N 3 0 265.365 -0.678 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(N2CC[NH2+]CC2)nc1 ZINC001170898021 820333314 /nfs/dbraw/zinc/33/33/14/820333314.db2.gz BABCZYUUXIMWEF-LBPRGKRZSA-N 3 0 264.377 -0.073 20 0 CBADRP CN1CCN(c2nccnc2N[C@H]([NH3+])CCC[NH3+])CC1 ZINC001170898271 820333413 /nfs/dbraw/zinc/33/34/13/820333413.db2.gz ROGANJKOOYXOKV-NSHDSACASA-N 2 0 279.392 -0.336 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1nccnc1N1CC[NH2+]CC1 ZINC001170894559 820333685 /nfs/dbraw/zinc/33/36/85/820333685.db2.gz KQZYBHCGZBROFP-JTQLQIEISA-N 3 0 265.365 -0.678 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccnc(N2CCC([NH3+])CC2)n1 ZINC001170898900 820334513 /nfs/dbraw/zinc/33/45/13/820334513.db2.gz RQDLHFFIQAIQIR-NSHDSACASA-N 3 0 279.392 -0.160 20 0 CBADRP Cn1cc(Br)nc(N[C@@H]([NH3+])CCC[NH3+])c1=O ZINC001170900736 820334718 /nfs/dbraw/zinc/33/47/18/820334718.db2.gz XTUHWBRIBUYMEA-SSDOTTSWSA-N 2 0 290.165 -0.022 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001170899155 820334915 /nfs/dbraw/zinc/33/49/15/820334915.db2.gz IAGHUQUTCXMRPR-MNOVXSKESA-N 3 0 266.349 -0.347 20 0 CBADRP COCCn1cc(N[C@@H]([NH3+])CCC[NH3+])ncc1=O ZINC001170903229 820335928 /nfs/dbraw/zinc/33/59/28/820335928.db2.gz IDDUOPWQQSVOKR-SECBINFHSA-N 2 0 255.322 -0.675 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1ccnc(N2CCC([NH3+])CC2)n1 ZINC001170898899 820336016 /nfs/dbraw/zinc/33/60/16/820336016.db2.gz RQDLHFFIQAIQIR-LLVKDONJSA-N 3 0 279.392 -0.160 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1ncc2c(n1)OCC(=O)N2 ZINC001170900760 820336135 /nfs/dbraw/zinc/33/61/35/820336135.db2.gz XWZVFQKJXLWEAL-SSDOTTSWSA-N 2 0 252.278 -0.757 20 0 CBADRP CCOC(=O)CN(CC[NH3+])c1ncc2c(n1)C[NH2+]CC2 ZINC001170992891 820342261 /nfs/dbraw/zinc/34/22/61/820342261.db2.gz SOTNMJYNVYUWFB-UHFFFAOYSA-N 2 0 279.344 -0.550 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001171226951 820350005 /nfs/dbraw/zinc/35/00/05/820350005.db2.gz KVHMJIQBAGCVBS-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001171216360 820350416 /nfs/dbraw/zinc/35/04/16/820350416.db2.gz HDCZGNQHQLNYIW-OLZOCXBDSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H](O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171227296 820350560 /nfs/dbraw/zinc/35/05/60/820350560.db2.gz NIUHNJWMMIRZFW-VXGBXAGGSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001171228127 820351027 /nfs/dbraw/zinc/35/10/27/820351027.db2.gz SDDBKGCAAFYHAU-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001171216361 820351061 /nfs/dbraw/zinc/35/10/61/820351061.db2.gz HDCZGNQHQLNYIW-QWHCGFSZSA-N 2 0 296.415 -0.297 20 0 CBADRP Cn1cc(C[NH2+]CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)nn1 ZINC001171216400 820351833 /nfs/dbraw/zinc/35/18/33/820351833.db2.gz HYZRBYXGWCOPDM-LBPRGKRZSA-N 2 0 294.403 -0.247 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001171303230 820355784 /nfs/dbraw/zinc/35/57/84/820355784.db2.gz BKZXKZJMMPPHQR-SNVBAGLBSA-N 2 0 268.361 -0.948 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C ZINC001171294140 820356192 /nfs/dbraw/zinc/35/61/92/820356192.db2.gz QXCLZNZZZAUCMB-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP O=C(NCCC[NH2+]CCCO)C12CC[NH+](CC1)C2 ZINC001171293788 820357244 /nfs/dbraw/zinc/35/72/44/820357244.db2.gz MJEJTZHFIOQCJF-UHFFFAOYSA-N 2 0 255.362 -0.440 20 0 CBADRP O=C(NCCC[NH2+]CCn1cncn1)C12CC[NH+](CC1)C2 ZINC001171293267 820357525 /nfs/dbraw/zinc/35/75/25/820357525.db2.gz GKJOSUXDWAMCJV-UHFFFAOYSA-N 2 0 292.387 -0.530 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)NCCC[NH2+]CCO ZINC001171363341 820358421 /nfs/dbraw/zinc/35/84/21/820358421.db2.gz TXBLSJKGVQKPDF-UHFFFAOYSA-N 2 0 266.345 -0.151 20 0 CBADRP CN(C)C(=O)C[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171579244 820361838 /nfs/dbraw/zinc/36/18/38/820361838.db2.gz RNDFCQRKMOFKGB-UHFFFAOYSA-N 2 0 286.420 -0.098 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001171724957 820369044 /nfs/dbraw/zinc/36/90/44/820369044.db2.gz AIXGQOLWGXJDDD-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+][C@H](C)C(=O)NC ZINC001171731709 820371303 /nfs/dbraw/zinc/37/13/03/820371303.db2.gz MMMSWVIZTNJQND-GFCCVEGCSA-N 2 0 286.420 -0.051 20 0 CBADRP [NH3+]CCN1CC[NH+]([C@@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172005903 820374299 /nfs/dbraw/zinc/37/42/99/820374299.db2.gz PWWZGGMFTYWGFM-CYBMUJFWSA-N 2 0 266.389 -0.284 20 0 CBADRP CN(CC[NH3+])CC[NH2+][C@H]1CCN(C2CC2)C(=O)C1 ZINC001172014502 820375575 /nfs/dbraw/zinc/37/55/75/820375575.db2.gz XGYYTNQWCBOXPB-NSHDSACASA-N 2 0 254.378 -0.380 20 0 CBADRP CN1[C@H]2COC[C@@H]1CC([NH2+]CCC[N@H+](C)CCO)C2 ZINC001172134461 820383205 /nfs/dbraw/zinc/38/32/05/820383205.db2.gz NARRARJCOCEXBF-AGUYFDCRSA-N 2 0 271.405 -0.248 20 0 CBADRP CC[N@@H+]1CC[C@H](NC(=[NH2+])NCCC[C@H](N)C(=O)OC)C1 ZINC001173351521 820399941 /nfs/dbraw/zinc/39/99/41/820399941.db2.gz BRKGRMZNCFHRMR-QWRGUYRKSA-N 2 0 285.392 -0.525 20 0 CBADRP CCN1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)NC)C1 ZINC001173355490 820401260 /nfs/dbraw/zinc/40/12/60/820401260.db2.gz CFDYOSIFRIOKJC-NEPJUHHUSA-N 2 0 256.394 -0.086 20 0 CBADRP [NH3+]C[C@@H](O)C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC001173659010 820406901 /nfs/dbraw/zinc/40/69/01/820406901.db2.gz VPHHYFHIGQZKMU-SECBINFHSA-N 2 0 255.284 -0.078 20 0 CBADRP [NH3+]C[C@H](O)C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC001173659011 820407024 /nfs/dbraw/zinc/40/70/24/820407024.db2.gz VPHHYFHIGQZKMU-VIFPVBQESA-N 2 0 255.284 -0.078 20 0 CBADRP C[NH+]1CCN(CC[NH2+][C@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173730913 820409425 /nfs/dbraw/zinc/40/94/25/820409425.db2.gz QPEMEAHJLKKOON-KBPBESRZSA-N 2 0 293.419 -0.006 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CCN2CCNC2=O)C1 ZINC001176058064 820437681 /nfs/dbraw/zinc/43/76/81/820437681.db2.gz SXSNARCAAISLFJ-GFCCVEGCSA-N 2 0 297.403 -0.941 20 0 CBADRP CN1CCC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001176057814 820437716 /nfs/dbraw/zinc/43/77/16/820437716.db2.gz STUDFKMERNVMCM-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP Cc1nonc1C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176072553 820437781 /nfs/dbraw/zinc/43/77/81/820437781.db2.gz YAARTMHBZKXLAD-NSHDSACASA-N 2 0 281.360 -0.074 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176072569 820437898 /nfs/dbraw/zinc/43/78/98/820437898.db2.gz YTHVYWFSPKOJGH-GFCCVEGCSA-N 2 0 284.404 -0.441 20 0 CBADRP CN1CCC[C@H]([NH2+]CCCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001176057818 820438102 /nfs/dbraw/zinc/43/81/02/820438102.db2.gz STUDFKMERNVMCM-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001176071890 820438283 /nfs/dbraw/zinc/43/82/83/820438283.db2.gz KDDYKMYMXKDHGD-CYBMUJFWSA-N 2 0 296.415 -0.440 20 0 CBADRP CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001176058093 820438509 /nfs/dbraw/zinc/43/85/09/820438509.db2.gz UKDGYMOQZJVBTM-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176058642 820438768 /nfs/dbraw/zinc/43/87/68/820438768.db2.gz ZMJPOBIGZPLAOK-CYBMUJFWSA-N 2 0 298.431 -0.194 20 0 CBADRP Cn1ncc(C[NH2+]CCCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001176058421 820438809 /nfs/dbraw/zinc/43/88/09/820438809.db2.gz XEIPJLUAXANAJT-NSHDSACASA-N 2 0 280.376 -0.637 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001176071892 820439031 /nfs/dbraw/zinc/43/90/31/820439031.db2.gz KDDYKMYMXKDHGD-ZDUSSCGKSA-N 2 0 296.415 -0.440 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176095542 820440456 /nfs/dbraw/zinc/44/04/56/820440456.db2.gz FBYKKNHTMYRZDQ-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP Cn1cnnc1C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176096282 820440531 /nfs/dbraw/zinc/44/05/31/820440531.db2.gz OILDXVZRPZRQRF-UHFFFAOYSA-N 2 0 280.376 -0.493 20 0 CBADRP O=C(C[NH+]1CCCC1)NCCC[NH2+]CCn1cncn1 ZINC001176110020 820441921 /nfs/dbraw/zinc/44/19/21/820441921.db2.gz HODWFJDVOPBWGS-UHFFFAOYSA-N 2 0 280.376 -0.530 20 0 CBADRP C[C@@H](CCCC[NH2+]CCO)NC(=O)COCC[NH+](C)C ZINC001176166105 820442644 /nfs/dbraw/zinc/44/26/44/820442644.db2.gz PGVCXOKYUNHGFM-ZDUSSCGKSA-N 2 0 289.420 -0.179 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001176884929 820475221 /nfs/dbraw/zinc/47/52/21/820475221.db2.gz WGWHOTOUCDDFAM-GFCCVEGCSA-N 2 0 284.404 -0.168 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176880438 820475811 /nfs/dbraw/zinc/47/58/11/820475811.db2.gz XWIXDGZGCAIFEF-UHFFFAOYSA-N 2 0 284.404 -0.296 20 0 CBADRP NC(=O)C[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176930545 820481777 /nfs/dbraw/zinc/48/17/77/820481777.db2.gz LHKPWBRXOGBFIT-UHFFFAOYSA-N 2 0 270.377 -0.556 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CCOCCO ZINC001176972356 820484688 /nfs/dbraw/zinc/48/46/88/820484688.db2.gz XUNJZQOSMFQAGA-UHFFFAOYSA-N 2 0 275.393 -0.569 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176972269 820485123 /nfs/dbraw/zinc/48/51/23/820485123.db2.gz UGJWPODIWBSZAE-GFCCVEGCSA-N 2 0 275.393 -0.570 20 0 CBADRP CCCNC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176972390 820485236 /nfs/dbraw/zinc/48/52/36/820485236.db2.gz ZCMSZVAYKZTDGG-UHFFFAOYSA-N 2 0 286.420 -0.051 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC ZINC001176986249 820485301 /nfs/dbraw/zinc/48/53/01/820485301.db2.gz IVJNGCYUDCYTBO-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CN(C)[C@@H](C(=O)NCCC[NH2+]CC(N)=O)c1cccnc1 ZINC001177064452 820491424 /nfs/dbraw/zinc/49/14/24/820491424.db2.gz QMGAARGATYPSEK-CYBMUJFWSA-N 2 0 293.371 -0.735 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC001177182327 820497054 /nfs/dbraw/zinc/49/70/54/820497054.db2.gz ZEALUERAKGKTCP-SECBINFHSA-N 2 0 278.360 -0.024 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178356115 820577388 /nfs/dbraw/zinc/57/73/88/820577388.db2.gz IDFIBRJZRMZGSP-RWMBFGLXSA-N 2 0 296.415 -0.204 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178360846 820578863 /nfs/dbraw/zinc/57/88/63/820578863.db2.gz RFPNNGNPHIHYSV-XUXIUFHCSA-N 2 0 299.415 -0.333 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179435764 820626797 /nfs/dbraw/zinc/62/67/97/820626797.db2.gz VVQJXVUSRZHWAY-RYUDHWBXSA-N 2 0 269.389 -0.101 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179482482 820630429 /nfs/dbraw/zinc/63/04/29/820630429.db2.gz VCHRLCSCRIDQEG-XQQFMLRXSA-N 2 0 287.404 -0.476 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CC(N)=O ZINC001179587130 820635029 /nfs/dbraw/zinc/63/50/29/820635029.db2.gz WIFGLAAZBOBEEB-STQMWFEESA-N 2 0 298.431 -0.064 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124238 820650401 /nfs/dbraw/zinc/65/04/01/820650401.db2.gz GMSIVRYMPDBUFK-AVGNSLFASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001180123851 820651038 /nfs/dbraw/zinc/65/10/38/820651038.db2.gz DATVSHJVMNLZKG-MJBXVCDLSA-N 2 0 299.415 -0.474 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180135934 820651499 /nfs/dbraw/zinc/65/14/99/820651499.db2.gz OLFLXGXWTRWLFQ-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[NH+]1CCN(CC(=O)NC(=N)SCC[NH3+])CC1 ZINC001180349954 820670124 /nfs/dbraw/zinc/67/01/24/820670124.db2.gz ZHTKLGWYJQPXLQ-UHFFFAOYSA-N 2 0 287.433 -0.245 20 0 CBADRP C[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)[NH+]1CCCC1 ZINC001180586998 820697137 /nfs/dbraw/zinc/69/71/37/820697137.db2.gz WWCATSQUJFRMJT-SNVBAGLBSA-N 2 0 288.352 -0.865 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCC(C(N)=O)CC2)C1 ZINC001180612509 820700175 /nfs/dbraw/zinc/70/01/75/820700175.db2.gz PWVMFXUTNZIZHQ-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CCNC(=O)C1CC1 ZINC001180854921 820733426 /nfs/dbraw/zinc/73/34/26/820733426.db2.gz UGDNWEYDJYOVJI-UHFFFAOYSA-N 2 0 269.349 -0.636 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001181651727 820807921 /nfs/dbraw/zinc/80/79/21/820807921.db2.gz FXQJTZSTQLKTCT-CHWSQXEVSA-N 2 0 294.399 -0.450 20 0 CBADRP C[NH+]1CCC(CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001182015655 820848257 /nfs/dbraw/zinc/84/82/57/820848257.db2.gz OZDLLGACJYJXNP-ZDUSSCGKSA-N 2 0 281.400 -0.099 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1COC(=O)[C@H]1C ZINC001182091965 820869652 /nfs/dbraw/zinc/86/96/52/820869652.db2.gz IZSAXUNTXWOBGG-VHSXEESVSA-N 2 0 284.360 -0.141 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@@H]1C(N)=O ZINC001182377282 820904684 /nfs/dbraw/zinc/90/46/84/820904684.db2.gz PSHYXHHJXIHSGI-STQMWFEESA-N 2 0 298.431 -0.160 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]1CC(=O)N(CC2CC2)C1 ZINC001182460322 820921049 /nfs/dbraw/zinc/92/10/49/820921049.db2.gz VJEXBUYITGTAGO-LLVKDONJSA-N 2 0 295.387 -0.294 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001182486492 820924457 /nfs/dbraw/zinc/92/44/57/820924457.db2.gz PBGRTWRIPROVRX-BXUZGUMPSA-N 2 0 284.404 -0.502 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1)C1CC1 ZINC001183267836 820985989 /nfs/dbraw/zinc/98/59/89/820985989.db2.gz ONGSBFGTQTUPCS-ZIAGYGMSSA-N 2 0 299.415 -0.474 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001183289420 820989940 /nfs/dbraw/zinc/98/99/40/820989940.db2.gz XFFJDMIUEKEEEC-GFCCVEGCSA-N 2 0 296.415 -0.251 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001183289461 820990081 /nfs/dbraw/zinc/99/00/81/820990081.db2.gz YURGNVBOSSFAGZ-OCCSQVGLSA-N 2 0 299.415 -0.332 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001183373692 820991340 /nfs/dbraw/zinc/99/13/40/820991340.db2.gz DCZOLLYZXLKNQT-PHIMTYICSA-N 2 0 271.361 -0.323 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001183411206 820993160 /nfs/dbraw/zinc/99/31/60/820993160.db2.gz YTEGARKTHGLDHM-TYNCELHUSA-N 2 0 296.415 -0.502 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001183582374 821007208 /nfs/dbraw/zinc/00/72/08/821007208.db2.gz WRCSFPHQAGPACT-JHJVBQTASA-N 2 0 298.431 -0.006 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COC)C1)[NH+](C)C ZINC001183580992 821007852 /nfs/dbraw/zinc/00/78/52/821007852.db2.gz CEERSULUDJUWBI-JHJVBQTASA-N 2 0 287.404 -0.476 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001183582375 821008245 /nfs/dbraw/zinc/00/82/45/821008245.db2.gz WRCSFPHQAGPACT-YNEHKIRRSA-N 2 0 298.431 -0.006 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(=O)N(C)C ZINC001184868401 821091338 /nfs/dbraw/zinc/09/13/38/821091338.db2.gz RPCFZCYUZVLNAX-YNEHKIRRSA-N 2 0 296.415 -0.252 20 0 CBADRP C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185230617 821104454 /nfs/dbraw/zinc/10/44/54/821104454.db2.gz WZXVLKRSDKBJOM-NWDGAFQWSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001185249061 821111934 /nfs/dbraw/zinc/11/19/34/821111934.db2.gz MNJYNCGXYIIQPW-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001185257930 821114792 /nfs/dbraw/zinc/11/47/92/821114792.db2.gz NXSVPVCWNYPIJR-MCIONIFRSA-N 2 0 280.416 -0.215 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)NCC[C@H]1CCC[NH+]1C ZINC001185262387 821117012 /nfs/dbraw/zinc/11/70/12/821117012.db2.gz NKWZUDFSSTWHCG-CHWSQXEVSA-N 2 0 268.405 -0.167 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)NC[C@@H]1CC[NH+](C)C1 ZINC001185269506 821121037 /nfs/dbraw/zinc/12/10/37/821121037.db2.gz OOODKHZOQLJSTJ-NWDGAFQWSA-N 2 0 254.378 -0.700 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N[C@]1(C)CCC[NH+](C)C1 ZINC001185268593 821121662 /nfs/dbraw/zinc/12/16/62/821121662.db2.gz DTJIODRCVPSIHM-GXTWGEPZSA-N 2 0 268.405 -0.167 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N[C@@]1(C)CCC[NH+](C)C1 ZINC001185268595 821121916 /nfs/dbraw/zinc/12/19/16/821121916.db2.gz DTJIODRCVPSIHM-OCCSQVGLSA-N 2 0 268.405 -0.167 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185385200 821127307 /nfs/dbraw/zinc/12/73/07/821127307.db2.gz MDGBIIXRIWTKBG-CYBMUJFWSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001185408396 821129466 /nfs/dbraw/zinc/12/94/66/821129466.db2.gz RMOAPODHEGMDSO-LLVKDONJSA-N 2 0 291.417 -0.827 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1)[NH+](CC)CC ZINC001185609570 821135522 /nfs/dbraw/zinc/13/55/22/821135522.db2.gz KWGBPWCSRGTKEO-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001185650081 821136181 /nfs/dbraw/zinc/13/61/81/821136181.db2.gz BXKXVMPBYKAJGS-BFHYXJOUSA-N 2 0 299.415 -0.332 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001185650082 821137353 /nfs/dbraw/zinc/13/73/53/821137353.db2.gz BXKXVMPBYKAJGS-MCIONIFRSA-N 2 0 299.415 -0.332 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001185659688 821138785 /nfs/dbraw/zinc/13/87/85/821138785.db2.gz OJWVAXVFYJOHAJ-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001185715589 821140898 /nfs/dbraw/zinc/14/08/98/821140898.db2.gz FZHXWCOSVWRVJT-NEPJUHHUSA-N 2 0 284.404 -0.395 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001186487206 821184186 /nfs/dbraw/zinc/18/41/86/821184186.db2.gz IHLLEKHPWLKUIF-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001186497007 821185762 /nfs/dbraw/zinc/18/57/62/821185762.db2.gz WOWVMMDAPZVJHA-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121051 821211808 /nfs/dbraw/zinc/21/18/08/821211808.db2.gz AKSLKSBHISZNDT-NWDGAFQWSA-N 2 0 294.399 -0.593 20 0 CBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001187106536 821212586 /nfs/dbraw/zinc/21/25/86/821212586.db2.gz JUWBSHODSPBDJG-GFCCVEGCSA-N 2 0 273.377 -0.863 20 0 CBADRP O=C(N1CC[C@@H]([NH2+]CCOCCO)C1)C12CC[NH+](CC1)C2 ZINC001187122681 821213855 /nfs/dbraw/zinc/21/38/55/821213855.db2.gz YOPIRGBWZKBAMT-CYBMUJFWSA-N 2 0 297.399 -0.718 20 0 CBADRP C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187121274 821214156 /nfs/dbraw/zinc/21/41/56/821214156.db2.gz GNTUWLHJEPGPEJ-NWDGAFQWSA-N 2 0 273.377 -0.864 20 0 CBADRP C[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])N1CCOCC1 ZINC001187170924 821215671 /nfs/dbraw/zinc/21/56/71/821215671.db2.gz AJGTYIIBKJGMSU-JTQLQIEISA-N 2 0 271.365 -0.832 20 0 CBADRP C[N@H+](CC(=O)N1CCO[C@H](C[NH2+]CCCO)C1)C1CCC1 ZINC001280595721 828364106 /nfs/dbraw/zinc/36/41/06/828364106.db2.gz OQHHQMBYFXWBAH-CQSZACIVSA-N 2 0 299.415 -0.330 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+]CCCO)C1 ZINC001280679587 828370809 /nfs/dbraw/zinc/37/08/09/828370809.db2.gz DIZVZDRCJKNCGE-CYBMUJFWSA-N 2 0 287.404 -0.474 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]CCCO)C1 ZINC001280679589 828371090 /nfs/dbraw/zinc/37/10/90/828371090.db2.gz DIZVZDRCJKNCGE-ZDUSSCGKSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CN1CCC(=O)C1 ZINC001187337439 822270493 /nfs/dbraw/zinc/27/04/93/822270493.db2.gz MDAHDUKFWARLOV-UHFFFAOYSA-N 2 0 283.376 -0.675 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1n[nH]nc1C(F)(F)F ZINC001187770571 822293596 /nfs/dbraw/zinc/29/35/96/822293596.db2.gz NOCFWDLFFFPNPG-UHFFFAOYSA-N 2 0 293.253 -0.102 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001187826066 822298426 /nfs/dbraw/zinc/29/84/26/822298426.db2.gz UHRUCLTVODJEQD-CHWSQXEVSA-N 2 0 285.388 -0.863 20 0 CBADRP COCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001187850959 822299586 /nfs/dbraw/zinc/29/95/86/822299586.db2.gz JETYXDKLPATNRP-UONOGXRCSA-N 2 0 299.415 -0.208 20 0 CBADRP COCc1oncc1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001188332101 822329272 /nfs/dbraw/zinc/32/92/72/822329272.db2.gz SNXRWSJNTCAYPE-UHFFFAOYSA-N 2 0 269.305 -0.104 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CCO)C1 ZINC001281457494 828416913 /nfs/dbraw/zinc/41/69/13/828416913.db2.gz IUSZXANDHYCMEG-NWDGAFQWSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)CCO ZINC001282477444 828448677 /nfs/dbraw/zinc/44/86/77/828448677.db2.gz JPEFHBZQHGEWQZ-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)CCO ZINC001282477441 828449080 /nfs/dbraw/zinc/44/90/80/828449080.db2.gz JPEFHBZQHGEWQZ-NEPJUHHUSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@@H]([NH2+]CCCO)[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001282927401 828472555 /nfs/dbraw/zinc/47/25/55/828472555.db2.gz FVKMOKFUNGQDBX-ZIAGYGMSSA-N 2 0 299.415 -0.330 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCNC(=O)C[NH+]1CCCC1 ZINC001283025084 828490178 /nfs/dbraw/zinc/49/01/78/828490178.db2.gz NHESTDMAVIXQHM-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCO)C1 ZINC001283052260 828492732 /nfs/dbraw/zinc/49/27/32/828492732.db2.gz NBRJWPXWYNSUIL-JHJVBQTASA-N 2 0 269.389 -0.053 20 0 CBADRP CNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001283147820 828500198 /nfs/dbraw/zinc/50/01/98/828500198.db2.gz YIHXWJKJZOGJBA-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CCCF)CC[N@@H+]1C ZINC001283759179 828544346 /nfs/dbraw/zinc/54/43/46/828544346.db2.gz FMFBVKCDKNAURG-IJLUTSLNSA-N 2 0 275.368 -0.247 20 0 CBADRP COCC[NH2+][C@@H](CO)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001283806039 828551462 /nfs/dbraw/zinc/55/14/62/828551462.db2.gz URYGDPYTCAWIPK-VXGBXAGGSA-N 2 0 273.377 -0.959 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001189025608 823729939 /nfs/dbraw/zinc/72/99/39/823729939.db2.gz BECXDIYYZKTJPH-QWHCGFSZSA-N 2 0 269.389 -0.147 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001189054257 823730950 /nfs/dbraw/zinc/73/09/50/823730950.db2.gz BGQBSIWXOQTIBC-UONOGXRCSA-N 2 0 299.415 -0.520 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCO)[C@H]1C ZINC001283925857 828561050 /nfs/dbraw/zinc/56/10/50/828561050.db2.gz UKQWGBXYCAWXOK-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@H+](CCCO)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189401324 823752684 /nfs/dbraw/zinc/75/26/84/823752684.db2.gz VBRQEJXOXRVJBA-QWHCGFSZSA-N 2 0 269.389 -0.004 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045306 823943117 /nfs/dbraw/zinc/94/31/17/823943117.db2.gz CATPIJYSUKQHCK-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CCOCCO)C1 ZINC001192169601 823952300 /nfs/dbraw/zinc/95/23/00/823952300.db2.gz BDJZZXFPYIIEBD-ZDUSSCGKSA-N 2 0 287.404 -0.520 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CCCO)C1 ZINC001192151683 823952574 /nfs/dbraw/zinc/95/25/74/823952574.db2.gz BQUYGPYBMBYZHK-LBPRGKRZSA-N 2 0 257.378 -0.147 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152374 823954240 /nfs/dbraw/zinc/95/42/40/823954240.db2.gz GMRXVDNKFMFMNP-WDEREUQCSA-N 2 0 270.377 -0.655 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192171839 823955108 /nfs/dbraw/zinc/95/51/08/823955108.db2.gz WUGFAMBAKZNGCA-VXGBXAGGSA-N 2 0 284.404 -0.265 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170112 823955656 /nfs/dbraw/zinc/95/56/56/823955656.db2.gz HJDTUJQMVVERMQ-VXGBXAGGSA-N 2 0 284.404 -0.395 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192171836 823956809 /nfs/dbraw/zinc/95/68/09/823956809.db2.gz WUGFAMBAKZNGCA-NEPJUHHUSA-N 2 0 284.404 -0.265 20 0 CBADRP COC(=O)c1ncccc1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001192505331 823972209 /nfs/dbraw/zinc/97/22/09/823972209.db2.gz RNZVCZFVQAEUOY-UHFFFAOYSA-N 2 0 293.327 -0.057 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@H](N(C)CC(=O)N(C)C)C1 ZINC001192961425 823993901 /nfs/dbraw/zinc/99/39/01/823993901.db2.gz YCUSOMAMORSOAJ-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H](N(C)CC(=O)NC)C1 ZINC001192960061 823993919 /nfs/dbraw/zinc/99/39/19/823993919.db2.gz MURAOFNNNGDNGM-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP CC(C)[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CCF)[NH+](C)C ZINC001284445314 828596483 /nfs/dbraw/zinc/59/64/83/828596483.db2.gz RLBXNCWTSXFYJN-VXGBXAGGSA-N 2 0 277.384 -0.049 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CCO)C1 ZINC001193278921 824018423 /nfs/dbraw/zinc/01/84/23/824018423.db2.gz LILYLRWHTPUMBA-GFCCVEGCSA-N 2 0 257.378 -0.147 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@@H]2CCNC2=O)C1 ZINC001193293249 824019091 /nfs/dbraw/zinc/01/90/91/824019091.db2.gz ZFFZGDOUZNCVLW-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCCF)C[C@H]2O)CCC1 ZINC001193754872 824044782 /nfs/dbraw/zinc/04/47/82/824044782.db2.gz CKQHTNIVRFHLGB-VXGBXAGGSA-N 2 0 287.379 -0.008 20 0 CBADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O)C1CCC1 ZINC001193805311 824046758 /nfs/dbraw/zinc/04/67/58/824046758.db2.gz LDPJJQAHEOECOA-CHWSQXEVSA-N 2 0 285.388 -0.986 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CCOC)C[C@H]1O ZINC001194244004 824065298 /nfs/dbraw/zinc/06/52/98/824065298.db2.gz HAXAWHYGPNFREJ-VXGBXAGGSA-N 2 0 287.404 -0.476 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@H]2CCNC2=O)C1 ZINC001194283485 824067745 /nfs/dbraw/zinc/06/77/45/824067745.db2.gz CBCIAMLWGNBDSZ-STQMWFEESA-N 2 0 296.415 -0.252 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CCO)C1 ZINC001194293305 824069109 /nfs/dbraw/zinc/06/91/09/824069109.db2.gz FVVSNEUEROHNEE-GFCCVEGCSA-N 2 0 257.378 -0.148 20 0 CBADRP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677164 824128002 /nfs/dbraw/zinc/12/80/02/824128002.db2.gz NUTPVCWZCORIFE-VXGBXAGGSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859399 824134584 /nfs/dbraw/zinc/13/45/84/824134584.db2.gz IPBDKUWXVBNPTI-QJPTWQEYSA-N 2 0 275.368 -0.153 20 0 CBADRP C[C@@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859389 824134599 /nfs/dbraw/zinc/13/45/99/824134599.db2.gz IPBDKUWXVBNPTI-IJLUTSLNSA-N 2 0 275.368 -0.153 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCOC)C[C@H]1O ZINC001197050059 824176739 /nfs/dbraw/zinc/17/67/39/824176739.db2.gz VATYVFZENNDABI-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320055 824187645 /nfs/dbraw/zinc/18/76/45/824187645.db2.gz UQVODZDBVODJJQ-ZIAGYGMSSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](C)OC)C[C@H]1O ZINC001197536097 824194348 /nfs/dbraw/zinc/19/43/48/824194348.db2.gz JEOXTYNIYARLNF-YNEHKIRRSA-N 2 0 287.404 -0.476 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC)C[C@H]1O ZINC001198030357 824215109 /nfs/dbraw/zinc/21/51/09/824215109.db2.gz YNSFBCWQFGNNDT-VXGBXAGGSA-N 2 0 273.377 -0.864 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[NH+](CCOCCO)CC2)C1 ZINC001198098157 824218082 /nfs/dbraw/zinc/21/80/82/824218082.db2.gz PMICYDDGQQCWPJ-CQSZACIVSA-N 2 0 299.415 -0.519 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC[NH+](CCO)CC1 ZINC001198283056 824223549 /nfs/dbraw/zinc/22/35/49/824223549.db2.gz ODQICVMTUDDYPW-UHFFFAOYSA-N 2 0 257.378 -0.147 20 0 CBADRP C[C@H](O)C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001284854946 828624871 /nfs/dbraw/zinc/62/48/71/828624871.db2.gz SEELEAKNNVWCJZ-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198655025 824234626 /nfs/dbraw/zinc/23/46/26/824234626.db2.gz YKMQYQIVTPOCQV-YNEHKIRRSA-N 2 0 285.388 -0.864 20 0 CBADRP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198698539 824236183 /nfs/dbraw/zinc/23/61/83/824236183.db2.gz BJMPDLGUKQZIRD-BFHYXJOUSA-N 2 0 299.415 -0.476 20 0 CBADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001199023431 824245742 /nfs/dbraw/zinc/24/57/42/824245742.db2.gz JINDILSRCIFSEC-CHWSQXEVSA-N 2 0 285.388 -0.984 20 0 CBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104390 824249512 /nfs/dbraw/zinc/24/95/12/824249512.db2.gz LOGLQDNBJCPPFM-CHWSQXEVSA-N 2 0 287.404 -0.476 20 0 CBADRP CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001199788092 824287898 /nfs/dbraw/zinc/28/78/98/824287898.db2.gz LIFHVCYJKSHQPO-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001199788458 824288670 /nfs/dbraw/zinc/28/86/70/824288670.db2.gz QSBMNXYMBGAQPL-LBPRGKRZSA-N 2 0 282.388 -0.593 20 0 CBADRP CNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001199788457 824289124 /nfs/dbraw/zinc/28/91/24/824289124.db2.gz QSBMNXYMBGAQPL-GFCCVEGCSA-N 2 0 282.388 -0.593 20 0 CBADRP CO[C@@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001199942935 824296781 /nfs/dbraw/zinc/29/67/81/824296781.db2.gz BNHSTNZBFKGGON-JSGCOSHPSA-N 2 0 299.415 -0.068 20 0 CBADRP CNC(=O)C[NH2+]C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001201066150 824327084 /nfs/dbraw/zinc/32/70/84/824327084.db2.gz HFLKWUVENFERJL-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001201862907 824337387 /nfs/dbraw/zinc/33/73/87/824337387.db2.gz ICJOHSKZKMYREQ-KBPBESRZSA-N 2 0 299.415 -0.472 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CCCO)C2)C1 ZINC001202058265 824341838 /nfs/dbraw/zinc/34/18/38/824341838.db2.gz JJBXIJWFHBNKCA-KGLIPLIRSA-N 2 0 299.415 -0.472 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001202057707 824341850 /nfs/dbraw/zinc/34/18/50/824341850.db2.gz GSSYBMCTRPQOHL-CYBMUJFWSA-N 2 0 285.388 -0.718 20 0 CBADRP COC[C@H](O)C[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202315901 824346612 /nfs/dbraw/zinc/34/66/12/824346612.db2.gz INTHFZZRJLKHRI-CYBMUJFWSA-N 2 0 287.404 -0.474 20 0 CBADRP Cn1ncc(C[NH2+]C2CCN(C(=O)CC[NH+](C)C)CC2)n1 ZINC001202316053 824346753 /nfs/dbraw/zinc/34/67/53/824346753.db2.gz LKWZGWWXSCJBRB-UHFFFAOYSA-N 2 0 294.403 -0.153 20 0 CBADRP CNC(=O)C[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202316264 824346765 /nfs/dbraw/zinc/34/67/65/824346765.db2.gz TTZFDRHDQYITBM-UHFFFAOYSA-N 2 0 270.377 -0.735 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCC([NH2+]CC(=O)NC)CC1 ZINC001203005161 824356829 /nfs/dbraw/zinc/35/68/29/824356829.db2.gz MFVVOPPMWQCIGM-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]CC(=O)NC)CC1 ZINC001203202813 824359532 /nfs/dbraw/zinc/35/95/32/824359532.db2.gz AXKRBKRMGLLLOB-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP C[NH+](C)CCN1CCN(C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001204637935 824370143 /nfs/dbraw/zinc/37/01/43/824370143.db2.gz MYYISQLGDPBRSU-ZDUSSCGKSA-N 2 0 270.421 -0.110 20 0 CBADRP N[C@@]1(c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)CC[NH2+]C1 ZINC001204882982 824372537 /nfs/dbraw/zinc/37/25/37/824372537.db2.gz ZKDOOLZAFGXOSJ-AWEZNQCLSA-N 2 0 286.339 -0.075 20 0 CBADRP [NH3+]C[C@@]1(O)CCC[N@H+](CCN2CCOCC2)CC1 ZINC001205211450 824375569 /nfs/dbraw/zinc/37/55/69/824375569.db2.gz UUSOVRUBGSEJMG-CYBMUJFWSA-N 2 0 257.378 -0.506 20 0 CBADRP Cn1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(=O)n(C)c1=O ZINC001205280628 824376630 /nfs/dbraw/zinc/37/66/30/824376630.db2.gz DSNPKFNJJQCVRM-CQSZACIVSA-N 2 0 280.372 -0.213 20 0 CBADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cnc3n2CCNC3)CC1 ZINC001205256892 824376997 /nfs/dbraw/zinc/37/69/97/824376997.db2.gz RWOMFYGFNQXGLE-AWEZNQCLSA-N 2 0 279.388 -0.338 20 0 CBADRP CC[C@H](C(=O)N1CCC(C[NH2+]CC(N)=O)CC1)[NH+](C)C ZINC001205515916 824379449 /nfs/dbraw/zinc/37/94/49/824379449.db2.gz FWQQJYIOTVJATQ-GFCCVEGCSA-N 2 0 284.404 -0.360 20 0 CBADRP [NH3+]C[C@@]1(O)CCCC[N@H+](CCN2CCOCC2)C1 ZINC001205665790 824380409 /nfs/dbraw/zinc/38/04/09/824380409.db2.gz VGZAQWXNJIOEKJ-ZDUSSCGKSA-N 2 0 257.378 -0.506 20 0 CBADRP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205673898 824380740 /nfs/dbraw/zinc/38/07/40/824380740.db2.gz VKQANCYDNJGQKQ-CYBMUJFWSA-N 2 0 282.344 -0.128 20 0 CBADRP [NH3+]C[C@@]1(O)CCCC[N@H+](CC[C@H]2C[NH2+]CCO2)C1 ZINC001205665822 824381062 /nfs/dbraw/zinc/38/10/62/824381062.db2.gz VXVWEYCXTYNTLN-STQMWFEESA-N 3 0 257.378 -0.459 20 0 CBADRP [NH3+]C[C@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)C[C@H]1O ZINC001206480740 824401029 /nfs/dbraw/zinc/40/10/29/824401029.db2.gz JHGHKDKFNPGHKW-WCBMZHEXSA-N 2 0 268.386 -0.460 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+]CC(=O)NC)CC1 ZINC001206890330 824408876 /nfs/dbraw/zinc/40/88/76/824408876.db2.gz LUOWPCQURBFTDL-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001206927765 824413437 /nfs/dbraw/zinc/41/34/37/824413437.db2.gz PEODKGZOAMNSSR-CYBMUJFWSA-N 2 0 296.415 -0.488 20 0 CBADRP COC(=O)[C@@H]1CN(C)CCN1CC1CC[NH2+]CC1 ZINC001207441417 824428144 /nfs/dbraw/zinc/42/81/44/824428144.db2.gz BBGXJEAGNPSFST-LBPRGKRZSA-N 2 0 255.362 -0.225 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207551176 824430847 /nfs/dbraw/zinc/43/08/47/824430847.db2.gz WUWCMBUFHYRHGT-RTXFEEFZSA-N 2 0 269.389 -0.245 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207684268 824433961 /nfs/dbraw/zinc/43/39/61/824433961.db2.gz LYZANHRNYADXIW-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207688011 824434267 /nfs/dbraw/zinc/43/42/67/824434267.db2.gz KYECMCRLBMCKKT-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001207684716 824434384 /nfs/dbraw/zinc/43/43/84/824434384.db2.gz SBBUTQCQXPDVPF-ZIAGYGMSSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001208410547 824451806 /nfs/dbraw/zinc/45/18/06/824451806.db2.gz BGZCKERQOBKARM-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208448229 824453616 /nfs/dbraw/zinc/45/36/16/824453616.db2.gz XTHGMNRLUVPAMK-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208494227 824454247 /nfs/dbraw/zinc/45/42/47/824454247.db2.gz LSRUHHBNZIAKHR-GRYCIOLGSA-N 2 0 284.404 -0.491 20 0 CBADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208494228 824454611 /nfs/dbraw/zinc/45/46/11/824454611.db2.gz LSRUHHBNZIAKHR-IJLUTSLNSA-N 2 0 284.404 -0.491 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001209445039 824470497 /nfs/dbraw/zinc/47/04/97/824470497.db2.gz JWZIFRUBVPDMKY-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001209445296 824471126 /nfs/dbraw/zinc/47/11/26/824471126.db2.gz LQOKJEBCZIZVIE-SNVBAGLBSA-N 2 0 256.350 -0.996 20 0 CBADRP Cn1nncc1C[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209444707 824471426 /nfs/dbraw/zinc/47/14/26/824471426.db2.gz HWHXAYYCGRMDKP-LBPRGKRZSA-N 2 0 294.403 -0.153 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001209445382 824471772 /nfs/dbraw/zinc/47/17/72/824471772.db2.gz MKEPUZUFFXBDPM-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001209447122 824471800 /nfs/dbraw/zinc/47/18/00/824471800.db2.gz XPQYHOATASJOQS-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001209454580 824471903 /nfs/dbraw/zinc/47/19/03/824471903.db2.gz MHKOOAWWOCFQDH-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001209454625 824471953 /nfs/dbraw/zinc/47/19/53/824471953.db2.gz MTHAKRXBTGPQRE-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209455548 824472301 /nfs/dbraw/zinc/47/23/01/824472301.db2.gz USUPLAZQPWZJMR-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001209632143 824473749 /nfs/dbraw/zinc/47/37/49/824473749.db2.gz KGGYWLULCDOGAH-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP COC(=O)[C@@H]1CN(C)CCN1Cc1c[nH+]ccc1N ZINC001209733407 824474646 /nfs/dbraw/zinc/47/46/46/824474646.db2.gz WCINQYRACZUOIY-LBPRGKRZSA-N 2 0 264.329 -0.217 20 0 CBADRP COC(=O)[C@H]1CN(C)CCN1Cc1c[nH+]ccc1N ZINC001209733405 824474978 /nfs/dbraw/zinc/47/49/78/824474978.db2.gz WCINQYRACZUOIY-GFCCVEGCSA-N 2 0 264.329 -0.217 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210674443 824480448 /nfs/dbraw/zinc/48/04/48/824480448.db2.gz WHFJKNUTPNAJEN-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210674133 824480576 /nfs/dbraw/zinc/48/05/76/824480576.db2.gz NWTZIMXEAMSHGJ-GFCCVEGCSA-N 2 0 294.399 -0.591 20 0 CBADRP NC(=O)[C@H]([NH3+])Cc1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001211591016 824485581 /nfs/dbraw/zinc/48/55/81/824485581.db2.gz CWESJBFPUUBDIA-MRVPVSSYSA-N 2 0 288.311 -0.868 20 0 CBADRP COCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346289 824511136 /nfs/dbraw/zinc/51/11/36/824511136.db2.gz GIIHXDMSRREWNC-CHWSQXEVSA-N 2 0 287.404 -0.210 20 0 CBADRP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213859726 824516807 /nfs/dbraw/zinc/51/68/07/824516807.db2.gz IVQRLBJHAXHXAF-BFHYXJOUSA-N 2 0 299.415 -0.210 20 0 CBADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929915 824517542 /nfs/dbraw/zinc/51/75/42/824517542.db2.gz RQBNLVDFRUBYKQ-VXGBXAGGSA-N 2 0 273.377 -0.866 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCCO ZINC001214336048 824529737 /nfs/dbraw/zinc/52/97/37/824529737.db2.gz SAOSPVXZXVDGIB-UPJWGTAASA-N 2 0 269.389 -0.101 20 0 CBADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001214950217 824537497 /nfs/dbraw/zinc/53/74/97/824537497.db2.gz MUAKZZBDQRNDEZ-IJLUTSLNSA-N 2 0 284.404 -0.491 20 0 CBADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001214952633 824537899 /nfs/dbraw/zinc/53/78/99/824537899.db2.gz FKVLYIHKGPUTQB-JHJVBQTASA-N 2 0 298.431 -0.149 20 0 CBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)C(N)=O ZINC001215414325 824542050 /nfs/dbraw/zinc/54/20/50/824542050.db2.gz UAGAXRQERNPKMS-GRYCIOLGSA-N 2 0 296.415 -0.362 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001215993792 824544949 /nfs/dbraw/zinc/54/49/49/824544949.db2.gz DRKLQDASAFZCRG-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216750147 824548729 /nfs/dbraw/zinc/54/87/29/824548729.db2.gz RCXFOZHOASJILZ-GRYCIOLGSA-N 2 0 282.388 -0.879 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001216750145 824548806 /nfs/dbraw/zinc/54/88/06/824548806.db2.gz RCHWBOWGAVNSKR-FRRDWIJNSA-N 2 0 296.415 -0.537 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCOCCO ZINC001216756220 824549410 /nfs/dbraw/zinc/54/94/10/824549410.db2.gz XXWJDGLAFYNBFY-ZIAGYGMSSA-N 2 0 299.415 -0.472 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1 ZINC001216852147 824550100 /nfs/dbraw/zinc/55/01/00/824550100.db2.gz RDDYQADKYCBXJV-VXGBXAGGSA-N 2 0 257.378 -0.245 20 0 CBADRP C(O[C@@H]1COC2(C[NH2+]C2)C1)[C@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217793057 824561109 /nfs/dbraw/zinc/56/11/09/824561109.db2.gz LXYQSCXORSBSQD-RNJOBUHISA-N 2 0 268.357 -0.099 20 0 CBADRP Cn1nnnc1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218497833 824570100 /nfs/dbraw/zinc/57/01/00/824570100.db2.gz VDGZQAMUYXESFR-MRVPVSSYSA-N 2 0 265.321 -0.977 20 0 CBADRP Cc1cc(C[C@@H](C)NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)on1 ZINC001218500228 824570121 /nfs/dbraw/zinc/57/01/21/824570121.db2.gz DZXSLYVZXCAQNR-SKDRFNHKSA-N 2 0 278.356 -0.161 20 0 CBADRP O=C(Nc1cnc2c(c1)COCC2)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218500451 824570230 /nfs/dbraw/zinc/57/02/30/824570230.db2.gz BDIWXMUJDFDAPE-LBPRGKRZSA-N 2 0 288.351 -0.098 20 0 CBADRP Cc1cc(C[C@H](C)NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)on1 ZINC001218500226 824570491 /nfs/dbraw/zinc/57/04/91/824570491.db2.gz DZXSLYVZXCAQNR-CABZTGNLSA-N 2 0 278.356 -0.161 20 0 CBADRP CCOC(=O)c1c(C)[nH]nc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218512013 824577041 /nfs/dbraw/zinc/57/70/41/824577041.db2.gz FVOVDMXBOPELGZ-QMMMGPOBSA-N 2 0 283.332 -0.100 20 0 CBADRP CCOC(=O)c1cc(NC(=O)[C@@H]([NH3+])CCC[NH3+])[nH]n1 ZINC001218511219 824577360 /nfs/dbraw/zinc/57/73/60/824577360.db2.gz SKKACTIWCJZIIM-ZETCQYMHSA-N 2 0 269.305 -0.409 20 0 CBADRP Cn1nc2c(c1NC(=O)[C@H]([NH3+])CCC[NH3+])CCC2 ZINC001218529040 824585542 /nfs/dbraw/zinc/58/55/42/824585542.db2.gz YFMJLDUBPBDNFB-SECBINFHSA-N 2 0 251.334 -0.087 20 0 CBADRP [NH3+][C@H]1CCc2nc(NC(=O)[C@@H]3C[NH2+]CCN3)sc2C1 ZINC001218535071 824585703 /nfs/dbraw/zinc/58/57/03/824585703.db2.gz WNJBQOPLUVUJBH-CBAPKCEASA-N 2 0 281.385 -0.541 20 0 CBADRP Nc1cccnc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218538114 824587233 /nfs/dbraw/zinc/58/72/33/824587233.db2.gz GTQGWEGAHGOCJX-LLVKDONJSA-N 2 0 278.360 -0.647 20 0 CBADRP N[C@]1(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)CC[NH2+]C1 ZINC001218535694 824587759 /nfs/dbraw/zinc/58/77/59/824587759.db2.gz ZIEACLHZGVUSJI-JVXZTZIISA-N 2 0 281.385 -0.412 20 0 CBADRP CCOC(=O)c1n[nH]cc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218549294 824588183 /nfs/dbraw/zinc/58/81/83/824588183.db2.gz GRESYQUKGNBLKD-QMMMGPOBSA-N 2 0 293.327 -0.666 20 0 CBADRP O=C(Nc1cccnc1F)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218544190 824588270 /nfs/dbraw/zinc/58/82/70/824588270.db2.gz ISYBXOGEKSTJOP-QMMMGPOBSA-N 2 0 250.277 -0.032 20 0 CBADRP CN(C)c1cc[nH+]cc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218563112 824592201 /nfs/dbraw/zinc/59/22/01/824592201.db2.gz KWBAAVJRODSYJD-SNVBAGLBSA-N 3 0 275.356 -0.105 20 0 CBADRP CN(C)c1cc[nH+]cc1NC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001218563151 824592486 /nfs/dbraw/zinc/59/24/86/824592486.db2.gz LSTQLTGTDCFUGB-LDYMZIIASA-N 2 0 250.302 -0.334 20 0 CBADRP Cc1nc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])cc(=O)[nH]1 ZINC001218564720 824593025 /nfs/dbraw/zinc/59/30/25/824593025.db2.gz MWRCUDHKIAFUQP-QMMMGPOBSA-N 2 0 253.306 -0.115 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1ncnn2cccc12 ZINC001218565497 824593572 /nfs/dbraw/zinc/59/35/72/824593572.db2.gz UTPRPRQNZCALGO-JTQLQIEISA-N 2 0 276.344 -0.064 20 0 CBADRP O=C(Nc1ncnn2cccc12)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218565893 824594821 /nfs/dbraw/zinc/59/48/21/824594821.db2.gz ZXHNIZBBLWOEFL-QMTHXVAHSA-N 2 0 286.339 -0.711 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1cncc(O)c1 ZINC001218574039 824595745 /nfs/dbraw/zinc/59/57/45/824595745.db2.gz OHFJVILZUJXSPM-VIFPVBQESA-N 2 0 256.331 -0.255 20 0 CBADRP COC(=O)c1cc(C)cnc1NC(=O)[C@@H](N)CC[NH3+] ZINC001218577994 824598034 /nfs/dbraw/zinc/59/80/34/824598034.db2.gz BYAXAUMILRNTJJ-VIFPVBQESA-N 2 0 266.301 -0.209 20 0 CBADRP COC(=O)Cn1cc(NC(=O)[C@H]([NH3+])CCC[NH3+])cn1 ZINC001218609972 824603146 /nfs/dbraw/zinc/60/31/46/824603146.db2.gz LTQYCEXXCNZBBT-SECBINFHSA-N 2 0 269.305 -0.939 20 0 CBADRP Cn1ncc2cc(NC(=O)[C@@H]([NH3+])CCC[NH3+])cnc21 ZINC001218614150 824603460 /nfs/dbraw/zinc/60/34/60/824603460.db2.gz DQNUBBNGUAURHZ-JTQLQIEISA-N 2 0 262.317 -0.027 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1cccnc1OC1COC1 ZINC001218617023 824604336 /nfs/dbraw/zinc/60/43/36/824604336.db2.gz CELWOIDOZUEIHY-JTQLQIEISA-N 2 0 280.328 -0.136 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1cccnc1OC1COC1 ZINC001218617025 824604617 /nfs/dbraw/zinc/60/46/17/824604617.db2.gz CELWOIDOZUEIHY-SNVBAGLBSA-N 2 0 280.328 -0.136 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cnc(N)cn1 ZINC001218623212 824606648 /nfs/dbraw/zinc/60/66/48/824606648.db2.gz CMBUMUOQJMTUNA-QMMMGPOBSA-N 2 0 252.322 -0.286 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1cn[nH]c(=O)c1Cl ZINC001218633076 824610165 /nfs/dbraw/zinc/61/01/65/824610165.db2.gz PGWYXOBYIKMWHU-YFKPBYRVSA-N 2 0 291.764 -0.207 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218639845 824612695 /nfs/dbraw/zinc/61/26/95/824612695.db2.gz DQPNDMACJDCCPO-UHFFFAOYSA-N 2 0 278.360 -0.693 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640161 824612791 /nfs/dbraw/zinc/61/27/91/824612791.db2.gz KFAIHEJSJZRVJU-LLVKDONJSA-N 2 0 275.316 -0.741 20 0 CBADRP [NH3+][C@H](C(=O)Nc1cnn(C2C[NH2+]C2)c1)C1CCC(O)CC1 ZINC001218640879 824612922 /nfs/dbraw/zinc/61/29/22/824612922.db2.gz MWBVPJPNHSXUSH-LDUAJXOISA-N 2 0 293.371 -0.156 20 0 CBADRP CCc1nccnc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218644717 824614447 /nfs/dbraw/zinc/61/44/47/824614447.db2.gz AHGCBBUFZRPKRK-QMMMGPOBSA-N 2 0 269.374 -0.003 20 0 CBADRP Cc1nc(Cl)c(N)c(=N)n1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218642435 824614522 /nfs/dbraw/zinc/61/45/22/824614522.db2.gz VUAOPWRCKDCNIT-MRVPVSSYSA-N 2 0 298.778 -0.126 20 0 CBADRP Nc1ncc(Cl)nc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218651572 824615254 /nfs/dbraw/zinc/61/52/54/824615254.db2.gz BMWZAEMAVJXXGJ-QMMMGPOBSA-N 2 0 284.751 -0.022 20 0 CBADRP CCOC(=O)c1cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c[nH]1 ZINC001218650155 824615608 /nfs/dbraw/zinc/61/56/08/824615608.db2.gz SXWOGIZVDIJDMT-JTQLQIEISA-N 2 0 292.339 -0.061 20 0 CBADRP CC(=O)Nc1cc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])ccn1 ZINC001218650320 824616175 /nfs/dbraw/zinc/61/61/75/824616175.db2.gz YYHPVTSYLFUEAN-JTQLQIEISA-N 2 0 297.384 -0.002 20 0 CBADRP [NH3+][C@@H](C(=O)Nc1cn[nH]c(=O)c1)C1CC[NH2+]CC1 ZINC001218652985 824617191 /nfs/dbraw/zinc/61/71/91/824617191.db2.gz UDLZSHVJJKNBCQ-SNVBAGLBSA-N 2 0 251.290 -0.552 20 0 CBADRP O=Nc1c(=O)[nH]c(=O)[nH]c1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218670200 824619535 /nfs/dbraw/zinc/61/95/35/824619535.db2.gz ARSYFWKCYSIDSX-YFKPBYRVSA-N 2 0 294.271 -0.967 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1[nH]c(=O)[nH]c(=O)c1N=O ZINC001218671190 824619970 /nfs/dbraw/zinc/61/99/70/824619970.db2.gz MHXYXJUCPCQWCJ-YFKPBYRVSA-N 2 0 284.276 -0.320 20 0 CBADRP Nc1cn(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)ccc1=[NH2+] ZINC001218692585 824621879 /nfs/dbraw/zinc/62/18/79/824621879.db2.gz FEUBHQRXDQFVNX-KPXOXKRLSA-N 2 0 262.313 -0.043 20 0 CBADRP CCOc1cc(N)n(C(=O)[C@@H]([NH3+])CCC[NH3+])c(=N)n1 ZINC001218681637 824621958 /nfs/dbraw/zinc/62/19/58/824621958.db2.gz XWERPSHSMSBBQZ-ZETCQYMHSA-N 2 0 268.321 -0.950 20 0 CBADRP Cc1c(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)ncn1C ZINC001218691189 824622187 /nfs/dbraw/zinc/62/21/87/824622187.db2.gz HLIHNOROGZLYQF-JTQLQIEISA-N 2 0 251.334 -0.006 20 0 CBADRP Cc1nc2[nH]cnc2c(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001218700377 824623347 /nfs/dbraw/zinc/62/33/47/824623347.db2.gz XQPUTLMISZGILU-QMMMGPOBSA-N 2 0 287.327 -0.591 20 0 CBADRP Cc1nc2[nH]cnc2c(NC(=O)[C@@H]([NH3+])CCC[NH3+])n1 ZINC001218699326 824623371 /nfs/dbraw/zinc/62/33/71/824623371.db2.gz HRRIKROHHILNDG-ZETCQYMHSA-N 2 0 263.305 -0.334 20 0 CBADRP Cc1nc2[nH]cnc2c(NC(=O)[C@@H]([NH3+])CSCC[NH3+])n1 ZINC001218699977 824623951 /nfs/dbraw/zinc/62/39/51/824623951.db2.gz SUNUZUFHVOGVIH-ZETCQYMHSA-N 2 0 295.372 -0.381 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1oncc1C(N)=O ZINC001218701714 824625412 /nfs/dbraw/zinc/62/54/12/824625412.db2.gz DLUZKGULPRCRRE-QMMMGPOBSA-N 2 0 269.305 -0.571 20 0 CBADRP [NH3+]CCNCC(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1 ZINC001218713135 824627460 /nfs/dbraw/zinc/62/74/60/824627460.db2.gz QTDCKWYTBZDLFJ-QMMMGPOBSA-N 2 0 253.306 -0.414 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1ncccc1N1CCOCC1 ZINC001218713395 824627548 /nfs/dbraw/zinc/62/75/48/824627548.db2.gz OIVQDFLDWOBINZ-NSHDSACASA-N 2 0 293.371 -0.077 20 0 CBADRP COC[C@@H](C)Oc1cc(NC(=O)[C@@H]([NH3+])CCC[NH3+])[nH]n1 ZINC001218717997 824627921 /nfs/dbraw/zinc/62/79/21/824627921.db2.gz BKFIKMGTXHOTOF-BDAKNGLRSA-N 2 0 285.348 -0.172 20 0 CBADRP O=C(Nc1cc([C@H]2CCC[NH2+]2)no1)[C@H]1C[NH2+]CCN1 ZINC001218710391 824628172 /nfs/dbraw/zinc/62/81/72/824628172.db2.gz FFMZELMASMYXOX-PSASIEDQSA-N 2 0 265.317 -0.401 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1cn(CCF)cn1 ZINC001218743702 824631706 /nfs/dbraw/zinc/63/17/06/824631706.db2.gz MIGAEKPPJWIRFX-QMMMGPOBSA-N 2 0 275.353 -0.190 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)Nc1cnc2nccn2c1 ZINC001218786250 824637622 /nfs/dbraw/zinc/63/76/22/824637622.db2.gz XZGLFVXVXJALFA-SNVBAGLBSA-N 2 0 271.284 -0.039 20 0 CBADRP Cc1cncnc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218792392 824638734 /nfs/dbraw/zinc/63/87/34/824638734.db2.gz JNZLRIZQGQOHCR-LLVKDONJSA-N 2 0 278.360 -0.526 20 0 CBADRP [NH3+][C@H](C(=O)Nc1c[nH]ccc1=O)C1CC[NH2+]CC1 ZINC001218791418 824638833 /nfs/dbraw/zinc/63/88/33/824638833.db2.gz IMJDLZJVLMXFPK-NSHDSACASA-N 2 0 250.302 -0.360 20 0 CBADRP O=C(Nc1ncccc1CCO)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218792019 824638913 /nfs/dbraw/zinc/63/89/13/824638913.db2.gz GXTHDCSCECRKGZ-LLVKDONJSA-N 2 0 276.340 -0.636 20 0 CBADRP COC(=O)c1ccc(OC)nc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218790734 824639504 /nfs/dbraw/zinc/63/95/04/824639504.db2.gz QWULQNKQGMVTTF-SECBINFHSA-N 2 0 296.327 -0.119 20 0 CBADRP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@@H]1C[NH2+]C[C@@H]1O ZINC001218936556 824649068 /nfs/dbraw/zinc/64/90/68/824649068.db2.gz ATOXKPWNJMIJMY-KGLIPLIRSA-N 2 0 275.352 -0.106 20 0 CBADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1C[NH2+]C[C@@H]1O ZINC001219027942 824652260 /nfs/dbraw/zinc/65/22/60/824652260.db2.gz IWAZLYCCZMMDFN-RYUDHWBXSA-N 2 0 277.324 -0.313 20 0 CBADRP N[C@@]1(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC[NH2+]C1 ZINC001219027752 824652920 /nfs/dbraw/zinc/65/29/20/824652920.db2.gz AUYXGQNHUPXFLG-AWEZNQCLSA-N 2 0 276.340 -0.202 20 0 CBADRP O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219116437 824665049 /nfs/dbraw/zinc/66/50/49/824665049.db2.gz MZRRNHJGTFASOA-ZIAGYGMSSA-N 2 0 290.367 -0.243 20 0 CBADRP [NH3+]CCNCC(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219118164 824665288 /nfs/dbraw/zinc/66/52/88/824665288.db2.gz ITKIUKOBYKWMKB-UHFFFAOYSA-N 2 0 277.372 -0.417 20 0 CBADRP [NH3+]Cc1ccc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001219349562 824694961 /nfs/dbraw/zinc/69/49/61/824694961.db2.gz OTTOGRDWFMOVLQ-CQSZACIVSA-N 3 0 291.399 -0.166 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1cccc2c1CC(=O)NC2 ZINC001219369828 824698812 /nfs/dbraw/zinc/69/88/12/824698812.db2.gz QUZUSYPZDWQADU-LLVKDONJSA-N 2 0 276.340 -0.136 20 0 CBADRP NC(=O)c1cc(O)cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001219441631 824709840 /nfs/dbraw/zinc/70/98/40/824709840.db2.gz LPKGTDPHZIQVPB-NSHDSACASA-N 2 0 290.323 -0.761 20 0 CBADRP NC(=O)c1cc(O)cc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c1 ZINC001219441733 824709938 /nfs/dbraw/zinc/70/99/38/824709938.db2.gz PDXQREVARGQEEL-GFCCVEGCSA-N 2 0 292.339 -0.244 20 0 CBADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219536941 824723459 /nfs/dbraw/zinc/72/34/59/824723459.db2.gz GWRXZUXBIVWOCA-PLKZCJTGSA-N 2 0 289.335 -0.347 20 0 CBADRP N[C@@H](C[NH3+])C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219538151 824725689 /nfs/dbraw/zinc/72/56/89/824725689.db2.gz VOSKIMOARDGXCY-FYBVGQRMSA-N 2 0 262.313 -0.641 20 0 CBADRP O=C(NCc1ccc2c(c1)OCO2)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219552197 824726981 /nfs/dbraw/zinc/72/69/81/824726981.db2.gz VYXJYKJVXJXEMS-LLVKDONJSA-N 2 0 289.335 -0.160 20 0 CBADRP O=C(NCc1ccc2c(c1)OCO2)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219552198 824727083 /nfs/dbraw/zinc/72/70/83/824727083.db2.gz VYXJYKJVXJXEMS-NSHDSACASA-N 2 0 289.335 -0.160 20 0 CBADRP C[NH+](C)CCNC(=O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219553912 824727572 /nfs/dbraw/zinc/72/75/72/824727572.db2.gz QPBOFACZEPHUFO-CHWSQXEVSA-N 2 0 268.405 -0.262 20 0 CBADRP C[NH+](C)CCNC(=O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219553913 824727583 /nfs/dbraw/zinc/72/75/83/824727583.db2.gz QPBOFACZEPHUFO-OLZOCXBDSA-N 2 0 268.405 -0.262 20 0 CBADRP C[NH+](C)CCNC(=O)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219553914 824728168 /nfs/dbraw/zinc/72/81/68/824728168.db2.gz QPBOFACZEPHUFO-QWHCGFSZSA-N 2 0 268.405 -0.262 20 0 CBADRP Cn1ccnc1CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219563858 824731320 /nfs/dbraw/zinc/73/13/20/824731320.db2.gz LDDPOJOTAJVDMC-NSHDSACASA-N 2 0 277.372 -0.090 20 0 CBADRP Cn1ccnc1CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001219566104 824732245 /nfs/dbraw/zinc/73/22/45/824732245.db2.gz SPWVKJARVKOTIM-QMMMGPOBSA-N 2 0 257.363 -0.945 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)C2=NO[C@@H]3C[NH2+]C[C@H]23)C[NH2+]1 ZINC001219582367 824736058 /nfs/dbraw/zinc/73/60/58/824736058.db2.gz CQFQMQTVVLQMBD-AATLWQCWSA-N 2 0 252.318 -0.783 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCN2C)C[NH2+]1 ZINC001219586843 824736331 /nfs/dbraw/zinc/73/63/31/824736331.db2.gz GSTIGURDDSJGNS-SDDRHHMPSA-N 2 0 254.378 -0.511 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C[NH2+]1 ZINC001219585188 824736353 /nfs/dbraw/zinc/73/63/53/824736353.db2.gz YXFJNZNJMMCWFD-ONYIWYLUSA-N 2 0 252.362 -0.535 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)CN(C)[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001219587077 824737126 /nfs/dbraw/zinc/73/71/26/824737126.db2.gz PNUOWXWYQWSBAA-AVGNSLFASA-N 2 0 268.405 -0.073 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)CN2CCCC[C@H]([NH3+])C2=O)C[NH2+]1 ZINC001219586913 824737509 /nfs/dbraw/zinc/73/75/09/824737509.db2.gz JERNGKXLCBXYFJ-SRVKXCTJSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)CN(C)[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001219587078 824738103 /nfs/dbraw/zinc/73/81/03/824738103.db2.gz PNUOWXWYQWSBAA-RWMBFGLXSA-N 2 0 268.405 -0.073 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001219593733 824739172 /nfs/dbraw/zinc/73/91/72/824739172.db2.gz GMMSLZHONJDMAG-IUCAKERBSA-N 2 0 263.363 -0.879 20 0 CBADRP Cc1cc(C)n(CCNC(=O)[C@@H]([NH3+])CSCC[NH3+])n1 ZINC001219595687 824739791 /nfs/dbraw/zinc/73/97/91/824739791.db2.gz KRVKUFSSQQAULP-NSHDSACASA-N 2 0 285.417 -0.365 20 0 CBADRP Cc1ccnc(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])n1 ZINC001219600084 824741228 /nfs/dbraw/zinc/74/12/28/824741228.db2.gz HPAZJEZDGLLGPY-VIFPVBQESA-N 2 0 269.374 -0.580 20 0 CBADRP Cc1cnc(CCNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)nc1 ZINC001219600708 824741546 /nfs/dbraw/zinc/74/15/46/824741546.db2.gz DGCLZIFAALVIRU-ZDUSSCGKSA-N 2 0 277.372 -0.229 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@@H](O)c1ccco1)C1CC[NH2+]CC1 ZINC001219603668 824849695 /nfs/dbraw/zinc/84/96/95/824849695.db2.gz CMMAWIDFYLICHH-PWSUYJOCSA-N 2 0 267.329 -0.244 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H](O)c1ccco1 ZINC001219604745 824850009 /nfs/dbraw/zinc/85/00/09/824850009.db2.gz YIYMCIJXTGDUCW-NWDGAFQWSA-N 2 0 296.371 -0.820 20 0 CBADRP [NH3+][C@@H](C(=O)NC[C@H](O)c1ccco1)C1CC[NH2+]CC1 ZINC001219603666 824851445 /nfs/dbraw/zinc/85/14/45/824851445.db2.gz CMMAWIDFYLICHH-CMPLNLGQSA-N 2 0 267.329 -0.244 20 0 CBADRP Cc1nocc1CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001219608220 824852813 /nfs/dbraw/zinc/85/28/13/824852813.db2.gz SRWLRZLBSPNZGB-LLVKDONJSA-N 2 0 252.318 -0.074 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCCS(C)(=O)=O ZINC001219608343 824852855 /nfs/dbraw/zinc/85/28/55/824852855.db2.gz VVPHCXDPOYUACQ-JTQLQIEISA-N 2 0 279.406 -0.794 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219608088 824853474 /nfs/dbraw/zinc/85/34/74/824853474.db2.gz OOMGWLOMNBQYDF-PSASIEDQSA-N 2 0 291.277 -0.310 20 0 CBADRP N[C@]1(C(=O)N[C@@]2(C(F)(F)F)CC[NH2+]C2)CC[NH2+]C1 ZINC001219611382 824853800 /nfs/dbraw/zinc/85/38/00/824853800.db2.gz YKZSNNNNNAFQIG-BDAKNGLRSA-N 2 0 266.267 -0.912 20 0 CBADRP N[C@@]1(C(=O)N[C@]2(C(F)(F)F)CC[NH2+]C2)CC[NH2+]C1 ZINC001219611383 824854054 /nfs/dbraw/zinc/85/40/54/824854054.db2.gz YKZSNNNNNAFQIG-DTWKUNHWSA-N 2 0 266.267 -0.912 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)N[C@@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC001219614319 824854346 /nfs/dbraw/zinc/85/43/46/824854346.db2.gz WZXDHNKKBUNVSU-ZKWXMUAHSA-N 2 0 266.267 -0.914 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219613687 824854649 /nfs/dbraw/zinc/85/46/49/824854649.db2.gz OGEHIQQNFCTYPV-PSASIEDQSA-N 2 0 281.278 -0.225 20 0 CBADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219610607 824855224 /nfs/dbraw/zinc/85/52/24/824855224.db2.gz PNBIBOXFNMYZGU-GDPRMGEGSA-N 2 0 292.305 -0.652 20 0 CBADRP CC[C@H](C)[C@@H]([NH3+])CC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617045 824855596 /nfs/dbraw/zinc/85/55/96/824855596.db2.gz GVPLRNLGUHINRN-MRBYEJRBSA-N 2 0 275.368 -0.071 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)C12CCC[NH+]1CCC2 ZINC001219620107 824858572 /nfs/dbraw/zinc/85/85/72/824858572.db2.gz WEZNMVJJEPGXDZ-SMDDNHRTSA-N 2 0 285.363 -0.207 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)C1CC2(C[NH2+]C2)C1 ZINC001219617774 824859438 /nfs/dbraw/zinc/85/94/38/824859438.db2.gz PCMTVKLIPFTNOF-GXFFZTMASA-N 2 0 271.336 -0.835 20 0 CBADRP O=C(C=C1CC[NH2+]CC1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219621786 824860538 /nfs/dbraw/zinc/86/05/38/824860538.db2.gz HYMKLMBXAIJIEH-WCQYABFASA-N 2 0 271.336 -0.525 20 0 CBADRP [NH3+]Cc1ccccc1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219627963 824863109 /nfs/dbraw/zinc/86/31/09/824863109.db2.gz OOXFZPLUJPNPAP-GXTWGEPZSA-N 2 0 281.331 -0.062 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCc1cn(C)cn1 ZINC001219632863 824865152 /nfs/dbraw/zinc/86/51/52/824865152.db2.gz RVAGTXUGJQCRBF-LBPRGKRZSA-N 2 0 267.377 -0.204 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219639199 824867252 /nfs/dbraw/zinc/86/72/52/824867252.db2.gz WHVSJWKOSYFUDM-SRVKXCTJSA-N 2 0 288.367 -0.564 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635739 824867426 /nfs/dbraw/zinc/86/74/26/824867426.db2.gz POXZFFAYEHLLQQ-DCAQKATOSA-N 3 0 260.357 -0.480 20 0 CBADRP C[C@H]1OCC[C@H]1CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001219634054 824867976 /nfs/dbraw/zinc/86/79/76/824867976.db2.gz LOTJBVVZFZJBJJ-ADEWGFFLSA-N 2 0 255.362 -0.146 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC001219641778 824869387 /nfs/dbraw/zinc/86/93/87/824869387.db2.gz LGHRVMILFVMJNU-MNXVOIDGSA-N 2 0 267.373 -0.416 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001219642039 824869730 /nfs/dbraw/zinc/86/97/30/824869730.db2.gz OKUYFGHHKFTTLZ-NAWOPXAZSA-N 2 0 266.389 -0.702 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)C2=NO[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001219640845 824869930 /nfs/dbraw/zinc/86/99/30/824869930.db2.gz CJENAIRLAXNAEQ-VPOLOUISSA-N 2 0 266.345 -0.678 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001219641946 824870307 /nfs/dbraw/zinc/87/03/07/824870307.db2.gz NDJBCTDFIPQHET-QJPTWQEYSA-N 3 0 266.389 -0.843 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)CC[NH+]2CCN(C)CC2)C1 ZINC001219641607 824870673 /nfs/dbraw/zinc/87/06/73/824870673.db2.gz JIIRFYUZFORWTB-ZIAGYGMSSA-N 2 0 282.432 -0.014 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC001219645710 824870963 /nfs/dbraw/zinc/87/09/63/824870963.db2.gz MIENAHHZDRWJLC-AGIUHOORSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC001219644774 824871424 /nfs/dbraw/zinc/87/14/24/824871424.db2.gz FXQMOKFKIHBENN-NEPJUHHUSA-N 2 0 254.378 -0.747 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC001219645712 824871798 /nfs/dbraw/zinc/87/17/98/824871798.db2.gz MIENAHHZDRWJLC-UPJWGTAASA-N 2 0 296.415 -0.312 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219645513 824872010 /nfs/dbraw/zinc/87/20/10/824872010.db2.gz LHKXFUNYXYMVTF-XQQFMLRXSA-N 2 0 298.431 -0.162 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)C2(O)CC[NH2+]CC2)C1 ZINC001219642743 824872124 /nfs/dbraw/zinc/87/21/24/824872124.db2.gz XFSZQIKCTGILIB-WDEREUQCSA-N 2 0 255.362 -0.537 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219649816 824872695 /nfs/dbraw/zinc/87/26/95/824872695.db2.gz LEXHHCSTKKXELR-UBHSHLNASA-N 2 0 298.431 -0.018 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@]2(N)CCC[NH2+]C2)C1 ZINC001219650381 824873044 /nfs/dbraw/zinc/87/30/44/824873044.db2.gz OMXPVMVJRXKKCM-DMDPSCGWSA-N 2 0 254.378 -0.571 20 0 CBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219651889 824874258 /nfs/dbraw/zinc/87/42/58/824874258.db2.gz YSWRDHNVPSCYLV-XBFCOCLRSA-N 2 0 298.431 -0.018 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)c2ncn3c2C[NH2+]CC3)C1 ZINC001219661235 824874448 /nfs/dbraw/zinc/87/44/48/824874448.db2.gz ALKOSKLSGZNBON-GHMZBOCLSA-N 2 0 277.372 -0.038 20 0 CBADRP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219655954 824875310 /nfs/dbraw/zinc/87/53/10/824875310.db2.gz CVQQXMLRPKFREA-SYQHCUMBSA-N 2 0 299.415 -0.476 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219651625 824875360 /nfs/dbraw/zinc/87/53/60/824875360.db2.gz WXKWJBOSHXBLAY-UPJWGTAASA-N 2 0 298.431 -0.162 20 0 CBADRP C[C@@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])CC[S@](C)=O)C[NH2+]1 ZINC001219683948 824877871 /nfs/dbraw/zinc/87/78/71/824877871.db2.gz HNSFZXIYQATMKA-SBXBPKINSA-N 2 0 261.391 -0.804 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC[C@H]1C[NH2+][C@H](C)C1 ZINC001219683918 824878221 /nfs/dbraw/zinc/87/82/21/824878221.db2.gz HDQDMRGDGIGISR-RTXFEEFZSA-N 2 0 284.404 -0.266 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[NH2+][C@H](C)C1 ZINC001219685065 824878739 /nfs/dbraw/zinc/87/87/39/824878739.db2.gz VYYQEEVEBIIJNG-WGBDABJCSA-N 2 0 284.404 -0.410 20 0 CBADRP C[C@@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C[NH2+]1 ZINC001219684492 824878990 /nfs/dbraw/zinc/87/89/90/824878990.db2.gz OKNVPYVTCDYIIB-KKZNHRDASA-N 2 0 251.334 -0.606 20 0 CBADRP CCOC(=O)CCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219691692 824879410 /nfs/dbraw/zinc/87/94/10/824879410.db2.gz VNCCVJCWMHFXOX-NSHDSACASA-N 2 0 283.372 -0.070 20 0 CBADRP CCOC(=O)CCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219691691 824879691 /nfs/dbraw/zinc/87/96/91/824879691.db2.gz VNCCVJCWMHFXOX-LLVKDONJSA-N 2 0 283.372 -0.070 20 0 CBADRP Cc1cc(C)c(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c(=O)[nH]1 ZINC001219688935 824880338 /nfs/dbraw/zinc/88/03/38/824880338.db2.gz ADZANPMAEAAKCP-LBPRGKRZSA-N 2 0 290.367 -0.171 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219703141 824882882 /nfs/dbraw/zinc/88/28/82/824882882.db2.gz BZIFKIJVAKTPNK-ZDUSSCGKSA-N 2 0 263.341 -0.342 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1c[nH]c(=O)nc1N ZINC001219701279 824883145 /nfs/dbraw/zinc/88/31/45/824883145.db2.gz KBLICUSBEKXTHS-ZETCQYMHSA-N 2 0 268.321 -0.580 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219705287 824883831 /nfs/dbraw/zinc/88/38/31/824883831.db2.gz HCOUXSIQTGINKX-KBPBESRZSA-N 2 0 274.368 -0.505 20 0 CBADRP O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@H]1[NH2+]CC[C@H]1O ZINC001219705876 824883953 /nfs/dbraw/zinc/88/39/53/824883953.db2.gz RVWWVNGXJORVCM-KGLIPLIRSA-N 2 0 275.352 -0.329 20 0 CBADRP CC(C)[C@@]1(C(=O)N[C@@H]2C[NH2+]C[C@H]2O)CCC[NH2+]C1 ZINC001219714537 824885493 /nfs/dbraw/zinc/88/54/93/824885493.db2.gz OCJOAMYKEMESIH-NQBHXWOUSA-N 2 0 255.362 -0.539 20 0 CBADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001219721004 824885840 /nfs/dbraw/zinc/88/58/40/824885840.db2.gz XQDLSRMNAYAFRJ-CZXHOFHRSA-N 2 0 283.372 -0.623 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]C1)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219736182 824886698 /nfs/dbraw/zinc/88/66/98/824886698.db2.gz BPNHKIOVRYHMDK-NEPJUHHUSA-N 2 0 267.373 -0.129 20 0 CBADRP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720661 824887090 /nfs/dbraw/zinc/88/70/90/824887090.db2.gz OJFVNEJDTDBYJW-SDDRHHMPSA-N 2 0 289.339 -0.725 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219739060 824887859 /nfs/dbraw/zinc/88/78/59/824887859.db2.gz GFTOUAYFBNTKBY-YUMQZZPRSA-N 2 0 263.288 -0.536 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219736740 824887952 /nfs/dbraw/zinc/88/79/52/824887952.db2.gz GKTGSGLMOBKWAW-SDDRHHMPSA-N 2 0 267.373 -0.131 20 0 CBADRP [NH3+][C@@H](CC1CCC1)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737267 824888287 /nfs/dbraw/zinc/88/82/87/824888287.db2.gz RRNIPGILGCEECE-NEPJUHHUSA-N 2 0 267.373 -0.001 20 0 CBADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CC[NH2+]C[C@H]1F ZINC001219739217 824888328 /nfs/dbraw/zinc/88/83/28/824888328.db2.gz JJRLXFFSYABHHU-HBNTYKKESA-N 2 0 271.336 -0.571 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219736739 824888635 /nfs/dbraw/zinc/88/86/35/824888635.db2.gz GKTGSGLMOBKWAW-QJPTWQEYSA-N 2 0 267.373 -0.131 20 0 CBADRP N[C@]1(C(=O)NC[C@H]2CCC3(CC[NH2+]CC3)O2)CC[NH2+]C1 ZINC001219743549 824889299 /nfs/dbraw/zinc/88/92/99/824889299.db2.gz GSLPZYIADVASRM-BXUZGUMPSA-N 2 0 282.388 -0.905 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744635 824889550 /nfs/dbraw/zinc/88/95/50/824889550.db2.gz ZZYKJBCXSIWKKX-OLZOCXBDSA-N 3 0 298.431 -0.140 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743301 824889723 /nfs/dbraw/zinc/88/97/23/824889723.db2.gz BMRQLNGFUOBDTC-MNOVXSKESA-N 2 0 270.377 -0.920 20 0 CBADRP C[C@H]1CC[NH2+][C@H](C(=O)NCc2nnc3n2CCC[NH2+]C3)C1 ZINC001219748947 824889908 /nfs/dbraw/zinc/88/99/08/824889908.db2.gz DVYMQWJQYAPLEQ-QWRGUYRKSA-N 2 0 292.387 -0.224 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)n1cc(F)c(=O)nc1N ZINC001219741801 824890109 /nfs/dbraw/zinc/89/01/09/824890109.db2.gz VAGOSYVWWKKDKU-VIFPVBQESA-N 2 0 285.323 -0.093 20 0 CBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001219748759 824890174 /nfs/dbraw/zinc/89/01/74/824890174.db2.gz AULDLYKDWIKCFQ-UWVGGRQHSA-N 2 0 296.350 -0.522 20 0 CBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1CC[NH2+]C[C@H]1F ZINC001219749882 824890202 /nfs/dbraw/zinc/89/02/02/824890202.db2.gz SMEFVBRWJOWNGS-NXEZZACHSA-N 2 0 296.350 -0.665 20 0 CBADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219743669 824890292 /nfs/dbraw/zinc/89/02/92/824890292.db2.gz JLPDMEVPOBIGTA-GRYCIOLGSA-N 2 0 283.372 -0.873 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1C[NH2+]CCO1 ZINC001219772950 824891022 /nfs/dbraw/zinc/89/10/22/824891022.db2.gz HIJUBURKDXHZGA-LLVKDONJSA-N 2 0 253.346 -0.377 20 0 CBADRP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219768413 824891185 /nfs/dbraw/zinc/89/11/85/824891185.db2.gz MMHXHGFIGFPXNK-DRZSPHRISA-N 2 0 270.352 -0.854 20 0 CBADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)C1CC2(C[NH2+]C2)C1 ZINC001219764760 824891793 /nfs/dbraw/zinc/89/17/93/824891793.db2.gz LDINBSUPVNCYPZ-YPMHNXCESA-N 2 0 278.400 -0.604 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)C1=NO[C@@H]2C[NH2+]C[C@H]12 ZINC001219772882 824891813 /nfs/dbraw/zinc/89/18/13/824891813.db2.gz DQDBLRYIODWTFA-WDEREUQCSA-N 2 0 278.356 -0.391 20 0 CBADRP O=C(CC1CC[NH2+]CC1)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765193 824892088 /nfs/dbraw/zinc/89/20/88/824892088.db2.gz WYRHHMRLLRTYRQ-KGLIPLIRSA-N 2 0 280.416 -0.214 20 0 CBADRP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001219768643 824892519 /nfs/dbraw/zinc/89/25/19/824892519.db2.gz OJYQHRXDIMIWBK-FMSGJZPZSA-N 2 0 285.363 -0.039 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NC1CC2(C1)CC[NH2+]CC2 ZINC001219776241 824893261 /nfs/dbraw/zinc/89/32/61/824893261.db2.gz YKQUXXCJCJYWGH-UHFFFAOYSA-N 2 0 266.389 -0.460 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219773622 824893378 /nfs/dbraw/zinc/89/33/78/824893378.db2.gz VZSUKMBHAYAXAZ-SNVBAGLBSA-N 2 0 255.362 -0.267 20 0 CBADRP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798923 824895629 /nfs/dbraw/zinc/89/56/29/824895629.db2.gz YHXNPVRIOMZAKT-XQQFMLRXSA-N 2 0 299.415 -0.333 20 0 CBADRP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802458 824895729 /nfs/dbraw/zinc/89/57/29/824895729.db2.gz PASIFUMQWNYQAZ-UTUOFQBUSA-N 2 0 285.388 -0.987 20 0 CBADRP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804287 824896071 /nfs/dbraw/zinc/89/60/71/824896071.db2.gz RGLVKSGRXWGINH-HZSPNIEDSA-N 2 0 299.415 -0.476 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800939 824896159 /nfs/dbraw/zinc/89/61/59/824896159.db2.gz PDUXSADUYVEPDP-ZYHUDNBSSA-N 2 0 293.371 -0.836 20 0 CBADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1CC[NH2+]C[C@H]1F ZINC001219799997 824896234 /nfs/dbraw/zinc/89/62/34/824896234.db2.gz GAMVNMKRSRWPTB-IJLUTSLNSA-N 2 0 285.363 -0.181 20 0 CBADRP [NH3+][C@@H](C(=O)NCC[C@H]1CCOC12C[NH2+]C2)C1CC[NH2+]CC1 ZINC001219799802 824896561 /nfs/dbraw/zinc/89/65/61/824896561.db2.gz CURYNYPBYCFDNK-QWHCGFSZSA-N 3 0 296.415 -0.802 20 0 CBADRP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219822625 824896883 /nfs/dbraw/zinc/89/68/83/824896883.db2.gz FGPBTHWTSVEXEL-LPEHRKFASA-N 2 0 267.354 -0.269 20 0 CBADRP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@H]1[NH2+]CC[C@H]1O ZINC001219818704 824897382 /nfs/dbraw/zinc/89/73/82/824897382.db2.gz KIGWJRPZBBDCMQ-MQYQWHSLSA-N 2 0 275.352 -0.071 20 0 CBADRP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815810 824897631 /nfs/dbraw/zinc/89/76/31/824897631.db2.gz KWRBWOVMRMTUAL-YUTCNCBUSA-N 2 0 299.415 -0.333 20 0 CBADRP [NH3+][C@@H](CC1CCC1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219812724 824898075 /nfs/dbraw/zinc/89/80/75/824898075.db2.gz HWWYAJOQGNIXLI-OBJOEFQTSA-N 2 0 267.373 -0.144 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219810658 824898278 /nfs/dbraw/zinc/89/82/78/824898278.db2.gz AFXGVYAVKVQBSB-ZETCQYMHSA-N 2 0 274.271 -0.081 20 0 CBADRP O=C(N[C@H]1C[NH2+]Cc2ccsc21)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219822623 824898437 /nfs/dbraw/zinc/89/84/37/824898437.db2.gz FGPBTHWTSVEXEL-BBBLOLIVSA-N 2 0 267.354 -0.269 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001219823803 824899002 /nfs/dbraw/zinc/89/90/02/824899002.db2.gz VFEIRLQBJSNEOU-LLVKDONJSA-N 2 0 280.397 -0.086 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001219823041 824899049 /nfs/dbraw/zinc/89/90/49/824899049.db2.gz JKOOUSCGAXIMAC-RKDXNWHRSA-N 2 0 255.343 -0.282 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001219830287 824899358 /nfs/dbraw/zinc/89/93/58/824899358.db2.gz UMUOEISIBCONQK-MCIONIFRSA-N 2 0 299.415 -0.596 20 0 CBADRP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219823093 824899564 /nfs/dbraw/zinc/89/95/64/824899564.db2.gz KJSGHTSKRIMRHB-WDEREUQCSA-N 3 0 292.408 -0.182 20 0 CBADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831544 824900147 /nfs/dbraw/zinc/90/01/47/824900147.db2.gz OCFWZGFQHUBOKC-KVSVUVNWSA-N 2 0 267.373 -0.132 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001219823804 824900519 /nfs/dbraw/zinc/90/05/19/824900519.db2.gz VFEIRLQBJSNEOU-NSHDSACASA-N 2 0 280.397 -0.086 20 0 CBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)C1CC[NH2+]CC1 ZINC001219836912 824901338 /nfs/dbraw/zinc/90/13/38/824901338.db2.gz GFIKZXXIDRSXAO-IUODEOHRSA-N 2 0 297.399 -0.503 20 0 CBADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001219847312 824901623 /nfs/dbraw/zinc/90/16/23/824901623.db2.gz CQBBSIDVSMAUPS-WTPMCQDGSA-N 2 0 271.336 -0.430 20 0 CBADRP C[NH2+]CCC(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838000 824901757 /nfs/dbraw/zinc/90/17/57/824901757.db2.gz NLSBGVUMAFWEOX-YPMHNXCESA-N 2 0 271.361 -0.893 20 0 CBADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@H]1CC[NH2+]C[C@@H]1F ZINC001219847311 824901841 /nfs/dbraw/zinc/90/18/41/824901841.db2.gz CQBBSIDVSMAUPS-UHFZAUJKSA-N 2 0 271.336 -0.430 20 0 CBADRP [NH3+][C@H](Cc1cccc(O)c1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854676 824902961 /nfs/dbraw/zinc/90/29/61/824902961.db2.gz PPIBJAAVTMOPLK-YIYPIFLZSA-N 2 0 291.351 -0.635 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852280 824903367 /nfs/dbraw/zinc/90/33/67/824903367.db2.gz PUUZQLPYVMOIOP-SDDRHHMPSA-N 2 0 297.403 -0.620 20 0 CBADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@H]1CC[NH2+]C[C@@H]1F ZINC001219856501 824903419 /nfs/dbraw/zinc/90/34/19/824903419.db2.gz PGDBEXRBQUSTKT-HPENLJRUSA-N 2 0 257.309 -0.963 20 0 CBADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1CC[NH2+]C[C@@H]1F ZINC001219852764 824903471 /nfs/dbraw/zinc/90/34/71/824903471.db2.gz ZEGVNZLMFBOSHC-PJSNJIKXSA-N 2 0 285.363 -0.325 20 0 CBADRP [NH3+]CCNC(=O)[C@H](c1ccco1)N1CCC([NH3+])CC1 ZINC001219867695 824904935 /nfs/dbraw/zinc/90/49/35/824904935.db2.gz OAMGEZBSHNNTGT-LBPRGKRZSA-N 2 0 266.345 -0.181 20 0 CBADRP [NH3+]CCNC(=O)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219872404 824905833 /nfs/dbraw/zinc/90/58/33/824905833.db2.gz CHYKNKPSTMQBRI-WFASDCNBSA-N 2 0 274.368 -0.213 20 0 CBADRP CC(C)OC(=O)[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219880984 824907903 /nfs/dbraw/zinc/90/79/03/824907903.db2.gz NSXNJYYURPNLQI-MISXGVKJSA-N 2 0 283.372 -0.358 20 0 CBADRP Cn1cc2c(n1)[C@H](CNC(=O)[C@H]([NH3+])CCC[NH3+])OCC2 ZINC001219885146 824909487 /nfs/dbraw/zinc/90/94/87/824909487.db2.gz IRFGFXPRCRMGJW-MNOVXSKESA-N 2 0 281.360 -0.784 20 0 CBADRP CCOC(=O)CC(=N)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219882789 824909716 /nfs/dbraw/zinc/90/97/16/824909716.db2.gz NCJCJUHAPMSTDE-SNVBAGLBSA-N 2 0 296.371 -0.093 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)C[NH+](C)C ZINC001219916090 824913490 /nfs/dbraw/zinc/91/34/90/824913490.db2.gz JZDHVMNLZAQWHS-UMNHJUIQSA-N 2 0 272.393 -0.458 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001219916429 824914243 /nfs/dbraw/zinc/91/42/43/824914243.db2.gz VSQFDZQVMYNRMZ-YYJSSNLHSA-N 2 0 257.378 -0.069 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@H]1CC[C@H](C(F)(F)F)C[NH2+]1 ZINC001219918185 824914798 /nfs/dbraw/zinc/91/47/98/824914798.db2.gz HIDFCJHAGPSOQV-DTWKUNHWSA-N 2 0 283.294 -0.385 20 0 CBADRP Cc1nccn1CCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001219934813 824916019 /nfs/dbraw/zinc/91/60/19/824916019.db2.gz OEBSLADQKXZOMU-JTQLQIEISA-N 2 0 271.390 -0.673 20 0 CBADRP NC(=O)c1ccc(CNC(=O)[C@H]([NH3+])CCC[NH3+])cc1 ZINC001219961738 824922508 /nfs/dbraw/zinc/92/25/08/824922508.db2.gz UYMGYETZSMYWHU-LLVKDONJSA-N 2 0 264.329 -0.532 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001219954729 824922767 /nfs/dbraw/zinc/92/27/67/824922767.db2.gz PENUCIVLKCKDNQ-RYUDHWBXSA-N 2 0 255.362 -0.443 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC[C@H]1CCC(=O)N1 ZINC001219958992 824922785 /nfs/dbraw/zinc/92/27/85/824922785.db2.gz DEZZIWMEWWTYOT-VHSXEESVSA-N 2 0 256.350 -0.772 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001219954727 824923019 /nfs/dbraw/zinc/92/30/19/824923019.db2.gz PENUCIVLKCKDNQ-NEPJUHHUSA-N 2 0 255.362 -0.443 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC(=O)N1 ZINC001219959533 824923029 /nfs/dbraw/zinc/92/30/29/824923029.db2.gz YHEAPYCJMIIISN-NEPJUHHUSA-N 2 0 284.404 -0.123 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]([NH3+])CC[S@@](C)=O)C1 ZINC001219980877 824928850 /nfs/dbraw/zinc/92/88/50/824928850.db2.gz PYLLZMIRMKNSQT-UYSIFFEZSA-N 2 0 289.445 -0.070 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@]2(N)CCC[NH2+]C2)C1 ZINC001219980993 824929678 /nfs/dbraw/zinc/92/96/78/824929678.db2.gz SYLYNGDJAUJNER-JSGCOSHPSA-N 2 0 268.405 -0.085 20 0 CBADRP COC(=O)C1(NC(=O)CCCCNC(N)=[NH2+])CC[NH2+]CC1 ZINC001220001634 824931248 /nfs/dbraw/zinc/93/12/48/824931248.db2.gz UBLCUFKZRNILPA-UHFFFAOYSA-N 2 0 299.375 -0.949 20 0 CBADRP COC(=O)C1(NC(=O)[C@@H]([NH3+])CC(F)F)CC[NH2+]CC1 ZINC001220001141 824931367 /nfs/dbraw/zinc/93/13/67/824931367.db2.gz IUUCGFLSSDSQGD-ZETCQYMHSA-N 2 0 279.287 -0.620 20 0 CBADRP COC(=O)C1(NC(=O)C2CC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001220001824 824931513 /nfs/dbraw/zinc/93/15/13/824931513.db2.gz XYIFXIHYNLGZII-UHFFFAOYSA-N 2 0 281.356 -0.603 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC001220007159 824932327 /nfs/dbraw/zinc/93/23/27/824932327.db2.gz JKUTXZJYKHADMC-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP CN1C[C@@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])CCC1=O ZINC001220006986 824932725 /nfs/dbraw/zinc/93/27/25/824932725.db2.gz GXBYOXVJLGKPPI-UWVGGRQHSA-N 2 0 256.350 -0.820 20 0 CBADRP O=C(NCc1cccnn1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220018589 824935569 /nfs/dbraw/zinc/93/55/69/824935569.db2.gz JUYPFHVYXRAKJV-GFCCVEGCSA-N 2 0 275.356 -0.033 20 0 CBADRP CC(C)[C@@](C)(NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(N)=O ZINC001220023449 824937388 /nfs/dbraw/zinc/93/73/88/824937388.db2.gz ZBZFXFZMWKQYIJ-JOYOIKCWSA-N 2 0 258.366 -0.541 20 0 CBADRP N=c1sc2c(n1C(=O)[C@@]1(N)CC[NH2+]C1)CC[C@H]([NH3+])C2 ZINC001220025378 824937680 /nfs/dbraw/zinc/93/76/80/824937680.db2.gz MVTPPSQZRFTSEK-JVXZTZIISA-N 2 0 281.385 -0.824 20 0 CBADRP N=c1sc2c(n1C(=O)[C@H]1C[NH2+]C[C@@H]1O)CC[C@H]([NH3+])C2 ZINC001220025139 824937968 /nfs/dbraw/zinc/93/79/68/824937968.db2.gz HYCXWHPMDQSAJA-ZKWXMUAHSA-N 2 0 282.369 -0.934 20 0 CBADRP N=c1sc2c(n1C(=O)[C@H]1C[NH2+]C[C@H]1O)CC[C@H]([NH3+])C2 ZINC001220025046 824938034 /nfs/dbraw/zinc/93/80/34/824938034.db2.gz HYCXWHPMDQSAJA-ACLDMZEESA-N 2 0 282.369 -0.934 20 0 CBADRP CC(C)[C@@](C)(NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C(N)=O ZINC001220023436 824938443 /nfs/dbraw/zinc/93/84/43/824938443.db2.gz YVCIFDMWFADZDT-GXFFZTMASA-N 2 0 270.377 -0.671 20 0 CBADRP COC(=O)c1ccnc(CNC(=O)[C@@H]([NH3+])CCC[NH3+])c1 ZINC001220037827 824940289 /nfs/dbraw/zinc/94/02/89/824940289.db2.gz LUUGWGJFVAFLDI-NSHDSACASA-N 2 0 280.328 -0.449 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220043187 824942371 /nfs/dbraw/zinc/94/23/71/824942371.db2.gz IMQSKAHBCCVAKE-LLVKDONJSA-N 3 0 278.360 -0.903 20 0 CBADRP O=C(NCc1n[nH]c2ccccc21)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220045436 824943320 /nfs/dbraw/zinc/94/33/20/824943320.db2.gz ZHWRJJBMWDONOR-NSHDSACASA-N 2 0 285.351 -0.012 20 0 CBADRP N=c1cc(C[NH3+])ccn1C(=O)C[C@H]1COCC[NH2+]1 ZINC001220045337 824943886 /nfs/dbraw/zinc/94/38/86/824943886.db2.gz WHFSOAUKSLQUQB-JTQLQIEISA-N 2 0 250.302 -0.555 20 0 CBADRP COC(=O)CCCCCNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220048637 824943978 /nfs/dbraw/zinc/94/39/78/824943978.db2.gz SGDOPLFYVQSQPU-JTQLQIEISA-N 2 0 259.350 -0.098 20 0 CBADRP C[NH2+]CCNC(=O)[C@@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001220054562 824944861 /nfs/dbraw/zinc/94/48/61/824944861.db2.gz IJCLSCMVEDGPKR-NSHDSACASA-N 2 0 271.361 -0.417 20 0 CBADRP C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001220052869 824945430 /nfs/dbraw/zinc/94/54/30/824945430.db2.gz HMIWNKHUGKWEAB-GFCCVEGCSA-N 2 0 268.405 -0.214 20 0 CBADRP C[NH2+]CCNC(=O)[C@@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001220051144 824945763 /nfs/dbraw/zinc/94/57/63/824945763.db2.gz LNMHHJRDBQAZLZ-CYBMUJFWSA-N 2 0 280.372 -0.048 20 0 CBADRP CCCCOC(=O)[C@H](C)NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220049973 824946072 /nfs/dbraw/zinc/94/60/72/824946072.db2.gz WHBAUQDUEJKINH-VHSXEESVSA-N 2 0 259.350 -0.099 20 0 CBADRP C[NH2+]CCNC(=O)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001220055859 824946511 /nfs/dbraw/zinc/94/65/11/824946511.db2.gz GGDRNFPWTPHQGM-NEPJUHHUSA-N 2 0 254.378 -0.462 20 0 CBADRP C[NH2+]CCNC(=O)c1cccnc1N1CC[NH2+]CC1 ZINC001220057420 824947292 /nfs/dbraw/zinc/94/72/92/824947292.db2.gz MVUPHOQMUVKMIK-UHFFFAOYSA-N 2 0 263.345 -0.560 20 0 CBADRP CCOC(=O)C(C)(C)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220064322 824948032 /nfs/dbraw/zinc/94/80/32/824948032.db2.gz ZRGBBPDPSUDWKK-VIFPVBQESA-N 2 0 259.350 -0.099 20 0 CBADRP CCOC(=O)C(C)(C)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220063747 824948408 /nfs/dbraw/zinc/94/84/08/824948408.db2.gz AYOFAZUFEHNWJC-VIFPVBQESA-N 2 0 269.345 -0.747 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1cc(=O)[nH]c(=O)n1C1CC1 ZINC001220065283 824948451 /nfs/dbraw/zinc/94/84/51/824948451.db2.gz DAJQNFGURMOCCD-VIFPVBQESA-N 2 0 295.343 -0.321 20 0 CBADRP Cc1nc(N)ccc1CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220071488 824951670 /nfs/dbraw/zinc/95/16/70/824951670.db2.gz GCCWEYPMXFYKKV-ZDUSSCGKSA-N 2 0 277.372 -0.085 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001220103162 824955541 /nfs/dbraw/zinc/95/55/41/824955541.db2.gz JBVAENHFULUINE-IUCAKERBSA-N 3 0 259.329 -0.605 20 0 CBADRP N=C(NC(=O)CN1CCCC[C@H]([NH3+])C1=O)SCC[NH3+] ZINC001220106206 824956979 /nfs/dbraw/zinc/95/69/79/824956979.db2.gz FJBWFSGSPSNLKI-QMMMGPOBSA-N 2 0 287.389 -0.931 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC(=N)SCC[NH3+] ZINC001220106734 824957507 /nfs/dbraw/zinc/95/75/07/824957507.db2.gz ZUUKGYQXMACBQU-VIFPVBQESA-N 3 0 275.422 -0.212 20 0 CBADRP N=C(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])SCC[NH3+] ZINC001220106132 824957544 /nfs/dbraw/zinc/95/75/44/824957544.db2.gz BQPMALSWRRYUMV-QMMMGPOBSA-N 3 0 261.395 -0.424 20 0 CBADRP Cc1cnc(=O)[nH]c1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220122582 824960034 /nfs/dbraw/zinc/96/00/34/824960034.db2.gz KXHDKDSSAWVEAH-MRVPVSSYSA-N 2 0 263.301 -0.762 20 0 CBADRP O=C(NCC1(F)CCOCC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220136985 824963466 /nfs/dbraw/zinc/96/34/66/824963466.db2.gz NCJVEQOEMQMIPH-BXUZGUMPSA-N 2 0 285.363 -0.180 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H]1CCOC[C@H]1OC ZINC001220140807 824965779 /nfs/dbraw/zinc/96/57/79/824965779.db2.gz BJHPKAKMPJXEEW-GRYCIOLGSA-N 2 0 273.377 -0.377 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1cc[nH]c(=O)c1 ZINC001220148193 824969216 /nfs/dbraw/zinc/96/92/16/824969216.db2.gz PRJSEPLAGNLLDX-GFCCVEGCSA-N 2 0 293.371 -0.846 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC1CC(CO)(CO)C1 ZINC001220151877 824969872 /nfs/dbraw/zinc/96/98/72/824969872.db2.gz KXYUTASCMMYSTI-JTQLQIEISA-N 2 0 273.377 -0.918 20 0 CBADRP CC(C)[C@]1(C(=O)NC2(C[NH3+])COC2)CCC[NH2+]C1 ZINC001220154191 824970533 /nfs/dbraw/zinc/97/05/33/824970533.db2.gz NXSRESIOENDRRS-ZDUSSCGKSA-N 2 0 255.362 -0.144 20 0 CBADRP [NH3+]CC1(NC(=O)[C@H]([NH3+])Cc2ccccc2F)COC1 ZINC001220153893 824970758 /nfs/dbraw/zinc/97/07/58/824970758.db2.gz CJRQTKSSBYQSCE-LLVKDONJSA-N 2 0 267.304 -0.461 20 0 CBADRP N[C@@H](C[NH3+])c1ccc(C(=O)NC2(C[NH3+])COC2)cc1 ZINC001220156644 824972559 /nfs/dbraw/zinc/97/25/59/824972559.db2.gz FBMLTSKTANAOMV-NSHDSACASA-N 2 0 264.329 -0.897 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001220156802 824972887 /nfs/dbraw/zinc/97/28/87/824972887.db2.gz LDHBZMGLGUFSFC-QWRGUYRKSA-N 3 0 252.362 -0.994 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001220156803 824973526 /nfs/dbraw/zinc/97/35/26/824973526.db2.gz LDHBZMGLGUFSFC-WDEREUQCSA-N 3 0 252.362 -0.994 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220163643 824974320 /nfs/dbraw/zinc/97/43/20/824974320.db2.gz SKJCOAOHZFSJSD-ZJQBRPOHSA-N 2 0 266.389 -0.428 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)N[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001220161581 824974372 /nfs/dbraw/zinc/97/43/72/824974372.db2.gz DHKMWSDXOKYIHI-NMKXLXIOSA-N 2 0 266.389 -0.286 20 0 CBADRP O=C(N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220163379 824974648 /nfs/dbraw/zinc/97/46/48/824974648.db2.gz QFLBUBFJIFHSCU-GRYWWWGRSA-N 2 0 292.427 -0.025 20 0 CBADRP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220161397 824974807 /nfs/dbraw/zinc/97/48/07/824974807.db2.gz CGJAHHJFMBABAZ-LQKXBSAESA-N 2 0 292.427 -0.024 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)N[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001220161584 824974903 /nfs/dbraw/zinc/97/49/03/824974903.db2.gz DHKMWSDXOKYIHI-OWTLIXCDSA-N 2 0 266.389 -0.286 20 0 CBADRP N=C(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1ccc(F)cn1 ZINC001220170596 824975796 /nfs/dbraw/zinc/97/57/96/824975796.db2.gz PHVFRWXIWDUYGL-QMMMGPOBSA-N 2 0 285.348 -0.319 20 0 CBADRP O=C(N[C@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220163877 824976228 /nfs/dbraw/zinc/97/62/28/824976228.db2.gz WFEABPSNKKYZGA-SFTQSGBHSA-N 2 0 267.373 -0.252 20 0 CBADRP CCC1(CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)COC1 ZINC001220170955 824976356 /nfs/dbraw/zinc/97/63/56/824976356.db2.gz ZNILSAAQEUOYFL-NSHDSACASA-N 2 0 255.362 -0.144 20 0 CBADRP N=C(NC(=O)[C@H]([NH3+])CCC[NH3+])c1ccc(F)cn1 ZINC001220170613 824976555 /nfs/dbraw/zinc/97/65/55/824976555.db2.gz PXXGZMFJAOWZJQ-MRVPVSSYSA-N 2 0 253.281 -0.272 20 0 CBADRP C[C@H](NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)c1cncnc1 ZINC001220183098 824980756 /nfs/dbraw/zinc/98/07/56/824980756.db2.gz DUYIRIDZKLSULY-JOYOIKCWSA-N 2 0 263.345 -0.019 20 0 CBADRP [NH3+][C@@H](C(=O)NC[C@@H]1CCNCC1(F)F)C1CC[NH2+]CC1 ZINC001220187155 824982502 /nfs/dbraw/zinc/98/25/02/824982502.db2.gz ZQMAXRBLGSBCOE-WDEREUQCSA-N 2 0 290.358 -0.326 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]C[C@@H]2N)CC1 ZINC001220200100 824984936 /nfs/dbraw/zinc/98/49/36/824984936.db2.gz AKQZWKZFAMSOBS-STQMWFEESA-N 2 0 284.404 -0.850 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCC1(N2CCCC2)COC1 ZINC001220197491 824985189 /nfs/dbraw/zinc/98/51/89/824985189.db2.gz GINNRUXLDXMORY-ZDUSSCGKSA-N 2 0 298.431 -0.316 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCC1(N2CCCC2)COC1 ZINC001220197384 824985283 /nfs/dbraw/zinc/98/52/83/824985283.db2.gz ANFPCJHIIKNHMM-ZDUSSCGKSA-N 2 0 298.431 -0.186 20 0 CBADRP CC(C)(C)[C@H](CO)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220217307 824987170 /nfs/dbraw/zinc/98/71/70/824987170.db2.gz UTXBBGZZKLWLOP-UHIISALHSA-N 2 0 269.389 -0.291 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001220220666 824989380 /nfs/dbraw/zinc/98/93/80/824989380.db2.gz ACSSFLPDRFDLMI-SRVKXCTJSA-N 2 0 271.361 -0.134 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220220792 824989751 /nfs/dbraw/zinc/98/97/51/824989751.db2.gz FPNSSYCIWIWBLT-KXNHARMFSA-N 2 0 255.362 -0.302 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220221020 824989819 /nfs/dbraw/zinc/98/98/19/824989819.db2.gz OAHYIIWSXBPNCG-ABHRYQDASA-N 2 0 280.416 -0.073 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCCc1cnccn1 ZINC001220243658 824993113 /nfs/dbraw/zinc/99/31/13/824993113.db2.gz WGSCEAHSSIHOCW-NSHDSACASA-N 2 0 265.361 -0.018 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)C1(N)CC[NH2+]CC1 ZINC001220254203 824995694 /nfs/dbraw/zinc/99/56/94/824995694.db2.gz MUTZXBPHMIEQNI-UHFFFAOYSA-N 2 0 256.394 -0.229 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001220252387 824996003 /nfs/dbraw/zinc/99/60/03/824996003.db2.gz YXJVSHBLVXBNLU-FHGNATFXSA-N 2 0 275.418 -0.317 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC001220261027 824997847 /nfs/dbraw/zinc/99/78/47/824997847.db2.gz ORVIFKBRMZOVIP-MNOVXSKESA-N 2 0 265.361 -0.161 20 0 CBADRP [NH3+]CCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)c1cccnc1 ZINC001220263445 824999482 /nfs/dbraw/zinc/99/94/82/824999482.db2.gz KDQFFJKYJCWOAX-ZDUSSCGKSA-N 3 0 277.372 -0.300 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC001220268448 825000023 /nfs/dbraw/zinc/00/00/23/825000023.db2.gz JFVIFPPSCDLXGU-NSHDSACASA-N 2 0 289.343 -0.451 20 0 CBADRP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277172 825002447 /nfs/dbraw/zinc/00/24/47/825002447.db2.gz TZEXBGFUPKRZPY-UPJWGTAASA-N 2 0 287.404 -0.740 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001220276670 825002668 /nfs/dbraw/zinc/00/26/68/825002668.db2.gz HJHBZWIIPHSXFX-KGLIPLIRSA-N 2 0 299.415 -0.474 20 0 CBADRP O=C(NCCc1cn2ccccc2n1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220278545 825004743 /nfs/dbraw/zinc/00/47/43/825004743.db2.gz WOVYBEROFYMIEH-ZDUSSCGKSA-N 2 0 299.378 -0.198 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC001220286264 825005364 /nfs/dbraw/zinc/00/53/64/825005364.db2.gz DWAVRGWWYFVKDD-LBPRGKRZSA-N 2 0 296.346 -0.262 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@@H](CO)Cc1c[nH]cn1 ZINC001220291038 825007497 /nfs/dbraw/zinc/00/74/97/825007497.db2.gz KNWRVIMVFZWCIY-OLZOCXBDSA-N 2 0 297.403 -0.512 20 0 CBADRP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)[NH+](C)C ZINC001220290184 825008107 /nfs/dbraw/zinc/00/81/07/825008107.db2.gz QHMONWKOGXAHNH-FRRDWIJNSA-N 2 0 287.404 -0.884 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220289937 825008349 /nfs/dbraw/zinc/00/83/49/825008349.db2.gz JBICIQOSTMOCJF-GRYCIOLGSA-N 2 0 257.378 -0.246 20 0 CBADRP C[N@@H+]1CCCN(CCNC(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)CC1 ZINC001220304098 825009775 /nfs/dbraw/zinc/00/97/75/825009775.db2.gz PAZGQIKUNXRHCE-STQMWFEESA-N 2 0 286.395 -0.170 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NCc1ncn2c1C[NH2+]CCC2 ZINC001220312867 825012953 /nfs/dbraw/zinc/01/29/53/825012953.db2.gz HPVZYRJIJQWNGA-LLVKDONJSA-N 2 0 293.371 -0.629 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316894 825013439 /nfs/dbraw/zinc/01/34/39/825013439.db2.gz UMJBYDSKNMAEMN-SCRDCRAPSA-N 2 0 293.371 -0.693 20 0 CBADRP N[C@]1(C(=O)N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)CCC[NH2+]C1 ZINC001220319367 825013809 /nfs/dbraw/zinc/01/38/09/825013809.db2.gz FQVHPOXPNJOOGN-FPMFFAJLSA-N 2 0 282.388 -0.905 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220320606 825014631 /nfs/dbraw/zinc/01/46/31/825014631.db2.gz OJOBSTHUMHSBSU-BXUZGUMPSA-N 2 0 297.403 -0.333 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220320879 825015406 /nfs/dbraw/zinc/01/54/06/825015406.db2.gz QNOJGLFQYWKKDA-DYEKYZERSA-N 2 0 283.372 -0.608 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001220332236 825016676 /nfs/dbraw/zinc/01/66/76/825016676.db2.gz KCKBZGWVXBWZHI-RWMBFGLXSA-N 2 0 269.389 -0.197 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001220335800 825016681 /nfs/dbraw/zinc/01/66/81/825016681.db2.gz UNNRZPXVQTZTBS-AVGNSLFASA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](N)CC[NH3+] ZINC001220332629 825016693 /nfs/dbraw/zinc/01/66/93/825016693.db2.gz NUSZOIDNLHYNNN-NEPJUHHUSA-N 2 0 256.394 -0.101 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C[C@H](O)C[NH3+] ZINC001220333615 825017187 /nfs/dbraw/zinc/01/71/87/825017187.db2.gz WPQBALNVVCJNIP-RYUDHWBXSA-N 2 0 257.378 -0.067 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCCNC(=O)Nc1ccccc1 ZINC001220340436 825018633 /nfs/dbraw/zinc/01/86/33/825018633.db2.gz DMCNHWAQLCBKDC-GFCCVEGCSA-N 2 0 293.371 -0.010 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@H]2CC[C@@H]2[NH3+])CC[NH+](C)CC1 ZINC001220345623 825019995 /nfs/dbraw/zinc/01/99/95/825019995.db2.gz KLVKMCSWUFQKIL-QWRGUYRKSA-N 2 0 283.372 -0.133 20 0 CBADRP C[C@@H](NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)c1cnccn1 ZINC001220369086 825021276 /nfs/dbraw/zinc/02/12/76/825021276.db2.gz SMEUISVCSDFPSK-SKDRFNHKSA-N 2 0 263.345 -0.019 20 0 CBADRP C[C@@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1cnccn1 ZINC001220368884 825021571 /nfs/dbraw/zinc/02/15/71/825021571.db2.gz OPOQFTRAYUPVDB-NXEZZACHSA-N 2 0 261.329 -0.537 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1c[nH]nc1C(=O)OC ZINC001220373683 825022904 /nfs/dbraw/zinc/02/29/04/825022904.db2.gz XUWLNKREKAGAIO-QMMMGPOBSA-N 2 0 283.332 -0.148 20 0 CBADRP COC(=O)c1n[nH]cc1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220373393 825023392 /nfs/dbraw/zinc/02/33/92/825023392.db2.gz LTRJUJUAFHAHBQ-QMMMGPOBSA-N 2 0 283.332 -0.019 20 0 CBADRP [NH3+]Cc1ccc2c(n1)N(C(=O)[C@H]1C[NH2+]C[C@H]1O)CCC2 ZINC001220377174 825023416 /nfs/dbraw/zinc/02/34/16/825023416.db2.gz MHZOEONOEAYLQK-NWDGAFQWSA-N 2 0 276.340 -0.600 20 0 CBADRP C[NH+](C)CCC(C)(C)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220386231 825026397 /nfs/dbraw/zinc/02/63/97/825026397.db2.gz LHMWVSQNNSJGDR-NSHDSACASA-N 3 0 268.405 -0.358 20 0 CBADRP C=CC(=O)NCCNC(=O)[C@H](CCCC[NH3+])[NH2+]C ZINC001220395098 825028846 /nfs/dbraw/zinc/02/88/46/825028846.db2.gz VLEHOHRKUUJPKZ-JTQLQIEISA-N 2 0 256.350 -0.878 20 0 CBADRP [NH3+][C@@H](C(=O)NCC12CC[NH+](CC1)CC2)C1CC[NH2+]CC1 ZINC001220395110 825028852 /nfs/dbraw/zinc/02/88/52/825028852.db2.gz VYWHLQXWHWAAGI-CYBMUJFWSA-N 3 0 280.416 -0.085 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@H]1c2ccccc2CNC1=O ZINC001220403315 825031406 /nfs/dbraw/zinc/03/14/06/825031406.db2.gz NJZNTJQBJSMLLX-RYUDHWBXSA-N 2 0 276.340 -0.460 20 0 CBADRP COC(=O)[C@@H]1CC[C@H](NC(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001220405773 825031987 /nfs/dbraw/zinc/03/19/87/825031987.db2.gz CYQBOVZXZSJWPS-KXUCPTDWSA-N 2 0 257.334 -0.490 20 0 CBADRP COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001220406579 825033153 /nfs/dbraw/zinc/03/31/53/825033153.db2.gz TVQSJFZXKCIDTF-VWYCJHECSA-N 2 0 281.356 -0.747 20 0 CBADRP COC(=O)[C@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001220406548 825033534 /nfs/dbraw/zinc/03/35/34/825033534.db2.gz SPZQTZUFOSDNHE-AXFHLTTASA-N 2 0 271.361 -0.099 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cc(=O)n(C)c(=O)[nH]1 ZINC001220424385 825034388 /nfs/dbraw/zinc/03/43/88/825034388.db2.gz DHROTUOZHLOHFI-QMMMGPOBSA-N 2 0 283.332 -0.859 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001220429219 825036202 /nfs/dbraw/zinc/03/62/02/825036202.db2.gz NQQYFRDVMRIDQX-GUTXKFCHSA-N 2 0 297.399 -0.360 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC001220429192 825036220 /nfs/dbraw/zinc/03/62/20/825036220.db2.gz MVNGOKGDUGWTJX-NEPJUHHUSA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH2+][C@H](C(=O)NC[C@@H]1COCC[NH2+]1)[C@@H](C)OC(C)(C)C ZINC001220429142 825037655 /nfs/dbraw/zinc/03/76/55/825037655.db2.gz LVYXXQFYJFSZTJ-UTUOFQBUSA-N 2 0 287.404 -0.117 20 0 CBADRP O=C(NC1CCN(CCF)CC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220435354 825038051 /nfs/dbraw/zinc/03/80/51/825038051.db2.gz HFXMJNUJUPLDFE-GFCCVEGCSA-N 2 0 284.379 -0.655 20 0 CBADRP N[C@@H](C[NH3+])c1ccc(C(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC001220431589 825038215 /nfs/dbraw/zinc/03/82/15/825038215.db2.gz KKWXIHNTPVWRNA-OLZOCXBDSA-N 2 0 278.356 -0.637 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N[C@H](CO)C(F)(F)F ZINC001220447338 825040809 /nfs/dbraw/zinc/04/08/09/825040809.db2.gz IQFBKTVPVDROLA-JGVFFNPUSA-N 2 0 271.283 -0.128 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1[nH]c(=O)nc2nc[nH]c21 ZINC001220471702 825045619 /nfs/dbraw/zinc/04/56/19/825045619.db2.gz XYDGHFCRKSQOOF-ZETCQYMHSA-N 2 0 293.331 -0.157 20 0 CBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)O1 ZINC001220481442 825046247 /nfs/dbraw/zinc/04/62/47/825046247.db2.gz HHMUPYREHWYXSG-NRWUCQMLSA-N 2 0 285.388 -0.031 20 0 CBADRP Cc1[nH][nH]c(=O)c1CCNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220492409 825048594 /nfs/dbraw/zinc/04/85/94/825048594.db2.gz MLJRNSSXHCHPDT-JTQLQIEISA-N 2 0 269.349 -0.461 20 0 CBADRP [NH3+]C1(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CCCC1 ZINC001220497413 825049589 /nfs/dbraw/zinc/04/95/89/825049589.db2.gz WCEDKDKFUVHQCK-GARJFASQSA-N 2 0 252.362 -0.676 20 0 CBADRP [NH3+]C1(CNC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)CCCC1 ZINC001220494544 825050313 /nfs/dbraw/zinc/05/03/13/825050313.db2.gz MVFVKHGWNXIONB-GWCFXTLKSA-N 2 0 252.362 -0.674 20 0 CBADRP [NH3+]C1(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)CCCC1 ZINC001220494545 825050343 /nfs/dbraw/zinc/05/03/43/825050343.db2.gz MVFVKHGWNXIONB-GXFFZTMASA-N 2 0 252.362 -0.674 20 0 CBADRP COC(C)(CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)OC ZINC001220509013 825051107 /nfs/dbraw/zinc/05/11/07/825051107.db2.gz HBOSCGFVJSTYTG-NSHDSACASA-N 2 0 285.388 -0.014 20 0 CBADRP [NH3+][C@H](CNC(=O)[C@H]1COC2(C[NH2+]C2)CN1)c1ccccc1 ZINC001220501595 825051253 /nfs/dbraw/zinc/05/12/53/825051253.db2.gz RDDFNBNLNOLIHU-CHWSQXEVSA-N 2 0 290.367 -0.867 20 0 CBADRP COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220514397 825051502 /nfs/dbraw/zinc/05/15/02/825051502.db2.gz KEIDVLOVCWWVSO-ZETCQYMHSA-N 2 0 297.315 -0.636 20 0 CBADRP N[C@@]1(C(=O)NC[C@@H]([NH3+])c2ccccc2)CCC[NH2+]C1 ZINC001220499770 825052335 /nfs/dbraw/zinc/05/23/35/825052335.db2.gz CSZXETAUFVCJIQ-OCCSQVGLSA-N 2 0 262.357 -0.117 20 0 CBADRP CN(CC[NH3+])CCNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220517331 825053032 /nfs/dbraw/zinc/05/30/32/825053032.db2.gz HFLKKLBZBBNTBV-LBPRGKRZSA-N 3 0 273.425 -0.948 20 0 CBADRP [NH3+]CCOCCOCCNC(=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001220519481 825054163 /nfs/dbraw/zinc/05/41/63/825054163.db2.gz PTOLFWUVIZYDGG-QWRGUYRKSA-N 2 0 277.340 -0.815 20 0 CBADRP CN(CC[NH3+])CCNC(=O)[C@H]1CC[C@H](C(F)(F)F)C[NH2+]1 ZINC001220516359 825054247 /nfs/dbraw/zinc/05/42/47/825054247.db2.gz UHAWWQPUYBIYJL-VHSXEESVSA-N 2 0 296.337 -0.076 20 0 CBADRP [NH3+]CCOCCOCCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC001220519735 825054630 /nfs/dbraw/zinc/05/46/30/825054630.db2.gz ZYLOLKNMIYYHML-CYBMUJFWSA-N 2 0 281.356 -0.206 20 0 CBADRP CN(CC[NH3+])CCNC(=O)[C@@H]1CC[C@H](C(F)(F)F)C[NH2+]1 ZINC001220516358 825054892 /nfs/dbraw/zinc/05/48/92/825054892.db2.gz UHAWWQPUYBIYJL-UWVGGRQHSA-N 2 0 296.337 -0.076 20 0 CBADRP COC(=O)C[C@@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])c1cccnc1 ZINC001220527203 825056251 /nfs/dbraw/zinc/05/62/51/825056251.db2.gz GHYIMMPFAWFWCK-NWDGAFQWSA-N 2 0 294.355 -0.132 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1nccc(Cl)n1 ZINC001220530225 825058518 /nfs/dbraw/zinc/05/85/18/825058518.db2.gz NZXANWAQNMOBLG-SSDOTTSWSA-N 2 0 257.725 -0.188 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCOc1ccccc1 ZINC001220564480 825063650 /nfs/dbraw/zinc/06/36/50/825063650.db2.gz BHKJXSHQYYGYEB-AWEZNQCLSA-N 2 0 292.383 -0.111 20 0 CBADRP C[C@H]1COCC[C@H]1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220565913 825064280 /nfs/dbraw/zinc/06/42/80/825064280.db2.gz UXAFDLAYLDPAIX-LPEHRKFASA-N 2 0 261.391 -0.453 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@]1(C)CCC[NH2+]1 ZINC001220583740 825070346 /nfs/dbraw/zinc/07/03/46/825070346.db2.gz WSWXRCUVXVUWEG-GFCCVEGCSA-N 2 0 257.334 -0.521 20 0 CBADRP CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220585158 825070474 /nfs/dbraw/zinc/07/04/74/825070474.db2.gz ZKMXQEBAVMRLFD-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001220583667 825071246 /nfs/dbraw/zinc/07/12/46/825071246.db2.gz TVYKKXARSGZHHE-SDDRHHMPSA-N 2 0 299.371 -0.896 20 0 CBADRP COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(F)(F)F ZINC001220587706 825072293 /nfs/dbraw/zinc/07/22/93/825072293.db2.gz HVOXUSIUHVPSJI-NKWVEPMBSA-N 2 0 285.266 -0.337 20 0 CBADRP N=C(NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1cccnc1Cl ZINC001220661133 825081993 /nfs/dbraw/zinc/08/19/93/825081993.db2.gz UAYZEIJSNJXVOZ-VIFPVBQESA-N 2 0 293.758 -0.014 20 0 CBADRP NC1(C(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001220681159 825084140 /nfs/dbraw/zinc/08/41/40/825084140.db2.gz XQJWXDAKJJOJQW-GDNZZTSVSA-N 2 0 266.389 -0.143 20 0 CBADRP N[C@]1(C(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCC[NH2+]C1 ZINC001220680410 825084201 /nfs/dbraw/zinc/08/42/01/825084201.db2.gz AOGSNPCILGEGCR-OWTLIXCDSA-N 2 0 266.389 -0.143 20 0 CBADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1C[NH2+]C[C@H]1O ZINC001220680842 825085138 /nfs/dbraw/zinc/08/51/38/825085138.db2.gz SZLBVCXJLJDDEB-MTVMDMGHSA-N 2 0 253.346 -0.644 20 0 CBADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220678868 825085550 /nfs/dbraw/zinc/08/55/50/825085550.db2.gz OPNRWLBMLFKNHY-RLPMIEJPSA-N 2 0 278.400 -0.273 20 0 CBADRP CC(C)(C)NC(=O)CCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220709091 825089076 /nfs/dbraw/zinc/08/90/76/825089076.db2.gz RAMLTXVDHNJHMS-GFCCVEGCSA-N 2 0 284.404 -0.266 20 0 CBADRP Nc1ncc(CCNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)s1 ZINC001220704914 825089321 /nfs/dbraw/zinc/08/93/21/825089321.db2.gz YHGMHCUJAIVBHA-SECBINFHSA-N 2 0 281.385 -0.807 20 0 CBADRP [NH3+]Cc1ncccc1NC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220711694 825091423 /nfs/dbraw/zinc/09/14/23/825091423.db2.gz RBOCTTXKDJAHDY-TVQRCGJNSA-N 2 0 261.329 -0.570 20 0 CBADRP C[C@H]1COCCN1CCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220725236 825093186 /nfs/dbraw/zinc/09/31/86/825093186.db2.gz OQPQMKFAOFXUKC-WCQYABFASA-N 2 0 284.404 -0.850 20 0 CBADRP C[C@@H]1COCCN1CCNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220725455 825094298 /nfs/dbraw/zinc/09/42/98/825094298.db2.gz RUOXGOSFWJGYCE-NEPJUHHUSA-N 2 0 272.393 -0.720 20 0 CBADRP N[C@@H](C[NH3+])C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001220743625 825095568 /nfs/dbraw/zinc/09/55/68/825095568.db2.gz KDUZQLTYBVZKDX-LBPRGKRZSA-N 2 0 263.345 -0.547 20 0 CBADRP COC(CCCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)OC ZINC001220741029 825096434 /nfs/dbraw/zinc/09/64/34/825096434.db2.gz BPVBEFQLFFPGGU-BXUZGUMPSA-N 2 0 285.388 -0.299 20 0 CBADRP CC(=O)NC[C@H](C)CNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220757042 825096746 /nfs/dbraw/zinc/09/67/46/825096746.db2.gz RAOVPKYDWQYDDJ-JQWIXIFHSA-N 2 0 272.393 -0.279 20 0 CBADRP CC(=O)NCCCCCNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220758683 825097052 /nfs/dbraw/zinc/09/70/52/825097052.db2.gz JIAOIIJZJOBUOH-LBPRGKRZSA-N 2 0 272.393 -0.135 20 0 CBADRP CC(=O)NCCCCCNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220759268 825097390 /nfs/dbraw/zinc/09/73/90/825097390.db2.gz UTRCDGWPWITHJY-NSHDSACASA-N 2 0 258.366 -0.525 20 0 CBADRP CC(=O)NC[C@H](C)CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220756501 825097713 /nfs/dbraw/zinc/09/77/13/825097713.db2.gz FGWHNWGFYRPCKN-WCQYABFASA-N 2 0 296.415 -0.251 20 0 CBADRP CC1(C)[C@H](O)C[C@H]1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220766065 825099033 /nfs/dbraw/zinc/09/90/33/825099033.db2.gz LBMDTEDGFRZKPJ-DJLDLDEBSA-N 2 0 261.391 -0.719 20 0 CBADRP CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220766970 825099330 /nfs/dbraw/zinc/09/93/30/825099330.db2.gz ZAMAKPCTPJDPCW-HBNTYKKESA-N 2 0 255.362 -0.411 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@H]3C[NH2+]C[C@H](O)C3)(C1)CCC2 ZINC001220775240 825100599 /nfs/dbraw/zinc/10/05/99/825100599.db2.gz OPENJJBAEUBSBI-MHDGFBEUSA-N 2 0 267.373 -0.123 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@]34C[NH2+]C[C@H]3CCN4)(C1)CCC2 ZINC001220777513 825100765 /nfs/dbraw/zinc/10/07/65/825100765.db2.gz UCEMYCHZFSVUSV-BEAPCOKYSA-N 2 0 278.400 -0.142 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@H]3C[NH2+]C[C@@H](O)C3)(C1)CCC2 ZINC001220775241 825100939 /nfs/dbraw/zinc/10/09/39/825100939.db2.gz OPENJJBAEUBSBI-UVLXDEKHSA-N 2 0 267.373 -0.123 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@H]3C[NH2+]C[C@@H]3O)(C1)CCC2 ZINC001220779462 825101002 /nfs/dbraw/zinc/10/10/02/825101002.db2.gz TXUJEBHVGTWLND-XRRVDJEJSA-N 2 0 253.346 -0.513 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220775435 825101231 /nfs/dbraw/zinc/10/12/31/825101231.db2.gz XEOHKHBYEYHEDQ-UHTWSYAYSA-N 2 0 269.345 -0.203 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@@H]3C[NH2+]C[C@@H]3O)(C1)CCC2 ZINC001220779460 825101388 /nfs/dbraw/zinc/10/13/88/825101388.db2.gz TXUJEBHVGTWLND-RSLMWUCJSA-N 2 0 253.346 -0.513 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220779197 825101476 /nfs/dbraw/zinc/10/14/76/825101476.db2.gz OQDFPCAGOLGMGQ-OLZOCXBDSA-N 3 0 254.378 -0.155 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220791085 825102160 /nfs/dbraw/zinc/10/21/60/825102160.db2.gz WTQNMOOSVXHCNT-HIFRSBDPSA-N 3 0 291.399 -0.213 20 0 CBADRP O=C(NC[C@H]1CC[NH2+][C@H]1c1cccnc1)[C@H]1C[NH2+]CCN1 ZINC001220791201 825102469 /nfs/dbraw/zinc/10/24/69/825102469.db2.gz XFDFQWGKGDHXNK-MCIONIFRSA-N 2 0 289.383 -0.590 20 0 CBADRP N[C@]1(C(=O)NC[C@@H]2CC[NH2+][C@H]2c2cccnc2)CC[NH2+]C1 ZINC001220789729 825102505 /nfs/dbraw/zinc/10/25/05/825102505.db2.gz MSLIHQWFGVAOOL-KCQAQPDRSA-N 2 0 289.383 -0.461 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220791088 825102760 /nfs/dbraw/zinc/10/27/60/825102760.db2.gz WTQNMOOSVXHCNT-ZFWWWQNUSA-N 3 0 291.399 -0.213 20 0 CBADRP N[C@]1(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)CC[NH2+]C1 ZINC001220805508 825103973 /nfs/dbraw/zinc/10/39/73/825103973.db2.gz SJEIDGBESHKWDT-NQMVMOMDSA-N 2 0 280.294 -0.666 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220800952 825104048 /nfs/dbraw/zinc/10/40/48/825104048.db2.gz WDJGZTPBCQGYIX-HRDYMLBCSA-N 2 0 297.277 -0.467 20 0 CBADRP N[C@]1(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)CC[NH2+]C1 ZINC001220805511 825104130 /nfs/dbraw/zinc/10/41/30/825104130.db2.gz SJEIDGBESHKWDT-QXFUBDJGSA-N 2 0 280.294 -0.666 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220804161 825104152 /nfs/dbraw/zinc/10/41/52/825104152.db2.gz NDMCOWRXQGUWEL-UWVGGRQHSA-N 2 0 294.321 -0.452 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@@H]1C[NH2+]CCN1 ZINC001220803692 825104204 /nfs/dbraw/zinc/10/42/04/825104204.db2.gz KBLOXGRWKGGUFQ-VGMNWLOBSA-N 2 0 280.294 -0.796 20 0 CBADRP [NH3+][C@@H](C(=O)NCCN1CCC(F)(F)C1)C1CC[NH2+]CC1 ZINC001220808226 825104610 /nfs/dbraw/zinc/10/46/10/825104610.db2.gz MGTBIKXKCLWLGP-LLVKDONJSA-N 2 0 290.358 -0.230 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220800640 825104679 /nfs/dbraw/zinc/10/46/79/825104679.db2.gz SLRXOEPTPGJRMR-HRDYMLBCSA-N 3 0 282.310 -0.291 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220802943 825104692 /nfs/dbraw/zinc/10/46/92/825104692.db2.gz AJMFLVTVLCATRW-JBDRJPRFSA-N 2 0 280.294 -0.810 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@H]1[NH2+]CC[C@H]1O ZINC001220805764 825104712 /nfs/dbraw/zinc/10/47/12/825104712.db2.gz VDDMNVRSHWVRMU-BGZDPUMWSA-N 2 0 281.278 -0.634 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]([NH3+])C(C)C)C[NH2+]C1 ZINC001220827174 825107102 /nfs/dbraw/zinc/10/71/02/825107102.db2.gz IYQNDQADGVTDFO-SNVBAGLBSA-N 2 0 255.318 -0.494 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](C)O)C[C@@H]1O ZINC001220825664 825107319 /nfs/dbraw/zinc/10/73/19/825107319.db2.gz ABYKFHKXCCECDD-UPJWGTAASA-N 2 0 287.404 -0.740 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C[C@H]2CC[NH2+]C[C@H]2F)C[NH2+]C1 ZINC001220828051 825108330 /nfs/dbraw/zinc/10/83/30/825108330.db2.gz FFBHIPKKUXDFRA-MWLCHTKSSA-N 2 0 299.346 -0.139 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]([NH3+])C(C)(C)C)C[NH2+]C1 ZINC001220827669 825108629 /nfs/dbraw/zinc/10/86/29/825108629.db2.gz XEMYMETWXDGGDY-JTQLQIEISA-N 2 0 269.345 -0.104 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CC[NH2+]C[C@H]2F)C[NH2+]C1 ZINC001220830045 825109031 /nfs/dbraw/zinc/10/90/31/825109031.db2.gz LNRKSDSOKJWCBB-PSASIEDQSA-N 2 0 285.319 -0.529 20 0 CBADRP CCOC(=O)C1=C(NC(=O)c2ccc(C[NH3+])nc2)C[NH2+]C1 ZINC001220831891 825109886 /nfs/dbraw/zinc/10/98/86/825109886.db2.gz MFTJTRULUIMTAP-UHFFFAOYSA-N 2 0 290.323 -0.310 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@H]2CCC[NH2+][C@H]2C)C[NH2+]C1 ZINC001220851121 825112559 /nfs/dbraw/zinc/11/25/59/825112559.db2.gz IQJBVXUGDLQWHA-UWVGGRQHSA-N 2 0 269.345 -0.604 20 0 CBADRP [NH3+]Cc1ccccc1CNC(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220855102 825113762 /nfs/dbraw/zinc/11/37/62/825113762.db2.gz LXVOXAPXAOWTOR-ZFWWWQNUSA-N 2 0 274.368 -0.287 20 0 CBADRP N[C@]1(C(=O)NCc2ccccc2C[NH3+])CCC[NH2+]C1 ZINC001220855060 825113968 /nfs/dbraw/zinc/11/39/68/825113968.db2.gz KOAXAEXBMKBFPO-CQSZACIVSA-N 2 0 262.357 -0.158 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCCO[C@H]1CCCCO1 ZINC001220862327 825115740 /nfs/dbraw/zinc/11/57/40/825115740.db2.gz XLGPAPRDZXDVDT-MNOVXSKESA-N 2 0 259.350 -0.288 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@@H]1C[C@H]1C(=O)OC ZINC001220881925 825118992 /nfs/dbraw/zinc/11/89/92/825118992.db2.gz QCQYGIJLBSAIGC-AXFHLTTASA-N 2 0 271.361 -0.371 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220881431 825119008 /nfs/dbraw/zinc/11/90/08/825119008.db2.gz KMAYEOMPYUBKNN-IJLUTSLNSA-N 2 0 295.383 -0.214 20 0 CBADRP COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220881538 825119072 /nfs/dbraw/zinc/11/90/72/825119072.db2.gz MGUJRMDZIDSQAA-TUAOUCFPSA-N 2 0 285.388 -0.029 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1C[NH2+]Cc2ccnn2C1 ZINC001220882605 825119900 /nfs/dbraw/zinc/11/99/00/825119900.db2.gz XFJAEKACNXZSPP-MNOVXSKESA-N 2 0 263.345 -0.529 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@H]1C[C@@H]1C(=O)OC ZINC001220881931 825119933 /nfs/dbraw/zinc/11/99/33/825119933.db2.gz QCQYGIJLBSAIGC-VWYCJHECSA-N 2 0 271.361 -0.371 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220890481 825120948 /nfs/dbraw/zinc/12/09/48/825120948.db2.gz XIRFYPTWPKSTPJ-RYUDHWBXSA-N 2 0 270.377 -0.512 20 0 CBADRP C[NH2+][C@@H]1CCCN(CC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC001220890473 825120995 /nfs/dbraw/zinc/12/09/95/825120995.db2.gz XHGUSAXXZZPMBG-NWDGAFQWSA-N 2 0 254.378 -0.462 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220887297 825121025 /nfs/dbraw/zinc/12/10/25/825121025.db2.gz ZKYURZHEVPXJIG-DCAQKATOSA-N 2 0 268.361 -0.807 20 0 CBADRP [NH3+]C1(C(=O)N[C@H]2CCC[NH2+]C2)CCC2(CC1)OCCO2 ZINC001220887030 825121598 /nfs/dbraw/zinc/12/15/98/825121598.db2.gz SBZLOPRHDQAKNC-NSHDSACASA-N 2 0 283.372 -0.131 20 0 CBADRP CC(C)C[C@@](C)([NH3+])C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220903179 825122586 /nfs/dbraw/zinc/12/25/86/825122586.db2.gz OLSBSYPYONOPJQ-LLVKDONJSA-N 2 0 290.368 -0.586 20 0 CBADRP COC(=O)C[C@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])c1ccccn1 ZINC001220901246 825122641 /nfs/dbraw/zinc/12/26/41/825122641.db2.gz VEESRPXOYKQUFF-JQWIXIFHSA-N 2 0 294.355 -0.132 20 0 CBADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@H]2[NH2+]CC[C@H]2O)C2COC2)CC1 ZINC001220931006 825123795 /nfs/dbraw/zinc/12/37/95/825123795.db2.gz WOMIKLDSMZBSBD-WFFHOREQSA-N 2 0 283.372 -0.794 20 0 CBADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C[C@H]1F ZINC001220937438 825126760 /nfs/dbraw/zinc/12/67/60/825126760.db2.gz RJQVIAMTCMWTHY-OUAUKWLOSA-N 2 0 259.325 -0.571 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220940994 825127507 /nfs/dbraw/zinc/12/75/07/825127507.db2.gz JUUFZEYNPOQYCM-SRVKXCTJSA-N 2 0 293.371 -0.211 20 0 CBADRP O=C(N[C@@H]1CCCc2nccnc21)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220948921 825127516 /nfs/dbraw/zinc/12/75/16/825127516.db2.gz KGXGELIQCNDGEP-ZYHUDNBSSA-N 2 0 287.367 -0.221 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937331 825127594 /nfs/dbraw/zinc/12/75/94/825127594.db2.gz PHNSQLIKKZJPSS-OLZOCXBDSA-N 3 0 286.420 -0.460 20 0 CBADRP O=C(NCCO[C@H]1CC[NH2+]C1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001220937467 825127690 /nfs/dbraw/zinc/12/76/90/825127690.db2.gz SCZHAFHHPBANDY-ZDEQEGDKSA-N 2 0 283.372 -0.752 20 0 CBADRP N[C@H](C[NH3+])c1ccc(C(=O)NCCO[C@H]2CC[NH2+]C2)cc1 ZINC001220939827 825127887 /nfs/dbraw/zinc/12/78/87/825127887.db2.gz XNRRWBYINGBTNM-UONOGXRCSA-N 2 0 292.383 -0.247 20 0 CBADRP N=c1ncc(C[NH3+])cn1C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001220950954 825128320 /nfs/dbraw/zinc/12/83/20/825128320.db2.gz LPWIIVLPPVGNDT-GARJFASQSA-N 2 0 277.328 -0.772 20 0 CBADRP CC1(C)C[C@H](CNC(=O)[C@H]2C[NH2+]C[C@@H]2N)CCO1 ZINC001220953000 825128876 /nfs/dbraw/zinc/12/88/76/825128876.db2.gz JYXYFTOYCAACEH-VWYCJHECSA-N 2 0 255.362 -0.146 20 0 CBADRP N=c1ncc(C[NH3+])cn1C(=O)c1cccc(C[NH3+])c1 ZINC001220951403 825129036 /nfs/dbraw/zinc/12/90/36/825129036.db2.gz ZMCQDEUUIBCDJJ-UHFFFAOYSA-N 2 0 257.297 -0.032 20 0 CBADRP N[C@@H](C[NH3+])C(=O)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001220982764 825131268 /nfs/dbraw/zinc/13/12/68/825131268.db2.gz KXZXXNUPABYZBJ-LBPRGKRZSA-N 2 0 280.347 -0.112 20 0 CBADRP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220978198 825131663 /nfs/dbraw/zinc/13/16/63/825131663.db2.gz RBROUQHGPQMJHL-UPJWGTAASA-N 2 0 285.388 -0.864 20 0 CBADRP CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220977822 825131886 /nfs/dbraw/zinc/13/18/86/825131886.db2.gz DDDOZZMDRJSGKB-MCIONIFRSA-N 2 0 299.415 -0.476 20 0 CBADRP COCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976438 825132631 /nfs/dbraw/zinc/13/26/31/825132631.db2.gz ZHKPMVDEESNCCV-MJBXVCDLSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]2[NH3+])CC1 ZINC001221006393 825133634 /nfs/dbraw/zinc/13/36/34/825133634.db2.gz FRASVOGRAWTCDA-CYDGBPFRSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCO1 ZINC001221007825 825135502 /nfs/dbraw/zinc/13/55/02/825135502.db2.gz DXOGHALTJFNUIB-MXWKQRLJSA-N 2 0 253.346 -0.521 20 0 CBADRP Cc1nnc(CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])o1 ZINC001221010555 825135550 /nfs/dbraw/zinc/13/55/50/825135550.db2.gz KMSSEIAUTJIRDK-VIFPVBQESA-N 2 0 255.322 -0.159 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)N[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC001221056217 825139620 /nfs/dbraw/zinc/13/96/20/825139620.db2.gz JSEOHBIPNGTEBW-SYQHCUMBSA-N 2 0 296.415 -0.565 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001221056462 825139783 /nfs/dbraw/zinc/13/97/83/825139783.db2.gz TYOHTNGWOXVUCV-IHRRRGAJSA-N 3 0 298.431 -0.188 20 0 CBADRP [NH3+]CCN(C(=O)[C@H]1[NH2+]CC[C@H]1O)c1ccc(F)cc1 ZINC001221060842 825140460 /nfs/dbraw/zinc/14/04/60/825140460.db2.gz QOVOBYFWNRSSAS-NEPJUHHUSA-N 2 0 267.304 -0.160 20 0 CBADRP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073085 825141544 /nfs/dbraw/zinc/14/15/44/825141544.db2.gz FSJOJYAYIBUNMF-MJBXVCDLSA-N 2 0 299.415 -0.596 20 0 CBADRP COc1cccc(C2(NC(=O)[C@@H](N)C[NH3+])CC[NH2+]CC2)c1 ZINC001221093997 825143798 /nfs/dbraw/zinc/14/37/98/825143798.db2.gz CLSZUAXRPUVPGX-ZDUSSCGKSA-N 2 0 292.383 -0.324 20 0 CBADRP N[C@@H](C[NH3+])C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221121792 825145626 /nfs/dbraw/zinc/14/56/26/825145626.db2.gz RRIOAHCGGRTGSI-NSHDSACASA-N 2 0 263.345 -0.938 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001221134173 825146337 /nfs/dbraw/zinc/14/63/37/825146337.db2.gz ODZKONSIYVERAG-LBPRGKRZSA-N 3 0 296.415 -0.848 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)CC1 ZINC001221136909 825146670 /nfs/dbraw/zinc/14/66/70/825146670.db2.gz XOESWDDLNUYIRY-QWRGUYRKSA-N 2 0 271.361 -0.934 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001221136528 825146920 /nfs/dbraw/zinc/14/69/20/825146920.db2.gz PZOVSWRPWNVAQW-ZDUSSCGKSA-N 3 0 298.431 -0.330 20 0 CBADRP N[C@@H](C[NH3+])C(=O)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221129091 825147228 /nfs/dbraw/zinc/14/72/28/825147228.db2.gz URMPURQRFHDKDM-LBPRGKRZSA-N 2 0 268.405 -0.051 20 0 CBADRP CCn1cc(NC(=O)[C@H]([NH3+])CCC[NH3+])ccc1=O ZINC001221176489 825150610 /nfs/dbraw/zinc/15/06/10/825150610.db2.gz AQHHEAVCALTKRF-SNVBAGLBSA-N 2 0 252.318 -0.127 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)C1CC[NH2+]CC1 ZINC001221187618 825151007 /nfs/dbraw/zinc/15/10/07/825151007.db2.gz CBZKTCGLYPSZMN-JTQLQIEISA-N 2 0 257.334 -0.617 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])CC(F)F ZINC001221190081 825151076 /nfs/dbraw/zinc/15/10/76/825151076.db2.gz BOJSPDSATFBYPZ-BQBZGAKWSA-N 2 0 267.276 -0.634 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC001221188540 825151414 /nfs/dbraw/zinc/15/14/14/825151414.db2.gz XHVONHJKLWAFPL-DCAQKATOSA-N 2 0 271.361 -0.229 20 0 CBADRP CC(C)(C)[NH+]1CC(NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC001221194075 825153601 /nfs/dbraw/zinc/15/36/01/825153601.db2.gz LCUFHNTWGDJGSO-JTQLQIEISA-N 2 0 255.362 -0.036 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1cc2ccccn2n1 ZINC001221234904 825156768 /nfs/dbraw/zinc/15/67/68/825156768.db2.gz NJVRREYHFUVAGE-LBPRGKRZSA-N 2 0 293.396 -0.030 20 0 CBADRP O=C(NCc1cc2ccccn2n1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221234960 825158245 /nfs/dbraw/zinc/15/82/45/825158245.db2.gz PGPNQTKNVALUMA-ZDUSSCGKSA-N 2 0 285.351 -0.241 20 0 CBADRP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1 ZINC001221241067 825158855 /nfs/dbraw/zinc/15/88/55/825158855.db2.gz MXVWQWCULAAJRX-OXHZDVMGSA-N 2 0 266.389 -0.191 20 0 CBADRP C[N@@H+]1CCC[C@](C)(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001221241252 825158990 /nfs/dbraw/zinc/15/89/90/825158990.db2.gz QZQWTGQWZPDSKX-YPMHNXCESA-N 3 0 266.389 -0.604 20 0 CBADRP C[C@@]1([NH3+])C[C@H](NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001221239502 825159231 /nfs/dbraw/zinc/15/92/31/825159231.db2.gz PBBVTOSZBKHNBG-GMXVVIOVSA-N 3 0 266.389 -0.143 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221245921 825160782 /nfs/dbraw/zinc/16/07/82/825160782.db2.gz IOZNULYJAMDITO-DGCLKSJQSA-N 2 0 255.362 -0.265 20 0 CBADRP C[N@@H+]1CCC[C@@](C)(NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC001221243525 825160964 /nfs/dbraw/zinc/16/09/64/825160964.db2.gz KAGADXUKTAGTPE-DGCLKSJQSA-N 2 0 255.362 -0.035 20 0 CBADRP C[N@@H+]1CCC[C@](C)(NC(=O)[C@H](N)CN2CCC([NH3+])CC2)C1 ZINC001221243745 825160985 /nfs/dbraw/zinc/16/09/85/825160985.db2.gz MGLGPWIEKITUKQ-HIFRSBDPSA-N 3 0 297.447 -0.663 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CC[S@@](C)=O)C1 ZINC001221254756 825161597 /nfs/dbraw/zinc/16/15/97/825161597.db2.gz SFHDIOZURJBVMU-FJHFEUQMSA-N 2 0 261.391 -0.850 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001221253916 825161651 /nfs/dbraw/zinc/16/16/51/825161651.db2.gz BMKZXZMZTVACAL-QWHCGFSZSA-N 3 0 280.416 -0.072 20 0 CBADRP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001221246340 825161798 /nfs/dbraw/zinc/16/17/98/825161798.db2.gz YFYIXSWZXVLPAN-FVQBIDKESA-N 2 0 292.427 -0.024 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001221254836 825161807 /nfs/dbraw/zinc/16/18/07/825161807.db2.gz WOVVXKADBKWEQT-GVXVVHGQSA-N 2 0 284.404 -0.456 20 0 CBADRP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@@H]1C[NH2+]CCN1 ZINC001221248374 825162664 /nfs/dbraw/zinc/16/26/64/825162664.db2.gz UGUPHJQIICFSFG-GXTWGEPZSA-N 2 0 266.389 -0.414 20 0 CBADRP CCOC(=O)/C=C(/NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)OCC ZINC001221262602 825163148 /nfs/dbraw/zinc/16/31/48/825163148.db2.gz JTSLOONIKIWZBI-FUWURINLSA-N 2 0 299.371 -0.130 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N[C@@H]1CCCNC(=O)C1 ZINC001221269485 825164783 /nfs/dbraw/zinc/16/47/83/825164783.db2.gz NUCVIYISEFZAGL-WDEREUQCSA-N 2 0 270.377 -0.382 20 0 CBADRP O=C(N[C@@H]1CCCNC(=O)C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221269556 825165988 /nfs/dbraw/zinc/16/59/88/825165988.db2.gz PZSNXKYHRZFYHB-NEPJUHHUSA-N 2 0 294.399 -0.355 20 0 CBADRP O=C(N[C@H]1CCC[C@H]1CO)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221306370 825167786 /nfs/dbraw/zinc/16/77/86/825167786.db2.gz QFCLXFOGQMQVOV-AXFHLTTASA-N 2 0 253.346 -0.927 20 0 CBADRP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001221332752 825172766 /nfs/dbraw/zinc/17/27/66/825172766.db2.gz MDUOFAHLAALXFY-IHRRRGAJSA-N 2 0 275.352 -0.379 20 0 CBADRP NC(=O)C1CC[NH+](CCC(=O)NCCCC[NH3+])CC1 ZINC001221344703 825174844 /nfs/dbraw/zinc/17/48/44/825174844.db2.gz DDUOPHLRLYLXLG-UHFFFAOYSA-N 2 0 270.377 -0.571 20 0 CBADRP [NH3+]CCCCNC(=O)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001221349549 825175184 /nfs/dbraw/zinc/17/51/84/825175184.db2.gz ZEXNVWSJLWHZMZ-ZDUSSCGKSA-N 2 0 268.405 -0.085 20 0 CBADRP [NH3+]CCCCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221345083 825175231 /nfs/dbraw/zinc/17/52/31/825175231.db2.gz NTCIMXNQLAFYRY-NSHDSACASA-N 3 0 254.378 -0.284 20 0 CBADRP O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221339680 825175239 /nfs/dbraw/zinc/17/52/39/825175239.db2.gz MKMAHTMZFCZOLJ-WHOHXGKFSA-N 2 0 265.357 -0.378 20 0 CBADRP C[N@@H+]1C[C@H](C(=O)NCCCC[NH3+])OC2(CC[NH2+]CC2)C1 ZINC001221344828 825175311 /nfs/dbraw/zinc/17/53/11/825175311.db2.gz FSSXTBICBBZNFR-GFCCVEGCSA-N 3 0 284.404 -0.706 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221365723 825176569 /nfs/dbraw/zinc/17/65/69/825176569.db2.gz HQQCAOJLPPZJAF-GRYCIOLGSA-N 2 0 288.367 -0.564 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@@H](CO)c1ccccc1 ZINC001221378598 825178817 /nfs/dbraw/zinc/17/88/17/825178817.db2.gz YIDBABZEPCUGSY-STQMWFEESA-N 2 0 265.357 -0.055 20 0 CBADRP CCCC(C[NH3+])(CCC)NC(=O)[C@@H]1C[NH2+]CCN1 ZINC001221373058 825179346 /nfs/dbraw/zinc/17/93/46/825179346.db2.gz DZDURCFJEIMNNG-NSHDSACASA-N 2 0 256.394 -0.038 20 0 CBADRP NC1=CC=C(C2CCN(C(=O)CNCC[NH3+])CC2)[NH2+]C1 ZINC001221392983 825180057 /nfs/dbraw/zinc/18/00/57/825180057.db2.gz RWLFUTRPXOUWAZ-UHFFFAOYSA-N 2 0 279.388 -0.897 20 0 CBADRP NC1=CC=C(C2CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)CC2)[NH2+]C1 ZINC001221392406 825180266 /nfs/dbraw/zinc/18/02/66/825180266.db2.gz LQCNMMHQXIUHGX-STQMWFEESA-N 2 0 291.399 -0.899 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C[C@H]1COCC[NH2+]1 ZINC001221390596 825180633 /nfs/dbraw/zinc/18/06/33/825180633.db2.gz GUIFLLJQADZFAM-NSHDSACASA-N 3 0 285.392 -0.571 20 0 CBADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1C[NH2+]C[C@H]1O ZINC001221399570 825182408 /nfs/dbraw/zinc/18/24/08/825182408.db2.gz RFBMZXPAYGQFSO-MELADBBJSA-N 2 0 275.352 -0.603 20 0 CBADRP C[NH+](C)CC1CCC(NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)CC1 ZINC001221403496 825182664 /nfs/dbraw/zinc/18/26/64/825182664.db2.gz UIKGTCPVZWKWLG-KPFVRQRISA-N 2 0 268.405 -0.088 20 0 CBADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@@H](N)CC[NH3+])c1 ZINC001221403267 825183254 /nfs/dbraw/zinc/18/32/54/825183254.db2.gz ATZGFLXWDRUGGI-RYUDHWBXSA-N 2 0 266.345 -0.513 20 0 CBADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@H]2C[NH2+]C[C@H]2O)c1 ZINC001221404215 825183659 /nfs/dbraw/zinc/18/36/59/825183659.db2.gz LNGPGVGUZVPGEF-RWMBFGLXSA-N 2 0 279.340 -0.609 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1C[C@@H]1C1CC1 ZINC001221407037 825184135 /nfs/dbraw/zinc/18/41/35/825184135.db2.gz KFTFRQWSXBDAAJ-FRRDWIJNSA-N 2 0 266.389 -0.349 20 0 CBADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@H]([NH3+])CCC[NH3+])c1 ZINC001221407308 825184466 /nfs/dbraw/zinc/18/44/66/825184466.db2.gz XTKQNRZJTQLTKO-CHWSQXEVSA-N 3 0 280.372 -0.123 20 0 CBADRP C[C@]1(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCCOC1 ZINC001221403792 825184499 /nfs/dbraw/zinc/18/44/99/825184499.db2.gz XNZURPFAHZFXKY-JQWIXIFHSA-N 2 0 253.346 -0.519 20 0 CBADRP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@H]1C[NH2+]CCN1 ZINC001221408284 825185289 /nfs/dbraw/zinc/18/52/89/825185289.db2.gz HYSBKYRGOUMKKJ-NEPJUHHUSA-N 2 0 252.362 -0.948 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)[C@H](C)C1 ZINC001221409884 825185792 /nfs/dbraw/zinc/18/57/92/825185792.db2.gz VLYXPNZIGUPLRY-FVCCEPFGSA-N 2 0 269.389 -0.056 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)CNCC[NH3+])[C@H](C)C1 ZINC001221410608 825185975 /nfs/dbraw/zinc/18/59/75/825185975.db2.gz SMDIDDDPHRDLOE-NEPJUHHUSA-N 2 0 256.394 -0.230 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2[NH2+]CC[C@@H]2O)[C@H](C)C1 ZINC001221408459 825186019 /nfs/dbraw/zinc/18/60/19/825186019.db2.gz JMJWVYIMDYSTJI-NDBYEHHHSA-N 2 0 269.389 -0.056 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)CNCC[NH3+])[C@@H](C)C1 ZINC001221410610 825186277 /nfs/dbraw/zinc/18/62/77/825186277.db2.gz SMDIDDDPHRDLOE-RYUDHWBXSA-N 2 0 256.394 -0.230 20 0 CBADRP N[C@]1(C(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)CC[NH2+]C1 ZINC001221409865 825186293 /nfs/dbraw/zinc/18/62/93/825186293.db2.gz PGIKRWFUYQKMJO-WCQYABFASA-N 2 0 252.362 -0.819 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)N[C@H](C2CCC2)C2C[NH2+]C2)C1 ZINC001221411415 825186730 /nfs/dbraw/zinc/18/67/30/825186730.db2.gz WBYZVHCCHPMEAU-GRYCIOLGSA-N 2 0 252.362 -0.820 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221411930 825187062 /nfs/dbraw/zinc/18/70/62/825187062.db2.gz ZOJVMXCDFYUGPG-NWDGAFQWSA-N 3 0 286.445 -0.490 20 0 CBADRP C[C@H](C(N)=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221777041 825193759 /nfs/dbraw/zinc/19/37/59/825193759.db2.gz OYQCERQDFDIWKF-JHJVBQTASA-N 2 0 296.415 -0.265 20 0 CBADRP CNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791338 825193876 /nfs/dbraw/zinc/19/38/76/825193876.db2.gz HGEMBKWJJXDHQQ-JHJVBQTASA-N 2 0 296.415 -0.395 20 0 CBADRP C[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221777042 825194579 /nfs/dbraw/zinc/19/45/79/825194579.db2.gz OYQCERQDFDIWKF-YNEHKIRRSA-N 2 0 296.415 -0.265 20 0 CBADRP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001221883908 825197056 /nfs/dbraw/zinc/19/70/56/825197056.db2.gz ZQGLZSUKTCIPBE-CHWSQXEVSA-N 2 0 269.389 -0.147 20 0 CBADRP Nc1cnc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cn1 ZINC001222104402 825200633 /nfs/dbraw/zinc/20/06/33/825200633.db2.gz GATQFQWLEBSEQA-UHFFFAOYSA-N 2 0 262.361 -0.414 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001222414835 825210082 /nfs/dbraw/zinc/21/00/82/825210082.db2.gz ORVSVMXTWBJEEF-QWRGUYRKSA-N 2 0 271.361 -0.452 20 0 CBADRP C([C@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@@]2(CCCCN2)C1 ZINC001222666266 825220568 /nfs/dbraw/zinc/22/05/68/825220568.db2.gz ANNBWHSJFPTERM-KGLIPLIRSA-N 2 0 268.405 -0.608 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CC[C@@H]3[NH2+]CCO[C@H]3C2)O1 ZINC001222697336 825222179 /nfs/dbraw/zinc/22/21/79/825222179.db2.gz ZFFNMTQPDZJJCN-SRVKXCTJSA-N 2 0 255.362 -0.226 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001223425515 825229459 /nfs/dbraw/zinc/22/94/59/825229459.db2.gz VXXMFVGSRZAPHV-OLZOCXBDSA-N 2 0 269.389 -0.147 20 0 CBADRP C[NH+](C)C1(C(=O)NCC2CC[NH+](CC(N)=O)CC2)CCC1 ZINC001223472403 825229796 /nfs/dbraw/zinc/22/97/96/825229796.db2.gz QJDDEQMYGUPSDC-UHFFFAOYSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001225087477 825253770 /nfs/dbraw/zinc/25/37/70/825253770.db2.gz GMPRSAXNETVMKM-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2CC[NH+](CC(N)=O)CC2)C1 ZINC001225168153 825255084 /nfs/dbraw/zinc/25/50/84/825255084.db2.gz OGNWRLPFXDYKIC-ZDUSSCGKSA-N 2 0 296.415 -0.358 20 0 CBADRP CNC(=O)C[NH+]1CCC(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001225578151 825259813 /nfs/dbraw/zinc/25/98/13/825259813.db2.gz QTBAXJVXFNZBON-UHFFFAOYSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](C(N)=O)N1CCC(NC(=O)CCn2ccnc2)CC1 ZINC001228516223 825319326 /nfs/dbraw/zinc/31/93/26/825319326.db2.gz HZOKGRJXZCZGAA-NSHDSACASA-N 2 0 293.371 -0.272 20 0 CBADRP C[NH+](C)CCC(=O)NC1CC[NH+](CCCO)CC1 ZINC001229008009 825326367 /nfs/dbraw/zinc/32/63/67/825326367.db2.gz HQIUEJUHVVXRFC-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP C[C@H](O)C[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230048631 825341760 /nfs/dbraw/zinc/34/17/60/825341760.db2.gz KZPZZTAEURNPED-LBPRGKRZSA-N 2 0 287.404 -0.474 20 0 CBADRP COCC[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230035031 825341766 /nfs/dbraw/zinc/34/17/66/825341766.db2.gz OTQROHHFHNNNFU-UHFFFAOYSA-N 2 0 287.404 -0.208 20 0 CBADRP CCC[N@H+](C)CC(=O)NC1CC[NH+](CCO)CC1 ZINC001230115161 825342421 /nfs/dbraw/zinc/34/24/21/825342421.db2.gz BKHYMVJYPJTIPG-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP O=C(C[NH+]1CCCC1)NC1CC[NH+](CCOCCO)CC1 ZINC001230267729 825344120 /nfs/dbraw/zinc/34/41/20/825344120.db2.gz HMMCIESYTCHYFA-UHFFFAOYSA-N 2 0 299.415 -0.328 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](CCOCCO)CC2)C1 ZINC001230262570 825344291 /nfs/dbraw/zinc/34/42/91/825344291.db2.gz GOPPCYKTAONNLG-ZDUSSCGKSA-N 2 0 299.415 -0.472 20 0 CBADRP C(CN1CCN2CC[NH2+]C[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC001234974508 825477924 /nfs/dbraw/zinc/47/79/24/825477924.db2.gz KXEHWHNHQOGADS-ZIAGYGMSSA-N 2 0 252.406 -0.035 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CCN3CC[NH2+]C[C@H]3C2)O1 ZINC001234972446 825479029 /nfs/dbraw/zinc/47/90/29/825479029.db2.gz BNIJUVWTCCMMFQ-RYUDHWBXSA-N 2 0 254.378 -0.700 20 0 CBADRP C(CN1CCNC[C@@]12CC[NH2+]C2)[C@H]1C[NH2+]CCO1 ZINC001234981592 825479802 /nfs/dbraw/zinc/47/98/02/825479802.db2.gz OTHVDCGYVYWFPY-STQMWFEESA-N 2 0 254.378 -0.998 20 0 CBADRP C[N@@H+]1CCC[C@@H](CN2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001235056319 825484941 /nfs/dbraw/zinc/48/49/41/825484941.db2.gz XSVJHPYNQCLGHY-KGLIPLIRSA-N 2 0 252.406 -0.035 20 0 CBADRP c1nc2n(c1CN1CC[C@H]3[NH2+]CC[C@H]31)CC[NH2+]CC2 ZINC001235076916 825486612 /nfs/dbraw/zinc/48/66/12/825486612.db2.gz JUPGJSIBVUNGHW-CHWSQXEVSA-N 2 0 261.373 -0.035 20 0 CBADRP O=C(C1CC[NH+](CCCCO)CC1)N1CC[NH2+]CC1 ZINC001235297658 825492601 /nfs/dbraw/zinc/49/26/01/825492601.db2.gz FCHORNWNTFADIW-UHFFFAOYSA-N 2 0 269.389 -0.097 20 0 CBADRP OC[C@@H]1C[NH2+]CCN1C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001235440046 825495574 /nfs/dbraw/zinc/49/55/74/825495574.db2.gz FIYHPBMRAPMLMK-GJZGRUSLSA-N 2 0 261.369 -0.033 20 0 CBADRP CNC(=O)CN1C(=O)CC[C@]12CCC[N@H+](CCCC[NH3+])C2 ZINC001235520095 825499880 /nfs/dbraw/zinc/49/98/80/825499880.db2.gz ZASWBLVTNLESRW-HNNXBMFYSA-N 2 0 296.415 -0.072 20 0 CBADRP C[C@H]([NH3+])CN1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001235541809 825500697 /nfs/dbraw/zinc/50/06/97/825500697.db2.gz PSXZCVPRJIMAOV-ZDUSSCGKSA-N 2 0 292.431 -0.207 20 0 CBADRP CN1CCN(C)C2(CC[NH+](CCCC[NH3+])CC2)C1=O ZINC001235539405 825500988 /nfs/dbraw/zinc/50/09/88/825500988.db2.gz XPIVOTLTNAINPS-UHFFFAOYSA-N 2 0 268.405 -0.036 20 0 CBADRP CC(=O)N1CCOC[C@]2(C[N@H+](CCCC[NH3+])CCO2)C1 ZINC001235543159 825501578 /nfs/dbraw/zinc/50/15/78/825501578.db2.gz UUUOZDRRYKJTIF-AWEZNQCLSA-N 2 0 285.388 -0.325 20 0 CBADRP C[C@H]([NH3+])CN1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001235546775 825503054 /nfs/dbraw/zinc/50/30/54/825503054.db2.gz MKRJRXMMOUSMNB-BFHYXJOUSA-N 2 0 298.431 -0.556 20 0 CBADRP [NH3+]CCCC[N@@H+]1CCCn2nnc(Cn3cnnc3)c2C1 ZINC001235613612 825506145 /nfs/dbraw/zinc/50/61/45/825506145.db2.gz ABALDMFLGVMEOB-UHFFFAOYSA-N 2 0 290.375 -0.138 20 0 CBADRP COCCN1CCO[C@H]2C[N@H+](CCCC[NH3+])CC[C@H]2C1=O ZINC001235595361 825507144 /nfs/dbraw/zinc/50/71/44/825507144.db2.gz BHZXACYFFHXHID-KGLIPLIRSA-N 2 0 299.415 -0.079 20 0 CBADRP CC1(CN2CC[NH2+]CCNCC[NH2+]CC2)COC1 ZINC001235869095 825514964 /nfs/dbraw/zinc/51/49/64/825514964.db2.gz KCYHMIUBJMSGDF-UHFFFAOYSA-N 2 0 256.394 -0.893 20 0 CBADRP CCc1nc(C)c(CN2CC[NH2+]CCNCC[NH2+]CC2)[nH]1 ZINC001235869037 825515139 /nfs/dbraw/zinc/51/51/39/825515139.db2.gz IOEWRKLFJUZSBK-UHFFFAOYSA-N 2 0 294.447 -0.135 20 0 CBADRP c1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)no1 ZINC001235868141 825515164 /nfs/dbraw/zinc/51/51/64/825515164.db2.gz AXZNWLWRIZVHLP-UHFFFAOYSA-N 2 0 253.350 -0.741 20 0 CBADRP c1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)co1 ZINC001235871368 825516298 /nfs/dbraw/zinc/51/62/98/825516298.db2.gz UDQBYJWQIMNNBQ-UHFFFAOYSA-N 2 0 252.362 -0.136 20 0 CBADRP C(C1CCOCC1)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235866595 825515754 /nfs/dbraw/zinc/51/57/54/825515754.db2.gz XXGBHABQVFXWGO-UHFFFAOYSA-N 2 0 270.421 -0.503 20 0 CBADRP CCn1ccnc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869088 825515838 /nfs/dbraw/zinc/51/58/38/825515838.db2.gz JUDOKWGJYDFILX-UHFFFAOYSA-N 2 0 280.420 -0.513 20 0 CBADRP COc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)ccn1 ZINC001235868918 825515885 /nfs/dbraw/zinc/51/58/85/825515885.db2.gz GWIGBDLBGBXEEO-UHFFFAOYSA-N 2 0 293.415 -0.325 20 0 CBADRP Oc1cccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235870143 825516253 /nfs/dbraw/zinc/51/62/53/825516253.db2.gz ODNPMGJXLGLUEY-UHFFFAOYSA-N 2 0 278.400 -0.023 20 0 CBADRP CCCn1cnc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235871675 825516349 /nfs/dbraw/zinc/51/63/49/825516349.db2.gz XNJOJNJHFWKJPR-UHFFFAOYSA-N 2 0 294.447 -0.123 20 0 CBADRP Fc1cnccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870191 825516571 /nfs/dbraw/zinc/51/65/71/825516571.db2.gz PKURSELMRAFGDL-UHFFFAOYSA-N 2 0 281.379 -0.195 20 0 CBADRP CC[NH+]1CCC(CN2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001235870879 825516712 /nfs/dbraw/zinc/51/67/12/825516712.db2.gz PTVHGRZOMCKJIH-UHFFFAOYSA-N 3 0 297.491 -0.197 20 0 CBADRP c1nscc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871797 825516732 /nfs/dbraw/zinc/51/67/32/825516732.db2.gz YZLJLDWAKIFGEO-UHFFFAOYSA-N 2 0 269.418 -0.273 20 0 CBADRP COc1cnc(CN2CC[NH2+]CCNCC[NH2+]CC2)cn1 ZINC001235870851 825516747 /nfs/dbraw/zinc/51/67/47/825516747.db2.gz MNPMUPXZCONNRB-UHFFFAOYSA-N 2 0 294.403 -0.930 20 0 CBADRP c1cnnc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235870984 825516918 /nfs/dbraw/zinc/51/69/18/825516918.db2.gz NBXKDVSNLBXACB-UHFFFAOYSA-N 2 0 264.377 -0.939 20 0 CBADRP COc1nccc(CN2CC[NH2+]CCNCC[NH2+]CC2)n1 ZINC001235872094 825517016 /nfs/dbraw/zinc/51/70/16/825517016.db2.gz ZRDPKJWMTQIJPA-UHFFFAOYSA-N 2 0 294.403 -0.930 20 0 CBADRP Fc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)nc1 ZINC001235871064 825517136 /nfs/dbraw/zinc/51/71/36/825517136.db2.gz RZQGWVVMBPPSQI-UHFFFAOYSA-N 2 0 281.379 -0.195 20 0 CBADRP [NH3+]CCNC(=O)c1cccc(CN2C[C@@H]3C[C@]3([NH3+])C2)c1 ZINC001236022399 825519897 /nfs/dbraw/zinc/51/98/97/825519897.db2.gz DNVQJZCHCJRYGS-ZFWWWQNUSA-N 2 0 274.368 -0.092 20 0 CBADRP CC[NH2+]CCN1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236020674 825520037 /nfs/dbraw/zinc/52/00/37/825520037.db2.gz HGIHRXNFXFRZDI-COMQUAJESA-N 2 0 281.400 -0.074 20 0 CBADRP C[C@@H]([NH3+])CN1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001236043520 825521634 /nfs/dbraw/zinc/52/16/34/825521634.db2.gz WQQHHPDIPDMQBS-LLVKDONJSA-N 2 0 268.405 -0.005 20 0 CBADRP CCOC(=O)[C@]12CN(C[C@H](C)[NH3+])C[C@H]1C[NH2+]CC2 ZINC001236038530 825521673 /nfs/dbraw/zinc/52/16/73/825521673.db2.gz QLZYZRAVFZAUEU-DMDPSCGWSA-N 2 0 255.362 -0.192 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1CCC1CC[NH2+]CC1 ZINC001236192211 825522359 /nfs/dbraw/zinc/52/23/59/825522359.db2.gz GMBPTZQSZCEOTF-RYUDHWBXSA-N 2 0 255.362 -0.049 20 0 CBADRP C[N@H+](CC[C@H]1COC(C)(C)N1)CCN1CC[NH2+]CC1 ZINC001236083932 825523050 /nfs/dbraw/zinc/52/30/50/825523050.db2.gz WSFKALDFKYQJNH-ZDUSSCGKSA-N 2 0 270.421 -0.062 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1CCC1CC[NH2+]CC1 ZINC001236192208 825523578 /nfs/dbraw/zinc/52/35/78/825523578.db2.gz GMBPTZQSZCEOTF-NEPJUHHUSA-N 2 0 255.362 -0.049 20 0 CBADRP Nc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cn1 ZINC001236312462 825526668 /nfs/dbraw/zinc/52/66/68/825526668.db2.gz TVXSCPBIPVFQPW-UHFFFAOYSA-N 2 0 294.403 -0.720 20 0 CBADRP Nc1cccnc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236307030 825526873 /nfs/dbraw/zinc/52/68/73/825526873.db2.gz BVLHJYGAXUVNMV-UHFFFAOYSA-N 2 0 294.403 -0.720 20 0 CBADRP [NH3+]CCCCCCN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236309941 825526964 /nfs/dbraw/zinc/52/69/64/825526964.db2.gz PVGLMJOVTYLGRE-UHFFFAOYSA-N 3 0 287.452 -0.379 20 0 CBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@@H]1CCC[NH2+]C1 ZINC001236307325 825527367 /nfs/dbraw/zinc/52/73/67/825527367.db2.gz ALZYKZQGBYVPHE-CYBMUJFWSA-N 3 0 285.436 -0.898 20 0 CBADRP COC(=O)[C@H]1CN(C[C@@H]2C[NH2+]C(C)(C)O2)C[C@@H]1[NH3+] ZINC001236341233 825527895 /nfs/dbraw/zinc/52/78/95/825527895.db2.gz KKOFOSGYMXSGBG-GUBZILKMSA-N 2 0 257.334 -0.857 20 0 CBADRP COC(=O)[C@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H]1N ZINC001236343985 825528135 /nfs/dbraw/zinc/52/81/35/825528135.db2.gz QPNMAKOZCOEJCB-NWDGAFQWSA-N 2 0 255.362 -0.192 20 0 CBADRP COC(=O)[C@@H]1CN(Cc2c[nH+]ccc2N)C[C@@H]1[NH3+] ZINC001236345978 825528171 /nfs/dbraw/zinc/52/81/71/825528171.db2.gz RQAKOCQNEKGVBK-KOLCDFICSA-N 2 0 250.302 -0.574 20 0 CBADRP COC(=O)[C@@H]1CN(Cc2ccc3n2CC[NH2+]C3)C[C@@H]1[NH3+] ZINC001236344391 825528509 /nfs/dbraw/zinc/52/85/09/825528509.db2.gz BRXGVPBIWADWMK-OLZOCXBDSA-N 2 0 278.356 -0.477 20 0 CBADRP COC(=O)[C@@H]1CN(C[C@H]([NH3+])Cc2ccccc2)C[C@@H]1[NH3+] ZINC001236345852 825528835 /nfs/dbraw/zinc/52/88/35/825528835.db2.gz VMIMQSBQOQRBPF-MCIONIFRSA-N 2 0 277.368 -0.012 20 0 CBADRP CC(=O)N1CC2(C1)C[N@@H+](CCCC[NH3+])C[C@H]2C(=O)N(C)C ZINC001237180442 825535179 /nfs/dbraw/zinc/53/51/79/825535179.db2.gz PHTCMAZDFWRRCB-ZDUSSCGKSA-N 2 0 296.415 -0.406 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001237652380 825541407 /nfs/dbraw/zinc/54/14/07/825541407.db2.gz LQWGPVUMMAQJIS-UHFFFAOYSA-N 2 0 298.412 -0.208 20 0 CBADRP O=S(=O)(N[C@@H]1CC[NH2+]C[C@@H]1F)C1CC[NH2+]CC1 ZINC001238052752 825545658 /nfs/dbraw/zinc/54/56/58/825545658.db2.gz MNJWVJSSNUFTCD-VHSXEESVSA-N 2 0 265.354 -0.642 20 0 CBADRP [NH3+][C@H]1C[C@H](CNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001238108763 825546850 /nfs/dbraw/zinc/54/68/50/825546850.db2.gz SMTUIEKNOZPNRN-XYPYZODXSA-N 2 0 261.391 -0.357 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1CNS(=O)(=O)[C@H]1CC[NH2+]C1 ZINC001238164197 825547670 /nfs/dbraw/zinc/54/76/70/825547670.db2.gz JGAUXQGOSQPMNO-DCAQKATOSA-N 2 0 261.391 -0.344 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NCCC1C[NH2+]C1 ZINC001238394060 825552915 /nfs/dbraw/zinc/55/29/15/825552915.db2.gz JLCXCUAWBUUHOT-UHFFFAOYSA-N 2 0 261.391 -0.485 20 0 CBADRP O=S(=O)(N[C@H]1C[NH2+]CC12CC2)C1CC[NH2+]CC1 ZINC001238240239 825548987 /nfs/dbraw/zinc/54/89/87/825548987.db2.gz AXJOTXYXNPNUGE-JTQLQIEISA-N 2 0 259.375 -0.590 20 0 CBADRP [NH3+]CCS(=O)(=O)NCCCOC1CC[NH2+]CC1 ZINC001238187329 825549160 /nfs/dbraw/zinc/54/91/60/825549160.db2.gz KPTAZIVARAKFPG-UHFFFAOYSA-N 2 0 265.379 -0.977 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@]1(F)CC[NH2+]C1 ZINC001238242847 825550281 /nfs/dbraw/zinc/55/02/81/825550281.db2.gz OYBXARIODXPEKE-NSHDSACASA-N 2 0 279.381 -0.393 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001238302378 825550699 /nfs/dbraw/zinc/55/06/99/825550699.db2.gz ZRMVQMOEIRRUEE-URLYPYJESA-N 2 0 259.375 -0.877 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001238327295 825551233 /nfs/dbraw/zinc/55/12/33/825551233.db2.gz GCKULNGFYMNJET-MNOVXSKESA-N 2 0 277.390 -0.977 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001238342086 825552459 /nfs/dbraw/zinc/55/24/59/825552459.db2.gz GDNBJIQEBGKZLI-GHMZBOCLSA-N 2 0 277.390 -0.977 20 0 CBADRP O=S(=O)(NC[C@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001238424993 825553556 /nfs/dbraw/zinc/55/35/56/825553556.db2.gz ISJBIRICIAKYAR-JTQLQIEISA-N 2 0 261.391 -0.343 20 0 CBADRP O=S(=O)(NC[C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001238424994 825553607 /nfs/dbraw/zinc/55/36/07/825553607.db2.gz ISJBIRICIAKYAR-SNVBAGLBSA-N 2 0 261.391 -0.343 20 0 CBADRP [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)C2CC[NH2+]CC2)C1 ZINC001238635920 825559020 /nfs/dbraw/zinc/55/90/20/825559020.db2.gz IXLLRYLCEDEJGM-VHSXEESVSA-N 2 0 261.391 -0.072 20 0 CBADRP C[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)C1C[NH2+]C1 ZINC001238683026 825560796 /nfs/dbraw/zinc/56/07/96/825560796.db2.gz XLXHKONRSIGYDG-VIFPVBQESA-N 2 0 261.391 -0.487 20 0 CBADRP C[NH2+]Cc1cccc(CNS(=O)(=O)CC[NH3+])c1 ZINC001238697989 825560807 /nfs/dbraw/zinc/56/08/07/825560807.db2.gz VDIZBBJAGROTGH-UHFFFAOYSA-N 2 0 257.359 -0.216 20 0 CBADRP [NH3+]CCS(=O)(=O)N[C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001238809094 825563878 /nfs/dbraw/zinc/56/38/78/825563878.db2.gz XQUPNKWFPBCSOE-JTQLQIEISA-N 2 0 277.390 -0.882 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1CC12C[NH2+]C2 ZINC001238878397 825567633 /nfs/dbraw/zinc/56/76/33/825567633.db2.gz OGBDJDRECNLXML-SNVBAGLBSA-N 2 0 259.375 -0.733 20 0 CBADRP CC[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)C1C[NH2+]C1 ZINC001238912974 825571038 /nfs/dbraw/zinc/57/10/38/825571038.db2.gz QLPIMIHOLWDXBG-LBPRGKRZSA-N 2 0 275.418 -0.097 20 0 CBADRP O=S(=O)(N[C@@H]1C[NH2+]CC[C@H]1F)C1CC[NH2+]CC1 ZINC001238903597 825571211 /nfs/dbraw/zinc/57/12/11/825571211.db2.gz MUAJWRAHJBXZJE-NXEZZACHSA-N 2 0 265.354 -0.642 20 0 CBADRP C[C@@H]1CCN(S(=O)(=O)[C@H]2CC[NH2+]C2)CC[C@H]1C[NH3+] ZINC001238943656 825575002 /nfs/dbraw/zinc/57/50/02/825575002.db2.gz QNBIPBRGUDSTCA-WOPDTQHZSA-N 2 0 275.418 -0.015 20 0 CBADRP [NH3+][C@@H]1CN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CC(F)(F)C1 ZINC001238962219 825576849 /nfs/dbraw/zinc/57/68/49/825576849.db2.gz FLOSNCXVZJZABI-JGVFFNPUSA-N 2 0 269.317 -0.654 20 0 CBADRP [NH3+][C@@H]1CCN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CC[C@@H]1F ZINC001238962295 825577353 /nfs/dbraw/zinc/57/73/53/825577353.db2.gz GQZAAKKCJLKNQR-KXUCPTDWSA-N 2 0 265.354 -0.561 20 0 CBADRP [NH3+][C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CC(F)(F)C1 ZINC001238962082 825577408 /nfs/dbraw/zinc/57/74/08/825577408.db2.gz QJPJIOZTEUMNLD-JTQLQIEISA-N 2 0 297.371 -0.016 20 0 CBADRP [NH3+][C@H]1CCN(S(=O)(=O)C2CC[NH2+]CC2)CC[C@@H]1F ZINC001238968050 825578369 /nfs/dbraw/zinc/57/83/69/825578369.db2.gz PRXUDTXTOITLMO-QWRGUYRKSA-N 2 0 279.381 -0.171 20 0 CBADRP [NH3+]C[C@@]1(F)CCCCN(S(=O)(=O)[C@H]2CC[NH2+]C2)C1 ZINC001238967035 825578681 /nfs/dbraw/zinc/57/86/81/825578681.db2.gz BZRDUKHEMHZPKJ-QWRGUYRKSA-N 2 0 279.381 -0.169 20 0 CBADRP [NH3+][C@H]1C[C@@H](F)CN(S(=O)(=O)C2CC[NH2+]CC2)C1 ZINC001238973904 825579858 /nfs/dbraw/zinc/57/98/58/825579858.db2.gz JPXJHGRRDQSNJR-BDAKNGLRSA-N 2 0 265.354 -0.561 20 0 CBADRP O=S(=O)([C@@H]1CC[NH2+]C1)N1CCC[C@]12CCC[NH2+]C2 ZINC001239001204 825582173 /nfs/dbraw/zinc/58/21/73/825582173.db2.gz OBKPQBXFCARKNY-NEPJUHHUSA-N 2 0 273.402 -0.104 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCC2(CCC[NH2+]C2)CC1 ZINC001239009294 825582227 /nfs/dbraw/zinc/58/22/27/825582227.db2.gz CVRLGRAZGSTANT-UHFFFAOYSA-N 2 0 261.391 -0.260 20 0 CBADRP [NH3+]CC1(F)CCN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC001239013060 825582438 /nfs/dbraw/zinc/58/24/38/825582438.db2.gz WRPUKVBDUSJLHR-SECBINFHSA-N 2 0 265.354 -0.559 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001239057947 825583886 /nfs/dbraw/zinc/58/38/86/825583886.db2.gz UEPVAMHPYMRNSX-NEPJUHHUSA-N 2 0 273.402 -0.248 20 0 CBADRP [NH3+][C@H]1C[C@@H]2C[C@H]1CN2S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239059971 825583912 /nfs/dbraw/zinc/58/39/12/825583912.db2.gz SJYXINREDNEHKD-SRVKXCTJSA-N 2 0 273.402 -0.263 20 0 CBADRP CC(C)[C@@H]1CN(S(=O)(=O)[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001239075671 825585411 /nfs/dbraw/zinc/58/54/11/825585411.db2.gz JRRUDDQHZQHSPK-QWRGUYRKSA-N 2 0 261.391 -0.392 20 0 CBADRP CC(C)[C@@H]1CN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001239075670 825585662 /nfs/dbraw/zinc/58/56/62/825585662.db2.gz JRRUDDQHZQHSPK-MNOVXSKESA-N 2 0 261.391 -0.392 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001239099218 825587911 /nfs/dbraw/zinc/58/79/11/825587911.db2.gz HVJRDFMHHCMOIS-OLZOCXBDSA-N 2 0 287.429 -0.143 20 0 CBADRP [NH3+][C@]12CC[C@@H]1CN(S(=O)(=O)C1CC[NH2+]CC1)C2 ZINC001239104477 825588046 /nfs/dbraw/zinc/58/80/46/825588046.db2.gz DAMHRVMYKFHPOH-KOLCDFICSA-N 2 0 259.375 -0.509 20 0 CBADRP CN([C@@H]1[C@H]2C[NH2+]C[C@H]21)S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239144373 825594641 /nfs/dbraw/zinc/59/46/41/825594641.db2.gz HHZSNJPPBGCLFQ-GDNZZTSVSA-N 2 0 273.402 -0.535 20 0 CBADRP [NH3+]CCS(=O)(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001239149490 825594939 /nfs/dbraw/zinc/59/49/39/825594939.db2.gz LXSCUACAJIYWHC-ZDUSSCGKSA-N 2 0 298.412 -0.076 20 0 CBADRP O=C([C@@H]1C[C@H](N2CC[NH2+]CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001239338239 825599552 /nfs/dbraw/zinc/59/95/52/825599552.db2.gz OSSGZAWRBISFKG-QWRGUYRKSA-N 2 0 288.342 -0.510 20 0 CBADRP COCCNC(=S)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239363306 825600847 /nfs/dbraw/zinc/60/08/47/825600847.db2.gz MPDHJVYRGUPBMU-LLVKDONJSA-N 2 0 286.445 -0.029 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@H]1NC(=S)NCC[NH+]1CCCCC1 ZINC001239378665 825601341 /nfs/dbraw/zinc/60/13/41/825601341.db2.gz SSMTWLLWFWWARU-NWDGAFQWSA-N 2 0 286.445 -0.483 20 0 CBADRP CC[NH+](CC)CCCNC(=S)N[C@H]1C[NH2+]C[C@H]1CO ZINC001239378100 825601526 /nfs/dbraw/zinc/60/15/26/825601526.db2.gz VWAPUQJGOOLUPN-RYUDHWBXSA-N 2 0 288.461 -0.237 20 0 CBADRP CC[NH+](CC)CCCNC(=S)N[C@@H]1C[NH2+]C[C@H]1CO ZINC001239378099 825601542 /nfs/dbraw/zinc/60/15/42/825601542.db2.gz VWAPUQJGOOLUPN-NWDGAFQWSA-N 2 0 288.461 -0.237 20 0 CBADRP OC[C@H]1C[NH2+]C[C@@H]1NC(=S)NCC[NH+]1CCCCC1 ZINC001239378664 825601974 /nfs/dbraw/zinc/60/19/74/825601974.db2.gz SSMTWLLWFWWARU-NEPJUHHUSA-N 2 0 286.445 -0.483 20 0 CBADRP c1nc2c(c(-c3cnc(N4CC[NH2+]CC4)nc3)n1)C[NH2+]CC2 ZINC001241895158 825609761 /nfs/dbraw/zinc/60/97/61/825609761.db2.gz VFMGKRPLJGSBDK-UHFFFAOYSA-N 2 0 297.366 -0.011 20 0 CBADRP CC[NH+](CC)C[C@H](O)CNC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001245971681 825616004 /nfs/dbraw/zinc/61/60/04/825616004.db2.gz GVMYSZUNFYURLX-FRRDWIJNSA-N 2 0 277.384 -0.659 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+]C[C@H](O)CN1CCOCC1 ZINC001245981498 825616090 /nfs/dbraw/zinc/61/60/90/825616090.db2.gz HNFYVOHLFTVLRU-IHRRRGAJSA-N 2 0 271.405 -0.343 20 0 CBADRP C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)CN2CCOCC2)C[NH2+]1 ZINC001245977504 825616147 /nfs/dbraw/zinc/61/61/47/825616147.db2.gz WQISJPNRWKGRQC-HZSPNIEDSA-N 2 0 271.405 -0.343 20 0 CBADRP C[C@@H]1CC[C@H](C[NH2+]C[C@H](O)CN2CCOCC2)C[NH2+]1 ZINC001245977505 825616867 /nfs/dbraw/zinc/61/68/67/825616867.db2.gz WQISJPNRWKGRQC-MCIONIFRSA-N 2 0 271.405 -0.343 20 0 CBADRP O[C@@H](C[NH2+]C1CN(C2CC[NH2+]CC2)C1)C(F)(F)F ZINC001245991963 825617513 /nfs/dbraw/zinc/61/75/13/825617513.db2.gz WXQGDENSLXAGHT-JTQLQIEISA-N 2 0 267.295 -0.065 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245983190 825618496 /nfs/dbraw/zinc/61/84/96/825618496.db2.gz NKPNVTXAPACIDG-MJBXVCDLSA-N 3 0 285.432 -0.170 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+]C[C@@H](O)CN2CCOCC2)C1 ZINC001245992441 825619060 /nfs/dbraw/zinc/61/90/60/825619060.db2.gz LXLDDAYVHUWAIW-MELADBBJSA-N 2 0 271.405 -0.485 20 0 CBADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@H](O)CN2CCOCC2)C1 ZINC001245996598 825619218 /nfs/dbraw/zinc/61/92/18/825619218.db2.gz RRLMBQMBWPCNIM-XQQFMLRXSA-N 2 0 257.378 -0.461 20 0 CBADRP CCOC(=O)C1=C(NC[C@@H](O)C[NH+](CC)CC)C[NH2+]C1 ZINC001246011326 825620759 /nfs/dbraw/zinc/62/07/59/825620759.db2.gz RCWNQKPAEJSFHJ-LLVKDONJSA-N 2 0 285.388 -0.301 20 0 CBADRP C[C@H]1C[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001246015934 825621290 /nfs/dbraw/zinc/62/12/90/825621290.db2.gz JPMYLTNYGPMRGK-YNEHKIRRSA-N 3 0 271.405 -0.622 20 0 CBADRP CCCCOC[C@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246008630 825621380 /nfs/dbraw/zinc/62/13/80/825621380.db2.gz PIDWEBRUVRXMIV-NEPJUHHUSA-N 2 0 275.393 -0.264 20 0 CBADRP C[C@@H]1CCN(C[C@H](O)CC2(O)CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001246017988 825621921 /nfs/dbraw/zinc/62/19/21/825621921.db2.gz CADZLCWGBQKODS-UPJWGTAASA-N 2 0 271.405 -0.479 20 0 CBADRP CCCOC[C@H](O)C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246019684 825622054 /nfs/dbraw/zinc/62/20/54/825622054.db2.gz JISKHPKVTOYENB-CHWSQXEVSA-N 2 0 260.378 -0.050 20 0 CBADRP CCCOC[C@@H](O)C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246019689 825622400 /nfs/dbraw/zinc/62/24/00/825622400.db2.gz JISKHPKVTOYENB-STQMWFEESA-N 2 0 260.378 -0.050 20 0 CBADRP C[C@@H]1CC[N@H+](C[C@@H](O)CN2CCOCC2)CC[C@@H]1C[NH3+] ZINC001246020285 825623081 /nfs/dbraw/zinc/62/30/81/825623081.db2.gz KJLCRJAMGYCHMK-RBSFLKMASA-N 2 0 285.432 -0.014 20 0 CBADRP [NH3+]C[C@H]1C[N@H+](C[C@@H](O)COCc2ccccc2)C[C@@H]1O ZINC001246021427 825624476 /nfs/dbraw/zinc/62/44/76/825624476.db2.gz MFUKMBBWRASWEL-ZNMIVQPWSA-N 2 0 280.368 -0.185 20 0 CBADRP CC(C)(C)OC(=O)[C@H](O)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246023825 825624530 /nfs/dbraw/zinc/62/45/30/825624530.db2.gz BNFOTSHBMQLMQZ-GFCCVEGCSA-N 2 0 299.415 -0.284 20 0 CBADRP [NH3+]C[C@H]1C[N@H+](C[C@H](O)COCc2ccco2)C[C@@H]1O ZINC001246024566 825624695 /nfs/dbraw/zinc/62/46/95/825624695.db2.gz UWSAZGKUUQPSKV-GVXVVHGQSA-N 2 0 270.329 -0.592 20 0 CBADRP [NH3+]CCCC[C@H]([NH2+]C[C@H](O)CO)C(=O)N1CCCC1 ZINC001246021646 825624678 /nfs/dbraw/zinc/62/46/78/825624678.db2.gz UITJWDAUNVGNCA-RYUDHWBXSA-N 2 0 273.377 -0.951 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CN1CCCC[C@@](O)(C[NH3+])C1 ZINC001246024884 825624802 /nfs/dbraw/zinc/62/48/02/825624802.db2.gz RLFQXWSTWKHUIU-ZIAGYGMSSA-N 2 0 273.421 -0.135 20 0 CBADRP CCCOC[C@H](O)C[N@@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001246027868 825625894 /nfs/dbraw/zinc/62/58/94/825625894.db2.gz YPHNIOSPBPOEIH-IUODEOHRSA-N 2 0 297.399 -0.815 20 0 CBADRP O[C@@]1(CN2CC[NH2+]C[C@@]3(CCCCN3)C2)CCC[NH2+]C1 ZINC001246026736 825626673 /nfs/dbraw/zinc/62/66/73/825626673.db2.gz ITMKHFLUOSVELV-GJZGRUSLSA-N 2 0 282.432 -0.482 20 0 CBADRP [NH3+]C[C@@H]1CCCC[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246032095 825628203 /nfs/dbraw/zinc/62/82/03/825628203.db2.gz JAGXBSJJFLEVTD-UONOGXRCSA-N 2 0 285.432 -0.087 20 0 CBADRP CCOC(=O)[C@]12C[N@H+](C[C@H](C)O)C[C@H]1C[NH2+]CC2 ZINC001246048313 825629561 /nfs/dbraw/zinc/62/95/61/825629561.db2.gz WRHWCVMQRJHYSL-DMDPSCGWSA-N 2 0 256.346 -0.158 20 0 CBADRP CN(C[C@@H](O)CC1(O)CC[NH2+]CC1)C[C@@H]1CCC[NH2+]1 ZINC001246054341 825630395 /nfs/dbraw/zinc/63/03/95/825630395.db2.gz XUNVSTAQOODRSM-STQMWFEESA-N 2 0 271.405 -0.464 20 0 CBADRP C[NH+](C)CCN(C[C@@]1(O)CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001246057785 825630457 /nfs/dbraw/zinc/63/04/57/825630457.db2.gz HHMAXZHZHNAAPN-LSDHHAIUSA-N 3 0 284.448 -0.284 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN1C[C@@H](C(=O)OC)[C@H]([NH3+])C1 ZINC001246052844 825630469 /nfs/dbraw/zinc/63/04/69/825630469.db2.gz PEJKFMDRVDRWFI-QJPTWQEYSA-N 2 0 273.377 -0.879 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001246053431 825630479 /nfs/dbraw/zinc/63/04/79/825630479.db2.gz OMHWDVIHMMBZNQ-LXTVHRRPSA-N 2 0 261.369 -0.179 20 0 CBADRP C(C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)CN1CCOCC1 ZINC001246067710 825632517 /nfs/dbraw/zinc/63/25/17/825632517.db2.gz WBLQKRRVJGGHNA-ZDUSSCGKSA-N 2 0 268.405 -0.608 20 0 CBADRP O[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]C[C@@H]1F ZINC001246080146 825633746 /nfs/dbraw/zinc/63/37/46/825633746.db2.gz GGJSYDKSLDXWGY-GJHMDTBVSA-N 3 0 257.353 -0.079 20 0 CBADRP CCN1CC[C@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)CC1=O ZINC001246085477 825633796 /nfs/dbraw/zinc/63/37/96/825633796.db2.gz WZJMYPAWRSNCOV-GMXVVIOVSA-N 2 0 273.352 -0.351 20 0 CBADRP c1cnc(N2CC[C@@H]([NH2+][C@H]3CCNC4(C[NH2+]C4)C3)C2)nc1 ZINC001246083488 825633846 /nfs/dbraw/zinc/63/38/46/825633846.db2.gz ZOWUXWQZBYCGSX-QWHCGFSZSA-N 2 0 288.399 -0.261 20 0 CBADRP O[C@H](C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1ccco1 ZINC001246084365 825634000 /nfs/dbraw/zinc/63/40/00/825634000.db2.gz YQSDRGURFQGKRP-WDEREUQCSA-N 2 0 251.330 -0.003 20 0 CBADRP CCOC(=O)N1CC[C@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001246078568 825634060 /nfs/dbraw/zinc/63/40/60/825634060.db2.gz BKZVGWRFYQHIEG-GMXVVIOVSA-N 2 0 289.351 -0.131 20 0 CBADRP FC1(F)CN[C@H](C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246093425 825634454 /nfs/dbraw/zinc/63/44/54/825634454.db2.gz OCUASNAXRKVZDZ-UWVGGRQHSA-N 2 0 260.332 -0.333 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CN1 ZINC001246094523 825635252 /nfs/dbraw/zinc/63/52/52/825635252.db2.gz NBCKNYBSHRMWTO-WOPDTQHZSA-N 2 0 255.362 -0.131 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCN2CC[NH+](C)CC2)CN1 ZINC001246089019 825635409 /nfs/dbraw/zinc/63/54/09/825635409.db2.gz OGHMEYGDLXFUJI-STQMWFEESA-N 2 0 284.404 -0.883 20 0 CBADRP C(C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)COC1CC[NH2+]CC1 ZINC001246114564 825636702 /nfs/dbraw/zinc/63/67/02/825636702.db2.gz NQIDIRIOPJNYFM-ZDUSSCGKSA-N 3 0 282.432 -0.171 20 0 CBADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246101057 825636733 /nfs/dbraw/zinc/63/67/33/825636733.db2.gz WSBARCUNRDAODG-AWEZNQCLSA-N 3 0 281.448 -0.693 20 0 CBADRP O[C@]1(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCCC[NH2+]C1 ZINC001246114958 825636839 /nfs/dbraw/zinc/63/68/39/825636839.db2.gz XFRWOZIKLMFYNE-TZMCWYRMSA-N 3 0 268.405 -0.825 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)O2)CN1 ZINC001246129405 825637367 /nfs/dbraw/zinc/63/73/67/825637367.db2.gz CRNGSJQDEIRVII-UTUOFQBUSA-N 2 0 283.372 -0.609 20 0 CBADRP Cc1nc(CC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)no1 ZINC001246120618 825637436 /nfs/dbraw/zinc/63/74/36/825637436.db2.gz NWQVSTOOSNYICN-SNVBAGLBSA-N 2 0 251.334 -0.396 20 0 CBADRP O=C1NCCCC[C@@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246121353 825637992 /nfs/dbraw/zinc/63/79/92/825637992.db2.gz XMLDJPZMZIHDDU-QWRGUYRKSA-N 2 0 252.362 -0.661 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2COC3(C[NH2+]C3)C2)CN1 ZINC001246136014 825638521 /nfs/dbraw/zinc/63/85/21/825638521.db2.gz QXDUGHAFSZNAFR-SRVKXCTJSA-N 2 0 283.372 -0.752 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1COC2(C[NH2+]C2)C1 ZINC001246137766 825638663 /nfs/dbraw/zinc/63/86/63/825638663.db2.gz XBZGGIROSMMBMZ-NEPJUHHUSA-N 3 0 266.389 -0.952 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)CN1 ZINC001246131584 825638672 /nfs/dbraw/zinc/63/86/72/825638672.db2.gz AEFGNDQEDRJRHL-GARJFASQSA-N 2 0 253.346 -0.378 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CN1 ZINC001246135395 825638958 /nfs/dbraw/zinc/63/89/58/825638958.db2.gz SCEAQMCCBBXDEX-FHUSYTEZSA-N 2 0 283.372 -0.754 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001246132527 825639008 /nfs/dbraw/zinc/63/90/08/825639008.db2.gz LYBFMRKUZQJJDX-NDBYEHHHSA-N 3 0 266.389 -0.953 20 0 CBADRP C1[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C12CC[NH2+]CC2 ZINC001246137923 825639460 /nfs/dbraw/zinc/63/94/60/825639460.db2.gz KJPZMUBELFIOLS-NWDGAFQWSA-N 3 0 250.390 -0.188 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(N[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)N1 ZINC001246143298 825639829 /nfs/dbraw/zinc/63/98/29/825639829.db2.gz HTARJGTUELLFFA-FBUUZDRASA-N 2 0 250.346 -0.563 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC001246142738 825639961 /nfs/dbraw/zinc/63/99/61/825639961.db2.gz HVDWDYIRBSXMOW-RFGFWPKPSA-N 3 0 264.417 -0.084 20 0 CBADRP C([NH2+]C1CC[NH2+]CC1)[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001246141048 825640105 /nfs/dbraw/zinc/64/01/05/825640105.db2.gz CGMBBHJJVOLHQO-GXTWGEPZSA-N 3 0 269.389 -0.277 20 0 CBADRP O=C1C[C@H](NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CN1 ZINC001246138246 825640127 /nfs/dbraw/zinc/64/01/27/825640127.db2.gz BAIANKWSDMAFBO-QWRGUYRKSA-N 2 0 252.362 -0.661 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)N1 ZINC001246143297 825640135 /nfs/dbraw/zinc/64/01/35/825640135.db2.gz HTARJGTUELLFFA-FAEZXWHESA-N 2 0 250.346 -0.563 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@@H]1COCCC13C[NH2+]C3)CCN2 ZINC001246138445 825640378 /nfs/dbraw/zinc/64/03/78/825640378.db2.gz MLVMEAUSOYLFFR-NWDGAFQWSA-N 3 0 266.389 -0.952 20 0 CBADRP C1[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C12CC[NH2+]CC2 ZINC001246137925 825640411 /nfs/dbraw/zinc/64/04/11/825640411.db2.gz KJPZMUBELFIOLS-VXGBXAGGSA-N 3 0 250.390 -0.188 20 0 CBADRP COC(=O)[C@H](CCCC[NH3+])N[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246149148 825640969 /nfs/dbraw/zinc/64/09/69/825640969.db2.gz ABZRXWBQTJQDMI-NEPJUHHUSA-N 2 0 285.388 -0.232 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)CN1 ZINC001246149318 825641075 /nfs/dbraw/zinc/64/10/75/825641075.db2.gz SHWADMFJNCZPPI-UHXUPSOCSA-N 2 0 283.372 -0.609 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@@H]1CCO[C@]3(CC[NH2+]C3)C1)CCN2 ZINC001246146234 825641146 /nfs/dbraw/zinc/64/11/46/825641146.db2.gz FSFSCYPMMCVXSL-UMVBOHGHSA-N 3 0 280.416 -0.419 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)CN1 ZINC001246147290 825641497 /nfs/dbraw/zinc/64/14/97/825641497.db2.gz XJEIGEBYXKPDQQ-MOLYVOAJSA-N 2 0 267.373 -0.132 20 0 CBADRP COC(=O)[C@H]1C[C@@H](NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CN1 ZINC001246145306 825641634 /nfs/dbraw/zinc/64/16/34/825641634.db2.gz MEDWIQIJWSWXFW-JHJVBQTASA-N 2 0 296.415 -0.646 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(N[C@H]2CSC3(C[NH2+]C3)C2)N1 ZINC001246152796 825642528 /nfs/dbraw/zinc/64/25/28/825642528.db2.gz QCLSLNHJJYHSPX-PTRXPTGYSA-N 2 0 268.386 -0.998 20 0 CBADRP CC[C@@H]1C[C@H](N[C@@]23CC[NH2+][C@H]2CC(=O)N3)CC[NH2+]1 ZINC001246152048 825642642 /nfs/dbraw/zinc/64/26/42/825642642.db2.gz OBCGASFGNYRRQY-HNCHTBHHSA-N 2 0 252.362 -0.315 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CC[C@@H]2[NH2+]CCO[C@H]12 ZINC001246150052 825642725 /nfs/dbraw/zinc/64/27/25/825642725.db2.gz LXTUAKLASYDTEP-XDQVBPFNSA-N 3 0 280.416 -0.563 20 0 CBADRP OCC[NH+](CCO)CCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246159769 825643225 /nfs/dbraw/zinc/64/32/25/825643225.db2.gz CIKAQKIKRPHWJC-PBWFPOADSA-N 2 0 271.405 -0.464 20 0 CBADRP CC[NH+]1CCC(N[C@]23CC[NH2+][C@H]2CC(=O)N3)CC1 ZINC001246155479 825643512 /nfs/dbraw/zinc/64/35/12/825643512.db2.gz YSSSNQKZHMEZTP-AAEUAGOBSA-N 2 0 252.362 -0.362 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001246156716 825643665 /nfs/dbraw/zinc/64/36/65/825643665.db2.gz NPGJGUFEZPZJNO-DZKIICNBSA-N 3 0 294.443 -0.171 20 0 CBADRP CC1(C)C[C@H](N[C@]23CC[NH2+][C@@H]2CC(=O)N3)CC[NH2+]1 ZINC001246155021 825643734 /nfs/dbraw/zinc/64/37/34/825643734.db2.gz WLBBIRDHHNDSKJ-BREBYQMCSA-N 2 0 252.362 -0.315 20 0 CBADRP C[C@@H]1C[C@H](NCCC[NH+](CCO)CCO)CC[NH2+]1 ZINC001246163145 825644238 /nfs/dbraw/zinc/64/42/38/825644238.db2.gz WJBWGWNZIYWCTP-CHWSQXEVSA-N 2 0 259.394 -0.607 20 0 CBADRP C[C@H]1C[C@H](NCCC[NH+](CCO)CCO)CC[NH2+]1 ZINC001246163147 825644287 /nfs/dbraw/zinc/64/42/87/825644287.db2.gz WJBWGWNZIYWCTP-QWHCGFSZSA-N 2 0 259.394 -0.607 20 0 CBADRP O=C(C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)N1CCCC1 ZINC001246180468 825645431 /nfs/dbraw/zinc/64/54/31/825645431.db2.gz JZRFQODZCSFTCR-LLVKDONJSA-N 2 0 252.362 -0.708 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](C)C2)CN1 ZINC001246178448 825646043 /nfs/dbraw/zinc/64/60/43/825646043.db2.gz XFTLPNIUBCLAMB-WOPDTQHZSA-N 2 0 255.362 -0.179 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C)C2)CN1 ZINC001246178441 825646188 /nfs/dbraw/zinc/64/61/88/825646188.db2.gz XFTLPNIUBCLAMB-TUAOUCFPSA-N 2 0 255.362 -0.179 20 0 CBADRP O=C(C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)N1CCCCC1 ZINC001246183256 825646770 /nfs/dbraw/zinc/64/67/70/825646770.db2.gz WJTDNOOTPXAALI-GFCCVEGCSA-N 2 0 266.389 -0.318 20 0 CBADRP O=C(CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)N1CCCC1 ZINC001246182076 825647116 /nfs/dbraw/zinc/64/71/16/825647116.db2.gz PQSMKCKGZOUPMY-GFCCVEGCSA-N 2 0 266.389 -0.318 20 0 CBADRP O=C([C@@H]1C[C@H](NC[C@H]2CCC[NH2+]2)C[NH2+]1)N1CCSC1 ZINC001246185554 825647177 /nfs/dbraw/zinc/64/71/77/825647177.db2.gz BSNSHARZVOUPEW-WOPDTQHZSA-N 2 0 284.429 -0.409 20 0 CBADRP CC(C)[C@@](C)([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246183034 825647385 /nfs/dbraw/zinc/64/73/85/825647385.db2.gz DWOFXZZKIVOMEY-ZYHUDNBSSA-N 2 0 254.378 -0.430 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CC23CC[NH2+]CC3)CN1 ZINC001246189992 825648027 /nfs/dbraw/zinc/64/80/27/825648027.db2.gz ZJSJYWFQCKEMSL-WOPDTQHZSA-N 2 0 267.373 -0.131 20 0 CBADRP NC(=O)C1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCCCC1 ZINC001246188542 825648127 /nfs/dbraw/zinc/64/81/27/825648127.db2.gz KPVVFLNUSFICKD-LLVKDONJSA-N 2 0 266.389 -0.142 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC001246197802 825649903 /nfs/dbraw/zinc/64/99/03/825649903.db2.gz AXKAQRUWPKWJGU-UTUOFQBUSA-N 2 0 255.362 -0.131 20 0 CBADRP CCCN(CC[NH3+])[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246207563 825650678 /nfs/dbraw/zinc/65/06/78/825650678.db2.gz AYSRLCKUZMMHTI-NEPJUHHUSA-N 2 0 286.445 -0.080 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@]2(C)CC[NH2+]C2)CN1 ZINC001246216456 825651838 /nfs/dbraw/zinc/65/18/38/825651838.db2.gz JZACFHBEXFEQOA-NTZNESFSSA-N 2 0 255.362 -0.131 20 0 CBADRP CC[C@@]1(C(=O)OC)C[C@@H](N[C@H]2C[NH2+]CC[C@H]2F)CN1 ZINC001246218447 825652344 /nfs/dbraw/zinc/65/23/44/825652344.db2.gz SYOLDLIJMIOLOS-DCQANWLSSA-N 2 0 273.352 -0.040 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+]C1CN(C3CC[NH2+]CC3)C1)CCO2 ZINC001246215815 825652396 /nfs/dbraw/zinc/65/23/96/825652396.db2.gz QMLAGHJTRMYSDV-LBPRGKRZSA-N 3 0 280.416 -0.467 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[NH2+]C[C@H]2F)CN1 ZINC001246221225 825652793 /nfs/dbraw/zinc/65/27/93/825652793.db2.gz JPDSPQFTCPTUFQ-KXNHARMFSA-N 2 0 273.352 -0.183 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246220451 825653043 /nfs/dbraw/zinc/65/30/43/825653043.db2.gz JTHZFZXMBNTHAD-WTPMCQDGSA-N 2 0 253.346 -0.523 20 0 CBADRP CCOC(=O)CC1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)COC1 ZINC001246227311 825653049 /nfs/dbraw/zinc/65/30/49/825653049.db2.gz JSLUQXFWAQYZFE-NSHDSACASA-N 2 0 283.372 -0.608 20 0 CBADRP Cn1ccc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)cc1=O ZINC001246227676 825653195 /nfs/dbraw/zinc/65/31/95/825653195.db2.gz HMYKEKHAGNBBNA-GFCCVEGCSA-N 2 0 262.357 -0.431 20 0 CBADRP COC(=O)[C@H]1C[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246222729 825653285 /nfs/dbraw/zinc/65/32/85/825653285.db2.gz OBWPINYCARJAFQ-DCAQKATOSA-N 2 0 253.346 -0.378 20 0 CBADRP Cn1ccc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)cc1=O ZINC001246227687 825653403 /nfs/dbraw/zinc/65/34/03/825653403.db2.gz HMYKEKHAGNBBNA-LBPRGKRZSA-N 2 0 262.357 -0.431 20 0 CBADRP CN1C[C@@H](C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246236917 825653874 /nfs/dbraw/zinc/65/38/74/825653874.db2.gz ZPNUWRCLKBNXDE-MNOVXSKESA-N 2 0 252.362 -0.852 20 0 CBADRP CN1C(=O)CC[C@H]1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246229614 825654140 /nfs/dbraw/zinc/65/41/40/825654140.db2.gz KSZQTKSJHWIIIO-MNOVXSKESA-N 2 0 252.362 -0.709 20 0 CBADRP O=S1(=O)CC[C@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246236298 825654189 /nfs/dbraw/zinc/65/41/89/825654189.db2.gz VKGJAWMTRPIPNS-GHMZBOCLSA-N 2 0 273.402 -0.895 20 0 CBADRP O[C@@H](C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC001246230673 825654552 /nfs/dbraw/zinc/65/45/52/825654552.db2.gz RCTSOESPBGXICS-STQMWFEESA-N 3 0 268.405 -0.970 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)CN1 ZINC001246230930 825654620 /nfs/dbraw/zinc/65/46/20/825654620.db2.gz BBUHXSFCUMMTGY-KGLIPLIRSA-N 2 0 299.415 -0.426 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCN2CCC[N@H+](C)CC2)CN1 ZINC001246238073 825655480 /nfs/dbraw/zinc/65/54/80/825655480.db2.gz CZTCDVUPRJXYEO-KGLIPLIRSA-N 2 0 298.431 -0.493 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001246246446 825655713 /nfs/dbraw/zinc/65/57/13/825655713.db2.gz HZQPXKWFANLVPG-UONOGXRCSA-N 3 0 294.443 -0.171 20 0 CBADRP OC1CCN(CC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246241183 825655718 /nfs/dbraw/zinc/65/57/18/825655718.db2.gz YAIOCBPMGDMNFX-LBPRGKRZSA-N 2 0 268.405 -0.873 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@@H]1CCOC3(CC[NH2+]CC3)C1)CCN2 ZINC001246258674 825656592 /nfs/dbraw/zinc/65/65/92/825656592.db2.gz XZUQGGPPIXJSHA-ZIAGYGMSSA-N 3 0 294.443 -0.029 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@@H]1CO[C@]3(C1)CCC[NH2+]C3)CCN2 ZINC001246259126 825656772 /nfs/dbraw/zinc/65/67/72/825656772.db2.gz ZHIQTONVASNDJE-IPYPFGDCSA-N 3 0 280.416 -0.419 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CCC(=O)N2CCN(C)CC2)CC[NH2+]1 ZINC001246254451 825656892 /nfs/dbraw/zinc/65/68/92/825656892.db2.gz HNBRPWHRODUEHD-QWHCGFSZSA-N 2 0 268.405 -0.119 20 0 CBADRP O[C@H](C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1ccccn1 ZINC001246264650 825657732 /nfs/dbraw/zinc/65/77/32/825657732.db2.gz CLZIMPSWLFWNJD-WCQYABFASA-N 2 0 262.357 -0.201 20 0 CBADRP CN(CCC[NH3+])CCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246285337 825659134 /nfs/dbraw/zinc/65/91/34/825659134.db2.gz RZPHLTDPGHRVFW-ZDUSSCGKSA-N 3 0 269.437 -0.659 20 0 CBADRP O=C(C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1cccnc1 ZINC001246282415 825659414 /nfs/dbraw/zinc/65/94/14/825659414.db2.gz SILSFTTXOHCJHK-LBPRGKRZSA-N 2 0 260.341 -0.052 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CNCCO1 ZINC001246295574 825660665 /nfs/dbraw/zinc/66/06/65/825660665.db2.gz PCXSNJCKPFSNLD-TUAOUCFPSA-N 2 0 254.378 -0.953 20 0 CBADRP c1cnc(N2CC([NH2+][C@H]3CCNC4(C[NH2+]C4)C3)C2)cn1 ZINC001246292645 825660955 /nfs/dbraw/zinc/66/09/55/825660955.db2.gz RYAPOEYDCDBAFM-NSHDSACASA-N 2 0 274.372 -0.651 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246298788 825661939 /nfs/dbraw/zinc/66/19/39/825661939.db2.gz FTMJRMXGDWRHLQ-NNYUYHANSA-N 2 0 255.362 -0.132 20 0 CBADRP OC[C@H]1C[NH2+]C[C@@H]1NC1CCC([NH+]2CCOCC2)CC1 ZINC001246299478 825662131 /nfs/dbraw/zinc/66/21/31/825662131.db2.gz KZHXPJOXKTUWRC-URGYJCLVSA-N 2 0 283.416 -0.200 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246300584 825662473 /nfs/dbraw/zinc/66/24/73/825662473.db2.gz SBGWDVZHZSQQOR-DDHJBXDOSA-N 2 0 255.362 -0.132 20 0 CBADRP O[C@@H]1CCCN(CC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246312913 825662911 /nfs/dbraw/zinc/66/29/11/825662911.db2.gz CTSCHOCLJTXNLA-CHWSQXEVSA-N 2 0 268.405 -0.873 20 0 CBADRP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246325166 825664694 /nfs/dbraw/zinc/66/46/94/825664694.db2.gz IZYSMMZOTWLPJC-LLVKDONJSA-N 2 0 268.405 -0.025 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CSCCN1 ZINC001246335256 825665503 /nfs/dbraw/zinc/66/55/03/825665503.db2.gz HFZCEKAVKFAGDE-QWRGUYRKSA-N 2 0 256.419 -0.625 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@@H]1CCO[C@]13CC[NH2+]C3)CCN2 ZINC001246335394 825665964 /nfs/dbraw/zinc/66/59/64/825665964.db2.gz WTYZQMHBOQWNSQ-SCRDCRAPSA-N 3 0 266.389 -0.809 20 0 CBADRP CO[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246346167 825667391 /nfs/dbraw/zinc/66/73/91/825667391.db2.gz FERHLAFLPDNKKI-SDDRHHMPSA-N 3 0 254.378 -0.953 20 0 CBADRP C[C@@H]1C[C@@H](NCCN(CC[NH3+])N(O)N=O)CC[NH2+]1 ZINC001246353151 825668277 /nfs/dbraw/zinc/66/82/77/825668277.db2.gz UQYLVZUCCCJBEN-ZJUUUORDSA-N 2 0 260.342 -0.735 20 0 CBADRP C(CO[C@@H]1CC[NH2+]C1)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246364418 825669023 /nfs/dbraw/zinc/66/90/23/825669023.db2.gz BGNMSXGJYGRROB-NWDGAFQWSA-N 3 0 254.378 -0.952 20 0 CBADRP c1ccc(N2CC([NH2+][C@H]3CCNC4(C[NH2+]C4)C3)C2)nc1 ZINC001246366885 825669339 /nfs/dbraw/zinc/66/93/39/825669339.db2.gz KJEQADPRYOIUIS-LBPRGKRZSA-N 2 0 273.384 -0.046 20 0 CBADRP COC(=O)N1CCC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246361207 825669425 /nfs/dbraw/zinc/66/94/25/825669425.db2.gz XABAKBMADZDPGT-LBPRGKRZSA-N 2 0 282.388 -0.099 20 0 CBADRP COCCC1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246395059 825670471 /nfs/dbraw/zinc/67/04/71/825670471.db2.gz VIUNCJLDSBDLEL-ZDUSSCGKSA-N 3 0 282.432 -0.171 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])N[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246401501 825670775 /nfs/dbraw/zinc/67/07/75/825670775.db2.gz LYKRIEVJTJXEBH-QWRGUYRKSA-N 2 0 271.361 -0.623 20 0 CBADRP CC(=O)N1CC[C@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246409289 825671595 /nfs/dbraw/zinc/67/15/95/825671595.db2.gz XXPRYTGVQUNHLK-CHWSQXEVSA-N 2 0 266.389 -0.462 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCS(=O)(=O)CC1 ZINC001246414497 825671825 /nfs/dbraw/zinc/67/18/25/825671825.db2.gz IGJWHWBADPULMH-JTQLQIEISA-N 2 0 277.390 -0.864 20 0 CBADRP COCCC1([NH3+])CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246424704 825672889 /nfs/dbraw/zinc/67/28/89/825672889.db2.gz SEMBSYNLZXAIDH-ZDUSSCGKSA-N 3 0 282.432 -0.090 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246415725 825672970 /nfs/dbraw/zinc/67/29/70/825672970.db2.gz KCBJZLVWAYSFEV-MBYGNEARSA-N 3 0 254.378 -0.158 20 0 CBADRP [NH3+]CCCC[NH2+]CCC[NH2+][C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246458163 825675258 /nfs/dbraw/zinc/67/52/58/825675258.db2.gz TXCDGKSVDJCNSN-CYBMUJFWSA-N 4 0 270.421 -0.184 20 0 CBADRP [NH3+]CCCC[NH2+]CCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246456169 825675294 /nfs/dbraw/zinc/67/52/94/825675294.db2.gz IHRLDEUVMFTMNA-CYBMUJFWSA-N 4 0 269.437 -0.611 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246479093 825676171 /nfs/dbraw/zinc/67/61/71/825676171.db2.gz SANDIVGJOOYQHI-SJHCENCUSA-N 2 0 265.357 -0.356 20 0 CBADRP F[C@H]1C[NH2+]CC[C@H]1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246477974 825676563 /nfs/dbraw/zinc/67/65/63/825676563.db2.gz RSPQDHSCLKPVBF-TUAOUCFPSA-N 3 0 256.369 -0.382 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CN1 ZINC001246478201 825676638 /nfs/dbraw/zinc/67/66/38/825676638.db2.gz UTLDJQDHLMSJQM-VLEAKVRGSA-N 2 0 259.325 -0.573 20 0 CBADRP CC1(C)C(=O)NC[C@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246494550 825677217 /nfs/dbraw/zinc/67/72/17/825677217.db2.gz HKRNAAOHVPDJLE-VHSXEESVSA-N 2 0 252.362 -0.805 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCC[N@H+](C)CCO)CN1 ZINC001246488800 825677841 /nfs/dbraw/zinc/67/78/41/825677841.db2.gz JKLYMKJBPSSSQY-RYUDHWBXSA-N 2 0 273.377 -0.816 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])N[C@@H]1CCCC[NH2+]C1 ZINC001246513973 825678214 /nfs/dbraw/zinc/67/82/14/825678214.db2.gz XMLHFKSNKPNBCK-NEPJUHHUSA-N 2 0 256.394 -0.038 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246510776 825679130 /nfs/dbraw/zinc/67/91/30/825679130.db2.gz HRYRSMSHXSKWJT-NEPJUHHUSA-N 3 0 268.405 -0.038 20 0 CBADRP [NH2+]=C(N[C@@H]1CCNC2(C[NH2+]C2)C1)n1nnc2ccccc21 ZINC001246522341 825680349 /nfs/dbraw/zinc/68/03/49/825680349.db2.gz CHAKGDKYMPNSEP-SNVBAGLBSA-N 2 0 285.355 -0.102 20 0 CBADRP CC(=O)NC1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246522248 825680472 /nfs/dbraw/zinc/68/04/72/825680472.db2.gz AQWVJBPRPKNYIU-CYBMUJFWSA-N 2 0 266.389 -0.319 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH+]1CCC(N3CCOCC3)CC1)CCN2 ZINC001246527119 825681156 /nfs/dbraw/zinc/68/11/56/825681156.db2.gz LINSNEZCPBIQCL-OAHLLOKOSA-N 2 0 294.443 -0.123 20 0 CBADRP O=C([C@@H]1C[C@H](N2CCC[NH2+]CC2)C[NH2+]1)N1CCSC1 ZINC001246526586 825681691 /nfs/dbraw/zinc/68/16/91/825681691.db2.gz ZNFKODUIDRGWDE-RYUDHWBXSA-N 2 0 284.429 -0.455 20 0 CBADRP C1CC1N1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246536053 825681986 /nfs/dbraw/zinc/68/19/86/825681986.db2.gz SEDOMMSBTNKSOB-CYBMUJFWSA-N 2 0 250.390 -0.140 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)CN1 ZINC001246544746 825682382 /nfs/dbraw/zinc/68/23/82/825682382.db2.gz SLVZVVUNDJHASJ-YDHLFZDLSA-N 2 0 299.415 -0.154 20 0 CBADRP [NH3+]C[C@]1(O)CCC[N@@H+]([C@H]2CCOC3(C[NH2+]C3)C2)CC1 ZINC001246541313 825682523 /nfs/dbraw/zinc/68/25/23/825682523.db2.gz FTBUVZRAOZVZSQ-STQMWFEESA-N 3 0 269.389 -0.317 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH+]1CCN([C@H]3CCOC3)CC1)CCN2 ZINC001246537959 825682718 /nfs/dbraw/zinc/68/27/18/825682718.db2.gz LRUDXLLPZLEHSC-KBPBESRZSA-N 2 0 280.416 -0.513 20 0 CBADRP COC(=O)[C@H]1C[C@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)CN1 ZINC001246542339 825682811 /nfs/dbraw/zinc/68/28/11/825682811.db2.gz JWRDBNPKSSBNMP-LOWVWBTDSA-N 2 0 271.361 -0.934 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)CN1 ZINC001246546989 825682936 /nfs/dbraw/zinc/68/29/36/825682936.db2.gz BPSKRAGGZBKEGZ-SGMGOOAPSA-N 2 0 285.388 -0.544 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)CN1 ZINC001246542341 825683171 /nfs/dbraw/zinc/68/31/71/825683171.db2.gz JWRDBNPKSSBNMP-MDZLAQPJSA-N 2 0 271.361 -0.934 20 0 CBADRP [NH3+]C[C@]1(O)CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246546270 825683213 /nfs/dbraw/zinc/68/32/13/825683213.db2.gz ZDSXCCXXGCTMQT-OCCSQVGLSA-N 3 0 268.405 -0.744 20 0 CBADRP [NH3+]C[C@]1(O)CCC[N@@H+](C2C[C@@H]3COC[C@H](C2)N3)CC1 ZINC001246544665 825683448 /nfs/dbraw/zinc/68/34/48/825683448.db2.gz RRGPLPVGSDTVQI-PIGZVRMJSA-N 2 0 269.389 -0.319 20 0 CBADRP OC[C@@H]1C[C@H](F)C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246553475 825684370 /nfs/dbraw/zinc/68/43/70/825684370.db2.gz YFTYRRPJQOGTNS-WOPDTQHZSA-N 2 0 257.353 -0.267 20 0 CBADRP C[C@@H]1[C@H]([NH3+])CCN1[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246548373 825685041 /nfs/dbraw/zinc/68/50/41/825685041.db2.gz IABHQVQXNXAQKC-KXNHARMFSA-N 2 0 284.429 -0.329 20 0 CBADRP CS(=O)(=O)N(C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001246550980 825685092 /nfs/dbraw/zinc/68/50/92/825685092.db2.gz RSMQQCJGYLGORB-LLVKDONJSA-N 2 0 261.391 -0.248 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)CN1 ZINC001246558544 825685473 /nfs/dbraw/zinc/68/54/73/825685473.db2.gz MDGHYMBWSCEIKO-DYEKYZERSA-N 2 0 285.388 -0.544 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)CN1 ZINC001246558545 825686152 /nfs/dbraw/zinc/68/61/52/825686152.db2.gz MDGHYMBWSCEIKO-MBNYWOFBSA-N 2 0 285.388 -0.544 20 0 CBADRP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)CCN1 ZINC001246565682 825686267 /nfs/dbraw/zinc/68/62/67/825686267.db2.gz ZJHJYWNUPPWYJK-KCQAQPDRSA-N 2 0 299.415 -0.154 20 0 CBADRP [NH3+]C[C@@]1(O)CCCC[N@@H+]([C@@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246560012 825686499 /nfs/dbraw/zinc/68/64/99/825686499.db2.gz ORUIRXLNCKNOFQ-OLZOCXBDSA-N 3 0 269.389 -0.317 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCN[C@H](C(F)(F)F)C2)C[C@H]1O ZINC001246578638 825689192 /nfs/dbraw/zinc/68/91/92/825689192.db2.gz GWDRFIFFBDSFBG-JLIMGVALSA-N 2 0 267.295 -0.079 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCN3C(=O)CC[C@@H]3C2)C[C@H]1O ZINC001246579331 825689384 /nfs/dbraw/zinc/68/93/84/825689384.db2.gz ILHKFOFJUJUYTE-NNYUYHANSA-N 2 0 253.346 -0.609 20 0 CBADRP COC(=O)[C@H]1CCC[C@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246579612 825689761 /nfs/dbraw/zinc/68/97/61/825689761.db2.gz FXGPQPKVVPCEOM-BJDJZHNGSA-N 2 0 256.346 -0.030 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCC[C@H](n3ncnn3)C2)C[C@H]1O ZINC001246580768 825690803 /nfs/dbraw/zinc/69/08/03/825690803.db2.gz OVOADNQPNRZOBA-FIQHERPVSA-N 2 0 266.349 -0.592 20 0 CBADRP C[NH+](C)C[C@H]1CN([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246584508 825691329 /nfs/dbraw/zinc/69/13/29/825691329.db2.gz AUYFVXQMEHXXAY-OLZOCXBDSA-N 2 0 268.405 -0.657 20 0 CBADRP N[C@@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1F ZINC001246583643 825691533 /nfs/dbraw/zinc/69/15/33/825691533.db2.gz IAQUDPJZUUMNNR-SDDRHHMPSA-N 2 0 256.369 -0.158 20 0 CBADRP COC(=O)[C@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246595520 825692302 /nfs/dbraw/zinc/69/23/02/825692302.db2.gz SYRKRZMYIJFTQL-QWRGUYRKSA-N 2 0 253.346 -0.425 20 0 CBADRP COC[C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246595735 825692696 /nfs/dbraw/zinc/69/26/96/825692696.db2.gz VJYVDJOXVGIZAZ-VXGBXAGGSA-N 2 0 254.378 -0.999 20 0 CBADRP C[C@]1(O)COCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246593967 825692799 /nfs/dbraw/zinc/69/27/99/825692799.db2.gz UNJCVEZBIPTYTO-VXGBXAGGSA-N 2 0 255.362 -0.836 20 0 CBADRP COC(=O)[C@@H]1CC[C@H](N2CCOC3(CC[NH2+]CC3)C2)CN1 ZINC001246603767 825693720 /nfs/dbraw/zinc/69/37/20/825693720.db2.gz MEYMNQRIZUAABC-STQMWFEESA-N 2 0 297.399 -0.266 20 0 CBADRP C[C@@H]1C[C@@H](N2CCOC[C@]3(C[NH2+]CCO3)C2)CC[NH2+]1 ZINC001246598510 825694337 /nfs/dbraw/zinc/69/43/37/825694337.db2.gz AUMFCLWQHOAAMR-RDBSUJKOSA-N 2 0 269.389 -0.182 20 0 CBADRP CC1(C[NH3+])CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C1 ZINC001246601275 825694341 /nfs/dbraw/zinc/69/43/41/825694341.db2.gz UOMSTPATFBDLHL-MNOVXSKESA-N 2 0 284.429 -0.470 20 0 CBADRP O=C1C[C@@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)CCN1 ZINC001246600076 825694398 /nfs/dbraw/zinc/69/43/98/825694398.db2.gz FIPNJOIGSATZFH-NSHDSACASA-N 2 0 252.362 -0.708 20 0 CBADRP C1C[N@@H+](C2C[C@@H]3COC[C@H](C2)N3)CC2(CC[NH2+]CC2)N1 ZINC001246607710 825695184 /nfs/dbraw/zinc/69/51/84/825695184.db2.gz WXAHUUAQQGXGAU-PBWFPOADSA-N 2 0 280.416 -0.467 20 0 CBADRP O=S1CC2(C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246617806 825695325 /nfs/dbraw/zinc/69/53/25/825695325.db2.gz ZLVDBFKQOGVYGE-SNVBAGLBSA-N 2 0 255.387 -0.855 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCOCC3(CC[NH2+]CC3)C1)CCN2 ZINC001246614767 825695380 /nfs/dbraw/zinc/69/53/80/825695380.db2.gz QBHKFZZBUCGOFE-AWEZNQCLSA-N 3 0 294.443 -0.218 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CC[C@]3(CCC[NH2+]3)C1)CCN2 ZINC001246611878 825695602 /nfs/dbraw/zinc/69/56/02/825695602.db2.gz DSHAEYMIZRHPKB-QWHCGFSZSA-N 2 0 250.390 -0.092 20 0 CBADRP C[C@@H]1CC[C@H](N2CC(=O)NC[C@]23CC[NH2+]C3)C[NH2+]1 ZINC001246614321 825695616 /nfs/dbraw/zinc/69/56/16/825695616.db2.gz ATKBULAABBLKFR-NTZNESFSSA-N 2 0 252.362 -0.709 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@H]3C[NH2+]CC[C@H]32)CN1 ZINC001246625004 825696399 /nfs/dbraw/zinc/69/63/99/825696399.db2.gz QORGSYKEEDTQKR-FIQHERPVSA-N 2 0 253.346 -0.426 20 0 CBADRP C1C[NH2+]C[C@@H](N2CCO[C@@]3(C2)C[NH2+]CCOC3)C1 ZINC001246623624 825696804 /nfs/dbraw/zinc/69/68/04/825696804.db2.gz BCCXKLZXNBNQME-QWHCGFSZSA-N 2 0 255.362 -0.571 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CN1 ZINC001246630336 825698146 /nfs/dbraw/zinc/69/81/46/825698146.db2.gz IZWSUPYHUJWNAT-FVCCEPFGSA-N 2 0 283.372 -0.800 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@]3(CC[NH2+]C3)C1)CCN2 ZINC001246629689 825698510 /nfs/dbraw/zinc/69/85/10/825698510.db2.gz HHPOZHQIEWBHLZ-OLZOCXBDSA-N 3 0 250.390 -0.234 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CN1 ZINC001246636656 825699502 /nfs/dbraw/zinc/69/95/02/825699502.db2.gz VWKDEUFWULBDIX-YIYPIFLZSA-N 2 0 297.399 -0.410 20 0 CBADRP c1nnn([C@@H]2CCC[C@@H]([N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)C2)n1 ZINC001246633338 825699646 /nfs/dbraw/zinc/69/96/46/825699646.db2.gz CIHLDIPHMMBSLS-MGPQQGTHSA-N 2 0 291.403 -0.206 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCN[C@]3(CC[NH2+]C3)C1)CCO2 ZINC001246640726 825700668 /nfs/dbraw/zinc/70/06/68/825700668.db2.gz GVFCALYIRYPYMW-OLZOCXBDSA-N 3 0 266.389 -0.855 20 0 CBADRP C1C[C@]2(C[NH2+]1)C[N@@H+]([C@@H]1C[C@H]3C[NH2+]C[C@H]3C1)CCN2 ZINC001246641204 825700743 /nfs/dbraw/zinc/70/07/43/825700743.db2.gz HWQCZUWBNUXQAC-DGAVXFQQSA-N 3 0 250.390 -0.378 20 0 CBADRP C1C[C@]2(C[NH2+]1)C[N@@H+]([C@H]1C[C@H]3C[NH2+]C[C@H]3C1)CCN2 ZINC001246641202 825700816 /nfs/dbraw/zinc/70/08/16/825700816.db2.gz HWQCZUWBNUXQAC-CRWXNKLISA-N 3 0 250.390 -0.378 20 0 CBADRP C1[NH2+]CC12CC[C@@H]([N@@H+]1CCN[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246641470 825700899 /nfs/dbraw/zinc/70/08/99/825700899.db2.gz IIWRWDBWRBYZEY-TZMCWYRMSA-N 3 0 250.390 -0.234 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CCC[C@@]13CC[NH2+]C3)CCN2 ZINC001246651693 825702737 /nfs/dbraw/zinc/70/27/37/825702737.db2.gz YJVJGIMBZYJZLT-JSGCOSHPSA-N 3 0 250.390 -0.092 20 0 CBADRP C1CC2(CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)[NH2+]1 ZINC001246650345 825702867 /nfs/dbraw/zinc/70/28/67/825702867.db2.gz TZIWXQJTRPZPLX-GFCCVEGCSA-N 2 0 250.390 -0.092 20 0 CBADRP O=C1CC[C@@H]2C[C@H]([N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)CCN12 ZINC001246645328 825702914 /nfs/dbraw/zinc/70/29/14/825702914.db2.gz UHNWDHSDBWJNIH-UMVBOHGHSA-N 2 0 278.400 -0.223 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1[C@@H]3CC[C@H]1C[NH2+]CC3)CCN2 ZINC001246675304 825704848 /nfs/dbraw/zinc/70/48/48/825704848.db2.gz FMIPBQKRBAVXPA-UPJWGTAASA-N 3 0 250.390 -0.093 20 0 CBADRP C1CC(N2CCCO[C@]3(C[NH2+]CCOC3)C2)CC[NH2+]1 ZINC001246667573 825705045 /nfs/dbraw/zinc/70/50/45/825705045.db2.gz LFBWDOXXTVPADY-CQSZACIVSA-N 2 0 269.389 -0.181 20 0 CBADRP O=C(C1CCN([C@H]2CCC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC001246679207 825706902 /nfs/dbraw/zinc/70/69/02/825706902.db2.gz ZCSHAIYCYISVEI-AWEZNQCLSA-N 2 0 280.416 -0.118 20 0 CBADRP CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246749659 825708619 /nfs/dbraw/zinc/70/86/19/825708619.db2.gz RSUWYHYLIWNMLL-YNEHKIRRSA-N 2 0 278.400 -0.225 20 0 CBADRP C1[NH2+]CC12CCC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246789697 825710970 /nfs/dbraw/zinc/71/09/70/825710970.db2.gz FEBSXAVRJWNWJB-LBPRGKRZSA-N 3 0 250.390 -0.234 20 0 CBADRP CS(=O)(=O)[C@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246796576 825711648 /nfs/dbraw/zinc/71/16/48/825711648.db2.gz MJIPSLYHAXDDTB-MNOVXSKESA-N 2 0 273.402 -0.801 20 0 CBADRP CC(=O)N(C)C1C[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246797261 825712047 /nfs/dbraw/zinc/71/20/47/825712047.db2.gz NPNZAKROXFCRKV-LLVKDONJSA-N 2 0 252.362 -0.757 20 0 CBADRP CC[C@H]1CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]1 ZINC001246803845 825713480 /nfs/dbraw/zinc/71/34/80/825713480.db2.gz NETKCLBZBUQMNB-AVGNSLFASA-N 2 0 298.456 -0.066 20 0 CBADRP COC(=O)C[C@@H]1C[NH2+]CCN1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246812924 825714528 /nfs/dbraw/zinc/71/45/28/825714528.db2.gz FQRYNUYVMOOSHH-IJLUTSLNSA-N 2 0 255.362 -0.036 20 0 CBADRP COC(=O)C[C@@H]1C[NH2+]CCN1[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246814513 825714794 /nfs/dbraw/zinc/71/47/94/825714794.db2.gz PUQAHYSPBNPIJB-IJLUTSLNSA-N 2 0 255.362 -0.036 20 0 CBADRP COC(=O)C[C@@H]1C[NH2+]CCN1[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246814491 825715117 /nfs/dbraw/zinc/71/51/17/825715117.db2.gz PUQAHYSPBNPIJB-GRYCIOLGSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H]1CC(N2CC[NH2+]CCNCC[NH2+]CC2)C[C@@H](C)[NH2+]1 ZINC001246818939 825716246 /nfs/dbraw/zinc/71/62/46/825716246.db2.gz FBCFKPSFYJILMF-ZIAGYGMSSA-N 3 0 283.464 -0.400 20 0 CBADRP CC[C@H]1C[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)CC[NH2+]1 ZINC001246818876 825716424 /nfs/dbraw/zinc/71/64/24/825716424.db2.gz FACIXXFTDWQLCI-LSDHHAIUSA-N 3 0 283.464 -0.399 20 0 CBADRP O=C1OC[C@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CCN12 ZINC001246819927 825716710 /nfs/dbraw/zinc/71/67/10/825716710.db2.gz LGLPSVQIBWFSBL-GHMZBOCLSA-N 2 0 266.345 -0.783 20 0 CBADRP CC[N@@H+]1CC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246822682 825717033 /nfs/dbraw/zinc/71/70/33/825717033.db2.gz SHUBEASNTMGHOW-CQSZACIVSA-N 3 0 269.437 -0.835 20 0 CBADRP C1COCC[C@H]([NH+]2CCNCC[NH2+]CCNCC2)C1 ZINC001246824520 825717407 /nfs/dbraw/zinc/71/74/07/825717407.db2.gz YPYWEAAVPRRMIX-CQSZACIVSA-N 2 0 270.421 -0.360 20 0 CBADRP C1CC1[NH+]1CCC(N2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001246824426 825717863 /nfs/dbraw/zinc/71/78/63/825717863.db2.gz XHZAHXRJSOAPIA-UHFFFAOYSA-N 3 0 295.475 -0.302 20 0 CBADRP C1COCC[C@@H]([NH+]2CCNCC[NH2+]CCNCC2)C1 ZINC001246824519 825717970 /nfs/dbraw/zinc/71/79/70/825717970.db2.gz YPYWEAAVPRRMIX-AWEZNQCLSA-N 2 0 270.421 -0.360 20 0 CBADRP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246843144 825720462 /nfs/dbraw/zinc/72/04/62/825720462.db2.gz UEYMPXPTYGHBOR-FRRDWIJNSA-N 3 0 250.390 -0.426 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1C[C@H]3CC[NH2+]C[C@H]3C1)CCN2 ZINC001246842149 825720584 /nfs/dbraw/zinc/72/05/84/825720584.db2.gz BIMBHONEKXFSSB-FRRDWIJNSA-N 3 0 250.390 -0.378 20 0 CBADRP CCN1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246849422 825721075 /nfs/dbraw/zinc/72/10/75/825721075.db2.gz QWFWHYNPLVAFTE-NSHDSACASA-N 2 0 252.362 -0.756 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CCN1 ZINC001246858333 825722078 /nfs/dbraw/zinc/72/20/78/825722078.db2.gz FFGJXCLRZCUIPB-DQJFZVCTSA-N 2 0 283.372 -0.815 20 0 CBADRP O=C1NCC[C@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]12 ZINC001246854982 825722951 /nfs/dbraw/zinc/72/29/51/825722951.db2.gz RRLKGARJKHXQIY-QJPTWQEYSA-N 2 0 264.373 -0.852 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246856487 825723036 /nfs/dbraw/zinc/72/30/36/825723036.db2.gz BJRJZFOMOSDWMY-NHCYSSNCSA-N 2 0 255.362 -0.038 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1C1CCC2(CC1)C[NH2+]CCO2 ZINC001246857578 825723086 /nfs/dbraw/zinc/72/30/86/825723086.db2.gz QCZYYLRCSXHQDZ-OWYJLGKBSA-N 2 0 297.399 -0.266 20 0 CBADRP FC(F)CN1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246863621 825723742 /nfs/dbraw/zinc/72/37/42/825723742.db2.gz MVOQXEQGKWFBGB-LLVKDONJSA-N 2 0 274.359 -0.037 20 0 CBADRP c1cc(N2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)ncn1 ZINC001246865263 825723782 /nfs/dbraw/zinc/72/37/82/825723782.db2.gz SPSJIFSZRRHUQQ-CYBMUJFWSA-N 2 0 288.399 -0.307 20 0 CBADRP COC(=O)[C@H](N)C1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246865237 825724600 /nfs/dbraw/zinc/72/46/00/825724600.db2.gz SHZXTOJJSFIXDF-CHWSQXEVSA-N 2 0 296.415 -0.707 20 0 CBADRP CC(=O)N1CCC([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CC1 ZINC001246861898 825724735 /nfs/dbraw/zinc/72/47/35/825724735.db2.gz RBQBIMBWQSSBNN-ONXXMXGDSA-N 2 0 267.373 -0.097 20 0 CBADRP c1ncc(N2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)cn1 ZINC001246868250 825725144 /nfs/dbraw/zinc/72/51/44/825725144.db2.gz KZKYFJJKYCMARA-CYBMUJFWSA-N 2 0 288.399 -0.307 20 0 CBADRP COC(=O)C[C@H]1COCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246869132 825725957 /nfs/dbraw/zinc/72/59/57/825725957.db2.gz FDEHCLLWFZGQFN-NEPJUHHUSA-N 2 0 283.372 -0.656 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@H+]1C[C@H]3CCC[C@@H](C1)N3)CCN2 ZINC001246883040 825727455 /nfs/dbraw/zinc/72/74/55/825727455.db2.gz SXPKFFIAMQMNKM-FRRDWIJNSA-N 2 0 250.390 -0.093 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]1)[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246887718 825728015 /nfs/dbraw/zinc/72/80/15/825728015.db2.gz BBZSBPATIHVONL-AVGNSLFASA-N 2 0 298.456 -0.066 20 0 CBADRP CCN(CC[NH2+]C)[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246890760 825728956 /nfs/dbraw/zinc/72/89/56/825728956.db2.gz LPZINMMQALLXEY-NEPJUHHUSA-N 2 0 286.445 -0.209 20 0 CBADRP CN1CC2(C1)CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246899173 825728995 /nfs/dbraw/zinc/72/89/95/825728995.db2.gz QBIJBGFDXDDZLR-GFCCVEGCSA-N 2 0 250.390 -0.282 20 0 CBADRP C1C(N2CC[NH2+]CC2)CN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246892291 825729106 /nfs/dbraw/zinc/72/91/06/825729106.db2.gz FYEIFSVZCBFPEH-FUNVUKJBSA-N 2 0 250.390 -0.141 20 0 CBADRP CC[C@]1(C(=O)OC)C[C@H](N2C[C@H]([NH3+])C[C@H]2C(=O)OC)CN1 ZINC001246909482 825729650 /nfs/dbraw/zinc/72/96/50/825729650.db2.gz XMAAMHCJAHWISN-YAMSLAJTSA-N 2 0 299.371 -0.755 20 0 CBADRP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2C[C@H]3C[NH2+]C[C@H]32)CN1 ZINC001246914311 825730414 /nfs/dbraw/zinc/73/04/14/825730414.db2.gz BZQPSFSKLRLYEB-NOOOWODRSA-N 2 0 267.373 -0.038 20 0 CBADRP CC[C@]1(C(=O)OC)C[C@H](N2C[C@@H]([NH3+])C[C@H]2C(=O)OC)CN1 ZINC001246909479 825730422 /nfs/dbraw/zinc/73/04/22/825730422.db2.gz XMAAMHCJAHWISN-AYGWYOGXSA-N 2 0 299.371 -0.755 20 0 CBADRP C[C@@H]1CC[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C[NH2+]1 ZINC001246922113 825731667 /nfs/dbraw/zinc/73/16/67/825731667.db2.gz VBQYDYJFHYNERM-OLZOCXBDSA-N 3 0 285.436 -0.757 20 0 CBADRP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246920353 825732055 /nfs/dbraw/zinc/73/20/55/825732055.db2.gz MXFQMPZZCUDPPJ-BTTYYORXSA-N 4 0 297.447 -0.900 20 0 CBADRP O=C1NCC2(CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)N1 ZINC001246920850 825732074 /nfs/dbraw/zinc/73/20/74/825732074.db2.gz SUPGVTJZNJODRH-LLVKDONJSA-N 2 0 279.388 -0.772 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CN1 ZINC001246929856 825732862 /nfs/dbraw/zinc/73/28/62/825732862.db2.gz HLGJXIFZKAZSMQ-XQHKEYJVSA-N 2 0 267.373 -0.179 20 0 CBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246926835 825733020 /nfs/dbraw/zinc/73/30/20/825733020.db2.gz VXMUQJXKXVNGJZ-PBWFPOADSA-N 3 0 297.447 -0.615 20 0 CBADRP CC[C@@H]1C[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CC[NH2+]1 ZINC001246926265 825733043 /nfs/dbraw/zinc/73/30/43/825733043.db2.gz SBGQRUIJXANGLP-KGLIPLIRSA-N 3 0 299.463 -0.367 20 0 CBADRP C[NH2+]C1CCC([N@@H+]2C[C@H](N)[C@@H](C(=O)OC)C2)CC1 ZINC001246935885 825733903 /nfs/dbraw/zinc/73/39/03/825733903.db2.gz ZHMQFUIRSRPODF-QQFIATSDSA-N 2 0 255.362 -0.051 20 0 CBADRP COC(=O)C[C@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246965413 825736840 /nfs/dbraw/zinc/73/68/40/825736840.db2.gz HUVXRXISEUKXQB-VXGBXAGGSA-N 2 0 267.373 -0.035 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CN1 ZINC001246972386 825736988 /nfs/dbraw/zinc/73/69/88/825736988.db2.gz DQBYMEHLUWVCRZ-VLJOUNFMSA-N 2 0 267.373 -0.051 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CN1 ZINC001246978199 825737335 /nfs/dbraw/zinc/73/73/35/825737335.db2.gz VCQNZQYKMCBJDI-HTFCKZLJSA-N 2 0 253.346 -0.441 20 0 CBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C1CC[NH2+]CC1)CC2 ZINC001246987732 825739010 /nfs/dbraw/zinc/73/90/10/825739010.db2.gz MUKXIISZRSCEKN-GXTWGEPZSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246981106 825739100 /nfs/dbraw/zinc/73/91/00/825739100.db2.gz UTNHMDPVHHXQBL-HZSPNIEDSA-N 3 0 264.417 -0.036 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C1CC[NH2+]CC1)CC2 ZINC001246987735 825739333 /nfs/dbraw/zinc/73/93/33/825739333.db2.gz MUKXIISZRSCEKN-OCCSQVGLSA-N 2 0 267.373 -0.035 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](N(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)CN1 ZINC001246985864 825739562 /nfs/dbraw/zinc/73/95/62/825739562.db2.gz LEODHSUPEVRXJT-MCIONIFRSA-N 2 0 298.431 -0.495 20 0 CBADRP COC(=O)CO[C@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246999735 825740773 /nfs/dbraw/zinc/74/07/73/825740773.db2.gz TUJBOAUFDBKPDT-NEPJUHHUSA-N 2 0 283.372 -0.656 20 0 CBADRP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC12CC2 ZINC001246991863 825740937 /nfs/dbraw/zinc/74/09/37/825740937.db2.gz DAHIXLXDCGOTCD-NEPJUHHUSA-N 2 0 279.384 -0.035 20 0 CBADRP N[C@H](C[NH3+])c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001249127260 825748245 /nfs/dbraw/zinc/74/82/45/825748245.db2.gz IUIDJMPWQGSEEF-MRVPVSSYSA-N 2 0 260.301 -0.264 20 0 CBADRP OCC[NH+](CCO)CCCNC[C@H](O)C(F)(F)F ZINC001250987059 825755618 /nfs/dbraw/zinc/75/56/18/825755618.db2.gz FJMNZMKBIUXLQZ-VIFPVBQESA-N 2 0 274.283 -0.824 20 0 CBADRP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC001251035069 825767237 /nfs/dbraw/zinc/76/72/37/825767237.db2.gz DRZFBPUWOXFNPL-ZIAGYGMSSA-N 2 0 271.405 -0.247 20 0 CBADRP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC001251035068 825767241 /nfs/dbraw/zinc/76/72/41/825767241.db2.gz DRZFBPUWOXFNPL-UONOGXRCSA-N 2 0 271.405 -0.247 20 0 CBADRP CCOC[C@@H](O)C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001252029455 825813207 /nfs/dbraw/zinc/81/32/07/825813207.db2.gz QOWOMKAIBZJNKH-ZDUSSCGKSA-N 2 0 259.394 -0.437 20 0 CBADRP OC[C@@H](O)C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001252073140 825829010 /nfs/dbraw/zinc/82/90/10/825829010.db2.gz SXZTYKULKKLOOL-AWEZNQCLSA-N 2 0 272.389 -0.180 20 0 CBADRP COC(=O)[C@H](O)CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001252420768 825849509 /nfs/dbraw/zinc/84/95/09/825849509.db2.gz RUMVYCYLYLXRFR-CYBMUJFWSA-N 2 0 289.420 -0.274 20 0 CBADRP COC(=O)[C@H](O)C[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001252437199 825858543 /nfs/dbraw/zinc/85/85/43/825858543.db2.gz PHVQBJDELGCRBF-LLVKDONJSA-N 2 0 273.377 -0.864 20 0 CBADRP COC(=O)[C@H](O)C[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001252442816 825860805 /nfs/dbraw/zinc/86/08/05/825860805.db2.gz JPVSJUZAAWTYSV-JHJVBQTASA-N 2 0 286.372 -0.247 20 0 CBADRP COC(=O)[C@H](O)C[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001252447438 825864545 /nfs/dbraw/zinc/86/45/45/825864545.db2.gz ABHDQRHKDVNUNX-GFCCVEGCSA-N 2 0 272.345 -0.779 20 0 CBADRP CC(C)OC[C@H](O)C[NH2+]CCN1CC[NH+](C)CC1 ZINC001252689055 825883884 /nfs/dbraw/zinc/88/38/84/825883884.db2.gz NGEFQWKDYHPNNL-CYBMUJFWSA-N 2 0 259.394 -0.391 20 0 CBADRP COC[C@@H](O)CN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001252819155 825890427 /nfs/dbraw/zinc/89/04/27/825890427.db2.gz BOHAGIXEYSSIBO-HNNXBMFYSA-N 2 0 285.432 -0.047 20 0 CBADRP COC[C@@H](O)C[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001252826035 825891394 /nfs/dbraw/zinc/89/13/94/825891394.db2.gz IHDJQTXSMXYGMX-LBPRGKRZSA-N 2 0 259.394 -0.391 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CN1CC[NH+](CCCO)CC1 ZINC001253182877 825902514 /nfs/dbraw/zinc/90/25/14/825902514.db2.gz UMQPUMWDOVTGNA-CQSZACIVSA-N 2 0 273.421 -0.311 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN1CC[NH+](CCCO)CC1 ZINC001253182876 825902547 /nfs/dbraw/zinc/90/25/47/825902547.db2.gz UMQPUMWDOVTGNA-AWEZNQCLSA-N 2 0 273.421 -0.311 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001253182774 825903028 /nfs/dbraw/zinc/90/30/28/825903028.db2.gz TUZRQLSPHKXOCE-JSGCOSHPSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+]CCCc1c[nH][nH]c1=O ZINC001253202921 825903864 /nfs/dbraw/zinc/90/38/64/825903864.db2.gz CDWULLHGTJGJKJ-VXGBXAGGSA-N 2 0 270.377 -0.209 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CN1CCOC[C@H]1C[NH+](C)C ZINC001253193663 825904009 /nfs/dbraw/zinc/90/40/09/825904009.db2.gz HCJBAAPEBXREAO-ZIAGYGMSSA-N 2 0 273.421 -0.049 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@@H]1CCC(=O)N1C ZINC001253209126 825905149 /nfs/dbraw/zinc/90/51/49/825905149.db2.gz XXSGFEQWKFMJQT-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CNCC[N@@H+]1CCC[C@@H](O)C1 ZINC001253209679 825905637 /nfs/dbraw/zinc/90/56/37/825905637.db2.gz GYMVVTFFSLJUET-KGLIPLIRSA-N 2 0 273.421 -0.265 20 0 CBADRP CN1C[C@@H]2C[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C[C@@H]2C1=O ZINC001253389746 825910275 /nfs/dbraw/zinc/91/02/75/825910275.db2.gz CQFJFGHCRIQIDF-UTUOFQBUSA-N 2 0 269.389 -0.245 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C[C@@H]1CCNC(=O)C1 ZINC001253384951 825910578 /nfs/dbraw/zinc/91/05/78/825910578.db2.gz NNUUGGAUSVOMLM-MNOVXSKESA-N 2 0 257.378 -0.149 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@]2(CCNC2=O)C1 ZINC001253390494 825912355 /nfs/dbraw/zinc/91/23/55/825912355.db2.gz VBBRTARZUHHZEK-BXUZGUMPSA-N 2 0 269.389 -0.053 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H](CO)[C@@H]1CCOC1 ZINC001253409607 825915080 /nfs/dbraw/zinc/91/50/80/825915080.db2.gz XAJHMXVZFZBFBA-WOPDTQHZSA-N 2 0 260.378 -0.278 20 0 CBADRP C[N@@H+]1CCC[C@@H](n2cnc(C[C@H]([NH3+])C(N)=O)c2)CC1 ZINC001254513647 825965418 /nfs/dbraw/zinc/96/54/18/825965418.db2.gz FHDONBOGYFJRCM-NEPJUHHUSA-N 2 0 265.361 -0.105 20 0 CBADRP COC(=O)[C@@H](C[NH3+])CN[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254841483 825969609 /nfs/dbraw/zinc/96/96/09/825969609.db2.gz XHPXZTZMSIWSRJ-NWDGAFQWSA-N 2 0 255.362 -0.192 20 0 CBADRP C[NH+](C)CCN1CCN([C@@H]2CC[N@H+](C)C2)CCC1=O ZINC001255439363 825982557 /nfs/dbraw/zinc/98/25/57/825982557.db2.gz SZJSYLYPSJXLOS-CYBMUJFWSA-N 2 0 268.405 -0.214 20 0 CBADRP C[N@@H+]1CCC[C@@H](NCCC[NH+](CCO)CCO)C1 ZINC001255468420 825983807 /nfs/dbraw/zinc/98/38/07/825983807.db2.gz TZBMOGNAPGGHKF-CYBMUJFWSA-N 2 0 259.394 -0.653 20 0 CBADRP [NH3+]C[C@@H](O)C[NH2+]C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255971079 825995797 /nfs/dbraw/zinc/99/57/97/825995797.db2.gz LHHZDQMWNKZFJC-MRVPVSSYSA-N 2 0 269.267 -0.551 20 0 CBADRP CCOC(=O)N1CC[C@H]([NH2+]CCN(C)CC[NH3+])C1 ZINC001256021128 825999390 /nfs/dbraw/zinc/99/93/90/825999390.db2.gz GUBYDRNDFUQPFZ-NSHDSACASA-N 2 0 258.366 -0.303 20 0 CBADRP COC(=O)[C@@H](C[NH3+])CNC1CC[NH+](C2CC2)CC1 ZINC001256067925 826000010 /nfs/dbraw/zinc/00/00/10/826000010.db2.gz OIUHZTCHMSSXGM-JTQLQIEISA-N 2 0 255.362 -0.049 20 0 CBADRP O=C1C[C@H](C[NH2+]C2CCC([NH+]3CCOCC3)CC2)C(=O)N1 ZINC001256684223 826029827 /nfs/dbraw/zinc/02/98/27/826029827.db2.gz OPQXGXDSXFCTSW-PNESKVBLSA-N 2 0 295.383 -0.118 20 0 CBADRP CC(CO)(CO)[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256676479 826029899 /nfs/dbraw/zinc/02/98/99/826029899.db2.gz DEPJTGANMXTHCC-UHFFFAOYSA-N 2 0 272.389 -0.037 20 0 CBADRP NC(=O)[C@@H](CO)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256850588 826035028 /nfs/dbraw/zinc/03/50/28/826035028.db2.gz DXQZVBZACHTTOQ-GFCCVEGCSA-N 2 0 264.329 -0.514 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC001261379812 826508909 /nfs/dbraw/zinc/50/89/09/826508909.db2.gz NBPKZLZCZGWUOO-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001261378542 826509393 /nfs/dbraw/zinc/50/93/93/826509393.db2.gz DBFDRDSMRAEUTJ-MXWKQRLJSA-N 2 0 270.377 -0.561 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCn2ccnc2)CC1 ZINC001261436281 826512907 /nfs/dbraw/zinc/51/29/07/826512907.db2.gz WUANDXWIBQDWSM-AWEZNQCLSA-N 2 0 281.404 -0.529 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC001261460961 826518219 /nfs/dbraw/zinc/51/82/19/826518219.db2.gz UFFVVMCHTARMGY-MRVPVSSYSA-N 2 0 251.334 -0.217 20 0 CBADRP CC[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)[C@@H](C)O ZINC001261482740 826521358 /nfs/dbraw/zinc/52/13/58/826521358.db2.gz XSKIYXBXKGYFCD-UPJWGTAASA-N 2 0 259.394 -0.656 20 0 CBADRP CC[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)[C@H](C)O ZINC001261482741 826521372 /nfs/dbraw/zinc/52/13/72/826521372.db2.gz XSKIYXBXKGYFCD-XQQFMLRXSA-N 2 0 259.394 -0.656 20 0 CBADRP CCCN(CC(=O)N1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001261492615 826524002 /nfs/dbraw/zinc/52/40/02/826524002.db2.gz MWXVBMQEXBMXOV-UHFFFAOYSA-N 2 0 268.405 -0.118 20 0 CBADRP O=C(CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CC[NH2+]CC1 ZINC001261492782 826524888 /nfs/dbraw/zinc/52/48/88/826524888.db2.gz UTWXRQQKAGKSKU-NEPJUHHUSA-N 2 0 252.362 -0.898 20 0 CBADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC001261515326 826530874 /nfs/dbraw/zinc/53/08/74/826530874.db2.gz DDBVKFYPDKVIPC-LBPRGKRZSA-N 2 0 255.362 -0.441 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC001261527344 826533593 /nfs/dbraw/zinc/53/35/93/826533593.db2.gz OKEUSZKJSAQNGK-CYBMUJFWSA-N 2 0 285.436 -0.981 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC[NH3+])CC1 ZINC001261631716 826548519 /nfs/dbraw/zinc/54/85/19/826548519.db2.gz COSHCBUVCUSIHV-UHFFFAOYSA-N 2 0 285.392 -0.765 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001261636454 826551646 /nfs/dbraw/zinc/55/16/46/826551646.db2.gz KTMMNFOEPVEUEU-QWRGUYRKSA-N 2 0 270.377 -0.879 20 0 CBADRP O=C(C[N@H+]1CCCC[C@H]1CCO)N1CC[NH2+]CC1 ZINC001261642951 826552678 /nfs/dbraw/zinc/55/26/78/826552678.db2.gz ZZBCUTADGCUEGR-LBPRGKRZSA-N 2 0 255.362 -0.345 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H](C)C[NH2+]C)CC1 ZINC001261643871 826553778 /nfs/dbraw/zinc/55/37/78/826553778.db2.gz IQCFCTDDEUEDRI-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N(C)CCC[NH3+])CC[N@@H+]1C ZINC001261644568 826553806 /nfs/dbraw/zinc/55/38/06/826553806.db2.gz FCLVYYNREQIFBG-RYUDHWBXSA-N 2 0 284.404 -0.265 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001261643573 826553883 /nfs/dbraw/zinc/55/38/83/826553883.db2.gz XVVGVBXBDKJRJE-VIFPVBQESA-N 2 0 266.349 -0.330 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)CC2([NH3+])CCC2)n1 ZINC001261643713 826554388 /nfs/dbraw/zinc/55/43/88/826554388.db2.gz CJPVZPCALVEBQI-UHFFFAOYSA-N 2 0 265.317 -0.471 20 0 CBADRP O=C([C@H]1CC12CC[NH2+]CC2)N1CCOC2(C[NH2+]C2)C1 ZINC001261646920 826555904 /nfs/dbraw/zinc/55/59/04/826555904.db2.gz BPBORUBSWLFRKV-LLVKDONJSA-N 2 0 265.357 -0.423 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001261823866 826590151 /nfs/dbraw/zinc/59/01/51/826590151.db2.gz LFCAHRFTZFHWEH-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC001261836711 826594436 /nfs/dbraw/zinc/59/44/36/826594436.db2.gz JTXNPKZKTTWNAS-XUXIUFHCSA-N 2 0 298.431 -0.332 20 0 CBADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1COCCN1C ZINC001261836498 826594829 /nfs/dbraw/zinc/59/48/29/826594829.db2.gz DQIPFXJZPORULZ-RNJOBUHISA-N 2 0 257.378 -0.341 20 0 CBADRP C[NH2+][C@H](C)CCNS(=O)(=O)CCC[NH+](C)C ZINC001261853530 826598591 /nfs/dbraw/zinc/59/85/91/826598591.db2.gz KKUBCRPNLIJACB-SNVBAGLBSA-N 2 0 251.396 -0.145 20 0 CBADRP C[NH2+]C[C@H](C)CNS(=O)(=O)CCC[NH+](C)C ZINC001261853848 826598830 /nfs/dbraw/zinc/59/88/30/826598830.db2.gz UCPIUEZGNFBWFL-JTQLQIEISA-N 2 0 251.396 -0.287 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001262008117 826618445 /nfs/dbraw/zinc/61/84/45/826618445.db2.gz BCMMPPIGSQTOMO-UWVGGRQHSA-N 2 0 251.334 -0.122 20 0 CBADRP C[C@@H](NC(=O)[C@@H](N)CC[NH+](C)C)C1CC[NH2+]CC1 ZINC001262006944 826618528 /nfs/dbraw/zinc/61/85/28/826618528.db2.gz NFRRGDWPTGMVFM-PWSUYJOCSA-N 2 0 256.394 -0.230 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001262010829 826619459 /nfs/dbraw/zinc/61/94/59/826619459.db2.gz QAUGLFOGSWLZCM-GMXVVIOVSA-N 2 0 254.378 -0.334 20 0 CBADRP Cn1cncc1CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001262031337 826625962 /nfs/dbraw/zinc/62/59/62/826625962.db2.gz ODOHJBZYFZEVLW-AWEZNQCLSA-N 2 0 263.389 -0.058 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001262033751 826626090 /nfs/dbraw/zinc/62/60/90/826626090.db2.gz IQQWOCHTJMDFMK-TUAOUCFPSA-N 2 0 284.404 -0.171 20 0 CBADRP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC001262039116 826627505 /nfs/dbraw/zinc/62/75/05/826627505.db2.gz IAHNPGADXPFXFE-QCNOEVLYSA-N 2 0 267.373 -0.132 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[NH2+]CCC12CCC2 ZINC001262042483 826627763 /nfs/dbraw/zinc/62/77/63/826627763.db2.gz NAWDBVXIUOZLFF-UHFFFAOYSA-N 2 0 255.362 -0.033 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262062282 826629417 /nfs/dbraw/zinc/62/94/17/826629417.db2.gz VRCDOODBTOCYMI-QNWHQSFQSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC001262062717 826629504 /nfs/dbraw/zinc/62/95/04/826629504.db2.gz FYVPJNWLTDWEBU-FRRDWIJNSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001262073497 826632730 /nfs/dbraw/zinc/63/27/30/826632730.db2.gz TWKZMTKAHDCAFQ-AXFHLTTASA-N 2 0 268.361 -0.950 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC001262096693 826636320 /nfs/dbraw/zinc/63/63/20/826636320.db2.gz DNCJJNKQHADHCX-ZNSHCXBVSA-N 2 0 256.350 -0.519 20 0 CBADRP c1nnn([C@H]2CCC[NH2+]C2)c1CN[C@H]1CC[NH2+]C1 ZINC001262162416 826645797 /nfs/dbraw/zinc/64/57/97/826645797.db2.gz NRWLQJYRWDCOOW-QWRGUYRKSA-N 2 0 250.350 -0.346 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001262160697 826646036 /nfs/dbraw/zinc/64/60/36/826646036.db2.gz MPVBWQHZTFWCBU-HZSPNIEDSA-N 2 0 252.406 -0.179 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001262171848 826648139 /nfs/dbraw/zinc/64/81/39/826648139.db2.gz IWJAPYNGGBVMLW-LBPRGKRZSA-N 2 0 266.389 -0.604 20 0 CBADRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1CC(=O)N1CC[NH2+]CC1 ZINC001262195248 826657660 /nfs/dbraw/zinc/65/76/60/826657660.db2.gz UYDJBIDTFCIQSL-SRVKXCTJSA-N 2 0 254.378 -0.511 20 0 CBADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1nnc2n1CCNC2=O ZINC001262202211 826661220 /nfs/dbraw/zinc/66/12/20/826661220.db2.gz PUNXBHBWKXNQBI-VIFPVBQESA-N 2 0 266.349 -0.371 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC[C@H]1C[NH3+] ZINC001262541708 826701661 /nfs/dbraw/zinc/70/16/61/826701661.db2.gz DTXOMNXAYBNDSQ-RYUDHWBXSA-N 2 0 296.415 -0.360 20 0 CBADRP C[NH2+]CCCNC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001262584159 826712575 /nfs/dbraw/zinc/71/25/75/826712575.db2.gz SEXYAFLPZMPLGS-UHFFFAOYSA-N 2 0 258.366 -0.255 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC001262586914 826713741 /nfs/dbraw/zinc/71/37/41/826713741.db2.gz OIWGMMRIPPMYCC-ZJUUUORDSA-N 2 0 256.350 -0.728 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC001262584403 826714066 /nfs/dbraw/zinc/71/40/66/826714066.db2.gz BBFHRIVSDNYRJQ-DGCLKSJQSA-N 2 0 270.377 -0.255 20 0 CBADRP COCC[NH2+]CCNC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001262585172 826714067 /nfs/dbraw/zinc/71/40/67/826714067.db2.gz VEDGWBIOTIANMC-RKDXNWHRSA-N 2 0 298.309 -0.247 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)NCCN1CCC([NH3+])CC1 ZINC001262588554 826715014 /nfs/dbraw/zinc/71/50/14/826715014.db2.gz IOZOGOWXRCVLGA-JTQLQIEISA-N 2 0 257.382 -0.554 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC001262600767 826717274 /nfs/dbraw/zinc/71/72/74/826717274.db2.gz LJKIDYLZEZSGQY-CKYFFXLPSA-N 2 0 256.350 -0.911 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC[C@@H]1[NH3+] ZINC001263063470 826731776 /nfs/dbraw/zinc/73/17/76/826731776.db2.gz VYYOTDNMXJKYCE-VOAKCMCISA-N 2 0 266.389 -0.430 20 0 CBADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001263067041 826732090 /nfs/dbraw/zinc/73/20/90/826732090.db2.gz BYQVBXLNHLGSOO-GHMZBOCLSA-N 2 0 255.362 -0.001 20 0 CBADRP CC(C)C[NH+]1CCN(C(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001263093137 826735125 /nfs/dbraw/zinc/73/51/25/826735125.db2.gz QEJDYXWDQNKETI-UHFFFAOYSA-N 2 0 269.389 -0.114 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2C[NH2+]CCN2C)C[C@@H](C)O1 ZINC001263093915 826735655 /nfs/dbraw/zinc/73/56/55/826735655.db2.gz QDKCAZSYQJOHGP-MGPQQGTHSA-N 2 0 298.431 -0.495 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]([NH3+])C(C)(C)O)C1 ZINC001263095726 826736311 /nfs/dbraw/zinc/73/63/11/826736311.db2.gz UXULYUMXEIGVEQ-WDEREUQCSA-N 2 0 257.378 -0.067 20 0 CBADRP C[C@]1(C(=O)NCCCC[NH+]2CCOCC2)C[C@@H](O)C[NH2+]1 ZINC001263095130 826736983 /nfs/dbraw/zinc/73/69/83/826736983.db2.gz DLGKZWVONVFCAY-TZMCWYRMSA-N 2 0 285.388 -0.672 20 0 CBADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CNCC[NH3+] ZINC001263096785 826737347 /nfs/dbraw/zinc/73/73/47/826737347.db2.gz BPRCQDMPSMBADM-CQSZACIVSA-N 2 0 278.400 -0.176 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001263102290 826738018 /nfs/dbraw/zinc/73/80/18/826738018.db2.gz QHVCUBZVESIZFK-FRRDWIJNSA-N 2 0 269.389 -0.074 20 0 CBADRP C[N@@H+]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC1 ZINC001263105085 826738426 /nfs/dbraw/zinc/73/84/26/826738426.db2.gz FCQRYOCWJXDLJN-OCCSQVGLSA-N 2 0 267.373 -0.223 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)[C@H](C)C[NH2+]1 ZINC001263104749 826738494 /nfs/dbraw/zinc/73/84/94/826738494.db2.gz SAYUNSYJOMHHIZ-VXGBXAGGSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)NC[C@H]([NH3+])C2CC2)CCOCC1 ZINC001263104665 826738523 /nfs/dbraw/zinc/73/85/23/826738523.db2.gz OZXMIDXSRVMWOG-ONGXEEELSA-N 2 0 255.362 -0.016 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C[C@@]2(O)CCC[NH2+]C2)CC[NH2+]1 ZINC001263106820 826739481 /nfs/dbraw/zinc/73/94/81/826739481.db2.gz GTIYLVWSIUYRMK-MDZLAQPJSA-N 2 0 255.362 -0.252 20 0 CBADRP C[NH+](C)CCNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001263108355 826739552 /nfs/dbraw/zinc/73/95/52/826739552.db2.gz VHRUQIWSRGIKRY-UHFFFAOYSA-N 2 0 254.334 -0.437 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[NH2+]1 ZINC001263107371 826739692 /nfs/dbraw/zinc/73/96/92/826739692.db2.gz VIYIOXWZOSJOSQ-IJLUTSLNSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCC(CC[NH3+])CC1 ZINC001263151220 826743828 /nfs/dbraw/zinc/74/38/28/826743828.db2.gz WDRNPTRVGRHPBZ-CMPLNLGQSA-N 2 0 257.378 -0.210 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCC(CC[NH3+])CC1 ZINC001263151222 826743949 /nfs/dbraw/zinc/74/39/49/826743949.db2.gz WDRNPTRVGRHPBZ-PWSUYJOCSA-N 2 0 257.378 -0.210 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)C1 ZINC001263155868 826744619 /nfs/dbraw/zinc/74/46/19/826744619.db2.gz IEJOVRZMLNSISU-JBLDHEPKSA-N 2 0 269.345 -1.000 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001263156161 826745500 /nfs/dbraw/zinc/74/55/00/826745500.db2.gz OBUATKDOHNDHHO-KXUCPTDWSA-N 2 0 253.346 -0.393 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[C@@H](O)C[NH2+]C)C1 ZINC001263160961 826745882 /nfs/dbraw/zinc/74/58/82/826745882.db2.gz SDPIWAMVIULLSX-SRVKXCTJSA-N 2 0 257.378 -0.197 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001263157684 826746396 /nfs/dbraw/zinc/74/63/96/826746396.db2.gz GPVXNPGIGRXBSI-KGPNIALWSA-N 2 0 253.346 -0.559 20 0 CBADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC001263162530 826747595 /nfs/dbraw/zinc/74/75/95/826747595.db2.gz MVQCRXVDKZWPEG-OLZOCXBDSA-N 2 0 263.341 -0.189 20 0 CBADRP [NH3+][C@H]1CC=C(C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001263169850 826748029 /nfs/dbraw/zinc/74/80/29/826748029.db2.gz ZNTJFENQDVIUNI-RYUDHWBXSA-N 2 0 253.346 -0.393 20 0 CBADRP O=C(C1=NO[C@@]2(C1)CCC[NH2+]C2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001263171914 826748142 /nfs/dbraw/zinc/74/81/42/826748142.db2.gz FVKJUSQWBWJISX-OUJBWJOFSA-N 2 0 264.329 -0.542 20 0 CBADRP C[C@]1(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C[C@H](O)C[NH2+]1 ZINC001263169830 826748184 /nfs/dbraw/zinc/74/81/84/826748184.db2.gz YZOSWBMLVGLXHV-SCUASFONSA-N 2 0 267.373 -0.443 20 0 CBADRP C[C@]1(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)CCC[NH2+]C1 ZINC001263168468 826748506 /nfs/dbraw/zinc/74/85/06/826748506.db2.gz NRQZOZNYYJIJPY-OCCSQVGLSA-N 2 0 269.389 -0.051 20 0 CBADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001263169706 826748607 /nfs/dbraw/zinc/74/86/07/826748607.db2.gz WCOMSAYUJFKSSA-NEPJUHHUSA-N 2 0 269.389 -0.053 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC001263212473 826753821 /nfs/dbraw/zinc/75/38/21/826753821.db2.gz UFCLUJVHZBVIMJ-KOLCDFICSA-N 2 0 277.315 -0.457 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)CC[NH2+]CC2CC2)C1 ZINC001263212465 826753908 /nfs/dbraw/zinc/75/39/08/826753908.db2.gz TXRPUARLLATCIG-CYBMUJFWSA-N 2 0 255.362 -0.312 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC001263216437 826754871 /nfs/dbraw/zinc/75/48/71/826754871.db2.gz MDJAPEACFBEKDT-OPRDCNLKSA-N 2 0 257.334 -0.680 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001263242485 826757893 /nfs/dbraw/zinc/75/78/93/826757893.db2.gz NFVQOBGTVIGORD-GFCCVEGCSA-N 2 0 284.404 -0.406 20 0 CBADRP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)CN1CC[NH2+]CC1 ZINC001263256006 826759284 /nfs/dbraw/zinc/75/92/84/826759284.db2.gz NSBSHUWPMSPDSI-DGCLKSJQSA-N 2 0 252.362 -0.769 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2C[C@H]([NH3+])C23CCC3)C[C@H](O)C[NH2+]1 ZINC001263264022 826760036 /nfs/dbraw/zinc/76/00/36/826760036.db2.gz BCBKYBFMYQTYJN-UXCLJVHYSA-N 2 0 253.346 -0.515 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCC[NH2+]CC1 ZINC001263262148 826760207 /nfs/dbraw/zinc/76/02/07/826760207.db2.gz ZAIIOGKPNLRWTB-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP O=C(C[C@H]1CC[NH2+]C1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001263282173 826761137 /nfs/dbraw/zinc/76/11/37/826761137.db2.gz TTXPJSZKYVGVIX-LLVKDONJSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]C[C@H]1CCCC12CCN(C(=O)C1(O)C[NH2+]C1)CC2 ZINC001263311956 826762328 /nfs/dbraw/zinc/76/23/28/826762328.db2.gz XHMMQKBNBBJTTQ-LLVKDONJSA-N 2 0 267.373 -0.312 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@@H](CO)C1 ZINC001263306086 826762953 /nfs/dbraw/zinc/76/29/53/826762953.db2.gz PIXYNTDPMITOCO-MBNYWOFBSA-N 2 0 267.373 -0.489 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1C[NH2+]CC12CC2 ZINC001263324624 826763366 /nfs/dbraw/zinc/76/33/66/826763366.db2.gz YLWPWGPTMDRMID-IJLUTSLNSA-N 2 0 264.373 -0.757 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@H]1C[NH2+]CC12CC2 ZINC001263324626 826764186 /nfs/dbraw/zinc/76/41/86/826764186.db2.gz YLWPWGPTMDRMID-WOPDTQHZSA-N 2 0 264.373 -0.757 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001263850311 826785268 /nfs/dbraw/zinc/78/52/68/826785268.db2.gz LFNUWCCOTJMCFE-TXEJJXNPSA-N 2 0 255.362 -0.441 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCOCCO ZINC001264172797 826799626 /nfs/dbraw/zinc/79/96/26/826799626.db2.gz QURJBCWUFJBKOU-MCIONIFRSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCO)[C@@H]1C)[NH+](C)C ZINC001264169645 826799662 /nfs/dbraw/zinc/79/96/62/826799662.db2.gz PYEZXGBNYFGAGD-WOPDTQHZSA-N 2 0 257.378 -0.102 20 0 CBADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCO)[C@@H]1C)[NH+](C)C ZINC001264169644 826799729 /nfs/dbraw/zinc/79/97/29/826799729.db2.gz PYEZXGBNYFGAGD-GRYCIOLGSA-N 2 0 257.378 -0.102 20 0 CBADRP C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)CC(N)=O ZINC001265000805 826831954 /nfs/dbraw/zinc/83/19/54/826831954.db2.gz FDBOKUSRUDPLGB-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)[C@H]1CCN(C)C1=O ZINC001265072872 826845727 /nfs/dbraw/zinc/84/57/27/826845727.db2.gz IGFFCLAURMQUTR-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]CCCO)C2CC2)C1 ZINC001265380499 826888304 /nfs/dbraw/zinc/88/83/04/826888304.db2.gz OCGCWCPASCRTIG-QWHCGFSZSA-N 2 0 269.389 -0.195 20 0 CBADRP COCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001265458318 826895474 /nfs/dbraw/zinc/89/54/74/826895474.db2.gz RTNAUVMLLHLEFX-RYUDHWBXSA-N 2 0 255.362 -0.225 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]CCOCCO)C2)C1 ZINC001265502921 826900046 /nfs/dbraw/zinc/90/00/46/826900046.db2.gz CPFAUTCBLBUZTK-MGPQQGTHSA-N 2 0 299.415 -0.426 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21)[NH+](C)C ZINC001265722732 826911137 /nfs/dbraw/zinc/91/11/37/826911137.db2.gz UJVNNDZSASAFGX-BNDIWNMDSA-N 2 0 269.389 -0.246 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@H](C)C(N)=O ZINC001265849397 826929124 /nfs/dbraw/zinc/92/91/24/826929124.db2.gz WOFMXJFWYLUFKW-VHSXEESVSA-N 2 0 258.366 -0.704 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC001265849398 826929149 /nfs/dbraw/zinc/92/91/49/826929149.db2.gz WOFMXJFWYLUFKW-ZJUUUORDSA-N 2 0 258.366 -0.704 20 0 CBADRP C[C@@H](CNC(=O)CCCC[NH+](C)C)[NH2+][C@H]1CCNC1=O ZINC001265851504 826929196 /nfs/dbraw/zinc/92/91/96/826929196.db2.gz OOFPEOMHRKPAQY-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001265912098 826937105 /nfs/dbraw/zinc/93/71/05/826937105.db2.gz NRLUQCMMIYJIHE-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP C[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CC(N)=O ZINC001265936736 826940494 /nfs/dbraw/zinc/94/04/94/826940494.db2.gz FZUZQPXTQYKUJV-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP CN(C)C(=O)C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001265971752 826945239 /nfs/dbraw/zinc/94/52/39/826945239.db2.gz ZFJCYDBLXGVTHF-GFCCVEGCSA-N 2 0 284.404 -0.536 20 0 CBADRP CC[N@H+](CCO)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001266028125 826948571 /nfs/dbraw/zinc/94/85/71/826948571.db2.gz JJMWQTWPRBCDQM-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@H+](CCO)C2)CC1 ZINC001266236794 826962198 /nfs/dbraw/zinc/96/21/98/826962198.db2.gz NQKCCYIZAUKDFH-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H](O)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001266584775 827027754 /nfs/dbraw/zinc/02/77/54/827027754.db2.gz MEOLTWDPJOKXME-SYQHCUMBSA-N 2 0 299.415 -0.285 20 0 CBADRP CN(CC[NH2+]CC(=O)N1CCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001266660961 827042468 /nfs/dbraw/zinc/04/24/68/827042468.db2.gz YBTZIVYRKJXDPB-GFCCVEGCSA-N 2 0 282.388 -0.639 20 0 CBADRP CN(CC[NH2+]CCO)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001266798871 827068011 /nfs/dbraw/zinc/06/80/11/827068011.db2.gz WYBASRBEQIHMHF-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@@H](C)C(N)=O ZINC001266968012 827099825 /nfs/dbraw/zinc/09/98/25/827099825.db2.gz RQZYBJJEARQTGG-ZJUUUORDSA-N 2 0 258.366 -0.704 20 0 CBADRP C[C@H](O)C[NH2+]CCN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001267017836 827107838 /nfs/dbraw/zinc/10/78/38/827107838.db2.gz QUVMCZQAWVTHMS-JSGCOSHPSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCO ZINC001267140317 827117221 /nfs/dbraw/zinc/11/72/21/827117221.db2.gz OEVNRQZLCNHXIM-RYUDHWBXSA-N 2 0 257.378 -0.053 20 0 CBADRP CC[N@H+](CCCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001267255403 827139173 /nfs/dbraw/zinc/13/91/73/827139173.db2.gz GGSBMNDAEILUMF-UHFFFAOYSA-N 2 0 269.389 -0.097 20 0 CBADRP C[C@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001267275212 827141857 /nfs/dbraw/zinc/14/18/57/827141857.db2.gz UZCPANLFJXKKBB-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CCO ZINC001267282964 827142413 /nfs/dbraw/zinc/14/24/13/827142413.db2.gz ZESBKFBIHIEPNE-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCOCCO)C1 ZINC001267299058 827144820 /nfs/dbraw/zinc/14/48/20/827144820.db2.gz WLJCKHXHQGHJGI-ZIAGYGMSSA-N 2 0 299.415 -0.472 20 0 CBADRP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001267300087 827145915 /nfs/dbraw/zinc/14/59/15/827145915.db2.gz KKHYPGXTAAWXTL-LBPRGKRZSA-N 2 0 257.378 -0.241 20 0 CBADRP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001267354875 827156432 /nfs/dbraw/zinc/15/64/32/827156432.db2.gz AUPBPBQMJPMRQM-GHMZBOCLSA-N 2 0 268.361 -0.983 20 0 CBADRP CNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001267393324 827164050 /nfs/dbraw/zinc/16/40/50/827164050.db2.gz BNIGSHKMBURGHH-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP CCNC(=O)C[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001267428937 827169637 /nfs/dbraw/zinc/16/96/37/827169637.db2.gz HHZXFWLZEGDKKB-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP CC[C@@H](C(=O)N(C)CC[NH2+]CCN1CCCC1=O)[NH+](C)C ZINC001267429662 827170516 /nfs/dbraw/zinc/17/05/16/827170516.db2.gz CYWCTBSCJZFBNZ-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@@H](C(=O)N(C)CC[NH2+]CCn1cncn1)[NH+](C)C ZINC001267457013 827174609 /nfs/dbraw/zinc/17/46/09/827174609.db2.gz RDULKCUDSRNGMX-LBPRGKRZSA-N 2 0 282.392 -0.334 20 0 CBADRP CCCCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267470372 827174783 /nfs/dbraw/zinc/17/47/83/827174783.db2.gz VQCUJPJQLWXWHI-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CCCCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267470373 827175843 /nfs/dbraw/zinc/17/58/43/827175843.db2.gz VQCUJPJQLWXWHI-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CCN1CCO[C@H](C(=O)N(C)CC[NH2+]C[C@@H](C)OC)C1 ZINC001267471257 827175908 /nfs/dbraw/zinc/17/59/08/827175908.db2.gz ANUABFXUOOYLOY-OLZOCXBDSA-N 2 0 287.404 -0.210 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCOCCO)C2)C1 ZINC001267754131 827216273 /nfs/dbraw/zinc/21/62/73/827216273.db2.gz BJKTUWJAQRQBCS-QWHCGFSZSA-N 2 0 285.388 -0.863 20 0 CBADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(N)=O ZINC001267829428 827227298 /nfs/dbraw/zinc/22/72/98/827227298.db2.gz UDQQNOSECZDHLS-SNVBAGLBSA-N 2 0 256.350 -0.948 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001268011748 827241136 /nfs/dbraw/zinc/24/11/36/827241136.db2.gz XXLPJLDNVJEESV-NWDGAFQWSA-N 2 0 269.389 -0.195 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CCOCCO)C2)C1 ZINC001268235767 827266368 /nfs/dbraw/zinc/26/63/68/827266368.db2.gz PFNZFYGDFORMMB-KBPBESRZSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@H](CC[NH2+]Cc1cnnn1C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268349373 827313404 /nfs/dbraw/zinc/31/34/04/827313404.db2.gz JRDNQKAHNVUYKU-DGCLKSJQSA-N 2 0 294.403 -0.106 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001268375880 827317268 /nfs/dbraw/zinc/31/72/68/827317268.db2.gz SQZXKYXYRHUJPB-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[C@@H](C(=O)NC/C=C\C[NH2+]CC(N)=O)[NH+](C)C ZINC001268616523 827379870 /nfs/dbraw/zinc/37/98/70/827379870.db2.gz IRFFXUIGSKAEQQ-OMMCCPJFSA-N 2 0 256.350 -0.926 20 0 CBADRP C[N@H+](CC(=O)NC/C=C/C[NH2+]CCO)C1CCC1 ZINC001268549477 827362933 /nfs/dbraw/zinc/36/29/33/827362933.db2.gz GUVZDHRLNVSUIF-NSCUHMNNSA-N 2 0 255.362 -0.275 20 0 CBADRP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]CCO)[NH+](C)C ZINC001268551349 827363009 /nfs/dbraw/zinc/36/30/09/827363009.db2.gz FPYGZRUEQYFVEJ-FYJFLYSWSA-N 2 0 257.378 -0.173 20 0 CBADRP CC[C@@H](C(=O)NC/C=C/C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001268591908 827376073 /nfs/dbraw/zinc/37/60/73/827376073.db2.gz DEBWBPGUXPBZAR-GUOLPTJISA-N 2 0 284.404 -0.323 20 0 CBADRP NC(=O)C[NH2+]C/C=C/CNC(=O)CC[NH+]1CCCCC1 ZINC001268630545 827381954 /nfs/dbraw/zinc/38/19/54/827381954.db2.gz MJLNHZFFSZUKHL-NSCUHMNNSA-N 2 0 282.388 -0.390 20 0 CBADRP C[C@H](C[NH2+]CCOCCO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268640176 827388739 /nfs/dbraw/zinc/38/87/39/827388739.db2.gz SBCZYPRUMVCMLE-NEPJUHHUSA-N 2 0 273.377 -0.816 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCO ZINC001268689031 827403698 /nfs/dbraw/zinc/40/36/98/827403698.db2.gz NPPGRPFEKBGZGE-NWDGAFQWSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@@H](C[NH2+]CCn1cncn1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001268702189 827406286 /nfs/dbraw/zinc/40/62/86/827406286.db2.gz XJHQZVVMDBIKTA-LBPRGKRZSA-N 2 0 294.403 -0.286 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001268717119 827410049 /nfs/dbraw/zinc/41/00/49/827410049.db2.gz RCHOBWICPSSDNM-UWVGGRQHSA-N 2 0 258.366 -0.705 20 0 CBADRP CN(CCC[NH2+]CC(N)=O)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001268800580 827423791 /nfs/dbraw/zinc/42/37/91/827423791.db2.gz PGEYDMWODLVRBH-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP CN(CCC[NH2+]CC(N)=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268810154 827424620 /nfs/dbraw/zinc/42/46/20/827424620.db2.gz BBVJMSIYCXAVBK-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP CC[C@@H](C(=O)NCC1C[NH+](CCCO)C1)[NH+](C)C ZINC001268878979 827435108 /nfs/dbraw/zinc/43/51/08/827435108.db2.gz JFUQIIIAJMKMBY-LBPRGKRZSA-N 2 0 257.378 -0.243 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)C[N@H+](C)C(C)C ZINC001268958466 827445200 /nfs/dbraw/zinc/44/52/00/827445200.db2.gz KULZGUJEDYXBJF-LBPRGKRZSA-N 2 0 286.420 -0.101 20 0 CBADRP CN(CC(=O)N1CCC2(C[NH+](C)C2)CC1)C(N)=[NH2+] ZINC001268997201 827447297 /nfs/dbraw/zinc/44/72/97/827447297.db2.gz WWDLPJVTNKIQPP-UHFFFAOYSA-N 2 0 253.350 -0.634 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCCO)C1CC1 ZINC001269051229 827456968 /nfs/dbraw/zinc/45/69/68/827456968.db2.gz PKTFBBQSGKHXMS-CHWSQXEVSA-N 2 0 269.389 -0.053 20 0 CBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@H]1C[NH2+]CCO ZINC001270051584 827544836 /nfs/dbraw/zinc/54/48/36/827544836.db2.gz YRMWHXJVWYQGIG-UONOGXRCSA-N 2 0 281.400 -0.099 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]CCO ZINC001270436882 827568526 /nfs/dbraw/zinc/56/85/26/827568526.db2.gz SOFRZUCDIJFJKU-RYUDHWBXSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]CCO ZINC001270436880 827568768 /nfs/dbraw/zinc/56/87/68/827568768.db2.gz SOFRZUCDIJFJKU-NEPJUHHUSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC(=O)N(C)C)C2 ZINC001271081415 827619744 /nfs/dbraw/zinc/61/97/44/827619744.db2.gz QSNPYBGWTPFLLN-UHFFFAOYSA-N 2 0 296.415 -0.439 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC(N)=O ZINC001271493719 827705227 /nfs/dbraw/zinc/70/52/27/827705227.db2.gz CXLBCRJCNKREBG-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC(N)=O ZINC001271493717 827705658 /nfs/dbraw/zinc/70/56/58/827705658.db2.gz CXLBCRJCNKREBG-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CC[NH2+]CC(N)=O)C1 ZINC001271610343 827714634 /nfs/dbraw/zinc/71/46/34/827714634.db2.gz VYZPCMMUAXWDJA-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1C[C@@H]2CCN(C(=O)C3(O)CC[NH+](C)CC3)[C@@H]2C1 ZINC001271800854 827727405 /nfs/dbraw/zinc/72/74/05/827727405.db2.gz CIXKVFBJFJFDMM-NWDGAFQWSA-N 2 0 267.373 -0.394 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC3(C2)CC[N@H+](C)C3)CC1 ZINC001271905252 827734195 /nfs/dbraw/zinc/73/41/95/827734195.db2.gz KYPOOKZWVQCREE-UHFFFAOYSA-N 2 0 280.416 -0.212 20 0 CBADRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)C1([NH+](C)C)CC1 ZINC001272308261 827779129 /nfs/dbraw/zinc/77/91/29/827779129.db2.gz WPBNQYSXOJURKR-BETUJISGSA-N 2 0 280.416 -0.073 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)C[NH2+]CCF ZINC001272444550 827799232 /nfs/dbraw/zinc/79/92/32/827799232.db2.gz VXQJGMZRDUAJJM-NEPJUHHUSA-N 2 0 275.368 -0.103 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)C[NH2+]CCF ZINC001272444552 827799445 /nfs/dbraw/zinc/79/94/45/827799445.db2.gz VXQJGMZRDUAJJM-RYUDHWBXSA-N 2 0 275.368 -0.103 20 0 CBADRP CCC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001272558748 827820343 /nfs/dbraw/zinc/82/03/43/827820343.db2.gz BFNCCDFCDPNMDX-NEPJUHHUSA-N 2 0 257.378 -0.195 20 0 CBADRP CN1C[C@@H]2CN(C(=O)[C@H]3C[C@@H]([NH+](C)C)C3)C[C@H](C1)O2 ZINC001272614226 827828088 /nfs/dbraw/zinc/82/80/88/827828088.db2.gz URZSIKQOGJKGDX-MPZDIEGVSA-N 2 0 267.373 -0.132 20 0 CBADRP C[C@@H](CC[NH2+]CC(=O)N(C)C)NC(=O)CC[NH+](C)C ZINC001272993026 827855031 /nfs/dbraw/zinc/85/50/31/827855031.db2.gz GXCKXMDCGLMTRL-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001273070174 827862148 /nfs/dbraw/zinc/86/21/48/827862148.db2.gz ULVYPRHGCCLMEY-PSEXLTFBSA-N 2 0 267.373 -0.206 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)NC)[NH+](C)C ZINC001273123752 827866354 /nfs/dbraw/zinc/86/63/54/827866354.db2.gz YXULDDJXSUMWMT-WDEREUQCSA-N 2 0 272.393 -0.443 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001273276705 827883117 /nfs/dbraw/zinc/88/31/17/827883117.db2.gz LIYSITAIPUOCCR-OLZOCXBDSA-N 2 0 285.388 -0.720 20 0 CBADRP CCN(CC[NH2+]C[C@H](C)O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001273298488 827887246 /nfs/dbraw/zinc/88/72/46/827887246.db2.gz QRYXFECXYXGWMP-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP CCN(CC[NH2+]CC(N)=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001273448522 827900977 /nfs/dbraw/zinc/90/09/77/827900977.db2.gz CLEQOCCKWQZBAK-UHFFFAOYSA-N 2 0 296.415 -0.214 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273703244 827920110 /nfs/dbraw/zinc/92/01/10/827920110.db2.gz DQXLPCIODATJNK-IUODEOHRSA-N 2 0 296.415 -0.264 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC1CC1 ZINC001273912205 827941619 /nfs/dbraw/zinc/94/16/19/827941619.db2.gz WYCRGVALIKPUGW-XQJDBVBESA-N 2 0 294.399 -0.379 20 0 CBADRP CC[C@@H]([NH2+]C/C=C/CNC(=O)Cc1c[nH]cn1)C(N)=O ZINC001274394867 827986119 /nfs/dbraw/zinc/98/61/19/827986119.db2.gz QEFAAFMOXJCINX-PGLGOXFNSA-N 2 0 279.344 -0.522 20 0 CBADRP CC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274551941 827997608 /nfs/dbraw/zinc/99/76/08/827997608.db2.gz CXDBNFHJOVSXNH-UKRRQHHQSA-N 2 0 299.415 -0.378 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001274607929 828007765 /nfs/dbraw/zinc/00/77/65/828007765.db2.gz BIGUWVASETYXHR-BLDJZWNYSA-N 2 0 282.388 -0.394 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001274607935 828008413 /nfs/dbraw/zinc/00/84/13/828008413.db2.gz BIGUWVASETYXHR-XVGAQQEPSA-N 2 0 282.388 -0.394 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)C[N@H+](C)C(C)C ZINC001274608131 828009026 /nfs/dbraw/zinc/00/90/26/828009026.db2.gz DMVIIVGYOHMOQS-NNNHXZLVSA-N 2 0 284.404 -0.277 20 0 CBADRP CNC(=O)C[NH2+]C/C=C\CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001274609297 828012045 /nfs/dbraw/zinc/01/20/45/828012045.db2.gz JYUSMTFFKOYUGJ-DIABFLQPSA-N 2 0 296.415 -0.133 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001274642756 828016379 /nfs/dbraw/zinc/01/63/79/828016379.db2.gz HFEALVUBIJNDPJ-BFHYXJOUSA-N 2 0 299.415 -0.379 20 0 CBADRP CCOC(=O)CC[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001274933898 828043286 /nfs/dbraw/zinc/04/32/86/828043286.db2.gz OGJSMLIOHHLRTL-KBPBESRZSA-N 2 0 299.415 -0.114 20 0 CBADRP COCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001274981058 828046493 /nfs/dbraw/zinc/04/64/93/828046493.db2.gz XNALXXDHWMTOBA-VXGBXAGGSA-N 2 0 267.373 -0.225 20 0 CBADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]21 ZINC001275172825 828062920 /nfs/dbraw/zinc/06/29/20/828062920.db2.gz WLDZMQGHMHBXCQ-KKUMJFAQSA-N 2 0 283.416 -0.031 20 0 CBADRP C[C@@H](C[NH2+]CCn1cncn1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001275309656 828077239 /nfs/dbraw/zinc/07/72/39/828077239.db2.gz GUIHWJUTEDBHDP-STQMWFEESA-N 2 0 294.403 -0.286 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]CCO)C2)C1 ZINC001275324042 828077859 /nfs/dbraw/zinc/07/78/59/828077859.db2.gz PWVSSTOLSNWQSI-MOENNCHZSA-N 2 0 255.362 -0.585 20 0 CBADRP C[NH+](C)CCN1CCO[C@H]2CN(Cc3ccnnc3)C[C@@H]21 ZINC001275880039 828119556 /nfs/dbraw/zinc/11/95/56/828119556.db2.gz UUJHKFUNFOZDET-GJZGRUSLSA-N 2 0 291.399 -0.077 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CCOCCO ZINC001276002254 828129537 /nfs/dbraw/zinc/12/95/37/828129537.db2.gz JSINLDVKZHCKTK-OLZOCXBDSA-N 2 0 287.404 -0.617 20 0 CBADRP CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)C[N@H+](C)C1CCC1 ZINC001276047700 828131890 /nfs/dbraw/zinc/13/18/90/828131890.db2.gz FCYMDLYVTYBBSK-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)C(N)=O ZINC001276076298 828133031 /nfs/dbraw/zinc/13/30/31/828133031.db2.gz NATFOGQUYKJRND-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001276076300 828133247 /nfs/dbraw/zinc/13/32/47/828133247.db2.gz NATFOGQUYKJRND-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)C[NH2+]CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001276387130 828144014 /nfs/dbraw/zinc/14/40/14/828144014.db2.gz WYROQBLWOKKQLK-UHFFFAOYSA-N 2 0 270.377 -0.734 20 0 CBADRP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1C[NH+](CCO)C1 ZINC001276433739 828146167 /nfs/dbraw/zinc/14/61/67/828146167.db2.gz WICLIRPJFHVZHZ-VXGBXAGGSA-N 2 0 269.389 -0.243 20 0 CBADRP COC(C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12)OC ZINC001276641814 828154314 /nfs/dbraw/zinc/15/43/14/828154314.db2.gz BSHMPSPEKQZMGW-VXGBXAGGSA-N 2 0 297.399 -0.253 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]CCO)C1CC1 ZINC001276702378 828155866 /nfs/dbraw/zinc/15/58/66/828155866.db2.gz CDILPXHZJHYHDW-LBPRGKRZSA-N 2 0 255.362 -0.441 20 0 CBADRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](CC(=O)NC3CC3)[C@@H]2C1 ZINC001277630642 828199913 /nfs/dbraw/zinc/19/99/13/828199913.db2.gz PQFABTFPVDVZHP-GXTWGEPZSA-N 2 0 280.416 -0.167 20 0 CBADRP C[C@@H](O)C[NH+]1CC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001277955714 828222452 /nfs/dbraw/zinc/22/24/52/828222452.db2.gz UALFMVFCADAOLC-OCCSQVGLSA-N 2 0 293.411 -0.004 20 0 CBADRP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001277982113 828226039 /nfs/dbraw/zinc/22/60/39/828226039.db2.gz UBEYAZFDPWXKSX-UHFFFAOYSA-N 2 0 268.405 -0.179 20 0 CBADRP C[C@H](CO)C[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277999055 828229638 /nfs/dbraw/zinc/22/96/38/828229638.db2.gz XZWSLSNMRCEGRX-IHRRRGAJSA-N 2 0 271.405 -0.439 20 0 CBADRP CC(C)[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001278179661 828257260 /nfs/dbraw/zinc/25/72/60/828257260.db2.gz SVNQJSZBVUOSNN-VXGBXAGGSA-N 2 0 257.378 -0.197 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]CC1CC1 ZINC001278196558 828258481 /nfs/dbraw/zinc/25/84/81/828258481.db2.gz ZMTZUZQPOVHWNA-LBPRGKRZSA-N 2 0 255.362 -0.441 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCO)C1 ZINC001278468982 828272074 /nfs/dbraw/zinc/27/20/74/828272074.db2.gz GGEPKHHMUOGHRG-GXTWGEPZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCF)CC[N@@H+]1C ZINC001278756233 828281906 /nfs/dbraw/zinc/28/19/06/828281906.db2.gz MKMWEKBRLNRPSU-GRYCIOLGSA-N 2 0 275.368 -0.295 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CCF)CC[N@@H+]1C ZINC001278756234 828282452 /nfs/dbraw/zinc/28/24/52/828282452.db2.gz MKMWEKBRLNRPSU-IJLUTSLNSA-N 2 0 275.368 -0.295 20 0 CBADRP COCCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001278766724 828285707 /nfs/dbraw/zinc/28/57/07/828285707.db2.gz MJNICGMCVOKHTG-UKRRQHHQSA-N 2 0 299.415 -0.330 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001279395893 828321597 /nfs/dbraw/zinc/32/15/97/828321597.db2.gz ODIPGFGVKCAHBX-TXEJJXNPSA-N 2 0 255.362 -0.679 20 0 CBADRP c1c(CCN2CC[NH2+]CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001348512761 890637523 /nfs/dbraw/zinc/63/75/23/890637523.db2.gz UNZDANDSIWNRCB-GFCCVEGCSA-N 2 0 250.350 -0.740 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001349817061 890897117 /nfs/dbraw/zinc/89/71/17/890897117.db2.gz GOIKVHAVYSAMNT-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001350396628 890976069 /nfs/dbraw/zinc/97/60/69/890976069.db2.gz DPPGPQLHQBRRLZ-IUCAKERBSA-N 2 0 266.349 -0.332 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001351543917 891151148 /nfs/dbraw/zinc/15/11/48/891151148.db2.gz CSJCXNHYMXZOIM-SDDRHHMPSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001326126275 884917506 /nfs/dbraw/zinc/91/75/06/884917506.db2.gz GDVSBZXLPPPAMG-WCQGTBRESA-N 2 0 255.362 -0.064 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)CCCO1 ZINC001326142314 884919109 /nfs/dbraw/zinc/91/91/09/884919109.db2.gz XJNZEENXICLUPJ-GFCCVEGCSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001326146230 884919735 /nfs/dbraw/zinc/91/97/35/884919735.db2.gz FKAGGRJELJOTBP-HBNTYKKESA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001326340094 884998024 /nfs/dbraw/zinc/99/80/24/884998024.db2.gz UPDWLALVJOYOLF-GFCCVEGCSA-N 2 0 268.405 -0.180 20 0 CBADRP Cn1ccc(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)n1 ZINC001326597023 885083592 /nfs/dbraw/zinc/08/35/92/885083592.db2.gz RAEOBZNYDHZVFN-AWEZNQCLSA-N 2 0 281.404 -0.840 20 0 CBADRP [NH3+]CCOCC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001326798246 885153962 /nfs/dbraw/zinc/15/39/62/885153962.db2.gz VLWSEQZTMGDHCL-GFCCVEGCSA-N 2 0 285.388 -0.421 20 0 CBADRP CNC(=O)CC1CC[NH+](C[C@](C)(O)C[NH2+]C)CC1 ZINC001326799673 885154273 /nfs/dbraw/zinc/15/42/73/885154273.db2.gz FNGCXJBEQONEKW-CYBMUJFWSA-N 2 0 257.378 -0.195 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC001326833433 885168197 /nfs/dbraw/zinc/16/81/97/885168197.db2.gz YGBIMNSAOATZFQ-SECBINFHSA-N 2 0 254.338 -0.645 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001326833773 885169177 /nfs/dbraw/zinc/16/91/77/885169177.db2.gz IEZFDGOMWUHBLD-AXFHLTTASA-N 2 0 268.361 -0.950 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCCO)C1 ZINC001326959895 885206770 /nfs/dbraw/zinc/20/67/70/885206770.db2.gz YWHCPCYTEGRORR-STQMWFEESA-N 2 0 285.388 -0.720 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)CCC[NH3+])C[C@H]2[NH3+])cn1 ZINC001326940481 885197092 /nfs/dbraw/zinc/19/70/92/885197092.db2.gz BFYLQJRORQWMJT-WDEREUQCSA-N 2 0 251.334 -0.588 20 0 CBADRP CC[C@H](O)CCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001327006417 885221537 /nfs/dbraw/zinc/22/15/37/885221537.db2.gz YHGUJFGJHYLZRV-UONOGXRCSA-N 2 0 273.421 -0.265 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)NC[C@H]([NH3+])C2CC2)nn1 ZINC001327104023 885256456 /nfs/dbraw/zinc/25/64/56/885256456.db2.gz CPLFVRPQEZFYPX-JTQLQIEISA-N 2 0 266.349 -0.516 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)nn1 ZINC001327131390 885267392 /nfs/dbraw/zinc/26/73/92/885267392.db2.gz QRNKOCZGKXGYBW-QMMMGPOBSA-N 2 0 294.281 -0.364 20 0 CBADRP COCCOC[C@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001327978727 885544287 /nfs/dbraw/zinc/54/42/87/885544287.db2.gz RIIUFWYTQBTVSW-KBPBESRZSA-N 2 0 289.420 -0.764 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CC1([NH3+])CC1 ZINC001327926796 885531828 /nfs/dbraw/zinc/53/18/28/885531828.db2.gz CFXLATFAVWMIKY-LLVKDONJSA-N 2 0 254.378 -0.380 20 0 CBADRP CN(C)C(=O)[C@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001328398345 885668149 /nfs/dbraw/zinc/66/81/49/885668149.db2.gz JICRYUGOCFHOIS-VXGBXAGGSA-N 2 0 254.378 -0.652 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC001328437579 885687394 /nfs/dbraw/zinc/68/73/94/885687394.db2.gz PLDJUJNHVCTWJS-IRCOFANPSA-N 2 0 255.362 -0.064 20 0 CBADRP C[NH+](C)CC1(C(=O)NC2CC(C[NH2+]CCO)C2)CC1 ZINC001328904648 885844009 /nfs/dbraw/zinc/84/40/09/885844009.db2.gz NBYIDKOVJXAOTR-UHFFFAOYSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001329333004 886020389 /nfs/dbraw/zinc/02/03/89/886020389.db2.gz PNKDFUIWKYBZBM-ZWNOBZJWSA-N 2 0 268.361 -0.948 20 0 CBADRP Cn1nnnc1CC[NH+]1CCC(OCCC[NH3+])CC1 ZINC001329374385 886038447 /nfs/dbraw/zinc/03/84/47/886038447.db2.gz BFWMOEHLJIGEFA-UHFFFAOYSA-N 2 0 268.365 -0.418 20 0 CBADRP CC[C@@]1(C(=O)N2CCCO[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC001329499160 886096690 /nfs/dbraw/zinc/09/66/90/886096690.db2.gz QOYXBCVJWQXMHU-DGCLKSJQSA-N 2 0 255.362 -0.048 20 0 CBADRP COC1(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC[NH2+]CC1 ZINC001329522175 886105632 /nfs/dbraw/zinc/10/56/32/886105632.db2.gz RQEGJMSXAAQZCG-VXGBXAGGSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@H](NC(=O)c1cn(CC[NH3+])nn1)[C@H]1CCC[NH2+]C1 ZINC001329878037 886253140 /nfs/dbraw/zinc/25/31/40/886253140.db2.gz KYFGQMCRHPPMHU-UWVGGRQHSA-N 2 0 266.349 -0.645 20 0 CBADRP [NH3+]C1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC001330262209 886405745 /nfs/dbraw/zinc/40/57/45/886405745.db2.gz MIIUOMPPQZYZPI-UHFFFAOYSA-N 2 0 255.366 -0.976 20 0 CBADRP CCC[NH2+]CCNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC001330616373 886504915 /nfs/dbraw/zinc/50/49/15/886504915.db2.gz VAKYSJSCAYARNK-GFCCVEGCSA-N 2 0 259.350 -0.893 20 0 CBADRP C[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001330624534 886508485 /nfs/dbraw/zinc/50/84/85/886508485.db2.gz CRFWCWRXSIWRMB-MWLCHTKSSA-N 2 0 268.361 -0.855 20 0 CBADRP CCC1([NH3+])CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC001330969483 886639508 /nfs/dbraw/zinc/63/95/08/886639508.db2.gz RZIBFKLTHHOQBH-VIFPVBQESA-N 2 0 254.334 -0.180 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331186551 886716702 /nfs/dbraw/zinc/71/67/02/886716702.db2.gz PICRIRQVWZPCPA-IJLUTSLNSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H]([NH3+])C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001331724197 886935896 /nfs/dbraw/zinc/93/58/96/886935896.db2.gz CRFWCWRXSIWRMB-ONGXEEELSA-N 2 0 268.361 -0.855 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001331947912 887056570 /nfs/dbraw/zinc/05/65/70/887056570.db2.gz JJHTUZHJFOLQGN-QWRGUYRKSA-N 2 0 272.393 -0.314 20 0 CBADRP CC(C)(C(N)=O)N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC001331965063 887067615 /nfs/dbraw/zinc/06/76/15/887067615.db2.gz CMSYNXIKYGBGGO-NEPJUHHUSA-N 2 0 268.405 -0.005 20 0 CBADRP [NH3+]C[C@@H]1CN(C[C@@H]2CC3(C[NH2+]C3)CO2)CCCO1 ZINC001332334613 887208928 /nfs/dbraw/zinc/20/89/28/887208928.db2.gz NTSVUHKQHBPWLX-NWDGAFQWSA-N 2 0 255.362 -0.586 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC001332436656 887281332 /nfs/dbraw/zinc/28/13/32/887281332.db2.gz RWDUBWKQNOOGOW-VIFPVBQESA-N 2 0 254.338 -0.516 20 0 CBADRP C[C@@H]1CCN(CC(=O)N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001332423546 887275414 /nfs/dbraw/zinc/27/54/14/887275414.db2.gz DVJBEABCTMHAPR-VXGBXAGGSA-N 2 0 254.378 -0.665 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001332563916 887358455 /nfs/dbraw/zinc/35/84/55/887358455.db2.gz NKKZZFYMSAUHSS-UHFFFAOYSA-N 2 0 268.405 -0.214 20 0 CBADRP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CC[NH2+]CC[NH2+]CC1 ZINC001334763970 888315747 /nfs/dbraw/zinc/31/57/47/888315747.db2.gz VCNPSFISGOUCJY-UONOGXRCSA-N 3 0 268.405 -0.750 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])CC2)CC[N@@H+]1C ZINC001335207470 888447188 /nfs/dbraw/zinc/44/71/88/888447188.db2.gz RPHBVZTXSWNDNF-VHSXEESVSA-N 2 0 268.361 -0.807 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001335378749 888520906 /nfs/dbraw/zinc/52/09/06/888520906.db2.gz JIQLYEWULTXAGK-QJPTWQEYSA-N 2 0 284.404 -0.267 20 0 CBADRP [NH3+]C[C@@H]1CN(C[C@H]2CCc3ncnn32)CCCO1 ZINC001335521814 888552666 /nfs/dbraw/zinc/55/26/66/888552666.db2.gz MHCWKRGDJNVGAO-GHMZBOCLSA-N 2 0 251.334 -0.185 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC001335602487 888578449 /nfs/dbraw/zinc/57/84/49/888578449.db2.gz AAJHVSYGAWJKKY-HBNTYKKESA-N 2 0 256.350 -0.599 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001335687070 888603263 /nfs/dbraw/zinc/60/32/63/888603263.db2.gz MLHMHLOSOSGRMS-JTQLQIEISA-N 2 0 258.366 -0.480 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2C[C@H](C[NH3+])C2)CCO1 ZINC001335696682 888605577 /nfs/dbraw/zinc/60/55/77/888605577.db2.gz PYNZZDBPAXGDHK-DBIOUOCHSA-N 2 0 256.350 -0.519 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NCCCC[NH3+])C[C@]2(C)C1 ZINC001335777581 888626384 /nfs/dbraw/zinc/62/63/84/888626384.db2.gz FYXLQDYGDAJXJB-RISCZKNCSA-N 2 0 282.388 -0.748 20 0 CBADRP COCCNC(=O)CN1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001336116098 888696629 /nfs/dbraw/zinc/69/66/29/888696629.db2.gz BQSBNECIZYXLJC-BETUJISGSA-N 2 0 284.404 -0.896 20 0 CBADRP CCO[C@@H](CNC(=O)N(C)CC[NH2+]C)C[NH+](C)C ZINC001336193605 888715267 /nfs/dbraw/zinc/71/52/67/888715267.db2.gz RFCJCEIZYBBWPU-NSHDSACASA-N 2 0 260.382 -0.186 20 0 CBADRP O[C@@H]1CC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H]1O ZINC001336279042 888735014 /nfs/dbraw/zinc/73/50/14/888735014.db2.gz YXEIHHRUGXQMMY-QNWHQSFQSA-N 2 0 256.346 -0.818 20 0 CBADRP C[C@@H](NC(=O)c1c(C[NH3+])cnn1C)[C@H]1CCC[NH2+]C1 ZINC001336709110 888852694 /nfs/dbraw/zinc/85/26/94/888852694.db2.gz QVUBUQBXJHWUQN-ZJUUUORDSA-N 2 0 265.361 -0.003 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001336687222 888845754 /nfs/dbraw/zinc/84/57/54/888845754.db2.gz LVYJQSXARMTJEB-DGCLKSJQSA-N 2 0 255.362 -0.443 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001336686514 888845805 /nfs/dbraw/zinc/84/58/05/888845805.db2.gz DVYXZGIPYMMZCJ-LOWVWBTDSA-N 2 0 255.362 -0.273 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001336741137 888862181 /nfs/dbraw/zinc/86/21/81/888862181.db2.gz CKBYZUFXYVOFNP-LBPRGKRZSA-N 2 0 268.405 -0.038 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC2(CC[NH2+]2)CC1 ZINC001336733011 888858173 /nfs/dbraw/zinc/85/81/73/888858173.db2.gz WKEQVQIKDMUAAD-UHFFFAOYSA-N 2 0 252.362 -0.754 20 0 CBADRP CN(CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)CC(F)F ZINC001336771571 888873983 /nfs/dbraw/zinc/87/39/83/888873983.db2.gz BXUHTNDMZXGCRC-GFCCVEGCSA-N 2 0 294.390 -0.619 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001336741911 888864857 /nfs/dbraw/zinc/86/48/57/888864857.db2.gz JQXRHKANJZKHSU-SDDRHHMPSA-N 2 0 254.378 -0.382 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001336743113 888868028 /nfs/dbraw/zinc/86/80/28/888868028.db2.gz VDGILDTYECHFLM-XLFHBGCDSA-N 2 0 261.391 -0.707 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCN2CCCC2)CC1 ZINC001336754094 888868914 /nfs/dbraw/zinc/86/89/14/888868914.db2.gz AHIYHUKFALABKA-CQSZACIVSA-N 2 0 270.421 -0.720 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N1CCC[C@H]([NH3+])C1 ZINC001336864447 888903285 /nfs/dbraw/zinc/90/32/85/888903285.db2.gz CJOPAJVJXYKMEO-NSHDSACASA-N 2 0 258.366 -0.303 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001336927060 888924118 /nfs/dbraw/zinc/92/41/18/888924118.db2.gz QYSQRXQCYOJATP-MNOVXSKESA-N 2 0 268.361 -0.774 20 0 CBADRP CC1(C)CN(C(=O)NC[C@H]2C[NH2+]CCO2)C[C@H]1[NH3+] ZINC001336923449 888923400 /nfs/dbraw/zinc/92/34/00/888923400.db2.gz PYAUPJJRHSFGEJ-NXEZZACHSA-N 2 0 256.350 -0.647 20 0 CBADRP CC1(C)[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])[C@@H]2CCC[NH2+][C@H]21 ZINC001337006160 888947067 /nfs/dbraw/zinc/94/70/67/888947067.db2.gz DNRUJISHZNHNQH-IYKVGLELSA-N 2 0 267.373 -0.005 20 0 CBADRP CCN(C(=O)c1cn(CC[NH3+])nn1)[C@H]1CC[NH2+]C1 ZINC001337094032 888963732 /nfs/dbraw/zinc/96/37/32/888963732.db2.gz DFUCDBXZIXDQIR-VIFPVBQESA-N 2 0 252.322 -0.939 20 0 CBADRP C[NH2+]CCNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001338627708 889184382 /nfs/dbraw/zinc/18/43/82/889184382.db2.gz XBWFJFOTFWRJRW-NWDGAFQWSA-N 2 0 270.377 -0.554 20 0 CBADRP C[NH+](C)CCCNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001339772794 889322170 /nfs/dbraw/zinc/32/21/70/889322170.db2.gz UAWQBYNZNIEDOI-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC3=C(CCC(=O)N3)C2)C1 ZINC001339914701 889344637 /nfs/dbraw/zinc/34/46/37/889344637.db2.gz OXVPCOINRRRHNS-DLOVCJGASA-N 2 0 251.330 -0.293 20 0 CBADRP C[NH+](C)CCCCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001340173316 889402408 /nfs/dbraw/zinc/40/24/08/889402408.db2.gz QTWGNFGUKFJBAM-CYBMUJFWSA-N 2 0 257.378 -0.051 20 0 CBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001340187402 889405496 /nfs/dbraw/zinc/40/54/96/889405496.db2.gz ZGIOUELHIKWQRX-GXFFZTMASA-N 2 0 255.362 -0.252 20 0 CBADRP C[C@]1(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C[C@@H](O)C[NH2+]1 ZINC001340182884 889406126 /nfs/dbraw/zinc/40/61/26/889406126.db2.gz NCUGIVBFHSEWBE-ZXFLCMHBSA-N 2 0 269.267 -0.505 20 0 CBADRP [NH3+]CCCCNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001340268168 889417041 /nfs/dbraw/zinc/41/70/41/889417041.db2.gz ZGTDTBBDCRDJLQ-GFCCVEGCSA-N 2 0 254.334 -0.260 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC001340295896 889420433 /nfs/dbraw/zinc/42/04/33/889420433.db2.gz DUMSUBIKKQEHAC-FRRDWIJNSA-N 2 0 263.341 -0.351 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001340482531 889440109 /nfs/dbraw/zinc/44/01/09/889440109.db2.gz GPYIZIOEFUVJDD-ZDUSSCGKSA-N 2 0 268.361 -0.047 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[C@@H](O)C[NH3+])C1 ZINC001340356381 889424239 /nfs/dbraw/zinc/42/42/39/889424239.db2.gz BYZSYECQVYPAFD-IJLUTSLNSA-N 2 0 255.362 -0.361 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001340527625 889442129 /nfs/dbraw/zinc/44/21/29/889442129.db2.gz QVCNLSHYLFNRFA-BJDJZHNGSA-N 2 0 254.378 -0.383 20 0 CBADRP C[C@H](C(=O)NCC1(O)C[NH2+]C1)[C@@H]([NH3+])c1ccccc1 ZINC001340711099 889471256 /nfs/dbraw/zinc/47/12/56/889471256.db2.gz ZFOSUCPKLBCZHY-CMPLNLGQSA-N 2 0 263.341 -0.227 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC001340676234 889465870 /nfs/dbraw/zinc/46/58/70/889465870.db2.gz JBSLCOQDETVYSF-CWSCBRNRSA-N 2 0 269.345 -0.393 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCCC[NH+](C)C ZINC001340771786 889482736 /nfs/dbraw/zinc/48/27/36/889482736.db2.gz AHOZBWARXYLHKH-GFCCVEGCSA-N 2 0 272.393 -0.456 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC001340877689 889502657 /nfs/dbraw/zinc/50/26/57/889502657.db2.gz VHMBAYHSHQZIQC-LBPRGKRZSA-N 2 0 263.341 -0.342 20 0 CBADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]([NH3+])CO)C1 ZINC001340881930 889504467 /nfs/dbraw/zinc/50/44/67/889504467.db2.gz UNPKBPMYPHVOND-VXGBXAGGSA-N 2 0 255.362 -0.504 20 0 CBADRP CC(C)[NH+]1CCC(CCNC(=O)[C@H]([NH3+])CO)CC1 ZINC001340896714 889510568 /nfs/dbraw/zinc/51/05/68/889510568.db2.gz PFJFLLOMAAXFIF-GFCCVEGCSA-N 2 0 257.378 -0.067 20 0 CBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCN1CCC([NH3+])CC1 ZINC001341056096 889535295 /nfs/dbraw/zinc/53/52/95/889535295.db2.gz GXWPTRMCFMDGJZ-QWHCGFSZSA-N 2 0 268.405 -0.086 20 0 CBADRP CC(C)[NH2+]CCC(=O)N1NC(=O)CC12CC[NH2+]CC2 ZINC001341044329 889535514 /nfs/dbraw/zinc/53/55/14/889535514.db2.gz BVLBQTHMYMQQJZ-UHFFFAOYSA-N 2 0 268.361 -0.240 20 0 CBADRP CC1(C)CC[NH2+][C@H]1C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001341370478 889583400 /nfs/dbraw/zinc/58/34/00/889583400.db2.gz YQTVDMMQUQYHAM-UWVGGRQHSA-N 2 0 253.346 -0.378 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@H]1C[NH2+]CCC12CCC2 ZINC001341418111 889591994 /nfs/dbraw/zinc/59/19/94/889591994.db2.gz QKDQBQGQTHVULO-GARJFASQSA-N 2 0 253.346 -0.785 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C1(C[NH3+])CC(O)C1)C2 ZINC001341476946 889604145 /nfs/dbraw/zinc/60/41/45/889604145.db2.gz IVZYFGBWOOURDZ-AMZBWDOQSA-N 2 0 267.373 -0.456 20 0 CBADRP [NH3+][C@@H](CC(=O)N1CCC[C@H]([NH2+]CCO)C1)C1CC1 ZINC001341477028 889605018 /nfs/dbraw/zinc/60/50/18/889605018.db2.gz JSNKJGFPKGSKIE-RYUDHWBXSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[NH+]1CCC(CO)CC1 ZINC001341509271 889609684 /nfs/dbraw/zinc/60/96/84/889609684.db2.gz SEQIRUSDFSLPQL-ZYHUDNBSSA-N 2 0 255.362 -0.361 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]1)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001341513084 889611070 /nfs/dbraw/zinc/61/10/70/889611070.db2.gz BLWFKTLGVNGINL-CABZTGNLSA-N 2 0 252.318 -0.876 20 0 CBADRP CC(C)C[C@@H]([NH3+])CC(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001341515028 889612708 /nfs/dbraw/zinc/61/27/08/889612708.db2.gz KRWFAOXZSCACKY-ZWNOBZJWSA-N 2 0 268.361 -0.255 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2C[C@@H]([NH3+])C23CCC3)CC[NH2+]C1 ZINC001341550193 889620201 /nfs/dbraw/zinc/62/02/01/889620201.db2.gz AEIRBKRMGKUSPL-MDZLAQPJSA-N 2 0 267.373 -0.001 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CC[NH2+]C[C@@H]2CO)CC[N@@H+]1C ZINC001341581406 889625153 /nfs/dbraw/zinc/62/51/53/889625153.db2.gz QQFLBZPYUPBYKC-GRYCIOLGSA-N 2 0 255.362 -0.491 20 0 CBADRP C[C@H](CC(=O)N1CC[NH2+]C[C@@H]1CO)[C@@H]1CCC[NH2+]C1 ZINC001341579942 889626627 /nfs/dbraw/zinc/62/66/27/889626627.db2.gz MKPQRCQSOXZCLL-JHJVBQTASA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH3+])CC(O)C1)C[NH+]1CCCC1 ZINC001341658225 889642868 /nfs/dbraw/zinc/64/28/68/889642868.db2.gz GMXUNBCGPWMHEV-LKSINWNRSA-N 2 0 269.389 -0.066 20 0 CBADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001341664946 889642928 /nfs/dbraw/zinc/64/29/28/889642928.db2.gz HRQDVBKLYIGKMQ-FZMZJTMJSA-N 2 0 282.388 -0.619 20 0 CBADRP CCC[NH+]1CCC(CNC(=O)C[C@H](O)C[NH3+])CC1 ZINC001341672945 889645181 /nfs/dbraw/zinc/64/51/81/889645181.db2.gz QZAAUXPCSLAIGG-LBPRGKRZSA-N 2 0 257.378 -0.066 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001341672907 889646796 /nfs/dbraw/zinc/64/67/96/889646796.db2.gz PMVIMWBKEPQBKW-BXUZGUMPSA-N 2 0 267.373 -0.156 20 0 CBADRP C[C@@]1(C(=O)NCCN2CCC([NH3+])CC2)CCC[NH2+]C1 ZINC001341689544 889648156 /nfs/dbraw/zinc/64/81/56/889648156.db2.gz APSCYWIPVVTONT-CQSZACIVSA-N 2 0 268.405 -0.085 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC001341683754 889648380 /nfs/dbraw/zinc/64/83/80/889648380.db2.gz IXSKSHAUCSTYJT-WOPDTQHZSA-N 2 0 257.378 -0.245 20 0 CBADRP CN(CC[NH3+])C(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC001341846497 889674551 /nfs/dbraw/zinc/67/45/51/889674551.db2.gz VYNDGSKKRIUGDJ-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001341971369 889691819 /nfs/dbraw/zinc/69/18/19/889691819.db2.gz YBKBBAXAAPVOJR-TZMCWYRMSA-N 2 0 266.389 -0.365 20 0 CBADRP [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)[C@@H]1C[NH2+]CCO1 ZINC001342084389 889707293 /nfs/dbraw/zinc/70/72/93/889707293.db2.gz DGZHLLZZFWEQMB-MDZLAQPJSA-N 2 0 253.346 -0.295 20 0 CBADRP CN(C(=O)C1CC[NH2+]CC1)C1(C[NH3+])CCOCC1 ZINC001342094816 889712170 /nfs/dbraw/zinc/71/21/70/889712170.db2.gz GQXLBQYNTCHSQN-UHFFFAOYSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@]1(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CCC[NH2+]C1 ZINC001342125553 889713364 /nfs/dbraw/zinc/71/33/64/889713364.db2.gz KZNYASCWGAKELG-PWSUYJOCSA-N 2 0 253.346 -0.377 20 0 CBADRP [NH3+]C1CC(CC(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001342249685 889738417 /nfs/dbraw/zinc/73/84/17/889738417.db2.gz KYYWPSBBQYKATN-HTAVTVPLSA-N 2 0 255.362 -0.313 20 0 CBADRP [NH3+]C1CC(CC(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001342249687 889738545 /nfs/dbraw/zinc/73/85/45/889738545.db2.gz KYYWPSBBQYKATN-MCIGGMRASA-N 2 0 255.362 -0.313 20 0 CBADRP CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@H](C)C(N)=O ZINC001443941013 912310134 /nfs/dbraw/zinc/31/01/34/912310134.db2.gz YQANOEJKGLMXEJ-GHMZBOCLSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H](NC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1)C1CC[NH2+]CC1 ZINC001342391764 889767870 /nfs/dbraw/zinc/76/78/70/889767870.db2.gz JSXMAAHADLBXKE-IRUJWGPZSA-N 2 0 255.362 -0.396 20 0 CBADRP CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)NC ZINC001443985124 912316587 /nfs/dbraw/zinc/31/65/87/912316587.db2.gz UXLPNYRDJQNBPY-LLVKDONJSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001342432196 889772885 /nfs/dbraw/zinc/77/28/85/889772885.db2.gz LMQYWVOHYHKJIN-NMKXLXIOSA-N 2 0 267.373 -0.416 20 0 CBADRP [NH3+]C1CC(CC(=O)NCCN2CCC([NH3+])CC2)C1 ZINC001342461708 889782151 /nfs/dbraw/zinc/78/21/51/889782151.db2.gz MNGASRIUKRDCBX-UHFFFAOYSA-N 2 0 254.378 -0.347 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC001342549718 889793201 /nfs/dbraw/zinc/79/32/01/889793201.db2.gz VXOBEAWDNLLCNY-ZKYQVNSYSA-N 2 0 266.389 -0.347 20 0 CBADRP C[NH+](C)CC[C@@H](NC(=O)[C@H]([NH3+])CO)c1cccnc1 ZINC001342550966 889793363 /nfs/dbraw/zinc/79/33/63/889793363.db2.gz MOZHPFCNBAXCOP-VXGBXAGGSA-N 2 0 266.345 -0.490 20 0 CBADRP C[NH+](C)CC[C@H](NC(=O)[C@H]([NH3+])CO)c1cccnc1 ZINC001342550964 889793406 /nfs/dbraw/zinc/79/34/06/889793406.db2.gz MOZHPFCNBAXCOP-NEPJUHHUSA-N 2 0 266.345 -0.490 20 0 CBADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC1CC1 ZINC001444034491 912334900 /nfs/dbraw/zinc/33/49/00/912334900.db2.gz HLIFTRCFHGUPKN-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP [NH3+]CCCC(=O)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001342557360 889792159 /nfs/dbraw/zinc/79/21/59/889792159.db2.gz WYESCWBRBRXBRZ-ZDUSSCGKSA-N 2 0 263.345 -0.278 20 0 CBADRP CN[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)c1cnn(C)c1 ZINC001342650824 889809750 /nfs/dbraw/zinc/80/97/50/889809750.db2.gz UYQFSTZYMLILOL-WCQGTBRESA-N 2 0 265.361 -0.111 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CC23CCOCC3)C[C@H]1[NH3+] ZINC001342757878 889823525 /nfs/dbraw/zinc/82/35/25/889823525.db2.gz QLQQOMVHRLQTJP-GMTAPVOTSA-N 2 0 253.346 -0.439 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001343394438 889899813 /nfs/dbraw/zinc/89/98/13/889899813.db2.gz ZEMBQFDNPNOUBB-YPMHNXCESA-N 2 0 255.362 -0.441 20 0 CBADRP C[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1)[N@H+](C)C1CC1 ZINC001343419218 889902532 /nfs/dbraw/zinc/90/25/32/889902532.db2.gz CJYBCJZWFHCOCE-SUZMYJTESA-N 2 0 255.362 -0.302 20 0 CBADRP C[NH+]1CCC(CNC(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001343407751 889903489 /nfs/dbraw/zinc/90/34/89/889903489.db2.gz KYAAGDPIQWVTKA-CQSZACIVSA-N 2 0 269.389 -0.051 20 0 CBADRP C[C@]1(C(=O)NCC2(C)CC[NH2+]CC2)C[C@@H](O)C[NH2+]1 ZINC001343466083 889916283 /nfs/dbraw/zinc/91/62/83/889916283.db2.gz CNCVSFPGYVHQKG-ZWNOBZJWSA-N 2 0 255.362 -0.395 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccn2)CCO1 ZINC001343467452 889916355 /nfs/dbraw/zinc/91/63/55/889916355.db2.gz NLHMGZNEMJYKFA-NWDGAFQWSA-N 2 0 264.329 -0.863 20 0 CBADRP [NH3+]CCCN(Cc1ccccc1)C(=O)[C@H]([NH3+])CO ZINC001343485210 889919326 /nfs/dbraw/zinc/91/93/26/889919326.db2.gz CCBOYVWPRSSYJI-GFCCVEGCSA-N 2 0 251.330 -0.316 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001343699734 889950436 /nfs/dbraw/zinc/95/04/36/889950436.db2.gz FNPWTVOKGLJKKL-GIPNMCIBSA-N 2 0 255.362 -0.267 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1cnnn1C ZINC001444374238 912434246 /nfs/dbraw/zinc/43/42/46/912434246.db2.gz CIYOHCXXPMKZNV-LLVKDONJSA-N 2 0 282.392 -0.391 20 0 CBADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C[NH2+]CC(N)=O ZINC001444377282 912438804 /nfs/dbraw/zinc/43/88/04/912438804.db2.gz OZUZHSVNRSCUNF-GHMZBOCLSA-N 2 0 270.377 -0.845 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001444429461 912446649 /nfs/dbraw/zinc/44/66/49/912446649.db2.gz CKUOPZFWTWDKNA-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001344387481 890019094 /nfs/dbraw/zinc/01/90/94/890019094.db2.gz PEEITDNJLQAHGO-LBPRGKRZSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](O)C[NH2+]1 ZINC001344447310 890024811 /nfs/dbraw/zinc/02/48/11/890024811.db2.gz FJKSLOOGEFVDHW-XJBAAKRRSA-N 2 0 267.373 -0.254 20 0 CBADRP C[C@]1(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C[C@H](O)C[NH2+]1 ZINC001344422440 890026296 /nfs/dbraw/zinc/02/62/96/890026296.db2.gz UCTNSGBLKYNXOH-COPLHBTASA-N 2 0 269.389 -0.006 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC ZINC001444711907 912494838 /nfs/dbraw/zinc/49/48/38/912494838.db2.gz RWKOPCOJTMCVQC-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP [NH3+]CC1CC([NH2+]CC[C@@H]2CNCCS2(=O)=O)C1 ZINC001345159303 890105079 /nfs/dbraw/zinc/10/50/79/890105079.db2.gz FSZUQNRVUNDPIJ-VQXHTEKXSA-N 2 0 261.391 -0.910 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC(N)=O ZINC001444796043 912504904 /nfs/dbraw/zinc/50/49/04/912504904.db2.gz ZEEBXQDXGGQHRE-GHMZBOCLSA-N 2 0 270.377 -0.750 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC001345578217 890142146 /nfs/dbraw/zinc/14/21/46/890142146.db2.gz SLQOMYPDBURVQA-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)c2ccn(CCC[NH3+])n2)C1 ZINC001346057576 890208299 /nfs/dbraw/zinc/20/82/99/890208299.db2.gz PRONYLUWTYSZOE-JTQLQIEISA-N 2 0 251.334 -0.334 20 0 CBADRP Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001445145537 912577087 /nfs/dbraw/zinc/57/70/87/912577087.db2.gz CSERSWFSFJFCIE-AAEUAGOBSA-N 2 0 296.371 -0.356 20 0 CBADRP C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001346228504 890241803 /nfs/dbraw/zinc/24/18/03/890241803.db2.gz KCGQSCPQNMIFFW-UHTWSYAYSA-N 2 0 268.405 -0.136 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(C)no1)[NH+](C)C ZINC001445214297 912602079 /nfs/dbraw/zinc/60/20/79/912602079.db2.gz SCDQWNZSFWCTMF-WCQYABFASA-N 2 0 298.387 -0.110 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)cn1 ZINC001445221033 912603814 /nfs/dbraw/zinc/60/38/14/912603814.db2.gz AGEZCQJRGRSLPY-CYBMUJFWSA-N 2 0 298.362 -0.261 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001346430957 890292452 /nfs/dbraw/zinc/29/24/52/890292452.db2.gz UOZJJLWVSOXXQW-UTUOFQBUSA-N 2 0 255.362 -0.144 20 0 CBADRP [NH3+]C1CCC(NC(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001346479108 890300300 /nfs/dbraw/zinc/30/03/00/890300300.db2.gz PKZYIMAFSYZHNQ-UHFFFAOYSA-N 2 0 269.393 -0.539 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)C[N@H+](C)C(C)C ZINC001445335730 912636773 /nfs/dbraw/zinc/63/67/73/912636773.db2.gz UZAUWSXDCYOYQX-GFCCVEGCSA-N 2 0 286.420 -0.101 20 0 CBADRP CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001445330083 912638831 /nfs/dbraw/zinc/63/88/31/912638831.db2.gz YCPHNJOPRBQQKM-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001445386941 912651776 /nfs/dbraw/zinc/65/17/76/912651776.db2.gz VDRLNZPDCOEMID-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001445394937 912655556 /nfs/dbraw/zinc/65/55/56/912655556.db2.gz ODQVDEOHXXELCU-VXGBXAGGSA-N 2 0 296.415 -0.170 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001445396492 912656942 /nfs/dbraw/zinc/65/69/42/912656942.db2.gz BIJWWOTYFVBIMW-VWYCJHECSA-N 2 0 272.393 -0.459 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001445550702 912698257 /nfs/dbraw/zinc/69/82/57/912698257.db2.gz ZBORGTHJQNJRQI-YNEHKIRRSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445648617 912726222 /nfs/dbraw/zinc/72/62/22/912726222.db2.gz OITVJQAQKJBQPK-QWRGUYRKSA-N 2 0 280.376 -0.639 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001446153016 912824121 /nfs/dbraw/zinc/82/41/21/912824121.db2.gz DUOFKAYCZFBGOR-MNOVXSKESA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)[C@@H]1C[NH3+] ZINC000911825268 884597034 /nfs/dbraw/zinc/59/70/34/884597034.db2.gz NTOJPQKFXHCXFC-JHJVBQTASA-N 2 0 296.415 -0.231 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC000911825478 884597063 /nfs/dbraw/zinc/59/70/63/884597063.db2.gz HRBYQOKWUPJDIL-JTQLQIEISA-N 2 0 268.361 -0.016 20 0 CBADRP O=C(NC[C@@H]1CC[N@@H+](CCO)C1)[C@@]12CC[NH+](C1)CCC2 ZINC001028956236 884616742 /nfs/dbraw/zinc/61/67/42/884616742.db2.gz AREUABPZYVUADO-ZFWWWQNUSA-N 2 0 281.400 -0.097 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001091100318 884648685 /nfs/dbraw/zinc/64/86/85/884648685.db2.gz PQTGOENBHYRSRP-HTAVTVPLSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH+](C)[C@@H]1C[C@H](CNC(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC001118399754 884657440 /nfs/dbraw/zinc/65/74/40/884657440.db2.gz GILPESJZQNSNJK-BJHJDKERSA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001188158234 884720303 /nfs/dbraw/zinc/72/03/03/884720303.db2.gz ISGQVJBKYGKZDB-OLZOCXBDSA-N 2 0 296.415 -0.204 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001210810677 884765365 /nfs/dbraw/zinc/76/53/65/884765365.db2.gz CKOIEHINGFSTPD-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CCOC(=O)[C@H]1C[NH2+]CCN1CC1(F)CC[NH2+]CC1 ZINC001211354233 884770472 /nfs/dbraw/zinc/77/04/72/884770472.db2.gz LRELBOMRMXPMTE-LLVKDONJSA-N 2 0 273.352 -0.085 20 0 CBADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212430441 884775644 /nfs/dbraw/zinc/77/56/44/884775644.db2.gz NNHLXKJNVDWOIY-BFHYXJOUSA-N 2 0 299.415 -0.332 20 0 CBADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1CC[NH2+]1 ZINC001219794389 884792175 /nfs/dbraw/zinc/79/21/75/884792175.db2.gz YIVXDUKYCGKORZ-ZDUSSCGKSA-N 3 0 266.389 -0.319 20 0 CBADRP C[NH+](C)CCNC(=O)c1cn(CCCC[NH3+])nn1 ZINC001326030166 884877951 /nfs/dbraw/zinc/87/79/51/884877951.db2.gz HUYZSCZUNGIDEA-UHFFFAOYSA-N 2 0 254.338 -0.692 20 0 CBADRP C[C@H](C[NH3+])NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001326057278 884890467 /nfs/dbraw/zinc/89/04/67/884890467.db2.gz IIETXWKIALRMPH-MRVPVSSYSA-N 2 0 252.322 -0.720 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001326152231 884922978 /nfs/dbraw/zinc/92/29/78/884922978.db2.gz YIBMROSFCZKMKP-SECBINFHSA-N 2 0 266.349 -0.330 20 0 CBADRP CN(C(=O)c1cn(CCC[NH3+])nn1)[C@H](C[NH3+])C1CC1 ZINC001326166244 884931802 /nfs/dbraw/zinc/93/18/02/884931802.db2.gz GLSWJJISSIQLJS-LLVKDONJSA-N 2 0 266.349 -0.564 20 0 CBADRP CC(C)C[NH2+]CC(=O)NCCCN1CC[NH2+]CC1 ZINC001326260651 884962524 /nfs/dbraw/zinc/96/25/24/884962524.db2.gz PJLXPBZAOGQDID-UHFFFAOYSA-N 2 0 256.394 -0.357 20 0 CBADRP C[C@@H]1CCCN(CC(=O)N2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC001326275872 884966201 /nfs/dbraw/zinc/96/62/01/884966201.db2.gz NVXXUTUKNUHPEY-VXGBXAGGSA-N 2 0 254.378 -0.523 20 0 CBADRP CCN(C)C(=O)CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001326277435 884968450 /nfs/dbraw/zinc/96/84/50/884968450.db2.gz MEJIBDDLJVEBOO-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP C[C@@]1(C2CC[NH+](CCOCC[NH3+])CC2)NC(=O)NC1=O ZINC001326278482 884969350 /nfs/dbraw/zinc/96/93/50/884969350.db2.gz XSYLRROQKNAIHI-ZDUSSCGKSA-N 2 0 284.360 -0.728 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@H]1C[NH2+]CCO1)C1CCCCC1 ZINC001326292805 884974062 /nfs/dbraw/zinc/97/40/62/884974062.db2.gz LBPMGWOVISNOLV-NEPJUHHUSA-N 2 0 255.362 -0.001 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001326299664 884978114 /nfs/dbraw/zinc/97/81/14/884978114.db2.gz TXTGHVXYDFMMLS-AXFHLTTASA-N 2 0 269.345 -0.380 20 0 CBADRP CC(=O)N1CCN(C(=O)CNCC2([NH3+])CCC2)CC1 ZINC001326309774 884979389 /nfs/dbraw/zinc/97/93/89/884979389.db2.gz QFTBHJCVYNXXHZ-UHFFFAOYSA-N 2 0 268.361 -0.852 20 0 CBADRP [NH3+]CC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001326340101 884998584 /nfs/dbraw/zinc/99/85/84/884998584.db2.gz UVIMXPHWSIFPPF-UHFFFAOYSA-N 2 0 296.415 -0.214 20 0 CBADRP C[C@H]([NH3+])C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001326370027 885009407 /nfs/dbraw/zinc/00/94/07/885009407.db2.gz LHYQELOTGIFXAP-WDEREUQCSA-N 2 0 254.378 -0.382 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC001326375122 885012205 /nfs/dbraw/zinc/01/22/05/885012205.db2.gz GYUGMZTYYOAGSD-RKDXNWHRSA-N 2 0 263.345 -0.135 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001446440369 912887547 /nfs/dbraw/zinc/88/75/47/912887547.db2.gz ZRVHNMLRRQCPOF-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCCN1CC(=O)N1CC[NH2+]CC1 ZINC001326583354 885073269 /nfs/dbraw/zinc/07/32/69/885073269.db2.gz ZHGGISLKGIMJHS-NWDGAFQWSA-N 2 0 254.378 -0.380 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC001326582789 885075081 /nfs/dbraw/zinc/07/50/81/885075081.db2.gz QUVYWXBZRKNIJS-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP [NH3+]CCOc1ccc(NCC(=O)N2CC[NH2+]CC2)cc1 ZINC001326582959 885075214 /nfs/dbraw/zinc/07/52/14/885075214.db2.gz AEVHSXMNKQWPRS-UHFFFAOYSA-N 2 0 278.356 -0.132 20 0 CBADRP CC(C)([NH3+])c1noc(CN2CCCO[C@@H](C[NH3+])C2)n1 ZINC001326595035 885078368 /nfs/dbraw/zinc/07/83/68/885078368.db2.gz GHEUOEPXUYBPMR-VIFPVBQESA-N 2 0 269.349 -0.187 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC[C@@H]2CCOC2)CC1 ZINC001326596462 885082018 /nfs/dbraw/zinc/08/20/18/885082018.db2.gz KTHAWAGMMJWMHA-KGLIPLIRSA-N 2 0 271.405 -0.389 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC[C@H]2CCOC2)CC1 ZINC001326596461 885083193 /nfs/dbraw/zinc/08/31/93/885083193.db2.gz KTHAWAGMMJWMHA-KBPBESRZSA-N 2 0 271.405 -0.389 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC001326601749 885084496 /nfs/dbraw/zinc/08/44/96/885084496.db2.gz PCORYBVQQNRSEJ-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC(CC[NH3+])CC1 ZINC001326607110 885086416 /nfs/dbraw/zinc/08/64/16/885086416.db2.gz RGFVEFWPCBHCMU-LBPRGKRZSA-N 2 0 256.394 -0.147 20 0 CBADRP C[C@H](CNC(=O)[C@H](N)CC[NH+](C)C)N1CC[NH+](C)CC1 ZINC001326625394 885094645 /nfs/dbraw/zinc/09/46/45/885094645.db2.gz DHYQNWDIRHMNMF-CHWSQXEVSA-N 2 0 285.436 -0.983 20 0 CBADRP [NH3+]CCOCCN1CC[NH+](C2CCOCC2)CC1 ZINC001326692355 885112750 /nfs/dbraw/zinc/11/27/50/885112750.db2.gz ITZNWIBVDKLVSG-UHFFFAOYSA-N 2 0 257.378 -0.242 20 0 CBADRP [NH3+]CCOCCN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001326693755 885113073 /nfs/dbraw/zinc/11/30/73/885113073.db2.gz RGYWGANLFSOLBX-CYBMUJFWSA-N 2 0 257.378 -0.384 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001326744668 885128237 /nfs/dbraw/zinc/12/82/37/885128237.db2.gz AMTFDTSMMVHLGQ-VWYCJHECSA-N 2 0 268.361 -0.807 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC001326805989 885156320 /nfs/dbraw/zinc/15/63/20/885156320.db2.gz CYVJETGFEIUECW-ZOWXZIJZSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[C@@H]1[NH3+] ZINC001326808108 885159555 /nfs/dbraw/zinc/15/95/55/885159555.db2.gz YGXNMODRLLGNOQ-NDBYEHHHSA-N 2 0 296.415 -0.362 20 0 CBADRP [NH3+]CCOCC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001326817740 885161957 /nfs/dbraw/zinc/16/19/57/885161957.db2.gz VBTDEMLXUUYRIG-UHFFFAOYSA-N 2 0 255.362 -0.046 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc(C[NH3+])o2)CCO1 ZINC001326833835 885167753 /nfs/dbraw/zinc/16/77/53/885167753.db2.gz JDIQLDWUTZOXFB-GZMMTYOYSA-N 2 0 253.302 -0.074 20 0 CBADRP C[NH2+]CCN(C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001326833579 885168272 /nfs/dbraw/zinc/16/82/72/885168272.db2.gz AVLSZBRDKZPBHO-SNVBAGLBSA-N 2 0 266.349 -0.506 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccnc(C[NH3+])c2)CCO1 ZINC001326833741 885168306 /nfs/dbraw/zinc/16/83/06/885168306.db2.gz GPYBIUSIUYSKQL-SKDRFNHKSA-N 2 0 264.329 -0.272 20 0 CBADRP [NH3+][C@H](CC(F)F)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001326924172 885195424 /nfs/dbraw/zinc/19/54/24/885195424.db2.gz UKYRTXWNADNZPD-JGVFFNPUSA-N 2 0 251.277 -0.536 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CC23CC[NH2+]CC3)CCCO1 ZINC001326938120 885197685 /nfs/dbraw/zinc/19/76/85/885197685.db2.gz OYCJYLVTRRVOQB-VXGBXAGGSA-N 2 0 267.373 -0.048 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]CCCO)C2)CC[N@@H+]1C ZINC001326979839 885212523 /nfs/dbraw/zinc/21/25/23/885212523.db2.gz QULSUOVWAIIYFU-HZSPNIEDSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCSCCCO)CC1 ZINC001327002740 885219418 /nfs/dbraw/zinc/21/94/18/885219418.db2.gz MCOBYYHEXQZFBW-CYBMUJFWSA-N 2 0 291.461 -0.700 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001446581245 912911874 /nfs/dbraw/zinc/91/18/74/912911874.db2.gz WHEAGKFKGFPBKB-DOMZBBRYSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](CCCCO)CC1 ZINC001327054966 885235676 /nfs/dbraw/zinc/23/56/76/885235676.db2.gz WYFRXZCGRZYQHC-CQSZACIVSA-N 2 0 273.421 -0.311 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1CC[C@H]1CC[NH2+]C1 ZINC001327087979 885252184 /nfs/dbraw/zinc/25/21/84/885252184.db2.gz WAMSUYUGZPRFAQ-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH2+]CC1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1 ZINC001327087015 885254340 /nfs/dbraw/zinc/25/43/40/885254340.db2.gz JNJROVLNWSMYEE-UHFFFAOYSA-N 3 0 254.378 -0.650 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001327104313 885258783 /nfs/dbraw/zinc/25/87/83/885258783.db2.gz GQVYDWYLRQEYQV-LBPRGKRZSA-N 2 0 296.375 -0.864 20 0 CBADRP [NH3+]Cc1cc(C(=O)N2CCO[C@H](C[NH3+])C2)ccn1 ZINC001327105827 885259274 /nfs/dbraw/zinc/25/92/74/885259274.db2.gz XBQUCBBXGCDBNS-LLVKDONJSA-N 2 0 250.302 -0.660 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](N)CC[NH+](C)C ZINC001327448277 885355903 /nfs/dbraw/zinc/35/59/03/885355903.db2.gz GPFLRXOEMJVBSZ-CHWSQXEVSA-N 2 0 285.436 -0.983 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001327450827 885355951 /nfs/dbraw/zinc/35/59/51/885355951.db2.gz XSHFVAJCOMIDOA-GXTWGEPZSA-N 2 0 268.405 -0.133 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H](N)CC[NH+](C)C ZINC001327448280 885355977 /nfs/dbraw/zinc/35/59/77/885355977.db2.gz GPFLRXOEMJVBSZ-STQMWFEESA-N 2 0 285.436 -0.983 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001327471966 885368784 /nfs/dbraw/zinc/36/87/84/885368784.db2.gz PAHRZSDSFFWSOI-SRVKXCTJSA-N 2 0 280.372 -0.793 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001327503264 885376892 /nfs/dbraw/zinc/37/68/92/885376892.db2.gz KNSNMPBAEWHSSR-FRRDWIJNSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCC[NH3+])CC[N@@H+]1C ZINC001327501293 885377839 /nfs/dbraw/zinc/37/78/39/885377839.db2.gz RRGLJXNUAKAYMQ-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])CC[N@@H+]1C ZINC001327501065 885379353 /nfs/dbraw/zinc/37/93/53/885379353.db2.gz RRGLJXNUAKAYMQ-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN(C[C@@H]3C[NH2+]CCO3)CC2)C1 ZINC001327562196 885407261 /nfs/dbraw/zinc/40/72/61/885407261.db2.gz JXFBYLVKPPUMJK-CABCVRRESA-N 2 0 282.432 -0.313 20 0 CBADRP C([C@@H]1CCC2(C[NH2+]C2)O1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001327564064 885407889 /nfs/dbraw/zinc/40/78/89/885407889.db2.gz WESZHRXQGUSANW-KGLIPLIRSA-N 2 0 280.416 -0.513 20 0 CBADRP C[C@H](C[NH3+])C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001327579054 885414065 /nfs/dbraw/zinc/41/40/65/885414065.db2.gz MGEVMTRLQZRDIS-PWSUYJOCSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)CC[NH2+]C)CC1 ZINC001327579092 885414610 /nfs/dbraw/zinc/41/46/10/885414610.db2.gz NBHCHXYAEDVKIK-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001327595701 885422579 /nfs/dbraw/zinc/42/25/79/885422579.db2.gz AVLZCGFLKNNZOO-RKDXNWHRSA-N 2 0 251.334 -0.189 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)c2cn(CC[NH3+])nn2)CC[NH2+]1 ZINC001327598061 885423668 /nfs/dbraw/zinc/42/36/68/885423668.db2.gz YKYJEGXPGLCQLB-BDAKNGLRSA-N 2 0 252.322 -0.893 20 0 CBADRP NC(=O)CN1CCC[C@H](NC(=O)[C@H]2CCC[C@H]2[NH3+])C1 ZINC001327602252 885426635 /nfs/dbraw/zinc/42/66/35/885426635.db2.gz WUDINWIXFVZUCB-GARJFASQSA-N 2 0 268.361 -0.820 20 0 CBADRP C[NH+](C/C=C\C[N@H+](C)CCC(N)=O)CCC(N)=O ZINC001327618480 885432482 /nfs/dbraw/zinc/43/24/82/885432482.db2.gz CAPNHYBNJIZIEO-ARJAWSKDSA-N 2 0 256.350 -0.843 20 0 CBADRP C(N1CC[C@@H](N2CC[NH2+]CC2)C1)[C@]12C[C@H]1C[NH2+]C2 ZINC001327642419 885440087 /nfs/dbraw/zinc/44/00/87/885440087.db2.gz IFKANRIEQBTHHQ-BFHYXJOUSA-N 3 0 250.390 -0.425 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCOCCF)CC1 ZINC001327641072 885440140 /nfs/dbraw/zinc/44/01/40/885440140.db2.gz OKYDTANSJOFANG-LBPRGKRZSA-N 2 0 263.357 -0.830 20 0 CBADRP C[NH+](C)CC1(C(=O)NC2(C[NH2+]CCO)CCOCC2)CC1 ZINC001327656473 885442227 /nfs/dbraw/zinc/44/22/27/885442227.db2.gz NPKCQQNBCNXJCX-UHFFFAOYSA-N 2 0 299.415 -0.425 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001327710868 885458511 /nfs/dbraw/zinc/45/85/11/885458511.db2.gz IZYKXTHQQUWYAZ-OLZOCXBDSA-N 2 0 257.378 -0.950 20 0 CBADRP C[NH+]1CCN(CCn2cc(CSCC[NH3+])nn2)CC1 ZINC001327781094 885473706 /nfs/dbraw/zinc/47/37/06/885473706.db2.gz FQEIXXQKCGQAPN-UHFFFAOYSA-N 2 0 284.433 -0.283 20 0 CBADRP C[C@@H](CCCC[NH3+])NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001327819224 885486202 /nfs/dbraw/zinc/48/62/02/885486202.db2.gz POOPGCHDCXFJPI-VIFPVBQESA-N 2 0 296.375 -0.042 20 0 CBADRP CN(CCC[NH3+])C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC001327862206 885505050 /nfs/dbraw/zinc/50/50/50/885505050.db2.gz BBCSNHFFMVDGCP-SECBINFHSA-N 2 0 251.334 -0.093 20 0 CBADRP [NH3+]CCn1cc(C(=O)NCCCC[NH+]2CCOCC2)nn1 ZINC001327915566 885523766 /nfs/dbraw/zinc/52/37/66/885523766.db2.gz ACPIQWXSOYOFGE-UHFFFAOYSA-N 2 0 296.375 -0.921 20 0 CBADRP [NH3+]CCOCC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001327926712 885527950 /nfs/dbraw/zinc/52/79/50/885527950.db2.gz AYXJXFYWNPZOQV-LBPRGKRZSA-N 2 0 271.361 -0.669 20 0 CBADRP C[C@@H](Cn1cncn1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC001328086397 885570047 /nfs/dbraw/zinc/57/00/47/885570047.db2.gz RRTPKWPCBHBURY-NSHDSACASA-N 2 0 253.350 -0.287 20 0 CBADRP CC[C@H](C(=O)N1CCC(O)(C[NH2+]CCO)CC1)[NH+](C)C ZINC001328206962 885602285 /nfs/dbraw/zinc/60/22/85/885602285.db2.gz FHAMBHFYFKDXFL-GFCCVEGCSA-N 2 0 287.404 -0.738 20 0 CBADRP C[NH2+]C1CCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC001328223276 885605218 /nfs/dbraw/zinc/60/52/18/885605218.db2.gz IJETUCIKPLBELO-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[C@]1(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC[NH2+]C1 ZINC001328236109 885610835 /nfs/dbraw/zinc/61/08/35/885610835.db2.gz MSGMNFFJSYQNKX-GVXVVHGQSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N[C@H](CC[NH3+])C(F)F)nn1 ZINC001328317901 885632221 /nfs/dbraw/zinc/63/22/21/885632221.db2.gz QDBXWUQEIIKEBX-MRVPVSSYSA-N 2 0 290.318 -0.271 20 0 CBADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001328333830 885638024 /nfs/dbraw/zinc/63/80/24/885638024.db2.gz YDSKOVSGZPIHCS-KCJUWKMLSA-N 2 0 261.329 -0.511 20 0 CBADRP CC1(CNC(=O)c2cn(CC[NH3+])nn2)CC[NH2+]CC1 ZINC001328340384 885641288 /nfs/dbraw/zinc/64/12/88/885641288.db2.gz ULEJYFSXQSKZQZ-UHFFFAOYSA-N 2 0 266.349 -0.644 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])CC(F)F)CCCO1 ZINC001328339711 885643107 /nfs/dbraw/zinc/64/31/07/885643107.db2.gz RRDPJNDXACDVFU-JGVFFNPUSA-N 2 0 251.277 -0.455 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)NCC[C@H]2CC[NH2+]C2)nn1 ZINC001328462644 885695273 /nfs/dbraw/zinc/69/52/73/885695273.db2.gz WRPATKHKMKQLNK-LLVKDONJSA-N 2 0 280.376 -0.254 20 0 CBADRP C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)[C@H]1CC[NH3+] ZINC001328728857 885795125 /nfs/dbraw/zinc/79/51/25/885795125.db2.gz ALAFZLHQOWZLPM-OLZOCXBDSA-N 3 0 268.405 -0.133 20 0 CBADRP C[C@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)[C@H]1CC[NH3+] ZINC001328728859 885795271 /nfs/dbraw/zinc/79/52/71/885795271.db2.gz ALAFZLHQOWZLPM-STQMWFEESA-N 3 0 268.405 -0.133 20 0 CBADRP CC(C)(C)[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC001328789494 885813640 /nfs/dbraw/zinc/81/36/40/885813640.db2.gz RKHXIXULIRWLFW-UHFFFAOYSA-N 2 0 251.338 -0.044 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H](N)CC[NH+](C)C ZINC001328842073 885829567 /nfs/dbraw/zinc/82/95/67/885829567.db2.gz RGJSBHSYWYPLTD-GARJFASQSA-N 2 0 260.357 -0.576 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001446942054 912981233 /nfs/dbraw/zinc/98/12/33/912981233.db2.gz ODTRGIAACPYKLY-RYUDHWBXSA-N 2 0 284.404 -0.502 20 0 CBADRP C[C@H]([NH2+]CCO)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001446937360 912983526 /nfs/dbraw/zinc/98/35/26/912983526.db2.gz CSDFJSUNDOSEAH-STQMWFEESA-N 2 0 281.400 -0.099 20 0 CBADRP [NH3+]CC1(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCOCC1 ZINC001329056023 885907683 /nfs/dbraw/zinc/90/76/83/885907683.db2.gz ROZJGZRBGDAVBN-MYJAWHEDSA-N 2 0 254.334 -0.989 20 0 CBADRP c1c(CCN2CC[NH2+]CC2)nnn1C1CC[NH2+]CC1 ZINC001329316640 886011307 /nfs/dbraw/zinc/01/13/07/886011307.db2.gz VKWTVQFPHCGOKP-UHFFFAOYSA-N 2 0 264.377 -0.350 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)nn1 ZINC001329367898 886034095 /nfs/dbraw/zinc/03/40/95/886034095.db2.gz DLXRINVTEDKPIU-QWRGUYRKSA-N 2 0 280.376 -0.126 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(O)(C[NH3+])CC1 ZINC001329389481 886046524 /nfs/dbraw/zinc/04/65/24/886046524.db2.gz SJYGPQFLPNPNOG-MNOVXSKESA-N 2 0 255.362 -0.313 20 0 CBADRP C[NH2+][C@@H](C)Cc1noc(-c2cn(CCC[NH3+])nn2)n1 ZINC001329413696 886054341 /nfs/dbraw/zinc/05/43/41/886054341.db2.gz IBZUDALKCHNAJX-QMMMGPOBSA-N 2 0 265.321 -0.173 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001329437131 886066324 /nfs/dbraw/zinc/06/63/24/886066324.db2.gz HUAATYJFDHSHPZ-JTQLQIEISA-N 2 0 282.388 -0.465 20 0 CBADRP COC1(C(=O)NC[C@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC001329485095 886089383 /nfs/dbraw/zinc/08/93/83/886089383.db2.gz XNLWJRHPDIQLJD-NSHDSACASA-N 2 0 255.362 -0.129 20 0 CBADRP COC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001329497955 886096893 /nfs/dbraw/zinc/09/68/93/886096893.db2.gz AMNZGZIERGQAJL-NSHDSACASA-N 2 0 269.345 -0.554 20 0 CBADRP COC1(C(=O)NCC2=CC[NH2+]CC2)CC[NH2+]CC1 ZINC001329562981 886121560 /nfs/dbraw/zinc/12/15/60/886121560.db2.gz ZVJOAXBVZXGOGM-UHFFFAOYSA-N 2 0 253.346 -0.209 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)C[NH3+] ZINC001329569937 886128971 /nfs/dbraw/zinc/12/89/71/886128971.db2.gz PUGMGCCYLMLIEU-NXEZZACHSA-N 2 0 256.350 -0.950 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC001329651443 886160939 /nfs/dbraw/zinc/16/09/39/886160939.db2.gz JFFPEZCEFREQKM-SRRSOLGSSA-N 2 0 253.346 -0.392 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](CNC(C)=O)C1 ZINC001329675967 886170046 /nfs/dbraw/zinc/17/00/46/886170046.db2.gz UEIXLPVMGZZYKP-CHWSQXEVSA-N 2 0 257.378 -0.195 20 0 CBADRP CCN1CC(CCO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001329707521 886181914 /nfs/dbraw/zinc/18/19/14/886181914.db2.gz JAANMGVHWBRWIU-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCC[C@@H]2O)CC1 ZINC001329702915 886182671 /nfs/dbraw/zinc/18/26/71/886182671.db2.gz UFSPIZGVYIAFIB-AVGNSLFASA-N 2 0 257.378 -0.902 20 0 CBADRP CN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001329747187 886193796 /nfs/dbraw/zinc/19/37/96/886193796.db2.gz UEOGMLUVESHMRP-WFASDCNBSA-N 2 0 294.399 -0.652 20 0 CBADRP CNS(=O)(=O)CCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC001329802037 886210693 /nfs/dbraw/zinc/21/06/93/886210693.db2.gz YYUCFYKKIQGZSF-GMTAPVOTSA-N 2 0 279.406 -0.732 20 0 CBADRP CC[C@H]1CN(C(=O)c2cn(CC[NH3+])nn2)CC[C@H]1[NH3+] ZINC001329923834 886278908 /nfs/dbraw/zinc/27/89/08/886278908.db2.gz LLZJVOFYURJDOM-VHSXEESVSA-N 2 0 266.349 -0.564 20 0 CBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC001329936547 886287124 /nfs/dbraw/zinc/28/71/24/886287124.db2.gz IGIBTCBFWZXNAH-GHMZBOCLSA-N 2 0 253.346 -0.295 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001330024308 886330606 /nfs/dbraw/zinc/33/06/06/886330606.db2.gz PAHRZSDSFFWSOI-TUAOUCFPSA-N 2 0 280.372 -0.793 20 0 CBADRP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](C[C@H](C)O)C1 ZINC001330049225 886337120 /nfs/dbraw/zinc/33/71/20/886337120.db2.gz UGUDLKUKJSEYQL-WDEREUQCSA-N 2 0 257.378 -0.245 20 0 CBADRP C[C@@H](O)C[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001330049222 886338695 /nfs/dbraw/zinc/33/86/95/886338695.db2.gz UGUDLKUKJSEYQL-MNOVXSKESA-N 2 0 257.378 -0.245 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001330518730 886465826 /nfs/dbraw/zinc/46/58/26/886465826.db2.gz FEKPSVREDCQEJU-SSDOTTSWSA-N 2 0 268.321 -0.871 20 0 CBADRP C[NH+](C)CCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001330519639 886468159 /nfs/dbraw/zinc/46/81/59/886468159.db2.gz MBEXKZPVCUGQDT-UHFFFAOYSA-N 2 0 268.321 -0.998 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH2+]C)C1 ZINC001330528721 886470697 /nfs/dbraw/zinc/47/06/97/886470697.db2.gz NWWHMKYGUMKZPK-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001330532938 886473325 /nfs/dbraw/zinc/47/33/25/886473325.db2.gz VOSANWLZYCTIFB-PHIMTYICSA-N 2 0 270.377 -0.750 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC([NH3+])CC3)CC[C@H]21 ZINC001330568313 886484922 /nfs/dbraw/zinc/48/49/22/886484922.db2.gz SLXFYEDYCWRUSF-WCQYABFASA-N 2 0 294.399 -0.511 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC001330578170 886487456 /nfs/dbraw/zinc/48/74/56/886487456.db2.gz LQTQQNGQQLLGOL-ZYHUDNBSSA-N 2 0 259.350 -0.894 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N(C)CCC[NH3+] ZINC001330594481 886492817 /nfs/dbraw/zinc/49/28/17/886492817.db2.gz KZLGXLBAFARMJX-RYUDHWBXSA-N 2 0 284.404 -0.408 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N(C)CCC[NH3+] ZINC001330594479 886493218 /nfs/dbraw/zinc/49/32/18/886493218.db2.gz KZLGXLBAFARMJX-NEPJUHHUSA-N 2 0 284.404 -0.408 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001330600570 886496493 /nfs/dbraw/zinc/49/64/93/886496493.db2.gz CKKGIILNVYEZGN-VIFPVBQESA-N 2 0 266.349 -0.460 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC001330603261 886497908 /nfs/dbraw/zinc/49/79/08/886497908.db2.gz RVCAEIQIWUQIBU-WCBMZHEXSA-N 2 0 251.334 -0.264 20 0 CBADRP C[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001330624529 886508762 /nfs/dbraw/zinc/50/87/62/886508762.db2.gz CRFWCWRXSIWRMB-KOLCDFICSA-N 2 0 268.361 -0.855 20 0 CBADRP CC(C)C[NH2+]CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001330626765 886511777 /nfs/dbraw/zinc/51/17/77/886511777.db2.gz RPKVBLOOZXLKON-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3=NO[C@H](C[NH3+])C3)CC[C@H]21 ZINC001330641125 886513865 /nfs/dbraw/zinc/51/38/65/886513865.db2.gz PTHQVCLYHGJBDX-JFGNBEQYSA-N 2 0 266.345 -0.357 20 0 CBADRP CC1CC[NH+](CC(=O)N(C)CCC[N@H+](C)CC(N)=O)CC1 ZINC001447364274 913060311 /nfs/dbraw/zinc/06/03/11/913060311.db2.gz GQLISQIYRSMJAE-UHFFFAOYSA-N 2 0 298.431 -0.016 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001330870094 886607429 /nfs/dbraw/zinc/60/74/29/886607429.db2.gz JVFKJFFLPDZYRP-TUAOUCFPSA-N 2 0 282.388 -0.417 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001330880166 886613480 /nfs/dbraw/zinc/61/34/80/886613480.db2.gz PRFATFZXVASAHE-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCC1 ZINC001331141204 886692603 /nfs/dbraw/zinc/69/26/03/886692603.db2.gz QNXRPJCGJTZJAX-PHIMTYICSA-N 2 0 282.388 -0.560 20 0 CBADRP CN1CCN(C(=O)C(=O)NCCCC[NH3+])CC1(C)C ZINC001331155896 886698720 /nfs/dbraw/zinc/69/87/20/886698720.db2.gz RSFQTVBNSGPCID-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001331162875 886700354 /nfs/dbraw/zinc/70/03/54/886700354.db2.gz WWUBVNQDRBXQPB-CYBMUJFWSA-N 2 0 294.399 -0.321 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C)C(C)(C)C1 ZINC001331192412 886722323 /nfs/dbraw/zinc/72/23/23/886722323.db2.gz NJNJBVFIKKVWBJ-NSHDSACASA-N 2 0 284.404 -0.489 20 0 CBADRP CCC1([NH2+]CC(N)=O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001447424719 913075400 /nfs/dbraw/zinc/07/54/00/913075400.db2.gz ONBRAOVOUIKCLL-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H](C[NH2+]CCO)C1CC1 ZINC001331271799 886761601 /nfs/dbraw/zinc/76/16/01/886761601.db2.gz YKSMTCNTYQRLQD-CHWSQXEVSA-N 2 0 269.389 -0.101 20 0 CBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331669539 886898543 /nfs/dbraw/zinc/89/85/43/886898543.db2.gz SCQLFMARPWASNI-HAQNSBGRSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CCO1 ZINC001331690830 886912204 /nfs/dbraw/zinc/91/22/04/886912204.db2.gz WUSRLMUFAYESNL-NAKRPEOUSA-N 2 0 259.325 -0.491 20 0 CBADRP C[C@@H]1CCN(C(=O)c2cnc(C[NH3+])nc2)C[C@@H]1C[NH3+] ZINC001331706642 886921668 /nfs/dbraw/zinc/92/16/68/886921668.db2.gz HSFPPAUQKGWGES-ZJUUUORDSA-N 2 0 263.345 -0.008 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)CN2CC[NH2+]CC2)CC1 ZINC001331707298 886923296 /nfs/dbraw/zinc/92/32/96/886923296.db2.gz LOXDUCRYNXCOMU-UHFFFAOYSA-N 2 0 297.447 -0.965 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC2CC2)CC[N@@H+]1C ZINC001331710436 886927116 /nfs/dbraw/zinc/92/71/16/886927116.db2.gz AMUBDWLWBQIYLZ-KGYLQXTDSA-N 2 0 269.389 -0.197 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NCCC1(C[NH3+])CC1 ZINC001331713034 886930979 /nfs/dbraw/zinc/93/09/79/886930979.db2.gz RTIOXTUUOPOXLW-UHFFFAOYSA-N 2 0 251.334 -0.262 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1cnnn1C ZINC001447547055 913097026 /nfs/dbraw/zinc/09/70/26/913097026.db2.gz TUCIRSWUNVTSPY-YPMHNXCESA-N 2 0 294.403 -0.297 20 0 CBADRP CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001331741223 886948229 /nfs/dbraw/zinc/94/82/29/886948229.db2.gz UEOPAYIRNDQOCE-NWDGAFQWSA-N 2 0 257.378 -0.053 20 0 CBADRP CC(C)[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001331773300 886971077 /nfs/dbraw/zinc/97/10/77/886971077.db2.gz DVKILNGSWKUBQW-GFCCVEGCSA-N 2 0 257.378 -0.197 20 0 CBADRP [NH3+]C1(CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)CCOCC1 ZINC001331852826 887016891 /nfs/dbraw/zinc/01/68/91/887016891.db2.gz YKQWRNXVWAGSCP-CHWSQXEVSA-N 2 0 269.389 -0.149 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2ccccn2)CC1 ZINC001331962117 887063713 /nfs/dbraw/zinc/06/37/13/887063713.db2.gz ANZLUWSXLZRXHA-OAHLLOKOSA-N 2 0 278.400 -0.178 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001331967770 887068164 /nfs/dbraw/zinc/06/81/64/887068164.db2.gz CCEZVRLFAITONJ-SRVKXCTJSA-N 2 0 255.362 -0.097 20 0 CBADRP C[C@@H](O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001447736247 913110653 /nfs/dbraw/zinc/11/06/53/913110653.db2.gz BFLRTSGOILNIGF-CHWSQXEVSA-N 2 0 299.415 -0.738 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CC[NH+](C)C ZINC001332027409 887088950 /nfs/dbraw/zinc/08/89/50/887088950.db2.gz MJTARAPFBLEJIC-UWVGGRQHSA-N 2 0 256.350 -0.998 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC001332155761 887134936 /nfs/dbraw/zinc/13/49/36/887134936.db2.gz DLFMUVHNZDAAGL-WPRPVWTQSA-N 2 0 257.334 -0.537 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC([NH+](C)C)CC1 ZINC001332068435 887099499 /nfs/dbraw/zinc/09/94/99/887099499.db2.gz CWTYRURMAFTBGX-JTQLQIEISA-N 2 0 257.334 -0.571 20 0 CBADRP CCC1([NH3+])CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC001332067676 887099775 /nfs/dbraw/zinc/09/97/75/887099775.db2.gz CWPDXPXYVQNQBN-NSHDSACASA-N 2 0 256.394 -0.005 20 0 CBADRP C[NH2+]CCC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001332094754 887108204 /nfs/dbraw/zinc/10/82/04/887108204.db2.gz VCJDMRAUMZDFLS-UHFFFAOYSA-N 2 0 256.394 -0.260 20 0 CBADRP C[NH2+]CC1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC001332158038 887134516 /nfs/dbraw/zinc/13/45/16/887134516.db2.gz QMZDYOYWARLPBT-GFCCVEGCSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC001332158049 887134576 /nfs/dbraw/zinc/13/45/76/887134576.db2.gz QPCIMAWACAMLPL-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCC2C[NH2+]C2)C1(C)C ZINC001332178631 887142680 /nfs/dbraw/zinc/14/26/80/887142680.db2.gz FIXPOKPDVDNOOD-ZWNOBZJWSA-N 2 0 255.362 -0.146 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC001332175239 887143101 /nfs/dbraw/zinc/14/31/01/887143101.db2.gz ZJMRUMBAQWPUCQ-NWDGAFQWSA-N 2 0 263.345 -0.019 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N[C@H](C[NH3+])C2CC2)nn1 ZINC001332174194 887143397 /nfs/dbraw/zinc/14/33/97/887143397.db2.gz SHCHDKQFQXTKOV-SNVBAGLBSA-N 2 0 266.349 -0.516 20 0 CBADRP CC[C@@H]1COCCN1CCNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001332239644 887167741 /nfs/dbraw/zinc/16/77/41/887167741.db2.gz VVWGHVUBBHOXGK-QNWHQSFQSA-N 2 0 267.373 -0.179 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001332282743 887184113 /nfs/dbraw/zinc/18/41/13/887184113.db2.gz VFODJXPBWPSIRK-KBPBESRZSA-N 2 0 299.415 -0.033 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001332288869 887187701 /nfs/dbraw/zinc/18/77/01/887187701.db2.gz USRUFOOIPNFGMT-YVECIDJPSA-N 2 0 294.399 -0.417 20 0 CBADRP [NH3+]CC(C[NH3+])NC[C@@H](O)COc1ccc(F)cc1 ZINC001332334946 887206593 /nfs/dbraw/zinc/20/65/93/887206593.db2.gz POUBUTQJTXUSJT-LLVKDONJSA-N 2 0 257.309 -0.559 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H](O)Cn1cccn1 ZINC001332335303 887211162 /nfs/dbraw/zinc/21/11/62/887211162.db2.gz TYAIZKJCTHHFNM-CYBMUJFWSA-N 2 0 267.377 -0.919 20 0 CBADRP [NH3+]CC(C[NH3+])NC[C@H](O)COc1ccc(F)cc1 ZINC001332334948 887211649 /nfs/dbraw/zinc/21/16/49/887211649.db2.gz POUBUTQJTXUSJT-NSHDSACASA-N 2 0 257.309 -0.559 20 0 CBADRP CC1([NH3+])CC[NH+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC001332358796 887224387 /nfs/dbraw/zinc/22/43/87/887224387.db2.gz LMFWLROWIONIAT-LBPRGKRZSA-N 3 0 268.405 -0.003 20 0 CBADRP CC1([NH3+])CC[NH+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC001332358794 887226134 /nfs/dbraw/zinc/22/61/34/887226134.db2.gz LMFWLROWIONIAT-GFCCVEGCSA-N 3 0 268.405 -0.003 20 0 CBADRP CNC(=O)C1([NH2+]C[C@H]2CCC[NH2+]C2)CCOCC1 ZINC001332364010 887228142 /nfs/dbraw/zinc/22/81/42/887228142.db2.gz CRJNKVWJAMEFSE-NSHDSACASA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)C1C[NH2+]C1 ZINC001332395209 887256171 /nfs/dbraw/zinc/25/61/71/887256171.db2.gz GCKHIMSQNADJQS-CABZTGNLSA-N 2 0 255.318 -0.595 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001332432078 887280186 /nfs/dbraw/zinc/28/01/86/887280186.db2.gz REHUISFVAOTRFU-VIFPVBQESA-N 2 0 266.349 -0.473 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CCCO1 ZINC001332435691 887280671 /nfs/dbraw/zinc/28/06/71/887280671.db2.gz KBSMJBOFHPNBIG-NTZNESFSSA-N 2 0 253.346 -0.438 20 0 CBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cn(CCC[NH3+])nn1 ZINC001332452447 887287439 /nfs/dbraw/zinc/28/74/39/887287439.db2.gz WQELPSQDYYBGNQ-BDAKNGLRSA-N 2 0 254.338 -0.518 20 0 CBADRP CC(C)=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001332487255 887312157 /nfs/dbraw/zinc/31/21/57/887312157.db2.gz GBFKZHKKIIXIQW-KGLIPLIRSA-N 2 0 299.415 -0.308 20 0 CBADRP CNC(=O)C[NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001447823146 913134504 /nfs/dbraw/zinc/13/45/04/913134504.db2.gz VHOYDTYQPXLJAM-UHFFFAOYSA-N 2 0 294.399 -0.687 20 0 CBADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC001332555332 887351927 /nfs/dbraw/zinc/35/19/27/887351927.db2.gz ITPRDAIRAJOIJU-OBPIAQAESA-N 2 0 267.373 -0.003 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC001332722056 887417929 /nfs/dbraw/zinc/41/79/29/887417929.db2.gz CUXYGUBUUUGANX-RYUDHWBXSA-N 2 0 256.394 -0.277 20 0 CBADRP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001332815457 887438093 /nfs/dbraw/zinc/43/80/93/887438093.db2.gz IKQYMDVYTSDFPQ-UONOGXRCSA-N 3 0 280.416 -0.656 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001447860947 913150274 /nfs/dbraw/zinc/15/02/74/913150274.db2.gz BXYFXGMZJHOKQQ-QWRGUYRKSA-N 2 0 284.404 -0.301 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC001332946088 887484986 /nfs/dbraw/zinc/48/49/86/887484986.db2.gz SRJLMWPBJWRFOK-UPJWGTAASA-N 2 0 296.415 -0.360 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001332975780 887492221 /nfs/dbraw/zinc/49/22/21/887492221.db2.gz KVASJLOYNIZKTM-XYZCENFISA-N 2 0 261.391 -0.789 20 0 CBADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]CCOCCO)C1 ZINC001333154779 887542680 /nfs/dbraw/zinc/54/26/80/887542680.db2.gz VTHCAIPSBSJAIZ-HSBZDZAISA-N 2 0 299.415 -0.474 20 0 CBADRP NC(=O)C[N@H+](CC1CC[NH2+]CC1)C1CCOCC1 ZINC001333162202 887545272 /nfs/dbraw/zinc/54/52/72/887545272.db2.gz YATWWHFBHHUVMQ-UHFFFAOYSA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC001333161725 887546051 /nfs/dbraw/zinc/54/60/51/887546051.db2.gz RZBDVCXKLJQBBQ-XQQFMLRXSA-N 2 0 255.362 -0.633 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001333179013 887554859 /nfs/dbraw/zinc/55/48/59/887554859.db2.gz QBJDFORCYTVBOW-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001333180169 887556214 /nfs/dbraw/zinc/55/62/14/887556214.db2.gz YHBGNJOMXNBMLS-TUAOUCFPSA-N 2 0 282.388 -0.417 20 0 CBADRP C[NH+](C)CC1CN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC001333286219 887586823 /nfs/dbraw/zinc/58/68/23/887586823.db2.gz VKYHCSFXLDYECJ-CQSZACIVSA-N 2 0 269.389 -0.147 20 0 CBADRP C[NH+](C)CC1CN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC001333286218 887587045 /nfs/dbraw/zinc/58/70/45/887587045.db2.gz VKYHCSFXLDYECJ-AWEZNQCLSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001447908203 913161255 /nfs/dbraw/zinc/16/12/55/913161255.db2.gz SRRWIHBQYWZCNK-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CCC[NH2+]CCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001333336541 887602569 /nfs/dbraw/zinc/60/25/69/887602569.db2.gz ORIPQBZWIJHPGA-GOSISDBHSA-N 2 0 275.418 -0.397 20 0 CBADRP C[C@@H]1CCN(C(=O)c2c(C[NH3+])cnn2C)C[C@@H]1C[NH3+] ZINC001333338890 887603128 /nfs/dbraw/zinc/60/31/28/887603128.db2.gz TXBLNFMFPYMQLL-KOLCDFICSA-N 2 0 265.361 -0.064 20 0 CBADRP [NH3+]CCCOCCNC(=O)COC1CC[NH2+]CC1 ZINC001333353432 887607272 /nfs/dbraw/zinc/60/72/72/887607272.db2.gz UZVOFSVOHBIIDT-UHFFFAOYSA-N 2 0 259.350 -0.763 20 0 CBADRP CCN(C(=O)C(=O)NC1CC[NH+](CC)CC1)[C@H]1CC[NH2+]C1 ZINC001333360566 887611498 /nfs/dbraw/zinc/61/14/98/887611498.db2.gz JYPYVIYSGCCLJD-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001333406526 887623950 /nfs/dbraw/zinc/62/39/50/887623950.db2.gz VTKMOSKLIXFSRG-SNVBAGLBSA-N 2 0 282.388 -0.417 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001333404481 887625186 /nfs/dbraw/zinc/62/51/86/887625186.db2.gz ORWUXVQVHNQQMZ-QNWHQSFQSA-N 2 0 296.415 -0.171 20 0 CBADRP CN1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC[NH+](C)CC1 ZINC001333404953 887625385 /nfs/dbraw/zinc/62/53/85/887625385.db2.gz QBSQHJHWKWYIOO-OAHLLOKOSA-N 2 0 284.448 -0.379 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333438442 887639495 /nfs/dbraw/zinc/63/94/95/887639495.db2.gz IRCHGVPYSJOUCJ-TXEJJXNPSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC001333548012 887687063 /nfs/dbraw/zinc/68/70/63/887687063.db2.gz KTUZIIWFZGJFTK-SDDRHHMPSA-N 2 0 282.388 -0.594 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001333566214 887695508 /nfs/dbraw/zinc/69/55/08/887695508.db2.gz KHPGIXSQPCKOAJ-QWHCGFSZSA-N 2 0 298.431 -0.114 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001333627813 887723307 /nfs/dbraw/zinc/72/33/07/887723307.db2.gz AMNNLKXVXMRXJB-SNVBAGLBSA-N 2 0 294.346 -0.152 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001333629907 887725397 /nfs/dbraw/zinc/72/53/97/887725397.db2.gz LTQUUFGHMXJTND-QWRGUYRKSA-N 2 0 259.350 -0.685 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333958047 887819462 /nfs/dbraw/zinc/81/94/62/887819462.db2.gz AANQMSJSSMDWGI-FRRDWIJNSA-N 2 0 296.415 -0.170 20 0 CBADRP O=C(NCC[NH+]1CC=CC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC001334001314 887839294 /nfs/dbraw/zinc/83/92/94/887839294.db2.gz ZPANWHUESNLZLM-CYBMUJFWSA-N 2 0 265.357 -0.305 20 0 CBADRP Cn1nnnc1CCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC001334707539 888292414 /nfs/dbraw/zinc/29/24/14/888292414.db2.gz KWRIGNCETJLOGL-YNEHKIRRSA-N 2 0 294.403 -0.111 20 0 CBADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001334774226 888320120 /nfs/dbraw/zinc/32/01/20/888320120.db2.gz GVFUYCXBVPMWDQ-OLZOCXBDSA-N 3 0 268.405 -0.146 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])CC2)CC[N@@H+]1C ZINC001335207471 888448430 /nfs/dbraw/zinc/44/84/30/888448430.db2.gz RPHBVZTXSWNDNF-ZJUUUORDSA-N 2 0 268.361 -0.807 20 0 CBADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCCc1nnnn1C ZINC001335252484 888471653 /nfs/dbraw/zinc/47/16/53/888471653.db2.gz JARWJKOGYLGUKK-HBNTYKKESA-N 2 0 268.365 -0.515 20 0 CBADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCc1nnnn1C ZINC001335252482 888472040 /nfs/dbraw/zinc/47/20/40/888472040.db2.gz JARWJKOGYLGUKK-DCAQKATOSA-N 2 0 268.365 -0.515 20 0 CBADRP C[NH2+]CCC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001335300429 888489989 /nfs/dbraw/zinc/48/99/89/888489989.db2.gz DWLRYUHOMWYUDW-UHFFFAOYSA-N 2 0 255.362 -0.033 20 0 CBADRP [NH3+]CCCOC1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001335309090 888495480 /nfs/dbraw/zinc/49/54/80/888495480.db2.gz QNHNXBCZZOKOSF-OAHLLOKOSA-N 2 0 299.415 -0.153 20 0 CBADRP CC[NH+](CC)CCNC(=O)N1CCNCC[NH2+]CC1 ZINC001335325891 888499854 /nfs/dbraw/zinc/49/98/54/888499854.db2.gz AZKHDPJMUWMQKH-UHFFFAOYSA-N 2 0 271.409 -0.467 20 0 CBADRP O=C(NC1CC[NH+](C2CC2)CC1)N1CCNCC[NH2+]CC1 ZINC001335366996 888517155 /nfs/dbraw/zinc/51/71/55/888517155.db2.gz KUDRILBYJWWKTJ-UHFFFAOYSA-N 2 0 295.431 -0.182 20 0 CBADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]CCC(N)=O)cc1 ZINC001335368363 888517553 /nfs/dbraw/zinc/51/75/53/888517553.db2.gz WOYUQAMCRTWKEF-UHFFFAOYSA-N 2 0 292.383 -0.057 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001335378757 888519812 /nfs/dbraw/zinc/51/98/12/888519812.db2.gz JIQLYEWULTXAGK-SRVKXCTJSA-N 2 0 284.404 -0.267 20 0 CBADRP C[C@H](CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)[S@@](C)=O ZINC001335476604 888544431 /nfs/dbraw/zinc/54/44/31/888544431.db2.gz JNJVSCIEKHPZHN-QHRIQVFBSA-N 2 0 291.461 -0.659 20 0 CBADRP C[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1nncn1C ZINC001335499022 888548390 /nfs/dbraw/zinc/54/83/90/888548390.db2.gz GOSNCATXGPEPDQ-VXGBXAGGSA-N 2 0 267.377 -0.035 20 0 CBADRP C[NH+](C)CCOCCNC(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001335510198 888551003 /nfs/dbraw/zinc/55/10/03/888551003.db2.gz QLAUDZGSMZAPKH-NEPJUHHUSA-N 2 0 272.393 -0.009 20 0 CBADRP [NH3+]C[C@@H]1CN(C[C@@H]2CCc3ncnn32)CCCO1 ZINC001335521817 888553812 /nfs/dbraw/zinc/55/38/12/888553812.db2.gz MHCWKRGDJNVGAO-WDEREUQCSA-N 2 0 251.334 -0.185 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001335538350 888559754 /nfs/dbraw/zinc/55/97/54/888559754.db2.gz RSOVHKZPFVBVTD-AWEZNQCLSA-N 2 0 297.447 -0.077 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCNCC[NH2+]CC1 ZINC001335551425 888564879 /nfs/dbraw/zinc/56/48/79/888564879.db2.gz LPGNJMJXFFJTHK-LBPRGKRZSA-N 2 0 271.409 -0.436 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)NC2CC[NH2+]CC2)CC1 ZINC001335583537 888569080 /nfs/dbraw/zinc/56/90/80/888569080.db2.gz GBTFWROSKHZWQH-UHFFFAOYSA-N 2 0 269.393 -0.539 20 0 CBADRP O=C(NCC1=CC[NH2+]CC1)N1CCNCC[NH2+]CC1 ZINC001335595154 888575429 /nfs/dbraw/zinc/57/54/29/888575429.db2.gz FRASXDOTUNQMIP-UHFFFAOYSA-N 2 0 267.377 -0.890 20 0 CBADRP C[C@H](O)[C@H](O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC001335593650 888576492 /nfs/dbraw/zinc/57/64/92/888576492.db2.gz IRGASRBYRBQSJJ-QWHCGFSZSA-N 2 0 259.394 -0.703 20 0 CBADRP CCO[C@H](CNC(=O)NC[C@@H]([NH3+])CC)C[NH+](C)C ZINC001335595212 888576770 /nfs/dbraw/zinc/57/67/70/888576770.db2.gz GEOQMTGKIXEACA-WDEREUQCSA-N 2 0 260.382 -0.010 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC001335623897 888586183 /nfs/dbraw/zinc/58/61/83/888586183.db2.gz XPSFSIAQAMKZOK-LBPRGKRZSA-N 2 0 269.393 -0.458 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)C(=O)NCC[NH3+])C[C@@H]2C1 ZINC001335778509 888626336 /nfs/dbraw/zinc/62/63/36/888626336.db2.gz RGFUHLAHSZXXPC-SDDRHHMPSA-N 2 0 282.388 -0.750 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001335800847 888633489 /nfs/dbraw/zinc/63/34/89/888633489.db2.gz JBFDKOSPAVJQHB-TXEJJXNPSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@H](C[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)C[NH+](C)C ZINC001335956023 888660528 /nfs/dbraw/zinc/66/05/28/888660528.db2.gz XZKWYEQKWBQAKK-AGIUHOORSA-N 2 0 260.378 -0.324 20 0 CBADRP COC[C@H](O)C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC001335950747 888660617 /nfs/dbraw/zinc/66/06/17/888660617.db2.gz KGTUDKJOXVZSMS-CYBMUJFWSA-N 2 0 259.394 -0.389 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC001336038879 888679959 /nfs/dbraw/zinc/67/99/59/888679959.db2.gz BXKQNKUFRRYWDL-RQJHMYQMSA-N 2 0 256.272 -0.729 20 0 CBADRP Nc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)nn1 ZINC001336116604 888697507 /nfs/dbraw/zinc/69/75/07/888697507.db2.gz HCDMUCSLTKGIHD-GFCCVEGCSA-N 2 0 262.361 -0.462 20 0 CBADRP [NH3+]C/C=C/CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001336131797 888701980 /nfs/dbraw/zinc/70/19/80/888701980.db2.gz BNOSVUARUZBZDG-XXUGLENDSA-N 2 0 282.388 -0.258 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)NCCN1CCC([NH3+])CC1 ZINC001336124291 888702060 /nfs/dbraw/zinc/70/20/60/888702060.db2.gz KTQBBFMVWQFEPK-JTQLQIEISA-N 2 0 257.382 -0.554 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001336590278 888806059 /nfs/dbraw/zinc/80/60/59/888806059.db2.gz XFTAFGBUZZOBCY-WUHRBBMRSA-N 2 0 296.415 -0.362 20 0 CBADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)CC[N@@H+]1C ZINC001336633888 888825842 /nfs/dbraw/zinc/82/58/42/888825842.db2.gz MMWCLWDLNGEZRR-MNOVXSKESA-N 2 0 282.388 -0.465 20 0 CBADRP C[NH2+]C[C@H]1CCN(C(=O)[C@H]2[NH2+]CC23CCOCC3)C1 ZINC001336643961 888827437 /nfs/dbraw/zinc/82/74/37/888827437.db2.gz CWPWJZBWDVJTSW-VXGBXAGGSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001336650423 888833642 /nfs/dbraw/zinc/83/36/42/888833642.db2.gz UAZLVFVIWNXHHA-WUHRBBMRSA-N 2 0 296.415 -0.362 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC001336658859 888836906 /nfs/dbraw/zinc/83/69/06/888836906.db2.gz LPWCSKQOMRFXDQ-SDDRHHMPSA-N 2 0 254.378 -0.476 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001336689997 888846533 /nfs/dbraw/zinc/84/65/33/888846533.db2.gz YCPMZZAFDNMLOT-RYUDHWBXSA-N 2 0 267.373 -0.048 20 0 CBADRP Cc1cncc(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)n1 ZINC001336703648 888849993 /nfs/dbraw/zinc/84/99/93/888849993.db2.gz LXHNLZDCCYHSRU-HNNXBMFYSA-N 2 0 293.415 -0.475 20 0 CBADRP CC[NH2+]CCCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001336708343 888852124 /nfs/dbraw/zinc/85/21/24/888852124.db2.gz DOXNGGLXPSHTTC-SFHVURJKSA-N 2 0 275.418 -0.397 20 0 CBADRP CCOC(=O)CC[C@H](O)C[NH2+]CCN1CC[NH+](C)CC1 ZINC001336728177 888860367 /nfs/dbraw/zinc/86/03/67/888860367.db2.gz UTSXIUGWALLQFW-ZDUSSCGKSA-N 2 0 287.404 -0.472 20 0 CBADRP CCOCC[C@@H](O)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC001336786043 888879678 /nfs/dbraw/zinc/87/96/78/888879678.db2.gz YLGWEMGHLUYRCU-GFCCVEGCSA-N 2 0 260.378 -0.180 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCNCC[NH2+]CC1 ZINC001336795819 888882051 /nfs/dbraw/zinc/88/20/51/888882051.db2.gz FHWBXVSNCGZRDD-CYBMUJFWSA-N 2 0 285.436 -0.079 20 0 CBADRP C[C@@H](O)C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC001336794858 888882951 /nfs/dbraw/zinc/88/29/51/888882951.db2.gz OIWYYULZVITNRD-GFCCVEGCSA-N 2 0 257.378 -0.051 20 0 CBADRP CN(CCC[NH2+]C[C@@H](O)C1(O)CCC1)CC[NH+](C)C ZINC001336803047 888886460 /nfs/dbraw/zinc/88/64/60/888886460.db2.gz YLFDNFRXYNNPRG-CYBMUJFWSA-N 2 0 273.421 -0.265 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)N1CC[NH2+]C[C@H]1COC ZINC001336905302 888915990 /nfs/dbraw/zinc/91/59/90/888915990.db2.gz DHTQGOODMVWASN-QWRGUYRKSA-N 2 0 258.366 -0.528 20 0 CBADRP CCO[C@H](CNC(=O)NC[C@H](C)C[NH3+])C[NH+](C)C ZINC001336906465 888916955 /nfs/dbraw/zinc/91/69/55/888916955.db2.gz OJJBDTRDYJAVOF-GHMZBOCLSA-N 2 0 260.382 -0.153 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)NCCN1CCC([NH3+])CC1 ZINC001336910285 888919800 /nfs/dbraw/zinc/91/98/00/888919800.db2.gz TXBIRLVZKBGZHG-SNVBAGLBSA-N 2 0 257.382 -0.554 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC001336966046 888937608 /nfs/dbraw/zinc/93/76/08/888937608.db2.gz WAZUEZJLHBTWNP-NHCYSSNCSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001336964176 888937936 /nfs/dbraw/zinc/93/79/36/888937936.db2.gz GEKRUQIICLNULS-TUAOUCFPSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC001336966044 888938075 /nfs/dbraw/zinc/93/80/75/888938075.db2.gz WAZUEZJLHBTWNP-JBLDHEPKSA-N 2 0 282.388 -0.561 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001337037541 888952011 /nfs/dbraw/zinc/95/20/11/888952011.db2.gz SPFFYYUBYGMYIO-UWVGGRQHSA-N 2 0 256.350 -0.647 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001337037344 888952103 /nfs/dbraw/zinc/95/21/03/888952103.db2.gz PLSGEGIXOBGTCW-IRCOFANPSA-N 2 0 268.361 -0.755 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCO1 ZINC001337043940 888953232 /nfs/dbraw/zinc/95/32/32/888953232.db2.gz QCCQZDLHVFHAFL-RNWYCLNJSA-N 2 0 268.361 -0.363 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC001337357677 888996870 /nfs/dbraw/zinc/99/68/70/888996870.db2.gz PGOHPWISGVIVGW-AGIUHOORSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001337419676 889004343 /nfs/dbraw/zinc/00/43/43/889004343.db2.gz CVCVBSUXSNXXTB-MXWKQRLJSA-N 2 0 280.372 -0.713 20 0 CBADRP C[C@@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001448458235 913302035 /nfs/dbraw/zinc/30/20/35/913302035.db2.gz ZURKBAJGHQMSEE-SYQHCUMBSA-N 2 0 281.400 -0.243 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC001337805644 889081066 /nfs/dbraw/zinc/08/10/66/889081066.db2.gz NQECUFULAHPVMZ-ZJUUUORDSA-N 2 0 252.318 -0.192 20 0 CBADRP C[C@@H]1CN(c2nccnc2C[NH3+])C[C@H](C)[N@H+]1CCO ZINC001338009855 889104696 /nfs/dbraw/zinc/10/46/96/889104696.db2.gz KXWBLRYRYMBORU-PHIMTYICSA-N 2 0 265.361 -0.173 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001448517450 913313421 /nfs/dbraw/zinc/31/34/21/913313421.db2.gz QVXCROLPHWTBLD-JHJVBQTASA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC1([NH3+])CC1 ZINC001338277872 889133530 /nfs/dbraw/zinc/13/35/30/889133530.db2.gz JNNQOSDJJAALHE-WDEREUQCSA-N 2 0 282.388 -0.417 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC001338309337 889137516 /nfs/dbraw/zinc/13/75/16/889137516.db2.gz PBMQRFULLDIUDM-NDBYEHHHSA-N 2 0 296.415 -0.314 20 0 CBADRP [NH3+]C[C@H]1CCCN(C(=O)[C@H]2[NH2+]CC23CCOCC3)C1 ZINC001338369657 889148218 /nfs/dbraw/zinc/14/82/18/889148218.db2.gz VLHNFVINULYLST-VXGBXAGGSA-N 2 0 267.373 -0.048 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[C@@H]1[NH3+] ZINC001338373540 889150313 /nfs/dbraw/zinc/15/03/13/889150313.db2.gz GWOWOLDCANBDHF-UTUOFQBUSA-N 2 0 282.388 -0.621 20 0 CBADRP C[NH+]1CCN(CC[NH2+]C[C@H](O)c2ccccn2)CC1 ZINC001338419032 889156552 /nfs/dbraw/zinc/15/65/52/889156552.db2.gz PEMJXTLJSBYCLT-AWEZNQCLSA-N 2 0 264.373 -0.048 20 0 CBADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001338474060 889164159 /nfs/dbraw/zinc/16/41/59/889164159.db2.gz LSWIDOKTVVUWHT-CQSZACIVSA-N 2 0 297.447 -0.077 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]([NH3+])C1 ZINC001338518622 889169827 /nfs/dbraw/zinc/16/98/27/889169827.db2.gz KNULONUSNLXQKB-NWDGAFQWSA-N 2 0 269.393 -0.635 20 0 CBADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)NC[C@@H]1C[NH2+]CCO1)C2 ZINC001338640725 889184304 /nfs/dbraw/zinc/18/43/04/889184304.db2.gz JEGMBAPXUCETCR-BJDJZHNGSA-N 2 0 268.361 -0.504 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001338654466 889186138 /nfs/dbraw/zinc/18/61/38/889186138.db2.gz QORQMFQOBNKWIO-JNGXGDJUSA-N 2 0 250.346 -0.070 20 0 CBADRP CCO[C@@H](CNC(=O)NCC1C[NH2+]C1)C[NH+](C)C ZINC001338646831 889186636 /nfs/dbraw/zinc/18/66/36/889186636.db2.gz VEEFLXSALVULEX-NSHDSACASA-N 2 0 258.366 -0.528 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N1CCC[C@@]12CC[NH2+]C2 ZINC001338660180 889190182 /nfs/dbraw/zinc/19/01/82/889190182.db2.gz MMVGWNFRCXQMJV-AAEUAGOBSA-N 2 0 268.361 -0.488 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[NH2+]C[C@H]1CCOC ZINC001338659477 889190298 /nfs/dbraw/zinc/19/02/98/889190298.db2.gz HIFRBFRHWGNZHW-WDEREUQCSA-N 2 0 258.366 -0.386 20 0 CBADRP C[C@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)CCN1C ZINC001338876822 889213020 /nfs/dbraw/zinc/21/30/20/889213020.db2.gz HSIDUAAOUWEGCS-LBPRGKRZSA-N 2 0 269.389 -0.147 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC001339716665 889314752 /nfs/dbraw/zinc/31/47/52/889314752.db2.gz WOSIMTWIGVHJAN-KXUCPTDWSA-N 2 0 257.334 -0.537 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@H]1CCC[NH2+]C1 ZINC001339708942 889310637 /nfs/dbraw/zinc/31/06/37/889310637.db2.gz JMJYMIIYMNBZGC-FRRDWIJNSA-N 2 0 266.389 -0.510 20 0 CBADRP C[C@H](CS(C)(=O)=O)[NH2+]CCN1CCC([NH3+])CC1 ZINC001340065049 889377307 /nfs/dbraw/zinc/37/73/07/889377307.db2.gz RZKNXMXGEXJCLR-SNVBAGLBSA-N 2 0 263.407 -0.568 20 0 CBADRP [NH3+]CC1(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC(O)C1 ZINC001340044259 889368421 /nfs/dbraw/zinc/36/84/21/889368421.db2.gz ISSFAEBOHDTKTJ-CBKZZEEASA-N 2 0 267.373 -0.171 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001340041467 889369640 /nfs/dbraw/zinc/36/96/40/889369640.db2.gz KCVXLHOZIBXFBO-DYEKYZERSA-N 2 0 269.389 -0.053 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])COC)CC1 ZINC001340056387 889377679 /nfs/dbraw/zinc/37/76/79/889377679.db2.gz KSQUOUZQVBWVKC-NSHDSACASA-N 2 0 259.350 -0.813 20 0 CBADRP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(N)=O ZINC001448655634 913339854 /nfs/dbraw/zinc/33/98/54/913339854.db2.gz RSCKSAGVGQNXGX-GMTAPVOTSA-N 2 0 270.377 -0.752 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001340091646 889382416 /nfs/dbraw/zinc/38/24/16/889382416.db2.gz WUTAXXPTXRBFBP-BJDJZHNGSA-N 2 0 257.378 -0.198 20 0 CBADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[NH2+]CCN2C)CC[N@@H+]1C ZINC001340105580 889385698 /nfs/dbraw/zinc/38/56/98/889385698.db2.gz NZVUGJLFUPEJLJ-UPJWGTAASA-N 2 0 268.405 -0.169 20 0 CBADRP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[NH2+]CCN2C)CC[N@@H+]1C ZINC001340105579 889386304 /nfs/dbraw/zinc/38/63/04/889386304.db2.gz NZVUGJLFUPEJLJ-JHJVBQTASA-N 2 0 268.405 -0.169 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC001340127436 889389945 /nfs/dbraw/zinc/38/99/45/889389945.db2.gz CTHUGFQXHYWUCN-YPMHNXCESA-N 2 0 254.378 -0.604 20 0 CBADRP C[NH+](C)Cc1ccccc1CNC(=O)CNCC[NH3+] ZINC001340151904 889399801 /nfs/dbraw/zinc/39/98/01/889399801.db2.gz QMGKVKWODYSVQI-UHFFFAOYSA-N 2 0 264.373 -0.087 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(N)=O ZINC001448655637 913342139 /nfs/dbraw/zinc/34/21/39/913342139.db2.gz RSCKSAGVGQNXGX-HBNTYKKESA-N 2 0 270.377 -0.752 20 0 CBADRP C[C@]1(C(=O)NCCC[NH+]2CCC(O)CC2)C[C@H](O)C[NH2+]1 ZINC001340166877 889402707 /nfs/dbraw/zinc/40/27/07/889402707.db2.gz FGWBCBVUTFAODG-GXTWGEPZSA-N 2 0 285.388 -0.938 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1=O ZINC001340180118 889403868 /nfs/dbraw/zinc/40/38/68/889403868.db2.gz AZWQHMLXNRFABA-UTUOFQBUSA-N 2 0 280.372 -0.996 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC001340183970 889404942 /nfs/dbraw/zinc/40/49/42/889404942.db2.gz PQRRMNFFNHYHQI-IJLUTSLNSA-N 2 0 266.389 -0.369 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC001340183969 889405291 /nfs/dbraw/zinc/40/52/91/889405291.db2.gz PQRRMNFFNHYHQI-GRYCIOLGSA-N 2 0 266.389 -0.369 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001340239811 889413641 /nfs/dbraw/zinc/41/36/41/889413641.db2.gz CCCSRBVJXLRFPO-SGMGOOAPSA-N 2 0 269.389 -0.101 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C1(C[NH3+])CC(O)C1 ZINC001340237235 889413721 /nfs/dbraw/zinc/41/37/21/889413721.db2.gz PYWVACQCBMMTJP-UHFFFAOYSA-N 2 0 257.378 -0.114 20 0 CBADRP CC(C)[C@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC[NH2+]1 ZINC001340280286 889417996 /nfs/dbraw/zinc/41/79/96/889417996.db2.gz FSFVMPJCCZPHCO-WZRBSPASSA-N 2 0 255.362 -0.444 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)C1=O ZINC001340310568 889420435 /nfs/dbraw/zinc/42/04/35/889420435.db2.gz AJFLLIPUFYGNDC-YNEHKIRRSA-N 2 0 294.399 -0.606 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC001340328265 889422092 /nfs/dbraw/zinc/42/20/92/889422092.db2.gz SCSWKRFRLZYLAY-USWWRNFRSA-N 2 0 257.378 -0.164 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001340320941 889422612 /nfs/dbraw/zinc/42/26/12/889422612.db2.gz KXTCFRCIZWEYRG-LBPRGKRZSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[NH2+]C(C)(C)C1 ZINC001340319350 889423263 /nfs/dbraw/zinc/42/32/63/889423263.db2.gz JLEMYIKMVXQBHA-NWDGAFQWSA-N 2 0 266.389 -0.415 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[NH2+]C(C)(C)C1 ZINC001340319352 889423337 /nfs/dbraw/zinc/42/33/37/889423337.db2.gz JLEMYIKMVXQBHA-VXGBXAGGSA-N 2 0 266.389 -0.415 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC001340366381 889427598 /nfs/dbraw/zinc/42/75/98/889427598.db2.gz ZIMQTLOCSFAALA-WDEREUQCSA-N 2 0 255.362 -0.443 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC001340366379 889428618 /nfs/dbraw/zinc/42/86/18/889428618.db2.gz ZIMQTLOCSFAALA-QWRGUYRKSA-N 2 0 255.362 -0.443 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001340364530 889428705 /nfs/dbraw/zinc/42/87/05/889428705.db2.gz JOQGLXZLUAGVAO-MXWKQRLJSA-N 2 0 267.373 -0.003 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001340478973 889438590 /nfs/dbraw/zinc/43/85/90/889438590.db2.gz VYJSWKQXVJYXFB-TUAOUCFPSA-N 2 0 254.378 -0.654 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[NH2+]CC1(C)C ZINC001340482917 889438676 /nfs/dbraw/zinc/43/86/76/889438676.db2.gz DIPJPFGDKJNOFN-NWDGAFQWSA-N 2 0 266.389 -0.415 20 0 CBADRP C[C@@]1(C(=O)NCc2ccc(C[NH3+])cc2)C[C@H](O)C[NH2+]1 ZINC001340534844 889446363 /nfs/dbraw/zinc/44/63/63/889446363.db2.gz VFRATYADCMJFHJ-JSGCOSHPSA-N 2 0 263.341 -0.126 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)CC(C)(C)[NH3+] ZINC001340596155 889451306 /nfs/dbraw/zinc/45/13/06/889451306.db2.gz POYQTZPOSGDJAH-QWRGUYRKSA-N 2 0 254.378 -0.430 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001340597586 889452116 /nfs/dbraw/zinc/45/21/16/889452116.db2.gz YVWHBZJNGPFKNW-IJLUTSLNSA-N 2 0 255.362 -0.171 20 0 CBADRP [NH3+]C1(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CCCCC1 ZINC001340615530 889455045 /nfs/dbraw/zinc/45/50/45/889455045.db2.gz OZEWHRALWUUJTI-SNVBAGLBSA-N 2 0 253.346 -0.105 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)[C@@H]2C[C@@H]2C[NH3+])cn1 ZINC001340635580 889456977 /nfs/dbraw/zinc/45/69/77/889456977.db2.gz RYXZNSVZRAJMSL-MWLCHTKSSA-N 2 0 251.334 -0.022 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CCC3(C[NH2+]C3)CC2)=NO1 ZINC001340705605 889471331 /nfs/dbraw/zinc/47/13/31/889471331.db2.gz QPDSWHVYKPBMFZ-SECBINFHSA-N 2 0 252.318 -0.698 20 0 CBADRP O=C(CC1CC[NH2+]CC1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001340727239 889472756 /nfs/dbraw/zinc/47/27/56/889472756.db2.gz NFJPXSFBDXZJTQ-ZDUSSCGKSA-N 2 0 269.389 -0.051 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001340725944 889473563 /nfs/dbraw/zinc/47/35/63/889473563.db2.gz JDZALRITEGCNAF-DYEKYZERSA-N 2 0 267.373 -0.177 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@]12C[C@H]1CCC[NH2+]2 ZINC001340737777 889477425 /nfs/dbraw/zinc/47/74/25/889477425.db2.gz APGWNIJQBJWGQL-NRUUGDAUSA-N 2 0 251.330 -0.624 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001448687478 913349762 /nfs/dbraw/zinc/34/97/62/913349762.db2.gz VXRMXFMQIAMBPT-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340762373 889482305 /nfs/dbraw/zinc/48/23/05/889482305.db2.gz FLKVMEVOBPDQIQ-NXEZZACHSA-N 2 0 266.345 -0.167 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCC(C)(C)C[NH+](C)C ZINC001340774695 889485078 /nfs/dbraw/zinc/48/50/78/889485078.db2.gz TWRDDWUTIFEAEL-QWRGUYRKSA-N 2 0 259.394 -0.093 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)C1 ZINC001340787577 889487459 /nfs/dbraw/zinc/48/74/59/889487459.db2.gz NAUBOFBMUDUIEC-KWBADKCTSA-N 2 0 266.345 -0.262 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)NCCCC[NH+]1CCOCC1 ZINC001340808351 889489571 /nfs/dbraw/zinc/48/95/71/889489571.db2.gz NQFOESQVPRDNQW-LLVKDONJSA-N 2 0 273.377 -0.687 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])CO)CC[C@H]1C(F)(F)F ZINC001340827481 889491690 /nfs/dbraw/zinc/49/16/90/889491690.db2.gz SSJJHJCIQOFJTK-BWZBUEFSSA-N 2 0 269.267 -0.708 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001340825278 889492579 /nfs/dbraw/zinc/49/25/79/889492579.db2.gz WXTMDARGRYQKIG-WCQYABFASA-N 2 0 255.362 -0.299 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC001340839528 889496212 /nfs/dbraw/zinc/49/62/12/889496212.db2.gz TVBQGZSHZGSNIK-GHMZBOCLSA-N 2 0 257.378 -0.245 20 0 CBADRP C[C@]1(C(=O)N2CCCCC[C@H]([NH3+])C2)C[C@H](O)C[NH2+]1 ZINC001340876180 889502924 /nfs/dbraw/zinc/50/29/24/889502924.db2.gz LXLDPGFODHGWGH-GMXVVIOVSA-N 2 0 255.362 -0.171 20 0 CBADRP O=C([C@H]1CCC[NH2+]CC1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001340868812 889502996 /nfs/dbraw/zinc/50/29/96/889502996.db2.gz VMYOYJQBOAPWIY-STQMWFEESA-N 2 0 269.389 -0.051 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)C[C@@H](O)C[NH3+] ZINC001340880363 889503395 /nfs/dbraw/zinc/50/33/95/889503395.db2.gz MNLXZBINZFICMP-MNOVXSKESA-N 2 0 261.366 -0.831 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001340888329 889506111 /nfs/dbraw/zinc/50/61/11/889506111.db2.gz SHZHVTRXZFGPCE-DDHJBXDOSA-N 2 0 257.378 -0.164 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001340903285 889509266 /nfs/dbraw/zinc/50/92/66/889509266.db2.gz KUWVERDDHLFZIN-GMTAPVOTSA-N 2 0 253.346 -0.521 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001340907478 889509330 /nfs/dbraw/zinc/50/93/30/889509330.db2.gz QTTSIBXZPFYAPN-YPMHNXCESA-N 2 0 269.389 -0.114 20 0 CBADRP CCC[NH2+]CCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001340893975 889509351 /nfs/dbraw/zinc/50/93/51/889509351.db2.gz MGVJTQWGFSULMZ-NSHDSACASA-N 2 0 270.377 -0.701 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@H]1CCC[NH2+]CC1 ZINC001340917140 889512331 /nfs/dbraw/zinc/51/23/31/889512331.db2.gz XMKIFWGWQLQOGN-WCQYABFASA-N 2 0 255.362 -0.251 20 0 CBADRP C[NH2+]CCN(C)C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340908112 889513878 /nfs/dbraw/zinc/51/38/78/889513878.db2.gz WESHZZTUBSDULQ-UHFFFAOYSA-N 2 0 254.334 -0.437 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC001340935948 889517095 /nfs/dbraw/zinc/51/70/95/889517095.db2.gz LFVLPVQCSSAWJE-NXEZZACHSA-N 2 0 269.345 -0.475 20 0 CBADRP C[NH2+]C1CC(C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC001340943859 889518553 /nfs/dbraw/zinc/51/85/53/889518553.db2.gz VDMGXXNURKLAAL-UHFFFAOYSA-N 2 0 254.378 -0.476 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC001340945383 889520173 /nfs/dbraw/zinc/52/01/73/889520173.db2.gz RHBOTXZTIAWMOF-CIUDSAMLSA-N 2 0 265.304 -0.684 20 0 CBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@H]([NH3+])CO ZINC001340982169 889526370 /nfs/dbraw/zinc/52/63/70/889526370.db2.gz GBOLPGSWUZTKJF-CMPLNLGQSA-N 2 0 264.329 -0.562 20 0 CBADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)CNCC[NH3+])c1 ZINC001340967579 889527152 /nfs/dbraw/zinc/52/71/52/889527152.db2.gz OJDFWAYWVXZCPA-CQSZACIVSA-N 2 0 292.383 -0.284 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccn(CCC[NH3+])n1 ZINC001341000231 889529819 /nfs/dbraw/zinc/52/98/19/889529819.db2.gz PELJIQGEEMLBQQ-MWLCHTKSSA-N 2 0 251.334 -0.430 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC001341010679 889533618 /nfs/dbraw/zinc/53/36/18/889533618.db2.gz PFIBFMNVGNPCJF-GRYCIOLGSA-N 2 0 255.362 -0.273 20 0 CBADRP O=C(NCCCCCN1CC[NH2+]CC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC001341069460 889539663 /nfs/dbraw/zinc/53/96/63/889539663.db2.gz CCXNPSJNCNVSAP-MCIONIFRSA-N 2 0 280.416 -0.072 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001341063774 889539782 /nfs/dbraw/zinc/53/97/82/889539782.db2.gz LVUHGQIAPHZMBT-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001341124046 889548985 /nfs/dbraw/zinc/54/89/85/889548985.db2.gz SMQOIDSGMPQUNV-BJDJZHNGSA-N 2 0 257.378 -0.354 20 0 CBADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001341099868 889542940 /nfs/dbraw/zinc/54/29/40/889542940.db2.gz NDAKXXFIPUMUMX-GFCCVEGCSA-N 2 0 268.405 -0.214 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001341096995 889543313 /nfs/dbraw/zinc/54/33/13/889543313.db2.gz JTGZJUHLMVUJEH-KXNHARMFSA-N 2 0 257.378 -0.354 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001341143035 889547085 /nfs/dbraw/zinc/54/70/85/889547085.db2.gz BYFFJBRUVRBXSY-ZANVPECISA-N 2 0 263.345 -0.409 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC(C)(C)CC[NH3+] ZINC001341129806 889548856 /nfs/dbraw/zinc/54/88/56/889548856.db2.gz LXQMXSLFGWHKDT-MNOVXSKESA-N 2 0 254.378 -0.382 20 0 CBADRP O=C(NCCCCCN1CC[NH2+]CC1)[C@H]1C[NH2+]CCO1 ZINC001341190679 889557256 /nfs/dbraw/zinc/55/72/56/889557256.db2.gz IVMOMBGRDVTWAC-CYBMUJFWSA-N 2 0 284.404 -0.834 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001341285607 889569027 /nfs/dbraw/zinc/56/90/27/889569027.db2.gz UBSVILIRLXCIDR-TZMCWYRMSA-N 2 0 269.389 -0.101 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1[NH2+]CC12CCCC2 ZINC001341294438 889572691 /nfs/dbraw/zinc/57/26/91/889572691.db2.gz YVCVIQANTTUBTK-QWRGUYRKSA-N 2 0 253.346 -0.377 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001341318433 889574190 /nfs/dbraw/zinc/57/41/90/889574190.db2.gz OIYLHAAEXAMHQL-WISYIIOYSA-N 2 0 257.378 -0.341 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001341318435 889574670 /nfs/dbraw/zinc/57/46/70/889574670.db2.gz OIYLHAAEXAMHQL-WYUUTHIRSA-N 2 0 257.378 -0.341 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC001341354072 889579043 /nfs/dbraw/zinc/57/90/43/889579043.db2.gz PJSTZHWDQAPJPG-AGIUHOORSA-N 2 0 266.389 -0.428 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)C12CC(C1)C[NH2+]2 ZINC001341351550 889579247 /nfs/dbraw/zinc/57/92/47/889579247.db2.gz PNFFNZZNSUVWFV-UHFFFAOYSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC(C[NH3+])CC1 ZINC001341351426 889581124 /nfs/dbraw/zinc/58/11/24/889581124.db2.gz BSCSNZQSRIJAOQ-YPMHNXCESA-N 2 0 266.389 -0.428 20 0 CBADRP [NH3+][C@@H]1C[C@H](C(=O)NCC2([NH3+])CCOCC2)[C@H]2C[C@H]21 ZINC001341458932 889600748 /nfs/dbraw/zinc/60/07/48/889600748.db2.gz UGKXEOKCSNSCEV-ZRUFSTJUSA-N 2 0 253.346 -0.406 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC001341473563 889603536 /nfs/dbraw/zinc/60/35/36/889603536.db2.gz UMZQRQSJZOWXPC-MCIONIFRSA-N 2 0 299.415 -0.033 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC001341492790 889606476 /nfs/dbraw/zinc/60/64/76/889606476.db2.gz MHGDUDHYJSIXPK-TUAOUCFPSA-N 2 0 257.378 -0.067 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC001341500987 889609600 /nfs/dbraw/zinc/60/96/00/889609600.db2.gz GNYYXEPZSUUWNP-DRZSPHRISA-N 2 0 269.389 -0.245 20 0 CBADRP O=C(CC[NH2+]C1CC1)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001341526080 889615893 /nfs/dbraw/zinc/61/58/93/889615893.db2.gz OQMSFCOWMRCWKJ-LBPRGKRZSA-N 2 0 252.318 -0.876 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)NCC[NH+]1CCCC1 ZINC001341536413 889617248 /nfs/dbraw/zinc/61/72/48/889617248.db2.gz ZXHMHHNRUHAPOZ-CYBMUJFWSA-N 2 0 255.362 -0.297 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001341532780 889617460 /nfs/dbraw/zinc/61/74/60/889617460.db2.gz HNYMPVDAUOOPLQ-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)C1(C[NH3+])CC(O)C1)C1CC1 ZINC001341571868 889623343 /nfs/dbraw/zinc/62/33/43/889623343.db2.gz VJUSBAMDSBPADB-AKJDGMEZSA-N 2 0 255.362 -0.457 20 0 CBADRP [NH3+]CCNCC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC001341564884 889623704 /nfs/dbraw/zinc/62/37/04/889623704.db2.gz QGJSYDXWJDVPLT-SFYZADRCSA-N 2 0 268.283 -0.870 20 0 CBADRP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001341590794 889628527 /nfs/dbraw/zinc/62/85/27/889628527.db2.gz IVSMPCFSEBDOEN-FPMFFAJLSA-N 2 0 267.373 -0.169 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+]C[C@H]1CO ZINC001341583013 889629663 /nfs/dbraw/zinc/62/96/63/889629663.db2.gz WCNTYSORZRBJNG-RYUDHWBXSA-N 2 0 255.362 -0.348 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CNCC[NH3+] ZINC001341628026 889636661 /nfs/dbraw/zinc/63/66/61/889636661.db2.gz VOEMDOZSKBISDX-NEPJUHHUSA-N 2 0 254.378 -0.380 20 0 CBADRP C[C@]1(C(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@H](O)C[NH2+]1 ZINC001341641990 889639906 /nfs/dbraw/zinc/63/99/06/889639906.db2.gz FMSHMHBMRGIVDF-WCQYABFASA-N 2 0 267.373 -0.299 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C[C@H](O)C[NH3+])C[C@H](C)O1 ZINC001341645442 889640493 /nfs/dbraw/zinc/64/04/93/889640493.db2.gz ZITCJBQVEQTKQV-TUAOUCFPSA-N 2 0 273.377 -0.688 20 0 CBADRP O=C(NCC1=CC[NH2+]CC1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001341650217 889640623 /nfs/dbraw/zinc/64/06/23/889640623.db2.gz YJVHOGUOQADNBN-CQSZACIVSA-N 2 0 278.356 -0.079 20 0 CBADRP [NH3+][C@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C12CCC2 ZINC001341656383 889642355 /nfs/dbraw/zinc/64/23/55/889642355.db2.gz SJYDLROZPKPBIQ-DYNIEEOBSA-N 2 0 265.357 -0.392 20 0 CBADRP C[C@@H](CNC(=O)CNCC[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC001341662748 889643166 /nfs/dbraw/zinc/64/31/66/889643166.db2.gz MZKUSYBPJNBWPW-RYUDHWBXSA-N 2 0 256.394 -0.229 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@H](C)[C@@H](O)C[NH2+]C)CC[C@@H]1[NH3+] ZINC001341659558 889643256 /nfs/dbraw/zinc/64/32/56/889643256.db2.gz NEVULEFRKIHMJA-WYUUTHIRSA-N 2 0 257.378 -0.211 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])C[C@H]1CC[NH3+] ZINC001341662880 889643439 /nfs/dbraw/zinc/64/34/39/889643439.db2.gz DRCPEPBQWRLHQZ-KKOKHZNYSA-N 2 0 255.362 -0.207 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001341677634 889645515 /nfs/dbraw/zinc/64/55/15/889645515.db2.gz QVFMNCJKANXPNG-OCCSQVGLSA-N 2 0 269.389 -0.051 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001341675585 889645581 /nfs/dbraw/zinc/64/55/81/889645581.db2.gz LMKLCJWYPNTXCZ-KQXIARHKSA-N 2 0 255.362 -0.539 20 0 CBADRP [NH3+]CCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001341669893 889646490 /nfs/dbraw/zinc/64/64/90/889646490.db2.gz SHWFXBDRBJHJPC-OKILXGFUSA-N 3 0 296.415 -0.611 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)C[C@H]1C(F)(F)F ZINC001341690960 889648547 /nfs/dbraw/zinc/64/85/47/889648547.db2.gz RXMGMRCNMCOOCH-OFPUPOEVSA-N 2 0 263.263 -0.058 20 0 CBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001341687590 889648700 /nfs/dbraw/zinc/64/87/00/889648700.db2.gz UVWAWIGCMUREOX-PJXYFTJBSA-N 2 0 253.346 -0.569 20 0 CBADRP [NH3+]CC1(C(=O)NCCC[C@H]2CCC[NH2+]2)CC(O)C1 ZINC001341690201 889649439 /nfs/dbraw/zinc/64/94/39/889649439.db2.gz VHLDMZIMVMOWCZ-XSRFYTQQSA-N 2 0 255.362 -0.265 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)NCCC[C@H]2CCC[NH2+]2)C1=O ZINC001341688789 889649903 /nfs/dbraw/zinc/64/99/03/889649903.db2.gz LRVFJFIIORDGOZ-CHWSQXEVSA-N 2 0 296.415 -0.168 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001341707097 889651563 /nfs/dbraw/zinc/65/15/63/889651563.db2.gz DYOVQZLCYUOYJL-JTQLQIEISA-N 2 0 255.362 -0.179 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001341721516 889654423 /nfs/dbraw/zinc/65/44/23/889654423.db2.gz NMSNSQSBHBMLDU-CHWSQXEVSA-N 2 0 268.405 -0.323 20 0 CBADRP CC1([NH3+])CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001341764587 889659835 /nfs/dbraw/zinc/65/98/35/889659835.db2.gz IPAHEFRZMFBDAN-ZDUSSCGKSA-N 2 0 255.362 -0.169 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C[C@H](O)C[NH2+]1 ZINC001341789578 889663717 /nfs/dbraw/zinc/66/37/17/889663717.db2.gz ZTGPKBCTETZARV-ZJQBRPOHSA-N 2 0 269.389 -0.019 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001341799760 889665178 /nfs/dbraw/zinc/66/51/78/889665178.db2.gz VCECBPZPDWJUIL-IRCOFANPSA-N 2 0 253.346 -0.378 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001341797858 889666134 /nfs/dbraw/zinc/66/61/34/889666134.db2.gz NZGFQAWNUFBROC-IJLUTSLNSA-N 2 0 269.389 -0.067 20 0 CBADRP C[C@@]1(C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)C[C@@H](O)C[NH2+]1 ZINC001341808405 889666566 /nfs/dbraw/zinc/66/65/66/889666566.db2.gz LFEKHDMFCWDDGR-MHDGFBEUSA-N 2 0 267.373 -0.252 20 0 CBADRP C[C@@H]1C[C@H](C(=O)N2CCC[C@]([NH3+])(CO)C2)CC[NH2+]1 ZINC001341857144 889676218 /nfs/dbraw/zinc/67/62/18/889676218.db2.gz GAOMXHLUBHNVOD-NQBHXWOUSA-N 2 0 255.362 -0.313 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC001341858453 889676559 /nfs/dbraw/zinc/67/65/59/889676559.db2.gz MAJGDQLUSBCVIX-ZDUSSCGKSA-N 2 0 267.373 -0.027 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)C23CCC(CC2)[NH2+]3)C1 ZINC001341856669 889677057 /nfs/dbraw/zinc/67/70/57/889677057.db2.gz DBGFMCZCJPWWFK-YXMLORGKSA-N 2 0 253.346 -0.417 20 0 CBADRP C[C@@]1(C(=O)N2CCC3(CC[NH2+]3)CC2)C[C@@H](O)C[NH2+]1 ZINC001341975951 889691989 /nfs/dbraw/zinc/69/19/89/889691989.db2.gz RPKBQIBAKDMDIE-PWSUYJOCSA-N 2 0 253.346 -0.546 20 0 CBADRP C[C@@]1(C(=O)N2CCC3(CC[NH2+]3)CC2)C[C@H](O)C[NH2+]1 ZINC001341975950 889692039 /nfs/dbraw/zinc/69/20/39/889692039.db2.gz RPKBQIBAKDMDIE-JQWIXIFHSA-N 2 0 253.346 -0.546 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC001342010534 889696618 /nfs/dbraw/zinc/69/66/18/889696618.db2.gz ITVAQLUQVLURGD-RYUDHWBXSA-N 2 0 255.362 -0.192 20 0 CBADRP C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@@H]1C[N@H+](C)CCN1C ZINC001342033151 889702398 /nfs/dbraw/zinc/70/23/98/889702398.db2.gz CPMIKFJCWBRHLM-UPJWGTAASA-N 2 0 268.405 -0.264 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001342037336 889702547 /nfs/dbraw/zinc/70/25/47/889702547.db2.gz SNROPTAMQMALCL-GMXVVIOVSA-N 2 0 268.405 -0.123 20 0 CBADRP [NH3+][C@H]1C[C@@H](NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC001342063992 889704837 /nfs/dbraw/zinc/70/48/37/889704837.db2.gz DJKCZPGAQXIHKX-AEJSXWLSSA-N 2 0 264.333 -0.578 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CC12CC2)c1[nH]nc2c1C[NH2+]CC2 ZINC001342098623 889711370 /nfs/dbraw/zinc/71/13/70/889711370.db2.gz JWGDKYSHEDRQMK-SNVBAGLBSA-N 2 0 261.329 -0.463 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)N[C@@H]1C[NH2+]CC12CC2 ZINC001342097491 889711618 /nfs/dbraw/zinc/71/16/18/889711618.db2.gz FOKKOLBVOQPLNK-WDEREUQCSA-N 2 0 253.346 -0.377 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC001342126591 889713733 /nfs/dbraw/zinc/71/37/33/889713733.db2.gz QLLCLULFYPDEMQ-QJPTWQEYSA-N 2 0 265.357 -0.236 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC1([NH3+])CCCC1 ZINC001342128271 889718155 /nfs/dbraw/zinc/71/81/55/889718155.db2.gz ZQONAXFCUIWRNF-VXGBXAGGSA-N 2 0 266.389 -0.238 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)C1([C@@H](C)[NH3+])CCOCC1 ZINC001342220177 889732165 /nfs/dbraw/zinc/73/21/65/889732165.db2.gz OKMSJJQLPCYJJY-GFCCVEGCSA-N 2 0 287.404 -0.175 20 0 CBADRP [NH3+]CCNCC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC001342220142 889732547 /nfs/dbraw/zinc/73/25/47/889732547.db2.gz NQYWRKOHZRIZES-RKDXNWHRSA-N 2 0 282.310 -0.480 20 0 CBADRP [NH3+]CC1(C(=O)NC[C@H]2CCCCC[NH2+]2)CC(O)C1 ZINC001342211889 889733865 /nfs/dbraw/zinc/73/38/65/889733865.db2.gz FIMGGXVZLHYREJ-XSRFYTQQSA-N 2 0 255.362 -0.265 20 0 CBADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001342251978 889741809 /nfs/dbraw/zinc/74/18/09/889741809.db2.gz ZBDZURKDYJJBHJ-VXGBXAGGSA-N 2 0 257.378 -0.067 20 0 CBADRP [NH3+]CCNCC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC001342273811 889743434 /nfs/dbraw/zinc/74/34/34/889743434.db2.gz XGZQYCDTJFDQPG-UHFFFAOYSA-N 2 0 262.357 -0.503 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CCC[C@@]23CC[NH2+]C3)C1=O ZINC001342277732 889743776 /nfs/dbraw/zinc/74/37/76/889743776.db2.gz ZDIWBYCLKZCKKY-DOMZBBRYSA-N 2 0 294.399 -0.462 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC1(C[NH3+])CCCCC1 ZINC001342290811 889746871 /nfs/dbraw/zinc/74/68/71/889746871.db2.gz NHFJUBJOUYNZQI-QWRGUYRKSA-N 2 0 257.378 -0.019 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001342398535 889766959 /nfs/dbraw/zinc/76/69/59/889766959.db2.gz HSMFIBOMYNMYEL-WCQYABFASA-N 2 0 255.362 -0.048 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001342398531 889768069 /nfs/dbraw/zinc/76/80/69/889768069.db2.gz HSMFIBOMYNMYEL-AAEUAGOBSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC001342432692 889773260 /nfs/dbraw/zinc/77/32/60/889773260.db2.gz POOBGYFFRXMPHH-NQBHXWOUSA-N 2 0 255.362 -0.273 20 0 CBADRP CC[NH+](CC)CCSCC(=O)N1CC[NH2+]C[C@H]1CO ZINC001342439623 889774525 /nfs/dbraw/zinc/77/45/25/889774525.db2.gz MAHHXWSENJBXAS-LBPRGKRZSA-N 2 0 289.445 -0.146 20 0 CBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCN1CCC([NH3+])CC1 ZINC001342462149 889781748 /nfs/dbraw/zinc/78/17/48/889781748.db2.gz PUOBNECXCBLEDZ-PWSUYJOCSA-N 2 0 254.378 -0.476 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cn1ccnc1C ZINC001448778008 913381270 /nfs/dbraw/zinc/38/12/70/913381270.db2.gz FTFWGOYJZABYAC-MNOVXSKESA-N 2 0 295.387 -0.237 20 0 CBADRP CC1(C(=O)N2CCC(OC3C[NH2+]C3)CC2)C[NH2+]C1 ZINC001342491383 889783926 /nfs/dbraw/zinc/78/39/26/889783926.db2.gz QYKUNJLBNDPYBQ-UHFFFAOYSA-N 2 0 253.346 -0.425 20 0 CBADRP C[C@H]1[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC[N@@H+]1C ZINC001342571214 889794943 /nfs/dbraw/zinc/79/49/43/889794943.db2.gz VLVWOWVHKXTEQO-SFTQSGBHSA-N 2 0 267.373 -0.179 20 0 CBADRP O=C(CC[NH2+]CC1CC1)N1NC(=O)CC12CC[NH2+]CC2 ZINC001342569629 889795831 /nfs/dbraw/zinc/79/58/31/889795831.db2.gz LKCNGFAANWVJHW-UHFFFAOYSA-N 2 0 280.372 -0.238 20 0 CBADRP O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC001342620934 889800700 /nfs/dbraw/zinc/80/07/00/889800700.db2.gz DIDRSSOYDRMYNG-ITDFMYJTSA-N 2 0 266.389 -0.436 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001342630423 889803574 /nfs/dbraw/zinc/80/35/74/889803574.db2.gz QCUPBYZJASWCNY-TVQRCGJNSA-N 2 0 263.345 -0.280 20 0 CBADRP C[NH2+]CCC(=O)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001342645879 889807571 /nfs/dbraw/zinc/80/75/71/889807571.db2.gz TUTGMRSTXOUEQA-CYBMUJFWSA-N 2 0 263.345 -0.408 20 0 CBADRP [NH3+]C1CC2(C1)CC(NC(=O)C[C@H]1C[NH2+]CCO1)C2 ZINC001342665075 889813601 /nfs/dbraw/zinc/81/36/01/889813601.db2.gz SYQJSKLKPVPBDM-FOBZMYGMSA-N 2 0 253.346 -0.249 20 0 CBADRP C[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC[C@@H]1C[NH3+] ZINC001342738237 889823961 /nfs/dbraw/zinc/82/39/61/889823961.db2.gz KRKDVFFRHLUWRI-OPRDCNLKSA-N 2 0 254.334 -0.467 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)C[C@H]1C[NH3+] ZINC001342757208 889824025 /nfs/dbraw/zinc/82/40/25/889824025.db2.gz KJWWZLDWRNGWBQ-XQHKEYJVSA-N 2 0 266.389 -0.572 20 0 CBADRP [NH3+]C1(CNC(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC001342814550 889831996 /nfs/dbraw/zinc/83/19/96/889831996.db2.gz GPUSTRXBVKOACI-UHFFFAOYSA-N 2 0 264.333 -0.576 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N[C@H]1C[NH2+]CC12CC2 ZINC001342866742 889837753 /nfs/dbraw/zinc/83/77/53/889837753.db2.gz XSWOTBKDNGUEAS-NSHDSACASA-N 2 0 253.346 -0.377 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001342994265 889850338 /nfs/dbraw/zinc/85/03/38/889850338.db2.gz LAACIZVDVVGFNL-NNYUYHANSA-N 2 0 253.346 -0.711 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC001342991251 889851747 /nfs/dbraw/zinc/85/17/47/889851747.db2.gz AEEFHUBDRLTJIA-NWDGAFQWSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCC1([NH3+])CCCCC1 ZINC001343022572 889854244 /nfs/dbraw/zinc/85/42/44/889854244.db2.gz QEEUXQAEABIMSB-WDEREUQCSA-N 2 0 257.378 -0.019 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001343088532 889867551 /nfs/dbraw/zinc/86/75/51/889867551.db2.gz XOJBBKCXLOFNEQ-BJDJZHNGSA-N 2 0 252.362 -0.772 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC001343180144 889875978 /nfs/dbraw/zinc/87/59/78/889875978.db2.gz PLZUBYBMYCSFCU-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP COc1cccc([C@H](CNC(=O)CNCC[NH3+])[NH+](C)C)c1 ZINC001343354745 889892907 /nfs/dbraw/zinc/89/29/07/889892907.db2.gz UCVQEUKNHXDAJB-AWEZNQCLSA-N 2 0 294.399 -0.038 20 0 CBADRP [NH3+]CC1(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC(O)C1 ZINC001343392686 889898454 /nfs/dbraw/zinc/89/84/54/889898454.db2.gz RMRQNHPTLGCLQT-IBQNZTRDSA-N 2 0 267.373 -0.171 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC001343391927 889898824 /nfs/dbraw/zinc/89/88/24/889898824.db2.gz MGLGYZZQZDCARE-DGCLKSJQSA-N 2 0 269.389 -0.243 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001343394434 889898980 /nfs/dbraw/zinc/89/89/80/889898980.db2.gz ZCYLOKUYEGLBCS-YPMHNXCESA-N 2 0 273.377 -0.816 20 0 CBADRP C[NH+]1CCC(CNC(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001343407750 889902950 /nfs/dbraw/zinc/90/29/50/889902950.db2.gz KYAAGDPIQWVTKA-AWEZNQCLSA-N 2 0 269.389 -0.051 20 0 CBADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C[C@H](O)C[NH3+])C1 ZINC001343445750 889908430 /nfs/dbraw/zinc/90/84/30/889908430.db2.gz XYKXACOEQJYVDV-STQMWFEESA-N 2 0 269.389 -0.114 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1(C[NH3+])CC(O)C1 ZINC001343444824 889910491 /nfs/dbraw/zinc/91/04/91/889910491.db2.gz MPIAQUSYSQWZNV-LMAKZCADSA-N 2 0 267.373 -0.315 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC001343460386 889912676 /nfs/dbraw/zinc/91/26/76/889912676.db2.gz ZMRKCJLAOKSGFR-IVZWLZJFSA-N 2 0 257.334 -0.537 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001343475084 889915184 /nfs/dbraw/zinc/91/51/84/889915184.db2.gz UGLHSFKBDJCPMY-LLVKDONJSA-N 2 0 255.362 -0.312 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001343475085 889916484 /nfs/dbraw/zinc/91/64/84/889916484.db2.gz UGLHSFKBDJCPMY-NSHDSACASA-N 2 0 255.362 -0.312 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC001343468006 889916857 /nfs/dbraw/zinc/91/68/57/889916857.db2.gz QJQIIKFKPHEABU-UMSGYPCISA-N 2 0 266.389 -0.524 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC001343468016 889916894 /nfs/dbraw/zinc/91/68/94/889916894.db2.gz QJQIIKFKPHEABU-WUHRBBMRSA-N 2 0 266.389 -0.524 20 0 CBADRP C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)[C@H]1C[N@H+](C)CCN1C ZINC001343492034 889921498 /nfs/dbraw/zinc/92/14/98/889921498.db2.gz UTSIWRXHKLHHCB-YNEHKIRRSA-N 2 0 268.405 -0.121 20 0 CBADRP CC[NH2+]CC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001343566107 889931070 /nfs/dbraw/zinc/93/10/70/889931070.db2.gz FBBGLGKRGRFCEY-RYUDHWBXSA-N 2 0 255.362 -0.347 20 0 CBADRP CC[NH2+]CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001343566105 889931675 /nfs/dbraw/zinc/93/16/75/889931675.db2.gz FBBGLGKRGRFCEY-NWDGAFQWSA-N 2 0 255.362 -0.347 20 0 CBADRP C[NH2+]C1(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)CCC1 ZINC001343582218 889936193 /nfs/dbraw/zinc/93/61/93/889936193.db2.gz JJMZWSRNNRYWOV-NEPJUHHUSA-N 2 0 268.405 -0.121 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)[C@H]1C[NH2+]CCN1C ZINC001343652945 889941611 /nfs/dbraw/zinc/94/16/11/889941611.db2.gz MQKVLTNBDDKPCB-GFCCVEGCSA-N 2 0 254.378 -0.652 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NC[C@H]1CCC[NH2+]CC1 ZINC001343715882 889955955 /nfs/dbraw/zinc/95/59/55/889955955.db2.gz XDMPBJKSXJASTP-LBPRGKRZSA-N 2 0 254.378 -0.603 20 0 CBADRP O=C(N[C@H]1COC2(C[NH2+]C2)C1)C1([NH2+]C2CC2)CCC1 ZINC001344011687 889990097 /nfs/dbraw/zinc/99/00/97/889990097.db2.gz PLXGIPMYZWQAAT-LLVKDONJSA-N 2 0 265.357 -0.092 20 0 CBADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001344010860 889990845 /nfs/dbraw/zinc/99/08/45/889990845.db2.gz GOKJZBIZLOAQDD-HEKLCECKSA-N 2 0 265.357 -0.211 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC001344115969 890002775 /nfs/dbraw/zinc/00/27/75/890002775.db2.gz PZANCQGRUPGLEM-UTUOFQBUSA-N 2 0 257.378 -0.341 20 0 CBADRP [NH3+]CC1(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC(O)C1 ZINC001344103074 890003269 /nfs/dbraw/zinc/00/32/69/890003269.db2.gz UQFAPTRFERNJAG-VLEJYLOPSA-N 2 0 253.346 -0.574 20 0 CBADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001344094198 890004090 /nfs/dbraw/zinc/00/40/90/890004090.db2.gz YRINHMJOJZXKPW-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1=O ZINC001344128051 890008140 /nfs/dbraw/zinc/00/81/40/890008140.db2.gz KWHTWNGGWAXYOG-VXGBXAGGSA-N 2 0 294.399 -0.416 20 0 CBADRP CC[C@@]1(C(=O)N2CCC[C@H]([NH2+]CCO)C2)CC[NH2+]C1 ZINC001344373742 890019885 /nfs/dbraw/zinc/01/98/85/890019885.db2.gz IVXSSNREMKVAJZ-GXTWGEPZSA-N 2 0 269.389 -0.051 20 0 CBADRP [NH3+]CCNCC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC001344410677 890021958 /nfs/dbraw/zinc/02/19/58/890021958.db2.gz LBJCEYSLEOJIHY-CYBMUJFWSA-N 2 0 264.373 -0.389 20 0 CBADRP CC[NH2+]CC(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001344665845 890052463 /nfs/dbraw/zinc/05/24/63/890052463.db2.gz GLNKUEMKEXTINI-CWSCBRNRSA-N 2 0 269.345 -0.665 20 0 CBADRP [NH3+]CCNCC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001344730953 890056193 /nfs/dbraw/zinc/05/61/93/890056193.db2.gz JEYOJZPEKCIFRY-YUMQZZPRSA-N 2 0 268.283 -0.727 20 0 CBADRP COC[C@@]1(C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC[NH2+]C1 ZINC001344766948 890060533 /nfs/dbraw/zinc/06/05/33/890060533.db2.gz SWEQUWMGURFLGA-GXFFZTMASA-N 2 0 255.362 -0.192 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCNCC[NH2+]CC1)C1CCCCC1 ZINC001344989750 890088896 /nfs/dbraw/zinc/08/88/96/890088896.db2.gz VGEHRQOHFPMABD-CYBMUJFWSA-N 2 0 268.405 -0.085 20 0 CBADRP C[NH2+][C@@H](C(=O)N1CC[C@@H](CC[NH3+])C1)c1cnn(C)c1 ZINC001345000574 890089030 /nfs/dbraw/zinc/08/90/30/890089030.db2.gz WFFULEIWGPVFQP-ZYHUDNBSSA-N 2 0 265.361 -0.122 20 0 CBADRP C[C@@H]1CN(C(=O)Cc2csc(C[NH3+])n2)C[C@H]1[NH3+] ZINC001345025724 890089065 /nfs/dbraw/zinc/08/90/65/890089065.db2.gz CTDQCNKTYPLZKD-VXNVDRBHSA-N 2 0 254.359 -0.050 20 0 CBADRP C[C@H]1CN(C(=O)c2c(C[NH3+])cnn2C)CC[C@H]1C[NH3+] ZINC001345010806 890089537 /nfs/dbraw/zinc/08/95/37/890089537.db2.gz KZLBLXWVUMGLLL-UWVGGRQHSA-N 2 0 265.361 -0.064 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC001345098827 890098796 /nfs/dbraw/zinc/09/87/96/890098796.db2.gz WZKKXLLMRCMREI-QNWHQSFQSA-N 2 0 258.362 -0.260 20 0 CBADRP [NH3+]C[C@@]12CC[C@H]1CCCN2CC(=O)N1CC[NH2+]CC1 ZINC001345137333 890102785 /nfs/dbraw/zinc/10/27/85/890102785.db2.gz LTBKWCUYFUBYGS-OCCSQVGLSA-N 2 0 266.389 -0.379 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001345155079 890106566 /nfs/dbraw/zinc/10/65/66/890106566.db2.gz YPUZGAIFBPNEDB-SCZZXKLOSA-N 2 0 251.334 -0.264 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[C@H](C)[NH2+]C ZINC001345196776 890109990 /nfs/dbraw/zinc/10/99/90/890109990.db2.gz GEGNRLVJUARGJD-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001345380278 890124115 /nfs/dbraw/zinc/12/41/15/890124115.db2.gz HGTINMFMNVDVIN-MFKMUULPSA-N 2 0 255.362 -0.395 20 0 CBADRP O=C(NC[C@H]1CCCCC[NH2+]1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001345525401 890137973 /nfs/dbraw/zinc/13/79/73/890137973.db2.gz JQSYPJXRQOAEEM-SCRDCRAPSA-N 2 0 267.373 -0.129 20 0 CBADRP C[C@]1(C(=O)NC[C@@H]2CCCCC[NH2+]2)C[C@H](O)C[NH2+]1 ZINC001345525686 890138190 /nfs/dbraw/zinc/13/81/90/890138190.db2.gz MBBDZEVIAAOKAS-GMXVVIOVSA-N 2 0 255.362 -0.252 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCC[NH+]1CCCC1 ZINC001345536336 890139939 /nfs/dbraw/zinc/13/99/39/890139939.db2.gz JLJNAJHQXFVGPY-ZIAGYGMSSA-N 2 0 280.416 -0.023 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCC[C@@]12CC[NH2+]C2 ZINC001345627680 890148374 /nfs/dbraw/zinc/14/83/74/890148374.db2.gz YWTAIZWPAGEAIH-UONOGXRCSA-N 2 0 267.373 -0.155 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)NC[C@H]2C[NH2+]CCCO2)nn1 ZINC001345892926 890177189 /nfs/dbraw/zinc/17/71/89/890177189.db2.gz JEJFNAYBMSVQSD-LLVKDONJSA-N 2 0 296.375 -0.875 20 0 CBADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001345955144 890185721 /nfs/dbraw/zinc/18/57/21/890185721.db2.gz CGJLIMSAEUUAKS-JSGCOSHPSA-N 3 0 268.405 -0.146 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCCN(CC(=O)N2CC[NH2+]CC2)C1 ZINC001346018689 890198706 /nfs/dbraw/zinc/19/87/06/890198706.db2.gz ZJFWFQSKBZQMEY-NEPJUHHUSA-N 2 0 254.378 -0.523 20 0 CBADRP [NH3+]CCCNC(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC001346056952 890206695 /nfs/dbraw/zinc/20/66/95/890206695.db2.gz GHDAXSWCNUXPSJ-WOPDTQHZSA-N 2 0 255.362 -0.001 20 0 CBADRP CN(C)C1(C[NH2+]CCC(=O)NC(N)=O)CCOCC1 ZINC001346225466 890244501 /nfs/dbraw/zinc/24/45/01/890244501.db2.gz OZYWRLDNANREPT-UHFFFAOYSA-N 2 0 272.349 -0.728 20 0 CBADRP C/C(=C/C(=O)NCC[NH+](C)C)C(=O)NCC[NH+](C)C ZINC001346250020 890250805 /nfs/dbraw/zinc/25/08/05/890250805.db2.gz QQKVCYRBZXZTSL-KHPPLWFESA-N 2 0 270.377 -0.712 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH+](C)C1CC1 ZINC001346309684 890264526 /nfs/dbraw/zinc/26/45/26/890264526.db2.gz ZPWRTFDTLJHFML-AAEUAGOBSA-N 2 0 266.389 -0.415 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC001346319016 890268307 /nfs/dbraw/zinc/26/83/07/890268307.db2.gz JXSWAWAMUYVDKX-DTWKUNHWSA-N 2 0 264.320 -0.621 20 0 CBADRP C[C@H](CNC(=O)[C@H](N)CC[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC001346333143 890272236 /nfs/dbraw/zinc/27/22/36/890272236.db2.gz PGGIIHMNGUWGGE-ZIAGYGMSSA-N 2 0 299.463 -0.735 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H]([NH2+]CCC(=O)NC(N)=O)C1(C)C ZINC001346367941 890278849 /nfs/dbraw/zinc/27/88/49/890278849.db2.gz URHCICSQEJXRCQ-BDAKNGLRSA-N 2 0 256.350 -0.110 20 0 CBADRP O=C(NC[C@@H](CO)[NH2+]CCF)C12CCC[NH+](CCC1)C2 ZINC001448872023 913435081 /nfs/dbraw/zinc/43/50/81/913435081.db2.gz GACUJLDNPGDUSF-LBPRGKRZSA-N 2 0 287.379 -0.101 20 0 CBADRP [NH3+][C@H](CO)C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001346459991 890293906 /nfs/dbraw/zinc/29/39/06/890293906.db2.gz BXINAXUYFBRWOQ-GFCCVEGCSA-N 2 0 264.329 -0.514 20 0 CBADRP [NH3+][C@@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CC1 ZINC001346479894 890300833 /nfs/dbraw/zinc/30/08/33/890300833.db2.gz XUWQEMLYRNENHV-TUAOUCFPSA-N 2 0 252.362 -0.025 20 0 CBADRP CCO[C@H](CNC(=O)N[C@H]1CC[NH2+]C1)C[NH+](C)C ZINC001346502011 890309258 /nfs/dbraw/zinc/30/92/58/890309258.db2.gz RSFCJWAKNJUCCH-WDEREUQCSA-N 2 0 258.366 -0.386 20 0 CBADRP Cn1ccnc1CCC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC001346708516 890342951 /nfs/dbraw/zinc/34/29/51/890342951.db2.gz OHUOQBBBFXOJTE-CYBMUJFWSA-N 2 0 268.361 -0.219 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCCOC1 ZINC001448889566 913443229 /nfs/dbraw/zinc/44/32/29/913443229.db2.gz NVFATSJTDJNTHL-CHWSQXEVSA-N 2 0 287.404 -0.569 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCCCO1 ZINC001448888663 913443961 /nfs/dbraw/zinc/44/39/61/913443961.db2.gz MBXFOPBUISDIDN-OLZOCXBDSA-N 2 0 287.404 -0.426 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCCCO1 ZINC001448888660 913445408 /nfs/dbraw/zinc/44/54/08/913445408.db2.gz MBXFOPBUISDIDN-CHWSQXEVSA-N 2 0 287.404 -0.426 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)CC1C[NH+](C)C1 ZINC001347109234 890408234 /nfs/dbraw/zinc/40/82/34/890408234.db2.gz LTVCKDGACJHBDQ-YPMHNXCESA-N 2 0 266.389 -0.605 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)nn1 ZINC001347148424 890415511 /nfs/dbraw/zinc/41/55/11/890415511.db2.gz MHCGEOIJFCCCAB-RKDXNWHRSA-N 2 0 252.322 -0.906 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)nn1 ZINC001347148418 890416254 /nfs/dbraw/zinc/41/62/54/890416254.db2.gz MHCGEOIJFCCCAB-BDAKNGLRSA-N 2 0 252.322 -0.906 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)nn1 ZINC001347148422 890416407 /nfs/dbraw/zinc/41/64/07/890416407.db2.gz MHCGEOIJFCCCAB-IUCAKERBSA-N 2 0 252.322 -0.906 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001347156970 890417922 /nfs/dbraw/zinc/41/79/22/890417922.db2.gz FYPJNMUYKUEDGP-DRZSPHRISA-N 2 0 267.373 -0.049 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)CC2([NH3+])CC2)CC1 ZINC001347161964 890422231 /nfs/dbraw/zinc/42/22/31/890422231.db2.gz YKHNNPCFZFUVQW-UHFFFAOYSA-N 2 0 296.415 -0.025 20 0 CBADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CCO)CC1 ZINC001448918696 913458530 /nfs/dbraw/zinc/45/85/30/913458530.db2.gz KTQZCMDQDIVTOS-ZDUSSCGKSA-N 2 0 287.404 -0.834 20 0 CBADRP C[NH+](C)CCNc1ncnc(NCC[NH+](C)C)n1 ZINC001347856857 890530583 /nfs/dbraw/zinc/53/05/83/890530583.db2.gz YQQXJOVDUXIOEY-UHFFFAOYSA-N 2 0 253.354 -0.181 20 0 CBADRP C[C@@H](C(=O)N1CC[C@](O)(C[NH+](C)C)C1)n1ccnc1 ZINC001347930546 890536398 /nfs/dbraw/zinc/53/63/98/890536398.db2.gz GXCRTSVAXSIDKE-AAEUAGOBSA-N 2 0 266.345 -0.031 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001348416448 890621948 /nfs/dbraw/zinc/62/19/48/890621948.db2.gz XFBRWBVGMLNGHX-CHWSQXEVSA-N 2 0 268.405 -0.167 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001348575177 890653271 /nfs/dbraw/zinc/65/32/71/890653271.db2.gz WPMURBKSEDXUNX-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP Cc1cncn1CC(=O)NCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001348647597 890671795 /nfs/dbraw/zinc/67/17/95/890671795.db2.gz DSDHSCAMECJGIE-GFCCVEGCSA-N 2 0 293.371 -0.482 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001348958825 890736639 /nfs/dbraw/zinc/73/66/39/890736639.db2.gz YOZVUZSJIMVIJM-GOEBONIOSA-N 3 0 296.459 -0.331 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH+]1CC=CC1 ZINC001349075548 890756388 /nfs/dbraw/zinc/75/63/88/890756388.db2.gz XDGTUNIKBCJPDG-CHWSQXEVSA-N 2 0 264.373 -0.637 20 0 CBADRP C[C@H](CCCC[NH3+])NC(=O)c1cn(CCC[NH3+])nn1 ZINC001349226329 890780244 /nfs/dbraw/zinc/78/02/44/890780244.db2.gz CBZOOXBNOLKDIX-SNVBAGLBSA-N 2 0 268.365 -0.126 20 0 CBADRP C[C@@]1(C[NH+]2CCC(OCC(N)=O)CC2)CC[NH2+]C1 ZINC001349318641 890794780 /nfs/dbraw/zinc/79/47/80/890794780.db2.gz LBUMCPSTZRWGPZ-CYBMUJFWSA-N 2 0 255.362 -0.048 20 0 CBADRP COC1(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CC[NH2+]CC1 ZINC001349385876 890801872 /nfs/dbraw/zinc/80/18/72/890801872.db2.gz DNFPDMFAHIHYHW-WDEREUQCSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CC1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC001349372926 890801953 /nfs/dbraw/zinc/80/19/53/890801953.db2.gz OUWCAEXWQTZBTM-UHFFFAOYSA-N 2 0 263.345 -0.134 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCC(=O)N1CC[NH2+]CC1 ZINC001349399159 890805554 /nfs/dbraw/zinc/80/55/54/890805554.db2.gz YIGPBNPFQQDPHJ-MDZLAQPJSA-N 2 0 254.378 -0.606 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CCN3CC[NH2+]CC3)C2)nn1 ZINC001349399031 890805767 /nfs/dbraw/zinc/80/57/67/890805767.db2.gz VDXBCQGWBRCDJK-CQSZACIVSA-N 3 0 293.419 -0.721 20 0 CBADRP O=C(CN1CCC[C@@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001349398003 890807794 /nfs/dbraw/zinc/80/77/94/890807794.db2.gz BRWYDUMGRCZRNY-AWEZNQCLSA-N 2 0 266.389 -0.506 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC001349600316 890846451 /nfs/dbraw/zinc/84/64/51/890846451.db2.gz SKIVPCNTVHRRSP-CHWSQXEVSA-N 2 0 268.405 -0.119 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCN(C)C(=O)C[NH+]1CCCC1 ZINC001449078023 913496545 /nfs/dbraw/zinc/49/65/45/913496545.db2.gz HJJCAFPJFBNINI-UHFFFAOYSA-N 2 0 298.431 -0.001 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC001349808788 890895142 /nfs/dbraw/zinc/89/51/42/890895142.db2.gz QWKDZUBNCLGSSR-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001349808648 890895477 /nfs/dbraw/zinc/89/54/77/890895477.db2.gz QGNCMMPIPGHATG-JQWIXIFHSA-N 2 0 282.388 -0.560 20 0 CBADRP COCC[C@H]([NH3+])C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001349816035 890899132 /nfs/dbraw/zinc/89/91/32/890899132.db2.gz MHKGKPXLYSYWQO-JTQLQIEISA-N 2 0 269.349 -0.253 20 0 CBADRP C[NH2+]CCC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001349829075 890900485 /nfs/dbraw/zinc/90/04/85/890900485.db2.gz LVRMVOXKOOGXID-UHFFFAOYSA-N 2 0 264.333 -0.566 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC001349844431 890906571 /nfs/dbraw/zinc/90/65/71/890906571.db2.gz GJGQOLCHNQCTMP-KLPPZKSPSA-N 2 0 282.388 -0.608 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC001350031944 890925470 /nfs/dbraw/zinc/92/54/70/890925470.db2.gz NCPDIJVKFYLCGD-LPWJVIDDSA-N 2 0 294.399 -0.417 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001350420362 890981824 /nfs/dbraw/zinc/98/18/24/890981824.db2.gz XMAKQTSCJJHMND-IUCAKERBSA-N 2 0 251.334 -0.176 20 0 CBADRP C[NH+]1CCC(C(=O)N2CCOC3(C[NH2+]C3)C2)CC1 ZINC001350454184 890988978 /nfs/dbraw/zinc/98/89/78/890988978.db2.gz FBOORCZYJNKPDH-UHFFFAOYSA-N 2 0 253.346 -0.471 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C[NH2+]1 ZINC001351579881 891158770 /nfs/dbraw/zinc/15/87/70/891158770.db2.gz QHLIPOBZGULIPA-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC001351582853 891160630 /nfs/dbraw/zinc/16/06/30/891160630.db2.gz QYGFQZGYBOJDTL-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(CCNC(=O)CCC[NH+](C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001449170161 913528422 /nfs/dbraw/zinc/52/84/22/913528422.db2.gz FCWXAUDTIHYUHI-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCOCC[NH+](C)C ZINC001351731716 891177623 /nfs/dbraw/zinc/17/76/23/891177623.db2.gz NKVGFVZBKRXPNO-QWHCGFSZSA-N 2 0 284.404 -0.931 20 0 CBADRP [NH3+]CC1(O)CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC001351798637 891189594 /nfs/dbraw/zinc/18/95/94/891189594.db2.gz AUNKLXCNGSZVLO-SNVBAGLBSA-N 2 0 251.334 -0.449 20 0 CBADRP CN(CCNC(=O)CC[NH+](C)C)C(=O)C1([NH+](C)C)CCC1 ZINC001449190175 913534334 /nfs/dbraw/zinc/53/43/34/913534334.db2.gz MNMBJKKAJCCMRW-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC001352737089 891286809 /nfs/dbraw/zinc/28/68/09/891286809.db2.gz IEPYVOAVKXYJDV-WDEREUQCSA-N 2 0 254.378 -0.476 20 0 CBADRP CO[C@@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001449196862 913541966 /nfs/dbraw/zinc/54/19/66/913541966.db2.gz UNYAPSAQKSXBRK-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP NC(=O)C1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC001352776529 891293227 /nfs/dbraw/zinc/29/32/27/891293227.db2.gz NGCDKYGRUFQGHB-TZMCWYRMSA-N 2 0 267.373 -0.048 20 0 CBADRP CO[C@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001449196851 913542523 /nfs/dbraw/zinc/54/25/23/913542523.db2.gz UNYAPSAQKSXBRK-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)c2c(C[NH3+])cnn2C)CC[NH2+]1 ZINC001352839685 891306825 /nfs/dbraw/zinc/30/68/25/891306825.db2.gz QALSUUIZHPZFPI-SCZZXKLOSA-N 2 0 251.334 -0.251 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001352849694 891309620 /nfs/dbraw/zinc/30/96/20/891309620.db2.gz NWAOWWIWDXTQJC-JDEDCZITSA-N 2 0 265.357 -0.401 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)nn1 ZINC001352865406 891311863 /nfs/dbraw/zinc/31/18/63/891311863.db2.gz YYFZKABFDQAJRH-JQWIXIFHSA-N 2 0 264.333 -0.749 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC001352862018 891312586 /nfs/dbraw/zinc/31/25/86/891312586.db2.gz LRCDQRIDPFUSIT-RWMBFGLXSA-N 2 0 268.405 -0.040 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC001353056198 891348745 /nfs/dbraw/zinc/34/87/45/891348745.db2.gz TVWDNGRCBLGPLQ-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001353055161 891349978 /nfs/dbraw/zinc/34/99/78/891349978.db2.gz IFMBJYFNMCOHMP-NSHDSACASA-N 2 0 284.404 -0.171 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC001353075865 891354842 /nfs/dbraw/zinc/35/48/42/891354842.db2.gz FFZUCQMCFJPFDI-PRJMDXOYSA-N 2 0 269.267 -0.444 20 0 CBADRP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC001353092353 891357782 /nfs/dbraw/zinc/35/77/82/891357782.db2.gz IAHNPGADXPFXFE-KXNHARMFSA-N 2 0 267.373 -0.132 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001353201569 891380453 /nfs/dbraw/zinc/38/04/53/891380453.db2.gz RWIOFVFCAPSKCT-MFKMUULPSA-N 2 0 268.361 -0.001 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC001353237247 891383411 /nfs/dbraw/zinc/38/34/11/891383411.db2.gz BUQAWPNSXVOXAR-WDEREUQCSA-N 2 0 282.388 -0.465 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001353237219 891384355 /nfs/dbraw/zinc/38/43/55/891384355.db2.gz BMHOKDLYNZVXCH-QWHCGFSZSA-N 2 0 294.399 -0.450 20 0 CBADRP C[NH2+]CCCNC(=O)N1CC[NH2+]C[C@H]1CCOC ZINC001353414768 891423179 /nfs/dbraw/zinc/42/31/79/891423179.db2.gz YPRQXGAJDJSMIE-LLVKDONJSA-N 2 0 258.366 -0.384 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001353431256 891424450 /nfs/dbraw/zinc/42/44/50/891424450.db2.gz UVKDATSMVYKMGP-LOWVWBTDSA-N 2 0 268.361 -0.584 20 0 CBADRP C[NH+](C)[C@@]1(CNC(=O)C[C@@H](O)C[NH3+])CCSC1 ZINC001353483738 891432934 /nfs/dbraw/zinc/43/29/34/891432934.db2.gz ZNNAQMKLTCDBOF-MWLCHTKSSA-N 2 0 261.391 -0.750 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC/C=C\C[NH3+])C1 ZINC001353489111 891432997 /nfs/dbraw/zinc/43/29/97/891432997.db2.gz NHEFKESWLNLZIF-BYCRGOAPSA-N 2 0 270.377 -0.354 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC001353481787 891433800 /nfs/dbraw/zinc/43/38/00/891433800.db2.gz HSVLZPRLJYVOEM-QWHCGFSZSA-N 2 0 268.405 -0.262 20 0 CBADRP O=C(NCC1C[NH2+]C1)NC[C@H]1C[NH2+]CCC1(F)F ZINC001353490547 891434769 /nfs/dbraw/zinc/43/47/69/891434769.db2.gz XWFJZPUOXIVLJI-SECBINFHSA-N 2 0 262.304 -0.250 20 0 CBADRP CCC[NH+]1CCC(CNC(=O)CNCC[NH3+])CC1 ZINC001353509104 891437418 /nfs/dbraw/zinc/43/74/18/891437418.db2.gz VPWUIBAUCQDWDJ-UHFFFAOYSA-N 2 0 256.394 -0.227 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001353511380 891440751 /nfs/dbraw/zinc/44/07/51/891440751.db2.gz NIWIVUDACROMOJ-JTQLQIEISA-N 2 0 268.361 -0.632 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001353511381 891441122 /nfs/dbraw/zinc/44/11/22/891441122.db2.gz NIWIVUDACROMOJ-SNVBAGLBSA-N 2 0 268.361 -0.632 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001353535116 891444419 /nfs/dbraw/zinc/44/44/19/891444419.db2.gz OCQHIQPFVBRODG-AWEZNQCLSA-N 2 0 298.431 -0.493 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC001353535917 891444550 /nfs/dbraw/zinc/44/45/50/891444550.db2.gz WUGPBKDPUIBFTL-FOGDFJRCSA-N 2 0 257.378 -0.198 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001353602738 891453199 /nfs/dbraw/zinc/45/31/99/891453199.db2.gz SKNSTAMRQWLDTB-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CCN1C ZINC001353602481 891453454 /nfs/dbraw/zinc/45/34/54/891453454.db2.gz PFMWPNGIJOHGTD-VXGBXAGGSA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C[C@H](O)C[NH2+]1 ZINC001353654403 891456628 /nfs/dbraw/zinc/45/66/28/891456628.db2.gz IGWUUVAKHJBZOZ-MRBYEJRBSA-N 2 0 253.346 -0.690 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC001353647110 891456937 /nfs/dbraw/zinc/45/69/37/891456937.db2.gz ZTZFVKNEZQFPGC-AAEUAGOBSA-N 2 0 263.341 -0.301 20 0 CBADRP N[C@@H](CC(=O)NC[C@H]1C[NH2+]CCCO1)C(F)F ZINC001353665671 891458250 /nfs/dbraw/zinc/45/82/50/891458250.db2.gz ISJLBHBGJUMOJH-SFYZADRCSA-N 2 0 251.277 -0.536 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H]1C[NH2+]CCN1C ZINC001353727708 891467656 /nfs/dbraw/zinc/46/76/56/891467656.db2.gz LKPCOPCQQKNNRI-JHJVBQTASA-N 2 0 268.405 -0.311 20 0 CBADRP N[C@H](C[NH2+]CCCN1CC[NH2+]CC1)CC(F)F ZINC001353943029 891490598 /nfs/dbraw/zinc/49/05/98/891490598.db2.gz LCYQUXHIVWVLDY-JTQLQIEISA-N 2 0 250.337 -0.146 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCn2cncc2C1 ZINC001354018577 891498834 /nfs/dbraw/zinc/49/88/34/891498834.db2.gz HPZFKWXRKCVFGM-DGCLKSJQSA-N 2 0 264.329 -0.320 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCC[NH2+]C1CC1 ZINC001354131679 891519393 /nfs/dbraw/zinc/51/93/93/891519393.db2.gz MMGBQYFZFICIJR-DGCLKSJQSA-N 2 0 266.389 -0.367 20 0 CBADRP COCCOC[C@@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC001354185756 891528899 /nfs/dbraw/zinc/52/88/99/891528899.db2.gz VNYWBSUGQILRGI-VOAKCMCISA-N 2 0 258.362 -0.178 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CNCCOC2)CC1 ZINC001354238826 891545523 /nfs/dbraw/zinc/54/55/23/891545523.db2.gz YVWPDJCGWAGUCZ-AWEZNQCLSA-N 2 0 298.431 -0.445 20 0 CBADRP [NH3+]C[C@H](O)CNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC001354299084 891559805 /nfs/dbraw/zinc/55/98/05/891559805.db2.gz WESRTQNKYHNFJD-KXNHARMFSA-N 2 0 255.362 -0.267 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)C1 ZINC001354329247 891565693 /nfs/dbraw/zinc/56/56/93/891565693.db2.gz DCTXPJIZSBCBCT-UTUOFQBUSA-N 2 0 255.362 -0.443 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001354382740 891575030 /nfs/dbraw/zinc/57/50/30/891575030.db2.gz WVQXFRNZLXUAOX-CHWSQXEVSA-N 2 0 296.415 -0.360 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC001354409477 891578365 /nfs/dbraw/zinc/57/83/65/891578365.db2.gz GVGZDQARIXNJPA-VXGBXAGGSA-N 2 0 257.378 -0.074 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001354487731 891586799 /nfs/dbraw/zinc/58/67/99/891586799.db2.gz PMDAZRPUZVTEML-NTZNESFSSA-N 2 0 253.346 -0.546 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001354511212 891590706 /nfs/dbraw/zinc/59/07/06/891590706.db2.gz DLUITZDIOJRZQU-OPQQBVKSSA-N 2 0 266.345 -0.501 20 0 CBADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]([NH3+])C(C)(C)O ZINC001354580087 891595961 /nfs/dbraw/zinc/59/59/61/891595961.db2.gz GEXOIIRCYYDOST-HBNTYKKESA-N 2 0 255.362 -0.220 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001354682833 891605897 /nfs/dbraw/zinc/60/58/97/891605897.db2.gz IKRONHQFGPIENO-FXPVBKGRSA-N 2 0 263.345 -0.176 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCN2CCC([NH3+])CC2)CC[N@@H+]1C ZINC001354770743 891614780 /nfs/dbraw/zinc/61/47/80/891614780.db2.gz CRCJNCBLLBNONR-DGCLKSJQSA-N 2 0 268.405 -0.134 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001354780454 891615198 /nfs/dbraw/zinc/61/51/98/891615198.db2.gz CEJPIBHBPRGKQR-FXQIFTODSA-N 2 0 269.267 -0.302 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001354771179 891615429 /nfs/dbraw/zinc/61/54/29/891615429.db2.gz RBYMEPJBQCPJJH-XUTVFYLZSA-N 2 0 267.251 -0.549 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[C@H]1C(F)(F)F ZINC001354781725 891616168 /nfs/dbraw/zinc/61/61/68/891616168.db2.gz NUERPRKRYSNCSB-RNFRBKRXSA-N 2 0 267.251 -0.941 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)C23CCC(CC2)[NH2+]3)CC1 ZINC001354771383 891616329 /nfs/dbraw/zinc/61/63/29/891616329.db2.gz VMRHSOSNHNYQTL-UHFFFAOYSA-N 2 0 266.389 -0.190 20 0 CBADRP C[NH2+]CCN(C(=O)c1cn(CC[NH3+])nn1)C(C)C ZINC001354864022 891623039 /nfs/dbraw/zinc/62/30/39/891623039.db2.gz CNHRUYHWJLDHIY-UHFFFAOYSA-N 2 0 254.338 -0.693 20 0 CBADRP C[NH2+][C@@H](CNC(=O)[C@@H]([NH3+])COC)Cc1ccccc1 ZINC001354893257 891629057 /nfs/dbraw/zinc/62/90/57/891629057.db2.gz KMURJKAOXVKVOO-OLZOCXBDSA-N 2 0 265.357 -0.093 20 0 CBADRP CN(C(=O)CC[NH+](C)C)C1CC([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001449382740 913577874 /nfs/dbraw/zinc/57/78/74/913577874.db2.gz HBKBUJCCXSWNJS-WXRRBKDZSA-N 2 0 296.415 -0.252 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001354959684 891635148 /nfs/dbraw/zinc/63/51/48/891635148.db2.gz ZXOBNNKHPADQHM-DMDPSCGWSA-N 2 0 255.362 -0.001 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001354959686 891635230 /nfs/dbraw/zinc/63/52/30/891635230.db2.gz ZXOBNNKHPADQHM-NQBHXWOUSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H]([NH3+])CC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001354992022 891637348 /nfs/dbraw/zinc/63/73/48/891637348.db2.gz SSBAOBUVGASGFK-NXEZZACHSA-N 2 0 269.345 -0.475 20 0 CBADRP O=C([C@@H]1[NH2+]CCc2ccccc21)N1CCNCC[NH2+]CC1 ZINC001355027645 891637927 /nfs/dbraw/zinc/63/79/27/891637927.db2.gz HNAZUCDNTNPXBG-OAHLLOKOSA-N 2 0 288.395 -0.105 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC2([NH3+])CC2)CC1=O ZINC001355297790 891669195 /nfs/dbraw/zinc/66/91/95/891669195.db2.gz JICVTLOPCWAJSU-JTQLQIEISA-N 2 0 268.361 -0.996 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)COC1CC[NH2+]CC1 ZINC001355364984 891672031 /nfs/dbraw/zinc/67/20/31/891672031.db2.gz SZWODAVVWHVGAC-NSHDSACASA-N 2 0 255.362 -0.131 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001355520865 891686612 /nfs/dbraw/zinc/68/66/12/891686612.db2.gz QDERZKIFDKYRLS-RYUDHWBXSA-N 2 0 254.378 -0.462 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001355520864 891687183 /nfs/dbraw/zinc/68/71/83/891687183.db2.gz QDERZKIFDKYRLS-NWDGAFQWSA-N 2 0 254.378 -0.462 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C[C@@H](C[NH3+])OC ZINC001355557892 891688992 /nfs/dbraw/zinc/68/89/92/891688992.db2.gz DJJBRHMPQTYNAF-MNOVXSKESA-N 2 0 259.350 -0.813 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)C3(O)C[NH2+]C3)C[C@H]2C1 ZINC001355709529 891700595 /nfs/dbraw/zinc/70/05/95/891700595.db2.gz XVCFKGJOWNYCLD-QJPTWQEYSA-N 2 0 267.373 -0.491 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)C1C[NH2+]C1 ZINC001356049955 891721594 /nfs/dbraw/zinc/72/15/94/891721594.db2.gz QICLDAUSKYSNOC-ONGXEEELSA-N 2 0 263.345 -0.042 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC[C@@H](O)C2CC2)CC1 ZINC001356113672 891730868 /nfs/dbraw/zinc/73/08/68/891730868.db2.gz NHUWNOAEMBXOSZ-UONOGXRCSA-N 2 0 271.405 -0.655 20 0 CBADRP [NH3+]C1(CC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC001356228492 891741528 /nfs/dbraw/zinc/74/15/28/891741528.db2.gz RYTGSXCGWFAXEO-RYUDHWBXSA-N 2 0 267.373 -0.075 20 0 CBADRP C[S@](=O)C1(C(=O)N[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]CC1 ZINC001356433261 891757944 /nfs/dbraw/zinc/75/79/44/891757944.db2.gz KADZDZJCTYLYEX-BTKFHORUSA-N 2 0 259.375 -0.907 20 0 CBADRP C[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001356437365 891759540 /nfs/dbraw/zinc/75/95/40/891759540.db2.gz CBPHPXVVUSONKX-JOCQHMNTSA-N 2 0 296.415 -0.312 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1CCC[NH2+]CC1 ZINC001356454620 891762412 /nfs/dbraw/zinc/76/24/12/891762412.db2.gz TYUBKQWTMWCXMP-NWDGAFQWSA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@]1(C(=O)NCc2ccccc2C[NH3+])C[C@H](O)C[NH2+]1 ZINC001356499223 891773894 /nfs/dbraw/zinc/77/38/94/891773894.db2.gz NLZIHULYALHBKK-GXTWGEPZSA-N 2 0 263.341 -0.126 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)[C@H]1[NH2+]CC12CCOCC2 ZINC001356498982 891773927 /nfs/dbraw/zinc/77/39/27/891773927.db2.gz RUOAXRDPGHMMGV-GFCCVEGCSA-N 2 0 267.373 -0.129 20 0 CBADRP CCOCC[C@H](O)C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC001356582833 891779193 /nfs/dbraw/zinc/77/91/93/891779193.db2.gz GYYZXWZVMGFUNO-KGLIPLIRSA-N 2 0 273.421 -0.001 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCN2CC=CCC2)CC1 ZINC001356598187 891783622 /nfs/dbraw/zinc/78/36/22/891783622.db2.gz YPBATXJTCAWMBY-HNNXBMFYSA-N 2 0 282.432 -0.554 20 0 CBADRP Cc1nnc(CC[NH2+]C[C@H](O)C[NH+]2CCCC2)n1C ZINC001357168037 891854330 /nfs/dbraw/zinc/85/43/30/891854330.db2.gz ZAJXHLSSDMPERR-LBPRGKRZSA-N 2 0 267.377 -0.288 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C23CC(C2)C[NH2+]3)C1 ZINC001357384006 891882646 /nfs/dbraw/zinc/88/26/46/891882646.db2.gz CWVUMHQFHVOWRM-MQYJIDSJSA-N 2 0 294.399 -0.558 20 0 CBADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)CNCC[NH3+])C1 ZINC001357427937 891889539 /nfs/dbraw/zinc/88/95/39/891889539.db2.gz HUGVECFUQXYJKJ-ZDUSSCGKSA-N 2 0 268.405 -0.275 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001357431412 891892569 /nfs/dbraw/zinc/89/25/69/891892569.db2.gz USQFNWIYIPHNPV-AWEZNQCLSA-N 2 0 297.447 -0.966 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NCC1(C)CC[NH2+]CC1 ZINC001357445620 891892795 /nfs/dbraw/zinc/89/27/95/891892795.db2.gz MQFCVGQPBNLIHC-NSHDSACASA-N 2 0 254.378 -0.604 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC001357430721 891893007 /nfs/dbraw/zinc/89/30/07/891893007.db2.gz JKOQVDOWNSZIJV-SCRDCRAPSA-N 2 0 266.389 -0.652 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C12CCC(CC1)[NH2+]2 ZINC001357431787 891894690 /nfs/dbraw/zinc/89/46/90/891894690.db2.gz XULJZOBXATUZDC-MBHSVXNSSA-N 2 0 266.389 -0.367 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCNCC[NH2+]CC1 ZINC001357462325 891897124 /nfs/dbraw/zinc/89/71/24/891897124.db2.gz FSPIXTYUGKSMQR-STQMWFEESA-N 2 0 283.420 -0.292 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC001357465428 891897716 /nfs/dbraw/zinc/89/77/16/891897716.db2.gz ZTTVWRQEDAMBRN-UTUOFQBUSA-N 2 0 257.378 -0.210 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC001357457406 891897527 /nfs/dbraw/zinc/89/75/27/891897527.db2.gz JEXURISTIXVKFE-IVZWLZJFSA-N 2 0 257.334 -0.524 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001357462264 891898407 /nfs/dbraw/zinc/89/84/07/891898407.db2.gz DGXDRDGFCFEZPH-GHMZBOCLSA-N 2 0 270.377 -0.702 20 0 CBADRP CCC[NH2+]CCNC(=O)N1CCNCC[NH2+]CC1 ZINC001357464384 891898636 /nfs/dbraw/zinc/89/86/36/891898636.db2.gz UIWXTIOXNZIGFH-UHFFFAOYSA-N 2 0 257.382 -0.810 20 0 CBADRP O=C(NCCC[C@H]1CCC[NH2+]1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001357474899 891904120 /nfs/dbraw/zinc/90/41/20/891904120.db2.gz SAHDLYNPKOWLSM-VXGBXAGGSA-N 2 0 294.399 -0.545 20 0 CBADRP [NH3+]CCCOCCNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001357532875 891910884 /nfs/dbraw/zinc/91/08/84/891910884.db2.gz RQJNCTPCKMKIAZ-OUAUKWLOSA-N 2 0 256.350 -0.456 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001357619647 891919535 /nfs/dbraw/zinc/91/95/35/891919535.db2.gz OOYQGLXWAUDKCK-GXFFZTMASA-N 2 0 257.378 -0.019 20 0 CBADRP COC[C@]1(C(=O)NCCC[NH2+]C2CC2)C[NH2+]CCO1 ZINC001357678475 891925615 /nfs/dbraw/zinc/92/56/15/891925615.db2.gz GKXIBDVKQHWPFZ-ZDUSSCGKSA-N 2 0 271.361 -0.750 20 0 CBADRP C[C@]1(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)C[C@H](O)C[NH2+]1 ZINC001357662013 891927966 /nfs/dbraw/zinc/92/79/66/891927966.db2.gz YFRCDYKRNFWDMO-GMXVVIOVSA-N 2 0 267.373 -0.110 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001357661485 891928354 /nfs/dbraw/zinc/92/83/54/891928354.db2.gz WBEWADADISFAGA-DTWKUNHWSA-N 2 0 261.391 -0.704 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@H]1C[C@H](C[NH3+])C1)C2 ZINC001357740066 891933088 /nfs/dbraw/zinc/93/30/88/891933088.db2.gz HIHSBRDJGXKGAI-MRBYEJRBSA-N 2 0 252.362 -0.025 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC001357810771 891936640 /nfs/dbraw/zinc/93/66/40/891936640.db2.gz MKHJWBKNFDVBRS-LPEHRKFASA-N 2 0 257.334 -0.395 20 0 CBADRP [NH3+]C[C@H](C(=O)NCC1(O)C[NH2+]C1)c1ccc(F)cc1 ZINC001357821119 891936503 /nfs/dbraw/zinc/93/65/03/891936503.db2.gz RFCIQDCYCQTWDW-NSHDSACASA-N 2 0 267.304 -0.682 20 0 CBADRP [NH3+]C[C@H](O)CNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC001357861431 891939369 /nfs/dbraw/zinc/93/93/69/891939369.db2.gz ONMNXPQWVSEQDP-LBPRGKRZSA-N 2 0 263.341 -0.689 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC001357908934 891944361 /nfs/dbraw/zinc/94/43/61/891944361.db2.gz AOZFNSOHIFWWJE-TYNCELHUSA-N 2 0 294.399 -0.477 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001357946539 891949978 /nfs/dbraw/zinc/94/99/78/891949978.db2.gz ZBDZURKDYJJBHJ-NEPJUHHUSA-N 2 0 257.378 -0.067 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)c1ccccc1CC[NH3+] ZINC001357966045 891950665 /nfs/dbraw/zinc/95/06/65/891950665.db2.gz BUNOTIWZZNEQLF-LBPRGKRZSA-N 2 0 265.357 -0.160 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001357969178 891953697 /nfs/dbraw/zinc/95/36/97/891953697.db2.gz IBKPMTMROTVKNU-WUHRBBMRSA-N 2 0 264.373 -0.663 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC001358070109 891965907 /nfs/dbraw/zinc/96/59/07/891965907.db2.gz GLIWXODQBOWIIP-KBVBSXBZSA-N 2 0 263.345 -0.176 20 0 CBADRP C[NH2+]CCC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001358079015 891969187 /nfs/dbraw/zinc/96/91/87/891969187.db2.gz DXMXKMPOUURQJN-NSHDSACASA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC001358070567 891969413 /nfs/dbraw/zinc/96/94/13/891969413.db2.gz SZIQQSYZTYEBFN-MDZLAQPJSA-N 2 0 255.362 -0.286 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001358119089 891971323 /nfs/dbraw/zinc/97/13/23/891971323.db2.gz KJXFNGFHSUAOIN-BWZBUEFSSA-N 2 0 269.267 -0.566 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001358111922 891971750 /nfs/dbraw/zinc/97/17/50/891971750.db2.gz TYBXGBQFYVLZMF-ZMLRMANQSA-N 2 0 252.362 -0.866 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001358119097 891971989 /nfs/dbraw/zinc/97/19/89/891971989.db2.gz KJXFNGFHSUAOIN-GJMOJQLCSA-N 2 0 269.267 -0.566 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001358110936 891973154 /nfs/dbraw/zinc/97/31/54/891973154.db2.gz DHQCVNXKTOMQHJ-FRRDWIJNSA-N 2 0 266.389 -0.619 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC001358110595 891973268 /nfs/dbraw/zinc/97/32/68/891973268.db2.gz QOHJXNUCBRUQRY-NSHDSACASA-N 2 0 252.318 -0.263 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC[C@H]([NH3+])C1 ZINC001358129835 891974511 /nfs/dbraw/zinc/97/45/11/891974511.db2.gz FTVKEDYBMCTYML-SDDRHHMPSA-N 2 0 252.362 -0.676 20 0 CBADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCNCC[NH2+]CC1 ZINC001358239213 891981754 /nfs/dbraw/zinc/98/17/54/891981754.db2.gz XXBPEBQLQUORDA-AGUYFDCRSA-N 2 0 280.416 -0.072 20 0 CBADRP CC[NH2+]CC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001358213068 891983154 /nfs/dbraw/zinc/98/31/54/891983154.db2.gz JYZKIZABQJSIMB-JTQLQIEISA-N 2 0 269.345 -0.603 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC001358252067 891986436 /nfs/dbraw/zinc/98/64/36/891986436.db2.gz UBZWPMVASCWXHS-NEPJUHHUSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)CC2CC[NH2+]CC2)C1 ZINC001358249082 891986535 /nfs/dbraw/zinc/98/65/35/891986535.db2.gz BGUDLNOJXNOTGM-CYBMUJFWSA-N 2 0 255.362 -0.312 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)=NO1 ZINC001358317868 891992155 /nfs/dbraw/zinc/99/21/55/891992155.db2.gz MCAJKHUQNOJMRO-ZWNOBZJWSA-N 2 0 266.345 -0.165 20 0 CBADRP CCN1CC[C@H]1C(=O)NC1CCN(CC(=O)NC)CC1 ZINC001361629266 892172672 /nfs/dbraw/zinc/17/26/72/892172672.db2.gz SNHBJCZXDIJTQR-LBPRGKRZSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H](CC[NH+](C)C)C(=O)NCCN1CC[NH+](C)CC1 ZINC001361876819 892288433 /nfs/dbraw/zinc/28/84/33/892288433.db2.gz GLZMFFMXOQQWOT-ZDUSSCGKSA-N 2 0 270.421 -0.062 20 0 CBADRP C[C@H](CC[NH+](C)C)C(=O)NCCN1CC[NH+](C)CC1 ZINC001361876817 892288520 /nfs/dbraw/zinc/28/85/20/892288520.db2.gz GLZMFFMXOQQWOT-CYBMUJFWSA-N 2 0 270.421 -0.062 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001362317327 892590773 /nfs/dbraw/zinc/59/07/73/892590773.db2.gz CTTHNEQLUHCEJI-WCQYABFASA-N 2 0 273.352 -0.397 20 0 CBADRP C[C@H](NC(=O)CC[NH+](C)C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001450387338 913689185 /nfs/dbraw/zinc/68/91/85/913689185.db2.gz NMOVHFNZHXKBGE-LBPRGKRZSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC(N3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC001362480477 892712539 /nfs/dbraw/zinc/71/25/39/892712539.db2.gz JOVQUJSKHWNKRP-TZMCWYRMSA-N 2 0 280.416 -0.215 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001362484752 892718543 /nfs/dbraw/zinc/71/85/43/892718543.db2.gz SYCCFFOHVGDTAZ-ZDUSSCGKSA-N 2 0 280.416 -0.214 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)C[C@H](C)[NH2+]1 ZINC001363024433 893276073 /nfs/dbraw/zinc/27/60/73/893276073.db2.gz PROFPCRPAGOYIU-REWJHTLYSA-N 2 0 280.416 -0.026 20 0 CBADRP CN1CCN(CC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001363127508 893384571 /nfs/dbraw/zinc/38/45/71/893384571.db2.gz LIGFLKJSDIFDQT-CQSZACIVSA-N 2 0 298.431 -0.803 20 0 CBADRP CN1CCN(CC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001363127506 893384813 /nfs/dbraw/zinc/38/48/13/893384813.db2.gz LIGFLKJSDIFDQT-AWEZNQCLSA-N 2 0 298.431 -0.803 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCC(=O)O2)C[C@H]1C[NH+](C)C ZINC001363147944 893408016 /nfs/dbraw/zinc/40/80/16/893408016.db2.gz SKAWAKMDLJMCPU-JHJVBQTASA-N 2 0 297.399 -0.110 20 0 CBADRP O[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CC1(O)CCOCC1 ZINC001363200377 893450057 /nfs/dbraw/zinc/45/00/57/893450057.db2.gz PZVTYCQWDHCNQQ-XQQFMLRXSA-N 2 0 270.373 -0.570 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1C[NH+](C)C ZINC001363570722 893807875 /nfs/dbraw/zinc/80/78/75/893807875.db2.gz UYNNYZVEMDAOKA-JHJVBQTASA-N 2 0 296.415 -0.537 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@H]2CC[NH+](C)[C@H]2C1 ZINC001363791764 893994733 /nfs/dbraw/zinc/99/47/33/893994733.db2.gz NORIIKWOSIIBCQ-RDBSUJKOSA-N 2 0 271.405 -0.439 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H]3CNC(=O)C3)CC2)C1 ZINC001363790496 893995813 /nfs/dbraw/zinc/99/58/13/893995813.db2.gz DBIYYHTWXMWISA-ZIAGYGMSSA-N 2 0 280.416 -0.166 20 0 CBADRP CCc1nccn1CCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001364060849 894169500 /nfs/dbraw/zinc/16/95/00/894169500.db2.gz TYYWBKJHWAEMAL-OLZOCXBDSA-N 2 0 291.399 -0.050 20 0 CBADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](O)COC)CC1 ZINC001364438148 894421605 /nfs/dbraw/zinc/42/16/05/894421605.db2.gz KSHIGDCQQKHPHT-CYBMUJFWSA-N 2 0 273.421 -0.001 20 0 CBADRP Cn1ncc(CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC001364491187 894456038 /nfs/dbraw/zinc/45/60/38/894456038.db2.gz RYKPHVVHUYGZIM-UHFFFAOYSA-N 2 0 296.419 -0.301 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001365786425 895123654 /nfs/dbraw/zinc/12/36/54/895123654.db2.gz UMHIVWDNADBXQP-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001365827113 895127877 /nfs/dbraw/zinc/12/78/77/895127877.db2.gz RGVAGALFESKNQQ-UTUOFQBUSA-N 2 0 284.404 -0.314 20 0 CBADRP Cn1ncnc1C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001365821671 895127984 /nfs/dbraw/zinc/12/79/84/895127984.db2.gz PYXTVESTTVIKFL-TXEJJXNPSA-N 2 0 294.403 -0.249 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001365834878 895131640 /nfs/dbraw/zinc/13/16/40/895131640.db2.gz QWKXCPHZDIGZMC-SYQHCUMBSA-N 2 0 299.415 -0.428 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001365940037 895145653 /nfs/dbraw/zinc/14/56/53/895145653.db2.gz NIDGTAOFNNIFRV-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001365953395 895148775 /nfs/dbraw/zinc/14/87/75/895148775.db2.gz SUNULMCJPRXKBB-UONOGXRCSA-N 2 0 299.415 -0.472 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001365971858 895157288 /nfs/dbraw/zinc/15/72/88/895157288.db2.gz CFOTZFPDGDFSBI-VXGBXAGGSA-N 2 0 273.377 -0.864 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001366095278 895188275 /nfs/dbraw/zinc/18/82/75/895188275.db2.gz XXIGNSHLNHUDEG-YNEHKIRRSA-N 2 0 285.388 -0.722 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001366104002 895191114 /nfs/dbraw/zinc/19/11/14/895191114.db2.gz WMABOOHFNGXION-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001366129570 895200611 /nfs/dbraw/zinc/20/06/11/895200611.db2.gz IGQHICCFHIKWIB-HAQNSBGRSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001366137099 895200806 /nfs/dbraw/zinc/20/08/06/895200806.db2.gz NSCGDHZJLBMEQO-SRVKXCTJSA-N 2 0 284.404 -0.301 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001366128113 895202141 /nfs/dbraw/zinc/20/21/41/895202141.db2.gz NSQPVGBBYIEMFO-JHJVBQTASA-N 2 0 296.415 -0.301 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001366130148 895202346 /nfs/dbraw/zinc/20/23/46/895202346.db2.gz ZZESWDAPABHHAL-ZDEQEGDKSA-N 2 0 285.388 -0.818 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001366157711 895210307 /nfs/dbraw/zinc/21/03/07/895210307.db2.gz XVFTVNZKTLNRRQ-GRYCIOLGSA-N 2 0 282.388 -0.594 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001366166870 895213097 /nfs/dbraw/zinc/21/30/97/895213097.db2.gz JCMJYSHMLYRVHE-TXEJJXNPSA-N 2 0 282.388 -0.416 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001366182050 895216059 /nfs/dbraw/zinc/21/60/59/895216059.db2.gz ANQXNIXFOOAZQH-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001366288249 895263416 /nfs/dbraw/zinc/26/34/16/895263416.db2.gz PMZKJFNHSGUSDR-NWDGAFQWSA-N 2 0 287.404 -0.428 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001366330253 895280186 /nfs/dbraw/zinc/28/01/86/895280186.db2.gz YTRWNOKGEGCQQN-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC(N)=O ZINC001366334728 895284274 /nfs/dbraw/zinc/28/42/74/895284274.db2.gz VZWJJXYGGRLYCD-JTQLQIEISA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)NC1CC1 ZINC001366338176 895285639 /nfs/dbraw/zinc/28/56/39/895285639.db2.gz AQYYOPWPRXZITL-LLVKDONJSA-N 2 0 294.399 -0.545 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C1CC1 ZINC001366358229 895291970 /nfs/dbraw/zinc/29/19/70/895291970.db2.gz NPFHODZCHQPVAA-NWDGAFQWSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+][C@@H](C)C(N)=O ZINC001366364345 895293326 /nfs/dbraw/zinc/29/33/26/895293326.db2.gz NXRWKRFNVGGVBS-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001366388629 895306262 /nfs/dbraw/zinc/30/62/62/895306262.db2.gz KFJIYWAIMIZHCL-STQMWFEESA-N 2 0 287.404 -0.476 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001366396821 895310475 /nfs/dbraw/zinc/31/04/75/895310475.db2.gz XMRCNYCWMRGZQW-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(N)=O ZINC001366482100 895332997 /nfs/dbraw/zinc/33/29/97/895332997.db2.gz DFOAQUCWYUESAH-JTQLQIEISA-N 2 0 270.377 -0.702 20 0 CBADRP CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC)[NH+](C)C ZINC001366508739 895338013 /nfs/dbraw/zinc/33/80/13/895338013.db2.gz LHMQJEDSWZKXQC-MNOVXSKESA-N 2 0 272.393 -0.443 20 0 CBADRP CC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)NC)[NH+](C)C ZINC001366508745 895342242 /nfs/dbraw/zinc/34/22/42/895342242.db2.gz LHMQJEDSWZKXQC-QWRGUYRKSA-N 2 0 272.393 -0.443 20 0 CBADRP CNC(=O)CN(C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001366587740 895394027 /nfs/dbraw/zinc/39/40/27/895394027.db2.gz YDUFEOIDEAOWNZ-NSHDSACASA-N 2 0 270.377 -0.878 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCN(C)C1=O ZINC001366602629 895405140 /nfs/dbraw/zinc/40/51/40/895405140.db2.gz HFUGQMVIUMULBE-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1CCNC1=O ZINC001366618186 895410366 /nfs/dbraw/zinc/41/03/66/895410366.db2.gz XNAQBYJBMZWDCO-STQMWFEESA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)CN1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001366651717 895422881 /nfs/dbraw/zinc/42/28/81/895422881.db2.gz NCBSPJILEILXII-JSGCOSHPSA-N 2 0 298.431 -0.101 20 0 CBADRP C[N@H+](CC(=O)NC[C@H]1CC[NH+](CC(N)=O)C1)CC(C)(C)C ZINC001366698881 895436415 /nfs/dbraw/zinc/43/64/15/895436415.db2.gz NMUYTSRVBATQOA-GFCCVEGCSA-N 2 0 298.431 -0.112 20 0 CBADRP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)C1CC[NH+](C)CC1 ZINC001366775485 895456498 /nfs/dbraw/zinc/45/64/98/895456498.db2.gz NGWNFQXYOZHACM-CYBMUJFWSA-N 2 0 296.415 -0.393 20 0 CBADRP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)C1CC[NH+](C)CC1 ZINC001366775489 895457592 /nfs/dbraw/zinc/45/75/92/895457592.db2.gz NGWNFQXYOZHACM-ZDUSSCGKSA-N 2 0 296.415 -0.393 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)C1=O ZINC001366777514 895462007 /nfs/dbraw/zinc/46/20/07/895462007.db2.gz RTNBMYXZZOESMP-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001367011248 895526057 /nfs/dbraw/zinc/52/60/57/895526057.db2.gz RWRGCVBBHJJRFI-STQMWFEESA-N 2 0 299.415 -0.332 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001367015505 895530031 /nfs/dbraw/zinc/53/00/31/895530031.db2.gz HTSUSVYHZDRIRR-QWHCGFSZSA-N 2 0 299.415 -0.474 20 0 CBADRP CNC(=O)C[NH2+]C[C@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001367196138 895581322 /nfs/dbraw/zinc/58/13/22/895581322.db2.gz VCSRSBAZZRRJRY-AWEZNQCLSA-N 2 0 284.404 -0.441 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001367221868 895585730 /nfs/dbraw/zinc/58/57/30/895585730.db2.gz ITTXATNXZLSSHM-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C)c1nnnn1C ZINC001367267898 895599940 /nfs/dbraw/zinc/59/99/40/895599940.db2.gz FWMNQNQICGJRKU-GHMZBOCLSA-N 2 0 297.407 -0.435 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001367270922 895601318 /nfs/dbraw/zinc/60/13/18/895601318.db2.gz HAQDNGFHKOWWOK-AAEUAGOBSA-N 2 0 296.419 -0.003 20 0 CBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]CC(N)=O ZINC001367268138 895601911 /nfs/dbraw/zinc/60/19/11/895601911.db2.gz HHVZPLSWEWICIN-SNVBAGLBSA-N 2 0 270.377 -0.845 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367280537 895602782 /nfs/dbraw/zinc/60/27/82/895602782.db2.gz AIYLUISJXJLLKZ-QWHCGFSZSA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+][C@@H]1CCN(C)C1=O ZINC001367286027 895606003 /nfs/dbraw/zinc/60/60/03/895606003.db2.gz HMJIFSGRXCEVBQ-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001367401857 895632024 /nfs/dbraw/zinc/63/20/24/895632024.db2.gz GFNAVPKWFZDNHD-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001367416948 895636591 /nfs/dbraw/zinc/63/65/91/895636591.db2.gz SFWKXLXXQARAHM-NSHDSACASA-N 2 0 272.393 -0.491 20 0 CBADRP CC(C)[C@H](CNC(=O)Cc1c[nH]cn1)[NH2+][C@H](C)C(N)=O ZINC001367488163 895641262 /nfs/dbraw/zinc/64/12/62/895641262.db2.gz WWMUTLAJUGAXCL-KOLCDFICSA-N 2 0 281.360 -0.444 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CC(N)=O)CCC1 ZINC001367558100 895662252 /nfs/dbraw/zinc/66/22/52/895662252.db2.gz BRDUZPJNQRXYEP-RYUDHWBXSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCCCO1 ZINC001367601027 895694728 /nfs/dbraw/zinc/69/47/28/895694728.db2.gz LDDBQOKYCNYUFW-OLZOCXBDSA-N 2 0 287.404 -0.426 20 0 CBADRP CC[NH2+]C[C@H](O)CNC(=O)COC1CC[NH+](C)CC1 ZINC001367618247 895703555 /nfs/dbraw/zinc/70/35/55/895703555.db2.gz OXFHOTYFYIKJJW-NSHDSACASA-N 2 0 273.377 -0.816 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccnc1)[NH+](C)C ZINC001367617529 895704566 /nfs/dbraw/zinc/70/45/66/895704566.db2.gz BVLZVTUVXFOPPT-KGLIPLIRSA-N 2 0 294.399 -0.012 20 0 CBADRP CC[C@H](C(=O)N(CC)CC[NH2+][C@H](C)C(N)=O)[NH+](C)C ZINC001367686526 895743234 /nfs/dbraw/zinc/74/32/34/895743234.db2.gz GVGXSLHIONZPHK-GHMZBOCLSA-N 2 0 272.393 -0.362 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001367696829 895754265 /nfs/dbraw/zinc/75/42/65/895754265.db2.gz AIHQKFJYBBKTSW-WOPDTQHZSA-N 2 0 286.420 -0.102 20 0 CBADRP CC[C@H](C(=O)N(CC)CC[NH2+][C@@H](C)C(=O)NC)[NH+](C)C ZINC001367699080 895756575 /nfs/dbraw/zinc/75/65/75/895756575.db2.gz XTHYKYDYUGOXCW-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367711393 895757847 /nfs/dbraw/zinc/75/78/47/895757847.db2.gz FLNDBURUDKBBPC-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001367706795 895761646 /nfs/dbraw/zinc/76/16/46/895761646.db2.gz SMQBKZUTKNATMI-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367708561 895762258 /nfs/dbraw/zinc/76/22/58/895762258.db2.gz XQMJXPPXBAYSBY-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001367739173 895782923 /nfs/dbraw/zinc/78/29/23/895782923.db2.gz GNUKMBMUQXHHCN-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@@H]([NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C(N)=O ZINC001367755310 895789490 /nfs/dbraw/zinc/78/94/90/895789490.db2.gz MPCCKIKIPWPVCK-QJPTWQEYSA-N 2 0 286.420 -0.069 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001367770580 895802485 /nfs/dbraw/zinc/80/24/85/895802485.db2.gz DYXOKRZLVZYEGB-GUTXKFCHSA-N 2 0 299.415 -0.426 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001367919994 895853424 /nfs/dbraw/zinc/85/34/24/895853424.db2.gz KABHMEWYBGOBKF-OCCSQVGLSA-N 2 0 298.431 -0.197 20 0 CBADRP C[C@@H]([NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CC1)C(N)=O ZINC001367915397 895853750 /nfs/dbraw/zinc/85/37/50/895853750.db2.gz ZSUYAXFDHRPCPH-KOLCDFICSA-N 2 0 270.377 -0.704 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001367919991 895853942 /nfs/dbraw/zinc/85/39/42/895853942.db2.gz KABHMEWYBGOBKF-GXTWGEPZSA-N 2 0 298.431 -0.197 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001367985351 895882245 /nfs/dbraw/zinc/88/22/45/895882245.db2.gz SLPYHRRHUMRGFX-QWHCGFSZSA-N 2 0 297.399 -0.720 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)CCC[NH+](C)C)CC1 ZINC001368022556 895893015 /nfs/dbraw/zinc/89/30/15/895893015.db2.gz MVIKMHRFVAUQHA-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H]([NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1)C(N)=O ZINC001368014747 895893322 /nfs/dbraw/zinc/89/33/22/895893322.db2.gz QANVARBVSPEZOS-NWDGAFQWSA-N 2 0 296.415 -0.027 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001368104038 895915740 /nfs/dbraw/zinc/91/57/40/895915740.db2.gz ALPKPXWDOPNHIN-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001368109975 895916967 /nfs/dbraw/zinc/91/69/67/895916967.db2.gz PELGANKJFZZBAZ-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC ZINC001368117214 895920374 /nfs/dbraw/zinc/92/03/74/895920374.db2.gz ABJITXNPKMMIAE-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001368161899 895923975 /nfs/dbraw/zinc/92/39/75/895923975.db2.gz MTKYIALYCJSHNQ-FZMZJTMJSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001368161900 895925930 /nfs/dbraw/zinc/92/59/30/895925930.db2.gz MTKYIALYCJSHNQ-RISCZKNCSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001368259078 895951512 /nfs/dbraw/zinc/95/15/12/895951512.db2.gz JJDFGPSMXIJUGZ-OCCSQVGLSA-N 2 0 287.404 -0.738 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368339229 895986286 /nfs/dbraw/zinc/98/62/86/895986286.db2.gz VDNRZIALQBFVED-RYUDHWBXSA-N 2 0 296.415 -0.360 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001368465458 896015182 /nfs/dbraw/zinc/01/51/82/896015182.db2.gz NDYSOOIYFFKIEN-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001368521198 896025914 /nfs/dbraw/zinc/02/59/14/896025914.db2.gz KBIRWIPMIZSFRM-ZDEQEGDKSA-N 2 0 296.415 -0.314 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001368536720 896032112 /nfs/dbraw/zinc/03/21/12/896032112.db2.gz MYZXMVODZXHSHG-LPWJVIDDSA-N 2 0 296.415 -0.443 20 0 CBADRP CNC(=O)[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001368568400 896039045 /nfs/dbraw/zinc/03/90/45/896039045.db2.gz WIQRQAHEHSAYNH-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP C[N@H+](CC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001368588212 896040809 /nfs/dbraw/zinc/04/08/09/896040809.db2.gz HANGFAYCPQPMPQ-HAQNSBGRSA-N 2 0 298.431 -0.066 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CCc2c[nH]cn2)C1 ZINC001368641862 896051949 /nfs/dbraw/zinc/05/19/49/896051949.db2.gz SYOUTQQSPZADSR-WDEREUQCSA-N 2 0 293.371 -0.298 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)NCC)[C@@H](C)C1 ZINC001368663837 896054480 /nfs/dbraw/zinc/05/44/80/896054480.db2.gz FLKGJCMWBGHELY-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CC(=O)N(C)C ZINC001368661062 896055473 /nfs/dbraw/zinc/05/54/73/896055473.db2.gz UJRWZODNXUYFBF-RYUDHWBXSA-N 2 0 284.404 -0.537 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH+](CCO)CCO)C1 ZINC001368727287 896066000 /nfs/dbraw/zinc/06/60/00/896066000.db2.gz GFPIMWOOVNSZSZ-ZDUSSCGKSA-N 2 0 287.404 -0.784 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001368730323 896070098 /nfs/dbraw/zinc/07/00/98/896070098.db2.gz HNICUGZYFRQFJE-AVGNSLFASA-N 2 0 298.431 -0.053 20 0 CBADRP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+][C@H](C)C(=O)NC)C1 ZINC001368820937 896090831 /nfs/dbraw/zinc/09/08/31/896090831.db2.gz AQVMRVRYVIQWIF-PNESKVBLSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CC(N)=O)[NH+](C)C ZINC001368922262 896110884 /nfs/dbraw/zinc/11/08/84/896110884.db2.gz BZPXKUVGBAUTAF-LLVKDONJSA-N 2 0 286.420 -0.114 20 0 CBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)[C@@H]1CCNC1=O ZINC001368971098 896122575 /nfs/dbraw/zinc/12/25/75/896122575.db2.gz CQMPEZUXUWYVNH-DGCLKSJQSA-N 2 0 296.415 -0.347 20 0 CBADRP CCCC[C@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001369056803 896142620 /nfs/dbraw/zinc/14/26/20/896142620.db2.gz MXMXDIDCXACZDB-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(=O)NC)C1)[NH+](C)C ZINC001369178905 896164642 /nfs/dbraw/zinc/16/46/42/896164642.db2.gz GGWBFQSDHJKHPU-ZDEQEGDKSA-N 2 0 298.431 -0.055 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001369185855 896167962 /nfs/dbraw/zinc/16/79/62/896167962.db2.gz MVLGMNGCFLEWBH-AVGNSLFASA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]CC(N)=O ZINC001369248317 896182562 /nfs/dbraw/zinc/18/25/62/896182562.db2.gz DMRZMRVOCBSGCH-SNVBAGLBSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H](C)C(N)=O ZINC001369272153 896185833 /nfs/dbraw/zinc/18/58/33/896185833.db2.gz MJBGIXOQDBUNAC-QWRGUYRKSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCn1cncn1 ZINC001369307442 896196778 /nfs/dbraw/zinc/19/67/78/896196778.db2.gz QVPQXTDMJQMUTO-OLZOCXBDSA-N 2 0 294.403 -0.334 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001369309622 896199523 /nfs/dbraw/zinc/19/95/23/896199523.db2.gz VHYMILXPSMRXJW-MNOVXSKESA-N 2 0 270.377 -0.879 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369312475 896201553 /nfs/dbraw/zinc/20/15/53/896201553.db2.gz ZUXICFUHZNKASH-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP COCC[N@H+](CCO)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001369559079 896316281 /nfs/dbraw/zinc/31/62/81/896316281.db2.gz NGEGEPCNAMHGPO-UHFFFAOYSA-N 2 0 299.415 -0.328 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001369754033 896334148 /nfs/dbraw/zinc/33/41/48/896334148.db2.gz SYCAXAXCGYVDEF-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001369752391 896335896 /nfs/dbraw/zinc/33/58/96/896335896.db2.gz QSOKCRIWQIKYNX-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]([NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1)C(N)=O ZINC001370212638 896411505 /nfs/dbraw/zinc/41/15/05/896411505.db2.gz JVQGJYZLOYUMFE-GWCFXTLKSA-N 2 0 296.415 -0.314 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001370404099 896423701 /nfs/dbraw/zinc/42/37/01/896423701.db2.gz JSQZHUSRQQIDNZ-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC)C1)[NH+](C)C ZINC001370486450 896437151 /nfs/dbraw/zinc/43/71/51/896437151.db2.gz DSOKNHAILLANRG-FIQHERPVSA-N 2 0 284.404 -0.302 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001370614072 896446856 /nfs/dbraw/zinc/44/68/56/896446856.db2.gz PKQSGWVLOHQLDO-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001370667620 896469918 /nfs/dbraw/zinc/46/99/18/896469918.db2.gz ADVKWRJFYNTXBX-JFGNBEQYSA-N 2 0 270.377 -0.705 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001370663297 896470810 /nfs/dbraw/zinc/47/08/10/896470810.db2.gz KCAUOHMQRNHWFD-TXEJJXNPSA-N 2 0 296.415 -0.156 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001370673736 896472447 /nfs/dbraw/zinc/47/24/47/896472447.db2.gz DCBWPXMKEDKTAZ-TUAOUCFPSA-N 2 0 284.404 -0.301 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](O)COC)C1)[NH+](C)C ZINC001370673737 896473436 /nfs/dbraw/zinc/47/34/36/896473436.db2.gz DCHOLMIVMRJYEW-XQHKEYJVSA-N 2 0 287.404 -0.429 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001370710990 896487207 /nfs/dbraw/zinc/48/72/07/896487207.db2.gz ILAMFZNYICBFSH-XQQFMLRXSA-N 2 0 296.415 -0.156 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](CC(=O)NC)C1 ZINC001370786663 896498904 /nfs/dbraw/zinc/49/89/04/896498904.db2.gz UDPLCWVAKNGMKC-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001370982009 896529807 /nfs/dbraw/zinc/52/98/07/896529807.db2.gz WBLMVOJXBBUIRA-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCn1cncn1 ZINC001371192668 896572727 /nfs/dbraw/zinc/57/27/27/896572727.db2.gz XORTWGMOLIIPKA-YNEHKIRRSA-N 2 0 294.403 -0.287 20 0 CBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(=O)NC1CC1 ZINC001371202823 896576562 /nfs/dbraw/zinc/57/65/62/896576562.db2.gz OHHRSFYZZWQUGN-NSHDSACASA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001371361728 896599116 /nfs/dbraw/zinc/59/91/16/896599116.db2.gz GORGCPCHIYQSLF-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001371472952 896619818 /nfs/dbraw/zinc/61/98/18/896619818.db2.gz HZAPHAAPDVTCHW-GXTWGEPZSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CC(N)=O ZINC001371472078 896620299 /nfs/dbraw/zinc/62/02/99/896620299.db2.gz ZUWHQAVBQGNCFQ-LLVKDONJSA-N 2 0 292.383 -0.059 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001371543535 896632771 /nfs/dbraw/zinc/63/27/71/896632771.db2.gz GEQAHNDUMPPWOB-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001371560983 896636262 /nfs/dbraw/zinc/63/62/62/896636262.db2.gz FEPGUTXGTGZQSN-JHJVBQTASA-N 2 0 296.415 -0.489 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001371609041 896641939 /nfs/dbraw/zinc/64/19/39/896641939.db2.gz AIIMGRNQZDSDSY-ZDUSSCGKSA-N 2 0 296.415 -0.392 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001371609035 896641963 /nfs/dbraw/zinc/64/19/63/896641963.db2.gz AIIMGRNQZDSDSY-CYBMUJFWSA-N 2 0 296.415 -0.392 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001371612081 896644784 /nfs/dbraw/zinc/64/47/84/896644784.db2.gz FJQWSBNULUWPBR-CHWSQXEVSA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ncnn1C ZINC001371824931 896666213 /nfs/dbraw/zinc/66/62/13/896666213.db2.gz HLAQFJPSXDVNGH-LLVKDONJSA-N 2 0 282.392 -0.249 20 0 CBADRP CC[C@H]([NH2+][C@H](C)CCNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001371880939 896673853 /nfs/dbraw/zinc/67/38/53/896673853.db2.gz MJJISHCDFUMXKO-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CCN1CCNC1=O ZINC001371925440 896686680 /nfs/dbraw/zinc/68/66/80/896686680.db2.gz IQQVLNMLDWAMLJ-GFCCVEGCSA-N 2 0 297.403 -0.846 20 0 CBADRP CCN(C)C(=O)CN(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001372216479 896747687 /nfs/dbraw/zinc/74/76/87/896747687.db2.gz CGRADVHOYVJXST-LBPRGKRZSA-N 2 0 284.404 -0.536 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+](C)CCCO ZINC001372224364 896749790 /nfs/dbraw/zinc/74/97/90/896749790.db2.gz MCQHOEQQNVDQLL-ZDUSSCGKSA-N 2 0 287.404 -0.615 20 0 CBADRP CC[N@H+](CCNC(=O)CC[NH+](C)C)[C@@H]1CCN(C)C1=O ZINC001372409893 896784895 /nfs/dbraw/zinc/78/48/95/896784895.db2.gz NNCVMSKKESUJFX-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001372674149 896833282 /nfs/dbraw/zinc/83/32/82/896833282.db2.gz ZEMCRKIWDITQSB-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@H](C(=O)N1CCN(C(=O)CC[NH+](C)C)CC1)[NH+](C)C ZINC001453511649 914106039 /nfs/dbraw/zinc/10/60/39/914106039.db2.gz WIDJUGYHXXJEED-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001372855915 896890186 /nfs/dbraw/zinc/89/01/86/896890186.db2.gz AXAZGDOWGYDXHL-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)NC1CC1 ZINC001372919068 896903953 /nfs/dbraw/zinc/90/39/53/896903953.db2.gz DNINQBPWUQSBRS-DGCLKSJQSA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001372943779 896907207 /nfs/dbraw/zinc/90/72/07/896907207.db2.gz HVWHEEASGAXUEU-NSHDSACASA-N 2 0 284.404 -0.489 20 0 CBADRP CC(C)[C@H](C(=O)N(C)CC[NH2+][C@H](C)C(N)=O)[NH+](C)C ZINC001372940867 896907952 /nfs/dbraw/zinc/90/79/52/896907952.db2.gz AYSWIRNXJDYDGW-GHMZBOCLSA-N 2 0 272.393 -0.506 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+][C@H]2CCCNC2=O)C1 ZINC001372945008 896908515 /nfs/dbraw/zinc/90/85/15/896908515.db2.gz JNRCJRRGRMREKP-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001373159557 896951628 /nfs/dbraw/zinc/95/16/28/896951628.db2.gz OWPWTBVDKFIQDO-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001373195213 896953559 /nfs/dbraw/zinc/95/35/59/896953559.db2.gz KMHANBZHVARKJY-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001373394213 896996054 /nfs/dbraw/zinc/99/60/54/896996054.db2.gz VYTSFSXNPFMXLI-IHRRRGAJSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[N@H+](C)CCC(=O)NC1CN(C[C@H](O)COC)C1 ZINC001373471019 897024514 /nfs/dbraw/zinc/02/45/14/897024514.db2.gz MIRXLXLUKTXKOB-LBPRGKRZSA-N 2 0 273.377 -0.864 20 0 CBADRP CN(CCNC(=O)CC[NH+](C)C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001373660049 897089905 /nfs/dbraw/zinc/08/99/05/897089905.db2.gz ILDWNPMVFPKXST-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CCN(CCNC(=O)CC[NH+](C)C)C(=O)C[NH+]1CCCC1 ZINC001373940540 897138337 /nfs/dbraw/zinc/13/83/37/897138337.db2.gz MEXHJWIDBRGYGZ-UHFFFAOYSA-N 2 0 298.431 -0.001 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001373914464 897138469 /nfs/dbraw/zinc/13/84/69/897138469.db2.gz FTXARVICRSZMDV-JHJVBQTASA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1cn(C)nn1 ZINC001374079403 897166699 /nfs/dbraw/zinc/16/66/99/897166699.db2.gz WGGLLDORZJWBNC-LLVKDONJSA-N 2 0 282.392 -0.391 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001374079906 897167719 /nfs/dbraw/zinc/16/77/19/897167719.db2.gz QTBOPGAUQBBMMJ-YPMHNXCESA-N 2 0 296.419 -0.003 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1nncn1C)[NH+](C)C ZINC001374099144 897170650 /nfs/dbraw/zinc/17/06/50/897170650.db2.gz QYVQIIIYCWQHSD-NEPJUHHUSA-N 2 0 296.419 -0.003 20 0 CBADRP CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1nncn1C)[NH+](C)C ZINC001374099147 897171271 /nfs/dbraw/zinc/17/12/71/897171271.db2.gz QYVQIIIYCWQHSD-VXGBXAGGSA-N 2 0 296.419 -0.003 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(N)=O)N(C)C(=O)C[NH+]1CCCC1 ZINC001374324939 897210684 /nfs/dbraw/zinc/21/06/84/897210684.db2.gz GXWTXSJXASCTDD-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001374333764 897215922 /nfs/dbraw/zinc/21/59/22/897215922.db2.gz ZMMUBOXDKHMFQK-RYUDHWBXSA-N 2 0 284.404 -0.348 20 0 CBADRP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCNC1=O ZINC001374446463 897230996 /nfs/dbraw/zinc/23/09/96/897230996.db2.gz KMYLIODFAOKBMR-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001374442701 897230669 /nfs/dbraw/zinc/23/06/69/897230669.db2.gz FILWXWCIUMVFFN-NWDGAFQWSA-N 2 0 284.404 -0.456 20 0 CBADRP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCNC1=O ZINC001374446466 897231093 /nfs/dbraw/zinc/23/10/93/897231093.db2.gz KMYLIODFAOKBMR-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC(N)=O)C1 ZINC001374562379 897261654 /nfs/dbraw/zinc/26/16/54/897261654.db2.gz PENRHZSJQNVBGK-QWHCGFSZSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[NH2+]C[C@H](O)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001374600911 897301206 /nfs/dbraw/zinc/30/12/06/897301206.db2.gz APKWWWCDVLJVQU-NSHDSACASA-N 2 0 283.376 -0.855 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]C[C@H]2CCOC2)CC1 ZINC001374643584 897325575 /nfs/dbraw/zinc/32/55/75/897325575.db2.gz QRFSUWBOMTYVOE-TZMCWYRMSA-N 2 0 299.415 -0.569 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]C[C@H]2CCOC2)CC1 ZINC001374643581 897326438 /nfs/dbraw/zinc/32/64/38/897326438.db2.gz QRFSUWBOMTYVOE-OCCSQVGLSA-N 2 0 299.415 -0.569 20 0 CBADRP CC[C@H](C(=O)N(CC)CC[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C ZINC001374705560 897348451 /nfs/dbraw/zinc/34/84/51/897348451.db2.gz RNXNANQMYNLRFZ-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CCC[N@H+](C)CC(=O)NC1CN(C(=O)C[NH+]2CCCC2)C1 ZINC001374730864 897356753 /nfs/dbraw/zinc/35/67/53/897356753.db2.gz WZXMPONNECOKLC-UHFFFAOYSA-N 2 0 296.415 -0.249 20 0 CBADRP CCN(CC[NH2+][C@H]1CCN(CC)C1=O)C(=O)CC[NH+](C)C ZINC001374754465 897375603 /nfs/dbraw/zinc/37/56/03/897375603.db2.gz OHAMRZNNKZQRNW-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001374928802 897434146 /nfs/dbraw/zinc/43/41/46/897434146.db2.gz ZXPSPXRNLLYGGT-AVGNSLFASA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C ZINC001374936483 897437117 /nfs/dbraw/zinc/43/71/17/897437117.db2.gz XOQPWLUPQLWNAM-SRVKXCTJSA-N 2 0 284.404 -0.348 20 0 CBADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001374940497 897438080 /nfs/dbraw/zinc/43/80/80/897438080.db2.gz PSAKELIGSRZWLP-RYUDHWBXSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)CC)[NH+](C)C ZINC001374962890 897441903 /nfs/dbraw/zinc/44/19/03/897441903.db2.gz YKWKUKFTOQNDMV-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnn(C)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001374978252 897446478 /nfs/dbraw/zinc/44/64/78/897446478.db2.gz WZCAHCPFRFRJDH-AAEUAGOBSA-N 2 0 279.388 -0.034 20 0 CBADRP CC[C@H](C(=O)NCC1([NH2+][C@H]2CCNC2=O)CC1)[NH+](C)C ZINC001375436283 897543072 /nfs/dbraw/zinc/54/30/72/897543072.db2.gz LDKMWGNBBSNZCA-WDEREUQCSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[C@H](C(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1)[NH+](C)C ZINC001375436277 897542160 /nfs/dbraw/zinc/54/21/60/897542160.db2.gz LDKMWGNBBSNZCA-GHMZBOCLSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CC1)C(N)=O ZINC001375428240 897543330 /nfs/dbraw/zinc/54/33/30/897543330.db2.gz BTAOPNVKDVLNOW-JTQLQIEISA-N 2 0 282.388 -0.417 20 0 CBADRP CC[C@@H]([NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CC1)C(N)=O ZINC001375430096 897544775 /nfs/dbraw/zinc/54/47/75/897544775.db2.gz WYENPQONPBTJBJ-GFCCVEGCSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1)C(N)=O ZINC001375463975 897546605 /nfs/dbraw/zinc/54/66/05/897546605.db2.gz FVLGLOBGYGKQOA-JTQLQIEISA-N 2 0 282.388 -0.560 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001375467953 897547913 /nfs/dbraw/zinc/54/79/13/897547913.db2.gz WMELAMTXOBAENL-JTQLQIEISA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)CC[NH+](C)C)CC1)C(=O)NC1CC1 ZINC001375465814 897547940 /nfs/dbraw/zinc/54/79/40/897547940.db2.gz NHACOYATBXUBLL-LLVKDONJSA-N 2 0 296.415 -0.156 20 0 CBADRP COC[C@H](O)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001375523233 897558310 /nfs/dbraw/zinc/55/83/10/897558310.db2.gz TZSFPVIKKLOICR-GFCCVEGCSA-N 2 0 297.399 -0.672 20 0 CBADRP CC[C@@H]([NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001375524104 897558329 /nfs/dbraw/zinc/55/83/29/897558329.db2.gz ZVDYQDKZVXRGFZ-NWDGAFQWSA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001375514442 897558766 /nfs/dbraw/zinc/55/87/66/897558766.db2.gz VFHIBFRSNJFGHL-SDDRHHMPSA-N 2 0 282.388 -0.702 20 0 CBADRP CC[C@@H](C(=O)NCC1([NH2+][C@H]2CCNC2=O)CC1)[NH+](C)C ZINC001375521099 897560373 /nfs/dbraw/zinc/56/03/73/897560373.db2.gz LDKMWGNBBSNZCA-QWRGUYRKSA-N 2 0 282.388 -0.547 20 0 CBADRP CC(C)[C@H](C(=O)NCC1([NH2+][C@H](C)C(N)=O)CC1)[NH+](C)C ZINC001375531091 897562638 /nfs/dbraw/zinc/56/26/38/897562638.db2.gz OYKSCFCOJMQUEW-GHMZBOCLSA-N 2 0 284.404 -0.315 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+][C@H]3CCCNC3=O)CC2)C1 ZINC001375546841 897563246 /nfs/dbraw/zinc/56/32/46/897563246.db2.gz ZLSWQZWHCPBKIV-RYUDHWBXSA-N 2 0 294.399 -0.545 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CCC[NH+](C)C)C(N)=O ZINC001375766482 897604314 /nfs/dbraw/zinc/60/43/14/897604314.db2.gz VVTSYXOTGSOEBT-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001375879423 897619564 /nfs/dbraw/zinc/61/95/64/897619564.db2.gz LGZRZLGQQHMIAJ-DOMZBBRYSA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[N@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001376098864 897651331 /nfs/dbraw/zinc/65/13/31/897651331.db2.gz YCQRCMCDBSIDRY-AWEZNQCLSA-N 2 0 287.404 -0.736 20 0 CBADRP COCC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001376103340 897651521 /nfs/dbraw/zinc/65/15/21/897651521.db2.gz ZIUBRRINYDSXQQ-AWEZNQCLSA-N 2 0 287.404 -0.474 20 0 CBADRP COCC[N@@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001376097494 897652747 /nfs/dbraw/zinc/65/27/47/897652747.db2.gz URNHMVGCVAYPJX-DZGCQCFKSA-N 2 0 299.415 -0.472 20 0 CBADRP CCC[N@H+](C)CCC(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001376098871 897653756 /nfs/dbraw/zinc/65/37/56/897653756.db2.gz YCQRCMCDBSIDRY-CQSZACIVSA-N 2 0 287.404 -0.736 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)CCn2ccnc2)C1 ZINC001376150958 897677768 /nfs/dbraw/zinc/67/77/68/897677768.db2.gz VSXQJNSUNYFCPV-OLZOCXBDSA-N 2 0 296.371 -0.529 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001376204762 897686298 /nfs/dbraw/zinc/68/62/98/897686298.db2.gz ZBTCUYZAIUOSIC-RYUDHWBXSA-N 2 0 282.388 -0.689 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(N)=O)C2 ZINC001376303139 897705959 /nfs/dbraw/zinc/70/59/59/897705959.db2.gz KUPODVDXRHLOTJ-SRVKXCTJSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001376328771 897712941 /nfs/dbraw/zinc/71/29/41/897712941.db2.gz HWEDMDWHYAZSQK-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CC[C@H](C[NH2+]CC(N)=O)CC1 ZINC001376378553 897723203 /nfs/dbraw/zinc/72/32/03/897723203.db2.gz PSYJUTLCFFHOAV-JOCQHMNTSA-N 2 0 298.431 -0.064 20 0 CBADRP Cn1nncc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001376406517 897726790 /nfs/dbraw/zinc/72/67/90/897726790.db2.gz ZTIOPCSCIFQPLN-NSHDSACASA-N 2 0 280.376 -0.543 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@H](C)C(N)=O)C[C@@H]2C1 ZINC001376418732 897729967 /nfs/dbraw/zinc/72/99/67/897729967.db2.gz RDQJEBWOSXLUIB-UPJWGTAASA-N 2 0 296.415 -0.408 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001376479122 897752172 /nfs/dbraw/zinc/75/21/72/897752172.db2.gz WGVXBNPPPVDGMG-MBNYWOFBSA-N 2 0 298.431 -0.102 20 0 CBADRP COCC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001376477059 897753064 /nfs/dbraw/zinc/75/30/64/897753064.db2.gz DUKMRUBBGUOXHO-CQSZACIVSA-N 2 0 287.404 -0.472 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001376487766 897756799 /nfs/dbraw/zinc/75/67/99/897756799.db2.gz CSUVULRIBLXLDR-MXWKQRLJSA-N 2 0 270.377 -0.561 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001376499030 897758924 /nfs/dbraw/zinc/75/89/24/897758924.db2.gz CKAALDMGQPGIOX-FRRDWIJNSA-N 2 0 285.388 -0.674 20 0 CBADRP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001376601466 897780217 /nfs/dbraw/zinc/78/02/17/897780217.db2.gz IYDPKYFWAREZCR-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001376609652 897783804 /nfs/dbraw/zinc/78/38/04/897783804.db2.gz LRUNNKWCQXGZLI-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N(C)C1CC1 ZINC001376696006 897810844 /nfs/dbraw/zinc/81/08/44/897810844.db2.gz CBMFZIUQAXOOGN-DGCLKSJQSA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001376718630 897822047 /nfs/dbraw/zinc/82/20/47/897822047.db2.gz BCOJXCAETKZZRL-ZYHUDNBSSA-N 2 0 282.388 -0.832 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001376735039 897828335 /nfs/dbraw/zinc/82/83/35/897828335.db2.gz WUTJQVBRCFWVET-GARJFASQSA-N 2 0 270.377 -0.704 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001376801029 897849920 /nfs/dbraw/zinc/84/99/20/897849920.db2.gz MHJPDMHLQDTLSC-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP CCn1nncc1C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C ZINC001376805870 897852036 /nfs/dbraw/zinc/85/20/36/897852036.db2.gz FBNUJQINJGUPKM-NSHDSACASA-N 2 0 282.392 -0.156 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001376805987 897852104 /nfs/dbraw/zinc/85/21/04/897852104.db2.gz FNKWYBXPTXJMMA-LLVKDONJSA-N 2 0 284.404 -0.441 20 0 CBADRP NC(=O)C[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CCC1 ZINC001376821553 897855689 /nfs/dbraw/zinc/85/56/89/897855689.db2.gz SWKIKAZJOOBGFX-UHFFFAOYSA-N 2 0 296.415 -0.024 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N1CCO[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC001376871911 897876758 /nfs/dbraw/zinc/87/67/58/897876758.db2.gz ZSKCHWYSKRQDLN-CHWSQXEVSA-N 2 0 287.404 -0.476 20 0 CBADRP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001376882180 897879457 /nfs/dbraw/zinc/87/94/57/897879457.db2.gz NOCJYDKIOHDYDD-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001376943051 897898504 /nfs/dbraw/zinc/89/85/04/897898504.db2.gz VOXDJSCCRAIBQD-RWMBFGLXSA-N 2 0 296.415 -0.360 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001376941151 897898579 /nfs/dbraw/zinc/89/85/79/897898579.db2.gz MLNHRJPDEWRDJF-CYBMUJFWSA-N 2 0 296.415 -0.392 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CCC[NH+](C)[C@H]1CCNC1=O ZINC001377005053 897909202 /nfs/dbraw/zinc/90/92/02/897909202.db2.gz QJIZRQPLESSGQV-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001377020667 897914712 /nfs/dbraw/zinc/91/47/12/897914712.db2.gz REBBTEJXBAJDIV-NWDGAFQWSA-N 2 0 284.404 -0.408 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001377258953 897991347 /nfs/dbraw/zinc/99/13/47/897991347.db2.gz MFVUHFZIIFVUBW-ZDUSSCGKSA-N 2 0 287.404 -0.617 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCCNC1=O ZINC001377291439 897999584 /nfs/dbraw/zinc/99/95/84/897999584.db2.gz ICYKWZQESOUKTN-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C[C@H](O)COC ZINC001377359964 898021606 /nfs/dbraw/zinc/02/16/06/898021606.db2.gz JIPPUVCDGYWUNY-ZDUSSCGKSA-N 2 0 299.415 -0.472 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001377458775 898053736 /nfs/dbraw/zinc/05/37/36/898053736.db2.gz ZTKYMJNHOSVTFU-GFCCVEGCSA-N 2 0 284.404 -0.536 20 0 CBADRP NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001377481143 898063378 /nfs/dbraw/zinc/06/33/78/898063378.db2.gz UJKYWGCAWQSIGT-ZDUSSCGKSA-N 2 0 296.415 -0.214 20 0 CBADRP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001377580437 898094501 /nfs/dbraw/zinc/09/45/01/898094501.db2.gz LFPDCQLANGYLOO-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001377588456 898096886 /nfs/dbraw/zinc/09/68/86/898096886.db2.gz ILLVCDPHRTXLKN-RYUDHWBXSA-N 2 0 284.404 -0.491 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1)C(N)=O ZINC001377590173 898097228 /nfs/dbraw/zinc/09/72/28/898097228.db2.gz DRFJWFZJNMKJPZ-GFCCVEGCSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+][C@H]2CCNC2=O)C1 ZINC001377589113 898097321 /nfs/dbraw/zinc/09/73/21/898097321.db2.gz HOLKWQXSMCLVJQ-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001377598871 898103289 /nfs/dbraw/zinc/10/32/89/898103289.db2.gz DJKPIGSRWMLRAA-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCC[C@H]1CN(C)CC(N)=O)[NH+](C)C ZINC001377645051 898109939 /nfs/dbraw/zinc/10/99/39/898109939.db2.gz ZHPXMNBXCPBOQG-JSGCOSHPSA-N 2 0 298.431 -0.019 20 0 CBADRP COC[C@@H](O)C[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001378014056 898198006 /nfs/dbraw/zinc/19/80/06/898198006.db2.gz DAPCAWXHCFTIIO-JSGCOSHPSA-N 2 0 299.415 -0.617 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)N(C)C ZINC001378261223 898294053 /nfs/dbraw/zinc/29/40/53/898294053.db2.gz XJIKRZFIUCSPEY-FRRDWIJNSA-N 2 0 298.431 -0.101 20 0 CBADRP C[N@H+](CC(=O)N[C@@](C)(C[NH2+]CC(N)=O)C1CC1)C1CCC1 ZINC001378395880 898329326 /nfs/dbraw/zinc/32/93/26/898329326.db2.gz LEXBAKVXAOXWIO-HNNXBMFYSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC1CC1 ZINC001378506610 898339446 /nfs/dbraw/zinc/33/94/46/898339446.db2.gz VJIWRKWQKIWXNY-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(N)=O ZINC001378512346 898342122 /nfs/dbraw/zinc/34/21/22/898342122.db2.gz MNZFEJQVSFNLTF-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H](CNC(=O)Cc1c[nH]cn1)C[NH2+][C@@H]1CCCNC1=O ZINC001378614486 898369079 /nfs/dbraw/zinc/36/90/79/898369079.db2.gz PVXRKEJSZGVTQU-CMPLNLGQSA-N 2 0 293.371 -0.427 20 0 CBADRP CC[C@H]([NH2+]C[C@H](C)CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001378654715 898380386 /nfs/dbraw/zinc/38/03/86/898380386.db2.gz XIZZWPOEDTZWCO-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001378774018 898408952 /nfs/dbraw/zinc/40/89/52/898408952.db2.gz JCQYUASJVJLFNN-JTQLQIEISA-N 2 0 270.377 -0.608 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnns1 ZINC001379188127 898497952 /nfs/dbraw/zinc/49/79/52/898497952.db2.gz LTAZRMPABZGEAU-GXSJLCMTSA-N 2 0 299.400 -0.801 20 0 CBADRP C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]CC(N)=O ZINC001379232472 898517198 /nfs/dbraw/zinc/51/71/98/898517198.db2.gz YUSHRPLFUWYYQO-JTQLQIEISA-N 2 0 270.377 -0.750 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001379260175 898527180 /nfs/dbraw/zinc/52/71/80/898527180.db2.gz RBRKCJPKGBWTNS-RYUDHWBXSA-N 2 0 298.387 -0.110 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1conc1C)[NH+](C)C ZINC001379259161 898529405 /nfs/dbraw/zinc/52/94/05/898529405.db2.gz OFWZMSLSGNHMEC-STQMWFEESA-N 2 0 298.387 -0.110 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)C(=O)NC ZINC001379285704 898536959 /nfs/dbraw/zinc/53/69/59/898536959.db2.gz QCDYDTMXEQYAID-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP Cc1nocc1C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001379282096 898537137 /nfs/dbraw/zinc/53/71/37/898537137.db2.gz FVOPDDQEIAHCEF-ZDUSSCGKSA-N 2 0 296.371 -0.354 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C[N@H+](C)C(C)C ZINC001379326967 898549785 /nfs/dbraw/zinc/54/97/85/898549785.db2.gz KGWJOHWCPZLVFG-GFCCVEGCSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001379357011 898572536 /nfs/dbraw/zinc/57/25/36/898572536.db2.gz VWAJYVPGQOAVTD-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCn1cccn1 ZINC001379375611 898587417 /nfs/dbraw/zinc/58/74/17/898587417.db2.gz VPJRAFKHAOTVGX-OLZOCXBDSA-N 2 0 295.387 -0.956 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C ZINC001379421777 898606987 /nfs/dbraw/zinc/60/69/87/898606987.db2.gz VEZPMEJQOCEJBP-FRRDWIJNSA-N 2 0 298.431 -0.102 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001379448477 898617152 /nfs/dbraw/zinc/61/71/52/898617152.db2.gz JDBIOKJVGFOLOC-AGIUHOORSA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@H](C[NH2+]C[C@H](C)O)NC(=O)COC1CC[NH+](C)CC1 ZINC001379444753 898618656 /nfs/dbraw/zinc/61/86/56/898618656.db2.gz PMHRPDCCAKSMIJ-NEPJUHHUSA-N 2 0 287.404 -0.428 20 0 CBADRP Cc1c(C(=O)N[C@@H](C)C[NH2+]CC(N)=O)ccc2c[nH+]cn21 ZINC001379520122 898654103 /nfs/dbraw/zinc/65/41/03/898654103.db2.gz GBVMNXQICKSQKW-VIFPVBQESA-N 2 0 289.339 -0.164 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)CC[NH+](C)C ZINC001379552568 898664982 /nfs/dbraw/zinc/66/49/82/898664982.db2.gz QOONQQCQGICDLF-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)CC[NH+](C)C ZINC001379552553 898665154 /nfs/dbraw/zinc/66/51/54/898665154.db2.gz QOONQQCQGICDLF-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001379582945 898673726 /nfs/dbraw/zinc/67/37/26/898673726.db2.gz RDOZKUVWJKGJKG-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379600806 898683560 /nfs/dbraw/zinc/68/35/60/898683560.db2.gz QBRLNEREWCMRSR-TUAOUCFPSA-N 2 0 273.377 -0.960 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H](C[NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001379897407 898754871 /nfs/dbraw/zinc/75/48/71/898754871.db2.gz UPRWUHPDEXCSTP-OLZOCXBDSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)N(C)C)C1CC1)[NH+](C)C ZINC001379901021 898755117 /nfs/dbraw/zinc/75/51/17/898755117.db2.gz XJBBHYQQRYBGSF-OLZOCXBDSA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)[NH+](C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)C[C@H](C)O ZINC001379965500 898775502 /nfs/dbraw/zinc/77/55/02/898775502.db2.gz BYHUQIRGSQIRAG-QWHCGFSZSA-N 2 0 289.420 -0.542 20 0 CBADRP CC[C@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C(N)=O ZINC001380081804 898801767 /nfs/dbraw/zinc/80/17/67/898801767.db2.gz UPFAXZYLJYBQES-UTUOFQBUSA-N 2 0 296.415 -0.171 20 0 CBADRP Cn1nncc1C[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001380131062 898815455 /nfs/dbraw/zinc/81/54/55/898815455.db2.gz ITJOIRFQJCDWBD-UHFFFAOYSA-N 2 0 280.376 -0.495 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001380129997 898815873 /nfs/dbraw/zinc/81/58/73/898815873.db2.gz DUOFKAYCZFBGOR-WDEREUQCSA-N 2 0 282.388 -0.547 20 0 CBADRP NC(=O)C[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001380118289 898818349 /nfs/dbraw/zinc/81/83/49/898818349.db2.gz UNYDDNTTZKBASG-UHFFFAOYSA-N 2 0 294.399 -0.414 20 0 CBADRP CC[C@H](C(=O)NCC1([NH2+]CC(=O)NC)CC1)[NH+](C)C ZINC001380159261 898824853 /nfs/dbraw/zinc/82/48/53/898824853.db2.gz CIEXRDIXBIZYAR-SNVBAGLBSA-N 2 0 270.377 -0.689 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)CC1 ZINC001380279797 898846197 /nfs/dbraw/zinc/84/61/97/898846197.db2.gz JBRLUKZUCUJPNN-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001380288253 898849906 /nfs/dbraw/zinc/84/99/06/898849906.db2.gz VWGDMYDGVBYKRB-NSHDSACASA-N 2 0 280.372 -0.852 20 0 CBADRP CC[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C)C(N)=O ZINC001380295389 898852076 /nfs/dbraw/zinc/85/20/76/898852076.db2.gz XTRSXNWWIUYXJK-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380350100 898863529 /nfs/dbraw/zinc/86/35/29/898863529.db2.gz CREYYEZIRGNODQ-WFASDCNBSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001380413772 898875597 /nfs/dbraw/zinc/87/55/97/898875597.db2.gz LIDGQCODLNNEKO-CQSZACIVSA-N 2 0 284.404 -0.488 20 0 CBADRP COCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001380572408 898901817 /nfs/dbraw/zinc/90/18/17/898901817.db2.gz MIBOCWOVFWARQT-GXTWGEPZSA-N 2 0 285.388 -0.863 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001380562286 898902274 /nfs/dbraw/zinc/90/22/74/898902274.db2.gz BTYVIQIIELEIER-WFASDCNBSA-N 2 0 297.399 -0.984 20 0 CBADRP COCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001380572409 898903819 /nfs/dbraw/zinc/90/38/19/898903819.db2.gz MIBOCWOVFWARQT-JSGCOSHPSA-N 2 0 285.388 -0.863 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001380689476 898934201 /nfs/dbraw/zinc/93/42/01/898934201.db2.gz PSYWWPWNBJWWBQ-NEPJUHHUSA-N 2 0 284.404 -0.504 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001380784433 898948723 /nfs/dbraw/zinc/94/87/23/898948723.db2.gz ADZUJXXZIVKKTD-RWMBFGLXSA-N 2 0 296.415 -0.265 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001380928369 898973344 /nfs/dbraw/zinc/97/33/44/898973344.db2.gz DCMUUGMDALVWAM-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001380950642 898977169 /nfs/dbraw/zinc/97/71/69/898977169.db2.gz WKCXNRSMVUACEC-NEPJUHHUSA-N 2 0 284.404 -0.265 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCF)C1 ZINC001381042343 898989928 /nfs/dbraw/zinc/98/99/28/898989928.db2.gz GZGIIITWYDUWPW-TZMCWYRMSA-N 2 0 287.379 -0.007 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001381124011 898997648 /nfs/dbraw/zinc/99/76/48/898997648.db2.gz PWQXXOYDUCSSFV-NWDGAFQWSA-N 2 0 294.399 -0.735 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001381124012 898998772 /nfs/dbraw/zinc/99/87/72/898998772.db2.gz PWQXXOYDUCSSFV-RYUDHWBXSA-N 2 0 294.399 -0.735 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CC(=O)NC1CC1 ZINC001381103554 898999754 /nfs/dbraw/zinc/99/97/54/898999754.db2.gz MUIKTAJVXPLBKQ-YPMHNXCESA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001381102914 899000546 /nfs/dbraw/zinc/00/05/46/899000546.db2.gz LLWWUPAGMRGQAJ-RYUDHWBXSA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001381159720 899006810 /nfs/dbraw/zinc/00/68/10/899006810.db2.gz KOOITWNRESODNK-LBPRGKRZSA-N 2 0 287.404 -0.738 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001381277476 899023124 /nfs/dbraw/zinc/02/31/24/899023124.db2.gz CSSICOTXQZSMNH-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP CNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001381304484 899024687 /nfs/dbraw/zinc/02/46/87/899024687.db2.gz WTOWAGKJDDJKAL-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001381437048 899048965 /nfs/dbraw/zinc/04/89/65/899048965.db2.gz KPKGMKNGNPMUNP-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001381437041 899051542 /nfs/dbraw/zinc/05/15/42/899051542.db2.gz KPKGMKNGNPMUNP-NEPJUHHUSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)[C@@H]1CCNC1=O ZINC001381535953 899079579 /nfs/dbraw/zinc/07/95/79/899079579.db2.gz NOAGRJATTDETRF-WCQYABFASA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+](C)CCC(=O)NC1(CCO)C[NH+](C[C@H]2CCOC2)C1 ZINC001381684992 899106720 /nfs/dbraw/zinc/10/67/20/899106720.db2.gz IRZSTZBVPVVYKP-CYBMUJFWSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC001381903507 899128700 /nfs/dbraw/zinc/12/87/00/899128700.db2.gz GAWPVGMYNGAOPC-ZDEQEGDKSA-N 2 0 294.399 -0.893 20 0 CBADRP C[C@H]([NH2+]CCO)[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001381916362 899131358 /nfs/dbraw/zinc/13/13/58/899131358.db2.gz GNJUSAMBMHWRBA-JSGCOSHPSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CCO)C1 ZINC001381950657 899133647 /nfs/dbraw/zinc/13/36/47/899133647.db2.gz UUHPEAZVILUCBB-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC)C1 ZINC001381975986 899140738 /nfs/dbraw/zinc/14/07/38/899140738.db2.gz QSSYBZOROAHIBM-HAQNSBGRSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC(=O)N(C)C1CC1 ZINC001382110609 899155928 /nfs/dbraw/zinc/15/59/28/899155928.db2.gz GDJPGKDNAWXSOA-LBPRGKRZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCn1cncn1 ZINC001382119674 899159785 /nfs/dbraw/zinc/15/97/85/899159785.db2.gz XIFJSRSDELPIOB-LBPRGKRZSA-N 2 0 282.392 -0.334 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cccnc1)[NH+](C)C ZINC001382220299 899198616 /nfs/dbraw/zinc/19/86/16/899198616.db2.gz XHPAWSNDTYGXJW-UONOGXRCSA-N 2 0 294.399 -0.012 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]Cc1cncc(F)c1 ZINC001382237908 899200887 /nfs/dbraw/zinc/20/08/87/899200887.db2.gz RVFKSQVJDAXECL-CYBMUJFWSA-N 2 0 298.362 -0.261 20 0 CBADRP CCC[NH2+][C@@H](CO)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001382275250 899230266 /nfs/dbraw/zinc/23/02/66/899230266.db2.gz RBGVMDATHXWZQX-CHWSQXEVSA-N 2 0 287.404 -0.569 20 0 CBADRP Cc1ncc(CN[C@@H](CO)CNC(=O)C[N@@H+](C)C(C)C)o1 ZINC001382282855 899234803 /nfs/dbraw/zinc/23/48/03/899234803.db2.gz KYRGQHJOLAWCAP-GFCCVEGCSA-N 2 0 298.387 -0.110 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382320362 899246842 /nfs/dbraw/zinc/24/68/42/899246842.db2.gz UUVJUXFTNLKZAO-GHMZBOCLSA-N 2 0 270.377 -0.737 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382318796 899248179 /nfs/dbraw/zinc/24/81/79/899248179.db2.gz RWVVNDXTXOFQPZ-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382318793 899248960 /nfs/dbraw/zinc/24/89/60/899248960.db2.gz RWVVNDXTXOFQPZ-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CN(C[C@H](O)C[NH2+]C[C@@H]1CCOC1)C(=O)C[NH+]1CCCC1 ZINC001382442281 899299786 /nfs/dbraw/zinc/29/97/86/899299786.db2.gz LYAVMFZTJIRVEK-UONOGXRCSA-N 2 0 299.415 -0.472 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001385887276 899599257 /nfs/dbraw/zinc/59/92/57/899599257.db2.gz UBMZBZHABIYSFD-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)CC[NH+](C)C ZINC001386194468 899632922 /nfs/dbraw/zinc/63/29/22/899632922.db2.gz GJRXBEKHCKYNBR-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001387713699 899818873 /nfs/dbraw/zinc/81/88/73/899818873.db2.gz YFFLBJXPUCXKGA-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)CCC(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001387818886 899834314 /nfs/dbraw/zinc/83/43/14/899834314.db2.gz LXKXRSQYWMYYFM-LLVKDONJSA-N 2 0 282.388 -0.783 20 0 CBADRP CN(CCNC(=O)CC[NH+](C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001388058004 899862989 /nfs/dbraw/zinc/86/29/89/899862989.db2.gz NLWLFZCHYABLMR-LBPRGKRZSA-N 2 0 284.404 -0.536 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001388686513 899901454 /nfs/dbraw/zinc/90/14/54/899901454.db2.gz YRDLZHDNPPVSBE-TXEJJXNPSA-N 2 0 296.415 -0.299 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001388740479 899906753 /nfs/dbraw/zinc/90/67/53/899906753.db2.gz MATFBGWYRMOCCN-AAVRWANBSA-N 2 0 299.415 -0.570 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001389198958 899968256 /nfs/dbraw/zinc/96/82/56/899968256.db2.gz ZXYLXGPDIZJFSL-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001389230617 899975126 /nfs/dbraw/zinc/97/51/26/899975126.db2.gz MITCSBVNGYJBKD-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]([NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1)C(N)=O ZINC001389609365 900049464 /nfs/dbraw/zinc/04/94/64/900049464.db2.gz PBDRKMAQRMLGQP-ZYHUDNBSSA-N 2 0 296.415 -0.171 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]([NH2+][C@H]1CCNC1=O)C1CC1 ZINC001389693856 900057579 /nfs/dbraw/zinc/05/75/79/900057579.db2.gz QWLNADARUQPQKV-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001389800243 900073700 /nfs/dbraw/zinc/07/37/00/900073700.db2.gz GGORRDXTKKCFCY-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001389813161 900076786 /nfs/dbraw/zinc/07/67/86/900076786.db2.gz AKVYMWICLFDMPP-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001389854430 900084428 /nfs/dbraw/zinc/08/44/28/900084428.db2.gz AWBFQXGHHOLFDZ-FDYHWXHSSA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001389854440 900086626 /nfs/dbraw/zinc/08/66/26/900086626.db2.gz AWBFQXGHHOLFDZ-ZDEQEGDKSA-N 2 0 296.415 -0.029 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)[NH+](C)C ZINC001389863501 900087014 /nfs/dbraw/zinc/08/70/14/900087014.db2.gz UCXUXUHMRBDHOY-CYDGBPFRSA-N 2 0 296.415 -0.302 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001389898483 900089215 /nfs/dbraw/zinc/08/92/15/900089215.db2.gz JUXFEVMRAKEYKN-AVGNSLFASA-N 2 0 297.399 -0.674 20 0 CBADRP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001389883901 900089772 /nfs/dbraw/zinc/08/97/72/900089772.db2.gz MROIYNZHSLNYNA-HAQNSBGRSA-N 2 0 294.403 -0.106 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001389908504 900090619 /nfs/dbraw/zinc/09/06/19/900090619.db2.gz AEAAPNLZUFQDEH-JOCQHMNTSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001389997939 900102919 /nfs/dbraw/zinc/10/29/19/900102919.db2.gz ISGHPUONYKMUOD-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001390189256 900122542 /nfs/dbraw/zinc/12/25/42/900122542.db2.gz JAOKXNLFYQNYQM-PDWCTOEPSA-N 2 0 297.399 -0.866 20 0 CBADRP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21)[NH+](C)C ZINC001390222173 900126983 /nfs/dbraw/zinc/12/69/83/900126983.db2.gz BFSQAHIBLCGEFG-ODXJTPSBSA-N 2 0 283.416 0.000 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001390449261 900161845 /nfs/dbraw/zinc/16/18/45/900161845.db2.gz AASVOEXJCZVQPR-XQQFMLRXSA-N 2 0 287.404 -0.428 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001390458343 900163980 /nfs/dbraw/zinc/16/39/80/900163980.db2.gz NJCXEPDOCGYDBS-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001390459643 900166293 /nfs/dbraw/zinc/16/62/93/900166293.db2.gz MKIKSEDQDOSVOW-GRYCIOLGSA-N 2 0 273.377 -0.818 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001390535301 900183322 /nfs/dbraw/zinc/18/33/22/900183322.db2.gz DGKKPPNMPQYYPX-VXGBXAGGSA-N 2 0 286.420 -0.102 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001390586838 900193476 /nfs/dbraw/zinc/19/34/76/900193476.db2.gz AJESMORUCOFGOQ-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001390588759 900194649 /nfs/dbraw/zinc/19/46/49/900194649.db2.gz BWEGGJIHCFYXMQ-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001390607916 900195612 /nfs/dbraw/zinc/19/56/12/900195612.db2.gz VGFLAOATQQXYPK-LBPRGKRZSA-N 2 0 282.388 -0.734 20 0 CBADRP NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001390612778 900197188 /nfs/dbraw/zinc/19/71/88/900197188.db2.gz WHDLHECYYMCIOI-NSHDSACASA-N 2 0 280.372 -0.994 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nncn1C ZINC001390649658 900202396 /nfs/dbraw/zinc/20/23/96/900202396.db2.gz WHBZTOQWECVKJB-VXGBXAGGSA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001390678718 900208805 /nfs/dbraw/zinc/20/88/05/900208805.db2.gz KVRTZHJFJHEQMS-NWDGAFQWSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC(N)=O ZINC001390696604 900212841 /nfs/dbraw/zinc/21/28/41/900212841.db2.gz VVXWKWFCHXNYQG-SRVKXCTJSA-N 2 0 284.404 -0.314 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001391098032 900307109 /nfs/dbraw/zinc/30/71/09/900307109.db2.gz PPJNPAXBIMFKNU-BFHYXJOUSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391091092 900310131 /nfs/dbraw/zinc/31/01/31/900310131.db2.gz BSVOZQJBYYPTBM-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001391112592 900312595 /nfs/dbraw/zinc/31/25/95/900312595.db2.gz CLEXKKNAZYZJQH-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001391108490 900314142 /nfs/dbraw/zinc/31/41/42/900314142.db2.gz HCEPYMZFZFVRAH-AAEUAGOBSA-N 2 0 284.404 -0.504 20 0 CBADRP CC[C@H](C(=O)NCCN([C@@H](C)C(N)=O)C1CC1)[NH+](C)C ZINC001391201848 900333997 /nfs/dbraw/zinc/33/39/97/900333997.db2.gz UHUMNCJJOVEOOE-CMPLNLGQSA-N 2 0 284.404 -0.219 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+][C@H]2CCNC2=O)CC[N@@H+]1C ZINC001391201059 900334536 /nfs/dbraw/zinc/33/45/36/900334536.db2.gz LCCFSDWHMVVIJG-RWMBFGLXSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001391206557 900334792 /nfs/dbraw/zinc/33/47/92/900334792.db2.gz INKDCPUXMHRSNQ-YPMHNXCESA-N 2 0 296.415 -0.489 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC)[NH+](C)C ZINC001391211670 900340095 /nfs/dbraw/zinc/34/00/95/900340095.db2.gz RCXDJUVPKVAJKC-WDEREUQCSA-N 2 0 272.393 -0.491 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001391222920 900343681 /nfs/dbraw/zinc/34/36/81/900343681.db2.gz VGEQDDLSFYOORY-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001391228920 900346756 /nfs/dbraw/zinc/34/67/56/900346756.db2.gz SBGANVHQGMSYEA-AVGNSLFASA-N 2 0 298.431 -0.101 20 0 CBADRP C[NH+]1CCC(OCC(=O)N[C@H]2CCC[N@H+](CCO)C2)CC1 ZINC001391400545 900364650 /nfs/dbraw/zinc/36/46/50/900364650.db2.gz MEYQQKXMIJSLPN-ZDUSSCGKSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001391726169 900438003 /nfs/dbraw/zinc/43/80/03/900438003.db2.gz VLIATKAESWKXIT-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@](C)(C[NH2+]CC(N)=O)C2CC2)CC1 ZINC001391819955 900450834 /nfs/dbraw/zinc/45/08/34/900450834.db2.gz RXEUONWVTZKADM-CQSZACIVSA-N 2 0 296.415 -0.312 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001391862492 900453296 /nfs/dbraw/zinc/45/32/96/900453296.db2.gz NPXWHGDXIYPWSF-YNEHKIRRSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001391945890 900469195 /nfs/dbraw/zinc/46/91/95/900469195.db2.gz MKICTYOMYYBXLP-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001391945888 900469460 /nfs/dbraw/zinc/46/94/60/900469460.db2.gz MKICTYOMYYBXLP-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001392047017 900500855 /nfs/dbraw/zinc/50/08/55/900500855.db2.gz CQGLFAQZJJMYEU-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001392066874 900505724 /nfs/dbraw/zinc/50/57/24/900505724.db2.gz WKKHUSDTSULFIA-DGCLKSJQSA-N 2 0 296.415 -0.489 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)C(=O)NC ZINC001392116225 900516602 /nfs/dbraw/zinc/51/66/02/900516602.db2.gz JJEKATSUPVNPGV-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001392118553 900517299 /nfs/dbraw/zinc/51/72/99/900517299.db2.gz CRRJLDXSRQDXBP-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001392125063 900518723 /nfs/dbraw/zinc/51/87/23/900518723.db2.gz VUGBHLGYUOPSIC-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001392127423 900520831 /nfs/dbraw/zinc/52/08/31/900520831.db2.gz VWPNKKGDMLRZQA-QWRGUYRKSA-N 2 0 284.404 -0.362 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001392134871 900521649 /nfs/dbraw/zinc/52/16/49/900521649.db2.gz PWIXVLVBZWBRJK-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001392225894 900534870 /nfs/dbraw/zinc/53/48/70/900534870.db2.gz HHKVMIPZUMCPKU-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP CN(CCN(C)C(=O)C[N@H+](C)C1CCC1)CC(N)=O ZINC001392282332 900549532 /nfs/dbraw/zinc/54/95/32/900549532.db2.gz DSGCBAOSLSRSKV-UHFFFAOYSA-N 2 0 270.377 -0.654 20 0 CBADRP CNC(=O)CN(C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001392281248 900550950 /nfs/dbraw/zinc/55/09/50/900550950.db2.gz KBFOKIQTQKYJFZ-UHFFFAOYSA-N 2 0 284.404 -0.393 20 0 CBADRP Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)o1 ZINC001392390534 900600449 /nfs/dbraw/zinc/60/04/49/900600449.db2.gz GQWCSDKMJFWGLX-NSHDSACASA-N 2 0 284.360 -0.499 20 0 CBADRP C[C@@H]([NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001392441694 900619196 /nfs/dbraw/zinc/61/91/96/900619196.db2.gz IBGVMNSYLDGYRE-WDEREUQCSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001392441693 900620903 /nfs/dbraw/zinc/62/09/03/900620903.db2.gz IBGVMNSYLDGYRE-QWRGUYRKSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001392452842 900622109 /nfs/dbraw/zinc/62/21/09/900622109.db2.gz VNTGVYIZCKKTPI-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001392459227 900622572 /nfs/dbraw/zinc/62/25/72/900622572.db2.gz ZQWSLYSXRLIVOQ-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)C1([NH+](C)C)CCC1 ZINC001392483797 900635107 /nfs/dbraw/zinc/63/51/07/900635107.db2.gz PVGBUMBVSPMGCN-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001392525157 900648440 /nfs/dbraw/zinc/64/84/40/900648440.db2.gz MPKLJDOTFSOAAS-YPMHNXCESA-N 2 0 286.420 -0.197 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(C)C)[NH+](C)C ZINC001392524816 900648632 /nfs/dbraw/zinc/64/86/32/900648632.db2.gz QZHNEKOBLQBRJC-VXGBXAGGSA-N 2 0 286.420 -0.055 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001392568772 900664090 /nfs/dbraw/zinc/66/40/90/900664090.db2.gz DJGOLXREFOAODR-NWDGAFQWSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001392566942 900664290 /nfs/dbraw/zinc/66/42/90/900664290.db2.gz FRKDMYSFIMVDBI-NSHDSACASA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001392571534 900665641 /nfs/dbraw/zinc/66/56/41/900665641.db2.gz AIHQKFJYBBKTSW-SDDRHHMPSA-N 2 0 286.420 -0.102 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001392588952 900671127 /nfs/dbraw/zinc/67/11/27/900671127.db2.gz FOCJWEORKXVDSO-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001392605047 900674786 /nfs/dbraw/zinc/67/47/86/900674786.db2.gz ZDXAOSHTCGCEQX-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001392608764 900677114 /nfs/dbraw/zinc/67/71/14/900677114.db2.gz SLFVDXLRFBLTEO-RYUDHWBXSA-N 2 0 294.399 -0.593 20 0 CBADRP C[NH+](C)CCC(=O)N1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001456376739 914468946 /nfs/dbraw/zinc/46/89/46/914468946.db2.gz KBKPVUCBRBFSRM-UHFFFAOYSA-N 2 0 296.415 -0.393 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001392796475 900727279 /nfs/dbraw/zinc/72/72/79/900727279.db2.gz DWYVFWARHSXXGO-PWSUYJOCSA-N 2 0 282.388 -0.702 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001392814317 900731498 /nfs/dbraw/zinc/73/14/98/900731498.db2.gz UOCDXZUUDIJODD-CHWSQXEVSA-N 2 0 296.415 -0.489 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+][C@H](C)C(N)=O)CC2)CC[N@@H+]1C ZINC001392908896 900757782 /nfs/dbraw/zinc/75/77/82/900757782.db2.gz SBZDNRUVQLYYNR-GRYCIOLGSA-N 2 0 296.415 -0.171 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+][C@@H](C)C(N)=O)CC2)CC[N@@H+]1C ZINC001392908899 900758430 /nfs/dbraw/zinc/75/84/30/900758430.db2.gz SBZDNRUVQLYYNR-SDDRHHMPSA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)[C@H](C(=O)NCC1([NH2+][C@H]2CCNC2=O)CC1)[NH+](C)C ZINC001392950667 900765337 /nfs/dbraw/zinc/76/53/37/900765337.db2.gz RXDCACMLYIIVQC-NWDGAFQWSA-N 2 0 296.415 -0.301 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001393039506 900784855 /nfs/dbraw/zinc/78/48/55/900784855.db2.gz CJSFAIOMULZXFC-CHWSQXEVSA-N 2 0 294.399 -0.606 20 0 CBADRP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O)[NH+](C)C ZINC001393058892 900787656 /nfs/dbraw/zinc/78/76/56/900787656.db2.gz QWTGGSWWSYCLSG-DGCLKSJQSA-N 2 0 284.404 -0.362 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@]2(O)CC[NH+](CCCO)C2)C1 ZINC001393279743 900826052 /nfs/dbraw/zinc/82/60/52/900826052.db2.gz FIEMNAKTTYCDSY-DZGCQCFKSA-N 2 0 299.415 -0.736 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001393380960 900848581 /nfs/dbraw/zinc/84/85/81/900848581.db2.gz BNKOHHGHRWXDFY-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP CN(C)C(=O)C[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001393420355 900854497 /nfs/dbraw/zinc/85/44/97/900854497.db2.gz RACHETBVKWAXOJ-BETUJISGSA-N 2 0 296.415 -0.584 20 0 CBADRP COC[C@H](O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001393568908 900876498 /nfs/dbraw/zinc/87/64/98/900876498.db2.gz HDUAGZAOUDVNIW-CYBMUJFWSA-N 2 0 299.415 -0.282 20 0 CBADRP C[C@H](O)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001393700906 900896021 /nfs/dbraw/zinc/89/60/21/900896021.db2.gz APZWIGOHNOAWRD-QWHCGFSZSA-N 2 0 299.415 -0.284 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001394004979 900948912 /nfs/dbraw/zinc/94/89/12/900948912.db2.gz URYHNPJPNTXNTF-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)CC[NH+](C)C ZINC001394022353 900950759 /nfs/dbraw/zinc/95/07/59/900950759.db2.gz HDWDSXXAZXGTHJ-UHFFFAOYSA-N 2 0 272.393 -0.502 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001394373452 901020231 /nfs/dbraw/zinc/02/02/31/901020231.db2.gz ZXKWXODQBULCKM-KKOKHZNYSA-N 2 0 282.388 -0.561 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]C/C=C\Cl ZINC001394584280 901071775 /nfs/dbraw/zinc/07/17/75/901071775.db2.gz WVYUVVMJDWUDSY-VRJVPJCWSA-N 2 0 275.780 -0.100 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]C/C=C/Cl ZINC001394584274 901072844 /nfs/dbraw/zinc/07/28/44/901072844.db2.gz WVYUVVMJDWUDSY-FWCMMDKOSA-N 2 0 275.780 -0.100 20 0 CBADRP CC[NH2+][C@H](CO)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001394643583 901103658 /nfs/dbraw/zinc/10/36/58/901103658.db2.gz YVMSHPRMUFHQKA-LBPRGKRZSA-N 2 0 283.376 -0.855 20 0 CBADRP C[C@H]1[C@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)CC[NH+](C)C ZINC001394664343 901112776 /nfs/dbraw/zinc/11/27/76/901112776.db2.gz BLAVGKIMKJJKCD-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001394663050 901113062 /nfs/dbraw/zinc/11/30/62/901113062.db2.gz KNVDJWASPFYTAJ-WCQYABFASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CN1C(=O)CCC[NH+](C)C ZINC001394670529 901115073 /nfs/dbraw/zinc/11/50/73/901115073.db2.gz OBRQOQWTFFXYJA-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC)C[C@H]1C ZINC001394667395 901115281 /nfs/dbraw/zinc/11/52/81/901115281.db2.gz IWTSBNLKEDZAPF-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001394670401 901117175 /nfs/dbraw/zinc/11/71/75/901117175.db2.gz LZDIBNLQYXVRSJ-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001394808653 901157924 /nfs/dbraw/zinc/15/79/24/901157924.db2.gz CNEPUOWMZFEZSV-WDEREUQCSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H]([NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C)C(N)=O ZINC001394832004 901163082 /nfs/dbraw/zinc/16/30/82/901163082.db2.gz LPJSYRJJVYZVIB-WDEREUQCSA-N 2 0 286.420 -0.068 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C)C(N)=O ZINC001394831995 901163202 /nfs/dbraw/zinc/16/32/02/901163202.db2.gz LPJSYRJJVYZVIB-GHMZBOCLSA-N 2 0 286.420 -0.068 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC)C1)[NH+](C)C ZINC001397066625 901363461 /nfs/dbraw/zinc/36/34/61/901363461.db2.gz XJXBLMVFJSNEPA-FVCCEPFGSA-N 2 0 298.431 -0.055 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001397131443 901367677 /nfs/dbraw/zinc/36/76/77/901367677.db2.gz QPHUAXMARDZPIE-SRVKXCTJSA-N 2 0 296.415 -0.314 20 0 CBADRP CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CCC[NH+]1C ZINC001397930456 901479971 /nfs/dbraw/zinc/47/99/71/901479971.db2.gz WHTNRVJYXMVGDZ-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[C@@H](C(=O)NCCN1CC[NH+](CCO)CC1)[NH+](C)C ZINC001398277723 901518308 /nfs/dbraw/zinc/51/83/08/901518308.db2.gz OSDFNFNCZFHPIT-ZDUSSCGKSA-N 2 0 286.420 -0.947 20 0 CBADRP CC[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)N(C)C)C1CC1)[NH+](C)C ZINC001398444665 901540877 /nfs/dbraw/zinc/54/08/77/901540877.db2.gz HSCIKZDGYIPGIP-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@H](O)COC)C1)[NH+](C)C ZINC001398526727 901549786 /nfs/dbraw/zinc/54/97/86/901549786.db2.gz CEERSULUDJUWBI-RWMBFGLXSA-N 2 0 287.404 -0.476 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001398534764 901550649 /nfs/dbraw/zinc/55/06/49/901550649.db2.gz TXZVFMBLBBCWRW-NWDGAFQWSA-N 2 0 282.388 -0.594 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@@H](O)COC)C1)[NH+](C)C ZINC001398526730 901551217 /nfs/dbraw/zinc/55/12/17/901551217.db2.gz CEERSULUDJUWBI-XQQFMLRXSA-N 2 0 287.404 -0.476 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001398553267 901557355 /nfs/dbraw/zinc/55/73/55/901557355.db2.gz KAFQJGTWUTXZGD-HAQNSBGRSA-N 2 0 282.388 -0.689 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001398551542 901558692 /nfs/dbraw/zinc/55/86/92/901558692.db2.gz DQTXIFMSVUHXCP-SYQHCUMBSA-N 2 0 299.415 -0.428 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001398554248 901558758 /nfs/dbraw/zinc/55/87/58/901558758.db2.gz BNFOFHLIOZECEP-JOCQHMNTSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1)[NH+](C)C ZINC001398625156 901578233 /nfs/dbraw/zinc/57/82/33/901578233.db2.gz MZTYDNYSECYPKG-LOWVWBTDSA-N 2 0 294.403 -0.108 20 0 CBADRP C[NH+](C)CCC(=O)N1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001398626231 901579292 /nfs/dbraw/zinc/57/92/92/901579292.db2.gz QDPYCRPFRIFJLN-UHFFFAOYSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001398673352 901587889 /nfs/dbraw/zinc/58/78/89/901587889.db2.gz UCXUXUHMRBDHOY-YVECIDJPSA-N 2 0 296.415 -0.302 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C)C(N)=O ZINC001398763481 901602969 /nfs/dbraw/zinc/60/29/69/901602969.db2.gz OVFPDHMHNBJNJB-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+][C@H]1CCNC1=O ZINC001399163843 901678015 /nfs/dbraw/zinc/67/80/15/901678015.db2.gz OFGVHSQLAPRDSZ-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001399250934 901687987 /nfs/dbraw/zinc/68/79/87/901687987.db2.gz YUHHVKFZGABCHA-VXGBXAGGSA-N 2 0 282.388 -0.878 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001399258764 901688478 /nfs/dbraw/zinc/68/84/78/901688478.db2.gz XCHJWLDUMNXOEQ-VXGBXAGGSA-N 2 0 284.404 -0.362 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001399273159 901692028 /nfs/dbraw/zinc/69/20/28/901692028.db2.gz NJFZYFLSLJVESX-RYUDHWBXSA-N 2 0 296.415 -0.170 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001399489784 901734429 /nfs/dbraw/zinc/73/44/29/901734429.db2.gz VSBOLCNBCVUYGV-UONOGXRCSA-N 2 0 299.415 -0.617 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](CC)CCNC(=O)C[NH+]1CCCC1 ZINC001399817827 901811530 /nfs/dbraw/zinc/81/15/30/901811530.db2.gz AJICEPAABAJSOQ-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001400063744 901870671 /nfs/dbraw/zinc/87/06/71/901870671.db2.gz FYDRHLSJKSPXRV-WDEREUQCSA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)N(C)C ZINC001400064821 901870697 /nfs/dbraw/zinc/87/06/97/901870697.db2.gz DOGSFOOXEBRMQP-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP CCC[N@H+](C)CCC(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001400084580 901875496 /nfs/dbraw/zinc/87/54/96/901875496.db2.gz VDTOGNMSWHOKSG-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)NC(=O)C[NH+]1CCCC1 ZINC001400206699 901897158 /nfs/dbraw/zinc/89/71/58/901897158.db2.gz KGSJMVDWGBJGGF-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001400307155 901910538 /nfs/dbraw/zinc/91/05/38/901910538.db2.gz GEJKIWLFCAFERZ-IHRRRGAJSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001400307159 901911564 /nfs/dbraw/zinc/91/15/64/901911564.db2.gz GEJKIWLFCAFERZ-RDBSUJKOSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001400426673 901940016 /nfs/dbraw/zinc/94/00/16/901940016.db2.gz VFADZQKCLHEBPO-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001400620426 901979265 /nfs/dbraw/zinc/97/92/65/901979265.db2.gz KOUJDUOEHKVSMZ-KBPBESRZSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001400739478 902007545 /nfs/dbraw/zinc/00/75/45/902007545.db2.gz NUDLYJCWJRXJRV-KGLIPLIRSA-N 2 0 299.415 -0.378 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001400787809 902012969 /nfs/dbraw/zinc/01/29/69/902012969.db2.gz BTDKBHCXNNZIRT-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001401009181 902040804 /nfs/dbraw/zinc/04/08/04/902040804.db2.gz MICPTJJRPWVNFQ-IAQYHMDHSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1nncn1C ZINC001401125409 902061266 /nfs/dbraw/zinc/06/12/66/902061266.db2.gz OITXANRZFMVYFS-VXGBXAGGSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)CC[NH+](C)C)CCCC1)C(N)=O ZINC001401182364 902073446 /nfs/dbraw/zinc/07/34/46/902073446.db2.gz KLFMALJIQCFHJG-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001401251627 902092020 /nfs/dbraw/zinc/09/20/20/902092020.db2.gz ATPVCQYHCSJFBN-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cccnc1 ZINC001401491593 902137822 /nfs/dbraw/zinc/13/78/22/902137822.db2.gz GWEGMSIMZKTGLV-UONOGXRCSA-N 2 0 292.383 -0.258 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001401493239 902139796 /nfs/dbraw/zinc/13/97/96/902139796.db2.gz NRBNERWEFCEWCJ-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccccn1)[NH+](C)C ZINC001401554773 902166379 /nfs/dbraw/zinc/16/63/79/902166379.db2.gz KSXXBGWOUPNONZ-KGLIPLIRSA-N 2 0 294.399 -0.012 20 0 CBADRP CC[NH2+]C[C@@H](O)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001401564860 902170431 /nfs/dbraw/zinc/17/04/31/902170431.db2.gz MZDLYDPCRUBVGY-GFCCVEGCSA-N 2 0 283.376 -0.855 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)CC[NH2+][C@H]1CCNC1=O ZINC001401601867 902181709 /nfs/dbraw/zinc/18/17/09/902181709.db2.gz FGDMLEFLXRLQBU-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001401609652 902188728 /nfs/dbraw/zinc/18/87/28/902188728.db2.gz LFJANGKTVMSJKN-NEPJUHHUSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001401641927 902206002 /nfs/dbraw/zinc/20/60/02/902206002.db2.gz UOTOZXMWODGOPE-YPMHNXCESA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001401678361 902222227 /nfs/dbraw/zinc/22/22/27/902222227.db2.gz BIJWWOTYFVBIMW-OUAUKWLOSA-N 2 0 272.393 -0.459 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001401722194 902243115 /nfs/dbraw/zinc/24/31/15/902243115.db2.gz MYGPNTARRQFAIK-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001401860634 902292666 /nfs/dbraw/zinc/29/26/66/902292666.db2.gz GOXUSQJZTKXHHL-AAEUAGOBSA-N 2 0 281.400 -0.053 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)CC[NH+](C)C)CC1)C(=O)N(C)C ZINC001401963324 902328862 /nfs/dbraw/zinc/32/88/62/902328862.db2.gz NPACPMWZTSYLBA-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001401984927 902333189 /nfs/dbraw/zinc/33/31/89/902333189.db2.gz HXCKKZLWVODXHU-LBPRGKRZSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@@H]([NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1)C(N)=O ZINC001402033416 902342083 /nfs/dbraw/zinc/34/20/83/902342083.db2.gz QYGIJUYTBGOKBA-LLVKDONJSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001402058899 902345147 /nfs/dbraw/zinc/34/51/47/902345147.db2.gz PSRKAZKVWJADNQ-NEPJUHHUSA-N 2 0 296.415 -0.075 20 0 CBADRP CN1CCC[C@@H]([N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001402177887 902380539 /nfs/dbraw/zinc/38/05/39/902380539.db2.gz CKGOAIFJRDDWCS-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001402314349 902422767 /nfs/dbraw/zinc/42/27/67/902422767.db2.gz XWOCTTFRINWDCS-RTXFEEFZSA-N 2 0 296.415 -0.443 20 0 CBADRP C[C@H]([NH2+][C@H](CNC(=O)CC[NH+](C)C)C1CC1)C(=O)N(C)C ZINC001402345151 902429115 /nfs/dbraw/zinc/42/91/15/902429115.db2.gz MZTMTSJDHYLCPG-WCQYABFASA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001402371118 902439495 /nfs/dbraw/zinc/43/94/95/902439495.db2.gz GXFZPHQIEUOAGX-LBPRGKRZSA-N 2 0 284.404 -0.443 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001402371117 902440116 /nfs/dbraw/zinc/44/01/16/902440116.db2.gz GXFZPHQIEUOAGX-GFCCVEGCSA-N 2 0 284.404 -0.443 20 0 CBADRP COC[C@H](C)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001402385640 902440240 /nfs/dbraw/zinc/44/02/40/902440240.db2.gz LQDNQBFMGLIKJF-RYUDHWBXSA-N 2 0 285.388 -0.864 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001402402705 902442253 /nfs/dbraw/zinc/44/22/53/902442253.db2.gz JJEZYXPSNICAFP-ZDUSSCGKSA-N 2 0 296.415 -0.262 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001402463109 902457578 /nfs/dbraw/zinc/45/75/78/902457578.db2.gz QCVMAJZHGJLEEB-AAEUAGOBSA-N 2 0 294.399 -0.593 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001402497831 902465794 /nfs/dbraw/zinc/46/57/94/902465794.db2.gz SAZHQTOVJFXVTR-JOCQHMNTSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001402520180 902471911 /nfs/dbraw/zinc/47/19/11/902471911.db2.gz YZCQUBLUEUEKRN-JHJVBQTASA-N 2 0 296.415 -0.158 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC001402537936 902474640 /nfs/dbraw/zinc/47/46/40/902474640.db2.gz RWUIBJNHMZDLQA-DBIOUOCHSA-N 2 0 270.377 -0.563 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001402604852 902491017 /nfs/dbraw/zinc/49/10/17/902491017.db2.gz GCDJHZXJFQZFGC-RTXFEEFZSA-N 2 0 296.415 -0.158 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001402632640 902494018 /nfs/dbraw/zinc/49/40/18/902494018.db2.gz PKDYKVDESIGULL-SDDRHHMPSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NC)C1 ZINC001402787923 902518543 /nfs/dbraw/zinc/51/85/43/902518543.db2.gz NWWFMPICECMMKC-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NC)C1 ZINC001402799537 902523559 /nfs/dbraw/zinc/52/35/59/902523559.db2.gz ZHTJYPNHFLSKFY-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC001402861495 902543062 /nfs/dbraw/zinc/54/30/62/902543062.db2.gz LXXUVKMSIODBSG-QWRGUYRKSA-N 2 0 272.393 -0.315 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001402908714 902559256 /nfs/dbraw/zinc/55/92/56/902559256.db2.gz QAFWVZOAQHTZTR-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CN(C)C(=O)C[NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001402948837 902571410 /nfs/dbraw/zinc/57/14/10/902571410.db2.gz CXNCUELOELSVDI-UHFFFAOYSA-N 2 0 284.404 -0.489 20 0 CBADRP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001402992616 902586774 /nfs/dbraw/zinc/58/67/74/902586774.db2.gz LEZWWKKQCVCYTK-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H]1CCCNC1=O ZINC001402996579 902587059 /nfs/dbraw/zinc/58/70/59/902587059.db2.gz AJIGMTNLPSSLCS-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H](C)[NH2+]CC(N)=O ZINC001402995322 902587226 /nfs/dbraw/zinc/58/72/26/902587226.db2.gz GWIDKGJNOOXFHU-NXEZZACHSA-N 2 0 270.377 -0.561 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001403047613 902597449 /nfs/dbraw/zinc/59/74/49/902597449.db2.gz JYFMBHYITKWDNW-NEPJUHHUSA-N 2 0 286.420 -0.055 20 0 CBADRP CNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001403053098 902601060 /nfs/dbraw/zinc/60/10/60/902601060.db2.gz GUQJXHCAXGTYGK-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001403107086 902615290 /nfs/dbraw/zinc/61/52/90/902615290.db2.gz RXUIPCMPECKQNZ-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001403156477 902630822 /nfs/dbraw/zinc/63/08/22/902630822.db2.gz DSGFWIDREJOCQO-NSHDSACASA-N 2 0 284.404 -0.301 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@H]1CCN(C)C1=O ZINC001403181563 902640075 /nfs/dbraw/zinc/64/00/75/902640075.db2.gz ACGGWYXYCNSCJR-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001403224570 902654000 /nfs/dbraw/zinc/65/40/00/902654000.db2.gz PAWOXRQYMKODFK-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001403320203 902668260 /nfs/dbraw/zinc/66/82/60/902668260.db2.gz CUJXKGWWKNVZHB-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC(N)=O ZINC001403368580 902678201 /nfs/dbraw/zinc/67/82/01/902678201.db2.gz AJDMQUBGZYCGGN-VXGBXAGGSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001403407410 902684701 /nfs/dbraw/zinc/68/47/01/902684701.db2.gz IRFQMAPSSYGZIT-LPWJVIDDSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+][C@@H]1CCNC1=O ZINC001403435766 902690036 /nfs/dbraw/zinc/69/00/36/902690036.db2.gz SAQLYPXQIQSEDR-WCQYABFASA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1nnnn1C ZINC001403435830 902690324 /nfs/dbraw/zinc/69/03/24/902690324.db2.gz SIKVCXMBDYNFJF-SNVBAGLBSA-N 2 0 283.380 -0.854 20 0 CBADRP CNC(=O)C[N@H+](C)C1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001403472279 902695153 /nfs/dbraw/zinc/69/51/53/902695153.db2.gz YMKLQYWGRWRRSP-UHFFFAOYSA-N 2 0 293.371 -0.379 20 0 CBADRP CC(C)[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@H]1CCNC1=O ZINC001403482987 902698459 /nfs/dbraw/zinc/69/84/59/902698459.db2.gz UYHWKEQVNVHQME-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP CN(C(=O)C[N@H+](C)C1CCC1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001403520991 902709803 /nfs/dbraw/zinc/70/98/03/902709803.db2.gz WMHHCDDQCBGWMW-CYBMUJFWSA-N 2 0 296.415 -0.217 20 0 CBADRP CN(C(=O)C[N@H+](C)C1CCC1)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001403520998 902711700 /nfs/dbraw/zinc/71/17/00/902711700.db2.gz WMHHCDDQCBGWMW-ZDUSSCGKSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H](CN(C)C(=O)c1ccn(CC[NH+](C)C)n1)[NH2+]CCO ZINC001403547691 902724368 /nfs/dbraw/zinc/72/43/68/902724368.db2.gz FPBAMVJJRFIKGN-GFCCVEGCSA-N 2 0 297.403 -0.513 20 0 CBADRP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC)[NH+](C)C ZINC001403558767 902734914 /nfs/dbraw/zinc/73/49/14/902734914.db2.gz AEGUAMCTGIZXNS-GHMZBOCLSA-N 2 0 272.393 -0.491 20 0 CBADRP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCn1cncn1 ZINC001403591546 902745331 /nfs/dbraw/zinc/74/53/31/902745331.db2.gz VSRANQIOPIEELR-CHWSQXEVSA-N 2 0 294.403 -0.191 20 0 CBADRP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC1CC1 ZINC001403621629 902757690 /nfs/dbraw/zinc/75/76/90/902757690.db2.gz DGXSRBLQVZSGTD-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)[C@H](C)N(C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001403749148 902833537 /nfs/dbraw/zinc/83/35/37/902833537.db2.gz KATYADODFLDVJK-NWDGAFQWSA-N 2 0 286.420 -0.245 20 0 CBADRP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)[C@H]1CCN(C)C1=O ZINC001403953402 902912972 /nfs/dbraw/zinc/91/29/72/902912972.db2.gz UDTNCUAGOAAYJX-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](C)C(=O)NC ZINC001403940789 902913540 /nfs/dbraw/zinc/91/35/40/902913540.db2.gz QHOSCEJZBJOIHV-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP CN(C(=O)C1([NH+](C)C)CCC1)C1CC([NH2+]CC(N)=O)C1 ZINC001404025267 902924234 /nfs/dbraw/zinc/92/42/34/902924234.db2.gz RFJPVEZZYLNPHT-UHFFFAOYSA-N 2 0 282.388 -0.465 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001404538178 902998874 /nfs/dbraw/zinc/99/88/74/902998874.db2.gz SUYRMYMLTBDPPN-GFCCVEGCSA-N 2 0 284.404 -0.358 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001404538183 902999417 /nfs/dbraw/zinc/99/94/17/902999417.db2.gz SUYRMYMLTBDPPN-LBPRGKRZSA-N 2 0 284.404 -0.358 20 0 CBADRP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H](C)C(N)=O ZINC001405379691 903159982 /nfs/dbraw/zinc/15/99/82/903159982.db2.gz OJHBVIBQSIKEFE-MNOVXSKESA-N 2 0 284.404 -0.171 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001405610919 903188907 /nfs/dbraw/zinc/18/89/07/903188907.db2.gz WRJRZDSMXXLKPU-GFCCVEGCSA-N 2 0 294.399 -0.319 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001405689300 903202683 /nfs/dbraw/zinc/20/26/83/903202683.db2.gz HKGMGEHIZORFDV-NSHDSACASA-N 2 0 284.404 -0.584 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001405748861 903211059 /nfs/dbraw/zinc/21/10/59/903211059.db2.gz ZFYOLHCPYXKREW-CHWSQXEVSA-N 2 0 298.431 -0.194 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001405871384 903241024 /nfs/dbraw/zinc/24/10/24/903241024.db2.gz ZBFDFZYXXXGCIU-AVGNSLFASA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001405928109 903250023 /nfs/dbraw/zinc/25/00/23/903250023.db2.gz MCSBCYVUUSPWOM-FRRDWIJNSA-N 2 0 298.431 -0.068 20 0 CBADRP CC[C@@H](F)C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001406293128 903341372 /nfs/dbraw/zinc/34/13/72/903341372.db2.gz ZGYIMIYVDFXILE-NEPJUHHUSA-N 2 0 287.379 -0.103 20 0 CBADRP C[C@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001406303888 903350263 /nfs/dbraw/zinc/35/02/63/903350263.db2.gz BLPAAJQXUJLTTA-YPMHNXCESA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)c1 ZINC001406310474 903350531 /nfs/dbraw/zinc/35/05/31/903350531.db2.gz UFHPJPHONLBNSS-CYBMUJFWSA-N 2 0 297.403 -0.673 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001406321299 903355925 /nfs/dbraw/zinc/35/59/25/903355925.db2.gz GMGUCKAUDXCYKL-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001406326712 903357741 /nfs/dbraw/zinc/35/77/41/903357741.db2.gz MRGCQKRLZLJTNC-STQMWFEESA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001406373011 903383138 /nfs/dbraw/zinc/38/31/38/903383138.db2.gz GXUYOWHHPOCKOC-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001406503965 903418163 /nfs/dbraw/zinc/41/81/63/903418163.db2.gz SWLBVEZOJQPDAM-WDEREUQCSA-N 2 0 272.393 -0.491 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001406394330 903391166 /nfs/dbraw/zinc/39/11/66/903391166.db2.gz PQMFNGJWOYNJGK-AGIUHOORSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001406429502 903398990 /nfs/dbraw/zinc/39/89/90/903398990.db2.gz HVXPBSLKSVYJOT-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CC[NH+]1CCCCC1 ZINC001406433542 903400611 /nfs/dbraw/zinc/40/06/11/903400611.db2.gz SGDSNKHDACQEEK-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001406481944 903414804 /nfs/dbraw/zinc/41/48/04/903414804.db2.gz NGYAMTDDOYZFBU-AAEUAGOBSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001406499387 903419425 /nfs/dbraw/zinc/41/94/25/903419425.db2.gz NLPPXKJPYXHVPV-NSHDSACASA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001406510396 903421952 /nfs/dbraw/zinc/42/19/52/903421952.db2.gz DDFYNTYKQKGRNF-XQQFMLRXSA-N 2 0 296.415 -0.156 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C ZINC001406511410 903423978 /nfs/dbraw/zinc/42/39/78/903423978.db2.gz JSDVISPPAMOQCQ-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP C[C@@H](C[NH2+]Cc1nccn1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001406562030 903433020 /nfs/dbraw/zinc/43/30/20/903433020.db2.gz PEDVZXMVLOTRLU-RYUDHWBXSA-N 2 0 279.388 -0.034 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCCN(C)C1=O)NC(=O)C[NH+]1CCCC1 ZINC001406565257 903433504 /nfs/dbraw/zinc/43/35/04/903433504.db2.gz VSSIMGAOYSRUAV-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001406648783 903458517 /nfs/dbraw/zinc/45/85/17/903458517.db2.gz ARHDMNRNJYDMJO-WDEREUQCSA-N 2 0 272.393 -0.362 20 0 CBADRP NC(=O)C[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001406765037 903474493 /nfs/dbraw/zinc/47/44/93/903474493.db2.gz UBUUMNXUNGWZDE-LBPRGKRZSA-N 2 0 294.399 -0.416 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001406795992 903478079 /nfs/dbraw/zinc/47/80/79/903478079.db2.gz WKKQKKYOLDFTHG-CHWSQXEVSA-N 2 0 296.415 -0.441 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001406812724 903482458 /nfs/dbraw/zinc/48/24/58/903482458.db2.gz DAAAXWPPLKSEHB-AAEUAGOBSA-N 2 0 298.431 -0.055 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC001406960879 903517257 /nfs/dbraw/zinc/51/72/57/903517257.db2.gz QTXJIUXQZFKOOP-NWDGAFQWSA-N 2 0 294.399 -0.545 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001407000163 903524583 /nfs/dbraw/zinc/52/45/83/903524583.db2.gz PDJDJGHFNDNOSO-RYUDHWBXSA-N 2 0 298.431 -0.055 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001406991707 903525528 /nfs/dbraw/zinc/52/55/28/903525528.db2.gz WOJFKPHUFKAJIB-NSHDSACASA-N 2 0 294.399 -0.545 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001406986288 903526057 /nfs/dbraw/zinc/52/60/57/903526057.db2.gz HRUHYWOIIQKNHI-QWRGUYRKSA-N 2 0 282.388 -0.560 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001407241187 903560894 /nfs/dbraw/zinc/56/08/94/903560894.db2.gz RUMZVFDQXHKPJT-DOMZBBRYSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@H+](CCCO)C2)CC1 ZINC001407369956 903582682 /nfs/dbraw/zinc/58/26/82/903582682.db2.gz UBIVZFNZUSDCRW-HNNXBMFYSA-N 2 0 299.415 -0.736 20 0 CBADRP CO[C@H](C)C[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001407378657 903587458 /nfs/dbraw/zinc/58/74/58/903587458.db2.gz DLWHLSILLBJXFN-UKRRQHHQSA-N 2 0 299.415 -0.330 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1)[NH+](C)C ZINC001407393051 903592640 /nfs/dbraw/zinc/59/26/40/903592640.db2.gz RSASDRVJVZIADP-JSGCOSHPSA-N 2 0 287.404 -0.882 20 0 CBADRP C[C@H](O)CCCN1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001407474607 903614845 /nfs/dbraw/zinc/61/48/45/903614845.db2.gz VIHNVKBEZYVNKW-ZDUSSCGKSA-N 2 0 299.415 -0.594 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001407534876 903623944 /nfs/dbraw/zinc/62/39/44/903623944.db2.gz IMQMZHWPLPELDX-NEPJUHHUSA-N 2 0 284.404 -0.502 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)NC)C[C@@H]2C1 ZINC001407587631 903632732 /nfs/dbraw/zinc/63/27/32/903632732.db2.gz CIRAFHANZUQUBN-BETUJISGSA-N 2 0 296.415 -0.536 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001407754849 903656797 /nfs/dbraw/zinc/65/67/97/903656797.db2.gz DUVFWQWJQWHRHI-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001407860358 903668406 /nfs/dbraw/zinc/66/84/06/903668406.db2.gz OYXPFGWAUJNAEY-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CN(CCC[N@H+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001407880343 903676261 /nfs/dbraw/zinc/67/62/61/903676261.db2.gz SJRFEPAQSJFIFL-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001407883413 903677013 /nfs/dbraw/zinc/67/70/13/903677013.db2.gz YJPLCEHCZNXQBD-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001407901974 903679309 /nfs/dbraw/zinc/67/93/09/903679309.db2.gz FJUBROCNSGCTMB-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001408214949 903731114 /nfs/dbraw/zinc/73/11/14/903731114.db2.gz FOCYALPYBMCYHD-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+][C@H]1CCNC1=O ZINC001408220751 903733081 /nfs/dbraw/zinc/73/30/81/903733081.db2.gz NEXCIQAECCSUMX-SDDRHHMPSA-N 2 0 282.388 -0.547 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001408243904 903735061 /nfs/dbraw/zinc/73/50/61/903735061.db2.gz SDDCBJFAKWOIPM-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001408595261 903790254 /nfs/dbraw/zinc/79/02/54/903790254.db2.gz SPTKNHSSLCPHNL-ZDUSSCGKSA-N 2 0 298.431 -0.147 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC(NC(=O)CC[N@@H+](C)CC)C1 ZINC001409108400 903851324 /nfs/dbraw/zinc/85/13/24/903851324.db2.gz QCTPAMKORUOLEA-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CNC(=O)C[NH2+]CC1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001409274303 903874612 /nfs/dbraw/zinc/87/46/12/903874612.db2.gz GZFQRIUPRJPLLK-HIFPTAJRSA-N 2 0 296.415 -0.441 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)CC(N)=O)CC1 ZINC001410256895 904051826 /nfs/dbraw/zinc/05/18/26/904051826.db2.gz ZRTXQGFULJOWNR-UHFFFAOYSA-N 2 0 284.404 -0.264 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001410336858 904069868 /nfs/dbraw/zinc/06/98/68/904069868.db2.gz WGGGLHCKHOEXRM-QWHCGFSZSA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC(N)=O ZINC001410368362 904083172 /nfs/dbraw/zinc/08/31/72/904083172.db2.gz BEQLIXFCYROKKO-CMPLNLGQSA-N 2 0 282.388 -0.750 20 0 CBADRP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC)[NH+](C)C ZINC001410427294 904093841 /nfs/dbraw/zinc/09/38/41/904093841.db2.gz AEGUAMCTGIZXNS-QWRGUYRKSA-N 2 0 272.393 -0.491 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410478848 904104764 /nfs/dbraw/zinc/10/47/64/904104764.db2.gz ATONQEJTTINSPH-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]C[C@@H]2CCOC2)CC1 ZINC001410735307 904176736 /nfs/dbraw/zinc/17/67/36/904176736.db2.gz SBQALJBIBYGKBM-JSGCOSHPSA-N 2 0 299.415 -0.569 20 0 CBADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H](CO)[NH2+]CCO)c1 ZINC001410789830 904187362 /nfs/dbraw/zinc/18/73/62/904187362.db2.gz PSWGZCNRIJZICJ-CQSZACIVSA-N 2 0 295.383 -0.579 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H]1C ZINC001410868213 904199004 /nfs/dbraw/zinc/19/90/04/904199004.db2.gz VPAOZYIHYXTZFA-MNOVXSKESA-N 2 0 270.377 -0.609 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001410868225 904199153 /nfs/dbraw/zinc/19/91/53/904199153.db2.gz VPAOZYIHYXTZFA-WDEREUQCSA-N 2 0 270.377 -0.609 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001410865894 904200441 /nfs/dbraw/zinc/20/04/41/904200441.db2.gz OYTDSUFYBPJTOU-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001410920380 904204958 /nfs/dbraw/zinc/20/49/58/904204958.db2.gz YIVZFZSCMHTVHB-IUODEOHRSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001410939680 904205726 /nfs/dbraw/zinc/20/57/26/904205726.db2.gz NSJXJRAJBFTGPD-RYUDHWBXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CCO)CC[N@@H+]1C ZINC001411171585 904250446 /nfs/dbraw/zinc/25/04/46/904250446.db2.gz RFZUTKSALTVDKZ-FRRDWIJNSA-N 2 0 287.404 -0.930 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C)C1 ZINC001411218530 904260906 /nfs/dbraw/zinc/26/09/06/904260906.db2.gz PYDKQCIJSQNRHT-NEPJUHHUSA-N 2 0 298.431 -0.066 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C)C1 ZINC001411218535 904263708 /nfs/dbraw/zinc/26/37/08/904263708.db2.gz PYDKQCIJSQNRHT-VXGBXAGGSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@H]1NC(=O)N(CC[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1=O ZINC001460602143 914800120 /nfs/dbraw/zinc/80/01/20/914800120.db2.gz FMQNVVUENKPVKH-UTUOFQBUSA-N 2 0 280.372 -0.190 20 0 CBADRP C[NH+]1CCN(CCNC(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001411619116 904325428 /nfs/dbraw/zinc/32/54/28/904325428.db2.gz QKGMBNJHZHFEEA-ZDUSSCGKSA-N 2 0 286.395 -0.216 20 0 CBADRP CC[N@H+](C)[C@@H]1CCN(C[C@H](O)C[NH+](C)CCOC)C1 ZINC001460993530 914846322 /nfs/dbraw/zinc/84/63/22/914846322.db2.gz TXQJKEUROUCWTO-ZIAGYGMSSA-N 2 0 273.421 -0.049 20 0 CBADRP C[C@H]1C[N@H+](CCO)CCN1C[C@@H](O)C[NH+](C)C1CC1 ZINC001412995177 904851224 /nfs/dbraw/zinc/85/12/24/904851224.db2.gz LCAHOJLSLWRLNU-JSGCOSHPSA-N 2 0 271.405 -0.560 20 0 CBADRP COC(=O)[C@@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)CC[NH+](C)C1 ZINC001413004280 904860081 /nfs/dbraw/zinc/86/00/81/904860081.db2.gz APQFDUJFLMMJTC-JSGCOSHPSA-N 2 0 299.415 -0.522 20 0 CBADRP CC[NH+]1CCC(C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001413240412 904978655 /nfs/dbraw/zinc/97/86/55/904978655.db2.gz WGXRNHAFHSVIQE-VXGBXAGGSA-N 2 0 282.388 -0.763 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001414543073 905442787 /nfs/dbraw/zinc/44/27/87/905442787.db2.gz YCPSYRQPCBLKLK-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001415258712 905593060 /nfs/dbraw/zinc/59/30/60/905593060.db2.gz SSWLLRBJYIIRFJ-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001416029084 905693873 /nfs/dbraw/zinc/69/38/73/905693873.db2.gz HIENBVLMFZCLIT-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCC(=O)N1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001416023138 905693892 /nfs/dbraw/zinc/69/38/92/905693892.db2.gz MEOIRPGJIYWEQU-UHFFFAOYSA-N 2 0 294.399 -0.639 20 0 CBADRP CC[C@@H](C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC001416029106 905693972 /nfs/dbraw/zinc/69/39/72/905693972.db2.gz HSWHIDUDWMERLC-YPMHNXCESA-N 2 0 296.415 -0.395 20 0 CBADRP CC[C@@H](C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC001416029105 905694349 /nfs/dbraw/zinc/69/43/49/905694349.db2.gz HSWHIDUDWMERLC-AAEUAGOBSA-N 2 0 296.415 -0.395 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001416029083 905695004 /nfs/dbraw/zinc/69/50/04/905695004.db2.gz HIENBVLMFZCLIT-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001417245712 905882498 /nfs/dbraw/zinc/88/24/98/905882498.db2.gz PNJQOGFTVYHDBI-ZDUSSCGKSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001417779168 906051233 /nfs/dbraw/zinc/05/12/33/906051233.db2.gz UDSMDZVULGMFHV-UPJWGTAASA-N 2 0 296.415 -0.441 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001417797575 906054325 /nfs/dbraw/zinc/05/43/25/906054325.db2.gz QPJQKAWVKOTESW-XYPYZODXSA-N 2 0 270.377 -0.832 20 0 CBADRP CC[C@@H](C(N)=O)N1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001417913536 906100501 /nfs/dbraw/zinc/10/05/01/906100501.db2.gz PNBONKQKYKXIDA-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[C@H](C(N)=O)N1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001417913535 906102020 /nfs/dbraw/zinc/10/20/20/906102020.db2.gz PNBONKQKYKXIDA-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001418007900 906134421 /nfs/dbraw/zinc/13/44/21/906134421.db2.gz BXGZWFFUCJGOAQ-ZYHUDNBSSA-N 2 0 282.388 -0.702 20 0 CBADRP CCn1cc(C[NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)nn1 ZINC001418065042 906154621 /nfs/dbraw/zinc/15/46/21/906154621.db2.gz OUVLODMGUOQWRD-HAQNSBGRSA-N 2 0 294.403 -0.014 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001418076143 906160101 /nfs/dbraw/zinc/16/01/01/906160101.db2.gz ZQUVMHZUEWQULK-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001418208938 906207614 /nfs/dbraw/zinc/20/76/14/906207614.db2.gz DZPSVUHUSRWVBL-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001418237629 906231393 /nfs/dbraw/zinc/23/13/93/906231393.db2.gz PRPOLJUVUBWJJQ-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@H]1CCNC1=O ZINC001418264843 906246069 /nfs/dbraw/zinc/24/60/69/906246069.db2.gz DGOZHFBVYZALOV-JQWIXIFHSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H]1CCCN(C)C1=O ZINC001418264633 906249495 /nfs/dbraw/zinc/24/94/95/906249495.db2.gz CVFAPYPFZAKBMH-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+][C@H]1CCNC1=O ZINC001418272459 906251649 /nfs/dbraw/zinc/25/16/49/906251649.db2.gz CFSJXMZHMHVDPF-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001418314908 906277895 /nfs/dbraw/zinc/27/78/95/906277895.db2.gz VMMNCTHZGOIRJQ-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001418348768 906292505 /nfs/dbraw/zinc/29/25/05/906292505.db2.gz JYPJSGBJUAPFGZ-LBPRGKRZSA-N 2 0 294.399 -0.734 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001418357066 906293993 /nfs/dbraw/zinc/29/39/93/906293993.db2.gz NHRMPNUBNKOMPG-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CCNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@H]1CCNC1=O ZINC001418415278 906311023 /nfs/dbraw/zinc/31/10/23/906311023.db2.gz BBEKBERRYBJEPO-NEPJUHHUSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H](C)C(N)=O ZINC001418428635 906319458 /nfs/dbraw/zinc/31/94/58/906319458.db2.gz WXIUGCXLSMVZMU-MNOVXSKESA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H](C)C(N)=O ZINC001418428632 906320510 /nfs/dbraw/zinc/32/05/10/906320510.db2.gz WXIUGCXLSMVZMU-GHMZBOCLSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H](C(N)=O)N(C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001418471966 906352619 /nfs/dbraw/zinc/35/26/19/906352619.db2.gz XEJZOYBURRURAH-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001418658448 906436546 /nfs/dbraw/zinc/43/65/46/906436546.db2.gz MQOUAQPHVCOJBK-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001418691394 906449365 /nfs/dbraw/zinc/44/93/65/906449365.db2.gz ALIDVPVBSPUORG-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001418704560 906454180 /nfs/dbraw/zinc/45/41/80/906454180.db2.gz CMTUPHCMXPKOPS-AVGNSLFASA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001418734649 906457262 /nfs/dbraw/zinc/45/72/62/906457262.db2.gz VKKRVKZWYNIFLF-SDDRHHMPSA-N 2 0 284.404 -0.314 20 0 CBADRP CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001418817103 906485361 /nfs/dbraw/zinc/48/53/61/906485361.db2.gz QZAZVZKHTNVGCC-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)C(=O)NC1CC1 ZINC001418828686 906488569 /nfs/dbraw/zinc/48/85/69/906488569.db2.gz NGHRUBXKAPBOCK-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)CC[NH2+][C@H](C)C(=O)NC ZINC001418833354 906489749 /nfs/dbraw/zinc/48/97/49/906489749.db2.gz UPGWTKRRKSIKSO-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001418888744 906505746 /nfs/dbraw/zinc/50/57/46/906505746.db2.gz PAFQVZAMCQTSFA-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001418942360 906522288 /nfs/dbraw/zinc/52/22/88/906522288.db2.gz LSCPNNKEHIBXQU-LBPRGKRZSA-N 2 0 282.388 -0.652 20 0 CBADRP CCCNC(=O)CN1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001419037085 906568791 /nfs/dbraw/zinc/56/87/91/906568791.db2.gz DCCAWBHDPWUDRU-ZDUSSCGKSA-N 2 0 296.415 -0.488 20 0 CBADRP O=C(CN1CC(CNC(=O)C[NH+]2CCCC2)C1)NC1CC1 ZINC001419036602 906570524 /nfs/dbraw/zinc/57/05/24/906570524.db2.gz BVASQKFIUMOPDR-UHFFFAOYSA-N 2 0 294.399 -0.591 20 0 CBADRP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnnn1C ZINC001419176134 906628296 /nfs/dbraw/zinc/62/82/96/906628296.db2.gz HWGFUSUQFZFMIM-DGCLKSJQSA-N 2 0 294.403 -0.106 20 0 CBADRP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnnn1C ZINC001419176137 906628440 /nfs/dbraw/zinc/62/84/40/906628440.db2.gz HWGFUSUQFZFMIM-WCQYABFASA-N 2 0 294.403 -0.106 20 0 CBADRP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(=O)NC ZINC001419190782 906634859 /nfs/dbraw/zinc/63/48/59/906634859.db2.gz FNASHDWYZFPZPY-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@H](C)C(N)=O ZINC001419224729 906640130 /nfs/dbraw/zinc/64/01/30/906640130.db2.gz RVRHVCJZEIZETB-ZYHUDNBSSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H]([NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1)C(N)=O ZINC001419324056 906663371 /nfs/dbraw/zinc/66/33/71/906663371.db2.gz XDSKAZFSEGYIJI-LBPRGKRZSA-N 2 0 296.415 -0.025 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001419412193 906682848 /nfs/dbraw/zinc/68/28/48/906682848.db2.gz JQIFXXMFYXUROK-RNJOBUHISA-N 2 0 296.415 -0.301 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)[NH+](C)C ZINC001419416302 906683268 /nfs/dbraw/zinc/68/32/68/906683268.db2.gz ZECGBALSDYCXOC-AVGNSLFASA-N 2 0 294.403 -0.145 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]CC(=O)N(C)C ZINC001419490149 906704286 /nfs/dbraw/zinc/70/42/86/906704286.db2.gz YFRGUXYMZGWPEW-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1ncnn1C ZINC001419517481 906710542 /nfs/dbraw/zinc/71/05/42/906710542.db2.gz WKPTXCDITYCLDT-VXGBXAGGSA-N 2 0 294.403 -0.249 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001419516839 906710599 /nfs/dbraw/zinc/71/05/99/906710599.db2.gz WLTADIXUFQGGIT-STQMWFEESA-N 2 0 298.431 -0.194 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001419519688 906710668 /nfs/dbraw/zinc/71/06/68/906710668.db2.gz NQJURVKHCZESIU-YVECIDJPSA-N 2 0 296.415 -0.206 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1ncnn1C ZINC001419517477 906711788 /nfs/dbraw/zinc/71/17/88/906711788.db2.gz WKPTXCDITYCLDT-NWDGAFQWSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001419538295 906715819 /nfs/dbraw/zinc/71/58/19/906715819.db2.gz FPFORSKQNGXTHZ-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001419617798 906743825 /nfs/dbraw/zinc/74/38/25/906743825.db2.gz AXNAZWRXTVKKOY-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001419667104 906761563 /nfs/dbraw/zinc/76/15/63/906761563.db2.gz MPRLLIWURBWNLJ-LBPRGKRZSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC)CC[N@@H+]1C ZINC001419676077 906764700 /nfs/dbraw/zinc/76/47/00/906764700.db2.gz PRZLQUOGJYSZSW-RWMBFGLXSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)CCC[NH+](C)C ZINC001419705704 906773512 /nfs/dbraw/zinc/77/35/12/906773512.db2.gz RPVKPVWXIJTCHW-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCn1cncn1 ZINC001419712067 906779549 /nfs/dbraw/zinc/77/95/49/906779549.db2.gz DZBUDGIOBBRKPS-NEPJUHHUSA-N 2 0 280.376 -0.533 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnnn1C ZINC001419717129 906781027 /nfs/dbraw/zinc/78/10/27/906781027.db2.gz VZJSNKNKLZSDRT-ZYHUDNBSSA-N 2 0 280.376 -0.496 20 0 CBADRP C[C@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)CC[NH+](C)C ZINC001419720169 906782436 /nfs/dbraw/zinc/78/24/36/906782436.db2.gz XPHDQRDWFZFJDO-LLVKDONJSA-N 2 0 282.392 -0.297 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001419749318 906801297 /nfs/dbraw/zinc/80/12/97/906801297.db2.gz RVKCKJXEQIWBMM-OLZOCXBDSA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001419749308 906804327 /nfs/dbraw/zinc/80/43/27/906804327.db2.gz RVKCKJXEQIWBMM-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001419905276 906854050 /nfs/dbraw/zinc/85/40/50/906854050.db2.gz QUMWITBUHYYBRA-QWRGUYRKSA-N 2 0 282.388 -0.689 20 0 CBADRP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001419913400 906854473 /nfs/dbraw/zinc/85/44/73/906854473.db2.gz LSLQAEIOFFWJIH-GHMZBOCLSA-N 2 0 270.377 -0.704 20 0 CBADRP CC(C)[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@H](C)C(N)=O ZINC001419904186 906855132 /nfs/dbraw/zinc/85/51/32/906855132.db2.gz NMXQOGLHFCZBOO-VXGBXAGGSA-N 2 0 298.431 -0.068 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001419962278 906876026 /nfs/dbraw/zinc/87/60/26/906876026.db2.gz IQDLCURUSQISKD-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001420085376 906924580 /nfs/dbraw/zinc/92/45/80/906924580.db2.gz NRFCAADQLRMFEB-CHWSQXEVSA-N 2 0 296.415 -0.297 20 0 CBADRP NC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001420085342 906926195 /nfs/dbraw/zinc/92/61/95/906926195.db2.gz NNTLUFISYULBRS-NWDGAFQWSA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001420124061 906955457 /nfs/dbraw/zinc/95/54/57/906955457.db2.gz GRZWJTXSAYOTOE-WDEREUQCSA-N 2 0 284.404 -0.314 20 0 CBADRP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)on1 ZINC001420151213 906970346 /nfs/dbraw/zinc/97/03/46/906970346.db2.gz WBYPLUHFDXFIHW-LLVKDONJSA-N 2 0 284.360 -0.499 20 0 CBADRP CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001420155421 906973446 /nfs/dbraw/zinc/97/34/46/906973446.db2.gz OUKLDZSXHUUZMN-LBPRGKRZSA-N 2 0 287.404 -0.569 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC(N)=O ZINC001420161611 906978642 /nfs/dbraw/zinc/97/86/42/906978642.db2.gz COMJJKMPPBNISA-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP Cn1cncc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001420165380 906979976 /nfs/dbraw/zinc/97/99/76/906979976.db2.gz BFXJNEVSSUZXSQ-QWHCGFSZSA-N 2 0 295.387 -0.919 20 0 CBADRP Cc1oncc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001420165399 906981225 /nfs/dbraw/zinc/98/12/25/906981225.db2.gz BMTIEOWIFIAXGJ-CHWSQXEVSA-N 2 0 296.371 -0.356 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001420304601 907084127 /nfs/dbraw/zinc/08/41/27/907084127.db2.gz AIHQKFJYBBKTSW-GRYCIOLGSA-N 2 0 286.420 -0.102 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001420374205 907126765 /nfs/dbraw/zinc/12/67/65/907126765.db2.gz SLFVDXLRFBLTEO-VXGBXAGGSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001420444586 907165263 /nfs/dbraw/zinc/16/52/63/907165263.db2.gz MSRYSXGOOVBKOV-WDEREUQCSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001420467523 907175342 /nfs/dbraw/zinc/17/53/42/907175342.db2.gz HWVDFQQKUYJVNP-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001420499410 907184393 /nfs/dbraw/zinc/18/43/93/907184393.db2.gz GHWWHGCJESRXPS-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@@H](C[N@H+](C)CCn1cncn1)NC(=O)[C@H]1CCC[NH+]1C ZINC001420539498 907205941 /nfs/dbraw/zinc/20/59/41/907205941.db2.gz NCIKCDUYKSJMFM-QWHCGFSZSA-N 2 0 294.403 -0.191 20 0 CBADRP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001420730923 907282029 /nfs/dbraw/zinc/28/20/29/907282029.db2.gz XIWLFOPATBDNLW-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CC1)C(N)=O ZINC001420980990 907381560 /nfs/dbraw/zinc/38/15/60/907381560.db2.gz NXJPMLCQMGDHSK-LLVKDONJSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@@H]([NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CC1)C(N)=O ZINC001421006038 907391491 /nfs/dbraw/zinc/39/14/91/907391491.db2.gz QJYJVPXVWLGLNW-LLVKDONJSA-N 2 0 284.404 -0.171 20 0 CBADRP COC[C@H](O)C[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001421165892 907448369 /nfs/dbraw/zinc/44/83/69/907448369.db2.gz DHRRLIAMUDUXTE-CQSZACIVSA-N 2 0 299.415 -0.617 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@]1(O)CC[N@H+](CCO)C1)[NH+](C)C ZINC001421379589 907516668 /nfs/dbraw/zinc/51/66/68/907516668.db2.gz RSASDRVJVZIADP-TZMCWYRMSA-N 2 0 287.404 -0.882 20 0 CBADRP CC[C@H](C(=O)NC[C@H](CC)[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001421421521 907539446 /nfs/dbraw/zinc/53/94/46/907539446.db2.gz QCBXUWRHTAIWNR-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001421448814 907550923 /nfs/dbraw/zinc/55/09/23/907550923.db2.gz HVTDYXOBHSCCEC-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001421448809 907550970 /nfs/dbraw/zinc/55/09/70/907550970.db2.gz HVTDYXOBHSCCEC-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)(C(=O)N1CCO[C@@H](C[NH2+]CCO)C1)[NH+]1CCCC1 ZINC001502069562 921333511 /nfs/dbraw/zinc/33/35/11/921333511.db2.gz YEGNYMJTKDIDQB-ZDUSSCGKSA-N 2 0 299.415 -0.330 20 0 CBADRP CN(C[C@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)CC(F)(F)F ZINC001421487744 907565749 /nfs/dbraw/zinc/56/57/49/907565749.db2.gz XKZYKOSADHUBQG-MXWKQRLJSA-N 2 0 281.322 -0.007 20 0 CBADRP CN(C[C@@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CC(F)(F)F ZINC001421487746 907566325 /nfs/dbraw/zinc/56/63/25/907566325.db2.gz XKZYKOSADHUBQG-OUAUKWLOSA-N 2 0 281.322 -0.007 20 0 CBADRP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@H](C)C(=O)NC ZINC001421503453 907570356 /nfs/dbraw/zinc/57/03/56/907570356.db2.gz UFBXMCLWYWHJAI-NEPJUHHUSA-N 2 0 286.420 -0.055 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001421531710 907575215 /nfs/dbraw/zinc/57/52/15/907575215.db2.gz XKTYJLOBQWOIJK-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+](C)CCC(=O)NCCN1CCC([NH2+]CCO)CC1 ZINC001421585703 907582446 /nfs/dbraw/zinc/58/24/46/907582446.db2.gz JTBKSMRPJHPXNP-UHFFFAOYSA-N 2 0 286.420 -0.899 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001421698455 907617288 /nfs/dbraw/zinc/61/72/88/907617288.db2.gz HJJIXUMVEMTQOJ-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1cnnn1C ZINC001421764196 907637314 /nfs/dbraw/zinc/63/73/14/907637314.db2.gz CZXURGVPPRIHEQ-RYUDHWBXSA-N 2 0 294.403 -0.391 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1cnon1 ZINC001421770472 907639327 /nfs/dbraw/zinc/63/93/27/907639327.db2.gz OGUGXKPHEXERDD-QWRGUYRKSA-N 2 0 281.360 -0.137 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC(=O)NC1CC1 ZINC001421770505 907639497 /nfs/dbraw/zinc/63/94/97/907639497.db2.gz ORFMFCWKOGROEQ-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001502135091 921343585 /nfs/dbraw/zinc/34/35/85/921343585.db2.gz GXLCYMZUPGHYQX-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001421945184 907687544 /nfs/dbraw/zinc/68/75/44/907687544.db2.gz ZOGRZWTZEUESHE-NWDGAFQWSA-N 2 0 298.431 -0.101 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001421994216 907698499 /nfs/dbraw/zinc/69/84/99/907698499.db2.gz OHUKGACSNPSUGQ-CHWSQXEVSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001502205572 921346997 /nfs/dbraw/zinc/34/69/97/921346997.db2.gz GZELUMCKVNDZHJ-FRRDWIJNSA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@@H](C)C(N)=O ZINC001422135770 907725959 /nfs/dbraw/zinc/72/59/59/907725959.db2.gz NLVPYXFXVFFPFJ-RYUDHWBXSA-N 2 0 286.420 -0.069 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1(CO)CC[NH+](CCO)CC1 ZINC001422195986 907743924 /nfs/dbraw/zinc/74/39/24/907743924.db2.gz KKYWJCNSKTVVNK-ZDUSSCGKSA-N 2 0 299.415 -0.594 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001422262842 907763000 /nfs/dbraw/zinc/76/30/00/907763000.db2.gz CFUACFLCBORBRK-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001502371888 921352849 /nfs/dbraw/zinc/35/28/49/921352849.db2.gz ZQJDHIQLNGLYJB-GFCCVEGCSA-N 2 0 298.431 -0.018 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001422408460 907843863 /nfs/dbraw/zinc/84/38/63/907843863.db2.gz VFKCWPSEQZSUNC-CHWSQXEVSA-N 2 0 285.388 -0.815 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001422408470 907843888 /nfs/dbraw/zinc/84/38/88/907843888.db2.gz VFKCWPSEQZSUNC-QWHCGFSZSA-N 2 0 285.388 -0.815 20 0 CBADRP Cc1ncoc1C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC001422427295 907852016 /nfs/dbraw/zinc/85/20/16/907852016.db2.gz SHJGQCPVWNVZQM-GFCCVEGCSA-N 2 0 298.387 -0.110 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(=O)N(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001422458135 907867209 /nfs/dbraw/zinc/86/72/09/907867209.db2.gz JNIGZSDDYTYADP-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001422514473 907902711 /nfs/dbraw/zinc/90/27/11/907902711.db2.gz JUABXGDQHTUPSB-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)CCC[NH+](C)C ZINC001422550907 907918722 /nfs/dbraw/zinc/91/87/22/907918722.db2.gz MYNQRQFUTXEBAQ-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NC ZINC001422587695 907934865 /nfs/dbraw/zinc/93/48/65/907934865.db2.gz YHSLJESTCCNOCZ-MNOVXSKESA-N 2 0 272.393 -0.443 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C[NH+]1CCC(C)CC1 ZINC001422592746 907937910 /nfs/dbraw/zinc/93/79/10/907937910.db2.gz VXWRDGIAAKYQFI-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C)CC[N@@H+]1C ZINC001422650598 907965104 /nfs/dbraw/zinc/96/51/04/907965104.db2.gz QDYVIWHHBNMFJH-RWMBFGLXSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCCNC1=O)[NH+](C)C ZINC001422661786 907970158 /nfs/dbraw/zinc/97/01/58/907970158.db2.gz UXEJTPPDGXPVLF-SDDRHHMPSA-N 2 0 284.404 -0.301 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001422676850 907972102 /nfs/dbraw/zinc/97/21/02/907972102.db2.gz XLZLGKFVXVJOJN-TUAOUCFPSA-N 2 0 284.404 -0.445 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001422698268 907975438 /nfs/dbraw/zinc/97/54/38/907975438.db2.gz TYHLADQZMNRHED-WDEREUQCSA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@@H](C[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)CC[NH+](C)C ZINC001422697045 907977042 /nfs/dbraw/zinc/97/70/42/907977042.db2.gz QGTKVSXDOAMRNH-LBPRGKRZSA-N 2 0 294.399 -0.069 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001422741925 907987731 /nfs/dbraw/zinc/98/77/31/907987731.db2.gz CANXBJZZFCCKLC-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP COCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001502600557 921372245 /nfs/dbraw/zinc/37/22/45/921372245.db2.gz XJHZXCWGOGHEFB-DZGCQCFKSA-N 2 0 299.415 -0.472 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001502586774 921372267 /nfs/dbraw/zinc/37/22/67/921372267.db2.gz UBIVIRIAISWWHN-AWEZNQCLSA-N 2 0 287.404 -0.736 20 0 CBADRP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001422820189 908025045 /nfs/dbraw/zinc/02/50/45/908025045.db2.gz GMCGNOKTNGAFQI-ZDEQEGDKSA-N 2 0 296.415 -0.504 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC001422841835 908026057 /nfs/dbraw/zinc/02/60/57/908026057.db2.gz NEPOFFRVRIIUSH-LPWJVIDDSA-N 2 0 294.399 -0.893 20 0 CBADRP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001422827440 908026188 /nfs/dbraw/zinc/02/61/88/908026188.db2.gz IKOQFOMKNAXBAS-ZDEQEGDKSA-N 2 0 294.399 -0.750 20 0 CBADRP C[NH+](C)CCCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001422836016 908027247 /nfs/dbraw/zinc/02/72/47/908027247.db2.gz YFGWDYNXXHKFQE-CNDDSTCGSA-N 2 0 282.388 -0.893 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001422912801 908059267 /nfs/dbraw/zinc/05/92/67/908059267.db2.gz HEMJKXZXLXIWNV-SRVKXCTJSA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1)C(N)=O ZINC001422997174 908074049 /nfs/dbraw/zinc/07/40/49/908074049.db2.gz CFCGMPQCNJHOPO-ZYHUDNBSSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)C(N)=O ZINC001423171944 908126167 /nfs/dbraw/zinc/12/61/67/908126167.db2.gz VUXNLWCPBWNVQZ-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+]1CCCO ZINC001423182724 908137210 /nfs/dbraw/zinc/13/72/10/908137210.db2.gz TZFCLOCNSHBEBM-KGLIPLIRSA-N 2 0 299.415 -0.472 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1cccnc1 ZINC001423195777 908145840 /nfs/dbraw/zinc/14/58/40/908145840.db2.gz YEJLBEDWEOJKQC-KGLIPLIRSA-N 2 0 292.383 -0.258 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001423239006 908173719 /nfs/dbraw/zinc/17/37/19/908173719.db2.gz CMLMGTUDSHBGGY-NWDGAFQWSA-N 2 0 296.415 -0.027 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001502738475 921387192 /nfs/dbraw/zinc/38/71/92/921387192.db2.gz PALGFESRVLCHNK-YPMHNXCESA-N 2 0 296.415 -0.489 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001423279800 908187893 /nfs/dbraw/zinc/18/78/93/908187893.db2.gz LPGNASPZWPUXIC-NSHDSACASA-N 2 0 282.388 -0.687 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001423353590 908210421 /nfs/dbraw/zinc/21/04/21/908210421.db2.gz YXFOGLHPYSFYPY-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001423406485 908221025 /nfs/dbraw/zinc/22/10/25/908221025.db2.gz USQKHKRVHRVWRT-RYUDHWBXSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001423453120 908243870 /nfs/dbraw/zinc/24/38/70/908243870.db2.gz LZYQGFQPGZJNQT-RWMBFGLXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001423472724 908247420 /nfs/dbraw/zinc/24/74/20/908247420.db2.gz DFWYHOSGSUKBLC-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001423493616 908257458 /nfs/dbraw/zinc/25/74/58/908257458.db2.gz XFLKEVJIGCYYBI-UONOGXRCSA-N 2 0 299.415 -0.330 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC(C)([NH2+]CCO)CC1 ZINC001502795431 921395830 /nfs/dbraw/zinc/39/58/30/921395830.db2.gz LNTDCRPAAXYQIY-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP COC[C@H](O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001423694733 908302507 /nfs/dbraw/zinc/30/25/07/908302507.db2.gz YQGGACNNYUFQDI-NWINJMCUSA-N 2 0 299.415 -0.333 20 0 CBADRP C[C@@H]([NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001423697629 908303152 /nfs/dbraw/zinc/30/31/52/908303152.db2.gz WCBPKXJHJFDBIJ-KPPDAEKUSA-N 2 0 270.377 -0.609 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)C1CC([NH2+][C@H](C)C(N)=O)C1 ZINC001423696752 908303798 /nfs/dbraw/zinc/30/37/98/908303798.db2.gz QDILSAPVYLNREZ-VOMCLLRMSA-N 2 0 284.404 -0.221 20 0 CBADRP CCN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001423695076 908304520 /nfs/dbraw/zinc/30/45/20/908304520.db2.gz LVNHMKCDJWEEGS-UHFFFAOYSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)C1CC([NH2+][C@@H](C)C(N)=O)C1 ZINC001423696751 908305187 /nfs/dbraw/zinc/30/51/87/908305187.db2.gz QDILSAPVYLNREZ-UNXYVOJBSA-N 2 0 284.404 -0.221 20 0 CBADRP CC[C@@H](C(=O)N(C)C1CC([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001423681393 908306052 /nfs/dbraw/zinc/30/60/52/908306052.db2.gz GWWCBDMSLUXHTI-ILDUYXDCSA-N 2 0 270.377 -0.609 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001423795391 908334955 /nfs/dbraw/zinc/33/49/55/908334955.db2.gz ANLFOONSWUOAQC-AWEZNQCLSA-N 2 0 285.388 -0.982 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@@]2(CO)CCC[N@H+](CCO)C2)CC1 ZINC001424011085 908388418 /nfs/dbraw/zinc/38/84/18/908388418.db2.gz RASVAJSOBBQURH-HNNXBMFYSA-N 2 0 299.415 -0.736 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001424231325 908429789 /nfs/dbraw/zinc/42/97/89/908429789.db2.gz QUSCGVDIJXAUKR-RYUDHWBXSA-N 2 0 273.377 -0.864 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+][C@@H](C)C(N)=O ZINC001503429619 921410010 /nfs/dbraw/zinc/41/00/10/921410010.db2.gz ZTMASSFEJNKBBE-SRVKXCTJSA-N 2 0 284.404 -0.171 20 0 CBADRP CN(CCC[N@H+](C)CC(N)=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001424332272 908442881 /nfs/dbraw/zinc/44/28/81/908442881.db2.gz QSNDHONKBWTVDJ-NSHDSACASA-N 2 0 270.377 -0.796 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@](CO)([NH2+]CCO)C2)C1 ZINC001424408318 908454068 /nfs/dbraw/zinc/45/40/68/908454068.db2.gz IRGSZQSKGHOMLF-ZFWWWQNUSA-N 2 0 299.415 -0.736 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001424587576 908475717 /nfs/dbraw/zinc/47/57/17/908475717.db2.gz LVXHJNKDBCTWGF-HBNTYKKESA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001424615138 908478785 /nfs/dbraw/zinc/47/87/85/908478785.db2.gz HDTHTJLWARXTKV-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001424733233 908492558 /nfs/dbraw/zinc/49/25/58/908492558.db2.gz GRJFANAGNATLDK-WXRRBKDZSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]([NH2+]CC1CC(NC(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001424724581 908492630 /nfs/dbraw/zinc/49/26/30/908492630.db2.gz JHAQDBNXJHWMTD-UNXYVOJBSA-N 2 0 296.415 -0.171 20 0 CBADRP CCNC(=O)C[NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001424733949 908493323 /nfs/dbraw/zinc/49/33/23/908493323.db2.gz ZXSFJVYXZBMSDY-UHFFFAOYSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H](O)C[NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001424747908 908497138 /nfs/dbraw/zinc/49/71/38/908497138.db2.gz FFDIUEYCWZZSFN-PNESKVBLSA-N 2 0 281.400 -0.053 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@H]1CCNC1=O ZINC001425009433 908555233 /nfs/dbraw/zinc/55/52/33/908555233.db2.gz JZXCSWIPCZCALF-QWRGUYRKSA-N 2 0 270.377 -0.737 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@H]1CCNC1=O ZINC001425047823 908558273 /nfs/dbraw/zinc/55/82/73/908558273.db2.gz ACOJMNWXBGRPFB-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001425414024 908643249 /nfs/dbraw/zinc/64/32/49/908643249.db2.gz MKDJZLUNFQFCIJ-IJLUTSLNSA-N 2 0 282.388 -0.560 20 0 CBADRP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001425594001 908679815 /nfs/dbraw/zinc/67/98/15/908679815.db2.gz KIPCVMLJYOAXOA-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001425656574 908686760 /nfs/dbraw/zinc/68/67/60/908686760.db2.gz OJXZYBLKTANZQO-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H]([NH2+]CC1CC(NC(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001505515278 921433560 /nfs/dbraw/zinc/43/35/60/921433560.db2.gz QPQWBXUMVPEEIN-UNXYVOJBSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH+](C)CCC(=O)NC1CC(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001505516862 921433751 /nfs/dbraw/zinc/43/37/51/921433751.db2.gz NFRVQTYQILQLHL-HTAVTVPLSA-N 2 0 282.388 -0.689 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]CC[C@H]1CCCO1 ZINC001425834015 908758756 /nfs/dbraw/zinc/75/87/56/908758756.db2.gz GDRIQNVNEMDAPL-ZIAGYGMSSA-N 2 0 299.415 -0.282 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]CC[C@H]1CCCO1 ZINC001425834011 908759406 /nfs/dbraw/zinc/75/94/06/908759406.db2.gz GDRIQNVNEMDAPL-UONOGXRCSA-N 2 0 299.415 -0.282 20 0 CBADRP C[C@@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)C[NH+]1CCCC1 ZINC001425909328 908778905 /nfs/dbraw/zinc/77/89/05/908778905.db2.gz ZSSRLOFBIHLWPJ-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001425953462 908786456 /nfs/dbraw/zinc/78/64/56/908786456.db2.gz CFWDKOASCBNHOB-NWDGAFQWSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[NH2+]C[C@H](O)CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001426038818 908808935 /nfs/dbraw/zinc/80/89/35/908808935.db2.gz RNQUHIAPYOKOPL-ZDUSSCGKSA-N 2 0 297.403 -0.513 20 0 CBADRP C[C@H]([NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001426227512 908849287 /nfs/dbraw/zinc/84/92/87/908849287.db2.gz FNDNMWLZHHZXTB-UNXYVOJBSA-N 2 0 296.415 -0.219 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001427348677 908949747 /nfs/dbraw/zinc/94/97/47/908949747.db2.gz ZDNLNCDGERIJNE-UHFFFAOYSA-N 2 0 298.431 -0.049 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001505680098 921463039 /nfs/dbraw/zinc/46/30/39/921463039.db2.gz ZGLDRGMKPMENCY-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001505682588 921467356 /nfs/dbraw/zinc/46/73/56/921467356.db2.gz UIIPPLQSTUWXLE-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP CC(C)[NH+](C)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001428631283 909152120 /nfs/dbraw/zinc/15/21/20/909152120.db2.gz PPGFRXMVTQUECU-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001505753717 921474828 /nfs/dbraw/zinc/47/48/28/921474828.db2.gz ISBFAZACUYPIBL-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001429550408 909259379 /nfs/dbraw/zinc/25/93/79/909259379.db2.gz WNZSHZJCXBGQLL-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCN(C)C(=O)C[NH+]1CCCC1 ZINC001431297715 909445700 /nfs/dbraw/zinc/44/57/00/909445700.db2.gz DBSGEJKYWHFLDA-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)[C@H]1CCNC1=O ZINC001505936246 921506734 /nfs/dbraw/zinc/50/67/34/921506734.db2.gz XRMSBMFVGPAVHY-NEPJUHHUSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001433420955 909728041 /nfs/dbraw/zinc/72/80/41/909728041.db2.gz NNJLFLPEFKZTOU-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@H]1CCCN(C)C1=O ZINC001505992216 921519085 /nfs/dbraw/zinc/51/90/85/921519085.db2.gz AXTGTWRDUNJMDO-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)[C@H]1CCN(C)C1=O ZINC001505991394 921520748 /nfs/dbraw/zinc/52/07/48/921520748.db2.gz RRFBOZJAFMYPIP-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@H]1CCCN(C)C1=O ZINC001505992220 921520933 /nfs/dbraw/zinc/52/09/33/921520933.db2.gz AXTGTWRDUNJMDO-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP O=C(C[NH+]1CCC(CO)CC1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001434386440 910145315 /nfs/dbraw/zinc/14/53/15/910145315.db2.gz WWZGKHKPOPFZHO-CYBMUJFWSA-N 2 0 297.399 -0.720 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001436337836 910430386 /nfs/dbraw/zinc/43/03/86/910430386.db2.gz FKPASAPQMJGLIH-FRRDWIJNSA-N 2 0 296.415 -0.299 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001436746914 910476478 /nfs/dbraw/zinc/47/64/78/910476478.db2.gz NQOWIXFBHZRZDR-CHWSQXEVSA-N 2 0 285.388 -0.720 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001436827773 910493043 /nfs/dbraw/zinc/49/30/43/910493043.db2.gz NRIHXICEQFXFPU-GFCCVEGCSA-N 2 0 294.399 -0.687 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH+](C)CC(N)=O)C1 ZINC001436846236 910494168 /nfs/dbraw/zinc/49/41/68/910494168.db2.gz DFIITMITNUFGQF-CYBMUJFWSA-N 2 0 298.431 -0.018 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001436825277 910494472 /nfs/dbraw/zinc/49/44/72/910494472.db2.gz HHANCZUJKPUTQZ-AAEUAGOBSA-N 2 0 296.415 -0.441 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001436926274 910510056 /nfs/dbraw/zinc/51/00/56/910510056.db2.gz CKAALDMGQPGIOX-JHJVBQTASA-N 2 0 285.388 -0.674 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001436964673 910518040 /nfs/dbraw/zinc/51/80/40/910518040.db2.gz MWZSJSQDSKLBCT-UTUOFQBUSA-N 2 0 284.404 -0.301 20 0 CBADRP Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001436967937 910518386 /nfs/dbraw/zinc/51/83/86/910518386.db2.gz YJZZUVFDLYBCEG-PHIMTYICSA-N 2 0 280.376 -0.496 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001436968097 910518642 /nfs/dbraw/zinc/51/86/42/910518642.db2.gz ZIJLAPMBJRIUID-TXEJJXNPSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001436955227 910518932 /nfs/dbraw/zinc/51/89/32/910518932.db2.gz XUFRMNRRYGLEIE-XQQFMLRXSA-N 2 0 296.415 -0.158 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001436977416 910521597 /nfs/dbraw/zinc/52/15/97/910521597.db2.gz JWKNVBVJLZHRGK-RWMBFGLXSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@H]([NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001437143294 910566852 /nfs/dbraw/zinc/56/68/52/910566852.db2.gz FPLIFILXXRZFPI-MNOVXSKESA-N 2 0 284.404 -0.171 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001437199548 910583946 /nfs/dbraw/zinc/58/39/46/910583946.db2.gz CSBADRDNAXBOPL-WDEREUQCSA-N 2 0 270.377 -0.832 20 0 CBADRP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001437198388 910584189 /nfs/dbraw/zinc/58/41/89/910584189.db2.gz BNOXRYFTDUEKFX-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001437202946 910584303 /nfs/dbraw/zinc/58/43/03/910584303.db2.gz QWMMZRXJBMBNPE-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@H](C)C(N)=O ZINC001437213898 910586613 /nfs/dbraw/zinc/58/66/13/910586613.db2.gz JXSLNRHLTVHNSG-GHMZBOCLSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@@H]([NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C)C(N)=O ZINC001437264730 910602751 /nfs/dbraw/zinc/60/27/51/910602751.db2.gz XETFUZMQYBMMGO-GHMZBOCLSA-N 2 0 272.393 -0.315 20 0 CBADRP CC[C@H]([NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C)C(N)=O ZINC001437264732 910603471 /nfs/dbraw/zinc/60/34/71/910603471.db2.gz XETFUZMQYBMMGO-MNOVXSKESA-N 2 0 272.393 -0.315 20 0 CBADRP CC[C@@H]([NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C)C(N)=O ZINC001437264868 910603836 /nfs/dbraw/zinc/60/38/36/910603836.db2.gz XETFUZMQYBMMGO-WDEREUQCSA-N 2 0 272.393 -0.315 20 0 CBADRP C[NH+](CC(=O)N1CC[C@@H](C[N@@H+](C)CC(N)=O)C1)C1CCC1 ZINC001437976880 910783256 /nfs/dbraw/zinc/78/32/56/910783256.db2.gz NAMINDLSWDRIFB-LBPRGKRZSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001437991392 910791713 /nfs/dbraw/zinc/79/17/13/910791713.db2.gz MCDSFUTYAIZWPU-CHWSQXEVSA-N 2 0 298.431 -0.018 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001438214640 910849541 /nfs/dbraw/zinc/84/95/41/910849541.db2.gz AAJHKJZVKCYBKU-YNEHKIRRSA-N 2 0 285.388 -0.864 20 0 CBADRP CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H](C)C(N)=O ZINC001438345907 910881904 /nfs/dbraw/zinc/88/19/04/910881904.db2.gz MKARVVXXBKPTMG-WDEREUQCSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC(=O)NC ZINC001438349291 910882684 /nfs/dbraw/zinc/88/26/84/910882684.db2.gz SZQXHTLRSHJMSL-RWMBFGLXSA-N 2 0 298.431 -0.053 20 0 CBADRP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001438381255 910886541 /nfs/dbraw/zinc/88/65/41/910886541.db2.gz WPHQUYFRSNXGCL-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]CC(N)=O ZINC001438494030 910902844 /nfs/dbraw/zinc/90/28/44/910902844.db2.gz RBUZRIAWADGLBD-PWSUYJOCSA-N 2 0 282.388 -0.845 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1nnnn1C ZINC001438549541 910915566 /nfs/dbraw/zinc/91/55/66/910915566.db2.gz RMWXANZQEXKPQI-GHMZBOCLSA-N 2 0 295.391 -0.996 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001438545766 910918927 /nfs/dbraw/zinc/91/89/27/910918927.db2.gz QWGRXTZDOJMJDG-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001438805911 910971225 /nfs/dbraw/zinc/97/12/25/910971225.db2.gz CZZLZUMFCASXTD-LBPRGKRZSA-N 2 0 298.431 -0.195 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001438965315 911019735 /nfs/dbraw/zinc/01/97/35/911019735.db2.gz PDKISOCIKZJUCS-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H]([NH2+]CCO)[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001506837748 921626776 /nfs/dbraw/zinc/62/67/76/921626776.db2.gz TUMXEHAGUZNJOK-QWHCGFSZSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@H](CC[NH2+][C@H](C)c1nnnn1C)NC(=O)CC[NH+](C)C ZINC001439066564 911081363 /nfs/dbraw/zinc/08/13/63/911081363.db2.gz RWVLOHMZZCSFCY-GHMZBOCLSA-N 2 0 297.407 -0.293 20 0 CBADRP CCC[N@H+](C)CC(=O)N(CC)CC[NH2+][C@H]1CCN(C)C1=O ZINC001439081096 911086408 /nfs/dbraw/zinc/08/64/08/911086408.db2.gz FMIWFTZOGSYXES-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@H](CC[NH2+][C@H]1CCN(C)C1=O)NC(=O)C[NH+]1CCCC1 ZINC001439078283 911090136 /nfs/dbraw/zinc/09/01/36/911090136.db2.gz VGVUSYMPSRYKQU-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](C[NH2+]Cc1ccnn1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001439179253 911128528 /nfs/dbraw/zinc/12/85/28/911128528.db2.gz RQOFNCNVOKCALM-NEPJUHHUSA-N 2 0 279.388 -0.034 20 0 CBADRP CC[C@H]([NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1)C(N)=O ZINC001439179188 911129219 /nfs/dbraw/zinc/12/92/19/911129219.db2.gz JKHRPQGHLSNJAZ-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H](C[NH2+]Cc1ccnn1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439179255 911130213 /nfs/dbraw/zinc/13/02/13/911130213.db2.gz RQOFNCNVOKCALM-VXGBXAGGSA-N 2 0 279.388 -0.034 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001439195856 911135925 /nfs/dbraw/zinc/13/59/25/911135925.db2.gz LOTOSFVYLWQXHR-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001439239295 911155149 /nfs/dbraw/zinc/15/51/49/911155149.db2.gz LFGOXIFDINLAMO-QJPTWQEYSA-N 2 0 284.404 -0.443 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001439448621 911213022 /nfs/dbraw/zinc/21/30/22/911213022.db2.gz ZMBVPZOTMYSPRF-STQMWFEESA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001439494146 911224073 /nfs/dbraw/zinc/22/40/73/911224073.db2.gz LZAHOKYWORIGQV-LBPRGKRZSA-N 2 0 282.388 -0.687 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001439615619 911260409 /nfs/dbraw/zinc/26/04/09/911260409.db2.gz PQFUTGRIFYECLG-UHFFFAOYSA-N 2 0 282.388 -0.545 20 0 CBADRP CN(C)C(=O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001439666509 911269607 /nfs/dbraw/zinc/26/96/07/911269607.db2.gz GESSLIWPMCTWAM-UHFFFAOYSA-N 2 0 282.388 -0.591 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CC1)C(N)=O ZINC001439674436 911271325 /nfs/dbraw/zinc/27/13/25/911271325.db2.gz FMSOTJDWLWDTIF-LBPRGKRZSA-N 2 0 296.415 -0.025 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001439781976 911288841 /nfs/dbraw/zinc/28/88/41/911288841.db2.gz GKHKEWUHVPZINR-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[N@H+](CC(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001439889412 911305153 /nfs/dbraw/zinc/30/51/53/911305153.db2.gz LPCRNCXLXJPSMO-OAHLLOKOSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@]1(O)CC[NH+](CCOC)C1 ZINC001440024438 911349276 /nfs/dbraw/zinc/34/92/76/911349276.db2.gz RIXWZQOFNQDUOQ-CQSZACIVSA-N 2 0 287.404 -0.472 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001440318106 911427886 /nfs/dbraw/zinc/42/78/86/911427886.db2.gz FKPASAPQMJGLIH-AVGNSLFASA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001440680989 911489185 /nfs/dbraw/zinc/48/91/85/911489185.db2.gz NSDHNOSGHMMFMZ-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP COCC[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001440701425 911492082 /nfs/dbraw/zinc/49/20/82/911492082.db2.gz BVIJAQHCXBYJNK-CYBMUJFWSA-N 2 0 299.415 -0.472 20 0 CBADRP CCNC(=O)C[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001440759975 911503221 /nfs/dbraw/zinc/50/32/21/911503221.db2.gz IDPNMIOZWQZBSW-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@H]1CCN(C)C1=O ZINC001441003881 911581478 /nfs/dbraw/zinc/58/14/78/911581478.db2.gz SMZZXTDSIXUFJL-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP COC[C@H](O)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001441006585 911582634 /nfs/dbraw/zinc/58/26/34/911582634.db2.gz COIYKTVZJGQNLF-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@H](C(N)=O)[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001441134087 911612717 /nfs/dbraw/zinc/61/27/17/911612717.db2.gz HJHWSIYJRVOPMT-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001441158161 911618252 /nfs/dbraw/zinc/61/82/52/911618252.db2.gz UODHSEGTDLZNDS-GFCCVEGCSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@H+](CC(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1)CC(C)(C)C ZINC001441218628 911626836 /nfs/dbraw/zinc/62/68/36/911626836.db2.gz AGWGQSRXWHHIRP-GFCCVEGCSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCO ZINC001507110534 921678865 /nfs/dbraw/zinc/67/88/65/921678865.db2.gz NHNKGFGCXOYIQO-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001441348012 911649459 /nfs/dbraw/zinc/64/94/59/911649459.db2.gz IJIWHOQBSWGWOT-SRVKXCTJSA-N 2 0 282.388 -0.689 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001441381137 911656703 /nfs/dbraw/zinc/65/67/03/911656703.db2.gz AXDCRCSZNVAYQC-SRVKXCTJSA-N 2 0 282.388 -0.417 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001441381042 911657365 /nfs/dbraw/zinc/65/73/65/911657365.db2.gz AXDCRCSZNVAYQC-IJLUTSLNSA-N 2 0 282.388 -0.417 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001441419483 911665580 /nfs/dbraw/zinc/66/55/80/911665580.db2.gz MZZBMKRFVQHUAM-HAQNSBGRSA-N 2 0 280.376 -0.533 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C1 ZINC001441439947 911669971 /nfs/dbraw/zinc/66/99/71/911669971.db2.gz NHASUJAEDRYOHH-JHJVBQTASA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001441453668 911673324 /nfs/dbraw/zinc/67/33/24/911673324.db2.gz DKLIOBWOADPCSV-WYUUTHIRSA-N 2 0 282.388 -0.548 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001441490354 911684134 /nfs/dbraw/zinc/68/41/34/911684134.db2.gz WVYZAFLLNVFXLA-WISYIIOYSA-N 2 0 282.388 -0.691 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001441591602 911712981 /nfs/dbraw/zinc/71/29/81/911712981.db2.gz PKIMGGMRCFYMTQ-YNEHKIRRSA-N 2 0 287.404 -0.476 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@H]1CCNC1=O ZINC001441593285 911713189 /nfs/dbraw/zinc/71/31/89/911713189.db2.gz NFPNVBFFERSFLN-MNOVXSKESA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001441657978 911726496 /nfs/dbraw/zinc/72/64/96/911726496.db2.gz YOWBYRQADMFNJC-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H](CO)[NH2+]CCF ZINC001441714381 911763082 /nfs/dbraw/zinc/76/30/82/911763082.db2.gz IHKJRXRILRSQGZ-VXGBXAGGSA-N 2 0 275.368 -0.103 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H](CO)[NH2+]CCF ZINC001441714360 911763495 /nfs/dbraw/zinc/76/34/95/911763495.db2.gz IHKJRXRILRSQGZ-NEPJUHHUSA-N 2 0 275.368 -0.103 20 0 CBADRP Cc1ncccc1C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C ZINC001441741721 911774985 /nfs/dbraw/zinc/77/49/85/911774985.db2.gz DCWJPRGTCSBXPU-AWEZNQCLSA-N 2 0 294.399 -0.092 20 0 CBADRP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCO ZINC001507154453 921691215 /nfs/dbraw/zinc/69/12/15/921691215.db2.gz NUDGEGIVWSRWEJ-NEPJUHHUSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCN1CCCC1=O ZINC001441783756 911802410 /nfs/dbraw/zinc/80/24/10/911802410.db2.gz HMNIGZPGVMYTMF-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP COC[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001441788064 911802887 /nfs/dbraw/zinc/80/28/87/911802887.db2.gz GUYGEULODSGKDP-VXGBXAGGSA-N 2 0 273.377 -0.816 20 0 CBADRP COC[C@H](C)[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001441788057 911804183 /nfs/dbraw/zinc/80/41/83/911804183.db2.gz GUYGEULODSGKDP-RYUDHWBXSA-N 2 0 273.377 -0.816 20 0 CBADRP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H]1CCNC1=O ZINC001507150550 921692760 /nfs/dbraw/zinc/69/27/60/921692760.db2.gz YOSSUSHKZQMFKZ-NWDGAFQWSA-N 2 0 294.399 -0.593 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001441829403 911827402 /nfs/dbraw/zinc/82/74/02/911827402.db2.gz GBFGTGSUHDJRCA-WDEREUQCSA-N 2 0 270.377 -0.609 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001441936966 911859765 /nfs/dbraw/zinc/85/97/65/911859765.db2.gz QLNLDLHSQIYBCY-NEPJUHHUSA-N 2 0 296.415 -0.489 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001441943625 911862773 /nfs/dbraw/zinc/86/27/73/911862773.db2.gz WWGVFJGDHMYMJL-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H]1CCN(C)C1=O ZINC001442005620 911890654 /nfs/dbraw/zinc/89/06/54/911890654.db2.gz GCPTZHXFWLGBRO-VXGBXAGGSA-N 2 0 294.399 -0.593 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001442103499 911925436 /nfs/dbraw/zinc/92/54/36/911925436.db2.gz JBSVXMGLDOJJEM-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001442089674 911930753 /nfs/dbraw/zinc/93/07/53/911930753.db2.gz VRHAYHGZRYGPRV-CHWSQXEVSA-N 2 0 287.404 -0.522 20 0 CBADRP CC[C@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C)[NH+](C)C ZINC001442158946 911943605 /nfs/dbraw/zinc/94/36/05/911943605.db2.gz YGHZBYRLJCMNQQ-GHMZBOCLSA-N 2 0 286.420 -0.068 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001442335804 911973734 /nfs/dbraw/zinc/97/37/34/911973734.db2.gz DUPYTGDCDPBSNA-NWDGAFQWSA-N 2 0 294.403 -0.249 20 0 CBADRP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC001442923523 912127957 /nfs/dbraw/zinc/12/79/57/912127957.db2.gz VCSUAMPYYNUFOK-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001443073405 912147178 /nfs/dbraw/zinc/14/71/78/912147178.db2.gz DHUXPOMKYBDXEG-QJPTWQEYSA-N 2 0 284.404 -0.491 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+][C@H]2CCNC2=O)CC[N@@H+]1C ZINC001443079347 912149232 /nfs/dbraw/zinc/14/92/32/912149232.db2.gz PJGGVMPBWBDNQJ-UTUOFQBUSA-N 2 0 282.388 -0.737 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)N(C)C ZINC001443087993 912153008 /nfs/dbraw/zinc/15/30/08/912153008.db2.gz RHTYUXHCMGUGJZ-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001443090026 912153444 /nfs/dbraw/zinc/15/34/44/912153444.db2.gz IOIPROSBISUOCF-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001443099390 912155235 /nfs/dbraw/zinc/15/52/35/912155235.db2.gz JDXDIGOVKFOJTA-MNOVXSKESA-N 2 0 270.377 -0.737 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001443107761 912156047 /nfs/dbraw/zinc/15/60/47/912156047.db2.gz ZDXOAQGYNJWXBU-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001443107770 912157498 /nfs/dbraw/zinc/15/74/98/912157498.db2.gz ZDXOAQGYNJWXBU-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001443107795 912157742 /nfs/dbraw/zinc/15/77/42/912157742.db2.gz ZDXOAQGYNJWXBU-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001443099114 912158625 /nfs/dbraw/zinc/15/86/25/912158625.db2.gz KPMMNLJPYSASNN-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001443108414 912161372 /nfs/dbraw/zinc/16/13/72/912161372.db2.gz ZNWWXDUIVHMWSU-NSHDSACASA-N 2 0 280.372 -0.981 20 0 CBADRP CCC[NH2+]CCNC(=O)CCNC(=O)[C@H]([NH3+])C(C)C ZINC001521507287 922359492 /nfs/dbraw/zinc/35/94/92/922359492.db2.gz GJWPUOONPKBIGQ-GFCCVEGCSA-N 2 0 272.393 -0.408 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@@H](C)C(N)=O)C1 ZINC001443348634 912186767 /nfs/dbraw/zinc/18/67/67/912186767.db2.gz YXCLBIMAOLDDDS-STQMWFEESA-N 2 0 298.431 -0.019 20 0 CBADRP CCN1CC[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001464653027 914997984 /nfs/dbraw/zinc/99/79/84/914997984.db2.gz JOYFUGDVGYIFDM-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@H+](CC(=O)NCC[NH+]1CC[C@H](O)C1)[C@@H]1CCC[C@H]1O ZINC001470844549 915532229 /nfs/dbraw/zinc/53/22/29/915532229.db2.gz KBBMGYNCZPZVPC-YNEHKIRRSA-N 2 0 285.388 -0.986 20 0 CBADRP CC1CC[NH+](CC(=O)NC[C@@H](CO)[NH2+]CCCO)CC1 ZINC001507248546 921781026 /nfs/dbraw/zinc/78/10/26/921781026.db2.gz JMBMGWQGZBMWJP-ZDUSSCGKSA-N 2 0 287.404 -0.833 20 0 CBADRP CC(C)[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001507252920 921782868 /nfs/dbraw/zinc/78/28/68/921782868.db2.gz MMJLELCWFAHLPA-LLVKDONJSA-N 2 0 255.362 -0.443 20 0 CBADRP C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC001472626945 915755047 /nfs/dbraw/zinc/75/50/47/915755047.db2.gz OGZJDKKTZCLYJJ-UONOGXRCSA-N 2 0 280.416 -0.023 20 0 CBADRP CC(C)[N@H+](C)C[C@H](O)CN1C[C@H](CO)[C@H](CCO)C1 ZINC001473891580 915881533 /nfs/dbraw/zinc/88/15/33/915881533.db2.gz BJPQZVOJLACARD-MCIONIFRSA-N 2 0 274.405 -0.390 20 0 CBADRP CC(C)[C@@H](C(=O)NCCC[N@H+](C)CC(N)=O)[NH+](C)C ZINC001479777086 916173218 /nfs/dbraw/zinc/17/32/18/916173218.db2.gz BXLUEBMRJYNFHV-LBPRGKRZSA-N 2 0 272.393 -0.504 20 0 CBADRP CN1CC[C@H]([N@H+](C)CCCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001479812702 916188091 /nfs/dbraw/zinc/18/80/91/916188091.db2.gz RAXUMERDAWGNOO-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)CC(=O)NC ZINC001479861326 916197594 /nfs/dbraw/zinc/19/75/94/916197594.db2.gz NMQFXHQNGAWNIQ-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCCO)C1CC1 ZINC001480038538 916268731 /nfs/dbraw/zinc/26/87/31/916268731.db2.gz KHQWUBTUXNDZIQ-CHWSQXEVSA-N 2 0 269.389 -0.053 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH+](C)CC(N)=O)C1 ZINC001480084389 916283441 /nfs/dbraw/zinc/28/34/41/916283441.db2.gz IEJVDQRYSOSPAR-ZDUSSCGKSA-N 2 0 298.431 -0.016 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001480154847 916312414 /nfs/dbraw/zinc/31/24/14/916312414.db2.gz ZXEQATOAWVVVJQ-IJLUTSLNSA-N 2 0 269.389 -0.054 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001480155892 916314591 /nfs/dbraw/zinc/31/45/91/916314591.db2.gz GVFIXEJRXAADOY-JOCQHMNTSA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001480168576 916318718 /nfs/dbraw/zinc/31/87/18/916318718.db2.gz PKDYKVDESIGULL-SRVKXCTJSA-N 2 0 284.404 -0.171 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001480231906 916336843 /nfs/dbraw/zinc/33/68/43/916336843.db2.gz HVOAEFLORZBVFS-QNWHQSFQSA-N 2 0 296.415 -0.301 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001480233205 916338223 /nfs/dbraw/zinc/33/82/23/916338223.db2.gz WUWVIPWVCVUJPD-AOOOYVTPSA-N 2 0 256.350 -0.950 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001480294134 916354433 /nfs/dbraw/zinc/35/44/33/916354433.db2.gz FFMJMJUFWXQDAG-LBPRGKRZSA-N 2 0 296.415 -0.358 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001480460870 916422248 /nfs/dbraw/zinc/42/22/48/916422248.db2.gz XZMPSCDYSZHWGN-QWRGUYRKSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)[NH2+]C[C@H](C)O ZINC001480554293 916468865 /nfs/dbraw/zinc/46/88/65/916468865.db2.gz YGKTXQNGLRXYMW-NEPJUHHUSA-N 2 0 297.403 -0.467 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001480566091 916477819 /nfs/dbraw/zinc/47/78/19/916477819.db2.gz QZCHGIZMSXPLHI-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CC(N)=O)[NH+](C)C ZINC001480574630 916478910 /nfs/dbraw/zinc/47/89/10/916478910.db2.gz GSXZLUPXBZAMIZ-ONGXEEELSA-N 2 0 258.366 -0.848 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCO)C1)[NH+](C)C ZINC001480616582 916495570 /nfs/dbraw/zinc/49/55/70/916495570.db2.gz VRUDFASRFSJKBH-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001480621966 916501402 /nfs/dbraw/zinc/50/14/02/916501402.db2.gz IRVDIJAPPVEBTI-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP CN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001480659802 916513102 /nfs/dbraw/zinc/51/31/02/916513102.db2.gz VMLCKXVRYDZWPI-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CCO)C1 ZINC001480700163 916521812 /nfs/dbraw/zinc/52/18/12/916521812.db2.gz DTDGBZGNAKIEEF-NWDGAFQWSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@H](C)c1nnnn1C ZINC001480789491 916540180 /nfs/dbraw/zinc/54/01/80/916540180.db2.gz GMGPHSAMGZMMTD-GHMZBOCLSA-N 2 0 297.407 -0.293 20 0 CBADRP C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(N)=O ZINC001480791071 916541746 /nfs/dbraw/zinc/54/17/46/916541746.db2.gz TVFRGWKOCGXXMM-JTQLQIEISA-N 2 0 270.377 -0.702 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001480808609 916546846 /nfs/dbraw/zinc/54/68/46/916546846.db2.gz NSDHNOSGHMMFMZ-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+](C)C[C@H](C)O ZINC001480947126 916650926 /nfs/dbraw/zinc/65/09/26/916650926.db2.gz JAOFBAABZQODDD-OLZOCXBDSA-N 2 0 287.404 -0.617 20 0 CBADRP CC[N@H+](CCNC(=O)CCC[NH+](C)C)[C@@H]1CCN(C)C1=O ZINC001480995639 916675325 /nfs/dbraw/zinc/67/53/25/916675325.db2.gz AECXLDBKUAVDKX-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1CCNC1=O ZINC001481000324 916678657 /nfs/dbraw/zinc/67/86/57/916678657.db2.gz VMDPWCPXYMIQPN-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H]1CCCNC1=O ZINC001481056546 916696603 /nfs/dbraw/zinc/69/66/03/916696603.db2.gz QYKLISBMYRJWQY-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCOCCO ZINC001481054338 916699756 /nfs/dbraw/zinc/69/97/56/916699756.db2.gz YTGIKGRDGIKJHL-UONOGXRCSA-N 2 0 299.415 -0.330 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001481239767 916779731 /nfs/dbraw/zinc/77/97/31/916779731.db2.gz YFKQLGYNSDOJRY-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+][C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001481246686 916783851 /nfs/dbraw/zinc/78/38/51/916783851.db2.gz XLPCKPPUAHQWAD-WDEREUQCSA-N 2 0 298.387 -0.820 20 0 CBADRP COCCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001481700013 916957007 /nfs/dbraw/zinc/95/70/07/916957007.db2.gz ZQLIKDIRYMZESS-ZIAGYGMSSA-N 2 0 299.415 -0.066 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C2)CC1 ZINC001481705239 916960112 /nfs/dbraw/zinc/96/01/12/916960112.db2.gz LMGNXWAIFKSKSR-CQSZACIVSA-N 2 0 299.415 -0.472 20 0 CBADRP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001481873588 917011451 /nfs/dbraw/zinc/01/14/51/917011451.db2.gz BFHQWJSQCYIVSS-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]CC(N)=O)CC1 ZINC001481996869 917029411 /nfs/dbraw/zinc/02/94/11/917029411.db2.gz OAOOGOAXWMOPFU-CYBMUJFWSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CCO ZINC001482101063 917053361 /nfs/dbraw/zinc/05/33/61/917053361.db2.gz ALWHSDJXKCDEOO-IJLUTSLNSA-N 2 0 257.378 -0.339 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001482113780 917059914 /nfs/dbraw/zinc/05/99/14/917059914.db2.gz SFTSOUMJDLKNPP-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]CC(=O)N(C)C ZINC001482138988 917063218 /nfs/dbraw/zinc/06/32/18/917063218.db2.gz ZHCWLYNVMKPYLN-GFCCVEGCSA-N 2 0 298.431 -0.242 20 0 CBADRP CCN1CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)C1=O ZINC001482325835 917125843 /nfs/dbraw/zinc/12/58/43/917125843.db2.gz MSFMMJMECCRULY-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001482355586 917134430 /nfs/dbraw/zinc/13/44/30/917134430.db2.gz ZTJWLWZPONIEME-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482381598 917140903 /nfs/dbraw/zinc/14/09/03/917140903.db2.gz XYTBWPUSEIVCGV-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001482495835 917151979 /nfs/dbraw/zinc/15/19/79/917151979.db2.gz STZFTGSFJDQYBL-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP O=C(NC[C@@H](O)C[NH2+]CC1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001482728564 917234403 /nfs/dbraw/zinc/23/44/03/917234403.db2.gz HJQGXRKQDPBMFU-UONOGXRCSA-N 2 0 281.400 -0.195 20 0 CBADRP Cc1nccnc1C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C ZINC001482764541 917265354 /nfs/dbraw/zinc/26/53/54/917265354.db2.gz TXXIRWUHAVNROM-LBPRGKRZSA-N 2 0 295.387 -0.697 20 0 CBADRP C[C@H](F)CC[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001482793443 917286184 /nfs/dbraw/zinc/28/61/84/917286184.db2.gz PGSKMRJCMMDNTP-RYUDHWBXSA-N 2 0 275.368 -0.103 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCCO ZINC001482800644 917290815 /nfs/dbraw/zinc/29/08/15/917290815.db2.gz XDGWXTOLPICOBQ-OLZOCXBDSA-N 2 0 287.404 -0.690 20 0 CBADRP C[C@@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001482840643 917309786 /nfs/dbraw/zinc/30/97/86/917309786.db2.gz YCOUDFUPFQXOJX-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](CC[NH2+]CC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001482868379 917317471 /nfs/dbraw/zinc/31/74/71/917317471.db2.gz SUEQJPXKTAVISG-SNVBAGLBSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H](CC[NH2+]C[C@H](C)O)NC(=O)C12CC[NH+](CC1)C2 ZINC001482890654 917325000 /nfs/dbraw/zinc/32/50/00/917325000.db2.gz ITMIECZKDMGCJO-NEPJUHHUSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@H](CC[NH2+]CC(=O)N(C)C)NC(=O)C[NH+]1CCCC1 ZINC001482899154 917326097 /nfs/dbraw/zinc/32/60/97/917326097.db2.gz LZRKCBBCBIAAAO-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC(N)=O ZINC001482901024 917328162 /nfs/dbraw/zinc/32/81/62/917328162.db2.gz IKIJTILJHAKHSS-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP CCN(CC[NH2+]CC(=O)N1CCC1)C(=O)C[N@H+](C)C(C)C ZINC001482970164 917350428 /nfs/dbraw/zinc/35/04/28/917350428.db2.gz ORMGBFBZNNUYHZ-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001483009894 917375831 /nfs/dbraw/zinc/37/58/31/917375831.db2.gz IHCITGPGLFJDLJ-AAOUONPWSA-N 2 0 282.388 -0.394 20 0 CBADRP CN(C)C(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483046790 917385913 /nfs/dbraw/zinc/38/59/13/917385913.db2.gz IFOZOHDMWUDZIT-SZZPACECSA-N 2 0 296.415 -0.179 20 0 CBADRP CN(C)C(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483046788 917388192 /nfs/dbraw/zinc/38/81/92/917388192.db2.gz IFOZOHDMWUDZIT-GFUIURDCSA-N 2 0 296.415 -0.179 20 0 CBADRP C[C@H]([NH2+]C/C=C\CNC(=O)CC[NH+](C)C)C(N)=O ZINC001483054195 917393278 /nfs/dbraw/zinc/39/32/78/917393278.db2.gz KPZYOINKVAJDKX-LWTINBJPSA-N 2 0 256.350 -0.926 20 0 CBADRP CC[C@H]([NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001483093631 917404508 /nfs/dbraw/zinc/40/45/08/917404508.db2.gz SARSTZHDWBVARC-MVZIDQBPSA-N 2 0 282.388 -0.392 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483156912 917439209 /nfs/dbraw/zinc/43/92/09/917439209.db2.gz UQFAVUQURTZTBW-GHMZBOCLSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001483162477 917445466 /nfs/dbraw/zinc/44/54/66/917445466.db2.gz FVHKZRULMZYGRS-NXEZZACHSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@H](C[NH2+]CCn1cncn1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483166372 917448261 /nfs/dbraw/zinc/44/82/61/917448261.db2.gz GUIHWJUTEDBHDP-QWHCGFSZSA-N 2 0 294.403 -0.286 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483255902 917496205 /nfs/dbraw/zinc/49/62/05/917496205.db2.gz PPARWTBHMJUGTJ-QJPTWQEYSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483261052 917499749 /nfs/dbraw/zinc/49/97/49/917499749.db2.gz SHUCXVDYJVMQCD-NWDGAFQWSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001483279823 917503566 /nfs/dbraw/zinc/50/35/66/917503566.db2.gz PMHRPDCCAKSMIJ-NWDGAFQWSA-N 2 0 287.404 -0.428 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483284768 917504560 /nfs/dbraw/zinc/50/45/60/917504560.db2.gz SRVVVTMGGCANAD-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H](C[N@H+](C)CCO)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001483421005 917555420 /nfs/dbraw/zinc/55/54/20/917555420.db2.gz ORXIWZWMZLVNLB-STQMWFEESA-N 2 0 287.404 -0.617 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001483442827 917561283 /nfs/dbraw/zinc/56/12/83/917561283.db2.gz PQRIZLKLANGOPP-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2CCCO)C1 ZINC001483683388 917635684 /nfs/dbraw/zinc/63/56/84/917635684.db2.gz ZJETXOSBMYAHCO-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H](O)C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001483762906 917673209 /nfs/dbraw/zinc/67/32/09/917673209.db2.gz PEMJSEXEYBDZGM-NSHDSACASA-N 2 0 269.389 -0.053 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001483784416 917681435 /nfs/dbraw/zinc/68/14/35/917681435.db2.gz SQBJLIBYGLOPEW-UHFFFAOYSA-N 2 0 280.372 -0.933 20 0 CBADRP CCN(C)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001483790242 917681542 /nfs/dbraw/zinc/68/15/42/917681542.db2.gz CVAMHDZASKCMHL-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]2C[NH2+]CCO)C1 ZINC001483951656 917712157 /nfs/dbraw/zinc/71/21/57/917712157.db2.gz CHHPYYLEWDNDQS-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001484166810 917744220 /nfs/dbraw/zinc/74/42/20/917744220.db2.gz LVZUIVNMJHZELD-OAHLLOKOSA-N 2 0 298.431 -0.098 20 0 CBADRP COCC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001484235515 917779700 /nfs/dbraw/zinc/77/97/00/917779700.db2.gz JSGCGLLHLHHLLU-DZGCQCFKSA-N 2 0 299.415 -0.472 20 0 CBADRP CC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001484250195 917793153 /nfs/dbraw/zinc/79/31/53/917793153.db2.gz DBBNOZFRQGVXBT-CYBMUJFWSA-N 2 0 255.362 -0.345 20 0 CBADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001484368141 917836510 /nfs/dbraw/zinc/83/65/10/917836510.db2.gz BUMLWMAWSPQTNM-NEPJUHHUSA-N 2 0 296.415 -0.360 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484535603 917883806 /nfs/dbraw/zinc/88/38/06/917883806.db2.gz IOGITCKQTWYCPP-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001484580514 917886912 /nfs/dbraw/zinc/88/69/12/917886912.db2.gz JCOGWUGHDXJOEH-GFCCVEGCSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[C@@H](C(=O)NCC1([NH2+]CCO)CCC1)[NH+](C)C ZINC001484660550 917908084 /nfs/dbraw/zinc/90/80/84/917908084.db2.gz JIPJERZCFIGHSE-NSHDSACASA-N 2 0 257.378 -0.053 20 0 CBADRP COCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001484671487 917914591 /nfs/dbraw/zinc/91/45/91/917914591.db2.gz PEAFYFWCAUEFAA-OLZOCXBDSA-N 2 0 285.388 -0.456 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001485223709 918031789 /nfs/dbraw/zinc/03/17/89/918031789.db2.gz ANHYIMWJVHHUDO-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1C[NH+](CCO)C1 ZINC001485531762 918140081 /nfs/dbraw/zinc/14/00/81/918140081.db2.gz BMRAWAFFISUXBB-NWDGAFQWSA-N 2 0 269.389 -0.243 20 0 CBADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001485832415 918199560 /nfs/dbraw/zinc/19/95/60/918199560.db2.gz NIKQXMXQLXDSHI-GFCCVEGCSA-N 2 0 294.399 -0.606 20 0 CBADRP C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]CC(=O)N1CCC1 ZINC001485916123 918227705 /nfs/dbraw/zinc/22/77/05/918227705.db2.gz KLEHNJGZRHFKLD-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@H](C)C(=O)N(C)C ZINC001485920040 918230340 /nfs/dbraw/zinc/23/03/40/918230340.db2.gz PZURDKXJIAEBCW-VXGBXAGGSA-N 2 0 286.420 -0.149 20 0 CBADRP C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+][C@@H](C)C(N)=O ZINC001485921029 918232570 /nfs/dbraw/zinc/23/25/70/918232570.db2.gz XUCFVHDMXLAJNE-MNOVXSKESA-N 2 0 284.404 -0.362 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001485947071 918238422 /nfs/dbraw/zinc/23/84/22/918238422.db2.gz LRTZCDMBLQQEKR-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CCn1cncn1 ZINC001485955656 918239862 /nfs/dbraw/zinc/23/98/62/918239862.db2.gz OPECBRHDFDKNNI-ZDUSSCGKSA-N 2 0 294.403 -0.190 20 0 CBADRP CC(C)OCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485983714 918274177 /nfs/dbraw/zinc/27/41/77/918274177.db2.gz VJFSLFONHKYLGU-STQMWFEESA-N 2 0 287.404 -0.428 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC ZINC001486002013 918295992 /nfs/dbraw/zinc/29/59/92/918295992.db2.gz LMJGQRNOHFBCFI-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC1CC1 ZINC001486024667 918319927 /nfs/dbraw/zinc/31/99/27/918319927.db2.gz SOOHPUPTRMYPAG-NWDGAFQWSA-N 2 0 255.362 -0.443 20 0 CBADRP C[N@H+](CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001486203613 918380688 /nfs/dbraw/zinc/38/06/88/918380688.db2.gz ZVYKPWOEWSIDGA-NWDGAFQWSA-N 2 0 296.415 -0.170 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001486220094 918385714 /nfs/dbraw/zinc/38/57/14/918385714.db2.gz XNQVLNPJGSACRK-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP COCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001486297466 918414969 /nfs/dbraw/zinc/41/49/69/918414969.db2.gz SVIOPBDAUVWJPN-VXGBXAGGSA-N 2 0 273.377 -0.864 20 0 CBADRP Cc1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C)on1 ZINC001486297888 918415198 /nfs/dbraw/zinc/41/51/98/918415198.db2.gz IYHJJHPNSJGYBM-GFCCVEGCSA-N 2 0 298.387 -0.156 20 0 CBADRP CC[NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001486298081 918415381 /nfs/dbraw/zinc/41/53/81/918415381.db2.gz KJCQQKIALXXJSP-LBPRGKRZSA-N 2 0 257.378 -0.243 20 0 CBADRP CCOCC[NH2+]C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001486311926 918422322 /nfs/dbraw/zinc/42/23/22/918422322.db2.gz QLALOXCNWBRCKA-CYBMUJFWSA-N 2 0 299.415 -0.472 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001486329220 918438209 /nfs/dbraw/zinc/43/82/09/918438209.db2.gz VRHAYHGZRYGPRV-OLZOCXBDSA-N 2 0 287.404 -0.522 20 0 CBADRP C[C@H](C(N)=O)N1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651639 918743889 /nfs/dbraw/zinc/74/38/89/918743889.db2.gz ARVATMCFFXAGQW-GHMZBOCLSA-N 2 0 270.377 -0.655 20 0 CBADRP CN1CC[C@H]([NH2+][C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001488850803 918774795 /nfs/dbraw/zinc/77/47/95/918774795.db2.gz GIZSMCYKOCSOBQ-AVGNSLFASA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CC(=O)NC)CC[N@@H+]1C ZINC001490196734 918861524 /nfs/dbraw/zinc/86/15/24/918861524.db2.gz QMCJXCYNODYXJD-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[N@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001490244839 918875132 /nfs/dbraw/zinc/87/51/32/918875132.db2.gz XVJJBADOMUIAOI-CYBMUJFWSA-N 2 0 286.420 -0.243 20 0 CBADRP C[C@H](C(=O)N(C)C)[N@H+](C)CCCNC(=O)CC[NH+](C)C ZINC001490245179 918879712 /nfs/dbraw/zinc/87/97/12/918879712.db2.gz LVMGBQXLAYQFOT-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001490279528 918882441 /nfs/dbraw/zinc/88/24/41/918882441.db2.gz IRXCDVLDSJAPRN-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001490271766 918882843 /nfs/dbraw/zinc/88/28/43/918882843.db2.gz OGKVYXBVQLNHAO-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)N(C)C ZINC001490318899 918892423 /nfs/dbraw/zinc/89/24/23/918892423.db2.gz STSHNXPQIJTZIW-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CCNC(=O)C[N@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001490356617 918897391 /nfs/dbraw/zinc/89/73/91/918897391.db2.gz JDOIFESRYQLOME-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@H](O)C[NH+]1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001490500302 918922082 /nfs/dbraw/zinc/92/20/82/918922082.db2.gz CGEPIZOZMVOEOR-ZDUSSCGKSA-N 2 0 286.420 -0.947 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCOCCO)C2)C1 ZINC001490576698 918941748 /nfs/dbraw/zinc/94/17/48/918941748.db2.gz BJKTUWJAQRQBCS-OLZOCXBDSA-N 2 0 285.388 -0.863 20 0 CBADRP NC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001490663996 918956143 /nfs/dbraw/zinc/95/61/43/918956143.db2.gz BVXYPHIUFHUOQO-OLZOCXBDSA-N 2 0 294.399 -0.702 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001490739703 918968405 /nfs/dbraw/zinc/96/84/05/918968405.db2.gz KLHPCABRPOOSHQ-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001490840370 918975241 /nfs/dbraw/zinc/97/52/41/918975241.db2.gz WZXVLKRSDKBJOM-RYUDHWBXSA-N 2 0 269.389 -0.101 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001490841480 918976342 /nfs/dbraw/zinc/97/63/42/918976342.db2.gz NOONMRGJOBOFRY-FRRDWIJNSA-N 2 0 298.431 -0.102 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](C)O)C1)[NH+](C)C ZINC001491029572 919011382 /nfs/dbraw/zinc/01/13/82/919011382.db2.gz DYVYKCBBMHGOIK-NNYUYHANSA-N 2 0 257.378 -0.056 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1)C(=O)N(C)C ZINC001491079696 919026145 /nfs/dbraw/zinc/02/61/45/919026145.db2.gz NKGGZSAWPCGQGL-RWMBFGLXSA-N 2 0 296.415 -0.204 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC001491130990 919047753 /nfs/dbraw/zinc/04/77/53/919047753.db2.gz SMDMYHRXHAYOFW-CYBMUJFWSA-N 2 0 269.389 -0.097 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001491502888 919185124 /nfs/dbraw/zinc/18/51/24/919185124.db2.gz CDJHTKOSOSIVEL-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCNC(=O)[C@H]1CCC[NH+]1C ZINC001491502454 919185697 /nfs/dbraw/zinc/18/56/97/919185697.db2.gz VUJCDVNWTPWYBJ-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001491565773 919206710 /nfs/dbraw/zinc/20/67/10/919206710.db2.gz QBMSCJVUZOJGIA-VHSXEESVSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)NC1CC1 ZINC001491569873 919210276 /nfs/dbraw/zinc/21/02/76/919210276.db2.gz VITLTEICDVDINR-NSHDSACASA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)NC1CC1 ZINC001491569872 919211603 /nfs/dbraw/zinc/21/16/03/919211603.db2.gz VITLTEICDVDINR-LLVKDONJSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cncn1C ZINC001491674242 919250225 /nfs/dbraw/zinc/25/02/25/919250225.db2.gz SXJCKFGGEMWUNS-VXGBXAGGSA-N 2 0 279.388 -0.034 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001491672256 919251451 /nfs/dbraw/zinc/25/14/51/919251451.db2.gz GBMWBZPRAPKVQT-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N1CCCC1 ZINC001491673409 919253085 /nfs/dbraw/zinc/25/30/85/919253085.db2.gz IEGNPVPUIMKASQ-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001492128460 919326715 /nfs/dbraw/zinc/32/67/15/919326715.db2.gz UNAIBTULTCKZKB-RYUDHWBXSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001492128412 919327754 /nfs/dbraw/zinc/32/77/54/919327754.db2.gz SSGALYXSDVCAHA-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP CN1CCO[C@H](C(=O)NCC[N@H+](C)C[C@H]2CCCOC2)C1 ZINC001492220157 919360740 /nfs/dbraw/zinc/36/07/40/919360740.db2.gz DNMQWMAYDZGJGN-KGLIPLIRSA-N 2 0 299.415 -0.208 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)CCCO)C1 ZINC001492420995 919415035 /nfs/dbraw/zinc/41/50/35/919415035.db2.gz FUCWXBIKXRXSNF-LBPRGKRZSA-N 2 0 257.378 -0.241 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001493059065 919473846 /nfs/dbraw/zinc/47/38/46/919473846.db2.gz VEAFKGPVFIGGBQ-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493235099 919507234 /nfs/dbraw/zinc/50/72/34/919507234.db2.gz VDJUWDKZBMXNJO-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CCO)C1 ZINC001493267539 919512168 /nfs/dbraw/zinc/51/21/68/919512168.db2.gz RGFCQUKPHCEBTO-GFCCVEGCSA-N 2 0 257.378 -0.243 20 0 CBADRP CN(CC[NH2+]CC(=O)N1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001493500486 919562613 /nfs/dbraw/zinc/56/26/13/919562613.db2.gz OMNMMQOLSKIGBD-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@@H](O)C[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001493575081 919583215 /nfs/dbraw/zinc/58/32/15/919583215.db2.gz RZAVBOYGKWDOSH-LLVKDONJSA-N 2 0 257.378 -0.101 20 0 CBADRP CCCNC(=O)C[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001493761444 919617463 /nfs/dbraw/zinc/61/74/63/919617463.db2.gz KHPGWVPSONXJQU-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]CC(=O)NC1CC1 ZINC001493806859 919624134 /nfs/dbraw/zinc/62/41/34/919624134.db2.gz QRMQNWGDRAHDHB-UHFFFAOYSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+](C[C@H](C)O)C1 ZINC001494633806 919757457 /nfs/dbraw/zinc/75/74/57/919757457.db2.gz UWHMXTOVMRWMSF-NSHDSACASA-N 2 0 257.378 -0.245 20 0 CBADRP CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H](C)C(=O)NC ZINC001495049454 919852310 /nfs/dbraw/zinc/85/23/10/919852310.db2.gz JEMAMHXIKAFXOX-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001495577669 919906468 /nfs/dbraw/zinc/90/64/68/919906468.db2.gz JLTKOYGKSOOYRQ-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[NH2+]CCO ZINC001495573717 919907048 /nfs/dbraw/zinc/90/70/48/919907048.db2.gz ASIKQXLXHJJXRQ-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)C[NH2+][C@H]1CCNC1=O ZINC001495682550 919928476 /nfs/dbraw/zinc/92/84/76/919928476.db2.gz FKEFLWBPMMYACQ-AAEUAGOBSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1cnn(C)n1 ZINC001495731715 919938187 /nfs/dbraw/zinc/93/81/87/919938187.db2.gz SXGLWMULEUQXLC-NSHDSACASA-N 2 0 282.392 -0.391 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001495816255 919953365 /nfs/dbraw/zinc/95/33/65/919953365.db2.gz SDXCBHHAYCKMCD-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001496055424 920021020 /nfs/dbraw/zinc/02/10/20/920021020.db2.gz LRGQXZGJZNCQDF-RYUDHWBXSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001496146182 920034102 /nfs/dbraw/zinc/03/41/02/920034102.db2.gz XUTQBYZRTYBZGM-MNOVXSKESA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001496150284 920034625 /nfs/dbraw/zinc/03/46/25/920034625.db2.gz PPNJFLZMSNLSAK-DGCLKSJQSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCO ZINC001496362520 920061730 /nfs/dbraw/zinc/06/17/30/920061730.db2.gz YPWSFKRSNMPOPA-NEPJUHHUSA-N 2 0 257.378 -0.243 20 0 CBADRP CC(C)[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC(N)=O ZINC001496560852 920086136 /nfs/dbraw/zinc/08/61/36/920086136.db2.gz HGYDYPLDJKTQNV-OLZOCXBDSA-N 2 0 296.415 -0.456 20 0 CBADRP CC(C)[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC(N)=O ZINC001496560854 920087492 /nfs/dbraw/zinc/08/74/92/920087492.db2.gz HGYDYPLDJKTQNV-STQMWFEESA-N 2 0 296.415 -0.456 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001497004065 920200686 /nfs/dbraw/zinc/20/06/86/920200686.db2.gz UUJYKCCWOGZLNF-STQMWFEESA-N 2 0 299.415 -0.690 20 0 CBADRP Cc1nocc1C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001497046282 920227421 /nfs/dbraw/zinc/22/74/21/920227421.db2.gz IIRLUILVVDTLNP-GFCCVEGCSA-N 2 0 284.360 -0.499 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]Cc1cncc(F)c1 ZINC001497046299 920227590 /nfs/dbraw/zinc/22/75/90/920227590.db2.gz IMCZNNBMAJGVQN-CYBMUJFWSA-N 2 0 298.362 -0.261 20 0 CBADRP C[C@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001497207544 920271348 /nfs/dbraw/zinc/27/13/48/920271348.db2.gz YUTYXZZLGIEFBT-MNOVXSKESA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H](CC[NH2+]CCO)NC(=O)C1(C[NH+](C)C)CC1 ZINC001497257126 920277236 /nfs/dbraw/zinc/27/72/36/920277236.db2.gz SKWDEAODXZEOMZ-NSHDSACASA-N 2 0 257.378 -0.195 20 0 CBADRP CC[C@@H]([NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCCC1)C(N)=O ZINC001497321838 920280623 /nfs/dbraw/zinc/28/06/23/920280623.db2.gz GXOKNSMELZEDBB-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](CC[NH2+]Cc1nncn1C)NC(=O)C[NH+]1CCCC1 ZINC001497324229 920284825 /nfs/dbraw/zinc/28/48/25/920284825.db2.gz SMGHMSQCXVLTQD-GFCCVEGCSA-N 2 0 294.403 -0.105 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001497363047 920292460 /nfs/dbraw/zinc/29/24/60/920292460.db2.gz YEGDGKMSKMLYIT-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@@H]([NH2+]CCN(CC)C(=O)C[NH+]1CCCC1)C(N)=O ZINC001497496251 920309255 /nfs/dbraw/zinc/30/92/55/920309255.db2.gz USGLFOAXDAKEOH-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001497486636 920309506 /nfs/dbraw/zinc/30/95/06/920309506.db2.gz OZARJAUMVOAYNV-GFCCVEGCSA-N 2 0 294.399 -0.591 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001497495400 920311784 /nfs/dbraw/zinc/31/17/84/920311784.db2.gz GTQKMGUFWNJHOB-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497495399 920313538 /nfs/dbraw/zinc/31/35/38/920313538.db2.gz GTQKMGUFWNJHOB-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP CCNC(=O)C[NH2+]CCN(CC)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497484194 920313602 /nfs/dbraw/zinc/31/36/02/920313602.db2.gz JCGBZNAWZIIQBD-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CCCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001497651843 920361961 /nfs/dbraw/zinc/36/19/61/920361961.db2.gz ZOAWAPAAGGWWKC-DSYXLKISSA-N 2 0 296.415 -0.131 20 0 CBADRP C[NH+]1CCC(CC(=O)NC/C=C\C[NH2+]CC(N)=O)CC1 ZINC001497690536 920372385 /nfs/dbraw/zinc/37/23/85/920372385.db2.gz GWINSNVUGJOIHS-IHWYPQMZSA-N 2 0 282.388 -0.534 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001497818925 920404411 /nfs/dbraw/zinc/40/44/11/920404411.db2.gz YIYVOEYARCXOAF-VXGBXAGGSA-N 2 0 297.403 -0.467 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NC)[NH+](C)C ZINC001497836470 920406649 /nfs/dbraw/zinc/40/66/49/920406649.db2.gz YGDMAIDXUCTYJL-GMTAPVOTSA-N 2 0 272.393 -0.445 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001497900586 920422255 /nfs/dbraw/zinc/42/22/55/920422255.db2.gz USQWILFGRCYNMS-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](C[NH2+]C[C@H](C)O)NC(=O)C12CC[NH+](CC1)C2 ZINC001497962952 920430910 /nfs/dbraw/zinc/43/09/10/920430910.db2.gz MLPVPKSWZUTIMY-MNOVXSKESA-N 2 0 255.362 -0.443 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001498153857 920503210 /nfs/dbraw/zinc/50/32/10/920503210.db2.gz TUDYRLOTCQQDSW-QWRGUYRKSA-N 2 0 298.387 -0.772 20 0 CBADRP CC[NH+](CC)CC(=O)NC1CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001498195348 920514757 /nfs/dbraw/zinc/51/47/57/920514757.db2.gz KAYJTWPKEBXEAQ-UHFFFAOYSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)NC(=O)CC[NH+]1CCCCC1 ZINC001498197677 920516123 /nfs/dbraw/zinc/51/61/23/920516123.db2.gz UPBQSTJLWSJQKV-NSHDSACASA-N 2 0 270.377 -0.558 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001498197891 920517031 /nfs/dbraw/zinc/51/70/31/920517031.db2.gz ZHPQKMWBZVOECF-NSHDSACASA-N 2 0 284.404 -0.301 20 0 CBADRP CCN1CC[C@@H]([N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001498394687 920571993 /nfs/dbraw/zinc/57/19/93/920571993.db2.gz LGHOVPONOSHFKI-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](C[N@H+](C)CCn1cncn1)NC(=O)Cc1ncc[nH]1 ZINC001498416973 920576884 /nfs/dbraw/zinc/57/68/84/920576884.db2.gz ZNQZKSAGRUWEAO-NSHDSACASA-N 2 0 291.359 -0.320 20 0 CBADRP C[C@H]([NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1)C(N)=O ZINC001498817019 920642378 /nfs/dbraw/zinc/64/23/78/920642378.db2.gz JMXCQVQCNVTKNE-GXFFZTMASA-N 2 0 296.415 -0.314 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CCO)C1CC1 ZINC001498878255 920653231 /nfs/dbraw/zinc/65/32/31/920653231.db2.gz ZQMSOZXZRSIFJL-LBPRGKRZSA-N 2 0 257.378 -0.197 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001499183932 920715147 /nfs/dbraw/zinc/71/51/47/920715147.db2.gz NBVWLIANYBWBOX-NEPJUHHUSA-N 2 0 294.399 -0.402 20 0 CBADRP CCNC(=O)C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001499330959 920735898 /nfs/dbraw/zinc/73/58/98/920735898.db2.gz YOZJKZOTTYGYEB-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH+](C)CCC(=O)NCC1([NH2+]CCn2cncn2)CC1 ZINC001499339739 920740339 /nfs/dbraw/zinc/74/03/39/920740339.db2.gz JKOKCEPAXVYPIJ-UHFFFAOYSA-N 2 0 280.376 -0.532 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC1([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001499447969 920747253 /nfs/dbraw/zinc/74/72/53/920747253.db2.gz BXFRUOYHFPNKLP-GFCCVEGCSA-N 2 0 294.399 -0.401 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001499448869 920747452 /nfs/dbraw/zinc/74/74/52/920747452.db2.gz VTVMJBVAEHWZES-VHSXEESVSA-N 2 0 268.361 -0.950 20 0 CBADRP CC[C@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001499448931 920749012 /nfs/dbraw/zinc/74/90/12/920749012.db2.gz XMAZICCKNPBRJD-MNOVXSKESA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCC[NH+](C)C ZINC001499844983 920775228 /nfs/dbraw/zinc/77/52/28/920775228.db2.gz SXAOVAKRBWUUNO-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001499901659 920782021 /nfs/dbraw/zinc/78/20/21/920782021.db2.gz QLRRRMHMMHMWOW-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001500259049 920823166 /nfs/dbraw/zinc/82/31/66/920823166.db2.gz ZMZGJQPUVJFCCJ-DOMZBBRYSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+]1CCC(CC(=O)NC[C@]2(O)CC[N@H+](CCO)C2)CC1 ZINC001500735863 920875408 /nfs/dbraw/zinc/87/54/08/920875408.db2.gz ILLOPQXTDKWCHN-OAHLLOKOSA-N 2 0 299.415 -0.736 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](CCCO)C1 ZINC001500767276 920880642 /nfs/dbraw/zinc/88/06/42/920880642.db2.gz YKPAZYWPOQOHIB-AWEZNQCLSA-N 2 0 287.404 -0.738 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(N)=O)[C@H]2C1 ZINC001507359534 921810333 /nfs/dbraw/zinc/81/03/33/921810333.db2.gz DFRZCPYGOHCQLI-AVGNSLFASA-N 2 0 296.415 -0.360 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001507419631 921823957 /nfs/dbraw/zinc/82/39/57/921823957.db2.gz WBANAHAGETUBRL-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001507419629 921824298 /nfs/dbraw/zinc/82/42/98/921824298.db2.gz WBANAHAGETUBRL-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001507419632 921825473 /nfs/dbraw/zinc/82/54/73/921825473.db2.gz WBANAHAGETUBRL-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001507726802 921895551 /nfs/dbraw/zinc/89/55/51/921895551.db2.gz NBVLFVUJPUEJTN-QWHCGFSZSA-N 2 0 287.404 -0.664 20 0 CBADRP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]CCn2cncn2)C1 ZINC001508135630 921917582 /nfs/dbraw/zinc/91/75/82/921917582.db2.gz SQMIJDLWZOLPDS-UHFFFAOYSA-N 2 0 294.403 -0.191 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@@]23CC[NH2+]C3)=NO1 ZINC001514547557 922202957 /nfs/dbraw/zinc/20/29/57/922202957.db2.gz GLZUDULJUVBOAB-CABZTGNLSA-N 2 0 252.318 -0.556 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)[C@@H](CO)C1 ZINC001515357593 922232069 /nfs/dbraw/zinc/23/20/69/922232069.db2.gz HAGPPAAVYRERFX-OUAUKWLOSA-N 2 0 255.362 -0.505 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(c2nccnc2C[NH3+])[C@H](C)C1 ZINC001515658621 922239726 /nfs/dbraw/zinc/23/97/26/922239726.db2.gz JMWKTCBXPNGELL-GHMZBOCLSA-N 2 0 265.361 -0.173 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001521158351 922334870 /nfs/dbraw/zinc/33/48/70/922334870.db2.gz LQPDOOMFNFLBLQ-IJLUTSLNSA-N 2 0 254.378 -0.526 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001521152261 922337029 /nfs/dbraw/zinc/33/70/29/922337029.db2.gz SDMSBXIBQHSNKF-LLVKDONJSA-N 2 0 282.388 -0.689 20 0 CBADRP CCCN(C(=O)[C@@H]1C[NH2+]CCN1C)C1CC[NH2+]CC1 ZINC001521408964 922354474 /nfs/dbraw/zinc/35/44/74/922354474.db2.gz PNARFPVAEVKXLD-ZDUSSCGKSA-N 2 0 268.405 -0.119 20 0 CBADRP C[C@@H]1C[N@@H+](CCCCNC(=O)CNCC[NH3+])C[C@H](C)O1 ZINC001521445649 922355649 /nfs/dbraw/zinc/35/56/49/922355649.db2.gz IBRNLFYOZIRKFZ-BETUJISGSA-N 2 0 286.420 -0.460 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C1(C[NH3+])CC(O)C1 ZINC001521470914 922358318 /nfs/dbraw/zinc/35/83/18/922358318.db2.gz VKHNFPOHMVQXQZ-XSRFYTQQSA-N 2 0 257.378 -0.067 20 0 CBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H](O)C[NH3+])C1 ZINC001521496162 922361345 /nfs/dbraw/zinc/36/13/45/922361345.db2.gz PJDSDKZFFOJEQJ-VXGBXAGGSA-N 2 0 257.378 -0.114 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC001521502727 922361904 /nfs/dbraw/zinc/36/19/04/922361904.db2.gz ATIAGXYBKSXYBQ-VXGBXAGGSA-N 2 0 254.378 -0.665 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC001521495826 922362200 /nfs/dbraw/zinc/36/22/00/922362200.db2.gz LYRBJVJZPKVQKK-CHWSQXEVSA-N 2 0 268.405 -0.310 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@@H](O)C[NH3+])C1 ZINC001521482887 922362552 /nfs/dbraw/zinc/36/25/52/922362552.db2.gz XMRBAADROCWCLI-VXGBXAGGSA-N 2 0 257.378 -0.210 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001521496251 922363063 /nfs/dbraw/zinc/36/30/63/922363063.db2.gz RPSMPHBVLPYREN-TZMCWYRMSA-N 2 0 269.389 -0.051 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC001521495827 922363355 /nfs/dbraw/zinc/36/33/55/922363355.db2.gz LYRBJVJZPKVQKK-OLZOCXBDSA-N 2 0 268.405 -0.310 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001521527792 922364285 /nfs/dbraw/zinc/36/42/85/922364285.db2.gz UMEXOJWWDMDCAC-QJPTWQEYSA-N 2 0 252.362 -0.757 20 0 CBADRP C[NH2+]CCN(C)C(=O)c1cc2n(n1)CCC[C@H]2[NH3+] ZINC001521513332 922364367 /nfs/dbraw/zinc/36/43/67/922364367.db2.gz TYNYNXYKYJPFLD-SECBINFHSA-N 2 0 251.334 -0.032 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001521513421 922365472 /nfs/dbraw/zinc/36/54/72/922365472.db2.gz VKGMCJIJHGEPON-YPMHNXCESA-N 2 0 252.362 -0.898 20 0 CBADRP [NH3+]CCCSCCC(=O)N1CCO[C@H](C[NH3+])C1 ZINC001521519634 922366517 /nfs/dbraw/zinc/36/65/17/922366517.db2.gz RQTYZMSLUCFZOB-SNVBAGLBSA-N 2 0 261.391 -0.355 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@]2(O)CCC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC001521513926 922366658 /nfs/dbraw/zinc/36/66/58/922366658.db2.gz ZSMJPMDCAYCQRP-NTZNESFSSA-N 2 0 255.362 -0.300 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]([NH3+])C(C)(C)O ZINC001521872495 922388007 /nfs/dbraw/zinc/38/80/07/922388007.db2.gz RDQBVXWALWYCNK-LLVKDONJSA-N 2 0 257.378 -0.115 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001521907301 922389631 /nfs/dbraw/zinc/38/96/31/922389631.db2.gz PYFFSTVCYPJALN-UYVFGJEYSA-N 2 0 255.362 -0.457 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001521929490 922392356 /nfs/dbraw/zinc/39/23/56/922392356.db2.gz CIXFALNDGPDXBL-CHWSQXEVSA-N 2 0 269.389 -0.066 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@H]1CC12CC[NH2+]CC2 ZINC001521974197 922393380 /nfs/dbraw/zinc/39/33/80/922393380.db2.gz NJURCUDKSVLKHW-WDEREUQCSA-N 2 0 265.357 -0.377 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC001521971087 922393449 /nfs/dbraw/zinc/39/34/49/922393449.db2.gz CQALIUJOZPFINV-KXUCPTDWSA-N 2 0 257.309 -0.819 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC3CC2(C[NH3+])C3)C1=O ZINC001521993405 922393678 /nfs/dbraw/zinc/39/36/78/922393678.db2.gz OJTDRPJXJDIOTF-CVZZAPKMSA-N 2 0 280.372 -0.867 20 0 CBADRP [NH3+][C@H]1CC[C@H](C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CC1 ZINC001521974050 922394534 /nfs/dbraw/zinc/39/45/34/922394534.db2.gz MUOGAQWZWAXZSC-DCAQKATOSA-N 2 0 253.346 -0.249 20 0 CBADRP O=C(N[C@H]1COC2(C[NH2+]C2)C1)[C@H]1CC12CC[NH2+]CC2 ZINC001521974188 922394720 /nfs/dbraw/zinc/39/47/20/922394720.db2.gz NJURCUDKSVLKHW-GHMZBOCLSA-N 2 0 265.357 -0.377 20 0 CBADRP C[NH+](C)C1(C(=O)N2CCC[C@H]([NH2+]CCO)C2)CC1 ZINC001522233568 922404659 /nfs/dbraw/zinc/40/46/59/922404659.db2.gz USSSLNQPPIZMMC-NSHDSACASA-N 2 0 255.362 -0.347 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001522299042 922407077 /nfs/dbraw/zinc/40/70/77/922407077.db2.gz XDIQFGXRSHREKE-CDWSIMAYSA-N 2 0 269.389 -0.019 20 0 CBADRP [NH3+]CCCN(CC(F)(F)F)C(=O)CNCC[NH3+] ZINC001522429934 922413167 /nfs/dbraw/zinc/41/31/67/922413167.db2.gz CBYICCCFQDXOAQ-UHFFFAOYSA-N 2 0 256.272 -0.726 20 0 CBADRP CCC1([NH3+])CCN(C(=O)[C@H](C)[C@@H](O)C[NH2+]C)CC1 ZINC001522444805 922417050 /nfs/dbraw/zinc/41/70/50/922417050.db2.gz HYMULAWRFAGJHA-MNOVXSKESA-N 2 0 257.378 -0.067 20 0 CBADRP CCC1([NH+]2CCC2)CCN(C(=O)[C@H]([NH3+])CO)CC1 ZINC001522494400 922428033 /nfs/dbraw/zinc/42/80/33/922428033.db2.gz DZUXPHMHILNCLT-LLVKDONJSA-N 2 0 255.362 -0.217 20 0 CBADRP CCO[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)O)C[NH+](C)C ZINC001522889162 922545213 /nfs/dbraw/zinc/54/52/13/922545213.db2.gz BASMAOAHRUHQMD-NXEZZACHSA-N 2 0 261.366 -0.833 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001522930404 922546998 /nfs/dbraw/zinc/54/69/98/922546998.db2.gz LFMLLMVCZRWOFF-AWEZNQCLSA-N 2 0 299.463 -0.543 20 0 CBADRP C[C@]1(C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C[C@H](O)C[NH2+]1 ZINC001523228236 922576099 /nfs/dbraw/zinc/57/60/99/922576099.db2.gz DHXCFRUUSFQBMO-YUTCNCBUSA-N 2 0 267.373 -0.156 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001523442013 922593321 /nfs/dbraw/zinc/59/33/21/922593321.db2.gz OGBNFPCUDGUFKC-WDEREUQCSA-N 2 0 267.373 -0.131 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCO[C@H]3C[NH3+])C[C@]2(C)C1 ZINC001523448554 922593337 /nfs/dbraw/zinc/59/33/37/922593337.db2.gz OCGQOTXDTDVTHX-UHXUPSOCSA-N 2 0 267.373 -0.240 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001523442005 922593763 /nfs/dbraw/zinc/59/37/63/922593763.db2.gz OGBNFPCUDGUFKC-MNOVXSKESA-N 2 0 267.373 -0.131 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001523442010 922594566 /nfs/dbraw/zinc/59/45/66/922594566.db2.gz OGBNFPCUDGUFKC-QWRGUYRKSA-N 2 0 267.373 -0.131 20 0 CBADRP CN1CCN(C(=O)C2(C)C[NH2+]C2)CC[N@H+](C)CC1 ZINC001523482662 922596575 /nfs/dbraw/zinc/59/65/75/922596575.db2.gz URKYUZQREOZPLK-UHFFFAOYSA-N 2 0 254.378 -0.698 20 0 CBADRP [NH3+]C[C@]1(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCCOC1 ZINC001523500146 922597694 /nfs/dbraw/zinc/59/76/94/922597694.db2.gz OCPFYKHSZURWIK-SBFPOUOMSA-N 2 0 253.346 -0.249 20 0 CBADRP [NH3+]C1(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC001524008466 922614062 /nfs/dbraw/zinc/61/40/62/922614062.db2.gz HFDMRLSRMRJIEF-MNOVXSKESA-N 2 0 253.346 -0.465 20 0 CBADRP C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@H]1C[N@H+](C)CCN1C ZINC001524028322 922614728 /nfs/dbraw/zinc/61/47/28/922614728.db2.gz ARCIGYJBRAMBST-CKIKVBCHSA-N 2 0 266.389 -0.513 20 0 CBADRP [NH3+]C1(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC001524008468 922616033 /nfs/dbraw/zinc/61/60/33/922616033.db2.gz HFDMRLSRMRJIEF-QWRGUYRKSA-N 2 0 253.346 -0.465 20 0 CBADRP CCN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC001524265823 922627764 /nfs/dbraw/zinc/62/77/64/922627764.db2.gz GBIDIOAQEVMDSN-NXEZZACHSA-N 2 0 254.334 -0.310 20 0 CBADRP Cc1c(C(=O)N2C[C@H]([NH3+])C[C@H]2C)nnn1[C@@H]1CC[NH2+]C1 ZINC001548464527 923354774 /nfs/dbraw/zinc/35/47/74/923354774.db2.gz UQHAOCVIKKWKKV-FBIMIBRVSA-N 2 0 278.360 -0.317 20 0 CBADRP C[NH+](C)C[C@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)CCO1 ZINC001548443087 923355988 /nfs/dbraw/zinc/35/59/88/923355988.db2.gz FYJVMHYIQCLJGJ-AWEZNQCLSA-N 2 0 299.415 -0.520 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548535432 923368107 /nfs/dbraw/zinc/36/81/07/923368107.db2.gz LZZHUXDCRJSREF-WZRBSPASSA-N 2 0 255.362 -0.146 20 0 CBADRP C[C@H](NC(=O)[C@H]1C[NH2+]CCN1C)C(C)(C)C[NH+](C)C ZINC001548553217 923375072 /nfs/dbraw/zinc/37/50/72/923375072.db2.gz QBBGUGJJOWLWSK-NWDGAFQWSA-N 2 0 270.421 -0.018 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCO3)CC[N@@H+]1C ZINC001548552179 923375566 /nfs/dbraw/zinc/37/55/66/923375566.db2.gz FAFWTXCRGUGVAU-NMKXLXIOSA-N 2 0 267.373 -0.036 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001548553684 923376126 /nfs/dbraw/zinc/37/61/26/923376126.db2.gz YDKWLPGSPIUVAC-AWEZNQCLSA-N 2 0 296.415 -0.787 20 0 CBADRP COc1cc[nH+]c(N2CCN(C(=O)C[C@H](O)C[NH3+])CC2)c1 ZINC001548554494 923377245 /nfs/dbraw/zinc/37/72/45/923377245.db2.gz VFGJIIMGDYEOBK-NSHDSACASA-N 2 0 294.355 -0.552 20 0 CBADRP O=C(C1=NOC2(C1)CC[NH2+]CC2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001548556696 923378421 /nfs/dbraw/zinc/37/84/21/923378421.db2.gz CQMGSZDRGZTSEO-PHIMTYICSA-N 2 0 278.356 -0.437 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC001548554731 923378671 /nfs/dbraw/zinc/37/86/71/923378671.db2.gz JQISHXGXWYGWKV-NWDGAFQWSA-N 2 0 252.362 -0.757 20 0 CBADRP O=C(C1=NO[C@]2(C1)CCC[NH2+]C2)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001548557777 923379951 /nfs/dbraw/zinc/37/99/51/923379951.db2.gz CRTCRPKXMGLCHI-OSMZGAPFSA-N 2 0 278.356 -0.295 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC001548554610 923380876 /nfs/dbraw/zinc/38/08/76/923380876.db2.gz CMCWEWLWFVMCPQ-ZDUSSCGKSA-N 2 0 278.356 -0.134 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548562947 923385218 /nfs/dbraw/zinc/38/52/18/923385218.db2.gz JSPOJTNEHAVGCE-DNJQJEMRSA-N 2 0 253.346 -0.393 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NCC[C@H]1CSCC[NH2+]1 ZINC001548563741 923385744 /nfs/dbraw/zinc/38/57/44/923385744.db2.gz POSQBWDXYYKENO-QWRGUYRKSA-N 2 0 273.402 -0.424 20 0 CBADRP COc1cccc([C@H]([NH3+])C(=O)N[C@H]2COC3(C[NH2+]C3)C2)c1 ZINC001548569161 923388794 /nfs/dbraw/zinc/38/87/94/923388794.db2.gz MBOODQYCCCMJDB-YPMHNXCESA-N 2 0 291.351 -0.058 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001548568432 923389316 /nfs/dbraw/zinc/38/93/16/923389316.db2.gz GUMCRXSQCBZUTM-ZJUUUORDSA-N 2 0 271.386 -0.671 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001548564833 923389572 /nfs/dbraw/zinc/38/95/72/923389572.db2.gz GZNKSJQUCRZZJS-VWYCJHECSA-N 2 0 273.402 -0.439 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NCC[C@H]2CSCC[NH2+]2)=NO1 ZINC001548566065 923389681 /nfs/dbraw/zinc/38/96/81/923389681.db2.gz UAKRGLATJGIURU-IUCAKERBSA-N 2 0 272.374 -0.699 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001548575339 923399163 /nfs/dbraw/zinc/39/91/63/923399163.db2.gz CLXHTXXQIAHDJE-KGLIPLIRSA-N 2 0 277.368 -0.260 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548575362 923399945 /nfs/dbraw/zinc/39/99/45/923399945.db2.gz AMUMJCAUEYFZFM-SNVBAGLBSA-N 2 0 255.362 -0.179 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC001548575895 923399968 /nfs/dbraw/zinc/39/99/68/923399968.db2.gz JZWQDGHDCSWQSU-GFCCVEGCSA-N 2 0 262.313 -0.013 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001548574532 923400179 /nfs/dbraw/zinc/40/01/79/923400179.db2.gz FVDJYJFCMGBQNU-NEPJUHHUSA-N 2 0 287.429 -0.346 20 0 CBADRP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCC[C@H]([NH2+]CCO)C1 ZINC001548574967 923400997 /nfs/dbraw/zinc/40/09/97/923400997.db2.gz PVCCXNWKSGANTP-YDHLFZDLSA-N 2 0 281.400 -0.051 20 0 CBADRP O=C(C1=NOC2(C1)CC[NH2+]CC2)N1CCOC2(C[NH2+]C2)C1 ZINC001548573904 923401020 /nfs/dbraw/zinc/40/10/20/923401020.db2.gz QVBMAEJDJAOONU-UHFFFAOYSA-N 2 0 294.355 -0.914 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@]13C[NH2+]C[C@H]1CCO3)C2 ZINC001548574445 923401155 /nfs/dbraw/zinc/40/11/55/923401155.db2.gz AAXSAGWOKIPJLC-RZFFKMDDSA-N 2 0 279.384 -0.177 20 0 CBADRP O=C(C1=NO[C@]2(C1)CCC[NH2+]C2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001548576431 923402578 /nfs/dbraw/zinc/40/25/78/923402578.db2.gz GAIKYGPWIRYZGF-WDMOLILDSA-N 2 0 278.356 -0.152 20 0 CBADRP CC1(C)CN(C(=O)C[C@@H]2COCC[NH2+]2)CC2(C[NH2+]C2)O1 ZINC001548577854 923402594 /nfs/dbraw/zinc/40/25/94/923402594.db2.gz IPUIUWLADCNJLU-LLVKDONJSA-N 2 0 283.372 -0.656 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548580126 923403964 /nfs/dbraw/zinc/40/39/64/923403964.db2.gz WARXXWMDBCKSDS-JTQLQIEISA-N 2 0 271.361 -0.670 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC001548576284 923404035 /nfs/dbraw/zinc/40/40/35/923404035.db2.gz OCTGPNNASNFUCT-OCCSQVGLSA-N 2 0 277.368 -0.088 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C1=NOC3(C1)CC[NH2+]CC3)C2 ZINC001548581368 923404751 /nfs/dbraw/zinc/40/47/51/923404751.db2.gz GWEYOSHPXPZUTQ-SMDDNHRTSA-N 2 0 292.383 -0.047 20 0 CBADRP CC1(C)CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@H]1[NH3+] ZINC001548585950 923406433 /nfs/dbraw/zinc/40/64/33/923406433.db2.gz QDOZOJSBYFCHEE-GHMZBOCLSA-N 2 0 282.388 -0.560 20 0 CBADRP CC1(C)CN(C(=O)[C@]23C[NH2+]C[C@H]2CCO3)C[C@H]1[NH3+] ZINC001548584917 923407852 /nfs/dbraw/zinc/40/78/52/923407852.db2.gz GWEHQKOZXFNYJA-BREBYQMCSA-N 2 0 253.346 -0.439 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC001548583570 923408168 /nfs/dbraw/zinc/40/81/68/923408168.db2.gz BGOVBEMYCKCFOK-GFCCVEGCSA-N 2 0 268.405 -0.180 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH+](CC2CC2)CC1 ZINC001548628979 923416595 /nfs/dbraw/zinc/41/65/95/923416595.db2.gz YTWWCUNELNXOKP-HIFRSBDPSA-N 2 0 292.427 -0.071 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH+](CC2CC2)CC1 ZINC001548629031 923417794 /nfs/dbraw/zinc/41/77/94/923417794.db2.gz YTWWCUNELNXOKP-ZFWWWQNUSA-N 2 0 292.427 -0.071 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCN2C[C@@H]3C)C1 ZINC001548642749 923421377 /nfs/dbraw/zinc/42/13/77/923421377.db2.gz GPLFLEGSRMPEIV-MELADBBJSA-N 2 0 296.415 -0.788 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCN2C[C@H]3C)C1 ZINC001548642746 923422030 /nfs/dbraw/zinc/42/20/30/923422030.db2.gz GPLFLEGSRMPEIV-HZSPNIEDSA-N 2 0 296.415 -0.788 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC001548638126 923422490 /nfs/dbraw/zinc/42/24/90/923422490.db2.gz IASUYXWSIFTDNQ-MGPQQGTHSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC001548644741 923425392 /nfs/dbraw/zinc/42/53/92/923425392.db2.gz WBINMDPLKRTHTN-VHDGCEQUSA-N 2 0 292.427 -0.073 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCN2C[C@@H]3C)CC[N@@H+]1C ZINC001548653233 923433626 /nfs/dbraw/zinc/43/36/26/923433626.db2.gz BWIHLKJXONHWLV-XJFOESAGSA-N 2 0 280.416 -0.026 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH+]1CCCOCC1 ZINC001548689890 923454384 /nfs/dbraw/zinc/45/43/84/923454384.db2.gz IUWLKYYCRYPZMM-KBPBESRZSA-N 2 0 296.415 -0.787 20 0 CBADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001548711707 923471880 /nfs/dbraw/zinc/47/18/80/923471880.db2.gz VFCGPVPZHXYTBV-AAVRWANBSA-N 2 0 280.416 -0.074 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC001548731531 923482015 /nfs/dbraw/zinc/48/20/15/923482015.db2.gz GTEBDGCEIPEXRH-MCIONIFRSA-N 2 0 278.400 -0.319 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@](O)(C[NH+](C)C)C2)C1 ZINC001548750072 923494837 /nfs/dbraw/zinc/49/48/37/923494837.db2.gz MJBNSMAQOHNSDD-TZMCWYRMSA-N 2 0 269.389 -0.147 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC001548939930 923515137 /nfs/dbraw/zinc/51/51/37/923515137.db2.gz YIWWIMLUHBKPQS-RISCZKNCSA-N 2 0 290.371 -0.219 20 0 CBADRP CC(=O)N1CC[C@]([NH3+])(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC001548939605 923515296 /nfs/dbraw/zinc/51/52/96/923515296.db2.gz VPDQOLFITVACQR-ZIAGYGMSSA-N 2 0 280.372 -0.709 20 0 CBADRP [NH3+][C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001548991908 923521573 /nfs/dbraw/zinc/52/15/73/923521573.db2.gz SSEUGMPRAFKSQF-UTUOFQBUSA-N 2 0 270.377 -0.066 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3[NH2+]CC3(C)C)C[C@@H]2[NH3+])cn1 ZINC001549033515 923525411 /nfs/dbraw/zinc/52/54/11/923525411.db2.gz PSYOGMDYHQNGGZ-SDDRHHMPSA-N 2 0 277.372 -0.329 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549033497 923526347 /nfs/dbraw/zinc/52/63/47/923526347.db2.gz NUOHYNKPHOFVFU-BIMULSAOSA-N 2 0 277.372 -0.186 20 0 CBADRP O=C(CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC001549043475 923527167 /nfs/dbraw/zinc/52/71/67/923527167.db2.gz KBOOSDPFQJJBFL-UONOGXRCSA-N 2 0 280.416 -0.118 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC001549032537 923527578 /nfs/dbraw/zinc/52/75/78/923527578.db2.gz YPYYWIVOAWUBBO-SMDDNHRTSA-N 2 0 280.372 -0.791 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3[NH2+]CC3(C)C)C[C@@H]2[NH3+])cn1 ZINC001549033516 923527901 /nfs/dbraw/zinc/52/79/01/923527901.db2.gz PSYOGMDYHQNGGZ-SRVKXCTJSA-N 2 0 277.372 -0.329 20 0 CBADRP [NH3+]Cc1ccc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)o1 ZINC001549044565 923528796 /nfs/dbraw/zinc/52/87/96/923528796.db2.gz XHEWWDYIVVPXOA-NSHDSACASA-N 2 0 278.356 -0.142 20 0 CBADRP COC1(C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)CC[NH2+]CC1 ZINC001549044555 923529710 /nfs/dbraw/zinc/52/97/10/923529710.db2.gz CPHJLPBNEBTDSX-RYUDHWBXSA-N 2 0 283.372 -0.656 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549044724 923534455 /nfs/dbraw/zinc/53/44/55/923534455.db2.gz IZFKPBUNNXZKNB-CHWSQXEVSA-N 2 0 283.372 -0.656 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1)C1CCOCC1 ZINC001549044976 923534900 /nfs/dbraw/zinc/53/49/00/923534900.db2.gz MLXLODYYEADVNP-AVGNSLFASA-N 2 0 283.372 -0.670 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1)C1CCOCC1 ZINC001549044978 923534971 /nfs/dbraw/zinc/53/49/71/923534971.db2.gz MLXLODYYEADVNP-XQQFMLRXSA-N 2 0 283.372 -0.670 20 0 CBADRP [NH3+][C@H](CC(F)F)C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549044795 923535709 /nfs/dbraw/zinc/53/57/09/923535709.db2.gz GYOAACNHUFRSRH-VGMNWLOBSA-N 2 0 263.288 -0.442 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549044727 923535843 /nfs/dbraw/zinc/53/58/43/923535843.db2.gz IZFKPBUNNXZKNB-STQMWFEESA-N 2 0 283.372 -0.656 20 0 CBADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549044789 923536917 /nfs/dbraw/zinc/53/69/17/923536917.db2.gz GWRDOIOLZFPKAH-MNXVOIDGSA-N 2 0 265.357 -0.425 20 0 CBADRP [NH3+]Cc1cc(C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)co1 ZINC001549045165 923537107 /nfs/dbraw/zinc/53/71/07/923537107.db2.gz ZLUWMXUBTLSEKZ-NEPJUHHUSA-N 2 0 265.313 -0.059 20 0 CBADRP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549045548 923540478 /nfs/dbraw/zinc/54/04/78/923540478.db2.gz DFTNWLWUHNPAMF-KBPBESRZSA-N 2 0 292.427 -0.118 20 0 CBADRP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)C1 ZINC001549045230 923540966 /nfs/dbraw/zinc/54/09/66/923540966.db2.gz PISJICYUSPJXHX-QCNOEVLYSA-N 2 0 253.346 -0.297 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)C3([NH3+])CCC3)C2)nn1 ZINC001549047327 923542727 /nfs/dbraw/zinc/54/27/27/923542727.db2.gz PMGUCBBCVXLREX-NSHDSACASA-N 2 0 278.360 -0.218 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001549047266 923543125 /nfs/dbraw/zinc/54/31/25/923543125.db2.gz MYSIAAOLKGTHRT-GXSJLCMTSA-N 2 0 266.349 -0.362 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C2)nn1 ZINC001549046907 923543789 /nfs/dbraw/zinc/54/37/89/923543789.db2.gz CRPFOMAPVAFDMN-JHEVNIALSA-N 2 0 290.371 -0.349 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3CCC[NH2+]3)C2)nn1 ZINC001549047306 923544152 /nfs/dbraw/zinc/54/41/52/923544152.db2.gz ODOCOQWFEKSDGD-RYUDHWBXSA-N 2 0 278.360 -0.348 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001549048705 923545511 /nfs/dbraw/zinc/54/55/11/923545511.db2.gz FONYPVKTNXOHDN-RWMBFGLXSA-N 2 0 285.388 -0.295 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CCCO1 ZINC001549048302 923545755 /nfs/dbraw/zinc/54/57/55/923545755.db2.gz CFEUNOKWGMXQTN-QWRGUYRKSA-N 2 0 293.371 -0.324 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CCCO1 ZINC001549048305 923546240 /nfs/dbraw/zinc/54/62/40/923546240.db2.gz CFEUNOKWGMXQTN-WDEREUQCSA-N 2 0 293.371 -0.324 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001549047816 923546715 /nfs/dbraw/zinc/54/67/15/923546715.db2.gz ZQUQVZPRVCAXJJ-NHCYSSNCSA-N 2 0 280.376 -0.116 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@H]1c1ccccc1F ZINC001549051254 923548962 /nfs/dbraw/zinc/54/89/62/923548962.db2.gz UGLCGPPWTWZQMV-VMXABPDPSA-N 2 0 293.342 -0.198 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549050417 923549590 /nfs/dbraw/zinc/54/95/90/923549590.db2.gz MZXDDQLWPDSGFA-FBIMIBRVSA-N 2 0 251.334 -0.732 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@H]1c1ccccc1F ZINC001549051250 923549779 /nfs/dbraw/zinc/54/97/79/923549779.db2.gz UGLCGPPWTWZQMV-MWQHPAIMSA-N 2 0 293.342 -0.198 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549049642 923550054 /nfs/dbraw/zinc/55/00/54/923550054.db2.gz FFOCAXSUYLENFT-MVWJERBFSA-N 2 0 265.361 -0.471 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001549050801 923550503 /nfs/dbraw/zinc/55/05/03/923550503.db2.gz NXXLNHXQOFZMIU-QSFUFRPTSA-N 2 0 265.361 -0.344 20 0 CBADRP O=C1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)N1 ZINC001549077163 923552271 /nfs/dbraw/zinc/55/22/71/923552271.db2.gz XZPLPJUORKBXRI-LPWJVIDDSA-N 2 0 267.373 -0.158 20 0 CBADRP O=C1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)N1 ZINC001549077164 923552664 /nfs/dbraw/zinc/55/26/64/923552664.db2.gz XZPLPJUORKBXRI-XQHKEYJVSA-N 2 0 267.373 -0.158 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549127875 923559485 /nfs/dbraw/zinc/55/94/85/923559485.db2.gz HAIYHNPSAZPHBQ-NTZNESFSSA-N 2 0 255.362 -0.062 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C2 ZINC001549128456 923559746 /nfs/dbraw/zinc/55/97/46/923559746.db2.gz MGKBEXSOTZFOIF-XUJVJEKNSA-N 2 0 294.399 -0.558 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)[C@@H]3C[NH2+]CCO3)C2)C1 ZINC001549123969 923559873 /nfs/dbraw/zinc/55/98/73/923559873.db2.gz KEMYJBGGYCTDBC-MQYQWHSLSA-N 2 0 297.399 -0.280 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@H]2C(F)(F)F)CCCO1 ZINC001549125026 923560593 /nfs/dbraw/zinc/56/05/93/923560593.db2.gz YWVWIHFTZWNIRU-KXUCPTDWSA-N 2 0 295.305 -0.040 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N2C[C@@H]3CCC[C@@]3(C[NH3+])C2)nn1 ZINC001549126861 923560840 /nfs/dbraw/zinc/56/08/40/923560840.db2.gz FKMOFDVBMGQZTA-SMDDNHRTSA-N 2 0 292.387 -0.172 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[C@@H]1F ZINC001549211086 923570139 /nfs/dbraw/zinc/57/01/39/923570139.db2.gz TVPRCXUKJDNPNE-GARJFASQSA-N 2 0 274.340 -0.554 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2CCCC[NH2+]C2)CCCO1 ZINC001549286998 923578103 /nfs/dbraw/zinc/57/81/03/923578103.db2.gz OQUJAAAJVHMYRM-RYUDHWBXSA-N 2 0 255.362 -0.048 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001549292985 923580071 /nfs/dbraw/zinc/58/00/71/923580071.db2.gz GRPUOTHOKRIWJA-NEPJUHHUSA-N 2 0 280.376 -0.102 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C[C@@H]1F)NC[C@H]1C[NH2+]CCCO1 ZINC001549291630 923581624 /nfs/dbraw/zinc/58/16/24/923581624.db2.gz HBKRHCVBUYKINV-TUAOUCFPSA-N 2 0 273.352 -0.181 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N2C[C@@H]([NH3+])[C@@H](c3cnn(C)c3)C2)O1 ZINC001549293039 923581691 /nfs/dbraw/zinc/58/16/91/923581691.db2.gz QWJKLGPNAGQECR-OJAKKHQRSA-N 2 0 293.371 -0.950 20 0 CBADRP CC(C)[NH2+]CC(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549292162 923581969 /nfs/dbraw/zinc/58/19/69/923581969.db2.gz JUUKCQYAXVWGSB-NEPJUHHUSA-N 2 0 265.361 -0.329 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C[C@@H]1F)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549294252 923583388 /nfs/dbraw/zinc/58/33/88/923583388.db2.gz RIBBZWAVFFSKRK-WUHRBBMRSA-N 2 0 285.363 -0.087 20 0 CBADRP O=C(NCC1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC001549302056 923587480 /nfs/dbraw/zinc/58/74/80/923587480.db2.gz GGWNYQHCCSMFPX-KGLIPLIRSA-N 2 0 281.400 -0.053 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001549298890 923587687 /nfs/dbraw/zinc/58/76/87/923587687.db2.gz YVKZELMRCKKLSM-IQLKVPPVSA-N 2 0 290.371 -0.234 20 0 CBADRP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC001549302698 923588888 /nfs/dbraw/zinc/58/88/88/923588888.db2.gz UNQMHVVKKMFBRC-MJBXVCDLSA-N 2 0 281.400 -0.053 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549730374 923632118 /nfs/dbraw/zinc/63/21/18/923632118.db2.gz IUDIJGWZJXERBM-ITDIGPHOSA-N 2 0 296.415 -0.123 20 0 CBADRP CC[NH2+]CC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549728460 923632248 /nfs/dbraw/zinc/63/22/48/923632248.db2.gz QVMLQCASTMQVLA-FZMZJTMJSA-N 2 0 282.388 -0.641 20 0 CBADRP CO[C@@H]1C[NH2+][C@H](C(=O)N2C[C@H]([NH3+])[C@H](c3cn(C)cn3)C2)C1 ZINC001549734219 923632956 /nfs/dbraw/zinc/63/29/56/923632956.db2.gz CCFBMLVCJRHOBD-USZNOCQGSA-N 2 0 293.371 -0.950 20 0 CBADRP C[C@H]([NH3+])C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549729054 923633095 /nfs/dbraw/zinc/63/30/95/923633095.db2.gz XXLCKHISFPJGPM-PTOFAABTSA-N 2 0 268.361 -0.903 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549729385 923633343 /nfs/dbraw/zinc/63/33/43/923633343.db2.gz BQUTZECWQJLPSP-SGMGOOAPSA-N 2 0 296.415 -0.253 20 0 CBADRP CC[NH2+]CC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549728458 923633655 /nfs/dbraw/zinc/63/36/55/923633655.db2.gz QVMLQCASTMQVLA-BXUZGUMPSA-N 2 0 282.388 -0.641 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)C[NH2+]C3CC3)C[C@H]2[NH3+])c1 ZINC001549733422 923633702 /nfs/dbraw/zinc/63/37/02/923633702.db2.gz AQBJTZHBRRRULK-GHMZBOCLSA-N 2 0 263.345 -0.575 20 0 CBADRP [NH3+]CCC(=O)NCc1ccncc1O[C@@H]1CC[NH2+]C1 ZINC001549728788 923633719 /nfs/dbraw/zinc/63/37/19/923633719.db2.gz JMOLPRAFVDBZRQ-LLVKDONJSA-N 2 0 264.329 -0.213 20 0 CBADRP O=C(C[NH2+]C1CC1)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549731005 923633837 /nfs/dbraw/zinc/63/38/37/923633837.db2.gz LKBSIYNISZWHNN-WFASDCNBSA-N 2 0 294.399 -0.499 20 0 CBADRP CC(C)[NH2+]CC(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549731908 923634051 /nfs/dbraw/zinc/63/40/51/923634051.db2.gz BGRZTRBGLMRHSG-QWRGUYRKSA-N 2 0 265.361 -0.329 20 0 CBADRP O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001549728936 923634062 /nfs/dbraw/zinc/63/40/62/923634062.db2.gz UYFBPYORKNGKTP-SGMGOOAPSA-N 2 0 294.399 -0.641 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549736002 923635060 /nfs/dbraw/zinc/63/50/60/923635060.db2.gz OCQXQYDAKUAODM-LPEHRKFASA-N 2 0 251.334 -0.590 20 0 CBADRP C[NH2+]CCC(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549735908 923635667 /nfs/dbraw/zinc/63/56/67/923635667.db2.gz HGFCPRGUGYJRPI-UWVGGRQHSA-N 2 0 251.334 -0.717 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH3+])C1 ZINC001549737165 923635716 /nfs/dbraw/zinc/63/57/16/923635716.db2.gz IJLMVPDRBNLBLU-HBNTYKKESA-N 2 0 265.361 -0.199 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH3+])C1 ZINC001549735885 923635766 /nfs/dbraw/zinc/63/57/66/923635766.db2.gz MMKZMLUVARYTMN-GMTAPVOTSA-N 2 0 265.361 -0.329 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549737159 923635809 /nfs/dbraw/zinc/63/58/09/923635809.db2.gz IJLMVPDRBNLBLU-GARJFASQSA-N 2 0 265.361 -0.199 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH3+])C1 ZINC001549736000 923635944 /nfs/dbraw/zinc/63/59/44/923635944.db2.gz OCQXQYDAKUAODM-IVZWLZJFSA-N 2 0 251.334 -0.590 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)C(C)(C)C[NH3+])C[C@@H]2[NH3+])c1 ZINC001549736842 923636084 /nfs/dbraw/zinc/63/60/84/923636084.db2.gz WQSHRROCMNVQGB-ZJUUUORDSA-N 2 0 265.361 -0.342 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[NH2+]C3)C[C@H]2[NH3+])c1 ZINC001549736883 923636390 /nfs/dbraw/zinc/63/63/90/923636390.db2.gz YZWLZQWRGDHSBT-IJLUTSLNSA-N 2 0 277.372 -0.327 20 0 CBADRP Cn1cnc([C@H]2CN(C(=O)C3([NH3+])CCCC3)C[C@H]2[NH3+])c1 ZINC001549736790 923636625 /nfs/dbraw/zinc/63/66/25/923636625.db2.gz WPGXRTHGYYOFLG-WDEREUQCSA-N 2 0 277.372 -0.055 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)C[C@@H]2[NH3+])c1 ZINC001549736725 923636763 /nfs/dbraw/zinc/63/67/63/923636763.db2.gz VLTATBUSHAWUQQ-VWYCJHECSA-N 2 0 263.345 -0.575 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH3+])C1 ZINC001549745565 923638093 /nfs/dbraw/zinc/63/80/93/923638093.db2.gz ZRKWCDWDUGFMAY-OPRDCNLKSA-N 2 0 251.334 -0.732 20 0 CBADRP Cn1cnc([C@H]2CN(C(=O)C3CC([NH3+])C3)C[C@@H]2[NH3+])c1 ZINC001549740123 923638240 /nfs/dbraw/zinc/63/82/40/923638240.db2.gz WDPSQZJFOOQAAJ-TVUZUIDESA-N 2 0 263.345 -0.590 20 0 CBADRP C[NH2+][C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549740838 923638415 /nfs/dbraw/zinc/63/84/15/923638415.db2.gz RAEMCBRYJCAPMP-IRUJWGPZSA-N 2 0 282.388 -0.643 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549745367 923639334 /nfs/dbraw/zinc/63/93/34/923639334.db2.gz YLAUXTDCXJIBSX-XWLWVQCSSA-N 2 0 265.361 -0.344 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1 ZINC001549745561 923639539 /nfs/dbraw/zinc/63/95/39/923639539.db2.gz ZRKWCDWDUGFMAY-BBBLOLIVSA-N 2 0 251.334 -0.732 20 0 CBADRP Cn1nnnc1CC[N@@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001549776478 923641941 /nfs/dbraw/zinc/64/19/41/923641941.db2.gz SJBDCPWRAWZZFG-PWSUYJOCSA-N 2 0 250.350 -0.187 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@]3(C)CCC[NH2+]3)C[C@@H]2[NH3+])c1 ZINC001549748858 923642548 /nfs/dbraw/zinc/64/25/48/923642548.db2.gz QHUVUBREQDBTBC-UHIISALHSA-N 2 0 277.372 -0.185 20 0 CBADRP O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@]12C[NH2+]C[C@H]1COC2 ZINC001549884953 923644706 /nfs/dbraw/zinc/64/47/06/923644706.db2.gz LHQMNPHCHKHZDG-QFZUJPIRSA-N 2 0 279.384 -0.131 20 0 CBADRP CC(=O)N1CC[C@]([NH3+])(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC001549900140 923644939 /nfs/dbraw/zinc/64/49/39/923644939.db2.gz AKGKASLIKIUVSP-SWLSCSKDSA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC[C@@H]21 ZINC001549883188 923644986 /nfs/dbraw/zinc/64/49/86/923644986.db2.gz LENDLJLYJOKTHS-AGIUHOORSA-N 2 0 294.399 -0.593 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001549884287 923645427 /nfs/dbraw/zinc/64/54/27/923645427.db2.gz WGEZPAPHRFNFGX-WVMKXHBISA-N 2 0 294.399 -0.499 20 0 CBADRP O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[NH2+]CCO1 ZINC001549882648 923645741 /nfs/dbraw/zinc/64/57/41/923645741.db2.gz LGOVMHDEGSTUQW-YATPEIPISA-N 2 0 253.346 -0.378 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@]23CCC[C@@H]2C[NH2+]C3)CCCO1 ZINC001549902282 923647016 /nfs/dbraw/zinc/64/70/16/923647016.db2.gz WZGHEDASXHQAEG-BZPMIXESSA-N 2 0 267.373 -0.048 20 0 CBADRP CC1(C)CC[NH2+]CCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC001549902225 923647116 /nfs/dbraw/zinc/64/71/16/923647116.db2.gz QBSCOTAMNGWBHF-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](C(=O)N2CC[NH2+]CCC2(C)C)O1 ZINC001549901871 923647788 /nfs/dbraw/zinc/64/77/88/923647788.db2.gz AVUJJRJRZIRTPH-WDEREUQCSA-N 2 0 255.362 -0.036 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550006248 923657590 /nfs/dbraw/zinc/65/75/90/923657590.db2.gz ZOFAVLBYECJOQZ-KBPBESRZSA-N 2 0 280.416 -0.071 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550006250 923658176 /nfs/dbraw/zinc/65/81/76/923658176.db2.gz ZOFAVLBYECJOQZ-KGLIPLIRSA-N 2 0 280.416 -0.071 20 0 CBADRP C[C@@H](C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)[NH+](C)C ZINC001550062313 923664516 /nfs/dbraw/zinc/66/45/16/923664516.db2.gz FVWCMARFMDDVHD-CMPLNLGQSA-N 2 0 280.376 -0.150 20 0 CBADRP C[C@H](C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)[NH+](C)C ZINC001550062315 923664707 /nfs/dbraw/zinc/66/47/07/923664707.db2.gz FVWCMARFMDDVHD-PWSUYJOCSA-N 2 0 280.376 -0.150 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC001550076446 923665965 /nfs/dbraw/zinc/66/59/65/923665965.db2.gz YMHBIQNZQGTXJM-OLZOCXBDSA-N 2 0 297.399 -0.578 20 0 CBADRP CO[C@@H]1C[NH2+][C@H](C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC001550074011 923666118 /nfs/dbraw/zinc/66/61/18/923666118.db2.gz RRSNSAZQZWLNTM-DCAQKATOSA-N 2 0 253.346 -0.236 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001550073502 923666143 /nfs/dbraw/zinc/66/61/43/923666143.db2.gz KLAMLMOESKCYPN-NQBHXWOUSA-N 2 0 265.357 -0.377 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2OCC[C@H]2[NH3+])CC1 ZINC001550076086 923667488 /nfs/dbraw/zinc/66/74/88/923667488.db2.gz FOHPTVCNNNYVET-OLZOCXBDSA-N 2 0 297.399 -0.184 20 0 CBADRP O=C(NC[C@@H]1CC12CC[NH2+]CC2)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001550080361 923669034 /nfs/dbraw/zinc/66/90/34/923669034.db2.gz JPVLHKWHYRHSNA-SLEUVZQESA-N 2 0 279.384 -0.272 20 0 CBADRP O=C(NC[C@@H]1CC12CC[NH2+]CC2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001550084416 923669465 /nfs/dbraw/zinc/66/94/65/923669465.db2.gz DCCMVQPUYQMSCI-DCAQKATOSA-N 2 0 253.346 -0.785 20 0 CBADRP CC(=O)N1CC[C@@]([NH3+])(C(=O)NC[C@@H]2CC23CC[NH2+]CC3)C1 ZINC001550080519 923669653 /nfs/dbraw/zinc/66/96/53/923669653.db2.gz JYFDRCNPWAJKLO-WFASDCNBSA-N 2 0 294.399 -0.558 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550084556 923670585 /nfs/dbraw/zinc/67/05/85/923670585.db2.gz FAVGPDDJIUAYHQ-YPMHNXCESA-N 2 0 296.415 -0.408 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]1)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550088313 923671739 /nfs/dbraw/zinc/67/17/39/923671739.db2.gz MQNLHPJUDPAFMB-ZYHUDNBSSA-N 2 0 278.360 -0.429 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]1C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001550090887 923674997 /nfs/dbraw/zinc/67/49/97/923674997.db2.gz ZZDAIFMEMSFBFX-BFHYXJOUSA-N 2 0 297.399 -0.280 20 0 CBADRP C[C@@]1(C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)CC[NH2+]C1 ZINC001550088927 923675528 /nfs/dbraw/zinc/67/55/28/923675528.db2.gz YJOWKXCMEMLILH-DGCLKSJQSA-N 2 0 278.360 -0.572 20 0 CBADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1CCCC[NH2+]1 ZINC001550088595 923675953 /nfs/dbraw/zinc/67/59/53/923675953.db2.gz UTPKIKIQMINJOT-NEPJUHHUSA-N 2 0 278.360 -0.429 20 0 CBADRP C[C@H]([NH3+])CCC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001550093091 923677219 /nfs/dbraw/zinc/67/72/19/923677219.db2.gz UALAYIRUCGZARQ-WCQYABFASA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+]1CCC(n2cc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)cn2)CC1 ZINC001550098161 923681261 /nfs/dbraw/zinc/68/12/61/923681261.db2.gz LVDPISIEZIUFSV-STQMWFEESA-N 2 0 293.371 -0.189 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCN(C(=O)[C@]3(F)CC[NH2+]C3)C2)nn1 ZINC001550097463 923682253 /nfs/dbraw/zinc/68/22/53/923682253.db2.gz NAYXEKYKSVJTKX-JQWIXIFHSA-N 2 0 282.323 -0.788 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCC[NH2+]3)C2)nn1 ZINC001550097262 923682272 /nfs/dbraw/zinc/68/22/72/923682272.db2.gz HZORMGIRLNSYKM-GHMZBOCLSA-N 2 0 264.333 -0.738 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC[C@@H]21 ZINC001550103519 923683016 /nfs/dbraw/zinc/68/30/16/923683016.db2.gz CNVBULBQRGMPRP-RHYQMDGZSA-N 2 0 253.346 -0.738 20 0 CBADRP O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001550104820 923683275 /nfs/dbraw/zinc/68/32/75/923683275.db2.gz BHMRWNLIPVNYSP-UPUXHGCUSA-N 2 0 253.346 -0.644 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)c3cn(CCC[NH3+])nn3)CC[C@H]21 ZINC001550104433 923683546 /nfs/dbraw/zinc/68/35/46/923683546.db2.gz NISGYORBLWEFTL-WCQYABFASA-N 2 0 292.387 -0.207 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3ncccn3)CC[C@H]21 ZINC001550105154 923683887 /nfs/dbraw/zinc/68/38/87/923683887.db2.gz ZXYQLMOEYPNHKI-FRRDWIJNSA-N 2 0 289.383 -0.101 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550104754 923684141 /nfs/dbraw/zinc/68/41/41/923684141.db2.gz AFDYTSXBLDAKIY-GPWHNMLOSA-N 2 0 296.415 -0.267 20 0 CBADRP COc1ccc([C@@H]2CN(C(=O)C3(O)C[NH2+]C3)C[C@@H]2[NH3+])cc1 ZINC001550103483 923684687 /nfs/dbraw/zinc/68/46/87/923684687.db2.gz BZIHRDFHLWEFCD-STQMWFEESA-N 2 0 291.351 -0.717 20 0 CBADRP [NH3+][C@H](Cc1ncccn1)C(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550106014 923684815 /nfs/dbraw/zinc/68/48/15/923684815.db2.gz QNBVZKILEXNEQB-PSEXLTFBSA-N 2 0 289.383 -0.007 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001550110110 923685838 /nfs/dbraw/zinc/68/58/38/923685838.db2.gz FAMHXHYXQVQREG-WZRBSPASSA-N 2 0 290.371 -0.221 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550112720 923685892 /nfs/dbraw/zinc/68/58/92/923685892.db2.gz WLLSTDIMNWVHKL-AGIUHOORSA-N 2 0 297.399 -0.375 20 0 CBADRP [NH3+][C@H]1CCO[C@H]1C(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550106915 923687093 /nfs/dbraw/zinc/68/70/93/923687093.db2.gz ZPXYASIUDZXCNY-OLSMOAAXSA-N 2 0 253.346 -0.251 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001550107826 923687308 /nfs/dbraw/zinc/68/73/08/923687308.db2.gz MQDYSBKDZFXELS-TUAOUCFPSA-N 2 0 280.372 -0.793 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCC[NH2+]3)C2)CC1 ZINC001550116777 923688770 /nfs/dbraw/zinc/68/87/70/923688770.db2.gz RTVFVXIVONMKJD-KGLIPLIRSA-N 2 0 280.416 -0.023 20 0 CBADRP [NH3+]C[C@H](C(=O)NC12CC(C[NH3+])(C1)C2)C1CCOCC1 ZINC001550118505 923688956 /nfs/dbraw/zinc/68/89/56/923688956.db2.gz ZQOZHCCHVVMWMZ-XGNXJENSSA-N 2 0 267.373 -0.015 20 0 CBADRP [NH3+]CC12CC(NC(=O)[C@@]3(C[NH3+])CCCOC3)(C1)C2 ZINC001550118395 923688971 /nfs/dbraw/zinc/68/89/71/923688971.db2.gz URYLJLGHCGOISQ-OTTFEQOBSA-N 2 0 253.346 -0.261 20 0 CBADRP C[NH2+]CCC(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550117249 923689718 /nfs/dbraw/zinc/68/97/18/923689718.db2.gz XJJZGKHDZMKXDW-LBPRGKRZSA-N 2 0 254.378 -0.556 20 0 CBADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001550122404 923694424 /nfs/dbraw/zinc/69/44/24/923694424.db2.gz GDUALWWLFOFSFZ-QVHKTLOISA-N 2 0 279.384 -0.083 20 0 CBADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001550121844 923694512 /nfs/dbraw/zinc/69/45/12/923694512.db2.gz BDWAESAISJMJGY-RWMBFGLXSA-N 2 0 294.399 -0.450 20 0 CBADRP [NH3+]CC12CC(NC(=O)CO[C@H]3CCC[NH2+]C3)(C1)C2 ZINC001550120484 923695890 /nfs/dbraw/zinc/69/58/90/923695890.db2.gz QPPIVWMGADBGLY-PKSQDBQZSA-N 2 0 253.346 -0.247 20 0 CBADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cn(CCC[NH3+])nn1 ZINC001550122417 923695978 /nfs/dbraw/zinc/69/59/78/923695978.db2.gz GHHINTHBZNZVKA-QWHCGFSZSA-N 2 0 292.387 -0.064 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001550183296 923703036 /nfs/dbraw/zinc/70/30/36/923703036.db2.gz MNQXECMNPWKKNL-XQQFMLRXSA-N 2 0 285.388 -0.295 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001550188776 923706472 /nfs/dbraw/zinc/70/64/72/923706472.db2.gz NUJZHTCMFQJEQK-OLZOCXBDSA-N 2 0 285.388 -0.423 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550190315 923709643 /nfs/dbraw/zinc/70/96/43/923709643.db2.gz SIIHPMXOMQAUMD-VXGBXAGGSA-N 2 0 292.387 -0.326 20 0 CBADRP [NH3+][C@H](CC1CC1)C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550190376 923710030 /nfs/dbraw/zinc/71/00/30/923710030.db2.gz UPQMRKDGQUMFGD-VXGBXAGGSA-N 2 0 278.360 -0.444 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001550197567 923710054 /nfs/dbraw/zinc/71/00/54/923710054.db2.gz KHUIACYGNKBYEP-LLVKDONJSA-N 2 0 282.388 -0.334 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550190311 923710186 /nfs/dbraw/zinc/71/01/86/923710186.db2.gz SIIHPMXOMQAUMD-NWDGAFQWSA-N 2 0 292.387 -0.326 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001550195738 923710898 /nfs/dbraw/zinc/71/08/98/923710898.db2.gz VNNGKLGNIHJJBI-CHWSQXEVSA-N 2 0 263.341 -0.209 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH2+]CCC12CCC2 ZINC001550204729 923711212 /nfs/dbraw/zinc/71/12/12/923711212.db2.gz JXVFIMPKQQYKQR-GFCCVEGCSA-N 2 0 294.399 -0.401 20 0 CBADRP N[C@@H]1CN(C(=O)NCC2CC[NH+](CC3CC3)CC2)C[C@@H]1[NH3+] ZINC001550269714 923712006 /nfs/dbraw/zinc/71/20/06/923712006.db2.gz HKOSHKWWVRMZCF-OKILXGFUSA-N 2 0 295.431 -0.212 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@@H](NC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC001550268969 923712061 /nfs/dbraw/zinc/71/20/61/923712061.db2.gz DIVWJQLAOFEHCY-MQYJIDSJSA-N 2 0 296.415 -0.117 20 0 CBADRP [NH3+]C[C@@H]1CCCN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001550266952 923712646 /nfs/dbraw/zinc/71/26/46/923712646.db2.gz QKSDMBAKWQLLKD-QWRGUYRKSA-N 2 0 256.350 -0.502 20 0 CBADRP C[C@]12C[NH2+]C[C@@H]1CN(C(=O)NCC13CC(C1)C[NH2+]3)C2 ZINC001550269222 923713220 /nfs/dbraw/zinc/71/32/20/923713220.db2.gz WBYWPBPBQNFHJS-BGZAYEDQSA-N 2 0 264.373 -0.011 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001550232596 923713671 /nfs/dbraw/zinc/71/36/71/923713671.db2.gz GLYCKNWYXOASHI-YPMHNXCESA-N 2 0 255.362 -0.048 20 0 CBADRP CCC1([NH+]2CCC2)CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC001550230005 923714223 /nfs/dbraw/zinc/71/42/23/923714223.db2.gz VVZKRGIVRSUSSL-UHFFFAOYSA-N 2 0 282.388 -0.462 20 0 CBADRP N[C@@H]1CN(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C[C@H]1[NH3+] ZINC001550290150 923716633 /nfs/dbraw/zinc/71/66/33/923716633.db2.gz VIKZGIQZIRJARF-BFHYXJOUSA-N 2 0 289.383 -0.619 20 0 CBADRP O[C@@H]1C[C@@H]2CN(C[C@@H]3CC4(C[NH2+]C4)CO3)CC[N@@H+]2C1 ZINC001550436889 923731506 /nfs/dbraw/zinc/73/15/06/923731506.db2.gz VMBHHPBKDNCHCD-UPJWGTAASA-N 2 0 267.373 -0.884 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001550720833 923737157 /nfs/dbraw/zinc/73/71/57/923737157.db2.gz MFMFMCVKLALEQH-PIZYFPAZSA-N 2 0 251.330 -0.626 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001550731512 923740308 /nfs/dbraw/zinc/74/03/08/923740308.db2.gz ASSVOHJIBDFGHS-JHJVBQTASA-N 2 0 284.404 -0.090 20 0 CBADRP [NH3+][C@]12CC[C@@H]1CN(C(=O)NC[C@H]1C[NH2+]CCCO1)C2 ZINC001550731995 923740386 /nfs/dbraw/zinc/74/03/86/923740386.db2.gz CRAZOSBKBVHFGE-WZRBSPASSA-N 2 0 268.361 -0.502 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)C[C@@H]1CC[NH3+] ZINC001550731371 923740440 /nfs/dbraw/zinc/74/04/40/923740440.db2.gz LOYUHJGKWPNYRP-AGIUHOORSA-N 2 0 284.404 -0.009 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC001550729847 923741815 /nfs/dbraw/zinc/74/18/15/923741815.db2.gz BEISHSALCAXMHO-AGIUHOORSA-N 2 0 282.388 -0.242 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001550741788 923743000 /nfs/dbraw/zinc/74/30/00/923743000.db2.gz CQBZVSJUBPNGBX-VXGBXAGGSA-N 2 0 282.388 -0.099 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001550733904 923743385 /nfs/dbraw/zinc/74/33/85/923743385.db2.gz XNEROOBRSSRKPZ-IJLUTSLNSA-N 2 0 270.377 -0.480 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N[C@H]1CC[NH2+]C12CCC2 ZINC001550746466 923743499 /nfs/dbraw/zinc/74/34/99/923743499.db2.gz PLGNUFDAQYCEKN-AEJSXWLSSA-N 2 0 256.325 -0.120 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC001550745854 923743729 /nfs/dbraw/zinc/74/37/29/923743729.db2.gz MPIKKVQBXFMWQH-WCQYABFASA-N 2 0 282.388 -0.234 20 0 CBADRP C[N@@H+]1[C@H](CO)C[C@@H]2CN(C(=O)NCC34CC(C3)C[NH2+]4)C[C@H]21 ZINC001550744574 923743741 /nfs/dbraw/zinc/74/37/41/923743741.db2.gz PHRUCBJVRAJDBB-DPWYMPPLSA-N 2 0 294.399 -0.555 20 0 CBADRP [NH3+][C@@H]1CCOC[C@H]1NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001550734885 923744626 /nfs/dbraw/zinc/74/46/26/923744626.db2.gz CGAFHLICMKBVFZ-GMTAPVOTSA-N 2 0 268.361 -0.314 20 0 CBADRP C[N@H+]1[C@H]2CN(C(=O)NCC34CC(C3)C[NH2+]4)C[C@@H]2C[C@H]1CO ZINC001550744587 923744663 /nfs/dbraw/zinc/74/46/63/923744663.db2.gz PHRUCBJVRAJDBB-XWRJPITESA-N 2 0 294.399 -0.555 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CC[NH2+]C[C@@H](O)C1 ZINC001550742845 923745038 /nfs/dbraw/zinc/74/50/38/923745038.db2.gz FGODZKXRDGTFDU-MNOVXSKESA-N 2 0 268.361 -0.753 20 0 CBADRP O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)N1CC[NH2+]CC1 ZINC001550757384 923746745 /nfs/dbraw/zinc/74/67/45/923746745.db2.gz XSWGUTIOBMAGCD-GFCCVEGCSA-N 2 0 282.388 -0.240 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550754512 923747464 /nfs/dbraw/zinc/74/74/64/923747464.db2.gz AYCLAKBNFPVRIF-RYUDHWBXSA-N 2 0 282.388 -0.194 20 0 CBADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550754898 923747898 /nfs/dbraw/zinc/74/78/98/923747898.db2.gz DJLRORSRYVDSNQ-MNOVXSKESA-N 2 0 270.377 -0.209 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550913290 923756282 /nfs/dbraw/zinc/75/62/82/923756282.db2.gz OOOXHNQIRSQGEE-IUODEOHRSA-N 2 0 296.415 -0.253 20 0 CBADRP O=C1CC[C@H](NC[C@H]2CCC[NH2+]2)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550915080 923756433 /nfs/dbraw/zinc/75/64/33/923756433.db2.gz ZENUJLAHBXIMNE-VNHYZAJKSA-N 2 0 280.416 -0.025 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2C[C@@H]3C[NH+](C)C[C@@]3(C)C2)C1 ZINC001551086324 923762477 /nfs/dbraw/zinc/76/24/77/923762477.db2.gz ZQUCEGZKOGDFIS-HOCLYGCPSA-N 2 0 294.443 -0.110 20 0 CBADRP C[C@@H]1C(=O)NCCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC001551396837 923772147 /nfs/dbraw/zinc/77/21/47/923772147.db2.gz SQSVCLNPOOCPGL-MBNYWOFBSA-N 2 0 267.373 -0.035 20 0 CBADRP CNC(=O)[C@@]12C[N@H+](C[C@H]3CC[NH2+]C3)C[C@@H]1COCC2 ZINC001551411912 923779422 /nfs/dbraw/zinc/77/94/22/923779422.db2.gz UPYJETQMJHODPW-SCRDCRAPSA-N 2 0 267.373 -0.320 20 0 CBADRP CNC(=O)[C@@]12C[N@H+](C[C@H]3C[NH2+]C[C@@H]3C)C[C@H]1COCC2 ZINC001551411278 923779974 /nfs/dbraw/zinc/77/99/74/923779974.db2.gz SDMHVJBUTVFFOJ-XFMPKHEZSA-N 2 0 281.400 -0.074 20 0 CBADRP CNC(=O)[C@@]12C[N@H+](C[C@@H]3CC[NH2+]C3)C[C@H]1COCC2 ZINC001551411908 923782325 /nfs/dbraw/zinc/78/23/25/923782325.db2.gz UPYJETQMJHODPW-DYEKYZERSA-N 2 0 267.373 -0.320 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[C@H]2CC[NH2+]C[C@H]2C1 ZINC001551464607 923795169 /nfs/dbraw/zinc/79/51/69/923795169.db2.gz LDPNZTBMPHFSEI-QMVSFRDZSA-N 2 0 279.384 -0.036 20 0 CBADRP [NH3+]C[C@H]1CCO[C@H]1C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001551464906 923796110 /nfs/dbraw/zinc/79/61/10/923796110.db2.gz CAQLKVZHPYNHBU-CHWSQXEVSA-N 2 0 297.399 -0.279 20 0 CBADRP [NH3+]C[C@H]1C[C@H](C(=O)N2CC[NH2+]CCC23CCOCC3)CO1 ZINC001551461404 923796383 /nfs/dbraw/zinc/79/63/83/923796383.db2.gz LMWDXYHYHWPIQT-QWHCGFSZSA-N 2 0 297.399 -0.279 20 0 CBADRP [NH3+][C@H]1c2ccccc2C[C@H]1NC(=O)N1CCOC[C@@H]([NH3+])C1 ZINC001551484681 923797965 /nfs/dbraw/zinc/79/79/65/923797965.db2.gz BPKXNKFZLYJVGV-YUTCNCBUSA-N 2 0 290.367 -0.020 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001551467374 923798135 /nfs/dbraw/zinc/79/81/35/923798135.db2.gz ZLXTWZSVOFXNFZ-IHRRRGAJSA-N 2 0 295.383 -0.515 20 0 CBADRP [NH3+][C@]12CC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]3OCC[C@H]3[NH2+]1)C2 ZINC001551466786 923798431 /nfs/dbraw/zinc/79/84/31/923798431.db2.gz WGUHPWNQOPGYGN-IIEKFROSSA-N 2 0 251.330 -0.545 20 0 CBADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC001551502856 923800100 /nfs/dbraw/zinc/80/01/00/923800100.db2.gz IJLUBAAGXLNEQT-IACUBPJLSA-N 2 0 290.367 -0.101 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)NC1CC2(C[C@H]2[NH3+])C1 ZINC001551567214 923802125 /nfs/dbraw/zinc/80/21/25/923802125.db2.gz JIWWKDAALOWDNW-QRVCZOOMSA-N 2 0 268.361 -0.504 20 0 CBADRP C[N@H+]1[C@H]2CN(C(=O)NC3CC4(C[C@H]4[NH3+])C3)C[C@H]2C[C@H]1CO ZINC001551586287 923804226 /nfs/dbraw/zinc/80/42/26/923804226.db2.gz MPLVUXAXVFEYGO-YCBCTKGMSA-N 2 0 294.399 -0.427 20 0 CBADRP [NH3+][C@H]1CC12CCC(NC(=O)NC[C@@H]1C[NH2+]CCO1)CC2 ZINC001551573252 923804400 /nfs/dbraw/zinc/80/44/00/923804400.db2.gz WGHDIMHGDAQWDC-ATJQQHLPSA-N 2 0 282.388 -0.066 20 0 CBADRP [NH3+][C@H]1CC12CCC(NC(=O)NC[C@H]1C[NH2+]CCO1)CC2 ZINC001551573255 923804491 /nfs/dbraw/zinc/80/44/91/923804491.db2.gz WGHDIMHGDAQWDC-BEVNXUHPSA-N 2 0 282.388 -0.066 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)NC2CC3(C[C@H]3[NH3+])C2)CCO1 ZINC001551595548 923808311 /nfs/dbraw/zinc/80/83/11/923808311.db2.gz ULOMKGXNUBGJQQ-CBKZZEEASA-N 2 0 282.388 -0.162 20 0 CBADRP C[N@@H+]1CCCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC001552087609 923829205 /nfs/dbraw/zinc/82/92/05/923829205.db2.gz ZMPXEHVNHIRUAO-NSHDSACASA-N 2 0 278.360 -0.410 20 0 CBADRP O=C([C@@H]1C[NH2+]CCOC1)N1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001552088262 923829295 /nfs/dbraw/zinc/82/92/95/923829295.db2.gz RLCIZEZAFZYDEI-UTUOFQBUSA-N 2 0 253.346 -0.567 20 0 CBADRP C[NH+](C)CCNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552087122 923829668 /nfs/dbraw/zinc/82/96/68/923829668.db2.gz LIOVPYMAXBAEPD-VIFPVBQESA-N 2 0 252.322 -0.896 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N(C)CC[NH3+])cnn1C ZINC001552091560 923831227 /nfs/dbraw/zinc/83/12/27/923831227.db2.gz ZQEQBVUVBLCBFS-NWDGAFQWSA-N 2 0 265.361 -0.551 20 0 CBADRP O=C([C@@H]1C[C@@H]1C1CC[NH2+]CC1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC001552160027 923838975 /nfs/dbraw/zinc/83/89/75/923838975.db2.gz IHNDCBJZCYDQLX-YIYPIFLZSA-N 2 0 279.384 -0.179 20 0 CBADRP [NH3+][C@H](CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)C1CC1 ZINC001552161375 923839302 /nfs/dbraw/zinc/83/93/02/923839302.db2.gz MUKNYUOVWLWPSN-NXEZZACHSA-N 2 0 264.333 -0.720 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NC[C@H]2CC[NH2+]C2)cnn1C ZINC001552161471 923840063 /nfs/dbraw/zinc/84/00/63/923840063.db2.gz OBPPTNWXVBFJOS-FPMFFAJLSA-N 2 0 291.399 -0.243 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552162411 923841686 /nfs/dbraw/zinc/84/16/86/923841686.db2.gz ZEXRJHSPPXXTMK-IUCAKERBSA-N 2 0 252.322 -0.720 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]CC1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552163536 923841641 /nfs/dbraw/zinc/84/16/41/923841641.db2.gz HERHDELBQYIIPM-GHMZBOCLSA-N 2 0 278.360 -0.316 20 0 CBADRP C[NH2+]CCNC(=O)[C@@H]1C[NH2+]C[C@H]1c1cnn(C)c1C ZINC001552163829 923841855 /nfs/dbraw/zinc/84/18/55/923841855.db2.gz XLSDGXXARXOUKG-NWDGAFQWSA-N 2 0 265.361 -0.633 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cnn(C)c1C ZINC001552163884 923841973 /nfs/dbraw/zinc/84/19/73/923841973.db2.gz KFLVVBOQPNXVEM-CYZMBNFOSA-N 2 0 279.388 -0.115 20 0 CBADRP C[NH2+]C[C@@H]1C[C@@H](F)CN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC001552163893 923841984 /nfs/dbraw/zinc/84/19/84/923841984.db2.gz KIIPHQCUTQWRLO-AXFHLTTASA-N 2 0 259.325 -0.619 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H]2CCC[NH2+]2)cnn1C ZINC001552162745 923842144 /nfs/dbraw/zinc/84/21/44/923842144.db2.gz GSNRIXRTUZUSLA-XBFCOCLRSA-N 2 0 291.399 -0.100 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]C1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552162999 923842238 /nfs/dbraw/zinc/84/22/38/923842238.db2.gz INKKGJAQSXFMGM-MNOVXSKESA-N 2 0 278.360 -0.458 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001552163847 923842289 /nfs/dbraw/zinc/84/22/89/923842289.db2.gz KAQHWSQWVWYYBE-QJPTWQEYSA-N 2 0 290.371 -0.364 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552162639 923842513 /nfs/dbraw/zinc/84/25/13/923842513.db2.gz CEHKSMIKIFGPBY-ZJUUUORDSA-N 2 0 264.333 -0.706 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CCC[NH2+]CC1 ZINC001552163252 923842909 /nfs/dbraw/zinc/84/29/09/923842909.db2.gz XRYJHYJDJIXJLO-SNVBAGLBSA-N 2 0 264.333 -0.752 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552162893 923843144 /nfs/dbraw/zinc/84/31/44/923843144.db2.gz RFBWKCXLOQNZIR-DTWKUNHWSA-N 2 0 252.322 -0.768 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]CC1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552163537 923843207 /nfs/dbraw/zinc/84/32/07/923843207.db2.gz HERHDELBQYIIPM-MNOVXSKESA-N 2 0 278.360 -0.316 20 0 CBADRP C[NH+]1CCC(NC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC001552166175 923843943 /nfs/dbraw/zinc/84/39/43/923843943.db2.gz APKXXOGIUJQEMO-NSHDSACASA-N 2 0 278.360 -0.364 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC[NH2+]1 ZINC001552164094 923844875 /nfs/dbraw/zinc/84/48/75/923844875.db2.gz MYQISGGGLXVGRG-VWYCJHECSA-N 2 0 278.360 -0.317 20 0 CBADRP C[NH2+]C[C@@H]1C[C@@H](F)CN1C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552164320 923844890 /nfs/dbraw/zinc/84/48/90/923844890.db2.gz SFJYVFIFMNJWBM-MXWKQRLJSA-N 2 0 296.350 -0.416 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC001552164184 923845216 /nfs/dbraw/zinc/84/52/16/923845216.db2.gz PEWUHEIYFJTMSS-MGPQQGTHSA-N 2 0 297.399 -0.423 20 0 CBADRP O=C(c1cn([C@H]2CC[NH2+]C2)nn1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001552164178 923845226 /nfs/dbraw/zinc/84/52/26/923845226.db2.gz PBPGYZSMPRXCGS-SMDDNHRTSA-N 2 0 290.371 -0.362 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)C(F)F ZINC001552164473 923845341 /nfs/dbraw/zinc/84/53/41/923845341.db2.gz VWNGUKAOABDCHM-HTQZYQBOSA-N 2 0 288.302 -0.475 20 0 CBADRP [NH3+]C[C@@]12CCC[C@H]1CN(C(=O)NCCN1CC[NH2+]CC1)C2 ZINC001552188528 923847196 /nfs/dbraw/zinc/84/71/96/923847196.db2.gz GHPJAFVGFZNIJP-DZGCQCFKSA-N 2 0 295.431 -0.338 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552193696 923847874 /nfs/dbraw/zinc/84/78/74/923847874.db2.gz BMECZWXJZDLAEP-ZWNOBZJWSA-N 2 0 253.346 -0.567 20 0 CBADRP [NH3+]C1CCC(NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552193965 923847899 /nfs/dbraw/zinc/84/78/99/923847899.db2.gz HYZPRVBHIIILSL-ZUYNKMSQSA-N 2 0 253.346 -0.392 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552194945 923848165 /nfs/dbraw/zinc/84/81/65/923848165.db2.gz OVGSCNTWGDMJEK-SFTQSGBHSA-N 2 0 267.373 -0.192 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552198705 923853078 /nfs/dbraw/zinc/85/30/78/923853078.db2.gz YEUTXTKKTLCCIO-YRGRVCCFSA-N 2 0 267.373 -0.177 20 0 CBADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552200623 923856798 /nfs/dbraw/zinc/85/67/98/923856798.db2.gz SEEYNLASFBPZOA-MBNYWOFBSA-N 2 0 267.373 -0.177 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552201702 923858191 /nfs/dbraw/zinc/85/81/91/923858191.db2.gz SNVZKNSCNKJFGO-OUCADQQQSA-N 2 0 267.373 -0.225 20 0 CBADRP C[NH+](C)C(C)(C)CNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552201222 923858913 /nfs/dbraw/zinc/85/89/13/923858913.db2.gz YSYLBZNESSICRU-ZWNOBZJWSA-N 2 0 255.362 -0.321 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552201126 923859260 /nfs/dbraw/zinc/85/92/60/923859260.db2.gz RQLLDVWHFHYYRB-SWLSCSKDSA-N 2 0 297.399 -0.551 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552201623 923860432 /nfs/dbraw/zinc/86/04/32/923860432.db2.gz VDTSQRMTYGKHCU-RGCMKSIDSA-N 2 0 279.384 -0.083 20 0 CBADRP O=C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552202131 923861751 /nfs/dbraw/zinc/86/17/51/923861751.db2.gz ADPUNOHZGWEJFM-NRWUCQMLSA-N 2 0 265.357 -0.425 20 0 CBADRP CN(C(=O)[C@]12C[NH2+]C[C@@H]1COC2)C1CC[NH+](C)CC1 ZINC001552202561 923861866 /nfs/dbraw/zinc/86/18/66/923861866.db2.gz JSZOKNQUFMLZGH-RISCZKNCSA-N 2 0 267.373 -0.225 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC[NH2+]1 ZINC001552202740 923862457 /nfs/dbraw/zinc/86/24/57/923862457.db2.gz NVWYWFZKYUOUNT-PRULPYPASA-N 2 0 253.346 -0.521 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552202776 923863539 /nfs/dbraw/zinc/86/35/39/923863539.db2.gz ORMYZWRKOJGASK-SBFPOUOMSA-N 2 0 253.346 -0.582 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)cn1 ZINC001552204190 923864710 /nfs/dbraw/zinc/86/47/10/923864710.db2.gz OHBNIJKUVJNMNP-RISCZKNCSA-N 2 0 293.371 -0.381 20 0 CBADRP O=C([C@@H]1CCC[NH2+]CC1)N1CCO[C@@H]2C[NH2+]C[C@H]21 ZINC001552203592 923865244 /nfs/dbraw/zinc/86/52/44/923865244.db2.gz DSEJUBDKAJWTIV-IJLUTSLNSA-N 2 0 253.346 -0.425 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)cn1 ZINC001552204188 923865389 /nfs/dbraw/zinc/86/53/89/923865389.db2.gz OHBNIJKUVJNMNP-BXUZGUMPSA-N 2 0 293.371 -0.381 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1COC2)C(F)(F)F ZINC001552203649 923866281 /nfs/dbraw/zinc/86/62/81/923866281.db2.gz IBUSZFCRTPTABX-KHQFGBGNSA-N 2 0 281.278 -0.382 20 0 CBADRP [NH3+]CC12CCC(CC1)CN2C(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552203744 923866294 /nfs/dbraw/zinc/86/62/94/923866294.db2.gz GHPMHUHFXIXMCQ-NREAYKGKSA-N 2 0 279.384 -0.048 20 0 CBADRP C[NH+](C)C1CC(CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC001552210903 923867946 /nfs/dbraw/zinc/86/79/46/923867946.db2.gz XFYFRJWTZGKUFO-MOENNCHZSA-N 2 0 292.387 -0.118 20 0 CBADRP CN(C(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[C@H]1CC[N@H+](C)C1 ZINC001552216685 923872683 /nfs/dbraw/zinc/87/26/83/923872683.db2.gz WMNKEEGSLXPIHM-QWRGUYRKSA-N 2 0 278.360 -0.411 20 0 CBADRP [NH3+][C@@H]1COCC[C@@H]1NC(=O)[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552272725 923877942 /nfs/dbraw/zinc/87/79/42/923877942.db2.gz DHBMKZDCTWVMFF-XQHKEYJVSA-N 2 0 267.373 -0.146 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C[C@H]1C[NH3+] ZINC001552274144 923878063 /nfs/dbraw/zinc/87/80/63/923878063.db2.gz HQEQIXNVQNYDJD-GMTAPVOTSA-N 2 0 278.360 -0.521 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@H]2CC[NH2+][C@@H]2C)cnn1C ZINC001552277272 923879212 /nfs/dbraw/zinc/87/92/12/923879212.db2.gz XUCJYUNLOVANPJ-HYNSBDGHSA-N 2 0 291.399 -0.102 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC001552281851 923879433 /nfs/dbraw/zinc/87/94/33/923879433.db2.gz GHCKGRJKGAHPLG-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1C[NH2+]CCOC1)C2 ZINC001552283190 923879463 /nfs/dbraw/zinc/87/94/63/923879463.db2.gz QLISMWHNDSAUEZ-SECBINFHSA-N 2 0 296.396 -0.278 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001552275335 923880154 /nfs/dbraw/zinc/88/01/54/923880154.db2.gz XPOUZWMWHFZFCY-OUAUKWLOSA-N 2 0 276.344 -0.611 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC001552291749 923881725 /nfs/dbraw/zinc/88/17/25/923881725.db2.gz KMWWYUVPJBFOFM-MGPQQGTHSA-N 2 0 295.431 -0.055 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)[C@]12C[NH2+]C[C@H]1COC2 ZINC001552284599 923882030 /nfs/dbraw/zinc/88/20/30/923882030.db2.gz BFOMMKHAIJHMEC-NHCYSSNCSA-N 2 0 289.326 -0.417 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)N2C[C@@H](N)[C@@H]([NH3+])C2)CC1 ZINC001552291463 923882905 /nfs/dbraw/zinc/88/29/05/923882905.db2.gz AHCVMEFQJYKZOF-FRRDWIJNSA-N 2 0 295.431 -0.213 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@]23CC[C@@H]2CC[NH2+]3)CCCO1 ZINC001552337192 923885336 /nfs/dbraw/zinc/88/53/36/923885336.db2.gz FMZAXGKCIHJWDF-YRGRVCCFSA-N 2 0 282.388 -0.112 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+]C[C@@H]2F)CCCO1 ZINC001552338237 923886178 /nfs/dbraw/zinc/88/61/78/923886178.db2.gz ITWFBJWZYXSYJF-GRYCIOLGSA-N 2 0 288.367 -0.164 20 0 CBADRP C[C@@H]1CN(C(=O)N2C[C@H](N)[C@@H]([NH3+])C2)CC[N@@H+](C2CCC2)C1 ZINC001552293860 923886311 /nfs/dbraw/zinc/88/63/11/923886311.db2.gz WKEKQKQSYDNBNM-UBHSHLNASA-N 2 0 295.431 -0.117 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@]23CC[C@H]2CC[NH2+]3)CCCO1 ZINC001552337187 923886649 /nfs/dbraw/zinc/88/66/49/923886649.db2.gz FMZAXGKCIHJWDF-OUCADQQQSA-N 2 0 282.388 -0.112 20 0 CBADRP [NH3+][C@@H]1CC[C@@H](CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC001552341061 923887718 /nfs/dbraw/zinc/88/77/18/923887718.db2.gz RHIOJHBMOHYOLM-MGPQQGTHSA-N 2 0 295.431 -0.197 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC001552341050 923887946 /nfs/dbraw/zinc/88/79/46/923887946.db2.gz RHIOJHBMOHYOLM-BFHYXJOUSA-N 2 0 295.431 -0.197 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH2+]C3)CCN2C1=O ZINC001552377202 923893930 /nfs/dbraw/zinc/89/39/30/923893930.db2.gz ZBPKVWIATWNPAT-SDDRHHMPSA-N 2 0 280.372 -0.854 20 0 CBADRP Cc1c(C(=O)N[C@H]2CCC[NH2+]C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552419351 923895234 /nfs/dbraw/zinc/89/52/34/923895234.db2.gz YXTBDYMLLKZXQP-WDEREUQCSA-N 2 0 278.360 -0.397 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)c1cnnn1C1CC[NH2+]CC1 ZINC001552419399 923895394 /nfs/dbraw/zinc/89/53/94/923895394.db2.gz STAVXBFAWSRWPF-JTQLQIEISA-N 2 0 278.360 -0.316 20 0 CBADRP Cc1c(C(=O)N2CC[NH2+]C[C@@H]2C)nnn1[C@H]1CC[NH2+]C1 ZINC001552419234 923895766 /nfs/dbraw/zinc/89/57/66/923895766.db2.gz LWEVVXUMHBDMFB-ONGXEEELSA-N 2 0 278.360 -0.445 20 0 CBADRP Cc1c(C(=O)NC[C@@H]2CCC[NH2+]C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552419305 923896126 /nfs/dbraw/zinc/89/61/26/923896126.db2.gz XFJHIZQZLPFEND-VXGBXAGGSA-N 2 0 292.387 -0.150 20 0 CBADRP Cc1c(C(=O)NCCC[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552418196 923896650 /nfs/dbraw/zinc/89/66/50/923896650.db2.gz INBQTVNQIYRZFM-VIFPVBQESA-N 2 0 252.322 -0.800 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)C1 ZINC001552418239 923897044 /nfs/dbraw/zinc/89/70/44/923897044.db2.gz JHXSVTUBIIMUCR-WDEREUQCSA-N 2 0 278.360 -0.445 20 0 CBADRP Cc1c(C(=O)NCCC[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552418194 923897181 /nfs/dbraw/zinc/89/71/81/923897181.db2.gz INBQTVNQIYRZFM-SECBINFHSA-N 2 0 252.322 -0.800 20 0 CBADRP Cc1c(C(=O)NCC[C@H]2CC[NH2+]C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552419324 923897330 /nfs/dbraw/zinc/89/73/30/923897330.db2.gz MVMIRIACBPHSRG-VXGBXAGGSA-N 2 0 292.387 -0.150 20 0 CBADRP C[C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001552420327 923898156 /nfs/dbraw/zinc/89/81/56/923898156.db2.gz HSNSOWMAENBCHO-SNVBAGLBSA-N 2 0 278.360 -0.364 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CCO1 ZINC001552420625 923898571 /nfs/dbraw/zinc/89/85/71/923898571.db2.gz QPUAFBZDCLMVON-JBLDHEPKSA-N 2 0 293.371 -0.325 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CCCC[NH2+]C1 ZINC001552422032 923898893 /nfs/dbraw/zinc/89/88/93/923898893.db2.gz XXIXTWDONFQJDJ-QWHCGFSZSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CCO1 ZINC001552420627 923899003 /nfs/dbraw/zinc/89/90/03/923899003.db2.gz QPUAFBZDCLMVON-UMNHJUIQSA-N 2 0 293.371 -0.325 20 0 CBADRP O=C([C@H]1CCCC[NH2+]C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001552426336 923902460 /nfs/dbraw/zinc/90/24/60/923902460.db2.gz WJXUKTUCVYEEDO-UONOGXRCSA-N 2 0 280.416 -0.118 20 0 CBADRP Cc1c(C(=O)N2CC[C@H]([NH+](C)C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552436836 923903264 /nfs/dbraw/zinc/90/32/64/923903264.db2.gz LGPCRFIZBSBULR-NEPJUHHUSA-N 2 0 292.387 -0.103 20 0 CBADRP Cc1c(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)nnn1[C@H]1CC[NH2+]C1 ZINC001552436760 923903275 /nfs/dbraw/zinc/90/32/75/923903275.db2.gz HDJJTBGWWFONHJ-ADEWGFFLSA-N 2 0 292.387 -0.151 20 0 CBADRP Cc1c(C(=O)NC[C@@H](C)C[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552436860 923903672 /nfs/dbraw/zinc/90/36/72/923903672.db2.gz SYWLGKPQWFACDG-WCBMZHEXSA-N 2 0 266.349 -0.554 20 0 CBADRP Cc1c(C(=O)N[C@@H](C)C[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552436763 923903771 /nfs/dbraw/zinc/90/37/71/923903771.db2.gz RLXYELWIOZRPMT-IONNQARKSA-N 2 0 252.322 -0.802 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CCO1 ZINC001552436597 923904451 /nfs/dbraw/zinc/90/44/51/923904451.db2.gz RBAIISSWFFWRAK-VHSXEESVSA-N 2 0 279.344 -0.714 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001552436680 923904502 /nfs/dbraw/zinc/90/45/02/923904502.db2.gz DQOHZBOHTKIOFR-ZYHUDNBSSA-N 2 0 292.387 -0.070 20 0 CBADRP Cc1c(C(=O)NC[C@H]2CC[N@@H+](C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552434496 923904577 /nfs/dbraw/zinc/90/45/77/923904577.db2.gz SYNCWHRYXSOPJG-NEPJUHHUSA-N 2 0 292.387 -0.198 20 0 CBADRP Cc1c(C(=O)NC[C@@H](C)[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552436620 923905223 /nfs/dbraw/zinc/90/52/23/923905223.db2.gz BFHWMVZIMHHFTN-APPZFPTMSA-N 2 0 252.322 -0.802 20 0 CBADRP C[NH2+]CCN(C)C(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C ZINC001552436401 923905481 /nfs/dbraw/zinc/90/54/81/923905481.db2.gz JZWLINSPVCSACO-SNVBAGLBSA-N 2 0 266.349 -0.588 20 0 CBADRP Cc1c(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)nnn1[C@H]1CC[NH2+]C1 ZINC001552437412 923906347 /nfs/dbraw/zinc/90/63/47/923906347.db2.gz CZDXAJCPZKOZHV-WOPDTQHZSA-N 2 0 290.371 -0.445 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C ZINC001552437347 923906818 /nfs/dbraw/zinc/90/68/18/923906818.db2.gz CDOVUVLVPDVJFX-UWVGGRQHSA-N 2 0 266.349 -0.412 20 0 CBADRP Cc1c(C(=O)N(C)CCC[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552437840 923906904 /nfs/dbraw/zinc/90/69/04/923906904.db2.gz FACQMXPQDACSRV-JTQLQIEISA-N 2 0 266.349 -0.458 20 0 CBADRP Cc1c(C(=O)NC[C@@H]2C[C@@H](F)C[NH2+]2)nnn1[C@H]1CC[NH2+]C1 ZINC001552438348 923907834 /nfs/dbraw/zinc/90/78/34/923907834.db2.gz MTFOJRJKLNMPCC-VWYCJHECSA-N 2 0 296.350 -0.449 20 0 CBADRP Cc1c(C(=O)NC[C@@H]2[NH2+]CC2(C)C)nnn1[C@@H]1CC[NH2+]C1 ZINC001552437993 923907926 /nfs/dbraw/zinc/90/79/26/923907926.db2.gz VJZABMQARDVWTP-MNOVXSKESA-N 2 0 292.387 -0.151 20 0 CBADRP Cc1c(C(=O)N[C@]2(C)CC[NH2+]C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552439990 923909244 /nfs/dbraw/zinc/90/92/44/923909244.db2.gz JTWPONJEVBHWES-ZWNOBZJWSA-N 2 0 278.360 -0.397 20 0 CBADRP Cc1c(C(=O)NC(C)(C)CC[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552441317 923910780 /nfs/dbraw/zinc/91/07/80/923910780.db2.gz JFIYKNWBUYHLKJ-JTQLQIEISA-N 2 0 280.376 -0.022 20 0 CBADRP [NH3+][C@@H]1COCCN(C(=O)[C@@]23CCC[C@@H]2[NH2+]CC3)C1 ZINC001552763558 923915121 /nfs/dbraw/zinc/91/51/21/923915121.db2.gz LFKJRSHCOPMSRV-GMXVVIOVSA-N 2 0 253.346 -0.295 20 0 CBADRP CC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C[C@@H]21 ZINC001552719714 923915667 /nfs/dbraw/zinc/91/56/67/923915667.db2.gz YZNHDCBQTHMLKR-HZSPNIEDSA-N 2 0 295.383 -0.561 20 0 CBADRP C[C@@H](CNC(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001552770736 923917712 /nfs/dbraw/zinc/91/77/12/923917712.db2.gz CZBQXFKLQXXYOL-KBPBESRZSA-N 2 0 297.447 -0.032 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@]23CCC[C@@H]2[NH2+]CC3)CCO1 ZINC001552837404 923919386 /nfs/dbraw/zinc/91/93/86/923919386.db2.gz YDFXDJOOAVBBHK-NTZNESFSSA-N 2 0 253.346 -0.295 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001552840684 923919685 /nfs/dbraw/zinc/91/96/85/923919685.db2.gz AESCTCUROAMYQO-DMDPSCGWSA-N 2 0 253.346 -0.377 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001552819775 923920716 /nfs/dbraw/zinc/92/07/16/923920716.db2.gz TUPGJESPABWGEF-TZMCWYRMSA-N 2 0 266.389 -0.460 20 0 CBADRP O=C(CNC(=O)[C@@]12CCC[C@@H]1[NH2+]CC2)N1CC[NH2+]CC1 ZINC001552819568 923920727 /nfs/dbraw/zinc/92/07/27/923920727.db2.gz LKHANLCGRWFFKA-SMDDNHRTSA-N 2 0 280.372 -0.933 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC001552842256 923921374 /nfs/dbraw/zinc/92/13/74/923921374.db2.gz FIKRWISEWMMJDE-SMDDNHRTSA-N 2 0 267.373 -0.169 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1NC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C ZINC001552844624 923922883 /nfs/dbraw/zinc/92/28/83/923922883.db2.gz AMFSXPSEFQJOGT-WOPDTQHZSA-N 2 0 292.387 -0.009 20 0 CBADRP [NH3+][C@@H]1COCC[C@@H]1NC(=O)[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001552854515 923923778 /nfs/dbraw/zinc/92/37/78/923923778.db2.gz PTGZFBJCBXRYPB-MPPDQPJWSA-N 2 0 253.346 -0.249 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001552954332 923927170 /nfs/dbraw/zinc/92/71/70/923927170.db2.gz SMMJBKSRCBJMSF-JSGCOSHPSA-N 2 0 281.404 -0.525 20 0 CBADRP C[NH+]1CCC2(CCN(C(=O)N3C[C@H](N)[C@@H]([NH3+])C3)CC2)CC1 ZINC001552960573 923927973 /nfs/dbraw/zinc/92/79/73/923927973.db2.gz OTYWIRRYRBQPER-STQMWFEESA-N 2 0 295.431 -0.116 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001552959412 923928030 /nfs/dbraw/zinc/92/80/30/923928030.db2.gz WOFRIWGMBKDMJH-IHRRRGAJSA-N 2 0 295.431 -0.232 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC001552973603 923929622 /nfs/dbraw/zinc/92/96/22/923929622.db2.gz RDKPTSIENXTOQC-ZLMOABSSSA-N 3 0 278.400 -0.239 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2C[C@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC001552981274 923930020 /nfs/dbraw/zinc/93/00/20/923930020.db2.gz RKQXGJIWKVYYNX-JSGCOSHPSA-N 2 0 280.416 -0.358 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1NCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC001552973516 923930757 /nfs/dbraw/zinc/93/07/57/923930757.db2.gz MKIPMQOPXSHGBY-WZRBSPASSA-N 2 0 264.377 -0.100 20 0 CBADRP C[N@@H+]1CCn2ncc(CN[C@@H]3C[NH2+]CCOC3)c2C1 ZINC001553026357 923935105 /nfs/dbraw/zinc/93/51/05/923935105.db2.gz YXZQQRQEGDBMIP-GFCCVEGCSA-N 2 0 265.361 -0.594 20 0 CBADRP CC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C[C@@H]21 ZINC001553013783 923935454 /nfs/dbraw/zinc/93/54/54/923935454.db2.gz DRQUOJOXOIGRFV-HZSPNIEDSA-N 2 0 295.383 -0.704 20 0 CBADRP C[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC(C(N)=O)C1 ZINC001553304209 923948053 /nfs/dbraw/zinc/94/80/53/923948053.db2.gz BNEGRQIUZZEHMC-CXHDDBMJSA-N 2 0 267.373 -0.049 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C[C@H]3CCCC[NH2+]C3)CCN2C1=O ZINC001553304958 923948136 /nfs/dbraw/zinc/94/81/36/923948136.db2.gz QHHBLJPCFDTVBN-YNEHKIRRSA-N 2 0 266.389 -0.380 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CN(C)CC3)C1 ZINC001553343134 923949493 /nfs/dbraw/zinc/94/94/93/923949493.db2.gz HZERHIOAEOIXTF-SQWLQELKSA-N 3 0 294.443 -0.014 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(C)CC3)C1 ZINC001553343129 923949708 /nfs/dbraw/zinc/94/97/08/923949708.db2.gz HZERHIOAEOIXTF-LZWOXQAQSA-N 3 0 294.443 -0.014 20 0 CBADRP O=C(NC1CC[NH2+]CC1)[C@@]12C[NH2+]C[C@H]1CCOC2 ZINC001553342403 923949854 /nfs/dbraw/zinc/94/98/54/923949854.db2.gz DSZYIRLCFRRYLI-ZWNOBZJWSA-N 2 0 253.346 -0.519 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CN(C)CC3)C1 ZINC001553343131 923949887 /nfs/dbraw/zinc/94/98/87/923949887.db2.gz HZERHIOAEOIXTF-OFQRWUPVSA-N 3 0 294.443 -0.014 20 0 CBADRP [NH3+][C@@H]1CN(C[C@H]2CCCC[NH2+]C2)C[C@H]1n1ccnn1 ZINC001553305406 923950066 /nfs/dbraw/zinc/95/00/66/923950066.db2.gz UHZAKMMOLBUZJP-YNEHKIRRSA-N 2 0 264.377 -0.148 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@]12C[NH2+]C[C@@H]1COCC2 ZINC001553348912 923952267 /nfs/dbraw/zinc/95/22/67/923952267.db2.gz CFVPJCIECSBXJZ-NQBHXWOUSA-N 2 0 253.346 -0.519 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@]12C[NH2+]C[C@@H]1COCC2 ZINC001553348914 923952806 /nfs/dbraw/zinc/95/28/06/923952806.db2.gz CFVPJCIECSBXJZ-WZRBSPASSA-N 2 0 253.346 -0.519 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCOC3)C1 ZINC001553349097 923952922 /nfs/dbraw/zinc/95/29/22/923952922.db2.gz AZGZPERIAWNWCX-OBJOEFQTSA-N 2 0 267.373 -0.190 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[C@H](C(=O)NCCN3CC[NH2+]CC3)C[C@@H]12 ZINC001553351900 923953679 /nfs/dbraw/zinc/95/36/79/923953679.db2.gz PMWDKODGJAOREW-WUHRBBMRSA-N 2 0 266.389 -0.619 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NC3CCC([NH3+])CC3)C[NH2+]C[C@H]2C1 ZINC001553351758 923953689 /nfs/dbraw/zinc/95/36/89/923953689.db2.gz BZHYACLZYCZVPD-CLTVBZQCSA-N 3 0 280.416 -0.086 20 0 CBADRP CN1CC[C@@]2(C(=O)N3CCC(C[NH3+])CC3)C[NH2+]C[C@@H]2C1 ZINC001553348811 923954022 /nfs/dbraw/zinc/95/40/22/923954022.db2.gz KIAVUCSSOPHFLX-UKRRQHHQSA-N 2 0 280.416 -0.275 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)[C@@]12C[NH2+]C[C@H]1CCOC2 ZINC001553348772 923954243 /nfs/dbraw/zinc/95/42/43/923954243.db2.gz JNEJINYFMGERSY-TZMCWYRMSA-N 2 0 267.373 -0.272 20 0 CBADRP C[N@@H+]1CC[C@@]2(C(=O)NC3CCC([NH3+])CC3)C[NH2+]C[C@H]2C1 ZINC001553351761 923954372 /nfs/dbraw/zinc/95/43/72/923954372.db2.gz BZHYACLZYCZVPD-LFUGVXIPSA-N 3 0 280.416 -0.086 20 0 CBADRP [NH3+]C[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2COCC3)C1 ZINC001553354581 923955439 /nfs/dbraw/zinc/95/54/39/923955439.db2.gz MPAVQKJUJMCPHE-GVXVVHGQSA-N 2 0 253.346 -0.580 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CN(C)CC3)CC1 ZINC001553355664 923955773 /nfs/dbraw/zinc/95/57/73/923955773.db2.gz AKKJUYYCYUASSI-HOCLYGCPSA-N 2 0 294.443 -0.014 20 0 CBADRP O=C(CNC(=O)[C@@]12CC[NH2+][C@@H]1CCCC2)N1CC[NH2+]CC1 ZINC001553352114 923956049 /nfs/dbraw/zinc/95/60/49/923956049.db2.gz NTZLDWCIVRLRJY-DOMZBBRYSA-N 2 0 294.399 -0.543 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2COCC3)CC[NH2+]1 ZINC001553355255 923956278 /nfs/dbraw/zinc/95/62/78/923956278.db2.gz MXYUSDCFBIVLTR-NQBHXWOUSA-N 2 0 253.346 -0.567 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@]12C[NH2+]C[C@@H]1CCOC2 ZINC001553354482 923957118 /nfs/dbraw/zinc/95/71/18/923957118.db2.gz LNJQEXHYZQBJOE-GVXVVHGQSA-N 2 0 253.346 -0.519 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@]12C[NH2+]C[C@@H]1COCC2 ZINC001553352899 923957303 /nfs/dbraw/zinc/95/73/03/923957303.db2.gz KFYJREVISPDASD-SCRDCRAPSA-N 2 0 267.373 -0.272 20 0 CBADRP CN1CC[C@]2(C(=O)N3CC[C@H](C[NH3+])C3)C[NH2+]C[C@H]2C1 ZINC001553355920 923957317 /nfs/dbraw/zinc/95/73/17/923957317.db2.gz PWDZEZMZEDJWND-DYEKYZERSA-N 2 0 266.389 -0.665 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NCC[C@@H]3CC[NH2+]C3)C[NH2+]C[C@@H]2C1 ZINC001553352164 923957981 /nfs/dbraw/zinc/95/79/81/923957981.db2.gz GZAKOWSZSLAUJO-GUTXKFCHSA-N 3 0 280.416 -0.357 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[NH2+]C[C@H]2C1 ZINC001553354470 923958083 /nfs/dbraw/zinc/95/80/83/923958083.db2.gz PSQICVDTOMMYKP-RBZWTCKCSA-N 3 0 292.427 -0.073 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CCOC3)CCO1 ZINC001553358365 923960373 /nfs/dbraw/zinc/96/03/73/923960373.db2.gz GYAKVZVJTTWEMM-KZVDOYCCSA-N 2 0 283.372 -0.813 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCOC3)C[C@H](C)[NH2+]1 ZINC001553356458 923960616 /nfs/dbraw/zinc/96/06/16/923960616.db2.gz FYQQBTBLDZIWBU-OPDFLTKYSA-N 2 0 267.373 -0.179 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COCC3)C1 ZINC001553357031 923960789 /nfs/dbraw/zinc/96/07/89/923960789.db2.gz VBGWMXRBDCMPLR-BZPMIXESSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CN(C)CC3)CCO1 ZINC001553358640 923961398 /nfs/dbraw/zinc/96/13/98/923961398.db2.gz JDWZGFPIOVSXFQ-ABHRYQDASA-N 2 0 296.415 -0.898 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CCOC3)CC1 ZINC001553358259 923962152 /nfs/dbraw/zinc/96/21/52/923962152.db2.gz NPVBAMJFRSWTQH-BXUZGUMPSA-N 2 0 267.373 -0.177 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@H]1COCC2 ZINC001553357960 923962476 /nfs/dbraw/zinc/96/24/76/923962476.db2.gz OBRSXRKGCSWMPD-MNXVOIDGSA-N 2 0 267.373 -0.144 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@@H]3C[C@H]([NH3+])[C@H]3C2)[C@H](C[NH3+])C1 ZINC001553360195 923966459 /nfs/dbraw/zinc/96/64/59/923966459.db2.gz QTNHGZKORVGLNM-KVSVUVNWSA-N 2 0 266.389 -0.539 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553400779 923970839 /nfs/dbraw/zinc/97/08/39/923970839.db2.gz AVJOFLBUQSJKFM-FIQHERPVSA-N 2 0 253.346 -0.426 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553401457 923973060 /nfs/dbraw/zinc/97/30/60/923973060.db2.gz HLQUAWLHRLTCHC-FIQHERPVSA-N 2 0 253.346 -0.378 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C[C@H]1C[NH3+] ZINC001553404020 923973669 /nfs/dbraw/zinc/97/36/69/923973669.db2.gz BAVFYFHWUZSXAL-BNDIWNMDSA-N 2 0 267.373 -0.051 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)N[C@@H]3CCC[C@H](O)C3)C[NH2+]C[C@@H]2C1 ZINC001553403058 923974167 /nfs/dbraw/zinc/97/41/67/923974167.db2.gz YOXZYMMDCOPWTD-CXTNEJHOSA-N 2 0 281.400 -0.053 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553404016 923974298 /nfs/dbraw/zinc/97/42/98/923974298.db2.gz AWBOOYAVFIRNGJ-MFDAYCCISA-N 2 0 253.346 -0.252 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553404018 923974643 /nfs/dbraw/zinc/97/46/43/923974643.db2.gz AWBOOYAVFIRNGJ-QGKZMRNZSA-N 2 0 253.346 -0.252 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC[NH2+]1 ZINC001553404965 923976700 /nfs/dbraw/zinc/97/67/00/923976700.db2.gz CBNJIYHSTACIED-LDMBFOFVSA-N 2 0 253.346 -0.238 20 0 CBADRP CC(C)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC[NH2+]1 ZINC001553405804 923977351 /nfs/dbraw/zinc/97/73/51/923977351.db2.gz DRAOVYSLRXXMFS-CYDGBPFRSA-N 2 0 267.373 -0.038 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)C(F)(F)F ZINC001553404887 923978100 /nfs/dbraw/zinc/97/81/00/923978100.db2.gz BKUOCBFZVKYINS-XGEHTFHBSA-N 2 0 281.278 -0.098 20 0 CBADRP CC(C)[C@@H]1CN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC[NH2+]1 ZINC001553405805 923978374 /nfs/dbraw/zinc/97/83/74/923978374.db2.gz DRAOVYSLRXXMFS-MROQNXINSA-N 2 0 267.373 -0.038 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)n1 ZINC001553405330 923978453 /nfs/dbraw/zinc/97/84/53/923978453.db2.gz CCRROUAQHVHBQA-SDDRHHMPSA-N 2 0 293.371 -0.097 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553407555 923980659 /nfs/dbraw/zinc/98/06/59/923980659.db2.gz HINUGUBYRSXJQY-RDBSUJKOSA-N 2 0 297.399 -0.267 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553407551 923980952 /nfs/dbraw/zinc/98/09/52/923980952.db2.gz HINUGUBYRSXJQY-HZSPNIEDSA-N 2 0 297.399 -0.267 20 0 CBADRP C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553408986 923984458 /nfs/dbraw/zinc/98/44/58/923984458.db2.gz KKFXAKLGRLOQAQ-SDDRHHMPSA-N 2 0 253.346 -0.330 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1CNC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553416789 923989377 /nfs/dbraw/zinc/98/93/77/923989377.db2.gz CNMFTMLIEDKCQG-NAWOPXAZSA-N 2 0 267.373 -0.132 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553415052 923989706 /nfs/dbraw/zinc/98/97/06/923989706.db2.gz YBRCRKRIOSGWMN-HZSPNIEDSA-N 2 0 297.399 -0.314 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)C[C@@H]12 ZINC001553414512 923991343 /nfs/dbraw/zinc/99/13/43/923991343.db2.gz XLLAPAUFWSQASZ-DZDPUUJWSA-N 2 0 265.357 -0.299 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553425331 923992406 /nfs/dbraw/zinc/99/24/06/923992406.db2.gz RXBGMIXVTVHVKS-HHHUOAJASA-N 2 0 253.346 -0.238 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)cn1 ZINC001553421495 923993337 /nfs/dbraw/zinc/99/33/37/923993337.db2.gz JUYRISGLDPOUDZ-AVGNSLFASA-N 2 0 293.371 -0.097 20 0 CBADRP Nc1cc[nH+]c(CNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)c1 ZINC001553428446 923995596 /nfs/dbraw/zinc/99/55/96/923995596.db2.gz HYYAZPKWMNIHJJ-SDDRHHMPSA-N 2 0 262.313 -0.201 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553428156 923996446 /nfs/dbraw/zinc/99/64/46/923996446.db2.gz FYGXEIZDCNEAPE-NAKRPEOUSA-N 2 0 289.326 -0.133 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC[C@H]1C[NH3+] ZINC001553433497 923998287 /nfs/dbraw/zinc/99/82/87/923998287.db2.gz SLICFUFPYGLENQ-FHUSYTEZSA-N 2 0 267.373 -0.051 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001553448804 924000813 /nfs/dbraw/zinc/00/08/13/924000813.db2.gz KUVOVNYRINKLSJ-GUTXKFCHSA-N 2 0 295.431 -0.327 20 0 CBADRP C[C@H](C[NH3+])NC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001553441903 924003121 /nfs/dbraw/zinc/00/31/21/924003121.db2.gz USEPSMDQCYTTPL-LLVKDONJSA-N 2 0 270.377 -0.112 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[C@@]3([NH3+])C2)C1 ZINC001553459445 924005833 /nfs/dbraw/zinc/00/58/33/924005833.db2.gz VPBWDKGYHVONMR-SGMGOOAPSA-N 2 0 282.388 -0.160 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC001553488266 924006997 /nfs/dbraw/zinc/00/69/97/924006997.db2.gz BLLOGBVNUFMVKT-TZMCWYRMSA-N 2 0 281.404 -0.667 20 0 CBADRP C[C@H](C[NH3+])NC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553493997 924009010 /nfs/dbraw/zinc/00/90/10/924009010.db2.gz FALWUENSNGGXRQ-ZJUUUORDSA-N 2 0 256.350 -0.517 20 0 CBADRP [NH3+][C@@]12CC[C@H]1CN(C(=O)NCCN1CC[NH2+]CC1)C2 ZINC001553491523 924009223 /nfs/dbraw/zinc/00/92/23/924009223.db2.gz LNLFUMZBOQQLDE-WCQYABFASA-N 2 0 267.377 -0.976 20 0 CBADRP C[C@H](C[NH3+])NC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553493986 924009239 /nfs/dbraw/zinc/00/92/39/924009239.db2.gz FALWUENSNGGXRQ-NXEZZACHSA-N 2 0 256.350 -0.517 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001553489842 924009914 /nfs/dbraw/zinc/00/99/14/924009914.db2.gz YASHAIXILDRKSA-WOPDTQHZSA-N 2 0 294.403 -0.194 20 0 CBADRP [NH3+]CCCNC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553493429 924010097 /nfs/dbraw/zinc/01/00/97/924010097.db2.gz BLOYTQYPLZWLDK-SNVBAGLBSA-N 2 0 256.350 -0.516 20 0 CBADRP C[C@H](CNC(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1)[NH+](C)C ZINC001553492585 924011121 /nfs/dbraw/zinc/01/11/21/924011121.db2.gz QQNFGBGXYRSYCA-UTUOFQBUSA-N 2 0 294.403 -0.194 20 0 CBADRP [NH3+]C[C@H](NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)C1CC1 ZINC001553494646 924011164 /nfs/dbraw/zinc/01/11/64/924011164.db2.gz CINZDDWPDGQSQR-IHRRRGAJSA-N 2 0 296.415 -0.036 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N1CC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC001553489350 924011260 /nfs/dbraw/zinc/01/12/60/924011260.db2.gz DPSIGHBOYJPCBP-KBPBESRZSA-N 2 0 295.431 -0.325 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N1CC[C@H]2CC[NH2+]C[C@@H]2C1 ZINC001553491962 924011272 /nfs/dbraw/zinc/01/12/72/924011272.db2.gz NFLGYIZSAROVGJ-ZIAGYGMSSA-N 2 0 295.431 -0.467 20 0 CBADRP CC(C)([NH3+])CNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553497104 924012230 /nfs/dbraw/zinc/01/22/30/924012230.db2.gz OPNFCYCPPOTEBD-SNVBAGLBSA-N 2 0 270.377 -0.209 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553499320 924012242 /nfs/dbraw/zinc/01/22/42/924012242.db2.gz ARHHYAKRLKFMNE-QWRGUYRKSA-N 2 0 270.377 -0.127 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553499413 924012371 /nfs/dbraw/zinc/01/23/71/924012371.db2.gz YSPUAIFOVIPWPV-MNOVXSKESA-N 2 0 270.377 -0.209 20 0 CBADRP C[C@H](C[NH3+])NC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553497329 924012562 /nfs/dbraw/zinc/01/25/62/924012562.db2.gz OZPDDRCLLXJPHE-ZJUUUORDSA-N 2 0 256.350 -0.599 20 0 CBADRP [NH3+][C@H](CNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2)C1CC1 ZINC001553499062 924012754 /nfs/dbraw/zinc/01/27/54/924012754.db2.gz XNURAGKUACUGJI-VXGBXAGGSA-N 2 0 282.388 -0.209 20 0 CBADRP O=C(NCC1C[NH2+]C1)N1CC[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001553497097 924013381 /nfs/dbraw/zinc/01/33/81/924013381.db2.gz ONJQJYFNADSUHH-NWDGAFQWSA-N 2 0 252.362 -0.153 20 0 CBADRP CC(C)([NH3+])CNC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553496418 924013577 /nfs/dbraw/zinc/01/35/77/924013577.db2.gz LHXOMUVBKDTOFL-SNVBAGLBSA-N 2 0 270.377 -0.127 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)N[C@H]3CCC[NH2+]C3)C[C@@H]2[NH3+])c1 ZINC001553497431 924013952 /nfs/dbraw/zinc/01/39/52/924013952.db2.gz PTCDIPFVHYACFX-TUAOUCFPSA-N 2 0 292.387 -0.392 20 0 CBADRP [NH3+][C@]12CC[C@H]1CN(C(=O)NC[C@H]1C[NH2+]CCO1)C2 ZINC001553499983 924014535 /nfs/dbraw/zinc/01/45/35/924014535.db2.gz AFDWUYIWLYCLGU-UMNHJUIQSA-N 2 0 254.334 -0.893 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001553496688 924014727 /nfs/dbraw/zinc/01/47/27/924014727.db2.gz MODAKECWTQDDSM-FPMFFAJLSA-N 3 0 295.431 -0.056 20 0 CBADRP C[NH2+][C@@H](C)CNC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553503354 924016158 /nfs/dbraw/zinc/01/61/58/924016158.db2.gz PCYVUSKZXJQESK-QWRGUYRKSA-N 2 0 270.377 -0.338 20 0 CBADRP C[C@H]([NH3+])CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553502677 924016366 /nfs/dbraw/zinc/01/63/66/924016366.db2.gz KSXHCGAKJLMWJG-QJPTWQEYSA-N 2 0 270.377 -0.426 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC001553502032 924017600 /nfs/dbraw/zinc/01/76/00/924017600.db2.gz JJEBIGFWYKANAL-RWMBFGLXSA-N 2 0 282.388 -0.242 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553505280 924017771 /nfs/dbraw/zinc/01/77/71/924017771.db2.gz LSSZOFBQDNUNJW-WDEREUQCSA-N 2 0 268.361 -0.584 20 0 CBADRP C[C@H]([NH3+])CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553502679 924017807 /nfs/dbraw/zinc/01/78/07/924017807.db2.gz KSXHCGAKJLMWJG-SDDRHHMPSA-N 2 0 270.377 -0.426 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553515634 924018892 /nfs/dbraw/zinc/01/88/92/924018892.db2.gz NTLFZCOXQPIVES-NEPJUHHUSA-N 2 0 298.387 -0.957 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)CC12CCC2 ZINC001553512255 924019074 /nfs/dbraw/zinc/01/90/74/924019074.db2.gz DOGDQFNODKPPAU-GHMZBOCLSA-N 2 0 268.361 -0.502 20 0 CBADRP [NH3+]C1CC(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC001553513009 924019326 /nfs/dbraw/zinc/01/93/26/924019326.db2.gz KTQXBTRUCFIQBM-PQAZSJQKSA-N 2 0 296.415 -0.036 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553516117 924019688 /nfs/dbraw/zinc/01/96/88/924019688.db2.gz ZAGJWHMBOCDDBW-AVGNSLFASA-N 2 0 284.404 -0.036 20 0 CBADRP C[C@@H]([NH3+])CCNC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553511532 924021110 /nfs/dbraw/zinc/02/11/10/924021110.db2.gz DIOYYVORIDCREX-MNOVXSKESA-N 2 0 270.377 -0.127 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553519425 924022321 /nfs/dbraw/zinc/02/23/21/924022321.db2.gz QTKKQEHRKXAKQQ-SRVKXCTJSA-N 2 0 282.388 -0.114 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001553517620 924022727 /nfs/dbraw/zinc/02/27/27/924022727.db2.gz MNYXINAEAVJBAU-BJDJZHNGSA-N 2 0 292.387 -0.393 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)N1C[C@H]2CC[C@]2([NH3+])C1 ZINC001553527093 924025052 /nfs/dbraw/zinc/02/50/52/924025052.db2.gz JHIDYDMUPNOKGV-UZWSLXQKSA-N 2 0 252.362 -0.025 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001553534233 924025623 /nfs/dbraw/zinc/02/56/23/924025623.db2.gz WPDQKNUPCDEYTR-RHYQMDGZSA-N 2 0 292.387 -0.536 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553527894 924027132 /nfs/dbraw/zinc/02/71/32/924027132.db2.gz KNBDHHODHMHZAY-AGIUHOORSA-N 2 0 296.415 -0.090 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2C[NH2+]C[C@@H]2F)CC12CCC2 ZINC001553545397 924028705 /nfs/dbraw/zinc/02/87/05/924028705.db2.gz SHNJNKMKLIMODP-IVZWLZJFSA-N 2 0 256.325 -0.181 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553543062 924028733 /nfs/dbraw/zinc/02/87/33/924028733.db2.gz KKRISOVXCSKNOE-AXFHLTTASA-N 2 0 286.351 -0.636 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001553545242 924028797 /nfs/dbraw/zinc/02/87/97/924028797.db2.gz RTCLGUYGQCHISF-MMWGEVLESA-N 2 0 256.325 -0.168 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)NC3CC([NH3+])C3)C2)CC1 ZINC001553556839 924030172 /nfs/dbraw/zinc/03/01/72/924030172.db2.gz OGJDJNUKCNWXSM-WXRRBKDZSA-N 2 0 281.404 -0.493 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCC2)C1 ZINC000337661693 214204420 /nfs/dbraw/zinc/20/44/20/214204420.db2.gz QVEFGMHULKOUGE-GFCCVEGCSA-N 2 0 270.377 -0.288 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000376650091 230257577 /nfs/dbraw/zinc/25/75/77/230257577.db2.gz BTHMZXBSOPMGRE-QJPTWQEYSA-N 2 0 255.362 -0.443 20 0 CBADRP C[NH2+]CC(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000366349009 290639016 /nfs/dbraw/zinc/63/90/16/290639016.db2.gz UFVXZHUMBWSKAS-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CCCC1 ZINC000125654493 187195170 /nfs/dbraw/zinc/19/51/70/187195170.db2.gz LYCOMCVEGBRJMQ-MNOVXSKESA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000493945263 230340706 /nfs/dbraw/zinc/34/07/06/230340706.db2.gz PJAVIPWYEBUYMM-SRVKXCTJSA-N 2 0 284.404 -0.327 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000419419099 290645140 /nfs/dbraw/zinc/64/51/40/290645140.db2.gz YWGPVUKGLGUZLE-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000354722124 282183372 /nfs/dbraw/zinc/18/33/72/282183372.db2.gz WTCBQUAZMPTNHY-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000419413158 290649654 /nfs/dbraw/zinc/64/96/54/290649654.db2.gz CZUIEBXYMLQNAO-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP COC[C@H]([NH3+])C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000353801203 293116947 /nfs/dbraw/zinc/11/69/47/293116947.db2.gz ZZUIHBFDLKWLHD-UTUOFQBUSA-N 2 0 273.377 -0.424 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCC[NH+](C)C ZINC000126074681 187215480 /nfs/dbraw/zinc/21/54/80/187215480.db2.gz CWIDJGQDANRELZ-NSHDSACASA-N 2 0 258.366 -0.846 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000424169021 282255183 /nfs/dbraw/zinc/25/51/83/282255183.db2.gz GPOXQEGLLJITAF-NWDGAFQWSA-N 2 0 255.362 -0.083 20 0 CBADRP CNS(=O)(=O)CCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351498364 219106271 /nfs/dbraw/zinc/10/62/71/219106271.db2.gz VPDXEWUFPDXSGL-AXFHLTTASA-N 2 0 261.391 -0.405 20 0 CBADRP CN(C[C@@H](O)C[N@H+](C)C1CC1)C1CC[NH+](CCO)CC1 ZINC000351494274 219106349 /nfs/dbraw/zinc/10/63/49/219106349.db2.gz XVZIPEUWPWWTOJ-HNNXBMFYSA-N 2 0 285.432 -0.170 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351515925 219110047 /nfs/dbraw/zinc/11/00/47/219110047.db2.gz DOPWLZDGDZBFGH-FRRDWIJNSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351515924 219111534 /nfs/dbraw/zinc/11/15/34/219111534.db2.gz DOPWLZDGDZBFGH-AGIUHOORSA-N 2 0 294.399 -0.450 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCC[NH+]1CCCCC1 ZINC000351518587 219112086 /nfs/dbraw/zinc/11/20/86/219112086.db2.gz CQOODFGBHQTDDV-ZDUSSCGKSA-N 2 0 296.415 -0.153 20 0 CBADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351516668 219113287 /nfs/dbraw/zinc/11/32/87/219113287.db2.gz HEECTOOWBOEZDJ-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP [NH3+]C[C@@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000351530590 219115707 /nfs/dbraw/zinc/11/57/07/219115707.db2.gz BKNJPVPODXJCGA-CHWSQXEVSA-N 2 0 296.415 -0.122 20 0 CBADRP [NH3+]C1(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCCCC1 ZINC000351526932 219115882 /nfs/dbraw/zinc/11/58/82/219115882.db2.gz YAZGSKOZCAPDRB-LLVKDONJSA-N 2 0 282.388 -0.368 20 0 CBADRP C[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000351532361 219117306 /nfs/dbraw/zinc/11/73/06/219117306.db2.gz GJOYEDRBTFSWOQ-CHWSQXEVSA-N 2 0 296.415 -0.297 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC[NH+]1CCCCC1 ZINC000351537560 219119172 /nfs/dbraw/zinc/11/91/72/219119172.db2.gz PVXFOXMHESCNJV-LBPRGKRZSA-N 2 0 282.388 -0.543 20 0 CBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351539741 219119711 /nfs/dbraw/zinc/11/97/11/219119711.db2.gz VDXAYUJKPJTRLJ-NWDGAFQWSA-N 2 0 284.404 -0.314 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC1CC[NH+](C2CC2)CC1 ZINC000351544729 219121479 /nfs/dbraw/zinc/12/14/79/219121479.db2.gz VMBVGJMLVCKBML-CYBMUJFWSA-N 2 0 294.399 -0.402 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000351556169 219125066 /nfs/dbraw/zinc/12/50/66/219125066.db2.gz DPWKUVBBONUNJW-AAEUAGOBSA-N 2 0 294.399 -0.545 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351558010 219125148 /nfs/dbraw/zinc/12/51/48/219125148.db2.gz RFLSHULCVOGXRE-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000351556171 219125171 /nfs/dbraw/zinc/12/51/71/219125171.db2.gz DPWKUVBBONUNJW-DGCLKSJQSA-N 2 0 294.399 -0.545 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000351556395 219125292 /nfs/dbraw/zinc/12/52/92/219125292.db2.gz NZOLKQFZOQUPAO-MDZLAQPJSA-N 2 0 294.399 -0.404 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000419431648 290709420 /nfs/dbraw/zinc/70/94/20/290709420.db2.gz XMQCQOMMTOWXHV-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH+](CC)CCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351570205 219130110 /nfs/dbraw/zinc/13/01/10/219130110.db2.gz NLFOYTCZUVISQG-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CC(C)C[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000351586922 219134923 /nfs/dbraw/zinc/13/49/23/219134923.db2.gz ZUHMKRUIIHSPQE-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351591689 219137055 /nfs/dbraw/zinc/13/70/55/219137055.db2.gz GGKHTDLMYFTPKX-TZMCWYRMSA-N 2 0 271.405 -0.560 20 0 CBADRP C[C@@H](O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351591688 219137923 /nfs/dbraw/zinc/13/79/23/219137923.db2.gz GGKHTDLMYFTPKX-OCCSQVGLSA-N 2 0 271.405 -0.560 20 0 CBADRP C[C@@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)CC[NH+]1CCO ZINC000351611703 219146283 /nfs/dbraw/zinc/14/62/83/219146283.db2.gz RWZRFTTVWOWOTD-TZMCWYRMSA-N 2 0 271.405 -0.560 20 0 CBADRP C[NH2+]CCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000151303123 136523225 /nfs/dbraw/zinc/52/32/25/136523225.db2.gz NNHDCESCKYPHSD-UHFFFAOYSA-N 2 0 277.372 -0.217 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000351763257 219198795 /nfs/dbraw/zinc/19/87/95/219198795.db2.gz OGFMFEUUTRSVOB-QWHCGFSZSA-N 2 0 268.405 -0.180 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](O)C2)CC1 ZINC000351776034 219204253 /nfs/dbraw/zinc/20/42/53/219204253.db2.gz XNUKRIZNZYVONO-DGCLKSJQSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431040877 295767053 /nfs/dbraw/zinc/76/70/53/295767053.db2.gz YXXXBUIALRTXOB-VIFPVBQESA-N 2 0 254.334 -0.355 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000128848420 187394206 /nfs/dbraw/zinc/39/42/06/187394206.db2.gz GHEHAIPKOLINIA-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NC1CC[NH+](C)CC1)C1CC1 ZINC000339637629 215282633 /nfs/dbraw/zinc/28/26/33/215282633.db2.gz FSMAOOMASHTHOV-UHFFFAOYSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091549060 180188464 /nfs/dbraw/zinc/18/84/64/180188464.db2.gz VUWQCCQOASCCPT-CHWSQXEVSA-N 2 0 268.405 -0.133 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000339750688 215325753 /nfs/dbraw/zinc/32/57/53/215325753.db2.gz OZNLNEQHMPZBQW-UHFFFAOYSA-N 2 0 298.431 -0.001 20 0 CBADRP O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)NC(=O)NC1CC1 ZINC000107575546 186180144 /nfs/dbraw/zinc/18/01/44/186180144.db2.gz LURHHKMBPRDWQF-DTORHVGOSA-N 2 0 252.318 -0.874 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000132163927 282713412 /nfs/dbraw/zinc/71/34/12/282713412.db2.gz CUWVAVVPNXRIHM-VXGBXAGGSA-N 2 0 282.388 -0.558 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000573842902 334971004 /nfs/dbraw/zinc/97/10/04/334971004.db2.gz CFKJCBLCXFUZPI-QWHCGFSZSA-N 2 0 268.405 -0.262 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2CCC[NH2+]C2)CC1=O ZINC000129980212 187464832 /nfs/dbraw/zinc/46/48/32/187464832.db2.gz BFVWIMLNGNXDCY-CHWSQXEVSA-N 2 0 296.415 -0.488 20 0 CBADRP CS(=O)(=O)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000019680353 351350865 /nfs/dbraw/zinc/35/08/65/351350865.db2.gz LCJDDDPMZMTJHI-UHFFFAOYSA-N 2 0 261.391 -0.437 20 0 CBADRP C[NH+]1CCN(CCNC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000042168166 351428228 /nfs/dbraw/zinc/42/82/28/351428228.db2.gz NKBJAFWFVUDBKY-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP CC(C)C[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000043799118 351443192 /nfs/dbraw/zinc/44/31/92/351443192.db2.gz RXDOZRRVWMTVGH-LBPRGKRZSA-N 2 0 255.362 -0.225 20 0 CBADRP CC(C)[N@H+](C)CC1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000037826063 351409008 /nfs/dbraw/zinc/40/90/08/351409008.db2.gz NEXSPJKISPXXGJ-UHFFFAOYSA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000040808757 351419652 /nfs/dbraw/zinc/41/96/52/351419652.db2.gz NOASZYJDEWDFEF-CYBMUJFWSA-N 2 0 268.405 -0.118 20 0 CBADRP CC[C@H]1COCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298684 351526812 /nfs/dbraw/zinc/52/68/12/351526812.db2.gz KPIGPKBSEVVXCZ-LBPRGKRZSA-N 2 0 255.362 -0.081 20 0 CBADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000053298760 351526889 /nfs/dbraw/zinc/52/68/89/351526889.db2.gz IXEXVZQVYIDLEP-LBPRGKRZSA-N 2 0 255.362 -0.081 20 0 CBADRP C[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCCO1 ZINC000061918632 351573674 /nfs/dbraw/zinc/57/36/74/351573674.db2.gz QXXQMKJLSYHDEI-LBPRGKRZSA-N 2 0 255.362 -0.081 20 0 CBADRP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCCO1 ZINC000061918631 351573713 /nfs/dbraw/zinc/57/37/13/351573713.db2.gz QXXQMKJLSYHDEI-GFCCVEGCSA-N 2 0 255.362 -0.081 20 0 CBADRP O=C(C(=O)N1CC[NH2+]CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062983195 351577639 /nfs/dbraw/zinc/57/76/39/351577639.db2.gz HYZDKXNZNBYTMS-LBPRGKRZSA-N 2 0 280.372 -0.885 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000062983191 351578393 /nfs/dbraw/zinc/57/83/93/351578393.db2.gz OGEDQZYWVJKXQB-LBPRGKRZSA-N 2 0 282.388 -0.639 20 0 CBADRP CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180343 351580666 /nfs/dbraw/zinc/58/06/66/351580666.db2.gz YAQGEFUHESKOGI-OLZOCXBDSA-N 2 0 298.431 -0.066 20 0 CBADRP CC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179681 351580787 /nfs/dbraw/zinc/58/07/87/351580787.db2.gz IUUOAHAAJGPSEF-LLVKDONJSA-N 2 0 284.404 -0.312 20 0 CBADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000070149704 351635966 /nfs/dbraw/zinc/63/59/66/351635966.db2.gz YBAIZPMADMJGLX-SNVBAGLBSA-N 2 0 254.334 -0.259 20 0 CBADRP CCN(C)S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000072709559 351649295 /nfs/dbraw/zinc/64/92/95/351649295.db2.gz YQTSRIXRXYMOCB-UHFFFAOYSA-N 2 0 280.438 -0.392 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC[NH+]2CCCC2)CC1=O ZINC000072826364 351650513 /nfs/dbraw/zinc/65/05/13/351650513.db2.gz XAABLBSXBXLHCM-ZDUSSCGKSA-N 2 0 296.415 -0.392 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000068807762 351621891 /nfs/dbraw/zinc/62/18/91/351621891.db2.gz YYEKGFDHKNOFEC-RYUDHWBXSA-N 2 0 256.394 -0.278 20 0 CBADRP NC(=O)[C@H]1CCC[NH+]1CCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000077282614 351681384 /nfs/dbraw/zinc/68/13/84/351681384.db2.gz LWJMJEFAUBDGCY-VXGBXAGGSA-N 2 0 282.388 -0.334 20 0 CBADRP COC[C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000081066038 351703376 /nfs/dbraw/zinc/70/33/76/351703376.db2.gz MKJAHDQEDRPWAY-LBPRGKRZSA-N 2 0 255.362 -0.223 20 0 CBADRP CN(CCC(=O)N1CC[NH2+]CC1)C[C@@H]1CCC[N@@H+]1C ZINC000092629177 351752044 /nfs/dbraw/zinc/75/20/44/351752044.db2.gz UZUFTLGYTCITMO-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP C[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091311831 351743758 /nfs/dbraw/zinc/74/37/58/351743758.db2.gz HQQVVIXIJQRQFM-VXGBXAGGSA-N 2 0 255.362 -0.083 20 0 CBADRP [NH3+]Cc1ccc(C(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000083456626 351715032 /nfs/dbraw/zinc/71/50/32/351715032.db2.gz KIUJBUOOHRGQAP-UHFFFAOYSA-N 2 0 262.357 -0.220 20 0 CBADRP [NH3+][C@H](C(=O)NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000083456624 351715444 /nfs/dbraw/zinc/71/54/44/351715444.db2.gz GHYFHROXEVWGNB-ZDUSSCGKSA-N 2 0 262.357 -0.292 20 0 CBADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000111611856 351803809 /nfs/dbraw/zinc/80/38/09/351803809.db2.gz FYJUFJORMYYZOH-LLVKDONJSA-N 2 0 255.362 -0.096 20 0 CBADRP C[C@@H](C(=O)NC(N)=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843570 351829656 /nfs/dbraw/zinc/82/96/56/351829656.db2.gz METGSSYEXKDGGU-VHSXEESVSA-N 2 0 256.350 -0.157 20 0 CBADRP CCCN(CC[NH+](C)C)C(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000126288583 351859736 /nfs/dbraw/zinc/85/97/36/351859736.db2.gz CUIWVLABBBOGRN-ZDUSSCGKSA-N 2 0 286.420 -0.114 20 0 CBADRP C[NH+](C)CC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000128871788 351866095 /nfs/dbraw/zinc/86/60/95/351866095.db2.gz ACONOSPSGIKECZ-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000129207513 351868209 /nfs/dbraw/zinc/86/82/09/351868209.db2.gz MDUUZUBGUUMBKC-RYUDHWBXSA-N 2 0 255.362 -0.083 20 0 CBADRP C[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000129157024 351868256 /nfs/dbraw/zinc/86/82/56/351868256.db2.gz NQXSVKFKPMTYTN-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+]1CCC(CNC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000129155821 351868598 /nfs/dbraw/zinc/86/85/98/351868598.db2.gz VBFKSBYCKMXRBM-GFCCVEGCSA-N 2 0 255.362 -0.177 20 0 CBADRP COCC[N@H+](C)CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000129206579 351869049 /nfs/dbraw/zinc/86/90/49/351869049.db2.gz STDHAEKCAIFRNU-LLVKDONJSA-N 2 0 259.350 -0.941 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000129327348 351869815 /nfs/dbraw/zinc/86/98/15/351869815.db2.gz NTHSECGZWUICAZ-RYUDHWBXSA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@@H]1C[C@H](N(C)CC(=O)N2CCNC(=O)C2)CC[N@@H+]1C ZINC000123837200 187110910 /nfs/dbraw/zinc/11/09/10/187110910.db2.gz XIOAMPSUSGEERT-VXGBXAGGSA-N 2 0 282.388 -0.641 20 0 CBADRP [NH3+]C1(C(=O)NCCN2CC[NH2+]CC2)CCCCC1 ZINC000131666601 351887175 /nfs/dbraw/zinc/88/71/75/351887175.db2.gz SIZQNOWRWXWFSD-UHFFFAOYSA-N 2 0 254.378 -0.331 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000131756752 351888607 /nfs/dbraw/zinc/88/86/07/351888607.db2.gz HAUJQWIEROBIOU-VXGBXAGGSA-N 2 0 282.388 -0.701 20 0 CBADRP CC(C)[NH2+]CCC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000131754148 351888941 /nfs/dbraw/zinc/88/89/41/351888941.db2.gz JXHSPGMQUQVELV-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1C[NH2+]CCO1 ZINC000132907105 351895864 /nfs/dbraw/zinc/89/58/64/351895864.db2.gz YETBHOUKOSETNZ-SRVKXCTJSA-N 2 0 253.346 -0.282 20 0 CBADRP O[C@H]1CCCN(CC2(C[N@@H+]3CCC[C@H](O)C3)COC2)C1 ZINC000157341246 351954868 /nfs/dbraw/zinc/95/48/68/351954868.db2.gz CHCCGFJBGNHXKM-KBPBESRZSA-N 2 0 284.400 -0.084 20 0 CBADRP O=C1CC[NH+](CCCC[N@@H+]2CCNC(=O)CC2)CCN1 ZINC000157874126 351957895 /nfs/dbraw/zinc/95/78/95/351957895.db2.gz NGWYUZTVNVIDMD-UHFFFAOYSA-N 2 0 282.388 -0.590 20 0 CBADRP COCC[N@H+](C)CCNC(=O)C1(OC)CC[NH2+]CC1 ZINC000166821515 351987222 /nfs/dbraw/zinc/98/72/22/351987222.db2.gz JZGOXCMLPVQNQK-UHFFFAOYSA-N 2 0 273.377 -0.551 20 0 CBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174718409 352049244 /nfs/dbraw/zinc/04/92/44/352049244.db2.gz OUJBMPXXHYSMJB-NSHDSACASA-N 2 0 285.392 -0.861 20 0 CBADRP COCC[NH2+]CC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186496181 352128277 /nfs/dbraw/zinc/12/82/77/352128277.db2.gz DMOJZUIOQFROEW-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000178659821 352080640 /nfs/dbraw/zinc/08/06/40/352080640.db2.gz DRELXOSFDMPCSO-WDEREUQCSA-N 2 0 270.377 -0.750 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)C1(OC)CC[NH2+]CC1 ZINC000178811409 352083568 /nfs/dbraw/zinc/08/35/68/352083568.db2.gz KMOBDOQLYXTRGA-UHFFFAOYSA-N 2 0 287.404 -0.161 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000178794685 352083665 /nfs/dbraw/zinc/08/36/65/352083665.db2.gz WEILMNYARHKXJT-AWEZNQCLSA-N 2 0 297.399 -0.454 20 0 CBADRP C[C@H]1C[C@H](N(C)C(=O)[C@@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000178815988 352083784 /nfs/dbraw/zinc/08/37/84/352083784.db2.gz OSZVBGURYGBIQJ-TUAOUCFPSA-N 2 0 255.362 -0.084 20 0 CBADRP [NH3+]CCCC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178844953 352084338 /nfs/dbraw/zinc/08/43/38/352084338.db2.gz QHXUVLGEVZRLLP-GFCCVEGCSA-N 2 0 255.362 -0.094 20 0 CBADRP C[C@H]([NH3+])C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000178879606 352084466 /nfs/dbraw/zinc/08/44/66/352084466.db2.gz MHOUNJKMYDBNPP-NSHDSACASA-N 2 0 277.372 -0.203 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000178881686 352084865 /nfs/dbraw/zinc/08/48/65/352084865.db2.gz YRLLPXRHYNUMLT-OLZOCXBDSA-N 2 0 268.405 -0.262 20 0 CBADRP O=C1C[C@@H]([NH2+][C@H]2CCOC2)CN1CCN1CCOCC1 ZINC000178907245 352085562 /nfs/dbraw/zinc/08/55/62/352085562.db2.gz JZRZQFKOIPHHTI-QWHCGFSZSA-N 2 0 283.372 -0.702 20 0 CBADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H](C)[NH3+])CC2)C1 ZINC000178884922 352085941 /nfs/dbraw/zinc/08/59/41/352085941.db2.gz GJXXJFRDJGHJCD-KGLIPLIRSA-N 2 0 298.431 -0.413 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188796471 352159342 /nfs/dbraw/zinc/15/93/42/352159342.db2.gz ZPJPCFYODDGQPZ-QWHCGFSZSA-N 2 0 286.395 -0.170 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000187945297 352144433 /nfs/dbraw/zinc/14/44/33/352144433.db2.gz ZQGCLEHTDUCWPB-FRRDWIJNSA-N 2 0 285.388 -0.410 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000187966038 352145352 /nfs/dbraw/zinc/14/53/52/352145352.db2.gz XCKWUJPCJHQDHL-NWDGAFQWSA-N 2 0 273.377 -0.552 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000187952628 352145394 /nfs/dbraw/zinc/14/53/94/352145394.db2.gz NVOKQKRAOFGFRC-SDDRHHMPSA-N 2 0 253.346 -0.330 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000188052633 352146473 /nfs/dbraw/zinc/14/64/73/352146473.db2.gz NSVOZJONNRLVKW-FRRDWIJNSA-N 2 0 285.388 -0.410 20 0 CBADRP O=C(NCC[C@H]1CC[NH2+]C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188185275 352148174 /nfs/dbraw/zinc/14/81/74/352148174.db2.gz PVZUNRPHBZSNMB-SECBINFHSA-N 2 0 263.345 -0.215 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000219035201 352236687 /nfs/dbraw/zinc/23/66/87/352236687.db2.gz HDWDKXYBRLZPKL-JQWIXIFHSA-N 2 0 270.377 -0.704 20 0 CBADRP CC[N@H+](CCNC(=O)C[C@H]1COCC[NH2+]1)C1CC1 ZINC000219932870 352238037 /nfs/dbraw/zinc/23/80/37/352238037.db2.gz PQZYWKDXLQRLLC-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000220667410 352238801 /nfs/dbraw/zinc/23/88/01/352238801.db2.gz KFQFZQJIXIFIIH-NEPJUHHUSA-N 2 0 255.362 -0.083 20 0 CBADRP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221171292 352240323 /nfs/dbraw/zinc/24/03/23/352240323.db2.gz RKPRQKUQWFKUTE-CHWSQXEVSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000193310245 352204643 /nfs/dbraw/zinc/20/46/43/352204643.db2.gz HVEWZBZQLQBMAB-CYBMUJFWSA-N 2 0 296.415 -0.120 20 0 CBADRP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000195164339 352222401 /nfs/dbraw/zinc/22/24/01/352222401.db2.gz FEWMYAMUQXOOAB-GFCCVEGCSA-N 2 0 282.388 -0.687 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195227245 352223762 /nfs/dbraw/zinc/22/37/62/352223762.db2.gz TZZMTHBIBJAOIT-OUAUKWLOSA-N 2 0 255.387 -0.241 20 0 CBADRP CC(C)NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519110 352227723 /nfs/dbraw/zinc/22/77/23/352227723.db2.gz PDTRSXFRZGHHJY-UHFFFAOYSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(C)C(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519122 352227852 /nfs/dbraw/zinc/22/78/52/352227852.db2.gz WOBWSDHLONWXAN-UHFFFAOYSA-N 2 0 284.404 -0.536 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCC[NH3+] ZINC000228908368 352266302 /nfs/dbraw/zinc/26/63/02/352266302.db2.gz NUISBJLCRBCTAP-OPQQBVKSSA-N 2 0 255.362 -0.016 20 0 CBADRP CN1CCO[C@H](C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000245418311 352318755 /nfs/dbraw/zinc/31/87/55/352318755.db2.gz AUEIUUCXGSWFIE-KGLIPLIRSA-N 2 0 299.415 -0.114 20 0 CBADRP C[NH+](C)CCOCCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000234261997 352281557 /nfs/dbraw/zinc/28/15/57/352281557.db2.gz VMLDRNUMLVXATI-LLVKDONJSA-N 2 0 259.350 -0.941 20 0 CBADRP C[NH+](C)CCOCCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000234262032 352281995 /nfs/dbraw/zinc/28/19/95/352281995.db2.gz RZCVATPDAXBVOS-LLVKDONJSA-N 2 0 259.350 -0.941 20 0 CBADRP C[C@H]1CN(C)CC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000235577434 352287865 /nfs/dbraw/zinc/28/78/65/352287865.db2.gz WYHRDJHUKAANAC-LBPRGKRZSA-N 2 0 254.378 -0.556 20 0 CBADRP CC(C)(C)CC[NH+]1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000236606352 352290870 /nfs/dbraw/zinc/29/08/70/352290870.db2.gz GKLIWHLKWAEUIU-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP CC[NH+]1CCC(CCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000236852540 352294705 /nfs/dbraw/zinc/29/47/05/352294705.db2.gz HVDYTYXQYJAHAN-QWHCGFSZSA-N 2 0 269.389 -0.053 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000236844823 352294817 /nfs/dbraw/zinc/29/48/17/352294817.db2.gz QLKKLDLBMTZGBD-ZDUSSCGKSA-N 2 0 270.421 -0.014 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000236845591 352295369 /nfs/dbraw/zinc/29/53/69/352295369.db2.gz NPCUFSDXIUPLCW-QWHCGFSZSA-N 2 0 270.421 -0.016 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000236838950 352295462 /nfs/dbraw/zinc/29/54/62/352295462.db2.gz CDFIQTVRSHRAKG-UHFFFAOYSA-N 2 0 282.388 -0.510 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000236888448 352295771 /nfs/dbraw/zinc/29/57/71/352295771.db2.gz SGFZJSXQRVRXEW-STQMWFEESA-N 2 0 268.405 -0.119 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000236891344 352296346 /nfs/dbraw/zinc/29/63/46/352296346.db2.gz SGFZJSXQRVRXEW-OLZOCXBDSA-N 2 0 268.405 -0.119 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000237027036 352297923 /nfs/dbraw/zinc/29/79/23/352297923.db2.gz USEONNPRWQVPBT-RYUDHWBXSA-N 2 0 256.394 -0.229 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000237087121 352298417 /nfs/dbraw/zinc/29/84/17/352298417.db2.gz NTVGCZTXUQKSRJ-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH+](C)C1(CNC(=O)C[NH2+]C2CC2)CCOCC1 ZINC000237080827 352298459 /nfs/dbraw/zinc/29/84/59/352298459.db2.gz DCCYGUDZZOTTED-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000237067737 352298904 /nfs/dbraw/zinc/29/89/04/352298904.db2.gz BAADUSHXIMYTGO-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000237105022 352299342 /nfs/dbraw/zinc/29/93/42/352299342.db2.gz WIXWSRSRXBUCTD-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP CN(C)CC[NH+]1CCC(CNC(=O)C2([NH3+])CC2)CC1 ZINC000237155610 352300739 /nfs/dbraw/zinc/30/07/39/352300739.db2.gz ZVMYBVWTJZKWAW-UHFFFAOYSA-N 2 0 268.405 -0.133 20 0 CBADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000237156432 352300766 /nfs/dbraw/zinc/30/07/66/352300766.db2.gz GAVLDRLYGRTZGA-AWEZNQCLSA-N 2 0 298.431 -0.635 20 0 CBADRP CN(C(=O)[C@H]1CN(C)CCO1)[C@H]1CCC[N@H+](C)C1 ZINC000245439230 352319901 /nfs/dbraw/zinc/31/99/01/352319901.db2.gz SQPJWZANGNYUOO-NWDGAFQWSA-N 2 0 255.362 -0.130 20 0 CBADRP CN(C(=O)[C@H]1CN(C)CCO1)[C@@H]1CCC[N@H+](C)C1 ZINC000245439232 352319942 /nfs/dbraw/zinc/31/99/42/352319942.db2.gz SQPJWZANGNYUOO-VXGBXAGGSA-N 2 0 255.362 -0.130 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)Cc1ccccc1 ZINC000237196406 352301407 /nfs/dbraw/zinc/30/14/07/352301407.db2.gz XVNSRKWZIMMUCS-ZNMIVQPWSA-N 2 0 291.395 -0.002 20 0 CBADRP COCC[NH2+]CC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237180068 352301753 /nfs/dbraw/zinc/30/17/53/352301753.db2.gz YDRRRTBYOVBDCE-BETUJISGSA-N 2 0 287.404 -0.162 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000237482646 352306421 /nfs/dbraw/zinc/30/64/21/352306421.db2.gz ALVKKSJVEJIYPR-UPJWGTAASA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000237545941 352307503 /nfs/dbraw/zinc/30/75/03/352307503.db2.gz WDOBPCKZXKCPKC-MNOVXSKESA-N 2 0 270.377 -0.893 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000237595882 352308154 /nfs/dbraw/zinc/30/81/54/352308154.db2.gz OSUSZTKHKGJZNH-QWHCGFSZSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@]1(C(=O)NCCCN2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000237754106 352310333 /nfs/dbraw/zinc/31/03/33/352310333.db2.gz HOMGZCHBADJITN-AWEZNQCLSA-N 2 0 268.405 -0.212 20 0 CBADRP O=C(NCCc1cn2ccccc2n1)[C@@H]1COCCN1 ZINC000237900186 352311077 /nfs/dbraw/zinc/31/10/77/352311077.db2.gz MYPXJKFTGKHMLX-LBPRGKRZSA-N 2 0 274.324 -0.019 20 0 CBADRP O=C([C@H]1CCC[NH2+]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000238000698 352312686 /nfs/dbraw/zinc/31/26/86/352312686.db2.gz WKYQVIFDTFYNAL-QWHCGFSZSA-N 2 0 267.373 -0.081 20 0 CBADRP O=C(C[NH2+]C1CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000238157994 352314671 /nfs/dbraw/zinc/31/46/71/352314671.db2.gz KEYZXWBZRUEJHN-GFCCVEGCSA-N 2 0 267.373 -0.081 20 0 CBADRP OC[C@@H]1CCCN(C[C@@H](O)C[N@@H+]2CCC[C@H](CO)C2)C1 ZINC000245894695 352325881 /nfs/dbraw/zinc/32/58/81/352325881.db2.gz CUORCZQUUMYSNR-QDMKHBRRSA-N 2 0 286.416 -0.244 20 0 CBADRP COC(=O)CNC(=O)[C@@H](C)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246390658 352332526 /nfs/dbraw/zinc/33/25/26/352332526.db2.gz PEBGTGRWGQZMMT-MNOVXSKESA-N 2 0 271.361 -0.452 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@H]2COCCN2)CC[N@@H+]1C[C@@H](C)O ZINC000246483475 352333768 /nfs/dbraw/zinc/33/37/68/352333768.db2.gz OUFVFNCKQUODFS-JHJVBQTASA-N 2 0 285.388 -0.722 20 0 CBADRP CCOCC[N@@H+]1CCN(C(=O)[C@H]2COCCN2)C[C@@H]1CC ZINC000246538682 352334799 /nfs/dbraw/zinc/33/47/99/352334799.db2.gz SIOMTXAOGJAIBG-UONOGXRCSA-N 2 0 299.415 -0.066 20 0 CBADRP O[C@@H]1CCCN(CC2(C[N@@H+]3CCC[C@@H](O)C3)COC2)C1 ZINC000246533012 352335347 /nfs/dbraw/zinc/33/53/47/352335347.db2.gz CHCCGFJBGNHXKM-ZIAGYGMSSA-N 2 0 284.400 -0.084 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000251202421 352374432 /nfs/dbraw/zinc/37/44/32/352374432.db2.gz HBWBIQYXMQXKBM-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252539409 352378355 /nfs/dbraw/zinc/37/83/55/352378355.db2.gz BNXRJKWPXBCNNV-SRVKXCTJSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000252616041 352378663 /nfs/dbraw/zinc/37/86/63/352378663.db2.gz ZNBSPUYMDZYNIT-SRVKXCTJSA-N 2 0 254.378 -0.654 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000252842583 352380479 /nfs/dbraw/zinc/38/04/79/352380479.db2.gz CQXDTYHJPLNBMQ-YFKTTZPYSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000253165908 352381857 /nfs/dbraw/zinc/38/18/57/352381857.db2.gz ZOGNHFSEZRDIEU-FRRDWIJNSA-N 2 0 268.405 -0.264 20 0 CBADRP COC1(C(=O)N2CCC[N@H+](C)CC2)CC[NH2+]CC1 ZINC000261580417 352388714 /nfs/dbraw/zinc/38/87/14/352388714.db2.gz QBDTZRDZOLAQLE-UHFFFAOYSA-N 2 0 255.362 -0.081 20 0 CBADRP COC[C@@]1(C(=O)NCC[N@H+](C)C2CC2)CC[NH2+]C1 ZINC000261585219 352389950 /nfs/dbraw/zinc/38/99/50/352389950.db2.gz SVXZWYPONAOWMQ-CYBMUJFWSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C2C[NH2+]C2)CC1 ZINC000262256330 352412104 /nfs/dbraw/zinc/41/21/04/352412104.db2.gz QKGSNLCBZPEENS-NSHDSACASA-N 2 0 269.389 -0.243 20 0 CBADRP CC[C@@H]1CN(C(=O)C2C[NH2+]C2)CC[N@@H+]1CCOC ZINC000262271438 352413010 /nfs/dbraw/zinc/41/30/10/352413010.db2.gz TWZNSTVUFHTTNB-GFCCVEGCSA-N 2 0 255.362 -0.225 20 0 CBADRP CCN(CC)C(=O)CN1CCCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262291814 352414448 /nfs/dbraw/zinc/41/44/48/352414448.db2.gz XSKPMCOUZNTKRL-UHFFFAOYSA-N 2 0 296.415 -0.392 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CCO1 ZINC000262360059 352417880 /nfs/dbraw/zinc/41/78/80/352417880.db2.gz KHNOSCTUMXXCBW-OUCADQQQSA-N 2 0 267.373 -0.048 20 0 CBADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CNC(=O)C[NH3+])C1 ZINC000262394612 352420332 /nfs/dbraw/zinc/42/03/32/352420332.db2.gz MTWBANOZRJQADL-LLVKDONJSA-N 2 0 284.404 -0.312 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262426558 352421624 /nfs/dbraw/zinc/42/16/24/352421624.db2.gz HQWZPMKHLHDLSG-MCIONIFRSA-N 2 0 280.416 -0.072 20 0 CBADRP C[C@H](CNC(=O)CNC(=O)C[NH3+])[NH+]1CCC(C)CC1 ZINC000262462086 352422018 /nfs/dbraw/zinc/42/20/18/352422018.db2.gz XTUGNXGFOBIOHA-LLVKDONJSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H](CNC(=O)C[C@H]1COCC[NH2+]1)N1CCOCC1 ZINC000262484119 352423477 /nfs/dbraw/zinc/42/34/77/352423477.db2.gz ZXIOCVAJEPAJKW-NEPJUHHUSA-N 2 0 271.361 -0.798 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262490218 352423616 /nfs/dbraw/zinc/42/36/16/352423616.db2.gz ZFSUNTGFOHOBJT-TUAOUCFPSA-N 2 0 255.362 -0.491 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000262637334 352428970 /nfs/dbraw/zinc/42/89/70/352428970.db2.gz ILRUQAYUVUWIGJ-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH2+]CC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000262643943 352429624 /nfs/dbraw/zinc/42/96/24/352429624.db2.gz MOADTTJEJKQHLQ-UHFFFAOYSA-N 2 0 277.372 -0.331 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[C@H]1C ZINC000262764214 352433816 /nfs/dbraw/zinc/43/38/16/352433816.db2.gz IXHQXKSETNZYDY-RWMBFGLXSA-N 2 0 296.415 -0.395 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000263110072 352437571 /nfs/dbraw/zinc/43/75/71/352437571.db2.gz DRNHPNCNVPONGX-JSGCOSHPSA-N 2 0 296.415 -0.219 20 0 CBADRP [NH3+]CCN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000263066508 352438005 /nfs/dbraw/zinc/43/80/05/352438005.db2.gz WABZTOXCRUVUPB-NWDGAFQWSA-N 2 0 254.378 -0.475 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000263243383 352440027 /nfs/dbraw/zinc/44/00/27/352440027.db2.gz MAPQJQSOTCQVHF-GYSYKLTISA-N 2 0 296.415 -0.173 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000263225759 352440476 /nfs/dbraw/zinc/44/04/76/352440476.db2.gz GKTKIZGIMSQYNI-JKOKRWQUSA-N 2 0 296.415 -0.315 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000261953124 352401946 /nfs/dbraw/zinc/40/19/46/352401946.db2.gz KFLUMVKOMXJLII-AWEZNQCLSA-N 2 0 268.405 -0.179 20 0 CBADRP COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262052755 352405095 /nfs/dbraw/zinc/40/50/95/352405095.db2.gz ZVTDWEILXLJPAI-NEPJUHHUSA-N 2 0 256.346 -0.016 20 0 CBADRP Cn1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(=O)n(C)c1=O ZINC000262052348 352405178 /nfs/dbraw/zinc/40/51/78/352405178.db2.gz QHLLQGWQNWLQAU-CQSZACIVSA-N 2 0 278.356 -0.731 20 0 CBADRP CCNC(=O)CN1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000262158005 352407841 /nfs/dbraw/zinc/40/78/41/352407841.db2.gz GQTUSCXXVGMXLF-UHFFFAOYSA-N 2 0 268.405 -0.260 20 0 CBADRP [NH3+]CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000269241298 352465272 /nfs/dbraw/zinc/46/52/72/352465272.db2.gz BKFBGMUUIYSTPZ-UHFFFAOYSA-N 3 0 277.372 -0.331 20 0 CBADRP CC[C@@]1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCC[NH2+]1 ZINC000134367096 187743154 /nfs/dbraw/zinc/74/31/54/187743154.db2.gz DCMKKUKOBKRCIK-DOMZBBRYSA-N 2 0 296.415 -0.168 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000312734053 352776199 /nfs/dbraw/zinc/77/61/99/352776199.db2.gz TUJWTDRZRYZOOB-HUUCEWRRSA-N 2 0 285.432 -0.047 20 0 CBADRP CC(=O)NCCN(C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000308179784 352754281 /nfs/dbraw/zinc/75/42/81/352754281.db2.gz GTLKJLZZBOFQPJ-GJZGRUSLSA-N 2 0 279.384 -0.015 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000310401120 352758993 /nfs/dbraw/zinc/75/89/93/352758993.db2.gz UNCBBFZNYRMQTD-MRVPVSSYSA-N 2 0 253.293 -0.337 20 0 CBADRP CNC(=O)C[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000323046682 352782105 /nfs/dbraw/zinc/78/21/05/352782105.db2.gz PPOQZTASRXRWPB-RYUDHWBXSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000331390844 352911197 /nfs/dbraw/zinc/91/11/97/352911197.db2.gz MGDOFNUKSBUJBS-LOWVWBTDSA-N 2 0 294.399 -0.594 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C[N@@H+]1C1CC1 ZINC000331392676 352912109 /nfs/dbraw/zinc/91/21/09/352912109.db2.gz MUJGTFXBXAOBCB-TUAOUCFPSA-N 2 0 294.399 -0.452 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@@H]1[NH+](C)C ZINC000331456010 352915643 /nfs/dbraw/zinc/91/56/43/352915643.db2.gz HMXAXSYQBYRFLA-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000331467370 352916927 /nfs/dbraw/zinc/91/69/27/352916927.db2.gz NREWFTOMAVMCEH-NEPJUHHUSA-N 2 0 282.388 -0.654 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000331492918 352918943 /nfs/dbraw/zinc/91/89/43/352918943.db2.gz RIVOYCOLZHSGDG-QWHCGFSZSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@H]1CC2(C[N@@H+]1CC(=O)NC(N)=O)CC[NH2+]CC2 ZINC000331632760 352926285 /nfs/dbraw/zinc/92/62/85/352926285.db2.gz MADOBMSSRIMVDC-VIFPVBQESA-N 2 0 254.334 -0.355 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@@H]1[NH3+] ZINC000331681932 352926308 /nfs/dbraw/zinc/92/63/08/352926308.db2.gz UBJKOEFZJPXYJL-YVECIDJPSA-N 2 0 294.399 -0.465 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC[NH2+]1 ZINC000331958881 352928402 /nfs/dbraw/zinc/92/84/02/352928402.db2.gz QBSYOVSHQYVFFA-CHWSQXEVSA-N 2 0 292.383 -0.721 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000331962444 352928485 /nfs/dbraw/zinc/92/84/85/352928485.db2.gz KNTNUAVUGRRJSO-UHFFFAOYSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)[C@H](C)C[NH2+]1 ZINC000332655119 352972360 /nfs/dbraw/zinc/97/23/60/352972360.db2.gz VTTJLTLZVUGJMR-UPJWGTAASA-N 2 0 294.399 -0.498 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332664699 352973694 /nfs/dbraw/zinc/97/36/94/352973694.db2.gz XUWSSCXLJISSHB-RYUDHWBXSA-N 2 0 280.372 -0.887 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@H]1CCC[NH+]1C ZINC000332819824 352988065 /nfs/dbraw/zinc/98/80/65/352988065.db2.gz GPJCTKXOSCBFHL-OLZOCXBDSA-N 2 0 283.420 -0.374 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C[C@H](C)[NH2+]1 ZINC000332600827 352969886 /nfs/dbraw/zinc/96/98/86/352969886.db2.gz CWUCYMRHMJKYGK-XQQFMLRXSA-N 2 0 294.399 -0.498 20 0 CBADRP O=C(NC1C[NH2+]C1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335397378 353031902 /nfs/dbraw/zinc/03/19/02/353031902.db2.gz VQJUPWYFSKNDBG-WDEREUQCSA-N 2 0 252.362 -0.011 20 0 CBADRP C[C@H]1CN(C(=O)NCC[N@@H+]2CCCOCC2)CC[NH2+]1 ZINC000333539576 353002222 /nfs/dbraw/zinc/00/22/22/353002222.db2.gz JBMFCMGSCWSMJR-LBPRGKRZSA-N 2 0 270.377 -0.288 20 0 CBADRP C[NH+](C)C1(CNC(=O)N2CCOC3(C[NH2+]C3)C2)CCC1 ZINC000333563067 353003312 /nfs/dbraw/zinc/00/33/12/353003312.db2.gz LPLRJLXRXBQDOS-UHFFFAOYSA-N 2 0 282.388 -0.146 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]([NH3+])C3CCC3)C[C@H]2[NH3+])cn1 ZINC000333561520 353003709 /nfs/dbraw/zinc/00/37/09/353003709.db2.gz LBSDFCZYQZDJIL-XQQFMLRXSA-N 2 0 277.372 -0.199 20 0 CBADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)N1CCNC(=O)C1)CC[NH2+]CC2 ZINC000333644520 353006496 /nfs/dbraw/zinc/00/64/96/353006496.db2.gz XVXBUEJGAWAWRA-GFCCVEGCSA-N 2 0 294.399 -0.591 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000333692931 353007752 /nfs/dbraw/zinc/00/77/52/353007752.db2.gz PXJFBGJPOONWGU-XQQFMLRXSA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000333692926 353007918 /nfs/dbraw/zinc/00/79/18/353007918.db2.gz PXJFBGJPOONWGU-FRRDWIJNSA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000333692924 353008027 /nfs/dbraw/zinc/00/80/27/353008027.db2.gz PXJFBGJPOONWGU-AGIUHOORSA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000333692927 353008308 /nfs/dbraw/zinc/00/83/08/353008308.db2.gz PXJFBGJPOONWGU-RWMBFGLXSA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(CCO)C[C@H]1C ZINC000333764670 353010209 /nfs/dbraw/zinc/01/02/09/353010209.db2.gz BBMWBYGZYSUPCO-JHJVBQTASA-N 2 0 284.404 -0.308 20 0 CBADRP CC[C@@H](O)CN1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000333754583 353010275 /nfs/dbraw/zinc/01/02/75/353010275.db2.gz ZOBHVWQEGKDFPO-CHWSQXEVSA-N 2 0 284.404 -0.164 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000333814270 353011814 /nfs/dbraw/zinc/01/18/14/353011814.db2.gz JXDMWVZWDXIOQT-CYBMUJFWSA-N 2 0 281.404 -0.619 20 0 CBADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333840152 353012047 /nfs/dbraw/zinc/01/20/47/353012047.db2.gz OCBVTSYEZPYNBM-NDBYEHHHSA-N 2 0 296.415 -0.309 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333893507 353013298 /nfs/dbraw/zinc/01/32/98/353013298.db2.gz YPQFNTQMDHENKS-HZSPNIEDSA-N 2 0 295.431 -0.327 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000336828412 353061358 /nfs/dbraw/zinc/06/13/58/353061358.db2.gz PJTLRAZBLGZQDK-DGCLKSJQSA-N 2 0 286.420 -0.068 20 0 CBADRP COCCN1CC[C@@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000336903397 353064845 /nfs/dbraw/zinc/06/48/45/353064845.db2.gz VEFLJIIKIDVFGQ-CYBMUJFWSA-N 2 0 259.394 -0.125 20 0 CBADRP C[NH+](C)CC1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000336706249 353047575 /nfs/dbraw/zinc/04/75/75/353047575.db2.gz FOVURFJZJNOCLV-UHFFFAOYSA-N 2 0 263.407 -0.061 20 0 CBADRP CNS(=O)(=O)CCCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336795503 353053906 /nfs/dbraw/zinc/05/39/06/353053906.db2.gz KZNVMSOWBMEOKF-GFCCVEGCSA-N 2 0 275.418 -0.047 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)C1([NH3+])CCOCC1 ZINC000338149126 353087259 /nfs/dbraw/zinc/08/72/59/353087259.db2.gz JGDHLMVDWZTANT-UHFFFAOYSA-N 2 0 273.377 -0.421 20 0 CBADRP C[NH+](CCCCC[N@@H+](C)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000340222652 353158511 /nfs/dbraw/zinc/15/85/11/353158511.db2.gz QDCSEMNACOENFO-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC1=[NH+]CCCN1 ZINC000340037251 353145027 /nfs/dbraw/zinc/14/50/27/353145027.db2.gz JAKACMGYYFFYGJ-GFCCVEGCSA-N 2 0 281.404 -0.132 20 0 CBADRP CC[NH+](CC)CCS(=O)(=O)NCC[NH+](C)C ZINC000340049751 353146690 /nfs/dbraw/zinc/14/66/90/353146690.db2.gz XQBHWBASMQCXJF-UHFFFAOYSA-N 2 0 251.396 -0.191 20 0 CBADRP C[C@H]([NH3+])CC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000340184496 353154814 /nfs/dbraw/zinc/15/48/14/353154814.db2.gz MIECAGGNDWXRKE-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340483004 353172740 /nfs/dbraw/zinc/17/27/40/353172740.db2.gz ZWNGCGFNMBGNKK-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)CCN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000340690704 353182546 /nfs/dbraw/zinc/18/25/46/353182546.db2.gz QMXPPYYIYXKUCV-CYBMUJFWSA-N 2 0 268.405 -0.214 20 0 CBADRP C[C@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)C[NH+]1CCCC1 ZINC000340763902 353184571 /nfs/dbraw/zinc/18/45/71/353184571.db2.gz BACYFOFPODHGOQ-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000341253656 353207334 /nfs/dbraw/zinc/20/73/34/353207334.db2.gz DDRBJEHDMDOIJJ-RYUDHWBXSA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C[NH+](C)C ZINC000341259767 353207424 /nfs/dbraw/zinc/20/74/24/353207424.db2.gz LFLDEILNUCQNQC-STQMWFEESA-N 2 0 268.405 -0.310 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC[C@H](C)C[NH+](C)C)CC1 ZINC000341272536 353207661 /nfs/dbraw/zinc/20/76/61/353207661.db2.gz YUYFGLOHNVNEHL-ZDUSSCGKSA-N 2 0 270.421 -0.062 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000342765253 353231962 /nfs/dbraw/zinc/23/19/62/353231962.db2.gz NASDOSILERECOA-SNVBAGLBSA-N 2 0 257.334 -0.521 20 0 CBADRP COC(=O)CN1CCC([NH2+]CC2(O)CC[NH+](C)CC2)CC1 ZINC000342773589 353232552 /nfs/dbraw/zinc/23/25/52/353232552.db2.gz BZRYCTLKIMXNOF-UHFFFAOYSA-N 2 0 299.415 -0.330 20 0 CBADRP C[C@H]1CC2(CN1C(=O)[C@H]1C[NH2+]CCO1)CC[NH2+]CC2 ZINC000424223051 290363103 /nfs/dbraw/zinc/36/31/03/290363103.db2.gz KQPKPOHBWLPPMN-NWDGAFQWSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])CCC(=O)OC)C1 ZINC000342687578 353227531 /nfs/dbraw/zinc/22/75/31/353227531.db2.gz BKROSHQZWSXRSX-GHMZBOCLSA-N 2 0 271.361 -0.133 20 0 CBADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CCC(=O)OC)C1 ZINC000342687581 353227632 /nfs/dbraw/zinc/22/76/32/353227632.db2.gz BKROSHQZWSXRSX-WDEREUQCSA-N 2 0 271.361 -0.133 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000342695883 353228137 /nfs/dbraw/zinc/22/81/37/353228137.db2.gz GLOPRDBWGOOILP-MNOVXSKESA-N 2 0 271.361 -0.133 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000342704044 353228992 /nfs/dbraw/zinc/22/89/92/353228992.db2.gz KYVHMKCTRTXKOM-YNEHKIRRSA-N 2 0 296.415 -0.170 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000342712391 353229018 /nfs/dbraw/zinc/22/90/18/353229018.db2.gz RMGZCUDXKZUYQT-KOLCDFICSA-N 2 0 271.361 -0.134 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000343130515 353254989 /nfs/dbraw/zinc/25/49/89/353254989.db2.gz PLLPQOBWAPIXFO-ZIAGYGMSSA-N 2 0 282.432 -0.062 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343179486 353257909 /nfs/dbraw/zinc/25/79/09/353257909.db2.gz LAQNBLKOJONMQF-ZIAGYGMSSA-N 2 0 280.416 -0.023 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343305462 353266023 /nfs/dbraw/zinc/26/60/23/353266023.db2.gz JWXFYSYFWMFARP-UHFFFAOYSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000419401010 295860250 /nfs/dbraw/zinc/86/02/50/295860250.db2.gz ADAVMQXJSKXBMN-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343898869 353297186 /nfs/dbraw/zinc/29/71/86/353297186.db2.gz PNKSPPVNEXCVNI-SNPRPXQTSA-N 2 0 292.427 -0.025 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000345521856 353334851 /nfs/dbraw/zinc/33/48/51/353334851.db2.gz LTCXRQFKAPCTDH-AWEZNQCLSA-N 2 0 298.431 -0.539 20 0 CBADRP C[NH+](C)C1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000345308927 353322210 /nfs/dbraw/zinc/32/22/10/353322210.db2.gz UKCJKWIQHSPNQD-GFCCVEGCSA-N 2 0 252.362 -0.851 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000346018695 353358520 /nfs/dbraw/zinc/35/85/20/353358520.db2.gz VGZRRERFKJGOOY-CYBMUJFWSA-N 2 0 284.404 -0.929 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000346536694 353382205 /nfs/dbraw/zinc/38/22/05/353382205.db2.gz TXOOOBMLRVRDBN-DGCLKSJQSA-N 2 0 296.415 -0.395 20 0 CBADRP C[C@H](CNC(=O)CNC(=O)C[NH3+])[N@@H+]1CCCC[C@H]1C ZINC000347669010 353398587 /nfs/dbraw/zinc/39/85/87/353398587.db2.gz MGXYFSKUNQVRFF-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)CC[N@@H+]1C ZINC000347993778 353404022 /nfs/dbraw/zinc/40/40/22/353404022.db2.gz BTDPZLCLHXQGMZ-NWDGAFQWSA-N 2 0 284.404 -0.395 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000349983496 353469203 /nfs/dbraw/zinc/46/92/03/353469203.db2.gz BIQVDAUKGXZAJM-LBPRGKRZSA-N 2 0 256.394 -0.133 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000351860183 353477836 /nfs/dbraw/zinc/47/78/36/353477836.db2.gz HTEPZOICXRNCRQ-WUHRBBMRSA-N 2 0 296.415 -0.232 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCC1 ZINC000352783690 353505753 /nfs/dbraw/zinc/50/57/53/353505753.db2.gz KSIUCJJISYANJG-UHFFFAOYSA-N 2 0 268.405 -0.212 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCN3CCC4)[C@@H]2C1 ZINC000352806326 353506243 /nfs/dbraw/zinc/50/62/43/353506243.db2.gz PZQQYHOXRYNGTF-RBSFLKMASA-N 2 0 292.427 -0.071 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCN3CCC4)[C@H]2C1 ZINC000352806325 353506417 /nfs/dbraw/zinc/50/64/17/353506417.db2.gz PZQQYHOXRYNGTF-QLFBSQMISA-N 2 0 292.427 -0.071 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000353535363 353533327 /nfs/dbraw/zinc/53/33/27/353533327.db2.gz VVQSLMDPVRLGBT-TUAOUCFPSA-N 2 0 273.377 -0.424 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000354071907 353541843 /nfs/dbraw/zinc/54/18/43/353541843.db2.gz CMYMDRFIQMMLNG-ZDUSSCGKSA-N 2 0 287.404 -0.081 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NCC[NH+](C)C1CC1 ZINC000352732909 353504028 /nfs/dbraw/zinc/50/40/28/353504028.db2.gz VPFBIALSLWMWJJ-UHFFFAOYSA-N 2 0 272.393 -0.042 20 0 CBADRP CCC(CC)(C[NH3+])NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354671640 353576846 /nfs/dbraw/zinc/57/68/46/353576846.db2.gz PRBDXESDRDWXPW-LLVKDONJSA-N 2 0 284.404 -0.122 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354669539 353577021 /nfs/dbraw/zinc/57/70/21/353577021.db2.gz IIAMQWRLEQJDOK-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCC[NH+]1CCCC1 ZINC000354686899 353578269 /nfs/dbraw/zinc/57/82/69/353578269.db2.gz GTJSAEIUPKEPKC-CYBMUJFWSA-N 2 0 296.415 -0.153 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354699684 353578729 /nfs/dbraw/zinc/57/87/29/353578729.db2.gz VYXURGGTMYIEDE-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[NH+](CC)CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354690649 353578959 /nfs/dbraw/zinc/57/89/59/353578959.db2.gz LTXLUAYJIHBCBP-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[N@H+](C)CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354710501 353579607 /nfs/dbraw/zinc/57/96/07/353579607.db2.gz OGVSWROBXIDVBR-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354702466 353579613 /nfs/dbraw/zinc/57/96/13/353579613.db2.gz YHDPSKXKILSDFQ-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000354713195 353580558 /nfs/dbraw/zinc/58/05/58/353580558.db2.gz QJJQMZWVURYJJL-RYUDHWBXSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@H](C)C[NH2+]1 ZINC000354748050 353582863 /nfs/dbraw/zinc/58/28/63/353582863.db2.gz BAFRZHYHFQYGMG-IJLUTSLNSA-N 2 0 282.388 -0.547 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N(C)CC[NH+](C)C)C1 ZINC000356087719 353596572 /nfs/dbraw/zinc/59/65/72/353596572.db2.gz JCTQGMYGVSKNSS-GFCCVEGCSA-N 2 0 272.393 -0.090 20 0 CBADRP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)N1CCNC(=O)C1 ZINC000357081612 353601511 /nfs/dbraw/zinc/60/15/11/353601511.db2.gz NOGFZLWJXONOEW-ZDUSSCGKSA-N 2 0 294.399 -0.734 20 0 CBADRP CC[NH+](CC)CC(=O)NCCN1CC[NH+](C)CC1 ZINC000354284475 353553047 /nfs/dbraw/zinc/55/30/47/353553047.db2.gz XDNTYFCZIDZPSN-UHFFFAOYSA-N 2 0 256.394 -0.308 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358504448 353648430 /nfs/dbraw/zinc/64/84/30/353648430.db2.gz ROESMUNFMNSARP-PWSUYJOCSA-N 2 0 258.366 -0.698 20 0 CBADRP CN(C(=O)[C@@H]1C[C@@H](O)C[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000357900140 353613214 /nfs/dbraw/zinc/61/32/14/353613214.db2.gz BALMCPJXMAADGJ-TUAOUCFPSA-N 2 0 253.346 -0.596 20 0 CBADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000357932945 353615592 /nfs/dbraw/zinc/61/55/92/353615592.db2.gz XYTVHQZBFOMYNE-BFHYXJOUSA-N 2 0 281.400 -0.101 20 0 CBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000357939370 353616045 /nfs/dbraw/zinc/61/60/45/353616045.db2.gz ZIYYYVWMOKTMAR-RWMBFGLXSA-N 2 0 269.389 -0.101 20 0 CBADRP CN(CC[N@H+](C)[C@@H]1COC[C@H]1O)C1CC[NH+](C)CC1 ZINC000361328322 353661454 /nfs/dbraw/zinc/66/14/54/353661454.db2.gz KGKZKXPJBWXRRD-ZIAGYGMSSA-N 2 0 271.405 -0.296 20 0 CBADRP COCCOCC[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000362827579 353668454 /nfs/dbraw/zinc/66/84/54/353668454.db2.gz AECHZWZMSCTECX-CYBMUJFWSA-N 2 0 285.388 -0.454 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)C1 ZINC000365091154 353672891 /nfs/dbraw/zinc/67/28/91/353672891.db2.gz MQJZNYXTXPBOES-WHOHXGKFSA-N 2 0 287.429 -0.133 20 0 CBADRP C[C@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000370772017 353691660 /nfs/dbraw/zinc/69/16/60/353691660.db2.gz JCPRZSZGSWHTDS-TZMCWYRMSA-N 2 0 286.395 -0.312 20 0 CBADRP C[NH2+]CC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000372099832 353710309 /nfs/dbraw/zinc/71/03/09/353710309.db2.gz YUGAXHMQAXJJIV-LBPRGKRZSA-N 2 0 254.378 -0.556 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(C)(C)[NH3+])CC2)C1 ZINC000372097957 353710361 /nfs/dbraw/zinc/71/03/61/353710361.db2.gz FHDPPCYLHFTDQR-GFCCVEGCSA-N 2 0 268.405 -0.038 20 0 CBADRP C[NH+](C)CCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000372366713 353715285 /nfs/dbraw/zinc/71/52/85/353715285.db2.gz CBTSXUVMBRSOAC-NEPJUHHUSA-N 2 0 270.377 -0.290 20 0 CBADRP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CC[NH+](CC2CC2)CC1 ZINC000372355993 353715300 /nfs/dbraw/zinc/71/53/00/353715300.db2.gz KFLSLEQERNLPFG-OAHLLOKOSA-N 2 0 292.427 -0.070 20 0 CBADRP CN(C)S(=O)(=O)CC[NH+]1CCC(CC[NH3+])CC1 ZINC000384044274 353785493 /nfs/dbraw/zinc/78/54/93/353785493.db2.gz VQKCHPUDAXNKRJ-UHFFFAOYSA-N 2 0 263.407 -0.061 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000375717516 353765985 /nfs/dbraw/zinc/76/59/85/353765985.db2.gz GPIRXRMXLULKLC-VXGBXAGGSA-N 2 0 287.429 0.000 20 0 CBADRP C[NH2+]CCC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000375834873 353768318 /nfs/dbraw/zinc/76/83/18/353768318.db2.gz PLJMFNQCVARPLP-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP CC1(CNC(=O)C[C@@H]2COCC[NH2+]2)CC[NH2+]CC1 ZINC000375835368 353768347 /nfs/dbraw/zinc/76/83/47/353768347.db2.gz UCPUOUTYQHUYNL-LLVKDONJSA-N 2 0 255.362 -0.129 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000377806687 353779511 /nfs/dbraw/zinc/77/95/11/353779511.db2.gz ICBSMCJPCXZCDG-RYUDHWBXSA-N 2 0 257.378 -0.027 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(C2(C(N)=O)CCCC2)CC1 ZINC000373798749 353736596 /nfs/dbraw/zinc/73/65/96/353736596.db2.gz FRJUGCYWLXWJPL-NWDGAFQWSA-N 2 0 296.415 -0.088 20 0 CBADRP CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000400212027 353800313 /nfs/dbraw/zinc/80/03/13/353800313.db2.gz VQPDBXNRAKVMNM-DCAQKATOSA-N 2 0 261.391 -0.120 20 0 CBADRP CS(=O)(=O)N1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000400203972 353800397 /nfs/dbraw/zinc/80/03/97/353800397.db2.gz SDHFNKKDLJSSOR-VQXHTEKXSA-N 2 0 261.391 -0.120 20 0 CBADRP NC(=O)NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000385399502 353787012 /nfs/dbraw/zinc/78/70/12/353787012.db2.gz LMOQSXZZIRISJU-CABZTGNLSA-N 2 0 254.334 -0.368 20 0 CBADRP CN(C)C(=O)CCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000390295341 353791194 /nfs/dbraw/zinc/79/11/94/353791194.db2.gz YBGMRLCJTDKIEJ-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP CN1CCN(C(=O)CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000408164510 353861981 /nfs/dbraw/zinc/86/19/81/353861981.db2.gz MGABEYYHZSOUCK-GFCCVEGCSA-N 2 0 282.388 -0.639 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000410475288 353929205 /nfs/dbraw/zinc/92/92/05/353929205.db2.gz MMQMMDMYNIAHFE-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000418407482 353996850 /nfs/dbraw/zinc/99/68/50/353996850.db2.gz FQAIXFDOARVYTE-BZPMIXESSA-N 2 0 284.404 -0.130 20 0 CBADRP CC[NH+](CC)CCNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000416789679 353973190 /nfs/dbraw/zinc/97/31/90/353973190.db2.gz KWILPMHSMOWDCI-LLVKDONJSA-N 2 0 258.366 -0.384 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC[NH3+])C1 ZINC000416866925 353973700 /nfs/dbraw/zinc/97/37/00/353973700.db2.gz KTFXQZCIOWGGPX-NSHDSACASA-N 2 0 258.366 -0.399 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)NCCN1CC[NH2+]CC1 ZINC000417322603 353976487 /nfs/dbraw/zinc/97/64/87/353976487.db2.gz WCILZUVVFOWCIM-LBPRGKRZSA-N 2 0 271.409 -0.469 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417091662 353976718 /nfs/dbraw/zinc/97/67/18/353976718.db2.gz KGLQCKHNVFLIIY-GDNZZTSVSA-N 2 0 270.377 -0.528 20 0 CBADRP COCC[NH2+]CCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000417290048 353976857 /nfs/dbraw/zinc/97/68/57/353976857.db2.gz WKILPQSLVMZVLF-NSHDSACASA-N 2 0 258.366 -0.384 20 0 CBADRP CC(C)(O)C[NH+]1CCN(C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000418455736 353998055 /nfs/dbraw/zinc/99/80/55/353998055.db2.gz HFFFGHILGLTINH-GFCCVEGCSA-N 2 0 284.404 -0.178 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCCN1CC[NH2+]CC1 ZINC000417447263 353977342 /nfs/dbraw/zinc/97/73/42/353977342.db2.gz OVPPTEWQAVAFLF-ZDUSSCGKSA-N 2 0 285.436 -0.079 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000417446643 353977745 /nfs/dbraw/zinc/97/77/45/353977745.db2.gz MNTAHTGULPGTFZ-STQMWFEESA-N 2 0 285.436 -0.081 20 0 CBADRP CC[N@H+](CCNC(=O)NC[C@H]1C[NH2+]CCN1C)C(C)C ZINC000417464298 353977896 /nfs/dbraw/zinc/97/78/96/353977896.db2.gz QENPUDMOFPKKPN-CYBMUJFWSA-N 2 0 285.436 -0.081 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N(C)C1CC([NH3+])C1 ZINC000417440195 353977936 /nfs/dbraw/zinc/97/79/36/353977936.db2.gz NPFPZDWRQZZYGM-UHFFFAOYSA-N 2 0 258.366 -0.304 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000417445003 353978034 /nfs/dbraw/zinc/97/80/34/353978034.db2.gz FIHMKGXMMKEGQK-LBPRGKRZSA-N 2 0 272.393 -0.137 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000418407484 353997224 /nfs/dbraw/zinc/99/72/24/353997224.db2.gz FQAIXFDOARVYTE-DYEKYZERSA-N 2 0 284.404 -0.130 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)C[NH3+] ZINC000417569169 353979610 /nfs/dbraw/zinc/97/96/10/353979610.db2.gz QBONQDLTTWQKHM-VXGBXAGGSA-N 2 0 272.393 -0.009 20 0 CBADRP C[NH2+]CCNC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000417564946 353979929 /nfs/dbraw/zinc/97/99/29/353979929.db2.gz JZDDTPFQWVOOGO-LLVKDONJSA-N 2 0 258.366 -0.384 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000417708047 353982079 /nfs/dbraw/zinc/98/20/79/353982079.db2.gz OABWALLSQQSSGL-VXGBXAGGSA-N 2 0 272.393 -0.138 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000418424172 353997317 /nfs/dbraw/zinc/99/73/17/353997317.db2.gz GMVDICQPUOXXAU-WCQYABFASA-N 2 0 272.393 -0.274 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)NCC[C@H](C)[NH3+] ZINC000417760382 353982921 /nfs/dbraw/zinc/98/29/21/353982921.db2.gz XSOHHXHEYHEWIU-NSHDSACASA-N 2 0 260.382 -0.009 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000417776237 353982977 /nfs/dbraw/zinc/98/29/77/353982977.db2.gz AHDZHAHBWVFIRS-AGIUHOORSA-N 2 0 296.415 -0.312 20 0 CBADRP CC1(C)CN(C(=O)C[NH2+]C[C@H]2CCCO2)CC[NH2+]1 ZINC000417847736 353984950 /nfs/dbraw/zinc/98/49/50/353984950.db2.gz ZOZMDGAGLNAIEJ-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)NCCN2CC[NH2+]CC2)CCC[N@@H+]1C ZINC000418003877 353986412 /nfs/dbraw/zinc/98/64/12/353986412.db2.gz NLZLGGOJOBLHDO-OLZOCXBDSA-N 2 0 283.420 -0.327 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)CCC[N@@H+]1C ZINC000418008754 353986718 /nfs/dbraw/zinc/98/67/18/353986718.db2.gz SROOCKPWBCQLMI-AGIUHOORSA-N 2 0 283.420 -0.328 20 0 CBADRP C[C@H]1[C@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CCC[N@@H+]1C ZINC000418011597 353986770 /nfs/dbraw/zinc/98/67/70/353986770.db2.gz XBRSGUVTBIJWPY-USZNOCQGSA-N 2 0 270.377 -0.557 20 0 CBADRP C[NH+](C)CCOCCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418067979 353987424 /nfs/dbraw/zinc/98/74/24/353987424.db2.gz NHBJLKFTSKPENA-NSHDSACASA-N 2 0 258.366 -0.384 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCOCC[NH+](C)C ZINC000418067262 353987658 /nfs/dbraw/zinc/98/76/58/353987658.db2.gz MLONFPVPYKQCMM-VXGBXAGGSA-N 2 0 272.393 -0.138 20 0 CBADRP CC(C)C[C@H](NC(=O)NCC[NH3+])C(=O)NCC[NH+](C)C ZINC000418306776 353992923 /nfs/dbraw/zinc/99/29/23/353992923.db2.gz RVXYSFYLLDHNHV-NSHDSACASA-N 2 0 287.408 -0.663 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[NH2+]C)CC1 ZINC000418334044 353993777 /nfs/dbraw/zinc/99/37/77/353993777.db2.gz SRUYPXLSGYYKLP-UHFFFAOYSA-N 2 0 299.419 -0.599 20 0 CBADRP C[NH2+]CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000418334426 353993894 /nfs/dbraw/zinc/99/38/94/353993894.db2.gz UCHLVMZGVBTYOH-UHFFFAOYSA-N 2 0 297.403 -0.845 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000418362974 353994684 /nfs/dbraw/zinc/99/46/84/353994684.db2.gz BOEKQIJLNJJNCP-OLZOCXBDSA-N 2 0 286.420 -0.012 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)NC[C@H]1CCC[N@H+]1CCCO ZINC000418361131 353994857 /nfs/dbraw/zinc/99/48/57/353994857.db2.gz GSYFTMBIIBOQQC-CHWSQXEVSA-N 2 0 284.404 -0.116 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418376495 353995620 /nfs/dbraw/zinc/99/56/20/353995620.db2.gz UOEXMBFOLVZMIE-LLVKDONJSA-N 2 0 258.366 -0.648 20 0 CBADRP COC[C@@]1(CNC(=O)NC[C@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000418380316 353995847 /nfs/dbraw/zinc/99/58/47/353995847.db2.gz WUOZVAPFJGYEMU-YPMHNXCESA-N 2 0 270.377 -0.194 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418376496 353995868 /nfs/dbraw/zinc/99/58/68/353995868.db2.gz UOEXMBFOLVZMIE-NSHDSACASA-N 2 0 258.366 -0.648 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418385126 353995966 /nfs/dbraw/zinc/99/59/66/353995966.db2.gz PQHAGJVTONLOGK-NSHDSACASA-N 2 0 258.366 -0.648 20 0 CBADRP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)N[C@H]1CCC[NH2+]C1 ZINC000418382608 353996077 /nfs/dbraw/zinc/99/60/77/353996077.db2.gz MLIYCJKAXLLPFV-QWHCGFSZSA-N 2 0 284.404 -0.116 20 0 CBADRP C[C@]1(C[NH2+]C[C@H]2CCCN2S(C)(=O)=O)CC[NH2+]C1 ZINC000415091367 353962972 /nfs/dbraw/zinc/96/29/72/353962972.db2.gz YZHFESZCSNIPOI-NEPJUHHUSA-N 2 0 275.418 0.000 20 0 CBADRP C[C@@]1(C[NH2+]C[C@H]2CCCN2S(C)(=O)=O)CC[NH2+]C1 ZINC000415091371 353963435 /nfs/dbraw/zinc/96/34/35/353963435.db2.gz YZHFESZCSNIPOI-VXGBXAGGSA-N 2 0 275.418 0.000 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419232041 354040300 /nfs/dbraw/zinc/04/03/00/354040300.db2.gz UBWILIKHXLUIIA-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000419245056 354041077 /nfs/dbraw/zinc/04/10/77/354041077.db2.gz VBTRRWHWHMXWMC-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000418427770 353998305 /nfs/dbraw/zinc/99/83/05/353998305.db2.gz OUDFCIFAWHKIRW-LBPRGKRZSA-N 2 0 274.409 -0.027 20 0 CBADRP CCC[NH2+]CCNC(=O)N1CCN(CCO)C[C@@H]1C ZINC000418489033 353999387 /nfs/dbraw/zinc/99/93/87/353999387.db2.gz MSUBROWIDAWFTL-LBPRGKRZSA-N 2 0 272.393 -0.306 20 0 CBADRP COCC[NH2+]CCNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000418514763 354000807 /nfs/dbraw/zinc/00/08/07/354000807.db2.gz XNOZFQFDJIYQBI-MNOVXSKESA-N 2 0 258.366 -0.386 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000418513667 354001622 /nfs/dbraw/zinc/00/16/22/354001622.db2.gz VFEATGTXZFDSFP-NEPJUHHUSA-N 2 0 272.393 -0.009 20 0 CBADRP [NH3+]C[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)C1CCCC1 ZINC000418598163 354003262 /nfs/dbraw/zinc/00/32/62/354003262.db2.gz QIKSLNXSFXZBJZ-NWDGAFQWSA-N 2 0 270.377 -0.209 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000418564979 354003269 /nfs/dbraw/zinc/00/32/69/354003269.db2.gz KLHRAHZVAPROJV-RYUDHWBXSA-N 2 0 272.393 -0.274 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000418611139 354004639 /nfs/dbraw/zinc/00/46/39/354004639.db2.gz GVRUDCFZSIXMPO-QWRGUYRKSA-N 2 0 272.393 -0.180 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418662715 354004882 /nfs/dbraw/zinc/00/48/82/354004882.db2.gz UWDHEORYOCBPBV-UONOGXRCSA-N 2 0 298.431 -0.012 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418651453 354005178 /nfs/dbraw/zinc/00/51/78/354005178.db2.gz YGERWMJVULIDCA-CHWSQXEVSA-N 2 0 297.447 -0.033 20 0 CBADRP COC[C@]1(CNC(=O)NCC[NH+](C)C)CCC[NH2+]1 ZINC000418652978 354005386 /nfs/dbraw/zinc/00/53/86/354005386.db2.gz JZSDEMAXNHRJEK-GFCCVEGCSA-N 2 0 258.366 -0.384 20 0 CBADRP COC[C@@]1(CNC(=O)N(C)CC[NH+](C)C)CCC[NH2+]1 ZINC000418653238 354005398 /nfs/dbraw/zinc/00/53/98/354005398.db2.gz KGNNSQSJPPJGTD-ZDUSSCGKSA-N 2 0 272.393 -0.042 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000418737819 354006259 /nfs/dbraw/zinc/00/62/59/354006259.db2.gz WFSCOYVXLOETAP-SRVKXCTJSA-N 2 0 272.393 -0.180 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000418737821 354006410 /nfs/dbraw/zinc/00/64/10/354006410.db2.gz WFSCOYVXLOETAP-UTUOFQBUSA-N 2 0 272.393 -0.180 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)N(CCOC)CC[NH+](C)C ZINC000418705511 354006446 /nfs/dbraw/zinc/00/64/46/354006446.db2.gz DPLWJWJQJRRMGE-LLVKDONJSA-N 2 0 260.382 -0.057 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418751469 354006828 /nfs/dbraw/zinc/00/68/28/354006828.db2.gz AMQJIWXRBYDOJT-ZDUSSCGKSA-N 2 0 285.436 -0.127 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418762173 354006952 /nfs/dbraw/zinc/00/69/52/354006952.db2.gz IQAHYMNGVHHJBI-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP CC(C)C[NH+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000418776047 354008981 /nfs/dbraw/zinc/00/89/81/354008981.db2.gz WYKLXNZRXSMMRU-ZDUSSCGKSA-N 2 0 284.404 -0.042 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418828945 354010459 /nfs/dbraw/zinc/01/04/59/354010459.db2.gz IKWAYCARFROOGL-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418831229 354010604 /nfs/dbraw/zinc/01/06/04/354010604.db2.gz UXZAKFGLRZQQQK-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCCC1 ZINC000418825519 354010729 /nfs/dbraw/zinc/01/07/29/354010729.db2.gz BSZNZNNPMACZDF-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)CCCC1 ZINC000418831759 354010897 /nfs/dbraw/zinc/01/08/97/354010897.db2.gz VHOJXQWDGWTOKT-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)CCCC1 ZINC000418839362 354011428 /nfs/dbraw/zinc/01/14/28/354011428.db2.gz WQFHZYYIINMAON-GFCCVEGCSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)CCCC1 ZINC000418842735 354011441 /nfs/dbraw/zinc/01/14/41/354011441.db2.gz QXNZWHWYIKFNBP-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000418836903 354011504 /nfs/dbraw/zinc/01/15/04/354011504.db2.gz RXXYYQWQQHAFPI-VHSXEESVSA-N 2 0 298.412 -0.070 20 0 CBADRP CC[NH+]1CCC(CCNC(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000418875180 354013624 /nfs/dbraw/zinc/01/36/24/354013624.db2.gz WBENRGARENZVOR-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000418874867 354013701 /nfs/dbraw/zinc/01/37/01/354013701.db2.gz VIDCLHSTANSROV-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)NCC[NH3+])([NH+](C)C)C1 ZINC000418925706 354015745 /nfs/dbraw/zinc/01/57/45/354015745.db2.gz RKAGBDKPWXICBF-RISCZKNCSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@H](C)C[NH2+]1 ZINC000418943931 354016915 /nfs/dbraw/zinc/01/69/15/354016915.db2.gz CISKPIMCISBIKW-FDYHWXHSSA-N 2 0 296.415 -0.206 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NCCCC[N@H+](C)C2CC2)CC[NH2+]1 ZINC000418985082 354019437 /nfs/dbraw/zinc/01/94/37/354019437.db2.gz DYZHPQSZYMMQGL-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000418989539 354020647 /nfs/dbraw/zinc/02/06/47/354020647.db2.gz UFHFSIZYBKELTG-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000419000350 354022337 /nfs/dbraw/zinc/02/23/37/354022337.db2.gz OFRXZWLLDPLFPR-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP O=C(NCCC[NH+]1CCCCC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419007680 354022784 /nfs/dbraw/zinc/02/27/84/354022784.db2.gz UTJBDRQFHIHXGZ-LBPRGKRZSA-N 2 0 282.388 -0.543 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419029775 354024907 /nfs/dbraw/zinc/02/49/07/354024907.db2.gz SCFZYEXOAMEPKC-SDDRHHMPSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000419029773 354025189 /nfs/dbraw/zinc/02/51/89/354025189.db2.gz SCFZYEXOAMEPKC-QJPTWQEYSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH3+] ZINC000419032915 354025326 /nfs/dbraw/zinc/02/53/26/354025326.db2.gz XPXVZSCFEAXUMU-GHMZBOCLSA-N 2 0 270.377 -0.702 20 0 CBADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000419031868 354025470 /nfs/dbraw/zinc/02/54/70/354025470.db2.gz UYYDTBMKUDVRJV-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000419034445 354026670 /nfs/dbraw/zinc/02/66/70/354026670.db2.gz ZNRKALYWULQLBQ-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH2+]C)C1 ZINC000419033412 354026869 /nfs/dbraw/zinc/02/68/69/354026869.db2.gz XHWJJRNPCAIVGK-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419082933 354027161 /nfs/dbraw/zinc/02/71/61/354027161.db2.gz BGZIPSFYBKVXES-UHFFFAOYSA-N 2 0 270.377 -0.687 20 0 CBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCC[NH3+] ZINC000419080882 354027712 /nfs/dbraw/zinc/02/77/12/354027712.db2.gz QKRHNOHHGITRCG-NSHDSACASA-N 2 0 270.377 -0.558 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000419112528 354028328 /nfs/dbraw/zinc/02/83/28/354028328.db2.gz VEWUWJAEPXUUFE-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419097547 354028601 /nfs/dbraw/zinc/02/86/01/354028601.db2.gz GADJAJFIHSGRJL-JTQLQIEISA-N 2 0 268.361 -0.983 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419100139 354028763 /nfs/dbraw/zinc/02/87/63/354028763.db2.gz IVMCMROMUQPWRQ-LBPRGKRZSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000419129302 354029356 /nfs/dbraw/zinc/02/93/56/354029356.db2.gz APBPZDZESXGPQJ-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000419126080 354029389 /nfs/dbraw/zinc/02/93/89/354029389.db2.gz VQZZHEWKXDGLAI-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC[NH3+])CC(C)C ZINC000419126955 354029529 /nfs/dbraw/zinc/02/95/29/354029529.db2.gz OPOINORRJPDGHO-LBPRGKRZSA-N 2 0 286.420 -0.066 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419131015 354029712 /nfs/dbraw/zinc/02/97/12/354029712.db2.gz BUWPPJHWPYTOSO-MNOVXSKESA-N 2 0 270.377 -0.737 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419279003 354043202 /nfs/dbraw/zinc/04/32/02/354043202.db2.gz BVCRSRGAOSRVSP-LLVKDONJSA-N 2 0 272.393 -0.455 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000419132218 354030308 /nfs/dbraw/zinc/03/03/08/354030308.db2.gz DPEMLKLWWHDRMP-NWDGAFQWSA-N 2 0 296.415 -0.027 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419133409 354030567 /nfs/dbraw/zinc/03/05/67/354030567.db2.gz GSBMXLHOUIFQKG-FRRDWIJNSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CC[NH2+]CC1)C(C)(C)C ZINC000419136157 354030835 /nfs/dbraw/zinc/03/08/35/354030835.db2.gz OSWOVXHSWLXVDQ-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419153386 354033290 /nfs/dbraw/zinc/03/32/90/354033290.db2.gz PSJVXHBGEJFVPT-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000419158091 354034002 /nfs/dbraw/zinc/03/40/02/354034002.db2.gz XLNXUIXDUNAAAD-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419159499 354034380 /nfs/dbraw/zinc/03/43/80/354034380.db2.gz ZIUJQFPLIACHAX-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000419221697 354037748 /nfs/dbraw/zinc/03/77/48/354037748.db2.gz KCDLEYYJRFNGJB-CYBMUJFWSA-N 2 0 296.415 -0.146 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000419219429 354038168 /nfs/dbraw/zinc/03/81/68/354038168.db2.gz HLHGQNKYKRSVRR-UHFFFAOYSA-N 2 0 268.361 -0.910 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000419561419 354061762 /nfs/dbraw/zinc/06/17/62/354061762.db2.gz SJSUVALIUJGZRR-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CCC[N@@H+]1C ZINC000419563765 354062170 /nfs/dbraw/zinc/06/21/70/354062170.db2.gz WWQMKZNZWLFUNB-JLLWLGSASA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[N@H+](C)C1CC1 ZINC000419575829 354062895 /nfs/dbraw/zinc/06/28/95/354062895.db2.gz BIBDOZGCVAPNHK-BXKDBHETSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@H]1[C@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CCC[N@@H+]1C ZINC000419566269 354063025 /nfs/dbraw/zinc/06/30/25/354063025.db2.gz ZSQVZLCUBRQFJX-NWDGAFQWSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000419585684 354063335 /nfs/dbraw/zinc/06/33/35/354063335.db2.gz LXTSSSNJRSPYDJ-WDEREUQCSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419577876 354063402 /nfs/dbraw/zinc/06/34/02/354063402.db2.gz DFUWSJGYTGNZLP-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000419581582 354063806 /nfs/dbraw/zinc/06/38/06/354063806.db2.gz INYWJVSCFRZQSZ-QWRGUYRKSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419582169 354064040 /nfs/dbraw/zinc/06/40/40/354064040.db2.gz JERYZAVKMHNHEY-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419585814 354064221 /nfs/dbraw/zinc/06/42/21/354064221.db2.gz MKVDUSPFWOVKKS-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)[N@H+](C)C1CC1 ZINC000419596037 354064949 /nfs/dbraw/zinc/06/49/49/354064949.db2.gz XLCRUBNNTUPTBI-LLVKDONJSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419593160 354065298 /nfs/dbraw/zinc/06/52/98/354065298.db2.gz SRMDFWRFCYZWPY-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000419593578 354065389 /nfs/dbraw/zinc/06/53/89/354065389.db2.gz SWMMJACYZAIGLS-WCQYABFASA-N 2 0 296.415 -0.075 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000419591372 354065406 /nfs/dbraw/zinc/06/54/06/354065406.db2.gz QXYINZOUJUSNQX-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419593158 354065587 /nfs/dbraw/zinc/06/55/87/354065587.db2.gz SRMDFWRFCYZWPY-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@H+](C)C1CC1 ZINC000419590350 354065637 /nfs/dbraw/zinc/06/56/37/354065637.db2.gz QAHAPYPCGMOVJX-WZRBSPASSA-N 2 0 294.399 -0.594 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000419877565 354087951 /nfs/dbraw/zinc/08/79/51/354087951.db2.gz REEIMCKPWGWIHO-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP CC(C)(CNC(=O)C(=O)N1CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000419661032 354068217 /nfs/dbraw/zinc/06/82/17/354068217.db2.gz DOSFPRAQLKIESR-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC[NH2+]1 ZINC000419691142 354070027 /nfs/dbraw/zinc/07/00/27/354070027.db2.gz DKJRHQVOUYPRQF-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)C1CCCC1 ZINC000419691658 354070194 /nfs/dbraw/zinc/07/01/94/354070194.db2.gz FKGGFZFMUSWXGO-LLVKDONJSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419692763 354070203 /nfs/dbraw/zinc/07/02/03/354070203.db2.gz HFHZYSUGKVLRCS-VXGBXAGGSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419701259 354071384 /nfs/dbraw/zinc/07/13/84/354071384.db2.gz ZABLFLLYBJYWFJ-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000419716099 354071519 /nfs/dbraw/zinc/07/15/19/354071519.db2.gz QCUHZDDPWQVXHW-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000419719341 354072224 /nfs/dbraw/zinc/07/22/24/354072224.db2.gz CJNNCAFWTPWJOZ-JQWIXIFHSA-N 2 0 282.388 -0.417 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419721319 354072996 /nfs/dbraw/zinc/07/29/96/354072996.db2.gz GQRDMIKOSUAGRH-NSHDSACASA-N 2 0 272.393 -0.456 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000419729181 354073204 /nfs/dbraw/zinc/07/32/04/354073204.db2.gz HHZOFFNLNVIKOT-LBPRGKRZSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000419734157 354073637 /nfs/dbraw/zinc/07/36/37/354073637.db2.gz OVBCCOCCPRJREN-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419737335 354073736 /nfs/dbraw/zinc/07/37/36/354073736.db2.gz SWEKDNOBPLGXSS-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419733014 354073867 /nfs/dbraw/zinc/07/38/67/354073867.db2.gz NNHIRUGXGYFVQO-SNVBAGLBSA-N 2 0 258.366 -0.750 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419730913 354074046 /nfs/dbraw/zinc/07/40/46/354074046.db2.gz KSGNMGIDBJCMFS-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000419737899 354074116 /nfs/dbraw/zinc/07/41/16/354074116.db2.gz UERZTFRRVRUWCF-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000419739254 354074153 /nfs/dbraw/zinc/07/41/53/354074153.db2.gz VYXQBCQGFYKAMI-OLZOCXBDSA-N 2 0 298.431 -0.112 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000419741278 354074633 /nfs/dbraw/zinc/07/46/33/354074633.db2.gz YWKMUGKBIBUYCZ-CYBMUJFWSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419741766 354074671 /nfs/dbraw/zinc/07/46/71/354074671.db2.gz ZOLUHZGOSPQLJY-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419759140 354074735 /nfs/dbraw/zinc/07/47/35/354074735.db2.gz GETHAGIOSMZHOZ-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000419740894 354074984 /nfs/dbraw/zinc/07/49/84/354074984.db2.gz YOJXXTFHFDGDTE-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000419766544 354075567 /nfs/dbraw/zinc/07/55/67/354075567.db2.gz RMTGJLSAXUNMAS-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419768229 354076308 /nfs/dbraw/zinc/07/63/08/354076308.db2.gz UBUCVAWAZOBXTI-NSHDSACASA-N 2 0 272.393 -0.312 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419767164 354076457 /nfs/dbraw/zinc/07/64/57/354076457.db2.gz SFKUNXFOISHMFM-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419776151 354077033 /nfs/dbraw/zinc/07/70/33/354077033.db2.gz JJHQSEPFBRNHEA-GHMZBOCLSA-N 2 0 272.393 -0.456 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000419774930 354077154 /nfs/dbraw/zinc/07/71/54/354077154.db2.gz KFJUJMKZZCOGEN-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000419779049 354077260 /nfs/dbraw/zinc/07/72/60/354077260.db2.gz PDOXBVIQPALZCG-LLVKDONJSA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000419779051 354077647 /nfs/dbraw/zinc/07/76/47/354077647.db2.gz PDOXBVIQPALZCG-NSHDSACASA-N 2 0 284.404 -0.441 20 0 CBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419780242 354077688 /nfs/dbraw/zinc/07/76/88/354077688.db2.gz QNOYFHMEDJRNOE-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000419813304 354079564 /nfs/dbraw/zinc/07/95/64/354079564.db2.gz GWQJHQSBYPHEIG-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C[NH+]1CCCC1 ZINC000419823622 354080427 /nfs/dbraw/zinc/08/04/27/354080427.db2.gz MDPVEDGTRGZHBB-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000419821763 354080548 /nfs/dbraw/zinc/08/05/48/354080548.db2.gz LACNOTOGEROKMO-JHJVBQTASA-N 2 0 294.399 -0.450 20 0 CBADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCCC[NH3+] ZINC000419831120 354081246 /nfs/dbraw/zinc/08/12/46/354081246.db2.gz LITWJYBNGDMBOC-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000419837165 354081921 /nfs/dbraw/zinc/08/19/21/354081921.db2.gz WHRVQLZQQNQFOJ-OLZOCXBDSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419835988 354082010 /nfs/dbraw/zinc/08/20/10/354082010.db2.gz BCPWUNQIZDNDPM-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NCCC[NH3+] ZINC000419836884 354082302 /nfs/dbraw/zinc/08/23/02/354082302.db2.gz YMGNWGFMTJOSFD-UHFFFAOYSA-N 2 0 272.393 -0.358 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)C[NH+]1CCCC1 ZINC000419837596 354082330 /nfs/dbraw/zinc/08/23/30/354082330.db2.gz WRYKFZHWSWAFIC-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])C[NH+]1CCCC1 ZINC000419839925 354082960 /nfs/dbraw/zinc/08/29/60/354082960.db2.gz YYQVJJZBWPLOCX-LLVKDONJSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCCC[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000419841790 354083337 /nfs/dbraw/zinc/08/33/37/354083337.db2.gz UTZWGXZYMFPOHA-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)C[NH+]1CCCC1 ZINC000419838233 354083401 /nfs/dbraw/zinc/08/34/01/354083401.db2.gz XNMOTWSSNAXGJY-WCQYABFASA-N 2 0 296.415 -0.312 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419847372 354084169 /nfs/dbraw/zinc/08/41/69/354084169.db2.gz SZRQLIDZZRKOGY-CHWSQXEVSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419857064 354085367 /nfs/dbraw/zinc/08/53/67/354085367.db2.gz UEFLAQQLSGVRDT-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419858553 354085693 /nfs/dbraw/zinc/08/56/93/354085693.db2.gz IFTGGAGRJYMGLU-LBPRGKRZSA-N 2 0 282.388 -0.606 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419852743 354085813 /nfs/dbraw/zinc/08/58/13/354085813.db2.gz LYVFMFMMNMLVSQ-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000419863286 354086414 /nfs/dbraw/zinc/08/64/14/354086414.db2.gz CKYBAMGKRFDQSA-UHFFFAOYSA-N 2 0 270.377 -0.734 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419870769 354087016 /nfs/dbraw/zinc/08/70/16/354087016.db2.gz SKFKXJLJZQZEQI-LBPRGKRZSA-N 2 0 284.404 -0.362 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419290011 354044353 /nfs/dbraw/zinc/04/43/53/354044353.db2.gz UUIHIEINEQKSJH-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000419287772 354044509 /nfs/dbraw/zinc/04/45/09/354044509.db2.gz QMOUAAWOQUODME-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419286915 354044957 /nfs/dbraw/zinc/04/49/57/354044957.db2.gz PAAQGPBTHOMGEE-NSHDSACASA-N 2 0 272.393 -0.312 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000419315583 354045598 /nfs/dbraw/zinc/04/55/98/354045598.db2.gz KGVCIGNCFNYQPU-DMDPSCGWSA-N 2 0 296.415 -0.173 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000419319119 354045735 /nfs/dbraw/zinc/04/57/35/354045735.db2.gz OKGBFKJCZLYAQB-WOPDTQHZSA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C[N@@H+]1C1CC1 ZINC000419322081 354045923 /nfs/dbraw/zinc/04/59/23/354045923.db2.gz RULDIKWFSRJBCF-XWIASGKRSA-N 2 0 294.399 -0.419 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C[N@@H+]1C1CC1 ZINC000419317468 354046105 /nfs/dbraw/zinc/04/61/05/354046105.db2.gz MUJGTFXBXAOBCB-WOPDTQHZSA-N 2 0 294.399 -0.452 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000419322403 354046301 /nfs/dbraw/zinc/04/63/01/354046301.db2.gz SIBHVNDBHQGFJC-GHMZBOCLSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000419338382 354047111 /nfs/dbraw/zinc/04/71/11/354047111.db2.gz SJKQQXVSBRGNNX-CMPLNLGQSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000419403015 354050880 /nfs/dbraw/zinc/05/08/80/354050880.db2.gz CZCLNDPKKYNWTD-WCQYABFASA-N 2 0 296.415 -0.312 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419415009 354052433 /nfs/dbraw/zinc/05/24/33/354052433.db2.gz FPJUNQHRHSZHLS-BETUJISGSA-N 2 0 298.431 -0.194 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000419410006 354052461 /nfs/dbraw/zinc/05/24/61/354052461.db2.gz NWTALLJIIPRYNG-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000419413157 354052703 /nfs/dbraw/zinc/05/27/03/354052703.db2.gz CZUIEBXYMLQNAO-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419414013 354052744 /nfs/dbraw/zinc/05/27/44/354052744.db2.gz DRXCLXIJBLMPJC-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000419411615 354052761 /nfs/dbraw/zinc/05/27/61/354052761.db2.gz QCMHNKZEZJDWCH-GFCCVEGCSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419416993 354053089 /nfs/dbraw/zinc/05/30/89/354053089.db2.gz HMGCVOQJYQPYQF-LBPRGKRZSA-N 2 0 296.415 -0.025 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000419417170 354053424 /nfs/dbraw/zinc/05/34/24/354053424.db2.gz WYMYWCAGPIMEGW-RWMBFGLXSA-N 2 0 298.431 -0.066 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)C1CC1 ZINC000419502246 354056845 /nfs/dbraw/zinc/05/68/45/354056845.db2.gz CLYLYFYVGBLMKZ-WCQYABFASA-N 2 0 296.415 -0.299 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CCC(C[NH3+])CC1)C1CC1 ZINC000419520976 354057311 /nfs/dbraw/zinc/05/73/11/354057311.db2.gz JGPUWTCRUVVHKP-UHFFFAOYSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419521226 354057492 /nfs/dbraw/zinc/05/74/92/354057492.db2.gz JOIFGMDZZXTFFX-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CCC[NH2+]C ZINC000419521565 354057575 /nfs/dbraw/zinc/05/75/75/354057575.db2.gz KGGXCIAJOXRXDQ-LBPRGKRZSA-N 2 0 286.420 -0.099 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419521227 354057618 /nfs/dbraw/zinc/05/76/18/354057618.db2.gz JOIFGMDZZXTFFX-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)C1CC1 ZINC000419522647 354057673 /nfs/dbraw/zinc/05/76/73/354057673.db2.gz MYQUMERBLSMCBD-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)C1CC1 ZINC000419524538 354058081 /nfs/dbraw/zinc/05/80/81/354058081.db2.gz QAOYJGHSBMGGLQ-LBPRGKRZSA-N 2 0 282.388 -0.560 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419524517 354058454 /nfs/dbraw/zinc/05/84/54/354058454.db2.gz PXLGORROQHOYSO-NEPJUHHUSA-N 2 0 286.420 -0.195 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419528032 354058653 /nfs/dbraw/zinc/05/86/53/354058653.db2.gz VUDDCPRTFHDCJV-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419525650 354058767 /nfs/dbraw/zinc/05/87/67/354058767.db2.gz RXFLMGFSNBYGOS-ZYHUDNBSSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000419530768 354059283 /nfs/dbraw/zinc/05/92/83/354059283.db2.gz ZKLOVVVWCYSKGP-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000419536611 354059622 /nfs/dbraw/zinc/05/96/22/354059622.db2.gz AXSVKOJQDSNTMS-MNOVXSKESA-N 2 0 286.420 -0.068 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000419540112 354059786 /nfs/dbraw/zinc/05/97/86/354059786.db2.gz BXOJFDOXNDVCDO-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CCC[N@@H+]1C ZINC000419544332 354060060 /nfs/dbraw/zinc/06/00/60/354060060.db2.gz HLCGVNRNEZOEBJ-QJPTWQEYSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H](NC(=O)C(=O)N(C)CC[NH3+])C(C)(C)C[NH+](C)C ZINC000419549745 354060178 /nfs/dbraw/zinc/06/01/78/354060178.db2.gz UEZYDPBCEYUFEO-SNVBAGLBSA-N 2 0 272.393 -0.504 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000419560493 354060948 /nfs/dbraw/zinc/06/09/48/354060948.db2.gz RAPAMRCJJAYMMO-VOAKCMCISA-N 2 0 296.415 -0.301 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419888511 354089646 /nfs/dbraw/zinc/08/96/46/354089646.db2.gz FVRPEGCKGTWMQX-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000419887818 354089745 /nfs/dbraw/zinc/08/97/45/354089745.db2.gz JGRCABHAZQPNCZ-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419889809 354089966 /nfs/dbraw/zinc/08/99/66/354089966.db2.gz SDMBBSMPNJRBFJ-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000419887816 354089989 /nfs/dbraw/zinc/08/99/89/354089989.db2.gz JGRCABHAZQPNCZ-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000419906376 354092993 /nfs/dbraw/zinc/09/29/93/354092993.db2.gz ZYJJINXXOOJVOM-UHFFFAOYSA-N 2 0 282.388 -0.591 20 0 CBADRP CCN1C[C@@H](C)N(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000419914120 354093599 /nfs/dbraw/zinc/09/35/99/354093599.db2.gz RWGAUYKWJZZKBE-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP CCN1C[C@@H](C)N(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000419914121 354093724 /nfs/dbraw/zinc/09/37/24/354093724.db2.gz RWGAUYKWJZZKBE-XQQFMLRXSA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419940368 354094325 /nfs/dbraw/zinc/09/43/25/354094325.db2.gz KPDCYKNTYDNQDS-LLVKDONJSA-N 2 0 272.393 -0.504 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000419937600 354094363 /nfs/dbraw/zinc/09/43/63/354094363.db2.gz WACNJPHKMJDJDU-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000419936872 354094407 /nfs/dbraw/zinc/09/44/07/354094407.db2.gz LVMPGLYDLRNROV-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000419948661 354095339 /nfs/dbraw/zinc/09/53/39/354095339.db2.gz KLWYTKWGASYYNW-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419944403 354095395 /nfs/dbraw/zinc/09/53/95/354095395.db2.gz AQPWLCAXRRNGBK-GFCCVEGCSA-N 2 0 286.420 -0.256 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000419945100 354095567 /nfs/dbraw/zinc/09/55/67/354095567.db2.gz BZSJHJUEVXJNMT-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419953553 354096332 /nfs/dbraw/zinc/09/63/32/354096332.db2.gz PVXQWFIHTXCIAN-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419958165 354097591 /nfs/dbraw/zinc/09/75/91/354097591.db2.gz PYCVRYYKDSKJEE-NSHDSACASA-N 2 0 272.393 -0.455 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000419966386 354098097 /nfs/dbraw/zinc/09/80/97/354098097.db2.gz ZQZXQYWRXDMJHP-WDEREUQCSA-N 2 0 270.377 -0.750 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000419964250 354098136 /nfs/dbraw/zinc/09/81/36/354098136.db2.gz XAUFGLMSLYCWCH-LLVKDONJSA-N 2 0 270.377 -0.748 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C(C)C ZINC000419973943 354099045 /nfs/dbraw/zinc/09/90/45/354099045.db2.gz JSMFEBDFAVAHHJ-GFCCVEGCSA-N 2 0 286.420 -0.068 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419991456 354100415 /nfs/dbraw/zinc/10/04/15/354100415.db2.gz DJUXKKBGDCCDNS-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419991454 354100490 /nfs/dbraw/zinc/10/04/90/354100490.db2.gz DJUXKKBGDCCDNS-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000419998008 354100913 /nfs/dbraw/zinc/10/09/13/354100913.db2.gz MHKIXVSFCBIHMT-RYUDHWBXSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000420012796 354102154 /nfs/dbraw/zinc/10/21/54/354102154.db2.gz JUEBIFWOHHQKDQ-UTUOFQBUSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000420012374 354102162 /nfs/dbraw/zinc/10/21/62/354102162.db2.gz JAGODJVNDQJJHV-LLVKDONJSA-N 2 0 282.388 -0.463 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000420022211 354103062 /nfs/dbraw/zinc/10/30/62/354103062.db2.gz VLYBIOUXBFVQOL-SNVBAGLBSA-N 2 0 258.366 -0.894 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420062868 354106194 /nfs/dbraw/zinc/10/61/94/354106194.db2.gz MPGREOFQIJUWGO-GFCCVEGCSA-N 2 0 284.404 -0.362 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420063671 354106705 /nfs/dbraw/zinc/10/67/05/354106705.db2.gz NPKDLZOZJIHUJV-ZDUSSCGKSA-N 2 0 298.431 -0.114 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420068065 354106943 /nfs/dbraw/zinc/10/69/43/354106943.db2.gz UCESIMWXNBZCEF-CYBMUJFWSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420068066 354107247 /nfs/dbraw/zinc/10/72/47/354107247.db2.gz UCESIMWXNBZCEF-ZDUSSCGKSA-N 2 0 296.415 -0.217 20 0 CBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420074268 354107343 /nfs/dbraw/zinc/10/73/43/354107343.db2.gz HKBJKBOMIRJJQP-UHFFFAOYSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000420109722 354109214 /nfs/dbraw/zinc/10/92/14/354109214.db2.gz DSXBQVFIEJZVFS-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000420137253 354110623 /nfs/dbraw/zinc/11/06/23/354110623.db2.gz DLDVRLDTZNKTGB-RWMBFGLXSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000420141093 354111936 /nfs/dbraw/zinc/11/19/36/354111936.db2.gz JETFXMRYXBKURQ-JHJVBQTASA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000420149334 354113186 /nfs/dbraw/zinc/11/31/86/354113186.db2.gz VBLRUGPFNZZIAN-WDEREUQCSA-N 2 0 270.377 -0.879 20 0 CBADRP C[C@@H]([NH3+])CCNc1cc(N2CCN(C)C(=O)C2)ncn1 ZINC000420161174 354115132 /nfs/dbraw/zinc/11/51/32/354115132.db2.gz VXIBGURCTNMHQM-SNVBAGLBSA-N 2 0 278.360 -0.096 20 0 CBADRP COC(=O)CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000420302338 354121666 /nfs/dbraw/zinc/12/16/66/354121666.db2.gz FSVUVHJYJMYAJM-SRVKXCTJSA-N 2 0 283.372 -0.275 20 0 CBADRP CCOC(=O)CC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000420294520 354121797 /nfs/dbraw/zinc/12/17/97/354121797.db2.gz OREKPVXSWXXIGU-LLVKDONJSA-N 2 0 271.361 -0.274 20 0 CBADRP NS(=O)(=O)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420327343 354122447 /nfs/dbraw/zinc/12/24/47/354122447.db2.gz YKFOFUBYPAWMLX-LLVKDONJSA-N 2 0 276.406 -0.803 20 0 CBADRP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321577 354122642 /nfs/dbraw/zinc/12/26/42/354122642.db2.gz CXCCWKFAGZBLCU-STQMWFEESA-N 2 0 297.399 -0.013 20 0 CBADRP COc1ccc([C@H](C[NH3+])CN(CC[NH3+])CCO)cc1 ZINC000420307841 354122990 /nfs/dbraw/zinc/12/29/90/354122990.db2.gz MVRINZSYKTWHHE-CYBMUJFWSA-N 2 0 267.373 -0.010 20 0 CBADRP CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420313558 354123040 /nfs/dbraw/zinc/12/30/40/354123040.db2.gz UMKRLFHTOQTVSV-GHMZBOCLSA-N 2 0 263.407 -0.015 20 0 CBADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCNC(=O)C1 ZINC000420345927 354124452 /nfs/dbraw/zinc/12/44/52/354124452.db2.gz WVXDKIMSGLYJTC-STQMWFEESA-N 2 0 294.399 -0.734 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)C1(C(N)=O)CCCC1 ZINC000420352452 354125860 /nfs/dbraw/zinc/12/58/60/354125860.db2.gz APJZWLDFKWYCPG-UHFFFAOYSA-N 2 0 254.378 -0.379 20 0 CBADRP C[C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000420401255 354126605 /nfs/dbraw/zinc/12/66/05/354126605.db2.gz IYZZJEXGNPKTHO-QWHCGFSZSA-N 3 0 268.405 -0.275 20 0 CBADRP CCN1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)CC1=O ZINC000420380418 354127209 /nfs/dbraw/zinc/12/72/09/354127209.db2.gz WPLWRBQDKXLEBJ-UHFFFAOYSA-N 2 0 282.388 -0.638 20 0 CBADRP CC(C)C(=O)NCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000420375856 354127237 /nfs/dbraw/zinc/12/72/37/354127237.db2.gz PYHHBJOGIMEJDT-UHFFFAOYSA-N 2 0 256.394 -0.404 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000423233867 354165280 /nfs/dbraw/zinc/16/52/80/354165280.db2.gz KPSCQFJNUFAYIW-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000423233868 354165436 /nfs/dbraw/zinc/16/54/36/354165436.db2.gz KPSCQFJNUFAYIW-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000423231630 354165594 /nfs/dbraw/zinc/16/55/94/354165594.db2.gz HDAZYLJUDIYLCS-VXGBXAGGSA-N 2 0 282.388 -0.641 20 0 CBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423302413 354168319 /nfs/dbraw/zinc/16/83/19/354168319.db2.gz HLDIIZZSPOGCQV-ZDUSSCGKSA-N 2 0 296.415 -0.120 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000423363874 354172709 /nfs/dbraw/zinc/17/27/09/354172709.db2.gz CBGFGJIRJUXNMT-AGIUHOORSA-N 2 0 296.415 -0.170 20 0 CBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423376098 354173890 /nfs/dbraw/zinc/17/38/90/354173890.db2.gz ALTSIKRXYHOFPC-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000423394069 354174974 /nfs/dbraw/zinc/17/49/74/354174974.db2.gz ZLAGWKBZVWXQBH-NEPJUHHUSA-N 2 0 255.362 -0.049 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000423442705 354176311 /nfs/dbraw/zinc/17/63/11/354176311.db2.gz ZKRDHGYOAJLMMI-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000422961633 354158449 /nfs/dbraw/zinc/15/84/49/354158449.db2.gz CPJAOUSKMQCGQS-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422972967 354158629 /nfs/dbraw/zinc/15/86/29/354158629.db2.gz NGEVKSJNIYEGLK-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000422974697 354158785 /nfs/dbraw/zinc/15/87/85/354158785.db2.gz RSYLASQDCPUNKG-NSHDSACASA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)C[C@H](C)[NH2+]1 ZINC000423515633 354178263 /nfs/dbraw/zinc/17/82/63/354178263.db2.gz FVWUOOHUPVVNSO-TXEJJXNPSA-N 2 0 296.415 -0.252 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)CCC[NH2+]C)C1 ZINC000423061280 354161534 /nfs/dbraw/zinc/16/15/34/354161534.db2.gz QKMGSBKBABNNQN-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000423060842 354161664 /nfs/dbraw/zinc/16/16/64/354161664.db2.gz PGNSLZXFHUZUNB-UHFFFAOYSA-N 2 0 282.388 -0.510 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C(C)C)C1 ZINC000423517938 354179065 /nfs/dbraw/zinc/17/90/65/354179065.db2.gz USCLLTKQOQMKNX-LBPRGKRZSA-N 2 0 284.404 -0.395 20 0 CBADRP CC(C)NC(=O)CN(C)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000423558219 354179437 /nfs/dbraw/zinc/17/94/37/354179437.db2.gz LBAKXSMYEZRJNW-VXGBXAGGSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C[C@H](C)[NH2+]1 ZINC000423568191 354180898 /nfs/dbraw/zinc/18/08/98/354180898.db2.gz RMLJKZSYLLZMHQ-FRRDWIJNSA-N 2 0 296.415 -0.395 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000423586714 354181336 /nfs/dbraw/zinc/18/13/36/354181336.db2.gz DXMRRHRFWHQIBI-QWHCGFSZSA-N 2 0 296.415 -0.252 20 0 CBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423579098 354182032 /nfs/dbraw/zinc/18/20/32/354182032.db2.gz NLZSIKZBRNXHCH-UHFFFAOYSA-N 2 0 282.388 -0.639 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423596460 354182861 /nfs/dbraw/zinc/18/28/61/354182861.db2.gz RVDSYFHLZVEENB-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423611612 354184486 /nfs/dbraw/zinc/18/44/86/354184486.db2.gz SFZWOYLCMDGBTB-NSHDSACASA-N 2 0 282.388 -0.641 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000423612255 354184763 /nfs/dbraw/zinc/18/47/63/354184763.db2.gz OYVZGDTXHVBTQA-UHFFFAOYSA-N 2 0 282.388 -0.639 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423611611 354185051 /nfs/dbraw/zinc/18/50/51/354185051.db2.gz SFZWOYLCMDGBTB-LLVKDONJSA-N 2 0 282.388 -0.641 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423652223 354189232 /nfs/dbraw/zinc/18/92/32/354189232.db2.gz NDEPQBBYVUVOTP-NWDGAFQWSA-N 2 0 296.415 -0.252 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1COCCN1CC1CCC1 ZINC000423665659 354190419 /nfs/dbraw/zinc/19/04/19/354190419.db2.gz KETBVOHETSPNEG-RQJABVFESA-N 2 0 279.384 -0.179 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000423694363 354191702 /nfs/dbraw/zinc/19/17/02/354191702.db2.gz ATSBAIMOICXDHE-ZDUSSCGKSA-N 2 0 273.340 -0.032 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000423716690 354194142 /nfs/dbraw/zinc/19/41/42/354194142.db2.gz IVTVVMHUWAXOKF-STQMWFEESA-N 2 0 296.415 -0.121 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)CCOC1C[NH2+]C1 ZINC000423746750 354196172 /nfs/dbraw/zinc/19/61/72/354196172.db2.gz ROENRZIAOQAJOF-UHFFFAOYSA-N 2 0 273.377 -0.599 20 0 CBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000423748335 354196829 /nfs/dbraw/zinc/19/68/29/354196829.db2.gz UHFKHTOXRRENTE-UONOGXRCSA-N 2 0 280.416 -0.023 20 0 CBADRP COCC[C@@]1(C(=O)N2CCO[C@H](C[NH+](C)C)C2)CC[NH2+]C1 ZINC000423755646 354197125 /nfs/dbraw/zinc/19/71/25/354197125.db2.gz KCWJXTMSWNSFEU-HIFRSBDPSA-N 2 0 299.415 -0.208 20 0 CBADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)COC1C[NH2+]C1 ZINC000423768302 354199183 /nfs/dbraw/zinc/19/91/83/354199183.db2.gz DCVCAXWDOAQQOW-LBPRGKRZSA-N 2 0 255.362 -0.227 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)CCOC1C[NH2+]C1 ZINC000423852093 354201957 /nfs/dbraw/zinc/20/19/57/354201957.db2.gz RXJICSYCYMVXFH-UHFFFAOYSA-N 2 0 255.362 -0.083 20 0 CBADRP [NH3+]C[C@@H](NC(=O)CCOC1C[NH2+]C1)C1CCCC1 ZINC000423935889 354205513 /nfs/dbraw/zinc/20/55/13/354205513.db2.gz BDWOGSMOHHKENN-GFCCVEGCSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@H]1CCN(C(=O)CCOC2C[NH2+]C2)C[C@@H]1C[NH3+] ZINC000424000767 354207035 /nfs/dbraw/zinc/20/70/35/354207035.db2.gz OPFIFZIYBNERCB-QWRGUYRKSA-N 2 0 255.362 -0.192 20 0 CBADRP C[C@@H]1CCN(C(=O)CCOC2C[NH2+]C2)C[C@H]1C[NH3+] ZINC000424000764 354207339 /nfs/dbraw/zinc/20/73/39/354207339.db2.gz OPFIFZIYBNERCB-GHMZBOCLSA-N 2 0 255.362 -0.192 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000424141116 354210821 /nfs/dbraw/zinc/21/08/21/354210821.db2.gz GVHAJDFXMWUEGJ-KKOKHZNYSA-N 2 0 255.362 -0.363 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2C[C@@H]2[NH3+])C[C@@H](C)O1 ZINC000424133946 354211107 /nfs/dbraw/zinc/21/11/07/354211107.db2.gz MZMVTPULENXTSA-KKOKHZNYSA-N 2 0 255.362 -0.051 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000424150750 354211735 /nfs/dbraw/zinc/21/17/35/354211735.db2.gz ZIZMYXPMYTYWED-KGYLQXTDSA-N 2 0 267.373 -0.049 20 0 CBADRP CC[N@H+](C)CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424157070 354212434 /nfs/dbraw/zinc/21/24/34/354212434.db2.gz PBJQVSQDERVOMM-LLVKDONJSA-N 2 0 280.376 -0.116 20 0 CBADRP COCC[NH2+]CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424156997 354212525 /nfs/dbraw/zinc/21/25/25/354212525.db2.gz QDYJRFKGJMGEBU-NSHDSACASA-N 2 0 296.375 -0.832 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424177111 354215051 /nfs/dbraw/zinc/21/50/51/354215051.db2.gz PLXUSHPWXVJXFV-UWVGGRQHSA-N 2 0 266.349 -0.330 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423510691 354178389 /nfs/dbraw/zinc/17/83/89/354178389.db2.gz POHGFBCDALQAJI-LBPRGKRZSA-N 2 0 284.404 -0.265 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000423501542 354178552 /nfs/dbraw/zinc/17/85/52/354178552.db2.gz CVGSNWCCLJIHKP-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000430901676 354250532 /nfs/dbraw/zinc/25/05/32/354250532.db2.gz VYJCMQDOBHGGCF-UWVGGRQHSA-N 2 0 256.350 -0.820 20 0 CBADRP CC[C@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000431012544 354251374 /nfs/dbraw/zinc/25/13/74/354251374.db2.gz FYXDIQOJHGQDOH-RYUDHWBXSA-N 2 0 256.394 -0.277 20 0 CBADRP CCS(=O)(=O)NCC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430925539 354251656 /nfs/dbraw/zinc/25/16/56/354251656.db2.gz DGDCVQZGROGTPA-SNVBAGLBSA-N 2 0 263.407 -0.015 20 0 CBADRP CN(C(=O)[C@H]1C[C@H](O)C[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000432510038 354252311 /nfs/dbraw/zinc/25/23/11/354252311.db2.gz BALMCPJXMAADGJ-GRYCIOLGSA-N 2 0 253.346 -0.596 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)C[NH+]1CCN(C)CC1 ZINC000444264051 354266632 /nfs/dbraw/zinc/26/66/32/354266632.db2.gz BSIZCCMCCBBMGJ-IIAWOOMASA-N 2 0 294.443 -0.014 20 0 CBADRP Cn1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(=O)n(C)c1=O ZINC000442920585 354259047 /nfs/dbraw/zinc/25/90/47/354259047.db2.gz HDFYPPMKKKQMPI-NSHDSACASA-N 2 0 280.372 -0.355 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000424214430 354219263 /nfs/dbraw/zinc/21/92/63/354219263.db2.gz CKAAMJZKXQQXNK-UTUOFQBUSA-N 2 0 282.388 -0.369 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424222861 354220439 /nfs/dbraw/zinc/22/04/39/354220439.db2.gz GACIUBZTQRYQKB-QJPTWQEYSA-N 2 0 265.361 -0.344 20 0 CBADRP CCC[NH2+]CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424482886 354226490 /nfs/dbraw/zinc/22/64/90/354226490.db2.gz VVJWJAHEZHDNAF-QWHCGFSZSA-N 2 0 294.403 -0.144 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000446360383 354286404 /nfs/dbraw/zinc/28/64/04/354286404.db2.gz ROICQMRQQYKBCG-DLOVCJGASA-N 2 0 253.346 -0.426 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000447442396 354298432 /nfs/dbraw/zinc/29/84/32/354298432.db2.gz QBRFDGIRYRJEJA-KGLIPLIRSA-N 2 0 299.415 -0.079 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000447438389 354298829 /nfs/dbraw/zinc/29/88/29/354298829.db2.gz FGPOFJMRZONWAG-PWSUYJOCSA-N 2 0 275.418 -0.096 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[C@]12CC[NH2+]C2)N1CC[NH+](C)CC1 ZINC000444270367 354267268 /nfs/dbraw/zinc/26/72/68/354267268.db2.gz OZUMXCAYWCAFFB-NFAWXSAZSA-N 2 0 280.416 -0.262 20 0 CBADRP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC[NH2+]3)cn2)CC1 ZINC000444271651 354267324 /nfs/dbraw/zinc/26/73/24/354267324.db2.gz VASYEXIKDBEQCI-CYBMUJFWSA-N 2 0 289.383 -0.189 20 0 CBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000262651528 137722427 /nfs/dbraw/zinc/72/24/27/137722427.db2.gz AMHORJZCAUWCKI-ZIAGYGMSSA-N 2 0 299.415 -0.066 20 0 CBADRP C[C@@H]1CN([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C[C@H](C)[N@H+]1C ZINC000448554648 354315628 /nfs/dbraw/zinc/31/56/28/354315628.db2.gz IJMBFQFRUZJFCJ-FRRDWIJNSA-N 2 0 296.415 -0.300 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449091378 354317260 /nfs/dbraw/zinc/31/72/60/354317260.db2.gz QEIRCKPOYAAGON-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000449059064 354317909 /nfs/dbraw/zinc/31/79/09/354317909.db2.gz OKZYVCQJACNBMC-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C1(C[NH3+])CCC1 ZINC000449685039 354320918 /nfs/dbraw/zinc/32/09/18/354320918.db2.gz MQSBXWRKERHFGC-GFCCVEGCSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC000459895190 354392366 /nfs/dbraw/zinc/39/23/66/354392366.db2.gz KDDVVOGICSCOTA-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC(C)(C)C[NH+](C)C)CC1=O ZINC000457202399 354369868 /nfs/dbraw/zinc/36/98/68/354369868.db2.gz HJPDKTMEVJHNGO-LBPRGKRZSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CN(C)CCO2)CC[NH2+]1 ZINC000478924298 354406674 /nfs/dbraw/zinc/40/66/74/354406674.db2.gz GYYRSHZLOSBCMG-SRVKXCTJSA-N 2 0 255.362 -0.179 20 0 CBADRP CC1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C[NH2+]C1 ZINC000514672049 354554885 /nfs/dbraw/zinc/55/48/85/354554885.db2.gz IZOQMCFDITWAIY-NEPJUHHUSA-N 2 0 267.373 -0.049 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000516463176 354557169 /nfs/dbraw/zinc/55/71/69/354557169.db2.gz UCTMMJAZMHBNJP-GRYCIOLGSA-N 2 0 283.372 -0.181 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000518532088 354558462 /nfs/dbraw/zinc/55/84/62/354558462.db2.gz UQIWXDOIZBPIRK-PWSUYJOCSA-N 2 0 253.346 -0.425 20 0 CBADRP C[NH2+]CCNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000519398357 354560694 /nfs/dbraw/zinc/56/06/94/354560694.db2.gz UEDROHXXRAJROZ-NSHDSACASA-N 2 0 251.334 -0.243 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000519403078 354560955 /nfs/dbraw/zinc/56/09/55/354560955.db2.gz PXIAKVYYYBICNC-NEPJUHHUSA-N 2 0 253.346 -0.282 20 0 CBADRP C[N@@H+]1CCC[C@@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000519543823 354562648 /nfs/dbraw/zinc/56/26/48/354562648.db2.gz NFVMNULNTQGVJG-STQMWFEESA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@]2(O)C[NH+]3CCC2CC3)C1 ZINC000519551353 354563858 /nfs/dbraw/zinc/56/38/58/354563858.db2.gz LXXBASAIAWJQDD-DOMZBBRYSA-N 2 0 281.400 -0.099 20 0 CBADRP COC(=O)CN1CCC[C@@H](CNC(=O)C2([NH3+])CCC2)C1 ZINC000519644105 354565460 /nfs/dbraw/zinc/56/54/60/354565460.db2.gz LEIDKJLMGAXDJF-NSHDSACASA-N 2 0 283.372 -0.131 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)C[NH2+]CC3CC3)C2)nn1 ZINC000520405341 354566444 /nfs/dbraw/zinc/56/64/44/354566444.db2.gz HQZWQMKHWGMEQJ-CYBMUJFWSA-N 2 0 292.387 -0.100 20 0 CBADRP CCOCC[C@H](O)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000520568613 354568710 /nfs/dbraw/zinc/56/87/10/354568710.db2.gz AGTVKZVGTBHZGU-KGLIPLIRSA-N 2 0 273.421 -0.001 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529308980 354583847 /nfs/dbraw/zinc/58/38/47/354583847.db2.gz XIIWPVRNHUKBCT-QWHCGFSZSA-N 2 0 295.431 -0.184 20 0 CBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529388451 354584728 /nfs/dbraw/zinc/58/47/28/354584728.db2.gz OQPDEGUJEUCEAS-GMTAPVOTSA-N 2 0 256.350 -0.647 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2COCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000529316831 354585014 /nfs/dbraw/zinc/58/50/14/354585014.db2.gz PLMSZLLITFHQKN-UTUOFQBUSA-N 2 0 282.388 -0.101 20 0 CBADRP [NH3+]CC1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529390509 354585560 /nfs/dbraw/zinc/58/55/60/354585560.db2.gz VGJOXAXBCLMGOV-LLVKDONJSA-N 2 0 256.350 -0.645 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C1CC1 ZINC000534266061 354596101 /nfs/dbraw/zinc/59/61/01/354596101.db2.gz GGRNFZVKNHOWTA-ZIAGYGMSSA-N 2 0 280.416 -0.167 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)[NH+]1CCCC1 ZINC000534268720 354596556 /nfs/dbraw/zinc/59/65/56/354596556.db2.gz UJRIBIUTYPJBIJ-ZIAGYGMSSA-N 2 0 280.416 -0.023 20 0 CBADRP C[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1cncn1 ZINC000542780524 354633446 /nfs/dbraw/zinc/63/34/46/354633446.db2.gz PHHQKEUFBDPFDJ-LBPRGKRZSA-N 2 0 282.392 -0.209 20 0 CBADRP C[NH+]1CCC[C@H]1CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000546591308 354653497 /nfs/dbraw/zinc/65/34/97/354653497.db2.gz ZQZLFFCETFMGCW-AAEUAGOBSA-N 2 0 270.377 -0.554 20 0 CBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000557265148 354685969 /nfs/dbraw/zinc/68/59/69/354685969.db2.gz AFDKLHAZIAWMLM-TUAOUCFPSA-N 2 0 296.415 -0.443 20 0 CBADRP COC[C@]1(CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])CCC[NH2+]1 ZINC000562815796 354688353 /nfs/dbraw/zinc/68/83/53/354688353.db2.gz BFHSNTYVUDCHCD-GXTWGEPZSA-N 2 0 299.419 -0.961 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCN2C)C[C@H](C)[N@H+]1C ZINC000562821073 354688789 /nfs/dbraw/zinc/68/87/89/354688789.db2.gz VJTYXDMGFCMURO-FRRDWIJNSA-N 2 0 283.420 -0.376 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000562971739 354689539 /nfs/dbraw/zinc/68/95/39/354689539.db2.gz FKVHKJPNIODXSU-GRYCIOLGSA-N 2 0 253.346 -0.282 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000562971740 354690050 /nfs/dbraw/zinc/69/00/50/354690050.db2.gz FKVHKJPNIODXSU-WOPDTQHZSA-N 2 0 253.346 -0.282 20 0 CBADRP C[NH+]1CCC(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000562987398 354690566 /nfs/dbraw/zinc/69/05/66/354690566.db2.gz NZWJPHHCAGGULU-INIZCTEOSA-N 3 0 298.475 -0.084 20 0 CBADRP C[N@H+](CCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C1CC1 ZINC000563055008 354693763 /nfs/dbraw/zinc/69/37/63/354693763.db2.gz JSENRXAWAAERHR-LLVKDONJSA-N 2 0 292.387 -0.146 20 0 CBADRP CC(C)[NH+](CCCNC(=O)CNC(=O)C[NH3+])C(C)C ZINC000563074841 354694820 /nfs/dbraw/zinc/69/48/20/354694820.db2.gz FBXVFGMPILMAFN-UHFFFAOYSA-N 2 0 272.393 -0.314 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000563095198 354695692 /nfs/dbraw/zinc/69/56/92/354695692.db2.gz LOCZWOLIJYCYPK-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP O=C(C[NH2+]CC1CC1)NCCCN1CC[NH2+]CC1 ZINC000563096736 354695924 /nfs/dbraw/zinc/69/59/24/354695924.db2.gz UXYLALLHVATACY-UHFFFAOYSA-N 2 0 254.378 -0.603 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000563103306 354696789 /nfs/dbraw/zinc/69/67/89/354696789.db2.gz CHVZJFSILMAKRW-NSHDSACASA-N 2 0 280.376 -0.084 20 0 CBADRP O=C(CCN1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000563150013 354699803 /nfs/dbraw/zinc/69/98/03/354699803.db2.gz SYUMLXOSPCEQAK-OLZOCXBDSA-N 2 0 266.389 -0.508 20 0 CBADRP C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC000563150806 354700010 /nfs/dbraw/zinc/70/00/10/354700010.db2.gz RGILZGJEQBFYSV-CQSZACIVSA-N 3 0 252.406 -0.033 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000563160100 354700828 /nfs/dbraw/zinc/70/08/28/354700828.db2.gz WSKDEOCRYMKBDA-GXTWGEPZSA-N 2 0 282.388 -0.702 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000563814384 354706213 /nfs/dbraw/zinc/70/62/13/354706213.db2.gz SXLVHTCZGAREOA-YPMHNXCESA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+][C@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)C1CCC1 ZINC000563956484 354708025 /nfs/dbraw/zinc/70/80/25/354708025.db2.gz SSOMDUOGJMYAFX-OLZOCXBDSA-N 2 0 266.389 -0.380 20 0 CBADRP CCNC(=O)CN1CCCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000563960548 354708813 /nfs/dbraw/zinc/70/88/13/354708813.db2.gz SXSKHDGTPOTSJK-HNNXBMFYSA-N 2 0 296.415 -0.344 20 0 CBADRP CC(C)[NH2+]CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563976901 354709115 /nfs/dbraw/zinc/70/91/15/354709115.db2.gz RMHJQCXBSPGXSN-JTQLQIEISA-N 2 0 296.337 -0.063 20 0 CBADRP CN(CCC(=O)N1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000564085255 354710103 /nfs/dbraw/zinc/71/01/03/354710103.db2.gz IULKLUKWXWTXLS-LBPRGKRZSA-N 2 0 254.378 -0.556 20 0 CBADRP C[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)[C@H]2C1 ZINC000564571373 354713837 /nfs/dbraw/zinc/71/38/37/354713837.db2.gz YAOVVTPAGJSUKL-XQHKEYJVSA-N 2 0 283.372 -0.576 20 0 CBADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)[C@H]2C1 ZINC000564571371 354714139 /nfs/dbraw/zinc/71/41/39/354714139.db2.gz YAOVVTPAGJSUKL-VOAKCMCISA-N 2 0 283.372 -0.576 20 0 CBADRP C[C@H]([NH3+])C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000564656622 354714702 /nfs/dbraw/zinc/71/47/02/354714702.db2.gz VHLDVRQFDXDBPH-UNXYVOJBSA-N 2 0 254.378 -0.334 20 0 CBADRP CN1CCN(C(=O)COC2CCC([NH3+])CC2)[C@@H](C[NH3+])C1 ZINC000564798035 354717155 /nfs/dbraw/zinc/71/71/55/354717155.db2.gz QBSOSIRAJBPMAQ-CPCZMJQVSA-N 2 0 284.404 -0.626 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C1CC[NH+](C2CC2)CC1 ZINC000564841462 354718240 /nfs/dbraw/zinc/71/82/40/354718240.db2.gz KHLHAUFLCHKUFK-ZDUSSCGKSA-N 2 0 267.373 -0.035 20 0 CBADRP COCC1(CNC(=O)C[C@H]2COCC[NH2+]2)CC[NH2+]CC1 ZINC000564839351 354718330 /nfs/dbraw/zinc/71/83/30/354718330.db2.gz DZCHDIUTIRJUCM-LBPRGKRZSA-N 2 0 285.388 -0.503 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000564841335 354718577 /nfs/dbraw/zinc/71/85/77/354718577.db2.gz DQSGBCUJPVASCM-STQMWFEESA-N 2 0 263.341 -0.339 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000564948710 354721990 /nfs/dbraw/zinc/72/19/90/354721990.db2.gz IRLKCOUIPSCJNB-NXEZZACHSA-N 2 0 256.350 -0.820 20 0 CBADRP COC[C@@]1(C(=O)N2CCC[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000564947653 354721997 /nfs/dbraw/zinc/72/19/97/354721997.db2.gz RXONYYYTVCBDCC-DGCLKSJQSA-N 2 0 255.362 -0.190 20 0 CBADRP COC[C@@]1(C(=O)N2CCC[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000564947654 354722146 /nfs/dbraw/zinc/72/21/46/354722146.db2.gz RXONYYYTVCBDCC-WCQYABFASA-N 2 0 255.362 -0.190 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000564957224 354722674 /nfs/dbraw/zinc/72/26/74/354722674.db2.gz GOCPVHSXOWMRTQ-VHSXEESVSA-N 2 0 256.350 -0.902 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000564954411 354722738 /nfs/dbraw/zinc/72/27/38/354722738.db2.gz MTXHJVIPFSPKEY-OHTBPHCPSA-N 2 0 297.399 -0.377 20 0 CBADRP Cn1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(=O)n(C)c1=O ZINC000564973634 354722745 /nfs/dbraw/zinc/72/27/45/354722745.db2.gz MBYNIHJHRVCBNF-TXEJJXNPSA-N 2 0 292.383 -0.485 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564983390 354723526 /nfs/dbraw/zinc/72/35/26/354723526.db2.gz WYCLAQPBEATLJI-RWMBFGLXSA-N 2 0 296.415 -0.027 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H](CO)CC2CCC2)CC1 ZINC000564976612 354723889 /nfs/dbraw/zinc/72/38/89/354723889.db2.gz WBASSMKKKBFBRB-HUUCEWRRSA-N 2 0 285.432 -0.265 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565237033 354733952 /nfs/dbraw/zinc/73/39/52/354733952.db2.gz AZJAAOWGCPLULJ-GHMZBOCLSA-N 2 0 268.361 -0.901 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000564989224 354724310 /nfs/dbraw/zinc/72/43/10/354724310.db2.gz BYUNEPVPAYDTAU-QWHCGFSZSA-N 3 0 268.405 -0.133 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000564989874 354724657 /nfs/dbraw/zinc/72/46/57/354724657.db2.gz WABYEXPAIRKBOP-QWRGUYRKSA-N 2 0 271.361 -0.323 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000564989872 354724979 /nfs/dbraw/zinc/72/49/79/354724979.db2.gz WABYEXPAIRKBOP-GHMZBOCLSA-N 2 0 271.361 -0.323 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000565040793 354726333 /nfs/dbraw/zinc/72/63/33/354726333.db2.gz XVWFWDALVORDQE-OLZOCXBDSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H]1CN(C[C@H](O)C[NH2+]C[C@H](O)C2CC2)C[C@H](C)O1 ZINC000565775415 354745849 /nfs/dbraw/zinc/74/58/49/354745849.db2.gz RSVFCXDDHRDVGN-WVWOOGAGSA-N 2 0 272.389 -0.183 20 0 CBADRP [NH3+]C[C@H](NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)C1CC1 ZINC000565950143 354748827 /nfs/dbraw/zinc/74/88/27/354748827.db2.gz VLOBLKAHNVXQKZ-CABZTGNLSA-N 2 0 263.345 -0.046 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N2CCCC[C@@H]2CC[NH3+])nn1 ZINC000566102001 354752828 /nfs/dbraw/zinc/75/28/28/354752828.db2.gz DADHOZNUULKNBO-LLVKDONJSA-N 2 0 280.376 -0.030 20 0 CBADRP C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC000566112722 354753623 /nfs/dbraw/zinc/75/36/23/354753623.db2.gz RGTLFKNUKGBFKH-OAHLLOKOSA-N 2 0 295.431 -0.140 20 0 CBADRP CCOC[C@H](O)C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000566117633 354753650 /nfs/dbraw/zinc/75/36/50/354753650.db2.gz PFIAIQIZPGGZKC-UONOGXRCSA-N 2 0 273.421 -0.143 20 0 CBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C[NH2+]CCOC)C2)CC1 ZINC000566179552 354755318 /nfs/dbraw/zinc/75/53/18/354755318.db2.gz ZNYQNDHFKWYJRG-CQSZACIVSA-N 2 0 298.431 -0.539 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000566189640 354755871 /nfs/dbraw/zinc/75/58/71/354755871.db2.gz RVKIKOBZVMJKQT-IJLUTSLNSA-N 2 0 253.346 -0.567 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000566212819 354757256 /nfs/dbraw/zinc/75/72/56/354757256.db2.gz WPVCXBBMJRTZMD-KGLIPLIRSA-N 2 0 276.384 -0.251 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)nn1 ZINC000566213615 354757318 /nfs/dbraw/zinc/75/73/18/354757318.db2.gz YFMJZUGPZPQSFC-VIFPVBQESA-N 2 0 288.302 -0.646 20 0 CBADRP C[NH+](C)CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000566206230 354757639 /nfs/dbraw/zinc/75/76/39/354757639.db2.gz XTVRIEVAMOBQSH-VIFPVBQESA-N 2 0 282.310 -0.500 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000566213471 354757707 /nfs/dbraw/zinc/75/77/07/354757707.db2.gz RYGSZKHNQGFWLF-UTUOFQBUSA-N 2 0 282.388 -0.512 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000566287170 354761338 /nfs/dbraw/zinc/76/13/38/354761338.db2.gz YXBWTOHSYQYIGE-UWVGGRQHSA-N 2 0 257.334 -0.665 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000566289871 354761747 /nfs/dbraw/zinc/76/17/47/354761747.db2.gz KHEABVDQCONOPI-CQSZACIVSA-N 2 0 297.447 -0.885 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000566289869 354761819 /nfs/dbraw/zinc/76/18/19/354761819.db2.gz KHEABVDQCONOPI-AWEZNQCLSA-N 2 0 297.447 -0.885 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000566295627 354762039 /nfs/dbraw/zinc/76/20/39/354762039.db2.gz BHBNJROTEMIAJK-UONOGXRCSA-N 2 0 298.431 -0.495 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000566507995 354769724 /nfs/dbraw/zinc/76/97/24/354769724.db2.gz PVQKZXJLKMMGAX-FXPVBKGRSA-N 2 0 266.349 -0.647 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000566511032 354770124 /nfs/dbraw/zinc/77/01/24/354770124.db2.gz GZFXFWUWQVHGEE-LBPRGKRZSA-N 2 0 284.404 -0.358 20 0 CBADRP CO[C@H](C[NH3+])C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000567604784 354791719 /nfs/dbraw/zinc/79/17/19/354791719.db2.gz BRQIDQDQXGNRAM-JOYOIKCWSA-N 2 0 264.329 -0.190 20 0 CBADRP C[NH2+][C@@H]1CCCN(C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000566619908 354771780 /nfs/dbraw/zinc/77/17/80/354771780.db2.gz IQEIFDBWFUOAIJ-CHWSQXEVSA-N 2 0 268.405 -0.133 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]C1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000566972603 354777859 /nfs/dbraw/zinc/77/78/59/354777859.db2.gz MDQJIZTVEUACMS-VXGBXAGGSA-N 2 0 292.387 -0.241 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000567271653 354784749 /nfs/dbraw/zinc/78/47/49/354784749.db2.gz DZDRSRWVCPQGQG-BARDWOONSA-N 2 0 282.432 -0.363 20 0 CBADRP C[NH+](C)CCN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000567267308 354784930 /nfs/dbraw/zinc/78/49/30/354784930.db2.gz ZNIVDDMIQYHAGI-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+]1CCC(CNC(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000567297818 354785894 /nfs/dbraw/zinc/78/58/94/354785894.db2.gz ZMAARGUVZCRSMC-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000567368495 354786663 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O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000567835489 354800027 /nfs/dbraw/zinc/80/00/27/354800027.db2.gz SFIFMERWESXEJL-AAEUAGOBSA-N 2 0 252.362 -0.993 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000567834879 354800055 /nfs/dbraw/zinc/80/00/55/354800055.db2.gz OKQIWVWOZPTERC-RYUDHWBXSA-N 2 0 255.362 -0.048 20 0 CBADRP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H](C[NH3+])C1CC1 ZINC000567847201 354800855 /nfs/dbraw/zinc/80/08/55/354800855.db2.gz CJIYQASTAVPEJD-WDEREUQCSA-N 2 0 268.361 -0.950 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000567864916 354801877 /nfs/dbraw/zinc/80/18/77/354801877.db2.gz ZBEWNAJZRIRPMV-ZDUSSCGKSA-N 2 0 254.378 -0.650 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000567872445 354801902 /nfs/dbraw/zinc/80/19/02/354801902.db2.gz TUWWEBXLCOJGAU-GFCCVEGCSA-N 2 0 286.420 -0.053 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000567880063 354802751 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CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)C1CCOCC1 ZINC000568166735 354813470 /nfs/dbraw/zinc/81/34/70/354813470.db2.gz RPOZAGVCACTOOQ-STQMWFEESA-N 2 0 260.378 -0.324 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1C[C@@H](C)[NH+](CCO)C[C@@H]1C ZINC000568181148 354814757 /nfs/dbraw/zinc/81/47/57/354814757.db2.gz LXBCISCMXYWZGI-RDBSUJKOSA-N 2 0 273.421 -0.314 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000568262897 354817982 /nfs/dbraw/zinc/81/79/82/354817982.db2.gz BIYZSDTZQMGFOA-DOMZBBRYSA-N 2 0 294.399 -0.543 20 0 CBADRP CN(CCC[NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000568287763 354820431 /nfs/dbraw/zinc/82/04/31/354820431.db2.gz JMKVQVDZPYWWPP-QMMMGPOBSA-N 2 0 250.293 -0.026 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCC[C@@H]2CO)CC1 ZINC000568391487 354823237 /nfs/dbraw/zinc/82/32/37/354823237.db2.gz BLZNXDBKUFAHTP-MGPQQGTHSA-N 2 0 271.405 -0.655 20 0 CBADRP CCOCCNC(=O)CN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000568765611 354831484 /nfs/dbraw/zinc/83/14/84/354831484.db2.gz ONFBQEBVNSMWBU-CYBMUJFWSA-N 2 0 299.415 -0.174 20 0 CBADRP CCOCCNC(=O)CN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000568765612 354831504 /nfs/dbraw/zinc/83/15/04/354831504.db2.gz ONFBQEBVNSMWBU-ZDUSSCGKSA-N 2 0 299.415 -0.174 20 0 CBADRP CO[C@@H]([C@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C1CC1 ZINC000567695990 354794551 /nfs/dbraw/zinc/79/45/51/354794551.db2.gz LZZVQIMRBJRRPI-QEJZJMRPSA-N 2 0 285.432 -0.002 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000567730748 354795654 /nfs/dbraw/zinc/79/56/54/354795654.db2.gz RHBJIYAIJJGGEU-MELADBBJSA-N 2 0 297.399 -0.456 20 0 CBADRP NC(=O)CC[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000570710416 354867937 /nfs/dbraw/zinc/86/79/37/354867937.db2.gz ZIMSVMQREWDJIR-JTQLQIEISA-N 2 0 256.350 -0.961 20 0 CBADRP C[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)[NH+]1CCCC1 ZINC000570926304 354872576 /nfs/dbraw/zinc/87/25/76/354872576.db2.gz UMBGBGSFIDIWCL-LLVKDONJSA-N 2 0 280.376 -0.159 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)C[C@H](C[NH3+])OC ZINC000570928338 354872845 /nfs/dbraw/zinc/87/28/45/354872845.db2.gz FCJORHFGTNLUIY-LLVKDONJSA-N 2 0 261.366 -0.613 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@]2(COC)CC[NH2+]C2)C1 ZINC000571044897 354876166 /nfs/dbraw/zinc/87/61/66/354876166.db2.gz KZEIMXPODDWPQZ-AAEUAGOBSA-N 2 0 255.362 -0.320 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000571678450 354877895 /nfs/dbraw/zinc/87/78/95/354877895.db2.gz RCCQXWDGFWQZLN-AEJSXWLSSA-N 2 0 257.334 -0.524 20 0 CBADRP CC(C)[C@@H](C(=O)NCC(=O)N1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000568989904 354836392 /nfs/dbraw/zinc/83/63/92/354836392.db2.gz XZPNMDNEJYMCGE-CMPLNLGQSA-N 2 0 270.377 -0.846 20 0 CBADRP [NH3+]CCn1cc(C(=O)NCc2ccc(C[NH3+])cc2)nn1 ZINC000569002955 354837311 /nfs/dbraw/zinc/83/73/11/354837311.db2.gz JDALMUXIPHPVMQ-UHFFFAOYSA-N 2 0 274.328 -0.375 20 0 CBADRP C[C@H]1C(=O)NCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000569693999 354843980 /nfs/dbraw/zinc/84/39/80/354843980.db2.gz FFCFRQMDFYRNOS-NSHDSACASA-N 2 0 268.361 -0.981 20 0 CBADRP CCCN(C(=O)c1cn(CC[NH3+])nn1)[C@H]1CC[NH2+]C1 ZINC000569745276 354846506 /nfs/dbraw/zinc/84/65/06/354846506.db2.gz PFOIPZURTAIOKY-JTQLQIEISA-N 2 0 266.349 -0.549 20 0 CBADRP COC[C@]1(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCC[NH2+]1 ZINC000569946938 354850718 /nfs/dbraw/zinc/85/07/18/354850718.db2.gz DYCMUZGCXJPLHY-MBNYWOFBSA-N 2 0 282.388 -0.242 20 0 CBADRP CCOC[C@@H](O)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000570201930 354856543 /nfs/dbraw/zinc/85/65/43/354856543.db2.gz NNRDYHYHNYPZQP-STQMWFEESA-N 2 0 259.394 -0.391 20 0 CBADRP CN1CC[C@@H]([N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000570280673 354858959 /nfs/dbraw/zinc/85/89/59/354858959.db2.gz FAMZJYDIUUPXBU-QWHCGFSZSA-N 2 0 294.399 -0.639 20 0 CBADRP C[C@@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000570395193 354860240 /nfs/dbraw/zinc/86/02/40/354860240.db2.gz GERVOUWUHRELTF-WOPDTQHZSA-N 2 0 282.388 -0.702 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000570515140 354864064 /nfs/dbraw/zinc/86/40/64/354864064.db2.gz HHVZQHQUUKRQKZ-QWRGUYRKSA-N 2 0 271.361 -0.181 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000570578387 354865128 /nfs/dbraw/zinc/86/51/28/354865128.db2.gz JAEMZPCRPDWVOB-QRJNDHJOSA-N 2 0 296.415 -0.184 20 0 CBADRP O[C@@H]1COCC[NH+](CCCC[N@H+]2CCOC[C@@H](O)C2)C1 ZINC000572031156 354885303 /nfs/dbraw/zinc/88/53/03/354885303.db2.gz DAKYJKMATNOUGX-KBPBESRZSA-N 2 0 288.388 -0.847 20 0 CBADRP CCC[NH2+][C@@H](C)C(=O)NCCN1CC[NH+](C)CC1 ZINC000572486658 354891988 /nfs/dbraw/zinc/89/19/88/354891988.db2.gz DFSMTZIOAKDBSB-LBPRGKRZSA-N 2 0 256.394 -0.262 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000572517316 354893443 /nfs/dbraw/zinc/89/34/43/354893443.db2.gz LZNSJKYPNMEWRQ-IJLUTSLNSA-N 2 0 282.388 -0.702 20 0 CBADRP CCOC[C@@H](O)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000572511793 354893583 /nfs/dbraw/zinc/89/35/83/354893583.db2.gz SDMXAGVEUGTKHL-AWEZNQCLSA-N 2 0 273.421 -0.001 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N[C@H]1C[NH2+]CCC1(F)F ZINC000572641081 354894478 /nfs/dbraw/zinc/89/44/78/354894478.db2.gz ORACICAKTWOTKQ-BDAKNGLRSA-N 2 0 263.288 -0.522 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000572734158 354895801 /nfs/dbraw/zinc/89/58/01/354895801.db2.gz XKFATFOLOLVPFR-AGIUHOORSA-N 2 0 269.389 -0.006 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000572736048 354896795 /nfs/dbraw/zinc/89/67/95/354896795.db2.gz IORUWRVNXCEJRE-RNJOBUHISA-N 2 0 294.399 -0.370 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NCC[N@@H+]1CCCOCC1 ZINC000572958983 354900713 /nfs/dbraw/zinc/90/07/13/354900713.db2.gz VXEDVBPVZIFHNA-LLVKDONJSA-N 2 0 259.350 -0.811 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000572999719 354902840 /nfs/dbraw/zinc/90/28/40/354902840.db2.gz WECBNVDOIHSAEP-SDDRHHMPSA-N 2 0 282.388 -0.560 20 0 CBADRP C(C[N@@H+]1CCC[C@@H]1CN1CCOCC1)N1CC[NH2+]CC1 ZINC000573124006 354906313 /nfs/dbraw/zinc/90/63/13/354906313.db2.gz ROJPWFGDTYRDOI-OAHLLOKOSA-N 2 0 282.432 -0.312 20 0 CBADRP CC(C)NC(=O)CN(C)CC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000573248024 354909301 /nfs/dbraw/zinc/90/93/01/354909301.db2.gz ZHQZTRTXABAJEQ-VHSXEESVSA-N 2 0 258.366 -0.705 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000573486271 354913880 /nfs/dbraw/zinc/91/38/80/354913880.db2.gz KKAGDWPZTSQITJ-GRYCIOLGSA-N 2 0 280.372 -0.793 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000571778523 354880405 /nfs/dbraw/zinc/88/04/05/354880405.db2.gz MKWXPCDPBYTUOH-ZYHUDNBSSA-N 2 0 282.388 -0.608 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@]12CCNC2=O ZINC000571818663 354880965 /nfs/dbraw/zinc/88/09/65/354880965.db2.gz SQCCVLWKDXIBRT-DGCLKSJQSA-N 2 0 255.362 -0.347 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000571882587 354882540 /nfs/dbraw/zinc/88/25/40/354882540.db2.gz LMOLADRPHLGOBV-NEPJUHHUSA-N 2 0 255.362 -0.048 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000573719108 354919572 /nfs/dbraw/zinc/91/95/72/354919572.db2.gz SUSPPDJHNYFQMV-CYBMUJFWSA-N 2 0 253.346 -0.423 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000573801265 354921575 /nfs/dbraw/zinc/92/15/75/354921575.db2.gz XCDOUHMLBUXHEU-BJDJZHNGSA-N 2 0 283.372 -0.147 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000573819657 354921591 /nfs/dbraw/zinc/92/15/91/354921591.db2.gz CHUHKXMBTDSTNN-VXGBXAGGSA-N 2 0 269.393 -0.717 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000573819655 354921697 /nfs/dbraw/zinc/92/16/97/354921697.db2.gz CHUHKXMBTDSTNN-NWDGAFQWSA-N 2 0 269.393 -0.717 20 0 CBADRP C[C@@](C[NH3+])(NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000573803068 354922021 /nfs/dbraw/zinc/92/20/21/354922021.db2.gz DOUHDLFOLVKWKZ-MFKMUULPSA-N 2 0 268.361 -0.902 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000573864609 354924173 /nfs/dbraw/zinc/92/41/73/354924173.db2.gz RNMUARUDDYYJMU-VWYCJHECSA-N 2 0 280.372 -0.794 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CCSC2)[C@H](C[NH3+])C1 ZINC000574059530 354927345 /nfs/dbraw/zinc/92/73/45/354927345.db2.gz HRDGDJGJFIEQHB-NXEZZACHSA-N 2 0 258.391 -0.224 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000578122115 354938697 /nfs/dbraw/zinc/93/86/97/354938697.db2.gz UASKRQHIKISQKA-GFCCVEGCSA-N 2 0 299.419 -0.552 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000578130616 354938912 /nfs/dbraw/zinc/93/89/12/354938912.db2.gz SUQYPMVKEHGUBF-VXGBXAGGSA-N 2 0 254.378 -0.380 20 0 CBADRP CN(C)c1ncc(C[N@H+](C)CCOCC[NH3+])cn1 ZINC000578323976 354942908 /nfs/dbraw/zinc/94/29/08/354942908.db2.gz AKEOEYKULTWUEL-UHFFFAOYSA-N 2 0 253.350 -0.050 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000578504853 354947593 /nfs/dbraw/zinc/94/75/93/354947593.db2.gz WAFHWCFQOXEBBZ-AGIUHOORSA-N 2 0 294.399 -0.545 20 0 CBADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000578551968 354949755 /nfs/dbraw/zinc/94/97/55/354949755.db2.gz UBLNXDRFEPPEFZ-YPMHNXCESA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC[NH2+]1 ZINC000578649832 354951364 /nfs/dbraw/zinc/95/13/64/354951364.db2.gz NSTSDCPAAJZBCF-WOPDTQHZSA-N 2 0 292.387 -0.100 20 0 CBADRP O=C(NC[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000578770316 354954559 /nfs/dbraw/zinc/95/45/59/354954559.db2.gz PLAKQIFFFYOSNP-RWMBFGLXSA-N 2 0 294.399 -0.545 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000578774473 354955584 /nfs/dbraw/zinc/95/55/84/354955584.db2.gz ATIHHDHNONYAPZ-RWMBFGLXSA-N 2 0 267.373 -0.096 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CCCO1 ZINC000578890890 354957608 /nfs/dbraw/zinc/95/76/08/354957608.db2.gz WZGHEDASXHQAEG-MBNYWOFBSA-N 2 0 267.373 -0.048 20 0 CBADRP C[NH2+]CC1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000573681828 354918815 /nfs/dbraw/zinc/91/88/15/354918815.db2.gz YUSPTGFRWCYNKW-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000579256941 354967592 /nfs/dbraw/zinc/96/75/92/354967592.db2.gz LAJHSSSIZJKWAB-JSGCOSHPSA-N 2 0 267.373 -0.347 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000579351659 354967982 /nfs/dbraw/zinc/96/79/82/354967982.db2.gz WTTSILMVHPKEON-VHSXEESVSA-N 2 0 266.349 -0.503 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000579370331 354968671 /nfs/dbraw/zinc/96/86/71/354968671.db2.gz FSQNLESYHYTTOD-OLZOCXBDSA-N 2 0 268.405 -0.038 20 0 CBADRP CCN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000579445823 354970324 /nfs/dbraw/zinc/97/03/24/354970324.db2.gz KEOHAXVGJXDFED-UHFFFAOYSA-N 2 0 272.393 -0.584 20 0 CBADRP C[NH+](C)CCCNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000579470748 354971574 /nfs/dbraw/zinc/97/15/74/354971574.db2.gz OYMPGYQAHCFBAP-UHFFFAOYSA-N 2 0 268.365 -0.302 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000579492986 354972035 /nfs/dbraw/zinc/97/20/35/354972035.db2.gz WPCHVFXZNFYNBL-NDBYEHHHSA-N 2 0 269.389 -0.008 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000579692528 354976995 /nfs/dbraw/zinc/97/69/95/354976995.db2.gz GAGOHXHEUXZHLD-PWSUYJOCSA-N 2 0 280.372 -0.983 20 0 CBADRP C[C@H](CCNC(=O)C(=O)NC1C[NH2+]C1)[NH+]1CCCCC1 ZINC000579692191 354977044 /nfs/dbraw/zinc/97/70/44/354977044.db2.gz MHZREDRIFSEKNP-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H](NC(=O)[C@H]1CC[NH2+]1)C(=O)NCC[NH+]1CCCCC1 ZINC000579710540 354978157 /nfs/dbraw/zinc/97/81/57/354978157.db2.gz JWSKPVPWAWXOMO-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000579837487 354980908 /nfs/dbraw/zinc/98/09/08/354980908.db2.gz FNOWHRBIGLXMLE-VHSXEESVSA-N 2 0 258.366 -0.752 20 0 CBADRP [NH3+][C@@H](CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000580174233 354988612 /nfs/dbraw/zinc/98/86/12/354988612.db2.gz XLHUTUPBXDANQI-RYUDHWBXSA-N 2 0 280.372 -0.854 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@H+](C)C1CC[NH2+]CC1 ZINC000580196629 354989609 /nfs/dbraw/zinc/98/96/09/354989609.db2.gz VOVVXKVRQZONLU-UHFFFAOYSA-N 2 0 271.361 -0.308 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CCN2C1=O ZINC000580214134 354990905 /nfs/dbraw/zinc/99/09/05/354990905.db2.gz LIIPCVHFLXKQMK-NWJSVONSSA-N 2 0 292.383 -0.854 20 0 CBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CCN2C1=O ZINC000580214135 354991014 /nfs/dbraw/zinc/99/10/14/354991014.db2.gz LIIPCVHFLXKQMK-OXJKWZBOSA-N 2 0 292.383 -0.854 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000580323835 354993567 /nfs/dbraw/zinc/99/35/67/354993567.db2.gz LRAIGPGNUUYBOW-SRVKXCTJSA-N 2 0 271.409 -0.343 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000580323473 354993667 /nfs/dbraw/zinc/99/36/67/354993667.db2.gz ZYCFCOIBMYIKAG-KGLIPLIRSA-N 2 0 298.431 -0.411 20 0 CBADRP C[C@@H]1C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC(=O)N1 ZINC000580740423 354996477 /nfs/dbraw/zinc/99/64/77/354996477.db2.gz NSUNMYUZTNGIMY-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP COC(=O)CN(C)C(=O)CC[NH2+]CC1([NH3+])CCC1 ZINC000580893027 355000575 /nfs/dbraw/zinc/00/05/75/355000575.db2.gz BMZXFLJWHMMTIC-UHFFFAOYSA-N 2 0 257.334 -0.521 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000580946511 355001856 /nfs/dbraw/zinc/00/18/56/355001856.db2.gz IJBQOAUMPIMMBG-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000584527160 355030834 /nfs/dbraw/zinc/03/08/34/355030834.db2.gz XCIDCQMQDHPERX-UHFFFAOYSA-N 2 0 268.405 -0.260 20 0 CBADRP CN1CCC[C@@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000584524808 355031325 /nfs/dbraw/zinc/03/13/25/355031325.db2.gz JQQVETSWLWEDFS-KGLIPLIRSA-N 2 0 270.421 -0.722 20 0 CBADRP CC(C)OC[C@@H](O)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000584834877 355039038 /nfs/dbraw/zinc/03/90/38/355039038.db2.gz ZQELSVVVNCBXSY-KGLIPLIRSA-N 2 0 273.421 -0.002 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000581440865 355005261 /nfs/dbraw/zinc/00/52/61/355005261.db2.gz UKNWYRQCMLBFAN-SNVBAGLBSA-N 2 0 268.361 -0.854 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000581489722 355005330 /nfs/dbraw/zinc/00/53/30/355005330.db2.gz FWRAJXBSKJPLAP-QJPTWQEYSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000582062770 355006503 /nfs/dbraw/zinc/00/65/03/355006503.db2.gz AINZPYZNBHPWGY-WUHRBBMRSA-N 2 0 296.415 -0.029 20 0 CBADRP CC[C@H](C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[NH+](CC)CC ZINC000582073418 355007739 /nfs/dbraw/zinc/00/77/39/355007739.db2.gz CYCLILNOYQRRDE-RWMBFGLXSA-N 2 0 296.415 -0.123 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000582244108 355011961 /nfs/dbraw/zinc/01/19/61/355011961.db2.gz LPOUENZKOYSMQW-UONOGXRCSA-N 2 0 280.416 -0.166 20 0 CBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CCN2C1=O ZINC000582253000 355013112 /nfs/dbraw/zinc/01/31/12/355013112.db2.gz YQXKOVDHARHQKQ-RYUDHWBXSA-N 2 0 292.383 -0.615 20 0 CBADRP C[C@]([NH3+])(C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000582421823 355016269 /nfs/dbraw/zinc/01/62/69/355016269.db2.gz RTLCNLZRWDMQMA-GXTWGEPZSA-N 2 0 263.341 -0.035 20 0 CBADRP COC(=O)CCNC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000582426093 355016965 /nfs/dbraw/zinc/01/69/65/355016965.db2.gz ZROZTSVDHKTQFE-UHFFFAOYSA-N 2 0 271.361 -0.274 20 0 CBADRP CO[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000583559164 355019137 /nfs/dbraw/zinc/01/91/37/355019137.db2.gz HJCSCFKLVATERF-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000583565402 355020147 /nfs/dbraw/zinc/02/01/47/355020147.db2.gz KFCQDXKIJQYSLK-NEPJUHHUSA-N 3 0 254.378 -0.523 20 0 CBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000583563496 355020351 /nfs/dbraw/zinc/02/03/51/355020351.db2.gz ATAJCKARQBCWCU-NXEZZACHSA-N 2 0 293.375 -0.459 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000583565405 355020530 /nfs/dbraw/zinc/02/05/30/355020530.db2.gz KFCQDXKIJQYSLK-VXGBXAGGSA-N 3 0 254.378 -0.523 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000583629864 355021001 /nfs/dbraw/zinc/02/10/01/355021001.db2.gz ONWPTAZWYUQFOZ-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP [NH3+][C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000583870664 355023472 /nfs/dbraw/zinc/02/34/72/355023472.db2.gz JYIUVKQWSSYJOD-OLZOCXBDSA-N 2 0 290.367 -0.329 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000583997104 355027063 /nfs/dbraw/zinc/02/70/63/355027063.db2.gz UDLBHSADFDSIOE-NEPJUHHUSA-N 2 0 256.394 -0.134 20 0 CBADRP NC(=O)NC(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000591726572 355110937 /nfs/dbraw/zinc/11/09/37/355110937.db2.gz PSTMUFPMFSHAOP-ZJUUUORDSA-N 2 0 254.334 -0.212 20 0 CBADRP CSCCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000591740802 355111786 /nfs/dbraw/zinc/11/17/86/355111786.db2.gz IZRZLNIJRWIPMX-LBPRGKRZSA-N 2 0 261.435 -0.063 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000591893063 355115853 /nfs/dbraw/zinc/11/58/53/355115853.db2.gz QJUZWGMQXSJRTO-GRYCIOLGSA-N 2 0 283.372 -0.133 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000591354762 355094679 /nfs/dbraw/zinc/09/46/79/355094679.db2.gz YDZVNIYAPGXLKV-GHMZBOCLSA-N 2 0 271.361 -0.262 20 0 CBADRP COCC[NH2+]CCNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592540659 355159882 /nfs/dbraw/zinc/15/98/82/355159882.db2.gz DNBMLXNDFUOPKJ-NSHDSACASA-N 2 0 295.387 -0.315 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000592546778 355161177 /nfs/dbraw/zinc/16/11/77/355161177.db2.gz CLABTMSMNUKURL-VXGBXAGGSA-N 2 0 299.371 -0.882 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[NH2+]CC1CC1 ZINC000592548387 355161180 /nfs/dbraw/zinc/16/11/80/355161180.db2.gz ONMLKLGSWZEPLN-NSHDSACASA-N 2 0 269.345 -0.651 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000592551223 355161527 /nfs/dbraw/zinc/16/15/27/355161527.db2.gz FBJIKMCBKSOARC-SRVKXCTJSA-N 2 0 283.372 -0.262 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)COC1CC[NH2+]CC1 ZINC000592553924 355162834 /nfs/dbraw/zinc/16/28/34/355162834.db2.gz YEZPZMCUJYZZHN-GFCCVEGCSA-N 2 0 299.371 -0.882 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000592557268 355163485 /nfs/dbraw/zinc/16/34/85/355163485.db2.gz XTMRDONZUBNDSQ-VXGBXAGGSA-N 2 0 283.372 -0.260 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000592047605 355129041 /nfs/dbraw/zinc/12/90/41/355129041.db2.gz ODTWNKSGMIAKMU-NXEZZACHSA-N 2 0 257.334 -0.523 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000592135922 355133541 /nfs/dbraw/zinc/13/35/41/355133541.db2.gz YKNUGSXOLJMUBO-NEPJUHHUSA-N 2 0 283.372 -0.133 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000592264407 355145471 /nfs/dbraw/zinc/14/54/71/355145471.db2.gz UJORJWCISKUOPU-VHSXEESVSA-N 2 0 257.334 -0.667 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000592242190 355145680 /nfs/dbraw/zinc/14/56/80/355145680.db2.gz QHJKGTMYTRNAJZ-WDEREUQCSA-N 2 0 271.361 -0.277 20 0 CBADRP CSCC[C@H]([NH3+])C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592307856 355147179 /nfs/dbraw/zinc/14/71/79/355147179.db2.gz JULJATJYIOAYPL-KXUCPTDWSA-N 2 0 261.391 -0.359 20 0 CBADRP NC(=O)NC(=O)CC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471223 355155496 /nfs/dbraw/zinc/15/54/96/355155496.db2.gz MVULVTQTRBDGAW-UHFFFAOYSA-N 2 0 254.334 -0.212 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH2+]CC1(C)C ZINC000592473458 355156276 /nfs/dbraw/zinc/15/62/76/355156276.db2.gz OWVGIVHUSPZHBK-VIFPVBQESA-N 2 0 257.334 -0.523 20 0 CBADRP NC(=O)NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000592490457 355157947 /nfs/dbraw/zinc/15/79/47/355157947.db2.gz QFOQKQFHEHBQLC-SNVBAGLBSA-N 2 0 254.334 -0.497 20 0 CBADRP COC(=O)[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+](C)C1 ZINC000592806012 355172505 /nfs/dbraw/zinc/17/25/05/355172505.db2.gz GWUXHCNPCRHNJT-JHJVBQTASA-N 2 0 297.399 -0.110 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1CCC[NH2+]CC1 ZINC000593908069 355228289 /nfs/dbraw/zinc/22/82/89/355228289.db2.gz XHIPPEWOHADPHK-RYUDHWBXSA-N 2 0 283.372 -0.260 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593911952 355229036 /nfs/dbraw/zinc/22/90/36/355229036.db2.gz KNRMUKUPSUIGGU-WDMOLILDSA-N 2 0 283.372 -0.146 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]([NH3+])CCC(=O)OC)C[C@H]1C[NH3+] ZINC000593916500 355230138 /nfs/dbraw/zinc/23/01/38/355230138.db2.gz LUQKVEWTTBIKGP-OUAUKWLOSA-N 2 0 287.360 -0.911 20 0 CBADRP CNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593730163 355217588 /nfs/dbraw/zinc/21/75/88/355217588.db2.gz LALFQCSLTFHZSK-TUAOUCFPSA-N 2 0 298.387 -0.197 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594880429 355267831 /nfs/dbraw/zinc/26/78/31/355267831.db2.gz MNRBRGSKCFSAES-WHOHXGKFSA-N 2 0 280.372 -0.868 20 0 CBADRP CCC(CC)(C[NH3+])C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594879698 355268026 /nfs/dbraw/zinc/26/80/26/355268026.db2.gz JUABFKROHFQQMV-GHMZBOCLSA-N 2 0 282.388 -0.478 20 0 CBADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)NC(N)=O)C2 ZINC000595506445 355288985 /nfs/dbraw/zinc/28/89/85/355288985.db2.gz CIHVLMITLKKCIE-ZDUSSCGKSA-N 2 0 268.361 -0.011 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419414011 295901984 /nfs/dbraw/zinc/90/19/84/295901984.db2.gz DRXCLXIJBLMPJC-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP COC(=O)CCN1CC[C@H]([N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)C1=O ZINC000595890171 355314688 /nfs/dbraw/zinc/31/46/88/355314688.db2.gz YYXAJOKQXZPBSU-TUAOUCFPSA-N 2 0 283.372 -0.181 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)OC)C1 ZINC000595944526 355324024 /nfs/dbraw/zinc/32/40/24/355324024.db2.gz MDEGUYFSPSDXFE-MNOVXSKESA-N 2 0 271.361 -0.133 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C3([NH3+])CC4(CCC4)C3)CCN2C1=O ZINC000595971831 355331490 /nfs/dbraw/zinc/33/14/90/355331490.db2.gz SKYPGRWKMWGNNJ-GHMZBOCLSA-N 2 0 292.383 -0.582 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCC[NH2+]CC3)CCN2C1=O ZINC000595264544 355276254 /nfs/dbraw/zinc/27/62/54/355276254.db2.gz BNNJQJHDANKRKU-IJLUTSLNSA-N 2 0 295.387 -0.918 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000596102361 355344288 /nfs/dbraw/zinc/34/42/88/355344288.db2.gz AKMLUKBMBUDTFL-MDZLAQPJSA-N 2 0 253.346 -0.567 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000420312009 291066183 /nfs/dbraw/zinc/06/61/83/291066183.db2.gz HNDHMEXANOBMEY-QWRGUYRKSA-N 2 0 271.361 -0.323 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598667492 355449229 /nfs/dbraw/zinc/44/92/29/355449229.db2.gz JBSLCOQDETVYSF-OUJBWJOFSA-N 2 0 269.345 -0.393 20 0 CBADRP CS[C@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@@H]1[NH+](C)C ZINC000599060340 355461708 /nfs/dbraw/zinc/46/17/08/355461708.db2.gz QRQROCJBCZZVPH-BQBZGAKWSA-N 2 0 269.378 -0.821 20 0 CBADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2COCCN2)CC[NH2+]CC1 ZINC000600708426 355562121 /nfs/dbraw/zinc/56/21/21/355562121.db2.gz CTTSBEVWVOVCDL-OLZOCXBDSA-N 2 0 299.415 -0.114 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000599936619 355520367 /nfs/dbraw/zinc/52/03/67/355520367.db2.gz YICVVANITBOGQS-TUAOUCFPSA-N 2 0 295.387 -0.966 20 0 CBADRP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)CCOCC[NH3+] ZINC000600737405 355564057 /nfs/dbraw/zinc/56/40/57/355564057.db2.gz VGZQAWDEIWJEBX-JTQLQIEISA-N 2 0 288.392 -0.094 20 0 CBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000600734120 355564257 /nfs/dbraw/zinc/56/42/57/355564257.db2.gz DQWOONVAADSHMS-SNVBAGLBSA-N 2 0 274.365 -0.484 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000601026912 355576608 /nfs/dbraw/zinc/57/66/08/355576608.db2.gz ZRPKEYGWJLKZQB-OLZOCXBDSA-N 2 0 268.405 -0.167 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000601026914 355577117 /nfs/dbraw/zinc/57/71/17/355577117.db2.gz ZRPKEYGWJLKZQB-QWHCGFSZSA-N 2 0 268.405 -0.167 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000602493101 355653619 /nfs/dbraw/zinc/65/36/19/355653619.db2.gz NKZORKCODBDHJM-NWDGAFQWSA-N 2 0 283.372 -0.166 20 0 CBADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000602522672 355656422 /nfs/dbraw/zinc/65/64/22/355656422.db2.gz FVDJWXVTPYNERD-GRYCIOLGSA-N 2 0 282.388 -0.480 20 0 CBADRP C[N@H+](CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)CC(C)(C)C ZINC000602523804 355657292 /nfs/dbraw/zinc/65/72/92/355657292.db2.gz IGEGCZURTXTLRE-NWDGAFQWSA-N 2 0 296.415 -0.265 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[N@@H+]1C ZINC000602525150 355657579 /nfs/dbraw/zinc/65/75/79/355657579.db2.gz MYIGENHSSFIGML-WUHRBBMRSA-N 2 0 294.399 -0.513 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC[N@@H+]1C ZINC000602525155 355657799 /nfs/dbraw/zinc/65/77/99/355657799.db2.gz MYIGENHSSFIGML-ZDEQEGDKSA-N 2 0 294.399 -0.513 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000602584741 355662266 /nfs/dbraw/zinc/66/22/66/355662266.db2.gz KEESMSIYAZGMPS-ZDUSSCGKSA-N 2 0 291.351 -0.161 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602590488 355662923 /nfs/dbraw/zinc/66/29/23/355662923.db2.gz IRCXRDFMMUOWGV-AEJSXWLSSA-N 2 0 255.318 -0.770 20 0 CBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)[C@]34CCC[C@H]3C[NH2+]C4)CCN2C1=O ZINC000601974078 355624078 /nfs/dbraw/zinc/62/40/78/355624078.db2.gz LIIPCVHFLXKQMK-OXIQGZBJSA-N 2 0 292.383 -0.854 20 0 CBADRP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000602020423 355625925 /nfs/dbraw/zinc/62/59/25/355625925.db2.gz LBPNLPUKNOWXOS-IMSYWVGJSA-N 2 0 259.350 -0.232 20 0 CBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602875810 355679453 /nfs/dbraw/zinc/67/94/53/355679453.db2.gz APULOSVSEOICSQ-SNVBAGLBSA-N 2 0 268.361 -0.013 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612879554 355853988 /nfs/dbraw/zinc/85/39/88/355853988.db2.gz ZMFLIWZUDJJQTL-TZMCWYRMSA-N 2 0 283.420 -0.327 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612881188 355854946 /nfs/dbraw/zinc/85/49/46/355854946.db2.gz ZCWFOJLJXKIHHK-WCQYABFASA-N 2 0 269.393 -0.717 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612974514 355858694 /nfs/dbraw/zinc/85/86/94/355858694.db2.gz HRXPMVSACLVHCD-YPMHNXCESA-N 2 0 284.404 -0.260 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CCCO1 ZINC000612994818 355860682 /nfs/dbraw/zinc/86/06/82/355860682.db2.gz VRJCPBZUSTYJGN-VXGBXAGGSA-N 2 0 282.388 -0.112 20 0 CBADRP CN(CCNC(=O)C1([NH+](C)C)CC1)C(=O)C1([NH+](C)C)CC1 ZINC000613788286 355911760 /nfs/dbraw/zinc/91/17/60/355911760.db2.gz MMJJLRXGZDRZIV-UHFFFAOYSA-N 2 0 296.415 -0.251 20 0 CBADRP C(=C\CN1C[C@H]2C[NH2+]C[C@H]2C1)\CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613996125 355926635 /nfs/dbraw/zinc/92/66/35/355926635.db2.gz PWEDYBAZADZXAJ-UYRVCGCOSA-N 2 0 276.428 -0.155 20 0 CBADRP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000614068455 355933853 /nfs/dbraw/zinc/93/38/53/355933853.db2.gz NJTBZRNDUHZPSQ-TZMCWYRMSA-N 2 0 269.389 -0.004 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000614506871 355965150 /nfs/dbraw/zinc/96/51/50/355965150.db2.gz JYAWMFGTFXCUGL-OLZOCXBDSA-N 2 0 266.389 -0.413 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000614506103 355965588 /nfs/dbraw/zinc/96/55/88/355965588.db2.gz VWOOLXIMVJWNIL-UONOGXRCSA-N 2 0 280.416 -0.166 20 0 CBADRP CCN(C(=O)[C@H]1C[NH+]2CCN1CCC2)[C@H]1CC[N@H+](C)C1 ZINC000617553681 356142292 /nfs/dbraw/zinc/14/22/92/356142292.db2.gz NXZJSFVEYOIWHC-UONOGXRCSA-N 2 0 280.416 -0.071 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000618305867 356185765 /nfs/dbraw/zinc/18/57/65/356185765.db2.gz KGGNGEORBXYYHT-LBPRGKRZSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C1 ZINC000618308378 356186653 /nfs/dbraw/zinc/18/66/53/356186653.db2.gz IIKZNVXYQBKSHO-ZDUSSCGKSA-N 2 0 298.431 -0.193 20 0 CBADRP CN1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000621624747 356278143 /nfs/dbraw/zinc/27/81/43/356278143.db2.gz WASYUAJZYYOIEN-QWHCGFSZSA-N 2 0 268.405 -0.133 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000621653649 356279224 /nfs/dbraw/zinc/27/92/24/356279224.db2.gz CNLAPEKCCAFZKK-VXGBXAGGSA-N 2 0 255.362 -0.048 20 0 CBADRP O=C(CC[C@H]1CCC[NH2+]C1)N1CCOC2(C[NH2+]C2)C1 ZINC000621669603 356279942 /nfs/dbraw/zinc/27/99/42/356279942.db2.gz QNIHMCYHOWOFSB-GFCCVEGCSA-N 2 0 267.373 -0.033 20 0 CBADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)CCOC1C[NH2+]C1)C2 ZINC000621684512 356280362 /nfs/dbraw/zinc/28/03/62/356280362.db2.gz NKECBLQOSZFCIW-ZWNOBZJWSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1COC3)C2 ZINC000621681789 356280721 /nfs/dbraw/zinc/28/07/21/356280721.db2.gz WVWAMKWIEMCSKJ-AUZPSNTRSA-N 2 0 265.357 -0.438 20 0 CBADRP [NH3+][C@@]12CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)C2 ZINC000621784306 356284399 /nfs/dbraw/zinc/28/43/99/356284399.db2.gz MTNPEGMWXYHPTC-GXTWGEPZSA-N 2 0 266.389 -0.379 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621838101 356289073 /nfs/dbraw/zinc/28/90/73/356289073.db2.gz XNIYMTADMPNFPC-NHYWBVRUSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@H](CNc1nc(N)[nH+]c(N)n1)[N@@H+]1CCc2ccccc2C1 ZINC000623845486 356378828 /nfs/dbraw/zinc/37/88/28/356378828.db2.gz FZVCOKSGDDNNHG-SNVBAGLBSA-N 2 0 299.382 -0.023 20 0 CBADRP C[N@H+](CCNc1nc(N)[nH+]c(N)n1)C1CCCCC1 ZINC000623895192 356381178 /nfs/dbraw/zinc/38/11/78/356381178.db2.gz LBNOKAXSSFVUMA-UHFFFAOYSA-N 2 0 265.365 -0.205 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000623913672 356382190 /nfs/dbraw/zinc/38/21/90/356382190.db2.gz XDYLJPACNHOQPX-QMMMGPOBSA-N 2 0 251.338 -0.336 20 0 CBADRP CC(C)[NH2+]C1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623932587 356383610 /nfs/dbraw/zinc/38/36/10/356383610.db2.gz UQCAFRIAJFTOGD-UHFFFAOYSA-N 2 0 251.338 -0.336 20 0 CBADRP C[C@@H](Nc1nc(N)[nH+]c(N)n1)C(C)(C)C[NH+](C)C ZINC000623994240 356386880 /nfs/dbraw/zinc/38/68/80/356386880.db2.gz SZJGEXDIMILSAQ-SSDOTTSWSA-N 2 0 253.354 -0.493 20 0 CBADRP Nc1nc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc(N)[nH+]1 ZINC000623981582 356386919 /nfs/dbraw/zinc/38/69/19/356386919.db2.gz KDMLUCVRZGGZRD-VIFPVBQESA-N 2 0 293.375 -0.969 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(c3nc(N)[nH+]c(N)n3)CC[C@@H]21 ZINC000624041340 356391599 /nfs/dbraw/zinc/39/15/99/356391599.db2.gz QVLGEOHPLKISNG-BDAKNGLRSA-N 2 0 263.349 -0.383 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000624157998 356400750 /nfs/dbraw/zinc/40/07/50/356400750.db2.gz JCNZAPQFAMOOGE-MRVPVSSYSA-N 2 0 251.338 -0.383 20 0 CBADRP Nc1nc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)nc(N)[nH+]1 ZINC000624375464 356415307 /nfs/dbraw/zinc/41/53/07/356415307.db2.gz QQNKDVMLDVIJKJ-RKDXNWHRSA-N 2 0 263.349 -0.453 20 0 CBADRP Nc1nc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)nc(N)[nH+]1 ZINC000624411318 356420576 /nfs/dbraw/zinc/42/05/76/356420576.db2.gz DTWOFSHDIRNGTR-JTQLQIEISA-N 2 0 277.376 -0.347 20 0 CBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000624168632 356401821 /nfs/dbraw/zinc/40/18/21/356401821.db2.gz CFHHZHOSMAIQSZ-MRVPVSSYSA-N 2 0 265.365 -0.349 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000423415423 283161041 /nfs/dbraw/zinc/16/10/41/283161041.db2.gz AMVFXYNIZOZUBB-OLZOCXBDSA-N 2 0 294.399 -0.639 20 0 CBADRP CC[C@H](C)[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000624259047 356408820 /nfs/dbraw/zinc/40/88/20/356408820.db2.gz ANOJBQRYWBONNP-QMMMGPOBSA-N 2 0 251.338 -0.383 20 0 CBADRP Nc1nc(NC2CC[NH+](C3CCC3)CC2)nc(N)[nH+]1 ZINC000624260443 356408848 /nfs/dbraw/zinc/40/88/48/356408848.db2.gz NJMSAIUJCSGDBB-UHFFFAOYSA-N 2 0 263.349 -0.453 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000419758450 283165795 /nfs/dbraw/zinc/16/57/95/283165795.db2.gz FAJVWEGIKVJTCX-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP CNC(=O)NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357090668 290479923 /nfs/dbraw/zinc/47/99/23/290479923.db2.gz RQXBEEJSLRBYBZ-NSHDSACASA-N 2 0 268.361 -0.237 20 0 CBADRP C[NH+](C)CCn1nccc1NC(=O)NCCOCCC[NH3+] ZINC000625891441 356496988 /nfs/dbraw/zinc/49/69/88/356496988.db2.gz ZBDQXYMIBRZPFZ-UHFFFAOYSA-N 2 0 298.391 -0.068 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000626974091 356561673 /nfs/dbraw/zinc/56/16/73/356561673.db2.gz DBHXKNCKVBZAQL-QJPTWQEYSA-N 2 0 269.393 -0.718 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626975527 356561712 /nfs/dbraw/zinc/56/17/12/356561712.db2.gz VYUIRUOMNXIYRL-VXGBXAGGSA-N 2 0 270.377 -0.242 20 0 CBADRP C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1CN(C)CCO1 ZINC000627003619 356565901 /nfs/dbraw/zinc/56/59/01/356565901.db2.gz RYDQDIBDSPPNPC-MXWKQRLJSA-N 2 0 256.350 -0.633 20 0 CBADRP C[NH+](C)CCOCCNC(=O)NCC1([NH3+])CCOCC1 ZINC000627019102 356568286 /nfs/dbraw/zinc/56/82/86/356568286.db2.gz QAWWTGDHVNFWCN-UHFFFAOYSA-N 2 0 288.392 -0.628 20 0 CBADRP C[C@@H](CNC(=O)NCC1([NH3+])CCOCC1)[NH+](C)C ZINC000627051774 356569968 /nfs/dbraw/zinc/56/99/68/356569968.db2.gz FWOGRURTBOJMBS-JTQLQIEISA-N 2 0 258.366 -0.256 20 0 CBADRP CN1CCOC[C@@H]1CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000627065762 356571734 /nfs/dbraw/zinc/57/17/34/356571734.db2.gz JZTWYPRQGIXVJY-NEPJUHHUSA-N 2 0 270.377 -0.242 20 0 CBADRP [NH3+]CC1(NC(=O)NC[C@@H]2CCCC[NH2+]2)CCOCC1 ZINC000627066297 356572248 /nfs/dbraw/zinc/57/22/48/356572248.db2.gz RHAUHOCNVNFRRT-NSHDSACASA-N 2 0 270.377 -0.064 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NCC1CC[NH2+]CC1 ZINC000627068829 356572396 /nfs/dbraw/zinc/57/23/96/356572396.db2.gz OFMZFCWXBPKZKV-GFCCVEGCSA-N 2 0 270.377 -0.648 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NCC1CC[NH2+]CC1 ZINC000627068830 356572504 /nfs/dbraw/zinc/57/25/04/356572504.db2.gz OFMZFCWXBPKZKV-LBPRGKRZSA-N 2 0 270.377 -0.648 20 0 CBADRP [NH3+]CC1(NC(=O)NCC[NH2+]C2CC2)CCOCC1 ZINC000627067904 356572712 /nfs/dbraw/zinc/57/27/12/356572712.db2.gz FJUGYLDKFLOZEL-UHFFFAOYSA-N 2 0 256.350 -0.455 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000626982958 356563073 /nfs/dbraw/zinc/56/30/73/356563073.db2.gz XJQWQXRIPOZEAQ-GHMZBOCLSA-N 2 0 256.350 -0.632 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCC1([NH3+])CCOCC1 ZINC000627147505 356588634 /nfs/dbraw/zinc/58/86/34/356588634.db2.gz JUBCMLYNQOQPHQ-WDEREUQCSA-N 2 0 270.377 -0.114 20 0 CBADRP C[C@]1(NC(=O)NCC2([NH3+])CCOCC2)CC[NH2+]C1 ZINC000627147394 356588772 /nfs/dbraw/zinc/58/87/72/356588772.db2.gz MKHFVQQTBFBPLV-NSHDSACASA-N 2 0 256.350 -0.455 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627169419 356592469 /nfs/dbraw/zinc/59/24/69/356592469.db2.gz INNLHDOMKVVWST-QWRGUYRKSA-N 2 0 258.366 -0.338 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000627171556 356593037 /nfs/dbraw/zinc/59/30/37/356593037.db2.gz YQYDNEBSGVXYTM-RYUDHWBXSA-N 2 0 270.377 -0.384 20 0 CBADRP C[NH2+]CCOCCNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000627173656 356593995 /nfs/dbraw/zinc/59/39/95/356593995.db2.gz CLPGPWXWEMRYQH-UHFFFAOYSA-N 2 0 270.377 -0.217 20 0 CBADRP C[C@H](NC(=O)NCC[N@@H+]1CC[C@H](O)C1)[C@@H]1CCC[NH2+]C1 ZINC000627070438 356573739 /nfs/dbraw/zinc/57/37/39/356573739.db2.gz URYLMNZAZLQEDD-XQQFMLRXSA-N 2 0 284.404 -0.260 20 0 CBADRP [NH3+]C1(CNC(=O)N[C@@H]2CCC[NH2+]C2)CCOCC1 ZINC000627074981 356574773 /nfs/dbraw/zinc/57/47/73/356574773.db2.gz GPOZLHPNAZXVJF-SNVBAGLBSA-N 2 0 256.350 -0.455 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627078884 356576864 /nfs/dbraw/zinc/57/68/64/356576864.db2.gz FHPHLVRIVNTQIL-MNOVXSKESA-N 2 0 258.366 -0.209 20 0 CBADRP CCC[NH2+]CCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627081975 356577288 /nfs/dbraw/zinc/57/72/88/356577288.db2.gz YJFJUTDITSRYNL-NSHDSACASA-N 2 0 258.366 -0.648 20 0 CBADRP [NH3+][C@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000627082568 356577372 /nfs/dbraw/zinc/57/73/72/356577372.db2.gz HJRIWKQEDKWRBA-GHMZBOCLSA-N 2 0 256.350 -0.911 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)N(C)CCOCC[NH3+] ZINC000627080644 356577406 /nfs/dbraw/zinc/57/74/06/356577406.db2.gz NEKCXTJPUJWNTD-LLVKDONJSA-N 2 0 260.382 -0.024 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627081480 356577640 /nfs/dbraw/zinc/57/76/40/356577640.db2.gz ZAVLBUNVWSFVDO-NSHDSACASA-N 2 0 272.393 -0.130 20 0 CBADRP CC1(CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC[NH2+]CC1 ZINC000627084321 356578266 /nfs/dbraw/zinc/57/82/66/356578266.db2.gz SDDJHFYPDAKGQI-LBPRGKRZSA-N 2 0 284.404 -0.258 20 0 CBADRP C[C@]1(CNC(=O)NC[C@H]2COCC[NH2+]2)CCC[NH2+]C1 ZINC000627085822 356579228 /nfs/dbraw/zinc/57/92/28/356579228.db2.gz XCJFVTCDFGSLRV-AAEUAGOBSA-N 2 0 270.377 -0.336 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000627086776 356579678 /nfs/dbraw/zinc/57/96/78/356579678.db2.gz DCKNOJUKGBJAPM-RYUDHWBXSA-N 2 0 272.393 -0.138 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000627087265 356579792 /nfs/dbraw/zinc/57/97/92/356579792.db2.gz GWRRPCBPIQESDQ-QWRGUYRKSA-N 2 0 258.366 -0.480 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1([NH3+])CCOCC1 ZINC000627086870 356580180 /nfs/dbraw/zinc/58/01/80/356580180.db2.gz BWXPRKJUVVJCIA-QWRGUYRKSA-N 2 0 270.377 -0.209 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627090670 356581704 /nfs/dbraw/zinc/58/17/04/356581704.db2.gz YXBPSWVGIDVUNI-MNOVXSKESA-N 2 0 258.366 -0.650 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000627101484 356582859 /nfs/dbraw/zinc/58/28/59/356582859.db2.gz CGEWNCPWZMKGSU-VXGBXAGGSA-N 2 0 272.393 -0.009 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)NC[C@H]1COCC[NH2+]1)C(F)F ZINC000627099782 356583104 /nfs/dbraw/zinc/58/31/04/356583104.db2.gz XJUFUQXTFXMWMG-JGVFFNPUSA-N 2 0 266.292 -0.744 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)NC[C@H]2C[NH2+]CCCO2)C[NH2+]1 ZINC000627102468 356583406 /nfs/dbraw/zinc/58/34/06/356583406.db2.gz NKHPPYXNZIMIMB-GRYCIOLGSA-N 2 0 270.377 -0.195 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000627103804 356583598 /nfs/dbraw/zinc/58/35/98/356583598.db2.gz WEYRHVWQRNGORT-QWRGUYRKSA-N 2 0 258.366 -0.270 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000627103056 356583680 /nfs/dbraw/zinc/58/36/80/356583680.db2.gz XWZKPBWHVCBKOJ-IJLUTSLNSA-N 2 0 270.377 -0.520 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2C[NH2+]CCCO2)C[NH2+]1 ZINC000627102469 356583738 /nfs/dbraw/zinc/58/37/38/356583738.db2.gz NKHPPYXNZIMIMB-IJLUTSLNSA-N 2 0 270.377 -0.195 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000627103304 356583824 /nfs/dbraw/zinc/58/38/24/356583824.db2.gz OQBJKHANRRPYKF-WDEREUQCSA-N 2 0 258.366 -0.351 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NCCC1(C[NH3+])CC1 ZINC000627109388 356584416 /nfs/dbraw/zinc/58/44/16/356584416.db2.gz GPTIMTPXYGGYDH-UHFFFAOYSA-N 2 0 258.366 -0.268 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000627106083 356584508 /nfs/dbraw/zinc/58/45/08/356584508.db2.gz PMFUXJCPSKCHNU-RWMBFGLXSA-N 2 0 284.404 -0.090 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC1(C[NH3+])CCOCC1 ZINC000627108469 356584836 /nfs/dbraw/zinc/58/48/36/356584836.db2.gz VAYRTZNSAHRZHO-NXEZZACHSA-N 2 0 258.366 -0.081 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCOCCC[NH3+])C1 ZINC000627110495 356585329 /nfs/dbraw/zinc/58/53/29/356585329.db2.gz ARGWHOXIRUACSK-TXEJJXNPSA-N 2 0 272.393 -0.009 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627115492 356586321 /nfs/dbraw/zinc/58/63/21/356586321.db2.gz AEACPCXGPQXQRA-VXGBXAGGSA-N 2 0 272.393 -0.274 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)NCCOCCC[NH3+] ZINC000627216118 356607712 /nfs/dbraw/zinc/60/77/12/356607712.db2.gz OBXWCOQBIXIVPQ-UHFFFAOYSA-N 2 0 260.382 -0.055 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CC[NH+]2CCC1CC2 ZINC000627218354 356608127 /nfs/dbraw/zinc/60/81/27/356608127.db2.gz RJAWVGWUUCIGKI-UHFFFAOYSA-N 2 0 270.377 -0.159 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627218734 356608136 /nfs/dbraw/zinc/60/81/36/356608136.db2.gz FLMHENMSFKOZGR-LBPRGKRZSA-N 2 0 272.393 -0.007 20 0 CBADRP C[C@H]1CCN(C(=O)NCCOCCC[NH3+])C[C@H]1C[NH3+] ZINC000627219175 356608423 /nfs/dbraw/zinc/60/84/23/356608423.db2.gz RLFJAGAPHKXVTD-NWDGAFQWSA-N 2 0 272.393 -0.022 20 0 CBADRP CC1([NH3+])CCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627218726 356608467 /nfs/dbraw/zinc/60/84/67/356608467.db2.gz FGUKDOOPVHZMBN-UHFFFAOYSA-N 2 0 258.366 -0.125 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)NCCOCCC[NH3+])[C@H]1C ZINC000627219651 356608600 /nfs/dbraw/zinc/60/86/00/356608600.db2.gz ZVRKPVFRQIBQAS-QWRGUYRKSA-N 2 0 258.366 -0.256 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCCOCCC[NH3+])C2 ZINC000627219867 356608622 /nfs/dbraw/zinc/60/86/22/356608622.db2.gz FJTTUDYDLRBNLN-OKILXGFUSA-N 2 0 284.404 -0.007 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000627239278 356609327 /nfs/dbraw/zinc/60/93/27/356609327.db2.gz FUKHYPHATQBAMR-QWHCGFSZSA-N 3 0 285.436 -0.128 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000627226508 356609852 /nfs/dbraw/zinc/60/98/52/356609852.db2.gz MJIROZUILFDCIQ-NWDGAFQWSA-N 2 0 270.377 -0.160 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000627246304 356611490 /nfs/dbraw/zinc/61/14/90/356611490.db2.gz ZMDVPYYNOGNEKQ-SDDRHHMPSA-N 2 0 297.403 -0.767 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000627249414 356612082 /nfs/dbraw/zinc/61/20/82/356612082.db2.gz IYKNCRJSSRIECA-QWHCGFSZSA-N 2 0 282.388 -0.288 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000627249413 356612230 /nfs/dbraw/zinc/61/22/30/356612230.db2.gz IYKNCRJSSRIECA-CHWSQXEVSA-N 2 0 282.388 -0.288 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627249842 356613012 /nfs/dbraw/zinc/61/30/12/356613012.db2.gz IIHPNLRIVNJHIW-CYBMUJFWSA-N 2 0 283.420 -0.373 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000627260511 356615731 /nfs/dbraw/zinc/61/57/31/356615731.db2.gz JSJDWLLVTVFQOS-YNEHKIRRSA-N 2 0 269.389 -0.006 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N1CCN([C@H]2CCOC2)CC1 ZINC000627191546 356602128 /nfs/dbraw/zinc/60/21/28/356602128.db2.gz SHOHIBGABWASIA-STQMWFEESA-N 2 0 298.387 -0.909 20 0 CBADRP C[C@@H]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000627191302 356602177 /nfs/dbraw/zinc/60/21/77/356602177.db2.gz OEMSXTUMKHZRFN-WOPDTQHZSA-N 2 0 270.377 -0.256 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)[NH+](C)C ZINC000627260510 356615879 /nfs/dbraw/zinc/61/58/79/356615879.db2.gz JSJDWLLVTVFQOS-RWMBFGLXSA-N 2 0 269.389 -0.006 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)CC[C@H]1F ZINC000627192055 356603412 /nfs/dbraw/zinc/60/34/12/356603412.db2.gz ZBCLPHHDFKJICP-OPRDCNLKSA-N 2 0 260.313 -0.945 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C[NH2+]1 ZINC000627207732 356605087 /nfs/dbraw/zinc/60/50/87/356605087.db2.gz DELPIAAWEXTADZ-SDDRHHMPSA-N 2 0 270.377 -0.507 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)NCCOCCC[NH3+])C[NH2+]1 ZINC000627208046 356605294 /nfs/dbraw/zinc/60/52/94/356605294.db2.gz GCOILYRCNZVULZ-WDEREUQCSA-N 2 0 258.366 -0.209 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)C[NH2+]1 ZINC000627205981 356605383 /nfs/dbraw/zinc/60/53/83/356605383.db2.gz FYZQWTWBLCYZIK-VWYCJHECSA-N 2 0 256.350 -0.504 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C[NH2+]1 ZINC000627210987 356605952 /nfs/dbraw/zinc/60/59/52/356605952.db2.gz YUORTGATFPCLRQ-WDEREUQCSA-N 2 0 268.361 -0.489 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[NH2+]1 ZINC000627210903 356606095 /nfs/dbraw/zinc/60/60/95/356606095.db2.gz XNEXIRVCYPSOJE-QNWHQSFQSA-N 2 0 282.388 -0.413 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000627352609 356631032 /nfs/dbraw/zinc/63/10/32/356631032.db2.gz BYIDHNWCKCBJKL-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@H+](CC)C1CC1 ZINC000627364937 356632307 /nfs/dbraw/zinc/63/23/07/356632307.db2.gz ARMSZQDLURAFNM-QWHCGFSZSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)C(C)(C)C[NH+](C)C ZINC000627369113 356634432 /nfs/dbraw/zinc/63/44/32/356634432.db2.gz KZZZRYGUXVYTAC-QJPTWQEYSA-N 2 0 298.431 -0.055 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000627372884 356634990 /nfs/dbraw/zinc/63/49/90/356634990.db2.gz ZHTKTGXSQWGNLR-WCFLWFBJSA-N 2 0 296.415 -0.158 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000627378049 356635137 /nfs/dbraw/zinc/63/51/37/356635137.db2.gz ATUSVMAMFAVFIP-GMXVVIOVSA-N 2 0 294.399 -0.547 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000627290291 356621200 /nfs/dbraw/zinc/62/12/00/356621200.db2.gz LERGRYHLOXHIPH-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000627378676 356635327 /nfs/dbraw/zinc/63/53/27/356635327.db2.gz QWMOLVANNMJNOU-WUHRBBMRSA-N 2 0 294.399 -0.404 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NCC1CC[NH+](CC)CC1 ZINC000627302686 356622429 /nfs/dbraw/zinc/62/24/29/356622429.db2.gz VSPZWUJDFIASJQ-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627307957 356623825 /nfs/dbraw/zinc/62/38/25/356623825.db2.gz CRSXQFPFMYWMEO-LLVKDONJSA-N 2 0 287.323 -0.571 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000627319139 356625760 /nfs/dbraw/zinc/62/57/60/356625760.db2.gz KVBBVGJZCHAFQI-CYBMUJFWSA-N 2 0 296.415 -0.347 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000627421491 356643711 /nfs/dbraw/zinc/64/37/11/356643711.db2.gz LGQRMFHLBCLMBG-UHFFFAOYSA-N 2 0 284.404 -0.217 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000627425239 356644841 /nfs/dbraw/zinc/64/48/41/356644841.db2.gz IZEVYQFQXKHYLK-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[NH2+]1 ZINC000627425038 356645005 /nfs/dbraw/zinc/64/50/05/356645005.db2.gz CGPOITXTEQMVLZ-NDBYEHHHSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627429020 356645262 /nfs/dbraw/zinc/64/52/62/356645262.db2.gz VCSSHZDDGUWGMN-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000627428961 356645775 /nfs/dbraw/zinc/64/57/75/356645775.db2.gz TWGPGXVXDZJOKC-AGIUHOORSA-N 2 0 296.415 -0.156 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000627378972 356636315 /nfs/dbraw/zinc/63/63/15/356636315.db2.gz ZHRBWTVMSQSPEM-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)C[NH+]1CCCC1 ZINC000627398888 356639137 /nfs/dbraw/zinc/63/91/37/356639137.db2.gz YWPJUTZIDOWDCS-RWMBFGLXSA-N 2 0 296.415 -0.299 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000627507196 356661716 /nfs/dbraw/zinc/66/17/16/356661716.db2.gz GOKRTOARIIHJPK-QWHCGFSZSA-N 2 0 294.399 -0.591 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C[NH2+]1 ZINC000627477419 356653604 /nfs/dbraw/zinc/65/36/04/356653604.db2.gz VMSNZTWVRHHRPZ-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000627501425 356658776 /nfs/dbraw/zinc/65/87/76/356658776.db2.gz JUGQVPVFVAKTHR-QNWHQSFQSA-N 2 0 294.399 -0.452 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000627503437 356659831 /nfs/dbraw/zinc/65/98/31/356659831.db2.gz MHYXEKSJUWJMMP-GARJFASQSA-N 2 0 268.361 -0.937 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627504126 356659993 /nfs/dbraw/zinc/65/99/93/356659993.db2.gz WTZBHCZQZJRXMY-UPJWGTAASA-N 2 0 294.399 -0.593 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627504265 356660072 /nfs/dbraw/zinc/66/00/72/356660072.db2.gz FYGOPRUOYFEYIN-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423512590 283217341 /nfs/dbraw/zinc/21/73/41/283217341.db2.gz OTUDKGPRXOVUSN-CHWSQXEVSA-N 2 0 298.431 -0.018 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000423509642 283217541 /nfs/dbraw/zinc/21/75/41/283217541.db2.gz LRIBTZXQCKSNSJ-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH2+]CCOCC[NH2+][C@H](C1CC1)[C@H]1CNCCO1 ZINC000629531266 356776802 /nfs/dbraw/zinc/77/68/02/356776802.db2.gz GBGDBDFFDYDGJO-CHWSQXEVSA-N 2 0 257.378 -0.421 20 0 CBADRP CCS(=O)(=O)C[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629538165 356777390 /nfs/dbraw/zinc/77/73/90/356777390.db2.gz MTBCMDHZVBSRET-SNVBAGLBSA-N 2 0 252.380 -0.235 20 0 CBADRP C[NH+](C)CCCCC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629173112 356752485 /nfs/dbraw/zinc/75/24/85/356752485.db2.gz DATGKJAMNWYJRC-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000629572460 356780782 /nfs/dbraw/zinc/78/07/82/356780782.db2.gz UAHGLJICFWWTFF-UHFFFAOYSA-N 2 0 286.420 -0.682 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000629801583 356796624 /nfs/dbraw/zinc/79/66/24/356796624.db2.gz AUBGGPMPBHYBSM-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000629917409 356809128 /nfs/dbraw/zinc/80/91/28/356809128.db2.gz XSVAAEWZLACOET-RYUDHWBXSA-N 2 0 255.362 -0.489 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1O ZINC000629993518 356814775 /nfs/dbraw/zinc/81/47/75/356814775.db2.gz DAXRIDFTCAVJRN-RYUDHWBXSA-N 2 0 255.362 -0.396 20 0 CBADRP C[N@H+](CC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)C1CCC1 ZINC000630022345 356818758 /nfs/dbraw/zinc/81/87/58/356818758.db2.gz DWHAHRIAZCRDSI-ZDUSSCGKSA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@H+](CC(=O)NCC[NH+]1CC[C@@H](O)C1)C1CCC1 ZINC000630026424 356819146 /nfs/dbraw/zinc/81/91/46/356819146.db2.gz NQYMSOBBQLWWEC-GFCCVEGCSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@@]1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CCC(=O)N1 ZINC000629579498 356782457 /nfs/dbraw/zinc/78/24/57/356782457.db2.gz DWHBZQHRMNUUEQ-AAEUAGOBSA-N 2 0 255.362 -0.299 20 0 CBADRP C[N@H+](CCOCC[NH3+])CCN1C(=O)NC(C)(C)C1=O ZINC000629579039 356783091 /nfs/dbraw/zinc/78/30/91/356783091.db2.gz PAHNHONXXWBDMC-UHFFFAOYSA-N 2 0 272.349 -0.776 20 0 CBADRP OCC[N@@H+]1CCCC[C@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000629585037 356783933 /nfs/dbraw/zinc/78/39/33/356783933.db2.gz YKCIRKOJKCHCDY-LSDHHAIUSA-N 2 0 285.432 -0.121 20 0 CBADRP OCCC[N@@H+]1CCC[C@@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000629584409 356784073 /nfs/dbraw/zinc/78/40/73/356784073.db2.gz QJERRWPHOFJNQC-CABCVRRESA-N 2 0 285.432 -0.121 20 0 CBADRP OC[C@@H](C[NH+]1CCCC1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000629596051 356785026 /nfs/dbraw/zinc/78/50/26/356785026.db2.gz QTTNURBNPXSDSH-ZIAGYGMSSA-N 2 0 271.405 -0.511 20 0 CBADRP O[C@H](CNCC[N@@H+]1CC[C@@H](O)C1)C[NH+]1CCCC1 ZINC000629606762 356786042 /nfs/dbraw/zinc/78/60/42/356786042.db2.gz MHMUBMLGJGHFEO-CHWSQXEVSA-N 2 0 257.378 -0.901 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000629608228 356787238 /nfs/dbraw/zinc/78/72/38/356787238.db2.gz WCBXJFKEDPXVCS-RBSFLKMASA-N 2 0 283.416 -0.248 20 0 CBADRP CO[C@@H]1CN(S(=O)(=O)CCC[NH+](C)C)[C@](C)(C[NH3+])C1 ZINC000630369255 356839684 /nfs/dbraw/zinc/83/96/84/356839684.db2.gz WEWMQBAVIBLYEB-RYUDHWBXSA-N 2 0 293.433 -0.294 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@H]([NH3+])CC(F)F)[C@](C)(C[NH3+])C1 ZINC000630373482 356840380 /nfs/dbraw/zinc/84/03/80/356840380.db2.gz KGSPWAYVQFIZDN-RNSXUZJQSA-N 2 0 265.304 -0.066 20 0 CBADRP C[NH+](C)CCCn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000630584951 356852693 /nfs/dbraw/zinc/85/26/93/356852693.db2.gz FUZRSANHXCQZLJ-UHFFFAOYSA-N 2 0 266.393 -0.323 20 0 CBADRP COCC[NH2+]CCc1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000630596777 356854350 /nfs/dbraw/zinc/85/43/50/356854350.db2.gz RMXCSARDRKRFEJ-LBPRGKRZSA-N 2 0 253.350 -0.019 20 0 CBADRP COCC[NH2+]CCc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630604895 356854444 /nfs/dbraw/zinc/85/44/44/356854444.db2.gz DZFQUSOVLDTQLH-LLVKDONJSA-N 2 0 253.350 -0.191 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NC[C@H]1CCC[N@@H+]1C ZINC000631800026 356907745 /nfs/dbraw/zinc/90/77/45/356907745.db2.gz PDXZQRLXBPQDMY-LLVKDONJSA-N 2 0 263.407 -0.048 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000631849827 356912321 /nfs/dbraw/zinc/91/23/21/356912321.db2.gz VXEVSLOJXMLLBP-STQMWFEESA-N 2 0 266.389 -0.367 20 0 CBADRP O=C(CCN1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1 ZINC000631852824 356913111 /nfs/dbraw/zinc/91/31/11/356913111.db2.gz GLUDNDNATJOSKT-TXEJJXNPSA-N 2 0 252.362 -0.756 20 0 CBADRP CS(=O)(=O)N[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000631867338 356914807 /nfs/dbraw/zinc/91/48/07/356914807.db2.gz QWWJICQMYBOJLC-VXGBXAGGSA-N 2 0 275.418 0.000 20 0 CBADRP CS(=O)(=O)N[C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000631867337 356914854 /nfs/dbraw/zinc/91/48/54/356914854.db2.gz QWWJICQMYBOJLC-RYUDHWBXSA-N 2 0 275.418 0.000 20 0 CBADRP [NH3+]C1(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)CCCCC1 ZINC000631900141 356916817 /nfs/dbraw/zinc/91/68/17/356916817.db2.gz ILZKKSHUOKRUJE-LLVKDONJSA-N 2 0 291.417 -0.444 20 0 CBADRP C[C@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]C1 ZINC000631902657 356918881 /nfs/dbraw/zinc/91/88/81/356918881.db2.gz NQHBFULYXDXPOJ-TUAOUCFPSA-N 2 0 291.417 -0.718 20 0 CBADRP C[C@@H](C[NH3+])N(C)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631903990 356919558 /nfs/dbraw/zinc/91/95/58/356919558.db2.gz ALCBODNDRFCVIL-LBPRGKRZSA-N 2 0 292.449 -0.767 20 0 CBADRP CN([C@@H]1CC[NH2+]C1)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631904421 356920608 /nfs/dbraw/zinc/92/06/08/356920608.db2.gz NCXYNIVIMDAHLX-LLVKDONJSA-N 2 0 276.406 -0.791 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631904976 356920610 /nfs/dbraw/zinc/92/06/10/356920610.db2.gz CPBQQSMXJAQXER-SRVKXCTJSA-N 2 0 291.417 -0.636 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631904819 356920725 /nfs/dbraw/zinc/92/07/25/356920725.db2.gz ZNLIXTHNQJJMSE-WDEREUQCSA-N 2 0 279.406 -0.732 20 0 CBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000631908650 356921971 /nfs/dbraw/zinc/92/19/71/356921971.db2.gz WBEXOLNQAVFUIZ-VXGBXAGGSA-N 2 0 289.401 -0.869 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000631908649 356922024 /nfs/dbraw/zinc/92/20/24/356922024.db2.gz WBEXOLNQAVFUIZ-RYUDHWBXSA-N 2 0 289.401 -0.869 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000631930555 356925156 /nfs/dbraw/zinc/92/51/56/356925156.db2.gz OUILXYAGQKIBFS-WDEREUQCSA-N 2 0 290.433 -0.226 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000631931549 356925313 /nfs/dbraw/zinc/92/53/13/356925313.db2.gz KZWDVPCDVDCIRC-NEPJUHHUSA-N 2 0 275.418 -0.048 20 0 CBADRP COCC[NH2+]CCNS(=O)(=O)CCC[NH+](C)C ZINC000631933138 356926092 /nfs/dbraw/zinc/92/60/92/356926092.db2.gz CUHLIADGQVBULH-UHFFFAOYSA-N 2 0 267.395 -0.907 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000631934622 356926863 /nfs/dbraw/zinc/92/68/63/356926863.db2.gz GAGSHMLUZSSVGI-UHFFFAOYSA-N 2 0 261.391 -0.223 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000631934749 356926990 /nfs/dbraw/zinc/92/69/90/356926990.db2.gz JNKBKJFBAPTOOS-LLVKDONJSA-N 2 0 263.407 0.000 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)CCC[NH+](C)C ZINC000631935083 356927025 /nfs/dbraw/zinc/92/70/25/356927025.db2.gz PNSFWGSUDNQXCW-GHMZBOCLSA-N 2 0 263.407 -0.145 20 0 CBADRP COC[C@]1(CNS(=O)(=O)CCC[NH+](C)C)CCC[NH2+]1 ZINC000631936998 356928163 /nfs/dbraw/zinc/92/81/63/356928163.db2.gz QOCHRSIUNPVEML-GFCCVEGCSA-N 2 0 293.433 -0.374 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000631938799 356928710 /nfs/dbraw/zinc/92/87/10/356928710.db2.gz MMNKWHXALZFHKQ-NSHDSACASA-N 2 0 275.418 0.000 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631939472 356928733 /nfs/dbraw/zinc/92/87/33/356928733.db2.gz AWWWDQMRVGKBMG-VXGBXAGGSA-N 2 0 292.449 -0.721 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631939471 356928791 /nfs/dbraw/zinc/92/87/91/356928791.db2.gz AWWWDQMRVGKBMG-RYUDHWBXSA-N 2 0 292.449 -0.721 20 0 CBADRP CN([C@H](C[NH3+])C1CC1)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631938590 356928824 /nfs/dbraw/zinc/92/88/24/356928824.db2.gz HTGKCVCXKAIYPN-GFCCVEGCSA-N 2 0 290.433 -0.416 20 0 CBADRP C[C@H](CCCC[NH3+])NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631939248 356928848 /nfs/dbraw/zinc/92/88/48/356928848.db2.gz WCOWZXNAPNCBKY-MNOVXSKESA-N 2 0 279.406 -0.588 20 0 CBADRP CC[C@@H]([NH3+])CNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631939481 356928898 /nfs/dbraw/zinc/92/88/98/356928898.db2.gz BKNDFGFWHZGSQI-SECBINFHSA-N 2 0 264.395 -0.758 20 0 CBADRP CN([C@H](C[NH3+])C1CC1)S(=O)(=O)CCC[NH+](C)C ZINC000631939321 356929040 /nfs/dbraw/zinc/92/90/40/356929040.db2.gz XMPILOOGOPRGMC-LLVKDONJSA-N 2 0 263.407 -0.063 20 0 CBADRP CN(C1CC([NH3+])C1)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631940160 356929634 /nfs/dbraw/zinc/92/96/34/356929634.db2.gz QEXXNVGJTHYSIX-UHFFFAOYSA-N 2 0 276.406 -0.664 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000631940830 356929672 /nfs/dbraw/zinc/92/96/72/356929672.db2.gz HPVQKOUKFHFEHN-NSHDSACASA-N 2 0 279.406 -0.764 20 0 CBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCCC[C@@H]1CCC[NH2+]1 ZINC000631940861 356929899 /nfs/dbraw/zinc/92/98/99/356929899.db2.gz IFRUWSWLSXSRCF-NWDGAFQWSA-N 2 0 291.417 -0.574 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000631942454 356930567 /nfs/dbraw/zinc/93/05/67/356930567.db2.gz YDGWGVXWTXLMQY-NSHDSACASA-N 2 0 263.407 0.000 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NC(C)(C)CC[NH3+] ZINC000631945610 356930880 /nfs/dbraw/zinc/93/08/80/356930880.db2.gz DWRXMDKYXNHKRA-UHFFFAOYSA-N 2 0 278.422 -0.368 20 0 CBADRP CN(CC(C)(C)[NH3+])S(=O)(=O)CCC[NH+](C)C ZINC000631949352 356931775 /nfs/dbraw/zinc/93/17/75/356931775.db2.gz DPRXVJOXLJSCCN-UHFFFAOYSA-N 2 0 251.396 -0.063 20 0 CBADRP C[C@H](CCNS(=O)(=O)N(C)C1CC[NH2+]CC1)[NH+](C)C ZINC000631950781 356931895 /nfs/dbraw/zinc/93/18/95/356931895.db2.gz PWUXUXIDSNLWIP-LLVKDONJSA-N 2 0 292.449 -0.155 20 0 CBADRP C[C@@H](CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1)[NH+](C)C ZINC000631950333 356931914 /nfs/dbraw/zinc/93/19/14/356931914.db2.gz GFODNLSSZZHKGE-WDEREUQCSA-N 2 0 279.406 -0.766 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CC2CC1(C[NH3+])C2 ZINC000631951472 356932019 /nfs/dbraw/zinc/93/20/19/356932019.db2.gz IGUJUHJYZDFEDF-UHFFFAOYSA-N 2 0 261.391 -0.309 20 0 CBADRP C[C@@H]1CC[C@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)C[NH2+]1 ZINC000631955149 356934033 /nfs/dbraw/zinc/93/40/33/356934033.db2.gz FJRBWKGRKWTIQN-OUAUKWLOSA-N 2 0 277.390 -0.965 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NC1(C[NH3+])CCOCC1 ZINC000631955427 356934932 /nfs/dbraw/zinc/93/49/32/356934932.db2.gz JXAAJSOLUQGORW-UHFFFAOYSA-N 2 0 279.406 -0.635 20 0 CBADRP C[C@H]1CC[C@H](NS(=O)(=O)N(C)C2CC[NH2+]CC2)C[NH2+]1 ZINC000631955832 356935079 /nfs/dbraw/zinc/93/50/79/356935079.db2.gz PSSLCNAZROGGBC-QWRGUYRKSA-N 2 0 290.433 -0.355 20 0 CBADRP C[C@H]1CC[C@@H](NS(=O)(=O)N(C)C2CC[NH2+]CC2)C[NH2+]1 ZINC000631955833 356935143 /nfs/dbraw/zinc/93/51/43/356935143.db2.gz PSSLCNAZROGGBC-WDEREUQCSA-N 2 0 290.433 -0.355 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000632360179 356977359 /nfs/dbraw/zinc/97/73/59/356977359.db2.gz RYCUXWMWHPWUEI-RYUDHWBXSA-N 2 0 275.418 -0.096 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632860116 357029313 /nfs/dbraw/zinc/02/93/13/357029313.db2.gz FBRHUDCIPSWYCL-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)CC[N@@H+]1C ZINC000633072543 357039491 /nfs/dbraw/zinc/03/94/91/357039491.db2.gz PFANPNNLFFMZEZ-SDDRHHMPSA-N 2 0 257.378 -0.245 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000633079653 357041115 /nfs/dbraw/zinc/04/11/15/357041115.db2.gz YUBUHWFNRXNRGX-CHWSQXEVSA-N 2 0 296.415 -0.406 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633086298 357041466 /nfs/dbraw/zinc/04/14/66/357041466.db2.gz OWSHUFNCTFEEHF-RYUDHWBXSA-N 2 0 280.372 -0.887 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633095595 357044720 /nfs/dbraw/zinc/04/47/20/357044720.db2.gz XLGHTZLCOAMJGT-CYDGBPFRSA-N 2 0 294.399 -0.642 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633101479 357045106 /nfs/dbraw/zinc/04/51/06/357045106.db2.gz BSBDOZHBGMZROD-AVGNSLFASA-N 2 0 294.399 -0.452 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633102491 357046039 /nfs/dbraw/zinc/04/60/39/357046039.db2.gz UMKNZAYLSJDMLG-BETUJISGSA-N 2 0 296.415 -0.252 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633106695 357047107 /nfs/dbraw/zinc/04/71/07/357047107.db2.gz KXANTVZGWNUSBC-UHFFFAOYSA-N 2 0 296.415 -0.120 20 0 CBADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)C2)C1 ZINC000633115045 357048845 /nfs/dbraw/zinc/04/88/45/357048845.db2.gz LPZZJGMSIAISHL-SLEUVZQESA-N 2 0 292.383 -0.887 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000633115906 357049615 /nfs/dbraw/zinc/04/96/15/357049615.db2.gz NCKUYPGNWNFTKC-NWDGAFQWSA-N 2 0 282.388 -0.511 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000633115263 357049726 /nfs/dbraw/zinc/04/97/26/357049726.db2.gz INGPEIMGHYVUHX-DGCLKSJQSA-N 2 0 296.415 -0.265 20 0 CBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000633118308 357050187 /nfs/dbraw/zinc/05/01/87/357050187.db2.gz JNBSLAJAJUVFCJ-NWDGAFQWSA-N 2 0 296.415 -0.077 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)C1 ZINC000633119634 357050701 /nfs/dbraw/zinc/05/07/01/357050701.db2.gz QCOAUFLYNNRQTE-FRRDWIJNSA-N 2 0 296.415 -0.077 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)C1 ZINC000633119637 357050753 /nfs/dbraw/zinc/05/07/53/357050753.db2.gz QCOAUFLYNNRQTE-JHJVBQTASA-N 2 0 296.415 -0.077 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000633141374 357051907 /nfs/dbraw/zinc/05/19/07/357051907.db2.gz JORTWDLPUXSVBK-CHWSQXEVSA-N 2 0 296.415 -0.121 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C1(OC)CC[NH2+]CC1 ZINC000634286871 357114819 /nfs/dbraw/zinc/11/48/19/357114819.db2.gz HPLKCDBSCPIWQI-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)C1(OC)CC[NH2+]CC1 ZINC000634286870 357115000 /nfs/dbraw/zinc/11/50/00/357115000.db2.gz HPLKCDBSCPIWQI-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(NC[C@@H]1CCCC[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000634268548 357113218 /nfs/dbraw/zinc/11/32/18/357113218.db2.gz AVDSEBYIPOQRMI-TUAOUCFPSA-N 2 0 252.362 -0.011 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C[C@@H]1COCC[NH2+]1)C2 ZINC000634744226 357132327 /nfs/dbraw/zinc/13/23/27/357132327.db2.gz RJAMFWFZOLOJAL-BNOWGMLFSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1C[NH2+]CCO1)C2 ZINC000634750028 357132622 /nfs/dbraw/zinc/13/26/22/357132622.db2.gz LFKFDNBKTOCVFE-WCFLWFBJSA-N 2 0 253.346 -0.567 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634765502 357134139 /nfs/dbraw/zinc/13/41/39/357134139.db2.gz UZLUFNZPMCRGJV-MDZLAQPJSA-N 2 0 253.346 -0.377 20 0 CBADRP C[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@H]1C[NH3+] ZINC000634999387 357141961 /nfs/dbraw/zinc/14/19/61/357141961.db2.gz TYXCNVXCVXPDTH-FRRDWIJNSA-N 3 0 268.405 -0.290 20 0 CBADRP CS(=O)(=O)N1CC[C@H](C[NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000634995854 357142019 /nfs/dbraw/zinc/14/20/19/357142019.db2.gz QXQZQTCRASAZOE-VOMCLLRMSA-N 2 0 273.402 -0.391 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@@H](CN2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000635001745 357142094 /nfs/dbraw/zinc/14/20/94/357142094.db2.gz CEJIVQWQJCJKAN-RWMBFGLXSA-N 2 0 266.389 -0.380 20 0 CBADRP CNS(=O)(=O)CCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000635003662 357142467 /nfs/dbraw/zinc/14/24/67/357142467.db2.gz APSVRCSPMISJNS-GHMZBOCLSA-N 2 0 263.407 -0.097 20 0 CBADRP C[C@H](C(=O)N1CCN(CC[NH+](C)C)CC1)[NH+](C)C ZINC000635137414 357150016 /nfs/dbraw/zinc/15/00/16/357150016.db2.gz PQOHMJLPBWBHKQ-GFCCVEGCSA-N 2 0 256.394 -0.358 20 0 CBADRP C[NH+](C)CC(=O)N1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635262732 357155168 /nfs/dbraw/zinc/15/51/68/357155168.db2.gz AFAAEFNCDMSQLV-ZDUSSCGKSA-N 2 0 296.415 -0.439 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(N)=O ZINC000635466403 357166419 /nfs/dbraw/zinc/16/64/19/357166419.db2.gz VRAZLKNLMYWRLL-LLVKDONJSA-N 2 0 270.377 -0.654 20 0 CBADRP C[C@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+](C)C ZINC000635489912 357168140 /nfs/dbraw/zinc/16/81/40/357168140.db2.gz ZPUKMBUOEYOUHX-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP O=C(CC[N@@H+]1C[C@@H]2COC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000634687911 357127259 /nfs/dbraw/zinc/12/72/59/357127259.db2.gz CORJILQSTCSGCJ-TXEJJXNPSA-N 2 0 253.346 -0.614 20 0 CBADRP C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC000635704534 357194702 /nfs/dbraw/zinc/19/47/02/357194702.db2.gz WAGPRNNMTKBYKN-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000635801218 357210005 /nfs/dbraw/zinc/21/00/05/357210005.db2.gz HHLNZCGMWCJLMR-AAEUAGOBSA-N 2 0 255.362 -0.489 20 0 CBADRP C[NH+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000635801220 357210300 /nfs/dbraw/zinc/21/03/00/357210300.db2.gz HHLNZCGMWCJLMR-WCQYABFASA-N 2 0 255.362 -0.489 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000635900878 357228248 /nfs/dbraw/zinc/22/82/48/357228248.db2.gz YOLDYDSPPXVUOH-KGLIPLIRSA-N 2 0 280.416 -0.166 20 0 CBADRP C[C@H](C(=O)NCCC[NH+]1CCC(O)CC1)[NH+](C)C ZINC000635580399 357180318 /nfs/dbraw/zinc/18/03/18/357180318.db2.gz BPLODVZJVASHSV-LLVKDONJSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000635631689 357185227 /nfs/dbraw/zinc/18/52/27/357185227.db2.gz WTVLPFUYYXEMEU-UHFFFAOYSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000636645213 357295914 /nfs/dbraw/zinc/29/59/14/357295914.db2.gz NSIRXJVMMQXLSI-NWDGAFQWSA-N 2 0 270.377 -0.554 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000636141377 357267276 /nfs/dbraw/zinc/26/72/76/357267276.db2.gz WOMRNVCWOVGHLM-NWDGAFQWSA-N 2 0 267.373 -0.394 20 0 CBADRP C[C@H](C(=O)NCCN(C)CCC[NH+](C)C)[NH+](C)C ZINC000636171736 357268475 /nfs/dbraw/zinc/26/84/75/357268475.db2.gz PJIHFTLQHQBYHJ-GFCCVEGCSA-N 2 0 258.410 -0.064 20 0 CBADRP C[C@H](C(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)[NH+](C)C)C1)[NH+](C)C ZINC000636243499 357273759 /nfs/dbraw/zinc/27/37/59/357273759.db2.gz UKDAVFICTNZNME-JHJVBQTASA-N 2 0 298.431 -0.006 20 0 CBADRP CN1CCOC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636278940 357275915 /nfs/dbraw/zinc/27/59/15/357275915.db2.gz CHVQUOZPLQDEQI-VXGBXAGGSA-N 2 0 255.362 -0.225 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000636286820 357276789 /nfs/dbraw/zinc/27/67/89/357276789.db2.gz FLEBYIIYWMRGJI-CYBMUJFWSA-N 2 0 299.415 -0.472 20 0 CBADRP [NH3+]C[C@@]1(C(=O)NC[C@H]2CCC[NH2+]C2)CCCOC1 ZINC000637815086 357369396 /nfs/dbraw/zinc/36/93/96/357369396.db2.gz RTPYNXVDIVPIKA-AAEUAGOBSA-N 2 0 255.362 -0.142 20 0 CBADRP C[C@H](C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[NH+](C)C ZINC000637815624 357369809 /nfs/dbraw/zinc/36/98/09/357369809.db2.gz VFNHHPXFJMNPRK-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP C[N@H+](CC(=O)NCC(=O)N1CC[NH2+]CC1)CC(C)(C)C ZINC000637812985 357369988 /nfs/dbraw/zinc/36/99/88/357369988.db2.gz GXKISGDQIJWANV-UHFFFAOYSA-N 2 0 284.404 -0.488 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000637818109 357371029 /nfs/dbraw/zinc/37/10/29/357371029.db2.gz AJXYJGAHCBOSNJ-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H](NC(=O)[C@]1(C)C[NH2+]CCO1)[C@@H]1CCC[NH2+]C1 ZINC000637822278 357371728 /nfs/dbraw/zinc/37/17/28/357371728.db2.gz YUFQCIYOFLYSCC-LOWVWBTDSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+](C)C ZINC000637822126 357371763 /nfs/dbraw/zinc/37/17/63/357371763.db2.gz ZZTFIZKVZMOCGZ-GHMZBOCLSA-N 2 0 270.377 -0.750 20 0 CBADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000637864156 357378072 /nfs/dbraw/zinc/37/80/72/357378072.db2.gz NTQKNYHRHXMLBR-NEPJUHHUSA-N 2 0 256.394 -0.149 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NC(C)(C)C[NH3+])cn1 ZINC000637830794 357372298 /nfs/dbraw/zinc/37/22/98/357372298.db2.gz GBLZFPAXXBMJQE-UHFFFAOYSA-N 2 0 253.350 -0.088 20 0 CBADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000637830095 357372511 /nfs/dbraw/zinc/37/25/11/357372511.db2.gz RDEGJMXUVIXENI-MFKMUULPSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000637828262 357372534 /nfs/dbraw/zinc/37/25/34/357372534.db2.gz DLEPJNPLQDHRMO-NSHDSACASA-N 2 0 254.378 -0.523 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637833459 357373884 /nfs/dbraw/zinc/37/38/84/357373884.db2.gz SCSOHUHZBBSTKR-GFCCVEGCSA-N 2 0 252.362 -0.603 20 0 CBADRP CN(C(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CC[NH2+]C1 ZINC000637837324 357373965 /nfs/dbraw/zinc/37/39/65/357373965.db2.gz DIBHPZLUNYKSQP-SRVKXCTJSA-N 2 0 253.346 -0.330 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)C1(C[NH+](C)C)CC1 ZINC000637834727 357374240 /nfs/dbraw/zinc/37/42/40/357374240.db2.gz GEZSNGUTWMNYHE-UHFFFAOYSA-N 2 0 268.405 -0.308 20 0 CBADRP CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000636912584 357311215 /nfs/dbraw/zinc/31/12/15/357311215.db2.gz KGWXIQCNNNCLRY-UPJWGTAASA-N 2 0 284.404 -0.308 20 0 CBADRP COC[C@]1(C(=O)N(C)[C@H]2CC[NH2+]C2)CCCC[NH2+]1 ZINC000637838085 357374525 /nfs/dbraw/zinc/37/45/25/357374525.db2.gz QQZIXENLMFRURG-AAEUAGOBSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637001076 357316363 /nfs/dbraw/zinc/31/63/63/357316363.db2.gz GLXAKNRFNGPIKP-AAEUAGOBSA-N 2 0 272.393 -0.260 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]2(C[NH3+])CCCOC2)C[C@@H](C)[NH2+]1 ZINC000637841146 357374864 /nfs/dbraw/zinc/37/48/64/357374864.db2.gz RAYPTJMQRPQSNB-NQBHXWOUSA-N 2 0 255.362 -0.049 20 0 CBADRP COC[C@@]1(C(=O)N(C)[C@@H]2CC[NH2+]C2)CCCC[NH2+]1 ZINC000637838086 357375175 /nfs/dbraw/zinc/37/51/75/357375175.db2.gz QQZIXENLMFRURG-DGCLKSJQSA-N 2 0 255.362 -0.035 20 0 CBADRP COC[C@]1(CNC(=O)NCC[NH2+]C2CC2)CCC[NH2+]1 ZINC000637339587 357339352 /nfs/dbraw/zinc/33/93/52/357339352.db2.gz KEPDWAUFDXWVNX-CYBMUJFWSA-N 2 0 270.377 -0.194 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC[NH2+]C1CC1 ZINC000637347754 357339369 /nfs/dbraw/zinc/33/93/69/357339369.db2.gz JZABCPCKBZNCNL-UHFFFAOYSA-N 3 0 285.436 -0.127 20 0 CBADRP O=C(NCC[NH2+]C1CC1)NC[C@H]1CCCC[N@H+]1CCO ZINC000637347757 357339518 /nfs/dbraw/zinc/33/95/18/357339518.db2.gz KBBHLZJQYBCXJF-CYBMUJFWSA-N 2 0 284.404 -0.116 20 0 CBADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCC[NH3+] ZINC000637798427 357365538 /nfs/dbraw/zinc/36/55/38/357365538.db2.gz YAJHTIHKQVXLOT-GFCCVEGCSA-N 2 0 250.346 -0.479 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@]2(COC)CCCC[NH2+]2)C1 ZINC000637802528 357366696 /nfs/dbraw/zinc/36/66/96/357366696.db2.gz SEXQKXSAUFRLJB-YPMHNXCESA-N 2 0 255.362 -0.035 20 0 CBADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@H]1CC[NH2+]C1 ZINC000637811493 357368710 /nfs/dbraw/zinc/36/87/10/357368710.db2.gz MFKOGCVFGJJSNJ-UONOGXRCSA-N 2 0 276.384 -0.076 20 0 CBADRP Cc1cc(C[NH3+])oc1C(=O)NCCN1CC[NH2+]CC1 ZINC000637810739 357368916 /nfs/dbraw/zinc/36/89/16/357368916.db2.gz KLYVPWOBJKBFOU-UHFFFAOYSA-N 2 0 266.345 -0.318 20 0 CBADRP [NH3+][C@H]1CCc2nc(NC(=O)CN3CC[NH2+]CC3)sc2C1 ZINC000638234995 357441705 /nfs/dbraw/zinc/44/17/05/357441705.db2.gz REMQYMGPKBWZIQ-VIFPVBQESA-N 2 0 295.412 -0.197 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638047600 357405014 /nfs/dbraw/zinc/40/50/14/357405014.db2.gz IHBFNHXBISWPLR-AAEUAGOBSA-N 2 0 255.362 -0.035 20 0 CBADRP CC(C)C[NH+]1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638051732 357405927 /nfs/dbraw/zinc/40/59/27/357405927.db2.gz PMJSGMRKKQGWOL-NWDGAFQWSA-N 2 0 255.362 -0.097 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000638240273 357442057 /nfs/dbraw/zinc/44/20/57/357442057.db2.gz ICUKSNBRNGHDRS-KGLIPLIRSA-N 2 0 280.416 -0.166 20 0 CBADRP C[C@]1(C(=O)NCC[NH+]2CCCCC2)C[NH2+]CCO1 ZINC000638055611 357406269 /nfs/dbraw/zinc/40/62/69/357406269.db2.gz GWFRESYLXUNEGA-CYBMUJFWSA-N 2 0 255.362 -0.033 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)[C@@]2(C)C[NH2+]CCO2)C[C@@H](C)O1 ZINC000638060528 357407447 /nfs/dbraw/zinc/40/74/47/357407447.db2.gz NAOORPLKXBXGSQ-UMVBOHGHSA-N 2 0 299.415 -0.020 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)[C@]2(C)C[NH2+]CCO2)C[C@@H](C)O1 ZINC000638060527 357407576 /nfs/dbraw/zinc/40/75/76/357407576.db2.gz NAOORPLKXBXGSQ-NFAWXSAZSA-N 2 0 299.415 -0.020 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NCCCC[NH+]1CCOCC1 ZINC000638066489 357409041 /nfs/dbraw/zinc/40/90/41/357409041.db2.gz IGWHXCGUXWKRPH-UHFFFAOYSA-N 2 0 284.404 -0.880 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC000638069931 357409584 /nfs/dbraw/zinc/40/95/84/357409584.db2.gz NQAPPOGIBBNRBX-UKRRQHHQSA-N 2 0 299.415 -0.284 20 0 CBADRP C[NH+](C)[C@@]1(CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CCSC1 ZINC000638070087 357409933 /nfs/dbraw/zinc/40/99/33/357409933.db2.gz WVMDCBBUUCVVOP-HOSYDEDBSA-N 2 0 273.402 -0.344 20 0 CBADRP C[C@]1(C(=O)NCCC[NH+]2CCC(O)CC2)C[NH2+]CCO1 ZINC000638070970 357410189 /nfs/dbraw/zinc/41/01/89/357410189.db2.gz YZMYPVAOWCKEPS-CQSZACIVSA-N 2 0 285.388 -0.672 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000638072272 357411006 /nfs/dbraw/zinc/41/10/06/357411006.db2.gz LWIKYDFWUQBYLY-MDZLAQPJSA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000638083508 357413716 /nfs/dbraw/zinc/41/37/16/357413716.db2.gz FWNHIVBYFJMFPO-MFKMUULPSA-N 2 0 253.346 -0.282 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638242647 357442479 /nfs/dbraw/zinc/44/24/79/357442479.db2.gz GAFGKQIESZXLPP-GDNZZTSVSA-N 2 0 267.373 -0.321 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@]1(COC)CCCC[NH2+]1 ZINC000638092334 357414730 /nfs/dbraw/zinc/41/47/30/357414730.db2.gz XAGSUYIPAOGDAJ-CQSZACIVSA-N 2 0 287.404 -0.161 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000638098002 357415906 /nfs/dbraw/zinc/41/59/06/357415906.db2.gz CIZQUTZHKUIURU-CYBMUJFWSA-N 2 0 284.404 -0.881 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000638098820 357416889 /nfs/dbraw/zinc/41/68/89/357416889.db2.gz POELJUVIMPPFCA-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)C1 ZINC000638098786 357417090 /nfs/dbraw/zinc/41/70/90/357417090.db2.gz CQDRVHOZIXMFFS-SGMGOOAPSA-N 2 0 285.388 -0.410 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638101832 357417168 /nfs/dbraw/zinc/41/71/68/357417168.db2.gz RETJVVIQMZDXJQ-VXGBXAGGSA-N 2 0 253.346 -0.129 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000638103517 357418440 /nfs/dbraw/zinc/41/84/40/357418440.db2.gz PTAYZOSJFQHQGQ-QJPTWQEYSA-N 2 0 255.362 -0.219 20 0 CBADRP C[C@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)[N@H+](C)C1CC1 ZINC000638102676 357418512 /nfs/dbraw/zinc/41/85/12/357418512.db2.gz VMUWLAXECJUINP-MFKMUULPSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@]1(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[NH2+]CCO1 ZINC000638102657 357418529 /nfs/dbraw/zinc/41/85/29/357418529.db2.gz WHPNIRNFIJBBIY-GXTWGEPZSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)CC[N@@H+]1C ZINC000638116150 357420811 /nfs/dbraw/zinc/42/08/11/357420811.db2.gz XLJZPSUKHRBTSE-NTZNESFSSA-N 2 0 255.362 -0.036 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)CN1CC[NH2+]CC1 ZINC000638115600 357420994 /nfs/dbraw/zinc/42/09/94/357420994.db2.gz IUFPCXGMDVPGFH-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@@]2(C)C[NH2+]CCO2)CCOCC1 ZINC000638113159 357421043 /nfs/dbraw/zinc/42/10/43/357421043.db2.gz YIPAWWQTPYOKEZ-CYBMUJFWSA-N 2 0 285.388 -0.408 20 0 CBADRP C[C@@H]1C[C@H](N(C)C(=O)CN2CC[NH2+]CC2)CC[N@@H+]1C ZINC000638124312 357422063 /nfs/dbraw/zinc/42/20/63/357422063.db2.gz SKXFZUJCGTWOOW-CHWSQXEVSA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C[N@@H+]1C1CC1 ZINC000638132258 357422481 /nfs/dbraw/zinc/42/24/81/357422481.db2.gz FXJJJCRNRYZQBD-LLHIFLOGSA-N 2 0 253.346 -0.156 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)C[NH2+]CCO1 ZINC000638127363 357423321 /nfs/dbraw/zinc/42/33/21/357423321.db2.gz VGZDJLMPMBSFBP-HIFRSBDPSA-N 2 0 297.399 -0.454 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000638134944 357423820 /nfs/dbraw/zinc/42/38/20/357423820.db2.gz QNPMKKGYQCDZSC-VXGBXAGGSA-N 2 0 266.389 -0.367 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638137046 357423859 /nfs/dbraw/zinc/42/38/59/357423859.db2.gz FCUIHHVHAQSNEP-RWMBFGLXSA-N 2 0 284.404 -0.755 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCCCN2CC[NH+](C)CC2)C1 ZINC000638137257 357424067 /nfs/dbraw/zinc/42/40/67/357424067.db2.gz SKYPZQKZDWDHPJ-HIFRSBDPSA-N 2 0 298.431 -0.493 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638136998 357424125 /nfs/dbraw/zinc/42/41/25/357424125.db2.gz QFLURVNIHLRYCK-DZGCQCFKSA-N 2 0 298.431 -0.493 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638135920 357424402 /nfs/dbraw/zinc/42/44/02/357424402.db2.gz VSVXWQXGJRKUQN-YPMHNXCESA-N 2 0 266.389 -0.510 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638137003 357424406 /nfs/dbraw/zinc/42/44/06/357424406.db2.gz QFLURVNIHLRYCK-ZFWWWQNUSA-N 2 0 298.431 -0.493 20 0 CBADRP C[NH+](C)C1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638141096 357425524 /nfs/dbraw/zinc/42/55/24/357425524.db2.gz GRQSQEVPAVSWTQ-CYBMUJFWSA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638142123 357426005 /nfs/dbraw/zinc/42/60/05/357426005.db2.gz YKDWYHHARLJNRR-ZFWWWQNUSA-N 2 0 298.431 -0.506 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H]([NH3+])C2CC2)CCCC[NH2+]1 ZINC000638152011 357427645 /nfs/dbraw/zinc/42/76/45/357427645.db2.gz CFZSBIRHVNOEKD-DGCLKSJQSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@@H]21 ZINC000638164980 357429383 /nfs/dbraw/zinc/42/93/83/357429383.db2.gz LBSAHBXVWJRKOP-FRRDWIJNSA-N 2 0 266.389 -0.523 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000638169883 357430644 /nfs/dbraw/zinc/43/06/44/357430644.db2.gz MXUORNVDHWLAOU-AAEUAGOBSA-N 2 0 255.362 -0.083 20 0 CBADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000638172443 357431348 /nfs/dbraw/zinc/43/13/48/357431348.db2.gz OOKFDTITZBCBQA-KGLIPLIRSA-N 2 0 293.367 -0.249 20 0 CBADRP C[C@H](C[NH3+])NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638171180 357431589 /nfs/dbraw/zinc/43/15/89/357431589.db2.gz PKICJPIUYPLKQQ-DGCLKSJQSA-N 2 0 264.373 -0.091 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCC[NH2+]1 ZINC000638244684 357443400 /nfs/dbraw/zinc/44/34/00/357443400.db2.gz KFJDHBWVEUMCBP-WGBDABJCSA-N 2 0 253.346 -0.521 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638182737 357433322 /nfs/dbraw/zinc/43/33/22/357433322.db2.gz XUOCOPNKJFPATA-NQBHXWOUSA-N 2 0 255.362 -0.144 20 0 CBADRP CC[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000638202713 357433796 /nfs/dbraw/zinc/43/37/96/357433796.db2.gz JECGMLSZIKGRMU-NEPJUHHUSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@H]([NH3+])CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638210808 357434778 /nfs/dbraw/zinc/43/47/78/357434778.db2.gz KCLBCVCYNAHHMT-AAEUAGOBSA-N 2 0 264.373 -0.091 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000638213936 357434953 /nfs/dbraw/zinc/43/49/53/357434953.db2.gz SHEUDVLVNHETTK-SRRSOLGSSA-N 2 0 253.346 -0.569 20 0 CBADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638221202 357435829 /nfs/dbraw/zinc/43/58/29/357435829.db2.gz VRVADNFMKAAOHA-STQMWFEESA-N 2 0 255.362 -0.061 20 0 CBADRP C[C@]1(C(=O)N2CCC[C@@H](CC[NH3+])C2)C[NH2+]CCO1 ZINC000638218940 357436258 /nfs/dbraw/zinc/43/62/58/357436258.db2.gz UUGLRJRHBPMNBD-WCQYABFASA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000638217902 357436301 /nfs/dbraw/zinc/43/63/01/357436301.db2.gz QQDJZOWMBCNOHA-LBPRGKRZSA-N 2 0 254.378 -0.521 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000638249324 357443670 /nfs/dbraw/zinc/44/36/70/357443670.db2.gz WSUPVODOZRILEG-CZXHOFHRSA-N 2 0 267.373 -0.036 20 0 CBADRP COCC1(CNC(=O)[C@]2(C)C[NH2+]CCO2)CC[NH2+]CC1 ZINC000638225515 357436881 /nfs/dbraw/zinc/43/68/81/357436881.db2.gz ZADCGWPBVNUUAL-ZDUSSCGKSA-N 2 0 285.388 -0.503 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)CCCC[NH2+]1 ZINC000638226639 357436914 /nfs/dbraw/zinc/43/69/14/357436914.db2.gz KCEYXFZUXOYZSS-YDHLFZDLSA-N 2 0 297.399 -0.266 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1)[NH+](C)C ZINC000638227496 357437956 /nfs/dbraw/zinc/43/79/56/357437956.db2.gz APHLKLLYMFYQKJ-TUAOUCFPSA-N 2 0 255.362 -0.084 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000638228218 357438299 /nfs/dbraw/zinc/43/82/99/357438299.db2.gz DXZLZMHHAIZEQN-YDHLFZDLSA-N 2 0 296.415 -0.741 20 0 CBADRP COC[C@]1(CNC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CCC[NH2+]1 ZINC000638228590 357438410 /nfs/dbraw/zinc/43/84/10/357438410.db2.gz GRRJFSUEXRDWJC-MRVWCRGKSA-N 2 0 285.388 -0.362 20 0 CBADRP COC[C@]1(CNC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CCC[NH2+]1 ZINC000638228588 357438417 /nfs/dbraw/zinc/43/84/17/357438417.db2.gz GRRJFSUEXRDWJC-IACUBPJLSA-N 2 0 285.388 -0.362 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1)[NH+](C)C ZINC000638227497 357438598 /nfs/dbraw/zinc/43/85/98/357438598.db2.gz APHLKLLYMFYQKJ-UTUOFQBUSA-N 2 0 255.362 -0.084 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000638228651 357439138 /nfs/dbraw/zinc/43/91/38/357439138.db2.gz IQOJSIAUTBKKPW-NWDGAFQWSA-N 2 0 254.378 -0.510 20 0 CBADRP COC[C@@]1(CNC(=O)[C@]2(C)C[NH2+]CCO2)CCC[NH2+]1 ZINC000638229139 357439177 /nfs/dbraw/zinc/43/91/77/357439177.db2.gz CRFCDFCLKVENJR-STQMWFEESA-N 2 0 271.361 -0.750 20 0 CBADRP COC[C@]1(CNC(=O)[C@@]2(C)C[NH2+]CCO2)CCC[NH2+]1 ZINC000638229133 357439368 /nfs/dbraw/zinc/43/93/68/357439368.db2.gz CRFCDFCLKVENJR-CHWSQXEVSA-N 2 0 271.361 -0.750 20 0 CBADRP Cc1cc(C[NH3+])oc1C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000637864844 357379101 /nfs/dbraw/zinc/37/91/01/357379101.db2.gz YHEQILZFGGQMRF-JTQLQIEISA-N 2 0 266.345 -0.238 20 0 CBADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000637864159 357379245 /nfs/dbraw/zinc/37/92/45/357379245.db2.gz NTQKNYHRHXMLBR-VXGBXAGGSA-N 2 0 256.394 -0.149 20 0 CBADRP C[C@]1(C(=O)N2CCC(OCCC[NH3+])CC2)C[NH2+]CCO1 ZINC000637864649 357379598 /nfs/dbraw/zinc/37/95/98/357379598.db2.gz OSXQTBWKPKAQCN-CQSZACIVSA-N 2 0 285.388 -0.279 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC000637867927 357380537 /nfs/dbraw/zinc/38/05/37/357380537.db2.gz VOEWNXMNFZREOY-WDEREUQCSA-N 2 0 255.362 -0.097 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@H]([NH3+])Cc1cccc(OC)c1 ZINC000638575744 357496192 /nfs/dbraw/zinc/49/61/92/357496192.db2.gz RHJSOGOFBHYPJZ-CQSZACIVSA-N 2 0 295.383 -0.083 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638573802 357496754 /nfs/dbraw/zinc/49/67/54/357496754.db2.gz LWLKNUVTAXHOBH-GFCCVEGCSA-N 2 0 259.350 -0.906 20 0 CBADRP C[NH2+]CCOCCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000638579550 357497540 /nfs/dbraw/zinc/49/75/40/357497540.db2.gz RXHJXOJSARNFMS-JTQLQIEISA-N 2 0 281.360 -0.548 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000638591812 357499408 /nfs/dbraw/zinc/49/94/08/357499408.db2.gz MGXFBQXGIJAFOG-DGCLKSJQSA-N 2 0 255.362 -0.320 20 0 CBADRP CC[NH+]1CCN(CC(=O)N(C)CCOCC[NH2+]C)CC1 ZINC000638592785 357499639 /nfs/dbraw/zinc/49/96/39/357499639.db2.gz PYHMAHWQKGBQMT-UHFFFAOYSA-N 2 0 286.420 -0.682 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000638613314 357505172 /nfs/dbraw/zinc/50/51/72/357505172.db2.gz HVSASXXHAFDSNJ-MDZLAQPJSA-N 2 0 253.346 -0.519 20 0 CBADRP [NH3+]C1(C(=O)NC[C@H]2COCC[NH2+]2)CC2(CCC2)C1 ZINC000638612567 357505581 /nfs/dbraw/zinc/50/55/81/357505581.db2.gz QYYJIRSJNWKNST-JTQLQIEISA-N 2 0 253.346 -0.247 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000638614854 357506540 /nfs/dbraw/zinc/50/65/40/357506540.db2.gz YTMSQAJYAKKCHF-IJLUTSLNSA-N 2 0 253.346 -0.378 20 0 CBADRP [NH3+]CCc1ccccc1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638614835 357506851 /nfs/dbraw/zinc/50/68/51/357506851.db2.gz YHSWCXXRTYOGRW-LBPRGKRZSA-N 2 0 263.341 -0.094 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000638615996 357508127 /nfs/dbraw/zinc/50/81/27/357508127.db2.gz HBLBJXGKJYUZNU-OLZOCXBDSA-N 2 0 293.371 -0.474 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H](CC[NH3+])C(F)F)C1 ZINC000638255852 357445139 /nfs/dbraw/zinc/44/51/39/357445139.db2.gz MWSRTGHUCXVSGQ-DKCNOQQISA-N 2 0 265.304 -0.148 20 0 CBADRP C[C@@]1(C(=O)N[C@H](CC[NH3+])C(F)F)C[NH2+]CCO1 ZINC000638260258 357445170 /nfs/dbraw/zinc/44/51/70/357445170.db2.gz XKRRAVFBJMSEGH-XCBNKYQSSA-N 2 0 251.277 -0.536 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000638263442 357445995 /nfs/dbraw/zinc/44/59/95/357445995.db2.gz BYVIXODTGDAQBK-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@]1(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C[NH2+]CCO1 ZINC000638265933 357446324 /nfs/dbraw/zinc/44/63/24/357446324.db2.gz GZOULEYBGJRHDL-CBAPKCEASA-N 2 0 269.267 -0.239 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H]2C[NH2+]CCCO2)CCCC[NH2+]1 ZINC000638263761 357446381 /nfs/dbraw/zinc/44/63/81/357446381.db2.gz CMWIZGRVWKWRCT-TZMCWYRMSA-N 2 0 285.388 -0.360 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000638269739 357446919 /nfs/dbraw/zinc/44/69/19/357446919.db2.gz UBWDRWRUQPLAJM-NOHGZBONSA-N 2 0 255.362 -0.003 20 0 CBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CN1CC[NH2+]CC1 ZINC000638277164 357449878 /nfs/dbraw/zinc/44/98/78/357449878.db2.gz RWTNBGKXSYXGSV-CQSZACIVSA-N 2 0 298.431 -0.539 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CC[NH2+]CC2)C1 ZINC000638287099 357451956 /nfs/dbraw/zinc/45/19/56/357451956.db2.gz UAVJRYWGIUMBRG-UONOGXRCSA-N 2 0 280.416 -0.166 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638292114 357452593 /nfs/dbraw/zinc/45/25/93/357452593.db2.gz URPHVUXBRJFHAV-LBPRGKRZSA-N 2 0 259.350 -0.941 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638292113 357453132 /nfs/dbraw/zinc/45/31/32/357453132.db2.gz URPHVUXBRJFHAV-GFCCVEGCSA-N 2 0 259.350 -0.941 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638291187 357453263 /nfs/dbraw/zinc/45/32/63/357453263.db2.gz NGGBLQNYTMUIMC-CYBMUJFWSA-N 2 0 273.377 -0.564 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638291188 357453516 /nfs/dbraw/zinc/45/35/16/357453516.db2.gz NGGBLQNYTMUIMC-ZDUSSCGKSA-N 2 0 273.377 -0.564 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000638326888 357458400 /nfs/dbraw/zinc/45/84/00/357458400.db2.gz ADTKBZCMZZVRCU-KBPBESRZSA-N 2 0 280.416 -0.118 20 0 CBADRP COc1cccc([C@H]([NH3+])C(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000638337398 357459003 /nfs/dbraw/zinc/45/90/03/357459003.db2.gz FXNMGMXIDDJPLS-STQMWFEESA-N 2 0 279.340 -0.200 20 0 CBADRP O=C(Cc1cccc2c1CC[NH2+]C2)NC[C@@H]1C[NH2+]CCO1 ZINC000638337778 357459380 /nfs/dbraw/zinc/45/93/80/357459380.db2.gz JWERKBPJLBMFSF-AWEZNQCLSA-N 2 0 289.379 -0.021 20 0 CBADRP CN(CC[NH3+])C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638343040 357460139 /nfs/dbraw/zinc/46/01/39/357460139.db2.gz JWZHZLLMEGXZNW-CYBMUJFWSA-N 2 0 264.373 -0.137 20 0 CBADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)CN1CC[NH2+]CC1 ZINC000638374198 357463312 /nfs/dbraw/zinc/46/33/12/357463312.db2.gz XXGVKDRUWIZXMG-OAHLLOKOSA-N 2 0 288.395 -0.024 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000638387542 357466170 /nfs/dbraw/zinc/46/61/70/357466170.db2.gz FNHFGCDJGYJQSK-JQWIXIFHSA-N 2 0 255.362 -0.001 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)C[C@H]1C[NH3+] ZINC000638390288 357466201 /nfs/dbraw/zinc/46/62/01/357466201.db2.gz JXORGPBZQKWXFH-CZXHOFHRSA-N 2 0 285.388 -0.424 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@]2(COC)CCCC[NH2+]2)C[C@H]1C[NH3+] ZINC000638392601 357466775 /nfs/dbraw/zinc/46/67/75/357466775.db2.gz ZVQNHIIBGSTVII-NFAWXSAZSA-N 2 0 299.415 -0.033 20 0 CBADRP O=C1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCN1 ZINC000638410778 357470984 /nfs/dbraw/zinc/47/09/84/357470984.db2.gz BUECORJBAFLHOH-VXGBXAGGSA-N 2 0 255.362 -0.299 20 0 CBADRP [NH3+]C[C@@]1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CCCOC1 ZINC000638423960 357472987 /nfs/dbraw/zinc/47/29/87/357472987.db2.gz CRQFZLWNCRHSNV-ZFWWWQNUSA-N 2 0 296.415 -0.752 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000638426605 357474013 /nfs/dbraw/zinc/47/40/13/357474013.db2.gz SNWJBHSGKSCUIA-KCQAQPDRSA-N 2 0 296.415 -0.741 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638425555 357474210 /nfs/dbraw/zinc/47/42/10/357474210.db2.gz NFWUJOHHOHOQEJ-DGCLKSJQSA-N 2 0 255.362 -0.035 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000638432592 357475686 /nfs/dbraw/zinc/47/56/86/357475686.db2.gz YSLMVDRMZBCNKX-BTQIBKBOSA-N 2 0 259.325 -0.349 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000638427760 357475897 /nfs/dbraw/zinc/47/58/97/357475897.db2.gz NAEKZOGGLVHUBI-CXFXUWLJSA-N 2 0 253.346 -0.378 20 0 CBADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)CN1CC[NH2+]CC1)C2 ZINC000638442315 357477476 /nfs/dbraw/zinc/47/74/76/357477476.db2.gz RQZKSKMWHQUBOV-WCQYABFASA-N 2 0 252.362 -0.769 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638480755 357483245 /nfs/dbraw/zinc/48/32/45/357483245.db2.gz YWBBJRUGBQWTAM-GFCCVEGCSA-N 2 0 297.403 -0.717 20 0 CBADRP [NH3+]C1(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCC1 ZINC000638480392 357483493 /nfs/dbraw/zinc/48/34/93/357483493.db2.gz NPTGLUBGUROGNS-UHFFFAOYSA-N 2 0 295.387 -0.963 20 0 CBADRP C[C@@H](C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[C@H](C)[NH3+] ZINC000638479842 357483561 /nfs/dbraw/zinc/48/35/61/357483561.db2.gz FOEGGQKIFMEHML-NEPJUHHUSA-N 2 0 297.403 -0.861 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)[C@H]1[NH2+]CCc2ccccc21 ZINC000638623228 357511250 /nfs/dbraw/zinc/51/12/50/357511250.db2.gz AOSIKYKRMRVYDV-JSGCOSHPSA-N 2 0 275.352 -0.022 20 0 CBADRP CCN(CC[NH3+])C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000638517394 357492952 /nfs/dbraw/zinc/49/29/52/357492952.db2.gz UNSVYBZHSYFZHR-SECBINFHSA-N 2 0 251.334 -0.093 20 0 CBADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000638540344 357493255 /nfs/dbraw/zinc/49/32/55/357493255.db2.gz ORMFPWDTEPPWJV-WDEREUQCSA-N 2 0 255.362 -0.001 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000638536658 357493595 /nfs/dbraw/zinc/49/35/95/357493595.db2.gz RRFNEXPLKSGVJO-WZRBSPASSA-N 2 0 255.362 -0.036 20 0 CBADRP [NH3+]C1(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)CCOCC1 ZINC000638540557 357493654 /nfs/dbraw/zinc/49/36/54/357493654.db2.gz PAYAJUXEGDKPFN-VIFPVBQESA-N 2 0 277.315 -0.145 20 0 CBADRP C[C@@H]1CN(C)C[C@H](C(=O)NCC2([NH3+])CCOCC2)O1 ZINC000638541531 357494393 /nfs/dbraw/zinc/49/43/93/357494393.db2.gz IRZMAJQBYSMARN-GHMZBOCLSA-N 2 0 271.361 -0.670 20 0 CBADRP CCN1CCO[C@@H](C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000638542086 357494554 /nfs/dbraw/zinc/49/45/54/357494554.db2.gz YOYAYZYQADIZIL-LLVKDONJSA-N 2 0 271.361 -0.669 20 0 CBADRP CCN1CCO[C@H](C(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000638633810 357513457 /nfs/dbraw/zinc/51/34/57/357513457.db2.gz HKVGBYQAHRVOLH-NSHDSACASA-N 2 0 271.361 -0.669 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC1(C[NH3+])CCOCC1 ZINC000638633875 357514290 /nfs/dbraw/zinc/51/42/90/357514290.db2.gz INSVYXXKFHJFIM-MNOVXSKESA-N 2 0 255.362 -0.001 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000638641976 357514563 /nfs/dbraw/zinc/51/45/63/357514563.db2.gz GWVSSBVGHKWEHA-CHWSQXEVSA-N 2 0 268.405 -0.119 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]C1 ZINC000638642369 357514666 /nfs/dbraw/zinc/51/46/66/357514666.db2.gz GGGPNVPFBPEJJM-GVXVVHGQSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)c2cn(CC[NH3+])nn2)C[NH2+]1 ZINC000638643030 357514769 /nfs/dbraw/zinc/51/47/69/357514769.db2.gz YQTXYATVLDTNSO-BDAKNGLRSA-N 2 0 252.322 -0.893 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C[NH2+]1 ZINC000638643928 357515006 /nfs/dbraw/zinc/51/50/06/357515006.db2.gz NJYPWQVHINVHIL-UTUOFQBUSA-N 2 0 292.387 -0.100 20 0 CBADRP CC[NH+]1CCN(CC(=O)NCCOCCC[NH3+])CC1 ZINC000638661682 357517133 /nfs/dbraw/zinc/51/71/33/357517133.db2.gz WLWLMJBELFFMHV-UHFFFAOYSA-N 2 0 272.393 -0.895 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000638675762 357519689 /nfs/dbraw/zinc/51/96/89/357519689.db2.gz ZXAZIMFYTMVZGY-SECBINFHSA-N 2 0 265.304 -0.335 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000638728446 357525623 /nfs/dbraw/zinc/52/56/23/357525623.db2.gz RRFNEXPLKSGVJO-LOWVWBTDSA-N 2 0 255.362 -0.036 20 0 CBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000638729534 357526488 /nfs/dbraw/zinc/52/64/88/357526488.db2.gz QNHDGSKLUCYDEQ-UHFFFAOYSA-N 2 0 297.399 -0.576 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000638767547 357527337 /nfs/dbraw/zinc/52/73/37/357527337.db2.gz GDERNNLKAWYPPY-HBNTYKKESA-N 2 0 268.361 -0.889 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000638767574 357527541 /nfs/dbraw/zinc/52/75/41/357527541.db2.gz GVWYKMVHSIUCIV-IVZWLZJFSA-N 2 0 263.345 -0.033 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000638775282 357528300 /nfs/dbraw/zinc/52/83/00/357528300.db2.gz ACMLXNYLIKZYFK-SDDRHHMPSA-N 2 0 282.388 -0.737 20 0 CBADRP CCO[C@H]1C[C@]([NH3+])(C(=O)N[C@@H]2CC[NH2+]C2)C1(C)C ZINC000638801806 357532458 /nfs/dbraw/zinc/53/24/58/357532458.db2.gz LPCZAFWPOFAKNT-NRUUGDAUSA-N 2 0 255.362 -0.003 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638814696 357532794 /nfs/dbraw/zinc/53/27/94/357532794.db2.gz AKYMSNGLEFVKLE-RYUDHWBXSA-N 2 0 256.394 -0.005 20 0 CBADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCNC(=O)C2)CC1 ZINC000638847501 357536536 /nfs/dbraw/zinc/53/65/36/357536536.db2.gz AFMVWKSTOCISHV-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP CO[C@H]1CN(C(=O)CCC2C[NH2+]C2)[C@](C)(C[NH3+])C1 ZINC000638862699 357539191 /nfs/dbraw/zinc/53/91/91/357539191.db2.gz HDUMQWHNMVAZRI-YPMHNXCESA-N 2 0 255.362 -0.049 20 0 CBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)CC(C)(C)[NH3+])CC2)C1=O ZINC000638857149 357539195 /nfs/dbraw/zinc/53/91/95/357539195.db2.gz ZQCIAGCMPKGCNG-LBPRGKRZSA-N 2 0 296.415 -0.075 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000638855708 357539240 /nfs/dbraw/zinc/53/92/40/357539240.db2.gz HZQJSKDVJJPFIC-CHWSQXEVSA-N 2 0 296.415 -0.219 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924748 357544504 /nfs/dbraw/zinc/54/45/04/357544504.db2.gz FEWQNMAXLPINOQ-UMNHJUIQSA-N 2 0 268.361 -0.951 20 0 CBADRP O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925330 357544556 /nfs/dbraw/zinc/54/45/56/357544556.db2.gz NFTXMXFDJZCCAS-UTUOFQBUSA-N 2 0 290.371 -0.394 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000638934286 357546130 /nfs/dbraw/zinc/54/61/30/357546130.db2.gz GMBRUKDSDXTGGC-CHWSQXEVSA-N 2 0 268.405 -0.038 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000638938029 357546187 /nfs/dbraw/zinc/54/61/87/357546187.db2.gz VYZRFGRBXLYLLC-IJLUTSLNSA-N 2 0 282.388 -0.655 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638941749 357546244 /nfs/dbraw/zinc/54/62/44/357546244.db2.gz VELPUTULAQUXQW-PHIMTYICSA-N 2 0 253.346 -0.282 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639020174 357552730 /nfs/dbraw/zinc/55/27/30/357552730.db2.gz DHPIFDLQDGNBMD-DYEKYZERSA-N 2 0 296.415 -0.314 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639023457 357553971 /nfs/dbraw/zinc/55/39/71/357553971.db2.gz LMKXSDKTAVSMPN-AGIUHOORSA-N 2 0 294.399 -0.545 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639023466 357554300 /nfs/dbraw/zinc/55/43/00/357554300.db2.gz LMKXSDKTAVSMPN-JHJVBQTASA-N 2 0 294.399 -0.545 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC000639043657 357555739 /nfs/dbraw/zinc/55/57/39/357555739.db2.gz YCZKRIVMQSJNHW-AVGNSLFASA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CC[C@@]2(CCN(Cc3cnc(N)nc3N)C2)C1 ZINC000639204347 357561586 /nfs/dbraw/zinc/56/15/86/357561586.db2.gz RXIZHWSFXZFKMG-CYBMUJFWSA-N 2 0 262.361 -0.171 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1C[C@@H](OC)C[C@@]1(C)CO ZINC000639999910 357626446 /nfs/dbraw/zinc/62/64/46/357626446.db2.gz BBACDSPFTKYJIR-AVGNSLFASA-N 2 0 260.378 -0.229 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCCN(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000639768860 357596880 /nfs/dbraw/zinc/59/68/80/357596880.db2.gz UVMNAYGDTMTAGC-CABCVRRESA-N 2 0 285.432 -0.170 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC[C@H]2CCNC2=O)C1 ZINC000639769282 357597627 /nfs/dbraw/zinc/59/76/27/357597627.db2.gz XHWBTFOHPXVOKT-OCCSQVGLSA-N 2 0 269.389 -0.099 20 0 CBADRP CC(C)N1CCCC[C@@H]1C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843020 357603166 /nfs/dbraw/zinc/60/31/66/357603166.db2.gz CMBICLQYUZDGPD-JHJVBQTASA-N 2 0 296.415 -0.232 20 0 CBADRP NC(=O)[C@@H]1C[NH+](CCC[NH+]2CCCCC2)C[C@H]1C(N)=O ZINC000639843389 357603453 /nfs/dbraw/zinc/60/34/53/357603453.db2.gz FGUMCFCNTRVCCT-VXGBXAGGSA-N 2 0 282.388 -0.619 20 0 CBADRP CC[C@H](C(=O)N[C@@H](CO)C[NH+]1CCCC1)[NH+](C)C ZINC000640323201 357644964 /nfs/dbraw/zinc/64/49/64/357644964.db2.gz KAWOTVOQHRGCCC-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000641475786 357710402 /nfs/dbraw/zinc/71/04/02/357710402.db2.gz QLTDXKSTSPMKMF-SNVBAGLBSA-N 2 0 258.366 -0.568 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000641224898 357682373 /nfs/dbraw/zinc/68/23/73/357682373.db2.gz YVBRZOVLABKRKX-TZMCWYRMSA-N 2 0 297.403 -0.631 20 0 CBADRP C[NH2+]C(C)(C)c1cn(C[C@H](O)C[N@H+](C)CCOC)nn1 ZINC000641224015 357682917 /nfs/dbraw/zinc/68/29/17/357682917.db2.gz RILYBQVDYGUCSO-LLVKDONJSA-N 2 0 285.392 -0.328 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000641426468 357704304 /nfs/dbraw/zinc/70/43/04/357704304.db2.gz UPCNUMNVLJOFAR-MXWKQRLJSA-N 2 0 258.366 -0.570 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H](C)[NH3+])CC1 ZINC000641423955 357704563 /nfs/dbraw/zinc/70/45/63/357704563.db2.gz FWPFITZFJXZILM-LBPRGKRZSA-N 2 0 299.419 -0.471 20 0 CBADRP CN1CCN(C(=O)CC[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000641800847 357742482 /nfs/dbraw/zinc/74/24/82/357742482.db2.gz HEINCJWLTGMRBS-RYUDHWBXSA-N 2 0 268.405 -0.134 20 0 CBADRP NS(=O)(=O)CCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000641797464 357743090 /nfs/dbraw/zinc/74/30/90/357743090.db2.gz CYQQYGDWGQDCJF-NEPJUHHUSA-N 2 0 275.418 -0.014 20 0 CBADRP CC(C)([NH3+])CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000641806772 357743919 /nfs/dbraw/zinc/74/39/19/357743919.db2.gz RQNXVXQSRYJCDJ-VIFPVBQESA-N 2 0 265.379 -0.978 20 0 CBADRP CC(C)([NH3+])CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000641806771 357744079 /nfs/dbraw/zinc/74/40/79/357744079.db2.gz RQNXVXQSRYJCDJ-SECBINFHSA-N 2 0 265.379 -0.978 20 0 CBADRP CN(C)S(=O)(=O)CCC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641802442 357744108 /nfs/dbraw/zinc/74/41/08/357744108.db2.gz KWOGFTOCIIQQOI-VHSXEESVSA-N 2 0 263.407 -0.017 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NCC[NH2+]C2CC2)CCCC1 ZINC000642080307 357749796 /nfs/dbraw/zinc/74/97/96/357749796.db2.gz LDMVBHKTXYNVQY-UHFFFAOYSA-N 2 0 296.415 -0.155 20 0 CBADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000641995224 357749803 /nfs/dbraw/zinc/74/98/03/357749803.db2.gz LJBNVHWSDHIIND-KGLIPLIRSA-N 2 0 297.447 -0.128 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642114187 357750546 /nfs/dbraw/zinc/75/05/46/357750546.db2.gz OZJATQPDQKDGAB-UWVGGRQHSA-N 2 0 258.366 -0.704 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000642298200 357752223 /nfs/dbraw/zinc/75/22/23/357752223.db2.gz NVOZIHJAIBKBEA-NSHDSACASA-N 2 0 270.377 -0.558 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000642300788 357752514 /nfs/dbraw/zinc/75/25/14/357752514.db2.gz XGVFTHSMHXXXPG-GFCCVEGCSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642329784 357753337 /nfs/dbraw/zinc/75/33/37/357753337.db2.gz SHGGZVWCAMBYCW-GRYCIOLGSA-N 2 0 284.404 -0.314 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)C1CC1 ZINC000642403975 357754338 /nfs/dbraw/zinc/75/43/38/357754338.db2.gz PXFCAMOSWPOWOA-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000642439575 357754976 /nfs/dbraw/zinc/75/49/76/357754976.db2.gz MIEKLCVSDPHPFN-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000642439666 357755212 /nfs/dbraw/zinc/75/52/12/357755212.db2.gz NCUWNCSOBUAAQO-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000642440012 357755546 /nfs/dbraw/zinc/75/55/46/357755546.db2.gz VSROLPMGRJAMHV-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000642440160 357755600 /nfs/dbraw/zinc/75/56/00/357755600.db2.gz XNZCFKMEGPPLNH-JTQLQIEISA-N 2 0 268.361 -0.935 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000642440045 357755700 /nfs/dbraw/zinc/75/57/00/357755700.db2.gz WGQAIRUNCBSQAI-QWHCGFSZSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642537981 357756105 /nfs/dbraw/zinc/75/61/05/357756105.db2.gz OPXOQNXSGSGZIO-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000642644465 357757307 /nfs/dbraw/zinc/75/73/07/357757307.db2.gz MRULRRHKUMCCRA-NEPJUHHUSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]2C[NH3+])C[N@@H+]1C1CC1 ZINC000642718190 357759108 /nfs/dbraw/zinc/75/91/08/357759108.db2.gz RJJPASJRXFXNBI-MDZLAQPJSA-N 2 0 294.399 -0.323 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642718722 357759640 /nfs/dbraw/zinc/75/96/40/357759640.db2.gz JVPGOSNJAWPHJP-MFKMUULPSA-N 2 0 294.399 -0.547 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000642718198 357759651 /nfs/dbraw/zinc/75/96/51/357759651.db2.gz RTXTUUTUGQHASU-UTUOFQBUSA-N 2 0 294.399 -0.452 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000642733286 357760091 /nfs/dbraw/zinc/76/00/91/357760091.db2.gz CJDUIBKVRISUSF-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642733513 357760314 /nfs/dbraw/zinc/76/03/14/357760314.db2.gz SUKVHXPFJKAEJU-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642733514 357760518 /nfs/dbraw/zinc/76/05/18/357760518.db2.gz SUKVHXPFJKAEJU-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000642762282 357761028 /nfs/dbraw/zinc/76/10/28/357761028.db2.gz CDYHHNQISLVDSI-ZJUUUORDSA-N 2 0 272.393 -0.458 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642755911 357761071 /nfs/dbraw/zinc/76/10/71/357761071.db2.gz ZHHNZGSIPYTWFM-VHSXEESVSA-N 2 0 258.366 -0.704 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)C1CC1 ZINC000642756037 357761351 /nfs/dbraw/zinc/76/13/51/357761351.db2.gz JPORNQDUYJIYKH-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000642785691 357762244 /nfs/dbraw/zinc/76/22/44/357762244.db2.gz DKWDNCCFRQVODG-YPMHNXCESA-N 2 0 294.399 -0.593 20 0 CBADRP [NH3+][C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000642785844 357762712 /nfs/dbraw/zinc/76/27/12/357762712.db2.gz MSNWDOWVSBVUAS-QWHCGFSZSA-N 2 0 294.399 -0.560 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000642800813 357763481 /nfs/dbraw/zinc/76/34/81/357763481.db2.gz OOKGXXVJOAVJPG-PWSUYJOCSA-N 2 0 282.388 -0.417 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NCC[NH2+]C1CC1)C1CCCC1 ZINC000642793907 357763858 /nfs/dbraw/zinc/76/38/58/357763858.db2.gz GHWCORIZEVGHDM-UHFFFAOYSA-N 2 0 296.415 -0.155 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000642897715 357764702 /nfs/dbraw/zinc/76/47/02/357764702.db2.gz GCJBYFRCIMIXIQ-NWDGAFQWSA-N 2 0 282.388 -0.547 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000642889883 357764879 /nfs/dbraw/zinc/76/48/79/357764879.db2.gz VCLXEPOZLYCEPJ-LBPRGKRZSA-N 2 0 296.415 -0.025 20 0 CBADRP O=C(NCC[NH2+]C1CC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000642887428 357764963 /nfs/dbraw/zinc/76/49/63/357764963.db2.gz XDBCMGFMPAJWAA-QWHCGFSZSA-N 2 0 294.399 -0.402 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000642894835 357764978 /nfs/dbraw/zinc/76/49/78/357764978.db2.gz LMKXBAGDOIHNGN-LBPRGKRZSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642902395 357765664 /nfs/dbraw/zinc/76/56/64/357765664.db2.gz RJRSDQCCMNBHMZ-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000642909756 357767209 /nfs/dbraw/zinc/76/72/09/357767209.db2.gz STIAIBHUFBBNIS-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000642909370 357767464 /nfs/dbraw/zinc/76/74/64/357767464.db2.gz LMZPSTXATZKJSE-WOPDTQHZSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000642910015 357768501 /nfs/dbraw/zinc/76/85/01/357768501.db2.gz YFWQHKAQRXOBDG-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000642920739 357771111 /nfs/dbraw/zinc/77/11/11/357771111.db2.gz VUWFYHXQCXPJFW-LBPRGKRZSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000642939171 357772329 /nfs/dbraw/zinc/77/23/29/357772329.db2.gz FSNHFMWPSBTQTN-RYUDHWBXSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@H](C)C[NH3+])C1 ZINC000642939169 357772452 /nfs/dbraw/zinc/77/24/52/357772452.db2.gz FSNHFMWPSBTQTN-NEPJUHHUSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000642985813 357774444 /nfs/dbraw/zinc/77/44/44/357774444.db2.gz ANOFOHPFEWGLGM-IJLUTSLNSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H]1CCCN(C(=O)C(=O)N(C)CCC[NH+](C)C)[C@@H]1C[NH3+] ZINC000643593261 357791117 /nfs/dbraw/zinc/79/11/17/357791117.db2.gz UCGJJUQLAFLICS-CHWSQXEVSA-N 2 0 298.431 -0.018 20 0 CBADRP C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2C[NH2+]CCO2)C[C@@H]1C[NH3+] ZINC000643425992 357781966 /nfs/dbraw/zinc/78/19/66/357781966.db2.gz DCPACFOCCAKWNE-WISYIIOYSA-N 2 0 255.362 -0.193 20 0 CBADRP C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000643460859 357783446 /nfs/dbraw/zinc/78/34/46/357783446.db2.gz QGLYYGQPLQWJNT-MNOVXSKESA-N 2 0 263.407 -0.002 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000643471906 357784315 /nfs/dbraw/zinc/78/43/15/357784315.db2.gz PEKYGBXBDLMMQD-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CO[C@H]1CCC[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C1 ZINC000643500509 357785430 /nfs/dbraw/zinc/78/54/30/357785430.db2.gz WPKSFLOBWXCBNO-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H](NCC(=O)N1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000643500383 357785683 /nfs/dbraw/zinc/78/56/83/357785683.db2.gz OVIIFZCJBCPBMO-VXGBXAGGSA-N 2 0 254.378 -0.462 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H]1[NH+](C)C ZINC000643520725 357786758 /nfs/dbraw/zinc/78/67/58/357786758.db2.gz GPRPATQBMCTRAH-RVMXOQNASA-N 2 0 294.399 -0.927 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H]1[NH+](C)C ZINC000643520724 357786942 /nfs/dbraw/zinc/78/69/42/357786942.db2.gz GPRPATQBMCTRAH-NDBYEHHHSA-N 2 0 294.399 -0.927 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000643553560 357788776 /nfs/dbraw/zinc/78/87/76/357788776.db2.gz HMAFMRXSHPIHNE-STQMWFEESA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000643553680 357788847 /nfs/dbraw/zinc/78/88/47/357788847.db2.gz LSFZIZLPFMBLND-STQMWFEESA-N 2 0 296.415 -0.075 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000643574500 357789035 /nfs/dbraw/zinc/78/90/35/357789035.db2.gz NOFHHTCLKFPUOS-CHWSQXEVSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000419325981 291132592 /nfs/dbraw/zinc/13/25/92/291132592.db2.gz XVGJHIPEBIIJGN-UWVGGRQHSA-N 2 0 282.388 -0.419 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000422541120 291151629 /nfs/dbraw/zinc/15/16/29/291151629.db2.gz NSLKAQIDJBLOJD-VHSXEESVSA-N 2 0 271.361 -0.229 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000341620861 216038618 /nfs/dbraw/zinc/03/86/18/216038618.db2.gz VBJLKYQQGBLHKZ-KBPBESRZSA-N 2 0 299.415 -0.208 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000341620871 216039544 /nfs/dbraw/zinc/03/95/44/216039544.db2.gz VBJLKYQQGBLHKZ-ZIAGYGMSSA-N 2 0 299.415 -0.208 20 0 CBADRP CC[N@@H+]1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)[C@@H](C)C1 ZINC000341777022 216099468 /nfs/dbraw/zinc/09/94/68/216099468.db2.gz OYZKQAWYVLHGIP-UONOGXRCSA-N 2 0 280.416 -0.071 20 0 CBADRP C[NH2+]CC(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000366349008 283500416 /nfs/dbraw/zinc/50/04/16/283500416.db2.gz UFVXZHUMBWSKAS-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000574084002 334990934 /nfs/dbraw/zinc/99/09/34/334990934.db2.gz KETMJZIVPQYRTH-VIFPVBQESA-N 2 0 259.350 -0.290 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH+]1CCC1 ZINC000341891314 216141339 /nfs/dbraw/zinc/14/13/39/216141339.db2.gz WGLFYCASFMOXOW-GFCCVEGCSA-N 2 0 255.362 -0.223 20 0 CBADRP C[C@@H](CC(N)=O)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000341954220 216164657 /nfs/dbraw/zinc/16/46/57/216164657.db2.gz AYGFRJQOAIWPHB-NSHDSACASA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000237459150 296014691 /nfs/dbraw/zinc/01/46/91/296014691.db2.gz YDUYJYODIFSLOO-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000423592508 283549432 /nfs/dbraw/zinc/54/94/32/283549432.db2.gz KVUKGFCJTCTIDD-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H]([NH3+])CN1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000515060621 296020207 /nfs/dbraw/zinc/02/02/07/296020207.db2.gz VZHTXNHXOSTHNZ-NEPJUHHUSA-N 2 0 254.378 -0.523 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000342736212 283810406 /nfs/dbraw/zinc/81/04/06/283810406.db2.gz MUQJAOTXUAIZIS-NXEZZACHSA-N 2 0 259.350 -0.277 20 0 CBADRP C[C@]1(C(N)=O)CC[NH+](CCC[N@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000361565848 291376236 /nfs/dbraw/zinc/37/62/36/291376236.db2.gz QQKXXULVEQLPSU-GJZGRUSLSA-N 2 0 296.415 -0.229 20 0 CBADRP CCC[C@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000552157456 283977544 /nfs/dbraw/zinc/97/75/44/283977544.db2.gz PXZFTBUFTBAEMT-WOPDTQHZSA-N 2 0 257.378 -0.150 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000552311111 283980700 /nfs/dbraw/zinc/98/07/00/283980700.db2.gz WFHDNIKWAKBFNQ-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC([C@H](C)[NH3+])CC2)C1 ZINC000574192180 334999433 /nfs/dbraw/zinc/99/94/33/334999433.db2.gz URYPNDLYXRLMQA-ZMLRMANQSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000574199870 335000183 /nfs/dbraw/zinc/00/01/83/335000183.db2.gz SOTZVRATBLCBAO-UTUOFQBUSA-N 2 0 282.388 -0.560 20 0 CBADRP CCC[C@]1(C)C(=O)NCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000420361632 284044706 /nfs/dbraw/zinc/04/47/06/284044706.db2.gz NNIZCYIDRXIXOX-OAHLLOKOSA-N 2 0 296.415 -0.201 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC[NH2+]C1 ZINC000574269531 335005117 /nfs/dbraw/zinc/00/51/17/335005117.db2.gz BAYTUSRSHPOTOT-LOWVWBTDSA-N 2 0 255.362 -0.192 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@H]1C[NH2+]CCCO1 ZINC000574276340 335006141 /nfs/dbraw/zinc/00/61/41/335006141.db2.gz XLYMBOBXGFRHTL-NWDGAFQWSA-N 2 0 271.361 -0.750 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)NC[C@H]1C[NH2+]CCCO1 ZINC000574276342 335006152 /nfs/dbraw/zinc/00/61/52/335006152.db2.gz XLYMBOBXGFRHTL-VXGBXAGGSA-N 2 0 271.361 -0.750 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000574324614 335010482 /nfs/dbraw/zinc/01/04/82/335010482.db2.gz VTMJZQBADGXRQC-ONGXEEELSA-N 2 0 258.366 -0.942 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000364213348 296138309 /nfs/dbraw/zinc/13/83/09/296138309.db2.gz IDQQCUMGICUNAB-IGQOVBAYSA-N 2 0 279.384 -0.083 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000188169556 296137835 /nfs/dbraw/zinc/13/78/35/296137835.db2.gz PGIGOCDTNUQYTI-UONOGXRCSA-N 2 0 297.399 -0.454 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000364213351 296138005 /nfs/dbraw/zinc/13/80/05/296138005.db2.gz IDQQCUMGICUNAB-XDQVBPFNSA-N 2 0 279.384 -0.083 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062972982 296138079 /nfs/dbraw/zinc/13/80/79/296138079.db2.gz MSLRVNJDZOLILF-NWDGAFQWSA-N 2 0 253.346 -0.329 20 0 CBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365329946 296147930 /nfs/dbraw/zinc/14/79/30/296147930.db2.gz JUKACSPMMWDUIQ-ODXJTPSBSA-N 2 0 279.384 -0.348 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000344021653 217011978 /nfs/dbraw/zinc/01/19/78/217011978.db2.gz WBHSAVXTBBXZPN-UHFFFAOYSA-N 2 0 268.405 -0.212 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000331713073 204098461 /nfs/dbraw/zinc/09/84/61/204098461.db2.gz ZHHIFGGFBDLQAJ-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CC[NH2+]1 ZINC000331885774 204261227 /nfs/dbraw/zinc/26/12/27/204261227.db2.gz OOUAHIIBJKHBCE-GFCCVEGCSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC(C)(C)[NH3+])CC1=O ZINC000237155384 189866147 /nfs/dbraw/zinc/86/61/47/189866147.db2.gz FUPPMMVLLYXQEO-JTQLQIEISA-N 2 0 270.377 -0.750 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCCC[C@@H]2C[NH3+])CC1=O ZINC000237161628 189866169 /nfs/dbraw/zinc/86/61/69/189866169.db2.gz ZNTXKIBADBWELV-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC[C@@H]2CC[N@H+](C)C2)CC1 ZINC000344044050 217024965 /nfs/dbraw/zinc/02/49/65/217024965.db2.gz RPOREIQTFIYIOZ-ZDUSSCGKSA-N 2 0 268.405 -0.308 20 0 CBADRP CNC(=O)CC[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344055899 217029210 /nfs/dbraw/zinc/02/92/10/217029210.db2.gz LDSPZBWHSCFEQJ-UHFFFAOYSA-N 2 0 258.410 -0.062 20 0 CBADRP CN(CCC[N@H+](C)[C@H]1CCNC1=O)CC[NH+](C)C ZINC000344064441 217035289 /nfs/dbraw/zinc/03/52/89/217035289.db2.gz OECDMQSXTFKOTA-LBPRGKRZSA-N 2 0 256.394 -0.310 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)C1(C[NH3+])CCOCC1 ZINC000344481483 217206223 /nfs/dbraw/zinc/20/62/23/217206223.db2.gz IFFSRYLSTVDSME-UHFFFAOYSA-N 2 0 287.404 -0.174 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[N@@H+]3CCC[C@H]3C2)O1 ZINC000094568412 372776065 /nfs/dbraw/zinc/77/60/65/372776065.db2.gz IUGLCJPUDZWLLM-TUAOUCFPSA-N 2 0 253.346 -0.201 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000353429701 220076925 /nfs/dbraw/zinc/07/69/25/220076925.db2.gz QABNMDYSXLJQHA-GFCCVEGCSA-N 2 0 271.361 -0.717 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000353430117 220078423 /nfs/dbraw/zinc/07/84/23/220078423.db2.gz RAVVKCCDTLWJKA-CYBMUJFWSA-N 2 0 287.404 -0.034 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000353428766 220078671 /nfs/dbraw/zinc/07/86/71/220078671.db2.gz SUTQDMPDUPFDGN-UONOGXRCSA-N 2 0 280.416 -0.308 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000353436391 220081226 /nfs/dbraw/zinc/08/12/26/220081226.db2.gz BEZUUWXNSPDSON-YPMHNXCESA-N 2 0 285.388 -0.328 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000157556459 372808049 /nfs/dbraw/zinc/80/80/49/372808049.db2.gz GEPKTJBGXZSCEK-MNOVXSKESA-N 2 0 268.361 -0.901 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000157556782 372809074 /nfs/dbraw/zinc/80/90/74/372809074.db2.gz GEPKTJBGXZSCEK-GHMZBOCLSA-N 2 0 268.361 -0.901 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000158342796 372811512 /nfs/dbraw/zinc/81/15/12/372811512.db2.gz AHEGLANKUIKROC-GFCCVEGCSA-N 2 0 254.378 -0.426 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000158342663 372812413 /nfs/dbraw/zinc/81/24/13/372812413.db2.gz AHEGLANKUIKROC-LBPRGKRZSA-N 2 0 254.378 -0.426 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000353460120 220095909 /nfs/dbraw/zinc/09/59/09/220095909.db2.gz NUTPNYPRBDKRLJ-ZDUSSCGKSA-N 2 0 265.357 -0.010 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000353476972 220105331 /nfs/dbraw/zinc/10/53/31/220105331.db2.gz ZUFYENWNBCBTHB-GFCCVEGCSA-N 2 0 251.330 -0.052 20 0 CBADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000263077873 372912927 /nfs/dbraw/zinc/91/29/27/372912927.db2.gz XEVDVASKHNFMRZ-TZMCWYRMSA-N 2 0 268.405 -0.085 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)CC[NH2+]C1 ZINC000333349073 205239642 /nfs/dbraw/zinc/23/96/42/205239642.db2.gz JHGPFOTZVJBLGM-MDZLAQPJSA-N 2 0 255.362 -0.131 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000353503561 220122702 /nfs/dbraw/zinc/12/27/02/220122702.db2.gz BWRFCXMFFHJYJM-RYUDHWBXSA-N 2 0 271.361 -0.859 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000353503559 220123418 /nfs/dbraw/zinc/12/34/18/220123418.db2.gz BWRFCXMFFHJYJM-NEPJUHHUSA-N 2 0 271.361 -0.859 20 0 CBADRP C[C@H](CNC(=O)N1CCOC2(C[NH2+]C2)C1)[N@H+](C)C1CC1 ZINC000333402531 205290354 /nfs/dbraw/zinc/29/03/54/205290354.db2.gz QECIDJLXDMLAHU-LLVKDONJSA-N 2 0 282.388 -0.147 20 0 CBADRP CN(CCC[NH3+])Cc1cn(C[C@H](O)C[N@H+](C)C2CC2)nn1 ZINC000328013320 372973100 /nfs/dbraw/zinc/97/31/00/372973100.db2.gz QNVKDNRSRYBIOA-CQSZACIVSA-N 2 0 296.419 -0.486 20 0 CBADRP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000333565173 373011383 /nfs/dbraw/zinc/01/13/83/373011383.db2.gz LVSUFIOFHQXKPW-MNOVXSKESA-N 2 0 255.362 -0.131 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000332549181 373006635 /nfs/dbraw/zinc/00/66/35/373006635.db2.gz IKBBWAFGCNSWNR-JHJVBQTASA-N 2 0 294.399 -0.321 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000333941573 373013185 /nfs/dbraw/zinc/01/31/85/373013185.db2.gz PCUMEPARZPKHLO-LBPRGKRZSA-N 2 0 269.393 -0.715 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)C2([NH3+])CC2)CC1 ZINC000353527896 220139153 /nfs/dbraw/zinc/13/91/53/220139153.db2.gz UOOJVVJFURMRHT-UHFFFAOYSA-N 2 0 254.378 -0.379 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333933177 373014250 /nfs/dbraw/zinc/01/42/50/373014250.db2.gz HLMQVDRPMIDCTD-KGLIPLIRSA-N 2 0 295.431 -0.230 20 0 CBADRP [NH3+][C@@H]1CCc2nc(NC(=O)[C@@H]3C[NH2+]CCO3)sc2C1 ZINC000343479304 373051231 /nfs/dbraw/zinc/05/12/31/373051231.db2.gz QQSDRRPETNAMDZ-APPZFPTMSA-N 2 0 282.369 -0.114 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000333489724 205368554 /nfs/dbraw/zinc/36/85/54/205368554.db2.gz DCGPISAXVUDIAN-AVGNSLFASA-N 2 0 284.404 -0.165 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+](C)C ZINC000340953057 373042064 /nfs/dbraw/zinc/04/20/64/373042064.db2.gz JEZZSXWJHPPRLK-OLZOCXBDSA-N 2 0 270.421 -0.065 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000353553272 220152943 /nfs/dbraw/zinc/15/29/43/220152943.db2.gz QURMMSWGPDIBEB-NWDGAFQWSA-N 2 0 272.393 -0.044 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000353438068 373113403 /nfs/dbraw/zinc/11/34/03/373113403.db2.gz YUWDBRWFLIQKQI-FRRDWIJNSA-N 2 0 287.404 -0.034 20 0 CBADRP O=C(CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC000360550577 373206691 /nfs/dbraw/zinc/20/66/91/373206691.db2.gz IPWJDADBCGZLJW-AWEZNQCLSA-N 2 0 267.373 -0.079 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000353585585 220173777 /nfs/dbraw/zinc/17/37/77/220173777.db2.gz ATVLGOJNTHFBJN-GHMZBOCLSA-N 2 0 270.377 -0.574 20 0 CBADRP CNC(=O)C[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000361175638 373265265 /nfs/dbraw/zinc/26/52/65/373265265.db2.gz QLBJJBCQLPLBCO-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP CNC(=O)C[C@@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000361208235 373269412 /nfs/dbraw/zinc/26/94/12/373269412.db2.gz HTVCVPVTDVDPBT-NEPJUHHUSA-N 2 0 256.394 -0.264 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)CC[NH3+])CC2)C1 ZINC000361711933 373327761 /nfs/dbraw/zinc/32/77/61/373327761.db2.gz XCZYVUIPHFTQEZ-LBPRGKRZSA-N 2 0 254.378 -0.426 20 0 CBADRP C[C@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCC[NH2+]C1 ZINC000353592952 220178704 /nfs/dbraw/zinc/17/87/04/220178704.db2.gz UNPSGXNZANBRER-WFASDCNBSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000362498156 373417820 /nfs/dbraw/zinc/41/78/20/373417820.db2.gz KWVHNSRQILSNJS-CHWSQXEVSA-N 2 0 296.415 -0.584 20 0 CBADRP NS(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000050248767 220194675 /nfs/dbraw/zinc/19/46/75/220194675.db2.gz AXLZZJLGWSNXKD-LLVKDONJSA-N 2 0 299.396 -0.007 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000362868556 373459140 /nfs/dbraw/zinc/45/91/40/373459140.db2.gz QFRRDAWNTQQXIM-NEPJUHHUSA-N 2 0 269.389 -0.243 20 0 CBADRP O=C(NCC[NH+]1CCCCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000362685649 373435491 /nfs/dbraw/zinc/43/54/91/373435491.db2.gz MJTKUQODXJVAPD-CQSZACIVSA-N 2 0 280.416 -0.022 20 0 CBADRP O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)[C@H]1C[NH2+]CCO1 ZINC000363743607 373507101 /nfs/dbraw/zinc/50/71/01/373507101.db2.gz OKGHVMDJEDLBJJ-MELADBBJSA-N 2 0 297.399 -0.408 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000399312151 373584983 /nfs/dbraw/zinc/58/49/83/373584983.db2.gz RJVZZQXKETXVFA-UHFFFAOYSA-N 2 0 254.378 -0.650 20 0 CBADRP CC(C)([NH3+])CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000367993817 373539287 /nfs/dbraw/zinc/53/92/87/373539287.db2.gz NBZXBKVCCFMIPS-LLVKDONJSA-N 2 0 254.378 -0.380 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CCO1 ZINC000369163659 373546000 /nfs/dbraw/zinc/54/60/00/373546000.db2.gz CXDLASWOFRDZRC-NQBHXWOUSA-N 2 0 253.346 -0.438 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000375717515 373565548 /nfs/dbraw/zinc/56/55/48/373565548.db2.gz GPIRXRMXLULKLC-RYUDHWBXSA-N 2 0 287.429 0.000 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000417091404 373624778 /nfs/dbraw/zinc/62/47/78/373624778.db2.gz JUKFETUKVLFHTB-NSHDSACASA-N 2 0 260.382 -0.057 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417085972 373625446 /nfs/dbraw/zinc/62/54/46/373625446.db2.gz BYWHJZXJQWUKOS-LBPRGKRZSA-N 2 0 272.393 -0.009 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)NC[C@H](C)C[NH3+] ZINC000417098258 373627852 /nfs/dbraw/zinc/62/78/52/373627852.db2.gz YAPZNUKUTRANID-LLVKDONJSA-N 2 0 260.382 -0.151 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000417446300 373629392 /nfs/dbraw/zinc/62/93/92/373629392.db2.gz KPJSEBWQWSZQMZ-NSHDSACASA-N 2 0 258.366 -0.384 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418443217 373631130 /nfs/dbraw/zinc/63/11/30/373631130.db2.gz NOIWXQRVVBOEOD-RYUDHWBXSA-N 2 0 271.409 -0.437 20 0 CBADRP COC[C@@]1(CNC(=O)N[C@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000418385523 373632381 /nfs/dbraw/zinc/63/23/81/373632381.db2.gz QCOSZZYNYRPLHL-AAEUAGOBSA-N 2 0 270.377 -0.194 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000418699564 373633310 /nfs/dbraw/zinc/63/33/10/373633310.db2.gz NZNDVPHXBMQZDO-NSHDSACASA-N 2 0 272.393 -0.178 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000418537394 373633416 /nfs/dbraw/zinc/63/34/16/373633416.db2.gz CUEQCGGXIRNTEE-WOPDTQHZSA-N 2 0 272.393 -0.180 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418709500 373636541 /nfs/dbraw/zinc/63/65/41/373636541.db2.gz VBOONAPVXDSFFE-MNOVXSKESA-N 2 0 260.382 -0.058 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000419419934 373639088 /nfs/dbraw/zinc/63/90/88/373639088.db2.gz JJHUZCKUYZGBAR-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000419827041 373640307 /nfs/dbraw/zinc/64/03/07/373640307.db2.gz OHMOIGNZUQYTTF-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419874527 373644449 /nfs/dbraw/zinc/64/44/49/373644449.db2.gz WBWJLTDZVFGUQS-QWHCGFSZSA-N 2 0 296.415 -0.219 20 0 CBADRP CC(C)([NH3+])CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000420082292 373648939 /nfs/dbraw/zinc/64/89/39/373648939.db2.gz UVMVNQQCCVQXBZ-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000420089187 373649981 /nfs/dbraw/zinc/64/99/81/373649981.db2.gz JLBOBSOSUFTGDS-LBPRGKRZSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2C[NH2+]CCO2)C[C@@H]1C[NH3+] ZINC000422535767 373651947 /nfs/dbraw/zinc/65/19/47/373651947.db2.gz DCPACFOCCAKWNE-WYUUTHIRSA-N 2 0 255.362 -0.193 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000423151629 373654982 /nfs/dbraw/zinc/65/49/82/373654982.db2.gz KHHJQDCYHWDBRH-CHWSQXEVSA-N 2 0 294.399 -0.367 20 0 CBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423247959 373656776 /nfs/dbraw/zinc/65/67/76/373656776.db2.gz QXQIBZDMTUUPIA-RYUDHWBXSA-N 2 0 282.388 -0.511 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000423677494 373660198 /nfs/dbraw/zinc/66/01/98/373660198.db2.gz KFGDKRCLMLUGDX-RYUDHWBXSA-N 2 0 284.404 -0.265 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000424460528 373665756 /nfs/dbraw/zinc/66/57/56/373665756.db2.gz BFWBLNLZMYYBKT-HBNTYKKESA-N 2 0 256.350 -0.456 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000431004164 373674969 /nfs/dbraw/zinc/67/49/69/373674969.db2.gz INEGPWUNWICKKJ-QWHCGFSZSA-N 2 0 284.404 -0.883 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1C[C@H](O)C[NH2+]1 ZINC000432537905 373675295 /nfs/dbraw/zinc/67/52/95/373675295.db2.gz IKENJHYZPILXDX-YFKTTZPYSA-N 2 0 253.346 -0.548 20 0 CBADRP CC(C)[C@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[C@H](C)[NH3+] ZINC000514937118 373770842 /nfs/dbraw/zinc/77/08/42/373770842.db2.gz GEMLPUSILXVMEA-AVGNSLFASA-N 2 0 298.431 -0.081 20 0 CBADRP C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)[C@H](C)[NH3+] ZINC000493766425 373728191 /nfs/dbraw/zinc/72/81/91/373728191.db2.gz JIZUTZMODSVVBV-OUAUKWLOSA-N 2 0 270.377 -0.574 20 0 CBADRP COC[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000514601890 373757265 /nfs/dbraw/zinc/75/72/65/373757265.db2.gz DNPGLQGEVHTUAN-NSHDSACASA-N 2 0 279.344 -0.597 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000514601863 373757963 /nfs/dbraw/zinc/75/79/63/373757963.db2.gz BTBHOCXANXXJNC-UTLUCORTSA-N 2 0 257.334 -0.619 20 0 CBADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]CCC(N)=O)CC1 ZINC000516176010 373804863 /nfs/dbraw/zinc/80/48/63/373804863.db2.gz XSKDOEFDZRQFEG-GFCCVEGCSA-N 2 0 256.394 -0.275 20 0 CBADRP CC1CC[NH+](CC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000516200940 373807497 /nfs/dbraw/zinc/80/74/97/373807497.db2.gz MIQBCZJVKBCQRG-STQMWFEESA-N 2 0 269.389 -0.148 20 0 CBADRP CCNC(=O)NC(=O)[C@H](C)N1CCN(c2ncc[nH]2)CC1 ZINC000516615784 373817896 /nfs/dbraw/zinc/81/78/96/373817896.db2.gz YLYCIICYROAQRK-JTQLQIEISA-N 2 0 294.359 -0.234 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000519771888 373823671 /nfs/dbraw/zinc/82/36/71/373823671.db2.gz JPVDVQBEAOVCTO-QWHCGFSZSA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH2+]CCC(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000520226383 373830149 /nfs/dbraw/zinc/83/01/49/373830149.db2.gz NPDGALKQKAUPHM-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000520232089 373830379 /nfs/dbraw/zinc/83/03/79/373830379.db2.gz RQNROKSAAMCOLK-AXFHLTTASA-N 2 0 268.361 -0.937 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000520841101 373837352 /nfs/dbraw/zinc/83/73/52/373837352.db2.gz DWBLAENATHWXES-MMWGEVLESA-N 2 0 283.376 -0.934 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000515648364 373794311 /nfs/dbraw/zinc/79/43/11/373794311.db2.gz SOPLTRCNNULVPZ-VHSXEESVSA-N 2 0 266.349 -0.503 20 0 CBADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1C(=O)NC ZINC000515666229 373795457 /nfs/dbraw/zinc/79/54/57/373795457.db2.gz QLWBRSUGXWKVGZ-WOPDTQHZSA-N 2 0 257.378 -0.197 20 0 CBADRP Cn1nncc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000524085408 373880503 /nfs/dbraw/zinc/88/05/03/373880503.db2.gz HESGIZAJWMDORL-UHFFFAOYSA-N 2 0 268.365 -0.620 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000524466077 373885695 /nfs/dbraw/zinc/88/56/95/373885695.db2.gz NXOOOGUSRZDAPK-GXTWGEPZSA-N 2 0 295.431 -0.232 20 0 CBADRP C[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)[NH+]1CC(C)C1 ZINC000521456872 373844053 /nfs/dbraw/zinc/84/40/53/373844053.db2.gz IKQQZTYUEQWSTR-CHWSQXEVSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@H]1C[N@H+](C)CCN1C[C@@H](O)C[NH+](C)CCOC ZINC000521642428 373849019 /nfs/dbraw/zinc/84/90/19/373849019.db2.gz ZIDUCFAZMMSIBL-KBPBESRZSA-N 2 0 273.421 -0.049 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000521646645 373849316 /nfs/dbraw/zinc/84/93/16/373849316.db2.gz WZZJOPWYBSIDBN-KXNHARMFSA-N 2 0 280.372 -0.855 20 0 CBADRP CN1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000521986470 373854246 /nfs/dbraw/zinc/85/42/46/373854246.db2.gz HFWGIHKHBYPKQO-TZMCWYRMSA-N 2 0 283.420 -0.340 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000522147327 373860856 /nfs/dbraw/zinc/86/08/56/373860856.db2.gz BJPFKQHXQWANQW-CHWSQXEVSA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH+]1CCN(C)CC1 ZINC000522266326 373867240 /nfs/dbraw/zinc/86/72/40/373867240.db2.gz IFDRUVDGVGODSF-ZIAGYGMSSA-N 2 0 282.432 -0.062 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000574453058 335021008 /nfs/dbraw/zinc/02/10/08/335021008.db2.gz UDRBJMRGQCYYQC-ONGXEEELSA-N 2 0 258.366 -0.815 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000529329947 374001994 /nfs/dbraw/zinc/00/19/94/374001994.db2.gz MQZSUPNPUZPMRX-LBPRGKRZSA-N 2 0 297.403 -0.942 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCCN1CC[NH2+]CC1 ZINC000529329969 374002215 /nfs/dbraw/zinc/00/22/15/374002215.db2.gz NJIQOKRQZLYPOV-AWEZNQCLSA-N 2 0 297.447 -0.079 20 0 CBADRP C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000529332548 374005138 /nfs/dbraw/zinc/00/51/38/374005138.db2.gz NHWCATPQAIZDOR-TUAOUCFPSA-N 2 0 270.377 -0.338 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2COCC[NH2+]2)CC[NH2+]1 ZINC000529339403 374006932 /nfs/dbraw/zinc/00/69/32/374006932.db2.gz PQBNRLFTUZFIQZ-OUAUKWLOSA-N 2 0 256.350 -0.586 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCO1 ZINC000529350609 374008197 /nfs/dbraw/zinc/00/81/97/374008197.db2.gz PIHMPJDBXDYDLZ-GHMZBOCLSA-N 2 0 268.361 -0.360 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@H]1CCC[NH2+]CC1 ZINC000529342589 374008411 /nfs/dbraw/zinc/00/84/11/374008411.db2.gz UXNJHCHRIZBPJF-QWRGUYRKSA-N 2 0 256.350 -0.584 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529342805 374008785 /nfs/dbraw/zinc/00/87/85/374008785.db2.gz NIUPMFAZIRWFFP-MXWKQRLJSA-N 2 0 256.350 -0.599 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000529373506 374015531 /nfs/dbraw/zinc/01/55/31/374015531.db2.gz FBBAPCJKPUYHBT-STQMWFEESA-N 2 0 282.388 -0.146 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000529376168 374016689 /nfs/dbraw/zinc/01/66/89/374016689.db2.gz BTRBWQXZYNJHHI-TUAOUCFPSA-N 2 0 268.361 -0.489 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)C[C@H]1[NH+](C)C ZINC000529376222 374017699 /nfs/dbraw/zinc/01/76/99/374017699.db2.gz QTAUJGAEFTUEPX-GRYCIOLGSA-N 2 0 270.377 -0.434 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529376358 374018108 /nfs/dbraw/zinc/01/81/08/374018108.db2.gz BZNOKDXKTZIWNV-VXGBXAGGSA-N 2 0 270.377 -0.290 20 0 CBADRP CC(C)C[NH+]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529376534 374018146 /nfs/dbraw/zinc/01/81/46/374018146.db2.gz VPTQXYLAFWTQEQ-CYBMUJFWSA-N 2 0 284.404 -0.042 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@H]3COCC[NH2+]3)[C@@H]2C1 ZINC000529377969 374019922 /nfs/dbraw/zinc/01/99/22/374019922.db2.gz RXFGXUZLWJFNMN-FRRDWIJNSA-N 2 0 282.388 -0.290 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529380331 374020148 /nfs/dbraw/zinc/02/01/48/374020148.db2.gz UVQJLOCINSHDOV-NEPJUHHUSA-N 2 0 270.377 -0.432 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529386329 374024269 /nfs/dbraw/zinc/02/42/69/374024269.db2.gz IFDSPRGATQLJGW-SRVKXCTJSA-N 2 0 270.377 -0.256 20 0 CBADRP CN(C(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000529384038 374022012 /nfs/dbraw/zinc/02/20/12/374022012.db2.gz XWGPQQGHMYZQCT-DGCLKSJQSA-N 2 0 282.388 -0.147 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000530231717 374068657 /nfs/dbraw/zinc/06/86/57/374068657.db2.gz LEYIZQQMNKJPRK-LBPRGKRZSA-N 2 0 254.378 -0.556 20 0 CBADRP C[NH+](C)CCCCC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000552548119 374268943 /nfs/dbraw/zinc/26/89/43/374268943.db2.gz HMDVLAKWTMDJKS-UHFFFAOYSA-N 2 0 298.431 -0.049 20 0 CBADRP CN1CCO[C@H](C(=O)N2CCN(C)C(C)(C)C2)C1 ZINC000555545143 374291379 /nfs/dbraw/zinc/29/13/79/374291379.db2.gz VYLJAXSRMLJKCF-NSHDSACASA-N 2 0 255.362 -0.130 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000555638686 374293275 /nfs/dbraw/zinc/29/32/75/374293275.db2.gz GOSZRPMCRGLQBB-UHFFFAOYSA-N 2 0 286.420 -0.146 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn(CCC[NH3+])nn2)[C@@H](C)C[NH2+]1 ZINC000563704917 374323293 /nfs/dbraw/zinc/32/32/93/374323293.db2.gz BEKUYXBKNHWFRS-ZJUUUORDSA-N 2 0 266.349 -0.551 20 0 CBADRP CC(C)OCC[NH+]1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000565047499 374327432 /nfs/dbraw/zinc/32/74/32/374327432.db2.gz SMPKUGJHTVPDDV-UHFFFAOYSA-N 2 0 284.448 -0.066 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000583753156 374366098 /nfs/dbraw/zinc/36/60/98/374366098.db2.gz PRWXJBOFPDNMOB-QWRGUYRKSA-N 2 0 284.404 -0.171 20 0 CBADRP COC[C@@]1(CNC(=O)N2CC[NH2+][C@H](C)C2)CCC[NH2+]1 ZINC000584400385 374371052 /nfs/dbraw/zinc/37/10/52/374371052.db2.gz DEIYDJGVWGKHOG-YPMHNXCESA-N 2 0 270.377 -0.242 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000577951779 374346338 /nfs/dbraw/zinc/34/63/38/374346338.db2.gz SPTRQYKBFVRMAS-RWMBFGLXSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn(CCC[NH3+])nn2)C[C@H](C)[NH2+]1 ZINC000644087200 374487518 /nfs/dbraw/zinc/48/75/18/374487518.db2.gz XPXUGNQFLBLPOJ-AOOOYVTPSA-N 2 0 266.349 -0.551 20 0 CBADRP CCOCCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000644512755 374588999 /nfs/dbraw/zinc/58/89/99/374588999.db2.gz LJWIHYSDJDRXFF-ZDUSSCGKSA-N 2 0 259.394 -0.389 20 0 CBADRP CC[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000644539500 374590409 /nfs/dbraw/zinc/59/04/09/374590409.db2.gz TTWXZYSGTGNPRR-VXGBXAGGSA-N 2 0 257.378 -0.066 20 0 CBADRP C[C@@H](C(=O)NCCC[N@H+](C)CCN(C)C)[NH+](C)C ZINC000644531678 374591167 /nfs/dbraw/zinc/59/11/67/374591167.db2.gz PLJPIXGZSXXHAL-LBPRGKRZSA-N 2 0 258.410 -0.064 20 0 CBADRP CC[C@H](COC)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000644571946 374596430 /nfs/dbraw/zinc/59/64/30/374596430.db2.gz MSRWBEDEUKQXRV-OLZOCXBDSA-N 2 0 259.394 -0.391 20 0 CBADRP Cn1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000644583196 374599332 /nfs/dbraw/zinc/59/93/32/374599332.db2.gz ZHOFDKNEKVWNLF-CQSZACIVSA-N 2 0 266.389 -0.277 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)C[C@H]2C[NH2+]CCO2)cn1 ZINC000645803353 374700250 /nfs/dbraw/zinc/70/02/50/374700250.db2.gz SRNPVEVMXOVMCE-LBPRGKRZSA-N 2 0 281.360 -0.238 20 0 CBADRP [NH3+]CCOCC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000645619128 374684833 /nfs/dbraw/zinc/68/48/33/374684833.db2.gz UOMJKHGFGZSMJO-UHFFFAOYSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)N[C@@H](C)C[C@H](C)[NH3+])CCO1 ZINC000646216777 374759162 /nfs/dbraw/zinc/75/91/62/374759162.db2.gz WDTCMYCULGNVMZ-UKKRHICBSA-N 2 0 258.366 -0.130 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000645891278 374711252 /nfs/dbraw/zinc/71/12/52/374711252.db2.gz NQMJKTSVAPLPNZ-OLZOCXBDSA-N 2 0 294.399 -0.449 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)nn1 ZINC000645953448 374717385 /nfs/dbraw/zinc/71/73/85/374717385.db2.gz UNLSQHXJVCWSOC-GFCCVEGCSA-N 2 0 292.387 -0.159 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953368 374717578 /nfs/dbraw/zinc/71/75/78/374717578.db2.gz RCXNFJCNHDCNME-QWHCGFSZSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH2+]CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000645977966 374720389 /nfs/dbraw/zinc/72/03/89/374720389.db2.gz OWVFOAAPYGDFAE-NSHDSACASA-N 3 0 254.378 -0.510 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CC[NH2+]3)CC2)C1 ZINC000646003128 374724983 /nfs/dbraw/zinc/72/49/83/374724983.db2.gz SVPXLQZNELRBIA-QWHCGFSZSA-N 2 0 266.389 -0.413 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C3(C)C[NH2+]C3)CC2)C1 ZINC000646003173 374725239 /nfs/dbraw/zinc/72/52/39/374725239.db2.gz VJBCJPLTQABADF-ZDUSSCGKSA-N 2 0 280.416 -0.166 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000646012465 374727126 /nfs/dbraw/zinc/72/71/26/374727126.db2.gz POWKNZJSFVNJBG-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000646061101 374737198 /nfs/dbraw/zinc/73/71/98/374737198.db2.gz BYXIGYIVXJCEQZ-UONOGXRCSA-N 2 0 298.431 -0.541 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000646070767 374739248 /nfs/dbraw/zinc/73/92/48/374739248.db2.gz XFCGFDWDLYHNRE-WOPDTQHZSA-N 2 0 255.362 -0.227 20 0 CBADRP C[NH+]1CCC2(CC1)CN(CCNS(C)(=O)=O)CCO2 ZINC000646104520 374740312 /nfs/dbraw/zinc/74/03/12/374740312.db2.gz PADFIOMNAVZHGI-UHFFFAOYSA-N 2 0 291.417 -0.668 20 0 CBADRP O=C(CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000646637761 374798797 /nfs/dbraw/zinc/79/87/97/374798797.db2.gz ADBQQKMTRXNORQ-QWHCGFSZSA-N 2 0 294.399 -0.830 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000646667624 374802029 /nfs/dbraw/zinc/80/20/29/374802029.db2.gz XLJUJGISMVLPLR-WDEREUQCSA-N 2 0 282.388 -0.702 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000646689334 374804736 /nfs/dbraw/zinc/80/47/36/374804736.db2.gz JVYDOUKWDKZWEC-NSHDSACASA-N 2 0 270.377 -0.641 20 0 CBADRP O=C(NCC[NH2+]C1CC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000646687245 374805352 /nfs/dbraw/zinc/80/53/52/374805352.db2.gz NHRFEEOQHRLNGI-SECBINFHSA-N 2 0 263.345 -0.032 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CC[NH2+]C1 ZINC000646760524 374809700 /nfs/dbraw/zinc/80/97/00/374809700.db2.gz LCGSISUABIZQHC-WZRBSPASSA-N 2 0 255.362 -0.192 20 0 CBADRP C[C@@H]1CCCN(C(=O)C[C@H]2C[NH2+]CCO2)[C@H]1C[NH3+] ZINC000646771605 374811360 /nfs/dbraw/zinc/81/13/60/374811360.db2.gz YXMFUZYGGNPMIL-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]Cc1cc(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)co1 ZINC000646803739 374816648 /nfs/dbraw/zinc/81/66/48/374816648.db2.gz KVCDYPNZVLZDOV-UHFFFAOYSA-N 2 0 291.315 -0.482 20 0 CBADRP CN1CCN(C(=O)c2ccc(C[NH3+])o2)[C@H](C[NH3+])C1 ZINC000646833181 374822563 /nfs/dbraw/zinc/82/25/63/374822563.db2.gz MYDLUCKHVFFRMR-SECBINFHSA-N 2 0 252.318 -0.547 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)CCO1 ZINC000646843640 374825522 /nfs/dbraw/zinc/82/55/22/374825522.db2.gz LCWRMFBENLPUCZ-JQWIXIFHSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000646844737 374825585 /nfs/dbraw/zinc/82/55/85/374825585.db2.gz ZRPHRWFNNAABCW-TUAOUCFPSA-N 2 0 267.373 -0.049 20 0 CBADRP COC[C@]1(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC[NH2+]C1 ZINC000646851251 374827422 /nfs/dbraw/zinc/82/74/22/374827422.db2.gz RGGBSRZWPSCQSX-GVXVVHGQSA-N 2 0 271.361 -0.813 20 0 CBADRP [NH3+]CCOCC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000646302334 374769378 /nfs/dbraw/zinc/76/93/78/374769378.db2.gz UYBRQBHNRQQWLZ-UHFFFAOYSA-N 2 0 253.302 -0.062 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000646351299 374772431 /nfs/dbraw/zinc/77/24/31/374772431.db2.gz JJQMTWXOEMLMIZ-NEPJUHHUSA-N 2 0 266.389 -0.510 20 0 CBADRP CCC[NH2+][C@@H](C)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000646351083 374772862 /nfs/dbraw/zinc/77/28/62/374772862.db2.gz CNJXHUHSQWXISZ-STQMWFEESA-N 2 0 268.405 -0.119 20 0 CBADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000646363884 374774315 /nfs/dbraw/zinc/77/43/15/374774315.db2.gz JKRCWFDIXNOKTI-VNHYZAJKSA-N 2 0 278.400 -0.508 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)CCO1 ZINC000646856512 374830308 /nfs/dbraw/zinc/83/03/08/374830308.db2.gz ISMYHTVUHQIZLS-SDDRHHMPSA-N 2 0 271.361 -0.670 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)C1CC1 ZINC000646424104 374778164 /nfs/dbraw/zinc/77/81/64/374778164.db2.gz ATOZYSFOPCZUGO-LBPRGKRZSA-N 2 0 280.376 -0.303 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000646533834 374784622 /nfs/dbraw/zinc/78/46/22/374784622.db2.gz FTKUYUBLVJSEEP-LLVKDONJSA-N 2 0 255.362 -0.225 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000646575665 374790926 /nfs/dbraw/zinc/79/09/26/374790926.db2.gz RJBHSADQFZYSAB-CYBMUJFWSA-N 2 0 268.405 -0.118 20 0 CBADRP [NH3+]CC[C@H]1CCCN(C(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000647026714 374864642 /nfs/dbraw/zinc/86/46/42/374864642.db2.gz IGDCBCGDECDXFD-VXGBXAGGSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H]([NH3+])CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000647030716 374864876 /nfs/dbraw/zinc/86/48/76/374864876.db2.gz KJVMZKNQIWEQDP-RKDXNWHRSA-N 2 0 282.310 -0.324 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CCOC1C[NH2+]C1 ZINC000647036147 374866499 /nfs/dbraw/zinc/86/64/99/374866499.db2.gz UVECJUCOPONYAB-UWVGGRQHSA-N 2 0 259.325 -0.477 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000647073841 374880030 /nfs/dbraw/zinc/88/00/30/374880030.db2.gz MITVNRUXSPDXPJ-JHJVBQTASA-N 2 0 296.415 -0.122 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000647075801 374880776 /nfs/dbraw/zinc/88/07/76/374880776.db2.gz XRATXYOJXAJLOO-JTQLQIEISA-N 2 0 277.315 -0.132 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)C(F)(F)F ZINC000647083813 374882634 /nfs/dbraw/zinc/88/26/34/374882634.db2.gz RYXKYIJXWNWTRZ-NKWVEPMBSA-N 2 0 255.240 -0.629 20 0 CBADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000646918527 374842055 /nfs/dbraw/zinc/84/20/55/374842055.db2.gz YIOFQLCOINWEDO-IHRRRGAJSA-N 2 0 278.400 -0.461 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000646978963 374856069 /nfs/dbraw/zinc/85/60/69/374856069.db2.gz ICZAXPDGUSETSR-GRYCIOLGSA-N 2 0 292.387 -0.242 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000646979521 374856423 /nfs/dbraw/zinc/85/64/23/374856423.db2.gz UBQFCRIBUDSBOB-UTUOFQBUSA-N 2 0 282.388 -0.641 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)nn1 ZINC000646996519 374857458 /nfs/dbraw/zinc/85/74/58/374857458.db2.gz CZXATBDGIVZAGQ-NXEZZACHSA-N 2 0 266.349 -0.373 20 0 CBADRP CC[C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CC[C@H]1[NH3+] ZINC000647006615 374859214 /nfs/dbraw/zinc/85/92/14/374859214.db2.gz SIIILYANGQYUQC-IJLUTSLNSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CCCC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000647017922 374859871 /nfs/dbraw/zinc/85/98/71/374859871.db2.gz JULKNMLYBYFXTA-LLVKDONJSA-N 2 0 270.377 -0.429 20 0 CBADRP CC[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000647014967 374859902 /nfs/dbraw/zinc/85/99/02/374859902.db2.gz DQGXTNGIJWLKGV-FRRDWIJNSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[C@H]1[NH3+] ZINC000647014933 374860098 /nfs/dbraw/zinc/86/00/98/374860098.db2.gz CZDNKYYNLJKWOH-IJLUTSLNSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H]([NH3+])CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000647022843 374862915 /nfs/dbraw/zinc/86/29/15/374862915.db2.gz HZZKPHINZKRLJE-AVWBDOJWSA-N 2 0 255.362 -0.018 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000574584332 335032115 /nfs/dbraw/zinc/03/21/15/335032115.db2.gz FWAXYHDULXIWTM-UTUOFQBUSA-N 2 0 297.403 -0.543 20 0 CBADRP C[C@]1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCC[NH2+]1 ZINC000574639002 335036288 /nfs/dbraw/zinc/03/62/88/335036288.db2.gz PVDCFUFPYMSRTJ-GXTWGEPZSA-N 2 0 266.389 -0.365 20 0 CBADRP C[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)N(C)C1CC1 ZINC000574632493 335035273 /nfs/dbraw/zinc/03/52/73/335035273.db2.gz XGYWUQXQSVTTRT-HIFRSBDPSA-N 2 0 284.448 -0.333 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574639016 335036257 /nfs/dbraw/zinc/03/62/57/335036257.db2.gz QIJIMVJJQRFRKV-BXUZGUMPSA-N 2 0 283.372 -0.131 20 0 CBADRP [NH3+]CC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000262662632 190060099 /nfs/dbraw/zinc/06/00/99/190060099.db2.gz ZLIJQXQHWZPYMW-UHFFFAOYSA-N 2 0 276.384 -0.121 20 0 CBADRP C[C@H]([NH3+])C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000262674781 190060479 /nfs/dbraw/zinc/06/04/79/190060479.db2.gz QXSDJMQEGXVNBZ-NSHDSACASA-N 2 0 292.383 -0.059 20 0 CBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)CC[NH3+])cc1 ZINC000262682064 190060890 /nfs/dbraw/zinc/06/08/90/190060890.db2.gz XXTKXRGWOXBSTI-UHFFFAOYSA-N 2 0 292.383 -0.057 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000356383559 248242157 /nfs/dbraw/zinc/24/21/57/248242157.db2.gz BVBXREPAGPOEAT-CKYFFXLPSA-N 2 0 270.377 -0.705 20 0 CBADRP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CC[N@H+]1C ZINC000356873183 248296490 /nfs/dbraw/zinc/29/64/90/248296490.db2.gz GHTXGUMVGPGQHQ-RDBSUJKOSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)C[C@H]2COCC[NH2+]2)C[C@@H](C)O1 ZINC000357171357 248328251 /nfs/dbraw/zinc/32/82/51/248328251.db2.gz FOEQZWDXNRQKSC-MCIONIFRSA-N 2 0 299.415 -0.020 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000357243077 248337757 /nfs/dbraw/zinc/33/77/57/248337757.db2.gz PYLFDCUVCVZTLT-NWDGAFQWSA-N 2 0 271.361 -0.798 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000357245541 248341222 /nfs/dbraw/zinc/34/12/22/248341222.db2.gz VMINZDMNXZCWQS-NWDGAFQWSA-N 2 0 255.362 -0.238 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000357312090 248352067 /nfs/dbraw/zinc/35/20/67/248352067.db2.gz VJNCFVKZKYWNJM-UZWSLXQKSA-N 2 0 255.362 -0.132 20 0 CBADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)N1CCNC(=O)C1 ZINC000358518777 248501527 /nfs/dbraw/zinc/50/15/27/248501527.db2.gz RRFITOCEMRHIFZ-UHFFFAOYSA-N 2 0 280.372 -0.980 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419736790 284626231 /nfs/dbraw/zinc/62/62/31/284626231.db2.gz SHYQNQWSDIVDEX-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419737906 284626968 /nfs/dbraw/zinc/62/69/68/284626968.db2.gz UGOZNVGDXJBFOI-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000514727911 248910198 /nfs/dbraw/zinc/91/01/98/248910198.db2.gz QLHCQOVJAIIIAR-YNEHKIRRSA-N 2 0 294.399 -0.545 20 0 CBADRP O=C(N1CC[C@@]2(CC[NH2+]C2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653129899 412884986 /nfs/dbraw/zinc/88/49/86/412884986.db2.gz NITADFCTKSYWMQ-YUTCNCBUSA-N 2 0 265.357 -0.566 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000653129909 412885298 /nfs/dbraw/zinc/88/52/98/412885298.db2.gz NONWCSYXQILUDZ-RVMXOQNASA-N 2 0 268.405 -0.149 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)C[C@@H]21 ZINC000653129721 412885501 /nfs/dbraw/zinc/88/55/01/412885501.db2.gz HFBNBZCQTRPQJF-KDBYPZKRSA-N 2 0 279.384 -0.192 20 0 CBADRP CC(C)([NH3+])CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000346855232 218038155 /nfs/dbraw/zinc/03/81/55/218038155.db2.gz ZPWYLCJAQLSUHC-UHFFFAOYSA-N 2 0 268.405 -0.036 20 0 CBADRP CCNS(=O)(=O)[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000346969038 218072493 /nfs/dbraw/zinc/07/24/93/218072493.db2.gz KBPUHPRIUKKVOI-LBPRGKRZSA-N 2 0 275.418 0.000 20 0 CBADRP COCC[N@H+](C)CCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278651443 194084423 /nfs/dbraw/zinc/08/44/23/194084423.db2.gz ALWDCQJETDCZCG-NSHDSACASA-N 2 0 295.387 -0.205 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000347376689 218212025 /nfs/dbraw/zinc/21/20/25/218212025.db2.gz URASQTQWCVQHQR-LBPRGKRZSA-N 2 0 284.404 -0.164 20 0 CBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)C[NH3+])[C@H](C)C1 ZINC000347651331 218306237 /nfs/dbraw/zinc/30/62/37/218306237.db2.gz RHLMUSCRPYUWRH-GHMZBOCLSA-N 2 0 270.377 -0.750 20 0 CBADRP C[C@H](C(=O)NC(N)=O)N1CCN(c2nccn2C)CC1 ZINC000266882497 190286931 /nfs/dbraw/zinc/28/69/31/190286931.db2.gz AMNUJNLWTDBZKZ-SECBINFHSA-N 2 0 280.332 -0.875 20 0 CBADRP C[C@H]1[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)CCC[N@@H+]1C ZINC000347767403 218348785 /nfs/dbraw/zinc/34/87/85/218348785.db2.gz UTOCKTPUKKLIFT-RYUDHWBXSA-N 2 0 284.404 -0.395 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)CCC[N@@H+]1C ZINC000347767404 218350161 /nfs/dbraw/zinc/35/01/61/218350161.db2.gz UTOCKTPUKKLIFT-VXGBXAGGSA-N 2 0 284.404 -0.395 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000423056181 284826699 /nfs/dbraw/zinc/82/66/99/284826699.db2.gz FLWXUCDKIVPLAU-NEPJUHHUSA-N 2 0 282.388 -0.511 20 0 CBADRP CC[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CC[N@@H+]1C[C@@H](C)O ZINC000168011794 207397399 /nfs/dbraw/zinc/39/73/99/207397399.db2.gz ZQDIGYUFGXQDJA-AGIUHOORSA-N 2 0 285.388 -0.722 20 0 CBADRP COCC[NH+]1CCC(NC(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000165848734 207397460 /nfs/dbraw/zinc/39/74/60/207397460.db2.gz OCWKAKJIDQUQEF-AWEZNQCLSA-N 2 0 299.415 -0.018 20 0 CBADRP COCCN1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000168028430 207398210 /nfs/dbraw/zinc/39/82/10/207398210.db2.gz BYQQQCIYBXTMNY-QWHCGFSZSA-N 2 0 285.388 -0.456 20 0 CBADRP CC1(C)CC(NC(=O)C(=O)N2CC[NH2+]CC2)CC(C)(C)[NH2+]1 ZINC000170319308 207399814 /nfs/dbraw/zinc/39/98/14/207399814.db2.gz GVQGOTZJXDYSPS-UHFFFAOYSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[NH+](CC)CCOCCNC(=O)N[C@H](C)C[NH3+] ZINC000418019123 207570330 /nfs/dbraw/zinc/57/03/30/207570330.db2.gz KEVKWCGFRLLGPU-LLVKDONJSA-N 2 0 260.382 -0.009 20 0 CBADRP C[C@@]1(CNC(=O)NCCCN2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000418290624 207574592 /nfs/dbraw/zinc/57/45/92/207574592.db2.gz SCLMOAGERUKKQT-OAHLLOKOSA-N 2 0 297.447 -0.029 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419144962 207648523 /nfs/dbraw/zinc/64/85/23/207648523.db2.gz HGMSTOBZHJNQKW-UTUOFQBUSA-N 2 0 282.388 -0.737 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000430905116 285020317 /nfs/dbraw/zinc/02/03/17/285020317.db2.gz WTRGCUGZXPEUPC-OLZOCXBDSA-N 2 0 285.388 -0.408 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C(C)C ZINC000419973944 207769000 /nfs/dbraw/zinc/76/90/00/207769000.db2.gz JSMFEBDFAVAHHJ-LBPRGKRZSA-N 2 0 286.420 -0.068 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000419846446 207743608 /nfs/dbraw/zinc/74/36/08/207743608.db2.gz PPCLKTUTAKQJJM-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCC[NH2+]C)C1 ZINC000419842487 207744479 /nfs/dbraw/zinc/74/44/79/207744479.db2.gz HWTSTHASHYRNRY-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000420176005 207801880 /nfs/dbraw/zinc/80/18/80/207801880.db2.gz WCHAFDSHJZITCL-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000420015423 207775780 /nfs/dbraw/zinc/77/57/80/207775780.db2.gz QAPCQAZUFINYDW-LLVKDONJSA-N 2 0 296.371 -0.367 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000423430429 207896745 /nfs/dbraw/zinc/89/67/45/207896745.db2.gz MKWVKPCHKSGWPW-BETUJISGSA-N 2 0 298.431 -0.005 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000423442703 207900086 /nfs/dbraw/zinc/90/00/86/207900086.db2.gz ZKRDHGYOAJLMMI-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000423744593 207935910 /nfs/dbraw/zinc/93/59/10/207935910.db2.gz OKPFIEQPZUEOQE-ZDUSSCGKSA-N 2 0 287.404 -0.208 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424149742 207962924 /nfs/dbraw/zinc/96/29/24/207962924.db2.gz CCIVCPRBHDZJOJ-MNOVXSKESA-N 2 0 280.376 -0.070 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000427270793 208058360 /nfs/dbraw/zinc/05/83/60/208058360.db2.gz XZCJLJPGXDTFKU-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000427600248 208064138 /nfs/dbraw/zinc/06/41/38/208064138.db2.gz FHVJHBIUEGCYDJ-OLZOCXBDSA-N 2 0 268.405 -0.262 20 0 CBADRP CC[C@@H]1CN(CCNC(=O)[C@@H]2CN(C)CCO2)CCO1 ZINC000428086311 208076641 /nfs/dbraw/zinc/07/66/41/208076641.db2.gz BCIIOVKLXFLWRK-OLZOCXBDSA-N 2 0 285.388 -0.456 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@H]([NH2+]C)C2)CC1 ZINC000428410534 208086996 /nfs/dbraw/zinc/08/69/96/208086996.db2.gz FNDKLMYXCCXLRN-LBPRGKRZSA-N 2 0 254.378 -0.556 20 0 CBADRP CNC(=O)CC[N@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000429676546 208127471 /nfs/dbraw/zinc/12/74/71/208127471.db2.gz REXRFNMZGNUBHH-UHFFFAOYSA-N 2 0 270.377 -0.782 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000428981221 208106114 /nfs/dbraw/zinc/10/61/14/208106114.db2.gz QCTOGZPLDXBOJO-LBPRGKRZSA-N 2 0 284.404 -0.358 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000429082718 208107429 /nfs/dbraw/zinc/10/74/29/208107429.db2.gz QPORLDSWOHVMDB-LBPRGKRZSA-N 2 0 254.378 -0.426 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000429090613 208108024 /nfs/dbraw/zinc/10/80/24/208108024.db2.gz FCHQJHAUAPTCOK-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[C@@H]1[NH3+] ZINC000429166134 208112194 /nfs/dbraw/zinc/11/21/94/208112194.db2.gz UGCZKEIEPHMTBY-UPJWGTAASA-N 2 0 296.415 -0.408 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)NCCCC[NH+]1CCOCC1 ZINC000430714028 208175434 /nfs/dbraw/zinc/17/54/34/208175434.db2.gz JKOHTAJZIONEBS-ZDUSSCGKSA-N 2 0 285.388 -0.407 20 0 CBADRP COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000430600132 208167416 /nfs/dbraw/zinc/16/74/16/208167416.db2.gz AEDGCDYMOBBQPQ-SNVBAGLBSA-N 2 0 286.376 -0.482 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000430710417 208171678 /nfs/dbraw/zinc/17/16/78/208171678.db2.gz AMZOCTDKQGEPDD-QWHCGFSZSA-N 2 0 285.388 -0.408 20 0 CBADRP C[NH+](C)[C@@]1(CNC(=O)C[C@@H]2C[NH2+]CCO2)CCSC1 ZINC000430688004 208171700 /nfs/dbraw/zinc/17/17/00/208171700.db2.gz UCEGKEZPLDGUKA-DGCLKSJQSA-N 2 0 287.429 -0.082 20 0 CBADRP C[NH+](C)CC1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000430707006 208172753 /nfs/dbraw/zinc/17/27/53/208172753.db2.gz WGDRGMHSBVTQGY-UHFFFAOYSA-N 2 0 255.362 -0.225 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000430729635 208174381 /nfs/dbraw/zinc/17/43/81/208174381.db2.gz HBETUTMURFCMCY-NWDGAFQWSA-N 2 0 271.361 -0.798 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)NCCCC[NH+]1CCOCC1 ZINC000430714027 208174557 /nfs/dbraw/zinc/17/45/57/208174557.db2.gz JKOHTAJZIONEBS-CYBMUJFWSA-N 2 0 285.388 -0.407 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000430732322 208177699 /nfs/dbraw/zinc/17/76/99/208177699.db2.gz OZMWDHSFMBIHIO-LBPRGKRZSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)C[C@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000430741858 208179865 /nfs/dbraw/zinc/17/98/65/208179865.db2.gz FFCHTZBJQULUQA-MCIONIFRSA-N 2 0 299.415 -0.020 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000430770944 208180478 /nfs/dbraw/zinc/18/04/78/208180478.db2.gz AQXCFKVDZKLUBC-ZDUSSCGKSA-N 2 0 284.404 -0.883 20 0 CBADRP CC(C)([NH3+])C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000430785535 208181450 /nfs/dbraw/zinc/18/14/50/208181450.db2.gz WQCLDEDKHSHVHR-LLVKDONJSA-N 2 0 255.362 -0.096 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000430781500 208181473 /nfs/dbraw/zinc/18/14/73/208181473.db2.gz COZJAMSRGKALDL-GFCCVEGCSA-N 2 0 283.372 -0.845 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH+](C2CCOCC2)CC1 ZINC000430775808 208182625 /nfs/dbraw/zinc/18/26/25/208182625.db2.gz MSMURIGIHASVAN-CQSZACIVSA-N 2 0 297.399 -0.312 20 0 CBADRP C[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH2+]C1 ZINC000430892995 208187013 /nfs/dbraw/zinc/18/70/13/208187013.db2.gz HKSRQXNSBPHIPA-IUODEOHRSA-N 2 0 296.415 -0.310 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CCC[NH3+])C1 ZINC000430897731 208190251 /nfs/dbraw/zinc/19/02/51/208190251.db2.gz QKHVQFPJPOGZKK-NSHDSACASA-N 2 0 270.377 -0.571 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000430903281 208190511 /nfs/dbraw/zinc/19/05/11/208190511.db2.gz HDDQHLYJSRVGSG-WDEREUQCSA-N 2 0 268.361 -0.948 20 0 CBADRP CN(C(=O)[C@@H]1C[NH2+]CCO1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000430901463 208190542 /nfs/dbraw/zinc/19/05/42/208190542.db2.gz USKLPKBIUDVLIY-NEPJUHHUSA-N 2 0 253.346 -0.330 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2CC[C@H](C[NH3+])C2)CC1 ZINC000430936670 208194270 /nfs/dbraw/zinc/19/42/70/208194270.db2.gz VRNCIUIBKACYPF-GFCCVEGCSA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH2+]CCCC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000430999188 208195801 /nfs/dbraw/zinc/19/58/01/208195801.db2.gz BGVGEIPXGAEWNS-LBPRGKRZSA-N 2 0 256.394 -0.262 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000431001121 208195981 /nfs/dbraw/zinc/19/59/81/208195981.db2.gz ICFVHGDLTOZIAW-LBPRGKRZSA-N 2 0 283.372 -0.845 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)C(C)(C)C[NH3+])CC1 ZINC000431003247 208196541 /nfs/dbraw/zinc/19/65/41/208196541.db2.gz COQXAFHJPKCWKV-UHFFFAOYSA-N 2 0 256.394 -0.275 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000431005868 208196561 /nfs/dbraw/zinc/19/65/61/208196561.db2.gz PCDGUXCGFWPAHX-UONOGXRCSA-N 2 0 297.399 -0.454 20 0 CBADRP C[NH2+]CCCC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000431016947 208198038 /nfs/dbraw/zinc/19/80/38/208198038.db2.gz LWXLEGDHASDDAU-ZDUSSCGKSA-N 2 0 270.421 -0.014 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(C)(C)C[NH3+] ZINC000431025572 208199424 /nfs/dbraw/zinc/19/94/24/208199424.db2.gz ZETPBNIGZWNLFJ-NSHDSACASA-N 2 0 256.394 -0.277 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000431023509 208199637 /nfs/dbraw/zinc/19/96/37/208199637.db2.gz RFBAQABLCRRABG-JHJVBQTASA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000431013597 208200143 /nfs/dbraw/zinc/20/01/43/208200143.db2.gz YWBKMFMZYNUOKI-FRRDWIJNSA-N 2 0 268.405 -0.134 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)CCC[NH2+]C)CC1 ZINC000431011352 208200287 /nfs/dbraw/zinc/20/02/87/208200287.db2.gz UNFGVIPCHUVEAJ-UHFFFAOYSA-N 2 0 256.394 -0.260 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000431027122 208200346 /nfs/dbraw/zinc/20/03/46/208200346.db2.gz HHDMAVJRYZQCDX-NWDGAFQWSA-N 2 0 256.394 -0.406 20 0 CBADRP C[N@H+](CCNC(=O)C[NH2+]C[C@H]1CCCO1)C1CC1 ZINC000431045555 208201124 /nfs/dbraw/zinc/20/11/24/208201124.db2.gz QEHXPAIUSGHZNL-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)CCC[NH3+])CC1 ZINC000431029624 208202396 /nfs/dbraw/zinc/20/23/96/208202396.db2.gz FVGDPXXWLUSPLY-GFCCVEGCSA-N 2 0 256.394 -0.133 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C[C@@H](C)[NH3+])CC1 ZINC000431031445 208202661 /nfs/dbraw/zinc/20/26/61/208202661.db2.gz ZPAFDVMANSWBIP-NEPJUHHUSA-N 2 0 256.394 -0.134 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C[C@H](C)[NH3+])CC1 ZINC000431031447 208203141 /nfs/dbraw/zinc/20/31/41/208203141.db2.gz ZPAFDVMANSWBIP-RYUDHWBXSA-N 2 0 256.394 -0.134 20 0 CBADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000432535445 208226867 /nfs/dbraw/zinc/22/68/67/208226867.db2.gz LAGUPQXSNQJIGA-FRRDWIJNSA-N 2 0 269.389 -0.101 20 0 CBADRP Cc1nc(NC[C@@H](C)[NH+](C)C)nc(NC[C@H](C)[NH+](C)C)n1 ZINC000433030718 208236864 /nfs/dbraw/zinc/23/68/64/208236864.db2.gz WVYNYNAXBMFEED-PHIMTYICSA-N 2 0 295.435 -0.252 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433375256 208244897 /nfs/dbraw/zinc/24/48/97/208244897.db2.gz HCZPYJGXSJVWDX-RYUDHWBXSA-N 2 0 292.387 -0.116 20 0 CBADRP CC(C)[C@H](C[NH3+])C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000433169496 208238782 /nfs/dbraw/zinc/23/87/82/208238782.db2.gz RNFWQHAZBJLRFA-OLZOCXBDSA-N 2 0 270.421 -0.031 20 0 CBADRP Cn1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c(=O)n(C)c1=O ZINC000435445180 208279448 /nfs/dbraw/zinc/27/94/48/208279448.db2.gz CVZLCZNLWYAWET-LBPRGKRZSA-N 2 0 280.372 -0.342 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[NH2+][C@H](C)[C@H]2C)CC1 ZINC000434699987 208263928 /nfs/dbraw/zinc/26/39/28/208263928.db2.gz PVIMNSNIEYJDNS-CHWSQXEVSA-N 2 0 268.405 -0.167 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)CC[C@H](C)[NH3+])CC1 ZINC000434670232 208265167 /nfs/dbraw/zinc/26/51/67/208265167.db2.gz AYJFGOMPUAIJKE-LBPRGKRZSA-N 2 0 256.394 -0.133 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000434692164 208265641 /nfs/dbraw/zinc/26/56/41/208265641.db2.gz WFVLSWIFXRJPIN-MNOVXSKESA-N 2 0 270.377 -0.430 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000434701812 208266964 /nfs/dbraw/zinc/26/69/64/208266964.db2.gz HXHDQJJXCRAGEK-QWHCGFSZSA-N 2 0 268.405 -0.119 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCN1CCOCC1 ZINC000436055473 208288047 /nfs/dbraw/zinc/28/80/47/208288047.db2.gz BKDJHSNTGXUKFP-CQSZACIVSA-N 2 0 298.431 -0.362 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)CCCO)CC1 ZINC000440966908 208348086 /nfs/dbraw/zinc/34/80/86/208348086.db2.gz VXEFIVJIDFOSHI-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)C[NH+](C)C)CC1 ZINC000442653301 208358241 /nfs/dbraw/zinc/35/82/41/208358241.db2.gz PRFUNWHAUPATMN-GFCCVEGCSA-N 2 0 256.394 -0.310 20 0 CBADRP C[C@@H]([NH3+])CN1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000442662578 208359840 /nfs/dbraw/zinc/35/98/40/208359840.db2.gz HLMWUKPYUXJQQB-VXGBXAGGSA-N 2 0 255.362 -0.096 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCC(=O)NC(N)=O ZINC000441259804 208349279 /nfs/dbraw/zinc/34/92/79/208349279.db2.gz MCEDVZAQMWCUFP-IJLUTSLNSA-N 2 0 298.387 -0.245 20 0 CBADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000443059069 208377942 /nfs/dbraw/zinc/37/79/42/208377942.db2.gz LXSVJLGKTUTRCR-CYBMUJFWSA-N 2 0 296.415 -0.214 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC000459895191 208530891 /nfs/dbraw/zinc/53/08/91/208530891.db2.gz KDDVVOGICSCOTA-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H](CO)C[NH+]2CCCCC2)C1 ZINC000574857918 335052475 /nfs/dbraw/zinc/05/24/75/335052475.db2.gz KLDZGWZOGRVEAC-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP CC[N@@H+]1CCC[C@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000348989524 285264482 /nfs/dbraw/zinc/26/44/82/285264482.db2.gz JNEIKZARZJBXMB-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000354666837 220872670 /nfs/dbraw/zinc/87/26/70/220872670.db2.gz MIBMRWSDIKHYFY-TUAOUCFPSA-N 2 0 282.388 -0.547 20 0 CBADRP CC(C)[N@H+](C)CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354714734 220899709 /nfs/dbraw/zinc/89/97/09/220899709.db2.gz OWOPSNVBKLXZCX-GFCCVEGCSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000655164638 413030201 /nfs/dbraw/zinc/03/02/01/413030201.db2.gz SNNPKVCPIOLYLS-CYBMUJFWSA-N 2 0 296.415 -0.439 20 0 CBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000423438369 285319932 /nfs/dbraw/zinc/31/99/32/285319932.db2.gz UYCJGPTUWSFYAS-CYBMUJFWSA-N 2 0 282.432 -0.014 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000575046902 335058696 /nfs/dbraw/zinc/05/86/96/335058696.db2.gz UZPAWJRIZNJECS-WDEREUQCSA-N 2 0 298.387 -0.482 20 0 CBADRP CN1CCN(C(=O)c2coc(C[NH3+])c2)[C@@H](C[NH3+])C1 ZINC000575057703 335060150 /nfs/dbraw/zinc/06/01/50/335060150.db2.gz IKESOXXCNNTCEX-JTQLQIEISA-N 2 0 252.318 -0.547 20 0 CBADRP COC[C@H](C)NC(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000361814167 285342604 /nfs/dbraw/zinc/34/26/04/285342604.db2.gz NAYOPHSKVSKEQY-SRVKXCTJSA-N 2 0 270.377 -0.002 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376060624 285383371 /nfs/dbraw/zinc/38/33/71/285383371.db2.gz AUQMMKGWYJGTFK-OCCSQVGLSA-N 2 0 298.431 -0.413 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000342719826 533450414 /nfs/dbraw/zinc/45/04/14/533450414.db2.gz XUWODMSEYFOFMZ-NSHDSACASA-N 2 0 271.361 -0.131 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000355326912 533569227 /nfs/dbraw/zinc/56/92/27/533569227.db2.gz XLIHIKYTCKIGNG-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP COC[C@]1(CNC(=O)N2CCC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000418631205 285484404 /nfs/dbraw/zinc/48/44/04/285484404.db2.gz GMYOKBSQGHTCCK-DGCLKSJQSA-N 2 0 270.377 -0.112 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000178831046 289068927 /nfs/dbraw/zinc/06/89/27/289068927.db2.gz OOVSNIFJNUFONZ-AWEZNQCLSA-N 2 0 286.395 -0.170 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333874068 296583416 /nfs/dbraw/zinc/58/34/16/296583416.db2.gz VBLMJFWNXUTTBK-HZSPNIEDSA-N 2 0 295.431 -0.327 20 0 CBADRP COCC1(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)CC[NH2+]CC1 ZINC000343649567 292213464 /nfs/dbraw/zinc/21/34/64/292213464.db2.gz HSAXSRDELMTILS-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)NC[C@@H](C)C[NH3+] ZINC000417748422 292336565 /nfs/dbraw/zinc/33/65/65/292336565.db2.gz IEUSGEBIPLQBTK-NSHDSACASA-N 2 0 260.382 -0.151 20 0 CBADRP COCCC[N@@H+]1CCCN(C(=O)C2C[NH2+]C2)CC1 ZINC000364880880 292351106 /nfs/dbraw/zinc/35/11/06/292351106.db2.gz MHJNRAIONAWVAM-UHFFFAOYSA-N 2 0 255.362 -0.223 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[NH+](C)C ZINC000367700652 286734709 /nfs/dbraw/zinc/73/47/09/286734709.db2.gz WTWCYCPSVMXNJJ-STQMWFEESA-N 2 0 268.405 -0.167 20 0 CBADRP O=C([C@H]1CCCC[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000375956885 304424422 /nfs/dbraw/zinc/42/44/22/304424422.db2.gz FPCGZUKAZXAUSP-QWHCGFSZSA-N 2 0 266.389 -0.365 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000419953627 286822967 /nfs/dbraw/zinc/82/29/67/286822967.db2.gz LECPWBXQMQXEMP-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCO2)[C@@H](C)C[NH2+]1 ZINC000418767193 296833951 /nfs/dbraw/zinc/83/39/51/296833951.db2.gz NTDJORGUAPYEFT-OUAUKWLOSA-N 2 0 256.350 -0.633 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)[NH3+])[C@@H](C)C1 ZINC000418423183 287089933 /nfs/dbraw/zinc/08/99/33/287089933.db2.gz FKHOWHZPXXWUMB-WDEREUQCSA-N 2 0 272.393 -0.180 20 0 CBADRP CC(C)[NH+](CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)C(C)C ZINC000020433892 171199367 /nfs/dbraw/zinc/19/93/67/171199367.db2.gz WNNQOUDLAWNLJA-RYUDHWBXSA-N 2 0 257.378 -0.056 20 0 CBADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188074167 287270926 /nfs/dbraw/zinc/27/09/26/287270926.db2.gz LWODGNCHOSKBIQ-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(N1CC[C@@H](C[NH+]2CCCCC2)C1)C1(O)C[NH2+]C1 ZINC000662747408 413991293 /nfs/dbraw/zinc/99/12/93/413991293.db2.gz WXAQJOOGTYOFDI-LBPRGKRZSA-N 2 0 267.373 -0.345 20 0 CBADRP CC[NH+](CC)C[C@H]1CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662747359 413991584 /nfs/dbraw/zinc/99/15/84/413991584.db2.gz UPRGKHKSLRJVDU-LLVKDONJSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662747175 413992056 /nfs/dbraw/zinc/99/20/56/413992056.db2.gz UMGFQEZKQDMJQG-IJLUTSLNSA-N 2 0 255.362 -0.192 20 0 CBADRP CN(C(=O)[C@H]1CC[NH2+]1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900988 414059113 /nfs/dbraw/zinc/05/91/13/414059113.db2.gz QZRLBFKHDNZHCV-UONOGXRCSA-N 2 0 280.416 -0.025 20 0 CBADRP O=C(NCCC[NH+]1CCCCC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037467350 173226541 /nfs/dbraw/zinc/22/65/41/173226541.db2.gz XYDKLNHCZGZPMM-RYUDHWBXSA-N 2 0 255.362 -0.299 20 0 CBADRP O=C(NCCC[NH+]1CCCCC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000037467357 173226607 /nfs/dbraw/zinc/22/66/07/173226607.db2.gz XYDKLNHCZGZPMM-VXGBXAGGSA-N 2 0 255.362 -0.299 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)C[NH+]1CCCCC1 ZINC000038042284 174045438 /nfs/dbraw/zinc/04/54/38/174045438.db2.gz GXLYNRXQEJTCHI-RWMBFGLXSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000042171269 174651457 /nfs/dbraw/zinc/65/14/57/174651457.db2.gz QACWFBDFBVSNPY-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1C[NH2+]CCO1 ZINC000043709080 175102718 /nfs/dbraw/zinc/10/27/18/175102718.db2.gz URABWZYVORWXDS-GFCCVEGCSA-N 2 0 253.346 -0.282 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000044471427 175178293 /nfs/dbraw/zinc/17/82/93/175178293.db2.gz GPDIFPLICXSCCE-LBPRGKRZSA-N 2 0 255.362 -0.036 20 0 CBADRP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000044514408 175189472 /nfs/dbraw/zinc/18/94/72/175189472.db2.gz FSUBUSXOTSKRDH-VIFPVBQESA-N 2 0 256.350 -0.109 20 0 CBADRP C[C@H]([NH3+])CC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000430772973 298951850 /nfs/dbraw/zinc/95/18/50/298951850.db2.gz PGCWFXKQHBNBOW-NSHDSACASA-N 2 0 256.394 -0.134 20 0 CBADRP C[N@H+](CCNC(=O)CN1CC[NH2+]CC1)C1CCCC1 ZINC000071378712 176143363 /nfs/dbraw/zinc/14/33/63/176143363.db2.gz XDKYNZNLSPWWRF-UHFFFAOYSA-N 2 0 268.405 -0.118 20 0 CBADRP C[C@@H]1CCCN(C(=O)C(=O)N(C)CC[NH+](C)C)[C@@H]1C[NH3+] ZINC000423743656 287321693 /nfs/dbraw/zinc/32/16/93/287321693.db2.gz VPBYEFXRBQZWJB-VXGBXAGGSA-N 2 0 284.404 -0.408 20 0 CBADRP C[C@@H]1CCCN(C(=O)C(=O)N(C)CC[NH+](C)C)[C@H]1C[NH3+] ZINC000423743652 287321741 /nfs/dbraw/zinc/32/17/41/287321741.db2.gz VPBYEFXRBQZWJB-NEPJUHHUSA-N 2 0 284.404 -0.408 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[NH+](C)C ZINC000367700636 287474104 /nfs/dbraw/zinc/47/41/04/287474104.db2.gz WTWCYCPSVMXNJJ-CHWSQXEVSA-N 2 0 268.405 -0.167 20 0 CBADRP CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000356096827 228119287 /nfs/dbraw/zinc/11/92/87/228119287.db2.gz NYSHKZRZGBSJAC-LBPRGKRZSA-N 2 0 271.409 -0.565 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCC[N@H+](C)C2)CC1=O ZINC000073433716 544422567 /nfs/dbraw/zinc/42/25/67/544422567.db2.gz ASPUNBNTOLYJJT-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000367159414 228151605 /nfs/dbraw/zinc/15/16/05/228151605.db2.gz NXAYGKMSQCYTPW-AWEZNQCLSA-N 2 0 280.416 -0.071 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000089699162 544436164 /nfs/dbraw/zinc/43/61/64/544436164.db2.gz COMNJQJMMWMFHN-UHFFFAOYSA-N 2 0 280.376 -0.161 20 0 CBADRP CC[NH+](CC)CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000089698092 544436292 /nfs/dbraw/zinc/43/62/92/544436292.db2.gz HWEDKOQTCKVYAG-UHFFFAOYSA-N 2 0 254.338 -0.692 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)c1cn(CC[NH3+])nn1 ZINC000089700548 544436486 /nfs/dbraw/zinc/43/64/86/544436486.db2.gz TTYAXVKNXPISMW-VIFPVBQESA-N 2 0 254.338 -0.693 20 0 CBADRP [NH3+]CCn1cc(C(=O)NCC[NH+]2CCCCC2)nn1 ZINC000089700558 544437071 /nfs/dbraw/zinc/43/70/71/544437071.db2.gz BFJZPKINQIBOMJ-UHFFFAOYSA-N 2 0 266.349 -0.548 20 0 CBADRP CC(C)[C@H](CNC(=O)COCC[NH3+])[NH+]1CCN(C)CC1 ZINC000093231847 544444390 /nfs/dbraw/zinc/44/43/90/544444390.db2.gz FTUDYRNYYVJFSB-ZDUSSCGKSA-N 2 0 286.420 -0.650 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000161650410 544475645 /nfs/dbraw/zinc/47/56/45/544475645.db2.gz YFZQWBLUQPCLDD-FRRDWIJNSA-N 2 0 296.415 -0.217 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000167660047 544479482 /nfs/dbraw/zinc/47/94/82/544479482.db2.gz IVGKYPYKEBIEEY-QWHCGFSZSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C)[NH3+])CC1=O ZINC000194931277 544487393 /nfs/dbraw/zinc/48/73/93/544487393.db2.gz HRVOQRLKMSYCHA-JHJVBQTASA-N 2 0 296.415 -0.217 20 0 CBADRP CNS(=O)(=O)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000221090055 544489956 /nfs/dbraw/zinc/48/99/56/544489956.db2.gz MNKSURTUMAIYQR-SNVBAGLBSA-N 2 0 263.407 -0.145 20 0 CBADRP CN(C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333729391 544545453 /nfs/dbraw/zinc/54/54/53/544545453.db2.gz HPXLAXPLSOJONC-RDBSUJKOSA-N 2 0 296.415 -0.023 20 0 CBADRP O=C(C[NH2+]C1CC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000238158817 544509222 /nfs/dbraw/zinc/50/92/22/544509222.db2.gz GWKAYJIKAREXLE-LBPRGKRZSA-N 2 0 267.373 -0.081 20 0 CBADRP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)CN1CCOCC1 ZINC000250987908 544514856 /nfs/dbraw/zinc/51/48/56/544514856.db2.gz CBQJMKPFAQIDAY-QLFBSQMISA-N 2 0 283.416 -0.104 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261759681 544516422 /nfs/dbraw/zinc/51/64/22/544516422.db2.gz JQBSVLZMZYBXCV-MDZLAQPJSA-N 2 0 284.404 -0.328 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000343007410 544553697 /nfs/dbraw/zinc/55/36/97/544553697.db2.gz GHIDZLNZXKMDGB-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC000037643513 419411051 /nfs/dbraw/zinc/41/10/51/419411051.db2.gz AMGHXVYJRUEFOQ-GFCCVEGCSA-N 2 0 254.378 -0.650 20 0 CBADRP C[NH+]1CCN(CCNC(=O)C2([NH3+])CCCC2)CC1 ZINC000037760018 419414272 /nfs/dbraw/zinc/41/42/72/419414272.db2.gz JUXDTLOKSKTAJZ-UHFFFAOYSA-N 2 0 254.378 -0.379 20 0 CBADRP C[N@@H+]1CC[C@]2(C1)CCCN(CCNS(C)(=O)=O)C2 ZINC000660659727 419416676 /nfs/dbraw/zinc/41/66/76/419416676.db2.gz QEIGCUSUDWMUKR-LBPRGKRZSA-N 2 0 275.418 -0.047 20 0 CBADRP Cc1nc(N)nc(N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)n1 ZINC000631314823 419482919 /nfs/dbraw/zinc/48/29/19/419482919.db2.gz SSGMAKQBJADWFN-BDAKNGLRSA-N 2 0 266.349 -0.346 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1C[NH2+]CCO1 ZINC000043708711 419429042 /nfs/dbraw/zinc/42/90/42/419429042.db2.gz QDOWETVYWAKBNI-SRVKXCTJSA-N 2 0 253.346 -0.282 20 0 CBADRP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+](CCO)C[C@@H]1C ZINC000660761447 419434617 /nfs/dbraw/zinc/43/46/17/419434617.db2.gz YVFVMAFWXJMDIM-KBPBESRZSA-N 2 0 273.421 -0.314 20 0 CBADRP CC(C)[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(N)=O ZINC000053298920 419458271 /nfs/dbraw/zinc/45/82/71/419458271.db2.gz QVTQGYTZVXZOKW-UHFFFAOYSA-N 2 0 256.350 -0.996 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000062972739 419459878 /nfs/dbraw/zinc/45/98/78/419459878.db2.gz BUYHHNBXYKZNKM-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP C[NH+]1CCN(CCNC(=O)CCC(C)(C)[NH3+])CC1 ZINC000070087308 419465267 /nfs/dbraw/zinc/46/52/67/419465267.db2.gz PSGXZZQAMNZECC-UHFFFAOYSA-N 2 0 256.394 -0.133 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000063123889 419465344 /nfs/dbraw/zinc/46/53/44/419465344.db2.gz DIMKAZHFTJZRQQ-GFCCVEGCSA-N 2 0 255.362 -0.225 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000638088656 419525108 /nfs/dbraw/zinc/52/51/08/419525108.db2.gz JPYHTXWHOWFQIH-BXUZGUMPSA-N 2 0 295.387 0.150 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000638088760 419526149 /nfs/dbraw/zinc/52/61/49/419526149.db2.gz JPYHTXWHOWFQIH-FZMZJTMJSA-N 2 0 295.387 0.150 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394372383 544578679 /nfs/dbraw/zinc/57/86/79/544578679.db2.gz LGKRFLLNZCAOSP-NEPJUHHUSA-N 2 0 254.378 -0.524 20 0 CBADRP C[N@H+](C[C@H](O)CN1CCC([NH+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000662150678 419549856 /nfs/dbraw/zinc/54/98/56/419549856.db2.gz ACHBBNZUTMXBBI-CVEARBPZSA-N 2 0 297.443 -0.028 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000389758296 544576712 /nfs/dbraw/zinc/57/67/12/544576712.db2.gz SAJSAWKQLXEOGF-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP CCOC[C@@H](O)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662157734 419551470 /nfs/dbraw/zinc/55/14/70/419551470.db2.gz PWLJLTVAALGQGM-KGLIPLIRSA-N 2 0 272.389 -0.085 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000389757148 544577317 /nfs/dbraw/zinc/57/73/17/544577317.db2.gz RRNGXKRQBURMGT-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662248233 419562480 /nfs/dbraw/zinc/56/24/80/419562480.db2.gz WPESHRYVEGPZBO-TUAOUCFPSA-N 2 0 255.362 -0.445 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000389757153 544577664 /nfs/dbraw/zinc/57/76/64/544577664.db2.gz RRNGXKRQBURMGT-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H](CNC(=O)c1cn(CC[NH3+])nn1)[N@H+](C)C1CC1 ZINC000219946106 419564578 /nfs/dbraw/zinc/56/45/78/419564578.db2.gz ACFPTNQAVVFHKA-VIFPVBQESA-N 2 0 266.349 -0.551 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C[C@H]1C[NH2+]CCO1 ZINC000662272208 419566059 /nfs/dbraw/zinc/56/60/59/419566059.db2.gz MDEAPXBSDGFWBV-CHWSQXEVSA-N 2 0 284.404 -0.706 20 0 CBADRP COC[C@@](C)(CCO)[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662259189 419566884 /nfs/dbraw/zinc/56/68/84/419566884.db2.gz RNJCSCNMDSJBIC-NWDGAFQWSA-N 2 0 258.362 -0.116 20 0 CBADRP CNC(=O)[C@@H](C)C[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662259335 419567003 /nfs/dbraw/zinc/56/70/03/419567003.db2.gz VDOCUWHQXKEXFG-WDEREUQCSA-N 2 0 255.362 -0.179 20 0 CBADRP C[NH+](C)CCOCCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662536689 419633152 /nfs/dbraw/zinc/63/31/52/419633152.db2.gz XUKMHHSIYSMRFU-NSHDSACASA-N 2 0 295.387 -0.205 20 0 CBADRP CC(C)([NH3+])CCC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000647727236 419638140 /nfs/dbraw/zinc/63/81/40/419638140.db2.gz USKFDPCLKQJYTN-LLVKDONJSA-N 2 0 284.404 -0.183 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CC[NH2+]C1 ZINC000394396603 544580418 /nfs/dbraw/zinc/58/04/18/544580418.db2.gz BPTBZFSFQHZWFA-ZFWWWQNUSA-N 2 0 296.415 -0.881 20 0 CBADRP OCC1(NCCOC[C@H]2CCCO2)CC[NH2+]CC1 ZINC000662285928 419573117 /nfs/dbraw/zinc/57/31/17/419573117.db2.gz ANVITGUPJFUPOF-GFCCVEGCSA-N 2 0 258.362 -0.114 20 0 CBADRP CC(C)[NH2+]CCC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394389998 544580534 /nfs/dbraw/zinc/58/05/34/544580534.db2.gz VDRROUGGBAFQEL-ZDUSSCGKSA-N 2 0 268.405 -0.119 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNc1nc(N)[nH+]c2c1CCCC2 ZINC000645197978 419573280 /nfs/dbraw/zinc/57/32/80/419573280.db2.gz FXXMHAXTHLLIBH-AWEZNQCLSA-N 2 0 279.388 0.084 20 0 CBADRP COC[C@H](CN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)OC ZINC000662282678 419573946 /nfs/dbraw/zinc/57/39/46/419573946.db2.gz JBJMJPBMXKIDMY-RWMBFGLXSA-N 2 0 268.361 -0.192 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNc1nc(N)[nH+]c2c1CCCC2 ZINC000645197980 419574918 /nfs/dbraw/zinc/57/49/18/419574918.db2.gz FXXMHAXTHLLIBH-CQSZACIVSA-N 2 0 279.388 0.084 20 0 CBADRP C[C@H]1CN(CCNC2(CO)CC[NH2+]CC2)CCO1 ZINC000662284991 419575188 /nfs/dbraw/zinc/57/51/88/419575188.db2.gz SZPLINRYDIXUHS-LBPRGKRZSA-N 2 0 257.378 -0.589 20 0 CBADRP C[N@H+](CCNC(=O)CN1CCNCC1=O)C1CCCC1 ZINC000237142398 419575423 /nfs/dbraw/zinc/57/54/23/419575423.db2.gz IXKMCPWYIDVGKN-UHFFFAOYSA-N 2 0 282.388 -0.591 20 0 CBADRP [NH3+]CCOCC(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000645990552 419580600 /nfs/dbraw/zinc/58/06/00/419580600.db2.gz QZUFOOMMZPNLKW-UHFFFAOYSA-N 2 0 261.285 0.181 20 0 CBADRP C[C@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000237454251 419580818 /nfs/dbraw/zinc/58/08/18/419580818.db2.gz ZPEWPAXGGYTTJB-HIFRSBDPSA-N 2 0 282.432 -0.014 20 0 CBADRP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1COCCO1 ZINC000662307487 419583974 /nfs/dbraw/zinc/58/39/74/419583974.db2.gz WHEJRIXLYJEADP-VXGBXAGGSA-N 2 0 256.346 -0.145 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@H]1CC12CC[NH2+]CC2 ZINC000394382414 544581951 /nfs/dbraw/zinc/58/19/51/544581951.db2.gz WFVXCQPNVSUYDC-UONOGXRCSA-N 2 0 292.427 -0.118 20 0 CBADRP C[C@@]1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CCC[NH2+]C1 ZINC000394381768 544581994 /nfs/dbraw/zinc/58/19/94/544581994.db2.gz SWLUYRFYIOUCHI-UKRRQHHQSA-N 2 0 280.416 -0.118 20 0 CBADRP COC1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CC[NH2+]CC1 ZINC000394406402 544582155 /nfs/dbraw/zinc/58/21/55/544582155.db2.gz LFDZATXDOXJUAE-ZDUSSCGKSA-N 2 0 296.415 -0.739 20 0 CBADRP CC(C)C[C@H](C[NH3+])CC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000662340420 419589876 /nfs/dbraw/zinc/58/98/76/419589876.db2.gz DNZUEUGVWMRPEJ-ZDUSSCGKSA-N 2 0 298.431 -0.112 20 0 CBADRP CC[C@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@H]1[NH3+] ZINC000647498692 419593738 /nfs/dbraw/zinc/59/37/38/419593738.db2.gz NHNURCYSRAADGS-CMPLNLGQSA-N 2 0 280.372 -0.357 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000662405127 419596028 /nfs/dbraw/zinc/59/60/28/419596028.db2.gz KQKLOAHSJUEMKM-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP CN(C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000662414991 419598344 /nfs/dbraw/zinc/59/83/44/419598344.db2.gz KJHABQGMFSXDBK-VHSXEESVSA-N 2 0 263.345 -0.080 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000662413509 419598542 /nfs/dbraw/zinc/59/85/42/419598542.db2.gz YWMFZCFFJGMROI-LBPRGKRZSA-N 2 0 272.393 -0.898 20 0 CBADRP C[C@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000662419325 419599021 /nfs/dbraw/zinc/59/90/21/419599021.db2.gz ZGRYOQLWAFINGN-VHSXEESVSA-N 2 0 263.345 -0.080 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662412710 419599722 /nfs/dbraw/zinc/59/97/22/419599722.db2.gz SRWULSWDRHRBQU-UWVGGRQHSA-N 2 0 263.345 -0.032 20 0 CBADRP CC(C)[C@H](O)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000647527142 419601571 /nfs/dbraw/zinc/60/15/71/419601571.db2.gz SNFNZVQMUIQYPY-UONOGXRCSA-N 2 0 273.421 -0.409 20 0 CBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cn(CC[NH3+])nn1 ZINC000662429584 419601749 /nfs/dbraw/zinc/60/17/49/419601749.db2.gz VUGFPSICDSVBAS-SNVBAGLBSA-N 2 0 268.365 -0.318 20 0 CBADRP CC[C@H](C)C[C@H](CO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000647524900 419603139 /nfs/dbraw/zinc/60/31/39/419603139.db2.gz KONUBGQERCQAKD-RRFJBIMHSA-N 2 0 287.448 -0.019 20 0 CBADRP CC(C)[C@@H](O)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000647527141 419604185 /nfs/dbraw/zinc/60/41/85/419604185.db2.gz SNFNZVQMUIQYPY-KGLIPLIRSA-N 2 0 273.421 -0.409 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[NH2+]C(C)C)CC1 ZINC000662444627 419604655 /nfs/dbraw/zinc/60/46/55/419604655.db2.gz IXWXNKTXXLDEBU-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP NC(=O)Cn1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nn1 ZINC000647545714 419605382 /nfs/dbraw/zinc/60/53/82/419605382.db2.gz JLSKFTZUHMYSKO-NWDGAFQWSA-N 2 0 292.387 -0.415 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000662437959 419606895 /nfs/dbraw/zinc/60/68/95/419606895.db2.gz KSSBVXFDNPJFAC-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])COC(C)C ZINC000662439744 419607992 /nfs/dbraw/zinc/60/79/92/419607992.db2.gz SNYOSQWZDGGKGS-NSHDSACASA-N 2 0 261.366 -0.567 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])COC(C)C)C1 ZINC000662453092 419609215 /nfs/dbraw/zinc/60/92/15/419609215.db2.gz SVOUKZWUNLRAQD-RYUDHWBXSA-N 2 0 273.377 -0.424 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])N1CC[NH+](C)CC1 ZINC000662465763 419615117 /nfs/dbraw/zinc/61/51/17/419615117.db2.gz YPSIYXIUBGRFGQ-XQQFMLRXSA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000647595160 419618916 /nfs/dbraw/zinc/61/89/16/419618916.db2.gz QXFWTSHKBWNOKP-DMDPSCGWSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000647595062 419620691 /nfs/dbraw/zinc/62/06/91/419620691.db2.gz LMNMSXAWJUUUCC-QJPTWQEYSA-N 2 0 296.415 -0.005 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@H]1C[NH2+]CCC1(F)F ZINC000647605678 419622379 /nfs/dbraw/zinc/62/23/79/419622379.db2.gz KMCFVCFEBSZNQI-LLVKDONJSA-N 2 0 290.358 -0.357 20 0 CBADRP Cc1cnn(CC[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000312336855 419622943 /nfs/dbraw/zinc/62/29/43/419622943.db2.gz KDAHSZYWBVWYNY-CYBMUJFWSA-N 2 0 279.388 -0.022 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCCN2CC[NH2+]CC2)CC[N@@H+]1C ZINC000647605686 419623505 /nfs/dbraw/zinc/62/35/05/419623505.db2.gz LJXRXMIHHHHSEV-CHWSQXEVSA-N 2 0 268.405 -0.262 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000662516794 419629829 /nfs/dbraw/zinc/62/98/29/419629829.db2.gz GNXSCPXTEYSUKP-VXGBXAGGSA-N 2 0 254.378 -0.510 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000662521903 419630056 /nfs/dbraw/zinc/63/00/56/419630056.db2.gz USJWMUOUEGMAGU-WOPDTQHZSA-N 2 0 255.362 -0.051 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000662516314 419630341 /nfs/dbraw/zinc/63/03/41/419630341.db2.gz DYJVBBQXSCSBAW-NWDGAFQWSA-N 2 0 254.378 -0.510 20 0 CBADRP CC(C)[NH2+]CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000662519783 419631175 /nfs/dbraw/zinc/63/11/75/419631175.db2.gz ZPYMWRUDKAYVJO-LBPRGKRZSA-N 2 0 254.378 -0.510 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000662629932 419660880 /nfs/dbraw/zinc/66/08/80/419660880.db2.gz BJMQZRPTXJTJCL-DZGCQCFKSA-N 2 0 282.432 -0.014 20 0 CBADRP C[C@@H](CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000662635402 419662206 /nfs/dbraw/zinc/66/22/06/419662206.db2.gz VBRVMZQSTMIWSY-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647828430 419664622 /nfs/dbraw/zinc/66/46/22/419664622.db2.gz CZDSGDZPPPCJTF-NWDGAFQWSA-N 3 0 254.378 -0.617 20 0 CBADRP Nc1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)ccn1 ZINC000647828788 419664722 /nfs/dbraw/zinc/66/47/22/419664722.db2.gz FQPWTXYYXSTCMB-GFCCVEGCSA-N 2 0 277.372 -0.049 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000647828570 419666158 /nfs/dbraw/zinc/66/61/58/419666158.db2.gz MVTHAJUBIFQYBU-KBPBESRZSA-N 2 0 299.415 -0.031 20 0 CBADRP CN(C)S(=O)(=O)CCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835634 419666270 /nfs/dbraw/zinc/66/62/70/419666270.db2.gz GKZLFTRGUOHESE-UHFFFAOYSA-N 2 0 292.449 -0.895 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000647836247 419666990 /nfs/dbraw/zinc/66/69/90/419666990.db2.gz VMGBXAQJALMRMR-GASCZTMLSA-N 2 0 282.432 -0.313 20 0 CBADRP C[N@H+](CCC[NH3+])CCCN1C(=O)NC(C)(C)C1=O ZINC000647848631 419667616 /nfs/dbraw/zinc/66/76/16/419667616.db2.gz ZZFGTIJHHMQMAG-UHFFFAOYSA-N 2 0 256.350 -0.013 20 0 CBADRP CC1(C)C[NH2+]CCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000647841473 419667839 /nfs/dbraw/zinc/66/78/39/419667839.db2.gz WIAPIZXOQVMMRE-SNVBAGLBSA-N 2 0 268.361 -0.935 20 0 CBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000662668077 419673035 /nfs/dbraw/zinc/67/30/35/419673035.db2.gz ADPBBLWYRWXAQV-VXGBXAGGSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CCO1 ZINC000647876975 419678598 /nfs/dbraw/zinc/67/85/98/419678598.db2.gz FNRRZJPQSFVYRF-AEJSXWLSSA-N 2 0 277.315 -0.194 20 0 CBADRP CN1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)[C@@H](C[NH3+])C1 ZINC000647874210 419679238 /nfs/dbraw/zinc/67/92/38/419679238.db2.gz IMHAKJVDTTXVLD-VHSXEESVSA-N 3 0 276.331 -0.668 20 0 CBADRP CS(=O)(=O)N1CCCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647874747 419679521 /nfs/dbraw/zinc/67/95/21/419679521.db2.gz UBZKCTWIMJFHOF-LLVKDONJSA-N 2 0 261.391 -0.437 20 0 CBADRP CC[NH+](CC)CC1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662683673 419680641 /nfs/dbraw/zinc/68/06/41/419680641.db2.gz PJFOSDSMJSOVIU-UHFFFAOYSA-N 2 0 269.389 -0.099 20 0 CBADRP COC[C@]1(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CCC[NH2+]1 ZINC000647876915 419680861 /nfs/dbraw/zinc/68/08/61/419680861.db2.gz CIZPWDOOPIHWOD-WZRBSPASSA-N 2 0 271.361 -0.670 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2c[nH+]ccc2N)CCO1 ZINC000647876937 419681361 /nfs/dbraw/zinc/68/13/61/419681361.db2.gz DLRYYKUWGIMFMA-KCJUWKMLSA-N 2 0 250.302 -0.318 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)[C@H]2CCO[C@H]2C[NH3+])CCSC1 ZINC000662681140 419681969 /nfs/dbraw/zinc/68/19/69/419681969.db2.gz BBXJDRMWCQANMV-GVXVVHGQSA-N 2 0 287.429 -0.096 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662681520 419681981 /nfs/dbraw/zinc/68/19/81/419681981.db2.gz HDDAFRDTLRGKFS-CVZZAPKMSA-N 2 0 280.372 -0.806 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662685877 419682418 /nfs/dbraw/zinc/68/24/18/419682418.db2.gz ZYHVHEBTHDMUHS-NEPJUHHUSA-N 2 0 273.377 -0.565 20 0 CBADRP C[C@@H](CNC(=O)C1(O)C[NH2+]C1)[N@@H+]1CCCC[C@@H]1C ZINC000662680380 419682703 /nfs/dbraw/zinc/68/27/03/419682703.db2.gz SURSVNILMKHMGU-QWRGUYRKSA-N 2 0 255.362 -0.300 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662771661 419715029 /nfs/dbraw/zinc/71/50/29/419715029.db2.gz IJIXTRBLQLEEGP-KXNHARMFSA-N 2 0 253.346 -0.439 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])C1CC1 ZINC000662688546 419686218 /nfs/dbraw/zinc/68/62/18/419686218.db2.gz PXTVAVAOUSHDRU-IJLUTSLNSA-N 2 0 255.362 -0.193 20 0 CBADRP COC[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000647891532 419686564 /nfs/dbraw/zinc/68/65/64/419686564.db2.gz MUEOYUUKQCFVJO-LBPRGKRZSA-N 2 0 255.362 -0.081 20 0 CBADRP CCn1nc2c(cc1=O)C[N@@H+](CCOCC[NH3+])CC2 ZINC000647891470 419687528 /nfs/dbraw/zinc/68/75/28/419687528.db2.gz IEVIRSDNHGTRLH-UHFFFAOYSA-N 2 0 266.345 -0.403 20 0 CBADRP O=C(CC[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC000647891529 419688233 /nfs/dbraw/zinc/68/82/33/419688233.db2.gz MIAZKCOJKWLESF-UONOGXRCSA-N 2 0 297.399 -0.312 20 0 CBADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1(O)C[NH2+]C1 ZINC000662695833 419688736 /nfs/dbraw/zinc/68/87/36/419688736.db2.gz PZMPPIVATIYIMA-UTUOFQBUSA-N 2 0 269.389 -0.197 20 0 CBADRP C[C@H](CNC(=O)C1(O)C[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000662698446 419689649 /nfs/dbraw/zinc/68/96/49/419689649.db2.gz MQZFDLQEYRSCGY-GFCCVEGCSA-N 2 0 289.379 -0.116 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])cn1 ZINC000662701215 419690875 /nfs/dbraw/zinc/69/08/75/419690875.db2.gz MVJLTDNMZAIGEH-VXGBXAGGSA-N 2 0 281.360 -0.253 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647941201 419691246 /nfs/dbraw/zinc/69/12/46/419691246.db2.gz DOYXXYDKLATVII-STQMWFEESA-N 3 0 268.405 -0.085 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662699536 419691545 /nfs/dbraw/zinc/69/15/45/419691545.db2.gz BYSBLLRIVGLEAQ-LLVKDONJSA-N 2 0 255.362 -0.443 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662702997 419692304 /nfs/dbraw/zinc/69/23/04/419692304.db2.gz GCLZKQZCAAEKSI-MNOVXSKESA-N 2 0 259.350 -0.955 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000662702845 419693731 /nfs/dbraw/zinc/69/37/31/419693731.db2.gz NWBUVHYNCNTJQP-USWWRNFRSA-N 2 0 253.346 -0.297 20 0 CBADRP CC[C@H]1C[N@H+](CCCS(=O)(=O)NC)CC[C@H]1[NH3+] ZINC000647936311 419694008 /nfs/dbraw/zinc/69/40/08/419694008.db2.gz BEWRMBSUOLEIOA-WDEREUQCSA-N 2 0 263.407 -0.015 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000417283723 544591032 /nfs/dbraw/zinc/59/10/32/544591032.db2.gz DAWUMTLVWBFMLU-STQMWFEESA-N 2 0 285.436 -0.081 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](N)CC[NH+](C)C)C1 ZINC000662704233 419694687 /nfs/dbraw/zinc/69/46/87/419694687.db2.gz XAQUPDSBKHADQU-VXGBXAGGSA-N 2 0 256.394 -0.134 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000662703600 419695203 /nfs/dbraw/zinc/69/52/03/419695203.db2.gz MLJABGLQGOVIAW-SCRDCRAPSA-N 2 0 267.373 -0.177 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](N)CC[NH+](C)C)C1 ZINC000662704231 419695288 /nfs/dbraw/zinc/69/52/88/419695288.db2.gz XAQUPDSBKHADQU-NWDGAFQWSA-N 2 0 256.394 -0.134 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000662703901 419695574 /nfs/dbraw/zinc/69/55/74/419695574.db2.gz QBQLLIAMBCNDCG-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662713219 419697545 /nfs/dbraw/zinc/69/75/45/419697545.db2.gz VVDTYPJZYHTWPB-AVGNSLFASA-N 2 0 296.415 -0.217 20 0 CBADRP [NH3+]C1(CC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000662716945 419697878 /nfs/dbraw/zinc/69/78/78/419697878.db2.gz LELPYLFDVKQFNJ-VXGBXAGGSA-N 2 0 267.373 -0.075 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000662716873 419698269 /nfs/dbraw/zinc/69/82/69/419698269.db2.gz IOCPPBHUEYQMCS-CYDGBPFRSA-N 2 0 267.373 -0.219 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1CCC(=O)N1CC[NH2+]CC1 ZINC000647958673 419698605 /nfs/dbraw/zinc/69/86/05/419698605.db2.gz VJUXEVJCHWYJMW-RYUDHWBXSA-N 2 0 272.368 -0.560 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000662717213 419699587 /nfs/dbraw/zinc/69/95/87/419699587.db2.gz LXZYNBFGADAGLL-IQLKVPPVSA-N 2 0 290.371 -0.488 20 0 CBADRP [NH3+]C1(CC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000662716942 419699768 /nfs/dbraw/zinc/69/97/68/419699768.db2.gz LELPYLFDVKQFNJ-NEPJUHHUSA-N 2 0 267.373 -0.075 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000662721164 419701030 /nfs/dbraw/zinc/70/10/30/419701030.db2.gz KNVFCPZPOLVEPU-SRVKXCTJSA-N 2 0 271.361 -0.813 20 0 CBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662726806 419701064 /nfs/dbraw/zinc/70/10/64/419701064.db2.gz MKOGLTGEZZSHDJ-HAQNSBGRSA-N 2 0 296.415 -0.217 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)NCC12CC(C1)C[NH2+]2 ZINC000662726022 419703090 /nfs/dbraw/zinc/70/30/90/419703090.db2.gz YJZFTJVDFPKFFL-QWKFWESOSA-N 2 0 253.346 -0.377 20 0 CBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339629903 419703661 /nfs/dbraw/zinc/70/36/61/419703661.db2.gz DTKWUEASGHPFCR-LBPRGKRZSA-N 2 0 296.415 -0.251 20 0 CBADRP CN(C)C(=O)[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCN1 ZINC000647989965 419704077 /nfs/dbraw/zinc/70/40/77/419704077.db2.gz KTJJUPSSGNOCRG-CYBMUJFWSA-N 2 0 268.405 -0.262 20 0 CBADRP O=C1NC[C@@H]2C[N@H+](CCCC3CC[NH2+]CC3)CCN2C1=O ZINC000647990918 419704127 /nfs/dbraw/zinc/70/41/27/419704127.db2.gz VENUJLMOKHQXAZ-CYBMUJFWSA-N 2 0 294.399 -0.591 20 0 CBADRP CS(=O)(=O)NCC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647989090 419704281 /nfs/dbraw/zinc/70/42/81/419704281.db2.gz HGGUGFSSVFIFFN-GFCCVEGCSA-N 2 0 275.418 -0.143 20 0 CBADRP C[C@H](CNC(=O)C1(O)C[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000662731089 419707750 /nfs/dbraw/zinc/70/77/50/419707750.db2.gz XYRMXWGYVNHBFT-GFCCVEGCSA-N 2 0 277.368 -0.043 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000662730432 419707849 /nfs/dbraw/zinc/70/78/49/419707849.db2.gz FAUYOKIYHPQCEK-GHMZBOCLSA-N 2 0 270.377 -0.656 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C[N@@H+]1C1CC1 ZINC000647995925 419708336 /nfs/dbraw/zinc/70/83/36/419708336.db2.gz BQXQBISPZGVBCH-XWUBHJNHSA-N 2 0 296.415 -0.072 20 0 CBADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)C1(O)C[NH2+]C1 ZINC000662731641 419708591 /nfs/dbraw/zinc/70/85/91/419708591.db2.gz HUSFKDXIAQSUIU-UHFFFAOYSA-N 2 0 297.399 -0.528 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662758215 419709661 /nfs/dbraw/zinc/70/96/61/419709661.db2.gz OJPMWOZJPBIIOZ-MGPQQGTHSA-N 2 0 298.431 -0.508 20 0 CBADRP O=C(N1CCC([C@H]2CCC[NH2+]2)CC1)C1(O)C[NH2+]C1 ZINC000662761599 419710105 /nfs/dbraw/zinc/71/01/05/419710105.db2.gz OOKWSIZSEDFXCS-LLVKDONJSA-N 2 0 253.346 -0.689 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3)CC2)C1 ZINC000662760511 419710323 /nfs/dbraw/zinc/71/03/23/419710323.db2.gz WROHEQWDCHBRRL-MGPQQGTHSA-N 2 0 280.416 -0.038 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC000662755950 419710991 /nfs/dbraw/zinc/71/09/91/419710991.db2.gz DNLJJQBAPRCJFG-JHJVBQTASA-N 2 0 268.405 -0.277 20 0 CBADRP [NH3+]C1(CC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000662771800 419713421 /nfs/dbraw/zinc/71/34/21/419713421.db2.gz BFMUUUGEYWDIOT-VIFPVBQESA-N 2 0 294.321 -0.180 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000662560518 419641825 /nfs/dbraw/zinc/64/18/25/419641825.db2.gz FWZVJLXDVKIJNE-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC[N@@H+]1C ZINC000647728223 419643402 /nfs/dbraw/zinc/64/34/02/419643402.db2.gz NBKKCRLNLMBEAI-JHJVBQTASA-N 2 0 296.415 -0.360 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)F ZINC000662567604 419645111 /nfs/dbraw/zinc/64/51/11/419645111.db2.gz WDNRCIHXVODGQY-JGVFFNPUSA-N 2 0 253.293 -0.163 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000647757266 419647658 /nfs/dbraw/zinc/64/76/58/419647658.db2.gz FVJJXKZQRJXPMC-JTQLQIEISA-N 2 0 255.362 -0.049 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)CC1([NH3+])CCC1 ZINC000647769634 419652108 /nfs/dbraw/zinc/65/21/08/419652108.db2.gz BZLVVBMTFHLJLO-UHFFFAOYSA-N 2 0 254.378 -0.379 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647777663 419653278 /nfs/dbraw/zinc/65/32/78/419653278.db2.gz VOFGVKICZLRXTM-STQMWFEESA-N 2 0 268.405 -0.262 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000647777429 419653326 /nfs/dbraw/zinc/65/33/26/419653326.db2.gz PRJUTBODEVZTBS-ZDUSSCGKSA-N 2 0 254.378 -0.508 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000647777237 419653366 /nfs/dbraw/zinc/65/33/66/419653366.db2.gz GIEXMKJAGIKVFB-CYBMUJFWSA-N 2 0 280.416 -0.260 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647777661 419654641 /nfs/dbraw/zinc/65/46/41/419654641.db2.gz VOFGVKICZLRXTM-OLZOCXBDSA-N 2 0 268.405 -0.262 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662621933 419654836 /nfs/dbraw/zinc/65/48/36/419654836.db2.gz MFQDOTVYAZMFML-NEPJUHHUSA-N 2 0 296.415 -0.156 20 0 CBADRP CCC[NH2+][C@@H](C)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647777270 419655549 /nfs/dbraw/zinc/65/55/49/419655549.db2.gz HVGCLQOCEOKQSK-LBPRGKRZSA-N 2 0 256.394 -0.262 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000662633690 419656638 /nfs/dbraw/zinc/65/66/38/419656638.db2.gz NXSQNLXYVUUNCO-ZDUSSCGKSA-N 2 0 286.420 -0.635 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000647806998 419658127 /nfs/dbraw/zinc/65/81/27/419658127.db2.gz DTDUIFAECSQQRW-MNOVXSKESA-N 2 0 280.376 -0.212 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)C(C)(C)C[NH3+] ZINC000662632640 419658593 /nfs/dbraw/zinc/65/85/93/419658593.db2.gz SAIXUQNCOQSZNB-UHFFFAOYSA-N 2 0 258.410 -0.029 20 0 CBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1(O)C[NH2+]C1 ZINC000662794504 419726692 /nfs/dbraw/zinc/72/66/92/419726692.db2.gz RDUPSCHBRQFSEV-TZMCWYRMSA-N 2 0 289.379 -0.043 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CCO1 ZINC000648110749 419735981 /nfs/dbraw/zinc/73/59/81/419735981.db2.gz MDQJCWRQBQAISD-IUCAKERBSA-N 2 0 263.288 -0.583 20 0 CBADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662813278 419735943 /nfs/dbraw/zinc/73/59/43/419735943.db2.gz ISPHLKQAUIUCJY-VXGBXAGGSA-N 2 0 283.372 -0.934 20 0 CBADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000662815132 419738211 /nfs/dbraw/zinc/73/82/11/419738211.db2.gz HYVSTCHGARUWCK-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000648123008 419739601 /nfs/dbraw/zinc/73/96/01/419739601.db2.gz GYQZFRDYOFAVAS-LOWVWBTDSA-N 2 0 282.388 -0.704 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662832111 419741871 /nfs/dbraw/zinc/74/18/71/419741871.db2.gz DWRXZERKDIZELK-UONOGXRCSA-N 2 0 297.399 -0.312 20 0 CBADRP CCC(C)(C)[NH+]1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662832943 419742077 /nfs/dbraw/zinc/74/20/77/419742077.db2.gz XLSRBNIPVWDODN-UHFFFAOYSA-N 2 0 255.362 -0.347 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000648128719 419742880 /nfs/dbraw/zinc/74/28/80/419742880.db2.gz LWQRHYVBWGORRH-FOGDFJRCSA-N 2 0 270.377 -0.657 20 0 CBADRP CC[C@@H]1CN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC[C@@H]1[NH3+] ZINC000648126357 419742964 /nfs/dbraw/zinc/74/29/64/419742964.db2.gz HDMOSJRHPCLDFR-MDZLAQPJSA-N 2 0 284.404 -0.328 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CCC[NH2+]1 ZINC000648124188 419743142 /nfs/dbraw/zinc/74/31/42/419743142.db2.gz TWRHTFXPPNTOKP-SCRDCRAPSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662836963 419743278 /nfs/dbraw/zinc/74/32/78/419743278.db2.gz FCEVSDWCVBNOSB-MNOVXSKESA-N 2 0 268.361 -0.806 20 0 CBADRP O=C(N1CCC[C@@H](C2CC[NH2+]CC2)C1)C1(O)C[NH2+]C1 ZINC000662842750 419743943 /nfs/dbraw/zinc/74/39/43/419743943.db2.gz QDRBRRNFQDUERG-GFCCVEGCSA-N 2 0 267.373 -0.441 20 0 CBADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)C1(O)C[NH2+]C1 ZINC000662846783 419744007 /nfs/dbraw/zinc/74/40/07/419744007.db2.gz QROAEYUEHRSZSX-UHFFFAOYSA-N 2 0 297.399 -0.672 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)COC1(C)C[NH2+]C1 ZINC000648132291 419746151 /nfs/dbraw/zinc/74/61/51/419746151.db2.gz YYXLSZANUOCLLV-UWVGGRQHSA-N 2 0 259.325 -0.477 20 0 CBADRP COCC1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[NH2+]CC1 ZINC000648132950 419746215 /nfs/dbraw/zinc/74/62/15/419746215.db2.gz KQQACCFKLFHMGF-UTUOFQBUSA-N 2 0 267.373 -0.131 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000648136712 419747532 /nfs/dbraw/zinc/74/75/32/419747532.db2.gz FBROBTMPNZFLGG-SCVCMEIPSA-N 2 0 255.362 -0.132 20 0 CBADRP COC[C@@]1(CNC(=O)COC2(C)C[NH2+]C2)CCC[NH2+]1 ZINC000648136519 419749157 /nfs/dbraw/zinc/74/91/57/419749157.db2.gz OXWPRFVCPSHWRO-ZDUSSCGKSA-N 2 0 271.361 -0.750 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC[N@@H+]1C ZINC000648138331 419751553 /nfs/dbraw/zinc/75/15/53/419751553.db2.gz BTULFZXARZQBOH-MGPQQGTHSA-N 2 0 280.416 -0.167 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662857984 419752818 /nfs/dbraw/zinc/75/28/18/419752818.db2.gz SCIDWYKFCRNRJQ-OLZOCXBDSA-N 2 0 286.420 -0.650 20 0 CBADRP CC(C)(CCC[NH3+])NC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000648142404 419753864 /nfs/dbraw/zinc/75/38/64/419753864.db2.gz QGCPGMOOJAGCAE-NSHDSACASA-N 2 0 284.404 -0.040 20 0 CBADRP [NH3+]C1(C(=O)NC[C@H]2C[NH2+]CCCO2)Cc2ccccc2C1 ZINC000648148045 419755760 /nfs/dbraw/zinc/75/57/60/419755760.db2.gz ARIRQCVKWOILJQ-CQSZACIVSA-N 2 0 289.379 -0.023 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC1([NH3+])CCCC1 ZINC000662863568 419756428 /nfs/dbraw/zinc/75/64/28/419756428.db2.gz UJYWCZLVVBABRW-NSHDSACASA-N 2 0 270.377 -0.526 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)[C@H]1C[NH2+]CCC1(F)F ZINC000648148200 419758297 /nfs/dbraw/zinc/75/82/97/419758297.db2.gz RKHDLKHRTXPQBJ-NXEZZACHSA-N 2 0 277.315 -0.274 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1C[NH2+]CCC1(F)F ZINC000648148203 419759823 /nfs/dbraw/zinc/75/98/23/419759823.db2.gz RKHDLKHRTXPQBJ-ZJUUUORDSA-N 2 0 277.315 -0.274 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000648169054 419762115 /nfs/dbraw/zinc/76/21/15/419762115.db2.gz QJSOAGJJHMUEAY-BZPMIXESSA-N 2 0 296.415 -0.362 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662940217 419787104 /nfs/dbraw/zinc/78/71/04/419787104.db2.gz KSAFGJUWQMXDNB-UHFFFAOYSA-N 2 0 272.393 -0.408 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662939260 419787158 /nfs/dbraw/zinc/78/71/58/419787158.db2.gz MZISIZXFJDHKHL-UHFFFAOYSA-N 2 0 296.415 -0.264 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000648157843 419762751 /nfs/dbraw/zinc/76/27/51/419762751.db2.gz JKYOEAKKCKRVSX-XQQFMLRXSA-N 2 0 267.373 -0.083 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000648162498 419763396 /nfs/dbraw/zinc/76/33/96/419763396.db2.gz PSAKNYJHKKTOBP-NEPJUHHUSA-N 2 0 253.346 -0.282 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000662906026 419766888 /nfs/dbraw/zinc/76/68/88/419766888.db2.gz HZRBWLRSVMKYBZ-LPWJVIDDSA-N 2 0 264.373 -0.757 20 0 CBADRP [NH3+]CC1(CC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000662906411 419767525 /nfs/dbraw/zinc/76/75/25/419767525.db2.gz KAQZVCMSWJSLOC-LBPRGKRZSA-N 2 0 266.389 -0.379 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000662944496 419787289 /nfs/dbraw/zinc/78/72/89/419787289.db2.gz NJMTZMQMBYLRKE-VXGBXAGGSA-N 2 0 296.415 -0.265 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000662928176 419776966 /nfs/dbraw/zinc/77/69/66/419776966.db2.gz LNVZWEMBTUXXCX-MQYJIDSJSA-N 2 0 294.399 -0.511 20 0 CBADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662927892 419779520 /nfs/dbraw/zinc/77/95/20/419779520.db2.gz IABJZFFGCJIPMF-LBPRGKRZSA-N 2 0 298.431 -0.018 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000662930689 419780628 /nfs/dbraw/zinc/78/06/28/419780628.db2.gz UZSSIVLURQIMAV-ZDUSSCGKSA-N 2 0 296.415 -0.120 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000662930563 419781006 /nfs/dbraw/zinc/78/10/06/419781006.db2.gz SLDWSJUBCDWQJA-LBPRGKRZSA-N 2 0 282.388 -0.511 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000662930249 419782144 /nfs/dbraw/zinc/78/21/44/419782144.db2.gz NHVXVHLDMPSFNK-UHFFFAOYSA-N 2 0 270.377 -0.652 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662936731 419784754 /nfs/dbraw/zinc/78/47/54/419784754.db2.gz BLRUHLAWUMAZPN-NWDGAFQWSA-N 2 0 298.431 -0.019 20 0 CBADRP CC(C)([NH3+])c1cc(C(=O)NC[C@@H]2C[NH2+]CCCO2)on1 ZINC000662782553 419719981 /nfs/dbraw/zinc/71/99/81/419719981.db2.gz FONXQSBCNOAIDL-VIFPVBQESA-N 2 0 282.344 -0.023 20 0 CBADRP COC[C@]1(CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CCC[NH2+]1 ZINC000662781235 419720804 /nfs/dbraw/zinc/72/08/04/419720804.db2.gz UFAPEHHZIQRHMC-NQBHXWOUSA-N 2 0 271.361 -0.765 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662973494 419802383 /nfs/dbraw/zinc/80/23/83/419802383.db2.gz QXCBYVWNAHPHDA-OLZOCXBDSA-N 2 0 287.404 -0.081 20 0 CBADRP C[C@@]1(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000663011791 419810351 /nfs/dbraw/zinc/81/03/51/419810351.db2.gz SGCQYTRJXLHCMF-ZWNOBZJWSA-N 2 0 268.361 -0.887 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000648863446 419815661 /nfs/dbraw/zinc/81/56/61/419815661.db2.gz CRRLATPSGZPKMM-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCOC2(C[NH2+]C2)C1 ZINC000663218050 419829302 /nfs/dbraw/zinc/82/93/02/419829302.db2.gz YBPWCNIEOZLNMH-NEPJUHHUSA-N 2 0 265.357 -0.282 20 0 CBADRP CC(C)[C@H]1CN([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC[NH2+]1 ZINC000663222899 419829930 /nfs/dbraw/zinc/82/99/30/419829930.db2.gz OBDFVJDKSMLILB-OLZOCXBDSA-N 2 0 296.415 -0.395 20 0 CBADRP O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCOC2(C[NH2+]C2)C1 ZINC000663218063 419830889 /nfs/dbraw/zinc/83/08/89/419830889.db2.gz YJHOCHLFCVOBLL-PWSUYJOCSA-N 2 0 251.330 -0.813 20 0 CBADRP CC(C)[C@@H]1CN([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC[NH2+]1 ZINC000663222901 419830902 /nfs/dbraw/zinc/83/09/02/419830902.db2.gz OBDFVJDKSMLILB-STQMWFEESA-N 2 0 296.415 -0.395 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CCOC2(C)C)CC1 ZINC000663369602 419834858 /nfs/dbraw/zinc/83/48/58/419834858.db2.gz CMIXCDTXBSOKJK-KGLIPLIRSA-N 2 0 285.432 -0.001 20 0 CBADRP C[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)[NH+](C)C ZINC000649074515 419835590 /nfs/dbraw/zinc/83/55/90/419835590.db2.gz KMRPSSKBGWFXEO-QWRGUYRKSA-N 2 0 270.377 -0.485 20 0 CBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C1CC[NH+](C)CC1 ZINC000649074530 419835603 /nfs/dbraw/zinc/83/56/03/419835603.db2.gz LDAPQYOZMUCFDJ-LBPRGKRZSA-N 2 0 296.415 -0.093 20 0 CBADRP CC[NH+](CC)CCNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000663401366 419836112 /nfs/dbraw/zinc/83/61/12/419836112.db2.gz LSTOJTNSBXHXGU-RYUDHWBXSA-N 2 0 272.393 -0.356 20 0 CBADRP [NH3+][C@H](C(=O)N1CCOC2(C[NH2+]C2)C1)c1ccccc1 ZINC000663485814 419839738 /nfs/dbraw/zinc/83/97/38/419839738.db2.gz YRLDVEIQMDJMSR-LBPRGKRZSA-N 2 0 261.325 -0.113 20 0 CBADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663491968 419841439 /nfs/dbraw/zinc/84/14/39/419841439.db2.gz OPEJBIKRYNSVCS-CYBMUJFWSA-N 2 0 275.352 -0.243 20 0 CBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCOC3(C[NH2+]C3)C2)C1(C)C ZINC000663490511 419842083 /nfs/dbraw/zinc/84/20/83/419842083.db2.gz BKKFDBVIKUSVBL-ABAIWWIYSA-N 2 0 297.399 -0.280 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@]12C[C@H]1C[NH2+]C2 ZINC000663494308 419843035 /nfs/dbraw/zinc/84/30/35/419843035.db2.gz NSTYDDUFQKSQAD-KCQAQPDRSA-N 2 0 280.416 -0.085 20 0 CBADRP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCOC3(C[NH2+]C3)C2)C1(C)C ZINC000663490513 419843327 /nfs/dbraw/zinc/84/33/27/419843327.db2.gz BKKFDBVIKUSVBL-NHYWBVRUSA-N 2 0 297.399 -0.280 20 0 CBADRP O=C([C@@H]1CCC[N@H+](C[C@]23C[C@H]2C[NH2+]C3)C1)N1CC[NH2+]CC1 ZINC000663496862 419843657 /nfs/dbraw/zinc/84/36/57/419843657.db2.gz ZZPOITZGIACLBO-IJEWVQPXSA-N 3 0 292.427 -0.260 20 0 CBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCOC3(C[NH2+]C3)C2)C1(C)C ZINC000663490512 419843794 /nfs/dbraw/zinc/84/37/94/419843794.db2.gz BKKFDBVIKUSVBL-IAQYHMDHSA-N 2 0 297.399 -0.280 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H]1O ZINC000663681312 419854949 /nfs/dbraw/zinc/85/49/49/419854949.db2.gz JRIKHPRROZJRSY-RFGFWPKPSA-N 2 0 296.415 -0.071 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000662938641 419788569 /nfs/dbraw/zinc/78/85/69/419788569.db2.gz PGNGZSQQCBMVDZ-NEPJUHHUSA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]cn2)C[C@@H](C)[NH2+]1 ZINC000662953754 419792120 /nfs/dbraw/zinc/79/21/20/419792120.db2.gz PNJGPOLBYQSCPQ-NXEZZACHSA-N 2 0 279.344 -0.423 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662963621 419794591 /nfs/dbraw/zinc/79/45/91/419794591.db2.gz WUSHASPMYUZRMF-LLVKDONJSA-N 2 0 284.404 -0.265 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662963722 419795136 /nfs/dbraw/zinc/79/51/36/419795136.db2.gz WUSHASPMYUZRMF-NSHDSACASA-N 2 0 284.404 -0.265 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000662966111 419795159 /nfs/dbraw/zinc/79/51/59/419795159.db2.gz PIEOZYKRSWEOHI-LBPRGKRZSA-N 2 0 256.394 -0.262 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662963527 419795300 /nfs/dbraw/zinc/79/53/00/419795300.db2.gz UVCBWQPQCOBTQT-AVERBVTBSA-N 2 0 294.399 -0.511 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000662964556 419795471 /nfs/dbraw/zinc/79/54/71/419795471.db2.gz GKMPDNMXXCAHBK-LLVKDONJSA-N 2 0 265.361 -0.314 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000662966086 419796260 /nfs/dbraw/zinc/79/62/60/419796260.db2.gz OVUWIXLCYOYTQW-GHMZBOCLSA-N 2 0 270.377 -0.879 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000662968109 419798007 /nfs/dbraw/zinc/79/80/07/419798007.db2.gz SAUVLTAGUKKUPQ-NXEZZACHSA-N 2 0 266.349 -0.460 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662968866 419798141 /nfs/dbraw/zinc/79/81/41/419798141.db2.gz KTXSCNAUSDEEQW-WDEREUQCSA-N 2 0 280.376 -0.070 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)COC1(C)C[NH2+]C1 ZINC000649298929 419872028 /nfs/dbraw/zinc/87/20/28/419872028.db2.gz LXSVEEGSOOLDOS-UHFFFAOYSA-N 2 0 273.377 -0.551 20 0 CBADRP C[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000649314751 419877797 /nfs/dbraw/zinc/87/77/97/419877797.db2.gz OFRDMLYWOPZRDF-AAEUAGOBSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](NC(=O)[C@]1(N)CC[N@H+](C)C1)C1CC[NH+](C)CC1 ZINC000649314749 419877870 /nfs/dbraw/zinc/87/78/70/419877870.db2.gz OBWSADNAKSPXLL-RISCZKNCSA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@@H](CCNC(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+](C)C ZINC000664082230 419880350 /nfs/dbraw/zinc/88/03/50/419880350.db2.gz ACOLMKMNFUVCQO-STQMWFEESA-N 2 0 285.436 -0.128 20 0 CBADRP CC1(OCC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[NH2+]C1 ZINC000649320893 419882464 /nfs/dbraw/zinc/88/24/64/419882464.db2.gz DJLSINHCRVQGBY-CHWSQXEVSA-N 2 0 297.399 -0.578 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@@H]1O ZINC000664181141 419884125 /nfs/dbraw/zinc/88/41/25/419884125.db2.gz HFWWSNSGIGGDMB-RDBSUJKOSA-N 2 0 296.415 -0.213 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000649321381 419884890 /nfs/dbraw/zinc/88/48/90/419884890.db2.gz VVIOITJJNIJPQH-MCIONIFRSA-N 2 0 297.399 -0.578 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)COC2(C)C[NH2+]C2)C1 ZINC000649323562 419888390 /nfs/dbraw/zinc/88/83/90/419888390.db2.gz CIRNGZLNVCSCIQ-LLVKDONJSA-N 2 0 271.361 -0.798 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649344572 419897964 /nfs/dbraw/zinc/89/79/64/419897964.db2.gz DQANFDFXDWPGER-NDBYEHHHSA-N 2 0 269.389 -0.075 20 0 CBADRP CN(CCC[NH+](C)C)CCNc1cc[nH+]cc1C(N)=O ZINC000664248499 419891223 /nfs/dbraw/zinc/89/12/23/419891223.db2.gz ZERAZHYKGUGCJD-UHFFFAOYSA-N 2 0 279.388 -0.102 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCOCC1 ZINC000649332232 419891286 /nfs/dbraw/zinc/89/12/86/419891286.db2.gz IKKPBAUMMJSRAZ-GDNZZTSVSA-N 2 0 267.373 -0.321 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649350265 419899070 /nfs/dbraw/zinc/89/90/70/419899070.db2.gz WVLWAPTWWBNTFR-UTUOFQBUSA-N 2 0 252.362 -0.900 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649343574 419900404 /nfs/dbraw/zinc/90/04/04/419900404.db2.gz HQNQPIAQLYJPCV-WDNDVIMCSA-N 2 0 280.416 -0.406 20 0 CBADRP CC1(OCC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[NH2+]C1 ZINC000649345390 419900529 /nfs/dbraw/zinc/90/05/29/419900529.db2.gz YWFLWZQSYBBJIQ-CYBMUJFWSA-N 2 0 297.399 -0.454 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649350285 419900719 /nfs/dbraw/zinc/90/07/19/419900719.db2.gz ZCPMRTZCBYTAHK-NSHDSACASA-N 2 0 290.358 -0.405 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649352902 419903360 /nfs/dbraw/zinc/90/33/60/419903360.db2.gz SVJWFGUWFOEEAU-MNOVXSKESA-N 2 0 290.358 -0.407 20 0 CBADRP C[C@@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[NH+](C)C ZINC000649364508 419904025 /nfs/dbraw/zinc/90/40/25/419904025.db2.gz SZTMZUQSWQPYEH-SUHUHFCYSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C[NH+]1CCN(C)CC1 ZINC000649351416 419904621 /nfs/dbraw/zinc/90/46/21/419904621.db2.gz VXLZXDSCYFGDKO-MQYQWHSLSA-N 2 0 280.416 -0.549 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000649359322 419904679 /nfs/dbraw/zinc/90/46/79/419904679.db2.gz UCARNSUXJOWTSK-UONOGXRCSA-N 2 0 280.416 -0.166 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)COCC[NH3+])CC1 ZINC000649350612 419904725 /nfs/dbraw/zinc/90/47/25/419904725.db2.gz SHQLYZFUHUYFLI-LBPRGKRZSA-N 2 0 272.393 -0.896 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC2)C1 ZINC000649352760 419905030 /nfs/dbraw/zinc/90/50/30/419905030.db2.gz IUQLPBAOJRCMMR-TUVASFSCSA-N 2 0 292.427 -0.025 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@@H](F)C[C@H]2C[NH2+]C)CC1 ZINC000649360727 419905319 /nfs/dbraw/zinc/90/53/19/419905319.db2.gz JELIIUGCKMECMA-STQMWFEESA-N 2 0 286.395 -0.218 20 0 CBADRP CNC(=O)CN(C)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000668790577 544721601 /nfs/dbraw/zinc/72/16/01/544721601.db2.gz PSTAFMARZCWKHY-UHFFFAOYSA-N 2 0 292.387 -0.594 20 0 CBADRP C[NH2+]CCN(C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000649418750 419909936 /nfs/dbraw/zinc/90/99/36/419909936.db2.gz WDTAMGKRORGPDP-UHFFFAOYSA-N 2 0 268.405 -0.119 20 0 CBADRP [NH3+]CCOCCN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000649411134 419910096 /nfs/dbraw/zinc/91/00/96/419910096.db2.gz VQAGZNLOGXENHU-ZDUSSCGKSA-N 2 0 257.378 -0.242 20 0 CBADRP C[C@@H]1[C@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)CCC[N@@H+]1C ZINC000358658671 419910332 /nfs/dbraw/zinc/91/03/32/419910332.db2.gz DYCZGTYJVMGORC-BZPMIXESSA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358679873 419912947 /nfs/dbraw/zinc/91/29/47/419912947.db2.gz AZDZMGHPRMVKBR-DGCLKSJQSA-N 2 0 272.393 -0.308 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000664727397 419914040 /nfs/dbraw/zinc/91/40/40/419914040.db2.gz HLTYRHYMLWBYTI-SNVBAGLBSA-N 2 0 253.346 -0.425 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C1([NH+](C)C)CC1 ZINC000668581388 544708277 /nfs/dbraw/zinc/70/82/77/544708277.db2.gz CNYSLLQLMBRMMR-LLVKDONJSA-N 2 0 254.378 -0.557 20 0 CBADRP C[C@H]1CC[NH2+][C@H](C(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000664727828 419914585 /nfs/dbraw/zinc/91/45/85/419914585.db2.gz QZJFIRVAWVVUTH-QWRGUYRKSA-N 2 0 253.346 -0.425 20 0 CBADRP CCC[N@H+](C)CC(C)(C)NC(=O)CNC(=O)C[NH3+] ZINC000664719051 419914685 /nfs/dbraw/zinc/91/46/85/419914685.db2.gz KWTAVRUILGJCGN-UHFFFAOYSA-N 2 0 258.366 -0.702 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H](C)[NH3+])C1 ZINC000668727727 544718997 /nfs/dbraw/zinc/71/89/97/544718997.db2.gz PYTWJQBEIQBIGA-NWDGAFQWSA-N 2 0 272.393 -0.010 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H](C)[NH3+])C1 ZINC000668727728 544719501 /nfs/dbraw/zinc/71/95/01/544719501.db2.gz PYTWJQBEIQBIGA-RYUDHWBXSA-N 2 0 272.393 -0.010 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000669403151 544748673 /nfs/dbraw/zinc/74/86/73/544748673.db2.gz MFNKAOPWFNMUBK-LBPRGKRZSA-N 2 0 269.393 -0.715 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000669403285 544749243 /nfs/dbraw/zinc/74/92/43/544749243.db2.gz RHVSDZIJFZFPIS-TUAOUCFPSA-N 2 0 270.377 -0.162 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NCC[NH2+]C1CC1 ZINC000669451983 544749704 /nfs/dbraw/zinc/74/97/04/544749704.db2.gz ARWTTXVCXXIFGU-UHFFFAOYSA-N 2 0 258.366 -0.384 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000669402984 544749718 /nfs/dbraw/zinc/74/97/18/544749718.db2.gz DAEXYIZNPHFXIC-LLVKDONJSA-N 2 0 258.366 -0.384 20 0 CBADRP CN1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000669512557 544750771 /nfs/dbraw/zinc/75/07/71/544750771.db2.gz AFKIIJIWRHTUBC-GRYCIOLGSA-N 2 0 254.378 -0.395 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)[C@@H](C[NH3+])C1 ZINC000669491021 544750978 /nfs/dbraw/zinc/75/09/78/544750978.db2.gz IPBUOFCTNFIDHQ-KGLIPLIRSA-N 2 0 295.431 -0.245 20 0 CBADRP C[NH+](C)CC(=O)N1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649486377 419917003 /nfs/dbraw/zinc/91/70/03/419917003.db2.gz JWEQIUKDGQTBNR-CYBMUJFWSA-N 2 0 268.405 -0.214 20 0 CBADRP C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000672010704 544837706 /nfs/dbraw/zinc/83/77/06/544837706.db2.gz OOWSNIHDBXCBKI-LBPRGKRZSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)[NH+](C)C1CC1 ZINC000672207851 544842089 /nfs/dbraw/zinc/84/20/89/544842089.db2.gz IKXAAXSOHLGFKL-NEPJUHHUSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H](NCc1nc(C[NH3+])cc(=O)[nH]1)[C@H]1CCC[NH2+]1 ZINC000665294843 419937146 /nfs/dbraw/zinc/93/71/46/419937146.db2.gz XMSPOAAXFZSEDR-PSASIEDQSA-N 2 0 251.334 -0.129 20 0 CBADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCN(C)S(C)(=O)=O ZINC000665230652 419938454 /nfs/dbraw/zinc/93/84/54/419938454.db2.gz SVLRCSUDHZKNCO-ZJUUUORDSA-N 2 0 251.396 -0.017 20 0 CBADRP CCN1CCN(C(=O)[C@H](C)N2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359307696 419956016 /nfs/dbraw/zinc/95/60/16/419956016.db2.gz NYLNLXSQCBIMLC-IHRRRGAJSA-N 3 0 280.416 -0.310 20 0 CBADRP C[C@H](C(=O)NC[C@H]1CCCO1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359295840 419957541 /nfs/dbraw/zinc/95/75/41/419957541.db2.gz XQRUYHCLSQYLSJ-FVCCEPFGSA-N 2 0 267.373 -0.179 20 0 CBADRP C[C@@H](CNC(=O)N1CC(N2CC[C@@H](O)C2)C1)[N@H+](C)C1CC1 ZINC000650846910 419971544 /nfs/dbraw/zinc/97/15/44/419971544.db2.gz DYTSLEAWUIUSGD-SMDDNHRTSA-N 2 0 296.415 -0.071 20 0 CBADRP C[C@H](CNC(=O)N1CC(N2CC[C@@H](O)C2)C1)[N@H+](C)C1CC1 ZINC000650846909 419972260 /nfs/dbraw/zinc/97/22/60/419972260.db2.gz DYTSLEAWUIUSGD-BXUZGUMPSA-N 2 0 296.415 -0.071 20 0 CBADRP CC[NH+]1CCN(CC(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000360105525 420002736 /nfs/dbraw/zinc/00/27/36/420002736.db2.gz SDOURZIVYNKEHI-UHFFFAOYSA-N 2 0 268.405 -0.166 20 0 CBADRP CCO[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)C[C@H]1C[NH3+] ZINC000652217469 420050921 /nfs/dbraw/zinc/05/09/21/420050921.db2.gz YNRSPIQERHVEJX-QNWHQSFQSA-N 2 0 284.404 -0.010 20 0 CBADRP COCC[NH2+]CCNC(=O)NCCC1CC[NH2+]CC1 ZINC000652211928 420050949 /nfs/dbraw/zinc/05/09/49/420050949.db2.gz PRDMJBLYRDRJPB-UHFFFAOYSA-N 2 0 272.393 -0.089 20 0 CBADRP CCO[C@@H]1CN(C(=O)NCC2=CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000652213954 420051468 /nfs/dbraw/zinc/05/14/68/420051468.db2.gz MHOMJPQPMNSYME-CHWSQXEVSA-N 2 0 282.388 -0.089 20 0 CBADRP COCC[NH2+]CCNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652211809 420051562 /nfs/dbraw/zinc/05/15/62/420051562.db2.gz LOODYRDYVNESCP-JSGCOSHPSA-N 2 0 284.404 -0.007 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCCC2(C[NH3+])CC2)CCO1 ZINC000652232014 420054443 /nfs/dbraw/zinc/05/44/43/420054443.db2.gz OBONMMFYKUQGFG-MNOVXSKESA-N 2 0 270.377 -0.127 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000365105208 420055039 /nfs/dbraw/zinc/05/50/39/420055039.db2.gz NKEJSYXJZBKSRJ-SYEHKZFSSA-N 2 0 267.373 -0.038 20 0 CBADRP CCOCCN1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1C ZINC000365094447 420055070 /nfs/dbraw/zinc/05/50/70/420055070.db2.gz WDIKMDGJUCCDQU-YNEHKIRRSA-N 2 0 285.388 -0.722 20 0 CBADRP CCOCCN1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H]1CC ZINC000365091693 420055304 /nfs/dbraw/zinc/05/53/04/420055304.db2.gz OOWQMMORFXEFDQ-MGPQQGTHSA-N 2 0 299.415 -0.332 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000652336922 420056663 /nfs/dbraw/zinc/05/66/63/420056663.db2.gz OWCJWSHWYNZXRR-DZGCQCFKSA-N 2 0 299.415 -0.472 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652318154 420057085 /nfs/dbraw/zinc/05/70/85/420057085.db2.gz OKZPIRPUPDRMGF-AWEZNQCLSA-N 2 0 284.404 -0.258 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCCC1CC[NH2+]CC1 ZINC000652315759 420057275 /nfs/dbraw/zinc/05/72/75/420057275.db2.gz CTDJYHMNAGSGQR-AWEZNQCLSA-N 2 0 286.420 -0.012 20 0 CBADRP C[NH2+]C[C@](C)(O)CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000652338517 420057308 /nfs/dbraw/zinc/05/73/08/420057308.db2.gz QCQIVPGVZLHIAV-KBPBESRZSA-N 2 0 271.405 -0.247 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)NC[C@H]2C[NH2+]CCO2)cn1 ZINC000652612174 420070152 /nfs/dbraw/zinc/07/01/52/420070152.db2.gz KPFSFWHANIDOSK-GFCCVEGCSA-N 2 0 296.375 -0.445 20 0 CBADRP COCC1(C(=O)N[C@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000365421016 420060798 /nfs/dbraw/zinc/06/07/98/420060798.db2.gz SIQLYCINGAFDTJ-NSHDSACASA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000367475780 420106984 /nfs/dbraw/zinc/10/69/84/420106984.db2.gz FNFVAUIOJIHJSN-SRRSOLGSSA-N 2 0 253.346 -0.927 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1CCC[NH2+]CC1 ZINC000653043118 420109279 /nfs/dbraw/zinc/10/92/79/420109279.db2.gz BEWHAEFWEORECF-CYBMUJFWSA-N 2 0 268.405 -0.212 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000367475512 420109248 /nfs/dbraw/zinc/10/92/48/420109248.db2.gz BYRUTEXROFJTMZ-BFHYXJOUSA-N 2 0 275.352 -0.603 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653049423 420109802 /nfs/dbraw/zinc/10/98/02/420109802.db2.gz JTDAFXATQQOUBV-ZIAGYGMSSA-N 2 0 280.416 -0.119 20 0 CBADRP CCCN(C(=O)[C@@H](N)CC[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000653049145 420110299 /nfs/dbraw/zinc/11/02/99/420110299.db2.gz WEWLSSCOJLKSKT-NEPJUHHUSA-N 2 0 256.394 -0.134 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653045813 420110370 /nfs/dbraw/zinc/11/03/70/420110370.db2.gz NPXARZZTDULPBK-QWHCGFSZSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000672594002 544856317 /nfs/dbraw/zinc/85/63/17/544856317.db2.gz AZSYCCHIVPGHBQ-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653049420 420110743 /nfs/dbraw/zinc/11/07/43/420110743.db2.gz JTDAFXATQQOUBV-KBPBESRZSA-N 2 0 280.416 -0.119 20 0 CBADRP CN1CCN(C(=O)[C@H]2CCC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000653055205 420112012 /nfs/dbraw/zinc/11/20/12/420112012.db2.gz VMXXNIVBMMNXBO-NWDGAFQWSA-N 2 0 254.378 -0.523 20 0 CBADRP O=C(N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653054199 420112052 /nfs/dbraw/zinc/11/20/52/420112052.db2.gz DXHKHFUTZASOIY-OPDFLTKYSA-N 2 0 265.357 -0.425 20 0 CBADRP O=C(C[NH2+]CC1CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000367653078 420112638 /nfs/dbraw/zinc/11/26/38/420112638.db2.gz KUNAOOCMFRJWKO-ZDUSSCGKSA-N 2 0 266.389 -0.508 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N(CC(N)=O)C1CCCC1 ZINC000653067140 420112680 /nfs/dbraw/zinc/11/26/80/420112680.db2.gz QQMUZIOCWPNNBW-LLVKDONJSA-N 2 0 270.377 -0.478 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000653071933 420113032 /nfs/dbraw/zinc/11/30/32/420113032.db2.gz XTKQMIXYZWEMGA-NEPJUHHUSA-N 2 0 282.388 -0.465 20 0 CBADRP CC[C@H](C)NC(=O)CCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653074396 420113224 /nfs/dbraw/zinc/11/32/24/420113224.db2.gz GQGIVQOEUUSJCY-QWRGUYRKSA-N 2 0 272.393 -0.314 20 0 CBADRP C[C@@H](CNC(=O)[C@H](N)CC[NH+](C)C)Cn1cccn1 ZINC000653073248 420113287 /nfs/dbraw/zinc/11/32/87/420113287.db2.gz WYHUKKOLKGMWMC-NWDGAFQWSA-N 2 0 267.377 -0.086 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000653110690 420116879 /nfs/dbraw/zinc/11/68/79/420116879.db2.gz QUAMFLWHUGLTBN-DGCLKSJQSA-N 2 0 288.461 -0.181 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000672594004 544856950 /nfs/dbraw/zinc/85/69/50/544856950.db2.gz AZSYCCHIVPGHBQ-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653112345 420117044 /nfs/dbraw/zinc/11/70/44/420117044.db2.gz VWDBVSWILWJWDD-LOWVWBTDSA-N 2 0 253.346 -0.567 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653111383 420117282 /nfs/dbraw/zinc/11/72/82/420117282.db2.gz NQSWFYUJVZRXGH-JLNYLFASSA-N 2 0 279.384 -0.035 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653105396 420117443 /nfs/dbraw/zinc/11/74/43/420117443.db2.gz TULPDCCBSMEYRG-FZMZJTMJSA-N 2 0 269.389 -0.074 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653105491 420117585 /nfs/dbraw/zinc/11/75/85/420117585.db2.gz YEUTXTKKTLCCIO-SCRDCRAPSA-N 2 0 267.373 -0.177 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653116823 420118122 /nfs/dbraw/zinc/11/81/22/420118122.db2.gz VDHBHXYCATYHIM-GUTXKFCHSA-N 2 0 297.399 -0.551 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@H](N)CC[NH+](C)C)C1 ZINC000653121984 420118911 /nfs/dbraw/zinc/11/89/11/420118911.db2.gz HYTOAUBXCLZZLJ-VXGBXAGGSA-N 2 0 256.394 -0.277 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653123208 420120846 /nfs/dbraw/zinc/12/08/46/420120846.db2.gz RLENQWOZLZOBGB-YDHLFZDLSA-N 2 0 299.415 -0.305 20 0 CBADRP [NH3+][C@H]1CCC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653133720 420121324 /nfs/dbraw/zinc/12/13/24/420121324.db2.gz XJGKGMLILOIJDD-KQXIARHKSA-N 2 0 253.346 -0.392 20 0 CBADRP CC[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[C@H]1[NH3+] ZINC000653134832 420121374 /nfs/dbraw/zinc/12/13/74/420121374.db2.gz KMIYZXWSZMZZDQ-FMSGJZPZSA-N 2 0 267.373 -0.192 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653139644 420121417 /nfs/dbraw/zinc/12/14/17/420121417.db2.gz PIJQSPAUHTZLBM-WYUUTHIRSA-N 2 0 256.394 -0.232 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000653140362 420121638 /nfs/dbraw/zinc/12/16/38/420121638.db2.gz ZWIMJXCSALBDOB-RYUDHWBXSA-N 2 0 256.394 -0.005 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[C@H]1[NH3+] ZINC000653134831 420121732 /nfs/dbraw/zinc/12/17/32/420121732.db2.gz KMIYZXWSZMZZDQ-CZXHOFHRSA-N 2 0 267.373 -0.192 20 0 CBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653134072 420121864 /nfs/dbraw/zinc/12/18/64/420121864.db2.gz LOXMOOZKPWMYAV-KQXIARHKSA-N 2 0 253.346 -0.663 20 0 CBADRP O=C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653133193 420121954 /nfs/dbraw/zinc/12/19/54/420121954.db2.gz ADPUNOHZGWEJFM-FMSGJZPZSA-N 2 0 265.357 -0.425 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000653133758 420122229 /nfs/dbraw/zinc/12/22/29/420122229.db2.gz ZPGIDUVYLGZYEI-GRYCIOLGSA-N 2 0 254.378 -0.382 20 0 CBADRP O=C(N1CC[C@H]2[NH2+]CC[C@H]2C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653143568 420122933 /nfs/dbraw/zinc/12/29/33/420122933.db2.gz TYYVKBYYZCTGTJ-FMSGJZPZSA-N 2 0 265.357 -0.567 20 0 CBADRP O=C(NCCC[C@H]1CCC[NH2+]1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653145772 420123208 /nfs/dbraw/zinc/12/32/08/420123208.db2.gz LFPWOMOUZIKAOV-SCRDCRAPSA-N 2 0 267.373 -0.129 20 0 CBADRP C[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C[C@H]1C[NH3+] ZINC000653163172 420124321 /nfs/dbraw/zinc/12/43/21/420124321.db2.gz KENFEALNRMQORY-OPDFLTKYSA-N 2 0 267.373 -0.334 20 0 CBADRP COC[C@@]1(C(=O)NCCC2(C[NH3+])CC2)CC[NH2+]C1 ZINC000653222572 420127882 /nfs/dbraw/zinc/12/78/82/420127882.db2.gz HLRBBBMAVDUSNJ-CYBMUJFWSA-N 2 0 255.362 -0.142 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[C@H]1C[NH3+] ZINC000653247854 420129475 /nfs/dbraw/zinc/12/94/75/420129475.db2.gz VGXVEISBZFRMIV-PZWNZHSQSA-N 2 0 253.346 -0.441 20 0 CBADRP CCO[C@@H]1CN(C(=O)C[C@H]2CSCC[NH2+]2)C[C@H]1C[NH3+] ZINC000653247800 420129509 /nfs/dbraw/zinc/12/95/09/420129509.db2.gz RQYCIAWBUSRLOO-GRYCIOLGSA-N 2 0 287.429 -0.096 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)C[C@H]1C[NH3+] ZINC000653247449 420129735 /nfs/dbraw/zinc/12/97/35/420129735.db2.gz AZKZFMDKDFRDSQ-BYNQJWBRSA-N 2 0 267.373 -0.192 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)C[C@H]1C[NH3+] ZINC000653244128 420130116 /nfs/dbraw/zinc/13/01/16/420130116.db2.gz XYOLTNYUAYFSCJ-IJLUTSLNSA-N 2 0 255.362 -0.049 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C[C@H]1C[NH3+] ZINC000653247451 420130236 /nfs/dbraw/zinc/13/02/36/420130236.db2.gz AZKZFMDKDFRDSQ-GFQSEFKGSA-N 2 0 267.373 -0.192 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000368451381 420132474 /nfs/dbraw/zinc/13/24/74/420132474.db2.gz RVWODOQFMULFMZ-KBPBESRZSA-N 2 0 280.416 -0.118 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000368433487 420132996 /nfs/dbraw/zinc/13/29/96/420132996.db2.gz MPFABAJCRQHCAK-MROQNXINSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)[N@@H+]1CCC[C@H](C)C1 ZINC000368433489 420133466 /nfs/dbraw/zinc/13/34/66/420133466.db2.gz MPFABAJCRQHCAK-ZDEQEGDKSA-N 2 0 269.389 -0.054 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000653261264 420134044 /nfs/dbraw/zinc/13/40/44/420134044.db2.gz PPKLTNGJPSQUAO-AAVRWANBSA-N 2 0 297.399 -0.138 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NCCC2CC[NH2+]CC2)nn1 ZINC000653273315 420134516 /nfs/dbraw/zinc/13/45/16/420134516.db2.gz WZGGUDHDPYMGGN-UHFFFAOYSA-N 2 0 280.376 -0.254 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000368574159 420137008 /nfs/dbraw/zinc/13/70/08/420137008.db2.gz XHQYOKZVPYMHIR-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000368574160 420137629 /nfs/dbraw/zinc/13/76/29/420137629.db2.gz XHQYOKZVPYMHIR-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CCC[C@@H]2CO)C1=O ZINC000653285635 420137838 /nfs/dbraw/zinc/13/78/38/420137838.db2.gz UKXLBMGKOCBUSV-MNOVXSKESA-N 2 0 269.345 -0.868 20 0 CBADRP CN1CCC[C@@H]([NH2+][C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000653283966 420138801 /nfs/dbraw/zinc/13/88/01/420138801.db2.gz UTEUBTBAZRQVHT-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653348041 420140880 /nfs/dbraw/zinc/14/08/80/420140880.db2.gz ZPQBBXSEZXESFS-DYEKYZERSA-N 2 0 267.373 -0.368 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCCC1(C[NH3+])CC1)C1CC1 ZINC000652684802 420071727 /nfs/dbraw/zinc/07/17/27/420071727.db2.gz XSHYNQBTPHONNM-UHFFFAOYSA-N 2 0 296.415 -0.168 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000652695234 420072394 /nfs/dbraw/zinc/07/23/94/420072394.db2.gz PRHGVUPCCBLSTL-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000652694798 420072837 /nfs/dbraw/zinc/07/28/37/420072837.db2.gz HMYYLNBCIFYCRA-CYBMUJFWSA-N 2 0 298.431 -0.066 20 0 CBADRP C[NH+](C)CCN1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1=O ZINC000652734757 420078637 /nfs/dbraw/zinc/07/86/37/420078637.db2.gz VDJGYRKHQWAZTC-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)C[C@H]1[NH3+] ZINC000652733045 420078971 /nfs/dbraw/zinc/07/89/71/420078971.db2.gz ZRTAOKPSGRAFEP-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652732548 420079414 /nfs/dbraw/zinc/07/94/14/420079414.db2.gz NQLBPNNANXJNNT-LBPRGKRZSA-N 2 0 284.404 -0.264 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652735160 420079438 /nfs/dbraw/zinc/07/94/38/420079438.db2.gz DEEKYXJBGVAJTK-UHFFFAOYSA-N 2 0 284.404 -0.441 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000652726562 420080278 /nfs/dbraw/zinc/08/02/78/420080278.db2.gz BKKQIAXRBHUBLG-UHFFFAOYSA-N 2 0 284.404 -0.406 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652735514 420081260 /nfs/dbraw/zinc/08/12/60/420081260.db2.gz MQZHKYPALKJTOK-UHFFFAOYSA-N 2 0 284.404 -0.439 20 0 CBADRP C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000366347193 420083164 /nfs/dbraw/zinc/08/31/64/420083164.db2.gz NPTJKNQEXFDGID-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NCCNc1cc[nH+]cc1 ZINC000653346096 420141673 /nfs/dbraw/zinc/14/16/73/420141673.db2.gz ILOFVHSOFWYBGY-GFCCVEGCSA-N 2 0 265.361 -0.689 20 0 CBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)CCN2CCOCC2)C1 ZINC000366732835 420092628 /nfs/dbraw/zinc/09/26/28/420092628.db2.gz AFMKDBXINBIJIY-CQSZACIVSA-N 2 0 299.415 -0.114 20 0 CBADRP C[C@H]1C[NH+](CCCCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000370648214 420183263 /nfs/dbraw/zinc/18/32/63/420183263.db2.gz OSAURQQLFGKNPN-IGQOVBAYSA-N 2 0 299.415 -0.285 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654563883 420187713 /nfs/dbraw/zinc/18/77/13/420187713.db2.gz VDIYDPIOBYTHNF-SDDRHHMPSA-N 2 0 270.377 -0.603 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)n1 ZINC000375252759 420192106 /nfs/dbraw/zinc/19/21/06/420192106.db2.gz MGOXHRDZQIKFPH-SMDDNHRTSA-N 2 0 277.372 0.383 20 0 CBADRP C[N@H+](C[C@H](O)CNC[C@@H](O)C(F)(F)F)C1CC1 ZINC000383990744 420201282 /nfs/dbraw/zinc/20/12/82/420201282.db2.gz NDBAMWWXNGZRLZ-RKDXNWHRSA-N 2 0 256.268 -0.046 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](C(C)C)CC1 ZINC000382461214 420201355 /nfs/dbraw/zinc/20/13/55/420201355.db2.gz XZAGQSNQEOHENA-AWEZNQCLSA-N 2 0 273.421 -0.049 20 0 CBADRP CN(C(=O)C[C@H]1COCC[NH2+]1)[C@@H]1C[NH+]2CCC1CC2 ZINC000388624664 420205350 /nfs/dbraw/zinc/20/53/50/420205350.db2.gz ULPIALUWSQVXML-QWHCGFSZSA-N 2 0 267.373 -0.083 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](O)CN1CCOCC1)C1CC[NH+](C)CC1 ZINC000396458357 420213096 /nfs/dbraw/zinc/21/30/96/420213096.db2.gz OIHBRQMSWUMCFN-UKRRQHHQSA-N 2 0 285.432 -0.001 20 0 CBADRP C[C@H](NC(=O)[C@H]1C[NH2+]CCO1)C1CC[NH+](C)CC1 ZINC000396446357 420213428 /nfs/dbraw/zinc/21/34/28/420213428.db2.gz CMUHWOHPAOEGRY-CMPLNLGQSA-N 2 0 255.362 -0.179 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000653542041 420149964 /nfs/dbraw/zinc/14/99/64/420149964.db2.gz DKRNQNAYSUFCKG-ZNMIVQPWSA-N 2 0 285.432 -0.170 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000653694685 420158123 /nfs/dbraw/zinc/15/81/23/420158123.db2.gz NNWWWLNOGWDWPZ-HZSPNIEDSA-N 2 0 271.405 -0.439 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCC[NH2+]CC2)CC1=O ZINC000370021501 420170515 /nfs/dbraw/zinc/17/05/15/420170515.db2.gz QLKDLJYBJBXPRO-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654395405 420176900 /nfs/dbraw/zinc/17/69/00/420176900.db2.gz LXOQHVXMTXVBCC-FRRDWIJNSA-N 2 0 282.388 -0.459 20 0 CBADRP C[C@@H](CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)C1CC1 ZINC000654429035 420179021 /nfs/dbraw/zinc/17/90/21/420179021.db2.gz FYKGWWOZNCNVLP-FPMFFAJLSA-N 2 0 296.415 -0.071 20 0 CBADRP COCCN(C)C[C@H](O)C[NH+]1CCC(CO)(OC)CC1 ZINC000401779746 420222816 /nfs/dbraw/zinc/22/28/16/420222816.db2.gz VQNGVAXMDSONIA-ZDUSSCGKSA-N 2 0 290.404 -0.601 20 0 CBADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)CNC(=O)C[NH3+] ZINC000405010225 420226380 /nfs/dbraw/zinc/22/63/80/420226380.db2.gz CUYFQLHLMYRFFH-JTQLQIEISA-N 2 0 256.350 -0.996 20 0 CBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCC(=O)N1CCOCC1 ZINC000404765653 420226807 /nfs/dbraw/zinc/22/68/07/420226807.db2.gz MFDQHCQGQSGHMX-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP CCO[C@@H]1CN(CC(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000405559206 420227759 /nfs/dbraw/zinc/22/77/59/420227759.db2.gz CPOCVLZVVQUJBO-IGQOVBAYSA-N 2 0 299.415 -0.082 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655295151 420238069 /nfs/dbraw/zinc/23/80/69/420238069.db2.gz URZRGXZIENWHRI-FRRDWIJNSA-N 2 0 267.373 -0.394 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296828 420240109 /nfs/dbraw/zinc/24/01/09/420240109.db2.gz AMSWOEQHYPPJSY-NWDGAFQWSA-N 2 0 255.362 -0.394 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296658 420241804 /nfs/dbraw/zinc/24/18/04/420241804.db2.gz PEOKLECVODPDPM-HZSPNIEDSA-N 2 0 297.399 -0.768 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000419018925 420243559 /nfs/dbraw/zinc/24/35/59/420243559.db2.gz CWJSEIRSCAHGGD-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419135880 420243623 /nfs/dbraw/zinc/24/36/23/420243623.db2.gz MBCVHNYKEBKVOV-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000419018927 420244067 /nfs/dbraw/zinc/24/40/67/420244067.db2.gz CWJSEIRSCAHGGD-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000418937323 420244107 /nfs/dbraw/zinc/24/41/07/420244107.db2.gz KQKXFYAFSWMFJG-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000418948822 420244161 /nfs/dbraw/zinc/24/41/61/420244161.db2.gz QZXIMTWCWZIFRN-QWRGUYRKSA-N 2 0 272.393 -0.456 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000419427646 420244742 /nfs/dbraw/zinc/24/47/42/420244742.db2.gz SDBBITIQUHQFNB-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000419415247 420244932 /nfs/dbraw/zinc/24/49/32/420244932.db2.gz VCHHVDVTZDOLBM-UHFFFAOYSA-N 2 0 284.404 -0.488 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000419324545 420245441 /nfs/dbraw/zinc/24/54/41/420245441.db2.gz VQNMHJPSWHCBAS-IJLUTSLNSA-N 2 0 296.415 -0.158 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)CC[NH2+]C ZINC000419780878 420245480 /nfs/dbraw/zinc/24/54/80/420245480.db2.gz NGQLOJRORYDWQK-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000419337534 420245490 /nfs/dbraw/zinc/24/54/90/420245490.db2.gz QUCJRAXGKRYHHR-DMDPSCGWSA-N 2 0 296.415 -0.301 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N(C)CC[NH2+]C ZINC000419279882 420245877 /nfs/dbraw/zinc/24/58/77/420245877.db2.gz DMOCTUZPBBZBPQ-UHFFFAOYSA-N 2 0 272.393 -0.488 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419691687 420246045 /nfs/dbraw/zinc/24/60/45/420246045.db2.gz FLKAWXAPVUEFTF-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000419582140 420246085 /nfs/dbraw/zinc/24/60/85/420246085.db2.gz JEFWNJCXPONDRB-IJLUTSLNSA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419846160 420246106 /nfs/dbraw/zinc/24/61/06/420246106.db2.gz RGSBQXHZLDOJKL-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N(C)CC[NH2+]C ZINC000419755951 420246291 /nfs/dbraw/zinc/24/62/91/420246291.db2.gz ACIISCKWAXJAOW-UHFFFAOYSA-N 2 0 272.393 -0.488 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419901831 420247442 /nfs/dbraw/zinc/24/74/42/420247442.db2.gz VDLDYYGRZRVBDT-RYUDHWBXSA-N 2 0 296.415 -0.075 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000420079262 420248386 /nfs/dbraw/zinc/24/83/86/420248386.db2.gz PUEPLFXZHJAPSM-NSHDSACASA-N 2 0 284.404 -0.219 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000655448843 420248966 /nfs/dbraw/zinc/24/89/66/420248966.db2.gz ZLFLNIMCUHWQSQ-RYUDHWBXSA-N 2 0 268.405 -0.121 20 0 CBADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCNC(=O)C1 ZINC000420345922 420251915 /nfs/dbraw/zinc/25/19/15/420251915.db2.gz WVXDKIMSGLYJTC-OLZOCXBDSA-N 2 0 294.399 -0.734 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CCO1 ZINC000655453680 420252104 /nfs/dbraw/zinc/25/21/04/420252104.db2.gz NTKIOKAMTQQFGJ-MDZLAQPJSA-N 2 0 253.346 -0.438 20 0 CBADRP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000655462510 420253804 /nfs/dbraw/zinc/25/38/04/420253804.db2.gz QXTGHCMWMXSMTG-YCPHGPKFSA-N 2 0 292.427 -0.118 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655478180 420254324 /nfs/dbraw/zinc/25/43/24/420254324.db2.gz PFXPTGGXAWCADA-DMDPSCGWSA-N 2 0 253.346 -0.519 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)COC2(C)C[NH2+]C2)C1 ZINC000655489021 420255059 /nfs/dbraw/zinc/25/50/59/420255059.db2.gz MAUDVELOOBAXKQ-PHIMTYICSA-N 2 0 255.362 -0.179 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000423204437 420255593 /nfs/dbraw/zinc/25/55/93/420255593.db2.gz AUNCVBJPKPNDQF-UHFFFAOYSA-N 2 0 284.404 -0.393 20 0 CBADRP CC1CC[NH+](CC(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423535631 420257264 /nfs/dbraw/zinc/25/72/64/420257264.db2.gz DVFJLOUWUMTEAQ-LBPRGKRZSA-N 2 0 255.362 -0.096 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2C[C@H]2[NH3+])C1 ZINC000424160320 420258339 /nfs/dbraw/zinc/25/83/39/420258339.db2.gz UFLRRDIPANOVPT-GARJFASQSA-N 2 0 268.361 -0.963 20 0 CBADRP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000430901464 420272930 /nfs/dbraw/zinc/27/29/30/420272930.db2.gz USKLPKBIUDVLIY-NWDGAFQWSA-N 2 0 253.346 -0.330 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655917324 420276058 /nfs/dbraw/zinc/27/60/58/420276058.db2.gz PMEUKCUXQKIKPM-BDAKNGLRSA-N 2 0 297.325 -0.579 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655923687 420277767 /nfs/dbraw/zinc/27/77/67/420277767.db2.gz BICUMWUJFJFQIH-CBAPKCEASA-N 2 0 284.282 -0.758 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655925243 420279271 /nfs/dbraw/zinc/27/92/71/420279271.db2.gz ZDFBABOHLDMLMX-QMMMGPOBSA-N 2 0 286.298 -0.247 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000655961092 420282704 /nfs/dbraw/zinc/28/27/04/420282704.db2.gz FYUUKRQQGABBMW-BETUJISGSA-N 2 0 283.420 -0.469 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655965507 420284922 /nfs/dbraw/zinc/28/49/22/420284922.db2.gz FJYJPHAEHHDART-RVMXOQNASA-N 2 0 282.388 -0.555 20 0 CBADRP [NH3+][C@H]1CCC[C@@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655966411 420284974 /nfs/dbraw/zinc/28/49/74/420284974.db2.gz WGVWXWMBIFKKEC-QNWHQSFQSA-N 2 0 282.388 -0.283 20 0 CBADRP O=C(NCCC1=CC[NH2+]CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655967090 420285452 /nfs/dbraw/zinc/28/54/52/420285452.db2.gz MHHNMAIVPJMXGC-UONOGXRCSA-N 2 0 294.399 -0.243 20 0 CBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655967161 420285809 /nfs/dbraw/zinc/28/58/09/420285809.db2.gz OAIMSQMMJFOUNK-WUHRBBMRSA-N 2 0 282.388 -0.555 20 0 CBADRP C[C@H](Cn1cncn1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000657881519 420363448 /nfs/dbraw/zinc/36/34/48/420363448.db2.gz OTGSQEYUXRKRCP-QWHCGFSZSA-N 2 0 266.393 -0.108 20 0 CBADRP CCOC(=O)NCCC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000496726326 420324988 /nfs/dbraw/zinc/32/49/88/420324988.db2.gz HNDNNABKZAOLOT-JTQLQIEISA-N 2 0 272.349 -0.776 20 0 CBADRP CCOC(=O)NCCC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000496726327 420325425 /nfs/dbraw/zinc/32/54/25/420325425.db2.gz HNDNNABKZAOLOT-SNVBAGLBSA-N 2 0 272.349 -0.776 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000516768633 420363677 /nfs/dbraw/zinc/36/36/77/420363677.db2.gz NODDTRUUJJRBQQ-RNFRBKRXSA-N 2 0 257.256 -0.254 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000516787069 420363927 /nfs/dbraw/zinc/36/39/27/420363927.db2.gz LDSLLELSIJQIGI-QWRGUYRKSA-N 2 0 268.361 -0.983 20 0 CBADRP C[C@@H](Cn1cncn1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000657847340 420364464 /nfs/dbraw/zinc/36/44/64/420364464.db2.gz URIDDSRYDKOYMN-NWDGAFQWSA-N 2 0 253.350 -0.287 20 0 CBADRP C[C@@H]([NH3+])C1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000516568623 420360882 /nfs/dbraw/zinc/36/08/82/420360882.db2.gz PNUWARXDVPZTSQ-PWSUYJOCSA-N 2 0 255.362 -0.049 20 0 CBADRP CN1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)[C@H](C[NH3+])C1 ZINC000516648846 420361888 /nfs/dbraw/zinc/36/18/88/420361888.db2.gz ATMZFJLGBBTDHT-VXGBXAGGSA-N 2 0 266.389 -0.523 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656021605 420293864 /nfs/dbraw/zinc/29/38/64/420293864.db2.gz CYGZRVHKSIRYHT-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656022000 420294219 /nfs/dbraw/zinc/29/42/19/420294219.db2.gz RHBDHGWGYHAGJZ-SRVKXCTJSA-N 2 0 282.388 -0.417 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000446398360 420294613 /nfs/dbraw/zinc/29/46/13/420294613.db2.gz YFZQWBLUQPCLDD-JHJVBQTASA-N 2 0 296.415 -0.217 20 0 CBADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[NH2+]CC1 ZINC000656027596 420294908 /nfs/dbraw/zinc/29/49/08/420294908.db2.gz DQQORJNKCULYMB-CHWSQXEVSA-N 2 0 294.399 -0.449 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000656028507 420295204 /nfs/dbraw/zinc/29/52/04/420295204.db2.gz LXEKPCQESZATBP-YNEHKIRRSA-N 2 0 294.399 -0.321 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656025987 420295559 /nfs/dbraw/zinc/29/55/59/420295559.db2.gz YPNPVNYYIKODJD-FVCCEPFGSA-N 2 0 296.415 -0.443 20 0 CBADRP COCC1(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000656155008 420299655 /nfs/dbraw/zinc/29/96/55/420299655.db2.gz FKMDYMYWNASUBZ-CYBMUJFWSA-N 2 0 271.405 -0.389 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)CN2CCOCC2)C1 ZINC000656153045 420299871 /nfs/dbraw/zinc/29/98/71/420299871.db2.gz MTJABJKRTHADMG-HZSPNIEDSA-N 2 0 271.405 -0.391 20 0 CBADRP C[C@@H](C[C@@H]1COCC[NH2+]1)N1CCN(c2nncn2C)CC1 ZINC000656199804 420301834 /nfs/dbraw/zinc/30/18/34/420301834.db2.gz DRZVVDAVJAYQRM-QWHCGFSZSA-N 2 0 294.403 -0.296 20 0 CBADRP COc1c(N)ncnc1N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000656202884 420302152 /nfs/dbraw/zinc/30/21/52/420302152.db2.gz BIZKBSRPZVGFAU-UHFFFAOYSA-N 2 0 294.359 -0.722 20 0 CBADRP [NH3+]CC1(CC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000517028674 420369470 /nfs/dbraw/zinc/36/94/70/420369470.db2.gz MNAACHOZDQCVES-GFCCVEGCSA-N 2 0 266.389 -0.379 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000517028476 420370227 /nfs/dbraw/zinc/37/02/27/420370227.db2.gz GSUZKPKXFACVPH-STQMWFEESA-N 2 0 266.389 -0.365 20 0 CBADRP CC[C@H]1CN(C[C@@](C)(O)C[NH2+]C)CC[N@@H+]1CCOC ZINC000517034838 420370518 /nfs/dbraw/zinc/37/05/18/420370518.db2.gz ABNLJXLBERWQRO-KBPBESRZSA-N 2 0 273.421 -0.001 20 0 CBADRP CC[NH+](CC)CCO[C@H]1CCN([C@H]2CC(=O)NC2=O)C1 ZINC000517167964 420372474 /nfs/dbraw/zinc/37/24/74/420372474.db2.gz DFGGHYZRNYGUDT-RYUDHWBXSA-N 2 0 283.372 -0.166 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000517238976 420373858 /nfs/dbraw/zinc/37/38/58/420373858.db2.gz NWDIDVJXXBOCLC-ZOWXZIJZSA-N 2 0 294.399 -0.558 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)CN2CC(C)(C)C2)C1 ZINC000517245624 420374232 /nfs/dbraw/zinc/37/42/32/420374232.db2.gz XAAJQNNHIJSPSS-CYBMUJFWSA-N 2 0 255.362 -0.489 20 0 CBADRP C[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C1CC([NH3+])C1 ZINC000517236074 420374395 /nfs/dbraw/zinc/37/43/95/420374395.db2.gz JBLZOXJNCBGJKG-VOMCLLRMSA-N 2 0 254.378 -0.395 20 0 CBADRP O=C(NC1C[NH2+]C1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000517342725 420375666 /nfs/dbraw/zinc/37/56/66/420375666.db2.gz OXCKZURONRDAHX-CYBMUJFWSA-N 2 0 294.399 -0.449 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000518167858 420379744 /nfs/dbraw/zinc/37/97/44/420379744.db2.gz KLOUOCWIGGEJAI-IJLUTSLNSA-N 2 0 254.378 -0.476 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000518167877 420380053 /nfs/dbraw/zinc/38/00/53/420380053.db2.gz KLOUOCWIGGEJAI-SDDRHHMPSA-N 2 0 254.378 -0.476 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658522954 420381639 /nfs/dbraw/zinc/38/16/39/420381639.db2.gz RNZWWLLMKFIPDW-UHFFFAOYSA-N 2 0 296.415 -0.439 20 0 CBADRP C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)OCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000674232085 544898385 /nfs/dbraw/zinc/89/83/85/544898385.db2.gz OLSGZWARNHIAMV-VGWMRTNUSA-N 3 0 294.443 -0.695 20 0 CBADRP C[C@H]1CCCN(C(=O)c2cn(CC[NH3+])nn2)[C@@H]1C[NH3+] ZINC000659291179 420406703 /nfs/dbraw/zinc/40/67/03/420406703.db2.gz OUWXVTIAQSWWSK-GXSJLCMTSA-N 2 0 266.349 -0.564 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(CCO)CC1 ZINC000674774412 544915227 /nfs/dbraw/zinc/91/52/27/544915227.db2.gz BDBPHROAILMHKD-GFCCVEGCSA-N 2 0 255.362 -0.393 20 0 CBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000659320136 420410387 /nfs/dbraw/zinc/41/03/87/420410387.db2.gz ZIEBINQESQBQAX-VIFPVBQESA-N 2 0 252.322 -0.893 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000659431863 420418912 /nfs/dbraw/zinc/41/89/12/420418912.db2.gz QRZVBWSRBMHCCF-GFCCVEGCSA-N 2 0 285.436 -0.081 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659457246 420420190 /nfs/dbraw/zinc/42/01/90/420420190.db2.gz BZPQZBNCWFFQPY-MBHSVXNSSA-N 2 0 282.388 -0.160 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659447181 420420424 /nfs/dbraw/zinc/42/04/24/420420424.db2.gz XJTVDPGVAAPLGE-VIFPVBQESA-N 2 0 296.375 -0.220 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659453276 420420742 /nfs/dbraw/zinc/42/07/42/420420742.db2.gz JCANZXJSRCEANO-LXVYMNJGSA-N 2 0 281.404 -0.717 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](CC(N)=O)C2)CC1 ZINC000676881421 544964334 /nfs/dbraw/zinc/96/43/34/544964334.db2.gz XXZMVCLICRJTPV-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000659457757 420422327 /nfs/dbraw/zinc/42/23/27/420422327.db2.gz KHKHCIOKDZYJOP-ZDUSSCGKSA-N 2 0 285.436 -0.079 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659484598 420423130 /nfs/dbraw/zinc/42/31/30/420423130.db2.gz PODGTYUTPRKSPJ-GHMZBOCLSA-N 2 0 276.356 -0.355 20 0 CBADRP C[C@@H]1C[C@H](C)N(C(=O)c2cn(CC[NH3+])nn2)C[C@H]1C[NH3+] ZINC000659326044 420412647 /nfs/dbraw/zinc/41/26/47/420412647.db2.gz PTLPZKLOIHUGII-OUAUKWLOSA-N 2 0 280.376 -0.318 20 0 CBADRP C[C@@H]1C[C@@H](C)N(C(=O)c2cn(CC[NH3+])nn2)C[C@@H]1C[NH3+] ZINC000659326040 420412888 /nfs/dbraw/zinc/41/28/88/420412888.db2.gz PTLPZKLOIHUGII-MXWKQRLJSA-N 2 0 280.376 -0.318 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCC(C)(C)[NH3+] ZINC000659357568 420415407 /nfs/dbraw/zinc/41/54/07/420415407.db2.gz KBXVXSWGWQIIMK-UHFFFAOYSA-N 2 0 286.420 -0.018 20 0 CBADRP C[C@H](C[NH3+])C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659359342 420416527 /nfs/dbraw/zinc/41/65/27/420416527.db2.gz QJTBNRPJIOYVKJ-SNVBAGLBSA-N 2 0 258.366 -0.940 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCC1([NH3+])CCCC1 ZINC000659573673 420435085 /nfs/dbraw/zinc/43/50/85/420435085.db2.gz OYTULVMQVUEVAV-GFCCVEGCSA-N 2 0 272.393 -0.130 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)CCO1 ZINC000659611597 420437000 /nfs/dbraw/zinc/43/70/00/420437000.db2.gz OIAINRLRNGYQLR-MSLYCWSTSA-N 2 0 268.361 -0.504 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000659611210 420437215 /nfs/dbraw/zinc/43/72/15/420437215.db2.gz MFSMYOJAOLLHJJ-OWYJLGKBSA-N 2 0 293.415 -0.573 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC[C@H]2CCCC[NH2+]2)n1 ZINC000659508476 420425566 /nfs/dbraw/zinc/42/55/66/420425566.db2.gz QKMDGZKMQROLPK-SECBINFHSA-N 2 0 294.359 -0.418 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CCc2nnnn2C)CN1C1CC1 ZINC000678498353 545017746 /nfs/dbraw/zinc/01/77/46/545017746.db2.gz ICHCQDQOXMLACS-VHSXEESVSA-N 2 0 250.350 -0.033 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659516077 420427155 /nfs/dbraw/zinc/42/71/55/420427155.db2.gz OFOPZCGNQUNBSV-NSHDSACASA-N 2 0 285.392 -0.990 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659522941 420428166 /nfs/dbraw/zinc/42/81/66/420428166.db2.gz POLUOFBFXVDBEY-UHFFFAOYSA-N 2 0 296.375 -0.042 20 0 CBADRP COC[C@@]1(CNC(=O)NCC23CC(C2)C[NH2+]3)CCC[NH2+]1 ZINC000659543256 420430745 /nfs/dbraw/zinc/43/07/45/420430745.db2.gz UYVOUBXYERNAIB-QRMWWUJWSA-N 2 0 282.388 -0.194 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000659546471 420431005 /nfs/dbraw/zinc/43/10/05/420431005.db2.gz CHLGBDFGNMTJMA-NNYUYHANSA-N 2 0 252.362 -0.012 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000377580438 230294690 /nfs/dbraw/zinc/29/46/90/230294690.db2.gz CECACJDXKHFSOY-CHWSQXEVSA-N 2 0 268.405 -0.262 20 0 CBADRP [NH3+]C1(CNC(=O)NC[C@H]2C[NH2+]CCO2)CCCC1 ZINC000659556328 420433416 /nfs/dbraw/zinc/43/34/16/420433416.db2.gz WOJSVUMBNVAIIR-SNVBAGLBSA-N 2 0 256.350 -0.455 20 0 CBADRP CO[C@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000659564022 420433692 /nfs/dbraw/zinc/43/36/92/420433692.db2.gz BNQZJIMRZYJKMW-AXFHLTTASA-N 2 0 256.350 -0.504 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000659749994 420467184 /nfs/dbraw/zinc/46/71/84/420467184.db2.gz LHRUIOZUTAVOHZ-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000659750312 420467195 /nfs/dbraw/zinc/46/71/95/420467195.db2.gz BJTXVGBPNNJOND-VXGBXAGGSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659750075 420467356 /nfs/dbraw/zinc/46/73/56/420467356.db2.gz MKLRGLRVHNAHRO-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659749823 420467614 /nfs/dbraw/zinc/46/76/14/420467614.db2.gz KEYDYJFQDVUIQV-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000659753975 420467931 /nfs/dbraw/zinc/46/79/31/420467931.db2.gz CADWBCFTWJQWAR-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000659753250 420468157 /nfs/dbraw/zinc/46/81/57/420468157.db2.gz PCYBILFQPOBNIK-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659752657 420468303 /nfs/dbraw/zinc/46/83/03/420468303.db2.gz KZIYNTMPPWFTPO-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000659753253 420468429 /nfs/dbraw/zinc/46/84/29/420468429.db2.gz PCYBILFQPOBNIK-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000659755221 420469049 /nfs/dbraw/zinc/46/90/49/420469049.db2.gz JLJWJVWYAVGLAZ-FRRDWIJNSA-N 2 0 298.431 -0.053 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000659610165 420437720 /nfs/dbraw/zinc/43/77/20/420437720.db2.gz LZWXNKUVNNYIFK-CHWSQXEVSA-N 2 0 283.420 -0.245 20 0 CBADRP C[NH+](C)CCCNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000682110190 545054442 /nfs/dbraw/zinc/05/44/42/545054442.db2.gz AXAGTTOTTIUAIX-UHFFFAOYSA-N 2 0 272.393 -0.040 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000659639256 420441847 /nfs/dbraw/zinc/44/18/47/420441847.db2.gz YHMYFOUHTLNJPY-NSHDSACASA-N 2 0 272.393 -0.308 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000682615070 545059165 /nfs/dbraw/zinc/05/91/65/545059165.db2.gz YNZQTRRPAROCHG-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000659643098 420442675 /nfs/dbraw/zinc/44/26/75/420442675.db2.gz NNSAZGXXKRYBME-RYUDHWBXSA-N 2 0 269.393 -0.717 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000659642740 420442695 /nfs/dbraw/zinc/44/26/95/420442695.db2.gz LRCAEPXEQYFVPH-GHMZBOCLSA-N 2 0 285.392 -0.909 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000659642070 420442914 /nfs/dbraw/zinc/44/29/14/420442914.db2.gz JCANQHDGGBWKRW-NEPJUHHUSA-N 2 0 272.393 -0.260 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000659643106 420443760 /nfs/dbraw/zinc/44/37/60/420443760.db2.gz NPMQLVXBQYGAQB-NEPJUHHUSA-N 2 0 284.404 -0.009 20 0 CBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000566194219 420444112 /nfs/dbraw/zinc/44/41/12/420444112.db2.gz WQIXYVGFTPKCDF-MNOVXSKESA-N 2 0 265.361 0.381 20 0 CBADRP Nc1ncc(C[NH2+]CCCN2CC[NH2+]CC2)s1 ZINC000566068595 420444755 /nfs/dbraw/zinc/44/47/55/420444755.db2.gz RFPKWQCHZBHPNK-UHFFFAOYSA-N 2 0 255.391 0.110 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659675265 420446671 /nfs/dbraw/zinc/44/66/71/420446671.db2.gz MYINJIZMZYUOFU-QWRGUYRKSA-N 2 0 272.393 -0.443 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000659680214 420447488 /nfs/dbraw/zinc/44/74/88/420447488.db2.gz VLVULEQZKUQWPU-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)CC[N@@H+]1C ZINC000659677647 420448045 /nfs/dbraw/zinc/44/80/45/420448045.db2.gz GLSJREAZQJUQAP-VXGBXAGGSA-N 2 0 296.415 -0.027 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCCC1 ZINC000659686778 420448678 /nfs/dbraw/zinc/44/86/78/420448678.db2.gz JNLXSXVLSVQFIY-NSHDSACASA-N 2 0 294.399 -0.273 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659687395 420449046 /nfs/dbraw/zinc/44/90/46/420449046.db2.gz VEJIAJLAZWOKND-HBNTYKKESA-N 2 0 288.367 -0.660 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000659687061 420449319 /nfs/dbraw/zinc/44/93/19/420449319.db2.gz PSDHUXUJRVHZBB-UWVGGRQHSA-N 2 0 258.366 -0.833 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000659687888 420449830 /nfs/dbraw/zinc/44/98/30/420449830.db2.gz LDIPHTOAEVUVSV-NSHDSACASA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000659688628 420450152 /nfs/dbraw/zinc/45/01/52/420450152.db2.gz DGEOFQLZJBFXAW-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000659697005 420451102 /nfs/dbraw/zinc/45/11/02/420451102.db2.gz FTEODYYIYXXHMC-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000659697004 420451248 /nfs/dbraw/zinc/45/12/48/420451248.db2.gz FTEODYYIYXXHMC-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659698185 420451534 /nfs/dbraw/zinc/45/15/34/420451534.db2.gz AGFDMGRNGPUWSW-BZUNDVKYSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)C[NH2+]C)C1CC1 ZINC000659699949 420451569 /nfs/dbraw/zinc/45/15/69/420451569.db2.gz XXYVYSCEOBOJRE-JTQLQIEISA-N 2 0 270.377 -0.689 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000659702026 420452644 /nfs/dbraw/zinc/45/26/44/420452644.db2.gz LNAHCEZQARUZHP-LLVKDONJSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000659704338 420452804 /nfs/dbraw/zinc/45/28/04/420452804.db2.gz KJLDWITVKLBMDW-CMPLNLGQSA-N 2 0 282.388 -0.689 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659706081 420453321 /nfs/dbraw/zinc/45/33/21/420453321.db2.gz GXSNFHUDMLSXRD-GFCCVEGCSA-N 2 0 286.420 -0.066 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000659702013 420453454 /nfs/dbraw/zinc/45/34/54/420453454.db2.gz KVNHUGUWGXTXTJ-RYUDHWBXSA-N 2 0 296.415 -0.075 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH2+]CC)C1 ZINC000659709215 420453877 /nfs/dbraw/zinc/45/38/77/420453877.db2.gz ADQNIZDHSHWEOO-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000659709267 420453982 /nfs/dbraw/zinc/45/39/82/420453982.db2.gz GMMMKCZGUFOFAE-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659707149 420454536 /nfs/dbraw/zinc/45/45/36/420454536.db2.gz AVUIDRRFFLXNBL-WDEREUQCSA-N 2 0 272.393 -0.443 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000659710457 420455167 /nfs/dbraw/zinc/45/51/67/420455167.db2.gz PRVNKKYLFLLHTN-CYBMUJFWSA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000659715956 420456967 /nfs/dbraw/zinc/45/69/67/420456967.db2.gz UBDGNDAYGWXTJD-NWDGAFQWSA-N 2 0 282.388 -0.560 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000659714711 420457120 /nfs/dbraw/zinc/45/71/20/420457120.db2.gz LWVAXLJAYJZFDQ-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000659718025 420457852 /nfs/dbraw/zinc/45/78/52/420457852.db2.gz LKECKIRAJIJQLN-VXGBXAGGSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659716260 420457886 /nfs/dbraw/zinc/45/78/86/420457886.db2.gz VVHACMRSBFGWAL-NEPJUHHUSA-N 2 0 296.415 -0.027 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000659716134 420457904 /nfs/dbraw/zinc/45/79/04/420457904.db2.gz WIEVZNSGQZQBLC-NEPJUHHUSA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000659716135 420458052 /nfs/dbraw/zinc/45/80/52/420458052.db2.gz WIEVZNSGQZQBLC-NWDGAFQWSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659719470 420458878 /nfs/dbraw/zinc/45/88/78/420458878.db2.gz YMOCJJIVWCTECW-MNOVXSKESA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000659720270 420459268 /nfs/dbraw/zinc/45/92/68/420459268.db2.gz RXRZQZUPIIPKMH-NWDGAFQWSA-N 2 0 296.415 -0.171 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000659719660 420459435 /nfs/dbraw/zinc/45/94/35/420459435.db2.gz JJLPZQHLTCKPSS-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000659726256 420459818 /nfs/dbraw/zinc/45/98/18/420459818.db2.gz IQABSBFBGSKMLD-AVGNSLFASA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000659726258 420460366 /nfs/dbraw/zinc/46/03/66/420460366.db2.gz IQABSBFBGSKMLD-RWMBFGLXSA-N 2 0 296.415 -0.156 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000659725988 420460451 /nfs/dbraw/zinc/46/04/51/420460451.db2.gz GJCXNSSNYOHXFQ-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000659727635 420461270 /nfs/dbraw/zinc/46/12/70/420461270.db2.gz RVUOWORBEXNZRH-FRRDWIJNSA-N 2 0 298.431 -0.068 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659732479 420462415 /nfs/dbraw/zinc/46/24/15/420462415.db2.gz OMJKJZMWVNEKLM-GFCCVEGCSA-N 2 0 296.415 -0.025 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000659738870 420463016 /nfs/dbraw/zinc/46/30/16/420463016.db2.gz JKAJTEPEGWLAKB-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)C1 ZINC000659738287 420463088 /nfs/dbraw/zinc/46/30/88/420463088.db2.gz DHIJTGZELJVVQH-AGIUHOORSA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000659738276 420463328 /nfs/dbraw/zinc/46/33/28/420463328.db2.gz DGKIDVFMPMNNHF-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000659738281 420463455 /nfs/dbraw/zinc/46/34/55/420463455.db2.gz DGZVYXTZNWPHJU-AVGNSLFASA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)C1 ZINC000659739306 420464236 /nfs/dbraw/zinc/46/42/36/420464236.db2.gz QMSGXKYVNMDCIF-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000659739299 420464502 /nfs/dbraw/zinc/46/45/02/420464502.db2.gz QLBPHKAIAZTFRO-AGIUHOORSA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000659739507 420464680 /nfs/dbraw/zinc/46/46/80/420464680.db2.gz WLXRDRKWPYYXAF-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000659739045 420464758 /nfs/dbraw/zinc/46/47/58/420464758.db2.gz MAAIDTMFSGNZQF-FRRDWIJNSA-N 2 0 294.399 -0.735 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659749381 420465934 /nfs/dbraw/zinc/46/59/34/420465934.db2.gz HCEJGDNZLJTHHD-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659749821 420466846 /nfs/dbraw/zinc/46/68/46/420466846.db2.gz KEYDYJFQDVUIQV-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP Nc1ccc(CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000594738631 420486332 /nfs/dbraw/zinc/48/63/32/420486332.db2.gz IWUBINSWXYYMHA-GHMZBOCLSA-N 2 0 261.329 -0.592 20 0 CBADRP CC(C)[N@H+](C)C[C@H](O)CN1CCN2CCOC[C@@H]2C1 ZINC000660274435 420488247 /nfs/dbraw/zinc/48/82/47/420488247.db2.gz RUNNVJHEEJVBJC-KBPBESRZSA-N 2 0 271.405 -0.296 20 0 CBADRP CC(C)[N@H+](C)C[C@H](O)CN[C@@H](CO)c1cnn(C)c1 ZINC000660271656 420488290 /nfs/dbraw/zinc/48/82/90/420488290.db2.gz ZWBMTZJDPGDESN-OLZOCXBDSA-N 2 0 270.377 -0.256 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000517338037 260148636 /nfs/dbraw/zinc/14/86/36/260148636.db2.gz BEYFXGUMXGYHNI-XBFCOCLRSA-N 2 0 295.431 -0.328 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000516878920 260221477 /nfs/dbraw/zinc/22/14/77/260221477.db2.gz ACQHPUIXEJYWGU-SNVBAGLBSA-N 2 0 258.366 -0.750 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCCC(N)=O ZINC000517813655 260307974 /nfs/dbraw/zinc/30/79/74/260307974.db2.gz XNDFAOZLBZDZBD-UHFFFAOYSA-N 2 0 272.393 -0.406 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000517926851 260318764 /nfs/dbraw/zinc/31/87/64/260318764.db2.gz UVACTECZGJEHSZ-BARDWOONSA-N 2 0 297.443 -0.002 20 0 CBADRP C[NH+](C)CC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000517933410 260320154 /nfs/dbraw/zinc/32/01/54/260320154.db2.gz DKTQFINRKOCICK-LLVKDONJSA-N 2 0 255.362 -0.238 20 0 CBADRP [NH3+]CC1(CC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000517028675 261709669 /nfs/dbraw/zinc/70/96/69/261709669.db2.gz MNAACHOZDQCVES-LBPRGKRZSA-N 2 0 266.389 -0.379 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000518945856 265238728 /nfs/dbraw/zinc/23/87/28/265238728.db2.gz AFIQHNJUSAWTAJ-NSHDSACASA-N 2 0 282.388 -0.832 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000519654683 265521261 /nfs/dbraw/zinc/52/12/61/265521261.db2.gz VWRQQBMAUMHLLX-NEPJUHHUSA-N 2 0 253.346 -0.282 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000520226254 265691818 /nfs/dbraw/zinc/69/18/18/265691818.db2.gz FGMPSEUVZQOQEX-WDEREUQCSA-N 2 0 272.393 -0.132 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000237891905 269581441 /nfs/dbraw/zinc/58/14/41/269581441.db2.gz BZVSVOGRNTYCCG-VXGBXAGGSA-N 2 0 282.388 -0.558 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)c1cn(CCC[NH3+])nn1 ZINC000517230488 269596324 /nfs/dbraw/zinc/59/63/24/269596324.db2.gz KPPQSSRYKHPFIP-SNVBAGLBSA-N 2 0 268.365 -0.270 20 0 CBADRP C[C@@H](CCCC[NH3+])NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000522000233 269605864 /nfs/dbraw/zinc/60/58/64/269605864.db2.gz MTLJIEPMFLRGFL-NWDGAFQWSA-N 2 0 284.404 -0.122 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000529340212 269631268 /nfs/dbraw/zinc/63/12/68/269631268.db2.gz QQTZVXUFZPRYPJ-KXNHARMFSA-N 2 0 252.362 -0.156 20 0 CBADRP CN(C(=O)N[C@H]1CC[NH2+]C12CCC2)[C@H]1C[NH2+]C[C@@H]1O ZINC000529352001 269631651 /nfs/dbraw/zinc/63/16/51/269631651.db2.gz VAIVUDDBAOVCRE-DCAQKATOSA-N 2 0 268.361 -0.755 20 0 CBADRP C[C@@H]([NH3+])C1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529387230 269633880 /nfs/dbraw/zinc/63/38/80/269633880.db2.gz KVUUDHVUYCIHJB-ZYHUDNBSSA-N 2 0 270.377 -0.256 20 0 CBADRP NC(=O)NC(=O)CC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241008 269639632 /nfs/dbraw/zinc/63/96/32/269639632.db2.gz OSZAONANRBCSNQ-LBPRGKRZSA-N 2 0 298.387 -0.338 20 0 CBADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000343611882 287650980 /nfs/dbraw/zinc/65/09/80/287650980.db2.gz YPAMYEGXVAFVKK-RWMBFGLXSA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C[NH3+])CC1 ZINC000237431313 287684237 /nfs/dbraw/zinc/68/42/37/287684237.db2.gz OCTXOWJSOJKMPR-CHWSQXEVSA-N 2 0 268.405 -0.038 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419861249 276096830 /nfs/dbraw/zinc/09/68/30/276096830.db2.gz LSNAHGGINIAFEB-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000187885929 276173228 /nfs/dbraw/zinc/17/32/28/276173228.db2.gz IFUUOHIOAGXXPC-GRYCIOLGSA-N 2 0 255.362 -0.036 20 0 CBADRP CCC[C@H](C(=O)N(C)CC(=O)N1CC[NH2+]CC1)[NH+](C)C ZINC000353047685 276281246 /nfs/dbraw/zinc/28/12/46/276281246.db2.gz OKOHTGVZWOKRJH-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP CC[NH+](CC)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351534074 276326558 /nfs/dbraw/zinc/32/65/58/276326558.db2.gz CMPLFLKQFBWWNF-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419741747 276326682 /nfs/dbraw/zinc/32/66/82/276326682.db2.gz ZKTNNNYEBNTLJJ-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000420011287 276378336 /nfs/dbraw/zinc/37/83/36/276378336.db2.gz YQJTXITZNLIWDO-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000459898160 276759870 /nfs/dbraw/zinc/75/98/70/276759870.db2.gz OSKMLQVUSRACIQ-LBPRGKRZSA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000423625975 276779696 /nfs/dbraw/zinc/77/96/96/276779696.db2.gz RVIWNDUMMTVZTG-CHWSQXEVSA-N 2 0 296.415 -0.121 20 0 CBADRP C[NH+](C)CCOCC[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000423073209 276791825 /nfs/dbraw/zinc/79/18/25/276791825.db2.gz QYFDYGFBXKARHM-KGLIPLIRSA-N 2 0 271.405 -0.079 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000419555599 277266811 /nfs/dbraw/zinc/26/68/11/277266811.db2.gz JMKAJDLLTXILLQ-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419135963 277267952 /nfs/dbraw/zinc/26/79/52/277267952.db2.gz MPSRGQYUJBFLIP-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)C1 ZINC000419584470 277295425 /nfs/dbraw/zinc/29/54/25/277295425.db2.gz KVBOVYXNCDLOQH-WDEREUQCSA-N 2 0 282.388 -0.594 20 0 CBADRP CC(C)(C[NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000430889620 277297933 /nfs/dbraw/zinc/29/79/33/277297933.db2.gz LUSIANJUHHEPPY-JTQLQIEISA-N 2 0 270.377 -0.573 20 0 CBADRP CC(C)([NH3+])CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000418409890 277307377 /nfs/dbraw/zinc/30/73/77/277307377.db2.gz ATDUGXJZHYCRFL-LLVKDONJSA-N 2 0 272.393 -0.130 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000342765446 277319923 /nfs/dbraw/zinc/31/99/23/277319923.db2.gz OJZPACZCIJZMMJ-WOPDTQHZSA-N 2 0 283.372 -0.038 20 0 CBADRP C[C@@H]1C[C@H](C)N(C(=O)COC2C[NH2+]C2)C[C@@H]1C[NH3+] ZINC000424051311 278005089 /nfs/dbraw/zinc/00/50/89/278005089.db2.gz IZYBUFSOXLHLRG-VWYCJHECSA-N 2 0 255.362 -0.193 20 0 CBADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1C[NH3+] ZINC000422561156 278006165 /nfs/dbraw/zinc/00/61/65/278006165.db2.gz JKLKQOUZNKWRFS-GRYCIOLGSA-N 2 0 294.399 -0.111 20 0 CBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CNC(=O)C[NH3+] ZINC000262397710 278195437 /nfs/dbraw/zinc/19/54/37/278195437.db2.gz NESBWSKSGFQJIV-GRYCIOLGSA-N 2 0 284.404 -0.456 20 0 CBADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000430689282 278223314 /nfs/dbraw/zinc/22/33/14/278223314.db2.gz CXKDLQTVOLLHOR-NEPJUHHUSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)[N@H+](C)C1CC1 ZINC000419591443 278268701 /nfs/dbraw/zinc/26/87/01/278268701.db2.gz RCXHDZXANKAGIQ-GRYCIOLGSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000351518589 278270068 /nfs/dbraw/zinc/27/00/68/278270068.db2.gz CRBGHLVSYSMVDF-JQWIXIFHSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)C[NH+]1CCCC1 ZINC000062076475 278280890 /nfs/dbraw/zinc/28/08/90/278280890.db2.gz QHQUOAUCUVXRAR-SDDRHHMPSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@H]1CC2(CN1C(=O)[C@@H]1C[NH2+]CCO1)CC[NH2+]CC2 ZINC000424223053 278327724 /nfs/dbraw/zinc/32/77/24/278327724.db2.gz KQPKPOHBWLPPMN-RYUDHWBXSA-N 2 0 267.373 -0.035 20 0 CBADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000375976294 278526241 /nfs/dbraw/zinc/52/62/41/278526241.db2.gz UFUORWCVYJJPIS-NWDGAFQWSA-N 2 0 268.405 -0.134 20 0 CBADRP CC1CC[NH+](CC(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423535630 278537993 /nfs/dbraw/zinc/53/79/93/278537993.db2.gz DVFJLOUWUMTEAQ-GFCCVEGCSA-N 2 0 255.362 -0.096 20 0 CBADRP CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000514670823 278547302 /nfs/dbraw/zinc/54/73/02/278547302.db2.gz KTQKSHHUOJARLJ-OLZOCXBDSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000364032665 278565328 /nfs/dbraw/zinc/56/53/28/278565328.db2.gz DHTYCNFKWXZPHO-KCJUWKMLSA-N 2 0 263.345 -0.217 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419849211 278857158 /nfs/dbraw/zinc/85/71/58/278857158.db2.gz XYHDESZKCGJZFE-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418937896 279114535 /nfs/dbraw/zinc/11/45/35/279114535.db2.gz LFBBLASRCGWFGF-UPJWGTAASA-N 2 0 296.415 -0.489 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000418957403 279114552 /nfs/dbraw/zinc/11/45/52/279114552.db2.gz ZMLPVUWQWQTLDJ-SNVBAGLBSA-N 2 0 272.393 -0.314 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419786475 279155079 /nfs/dbraw/zinc/15/50/79/279155079.db2.gz VASDLBNCSAOWGO-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CC(C)C[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)[NH+](C)C ZINC000226825307 279159785 /nfs/dbraw/zinc/15/97/85/279159785.db2.gz CAUVCDGWAKUWBP-UTUOFQBUSA-N 2 0 257.378 -0.198 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000423060938 279166232 /nfs/dbraw/zinc/16/62/32/279166232.db2.gz PWPTWFKITMWHBO-OLZOCXBDSA-N 2 0 296.415 -0.121 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000423056183 279166439 /nfs/dbraw/zinc/16/64/39/279166439.db2.gz FLWXUCDKIVPLAU-RYUDHWBXSA-N 2 0 282.388 -0.511 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419338009 288115494 /nfs/dbraw/zinc/11/54/94/288115494.db2.gz RRFQAWYDHDNRNA-WZRBSPASSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000355296529 279257064 /nfs/dbraw/zinc/25/70/64/279257064.db2.gz HQLXETUQEXAQQH-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000332390177 279282818 /nfs/dbraw/zinc/28/28/18/279282818.db2.gz ZOZYISSOROMWOK-UHFFFAOYSA-N 2 0 296.415 -0.249 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000332247874 279284304 /nfs/dbraw/zinc/28/43/04/279284304.db2.gz AZYYSTDPVNIRRO-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333370973 288120893 /nfs/dbraw/zinc/12/08/93/288120893.db2.gz MJWWUERTUUNDJR-WSLQDRLSSA-N 2 0 264.373 -0.014 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000419576804 279325703 /nfs/dbraw/zinc/32/57/03/279325703.db2.gz CKGGVORZRTZWKX-CKYFFXLPSA-N 2 0 282.388 -0.609 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2C[NH2+]C2)CC1=O ZINC000378189422 279330948 /nfs/dbraw/zinc/33/09/48/279330948.db2.gz YATMAJNLNVLDPX-YPMHNXCESA-N 2 0 294.399 -0.593 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000418297034 279635922 /nfs/dbraw/zinc/63/59/22/279635922.db2.gz KEYAZNZFMRBVGB-STQMWFEESA-N 2 0 283.420 -0.292 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000375833411 279791061 /nfs/dbraw/zinc/79/10/61/279791061.db2.gz HMLPIDUTAVTVSO-RDBSUJKOSA-N 2 0 297.399 -0.578 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000364564268 280143742 /nfs/dbraw/zinc/14/37/42/280143742.db2.gz TXNIKMKAUGDAIN-JHJVBQTASA-N 2 0 267.373 -0.035 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000424200732 280143911 /nfs/dbraw/zinc/14/39/11/280143911.db2.gz RFZBLBUTPBGBPN-FRRDWIJNSA-N 2 0 267.373 -0.035 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@H]1C[NH2+]CCN1C)[NH+](C)C ZINC000449695610 280173246 /nfs/dbraw/zinc/17/32/46/280173246.db2.gz IVKURAKWQIJRFM-NWDGAFQWSA-N 2 0 256.394 -0.408 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000419982068 280282871 /nfs/dbraw/zinc/28/28/71/280282871.db2.gz SQLQKQYNHIDTAC-QWHCGFSZSA-N 2 0 296.415 -0.219 20 0 CBADRP CC[C@@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CC[N@@H+]1C[C@@H](C)O ZINC000262367725 280352391 /nfs/dbraw/zinc/35/23/91/280352391.db2.gz LGQXAQBOIDTFTO-HZSPNIEDSA-N 2 0 299.415 -0.332 20 0 CBADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)N(CC[NH3+])CCO ZINC000418636412 281000100 /nfs/dbraw/zinc/00/01/00/281000100.db2.gz IIYNCIXDDGTPNL-NSHDSACASA-N 2 0 272.393 -0.273 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000515224656 288306654 /nfs/dbraw/zinc/30/66/54/288306654.db2.gz WYSMKDYLTXDPPL-KGYLQXTDSA-N 2 0 294.399 -0.465 20 0 CBADRP C[NH+](C)C/C=C/C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000376622875 282018820 /nfs/dbraw/zinc/01/88/20/282018820.db2.gz XYQUNMPVGFPZSE-BTDICHCPSA-N 2 0 255.362 -0.107 20 0 CBADRP CCC(CC)(C[NH3+])C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000516067858 282072137 /nfs/dbraw/zinc/07/21/37/282072137.db2.gz KPIYXEPRWXOQMX-LLVKDONJSA-N 2 0 256.394 -0.229 20 0 CBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424150229 288944762 /nfs/dbraw/zinc/94/47/62/288944762.db2.gz YLNAJOGAEXIWEU-NEPJUHHUSA-N 2 0 282.388 -0.608 20 0 CBADRP C[NH+](C)C(C)(C)CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354714816 289035281 /nfs/dbraw/zinc/03/52/81/289035281.db2.gz PBJGERRHNVKRAS-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH+](C)C/C=C\C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000492040244 289040538 /nfs/dbraw/zinc/04/05/38/289040538.db2.gz KYMBWALOIGIYKG-PLNGDYQASA-N 2 0 255.362 -0.323 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NCC2([NH3+])CCC2)CCCC1 ZINC000418835986 289043232 /nfs/dbraw/zinc/04/32/32/289043232.db2.gz ONOJYUKUCOBBSP-UHFFFAOYSA-N 2 0 296.415 -0.025 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)NCC2([NH3+])CCC2)CCC[N@@H+]1C ZINC000419563352 289049650 /nfs/dbraw/zinc/04/96/50/289049650.db2.gz WHKHSROFXYBJGC-GHMZBOCLSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@@H]1[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC[N@@H+]1C ZINC000418002232 289056794 /nfs/dbraw/zinc/05/67/94/289056794.db2.gz MCMWVOVQRZRUAQ-ZIQFBCGOSA-N 2 0 252.362 -0.014 20 0 CBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000423739493 289137178 /nfs/dbraw/zinc/13/71/78/289137178.db2.gz FXWBOGGKZPGPKD-UONOGXRCSA-N 2 0 299.415 -0.066 20 0 CBADRP C[NH+](C)CCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000357237059 289160636 /nfs/dbraw/zinc/16/06/36/289160636.db2.gz FDAZYXNDMUXQQP-UHFFFAOYSA-N 3 0 256.394 -0.133 20 0 CBADRP C[NH+](C)C[C@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)CCO1 ZINC000423764959 289216827 /nfs/dbraw/zinc/21/68/27/289216827.db2.gz WIKCYYJHAPDHEE-NWDGAFQWSA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+](C)[C@@H]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000332137479 289316886 /nfs/dbraw/zinc/31/68/86/289316886.db2.gz LLJDNHKYHGDQKJ-VXGBXAGGSA-N 2 0 292.387 -0.021 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000418763050 289370070 /nfs/dbraw/zinc/37/00/70/289370070.db2.gz JIAZIRVSHCNMMQ-RYUDHWBXSA-N 2 0 270.377 -0.290 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000435906236 289462496 /nfs/dbraw/zinc/46/24/96/289462496.db2.gz JRYNXNZWKFXJJS-IUODEOHRSA-N 2 0 294.399 -0.734 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000375832089 289528791 /nfs/dbraw/zinc/52/87/91/289528791.db2.gz BJEMDGPFRSOZEM-WOPDTQHZSA-N 2 0 255.362 -0.361 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000423228093 289645685 /nfs/dbraw/zinc/64/56/85/289645685.db2.gz YDOYECNKXWOLSZ-CYBMUJFWSA-N 2 0 296.415 -0.120 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436287989 290035599 /nfs/dbraw/zinc/03/55/99/290035599.db2.gz DWAZKHQXXLWNBC-UMVBOHGHSA-N 2 0 280.416 -0.262 20 0 CBADRP CN1CC[NH+]([C@@H]2CCCCN(C(=O)C3C[NH2+]C3)C2)CC1 ZINC000367828490 290054724 /nfs/dbraw/zinc/05/47/24/290054724.db2.gz UUFLUMLACDPIBT-CQSZACIVSA-N 2 0 280.416 -0.166 20 0 CBADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2CCNC2=O)CC1 ZINC000245681669 290085120 /nfs/dbraw/zinc/08/51/20/290085120.db2.gz KZRSLRSXDMKSQD-AAEUAGOBSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)C[C@H]1C ZINC000430724001 290092967 /nfs/dbraw/zinc/09/29/67/290092967.db2.gz UNWGGNOJHHXRSO-FRRDWIJNSA-N 2 0 285.388 -0.722 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000332713211 290171353 /nfs/dbraw/zinc/17/13/53/290171353.db2.gz LRJIQRJIZOYVBP-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000333938556 295259805 /nfs/dbraw/zinc/25/98/05/295259805.db2.gz MNPXYCZRDCYADA-JHJVBQTASA-N 2 0 282.388 -0.018 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000332196345 295317634 /nfs/dbraw/zinc/31/76/34/295317634.db2.gz QNMGWJLAUOPVJH-OLZOCXBDSA-N 2 0 294.399 -0.367 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000332196343 295317771 /nfs/dbraw/zinc/31/77/71/295317771.db2.gz QNMGWJLAUOPVJH-CHWSQXEVSA-N 2 0 294.399 -0.367 20 0 CBADRP [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)C3C[NH2+]C3)CC2)C1 ZINC000424274952 295340755 /nfs/dbraw/zinc/34/07/55/295340755.db2.gz ARDLFHSNLOVENP-STQMWFEESA-N 2 0 267.373 -0.049 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377562205 295549159 /nfs/dbraw/zinc/54/91/59/295549159.db2.gz JSAJXCMWNOKXLE-STQMWFEESA-N 2 0 298.456 -0.412 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCN1CC[NH2+]CC1 ZINC000333773903 297113005 /nfs/dbraw/zinc/11/30/05/297113005.db2.gz CLXHNRKLOYRCOK-NWDGAFQWSA-N 2 0 269.393 -0.717 20 0 CBADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000343638919 297714947 /nfs/dbraw/zinc/71/49/47/297714947.db2.gz KJDAUNWGYRBBIQ-NEPJUHHUSA-N 2 0 277.372 -0.090 20 0 CBADRP C[C@H](CC(=O)N(C)C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000341277666 298279825 /nfs/dbraw/zinc/27/98/25/298279825.db2.gz MKVYHOILRVJTTN-LLVKDONJSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000417322144 298411763 /nfs/dbraw/zinc/41/17/63/298411763.db2.gz UXUGLHORQBIWGX-CYBMUJFWSA-N 2 0 285.436 -0.079 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000357245540 298520375 /nfs/dbraw/zinc/52/03/75/298520375.db2.gz VMINZDMNXZCWQS-NEPJUHHUSA-N 2 0 255.362 -0.238 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000419231886 298523070 /nfs/dbraw/zinc/52/30/70/298523070.db2.gz DGTYHMBNKVTFGT-SNVBAGLBSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H](NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1)C(=O)N(C)C ZINC000431028362 299050598 /nfs/dbraw/zinc/05/05/98/299050598.db2.gz PNTZINJKBGWZAT-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000349029316 300231627 /nfs/dbraw/zinc/23/16/27/300231627.db2.gz QLTSJAQAXIMMOT-GWCFXTLKSA-N 2 0 267.373 -0.036 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000575309728 335091847 /nfs/dbraw/zinc/09/18/47/335091847.db2.gz URJGHTQRNWSXCP-MNOVXSKESA-N 2 0 270.377 -0.512 20 0 CBADRP NC(=O)NC(=O)CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363256520 303268817 /nfs/dbraw/zinc/26/88/17/303268817.db2.gz LIELMUXHJJSXDX-IJLUTSLNSA-N 2 0 280.372 -0.013 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCC1 ZINC000515814666 303357295 /nfs/dbraw/zinc/35/72/95/303357295.db2.gz PWUBFDSIKCVXBL-LBPRGKRZSA-N 2 0 294.399 -0.319 20 0 CBADRP [NH3+]CCN(CCO)C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418637649 303380539 /nfs/dbraw/zinc/38/05/39/303380539.db2.gz NUJONYHZTRBGBK-AWEZNQCLSA-N 2 0 292.383 -0.164 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000132201122 303382726 /nfs/dbraw/zinc/38/27/26/303382726.db2.gz JHGYFHMQYBOIPF-ZWNOBZJWSA-N 2 0 286.351 -0.999 20 0 CBADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000418297023 303421677 /nfs/dbraw/zinc/42/16/77/303421677.db2.gz KEYAZNZFMRBVGB-CHWSQXEVSA-N 2 0 283.420 -0.292 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000367164408 303428657 /nfs/dbraw/zinc/42/86/57/303428657.db2.gz HVRRHZZXBLBXAD-KXNHARMFSA-N 2 0 253.346 -0.154 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000418666935 303926111 /nfs/dbraw/zinc/92/61/11/303926111.db2.gz FRPCMZNLKPDCSX-NDBYEHHHSA-N 2 0 262.357 -0.140 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000580312530 327780874 /nfs/dbraw/zinc/78/08/74/327780874.db2.gz WBOHTBDCEMNMOS-JQWIXIFHSA-N 2 0 270.377 -0.798 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCCN2CC[NH2+]CC2)CC[NH2+]1 ZINC000580324203 327807448 /nfs/dbraw/zinc/80/74/48/327807448.db2.gz JPCJDQLYRMQOFB-RYUDHWBXSA-N 2 0 254.378 -0.604 20 0 CBADRP C[C@@H](C[NH2+]C[C@H](O)Cn1cccn1)CN1CC[NH+](C)CC1 ZINC000582116984 327877470 /nfs/dbraw/zinc/87/74/70/327877470.db2.gz ABLVFJQSJGQDEV-GJZGRUSLSA-N 2 0 295.431 -0.283 20 0 CBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C[NH2+]C3CC3)C2)CC1 ZINC000563073707 327886504 /nfs/dbraw/zinc/88/65/04/327886504.db2.gz DLSPBRFNDUIKFR-AWEZNQCLSA-N 2 0 280.416 -0.023 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000563116116 327925818 /nfs/dbraw/zinc/92/58/18/327925818.db2.gz ZIUDNWASYXTLMU-NXEZZACHSA-N 2 0 279.344 -0.795 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000563102347 327924583 /nfs/dbraw/zinc/92/45/83/327924583.db2.gz UWHZUFYYCWPWJF-WDEREUQCSA-N 2 0 280.376 -0.257 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000563115777 327926343 /nfs/dbraw/zinc/92/63/43/327926343.db2.gz MUGCYFRMIXRUFB-GXTWGEPZSA-N 2 0 275.352 -0.022 20 0 CBADRP Nc1cc[nH+]cc1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000563162180 327940740 /nfs/dbraw/zinc/94/07/40/327940740.db2.gz JDKSSFSCCUHMDA-SECBINFHSA-N 2 0 250.302 -0.398 20 0 CBADRP CC[NH+]1CCN(CC(=O)N(C)[C@H](C[NH3+])C2CC2)CC1 ZINC000571050125 327986290 /nfs/dbraw/zinc/98/62/90/327986290.db2.gz NRJSVDMLPBKCGR-CYBMUJFWSA-N 2 0 268.405 -0.180 20 0 CBADRP C[C@@H](C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)N1CCN(C)CC1 ZINC000575315745 335092633 /nfs/dbraw/zinc/09/26/33/335092633.db2.gz BFYULEMUWXQBTK-AVGNSLFASA-N 2 0 268.405 -0.169 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000563397108 328061941 /nfs/dbraw/zinc/06/19/41/328061941.db2.gz ZMGBUKWADNPMRQ-KBPBESRZSA-N 2 0 298.431 -0.853 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000567377053 328064520 /nfs/dbraw/zinc/06/45/20/328064520.db2.gz LWRUOTULJPMAOD-ZDUSSCGKSA-N 2 0 290.367 -0.896 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000563451719 328066306 /nfs/dbraw/zinc/06/63/06/328066306.db2.gz MJTUVLCYPWNMCO-RHYQMDGZSA-N 2 0 295.387 -0.933 20 0 CBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)C3([NH2+]C4CC4)CCC3)CCN2C1=O ZINC000563441532 328066447 /nfs/dbraw/zinc/06/64/47/328066447.db2.gz MBYBDMFSBXQIAE-NEPJUHHUSA-N 2 0 292.383 -0.569 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000563457597 328067770 /nfs/dbraw/zinc/06/77/70/328067770.db2.gz NECUSVYBHPXDDV-CHWSQXEVSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563582946 328074563 /nfs/dbraw/zinc/07/45/63/328074563.db2.gz SBYSSMFYESNWIC-BXUZGUMPSA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563582948 328074778 /nfs/dbraw/zinc/07/47/78/328074778.db2.gz SBYSSMFYESNWIC-RISCZKNCSA-N 2 0 282.388 -0.558 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000563588260 328075168 /nfs/dbraw/zinc/07/51/68/328075168.db2.gz UTTMVIAMTFKFFL-LSDHHAIUSA-N 2 0 290.411 -0.034 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000563597506 328076087 /nfs/dbraw/zinc/07/60/87/328076087.db2.gz XSKWOPKYIXYZCX-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000571149650 328088191 /nfs/dbraw/zinc/08/81/91/328088191.db2.gz MZDPUEWZLKNUGQ-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000571164674 328089812 /nfs/dbraw/zinc/08/98/12/328089812.db2.gz VDJQRNYSRZRGHN-HIFRSBDPSA-N 2 0 297.399 -0.280 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000571283968 328097789 /nfs/dbraw/zinc/09/77/89/328097789.db2.gz JQBTWOURADSYPQ-IJLUTSLNSA-N 2 0 284.404 -0.171 20 0 CBADRP CO[C@H](C[NH3+])C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000571401112 328119075 /nfs/dbraw/zinc/11/90/75/328119075.db2.gz POKVQZOVQXLSRH-POYBYMJQSA-N 2 0 270.358 -0.129 20 0 CBADRP CC(C)([NH3+])CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000571439716 328122157 /nfs/dbraw/zinc/12/21/57/328122157.db2.gz KLYHDZNATZLIED-VIFPVBQESA-N 2 0 266.349 -0.503 20 0 CBADRP COCCN(C)C[C@@H](O)C[N@H+](CCO)C1CCOCC1 ZINC000571533373 328132206 /nfs/dbraw/zinc/13/22/06/328132206.db2.gz PETDVENLEDWUSV-CQSZACIVSA-N 2 0 290.404 -0.601 20 0 CBADRP CNC(=O)NC(=O)CC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000571642438 328170953 /nfs/dbraw/zinc/17/09/53/328170953.db2.gz MRIGPLHUNUTDOW-YPMHNXCESA-N 2 0 298.387 -0.340 20 0 CBADRP CC[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)OC ZINC000582960369 329290092 /nfs/dbraw/zinc/29/00/92/329290092.db2.gz OGRNQGXPZKUTLU-OLZOCXBDSA-N 2 0 259.394 -0.391 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@H]([NH+](C)C)C1 ZINC000388787991 328303494 /nfs/dbraw/zinc/30/34/94/328303494.db2.gz NVCIURFNNJKWJK-UONOGXRCSA-N 2 0 273.421 -0.049 20 0 CBADRP C[C@@H]1CN(C(=O)COC2CC[NH2+]CC2)[C@H](C)C[NH2+]1 ZINC000583497821 328584840 /nfs/dbraw/zinc/58/48/40/328584840.db2.gz JVBBVFDYBOENQS-GHMZBOCLSA-N 2 0 255.362 -0.036 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000583995303 326835467 /nfs/dbraw/zinc/83/54/67/326835467.db2.gz DBLJTAFGTUNYCT-QJPTWQEYSA-N 2 0 253.346 -0.425 20 0 CBADRP CC[NH+]1CCC(CNC(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000557140436 326994529 /nfs/dbraw/zinc/99/45/29/326994529.db2.gz IVAAPXYEEHDSRL-AWEZNQCLSA-N 2 0 297.447 -0.079 20 0 CBADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000557297247 327000622 /nfs/dbraw/zinc/00/06/22/327000622.db2.gz BCEPSUJIWFZRDU-UHFFFAOYSA-N 2 0 298.431 -0.099 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000576104318 327016960 /nfs/dbraw/zinc/01/69/60/327016960.db2.gz BEDAPRUEPPRPRU-UONOGXRCSA-N 2 0 298.431 -0.411 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H](CO)CC(C)(C)C)CC1 ZINC000576755616 327039355 /nfs/dbraw/zinc/03/93/55/327039355.db2.gz SOVQURSQEQONAT-UONOGXRCSA-N 2 0 287.448 -0.019 20 0 CBADRP CC1(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000584230890 327070593 /nfs/dbraw/zinc/07/05/93/327070593.db2.gz GTRKJZWMOKQUNS-GFCCVEGCSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000564450563 327099467 /nfs/dbraw/zinc/09/94/67/327099467.db2.gz KELXESQTEMAFIQ-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1([NH3+])CCC1 ZINC000564897750 327118601 /nfs/dbraw/zinc/11/86/01/327118601.db2.gz QDVIQECUDVTKTE-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)C[C@@H]1C[NH3+] ZINC000566090606 327131967 /nfs/dbraw/zinc/13/19/67/327131967.db2.gz ALNSNGFZNGXRGR-STQMWFEESA-N 2 0 298.431 -0.160 20 0 CBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000564923122 327149626 /nfs/dbraw/zinc/14/96/26/327149626.db2.gz LAJZHNYSSBAARO-RWMBFGLXSA-N 2 0 287.379 -0.105 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000566178605 327157673 /nfs/dbraw/zinc/15/76/73/327157673.db2.gz BDAVUKKBXKWZBO-RYUDHWBXSA-N 2 0 273.377 -0.831 20 0 CBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)COC3CC[NH2+]CC3)C[C@H]12 ZINC000564931809 327161281 /nfs/dbraw/zinc/16/12/81/327161281.db2.gz UNOPODCMBRXESQ-WCFLWFBJSA-N 2 0 267.373 -0.049 20 0 CBADRP O=C(CC[C@H]1CC[NH2+]C1)NC[C@@H]1C[NH2+]CCCO1 ZINC000569483227 327184183 /nfs/dbraw/zinc/18/41/83/327184183.db2.gz LRFWCXOSEDGETO-RYUDHWBXSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(CC[C@H]1CC[NH2+]C1)NC[C@H]1C[NH2+]CCCO1 ZINC000569483226 327184286 /nfs/dbraw/zinc/18/42/86/327184286.db2.gz LRFWCXOSEDGETO-NWDGAFQWSA-N 2 0 255.362 -0.129 20 0 CBADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000584299796 327229897 /nfs/dbraw/zinc/22/98/97/327229897.db2.gz VRMXRGGELIWTAR-DYEKYZERSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000564658885 327244729 /nfs/dbraw/zinc/24/47/29/327244729.db2.gz LGTUBFYONYMVEI-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000564658883 327244742 /nfs/dbraw/zinc/24/47/42/327244742.db2.gz LGTUBFYONYMVEI-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP [NH3+][C@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)C1CCC1 ZINC000564943646 327246859 /nfs/dbraw/zinc/24/68/59/327246859.db2.gz FJPZCGVAWJJDBP-VIFPVBQESA-N 2 0 279.348 -0.720 20 0 CBADRP CN1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)[C@H](C[NH3+])C1 ZINC000564944440 327247331 /nfs/dbraw/zinc/24/73/31/327247331.db2.gz PXKIWVSFLWGTNU-WDEREUQCSA-N 2 0 292.387 -0.799 20 0 CBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000573786871 327257344 /nfs/dbraw/zinc/25/73/44/327257344.db2.gz RLJIGJNKLOXEPD-MQYQWHSLSA-N 2 0 296.415 -0.044 20 0 CBADRP C[C@@H]1CN(C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H](C)[NH2+]1 ZINC000564969598 327290180 /nfs/dbraw/zinc/29/01/80/327290180.db2.gz VEHYTKCJDCSYDA-JHJVBQTASA-N 2 0 268.405 -0.134 20 0 CBADRP [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000574167144 327296585 /nfs/dbraw/zinc/29/65/85/327296585.db2.gz ACCXUMABALZKSD-PCQVFGIUSA-N 2 0 253.346 -0.561 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CCC[C@@H]2O)CC1 ZINC000564976442 327303881 /nfs/dbraw/zinc/30/38/81/327303881.db2.gz UYVBGCBQUGLZEL-RDBSUJKOSA-N 2 0 271.405 -0.655 20 0 CBADRP O=C(CCN1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1 ZINC000574519647 327342103 /nfs/dbraw/zinc/34/21/03/327342103.db2.gz XWQVSRIHKKTMCW-OLZOCXBDSA-N 2 0 266.389 -0.365 20 0 CBADRP C[NH+](C)[C@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)C[C@@H]1O ZINC000566426186 327359349 /nfs/dbraw/zinc/35/93/49/327359349.db2.gz PEZJSGXWHVLSCV-AVGNSLFASA-N 2 0 257.378 -0.952 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000574771944 327377662 /nfs/dbraw/zinc/37/76/62/327377662.db2.gz YRXNSVBUDDZWTM-UTUOFQBUSA-N 2 0 297.403 -0.720 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000561300913 327383705 /nfs/dbraw/zinc/38/37/05/327383705.db2.gz GWAHWEJIKLZHEM-UHFFFAOYSA-N 2 0 286.420 -0.193 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566497211 327399628 /nfs/dbraw/zinc/39/96/28/327399628.db2.gz XZAWKCTVFFXOLV-RWMBFGLXSA-N 2 0 294.399 -0.369 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000562829594 327518180 /nfs/dbraw/zinc/51/81/80/327518180.db2.gz URFYCHDGANKLHW-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)O1 ZINC000569844497 327551663 /nfs/dbraw/zinc/55/16/63/327551663.db2.gz CUPJKIFYIZLYKN-XQHKEYJVSA-N 2 0 267.373 -0.049 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000569865840 327552610 /nfs/dbraw/zinc/55/26/10/327552610.db2.gz SZWNDTCCSGYHHP-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP CCCN(C(=O)c1cn(CCC[NH3+])nn1)[C@@H]1CC[NH2+]C1 ZINC000570079881 327567266 /nfs/dbraw/zinc/56/72/66/327567266.db2.gz UYZGSGZYXYNJGH-LLVKDONJSA-N 2 0 280.376 -0.159 20 0 CBADRP COC[C@@]1(CNC(=O)C[C@H](C[NH3+])OC)CCC[NH2+]1 ZINC000570091182 327568308 /nfs/dbraw/zinc/56/83/08/327568308.db2.gz CPKPAUOSMDZJSF-PWSUYJOCSA-N 2 0 259.350 -0.765 20 0 CBADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000570272430 327579826 /nfs/dbraw/zinc/57/98/26/327579826.db2.gz CIQVENZLTBHSDN-FVQBIDKESA-N 2 0 296.459 -0.333 20 0 CBADRP CC(C)[NH2+]CCC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000570329446 327583718 /nfs/dbraw/zinc/58/37/18/327583718.db2.gz JZUWNQOZYCYVCA-CYBMUJFWSA-N 2 0 268.405 -0.119 20 0 CBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C2(C)C[NH2+]C2)CC1 ZINC000572758329 327586329 /nfs/dbraw/zinc/58/63/29/327586329.db2.gz HAQMJKUIQYNVPL-UHFFFAOYSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000570395167 327587566 /nfs/dbraw/zinc/58/75/66/327587566.db2.gz GERVOUWUHRELTF-GRYCIOLGSA-N 2 0 282.388 -0.702 20 0 CBADRP CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000582239073 328843817 /nfs/dbraw/zinc/84/38/17/328843817.db2.gz KRADBZGBDCCTRU-UTUOFQBUSA-N 2 0 255.362 -0.457 20 0 CBADRP C[C@H](NC(=O)C[C@H]1COCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000582296077 328952453 /nfs/dbraw/zinc/95/24/53/328952453.db2.gz ODFNSKWFGHEMDZ-SRVKXCTJSA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH+](C)CC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000582300342 328954167 /nfs/dbraw/zinc/95/41/67/328954167.db2.gz XUADNHQSXMAIMY-GFCCVEGCSA-N 2 0 282.388 -0.782 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000582300429 328954199 /nfs/dbraw/zinc/95/41/99/328954199.db2.gz FIEOUCRONUTBIE-QWRGUYRKSA-N 2 0 280.376 -0.113 20 0 CBADRP C[N@H+](C[C@@H](O)CNCC(=O)NCC1CC1)C1CC1 ZINC000393071824 329066687 /nfs/dbraw/zinc/06/66/87/329066687.db2.gz MSKSPOAKPNWFCB-LBPRGKRZSA-N 2 0 255.362 -0.443 20 0 CBADRP COCCN(C)C[C@@H](O)C[NH2+][C@@H](CO)C(C)(C)C ZINC000393967024 329097923 /nfs/dbraw/zinc/09/79/23/329097923.db2.gz RGEYJLCNIBOBEM-RYUDHWBXSA-N 2 0 262.394 -0.078 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN(C)CCC[NH+]1CCN(C)CC1 ZINC000582495023 329100462 /nfs/dbraw/zinc/10/04/62/329100462.db2.gz SYDZNWJGRDUZBY-OAHLLOKOSA-N 3 0 286.464 -0.132 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000582545089 329104889 /nfs/dbraw/zinc/10/48/89/329104889.db2.gz LSTJBQRKIKBRHB-CYBMUJFWSA-N 2 0 268.405 -0.133 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000582720614 329130074 /nfs/dbraw/zinc/13/00/74/329130074.db2.gz ZKPGZUDGOKJHOV-XQQFMLRXSA-N 2 0 263.341 -0.168 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000582784707 329196319 /nfs/dbraw/zinc/19/63/19/329196319.db2.gz QASFEVDVARIESQ-NSHDSACASA-N 2 0 269.345 -0.427 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)c1csc(CN)n1 ZINC000582844965 329277509 /nfs/dbraw/zinc/27/75/09/329277509.db2.gz VWNXCWPPGSIDRL-MRVPVSSYSA-N 2 0 269.374 -0.765 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000582916565 329288608 /nfs/dbraw/zinc/28/86/08/329288608.db2.gz VRYZJRJFHRSDID-UHFFFAOYSA-N 2 0 256.350 -0.996 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCN3CC[NH2+]CC3)C[C@@H]21 ZINC000583084310 329311953 /nfs/dbraw/zinc/31/19/53/329311953.db2.gz LXOPWGPBSRQXJH-MELADBBJSA-N 2 0 252.406 -0.049 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000583202220 329361541 /nfs/dbraw/zinc/36/15/41/329361541.db2.gz HNLOKANVYCQAHC-QJPTWQEYSA-N 2 0 253.346 -0.425 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000399045809 329447744 /nfs/dbraw/zinc/44/77/44/329447744.db2.gz SMXCMVILZDTEEA-LBPRGKRZSA-N 2 0 254.378 -0.523 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000583813253 329482039 /nfs/dbraw/zinc/48/20/39/329482039.db2.gz GXKPDCGJBDSLAS-KOLCDFICSA-N 2 0 256.350 -0.964 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000584530569 329514001 /nfs/dbraw/zinc/51/40/01/329514001.db2.gz AIHJCUXKPWEYRG-NXEZZACHSA-N 2 0 257.334 -0.537 20 0 CBADRP CC(C)OCCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000564076485 329666812 /nfs/dbraw/zinc/66/68/12/329666812.db2.gz BMWRYYOXAAAVPB-CQSZACIVSA-N 2 0 273.421 -0.001 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)C[C@H]21 ZINC000571882944 329927987 /nfs/dbraw/zinc/92/79/87/329927987.db2.gz IZSPTEOJPXYIGV-PREPNJAASA-N 2 0 253.346 -0.705 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000572003175 329936421 /nfs/dbraw/zinc/93/64/21/329936421.db2.gz QGLXMEBDJRBZCP-NSHDSACASA-N 2 0 255.362 -0.169 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCC[C@H]1CCC[NH2+]1 ZINC000572036348 329939315 /nfs/dbraw/zinc/93/93/15/329939315.db2.gz MZTCVMUTQYIXEP-VXGBXAGGSA-N 2 0 282.388 -0.497 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000572252790 329960726 /nfs/dbraw/zinc/96/07/26/329960726.db2.gz UXZRMCDJWNXHET-AWEZNQCLSA-N 2 0 299.415 -0.018 20 0 CBADRP COC[C@]1(CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)CCC[NH2+]1 ZINC000572361841 330002242 /nfs/dbraw/zinc/00/22/42/330002242.db2.gz BFPSZOXUCALBQX-KWCYVHTRSA-N 2 0 267.373 -0.129 20 0 CBADRP CC[C@@H]([NH3+])C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000572361961 330002428 /nfs/dbraw/zinc/00/24/28/330002428.db2.gz LKVSGCQYHYPHQD-RKDXNWHRSA-N 2 0 282.310 -0.324 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000572406116 330064017 /nfs/dbraw/zinc/06/40/17/330064017.db2.gz FFSKWLKSCMFHDY-QWRGUYRKSA-N 2 0 284.404 -0.266 20 0 CBADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000572406114 330064097 /nfs/dbraw/zinc/06/40/97/330064097.db2.gz FFSKWLKSCMFHDY-GHMZBOCLSA-N 2 0 284.404 -0.266 20 0 CBADRP CN1CCN(C(=O)CN2CCCCCC2=O)[C@H](C[NH3+])C1 ZINC000575399529 335100313 /nfs/dbraw/zinc/10/03/13/335100313.db2.gz FIWQEKJIUAQVAV-GFCCVEGCSA-N 2 0 282.388 -0.510 20 0 CBADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)CC(C)C ZINC000580533490 335107656 /nfs/dbraw/zinc/10/76/56/335107656.db2.gz QQDXQJRAZVIPNA-CYBMUJFWSA-N 2 0 298.431 -0.053 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C[C@@H]3CCCC[C@H]3[NH3+])CCN2C1=O ZINC000575762806 335113116 /nfs/dbraw/zinc/11/31/16/335113116.db2.gz GWSRDKQZPUQWNY-UMSGYPCISA-N 2 0 294.399 -0.336 20 0 CBADRP CC(C)[NH2+]CCC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000575865887 335125498 /nfs/dbraw/zinc/12/54/98/335125498.db2.gz YSWKHXLAMHSRAT-LBPRGKRZSA-N 2 0 284.404 -0.170 20 0 CBADRP COC(C)(C)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000575981581 335137683 /nfs/dbraw/zinc/13/76/83/335137683.db2.gz SRAMXAOKUFLHGT-GFCCVEGCSA-N 2 0 259.394 -0.391 20 0 CBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000575989495 335139204 /nfs/dbraw/zinc/13/92/04/335139204.db2.gz KTPLQZYOVKMZNP-ZYHUDNBSSA-N 2 0 292.387 -0.100 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000576092316 335152055 /nfs/dbraw/zinc/15/20/55/335152055.db2.gz HLMXRUPAASQVGR-IJLUTSLNSA-N 2 0 254.378 -0.606 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](C)C[C@H]1C ZINC000311179754 334038247 /nfs/dbraw/zinc/03/82/47/334038247.db2.gz XXYWVCMYBPGYFS-OLZOCXBDSA-N 2 0 259.394 -0.439 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000564328816 334111545 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CC(C)([NH3+])C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000565656367 334584951 /nfs/dbraw/zinc/58/49/51/334584951.db2.gz NBLWPKJBRIXBLR-VIFPVBQESA-N 2 0 256.350 -0.963 20 0 CBADRP CO[C@@H]1CCN(C(=O)[C@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000566099094 334622167 /nfs/dbraw/zinc/62/21/67/334622167.db2.gz HJCSCFKLVATERF-SDDRHHMPSA-N 2 0 255.362 -0.049 20 0 CBADRP CO[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000566099091 334622217 /nfs/dbraw/zinc/62/22/17/334622217.db2.gz HJCSCFKLVATERF-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000566188015 334633826 /nfs/dbraw/zinc/63/38/26/334633826.db2.gz AXLPPERENKTBTN-MNOVXSKESA-N 2 0 268.361 -0.935 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000566296076 334641198 /nfs/dbraw/zinc/64/11/98/334641198.db2.gz OUHDRAFXKMHLPO-MELADBBJSA-N 2 0 298.431 -0.495 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1[NH2+]CCc2ccccc21 ZINC000566551307 334654904 /nfs/dbraw/zinc/65/49/04/334654904.db2.gz OPDQQEGZFBFMOP-OCCSQVGLSA-N 2 0 275.352 -0.022 20 0 CBADRP C[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000566679132 334660135 /nfs/dbraw/zinc/66/01/35/334660135.db2.gz ONGMJEITKVIHAB-MRVPVSSYSA-N 2 0 286.357 -0.791 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000566854339 334667174 /nfs/dbraw/zinc/66/71/74/334667174.db2.gz IKIQBYSITWEWSV-UWVGGRQHSA-N 2 0 256.350 -0.902 20 0 CBADRP C[C@@](C[NH3+])(NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C1CC1 ZINC000566859358 334667377 /nfs/dbraw/zinc/66/73/77/334667377.db2.gz VHFGWSVADZQOKA-RISCZKNCSA-N 2 0 292.387 -0.113 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000567383062 334711300 /nfs/dbraw/zinc/71/13/00/334711300.db2.gz JQGLYOUTZILRMH-JTQLQIEISA-N 2 0 257.334 -0.521 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000567501484 334726374 /nfs/dbraw/zinc/72/63/74/334726374.db2.gz WSBKOSYYBXGSJU-GHMZBOCLSA-N 2 0 293.371 -0.405 20 0 CBADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)[C@H]1C ZINC000567639458 334744995 /nfs/dbraw/zinc/74/49/95/334744995.db2.gz PQROUADSDOOQEL-RWMBFGLXSA-N 2 0 297.399 -0.014 20 0 CBADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000568267880 334810666 /nfs/dbraw/zinc/81/06/66/334810666.db2.gz NWACLHHXCOHABE-CYDGBPFRSA-N 2 0 294.399 -0.609 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000568267711 334810835 /nfs/dbraw/zinc/81/08/35/334810835.db2.gz LONQKSREJCTVAB-GMTAPVOTSA-N 2 0 268.361 -0.855 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000568383897 334821412 /nfs/dbraw/zinc/82/14/12/334821412.db2.gz NYIFYQYYCIKLDP-NOOOWODRSA-N 2 0 253.346 -0.569 20 0 CBADRP CC(C)(CCC[NH3+])NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000568885631 334845274 /nfs/dbraw/zinc/84/52/74/334845274.db2.gz KWTNRDWFUQAPKZ-NSHDSACASA-N 2 0 284.404 -0.122 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000569220766 334861908 /nfs/dbraw/zinc/86/19/08/334861908.db2.gz DCGAOTYHIOEYGP-FRRDWIJNSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000572638838 334868550 /nfs/dbraw/zinc/86/85/50/334868550.db2.gz DARZVVYLRXRTKE-YNEHKIRRSA-N 2 0 266.389 -0.510 20 0 CBADRP CC(C)([NH3+])C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000572716534 334873551 /nfs/dbraw/zinc/87/35/51/334873551.db2.gz XDAISQOEJQHUNU-RYUDHWBXSA-N 2 0 296.415 -0.170 20 0 CBADRP CC(C)([NH3+])C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000572716532 334873612 /nfs/dbraw/zinc/87/36/12/334873612.db2.gz XDAISQOEJQHUNU-NEPJUHHUSA-N 2 0 296.415 -0.170 20 0 CBADRP COC[C@]1(CNC(=O)[C@H]([NH3+])C2CCC2)CCC[NH2+]1 ZINC000572760513 334876217 /nfs/dbraw/zinc/87/62/17/334876217.db2.gz UAFYDFVSYZSJRB-DGCLKSJQSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCN2C)[C@H](C)C[NH2+]1 ZINC000576374238 335196113 /nfs/dbraw/zinc/19/61/13/335196113.db2.gz VNCDZBKVDQYTKA-UTUOFQBUSA-N 2 0 269.393 -0.718 20 0 CBADRP CO[C@@H]1CCC[C@@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000576391225 335197323 /nfs/dbraw/zinc/19/73/23/335197323.db2.gz QJLGAJRHQAYLPJ-QLFBSQMISA-N 2 0 285.432 -0.001 20 0 CBADRP C1C[C@@H]([C@@H]2COCC[NH2+]2)[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000576399515 335198979 /nfs/dbraw/zinc/19/89/79/335198979.db2.gz MUEVPHQCOWDXRZ-BSOLPCOYSA-N 3 0 251.374 -0.049 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000576465332 335207248 /nfs/dbraw/zinc/20/72/48/335207248.db2.gz DGNWVXFTMQHZPE-GARJFASQSA-N 2 0 269.345 -0.619 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000576480853 335210417 /nfs/dbraw/zinc/21/04/17/335210417.db2.gz WMZGWODCMAIZPC-NSHDSACASA-N 2 0 272.393 -0.360 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000576517710 335213631 /nfs/dbraw/zinc/21/36/31/335213631.db2.gz UZNXMHHGZXOLLK-MEWQQHAOSA-N 2 0 275.356 -0.245 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000576634779 335228461 /nfs/dbraw/zinc/22/84/61/335228461.db2.gz HZBFJTWBSWQTIY-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000576635258 335228654 /nfs/dbraw/zinc/22/86/54/335228654.db2.gz MOLGKMMSUSJDCQ-UWVGGRQHSA-N 2 0 263.345 -0.080 20 0 CBADRP C[NH2+]CCC1CC[NH+](CC(=O)NCCC(=O)OC)CC1 ZINC000576636560 335228884 /nfs/dbraw/zinc/22/88/84/335228884.db2.gz BZMVEPFJGCMQST-UHFFFAOYSA-N 2 0 285.388 -0.013 20 0 CBADRP [NH3+]CCC1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000576644695 335230237 /nfs/dbraw/zinc/23/02/37/335230237.db2.gz QCXHKTGVLJNPBZ-LBPRGKRZSA-N 2 0 282.388 -0.558 20 0 CBADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000576703834 335237331 /nfs/dbraw/zinc/23/73/31/335237331.db2.gz SVIIFYSSEBDWJA-NWDGAFQWSA-N 2 0 291.355 -0.848 20 0 CBADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000576730484 335241117 /nfs/dbraw/zinc/24/11/17/335241117.db2.gz XIWRNACIHSQEKY-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@H](C)NC(=O)CCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000576807512 335249683 /nfs/dbraw/zinc/24/96/83/335249683.db2.gz ZHGIZZVZJARXJH-RYUDHWBXSA-N 2 0 299.419 -0.425 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000576863479 335256886 /nfs/dbraw/zinc/25/68/86/335256886.db2.gz KMQDETZXDARYAI-CMPLNLGQSA-N 2 0 253.346 -0.282 20 0 CBADRP C[NH2+]C[C@@](C)(O)CN1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000576999367 335276067 /nfs/dbraw/zinc/27/60/67/335276067.db2.gz WDCSSRUBPVJAHR-ZWNOBZJWSA-N 2 0 297.359 -0.718 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)CN2CCNCC2=O)CC[N@@H+]1C ZINC000580560467 335281062 /nfs/dbraw/zinc/28/10/62/335281062.db2.gz HIYIAFSDOMRKRS-GHMZBOCLSA-N 2 0 268.361 -0.983 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N2CCN(C)C[C@H]2C[NH3+])CC[NH2+]1 ZINC000580561843 335281851 /nfs/dbraw/zinc/28/18/51/335281851.db2.gz ZSPVVPKYYAQMDM-SDDRHHMPSA-N 2 0 254.378 -0.524 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000577047882 335289558 /nfs/dbraw/zinc/28/95/58/335289558.db2.gz XWFNOZJEDXNZHE-CQSZACIVSA-N 2 0 295.431 -0.230 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000577060029 335293012 /nfs/dbraw/zinc/29/30/12/335293012.db2.gz FYHHJSYGWTYSTC-CHWSQXEVSA-N 2 0 296.415 -0.488 20 0 CBADRP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000577062360 335293557 /nfs/dbraw/zinc/29/35/57/335293557.db2.gz HOAIRPAMXMIYFR-LLVKDONJSA-N 2 0 271.361 -0.274 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000580647003 335310675 /nfs/dbraw/zinc/31/06/75/335310675.db2.gz VNIIJTJBJVXYQE-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)C1C[NH2+]C1 ZINC000577219882 335325050 /nfs/dbraw/zinc/32/50/50/335325050.db2.gz HUGGLPVREOLQRF-MRVPVSSYSA-N 2 0 279.348 -0.992 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000577493894 335358937 /nfs/dbraw/zinc/35/89/37/335358937.db2.gz HDLVLJVTDFRXQE-LOWDOPEQSA-N 2 0 283.372 -0.705 20 0 CBADRP C[N@H+](CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C1CC1 ZINC000577509815 335362529 /nfs/dbraw/zinc/36/25/29/335362529.db2.gz UDBBQGRPVCLKCV-RYUDHWBXSA-N 2 0 295.387 -0.966 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)NCC1=CC[NH2+]CC1 ZINC000577601563 335376190 /nfs/dbraw/zinc/37/61/90/335376190.db2.gz VOZQGUQIWXSVRE-LBPRGKRZSA-N 2 0 253.346 -0.209 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000577726780 335392926 /nfs/dbraw/zinc/39/29/26/335392926.db2.gz GSKSZOBTWKECAO-NWDGAFQWSA-N 2 0 268.405 -0.121 20 0 CBADRP O=C(NC1C[NH2+]C1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000577833360 335408226 /nfs/dbraw/zinc/40/82/26/335408226.db2.gz CETYZXFUNWHYHB-UHFFFAOYSA-N 2 0 294.399 -0.449 20 0 CBADRP C[NH2+]CCCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000577848338 335410801 /nfs/dbraw/zinc/41/08/01/335410801.db2.gz PPUNWBAJNHBHJM-JTQLQIEISA-N 2 0 266.349 -0.631 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000577866599 335414451 /nfs/dbraw/zinc/41/44/51/335414451.db2.gz WLMPFEZRXVERSG-CYBMUJFWSA-N 2 0 287.404 -0.569 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000577866600 335414576 /nfs/dbraw/zinc/41/45/76/335414576.db2.gz WLMPFEZRXVERSG-ZDUSSCGKSA-N 2 0 287.404 -0.569 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000578191454 335550800 /nfs/dbraw/zinc/55/08/00/335550800.db2.gz NTPVRQVQZJFGIG-NXEZZACHSA-N 2 0 266.349 -0.645 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000578352323 335618039 /nfs/dbraw/zinc/61/80/39/335618039.db2.gz SJVJDNMYVFAEQL-NWDGAFQWSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000578507463 335642704 /nfs/dbraw/zinc/64/27/04/335642704.db2.gz RUFWTDCDQAOMBM-GHMZBOCLSA-N 2 0 296.415 -0.029 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000578509025 335642793 /nfs/dbraw/zinc/64/27/93/335642793.db2.gz OQJCLVCRANGJHO-QJPTWQEYSA-N 2 0 255.362 -0.049 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000578521927 335644931 /nfs/dbraw/zinc/64/49/31/335644931.db2.gz SMXXSEWJLXLZIR-WISYIIOYSA-N 2 0 255.362 -0.132 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCCC[NH2+]3)CCN2C1=O ZINC000578767410 335672786 /nfs/dbraw/zinc/67/27/86/335672786.db2.gz UILONALXMVBSMM-UTUOFQBUSA-N 2 0 280.372 -0.711 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000579005084 335699285 /nfs/dbraw/zinc/69/92/85/335699285.db2.gz BJZIONHRGORGQG-IJLUTSLNSA-N 2 0 292.387 -0.113 20 0 CBADRP CC[C@]1(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CCC[NH2+]1 ZINC000579025979 335702330 /nfs/dbraw/zinc/70/23/30/335702330.db2.gz OOTQWHAXLCTXDH-JTNHKYCSSA-N 2 0 280.372 -0.711 20 0 CBADRP CC(C)(CC[NH3+])NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000579233299 335724722 /nfs/dbraw/zinc/72/47/22/335724722.db2.gz FEINNITXKGKYOH-JTQLQIEISA-N 2 0 280.376 -0.113 20 0 CBADRP C[C@H]1CCN(C(=O)c2cn(CCC[NH3+])nn2)C[C@H]1C[NH3+] ZINC000579353273 335738202 /nfs/dbraw/zinc/73/82/02/335738202.db2.gz WWKMSWGGMTYSRV-WDEREUQCSA-N 2 0 280.376 -0.316 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000579948742 335934242 /nfs/dbraw/zinc/93/42/42/335934242.db2.gz WRABJFSANNHHOY-MELADBBJSA-N 2 0 299.415 -0.428 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000193669043 335983115 /nfs/dbraw/zinc/98/31/15/335983115.db2.gz RWJMLHAOIKMSRJ-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H]2C[NH2+]CCN2C)C1(C)C ZINC000581011441 335996301 /nfs/dbraw/zinc/99/63/01/335996301.db2.gz QRUNANVPLOZDAA-JMSVASOKSA-N 2 0 298.431 -0.461 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000581072597 336004328 /nfs/dbraw/zinc/00/43/28/336004328.db2.gz XHGVYSNYUKETAK-YPMHNXCESA-N 2 0 252.362 -0.850 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000581250108 336031699 /nfs/dbraw/zinc/03/16/99/336031699.db2.gz YTPOGXTWIRKAFO-SNVBAGLBSA-N 2 0 268.365 -0.255 20 0 CBADRP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000381057471 336047404 /nfs/dbraw/zinc/04/74/04/336047404.db2.gz UHGOBESFQOANEZ-LPEHRKFASA-N 2 0 254.334 -0.499 20 0 CBADRP COC(=O)CC[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000581370578 336063014 /nfs/dbraw/zinc/06/30/14/336063014.db2.gz DEDCEXGFXWCZLO-AWEZNQCLSA-N 2 0 299.415 -0.064 20 0 CBADRP C[C@]1(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CCCC[NH2+]1 ZINC000581381122 336065743 /nfs/dbraw/zinc/06/57/43/336065743.db2.gz RAPVUFLIKLNUQC-COPLHBTASA-N 2 0 280.372 -0.711 20 0 CBADRP CCNC(=O)CN1CCCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000581498733 336090496 /nfs/dbraw/zinc/09/04/96/336090496.db2.gz IOUIMRXLHGOOPB-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000382974060 336100460 /nfs/dbraw/zinc/10/04/60/336100460.db2.gz SAPZSLYSBCIZPI-LBPRGKRZSA-N 2 0 268.405 -0.119 20 0 CBADRP COC1(C(=O)N2CC[NH2+]C(C)(C)C2)CC[NH2+]CC1 ZINC000581727203 336138538 /nfs/dbraw/zinc/13/85/38/336138538.db2.gz PQEGDDFJOAYJHY-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000581822958 336147368 /nfs/dbraw/zinc/14/73/68/336147368.db2.gz YZSCHHKQZJYDIU-MCIONIFRSA-N 2 0 280.416 -0.119 20 0 CBADRP C[NH2+]CCC1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000581823509 336147618 /nfs/dbraw/zinc/14/76/18/336147618.db2.gz LWNJCFFEYVWNEK-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000581882359 336158758 /nfs/dbraw/zinc/15/87/58/336158758.db2.gz QKZNVECAAYPAAJ-VXGBXAGGSA-N 2 0 255.362 -0.096 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000581882782 336158801 /nfs/dbraw/zinc/15/88/01/336158801.db2.gz NXSFUJTXHIOCKP-RISCZKNCSA-N 2 0 280.372 -0.933 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000567716807 517641231 /nfs/dbraw/zinc/64/12/31/517641231.db2.gz HBTJKEMRPIVKOK-LLVKDONJSA-N 2 0 268.361 -0.983 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000354694008 534426501 /nfs/dbraw/zinc/42/65/01/534426501.db2.gz PSTGQGIQYXMZBW-WCQYABFASA-N 2 0 294.399 -0.402 20 0 CBADRP CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221174808 519739148 /nfs/dbraw/zinc/73/91/48/519739148.db2.gz YAQGEFUHESKOGI-CHWSQXEVSA-N 2 0 298.431 -0.066 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000220941382 521631199 /nfs/dbraw/zinc/63/11/99/521631199.db2.gz QBFASUNBUKHKGP-UTUOFQBUSA-N 2 0 255.362 -0.348 20 0 CBADRP C[NH+]1CCC(CCNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000157229876 523759821 /nfs/dbraw/zinc/75/98/21/523759821.db2.gz JENAKCVGYGQAMB-GFCCVEGCSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000049557257 524475057 /nfs/dbraw/zinc/47/50/57/524475057.db2.gz UFADBTMQKHIKOR-QWHCGFSZSA-N 2 0 259.394 -0.391 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377529902 528087136 /nfs/dbraw/zinc/08/71/36/528087136.db2.gz JLLVBIFZTDLEJO-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](C)C[NH3+])CC1 ZINC000357229897 535726674 /nfs/dbraw/zinc/72/66/74/535726674.db2.gz WHIJOWCRNWPARA-RYUDHWBXSA-N 2 0 256.394 -0.277 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000357172452 536790754 /nfs/dbraw/zinc/79/07/54/536790754.db2.gz HOGHLWCSUBSXRQ-NSHDSACASA-N 2 0 257.378 -0.074 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000357172451 536791118 /nfs/dbraw/zinc/79/11/18/536791118.db2.gz HOGHLWCSUBSXRQ-LLVKDONJSA-N 2 0 257.378 -0.074 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000111758140 582115521 /nfs/dbraw/zinc/11/55/21/582115521.db2.gz TVXDREPYCJPVOA-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(COC1CC[NH2+]CC1)NCC[NH+]1CCCC1 ZINC000111757472 582115571 /nfs/dbraw/zinc/11/55/71/582115571.db2.gz HSMGVTOSSKFSOQ-UHFFFAOYSA-N 2 0 255.362 -0.033 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000729529205 582146913 /nfs/dbraw/zinc/14/69/13/582146913.db2.gz NELNDSSBZZSGNL-XQQFMLRXSA-N 2 0 267.373 -0.083 20 0 CBADRP Cc1cc(N2CC[NH+](CCCO)CC2)nc(N)[nH+]1 ZINC000749391873 582289700 /nfs/dbraw/zinc/28/97/00/582289700.db2.gz GJAABBQINGCXNG-UHFFFAOYSA-N 2 0 251.334 -0.128 20 0 CBADRP CO[C@H]1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000751945200 582294143 /nfs/dbraw/zinc/29/41/43/582294143.db2.gz JTGHHZXISUAETR-NSHDSACASA-N 2 0 296.371 -0.319 20 0 CBADRP OC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000782528817 582369068 /nfs/dbraw/zinc/36/90/68/582369068.db2.gz FUFREQIRGUBLKP-KGLIPLIRSA-N 2 0 272.389 -0.180 20 0 CBADRP OC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000782528818 582369091 /nfs/dbraw/zinc/36/90/91/582369091.db2.gz FUFREQIRGUBLKP-UONOGXRCSA-N 2 0 272.389 -0.180 20 0 CBADRP Cn1ncc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000786108215 582377942 /nfs/dbraw/zinc/37/79/42/582377942.db2.gz ZZMPMQQLPFWRSW-UHFFFAOYSA-N 2 0 268.365 -0.620 20 0 CBADRP O=C1C[C@@]2(CC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)CN1 ZINC000789355433 582388205 /nfs/dbraw/zinc/38/82/05/582388205.db2.gz RQNYQFXZWXMSPQ-OCCSQVGLSA-N 2 0 267.373 -0.345 20 0 CBADRP Cc1n[nH]nc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000789935659 582389595 /nfs/dbraw/zinc/38/95/95/582389595.db2.gz NYKLLQOPKYWOTF-UHFFFAOYSA-N 2 0 268.365 -0.321 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)[NH+]1CCCCC1 ZINC000793704632 582398338 /nfs/dbraw/zinc/39/83/38/582398338.db2.gz YZRPLHGPWQJJGL-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CON(C)C(=O)CC[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000819059340 582525491 /nfs/dbraw/zinc/52/54/91/582525491.db2.gz WQNLKFZVZSZGHK-CYBMUJFWSA-N 2 0 286.420 -0.131 20 0 CBADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]CCS(C)(=O)=O)CC1 ZINC000819059110 582525601 /nfs/dbraw/zinc/52/56/01/582525601.db2.gz VKGPUELMPKYHFF-CYBMUJFWSA-N 2 0 291.461 -0.106 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2COC(C)(C)O2)CC1 ZINC000819153727 582527728 /nfs/dbraw/zinc/52/77/28/582527728.db2.gz CZTXXSFIHFGCPF-OLZOCXBDSA-N 2 0 287.404 -0.664 20 0 CBADRP C[NH+](C)CCN1CCN(C(=O)CC[NH2+]C(C)(C)C)CC1=O ZINC000823856905 582681872 /nfs/dbraw/zinc/68/18/72/582681872.db2.gz CFONWYGBUICITK-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)CC[C@@H]21 ZINC000827290389 582809442 /nfs/dbraw/zinc/80/94/42/582809442.db2.gz TWYIXBDNJNLTBR-ILXRZTDVSA-N 2 0 292.427 -0.071 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000827529636 582820762 /nfs/dbraw/zinc/82/07/62/582820762.db2.gz SSFPSLXWHZQYQK-VIFPVBQESA-N 2 0 263.345 -0.121 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@]3(F)CC[NH2+]C3)CC2)C1 ZINC000829716115 582895921 /nfs/dbraw/zinc/89/59/21/582895921.db2.gz VQESVUOEVMMDIB-DZGCQCFKSA-N 2 0 298.406 -0.074 20 0 CBADRP C[C@]1(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH2+]C1 ZINC000831031363 582950801 /nfs/dbraw/zinc/95/08/01/582950801.db2.gz OJTOBBMSBKNHAB-DYEKYZERSA-N 2 0 282.388 -0.099 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCCCCCC[NH3+])C1 ZINC000831274352 582973652 /nfs/dbraw/zinc/97/36/52/582973652.db2.gz ITHGMUQWXMGECV-ZDUSSCGKSA-N 2 0 272.393 -0.129 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000831970732 583008871 /nfs/dbraw/zinc/00/88/71/583008871.db2.gz KUCXUNRHVAACBF-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@H]1CCC[N@@H+]1CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000831971418 583009253 /nfs/dbraw/zinc/00/92/53/583009253.db2.gz XGJZNRSARQGUSJ-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[NH2+][C@H](C)C1)c1cnn(C)c1 ZINC000832698579 583036743 /nfs/dbraw/zinc/03/67/43/583036743.db2.gz SEOXIPGCHZNWHO-KOLCDFICSA-N 2 0 251.334 -0.499 20 0 CBADRP CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CCC([NH3+])CC1 ZINC000832829327 583049338 /nfs/dbraw/zinc/04/93/38/583049338.db2.gz PLNSISABASODID-BPCQOVAHSA-N 2 0 296.415 -0.027 20 0 CBADRP C[NH+]1CCC(O)(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)CC1 ZINC000833697979 583080135 /nfs/dbraw/zinc/08/01/35/583080135.db2.gz KYJDLUNRYSRYGY-UHFFFAOYSA-N 2 0 285.388 -0.418 20 0 CBADRP CN1CCN(C(=O)c2cccc(C[NH3+])c2)[C@@H](C[NH3+])C1 ZINC000834299115 583119770 /nfs/dbraw/zinc/11/97/70/583119770.db2.gz KFHVFBINVXZMKJ-ZDUSSCGKSA-N 2 0 262.357 -0.140 20 0 CBADRP CN1CCN(C(=O)CCCCCC[NH3+])[C@H](C[NH3+])C1 ZINC000834299215 583119794 /nfs/dbraw/zinc/11/97/94/583119794.db2.gz MWGQLLGNLUMDQG-GFCCVEGCSA-N 2 0 256.394 -0.003 20 0 CBADRP [NH3+]CC[C@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)C(F)F ZINC000834831966 583137205 /nfs/dbraw/zinc/13/72/05/583137205.db2.gz UGPDGILTKUQXHJ-QMMMGPOBSA-N 2 0 273.287 -0.232 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000841851817 583175199 /nfs/dbraw/zinc/17/51/99/583175199.db2.gz PPPBNDLUYCFIBA-IJLUTSLNSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000842014261 583177631 /nfs/dbraw/zinc/17/76/31/583177631.db2.gz BDROXBYRMMWZBT-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)C1 ZINC000842015197 583177831 /nfs/dbraw/zinc/17/78/31/583177831.db2.gz HOEDOAXLLQGMFR-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000842016036 583178003 /nfs/dbraw/zinc/17/80/03/583178003.db2.gz QUBCLSDYRMQXHQ-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CC[NH2+]C ZINC000842097346 583179221 /nfs/dbraw/zinc/17/92/21/583179221.db2.gz KOTXEICQNHTCAV-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000842097794 583179230 /nfs/dbraw/zinc/17/92/30/583179230.db2.gz NRZATDYCVAHVHY-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842512197 583184693 /nfs/dbraw/zinc/18/46/93/583184693.db2.gz IGFJMCHTQALCKA-AAEUAGOBSA-N 2 0 253.346 -0.281 20 0 CBADRP CC[C@@H](C)CN1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000843054701 583198830 /nfs/dbraw/zinc/19/88/30/583198830.db2.gz CGWRISAMKSTONB-LLVKDONJSA-N 2 0 275.418 -0.048 20 0 CBADRP CC[NH2+]CC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843317752 583208519 /nfs/dbraw/zinc/20/85/19/583208519.db2.gz QRLJNUAZYFMZHQ-LBPRGKRZSA-N 2 0 282.388 -0.734 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCC[NH2+]C1 ZINC000843318581 583208618 /nfs/dbraw/zinc/20/86/18/583208618.db2.gz FYZSECPAEUGAPS-VXGBXAGGSA-N 2 0 255.362 -0.129 20 0 CBADRP COC(=O)CCNC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843354573 583211794 /nfs/dbraw/zinc/21/17/94/583211794.db2.gz CZADKIGYSHBWFH-UHFFFAOYSA-N 2 0 271.361 -0.133 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)NCC1=CC[NH2+]CC1 ZINC000843461901 583222945 /nfs/dbraw/zinc/22/29/45/583222945.db2.gz UHWRDVCOIVECPV-LBPRGKRZSA-N 2 0 253.346 -0.209 20 0 CBADRP CC1(NC(=O)c2[nH]nc3c2C[NH2+]CC3)CC[NH2+]CC1 ZINC000843471005 583224464 /nfs/dbraw/zinc/22/44/64/583224464.db2.gz KEAJAUIJWLZKRW-UHFFFAOYSA-N 2 0 263.345 -0.073 20 0 CBADRP C[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000843472229 583224544 /nfs/dbraw/zinc/22/45/44/583224544.db2.gz XLRFABLYTVWOKR-QMMMGPOBSA-N 2 0 250.302 -0.339 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000843473518 583224875 /nfs/dbraw/zinc/22/48/75/583224875.db2.gz GZTAAJIKCKYPLK-SNVBAGLBSA-N 2 0 294.355 -0.323 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843473645 583225013 /nfs/dbraw/zinc/22/50/13/583225013.db2.gz JBPJCZKGKMEJJV-YPMHNXCESA-N 2 0 253.346 -0.423 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843475165 583225017 /nfs/dbraw/zinc/22/50/17/583225017.db2.gz BCPLVWOHZYQCPM-SDDRHHMPSA-N 2 0 273.352 -0.087 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000843478555 583225961 /nfs/dbraw/zinc/22/59/61/583225961.db2.gz OLLGWPQVWSIUAI-MNOVXSKESA-N 2 0 269.345 -0.523 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843480470 583226331 /nfs/dbraw/zinc/22/63/31/583226331.db2.gz XIMGAGZJSSLSJA-RYUDHWBXSA-N 2 0 299.371 -0.882 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H](C)[NH2+]C1CC1 ZINC000843480429 583226406 /nfs/dbraw/zinc/22/64/06/583226406.db2.gz WVWWYQXAZNXSKD-ONGXEEELSA-N 2 0 269.345 -0.510 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000843482085 583226686 /nfs/dbraw/zinc/22/66/86/583226686.db2.gz CUWBUKRWHHNJME-UPJWGTAASA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000843482087 583226690 /nfs/dbraw/zinc/22/66/90/583226690.db2.gz CUWBUKRWHHNJME-YNEHKIRRSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000843484699 583227353 /nfs/dbraw/zinc/22/73/53/583227353.db2.gz QVDAYQJDNMAMNH-ZJUUUORDSA-N 2 0 277.315 -0.132 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)NCCCC[NH+]1CCOCC1 ZINC000844170570 583256232 /nfs/dbraw/zinc/25/62/32/583256232.db2.gz QJIHZQVVGLPBMK-AWEZNQCLSA-N 2 0 299.415 -0.016 20 0 CBADRP C[N@H+](CCNC(=O)CO[C@H]1CCC[NH2+]C1)C1CC1 ZINC000844175167 583257316 /nfs/dbraw/zinc/25/73/16/583257316.db2.gz CELNMMONSMTUFM-LBPRGKRZSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000844178953 583257888 /nfs/dbraw/zinc/25/78/88/583257888.db2.gz AGZJGEMWSOVBBN-VEGXAWMVSA-N 2 0 265.357 -0.284 20 0 CBADRP CC[NH2+]CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000844181330 583258323 /nfs/dbraw/zinc/25/83/23/583258323.db2.gz COLUZHLCHLDNLP-NSHDSACASA-N 2 0 270.377 -0.701 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844181468 583258350 /nfs/dbraw/zinc/25/83/50/583258350.db2.gz RFFJPMUEUBNULD-UONOGXRCSA-N 2 0 299.415 -0.018 20 0 CBADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000844920856 583285532 /nfs/dbraw/zinc/28/55/32/583285532.db2.gz NPOVBMKJSQGPOZ-WDEREUQCSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000846663165 583381335 /nfs/dbraw/zinc/38/13/35/583381335.db2.gz DTMPZBODBGBHIX-GVXVVHGQSA-N 2 0 253.346 -0.580 20 0 CBADRP O=C(N1CC[C@]2(C1)CCC[NH2+]C2)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846679106 583383070 /nfs/dbraw/zinc/38/30/70/583383070.db2.gz AQKXERXABNYLTK-CFVMTHIKSA-N 2 0 279.384 -0.176 20 0 CBADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)N2CCOCC2)C1 ZINC000848718334 583457062 /nfs/dbraw/zinc/45/70/62/583457062.db2.gz IXPHGTDNFOPMLN-NWDGAFQWSA-N 2 0 291.417 -0.492 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOCCO ZINC000848981002 583463755 /nfs/dbraw/zinc/46/37/55/583463755.db2.gz SFFKZFKULAZGOO-NSHDSACASA-N 2 0 258.366 -0.406 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nncn1C ZINC000848992212 583465128 /nfs/dbraw/zinc/46/51/28/583465128.db2.gz XNPPVZNVFYBHDM-JTQLQIEISA-N 2 0 265.365 -0.087 20 0 CBADRP CN1CCC[NH+]=C1NCCN1CCC[N@H+](C)CC1 ZINC000848994036 583465539 /nfs/dbraw/zinc/46/55/39/583465539.db2.gz JQQJBRUFRNMGLZ-UHFFFAOYSA-N 2 0 253.394 -0.095 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1nnnn1C ZINC000849015759 583468042 /nfs/dbraw/zinc/46/80/42/583468042.db2.gz FFFFWEIFJBLEFL-JTQLQIEISA-N 2 0 280.380 -0.649 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(CO)COC1 ZINC000849014216 583468097 /nfs/dbraw/zinc/46/80/97/583468097.db2.gz OZTOIHAWZYYLTA-LLVKDONJSA-N 2 0 270.377 -0.406 20 0 CBADRP CCOCCCNC(=[NH2+])NC[C@@]1(O)CC[N@H+](C)C1 ZINC000849019203 583468594 /nfs/dbraw/zinc/46/85/94/583468594.db2.gz RAFBKPIKHLLWLS-LBPRGKRZSA-N 2 0 258.366 -0.406 20 0 CBADRP COCCNC(=[NH2+])NCC(=O)NCC[NH+]1CCCCCC1 ZINC000849030235 583470009 /nfs/dbraw/zinc/47/00/09/583470009.db2.gz FLAYPZOTITWDGF-UHFFFAOYSA-N 2 0 299.419 -0.261 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)Cn1ccnn1 ZINC000849041097 583471092 /nfs/dbraw/zinc/47/10/92/583471092.db2.gz KCOHRHVVZKFSDW-RYUDHWBXSA-N 2 0 295.391 -0.763 20 0 CBADRP CNC(=[NH2+])NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000849041310 583471132 /nfs/dbraw/zinc/47/11/32/583471132.db2.gz BLLHPAKQXKIQEP-UHFFFAOYSA-N 2 0 269.393 -0.473 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)N(C)OC ZINC000849043827 583471591 /nfs/dbraw/zinc/47/15/91/583471591.db2.gz ILXZQLCIMUKXFP-SNVBAGLBSA-N 2 0 271.365 -0.396 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@@H](C(N)=O)C1 ZINC000849047606 583472058 /nfs/dbraw/zinc/47/20/58/583472058.db2.gz PGPAJOWDZWIBSQ-AXFHLTTASA-N 2 0 267.377 -0.151 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000851656438 583518332 /nfs/dbraw/zinc/51/83/32/583518332.db2.gz LCTUZZQFZVWCTC-TUAOUCFPSA-N 2 0 270.377 -0.243 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)N(CC[NH3+])CCO)C1 ZINC000851676321 583519875 /nfs/dbraw/zinc/51/98/75/583519875.db2.gz HVPJIMHALAHJJT-NSHDSACASA-N 2 0 258.366 -0.567 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H](C)C[NH2+]C)C(C)C ZINC000851691241 583522106 /nfs/dbraw/zinc/52/21/06/583522106.db2.gz GBQJCSZJDJRBEF-LLVKDONJSA-N 2 0 272.393 -0.443 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852793191 583552713 /nfs/dbraw/zinc/55/27/13/583552713.db2.gz UDQXKYXPGQPAPZ-NGZCFLSTSA-N 2 0 254.334 -0.182 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852795871 583553016 /nfs/dbraw/zinc/55/30/16/583553016.db2.gz KCPXOZKHURIVHL-WPRPVWTQSA-N 2 0 254.334 -0.324 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852793520 583553030 /nfs/dbraw/zinc/55/30/30/583553030.db2.gz APYAWDIIFKEVEW-ZDUSSCGKSA-N 2 0 294.399 -0.390 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000852798092 583553253 /nfs/dbraw/zinc/55/32/53/583553253.db2.gz GASHCVJXDJGDIC-AGIUHOORSA-N 2 0 285.388 -0.282 20 0 CBADRP CC[NH2+]CC1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852798309 583553265 /nfs/dbraw/zinc/55/32/65/583553265.db2.gz JCXKIAOLUAVAML-NSHDSACASA-N 2 0 268.361 -0.062 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])=NO1 ZINC000852797721 583553320 /nfs/dbraw/zinc/55/33/20/583553320.db2.gz ACDGPZJOQRMDGW-KXUCPTDWSA-N 2 0 254.334 -0.276 20 0 CBADRP C[NH+](C)CC1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852858578 583561664 /nfs/dbraw/zinc/56/16/64/583561664.db2.gz DZZIFBGFHYOPDN-LLVKDONJSA-N 2 0 268.361 -0.110 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000852857086 583561762 /nfs/dbraw/zinc/56/17/62/583561762.db2.gz ZBWRYUSPBLTAKP-NSHDSACASA-N 2 0 284.404 -0.395 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852859397 583562120 /nfs/dbraw/zinc/56/21/20/583562120.db2.gz SGPCWOUUUSEYJP-WDEREUQCSA-N 2 0 268.361 -0.062 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)=NO1 ZINC000852860605 583562393 /nfs/dbraw/zinc/56/23/93/583562393.db2.gz SRGWYTPRRDLZSY-JBLDHEPKSA-N 2 0 266.345 -0.167 20 0 CBADRP C[C@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)C[NH+]1CCCC1 ZINC000852860267 583562482 /nfs/dbraw/zinc/56/24/82/583562482.db2.gz OTRNVUAWHLYSSG-MNOVXSKESA-N 2 0 268.361 -0.062 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852864693 583563577 /nfs/dbraw/zinc/56/35/77/583563577.db2.gz FCQABKSCWWKLNR-UWVGGRQHSA-N 2 0 256.350 -0.064 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)=NO1 ZINC000852865405 583564065 /nfs/dbraw/zinc/56/40/65/583564065.db2.gz BPXQQEQGZRULBK-DRZSPHRISA-N 2 0 296.371 -0.852 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)=NO1 ZINC000852869777 583564934 /nfs/dbraw/zinc/56/49/34/583564934.db2.gz LMARZHLLXYPCAW-RYUDHWBXSA-N 2 0 296.371 -0.729 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C2=NO[C@H](C[NH3+])C2)C[N@@H+]1C1CC1 ZINC000852872792 583565597 /nfs/dbraw/zinc/56/55/97/583565597.db2.gz RFZAMCYSNKKKJG-KKZNHRDASA-N 2 0 266.345 -0.169 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)=NO1 ZINC000852872957 583565610 /nfs/dbraw/zinc/56/56/10/583565610.db2.gz UOWOZSWLOLCPIU-NWDGAFQWSA-N 2 0 296.371 -0.729 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852873307 583565634 /nfs/dbraw/zinc/56/56/34/583565634.db2.gz RIIORWAUNJRNHA-GFCCVEGCSA-N 2 0 297.403 -0.766 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)=NO1 ZINC000852875364 583565774 /nfs/dbraw/zinc/56/57/74/583565774.db2.gz IUAPXNRQQPYDLS-XWLWVQCSSA-N 2 0 266.345 -0.324 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C2(O)C[NH2+]C2)C[C@H]1c1ccccc1 ZINC000852878443 583566371 /nfs/dbraw/zinc/56/63/71/583566371.db2.gz OSBGBHZQHNBSCQ-NWDGAFQWSA-N 2 0 261.325 -0.726 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)=NO1 ZINC000852882508 583567398 /nfs/dbraw/zinc/56/73/98/583567398.db2.gz JCNDXRXYWBZZCK-WZRBSPASSA-N 2 0 296.371 -0.555 20 0 CBADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852885467 583568737 /nfs/dbraw/zinc/56/87/37/583568737.db2.gz VJGIDZQFWWNFLH-CMPLNLGQSA-N 2 0 268.361 -0.111 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852886969 583569152 /nfs/dbraw/zinc/56/91/52/583569152.db2.gz APYSGONXVDFPCM-JTQLQIEISA-N 2 0 254.334 -0.357 20 0 CBADRP [NH3+]C[C@@H](NC(=O)C1=NO[C@H](C[NH3+])C1)C1CCCC1 ZINC000852889517 583569707 /nfs/dbraw/zinc/56/97/07/583569707.db2.gz FGWCRAUEBZKPIV-GXSJLCMTSA-N 2 0 254.334 -0.276 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CCC3(CC[NH2+]3)CC2)=NO1 ZINC000852892086 583570255 /nfs/dbraw/zinc/57/02/55/583570255.db2.gz ANHZWACPTPDBQL-SECBINFHSA-N 2 0 252.318 -0.556 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)=NO1 ZINC000852892319 583570294 /nfs/dbraw/zinc/57/02/94/583570294.db2.gz DKRFBTXVDOKPEH-UWVGGRQHSA-N 2 0 266.345 -0.119 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000852893205 583570735 /nfs/dbraw/zinc/57/07/35/583570735.db2.gz SFRZOLREBBCAEL-GMXVVIOVSA-N 2 0 253.346 -0.295 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852898437 583572060 /nfs/dbraw/zinc/57/20/60/583572060.db2.gz YTTRACOZOFXEBL-KXUCPTDWSA-N 2 0 254.334 -0.454 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852903307 583572578 /nfs/dbraw/zinc/57/25/78/583572578.db2.gz YJLFAAIPZZOCNX-NSHDSACASA-N 2 0 285.392 -0.910 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000857102974 583664716 /nfs/dbraw/zinc/66/47/16/583664716.db2.gz XXIYRDNMYSTJOA-QWRGUYRKSA-N 2 0 257.382 -0.731 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000857104030 583664824 /nfs/dbraw/zinc/66/48/24/583664824.db2.gz KXQMTIKZFWTXQO-NSHDSACASA-N 2 0 258.366 -0.255 20 0 CBADRP CCN(CC[NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000861572683 583771089 /nfs/dbraw/zinc/77/10/89/583771089.db2.gz WOSYGROAOWBZCK-NWDGAFQWSA-N 2 0 270.377 -0.160 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)NCCCN1CC[NH2+]CC1 ZINC000861638597 583774000 /nfs/dbraw/zinc/77/40/00/583774000.db2.gz DULXJGCYSSJPBA-NSHDSACASA-N 2 0 257.382 -0.730 20 0 CBADRP [NH3+]CCN(CCO)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861658439 583776050 /nfs/dbraw/zinc/77/60/50/583776050.db2.gz JNOQMBVLGZUKGG-SNVBAGLBSA-N 2 0 256.350 -0.766 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000861729306 583781636 /nfs/dbraw/zinc/78/16/36/583781636.db2.gz RPSLIIHJJSBGCS-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000861730061 583781941 /nfs/dbraw/zinc/78/19/41/583781941.db2.gz KJCIQPQGCPOZHZ-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000861750432 583783667 /nfs/dbraw/zinc/78/36/67/583783667.db2.gz JUHFZBJSUMTEEZ-JTQLQIEISA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000861750433 583783743 /nfs/dbraw/zinc/78/37/43/583783743.db2.gz JUHFZBJSUMTEEZ-SNVBAGLBSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000861753590 583784236 /nfs/dbraw/zinc/78/42/36/583784236.db2.gz AURJASFGYSKNLE-WODVXLOZSA-N 2 0 296.415 -0.077 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000861753589 583784299 /nfs/dbraw/zinc/78/42/99/583784299.db2.gz AURJASFGYSKNLE-ODWCKFRGSA-N 2 0 296.415 -0.077 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1CC1 ZINC000861760081 583784826 /nfs/dbraw/zinc/78/48/26/583784826.db2.gz SUKJWDABDBGMMR-SNVBAGLBSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000861765248 583785348 /nfs/dbraw/zinc/78/53/48/583785348.db2.gz OZMRPULKKVNDMA-ZYHUDNBSSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000861783102 583786268 /nfs/dbraw/zinc/78/62/68/583786268.db2.gz RUJWXPCITHUCQP-VOMCLLRMSA-N 2 0 284.404 -0.219 20 0 CBADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000863548234 583846182 /nfs/dbraw/zinc/84/61/82/583846182.db2.gz VYAVICJISCFBSI-WDEREUQCSA-N 2 0 259.350 -0.765 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)[C@H]1CCN(C2CCOCC2)C1=O ZINC000863552125 583846375 /nfs/dbraw/zinc/84/63/75/583846375.db2.gz PCQRGCGIVBFRQJ-AWEZNQCLSA-N 2 0 299.415 -0.066 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000863751362 583852625 /nfs/dbraw/zinc/85/26/25/583852625.db2.gz HJZWHZUSYAGMMM-RYUDHWBXSA-N 2 0 284.404 -0.265 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863753544 583852727 /nfs/dbraw/zinc/85/27/27/583852727.db2.gz YDDIMAOZMNOAKD-GFCCVEGCSA-N 2 0 286.420 -0.162 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000863753896 583852784 /nfs/dbraw/zinc/85/27/84/583852784.db2.gz KQUFAKFAJKWNSM-NSHDSACASA-N 2 0 270.377 -0.654 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000863755194 583853132 /nfs/dbraw/zinc/85/31/32/583853132.db2.gz LDSAXOCTGMIRST-ZYHUDNBSSA-N 2 0 282.388 -0.513 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000863761872 583854318 /nfs/dbraw/zinc/85/43/18/583854318.db2.gz RXMXNHLTEHRDJX-TUAOUCFPSA-N 2 0 282.388 -0.513 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000863762609 583854505 /nfs/dbraw/zinc/85/45/05/583854505.db2.gz XUKWNPRZKAGDOO-LBPRGKRZSA-N 2 0 296.415 -0.121 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863764210 583854726 /nfs/dbraw/zinc/85/47/26/583854726.db2.gz OJURIGXBTJCXDK-NSHDSACASA-N 2 0 272.393 -0.408 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000863774102 583855865 /nfs/dbraw/zinc/85/58/65/583855865.db2.gz PLUFLMGEBXFUFJ-SMDDNHRTSA-N 2 0 282.388 -0.654 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000863774105 583855879 /nfs/dbraw/zinc/85/58/79/583855879.db2.gz PMIUBWUBZQYIOK-SWLSCSKDSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000863774104 583855977 /nfs/dbraw/zinc/85/59/77/583855977.db2.gz PMIUBWUBZQYIOK-IUODEOHRSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000863774326 583856179 /nfs/dbraw/zinc/85/61/79/583856179.db2.gz VCMRHERIMJEBJC-RYUDHWBXSA-N 2 0 280.372 -0.735 20 0 CBADRP C[C@@H](CNC(=O)C(F)C(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000864827190 583890302 /nfs/dbraw/zinc/89/03/02/583890302.db2.gz CNEBXGAZBSXGQT-UWVGGRQHSA-N 2 0 290.383 -0.543 20 0 CBADRP CC1(C)C[C@@H](O)C[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000866704305 583927813 /nfs/dbraw/zinc/92/78/13/583927813.db2.gz SRLBIHUBTYTNBU-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP COC[C@@H](C)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714119 583928343 /nfs/dbraw/zinc/92/83/43/583928343.db2.gz GSBMBKKKSVJEMM-KXNHARMFSA-N 2 0 269.345 -0.112 20 0 CBADRP [NH3+]CCCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866713996 583928361 /nfs/dbraw/zinc/92/83/61/583928361.db2.gz CQBYQASYRKXLMO-MXWKQRLJSA-N 2 0 254.334 -0.798 20 0 CBADRP COC[C@@H](C)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714118 583928383 /nfs/dbraw/zinc/92/83/83/583928383.db2.gz GSBMBKKKSVJEMM-KKOKHZNYSA-N 2 0 269.345 -0.112 20 0 CBADRP O=C1NCCO[C@H]2CCC[N@H+](CC3CC[NH2+]CC3)[C@H]12 ZINC000866717464 583928559 /nfs/dbraw/zinc/92/85/59/583928559.db2.gz GFDSAXLPKUVQQE-STQMWFEESA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]CC[C@H]1CCCCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000866765695 583931633 /nfs/dbraw/zinc/93/16/33/583931633.db2.gz YZCIEFQTXSXBMQ-VXGBXAGGSA-N 2 0 291.417 -0.492 20 0 CBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000866772474 583932327 /nfs/dbraw/zinc/93/23/27/583932327.db2.gz UEZQCSCKJINEHY-VXGBXAGGSA-N 2 0 289.401 -0.868 20 0 CBADRP C[C@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000866812337 583933669 /nfs/dbraw/zinc/93/36/69/583933669.db2.gz INESTQFNNFZXTM-JQWIXIFHSA-N 2 0 291.417 -0.718 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867323963 583948408 /nfs/dbraw/zinc/94/84/08/583948408.db2.gz OGDNFVNUUVCVSI-CHWSQXEVSA-N 2 0 296.415 -0.441 20 0 CBADRP CCNS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867589497 583958444 /nfs/dbraw/zinc/95/84/44/583958444.db2.gz OQBGZHYBLBMZOX-VXGBXAGGSA-N 2 0 292.449 -0.488 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[NH2+]CC3)CC[C@@H]21 ZINC000868386688 583976663 /nfs/dbraw/zinc/97/66/63/583976663.db2.gz KNAUPMUFLXFSBC-OLZOCXBDSA-N 2 0 294.399 -0.639 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)C1 ZINC000868405123 583977773 /nfs/dbraw/zinc/97/77/73/583977773.db2.gz HPNSSTMHGQVKQA-LBPRGKRZSA-N 2 0 296.415 -0.251 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868422289 583979103 /nfs/dbraw/zinc/97/91/03/583979103.db2.gz RMOKEPZSPNUNPT-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C[NH+](C)C ZINC000870017130 584007413 /nfs/dbraw/zinc/00/74/13/584007413.db2.gz GOZSYARKVAPLKC-UTUOFQBUSA-N 2 0 298.387 -0.707 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)CC[NH2+]CC2CC2)CCO1 ZINC000870938283 584022105 /nfs/dbraw/zinc/02/21/05/584022105.db2.gz KBQHMPCELSQBCV-JQWIXIFHSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)CC[NH2+]CC2CC2)CCO1 ZINC000870938282 584022114 /nfs/dbraw/zinc/02/21/14/584022114.db2.gz KBQHMPCELSQBCV-CMPLNLGQSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)CC[NH2+]CC2CC2)CCCO1 ZINC000870944685 584022764 /nfs/dbraw/zinc/02/27/64/584022764.db2.gz CIQYGFQPSJLRBG-GFCCVEGCSA-N 2 0 255.362 -0.048 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870953987 584022969 /nfs/dbraw/zinc/02/29/69/584022969.db2.gz WPZQRMISDPGIPQ-JOCQHMNTSA-N 2 0 298.431 -0.018 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CC[NH2+]CC1CC1 ZINC000870953865 584023021 /nfs/dbraw/zinc/02/30/21/584023021.db2.gz PZYDICWKYXOGAR-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3C[NH2+]CCO3)CC[C@H]21 ZINC000870980633 584023870 /nfs/dbraw/zinc/02/38/70/584023870.db2.gz AAHUJWKTDVPIIU-QJPTWQEYSA-N 2 0 253.346 -0.473 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC[C@@H]21 ZINC000870981753 584024031 /nfs/dbraw/zinc/02/40/31/584024031.db2.gz JWZADYYIIRYYDU-OSFYFWSMSA-N 2 0 279.384 -0.225 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870996839 584024658 /nfs/dbraw/zinc/02/46/58/584024658.db2.gz HUIYGCKQIVQQHN-KKOKHZNYSA-N 2 0 296.371 -0.622 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870996840 584024737 /nfs/dbraw/zinc/02/47/37/584024737.db2.gz HUIYGCKQIVQQHN-KXNHARMFSA-N 2 0 296.371 -0.622 20 0 CBADRP COCCN(C)C(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCCO ZINC000871607002 584043755 /nfs/dbraw/zinc/04/37/55/584043755.db2.gz UTERHBPJBDCWTP-LBPRGKRZSA-N 2 0 272.393 -0.064 20 0 CBADRP O=C(CC[N@@H+]1CCNC(=O)CC12CCC2)N1CC[NH2+]CC1 ZINC000872158187 584048478 /nfs/dbraw/zinc/04/84/78/584048478.db2.gz ZEUIJNNWYFONRZ-UHFFFAOYSA-N 2 0 294.399 -0.447 20 0 CBADRP CN(CCCCCC[NH3+])C(=O)C(=O)N(C)CC[NH+](C)C ZINC000872186524 584048696 /nfs/dbraw/zinc/04/86/96/584048696.db2.gz KTYCITDGFRTDDQ-UHFFFAOYSA-N 2 0 286.420 -0.016 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)CC(C)(C)O ZINC000872200986 584049955 /nfs/dbraw/zinc/04/99/55/584049955.db2.gz QIQFLCJFSGMOEC-QWHCGFSZSA-N 2 0 273.421 -0.266 20 0 CBADRP CC1(C)CC[NH2+]CCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000872298283 584054842 /nfs/dbraw/zinc/05/48/42/584054842.db2.gz GARIXTAWHAFJER-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000872305834 584055013 /nfs/dbraw/zinc/05/50/13/584055013.db2.gz NZVWMGSYBJPVNC-MJDLHHQISA-N 2 0 294.355 -0.883 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000873267157 584069695 /nfs/dbraw/zinc/06/96/95/584069695.db2.gz WXVYJSNZJWCCCG-GUTXKFCHSA-N 2 0 297.399 -0.279 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000873267536 584069877 /nfs/dbraw/zinc/06/98/77/584069877.db2.gz ZQFLRXYOWGPLDI-SGMGOOAPSA-N 2 0 283.372 -0.669 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H](O)C1 ZINC000874382824 584082573 /nfs/dbraw/zinc/08/25/73/584082573.db2.gz VGPJGRYGSFEIOZ-TXEJJXNPSA-N 2 0 257.378 -0.291 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C[NH+]1CCCC1 ZINC000874438205 584084056 /nfs/dbraw/zinc/08/40/56/584084056.db2.gz HRYHGFPGOZPFGX-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000874443561 584084313 /nfs/dbraw/zinc/08/43/13/584084313.db2.gz NSYXQXQDEQJLJE-GFCCVEGCSA-N 2 0 255.362 -0.081 20 0 CBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000876503042 584129798 /nfs/dbraw/zinc/12/97/98/584129798.db2.gz XJEOTEDEXHXHBU-NEPJUHHUSA-N 2 0 268.405 -0.229 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876503074 584129808 /nfs/dbraw/zinc/12/98/08/584129808.db2.gz YFHFDMZCIKHJOM-VXGBXAGGSA-N 2 0 272.368 -0.655 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876502789 584129809 /nfs/dbraw/zinc/12/98/09/584129809.db2.gz NLKGKIKQDNHIFS-HIFRSBDPSA-N 2 0 280.416 -0.070 20 0 CBADRP [NH3+]C[C@H]1CCCN(C(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000876513485 584130444 /nfs/dbraw/zinc/13/04/44/584130444.db2.gz DIYOQXZWMUGYCW-DGCLKSJQSA-N 2 0 255.362 -0.061 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]2CCC[NH2+]C2)C[NH2+]CCO1 ZINC000876512927 584130493 /nfs/dbraw/zinc/13/04/93/584130493.db2.gz CNFWOUJRUCFSRF-AAEUAGOBSA-N 2 0 271.361 -0.893 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@]2(COC)C[NH2+]CCO2)C1 ZINC000876520816 584130915 /nfs/dbraw/zinc/13/09/15/584130915.db2.gz YCVFHFNVWJSPOJ-YPMHNXCESA-N 2 0 271.361 -0.798 20 0 CBADRP COC[C@]1(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)C[NH2+]CCO1 ZINC000876529783 584131804 /nfs/dbraw/zinc/13/18/04/584131804.db2.gz HPXDBXFVKAPNRW-WZRBSPASSA-N 2 0 271.361 -0.800 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H]([NH3+])C(C)C)C[NH2+]CCO1 ZINC000876536457 584132071 /nfs/dbraw/zinc/13/20/71/584132071.db2.gz PKIGPYMFCAFGJJ-PWSUYJOCSA-N 2 0 259.350 -0.909 20 0 CBADRP CN1CCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000876542065 584132407 /nfs/dbraw/zinc/13/24/07/584132407.db2.gz LAMZSFPQDWFQBU-GMTAPVOTSA-N 2 0 258.341 -0.965 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CCO1 ZINC000876543073 584132674 /nfs/dbraw/zinc/13/26/74/584132674.db2.gz DSHLEPJWNSOHBQ-MAUMQABQSA-N 2 0 263.288 -0.599 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000876544502 584133108 /nfs/dbraw/zinc/13/31/08/584133108.db2.gz VIMPJLZSECGISD-GPSBWOBNSA-N 2 0 267.373 -0.027 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@]2(COC)C[NH2+]CCO2)CC1 ZINC000876712199 584140505 /nfs/dbraw/zinc/14/05/05/584140505.db2.gz NJZJVUGIYPUDKL-OAHLLOKOSA-N 2 0 299.415 -0.018 20 0 CBADRP COC[C@@]1(C(=O)NC2CC[NH+](C3CC3)CC2)C[NH2+]CCO1 ZINC000876717132 584140715 /nfs/dbraw/zinc/14/07/15/584140715.db2.gz XHOHIOHLIRHXNI-OAHLLOKOSA-N 2 0 297.399 -0.266 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000876727194 584141282 /nfs/dbraw/zinc/14/12/82/584141282.db2.gz WKMMEZOGHQPIFC-JQWIXIFHSA-N 2 0 274.434 -0.571 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000876754145 584142717 /nfs/dbraw/zinc/14/27/17/584142717.db2.gz PTAYZOSJFQHQGQ-WOPDTQHZSA-N 2 0 255.362 -0.219 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[NH2+]CCO1 ZINC000876754038 584142759 /nfs/dbraw/zinc/14/27/59/584142759.db2.gz LVRYDKNEOCHPHB-UKRRQHHQSA-N 2 0 297.399 -0.408 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)C1 ZINC000876754152 584142826 /nfs/dbraw/zinc/14/28/26/584142826.db2.gz CBDRGYSGLBQMBL-WOPDTQHZSA-N 2 0 273.352 -0.229 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876762219 584143209 /nfs/dbraw/zinc/14/32/09/584143209.db2.gz CMGGQEHUOMCNSH-STQMWFEESA-N 2 0 270.421 -0.031 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[NH2+]CCO1 ZINC000876769068 584143504 /nfs/dbraw/zinc/14/35/04/584143504.db2.gz NCUVJSDUMKLZPN-NFAWXSAZSA-N 2 0 299.415 -0.020 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000876782520 584144171 /nfs/dbraw/zinc/14/41/71/584144171.db2.gz QLDYHLNCVRDLKT-DLOVCJGASA-N 2 0 254.378 -0.526 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876781674 584144214 /nfs/dbraw/zinc/14/42/14/584144214.db2.gz QLVPSRBFQSYLDJ-NWDGAFQWSA-N 2 0 268.405 -0.277 20 0 CBADRP CN(C(=O)[C@@H](N)C[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000876786978 584144628 /nfs/dbraw/zinc/14/46/28/584144628.db2.gz DKPXJUPJADWAGD-MBYGNEARSA-N 2 0 254.378 -0.383 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)C[NH2+]CCO1 ZINC000876796373 584145183 /nfs/dbraw/zinc/14/51/83/584145183.db2.gz KPMWGATXUOQFOU-LOWVWBTDSA-N 2 0 271.361 -0.813 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C[NH2+]CCO1 ZINC000876811069 584147447 /nfs/dbraw/zinc/14/74/47/584147447.db2.gz BISXKZALCOFBSY-WZRBSPASSA-N 2 0 271.361 -0.894 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C[NH2+]CCO1 ZINC000876811068 584147489 /nfs/dbraw/zinc/14/74/89/584147489.db2.gz BISXKZALCOFBSY-MDZLAQPJSA-N 2 0 271.361 -0.894 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000876829569 584147749 /nfs/dbraw/zinc/14/77/49/584147749.db2.gz LQGYLRMGQVQQSR-LBPRGKRZSA-N 2 0 268.405 -0.133 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@]2(COC)C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000876834850 584148214 /nfs/dbraw/zinc/14/82/14/584148214.db2.gz WCONRSSHLJPKIS-DYEKYZERSA-N 2 0 285.388 -0.423 20 0 CBADRP C[C@]1(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C[NH2+]CCO1 ZINC000876842787 584148701 /nfs/dbraw/zinc/14/87/01/584148701.db2.gz LGEFMTQCBLLVQW-ZIAGYGMSSA-N 2 0 267.373 -0.033 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000876846508 584149203 /nfs/dbraw/zinc/14/92/03/584149203.db2.gz CFKKQOZCLPTUFF-RWMBFGLXSA-N 2 0 280.416 -0.134 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876847346 584149222 /nfs/dbraw/zinc/14/92/22/584149222.db2.gz IJHCDVFMFNMBPK-PBJSTTKNSA-N 2 0 295.383 -0.094 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1(F)F ZINC000876848544 584149396 /nfs/dbraw/zinc/14/93/96/584149396.db2.gz SZXNZWYMAJVKQO-GMTAPVOTSA-N 2 0 288.342 -0.668 20 0 CBADRP COC[C@]1(CNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000876848028 584149404 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283.372 -0.750 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000876854790 584150232 /nfs/dbraw/zinc/15/02/32/584150232.db2.gz KEVVPGIIOBORTD-LBPRGKRZSA-N 2 0 278.356 -0.004 20 0 CBADRP COC[C@]1(C(=O)N[C@H](C)CCCC[NH3+])C[NH2+]CCO1 ZINC000876855239 584150276 /nfs/dbraw/zinc/15/02/76/584150276.db2.gz PJIQUXDMWFSHQB-YPMHNXCESA-N 2 0 273.377 -0.375 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H](C)CCC[NH3+])C[NH2+]CCO1 ZINC000876858447 584150518 /nfs/dbraw/zinc/15/05/18/584150518.db2.gz SSWBRNVVLHMKLP-CMPLNLGQSA-N 2 0 259.350 -0.765 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H](CC[NH3+])C(F)F)C[NH2+]CCO1 ZINC000876863686 584150807 /nfs/dbraw/zinc/15/08/07/584150807.db2.gz JDXAWFJXPCWNIB-GZMMTYOYSA-N 2 0 281.303 -0.910 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C[NH2+]CCO1 ZINC000876866578 584151045 /nfs/dbraw/zinc/15/10/45/584151045.db2.gz VHJLNYWQWJWCNU-PSASIEDQSA-N 2 0 263.288 -0.522 20 0 CBADRP COC[C@@]1(C(=O)NCCC[C@H]2CCC[NH2+]2)C[NH2+]CCO1 ZINC000876867396 584151306 /nfs/dbraw/zinc/15/13/06/584151306.db2.gz FOVIGGSXZNDMBI-TZMCWYRMSA-N 2 0 285.388 -0.360 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000876868453 584151422 /nfs/dbraw/zinc/15/14/22/584151422.db2.gz DEVUNDIKAJCRKX-UPJWGTAASA-N 2 0 268.405 -0.277 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876869689 584151446 /nfs/dbraw/zinc/15/14/46/584151446.db2.gz ATPSTNYTQVBIIG-KGLIPLIRSA-N 2 0 299.415 -0.208 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000876870096 584151504 /nfs/dbraw/zinc/15/15/04/584151504.db2.gz JXFWZSKDFZHNBA-TVNDVJIGSA-N 2 0 267.373 -0.107 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000876870094 584151598 /nfs/dbraw/zinc/15/15/98/584151598.db2.gz JXFWZSKDFZHNBA-AINJUTQGSA-N 2 0 267.373 -0.107 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000876916431 584155211 /nfs/dbraw/zinc/15/52/11/584155211.db2.gz BMSXLVXBEZXFTF-AOIOQCJFSA-N 2 0 253.346 -0.497 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000876918719 584155493 /nfs/dbraw/zinc/15/54/93/584155493.db2.gz MHDASXKRJSVFFC-OUAUKWLOSA-N 2 0 255.362 -0.064 20 0 CBADRP COC[C@]1(C(=O)N(C)CC[NH+]2CCCCC2)C[NH2+]CCO1 ZINC000876951871 584157836 /nfs/dbraw/zinc/15/78/36/584157836.db2.gz QIIJMVNAUFYOGX-HNNXBMFYSA-N 2 0 299.415 -0.064 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876965629 584158629 /nfs/dbraw/zinc/15/86/29/584158629.db2.gz JGOVJTUJHDFCIL-NWDGAFQWSA-N 2 0 298.431 -0.162 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000876999287 584160569 /nfs/dbraw/zinc/16/05/69/584160569.db2.gz DBNQCDZKLUXSNP-GXFFZTMASA-N 2 0 286.351 -0.856 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000877016684 584161695 /nfs/dbraw/zinc/16/16/95/584161695.db2.gz BSPZSSNNXYZNQQ-BBBLOLIVSA-N 2 0 296.337 -0.139 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCOCC[NH2+]C ZINC000877024115 584161933 /nfs/dbraw/zinc/16/19/33/584161933.db2.gz QRGNLTFNLNZAIF-OPVGQWETSA-N 2 0 255.362 -0.250 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)C1CC[NH+](C2CC2)CC1 ZINC000877039149 584163430 /nfs/dbraw/zinc/16/34/30/584163430.db2.gz IEWJPVJNNVKHRA-GFCCVEGCSA-N 2 0 267.373 -0.035 20 0 CBADRP COC[C@@]1(C(=O)N2CCCCC[C@H]([NH3+])C2)C[NH2+]CCO1 ZINC000877124802 584167514 /nfs/dbraw/zinc/16/75/14/584167514.db2.gz DTZGWSIQTSOBML-GXTWGEPZSA-N 2 0 285.388 -0.279 20 0 CBADRP CN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000877146633 584168243 /nfs/dbraw/zinc/16/82/43/584168243.db2.gz WTVKLEFJZDDMPL-ZYHUDNBSSA-N 2 0 266.345 -0.357 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000877160064 584168460 /nfs/dbraw/zinc/16/84/60/584168460.db2.gz QVXYSAKIVGYVGY-KBPBESRZSA-N 2 0 278.400 -0.048 20 0 CBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877184747 584169627 /nfs/dbraw/zinc/16/96/27/584169627.db2.gz RDVHBGZECXQXBP-QRVCZOOMSA-N 2 0 253.346 -0.168 20 0 CBADRP COC[C@]1(C(=O)N2C3CCC2(C[NH3+])CC3)C[NH2+]CCO1 ZINC000877184959 584169718 /nfs/dbraw/zinc/16/97/18/584169718.db2.gz ILIBIDBFYSXVAV-UBHUBRDASA-N 2 0 283.372 -0.526 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877184751 584169725 /nfs/dbraw/zinc/16/97/25/584169725.db2.gz RDVHBGZECXQXBP-ZUXSNHBTSA-N 2 0 253.346 -0.168 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877188288 584169921 /nfs/dbraw/zinc/16/99/21/584169921.db2.gz YCYXFFUZJLZPLK-RUETXSTFSA-N 2 0 269.345 -0.251 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877245735 584171865 /nfs/dbraw/zinc/17/18/65/584171865.db2.gz JFVYRYDBZONWIB-MLGHIDQZSA-N 2 0 267.373 -0.003 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCCC[NH2+]1 ZINC000877244391 584171957 /nfs/dbraw/zinc/17/19/57/584171957.db2.gz BKPSMRVTRGEJQH-GVXVVHGQSA-N 2 0 255.362 -0.001 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(C)C[NH2+]CCO3)CC[C@@H]21 ZINC000877248522 584172354 /nfs/dbraw/zinc/17/23/54/584172354.db2.gz AVTJHJZVNNVOAA-MBNYWOFBSA-N 2 0 267.373 -0.083 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H](C)C2CC[NH2+]CC2)C[NH2+]CCO1 ZINC000877252889 584173125 /nfs/dbraw/zinc/17/31/25/584173125.db2.gz APVDUVFEPQCVDM-SMDDNHRTSA-N 2 0 285.388 -0.504 20 0 CBADRP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)CNC(=O)C[NH3+] ZINC000877266722 584173858 /nfs/dbraw/zinc/17/38/58/584173858.db2.gz JZHIBECYSKULLS-UHFFFAOYSA-N 2 0 298.431 -0.112 20 0 CBADRP C[C@H]([NH3+])CC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877327456 584178653 /nfs/dbraw/zinc/17/86/53/584178653.db2.gz SWCJYZPVFWDMJT-WDEREUQCSA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@]1(F)CC[NH2+]C1 ZINC000877335641 584178806 /nfs/dbraw/zinc/17/88/06/584178806.db2.gz DDPRPHBOGSAEBJ-BXUZGUMPSA-N 2 0 285.363 -0.037 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877335704 584179108 /nfs/dbraw/zinc/17/91/08/584179108.db2.gz DQZGVDCRPPTRLN-CHWSQXEVSA-N 2 0 297.399 -0.360 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877338544 584179156 /nfs/dbraw/zinc/17/91/56/584179156.db2.gz HDBSNSHWBKVOMR-MCIONIFRSA-N 2 0 275.352 -0.067 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877358112 584179546 /nfs/dbraw/zinc/17/95/46/584179546.db2.gz ZZYOMFBMGYEHIA-VGMNWLOBSA-N 2 0 282.310 -0.529 20 0 CBADRP C[C@]1(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000877357237 584179576 /nfs/dbraw/zinc/17/95/76/584179576.db2.gz WLMBVNCALBTUSR-ATZCPNFKSA-N 2 0 295.305 -0.040 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@]1(C)C[NH2+]CCO1)C2 ZINC000877372212 584179971 /nfs/dbraw/zinc/17/99/71/584179971.db2.gz XVMGPHGWRSCNPA-CYZMBNFOSA-N 2 0 253.346 -0.567 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877392002 584180523 /nfs/dbraw/zinc/18/05/23/584180523.db2.gz YKPXAAXXUCEPRT-NTZNESFSSA-N 2 0 253.346 -0.234 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391071 584180531 /nfs/dbraw/zinc/18/05/31/584180531.db2.gz MJIRICIOTQVQOP-VHRBIJSZSA-N 2 0 282.388 -0.513 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877393568 584180610 /nfs/dbraw/zinc/18/06/10/584180610.db2.gz ZXWRDIZYRIWVMD-YWPYICTPSA-N 2 0 294.399 -0.355 20 0 CBADRP CCC[N@H+](CCO)CC(=O)NC1CC[NH+](C)CC1 ZINC000877963955 584188796 /nfs/dbraw/zinc/18/87/96/584188796.db2.gz LSONNMHWDZXLCB-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878052601 584191596 /nfs/dbraw/zinc/19/15/96/584191596.db2.gz NKJWXTZPJVOJCY-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H](O)CC[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878133803 584193957 /nfs/dbraw/zinc/19/39/57/584193957.db2.gz MVMLYHWGFLWLKB-LLVKDONJSA-N 2 0 257.378 -0.101 20 0 CBADRP CNC(=O)C1([NH2+]CC(=O)NC2CC[NH+](C)CC2)CCCC1 ZINC000878249654 584197462 /nfs/dbraw/zinc/19/74/62/584197462.db2.gz REKLCPKIYYHHRQ-UHFFFAOYSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH+]1CCC(NC(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C)CC1 ZINC000878261865 584197674 /nfs/dbraw/zinc/19/76/74/584197674.db2.gz RJJZDLOGMMSONO-GFCCVEGCSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH+]1CCC(NC(=O)C[NH2+]C2(C(N)=O)CCCCC2)CC1 ZINC000878264997 584198000 /nfs/dbraw/zinc/19/80/00/584198000.db2.gz KBLBQPFIZJENCT-UHFFFAOYSA-N 2 0 296.415 -0.025 20 0 CBADRP CNC(=O)CCC[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878296515 584198707 /nfs/dbraw/zinc/19/87/07/584198707.db2.gz HTBACYMAITUSQE-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H]1COCCN1C1CC[NH+](CCn2cnnn2)CC1 ZINC000878635788 584211085 /nfs/dbraw/zinc/21/10/85/584211085.db2.gz PYUSONKQWQTPMX-LBPRGKRZSA-N 2 0 280.376 -0.142 20 0 CBADRP CO[C@@H]1COCC[C@H]1[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000880434824 584273631 /nfs/dbraw/zinc/27/36/31/584273631.db2.gz GWRJWUCXVJVQRM-ZIAGYGMSSA-N 2 0 299.415 -0.068 20 0 CBADRP OC[C@@H]1C=CC[NH+]1CCOCC[N@H+]1CC=C[C@H]1CO ZINC000880488578 584276249 /nfs/dbraw/zinc/27/62/49/584276249.db2.gz HVLQJTRPSYEBGA-KBPBESRZSA-N 2 0 268.357 -0.532 20 0 CBADRP OC[C@H]1C=CC[NH+]1CCOCC[N@H+]1CC=C[C@@H]1CO ZINC000880488580 584276277 /nfs/dbraw/zinc/27/62/77/584276277.db2.gz HVLQJTRPSYEBGA-ZIAGYGMSSA-N 2 0 268.357 -0.532 20 0 CBADRP CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000882488585 584318990 /nfs/dbraw/zinc/31/89/90/584318990.db2.gz GQIQJOCMBWGRBV-STQMWFEESA-N 2 0 266.389 -0.413 20 0 CBADRP C[C@H]1C[C@H](NCC[NH+](C)CCOCCO)CC[N@@H+]1C ZINC000883349571 584340100 /nfs/dbraw/zinc/34/01/00/584340100.db2.gz GCUYZOORXKLSRS-UONOGXRCSA-N 2 0 273.421 -0.001 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883428244 584341808 /nfs/dbraw/zinc/34/18/08/584341808.db2.gz POHFIDHVEWFDCG-GARJFASQSA-N 2 0 259.325 -0.477 20 0 CBADRP CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C[C@@H]2C1 ZINC000883448620 584343021 /nfs/dbraw/zinc/34/30/21/584343021.db2.gz KQSNDQGTPBZWSH-MJBXVCDLSA-N 2 0 279.384 -0.083 20 0 CBADRP CO[C@H]1COCC[C@H]1[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000883461591 584343312 /nfs/dbraw/zinc/34/33/12/584343312.db2.gz YIETWJAGTJZHGO-OLZOCXBDSA-N 2 0 285.388 -0.456 20 0 CBADRP CCC1([NH3+])CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000883483238 584343941 /nfs/dbraw/zinc/34/39/41/584343941.db2.gz YMVXVFAHQAUMQT-NSHDSACASA-N 2 0 291.417 -0.492 20 0 CBADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000884016169 584355864 /nfs/dbraw/zinc/35/58/64/584355864.db2.gz PDHWRSJYSWIYKT-LBPRGKRZSA-N 2 0 284.404 -0.456 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884016266 584355937 /nfs/dbraw/zinc/35/59/37/584355937.db2.gz RKZRCBKQKSEFJH-LBPRGKRZSA-N 2 0 275.356 -0.417 20 0 CBADRP O=C(NCC[NH2+]C1CC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884024432 584356365 /nfs/dbraw/zinc/35/63/65/584356365.db2.gz RMWNGOOILKONRR-UHFFFAOYSA-N 2 0 289.383 -0.027 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884032527 584356694 /nfs/dbraw/zinc/35/66/94/584356694.db2.gz UXGXUWMCPWPKLB-LLVKDONJSA-N 2 0 277.372 -0.090 20 0 CBADRP COCC[C@H]([NH3+])C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884183080 584364746 /nfs/dbraw/zinc/36/47/46/584364746.db2.gz BUHAHGASMWLCQU-XQQFMLRXSA-N 2 0 287.404 -0.034 20 0 CBADRP COCC[C@H]([NH3+])C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000884183079 584364915 /nfs/dbraw/zinc/36/49/15/584364915.db2.gz BUHAHGASMWLCQU-UPJWGTAASA-N 2 0 287.404 -0.034 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000884213161 584367603 /nfs/dbraw/zinc/36/76/03/584367603.db2.gz UXZBEYMQQDAZKQ-NEPJUHHUSA-N 2 0 255.362 -0.049 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000884233547 584368817 /nfs/dbraw/zinc/36/88/17/584368817.db2.gz RQCHDBDPSGDLLU-USWWRNFRSA-N 2 0 255.362 -0.051 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000884233545 584368977 /nfs/dbraw/zinc/36/89/77/584368977.db2.gz RQCHDBDPSGDLLU-ADEWGFFLSA-N 2 0 255.362 -0.051 20 0 CBADRP [NH3+][C@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)C1CC1 ZINC000884241720 584369457 /nfs/dbraw/zinc/36/94/57/584369457.db2.gz AHKKQUHHESEUHM-CYBMUJFWSA-N 2 0 289.383 -0.042 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884238122 584369604 /nfs/dbraw/zinc/36/96/04/584369604.db2.gz UMNMNAKGQHSPMZ-LLVKDONJSA-N 2 0 277.372 -0.184 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000884285622 584372171 /nfs/dbraw/zinc/37/21/71/584372171.db2.gz NZTVGUNLCGTDBS-OLZOCXBDSA-N 2 0 280.416 -0.262 20 0 CBADRP [NH3+][C@H](CC1CC1)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000884285996 584372179 /nfs/dbraw/zinc/37/21/79/584372179.db2.gz WBLMQSXMXCKAAD-CHWSQXEVSA-N 2 0 266.389 -0.380 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884296569 584372541 /nfs/dbraw/zinc/37/25/41/584372541.db2.gz ARFNDESYVZTUIP-LBPRGKRZSA-N 2 0 277.372 -0.042 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000884289833 584372578 /nfs/dbraw/zinc/37/25/78/584372578.db2.gz KVXYTIDDDIXOOS-QWHCGFSZSA-N 2 0 280.416 -0.262 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000884336370 584375286 /nfs/dbraw/zinc/37/52/86/584375286.db2.gz OQJCLVCRANGJHO-TUAOUCFPSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)CC1=O ZINC000884356209 584376181 /nfs/dbraw/zinc/37/61/81/584376181.db2.gz AGUMSCHPCFAHHH-GRYCIOLGSA-N 2 0 296.415 -0.362 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000884357599 584376206 /nfs/dbraw/zinc/37/62/06/584376206.db2.gz AYZBCIWPHOZFMG-HBNTYKKESA-N 2 0 282.388 -0.513 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884366129 584377089 /nfs/dbraw/zinc/37/70/89/584377089.db2.gz URMGWJJDVQTVNW-BDAKNGLRSA-N 2 0 251.334 -0.266 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@H]([NH3+])CC3CC3)C[C@H]2[NH3+])cn1 ZINC000884371843 584377360 /nfs/dbraw/zinc/37/73/60/584377360.db2.gz ZMJVBARSWBWBKQ-YNEHKIRRSA-N 2 0 277.372 -0.199 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]([NH3+])CC2CC2)C[C@H]1C[NH3+] ZINC000884385989 584378023 /nfs/dbraw/zinc/37/80/23/584378023.db2.gz BAEJBGCNTBBBMC-GRYCIOLGSA-N 2 0 255.362 -0.064 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884405732 584379649 /nfs/dbraw/zinc/37/96/49/584379649.db2.gz BMVNWGDDXWTDSF-GFCCVEGCSA-N 2 0 298.431 -0.290 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000884490700 584384789 /nfs/dbraw/zinc/38/47/89/584384789.db2.gz DNBGUFRADZHWKO-YVECIDJPSA-N 2 0 296.415 -0.077 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000884528938 584386461 /nfs/dbraw/zinc/38/64/61/584386461.db2.gz BBPLSGMZUBMJQS-MNOVXSKESA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000884553562 584387755 /nfs/dbraw/zinc/38/77/55/584387755.db2.gz BAOAOWSRPHJQIT-WYUUTHIRSA-N 2 0 294.399 -0.324 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884553824 584387843 /nfs/dbraw/zinc/38/78/43/584387843.db2.gz HXYVGASWNRXWGS-XRRVDJEJSA-N 2 0 292.383 -0.842 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884553823 584387849 /nfs/dbraw/zinc/38/78/49/584387849.db2.gz HXYVGASWNRXWGS-URBCHYCLSA-N 2 0 292.383 -0.842 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C[N@@H+]1C1CC1 ZINC000884554349 584387869 /nfs/dbraw/zinc/38/78/69/584387869.db2.gz RJJPASJRXFXNBI-GMXVVIOVSA-N 2 0 294.399 -0.323 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884601224 584389626 /nfs/dbraw/zinc/38/96/26/584389626.db2.gz FFLZMKVKVLGXRZ-SRVKXCTJSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])C1=CC[N@H+](C)CC1 ZINC000884623645 584391399 /nfs/dbraw/zinc/39/13/99/584391399.db2.gz KKISJEDITRKALB-LLVKDONJSA-N 2 0 296.415 -0.003 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884626892 584391739 /nfs/dbraw/zinc/39/17/39/584391739.db2.gz YNKLDJFLNVMEBF-YNEHKIRRSA-N 2 0 294.399 -0.321 20 0 CBADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884631523 584392249 /nfs/dbraw/zinc/39/22/49/584392249.db2.gz NBRTZLBOTHOOSL-AVGNSLFASA-N 2 0 292.383 -0.840 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884665492 584393519 /nfs/dbraw/zinc/39/35/19/584393519.db2.gz WIOWGHSCOXVSSN-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NC3CC[NH2+]CC3)CC[C@H]21 ZINC000884675677 584394684 /nfs/dbraw/zinc/39/46/84/584394684.db2.gz LOVULRMAFXZLAZ-WCQYABFASA-N 2 0 294.399 -0.593 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884675907 584394983 /nfs/dbraw/zinc/39/49/83/584394983.db2.gz UUFYRBNNSDYYGT-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CCC1(C)C ZINC000884677799 584395092 /nfs/dbraw/zinc/39/50/92/584395092.db2.gz DTZAQZIIYTZFDE-NSHDSACASA-N 2 0 282.388 -0.593 20 0 CBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NC[C@H](C)[NH3+])CC1 ZINC000884684600 584395876 /nfs/dbraw/zinc/39/58/76/584395876.db2.gz KXNNUFGOSFJCHG-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000884686302 584396090 /nfs/dbraw/zinc/39/60/90/584396090.db2.gz DSSJFMLHQVTGTE-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC[C@@H]21 ZINC000884687944 584396577 /nfs/dbraw/zinc/39/65/77/584396577.db2.gz NWEJECDKXDLMAR-AGIUHOORSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884697979 584398476 /nfs/dbraw/zinc/39/84/76/584398476.db2.gz HWACFZFNNQXQHB-GRYCIOLGSA-N 2 0 282.388 -0.750 20 0 CBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000884704521 584398905 /nfs/dbraw/zinc/39/89/05/584398905.db2.gz JRILKZJVRWSBCT-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000884704713 584399191 /nfs/dbraw/zinc/39/91/91/584399191.db2.gz QLVVUUIOUGBFTG-SNVBAGLBSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884705320 584399641 /nfs/dbraw/zinc/39/96/41/584399641.db2.gz PFJVQKYSFISWNM-HBNTYKKESA-N 2 0 268.361 -0.998 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884723001 584400805 /nfs/dbraw/zinc/40/08/05/584400805.db2.gz UFAVEBHRTYVPOF-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885198664 584409975 /nfs/dbraw/zinc/40/99/75/584409975.db2.gz AARVORKTFJESJW-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP CCN(CCC(=O)N1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000886848907 584448077 /nfs/dbraw/zinc/44/80/77/584448077.db2.gz TXAQTKCFNMCDJA-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000887066062 584460789 /nfs/dbraw/zinc/46/07/89/584460789.db2.gz BYFGLKBSGHHYHG-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP CCN(C(=O)C(=O)N(C)CC[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000887066320 584461024 /nfs/dbraw/zinc/46/10/24/584461024.db2.gz JLHPTPGWXGRITM-NSHDSACASA-N 2 0 270.377 -0.783 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=[NH2+])NCC(F)F)C1 ZINC000887352680 584466762 /nfs/dbraw/zinc/46/67/62/584466762.db2.gz KALGNTSDSHWQDT-VIFPVBQESA-N 2 0 291.346 -0.047 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1 ZINC000887922216 584477112 /nfs/dbraw/zinc/47/71/12/584477112.db2.gz ZQUCEGZKOGDFIS-ZBFHGGJFSA-N 2 0 294.443 -0.110 20 0 CBADRP CN1CCN(C(=O)CCn2ccnc2)CC[N@H+](C)CC1 ZINC000888992226 584512351 /nfs/dbraw/zinc/51/23/51/584512351.db2.gz BELAGLFBOUDEKP-UHFFFAOYSA-N 2 0 279.388 -0.021 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000889042029 584515521 /nfs/dbraw/zinc/51/55/21/584515521.db2.gz YWVPHQXPKROXKU-NWDGAFQWSA-N 2 0 299.419 -0.302 20 0 CBADRP C[C@H](C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)[NH+](C)C ZINC000889744159 584534649 /nfs/dbraw/zinc/53/46/49/584534649.db2.gz KPDBETSABZAPMX-JHJVBQTASA-N 2 0 269.389 -0.006 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000890057348 584539654 /nfs/dbraw/zinc/53/96/54/584539654.db2.gz CHHKEGCCPBPHGN-FRRDWIJNSA-N 2 0 282.388 -0.459 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891514442 584583432 /nfs/dbraw/zinc/58/34/32/584583432.db2.gz RPIGAMCKRASOHN-XJFOESAGSA-N 2 0 294.399 -0.005 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891514660 584583579 /nfs/dbraw/zinc/58/35/79/584583579.db2.gz WHBHULFDAZLOSX-CYDGBPFRSA-N 2 0 280.372 -0.395 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891527840 584584465 /nfs/dbraw/zinc/58/44/65/584584465.db2.gz MBOYVIJIJMYBCN-MCIONIFRSA-N 2 0 295.431 -0.232 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000891540079 584584798 /nfs/dbraw/zinc/58/47/98/584584798.db2.gz LWDUQKNHAGROLZ-STQMWFEESA-N 2 0 283.420 -0.245 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H]([NH3+])C[C@H]2C)C1 ZINC000891576682 584586975 /nfs/dbraw/zinc/58/69/75/584586975.db2.gz MUYNJFDDTVASJL-UTUOFQBUSA-N 2 0 270.377 -0.162 20 0 CBADRP C[NH+](C)CC(=O)N1CCN(c2cc[nH+]cc2CO)CC1 ZINC000891765006 584591820 /nfs/dbraw/zinc/59/18/20/584591820.db2.gz OFTKAMMWEBHJGX-UHFFFAOYSA-N 2 0 278.356 -0.216 20 0 CBADRP CCN(C(=O)NCCOCC[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000891845444 584593088 /nfs/dbraw/zinc/59/30/88/584593088.db2.gz UUXDJFJPOBCERR-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000891919395 584594432 /nfs/dbraw/zinc/59/44/32/584594432.db2.gz QPLAWMJEXZAIRP-GFCCVEGCSA-N 2 0 270.377 -0.159 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000891919841 584594490 /nfs/dbraw/zinc/59/44/90/584594490.db2.gz URNQFKZMTIMKNV-NWDGAFQWSA-N 2 0 270.377 -0.160 20 0 CBADRP C[NH2+]CCCNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000891962613 584595801 /nfs/dbraw/zinc/59/58/01/584595801.db2.gz WPELDBFYOKWUEX-NSHDSACASA-N 2 0 272.393 -0.260 20 0 CBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000891972351 584596273 /nfs/dbraw/zinc/59/62/73/584596273.db2.gz FHLQRRYGEFPZFN-ZDUSSCGKSA-N 2 0 297.447 -0.031 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)NCCN3CC[NH2+]CC3)CC[C@H]21 ZINC000891972847 584596606 /nfs/dbraw/zinc/59/66/06/584596606.db2.gz LUYOQQSFSHBLCS-UONOGXRCSA-N 2 0 295.431 -0.373 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891973206 584596625 /nfs/dbraw/zinc/59/66/25/584596625.db2.gz QIMQENQKQZQQES-OLZOCXBDSA-N 2 0 281.404 -0.573 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC[NH3+])C[C@H]1C[NH+](C)C ZINC000891976944 584596889 /nfs/dbraw/zinc/59/68/89/584596889.db2.gz QXWHVXULAQINNP-VXGBXAGGSA-N 3 0 271.409 -0.674 20 0 CBADRP [NH3+]CCCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891985439 584597077 /nfs/dbraw/zinc/59/70/77/584597077.db2.gz DOVYHCIDHUZZMH-LLVKDONJSA-N 2 0 270.377 -0.207 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC[C@H]1CCC[NH2+]1)C2 ZINC000892000882 584598220 /nfs/dbraw/zinc/59/82/20/584598220.db2.gz VFQQDHQHFAJIAS-DMDPSCGWSA-N 2 0 252.362 -0.011 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@H](C[NH3+])C1CC1)C2 ZINC000892029806 584599983 /nfs/dbraw/zinc/59/99/83/584599983.db2.gz WROWYAXSTNBGPJ-DMDPSCGWSA-N 2 0 252.362 -0.025 20 0 CBADRP COCC[NH2+]CCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000892056000 584602315 /nfs/dbraw/zinc/60/23/15/584602315.db2.gz PJDDHQGOGWSTQC-JTQLQIEISA-N 2 0 294.346 -0.234 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892087752 584603970 /nfs/dbraw/zinc/60/39/70/584603970.db2.gz BUMWNRYHYNRJGB-QWRGUYRKSA-N 2 0 270.377 -0.209 20 0 CBADRP COCCC1(NC(=O)NC/C=C\C[NH3+])CC[NH2+]CC1 ZINC000892123180 584605565 /nfs/dbraw/zinc/60/55/65/584605565.db2.gz ZKFJVTPGCZBLNJ-IHWYPQMZSA-N 2 0 270.377 -0.041 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000892168976 584607130 /nfs/dbraw/zinc/60/71/30/584607130.db2.gz KZRRLEFFGSSUSL-YNEHKIRRSA-N 2 0 282.388 -0.099 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892169988 584607161 /nfs/dbraw/zinc/60/71/61/584607161.db2.gz REWOVHAVNACQPB-TUAOUCFPSA-N 2 0 268.361 -0.489 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000892179788 584607699 /nfs/dbraw/zinc/60/76/99/584607699.db2.gz KJRFLBJNIVEYJB-SRVKXCTJSA-N 2 0 270.377 -0.209 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000892184533 584608385 /nfs/dbraw/zinc/60/83/85/584608385.db2.gz UIBMGMSQOFGIJL-NEPJUHHUSA-N 2 0 270.377 -0.242 20 0 CBADRP CCN(C(=O)NC[C@@H]1C[NH2+]CCO1)[C@@H]1CC[NH2+]C1 ZINC000892190282 584609106 /nfs/dbraw/zinc/60/91/06/584609106.db2.gz XWHXTZZRQSLRAC-MNOVXSKESA-N 2 0 256.350 -0.632 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000892279797 584611864 /nfs/dbraw/zinc/61/18/64/584611864.db2.gz DGSWPZYGWOJBKE-UHFFFAOYSA-N 2 0 272.393 -0.042 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC1([NH3+])CCOCC1 ZINC000892279075 584611870 /nfs/dbraw/zinc/61/18/70/584611870.db2.gz NAAGOBQCKKVBLU-NXEZZACHSA-N 2 0 256.350 -0.375 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000892282054 584611993 /nfs/dbraw/zinc/61/19/93/584611993.db2.gz KCEVUARZJJRBDO-STQMWFEESA-N 2 0 284.404 -0.042 20 0 CBADRP CCN(C(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000892287038 584612421 /nfs/dbraw/zinc/61/24/21/584612421.db2.gz GIZWTQROWKUNKA-WDEREUQCSA-N 2 0 256.350 -0.632 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000892290734 584613258 /nfs/dbraw/zinc/61/32/58/584613258.db2.gz SEUOWBGIVKZHAV-GRYCIOLGSA-N 2 0 268.361 -0.489 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000892291143 584613575 /nfs/dbraw/zinc/61/35/75/584613575.db2.gz WLMKUOJQGYWULQ-IJLUTSLNSA-N 2 0 270.377 -0.209 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000892291170 584613596 /nfs/dbraw/zinc/61/35/96/584613596.db2.gz WSFPFSLCXZWHRZ-VXGBXAGGSA-N 2 0 270.377 -0.242 20 0 CBADRP [NH3+]CCCOCCNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000892291792 584613630 /nfs/dbraw/zinc/61/36/30/584613630.db2.gz PWMUHFHFFKYCQE-WCQYABFASA-N 2 0 270.377 -0.064 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)[N@H+]1CCO ZINC000892550955 584618436 /nfs/dbraw/zinc/61/84/36/584618436.db2.gz CQNOMKPDFHWTHI-MPZDIEGVSA-N 2 0 284.404 -0.180 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000892566377 584619306 /nfs/dbraw/zinc/61/93/06/584619306.db2.gz ILSVZSKOLLAGHL-AVGNSLFASA-N 2 0 284.404 -0.130 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892577469 584619734 /nfs/dbraw/zinc/61/97/34/584619734.db2.gz JEZHVVSGZBMLMZ-HAQNSBGRSA-N 2 0 272.393 -0.057 20 0 CBADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH2+]CC1 ZINC000892755434 584625037 /nfs/dbraw/zinc/62/50/37/584625037.db2.gz HSYVMRLSGXGRDI-GFCCVEGCSA-N 2 0 282.388 -0.240 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892755749 584625126 /nfs/dbraw/zinc/62/51/26/584625126.db2.gz KGYSIJXDAWXRTL-NWDGAFQWSA-N 2 0 282.388 -0.112 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCCC(C)(C)[NH3+])C1 ZINC000892855829 584628524 /nfs/dbraw/zinc/62/85/24/584628524.db2.gz WDYUJUIDAIPRAY-LBPRGKRZSA-N 2 0 258.366 -0.520 20 0 CBADRP CN(C)S(=O)(=O)NCC[NH2+]CC1CC[NH+](C)CC1 ZINC000894420074 584657702 /nfs/dbraw/zinc/65/77/02/584657702.db2.gz ZFRHFZSOSUPWJW-UHFFFAOYSA-N 2 0 278.422 -0.686 20 0 CBADRP C[NH+]1CCC(C[NH2+]C[C@@H](O)Cn2ccnn2)CC1 ZINC000894858626 584665860 /nfs/dbraw/zinc/66/58/60/584665860.db2.gz IPWSIUAUIBBIDL-GFCCVEGCSA-N 2 0 253.350 -0.430 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1C[NH+](C)CCN1C ZINC000896529259 584700809 /nfs/dbraw/zinc/70/08/09/584700809.db2.gz AGLUWHSHXFXRST-AVGNSLFASA-N 2 0 268.405 -0.169 20 0 CBADRP C[C@H](C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C)[NH+](C)C ZINC000896531564 584701124 /nfs/dbraw/zinc/70/11/24/584701124.db2.gz PSWNUTWWUHKTGA-QJPTWQEYSA-N 2 0 256.394 -0.313 20 0 CBADRP C[C@@H]1[C@H](NC(=O)N2CCN(C)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000896617785 584704033 /nfs/dbraw/zinc/70/40/33/584704033.db2.gz KADYEDBESCXMMB-ZIAGYGMSSA-N 2 0 297.447 -0.032 20 0 CBADRP C[NH+](C)CCOCCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897313168 584712730 /nfs/dbraw/zinc/71/27/30/584712730.db2.gz WBQOPLOECOCOTN-UHFFFAOYSA-N 2 0 299.415 -0.208 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897415590 584715504 /nfs/dbraw/zinc/71/55/04/584715504.db2.gz BNPUYXXZTQZKMU-UHFFFAOYSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000897446649 584716678 /nfs/dbraw/zinc/71/66/78/584716678.db2.gz XKQWRCQWCSQIFF-OCCSQVGLSA-N 2 0 284.404 -0.306 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NCC[NH+]1CC[C@H](C)C1 ZINC000897448561 584716795 /nfs/dbraw/zinc/71/67/95/584716795.db2.gz XFKYIGVQPRCMMJ-ZDUSSCGKSA-N 2 0 286.420 -0.058 20 0 CBADRP C[C@H]1CCC[N@@H+]1CCNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000897495090 584718192 /nfs/dbraw/zinc/71/81/92/584718192.db2.gz SMNDTNYIUGEBTO-GXTWGEPZSA-N 2 0 284.404 -0.164 20 0 CBADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000897825806 584725468 /nfs/dbraw/zinc/72/54/68/584725468.db2.gz PESHUDIQNVFFTK-UBHSHLNASA-N 2 0 279.384 -0.130 20 0 CBADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000897825807 584725502 /nfs/dbraw/zinc/72/55/02/584725502.db2.gz PESHUDIQNVFFTK-YUTCNCBUSA-N 2 0 279.384 -0.130 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)C[C@@H]2C1 ZINC000898166383 584732403 /nfs/dbraw/zinc/73/24/03/584732403.db2.gz SCCPKPXQSRTYGQ-ILXRZTDVSA-N 2 0 292.427 -0.214 20 0 CBADRP CC[N@@H+]1CC[C@H]1CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000899224870 584753776 /nfs/dbraw/zinc/75/37/76/584753776.db2.gz VLZQPZMPWMFBBN-STQMWFEESA-N 2 0 267.373 -0.083 20 0 CBADRP CN(C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000899909162 584784064 /nfs/dbraw/zinc/78/40/64/584784064.db2.gz LUQMKUYFDMYPQN-JSGCOSHPSA-N 2 0 269.389 -0.006 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000900192640 584794994 /nfs/dbraw/zinc/79/49/94/584794994.db2.gz UGWLLNJHJKQGPT-OCCSQVGLSA-N 2 0 287.404 -0.474 20 0 CBADRP C[N@H+](CCNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C)C1CC1 ZINC000900367883 584800755 /nfs/dbraw/zinc/80/07/55/584800755.db2.gz XPIFSPCPLQDFSU-WCQYABFASA-N 2 0 255.362 -0.348 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900612389 584816274 /nfs/dbraw/zinc/81/62/74/584816274.db2.gz BVUZFNHBNPWPDK-VNHYZAJKSA-N 2 0 298.431 -0.806 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900612380 584816295 /nfs/dbraw/zinc/81/62/95/584816295.db2.gz BVUZFNHBNPWPDK-IPYPFGDCSA-N 2 0 298.431 -0.806 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000900630655 584817830 /nfs/dbraw/zinc/81/78/30/584817830.db2.gz OTMWKBJWFGTRDD-DYEKYZERSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+](C)C1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900631622 584817924 /nfs/dbraw/zinc/81/79/24/584817924.db2.gz AXCUOVKUMAGYKR-GXTWGEPZSA-N 2 0 269.389 -0.006 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N1CC[NH+](C)CC1 ZINC000900695021 584822690 /nfs/dbraw/zinc/82/26/90/584822690.db2.gz HUVPCUCCIQTSLM-CYBMUJFWSA-N 2 0 280.416 -0.166 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000900756322 584825581 /nfs/dbraw/zinc/82/55/81/584825581.db2.gz SREPKJXFPZKSFZ-HIFRSBDPSA-N 2 0 299.415 -0.596 20 0 CBADRP CC1(C)CN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC[NH2+]1 ZINC000900937881 584833668 /nfs/dbraw/zinc/83/36/68/584833668.db2.gz KVSGSMRTTFFUFD-LBPRGKRZSA-N 2 0 267.373 -0.083 20 0 CBADRP CC1(C)CN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC[NH2+]1 ZINC000900937880 584833740 /nfs/dbraw/zinc/83/37/40/584833740.db2.gz KVSGSMRTTFFUFD-GFCCVEGCSA-N 2 0 267.373 -0.083 20 0 CBADRP CN(C[C@@H](O)CN1CCOCC1)C(=O)C12CC[NH+](CC1)C2 ZINC000900981598 584836413 /nfs/dbraw/zinc/83/64/13/584836413.db2.gz BYVPNNPCRYDXGL-CYBMUJFWSA-N 2 0 297.399 -0.766 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000901134238 584850935 /nfs/dbraw/zinc/85/09/35/584850935.db2.gz JYODDGWPFAQSSV-IPYPFGDCSA-N 2 0 299.415 -0.596 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000901134241 584851021 /nfs/dbraw/zinc/85/10/21/584851021.db2.gz JYODDGWPFAQSSV-VNHYZAJKSA-N 2 0 299.415 -0.596 20 0 CBADRP O[C@H](C[NH2+][C@H]1CCO[C@@]12CCOC2)C[NH+]1CCCC1 ZINC000903075640 584889089 /nfs/dbraw/zinc/88/90/89/584889089.db2.gz AVTAYEHUZKKSEC-HZSPNIEDSA-N 2 0 270.373 -0.019 20 0 CBADRP O[C@H](C[NH2+][C@@H]1CCO[C@@]12CCOC2)C[NH+]1CCCC1 ZINC000903075642 584889169 /nfs/dbraw/zinc/88/91/69/584889169.db2.gz AVTAYEHUZKKSEC-MGPQQGTHSA-N 2 0 270.373 -0.019 20 0 CBADRP CN1CCOC[C@]1(CO)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000903282707 584890006 /nfs/dbraw/zinc/89/00/06/584890006.db2.gz UTPUGKZZARXYMY-RBSFLKMASA-N 2 0 283.416 -0.104 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](CCO)CCN1CCOCC1 ZINC000903442430 584890456 /nfs/dbraw/zinc/89/04/56/584890456.db2.gz PXPARDCVODSYHF-KGLIPLIRSA-N 2 0 271.405 -0.532 20 0 CBADRP CC(C)[C@@](C)(C[NH3+])NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000903492078 584891594 /nfs/dbraw/zinc/89/15/94/584891594.db2.gz BJXCONNERNXCQS-WDEREUQCSA-N 2 0 279.406 -0.732 20 0 CBADRP CC(C)[C@@](C)(C[NH3+])NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000903492064 584891739 /nfs/dbraw/zinc/89/17/39/584891739.db2.gz BJXCONNERNXCQS-GHMZBOCLSA-N 2 0 279.406 -0.732 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC000903493535 584891866 /nfs/dbraw/zinc/89/18/66/584891866.db2.gz UMZYLUQIQDKBEV-WJZNIJOASA-N 2 0 267.329 -0.913 20 0 CBADRP COC(=O)CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499235 584892021 /nfs/dbraw/zinc/89/20/21/584892021.db2.gz KXGBZRHAPZDIDU-GHMZBOCLSA-N 2 0 271.361 -0.418 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000903519972 584892343 /nfs/dbraw/zinc/89/23/43/584892343.db2.gz DCKWUCOUGJKNFN-MWLCHTKSSA-N 2 0 261.391 -0.405 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000903529268 584892619 /nfs/dbraw/zinc/89/26/19/584892619.db2.gz SPKUEEQYVZYGBS-MWLCHTKSSA-N 2 0 276.406 -0.888 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNS(=O)(=O)CCC[NH+](C)C ZINC000903533582 584892683 /nfs/dbraw/zinc/89/26/83/584892683.db2.gz IQZKOSXUFSFAOC-MNOVXSKESA-N 2 0 263.407 -0.287 20 0 CBADRP [NH3+]C[C@@]12CC[C@H]1CCCN2S(=O)(=O)C1C[NH2+]C1 ZINC000903531877 584892717 /nfs/dbraw/zinc/89/27/17/584892717.db2.gz QQCXGHLGEHBISL-KOLCDFICSA-N 2 0 259.375 -0.509 20 0 CBADRP [NH3+]C[C@@]12CC[C@H]1CCCN2S(=O)(=O)N1CC[NH2+]CC1 ZINC000903531439 584892728 /nfs/dbraw/zinc/89/27/28/584892728.db2.gz MBVXDXSFRDWRAX-NEPJUHHUSA-N 2 0 288.417 -0.660 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000903550442 584892884 /nfs/dbraw/zinc/89/28/84/584892884.db2.gz GAUYYABTMPTUTJ-ZJUUUORDSA-N 2 0 261.391 -0.344 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CC[NH2+]CCC12CCOCC2 ZINC000903549141 584892906 /nfs/dbraw/zinc/89/29/06/584892906.db2.gz DSCNSHUSIGCIIM-UHFFFAOYSA-N 2 0 289.401 -0.868 20 0 CBADRP O=S(=O)(NC1(C2CC[NH2+]CC2)CC1)N1CC[NH2+]CC1 ZINC000903558633 584893154 /nfs/dbraw/zinc/89/31/54/584893154.db2.gz SWTBCJWTUZSAQU-UHFFFAOYSA-N 2 0 288.417 -0.742 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C[C@H]1CC[NH3+] ZINC000903556860 584893165 /nfs/dbraw/zinc/89/31/65/584893165.db2.gz HVXDVSVQUNTSAP-IJLUTSLNSA-N 2 0 291.417 -0.779 20 0 CBADRP O=S(=O)(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000903559348 584893279 /nfs/dbraw/zinc/89/32/79/584893279.db2.gz LDKSGNQLYPFVBJ-LNFKQOIKSA-N 2 0 259.375 -0.449 20 0 CBADRP [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000903583926 584893924 /nfs/dbraw/zinc/89/39/24/584893924.db2.gz HXNGLANRWOLVFI-IJLUTSLNSA-N 2 0 273.402 -0.119 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000903713613 584895463 /nfs/dbraw/zinc/89/54/63/584895463.db2.gz XQBZHSSLFPQYMJ-MQYQWHSLSA-N 2 0 297.399 -0.423 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903717126 584895576 /nfs/dbraw/zinc/89/55/76/584895576.db2.gz HEILCSHVASTHON-RFQIPJPRSA-N 2 0 269.389 -0.197 20 0 CBADRP CNC(=O)CC[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903728413 584896254 /nfs/dbraw/zinc/89/62/54/584896254.db2.gz AQIKHKVYIVJQPJ-WCQYABFASA-N 2 0 255.362 -0.177 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000903750325 584897329 /nfs/dbraw/zinc/89/73/29/584897329.db2.gz XLIOJVRUSGTXOB-OLZOCXBDSA-N 2 0 285.388 -0.720 20 0 CBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000903761975 584897813 /nfs/dbraw/zinc/89/78/13/584897813.db2.gz KTDJSHOAPDCHFW-LBPRGKRZSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@]1(C(N)=O)CC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903765478 584897943 /nfs/dbraw/zinc/89/79/43/584897943.db2.gz IFPDIXXKTQIPCX-FPMFFAJLSA-N 2 0 267.373 -0.048 20 0 CBADRP O[C@@H]1C[C@H]2CN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC[N@@H+]2C1 ZINC000903769147 584898442 /nfs/dbraw/zinc/89/84/42/584898442.db2.gz YRCDLDJUKWCDCM-YJNKXOJESA-N 2 0 281.400 -0.494 20 0 CBADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)C2)C1 ZINC000903790046 584899907 /nfs/dbraw/zinc/89/99/07/584899907.db2.gz PNYYOFWESWIOMF-WFASDCNBSA-N 2 0 294.399 -0.510 20 0 CBADRP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)C[C@H]1CS(N)(=O)=O ZINC000903826911 584900933 /nfs/dbraw/zinc/90/09/33/584900933.db2.gz NPNIJNOXVHYKLA-WOPDTQHZSA-N 2 0 275.418 -0.158 20 0 CBADRP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)C[C@H]1CS(N)(=O)=O ZINC000903825919 584901040 /nfs/dbraw/zinc/90/10/40/584901040.db2.gz FFDSURWULICRMC-VWYCJHECSA-N 2 0 261.391 -0.548 20 0 CBADRP CC[N@H+](CCC(=O)NC)CCC(=O)N1CC[NH2+]CC1 ZINC000903827723 584901305 /nfs/dbraw/zinc/90/13/05/584901305.db2.gz VICFQHIBTYHMAB-UHFFFAOYSA-N 2 0 270.377 -0.734 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903837045 584901621 /nfs/dbraw/zinc/90/16/21/584901621.db2.gz AQIHCQLOEQBJHV-STQMWFEESA-N 2 0 269.389 -0.182 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903864472 584902544 /nfs/dbraw/zinc/90/25/44/584902544.db2.gz VKRJHPDTPSARGK-HZSPNIEDSA-N 2 0 271.405 -0.261 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@]12CC[NH2+]C2 ZINC000903870611 584902854 /nfs/dbraw/zinc/90/28/54/584902854.db2.gz ODBLBPIQHSUAIZ-UONOGXRCSA-N 2 0 271.405 -0.247 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C[C@@H]([NH3+])CC(F)F ZINC000903873892 584902905 /nfs/dbraw/zinc/90/29/05/584902905.db2.gz NNSMPVSMUBUKIC-JTQLQIEISA-N 2 0 250.337 -0.194 20 0 CBADRP Cc1c(C[C@H](C[NH3+])CN2CC[NH2+]CC2)cnn1C ZINC000903873272 584902910 /nfs/dbraw/zinc/90/29/10/584902910.db2.gz GGVCQVHKXDAYMK-GFCCVEGCSA-N 2 0 251.378 -0.249 20 0 CBADRP C[NH2+][C@@H]1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903873504 584902931 /nfs/dbraw/zinc/90/29/31/584902931.db2.gz IXSOIVXEGCWPMV-NEPJUHHUSA-N 2 0 264.377 -0.004 20 0 CBADRP C[NH2+]CCN(C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903874145 584902963 /nfs/dbraw/zinc/90/29/63/584902963.db2.gz TUHHCBPZFNRGJT-NSHDSACASA-N 2 0 252.366 -0.146 20 0 CBADRP C[C@@H]1C[NH2+]CCN1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903874401 584903138 /nfs/dbraw/zinc/90/31/38/584903138.db2.gz ZXOZWOHLPOCNST-VXGBXAGGSA-N 2 0 264.377 -0.004 20 0 CBADRP C[C@H]1C(=O)NCCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903875668 584903259 /nfs/dbraw/zinc/90/32/59/584903259.db2.gz SQSVCLNPOOCPGL-SGMGOOAPSA-N 2 0 267.373 -0.035 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903881799 584903657 /nfs/dbraw/zinc/90/36/57/584903657.db2.gz IVYRZDTWYMTKPQ-MELADBBJSA-N 2 0 269.389 -0.325 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903880489 584903709 /nfs/dbraw/zinc/90/37/09/584903709.db2.gz JHOMJGKLFQLZOW-VXGBXAGGSA-N 2 0 255.362 -0.572 20 0 CBADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@H](O)C2)cnn1C ZINC000903884290 584903870 /nfs/dbraw/zinc/90/38/70/584903870.db2.gz WUZKJFMAAFORPB-AAEUAGOBSA-N 2 0 252.362 -0.087 20 0 CBADRP NC(=O)[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903889969 584904002 /nfs/dbraw/zinc/90/40/02/584904002.db2.gz WTKZMBYLYRLGPZ-FGNRJIRKSA-N 2 0 253.346 -0.297 20 0 CBADRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)cnn1C ZINC000903909310 584904362 /nfs/dbraw/zinc/90/43/62/584904362.db2.gz TVHIYGFDLHIRGT-SUHUHFCYSA-N 2 0 293.415 -0.040 20 0 CBADRP C[C@]1(C(N)=O)CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903909860 584904382 /nfs/dbraw/zinc/90/43/82/584904382.db2.gz HHHSQZBOSCEBGM-RISCZKNCSA-N 2 0 292.387 -0.100 20 0 CBADRP C[C@@]1(C(N)=O)CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903909861 584904418 /nfs/dbraw/zinc/90/44/18/584904418.db2.gz HHHSQZBOSCEBGM-SMDDNHRTSA-N 2 0 292.387 -0.100 20 0 CBADRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@H]2C(=O)NCC[C@H]2C)cnn1C ZINC000903909304 584904467 /nfs/dbraw/zinc/90/44/67/584904467.db2.gz TVHIYGFDLHIRGT-MPKXVKKWSA-N 2 0 293.415 -0.040 20 0 CBADRP Cc1c(C[C@H](C[NH3+])CN2C[C@H]3C[NH2+]C[C@H]3C2)cnn1C ZINC000903906846 584904481 /nfs/dbraw/zinc/90/44/81/584904481.db2.gz ZMPOPIQZCBAMPD-YUELXQCFSA-N 2 0 277.416 -0.003 20 0 CBADRP CN1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000903918226 584904507 /nfs/dbraw/zinc/90/45/07/584904507.db2.gz VLALRROOHOMQON-OLZOCXBDSA-N 2 0 293.419 -0.723 20 0 CBADRP Cc1c(C[C@@H](C[NH3+])CN(CC[NH3+])CCO)cnn1C ZINC000903919624 584904700 /nfs/dbraw/zinc/90/47/00/584904700.db2.gz OYIGJNWRGLGXJC-LBPRGKRZSA-N 2 0 269.393 -0.901 20 0 CBADRP C[C@@H]1CN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000903918398 584904754 /nfs/dbraw/zinc/90/47/54/584904754.db2.gz YLCLXAWQWKVHNO-NQBHXWOUSA-N 2 0 264.377 -0.018 20 0 CBADRP CC(C)[C@H](C[NH3+])C[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000903970020 584905367 /nfs/dbraw/zinc/90/53/67/584905367.db2.gz OWTYDVLIODCSRL-NEPJUHHUSA-N 2 0 277.434 -0.416 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC1(C[NH3+])CC1)C2 ZINC000903976788 584905559 /nfs/dbraw/zinc/90/55/59/584905559.db2.gz APKFSEFJQDAAOA-WDMOLILDSA-N 3 0 267.373 -0.062 20 0 CBADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCO)C1)[NH+](C)C ZINC000969844637 614188896 /nfs/dbraw/zinc/18/88/96/614188896.db2.gz MPALVSQHUSUERW-VXGBXAGGSA-N 2 0 257.378 -0.245 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000969675232 614649444 /nfs/dbraw/zinc/64/94/44/614649444.db2.gz RNZMBCSBMSWAPP-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941344440 615087675 /nfs/dbraw/zinc/08/76/75/615087675.db2.gz INEDDSFCPZKLCT-CQSZACIVSA-N 2 0 280.416 -0.071 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCO)C1)[NH+](C)C ZINC000972355795 615374140 /nfs/dbraw/zinc/37/41/40/615374140.db2.gz ZTVNOVHTVAJSBS-NEPJUHHUSA-N 2 0 257.378 -0.148 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C1)[NH+](C)C ZINC000969992284 615374672 /nfs/dbraw/zinc/37/46/72/615374672.db2.gz UVYGIGALZHNAEE-YPMHNXCESA-N 2 0 294.403 -0.154 20 0 CBADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1)C(N)=O ZINC000969077215 615537787 /nfs/dbraw/zinc/53/77/87/615537787.db2.gz LVSQURNTYUWZGA-IJLUTSLNSA-N 2 0 284.404 -0.219 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1)[NH+](C)C ZINC000969074661 615603073 /nfs/dbraw/zinc/60/30/73/615603073.db2.gz NCVNEOCIKBBMTI-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC000969074615 615603167 /nfs/dbraw/zinc/60/31/67/615603167.db2.gz LANRRYMPFWGQQT-HBNTYKKESA-N 2 0 270.377 -0.609 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)CCC1 ZINC000968907051 615841258 /nfs/dbraw/zinc/84/12/58/615841258.db2.gz CMUORRYMYGQNMM-SNVBAGLBSA-N 2 0 268.361 -0.854 20 0 CBADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC000948245760 615881751 /nfs/dbraw/zinc/88/17/51/615881751.db2.gz SMCDYEREIZTZAE-QWHCGFSZSA-N 2 0 296.415 -0.121 20 0 CBADRP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000961614776 615956196 /nfs/dbraw/zinc/95/61/96/615956196.db2.gz IADUMUMBBXIZBV-ITGUQSILSA-N 2 0 293.367 -0.007 20 0 CBADRP CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962551779 615965212 /nfs/dbraw/zinc/96/52/12/615965212.db2.gz BLPQFJBMJBVJCN-JYAVWHMHSA-N 2 0 294.399 -0.783 20 0 CBADRP CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC000958414773 615965867 /nfs/dbraw/zinc/96/58/67/615965867.db2.gz KHPKXCNIDMGLBT-KZVDOYCCSA-N 2 0 294.399 -0.785 20 0 CBADRP C[NH+](CCO)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000971689206 616044755 /nfs/dbraw/zinc/04/47/55/616044755.db2.gz GBIORISIEMHSIQ-CYBMUJFWSA-N 2 0 269.389 -0.004 20 0 CBADRP C[N@H+](CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC000968924803 616045159 /nfs/dbraw/zinc/04/51/59/616045159.db2.gz XUPLFKRORJXKMC-SNVBAGLBSA-N 2 0 268.361 -0.854 20 0 CBADRP C[N@H+](CCO)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971540081 616113061 /nfs/dbraw/zinc/11/30/61/616113061.db2.gz CEBNOKZVSVJSHI-UONOGXRCSA-N 2 0 281.400 -0.147 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC000981310791 616167356 /nfs/dbraw/zinc/16/73/56/616167356.db2.gz GVQTXOSYASZVKC-CHWSQXEVSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+]1CCC(CC(=O)N2CC[C@@H]([NH2+]CCO)C2)CC1 ZINC000970178250 616168019 /nfs/dbraw/zinc/16/80/19/616168019.db2.gz OFWJICBYJWWEAH-CYBMUJFWSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000969100241 616179705 /nfs/dbraw/zinc/17/97/05/616179705.db2.gz ZDMSREYFUUCWSS-GHMZBOCLSA-N 2 0 268.361 -0.854 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21 ZINC000960576238 616184483 /nfs/dbraw/zinc/18/44/83/616184483.db2.gz GUXMYKUQUNDVIZ-RFQIPJPRSA-N 2 0 281.400 -0.101 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000977926404 616193626 /nfs/dbraw/zinc/19/36/26/616193626.db2.gz AMWGNDAWAVDROR-FVCCEPFGSA-N 2 0 267.373 -0.633 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC000983326455 616194284 /nfs/dbraw/zinc/19/42/84/616194284.db2.gz PTMYRLWEQOHSPO-FDYHWXHSSA-N 2 0 294.399 -0.547 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000958413936 616195033 /nfs/dbraw/zinc/19/50/33/616195033.db2.gz BBMPSYMVBDVXOE-KXNHARMFSA-N 2 0 253.346 -0.881 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCO)CC1 ZINC000980839317 616209262 /nfs/dbraw/zinc/20/92/62/616209262.db2.gz DLKQVGRHKKNVFC-LBPRGKRZSA-N 2 0 255.362 -0.393 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC000970715306 616363081 /nfs/dbraw/zinc/36/30/81/616363081.db2.gz SJZHXXBQODSPJD-QWHCGFSZSA-N 2 0 292.387 -0.580 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@]3(C2)CN(CCO)CCO3)C1 ZINC000972672885 616364107 /nfs/dbraw/zinc/36/41/07/616364107.db2.gz BPYTVVRRNFQRFE-DZGCQCFKSA-N 2 0 297.399 -0.766 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000979086401 616372920 /nfs/dbraw/zinc/37/29/20/616372920.db2.gz OKLYZMOVWLSKKY-XDQVBPFNSA-N 2 0 281.400 -0.386 20 0 CBADRP COCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374807 616458600 /nfs/dbraw/zinc/45/86/00/616458600.db2.gz OOZNJJCYWFFXOP-KGLIPLIRSA-N 2 0 299.415 -0.617 20 0 CBADRP COCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979047144 616461936 /nfs/dbraw/zinc/46/19/36/616461936.db2.gz FCHKCKJXTPURMP-SYQHCUMBSA-N 2 0 281.400 -0.122 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948039942 616613704 /nfs/dbraw/zinc/61/37/04/616613704.db2.gz LQVAJVGXWXROQT-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000311025521 656145198 /nfs/dbraw/zinc/14/51/98/656145198.db2.gz MLGDABFEZULGIQ-XQQFMLRXSA-N 2 0 259.394 -0.405 20 0 CBADRP C[NH2+][C@@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905328899 656349192 /nfs/dbraw/zinc/34/91/92/656349192.db2.gz DDLIZWIFIJKSFG-LLVKDONJSA-N 2 0 261.391 -0.391 20 0 CBADRP CCO[C@H](CNS(=O)(=O)CCC[NH+](C)C)C[NH+](C)C ZINC000921634851 657926530 /nfs/dbraw/zinc/92/65/30/657926530.db2.gz USTAWADMIDTJDQ-GFCCVEGCSA-N 2 0 295.449 -0.176 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CC[NH2+]CCC12CCC2 ZINC000923673951 658393599 /nfs/dbraw/zinc/39/35/99/658393599.db2.gz IPHRMOCJFWKMDF-UHFFFAOYSA-N 2 0 259.375 -0.494 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923677230 658394718 /nfs/dbraw/zinc/39/47/18/658394718.db2.gz GJJXVMUKDRXBIL-NSHDSACASA-N 2 0 276.406 -0.790 20 0 CBADRP COCCC1(NS(=O)(=O)C2C[NH2+]C2)CC[NH2+]CC1 ZINC000923675278 658394794 /nfs/dbraw/zinc/39/47/94/658394794.db2.gz VCCASRYGGFDZMY-UHFFFAOYSA-N 2 0 277.390 -0.964 20 0 CBADRP O=S(=O)(NC[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000923673738 658395434 /nfs/dbraw/zinc/39/54/34/658395434.db2.gz KBPLJTSWNNCJHJ-NXEZZACHSA-N 2 0 297.371 -0.097 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000923674950 658395603 /nfs/dbraw/zinc/39/56/03/658395603.db2.gz WEHNYPCKXRQISW-IJLUTSLNSA-N 2 0 275.418 -0.015 20 0 CBADRP CC1(C)CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000923678285 658396351 /nfs/dbraw/zinc/39/63/51/658396351.db2.gz VTYGXLCQJLOGDP-NXEZZACHSA-N 2 0 261.391 -0.263 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH2+]C[C@@H]1C(F)F ZINC000923352611 658223999 /nfs/dbraw/zinc/22/39/99/658223999.db2.gz PFNJTEANGKFHQI-GHMZBOCLSA-N 2 0 281.347 -0.536 20 0 CBADRP [NH3+]CC(C[NH3+])NCC(=O)NCCCc1ccccc1 ZINC000923352672 658224306 /nfs/dbraw/zinc/22/43/06/658224306.db2.gz QGAUQLPHDXFSRI-UHFFFAOYSA-N 2 0 264.373 -0.389 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923350967 658224813 /nfs/dbraw/zinc/22/48/13/658224813.db2.gz JNNQATZJOFOOOF-VXGBXAGGSA-N 2 0 283.372 -0.798 20 0 CBADRP Cc1ccccc1CCNC(=O)[C@H](C)NC(C[NH3+])C[NH3+] ZINC000923352297 658224935 /nfs/dbraw/zinc/22/49/35/658224935.db2.gz UAIGALICDWNPCW-LBPRGKRZSA-N 2 0 278.400 -0.082 20 0 CBADRP [NH3+]CC(C[NH3+])NCC(=O)NCCC1CCCCC1 ZINC000923351375 658225995 /nfs/dbraw/zinc/22/59/95/658225995.db2.gz JVRXMQJEMXCOFQ-UHFFFAOYSA-N 2 0 256.394 -0.051 20 0 CBADRP CCNC(=O)NC(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923455824 658285905 /nfs/dbraw/zinc/28/59/05/658285905.db2.gz MXOANPBIHWEMEE-LLVKDONJSA-N 2 0 298.387 -0.338 20 0 CBADRP COC(=O)CC1(CN2CC[NH2+]CC[NH2+]CC2)CC1 ZINC000923459406 658286380 /nfs/dbraw/zinc/28/63/80/658286380.db2.gz IFIDSUWNNJWUST-UHFFFAOYSA-N 2 0 255.362 -0.176 20 0 CBADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC(=O)N1CCOCC1)CC2 ZINC000923456398 658286634 /nfs/dbraw/zinc/28/66/34/658286634.db2.gz DTHAYQCVUUUYMT-CYBMUJFWSA-N 2 0 297.399 -0.325 20 0 CBADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC(=O)N1CCOCC1)CC2 ZINC000923456399 658287971 /nfs/dbraw/zinc/28/79/71/658287971.db2.gz DTHAYQCVUUUYMT-ZDUSSCGKSA-N 2 0 297.399 -0.325 20 0 CBADRP [NH3+]CCOCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451695 658288408 /nfs/dbraw/zinc/28/84/08/658288408.db2.gz PQESEWZDHHPZBW-LBPRGKRZSA-N 3 0 257.378 -0.209 20 0 CBADRP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923487221 658305679 /nfs/dbraw/zinc/30/56/79/658305679.db2.gz BCYDHZMWPPVDIR-MNOVXSKESA-N 2 0 286.376 -0.482 20 0 CBADRP O=S(=O)(NC1CC[NH+](CC2CC2)CC1)C1C[NH2+]C1 ZINC000923592592 658343981 /nfs/dbraw/zinc/34/39/81/658343981.db2.gz RFNYECCRZOGGQQ-UHFFFAOYSA-N 2 0 273.402 -0.248 20 0 CBADRP CC1(C)CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC000923678293 658398131 /nfs/dbraw/zinc/39/81/31/658398131.db2.gz VTYGXLCQJLOGDP-ZJUUUORDSA-N 2 0 261.391 -0.263 20 0 CBADRP O=S(=O)(NCc1cn2c(n1)CCCC2)N1CC[NH2+]CC1 ZINC000923602421 658347277 /nfs/dbraw/zinc/34/72/77/658347277.db2.gz AQQCKQZTJHQHSA-UHFFFAOYSA-N 2 0 299.400 -0.541 20 0 CBADRP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)C1C[NH2+]C1 ZINC000923622401 658358565 /nfs/dbraw/zinc/35/85/65/658358565.db2.gz XOWFGOBFVVEDFQ-WDEREUQCSA-N 2 0 273.402 -0.153 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923637696 658367925 /nfs/dbraw/zinc/36/79/25/658367925.db2.gz ZNDNVEFVXGBNLX-GMTAPVOTSA-N 2 0 261.391 -0.072 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923639448 658368180 /nfs/dbraw/zinc/36/81/80/658368180.db2.gz NGHONZAOFGJXLO-VWYCJHECSA-N 2 0 261.391 -0.344 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923639446 658368426 /nfs/dbraw/zinc/36/84/26/658368426.db2.gz NGHONZAOFGJXLO-MXWKQRLJSA-N 2 0 261.391 -0.344 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923639131 658368994 /nfs/dbraw/zinc/36/89/94/658368994.db2.gz ZIKMWWIRWIXMHQ-OUAUKWLOSA-N 2 0 261.391 -0.344 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923639132 658369595 /nfs/dbraw/zinc/36/95/95/658369595.db2.gz ZIKMWWIRWIXMHQ-VWYCJHECSA-N 2 0 261.391 -0.344 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)C3C[NH2+]C3)C[C@H]21 ZINC000923637824 658369840 /nfs/dbraw/zinc/36/98/40/658369840.db2.gz UQDPYVNHHCIWEQ-FBIMIBRVSA-N 2 0 259.375 -0.653 20 0 CBADRP CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923640835 658370776 /nfs/dbraw/zinc/37/07/76/658370776.db2.gz HUNAEPPSQBCEGR-SNVBAGLBSA-N 2 0 276.406 -0.886 20 0 CBADRP O=S(=O)(N[C@@H]1CCCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000923640905 658371324 /nfs/dbraw/zinc/37/13/24/658371324.db2.gz IXUBEVVLHXOGBV-MNOVXSKESA-N 2 0 261.391 -0.200 20 0 CBADRP CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923640609 658371730 /nfs/dbraw/zinc/37/17/30/658371730.db2.gz LSBHAEFIFXFIOC-MNOVXSKESA-N 2 0 261.391 -0.263 20 0 CBADRP CN(CC[NH+]1CCCCC1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923652897 658378371 /nfs/dbraw/zinc/37/83/71/658378371.db2.gz UCZLXLNMASXWNQ-UHFFFAOYSA-N 2 0 290.433 -0.446 20 0 CBADRP O=S(=O)(NCCC1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000923653438 658379460 /nfs/dbraw/zinc/37/94/60/658379460.db2.gz ZQVIJTDHUICVAN-UHFFFAOYSA-N 2 0 276.406 -0.884 20 0 CBADRP [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923652777 658379961 /nfs/dbraw/zinc/37/99/61/658379961.db2.gz NZOJNYLBEIUFNM-ZDUSSCGKSA-N 2 0 281.381 -0.154 20 0 CBADRP C[NH+](C)C[C@H]1NC(=O)N(CC2([NH+](C)C)CCC2)C1=O ZINC000924668517 658631715 /nfs/dbraw/zinc/63/17/15/658631715.db2.gz QXTCOCHZSWQFDJ-SNVBAGLBSA-N 2 0 268.361 -0.047 20 0 CBADRP CC[N@@H+]1CC[C@H](N2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000925320972 658825204 /nfs/dbraw/zinc/82/52/04/658825204.db2.gz IGDGVEIGBIUPAM-VHSXEESVSA-N 2 0 254.334 -0.437 20 0 CBADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000925669225 658864295 /nfs/dbraw/zinc/86/42/95/658864295.db2.gz RGWJCLJZTDEYGQ-LLVKDONJSA-N 2 0 253.350 -0.109 20 0 CBADRP COC(=O)c1cn(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)nn1 ZINC000925667353 658864563 /nfs/dbraw/zinc/86/45/63/658864563.db2.gz QNHMYPAKPYFNEX-GHMZBOCLSA-N 2 0 279.344 -0.076 20 0 CBADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000925789568 658872076 /nfs/dbraw/zinc/87/20/76/658872076.db2.gz WDXCAKACTOTVRD-JHJVBQTASA-N 2 0 289.445 -0.259 20 0 CBADRP C[C@@H]1[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+]1C ZINC000928449331 659026695 /nfs/dbraw/zinc/02/66/95/659026695.db2.gz QCDDMKNDAWHFOK-JHJVBQTASA-N 2 0 296.415 -0.395 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000928551129 659035616 /nfs/dbraw/zinc/03/56/16/659035616.db2.gz LDUIUUSRLUSBKY-VXGBXAGGSA-N 2 0 253.346 -0.473 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1CCN1C)C[NH+]1CCCC1 ZINC000929565168 659141028 /nfs/dbraw/zinc/14/10/28/659141028.db2.gz QCGSURJYUVFZED-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000930597234 659310317 /nfs/dbraw/zinc/31/03/17/659310317.db2.gz GUIUDQVOSQSZEY-KFWWJZLASA-N 2 0 283.416 -0.152 20 0 CBADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC000931434233 659462014 /nfs/dbraw/zinc/46/20/14/659462014.db2.gz QZEZCXDJSZNUOW-NEPJUHHUSA-N 2 0 280.372 -0.188 20 0 CBADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)C[C@]3(O)CCOC3)C[C@@H]2C1 ZINC000931442473 659462356 /nfs/dbraw/zinc/46/23/56/659462356.db2.gz IESBNEVXKKHHEM-CBBWQLFWSA-N 2 0 284.400 -0.228 20 0 CBADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)C[C@]3(O)CCOC3)C[C@@H]2C1 ZINC000931442474 659463939 /nfs/dbraw/zinc/46/39/39/659463939.db2.gz IESBNEVXKKHHEM-LXTVHRRPSA-N 2 0 284.400 -0.228 20 0 CBADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)C[C@@]3(O)CCOC3)C[C@@H]2C1 ZINC000931442472 659466168 /nfs/dbraw/zinc/46/61/68/659466168.db2.gz IESBNEVXKKHHEM-BARDWOONSA-N 2 0 284.400 -0.228 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[NH2+]CCO1)[NH+]1CCCCC1 ZINC000043799587 656009316 /nfs/dbraw/zinc/00/93/16/656009316.db2.gz NREKQHYEWACOTK-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000062966185 656033614 /nfs/dbraw/zinc/03/36/14/656033614.db2.gz NJBSYPXPOSPTTE-LBPRGKRZSA-N 2 0 290.433 -0.448 20 0 CBADRP CCOC[C@H](O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000069280081 656039025 /nfs/dbraw/zinc/03/90/25/656039025.db2.gz GWFXGHIAGSSXCS-NWDGAFQWSA-N 2 0 273.377 -0.829 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC[S@](C)=O ZINC000074568268 656043326 /nfs/dbraw/zinc/04/33/26/656043326.db2.gz XWODKGAFJHXZNH-LJQANCHMSA-N 2 0 292.449 -0.500 20 0 CBADRP [NH2+]=C(NCCCN1CCOCC1)NCc1ccon1 ZINC000083054083 656050788 /nfs/dbraw/zinc/05/07/88/656050788.db2.gz OEFSPQXEDFQRFZ-UHFFFAOYSA-N 2 0 267.333 -0.199 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC[NH2+]CC1 ZINC000091668588 656059119 /nfs/dbraw/zinc/05/91/19/656059119.db2.gz OCCUYDGQRPMBBO-OLZOCXBDSA-N 2 0 267.373 -0.035 20 0 CBADRP COC1(C(=O)NCC[NH+]2CCCC2)CC[NH2+]CC1 ZINC000178665947 656088738 /nfs/dbraw/zinc/08/87/38/656088738.db2.gz OWPBEFUWXGMCSX-UHFFFAOYSA-N 2 0 255.362 -0.033 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000220260800 656105218 /nfs/dbraw/zinc/10/52/18/656105218.db2.gz WACVOYUEHVPLDC-NSHDSACASA-N 2 0 278.422 -0.544 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000227127321 656108108 /nfs/dbraw/zinc/10/81/08/656108108.db2.gz VUEVZLIZBRUTGQ-NEPJUHHUSA-N 2 0 267.373 -0.035 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000232122304 656113662 /nfs/dbraw/zinc/11/36/62/656113662.db2.gz KSPAEKJXLRDOKD-GRYCIOLGSA-N 2 0 271.361 -0.670 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H](C)C[NH2+]C)CC1 ZINC000236845017 656115863 /nfs/dbraw/zinc/11/58/63/656115863.db2.gz VYTWJRMHYLWFFH-GFCCVEGCSA-N 2 0 256.394 -0.404 20 0 CBADRP C[C@H](O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000251078968 656122621 /nfs/dbraw/zinc/12/26/21/656122621.db2.gz HDFLOFIZVCCJGR-YNEHKIRRSA-N 2 0 269.389 -0.053 20 0 CBADRP O[C@H](CNC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C[NH+]1CCCC1 ZINC000252544189 656123350 /nfs/dbraw/zinc/12/33/50/656123350.db2.gz HWDXRDDAWKBHDY-RRFJBIMHSA-N 2 0 283.416 -0.104 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261804318 656126459 /nfs/dbraw/zinc/12/64/59/656126459.db2.gz HCZURGLBOVBDOR-UWVGGRQHSA-N 2 0 296.337 -0.078 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000261885099 656127191 /nfs/dbraw/zinc/12/71/91/656127191.db2.gz SHUSRQJBUQCEPJ-NEPJUHHUSA-N 2 0 255.362 -0.096 20 0 CBADRP CC(=O)NC[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262274129 656130092 /nfs/dbraw/zinc/13/00/92/656130092.db2.gz YQTCMZNKFMJBIU-AWEZNQCLSA-N 2 0 296.415 -0.344 20 0 CBADRP CO[C@@H]1COCC[C@H]1[N@H+](C)CCN1CC[NH2+]CC1 ZINC000310863051 656144036 /nfs/dbraw/zinc/14/40/36/656144036.db2.gz OHVFWYFQPKRIFF-CHWSQXEVSA-N 2 0 257.378 -0.373 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000310771521 656144048 /nfs/dbraw/zinc/14/40/48/656144048.db2.gz UGFMNPZIRBQHJF-RYUDHWBXSA-N 2 0 254.378 -0.524 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000311025514 656145151 /nfs/dbraw/zinc/14/51/51/656145151.db2.gz MLGDABFEZULGIQ-AGIUHOORSA-N 2 0 259.394 -0.405 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000311016204 656145226 /nfs/dbraw/zinc/14/52/26/656145226.db2.gz KUJUDAKTQPRHEE-UPJWGTAASA-N 2 0 259.394 -0.263 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCCC[C@H]1C[NH3+] ZINC000311183502 656145548 /nfs/dbraw/zinc/14/55/48/656145548.db2.gz ZYXDVRMQXZWBAB-STQMWFEESA-N 2 0 259.394 -0.261 20 0 CBADRP CC[C@@H]1CN(C[C@H](O)C[N@H+](C)CCOC)CC[C@H]1[NH3+] ZINC000311686260 656146098 /nfs/dbraw/zinc/14/60/98/656146098.db2.gz JQTGMAMUYBJOEV-MGPQQGTHSA-N 2 0 273.421 -0.015 20 0 CBADRP CC[C@@H]1CN(C[C@H](O)C[N@H+](C)CCOC)CC[C@@H]1[NH3+] ZINC000311686259 656146365 /nfs/dbraw/zinc/14/63/65/656146365.db2.gz JQTGMAMUYBJOEV-MCIONIFRSA-N 2 0 273.421 -0.015 20 0 CBADRP [NH3+]C[C@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CCCO1 ZINC000313342616 656147825 /nfs/dbraw/zinc/14/78/25/656147825.db2.gz GTYICFXMLCJACI-STQMWFEESA-N 2 0 257.378 -0.507 20 0 CBADRP O=C1[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCN1C1CCOCC1 ZINC000359307712 656165278 /nfs/dbraw/zinc/16/52/78/656165278.db2.gz OBYJICZUJYOSSZ-YRGRVCCFSA-N 2 0 279.384 -0.083 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419739306 656167099 /nfs/dbraw/zinc/16/70/99/656167099.db2.gz WBSSVAQMOOGZPF-HNNXBMFYSA-N 2 0 296.415 -0.201 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702065249 656179777 /nfs/dbraw/zinc/17/97/77/656179777.db2.gz NVHDXAHMWABRGG-MELADBBJSA-N 2 0 271.405 -0.533 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000702348546 656180260 /nfs/dbraw/zinc/18/02/60/656180260.db2.gz CPJWSAGXHARJIQ-QWRGUYRKSA-N 2 0 256.394 -0.136 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(S(=O)(=O)[C@@H]3CCC[NH2+]C3)C[C@]2(C)C1 ZINC000702469901 656181623 /nfs/dbraw/zinc/18/16/23/656181623.db2.gz IZWCSUPNEJNXDO-UPJWGTAASA-N 2 0 287.429 -0.048 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH2+][C@@H](C(C)C)C1 ZINC000704744455 656185358 /nfs/dbraw/zinc/18/53/58/656185358.db2.gz PGOREWJCDIBPPM-UONOGXRCSA-N 2 0 273.421 -0.145 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000705918370 656187415 /nfs/dbraw/zinc/18/74/15/656187415.db2.gz NIPDZSFPFOASMS-YNEHKIRRSA-N 3 0 270.421 -0.079 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000705889079 656187569 /nfs/dbraw/zinc/18/75/69/656187569.db2.gz LBKLOUZFUSNLMB-YNEHKIRRSA-N 3 0 270.421 -0.221 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000705914288 656187580 /nfs/dbraw/zinc/18/75/80/656187580.db2.gz XOEGIBWVYUXTLP-IJLUTSLNSA-N 3 0 256.394 -0.469 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC000708547801 656193475 /nfs/dbraw/zinc/19/34/75/656193475.db2.gz MQELZUIKQUYVHI-NWDGAFQWSA-N 2 0 255.362 -0.489 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708853236 656194951 /nfs/dbraw/zinc/19/49/51/656194951.db2.gz QKQPGCYZVKIOMP-UPJWGTAASA-N 2 0 259.394 -0.548 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000710128310 656196996 /nfs/dbraw/zinc/19/69/96/656196996.db2.gz PEUSHDNCMFPIRT-IJLUTSLNSA-N 2 0 267.373 -0.036 20 0 CBADRP CNC(=O)NC(=O)CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710570677 656198516 /nfs/dbraw/zinc/19/85/16/656198516.db2.gz MYMDPYAAWRSKTP-UHFFFAOYSA-N 2 0 286.376 -0.779 20 0 CBADRP C[NH+](C)CC1(O)CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000710572022 656198866 /nfs/dbraw/zinc/19/88/66/656198866.db2.gz YJFXWEMKVCQQDO-AWEZNQCLSA-N 2 0 285.432 -0.170 20 0 CBADRP CCOC[C@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710627739 656199244 /nfs/dbraw/zinc/19/92/44/656199244.db2.gz RRWJVVJKFDXSBW-GFCCVEGCSA-N 2 0 260.378 -0.228 20 0 CBADRP COC[C@]1(C(=O)NCCC[NH+](C)C)C[NH2+]CCO1 ZINC000710713279 656200005 /nfs/dbraw/zinc/20/00/05/656200005.db2.gz VGLBGFPGKMXXRS-LBPRGKRZSA-N 2 0 259.350 -0.941 20 0 CBADRP COC[C@@]1(C(=O)NCC[NH+]2CCCCC2)C[NH2+]CCO1 ZINC000710782926 656201914 /nfs/dbraw/zinc/20/19/14/656201914.db2.gz JJSLENYULYCHQE-CQSZACIVSA-N 2 0 285.388 -0.407 20 0 CBADRP COC[C@@]1(C(=O)NCC[N@H+](C)C(C)C)C[NH2+]CCO1 ZINC000710839517 656204209 /nfs/dbraw/zinc/20/42/09/656204209.db2.gz RNDOFZIQWUSJEP-CYBMUJFWSA-N 2 0 273.377 -0.552 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710828220 656204270 /nfs/dbraw/zinc/20/42/70/656204270.db2.gz LNYFTHWZHWWKGI-TZMCWYRMSA-N 2 0 287.404 -0.162 20 0 CBADRP COC[C@]1(C(=O)N[C@H](C)CC[NH+](C)C)C[NH2+]CCO1 ZINC000710840280 656204300 /nfs/dbraw/zinc/20/43/00/656204300.db2.gz YJNJUVJXJNNRLD-YPMHNXCESA-N 2 0 273.377 -0.552 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000711270163 656206954 /nfs/dbraw/zinc/20/69/54/656206954.db2.gz BKITUCOBQHKBKM-ZDUSSCGKSA-N 2 0 282.432 -0.014 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCOC2CC2)C1 ZINC000711766995 656209732 /nfs/dbraw/zinc/20/97/32/656209732.db2.gz YJYZDLSASSLRDE-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH+](C)CC1(O)CC[NH+](CCn2cnnn2)CC1 ZINC000712611885 656210453 /nfs/dbraw/zinc/21/04/53/656210453.db2.gz AATOIQMTFFTFMA-UHFFFAOYSA-N 2 0 254.338 -0.938 20 0 CBADRP C[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)CCC1(C)C ZINC000712669326 656211088 /nfs/dbraw/zinc/21/10/88/656211088.db2.gz BAJMKEZZKKOKDC-LLVKDONJSA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000715129761 656218744 /nfs/dbraw/zinc/21/87/44/656218744.db2.gz TTXULVCTGCUPTK-QWRGUYRKSA-N 2 0 290.358 -0.420 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)C2C[NH2+]C2)C1 ZINC000715540944 656220131 /nfs/dbraw/zinc/22/01/31/656220131.db2.gz URWQDUIGUPAELQ-UWVGGRQHSA-N 2 0 261.391 -0.250 20 0 CBADRP O=C(N1CCC([NH2+]CCO)CC1)C12CC[NH+](CC1)C2 ZINC000715866492 656220637 /nfs/dbraw/zinc/22/06/37/656220637.db2.gz VJXVQFPNOKKVSA-UHFFFAOYSA-N 2 0 267.373 -0.345 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)C12CC[NH+](CC1)C2 ZINC000715837775 656220831 /nfs/dbraw/zinc/22/08/31/656220831.db2.gz ODIWNJHKGULBBA-LBPRGKRZSA-N 2 0 255.362 -0.489 20 0 CBADRP O=C(N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C12CC[NH+](CC1)C2 ZINC000715863927 656220966 /nfs/dbraw/zinc/22/09/66/656220966.db2.gz LMYORDDMKZFZBP-NWDGAFQWSA-N 2 0 265.357 -0.640 20 0 CBADRP C[NH+]1CCN(CCNC(=O)CC[NH2+]CC2CC2)CC1 ZINC000717166132 656226053 /nfs/dbraw/zinc/22/60/53/656226053.db2.gz OXAIENWFOVTBHJ-UHFFFAOYSA-N 2 0 268.405 -0.260 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)CO[C@@H]1CCC[NH2+]C1)C2 ZINC000877380223 656246229 /nfs/dbraw/zinc/24/62/29/656246229.db2.gz XXXPBAKAVOSIHE-OUCADQQQSA-N 2 0 267.373 -0.177 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877399655 656247238 /nfs/dbraw/zinc/24/72/38/656247238.db2.gz OMSPJCQLMSHVRY-NQBHXWOUSA-N 2 0 253.346 -0.234 20 0 CBADRP Cn1ncnc1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877669868 656248528 /nfs/dbraw/zinc/24/85/28/656248528.db2.gz CLWQLAVHFULNLX-CHWSQXEVSA-N 2 0 280.420 -0.014 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(CC)[C@@H]2CC[NH2+]C2)C1 ZINC000884787053 656255023 /nfs/dbraw/zinc/25/50/23/656255023.db2.gz FJDHHAAOQPWVPU-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884787655 656255039 /nfs/dbraw/zinc/25/50/39/656255039.db2.gz YKWQAAXGEZAPIA-XQQFMLRXSA-N 2 0 294.399 -0.450 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC[C@H]21 ZINC000885192864 656259839 /nfs/dbraw/zinc/25/98/39/656259839.db2.gz KLJVVFVYTPKPMG-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885194755 656260246 /nfs/dbraw/zinc/26/02/46/656260246.db2.gz DCMVEVYCFUSZRJ-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000890066194 656270166 /nfs/dbraw/zinc/27/01/66/656270166.db2.gz QFZXSDFJIOATAI-WCQYABFASA-N 2 0 272.393 -0.308 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000892439268 656271461 /nfs/dbraw/zinc/27/14/61/656271461.db2.gz MHZXZICIAOUBJP-YRGRVCCFSA-N 2 0 284.404 -0.130 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895713971 656283369 /nfs/dbraw/zinc/28/33/69/656283369.db2.gz XOIMMLHEIKLFQU-CQSZACIVSA-N 2 0 299.415 -0.208 20 0 CBADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)[C@H]1C[NH+](C)CCN1C ZINC000896560801 656289211 /nfs/dbraw/zinc/28/92/11/656289211.db2.gz TVRLEDPSCZTCHG-RWMBFGLXSA-N 2 0 268.405 -0.311 20 0 CBADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)C[C@H]21 ZINC000897909517 656295721 /nfs/dbraw/zinc/29/57/21/656295721.db2.gz VVUPWMLXHOYRAR-IGQOVBAYSA-N 2 0 279.384 -0.275 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC([NH+]3CCCC3)C2)CC1 ZINC000898608812 656300564 /nfs/dbraw/zinc/30/05/64/656300564.db2.gz GNKJUGVMEZRAGN-UHFFFAOYSA-N 2 0 280.416 -0.070 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(C(C)(C)CO)CC1 ZINC000901227939 656317673 /nfs/dbraw/zinc/31/76/73/656317673.db2.gz JRDGBDGDFUZJQL-SWLSCSKDSA-N 2 0 299.415 -0.643 20 0 CBADRP CN(C)C(=O)NCC[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903756049 656322532 /nfs/dbraw/zinc/32/25/32/656322532.db2.gz ONZTXJRYPPOGSI-GXTWGEPZSA-N 2 0 284.404 -0.042 20 0 CBADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000904316581 656324247 /nfs/dbraw/zinc/32/42/47/656324247.db2.gz QEGBUUQALMIKDE-OKILXGFUSA-N 3 0 280.416 -0.036 20 0 CBADRP c1cc(N2CC[NH2+]CC2)oc1C[NH2+]C[C@H]1COCCN1 ZINC000904380855 656325694 /nfs/dbraw/zinc/32/56/94/656325694.db2.gz IRGWEBWSDYMMCV-LBPRGKRZSA-N 2 0 280.372 -0.233 20 0 CBADRP COCCn1cc(CN2CC[NH2+]CC[NH2+]CC2)cn1 ZINC000904397031 656325910 /nfs/dbraw/zinc/32/59/10/656325910.db2.gz WKQFPVJSGLTIIF-UHFFFAOYSA-N 2 0 267.377 -0.476 20 0 CBADRP C[C@]12C[NH+](C[C@H]3C[C@@H]([NH3+])C3)C[C@]1(C)C(=O)NC2=O ZINC000904385426 656326058 /nfs/dbraw/zinc/32/60/58/656326058.db2.gz YNGHIHXSKUSAIR-OTMMVIPVSA-N 2 0 251.330 -0.292 20 0 CBADRP C[C@]1(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)CCC[NH2+]C1 ZINC000904376641 656326245 /nfs/dbraw/zinc/32/62/45/656326245.db2.gz VUTSZYSHGYKELA-RYUDHWBXSA-N 2 0 275.418 0.000 20 0 CBADRP C[C@]1(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)CCC[NH2+]C1 ZINC000904428425 656326800 /nfs/dbraw/zinc/32/68/00/656326800.db2.gz KHOSHKMZCQKZEO-NEPJUHHUSA-N 2 0 275.418 -0.014 20 0 CBADRP Cc1c(C[C@@H](C[NH3+])CN2CCC[C@]([NH3+])(CO)C2)cnn1C ZINC000904407180 656327180 /nfs/dbraw/zinc/32/71/80/656327180.db2.gz PJXFQLXCIPCDNW-DZGCQCFKSA-N 2 0 295.431 -0.368 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000905002195 656332250 /nfs/dbraw/zinc/33/22/50/656332250.db2.gz RNVBXDSNLFKFQH-FZMZJTMJSA-N 2 0 282.388 -0.654 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000905002643 656332366 /nfs/dbraw/zinc/33/23/66/656332366.db2.gz UIJNAJULASIROG-WFASDCNBSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[NH+](CC)CCNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000905016892 656334507 /nfs/dbraw/zinc/33/45/07/656334507.db2.gz AXWBFULELGSBSM-UHFFFAOYSA-N 2 0 270.421 -0.062 20 0 CBADRP COCC[N@H+](C)CCC[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905036733 656336018 /nfs/dbraw/zinc/33/60/18/656336018.db2.gz UKVDOZSKMKGWAM-CYBMUJFWSA-N 2 0 290.404 -0.553 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@@H](O)C2(O)CCC2)C1 ZINC000905081574 656336976 /nfs/dbraw/zinc/33/69/76/656336976.db2.gz IGSKDKHIRLGVEL-QWHCGFSZSA-N 2 0 299.415 -0.561 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C[C@@H](O)C2(O)CCC2)C1 ZINC000905081572 656337395 /nfs/dbraw/zinc/33/73/95/656337395.db2.gz IGSKDKHIRLGVEL-CHWSQXEVSA-N 2 0 299.415 -0.561 20 0 CBADRP C[NH+](C)CCOCC[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905203014 656345454 /nfs/dbraw/zinc/34/54/54/656345454.db2.gz UZAAGLXJJKCNSL-STQMWFEESA-N 2 0 276.377 -0.943 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NCC[C@@H]1CC[NH2+]C1 ZINC000905328532 656348899 /nfs/dbraw/zinc/34/88/99/656348899.db2.gz BKHOKIRKILADHV-NSHDSACASA-N 2 0 275.418 -0.095 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CCO1 ZINC000905330586 656349376 /nfs/dbraw/zinc/34/93/76/656349376.db2.gz URBNMZBNRDDEFZ-JQWIXIFHSA-N 2 0 291.417 -0.636 20 0 CBADRP C[NH2+]C[C@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905331028 656349447 /nfs/dbraw/zinc/34/94/47/656349447.db2.gz XUGJEIOGDMYDCV-GFCCVEGCSA-N 2 0 275.418 -0.143 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000905342638 656350415 /nfs/dbraw/zinc/35/04/15/656350415.db2.gz DCKWUCOUGJKNFN-KOLCDFICSA-N 2 0 261.391 -0.405 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000905342953 656350424 /nfs/dbraw/zinc/35/04/24/656350424.db2.gz DHEHRGKDYOJZMD-TXEJJXNPSA-N 2 0 273.402 -0.533 20 0 CBADRP CN(C)C[C@H](O)C[NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1 ZINC000905345099 656351122 /nfs/dbraw/zinc/35/11/22/656351122.db2.gz LIAKGMSFVCPUJO-RRFJBIMHSA-N 2 0 282.384 -0.017 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905344999 656351249 /nfs/dbraw/zinc/35/12/49/656351249.db2.gz SUAHIZKTAQBWDC-JQWIXIFHSA-N 2 0 275.418 -0.097 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905358035 656353384 /nfs/dbraw/zinc/35/33/84/656353384.db2.gz CYBUTHFRAUCHEF-KOLCDFICSA-N 2 0 261.391 -0.263 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NCC12CC(C1)C[NH2+]2 ZINC000905362834 656353623 /nfs/dbraw/zinc/35/36/23/656353623.db2.gz VVZOLBPRGUMERU-UHFFFAOYSA-N 2 0 273.402 -0.343 20 0 CBADRP CCN1CC[C@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000905443005 656357341 /nfs/dbraw/zinc/35/73/41/656357341.db2.gz XERHGXUEPZWYBG-UONOGXRCSA-N 2 0 270.421 -0.722 20 0 CBADRP OC[C@H](C[C@H]1CCCO1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000905462889 656358582 /nfs/dbraw/zinc/35/85/82/656358582.db2.gz XFJBJKLESARKER-MELADBBJSA-N 2 0 272.389 -0.037 20 0 CBADRP OC[C@H](C[C@@H]1CCCO1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000905462888 656358959 /nfs/dbraw/zinc/35/89/59/656358959.db2.gz XFJBJKLESARKER-IHRRRGAJSA-N 2 0 272.389 -0.037 20 0 CBADRP C[C@@H]1[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CCN1C ZINC000905539278 656360801 /nfs/dbraw/zinc/36/08/01/656360801.db2.gz CLIWAGXBKBTCSB-MCIONIFRSA-N 2 0 270.421 -0.723 20 0 CBADRP COCC[N@H+](C)CCNC(=O)C1CN(C)CC[NH+](C)C1 ZINC000906520244 656390041 /nfs/dbraw/zinc/39/00/41/656390041.db2.gz ALJMFARHRBFXAQ-UHFFFAOYSA-N 2 0 286.420 -0.826 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000906692143 656397937 /nfs/dbraw/zinc/39/79/37/656397937.db2.gz IXJSSCLGGISWGD-ZDUSSCGKSA-N 2 0 282.432 -0.110 20 0 CBADRP C[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)CC1 ZINC000996249653 656405266 /nfs/dbraw/zinc/40/52/66/656405266.db2.gz QGADODCUWLAZIX-GFCCVEGCSA-N 2 0 296.415 -0.360 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000996614396 656446675 /nfs/dbraw/zinc/44/66/75/656446675.db2.gz NCBVPEOCHISPKC-GHMZBOCLSA-N 2 0 282.388 -0.750 20 0 CBADRP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCO ZINC000996612492 656447225 /nfs/dbraw/zinc/44/72/25/656447225.db2.gz RCRVDPMHAJSPMG-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1)C(N)=O ZINC000996723366 656453971 /nfs/dbraw/zinc/45/39/71/656453971.db2.gz MAOPKGOLEDGFJK-WCQYABFASA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1)C(N)=O ZINC000996723363 656454699 /nfs/dbraw/zinc/45/46/99/656454699.db2.gz MAOPKGOLEDGFJK-DGCLKSJQSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[C@@H](C(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1)[NH+](C)C ZINC000997010187 656463739 /nfs/dbraw/zinc/46/37/39/656463739.db2.gz RDQVUSAPUZKHSU-STQMWFEESA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1)C(N)=O ZINC000997008011 656463890 /nfs/dbraw/zinc/46/38/90/656463890.db2.gz SVSWAPVATGKIHB-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000997183360 656469507 /nfs/dbraw/zinc/46/95/07/656469507.db2.gz JPWQLJMCGKXUFZ-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP NC(=O)C[NH2+]C1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC000997219869 656469599 /nfs/dbraw/zinc/46/95/99/656469599.db2.gz PILOUJBVLOKXNT-HNNXBMFYSA-N 2 0 294.399 -0.462 20 0 CBADRP C[C@H]([NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1)C(N)=O ZINC000997306304 656472672 /nfs/dbraw/zinc/47/26/72/656472672.db2.gz CDXKJIDBAKRUFE-NSHDSACASA-N 2 0 282.388 -0.463 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC000997300526 656472861 /nfs/dbraw/zinc/47/28/61/656472861.db2.gz WNSXDPPHLMQSKZ-WCQYABFASA-N 2 0 294.399 -0.593 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NCCOCC[NH+](C)C)C1 ZINC000907233176 656476291 /nfs/dbraw/zinc/47/62/91/656476291.db2.gz JIPJLSRGPKXGKQ-UHFFFAOYSA-N 2 0 286.420 -0.826 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC(N)=O)CC1 ZINC000997422404 656476803 /nfs/dbraw/zinc/47/68/03/656476803.db2.gz XSFOXBTUIOTBGF-DGCLKSJQSA-N 2 0 296.415 -0.360 20 0 CBADRP Cn1cncc1CCNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000907308512 656486144 /nfs/dbraw/zinc/48/61/44/656486144.db2.gz UPKYKNKSWSFCOJ-CQSZACIVSA-N 2 0 280.372 -0.074 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000907448488 656507952 /nfs/dbraw/zinc/50/79/52/656507952.db2.gz OGRDWQAEGICSQD-GXTWGEPZSA-N 2 0 269.389 -0.006 20 0 CBADRP CC(C)N1CC(NC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000907514298 656518848 /nfs/dbraw/zinc/51/88/48/656518848.db2.gz DYBRXCNXFPSTMT-UHFFFAOYSA-N 2 0 268.405 -0.311 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCN1CCCOCC1 ZINC000907614412 656541279 /nfs/dbraw/zinc/54/12/79/656541279.db2.gz YCVIUQIIUVMAGO-TZMCWYRMSA-N 2 0 285.388 -0.720 20 0 CBADRP C[NH+]1CC2(C1)CCN(C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)C2 ZINC000907762548 656569916 /nfs/dbraw/zinc/56/99/16/656569916.db2.gz FRHHHXKHZVHNSH-AAEUAGOBSA-N 2 0 267.373 -0.394 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC000998866452 656590146 /nfs/dbraw/zinc/59/01/46/656590146.db2.gz JKHZIRCFXXTZMY-WXRRBKDZSA-N 2 0 296.415 -0.075 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000999146468 656612671 /nfs/dbraw/zinc/61/26/71/656612671.db2.gz WJGGGTFIWSTEDC-STQMWFEESA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)CC[N@@H+]1C ZINC000999197962 656615372 /nfs/dbraw/zinc/61/53/72/656615372.db2.gz ZJQDQEVAYMCJTB-JHJVBQTASA-N 2 0 269.389 -0.101 20 0 CBADRP C[N@H+](CC(=O)NC[C@@H]1C[NH+]2CCN1CCC2)C1CCC1 ZINC000908029447 656627127 /nfs/dbraw/zinc/62/71/27/656627127.db2.gz KOFMZBGATYMZMW-CQSZACIVSA-N 2 0 280.416 -0.023 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC000999490512 656631061 /nfs/dbraw/zinc/63/10/61/656631061.db2.gz QPXOTGVPAFEWLJ-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000999513259 656631959 /nfs/dbraw/zinc/63/19/59/656631959.db2.gz RSJROXANOJKGGD-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP CC1CC[NH+](CC(=O)N(C)C2CC([NH2+]CC(N)=O)C2)CC1 ZINC000999597319 656636895 /nfs/dbraw/zinc/63/68/95/656636895.db2.gz FDLASBXOMCGGHU-UHFFFAOYSA-N 2 0 296.415 -0.217 20 0 CBADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]CCO)C1 ZINC000999698628 656645922 /nfs/dbraw/zinc/64/59/22/656645922.db2.gz RMTOIDPYTVRSSZ-UHFFFAOYSA-N 2 0 267.373 -0.347 20 0 CBADRP CN(C(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC([NH2+]CC(N)=O)C1 ZINC000999760968 656650566 /nfs/dbraw/zinc/65/05/66/656650566.db2.gz WJRWOVLLNGWFSC-QOZQQMKHSA-N 2 0 294.399 -0.463 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)[NH+](C)C ZINC000908200583 656664651 /nfs/dbraw/zinc/66/46/51/656664651.db2.gz JSJDWLLVTVFQOS-AGIUHOORSA-N 2 0 269.389 -0.006 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001000080214 656688179 /nfs/dbraw/zinc/68/81/79/656688179.db2.gz FHKWHHVXBKFSHT-DGCLKSJQSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001000191603 656699715 /nfs/dbraw/zinc/69/97/15/656699715.db2.gz JXPBTDSJUSMWFM-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001000191607 656700313 /nfs/dbraw/zinc/70/03/13/656700313.db2.gz JXPBTDSJUSMWFM-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001000198850 656702577 /nfs/dbraw/zinc/70/25/77/656702577.db2.gz LMPNWRUUTBKYSX-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000908346341 656711363 /nfs/dbraw/zinc/71/13/63/656711363.db2.gz GBSZXQQCJFJCMP-OPDFLTKYSA-N 2 0 267.373 -0.396 20 0 CBADRP C[NH+]1CCC(CC(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC001000386248 656712083 /nfs/dbraw/zinc/71/20/83/656712083.db2.gz CFFZKQDNDGDIPS-CYBMUJFWSA-N 2 0 296.415 -0.216 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2CC(C[NH+](C)C)C2)C1 ZINC000908533493 656743179 /nfs/dbraw/zinc/74/31/79/656743179.db2.gz OKYPGEHZLOWGOB-UHFFFAOYSA-N 2 0 268.405 -0.500 20 0 CBADRP CC(C)[NH2+]C1(CO)CCN(C(=O)C[NH+](C)C)CC1 ZINC000908592835 656752565 /nfs/dbraw/zinc/75/25/65/656752565.db2.gz QOUXSKFUIUYTJZ-UHFFFAOYSA-N 2 0 257.378 -0.101 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001000704906 656759008 /nfs/dbraw/zinc/75/90/08/656759008.db2.gz ZYYLJBKAJVTBJB-LLVKDONJSA-N 2 0 280.372 -0.852 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001000936635 656777197 /nfs/dbraw/zinc/77/71/97/656777197.db2.gz GXYUNJUCDJEDQY-ZIAGYGMSSA-N 2 0 299.415 -0.472 20 0 CBADRP CCN1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001000979782 656780913 /nfs/dbraw/zinc/78/09/13/656780913.db2.gz TVTZBUUWNOAAKV-QWHCGFSZSA-N 2 0 285.388 -0.720 20 0 CBADRP C[C@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001001262125 656805518 /nfs/dbraw/zinc/80/55/18/656805518.db2.gz BMIFDBSHAIUPON-YPMHNXCESA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001002119489 656826921 /nfs/dbraw/zinc/82/69/21/656826921.db2.gz ARWBISMIIFQEON-AAEUAGOBSA-N 2 0 296.415 -0.360 20 0 CBADRP CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001002476091 656835257 /nfs/dbraw/zinc/83/52/57/656835257.db2.gz PPARLLIWVNOIQO-DGCLKSJQSA-N 2 0 296.415 -0.204 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000910555044 656875601 /nfs/dbraw/zinc/87/56/01/656875601.db2.gz OOURRZOHXPKCDC-SWLSCSKDSA-N 2 0 296.415 -0.584 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001003970845 656878852 /nfs/dbraw/zinc/87/88/52/656878852.db2.gz LGFUVCGWHCYNDQ-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)[NH+]1CCCCC1 ZINC000910947437 656908689 /nfs/dbraw/zinc/90/86/89/656908689.db2.gz YNGFJKYIZINGCX-FRRDWIJNSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)[NH+]1CCCCC1 ZINC000910946436 656909902 /nfs/dbraw/zinc/90/99/02/656909902.db2.gz LRIMHTQLCNTCBS-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CC1)[NH+]1CCCCC1 ZINC000910945725 656909970 /nfs/dbraw/zinc/90/99/70/656909970.db2.gz DZTRMUPCSDRRPC-LLVKDONJSA-N 2 0 282.388 -0.416 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)[NH+]1CCCCC1 ZINC000910947438 656910100 /nfs/dbraw/zinc/91/01/00/656910100.db2.gz YNGFJKYIZINGCX-JHJVBQTASA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000910957506 656911971 /nfs/dbraw/zinc/91/19/71/656911971.db2.gz KXKCGHXZRXDEMO-NSHDSACASA-N 2 0 282.388 -0.689 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000910964413 656913202 /nfs/dbraw/zinc/91/32/02/656913202.db2.gz UTXBOJCDMGNKID-FRRDWIJNSA-N 2 0 294.399 -0.404 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000910964121 656915046 /nfs/dbraw/zinc/91/50/46/656915046.db2.gz SPZQVJCINYFLAW-LBPRGKRZSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC[N@@H+]1C ZINC000911007237 656928564 /nfs/dbraw/zinc/92/85/64/656928564.db2.gz IXSCHEDDZWFYIR-NJMOYASZSA-N 2 0 294.399 -0.406 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000911007926 656928876 /nfs/dbraw/zinc/92/88/76/656928876.db2.gz LFCLZQSFQSMWNL-FVCCEPFGSA-N 2 0 296.415 -0.443 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[N@@H+]1C ZINC000911007231 656929332 /nfs/dbraw/zinc/92/93/32/656929332.db2.gz IXSCHEDDZWFYIR-JZRPKSSGSA-N 2 0 294.399 -0.406 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000911023408 656933752 /nfs/dbraw/zinc/93/37/52/656933752.db2.gz UVXGUSGKGJWFIY-CHWSQXEVSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911056662 656938437 /nfs/dbraw/zinc/93/84/37/656938437.db2.gz XQNLKFSSNZEIOU-FRRDWIJNSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911072341 656939526 /nfs/dbraw/zinc/93/95/26/656939526.db2.gz JCPCYLKHLJRQRM-UTUOFQBUSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911071567 656940007 /nfs/dbraw/zinc/94/00/07/656940007.db2.gz AIHZXEHLAGTEFB-JHJVBQTASA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000911073256 656940346 /nfs/dbraw/zinc/94/03/46/656940346.db2.gz RDCRGZBYMUBGQE-JHJVBQTASA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000911073185 656941038 /nfs/dbraw/zinc/94/10/38/656941038.db2.gz QRCNZIZZYUWVFZ-JFGNBEQYSA-N 2 0 280.372 -0.937 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000911074091 656941224 /nfs/dbraw/zinc/94/12/24/656941224.db2.gz YYRWWPJJGJXJIJ-VXGBXAGGSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911073888 656941327 /nfs/dbraw/zinc/94/13/27/656941327.db2.gz XDLZUKPDYIGBSG-VIFPVBQESA-N 2 0 256.350 -0.950 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911073479 656941345 /nfs/dbraw/zinc/94/13/45/656941345.db2.gz SKSXHHRNSSMCNL-NNYUYHANSA-N 2 0 282.388 -0.548 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911138557 656961703 /nfs/dbraw/zinc/96/17/03/656961703.db2.gz RZNAWADDYCLNAR-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])CC2)C[N@@H+]1C1CC1 ZINC000911148032 656962668 /nfs/dbraw/zinc/96/26/68/656962668.db2.gz UMOLXSOHIPOOIP-ZJUUUORDSA-N 2 0 280.372 -0.665 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911146265 656963297 /nfs/dbraw/zinc/96/32/97/656963297.db2.gz KPLYQPQGKRBALP-MWLCHTKSSA-N 2 0 280.372 -0.807 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000911148657 656965770 /nfs/dbraw/zinc/96/57/70/656965770.db2.gz ZHXMLAOICTVRJX-MPPDQPJWSA-N 2 0 294.399 -0.548 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)C[C@H]1[NH3+] ZINC000911160308 656966596 /nfs/dbraw/zinc/96/65/96/656966596.db2.gz AVJDNEIDQGXSEQ-YNEHKIRRSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911161536 656968361 /nfs/dbraw/zinc/96/83/61/656968361.db2.gz LONXZRQVJSMZFP-LLVKDONJSA-N 2 0 282.388 -0.558 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000911187114 656976240 /nfs/dbraw/zinc/97/62/40/656976240.db2.gz MLSZHNFCPNOPJI-JHJVBQTASA-N 2 0 298.431 -0.114 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCO)C1 ZINC001006926875 656980262 /nfs/dbraw/zinc/98/02/62/656980262.db2.gz OAGIEVOGQVOWBK-VXGBXAGGSA-N 2 0 255.362 -0.347 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911208141 656984759 /nfs/dbraw/zinc/98/47/59/656984759.db2.gz JXQIVVQIRGDNGM-JHJVBQTASA-N 2 0 296.415 -0.299 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000911245317 656996126 /nfs/dbraw/zinc/99/61/26/656996126.db2.gz ZGNGSUXBJBIOCO-QWHCGFSZSA-N 2 0 298.431 -0.112 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911244292 656997167 /nfs/dbraw/zinc/99/71/67/656997167.db2.gz LCNBSLYOEZVTEK-LBPRGKRZSA-N 2 0 284.404 -0.358 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911255252 657000334 /nfs/dbraw/zinc/00/03/34/657000334.db2.gz JGUXNHWSYXUIDU-YNEHKIRRSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911258528 657000781 /nfs/dbraw/zinc/00/07/81/657000781.db2.gz QJBLMVLKBDNPFG-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911265914 657002078 /nfs/dbraw/zinc/00/20/78/657002078.db2.gz GJQDMJBWOGKLLE-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000911275608 657006473 /nfs/dbraw/zinc/00/64/73/657006473.db2.gz YDKSXOZENQQBFX-LBPRGKRZSA-N 2 0 298.431 -0.114 20 0 CBADRP CNC(=O)CN1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001007370336 657008152 /nfs/dbraw/zinc/00/81/52/657008152.db2.gz ZFTIYVBBJJXQCI-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000911281872 657009207 /nfs/dbraw/zinc/00/92/07/657009207.db2.gz JIZVFXOEKGRTBS-UHFFFAOYSA-N 2 0 272.393 -0.632 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911293994 657013414 /nfs/dbraw/zinc/01/34/14/657013414.db2.gz UJCTVGMHCSRXIN-UHIISALHSA-N 2 0 282.388 -0.893 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000911298770 657014278 /nfs/dbraw/zinc/01/42/78/657014278.db2.gz WKZMQEPTZJLGKW-XIKARTHZSA-N 2 0 296.415 -0.027 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000911336809 657022246 /nfs/dbraw/zinc/02/22/46/657022246.db2.gz NVQJXNYLAWCCCC-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000911338111 657022637 /nfs/dbraw/zinc/02/26/37/657022637.db2.gz XXFLAMIDRATPJY-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000911347554 657025349 /nfs/dbraw/zinc/02/53/49/657025349.db2.gz BNVGTNQJQFRGDG-NWDGAFQWSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911349297 657026211 /nfs/dbraw/zinc/02/62/11/657026211.db2.gz YUFWPEJVYLHATO-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911370358 657029719 /nfs/dbraw/zinc/02/97/19/657029719.db2.gz XYCURYHRJOCDGE-JHJVBQTASA-N 2 0 296.415 -0.489 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911375096 657031083 /nfs/dbraw/zinc/03/10/83/657031083.db2.gz YGOOUUURORROMR-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000911387899 657034029 /nfs/dbraw/zinc/03/40/29/657034029.db2.gz FFHCCNOZQQYTKX-UPJWGTAASA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000911396737 657034898 /nfs/dbraw/zinc/03/48/98/657034898.db2.gz ZQYWBKJVXOHNPL-VXGBXAGGSA-N 2 0 284.404 -0.632 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000911403353 657036360 /nfs/dbraw/zinc/03/63/60/657036360.db2.gz QJHAFWMBCWBKLF-UHFFFAOYSA-N 2 0 293.371 -0.429 20 0 CBADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N(C)CCC[NH3+])c1 ZINC000911403154 657036580 /nfs/dbraw/zinc/03/65/80/657036580.db2.gz NKUJJLMRWJYPTJ-UHFFFAOYSA-N 2 0 293.371 -0.429 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001008543508 657049144 /nfs/dbraw/zinc/04/91/44/657049144.db2.gz WPFFFKUZBYWASA-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911503638 657057401 /nfs/dbraw/zinc/05/74/01/657057401.db2.gz CKIXPROLDRKIRS-NSHDSACASA-N 2 0 282.388 -0.463 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911502761 657057633 /nfs/dbraw/zinc/05/76/33/657057633.db2.gz ICOMQECUNTZTGH-UHFFFAOYSA-N 2 0 268.361 -0.852 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911503177 657057804 /nfs/dbraw/zinc/05/78/04/657057804.db2.gz MLRKPPHCIQIQIM-NEPJUHHUSA-N 2 0 294.399 -0.463 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000911504318 657058496 /nfs/dbraw/zinc/05/84/96/657058496.db2.gz XIJAYOAWTIGNCN-NSHDSACASA-N 2 0 280.372 -0.709 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC3([NH3+])CC3)CC[C@@H]21 ZINC000911506597 657060573 /nfs/dbraw/zinc/06/05/73/657060573.db2.gz PMVOONGPRXKGCR-MNOVXSKESA-N 2 0 280.372 -0.854 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911519429 657065346 /nfs/dbraw/zinc/06/53/46/657065346.db2.gz AUUHWJVQKGRIJB-JTQLQIEISA-N 2 0 270.377 -0.879 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911519430 657065420 /nfs/dbraw/zinc/06/54/20/657065420.db2.gz AUUHWJVQKGRIJB-SNVBAGLBSA-N 2 0 270.377 -0.879 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911527514 657067569 /nfs/dbraw/zinc/06/75/69/657067569.db2.gz GPTGKNJFALWHMZ-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)C1 ZINC000911531549 657068365 /nfs/dbraw/zinc/06/83/65/657068365.db2.gz HUROCAVSLOIYDZ-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911534574 657069601 /nfs/dbraw/zinc/06/96/01/657069601.db2.gz UYJKFSZIPMYNDW-UHFFFAOYSA-N 2 0 270.377 -0.748 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000911534978 657069741 /nfs/dbraw/zinc/06/97/41/657069741.db2.gz XNRVLFJSPVGFHS-RYUDHWBXSA-N 2 0 294.399 -0.593 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000911532084 657070516 /nfs/dbraw/zinc/07/05/16/657070516.db2.gz KETRSHPHHZKZIM-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911549546 657075767 /nfs/dbraw/zinc/07/57/67/657075767.db2.gz IDOCXHLSQTVXCP-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC001009507897 657076905 /nfs/dbraw/zinc/07/69/05/657076905.db2.gz INZYKNGMYKTVSA-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911555431 657077223 /nfs/dbraw/zinc/07/72/23/657077223.db2.gz ADTAFBOBYAZUEJ-AVGNSLFASA-N 2 0 296.415 -0.171 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911559201 657077736 /nfs/dbraw/zinc/07/77/36/657077736.db2.gz CBLSPYOKNVOADW-SRVKXCTJSA-N 2 0 282.388 -0.560 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CCC1(C)C ZINC000911562619 657078919 /nfs/dbraw/zinc/07/89/19/657078919.db2.gz FRKAEOAWROGBOT-HAQNSBGRSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3C[C@H](C[NH3+])C3)C[C@]2(C)C1 ZINC000911567782 657080329 /nfs/dbraw/zinc/08/03/29/657080329.db2.gz PKPVBPQRUKBGSN-BLTAXRJOSA-N 2 0 294.399 -0.750 20 0 CBADRP CSCC[C@H]([NH3+])CC(=O)NCCCN1CC[NH2+]CC1 ZINC000911630175 657089922 /nfs/dbraw/zinc/08/99/22/657089922.db2.gz OMFGMEYMQBPXCE-LBPRGKRZSA-N 2 0 288.461 -0.132 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)CCNC(=O)[C@H]([NH3+])C(C)C)C1 ZINC000911633540 657090965 /nfs/dbraw/zinc/09/09/65/657090965.db2.gz HJBPTSIJLWBPCT-TZMCWYRMSA-N 2 0 298.431 -0.066 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CCC(C[NH3+])CC2)C1=O ZINC000911670693 657099593 /nfs/dbraw/zinc/09/95/93/657099593.db2.gz PKUPWEQLRQMDCX-LBPRGKRZSA-N 2 0 282.388 -0.619 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)NCC1CC[NH2+]CC1 ZINC000911671986 657099945 /nfs/dbraw/zinc/09/99/45/657099945.db2.gz HMPFHAKBDNWPBT-CYBMUJFWSA-N 2 0 255.362 -0.393 20 0 CBADRP CN1CCN(C(=O)C[C@H]([NH3+])C(C)(C)C)[C@H](C[NH3+])C1 ZINC000911877642 657152221 /nfs/dbraw/zinc/15/22/21/657152221.db2.gz AVEHXEDQRSANCE-MNOVXSKESA-N 2 0 256.394 -0.149 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911672859 657101410 /nfs/dbraw/zinc/10/14/10/657101410.db2.gz PSVVAVSOPCQWGH-WZRBSPASSA-N 2 0 253.346 -0.519 20 0 CBADRP C[C@@H](Cc1c[nH]cn1)C(=O)NCCN1CC[NH2+]CC1 ZINC000911696163 657105479 /nfs/dbraw/zinc/10/54/79/657105479.db2.gz RPTFCVFMDUVTCB-NSHDSACASA-N 2 0 265.361 -0.390 20 0 CBADRP [NH3+][C@@H](C(=O)NCC(=O)N1CC[NH2+]CC1)C1CCCCCC1 ZINC000911702237 657108137 /nfs/dbraw/zinc/10/81/37/657108137.db2.gz KTSDZMRJUBFURH-CQSZACIVSA-N 2 0 296.415 -0.168 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911703699 657110344 /nfs/dbraw/zinc/11/03/44/657110344.db2.gz KBCNSOSHBYBPPM-YPMHNXCESA-N 2 0 284.404 -0.408 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CCC[C@H](C[NH3+])C2)C1=O ZINC000911708300 657111693 /nfs/dbraw/zinc/11/16/93/657111693.db2.gz VRRQKCWFKSKDNM-VXGBXAGGSA-N 2 0 282.388 -0.619 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)NC[C@H]2CCC[NH2+]C2)C1=O ZINC000911708639 657111725 /nfs/dbraw/zinc/11/17/25/657111725.db2.gz XVXZDVMXWPGKAI-NWDGAFQWSA-N 2 0 282.388 -0.701 20 0 CBADRP O=C(NC[C@H]1CCCC[NH2+]1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911713922 657113883 /nfs/dbraw/zinc/11/38/83/657113883.db2.gz MMURWWNGNRFFBO-BZPMIXESSA-N 2 0 267.373 -0.129 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000911718354 657113979 /nfs/dbraw/zinc/11/39/79/657113979.db2.gz AAHHEFBIMLNQOK-GXFFZTMASA-N 2 0 266.345 -0.295 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CC[NH2+]C[C@@H]1C ZINC000911718396 657114254 /nfs/dbraw/zinc/11/42/54/657114254.db2.gz AJXQGTDGBDLJOG-CMPLNLGQSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@H](NC(=O)[C@H]1CCCN(CC[NH3+])C1=O)[C@H]1CCC[NH2+]C1 ZINC000911725361 657114861 /nfs/dbraw/zinc/11/48/61/657114861.db2.gz KSUGMJPRPBRNNM-RWMBFGLXSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)c1cnn2cc(CC[NH3+])cnc12 ZINC000911721333 657115097 /nfs/dbraw/zinc/11/50/97/657115097.db2.gz KPDGGTDFWVRLBB-JTQLQIEISA-N 2 0 288.355 -0.336 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)NC[C@H]2CCC[NH2+]2)C1=O ZINC000911751085 657121263 /nfs/dbraw/zinc/12/12/63/657121263.db2.gz IEFABXZTPZYEHU-MNOVXSKESA-N 2 0 268.361 -0.948 20 0 CBADRP [NH3+]CCc1cnc2c(C(=O)NC[C@@H]3CCC[NH2+]3)cnn2c1 ZINC000911752671 657121873 /nfs/dbraw/zinc/12/18/73/657121873.db2.gz XRBHCRKUPPMARQ-NSHDSACASA-N 2 0 288.355 -0.288 20 0 CBADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC000911753803 657122324 /nfs/dbraw/zinc/12/23/24/657122324.db2.gz QRBDVKPXKXDHTJ-PWSUYJOCSA-N 2 0 254.378 -0.524 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000911764630 657124467 /nfs/dbraw/zinc/12/44/67/657124467.db2.gz NEWMIESDKRZTSQ-QWHCGFSZSA-N 2 0 262.357 -0.294 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC000911763860 657124562 /nfs/dbraw/zinc/12/45/62/657124562.db2.gz NIMASNJEYNTUFC-GFCCVEGCSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH2+]C1(C(=O)N(C)CCN2CC[NH2+]CC2)CCC1 ZINC000911774914 657125649 /nfs/dbraw/zinc/12/56/49/657125649.db2.gz NGVOILWSYWOLCI-UHFFFAOYSA-N 2 0 254.378 -0.508 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)C12CC(C1)C[NH2+]2 ZINC000911774060 657125789 /nfs/dbraw/zinc/12/57/89/657125789.db2.gz GUQJAZHXYAFWEV-UHFFFAOYSA-N 2 0 252.362 -0.898 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC000911777429 657126594 /nfs/dbraw/zinc/12/65/94/657126594.db2.gz KSOQDCFFYGCYLD-GFCCVEGCSA-N 2 0 254.378 -0.652 20 0 CBADRP C[NH2+]C1CC(C(=O)N(C)CCN2CC[NH2+]CC2)C1 ZINC000911776472 657126909 /nfs/dbraw/zinc/12/69/09/657126909.db2.gz UUIPEFDFXHWLGH-UHFFFAOYSA-N 2 0 254.378 -0.652 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911776570 657127531 /nfs/dbraw/zinc/12/75/31/657127531.db2.gz XNJSIMJMUBGPKN-AGIUHOORSA-N 2 0 266.389 -0.795 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000911796272 657131603 /nfs/dbraw/zinc/13/16/03/657131603.db2.gz NGIOJIANHJYCRB-LOWVWBTDSA-N 2 0 284.404 -0.315 20 0 CBADRP C[C@H]1CN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC000911803994 657133803 /nfs/dbraw/zinc/13/38/03/657133803.db2.gz YIPVBAGXDLIMNW-JTQLQIEISA-N 2 0 266.345 -0.295 20 0 CBADRP C[C@H]1CN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC000911803402 657134355 /nfs/dbraw/zinc/13/43/55/657134355.db2.gz RUDLRBYSCFYBIF-GXFFZTMASA-N 2 0 266.345 -0.295 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000911802650 657134371 /nfs/dbraw/zinc/13/43/71/657134371.db2.gz KNSPKIMRXLZZQL-CMPLNLGQSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC[C@@H]1[NH3+] ZINC000911819415 657139807 /nfs/dbraw/zinc/13/98/07/657139807.db2.gz DBGSMPPIRRBLIZ-NMKXLXIOSA-N 2 0 267.373 -0.192 20 0 CBADRP C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC[C@@H]1[NH3+] ZINC000911819417 657140565 /nfs/dbraw/zinc/14/05/65/657140565.db2.gz DBGSMPPIRRBLIZ-OPDFLTKYSA-N 2 0 267.373 -0.192 20 0 CBADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H]1C[NH2+]CCN1C ZINC000911828821 657141027 /nfs/dbraw/zinc/14/10/27/657141027.db2.gz DGTWHNCDDVJZBY-YPMHNXCESA-N 2 0 256.394 -0.230 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC000911825480 657141133 /nfs/dbraw/zinc/14/11/33/657141133.db2.gz HRBYQOKWUPJDIL-SNVBAGLBSA-N 2 0 268.361 -0.016 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911826520 657142072 /nfs/dbraw/zinc/14/20/72/657142072.db2.gz OPYRWLIDRDUOOT-MFKMUULPSA-N 2 0 268.361 -0.016 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911852380 657146923 /nfs/dbraw/zinc/14/69/23/657146923.db2.gz PJCQYWSZCPEVCI-MBNYWOFBSA-N 2 0 267.373 -0.156 20 0 CBADRP CC[NH2+]CC1CCN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC000911861287 657147967 /nfs/dbraw/zinc/14/79/67/657147967.db2.gz HTXSJWZPYMOVME-GXTWGEPZSA-N 2 0 269.389 -0.053 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC000911868256 657149937 /nfs/dbraw/zinc/14/99/37/657149937.db2.gz PLKNITBTTGUNNZ-LLVKDONJSA-N 2 0 284.404 -0.373 20 0 CBADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911879326 657153683 /nfs/dbraw/zinc/15/36/83/657153683.db2.gz MJLJTCWGACBJLI-VXGBXAGGSA-N 2 0 256.394 -0.149 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)CCO1 ZINC000911878812 657154399 /nfs/dbraw/zinc/15/43/99/657154399.db2.gz APBJUSNUAISQKV-ZYHUDNBSSA-N 2 0 296.371 -0.541 20 0 CBADRP CN1CCN(C(=O)C(F)(F)C2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000911880732 657155548 /nfs/dbraw/zinc/15/55/48/657155548.db2.gz XSRXTINPZZXCOO-LLVKDONJSA-N 2 0 290.358 -0.277 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)[C@@H](C[NH3+])C1 ZINC000911881027 657155560 /nfs/dbraw/zinc/15/55/60/657155560.db2.gz YTMDFTVLIYLWPR-MJDLHHQISA-N 2 0 252.362 -0.929 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCO1 ZINC000911881509 657155598 /nfs/dbraw/zinc/15/55/98/657155598.db2.gz FGRDESAQPCSCLT-PREPNJAASA-N 2 0 253.346 -0.299 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000911884520 657156856 /nfs/dbraw/zinc/15/68/56/657156856.db2.gz RFBZKUGXEXUMEA-KXNHARMFSA-N 2 0 255.362 -0.193 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)CCO1 ZINC000911885890 657158184 /nfs/dbraw/zinc/15/81/84/657158184.db2.gz ZYMCHCKZFKIGPX-UZWSLXQKSA-N 2 0 253.346 -0.297 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C23CCC(CC2)[NH2+]3)CCO1 ZINC000911885855 657158292 /nfs/dbraw/zinc/15/82/92/657158292.db2.gz ZMZXLVOVVFUAPX-YLXHPXFOSA-N 2 0 253.346 -0.154 20 0 CBADRP C[NH+]1CCC(N(CCO)C(=O)C[NH+]2CCCC2)CC1 ZINC000911941234 657171742 /nfs/dbraw/zinc/17/17/42/657171742.db2.gz JMWBXJNOLHNYOZ-UHFFFAOYSA-N 2 0 269.389 -0.003 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000912030682 657185313 /nfs/dbraw/zinc/18/53/13/657185313.db2.gz XEXNDPLSMUOUBT-CYBMUJFWSA-N 2 0 299.415 -0.153 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000912049533 657187761 /nfs/dbraw/zinc/18/77/61/657187761.db2.gz MVDGQTJLACIJIP-XBXGTLAGSA-N 2 0 282.432 -0.064 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H](O)C(C)(C)O ZINC000912386103 657247212 /nfs/dbraw/zinc/24/72/12/657247212.db2.gz AJVFALYBQDEZTM-LLVKDONJSA-N 2 0 275.393 -0.882 20 0 CBADRP CC(C)[C@@H]1CN(C(=O)C2CN(C)CC[N@H+](C)C2)CC[NH2+]1 ZINC000912766866 657341451 /nfs/dbraw/zinc/34/14/51/657341451.db2.gz AEBJPDYCOXJDTR-AWEZNQCLSA-N 2 0 282.432 -0.064 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001014460755 657360998 /nfs/dbraw/zinc/36/09/98/657360998.db2.gz YUOPHQHFXIMYFM-OLZOCXBDSA-N 2 0 267.373 -0.489 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCCO)C2)CC[N@@H+]1C ZINC001014481993 657363422 /nfs/dbraw/zinc/36/34/22/657363422.db2.gz BUPYXFCVFGEMLS-FRRDWIJNSA-N 2 0 269.389 -0.101 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001015322554 657432260 /nfs/dbraw/zinc/43/22/60/657432260.db2.gz CRIGDYYAARQIJZ-ICRTXTNUSA-N 2 0 295.383 -0.968 20 0 CBADRP CN1C[C@@H](O)C[C@@]1(C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000913334581 657442158 /nfs/dbraw/zinc/44/21/58/657442158.db2.gz NXOHCGYJHBWGDO-GVXVVHGQSA-N 2 0 255.362 -0.348 20 0 CBADRP CN(C[C@@H]1CN(C)CCO1)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000913507875 657482333 /nfs/dbraw/zinc/48/23/33/657482333.db2.gz UJHLMARZVHSLNC-MBNYWOFBSA-N 2 0 285.388 -0.770 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015654535 657504033 /nfs/dbraw/zinc/50/40/33/657504033.db2.gz YVQJSLWBCCWULP-DGCLKSJQSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](CCO)C1 ZINC001015705121 657524953 /nfs/dbraw/zinc/52/49/53/657524953.db2.gz IDEHYGHILOHJBA-NEPJUHHUSA-N 2 0 255.362 -0.347 20 0 CBADRP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000913759587 657604898 /nfs/dbraw/zinc/60/48/98/657604898.db2.gz QHPWTGFPTKIBRF-COMQUAJESA-N 2 0 281.400 -0.006 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC001016004085 657629931 /nfs/dbraw/zinc/62/99/31/657629931.db2.gz VPRASZSHWNXBFX-LLVKDONJSA-N 2 0 253.346 -0.735 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCCO)C2)C1 ZINC001016248620 657669745 /nfs/dbraw/zinc/66/97/45/657669745.db2.gz CFCGTRKGSIRNQJ-RYUDHWBXSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@H](CN1CCOCC1)NC(=S)NCC[NH+](C)C ZINC000916004669 657757418 /nfs/dbraw/zinc/75/74/18/657757418.db2.gz RFKITUOUZORNIC-LLVKDONJSA-N 2 0 274.434 -0.267 20 0 CBADRP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[NH+](C)CCN2C)CC[N@@H+]1C ZINC000917961979 657822284 /nfs/dbraw/zinc/82/22/84/657822284.db2.gz YBEHDKLMBWWOOL-FRRDWIJNSA-N 2 0 283.420 -0.376 20 0 CBADRP Cn1nncc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001018626577 657828123 /nfs/dbraw/zinc/82/81/23/657828123.db2.gz ADHWYCYTDUBMOM-AAEUAGOBSA-N 2 0 292.387 -0.400 20 0 CBADRP CCN1CCO[C@H](CNC(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000919128298 657844640 /nfs/dbraw/zinc/84/46/40/657844640.db2.gz WAWNUXOQHNKLFV-VXGBXAGGSA-N 2 0 270.377 -0.290 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018938144 657854060 /nfs/dbraw/zinc/85/40/60/657854060.db2.gz BLXOXUKZFSKYBI-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCO)C1)C1CC1 ZINC001018967551 657856181 /nfs/dbraw/zinc/85/61/81/657856181.db2.gz FUGDDFZGCBWXSG-NWDGAFQWSA-N 2 0 255.362 -0.491 20 0 CBADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC001018971569 657856286 /nfs/dbraw/zinc/85/62/86/657856286.db2.gz HTRBUNFFBFXGMD-WCQYABFASA-N 2 0 296.415 -0.075 20 0 CBADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001018999511 657857957 /nfs/dbraw/zinc/85/79/57/657857957.db2.gz VUEPKXXTDFNNLN-SRVKXCTJSA-N 2 0 284.404 -0.363 20 0 CBADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1)[NH+](C)C ZINC001019000684 657858233 /nfs/dbraw/zinc/85/82/33/657858233.db2.gz JCGOVZLUFYSQCT-AVGNSLFASA-N 2 0 296.415 -0.348 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1)[NH+](C)C ZINC001019034741 657859036 /nfs/dbraw/zinc/85/90/36/657859036.db2.gz NCVNEOCIKBBMTI-RWMBFGLXSA-N 2 0 296.415 -0.204 20 0 CBADRP O=C(N1CC[C@H]([NH2+]CCO)C1)C12CCC[NH+]1CCC2 ZINC001019088441 657862553 /nfs/dbraw/zinc/86/25/53/657862553.db2.gz UBGBVMAKGSEBPG-LBPRGKRZSA-N 2 0 267.373 -0.202 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001019241675 657876076 /nfs/dbraw/zinc/87/60/76/657876076.db2.gz TYDZYZJKZFYOFZ-SDDRHHMPSA-N 2 0 255.362 -0.348 20 0 CBADRP C[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCO)C2)CC1 ZINC001019326624 657886157 /nfs/dbraw/zinc/88/61/57/657886157.db2.gz WJXOBGXIIJUIQW-LBPRGKRZSA-N 2 0 255.362 -0.489 20 0 CBADRP CC1CC[NH+](CC(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001019560413 657913211 /nfs/dbraw/zinc/91/32/11/657913211.db2.gz FHXJVMAHFGVVBC-LBPRGKRZSA-N 2 0 282.388 -0.606 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001019652453 657926038 /nfs/dbraw/zinc/92/60/38/657926038.db2.gz MPJISPSOPRDEFT-QWRGUYRKSA-N 2 0 268.361 -0.996 20 0 CBADRP Cn1nncc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001019772870 657937182 /nfs/dbraw/zinc/93/71/82/657937182.db2.gz VALSGQGURFOGMX-RYUDHWBXSA-N 2 0 292.387 -0.543 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001020026255 657986469 /nfs/dbraw/zinc/98/64/69/657986469.db2.gz MRFUCULHEOQVPX-CYDGBPFRSA-N 2 0 294.399 -0.404 20 0 CBADRP Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001020026183 657986993 /nfs/dbraw/zinc/98/69/93/657986993.db2.gz KCEYODRKCVUDFT-IJLUTSLNSA-N 2 0 292.387 -0.354 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001020029223 657990509 /nfs/dbraw/zinc/99/05/09/657990509.db2.gz YIASNRMYFQTLLX-FIQHERPVSA-N 2 0 255.362 -0.302 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001020301118 658034985 /nfs/dbraw/zinc/03/49/85/658034985.db2.gz PQZHVYBWOURILT-LPWJVIDDSA-N 2 0 294.399 -0.404 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020297737 658035321 /nfs/dbraw/zinc/03/53/21/658035321.db2.gz XTDKVLJFNOWJNS-SRVKXCTJSA-N 2 0 255.362 -0.300 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001020288432 658036170 /nfs/dbraw/zinc/03/61/70/658036170.db2.gz ANVGSNPIDCSWSI-ZDEQEGDKSA-N 2 0 294.399 -0.275 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCCOCC1 ZINC000922608353 658061622 /nfs/dbraw/zinc/06/16/22/658061622.db2.gz RPBJFERJAVPQNP-GFCCVEGCSA-N 2 0 270.377 -0.288 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001020588870 658076605 /nfs/dbraw/zinc/07/66/05/658076605.db2.gz OZQFXYJTPGIYSB-CYDGBPFRSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1)C(N)=O ZINC001020591961 658078770 /nfs/dbraw/zinc/07/87/70/658078770.db2.gz XTYPKVKXJLJPPX-IJLUTSLNSA-N 2 0 296.415 -0.171 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001020719584 658084649 /nfs/dbraw/zinc/08/46/49/658084649.db2.gz MNXUATOKEDRXLT-LPWJVIDDSA-N 2 0 294.399 -0.275 20 0 CBADRP C[NH+](C)C1(CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000923004043 658130405 /nfs/dbraw/zinc/13/04/05/658130405.db2.gz ZKMUQBSODYXXEU-ZDUSSCGKSA-N 2 0 270.377 -0.554 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001021043567 658133568 /nfs/dbraw/zinc/13/35/68/658133568.db2.gz CGLUCNZFXSIBJV-VLEAKVRGSA-N 2 0 268.361 -0.951 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001021051796 658141202 /nfs/dbraw/zinc/14/12/02/658141202.db2.gz PLMQKUHIOMIGCM-SRVKXCTJSA-N 2 0 280.372 -0.793 20 0 CBADRP Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001021049089 658143775 /nfs/dbraw/zinc/14/37/75/658143775.db2.gz HJJZAOXJEHXOTB-IJLUTSLNSA-N 2 0 292.387 -0.198 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN[C@@](C)(C[NH3+])C1CC1 ZINC000923295795 658194098 /nfs/dbraw/zinc/19/40/98/658194098.db2.gz HPHFNRNUZVUQPH-OLZOCXBDSA-N 2 0 259.394 -0.358 20 0 CBADRP CCOCC[C@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000923288260 658195404 /nfs/dbraw/zinc/19/54/04/658195404.db2.gz YYVPSPVIMKENBR-ZDUSSCGKSA-N 2 0 259.394 -0.389 20 0 CBADRP C[C@@H]([NH3+])C1CC[NH+](CCN2C(=O)CN(C)C2=O)CC1 ZINC000923284133 658195454 /nfs/dbraw/zinc/19/54/54/658195454.db2.gz HVJLHJLASZJRAV-SNVBAGLBSA-N 2 0 268.361 -0.060 20 0 CBADRP CC(C)C[N@@H+](CC(N)=O)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923305684 658196884 /nfs/dbraw/zinc/19/68/84/658196884.db2.gz MQASVHBGQCWGLV-LLVKDONJSA-N 2 0 255.362 -0.192 20 0 CBADRP O=C1NCCN1[C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923309160 658202565 /nfs/dbraw/zinc/20/25/65/658202565.db2.gz SUNWDJRPLNLFCJ-OLZOCXBDSA-N 2 0 294.399 -0.146 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C ZINC000923322376 658208357 /nfs/dbraw/zinc/20/83/57/658208357.db2.gz KRGJGRANZFEFDV-RDBSUJKOSA-N 2 0 283.416 -0.248 20 0 CBADRP c1cnnc(N2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)c1 ZINC000923324494 658209215 /nfs/dbraw/zinc/20/92/15/658209215.db2.gz WFSCBIMWDUEZMD-CYBMUJFWSA-N 2 0 289.383 -0.023 20 0 CBADRP COC[C@](C)(CCO)[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923318743 658211925 /nfs/dbraw/zinc/21/19/25/658211925.db2.gz ONDBJLAUPXGLHK-NEPJUHHUSA-N 2 0 258.362 -0.258 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000923328740 658215698 /nfs/dbraw/zinc/21/56/98/658215698.db2.gz CETSYZCBGMKNCA-KBPBESRZSA-N 2 0 271.405 -0.248 20 0 CBADRP CN1CC(=O)N(CC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1=O ZINC000923331389 658217148 /nfs/dbraw/zinc/21/71/48/658217148.db2.gz GIAFYNZVGNJQEQ-TUAOUCFPSA-N 2 0 280.372 -0.060 20 0 CBADRP FC(F)[C@H]1C[NH2+]CCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923353680 658226341 /nfs/dbraw/zinc/22/63/41/658226341.db2.gz LDIDFMCPVLBXKD-NXEZZACHSA-N 2 0 261.316 -0.096 20 0 CBADRP C[C@@H]1CCC[C@H](NC(=O)CNC(C[NH3+])C[NH3+])[C@@H]1C ZINC000923353669 658226549 /nfs/dbraw/zinc/22/65/49/658226549.db2.gz ZVSGDCCQUMQWIZ-FOGDFJRCSA-N 2 0 256.394 -0.197 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1CCC[NH2+]C1CC1 ZINC000923353175 658226660 /nfs/dbraw/zinc/22/66/60/658226660.db2.gz HNVPGSQDFAQEMN-LBPRGKRZSA-N 2 0 255.362 -0.035 20 0 CBADRP Cc1cc(C)cc(OC[C@@H](O)CNC(C[NH3+])C[NH3+])c1 ZINC000923356915 658228278 /nfs/dbraw/zinc/22/82/78/658228278.db2.gz QPEQXBFDHOAELX-ZDUSSCGKSA-N 2 0 267.373 -0.081 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000923363771 658236170 /nfs/dbraw/zinc/23/61/70/658236170.db2.gz FIRRGUBHOHRGRR-HZSPNIEDSA-N 2 0 271.405 -0.248 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000923370020 658237650 /nfs/dbraw/zinc/23/76/50/658237650.db2.gz OFXXSDUHNOWIGJ-XJFOESAGSA-N 2 0 273.421 -0.098 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000923370018 658238128 /nfs/dbraw/zinc/23/81/28/658238128.db2.gz OFXXSDUHNOWIGJ-REWJHTLYSA-N 2 0 273.421 -0.098 20 0 CBADRP C[NH2+]CCCN1CC[NH2+]CCN(CCC[NH2+]C)CC1 ZINC000923396387 658252969 /nfs/dbraw/zinc/25/29/69/658252969.db2.gz TXXDTMVKSRZXAA-UHFFFAOYSA-N 3 0 271.453 -0.587 20 0 CBADRP COC(=O)[C@@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1C ZINC000923395021 658254272 /nfs/dbraw/zinc/25/42/72/658254272.db2.gz OPBDPEJXNWQLQC-SVNGYHJRSA-N 2 0 256.346 -0.032 20 0 CBADRP O=C(N1CC[NH2+]CC1)N1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923400473 658258842 /nfs/dbraw/zinc/25/88/42/658258842.db2.gz YWJPTOYYZKVILD-UHFFFAOYSA-N 2 0 295.431 -0.229 20 0 CBADRP C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000923401299 658260379 /nfs/dbraw/zinc/26/03/79/658260379.db2.gz URPFATJIIXQTRJ-OUAUKWLOSA-N 2 0 253.346 -0.439 20 0 CBADRP OCC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000923399987 658261986 /nfs/dbraw/zinc/26/19/86/658261986.db2.gz VMYQMJZIVAJNLV-LBPRGKRZSA-N 2 0 279.388 -0.009 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000923406665 658265585 /nfs/dbraw/zinc/26/55/85/658265585.db2.gz ZKCYWVVNCGLFKH-NEPJUHHUSA-N 2 0 297.403 -0.671 20 0 CBADRP CC[C@H](O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000923427787 658275099 /nfs/dbraw/zinc/27/50/99/658275099.db2.gz CJGBBSUODFJBJQ-NOHGZBONSA-N 2 0 256.346 -0.030 20 0 CBADRP CCCn1ncnc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459632 658291230 /nfs/dbraw/zinc/29/12/30/658291230.db2.gz JGXYZOAVYXYJCV-UHFFFAOYSA-N 2 0 252.366 -0.317 20 0 CBADRP CCCCOC[C@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923461579 658291974 /nfs/dbraw/zinc/29/19/74/658291974.db2.gz ZWTZUKJGSINRMN-CYBMUJFWSA-N 2 0 259.394 -0.341 20 0 CBADRP CCc1nnc([C@H](C)N2CC[NH2+]CC[NH2+]CC2)[nH]1 ZINC000923460826 658292410 /nfs/dbraw/zinc/29/24/10/658292410.db2.gz WLBMGEBBJPMPJE-JTQLQIEISA-N 2 0 252.366 -0.077 20 0 CBADRP CCc1cc(=O)[nH]c(CN2CC[NH2+]CC[NH2+]CC2)n1 ZINC000923463052 658292607 /nfs/dbraw/zinc/29/26/07/658292607.db2.gz PFEWGQDQDLXQGN-UHFFFAOYSA-N 2 0 265.361 -0.261 20 0 CBADRP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@H](CC[NH3+])C2)C1=O ZINC000923482287 658301946 /nfs/dbraw/zinc/30/19/46/658301946.db2.gz YGNCOEYFXMMMDC-RYUDHWBXSA-N 2 0 283.372 -0.179 20 0 CBADRP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480887 658302257 /nfs/dbraw/zinc/30/22/57/658302257.db2.gz CHYUWUAYOMQRBU-LBPRGKRZSA-N 2 0 293.433 -0.387 20 0 CBADRP C[C@@H]1C[N@H+](CC(=O)NCC(=O)N2CCCC2)CC[C@H]1C[NH3+] ZINC000923498674 658306799 /nfs/dbraw/zinc/30/67/99/658306799.db2.gz KPQDLGLSPCQNLY-OLZOCXBDSA-N 2 0 296.415 -0.358 20 0 CBADRP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](CC[NH3+])C2)C1 ZINC000923493120 658308086 /nfs/dbraw/zinc/30/80/86/658308086.db2.gz RIQXVMVFYLAAKY-KBPBESRZSA-N 2 0 296.415 -0.216 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923497065 658308905 /nfs/dbraw/zinc/30/89/05/658308905.db2.gz KQBYJMGXVDBNTJ-RYUDHWBXSA-N 2 0 285.388 -0.075 20 0 CBADRP COC(=O)CCNC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923500598 658309773 /nfs/dbraw/zinc/30/97/73/658309773.db2.gz WCWBBHPVMHKWMS-WDEREUQCSA-N 2 0 271.361 -0.418 20 0 CBADRP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1)C(=O)N(C)C ZINC000923500983 658310218 /nfs/dbraw/zinc/31/02/18/658310218.db2.gz SWDOKLXOGPFPSO-SRVKXCTJSA-N 2 0 284.404 -0.504 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923502931 658310665 /nfs/dbraw/zinc/31/06/65/658310665.db2.gz FCULKTXZZHEACX-KXUCPTDWSA-N 2 0 256.350 -0.253 20 0 CBADRP O=C(CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCOCC1 ZINC000923519363 658313053 /nfs/dbraw/zinc/31/30/53/658313053.db2.gz RGMMNJPUXURLAR-QWHCGFSZSA-N 2 0 267.373 -0.223 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923562114 658327034 /nfs/dbraw/zinc/32/70/34/658327034.db2.gz DIPKLXULNPWUPB-QWRGUYRKSA-N 2 0 276.406 -0.662 20 0 CBADRP [NH3+]CCOCCN(Cc1ccccc1)[C@@H]1C[NH2+]C[C@H]1O ZINC000923561917 658327199 /nfs/dbraw/zinc/32/71/99/658327199.db2.gz PGRMMCCXFWXCHB-HUUCEWRRSA-N 2 0 279.384 -0.203 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923567659 658331918 /nfs/dbraw/zinc/33/19/18/658331918.db2.gz VSOIRUGDFYYXHD-LLVKDONJSA-N 2 0 261.391 -0.248 20 0 CBADRP [NH3+][C@@H](CNS(=O)(=O)C1C[NH2+]C1)c1ccccc1 ZINC000923568481 658332711 /nfs/dbraw/zinc/33/27/11/658332711.db2.gz FMHCOXDBZDYARO-NSHDSACASA-N 2 0 255.343 -0.422 20 0 CBADRP CN(CC(C)(C)C[NH3+])S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923577808 658336386 /nfs/dbraw/zinc/33/63/86/658336386.db2.gz VSLFTLLANCKBRJ-JTQLQIEISA-N 2 0 263.407 -0.015 20 0 CBADRP [NH3+]CCCOC1CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923575547 658337215 /nfs/dbraw/zinc/33/72/15/658337215.db2.gz DYGBKYNXRLJJOZ-UHFFFAOYSA-N 2 0 277.390 -0.882 20 0 CBADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000923578387 658338929 /nfs/dbraw/zinc/33/89/29/658338929.db2.gz ZKZAPKARHNOTNQ-VXGBXAGGSA-N 2 0 273.402 -0.106 20 0 CBADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CCO1 ZINC000923612119 658351885 /nfs/dbraw/zinc/35/18/85/658351885.db2.gz MQTPHOCWXJTGEN-NEPJUHHUSA-N 2 0 291.417 -0.669 20 0 CBADRP C[C@@H]1C[C@H](NS(=O)(=O)N2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000923627252 658360908 /nfs/dbraw/zinc/36/09/08/658360908.db2.gz YXXIMZKEETZNAW-MNOVXSKESA-N 2 0 288.417 -0.649 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923630364 658365083 /nfs/dbraw/zinc/36/50/83/658365083.db2.gz XCWIYMLFLSZXKK-JQWIXIFHSA-N 2 0 273.402 -0.296 20 0 CBADRP C[NH2+][C@H]1CCCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923635299 658365483 /nfs/dbraw/zinc/36/54/83/658365483.db2.gz FDGZGQLAWJGLEO-QWRGUYRKSA-N 2 0 261.391 -0.248 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923645957 658372540 /nfs/dbraw/zinc/37/25/40/658372540.db2.gz QEERPDUEZITKJT-NWDGAFQWSA-N 2 0 287.429 0.000 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923646253 658373437 /nfs/dbraw/zinc/37/34/37/658373437.db2.gz PJZUTNBCKPLPTG-MXWKQRLJSA-N 2 0 261.391 -0.215 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000923644656 658373489 /nfs/dbraw/zinc/37/34/89/658373489.db2.gz KHJIUGHCKUDHHE-UHFFFAOYSA-N 2 0 259.375 -0.637 20 0 CBADRP C[C@@H]1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000923648868 658373796 /nfs/dbraw/zinc/37/37/96/658373796.db2.gz WGXUVLZXLLIHKR-GRYCIOLGSA-N 2 0 275.418 -0.015 20 0 CBADRP C[C@@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000923647576 658373905 /nfs/dbraw/zinc/37/39/05/658373905.db2.gz NDDBNTQEPNFLOG-MNOVXSKESA-N 2 0 276.406 -0.947 20 0 CBADRP CO[C@@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)[C@@](C)(C[NH3+])C1 ZINC000923661305 658384527 /nfs/dbraw/zinc/38/45/27/658384527.db2.gz DKLDLLRRQDPTIL-SDDRHHMPSA-N 2 0 291.417 -0.494 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923660802 658384544 /nfs/dbraw/zinc/38/45/44/658384544.db2.gz FUERYRYGPFXYEL-OUAUKWLOSA-N 2 0 261.391 -0.202 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923660126 658385671 /nfs/dbraw/zinc/38/56/71/658385671.db2.gz RGVRAHVNKIVJAS-RYUDHWBXSA-N 2 0 275.418 -0.002 20 0 CBADRP O=S(=O)(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1 ZINC000923667598 658389187 /nfs/dbraw/zinc/38/91/87/658389187.db2.gz UXWNLLRCSLHSHA-ZSBIGDGJSA-N 2 0 288.417 -0.743 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H](NS(=O)(=O)C2C[NH2+]C2)C1 ZINC000923667928 658389829 /nfs/dbraw/zinc/38/98/29/658389829.db2.gz PQNZWMPFALXPDU-SECBINFHSA-N 2 0 261.391 -0.344 20 0 CBADRP CC1(C)CC[NH2+]CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923666545 658390425 /nfs/dbraw/zinc/39/04/25/658390425.db2.gz SASHLGVRBAENCY-UHFFFAOYSA-N 2 0 276.406 -0.790 20 0 CBADRP O=S(=O)(N[C@@]12CCC[C@@H]1[NH2+]CC2)N1CC[NH2+]CC1 ZINC000923672677 658393212 /nfs/dbraw/zinc/39/32/12/658393212.db2.gz XCAYMADDOYGCOE-WDEREUQCSA-N 2 0 274.390 -0.989 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1COC(=O)C1 ZINC000923737899 658425647 /nfs/dbraw/zinc/42/56/47/658425647.db2.gz CRRNLHPGYSUAND-NSHDSACASA-N 2 0 286.376 -0.563 20 0 CBADRP C[NH+](C)C[C@@H]1NC(=O)N(C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1=O ZINC000924561214 658615105 /nfs/dbraw/zinc/61/51/05/658615105.db2.gz SDSJIIFKHBMYOO-SRVKXCTJSA-N 2 0 296.371 -0.668 20 0 CBADRP C[C@H](C[NH2+][C@@H]1C(=O)NCC1(C)C)N1CC[NH+](C)CC1 ZINC000924962605 658671552 /nfs/dbraw/zinc/67/15/52/658671552.db2.gz UDRXWQYWIHNQFS-VXGBXAGGSA-N 2 0 268.405 -0.264 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2C)cn1 ZINC000924978038 658684634 /nfs/dbraw/zinc/68/46/34/658684634.db2.gz HXESJMZLEIDTNM-STQMWFEESA-N 2 0 295.387 -0.761 20 0 CBADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2C)cn1 ZINC000924981397 658690033 /nfs/dbraw/zinc/69/00/33/658690033.db2.gz NCZJAKMQTDNLQB-ZIAGYGMSSA-N 2 0 292.383 -0.062 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000924996205 658708275 /nfs/dbraw/zinc/70/82/75/658708275.db2.gz QDLASXDUSHIMNJ-QWHCGFSZSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[NH+](CC)CCN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000925271898 658814453 /nfs/dbraw/zinc/81/44/53/658814453.db2.gz KRCVXAAIOUHVEQ-SNVBAGLBSA-N 2 0 256.350 -0.190 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)c1ccc2c[nH+]cn2c1 ZINC000961184975 658817329 /nfs/dbraw/zinc/81/73/29/658817329.db2.gz NAGSBZRJVSKFBV-WDNDVIMCSA-N 2 0 286.335 -0.013 20 0 CBADRP CC[N@@H+]1CCC[C@H](N2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000925300529 658819511 /nfs/dbraw/zinc/81/95/11/658819511.db2.gz WLVMMYHFEMBXSL-WDEREUQCSA-N 2 0 268.361 -0.047 20 0 CBADRP CC[N@@H+]1CCC[C@@H](N2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000925300524 658819675 /nfs/dbraw/zinc/81/96/75/658819675.db2.gz WLVMMYHFEMBXSL-GHMZBOCLSA-N 2 0 268.361 -0.047 20 0 CBADRP C[C@@H]1[C@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000925341780 658830795 /nfs/dbraw/zinc/83/07/95/658830795.db2.gz JPFLLQRZCGKEOZ-YVECIDJPSA-N 2 0 282.388 -0.461 20 0 CBADRP C[C@H]1[C@@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000925346774 658833181 /nfs/dbraw/zinc/83/31/81/658833181.db2.gz VTQBGVDFIAZQQN-TUAOUCFPSA-N 2 0 270.377 -0.555 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000961765682 658833161 /nfs/dbraw/zinc/83/31/61/658833161.db2.gz RITJPAHYDIOTDB-CIQGVGRVSA-N 2 0 267.373 -0.633 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C)CCO1 ZINC000925405356 658838689 /nfs/dbraw/zinc/83/86/89/658838689.db2.gz FWGVVLRSUXKEJJ-VXGBXAGGSA-N 2 0 270.377 -0.338 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000925409329 658839200 /nfs/dbraw/zinc/83/92/00/658839200.db2.gz FJRISLHCHPMOMJ-NSHDSACASA-N 2 0 270.377 -0.554 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000925410795 658839305 /nfs/dbraw/zinc/83/93/05/658839305.db2.gz UJFGZDGYYLHEQA-ZYHUDNBSSA-N 2 0 258.366 -0.698 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)N[C@@H]1CCC[C@@H]1[NH+]1CC[C@@H](O)C1 ZINC000925425120 658847699 /nfs/dbraw/zinc/84/76/99/658847699.db2.gz DFGRGQLTNFXVJO-DGAVXFQQSA-N 2 0 296.415 -0.023 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H]1[NH+]1CC[C@H](O)C1 ZINC000925425123 658848201 /nfs/dbraw/zinc/84/82/01/658848201.db2.gz DFGRGQLTNFXVJO-RQJABVFESA-N 2 0 296.415 -0.023 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000925429624 658850130 /nfs/dbraw/zinc/85/01/30/658850130.db2.gz PAKGPLYFHYWQJY-GHMZBOCLSA-N 2 0 256.350 -0.944 20 0 CBADRP CCO[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C)C[NH+](C)C ZINC000925431138 658851082 /nfs/dbraw/zinc/85/10/82/658851082.db2.gz COOHIFXVRCSFSA-RYUDHWBXSA-N 2 0 272.393 -0.044 20 0 CBADRP C[C@H](CN[C@@H]1C[NH2+]CCOC1)N1CC[NH+](C)CC1 ZINC000925496360 658856782 /nfs/dbraw/zinc/85/67/82/658856782.db2.gz QSBJAWDWVXICTJ-CHWSQXEVSA-N 2 0 256.394 -0.800 20 0 CBADRP CN1CC[NH+](CCCC[NH2+][C@H]2CNCCOC2)CC1 ZINC000925546516 658858065 /nfs/dbraw/zinc/85/80/65/658858065.db2.gz ODPVLGHVXQJPQS-AWEZNQCLSA-N 2 0 270.421 -0.408 20 0 CBADRP NC(=O)C1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCOCC1 ZINC000925544000 658858214 /nfs/dbraw/zinc/85/82/14/658858214.db2.gz PGBDQHPIFGMMTD-NWBUJAPZSA-N 2 0 279.384 -0.146 20 0 CBADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CNCCOC1 ZINC000925609848 658861696 /nfs/dbraw/zinc/86/16/96/658861696.db2.gz WMRBJNVJLOLOQY-KGLIPLIRSA-N 2 0 271.405 -0.199 20 0 CBADRP CN1CCC[N@H+](CCCN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925608831 658862224 /nfs/dbraw/zinc/86/22/24/658862224.db2.gz KNFFGWWULBLZLE-AWEZNQCLSA-N 2 0 270.421 -0.408 20 0 CBADRP C[NH+]1CCN(C(C)(C)CN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925606598 658862259 /nfs/dbraw/zinc/86/22/59/658862259.db2.gz ONQOVKMVNTUIAW-ZDUSSCGKSA-N 2 0 270.421 -0.410 20 0 CBADRP CC[NH+](CC)CCOCCN[C@H]1C[NH2+]CCOC1 ZINC000925647665 658863289 /nfs/dbraw/zinc/86/32/89/658863289.db2.gz DYQCWCWESQZWOJ-ZDUSSCGKSA-N 2 0 259.394 -0.077 20 0 CBADRP C[C@@H](CC[NH+]1CCN(C)CC1)N[C@@H]1C[NH2+]CCOC1 ZINC000925641202 658864100 /nfs/dbraw/zinc/86/41/00/658864100.db2.gz LGTYUKRGEKLWEP-UONOGXRCSA-N 2 0 270.421 -0.410 20 0 CBADRP C(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)CN1CC[NH2+]CC1 ZINC000925689685 658865455 /nfs/dbraw/zinc/86/54/55/658865455.db2.gz HWXWQWVDTNDPGU-XPABHHOTSA-N 3 0 264.417 -0.132 20 0 CBADRP OCC[N@@H+]1CCCC[C@@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925681163 658866037 /nfs/dbraw/zinc/86/60/37/658866037.db2.gz SYRBXSNTMJYPLM-QWHCGFSZSA-N 2 0 257.378 -0.589 20 0 CBADRP C(N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[C@H]1C[NH2+]CCCO1 ZINC000925711869 658866996 /nfs/dbraw/zinc/86/69/96/658866996.db2.gz TUJHYAFTGHNODU-BSCCGWMCSA-N 2 0 251.374 -0.049 20 0 CBADRP CNS(=O)(=O)CCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925726868 658868772 /nfs/dbraw/zinc/86/87/72/658868772.db2.gz XNBHOEIZQYAQSD-VHSXEESVSA-N 2 0 261.391 -0.215 20 0 CBADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@]23COCCN2C(=O)COC3)C12CCC2 ZINC000925727981 658868784 /nfs/dbraw/zinc/86/87/84/658868784.db2.gz RRYLOMWXDUHHJN-YRGRVCCFSA-N 2 0 295.383 -0.526 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)C1C[NH2+]C1 ZINC000925771419 658871126 /nfs/dbraw/zinc/87/11/26/658871126.db2.gz YBNGRWSRIPDJER-GOEBONIOSA-N 2 0 296.459 -0.020 20 0 CBADRP [NH3+]C1CCN(CC[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)CC1 ZINC000925817659 658872853 /nfs/dbraw/zinc/87/28/53/658872853.db2.gz UXJMLSCAFKQTMR-GJZGRUSLSA-N 2 0 282.432 -0.234 20 0 CBADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817431 658873306 /nfs/dbraw/zinc/87/33/06/658873306.db2.gz SDMGHVZGCUCRSX-QWHCGFSZSA-N 2 0 284.404 -0.707 20 0 CBADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000926329983 658893382 /nfs/dbraw/zinc/89/33/82/658893382.db2.gz JCCNQZOTCFHICY-YNEHKIRRSA-N 2 0 294.399 -0.641 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C[C@@H]1[NH+](C)C ZINC000926341097 658894798 /nfs/dbraw/zinc/89/47/98/658894798.db2.gz ITZMUFSTDVAMAA-AGIUHOORSA-N 2 0 296.415 -0.408 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C[C@H]1[NH+](C)C ZINC000926341099 658894835 /nfs/dbraw/zinc/89/48/35/658894835.db2.gz ITZMUFSTDVAMAA-JHJVBQTASA-N 2 0 296.415 -0.408 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C[C@H]1[NH+](C)C ZINC000926345205 658895685 /nfs/dbraw/zinc/89/56/85/658895685.db2.gz RZYBACCMFHYQPL-FDYHWXHSSA-N 2 0 296.415 -0.552 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000926352874 658896130 /nfs/dbraw/zinc/89/61/30/658896130.db2.gz QEMWFRRVUFQKRK-JHJVBQTASA-N 2 0 296.415 -0.408 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926359583 658896947 /nfs/dbraw/zinc/89/69/47/658896947.db2.gz JCWPRHIYKJYDMW-GFCCVEGCSA-N 2 0 296.415 -0.264 20 0 CBADRP CCO[C@H](CN[C@@H]1C(=O)NCC12CCOCC2)C[NH+](C)C ZINC000926960526 658918712 /nfs/dbraw/zinc/91/87/12/658918712.db2.gz MJMVYXRZWGZTLL-CHWSQXEVSA-N 2 0 299.415 -0.162 20 0 CBADRP CCO[C@@H](CN[C@H]1C(=O)NCC12CCOCC2)C[NH+](C)C ZINC000926960530 658919412 /nfs/dbraw/zinc/91/94/12/658919412.db2.gz MJMVYXRZWGZTLL-STQMWFEESA-N 2 0 299.415 -0.162 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC000969722435 659012957 /nfs/dbraw/zinc/01/29/57/659012957.db2.gz PJNYIGOSUGGDAG-SDDRHHMPSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)CC[N@@H+]1C ZINC000928441901 659021734 /nfs/dbraw/zinc/02/17/34/659021734.db2.gz PXQRHDWAZWZOEQ-AGIUHOORSA-N 2 0 266.389 -0.415 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000969965519 659026626 /nfs/dbraw/zinc/02/66/26/659026626.db2.gz RMVLPCXIZFIICQ-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000928555151 659039138 /nfs/dbraw/zinc/03/91/38/659039138.db2.gz LUSGGFIETCCJFD-NWDGAFQWSA-N 2 0 252.362 -0.803 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000928571556 659049350 /nfs/dbraw/zinc/04/93/50/659049350.db2.gz OXEKVFNJOJZIOV-WCQYABFASA-N 2 0 255.362 -0.347 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC000970717179 659068029 /nfs/dbraw/zinc/06/80/29/659068029.db2.gz KGUJPRSLKANTEQ-OLZOCXBDSA-N 2 0 294.399 -0.449 20 0 CBADRP Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000970719347 659070290 /nfs/dbraw/zinc/07/02/90/659070290.db2.gz BHBIZVODBKQBDA-GFCCVEGCSA-N 2 0 292.387 -0.399 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)C(N)=O ZINC000970792742 659070825 /nfs/dbraw/zinc/07/08/25/659070825.db2.gz UGBDIRPFFNTMAH-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000971686659 659096172 /nfs/dbraw/zinc/09/61/72/659096172.db2.gz DFZTVTWQBNBXNQ-WCQYABFASA-N 2 0 296.415 -0.123 20 0 CBADRP O=C(NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1C[NH+]2CCC1CC2 ZINC000978201585 659213734 /nfs/dbraw/zinc/21/37/34/659213734.db2.gz SJQTYNFABRTSLF-TUVASFSCSA-N 2 0 293.411 -0.386 20 0 CBADRP C[C@@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978961575 659234580 /nfs/dbraw/zinc/23/45/80/659234580.db2.gz OCZMZEUIGQQOTC-SYQHCUMBSA-N 2 0 293.411 -0.243 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC000980412473 659270202 /nfs/dbraw/zinc/27/02/02/659270202.db2.gz KGYZJLTYWFCTKG-ZIAGYGMSSA-N 2 0 299.415 -0.520 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000980833820 659292765 /nfs/dbraw/zinc/29/27/65/659292765.db2.gz KVVFMBNMPVGQNN-OLZOCXBDSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000980893885 659298314 /nfs/dbraw/zinc/29/83/14/659298314.db2.gz QNEAFWXMAVGKTM-CHWSQXEVSA-N 2 0 285.388 -0.768 20 0 CBADRP C[C@@H](O)C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)C[C@@H](C)O ZINC000930533758 659302687 /nfs/dbraw/zinc/30/26/87/659302687.db2.gz SPDHNXVYSWKHNO-QJPTWQEYSA-N 2 0 275.393 -0.884 20 0 CBADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](O)[C@@H](C)O)CC1 ZINC000930664132 659318191 /nfs/dbraw/zinc/31/81/91/659318191.db2.gz ROANSPUJYVNZKS-OLZOCXBDSA-N 2 0 273.421 -0.266 20 0 CBADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](O)CO)CC1 ZINC000930664190 659318675 /nfs/dbraw/zinc/31/86/75/659318675.db2.gz SVUBJEYDWOWDFD-LBPRGKRZSA-N 2 0 259.394 -0.655 20 0 CBADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](O)[C@H](C)O)CC1 ZINC000930664134 659319020 /nfs/dbraw/zinc/31/90/20/659319020.db2.gz ROANSPUJYVNZKS-STQMWFEESA-N 2 0 273.421 -0.266 20 0 CBADRP C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986829806 659482811 /nfs/dbraw/zinc/48/28/11/659482811.db2.gz SMJGSYGLXNNTIU-PWSUYJOCSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987354935 659502599 /nfs/dbraw/zinc/50/25/99/659502599.db2.gz GHCRUZKGKZXFJL-RYUDHWBXSA-N 2 0 267.373 -0.347 20 0 CBADRP C[C@H]1C[N@H+](C[C@H](O)CO)CCN1c1cc[nH+]cc1 ZINC000931683445 659511037 /nfs/dbraw/zinc/51/10/37/659511037.db2.gz IPJMXNBENCQRCH-AAEUAGOBSA-N 2 0 251.330 -0.055 20 0 CBADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C3OCCO3)C2)CC1 ZINC000932000074 659563012 /nfs/dbraw/zinc/56/30/12/659563012.db2.gz ZVFASMZMWVUPAD-LBPRGKRZSA-N 2 0 297.399 -0.108 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CCO)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989407016 659585952 /nfs/dbraw/zinc/58/59/52/659585952.db2.gz MVZOUDGUKCMIOI-AAEUAGOBSA-N 2 0 269.389 -0.101 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC000932262123 659589455 /nfs/dbraw/zinc/58/94/55/659589455.db2.gz MGBFWAQIUINSNA-CYBMUJFWSA-N 2 0 299.415 -0.066 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CCO)CN1C(=O)COC1CC[NH+](C)CC1 ZINC000989623121 659603496 /nfs/dbraw/zinc/60/34/96/659603496.db2.gz RYCJYEWLMJKGSX-CHWSQXEVSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[N@H+](CCO)CC1 ZINC000989671160 659606726 /nfs/dbraw/zinc/60/67/26/659606726.db2.gz VCRKEMLKNDNZFV-AWEZNQCLSA-N 2 0 299.415 -0.519 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)C[NH+]1CCCC1 ZINC000989798840 659615151 /nfs/dbraw/zinc/61/51/51/659615151.db2.gz GQBCWFTWVQGIDY-GHMZBOCLSA-N 2 0 268.361 -0.854 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CCO)CN1C(=O)C[NH+]1CCCC1 ZINC000989796664 659615573 /nfs/dbraw/zinc/61/55/73/659615573.db2.gz PCXKAQPIYKPMID-RYUDHWBXSA-N 2 0 255.362 -0.347 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000990276327 659710687 /nfs/dbraw/zinc/71/06/87/659710687.db2.gz HEVKCQGFOMSUOH-LLVKDONJSA-N 2 0 268.361 -0.854 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000990275946 659710967 /nfs/dbraw/zinc/71/09/67/659710967.db2.gz FNYUMRKERIDVJK-STQMWFEESA-N 2 0 294.399 -0.450 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000990276328 659711025 /nfs/dbraw/zinc/71/10/25/659711025.db2.gz HEVKCQGFOMSUOH-NSHDSACASA-N 2 0 268.361 -0.854 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933737315 659735254 /nfs/dbraw/zinc/73/52/54/659735254.db2.gz OTUQMBCGIGMNAN-GXFFZTMASA-N 2 0 268.361 -0.284 20 0 CBADRP CC[C@@H](C(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC000990513772 659755039 /nfs/dbraw/zinc/75/50/39/659755039.db2.gz IHYYEFNULGQBOO-QWHCGFSZSA-N 2 0 296.415 -0.252 20 0 CBADRP C[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000990526381 659756599 /nfs/dbraw/zinc/75/65/99/659756599.db2.gz RJDLJJWGOXQGJG-AAEUAGOBSA-N 2 0 294.399 -0.641 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C[NH+]2CCCC2)C1 ZINC000990526549 659757003 /nfs/dbraw/zinc/75/70/03/659757003.db2.gz SCYHFKRGQPAFHO-CYBMUJFWSA-N 2 0 294.399 -0.497 20 0 CBADRP C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@H]1CN(C)CCO1 ZINC000934967727 659814041 /nfs/dbraw/zinc/81/40/41/659814041.db2.gz XQZNMWWNSVVWEF-TZMCWYRMSA-N 2 0 299.415 -0.068 20 0 CBADRP C[C@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H]1CN(C)CCO1 ZINC000934967724 659814189 /nfs/dbraw/zinc/81/41/89/659814189.db2.gz XQZNMWWNSVVWEF-JSGCOSHPSA-N 2 0 299.415 -0.068 20 0 CBADRP CC[C@H](C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC000991708329 659841506 /nfs/dbraw/zinc/84/15/06/659841506.db2.gz FKTBXKVVSDLFHE-WCQYABFASA-N 2 0 296.415 -0.395 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CO)C[NH+](C)C ZINC000935980291 659848991 /nfs/dbraw/zinc/84/89/91/659848991.db2.gz HHSVJOFOHAQMCO-NWDGAFQWSA-N 2 0 257.378 -0.102 20 0 CBADRP C[NH+]1CCC(OCC(=O)N[C@H](CO)C[NH+]2CCCC2)CC1 ZINC000935983431 659849059 /nfs/dbraw/zinc/84/90/59/659849059.db2.gz CJAIBFUXBHMKOV-ZDUSSCGKSA-N 2 0 299.415 -0.330 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(N)=O ZINC000939753926 659894506 /nfs/dbraw/zinc/89/45/06/659894506.db2.gz JSHRXBAFSXWVRV-GHMZBOCLSA-N 2 0 268.361 -0.996 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CC(N)=O ZINC000939809003 659895235 /nfs/dbraw/zinc/89/52/35/659895235.db2.gz HJCXDCYHTOSJSW-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+](C)[C@H](C(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1)C1CC1 ZINC000995896563 659910783 /nfs/dbraw/zinc/91/07/83/659910783.db2.gz ORTHCKMPFSMMJK-AAEUAGOBSA-N 2 0 296.415 -0.362 20 0 CBADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1)[NH+](C)C ZINC000995951543 659919899 /nfs/dbraw/zinc/91/98/99/659919899.db2.gz PUHYDVPIENGDNG-GHMZBOCLSA-N 2 0 284.404 -0.362 20 0 CBADRP c1cc(N2CCN3CC[NH2+]C[C@H]3C2)nc2c1C[NH2+]CC2 ZINC001164391447 718830318 /nfs/dbraw/zinc/83/03/18/718830318.db2.gz JOZQIDGEVNOQDD-ZDUSSCGKSA-N 2 0 273.384 -0.179 20 0 CBADRP Cc1cnc(N2CCN3CC[NH2+]C[C@H]3C2)nc1C1C[NH2+]C1 ZINC001164400343 718844639 /nfs/dbraw/zinc/84/46/39/718844639.db2.gz XDLWBGODSMINEZ-ZDUSSCGKSA-N 2 0 288.399 -0.434 20 0 CBADRP C[N@@H+]1CCO[C@@H]2CN(c3cc4c(nn3)CC[NH2+]C4)C[C@H]21 ZINC001164666962 719411676 /nfs/dbraw/zinc/41/16/76/719411676.db2.gz DYZZYYQEHUYBMT-CHWSQXEVSA-N 2 0 275.356 -0.359 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001076571584 805580594 /nfs/dbraw/zinc/58/05/94/805580594.db2.gz PCUUAUCOHCDKPW-UONOGXRCSA-N 2 0 281.400 -0.003 20 0 CBADRP C[NH+]1CCN(c2ccc(-n3nnnc3C[NH3+])cc2)CC1 ZINC000062493862 790341850 /nfs/dbraw/zinc/34/18/50/790341850.db2.gz RUGGOQUVDPNSHZ-UHFFFAOYSA-N 2 0 273.344 -0.127 20 0 CBADRP [NH3+]CCCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000109371620 790382650 /nfs/dbraw/zinc/38/26/50/790382650.db2.gz DHUMBSBVEUEGCD-UHFFFAOYSA-N 2 0 252.322 -0.719 20 0 CBADRP CC(C)(O)C[NH+]1CCN(c2cc(N)ncn2)CC1 ZINC000134095978 790390818 /nfs/dbraw/zinc/39/08/18/790390818.db2.gz SHSPQINLASVPSB-UHFFFAOYSA-N 2 0 251.334 -0.048 20 0 CBADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@H](O)COCCOC)C1 ZINC000300258716 790469039 /nfs/dbraw/zinc/46/90/39/790469039.db2.gz IXKJKHTWXDDYCT-OLZOCXBDSA-N 2 0 260.378 -0.058 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000321276223 790485183 /nfs/dbraw/zinc/48/51/83/790485183.db2.gz MWUUBCPPAYXVGQ-LLVKDONJSA-N 2 0 255.362 -0.489 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000321276224 790486588 /nfs/dbraw/zinc/48/65/88/790486588.db2.gz MWUUBCPPAYXVGQ-NSHDSACASA-N 2 0 255.362 -0.489 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH2+][C@H](C)[C@@H]1C ZINC000379434429 790510459 /nfs/dbraw/zinc/51/04/59/790510459.db2.gz LDLSPWXRHMKVHO-AGIUHOORSA-N 2 0 259.394 -0.392 20 0 CBADRP CS(=O)(=O)N1CCC([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000380984939 790515187 /nfs/dbraw/zinc/51/51/87/790515187.db2.gz FFXZXVPRJSUHOK-KYYPQDQFSA-N 2 0 299.440 -0.004 20 0 CBADRP CS(=O)(=O)N1CCC([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000380984942 790515365 /nfs/dbraw/zinc/51/53/65/790515365.db2.gz FFXZXVPRJSUHOK-SZZQBSIJSA-N 2 0 299.440 -0.004 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000381244131 790518293 /nfs/dbraw/zinc/51/82/93/790518293.db2.gz BWWXRXAWVXXHHE-XDSHMYFISA-N 2 0 264.417 -0.182 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)N1CCN(CCO)CC1 ZINC000383392535 790529005 /nfs/dbraw/zinc/52/90/05/790529005.db2.gz LCDVQNAIPXLSGX-QMMMGPOBSA-N 2 0 251.277 -0.895 20 0 CBADRP C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000386227996 790544501 /nfs/dbraw/zinc/54/45/01/790544501.db2.gz PJWXITSTWATDHB-GHMZBOCLSA-N 2 0 276.406 -0.839 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN(C)C1(C[NH3+])CCC1 ZINC000385492972 790541758 /nfs/dbraw/zinc/54/17/58/790541758.db2.gz PHBUVJLDWVWQFH-GFCCVEGCSA-N 2 0 259.394 -0.261 20 0 CBADRP C[NH2+][C@H]1CCCN(C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000386061928 790544742 /nfs/dbraw/zinc/54/47/42/790544742.db2.gz DQOBIUIXHMUMJI-QWHCGFSZSA-N 2 0 259.394 -0.391 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CN1CCC[C@H](C(N)=O)C1 ZINC000386117224 790545202 /nfs/dbraw/zinc/54/52/02/790545202.db2.gz MDBAIIGWRCQBGK-NWDGAFQWSA-N 2 0 257.378 -0.114 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H](C[NH3+])C1 ZINC000386199114 790545686 /nfs/dbraw/zinc/54/56/86/790545686.db2.gz WFCPRMREPHVBPR-STQMWFEESA-N 2 0 259.394 -0.404 20 0 CBADRP COC(=O)[C@@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000386029643 790546349 /nfs/dbraw/zinc/54/63/49/790546349.db2.gz YCCKAKXTXGRNQP-NEPJUHHUSA-N 2 0 256.346 -0.062 20 0 CBADRP C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000386227998 790546595 /nfs/dbraw/zinc/54/65/95/790546595.db2.gz PJWXITSTWATDHB-QWRGUYRKSA-N 2 0 276.406 -0.839 20 0 CBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000386527128 790547816 /nfs/dbraw/zinc/54/78/16/790547816.db2.gz OMLBLBQPDNBNAQ-YNEHKIRRSA-N 2 0 258.362 -0.306 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000388877075 790559628 /nfs/dbraw/zinc/55/96/28/790559628.db2.gz RRDXHTRPCITSCI-IHRRRGAJSA-N 3 0 273.421 -0.158 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394393512 790577398 /nfs/dbraw/zinc/57/73/98/790577398.db2.gz ZKGGVFWFIHGNCU-AAEUAGOBSA-N 2 0 266.389 -0.367 20 0 CBADRP C[NH2+]C[C@H]1CCN(C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000394077093 790577621 /nfs/dbraw/zinc/57/76/21/790577621.db2.gz CERBTPCEUXCQPT-OLZOCXBDSA-N 2 0 259.394 -0.533 20 0 CBADRP OC[C@H](O)C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397508896 790592308 /nfs/dbraw/zinc/59/23/08/790592308.db2.gz GJHGORHQZJEKNO-OAHLLOKOSA-N 2 0 294.395 -0.044 20 0 CBADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCNC(=O)C2)CC1 ZINC000397597801 790594431 /nfs/dbraw/zinc/59/44/31/790594431.db2.gz MLRRANFZKKKGJP-NSHDSACASA-N 2 0 255.362 -0.299 20 0 CBADRP C[C@@H]1COCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000399319519 790600308 /nfs/dbraw/zinc/60/03/08/790600308.db2.gz PONKEZWGQDTTIW-LBPRGKRZSA-N 2 0 255.362 -0.223 20 0 CBADRP CCO[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000405530601 790618351 /nfs/dbraw/zinc/61/83/51/790618351.db2.gz MQVXFNIJBQEACF-HZSPNIEDSA-N 2 0 271.405 -0.261 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000687246728 790649905 /nfs/dbraw/zinc/64/99/05/790649905.db2.gz VSRRRMWNQLRWRO-FRRDWIJNSA-N 2 0 257.378 -0.638 20 0 CBADRP CN(CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)S(C)(=O)=O ZINC000692415888 790676399 /nfs/dbraw/zinc/67/63/99/790676399.db2.gz FZBYDVATBYLKOB-JZRPKSSGSA-N 2 0 287.429 -0.146 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)CC1CCS(=O)(=O)CC1 ZINC000692912355 790678586 /nfs/dbraw/zinc/67/85/86/790678586.db2.gz JIBYSLIQEHFNFV-UHFFFAOYSA-N 2 0 289.445 -0.352 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000693575435 790682098 /nfs/dbraw/zinc/68/20/98/790682098.db2.gz VXHVRVIMJTWQQZ-BJDJZHNGSA-N 2 0 253.346 -0.297 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CCN1CCN1CCCS1(=O)=O ZINC000695077277 790687479 /nfs/dbraw/zinc/68/74/79/790687479.db2.gz ZJFWIDVFVBTAPG-WDEREUQCSA-N 2 0 261.391 -0.167 20 0 CBADRP C[C@H]1CN(CCN2CCCS2(=O)=O)CC[C@H]1[NH3+] ZINC000695042675 790687104 /nfs/dbraw/zinc/68/71/04/790687104.db2.gz OHFFPCSZDUWVKP-WDEREUQCSA-N 2 0 261.391 -0.309 20 0 CBADRP C[C@H]1C[N@H+](CCN2C(=O)CNC2=O)CC[C@@H]1C[NH3+] ZINC000695399397 790688842 /nfs/dbraw/zinc/68/88/42/790688842.db2.gz JYHPYAFWFCMDJS-VHSXEESVSA-N 2 0 254.334 -0.545 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000715844391 790751497 /nfs/dbraw/zinc/75/14/97/790751497.db2.gz DWGHGHXIPQQCTF-WDEREUQCSA-N 2 0 253.346 -0.343 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000715844379 790752084 /nfs/dbraw/zinc/75/20/84/790752084.db2.gz DWGHGHXIPQQCTF-GHMZBOCLSA-N 2 0 253.346 -0.343 20 0 CBADRP O[C@H](CN1CCOCC1)CN1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000714976506 790752238 /nfs/dbraw/zinc/75/22/38/790752238.db2.gz WAPCERSMSTUPHV-ZNMIVQPWSA-N 2 0 283.416 -0.247 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720885041 790772985 /nfs/dbraw/zinc/77/29/85/790772985.db2.gz CEKOCXBPVWRQEL-VXGBXAGGSA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720904871 790774291 /nfs/dbraw/zinc/77/42/91/790774291.db2.gz XMABXWJOFKHCOQ-SDDRHHMPSA-N 2 0 254.378 -0.430 20 0 CBADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000720905578 790774852 /nfs/dbraw/zinc/77/48/52/790774852.db2.gz DJTAGSOKGNHCDT-FIQHERPVSA-N 2 0 253.346 -0.202 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000723553932 790799398 /nfs/dbraw/zinc/79/93/98/790799398.db2.gz WUJRSZFKFZHFID-RYUDHWBXSA-N 2 0 257.378 -0.243 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723887642 790802329 /nfs/dbraw/zinc/80/23/29/790802329.db2.gz WFFFKFJPEBKQOC-NXEZZACHSA-N 2 0 256.350 -0.251 20 0 CBADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000723672848 790803411 /nfs/dbraw/zinc/80/34/11/790803411.db2.gz SMCKJWBHEMKMJU-NEPJUHHUSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000723672851 790803476 /nfs/dbraw/zinc/80/34/76/790803476.db2.gz SMCKJWBHEMKMJU-VXGBXAGGSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]CC1(O)CC[NH+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000724589069 790807757 /nfs/dbraw/zinc/80/77/57/790807757.db2.gz FFOLXVXRJFBTMT-WOPDTQHZSA-N 2 0 256.346 -0.424 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020675680 790939541 /nfs/dbraw/zinc/93/95/41/790939541.db2.gz ARDLCSNVKWBJJB-JHJVBQTASA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001021906425 790968501 /nfs/dbraw/zinc/96/85/01/790968501.db2.gz NVQHFIYDRUVWJG-MMWGEVLESA-N 2 0 268.361 -0.809 20 0 CBADRP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)[NH+]1CCCCC1 ZINC001022077316 790986657 /nfs/dbraw/zinc/98/66/57/790986657.db2.gz OFMHCTVRHAEBTF-TXEJJXNPSA-N 2 0 296.415 -0.027 20 0 CBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001022089160 790989278 /nfs/dbraw/zinc/98/92/78/790989278.db2.gz FLTZPZQFCVCNPJ-FRRDWIJNSA-N 2 0 267.373 -0.443 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)C(N)=O)C2)CC[N@@H+]1C ZINC001022105953 790990803 /nfs/dbraw/zinc/99/08/03/790990803.db2.gz CHFQVVCOSIWJCY-NAWOPXAZSA-N 2 0 296.415 -0.173 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022195942 790995551 /nfs/dbraw/zinc/99/55/51/790995551.db2.gz JWENYHUIZDJXBP-UPJWGTAASA-N 2 0 296.415 -0.314 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001022492790 791017192 /nfs/dbraw/zinc/01/71/92/791017192.db2.gz HZTTWMGAJRDGQG-MBNYWOFBSA-N 2 0 294.399 -0.417 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022717167 791040968 /nfs/dbraw/zinc/04/09/68/791040968.db2.gz RRFGRQKQTAFYMZ-NNYUYHANSA-N 2 0 255.362 -0.587 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001022716483 791041048 /nfs/dbraw/zinc/04/10/48/791041048.db2.gz XTMUOYFIAFKVPT-FVCCEPFGSA-N 2 0 294.399 -0.547 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1)C(N)=O ZINC001022712676 791041502 /nfs/dbraw/zinc/04/15/02/791041502.db2.gz XIXZKVLBCXZPQZ-RVMXOQNASA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022712454 791042204 /nfs/dbraw/zinc/04/22/04/791042204.db2.gz QRLOIWRGLKNLGF-SDDRHHMPSA-N 2 0 255.362 -0.300 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC)C[C@H]2O)CC[N@@H+]1C ZINC001077028328 805673604 /nfs/dbraw/zinc/67/36/04/805673604.db2.gz BLVUNCFQRFAYDF-UMSGYPCISA-N 2 0 269.389 -0.102 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001077128150 805687976 /nfs/dbraw/zinc/68/79/76/805687976.db2.gz ZFQNRUBRVQSTMW-MGPQQGTHSA-N 2 0 299.415 -0.882 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001147893450 814924499 /nfs/dbraw/zinc/92/44/99/814924499.db2.gz QQEJTYQKSJKDFK-GHMZBOCLSA-N 2 0 270.377 -0.702 20 0 CBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@@H]1CCCCO1 ZINC001147894049 814924762 /nfs/dbraw/zinc/92/47/62/814924762.db2.gz ZFLUYIQLRIPXDO-ZDUSSCGKSA-N 2 0 287.404 -0.161 20 0 CBADRP Cc1ncoc1C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147893708 814925072 /nfs/dbraw/zinc/92/50/72/814925072.db2.gz RQNGRKPDWQWWKU-UHFFFAOYSA-N 2 0 284.360 -0.233 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001077675722 805768409 /nfs/dbraw/zinc/76/84/09/805768409.db2.gz WPOMACMLOBNKPT-YNEHKIRRSA-N 2 0 285.388 -0.986 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001147892966 814925253 /nfs/dbraw/zinc/92/52/53/814925253.db2.gz MMZJAJAZYMJEGG-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011653 805821514 /nfs/dbraw/zinc/82/15/14/805821514.db2.gz APJKHGANAFSJFF-CHWSQXEVSA-N 2 0 281.400 -0.101 20 0 CBADRP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012177 805823125 /nfs/dbraw/zinc/82/31/25/805823125.db2.gz XKLIIXOKFXVCMW-VXGBXAGGSA-N 2 0 267.373 -0.347 20 0 CBADRP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078006032 805823251 /nfs/dbraw/zinc/82/32/51/805823251.db2.gz QCVNCCXEYDVSAL-YNEHKIRRSA-N 2 0 285.388 -0.864 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080940039 806015673 /nfs/dbraw/zinc/01/56/73/806015673.db2.gz VBPIHGIIFILKAS-GRYCIOLGSA-N 2 0 255.362 -0.633 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977343 814928292 /nfs/dbraw/zinc/92/82/92/814928292.db2.gz OZYSFCIEIITOFG-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082200916 806153298 /nfs/dbraw/zinc/15/32/98/806153298.db2.gz AGCUHPKHMNPLFM-ZIAGYGMSSA-N 2 0 299.415 -0.474 20 0 CBADRP COCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001082328652 806164011 /nfs/dbraw/zinc/16/40/11/806164011.db2.gz DXHZFXYVXXIOHE-CHWSQXEVSA-N 2 0 297.399 -0.456 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CCO ZINC001082515273 806184859 /nfs/dbraw/zinc/18/48/59/806184859.db2.gz HDQGXQATKJAGGN-MRVWCRGKSA-N 2 0 281.400 -0.243 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCO ZINC001082861703 806197359 /nfs/dbraw/zinc/19/73/59/806197359.db2.gz LYEOXQZSTXACNQ-FRRDWIJNSA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1 ZINC001082923510 806198668 /nfs/dbraw/zinc/19/86/68/806198668.db2.gz MTIGGWJICHJFAQ-MGPQQGTHSA-N 2 0 299.415 -0.617 20 0 CBADRP COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465909 806336008 /nfs/dbraw/zinc/33/60/08/806336008.db2.gz XTRNWJILSURUJN-MCIONIFRSA-N 2 0 297.399 -0.864 20 0 CBADRP CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750267 806423451 /nfs/dbraw/zinc/42/34/51/806423451.db2.gz NGXWSOPHKUPKGZ-OLZOCXBDSA-N 2 0 269.389 -0.101 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148051211 814930866 /nfs/dbraw/zinc/93/08/66/814930866.db2.gz CEVPPOUCKUZLCC-UHFFFAOYSA-N 2 0 293.371 -0.397 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2O)C1 ZINC001083780676 806430733 /nfs/dbraw/zinc/43/07/33/806430733.db2.gz GLBJDYACMKOKGF-UPJWGTAASA-N 2 0 287.379 -0.151 20 0 CBADRP CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781660 806431411 /nfs/dbraw/zinc/43/14/11/806431411.db2.gz QLMIEYRONKHGIZ-UPJWGTAASA-N 2 0 269.389 -0.101 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778964 806432613 /nfs/dbraw/zinc/43/26/13/806432613.db2.gz FDCFXRPEPBAKAA-UTUOFQBUSA-N 2 0 255.362 -0.348 20 0 CBADRP CC(C)[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083954848 806468379 /nfs/dbraw/zinc/46/83/79/806468379.db2.gz LLHOPEBMLKXWAO-UPJWGTAASA-N 2 0 269.389 -0.102 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2O)C1 ZINC001084053707 806480197 /nfs/dbraw/zinc/48/01/97/806480197.db2.gz HYMFIYJMADGMOT-UTUOFQBUSA-N 2 0 273.352 -0.541 20 0 CBADRP CC(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084056698 806480998 /nfs/dbraw/zinc/48/09/98/806480998.db2.gz KHRULUZXFJQEPY-UPJWGTAASA-N 2 0 269.389 -0.245 20 0 CBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084347367 806514911 /nfs/dbraw/zinc/51/49/11/806514911.db2.gz OJIKZFDFBUWSAQ-RBSFLKMASA-N 2 0 293.411 -0.147 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](CCO)C[C@H]32)C1 ZINC001084662874 806531175 /nfs/dbraw/zinc/53/11/75/806531175.db2.gz AXCJMEXCADNWKY-BFHYXJOUSA-N 2 0 281.400 -0.147 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085332359 806553962 /nfs/dbraw/zinc/55/39/62/806553962.db2.gz UNYMGCJCNMVLJW-JHJVBQTASA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCO)CC[N@@H+]1C ZINC001085606407 806585150 /nfs/dbraw/zinc/58/51/50/806585150.db2.gz MAGBGJWQZRVREZ-JHJVBQTASA-N 2 0 269.389 -0.148 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCO)CC[N@@H+]1C ZINC001085606406 806585340 /nfs/dbraw/zinc/58/53/40/806585340.db2.gz MAGBGJWQZRVREZ-FRRDWIJNSA-N 2 0 269.389 -0.148 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001086047070 806638530 /nfs/dbraw/zinc/63/85/30/806638530.db2.gz CSFVMNXUUGOETQ-YFKTTZPYSA-N 2 0 282.388 -0.561 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086046430 806639630 /nfs/dbraw/zinc/63/96/30/806639630.db2.gz YIWBXRAGOLWRLZ-AXFHLTTASA-N 2 0 268.361 -0.950 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001022838388 798843489 /nfs/dbraw/zinc/84/34/89/798843489.db2.gz MNXUATOKEDRXLT-QNWHQSFQSA-N 2 0 294.399 -0.275 20 0 CBADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC001022885893 798863615 /nfs/dbraw/zinc/86/36/15/798863615.db2.gz VCXAPIHBTHECQK-TXEJJXNPSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022975724 798870520 /nfs/dbraw/zinc/87/05/20/798870520.db2.gz SJEFUSMKUTZAHW-FVCCEPFGSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1)C(N)=O ZINC001023029616 798874871 /nfs/dbraw/zinc/87/48/71/798874871.db2.gz CSBCOSLMXPPPGP-FJJYHAOUSA-N 2 0 294.399 -0.417 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001023086669 798879299 /nfs/dbraw/zinc/87/92/99/798879299.db2.gz SZASUUBNTYJYKE-WYUUTHIRSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001023083886 798880347 /nfs/dbraw/zinc/88/03/47/798880347.db2.gz CGLUCNZFXSIBJV-YTWAJWBKSA-N 2 0 268.361 -0.951 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC001023086335 798880483 /nfs/dbraw/zinc/88/04/83/798880483.db2.gz IKLWJSLLCJWZFC-RWMBFGLXSA-N 2 0 292.387 -0.533 20 0 CBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001023125893 798885544 /nfs/dbraw/zinc/88/55/44/798885544.db2.gz ZSKKORDICHFBDT-FIQHERPVSA-N 2 0 282.388 -0.419 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001023273146 798896673 /nfs/dbraw/zinc/89/66/73/798896673.db2.gz JSDAQGGZSANTSP-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001023744100 798919703 /nfs/dbraw/zinc/91/97/03/798919703.db2.gz INKWJDCYODRQPL-QWHCGFSZSA-N 2 0 296.415 -0.488 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001025707991 798971648 /nfs/dbraw/zinc/97/16/48/798971648.db2.gz IBCZPPDLIUJKAD-FHUSYTEZSA-N 2 0 294.399 -0.609 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025707967 798971963 /nfs/dbraw/zinc/97/19/63/798971963.db2.gz FCKCCKMHBQAIPP-FHUSYTEZSA-N 2 0 292.383 -0.985 20 0 CBADRP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001025708336 798972265 /nfs/dbraw/zinc/97/22/65/798972265.db2.gz PGOZZTKUSNBVOX-KIJLLGNVSA-N 2 0 294.399 -0.739 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001025787214 798976757 /nfs/dbraw/zinc/97/67/57/798976757.db2.gz AROKOIFXSCBENA-OLOXDWRXSA-N 2 0 293.411 -0.245 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001026143010 798991238 /nfs/dbraw/zinc/99/12/38/798991238.db2.gz GXIGPXQHWDTTKK-JAAXMTQOSA-N 2 0 293.411 -0.101 20 0 CBADRP O=C(N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001026402299 799004235 /nfs/dbraw/zinc/00/42/35/799004235.db2.gz DOHRORNOKAYOQB-MJBXVCDLSA-N 2 0 293.411 -0.099 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC2CCC([NH2+]CC(N)=O)CC2)C1 ZINC001026592438 799010689 /nfs/dbraw/zinc/01/06/89/799010689.db2.gz ASFCWWCAQFUVIG-PNESKVBLSA-N 2 0 296.415 -0.170 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027218081 799033761 /nfs/dbraw/zinc/03/37/61/799033761.db2.gz XJHDMYMKTMFJMO-CHWSQXEVSA-N 2 0 294.399 -0.591 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCO ZINC001027789320 799079329 /nfs/dbraw/zinc/07/93/29/799079329.db2.gz HFHKRHFDPUJYFW-NEPJUHHUSA-N 2 0 255.362 -0.347 20 0 CBADRP CN(C)C(=O)CN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001028313943 799120884 /nfs/dbraw/zinc/12/08/84/799120884.db2.gz DERWWKQLVPSGRG-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001028447095 799138000 /nfs/dbraw/zinc/13/80/00/799138000.db2.gz LUZANUXQKWEVOE-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP NC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028546331 799151913 /nfs/dbraw/zinc/15/19/13/799151913.db2.gz ZEBNVPNOTCZRTI-YPMHNXCESA-N 2 0 294.399 -0.748 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001028549480 799152065 /nfs/dbraw/zinc/15/20/65/799152065.db2.gz RAUCGWZNIQHEKX-JHJVBQTASA-N 2 0 296.415 -0.489 20 0 CBADRP O=C(NC[C@@H]1CC[N@@H+](CCCO)C1)C12CC[NH+](CC1)C2 ZINC001028930200 799181713 /nfs/dbraw/zinc/18/17/13/799181713.db2.gz BBJSMTHNYNAGAX-ZDUSSCGKSA-N 2 0 281.400 -0.097 20 0 CBADRP O=C(N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO)C12CC[NH+](CC1)C2 ZINC001029555464 799202724 /nfs/dbraw/zinc/20/27/24/799202724.db2.gz SZOYGSAJVHJRCX-BETUJISGSA-N 2 0 279.384 -0.250 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCCO)C1 ZINC001029584024 799202795 /nfs/dbraw/zinc/20/27/95/799202795.db2.gz MKEXNDKBEBTIQU-MELADBBJSA-N 2 0 281.400 -0.004 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001029552770 799202827 /nfs/dbraw/zinc/20/28/27/799202827.db2.gz CVKUMIGLOLEHTH-MCIONIFRSA-N 2 0 281.400 -0.004 20 0 CBADRP CC[C@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001030020197 799211573 /nfs/dbraw/zinc/21/15/73/799211573.db2.gz XPBPAEOXZOHVGX-RWMBFGLXSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1)[NH+](C)C ZINC001030021681 799214486 /nfs/dbraw/zinc/21/44/86/799214486.db2.gz YZCCFHXONFNJEC-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP CN1CCO[C@H](C(=O)NC2CN(CC[C@H]3CCOC3)C2)C1 ZINC001030185101 799260546 /nfs/dbraw/zinc/26/05/46/799260546.db2.gz ZMHHMLCQTRKGOJ-JSGCOSHPSA-N 2 0 297.399 -0.456 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC2C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001031384821 799480887 /nfs/dbraw/zinc/48/08/87/799480887.db2.gz NDLAQBLQHKCXRJ-NEPJUHHUSA-N 2 0 267.373 -0.225 20 0 CBADRP O=C(NCC1C[NH+](CCO)C1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001031669639 799531048 /nfs/dbraw/zinc/53/10/48/799531048.db2.gz PUPTZKFESMMGAT-KBPBESRZSA-N 2 0 281.400 -0.099 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CCO)C2)CC[N@@H+]1C ZINC001031681290 799532318 /nfs/dbraw/zinc/53/23/18/799532318.db2.gz MAIIFGRHTNCSPY-ZYHUDNBSSA-N 2 0 255.362 -0.633 20 0 CBADRP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681658 799532611 /nfs/dbraw/zinc/53/26/11/799532611.db2.gz DFJGYDNOAXJXOY-NQBHXWOUSA-N 2 0 269.389 -0.245 20 0 CBADRP CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001031688947 799533688 /nfs/dbraw/zinc/53/36/88/799533688.db2.gz OILBZQODFMZULL-CHWSQXEVSA-N 2 0 267.373 -0.083 20 0 CBADRP CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031856875 799552309 /nfs/dbraw/zinc/55/23/09/799552309.db2.gz LADFTCXEXFRXEP-GLWUULTISA-N 2 0 279.384 -0.083 20 0 CBADRP C[NH+]1CCC(C(=O)NCC2C[NH+](CCO)C2)CC1 ZINC001031948448 799565125 /nfs/dbraw/zinc/56/51/25/799565125.db2.gz ARHLTJAYVDBKSW-UHFFFAOYSA-N 2 0 255.362 -0.632 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031977081 799567912 /nfs/dbraw/zinc/56/79/12/799567912.db2.gz WDJASBVIALNGIQ-PWSUYJOCSA-N 2 0 255.362 -0.776 20 0 CBADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCO)CC1 ZINC001032603249 799647991 /nfs/dbraw/zinc/64/79/91/799647991.db2.gz TVZNMAUPZLRJNO-KBPBESRZSA-N 2 0 281.400 -0.004 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCO)C1 ZINC001032781336 799667492 /nfs/dbraw/zinc/66/74/92/799667492.db2.gz RBDBHLCMVYOSBU-AVGNSLFASA-N 2 0 267.373 -0.394 20 0 CBADRP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCO)C1 ZINC001033595743 799769993 /nfs/dbraw/zinc/76/99/93/799769993.db2.gz UWFVGKSDVNHVIM-OLZOCXBDSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033596464 799771605 /nfs/dbraw/zinc/77/16/05/799771605.db2.gz ZSXKFKXUUCDXRI-OLZOCXBDSA-N 2 0 281.400 -0.004 20 0 CBADRP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033664273 799777606 /nfs/dbraw/zinc/77/76/06/799777606.db2.gz FAFXFVKJJUXHMD-CYBMUJFWSA-N 2 0 269.389 -0.003 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](CCO)C2)C1 ZINC001034523968 799844707 /nfs/dbraw/zinc/84/47/07/799844707.db2.gz CVDBOLNBIVRWCC-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001034606923 799848037 /nfs/dbraw/zinc/84/80/37/799848037.db2.gz IBCUXNKNAJUYAF-CYDGBPFRSA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034736596 799854271 /nfs/dbraw/zinc/85/42/71/799854271.db2.gz XTPCSNUPTBLJEG-AVGNSLFASA-N 2 0 296.415 -0.027 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCO)CC2)C1 ZINC001034792915 799855536 /nfs/dbraw/zinc/85/55/36/799855536.db2.gz OSCNWGXKBCIEPN-JHJVBQTASA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1[NH2+]CC(N)=O ZINC001036264522 799985599 /nfs/dbraw/zinc/98/55/99/799985599.db2.gz ITMINGQWWSZFMC-RYUDHWBXSA-N 2 0 294.399 -0.606 20 0 CBADRP NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001036895787 800011506 /nfs/dbraw/zinc/01/15/06/800011506.db2.gz DPNXCBNHQWQXTM-CHWSQXEVSA-N 2 0 294.399 -0.510 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCCO)CC1 ZINC001038671461 801236006 /nfs/dbraw/zinc/23/60/06/801236006.db2.gz QCELHMOZOGGLRS-ZDUSSCGKSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038927687 801268845 /nfs/dbraw/zinc/26/88/45/801268845.db2.gz YZLJESFJMGGPST-RYUDHWBXSA-N 2 0 267.373 -0.347 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[NH+](CC(N)=O)C2)C1 ZINC001041141926 801368721 /nfs/dbraw/zinc/36/87/21/801368721.db2.gz RRVODYSFGVLBFJ-IUODEOHRSA-N 2 0 294.399 -0.510 20 0 CBADRP NC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001041835749 801422832 /nfs/dbraw/zinc/42/28/32/801422832.db2.gz WNQJCAWMWUKLHU-HNNXBMFYSA-N 2 0 294.399 -0.508 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044629684 801660902 /nfs/dbraw/zinc/66/09/02/801660902.db2.gz ONYPWUDOSUYZFF-NEPJUHHUSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001045389076 801693391 /nfs/dbraw/zinc/69/33/91/801693391.db2.gz FUIQDUQQXQEXMW-NEPJUHHUSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001045389083 801694149 /nfs/dbraw/zinc/69/41/49/801694149.db2.gz FUIQDUQQXQEXMW-VXGBXAGGSA-N 2 0 296.415 -0.075 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCO)C1 ZINC001046197857 801739338 /nfs/dbraw/zinc/73/93/38/801739338.db2.gz RSRBTTDPVHIQEZ-AAEUAGOBSA-N 2 0 255.362 -0.347 20 0 CBADRP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047324278 801834739 /nfs/dbraw/zinc/83/47/39/801834739.db2.gz MRJWMSKYVXKBLS-WOPDTQHZSA-N 2 0 255.362 -0.396 20 0 CBADRP CC(C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001047324467 801835277 /nfs/dbraw/zinc/83/52/77/801835277.db2.gz PXXKGBHHYOJCOA-AVGNSLFASA-N 2 0 269.389 -0.008 20 0 CBADRP C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048723484 801957062 /nfs/dbraw/zinc/95/70/62/801957062.db2.gz FZPVOKDXDGRLPC-FQUUOJAGSA-N 2 0 281.400 -0.148 20 0 CBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001048823580 801971427 /nfs/dbraw/zinc/97/14/27/801971427.db2.gz FKCLKAPRAIUNLD-ZNMIVQPWSA-N 2 0 293.411 -0.289 20 0 CBADRP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)CCC1 ZINC001048860379 801976505 /nfs/dbraw/zinc/97/65/05/801976505.db2.gz RKCMASJEUSZSDT-BETUJISGSA-N 2 0 281.400 -0.147 20 0 CBADRP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC)C[C@@H]2C1)[NH+](C)C ZINC001048890580 801977647 /nfs/dbraw/zinc/97/76/47/801977647.db2.gz JOIBXZFEVWQBQZ-FRRDWIJNSA-N 2 0 296.415 -0.537 20 0 CBADRP COCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049212370 802007016 /nfs/dbraw/zinc/00/70/16/802007016.db2.gz BKLLJMWGXUHMRO-MELADBBJSA-N 2 0 281.400 -0.025 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2C[NH+](CCO)C[C@H]21 ZINC001049995001 802047954 /nfs/dbraw/zinc/04/79/54/802047954.db2.gz DWPSDGUENAQLHF-MELADBBJSA-N 2 0 281.400 -0.004 20 0 CBADRP CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001051495129 802148564 /nfs/dbraw/zinc/14/85/64/802148564.db2.gz ZUAYBHOFRQFTLM-VXGBXAGGSA-N 2 0 255.362 -0.083 20 0 CBADRP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052937724 802225918 /nfs/dbraw/zinc/22/59/18/802225918.db2.gz NBTRZHQYPZTRCX-LBPRGKRZSA-N 2 0 282.388 -0.462 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC001054298327 802333442 /nfs/dbraw/zinc/33/34/42/802333442.db2.gz FKHMPERYHUUPLC-UTUOFQBUSA-N 2 0 284.404 -0.219 20 0 CBADRP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCNC1=O)C2 ZINC001148210303 814934345 /nfs/dbraw/zinc/93/43/45/814934345.db2.gz JUNYYMZFSWTBPA-LBPRGKRZSA-N 2 0 294.399 -0.639 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099988337 810985161 /nfs/dbraw/zinc/98/51/61/810985161.db2.gz HDUUTXDMSLKOIE-NEPJUHHUSA-N 2 0 257.378 -0.102 20 0 CBADRP [NH3+]CC(=O)NCC(=O)NCc1ccn2ccnc2c1 ZINC001118135538 812474955 /nfs/dbraw/zinc/47/49/55/812474955.db2.gz ISPPUJRELRGWJO-UHFFFAOYSA-N 2 0 261.285 -0.975 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001119294489 812744244 /nfs/dbraw/zinc/74/42/44/812744244.db2.gz DAHWLUJNSXKUSD-NSHDSACASA-N 2 0 272.393 -0.312 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC001117978266 812461806 /nfs/dbraw/zinc/46/18/06/812461806.db2.gz HQGNMFULYMAOCY-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)CC2 ZINC001119619273 812836412 /nfs/dbraw/zinc/83/64/12/812836412.db2.gz XULCGBBMVYZQKI-CYDGBPFRSA-N 3 0 269.389 -0.333 20 0 CBADRP NC(=O)CC[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC001119683162 812865890 /nfs/dbraw/zinc/86/58/90/812865890.db2.gz ZHDPIWYIQGKGIX-RHYQMDGZSA-N 2 0 255.362 -0.186 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC001119682429 812866299 /nfs/dbraw/zinc/86/62/99/812866299.db2.gz JDTAGMNNSKGTAD-YHQUGGNUSA-N 2 0 269.389 -0.632 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C[NH+]1CCC(CO)CC1 ZINC001121930849 813091417 /nfs/dbraw/zinc/09/14/17/813091417.db2.gz VFTWMSSOXAXFIU-NSHDSACASA-N 2 0 255.362 -0.489 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@H]([NH3+])Cc1ccccn1 ZINC001121930528 813092107 /nfs/dbraw/zinc/09/21/07/813092107.db2.gz LEKSQRSYQNZQPZ-GFCCVEGCSA-N 2 0 266.345 -0.696 20 0 CBADRP COCC[NH2+]CCNC(=O)c1cc2n(n1)CCC[C@H]2[NH3+] ZINC001121930823 813092255 /nfs/dbraw/zinc/09/22/55/813092255.db2.gz UVYLZJCVJWPBSW-SNVBAGLBSA-N 2 0 281.360 -0.358 20 0 CBADRP CSCC[C@H]([NH3+])CC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001122014747 813105232 /nfs/dbraw/zinc/10/52/32/813105232.db2.gz GGWJQZOLOPAJMY-UWVGGRQHSA-N 2 0 261.391 -0.357 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001122021790 813105515 /nfs/dbraw/zinc/10/55/15/813105515.db2.gz ANAHFCXURPPPAJ-BYNQJWBRSA-N 2 0 267.373 -0.144 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1CSCC[NH2+]1 ZINC001122101197 813118301 /nfs/dbraw/zinc/11/83/01/813118301.db2.gz YBUNBXLSVSLMLN-VHSXEESVSA-N 2 0 261.391 -0.880 20 0 CBADRP C[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCN2C)[C@@H]1CC[NH3+] ZINC001122126609 813121385 /nfs/dbraw/zinc/12/13/85/813121385.db2.gz JEUGHKZRKLRRPI-UPJWGTAASA-N 2 0 268.405 -0.134 20 0 CBADRP C[NH2+]C1CC(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001122175958 813127786 /nfs/dbraw/zinc/12/77/86/813127786.db2.gz ROSGIZBVQRGNQG-MOENNCHZSA-N 2 0 255.362 -0.443 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC001122400341 813159865 /nfs/dbraw/zinc/15/98/65/813159865.db2.gz AOOZQBNHZUSJNZ-BDAKNGLRSA-N 2 0 265.304 -0.194 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C[C@@H](O)C[NH3+])C[C@H]2C1 ZINC001122427611 813163765 /nfs/dbraw/zinc/16/37/65/813163765.db2.gz CBYVMUYHWBNZAO-FDYHWXHSSA-N 2 0 269.389 -0.115 20 0 CBADRP C[NH2+]C1CC(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)C1 ZINC001122449048 813166460 /nfs/dbraw/zinc/16/64/60/813166460.db2.gz RGVDADCHSCQIEQ-YWPUVAFDSA-N 2 0 268.405 -0.265 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001129356113 813837434 /nfs/dbraw/zinc/83/74/34/813837434.db2.gz BLXRQEKTGHAOCM-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C(N)=O ZINC001129329534 813837581 /nfs/dbraw/zinc/83/75/81/813837581.db2.gz YDNFHLSTJVEPSX-QWHCGFSZSA-N 2 0 298.431 -0.066 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129328154 813837926 /nfs/dbraw/zinc/83/79/26/813837926.db2.gz MFXDGONJKPNDBG-CHWSQXEVSA-N 2 0 298.431 -0.195 20 0 CBADRP C[NH+](C)C1(C(=O)NCC[NH2+][C@@H]2CCCNC2=O)CCC1 ZINC001129357528 813838081 /nfs/dbraw/zinc/83/80/81/813838081.db2.gz NSRULLXCTIGVSI-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129328164 813838173 /nfs/dbraw/zinc/83/81/73/813838173.db2.gz MFXDGONJKPNDBG-STQMWFEESA-N 2 0 298.431 -0.195 20 0 CBADRP CC(C)N1CC[C@H]([NH2+]CCNC(=O)CC[NH+](C)C)C1=O ZINC001133291689 814237210 /nfs/dbraw/zinc/23/72/10/814237210.db2.gz WKDLXIKKMHQLTI-LBPRGKRZSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294632 814237250 /nfs/dbraw/zinc/23/72/50/814237250.db2.gz NWUVEEPMLIIRHJ-UHFFFAOYSA-N 2 0 258.366 -0.832 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001133291485 814238154 /nfs/dbraw/zinc/23/81/54/814238154.db2.gz RPIGHOSMCZRYCS-CYBMUJFWSA-N 2 0 287.404 -0.161 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(C)C)[NH+](C)C ZINC001133983104 814332620 /nfs/dbraw/zinc/33/26/20/814332620.db2.gz ZVIPVNBSSCSEIX-NSHDSACASA-N 2 0 272.393 -0.443 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001133983015 814332662 /nfs/dbraw/zinc/33/26/62/814332662.db2.gz UZMIPBUEBDPMSL-NSHDSACASA-N 2 0 268.365 -0.639 20 0 CBADRP C[NH+](C)CCCCC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001148360263 814939867 /nfs/dbraw/zinc/93/98/67/814939867.db2.gz PDANJXYELBJYKD-UHFFFAOYSA-N 2 0 293.433 -0.531 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001160453970 815623235 /nfs/dbraw/zinc/62/32/35/815623235.db2.gz IEPCFDMMZMFYST-GFCCVEGCSA-N 2 0 299.419 -0.438 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160453562 815623428 /nfs/dbraw/zinc/62/34/28/815623428.db2.gz AWNLKFZZEYMJPR-LBPRGKRZSA-N 3 0 288.461 -0.194 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+]([C@H](C)C(N)=O)C2 ZINC001148548433 814949534 /nfs/dbraw/zinc/94/95/34/814949534.db2.gz SMDGKUTTXWCKGX-GFCCVEGCSA-N 2 0 296.415 -0.264 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1cnnn1C ZINC001148638091 814954123 /nfs/dbraw/zinc/95/41/23/814954123.db2.gz BRDFYYWKGCOMBS-UHFFFAOYSA-N 2 0 268.365 -0.637 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1ccnn1C ZINC001148638822 814954395 /nfs/dbraw/zinc/95/43/95/814954395.db2.gz TXKABGRMSNESHY-UHFFFAOYSA-N 2 0 267.377 -0.032 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NCC ZINC001148639022 814954571 /nfs/dbraw/zinc/95/45/71/814954571.db2.gz YGGWXLTVIPYLLH-UHFFFAOYSA-N 2 0 258.366 -0.830 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001148638058 814954765 /nfs/dbraw/zinc/95/47/65/814954765.db2.gz AFFFZPYMEKWTSG-UHFFFAOYSA-N 2 0 270.377 -0.687 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001322366719 803891740 /nfs/dbraw/zinc/89/17/40/803891740.db2.gz WUQBAQPMSKPMPS-UHFFFAOYSA-N 2 0 268.405 -0.215 20 0 CBADRP CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001322678574 803926693 /nfs/dbraw/zinc/92/66/93/803926693.db2.gz PSEWEQHDOLCEOY-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001322832223 803944647 /nfs/dbraw/zinc/94/46/47/803944647.db2.gz TXXHLJSPKPCBIQ-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001325390490 804282420 /nfs/dbraw/zinc/28/24/20/804282420.db2.gz CCKRDNSFHXDMEC-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001325703099 804306054 /nfs/dbraw/zinc/30/60/54/804306054.db2.gz KNSNMPBAEWHSSR-RWMBFGLXSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001325705344 804306989 /nfs/dbraw/zinc/30/69/89/804306989.db2.gz SKSHQKSEPQCCAD-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[NH+](CCO)CCCO2)C1 ZINC001150598348 815037035 /nfs/dbraw/zinc/03/70/35/815037035.db2.gz ZTHDVMBIZMLJOB-KGLIPLIRSA-N 2 0 299.415 -0.472 20 0 CBADRP COCC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150714971 815041059 /nfs/dbraw/zinc/04/10/59/815041059.db2.gz JBOIFYLZHDXFAJ-CQSZACIVSA-N 2 0 299.415 -0.064 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cn2cccnc2n1 ZINC001150839149 815047028 /nfs/dbraw/zinc/04/70/28/815047028.db2.gz FXQXNFQEJNUONT-UHFFFAOYSA-N 2 0 275.316 -0.196 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001151049173 815051790 /nfs/dbraw/zinc/05/17/90/815051790.db2.gz JGXFIVPFQIVJIY-LBPRGKRZSA-N 2 0 282.388 -0.734 20 0 CBADRP Cn1ccc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)cc1=O ZINC001151049177 815051914 /nfs/dbraw/zinc/05/19/14/815051914.db2.gz JIBBKYLHAWKOSR-ZDUSSCGKSA-N 2 0 292.383 -0.457 20 0 CBADRP Cc1nn(C)cc1C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049040 815052389 /nfs/dbraw/zinc/05/23/89/815052389.db2.gz IDUYWYZJUGJHKV-LBPRGKRZSA-N 2 0 279.388 -0.114 20 0 CBADRP CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049034 815052617 /nfs/dbraw/zinc/05/26/17/815052617.db2.gz HVGQUMNFQQEQDF-OLZOCXBDSA-N 2 0 298.431 -0.195 20 0 CBADRP CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070276483 805179471 /nfs/dbraw/zinc/17/94/71/805179471.db2.gz JBEGCYGUMSTRPX-AGIUHOORSA-N 2 0 294.403 -0.020 20 0 CBADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001151064977 815054955 /nfs/dbraw/zinc/05/49/55/815054955.db2.gz GLDGPJIOPKRQGB-AAEUAGOBSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151065135 815055399 /nfs/dbraw/zinc/05/53/99/815055399.db2.gz GZPHMXMTESZCLN-NEPJUHHUSA-N 2 0 257.378 -0.195 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049711 815055502 /nfs/dbraw/zinc/05/55/02/815055502.db2.gz WXLYHQSEVWUSPP-NSHDSACASA-N 2 0 270.377 -0.878 20 0 CBADRP CCCC[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001151065839 815056570 /nfs/dbraw/zinc/05/65/70/815056570.db2.gz NLNFATAENZXDNJ-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151065841 815056698 /nfs/dbraw/zinc/05/66/98/815056698.db2.gz NMRIRAHDOUHSDI-GFCCVEGCSA-N 2 0 299.419 -0.649 20 0 CBADRP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001151066083 815057056 /nfs/dbraw/zinc/05/70/56/815057056.db2.gz PNFFALNMLQXLKD-GFCCVEGCSA-N 2 0 277.372 -0.057 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2ccon2)C1 ZINC001151066562 815057404 /nfs/dbraw/zinc/05/74/04/815057404.db2.gz WJPMNXOGKFJXRM-SNVBAGLBSA-N 2 0 295.343 -0.729 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001151065991 815057548 /nfs/dbraw/zinc/05/75/48/815057548.db2.gz PDCKWZBEDGVYHW-CHWSQXEVSA-N 2 0 296.415 -0.440 20 0 CBADRP CC(C)(C)CNC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151101535 815061705 /nfs/dbraw/zinc/06/17/05/815061705.db2.gz RNIYFZAMTGVVPO-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]CCCN1CCCC1=O ZINC001151107668 815062007 /nfs/dbraw/zinc/06/20/07/815062007.db2.gz ZENGWHIEOPWQCJ-UHFFFAOYSA-N 2 0 296.415 -0.200 20 0 CBADRP CCCC[C@H]([NH2+]CCNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001151100807 815062069 /nfs/dbraw/zinc/06/20/69/815062069.db2.gz IJNNUEJWQPFGCD-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C[NH+]1CCCC1)C(=O)NC1CC1 ZINC001151107011 815062125 /nfs/dbraw/zinc/06/21/25/815062125.db2.gz NFULVIXGKHJKKQ-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP Cn1cc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)cn1 ZINC001151114218 815062181 /nfs/dbraw/zinc/06/21/81/815062181.db2.gz FSNBWZPCAKNSKL-UHFFFAOYSA-N 2 0 265.361 -0.278 20 0 CBADRP Cn1ccc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)cc1=O ZINC001151114883 815062513 /nfs/dbraw/zinc/06/25/13/815062513.db2.gz RSVHZECRGAWQRB-UHFFFAOYSA-N 2 0 292.383 -0.313 20 0 CBADRP CCN(C(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001151100427 815062815 /nfs/dbraw/zinc/06/28/15/815062815.db2.gz CWHYSPOTECVFTQ-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@H](O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151156501 815065260 /nfs/dbraw/zinc/06/52/60/815065260.db2.gz DRPZRJHXNJVDJS-RYUDHWBXSA-N 2 0 273.377 -0.959 20 0 CBADRP C[C@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073426155 805370875 /nfs/dbraw/zinc/37/08/75/805370875.db2.gz RYPIFXNTSVSDRA-STQMWFEESA-N 2 0 281.400 -0.147 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCCO1 ZINC001073554842 805386575 /nfs/dbraw/zinc/38/65/75/805386575.db2.gz OXVJNXBBFJYNQB-OLZOCXBDSA-N 2 0 285.388 -0.720 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C)[NH+](C)C ZINC001074710615 805468252 /nfs/dbraw/zinc/46/82/52/805468252.db2.gz AACMEGOFMWLYJW-GARJFASQSA-N 2 0 270.377 -0.609 20 0 CBADRP C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001074792954 805472378 /nfs/dbraw/zinc/47/23/78/805472378.db2.gz NAQCQNALCRDZKD-WUHRBBMRSA-N 2 0 294.399 -0.452 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001075042191 805481529 /nfs/dbraw/zinc/48/15/29/805481529.db2.gz ATBGNOCDNRZXLX-XQQFMLRXSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C)C(N)=O ZINC001075108836 805483507 /nfs/dbraw/zinc/48/35/07/805483507.db2.gz QLFQHTRSHIMTFC-SRVKXCTJSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001075108823 805483581 /nfs/dbraw/zinc/48/35/81/805483581.db2.gz PNILIKKGSDLAOY-SRVKXCTJSA-N 2 0 255.362 -0.491 20 0 CBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001075798667 805533918 /nfs/dbraw/zinc/53/39/18/805533918.db2.gz JZAIBZOJJSOQIG-RRFJBIMHSA-N 2 0 293.411 -0.147 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC([NH3+])CC1 ZINC001160515616 815632577 /nfs/dbraw/zinc/63/25/77/815632577.db2.gz PBHYKSRLMWCUGT-LBPRGKRZSA-N 2 0 270.377 -0.430 20 0 CBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]CC(N)=O ZINC001152149649 815107700 /nfs/dbraw/zinc/10/77/00/815107700.db2.gz ZZWPMKMVFSUSEK-UWVGGRQHSA-N 2 0 256.350 -0.950 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]CCOCCO ZINC001152148072 815107874 /nfs/dbraw/zinc/10/78/74/815107874.db2.gz OIOTZWJYPMXYKJ-CHWSQXEVSA-N 2 0 287.404 -0.426 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]CC(=O)N(C)C ZINC001152148417 815107901 /nfs/dbraw/zinc/10/79/01/815107901.db2.gz PPWKIYBUNVAWGJ-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001152149561 815108161 /nfs/dbraw/zinc/10/81/61/815108161.db2.gz YOABEYZGMDOMOZ-TXEJJXNPSA-N 2 0 296.415 -0.156 20 0 CBADRP O=C(CCC[NH+]1CCCC1)NCC[NH2+][C@@H]1CCCNC1=O ZINC001152223550 815110909 /nfs/dbraw/zinc/11/09/09/815110909.db2.gz MUWMGWNQFAHDJN-CYBMUJFWSA-N 2 0 296.415 -0.153 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1)C(N)=O ZINC001152245132 815112400 /nfs/dbraw/zinc/11/24/00/815112400.db2.gz AYAWXVAOOWXZGK-NSHDSACASA-N 2 0 292.383 -0.059 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152236837 815112687 /nfs/dbraw/zinc/11/26/87/815112687.db2.gz GEEXWCXXSKGXDR-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP O=C(CC[NH+]1CCCCC1)NCC[NH2+]CC(=O)NC1CC1 ZINC001152339735 815116710 /nfs/dbraw/zinc/11/67/10/815116710.db2.gz ASLZYLDGVFNRPK-UHFFFAOYSA-N 2 0 296.415 -0.153 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001152349193 815116859 /nfs/dbraw/zinc/11/68/59/815116859.db2.gz WHZGUSJGCZLOCX-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CCn1cccn1 ZINC001152432578 815121076 /nfs/dbraw/zinc/12/10/76/815121076.db2.gz LNFIQLGNHNYYFC-UHFFFAOYSA-N 2 0 267.377 -0.071 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152439411 815121233 /nfs/dbraw/zinc/12/12/33/815121233.db2.gz KUPIIFCNSXWOQN-UHFFFAOYSA-N 2 0 258.366 -0.832 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1cncn1C ZINC001152439135 815121329 /nfs/dbraw/zinc/12/13/29/815121329.db2.gz ACMWXGGBCJQMGV-UHFFFAOYSA-N 2 0 267.377 -0.034 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152439194 815121361 /nfs/dbraw/zinc/12/13/61/815121361.db2.gz DIMMFYAEOATULU-UHFFFAOYSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)C[N@H+](C)C(C)C)C(N)=O ZINC001152431754 815121470 /nfs/dbraw/zinc/12/14/70/815121470.db2.gz DDXHYNNFOMQWMC-SNVBAGLBSA-N 2 0 258.366 -0.704 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001152440064 815121631 /nfs/dbraw/zinc/12/16/31/815121631.db2.gz WTDOYXTYRZEPCX-UHFFFAOYSA-N 2 0 286.420 -0.053 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001152445626 815122303 /nfs/dbraw/zinc/12/23/03/815122303.db2.gz KQXOSCZOLNQXGR-NSHDSACASA-N 2 0 284.404 -0.301 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001152446326 815123014 /nfs/dbraw/zinc/12/30/14/815123014.db2.gz XNOSXQAVAISASS-LBPRGKRZSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001152446325 815123345 /nfs/dbraw/zinc/12/33/45/815123345.db2.gz XNOSXQAVAISASS-GFCCVEGCSA-N 2 0 298.431 -0.053 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1c[nH]c2nccnc12 ZINC001153201608 815154030 /nfs/dbraw/zinc/15/40/30/815154030.db2.gz UFNQNCRVARSMJX-UHFFFAOYSA-N 2 0 275.316 -0.016 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153309309 815157181 /nfs/dbraw/zinc/15/71/81/815157181.db2.gz LRSJBEXCVLIFBA-UHFFFAOYSA-N 2 0 284.404 -0.296 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cnn2c1CCC2 ZINC001154056421 815197136 /nfs/dbraw/zinc/19/71/36/815197136.db2.gz HTXKQNTWMLGCAL-UHFFFAOYSA-N 2 0 264.333 -0.096 20 0 CBADRP Cc1cnc(N(CC[NH3+])S(C)(=O)=O)c(C[NH3+])c1 ZINC001154770601 815239540 /nfs/dbraw/zinc/23/95/40/815239540.db2.gz LXPPKBPCHSLLCY-UHFFFAOYSA-N 2 0 258.347 -0.427 20 0 CBADRP [NH3+]CC1CN([C@@H]2CCCN(c3ncc4c(n3)C[NH2+]C4)C2)C1 ZINC001155372819 815279902 /nfs/dbraw/zinc/27/99/02/815279902.db2.gz KWMAXRWMZIXYEB-CYBMUJFWSA-N 2 0 288.399 -0.061 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@@H](CCO)C1 ZINC001160610471 815645388 /nfs/dbraw/zinc/64/53/88/815645388.db2.gz DCMRVCHMCRZMAD-RYUDHWBXSA-N 2 0 267.373 -0.584 20 0 CBADRP c1nc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc(C2C[NH2+]C2)n1 ZINC001155488096 815287757 /nfs/dbraw/zinc/28/77/57/815287757.db2.gz YVLBFQRTWGNTBZ-NQBHXWOUSA-N 2 0 275.356 -0.190 20 0 CBADRP c1nc(N[C@@H]2COCCC23C[NH2+]C3)nc2c1C[NH2+]C2 ZINC001155468177 815286056 /nfs/dbraw/zinc/28/60/56/815286056.db2.gz JJXPJIYCEGAKGC-LLVKDONJSA-N 2 0 261.329 -0.130 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ncnc3c2CC[NH2+]CC3)N1 ZINC001155568651 815292448 /nfs/dbraw/zinc/29/24/48/815292448.db2.gz BDDFOBDBBAJCSW-BXUZGUMPSA-N 2 0 288.355 -0.845 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ncnc3c2CC[NH2+]C3)N1 ZINC001155570782 815294369 /nfs/dbraw/zinc/29/43/69/815294369.db2.gz OPLZMSJJFCRICJ-ZWNOBZJWSA-N 2 0 274.328 -0.888 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ncc3c(n2)CC[NH2+]C3)N1 ZINC001155570634 815294445 /nfs/dbraw/zinc/29/44/45/815294445.db2.gz NWIGYJXOODKBSE-ZWNOBZJWSA-N 2 0 274.328 -0.888 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ncc3c(n2)CC[NH2+]C3)N1 ZINC001155570633 815294456 /nfs/dbraw/zinc/29/44/56/815294456.db2.gz NWIGYJXOODKBSE-MFKMUULPSA-N 2 0 274.328 -0.888 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCN1CCCC1=O ZINC001155803215 815312870 /nfs/dbraw/zinc/31/28/70/815312870.db2.gz YWFLFQDJUQCIHK-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001155791031 815312908 /nfs/dbraw/zinc/31/29/08/815312908.db2.gz QZDHFDGTAJLRQU-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP Cn1cc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C)nn1 ZINC001155789602 815311147 /nfs/dbraw/zinc/31/11/47/815311147.db2.gz FOBCISXXFHWAQL-LBPRGKRZSA-N 2 0 280.376 -0.495 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001155790691 815311400 /nfs/dbraw/zinc/31/14/00/815311400.db2.gz MDQBPPMNWXDRNA-UWVGGRQHSA-N 2 0 256.350 -0.950 20 0 CBADRP Cn1nncc1C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155790709 815312261 /nfs/dbraw/zinc/31/22/61/815312261.db2.gz MOZMAXSKYZQEJN-LBPRGKRZSA-N 2 0 280.376 -0.495 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001155813576 815314468 /nfs/dbraw/zinc/31/44/68/815314468.db2.gz SKDURGPDSYNYRR-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155812496 815314648 /nfs/dbraw/zinc/31/46/48/815314648.db2.gz NTXUMQOQWRMVSK-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001155813665 815315531 /nfs/dbraw/zinc/31/55/31/815315531.db2.gz SXPQOGKVSUUCLN-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cnc2nccn2c1 ZINC001155921058 815321094 /nfs/dbraw/zinc/32/10/94/815321094.db2.gz RSPLZKUOGMMTNE-UHFFFAOYSA-N 2 0 275.316 -0.196 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cnn2c1OCC2 ZINC001156194907 815344638 /nfs/dbraw/zinc/34/46/38/815344638.db2.gz TUIAXSWFLURSKF-UHFFFAOYSA-N 2 0 294.359 -0.047 20 0 CBADRP C[NH+]1CCN(c2ccc(N3CC[C@@H]([NH3+])C3)nn2)CC1 ZINC001156228619 815346802 /nfs/dbraw/zinc/34/68/02/815346802.db2.gz IJIQNNQOCGHLCV-LLVKDONJSA-N 2 0 262.361 -0.234 20 0 CBADRP Cc1cnc(N(C)S(=O)(=O)CC[NH3+])c(C[NH3+])c1 ZINC001156239236 815349052 /nfs/dbraw/zinc/34/90/52/815349052.db2.gz SZLKGJGENDPHJZ-UHFFFAOYSA-N 2 0 258.347 -0.427 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001086177522 810247611 /nfs/dbraw/zinc/24/76/11/810247611.db2.gz XVJGBMVQVLQFPY-ZDEQEGDKSA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001086253995 810252233 /nfs/dbraw/zinc/25/22/33/810252233.db2.gz DTJIGWXTEKIVHE-SDDRHHMPSA-N 2 0 294.399 -0.560 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001086272213 810253695 /nfs/dbraw/zinc/25/36/95/810253695.db2.gz YCDKMSRSIHUXDH-RVMXOQNASA-N 2 0 294.399 -0.689 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001086324553 810261564 /nfs/dbraw/zinc/26/15/64/810261564.db2.gz CSFVMNXUUGOETQ-DDHJBXDOSA-N 2 0 282.388 -0.561 20 0 CBADRP O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001086367762 810265852 /nfs/dbraw/zinc/26/58/52/810265852.db2.gz CZLNCSPBDKAOHE-UBHSHLNASA-N 2 0 281.400 -0.195 20 0 CBADRP O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001086372952 810266003 /nfs/dbraw/zinc/26/60/03/810266003.db2.gz FGWGCQOYSMELLK-AAVRWANBSA-N 2 0 297.399 -0.674 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086402317 810266869 /nfs/dbraw/zinc/26/68/69/810266869.db2.gz PQTGOENBHYRSRP-SRVKXCTJSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001086552239 810278706 /nfs/dbraw/zinc/27/87/06/810278706.db2.gz ZLMNRZXPYOJWNS-WISYIIOYSA-N 2 0 282.388 -0.704 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001086875510 810286401 /nfs/dbraw/zinc/28/64/01/810286401.db2.gz VSYVGTDIBSOHDA-QJPTWQEYSA-N 2 0 282.388 -0.702 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2C1 ZINC001087908663 810314434 /nfs/dbraw/zinc/31/44/34/810314434.db2.gz JOQWFVSMYFIJGQ-FRRDWIJNSA-N 2 0 294.399 -0.654 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001088279316 810325352 /nfs/dbraw/zinc/32/53/52/810325352.db2.gz PWLKTJBHFBMGSU-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)(C(=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O)[NH+]1CCCC1 ZINC001090490667 810509018 /nfs/dbraw/zinc/50/90/18/810509018.db2.gz SUCYSZXOGQHFNB-STQMWFEESA-N 2 0 299.415 -0.596 20 0 CBADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCO)C[C@@H]2O)CC1 ZINC001090673776 810546384 /nfs/dbraw/zinc/54/63/84/810546384.db2.gz MLKRZKMRAOLSIU-KGLIPLIRSA-N 2 0 299.415 -0.738 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730391 810559947 /nfs/dbraw/zinc/55/99/47/810559947.db2.gz KZNOTAKISODJGK-QWHCGFSZSA-N 2 0 297.399 -0.720 20 0 CBADRP CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090812229 810569167 /nfs/dbraw/zinc/56/91/67/810569167.db2.gz FXUSMVUSNYFALT-VXGBXAGGSA-N 2 0 255.362 -0.347 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090818962 810571858 /nfs/dbraw/zinc/57/18/58/810571858.db2.gz YMVNWPBMBISJIP-OLZOCXBDSA-N 2 0 285.388 -0.720 20 0 CBADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092503680 810632705 /nfs/dbraw/zinc/63/27/05/810632705.db2.gz CAVQGDQHAWRSPF-UPJWGTAASA-N 2 0 296.415 -0.489 20 0 CBADRP N=c1cc(C[NH3+])ccn1-c1ncnc2c1CC[NH2+]CC2 ZINC001156849750 815384770 /nfs/dbraw/zinc/38/47/70/815384770.db2.gz AVKOZBWNXYTWQS-UHFFFAOYSA-N 2 0 270.340 -0.106 20 0 CBADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093193978 810646963 /nfs/dbraw/zinc/64/69/63/810646963.db2.gz SCMVNIUMTWSWPJ-FRRDWIJNSA-N 2 0 296.415 -0.632 20 0 CBADRP C[NH2+]CCNc1ccc(N2CC[NH+](C)CC2)nn1 ZINC001156891084 815388441 /nfs/dbraw/zinc/38/84/41/815388441.db2.gz NODLPWFDDYKETN-UHFFFAOYSA-N 2 0 250.350 -0.140 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001095056036 810738366 /nfs/dbraw/zinc/73/83/66/810738366.db2.gz CYELSLVXWSUZQU-AVGNSLFASA-N 2 0 294.399 -0.463 20 0 CBADRP [NH3+]CCc1nnn(-c2cccc(N3CCC([NH3+])CC3)n2)n1 ZINC001156988765 815395586 /nfs/dbraw/zinc/39/55/86/815395586.db2.gz KTJMGYNGXHDJCH-UHFFFAOYSA-N 2 0 288.359 -0.514 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)C1 ZINC001096539975 810779943 /nfs/dbraw/zinc/77/99/43/810779943.db2.gz FCBFHHBBDCBSIB-RNJOBUHISA-N 2 0 267.373 -0.348 20 0 CBADRP NC(=O)c1cncc(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001157097042 815404100 /nfs/dbraw/zinc/40/41/00/815404100.db2.gz RIFBYYYEFNFGIS-UHFFFAOYSA-N 2 0 251.294 -0.749 20 0 CBADRP CN1CC(=O)Nc2cnc(NC(=[NH2+])NCCCC[NH3+])nc21 ZINC001157096391 815404151 /nfs/dbraw/zinc/40/41/51/815404151.db2.gz IUKCHUAPJZOWGW-UHFFFAOYSA-N 2 0 292.347 -0.460 20 0 CBADRP NC(=O)c1ccnc(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001157093435 815404390 /nfs/dbraw/zinc/40/43/90/815404390.db2.gz AOMMKALYHWANKW-UHFFFAOYSA-N 2 0 251.294 -0.749 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879468 810959042 /nfs/dbraw/zinc/95/90/42/810959042.db2.gz KMBQAGJRGYIRLB-KBPBESRZSA-N 2 0 299.415 -0.332 20 0 CBADRP C[N@H+](CC(=O)N[C@H]1CC[NH+](CCO)C[C@@H]1O)C1CCC1 ZINC001099879319 810959679 /nfs/dbraw/zinc/95/96/79/810959679.db2.gz IRKWAHARZVCYKA-STQMWFEESA-N 2 0 285.388 -0.986 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099872802 810960140 /nfs/dbraw/zinc/96/01/40/810960140.db2.gz ZPLOPKWIZFCGQV-QWHCGFSZSA-N 2 0 299.415 -0.332 20 0 CBADRP C[N@H+](CC(=O)N[C@H]1CC[NH+](CCCO)C[C@H]1O)C1CCC1 ZINC001099879962 810960296 /nfs/dbraw/zinc/96/02/96/810960296.db2.gz SLVWHZKEBZJZQW-UONOGXRCSA-N 2 0 299.415 -0.596 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099872801 810960478 /nfs/dbraw/zinc/96/04/78/810960478.db2.gz ZPLOPKWIZFCGQV-OLZOCXBDSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971098 810979634 /nfs/dbraw/zinc/97/96/34/810979634.db2.gz AMCFVGODDGYRRH-VXGBXAGGSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001099973616 810982276 /nfs/dbraw/zinc/98/22/76/810982276.db2.gz GGXNJOUVKHVCJF-STQMWFEESA-N 2 0 287.404 -0.738 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971862 810982689 /nfs/dbraw/zinc/98/26/89/810982689.db2.gz NLHSUZXFDCNPNT-STQMWFEESA-N 2 0 299.415 -0.474 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100042120 811003971 /nfs/dbraw/zinc/00/39/71/811003971.db2.gz UBATWEDIAYTSGO-STQMWFEESA-N 2 0 287.404 -0.738 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074643 811014546 /nfs/dbraw/zinc/01/45/46/811014546.db2.gz QOQRRYKSZFLCCF-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100073469 811014878 /nfs/dbraw/zinc/01/48/78/811014878.db2.gz CQQBGEBYOCXBOG-CHWSQXEVSA-N 2 0 287.404 -0.476 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074646 811015750 /nfs/dbraw/zinc/01/57/50/811015750.db2.gz QOQRRYKSZFLCCF-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCCO)C[C@@H]1O ZINC001100131258 811025281 /nfs/dbraw/zinc/02/52/81/811025281.db2.gz AIFFOUGBJLFVPU-STQMWFEESA-N 2 0 287.404 -0.740 20 0 CBADRP CC[C@H](C(=O)NCC1CC([NH2+]CCO)C1)[NH+](C)C ZINC001100443624 811058376 /nfs/dbraw/zinc/05/83/76/811058376.db2.gz RSDVBOHDEDXFDS-HTAVTVPLSA-N 2 0 257.378 -0.197 20 0 CBADRP COC[C@@H](O)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001100564663 811062816 /nfs/dbraw/zinc/06/28/16/811062816.db2.gz QWKXCPHZDIGZMC-CLRIEMFWSA-N 2 0 299.415 -0.428 20 0 CBADRP CN(C)C(=O)C[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100619653 811066144 /nfs/dbraw/zinc/06/61/44/811066144.db2.gz AJMAYUUSFICDBH-UHFFFAOYSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+](C)CCCC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100620104 811066624 /nfs/dbraw/zinc/06/66/24/811066624.db2.gz WBGMLQUMBGSSRD-UHFFFAOYSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]CCO)C1 ZINC001100677057 811072057 /nfs/dbraw/zinc/07/20/57/811072057.db2.gz XNEOMPLNWTUWAO-PNESKVBLSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH+]1CCC(CC(=O)NCC2CC([NH2+]CC(N)=O)C2)CC1 ZINC001100731862 811076072 /nfs/dbraw/zinc/07/60/72/811076072.db2.gz JLOAWDCBJPOGTH-UHFFFAOYSA-N 2 0 296.415 -0.312 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+][C@H](C)C(=O)NC)C1 ZINC001100831427 811081449 /nfs/dbraw/zinc/08/14/49/811081449.db2.gz VMNAHJMOTBQUQI-PNESKVBLSA-N 2 0 298.431 -0.053 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2CC([NH2+]CC(N)=O)C2)C1 ZINC001100873120 811083865 /nfs/dbraw/zinc/08/38/65/811083865.db2.gz VFHIBFRSNJFGHL-UNXYVOJBSA-N 2 0 282.388 -0.702 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100901516 811085053 /nfs/dbraw/zinc/08/50/53/811085053.db2.gz ANOAVNSEKGWETH-UHFFFAOYSA-N 2 0 270.377 -0.702 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001100986644 811088631 /nfs/dbraw/zinc/08/86/31/811088631.db2.gz XZPYVNLXYUZOQZ-WXRRBKDZSA-N 2 0 294.399 -0.545 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1 ZINC001101036160 811091492 /nfs/dbraw/zinc/09/14/92/811091492.db2.gz JESSDQRTCMDHMI-UHFFFAOYSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351461 811104112 /nfs/dbraw/zinc/10/41/12/811104112.db2.gz GMHBSODSJDUAEP-ZOWXZIJZSA-N 2 0 296.415 -0.408 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001157334917 815424527 /nfs/dbraw/zinc/42/45/27/815424527.db2.gz ATRCFPWVNGYBIM-DCAQKATOSA-N 2 0 288.367 -0.706 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCC[N@H+](C)C1 ZINC001157335329 815424557 /nfs/dbraw/zinc/42/45/57/815424557.db2.gz GHJBXRSXIHMEFJ-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC001157323381 815423048 /nfs/dbraw/zinc/42/30/48/815423048.db2.gz OZMKNYWNIOHBAD-SRVKXCTJSA-N 2 0 284.404 -0.266 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)[NH+]1CCCC1 ZINC001157323560 815423083 /nfs/dbraw/zinc/42/30/83/815423083.db2.gz KEXZZPUTPXWSEV-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@]1(C)CC[NH2+]C1 ZINC001157323431 815423144 /nfs/dbraw/zinc/42/31/44/815423144.db2.gz PSSKEKOZBJSUED-FZMZJTMJSA-N 2 0 284.404 -0.264 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[N@H+](C)C(C)C ZINC001157323489 815423182 /nfs/dbraw/zinc/42/31/82/815423182.db2.gz SBUMWLVTQIRVEA-NSHDSACASA-N 2 0 272.393 -0.314 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001157323186 815423638 /nfs/dbraw/zinc/42/36/38/815423638.db2.gz CZWVRIMEBYBZDK-RVMXOQNASA-N 2 0 296.415 -0.408 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC001157324339 815424355 /nfs/dbraw/zinc/42/43/55/815424355.db2.gz WHXCKVGYUYNFPJ-UHIISALHSA-N 2 0 282.388 -0.654 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001103755402 811186270 /nfs/dbraw/zinc/18/62/70/811186270.db2.gz GBUINBPWUZGVNS-CHWSQXEVSA-N 2 0 298.431 -0.114 20 0 CBADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001104348291 811201523 /nfs/dbraw/zinc/20/15/23/811201523.db2.gz CJQNYMUQUFMMGD-JHJVBQTASA-N 2 0 298.431 -0.114 20 0 CBADRP C[NH+]1CC(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)C1 ZINC001157369870 815429274 /nfs/dbraw/zinc/42/92/74/815429274.db2.gz YREWYAJRGYGPNR-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001105064195 811213930 /nfs/dbraw/zinc/21/39/30/811213930.db2.gz BRAXQPIEYGYUQR-CHWSQXEVSA-N 2 0 298.431 -0.114 20 0 CBADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1)[NH+](C)C ZINC001106309061 811303294 /nfs/dbraw/zinc/30/32/94/811303294.db2.gz OAPIEGHXVRJTAW-JHJVBQTASA-N 2 0 298.431 -0.243 20 0 CBADRP C[NH+]1CCN(c2nccc(-n3cc(C[NH3+])cn3)n2)CC1 ZINC001157478827 815437451 /nfs/dbraw/zinc/43/74/51/815437451.db2.gz WZAIQIHSMBBSCJ-UHFFFAOYSA-N 2 0 273.344 -0.127 20 0 CBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001106623046 811313122 /nfs/dbraw/zinc/31/31/22/811313122.db2.gz FBMWWSOVYCQJDM-GRYCIOLGSA-N 2 0 284.404 -0.504 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(N)=O)[C@H](C)C1 ZINC001106839376 811318006 /nfs/dbraw/zinc/31/80/06/811318006.db2.gz FAQOFQLNTZZHOE-FRRDWIJNSA-N 2 0 298.431 -0.114 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)C[C@H]1F ZINC001157536503 815442116 /nfs/dbraw/zinc/44/21/16/815442116.db2.gz NYXBMFUMDRAGLH-XQHKEYJVSA-N 2 0 284.379 -0.432 20 0 CBADRP [NH3+][C@H]1CN(C(=O)C2=NO[C@]3(CC[NH2+]C3)C2)C[C@H]1F ZINC001157535954 815442472 /nfs/dbraw/zinc/44/24/72/815442472.db2.gz FUWJVVBVNYGXKQ-VHSKPIJISA-N 2 0 256.281 -0.998 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CC(N2CC(F)C2)C1 ZINC001157529174 815442768 /nfs/dbraw/zinc/44/27/68/815442768.db2.gz YLUIMFPOGZNGKB-ZDUSSCGKSA-N 2 0 286.395 -0.090 20 0 CBADRP COc1ccc([C@@H]([NH3+])CC(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)cn1 ZINC001157530464 815442849 /nfs/dbraw/zinc/44/28/49/815442849.db2.gz GMMBNHDIDMNVBM-VWYCJHECSA-N 2 0 282.319 -0.012 20 0 CBADRP [NH3+][C@H]1CN(C(=O)c2ncn3c2C[NH2+]CC3)C[C@H]1F ZINC001157559392 815444490 /nfs/dbraw/zinc/44/44/90/815444490.db2.gz FEKZDXFGJBWEHU-SFYZADRCSA-N 2 0 253.281 -0.893 20 0 CBADRP [NH3+][C@H]1CN(C(=O)c2cccnc2N2CC[NH2+]CC2)C[C@H]1F ZINC001157548662 815444664 /nfs/dbraw/zinc/44/46/64/815444664.db2.gz SUQOEWUYXMGMHY-NEPJUHHUSA-N 2 0 293.346 -0.388 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])c1ncnc2c1CC[NH2+]C2 ZINC001157548626 815444894 /nfs/dbraw/zinc/44/48/94/815444894.db2.gz JHWDYXLMAVSWLF-UHFFFAOYSA-N 2 0 293.371 -0.159 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@@H]2CCCCN2[C@@H]2CC[NH2+]C2)C[C@H]1F ZINC001157545698 815444991 /nfs/dbraw/zinc/44/49/91/815444991.db2.gz YZHUUCSEPJYZEQ-NDBYEHHHSA-N 2 0 284.379 -0.290 20 0 CBADRP [NH3+][C@H]1CN(C(=O)c2n[nH]c3c2CC[NH2+]C3)C[C@H]1F ZINC001157559406 815445008 /nfs/dbraw/zinc/44/50/08/815445008.db2.gz FXHVCZRNYLZZJH-SFYZADRCSA-N 2 0 253.281 -0.823 20 0 CBADRP [NH3+][C@H]1CN(C(=O)c2nc3c(s2)C[NH2+]CC3)C[C@H]1F ZINC001157560701 815445861 /nfs/dbraw/zinc/44/58/61/815445861.db2.gz YLWXROCLWWIJQH-RQJHMYQMSA-N 2 0 270.333 -0.090 20 0 CBADRP [NH3+][C@H]1CN(C(=O)c2noc3c2C[NH2+]CC3)C[C@H]1F ZINC001157560554 815446165 /nfs/dbraw/zinc/44/61/65/815446165.db2.gz VHAOIPDFHLTMSG-SFYZADRCSA-N 2 0 254.265 -0.559 20 0 CBADRP CCNC(=O)CN(C)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001157679724 815452409 /nfs/dbraw/zinc/45/24/09/815452409.db2.gz WYRRLQQXWAYQLU-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109978987 811506462 /nfs/dbraw/zinc/50/64/62/811506462.db2.gz OFDRQHNCMSIRQO-CRWXNKLISA-N 2 0 299.415 -0.333 20 0 CBADRP CCNC(=O)CN(C)C(=O)[C@H](CCCC[NH3+])[NH2+]C ZINC001157679344 815452762 /nfs/dbraw/zinc/45/27/62/815452762.db2.gz SZJGDFGOJBIXNY-JTQLQIEISA-N 2 0 258.366 -0.702 20 0 CBADRP CCNC(=O)CN(C)C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001157679688 815453005 /nfs/dbraw/zinc/45/30/05/815453005.db2.gz VUKRXDCCFMUKJH-NSHDSACASA-N 2 0 272.393 -0.360 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCCCO1 ZINC001157681124 815453111 /nfs/dbraw/zinc/45/31/11/815453111.db2.gz DZDJUAMFXYJZMO-LLVKDONJSA-N 2 0 256.350 -0.709 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCCO1 ZINC001157702863 815454037 /nfs/dbraw/zinc/45/40/37/815454037.db2.gz FDHLKYUYHJSCMI-GHMZBOCLSA-N 2 0 253.346 -0.567 20 0 CBADRP C[C@H]1CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCCO1 ZINC001157702892 815454372 /nfs/dbraw/zinc/45/43/72/815454372.db2.gz FUHFRIMGPSYCCN-JQWIXIFHSA-N 2 0 255.362 -0.049 20 0 CBADRP COC(=O)[C@@]1(F)CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001157714935 815455119 /nfs/dbraw/zinc/45/51/19/815455119.db2.gz APTVOKAGBIQAOV-LERXQTSPSA-N 2 0 299.346 -0.701 20 0 CBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H]([NH3+])Cc1cccc(O)c1 ZINC001157716107 815455163 /nfs/dbraw/zinc/45/51/63/815455163.db2.gz KTXUXCQYLYJNRS-ZIAGYGMSSA-N 2 0 293.367 -0.291 20 0 CBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)CC1CC[NH2+]CC1 ZINC001157715217 815455841 /nfs/dbraw/zinc/45/58/41/815455841.db2.gz CLIQUCIJXPFAQM-GFCCVEGCSA-N 2 0 255.362 -0.177 20 0 CBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)c1ccc([C@@H](N)C[NH3+])cc1 ZINC001157720228 815456478 /nfs/dbraw/zinc/45/64/78/815456478.db2.gz DBAWKQPSJUEPRR-KGLIPLIRSA-N 2 0 292.383 -0.295 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)C[C@@H]1C[NH2+]CCO1 ZINC001157717333 815456747 /nfs/dbraw/zinc/45/67/47/815456747.db2.gz ZMBYRKGQNRDHSR-SRVKXCTJSA-N 2 0 255.362 -0.179 20 0 CBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)CCCCNC(N)=[NH2+] ZINC001157721009 815457179 /nfs/dbraw/zinc/45/71/79/815457179.db2.gz RKMXAOUUDVFOGM-SNVBAGLBSA-N 2 0 271.365 -0.913 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112523141 811565817 /nfs/dbraw/zinc/56/58/17/811565817.db2.gz FDWPKCLZQIHLAS-WFASDCNBSA-N 2 0 296.415 -0.358 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC(F)(F)CC[C@H]1CO ZINC001157729674 815458005 /nfs/dbraw/zinc/45/80/05/815458005.db2.gz CWXFBGYNHSUNGW-IUCAKERBSA-N 2 0 297.371 -0.376 20 0 CBADRP [NH3+][C@H](C(=O)N1C[C@@H](F)C[C@H](CO)C1)C1CC[NH2+]CC1 ZINC001157730938 815459058 /nfs/dbraw/zinc/45/90/58/815459058.db2.gz PWEIEUJTLCOBPS-DLOVCJGASA-N 2 0 273.352 -0.508 20 0 CBADRP [NH3+]CCNC(=O)/C=C/C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157741452 815460324 /nfs/dbraw/zinc/46/03/24/815460324.db2.gz XFFRFFHBXXCUHS-IBUXWKBASA-N 2 0 286.351 -0.703 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)CC1 ZINC001157741011 815460437 /nfs/dbraw/zinc/46/04/37/815460437.db2.gz RWXGBOTZPNTSSJ-RFHZTLPTSA-N 2 0 284.379 -0.112 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157740632 815460490 /nfs/dbraw/zinc/46/04/90/815460490.db2.gz PLHFQBLRDQNFRF-GXFFZTMASA-N 2 0 289.351 -0.054 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC001157740042 815460585 /nfs/dbraw/zinc/46/05/85/815460585.db2.gz LIETXHFVLOJZPX-JQWIXIFHSA-N 2 0 259.325 -0.346 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C[C@@H]1[NH3+] ZINC001157799978 815468334 /nfs/dbraw/zinc/46/83/34/815468334.db2.gz WKAUSSXVORNLJD-QNWJLWSRSA-N 2 0 267.373 -0.051 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2cncn2C)C[C@@H]1[NH3+] ZINC001157794305 815467341 /nfs/dbraw/zinc/46/73/41/815467341.db2.gz SMRGEDRDHNMTQJ-USWWRNFRSA-N 3 0 265.361 -0.514 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157754510 815462710 /nfs/dbraw/zinc/46/27/10/815462710.db2.gz KLOWTUCRLJKHIR-NHCYSSNCSA-N 2 0 258.341 -0.787 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157756172 815463058 /nfs/dbraw/zinc/46/30/58/815463058.db2.gz WGGORYYGPVEDQX-AAEUAGOBSA-N 2 0 272.368 -0.431 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001157753861 815463155 /nfs/dbraw/zinc/46/31/55/815463155.db2.gz GVLNCOQGCJHBQH-DGCLKSJQSA-N 2 0 273.352 -0.268 20 0 CBADRP C[C@@H]1CCN(C(=O)C[C@@H]([NH3+])CCC(N)=O)C[C@@H]1[NH3+] ZINC001157799589 815468499 /nfs/dbraw/zinc/46/84/99/815468499.db2.gz OAXAYRLFHAQRQN-UTLUCORTSA-N 2 0 256.350 -0.835 20 0 CBADRP C[NH2+][C@H]1CCCN(CC(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)C1 ZINC001157804901 815468560 /nfs/dbraw/zinc/46/85/60/815468560.db2.gz ZOORYMJBVSKHPN-AGIUHOORSA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001157841107 815470519 /nfs/dbraw/zinc/47/05/19/815470519.db2.gz DZPSGWFAWCHUMX-WZRBSPASSA-N 2 0 279.388 -0.124 20 0 CBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001157844302 815470557 /nfs/dbraw/zinc/47/05/57/815470557.db2.gz VWXOMMRBBJAHRM-JFGNBEQYSA-N 2 0 265.361 -0.135 20 0 CBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001157840612 815470643 /nfs/dbraw/zinc/47/06/43/815470643.db2.gz BZRZSOVEKPHAFJ-WOPDTQHZSA-N 2 0 282.388 -0.478 20 0 CBADRP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001157843443 815470741 /nfs/dbraw/zinc/47/07/41/815470741.db2.gz RAGQFCVCIZCDDI-HBNTYKKESA-N 2 0 285.392 -0.652 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114406880 811746957 /nfs/dbraw/zinc/74/69/57/811746957.db2.gz MNVDRDMBPZPRAF-WUHRBBMRSA-N 2 0 281.400 -0.102 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1[C@H]2CN(CC(N)=O)C[C@H]21 ZINC001114426591 811749379 /nfs/dbraw/zinc/74/93/79/811749379.db2.gz PHEBVDSHLNZKRG-UUIJZJDISA-N 2 0 294.399 -0.608 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H](C)C[C@H]1CO ZINC001157853814 815472251 /nfs/dbraw/zinc/47/22/51/815472251.db2.gz PHDIFBGTSSLYOX-SRVKXCTJSA-N 2 0 257.378 -0.067 20 0 CBADRP C[C@@H]1CC[C@H](CO)CN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157855302 815472941 /nfs/dbraw/zinc/47/29/41/815472941.db2.gz MDDHCFJHPWBFHT-QVHKTLOISA-N 2 0 281.400 -0.195 20 0 CBADRP C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157855654 815473112 /nfs/dbraw/zinc/47/31/12/815473112.db2.gz OYQLVKFIGHICLO-YRGRVCCFSA-N 2 0 298.431 -0.644 20 0 CBADRP CC1CC(N(C)C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001157875082 815475896 /nfs/dbraw/zinc/47/58/96/815475896.db2.gz UFROKOXYIZWTHK-GDKBPFBDSA-N 2 0 268.405 -0.006 20 0 CBADRP CC1CC(N(C)C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001157875083 815476033 /nfs/dbraw/zinc/47/60/33/815476033.db2.gz UFROKOXYIZWTHK-KGPNIALWSA-N 2 0 268.405 -0.006 20 0 CBADRP CC[C@@]([NH3+])(CO)Nc1cncc(N2CC[NH2+]CC2)n1 ZINC001159744342 815591381 /nfs/dbraw/zinc/59/13/81/815591381.db2.gz QAKNUCMBPXWJOO-LBPRGKRZSA-N 2 0 266.349 -0.645 20 0 CBADRP C[C@@]1(O)CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C[C@@H]1F ZINC001157899585 815477697 /nfs/dbraw/zinc/47/76/97/815477697.db2.gz AEADMIFEHAUWRR-XPORZQOISA-N 2 0 271.336 -0.742 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)N1C[C@H](CO)CC(F)(F)C1 ZINC001157899602 815478237 /nfs/dbraw/zinc/47/82/37/815478237.db2.gz AJUBCBVSSQCDAV-SNVBAGLBSA-N 2 0 291.342 -0.196 20 0 CBADRP C[C@H]1CC[C@@H](CO)N1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001157914081 815481775 /nfs/dbraw/zinc/48/17/75/815481775.db2.gz GNQMBKPYGVJRMU-ZMLRMANQSA-N 2 0 255.362 -0.315 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCc2[nH]cnc2C1 ZINC001157922831 815483229 /nfs/dbraw/zinc/48/32/29/815483229.db2.gz ZXOYOAPGUICUPF-VIFPVBQESA-N 2 0 261.329 -0.897 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCc2[nH]cnc2C1 ZINC001157922830 815483368 /nfs/dbraw/zinc/48/33/68/815483368.db2.gz ZXOYOAPGUICUPF-SECBINFHSA-N 2 0 261.329 -0.897 20 0 CBADRP C[C@]1(CO)CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC[C@H]1O ZINC001157947127 815491056 /nfs/dbraw/zinc/49/10/56/815491056.db2.gz QRJJHENGMLVWLL-DMDPSCGWSA-N 2 0 273.377 -0.966 20 0 CBADRP N[C@]1(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)CC[NH2+]C1 ZINC001157971266 815493417 /nfs/dbraw/zinc/49/34/17/815493417.db2.gz WTKUAZZCZYSRMZ-UKRRQHHQSA-N 2 0 274.368 -0.150 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157970945 815493428 /nfs/dbraw/zinc/49/34/28/815493428.db2.gz UHBSQPBDTQULCO-MELADBBJSA-N 2 0 274.368 -0.294 20 0 CBADRP [NH3+]CCNCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157968505 815493608 /nfs/dbraw/zinc/49/36/08/815493608.db2.gz IDXHOCNDGIOIMP-CYBMUJFWSA-N 2 0 262.357 -0.292 20 0 CBADRP N[C@]1(C(=O)N2CCOC3(CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC001158077237 815501551 /nfs/dbraw/zinc/50/15/51/815501551.db2.gz RVPAJVISODZYFM-CQSZACIVSA-N 2 0 282.388 -0.952 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158029236 815499644 /nfs/dbraw/zinc/49/96/44/815499644.db2.gz GTSTXENVLAHXQO-QWHCGFSZSA-N 2 0 296.415 -0.297 20 0 CBADRP [NH3+][C@H]1CC[C@@H]1C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070192 815500157 /nfs/dbraw/zinc/50/01/57/815500157.db2.gz FKFKFQRYHMPGLY-QWRGUYRKSA-N 2 0 253.346 -0.295 20 0 CBADRP O=C(C1CC2(C[NH2+]C2)C1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070134 815500527 /nfs/dbraw/zinc/50/05/27/815500527.db2.gz BGJDJWCWDUFRHV-UHFFFAOYSA-N 2 0 279.384 -0.033 20 0 CBADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@@]13CC[C@@H](N1)[C@H]([NH3+])C3)CC2 ZINC001158082278 815502805 /nfs/dbraw/zinc/50/28/05/815502805.db2.gz NNXHZTQRMYGYKR-JMSVASOKSA-N 2 0 278.400 -0.062 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158081671 815503249 /nfs/dbraw/zinc/50/32/49/815503249.db2.gz GGZDOOBTZHZWPA-QWRGUYRKSA-N 2 0 252.362 -0.737 20 0 CBADRP C[C@H]1CC[NH2+][C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC001158166568 815508095 /nfs/dbraw/zinc/50/80/95/815508095.db2.gz AEEPSAWSQMVHGR-QNWHQSFQSA-N 2 0 267.373 -0.179 20 0 CBADRP [NH3+][C@H](C(=O)N1CCC2(COC2)C1)C1CC[NH2+]CC1 ZINC001158167978 815508135 /nfs/dbraw/zinc/50/81/35/815508135.db2.gz JJZPCYGSHFRTPA-NSHDSACASA-N 2 0 253.346 -0.438 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158082785 815503450 /nfs/dbraw/zinc/50/34/50/815503450.db2.gz RHTJDEDYZNHVSJ-NSHDSACASA-N 3 0 286.445 -0.265 20 0 CBADRP [NH3+]C1CC2(C1)CCN(C(=O)CN1CC[NH2+]CC1)CC2 ZINC001158082684 815503468 /nfs/dbraw/zinc/50/34/68/815503468.db2.gz QCIKUGRUDLBAKX-UHFFFAOYSA-N 2 0 266.389 -0.379 20 0 CBADRP CCCCC[C@H]([NH2+]C)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101562 815504022 /nfs/dbraw/zinc/50/40/22/815504022.db2.gz JTESTZRMRBFGHZ-WFASDCNBSA-N 2 0 296.415 -0.155 20 0 CBADRP [NH3+][C@H](C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)C1CCCCC1 ZINC001158093532 815504196 /nfs/dbraw/zinc/50/41/96/815504196.db2.gz WUFAONGGIPRDEI-ZFWWWQNUSA-N 2 0 294.399 -0.416 20 0 CBADRP Cc1nc(CC[NH3+])nn1-c1ncnc2c1CC[NH2+]CC2 ZINC001158126488 815505986 /nfs/dbraw/zinc/50/59/86/815505986.db2.gz XAQITIBRGGTUKH-UHFFFAOYSA-N 2 0 273.344 -0.445 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750901 812156366 /nfs/dbraw/zinc/15/63/66/812156366.db2.gz QNYSXTWDBYSXDY-KZVDOYCCSA-N 2 0 296.415 -0.362 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778024 812159420 /nfs/dbraw/zinc/15/94/20/812159420.db2.gz DASQHGQDUZUKBD-SRRSOLGSSA-N 2 0 282.388 -0.752 20 0 CBADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114779040 812160675 /nfs/dbraw/zinc/16/06/75/812160675.db2.gz WGMAMGGMFBENRD-CIQGVGRVSA-N 2 0 296.415 -0.539 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21)[NH+](C)C ZINC001114849493 812164695 /nfs/dbraw/zinc/16/46/95/812164695.db2.gz QVSXXCZBOMFOMI-KZVDOYCCSA-N 2 0 296.415 -0.539 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161521 815507436 /nfs/dbraw/zinc/50/74/36/815507436.db2.gz PMHNSBGSJDCVEQ-WFASDCNBSA-N 3 0 278.400 -0.460 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001114996657 812172278 /nfs/dbraw/zinc/17/22/78/812172278.db2.gz BZXUNKFQQDCXGQ-KZVDOYCCSA-N 2 0 296.415 -0.362 20 0 CBADRP COC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126406 812180195 /nfs/dbraw/zinc/18/01/95/812180195.db2.gz NGIJMCFHYZIRJQ-CXTNEJHOSA-N 2 0 299.415 -0.354 20 0 CBADRP O=C([C@@H]1CCC2(C[NH2+]C2)O1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199228 815512516 /nfs/dbraw/zinc/51/25/16/815512516.db2.gz QIKFXCXBMLCKIR-AXFHLTTASA-N 2 0 251.330 -0.530 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+]([C@H](C)C(=O)NC)C[C@H]21 ZINC001115161875 812182700 /nfs/dbraw/zinc/18/27/00/812182700.db2.gz OLCGCEDIJPJTRI-NMKXLXIOSA-N 2 0 296.415 -0.491 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H](CC)C(N)=O)C[C@H]21 ZINC001115161329 812183660 /nfs/dbraw/zinc/18/36/60/812183660.db2.gz CSYDOEODSPQMRQ-KZVDOYCCSA-N 2 0 296.415 -0.362 20 0 CBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241848 812187242 /nfs/dbraw/zinc/18/72/42/812187242.db2.gz PPUBVMSTCFDQOI-RMRHIDDWSA-N 2 0 297.399 -0.864 20 0 CBADRP [NH3+][C@@H](CO)Cc1cncn1-c1ncnc2c1CC[NH2+]C2 ZINC001158203955 815512864 /nfs/dbraw/zinc/51/28/64/815512864.db2.gz KIEXSAYWTSPQCX-SECBINFHSA-N 2 0 274.328 -0.830 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199347 815512926 /nfs/dbraw/zinc/51/29/26/815512926.db2.gz VHTQICXIJXCSJA-SDDRHHMPSA-N 2 0 282.388 -0.561 20 0 CBADRP [NH3+][C@@H](CO)Cc1cncn1-c1cc2c(nn1)CC[NH2+]C2 ZINC001158206649 815514048 /nfs/dbraw/zinc/51/40/48/815514048.db2.gz WVSNXYVTCHUUAV-SNVBAGLBSA-N 2 0 274.328 -0.830 20 0 CBADRP O=C(C=C1CC[NH2+]CC1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158178668 815509217 /nfs/dbraw/zinc/50/92/17/815509217.db2.gz AADPEKHPLMVPCP-CHWSQXEVSA-N 2 0 265.357 -0.257 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179107 815510600 /nfs/dbraw/zinc/51/06/00/815510600.db2.gz IDMFCLCMIZGXME-GRYCIOLGSA-N 2 0 285.388 -0.424 20 0 CBADRP CN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158197052 815511477 /nfs/dbraw/zinc/51/14/77/815511477.db2.gz RMELIICCXHOGKG-ZDUSSCGKSA-N 2 0 296.415 -0.488 20 0 CBADRP O=C(NCCC[NH2+]CCOCCO)[C@H]1C[NH+]2CCC1CC2 ZINC001158196078 815511641 /nfs/dbraw/zinc/51/16/41/815511641.db2.gz JFZBAWSIEKVYSG-AWEZNQCLSA-N 2 0 299.415 -0.567 20 0 CBADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158214763 815514673 /nfs/dbraw/zinc/51/46/73/815514673.db2.gz CIJCCMKANJHCKT-WRWGMCAJSA-N 2 0 267.329 -0.900 20 0 CBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158214944 815515339 /nfs/dbraw/zinc/51/53/39/815515339.db2.gz GECZWIVWGBLWLP-RWMBFGLXSA-N 2 0 282.388 -0.417 20 0 CBADRP C[NH+](C)CCOCC[NH2+]CC(C)(C)S(C)(=O)=O ZINC001116731177 812304922 /nfs/dbraw/zinc/30/49/22/812304922.db2.gz SRDUIIDPVRXEED-UHFFFAOYSA-N 2 0 266.407 -0.023 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306648 815519858 /nfs/dbraw/zinc/51/98/58/815519858.db2.gz VMGCBWDSQAYHSN-RWMBFGLXSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CCOCCO)CC[N@@H+]1C ZINC001158381164 815523169 /nfs/dbraw/zinc/52/31/69/815523169.db2.gz ZAEDVDSJQMYNBZ-CHWSQXEVSA-N 2 0 287.404 -0.569 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@H](C)C(N)=O)CC[N@@H+]1C ZINC001158403210 815527244 /nfs/dbraw/zinc/52/72/44/815527244.db2.gz BGUVEDIYQJDUBI-GRYCIOLGSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC[NH2+]1 ZINC001117972425 812460374 /nfs/dbraw/zinc/46/03/74/812460374.db2.gz TXJNSDFGSUZXPJ-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCn2ccnc2)CC1 ZINC001118087723 812468094 /nfs/dbraw/zinc/46/80/94/812468094.db2.gz DSELLPJZDAYYRL-CYBMUJFWSA-N 2 0 267.377 -0.919 20 0 CBADRP O=C(N1CCC[C@@H]2[NH2+]C[C@@H]21)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158424349 815527844 /nfs/dbraw/zinc/52/78/44/815527844.db2.gz RPHOUZFZTKXFEZ-OWTLIXCDSA-N 3 0 264.373 -0.852 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2nncn2C)CC[N@@H+]1C ZINC001158421124 815528323 /nfs/dbraw/zinc/52/83/23/815528323.db2.gz SCZNKRCEZMEQEC-VXGBXAGGSA-N 2 0 294.403 -0.249 20 0 CBADRP O=C(N1CCC[C@H]2[NH2+]C[C@H]21)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158424346 815528346 /nfs/dbraw/zinc/52/83/46/815528346.db2.gz RPHOUZFZTKXFEZ-HKUMRIAESA-N 3 0 264.373 -0.852 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC(OCCC[NH3+])CC1 ZINC001118140713 812477707 /nfs/dbraw/zinc/47/77/07/812477707.db2.gz WAFGTZULTDJACE-UHFFFAOYSA-N 2 0 273.377 -0.421 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2=CCCOC2)CC1 ZINC001118156412 812482363 /nfs/dbraw/zinc/48/23/63/812482363.db2.gz WITGRIBYYHYEDU-AWEZNQCLSA-N 2 0 269.389 -0.469 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2cn(C)nn2)CC[N@@H+]1C ZINC001158428721 815529026 /nfs/dbraw/zinc/52/90/26/815529026.db2.gz QCGNIOSWXGNTNY-DGCLKSJQSA-N 2 0 294.403 -0.249 20 0 CBADRP O=C(NCC1=CC[NH2+]CC1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001118195513 812489846 /nfs/dbraw/zinc/48/98/46/812489846.db2.gz OEQXRBUEBKYQOI-GFCCVEGCSA-N 2 0 290.371 -0.148 20 0 CBADRP [NH3+]CCCOC1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC001118192486 812490205 /nfs/dbraw/zinc/49/02/05/812490205.db2.gz DKJUADQHBAGZTB-GFCCVEGCSA-N 2 0 285.388 -0.279 20 0 CBADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001118198869 812492679 /nfs/dbraw/zinc/49/26/79/812492679.db2.gz XCFKAGPOZMXEKD-GFCCVEGCSA-N 3 0 254.378 -0.521 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001118202774 812494071 /nfs/dbraw/zinc/49/40/71/812494071.db2.gz FFASAXKGSQAYER-QWRGUYRKSA-N 2 0 268.361 -0.948 20 0 CBADRP CC[NH2+]CCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001118203324 812495555 /nfs/dbraw/zinc/49/55/55/812495555.db2.gz POUJSDXXEBSMRZ-UHFFFAOYSA-N 2 0 266.349 -0.458 20 0 CBADRP [NH3+]C1([C@@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@H]2CF)CC1 ZINC001158569006 815538566 /nfs/dbraw/zinc/53/85/66/815538566.db2.gz UWQYSXVRTYPXQU-VXGBXAGGSA-N 2 0 284.379 -0.573 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3C[NH2+]CCO3)C[C@@H]21 ZINC001118264792 812511082 /nfs/dbraw/zinc/51/10/82/812511082.db2.gz NLBMHFYBILUWFG-YFKTTZPYSA-N 2 0 253.346 -0.439 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC001118278120 812516404 /nfs/dbraw/zinc/51/64/04/812516404.db2.gz SRUIIFDHMVWGAD-CMPLNLGQSA-N 2 0 256.394 -0.149 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)COCC[NH3+])CC1 ZINC001118281908 812518146 /nfs/dbraw/zinc/51/81/46/812518146.db2.gz PQSCAYWOENCZQU-UHFFFAOYSA-N 2 0 273.377 -0.421 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[NH2+]1 ZINC001118325192 812529507 /nfs/dbraw/zinc/52/95/07/812529507.db2.gz BOFVQKNPZTVRGT-WUHRBBMRSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@H](N)CC[NH+](C)C)CC[N@@H+]1C ZINC001118337471 812534313 /nfs/dbraw/zinc/53/43/13/812534313.db2.gz NYVLODUUWCJIPH-UTUOFQBUSA-N 2 0 256.394 -0.136 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[NH2+]C(C)C ZINC001158495909 815535536 /nfs/dbraw/zinc/53/55/36/815535536.db2.gz FQBULDNNRLMMMW-SDDRHHMPSA-N 2 0 283.372 -0.264 20 0 CBADRP CC[NH2+]CCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001118481619 812553507 /nfs/dbraw/zinc/55/35/07/812553507.db2.gz BGIAMCGLRCAMTL-UHFFFAOYSA-N 2 0 268.321 -0.950 20 0 CBADRP [NH3+]CCCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118483149 812553890 /nfs/dbraw/zinc/55/38/90/812553890.db2.gz VBYNYANSDNAOCE-GFCCVEGCSA-N 2 0 270.377 -0.112 20 0 CBADRP COCCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158508277 815536484 /nfs/dbraw/zinc/53/64/84/815536484.db2.gz UYPOWPGOZJFIJR-KBPBESRZSA-N 2 0 299.415 -0.018 20 0 CBADRP C[C@H]1CCN(C(=O)c2cn(CC[NH3+])nn2)C[C@@H]1C[NH3+] ZINC001118505273 812560665 /nfs/dbraw/zinc/56/06/65/812560665.db2.gz BVNTZLPFGFRUOO-UWVGGRQHSA-N 2 0 266.349 -0.706 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001118507264 812563449 /nfs/dbraw/zinc/56/34/49/812563449.db2.gz UOHLXPAHZAMWDT-ZETCQYMHSA-N 2 0 265.317 -0.602 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001118507290 812563828 /nfs/dbraw/zinc/56/38/28/812563828.db2.gz VVJQNTCVVLJCCT-QMMMGPOBSA-N 2 0 253.306 -0.745 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158534878 815537079 /nfs/dbraw/zinc/53/70/79/815537079.db2.gz VBRSBXVPGDJIDI-KZVDOYCCSA-N 3 0 282.388 -0.968 20 0 CBADRP [NH3+][C@H]1CC[C@@H]1C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533332 815537253 /nfs/dbraw/zinc/53/72/53/815537253.db2.gz KHPKMMSQQCOGHS-XJBAAKRRSA-N 2 0 265.357 -0.297 20 0 CBADRP CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001158535125 815537633 /nfs/dbraw/zinc/53/76/33/815537633.db2.gz VVLQSZREFTUIKX-JMSVASOKSA-N 2 0 295.383 -0.133 20 0 CBADRP NC(=O)COC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC001118557423 812575804 /nfs/dbraw/zinc/57/58/04/812575804.db2.gz DWRZITNJLUAXNM-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1C[C@@H]1CCC[NH2+]C1 ZINC001118557508 812576005 /nfs/dbraw/zinc/57/60/05/812576005.db2.gz GGOVERCPTROLSP-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP [NH3+]CCCOC1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001118568705 812577375 /nfs/dbraw/zinc/57/73/75/812577375.db2.gz FRWVCOSLGNHPHL-QWHCGFSZSA-N 2 0 285.388 -0.293 20 0 CBADRP [NH3+]CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001118568952 812577751 /nfs/dbraw/zinc/57/77/51/812577751.db2.gz LDVZPBHBCZPLNY-SECBINFHSA-N 2 0 252.322 -0.719 20 0 CBADRP [NH3+]C1([C@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@@H]2CF)CC1 ZINC001158568170 815537905 /nfs/dbraw/zinc/53/79/05/815537905.db2.gz MJSVUNKZAWJQTP-ZRUFSTJUSA-N 2 0 271.336 -0.755 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567169 815537986 /nfs/dbraw/zinc/53/79/86/815537986.db2.gz FKTJUIFUYOTHIC-YUSALJHKSA-N 2 0 295.362 -0.185 20 0 CBADRP O=C(NCC1=CC[NH2+]CC1)c1cnnn1C1CC[NH2+]CC1 ZINC001118569620 812579206 /nfs/dbraw/zinc/57/92/06/812579206.db2.gz IQDFOCSGRPJUEW-UHFFFAOYSA-N 2 0 290.371 -0.148 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001118569351 812579283 /nfs/dbraw/zinc/57/92/83/812579283.db2.gz FKJCTKXMROXBMD-TUAOUCFPSA-N 2 0 265.361 -0.329 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567835 815538020 /nfs/dbraw/zinc/53/80/20/815538020.db2.gz KQZXHINAOUBAHK-MXWKQRLJSA-N 3 0 272.368 -0.412 20 0 CBADRP CC[NH2+]CC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118571508 812580183 /nfs/dbraw/zinc/58/01/83/812580183.db2.gz DQQASESCKRGONU-LBPRGKRZSA-N 2 0 255.362 -0.035 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158577061 815539083 /nfs/dbraw/zinc/53/90/83/815539083.db2.gz GDJVCKAMTCCDFA-GUBZILKMSA-N 2 0 258.341 -0.802 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158577062 815539156 /nfs/dbraw/zinc/53/91/56/815539156.db2.gz GDJVCKAMTCCDFA-UTLUCORTSA-N 2 0 258.341 -0.802 20 0 CBADRP [NH3+]C1([C@@H]2CN(C(=O)C[C@@H]3COCC[NH2+]3)C[C@H]2CF)CC1 ZINC001158576800 815539183 /nfs/dbraw/zinc/53/91/83/815539183.db2.gz DQGPYLCZBWARGG-IJLUTSLNSA-N 2 0 285.363 -0.100 20 0 CBADRP [NH3+][C@H](C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1)C1CC[NH2+]CC1 ZINC001158579864 815539502 /nfs/dbraw/zinc/53/95/02/815539502.db2.gz YOXRFVYBMVMJSP-XQQFMLRXSA-N 3 0 298.406 -0.151 20 0 CBADRP [NH3+]CCN(CCO)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC001118691083 812601365 /nfs/dbraw/zinc/60/13/65/812601365.db2.gz QELPFFTXTDTQEW-JTQLQIEISA-N 2 0 256.350 -0.909 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCCC(=O)CC1)C1CC[NH2+]CC1 ZINC001158671273 815542973 /nfs/dbraw/zinc/54/29/73/815542973.db2.gz HSFNWMHOKYGPER-GFCCVEGCSA-N 2 0 253.346 -0.105 20 0 CBADRP CO[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)nn2)C[C@@H]1[NH3+] ZINC001158705230 815543992 /nfs/dbraw/zinc/54/39/92/815543992.db2.gz DVZRZIGDCMWNAS-WDEREUQCSA-N 2 0 278.360 -0.952 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001118917981 812661645 /nfs/dbraw/zinc/66/16/45/812661645.db2.gz RIXBHYPZMAFSQO-SNVBAGLBSA-N 2 0 296.375 -0.811 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001118919981 812662135 /nfs/dbraw/zinc/66/21/35/812662135.db2.gz RLOWBLMTJBYFDE-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)NCC2([NH3+])CCOCC2)C1 ZINC001118921442 812662595 /nfs/dbraw/zinc/66/25/95/812662595.db2.gz ULFCJLONDBXNBT-SNVBAGLBSA-N 2 0 256.350 -0.502 20 0 CBADRP c1c(C2CC[NH2+]CC2)nnn1C[C@H]1C[NH2+]CCO1 ZINC001118979453 812682504 /nfs/dbraw/zinc/68/25/04/812682504.db2.gz UGNSOHQQPIDGSU-LLVKDONJSA-N 2 0 251.334 -0.267 20 0 CBADRP [NH3+][C@@H]1CN(c2ccc(N3CC[NH2+]CC3)cn2)CC12COC2 ZINC001158765854 815546208 /nfs/dbraw/zinc/54/62/08/815546208.db2.gz LXDJTZWGAUHQJO-CYBMUJFWSA-N 2 0 289.383 -0.345 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CCOCC1 ZINC001119005741 812689470 /nfs/dbraw/zinc/68/94/70/812689470.db2.gz PWFAOPNPDAYQTL-SDDRHHMPSA-N 2 0 267.373 -0.179 20 0 CBADRP CN1CC[NH+](C2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC2)CC1 ZINC001119056838 812702271 /nfs/dbraw/zinc/70/22/71/812702271.db2.gz YBTKTLRTVWLOGN-OLZOCXBDSA-N 2 0 266.389 -0.428 20 0 CBADRP CN(CCOCC[NH3+])C(=O)COC1CC[NH2+]CC1 ZINC001119242965 812730550 /nfs/dbraw/zinc/73/05/50/812730550.db2.gz KGTBYIFMPQMNAO-UHFFFAOYSA-N 2 0 259.350 -0.811 20 0 CBADRP C[NH+]1CC2(CN(c3cncc(N4CC[NH2+]CC4)n3)C2)C1 ZINC001158866810 815550170 /nfs/dbraw/zinc/55/01/70/815550170.db2.gz ZBMYSYJSEPOIFM-UHFFFAOYSA-N 2 0 274.372 -0.362 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC001119237069 812728013 /nfs/dbraw/zinc/72/80/13/812728013.db2.gz NXOWXXCUFODAJJ-ZDUSSCGKSA-N 2 0 265.361 -0.002 20 0 CBADRP C[C@H]1C[C@H]2CN(C(=O)[C@@]34C[NH2+]C[C@@H]3CCN4)CC[C@H]2O1 ZINC001158855185 815549321 /nfs/dbraw/zinc/54/93/21/815549321.db2.gz FNBFBWHRPCYPCU-XOBFJNJYSA-N 2 0 279.384 -0.036 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001119294809 812744120 /nfs/dbraw/zinc/74/41/20/812744120.db2.gz KFXCMVRZSVTGSC-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP [NH3+][C@H]1CC[C@@H](C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC001119296354 812745646 /nfs/dbraw/zinc/74/56/46/812745646.db2.gz WYDMZAAJTMKVDY-TUAOUCFPSA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC001119296523 812745792 /nfs/dbraw/zinc/74/57/92/812745792.db2.gz VBFRVVFQYRIXGJ-CHWSQXEVSA-N 2 0 286.395 -0.312 20 0 CBADRP C[NH+](C)CCCCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001119295886 812745864 /nfs/dbraw/zinc/74/58/64/812745864.db2.gz HTYNPMPSBATFNK-IBGZPJMESA-N 2 0 289.445 -0.055 20 0 CBADRP Cc1cc(C[NH3+])oc1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001119298155 812746842 /nfs/dbraw/zinc/74/68/42/812746842.db2.gz YMANFRKDTNJZRB-SNVBAGLBSA-N 2 0 253.302 -0.235 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1CC12CC[NH2+]CC2 ZINC001119298788 812747505 /nfs/dbraw/zinc/74/75/05/812747505.db2.gz BEJWCXXFRMLZIH-QWRGUYRKSA-N 2 0 253.346 -0.519 20 0 CBADRP C[NH2+]CCOCCNC(=O)COC1CC[NH2+]CC1 ZINC001119300452 812747713 /nfs/dbraw/zinc/74/77/13/812747713.db2.gz VTGOTERPTDBMGT-UHFFFAOYSA-N 2 0 259.350 -0.893 20 0 CBADRP CCC1([NH3+])CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001119315832 812753369 /nfs/dbraw/zinc/75/33/69/812753369.db2.gz VIZQEWQDCMPTPA-FZMZJTMJSA-N 2 0 267.373 -0.048 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001119324512 812755307 /nfs/dbraw/zinc/75/53/07/812755307.db2.gz GLNJJTIXOGWQER-DTWKUNHWSA-N 2 0 265.304 -0.289 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1C ZINC001119348504 812762668 /nfs/dbraw/zinc/76/26/68/812762668.db2.gz BJKYBWIYHIMBTM-LPWJVIDDSA-N 2 0 294.399 -0.452 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001119355458 812763957 /nfs/dbraw/zinc/76/39/57/812763957.db2.gz SHQVFYYLBBTNAO-IVZWLZJFSA-N 2 0 268.361 -0.903 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001119355741 812765353 /nfs/dbraw/zinc/76/53/53/812765353.db2.gz YKWYEMAUPACODG-DGCLKSJQSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119356635 812765610 /nfs/dbraw/zinc/76/56/10/812765610.db2.gz JPXIEQWJSNCXFM-ZPFDUUQYSA-N 2 0 294.399 -0.561 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001119369098 812769717 /nfs/dbraw/zinc/76/97/17/812769717.db2.gz SALORSRQQXHEGY-FRRDWIJNSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC001119410343 812776709 /nfs/dbraw/zinc/77/67/09/812776709.db2.gz XQQBMLPTTBLDMT-VXGBXAGGSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001119427248 812782053 /nfs/dbraw/zinc/78/20/53/812782053.db2.gz JREPUQRTNRKWGO-TUAOUCFPSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])C1 ZINC001119428420 812782856 /nfs/dbraw/zinc/78/28/56/812782856.db2.gz HXDFOZYPLJQICX-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119427939 812783024 /nfs/dbraw/zinc/78/30/24/812783024.db2.gz WAKWENBUUBSFBB-JOCQHMNTSA-N 2 0 296.415 -0.216 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCn3cncc3C2)C1 ZINC001119544216 812804544 /nfs/dbraw/zinc/80/45/44/812804544.db2.gz HVTFIOURCQJIAC-JTQLQIEISA-N 2 0 277.328 -0.825 20 0 CBADRP COCC[NH2+]CC(=O)N(C)c1cc(C[NH3+])ccn1 ZINC001119559281 812807410 /nfs/dbraw/zinc/80/74/10/812807410.db2.gz DAAGPCIOUGIYOK-UHFFFAOYSA-N 2 0 252.318 -0.261 20 0 CBADRP CCOC(=O)[C@H]1C[NH2+]CCN1C[C@@H]([NH3+])CC(F)F ZINC001119611525 812833107 /nfs/dbraw/zinc/83/31/07/812833107.db2.gz UUYCTWZDDLCGLU-DTWKUNHWSA-N 2 0 265.304 -0.194 20 0 CBADRP C[NH+](C)CC1(O)CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001119903515 812905014 /nfs/dbraw/zinc/90/50/14/812905014.db2.gz AREODMOCHUIIGA-JTQLQIEISA-N 2 0 269.345 -0.820 20 0 CBADRP CN(C)C(=O)c1ccc(CN2CC[NH2+]CC[NH2+]CC2)[nH]1 ZINC001120268480 812945635 /nfs/dbraw/zinc/94/56/35/812945635.db2.gz FWVISPUNXYYSKD-UHFFFAOYSA-N 2 0 279.388 -0.289 20 0 CBADRP CS(=O)(=O)N1CC[C@H](C[NH2+]C2CC(C[NH3+])C2)C1 ZINC001120371344 812955641 /nfs/dbraw/zinc/95/56/41/812955641.db2.gz WEBOIXVPRZNVPA-KPPDAEKUSA-N 2 0 261.391 -0.405 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001120432029 812964383 /nfs/dbraw/zinc/96/43/83/812964383.db2.gz CMBZKIQSJSUALD-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC001120480734 812973013 /nfs/dbraw/zinc/97/30/13/812973013.db2.gz BQTVFMYCCOXZMQ-HUUCEWRRSA-N 3 0 284.448 -0.474 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC001120550567 812988812 /nfs/dbraw/zinc/98/88/12/812988812.db2.gz IDRAWJWDAXPLDP-GHMZBOCLSA-N 2 0 256.350 -0.632 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)NCCN1CCC([NH3+])CC1 ZINC001120547448 812989435 /nfs/dbraw/zinc/98/94/35/812989435.db2.gz ZTQZSNVNZKMXDT-UWVGGRQHSA-N 2 0 257.382 -0.556 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCO1 ZINC001120579335 812996253 /nfs/dbraw/zinc/99/62/53/812996253.db2.gz QCCQZDLHVFHAFL-ROHXPCBUSA-N 2 0 268.361 -0.363 20 0 CBADRP [NH3+]CCCNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001120625499 813002444 /nfs/dbraw/zinc/00/24/44/813002444.db2.gz JMOSPLLVZPSPAK-NWDGAFQWSA-N 2 0 270.377 -0.424 20 0 CBADRP [NH3+]C/C=C/CNC(=O)NCCN1CCC([NH3+])CC1 ZINC001120631848 813003108 /nfs/dbraw/zinc/00/31/08/813003108.db2.gz UZLSACYHADRRDI-OWOJBTEDSA-N 2 0 255.366 -0.776 20 0 CBADRP CN1CCO[C@H](C(=O)N[C@H]2C[NH+]3CCC2CC3)C1 ZINC001120688233 813010730 /nfs/dbraw/zinc/01/07/30/813010730.db2.gz ZONGJCRUIVVLCT-RYUDHWBXSA-N 2 0 253.346 -0.473 20 0 CBADRP CN(CC[NH3+])CCNc1ccc(N2CC[NH2+]CC2)cn1 ZINC001159436934 815572907 /nfs/dbraw/zinc/57/29/07/815572907.db2.gz CPYGLVXOPOGGSW-UHFFFAOYSA-N 2 0 278.404 -0.206 20 0 CBADRP CN(CC[NH3+])CCNc1cc(C2C[NH2+]C2)ncn1 ZINC001159443134 815573754 /nfs/dbraw/zinc/57/37/54/815573754.db2.gz KBJDGYGSIMRYBU-UHFFFAOYSA-N 2 0 250.350 -0.534 20 0 CBADRP C[NH+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CCO)C2 ZINC001121695818 813074976 /nfs/dbraw/zinc/07/49/76/813074976.db2.gz ARQGHEGDISSDQI-UHFFFAOYSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC001121809850 813075559 /nfs/dbraw/zinc/07/55/59/813075559.db2.gz ASBMRNSOYSDIPH-OSMZGAPFSA-N 2 0 266.389 -0.382 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001121895091 813083961 /nfs/dbraw/zinc/08/39/61/813083961.db2.gz ARGUAYRUSJNWMK-YPMHNXCESA-N 2 0 266.389 -0.415 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001121896184 813085519 /nfs/dbraw/zinc/08/55/19/813085519.db2.gz HLBQGEVQLQPQLR-STQMWFEESA-N 2 0 268.405 -0.121 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001121896182 813085610 /nfs/dbraw/zinc/08/56/10/813085610.db2.gz HLBQGEVQLQPQLR-OLZOCXBDSA-N 2 0 268.405 -0.121 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCC(C[NH2+]C)CC1 ZINC001121896137 813086061 /nfs/dbraw/zinc/08/60/61/813086061.db2.gz GHJAWZOZJLKBHM-PWSUYJOCSA-N 2 0 257.378 -0.339 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC[NH2+]1 ZINC001121896534 813086495 /nfs/dbraw/zinc/08/64/95/813086495.db2.gz INEOSWXDIPMXHN-UTUOFQBUSA-N 2 0 252.362 -0.805 20 0 CBADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001121895614 813086537 /nfs/dbraw/zinc/08/65/37/813086537.db2.gz DMRFCGVJQXKRJM-DYEKYZERSA-N 2 0 268.405 -0.136 20 0 CBADRP CC(C)C[NH+]1CCC(NC(=O)C[C@@H](O)C[NH3+])CC1 ZINC001121907501 813088110 /nfs/dbraw/zinc/08/81/10/813088110.db2.gz ZZQWAPJINWPSNR-GFCCVEGCSA-N 2 0 257.378 -0.067 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001121909461 813089056 /nfs/dbraw/zinc/08/90/56/813089056.db2.gz RQGCWWYJVZUAGN-VXGBXAGGSA-N 2 0 282.388 -0.748 20 0 CBADRP C[C@]1(C(=O)N[C@H](CC[NH3+])C(F)F)C[C@@H](O)C[NH2+]1 ZINC001121943183 813094570 /nfs/dbraw/zinc/09/45/70/813094570.db2.gz HLNQNWIUMDUJTH-BRDIYROLSA-N 2 0 251.277 -0.802 20 0 CBADRP N[C@H](CC(=O)NCC[N@@H+]1CCCOCC1)C(F)F ZINC001121963666 813097358 /nfs/dbraw/zinc/09/73/58/813097358.db2.gz KOMCFIWDSRYSRU-SECBINFHSA-N 2 0 265.304 -0.193 20 0 CBADRP [NH3+]CCNCC(=O)NCCC[NH+]1CCCCCC1 ZINC001121974476 813099797 /nfs/dbraw/zinc/09/97/97/813099797.db2.gz IEVLONRNFYDSHY-UHFFFAOYSA-N 2 0 256.394 -0.083 20 0 CBADRP [NH3+][C@H](CO)C(=O)NCCc1cn2c(n1)CCCC2 ZINC001121991582 813101501 /nfs/dbraw/zinc/10/15/01/813101501.db2.gz UPRZBLQICNOJMA-SNVBAGLBSA-N 2 0 252.318 -0.802 20 0 CBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)CNCC[NH3+])[C@H](C)C1 ZINC001122002538 813102283 /nfs/dbraw/zinc/10/22/83/813102283.db2.gz GNAWOFHLFROBEP-VXGBXAGGSA-N 2 0 256.394 -0.277 20 0 CBADRP COCC[NH2+]CC(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001122000955 813103188 /nfs/dbraw/zinc/10/31/88/813103188.db2.gz IMKQAGLHXJORMR-JTQLQIEISA-N 2 0 261.391 -0.566 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CCCO1 ZINC001122067265 813112207 /nfs/dbraw/zinc/11/22/07/813112207.db2.gz BPWWLLDIEQPILH-WISYIIOYSA-N 2 0 253.346 -0.582 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001122080164 813114029 /nfs/dbraw/zinc/11/40/29/813114029.db2.gz CIVYUHOYYKECEN-LPWJVIDDSA-N 2 0 266.389 -0.239 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC001122093577 813115659 /nfs/dbraw/zinc/11/56/59/813115659.db2.gz BDOHLQZSCZPPIW-WVWOOGAGSA-N 2 0 269.389 -0.339 20 0 CBADRP O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001122094991 813116080 /nfs/dbraw/zinc/11/60/80/813116080.db2.gz VOBVEUMHCHMWSU-CHWSQXEVSA-N 2 0 269.389 -0.051 20 0 CBADRP C[C@H]([NH3+])CONC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC001122100059 813116593 /nfs/dbraw/zinc/11/65/93/813116593.db2.gz QVIWRFNGNPNKMI-YUMQZZPRSA-N 2 0 253.306 -0.505 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001122119314 813119998 /nfs/dbraw/zinc/11/99/98/813119998.db2.gz NGNYRGASCANZQV-MRBYEJRBSA-N 2 0 255.362 -0.729 20 0 CBADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001122141432 813122442 /nfs/dbraw/zinc/12/24/42/813122442.db2.gz BWEVSFQIFVTFEM-GARJFASQSA-N 2 0 253.346 -0.249 20 0 CBADRP C[NH+](C)C1(C)CCC(NC(=O)CNCC[NH3+])CC1 ZINC001122141215 813122618 /nfs/dbraw/zinc/12/26/18/813122618.db2.gz VQVCFKFYFOPWPT-UHFFFAOYSA-N 2 0 256.394 -0.086 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC001122142770 813123382 /nfs/dbraw/zinc/12/33/82/813123382.db2.gz ZWHPJHYPWCZQPF-GMXVVIOVSA-N 2 0 265.357 -0.377 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]2(C)C[NH2+]CCO2)C[C@H]1CC[NH3+] ZINC001122144795 813123678 /nfs/dbraw/zinc/12/36/78/813123678.db2.gz GIARHVYWAZFJGA-WZRBSPASSA-N 2 0 255.362 -0.192 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@H](O)C[NH3+])[NH+]1CCCCC1 ZINC001122149296 813124781 /nfs/dbraw/zinc/12/47/81/813124781.db2.gz UUUDWJFVEKYCJA-NWDGAFQWSA-N 2 0 257.378 -0.067 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC001122161543 813126115 /nfs/dbraw/zinc/12/61/15/813126115.db2.gz SVBVFGUXNQCPRZ-QWRGUYRKSA-N 2 0 253.346 -0.295 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)C12CCC(CC1)[NH2+]2 ZINC001122166657 813126808 /nfs/dbraw/zinc/12/68/08/813126808.db2.gz DJIZSVCLDNNPMQ-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH2+][C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cnn(C)c1 ZINC001122185116 813129475 /nfs/dbraw/zinc/12/94/75/813129475.db2.gz MHLXXKGWUFFWPF-TUAOUCFPSA-N 2 0 263.345 -0.357 20 0 CBADRP O=C(N1NC(=O)C[C@@]12CC[NH2+]C2)C12CC[NH+](CC1)C2 ZINC001122191004 813129870 /nfs/dbraw/zinc/12/98/70/813129870.db2.gz TWWDGQZMERJWEH-CYBMUJFWSA-N 2 0 264.329 -0.922 20 0 CBADRP O=C([C@H]1C[NH2+]CCC1(F)F)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001122189903 813130281 /nfs/dbraw/zinc/13/02/81/813130281.db2.gz LEAKHXIPAFYYMI-KCJUWKMLSA-N 2 0 288.298 -0.773 20 0 CBADRP CC(C)([NH3+])CCC(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001122189925 813130355 /nfs/dbraw/zinc/13/03/55/813130355.db2.gz LJZHMRVUYGNLEO-GFCCVEGCSA-N 2 0 254.334 -0.501 20 0 CBADRP CC(C)[C@H]1CN(C(=O)[C@H]2C[NH2+]CCN2C)CC[N@@H+]1C ZINC001122191653 813130431 /nfs/dbraw/zinc/13/04/31/813130431.db2.gz NHHWHXVJJUHPED-CHWSQXEVSA-N 2 0 268.405 -0.311 20 0 CBADRP CC(C)[NH2+]CCC(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001122190043 813130659 /nfs/dbraw/zinc/13/06/59/813130659.db2.gz LZSXBYJWJQDTHA-GFCCVEGCSA-N 2 0 254.334 -0.630 20 0 CBADRP CC[C@H]([NH3+])C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001122195184 813131279 /nfs/dbraw/zinc/13/12/79/813131279.db2.gz DNOOYKRTCXNSCW-UWVGGRQHSA-N 2 0 269.345 -0.475 20 0 CBADRP O=C(C1=CCC[NH2+]CC1)N1CCNCC[NH2+]CC1 ZINC001122200102 813131651 /nfs/dbraw/zinc/13/16/51/813131651.db2.gz DRQDTGXPGUPSHM-UHFFFAOYSA-N 2 0 252.362 -0.682 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001122197178 813132079 /nfs/dbraw/zinc/13/20/79/813132079.db2.gz XTWXJZZSLYVCTK-CYDGBPFRSA-N 2 0 266.389 -0.239 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC001122205557 813132363 /nfs/dbraw/zinc/13/23/63/813132363.db2.gz MEDCSAGRAVUXAP-JULQROHOSA-N 2 0 253.346 -0.574 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC001122205580 813133279 /nfs/dbraw/zinc/13/32/79/813133279.db2.gz MJYOHHIYGOPNOJ-YPMHNXCESA-N 2 0 255.362 -0.312 20 0 CBADRP CCN1CCO[C@@H](C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC001122205358 813133300 /nfs/dbraw/zinc/13/33/00/813133300.db2.gz GWWRUVIUGOUOPA-VXGBXAGGSA-N 2 0 255.362 -0.096 20 0 CBADRP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)C[C@H](O)C[NH3+] ZINC001122215654 813133775 /nfs/dbraw/zinc/13/37/75/813133775.db2.gz YQRVGJSPCCILKT-XPXLGCRWSA-N 2 0 255.362 -0.411 20 0 CBADRP O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CC[NH2+]C[C@H]1CO ZINC001122207858 813134247 /nfs/dbraw/zinc/13/42/47/813134247.db2.gz IZYVWRCOBDYGCH-RWMBFGLXSA-N 2 0 267.373 -0.585 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC001122227010 813136035 /nfs/dbraw/zinc/13/60/35/813136035.db2.gz MYQHZUKVGAAGRV-WOPDTQHZSA-N 2 0 255.362 -0.273 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CCOCC1 ZINC001122226039 813136596 /nfs/dbraw/zinc/13/65/96/813136596.db2.gz FBVUAFMPOLHGCE-OUAUKWLOSA-N 2 0 255.362 -0.146 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001122235195 813137456 /nfs/dbraw/zinc/13/74/56/813137456.db2.gz ZLIMCNKJSNXLPK-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001122278499 813139250 /nfs/dbraw/zinc/13/92/50/813139250.db2.gz WOJSFFUCFSNADA-UONOGXRCSA-N 2 0 298.431 -0.458 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)c1ccn(CCC[NH3+])n1 ZINC001122276792 813139262 /nfs/dbraw/zinc/13/92/62/813139262.db2.gz ILESOHIKAKEPQY-LLVKDONJSA-N 2 0 265.361 -0.040 20 0 CBADRP CCO[C@@H](CNC(=O)[C@H]1C[NH2+]CCO1)C[NH+](C)C ZINC001122270257 813139328 /nfs/dbraw/zinc/13/93/28/813139328.db2.gz KQBHMZJVARFQEG-WDEREUQCSA-N 2 0 259.350 -0.942 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCC[C@@]([NH3+])(CO)C1)[NH+](C)C ZINC001122291451 813141151 /nfs/dbraw/zinc/14/11/51/813141151.db2.gz KRKPWMKGJHWHAE-AAEUAGOBSA-N 2 0 257.378 -0.115 20 0 CBADRP O=C([C@@H]1[NH2+]CC12CCCC2)N1CCNCC[NH2+]CC1 ZINC001122287920 813141245 /nfs/dbraw/zinc/14/12/45/813141245.db2.gz KQAFSOSTZYDLJM-LBPRGKRZSA-N 2 0 266.389 -0.460 20 0 CBADRP COC[C@@]1(C(=O)N2CC[C@@H](CC[NH3+])C2)CC[NH2+]C1 ZINC001122294890 813141721 /nfs/dbraw/zinc/14/17/21/813141721.db2.gz ZXBAJUZMFKPZRA-DGCLKSJQSA-N 2 0 255.362 -0.190 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CC[C@H]1C[NH3+] ZINC001122295093 813141902 /nfs/dbraw/zinc/14/19/02/813141902.db2.gz DDCUJCWWKOHVHR-GRYCIOLGSA-N 2 0 255.362 -0.192 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001122293256 813142100 /nfs/dbraw/zinc/14/21/00/813142100.db2.gz XQGFCJNYLOCNRL-NQBHXWOUSA-N 2 0 255.362 -0.456 20 0 CBADRP [NH3+]Cc1ncc(C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])cn1 ZINC001122318879 813146003 /nfs/dbraw/zinc/14/60/03/813146003.db2.gz AHPAKORXKMRVOA-ZWNOBZJWSA-N 2 0 261.329 -0.111 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC001122326838 813146340 /nfs/dbraw/zinc/14/63/40/813146340.db2.gz JKQPAZVWZDEVFW-MDZLAQPJSA-N 2 0 255.362 -0.144 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]C[C@H]1COC ZINC001122331221 813148124 /nfs/dbraw/zinc/14/81/24/813148124.db2.gz JXLXJOOYODFMKO-TUAOUCFPSA-N 2 0 255.362 -0.179 20 0 CBADRP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C[C@@H](O)C[NH3+] ZINC001122339812 813149336 /nfs/dbraw/zinc/14/93/36/813149336.db2.gz HHFQIAAHKXTUCY-VXGBXAGGSA-N 2 0 257.378 -0.115 20 0 CBADRP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C[C@@H](O)C[NH3+] ZINC001122339809 813149568 /nfs/dbraw/zinc/14/95/68/813149568.db2.gz HHFQIAAHKXTUCY-NWDGAFQWSA-N 2 0 257.378 -0.115 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N[C@]23CCC[C@H]2C[NH2+]C3)=NO1 ZINC001122348771 813150393 /nfs/dbraw/zinc/15/03/93/813150393.db2.gz IMDPWPJZLCGHBU-SBMIAAHKSA-N 2 0 252.318 -0.652 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC001122362335 813153553 /nfs/dbraw/zinc/15/35/53/813153553.db2.gz AQQWGZBPXZHJMZ-NSHDSACASA-N 2 0 280.376 -0.255 20 0 CBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1[NH2+]CC12CCOCC2 ZINC001122383522 813155563 /nfs/dbraw/zinc/15/55/63/813155563.db2.gz CPXYQIIEQARJHD-IRCOFANPSA-N 2 0 265.357 -0.236 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCN(C)CCN(C)CC2)C1 ZINC001122376772 813156159 /nfs/dbraw/zinc/15/61/59/813156159.db2.gz FOBMGZFYAZQYAL-UKRRQHHQSA-N 2 0 298.431 -0.541 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CCC[C@@]12CC[NH2+]C2 ZINC001122410383 813161460 /nfs/dbraw/zinc/16/14/60/813161460.db2.gz BOAMSCTWEADHPR-AAEUAGOBSA-N 2 0 253.346 -0.281 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC001122412694 813162529 /nfs/dbraw/zinc/16/25/29/813162529.db2.gz WXGFDXKFZMVRSC-SRRSOLGSSA-N 2 0 255.362 -0.457 20 0 CBADRP C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1C[N@H+](C)CCN1C ZINC001122448297 813165059 /nfs/dbraw/zinc/16/50/59/813165059.db2.gz MEZGFYYOSILBMF-KKOKHZNYSA-N 2 0 254.378 -0.526 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1cncc(N2CC[NH2+]CC2)n1 ZINC001159786283 815594969 /nfs/dbraw/zinc/59/49/69/815594969.db2.gz XOPOTODUFABSOC-SNVBAGLBSA-N 3 0 265.365 -0.678 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001122475643 813168659 /nfs/dbraw/zinc/16/86/59/813168659.db2.gz GDUFHCBSIJXPEP-LBPRGKRZSA-N 2 0 255.362 -0.051 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001122484295 813169574 /nfs/dbraw/zinc/16/95/74/813169574.db2.gz NYECAZVSFQGKNF-RNJOBUHISA-N 2 0 266.389 -0.654 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncnc2c1CC[NH2+]CC2 ZINC001159780031 815595160 /nfs/dbraw/zinc/59/51/60/815595160.db2.gz ODGMBXVXMZDMCD-NSHDSACASA-N 3 0 250.350 -0.400 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001122535923 813174847 /nfs/dbraw/zinc/17/48/47/813174847.db2.gz LSZNZNBAMPLOTM-UTUOFQBUSA-N 2 0 255.362 -0.219 20 0 CBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001122535762 813175054 /nfs/dbraw/zinc/17/50/54/813175054.db2.gz HGMUJJUOBVVYPL-IJLUTSLNSA-N 2 0 253.346 -0.594 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC001159787090 815596048 /nfs/dbraw/zinc/59/60/48/815596048.db2.gz RCHZEVDFPKIGBA-GFCCVEGCSA-N 3 0 264.377 -0.073 20 0 CBADRP CN(C)S(=O)(=O)c1ccc(N[C@H]([NH3+])CCC[NH3+])nc1 ZINC001159786954 815596139 /nfs/dbraw/zinc/59/61/39/815596139.db2.gz OIFMBJSMDNNDLW-JTQLQIEISA-N 2 0 287.389 -0.233 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N[C@H]2C[NH2+]CC23CC3)C1=O ZINC001122585358 813177592 /nfs/dbraw/zinc/17/75/92/813177592.db2.gz DFCJHBBYASOCJV-QWRGUYRKSA-N 2 0 280.372 -0.948 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC12CC2 ZINC001122585334 813178253 /nfs/dbraw/zinc/17/82/53/813178253.db2.gz CVHLFPWWHIGCOD-BDAKNGLRSA-N 2 0 255.318 -0.865 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2CCC[NH2+]CC2)C[C@@H](O)C[NH2+]1 ZINC001122582242 813178334 /nfs/dbraw/zinc/17/83/34/813178334.db2.gz YKGORWJAJBPFMA-DMDPSCGWSA-N 2 0 255.362 -0.395 20 0 CBADRP Cc1cc2c(c(N[C@H]([NH3+])CCC[NH3+])n1)C(=O)NC2=O ZINC001159786873 815596680 /nfs/dbraw/zinc/59/66/80/815596680.db2.gz MBXSCDTVQCAZJA-QMMMGPOBSA-N 2 0 263.301 -0.291 20 0 CBADRP NS(=O)(=O)c1cccc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159787891 815596708 /nfs/dbraw/zinc/59/67/08/815596708.db2.gz DCDSKPIPILDVKS-SSDOTTSWSA-N 2 0 259.335 -0.835 20 0 CBADRP Cc1cc2c(c(N[C@@H]([NH3+])CCC[NH3+])n1)C(=O)NC2=O ZINC001159786872 815596902 /nfs/dbraw/zinc/59/69/02/815596902.db2.gz MBXSCDTVQCAZJA-MRVPVSSYSA-N 2 0 263.301 -0.291 20 0 CBADRP Cn1cc(C[NH2+]CCCNC(=O)C2([NH+](C)C)CCC2)nn1 ZINC001159853728 815599801 /nfs/dbraw/zinc/59/98/01/815599801.db2.gz JQUYEZFHCIPVDF-UHFFFAOYSA-N 2 0 294.403 -0.105 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159854980 815601408 /nfs/dbraw/zinc/60/14/08/815601408.db2.gz YOCMBARNNDPQHX-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP CN1C[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C[C@@H]2C1=O ZINC001159886894 815603087 /nfs/dbraw/zinc/60/30/87/815603087.db2.gz PLAQXWHHWVGTPI-AGIUHOORSA-N 2 0 296.415 -0.408 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCCn1ccnc1 ZINC001123476855 813241395 /nfs/dbraw/zinc/24/13/95/813241395.db2.gz RHTQNFPZQWUCTR-QWHCGFSZSA-N 2 0 277.372 -0.222 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001123878683 813286190 /nfs/dbraw/zinc/28/61/90/813286190.db2.gz ZQEFHJFRTOLGRT-QJPTWQEYSA-N 2 0 254.378 -0.559 20 0 CBADRP Cn1cc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)cn1 ZINC001124836398 813484963 /nfs/dbraw/zinc/48/49/63/813484963.db2.gz GJSUDPFWHJUPEV-LBPRGKRZSA-N 2 0 265.361 -0.280 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001124836576 813486726 /nfs/dbraw/zinc/48/67/26/813486726.db2.gz HCZNBKJSRFCPKC-LLVKDONJSA-N 2 0 268.361 -0.981 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001124866773 813489957 /nfs/dbraw/zinc/48/99/57/813489957.db2.gz KNGWCORGEPCMNN-WDEREUQCSA-N 2 0 268.361 -0.983 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124872459 813490775 /nfs/dbraw/zinc/49/07/75/813490775.db2.gz GOSMDGUEOXPBLT-GFCCVEGCSA-N 2 0 280.376 -0.402 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCn1cccn1 ZINC001124867447 813491288 /nfs/dbraw/zinc/49/12/88/813491288.db2.gz VZBRKHKIMZLWSE-GFCCVEGCSA-N 2 0 265.361 -0.317 20 0 CBADRP CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124872479 813492233 /nfs/dbraw/zinc/49/22/33/813492233.db2.gz HIOBOGMFYYAAGZ-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124879541 813494231 /nfs/dbraw/zinc/49/42/31/813494231.db2.gz VVDSZOHIDLMNCZ-LBPRGKRZSA-N 2 0 299.419 -0.506 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001124879658 813494466 /nfs/dbraw/zinc/49/44/66/813494466.db2.gz YBBCGYMOVNHVOP-NEPJUHHUSA-N 2 0 292.387 -0.435 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001124878762 813494554 /nfs/dbraw/zinc/49/45/54/813494554.db2.gz OIDLNAFMAQKMRR-NSHDSACASA-N 2 0 266.349 -0.922 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001124879472 813494599 /nfs/dbraw/zinc/49/45/99/813494599.db2.gz UQCIUTAVCDJXEI-OLZOCXBDSA-N 2 0 296.415 -0.297 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127066829 813709971 /nfs/dbraw/zinc/70/99/71/813709971.db2.gz SRCMDBHCHVSLQS-NSHDSACASA-N 2 0 270.377 -0.689 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127066248 813710201 /nfs/dbraw/zinc/71/02/01/813710201.db2.gz KFFDZFSMPSRZFT-LBPRGKRZSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCOCCO ZINC001127067120 813710445 /nfs/dbraw/zinc/71/04/45/813710445.db2.gz WVUJEVHLMBZZIW-CYBMUJFWSA-N 2 0 287.404 -0.426 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCO ZINC001127081730 813711462 /nfs/dbraw/zinc/71/14/62/813711462.db2.gz AEFQYGIHQUXSGJ-LBPRGKRZSA-N 2 0 257.378 -0.053 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001127082562 813711834 /nfs/dbraw/zinc/71/18/34/813711834.db2.gz UYEGNLNFDAJZRH-QWHCGFSZSA-N 2 0 296.415 -0.204 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127257354 813721871 /nfs/dbraw/zinc/72/18/71/813721871.db2.gz XVMPCHHYVNWZKY-QWHCGFSZSA-N 2 0 296.415 -0.297 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127260228 813721979 /nfs/dbraw/zinc/72/19/79/813721979.db2.gz AABUTXNJRFNSDL-RYUDHWBXSA-N 2 0 255.362 -0.441 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256003 813722231 /nfs/dbraw/zinc/72/22/31/813722231.db2.gz LVIOJKBCDOUZHS-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127357483 813724914 /nfs/dbraw/zinc/72/49/14/813724914.db2.gz ZDVQMRVUFABRPT-LBPRGKRZSA-N 2 0 296.415 -0.168 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127474697 813731556 /nfs/dbraw/zinc/73/15/56/813731556.db2.gz NWAOHUXBHGDZJW-CYBMUJFWSA-N 2 0 296.415 -0.488 20 0 CBADRP Cn1cc(C[NH2+]CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC001127475393 813731635 /nfs/dbraw/zinc/73/16/35/813731635.db2.gz UXYRAPJZWKMVRR-CQSZACIVSA-N 2 0 291.399 -0.032 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481504 813734148 /nfs/dbraw/zinc/73/41/48/813734148.db2.gz UJIDMPJYJQMPCT-CQSZACIVSA-N 2 0 299.415 -0.303 20 0 CBADRP C[C@H](O)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127480820 813734303 /nfs/dbraw/zinc/73/43/03/813734303.db2.gz MUYJTZMVQWYKMR-CMPLNLGQSA-N 2 0 255.362 -0.585 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001127643798 813738930 /nfs/dbraw/zinc/73/89/30/813738930.db2.gz LOVBLTYOBYXGHT-QJPTWQEYSA-N 2 0 284.404 -0.491 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001127644263 813739526 /nfs/dbraw/zinc/73/95/26/813739526.db2.gz XESHXQSUBXEBMW-UTUOFQBUSA-N 2 0 282.388 -0.737 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127639385 813739825 /nfs/dbraw/zinc/73/98/25/813739825.db2.gz ZFULYGQWAJCDFB-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP CC(C)OCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127760320 813746642 /nfs/dbraw/zinc/74/66/42/813746642.db2.gz JEGHPCWXODIPLX-KBPBESRZSA-N 2 0 299.415 -0.020 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)[C@@H](F)C[NH+](CC)CC)C(N)=O ZINC001128539866 813781103 /nfs/dbraw/zinc/78/11/03/813781103.db2.gz MHHZHPPFDSJFIB-WDEREUQCSA-N 2 0 290.383 -0.364 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC ZINC001128773534 813796786 /nfs/dbraw/zinc/79/67/86/813796786.db2.gz AQGJUGKGPBPDNN-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC ZINC001128773909 813796935 /nfs/dbraw/zinc/79/69/35/813796935.db2.gz IHUGXKQIEOHABG-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001128778736 813798991 /nfs/dbraw/zinc/79/89/91/813798991.db2.gz LEJYNUOOCHKRDO-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COC ZINC001128778740 813799220 /nfs/dbraw/zinc/79/92/20/813799220.db2.gz LFRUWOYJTMBWHG-QWHCGFSZSA-N 2 0 287.404 -0.426 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COC ZINC001128778738 813799754 /nfs/dbraw/zinc/79/97/54/813799754.db2.gz LFRUWOYJTMBWHG-CHWSQXEVSA-N 2 0 287.404 -0.426 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)C)C1 ZINC001129328315 813836371 /nfs/dbraw/zinc/83/63/71/813836371.db2.gz OGFWQCMTOWRBJH-CYBMUJFWSA-N 2 0 298.431 -0.242 20 0 CBADRP C[NH+](C)C1(C(=O)NCC[NH2+]CC(=O)N2CCC2)CCC1 ZINC001129352043 813837172 /nfs/dbraw/zinc/83/71/72/813837172.db2.gz UPKMZULTJCGCME-UHFFFAOYSA-N 2 0 282.388 -0.591 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435155 813842649 /nfs/dbraw/zinc/84/26/49/813842649.db2.gz CFYQAOBXUUCCKB-ZDUSSCGKSA-N 2 0 284.404 -0.441 20 0 CBADRP Cn1cc(C[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)cn1 ZINC001129436805 813842812 /nfs/dbraw/zinc/84/28/12/813842812.db2.gz SWXVCGVTIAPLFQ-CYBMUJFWSA-N 2 0 279.388 -0.034 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)C(N)=O ZINC001129444572 813845667 /nfs/dbraw/zinc/84/56/67/813845667.db2.gz VIWDDLPEWNRHKI-MNOVXSKESA-N 2 0 270.377 -0.704 20 0 CBADRP C[N@H+](CC(=O)NCC[NH2+]CCOCCO)C1CCC1 ZINC001129531767 813849181 /nfs/dbraw/zinc/84/91/81/813849181.db2.gz JUICUIYUWWQMKH-UHFFFAOYSA-N 2 0 273.377 -0.815 20 0 CBADRP C[N@H+](CC(=O)NCC[NH2+]CC(=O)NC1CC1)C1CCC1 ZINC001129532432 813850252 /nfs/dbraw/zinc/85/02/52/813850252.db2.gz ZYKVUHOCQQKUJG-UHFFFAOYSA-N 2 0 282.388 -0.545 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129532376 813850272 /nfs/dbraw/zinc/85/02/72/813850272.db2.gz ZKIWWIQOWHAIRJ-LBPRGKRZSA-N 2 0 273.377 -0.816 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1=O ZINC001129839515 813869397 /nfs/dbraw/zinc/86/93/97/813869397.db2.gz AWROBTJDMYBMBZ-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129839434 813869431 /nfs/dbraw/zinc/86/94/31/813869431.db2.gz ACNCTNYKBLISAI-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129855619 813871612 /nfs/dbraw/zinc/87/16/12/813871612.db2.gz HWMKRGVTOXIHDC-LBPRGKRZSA-N 2 0 294.403 -0.105 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)[NH+](C)C ZINC001129947018 813881762 /nfs/dbraw/zinc/88/17/62/813881762.db2.gz FTBQRTJZCMUOJP-ZJUUUORDSA-N 2 0 258.366 -0.848 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CCOCCO)[NH+](C)C ZINC001129947063 813883104 /nfs/dbraw/zinc/88/31/04/813883104.db2.gz IEXKXRHSWSXRHO-LBPRGKRZSA-N 2 0 275.393 -0.713 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001130197518 813916639 /nfs/dbraw/zinc/91/66/39/813916639.db2.gz KINRARVHUHRCCP-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)N1CCCC1)[NH+](C)C ZINC001130197958 813916790 /nfs/dbraw/zinc/91/67/90/813916790.db2.gz SHTJTTXKWRLUAL-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001130197778 813916898 /nfs/dbraw/zinc/91/68/98/813916898.db2.gz OZPPHVLQLHCXAZ-VXGBXAGGSA-N 2 0 286.420 -0.053 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21)[NH+](C)C ZINC001130205799 813918404 /nfs/dbraw/zinc/91/84/04/813918404.db2.gz WXBXLSKZTHOPJN-VXGBXAGGSA-N 2 0 294.403 -0.189 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)COC)[NH+](C)C ZINC001130202996 813919041 /nfs/dbraw/zinc/91/90/41/813919041.db2.gz DLHISBZDVSOKTH-GHMZBOCLSA-N 2 0 261.366 -0.960 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130297269 813923716 /nfs/dbraw/zinc/92/37/16/813923716.db2.gz JVWBTYBXDBVXLJ-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130419013 813938622 /nfs/dbraw/zinc/93/86/22/813938622.db2.gz HNMQIYBPKXAMGZ-UHFFFAOYSA-N 2 0 272.393 -0.441 20 0 CBADRP CN(CCC(=O)NCC[NH2+]CC(N)=O)c1cc[nH+]cc1 ZINC001130556432 813953213 /nfs/dbraw/zinc/95/32/13/813953213.db2.gz HFFCMSBTNOSXAU-UHFFFAOYSA-N 2 0 279.344 -0.901 20 0 CBADRP CN(CCC(=O)NCC[NH2+]CCCO)c1cc[nH+]cc1 ZINC001130558971 813953858 /nfs/dbraw/zinc/95/38/58/813953858.db2.gz XMKBVFLMPAHYNC-UHFFFAOYSA-N 2 0 280.372 -0.004 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001130711083 813968468 /nfs/dbraw/zinc/96/84/68/813968468.db2.gz MXXXWCLTZSUZSB-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001130808588 813984376 /nfs/dbraw/zinc/98/43/76/813984376.db2.gz HNKYYUHCXPGZCE-SNVBAGLBSA-N 2 0 268.361 -0.806 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130805995 813984548 /nfs/dbraw/zinc/98/45/48/813984548.db2.gz XQQRFZUWJRSOAK-UHFFFAOYSA-N 2 0 292.387 -0.351 20 0 CBADRP O=C(NCC[NH2+]CCn1cncn1)c1ccn2c[nH+]cc2c1 ZINC001130874475 813989586 /nfs/dbraw/zinc/98/95/86/813989586.db2.gz AAWCQOKLRZHUCQ-UHFFFAOYSA-N 2 0 299.338 -0.055 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131374475 814023954 /nfs/dbraw/zinc/02/39/54/814023954.db2.gz BYOQLQKKLBRETM-JTQLQIEISA-N 2 0 289.339 -0.212 20 0 CBADRP O=C(NCC[NH2+][C@H]1CCNC1=O)c1ccc2c[nH+]cn2c1 ZINC001131370846 814024244 /nfs/dbraw/zinc/02/42/44/814024244.db2.gz WJKNFXSOEWKZSE-LBPRGKRZSA-N 2 0 287.323 -0.458 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520285 814038527 /nfs/dbraw/zinc/03/85/27/814038527.db2.gz WWUOTHCOCZMKTM-LXVYMNJGSA-N 2 0 283.372 -0.798 20 0 CBADRP C[C@H](O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790339 814068760 /nfs/dbraw/zinc/06/87/60/814068760.db2.gz LSKYLOLVFCRZKX-AAEUAGOBSA-N 2 0 269.389 -0.053 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C(N)=O ZINC001131789949 814069641 /nfs/dbraw/zinc/06/96/41/814069641.db2.gz BSRLBCUOKDVESO-QWHCGFSZSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790341 814070093 /nfs/dbraw/zinc/07/00/93/814070093.db2.gz LSKYLOLVFCRZKX-WCQYABFASA-N 2 0 269.389 -0.053 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132280220 814120953 /nfs/dbraw/zinc/12/09/53/814120953.db2.gz CJZRSZJYGBKCCD-UHFFFAOYSA-N 2 0 270.377 -0.687 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001132736472 814182436 /nfs/dbraw/zinc/18/24/36/814182436.db2.gz APVVHWSXLVNKGS-NSHDSACASA-N 2 0 270.377 -0.701 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]CCO)C1 ZINC001132738522 814182642 /nfs/dbraw/zinc/18/26/42/814182642.db2.gz GYMOEABAOBXFIM-GFCCVEGCSA-N 2 0 257.378 -0.194 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C)C1 ZINC001132738347 814182848 /nfs/dbraw/zinc/18/28/48/814182848.db2.gz ZOXFZUDLZSIWGA-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132882806 814197231 /nfs/dbraw/zinc/19/72/31/814197231.db2.gz JEDHUWXJGPFTOI-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+][C@H]2CCCNC2=O)CC[N@@H+]1C ZINC001132886154 814197449 /nfs/dbraw/zinc/19/74/49/814197449.db2.gz DJVRPMPPJHAXBH-AVGNSLFASA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)NC2CC2)CC[N@@H+]1C ZINC001132886884 814197775 /nfs/dbraw/zinc/19/77/75/814197775.db2.gz VPSHGONJYZWUPM-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP CCCCNC(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132992552 814205245 /nfs/dbraw/zinc/20/52/45/814205245.db2.gz BOWIALQUZPJPEG-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993428 814207061 /nfs/dbraw/zinc/20/70/61/814207061.db2.gz TXSPBPHGBXUBMV-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)CCCC(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001133040522 814211828 /nfs/dbraw/zinc/21/18/28/814211828.db2.gz VGMBGSQSYKLKKF-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP C[NH+](C)CCCC(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001133051989 814211845 /nfs/dbraw/zinc/21/18/45/814211845.db2.gz XEVMXPIDBKLSJL-UHFFFAOYSA-N 2 0 293.433 -0.531 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040547 814212364 /nfs/dbraw/zinc/21/23/64/814212364.db2.gz WIDGDBOAICRXOI-LLVKDONJSA-N 2 0 261.366 -0.959 20 0 CBADRP C[NH+](C)CCCC(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001133051787 814212416 /nfs/dbraw/zinc/21/24/16/814212416.db2.gz OQJDMMUNXMUXIC-UHFFFAOYSA-N 2 0 297.359 -0.339 20 0 CBADRP C[NH+](C)CCCC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001133052005 814212703 /nfs/dbraw/zinc/21/27/03/814212703.db2.gz XXDRGZSMVAURRK-ZDUSSCGKSA-N 2 0 297.403 -0.708 20 0 CBADRP CC(C)NC(=O)NCC[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133287964 814235124 /nfs/dbraw/zinc/23/51/24/814235124.db2.gz QOTUBYQUJIZUDH-UHFFFAOYSA-N 2 0 287.408 -0.649 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001133287041 814235307 /nfs/dbraw/zinc/23/53/07/814235307.db2.gz DKRBVQJRUCTJCD-LLVKDONJSA-N 2 0 280.376 -0.577 20 0 CBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CCn2cccn2)CC1 ZINC001133281957 814235377 /nfs/dbraw/zinc/23/53/77/814235377.db2.gz VFGUOXNDKAWVAL-UHFFFAOYSA-N 2 0 279.388 -0.069 20 0 CBADRP Cn1cncc1C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133286158 814235680 /nfs/dbraw/zinc/23/56/80/814235680.db2.gz ZSFAVIFVXPIWMH-UHFFFAOYSA-N 2 0 279.388 -0.032 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]CCn1cccn1 ZINC001133287350 814235720 /nfs/dbraw/zinc/23/57/20/814235720.db2.gz ILIRPKULFPFESK-UHFFFAOYSA-N 2 0 253.350 -0.459 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001133287353 814235804 /nfs/dbraw/zinc/23/58/04/814235804.db2.gz ILLKEZXYKOEGQK-LBPRGKRZSA-N 2 0 284.404 -0.440 20 0 CBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CCOCCO)CC1 ZINC001133281830 814236273 /nfs/dbraw/zinc/23/62/73/814236273.db2.gz OQAUAJGFSUGWMZ-UHFFFAOYSA-N 2 0 273.377 -0.957 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC001133296889 814239378 /nfs/dbraw/zinc/23/93/78/814239378.db2.gz DAQWAQQAWJHGNE-VIFPVBQESA-N 2 0 285.310 -0.043 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001133300404 814240230 /nfs/dbraw/zinc/24/02/30/814240230.db2.gz ZLDTVAQXPCHTPN-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1=O ZINC001133418982 814251214 /nfs/dbraw/zinc/25/12/14/814251214.db2.gz HGZTZCVDERFAEJ-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001133415965 814251361 /nfs/dbraw/zinc/25/13/61/814251361.db2.gz WXBPKMBCELYUKV-GHMZBOCLSA-N 2 0 270.377 -0.833 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+]CCN1CCNC1=O)[NH+](C)C ZINC001133419267 814251628 /nfs/dbraw/zinc/25/16/28/814251628.db2.gz KDOLIFGSDNSUJO-GFCCVEGCSA-N 2 0 299.419 -0.696 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133419545 814252180 /nfs/dbraw/zinc/25/21/80/814252180.db2.gz RNLVEUMYVLXBHU-VXGBXAGGSA-N 2 0 275.393 -0.714 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)[NH+](CC)CC ZINC001133684978 814287121 /nfs/dbraw/zinc/28/71/21/814287121.db2.gz OEJJOTWHNVQIER-WDEREUQCSA-N 2 0 272.393 -0.314 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CCOCCO)[NH+](CC)CC ZINC001133688040 814288167 /nfs/dbraw/zinc/28/81/67/814288167.db2.gz SFQMQVMRICSLRE-CYBMUJFWSA-N 2 0 289.420 -0.179 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001133820033 814299448 /nfs/dbraw/zinc/29/94/48/814299448.db2.gz WBLRYJDXTRTTJR-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001133819843 814300028 /nfs/dbraw/zinc/30/00/28/814300028.db2.gz PNOVMVJZKFEFFI-GHMZBOCLSA-N 2 0 268.361 -0.935 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133819777 814300454 /nfs/dbraw/zinc/30/04/54/814300454.db2.gz NWZLNIGMTFRROG-NEPJUHHUSA-N 2 0 273.377 -0.816 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133819779 814300925 /nfs/dbraw/zinc/30/09/25/814300925.db2.gz NWZLNIGMTFRROG-RYUDHWBXSA-N 2 0 273.377 -0.816 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001133820151 814301730 /nfs/dbraw/zinc/30/17/30/814301730.db2.gz ZXJLJMKQMLMVSX-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133824001 814301808 /nfs/dbraw/zinc/30/18/08/814301808.db2.gz VPJFKRZUZMOUCZ-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001133820149 814303681 /nfs/dbraw/zinc/30/36/81/814303681.db2.gz ZXJLJMKQMLMVSX-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133846155 814307928 /nfs/dbraw/zinc/30/79/28/814307928.db2.gz VBYAPRJMSRRICS-NSHDSACASA-N 2 0 270.377 -0.830 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCn1cccn1 ZINC001133862841 814310347 /nfs/dbraw/zinc/31/03/47/814310347.db2.gz GUTDAQBSZSWGJA-CHWSQXEVSA-N 2 0 279.388 -0.213 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133863327 814312316 /nfs/dbraw/zinc/31/23/16/814312316.db2.gz LDGIAOSRDHZXLG-STQMWFEESA-N 2 0 298.431 -0.338 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001133867398 814313072 /nfs/dbraw/zinc/31/30/72/814313072.db2.gz UAIWJPSFDXSCFM-DGCLKSJQSA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cnn(C)c1 ZINC001133867040 814313515 /nfs/dbraw/zinc/31/35/15/814313515.db2.gz QSDXUCMAVPVUTJ-YPMHNXCESA-N 2 0 279.388 -0.176 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cncn1C ZINC001133866725 814314884 /nfs/dbraw/zinc/31/48/84/814314884.db2.gz OFTIURDAXPZSOI-DGCLKSJQSA-N 2 0 279.388 -0.176 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cncn1C ZINC001133866727 814316044 /nfs/dbraw/zinc/31/60/44/814316044.db2.gz OFTIURDAXPZSOI-YPMHNXCESA-N 2 0 279.388 -0.176 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133869726 814316640 /nfs/dbraw/zinc/31/66/40/814316640.db2.gz KCMCXCFHBNYWOQ-QWHCGFSZSA-N 2 0 298.431 -0.242 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133869735 814317933 /nfs/dbraw/zinc/31/79/33/814317933.db2.gz KEXOPWFDJKLNRY-YPMHNXCESA-N 2 0 294.403 -0.299 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133869727 814318565 /nfs/dbraw/zinc/31/85/65/814318565.db2.gz KCMCXCFHBNYWOQ-STQMWFEESA-N 2 0 298.431 -0.242 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)C[N@@H+]2CCC(C)(C)C2)C1=O ZINC001133896450 814319159 /nfs/dbraw/zinc/31/91/59/814319159.db2.gz JNGQYTYWUSIVJN-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133899460 814320264 /nfs/dbraw/zinc/32/02/64/814320264.db2.gz HRNLGNNXZGJLQC-UHFFFAOYSA-N 2 0 286.420 -0.194 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133906243 814321986 /nfs/dbraw/zinc/32/19/86/814321986.db2.gz RTNZLALQPASTPA-LBPRGKRZSA-N 2 0 289.420 -0.323 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C)C1=O ZINC001133908444 814322633 /nfs/dbraw/zinc/32/26/33/814322633.db2.gz RIRRZGOGNSJMFM-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)COC)[NH+](C)C ZINC001133962129 814330383 /nfs/dbraw/zinc/33/03/83/814330383.db2.gz DLHISBZDVSOKTH-QWRGUYRKSA-N 2 0 261.366 -0.960 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001133965923 814330695 /nfs/dbraw/zinc/33/06/95/814330695.db2.gz PPCCRSVJIDYQBW-JTQLQIEISA-N 2 0 258.366 -0.879 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133968226 814331167 /nfs/dbraw/zinc/33/11/67/814331167.db2.gz RZGNNIYTANCPPZ-RYUDHWBXSA-N 2 0 286.420 -0.053 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O)[NH+](C)C ZINC001133962395 814331384 /nfs/dbraw/zinc/33/13/84/814331384.db2.gz HRLNXBVEBAQGFK-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134020881 814339370 /nfs/dbraw/zinc/33/93/70/814339370.db2.gz JJKOBXRWOFUOEZ-CHWSQXEVSA-N 2 0 287.404 -0.426 20 0 CBADRP C[C@H](C(=O)NCC[NH2+][C@H]1CCNC1=O)[NH+]1CCCCCC1 ZINC001134756620 814410972 /nfs/dbraw/zinc/41/09/72/814410972.db2.gz GYSJASKDIIUREU-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCO ZINC001134767052 814411581 /nfs/dbraw/zinc/41/15/81/814411581.db2.gz QQNONXOLVJBCGC-GFCCVEGCSA-N 2 0 257.378 -0.053 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134750333 814411624 /nfs/dbraw/zinc/41/16/24/814411624.db2.gz UWSMQGWTGKYIIL-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001134780603 814412737 /nfs/dbraw/zinc/41/27/37/814412737.db2.gz NORBZCVKNJOOIW-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH+]1CCC(CC(=O)NCC[NH2+]CC(=O)NC2CC2)CC1 ZINC001134780699 814412804 /nfs/dbraw/zinc/41/28/04/814412804.db2.gz SEQQTEIYPGGMEZ-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH+]1CCC(CC(=O)NCC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001134780316 814412967 /nfs/dbraw/zinc/41/29/67/814412967.db2.gz AGNCZTAHEITIBJ-GFCCVEGCSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001134780308 814413110 /nfs/dbraw/zinc/41/31/10/814413110.db2.gz AABDEVBRPBCLSK-SNVBAGLBSA-N 2 0 270.377 -0.702 20 0 CBADRP O=C(NCC[NH2+]CCOCCO)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135095678 814437712 /nfs/dbraw/zinc/43/77/12/814437712.db2.gz NRFAORRSGDXSRJ-KGLIPLIRSA-N 2 0 299.415 -0.282 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135092649 814438415 /nfs/dbraw/zinc/43/84/15/814438415.db2.gz AIDKBLTYCISVNF-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298347 814459861 /nfs/dbraw/zinc/45/98/61/814459861.db2.gz LMHCRBUFHIWDQJ-WDEREUQCSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298427 814460224 /nfs/dbraw/zinc/46/02/24/814460224.db2.gz MHKJJQXFVQMIAF-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]CC(N)=O ZINC001135314392 814461037 /nfs/dbraw/zinc/46/10/37/814461037.db2.gz ABTHSASARUFWOX-MNOVXSKESA-N 2 0 272.393 -0.314 20 0 CBADRP Cn1ncc(C[NH2+]CCCNC(=O)[C@@H](C2CC2)[NH+](C)C)n1 ZINC001159915254 815604922 /nfs/dbraw/zinc/60/49/22/815604922.db2.gz ILZJUXOVBBZUCN-CYBMUJFWSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@@H](O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159932366 815606371 /nfs/dbraw/zinc/60/63/71/815606371.db2.gz PTJJTUYRAVDVMU-PWSUYJOCSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)CC[NH+](C)C ZINC001135373376 814470390 /nfs/dbraw/zinc/47/03/90/814470390.db2.gz WBCLRTOKWBTQJU-QWHCGFSZSA-N 2 0 289.420 -0.180 20 0 CBADRP C[C@@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)CC[NH+](C)C ZINC001135373377 814470968 /nfs/dbraw/zinc/47/09/68/814470968.db2.gz WBCLRTOKWBTQJU-STQMWFEESA-N 2 0 289.420 -0.180 20 0 CBADRP C[C@H](C[C@H](C)NC(=O)C1CC[NH+](C)CC1)[NH2+]CC(N)=O ZINC001135392307 814471703 /nfs/dbraw/zinc/47/17/03/814471703.db2.gz ZKGVKIQYEDEOOG-MNOVXSKESA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001135392309 814474733 /nfs/dbraw/zinc/47/47/33/814474733.db2.gz ZKGVKIQYEDEOOG-QWRGUYRKSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001159997597 815607656 /nfs/dbraw/zinc/60/76/56/815607656.db2.gz SYXOEBSQVDTNKG-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+][C@@H]1CCNC1=O)C(C)C ZINC001135477888 814477746 /nfs/dbraw/zinc/47/77/46/814477746.db2.gz SMSQDMTWKGGPCK-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001135508334 814479928 /nfs/dbraw/zinc/47/99/28/814479928.db2.gz LKAFGFNCVZVPKH-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001135511697 814481841 /nfs/dbraw/zinc/48/18/41/814481841.db2.gz ZEPJCNRZYCNARB-JTQLQIEISA-N 2 0 258.366 -0.832 20 0 CBADRP [NH3+]C1(C(=O)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)CC1 ZINC001160155534 815610799 /nfs/dbraw/zinc/61/07/99/815610799.db2.gz IMFPSCBGVXVRGO-TXEJJXNPSA-N 2 0 265.357 -0.201 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001160274194 815613661 /nfs/dbraw/zinc/61/36/61/815613661.db2.gz QKVNYNUIBDXKCW-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135706738 814513035 /nfs/dbraw/zinc/51/30/35/814513035.db2.gz BVXXHJRPSLZECP-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001135861670 814533345 /nfs/dbraw/zinc/53/33/45/814533345.db2.gz VGSGFVQDDSWIDS-GHMZBOCLSA-N 2 0 272.393 -0.314 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001135981087 814542701 /nfs/dbraw/zinc/54/27/01/814542701.db2.gz XLMJHPAGVGNUDC-MNOVXSKESA-N 2 0 272.393 -0.314 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC ZINC001135975735 814543092 /nfs/dbraw/zinc/54/30/92/814543092.db2.gz BNZQDOZMPZJZEG-NWDGAFQWSA-N 2 0 286.420 -0.053 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cnc(N)nc1 ZINC001138165074 814601584 /nfs/dbraw/zinc/60/15/84/814601584.db2.gz GSTZPLZEUOSKRL-UHFFFAOYSA-N 2 0 266.393 -0.016 20 0 CBADRP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001138467372 814609738 /nfs/dbraw/zinc/60/97/38/814609738.db2.gz IPNZMYWWOMKVQG-UHFFFAOYSA-N 2 0 295.387 -0.125 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CNC(=O)c1ccco1 ZINC001142121400 814689291 /nfs/dbraw/zinc/68/92/91/814689291.db2.gz XEMPMDGEWFVBQK-UHFFFAOYSA-N 2 0 281.316 -0.530 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cn1cccn1 ZINC001142159090 814697872 /nfs/dbraw/zinc/69/78/72/814697872.db2.gz RAIYKMCSLPUKPJ-UHFFFAOYSA-N 2 0 266.349 -0.053 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)COc1cccnc1 ZINC001142310520 814707209 /nfs/dbraw/zinc/70/72/09/814707209.db2.gz KKBLMFKHZQMDQR-UHFFFAOYSA-N 2 0 265.317 -0.079 20 0 CBADRP Cc1cnc(N[C@H]2C[NH2+]C[C@@H]2CO)nc1C1C[NH2+]C1 ZINC001159683439 815589051 /nfs/dbraw/zinc/58/90/51/815589051.db2.gz TVHMCZBFJZPION-MNOVXSKESA-N 2 0 263.345 -0.536 20 0 CBADRP C[NH2+]CCC(=O)N1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001159634274 815582794 /nfs/dbraw/zinc/58/27/94/815582794.db2.gz AJWMUZHJJXWGIT-ZIAGYGMSSA-N 2 0 299.415 -0.208 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001142634929 814727212 /nfs/dbraw/zinc/72/72/12/814727212.db2.gz CQHWATNQSQPWMC-LBPRGKRZSA-N 2 0 283.372 -0.179 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CCC(=O)N1 ZINC001143134489 814758738 /nfs/dbraw/zinc/75/87/38/814758738.db2.gz MAQXGXRJJMXAEX-VIFPVBQESA-N 2 0 269.349 -0.671 20 0 CBADRP CN1CC[NH+](CCC(=O)N2CC[N@@H+]3CC[C@H]3C2)CC1 ZINC001143230528 814764729 /nfs/dbraw/zinc/76/47/29/814764729.db2.gz BCNBMFFWTVNUAP-ZDUSSCGKSA-N 2 0 266.389 -0.460 20 0 CBADRP CN(CC(=O)N1CC[NH+](CCC(C)(C)O)CC1)C(N)=[NH2+] ZINC001144136324 814773361 /nfs/dbraw/zinc/77/33/61/814773361.db2.gz IEVUXXNSEJRCCB-UHFFFAOYSA-N 2 0 285.392 -0.883 20 0 CBADRP CN(CC(=O)N1CC[NH+](C(C)(C)C)CC1)C(N)=[NH2+] ZINC001144132625 814773366 /nfs/dbraw/zinc/77/33/66/814773366.db2.gz YSEAHMWSLWAOIG-UHFFFAOYSA-N 2 0 255.366 -0.246 20 0 CBADRP CN(CC(=O)NCC12CC[NH+](CC1)CC2)C(N)=[NH2+] ZINC001144141980 814773594 /nfs/dbraw/zinc/77/35/94/814773594.db2.gz GHFOGBRZDUIJGQ-UHFFFAOYSA-N 2 0 253.350 -0.586 20 0 CBADRP CN(CC(=O)N1Cc2ccccc2C[C@H]1C[NH3+])C(N)=[NH2+] ZINC001144149027 814773704 /nfs/dbraw/zinc/77/37/04/814773704.db2.gz BILCRTDXWWGYDY-LBPRGKRZSA-N 2 0 275.356 -0.276 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146384357 814837888 /nfs/dbraw/zinc/83/78/88/814837888.db2.gz OPXKELKCJBTDFV-GFCCVEGCSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001146595285 814841521 /nfs/dbraw/zinc/84/15/21/814841521.db2.gz YFEWQFUSQVUCRO-WDEREUQCSA-N 2 0 272.393 -0.315 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001146711143 814843879 /nfs/dbraw/zinc/84/38/79/814843879.db2.gz PISQHVDZINEDKO-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CCn1cccn1 ZINC001146704716 814844003 /nfs/dbraw/zinc/84/40/03/814844003.db2.gz HKTXSRXRBHLBKR-UHFFFAOYSA-N 2 0 267.377 -0.069 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001146736777 814845471 /nfs/dbraw/zinc/84/54/71/814845471.db2.gz NKSWHQLAPOJCEB-UHFFFAOYSA-N 2 0 298.387 -0.817 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC(C)C ZINC001146719942 814845850 /nfs/dbraw/zinc/84/58/50/814845850.db2.gz XPGOIHLNRMAGJL-UHFFFAOYSA-N 2 0 272.393 -0.441 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ncnn1C ZINC001147001797 814865814 /nfs/dbraw/zinc/86/58/14/814865814.db2.gz QQIXWNQRMSAWFH-UHFFFAOYSA-N 2 0 267.337 -0.507 20 0 CBADRP C[NH+](C)[C@@](C)(C(=O)NCC[NH2+]CC(N)=O)c1ccccc1 ZINC001147409770 814891944 /nfs/dbraw/zinc/89/19/44/814891944.db2.gz HTHJLKTWYXUDGO-OAHLLOKOSA-N 2 0 292.383 -0.346 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147826599 814917434 /nfs/dbraw/zinc/91/74/34/814917434.db2.gz YPIKQJIMJUSOOQ-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[NH2+]CCO)C1 ZINC001147834775 814917818 /nfs/dbraw/zinc/91/78/18/814917818.db2.gz MJGVSTYQXLQNEF-VXGBXAGGSA-N 2 0 257.378 -0.195 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147826598 814917949 /nfs/dbraw/zinc/91/79/49/814917949.db2.gz YPIKQJIMJUSOOQ-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP Cc1nocc1C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147842422 814919256 /nfs/dbraw/zinc/91/92/56/814919256.db2.gz WYMWFJHLJVARFQ-UHFFFAOYSA-N 2 0 284.360 -0.233 20 0 CBADRP CN(C(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001147876970 814920925 /nfs/dbraw/zinc/92/09/25/814920925.db2.gz ATENGUVQCPFBKT-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001147877637 814921962 /nfs/dbraw/zinc/92/19/62/814921962.db2.gz NDRKEJYUWBWVHS-ZDUSSCGKSA-N 2 0 296.415 -0.344 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147878137 814922087 /nfs/dbraw/zinc/92/20/87/814922087.db2.gz TYFDRJYMQPAIHZ-LLVKDONJSA-N 2 0 280.376 -0.637 20 0 CBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CCOCC1CC1 ZINC001147892487 814924069 /nfs/dbraw/zinc/92/40/69/814924069.db2.gz ITBOXUUELHGDAK-UHFFFAOYSA-N 2 0 287.404 -0.303 20 0 CBADRP Cn1cc(C[NH2+]CCCNC(=O)[C@@H](C2CC2)[NH+](C)C)nn1 ZINC001159914489 815604263 /nfs/dbraw/zinc/60/42/63/815604263.db2.gz CKFREYOJPGSKHI-CYBMUJFWSA-N 2 0 294.403 -0.249 20 0 CBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001160428282 815620736 /nfs/dbraw/zinc/62/07/36/815620736.db2.gz YQBMMUGESPHMFX-ZDUSSCGKSA-N 2 0 296.419 -0.003 20 0 CBADRP COCCN(C(=O)[C@H]1[NH2+]CC[C@H]1O)C1CC[NH+](C)CC1 ZINC001160439823 815622583 /nfs/dbraw/zinc/62/25/83/815622583.db2.gz NTBUALFONPEXCQ-OLZOCXBDSA-N 2 0 285.388 -0.722 20 0 CBADRP COCCN(C(=O)C1(N)CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC001160439063 815622741 /nfs/dbraw/zinc/62/27/41/815622741.db2.gz GRFHINYUTNNGCS-UHFFFAOYSA-N 2 0 298.431 -0.364 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001160454476 815623669 /nfs/dbraw/zinc/62/36/69/815623669.db2.gz OBAYFYNMEAFDOU-GFCCVEGCSA-N 3 0 256.394 -0.147 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001160453973 815623918 /nfs/dbraw/zinc/62/39/18/815623918.db2.gz IKAPHNVUFJBVHL-AWEZNQCLSA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160459972 815625024 /nfs/dbraw/zinc/62/50/24/815625024.db2.gz USTZFGGAENARQA-AWEZNQCLSA-N 3 0 297.447 -0.805 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCC2(C1)OCCO2)C1CC[NH2+]CC1 ZINC001160471266 815626729 /nfs/dbraw/zinc/62/67/29/815626729.db2.gz TZKHHZRDTKTBPB-LLVKDONJSA-N 2 0 269.345 -0.711 20 0 CBADRP CC1(C)C(=O)NCCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001160478106 815627729 /nfs/dbraw/zinc/62/77/29/815627729.db2.gz LWGWUBQTWTZJEG-JTQLQIEISA-N 2 0 268.361 -0.950 20 0 CBADRP [NH3+]C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001160511371 815631456 /nfs/dbraw/zinc/63/14/56/815631456.db2.gz NXSXLKAAXWKFEV-ZWNOBZJWSA-N 3 0 252.362 -0.865 20 0 CBADRP COC(=O)[C@H]1C[C@@H](C(=O)N2CCC([NH3+])CC2)CCN1 ZINC001160513274 815632529 /nfs/dbraw/zinc/63/25/29/815632529.db2.gz ARSHTTHJQMLXBF-GXSJLCMTSA-N 2 0 269.345 -0.523 20 0 CBADRP CN(CC(=O)N1CCC([NH3+])CC1)[C@H]1CCC[NH2+]C1 ZINC001160514139 815632686 /nfs/dbraw/zinc/63/26/86/815632686.db2.gz OZEAHKUPKLIOJE-LBPRGKRZSA-N 2 0 254.378 -0.380 20 0 CBADRP [NH3+]C1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160511891 815633053 /nfs/dbraw/zinc/63/30/53/815633053.db2.gz XPKZEXHKPNLLIJ-LBPRGKRZSA-N 2 0 266.389 -0.190 20 0 CBADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)C1(N)CC[NH2+]CC1 ZINC001160539318 815633647 /nfs/dbraw/zinc/63/36/47/815633647.db2.gz PUTZIJRMTBDRMO-JTQLQIEISA-N 2 0 290.371 -0.492 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001160536842 815633972 /nfs/dbraw/zinc/63/39/72/815633972.db2.gz AYRUKFAORLRPFV-CYBMUJFWSA-N 3 0 280.416 -0.262 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@H]2C[NH2+]C[C@@H]2N)CC1 ZINC001160538386 815634723 /nfs/dbraw/zinc/63/47/23/815634723.db2.gz WZOVAIZUHQDEOV-RYUDHWBXSA-N 2 0 254.378 -0.524 20 0 CBADRP [NH3+][C@H](C(=O)N1CCCC12COC2)C1CC[NH2+]CC1 ZINC001160542079 815635146 /nfs/dbraw/zinc/63/51/46/815635146.db2.gz NOYLFMVSCWHGRD-NSHDSACASA-N 2 0 253.346 -0.295 20 0 CBADRP CN(C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C1COC1 ZINC001160541440 815635680 /nfs/dbraw/zinc/63/56/80/815635680.db2.gz BZQGXCGAQLQRGF-LLVKDONJSA-N 2 0 253.346 -0.282 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C(N)=O)C1 ZINC001160549625 815636733 /nfs/dbraw/zinc/63/67/33/815636733.db2.gz SIZDXPCIBHLKRE-NEPJUHHUSA-N 2 0 284.404 -0.184 20 0 CBADRP Cn1cc2c(n1)CCN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C2 ZINC001160558324 815637571 /nfs/dbraw/zinc/63/75/71/815637571.db2.gz MVGBMSANGBEMIJ-IUODEOHRSA-N 2 0 289.383 -0.496 20 0 CBADRP Cn1ncc2c1CN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001160564039 815638349 /nfs/dbraw/zinc/63/83/49/815638349.db2.gz CDKKLYAHGGHJIB-GFCCVEGCSA-N 2 0 263.345 -0.411 20 0 CBADRP Cn1ncc2c1CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001160564856 815638415 /nfs/dbraw/zinc/63/84/15/815638415.db2.gz MAJCIDPEICSTAZ-LBPRGKRZSA-N 2 0 292.387 -0.987 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC2(CCC(=O)O2)CC1 ZINC001160575739 815640126 /nfs/dbraw/zinc/64/01/26/815640126.db2.gz GVVWKOXUEMNONZ-JTQLQIEISA-N 2 0 269.345 -0.249 20 0 CBADRP CC(C)(C)[NH+]1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001160577558 815640265 /nfs/dbraw/zinc/64/02/65/815640265.db2.gz MRJOWPXPHPXCSF-GFCCVEGCSA-N 3 0 280.416 -0.262 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCC[C@@H](CCO)C1)C1CC[NH2+]CC1 ZINC001160612483 815644823 /nfs/dbraw/zinc/64/48/23/815644823.db2.gz ZRDOMRMCXSBLBM-WCQYABFASA-N 2 0 269.389 -0.066 20 0 CBADRP O=C(N1CCN(CCF)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160629944 815646526 /nfs/dbraw/zinc/64/65/26/815646526.db2.gz VRAIDCIKCSQUIH-TZMCWYRMSA-N 2 0 284.379 -0.701 20 0 CBADRP [NH3+]CC1CCC(C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC001160643357 815650127 /nfs/dbraw/zinc/65/01/27/815650127.db2.gz FLXUPIGRISPXSR-MCIGGMRASA-N 2 0 255.362 -0.062 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2CO[C@]3(C2)CCC[NH2+]CC3)CCO1 ZINC001160644124 815650378 /nfs/dbraw/zinc/65/03/78/815650378.db2.gz STHJCKYTYRHNAU-VNHYZAJKSA-N 2 0 297.399 -0.279 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CCO1 ZINC001160644111 815650872 /nfs/dbraw/zinc/65/08/72/815650872.db2.gz SPBJUTRQFJFBLT-MCIONIFRSA-N 2 0 296.415 -0.754 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2F)CCO1 ZINC001160643466 815650959 /nfs/dbraw/zinc/65/09/59/815650959.db2.gz IKXUKDZASQBOLL-WCQYABFASA-N 2 0 281.331 -0.118 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)CCO1 ZINC001160644110 815651045 /nfs/dbraw/zinc/65/10/45/815651045.db2.gz SPBJUTRQFJFBLT-IHRRRGAJSA-N 2 0 296.415 -0.754 20 0 CBADRP C[NH+](C)C1(C)CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001160644268 815651055 /nfs/dbraw/zinc/65/10/55/815651055.db2.gz BBUBBWIVRKOHGS-VIFPVBQESA-N 3 0 260.407 -0.832 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160650470 815652025 /nfs/dbraw/zinc/65/20/25/815652025.db2.gz XAHXPXAQHANIDL-DTWKUNHWSA-N 2 0 259.329 -0.463 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160655968 815652902 /nfs/dbraw/zinc/65/29/02/815652902.db2.gz SHYNLUIBCSOLPE-FRRDWIJNSA-N 3 0 286.420 -0.598 20 0 CBADRP C[C@@H]1C[C@H](O)CCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160654835 815653414 /nfs/dbraw/zinc/65/34/14/815653414.db2.gz CPUBBPPPHORVBS-MXWKQRLJSA-N 2 0 253.346 -0.833 20 0 CBADRP CC1(C)CN(C2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C2)CCO1 ZINC001160663205 815654350 /nfs/dbraw/zinc/65/43/50/815654350.db2.gz JPRIQHDVISAEBT-LBPRGKRZSA-N 2 0 284.404 -0.626 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC001160670382 815655413 /nfs/dbraw/zinc/65/54/13/815655413.db2.gz YMHBIQNZQGTXJM-STQMWFEESA-N 2 0 297.399 -0.578 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001160687827 815657357 /nfs/dbraw/zinc/65/73/57/815657357.db2.gz JFWBEUAHRBOTFD-AWEZNQCLSA-N 2 0 297.447 -0.709 20 0 CBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001160694359 815658336 /nfs/dbraw/zinc/65/83/36/815658336.db2.gz ABUMKICHHGKSRC-FHGNATFXSA-N 2 0 275.418 -0.460 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)CNC1CC[NH2+]CC1 ZINC001160696065 815658910 /nfs/dbraw/zinc/65/89/10/815658910.db2.gz UBTTWYQZZVBWCZ-GFCCVEGCSA-N 2 0 268.405 -0.214 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)CN1CC[NH2+]CC1 ZINC001160696558 815659303 /nfs/dbraw/zinc/65/93/03/815659303.db2.gz WXDLMZZOICHRGU-GFCCVEGCSA-N 2 0 254.378 -0.650 20 0 CBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001160696569 815659354 /nfs/dbraw/zinc/65/93/54/815659354.db2.gz WZIDIJHENOAQEH-AAEUAGOBSA-N 2 0 254.378 -0.475 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)C3(N)CC[NH2+]CC3)C[C@H]2C1 ZINC001160705184 815661885 /nfs/dbraw/zinc/66/18/85/815661885.db2.gz UMARGIZRCOOASW-PHIMTYICSA-N 2 0 252.362 -0.913 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC(n2cnnc2)CC1 ZINC001160722331 815663348 /nfs/dbraw/zinc/66/33/48/815663348.db2.gz NSSRQIDVDUFXLC-NSHDSACASA-N 2 0 298.416 -0.539 20 0 CBADRP N[C@@]1(C(=O)N2CC[NH+]3CCC2CC3)CCC[NH2+]C1 ZINC001160726206 815664549 /nfs/dbraw/zinc/66/45/49/815664549.db2.gz LKABWDPEOATIHV-ZDUSSCGKSA-N 2 0 252.362 -0.626 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+]2CCC1CC2 ZINC001160725631 815665488 /nfs/dbraw/zinc/66/54/88/815665488.db2.gz DWDHJHZFGZOMAT-FZMZJTMJSA-N 2 0 296.415 -0.217 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCc2ccc(=O)[nH]c2CC1 ZINC001160756006 815667047 /nfs/dbraw/zinc/66/70/47/815667047.db2.gz YMCGCKKDPMIPQI-LLVKDONJSA-N 2 0 278.356 -0.219 20 0 CBADRP C[NH2+]CCC(=O)N1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001160794923 815673405 /nfs/dbraw/zinc/67/34/05/815673405.db2.gz RQGOOAGGAOPZMK-ZAZJYDDPSA-N 2 0 295.383 -0.547 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCn2nncc2C1 ZINC001160832231 815674877 /nfs/dbraw/zinc/67/48/77/815674877.db2.gz IJTGPNRSCNCRCJ-LBPRGKRZSA-N 2 0 280.376 -0.321 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001160839701 815675967 /nfs/dbraw/zinc/67/59/67/815675967.db2.gz RKSVDGKDGYHWRD-QJPTWQEYSA-N 2 0 255.362 -0.097 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001160839697 815676027 /nfs/dbraw/zinc/67/60/27/815676027.db2.gz RKSVDGKDGYHWRD-IJLUTSLNSA-N 2 0 255.362 -0.097 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC001160839381 815676264 /nfs/dbraw/zinc/67/62/64/815676264.db2.gz PHKYGMZSCDVFEQ-AAEUAGOBSA-N 2 0 255.362 -0.225 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001160840666 815677178 /nfs/dbraw/zinc/67/71/78/815677178.db2.gz YWYGILAQZRPAHH-HHTDUIENSA-N 2 0 299.415 -0.346 20 0 CBADRP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160866318 815682331 /nfs/dbraw/zinc/68/23/31/815682331.db2.gz AOUJFUXOCIAPMU-NEPJUHHUSA-N 2 0 282.388 -0.416 20 0 CBADRP NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160866324 815682872 /nfs/dbraw/zinc/68/28/72/815682872.db2.gz AOUJFUXOCIAPMU-VXGBXAGGSA-N 2 0 282.388 -0.416 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC)[NH+](C)C ZINC001160882870 815683837 /nfs/dbraw/zinc/68/38/37/815683837.db2.gz AFYVVGWCKACEHS-SNVBAGLBSA-N 2 0 258.366 -0.832 20 0 CBADRP CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C[C@@H]21 ZINC001160877945 815684517 /nfs/dbraw/zinc/68/45/17/815684517.db2.gz HFTDDPOHZUQCHT-WHOHXGKFSA-N 2 0 293.367 -0.937 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001160883697 815685172 /nfs/dbraw/zinc/68/51/72/815685172.db2.gz UOSUHBZMNHMHED-GFCCVEGCSA-N 2 0 282.392 -0.249 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N(CCO)CC(F)(F)F ZINC001160909277 815686993 /nfs/dbraw/zinc/68/69/93/815686993.db2.gz QZZSTYPLAAVEBV-ZETCQYMHSA-N 2 0 257.256 -0.564 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915977 815688115 /nfs/dbraw/zinc/68/81/15/815688115.db2.gz STUHYNPFYHNKGQ-GHMZBOCLSA-N 2 0 261.329 -0.091 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@H]([NH3+])Cc1cnc[nH]1)C2 ZINC001160965849 815690969 /nfs/dbraw/zinc/69/09/69/815690969.db2.gz ZCEYFSVDSIJTLY-MPKXVKKWSA-N 2 0 277.372 -0.310 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160967024 815691070 /nfs/dbraw/zinc/69/10/70/815691070.db2.gz IRFYQEUXIYZKSM-SFYZADRCSA-N 3 0 250.293 -0.753 20 0 CBADRP C[NH+]1CCC2(CCN(C(=O)[C@@H](N)C[NH3+])CC2)CC1 ZINC001160993362 815692599 /nfs/dbraw/zinc/69/25/99/815692599.db2.gz PIYFXUZAQUFHOH-NSHDSACASA-N 2 0 254.378 -0.393 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160972660 815693479 /nfs/dbraw/zinc/69/34/79/815693479.db2.gz RNIDGHYCKONSCZ-QQJLPTOTSA-N 2 0 283.344 -0.723 20 0 CBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999292 815693486 /nfs/dbraw/zinc/69/34/86/815693486.db2.gz ANGWBYWRPMIURK-WHOHXGKFSA-N 2 0 265.357 -0.833 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cncn2C)CC[NH2+]1 ZINC001161014798 815693830 /nfs/dbraw/zinc/69/38/30/815693830.db2.gz PDYBLQQMHGKOCJ-KOLCDFICSA-N 2 0 251.334 -0.890 20 0 CBADRP O=C([C@@H]1CC[NH2+]C[C@@H]1F)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161007958 815694198 /nfs/dbraw/zinc/69/41/98/815694198.db2.gz LYJIWKKMWNVCQC-WOPDTQHZSA-N 2 0 285.363 -0.351 20 0 CBADRP O=C([C@@H]1CC[NH2+]C[C@H]1F)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161007698 815694250 /nfs/dbraw/zinc/69/42/50/815694250.db2.gz LYJIWKKMWNVCQC-IJLUTSLNSA-N 2 0 285.363 -0.351 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999867 815694528 /nfs/dbraw/zinc/69/45/28/815694528.db2.gz MOFOFAVPTOHSDE-UTUOFQBUSA-N 2 0 267.373 -0.171 20 0 CBADRP CC(C)OC1CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161010191 815694763 /nfs/dbraw/zinc/69/47/63/815694763.db2.gz NNOQAZHNHNXUMU-GFCCVEGCSA-N 2 0 255.362 -0.051 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC001161019547 815697866 /nfs/dbraw/zinc/69/78/66/815697866.db2.gz FILZVZNGMSMNHS-PWSUYJOCSA-N 2 0 270.377 -0.560 20 0 CBADRP NC(=S)C1CCN(C(=O)C[NH2+]CCC[NH3+])CC1 ZINC001161031437 815699502 /nfs/dbraw/zinc/69/95/02/815699502.db2.gz FKZGKNWNBKWXIG-UHFFFAOYSA-N 2 0 258.391 -0.551 20 0 CBADRP NC(=S)C1CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001161031207 815700261 /nfs/dbraw/zinc/70/02/61/815700261.db2.gz WODJEQPPLZHXTR-JTQLQIEISA-N 2 0 272.418 -0.033 20 0 CBADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC001161049628 815702792 /nfs/dbraw/zinc/70/27/92/815702792.db2.gz GTBUHJSCIYZROD-ZDUSSCGKSA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C)C(N)=O ZINC001161043021 815703775 /nfs/dbraw/zinc/70/37/75/815703775.db2.gz WNSUJQHGUBNBMR-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@]2(N)CC[NH2+]C2)C1 ZINC001161050056 815704010 /nfs/dbraw/zinc/70/40/10/815704010.db2.gz KIONQWBNVPHWEZ-WCQYABFASA-N 2 0 254.378 -0.382 20 0 CBADRP CN(C(=O)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@H]1CCCC[C@H]1[NH3+] ZINC001161057839 815705142 /nfs/dbraw/zinc/70/51/42/815705142.db2.gz HQUHWJPCRQMXRO-RXGFPQBGSA-N 2 0 267.373 -0.051 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCn1cncn1 ZINC001161052429 815705320 /nfs/dbraw/zinc/70/53/20/815705320.db2.gz KKHBLKFSICACNW-CYBMUJFWSA-N 2 0 294.403 -0.142 20 0 CBADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001161050389 815705878 /nfs/dbraw/zinc/70/58/78/815705878.db2.gz MPPAZXNWTHQBDG-QWHCGFSZSA-N 2 0 296.415 -0.742 20 0 CBADRP CN(C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161060772 815705977 /nfs/dbraw/zinc/70/59/77/815705977.db2.gz CWZFKWWWWWWIPJ-KSFQGOMNSA-N 2 0 266.389 -0.064 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N(C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161058243 815706120 /nfs/dbraw/zinc/70/61/20/815706120.db2.gz QJBVKARJWYASIM-OUAUKWLOSA-N 2 0 257.334 -0.395 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])[C@H]1CCCC[C@H]1[NH3+] ZINC001161062510 815706273 /nfs/dbraw/zinc/70/62/73/815706273.db2.gz KPOUEDIPFZIMDJ-VWYCJHECSA-N 3 0 274.434 -0.266 20 0 CBADRP CN(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)C1(C)CC[NH2+]CC1 ZINC001161067153 815707009 /nfs/dbraw/zinc/70/70/09/815707009.db2.gz FYHWADKSAGIVSO-SDDRHHMPSA-N 2 0 266.389 -0.463 20 0 CBADRP CN(Cc1cncs1)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161063165 815707224 /nfs/dbraw/zinc/70/72/24/815707224.db2.gz BTNROZXCCVFFIP-LBPRGKRZSA-N 2 0 297.428 -0.148 20 0 CBADRP CCOC(=O)C1(C(=O)N(C)[C@@H]2CCCC[C@@H]2[NH3+])C[NH2+]C1 ZINC001161064507 815707483 /nfs/dbraw/zinc/70/74/83/815707483.db2.gz QFJUBOCVLKXQEG-WDEREUQCSA-N 2 0 283.372 -0.133 20 0 CBADRP CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C1(C)CC[NH2+]CC1 ZINC001161067185 815707777 /nfs/dbraw/zinc/70/77/77/815707777.db2.gz GHSIUXQVBLDEHQ-SNVBAGLBSA-N 2 0 285.392 -0.637 20 0 CBADRP CN(C(=O)C[C@@H]1COCC[NH2+]1)C1(C)CC[NH2+]CC1 ZINC001161073682 815707875 /nfs/dbraw/zinc/70/78/75/815707875.db2.gz QQQBRSIMMNJPEQ-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@]34CC[C@@H](N3)[C@H]([NH3+])C4)C[C@@H]21 ZINC001161081017 815709273 /nfs/dbraw/zinc/70/92/73/815709273.db2.gz CEFSPSSNKWBEOE-PFFFPCNUSA-N 2 0 278.400 -0.239 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CCN4)C[C@H]21 ZINC001161081445 815709441 /nfs/dbraw/zinc/70/94/41/815709441.db2.gz KHXZYZJDSHXFKM-COMQUAJESA-N 2 0 278.400 -0.510 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@]3(N)CC[NH2+]C3)C[C@@H]21 ZINC001161080981 815709457 /nfs/dbraw/zinc/70/94/57/815709457.db2.gz AQCWLWTVBRHWDR-MDZLAQPJSA-N 2 0 252.362 -0.770 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@]34CC[C@@H](N3)[C@H]([NH3+])C4)C[C@H]21 ZINC001161081014 815709687 /nfs/dbraw/zinc/70/96/87/815709687.db2.gz CEFSPSSNKWBEOE-BGPZULBFSA-N 2 0 278.400 -0.239 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)C[C@@H]21 ZINC001161081089 815709910 /nfs/dbraw/zinc/70/99/10/815709910.db2.gz DOKHGLARICGYSR-WYUUTHIRSA-N 2 0 252.362 -0.772 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@]3(N)CC[NH2+]C3)C[C@H]21 ZINC001161080982 815710152 /nfs/dbraw/zinc/71/01/52/815710152.db2.gz AQCWLWTVBRHWDR-NQBHXWOUSA-N 2 0 252.362 -0.770 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)C[C@H]21 ZINC001161081635 815710336 /nfs/dbraw/zinc/71/03/36/815710336.db2.gz LDKYGKXGRXBHBC-MGPQQGTHSA-N 3 0 280.416 -0.134 20 0 CBADRP [NH3+]CCN(CCNc1ncnc2c1CC[NH2+]C2)N(O)N=O ZINC001161086800 815710838 /nfs/dbraw/zinc/71/08/38/815710838.db2.gz BOJJZSIHMGJOKR-UHFFFAOYSA-N 2 0 296.335 -0.918 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCN3)C[C@H]21 ZINC001161082916 815710889 /nfs/dbraw/zinc/71/08/89/815710889.db2.gz QPUSVXYMHWUMBZ-GRYCIOLGSA-N 2 0 252.362 -0.900 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@@H]21 ZINC001161081879 815711279 /nfs/dbraw/zinc/71/12/79/815711279.db2.gz MHOPJWZWXQOMBP-KKOKHZNYSA-N 2 0 253.346 -0.738 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C[C@@H]21 ZINC001161082410 815712074 /nfs/dbraw/zinc/71/20/74/815712074.db2.gz ORGMIPDSCRQSOY-TUAOUCFPSA-N 2 0 297.403 -0.685 20 0 CBADRP Nc1cc[nH+]c(NCCN(CC[NH3+])N(O)N=O)c1 ZINC001161088233 815713215 /nfs/dbraw/zinc/71/32/15/815713215.db2.gz XFSZEBXNMGRNDM-UHFFFAOYSA-N 2 0 255.282 -0.376 20 0 CBADRP CC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161132328 815719254 /nfs/dbraw/zinc/71/92/54/815719254.db2.gz YELDNTSVEGYUER-OLZOCXBDSA-N 2 0 294.399 -0.735 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1CC2(CC2)C[NH2+]1 ZINC001161158287 815722878 /nfs/dbraw/zinc/72/28/78/815722878.db2.gz SVSXQGDKWDOSNY-NSHDSACASA-N 2 0 283.372 -0.131 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]([NH3+])CC(F)F ZINC001161157558 815723371 /nfs/dbraw/zinc/72/33/71/815723371.db2.gz FXLVBKHYHIRNET-QMMMGPOBSA-N 2 0 281.303 -0.291 20 0 CBADRP CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[NH2+]CCN3)C[C@@H]2C1 ZINC001161176017 815724221 /nfs/dbraw/zinc/72/42/21/815724221.db2.gz QULZIFOLUOLTAQ-AVGNSLFASA-N 2 0 266.389 -0.652 20 0 CBADRP CCC[NH+]1C[C@H]2CN(C(=O)[C@@H](N)CC[NH3+])C[C@@H]2C1 ZINC001161175272 815724932 /nfs/dbraw/zinc/72/49/32/815724932.db2.gz KCTATCUEGIZCBE-SRVKXCTJSA-N 2 0 254.378 -0.537 20 0 CBADRP CC(C)(O)CC[NH+]1CCN(C(=O)C[C@@H](O)C[NH3+])CC1 ZINC001161175599 815725028 /nfs/dbraw/zinc/72/50/28/815725028.db2.gz MONFICPBSLEQJB-LLVKDONJSA-N 2 0 273.377 -0.999 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3[NH2+]CC[C@H]3O)C[C@H]2C1 ZINC001161176382 815725979 /nfs/dbraw/zinc/72/59/79/815725979.db2.gz TZUHTJQEJDBNCX-LPWJVIDDSA-N 2 0 267.373 -0.491 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)C[C@H](O)C[NH3+])C[C@H]2C1 ZINC001161176450 815726275 /nfs/dbraw/zinc/72/62/75/815726275.db2.gz UYZRSGSQYFWKCE-UTUOFQBUSA-N 2 0 255.362 -0.504 20 0 CBADRP O=C([C@H]1[NH2+]CC[C@H]1O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161210073 815727973 /nfs/dbraw/zinc/72/79/73/815727973.db2.gz KUZMZDQUFNSRMC-KGLIPLIRSA-N 2 0 281.400 -0.053 20 0 CBADRP CN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161217160 815728731 /nfs/dbraw/zinc/72/87/31/815728731.db2.gz BALNWYNAMPGVGY-SRRSOLGSSA-N 2 0 280.372 -0.998 20 0 CBADRP CN(C(=O)[C@H]([NH3+])CCC[NH3+])[C@H]1CCC2(C1)OCCO2 ZINC001161219371 815728816 /nfs/dbraw/zinc/72/88/16/815728816.db2.gz PMBOTIBYJXVRBV-WDEREUQCSA-N 2 0 271.361 -0.193 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161220835 815728843 /nfs/dbraw/zinc/72/88/43/815728843.db2.gz GXKQWDRTOFIBDU-VKISENBKSA-N 2 0 282.388 -0.848 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)[C@@H](C)CO1 ZINC001161234611 815729905 /nfs/dbraw/zinc/72/99/05/815729905.db2.gz FCURTKNKJLBJGZ-HOSYDEDBSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@H]1CN(C(=O)[C@H]([NH3+])Cc2cnc[nH]2)C[C@H](C)[NH2+]1 ZINC001161228234 815730134 /nfs/dbraw/zinc/73/01/34/815730134.db2.gz WGIJENFUSXJOSF-ATZCPNFKSA-N 2 0 251.334 -0.512 20 0 CBADRP C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C[C@H](C)[NH2+]1 ZINC001161228235 815730203 /nfs/dbraw/zinc/73/02/03/815730203.db2.gz WGIJENFUSXJOSF-QXEWZRGKSA-N 2 0 251.334 -0.512 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161222154 815730263 /nfs/dbraw/zinc/73/02/63/815730263.db2.gz WMKCJXBYZDDRLC-QNWHQSFQSA-N 2 0 282.388 -0.704 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@@H](n2ccnn2)C1 ZINC001161234320 815730638 /nfs/dbraw/zinc/73/06/38/815730638.db2.gz AMOXGGXWEKMQKA-VXGBXAGGSA-N 2 0 290.371 -0.749 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001161251326 815733412 /nfs/dbraw/zinc/73/34/12/815733412.db2.gz OMDIZUOFSHRDGC-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161270278 815735197 /nfs/dbraw/zinc/73/51/97/815735197.db2.gz LDMQCQAZENIMSL-NEPJUHHUSA-N 2 0 270.377 -0.430 20 0 CBADRP CNC(=O)NC1CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001161269219 815735597 /nfs/dbraw/zinc/73/55/97/815735597.db2.gz UFKGHIWVPPALFC-NSHDSACASA-N 2 0 299.419 -0.247 20 0 CBADRP CN(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001161289323 815736952 /nfs/dbraw/zinc/73/69/52/815736952.db2.gz QCCXYZMMZJNWQY-MNOVXSKESA-N 2 0 285.392 -0.685 20 0 CBADRP CCN(C(=O)[C@H]([NH3+])Cc1cnc[nH]1)[C@H]1CCC[NH2+]C1 ZINC001161329187 815741820 /nfs/dbraw/zinc/74/18/20/815741820.db2.gz WHCTXJHKBMLQBN-NWDGAFQWSA-N 2 0 265.361 -0.120 20 0 CBADRP CCN(C(=O)[C@H]([NH3+])CCC(=O)OC)[C@H]1CCC[NH2+]C1 ZINC001161332423 815742718 /nfs/dbraw/zinc/74/27/18/815742718.db2.gz MYLWTJCQQRCDTG-WDEREUQCSA-N 2 0 271.361 -0.133 20 0 CBADRP CCN(C(=O)[C@]1(C)CC[NH2+]C[C@@H]1O)[C@@H]1CCC[NH2+]C1 ZINC001161332429 815743073 /nfs/dbraw/zinc/74/30/73/815743073.db2.gz MZOFTHLQRCRVJM-MBNYWOFBSA-N 2 0 269.389 -0.053 20 0 CBADRP CC(C)N(C(=O)[C@H]([NH3+])Cc1cnc[nH]1)[C@H]1CC[NH2+]C1 ZINC001161350662 815745701 /nfs/dbraw/zinc/74/57/01/815745701.db2.gz AUCHTDFVHAQJMH-NWDGAFQWSA-N 2 0 265.361 -0.122 20 0 CBADRP CC(C)N(C(=O)[C@]1(N)CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC001161353126 815745736 /nfs/dbraw/zinc/74/57/36/815745736.db2.gz MGCMCXXWQGJJPO-AAEUAGOBSA-N 2 0 254.378 -0.334 20 0 CBADRP CC(C)N(C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)[C@H]1CC[NH2+]C1 ZINC001161352115 815746274 /nfs/dbraw/zinc/74/62/74/815746274.db2.gz RNDRHRSDTPPUTD-VNHYZAJKSA-N 3 0 280.416 -0.216 20 0 CBADRP CC(C)N(C(=O)[C@@]1(N)CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC001161353127 815746283 /nfs/dbraw/zinc/74/62/83/815746283.db2.gz MGCMCXXWQGJJPO-WCQYABFASA-N 2 0 254.378 -0.334 20 0 CBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N(C(C)C)[C@H]1CC[NH2+]C1 ZINC001161353578 815746392 /nfs/dbraw/zinc/74/63/92/815746392.db2.gz UCXVZFDOQYBEHD-RWMBFGLXSA-N 2 0 283.372 -0.264 20 0 CBADRP CC(C)N(C(=O)C[C@@H]1COCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC001161353367 815746413 /nfs/dbraw/zinc/74/64/13/815746413.db2.gz OVJXMCMDTHLFLH-NEPJUHHUSA-N 2 0 255.362 -0.036 20 0 CBADRP COC(=O)[C@]1(C)COCCN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001161371134 815747631 /nfs/dbraw/zinc/74/76/31/815747631.db2.gz AYMIJDUQWPLCGV-RISCZKNCSA-N 2 0 299.371 -0.896 20 0 CBADRP [NH3+]CCNCC(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001161385669 815748525 /nfs/dbraw/zinc/74/85/25/815748525.db2.gz ADECAKLBGHYJGH-UHFFFAOYSA-N 2 0 295.362 -0.146 20 0 CBADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[NH2+]3)C2)CC1 ZINC001161381356 815748894 /nfs/dbraw/zinc/74/88/94/815748894.db2.gz XWEUYMUZGHRRDQ-NEPJUHHUSA-N 2 0 252.362 -0.628 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161390379 815749840 /nfs/dbraw/zinc/74/98/40/815749840.db2.gz XQRKOUWYIBLLHV-NWDGAFQWSA-N 2 0 255.362 -0.096 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161388833 815750432 /nfs/dbraw/zinc/75/04/32/815750432.db2.gz KVNFAKGBEXICAU-UONOGXRCSA-N 2 0 297.399 -0.312 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412043 815750996 /nfs/dbraw/zinc/75/09/96/815750996.db2.gz FKLXWOSKLZKZHL-JTLRNRKASA-N 2 0 263.345 -0.525 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412042 815752148 /nfs/dbraw/zinc/75/21/48/815752148.db2.gz FKLXWOSKLZKZHL-IXLVHKGHSA-N 2 0 263.345 -0.525 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C[C@H]12 ZINC001161414470 815752658 /nfs/dbraw/zinc/75/26/58/815752658.db2.gz XEYBHXQMMUROGU-ZHZXCYKASA-N 3 0 278.400 -0.619 20 0 CBADRP N=c1ncc(C[NH3+])cn1-c1ncc2c(n1)CC[NH2+]C2 ZINC001161415074 815753370 /nfs/dbraw/zinc/75/33/70/815753370.db2.gz NJDKWQDEKHBGPZ-UHFFFAOYSA-N 2 0 257.301 -0.754 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC(=O)NC2(CCCC2)C1 ZINC001161416800 815753649 /nfs/dbraw/zinc/75/36/49/815753649.db2.gz KPUGNHHLJBGBBE-SNVBAGLBSA-N 2 0 268.361 -0.676 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161421684 815754252 /nfs/dbraw/zinc/75/42/52/815754252.db2.gz UBUJIGYXBRTDEF-OLZOCXBDSA-N 3 0 268.405 -0.038 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161424132 815754395 /nfs/dbraw/zinc/75/43/95/815754395.db2.gz ZHECVDQAIBQYDK-AVGNSLFASA-N 2 0 296.415 -0.219 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161421307 815754602 /nfs/dbraw/zinc/75/46/02/815754602.db2.gz QMCQETWDHPCAOV-NEPJUHHUSA-N 3 0 254.378 -0.380 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161423770 815754716 /nfs/dbraw/zinc/75/47/16/815754716.db2.gz MTTBRWPHXOUQSD-RYUDHWBXSA-N 3 0 254.378 -0.251 20 0 CBADRP O=C(N1CC[N@@H+]2CC[C@@H]2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161421223 815754810 /nfs/dbraw/zinc/75/48/10/815754810.db2.gz OZDPCQKNLNGUAF-YRGRVCCFSA-N 3 0 264.373 -0.898 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161444725 815755929 /nfs/dbraw/zinc/75/59/29/815755929.db2.gz KQPKGXYQCZHMHI-NWDGAFQWSA-N 3 0 256.394 -0.277 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@H]1[NH2+]C[C@H]2C[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC001161444365 815756065 /nfs/dbraw/zinc/75/60/65/815756065.db2.gz GRRRLWSQBFFYSF-AAVRWANBSA-N 3 0 280.416 -0.264 20 0 CBADRP C[NH+](C)CCN(C(=O)C[C@@H]1COCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161448462 815756174 /nfs/dbraw/zinc/75/61/74/815756174.db2.gz CIBGVKQOSUYEDH-KGLIPLIRSA-N 3 0 298.431 -0.493 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC001161459922 815756907 /nfs/dbraw/zinc/75/69/07/815756907.db2.gz ZUGJNVKIRPYCGI-SRVKXCTJSA-N 2 0 285.388 -0.029 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CCC[C@H]1[NH3+])CC2 ZINC001161479916 815758634 /nfs/dbraw/zinc/75/86/34/815758634.db2.gz QWGHBVJSMSMMCN-BLTAXRJOSA-N 2 0 295.383 -0.133 20 0 CBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)C1CC[NH2+]CC1)CC2 ZINC001161476549 815758643 /nfs/dbraw/zinc/75/86/43/815758643.db2.gz DGTQQJXMCWZQOB-IUODEOHRSA-N 2 0 295.383 -0.260 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1CCCC[NH2+]1)CC2 ZINC001161478115 815758742 /nfs/dbraw/zinc/75/87/42/815758742.db2.gz KSISYPLXZLISBP-HUBLWGQQSA-N 2 0 295.383 -0.118 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@]1(C)CC[NH2+]C1)CC2 ZINC001161479292 815759051 /nfs/dbraw/zinc/75/90/51/815759051.db2.gz JVFFAYKXVKMUIO-CQDKDKBSSA-N 2 0 295.383 -0.260 20 0 CBADRP C[NH2+]CCC(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001161481638 815759084 /nfs/dbraw/zinc/75/90/84/815759084.db2.gz YPOAZBUOXKLVAN-GXFFZTMASA-N 2 0 269.345 -0.651 20 0 CBADRP C[C@]1(C[NH3+])CCCN(C(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC001161487166 815759619 /nfs/dbraw/zinc/75/96/19/815759619.db2.gz DTYIBHDICGLSQC-DGCLKSJQSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001161489212 815759768 /nfs/dbraw/zinc/75/97/68/815759768.db2.gz RIPYOMBHJCBRTA-JQWIXIFHSA-N 3 0 274.434 -0.407 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[C@@H]1[NH3+] ZINC001161492670 815761158 /nfs/dbraw/zinc/76/11/58/815761158.db2.gz UPRAKFMXFMJFPC-QJPTWQEYSA-N 3 0 282.388 -0.955 20 0 CBADRP C[C@@H]1CN(C2CN(C(=O)[C@H]([NH3+])CCC[NH3+])C2)C[C@@H](C)O1 ZINC001161493378 815761981 /nfs/dbraw/zinc/76/19/81/815761981.db2.gz MOTLBPPPUJWPRX-NQBHXWOUSA-N 2 0 284.404 -0.627 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccsc2)C[C@@H]1[NH3+] ZINC001161492632 815762005 /nfs/dbraw/zinc/76/20/05/815762005.db2.gz SIEUSAVZDPKNNG-GARJFASQSA-N 2 0 269.370 -0.198 20 0 CBADRP C[C@H]1CN(C2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2)C[C@H](C)O1 ZINC001161497759 815763169 /nfs/dbraw/zinc/76/31/69/815763169.db2.gz CZZIZAICRYGXCH-OBJOEFQTSA-N 2 0 298.431 -0.237 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161511018 815764452 /nfs/dbraw/zinc/76/44/52/815764452.db2.gz VAXKYBQMEZXHHS-DCAQKATOSA-N 2 0 253.346 -0.439 20 0 CBADRP [NH3+][C@@H](C(=O)N1C[C@@H]([NH3+])C2(COC2)C1)c1ccccc1 ZINC001161501608 815764504 /nfs/dbraw/zinc/76/45/04/815764504.db2.gz ZMRYIWHHGOVSSF-VXGBXAGGSA-N 2 0 261.325 -0.128 20 0 CBADRP CC[C@H](C)[C@@H]([NH2+]C)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161508682 815764889 /nfs/dbraw/zinc/76/48/89/815764889.db2.gz GDSTWMMMQJQQKO-HBNTYKKESA-N 2 0 255.362 -0.193 20 0 CBADRP [NH3+]Cc1ccccc1C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161508151 815764910 /nfs/dbraw/zinc/76/49/10/815764910.db2.gz XUDCXJLVRSECPE-LBPRGKRZSA-N 2 0 261.325 -0.055 20 0 CBADRP CC[C@]1(C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)CCC[NH2+]C1 ZINC001161510877 815764983 /nfs/dbraw/zinc/76/49/83/815764983.db2.gz UHTXPPFCKFJLEJ-YPMHNXCESA-N 2 0 267.373 -0.048 20 0 CBADRP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161509851 815764998 /nfs/dbraw/zinc/76/49/98/815764998.db2.gz LNUJLOCWTJIBQU-GMTAPVOTSA-N 2 0 285.388 -0.297 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161508670 815765138 /nfs/dbraw/zinc/76/51/38/815765138.db2.gz GAHZJHFUAXICAK-WDEREUQCSA-N 2 0 255.362 -0.193 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161511020 815765163 /nfs/dbraw/zinc/76/51/63/815765163.db2.gz VAXKYBQMEZXHHS-HBNTYKKESA-N 2 0 253.346 -0.439 20 0 CBADRP CC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161525875 815766576 /nfs/dbraw/zinc/76/65/76/815766576.db2.gz CLBHLBGETLIRMN-QWRGUYRKSA-N 2 0 251.330 -0.625 20 0 CBADRP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)N2C[C@H]([NH3+])C3(COC3)C2)C1 ZINC001161511397 815766780 /nfs/dbraw/zinc/76/67/80/815766780.db2.gz ZCGQDTKIDAXTOG-WOPDTQHZSA-N 2 0 297.399 -0.282 20 0 CBADRP CO[C@@H]1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)[C@H](C)C1 ZINC001161534027 815768332 /nfs/dbraw/zinc/76/83/32/815768332.db2.gz BZZVGBMHYRMROW-MRVWCRGKSA-N 2 0 298.431 -0.237 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC2(C1)C[NH+](C)C2 ZINC001161532161 815768356 /nfs/dbraw/zinc/76/83/56/815768356.db2.gz OGHFIKUHZVIEKM-NSHDSACASA-N 2 0 282.388 -0.750 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC2(C1)C[NH+](C)C2 ZINC001161531463 815768383 /nfs/dbraw/zinc/76/83/83/815768383.db2.gz FOOPRVNVEQXQIW-NSHDSACASA-N 3 0 254.378 -0.523 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550103 815768999 /nfs/dbraw/zinc/76/89/99/815768999.db2.gz CUWJPVWLZAUSRV-GHMZBOCLSA-N 2 0 281.356 -0.651 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N1CC[NH2+]C2(CC2)C1 ZINC001161548346 815770133 /nfs/dbraw/zinc/77/01/33/815770133.db2.gz QVCDGRLTPFQDEI-UHFFFAOYSA-N 2 0 253.346 -0.281 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550787 815772110 /nfs/dbraw/zinc/77/21/10/815772110.db2.gz QEAWZZSOZPTAIY-HUTHGQBESA-N 2 0 259.375 -0.953 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001161789170 815786318 /nfs/dbraw/zinc/78/63/18/815786318.db2.gz HVCVVOWYMCXUFD-NSHDSACASA-N 2 0 282.388 -0.416 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161788934 815786675 /nfs/dbraw/zinc/78/66/75/815786675.db2.gz BTMXDTGVOMMYIP-CYBMUJFWSA-N 2 0 299.415 -0.282 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])c1ccccc1CC[NH3+] ZINC001162130919 815806607 /nfs/dbraw/zinc/80/66/07/815806607.db2.gz KTMOVQWCICCXJD-UHFFFAOYSA-N 2 0 257.359 -0.088 20 0 CBADRP F[C@@H]1C[NH2+][C@H](CNc2nccc(N3CC[NH2+]CC3)n2)C1 ZINC001162472789 815831497 /nfs/dbraw/zinc/83/14/97/815831497.db2.gz RJQXUNQMYBOYPH-QWRGUYRKSA-N 2 0 280.351 -0.002 20 0 CBADRP [NH3+]Cc1ccnn1-c1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001162593310 815837187 /nfs/dbraw/zinc/83/71/87/815837187.db2.gz GWZBWSJGTOKHPP-NSHDSACASA-N 2 0 260.301 -0.138 20 0 CBADRP O=C(NCCC[NH2+]CCF)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872000 815847394 /nfs/dbraw/zinc/84/73/94/815847394.db2.gz CNPHQNOTCIQEII-MBHSVXNSSA-N 2 0 285.363 -0.085 20 0 CBADRP [NH3+][C@H]1COC[C@H]1Nc1ccc2nc([C@@H]3CC[NH2+]C3)nn2c1 ZINC001162926006 815848539 /nfs/dbraw/zinc/84/85/39/815848539.db2.gz HSKWJXCOJFMRCG-ADEWGFFLSA-N 2 0 288.355 -0.056 20 0 CBADRP COC(=O)[C@@H](Nc1cnc(C[NH3+])nc1)C(C)(C)[NH3+] ZINC001162947338 815849704 /nfs/dbraw/zinc/84/97/04/815849704.db2.gz BSPRFQYDORHPSC-SECBINFHSA-N 2 0 253.306 -0.374 20 0 CBADRP COC(=O)[C@@H](Nc1nccc(C2C[NH2+]C2)n1)C(C)(C)[NH3+] ZINC001162946047 815849931 /nfs/dbraw/zinc/84/99/31/815849931.db2.gz QWDOBCHONHHZND-SNVBAGLBSA-N 2 0 279.344 -0.146 20 0 CBADRP [NH3+][C@H]1COC[C@H]1Nc1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC001162926632 815850284 /nfs/dbraw/zinc/85/02/84/815850284.db2.gz XROVPYDUYHWRMX-UONOGXRCSA-N 2 0 290.367 -0.130 20 0 CBADRP [NH3+]Cc1ncc(NCc2nnc3n2CCC[NH2+]C3)cn1 ZINC001163017519 815852974 /nfs/dbraw/zinc/85/29/74/815852974.db2.gz IRMYUHQSLBIDQZ-UHFFFAOYSA-N 2 0 274.332 -0.368 20 0 CBADRP c1cc(C2C[NH2+]C2)nc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)n1 ZINC001163101238 815860427 /nfs/dbraw/zinc/86/04/27/815860427.db2.gz JWBADIUTMGSPKF-NQBHXWOUSA-N 2 0 275.356 -0.190 20 0 CBADRP c1cnc(N2CC[NH2+]CC2)c(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)n1 ZINC001163137757 815861712 /nfs/dbraw/zinc/86/17/12/815861712.db2.gz SFFVMSYGCWHTSF-IJLUTSLNSA-N 2 0 290.371 -0.715 20 0 CBADRP c1nc2c(c(NC[C@@]34C[NH2+][C@@H](CO3)C4)n1)C[NH2+]CC2 ZINC001163191968 815864024 /nfs/dbraw/zinc/86/40/24/815864024.db2.gz WMWCTPYBXWYJNR-NOZJJQNGSA-N 2 0 261.329 -0.335 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccc3c(n2)C[NH2+]CC3)N1 ZINC001163239993 815870706 /nfs/dbraw/zinc/87/07/06/815870706.db2.gz WWEXIHCGWYDLNV-RISCZKNCSA-N 2 0 273.340 -0.283 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2nccc(C3C[NH2+]C3)n2)N1 ZINC001163240406 815871547 /nfs/dbraw/zinc/87/15/47/815871547.db2.gz JWTIUPVRSRALGP-GXFFZTMASA-N 2 0 274.328 -0.847 20 0 CBADRP COC(=O)Cc1cc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)cc[nH+]1 ZINC001163252092 815874133 /nfs/dbraw/zinc/87/41/33/815874133.db2.gz DVRRSLUHGMEKIE-FZMZJTMJSA-N 2 0 290.323 -0.213 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccc(OC3C[NH2+]C3)cn2)N1 ZINC001163254083 815875170 /nfs/dbraw/zinc/87/51/70/815875170.db2.gz OXQLTYBAAVUSMN-BXUZGUMPSA-N 2 0 289.339 -0.578 20 0 CBADRP CN(CC[NH3+])c1nccc(N2CCC([NH3+])CC2)n1 ZINC001163687955 815895957 /nfs/dbraw/zinc/89/59/57/815895957.db2.gz DWUDBHKZWWHWQV-UHFFFAOYSA-N 2 0 250.350 -0.201 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1CO ZINC001303189121 816761917 /nfs/dbraw/zinc/76/19/17/816761917.db2.gz ITDPBRJXBCYGJX-QWHCGFSZSA-N 2 0 269.389 -0.004 20 0 CBADRP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC(N)=O ZINC001316895292 816899994 /nfs/dbraw/zinc/89/99/94/816899994.db2.gz NCHXIGLRSRUHFQ-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCCO)C2)CC1 ZINC001317086649 816930675 /nfs/dbraw/zinc/93/06/75/816930675.db2.gz JFEAJSXSNYTATR-JOCQHMNTSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@H](O)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001317450798 816982829 /nfs/dbraw/zinc/98/28/29/816982829.db2.gz IMDXKGUETYEZTB-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+]CC(=O)N(C)CC)[NH+](C)C ZINC001317597696 817027004 /nfs/dbraw/zinc/02/70/04/817027004.db2.gz ACPWGLQXXFKDOE-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[NH2+]CCO ZINC001317670163 817043408 /nfs/dbraw/zinc/04/34/08/817043408.db2.gz QRVJUCOKDSVXPG-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C[NH2+]CCO ZINC001319281045 817184406 /nfs/dbraw/zinc/18/44/06/817184406.db2.gz CGYLKEPAZCFVQR-STQMWFEESA-N 2 0 287.404 -0.711 20 0 CBADRP C[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)C[NH2+]CCO ZINC001319281044 817185259 /nfs/dbraw/zinc/18/52/59/817185259.db2.gz CGYLKEPAZCFVQR-QWHCGFSZSA-N 2 0 287.404 -0.711 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CCCO ZINC001319285343 817186540 /nfs/dbraw/zinc/18/65/40/817186540.db2.gz ZELCHOBVVNTJFM-NEPJUHHUSA-N 2 0 257.378 -0.338 20 0 CBADRP CC(C)[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320238711 817301041 /nfs/dbraw/zinc/30/10/41/817301041.db2.gz RQCRBDDRSNWOJU-RYUDHWBXSA-N 2 0 257.378 -0.054 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]CCn1cccn1 ZINC001320312531 817319378 /nfs/dbraw/zinc/31/93/78/817319378.db2.gz HKTGVYNNGNDYPS-CYBMUJFWSA-N 2 0 295.387 -0.954 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC2CCC2)C1 ZINC001320311569 817319496 /nfs/dbraw/zinc/31/94/96/817319496.db2.gz FCWKBMTWJGPLMW-OLZOCXBDSA-N 2 0 269.389 -0.195 20 0 CBADRP CC[NH2+]C[C@H](O)CNC(=O)CCC[NH+]1CCCC1 ZINC001320318549 817322604 /nfs/dbraw/zinc/32/26/04/817322604.db2.gz WQZFNJXTOOSPNC-LBPRGKRZSA-N 2 0 257.378 -0.051 20 0 CBADRP CCN(CC[NH2+]CC(=O)N(C)C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001320839990 817401131 /nfs/dbraw/zinc/40/11/31/817401131.db2.gz HEFDIMAIQATGJA-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP CN1CC[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001320999913 817425223 /nfs/dbraw/zinc/42/52/23/817425223.db2.gz WAWPHQPNJLREKR-GFSGRHGLSA-N 2 0 294.399 -0.427 20 0 CBADRP COCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320998068 817425985 /nfs/dbraw/zinc/42/59/85/817425985.db2.gz MRMJIJANQIIPID-MVZIDQBPSA-N 2 0 255.362 -0.011 20 0 CBADRP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001321109080 817444006 /nfs/dbraw/zinc/44/40/06/817444006.db2.gz UQUCABOFFLIZQF-DANTVBBOSA-N 2 0 298.431 -0.077 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CCN(C=O)CC2)C1 ZINC001321282019 817473004 /nfs/dbraw/zinc/47/30/04/817473004.db2.gz HMCZYXLLWQYRMA-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001321334688 817484361 /nfs/dbraw/zinc/48/43/61/817484361.db2.gz CJQGUWANEGQZOQ-OEFFGFFESA-N 2 0 296.415 -0.275 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC/C=C\C[NH2+]CC(N)=O)C1 ZINC001321334726 817484729 /nfs/dbraw/zinc/48/47/29/817484729.db2.gz DDFCYXQCZKFZBJ-RSNNXLNZSA-N 2 0 296.415 -0.146 20 0 CBADRP CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268320668 827297690 /nfs/dbraw/zinc/29/76/90/827297690.db2.gz PVDSMQHPTSWEHW-SRVKXCTJSA-N 2 0 257.378 -0.197 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCO)CC1 ZINC001163822047 819854455 /nfs/dbraw/zinc/85/44/55/819854455.db2.gz RGLRTJRCRPGRPH-LBPRGKRZSA-N 2 0 269.389 -0.051 20 0 CBADRP [NH3+]CCN(CCO)c1c[nH+]ccc1N1CCOCC1 ZINC001163837128 819859853 /nfs/dbraw/zinc/85/98/53/819859853.db2.gz RHJVHVFJIKEGHB-UHFFFAOYSA-N 2 0 266.345 -0.324 20 0 CBADRP CC(C)(C(=O)NCCC[NH2+]CCO)[NH+]1CCCC1 ZINC001163851385 819860314 /nfs/dbraw/zinc/86/03/14/819860314.db2.gz LPVBFWZGGFPPSC-UHFFFAOYSA-N 2 0 257.378 -0.051 20 0 CBADRP [NH3+][C@@H]1CCN(c2cncc(N3CCC([NH3+])CC3)n2)C1 ZINC001164277593 819896253 /nfs/dbraw/zinc/89/62/53/819896253.db2.gz AJHPKZFXZPNDDW-LLVKDONJSA-N 2 0 262.361 -0.059 20 0 CBADRP CN(c1ccc(N2CC[NH2+]CC2)nc1)S(=O)(=O)CC[NH3+] ZINC001164296148 819903640 /nfs/dbraw/zinc/90/36/40/819903640.db2.gz AUFGPGLWZKVJCH-UHFFFAOYSA-N 2 0 299.400 -0.784 20 0 CBADRP CN(c1ccc2[nH]c(N)[nH+]c2c1)S(=O)(=O)CC[NH3+] ZINC001164296998 819904293 /nfs/dbraw/zinc/90/42/93/819904293.db2.gz GDBMLUHWYYHJBB-UHFFFAOYSA-N 2 0 269.330 -0.130 20 0 CBADRP CN(c1cccc(N2CC[NH2+]CC2)c1)S(=O)(=O)CC[NH3+] ZINC001164297602 819905220 /nfs/dbraw/zinc/90/52/20/819905220.db2.gz YSXQPCJVLSSXBV-UHFFFAOYSA-N 2 0 298.412 -0.179 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC)C1 ZINC001164449296 819913403 /nfs/dbraw/zinc/91/34/03/819913403.db2.gz HDJDEVKJXKZYMP-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001164449276 819913885 /nfs/dbraw/zinc/91/38/85/819913885.db2.gz GRERAWLABSVKTQ-GFCCVEGCSA-N 2 0 284.404 -0.310 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164577832 819931468 /nfs/dbraw/zinc/93/14/68/819931468.db2.gz UOHCGOQMLJXCAC-XQQFMLRXSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164577831 819932218 /nfs/dbraw/zinc/93/22/18/819932218.db2.gz UOHCGOQMLJXCAC-AVGNSLFASA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+]1CCN(c2cccc(N3C[C@@H]([NH3+])[C@@H](O)C3)n2)CC1 ZINC001165147579 819939779 /nfs/dbraw/zinc/93/97/79/819939779.db2.gz JJKNZZDIKWUYGF-NEPJUHHUSA-N 2 0 277.372 -0.658 20 0 CBADRP Nc1cccc(N2CC(=O)NC3(CC[NH2+]CC3)C2)[nH+]1 ZINC001165252207 819944093 /nfs/dbraw/zinc/94/40/93/819944093.db2.gz AEUDASZQVYZWIK-UHFFFAOYSA-N 2 0 261.329 -0.278 20 0 CBADRP c1nc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)nc2c1C[NH2+]CC2 ZINC001165269055 819944470 /nfs/dbraw/zinc/94/44/70/819944470.db2.gz BKXDHSRNDWIWNQ-STQMWFEESA-N 2 0 275.356 -0.311 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001165263984 819944962 /nfs/dbraw/zinc/94/49/62/819944962.db2.gz YOQMRKSYPFJCOX-LLVKDONJSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CC(=O)N2CCC2)CC1 ZINC001165253490 819945027 /nfs/dbraw/zinc/94/50/27/819945027.db2.gz GZIAKQABAFNVHE-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP c1nc2c(c(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)n1)CC[NH2+]C2 ZINC001165269302 819945034 /nfs/dbraw/zinc/94/50/34/819945034.db2.gz IITWOZUSZMVPST-AAEUAGOBSA-N 2 0 275.356 -0.311 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)CCC[NH+](C)C)c1nnnn1C ZINC001165359542 819956929 /nfs/dbraw/zinc/95/69/29/819956929.db2.gz DLCWSTXTZVYIAW-NSHDSACASA-N 2 0 297.407 -0.291 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165361134 819957618 /nfs/dbraw/zinc/95/76/18/819957618.db2.gz YUONEKQDIGAASA-LLVKDONJSA-N 2 0 272.393 -0.441 20 0 CBADRP C[N@H+](CC(=O)NCCC1(C[NH2+]CC(N)=O)CC1)C1CCC1 ZINC001165492655 819968974 /nfs/dbraw/zinc/96/89/74/819968974.db2.gz YBPOMGFUVNIYPK-UHFFFAOYSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)CC[NH+](C)C)c1nnnn1C ZINC001165776630 819981673 /nfs/dbraw/zinc/98/16/73/819981673.db2.gz MBLMIXNDIBWNHU-SNVBAGLBSA-N 2 0 283.380 -0.681 20 0 CBADRP CC[C@H](C(=O)NCCC1(C[NH2+]CC(=O)NC)CC1)[NH+](C)C ZINC001165718993 819982450 /nfs/dbraw/zinc/98/24/50/819982450.db2.gz WGWGMUIUCJQXGZ-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001165794222 819983074 /nfs/dbraw/zinc/98/30/74/819983074.db2.gz NJXFDPYSXPTDCF-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165793809 819983314 /nfs/dbraw/zinc/98/33/14/819983314.db2.gz BCHUBMRLGKNYRG-UHFFFAOYSA-N 2 0 286.420 -0.098 20 0 CBADRP CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165794366 819983678 /nfs/dbraw/zinc/98/36/78/819983678.db2.gz TXDUDWLVECWLOG-LBPRGKRZSA-N 2 0 286.420 -0.051 20 0 CBADRP COCCOCC[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165781324 819983706 /nfs/dbraw/zinc/98/37/06/819983706.db2.gz PNWPKXFWRXUNQP-UHFFFAOYSA-N 2 0 275.393 -0.303 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001165781144 819983754 /nfs/dbraw/zinc/98/37/54/819983754.db2.gz IEACAAIQAVZYOO-UHFFFAOYSA-N 2 0 285.392 -0.941 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165794185 819983806 /nfs/dbraw/zinc/98/38/06/819983806.db2.gz LSCIVBFERKQZSM-UHFFFAOYSA-N 2 0 272.393 -0.488 20 0 CBADRP CC(C)[C@H](C(=O)NCCC[NH2+]CC(N)=O)[NH+](C)C ZINC001166004467 819988249 /nfs/dbraw/zinc/98/82/49/819988249.db2.gz OMZULUBIMXGANS-LLVKDONJSA-N 2 0 258.366 -0.846 20 0 CBADRP CC(C)[C@H](C(=O)NCCC[NH2+]CCn1cncn1)[NH+](C)C ZINC001166010146 819990238 /nfs/dbraw/zinc/99/02/38/819990238.db2.gz IQWYZWSHFQYKBX-CYBMUJFWSA-N 2 0 296.419 -0.040 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166010262 819990507 /nfs/dbraw/zinc/99/05/07/819990507.db2.gz MMDVGUKGHRMADH-QWHCGFSZSA-N 2 0 289.420 -0.324 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)C(N)=O ZINC001166011164 819990738 /nfs/dbraw/zinc/99/07/38/819990738.db2.gz YVLHHBYGKLGXGL-NWDGAFQWSA-N 2 0 286.420 -0.068 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]Cc1cn(C)nn1 ZINC001166626792 820008237 /nfs/dbraw/zinc/00/82/37/820008237.db2.gz JKFAODCJTBTIDD-LBPRGKRZSA-N 2 0 294.403 -0.105 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]Cc1nncn1C ZINC001166634544 820009637 /nfs/dbraw/zinc/00/96/37/820009637.db2.gz VMYSYVGXQXNRFT-LBPRGKRZSA-N 2 0 294.403 -0.105 20 0 CBADRP [NH3+]C1CCN(c2cncc(N3CC[NH2+]CC3)n2)CC1 ZINC001166661967 820011953 /nfs/dbraw/zinc/01/19/53/820011953.db2.gz DJJLLJVZACYBQX-UHFFFAOYSA-N 2 0 262.361 -0.186 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CCCO)C1 ZINC001166677787 820012603 /nfs/dbraw/zinc/01/26/03/820012603.db2.gz NDOQWJHWUCSFSY-GFCCVEGCSA-N 2 0 257.378 -0.194 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001166678158 820013059 /nfs/dbraw/zinc/01/30/59/820013059.db2.gz UDOKFRAZZVTMCW-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CCCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166667562 820013130 /nfs/dbraw/zinc/01/31/30/820013130.db2.gz DJOGMNDPKUDXNW-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001166668249 820013153 /nfs/dbraw/zinc/01/31/53/820013153.db2.gz WUYYAYAWYMBJOT-RYUDHWBXSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@H](O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166676641 820014345 /nfs/dbraw/zinc/01/43/45/820014345.db2.gz AGQGDUNJHJHZNT-NEPJUHHUSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@H](O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166676643 820015012 /nfs/dbraw/zinc/01/50/12/820015012.db2.gz AGQGDUNJHJHZNT-RYUDHWBXSA-N 2 0 257.378 -0.195 20 0 CBADRP COCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166695069 820015672 /nfs/dbraw/zinc/01/56/72/820015672.db2.gz ZSTVLLVDXNGHQL-VXGBXAGGSA-N 2 0 257.378 -0.074 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)N(C)C ZINC001166678159 820017014 /nfs/dbraw/zinc/01/70/14/820017014.db2.gz UDOKFRAZZVTMCW-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166692820 820017231 /nfs/dbraw/zinc/01/72/31/820017231.db2.gz QEUHINLTEVVJSU-QWHCGFSZSA-N 2 0 298.431 -0.194 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001166708667 820018373 /nfs/dbraw/zinc/01/83/73/820018373.db2.gz VXGRULXDCHNNSC-AAEUAGOBSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1nncn1C ZINC001166708104 820019809 /nfs/dbraw/zinc/01/98/09/820019809.db2.gz MCELQZBJRSAYND-VXGBXAGGSA-N 2 0 294.403 -0.391 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166765332 820034536 /nfs/dbraw/zinc/03/45/36/820034536.db2.gz XROSKGNNSCGFKJ-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001166858341 820042580 /nfs/dbraw/zinc/04/25/80/820042580.db2.gz QIHAPSBHKXRCLJ-QWRGUYRKSA-N 2 0 298.387 -0.772 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)COC)[NH+](C)C ZINC001166858330 820042622 /nfs/dbraw/zinc/04/26/22/820042622.db2.gz PWVUURLZKNTZIE-NEPJUHHUSA-N 2 0 275.393 -0.570 20 0 CBADRP N=c1sc2c(n1-c1cc(C[NH3+])ncn1)CC[NH2+]C2 ZINC001166860491 820042902 /nfs/dbraw/zinc/04/29/02/820042902.db2.gz ZSGINFWIMJVWOM-UHFFFAOYSA-N 2 0 262.342 -0.087 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001166858340 820043087 /nfs/dbraw/zinc/04/30/87/820043087.db2.gz QIHAPSBHKXRCLJ-MNOVXSKESA-N 2 0 298.387 -0.772 20 0 CBADRP [NH3+]C[C@H]1CN(c2nc(Cl)nc3c2C[NH2+]CC3)CCO1 ZINC001166937604 820048960 /nfs/dbraw/zinc/04/89/60/820048960.db2.gz DAIGWQTVGSDQHP-QMMMGPOBSA-N 2 0 283.763 -0.060 20 0 CBADRP [NH3+]C[C@H]1CN(c2ccc(OC3CC[NH2+]CC3)nn2)CCO1 ZINC001166939813 820049276 /nfs/dbraw/zinc/04/92/76/820049276.db2.gz NVZQTQFTTNEPHL-LBPRGKRZSA-N 2 0 293.371 -0.229 20 0 CBADRP [NH3+][C@H]1CN(c2cc(Cl)nc3c2CC[NH2+]C3)C[C@H]1O ZINC001167093635 820071333 /nfs/dbraw/zinc/07/13/33/820071333.db2.gz XPUBTKPPYJVKLU-GZMMTYOYSA-N 2 0 268.748 -0.111 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1-c1ccc(N2CC[NH2+]CC2)nc1 ZINC001167674509 820109051 /nfs/dbraw/zinc/10/90/51/820109051.db2.gz SZZBEGWSDJJWNE-UHFFFAOYSA-N 2 0 299.382 -0.077 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1-c1ncc2c(n1)C[NH2+]CC2 ZINC001167671839 820109856 /nfs/dbraw/zinc/10/98/56/820109856.db2.gz OSAPATNTMBZHTL-UHFFFAOYSA-N 2 0 271.328 -0.445 20 0 CBADRP N=c1cc(C[NH3+])ccn1-c1nccnc1N1CC[NH2+]CC1 ZINC001167684127 820111321 /nfs/dbraw/zinc/11/13/21/820111321.db2.gz SHRGCQYGETUKOA-UHFFFAOYSA-N 2 0 285.355 -0.385 20 0 CBADRP Cn1nnc(-c2ccc(NC(=[NH2+])NCCCC[NH3+])cn2)n1 ZINC001167877762 820124854 /nfs/dbraw/zinc/12/48/54/820124854.db2.gz DKECWEXFZVXGFG-UHFFFAOYSA-N 2 0 289.347 -0.053 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(-c2nn[nH]n2)nc1 ZINC001167878660 820125518 /nfs/dbraw/zinc/12/55/18/820125518.db2.gz NSDMPNNZGBIQOG-UHFFFAOYSA-N 2 0 275.320 -0.063 20 0 CBADRP NC(=O)Cc1ccc(NC(=[NH2+])NCCCC[NH3+])nn1 ZINC001167878412 820125914 /nfs/dbraw/zinc/12/59/14/820125914.db2.gz QKMSOTLTFMHHDE-UHFFFAOYSA-N 2 0 265.321 -0.820 20 0 CBADRP NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168029181 820138852 /nfs/dbraw/zinc/13/88/52/820138852.db2.gz DHXXYVQYPDDKFV-NWDGAFQWSA-N 2 0 282.388 -0.416 20 0 CBADRP [NH3+]Cc1cnn(-c2nccnc2N2CC[NH2+]CC2)c1 ZINC001168254197 820152916 /nfs/dbraw/zinc/15/29/16/820152916.db2.gz HMCYBBHECCVRQF-UHFFFAOYSA-N 2 0 259.317 -0.469 20 0 CBADRP C[NH+](C)C1CCC([NH2+]C[C@@H]2CNC(=O)CO2)CC1 ZINC001168298527 820155622 /nfs/dbraw/zinc/15/56/22/820155622.db2.gz ZNFGEDJGJHLTHU-HTAVTVPLSA-N 2 0 255.362 -0.036 20 0 CBADRP COc1c(C2C[NH2+]C2)ncnc1-n1ccnc1C(N)=[NH2+] ZINC001168415740 820160721 /nfs/dbraw/zinc/16/07/21/820160721.db2.gz MMMIEULABOFMKZ-UHFFFAOYSA-N 2 0 273.300 -0.358 20 0 CBADRP NC(=[NH2+])c1nccn1-c1ncccc1N1CC[NH2+]CC1 ZINC001168411119 820160859 /nfs/dbraw/zinc/16/08/59/820160859.db2.gz UJIGWAWUXMWKFZ-UHFFFAOYSA-N 2 0 271.328 -0.039 20 0 CBADRP NC(=[NH2+])c1nccn1-c1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001168416640 820162270 /nfs/dbraw/zinc/16/22/70/820162270.db2.gz ZFNKDYLVTHHHQS-VIFPVBQESA-N 2 0 273.300 -0.313 20 0 CBADRP NC(=[NH2+])c1nccn1-c1ccc(OC2C[NH2+]C2)cn1 ZINC001168419169 820162441 /nfs/dbraw/zinc/16/24/41/820162441.db2.gz DCEXLWFBEMRDER-UHFFFAOYSA-N 2 0 258.285 -0.098 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001168755743 820176535 /nfs/dbraw/zinc/17/65/35/820176535.db2.gz RJRDFMCWSLTEGZ-UHFFFAOYSA-N 2 0 299.419 -0.551 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001168756216 820176736 /nfs/dbraw/zinc/17/67/36/820176736.db2.gz WWEVTHCQATYGCW-UHFFFAOYSA-N 2 0 298.391 -0.954 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)C[NH+](CC)CC)C(N)=O ZINC001168763930 820179816 /nfs/dbraw/zinc/17/98/16/820179816.db2.gz VEJQVZXZPCMHIA-LLVKDONJSA-N 2 0 272.393 -0.312 20 0 CBADRP [NH3+][C@H]1CCc2nn(-c3nccnc3N3CC[NH2+]CC3)cc2C1 ZINC001168807460 820183637 /nfs/dbraw/zinc/18/36/37/820183637.db2.gz HPAVEINUHJMAQP-LBPRGKRZSA-N 2 0 299.382 -0.112 20 0 CBADRP [NH3+]Cc1nnnn1-c1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC001168924490 820194767 /nfs/dbraw/zinc/19/47/67/820194767.db2.gz ZONYAICCQDIRIL-UHFFFAOYSA-N 2 0 287.327 -0.834 20 0 CBADRP Cc1nc(CC[NH3+])nn1-c1nccnc1N1CC[NH2+]CC1 ZINC001168983347 820199028 /nfs/dbraw/zinc/19/90/28/820199028.db2.gz OUIOBZQABFWCCP-UHFFFAOYSA-N 2 0 288.359 -0.723 20 0 CBADRP COc1c(C2C[NH2+]C2)ncnc1-n1nc(CC[NH3+])nc1C ZINC001168986026 820199342 /nfs/dbraw/zinc/19/93/42/820199342.db2.gz KWVGNXREVIFKSU-UHFFFAOYSA-N 2 0 289.343 -0.438 20 0 CBADRP [NH3+][C@@H](CO)Cc1cncn1-c1cccnc1OC1C[NH2+]C1 ZINC001169074804 820205396 /nfs/dbraw/zinc/20/53/96/820205396.db2.gz OPDGPDQXIMIPFE-SNVBAGLBSA-N 2 0 289.339 -0.520 20 0 CBADRP [NH3+][C@@H](CO)Cc1cncn1-c1cnc2c(c1)C[NH2+]CC2 ZINC001169074583 820205475 /nfs/dbraw/zinc/20/54/75/820205475.db2.gz SNASWBZLOFKMGB-LLVKDONJSA-N 2 0 273.340 -0.225 20 0 CBADRP CCOC(=O)CNC(=O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169099992 820207467 /nfs/dbraw/zinc/20/74/67/820207467.db2.gz YSPACQAZQMWWQQ-CNDDSTCGSA-N 2 0 283.372 -0.120 20 0 CBADRP [NH3+]Cc1cnnn1-c1cncc(OCC[NH+]2CCCC2)n1 ZINC001169308119 820226332 /nfs/dbraw/zinc/22/63/32/820226332.db2.gz HGOUNPVACRHVGI-UHFFFAOYSA-N 2 0 289.343 -0.009 20 0 CBADRP C[C@H]1CN(c2ccc(-n3nncc3C[NH3+])nn2)CC[NH2+]1 ZINC001169307757 820226427 /nfs/dbraw/zinc/22/64/27/820226427.db2.gz CYBADVYSKSCCOE-VIFPVBQESA-N 2 0 274.332 -0.686 20 0 CBADRP [NH3+]Cc1cnnn1-c1nc(Cl)nc2c1CC[NH2+]CC2 ZINC001169308551 820227010 /nfs/dbraw/zinc/22/70/10/820227010.db2.gz PEDSSBRYWIIPBS-UHFFFAOYSA-N 2 0 279.735 -0.142 20 0 CBADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCN(C)CC[NH3+])CO1 ZINC001169349080 820243585 /nfs/dbraw/zinc/24/35/85/820243585.db2.gz NYXSSYHVSSHJNN-NWDGAFQWSA-N 2 0 273.377 -0.423 20 0 CBADRP CC(=O)N1CC[C@H]([NH2+]C[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])C1 ZINC001169507394 820250142 /nfs/dbraw/zinc/25/01/42/820250142.db2.gz SGZZHZVLSULQTI-REWJHTLYSA-N 2 0 285.388 -0.078 20 0 CBADRP CCOC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)C[NH3+])CC1 ZINC001169646354 820262375 /nfs/dbraw/zinc/26/23/75/820262375.db2.gz SKELVFFKJNCGMS-GHMZBOCLSA-N 2 0 259.350 -0.093 20 0 CBADRP C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169809977 820266845 /nfs/dbraw/zinc/26/68/45/820266845.db2.gz MVOGBFXMXIPQIM-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169809979 820266888 /nfs/dbraw/zinc/26/68/88/820266888.db2.gz MVOGBFXMXIPQIM-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(C)[NH+]1CCC(C(=O)NCCC[NH2+]CC(N)=O)CC1 ZINC001169948797 820271195 /nfs/dbraw/zinc/27/11/95/820271195.db2.gz RUOWCNCMVZAMAY-UHFFFAOYSA-N 2 0 284.404 -0.312 20 0 CBADRP c1cc2c(nc1NC[C@@H]1COCC[NH2+]1)OCC[NH2+]C2 ZINC001170034300 820273949 /nfs/dbraw/zinc/27/39/49/820273949.db2.gz BHQLPHDRYZQUNO-LLVKDONJSA-N 2 0 264.329 -0.036 20 0 CBADRP C[C@H]1CN(c2ccc(NC[C@H]3COCC[NH2+]3)nn2)CC[NH2+]1 ZINC001170034366 820274340 /nfs/dbraw/zinc/27/43/40/820274340.db2.gz CCSRXMLQQFNDSM-RYUDHWBXSA-N 2 0 292.387 -0.325 20 0 CBADRP [NH3+]C1CCN(c2cncc(NC[C@@H]3COCC[NH2+]3)n2)CC1 ZINC001170042580 820275297 /nfs/dbraw/zinc/27/52/97/820275297.db2.gz QAGFHDBQRVYPTH-GFCCVEGCSA-N 2 0 292.387 -0.196 20 0 CBADRP c1cc(N2CC[NH2+]CC2)ncc1NC[C@@H]1COCC[NH2+]1 ZINC001170042758 820276665 /nfs/dbraw/zinc/27/66/65/820276665.db2.gz DCIBEMADBSERIH-CYBMUJFWSA-N 2 0 277.372 -0.109 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001170212359 820280280 /nfs/dbraw/zinc/28/02/80/820280280.db2.gz VSDFLQPBTKWENO-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NC ZINC001170210542 820281094 /nfs/dbraw/zinc/28/10/94/820281094.db2.gz CLYAPXPSOLTKRQ-UHFFFAOYSA-N 2 0 258.366 -0.830 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001170212459 820282047 /nfs/dbraw/zinc/28/20/47/820282047.db2.gz ZPKSPKXSIBFVDO-JTQLQIEISA-N 2 0 258.366 -0.702 20 0 CBADRP C[NH+]1CC(CNc2ccnc(N3CC[NH2+]CC3)n2)C1 ZINC001170249887 820283240 /nfs/dbraw/zinc/28/32/40/820283240.db2.gz RMLHCWKEIKGXCK-UHFFFAOYSA-N 2 0 262.361 -0.140 20 0 CBADRP CN(CC[NH3+])CCNc1ccc(OC2C[NH2+]C2)cn1 ZINC001170504852 820295780 /nfs/dbraw/zinc/29/57/80/820295780.db2.gz MDGVZQJDGWSMAB-UHFFFAOYSA-N 2 0 265.361 -0.265 20 0 CBADRP CN(CC[NH3+])CCNc1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001170501989 820296255 /nfs/dbraw/zinc/29/62/55/820296255.db2.gz JBGKEYPIUHPRMQ-GFCCVEGCSA-N 2 0 280.376 -0.480 20 0 CBADRP COc1c(N[C@@H]2C[NH2+]C[C@H]2CO)ncnc1C1C[NH2+]C1 ZINC001170778048 820320247 /nfs/dbraw/zinc/32/02/47/820320247.db2.gz KRWPKHADQYIZLL-VHSXEESVSA-N 2 0 279.344 -0.836 20 0 CBADRP COc1c(N[C@H]2C[NH2+]C[C@H]2CO)ncnc1C1C[NH2+]C1 ZINC001170778042 820320409 /nfs/dbraw/zinc/32/04/09/820320409.db2.gz KRWPKHADQYIZLL-UWVGGRQHSA-N 2 0 279.344 -0.836 20 0 CBADRP COC(=O)Cc1cc(N[C@H]2C[NH2+]C[C@@H]2CO)cc[nH+]1 ZINC001170780539 820323049 /nfs/dbraw/zinc/32/30/49/820323049.db2.gz GSADYLMTWXWMEN-SKDRFNHKSA-N 2 0 265.313 -0.211 20 0 CBADRP [NH3+]CCN(CC[NH2+][C@H]1CCCOCC1)N(O)N=O ZINC001170797059 820326326 /nfs/dbraw/zinc/32/63/26/820326326.db2.gz RVWPMANWHKOXKE-JTQLQIEISA-N 2 0 261.326 -0.307 20 0 CBADRP [NH3+]CCN(CC[NH2+][C@@H]1CCCOCC1)N(O)N=O ZINC001170797060 820327159 /nfs/dbraw/zinc/32/71/59/820327159.db2.gz RVWPMANWHKOXKE-SNVBAGLBSA-N 2 0 261.326 -0.307 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncnc2c1C[NH2+]CC2 ZINC001170869576 820331890 /nfs/dbraw/zinc/33/18/90/820331890.db2.gz IXXICNQCHOQUPA-ZYHUDNBSSA-N 2 0 291.355 -0.315 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(N2CC[NH2+]CC2)nc1 ZINC001170898019 820332126 /nfs/dbraw/zinc/33/21/26/820332126.db2.gz BABCZYUUXIMWEF-GFCCVEGCSA-N 3 0 264.377 -0.073 20 0 CBADRP C[C@H]1CN(c2ccc(N[C@@H]([NH3+])CCC[NH3+])nn2)CC[NH2+]1 ZINC001170897101 820332891 /nfs/dbraw/zinc/33/28/91/820332891.db2.gz DBTHOJBGXNNAFL-WDEREUQCSA-N 3 0 279.392 -0.290 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1nccnc1N1CCOCC1 ZINC001170897258 820332950 /nfs/dbraw/zinc/33/29/50/820332950.db2.gz KYZHJIBPVPPIHS-JTQLQIEISA-N 2 0 266.349 -0.251 20 0 CBADRP CN1CCOc2c1cnnc2N[C@@H]([NH3+])CCC[NH3+] ZINC001170895986 820333475 /nfs/dbraw/zinc/33/34/75/820333475.db2.gz BJPVFQLLTVIAAM-SECBINFHSA-N 2 0 252.322 -0.259 20 0 CBADRP CC(=O)Nc1nc2nc[nH]c2c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001170897371 820333752 /nfs/dbraw/zinc/33/37/52/820333752.db2.gz FVBWDBLFIKJEKU-ZETCQYMHSA-N 2 0 278.320 -0.253 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1nccc(N2CC[NH2+]CC2)n1 ZINC001170894501 820333878 /nfs/dbraw/zinc/33/38/78/820333878.db2.gz ISOOTVXFMVPMBC-SNVBAGLBSA-N 3 0 265.365 -0.678 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1cccnc1OC1C[NH2+]C1 ZINC001170903410 820334412 /nfs/dbraw/zinc/33/44/12/820334412.db2.gz JOAPPVPYTQRZKH-NSHDSACASA-N 3 0 251.334 -0.132 20 0 CBADRP NC(=O)c1nc(Cl)nc(N[C@@H]([NH3+])CCC[NH3+])c1F ZINC001170899832 820336235 /nfs/dbraw/zinc/33/62/35/820336235.db2.gz YDIDQSLDOOGPOF-SCSAIBSYSA-N 2 0 276.703 -0.196 20 0 CBADRP CN1CCN(c2cc(N[C@@H]([NH3+])CCC[NH3+])ncn2)CC1 ZINC001170898889 820336546 /nfs/dbraw/zinc/33/65/46/820336546.db2.gz RGILBAPLTFNXMX-LLVKDONJSA-N 2 0 279.392 -0.336 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1ncccc1N1C(=O)C=CC1=O ZINC001170899954 820336579 /nfs/dbraw/zinc/33/65/79/820336579.db2.gz ZCWARRZPKZLRGL-SNVBAGLBSA-N 2 0 275.312 -0.053 20 0 CBADRP COCC[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171204797 820349276 /nfs/dbraw/zinc/34/92/76/820349276.db2.gz GJXRXQLFFULQLL-UHFFFAOYSA-N 2 0 261.366 -0.693 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CCn2cncn2)C1 ZINC001171225839 820350125 /nfs/dbraw/zinc/35/01/25/820350125.db2.gz AERDAPOKCWTAOM-ZDUSSCGKSA-N 2 0 294.403 -0.284 20 0 CBADRP COC[C@@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171218701 820350276 /nfs/dbraw/zinc/35/02/76/820350276.db2.gz RNYFBNWQLRWIAO-GFCCVEGCSA-N 2 0 275.393 -0.305 20 0 CBADRP CN1CC[C@@H]([NH2+]CCCNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001171227055 820350579 /nfs/dbraw/zinc/35/05/79/820350579.db2.gz MERXTDKAHNRVCA-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC(=O)N2CCC2)C1 ZINC001171216892 820352083 /nfs/dbraw/zinc/35/20/83/820352083.db2.gz KKZCBVDHBAJJCN-ZDUSSCGKSA-N 2 0 296.415 -0.344 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001171217488 820352353 /nfs/dbraw/zinc/35/23/53/820352353.db2.gz NTPQYYAURWVYBB-VXGBXAGGSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001171228125 820352555 /nfs/dbraw/zinc/35/25/55/820352555.db2.gz SDDBKGCAAFYHAU-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP O=C(NCCC[NH2+][C@H]1CCCNC1=O)C12CC[NH+](CC1)C2 ZINC001171311490 820355819 /nfs/dbraw/zinc/35/58/19/820355819.db2.gz SZWPAWQDDMAGOF-LBPRGKRZSA-N 2 0 294.399 -0.543 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171294001 820356960 /nfs/dbraw/zinc/35/69/60/820356960.db2.gz PFDWXVZLBNBFTG-LBPRGKRZSA-N 2 0 285.388 -0.815 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171579597 820361736 /nfs/dbraw/zinc/36/17/36/820361736.db2.gz YGHWXKUIZUSHOJ-UHFFFAOYSA-N 2 0 286.420 -0.050 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC ZINC001171758295 820369607 /nfs/dbraw/zinc/36/96/07/820369607.db2.gz VPVFINDOUWHDMK-UHFFFAOYSA-N 2 0 258.366 -0.830 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC(C)C ZINC001171757330 820369843 /nfs/dbraw/zinc/36/98/43/820369843.db2.gz IXSUNMBYXOIRTI-UHFFFAOYSA-N 2 0 286.420 -0.051 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001171762774 820370281 /nfs/dbraw/zinc/37/02/81/820370281.db2.gz KOORSFUPOXDPFC-UHFFFAOYSA-N 2 0 272.393 -0.488 20 0 CBADRP CCN1CC[C@H]([NH2+]CCC[N@H+](C)CCO)CC1=O ZINC001172042261 820379636 /nfs/dbraw/zinc/37/96/36/820379636.db2.gz LOKJANKJAXEZFZ-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP CCN1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)NC)CC1=O ZINC001172043877 820379733 /nfs/dbraw/zinc/37/97/33/820379733.db2.gz SBLRGWLVDSOBCP-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP CN1[C@H]2COC[C@@H]1CC([NH2+]CCN1CC[NH+](C)CC1)C2 ZINC001172122560 820382293 /nfs/dbraw/zinc/38/22/93/820382293.db2.gz AXFPUCCLNZNAJT-GOOCMWNKSA-N 2 0 282.432 -0.315 20 0 CBADRP [NH3+]CCN1CC[NH+]([C@@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172148575 820384088 /nfs/dbraw/zinc/38/40/88/820384088.db2.gz AVCJCQUOAFXLSR-CHWSQXEVSA-N 2 0 266.389 -0.284 20 0 CBADRP CN(CC[NH3+])CC[NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172163892 820388846 /nfs/dbraw/zinc/38/88/46/820388846.db2.gz KHYFGILDAJYHIH-NWDGAFQWSA-N 2 0 254.378 -0.380 20 0 CBADRP COCCC[NH+]1CCC([NH2+]C[C@@H]2CNC(=O)CO2)CC1 ZINC001172247200 820391642 /nfs/dbraw/zinc/39/16/42/820391642.db2.gz JUJGFYBOMZDZTB-CYBMUJFWSA-N 2 0 285.388 -0.408 20 0 CBADRP COCCC[NH+]1CCC([NH2+]C[C@@H]2CC(=O)NC2=O)CC1 ZINC001172248114 820391998 /nfs/dbraw/zinc/39/19/98/820391998.db2.gz XYECTSNZDBJCEQ-NSHDSACASA-N 2 0 283.372 -0.260 20 0 CBADRP COC(=O)N1CCC([NH2+]CCN(C)CC[NH3+])CC1 ZINC001172734079 820397025 /nfs/dbraw/zinc/39/70/25/820397025.db2.gz IJRZKYCCSOLWHT-UHFFFAOYSA-N 2 0 258.366 -0.303 20 0 CBADRP COc1cccc2c1C[C@@H]([NH2+]C[C@@H](O)C[NH3+])CO2 ZINC001173146021 820400595 /nfs/dbraw/zinc/40/05/95/820400595.db2.gz UWSKCISQFVTEQI-ZJUUUORDSA-N 2 0 252.314 -0.092 20 0 CBADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173739594 820410197 /nfs/dbraw/zinc/41/01/97/820410197.db2.gz KDIXYTSIVBHPIR-OUAUKWLOSA-N 2 0 282.348 -0.506 20 0 CBADRP Cn1nccc1C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176072347 820437605 /nfs/dbraw/zinc/43/76/05/820437605.db2.gz QEBWRAJRKZLZGY-LBPRGKRZSA-N 2 0 279.388 -0.032 20 0 CBADRP CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176071517 820438050 /nfs/dbraw/zinc/43/80/50/820438050.db2.gz FNCKGIGUDUWNCS-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CCn1ncc(C[NH2+]CCCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001176071614 820438066 /nfs/dbraw/zinc/43/80/66/820438066.db2.gz GVVIGHDJVHGVGK-LBPRGKRZSA-N 2 0 294.403 -0.154 20 0 CBADRP Cn1cc(C[NH2+]CCCNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001176071601 820438186 /nfs/dbraw/zinc/43/81/86/820438186.db2.gz GQCFXCDKZPOYJW-ZDUSSCGKSA-N 2 0 279.388 -0.032 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176072209 820438412 /nfs/dbraw/zinc/43/84/12/820438412.db2.gz MWELOCIFGSFKSM-NSHDSACASA-N 2 0 270.377 -0.830 20 0 CBADRP CCn1nncc1C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176072417 820438895 /nfs/dbraw/zinc/43/88/95/820438895.db2.gz SMFVRHXZQPXGEW-GFCCVEGCSA-N 2 0 294.403 -0.154 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176095475 820439936 /nfs/dbraw/zinc/43/99/36/820439936.db2.gz COKDKPHZMSZJMB-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CN1CCC[C@@H]([NH2+]CCCNC(=O)C[NH+]2CCCC2)C1=O ZINC001176102129 820440070 /nfs/dbraw/zinc/44/00/70/820440070.db2.gz BIVRJBGTXORFSU-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CCn1ncnc1C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176095497 820440128 /nfs/dbraw/zinc/44/01/28/820440128.db2.gz CYODKCLCSJQHLB-UHFFFAOYSA-N 2 0 294.403 -0.010 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001176096351 820440146 /nfs/dbraw/zinc/44/01/46/820440146.db2.gz RBPJQHFQOKIJIN-NEPJUHHUSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C[NH+]1CCCC1)c1nnnn1C ZINC001176102157 820440425 /nfs/dbraw/zinc/44/04/25/820440425.db2.gz BSSBFFGPNQLBJS-LLVKDONJSA-N 2 0 295.391 -0.537 20 0 CBADRP Cn1ncc(C[NH2+]CCCNC(=O)C[NH+]2CCCC2)n1 ZINC001176103310 820441171 /nfs/dbraw/zinc/44/11/71/820441171.db2.gz WKEHZPSVWUMMJC-UHFFFAOYSA-N 2 0 280.376 -0.493 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cn1nc(C)nc1C ZINC001176908658 820479516 /nfs/dbraw/zinc/47/95/16/820479516.db2.gz XBTLZRRDNUCRRJ-UHFFFAOYSA-N 2 0 295.391 -0.041 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)C[N@H+](C)C(C)C)C(N)=O ZINC001176975062 820484720 /nfs/dbraw/zinc/48/47/20/820484720.db2.gz JRIBHRXEZFPTTO-NSHDSACASA-N 2 0 272.393 -0.314 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176971712 820485371 /nfs/dbraw/zinc/48/53/71/820485371.db2.gz GADVYTSDZOHMHX-UHFFFAOYSA-N 2 0 286.420 -0.053 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H]1CCc2nc[nH]c2C1 ZINC001177182328 820496816 /nfs/dbraw/zinc/49/68/16/820496816.db2.gz ZEALUERAKGKTCP-VIFPVBQESA-N 2 0 278.360 -0.024 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C1=Cc2cccn2C1=O ZINC001177825883 820541585 /nfs/dbraw/zinc/54/15/85/820541585.db2.gz NMHIGIMEVKARLF-UHFFFAOYSA-N 2 0 275.312 -0.014 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C1(c2ncccn2)CC1 ZINC001178352904 820577702 /nfs/dbraw/zinc/57/77/02/820577702.db2.gz KBNYMWWMXUJBSA-UHFFFAOYSA-N 2 0 276.344 -0.031 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001178360914 820578200 /nfs/dbraw/zinc/57/82/00/820578200.db2.gz SKGZEGCRJAJVQJ-MELADBBJSA-N 2 0 299.415 -0.332 20 0 CBADRP COCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)[C@H]1C ZINC001178414862 820581224 /nfs/dbraw/zinc/58/12/24/820581224.db2.gz SDGXMWFEZJPNLN-AVGNSLFASA-N 2 0 285.388 -0.458 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H]1C)[NH+](C)C ZINC001178990290 820613758 /nfs/dbraw/zinc/61/37/58/820613758.db2.gz QMFUSUJYZOOSGQ-SDDRHHMPSA-N 2 0 284.404 -0.348 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C)C(N)=O ZINC001179431236 820627388 /nfs/dbraw/zinc/62/73/88/820627388.db2.gz RLCQIYOOCURQEU-WOPDTQHZSA-N 2 0 296.415 -0.219 20 0 CBADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C)C(N)=O ZINC001179485876 820629346 /nfs/dbraw/zinc/62/93/46/820629346.db2.gz CRWOQBKBBBAZAB-SRVKXCTJSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)CC[NH+](C)C ZINC001179471799 820630530 /nfs/dbraw/zinc/63/05/30/820630530.db2.gz BLAVGKIMKJJKCD-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H]1C)[NH+](C)C ZINC001179550179 820631564 /nfs/dbraw/zinc/63/15/64/820631564.db2.gz QMFUSUJYZOOSGQ-SRVKXCTJSA-N 2 0 284.404 -0.348 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124381 820650110 /nfs/dbraw/zinc/65/01/10/820650110.db2.gz IKASLLFEXDBKJZ-XUXIUFHCSA-N 2 0 299.415 -0.476 20 0 CBADRP C[NH+](C)CCOCC(=O)NCCCCCC[NH2+]CCO ZINC001180061121 820650695 /nfs/dbraw/zinc/65/06/95/820650695.db2.gz XYWMVEYTMMRFTM-UHFFFAOYSA-N 2 0 289.420 -0.177 20 0 CBADRP CC(=O)N(C)CCC(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001180229821 820656773 /nfs/dbraw/zinc/65/67/73/820656773.db2.gz VAHSJLAAXINYQE-UHFFFAOYSA-N 2 0 257.338 -0.684 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)Cn1nc2ccccc2n1 ZINC001180299134 820667202 /nfs/dbraw/zinc/66/72/02/820667202.db2.gz JVCBBPCNOHHGKO-UHFFFAOYSA-N 2 0 289.343 -0.108 20 0 CBADRP CC(C)[NH+]1CCN(CC(=O)n2cc(C[NH3+])cnc2=N)CC1 ZINC001180352944 820672150 /nfs/dbraw/zinc/67/21/50/820672150.db2.gz SHYYQOJIFMAHSB-UHFFFAOYSA-N 2 0 292.387 -0.513 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180613265 820700110 /nfs/dbraw/zinc/70/01/10/820700110.db2.gz ZMJAARRPKGAAQL-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP CN1CC[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])CC1=O ZINC001180637123 820702768 /nfs/dbraw/zinc/70/27/68/820702768.db2.gz KHBAMFUMQDVCMT-VIFPVBQESA-N 2 0 269.349 -0.684 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C1CC2(COC2)C1 ZINC001181617572 820805683 /nfs/dbraw/zinc/80/56/83/820805683.db2.gz ZZNVSJBFAWUWBN-UHFFFAOYSA-N 2 0 254.334 -0.126 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001181653333 820807425 /nfs/dbraw/zinc/80/74/25/820807425.db2.gz XXIGNSHLNHUDEG-UPJWGTAASA-N 2 0 285.388 -0.722 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccc(=O)[nH]n1 ZINC001181737051 820818802 /nfs/dbraw/zinc/81/88/02/820818802.db2.gz INTYQKULICZHPQ-UHFFFAOYSA-N 2 0 252.278 -0.286 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182017560 820850649 /nfs/dbraw/zinc/85/06/49/820850649.db2.gz LVUCNMVRDFVKBC-NSHDSACASA-N 3 0 267.377 -0.211 20 0 CBADRP C[NH+]1CCC(O)(C(=O)N2CC[N@@H+]3CC[C@@H]3C2)CC1 ZINC001182032690 820856504 /nfs/dbraw/zinc/85/65/04/820856504.db2.gz ILOFRSQLIVLQGU-LLVKDONJSA-N 2 0 253.346 -0.640 20 0 CBADRP C[N@H+](C1CN(C(=O)C2(O)CC[NH+](C)CC2)C1)[C@H]1CCOC1 ZINC001182033596 820856693 /nfs/dbraw/zinc/85/66/93/820856693.db2.gz KJXYIKVQIGWBFT-LBPRGKRZSA-N 2 0 297.399 -0.625 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CNC(=O)OC ZINC001182163957 820886092 /nfs/dbraw/zinc/88/60/92/820886092.db2.gz ZYYPFJMZJLIEIQ-UHFFFAOYSA-N 2 0 273.337 -0.594 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H]1CC(=O)N(CC2CC2)C1 ZINC001182460323 820920461 /nfs/dbraw/zinc/92/04/61/820920461.db2.gz VJEXBUYITGTAGO-NSHDSACASA-N 2 0 295.387 -0.294 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)CC[N@@H+]1C ZINC001182676186 820935115 /nfs/dbraw/zinc/93/51/15/820935115.db2.gz DOAPMZGHBSXMQU-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676352 820935992 /nfs/dbraw/zinc/93/59/92/820935992.db2.gz JAPQDLCCTQSKRK-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CCCO)C2)CC[N@@H+]1C ZINC001182683955 820936123 /nfs/dbraw/zinc/93/61/23/820936123.db2.gz HOUBCXNKQQVKRR-JHJVBQTASA-N 2 0 269.389 -0.101 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CCNC1=O ZINC001183027637 820965529 /nfs/dbraw/zinc/96/55/29/820965529.db2.gz SZUUYWNMRPPPCD-SECBINFHSA-N 2 0 269.349 -0.814 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183230484 820983011 /nfs/dbraw/zinc/98/30/11/820983011.db2.gz ZXLNSQRMRDADJL-GFCCVEGCSA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183229322 820983306 /nfs/dbraw/zinc/98/33/06/820983306.db2.gz IISOMSFUOMORQG-VXGBXAGGSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1)C1CC1 ZINC001183267835 820985578 /nfs/dbraw/zinc/98/55/78/820985578.db2.gz ONGSBFGTQTUPCS-KGLIPLIRSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183266866 820985966 /nfs/dbraw/zinc/98/59/66/820985966.db2.gz HERHTHYQKUCKDF-HZSPNIEDSA-N 2 0 299.415 -0.476 20 0 CBADRP CCCCC(=O)NCC(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001183272248 820987294 /nfs/dbraw/zinc/98/72/94/820987294.db2.gz ZLIPJWNMLDQYFZ-UHFFFAOYSA-N 2 0 271.365 -0.246 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183436282 820994514 /nfs/dbraw/zinc/99/45/14/820994514.db2.gz MRWCZWPOIDZSAE-YPMHNXCESA-N 2 0 284.404 -0.491 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001183648777 821012767 /nfs/dbraw/zinc/01/27/67/821012767.db2.gz ZCCDYFNPKKMPPX-RDBSUJKOSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001183758993 821031658 /nfs/dbraw/zinc/03/16/58/821031658.db2.gz DIGHZXITJVLPFO-WDEREUQCSA-N 2 0 284.404 -0.219 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001183759573 821032222 /nfs/dbraw/zinc/03/22/22/821032222.db2.gz MLXZSJNROOBNEF-VXGBXAGGSA-N 2 0 296.415 -0.204 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CC(=O)C(F)(F)F ZINC001184465702 821078319 /nfs/dbraw/zinc/07/83/19/821078319.db2.gz XNIXVBLHVUQDRU-UHFFFAOYSA-N 2 0 268.239 -0.031 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1[nH]c(=O)ccc1Cl ZINC001184816212 821086062 /nfs/dbraw/zinc/08/60/62/821086062.db2.gz QIIUDWIDQKTTJC-UHFFFAOYSA-N 2 0 285.735 -0.059 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001185158704 821101365 /nfs/dbraw/zinc/10/13/65/821101365.db2.gz VDXDTRNKLDLZOE-RWMBFGLXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001185249104 821112312 /nfs/dbraw/zinc/11/23/12/821112312.db2.gz OGKBZKMKFRENIW-SNVBAGLBSA-N 2 0 256.350 -0.996 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)NCC[C@@H]1CCC[NH+]1C ZINC001185262390 821117060 /nfs/dbraw/zinc/11/70/60/821117060.db2.gz NKWZUDFSSTWHCG-STQMWFEESA-N 2 0 268.405 -0.167 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC001185262941 821117112 /nfs/dbraw/zinc/11/71/12/821117112.db2.gz RZQZEFAWBVCHAT-GFCCVEGCSA-N 2 0 270.421 -0.064 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001185401605 821128106 /nfs/dbraw/zinc/12/81/06/821128106.db2.gz UOXNAHUVDNBCGR-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001185416091 821128398 /nfs/dbraw/zinc/12/83/98/821128398.db2.gz NANHIXSASRIRRB-GFCCVEGCSA-N 2 0 280.376 -0.580 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001185650689 821135941 /nfs/dbraw/zinc/13/59/41/821135941.db2.gz LOODLDKBUVDPPC-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001185651322 821136249 /nfs/dbraw/zinc/13/62/49/821136249.db2.gz XOCJKYZWBKSABE-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001185650083 821136649 /nfs/dbraw/zinc/13/66/49/821136649.db2.gz BXKXVMPBYKAJGS-MGPQQGTHSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001185651348 821137417 /nfs/dbraw/zinc/13/74/17/821137417.db2.gz YPRWYAUEWYVBFZ-UONOGXRCSA-N 2 0 299.415 -0.330 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001185659857 821138567 /nfs/dbraw/zinc/13/85/67/821138567.db2.gz QZJIIGRAVXAQQN-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001185659668 821138920 /nfs/dbraw/zinc/13/89/20/821138920.db2.gz NZBTWDHAIWXYHO-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COC)C1)[NH+](C)C ZINC001185715362 821140261 /nfs/dbraw/zinc/14/02/61/821140261.db2.gz CEERSULUDJUWBI-UPJWGTAASA-N 2 0 287.404 -0.476 20 0 CBADRP C[C@H](COCC(=O)N1CC[C@@H]([NH2+]CCO)C1)[NH+]1CCCC1 ZINC001185742103 821140761 /nfs/dbraw/zinc/14/07/61/821140761.db2.gz GWCHMXJGZNMTBB-ZIAGYGMSSA-N 2 0 299.415 -0.330 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](O)C3)C[C@H]2C1 ZINC001186046010 821158978 /nfs/dbraw/zinc/15/89/78/821158978.db2.gz YBLGJKIBUZMSLF-TUAOUCFPSA-N 2 0 253.346 -0.927 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC001186056566 821164748 /nfs/dbraw/zinc/16/47/48/821164748.db2.gz GHIQRIKJGCOQEN-LBPRGKRZSA-N 2 0 285.388 -0.591 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001186453088 821181966 /nfs/dbraw/zinc/18/19/66/821181966.db2.gz WPNYDAMDRCKIHN-GFCCVEGCSA-N 2 0 294.403 -0.153 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001186488333 821184121 /nfs/dbraw/zinc/18/41/21/821184121.db2.gz PXQRYSPDRLCKSQ-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001186497006 821185100 /nfs/dbraw/zinc/18/51/00/821185100.db2.gz WOWVMMDAPZVJHA-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001186808609 821198421 /nfs/dbraw/zinc/19/84/21/821198421.db2.gz PEISUICWVKVDGJ-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186824976 821198787 /nfs/dbraw/zinc/19/87/87/821198787.db2.gz SVIQHNLADCKCRH-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001186834088 821201193 /nfs/dbraw/zinc/20/11/93/821201193.db2.gz LGZRZPQSMNEQMK-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001186833175 821202023 /nfs/dbraw/zinc/20/20/23/821202023.db2.gz AIIARFTXFLBMNJ-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP COCC[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001279746299 828337202 /nfs/dbraw/zinc/33/72/02/828337202.db2.gz KNOMOKOZIQBDFG-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+]C[C@@H]2CCOC2)C1 ZINC001279900972 828341628 /nfs/dbraw/zinc/34/16/28/828341628.db2.gz BAZBWZOREAGLSL-UONOGXRCSA-N 2 0 299.415 -0.615 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+]C[C@H]2CCOC2)C1 ZINC001279900974 828341766 /nfs/dbraw/zinc/34/17/66/828341766.db2.gz BAZBWZOREAGLSL-ZIAGYGMSSA-N 2 0 299.415 -0.615 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001280263762 828347608 /nfs/dbraw/zinc/34/76/08/828347608.db2.gz LTFBYYAKLPQQOK-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001187291069 822263261 /nfs/dbraw/zinc/26/32/61/822263261.db2.gz GEQAHNDUMPPWOB-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001187329319 822268989 /nfs/dbraw/zinc/26/89/89/822268989.db2.gz PLLXIDFRJZKVOV-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187818579 822297238 /nfs/dbraw/zinc/29/72/38/822297238.db2.gz REKSQWBOZLZAHS-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP COCCn1ccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])n1 ZINC001187909653 822308350 /nfs/dbraw/zinc/30/83/50/822308350.db2.gz MNNCIPIYNHHFAE-UHFFFAOYSA-N 2 0 282.348 -0.396 20 0 CBADRP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]CCO ZINC001282141511 828436303 /nfs/dbraw/zinc/43/63/03/828436303.db2.gz OKLXOUARIZVQEK-WDEREUQCSA-N 2 0 257.378 -0.054 20 0 CBADRP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)CCO ZINC001282477443 828449366 /nfs/dbraw/zinc/44/93/66/828449366.db2.gz JPEFHBZQHGEWQZ-RYUDHWBXSA-N 2 0 257.378 -0.243 20 0 CBADRP CCN1CC(CCO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001282529618 828452219 /nfs/dbraw/zinc/45/22/19/828452219.db2.gz BHMXIVUOGIWJIZ-LLVKDONJSA-N 2 0 255.362 -0.347 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCO)C1 ZINC001283052259 828492951 /nfs/dbraw/zinc/49/29/51/828492951.db2.gz NBRJWPXWYNSUIL-AVGNSLFASA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@H](CCC[NH2+]CC(N)=O)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001283189573 828505645 /nfs/dbraw/zinc/50/56/45/828505645.db2.gz AHJUFJBTYOCVPW-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(C)(C(=O)NC[C@H](CO)[NH2+]CCCO)[NH+]1CCCC1 ZINC001283792639 828549078 /nfs/dbraw/zinc/54/90/78/828549078.db2.gz MYARCHPKPRSJDJ-GFCCVEGCSA-N 2 0 287.404 -0.690 20 0 CBADRP CC(C)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283827944 828554249 /nfs/dbraw/zinc/55/42/49/828554249.db2.gz VRGWYHJNMHPHOD-NEPJUHHUSA-N 2 0 257.378 -0.339 20 0 CBADRP CC(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001283827946 828554970 /nfs/dbraw/zinc/55/49/70/828554970.db2.gz VRGWYHJNMHPHOD-RYUDHWBXSA-N 2 0 257.378 -0.339 20 0 CBADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189055181 823730867 /nfs/dbraw/zinc/73/08/67/823730867.db2.gz OJEVTDBBJGLFHS-MELADBBJSA-N 2 0 299.415 -0.522 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001189054636 823731473 /nfs/dbraw/zinc/73/14/73/823731473.db2.gz IRYAJOJEVLFWLS-NWDGAFQWSA-N 2 0 255.362 -0.537 20 0 CBADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189055166 823731763 /nfs/dbraw/zinc/73/17/63/823731763.db2.gz NXNIDOYBODVQBN-FRRDWIJNSA-N 2 0 296.415 -0.395 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001189485469 823760946 /nfs/dbraw/zinc/76/09/46/823760946.db2.gz ZAZKHIYHGODBSN-QWHCGFSZSA-N 2 0 269.389 -0.147 20 0 CBADRP COC(=O)c1cncc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c1 ZINC001191221421 823882344 /nfs/dbraw/zinc/88/23/44/823882344.db2.gz VAMIKHYXULCDPW-UHFFFAOYSA-N 2 0 293.327 -0.057 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001192161059 823952285 /nfs/dbraw/zinc/95/22/85/823952285.db2.gz GYFSIQUYONUJHM-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H](C(=O)N(C)C)[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170782 823956322 /nfs/dbraw/zinc/95/63/22/823956322.db2.gz QPUGSAXSNYMRRV-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)C(N)=O)C1 ZINC001192947029 823992724 /nfs/dbraw/zinc/99/27/24/823992724.db2.gz GODDWPKCOJBLTH-RYUDHWBXSA-N 2 0 284.404 -0.265 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@@H]2CCNC2=O)C1 ZINC001193293244 824019290 /nfs/dbraw/zinc/01/92/90/824019290.db2.gz ZFFZGDOUZNCVLW-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193766174 824044880 /nfs/dbraw/zinc/04/48/80/824044880.db2.gz PASIFUMQWNYQAZ-IJLUTSLNSA-N 2 0 285.388 -0.987 20 0 CBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193766283 824045880 /nfs/dbraw/zinc/04/58/80/824045880.db2.gz RGLVKSGRXWGINH-MGPQQGTHSA-N 2 0 299.415 -0.476 20 0 CBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805335 824046404 /nfs/dbraw/zinc/04/64/04/824046404.db2.gz LOXFUBNHQDPVME-ZIAGYGMSSA-N 2 0 299.415 -0.332 20 0 CBADRP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193892085 824049148 /nfs/dbraw/zinc/04/91/48/824049148.db2.gz DFJNOJGFCBMJFT-BFHYXJOUSA-N 2 0 299.415 -0.332 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cc(CO)ccn1 ZINC001193933489 824052002 /nfs/dbraw/zinc/05/20/02/824052002.db2.gz UCSSDSKENLDQJN-UHFFFAOYSA-N 2 0 265.317 -0.352 20 0 CBADRP CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194002609 824054998 /nfs/dbraw/zinc/05/49/98/824054998.db2.gz VLBRPWMWLNSUFW-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP C[N@H+](CCCO)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194011071 824057198 /nfs/dbraw/zinc/05/71/98/824057198.db2.gz OAZSRXFEJOOZMW-STQMWFEESA-N 2 0 269.389 -0.147 20 0 CBADRP C[N@H+](CCOCCO)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194036713 824057276 /nfs/dbraw/zinc/05/72/76/824057276.db2.gz COOGCNBJCYJSAO-CQSZACIVSA-N 2 0 299.415 -0.376 20 0 CBADRP COc1nccnc1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001195091865 824102409 /nfs/dbraw/zinc/10/24/09/824102409.db2.gz IMBNZIHEIHEFPS-UHFFFAOYSA-N 2 0 266.305 -0.440 20 0 CBADRP CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195661109 824127597 /nfs/dbraw/zinc/12/75/97/824127597.db2.gz HMLCEBUWGMWWGW-YNEHKIRRSA-N 2 0 299.415 -0.476 20 0 CBADRP CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195701939 824127606 /nfs/dbraw/zinc/12/76/06/824127606.db2.gz UTTTZWRGNLCLJX-YNEHKIRRSA-N 2 0 287.404 -0.476 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001195701250 824127819 /nfs/dbraw/zinc/12/78/19/824127819.db2.gz LFCPWKILBZURJO-VXGBXAGGSA-N 2 0 275.368 -0.151 20 0 CBADRP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195702097 824128048 /nfs/dbraw/zinc/12/80/48/824128048.db2.gz XJLQTWWPUWKANM-VXGBXAGGSA-N 2 0 273.377 -0.864 20 0 CBADRP COc1cnc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])o1 ZINC001195804010 824132748 /nfs/dbraw/zinc/13/27/48/824132748.db2.gz ZXUVFQMSNOREIB-UHFFFAOYSA-N 2 0 255.278 -0.242 20 0 CBADRP CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)OC ZINC001195859045 824133713 /nfs/dbraw/zinc/13/37/13/824133713.db2.gz COYHRSFTUSQZRA-JHJVBQTASA-N 2 0 287.404 -0.476 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O ZINC001195859048 824134428 /nfs/dbraw/zinc/13/44/28/824134428.db2.gz CRJZWEHRGOIQAW-CHWSQXEVSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001195870031 824135883 /nfs/dbraw/zinc/13/58/83/824135883.db2.gz HJHBZWIIPHSXFX-ZIAGYGMSSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001195860315 824135913 /nfs/dbraw/zinc/13/59/13/824135913.db2.gz VJFPIXXYJGCHRA-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O)[NH+](C)C ZINC001196268577 824156231 /nfs/dbraw/zinc/15/62/31/824156231.db2.gz WGGRWNGNLUKYRV-FRRDWIJNSA-N 2 0 269.389 -0.102 20 0 CBADRP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197050171 824176812 /nfs/dbraw/zinc/17/68/12/824176812.db2.gz ZKMXQEBAVMRLFD-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001197050139 824177514 /nfs/dbraw/zinc/17/75/14/824177514.db2.gz YGAFIUOEPOHAEG-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319706 824187632 /nfs/dbraw/zinc/18/76/32/824187632.db2.gz PZEGICLJFICTMY-CHWSQXEVSA-N 2 0 285.388 -0.722 20 0 CBADRP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493502 824194469 /nfs/dbraw/zinc/19/44/69/824194469.db2.gz QCCNTYYYYLETPQ-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCCN([C@H]2CCNC2=O)CC1 ZINC001197705653 824198617 /nfs/dbraw/zinc/19/86/17/824198617.db2.gz CADNWXXAVXLFSK-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001197784323 824201296 /nfs/dbraw/zinc/20/12/96/824201296.db2.gz VJEYJZZKWAFLRG-CHWSQXEVSA-N 2 0 285.388 -0.864 20 0 CBADRP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197792183 824201859 /nfs/dbraw/zinc/20/18/59/824201859.db2.gz MEDIFWKQYCBFDC-VXGBXAGGSA-N 2 0 273.377 -0.864 20 0 CBADRP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819652 824203648 /nfs/dbraw/zinc/20/36/48/824203648.db2.gz IQFHHOSDQYIHKV-CHWSQXEVSA-N 2 0 297.399 -0.720 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197832504 824205095 /nfs/dbraw/zinc/20/50/95/824205095.db2.gz LKIGLRFKZIGTNA-UHFFFAOYSA-N 2 0 287.404 -0.255 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCCN([C@@H](C)C(N)=O)CC1 ZINC001197914558 824208163 /nfs/dbraw/zinc/20/81/63/824208163.db2.gz WJNUGOUHLRNIJK-LBPRGKRZSA-N 2 0 284.404 -0.264 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCF)C[C@H]1O ZINC001198020370 824213382 /nfs/dbraw/zinc/21/33/82/824213382.db2.gz LINZMLABTYDELA-VXGBXAGGSA-N 2 0 275.368 -0.151 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCC)C[C@H]1O ZINC001198046880 824216745 /nfs/dbraw/zinc/21/67/45/824216745.db2.gz IANLZOJVVQCECA-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H](O)C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001284854944 828624234 /nfs/dbraw/zinc/62/42/34/828624234.db2.gz SEELEAKNNVWCJZ-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@H](O)C[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001284854945 828624953 /nfs/dbraw/zinc/62/49/53/828624953.db2.gz SEELEAKNNVWCJZ-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023338 824246758 /nfs/dbraw/zinc/24/67/58/824246758.db2.gz FSJOJYAYIBUNMF-BFHYXJOUSA-N 2 0 299.415 -0.596 20 0 CBADRP CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001199787532 824287945 /nfs/dbraw/zinc/28/79/45/824287945.db2.gz ARUMDCXQACXJCS-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP CN1CCO[C@@H](C(=O)N2CCC([NH2+]CCCO)CC2)C1 ZINC001199944140 824296398 /nfs/dbraw/zinc/29/63/98/824296398.db2.gz WGZAOWYZTWGKFY-CYBMUJFWSA-N 2 0 285.388 -0.720 20 0 CBADRP CO[C@H](C)C[NH2+]C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC001199942939 824296753 /nfs/dbraw/zinc/29/67/53/824296753.db2.gz BNHSTNZBFKGGON-TZMCWYRMSA-N 2 0 299.415 -0.068 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001200122886 824308053 /nfs/dbraw/zinc/30/80/53/824308053.db2.gz JLBQULVTTKIIPD-QWHCGFSZSA-N 2 0 285.388 -0.720 20 0 CBADRP CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200637584 824323367 /nfs/dbraw/zinc/32/33/67/824323367.db2.gz ZFYJAKZBDOMLFD-DGCLKSJQSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001201268345 824330007 /nfs/dbraw/zinc/33/00/07/824330007.db2.gz XYPPUCKJSVZBRF-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP COCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201316542 824330760 /nfs/dbraw/zinc/33/07/60/824330760.db2.gz CAZRHIUKNRORSG-CYBMUJFWSA-N 2 0 287.404 -0.208 20 0 CBADRP C[NH+](C)CCC(=O)N1CCCO[C@@H](C[NH2+]CCCO)C1 ZINC001201319024 824330868 /nfs/dbraw/zinc/33/08/68/824330868.db2.gz QPMZEMKJBGEFSB-ZDUSSCGKSA-N 2 0 287.404 -0.472 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CCCO[C@H](C[NH2+]CCO)C2)C1 ZINC001201402087 824331880 /nfs/dbraw/zinc/33/18/80/824331880.db2.gz ANIXLXYIRZGBBM-UONOGXRCSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201404317 824331957 /nfs/dbraw/zinc/33/19/57/824331957.db2.gz UMIXQRVCDSAKLD-KGLIPLIRSA-N 2 0 299.415 -0.330 20 0 CBADRP O=C(N1CCCO[C@H](C[NH2+]CCO)C1)C12CC[NH+](CC1)C2 ZINC001201873574 824337962 /nfs/dbraw/zinc/33/79/62/824337962.db2.gz XMOMDDVVGSXVMY-CYBMUJFWSA-N 2 0 297.399 -0.718 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202060191 824341499 /nfs/dbraw/zinc/34/14/99/824341499.db2.gz UMRUEFCXFRQXSS-ZIAGYGMSSA-N 2 0 299.415 -0.330 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC([NH2+]CCCO)CC1 ZINC001202330872 824346700 /nfs/dbraw/zinc/34/67/00/824346700.db2.gz KCYGSPDCGQXUEZ-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP C[C@H](O)C[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202316270 824346757 /nfs/dbraw/zinc/34/67/57/824346757.db2.gz TXMYFEFGCHIZPC-NSHDSACASA-N 2 0 257.378 -0.101 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC001202990908 824356312 /nfs/dbraw/zinc/35/63/12/824356312.db2.gz FVCKTDLWMLBVFR-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC001203203136 824360220 /nfs/dbraw/zinc/36/02/20/824360220.db2.gz HCMAQBLEPAXJLR-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH+](C)CCOCC(=O)N1CCC([NH2+]CCCO)CC1 ZINC001203331123 824361862 /nfs/dbraw/zinc/36/18/62/824361862.db2.gz ZSBJVRBBEXQGSF-UHFFFAOYSA-N 2 0 287.404 -0.472 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203714875 824362707 /nfs/dbraw/zinc/36/27/07/824362707.db2.gz UIELCCFAWPFXLS-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203699698 824362793 /nfs/dbraw/zinc/36/27/93/824362793.db2.gz PYBSZLJFLXFZRO-TZMCWYRMSA-N 2 0 299.415 -0.474 20 0 CBADRP CC1(C)O[C@H]([C@H](O)CO)[C@H](C[NH+]2CCC(C[NH3+])CC2)O1 ZINC001205026134 824373459 /nfs/dbraw/zinc/37/34/59/824373459.db2.gz KTOLMSXHEJEUIS-FRRDWIJNSA-N 2 0 288.388 -0.470 20 0 CBADRP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205221404 824376696 /nfs/dbraw/zinc/37/66/96/824376696.db2.gz ULHNZLQLAPFAIU-ZDUSSCGKSA-N 2 0 282.344 -0.128 20 0 CBADRP [NH3+]C[C@@]1(O)CCCC[N@H+](CC[C@@H]2C[NH2+]CCO2)C1 ZINC001205665820 824380961 /nfs/dbraw/zinc/38/09/61/824380961.db2.gz VXVWEYCXTYNTLN-OLZOCXBDSA-N 3 0 257.378 -0.459 20 0 CBADRP CS(=O)(=O)N1CCC(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001205947032 824390031 /nfs/dbraw/zinc/39/00/31/824390031.db2.gz VFVXTUDIXFPDQQ-VXGBXAGGSA-N 2 0 291.417 -0.948 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206281079 824396108 /nfs/dbraw/zinc/39/61/08/824396108.db2.gz AFRLOGKZNGZZCO-DGCLKSJQSA-N 2 0 296.415 -0.502 20 0 CBADRP C[C@@H]1CNCC(F)(F)[C@H]1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206511808 824401626 /nfs/dbraw/zinc/40/16/26/824401626.db2.gz CCNQUQABKPVGPQ-RCWTZXSCSA-N 2 0 263.332 -0.271 20 0 CBADRP CC(=O)N1CCC[C@@H](C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001206512584 824402007 /nfs/dbraw/zinc/40/20/07/824402007.db2.gz PWVFTHPAVSFCHQ-AVGNSLFASA-N 2 0 255.362 -0.504 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]CCO)CC2)C1 ZINC001206928995 824413196 /nfs/dbraw/zinc/41/31/96/824413196.db2.gz PWDQGSIDVUJFMQ-CYBMUJFWSA-N 2 0 269.389 -0.241 20 0 CBADRP C[NH+]1CCC(C[NH+]2CCN(CC(N)=O)CC2)CC1 ZINC001207398641 824426796 /nfs/dbraw/zinc/42/67/96/824426796.db2.gz FIIGQLUDSRKFPC-UHFFFAOYSA-N 2 0 254.378 -0.569 20 0 CBADRP CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207437116 824428166 /nfs/dbraw/zinc/42/81/66/824428166.db2.gz OWSJXSZNMLMZHH-OAHLLOKOSA-N 2 0 294.399 -0.591 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1C)[NH+](C)C ZINC001207698326 824435047 /nfs/dbraw/zinc/43/50/47/824435047.db2.gz YYQWCCGWAXACEL-IJLUTSLNSA-N 2 0 257.378 -0.245 20 0 CBADRP C[NH+]1CCC(C)(C[N@@H+]2CCO[C@@H](C(N)=O)C2)CC1 ZINC001208110153 824446522 /nfs/dbraw/zinc/44/65/22/824446522.db2.gz WRIZTPWYDZHMNF-LLVKDONJSA-N 2 0 255.362 -0.096 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001208335674 824450582 /nfs/dbraw/zinc/45/05/82/824450582.db2.gz XYNLMJOXNMYGPB-OCCSQVGLSA-N 2 0 296.415 -0.347 20 0 CBADRP COC(=O)[C@@H](C)C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001208720794 824457671 /nfs/dbraw/zinc/45/76/71/824457671.db2.gz LZQWQCWEAUBLLA-LBPRGKRZSA-N 2 0 285.388 -0.109 20 0 CBADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001209303512 824469021 /nfs/dbraw/zinc/46/90/21/824469021.db2.gz KUAFPYVXFIYZOB-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001209444238 824470980 /nfs/dbraw/zinc/47/09/80/824470980.db2.gz DZOMJNYYTIHWFQ-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209408248 824471059 /nfs/dbraw/zinc/47/10/59/824471059.db2.gz JONRLSYMJNWZBY-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209408249 824471252 /nfs/dbraw/zinc/47/12/52/824471252.db2.gz JONRLSYMJNWZBY-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001209453822 824471867 /nfs/dbraw/zinc/47/18/67/824471867.db2.gz DOZIVWCDMOUZES-CYBMUJFWSA-N 2 0 294.403 -0.190 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001209445380 824472272 /nfs/dbraw/zinc/47/22/72/824472272.db2.gz MKEPUZUFFXBDPM-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001210217676 824478389 /nfs/dbraw/zinc/47/83/89/824478389.db2.gz LACUKRGZPQPNGP-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348434 824511153 /nfs/dbraw/zinc/51/11/53/824511153.db2.gz MDIHTRHEQLBRTD-YNEHKIRRSA-N 2 0 287.404 -0.476 20 0 CBADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747801 824514442 /nfs/dbraw/zinc/51/44/42/824514442.db2.gz RKZRADUCEAQVOV-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](C)O)C[C@H]1OC ZINC001213678491 824514770 /nfs/dbraw/zinc/51/47/70/824514770.db2.gz YTFWVTMIHRGRPE-JHJVBQTASA-N 2 0 287.404 -0.476 20 0 CBADRP COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213857710 824515863 /nfs/dbraw/zinc/51/58/63/824515863.db2.gz TYQNSDXCGLKQBG-BFHYXJOUSA-N 2 0 299.415 -0.210 20 0 CBADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921735 824517236 /nfs/dbraw/zinc/51/72/36/824517236.db2.gz JCJHXZVATQVQIR-ZIAGYGMSSA-N 2 0 299.415 -0.330 20 0 CBADRP CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929689 824517837 /nfs/dbraw/zinc/51/78/37/824517837.db2.gz HLFBVXNVAGMCLM-JHJVBQTASA-N 2 0 287.404 -0.477 20 0 CBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001215421612 824541849 /nfs/dbraw/zinc/54/18/49/824541849.db2.gz IOMYSJWDAQZQEB-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001215571386 824543216 /nfs/dbraw/zinc/54/32/16/824543216.db2.gz MUAKZZBDQRNDEZ-UTUOFQBUSA-N 2 0 284.404 -0.491 20 0 CBADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CC(N)=O ZINC001216834743 824548783 /nfs/dbraw/zinc/54/87/83/824548783.db2.gz VYWMPIXNNIZNDN-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216851884 824550667 /nfs/dbraw/zinc/55/06/67/824550667.db2.gz KAOIZTYEGYDLQB-VXGBXAGGSA-N 2 0 284.404 -0.491 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001216852084 824551084 /nfs/dbraw/zinc/55/10/84/824551084.db2.gz OFKINYBFBZGSMC-CHWSQXEVSA-N 2 0 298.431 -0.149 20 0 CBADRP C(O[C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217793053 824559923 /nfs/dbraw/zinc/55/99/23/824559923.db2.gz LXYQSCXORSBSQD-CYDGBPFRSA-N 2 0 268.357 -0.099 20 0 CBADRP C(O[C@@H]1C[NH2+]CCOC1)[C@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217785406 824560591 /nfs/dbraw/zinc/56/05/91/824560591.db2.gz KWYUPARNDRHAJA-LOWDOPEQSA-N 2 0 256.346 -0.242 20 0 CBADRP C(O[C@@H]1CN2C[C@H]1[NH2+]CC2)[C@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217804609 824562753 /nfs/dbraw/zinc/56/27/53/824562753.db2.gz QMNDRDIMSCFGBQ-MQLXINIDSA-N 2 0 267.373 -0.574 20 0 CBADRP C(O[C@@H]1CN2C[C@H]1[NH2+]CC2)[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217804612 824562851 /nfs/dbraw/zinc/56/28/51/824562851.db2.gz QMNDRDIMSCFGBQ-XHJNMGKDSA-N 2 0 267.373 -0.574 20 0 CBADRP NC(=O)[C@@H]([NH3+])Cc1ccc(OCCO[C@H]2CC[NH2+]C2)cc1 ZINC001218395355 824567442 /nfs/dbraw/zinc/56/74/42/824567442.db2.gz UUQMWHHSJLKSKY-KBPBESRZSA-N 2 0 293.367 -0.201 20 0 CBADRP Cc1cnc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)nc1C ZINC001218497829 824570610 /nfs/dbraw/zinc/57/06/10/824570610.db2.gz VBMASSOVZQPBFA-LBPRGKRZSA-N 2 0 292.387 -0.218 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(Cl)nn1 ZINC001218509382 824574831 /nfs/dbraw/zinc/57/48/31/824574831.db2.gz ZCYMRYOJKFPAAB-SECBINFHSA-N 2 0 298.778 -0.181 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(Cl)nn1 ZINC001218509397 824575875 /nfs/dbraw/zinc/57/58/75/824575875.db2.gz ZCYMRYOJKFPAAB-VIFPVBQESA-N 2 0 298.778 -0.181 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC001218512170 824577444 /nfs/dbraw/zinc/57/74/44/824577444.db2.gz YVCZNRUVZPHKDD-BYPYZUCNSA-N 2 0 298.294 -0.219 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ncnc2n[nH]nc21 ZINC001218516269 824578944 /nfs/dbraw/zinc/57/89/44/824578944.db2.gz XRQHHYWMPFXOFS-ZETCQYMHSA-N 2 0 278.320 -0.597 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cc(C2CC2)[nH]n1 ZINC001218522002 824581461 /nfs/dbraw/zinc/58/14/61/824581461.db2.gz WJVKPIXQXQPJCB-NSHDSACASA-N 2 0 292.387 -0.024 20 0 CBADRP O=C(Nc1n[nH]c(-c2ccncc2)n1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218522206 824582695 /nfs/dbraw/zinc/58/26/95/824582695.db2.gz DZWYGXOCQMAABN-SNVBAGLBSA-N 2 0 299.338 -0.386 20 0 CBADRP N[C@@H](C[NH3+])C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218532806 824585530 /nfs/dbraw/zinc/58/55/30/824585530.db2.gz KBCXAPZPPWBBKY-RITPCOANSA-N 2 0 255.347 -0.816 20 0 CBADRP [NH3+][C@H]1CCc2nc(NC(=O)[C@H]3C[NH2+]CCN3)sc2C1 ZINC001218535073 824585575 /nfs/dbraw/zinc/58/55/75/824585575.db2.gz WNJBQOPLUVUJBH-IONNQARKSA-N 2 0 281.385 -0.541 20 0 CBADRP [NH3+][C@@H]1CCc2nc(NC(=O)[C@@H]3C[NH2+]C[C@@H]3O)sc2C1 ZINC001218535004 824585662 /nfs/dbraw/zinc/58/56/62/824585662.db2.gz VWHYJJCRTJGXQP-BHNWBGBOSA-N 2 0 282.369 -0.522 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218532369 824585856 /nfs/dbraw/zinc/58/58/56/824585856.db2.gz FXOWYYJEOGTYBF-HTQZYQBOSA-N 3 0 283.401 -0.036 20 0 CBADRP N=c1scc(N)n1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218539906 824587080 /nfs/dbraw/zinc/58/70/80/824587080.db2.gz AIAQJCJCEMNUAR-LURJTMIESA-N 2 0 253.331 -0.940 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cccnc1F ZINC001218544997 824588237 /nfs/dbraw/zinc/58/82/37/824588237.db2.gz ROSZYGQSJDYFCY-JTQLQIEISA-N 2 0 281.335 -0.090 20 0 CBADRP Cc1noc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])c1C(N)=O ZINC001218551212 824589113 /nfs/dbraw/zinc/58/91/13/824589113.db2.gz JCNFDPDMYMPGIH-QMMMGPOBSA-N 2 0 283.332 -0.133 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001218557927 824590711 /nfs/dbraw/zinc/59/07/11/824590711.db2.gz NLLWJUKWCACYKG-UONOGXRCSA-N 2 0 299.415 -0.378 20 0 CBADRP CCOC(=O)c1[nH]cnc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218560235 824591157 /nfs/dbraw/zinc/59/11/57/824591157.db2.gz VVDVNTSFZNJCNB-MRVPVSSYSA-N 2 0 293.327 -0.666 20 0 CBADRP [NH3+][C@H](C(=O)Nc1[nH]nc2nccnc21)C1CC[NH2+]CC1 ZINC001218568648 824594069 /nfs/dbraw/zinc/59/40/69/824594069.db2.gz RAQSTMVBRDSYEQ-QMMMGPOBSA-N 2 0 275.316 -0.430 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cncc(O)c1 ZINC001218573437 824595996 /nfs/dbraw/zinc/59/59/96/824595996.db2.gz FFBSJKQSYNSPCU-GFCCVEGCSA-N 2 0 279.344 -0.524 20 0 CBADRP CC(=O)Nc1cc(NC(=O)[C@@H]([NH3+])CCC[NH3+])ncn1 ZINC001218611464 824603086 /nfs/dbraw/zinc/60/30/86/824603086.db2.gz XZLVAWJROKJPFH-QMMMGPOBSA-N 2 0 266.305 -0.560 20 0 CBADRP COC(=O)Cn1cc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])cn1 ZINC001218611490 824603168 /nfs/dbraw/zinc/60/31/68/824603168.db2.gz YXJFYKKXWTYWCP-JTQLQIEISA-N 2 0 297.359 -0.159 20 0 CBADRP CC(=O)Nc1cc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)ncn1 ZINC001218611502 824603708 /nfs/dbraw/zinc/60/37/08/824603708.db2.gz ZHBJQLPGJHJDTJ-LBPRGKRZSA-N 2 0 292.343 -0.300 20 0 CBADRP Cn1cncc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218622895 824606608 /nfs/dbraw/zinc/60/66/08/824606608.db2.gz YKZUFBFXBMIMHA-SNVBAGLBSA-N 2 0 266.349 -0.891 20 0 CBADRP Cc1ncc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)nc1C ZINC001218624481 824607289 /nfs/dbraw/zinc/60/72/89/824607289.db2.gz JXKQGOVBVAUWTQ-LBPRGKRZSA-N 2 0 292.387 -0.218 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)c1nccnc1N ZINC001218623814 824607639 /nfs/dbraw/zinc/60/76/39/824607639.db2.gz SDDWZRQKRRBTDS-VIFPVBQESA-N 2 0 264.333 -0.652 20 0 CBADRP Cn1cc(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)nn1 ZINC001218628683 824608676 /nfs/dbraw/zinc/60/86/76/824608676.db2.gz MBYVTZQRWRHSCD-VIFPVBQESA-N 2 0 264.333 -0.372 20 0 CBADRP CCOC(=O)c1cc(NC(=O)[C@H]([NH3+])CCC[NH3+])n(C)n1 ZINC001218637418 824611912 /nfs/dbraw/zinc/61/19/12/824611912.db2.gz WGCVYTLQOYHWKZ-MRVPVSSYSA-N 2 0 283.332 -0.399 20 0 CBADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)C1CC2(C[NH2+]C2)C1 ZINC001218641769 824612303 /nfs/dbraw/zinc/61/23/03/824612303.db2.gz UDXPRGIXXBUCCI-UHFFFAOYSA-N 2 0 261.329 -0.035 20 0 CBADRP N[C@@]1(C(=O)Nc2cnn(C3C[NH2+]C3)c2)CCC[NH2+]C1 ZINC001218641784 824612769 /nfs/dbraw/zinc/61/27/69/824612769.db2.gz VBSJRVMIHZCKFK-LBPRGKRZSA-N 2 0 264.333 -0.953 20 0 CBADRP Cc1nc(Cl)c(N)c(=N)n1C(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001218641960 824612816 /nfs/dbraw/zinc/61/28/16/824612816.db2.gz LBKAVEXAVAZPTH-RITPCOANSA-N 2 0 270.724 -0.764 20 0 CBADRP CCc1nccnc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218645379 824613953 /nfs/dbraw/zinc/61/39/53/824613953.db2.gz GYZSACXGTUOQLX-LLVKDONJSA-N 2 0 292.387 -0.272 20 0 CBADRP CCc1nccnc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218646807 824614374 /nfs/dbraw/zinc/61/43/74/824614374.db2.gz SCWZXBZCZHOLPM-SECBINFHSA-N 2 0 261.329 -0.214 20 0 CBADRP O=C(Nc1cn[nH]c(=O)c1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218651626 824616047 /nfs/dbraw/zinc/61/60/47/824616047.db2.gz CKLIMRSWAMRKHK-PRHODGIISA-N 2 0 263.301 -0.680 20 0 CBADRP [NH3+][C@H](C(=O)Nc1cn[nH]c(=O)c1)C1CC[NH2+]CC1 ZINC001218652984 824617152 /nfs/dbraw/zinc/61/71/52/824617152.db2.gz UDLZSHVJJKNBCQ-JTQLQIEISA-N 2 0 251.290 -0.552 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)Nc1ccn2cnnc2c1 ZINC001218657578 824618284 /nfs/dbraw/zinc/61/82/84/824618284.db2.gz OIANPSAJRGHFTD-JTQLQIEISA-N 2 0 271.284 -0.039 20 0 CBADRP O=C(Nc1ccn2cnnc2c1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218657755 824618308 /nfs/dbraw/zinc/61/83/08/824618308.db2.gz RRCCKQNKJDHDQH-QMTHXVAHSA-N 2 0 286.339 -0.133 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1[nH]c(=O)[nH]c(=O)c1N=O ZINC001218672824 824620182 /nfs/dbraw/zinc/62/01/82/824620182.db2.gz ZCIHYPGERUJDIP-BYPYZUCNSA-N 2 0 270.249 -0.710 20 0 CBADRP Cc1ncn(C)c1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218697345 824622492 /nfs/dbraw/zinc/62/24/92/824622492.db2.gz AYICOUQWKFLWBK-QMMMGPOBSA-N 2 0 257.363 -0.314 20 0 CBADRP Cn1nncc1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218700220 824623271 /nfs/dbraw/zinc/62/32/71/824623271.db2.gz NRDYXYBCXAUYLO-VIFPVBQESA-N 2 0 264.333 -0.372 20 0 CBADRP NC(=O)c1cnoc1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218702292 824624796 /nfs/dbraw/zinc/62/47/96/824624796.db2.gz NQSQIXANOWTTOD-SECBINFHSA-N 2 0 293.327 -0.414 20 0 CBADRP COCn1cc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)cn1 ZINC001218701573 824624928 /nfs/dbraw/zinc/62/49/28/824624928.db2.gz WFMAOUNNGFJPRD-ZWNOBZJWSA-N 2 0 279.344 -0.375 20 0 CBADRP NC(=O)c1cnoc1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001218702474 824625023 /nfs/dbraw/zinc/62/50/23/824625023.db2.gz QWZFFIYRSOQRQX-ZETCQYMHSA-N 2 0 269.305 -0.442 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)Nc1cncc(C[NH3+])c1 ZINC001218705336 824626528 /nfs/dbraw/zinc/62/65/28/824626528.db2.gz OFMFTGDJVYWXJP-LBPRGKRZSA-N 2 0 293.371 -0.032 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)Nc1cncc(C[NH3+])c1 ZINC001218705490 824626606 /nfs/dbraw/zinc/62/66/06/824626606.db2.gz RANMSGHFNHJZLW-YPMLDQLKSA-N 2 0 270.358 -0.425 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1 ZINC001218710227 824626731 /nfs/dbraw/zinc/62/67/31/824626731.db2.gz GOANDIZQJFEPPA-SFYZADRCSA-N 2 0 254.290 -0.253 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)Nc2cc([C@H]3CCC[NH2+]3)no2)C1 ZINC001218713934 824627098 /nfs/dbraw/zinc/62/70/98/824627098.db2.gz VADRNDBXVUNUTI-MRTMQBJTSA-N 2 0 265.317 -0.273 20 0 CBADRP O=C(Nc1cc([C@@H]2CCC[NH2+]2)no1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001218713485 824627497 /nfs/dbraw/zinc/62/74/97/824627497.db2.gz RZSPCVPJTHBEMO-NRPADANISA-N 2 0 266.301 -0.240 20 0 CBADRP O=C(Nc1cc([C@@H]2CCC[NH2+]2)no1)[C@H]1[NH2+]CC[C@H]1O ZINC001218710262 824627588 /nfs/dbraw/zinc/62/75/88/824627588.db2.gz DLPMJDTZVYJHIO-NMLBEHRDSA-N 2 0 266.301 -0.240 20 0 CBADRP N[C@]1(C(=O)Nc2cc([C@H]3CCC[NH2+]3)no2)CC[NH2+]C1 ZINC001218714296 824628140 /nfs/dbraw/zinc/62/81/40/824628140.db2.gz XIJSROYOUFYSRK-PRHODGIISA-N 2 0 265.317 -0.272 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc([C@H]2CCC[NH2+]2)no1 ZINC001218713661 824628146 /nfs/dbraw/zinc/62/81/46/824628146.db2.gz UIBXBNUOHKFSRK-XHNCKOQMSA-N 2 0 265.317 -0.416 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218727474 824629374 /nfs/dbraw/zinc/62/93/74/824629374.db2.gz YYKQIZOIINASAN-WDEREUQCSA-N 2 0 280.328 -0.530 20 0 CBADRP CCN=c1ccc(N)cn1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218741009 824629880 /nfs/dbraw/zinc/62/98/80/824629880.db2.gz HNOSDKURKQVVBV-IAQYHMDHSA-N 2 0 289.383 -0.170 20 0 CBADRP CCN=c1ncc(N)cn1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218739363 824629945 /nfs/dbraw/zinc/62/99/45/824629945.db2.gz CDQOSWCHYLOJIR-JTQLQIEISA-N 2 0 266.349 -0.518 20 0 CBADRP CCN=c1ccc(N)cn1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218742380 824631902 /nfs/dbraw/zinc/63/19/02/824631902.db2.gz XLGGZOOHDVPZDJ-ZDUSSCGKSA-N 2 0 277.372 -0.042 20 0 CBADRP Cc1cnn(CCO)c1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218749624 824633233 /nfs/dbraw/zinc/63/32/33/824633233.db2.gz GIGYGKDLOUCMCQ-JTQLQIEISA-N 2 0 269.349 -0.421 20 0 CBADRP Cc1cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n(CCF)n1 ZINC001218743780 824633402 /nfs/dbraw/zinc/63/34/02/824633402.db2.gz NRWKWEDVCJRHLK-SNVBAGLBSA-N 2 0 281.335 -0.091 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1cncc(N2CCOCC2)c1 ZINC001218746880 824633602 /nfs/dbraw/zinc/63/36/02/824633602.db2.gz QFPZGGHHZQKEQT-ZDUSSCGKSA-N 2 0 293.371 -0.077 20 0 CBADRP COc1cc(OC)c(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cn1 ZINC001218760231 824634243 /nfs/dbraw/zinc/63/42/43/824634243.db2.gz VJZNDISYVXPHFY-VIFPVBQESA-N 2 0 292.339 -0.154 20 0 CBADRP CCOC(=O)c1nc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c[nH]1 ZINC001218765460 824635564 /nfs/dbraw/zinc/63/55/64/824635564.db2.gz UBHZEWQWROADON-SNVBAGLBSA-N 2 0 295.343 -0.148 20 0 CBADRP CNC(=O)c1cccnc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218763769 824636466 /nfs/dbraw/zinc/63/64/66/824636466.db2.gz DQIXOYDFOLPBHU-VIFPVBQESA-N 2 0 297.384 -0.601 20 0 CBADRP CCOC(=O)c1nc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c[nH]1 ZINC001218765549 824636578 /nfs/dbraw/zinc/63/65/78/824636578.db2.gz VNFWVRQIUNRATL-QMMMGPOBSA-N 2 0 283.332 -0.019 20 0 CBADRP Cc1cncnc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218792393 824638468 /nfs/dbraw/zinc/63/84/68/824638468.db2.gz JNZLRIZQGQOHCR-NSHDSACASA-N 2 0 278.360 -0.526 20 0 CBADRP COC(=O)c1ccc(OC)nc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218790735 824638819 /nfs/dbraw/zinc/63/88/19/824638819.db2.gz QWULQNKQGMVTTF-VIFPVBQESA-N 2 0 296.327 -0.119 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1cnn2c1OCCC2 ZINC001218794244 824640377 /nfs/dbraw/zinc/64/03/77/824640377.db2.gz OPIPUIKWHDCQIK-MRVPVSSYSA-N 2 0 253.306 -0.330 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1cnn2c1OCCC2 ZINC001218794631 824640461 /nfs/dbraw/zinc/64/04/61/824640461.db2.gz SEMMNERRPMKJKI-QMMMGPOBSA-N 2 0 285.373 -0.377 20 0 CBADRP Cn1nnc2cc(NC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)ccc21 ZINC001218876964 824644651 /nfs/dbraw/zinc/64/46/51/824644651.db2.gz DRTGYEGWLCMAFX-JTQLQIEISA-N 2 0 286.339 -0.284 20 0 CBADRP Nc1ccc(COCCO)c(NC(=O)[C@H]([NH3+])CCC[NH3+])c1 ZINC001218916902 824647394 /nfs/dbraw/zinc/64/73/94/824647394.db2.gz DJRYRDFWPYMDMN-GFCCVEGCSA-N 2 0 296.371 -0.218 20 0 CBADRP Nc1ccc(NC(=O)[C@@H]([NH3+])CCC[NH3+])c(CCO)c1 ZINC001218919843 824648322 /nfs/dbraw/zinc/64/83/22/824648322.db2.gz SAVXRDHRAXROCN-NSHDSACASA-N 2 0 266.345 -0.192 20 0 CBADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1[NH2+]CC[C@@H]1O ZINC001219029463 824654762 /nfs/dbraw/zinc/65/47/62/824654762.db2.gz ACEQQOMBNYRSAV-AAEUAGOBSA-N 2 0 277.324 -0.170 20 0 CBADRP N=c1c2cc(N)ccc2on1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219136950 824666386 /nfs/dbraw/zinc/66/63/86/824666386.db2.gz XPYNZVKWIKDMDG-SNVBAGLBSA-N 2 0 287.323 -0.255 20 0 CBADRP NC(=O)c1cc(O)cc(NC(=O)[C@H]([NH3+])CCC[NH3+])c1 ZINC001219442021 824709879 /nfs/dbraw/zinc/70/98/79/824709879.db2.gz ZPTZHXVVJWVYDN-SNVBAGLBSA-N 2 0 266.301 -0.504 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219537298 824723324 /nfs/dbraw/zinc/72/33/24/824723324.db2.gz KVYALGNBGUKSLX-AUTRQRHGSA-N 2 0 276.340 -0.251 20 0 CBADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)[C@@H]1C[NH2+]CCN1 ZINC001219537322 824723520 /nfs/dbraw/zinc/72/35/20/824723520.db2.gz KZCFOMATUSEBNO-SUZMYJTESA-N 2 0 288.351 -0.366 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219537300 824723591 /nfs/dbraw/zinc/72/35/91/824723591.db2.gz KVYALGNBGUKSLX-PTRXPTGYSA-N 2 0 276.340 -0.251 20 0 CBADRP CC(C)[C@H](C)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219554277 824727160 /nfs/dbraw/zinc/72/71/60/824727160.db2.gz ZDVBBEIAANDKNZ-JQWIXIFHSA-N 2 0 256.394 -0.103 20 0 CBADRP O=C(NCC(F)(F)F)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219554043 824728142 /nfs/dbraw/zinc/72/81/42/824728142.db2.gz STTDNUZXHYWJLJ-VXNVDRBHSA-N 2 0 251.252 -0.136 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@H](CC(C)C)NC(=O)C[NH3+] ZINC001219555808 824728946 /nfs/dbraw/zinc/72/89/46/824728946.db2.gz SRQVLKPYDUQVHQ-LBPRGKRZSA-N 2 0 286.420 -0.066 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC3(C[NH2+]C3)O2)C[NH2+]1 ZINC001219583134 824736731 /nfs/dbraw/zinc/73/67/31/824736731.db2.gz PNQKPMNGKFIGGS-DCAQKATOSA-N 2 0 253.346 -0.236 20 0 CBADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219587189 824738136 /nfs/dbraw/zinc/73/81/36/824738136.db2.gz VCYIYBRTLHEZER-XKNYDFJKSA-N 2 0 256.350 -0.905 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)c2n[nH]c3c2CC[NH2+]C3)C[NH2+]1 ZINC001219593615 824739075 /nfs/dbraw/zinc/73/90/75/824739075.db2.gz ABCUAVPBNIMIET-IUCAKERBSA-N 2 0 263.345 -0.074 20 0 CBADRP Cc1cnc(CCNC(=O)[C@H]([NH3+])CCC[NH3+])nc1 ZINC001219600936 824741380 /nfs/dbraw/zinc/74/13/80/824741380.db2.gz JDTOMPFRQDAKHO-SNVBAGLBSA-N 2 0 251.334 -0.490 20 0 CBADRP Cc1cnc(CCNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)nc1 ZINC001219600705 824741507 /nfs/dbraw/zinc/74/15/07/824741507.db2.gz DDPTTXZBIWDEAE-LLVKDONJSA-N 2 0 275.356 -0.747 20 0 CBADRP Cc1cc(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])no1 ZINC001219604020 824849680 /nfs/dbraw/zinc/84/96/80/824849680.db2.gz HZRFKTVYNRLHCJ-VIFPVBQESA-N 2 0 258.347 -0.382 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@H](O)c1ccco1 ZINC001219604231 824849986 /nfs/dbraw/zinc/84/99/86/824849986.db2.gz LECMNFCTZMOCPE-UWVGGRQHSA-N 2 0 255.318 -0.115 20 0 CBADRP Cc1cc(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)no1 ZINC001219604184 824851458 /nfs/dbraw/zinc/85/14/58/824851458.db2.gz KINUBISMMWQVIM-GFCCVEGCSA-N 2 0 281.360 -0.650 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219610611 824854875 /nfs/dbraw/zinc/85/48/75/824854875.db2.gz POBQJEYHPNUSHS-POYBYMJQSA-N 2 0 254.256 -0.927 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)N[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC001219614318 824854984 /nfs/dbraw/zinc/85/49/84/824854984.db2.gz WZXDHNKKBUNVSU-ACLDMZEESA-N 2 0 266.267 -0.914 20 0 CBADRP C[C@@H]1CCC[NH2+][C@@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617372 824857570 /nfs/dbraw/zinc/85/75/70/824857570.db2.gz LVQAVUBXXHVLOT-MPPDQPJWSA-N 2 0 273.352 -0.447 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219618100 824858303 /nfs/dbraw/zinc/85/83/03/824858303.db2.gz UMUHAYQBYOROJE-NTZNESFSSA-N 2 0 273.352 -0.351 20 0 CBADRP [NH3+][C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219621581 824860916 /nfs/dbraw/zinc/86/09/16/824860916.db2.gz DOONMUHHWZCIRV-BVYKIOSNSA-N 2 0 285.363 -0.462 20 0 CBADRP CC(C)C[C@H](CO)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219630300 824865098 /nfs/dbraw/zinc/86/50/98/824865098.db2.gz AEGIADVRIQUYBX-YRGRVCCFSA-N 2 0 269.389 -0.291 20 0 CBADRP CC(C)C[C@H](CO)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219630392 824865569 /nfs/dbraw/zinc/86/55/69/824865569.db2.gz BUGMTQAZVBGDCZ-OLZOCXBDSA-N 2 0 286.420 -0.740 20 0 CBADRP CC(C)C[C@H](CO)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219631259 824866173 /nfs/dbraw/zinc/86/61/73/824866173.db2.gz UUJGJRKACVVZSU-MNOVXSKESA-N 2 0 255.362 -0.681 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@]23C[NH2+][C@@H](CO2)C3)C1 ZINC001219640821 824867479 /nfs/dbraw/zinc/86/74/79/824867479.db2.gz CGFLHCYMMFVTRB-LSCVPOLPSA-N 2 0 253.346 -0.521 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001219635719 824867520 /nfs/dbraw/zinc/86/75/20/824867520.db2.gz OSWVGWFOXGUNLW-UHFZAUJKSA-N 2 0 271.336 -0.430 20 0 CBADRP CC[C@H](C)[C@@H](CO)NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001219882887 824909073 /nfs/dbraw/zinc/90/90/73/824909073.db2.gz POKLHCZPZCEEGG-MVWJERBFSA-N 2 0 257.378 -0.164 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219635401 824868902 /nfs/dbraw/zinc/86/89/02/824868902.db2.gz FMKXXIUXVNNSMG-SRVKXCTJSA-N 3 0 284.379 -0.323 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219636194 824869019 /nfs/dbraw/zinc/86/90/19/824869019.db2.gz WXUXREQKLQCFFA-DCAQKATOSA-N 3 0 260.357 -0.351 20 0 CBADRP CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001219882888 824909517 /nfs/dbraw/zinc/90/95/17/824909517.db2.gz POKLHCZPZCEEGG-WCQGTBRESA-N 2 0 257.378 -0.164 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219642349 824869594 /nfs/dbraw/zinc/86/95/94/824869594.db2.gz SBJCISYFJGVYCR-DCAQKATOSA-N 2 0 271.361 -0.371 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)C2=NO[C@@]3(CC[NH2+]C3)C2)C1 ZINC001219641696 824869999 /nfs/dbraw/zinc/86/99/99/824869999.db2.gz KOCBTQRALCAWJF-MJVIPROJSA-N 2 0 280.372 -0.143 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1 ZINC001219641156 824870161 /nfs/dbraw/zinc/87/01/61/824870161.db2.gz GBIQAMQGLKRTSA-OJROKELRSA-N 2 0 266.389 -0.430 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])Cn2cccn2)C1 ZINC001219641728 824870215 /nfs/dbraw/zinc/87/02/15/824870215.db2.gz KWWYCPXVXPDUJJ-UTUOFQBUSA-N 2 0 265.361 -0.428 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219642348 824870254 /nfs/dbraw/zinc/87/02/54/824870254.db2.gz SBJCISYFJGVYCR-AXFHLTTASA-N 2 0 271.361 -0.371 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2C[NH2+]CC[C@@H]2O)C1 ZINC001219642322 824870559 /nfs/dbraw/zinc/87/05/59/824870559.db2.gz RPJPDCXRPCWLSM-USZNOCQGSA-N 2 0 255.362 -0.681 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)C2(O)CC[NH2+]CC2)C1 ZINC001219642742 824872028 /nfs/dbraw/zinc/87/20/28/824872028.db2.gz XFSZQIKCTGILIB-QWRGUYRKSA-N 2 0 255.362 -0.537 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])CC[S@@](C)=O)C1 ZINC001219649344 824872746 /nfs/dbraw/zinc/87/27/46/824872746.db2.gz IEIWMDZWGSPLGL-CKCRQCODSA-N 2 0 275.418 -0.556 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]3CCO[C@H]32)C1 ZINC001219648986 824873175 /nfs/dbraw/zinc/87/31/75/824873175.db2.gz CVVXJNFIQZUKFC-RYMFRWLXSA-N 2 0 281.400 -0.027 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001219648999 824873606 /nfs/dbraw/zinc/87/36/06/824873606.db2.gz CZQMDVGJSZIKCA-SGMGOOAPSA-N 3 0 297.447 -0.901 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219650982 824873693 /nfs/dbraw/zinc/87/36/93/824873693.db2.gz SEXOSVBUICOMMT-FMSGJZPZSA-N 2 0 298.431 -0.162 20 0 CBADRP C[C@@H]1C[C@@H](CNC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C[NH2+]1 ZINC001219685246 824877646 /nfs/dbraw/zinc/87/76/46/824877646.db2.gz XWLDWYWGWJINRO-HNCHTBHHSA-N 2 0 252.362 -0.948 20 0 CBADRP C[C@@H]1C[C@@H](CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C[NH2+]1 ZINC001219684549 824877862 /nfs/dbraw/zinc/87/78/62/824877862.db2.gz POVQHBLSFMWUEL-CKYFFXLPSA-N 3 0 254.378 -0.573 20 0 CBADRP O=C(NCc1cc[nH]n1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219688955 824879195 /nfs/dbraw/zinc/87/91/95/824879195.db2.gz ASFWXGIMICAYQY-NSHDSACASA-N 2 0 263.345 -0.100 20 0 CBADRP O=C(NCCC1(O)C[NH2+]C1)[C@H]1[NH2+]CCc2cc(F)ccc21 ZINC001219697006 824880976 /nfs/dbraw/zinc/88/09/76/824880976.db2.gz OPIFISFGPUVOMS-ZDUSSCGKSA-N 2 0 293.342 -0.147 20 0 CBADRP CN1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C1 ZINC001219694824 824881042 /nfs/dbraw/zinc/88/10/42/824881042.db2.gz MZVMRLNFNSROBN-STQMWFEESA-N 2 0 286.420 -0.508 20 0 CBADRP C[C@]([NH3+])(Cc1ccc(F)cc1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219696238 824881278 /nfs/dbraw/zinc/88/12/78/824881278.db2.gz DNSDBXGIIOQQJM-AWEZNQCLSA-N 2 0 295.358 -0.074 20 0 CBADRP N[C@@H](C[NH3+])c1ccc(C(=O)NCCC2(O)C[NH2+]C2)cc1 ZINC001219697334 824881314 /nfs/dbraw/zinc/88/13/14/824881314.db2.gz SIGNKRMNXPTXNJ-LBPRGKRZSA-N 2 0 278.356 -0.901 20 0 CBADRP Cn1cccc1CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001219699161 824882744 /nfs/dbraw/zinc/88/27/44/824882744.db2.gz UUNLZASUOBDFGF-GFCCVEGCSA-N 2 0 250.346 -0.032 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219705339 824882964 /nfs/dbraw/zinc/88/29/64/824882964.db2.gz ICKGTZFILXVVMK-UHFFFAOYSA-N 3 0 276.384 -0.113 20 0 CBADRP [NH3+][C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1O)C1Cc2ccccc2C1 ZINC001219712022 824884572 /nfs/dbraw/zinc/88/45/72/824884572.db2.gz KJKJXKKLSMFUPK-MCIONIFRSA-N 2 0 275.352 -0.822 20 0 CBADRP C[NH2+][C@@H](COCc1ccccc1)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219712874 824884794 /nfs/dbraw/zinc/88/47/94/824884794.db2.gz YBLNSKOFVRWKHC-HZSPNIEDSA-N 2 0 293.367 -0.760 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@H]1CC[C@@H](C(F)(F)F)C[NH2+]1 ZINC001219712765 824885043 /nfs/dbraw/zinc/88/50/43/824885043.db2.gz VZPKTLBGCAHZBV-FNCVBFRFSA-N 2 0 281.278 -0.634 20 0 CBADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001219721003 824886388 /nfs/dbraw/zinc/88/63/88/824886388.db2.gz XQDLSRMNAYAFRJ-CIQGVGRVSA-N 2 0 283.372 -0.623 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219736850 824888819 /nfs/dbraw/zinc/88/88/19/824888819.db2.gz JFEIGPYTJBLHCL-SNVBAGLBSA-N 2 0 283.376 -0.866 20 0 CBADRP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1[NH2+]CC[C@H]1O ZINC001219743477 824889094 /nfs/dbraw/zinc/88/90/94/824889094.db2.gz FBYOQASSRMGGJU-UTUOFQBUSA-N 2 0 283.372 -0.873 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219750273 824889495 /nfs/dbraw/zinc/88/94/95/824889495.db2.gz ZTFKYHWPXZPFRO-GHMZBOCLSA-N 2 0 292.387 -0.224 20 0 CBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1CC[NH2+]C[C@H]1F ZINC001219749884 824889948 /nfs/dbraw/zinc/88/99/48/824889948.db2.gz SMEFVBRWJOWNGS-VHSXEESVSA-N 2 0 296.350 -0.665 20 0 CBADRP N[C@@]1(C(=O)NC[C@H]2CCC3(CC[NH2+]CC3)O2)CCC[NH2+]C1 ZINC001219743857 824890255 /nfs/dbraw/zinc/89/02/55/824890255.db2.gz NZDODGPABSWCNM-DOMZBBRYSA-N 2 0 296.415 -0.515 20 0 CBADRP N[C@@]1(C(=O)NC[C@@]2(F)CCC[NH2+]C2)CCC[NH2+]C1 ZINC001219768953 824891274 /nfs/dbraw/zinc/89/12/74/824891274.db2.gz RJTQZEBCUWNWQT-NEPJUHHUSA-N 2 0 258.341 -0.725 20 0 CBADRP O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001219768642 824891295 /nfs/dbraw/zinc/89/12/95/824891295.db2.gz OJYQHRXDIMIWBK-CIQGVGRVSA-N 2 0 285.363 -0.039 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219768951 824891307 /nfs/dbraw/zinc/89/13/07/824891307.db2.gz RHZNHFSTKLIKHP-GFCCVEGCSA-N 2 0 273.356 -0.152 20 0 CBADRP O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219768711 824891363 /nfs/dbraw/zinc/89/13/63/824891363.db2.gz PLQUFNWIJWCNEO-GXFFZTMASA-N 3 0 270.352 -0.997 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219767716 824891494 /nfs/dbraw/zinc/89/14/94/824891494.db2.gz CRNLDFCRTKPFNG-CMPLNLGQSA-N 2 0 269.324 -0.513 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219771772 824891737 /nfs/dbraw/zinc/89/17/37/824891737.db2.gz ROIPDVNPSUIEPP-GFCCVEGCSA-N 2 0 277.372 -0.072 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1C[NH2+]CCO1 ZINC001219772951 824891769 /nfs/dbraw/zinc/89/17/69/824891769.db2.gz HIJUBURKDXHZGA-NSHDSACASA-N 2 0 253.346 -0.377 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219768966 824892431 /nfs/dbraw/zinc/89/24/31/824892431.db2.gz RWOQLGVKCMIGBI-WCQYABFASA-N 2 0 283.351 -0.502 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777267 824893274 /nfs/dbraw/zinc/89/32/74/824893274.db2.gz FKRMFEBJDIGDDI-CYBMUJFWSA-N 2 0 280.416 -0.119 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219773482 824893511 /nfs/dbraw/zinc/89/35/11/824893511.db2.gz UKUVCAOHKSJVAG-XHDPSFHLSA-N 2 0 278.400 -0.414 20 0 CBADRP NC(=O)CC[C@H]([NH3+])CC(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219775338 824893711 /nfs/dbraw/zinc/89/37/11/824893711.db2.gz KCADIHRGBVXGCX-JTQLQIEISA-N 2 0 282.388 -0.382 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001219775868 824893831 /nfs/dbraw/zinc/89/38/31/824893831.db2.gz PNIHLHWSJLOGTN-BXUZGUMPSA-N 2 0 265.357 -0.234 20 0 CBADRP [NH3+][C@H](C(=O)NCC[C@H]1CCOC12C[NH2+]C2)C1CC[NH2+]CC1 ZINC001219799803 824895226 /nfs/dbraw/zinc/89/52/26/824895226.db2.gz CURYNYPBYCFDNK-STQMWFEESA-N 3 0 296.415 -0.802 20 0 CBADRP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805774 824895907 /nfs/dbraw/zinc/89/59/07/824895907.db2.gz RSFQRJLQBSIODB-RDBSUJKOSA-N 2 0 299.415 -0.476 20 0 CBADRP [NH3+][C@@H](C(=O)NCC[C@@H]1CCOC12C[NH2+]C2)C1CC[NH2+]CC1 ZINC001219799800 824896130 /nfs/dbraw/zinc/89/61/30/824896130.db2.gz CURYNYPBYCFDNK-CHWSQXEVSA-N 3 0 296.415 -0.802 20 0 CBADRP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802022 824896326 /nfs/dbraw/zinc/89/63/26/824896326.db2.gz DMLQGVBEMMXEQH-UPJWGTAASA-N 2 0 299.415 -0.333 20 0 CBADRP C[C@@]1(C(=O)NCC[C@H]2CCOC23C[NH2+]C3)CC[NH2+]C1 ZINC001219803509 824896423 /nfs/dbraw/zinc/89/64/23/824896423.db2.gz WCPLBCMOQIJZGE-WCQYABFASA-N 2 0 267.373 -0.129 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001219823039 824896922 /nfs/dbraw/zinc/89/69/22/824896922.db2.gz JKOOUSCGAXIMAC-DTWKUNHWSA-N 2 0 255.343 -0.282 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219814583 824897034 /nfs/dbraw/zinc/89/70/34/824897034.db2.gz HCWBIUSSKIRJDM-LAEOZQHASA-N 2 0 263.288 -0.679 20 0 CBADRP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219816127 824897110 /nfs/dbraw/zinc/89/71/10/824897110.db2.gz AAOBLEVRJFFHSH-SYQHCUMBSA-N 2 0 275.352 -0.071 20 0 CBADRP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@H]1C[NH2+]C[C@H]1O ZINC001219818800 824897928 /nfs/dbraw/zinc/89/79/28/824897928.db2.gz NYSMBVCOGRTGLH-DGAVXFQQSA-N 2 0 275.352 -0.214 20 0 CBADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CC[NH2+]C[C@@H]1F ZINC001219814829 824898342 /nfs/dbraw/zinc/89/83/42/824898342.db2.gz NDAJYTBGRPAXNG-ZPFDUUQYSA-N 2 0 271.336 -0.714 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001219823038 824898352 /nfs/dbraw/zinc/89/83/52/824898352.db2.gz JKOOUSCGAXIMAC-BDAKNGLRSA-N 2 0 255.343 -0.282 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]C1)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813238 824898464 /nfs/dbraw/zinc/89/84/64/824898464.db2.gz QMBJBZVPYBMEHT-DYEKYZERSA-N 2 0 267.373 -0.272 20 0 CBADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001219813664 824898544 /nfs/dbraw/zinc/89/85/44/824898544.db2.gz YOKXJSHRKOCMTK-ZPFDUUQYSA-N 2 0 271.336 -0.571 20 0 CBADRP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219818801 824898582 /nfs/dbraw/zinc/89/85/82/824898582.db2.gz NYSMBVCOGRTGLH-MQYQWHSLSA-N 2 0 275.352 -0.214 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001219825094 824898841 /nfs/dbraw/zinc/89/88/41/824898841.db2.gz COAIPXZMJKQKOB-JTQLQIEISA-N 3 0 268.386 -0.053 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)C1CCC(O)CC1 ZINC001219831708 824899471 /nfs/dbraw/zinc/89/94/71/824899471.db2.gz UZHXIYPEJUOVEV-GCYFGFEUSA-N 2 0 297.399 -0.642 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001219825253 824900080 /nfs/dbraw/zinc/90/00/80/824900080.db2.gz GELVPLXWFPADOL-LPEHRKFASA-N 2 0 266.370 -0.445 20 0 CBADRP COCC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219829762 824900219 /nfs/dbraw/zinc/90/02/19/824900219.db2.gz DFJNOJGFCBMJFT-MJBXVCDLSA-N 2 0 299.415 -0.332 20 0 CBADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1CCCC[NH2+]1 ZINC001219831656 824900340 /nfs/dbraw/zinc/90/03/40/824900340.db2.gz SIGIPTBEQPDFOX-WYUUTHIRSA-N 2 0 253.346 -0.378 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001219823040 824900447 /nfs/dbraw/zinc/90/04/47/824900447.db2.gz JKOOUSCGAXIMAC-IUCAKERBSA-N 2 0 255.343 -0.282 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847412 824900938 /nfs/dbraw/zinc/90/09/38/824900938.db2.gz GKTMIKOHSKNTOZ-MRBYEJRBSA-N 2 0 269.345 -1.000 20 0 CBADRP [NH3+][C@H]1CC[C@@H]1C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838335 824901188 /nfs/dbraw/zinc/90/11/88/824901188.db2.gz PFFOBTYFORHATJ-ZJQBRPOHSA-N 2 0 283.372 -0.765 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219846900 824901253 /nfs/dbraw/zinc/90/12/53/824901253.db2.gz JBICIQOSTMOCJF-WOPDTQHZSA-N 2 0 257.378 -0.246 20 0 CBADRP C[C@]1(C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)CCC[NH2+]1 ZINC001219848329 824901720 /nfs/dbraw/zinc/90/17/20/824901720.db2.gz XEQQLNVAMLATQT-MEWQQHAOSA-N 2 0 253.346 -0.236 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847720 824901790 /nfs/dbraw/zinc/90/17/90/824901790.db2.gz QBVPERUJDNFCHX-FIQHERPVSA-N 3 0 270.377 -0.922 20 0 CBADRP [NH3+][C@H]1CC[C@@H]1C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838332 824902106 /nfs/dbraw/zinc/90/21/06/824902106.db2.gz PFFOBTYFORHATJ-MNXVOIDGSA-N 2 0 283.372 -0.765 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837503 824902114 /nfs/dbraw/zinc/90/21/14/824902114.db2.gz KCKRULRISLWNHP-RGCMKSIDSA-N 2 0 297.399 -0.375 20 0 CBADRP N[C@H](C[NH3+])c1ccc(C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC001219856761 824902593 /nfs/dbraw/zinc/90/25/93/824902593.db2.gz ZWXACVCKDHBJCF-YIYPIFLZSA-N 2 0 290.367 -0.638 20 0 CBADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)C1CC2(C[NH2+]C2)C1 ZINC001219854854 824902753 /nfs/dbraw/zinc/90/27/53/824902753.db2.gz YKAHMRKVLPHVIT-OUAUKWLOSA-N 2 0 251.330 -0.911 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852212 824902882 /nfs/dbraw/zinc/90/28/82/824902882.db2.gz OJDSGGKBRONAKR-XDQVBPFNSA-N 3 0 298.431 -0.427 20 0 CBADRP C[C@@]1(C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CC[NH2+]C1 ZINC001219851742 824903364 /nfs/dbraw/zinc/90/33/64/824903364.db2.gz CPCQSYZZWASOJK-CIQGVGRVSA-N 2 0 267.373 -0.273 20 0 CBADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1CC[NH2+]C[C@H]1F ZINC001219856502 824903468 /nfs/dbraw/zinc/90/34/68/824903468.db2.gz PGDBEXRBQUSTKT-MVCUBJFGSA-N 2 0 257.309 -0.963 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1C[NH2+]C[C@@]12c1ccccc1NC2=O ZINC001219867208 824904275 /nfs/dbraw/zinc/90/42/75/824904275.db2.gz FZCCNVFYYUQLHW-IINYFYTJSA-N 2 0 274.324 -0.829 20 0 CBADRP CC(C)OC(=O)[C@H](C)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219880683 824907445 /nfs/dbraw/zinc/90/74/45/824907445.db2.gz GXQZIVWYHLSYOU-UWVGGRQHSA-N 2 0 269.345 -0.748 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219916507 824913760 /nfs/dbraw/zinc/91/37/60/824913760.db2.gz XUOQMXAIOHRNNN-VXGBXAGGSA-N 3 0 268.405 -0.073 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N[C@H](C)C[NH+](C)C ZINC001219916554 824914559 /nfs/dbraw/zinc/91/45/59/824914559.db2.gz YYSQQMCXHSWDHZ-MNOVXSKESA-N 2 0 272.393 -0.458 20 0 CBADRP C[NH+](C)CCCCCNC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001219918191 824915314 /nfs/dbraw/zinc/91/53/14/824915314.db2.gz HJNCAZXNZWDMSM-LLVKDONJSA-N 2 0 287.408 -0.390 20 0 CBADRP C[C@]([NH3+])(Cc1ccc(F)cc1)C(=O)NCC[NH2+]CCO ZINC001219918812 824915581 /nfs/dbraw/zinc/91/55/81/824915581.db2.gz RGMYETVGOCDKMW-AWEZNQCLSA-N 2 0 283.347 -0.216 20 0 CBADRP N[C@@H](C[NH3+])C(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219929512 824916815 /nfs/dbraw/zinc/91/68/15/824916815.db2.gz MRDFKVVKWPHISJ-LBPRGKRZSA-N 2 0 277.372 -0.549 20 0 CBADRP Cc1nonc1CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001219948132 824919827 /nfs/dbraw/zinc/91/98/27/824919827.db2.gz MQYIHWACZOSBBI-ZETCQYMHSA-N 2 0 259.335 -0.987 20 0 CBADRP O=C(NCCC[NH2+]C1CCCCC1)[C@H]1C[NH2+]C[C@H]1O ZINC001219954261 824920355 /nfs/dbraw/zinc/92/03/55/824920355.db2.gz FCRMRCFOSGMHMZ-QWHCGFSZSA-N 2 0 269.389 -0.005 20 0 CBADRP O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1C[NH2+]CCN1 ZINC001219954840 824922986 /nfs/dbraw/zinc/92/29/86/824922986.db2.gz URZLTWAJZRHAJW-ZDUSSCGKSA-N 2 0 268.405 -0.024 20 0 CBADRP NC(=O)c1ccc(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cc1 ZINC001219961764 824924352 /nfs/dbraw/zinc/92/43/52/824924352.db2.gz VSVWLEDANBZCDX-GFCCVEGCSA-N 2 0 288.351 -0.789 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCCCc1c[nH][nH]c1=O ZINC001219970341 824925473 /nfs/dbraw/zinc/92/54/73/824925473.db2.gz YNWKZAPQRDQDHZ-MNOVXSKESA-N 2 0 283.376 -0.539 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CCCCO1 ZINC001219978165 824927115 /nfs/dbraw/zinc/92/71/15/824927115.db2.gz FMTGUKWHYHROAU-WDEREUQCSA-N 2 0 252.318 -0.035 20 0 CBADRP COC(=O)CNC(=O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219974873 824927485 /nfs/dbraw/zinc/92/74/85/824927485.db2.gz HTSBIKMMIIEGBX-MNOVXSKESA-N 2 0 269.345 -0.651 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCC(=O)NC1CCCC1 ZINC001219975267 824927956 /nfs/dbraw/zinc/92/79/56/824927956.db2.gz PTOFFKXBDQPNNO-SNVBAGLBSA-N 2 0 256.350 -0.772 20 0 CBADRP O=C(NC[C@@H]1CCCCO1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219978725 824928034 /nfs/dbraw/zinc/92/80/34/824928034.db2.gz QYVJBDAMOXULHM-MBNYWOFBSA-N 2 0 267.373 -0.129 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCC(=O)NC1CCCC1 ZINC001219975266 824928301 /nfs/dbraw/zinc/92/83/01/824928301.db2.gz PTOFFKXBDQPNNO-JTQLQIEISA-N 2 0 256.350 -0.772 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2C[NH2+]CCN2)C1 ZINC001219980307 824929090 /nfs/dbraw/zinc/92/90/90/824929090.db2.gz GIFGGWNCCRZXNZ-RYUDHWBXSA-N 2 0 254.378 -0.604 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2[NH2+]CC[C@H]2O)C1 ZINC001219980529 824929587 /nfs/dbraw/zinc/92/95/87/824929587.db2.gz KIGXCSDOBNTWLY-UTUOFQBUSA-N 2 0 255.362 -0.443 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCc1ccncn1 ZINC001220004842 824931142 /nfs/dbraw/zinc/93/11/42/824931142.db2.gz GUCSJHRMHJDIBT-JTQLQIEISA-N 2 0 251.334 -0.061 20 0 CBADRP COC(=O)C1(NC(=O)[C@@]2(C)CCC[NH2+]2)CC[NH2+]CC1 ZINC001220001738 824931531 /nfs/dbraw/zinc/93/15/31/824931531.db2.gz WLJWJMUTBUINRK-GFCCVEGCSA-N 2 0 269.345 -0.460 20 0 CBADRP CN1C[C@H](NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCC1=O ZINC001220006853 824932557 /nfs/dbraw/zinc/93/25/57/824932557.db2.gz DMOVGHHAZUNOOI-ZYHUDNBSSA-N 2 0 268.361 -0.950 20 0 CBADRP CN1CC(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001220013059 824935015 /nfs/dbraw/zinc/93/50/15/824935015.db2.gz HHPUURPTKXRCDQ-LLVKDONJSA-N 2 0 252.362 -0.709 20 0 CBADRP O=C(NC1CC(=O)C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220018575 824935284 /nfs/dbraw/zinc/93/52/84/824935284.db2.gz JGYQMGFTJUTKSC-NSHDSACASA-N 2 0 251.330 -0.292 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)n1cnc(C[NH3+])cc1=N ZINC001220020610 824936092 /nfs/dbraw/zinc/93/60/92/824936092.db2.gz PHAUZEHZFJCHJP-JTQLQIEISA-N 3 0 266.349 -0.822 20 0 CBADRP N=c1cc(C[NH3+])ncn1C(=O)c1ccc([C@H](N)C[NH3+])cc1 ZINC001220020365 824936407 /nfs/dbraw/zinc/93/64/07/824936407.db2.gz GKJCNBFVOPXEOC-GFCCVEGCSA-N 2 0 286.339 -0.532 20 0 CBADRP N=c1sc2c(n1C(=O)C1(N)CC[NH2+]CC1)CC[C@H]([NH3+])C2 ZINC001220022450 824936585 /nfs/dbraw/zinc/93/65/85/824936585.db2.gz HQHZDRVNOCPFES-QMMMGPOBSA-N 2 0 295.412 -0.434 20 0 CBADRP N=c1cc(C[NH3+])ncn1C(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001220020768 824936924 /nfs/dbraw/zinc/93/69/24/824936924.db2.gz VBNSVKYKWPFZOC-RKDXNWHRSA-N 2 0 253.281 -0.591 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@](C)(C(N)=O)C(C)C ZINC001220023418 824937498 /nfs/dbraw/zinc/93/74/98/824937498.db2.gz YFHFOSDOITVOSX-GWCFXTLKSA-N 2 0 272.393 -0.280 20 0 CBADRP CC(C)[C@@](C)(NC(=O)[C@@H]([NH3+])CSCC[NH3+])C(N)=O ZINC001220023073 824938009 /nfs/dbraw/zinc/93/80/09/824938009.db2.gz PQDAASAJVYXQBL-GZMMTYOYSA-N 2 0 276.406 -0.978 20 0 CBADRP N=c1sc2c(n1C(=O)[C@]1(N)CCC[NH2+]C1)CC[C@H]([NH3+])C2 ZINC001220025435 824938168 /nfs/dbraw/zinc/93/81/68/824938168.db2.gz PQSKVWWESPXTTH-SDBXPKJASA-N 2 0 295.412 -0.434 20 0 CBADRP N=c1sc2c(n1C(=O)[C@H]1[NH2+]CC[C@@H]1O)CC[C@H]([NH3+])C2 ZINC001220025721 824938286 /nfs/dbraw/zinc/93/82/86/824938286.db2.gz VYXOLOHFTCAROP-HKPALBBZSA-N 2 0 282.369 -0.792 20 0 CBADRP COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])C1CCOCC1 ZINC001220025447 824938349 /nfs/dbraw/zinc/93/83/49/824938349.db2.gz QDNRFOQYCAEQSI-QWRGUYRKSA-N 2 0 287.360 -0.863 20 0 CBADRP CC(C)[C@](C)(NC(=O)[C@@H]([NH3+])CSCC[NH3+])C(N)=O ZINC001220023074 824938448 /nfs/dbraw/zinc/93/84/48/824938448.db2.gz PQDAASAJVYXQBL-KWQFWETISA-N 2 0 276.406 -0.978 20 0 CBADRP CC(C)(CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(N)=O ZINC001220034435 824938832 /nfs/dbraw/zinc/93/88/32/824938832.db2.gz YJKVJHIZXOEMHQ-SNVBAGLBSA-N 2 0 282.388 -0.512 20 0 CBADRP COC(=O)c1ccnc(CNC(=O)[C@@H]([NH3+])CCCC[NH3+])c1 ZINC001220038296 824940582 /nfs/dbraw/zinc/94/05/82/824940582.db2.gz VJOBICQOYUKODV-LBPRGKRZSA-N 2 0 294.355 -0.059 20 0 CBADRP N=c1cc(C[NH3+])ccn1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220044949 824942489 /nfs/dbraw/zinc/94/24/89/824942489.db2.gz FQCRBMUVBNHVRT-GFCCVEGCSA-N 3 0 263.345 -0.607 20 0 CBADRP N=c1cc(C[NH3+])ccn1C(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220045366 824943312 /nfs/dbraw/zinc/94/33/12/824943312.db2.gz XEBIVGYQTRKCPA-ZWNOBZJWSA-N 2 0 261.329 -0.982 20 0 CBADRP CCCCOC(=O)[C@H](C)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220049718 824945294 /nfs/dbraw/zinc/94/52/94/824945294.db2.gz PJCHQGIGJOCOHO-QWRGUYRKSA-N 2 0 283.372 -0.357 20 0 CBADRP C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001220052870 824945415 /nfs/dbraw/zinc/94/54/15/824945415.db2.gz HMIWNKHUGKWEAB-LBPRGKRZSA-N 2 0 268.405 -0.214 20 0 CBADRP C[NH2+]CCNC(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001220053200 824946027 /nfs/dbraw/zinc/94/60/27/824946027.db2.gz YTQKCFVLXGYQNX-YPMHNXCESA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001220061671 824947157 /nfs/dbraw/zinc/94/71/57/824947157.db2.gz BRZYKXOOYCFNAN-AVGNSLFASA-N 2 0 268.405 -0.086 20 0 CBADRP COCC1(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCC1 ZINC001220063840 824948142 /nfs/dbraw/zinc/94/81/42/824948142.db2.gz GVYZHPGOGOUHTQ-GFCCVEGCSA-N 2 0 284.404 -0.578 20 0 CBADRP CCOC(=O)C(C)(C)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220063827 824948536 /nfs/dbraw/zinc/94/85/36/824948536.db2.gz GIOHKZVIPKEQSS-QMMMGPOBSA-N 2 0 277.390 -0.537 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1cc(=O)[nH]c(=O)n1C1CC1 ZINC001220064134 824948738 /nfs/dbraw/zinc/94/87/38/824948738.db2.gz SDOMQMAOKVZUSY-MRVPVSSYSA-N 2 0 281.316 -0.712 20 0 CBADRP Cc1nc(N)ccc1CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220071687 824950898 /nfs/dbraw/zinc/95/08/98/824950898.db2.gz NKIFSOUVLBEYPU-NSHDSACASA-N 2 0 275.356 -0.603 20 0 CBADRP C[NH2+]CCCCNC(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001220077759 824951623 /nfs/dbraw/zinc/95/16/23/824951623.db2.gz VQHFUHTVXSBUAJ-SDDRHHMPSA-N 2 0 255.362 -0.131 20 0 CBADRP Cc1ncc(CO)c(CNC(=O)[C@@H]([NH3+])CCCC[NH3+])c1O ZINC001220092726 824953192 /nfs/dbraw/zinc/95/31/92/824953192.db2.gz BKAPBWQWGBCABY-LBPRGKRZSA-N 2 0 296.371 -0.340 20 0 CBADRP CCOC(=O)C(F)(F)CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220097276 824954266 /nfs/dbraw/zinc/95/42/66/824954266.db2.gz TUYGBMVMLTXAOO-VIFPVBQESA-N 2 0 293.314 -0.372 20 0 CBADRP O=C(N[C@@H]1CCC[C@@H]1O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220099556 824954856 /nfs/dbraw/zinc/95/48/56/824954856.db2.gz RZECSRYKTVKZSH-UTUOFQBUSA-N 2 0 267.373 -0.110 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001220103161 824955494 /nfs/dbraw/zinc/95/54/94/824955494.db2.gz JBVAENHFULUINE-DTWKUNHWSA-N 3 0 259.329 -0.605 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC(=N)SCC[NH3+] ZINC001220106412 824955949 /nfs/dbraw/zinc/95/59/49/824955949.db2.gz MGONXHLWFUEBAJ-QMMMGPOBSA-N 3 0 261.395 -0.554 20 0 CBADRP NC(=[NH2+])N(C(=O)[C@H]1C[NH2+]C[C@@H]1N)c1ccccc1F ZINC001220106716 824956397 /nfs/dbraw/zinc/95/63/97/824956397.db2.gz ZAZQJCQKUQMLQC-CBAPKCEASA-N 2 0 265.292 -0.401 20 0 CBADRP NC(=[NH2+])N(C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1ccccc1F ZINC001220106629 824956571 /nfs/dbraw/zinc/95/65/71/824956571.db2.gz VRPAMFMTVMLUFT-SECBINFHSA-N 3 0 291.330 -0.139 20 0 CBADRP NC(=[NH2+])N(C(=O)C[C@@H](O)C[NH3+])c1ccccc1F ZINC001220106227 824957321 /nfs/dbraw/zinc/95/73/21/824957321.db2.gz GDEQFSKTVMHEDE-SSDOTTSWSA-N 2 0 254.265 -0.238 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1cccc(F)n1 ZINC001220124946 824962342 /nfs/dbraw/zinc/96/23/42/824962342.db2.gz RIQJQKSKDCODKW-GFCCVEGCSA-N 2 0 295.362 -0.413 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1cccc(F)n1 ZINC001220124947 824962626 /nfs/dbraw/zinc/96/26/26/824962626.db2.gz RIQJQKSKDCODKW-LBPRGKRZSA-N 2 0 295.362 -0.413 20 0 CBADRP O=C(NCC1(F)CCOCC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220136699 824963600 /nfs/dbraw/zinc/96/36/00/824963600.db2.gz CQQAVBCAAAPYHP-SNVBAGLBSA-N 2 0 271.336 -0.570 20 0 CBADRP O=C(NC1(c2ccccn2)CC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220137096 824963996 /nfs/dbraw/zinc/96/39/96/824963996.db2.gz RAOZAJYBPQCMGL-NSHDSACASA-N 2 0 272.352 -0.004 20 0 CBADRP O=C(NCCOC(F)(F)F)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220139145 824964581 /nfs/dbraw/zinc/96/45/81/824964581.db2.gz MTSVVCVFJBEEHQ-PSASIEDQSA-N 2 0 281.278 -0.162 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220150078 824969201 /nfs/dbraw/zinc/96/92/01/824969201.db2.gz PMQWKGRTHQDYOI-TUAOUCFPSA-N 3 0 256.394 -0.101 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C1 ZINC001220149907 824969542 /nfs/dbraw/zinc/96/95/42/824969542.db2.gz HONLSQSBBDJOFC-IGQOVBAYSA-N 2 0 280.416 -0.086 20 0 CBADRP C[NH2+][C@@H](COCc1ccccc1)C(=O)NC1(C[NH3+])COC1 ZINC001220154636 824970477 /nfs/dbraw/zinc/97/04/77/824970477.db2.gz VVXXCCXIPZPOIR-ZDUSSCGKSA-N 2 0 293.367 -0.365 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])CC(=O)NC1(C[NH3+])COC1 ZINC001220154036 824970877 /nfs/dbraw/zinc/97/08/77/824970877.db2.gz IMOFIYWQHFESED-SECBINFHSA-N 2 0 259.350 -0.637 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220163035 824974311 /nfs/dbraw/zinc/97/43/11/824974311.db2.gz OEUKAQCJROGMAW-NTZNESFSSA-N 2 0 254.378 -0.299 20 0 CBADRP [NH3+]CCNCC(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220161634 824974407 /nfs/dbraw/zinc/97/44/07/824974407.db2.gz DOIOXIFQHCAQOI-YPMHNXCESA-N 2 0 254.378 -0.427 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220161705 824974455 /nfs/dbraw/zinc/97/44/55/824974455.db2.gz FFJSLRHENJUSDE-JSGCOSHPSA-N 3 0 268.405 -0.037 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220163641 824974821 /nfs/dbraw/zinc/97/48/21/824974821.db2.gz SKJCOAOHZFSJSD-OWTLIXCDSA-N 2 0 266.389 -0.428 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220161707 824974694 /nfs/dbraw/zinc/97/46/94/824974694.db2.gz FFJSLRHENJUSDE-TZMCWYRMSA-N 3 0 268.405 -0.037 20 0 CBADRP O=C(N[C@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220163875 824976067 /nfs/dbraw/zinc/97/60/67/824976067.db2.gz WFEABPSNKKYZGA-MNXVOIDGSA-N 2 0 267.373 -0.252 20 0 CBADRP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220164159 824976803 /nfs/dbraw/zinc/97/68/03/824976803.db2.gz ZDDZGEFOCJFNDK-NMKXLXIOSA-N 2 0 267.373 -0.395 20 0 CBADRP C[C@H](NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)c1cncnc1 ZINC001220183097 824981052 /nfs/dbraw/zinc/98/10/52/824981052.db2.gz DUYIRIDZKLSULY-CABZTGNLSA-N 2 0 263.345 -0.019 20 0 CBADRP C[C@@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)c1cncnc1 ZINC001220183199 824981150 /nfs/dbraw/zinc/98/11/50/824981150.db2.gz HWKVOGRHROJLLG-MFKMUULPSA-N 2 0 292.387 -0.596 20 0 CBADRP N=C(NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ncc[nH]1 ZINC001220181463 824981487 /nfs/dbraw/zinc/98/14/87/824981487.db2.gz PNZKTWZXASWBPF-SECBINFHSA-N 2 0 276.344 -0.275 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@@H]1CCNCC1(F)F ZINC001220188307 824983053 /nfs/dbraw/zinc/98/30/53/824983053.db2.gz AGNKJCDENDZFBC-IUCAKERBSA-N 2 0 296.387 -0.633 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001220200313 824984523 /nfs/dbraw/zinc/98/45/23/824984523.db2.gz HCOMYMJHQKSIMJ-ZDUSSCGKSA-N 3 0 286.420 -0.330 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)C[C@@H](O)C[NH3+])CC1 ZINC001220200200 824985011 /nfs/dbraw/zinc/98/50/11/824985011.db2.gz CWDHSAKYTZUQOR-GFCCVEGCSA-N 2 0 273.377 -0.687 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)C2(N)CC[NH2+]CC2)CC1 ZINC001220200554 824986405 /nfs/dbraw/zinc/98/64/05/824986405.db2.gz NRKJFTXSUJIHBN-UHFFFAOYSA-N 2 0 298.431 -0.316 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001220200649 824986706 /nfs/dbraw/zinc/98/67/06/824986706.db2.gz PZVCCLYNPPOHSF-OLZOCXBDSA-N 2 0 285.388 -0.816 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC[C@H]1CNC(=O)C1 ZINC001220203197 824986762 /nfs/dbraw/zinc/98/67/62/824986762.db2.gz YYRALNXXQLNTLL-ZJUUUORDSA-N 2 0 256.350 -0.915 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC1(c2cccnn2)CC1 ZINC001220210062 824987728 /nfs/dbraw/zinc/98/77/28/824987728.db2.gz OZBKMNCOQGUHDH-VIFPVBQESA-N 2 0 281.385 -0.399 20 0 CBADRP CC1(C)C[C@@H](NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCO1 ZINC001220219210 824988704 /nfs/dbraw/zinc/98/87/04/824988704.db2.gz TXYRGSCETSIGOU-WDEREUQCSA-N 2 0 267.373 -0.131 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@]1(N)CC[NH2+]C1 ZINC001220220712 824988786 /nfs/dbraw/zinc/98/87/86/824988786.db2.gz BUHSRVDAYUNTQN-GVXVVHGQSA-N 2 0 254.378 -0.334 20 0 CBADRP COC1CCC(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001220222860 824988897 /nfs/dbraw/zinc/98/88/97/824988897.db2.gz IHMMOIICFJNWIW-JXQTWKCFSA-N 2 0 298.431 -0.189 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220221075 824989315 /nfs/dbraw/zinc/98/93/15/824989315.db2.gz POGBDVIOAFHBQU-RHYQMDGZSA-N 2 0 255.362 -0.444 20 0 CBADRP CC1(C)C[C@H](NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCO1 ZINC001220221089 824989678 /nfs/dbraw/zinc/98/96/78/824989678.db2.gz PYVWKKJDRGNQFJ-OLZOCXBDSA-N 2 0 298.431 -0.189 20 0 CBADRP CCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220234517 824991051 /nfs/dbraw/zinc/99/10/51/824991051.db2.gz KNDYCBFFFFTGLH-RYUDHWBXSA-N 2 0 284.404 -0.040 20 0 CBADRP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237913 824991100 /nfs/dbraw/zinc/99/11/00/824991100.db2.gz HRUYYUGHLRCKBZ-UPJWGTAASA-N 2 0 287.404 -0.476 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@@H]2O)CC1 ZINC001220229034 824991524 /nfs/dbraw/zinc/99/15/24/824991524.db2.gz JVODQZQUWDAVKE-OLZOCXBDSA-N 2 0 281.400 -0.101 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCNC(=O)CNC1CC[NH2+]CC1 ZINC001220251730 824994843 /nfs/dbraw/zinc/99/48/43/824994843.db2.gz CTOKHIWZLWXEGX-ZDUSSCGKSA-N 2 0 268.405 -0.072 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001220254609 824995643 /nfs/dbraw/zinc/99/56/43/824995643.db2.gz STNISFDDBLEEAH-GYSYKLTISA-N 2 0 268.405 -0.088 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@]1(N)CCC[NH2+]C1 ZINC001220252008 824995733 /nfs/dbraw/zinc/99/57/33/824995733.db2.gz LLCCBTGACVVGKV-YPMHNXCESA-N 2 0 254.378 -0.332 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220252269 824996429 /nfs/dbraw/zinc/99/64/29/824996429.db2.gz UDWCYASKTATQHN-YRGRVCCFSA-N 2 0 266.389 -0.462 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220254173 824996509 /nfs/dbraw/zinc/99/65/09/824996509.db2.gz LKUZRKJXQAHKEA-CYBMUJFWSA-N 3 0 299.463 -0.559 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220253725 824996882 /nfs/dbraw/zinc/99/68/82/824996882.db2.gz ALTKGVORUTYTRG-IUODEOHRSA-N 3 0 282.432 -0.111 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220254745 824996959 /nfs/dbraw/zinc/99/69/59/824996959.db2.gz VZWZSWMMJBIHAY-UONOGXRCSA-N 3 0 297.447 -0.663 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220251805 824997018 /nfs/dbraw/zinc/99/70/18/824997018.db2.gz FYWKBWFIQXJVBE-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP C=CC(=O)NCCNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220396735 825030765 /nfs/dbraw/zinc/03/07/65/825030765.db2.gz JZSHIMFZKXNBTI-JTQLQIEISA-N 2 0 256.350 -0.749 20 0 CBADRP [NH3+]CCN(C(=O)CN1CC[NH2+]CC1)c1cccnc1 ZINC001220261112 824998652 /nfs/dbraw/zinc/99/86/52/824998652.db2.gz RDKWRCASDWKLCE-UHFFFAOYSA-N 2 0 263.345 -0.722 20 0 CBADRP [NH3+][C@H](C(=O)N[C@H]1CCc2n[nH]cc2C1)C1CC[NH2+]CC1 ZINC001220261236 824999316 /nfs/dbraw/zinc/99/93/16/824999316.db2.gz VMRPPYQFIIAMIX-AAEUAGOBSA-N 2 0 277.372 -0.290 20 0 CBADRP N[C@]1(C(=O)N(CC[NH3+])c2cccnc2)CCC[NH2+]C1 ZINC001220263319 824999981 /nfs/dbraw/zinc/99/99/81/824999981.db2.gz GGWCPWHGIUWBFS-CYBMUJFWSA-N 2 0 263.345 -0.546 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001220272181 825001348 /nfs/dbraw/zinc/00/13/48/825001348.db2.gz SNMYAELFEYZREU-NEPJUHHUSA-N 2 0 255.362 -0.491 20 0 CBADRP COCCn1cncc1CNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220274584 825002978 /nfs/dbraw/zinc/00/29/78/825002978.db2.gz JLBDJMSUAKACCJ-LBPRGKRZSA-N 2 0 283.376 -0.398 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001220277142 825003061 /nfs/dbraw/zinc/00/30/61/825003061.db2.gz SBJVWQCHIQPGCN-MCIONIFRSA-N 2 0 299.415 -0.332 20 0 CBADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC001220282898 825004849 /nfs/dbraw/zinc/00/48/49/825004849.db2.gz QDYBWTJITALTLN-VHSXEESVSA-N 2 0 271.361 -0.086 20 0 CBADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC001220283622 825005043 /nfs/dbraw/zinc/00/50/43/825005043.db2.gz ZKMOTVTZBPQIIK-STQMWFEESA-N 2 0 291.351 -0.075 20 0 CBADRP O=C(N[C@H]1COC(=O)C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220295913 825008023 /nfs/dbraw/zinc/00/80/23/825008023.db2.gz AOOYGHJFBCCZDU-ZJUUUORDSA-N 2 0 267.329 -0.708 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCN1CCC[N@H+](C)CC1 ZINC001220303945 825010580 /nfs/dbraw/zinc/01/05/80/825010580.db2.gz JQZWELUVMLPJMP-AWEZNQCLSA-N 3 0 299.463 -0.543 20 0 CBADRP C[C@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)c1cnn(C)c1 ZINC001220308626 825011729 /nfs/dbraw/zinc/01/17/29/825011729.db2.gz NDESZKWGCJKNDY-GWCFXTLKSA-N 2 0 294.403 -0.652 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220311952 825012499 /nfs/dbraw/zinc/01/24/99/825012499.db2.gz UQSLTLWIAOVCEW-JTQLQIEISA-N 3 0 280.376 -0.941 20 0 CBADRP [NH3+][C@H](C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)C1CC[NH2+]CC1 ZINC001220319144 825013931 /nfs/dbraw/zinc/01/39/31/825013931.db2.gz DIPINENMSIWVRQ-IPYPFGDCSA-N 3 0 296.415 -0.659 20 0 CBADRP N[C@]1(C(=O)N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)CCC[NH2+]C1 ZINC001220319368 825014129 /nfs/dbraw/zinc/01/41/29/825014129.db2.gz FQVHPOXPNJOOGN-IACUBPJLSA-N 2 0 282.388 -0.905 20 0 CBADRP [NH3+][C@H]1CC[C@@H]1C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220317126 825014405 /nfs/dbraw/zinc/01/44/05/825014405.db2.gz WDHBAHHVSSNUSP-ZPFDUUQYSA-N 2 0 253.346 -0.249 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001220332238 825016227 /nfs/dbraw/zinc/01/62/27/825016227.db2.gz KCKBZGWVXBWZHI-YNEHKIRRSA-N 2 0 269.389 -0.197 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](N)CC[NH3+] ZINC001220332630 825016437 /nfs/dbraw/zinc/01/64/37/825016437.db2.gz NUSZOIDNLHYNNN-RYUDHWBXSA-N 2 0 256.394 -0.101 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001220332234 825016662 /nfs/dbraw/zinc/01/66/62/825016662.db2.gz KCKBZGWVXBWZHI-AVGNSLFASA-N 2 0 269.389 -0.197 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC12CCOCC2 ZINC001220334014 825016749 /nfs/dbraw/zinc/01/67/49/825016749.db2.gz YXSXYBYEPDMJTA-STQMWFEESA-N 2 0 296.415 -0.578 20 0 CBADRP O=C(N[C@H]1CC12CCOCC2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220329357 825016840 /nfs/dbraw/zinc/01/68/40/825016840.db2.gz NHGSLONAQRIIJR-TYNCELHUSA-N 2 0 279.384 -0.129 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220331903 825016934 /nfs/dbraw/zinc/01/69/34/825016934.db2.gz FJWHGXPICSAFDY-AGIUHOORSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1cnccn1 ZINC001220369111 825021229 /nfs/dbraw/zinc/02/12/29/825021229.db2.gz STOWUNDXBIGUGP-BDAKNGLRSA-N 2 0 269.374 -0.327 20 0 CBADRP C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1cnccn1 ZINC001220368731 825021246 /nfs/dbraw/zinc/02/12/46/825021246.db2.gz LKWCSLBTZJIZKD-MISXGVKJSA-N 2 0 275.356 -0.147 20 0 CBADRP [NH3+]Cc1ccc2c(n1)N(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)CCC2 ZINC001220376928 825022612 /nfs/dbraw/zinc/02/26/12/825022612.db2.gz DRROPKCDUBXGMN-RYUDHWBXSA-N 2 0 276.340 -0.458 20 0 CBADRP N[C@]1(C(=O)N2CCCc3ccc(C[NH3+])nc32)CC[NH2+]C1 ZINC001220377083 825022811 /nfs/dbraw/zinc/02/28/11/825022811.db2.gz JHOIGJRWSPKNIJ-CQSZACIVSA-N 2 0 275.356 -0.490 20 0 CBADRP N[C@@]1(C(=O)N2CCCc3ccc(C[NH3+])nc32)CC[NH2+]C1 ZINC001220377082 825024103 /nfs/dbraw/zinc/02/41/03/825024103.db2.gz JHOIGJRWSPKNIJ-AWEZNQCLSA-N 2 0 275.356 -0.490 20 0 CBADRP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220381874 825024938 /nfs/dbraw/zinc/02/49/38/825024938.db2.gz XSKBEGJXTMTXFV-AGIUHOORSA-N 2 0 287.404 -0.476 20 0 CBADRP N[C@@]1(C(=O)N2CCCc3ccc(C[NH3+])nc32)CCC[NH2+]C1 ZINC001220377453 825025411 /nfs/dbraw/zinc/02/54/11/825025411.db2.gz YNXAJYYJHLPHRK-HNNXBMFYSA-N 2 0 289.383 -0.100 20 0 CBADRP CN1CCOC[C@H]1CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220382229 825025750 /nfs/dbraw/zinc/02/57/50/825025750.db2.gz TYRMNKKFJBGZMD-OLZOCXBDSA-N 2 0 296.415 -0.693 20 0 CBADRP C[NH+](C)CCC(C)(C)NC(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220385924 825026408 /nfs/dbraw/zinc/02/64/08/825026408.db2.gz DKLRFXIHNAKHNC-FZMZJTMJSA-N 2 0 268.405 -0.216 20 0 CBADRP O=C(NCC1(O)CCC1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220383986 825026764 /nfs/dbraw/zinc/02/67/64/825026764.db2.gz GJAHANACCZJDPI-NSHDSACASA-N 2 0 267.373 -0.108 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394309 825028069 /nfs/dbraw/zinc/02/80/69/825028069.db2.gz DQWRBTOFYJKJMG-ZDUSSCGKSA-N 2 0 291.399 -0.108 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220395124 825028236 /nfs/dbraw/zinc/02/82/36/825028236.db2.gz WZQFDJRPPVTKIN-QWRGUYRKSA-N 2 0 252.362 -0.865 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394673 825029065 /nfs/dbraw/zinc/02/90/65/825029065.db2.gz LJRCUXOJXCWCOH-NSHDSACASA-N 2 0 269.345 -0.521 20 0 CBADRP CCOC(=O)c1cccc(CNC(=O)[C@H]([NH3+])CCC[NH3+])n1 ZINC001220400770 825029704 /nfs/dbraw/zinc/02/97/04/825029704.db2.gz MCNHJSYMVPQQGH-LLVKDONJSA-N 2 0 294.355 -0.059 20 0 CBADRP [NH3+][C@@H](Cc1cccc(O)c1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220429710 825037351 /nfs/dbraw/zinc/03/73/51/825037351.db2.gz XVLAZFMZKCGIPZ-AAEUAGOBSA-N 2 0 279.340 -0.633 20 0 CBADRP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220429659 825037825 /nfs/dbraw/zinc/03/78/25/825037825.db2.gz WOAUEEHXQVVCBX-GMTAPVOTSA-N 2 0 273.377 -0.378 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@H](CO)C(F)(F)F ZINC001220447247 825041595 /nfs/dbraw/zinc/04/15/95/825041595.db2.gz FIGHBIPVRGHGNC-NTSWFWBYSA-N 2 0 275.296 -0.955 20 0 CBADRP O=C(NC[C@H](O)C1CCCCC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220466318 825044860 /nfs/dbraw/zinc/04/48/60/825044860.db2.gz ATMYVNQLWMUAIA-OLZOCXBDSA-N 2 0 281.400 -0.147 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1[nH]c(=O)nc2nc[nH]c21 ZINC001220470962 825046786 /nfs/dbraw/zinc/04/67/86/825046786.db2.gz AIPAUMSCQCRXKE-ZETCQYMHSA-N 2 0 293.331 -0.286 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC001220497128 825050144 /nfs/dbraw/zinc/05/01/44/825050144.db2.gz KWDALIYFARBNBZ-XYZCENFISA-N 2 0 261.391 -0.530 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)NCC1([NH3+])CCCC1 ZINC001220494608 825049876 /nfs/dbraw/zinc/04/98/76/825049876.db2.gz PISNCBSIJNIJKK-JTQLQIEISA-N 2 0 251.334 -0.333 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001220501674 825052339 /nfs/dbraw/zinc/05/23/39/825052339.db2.gz SXIZEINBQQDFPV-RYUDHWBXSA-N 2 0 265.313 -0.307 20 0 CBADRP CN(CC[NH3+])CCNC(=O)[C@@H]([NH3+])C1Cc2ccccc2C1 ZINC001220517246 825053050 /nfs/dbraw/zinc/05/30/50/825053050.db2.gz COCVTJITLFRFMU-HNNXBMFYSA-N 2 0 290.411 -0.265 20 0 CBADRP C[C@]1(C(=O)NCCOCCOCC[NH3+])CCC[NH2+]1 ZINC001220519480 825053918 /nfs/dbraw/zinc/05/39/18/825053918.db2.gz PRNXECRPORDXIZ-GFCCVEGCSA-N 2 0 259.350 -0.763 20 0 CBADRP [NH3+]CCOCCOCCNC(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001220519302 825054085 /nfs/dbraw/zinc/05/40/85/825054085.db2.gz JLTQGXZAPNJUBM-QWRGUYRKSA-N 2 0 277.340 -0.958 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@]2(C)CC[NH2+]C2)CC[NH2+]C1 ZINC001220523137 825055647 /nfs/dbraw/zinc/05/56/47/825055647.db2.gz JPBIBDUIKLEPHZ-CQSZACIVSA-N 2 0 281.356 -0.087 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C[C@H]2COCC[NH2+]2)CC[NH2+]C1 ZINC001220523325 825056149 /nfs/dbraw/zinc/05/61/49/825056149.db2.gz MIUHUBMBWMBTCV-JTQLQIEISA-N 2 0 297.355 -0.708 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1nccc(Cl)n1 ZINC001220530226 825059523 /nfs/dbraw/zinc/05/95/23/825059523.db2.gz NZXANWAQNMOBLG-ZETCQYMHSA-N 2 0 257.725 -0.188 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1cccc2ccnn21 ZINC001220553449 825061580 /nfs/dbraw/zinc/06/15/80/825061580.db2.gz MDBPHNRZNAGPIB-LBPRGKRZSA-N 2 0 293.396 -0.030 20 0 CBADRP C[C@@H]1COCC[C@@H]1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220565914 825062755 /nfs/dbraw/zinc/06/27/55/825062755.db2.gz UXAFDLAYLDPAIX-UTLUCORTSA-N 2 0 261.391 -0.453 20 0 CBADRP C[C@@H]1COCC[C@@H]1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220565228 825063988 /nfs/dbraw/zinc/06/39/88/825063988.db2.gz KWPBGFVSEPNVCS-WXHSDQCUSA-N 2 0 284.404 -0.722 20 0 CBADRP O=C(NCOc1ccccc1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220563593 825064006 /nfs/dbraw/zinc/06/40/06/825064006.db2.gz ZACIBJAZUYCOBV-LBPRGKRZSA-N 2 0 261.325 -0.052 20 0 CBADRP C[C@@H]1COCC[C@@H]1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220566140 825064852 /nfs/dbraw/zinc/06/48/52/825064852.db2.gz ZXAJXNUVIOGEMQ-MXWKQRLJSA-N 2 0 253.346 -0.663 20 0 CBADRP C[C@@H]1COCC[C@H]1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220566139 825064895 /nfs/dbraw/zinc/06/48/95/825064895.db2.gz ZXAJXNUVIOGEMQ-GMTAPVOTSA-N 2 0 253.346 -0.663 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1O ZINC001220574592 825068573 /nfs/dbraw/zinc/06/85/73/825068573.db2.gz FXQPRYHEGUJRGJ-NEPJUHHUSA-N 2 0 273.377 -0.864 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)C1CC[NH2+]CC1 ZINC001220583705 825071936 /nfs/dbraw/zinc/07/19/36/825071936.db2.gz VMPFDXVUQSQECK-UHFFFAOYSA-N 2 0 257.334 -0.664 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220585129 825072245 /nfs/dbraw/zinc/07/22/45/825072245.db2.gz YGAFIUOEPOHAEG-MCIONIFRSA-N 2 0 299.415 -0.474 20 0 CBADRP O=C(N[C@@H]1CNc2ccccc2C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220599259 825076679 /nfs/dbraw/zinc/07/66/79/825076679.db2.gz QXOUDVXMKFGLGH-QWHCGFSZSA-N 2 0 286.379 -0.052 20 0 CBADRP [NH3+][C@H](C(=O)N[C@@H]1NC(=O)c2ccccc21)C1CC[NH2+]CC1 ZINC001220620183 825077141 /nfs/dbraw/zinc/07/71/41/825077141.db2.gz QEEWFQAWJTYCAA-STQMWFEESA-N 2 0 288.351 -0.128 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1ccccc1-n1cnnn1 ZINC001220667894 825081833 /nfs/dbraw/zinc/08/18/33/825081833.db2.gz GCUSLNBJLUUGLB-LLVKDONJSA-N 2 0 289.343 -0.655 20 0 CBADRP CCOC(=O)[C@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)[C@@H](C)CC ZINC001220665771 825083166 /nfs/dbraw/zinc/08/31/66/825083166.db2.gz KNQVLDDNCSZGSB-SDDRHHMPSA-N 2 0 297.399 -0.111 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220680740 825084126 /nfs/dbraw/zinc/08/41/26/825084126.db2.gz PKGRKZJAUYEPCI-KNZXXDILSA-N 2 0 252.362 -0.678 20 0 CBADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220678867 825085656 /nfs/dbraw/zinc/08/56/56/825085656.db2.gz OPNRWLBMLFKNHY-DGMCESFYSA-N 2 0 278.400 -0.273 20 0 CBADRP CC(C)(CC(=O)N1CCCC1)NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220687677 825088204 /nfs/dbraw/zinc/08/82/04/825088204.db2.gz RDJRAMMAVGUIFO-LLVKDONJSA-N 2 0 284.404 -0.040 20 0 CBADRP CC(C)(C)NC(=O)CCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220709092 825090002 /nfs/dbraw/zinc/09/00/02/825090002.db2.gz RAMLTXVDHNJHMS-LBPRGKRZSA-N 2 0 284.404 -0.266 20 0 CBADRP Nc1ncc(CCNC(=O)[C@@H]([NH3+])CSCC[NH3+])s1 ZINC001220704856 825090221 /nfs/dbraw/zinc/09/02/21/825090221.db2.gz VGVMZYNXGQITGF-QMMMGPOBSA-N 2 0 289.430 -0.597 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)Nc1cccnc1C[NH3+] ZINC001220712306 825090917 /nfs/dbraw/zinc/09/09/17/825090917.db2.gz YVQRIMXXVDJADL-ASCAZGACSA-N 2 0 270.358 -0.425 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1cccnc1C[NH3+] ZINC001220711615 825090950 /nfs/dbraw/zinc/09/09/50/825090950.db2.gz QHYIGQCTKSVOMN-VIFPVBQESA-N 3 0 251.334 -0.065 20 0 CBADRP C[C@H]1COCCN1CCNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220725526 825093014 /nfs/dbraw/zinc/09/30/14/825093014.db2.gz TWNDKRRVOBPBHD-STQMWFEESA-N 2 0 286.420 -0.330 20 0 CBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@]1(N)CC[NH2+]C1)C2 ZINC001220717016 825093470 /nfs/dbraw/zinc/09/34/70/825093470.db2.gz XAJWJALEBWHFLP-NRWUCQMLSA-N 2 0 266.389 -0.191 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001220743550 825095813 /nfs/dbraw/zinc/09/58/13/825095813.db2.gz HBOWNEJOALMLDZ-ZDUSSCGKSA-N 2 0 278.356 -0.124 20 0 CBADRP O=C(NC1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[NH2+]C[C@H]1O ZINC001220743628 825096539 /nfs/dbraw/zinc/09/65/39/825096539.db2.gz KHIHNVQZEAZHQL-UONOGXRCSA-N 2 0 290.367 -0.253 20 0 CBADRP CC(=O)NC[C@@H](C)CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220756500 825096865 /nfs/dbraw/zinc/09/68/65/825096865.db2.gz FGWHNWGFYRPCKN-DGCLKSJQSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(=O)NCCCCCNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220759267 825096887 /nfs/dbraw/zinc/09/68/87/825096887.db2.gz UTRCDGWPWITHJY-LLVKDONJSA-N 2 0 258.366 -0.525 20 0 CBADRP CC(=O)NC[C@@H](C)CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220756502 825097667 /nfs/dbraw/zinc/09/76/67/825097667.db2.gz FGWHNWGFYRPCKN-YPMHNXCESA-N 2 0 296.415 -0.251 20 0 CBADRP CC(=O)NC[C@H](C)CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220756757 825097784 /nfs/dbraw/zinc/09/77/84/825097784.db2.gz JGQTUKJCUGZDHH-ZKYQVNSYSA-N 2 0 282.388 -0.926 20 0 CBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001220768710 825098672 /nfs/dbraw/zinc/09/86/72/825098672.db2.gz ZFZUTIWACCAKEV-NEPJUHHUSA-N 2 0 291.367 -0.915 20 0 CBADRP CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220765867 825098918 /nfs/dbraw/zinc/09/89/18/825098918.db2.gz GYGFABAHPNNWDL-LPEHRKFASA-N 2 0 253.346 -0.929 20 0 CBADRP NC1(C(=O)N[C@]23CC[C@]([NH3+])(C2)CCC3)CC[NH2+]CC1 ZINC001220778623 825101601 /nfs/dbraw/zinc/10/16/01/825101601.db2.gz AALSTMMDWBDSQO-QWHCGFSZSA-N 2 0 266.389 -0.012 20 0 CBADRP O=C(NC[C@H]1CC[NH2+][C@@H]1c1cccnc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220787968 825101972 /nfs/dbraw/zinc/10/19/72/825101972.db2.gz AAYNOKZFEOVFFE-AAVRWANBSA-N 2 0 290.367 -0.429 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220791084 825102199 /nfs/dbraw/zinc/10/21/99/825102199.db2.gz WTQNMOOSVXHCNT-DZGCQCFKSA-N 3 0 291.399 -0.213 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220789072 825102795 /nfs/dbraw/zinc/10/27/95/825102795.db2.gz JAFHXVZGWHOQCK-RFGFWPKPSA-N 2 0 289.383 -0.605 20 0 CBADRP [NH3+]CCNCC(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220789548 825102813 /nfs/dbraw/zinc/10/28/13/825102813.db2.gz LPDIOJQULSAEPE-GXTWGEPZSA-N 2 0 277.372 -0.603 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220799408 825103397 /nfs/dbraw/zinc/10/33/97/825103397.db2.gz ANJACHUMMMSUHO-GJMOJQLCSA-N 2 0 269.267 -0.647 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220800639 825104145 /nfs/dbraw/zinc/10/41/45/825104145.db2.gz SLRXOEPTPGJRMR-CIUDSAMLSA-N 3 0 282.310 -0.291 20 0 CBADRP [NH3+]CCNCC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220803668 825104151 /nfs/dbraw/zinc/10/41/51/825104151.db2.gz JXRGDMIPKSYSEI-JGVFFNPUSA-N 2 0 268.283 -0.809 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220806153 825104343 /nfs/dbraw/zinc/10/43/43/825104343.db2.gz YLHCGXVOFNGBDM-BZNPZCIMSA-N 2 0 281.278 -0.634 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220800953 825104415 /nfs/dbraw/zinc/10/44/15/825104415.db2.gz WDJGZTPBCQGYIX-VGMNWLOBSA-N 2 0 297.277 -0.467 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCCN1CCC(F)(F)C1 ZINC001220808643 825105421 /nfs/dbraw/zinc/10/54/21/825105421.db2.gz UCMYVAKDCOLDGT-JTQLQIEISA-N 2 0 278.347 -0.100 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]C[C@@H](F)C2)C[NH2+]C1 ZINC001220826804 825106699 /nfs/dbraw/zinc/10/66/99/825106699.db2.gz AHQIYZONKNCBMV-BDAKNGLRSA-N 2 0 285.319 -0.529 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)C[NH2+]C1 ZINC001220827227 825107584 /nfs/dbraw/zinc/10/75/84/825107584.db2.gz KJEOEGIVXDGVDC-HZMBPMFUSA-N 2 0 279.340 -0.477 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]2[NH2+][C@H]3CC[C@@H]2C3)C[NH2+]C1 ZINC001220829148 825108258 /nfs/dbraw/zinc/10/82/58/825108258.db2.gz YLJYDDICFDJIAO-PTRXPTGYSA-N 2 0 279.340 -0.337 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C2([NH+](C)C)CC2)C[NH2+]C1 ZINC001220829093 825108385 /nfs/dbraw/zinc/10/83/85/825108385.db2.gz XMHQSKKUTGWRHI-UHFFFAOYSA-N 2 0 267.329 -0.383 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[C@@H](OC)CC[NH2+]2)C[NH2+]C1 ZINC001220830456 825109400 /nfs/dbraw/zinc/10/94/00/825109400.db2.gz XRAHQYOQJDTKEB-GXSJLCMTSA-N 2 0 297.355 -0.710 20 0 CBADRP CCOC(=O)[C@@H](C)CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220848782 825110717 /nfs/dbraw/zinc/11/07/17/825110717.db2.gz IVSBRWAMHHVRAH-ONGXEEELSA-N 2 0 271.361 -0.371 20 0 CBADRP CCOC(=O)C1(NC(=O)C=C2CC[NH2+]CC2)C[NH2+]C1 ZINC001220850919 825112086 /nfs/dbraw/zinc/11/20/86/825112086.db2.gz AHWFTBGUCAZMQW-UHFFFAOYSA-N 2 0 267.329 -0.683 20 0 CBADRP CCOC(=O)C1(NC(=O)C[C@H]([NH3+])[C@@H](C)CC)C[NH2+]C1 ZINC001220851221 825112130 /nfs/dbraw/zinc/11/21/30/825112130.db2.gz MTPDWLLIDFSEPQ-UWVGGRQHSA-N 2 0 271.361 -0.229 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH3+] ZINC001220853264 825112139 /nfs/dbraw/zinc/11/21/39/825112139.db2.gz STCJFCXHDFQKKI-LBPRGKRZSA-N 2 0 265.313 -0.348 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@H]2C[NH2+]CC2(C)C)C[NH2+]C1 ZINC001220853014 825112148 /nfs/dbraw/zinc/11/21/48/825112148.db2.gz HVZGJIZKLULBRD-SECBINFHSA-N 2 0 269.345 -0.747 20 0 CBADRP CCCC[C@H]([NH2+]C)C(=O)NC1(C(=O)OCC)C[NH2+]C1 ZINC001220851471 825112193 /nfs/dbraw/zinc/11/21/93/825112193.db2.gz XHJSKQWKLBUVDR-JTQLQIEISA-N 2 0 271.361 -0.214 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH3+] ZINC001220853069 825112526 /nfs/dbraw/zinc/11/25/26/825112526.db2.gz KHWOAABWMKSWCR-LBPRGKRZSA-N 3 0 250.346 -0.172 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220857756 825113604 /nfs/dbraw/zinc/11/36/04/825113604.db2.gz QNJUIWFUWZSNCP-NRUUGDAUSA-N 2 0 254.378 -0.573 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220860025 825113541 /nfs/dbraw/zinc/11/35/41/825113541.db2.gz YJQKBHGDGYUGRS-WDEREUQCSA-N 3 0 256.394 -0.197 20 0 CBADRP CCOC(=O)C1(C(=O)N[C@@H](C[NH3+])C(C)(C)C)C[NH2+]C1 ZINC001220859996 825113611 /nfs/dbraw/zinc/11/36/11/825113611.db2.gz WRLFGGJBHDLGMQ-VIFPVBQESA-N 2 0 271.361 -0.371 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)NCc1ccccc1C[NH3+] ZINC001220855361 825113655 /nfs/dbraw/zinc/11/36/55/825113655.db2.gz VNPRICIPKPWJTO-UHFFFAOYSA-N 3 0 250.346 -0.300 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220859993 825114059 /nfs/dbraw/zinc/11/40/59/825114059.db2.gz WOUFRHBHPFBKKH-RYUDHWBXSA-N 3 0 285.436 -0.774 20 0 CBADRP O=C(NCCc1c[nH]c2cc[nH+]cc12)[C@H]1[NH2+]CC[C@H]1O ZINC001220868421 825114817 /nfs/dbraw/zinc/11/48/17/825114817.db2.gz ITMQZKSMDYATPY-OLZOCXBDSA-N 2 0 274.324 -0.056 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCCO[C@H]1CCCCO1 ZINC001220862328 825115082 /nfs/dbraw/zinc/11/50/82/825115082.db2.gz XLGPAPRDZXDVDT-QWRGUYRKSA-N 2 0 259.350 -0.288 20 0 CBADRP O=C(NCc1cc2ccncc2[nH]1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220868856 825117254 /nfs/dbraw/zinc/11/72/54/825117254.db2.gz XDOMSCVNPMTBEE-LBPRGKRZSA-N 2 0 285.351 -0.012 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CCSC12C[NH2+]C2 ZINC001220884820 825119610 /nfs/dbraw/zinc/11/96/10/825119610.db2.gz OCISSMKFBQLMJZ-ZJUUUORDSA-N 2 0 255.387 -0.050 20 0 CBADRP CC(C)[NH+]1CCN(CC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC001220884715 825119631 /nfs/dbraw/zinc/11/96/31/825119631.db2.gz LFVIBXZNPIZIPF-CYBMUJFWSA-N 2 0 268.405 -0.119 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@@H]1C[C@@H]1C(=O)OC ZINC001220881928 825120074 /nfs/dbraw/zinc/12/00/74/825120074.db2.gz QCQYGIJLBSAIGC-DCAQKATOSA-N 2 0 271.361 -0.371 20 0 CBADRP O=C(C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)N[C@H]1CCC[NH2+]C1 ZINC001220885056 825120135 /nfs/dbraw/zinc/12/01/35/825120135.db2.gz WZFXDOMVJNSYRS-NNYUYHANSA-N 2 0 253.346 -0.378 20 0 CBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)COC1(C)C ZINC001220889936 825120875 /nfs/dbraw/zinc/12/08/75/825120875.db2.gz QYAKVGDHGVTXQQ-AXFHLTTASA-N 2 0 298.387 -0.835 20 0 CBADRP CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC001220889221 825120906 /nfs/dbraw/zinc/12/09/06/825120906.db2.gz GDDBFMGWGMCVHN-NWDGAFQWSA-N 2 0 268.405 -0.073 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220889207 825120976 /nfs/dbraw/zinc/12/09/76/825120976.db2.gz FRHVUDIMTNFCTF-QWRGUYRKSA-N 2 0 270.377 -0.656 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001220886745 825121009 /nfs/dbraw/zinc/12/10/09/825121009.db2.gz LKHVMCSIRHYDDA-MJBXVCDLSA-N 2 0 280.416 -0.072 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CCC[NH2+]C1 ZINC001220886944 825121574 /nfs/dbraw/zinc/12/15/74/825121574.db2.gz QFLCVCAXVSGFPG-QWRGUYRKSA-N 2 0 270.377 -0.656 20 0 CBADRP CCC(=O)N1CC[C@H](NC(=O)[C@H](CCCC[NH3+])[NH2+]C)C1 ZINC001220906924 825122117 /nfs/dbraw/zinc/12/21/17/825122117.db2.gz BWRHYWKRWMWFJW-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP [NH3+]CCNCC(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220931210 825123892 /nfs/dbraw/zinc/12/38/92/825123892.db2.gz ZFXHMHOTAJNJDY-XYPYZODXSA-N 2 0 270.377 -0.968 20 0 CBADRP N[C@@]1(C(=O)N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CCC[NH2+]C1 ZINC001220929984 825124017 /nfs/dbraw/zinc/12/40/17/825124017.db2.gz ISFYYOTYQFZHNV-HUBLWGQQSA-N 2 0 296.415 -0.435 20 0 CBADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@H]2C[NH2+]C[C@H]2O)C2COC2)CC1 ZINC001220929792 825124289 /nfs/dbraw/zinc/12/42/89/825124289.db2.gz FJNOXEWTZJGGEB-XRRVDJEJSA-N 2 0 283.372 -0.936 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCO[C@@H]2CC[NH2+]C2)C1 ZINC001220936275 825125130 /nfs/dbraw/zinc/12/51/30/825125130.db2.gz DUNWWCMSAKICAO-IJLUTSLNSA-N 2 0 255.362 -0.131 20 0 CBADRP Cc1noc(C2(NC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)CC2)n1 ZINC001220932019 825125683 /nfs/dbraw/zinc/12/56/83/825125683.db2.gz FOHMHVCOBAJKGI-SECBINFHSA-N 2 0 277.328 -0.708 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@H]1CCCc2nccnc21 ZINC001220950662 825127266 /nfs/dbraw/zinc/12/72/66/825127266.db2.gz BLUZNXHWOJUOQK-ONGXEEELSA-N 2 0 295.412 -0.011 20 0 CBADRP O=C(NCCO[C@H]1CC[NH2+]C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220937673 825127436 /nfs/dbraw/zinc/12/74/36/825127436.db2.gz XHAHXRYQDHEQMH-STQMWFEESA-N 3 0 296.415 -0.645 20 0 CBADRP O=C(NCCO[C@H]1CC[NH2+]C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220937672 825127520 /nfs/dbraw/zinc/12/75/20/825127520.db2.gz XHAHXRYQDHEQMH-QWHCGFSZSA-N 3 0 296.415 -0.645 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCC(=O)NCc1ccc(F)cc1 ZINC001220939068 825127775 /nfs/dbraw/zinc/12/77/75/825127775.db2.gz GLHNOURWJUZNND-LBPRGKRZSA-N 2 0 296.346 -0.376 20 0 CBADRP N=c1ncc(C[NH3+])cn1C(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001220951370 825128829 /nfs/dbraw/zinc/12/88/29/825128829.db2.gz YVTYTAVNCRKZJG-IUCAKERBSA-N 2 0 253.281 -0.591 20 0 CBADRP COc1ccc(CNC(=O)C2(N)CC[NH2+]CC2)nc1OC ZINC001220956169 825129253 /nfs/dbraw/zinc/12/92/53/825129253.db2.gz WGBXNLLWGCMAAZ-UHFFFAOYSA-N 2 0 294.355 -0.204 20 0 CBADRP COc1ccc(CNC(=O)[C@@H](N)CC[NH3+])nc1OC ZINC001220954908 825129294 /nfs/dbraw/zinc/12/92/94/825129294.db2.gz AGHYHZVDIGNMBT-VIFPVBQESA-N 2 0 268.317 -0.609 20 0 CBADRP N[C@@H](C[NH3+])C(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001220973467 825130316 /nfs/dbraw/zinc/13/03/16/825130316.db2.gz WVAKCALLXYHOPF-NSHDSACASA-N 2 0 254.378 -0.218 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])CCO1 ZINC001221010313 825135801 /nfs/dbraw/zinc/13/58/01/825135801.db2.gz FHMCDGQWZOBABF-BBBLOLIVSA-N 2 0 261.391 -0.311 20 0 CBADRP Cc1nnc(CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)o1 ZINC001221010918 825135852 /nfs/dbraw/zinc/13/58/52/825135852.db2.gz UFDOWYGDGXYRRA-BXKDBHETSA-N 2 0 265.317 -0.807 20 0 CBADRP O=C(N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1)[C@H]1[NH2+]CC[C@H]1O ZINC001221056777 825140275 /nfs/dbraw/zinc/14/02/75/825140275.db2.gz ZPZJTHZDIRIPHJ-SYQHCUMBSA-N 2 0 297.399 -0.531 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N(CC[NH3+])c1ccc(F)cc1 ZINC001221060856 825140411 /nfs/dbraw/zinc/14/04/11/825140411.db2.gz RCSUVRZKZKVMGF-NSHDSACASA-N 2 0 254.309 -0.207 20 0 CBADRP COC(=O)c1ccc(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)[nH]1 ZINC001221079562 825141342 /nfs/dbraw/zinc/14/13/42/825141342.db2.gz FGELMVAUVGNRMU-SNVBAGLBSA-N 2 0 292.339 -0.774 20 0 CBADRP COC(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CCCC[NH3+])[nH]1 ZINC001221079717 825142046 /nfs/dbraw/zinc/14/20/46/825142046.db2.gz KRFXJXRYPHNWAY-JTQLQIEISA-N 2 0 282.344 -0.126 20 0 CBADRP Cc1nccnc1CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001221103748 825143439 /nfs/dbraw/zinc/14/34/39/825143439.db2.gz PYKWMJDEFFUOKI-VIFPVBQESA-N 2 0 269.374 -0.580 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221123652 825145030 /nfs/dbraw/zinc/14/50/30/825145030.db2.gz DPXUJDNUJSGCOQ-LBPRGKRZSA-N 2 0 277.372 -0.547 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC001221134345 825146754 /nfs/dbraw/zinc/14/67/54/825146754.db2.gz WYDIVGIAVYPNNT-GHMZBOCLSA-N 2 0 271.361 -0.934 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001221133929 825147359 /nfs/dbraw/zinc/14/73/59/825147359.db2.gz CHRLLPJEEZQDFZ-LLVKDONJSA-N 3 0 272.393 -0.591 20 0 CBADRP COCC1(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCOCC1 ZINC001221177018 825151070 /nfs/dbraw/zinc/15/10/70/825151070.db2.gz XVPXYHNASILKDA-LBPRGKRZSA-N 2 0 297.399 -0.645 20 0 CBADRP COCC1(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCOCC1 ZINC001221177017 825151244 /nfs/dbraw/zinc/15/12/44/825151244.db2.gz XVPXYHNASILKDA-GFCCVEGCSA-N 2 0 297.399 -0.645 20 0 CBADRP CC(C)(C)N1CC(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001221193868 825152914 /nfs/dbraw/zinc/15/29/14/825152914.db2.gz GZEBISODJREJNE-NSHDSACASA-N 2 0 266.389 -0.606 20 0 CBADRP C[N@@H+]1CCC[C@](C)(NC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001221241082 825157890 /nfs/dbraw/zinc/15/78/90/825157890.db2.gz NIOATFLQSLAXKD-FPMFFAJLSA-N 2 0 266.389 -0.462 20 0 CBADRP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001221241090 825157975 /nfs/dbraw/zinc/15/79/75/825157975.db2.gz NJWJLPNQMVSITE-WCQYABFASA-N 2 0 265.361 -0.120 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001221238660 825158593 /nfs/dbraw/zinc/15/85/93/825158593.db2.gz BOXSQNUSVFGNON-OUJBWJOFSA-N 2 0 270.377 -0.528 20 0 CBADRP C[N@@H+]1CCC[C@](C)(NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1 ZINC001221241068 825159248 /nfs/dbraw/zinc/15/92/48/825159248.db2.gz MXVWQWCULAAJRX-RFHZTLPTSA-N 2 0 266.389 -0.191 20 0 CBADRP C[N@@H+]1CCC[C@](C)(NC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001221243253 825160940 /nfs/dbraw/zinc/16/09/40/825160940.db2.gz HDCUJCLMQLEMRT-JQWIXIFHSA-N 3 0 274.434 -0.394 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001221254774 825161734 /nfs/dbraw/zinc/16/17/34/825161734.db2.gz SRVFCVOFYXLJIB-JQWIXIFHSA-N 3 0 254.378 -0.619 20 0 CBADRP O=C(NC1CN(C2COC2)C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221246321 825161922 /nfs/dbraw/zinc/16/19/22/825161922.db2.gz XTHJSLGDTQOIHB-CYBMUJFWSA-N 2 0 294.399 -0.940 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221248011 825162393 /nfs/dbraw/zinc/16/23/93/825162393.db2.gz GAJKSMTXTOGRJV-WCQYABFASA-N 2 0 254.378 -0.299 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@@H](F)C(C)(C)O ZINC001221260216 825163239 /nfs/dbraw/zinc/16/32/39/825163239.db2.gz KKTSMQKGRDYYPO-VHSXEESVSA-N 2 0 263.357 -0.071 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCNC(=O)C1 ZINC001221268820 825165292 /nfs/dbraw/zinc/16/52/92/825165292.db2.gz DITWGVGLPYFOPM-ZJUUUORDSA-N 2 0 256.350 -0.772 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCCCCO ZINC001221285499 825167113 /nfs/dbraw/zinc/16/71/13/825167113.db2.gz PSFGAWCMMAMXCO-GFCCVEGCSA-N 2 0 272.393 -0.984 20 0 CBADRP Cn1ncc2c1cccc2CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221306689 825168591 /nfs/dbraw/zinc/16/85/91/825168591.db2.gz WYHZAEXGADJRDX-CYBMUJFWSA-N 2 0 299.378 -0.002 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1cnc(Cl)cn1 ZINC001221319090 825170598 /nfs/dbraw/zinc/17/05/98/825170598.db2.gz MHNCLNAUHFXJEC-MRVPVSSYSA-N 2 0 257.725 -0.188 20 0 CBADRP N=C(NC(=O)[C@@H]([NH3+])CCC[NH3+])c1cnc2ccc(F)cn21 ZINC001221322799 825170866 /nfs/dbraw/zinc/17/08/66/825170866.db2.gz NJOZAPAIKBMQCM-VIFPVBQESA-N 2 0 292.318 -0.019 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ncc(C)[nH]c1=O ZINC001221328334 825171474 /nfs/dbraw/zinc/17/14/74/825171474.db2.gz JXLLBIUTCJPLHO-VIFPVBQESA-N 2 0 267.333 -0.266 20 0 CBADRP Cc1cnc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c(=O)[nH]1 ZINC001221328172 825171543 /nfs/dbraw/zinc/17/15/43/825171543.db2.gz JMOWXCRKKBZBIJ-QMMMGPOBSA-N 2 0 253.306 -0.527 20 0 CBADRP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001221332259 825172191 /nfs/dbraw/zinc/17/21/91/825172191.db2.gz IRZKTKCOXYYDHT-BFHYXJOUSA-N 2 0 275.352 -0.521 20 0 CBADRP O=C(NC1=CCOC1=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221333163 825172215 /nfs/dbraw/zinc/17/22/15/825172215.db2.gz VQAQLBKMKYLYAW-SECBINFHSA-N 2 0 265.313 -0.583 20 0 CBADRP COc1cnccc1CCNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001221338555 825173358 /nfs/dbraw/zinc/17/33/58/825173358.db2.gz ZLMGVQGBCXTCDC-LLVKDONJSA-N 2 0 266.345 -0.185 20 0 CBADRP COc1cnccc1CCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001221336482 825173982 /nfs/dbraw/zinc/17/39/82/825173982.db2.gz GCEHESJJRXYDNO-NSHDSACASA-N 2 0 298.412 -0.232 20 0 CBADRP [NH3+]CCCCNC(=O)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001221343698 825174696 /nfs/dbraw/zinc/17/46/96/825174696.db2.gz PRRUASBBGUCLBS-LBPRGKRZSA-N 2 0 291.399 -0.011 20 0 CBADRP COC1CC(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001221366970 825175831 /nfs/dbraw/zinc/17/58/31/825175831.db2.gz MBMDYKLZOSKDKL-RTBKNWGFSA-N 2 0 261.391 -0.453 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221366072 825176054 /nfs/dbraw/zinc/17/60/54/825176054.db2.gz LRJSOTFABJUQSI-RKDXNWHRSA-N 2 0 259.329 -0.544 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001221367668 825176614 /nfs/dbraw/zinc/17/66/14/825176614.db2.gz SMQIDHPMHSWSCM-AAVRWANBSA-N 2 0 298.406 -0.124 20 0 CBADRP [NH3+][C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1F)C1CC[NH2+]CC1 ZINC001221367911 825177674 /nfs/dbraw/zinc/17/76/74/825177674.db2.gz UMZXSICOGJQGIL-GMTAPVOTSA-N 3 0 258.341 -0.871 20 0 CBADRP CC1(C)C(=O)NC[C@@H]1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001221370779 825177826 /nfs/dbraw/zinc/17/78/26/825177826.db2.gz UGYJOJBTFXPZIJ-UWVGGRQHSA-N 2 0 270.377 -0.526 20 0 CBADRP NC1=CC=C(C2CCN(C(=O)[C@H]3C[NH2+]CCN3)CC2)[NH2+]C1 ZINC001221392229 825180712 /nfs/dbraw/zinc/18/07/12/825180712.db2.gz KKKXRKANESGEEY-CQSZACIVSA-N 2 0 291.399 -0.884 20 0 CBADRP C[C@@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1ccno1 ZINC001221396955 825181181 /nfs/dbraw/zinc/18/11/81/825181181.db2.gz HULMUUOXLAFIFO-SFYZADRCSA-N 2 0 258.347 -0.129 20 0 CBADRP N[C@H]1C[NH2+][C@H](C(=O)NCCCC(=O)c2cccnc2)C1 ZINC001221394033 825181246 /nfs/dbraw/zinc/18/12/46/825181246.db2.gz GTVABKHGEQYNJF-NEPJUHHUSA-N 2 0 276.340 -0.150 20 0 CBADRP N[C@]1(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CCC[NH2+]C1 ZINC001221399573 825182519 /nfs/dbraw/zinc/18/25/19/825182519.db2.gz RFILHHQGAVDDEU-GOEBONIOSA-N 2 0 288.395 -0.102 20 0 CBADRP C[NH+](C)CC1CCC(NC(=O)[C@@]2(N)CC[NH2+]C2)CC1 ZINC001221402424 825182612 /nfs/dbraw/zinc/18/26/12/825182612.db2.gz GZUAQPMPRQECHR-ORHYLEIMSA-N 2 0 268.405 -0.086 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221398348 825182794 /nfs/dbraw/zinc/18/27/94/825182794.db2.gz YFJLLYGFPBEGIX-STQMWFEESA-N 2 0 262.357 -0.507 20 0 CBADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1C[NH2+]C[C@@H](O)C1 ZINC001221397917 825182985 /nfs/dbraw/zinc/18/29/85/825182985.db2.gz QJYBWJAFMSVACG-ILXRZTDVSA-N 2 0 289.379 -0.213 20 0 CBADRP Cc1nnc(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)[nH]1 ZINC001221406553 825184212 /nfs/dbraw/zinc/18/42/12/825184212.db2.gz GKKPKBXYGBKDJP-SNVBAGLBSA-N 2 0 278.360 -0.396 20 0 CBADRP C[C@H]1CC[NH2+][C@@H](C(=O)NC2(CO)CC[NH+](C)CC2)C1 ZINC001221403762 825184414 /nfs/dbraw/zinc/18/44/14/825184414.db2.gz WXCOBWSKIBTRAO-NWDGAFQWSA-N 2 0 269.389 -0.053 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1C[C@@H]1C1CC1 ZINC001221407032 825184484 /nfs/dbraw/zinc/18/44/84/825184484.db2.gz KFTFRQWSXBDAAJ-AGIUHOORSA-N 2 0 266.389 -0.349 20 0 CBADRP COc1cccc([C@@H](C[NH3+])NC(=O)CN2CC[NH2+]CC2)c1 ZINC001221404359 825184599 /nfs/dbraw/zinc/18/45/99/825184599.db2.gz HQHJGKKLCBVSTL-CQSZACIVSA-N 2 0 292.383 -0.284 20 0 CBADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@@]2(N)CC[NH2+]C2)c1 ZINC001221406005 825184680 /nfs/dbraw/zinc/18/46/80/825184680.db2.gz YQBPLVFLVVCRCS-GXTWGEPZSA-N 2 0 278.356 -0.498 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H](N)CC[NH3+])[C@@H](C)C1 ZINC001221405856 825184686 /nfs/dbraw/zinc/18/46/86/825184686.db2.gz CDAKTLGHZZWXGU-SRVKXCTJSA-N 2 0 256.394 -0.103 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1C[C@H]1C1CC1 ZINC001221407034 825184716 /nfs/dbraw/zinc/18/47/16/825184716.db2.gz KFTFRQWSXBDAAJ-AVGNSLFASA-N 2 0 266.389 -0.349 20 0 CBADRP Cc1nnc(CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)[nH]1 ZINC001221409914 825185141 /nfs/dbraw/zinc/18/51/41/825185141.db2.gz VOAIHWFTWXUAMM-SNVBAGLBSA-N 2 0 252.322 -0.944 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)[C@@H](C)C1 ZINC001221409888 825186062 /nfs/dbraw/zinc/18/60/62/825186062.db2.gz VLYXPNZIGUPLRY-RVMXOQNASA-N 2 0 269.389 -0.056 20 0 CBADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@H]1C[NH2+]C[C@@H]1O ZINC001221411710 825187185 /nfs/dbraw/zinc/18/71/85/825187185.db2.gz XOYRHIQTSUPMHF-SDDRHHMPSA-N 2 0 253.346 -0.929 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CCNC3(CC[NH2+]CC3)C2)O1 ZINC001222086223 825199820 /nfs/dbraw/zinc/19/98/20/825199820.db2.gz UAPMUDJPCOQCTK-LBPRGKRZSA-N 2 0 268.405 -0.262 20 0 CBADRP Nc1nccnc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222095752 825200915 /nfs/dbraw/zinc/20/09/15/825200915.db2.gz YYZREQCXQOAWTD-UHFFFAOYSA-N 2 0 262.361 -0.414 20 0 CBADRP Cn1nncc1CN1CCNC2(CC[NH2+]CC2)C1 ZINC001222104871 825201482 /nfs/dbraw/zinc/20/14/82/825201482.db2.gz OSUAMADFPKMEFO-UHFFFAOYSA-N 2 0 250.350 -0.658 20 0 CBADRP CCOC(=O)[C@@]12C[N@H+](CCO)C[C@@H]1C[NH2+]CCC2 ZINC001222124964 825201515 /nfs/dbraw/zinc/20/15/15/825201515.db2.gz BKGPZJWOBGQIFN-AAEUAGOBSA-N 2 0 256.346 -0.157 20 0 CBADRP O=c1[nH]cc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c(=O)[nH]1 ZINC001222099524 825202004 /nfs/dbraw/zinc/20/20/04/825202004.db2.gz GLDJTDOJTMQAIH-UHFFFAOYSA-N 2 0 279.344 -0.585 20 0 CBADRP CC1(C)O[C@@H]2O[C@@H](C[NH+]3CCC4(C[NH2+]C4)CC3)[C@@H](O)[C@@H]2O1 ZINC001222203630 825204821 /nfs/dbraw/zinc/20/48/21/825204821.db2.gz KSYRRIZCUYFLDG-RNJOBUHISA-N 2 0 298.383 -0.091 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1CC[C@H]1CCCC[NH2+]1 ZINC001222414154 825210819 /nfs/dbraw/zinc/21/08/19/825210819.db2.gz JHPQFYJUBZXVOW-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCN1CC[C@H]1CCCC[NH2+]1 ZINC001222414157 825210754 /nfs/dbraw/zinc/21/07/54/825210754.db2.gz JHPQFYJUBZXVOW-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP C([C@@H]1COCC[NH2+]1)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492392 825213016 /nfs/dbraw/zinc/21/30/16/825213016.db2.gz WLWJDVAMKFJVTJ-AGIUHOORSA-N 2 0 254.378 -0.999 20 0 CBADRP C(C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21)[C@H]1C[NH2+]CCO1 ZINC001222491534 825213110 /nfs/dbraw/zinc/21/31/10/825213110.db2.gz DPLXAPTUDUKJJV-IHRRRGAJSA-N 3 0 268.405 -0.609 20 0 CBADRP O=C1C[N@@H+](CCCCCO)CC2(CC[NH2+]CC2)N1 ZINC001222515294 825214803 /nfs/dbraw/zinc/21/48/03/825214803.db2.gz PCYZTEQYZZNCLL-UHFFFAOYSA-N 2 0 255.362 -0.297 20 0 CBADRP Cn1cc(C[NH+]2CCC(F)(C[NH3+])CC2)c(=O)n(C)c1=O ZINC001222543462 825217264 /nfs/dbraw/zinc/21/72/64/825217264.db2.gz UTCJDSSVDFQKCY-UHFFFAOYSA-N 2 0 284.335 -0.653 20 0 CBADRP C(CN1CC[NH2+]C[C@]2(CCCCN2)C1)[C@@H]1C[NH2+]CCO1 ZINC001222668860 825221090 /nfs/dbraw/zinc/22/10/90/825221090.db2.gz NWNFICPIFGIDQI-HUUCEWRRSA-N 2 0 282.432 -0.218 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NCC1CC[NH+](CC(N)=O)CC1)C1CC1 ZINC001223465834 825229559 /nfs/dbraw/zinc/22/95/59/825229559.db2.gz MCUFDFFXCVFHPS-CQSZACIVSA-N 2 0 296.415 -0.360 20 0 CBADRP C[NH+](C)CCCC(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001224254959 825235871 /nfs/dbraw/zinc/23/58/71/825235871.db2.gz ZZWCCBLZQVESQL-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP C[NH+](C)CCOCC(=O)NCC1CC[NH+](CCO)CC1 ZINC001225167891 825255481 /nfs/dbraw/zinc/25/54/81/825255481.db2.gz FHVHTGKDOHKMNQ-UHFFFAOYSA-N 2 0 287.404 -0.615 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O)C1CC1 ZINC001226801179 825289751 /nfs/dbraw/zinc/28/97/51/825289751.db2.gz UJCPEIQLWXLUDF-YRGRVCCFSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C)C(N)=O ZINC001228355232 825316665 /nfs/dbraw/zinc/31/66/65/825316665.db2.gz JNGBYHITCLMJNA-QJPTWQEYSA-N 2 0 284.404 -0.171 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001228365648 825316766 /nfs/dbraw/zinc/31/67/66/825316766.db2.gz GUJAAKPWNPCQIL-JHJVBQTASA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](C(N)=O)N1CCC(NC(=O)CCn2ccnc2)CC1 ZINC001228516201 825319439 /nfs/dbraw/zinc/31/94/39/825319439.db2.gz HZOKGRJXZCZGAA-LLVKDONJSA-N 2 0 293.371 -0.272 20 0 CBADRP COC[C@@H](O)C[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228999082 825325967 /nfs/dbraw/zinc/32/59/67/825325967.db2.gz MXJZINQADCTUJZ-ZDUSSCGKSA-N 2 0 287.404 -0.474 20 0 CBADRP C[NH+](C)CCC(=O)NC1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC001228999266 825326094 /nfs/dbraw/zinc/32/60/94/825326094.db2.gz QVDQRFCTLYMDIJ-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](O)C[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228999691 825326205 /nfs/dbraw/zinc/32/62/05/825326205.db2.gz UBFHGMAGQJICDS-NSHDSACASA-N 2 0 257.378 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001230138233 825343692 /nfs/dbraw/zinc/34/36/92/825343692.db2.gz LHNVOHVLVNKIMY-YNEHKIRRSA-N 2 0 296.415 -0.299 20 0 CBADRP COC[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230262771 825345360 /nfs/dbraw/zinc/34/53/60/825345360.db2.gz RGRYDFLIWINSAN-TZMCWYRMSA-N 2 0 299.415 -0.474 20 0 CBADRP C(CN1CCN2CC[NH2+]C[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC001234974502 825478830 /nfs/dbraw/zinc/47/88/30/825478830.db2.gz KXEHWHNHQOGADS-UONOGXRCSA-N 2 0 252.406 -0.035 20 0 CBADRP c1cc2n(c1CN1CCNC[C@]13CC[NH2+]C3)CC[NH2+]C2 ZINC001234990218 825479820 /nfs/dbraw/zinc/47/98/20/825479820.db2.gz UZYXOZNKLMNNGC-OAHLLOKOSA-N 2 0 275.400 -0.271 20 0 CBADRP c1nc2n(c1CN1CCNC[C@]13CC[NH2+]C3)CC[NH2+]CC2 ZINC001234982290 825481248 /nfs/dbraw/zinc/48/12/48/825481248.db2.gz OREFQBDSTRPGER-OAHLLOKOSA-N 2 0 290.415 -0.834 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CCO[C@@H]3CC[NH2+]C[C@@H]32)O1 ZINC001235005966 825482408 /nfs/dbraw/zinc/48/24/08/825482408.db2.gz KGZVILLYEKAKKD-SDDRHHMPSA-N 2 0 255.362 -0.226 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CCO[C@]3(C2)C[NH2+]CCOC3)O1 ZINC001234999143 825482420 /nfs/dbraw/zinc/48/24/20/825482420.db2.gz RQIRNNHYXITLIS-JSGCOSHPSA-N 2 0 285.388 -0.598 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CCO[C@@]3(C2)C[NH2+]CCOC3)O1 ZINC001234999139 825482769 /nfs/dbraw/zinc/48/27/69/825482769.db2.gz RQIRNNHYXITLIS-GXTWGEPZSA-N 2 0 285.388 -0.598 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CCN[C@]3(CC[NH2+]C3)C2)O1 ZINC001235052858 825483439 /nfs/dbraw/zinc/48/34/39/825483439.db2.gz QASDHMYCUFXQKK-AAEUAGOBSA-N 2 0 254.378 -0.652 20 0 CBADRP c1nc2n(c1CN1CCN[C@@]3(CC[NH2+]C3)C1)CC[NH2+]CC2 ZINC001235054951 825485109 /nfs/dbraw/zinc/48/51/09/825485109.db2.gz YLDIZJSZKCXJHM-OAHLLOKOSA-N 2 0 290.415 -0.834 20 0 CBADRP C[N@@H+]1CCC[C@H](CN2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001235056321 825485371 /nfs/dbraw/zinc/48/53/71/825485371.db2.gz XSVJHPYNQCLGHY-UONOGXRCSA-N 2 0 252.406 -0.035 20 0 CBADRP [NH3+]CCCCN1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001235173701 825486306 /nfs/dbraw/zinc/48/63/06/825486306.db2.gz DJRWKLQDHBBNOM-ZDUSSCGKSA-N 3 0 254.378 -0.331 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CCO[C@H]3CC[NH2+]C[C@@H]32)O1 ZINC001235212324 825488416 /nfs/dbraw/zinc/48/84/16/825488416.db2.gz KGZVILLYEKAKKD-SRVKXCTJSA-N 2 0 255.362 -0.226 20 0 CBADRP [NH3+]CCCC[N@@H+]1CCCO[C@@]2(CNCCOC2)C1 ZINC001235198256 825488586 /nfs/dbraw/zinc/48/85/86/825488586.db2.gz QQIFNMLTIYWNAT-ZDUSSCGKSA-N 2 0 257.378 -0.194 20 0 CBADRP C[C@@H]([NH3+])CN1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235206510 825488841 /nfs/dbraw/zinc/48/88/41/825488841.db2.gz UQEBAFGFHCQJNV-GFCCVEGCSA-N 2 0 281.404 -0.193 20 0 CBADRP C[C@@H](C(N)=O)N1CC[C@@H]1CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001235395936 825494373 /nfs/dbraw/zinc/49/43/73/825494373.db2.gz YYGUWEUVYLWJPX-WCQYABFASA-N 2 0 296.415 -0.123 20 0 CBADRP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC[C@@H](C4C[NH2+]C4)C3)[C@@H](O)[C@@H]2O1 ZINC001235340064 825495119 /nfs/dbraw/zinc/49/51/19/825495119.db2.gz HDDJXCJCDAYRTH-NGBXAZJTSA-N 2 0 298.383 -0.235 20 0 CBADRP COCC[NH+]1CCN(C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001235439362 825496753 /nfs/dbraw/zinc/49/67/53/825496753.db2.gz CORLMUDTKDOAJZ-LBPRGKRZSA-N 2 0 257.378 -0.025 20 0 CBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(CC[NH3+])CC2 ZINC001235520887 825501455 /nfs/dbraw/zinc/50/14/55/825501455.db2.gz JGKSFVPYZFPGMR-UHFFFAOYSA-N 2 0 281.360 -0.717 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(CC[NH3+])CC2)C1 ZINC001235580940 825504494 /nfs/dbraw/zinc/50/44/94/825504494.db2.gz NMXAMMVOZSYCQD-UHFFFAOYSA-N 2 0 298.431 -0.552 20 0 CBADRP CC(=O)N1CCO[C@@]2(C1)COCC[N@H+](CCCC[NH3+])C2 ZINC001235628812 825508810 /nfs/dbraw/zinc/50/88/10/825508810.db2.gz LJNSTGGWMKOTOA-AWEZNQCLSA-N 2 0 285.388 -0.325 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN(C[C@@H]2CCCC[NH2+]2)C1 ZINC001235775789 825514648 /nfs/dbraw/zinc/51/46/48/825514648.db2.gz RQMKOODZFOWBLL-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP COc1cncc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235868912 825515511 /nfs/dbraw/zinc/51/55/11/825515511.db2.gz GTQQKKVUJHGKAY-UHFFFAOYSA-N 2 0 293.415 -0.325 20 0 CBADRP Nc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)ccn1 ZINC001235869063 825515633 /nfs/dbraw/zinc/51/56/33/825515633.db2.gz FUXQZUZRVUGZKF-UHFFFAOYSA-N 2 0 278.404 -0.752 20 0 CBADRP FC1(CN2CC[NH2+]CCNCC[NH2+]CC2)CC[NH2+]CC1 ZINC001235868969 825515662 /nfs/dbraw/zinc/51/56/62/825515662.db2.gz HRLLQPUYLAHPER-UHFFFAOYSA-N 3 0 287.427 -0.838 20 0 CBADRP COc1cccnc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235868964 825515855 /nfs/dbraw/zinc/51/58/55/825515855.db2.gz HQDRZLRUMUHWTB-UHFFFAOYSA-N 2 0 293.415 -0.325 20 0 CBADRP Clc1ncc(CN2CC[NH2+]CCNCC[NH2+]CC2)cn1 ZINC001235872100 825516368 /nfs/dbraw/zinc/51/63/68/825516368.db2.gz ZVVOOHKPOPNYLI-UHFFFAOYSA-N 2 0 298.822 -0.286 20 0 CBADRP Cn1cncc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871073 825516818 /nfs/dbraw/zinc/51/68/18/825516818.db2.gz SHAHWALKEANAIR-UHFFFAOYSA-N 2 0 266.393 -0.996 20 0 CBADRP Clc1cnc(CN2CC[NH2+]CCNCC[NH2+]CC2)nc1 ZINC001235870822 825516830 /nfs/dbraw/zinc/51/68/30/825516830.db2.gz LWDRNTNBTGXWIP-UHFFFAOYSA-N 2 0 298.822 -0.286 20 0 CBADRP Fc1cncc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235871061 825516846 /nfs/dbraw/zinc/51/68/46/825516846.db2.gz RVIUZGQBGSWNKU-UHFFFAOYSA-N 2 0 281.379 -0.195 20 0 CBADRP Cc1c(CN2CC[NH2+]CCNCC[NH2+]CC2)cnn1C ZINC001235871917 825517052 /nfs/dbraw/zinc/51/70/52/825517052.db2.gz YSHSEJBFWZCZBP-UHFFFAOYSA-N 2 0 280.420 -0.687 20 0 CBADRP CC1(C[NH+]2CCNCC[NH2+]CCNCC2)CCOCC1 ZINC001235871017 825517166 /nfs/dbraw/zinc/51/71/66/825517166.db2.gz QZLVBEZDCKIWDP-UHFFFAOYSA-N 2 0 284.448 -0.113 20 0 CBADRP C[C@@H]1CNCC(F)(F)[C@@H]1CN(CC[NH3+])CC[NH3+] ZINC001235876653 825517754 /nfs/dbraw/zinc/51/77/54/825517754.db2.gz HCVWYFNCQDHKAC-NXEZZACHSA-N 2 0 250.337 -0.303 20 0 CBADRP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001235928639 825518398 /nfs/dbraw/zinc/51/83/98/825518398.db2.gz BPOVALSXBGVQPP-GAURVVSWSA-N 2 0 298.383 -0.235 20 0 CBADRP Nc1ccnc(F)c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235873445 825518765 /nfs/dbraw/zinc/51/87/65/825518765.db2.gz HHNYMQQQPDRDGD-UHFFFAOYSA-N 2 0 296.394 -0.613 20 0 CBADRP C[C@@H]1CNCC(F)(F)[C@H]1CN(CC[NH3+])CC[NH3+] ZINC001235876656 825518798 /nfs/dbraw/zinc/51/87/98/825518798.db2.gz HCVWYFNCQDHKAC-ZJUUUORDSA-N 2 0 250.337 -0.303 20 0 CBADRP [NH3+]CCN(CC[NH3+])Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235878360 825518827 /nfs/dbraw/zinc/51/88/27/825518827.db2.gz YFSHWTPIQUDKJM-UHFFFAOYSA-N 3 0 277.416 -0.184 20 0 CBADRP Clc1nccnc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235874904 825518840 /nfs/dbraw/zinc/51/88/40/825518840.db2.gz XARUDELFQGUPQV-UHFFFAOYSA-N 2 0 298.822 -0.286 20 0 CBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C[C@H]3CC[NH2+]3)C[C@H]1C2 ZINC001236021757 825519480 /nfs/dbraw/zinc/51/94/80/825519480.db2.gz IHMFUADDNMUEFT-VVSAWPALSA-N 2 0 279.384 -0.321 20 0 CBADRP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235994646 825519848 /nfs/dbraw/zinc/51/98/48/825519848.db2.gz OXKPPULDTCULJM-SLHIUPAKSA-N 2 0 280.328 -0.398 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236081283 825522997 /nfs/dbraw/zinc/52/29/97/825522997.db2.gz AZGBCRUNDMOADS-LBPRGKRZSA-N 2 0 256.394 -0.452 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1CCC12CC([NH3+])(C1)C2 ZINC001236194570 825523230 /nfs/dbraw/zinc/52/32/30/825523230.db2.gz OMVLNMDHMUAIHT-WPMGSTCASA-N 2 0 253.346 -0.168 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1nc2c(s1)C[NH2+]CC2 ZINC001236200107 825524024 /nfs/dbraw/zinc/52/40/24/825524024.db2.gz HZYIUSSSMGIXCT-SCZZXKLOSA-N 2 0 296.396 -0.137 20 0 CBADRP Cc1n[nH]c(C)c1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236308223 825526400 /nfs/dbraw/zinc/52/64/00/825526400.db2.gz HVUGFGVWDWHVNH-UHFFFAOYSA-N 2 0 296.419 -0.358 20 0 CBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])CCC1CC[NH2+]CC1 ZINC001236309902 825526705 /nfs/dbraw/zinc/52/67/05/825526705.db2.gz PFTSVVOCCGIDOE-UHFFFAOYSA-N 3 0 299.463 -0.508 20 0 CBADRP COC(=O)[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1N ZINC001236344756 825528234 /nfs/dbraw/zinc/52/82/34/825528234.db2.gz SJXMCQMFHLXXBJ-QJPTWQEYSA-N 2 0 255.362 -0.192 20 0 CBADRP COC(=O)[C@@H]1CN(C[C@@H]2C[NH2+]C(C)(C)O2)C[C@H]1[NH3+] ZINC001236341260 825528689 /nfs/dbraw/zinc/52/86/89/825528689.db2.gz KKOFOSGYMXSGBG-IVZWLZJFSA-N 2 0 257.334 -0.857 20 0 CBADRP COC(=O)[C@@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)C[C@@H]1[NH3+] ZINC001236349301 825529639 /nfs/dbraw/zinc/52/96/39/825529639.db2.gz GKHXJIMOUQRZNG-BDAKNGLRSA-N 2 0 296.396 -0.279 20 0 CBADRP CCOC(=O)[C@@H]1C[N@H+](CCCO)CCC12C[NH2+]C2 ZINC001237409211 825534932 /nfs/dbraw/zinc/53/49/32/825534932.db2.gz GMOGWQPOBXGCDD-NSHDSACASA-N 2 0 256.346 -0.157 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC001237471843 825535094 /nfs/dbraw/zinc/53/50/94/825535094.db2.gz PQHMNPOCHFOKPT-UHFFFAOYSA-N 2 0 273.362 -0.492 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1cnn([C@@H]2CC[NH2+]C2)c1 ZINC001237547370 825537532 /nfs/dbraw/zinc/53/75/32/825537532.db2.gz GOJIKXHSHRBTRR-SECBINFHSA-N 2 0 259.335 -0.882 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@]1(F)CCCC[NH2+]C1 ZINC001238123803 825547048 /nfs/dbraw/zinc/54/70/48/825547048.db2.gz FGPITUUAWXDBTI-VIFPVBQESA-N 2 0 253.343 -0.654 20 0 CBADRP [NH3+]CCS(=O)(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001238310764 825550500 /nfs/dbraw/zinc/55/05/00/825550500.db2.gz GJULENYATOZKQA-NEPJUHHUSA-N 2 0 269.370 -0.032 20 0 CBADRP O=S(=O)(NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C1CC1 ZINC001238242731 825550538 /nfs/dbraw/zinc/55/05/38/825550538.db2.gz QGPJPBGVUSFZLO-JTQLQIEISA-N 2 0 273.402 -0.058 20 0 CBADRP [NH3+]CCS(=O)(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001238277466 825550768 /nfs/dbraw/zinc/55/07/68/825550768.db2.gz SJUNQFLLGJFHQN-UHFFFAOYSA-N 2 0 290.433 -0.919 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001238255519 825551049 /nfs/dbraw/zinc/55/10/49/825551049.db2.gz HJDZTYFXYGFCBB-JTQLQIEISA-N 2 0 277.390 -0.834 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001238342090 825552045 /nfs/dbraw/zinc/55/20/45/825552045.db2.gz GDNBJIQEBGKZLI-WDEREUQCSA-N 2 0 277.390 -0.977 20 0 CBADRP CC(C)(C[NH3+])CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238527215 825554091 /nfs/dbraw/zinc/55/40/91/825554091.db2.gz IZDJTBCWKJSIEB-UHFFFAOYSA-N 2 0 263.407 -0.110 20 0 CBADRP [NH3+]CCS(=O)(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001238485094 825554417 /nfs/dbraw/zinc/55/44/17/825554417.db2.gz KPTGMIHXXZVCCS-GHMZBOCLSA-N 2 0 261.391 -0.213 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@H]1CC[NH2+]C[C@@H]1F ZINC001238500721 825554988 /nfs/dbraw/zinc/55/49/88/825554988.db2.gz QCUHFZMRKFWLGI-NEPJUHHUSA-N 2 0 293.408 -0.147 20 0 CBADRP C[C@@]1(CNS(=O)(=O)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC001238485080 825555169 /nfs/dbraw/zinc/55/51/69/825555169.db2.gz KFRIGNUKYGLGEA-GFCCVEGCSA-N 2 0 275.418 -0.095 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001238559167 825555715 /nfs/dbraw/zinc/55/57/15/825555715.db2.gz UFGMTUWCJRIPLN-JTQLQIEISA-N 2 0 277.390 -0.977 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001238559168 825555762 /nfs/dbraw/zinc/55/57/62/825555762.db2.gz UFGMTUWCJRIPLN-SNVBAGLBSA-N 2 0 277.390 -0.977 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)CC[NH3+] ZINC001238566832 825556160 /nfs/dbraw/zinc/55/61/60/825556160.db2.gz XHTXMJKIHFSIRC-LLVKDONJSA-N 2 0 263.407 -0.015 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001238597233 825557398 /nfs/dbraw/zinc/55/73/98/825557398.db2.gz UEPUMJYMCBYQCG-GFCCVEGCSA-N 2 0 269.370 -0.421 20 0 CBADRP C[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)[C@@H]1C[NH2+]CCO1 ZINC001238626059 825557764 /nfs/dbraw/zinc/55/77/64/825557764.db2.gz QOBIYIKWBQGMNW-JQWIXIFHSA-N 2 0 291.417 -0.718 20 0 CBADRP [NH3+]CCS(=O)(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001238695908 825561294 /nfs/dbraw/zinc/56/12/94/825561294.db2.gz TYGYXPCEYODRFI-UHFFFAOYSA-N 2 0 298.412 -0.526 20 0 CBADRP [NH3+]CCC[NH2+]CCCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238878696 825567736 /nfs/dbraw/zinc/56/77/36/825567736.db2.gz JUDRWODJDGVCSC-UHFFFAOYSA-N 3 0 292.449 -0.766 20 0 CBADRP COC[C@@H]1C[C@@H](NS(=O)(=O)CC2CC[NH2+]CC2)C[NH2+]1 ZINC001238886087 825568443 /nfs/dbraw/zinc/56/84/43/825568443.db2.gz VWTCWYSMBNGVHE-NEPJUHHUSA-N 2 0 291.417 -0.718 20 0 CBADRP O=S(=O)(NC[C@@H]1CC[NH2+]C[C@@H]1F)[C@H]1CC[NH2+]C1 ZINC001238896277 825570143 /nfs/dbraw/zinc/57/01/43/825570143.db2.gz VXPQNLRGWOGWAO-GUBZILKMSA-N 2 0 265.354 -0.785 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)CC[NH3+])[C@H](C)C1 ZINC001238912354 825571087 /nfs/dbraw/zinc/57/10/87/825571087.db2.gz LIGHDRDUGLOLTO-MNOVXSKESA-N 2 0 263.407 -0.017 20 0 CBADRP [NH3+][C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CC12CC2 ZINC001238922197 825572989 /nfs/dbraw/zinc/57/29/89/825572989.db2.gz SPGQRCJCDVRUGS-LLVKDONJSA-N 2 0 273.402 -0.261 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H](C1CC1)C1C[NH2+]C1 ZINC001238916485 825573020 /nfs/dbraw/zinc/57/30/20/825573020.db2.gz XVTVIOVWZRXKQK-ZDUSSCGKSA-N 2 0 287.429 -0.097 20 0 CBADRP [NH3+][C@@H]1CCCN(S(=O)(=O)C2CC[NH2+]CC2)CC1 ZINC001238929969 825573027 /nfs/dbraw/zinc/57/30/27/825573027.db2.gz HARCOKBWFILNQM-SNVBAGLBSA-N 2 0 261.391 -0.119 20 0 CBADRP C[C@@H]1CC[C@H](C[NH3+])N(S(=O)(=O)[C@@H]2CC[NH2+]C2)C1 ZINC001238947379 825576165 /nfs/dbraw/zinc/57/61/65/825576165.db2.gz KGKYYKGSFUMEJV-GMTAPVOTSA-N 2 0 261.391 -0.263 20 0 CBADRP C[C@@H]1CC[C@H](C[NH3+])N(S(=O)(=O)[C@H]2CC[NH2+]C2)C1 ZINC001238947383 825576281 /nfs/dbraw/zinc/57/62/81/825576281.db2.gz KGKYYKGSFUMEJV-MXWKQRLJSA-N 2 0 261.391 -0.263 20 0 CBADRP [NH3+][C@H]1CN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CC(F)(F)C1 ZINC001238962211 825577532 /nfs/dbraw/zinc/57/75/32/825577532.db2.gz FLOSNCXVZJZABI-HTQZYQBOSA-N 2 0 269.317 -0.654 20 0 CBADRP [NH3+]C[C@]1(F)CCCCN(S(=O)(=O)[C@H]2CC[NH2+]C2)C1 ZINC001238967041 825578198 /nfs/dbraw/zinc/57/81/98/825578198.db2.gz BZRDUKHEMHZPKJ-WDEREUQCSA-N 2 0 279.381 -0.169 20 0 CBADRP C[C@H]1C[NH2+]CCCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC001238968013 825578841 /nfs/dbraw/zinc/57/88/41/825578841.db2.gz VYICTORGLGOSFF-NSHDSACASA-N 2 0 275.418 0.000 20 0 CBADRP C[C@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC[NH2+]1 ZINC001238987796 825580312 /nfs/dbraw/zinc/58/03/12/825580312.db2.gz GYYUEMFFRSINJQ-NSHDSACASA-N 2 0 275.418 0.000 20 0 CBADRP [NH3+][C@H]1C[C@H](F)CN(S(=O)(=O)C2CC[NH2+]CC2)C1 ZINC001238973906 825580747 /nfs/dbraw/zinc/58/07/47/825580747.db2.gz JPXJHGRRDQSNJR-IUCAKERBSA-N 2 0 265.354 -0.561 20 0 CBADRP [NH3+]CCS(=O)(=O)N1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001239014209 825582051 /nfs/dbraw/zinc/58/20/51/825582051.db2.gz FAZFHAXCAHTJQU-CYBMUJFWSA-N 2 0 295.408 -0.036 20 0 CBADRP O=S(=O)([C@H]1CC[NH2+]C1)N1CCC[C@]12CCC[NH2+]C2 ZINC001239001206 825582069 /nfs/dbraw/zinc/58/20/69/825582069.db2.gz OBKPQBXFCARKNY-RYUDHWBXSA-N 2 0 273.402 -0.104 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001239073427 825585095 /nfs/dbraw/zinc/58/50/95/825585095.db2.gz MZQLCLQMRSACHL-NXEZZACHSA-N 2 0 265.354 -0.702 20 0 CBADRP C[NH2+]C1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC001239092341 825586103 /nfs/dbraw/zinc/58/61/03/825586103.db2.gz ZVGCIWTVXZHAOZ-UHFFFAOYSA-N 2 0 275.418 0.000 20 0 CBADRP [NH3+][C@@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@@H]1F ZINC001239098501 825587403 /nfs/dbraw/zinc/58/74/03/825587403.db2.gz DSXHPUYXSYCCIT-WDEREUQCSA-N 2 0 279.381 -0.313 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001239110384 825589818 /nfs/dbraw/zinc/58/98/18/825589818.db2.gz GFMZORWJCNHFDI-ZYHUDNBSSA-N 2 0 275.418 -0.015 20 0 CBADRP O=S(=O)([C@@H]1CC[NH2+]C1)N1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001239132553 825592037 /nfs/dbraw/zinc/59/20/37/825592037.db2.gz JFIGPMVKQBWMHF-GRYCIOLGSA-N 2 0 273.402 -0.391 20 0 CBADRP CCC[N@@H+]1C[C@@H]2CN(S(=O)(=O)CC[NH3+])C[C@@H]2C1 ZINC001239133720 825593016 /nfs/dbraw/zinc/59/30/16/825593016.db2.gz SVVUNTOTWFKUPM-PHIMTYICSA-N 2 0 261.391 -0.452 20 0 CBADRP CCOCCN(C1CC[NH2+]CC1)S(=O)(=O)CC[NH3+] ZINC001239147031 825594670 /nfs/dbraw/zinc/59/46/70/825594670.db2.gz LAVCPPWMIIBVNA-UHFFFAOYSA-N 2 0 279.406 -0.635 20 0 CBADRP [NH3+]CCS(=O)(=O)N(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001239163152 825595397 /nfs/dbraw/zinc/59/53/97/825595397.db2.gz QGACZRDDHNTRDC-JTQLQIEISA-N 2 0 261.391 -0.261 20 0 CBADRP [NH3+]C[C@@H]1CC(F)(F)CN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239173266 825595621 /nfs/dbraw/zinc/59/56/21/825595621.db2.gz GJLBWPCJVZSRJS-JTQLQIEISA-N 2 0 297.371 -0.016 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CC[C@@H](N2CCCC2)[C@@H](F)C1 ZINC001239181872 825596804 /nfs/dbraw/zinc/59/68/04/825596804.db2.gz LNEFWHBVISOLEN-WDEREUQCSA-N 2 0 279.381 -0.217 20 0 CBADRP C[NH+](C)CCNC(=S)NC1CN(C2CC[NH2+]CC2)C1 ZINC001239373590 825601395 /nfs/dbraw/zinc/60/13/95/825601395.db2.gz PWJXAHAXJXABDA-UHFFFAOYSA-N 2 0 285.461 -0.552 20 0 CBADRP CC[NH+](CC)CCCNC(=S)NC[C@H]1C[NH2+]CCN1 ZINC001239400062 825602530 /nfs/dbraw/zinc/60/25/30/825602530.db2.gz UUPLSFKGIACOMM-GFCCVEGCSA-N 2 0 287.477 -0.256 20 0 CBADRP [NH3+][C@@H]1CN(C(=S)NCC[NH+]2CCCCC2)C[C@H]1O ZINC001239405268 825602789 /nfs/dbraw/zinc/60/27/89/825602789.db2.gz IVFMWEOIJCPZCJ-GHMZBOCLSA-N 2 0 272.418 -0.649 20 0 CBADRP CC[NH+](CC)CCCNC(=S)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001239405364 825602800 /nfs/dbraw/zinc/60/28/00/825602800.db2.gz DRDVDGYIAVSRNF-VXGBXAGGSA-N 2 0 288.461 -0.013 20 0 CBADRP CC[NH+](CC)CCCNC(=S)N1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001239415857 825604081 /nfs/dbraw/zinc/60/40/81/825604081.db2.gz OPKZECMCBLENPS-NWDGAFQWSA-N 2 0 288.461 -0.156 20 0 CBADRP CS(=O)(=O)c1nc2c(c(C3=CC[NH2+]C3)n1)CC[NH2+]CC2 ZINC001243107804 825612046 /nfs/dbraw/zinc/61/20/46/825612046.db2.gz GGMCACWAYIRINK-UHFFFAOYSA-N 2 0 294.380 -0.445 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+]C[C@@H](O)CN1CCOCC1 ZINC001245981499 825615834 /nfs/dbraw/zinc/61/58/34/825615834.db2.gz HNFYVOHLFTVLRU-MELADBBJSA-N 2 0 271.405 -0.343 20 0 CBADRP O[C@@H](CN[C@H]1CC[NH2+]C[C@@H]1F)CC1(O)CC[NH2+]CC1 ZINC001245973982 825616078 /nfs/dbraw/zinc/61/60/78/825616078.db2.gz LUEBLPSZMYWXAK-WOPDTQHZSA-N 2 0 275.368 -0.859 20 0 CBADRP O[C@@H](CNC[C@H]1CCC[NH2+]1)CC1(O)CC[NH2+]CC1 ZINC001245982278 825616287 /nfs/dbraw/zinc/61/62/87/825616287.db2.gz OAQPSOFAMHJYSM-VXGBXAGGSA-N 2 0 257.378 -0.807 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CN[C@@H](CCCC[NH3+])C(=O)OC ZINC001245979353 825616296 /nfs/dbraw/zinc/61/62/96/825616296.db2.gz UTGYSYPDUFHNNT-STQMWFEESA-N 2 0 289.420 -0.051 20 0 CBADRP CCCOC[C@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001245978094 825616397 /nfs/dbraw/zinc/61/63/97/825616397.db2.gz ZBYVHWHTCNXWMY-GRYCIOLGSA-N 2 0 264.341 -0.574 20 0 CBADRP CC(C)(C)OC(=O)[C@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001245973828 825616456 /nfs/dbraw/zinc/61/64/56/825616456.db2.gz KYPOYBDQXUIFRF-GBIKHYSHSA-N 2 0 292.351 -0.659 20 0 CBADRP C[C@@H]1CC[C@@H](CNC[C@@H](O)CC2(O)CC[NH2+]CC2)[NH2+]C1 ZINC001245990552 825617446 /nfs/dbraw/zinc/61/74/46/825617446.db2.gz JGNMXLVRWHDPFI-RDBSUJKOSA-N 2 0 285.432 -0.170 20 0 CBADRP CCOC(=O)C[C@H](O)CNC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245987353 825617491 /nfs/dbraw/zinc/61/74/91/825617491.db2.gz RCWVXBKWNVDQGD-STQMWFEESA-N 2 0 299.415 -0.236 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245982605 825617531 /nfs/dbraw/zinc/61/75/31/825617531.db2.gz LLBCDZUBMPGAAY-FRRDWIJNSA-N 2 0 271.405 -0.561 20 0 CBADRP O[C@H](C[NH2+]C[C@@H]1CCC[NH2+]C1)CN1CCOCC1 ZINC001245983056 825617791 /nfs/dbraw/zinc/61/77/91/825617791.db2.gz RQCJGRMTJDBQBQ-CHWSQXEVSA-N 2 0 257.378 -0.731 20 0 CBADRP [NH3+]CC1CC[NH+](C[C@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246015280 825620794 /nfs/dbraw/zinc/62/07/94/825620794.db2.gz FYNQSICGLRKADI-CYBMUJFWSA-N 3 0 271.405 -0.477 20 0 CBADRP [NH3+]CC1CC[NH+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246015284 825621007 /nfs/dbraw/zinc/62/10/07/825621007.db2.gz FYNQSICGLRKADI-ZDUSSCGKSA-N 3 0 271.405 -0.477 20 0 CBADRP [NH3+][C@H]1CCC[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246016727 825621251 /nfs/dbraw/zinc/62/12/51/825621251.db2.gz NGLNTHGHBTXFSP-STQMWFEESA-N 3 0 271.405 -0.335 20 0 CBADRP [NH3+]CCCC[NH2+]CCCNC[C@@]1(O)CCC[NH2+]C1 ZINC001246011154 825621303 /nfs/dbraw/zinc/62/13/03/825621303.db2.gz SHXAOXVICGTPFT-CYBMUJFWSA-N 3 0 258.410 -0.591 20 0 CBADRP [NH3+]CCC[NH2+]CCCNC[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246008807 825621492 /nfs/dbraw/zinc/62/14/92/825621492.db2.gz HNLVKGXVRXMZGE-JKSUJKDBSA-N 3 0 294.443 -0.165 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CN[C@@H](CCC[NH3+])C(=O)OC ZINC001246008127 825621358 /nfs/dbraw/zinc/62/13/58/825621358.db2.gz OAFZMCUZWBIQPU-RYUDHWBXSA-N 2 0 275.393 -0.441 20 0 CBADRP [NH3+]CC1(F)CC[NH+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246019938 825621869 /nfs/dbraw/zinc/62/18/69/825621869.db2.gz BGODWIVCONMNPN-LBPRGKRZSA-N 3 0 289.395 -0.385 20 0 CBADRP CCCOC[C@@H](O)C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246019687 825622016 /nfs/dbraw/zinc/62/20/16/825622016.db2.gz JISKHPKVTOYENB-QWHCGFSZSA-N 2 0 260.378 -0.050 20 0 CBADRP C[C@@H]1CC[N@H+](C[C@H](O)CN2CCOCC2)CC[C@H]1C[NH3+] ZINC001246020280 825622296 /nfs/dbraw/zinc/62/22/96/825622296.db2.gz KJLCRJAMGYCHMK-ILXRZTDVSA-N 2 0 285.432 -0.014 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC[C@H](O)C[NH2+]C(C)(C)C ZINC001246019701 825622414 /nfs/dbraw/zinc/62/24/14/825622414.db2.gz MGJYRDMYAGIIBZ-RYUDHWBXSA-N 2 0 288.436 -0.431 20 0 CBADRP CCOC(=O)C[C@H](O)C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246018514 825622760 /nfs/dbraw/zinc/62/27/60/825622760.db2.gz DTMXZXJQZUFVMG-AAEUAGOBSA-N 2 0 274.361 -0.524 20 0 CBADRP [NH3+]C[C@H]1C[N@H+](C[C@H](O)COCc2ccco2)C[C@H]1O ZINC001246024564 825624121 /nfs/dbraw/zinc/62/41/21/825624121.db2.gz UWSAZGKUUQPSKV-GMXVVIOVSA-N 2 0 270.329 -0.592 20 0 CBADRP [NH3+]C[C@H]1C[N@H+](C[C@H](O)COCc2ccccc2)C[C@@H]1O ZINC001246021424 825624441 /nfs/dbraw/zinc/62/44/41/825624441.db2.gz MFUKMBBWRASWEL-KKUMJFAQSA-N 2 0 280.368 -0.185 20 0 CBADRP CC(C)(C)OC(=O)[C@@H](O)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246023828 825624725 /nfs/dbraw/zinc/62/47/25/825624725.db2.gz BNFOTSHBMQLMQZ-LBPRGKRZSA-N 2 0 299.415 -0.284 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@@H](O)[C@H]([NH3+])C1 ZINC001246031772 825627111 /nfs/dbraw/zinc/62/71/11/825627111.db2.gz QPQFVILLNVMAOU-GBJTYRQASA-N 2 0 279.384 -0.689 20 0 CBADRP CC(C)OC[C@@H](O)CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246031010 825627621 /nfs/dbraw/zinc/62/76/21/825627621.db2.gz ZPTNZDGZOPQUQQ-STQMWFEESA-N 2 0 257.378 -0.590 20 0 CBADRP C[C@@H]1CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001246030701 825627981 /nfs/dbraw/zinc/62/79/81/825627981.db2.gz OEBRZAHGVFZVDG-GRYCIOLGSA-N 3 0 257.378 -0.869 20 0 CBADRP [NH3+][C@@H]1CC[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CC[C@H]1F ZINC001246028262 825628071 /nfs/dbraw/zinc/62/80/71/825628071.db2.gz JFKXGOBXFMLTRT-YNEHKIRRSA-N 3 0 289.395 -0.387 20 0 CBADRP [NH3+][C@]12CC[C@H]1CN(C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246044963 825629269 /nfs/dbraw/zinc/62/92/69/825629269.db2.gz IKXVNTMPXLIFKG-SCRDCRAPSA-N 2 0 269.389 -0.725 20 0 CBADRP CCC[C@@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246059128 825631455 /nfs/dbraw/zinc/63/14/55/825631455.db2.gz YXMGUMGCHWLKKE-CYBMUJFWSA-N 2 0 258.410 -0.768 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CC[NH2+]CC2)CN1 ZINC001246073170 825632911 /nfs/dbraw/zinc/63/29/11/825632911.db2.gz QFZZKZHQFWKLEJ-NEPJUHHUSA-N 2 0 255.362 -0.131 20 0 CBADRP O[C@@]1(C[NH2+][C@H]2CCOC3(C[NH2+]C3)C2)CC[NH2+]C[C@@H]1F ZINC001246080973 825633183 /nfs/dbraw/zinc/63/31/83/825633183.db2.gz HVQCTKVWEBXMJY-GMXVVIOVSA-N 3 0 273.352 -0.841 20 0 CBADRP O[C@@]1(C[NH2+][C@H]2CSC3(C[NH2+]C3)C2)CC[NH2+]C[C@@H]1F ZINC001246080926 825633776 /nfs/dbraw/zinc/63/37/76/825633776.db2.gz GXLPSZKSRVFVOJ-JFGNBEQYSA-N 3 0 275.393 -0.514 20 0 CBADRP FC(F)(F)[C@@]1(N[C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001246078504 825633890 /nfs/dbraw/zinc/63/38/90/825633890.db2.gz AXJTWUKZUURHIU-MWLCHTKSSA-N 2 0 278.322 -0.036 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CN1 ZINC001246095857 825634758 /nfs/dbraw/zinc/63/47/58/825634758.db2.gz GMIPJQIMRZIGOR-KXNHARMFSA-N 2 0 255.362 -0.132 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CC2(C[NH2+]C2)CO1 ZINC001246127136 825637253 /nfs/dbraw/zinc/63/72/53/825637253.db2.gz KLNOFPHNFSLXBO-VXGBXAGGSA-N 3 0 266.389 -0.952 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+]C1CC3(C1)CC[NH2+]C3)CCN2 ZINC001246123749 825637427 /nfs/dbraw/zinc/63/74/27/825637427.db2.gz BOUAUPBOMBBKGU-HIFPTAJRSA-N 3 0 250.390 -0.188 20 0 CBADRP O=C1C[C@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)CCN1 ZINC001246125118 825637453 /nfs/dbraw/zinc/63/74/53/825637453.db2.gz JHRGKCKBZZNNAN-NEPJUHHUSA-N 2 0 266.389 -0.271 20 0 CBADRP O=C([C@@H]1C[C@H](N[C@H]2CCC[NH2+]C2)C[NH2+]1)N1CCSC1 ZINC001246122096 825637758 /nfs/dbraw/zinc/63/77/58/825637758.db2.gz GCPZNRHOXFDMLH-SRVKXCTJSA-N 2 0 284.429 -0.409 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2COC3(C2)CC[NH2+]CC3)CN1 ZINC001246127160 825638223 /nfs/dbraw/zinc/63/82/23/825638223.db2.gz NLQDEIKKHKWYCF-AVGNSLFASA-N 2 0 297.399 -0.362 20 0 CBADRP CCOC(=O)C[C@]1(N[C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001246133180 825638436 /nfs/dbraw/zinc/63/84/36/825638436.db2.gz UHHZKRVKHPBVEM-TZMCWYRMSA-N 2 0 296.415 -0.645 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001246132524 825638778 /nfs/dbraw/zinc/63/87/78/825638778.db2.gz LYBFMRKUZQJJDX-LPWJVIDDSA-N 3 0 266.389 -0.953 20 0 CBADRP C[C@@H]1C[C@@H](N[C@H]2CCS(=O)(=O)C23C[NH2+]C3)CC[NH2+]1 ZINC001246133570 825638855 /nfs/dbraw/zinc/63/88/55/825638855.db2.gz OKKSHBYAEQZOKV-VWYCJHECSA-N 2 0 273.402 -0.754 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)CN1 ZINC001246131585 825639153 /nfs/dbraw/zinc/63/91/53/825639153.db2.gz AEFGNDQEDRJRHL-OUAUKWLOSA-N 2 0 253.346 -0.378 20 0 CBADRP O=C([C@@H]1C[C@H](N[C@H]2C[NH2+]CC23CC3)C[NH2+]1)N1CCSC1 ZINC001246135758 825639260 /nfs/dbraw/zinc/63/92/60/825639260.db2.gz UYDBUQWXWKMZNW-SRVKXCTJSA-N 2 0 296.440 -0.409 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@@]2(NC2CCC3(C[NH2+]C3)CC2)N1 ZINC001246141504 825640307 /nfs/dbraw/zinc/64/03/07/825640307.db2.gz DFPALELTDIVDRX-BXUZGUMPSA-N 2 0 264.373 -0.314 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1C[C@H]3C[NH2+]C[C@H]3C1)CCN2 ZINC001246149027 825641320 /nfs/dbraw/zinc/64/13/20/825641320.db2.gz PSJDRVBCEFWFPM-RNJOBUHISA-N 3 0 250.390 -0.332 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@H]1CCO[C@]3(CC[NH2+]C3)C1)CCN2 ZINC001246146235 825641403 /nfs/dbraw/zinc/64/14/03/825641403.db2.gz FSFSCYPMMCVXSL-VNHYZAJKSA-N 3 0 280.416 -0.419 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)CN1 ZINC001246146605 825641610 /nfs/dbraw/zinc/64/16/10/825641610.db2.gz GVBJPHZTGCAYRH-BJJPWKGXSA-N 2 0 297.399 -0.506 20 0 CBADRP C(C[C@@H]1[C@H]2C[NH2+]C[C@H]21)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246150073 825642177 /nfs/dbraw/zinc/64/21/77/825642177.db2.gz MCSCUZPSJHLVHP-LPWJVIDDSA-N 3 0 250.390 -0.475 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CN1 ZINC001246150586 825642308 /nfs/dbraw/zinc/64/23/08/825642308.db2.gz VTZFBFBEGPVSQY-SJHCENCUSA-N 2 0 267.373 -0.132 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)CN1 ZINC001246151083 825642460 /nfs/dbraw/zinc/64/24/60/825642460.db2.gz VZBBMKRTPOIVAJ-FHUSYTEZSA-N 2 0 283.372 -0.896 20 0 CBADRP COC(=O)[C@H](CCCC[NH3+])N[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246151642 825642563 /nfs/dbraw/zinc/64/25/63/825642563.db2.gz KIXVWGXBWGQXOP-NEPJUHHUSA-N 2 0 284.404 -0.659 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001246151053 825642689 /nfs/dbraw/zinc/64/26/89/825642689.db2.gz VMNQXPBFZFPNOB-SYQHCUMBSA-N 3 0 280.416 -0.706 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CC[C@H]2[NH2+]CCO[C@@H]21 ZINC001246150042 825642703 /nfs/dbraw/zinc/64/27/03/825642703.db2.gz LXTUAKLASYDTEP-IGQOVBAYSA-N 3 0 280.416 -0.563 20 0 CBADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@]13CC[NH2+][C@@H]1CC(=O)N3)C2 ZINC001246155048 825643103 /nfs/dbraw/zinc/64/31/03/825643103.db2.gz WUZNOCNNMXBAIM-OJROKELRSA-N 2 0 264.373 -0.221 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)N1 ZINC001246155103 825643431 /nfs/dbraw/zinc/64/34/31/825643431.db2.gz XOUZTETUDQSUCO-HXNLIRTISA-N 2 0 264.373 -0.173 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CO[C@]3(CC[NH2+]C3)C2)CN1 ZINC001246155442 825643707 /nfs/dbraw/zinc/64/37/07/825643707.db2.gz YKOZUVPGQLMPJH-KZVDOYCCSA-N 2 0 283.372 -0.609 20 0 CBADRP Fc1cnc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246172504 825644802 /nfs/dbraw/zinc/64/48/02/825644802.db2.gz HNVNXMKTPYBVFE-JTQLQIEISA-N 2 0 251.309 -0.201 20 0 CBADRP Cc1noc(CC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)n1 ZINC001246172274 825644847 /nfs/dbraw/zinc/64/48/47/825644847.db2.gz OFJZSHNBXRAJSD-JTQLQIEISA-N 2 0 251.334 -0.396 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]13)CCN2 ZINC001246183837 825646747 /nfs/dbraw/zinc/64/67/47/825646747.db2.gz URHUMKHIZWAJPR-FVCCEPFGSA-N 3 0 250.390 -0.332 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]13)CCN2 ZINC001246183839 825646901 /nfs/dbraw/zinc/64/69/01/825646901.db2.gz URHUMKHIZWAJPR-MROQNXINSA-N 3 0 250.390 -0.332 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCC2(O)CC[NH2+]CC2)CN1 ZINC001246188928 825647909 /nfs/dbraw/zinc/64/79/09/825647909.db2.gz YDEAEIDGNZZFHW-RYUDHWBXSA-N 2 0 285.388 -0.626 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CC2(F)CC[NH2+]CC2)CN1 ZINC001246189403 825647949 /nfs/dbraw/zinc/64/79/49/825647949.db2.gz XYAWEQRLCVSQBJ-UWVGGRQHSA-N 2 0 259.325 -0.429 20 0 CBADRP O=C([C@@H]1C[C@H](NC[C@H]2CCC[NH2+]C2)C[NH2+]1)N1CCSC1 ZINC001246196558 825649180 /nfs/dbraw/zinc/64/91/80/825649180.db2.gz GWVBJTZJFXVKKQ-AVGNSLFASA-N 2 0 298.456 -0.161 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)CN1 ZINC001246197989 825649242 /nfs/dbraw/zinc/64/92/42/825649242.db2.gz NBCKNYBSHRMWTO-TUAOUCFPSA-N 2 0 255.362 -0.131 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC001246197801 825649361 /nfs/dbraw/zinc/64/93/61/825649361.db2.gz AXKAQRUWPKWJGU-TUAOUCFPSA-N 2 0 255.362 -0.131 20 0 CBADRP C(CN1CCSCC1)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246206017 825649809 /nfs/dbraw/zinc/64/98/09/825649809.db2.gz WHUZELJPPJVNHY-GFCCVEGCSA-N 2 0 270.446 -0.281 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CCNC(=O)N2CCOCC2)CC[NH2+]1 ZINC001246208088 825650211 /nfs/dbraw/zinc/65/02/11/825650211.db2.gz BMLLCICQNMZVAW-VXGBXAGGSA-N 2 0 270.377 -0.242 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)CN1 ZINC001246211239 825650625 /nfs/dbraw/zinc/65/06/25/825650625.db2.gz NEFRUYBDDAIXNI-MNOVXSKESA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)N2CCOCC2)CC[NH2+]1 ZINC001246208085 825650804 /nfs/dbraw/zinc/65/08/04/825650804.db2.gz BMLLCICQNMZVAW-NEPJUHHUSA-N 2 0 270.377 -0.242 20 0 CBADRP OC[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246214852 825651835 /nfs/dbraw/zinc/65/18/35/825651835.db2.gz VLFKUEIPUNRXKE-ZIAGYGMSSA-N 2 0 291.395 -0.021 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+]C1CN(C3CC[NH2+]CC3)C1)CS2 ZINC001246216175 825651850 /nfs/dbraw/zinc/65/18/50/825651850.db2.gz XNLXCYLLSFJSEA-LLVKDONJSA-N 3 0 282.457 -0.140 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]3C[NH2+]C[C@@H]32)CN1 ZINC001246220448 825652896 /nfs/dbraw/zinc/65/28/96/825652896.db2.gz JTHZFZXMBNTHAD-DGORSVRFSA-N 2 0 253.346 -0.523 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[NH2+]C[C@H]2F)CN1 ZINC001246223916 825653239 /nfs/dbraw/zinc/65/32/39/825653239.db2.gz UTLDJQDHLMSJQM-YTWAJWBKSA-N 2 0 259.325 -0.573 20 0 CBADRP CCOC(=O)CC1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)COC1 ZINC001246227294 825653310 /nfs/dbraw/zinc/65/33/10/825653310.db2.gz JSLUQXFWAQYZFE-LLVKDONJSA-N 2 0 283.372 -0.608 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]CC2)CN1 ZINC001246226970 825653418 /nfs/dbraw/zinc/65/34/18/825653418.db2.gz SOGUIAXGRYUKGV-TUAOUCFPSA-N 2 0 255.362 -0.131 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)CN1 ZINC001246231747 825654214 /nfs/dbraw/zinc/65/42/14/825654214.db2.gz FAHOQKNRXOXJAO-OLZOCXBDSA-N 2 0 285.388 -0.816 20 0 CBADRP O=C1OCCN1CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246236945 825654150 /nfs/dbraw/zinc/65/41/50/825654150.db2.gz DULVBWRSZBPQLO-SNVBAGLBSA-N 2 0 254.334 -0.878 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C2CC[NH2+]CC2)CN1 ZINC001246232653 825654382 /nfs/dbraw/zinc/65/43/82/825654382.db2.gz XHIXRLVCUPKHRH-AGIUHOORSA-N 2 0 285.388 -0.770 20 0 CBADRP c1nc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)c2n1CCC[NH2+]C2 ZINC001246245860 825655580 /nfs/dbraw/zinc/65/55/80/825655580.db2.gz AZLIPLJJSCECSX-LBPRGKRZSA-N 3 0 290.415 -0.440 20 0 CBADRP COC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246247122 825655978 /nfs/dbraw/zinc/65/59/78/825655978.db2.gz WOYZUGRNFMNWDO-MNOVXSKESA-N 2 0 253.346 -0.282 20 0 CBADRP O[C@@H](C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1ccccn1 ZINC001246264638 825657445 /nfs/dbraw/zinc/65/74/45/825657445.db2.gz CLZIMPSWLFWNJD-AAEUAGOBSA-N 2 0 262.357 -0.201 20 0 CBADRP O[C@H](C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1cccnc1 ZINC001246264313 825657812 /nfs/dbraw/zinc/65/78/12/825657812.db2.gz GGUMQQNNXUNUAY-QWHCGFSZSA-N 2 0 262.357 -0.201 20 0 CBADRP [NH3+]CCOCCOCCOCCN[C@H]1CCC[NH2+]C1 ZINC001246284206 825659362 /nfs/dbraw/zinc/65/93/62/825659362.db2.gz HDCMLXKPMRKDSA-ZDUSSCGKSA-N 2 0 275.393 -0.664 20 0 CBADRP CNC(=O)[C@@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(C)(C)C ZINC001246294706 825660342 /nfs/dbraw/zinc/66/03/42/825660342.db2.gz HMRSPTXYULSZLT-GHMZBOCLSA-N 2 0 268.405 -0.169 20 0 CBADRP COC(=O)C1(NC2CC[NH2+]CC2)CC[NH+](C)CC1 ZINC001246288448 825660919 /nfs/dbraw/zinc/66/09/19/825660919.db2.gz JGIAQJJIGZJIDV-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]CCOCCOCCOCC[NH2+]C1CC[NH2+]CC1 ZINC001246290180 825661050 /nfs/dbraw/zinc/66/10/50/825661050.db2.gz QDVWAEMZZMUAES-UHFFFAOYSA-N 3 0 275.393 -0.664 20 0 CBADRP [NH3+]CCOCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246286701 825661231 /nfs/dbraw/zinc/66/12/31/825661231.db2.gz ZODIOHYXGMDHMP-FUNVUKJBSA-N 3 0 257.378 -0.149 20 0 CBADRP COC(=O)C1C[C@@H]2CC(N[C@@H]3C[NH2+]C[C@@H]3CO)C[C@H](C1)[NH2+]2 ZINC001246302042 825661868 /nfs/dbraw/zinc/66/18/68/825661868.db2.gz ZYPIBWRJLHQXEP-JLYLPDGGSA-N 2 0 297.399 -0.772 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246298790 825661975 /nfs/dbraw/zinc/66/19/75/825661975.db2.gz FTMJRMXGDWRHLQ-WRWGMCAJSA-N 2 0 255.362 -0.132 20 0 CBADRP OC[C@H]1C[NH2+]C[C@H]1NC1CCC2(CC1)C[NH2+]CCO2 ZINC001246300506 825662600 /nfs/dbraw/zinc/66/26/00/825662600.db2.gz RXSMIKNGWODAQI-NELGMTEASA-N 2 0 269.389 -0.543 20 0 CBADRP O[C@@H]1CCCN(CC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246312916 825663138 /nfs/dbraw/zinc/66/31/38/825663138.db2.gz CTSCHOCLJTXNLA-QWHCGFSZSA-N 2 0 268.405 -0.873 20 0 CBADRP c1nnnn1-c1ccccc1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246316107 825663715 /nfs/dbraw/zinc/66/37/15/825663715.db2.gz FXYVHWQCKGCPKM-CYBMUJFWSA-N 2 0 299.382 -0.154 20 0 CBADRP CN1CCC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1=O ZINC001246307146 825663797 /nfs/dbraw/zinc/66/37/97/825663797.db2.gz BTAPOVXVZMHTRP-QWRGUYRKSA-N 2 0 252.362 -0.709 20 0 CBADRP OCC1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCSCC1 ZINC001246329000 825664244 /nfs/dbraw/zinc/66/42/44/825664244.db2.gz MTJCOTGTZIHMDG-LLVKDONJSA-N 2 0 271.430 -0.072 20 0 CBADRP COC(=O)[C@H](N[C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001246326227 825664264 /nfs/dbraw/zinc/66/42/64/825664264.db2.gz DJJJYBJMESWUIY-VXGBXAGGSA-N 2 0 255.362 -0.131 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246330263 825664594 /nfs/dbraw/zinc/66/45/94/825664594.db2.gz SNFSFAOQDAXKBO-QCNOEVLYSA-N 2 0 255.362 -0.132 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246330788 825665062 /nfs/dbraw/zinc/66/50/62/825665062.db2.gz UWOXSQAOZWVUKK-YFKTTZPYSA-N 2 0 255.362 -0.132 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CCN2CCS(=O)(=O)CC2)CC[NH2+]1 ZINC001246333281 825666045 /nfs/dbraw/zinc/66/60/45/825666045.db2.gz KSZLGWCCNSJQHD-NWDGAFQWSA-N 2 0 275.418 -0.553 20 0 CBADRP CCOC(=O)C1=C(N[C@H]2CSC3(C[NH2+]C3)C2)C[NH2+]C1 ZINC001246346594 825666498 /nfs/dbraw/zinc/66/64/98/825666498.db2.gz BFGUJQBRRLNPPC-SECBINFHSA-N 2 0 283.397 -0.156 20 0 CBADRP C[C@@H]1CC[C@H](NCCN(CC[NH3+])N(O)N=O)C[NH2+]1 ZINC001246349985 825668355 /nfs/dbraw/zinc/66/83/55/825668355.db2.gz ISGMYMWXZVUCQZ-ZJUUUORDSA-N 2 0 260.342 -0.735 20 0 CBADRP CS(=O)(=O)N1CCC([NH2+][C@@H]2CC23C[NH2+]C3)CC1 ZINC001246445168 825673751 /nfs/dbraw/zinc/67/37/51/825673751.db2.gz NEOCVTZIYADQQT-SNVBAGLBSA-N 2 0 259.375 -0.638 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])N[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246400146 825669921 /nfs/dbraw/zinc/66/99/21/825669921.db2.gz DEHMNXCDLLEJJZ-USZNOCQGSA-N 2 0 255.362 -0.146 20 0 CBADRP COCCn1cnc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246384910 825670275 /nfs/dbraw/zinc/67/02/75/825670275.db2.gz MPWBVANULGWBES-GFCCVEGCSA-N 2 0 279.388 -0.287 20 0 CBADRP CC(C)(C)OC(=O)[C@@H](N)CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246393276 825670333 /nfs/dbraw/zinc/67/03/33/825670333.db2.gz XWISAMCMLAYVCV-NEPJUHHUSA-N 2 0 298.431 -0.271 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1CCN(C3CC[NH2+]CC3)C1)CCN2 ZINC001246372463 825670416 /nfs/dbraw/zinc/67/04/16/825670416.db2.gz LZBPVGMXMJYKKM-KBPBESRZSA-N 3 0 293.459 -0.504 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+]C1CCN([C@H]3CC[NH2+]C3)CC1)CCN2 ZINC001246370735 825670704 /nfs/dbraw/zinc/67/07/04/825670704.db2.gz GQIXERGFDMFUBG-CABCVRRESA-N 3 0 293.459 -0.504 20 0 CBADRP c1cc(N2CC([NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)C2)ncn1 ZINC001246405148 825672020 /nfs/dbraw/zinc/67/20/20/825672020.db2.gz JQQNJKANWVZTSX-LLVKDONJSA-N 2 0 274.372 -0.651 20 0 CBADRP c1ncn(CCC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)n1 ZINC001246414573 825672028 /nfs/dbraw/zinc/67/20/28/825672028.db2.gz UGYSOROPASPYOV-LLVKDONJSA-N 2 0 250.350 -0.648 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CNCC(C)(C)O2)CN1 ZINC001246413813 825672033 /nfs/dbraw/zinc/67/20/33/825672033.db2.gz QWRINJBJOSRPOI-TUAOUCFPSA-N 2 0 285.388 -0.363 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246417709 825672501 /nfs/dbraw/zinc/67/25/01/825672501.db2.gz ONGMHVCCZVDVQY-QWRGUYRKSA-N 3 0 270.377 -0.920 20 0 CBADRP CCOC(=O)N1CC[C@@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)C1 ZINC001246416828 825672679 /nfs/dbraw/zinc/67/26/79/825672679.db2.gz MOWYEZWMOYPLNZ-MNOVXSKESA-N 2 0 286.376 -0.210 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001246420737 825672982 /nfs/dbraw/zinc/67/29/82/825672982.db2.gz ZWLWRMZUPMQYJA-WOPDTQHZSA-N 2 0 282.388 -0.288 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCCNCCC[NH3+])CCN1 ZINC001246455046 825674245 /nfs/dbraw/zinc/67/42/45/825674245.db2.gz WBSPAEYFXPEGLK-RYUDHWBXSA-N 2 0 272.393 -0.802 20 0 CBADRP O[C@@H](C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1ccncc1 ZINC001246464183 825674815 /nfs/dbraw/zinc/67/48/15/825674815.db2.gz GESJTRAUEZIZSR-STQMWFEESA-N 2 0 262.357 -0.201 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](NCCC[NH2+]CCCC[NH3+])CN1 ZINC001246457670 825674829 /nfs/dbraw/zinc/67/48/29/825674829.db2.gz PZEQDDVORWNOCT-NEPJUHHUSA-N 2 0 272.393 -0.802 20 0 CBADRP CCCC[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246458219 825674904 /nfs/dbraw/zinc/67/49/04/825674904.db2.gz UAPDWLWTPCUUDZ-QWRGUYRKSA-N 2 0 254.378 -0.286 20 0 CBADRP C[C@]1(CN[C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CCC[NH2+]1 ZINC001246457722 825675377 /nfs/dbraw/zinc/67/53/77/825675377.db2.gz SXGFOXJXLLKKFI-SGMGOOAPSA-N 2 0 298.456 -0.019 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C1CC[NH+](C2COC2)CC1 ZINC001246470833 825676245 /nfs/dbraw/zinc/67/62/45/825676245.db2.gz RRPRDNCIVATVKA-CQSZACIVSA-N 3 0 294.443 -0.219 20 0 CBADRP COC(=O)C1C[C@@H]2CC(NC[C@@H]3C[NH2+]CCN3)C[C@H](C1)[NH2+]2 ZINC001246490998 825676984 /nfs/dbraw/zinc/67/69/84/825676984.db2.gz SAAVMLDJWORQRB-LFGDDXOXSA-N 2 0 296.415 -0.790 20 0 CBADRP C([NH2+]C1CCC2(CC1)C[NH2+]CCO2)[C@H]1CNCCN1 ZINC001246486722 825677044 /nfs/dbraw/zinc/67/70/44/825677044.db2.gz FBCTXMHHVRYHMB-ROKHWSDSSA-N 2 0 268.405 -0.561 20 0 CBADRP FC(F)(F)CN1CC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246500894 825677057 /nfs/dbraw/zinc/67/70/57/825677057.db2.gz ZSRGQWNPBVEBDA-VIFPVBQESA-N 2 0 278.322 -0.084 20 0 CBADRP CC[NH+](CC)CCNC(=[NH2+])N[C@@H]1CN[C@H](C(=O)OC)C1 ZINC001246497173 825677095 /nfs/dbraw/zinc/67/70/95/825677095.db2.gz VXSGFEPCDNNKRJ-QWRGUYRKSA-N 2 0 285.392 -0.654 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H](C(C)C)C2C[NH2+]C2)CN1 ZINC001246513305 825678186 /nfs/dbraw/zinc/67/81/86/825678186.db2.gz CLYRBHIMMUHLHI-SRVKXCTJSA-N 2 0 255.362 -0.277 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246510053 825678478 /nfs/dbraw/zinc/67/84/78/825678478.db2.gz BWEQCJPUFPPJIH-LOWDOPEQSA-N 3 0 268.405 -0.182 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246513609 825678614 /nfs/dbraw/zinc/67/86/14/825678614.db2.gz SWFGUJRMHXVCIL-HNGCFSAESA-N 2 0 266.389 -0.121 20 0 CBADRP [NH3+]CCCC[C@H]([NH2+][C@@H]1CNC(=O)C1)C(=O)N1CCCC1 ZINC001246518610 825679441 /nfs/dbraw/zinc/67/94/41/825679441.db2.gz IHFXVVVYBMRZFV-RYUDHWBXSA-N 2 0 282.388 -0.416 20 0 CBADRP CNC(=O)C1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246524270 825679869 /nfs/dbraw/zinc/67/98/69/825679869.db2.gz HADCYZFPBQYKMQ-GFCCVEGCSA-N 2 0 266.389 -0.462 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246521160 825680263 /nfs/dbraw/zinc/68/02/63/825680263.db2.gz WVFPQIRUSNQFOO-WDEREUQCSA-N 2 0 252.362 -0.722 20 0 CBADRP C[N@H+](CCN1CCOCC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246528329 825681457 /nfs/dbraw/zinc/68/14/57/825681457.db2.gz WTZLODGOERMZNF-ZDUSSCGKSA-N 2 0 268.405 -0.656 20 0 CBADRP Cc1cc(N(C(N)=[NH2+])[C@H]2CCNC3(C[NH2+]C3)C2)n[nH]1 ZINC001246532562 825681951 /nfs/dbraw/zinc/68/19/51/825681951.db2.gz RRMWUIZNOFAFSI-VIFPVBQESA-N 2 0 263.349 -0.488 20 0 CBADRP [NH3+]CC[C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246528591 825681988 /nfs/dbraw/zinc/68/19/88/825681988.db2.gz AJNOMPVVCHAYPY-RYUDHWBXSA-N 3 0 254.378 -0.870 20 0 CBADRP CC(=O)N1CC[C@@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)C1 ZINC001246546078 825682470 /nfs/dbraw/zinc/68/24/70/825682470.db2.gz YCMVKOADZUHVRC-OLZOCXBDSA-N 2 0 255.362 -0.217 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)CCN1 ZINC001246541927 825682482 /nfs/dbraw/zinc/68/24/82/825682482.db2.gz HTDUVPMAFHLNBV-IPYPFGDCSA-N 2 0 299.415 -0.154 20 0 CBADRP CC(=O)N1CC[C@@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)C1 ZINC001246546070 825683186 /nfs/dbraw/zinc/68/31/86/825683186.db2.gz YCMVKOADZUHVRC-CHWSQXEVSA-N 2 0 255.362 -0.217 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)CCN1 ZINC001246544376 825683544 /nfs/dbraw/zinc/68/35/44/825683544.db2.gz RESXEMLZLZOVRB-SGMGOOAPSA-N 2 0 285.388 -0.544 20 0 CBADRP [NH3+]C[C@@]1(O)CCCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246557442 825683977 /nfs/dbraw/zinc/68/39/77/825683977.db2.gz INEBBMLQPDSPFG-JSGCOSHPSA-N 3 0 268.405 -0.744 20 0 CBADRP CCOC(=O)CN1CCC([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246579326 825688833 /nfs/dbraw/zinc/68/88/33/825688833.db2.gz IINSDDATVPFERH-AAEUAGOBSA-N 2 0 285.388 -0.735 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCN3C(=O)CC[C@@H]3C2)C[C@H]1O ZINC001246579330 825689175 /nfs/dbraw/zinc/68/91/75/825689175.db2.gz ILHKFOFJUJUYTE-IRCOFANPSA-N 2 0 253.346 -0.609 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CO1 ZINC001246578848 825689216 /nfs/dbraw/zinc/68/92/16/825689216.db2.gz CXHJAUFOCWLSNP-BJDJZHNGSA-N 2 0 272.345 -0.652 20 0 CBADRP COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246578117 825689292 /nfs/dbraw/zinc/68/92/92/825689292.db2.gz FXGPQPKVVPCEOM-WRWGMCAJSA-N 2 0 256.346 -0.030 20 0 CBADRP COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246579614 825689359 /nfs/dbraw/zinc/68/93/59/825689359.db2.gz FXGPQPKVVPCEOM-KXNHARMFSA-N 2 0 256.346 -0.030 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+](C2CCC3(CC2)OCCO3)C[C@@H]1O ZINC001246578095 825689373 /nfs/dbraw/zinc/68/93/73/825689373.db2.gz FVXPPBXWSCDZEA-JQWIXIFHSA-N 2 0 256.346 -0.077 20 0 CBADRP COC(=O)[C@H]1CCC[C@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246578111 825689414 /nfs/dbraw/zinc/68/94/14/825689414.db2.gz FXGPQPKVVPCEOM-FIQHERPVSA-N 2 0 256.346 -0.030 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CO1 ZINC001246578856 825689421 /nfs/dbraw/zinc/68/94/21/825689421.db2.gz CXHJAUFOCWLSNP-USZNOCQGSA-N 2 0 272.345 -0.652 20 0 CBADRP O[C@@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1F ZINC001246575900 825689493 /nfs/dbraw/zinc/68/94/93/825689493.db2.gz LOTIRDCEFSEJBV-GRYCIOLGSA-N 2 0 257.353 -0.125 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCN(C3CC3)C(=O)C2)C[C@H]1O ZINC001246578009 825689545 /nfs/dbraw/zinc/68/95/45/825689545.db2.gz DJGUMKBAACKLMI-ZMLRMANQSA-N 2 0 253.346 -0.609 20 0 CBADRP CCOC(=O)N1CCC([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246578697 825689575 /nfs/dbraw/zinc/68/95/75/825689575.db2.gz HNDNMDKFXKBSBW-JQWIXIFHSA-N 2 0 271.361 -0.141 20 0 CBADRP C[NH+](C)C[C@H]1CN([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246584518 825691100 /nfs/dbraw/zinc/69/11/00/825691100.db2.gz AUYFVXQMEHXXAY-STQMWFEESA-N 2 0 268.405 -0.657 20 0 CBADRP CCOC(=O)N1CCC([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246582536 825691402 /nfs/dbraw/zinc/69/14/02/825691402.db2.gz HNDNMDKFXKBSBW-CMPLNLGQSA-N 2 0 271.361 -0.141 20 0 CBADRP CCOC(=O)C1=C(O)CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246590793 825691817 /nfs/dbraw/zinc/69/18/17/825691817.db2.gz AGMRMPVFEJKYDV-NEPJUHHUSA-N 2 0 295.383 -0.466 20 0 CBADRP Cc1nc(CN(C)[C@H]2CCNC3(C[NH2+]C3)C2)no1 ZINC001246603272 825693554 /nfs/dbraw/zinc/69/35/54/825693554.db2.gz YPGGXWGQFNXPAN-JTQLQIEISA-N 2 0 251.334 -0.096 20 0 CBADRP C1C[C@@]2(CCC[NH2+]C2)N1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246599431 825693786 /nfs/dbraw/zinc/69/37/86/825693786.db2.gz CQPJYYDACLGGIC-TZMCWYRMSA-N 3 0 250.390 -0.092 20 0 CBADRP COC(=O)[C@@H]1C[C@H](N2CCC3(CC2)C[NH2+]CCO3)CN1 ZINC001246603234 825693852 /nfs/dbraw/zinc/69/38/52/825693852.db2.gz NGDZOTFXOZTKSJ-RYUDHWBXSA-N 2 0 283.372 -0.656 20 0 CBADRP CC(C)(C)[N@H+](C[C@@H](O)CO)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246606009 825694023 /nfs/dbraw/zinc/69/40/23/825694023.db2.gz SKBYKXNSECBWEE-VXGBXAGGSA-N 2 0 271.405 -0.466 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCNC3(CC[NH2+]CC3)C1)CS2 ZINC001246600394 825694075 /nfs/dbraw/zinc/69/40/75/825694075.db2.gz GGAIJXQDZKKZDQ-LBPRGKRZSA-N 3 0 282.457 -0.139 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)CCN1 ZINC001246600336 825694204 /nfs/dbraw/zinc/69/42/04/825694204.db2.gz GCSHMTXYVPFNAW-STQMWFEESA-N 2 0 296.415 -0.693 20 0 CBADRP C1C[NH2+]C[C@H](N2CCOC[C@]3(C[NH2+]CCO3)C2)C1 ZINC001246603045 825694434 /nfs/dbraw/zinc/69/44/34/825694434.db2.gz LYMGSETVTBUSTE-OLZOCXBDSA-N 2 0 255.362 -0.571 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCO[C@@]3(CCOC3)C1)CCN2 ZINC001246612616 825695632 /nfs/dbraw/zinc/69/56/32/825695632.db2.gz BFIPDTZMBPSCSJ-JSGCOSHPSA-N 2 0 267.373 -0.428 20 0 CBADRP C1CC(N2CCO[C@]3(C2)C[NH2+]CCOC3)CC[NH2+]1 ZINC001246624863 825696517 /nfs/dbraw/zinc/69/65/17/825696517.db2.gz CVHXXLBDSFZPKT-ZDUSSCGKSA-N 2 0 255.362 -0.571 20 0 CBADRP C[C@H]1CC[C@@H](N2CC(=O)NC3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246623148 825696564 /nfs/dbraw/zinc/69/65/64/825696564.db2.gz BFTPEPIMAYEOGR-NWDGAFQWSA-N 2 0 266.389 -0.319 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246620495 825696717 /nfs/dbraw/zinc/69/67/17/825696717.db2.gz JVVDFIOFNRCNIX-AYLPWXGPSA-N 2 0 253.346 -0.284 20 0 CBADRP C1C[C@@]2(C[NH2+]1)CNCCN2C1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001246624398 825696923 /nfs/dbraw/zinc/69/69/23/825696923.db2.gz MZFHZKMQFZJRHK-QNMSZWNNSA-N 2 0 266.389 -0.857 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CN1 ZINC001246623563 825697259 /nfs/dbraw/zinc/69/72/59/825697259.db2.gz AKGZSALFGSGWLA-RNJOBUHISA-N 2 0 267.373 -0.179 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@]3(CC[NH2+]C3)C1)CCN2 ZINC001246629692 825697731 /nfs/dbraw/zinc/69/77/31/825697731.db2.gz HHPOZHQIEWBHLZ-STQMWFEESA-N 3 0 250.390 -0.234 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCO[C@@H]3C[NH2+]C[C@@H]3C1)CCN2 ZINC001246628472 825698106 /nfs/dbraw/zinc/69/81/06/825698106.db2.gz ZPENWZVUUCKPQS-JHJVBQTASA-N 3 0 266.389 -0.999 20 0 CBADRP C1C[C@@]2(C[NH2+]1)CNCCN2[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246625860 825698136 /nfs/dbraw/zinc/69/81/36/825698136.db2.gz QFELOTOAVPKQLW-XJFOESAGSA-N 2 0 250.390 -0.093 20 0 CBADRP C[C@@H]1C[C@H](N2CC(=O)NC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246626583 825698361 /nfs/dbraw/zinc/69/83/61/825698361.db2.gz JUWJVZFNOXYCMV-VXGBXAGGSA-N 2 0 266.389 -0.319 20 0 CBADRP C[C@@H]1C[C@@H](N2CCO[C@]3(C2)C[NH2+]CCOC3)CC[NH2+]1 ZINC001246626515 825698430 /nfs/dbraw/zinc/69/84/30/825698430.db2.gz GPXQDSGRKXTLSX-RDBSUJKOSA-N 2 0 269.389 -0.182 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCC3(C2)CC[NH2+]CC3)CN1 ZINC001246636128 825699493 /nfs/dbraw/zinc/69/94/93/825699493.db2.gz CRRIUCSPQUOBEG-RYUDHWBXSA-N 2 0 267.373 -0.035 20 0 CBADRP C1C[C@@]2(C[NH2+]1)C[N@@H+]([C@H]1C[C@H]3C[NH2+]C[C@H]3C1)CCN2 ZINC001246641205 825701108 /nfs/dbraw/zinc/70/11/08/825701108.db2.gz HWQCZUWBNUXQAC-XJFOESAGSA-N 3 0 250.390 -0.378 20 0 CBADRP CCN1CC[C@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1=O ZINC001246642034 825701335 /nfs/dbraw/zinc/70/13/35/825701335.db2.gz LCVOYXUAKVNUCP-JSGCOSHPSA-N 2 0 266.389 -0.365 20 0 CBADRP O=C1C[C@@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CCN1C1CC1 ZINC001246643753 825701396 /nfs/dbraw/zinc/70/13/96/825701396.db2.gz PWZUYFDHHJSMMB-ZFWWWQNUSA-N 2 0 278.400 -0.223 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CCO[C@@H]3CC[NH2+]C[C@@H]31)CCN2 ZINC001246646818 825702282 /nfs/dbraw/zinc/70/22/82/825702282.db2.gz OLLNVYLPSHHXSF-RWMBFGLXSA-N 2 0 266.389 -0.857 20 0 CBADRP C1C[NH2+]C[C@@H](N2CCCO[C@@]3(C[NH2+]CCOC3)C2)C1 ZINC001246648430 825702346 /nfs/dbraw/zinc/70/23/46/825702346.db2.gz PUZWTZQCWIWERL-KBPBESRZSA-N 2 0 269.389 -0.181 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCC[C@]3(CNCCO3)C1)CCN2 ZINC001246645118 825702688 /nfs/dbraw/zinc/70/26/88/825702688.db2.gz BCJBQUJMCVRFJS-ZFWWWQNUSA-N 2 0 280.416 -0.465 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CCC[C@@]13CC[NH2+]C3)CCN2 ZINC001246651694 825702922 /nfs/dbraw/zinc/70/29/22/825702922.db2.gz YJVJGIMBZYJZLT-OCCSQVGLSA-N 3 0 250.390 -0.092 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])CN1 ZINC001246658567 825703418 /nfs/dbraw/zinc/70/34/18/825703418.db2.gz KZSSXSAOIDUTRH-HTFCKZLJSA-N 2 0 253.346 -0.299 20 0 CBADRP [NH3+][C@@]12CCC[C@@H]1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246660632 825703531 /nfs/dbraw/zinc/70/35/31/825703531.db2.gz FBFGCMQOGUKGDS-MBNYWOFBSA-N 3 0 250.390 -0.106 20 0 CBADRP [NH3+][C@@]12C[C@@H]1CCN([C@H]1C[NH2+][C@H](C(=O)N3CCSC3)C1)C2 ZINC001246661236 825703959 /nfs/dbraw/zinc/70/39/59/825703959.db2.gz UTTOOQSRGCYNLW-KZVDOYCCSA-N 2 0 296.440 -0.327 20 0 CBADRP O=C1COCC2(CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)N1 ZINC001246667565 825704920 /nfs/dbraw/zinc/70/49/20/825704920.db2.gz LENOTJRUTGUQHI-GFCCVEGCSA-N 2 0 294.399 -0.939 20 0 CBADRP O=C1NCC[C@@]12CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246668832 825705589 /nfs/dbraw/zinc/70/55/89/825705589.db2.gz OPPYHGQGKGOOFB-YPMHNXCESA-N 2 0 264.373 -0.708 20 0 CBADRP CN([C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@H]1CCC[NH2+]C1 ZINC001246678329 825705976 /nfs/dbraw/zinc/70/59/76/825705976.db2.gz LUEDCGWLYZSSRE-AVGNSLFASA-N 2 0 298.456 -0.066 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)CN1 ZINC001246682386 825706203 /nfs/dbraw/zinc/70/62/03/825706203.db2.gz CEOOVTFMROIYCJ-DKBOKBLXSA-N 2 0 295.383 -0.657 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)CN1 ZINC001246680249 825706361 /nfs/dbraw/zinc/70/63/61/825706361.db2.gz SQLGFHXCZYPIIZ-JLLWLGSASA-N 2 0 253.346 -0.569 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)CN1 ZINC001246682390 825706640 /nfs/dbraw/zinc/70/66/40/825706640.db2.gz CEOOVTFMROIYCJ-IHWVXMPCSA-N 2 0 295.383 -0.657 20 0 CBADRP CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246759627 825709086 /nfs/dbraw/zinc/70/90/86/825709086.db2.gz SJMBBGWLVAXEET-IGQOVBAYSA-N 2 0 292.427 -0.217 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CC[N@@H+]3CCC[C@H]3C1)CCN2 ZINC001246776659 825709912 /nfs/dbraw/zinc/70/99/12/825709912.db2.gz LMHTUGAGZHJXIF-STQMWFEESA-N 2 0 250.390 -0.140 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](N(CC[NH+](C)C)CC[NH+](C)C)CN1 ZINC001246783171 825710195 /nfs/dbraw/zinc/71/01/95/825710195.db2.gz NUABCYATIZDBEM-OLZOCXBDSA-N 2 0 286.420 -0.685 20 0 CBADRP COCC(=O)NC1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246788792 825710350 /nfs/dbraw/zinc/71/03/50/825710350.db2.gz PYOLTWIVDWRXQX-CYBMUJFWSA-N 2 0 296.415 -0.693 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CC[N@@H+]3CCC[C@@H]3C1)CCN2 ZINC001246776654 825710736 /nfs/dbraw/zinc/71/07/36/825710736.db2.gz LMHTUGAGZHJXIF-QWHCGFSZSA-N 2 0 250.390 -0.140 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](C[NH3+])C2)CN1 ZINC001246779693 825710804 /nfs/dbraw/zinc/71/08/04/825710804.db2.gz IOJSCPRYMSYADB-TUAOUCFPSA-N 2 0 255.362 -0.049 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH+]1CCN(C3CC[NH2+]CC3)CC1)CCN2 ZINC001246785402 825710839 /nfs/dbraw/zinc/71/08/39/825710839.db2.gz AOCMPECCXLEDQK-OAHLLOKOSA-N 3 0 293.459 -0.550 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@@H](N3CCOCC3)C1)CCN2 ZINC001246795832 825711571 /nfs/dbraw/zinc/71/15/71/825711571.db2.gz KKEJWKWFVZASBK-UONOGXRCSA-N 2 0 280.416 -0.513 20 0 CBADRP CN1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCC1=O ZINC001246794140 825711667 /nfs/dbraw/zinc/71/16/67/825711667.db2.gz GDQILFNJGNDTIG-NSHDSACASA-N 2 0 252.362 -0.756 20 0 CBADRP c1ncc2c(n1)CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246797282 825711745 /nfs/dbraw/zinc/71/17/45/825711745.db2.gz NQGAGHDKDBNDHG-LBPRGKRZSA-N 2 0 259.357 -0.071 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN([C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246797145 825712227 /nfs/dbraw/zinc/71/22/27/825712227.db2.gz MGCYZQLHTNFAAN-WISYIIOYSA-N 2 0 255.362 -0.051 20 0 CBADRP CC[C@@H]1C[NH2+]CCN1[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246796383 825712242 /nfs/dbraw/zinc/71/22/42/825712242.db2.gz AHESQZNLCORYRL-UPJWGTAASA-N 2 0 298.456 -0.066 20 0 CBADRP CCOC(=O)C1C[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246799900 825712975 /nfs/dbraw/zinc/71/29/75/825712975.db2.gz UXIUNLRWLHKKQT-LLVKDONJSA-N 2 0 253.346 -0.425 20 0 CBADRP O=c1[nH]c(=O)c2c([nH]1)CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246818443 825715086 /nfs/dbraw/zinc/71/50/86/825715086.db2.gz CYBPGFANGFEMDX-SECBINFHSA-N 2 0 291.355 -0.660 20 0 CBADRP CCOC(=O)[C@@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246817317 825715228 /nfs/dbraw/zinc/71/52/28/825715228.db2.gz RDFLQHQBVCYUAW-VXGBXAGGSA-N 2 0 267.373 -0.035 20 0 CBADRP CCOC(=O)[C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246814167 825715262 /nfs/dbraw/zinc/71/52/62/825715262.db2.gz ODHDAIDJBXHFBR-NWDGAFQWSA-N 2 0 283.372 -0.656 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246818836 825715832 /nfs/dbraw/zinc/71/58/32/825715832.db2.gz DXRJKXIXUXXDRT-ZIAGYGMSSA-N 2 0 298.431 -0.588 20 0 CBADRP CN(C1C[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1)[C@@H]1CCOC1 ZINC001246820806 825716545 /nfs/dbraw/zinc/71/65/45/825716545.db2.gz QITMQBFVSDUILR-CHWSQXEVSA-N 2 0 280.416 -0.515 20 0 CBADRP CC1(C)C[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)CC[NH2+]1 ZINC001246819659 825716652 /nfs/dbraw/zinc/71/66/52/825716652.db2.gz HGWDNUHUXQXXCG-AWEZNQCLSA-N 3 0 283.464 -0.399 20 0 CBADRP C[NH+](C)C1CCC([NH+]2CCNCC[NH2+]CCNCC2)CC1 ZINC001246819051 825716761 /nfs/dbraw/zinc/71/67/61/825716761.db2.gz FNWSUXXKBSTHDY-UHFFFAOYSA-N 3 0 297.491 -0.056 20 0 CBADRP CC(=O)N1CCC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246824428 825717191 /nfs/dbraw/zinc/71/71/91/825717191.db2.gz XIIHZUSCDBUUIW-OAHLLOKOSA-N 2 0 297.447 -0.918 20 0 CBADRP O[C@@H]1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1(F)F ZINC001246826012 825717611 /nfs/dbraw/zinc/71/76/11/825717611.db2.gz ZQRHJJBGCXVKSH-NXEZZACHSA-N 2 0 261.316 -0.218 20 0 CBADRP C1[NH2+]C[C@H]2C[C@H]([NH+]3CCNCC[NH2+]CCNCC3)C[C@@H]12 ZINC001246824532 825718130 /nfs/dbraw/zinc/71/81/30/825718130.db2.gz YQVOZGTYUDSVNO-FICVDOATSA-N 3 0 281.448 -0.931 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246832062 825718431 /nfs/dbraw/zinc/71/84/31/825718431.db2.gz AIHHMOZTQNMRMB-ARHMULMVSA-N 2 0 253.346 -0.156 20 0 CBADRP CC(C)(C)OC(=O)[C@@H]1C[C@H](N(CC[NH3+])CC[NH3+])CN1 ZINC001246833138 825718603 /nfs/dbraw/zinc/71/86/03/825718603.db2.gz RVCFXSQXBNDHDV-QWRGUYRKSA-N 2 0 272.393 -0.722 20 0 CBADRP CC[N@H+](CCN1CCOCC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246848271 825719982 /nfs/dbraw/zinc/71/99/82/825719982.db2.gz NNRNBOVCXHJBHM-CQSZACIVSA-N 2 0 282.432 -0.266 20 0 CBADRP O=C1OCCN1C1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246840518 825720219 /nfs/dbraw/zinc/72/02/19/825720219.db2.gz HDYXRIHYCGLWOB-CYBMUJFWSA-N 2 0 294.399 -0.003 20 0 CBADRP CC1(C)CN(C2C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)CCO1 ZINC001246844973 825720528 /nfs/dbraw/zinc/72/05/28/825720528.db2.gz JVONSRBQNFBIKH-CYBMUJFWSA-N 2 0 294.443 -0.125 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)CN1 ZINC001246849101 825720570 /nfs/dbraw/zinc/72/05/70/825720570.db2.gz YAXVGWUJLZPNTB-CYDGBPFRSA-N 2 0 267.373 -0.179 20 0 CBADRP CN1CC[C@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246840777 825720753 /nfs/dbraw/zinc/72/07/53/825720753.db2.gz KMGVVVWVKSCKQS-RWMBFGLXSA-N 2 0 250.390 -0.284 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([N@H+](C)CCN2CC[NH+](C)CC2)CN1 ZINC001246847719 825721364 /nfs/dbraw/zinc/72/13/64/825721364.db2.gz LXCJAAFETQAAFK-KGLIPLIRSA-N 2 0 298.431 -0.541 20 0 CBADRP CC[C@H]1C[C@@H](N2CC[NH2+]C[C@H]2C(=O)OC)CC[NH2+]1 ZINC001246856616 825722014 /nfs/dbraw/zinc/72/20/14/825722014.db2.gz DSHZUVAGDNRNCY-SRVKXCTJSA-N 2 0 255.362 -0.036 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CCN1 ZINC001246858334 825722041 /nfs/dbraw/zinc/72/20/41/825722041.db2.gz FFGJXCLRZCUIPB-UCEQBCCISA-N 2 0 283.372 -0.815 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1C1CCC2(C[NH2+]C2)CC1 ZINC001246856453 825722495 /nfs/dbraw/zinc/72/24/95/825722495.db2.gz BJKBLHUBIWOQOK-LBPRGKRZSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[C@@H]1C[C@H](N2CC[NH2+]C[C@H]2C(=O)OC)CC[NH2+]1 ZINC001246856618 825722555 /nfs/dbraw/zinc/72/25/55/825722555.db2.gz DSHZUVAGDNRNCY-UTUOFQBUSA-N 2 0 255.362 -0.036 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246856513 825722786 /nfs/dbraw/zinc/72/27/86/825722786.db2.gz BPAPQXAHRSYTNR-MNOVXSKESA-N 2 0 253.346 -0.425 20 0 CBADRP c1cn2c(n1)CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246863323 825723854 /nfs/dbraw/zinc/72/38/54/825723854.db2.gz WOEYUCIGGLLBBI-LBPRGKRZSA-N 2 0 261.373 -0.165 20 0 CBADRP CCOC(=O)C1(N)CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246867379 825725737 /nfs/dbraw/zinc/72/57/37/825725737.db2.gz IMZFPCWZFDLIMH-GFCCVEGCSA-N 2 0 296.415 -0.563 20 0 CBADRP [NH3+]C1CN([C@H]2CCC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246871648 825726765 /nfs/dbraw/zinc/72/67/65/825726765.db2.gz NNLMJYIIRMGKLO-KBPBESRZSA-N 3 0 279.432 -0.812 20 0 CBADRP CC(=O)N1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1C ZINC001246887181 825727804 /nfs/dbraw/zinc/72/78/04/825727804.db2.gz JQYXWCFVVGUOAE-YPMHNXCESA-N 2 0 266.389 -0.367 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246893844 825728298 /nfs/dbraw/zinc/72/82/98/825728298.db2.gz MTKRXOIRLJRWHC-MGPQQGTHSA-N 3 0 264.417 -0.036 20 0 CBADRP Cn1ncc2c1CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246890013 825728574 /nfs/dbraw/zinc/72/85/74/825728574.db2.gz HTLLGEAXUDKIBV-LBPRGKRZSA-N 2 0 261.373 -0.128 20 0 CBADRP C[C@H]1CN(C)C(=O)C[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246891929 825728643 /nfs/dbraw/zinc/72/86/43/825728643.db2.gz OFXUTZPBRPNOAR-WDEREUQCSA-N 2 0 252.362 -0.757 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246893839 825728681 /nfs/dbraw/zinc/72/86/81/825728681.db2.gz MTKRXOIRLJRWHC-HZSPNIEDSA-N 3 0 264.417 -0.036 20 0 CBADRP Cn1ncc2c1CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246890010 825728910 /nfs/dbraw/zinc/72/89/10/825728910.db2.gz HTLLGEAXUDKIBV-GFCCVEGCSA-N 2 0 261.373 -0.128 20 0 CBADRP COC(=O)[C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCCO1 ZINC001246912085 825730013 /nfs/dbraw/zinc/73/00/13/825730013.db2.gz QGDDKBWBSXKCHC-VXGBXAGGSA-N 2 0 283.372 -0.656 20 0 CBADRP COC(=O)[C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCCO1 ZINC001246912080 825730242 /nfs/dbraw/zinc/73/02/42/825730242.db2.gz QGDDKBWBSXKCHC-NWDGAFQWSA-N 2 0 283.372 -0.656 20 0 CBADRP C[C@@H]1C[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CC[NH2+]1 ZINC001246919652 825731051 /nfs/dbraw/zinc/73/10/51/825731051.db2.gz JOPXXAMUGDJGGK-OLZOCXBDSA-N 3 0 285.436 -0.757 20 0 CBADRP CC1(C)C[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CC[NH2+]1 ZINC001246924181 825731351 /nfs/dbraw/zinc/73/13/51/825731351.db2.gz GSTAYQCCUAIKHG-ZDUSSCGKSA-N 3 0 299.463 -0.367 20 0 CBADRP [NH3+]C[C@H]1CCCN1[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246918132 825731883 /nfs/dbraw/zinc/73/18/83/825731883.db2.gz WMUWPAYZOJMIBA-UTUOFQBUSA-N 2 0 284.429 -0.327 20 0 CBADRP COC(=O)C1C[C@@H]2CC(N3C[C@@H]4C[NH2+]C[C@H]43)C[C@H](C1)[NH2+]2 ZINC001246922357 825731932 /nfs/dbraw/zinc/73/19/32/825731932.db2.gz VWRSTBCXNITDEF-OOJLBHAVSA-N 2 0 279.384 -0.038 20 0 CBADRP CC[C@@H]1C[C@H](N2C[C@H]([NH3+])[C@@H](C(=O)OC)C2)CC[NH2+]1 ZINC001246929081 825732371 /nfs/dbraw/zinc/73/23/71/825732371.db2.gz CGQDYRCDDJJFGX-WYUUTHIRSA-N 2 0 255.362 -0.051 20 0 CBADRP COC(=O)[C@H](N)[C@@H]1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246928432 825732418 /nfs/dbraw/zinc/73/24/18/825732418.db2.gz ZMFLZWWFOSUJGY-JHJVBQTASA-N 2 0 296.415 -0.707 20 0 CBADRP COC(=O)[C@@H]1CN([C@H]2CSC3(C[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001246930120 825732459 /nfs/dbraw/zinc/73/24/59/825732459.db2.gz JPOAQLYPDRJQSD-OPRDCNLKSA-N 2 0 271.386 -0.734 20 0 CBADRP CC[N@H+](CCC(=O)OC)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246926130 825732490 /nfs/dbraw/zinc/73/24/90/825732490.db2.gz RLHARBNFVBVVPJ-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[C@@H]1C[C@H](N2C[C@@H](C(=O)OC)[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246929078 825732956 /nfs/dbraw/zinc/73/29/56/825732956.db2.gz CGQDYRCDDJJFGX-DDHJBXDOSA-N 2 0 255.362 -0.051 20 0 CBADRP COCCN([C@@H]1CCC[NH2+]C1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246926739 825733117 /nfs/dbraw/zinc/73/31/17/825733117.db2.gz DYUCSFJDSMXXPS-ZIAGYGMSSA-N 2 0 282.432 -0.219 20 0 CBADRP C[NH2+]C1CCC([N@@H+]2C[C@H](N)[C@H](C(=O)OC)C2)CC1 ZINC001246935879 825734396 /nfs/dbraw/zinc/73/43/96/825734396.db2.gz ZHMQFUIRSRPODF-HCWSGVFWSA-N 2 0 255.362 -0.051 20 0 CBADRP COC(=O)[C@@H]1CN([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)C[C@@H]1[NH3+] ZINC001246932523 825734475 /nfs/dbraw/zinc/73/44/75/825734475.db2.gz PWTIIMOGHLAZQC-ROHXPCBUSA-N 2 0 255.362 -0.053 20 0 CBADRP COC(=O)[C@@H]1C[N@@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H]1N ZINC001246931345 825734671 /nfs/dbraw/zinc/73/46/71/825734671.db2.gz NVEAAGAXAUVHRS-YBXAARCKSA-N 2 0 253.346 -0.584 20 0 CBADRP C[NH+](C)CC(=O)N[C@@H]1CCCN([C@H]2CCC[NH2+]C2)C1 ZINC001246954992 825735787 /nfs/dbraw/zinc/73/57/87/825735787.db2.gz OUJHQEVXTXQSIG-OLZOCXBDSA-N 2 0 268.405 -0.119 20 0 CBADRP COC(=O)[C@H]1CN([C@@H]2CC[NH2+][C@H](C)C2)CC[C@@H]1[NH3+] ZINC001246947193 825736412 /nfs/dbraw/zinc/73/64/12/825736412.db2.gz JJVSZMAPQIWQTO-WYUUTHIRSA-N 2 0 255.362 -0.051 20 0 CBADRP CC(C)(O)CCN1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246942882 825736417 /nfs/dbraw/zinc/73/64/17/825736417.db2.gz RHBNGRLIYQVVNO-CQSZACIVSA-N 2 0 296.459 -0.141 20 0 CBADRP C1CC1N([C@@H]1CC[NH2+]C1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246966613 825737059 /nfs/dbraw/zinc/73/70/59/825737059.db2.gz LBIJJKDRRLJKPG-CHWSQXEVSA-N 2 0 250.390 -0.093 20 0 CBADRP [NH3+][C@H]1CCN(C2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246964302 825738145 /nfs/dbraw/zinc/73/81/45/825738145.db2.gz CFHOCROKCOBPTJ-ZFWWWQNUSA-N 3 0 293.459 -0.422 20 0 CBADRP C[C@@H]1CN(C2C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C[C@@H](C)O1 ZINC001246986004 825738621 /nfs/dbraw/zinc/73/86/21/825738621.db2.gz DNTHAUJZNMWDSN-MGPQQGTHSA-N 2 0 294.443 -0.126 20 0 CBADRP C[NH+](C)CCN(C1CC[NH2+]CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246990443 825738954 /nfs/dbraw/zinc/73/89/54/825738954.db2.gz VQRNSYMEAWJNKK-HNNXBMFYSA-N 3 0 295.475 -0.304 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](N(CC[NH+](C)C)C2CC[NH2+]CC2)CN1 ZINC001246984519 825739196 /nfs/dbraw/zinc/73/91/96/825739196.db2.gz IRTQHHIFEUYPDR-KGLIPLIRSA-N 2 0 298.431 -0.495 20 0 CBADRP FC(F)(F)[C@@H]1C[NH2+]CCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246985729 825739842 /nfs/dbraw/zinc/73/98/42/825739842.db2.gz BVESJHVBAGNXOC-UWVGGRQHSA-N 2 0 278.322 -0.084 20 0 CBADRP COC(=O)[C@@H]1C[C@H](N(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)CN1 ZINC001246985859 825739877 /nfs/dbraw/zinc/73/98/77/825739877.db2.gz LEODHSUPEVRXJT-IHRRRGAJSA-N 2 0 298.431 -0.495 20 0 CBADRP COc1cnc(-c2noc(C[C@@H](N)C[NH3+])n2)c(OC)c1 ZINC001249128553 825748197 /nfs/dbraw/zinc/74/81/97/825748197.db2.gz LSFDSXRQNKTXCY-SSDOTTSWSA-N 2 0 279.300 -0.023 20 0 CBADRP COC(=O)[C@H]1CN(C)CCN1C(=S)NCC[NH+](C)C ZINC001249837055 825749890 /nfs/dbraw/zinc/74/98/90/825749890.db2.gz PLDSIFFWOPGJGU-SNVBAGLBSA-N 2 0 288.417 -0.789 20 0 CBADRP CC(C)CN1CC[C@H]([NH2+]C[C@@H](O)CN2CCOCC2)C1 ZINC001251045368 825771246 /nfs/dbraw/zinc/77/12/46/825771246.db2.gz HHIOELHYZTZUAN-LSDHHAIUSA-N 2 0 285.432 -0.001 20 0 CBADRP COC(=O)[C@H](O)C[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001252440441 825859878 /nfs/dbraw/zinc/85/98/78/825859878.db2.gz ORCSDLGLJSFGEP-GFCCVEGCSA-N 2 0 273.377 -0.864 20 0 CBADRP COC(=O)[C@@H](O)C[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001252442815 825860530 /nfs/dbraw/zinc/86/05/30/825860530.db2.gz JPVSJUZAAWTYSV-AVGNSLFASA-N 2 0 286.372 -0.247 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CNCCN1CC[NH+](C)CC1 ZINC001253201868 825903777 /nfs/dbraw/zinc/90/37/77/825903777.db2.gz AJLHSQFWJKHFPJ-AWEZNQCLSA-N 2 0 272.437 -0.474 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](CO)[C@@H]1CCOC1 ZINC001253211965 825906435 /nfs/dbraw/zinc/90/64/35/825906435.db2.gz FYACFMHZWSEEQD-UPJWGTAASA-N 2 0 260.378 -0.324 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@@H]1CCCC(=O)N1 ZINC001253216212 825907243 /nfs/dbraw/zinc/90/72/43/825907243.db2.gz KRXQNIDZFIIILI-NWDGAFQWSA-N 2 0 257.378 -0.053 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1CC2(C1)CS(=O)(=O)C2 ZINC001253405024 825913600 /nfs/dbraw/zinc/91/36/00/825913600.db2.gz NMWRSVSHTZVTCJ-NSHDSACASA-N 2 0 290.429 -0.098 20 0 CBADRP CN1C[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)CCC1=O ZINC001253403281 825914048 /nfs/dbraw/zinc/91/40/48/825914048.db2.gz CFRPTVSLJTYKRA-QWRGUYRKSA-N 2 0 257.378 -0.054 20 0 CBADRP CN1C[C@H](C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)CC1=O ZINC001253405240 825914082 /nfs/dbraw/zinc/91/40/82/825914082.db2.gz SMDGAZSAYNWKBC-QWRGUYRKSA-N 2 0 257.378 -0.197 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H]1CCCC(=O)NC1 ZINC001253406866 825914174 /nfs/dbraw/zinc/91/41/74/825914174.db2.gz XIBRXBXKLARNQA-QWRGUYRKSA-N 2 0 257.378 -0.006 20 0 CBADRP OCC(CO)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254047770 825938862 /nfs/dbraw/zinc/93/88/62/825938862.db2.gz VXVMVWPOOMWIBB-UHFFFAOYSA-N 2 0 294.395 -0.044 20 0 CBADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H](O)C[NH3+])CC1=O ZINC001254226374 825946790 /nfs/dbraw/zinc/94/67/90/825946790.db2.gz BLPCTNQFYQWEDB-UWVGGRQHSA-N 2 0 287.360 -0.178 20 0 CBADRP CC[NH+](CC)CCN(CC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC001254319130 825950420 /nfs/dbraw/zinc/95/04/20/825950420.db2.gz SMLBLTAHXGOIDN-LBPRGKRZSA-N 2 0 277.434 -0.224 20 0 CBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@H]2CCS(=O)(=O)C2)O1 ZINC001254320240 825950699 /nfs/dbraw/zinc/95/06/99/825950699.db2.gz NVVFGRLCOWKWBI-QCNOEVLYSA-N 2 0 292.401 -0.512 20 0 CBADRP CC(=O)N1CCC(NC(=[NH2+])NCCCC[NH3+])CC1 ZINC001254416295 825960323 /nfs/dbraw/zinc/96/03/23/825960323.db2.gz XWBHWPTVTXUQHJ-UHFFFAOYSA-N 2 0 255.366 -0.150 20 0 CBADRP CS(=O)(=O)N(C1C[NH2+]C1)[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254859875 825970926 /nfs/dbraw/zinc/97/09/26/825970926.db2.gz IFCUPKZYMASDKT-LLVKDONJSA-N 2 0 273.402 -0.296 20 0 CBADRP COC(=O)C1(N[C@H]2CC[N@H+](C)C2)CC[NH+](C)CC1 ZINC001255424208 825980656 /nfs/dbraw/zinc/98/06/56/825980656.db2.gz SGDQMTYAUMNAHO-NSHDSACASA-N 2 0 255.362 -0.083 20 0 CBADRP C[N@@H+]1CCC[C@H](NCCC[NH+](CCO)CCO)C1 ZINC001255468425 825984719 /nfs/dbraw/zinc/98/47/19/825984719.db2.gz TZBMOGNAPGGHKF-ZDUSSCGKSA-N 2 0 259.394 -0.653 20 0 CBADRP C[N@@H+]1CCC[C@@H](n2cnc(C[C@H]([NH3+])C(N)=O)c2)C1 ZINC001255479675 825985659 /nfs/dbraw/zinc/98/56/59/825985659.db2.gz KRDUBZMYQCCBSZ-MNOVXSKESA-N 2 0 251.334 -0.495 20 0 CBADRP C[C@@H](CC(=O)N1CCOCC1)[NH2+]CCOCC[NH3+] ZINC001256321818 826009710 /nfs/dbraw/zinc/00/97/10/826009710.db2.gz QFENYSFBMBQOHW-NSHDSACASA-N 2 0 259.350 -0.811 20 0 CBADRP C[C@H](CC(=O)N1CCOCC1)[NH2+]CCSCC[NH3+] ZINC001256330312 826013011 /nfs/dbraw/zinc/01/30/11/826013011.db2.gz NFNAIYMHQNZRKA-LLVKDONJSA-N 2 0 275.418 -0.095 20 0 CBADRP C[N@H+](C[C@H](O)CO)C1CCC([NH+]2CCOCC2)CC1 ZINC001256691017 826029427 /nfs/dbraw/zinc/02/94/27/826029427.db2.gz LUIJWKGXLNCISH-RUXDESIVSA-N 2 0 272.389 -0.085 20 0 CBADRP OC[C@H]1C[N@@H+](C2CCC([NH+]3CCOCC3)CC2)C[C@H]1O ZINC001256690062 826030013 /nfs/dbraw/zinc/03/00/13/826030013.db2.gz FNFORCSPABLXTA-XSCHDIRWSA-N 2 0 284.400 -0.085 20 0 CBADRP N[C@@H]1COC[C@H]1[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256679099 826030213 /nfs/dbraw/zinc/03/02/13/826030213.db2.gz CNMIQMDJJFAOKC-NWINJMCUSA-N 2 0 269.389 -0.055 20 0 CBADRP [NH3+]C[C@H](O)C[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256676597 826030256 /nfs/dbraw/zinc/03/02/56/826030256.db2.gz FOBHFBFGIHPNTK-BPCQOVAHSA-N 3 0 257.378 -0.461 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C[NH3+])C[C@H]1C(=O)OC ZINC001257715153 826051707 /nfs/dbraw/zinc/05/17/07/826051707.db2.gz BXNWRKUAEQNTDP-LMLFDSFASA-N 2 0 288.344 -0.974 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cn[nH]c1 ZINC001260957455 826480718 /nfs/dbraw/zinc/48/07/18/826480718.db2.gz AWVVQOXTSCCESD-UHFFFAOYSA-N 2 0 289.405 -0.476 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[C@H](C)[NH2+]C ZINC001261380788 826508969 /nfs/dbraw/zinc/50/89/69/826508969.db2.gz REIAVYSCUYTQHP-NWDGAFQWSA-N 2 0 286.420 -0.053 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001261384285 826509115 /nfs/dbraw/zinc/50/91/15/826509115.db2.gz LXZUKQUNWGWGBV-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001261379135 826509223 /nfs/dbraw/zinc/50/92/23/826509223.db2.gz TYRCUNKKSUECEG-IJLUTSLNSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001261379137 826509315 /nfs/dbraw/zinc/50/93/15/826509315.db2.gz TYRCUNKKSUECEG-WOPDTQHZSA-N 2 0 284.404 -0.219 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC001261379813 826509369 /nfs/dbraw/zinc/50/93/69/826509369.db2.gz NBPKZLZCZGWUOO-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP O=C(COC1CC[NH2+]CC1)NCC[C@H]1CC[NH2+]C1 ZINC001261460662 826516926 /nfs/dbraw/zinc/51/69/26/826516926.db2.gz LFSNWHDTSJZUIV-LLVKDONJSA-N 2 0 255.362 -0.129 20 0 CBADRP COCC1(C(=O)N2CC[C@@H](C[NH3+])C2)CC[NH2+]CC1 ZINC001261460852 826517782 /nfs/dbraw/zinc/51/77/82/826517782.db2.gz QVBXDDLZTHULIX-NSHDSACASA-N 2 0 255.362 -0.190 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCC[C@H]2O)CC1 ZINC001261483472 826522189 /nfs/dbraw/zinc/52/21/89/826522189.db2.gz UFSPIZGVYIAFIB-YNEHKIRRSA-N 2 0 257.378 -0.902 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001261493547 826525172 /nfs/dbraw/zinc/52/51/72/826525172.db2.gz HAOJRQUASXLPFI-YPMHNXCESA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@]1(C(=O)N2CCC(O)(C[NH3+])CC2)CCC[NH2+]C1 ZINC001261495774 826525375 /nfs/dbraw/zinc/52/53/75/826525375.db2.gz TUJZWFBRWFRRKP-GFCCVEGCSA-N 2 0 255.362 -0.312 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH3+])CC2)CC[N@@H+]1C ZINC001261495848 826525652 /nfs/dbraw/zinc/52/56/52/826525652.db2.gz XDVRBPGQTOETTF-GHMZBOCLSA-N 2 0 255.362 -0.361 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001261515618 826530883 /nfs/dbraw/zinc/53/08/83/826530883.db2.gz NTTPXWFWIAVBON-SDDRHHMPSA-N 2 0 255.362 -0.049 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001261515620 826531118 /nfs/dbraw/zinc/53/11/18/826531118.db2.gz NTTPXWFWIAVBON-TUAOUCFPSA-N 2 0 255.362 -0.049 20 0 CBADRP CC1(NC(=O)c2cn(CC[NH3+])nn2)CC[NH2+]CC1 ZINC001261631849 826548117 /nfs/dbraw/zinc/54/81/17/826548117.db2.gz HJZQPQFEJBOTNQ-UHFFFAOYSA-N 2 0 252.322 -0.891 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001261631956 826548193 /nfs/dbraw/zinc/54/81/93/826548193.db2.gz KPDQLFBWHIQBRF-SSDOTTSWSA-N 2 0 268.321 -0.965 20 0 CBADRP C[NH+]1CCC(NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC001261661569 826557530 /nfs/dbraw/zinc/55/75/30/826557530.db2.gz VKZKILUZZBEATA-UHFFFAOYSA-N 2 0 251.334 -0.175 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001261819667 826586560 /nfs/dbraw/zinc/58/65/60/826586560.db2.gz GRSLPGNNXFYOKP-GRYCIOLGSA-N 2 0 282.388 -0.547 20 0 CBADRP C[NH2+]C[C@@H](C)CNS(=O)(=O)CCC[NH+](C)C ZINC001261853849 826599046 /nfs/dbraw/zinc/59/90/46/826599046.db2.gz UCPIUEZGNFBWFL-SNVBAGLBSA-N 2 0 251.396 -0.287 20 0 CBADRP CCOC(=O)[C@H]1C[NH2+]CCN1CC12CC(C1)C[NH2+]2 ZINC001261903757 826606212 /nfs/dbraw/zinc/60/62/12/826606212.db2.gz JRZPADFVMQZQMZ-QWKFWESOSA-N 2 0 253.346 -0.425 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC001262007962 826618680 /nfs/dbraw/zinc/61/86/80/826618680.db2.gz XCGJZZNZPKYGTM-HNNXBMFYSA-N 2 0 298.431 -0.491 20 0 CBADRP C[NH2+]CCOCCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001262008966 826618693 /nfs/dbraw/zinc/61/86/93/826618693.db2.gz FYDAJYCVXFHSKS-LLVKDONJSA-N 2 0 296.375 -0.832 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001262033750 826626186 /nfs/dbraw/zinc/62/61/86/826626186.db2.gz IQQWOCHTJMDFMK-SRVKXCTJSA-N 2 0 284.404 -0.171 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262062284 826629403 /nfs/dbraw/zinc/62/94/03/826629403.db2.gz VRCDOODBTOCYMI-XQHKEYJVSA-N 2 0 296.415 -0.171 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001262066328 826630024 /nfs/dbraw/zinc/63/00/24/826630024.db2.gz YOKMIQLZWBUFAP-GMTAPVOTSA-N 2 0 280.372 -0.807 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001262066327 826630275 /nfs/dbraw/zinc/63/02/75/826630275.db2.gz YOKMIQLZWBUFAP-DCAQKATOSA-N 2 0 280.372 -0.807 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001262075116 826633298 /nfs/dbraw/zinc/63/32/98/826633298.db2.gz KHQVHJFWGDEWLH-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)([NH3+])CCNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001262098974 826636328 /nfs/dbraw/zinc/63/63/28/826636328.db2.gz YGQTXOBURSZJMW-JTQLQIEISA-N 2 0 258.366 -0.127 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC001262096692 826636359 /nfs/dbraw/zinc/63/63/59/826636359.db2.gz DNCJJNKQHADHCX-UKKRHICBSA-N 2 0 256.350 -0.519 20 0 CBADRP c1nc2n(n1)[C@H](CN1CC[NH2+]CC[NH2+]CC1)CC2 ZINC001262195228 826657355 /nfs/dbraw/zinc/65/73/55/826657355.db2.gz UHWKCQMVQCMNSV-NSHDSACASA-N 2 0 250.350 -0.740 20 0 CBADRP CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2C[NH2+]C2)C1 ZINC001262196154 826658065 /nfs/dbraw/zinc/65/80/65/826658065.db2.gz ZOHLMLFKGRUKJY-JTQLQIEISA-N 2 0 261.391 -0.391 20 0 CBADRP C[C@H](CC(N)=O)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001262202673 826660709 /nfs/dbraw/zinc/66/07/09/826660709.db2.gz ZOQNMVUXNKLBSI-ZJUUUORDSA-N 2 0 269.345 -0.475 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001262546460 826704653 /nfs/dbraw/zinc/70/46/53/826704653.db2.gz ZGWSENFXTKEBMT-YNEHKIRRSA-N 2 0 296.415 -0.489 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001262563025 826710087 /nfs/dbraw/zinc/71/00/87/826710087.db2.gz SCYUFMMRQPFCKU-VXGBXAGGSA-N 2 0 272.393 -0.138 20 0 CBADRP O=C(NCC[NH2+]C1CC1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001262583875 826712428 /nfs/dbraw/zinc/71/24/28/826712428.db2.gz LBCVVZJRHUIZOQ-KBPBESRZSA-N 2 0 296.415 -0.021 20 0 CBADRP O=C(NCC[NH2+]C1CC1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001262583878 826712725 /nfs/dbraw/zinc/71/27/25/826712725.db2.gz LBCVVZJRHUIZOQ-ZIAGYGMSSA-N 2 0 296.415 -0.021 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001262586913 826713379 /nfs/dbraw/zinc/71/33/79/826713379.db2.gz OIWGMMRIPPMYCC-VHSXEESVSA-N 2 0 256.350 -0.728 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001262589450 826714558 /nfs/dbraw/zinc/71/45/58/826714558.db2.gz IOTPOFZULKPGKL-UMSPYCQHSA-N 2 0 269.393 -0.554 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCc1ccccc1C[NH3+] ZINC001263062030 826732240 /nfs/dbraw/zinc/73/22/40/826732240.db2.gz IVPPDKPRBZHQKZ-GXFFZTMASA-N 2 0 265.357 -0.022 20 0 CBADRP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001263067043 826732377 /nfs/dbraw/zinc/73/23/77/826732377.db2.gz BYQVBXLNHLGSOO-QWRGUYRKSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O)[NH+](C)C ZINC001263097148 826736257 /nfs/dbraw/zinc/73/62/57/826736257.db2.gz NQHLUPITJRDLJN-GHMZBOCLSA-N 2 0 270.377 -0.750 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC001263096555 826736560 /nfs/dbraw/zinc/73/65/60/826736560.db2.gz VMKFIKIPELDEFE-NXEZZACHSA-N 2 0 257.334 -0.665 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001263099828 826736787 /nfs/dbraw/zinc/73/67/87/826736787.db2.gz WCWXKOUNFLHYPQ-STQMWFEESA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)[NH+](C)C ZINC001263097150 826736835 /nfs/dbraw/zinc/73/68/35/826736835.db2.gz NQHLUPITJRDLJN-QWRGUYRKSA-N 2 0 270.377 -0.750 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)c2ccn(CCC[NH3+])n2)C1 ZINC001263096572 826736881 /nfs/dbraw/zinc/73/68/81/826736881.db2.gz VWEHZGBSWRZXRJ-NSHDSACASA-N 2 0 265.361 -0.087 20 0 CBADRP [NH3+]CCNCC(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC001263100233 826737229 /nfs/dbraw/zinc/73/72/29/826737229.db2.gz IXAULIPLLJTCOC-UHFFFAOYSA-N 2 0 298.431 -0.314 20 0 CBADRP C[C@@H](CNC(=O)c1ccn(CCC[NH3+])n1)[NH+](C)C ZINC001263096851 826737259 /nfs/dbraw/zinc/73/72/59/826737259.db2.gz DWGVETOCLZHNPC-JTQLQIEISA-N 2 0 253.350 -0.088 20 0 CBADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)C[C@@H](O)C[NH3+])C1 ZINC001263101731 826737959 /nfs/dbraw/zinc/73/79/59/826737959.db2.gz AJPCWPJQOZVPGL-NWDGAFQWSA-N 2 0 257.378 -0.114 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]CCN2C)C[N@@H+]1C1CC1 ZINC001263103421 826738441 /nfs/dbraw/zinc/73/84/41/826738441.db2.gz YRSNUVMDKNAONG-NQBHXWOUSA-N 2 0 266.389 -0.369 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)NC[C@H]([NH3+])C2CC2)CCOCC1 ZINC001263104663 826738456 /nfs/dbraw/zinc/73/84/56/826738456.db2.gz OZXMIDXSRVMWOG-KOLCDFICSA-N 2 0 255.362 -0.016 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001263103251 826738562 /nfs/dbraw/zinc/73/85/62/826738562.db2.gz UELMWRLHENTIAG-DZGCQCFKSA-N 2 0 298.431 -0.757 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC001263104251 826738635 /nfs/dbraw/zinc/73/86/35/826738635.db2.gz ATEPZSUZYAOWIH-MCIONIFRSA-N 2 0 299.415 -0.114 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N[C@@H]2CCC[NH2+]CC2)C1=O ZINC001263106327 826739019 /nfs/dbraw/zinc/73/90/19/826739019.db2.gz SBYKAEJEAXSJHO-NEPJUHHUSA-N 2 0 282.388 -0.558 20 0 CBADRP C[NH2+]C1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCC1 ZINC001263108052 826739066 /nfs/dbraw/zinc/73/90/66/826739066.db2.gz MVVLXEVXFABFPO-LBPRGKRZSA-N 2 0 266.389 -0.365 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCCC[C@H]1CC[NH3+] ZINC001263107801 826739210 /nfs/dbraw/zinc/73/92/10/826739210.db2.gz GKFOYIGVIZBIHP-RYUDHWBXSA-N 2 0 254.378 -0.380 20 0 CBADRP C[C@H]([NH3+])CNC(=O)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC001263107169 826739597 /nfs/dbraw/zinc/73/95/97/826739597.db2.gz PKAQHFSIQVOBTM-WHOHXGKFSA-N 2 0 255.362 -0.003 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC001263108466 826739843 /nfs/dbraw/zinc/73/98/43/826739843.db2.gz YBMORERIGAIVMZ-XWLWVQCSSA-N 2 0 261.341 -0.639 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C[C@@]2(O)CCC[NH2+]C2)CC[NH2+]1 ZINC001263106823 826739878 /nfs/dbraw/zinc/73/98/78/826739878.db2.gz GTIYLVWSIUYRMK-WZRBSPASSA-N 2 0 255.362 -0.252 20 0 CBADRP O=C(NCC[C@H]1CSCC[NH2+]1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001263134480 826742679 /nfs/dbraw/zinc/74/26/79/826742679.db2.gz VHBYKSKGNWFBCL-XWLWVQCSSA-N 2 0 255.387 -0.194 20 0 CBADRP O=C(NCCC[NH2+]C1CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001263136158 826743058 /nfs/dbraw/zinc/74/30/58/826743058.db2.gz UBRRLHPOROZRHC-GWCFXTLKSA-N 2 0 253.346 -0.519 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)N1CCC2(C[NH2+]C2)CC1 ZINC001263150778 826743619 /nfs/dbraw/zinc/74/36/19/826743619.db2.gz KSLRWZTWBXHYHG-GFCCVEGCSA-N 2 0 267.373 -0.033 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCC1CC[NH2+]CC1 ZINC001263151208 826743649 /nfs/dbraw/zinc/74/36/49/826743649.db2.gz VZYUGSZUTNKETQ-JQWIXIFHSA-N 2 0 257.378 -0.291 20 0 CBADRP O=C(NCC1(O)C[NH2+]C1)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001263153481 826744685 /nfs/dbraw/zinc/74/46/85/826744685.db2.gz NURMTMPAKFLPSV-GXFFZTMASA-N 2 0 253.346 -0.641 20 0 CBADRP CC[C@@]1(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CCC[NH2+]1 ZINC001263155775 826745025 /nfs/dbraw/zinc/74/50/25/826745025.db2.gz FPAZNKYUMWIORF-GWCFXTLKSA-N 2 0 253.346 -0.234 20 0 CBADRP O=C(N[C@H]1COC2(C[NH2+]C2)C1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001263156024 826745167 /nfs/dbraw/zinc/74/51/67/826745167.db2.gz LCBFTPXZYACCNI-CHWFTXMASA-N 2 0 251.330 -0.911 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001263156481 826745214 /nfs/dbraw/zinc/74/52/14/826745214.db2.gz XSILBINLONKELB-RKDXNWHRSA-N 2 0 259.375 -0.686 20 0 CBADRP CSCC[C@H]([NH3+])C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001263156478 826745513 /nfs/dbraw/zinc/74/55/13/826745513.db2.gz XSILBINLONKELB-BDAKNGLRSA-N 2 0 259.375 -0.686 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[C@H](O)C[NH2+]C)C1 ZINC001263160959 826745965 /nfs/dbraw/zinc/74/59/65/826745965.db2.gz SDPIWAMVIULLSX-GRYCIOLGSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC12CC(C1)C[NH2+]2 ZINC001263160895 826746603 /nfs/dbraw/zinc/74/66/03/826746603.db2.gz QGMAZTYLFBWJBR-JJMZSNKZSA-N 2 0 264.373 -0.757 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001263164778 826747095 /nfs/dbraw/zinc/74/70/95/826747095.db2.gz HCEDGJJYYVKSDL-TZMCWYRMSA-N 2 0 269.389 -0.053 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001263164777 826747504 /nfs/dbraw/zinc/74/75/04/826747504.db2.gz HCEDGJJYYVKSDL-OCCSQVGLSA-N 2 0 269.389 -0.053 20 0 CBADRP [NH3+]CCCOCCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001263167203 826747986 /nfs/dbraw/zinc/74/79/86/826747986.db2.gz DHWSQFYLACYYPP-YPMHNXCESA-N 2 0 271.361 -0.906 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC001263176182 826749598 /nfs/dbraw/zinc/74/95/98/826749598.db2.gz YBYSZVRJEKTQGL-JBLDHEPKSA-N 2 0 257.378 -0.293 20 0 CBADRP C[N@@H+]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1(C)C ZINC001263181711 826750705 /nfs/dbraw/zinc/75/07/05/826750705.db2.gz UGFFDKPRFQONGU-GFCCVEGCSA-N 2 0 296.415 -0.264 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001263210936 826753673 /nfs/dbraw/zinc/75/36/73/826753673.db2.gz YXKWHFLQUCDCHZ-ZDUSSCGKSA-N 2 0 268.405 -0.119 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C1 ZINC001263211706 826754177 /nfs/dbraw/zinc/75/41/77/826754177.db2.gz AOMGQRJYUDBKRO-CYZMBNFOSA-N 2 0 253.346 -0.702 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)CC[NH2+]CC2CC2)C1 ZINC001263212466 826754194 /nfs/dbraw/zinc/75/41/94/826754194.db2.gz TXRPUARLLATCIG-ZDUSSCGKSA-N 2 0 255.362 -0.312 20 0 CBADRP C[C@]([NH3+])(C(=O)N1CCNCC[NH2+]CC1)c1ccccc1 ZINC001263211221 826754361 /nfs/dbraw/zinc/75/43/61/826754361.db2.gz JISBXRVGKKUAKF-OAHLLOKOSA-N 2 0 276.384 -0.118 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC001263215664 826755047 /nfs/dbraw/zinc/75/50/47/826755047.db2.gz CINSSWWOVCFFCL-HNCHTBHHSA-N 2 0 255.362 -0.193 20 0 CBADRP COC1(C(=O)N2CC[C@@H](CC[NH3+])C2)CC[NH2+]CC1 ZINC001263214349 826755476 /nfs/dbraw/zinc/75/54/76/826755476.db2.gz ORHCGNRSCOKFOP-LLVKDONJSA-N 2 0 255.362 -0.048 20 0 CBADRP COC1(C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC001263226302 826756076 /nfs/dbraw/zinc/75/60/76/826756076.db2.gz OSWDRWXMYIOOLL-MNOVXSKESA-N 2 0 255.362 -0.001 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)CC1CC([NH3+])C1 ZINC001263253913 826758587 /nfs/dbraw/zinc/75/85/87/826758587.db2.gz XNDRRPVZPBWRPQ-MCIGGMRASA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)CNCC[NH3+])C[C@@H]2C1 ZINC001263265931 826760724 /nfs/dbraw/zinc/76/07/24/826760724.db2.gz YCUDGGSMYAGJIN-RWMBFGLXSA-N 2 0 268.405 -0.277 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC001263260458 826760728 /nfs/dbraw/zinc/76/07/28/826760728.db2.gz BSSBJQWDCYOOCR-LOWVWBTDSA-N 2 0 253.346 -0.567 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001263298679 826762518 /nfs/dbraw/zinc/76/25/18/826762518.db2.gz FBELJVJZRYUTMY-NOAZCAFFSA-N 2 0 255.362 -0.411 20 0 CBADRP C[C@@]1(C(=O)NC[C@H]2CCC[NH2+]CC2)C[NH2+]CCO1 ZINC001263322773 826764059 /nfs/dbraw/zinc/76/40/59/826764059.db2.gz WHPMWBMVKWAQBF-AAEUAGOBSA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCOCCO ZINC001264172798 826800206 /nfs/dbraw/zinc/80/02/06/826800206.db2.gz QURJBCWUFJBKOU-RDBSUJKOSA-N 2 0 299.415 -0.474 20 0 CBADRP CN1CC[C@@H]([N@H+](C)CCCNC(=O)C[NH+]2CCCC2)C1=O ZINC001265068219 826841089 /nfs/dbraw/zinc/84/10/89/826841089.db2.gz BDQMCJQVQYROEO-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCO)C1 ZINC001265235942 826856393 /nfs/dbraw/zinc/85/63/93/826856393.db2.gz ZJGVBXRJAUFPDD-GFCCVEGCSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001265223051 826857519 /nfs/dbraw/zinc/85/75/19/826857519.db2.gz PLLJMBVAJBCCKP-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCOCCO)C1)[NH+](C)C ZINC001265312048 826879805 /nfs/dbraw/zinc/87/98/05/826879805.db2.gz GGPWXMSCGPJFCX-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCCO)C2)CC[N@@H+]1C ZINC001265430739 826893503 /nfs/dbraw/zinc/89/35/03/826893503.db2.gz HOUBCXNKQQVKRR-FRRDWIJNSA-N 2 0 269.389 -0.101 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001265573188 826904824 /nfs/dbraw/zinc/90/48/24/826904824.db2.gz XXDSAQKFOMVPLF-SDDRHHMPSA-N 2 0 257.378 -0.056 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC[C@H]([NH2+]CCOCCO)C2)CCC1 ZINC001265910670 826937307 /nfs/dbraw/zinc/93/73/07/826937307.db2.gz JLICUTOCBWLANK-ZDUSSCGKSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[N@H+](CCO)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001266028126 826949230 /nfs/dbraw/zinc/94/92/30/826949230.db2.gz JJMWQTWPRBCDQM-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP C[C@H](O)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001266326678 826983915 /nfs/dbraw/zinc/98/39/15/826983915.db2.gz HGJURABSTFNHMI-NEPJUHHUSA-N 2 0 257.378 -0.243 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCO)C1)[NH+](C)C ZINC001266622618 827033517 /nfs/dbraw/zinc/03/35/17/827033517.db2.gz KPYCLZFOPBBNGN-SRVKXCTJSA-N 2 0 257.378 -0.054 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001266640643 827038114 /nfs/dbraw/zinc/03/81/14/827038114.db2.gz XXDSAQKFOMVPLF-IJLUTSLNSA-N 2 0 257.378 -0.056 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001266712954 827056179 /nfs/dbraw/zinc/05/61/79/827056179.db2.gz KLZKVHBPTADVQP-AEJSXWLSSA-N 2 0 256.350 -0.951 20 0 CBADRP COc1ccc(C[NH2+]CCN(C)C(=O)CC[NH+](C)C)nn1 ZINC001266827481 827071842 /nfs/dbraw/zinc/07/18/42/827071842.db2.gz ZCFDYBGFERVYTJ-UHFFFAOYSA-N 2 0 295.387 -0.015 20 0 CBADRP CC[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NC)[NH+](C)C ZINC001266836211 827072885 /nfs/dbraw/zinc/07/28/85/827072885.db2.gz JGNGZVDVAIEVCV-JTQLQIEISA-N 2 0 258.366 -0.879 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC)[NH+](C)C ZINC001266971442 827100259 /nfs/dbraw/zinc/10/02/59/827100259.db2.gz MLZUZRPZSPGRKI-UWVGGRQHSA-N 2 0 258.366 -0.833 20 0 CBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCOCCO ZINC001266985601 827104185 /nfs/dbraw/zinc/10/41/85/827104185.db2.gz NITOYFYJPSNRTI-LBPRGKRZSA-N 2 0 285.388 -0.815 20 0 CBADRP CN(CC[NH2+]CCO)C(=O)CCC[NH+]1CCCC1 ZINC001267118037 827115272 /nfs/dbraw/zinc/11/52/72/827115272.db2.gz ZSBQTWBSMLPVCV-UHFFFAOYSA-N 2 0 257.378 -0.097 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C[C@@H](C)O ZINC001267238986 827134686 /nfs/dbraw/zinc/13/46/86/827134686.db2.gz WLNWCSHTDVEJHG-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP CNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001267393323 827164200 /nfs/dbraw/zinc/16/42/00/827164200.db2.gz BNIGSHKMBURGHH-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(C)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267391323 827164386 /nfs/dbraw/zinc/16/43/86/827164386.db2.gz GMZHNLVFFREBDH-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP CN(C)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001267414449 827167497 /nfs/dbraw/zinc/16/74/97/827167497.db2.gz HLYRCUOAZRBBPZ-LLVKDONJSA-N 2 0 270.377 -0.783 20 0 CBADRP CN(CC[NH2+]CC(=O)NC(C)(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267469052 827175509 /nfs/dbraw/zinc/17/55/09/827175509.db2.gz GMWIWRMHXGVYSW-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](O)C[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267689599 827199513 /nfs/dbraw/zinc/19/95/13/827199513.db2.gz MZLMHYDGGUDWIK-NSHDSACASA-N 2 0 269.389 -0.243 20 0 CBADRP CC(C)[NH2+]C[C@@H](O)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268322151 827299522 /nfs/dbraw/zinc/29/95/22/827299522.db2.gz PNKZRUFXISQBOH-NWDGAFQWSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@@H](CC[NH2+]Cc1nncn1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268347181 827312395 /nfs/dbraw/zinc/31/23/95/827312395.db2.gz BDOXCIQYAQWIDS-RYUDHWBXSA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@H](CC[NH2+]Cc1ncnn1C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268390243 827320881 /nfs/dbraw/zinc/32/08/81/827320881.db2.gz AHMOQIJMDXHAJG-VXGBXAGGSA-N 2 0 294.403 -0.106 20 0 CBADRP CCN(CC[NH2+]CC(N)=O)C(=O)C[N@H+](C)C1CCC1 ZINC001268454355 827334923 /nfs/dbraw/zinc/33/49/23/827334923.db2.gz RXIMEMUQPRRSBT-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP CC(C)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268521743 827353553 /nfs/dbraw/zinc/35/35/53/827353553.db2.gz IQNYDVRPPHJDJC-ZFDPJTLLSA-N 2 0 296.415 -0.133 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]CCO)CC[N@@H+]1C ZINC001268542342 827361084 /nfs/dbraw/zinc/36/10/84/827361084.db2.gz OUTVHZDVEWVKKK-QITAHTHBSA-N 2 0 269.389 -0.029 20 0 CBADRP CC[C@H](C(=O)NC/C=C\C[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001268553423 827361912 /nfs/dbraw/zinc/36/19/12/827361912.db2.gz AGQAONGWLAVWFH-GKKDLHFNSA-N 2 0 282.388 -0.523 20 0 CBADRP CC[C@H](C(=O)NC/C=C/C[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001268553422 827362191 /nfs/dbraw/zinc/36/21/91/827362191.db2.gz AGQAONGWLAVWFH-CYLBZQBVSA-N 2 0 282.388 -0.523 20 0 CBADRP C[NH+](C)CCC(=O)NC/C=C/C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268588413 827372942 /nfs/dbraw/zinc/37/29/42/827372942.db2.gz RILBCEDWKMMFFN-PGLGOXFNSA-N 2 0 296.371 -0.995 20 0 CBADRP CC[C@@H](C(=O)NC/C=C\C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001268591909 827375370 /nfs/dbraw/zinc/37/53/70/827375370.db2.gz DEBWBPGUXPBZAR-KRZKBDHCSA-N 2 0 284.404 -0.323 20 0 CBADRP CC[C@H](C(=O)NC/C=C\C[NH2+]CC(N)=O)[NH+](C)C ZINC001268616525 827380767 /nfs/dbraw/zinc/38/07/67/827380767.db2.gz IRFFXUIGSKAEQQ-WWQCOOJYSA-N 2 0 256.350 -0.926 20 0 CBADRP CC[C@@H](C(=O)NC/C=C/C[NH2+]CC(N)=O)[NH+](C)C ZINC001268616524 827381471 /nfs/dbraw/zinc/38/14/71/827381471.db2.gz IRFFXUIGSKAEQQ-PORFMDCZSA-N 2 0 256.350 -0.926 20 0 CBADRP C[C@H](C[NH2+]CCO)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268644794 827390790 /nfs/dbraw/zinc/39/07/90/827390790.db2.gz BARYHJOBVFBLJD-PWSUYJOCSA-N 2 0 255.362 -0.585 20 0 CBADRP C[C@H](C[N@H+](C)CCCO)NC(=O)C12CC[NH+](CC1)C2 ZINC001268752497 827416732 /nfs/dbraw/zinc/41/67/32/827416732.db2.gz PEQQQGNGMBBZTE-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC(N)=O ZINC001268791511 827424033 /nfs/dbraw/zinc/42/40/33/827424033.db2.gz OEUKAWMBPPKUMY-LBPRGKRZSA-N 2 0 284.404 -0.217 20 0 CBADRP CN(CCC[NH2+]Cc1nnnn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268946581 827442991 /nfs/dbraw/zinc/44/29/91/827442991.db2.gz PBHFGHFZBTUTCA-LLVKDONJSA-N 2 0 295.391 -0.900 20 0 CBADRP CN(CCC[NH2+]Cc1nnnn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268946582 827443426 /nfs/dbraw/zinc/44/34/26/827443426.db2.gz PBHFGHFZBTUTCA-NSHDSACASA-N 2 0 295.391 -0.900 20 0 CBADRP CN(CC(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1)C(N)=[NH2+] ZINC001268995862 827446693 /nfs/dbraw/zinc/44/66/93/827446693.db2.gz DCMMCYBTMVULCQ-ZDUSSCGKSA-N 2 0 267.377 -0.244 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCO)CC1 ZINC001269438036 827508653 /nfs/dbraw/zinc/50/86/53/827508653.db2.gz YIWUYFDAZHDETC-NSHDSACASA-N 2 0 255.362 -0.299 20 0 CBADRP C[C@@H](O)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001269489301 827513828 /nfs/dbraw/zinc/51/38/28/827513828.db2.gz MFHZGDZFDQGEFF-VXGBXAGGSA-N 2 0 269.389 -0.053 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]C[C@H](C)O)CC1 ZINC001269518626 827516355 /nfs/dbraw/zinc/51/63/55/827516355.db2.gz HVIHSGHVRGPWCY-NSHDSACASA-N 2 0 257.378 -0.053 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCO)C1 ZINC001270187283 827553066 /nfs/dbraw/zinc/55/30/66/827553066.db2.gz HSKIUFIWRIQMGK-VXGBXAGGSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]CCO ZINC001270418599 827564974 /nfs/dbraw/zinc/56/49/74/827564974.db2.gz BFCLKHAWEWECLU-LLVKDONJSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)CC[NH+](C)C ZINC001271090649 827621346 /nfs/dbraw/zinc/62/13/46/827621346.db2.gz BIZXGRAVKCNKDL-ZJUUUORDSA-N 2 0 258.366 -0.752 20 0 CBADRP CCOCCN1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001271388276 827698135 /nfs/dbraw/zinc/69/81/35/827698135.db2.gz UVFLPZRHCBBUTE-LBPRGKRZSA-N 2 0 285.388 -0.863 20 0 CBADRP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C)C2 ZINC001272273546 827776992 /nfs/dbraw/zinc/77/69/92/827776992.db2.gz PYGGXMRLNSBPRQ-QWRGUYRKSA-N 2 0 253.346 -0.785 20 0 CBADRP COCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001272453516 827800289 /nfs/dbraw/zinc/80/02/89/827800289.db2.gz LFQAAAKXYCZZLY-VXGBXAGGSA-N 2 0 273.377 -0.816 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC[C@H](CC[NH2+]CC(N)=O)C2)CCC1 ZINC001272458461 827803262 /nfs/dbraw/zinc/80/32/62/827803262.db2.gz YXXKSGUQPFIYJS-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+](C)CCN1C(=O)COCC12C[NH+](C[C@@H]1CCOC1)C2 ZINC001272508882 827809099 /nfs/dbraw/zinc/80/90/99/827809099.db2.gz QQOIISVJYSVFPR-ZDUSSCGKSA-N 2 0 297.399 -0.502 20 0 CBADRP COCC[NH2+]C[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001272538057 827816896 /nfs/dbraw/zinc/81/68/96/827816896.db2.gz ZPSAGWYWKWJNRY-CYBMUJFWSA-N 2 0 287.404 -0.569 20 0 CBADRP CC1CC[NH+](CC(=O)NC[C@H](O)C[NH2+]CCCO)CC1 ZINC001272553793 827820796 /nfs/dbraw/zinc/82/07/96/827820796.db2.gz RLDFGCRGZHRNOB-CYBMUJFWSA-N 2 0 287.404 -0.833 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001272555619 827821482 /nfs/dbraw/zinc/82/14/82/827821482.db2.gz OLYDAYVUPVPOMX-FRRDWIJNSA-N 2 0 266.389 -0.463 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCF ZINC001272582927 827824641 /nfs/dbraw/zinc/82/46/41/827824641.db2.gz DFXZIXKUVRUAJN-NWDGAFQWSA-N 2 0 275.368 -0.103 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CCC2CC2)C1 ZINC001272576282 827824231 /nfs/dbraw/zinc/82/42/31/827824231.db2.gz XPDYBQHHTVHASV-STQMWFEESA-N 2 0 269.389 -0.195 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CCC2CC2)C1 ZINC001272576279 827824986 /nfs/dbraw/zinc/82/49/86/827824986.db2.gz XPDYBQHHTVHASV-CHWSQXEVSA-N 2 0 269.389 -0.195 20 0 CBADRP O=C1COCC2(C[NH+](CC3CC[NH2+]CC3)C2)N1C1COC1 ZINC001273029360 827857653 /nfs/dbraw/zinc/85/76/53/827857653.db2.gz BUIABOPDXZHUQP-UHFFFAOYSA-N 2 0 295.383 -0.702 20 0 CBADRP C[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CC[C@H](O)C3)C[C@H]2CC1 ZINC001273070029 827861652 /nfs/dbraw/zinc/86/16/52/827861652.db2.gz PPLJJRFUTMRMDR-MJBXVCDLSA-N 2 0 281.400 -0.147 20 0 CBADRP C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@H](O)C1)CC2 ZINC001273070008 827861751 /nfs/dbraw/zinc/86/17/51/827861751.db2.gz PCMHNEFWQYVCPD-ZDUSSCGKSA-N 2 0 281.400 -0.003 20 0 CBADRP C[NH+](C)CCN1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273108933 827865659 /nfs/dbraw/zinc/86/56/59/827865659.db2.gz WOUVQGFEHHYZMO-HNNXBMFYSA-N 2 0 298.431 -0.587 20 0 CBADRP C[C@H](CC[NH2+]CC(=O)N(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001273123539 827867865 /nfs/dbraw/zinc/86/78/65/827867865.db2.gz VZQGBUIXZFMZBX-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273175971 827871585 /nfs/dbraw/zinc/87/15/85/827871585.db2.gz NLJXVRCDOCCIJG-WDEREUQCSA-N 2 0 270.377 -0.832 20 0 CBADRP CN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CCC[N@H+](C)C1 ZINC001273426284 827900288 /nfs/dbraw/zinc/90/02/88/827900288.db2.gz HKPXMYIKULRZKD-RWMBFGLXSA-N 2 0 267.373 -0.130 20 0 CBADRP COCC[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273506289 827905594 /nfs/dbraw/zinc/90/55/94/827905594.db2.gz NGRFRMHEQNRWIJ-CQSZACIVSA-N 2 0 285.388 -0.502 20 0 CBADRP C[NH+](C)CCCN1CC[C@@]2(C1)CN(C1COC1)C(=O)CO2 ZINC001273713686 827920705 /nfs/dbraw/zinc/92/07/05/827920705.db2.gz KFZHCABROOOHLU-OAHLLOKOSA-N 2 0 297.399 -0.360 20 0 CBADRP CCN(CC[NH2+]C[C@H](O)COC)C(=O)C12CC[NH+](CC1)C2 ZINC001273709962 827920972 /nfs/dbraw/zinc/92/09/72/827920972.db2.gz DMCBFDFPEZJAEA-ZDUSSCGKSA-N 2 0 299.415 -0.472 20 0 CBADRP COC(=O)C[N@@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273931482 827943605 /nfs/dbraw/zinc/94/36/05/827943605.db2.gz LGBSCKDIDCJZNI-CQSZACIVSA-N 2 0 283.372 -0.355 20 0 CBADRP CC(=O)[C@H](C)N1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273982143 827948845 /nfs/dbraw/zinc/94/88/45/827948845.db2.gz IYVOLOALNGWPJP-WFASDCNBSA-N 2 0 297.399 -0.171 20 0 CBADRP COC[C@H](O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001274038677 827954780 /nfs/dbraw/zinc/95/47/80/827954780.db2.gz XRIZNTZJKYKTDC-TUCADOHPSA-N 2 0 299.415 -0.404 20 0 CBADRP CC[C@H]([NH2+]C/C=C/CNC(=O)Cc1c[nH]cn1)C(N)=O ZINC001274394868 827986888 /nfs/dbraw/zinc/98/68/88/827986888.db2.gz QEFAAFMOXJCINX-UFFNRZRYSA-N 2 0 279.344 -0.522 20 0 CBADRP CC[C@@H]([NH2+]C/C=C\CNC(=O)Cc1c[nH]cn1)C(N)=O ZINC001274394866 827986912 /nfs/dbraw/zinc/98/69/12/827986912.db2.gz QEFAAFMOXJCINX-DLRQAJBASA-N 2 0 279.344 -0.522 20 0 CBADRP CC[C@@H](C(=O)NC/C=C\C[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001274512438 827996063 /nfs/dbraw/zinc/99/60/63/827996063.db2.gz XXIKHELPLQFEGO-SZZPACECSA-N 2 0 296.415 -0.179 20 0 CBADRP Cc1nc[nH]c1CC(=O)NC/C=C\C[NH2+]CC(=O)N(C)C ZINC001274537246 827997338 /nfs/dbraw/zinc/99/73/38/827997338.db2.gz ZOHLPKPYODZAHK-PLNGDYQASA-N 2 0 293.371 -0.389 20 0 CBADRP CC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274551940 827997581 /nfs/dbraw/zinc/99/75/81/827997581.db2.gz CXDBNFHJOVSXNH-HIFRSBDPSA-N 2 0 299.415 -0.378 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001274607930 828008789 /nfs/dbraw/zinc/00/87/89/828008789.db2.gz BIGUWVASETYXHR-OPVGQWETSA-N 2 0 282.388 -0.394 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001275039304 828050389 /nfs/dbraw/zinc/05/03/89/828050389.db2.gz RCHOBWICPSSDNM-ZJUUUORDSA-N 2 0 258.366 -0.705 20 0 CBADRP CN(C)C(=O)C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C)CC3)[C@@H]2C1 ZINC001275045876 828052627 /nfs/dbraw/zinc/05/26/27/828052627.db2.gz TVZHXHIFJBKLET-VXGBXAGGSA-N 2 0 294.399 -0.783 20 0 CBADRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CCC(=O)N1)C2 ZINC001275189191 828064520 /nfs/dbraw/zinc/06/45/20/828064520.db2.gz ZIVKYOGGWRXIJH-MCIONIFRSA-N 2 0 280.416 -0.167 20 0 CBADRP C[NH+](C)CCN1CCC2(C[NH+](C[C@@H]3CCC(=O)N3)C2)C1 ZINC001275187682 828065044 /nfs/dbraw/zinc/06/50/44/828065044.db2.gz KOUIFBKMFIKGSP-ZDUSSCGKSA-N 2 0 280.416 -0.166 20 0 CBADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2C[C@H]1CN(CC[NH+](C)C)C2 ZINC001275198853 828065913 /nfs/dbraw/zinc/06/59/13/828065913.db2.gz CJLFZTWKCTWFEH-OLZOCXBDSA-N 2 0 268.405 -0.358 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001275199695 828067622 /nfs/dbraw/zinc/06/76/22/828067622.db2.gz QGNWWYFIXZIURP-QWHCGFSZSA-N 2 0 268.405 -0.358 20 0 CBADRP C[C@@H](C[N@H+](C)CCO)NC(=O)C12CC[NH+](CC1)C2 ZINC001275698372 828108469 /nfs/dbraw/zinc/10/84/69/828108469.db2.gz QLZPPQMRROHFQM-NSHDSACASA-N 2 0 255.362 -0.489 20 0 CBADRP CNC(=O)C[NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001276100151 828134736 /nfs/dbraw/zinc/13/47/36/828134736.db2.gz YTFNAGUZWDFLHT-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CCC[NH2+][C@@H]1CCNC1=O ZINC001276339646 828141903 /nfs/dbraw/zinc/14/19/03/828141903.db2.gz IQVISLRLUMFSBL-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001276379689 828143533 /nfs/dbraw/zinc/14/35/33/828143533.db2.gz OZLAUHHHNQFHAA-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP COC(=O)[C@@H](C)C[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001276523769 828148061 /nfs/dbraw/zinc/14/80/61/828148061.db2.gz QKHZWYGEVBQJHR-LBPRGKRZSA-N 2 0 269.389 -0.025 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1C[C@@H](C)O ZINC001276956891 828169271 /nfs/dbraw/zinc/16/92/71/828169271.db2.gz PKCHPWVJEKTFMK-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](C[C@@H]3COCCO3)[C@@H]2C1 ZINC001277526408 828192898 /nfs/dbraw/zinc/19/28/98/828192898.db2.gz DCIFLUDTRWCBHQ-RRFJBIMHSA-N 2 0 283.416 -0.031 20 0 CBADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](C[C@H]3COCCO3)C[C@H]21 ZINC001277527156 828194544 /nfs/dbraw/zinc/19/45/44/828194544.db2.gz WBUHENMGRHJSPF-ZNMIVQPWSA-N 2 0 299.415 -0.652 20 0 CBADRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2CC(=O)NC1CC1 ZINC001277630316 828199604 /nfs/dbraw/zinc/19/96/04/828199604.db2.gz HSSPHKMJYZXJPF-KBPBESRZSA-N 2 0 280.416 -0.025 20 0 CBADRP CN(C)C(=O)C1=NO[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]12 ZINC001277822847 828211919 /nfs/dbraw/zinc/21/19/19/828211919.db2.gz ZJHDIAGLQBEGLG-NWDGAFQWSA-N 2 0 280.372 -0.239 20 0 CBADRP NC(=O)[C@H]1CCC2(C[NH+](CC3CC[NH2+]CC3)C2)O1 ZINC001277821875 828212053 /nfs/dbraw/zinc/21/20/53/828212053.db2.gz MXSDKDFAZVJAPA-LLVKDONJSA-N 2 0 253.346 -0.295 20 0 CBADRP COC(=O)CC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277872696 828215896 /nfs/dbraw/zinc/21/58/96/828215896.db2.gz YGKCDERARSDAAQ-OLZOCXBDSA-N 2 0 285.388 -0.504 20 0 CBADRP COC(=O)CC[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001277872435 828215925 /nfs/dbraw/zinc/21/59/25/828215925.db2.gz RZSORHWNCRPYLM-BETUJISGSA-N 2 0 285.388 -0.504 20 0 CBADRP CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001277910664 828218234 /nfs/dbraw/zinc/21/82/34/828218234.db2.gz TVEJRPGXXSHNTP-OKILXGFUSA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001277960076 828221957 /nfs/dbraw/zinc/22/19/57/828221957.db2.gz YXRMUNKYJCAQOP-WOPDTQHZSA-N 2 0 267.373 -0.491 20 0 CBADRP C[C@@H](O)C[NH+]1CC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001277955715 828222143 /nfs/dbraw/zinc/22/21/43/828222143.db2.gz UALFMVFCADAOLC-TZMCWYRMSA-N 2 0 293.411 -0.004 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001277959942 828222735 /nfs/dbraw/zinc/22/27/35/828222735.db2.gz DETKVXCQMXFOPY-UPJWGTAASA-N 2 0 257.378 -0.686 20 0 CBADRP C[NH+](C)CCCCC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001277980025 828224937 /nfs/dbraw/zinc/22/49/37/828224937.db2.gz CQXJYFZLLZVBIW-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP C[NH+](C)CCN1CC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001277981524 828226982 /nfs/dbraw/zinc/22/69/82/828226982.db2.gz KUPFKDFHPVRNFM-UHFFFAOYSA-N 2 0 254.378 -0.569 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCCO)C1 ZINC001277997670 828228358 /nfs/dbraw/zinc/22/83/58/828228358.db2.gz QAZYITQWXNUHMV-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H](CO)C[N@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001277998626 828229475 /nfs/dbraw/zinc/22/94/75/828229475.db2.gz NZKWUFCLIUZNHK-MELADBBJSA-N 2 0 271.405 -0.439 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001278027316 828231591 /nfs/dbraw/zinc/23/15/91/828231591.db2.gz CFSTYFRAKHTXIR-STQMWFEESA-N 2 0 268.405 -0.167 20 0 CBADRP C[NH+](C)CCCN1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001278056981 828240119 /nfs/dbraw/zinc/24/01/19/828240119.db2.gz GLUJLHHICMSUME-GASCZTMLSA-N 2 0 284.448 -0.115 20 0 CBADRP CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001278077309 828242790 /nfs/dbraw/zinc/24/27/90/828242790.db2.gz IFWIYAYRYQOYGZ-NEPJUHHUSA-N 2 0 257.378 -0.054 20 0 CBADRP CC(C)[NH2+][C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001278093809 828245580 /nfs/dbraw/zinc/24/55/80/828245580.db2.gz RGCFLMPKJSEDIB-LLVKDONJSA-N 2 0 257.378 -0.054 20 0 CBADRP CC[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001278100629 828247277 /nfs/dbraw/zinc/24/72/77/828247277.db2.gz ZOHFOJFVWGOLDP-GFCCVEGCSA-N 2 0 269.389 -0.051 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@@H](CO)[NH2+]CC2CC2)CC1 ZINC001278139708 828251102 /nfs/dbraw/zinc/25/11/02/828251102.db2.gz VQYRBZLTSOQDFS-LBPRGKRZSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]CCF)C1 ZINC001278155294 828253025 /nfs/dbraw/zinc/25/30/25/828253025.db2.gz OXRYGKLXFYZOEW-GHMZBOCLSA-N 2 0 261.341 -0.636 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CCF)CC1 ZINC001278148366 828253353 /nfs/dbraw/zinc/25/33/53/828253353.db2.gz SYLCLZVEWULFKP-NSHDSACASA-N 2 0 261.341 -0.636 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]CCF)C1 ZINC001278155297 828253396 /nfs/dbraw/zinc/25/33/96/828253396.db2.gz OXRYGKLXFYZOEW-QWRGUYRKSA-N 2 0 261.341 -0.636 20 0 CBADRP C[C@H](O)CCC[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001278178623 828255203 /nfs/dbraw/zinc/25/52/03/828255203.db2.gz JWFZQXCXUYNYKE-STQMWFEESA-N 2 0 299.415 -0.690 20 0 CBADRP C[C@H](O)CCC[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001278178622 828255856 /nfs/dbraw/zinc/25/58/56/828255856.db2.gz JWFZQXCXUYNYKE-QWHCGFSZSA-N 2 0 299.415 -0.690 20 0 CBADRP COCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001278755366 828282470 /nfs/dbraw/zinc/28/24/70/828282470.db2.gz FNQPRKTUXYFFJY-KBPBESRZSA-N 2 0 299.415 -0.617 20 0 CBADRP COCCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001278766726 828285849 /nfs/dbraw/zinc/28/58/49/828285849.db2.gz MJNICGMCVOKHTG-ZFWWWQNUSA-N 2 0 299.415 -0.330 20 0 CBADRP NC(=O)CN1CCC[C@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC001349471051 890821383 /nfs/dbraw/zinc/82/13/83/890821383.db2.gz AMJJKPAPWWCCLX-JTQLQIEISA-N 2 0 268.361 -0.819 20 0 CBADRP CC1(C)[C@H](NC(=O)COCC[NH3+])[C@@H]2CCC[NH2+][C@H]21 ZINC001349841892 890904749 /nfs/dbraw/zinc/90/47/49/890904749.db2.gz ZLPPPTDJFBGGDW-YUSALJHKSA-N 2 0 255.362 -0.146 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)=NO1 ZINC001351164435 891113985 /nfs/dbraw/zinc/11/39/85/891113985.db2.gz YEVUOGNIBKNGGI-HOTUBEGUSA-N 2 0 252.318 -0.570 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001187321520 884718571 /nfs/dbraw/zinc/71/85/71/884718571.db2.gz BXRUCPKRPVEOJS-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)NCC[NH2+]C2CC2)nn1 ZINC001326047281 884886876 /nfs/dbraw/zinc/88/68/76/884886876.db2.gz LJCQZYUJAPDNDG-UHFFFAOYSA-N 2 0 266.349 -0.501 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2CCC[NH2+]CC2)nn1 ZINC001326077318 884899379 /nfs/dbraw/zinc/89/93/79/884899379.db2.gz KXKLAKNHYJVRTQ-UHFFFAOYSA-N 2 0 266.349 -0.548 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC[C@H](C)[NH2+]C ZINC001326145791 884919768 /nfs/dbraw/zinc/91/97/68/884919768.db2.gz ASPHOZXHOWWPIV-RYUDHWBXSA-N 2 0 286.420 -0.053 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC001326149194 884923140 /nfs/dbraw/zinc/92/31/40/884923140.db2.gz FPQUJTMSBHMAEK-BDAKNGLRSA-N 2 0 254.338 -0.518 20 0 CBADRP C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)[C@H]1CC[NH2+]C1 ZINC001326311200 884983942 /nfs/dbraw/zinc/98/39/42/884983942.db2.gz QHKHKBLPDMAAIL-KGLIPLIRSA-N 3 0 252.406 -0.035 20 0 CBADRP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CC[NH2+]CC1 ZINC001326270364 884965453 /nfs/dbraw/zinc/96/54/53/884965453.db2.gz MQITXALBYFKYQM-SNVBAGLBSA-N 2 0 264.333 -0.752 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)C2([NH3+])CC2)CC1 ZINC001326372962 885006908 /nfs/dbraw/zinc/00/69/08/885006908.db2.gz TVXFBTPTVXXACF-UHFFFAOYSA-N 2 0 254.378 -0.379 20 0 CBADRP CCOC(=O)[C@H]1C[NH2+]CCN1CC[C@H]1CC[NH2+]C1 ZINC001327087982 885251024 /nfs/dbraw/zinc/25/10/24/885251024.db2.gz WAMSUYUGZPRFAQ-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NCCC2(C[NH3+])CC2)nn1 ZINC001327448040 885357892 /nfs/dbraw/zinc/35/78/92/885357892.db2.gz BFRDMWCJXNKWAF-UHFFFAOYSA-N 2 0 266.349 -0.514 20 0 CBADRP CC[C@]1(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC[NH2+]C1 ZINC001328236112 885609194 /nfs/dbraw/zinc/60/91/94/885609194.db2.gz MSGMNFFJSYQNKX-WZRBSPASSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]Cc1ccccc1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC001328438389 885686508 /nfs/dbraw/zinc/68/65/08/885686508.db2.gz WVOHTNVYZURUMY-NSHDSACASA-N 2 0 262.313 -0.135 20 0 CBADRP O=C(CN1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC001329317507 886014900 /nfs/dbraw/zinc/01/49/00/886014900.db2.gz ZTIRASILTNSJES-CHWSQXEVSA-N 2 0 266.389 -0.508 20 0 CBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(O)(C[NH3+])CC1 ZINC001329389480 886044290 /nfs/dbraw/zinc/04/42/90/886044290.db2.gz SJYGPQFLPNPNOG-GHMZBOCLSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1CC(=O)N1CC[NH2+]CC1 ZINC001329497885 886096760 /nfs/dbraw/zinc/09/67/60/886096760.db2.gz AAEHZBAUTDLCJD-VXGBXAGGSA-N 2 0 254.378 -0.557 20 0 CBADRP [NH3+]CCOCC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001329564199 886125317 /nfs/dbraw/zinc/12/53/17/886125317.db2.gz JEEOQQAPWFQEHF-ZDUSSCGKSA-N 2 0 285.388 -0.279 20 0 CBADRP C[C@H](NC(=O)[C@@H](N)CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001329757841 886199126 /nfs/dbraw/zinc/19/91/26/886199126.db2.gz CMLSGWFCEODZCG-SRVKXCTJSA-N 2 0 256.394 -0.230 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001329946891 886293276 /nfs/dbraw/zinc/29/32/76/886293276.db2.gz ZRJLDEGJPKOLCN-LBPRGKRZSA-N 2 0 282.388 -0.510 20 0 CBADRP C[C@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)[NH+](C)C ZINC001330262347 886405687 /nfs/dbraw/zinc/40/56/87/886405687.db2.gz UXUPACPPPXVRFI-GFCCVEGCSA-N 2 0 268.405 -0.358 20 0 CBADRP [NH3+]CCOCC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001331067190 886666008 /nfs/dbraw/zinc/66/60/08/886666008.db2.gz PHWCVRZZEOJSSI-NSHDSACASA-N 2 0 271.361 -0.763 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC001331320874 886777376 /nfs/dbraw/zinc/77/73/76/886777376.db2.gz ZENQBAOPNFCMTI-JTQLQIEISA-N 2 0 258.366 -0.750 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC001331705305 886921867 /nfs/dbraw/zinc/92/18/67/886921867.db2.gz FYUJMUSTIRQBGE-NWDGAFQWSA-N 2 0 282.388 -0.654 20 0 CBADRP CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001331741225 886948085 /nfs/dbraw/zinc/94/80/85/886948085.db2.gz UEOPAYIRNDQOCE-RYUDHWBXSA-N 2 0 257.378 -0.053 20 0 CBADRP [NH3+]C[C@@H]1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC001331980654 887075460 /nfs/dbraw/zinc/07/54/60/887075460.db2.gz JJROUUSZUSRVHW-NWDGAFQWSA-N 2 0 264.377 -0.017 20 0 CBADRP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001332605751 887371044 /nfs/dbraw/zinc/37/10/44/887371044.db2.gz LGXAYFUKJXVDLD-LBPRGKRZSA-N 2 0 257.378 -0.101 20 0 CBADRP [NH3+]CCCOC1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC001332816906 887437211 /nfs/dbraw/zinc/43/72/11/887437211.db2.gz YWHBGGZZLWNADG-DRZSPHRISA-N 3 0 257.378 -0.333 20 0 CBADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](CO)C2)CC1 ZINC001333018862 887506610 /nfs/dbraw/zinc/50/66/10/887506610.db2.gz HARQQJQPUSQNQE-NSHDSACASA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC001333178661 887551727 /nfs/dbraw/zinc/55/17/27/887551727.db2.gz ODKKCUZHYKNDFF-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP CCC[NH2+]CCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001333336542 887602960 /nfs/dbraw/zinc/60/29/60/887602960.db2.gz ORIPQBZWIJHPGA-SFHVURJKSA-N 2 0 275.418 -0.397 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001333294427 887586054 /nfs/dbraw/zinc/58/60/54/887586054.db2.gz WKUVTLIHZWXDLQ-GXTWGEPZSA-N 2 0 268.405 -0.133 20 0 CBADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC001333548014 887687604 /nfs/dbraw/zinc/68/76/04/887687604.db2.gz KTUZIIWFZGJFTK-WOPDTQHZSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC001333627006 887722110 /nfs/dbraw/zinc/72/21/10/887722110.db2.gz UYTZKKYQGDAYKH-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001333625133 887723938 /nfs/dbraw/zinc/72/39/38/887723938.db2.gz IUFREGLRPGZOCN-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP [NH3+]C1(CNC(=O)NCCCCCN2CC[NH2+]CC2)CC1 ZINC001335628543 888589314 /nfs/dbraw/zinc/58/93/14/888589314.db2.gz IUMQQDBJFFJZHM-UHFFFAOYSA-N 2 0 283.420 -0.148 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N2CC[NH2+]CC2)CC1 ZINC001335646172 888591950 /nfs/dbraw/zinc/59/19/50/888591950.db2.gz MPILIOHWXBGARI-UHFFFAOYSA-N 2 0 255.366 -0.976 20 0 CBADRP C[C@H](NC[C@H](O)C[N@H+](C)C1CC1)[C@@H]1C[NH+](C)CCN1C ZINC001335987635 888666404 /nfs/dbraw/zinc/66/64/04/888666404.db2.gz SMRHBRYMGKEFGL-QEJZJMRPSA-N 2 0 284.448 -0.335 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001336241075 888726285 /nfs/dbraw/zinc/72/62/85/888726285.db2.gz PKLJVTNSQYPLGV-NOOOWODRSA-N 2 0 268.361 -0.443 20 0 CBADRP CC[NH+]1CCN([C@H](C)C[NH2+]CCC(=O)NC(N)=O)CC1 ZINC001336732962 888858193 /nfs/dbraw/zinc/85/81/93/888858193.db2.gz IXURHOQJOVDCBV-LLVKDONJSA-N 2 0 285.392 -0.813 20 0 CBADRP [NH3+][C@H]1CC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001336741962 888865443 /nfs/dbraw/zinc/86/54/43/888865443.db2.gz KQDBOJXBQZMGFZ-DCAQKATOSA-N 2 0 268.361 -0.759 20 0 CBADRP C[C@@H](NC(=O)N(C)C1(C[NH3+])CCOCC1)[C@H](C)[NH3+] ZINC001336920122 888922079 /nfs/dbraw/zinc/92/20/79/888922079.db2.gz AZZSPZMEYYSNAE-VHSXEESVSA-N 2 0 258.366 -0.129 20 0 CBADRP [NH3+]CCCNC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001338627732 889184344 /nfs/dbraw/zinc/18/43/44/889184344.db2.gz XXFXXWWLQSAZOM-RNFRBKRXSA-N 2 0 254.256 -0.134 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[NH2+]C[C@H]1CCOC ZINC001338642979 889185701 /nfs/dbraw/zinc/18/57/01/889185701.db2.gz DLRRDQXMUYMTEF-GFCCVEGCSA-N 2 0 288.392 -0.758 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[C@@]12CC[NH2+]C2 ZINC001338660183 889188410 /nfs/dbraw/zinc/18/84/10/889188410.db2.gz MMVGWNFRCXQMJV-YPMHNXCESA-N 2 0 268.361 -0.488 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC001338766036 889201984 /nfs/dbraw/zinc/20/19/84/889201984.db2.gz MJCLYZAKRQHEHS-GMTAPVOTSA-N 2 0 256.350 -0.911 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001340042340 889367942 /nfs/dbraw/zinc/36/79/42/889367942.db2.gz VXTBCAVBWPBVPW-AAEUAGOBSA-N 2 0 287.404 -0.834 20 0 CBADRP [NH3+]CCNCC(=O)N(CC[NH3+])Cc1ccccc1 ZINC001340131347 889390720 /nfs/dbraw/zinc/39/07/20/889390720.db2.gz BQGYMKKOMWSKKT-UHFFFAOYSA-N 2 0 250.346 -0.478 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001340147721 889395047 /nfs/dbraw/zinc/39/50/47/889395047.db2.gz NFNWWEAIWIRQLB-BZPMIXESSA-N 2 0 267.373 -0.129 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)C[N@@H+]1C1CC1 ZINC001340242653 889414383 /nfs/dbraw/zinc/41/43/83/889414383.db2.gz VIZUEEFQSSZUJX-FXPVBKGRSA-N 2 0 255.362 -0.174 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001340364532 889428244 /nfs/dbraw/zinc/42/82/44/889428244.db2.gz JOQGLXZLUAGVAO-VWYCJHECSA-N 2 0 267.373 -0.003 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)CC(C)(C)[NH3+] ZINC001340596154 889451177 /nfs/dbraw/zinc/45/11/77/889451177.db2.gz POYQTZPOSGDJAH-MNOVXSKESA-N 2 0 254.378 -0.430 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001340749199 889480057 /nfs/dbraw/zinc/48/00/57/889480057.db2.gz RZSYSCCYMPCPKM-OPRDCNLKSA-N 2 0 252.318 -0.448 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001340907477 889508752 /nfs/dbraw/zinc/50/87/52/889508752.db2.gz QTTSIBXZPFYAPN-WCQYABFASA-N 2 0 269.389 -0.114 20 0 CBADRP C[C@@]1(C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@H](O)C[NH2+]1 ZINC001340906212 889508792 /nfs/dbraw/zinc/50/87/92/889508792.db2.gz MIONXARQSHPGRA-DRZSPHRISA-N 2 0 255.362 -0.395 20 0 CBADRP CC(C)[C@H]1CN(C(=O)C2(C[NH3+])CC(O)C2)CC[NH2+]1 ZINC001340917316 889514009 /nfs/dbraw/zinc/51/40/09/889514009.db2.gz ZSEUUJGBAGJRAE-QWKFWESOSA-N 2 0 255.362 -0.457 20 0 CBADRP CNC(=O)CC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001340940755 889515760 /nfs/dbraw/zinc/51/57/60/889515760.db2.gz VHWHCNBFDFOTPL-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP CN(C(=O)C1=NOC2(C1)CC[NH2+]CC2)C1CC([NH3+])C1 ZINC001340935950 889515997 /nfs/dbraw/zinc/51/59/97/889515997.db2.gz LINXUMLVHVWRGR-UHFFFAOYSA-N 2 0 266.345 -0.167 20 0 CBADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C[C@H](O)C[NH3+])C1 ZINC001340916419 889512227 /nfs/dbraw/zinc/51/22/27/889512227.db2.gz KOQVMEYHGNXJPV-GWCFXTLKSA-N 2 0 257.378 -0.080 20 0 CBADRP C[C@@H]1[NH2+]CCn2c(C(=O)NC[C@@H](O)C[NH3+])ccc21 ZINC001341382575 889587019 /nfs/dbraw/zinc/58/70/19/889587019.db2.gz IIOXSKRQGXXCFW-IUCAKERBSA-N 2 0 252.318 -0.798 20 0 CBADRP C[NH2+]C1CC(C(=O)N2CC[NH2+]C[C@H]2CCOC)C1 ZINC001341464132 889601229 /nfs/dbraw/zinc/60/12/29/889601229.db2.gz GQKUETPWJKZPGZ-HTAVTVPLSA-N 2 0 255.362 -0.179 20 0 CBADRP C[NH+](C)CCCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001341515704 889612780 /nfs/dbraw/zinc/61/27/80/889612780.db2.gz NOXCVXVNMXHNOR-LLVKDONJSA-N 2 0 270.377 -0.748 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001341572408 889626615 /nfs/dbraw/zinc/62/66/15/889626615.db2.gz DSAHRXQQOSBDIC-FVCCEPFGSA-N 2 0 267.373 -0.321 20 0 CBADRP C[C@H](CC(=O)N1CC[NH2+]C[C@H]1CO)[C@H]1CCC[NH2+]C1 ZINC001341579938 889626635 /nfs/dbraw/zinc/62/66/35/889626635.db2.gz MKPQRCQSOXZCLL-AGIUHOORSA-N 2 0 269.389 -0.195 20 0 CBADRP COC[C@H]([NH3+])C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001341627512 889633768 /nfs/dbraw/zinc/63/37/68/889633768.db2.gz QAKUODXSBHQDPS-LBPRGKRZSA-N 2 0 272.393 -0.896 20 0 CBADRP C[C@H](CNC(=O)C12CC(C1)C[NH2+]2)N1CC[NH+](C)CC1 ZINC001341626577 889634479 /nfs/dbraw/zinc/63/44/79/889634479.db2.gz IDPIBZJZYOPLMD-LKSINWNRSA-N 2 0 266.389 -0.510 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC001341626224 889635415 /nfs/dbraw/zinc/63/54/15/889635415.db2.gz DQTHPEKKQNQTBJ-KQXIARHKSA-N 2 0 269.389 -0.056 20 0 CBADRP CCN1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC001341675285 889645233 /nfs/dbraw/zinc/64/52/33/889645233.db2.gz KDMLXWDHXRMUIY-SCRDCRAPSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH2+][C@@H](C)C1 ZINC001341764571 889660243 /nfs/dbraw/zinc/66/02/43/889660243.db2.gz INEOSWXDIPMXHN-QJPTWQEYSA-N 2 0 252.362 -0.805 20 0 CBADRP C[NH+]1CCC(OCC(=O)NCC2C[NH+](CCO)C2)CC1 ZINC001443623649 912247400 /nfs/dbraw/zinc/24/74/00/912247400.db2.gz OMDGLNGAYRJRCZ-UHFFFAOYSA-N 2 0 285.388 -0.863 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001341839837 889671996 /nfs/dbraw/zinc/67/19/96/889671996.db2.gz TYHKUPNEBIKDJS-GHMZBOCLSA-N 2 0 255.362 -0.062 20 0 CBADRP C[C@@H](NC(=O)C[NH2+]CC1CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001342036618 889703438 /nfs/dbraw/zinc/70/34/38/889703438.db2.gz QSKUNWDYAVLHDO-YPMHNXCESA-N 2 0 268.405 -0.264 20 0 CBADRP CCN(C(=O)[C@@H](N)CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001342171473 889723356 /nfs/dbraw/zinc/72/33/56/889723356.db2.gz GJAUDDSARWPIKH-NEPJUHHUSA-N 2 0 256.394 -0.134 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001342251622 889739489 /nfs/dbraw/zinc/73/94/89/889739489.db2.gz SGWRVCQNYKJODN-YNEHKIRRSA-N 2 0 268.405 -0.136 20 0 CBADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(N)=O ZINC001443914121 912301361 /nfs/dbraw/zinc/30/13/61/912301361.db2.gz HCRRQXQXBQOGFD-GMTAPVOTSA-N 2 0 270.377 -0.704 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC001342350889 889759725 /nfs/dbraw/zinc/75/97/25/889759725.db2.gz VPGGJYFOZDGXER-DMDPSCGWSA-N 2 0 257.378 -0.067 20 0 CBADRP CC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC(N)=O ZINC001444013699 912324399 /nfs/dbraw/zinc/32/43/99/912324399.db2.gz PENYOVSIHMBQPO-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC001342572020 889796527 /nfs/dbraw/zinc/79/65/27/889796527.db2.gz HNYBOOWRBVHTQZ-KWBADKCTSA-N 2 0 255.362 -0.051 20 0 CBADRP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)N(C)C ZINC001444035963 912333747 /nfs/dbraw/zinc/33/37/47/912333747.db2.gz NOYMRKWDMRVJAL-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC001342635556 889807924 /nfs/dbraw/zinc/80/79/24/889807924.db2.gz UHRJQBSKRFUIEU-WCQYABFASA-N 2 0 255.362 -0.061 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001342845078 889836464 /nfs/dbraw/zinc/83/64/64/889836464.db2.gz QYAGTYIXSWSECW-WCQYABFASA-N 2 0 253.346 -0.281 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001342959164 889847237 /nfs/dbraw/zinc/84/72/37/889847237.db2.gz JFGMAHFJVLGCJT-WOPDTQHZSA-N 2 0 257.378 -0.149 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001342994119 889851353 /nfs/dbraw/zinc/85/13/53/889851353.db2.gz LUGYUBLNTBPOLH-CIQGVGRVSA-N 2 0 269.389 -0.387 20 0 CBADRP CCCN(C(=O)[C@H](C)[C@H](O)C[NH2+]C)[C@@H]1CC[NH2+]C1 ZINC001343039182 889859788 /nfs/dbraw/zinc/85/97/88/889859788.db2.gz WOGKRACCQNYSRW-IJLUTSLNSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@H](CNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2)[NH+](C)C ZINC001343393190 889899773 /nfs/dbraw/zinc/89/97/73/889899773.db2.gz FMULMOOUBYEORF-MFKMUULPSA-N 2 0 268.361 -0.049 20 0 CBADRP COC[C@H]([NH3+])C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC001343467968 889915488 /nfs/dbraw/zinc/91/54/88/889915488.db2.gz QHVOFSNWWWXYDM-NSHDSACASA-N 2 0 267.333 -0.280 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001343474314 889916385 /nfs/dbraw/zinc/91/63/85/889916385.db2.gz VGAGYAFVZJWHRT-OLZOCXBDSA-N 2 0 285.388 -0.720 20 0 CBADRP [NH3+]C1(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CCC1 ZINC001343566780 889930966 /nfs/dbraw/zinc/93/09/66/889930966.db2.gz KJVVAMBXEBWABR-NEPJUHHUSA-N 2 0 267.373 -0.075 20 0 CBADRP [NH3+]C1(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CCC1 ZINC001343566781 889932511 /nfs/dbraw/zinc/93/25/11/889932511.db2.gz KJVVAMBXEBWABR-NWDGAFQWSA-N 2 0 267.373 -0.075 20 0 CBADRP C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@H]1C[N@H+](C)CCN1C ZINC001343581621 889936407 /nfs/dbraw/zinc/93/64/07/889936407.db2.gz CPMIKFJCWBRHLM-FRRDWIJNSA-N 2 0 268.405 -0.264 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)NC)CC[N@@H+]1C ZINC001444315350 912424567 /nfs/dbraw/zinc/42/45/67/912424567.db2.gz YOTRBHCQCVTHJM-FRRDWIJNSA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]CC(N)=O ZINC001444390572 912438594 /nfs/dbraw/zinc/43/85/94/912438594.db2.gz OBIKYOZTUKFYHY-SNVBAGLBSA-N 2 0 270.377 -0.845 20 0 CBADRP CCN1CC[C@H]([NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001444377648 912439484 /nfs/dbraw/zinc/43/94/84/912439484.db2.gz GYCODDGWCYJVJI-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001444389446 912440462 /nfs/dbraw/zinc/44/04/62/912440462.db2.gz NDWLXSFXIYGGCP-NSHDSACASA-N 2 0 282.388 -0.830 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)C[C@H]1C[NH3+] ZINC001343932762 889981960 /nfs/dbraw/zinc/98/19/60/889981960.db2.gz MAVKFMGTWMGPHW-BYNQJWBRSA-N 2 0 267.373 -0.049 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001444429448 912448226 /nfs/dbraw/zinc/44/82/26/912448226.db2.gz CKUOPZFWTWDKNA-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001444601294 912477887 /nfs/dbraw/zinc/47/78/87/912477887.db2.gz XENMRCMUSCPATB-HBNTYKKESA-N 2 0 270.377 -0.752 20 0 CBADRP [NH3+]CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001344679444 890052104 /nfs/dbraw/zinc/05/21/04/890052104.db2.gz NTCHGRAFSHHGPY-BETUJISGSA-N 3 0 266.389 -0.238 20 0 CBADRP [NH3+]CCNCC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001344730949 890054462 /nfs/dbraw/zinc/05/44/62/890054462.db2.gz JEYOJZPEKCIFRY-JGVFFNPUSA-N 2 0 268.283 -0.727 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001444638301 912485237 /nfs/dbraw/zinc/48/52/37/912485237.db2.gz RVVVCHSKLNQHQB-SNVBAGLBSA-N 2 0 270.377 -0.608 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001444675176 912488140 /nfs/dbraw/zinc/48/81/40/912488140.db2.gz WZCVODXNQTWFSP-GFCCVEGCSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001444681026 912490451 /nfs/dbraw/zinc/49/04/51/912490451.db2.gz UNBPQDPPDPJEOS-NWDGAFQWSA-N 2 0 296.415 -0.347 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C2=CCC[NH2+]CC2)C1 ZINC001344990310 890091397 /nfs/dbraw/zinc/09/13/97/890091397.db2.gz YQFSQUYHPGOQFI-ZDUSSCGKSA-N 2 0 253.346 -0.392 20 0 CBADRP C[NH2+][C@H]1CCN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001345944731 890184898 /nfs/dbraw/zinc/18/48/98/890184898.db2.gz VDEHKEYTXSFFJP-RYUDHWBXSA-N 2 0 254.378 -0.523 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001445112735 912562610 /nfs/dbraw/zinc/56/26/10/912562610.db2.gz NZPDPUBPPAQNJI-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001445112738 912561726 /nfs/dbraw/zinc/56/17/26/912561726.db2.gz NZPDPUBPPAQNJI-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[N@@H+]1C[C@@]23CN(C(=O)[C@H]([NH3+])CO)C[C@]2(C1)CCCC3 ZINC001346174639 890229755 /nfs/dbraw/zinc/22/97/55/890229755.db2.gz TXOQNQCARDYROR-BNOWGMLFSA-N 2 0 267.373 -0.360 20 0 CBADRP Cn1cncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001445144624 912577568 /nfs/dbraw/zinc/57/75/68/912577568.db2.gz BFXJNEVSSUZXSQ-STQMWFEESA-N 2 0 295.387 -0.919 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC001346317644 890267095 /nfs/dbraw/zinc/26/70/95/890267095.db2.gz AKMHQVGGMFHRKV-QWHCGFSZSA-N 2 0 268.405 -0.262 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@@H](O)C[NH2+]C[C@@H]2CCOC2)CC1 ZINC001445227924 912606859 /nfs/dbraw/zinc/60/68/59/912606859.db2.gz FMHZLPDMLKBZSS-STQMWFEESA-N 2 0 299.415 -0.569 20 0 CBADRP C[C@H]1C[C@H](NC(=O)N2CCNCC[NH2+]CC2)CC[NH2+]1 ZINC001346490634 890305834 /nfs/dbraw/zinc/30/58/34/890305834.db2.gz OVYNYQKDWNIYPL-NWDGAFQWSA-N 2 0 269.393 -0.669 20 0 CBADRP Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001445268564 912622295 /nfs/dbraw/zinc/62/22/95/912622295.db2.gz JFKBJTBNWXAHJT-VXGBXAGGSA-N 2 0 296.371 -0.499 20 0 CBADRP CC[C@@H]([NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001445321943 912634854 /nfs/dbraw/zinc/63/48/54/912634854.db2.gz LTUYRXNXNWJSGK-NWDGAFQWSA-N 2 0 296.415 -0.170 20 0 CBADRP CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)C[N@H+](C)C(C)C ZINC001445335950 912637173 /nfs/dbraw/zinc/63/71/73/912637173.db2.gz WBCMIYOFPWRYCQ-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001445332746 912638459 /nfs/dbraw/zinc/63/84/59/912638459.db2.gz YQINNISRVVIZIM-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP [NH3+]CC[C@H]1CCCN(C(=O)c2cn(CC[NH3+])nn2)C1 ZINC001347147662 890415433 /nfs/dbraw/zinc/41/54/33/890415433.db2.gz HPMUVZIVUYJZML-SNVBAGLBSA-N 2 0 266.349 -0.562 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001445544262 912690865 /nfs/dbraw/zinc/69/08/65/912690865.db2.gz CZTMLZPZMRNPPC-DMDPSCGWSA-N 2 0 294.403 -0.250 20 0 CBADRP CC[C@@H]([NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001445588313 912705948 /nfs/dbraw/zinc/70/59/48/912705948.db2.gz HMEKSSANCYPUPN-TUAOUCFPSA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001445610439 912712907 /nfs/dbraw/zinc/71/29/07/912712907.db2.gz VEZPMEJQOCEJBP-YNEHKIRRSA-N 2 0 298.431 -0.102 20 0 CBADRP CC[C@@H]([NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C)C(N)=O ZINC001445655348 912729073 /nfs/dbraw/zinc/72/90/73/912729073.db2.gz KABDDUUQZLDKBH-WDEREUQCSA-N 2 0 272.393 -0.315 20 0 CBADRP C[NH+](C)CCC(=O)NCC1([NH2+]CC(=O)N2CCC2)CC1 ZINC001446229749 912844326 /nfs/dbraw/zinc/84/43/26/912844326.db2.gz PNRDCFZALCZSDY-UHFFFAOYSA-N 2 0 282.388 -0.591 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152426162 884676784 /nfs/dbraw/zinc/67/67/84/884676784.db2.gz DXWKXDDIHCCRHY-NSHDSACASA-N 2 0 261.366 -0.960 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N(C)C ZINC001152426317 884676771 /nfs/dbraw/zinc/67/67/71/884676771.db2.gz FZUJAYPIVMOFQY-UHFFFAOYSA-N 2 0 258.366 -0.879 20 0 CBADRP CN(C)C(=O)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001446264408 912851871 /nfs/dbraw/zinc/85/18/71/912851871.db2.gz FDAHEFPVOIFRNN-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176565785 884704237 /nfs/dbraw/zinc/70/42/37/884704237.db2.gz XHVZGVHOVWNKML-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001187321489 884718494 /nfs/dbraw/zinc/71/84/94/884718494.db2.gz AKVYMWICLFDMPP-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1)C(N)=O ZINC001188158543 884721856 /nfs/dbraw/zinc/72/18/56/884721856.db2.gz SNDLVJQGMIDWND-NEPJUHHUSA-N 2 0 284.404 -0.219 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001200806460 884742388 /nfs/dbraw/zinc/74/23/88/884742388.db2.gz QVHOAWJGNQBYFZ-KBPBESRZSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC)C[C@H]1C ZINC001210041058 884759473 /nfs/dbraw/zinc/75/94/73/884759473.db2.gz OVYFVLSJQLXTKW-JHJVBQTASA-N 2 0 298.431 -0.101 20 0 CBADRP CCOC(=O)[C@H]1C[NH2+]CCN1C[C@@H]1CCCC[NH2+]1 ZINC001211354848 884771652 /nfs/dbraw/zinc/77/16/52/884771652.db2.gz RJURMPWDFMKNDQ-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378378 884778544 /nfs/dbraw/zinc/77/85/44/884778544.db2.gz OKAZSZDRQZEGDB-JHJVBQTASA-N 2 0 287.404 -0.212 20 0 CBADRP O=c1c2c(ncn1C[C@H]1CCC[NH2+]C1)CC[NH2+]CC2 ZINC001326018553 884875578 /nfs/dbraw/zinc/87/55/78/884875578.db2.gz OMDFQSPCLVFGPY-NSHDSACASA-N 2 0 262.357 -0.069 20 0 CBADRP C[C@@H](O)C[NH2+]CCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001326135627 884919829 /nfs/dbraw/zinc/91/98/29/884919829.db2.gz XZBMZDOXGINPND-CHWSQXEVSA-N 2 0 287.404 -0.881 20 0 CBADRP C[NH2+]CCCN(C)C(=O)c1cn(CCC[NH3+])nn1 ZINC001326137361 884920416 /nfs/dbraw/zinc/92/04/16/884920416.db2.gz CDMKIBSBMZZPOJ-UHFFFAOYSA-N 2 0 254.338 -0.692 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC(C)(C)CO)CC1 ZINC001326198413 884937516 /nfs/dbraw/zinc/93/75/16/884937516.db2.gz CXMUHZXKVOZTTH-GFCCVEGCSA-N 2 0 259.394 -0.797 20 0 CBADRP CC[C@@H](CCO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001326200706 884943448 /nfs/dbraw/zinc/94/34/48/884943448.db2.gz PYOJNSVEOHRFSP-QWHCGFSZSA-N 2 0 259.394 -0.655 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001446420911 912880851 /nfs/dbraw/zinc/88/08/51/912880851.db2.gz PVVZWGVEIPNCES-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@]1(C2CC[NH+](CCOCC[NH3+])CC2)NC(=O)NC1=O ZINC001326278481 884967739 /nfs/dbraw/zinc/96/77/39/884967739.db2.gz XSYLRROQKNAIHI-CYBMUJFWSA-N 2 0 284.360 -0.728 20 0 CBADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)N1CC[NH2+]CC1 ZINC001326278084 884969047 /nfs/dbraw/zinc/96/90/47/884969047.db2.gz SGJNEJRCPPAZQW-UHFFFAOYSA-N 3 0 266.389 -0.506 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001326299667 884976761 /nfs/dbraw/zinc/97/67/61/884976761.db2.gz TXTGHVXYDFMMLS-VWYCJHECSA-N 2 0 269.345 -0.380 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001326316962 884984274 /nfs/dbraw/zinc/98/42/74/884984274.db2.gz JKUPMWHOMNBXTN-WCBMZHEXSA-N 2 0 252.322 -0.753 20 0 CBADRP [NH3+]C[C@@H]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC001326360698 885004406 /nfs/dbraw/zinc/00/44/06/885004406.db2.gz ABCNSBGSLXHLSN-UWVGGRQHSA-N 2 0 263.345 -0.093 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC001326375119 885010682 /nfs/dbraw/zinc/01/06/82/885010682.db2.gz GYUGMZTYYOAGSD-DTWKUNHWSA-N 2 0 263.345 -0.135 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001446458696 912888743 /nfs/dbraw/zinc/88/87/43/912888743.db2.gz GDYDTDDHLJZBMF-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH2+]C1CC[NH+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC001326503288 885048684 /nfs/dbraw/zinc/04/86/84/885048684.db2.gz QXQCUSMNNOMTEH-LBPRGKRZSA-N 2 0 268.405 -0.133 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCCN1CC(=O)N1CC[NH2+]CC1 ZINC001326583356 885075061 /nfs/dbraw/zinc/07/50/61/885075061.db2.gz ZHGGISLKGIMJHS-RYUDHWBXSA-N 2 0 254.378 -0.380 20 0 CBADRP CC[C@]1(C(=O)N(C)CCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC001326583034 885075116 /nfs/dbraw/zinc/07/51/16/885075116.db2.gz WEOJOEYGYNVFRL-AWEZNQCLSA-N 2 0 268.405 -0.260 20 0 CBADRP [NH3+]CCOCC[NH+]1CCC(N2CCNC2=O)CC1 ZINC001326596545 885081886 /nfs/dbraw/zinc/08/18/86/885081886.db2.gz WMPUJQCLRKOWOH-UHFFFAOYSA-N 2 0 256.350 -0.549 20 0 CBADRP COCC[NH+]1CCC(NC(=O)COCC[NH3+])CC1 ZINC001326784431 885144608 /nfs/dbraw/zinc/14/46/08/885144608.db2.gz ZXRJBSGXFNOGCT-UHFFFAOYSA-N 2 0 259.350 -0.811 20 0 CBADRP O=C(NCC1=CC[NH2+]CC1)c1cn(C2CC[NH2+]CC2)nn1 ZINC001326678035 885110393 /nfs/dbraw/zinc/11/03/93/885110393.db2.gz RTMLROBSRGKGAV-UHFFFAOYSA-N 2 0 290.371 -0.148 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCO)CCC1 ZINC001326798982 885153498 /nfs/dbraw/zinc/15/34/98/885153498.db2.gz QISUOEUWRCSFGQ-NSHDSACASA-N 2 0 255.362 -0.299 20 0 CBADRP [NH3+]CCOCC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001326798248 885153613 /nfs/dbraw/zinc/15/36/13/885153613.db2.gz VLWSEQZTMGDHCL-LBPRGKRZSA-N 2 0 285.388 -0.421 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCOCCO)CCC1 ZINC001326865460 885177385 /nfs/dbraw/zinc/17/73/85/885177385.db2.gz WUMJZWVFSMVXHV-CYBMUJFWSA-N 2 0 299.415 -0.282 20 0 CBADRP [NH3+]CCOCC(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC001326906014 885187739 /nfs/dbraw/zinc/18/77/39/885187739.db2.gz IWYFRIWOIVWMMF-YNEHKIRRSA-N 2 0 285.388 -0.151 20 0 CBADRP [NH3+]CCOCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC001326905961 885188330 /nfs/dbraw/zinc/18/83/30/885188330.db2.gz IWYFRIWOIVWMMF-XQQFMLRXSA-N 2 0 285.388 -0.151 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC001326906882 885188886 /nfs/dbraw/zinc/18/88/86/885188886.db2.gz ONQGGEKSMACTIL-GFCCVEGCSA-N 2 0 256.394 -0.277 20 0 CBADRP [NH3+][C@H](CC(F)F)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001326924171 885194274 /nfs/dbraw/zinc/19/42/74/885194274.db2.gz UKYRTXWNADNZPD-HTQZYQBOSA-N 2 0 251.277 -0.536 20 0 CBADRP COCC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001326990188 885213218 /nfs/dbraw/zinc/21/32/18/885213218.db2.gz YMJNGPMHKUCFSH-ZDUSSCGKSA-N 2 0 299.415 -0.066 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCO[C@H](C[NH2+]CCF)C1 ZINC001327062968 885240114 /nfs/dbraw/zinc/24/01/14/885240114.db2.gz FMQJZUSKDHFEIQ-GFCCVEGCSA-N 2 0 273.352 -0.131 20 0 CBADRP C[C@H]([NH3+])CNC(=O)CN(CC[NH3+])Cc1ccccc1 ZINC001327088783 885253537 /nfs/dbraw/zinc/25/35/37/885253537.db2.gz CFBQFIATUFCWMK-LBPRGKRZSA-N 2 0 264.373 -0.089 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001327105635 885255489 /nfs/dbraw/zinc/25/54/89/885255489.db2.gz VACRJGSWQBUPSU-HBNTYKKESA-N 2 0 251.334 -0.590 20 0 CBADRP NC(=O)CN1CCC[C@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC001327132162 885268719 /nfs/dbraw/zinc/26/87/19/885268719.db2.gz XMGQBKHRFMGHAV-NSHDSACASA-N 2 0 268.361 -0.806 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)COCC[NH3+])CC1 ZINC001327180506 885276063 /nfs/dbraw/zinc/27/60/63/885276063.db2.gz IBQBNJFOCDTSGY-UHFFFAOYSA-N 2 0 272.393 -0.895 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC001327448219 885357228 /nfs/dbraw/zinc/35/72/28/885357228.db2.gz DMHRBBNSQPKRER-WDEREUQCSA-N 2 0 256.394 -0.230 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001327579351 885413081 /nfs/dbraw/zinc/41/30/81/885413081.db2.gz SIVUUOTTXINBKF-RYUDHWBXSA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC001327578690 885413857 /nfs/dbraw/zinc/41/38/57/885413857.db2.gz KQPUJNHFHXZOED-VWYCJHECSA-N 2 0 253.346 -0.392 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001327595700 885423870 /nfs/dbraw/zinc/42/38/70/885423870.db2.gz AVLZCGFLKNNZOO-IUCAKERBSA-N 2 0 251.334 -0.189 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC001327614675 885429770 /nfs/dbraw/zinc/42/97/70/885429770.db2.gz WPMHXXAANIBWCP-UHFFFAOYSA-N 2 0 267.373 -0.027 20 0 CBADRP C(N1CC[C@@H](N2CC[NH2+]CC2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC001327642420 885440300 /nfs/dbraw/zinc/44/03/00/885440300.db2.gz IFKANRIEQBTHHQ-MCIONIFRSA-N 3 0 250.390 -0.425 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC001327829914 885489596 /nfs/dbraw/zinc/48/95/96/885489596.db2.gz OUUVQCNOHDALLQ-DCAQKATOSA-N 2 0 268.361 -0.937 20 0 CBADRP C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])C1=CC[N@H+](C)CC1 ZINC001327834448 885493005 /nfs/dbraw/zinc/49/30/05/885493005.db2.gz KORJQPGIDPCIDR-LLVKDONJSA-N 2 0 282.388 -0.440 20 0 CBADRP O=C(NC1CC[NH2+]CC1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001327918973 885527026 /nfs/dbraw/zinc/52/70/26/885527026.db2.gz RNMGNVDWXFOUSG-VIFPVBQESA-N 2 0 263.345 -0.032 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)=NO1 ZINC001327929530 885531444 /nfs/dbraw/zinc/53/14/44/885531444.db2.gz REDWYWYOEQLLMG-HTRCEHHLSA-N 2 0 262.260 -0.797 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)=NO1 ZINC001327929531 885532548 /nfs/dbraw/zinc/53/25/48/885532548.db2.gz REDWYWYOEQLLMG-POYBYMJQSA-N 2 0 262.260 -0.797 20 0 CBADRP CCN1CC[NH+](CCCC[NH2+]CCC(N)=O)CC1 ZINC001327977523 885546224 /nfs/dbraw/zinc/54/62/24/885546224.db2.gz GXQCTKVXKKYCHU-UHFFFAOYSA-N 2 0 256.394 -0.131 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCCOC2)CC1 ZINC001327994016 885549158 /nfs/dbraw/zinc/54/91/58/885549158.db2.gz ZFSADXHSZRNGLE-CHWSQXEVSA-N 2 0 257.378 -0.637 20 0 CBADRP [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001328073134 885564867 /nfs/dbraw/zinc/56/48/67/885564867.db2.gz UXBSQYPLZMDDCA-QWRGUYRKSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+][C@H]1CCCC[C@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001328073133 885564955 /nfs/dbraw/zinc/56/49/55/885564955.db2.gz UXBSQYPLZMDDCA-MNOVXSKESA-N 2 0 253.346 -0.295 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001328340398 885643001 /nfs/dbraw/zinc/64/30/01/885643001.db2.gz ULWRPSPFJGLXIX-UWVGGRQHSA-N 2 0 264.333 -0.706 20 0 CBADRP CN(CC[NH3+])C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC001328340318 885643278 /nfs/dbraw/zinc/64/32/78/885643278.db2.gz RXSINZNPZSFUHF-NSHDSACASA-N 2 0 251.334 -0.162 20 0 CBADRP C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]CCO ZINC001328399428 885672690 /nfs/dbraw/zinc/67/26/90/885672690.db2.gz AOQLATXSLCWFJL-NSHDSACASA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@H](CCCCO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001328414084 885677932 /nfs/dbraw/zinc/67/79/32/885677932.db2.gz ZJYXRHHXULITMN-ZIAGYGMSSA-N 2 0 273.421 -0.265 20 0 CBADRP [NH3+]C[C@H]1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC001328435772 885684144 /nfs/dbraw/zinc/68/41/44/885684144.db2.gz DALUNHIABXBLAL-ZJUUUORDSA-N 2 0 263.345 -0.093 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC[C@H]1[NH3+] ZINC001328454804 885693720 /nfs/dbraw/zinc/69/37/20/885693720.db2.gz KUHMMZBCPMTUPH-KKOKHZNYSA-N 2 0 255.362 -0.064 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC[N@@H+]1C ZINC001328454283 885694179 /nfs/dbraw/zinc/69/41/79/885694179.db2.gz DXAWABSEIGFXCO-KKOKHZNYSA-N 2 0 255.362 -0.051 20 0 CBADRP COC1(C(=O)NCC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001328472773 885699431 /nfs/dbraw/zinc/69/94/31/885699431.db2.gz QXEBYFSQOPQVAJ-UHFFFAOYSA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC1C[NH2+]C1 ZINC001328732789 885795838 /nfs/dbraw/zinc/79/58/38/885795838.db2.gz NNFDDQSVODISFI-WDEREUQCSA-N 2 0 268.361 -0.937 20 0 CBADRP [NH3+]Cc1ccc(C(=O)NCCN2CC[NH2+]CC2)o1 ZINC001329299685 886003427 /nfs/dbraw/zinc/00/34/27/886003427.db2.gz MOLZZIOFKKVEOT-UHFFFAOYSA-N 2 0 252.318 -0.627 20 0 CBADRP [NH3+]CCSCc1cn(C[C@H]2C[NH2+]CCO2)nn1 ZINC001329314953 886010522 /nfs/dbraw/zinc/01/05/22/886010522.db2.gz AYJUBEZWCAEJMN-SNVBAGLBSA-N 2 0 257.363 -0.542 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2CCC[C@@H]([NH3+])C2)nn1 ZINC001329318290 886013146 /nfs/dbraw/zinc/01/31/46/886013146.db2.gz DASXEDMUAOAACT-SNVBAGLBSA-N 2 0 266.349 -0.420 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@]2(CO)CCC[NH+](CCCO)C2)C1 ZINC001447039234 913002419 /nfs/dbraw/zinc/00/24/19/913002419.db2.gz KFBIHJMAIIVDQI-ZFWWWQNUSA-N 2 0 299.415 -0.736 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCC2(CO)CC2)CC1 ZINC001329434648 886065779 /nfs/dbraw/zinc/06/57/79/886065779.db2.gz VKRSYVZTEUEXMW-CYBMUJFWSA-N 2 0 271.405 -0.653 20 0 CBADRP C[N@@H+]1CCN(CC(=O)N2CC[NH2+]CC2)C(C)(C)C1 ZINC001329540855 886115387 /nfs/dbraw/zinc/11/53/87/886115387.db2.gz QJZSPKYIFMTVKU-UHFFFAOYSA-N 2 0 254.378 -0.556 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)CNC(=O)C[NH3+] ZINC001329569945 886128424 /nfs/dbraw/zinc/12/84/24/886128424.db2.gz PUGMGCCYLMLIEU-ZJUUUORDSA-N 2 0 256.350 -0.950 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)C1 ZINC001329703288 886181907 /nfs/dbraw/zinc/18/19/07/886181907.db2.gz LKPIBIGJNIMQKF-ZDEQEGDKSA-N 2 0 294.399 -0.702 20 0 CBADRP C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)C1C[NH2+]C1 ZINC001329744089 886192975 /nfs/dbraw/zinc/19/29/75/886192975.db2.gz VTNAGQJKASVORD-SNVBAGLBSA-N 2 0 261.391 -0.391 20 0 CBADRP NC(=O)[C@@H]1CCCN1CCC[NH2+]C1CCN(C=O)CC1 ZINC001329746360 886193051 /nfs/dbraw/zinc/19/30/51/886193051.db2.gz TXYDMTMNXWSNFA-ZDUSSCGKSA-N 2 0 282.388 -0.463 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCN2CC[NH+](C)CC2)C1 ZINC001329757636 886199275 /nfs/dbraw/zinc/19/92/75/886199275.db2.gz GFTKFAZXTDVOQQ-ZDUSSCGKSA-N 2 0 268.405 -0.308 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001329822206 886227271 /nfs/dbraw/zinc/22/72/71/886227271.db2.gz MFVDEOQZOMOYPU-UHFFFAOYSA-N 2 0 270.377 -0.608 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001329838261 886233259 /nfs/dbraw/zinc/23/32/59/886233259.db2.gz OLCQNRJJJNQEIN-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC001329876873 886251527 /nfs/dbraw/zinc/25/15/27/886251527.db2.gz DBKOJSPJKYPVIF-SNVBAGLBSA-N 2 0 266.349 -0.645 20 0 CBADRP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001329926423 886281385 /nfs/dbraw/zinc/28/13/85/886281385.db2.gz SKWRGKFSLIARPF-ZIAGYGMSSA-N 3 0 280.416 -0.513 20 0 CBADRP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001329926421 886282934 /nfs/dbraw/zinc/28/29/34/886282934.db2.gz SKWRGKFSLIARPF-UONOGXRCSA-N 3 0 280.416 -0.513 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC001329949202 886296266 /nfs/dbraw/zinc/29/62/66/886296266.db2.gz IBMQXZXPOJAIII-UPJWGTAASA-N 2 0 296.415 -0.441 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001330024516 886330333 /nfs/dbraw/zinc/33/03/33/886330333.db2.gz RFTDWLJVOICEBO-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP C[NH+]1CCC(OCC(=O)NCC2([NH2+]CCO)CCC2)CC1 ZINC001447253298 913039095 /nfs/dbraw/zinc/03/90/95/913039095.db2.gz BZTYSMYJVPBGSE-UHFFFAOYSA-N 2 0 299.415 -0.282 20 0 CBADRP C[NH2+]CCCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001330584110 886489111 /nfs/dbraw/zinc/48/91/11/886489111.db2.gz HSGWITABRMAQBF-SECBINFHSA-N 2 0 251.334 -0.174 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001330592893 886492867 /nfs/dbraw/zinc/49/28/67/886492867.db2.gz ILQNBBRDNDIQKG-MNOVXSKESA-N 2 0 253.346 -0.295 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001330600569 886495118 /nfs/dbraw/zinc/49/51/18/886495118.db2.gz CKKGIILNVYEZGN-SECBINFHSA-N 2 0 266.349 -0.460 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC001330603257 886499210 /nfs/dbraw/zinc/49/92/10/886499210.db2.gz RVCAEIQIWUQIBU-PSASIEDQSA-N 2 0 251.334 -0.264 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N1C2CCC1(C[NH3+])CC2 ZINC001330619906 886504159 /nfs/dbraw/zinc/50/41/59/886504159.db2.gz ZOFBXQIUUCVZFC-UHFFFAOYSA-N 2 0 263.345 -0.025 20 0 CBADRP COC1(C(=O)NCCOCCC[NH3+])CC[NH2+]CC1 ZINC001330624638 886507652 /nfs/dbraw/zinc/50/76/52/886507652.db2.gz DVBHOLMYIDZDPE-UHFFFAOYSA-N 2 0 259.350 -0.763 20 0 CBADRP [NH3+]CC1(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CCOCC1 ZINC001330624660 886508004 /nfs/dbraw/zinc/50/80/04/886508004.db2.gz FDOZNEISMXRKEB-CMPLNLGQSA-N 2 0 253.346 -0.390 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1 ZINC001330624775 886508711 /nfs/dbraw/zinc/50/87/11/886508711.db2.gz GYNIYURMAGVITF-PHIMTYICSA-N 2 0 278.360 -0.407 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3=NO[C@H](C[NH3+])C3)CC[C@@H]21 ZINC001330641126 886515499 /nfs/dbraw/zinc/51/54/99/886515499.db2.gz PTHQVCLYHGJBDX-SCVCMEIPSA-N 2 0 266.345 -0.357 20 0 CBADRP COC[C@H](C)[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001447303838 913052685 /nfs/dbraw/zinc/05/26/85/913052685.db2.gz KDKCRECXHRMINB-KBPBESRZSA-N 2 0 299.415 -0.066 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001330861742 886602102 /nfs/dbraw/zinc/60/21/02/886602102.db2.gz ZTDOVJKPVJUOIC-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001330870093 886606592 /nfs/dbraw/zinc/60/65/92/886606592.db2.gz JVFKJFFLPDZYRP-SRVKXCTJSA-N 2 0 282.388 -0.417 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001330885421 886614119 /nfs/dbraw/zinc/61/41/19/886614119.db2.gz BXGGFTHGMIUQAS-WRWGMCAJSA-N 2 0 255.362 -0.003 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C(=O)c1cn(CC[NH3+])nn1 ZINC001330928615 886629187 /nfs/dbraw/zinc/62/91/87/886629187.db2.gz GZKJWZGPFWVDQR-SNVBAGLBSA-N 2 0 266.349 -0.549 20 0 CBADRP CN(C(=O)[C@@H](N)C[NH+](C)C)C1(C[NH3+])CCCCC1 ZINC001330950666 886633860 /nfs/dbraw/zinc/63/38/60/886633860.db2.gz JBBUYZAMHZTYSN-NSHDSACASA-N 2 0 256.394 -0.005 20 0 CBADRP CCN(CC[NH3+])C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001331054275 886659825 /nfs/dbraw/zinc/65/98/25/886659825.db2.gz WSNWFHHXYWUGQG-JTQLQIEISA-N 2 0 266.349 -0.377 20 0 CBADRP C[N@H+](CCC(N)=O)CC(=O)NC1CC[NH+](C)CC1 ZINC001331108634 886676058 /nfs/dbraw/zinc/67/60/58/886676058.db2.gz DFUMFKOGMCFUEJ-UHFFFAOYSA-N 2 0 256.350 -0.996 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331113900 886678972 /nfs/dbraw/zinc/67/89/72/886678972.db2.gz VRCDOODBTOCYMI-FDYHWXHSSA-N 2 0 296.415 -0.171 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331141635 886692315 /nfs/dbraw/zinc/69/23/15/886692315.db2.gz WOYUUZDKVIFDHJ-HAQNSBGRSA-N 2 0 284.404 -0.312 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC001331196038 886724142 /nfs/dbraw/zinc/72/41/42/886724142.db2.gz IPTIUCLNCVOBBL-JHJVBQTASA-N 2 0 294.399 -0.463 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001331231034 886741477 /nfs/dbraw/zinc/74/14/77/886741477.db2.gz AMIUGZIBRQVPHH-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC001331318034 886774257 /nfs/dbraw/zinc/77/42/57/886774257.db2.gz DJQMTCBANVEVAY-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC001331321954 886777294 /nfs/dbraw/zinc/77/72/94/886777294.db2.gz GBAGWOKKJSZPGN-YFKTTZPYSA-N 2 0 255.362 -0.064 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001331474637 886816727 /nfs/dbraw/zinc/81/67/27/886816727.db2.gz JPBYECPCNNGWSH-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]CCF)C2)C1 ZINC001447473824 913083965 /nfs/dbraw/zinc/08/39/65/913083965.db2.gz MNCCWQDLJKOACO-TZMCWYRMSA-N 2 0 287.379 -0.149 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001331572519 886850158 /nfs/dbraw/zinc/85/01/58/886850158.db2.gz BQEYHDCELJZMJQ-WISYIIOYSA-N 2 0 282.388 -0.467 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001331572515 886850413 /nfs/dbraw/zinc/85/04/13/886850413.db2.gz BQEYHDCELJZMJQ-DDHJBXDOSA-N 2 0 282.388 -0.467 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC001331572985 886852326 /nfs/dbraw/zinc/85/23/26/886852326.db2.gz WAFPJSGSRUGACV-NEPJUHHUSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331605262 886862488 /nfs/dbraw/zinc/86/24/88/886862488.db2.gz YNHZVTZTKNQJKW-GARJFASQSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001331605057 886862907 /nfs/dbraw/zinc/86/29/07/886862907.db2.gz WSESOQAWAGMOFS-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001447534479 913091504 /nfs/dbraw/zinc/09/15/04/913091504.db2.gz BQZJPQREEXJVLK-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001447534057 913092921 /nfs/dbraw/zinc/09/29/21/913092921.db2.gz BHTLOZPGLCBBRK-MNOVXSKESA-N 2 0 270.377 -0.879 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001447536150 913093166 /nfs/dbraw/zinc/09/31/66/913093166.db2.gz DYDCCSVTPFULOI-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H]1CCN(C(=O)c2cnc(C[NH3+])nc2)C[C@H]1C[NH3+] ZINC001331706640 886920826 /nfs/dbraw/zinc/92/08/26/886920826.db2.gz HSFPPAUQKGWGES-VHSXEESVSA-N 2 0 263.345 -0.008 20 0 CBADRP COCC[NH2+]CCNC(=O)NC1(C[NH3+])CCOCC1 ZINC001331729139 886942127 /nfs/dbraw/zinc/94/21/27/886942127.db2.gz AYCXIIDICIRGCY-UHFFFAOYSA-N 2 0 274.365 -0.971 20 0 CBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cnnn1C ZINC001447547043 913097263 /nfs/dbraw/zinc/09/72/63/913097263.db2.gz TUCIRSWUNVTSPY-WCQYABFASA-N 2 0 294.403 -0.297 20 0 CBADRP CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001331741226 886948385 /nfs/dbraw/zinc/94/83/85/886948385.db2.gz UEOPAYIRNDQOCE-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@H](O)[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC001331771618 886968846 /nfs/dbraw/zinc/96/88/46/886968846.db2.gz SECQRTKXJJEQGX-RYUDHWBXSA-N 2 0 269.389 -0.101 20 0 CBADRP Cc1nc[nH]c1CC(=O)NC[C@H](CO)[NH2+]CCCF ZINC001331818448 886998694 /nfs/dbraw/zinc/99/86/94/886998694.db2.gz GUXIQTYEZCTOJH-SNVBAGLBSA-N 2 0 272.324 -0.313 20 0 CBADRP C[NH2+]CCOCC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC001331848876 887013770 /nfs/dbraw/zinc/01/37/70/887013770.db2.gz DHEYKHHRTDEAEH-JTQLQIEISA-N 2 0 250.364 -0.611 20 0 CBADRP [NH3+]C[C@H]1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC001331980658 887076302 /nfs/dbraw/zinc/07/63/02/887076302.db2.gz JJROUUSZUSRVHW-VXGBXAGGSA-N 2 0 264.377 -0.017 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)C[C@H]2CC(=O)N2)C[C@H]1C[NH+](C)C ZINC001332174346 887142069 /nfs/dbraw/zinc/14/20/69/887142069.db2.gz BRJKWXRUCRBJMV-JHJVBQTASA-N 2 0 296.415 -0.537 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CCCO1 ZINC001332188160 887145887 /nfs/dbraw/zinc/14/58/87/887145887.db2.gz FKUWBQZKPQULOO-BLFANLJRSA-N 2 0 253.346 -0.310 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[NH+]1CCCCC1 ZINC001332206127 887153210 /nfs/dbraw/zinc/15/32/10/887153210.db2.gz HOXLMGQJBCABMZ-AVGNSLFASA-N 2 0 294.399 -0.450 20 0 CBADRP CONC(=O)C1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC001332230952 887163946 /nfs/dbraw/zinc/16/39/46/887163946.db2.gz HEXLCJXGNSPQLU-UHFFFAOYSA-N 2 0 298.387 -0.802 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)C1CC1 ZINC001332267646 887179288 /nfs/dbraw/zinc/17/92/88/887179288.db2.gz PVKNKAZWTBAIRD-CHWSQXEVSA-N 2 0 294.399 -0.450 20 0 CBADRP C[NH+](C)CCOCC[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC001332289141 887187206 /nfs/dbraw/zinc/18/72/06/887187206.db2.gz ZMSPXWMYDRDAOL-ZDUSSCGKSA-N 2 0 290.404 -0.553 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001332288866 887187569 /nfs/dbraw/zinc/18/75/69/887187569.db2.gz USRUFOOIPNFGMT-QNWHQSFQSA-N 2 0 294.399 -0.417 20 0 CBADRP C(N1CCN([C@@H]2CC[NH2+]C2)CC1)C12CC(C1)C[NH2+]2 ZINC001332314025 887198478 /nfs/dbraw/zinc/19/84/78/887198478.db2.gz QNQHHCWWTBSWQH-ROKHWSDSSA-N 2 0 250.390 -0.282 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC001332366397 887232369 /nfs/dbraw/zinc/23/23/69/887232369.db2.gz ZZRAVMBYZBZXNJ-WDEREUQCSA-N 2 0 261.391 -0.250 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001332390619 887249667 /nfs/dbraw/zinc/24/96/67/887249667.db2.gz HHIKNEYIMYODLE-AVGNSLFASA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH2+][C@@H](C(=O)N1CCC[C@H](C[NH3+])C1)c1cnn(C)c1 ZINC001332393707 887257595 /nfs/dbraw/zinc/25/75/95/887257595.db2.gz JUDFALTZZBNMTD-ZYHUDNBSSA-N 2 0 265.361 -0.122 20 0 CBADRP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1C[NH2+]C1 ZINC001332399588 887260473 /nfs/dbraw/zinc/26/04/73/887260473.db2.gz DRCOKHKHVFHPKL-CMPLNLGQSA-N 3 0 267.373 -0.131 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001332417394 887270200 /nfs/dbraw/zinc/27/02/00/887270200.db2.gz UULPIKQALPQFQB-FUNVUKJBSA-N 2 0 266.389 -0.367 20 0 CBADRP C[C@H]1CCN(CC(=O)N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001332423544 887272819 /nfs/dbraw/zinc/27/28/19/887272819.db2.gz DVJBEABCTMHAPR-NWDGAFQWSA-N 2 0 254.378 -0.665 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001332432076 887278800 /nfs/dbraw/zinc/27/88/00/887278800.db2.gz REHUISFVAOTRFU-SECBINFHSA-N 2 0 266.349 -0.473 20 0 CBADRP [NH3+]Cc1cc(C(=O)N2CCN(CCO)CC2)co1 ZINC001332431337 887279373 /nfs/dbraw/zinc/27/93/73/887279373.db2.gz DNBBAOFWLLSAFY-UHFFFAOYSA-N 2 0 253.302 -0.512 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001447804256 913131226 /nfs/dbraw/zinc/13/12/26/913131226.db2.gz KVQNWJVXTNLECB-VOMCLLRMSA-N 2 0 284.404 -0.443 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+][C@@H](C)C(N)=O)C1 ZINC001447822843 913135595 /nfs/dbraw/zinc/13/55/95/913135595.db2.gz KIQFASNZBIGZTD-UNXYVOJBSA-N 2 0 284.404 -0.315 20 0 CBADRP CN(C[C@@H](O)C[NH2+]CCCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001332591163 887369594 /nfs/dbraw/zinc/36/95/94/887369594.db2.gz DNCOXEHERVCCAI-OLZOCXBDSA-N 2 0 287.404 -0.881 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC2(C[NH3+])CC2)CC[N@@H+]1C ZINC001332694793 887409569 /nfs/dbraw/zinc/40/95/69/887409569.db2.gz YQWSENJZMDUWDO-RYUDHWBXSA-N 2 0 296.415 -0.170 20 0 CBADRP O[C@H](COC1CCOCC1)CN1CCC[NH2+]CC1 ZINC001332815550 887436676 /nfs/dbraw/zinc/43/66/76/887436676.db2.gz JIATUPQQHCKAPN-LBPRGKRZSA-N 2 0 258.362 -0.162 20 0 CBADRP CC1(C)[C@H](NC(=O)C2(O)C[NH2+]C2)[C@@H]2CCC[NH2+][C@H]21 ZINC001333220633 887563792 /nfs/dbraw/zinc/56/37/92/887563792.db2.gz NXDZEEPQZCWQTP-OPRDCNLKSA-N 2 0 253.346 -0.787 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH2+]CCC23CCC3)=NO1 ZINC001333229434 887567614 /nfs/dbraw/zinc/56/76/14/887567614.db2.gz PWDSJJUPZHTBMH-JTQLQIEISA-N 2 0 266.345 -0.165 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC001333335458 887599882 /nfs/dbraw/zinc/59/98/82/887599882.db2.gz FDCQTHDKUJAVMK-QWHCGFSZSA-N 2 0 285.388 -0.280 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NCCCC[NH+]1CCOCC1 ZINC001333336500 887601576 /nfs/dbraw/zinc/60/15/76/887601576.db2.gz OAAXZSUFYAZIBQ-UHFFFAOYSA-N 2 0 295.387 -0.279 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC001333380012 887616627 /nfs/dbraw/zinc/61/66/27/887616627.db2.gz WBIOOIRVZHELIM-AGIUHOORSA-N 2 0 294.399 -0.593 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001333405551 887624925 /nfs/dbraw/zinc/62/49/25/887624925.db2.gz MSJYKAGOUODFSI-AVGNSLFASA-N 2 0 294.399 -0.560 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001333531584 887677112 /nfs/dbraw/zinc/67/71/12/887677112.db2.gz BPWTXGIEGIYWAJ-ZETCQYMHSA-N 2 0 268.321 -0.952 20 0 CBADRP C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@@H](C)[NH2+]CC(N)=O ZINC001447935608 913171501 /nfs/dbraw/zinc/17/15/01/913171501.db2.gz RUTZCSLODRYPPB-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP [NH3+]CCCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001333622447 887718520 /nfs/dbraw/zinc/71/85/20/887718520.db2.gz NMYWJXRCXIMGFY-JTQLQIEISA-N 2 0 266.349 -0.329 20 0 CBADRP C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001333621855 887718776 /nfs/dbraw/zinc/71/87/76/887718776.db2.gz IBZCOAYLHBLLCI-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001333627802 887723708 /nfs/dbraw/zinc/72/37/08/887723708.db2.gz AMNNLKXVXMRXJB-JTQLQIEISA-N 2 0 294.346 -0.152 20 0 CBADRP C[C@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)[NH2+]CC(N)=O ZINC001447935605 913172624 /nfs/dbraw/zinc/17/26/24/913172624.db2.gz RUTZCSLODRYPPB-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nn1 ZINC001333630502 887725792 /nfs/dbraw/zinc/72/57/92/887725792.db2.gz QXBUTOHZSICTBX-AOOOYVTPSA-N 2 0 264.333 -0.797 20 0 CBADRP CC(C)([NH3+])CCC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001333640148 887731701 /nfs/dbraw/zinc/73/17/01/887731701.db2.gz OJBCNOVWJBVNKI-UHFFFAOYSA-N 2 0 267.333 -0.225 20 0 CBADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)[C@H]1CC[NH2+]1 ZINC001333657133 887738015 /nfs/dbraw/zinc/73/80/15/887738015.db2.gz MYRZULJFWSQHMR-SNVBAGLBSA-N 2 0 262.317 -0.813 20 0 CBADRP C[NH2+]CCCC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001333657733 887738153 /nfs/dbraw/zinc/73/81/53/887738153.db2.gz WLZCBNBLSXFOGP-UHFFFAOYSA-N 2 0 278.360 -0.176 20 0 CBADRP Cn1nnnc1CCC[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC001333826232 887782236 /nfs/dbraw/zinc/78/22/36/887782236.db2.gz LRDKHIWHUBTQRS-CYBMUJFWSA-N 2 0 294.403 -0.014 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001333881771 887796293 /nfs/dbraw/zinc/79/62/93/887796293.db2.gz AETISNQQDCYTSM-DGCLKSJQSA-N 2 0 296.415 -0.027 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001333883109 887796758 /nfs/dbraw/zinc/79/67/58/887796758.db2.gz GSGAWBGWSICPIG-XYPYZODXSA-N 2 0 282.388 -0.560 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001333959293 887821011 /nfs/dbraw/zinc/82/10/11/887821011.db2.gz MSJYKAGOUODFSI-FRRDWIJNSA-N 2 0 294.399 -0.560 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333960903 887821666 /nfs/dbraw/zinc/82/16/66/887821666.db2.gz XVJGVUXKNSXLNV-PHIMTYICSA-N 2 0 270.377 -0.702 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC001333959040 887821822 /nfs/dbraw/zinc/82/18/22/887821822.db2.gz HZSVJJDJNZKYHD-PHIMTYICSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH+](C)CCn1nccc1C(=O)N1CC([NH+](C)C)C1 ZINC001334005022 887840687 /nfs/dbraw/zinc/84/06/87/887840687.db2.gz BOSRMPUDXMVNRB-UHFFFAOYSA-N 2 0 265.361 -0.169 20 0 CBADRP CNC(=O)C1([NH2+]CC[C@@H]2CC[NH2+]C2)CCOCC1 ZINC001334045637 887851859 /nfs/dbraw/zinc/85/18/59/887851859.db2.gz HSGYIMVRMBGSBV-NSHDSACASA-N 2 0 255.362 -0.129 20 0 CBADRP NS(=O)(=O)C1CCN(CCC[NH2+]C2CC2)CC1 ZINC001334337199 887925472 /nfs/dbraw/zinc/92/54/72/887925472.db2.gz GPTAWXYOFDFMCO-UHFFFAOYSA-N 2 0 261.391 -0.119 20 0 CBADRP [NH3+]CC[C@@H](NC1CCN(CC[NH3+])CC1)C(F)F ZINC001334755126 888312632 /nfs/dbraw/zinc/31/26/32/888312632.db2.gz WYHOSLDNYQWGHR-SNVBAGLBSA-N 2 0 250.337 -0.018 20 0 CBADRP [NH3+]CC[C@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001334774227 888321433 /nfs/dbraw/zinc/32/14/33/888321433.db2.gz GVFUYCXBVPMWDQ-QWHCGFSZSA-N 3 0 268.405 -0.146 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001335202907 888441966 /nfs/dbraw/zinc/44/19/66/888441966.db2.gz SBFUQPWLCJTQRL-MNOVXSKESA-N 2 0 257.382 -0.779 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)C(=O)NCCC[NH3+])C[C@@H]2C1 ZINC001335234119 888461049 /nfs/dbraw/zinc/46/10/49/888461049.db2.gz JIVQGEXTBNTXMA-RWMBFGLXSA-N 2 0 296.415 -0.360 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCNCC[NH2+]CC1 ZINC001335350280 888510131 /nfs/dbraw/zinc/51/01/31/888510131.db2.gz GDFSJTPRRULREB-KBPBESRZSA-N 2 0 295.431 -0.182 20 0 CBADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCNCC[NH2+]CC1 ZINC001335352891 888514418 /nfs/dbraw/zinc/51/44/18/888514418.db2.gz WERGZPVYOAHINC-ZDUSSCGKSA-N 2 0 295.431 -0.325 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001335378756 888520086 /nfs/dbraw/zinc/52/00/86/888520086.db2.gz JIQLYEWULTXAGK-SDDRHHMPSA-N 2 0 284.404 -0.267 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]CCC(=O)NC(N)=O ZINC001335413267 888525400 /nfs/dbraw/zinc/52/54/00/888525400.db2.gz VWPIPONJFSHQCS-JTQLQIEISA-N 2 0 274.365 -0.482 20 0 CBADRP C[C@@H](CNC(=O)N1CCNCC[NH2+]CC1)[N@H+](C)C1CC1 ZINC001335413079 888525403 /nfs/dbraw/zinc/52/54/03/888525403.db2.gz LVIFVFUBAPWSMF-LBPRGKRZSA-N 2 0 283.420 -0.327 20 0 CBADRP CC[C@@H](O)C[NH2+]CC(=O)NCC[NH+]1CCCCC1 ZINC001335450690 888538438 /nfs/dbraw/zinc/53/84/38/888538438.db2.gz HUGYWFNOHJQEQN-GFCCVEGCSA-N 2 0 257.378 -0.051 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCNCC[NH2+]CC1 ZINC001335522654 888553552 /nfs/dbraw/zinc/55/35/52/888553552.db2.gz PVEDOMRXHPTETN-CYBMUJFWSA-N 2 0 285.436 -0.079 20 0 CBADRP CC[NH2+]CCNC(=O)NC[C@@H](C[NH+](C)C)OCC ZINC001335582930 888569403 /nfs/dbraw/zinc/56/94/03/888569403.db2.gz CJJWOYJLPFFIEG-NSHDSACASA-N 2 0 260.382 -0.138 20 0 CBADRP C[NH+](C)CCC(=O)NC1(C[NH2+]CC(N)=O)CCCCC1 ZINC001448226865 913257499 /nfs/dbraw/zinc/25/74/99/913257499.db2.gz ROCWMNDTTQBSSW-UHFFFAOYSA-N 2 0 284.404 -0.168 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CC[C@H](CC[NH3+])C1 ZINC001335590359 888572989 /nfs/dbraw/zinc/57/29/89/888572989.db2.gz LECRDKAKKSPGBS-NSHDSACASA-N 2 0 258.366 -0.268 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)N1CCNCC[NH2+]CC1 ZINC001335586825 888573409 /nfs/dbraw/zinc/57/34/09/888573409.db2.gz DPPIXZPFNYFMLP-NSHDSACASA-N 2 0 257.382 -0.826 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC001335586787 888574026 /nfs/dbraw/zinc/57/40/26/888574026.db2.gz CWRAJUMMLYZJBW-GHMZBOCLSA-N 2 0 256.350 -0.632 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001335621145 888586426 /nfs/dbraw/zinc/58/64/26/888586426.db2.gz CIPAHVGXOUEUIK-WZRBSPASSA-N 2 0 252.362 -0.011 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC001335696677 888606035 /nfs/dbraw/zinc/60/60/35/888606035.db2.gz PVWWBTYJXXNCHE-MGCOHNPYSA-N 2 0 254.334 -0.893 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC001335752323 888621710 /nfs/dbraw/zinc/62/17/10/888621710.db2.gz WXRXEISEFRYXEZ-WISYIIOYSA-N 2 0 282.388 -0.561 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001335788961 888629205 /nfs/dbraw/zinc/62/92/05/888629205.db2.gz ONYHMKZGATVGQR-FRRDWIJNSA-N 2 0 268.405 -0.182 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001335845613 888645244 /nfs/dbraw/zinc/64/52/44/888645244.db2.gz OVJDBSNOULJROG-GHMZBOCLSA-N 2 0 255.362 -0.273 20 0 CBADRP C[C@H](C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1)C[NH+](C)C ZINC001335956025 888660944 /nfs/dbraw/zinc/66/09/44/888660944.db2.gz XZKWYEQKWBQAKK-FRRDWIJNSA-N 2 0 260.378 -0.324 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(C)CC[NH+](C)CC2)CC1 ZINC001335969257 888663172 /nfs/dbraw/zinc/66/31/72/888663172.db2.gz RXMHEYUBSKMEBL-OAHLLOKOSA-N 3 0 298.475 -0.084 20 0 CBADRP C[C@H](NC[C@H](O)C[N@H+](C)C1CC1)[C@H]1C[NH+](C)CCN1C ZINC001335987267 888665670 /nfs/dbraw/zinc/66/56/70/888665670.db2.gz SMRHBRYMGKEFGL-AEGPPILISA-N 2 0 284.448 -0.335 20 0 CBADRP O=C1NC(=O)C2(CCN(C[C@H](O)C[NH+]3CCCC3)CC2)N1 ZINC001336050526 888686330 /nfs/dbraw/zinc/68/63/30/888686330.db2.gz CKAPGSRMVJEMPO-LLVKDONJSA-N 2 0 296.371 -0.883 20 0 CBADRP C([C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH2+]CC[NH2+]CC1 ZINC001336094533 888691656 /nfs/dbraw/zinc/69/16/56/888691656.db2.gz KRXWLLLDQSEQSB-AWEZNQCLSA-N 3 0 282.432 -0.360 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC001336152607 888707237 /nfs/dbraw/zinc/70/72/37/888707237.db2.gz YISSAZJCSJPJCB-WCQYABFASA-N 2 0 270.377 -0.125 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC001336558533 888795767 /nfs/dbraw/zinc/79/57/67/888795767.db2.gz XOZYZAJELLCYAS-XQQFMLRXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001336590276 888805473 /nfs/dbraw/zinc/80/54/73/888805473.db2.gz XFTAFGBUZZOBCY-CYDGBPFRSA-N 2 0 296.415 -0.362 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001336652037 888832966 /nfs/dbraw/zinc/83/29/66/888832966.db2.gz XUYPTBZAJMGUGK-WUHRBBMRSA-N 2 0 294.399 -0.594 20 0 CBADRP C[C@]1(C(=O)N2CCC(OCCC[NH3+])CC2)C[C@@H](O)C[NH2+]1 ZINC001336661970 888836993 /nfs/dbraw/zinc/83/69/93/888836993.db2.gz YXXDKHZKYLSKDZ-BXUZGUMPSA-N 2 0 285.388 -0.544 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001336660581 888837616 /nfs/dbraw/zinc/83/76/16/888837616.db2.gz ROLSDPGEUQPJBC-KIENENRBSA-N 2 0 255.362 -0.328 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001336689416 888845390 /nfs/dbraw/zinc/84/53/90/888845390.db2.gz OWNADCUCRHZEQB-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001336687223 888846034 /nfs/dbraw/zinc/84/60/34/888846034.db2.gz LVYJQSXARMTJEB-WCQYABFASA-N 2 0 255.362 -0.443 20 0 CBADRP [NH3+][C@H]1CC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC001336741963 888863392 /nfs/dbraw/zinc/86/33/92/888863392.db2.gz KQDBOJXBQZMGFZ-GMTAPVOTSA-N 2 0 268.361 -0.759 20 0 CBADRP C[N@@H+]1CCCN(CCC[NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001336749295 888867666 /nfs/dbraw/zinc/86/76/66/888867666.db2.gz ALFZIHDCGIVRDB-OAHLLOKOSA-N 2 0 295.431 -0.139 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[C@H](CC[NH3+])C1 ZINC001336892559 888908896 /nfs/dbraw/zinc/90/88/96/888908896.db2.gz CEJSPBPPEHNVML-NSHDSACASA-N 2 0 258.366 -0.397 20 0 CBADRP [NH3+][C@@H](CNC(=O)N1CCNCC[NH2+]CC1)c1ccccc1 ZINC001336892633 888910146 /nfs/dbraw/zinc/91/01/46/888910146.db2.gz GFJTXWCXLSNTQP-AWEZNQCLSA-N 2 0 291.399 -0.109 20 0 CBADRP COCC[NH2+]CCNC(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001336894025 888910679 /nfs/dbraw/zinc/91/06/79/888910679.db2.gz PIUAJNSBBDQTMM-MNOVXSKESA-N 2 0 258.366 -0.351 20 0 CBADRP O=C(NCC[NH2+]C1CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001336905341 888915421 /nfs/dbraw/zinc/91/54/21/888915421.db2.gz FJKQDMMZPMYRGU-WDEREUQCSA-N 2 0 252.362 -0.011 20 0 CBADRP CCO[C@@H](CNC(=O)N[C@H](C)C[NH2+]C)C[NH+](C)C ZINC001336907684 888916520 /nfs/dbraw/zinc/91/65/20/888916520.db2.gz LZQLGMROIGTIAI-MNOVXSKESA-N 2 0 260.382 -0.140 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC001336909018 888916615 /nfs/dbraw/zinc/91/66/15/888916615.db2.gz VJIOXXTZLKSUMJ-AKJDGMEZSA-N 2 0 268.361 -0.632 20 0 CBADRP C[C@@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)C[C@H]1CC[NH3+] ZINC001336909560 888919327 /nfs/dbraw/zinc/91/93/27/888919327.db2.gz VDFGUDQXKHCQHJ-ZIAGYGMSSA-N 2 0 297.447 -0.092 20 0 CBADRP CN(C(=O)NC/C=C\C[NH3+])C1(C[NH3+])CCOCC1 ZINC001336920575 888922338 /nfs/dbraw/zinc/92/23/38/888922338.db2.gz BOKQRTDEGTUKOQ-IHWYPQMZSA-N 2 0 256.350 -0.349 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)NCCN1CCC([NH3+])CC1 ZINC001336962777 888934417 /nfs/dbraw/zinc/93/44/17/888934417.db2.gz CRYKOYXPCIGMIO-JTQLQIEISA-N 2 0 257.382 -0.602 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC001336964945 888936808 /nfs/dbraw/zinc/93/68/08/888936808.db2.gz KZWUAOJYMWJLCO-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC001336977994 888940440 /nfs/dbraw/zinc/94/04/40/888940440.db2.gz OGVKLAIIDBTALV-GHMZBOCLSA-N 2 0 259.350 -0.813 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001336990777 888944023 /nfs/dbraw/zinc/94/40/23/888944023.db2.gz PBEJCDVIZUBVRC-WGBDABJCSA-N 2 0 268.361 -0.755 20 0 CBADRP [NH3+]CCN(CC(F)(F)F)C(=O)[C@@H]1C[NH2+]CCO1 ZINC001336993366 888945807 /nfs/dbraw/zinc/94/58/07/888945807.db2.gz YHZGUXVUVYZZHX-ZETCQYMHSA-N 2 0 255.240 -0.676 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC001337037545 888953204 /nfs/dbraw/zinc/95/32/04/888953204.db2.gz SPFFYYUBYGMYIO-ZJUUUORDSA-N 2 0 256.350 -0.647 20 0 CBADRP CCC1([NH3+])CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001337309680 888989806 /nfs/dbraw/zinc/98/98/06/888989806.db2.gz JTZIYKHBFJCWKK-UHFFFAOYSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001337309006 888990162 /nfs/dbraw/zinc/99/01/62/888990162.db2.gz HAWQKFRDGVHRBL-UWVGGRQHSA-N 2 0 268.361 -0.855 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@@H+]1C ZINC001337359409 888995843 /nfs/dbraw/zinc/99/58/43/888995843.db2.gz VJWBEZWKJGIDTD-KKOKHZNYSA-N 2 0 282.388 -0.561 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC001337357681 888997201 /nfs/dbraw/zinc/99/72/01/888997201.db2.gz PGOHPWISGVIVGW-UPJWGTAASA-N 2 0 296.415 -0.075 20 0 CBADRP CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC[NH2+]C1 ZINC001337420180 889005693 /nfs/dbraw/zinc/00/56/93/889005693.db2.gz HCUVYZJEDQIDMW-AAEUAGOBSA-N 2 0 294.399 -0.450 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001337511098 889026050 /nfs/dbraw/zinc/02/60/50/889026050.db2.gz CEIPNLYRYHMTRA-TXEJJXNPSA-N 2 0 284.404 -0.312 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC[C@H]21 ZINC001337517151 889027795 /nfs/dbraw/zinc/02/77/95/889027795.db2.gz XINJRWFNCRCOOM-WUHRBBMRSA-N 2 0 294.399 -0.608 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001337529672 889032639 /nfs/dbraw/zinc/03/26/39/889032639.db2.gz IRJWVCMBFWTHRT-SRVKXCTJSA-N 2 0 282.388 -0.608 20 0 CBADRP [NH3+][C@H]1CCCN(Cc2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC001337621810 889057413 /nfs/dbraw/zinc/05/74/13/889057413.db2.gz YPQUDOPQYGTANC-JQWIXIFHSA-N 2 0 250.350 -0.264 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC001337805587 889081144 /nfs/dbraw/zinc/08/11/44/889081144.db2.gz NQECUFULAHPVMZ-NXEZZACHSA-N 2 0 252.318 -0.192 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C2([C@H](C)[NH3+])CCOCC2)C1 ZINC001338368236 889148780 /nfs/dbraw/zinc/14/87/80/889148780.db2.gz FTZOGHORMXBYBN-WDEREUQCSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CC1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC(O)C1 ZINC001338372802 889151442 /nfs/dbraw/zinc/15/14/42/889151442.db2.gz CZHIPYACUMDLPV-CFGSLIKFSA-N 2 0 253.346 -0.561 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC001338641818 889183322 /nfs/dbraw/zinc/18/33/22/889183322.db2.gz UDQDZPPKDGHACZ-DCAQKATOSA-N 2 0 258.366 -0.258 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001338647693 889185784 /nfs/dbraw/zinc/18/57/84/889185784.db2.gz WPLKIJLQPCRCMK-FSDSQADBSA-N 2 0 254.256 -0.135 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)NCCN1CCC([NH3+])CC1 ZINC001338658331 889185941 /nfs/dbraw/zinc/18/59/41/889185941.db2.gz AKHLGYQKAYOZII-SNVBAGLBSA-N 2 0 257.382 -0.683 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)CCN1C ZINC001338876821 889211602 /nfs/dbraw/zinc/21/16/02/889211602.db2.gz HSIDUAAOUWEGCS-GFCCVEGCSA-N 2 0 269.389 -0.147 20 0 CBADRP Cc1ccsc1CNC(=O)CNC(C[NH3+])C[NH3+] ZINC001339912852 889343394 /nfs/dbraw/zinc/34/33/94/889343394.db2.gz HEAGWKDBOOPSSC-UHFFFAOYSA-N 2 0 256.375 -0.452 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@H](C)[C@@H](O)C[NH2+]C)CC1 ZINC001340017223 889365357 /nfs/dbraw/zinc/36/53/57/889365357.db2.gz BUMHBKHFEZDDKW-PWSUYJOCSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@H](CNC(=O)C1=NOC2(C1)CC[NH2+]CC2)[NH+](C)C ZINC001340056707 889375634 /nfs/dbraw/zinc/37/56/34/889375634.db2.gz OOZXUDADKKZBPP-SNVBAGLBSA-N 2 0 268.361 -0.049 20 0 CBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CO)[C@@H](C)C1 ZINC001340092316 889382316 /nfs/dbraw/zinc/38/23/16/889382316.db2.gz AELYAQICDSRSEP-XQQFMLRXSA-N 2 0 287.404 -0.441 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)CC2CC([NH3+])C2)CC1 ZINC001340111381 889385499 /nfs/dbraw/zinc/38/54/99/889385499.db2.gz AHGHRXFHQZPXJN-UHFFFAOYSA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001340112094 889387004 /nfs/dbraw/zinc/38/70/04/889387004.db2.gz MCKDNOJWYSBPRZ-OAHLLOKOSA-N 2 0 298.431 -0.755 20 0 CBADRP CCC[NH2+]CCNC(=O)c1cnn2cc(CC[NH3+])cnc12 ZINC001340120383 889388307 /nfs/dbraw/zinc/38/83/07/889388307.db2.gz ZLRAPNNNUFTQCC-UHFFFAOYSA-N 2 0 290.371 -0.040 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC001340127433 889388460 /nfs/dbraw/zinc/38/84/60/889388460.db2.gz CTHUGFQXHYWUCN-AAEUAGOBSA-N 2 0 254.378 -0.604 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)[C@H](C)C[NH2+]1 ZINC001340127397 889389629 /nfs/dbraw/zinc/38/96/29/889389629.db2.gz AWMVFGCSCQZUAY-NDBYEHHHSA-N 2 0 266.389 -0.417 20 0 CBADRP COCC[NH2+]CCNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001340129747 889391177 /nfs/dbraw/zinc/39/11/77/889391177.db2.gz XMYMMAUBBVOEHG-ZDUSSCGKSA-N 2 0 284.360 -0.763 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)N2CCO[C@H](C[NH3+])C2)n1 ZINC001340135070 889392400 /nfs/dbraw/zinc/39/24/00/889392400.db2.gz SOVBPNLTMAPMJN-SNVBAGLBSA-N 2 0 267.333 -0.968 20 0 CBADRP C[NH2+]C1CC(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC001340161618 889397237 /nfs/dbraw/zinc/39/72/37/889397237.db2.gz BVRVVFFYWNGKPC-WXRRBKDZSA-N 2 0 266.389 -0.510 20 0 CBADRP [NH3+]Cc1nc(CC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cs1 ZINC001340162703 889397498 /nfs/dbraw/zinc/39/74/98/889397498.db2.gz GLCHJVVNRUUFEK-VROVMSAKSA-N 2 0 252.343 -0.522 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001340184874 889405203 /nfs/dbraw/zinc/40/52/03/889405203.db2.gz QBQICPXQSCBENE-WYUUTHIRSA-N 2 0 253.346 -0.663 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CNCC[NH3+] ZINC001340191267 889405803 /nfs/dbraw/zinc/40/58/03/889405803.db2.gz SCLIEFYSVYGQNQ-VXGBXAGGSA-N 2 0 256.394 -0.229 20 0 CBADRP C[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1)C[NH+]1CCCC1 ZINC001340182984 889405844 /nfs/dbraw/zinc/40/58/44/889405844.db2.gz GRQUSNKTKZMZMB-BZPMIXESSA-N 2 0 269.389 -0.053 20 0 CBADRP [NH3+]CCNCC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC001340217108 889411212 /nfs/dbraw/zinc/41/12/12/889411212.db2.gz FCSKKMSYCOUSOD-UHFFFAOYSA-N 2 0 284.404 -0.704 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001340239807 889413557 /nfs/dbraw/zinc/41/35/57/889413557.db2.gz CCCSRBVJXLRFPO-OUCADQQQSA-N 2 0 269.389 -0.101 20 0 CBADRP [NH3+]CCNCC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC001340241930 889414212 /nfs/dbraw/zinc/41/42/12/889414212.db2.gz RWDPOZOBSYSWKZ-UHFFFAOYSA-N 2 0 291.399 -0.290 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001340248233 889415019 /nfs/dbraw/zinc/41/50/19/889415019.db2.gz HRRSPHNBUUQXNQ-HIFRSBDPSA-N 2 0 298.431 -0.757 20 0 CBADRP C[NH+]1CCN(CCNC(=O)C23CCC(CC2)[NH2+]3)CC1 ZINC001340240105 889415244 /nfs/dbraw/zinc/41/52/44/889415244.db2.gz FKHZFWCAEKJSOY-UHFFFAOYSA-N 2 0 266.389 -0.365 20 0 CBADRP C[C@@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@@H](O)C[NH2+]1 ZINC001340282153 889417842 /nfs/dbraw/zinc/41/78/42/889417842.db2.gz PEEGSVMXZLFVDO-XZUYRWCXSA-N 2 0 253.346 -0.548 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC001340266265 889418047 /nfs/dbraw/zinc/41/80/47/889418047.db2.gz MJSFYSPTOJZQNW-GMXVVIOVSA-N 2 0 257.378 -0.291 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC001340301329 889419287 /nfs/dbraw/zinc/41/92/87/889419287.db2.gz WDBYLBUURYDDIX-FRRDWIJNSA-N 2 0 294.399 -0.606 20 0 CBADRP C[NH+](C)C1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC001340295447 889420209 /nfs/dbraw/zinc/42/02/09/889420209.db2.gz CRPCCHDUIQFYHF-GFCCVEGCSA-N 2 0 266.389 -0.413 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCN2C)C[C@@H]1C[NH3+] ZINC001340334894 889422638 /nfs/dbraw/zinc/42/26/38/889422638.db2.gz UWBIRJQXCOMVDN-GRYCIOLGSA-N 2 0 254.378 -0.667 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCN2C)C[C@H]1C[NH3+] ZINC001340334896 889422807 /nfs/dbraw/zinc/42/28/07/889422807.db2.gz UWBIRJQXCOMVDN-UTUOFQBUSA-N 2 0 254.378 -0.667 20 0 CBADRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001340339624 889424427 /nfs/dbraw/zinc/42/44/27/889424427.db2.gz GCZOZGVZNXRBFU-OLZOCXBDSA-N 2 0 296.415 -0.264 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C[C@@H](O)C[NH3+])CC1 ZINC001340347682 889424492 /nfs/dbraw/zinc/42/44/92/889424492.db2.gz AVIWEQWEELDKOA-DGCLKSJQSA-N 2 0 269.389 -0.067 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[C@@H](O)C[NH3+])C1 ZINC001340356382 889425578 /nfs/dbraw/zinc/42/55/78/889425578.db2.gz BYZSYECQVYPAFD-QJPTWQEYSA-N 2 0 255.362 -0.361 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001340349926 889426174 /nfs/dbraw/zinc/42/61/74/889426174.db2.gz PHXFNKYSYVVKOY-UMSGYPCISA-N 2 0 266.389 -0.369 20 0 CBADRP O=C(C[NH+]1CCC(CO)CC1)NCCCN1CC[NH2+]CC1 ZINC001340465140 889437375 /nfs/dbraw/zinc/43/73/75/889437375.db2.gz YCCHXSUUNFAPAE-UHFFFAOYSA-N 2 0 298.431 -0.898 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001340467730 889437426 /nfs/dbraw/zinc/43/74/26/889437426.db2.gz BKRJVZCJICLRAT-UTUOFQBUSA-N 2 0 268.405 -0.136 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(C)C1CCC([NH3+])CC1 ZINC001340482980 889438810 /nfs/dbraw/zinc/43/88/10/889438810.db2.gz FDPAWKCGCRJYAH-YYJSSNLHSA-N 2 0 257.378 -0.069 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001340482530 889439465 /nfs/dbraw/zinc/43/94/65/889439465.db2.gz GPYIZIOEFUVJDD-CYBMUJFWSA-N 2 0 268.361 -0.047 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1[NH2+]CC12CCOCC2)[NH+](C)C ZINC001340526313 889441608 /nfs/dbraw/zinc/44/16/08/889441608.db2.gz CHMKEECYIUHLOT-MNOVXSKESA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001340527028 889441797 /nfs/dbraw/zinc/44/17/97/889441797.db2.gz OTKTYTUQDAJNQH-DCAQKATOSA-N 2 0 255.362 -0.003 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2[NH2+]CC23CCCC3)CCO1 ZINC001340530808 889443506 /nfs/dbraw/zinc/44/35/06/889443506.db2.gz PHUNCUPUWPGTON-QWRGUYRKSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001340597587 889450683 /nfs/dbraw/zinc/45/06/83/889450683.db2.gz YVWHBZJNGPFKNW-UTUOFQBUSA-N 2 0 255.362 -0.171 20 0 CBADRP [NH3+]C[C@H](O)CNC(=O)[C@H]1CCCCC12CC[NH2+]CC2 ZINC001340643871 889460054 /nfs/dbraw/zinc/46/00/54/889460054.db2.gz KJIWCOPVQIABCV-NWDGAFQWSA-N 2 0 269.389 -0.018 20 0 CBADRP CC(C)[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)[NH+]1CCCCC1 ZINC001340658672 889461567 /nfs/dbraw/zinc/46/15/67/889461567.db2.gz CIXGDCLIIDPLAE-FRRDWIJNSA-N 2 0 269.389 -0.054 20 0 CBADRP [NH3+]Cc1ccccc1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001340676934 889464183 /nfs/dbraw/zinc/46/41/83/889464183.db2.gz NSSPQEJJZQLJRX-UHFFFAOYSA-N 2 0 261.325 -0.040 20 0 CBADRP CN(CCOCC[NH3+])C(=O)Cc1csc(C[NH3+])n1 ZINC001340718401 889471210 /nfs/dbraw/zinc/47/12/10/889471210.db2.gz NAVNPQFXRODIJT-UHFFFAOYSA-N 2 0 272.374 -0.422 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC001340736407 889476029 /nfs/dbraw/zinc/47/60/29/889476029.db2.gz RWIPHNDRQHXIEL-CHWSQXEVSA-N 2 0 265.357 -0.405 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001340735734 889477220 /nfs/dbraw/zinc/47/72/20/889477220.db2.gz PGXXRXNOHQSJJL-GHMZBOCLSA-N 2 0 253.346 -0.282 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001340794918 889487034 /nfs/dbraw/zinc/48/70/34/889487034.db2.gz AHZJPAJMGXQJCQ-CYDGBPFRSA-N 2 0 269.389 -0.197 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340786715 889487539 /nfs/dbraw/zinc/48/75/39/889487539.db2.gz OFXYTSNQLQVYEX-SECBINFHSA-N 2 0 254.334 -0.391 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C[C@@]1(O)CCC[NH2+]C1)C2 ZINC001340821981 889492291 /nfs/dbraw/zinc/49/22/91/889492291.db2.gz HQVYFZNYFLRRLK-YUTCNCBUSA-N 2 0 267.373 -0.441 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)O)C1 ZINC001340821810 889492327 /nfs/dbraw/zinc/49/23/27/889492327.db2.gz CMWDKMRMGYDLOR-WDEREUQCSA-N 2 0 257.378 -0.069 20 0 CBADRP O=C(C1CC[NH2+]CC1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001340849459 889497783 /nfs/dbraw/zinc/49/77/83/889497783.db2.gz XTMYPYTUYDSKTI-GFCCVEGCSA-N 2 0 255.362 -0.441 20 0 CBADRP CC[C@H](CO)[NH2+]CC1(C[NH2+][C@H](CC)CO)COC1 ZINC001340884733 889506949 /nfs/dbraw/zinc/50/69/49/889506949.db2.gz HSYKPECUPOPYPH-VXGBXAGGSA-N 2 0 260.378 -0.276 20 0 CBADRP C[NH+](C)C1CCN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001340892431 889507782 /nfs/dbraw/zinc/50/77/82/889507782.db2.gz GKEMFKOACHFQOA-WCQYABFASA-N 2 0 255.362 -0.348 20 0 CBADRP CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001340893942 889509899 /nfs/dbraw/zinc/50/98/99/889509899.db2.gz LWEOJSGRPJHTGE-VXGBXAGGSA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001340903286 889510004 /nfs/dbraw/zinc/51/00/04/889510004.db2.gz KUWVERDDHLFZIN-MXWKQRLJSA-N 2 0 253.346 -0.521 20 0 CBADRP C[C@H]([NH3+])CC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001340903856 889510303 /nfs/dbraw/zinc/51/03/03/889510303.db2.gz NWUZHWZUVDNXMO-QWRGUYRKSA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001340919769 889513234 /nfs/dbraw/zinc/51/32/34/889513234.db2.gz FBEPKANYZOEBES-XHSYRHOGSA-N 2 0 269.345 -0.667 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001340935685 889516959 /nfs/dbraw/zinc/51/69/59/889516959.db2.gz HTCPJBFFDOVJRY-SKDRFNHKSA-N 2 0 254.334 -0.262 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001340935684 889517269 /nfs/dbraw/zinc/51/72/69/889517269.db2.gz HTCPJBFFDOVJRY-JOYOIKCWSA-N 2 0 254.334 -0.262 20 0 CBADRP CC1(C)CC[NH2+][C@H]1C(=O)NCCN1CCC([NH3+])CC1 ZINC001340943349 889518652 /nfs/dbraw/zinc/51/86/52/889518652.db2.gz SMKYFSNVQUPCPY-LBPRGKRZSA-N 2 0 268.405 -0.086 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001340942614 889519347 /nfs/dbraw/zinc/51/93/47/889519347.db2.gz FALAWFXTIKUCTG-OLZOCXBDSA-N 2 0 269.389 -0.066 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001340942613 889520003 /nfs/dbraw/zinc/52/00/03/889520003.db2.gz FALAWFXTIKUCTG-CHWSQXEVSA-N 2 0 269.389 -0.066 20 0 CBADRP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[NH2+]C[C@@H]1CO ZINC001340955157 889522089 /nfs/dbraw/zinc/52/20/89/889522089.db2.gz XKXXLZVGNKAVED-MNOVXSKESA-N 2 0 253.346 -0.831 20 0 CBADRP C[NH2+][C@H](C(=O)N1C[C@H]([NH3+])C(C)(C)C1)c1cnn(C)c1 ZINC001340979264 889526269 /nfs/dbraw/zinc/52/62/69/889526269.db2.gz XCPMTOYQMJGFPE-QWRGUYRKSA-N 2 0 265.361 -0.124 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC001341025886 889532636 /nfs/dbraw/zinc/53/26/36/889532636.db2.gz PSUDHMGOAWCJBU-IJLUTSLNSA-N 2 0 255.362 -0.273 20 0 CBADRP CCO[C@@H](CNC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21)C[NH+](C)C ZINC001341057094 889539841 /nfs/dbraw/zinc/53/98/41/889539841.db2.gz IJERYHWVLGEYAS-RNJOBUHISA-N 2 0 269.389 -0.075 20 0 CBADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001341099472 889542236 /nfs/dbraw/zinc/54/22/36/889542236.db2.gz IWXAWBJKANABTA-OCCSQVGLSA-N 2 0 268.405 -0.085 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)CNCC[NH3+])CC1 ZINC001341114480 889546075 /nfs/dbraw/zinc/54/60/75/889546075.db2.gz KUUGJRIWMMYEKO-CYBMUJFWSA-N 2 0 268.405 -0.229 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001341143034 889547729 /nfs/dbraw/zinc/54/77/29/889547729.db2.gz BYFFJBRUVRBXSY-TVQRCGJNSA-N 2 0 263.345 -0.409 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)CN1CC[NH2+]CC1 ZINC001341143274 889548553 /nfs/dbraw/zinc/54/85/53/889548553.db2.gz DXVNJBLPKATUHL-WOPDTQHZSA-N 2 0 254.378 -0.511 20 0 CBADRP O=C(NCC[C@@H]1CSCC[NH2+]1)[C@@H]1C[NH2+]CCO1 ZINC001341148358 889550912 /nfs/dbraw/zinc/55/09/12/889550912.db2.gz KVROJLFUQAIHIQ-ZJUUUORDSA-N 2 0 259.375 -0.814 20 0 CBADRP [NH3+][C@H]1CC[C@@H](C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC001341241167 889561442 /nfs/dbraw/zinc/56/14/42/889561442.db2.gz XKXWOKUDPKPHQP-LOWVWBTDSA-N 2 0 255.362 -0.184 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)C1 ZINC001341243637 889564823 /nfs/dbraw/zinc/56/48/23/889564823.db2.gz IOEYXPSZSNFECI-JHJVBQTASA-N 2 0 266.389 -0.415 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC001341242396 889566498 /nfs/dbraw/zinc/56/64/98/889566498.db2.gz BABMRZYOZCGFNR-BJDJZHNGSA-N 2 0 257.378 -0.069 20 0 CBADRP C[NH2+]Cc1ccccc1CNC(=O)CNCC[NH3+] ZINC001341305226 889575043 /nfs/dbraw/zinc/57/50/43/889575043.db2.gz APEUARRQLCPQGT-UHFFFAOYSA-N 2 0 250.346 -0.430 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC[C@H](C[NH3+])C1 ZINC001341354074 889581094 /nfs/dbraw/zinc/58/10/94/889581094.db2.gz PJSTZHWDQAPJPG-JHJVBQTASA-N 2 0 266.389 -0.428 20 0 CBADRP [NH3+]C[C@H](O)CNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC001341381579 889586376 /nfs/dbraw/zinc/58/63/76/889586376.db2.gz BSRPVQUVCCQFQG-ZDUSSCGKSA-N 2 0 263.341 -0.576 20 0 CBADRP [NH3+][C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)C1CCCCCC1 ZINC001341419358 889592881 /nfs/dbraw/zinc/59/28/81/889592881.db2.gz XYYSKTHLOCAIEZ-WOPDTQHZSA-N 2 0 255.362 -0.267 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001341424184 889595613 /nfs/dbraw/zinc/59/56/13/889595613.db2.gz UDEZUVWBIOMLAP-LSCVPOLPSA-N 2 0 253.346 -0.500 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC001341467499 889600898 /nfs/dbraw/zinc/60/08/98/889600898.db2.gz IDHBPKDUVZUEHF-JQWIXIFHSA-N 2 0 259.325 -0.475 20 0 CBADRP COC1(C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC[NH2+]CC1 ZINC001341463865 889601423 /nfs/dbraw/zinc/60/14/23/889601423.db2.gz BRNPBDAWFOAMRM-SNVBAGLBSA-N 2 0 255.362 -0.131 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC001341473566 889603933 /nfs/dbraw/zinc/60/39/33/889603933.db2.gz UMZQRQSJZOWXPC-MGPQQGTHSA-N 2 0 299.415 -0.033 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001341469018 889604206 /nfs/dbraw/zinc/60/42/06/889604206.db2.gz NRSDWARAWMVEQT-LBPRGKRZSA-N 2 0 267.373 -0.081 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)C1(C[NH3+])CC(O)C1)C1CC1 ZINC001341571869 889622411 /nfs/dbraw/zinc/62/24/11/889622411.db2.gz VJUSBAMDSBPADB-QWKFWESOSA-N 2 0 255.362 -0.457 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)C[C@@]1(O)CCC[NH2+]C1)C1CC1 ZINC001341572189 889624076 /nfs/dbraw/zinc/62/40/76/889624076.db2.gz YEFQUQRSNDXESR-OCCSQVGLSA-N 2 0 269.389 -0.053 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC001341574314 889626909 /nfs/dbraw/zinc/62/69/09/889626909.db2.gz RACOLVCTGQLJSV-WDEREUQCSA-N 2 0 255.362 -0.179 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC001341574313 889627229 /nfs/dbraw/zinc/62/72/29/889627229.db2.gz RACOLVCTGQLJSV-QWRGUYRKSA-N 2 0 255.362 -0.179 20 0 CBADRP [NH3+]CCCSCCC(=O)N1CC[NH2+]C[C@H]1CO ZINC001341583686 889629643 /nfs/dbraw/zinc/62/96/43/889629643.db2.gz YUYXZFYRBSOZDY-JTQLQIEISA-N 2 0 261.391 -0.749 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC001341587027 889629926 /nfs/dbraw/zinc/62/99/26/889629926.db2.gz SQDAZVSFWLDPCW-WCQYABFASA-N 2 0 294.399 -0.463 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](O)C[NH3+])[C@@H](C)C1 ZINC001341619466 889634578 /nfs/dbraw/zinc/63/45/78/889634578.db2.gz MREFXNVMSOKXHM-SRVKXCTJSA-N 2 0 257.378 -0.115 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC001341626222 889635021 /nfs/dbraw/zinc/63/50/21/889635021.db2.gz DQTHPEKKQNQTBJ-BLFANLJRSA-N 2 0 269.389 -0.056 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](O)C[NH3+])[C@@H](C)C1 ZINC001341619467 889635105 /nfs/dbraw/zinc/63/51/05/889635105.db2.gz MREFXNVMSOKXHM-TUAOUCFPSA-N 2 0 257.378 -0.115 20 0 CBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CNCC[NH3+] ZINC001341614792 889635162 /nfs/dbraw/zinc/63/51/62/889635162.db2.gz RAKTYYTUSCOQBL-GFCCVEGCSA-N 2 0 256.394 -0.085 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC001341640631 889636244 /nfs/dbraw/zinc/63/62/44/889636244.db2.gz PLZUBYBMYCSFCU-IJLUTSLNSA-N 2 0 255.362 -0.049 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC001341640632 889636781 /nfs/dbraw/zinc/63/67/81/889636781.db2.gz PLZUBYBMYCSFCU-SRVKXCTJSA-N 2 0 255.362 -0.049 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC001341639136 889638036 /nfs/dbraw/zinc/63/80/36/889638036.db2.gz BBMJBGHAPMRDFJ-CIUDSAMLSA-N 2 0 263.288 -0.727 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1CCC[NH2+]CC1 ZINC001341660085 889641679 /nfs/dbraw/zinc/64/16/79/889641679.db2.gz RUKUDFBSAYEBQC-FRRDWIJNSA-N 2 0 266.389 -0.367 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)C[C@H]1CC[NH3+] ZINC001341664079 889642299 /nfs/dbraw/zinc/64/22/99/889642299.db2.gz PBLBMPPPGCYXAA-IJLUTSLNSA-N 2 0 255.362 -0.192 20 0 CBADRP C[C@H](CNC(=O)CNCC[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC001341662750 889643594 /nfs/dbraw/zinc/64/35/94/889643594.db2.gz MZKUSYBPJNBWPW-VXGBXAGGSA-N 2 0 256.394 -0.229 20 0 CBADRP Cc1nccn1-c1ncccc1CNC(=O)CNCC[NH3+] ZINC001341672941 889646192 /nfs/dbraw/zinc/64/61/92/889646192.db2.gz QPRZVJLVHXFSPX-UHFFFAOYSA-N 2 0 288.355 -0.260 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001341665724 889646420 /nfs/dbraw/zinc/64/64/20/889646420.db2.gz OUWUATOOOQOURC-SNVBAGLBSA-N 2 0 268.361 -0.001 20 0 CBADRP C[NH2+]CCCCC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001341673578 889646523 /nfs/dbraw/zinc/64/65/23/889646523.db2.gz GXLGMOQJIVRYDW-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001341688773 889649093 /nfs/dbraw/zinc/64/90/93/889649093.db2.gz LCVMEWQUXRGUQA-NDBYEHHHSA-N 2 0 264.373 -0.805 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001341717259 889651473 /nfs/dbraw/zinc/65/14/73/889651473.db2.gz OVFWAIWRWTZASH-AAEUAGOBSA-N 2 0 257.378 -0.053 20 0 CBADRP [NH3+]Cc1ccc2nc(C(=O)N3CC[C@H]([NH3+])C3)cn2c1 ZINC001341731958 889654762 /nfs/dbraw/zinc/65/47/62/889654762.db2.gz GGKZTTMDRJSMGC-JTQLQIEISA-N 2 0 259.313 -0.034 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC[NH2+]1 ZINC001341769630 889659979 /nfs/dbraw/zinc/65/99/79/889659979.db2.gz XVRSWOYDVMLPOU-BYNQJWBRSA-N 2 0 267.373 -0.131 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CC1CC([NH3+])C1 ZINC001341789582 889662679 /nfs/dbraw/zinc/66/26/79/889662679.db2.gz ZVHFSNINBCWZSG-VQXHTEKXSA-N 2 0 269.345 -0.523 20 0 CBADRP C[C@@H]1[NH2+]CCn2c(C(=O)N3CCNCC[NH2+]CC3)ccc21 ZINC001341840692 889670893 /nfs/dbraw/zinc/67/08/93/889670893.db2.gz QPGVTZTVTVPINY-LBPRGKRZSA-N 2 0 291.399 -0.213 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001341848612 889674282 /nfs/dbraw/zinc/67/42/82/889674282.db2.gz RHKTTWAGLLWLSQ-RYUDHWBXSA-N 2 0 255.362 -0.036 20 0 CBADRP [NH3+]CC1(C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CC(O)C1 ZINC001341980203 889695144 /nfs/dbraw/zinc/69/51/44/889695144.db2.gz DUAOMJYYENWOKG-UXUKBGGZSA-N 2 0 267.373 -0.169 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001342021532 889697537 /nfs/dbraw/zinc/69/75/37/889697537.db2.gz LYPKEHUCYLSBCJ-WOPDTQHZSA-N 2 0 255.362 -0.361 20 0 CBADRP [NH3+][C@H]1C[C@H](NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC001342064013 889705609 /nfs/dbraw/zinc/70/56/09/889705609.db2.gz DJKCZPGAQXIHKX-OPRDCNLKSA-N 2 0 264.333 -0.578 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@@H]1C[NH2+]CC12CC2 ZINC001342097488 889712646 /nfs/dbraw/zinc/71/26/46/889712646.db2.gz FOKKOLBVOQPLNK-GHMZBOCLSA-N 2 0 253.346 -0.377 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC001342126596 889713869 /nfs/dbraw/zinc/71/38/69/889713869.db2.gz QLLCLULFYPDEMQ-SRVKXCTJSA-N 2 0 265.357 -0.236 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001342124289 889714375 /nfs/dbraw/zinc/71/43/75/889714375.db2.gz LKRBEJWKWUBVNV-DMDPSCGWSA-N 2 0 255.362 -0.240 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@]3(C)C[C@H](O)C[NH2+]3)[C@H]2C1 ZINC001342147304 889719313 /nfs/dbraw/zinc/71/93/13/889719313.db2.gz KLPSHCPAYNFIQU-JNLQPACOSA-N 2 0 267.373 -0.444 20 0 CBADRP CN1CCN(C)CCN(C(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC001342157826 889723799 /nfs/dbraw/zinc/72/37/99/889723799.db2.gz YDUMCCPYXOVPFC-ZDUSSCGKSA-N 2 0 268.405 -0.180 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001342176730 889725977 /nfs/dbraw/zinc/72/59/77/889725977.db2.gz URAZDRADWKENAI-WRWGMCAJSA-N 2 0 253.346 -0.548 20 0 CBADRP [NH3+][C@H](Cc1ccccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001342186689 889729305 /nfs/dbraw/zinc/72/93/05/889729305.db2.gz FVJYJXCPICEDPK-UMSGYPCISA-N 2 0 260.341 -0.040 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC001342190678 889729537 /nfs/dbraw/zinc/72/95/37/889729537.db2.gz TYCXQLCRPWEDRZ-LOWVWBTDSA-N 2 0 252.362 -0.770 20 0 CBADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NCC1(O)C[NH2+]C1 ZINC001342190457 889729665 /nfs/dbraw/zinc/72/96/65/889729665.db2.gz MOZWJJCBDJGPMV-NSHDSACASA-N 2 0 255.362 -0.265 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)NC[C@@H]2CCCCC[NH2+]2)=NO1 ZINC001342206509 889731832 /nfs/dbraw/zinc/73/18/32/889731832.db2.gz RXJIXMHVUKFUBN-VHSXEESVSA-N 2 0 254.334 -0.262 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C2=NOC3(C2)CC[NH2+]CC3)C1 ZINC001342214279 889732449 /nfs/dbraw/zinc/73/24/49/889732449.db2.gz WLFALQZVPKCXEM-MGCOHNPYSA-N 2 0 266.345 -0.262 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001342219407 889733040 /nfs/dbraw/zinc/73/30/40/889733040.db2.gz JSTJSWDMFFJXCK-GRYCIOLGSA-N 2 0 282.388 -0.560 20 0 CBADRP O=C(N[C@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001342216423 889733903 /nfs/dbraw/zinc/73/39/03/889733903.db2.gz WRXASCNLGAEHPG-LNFKQOIKSA-N 2 0 251.330 -0.626 20 0 CBADRP [NH3+]CCNCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001342220137 889733959 /nfs/dbraw/zinc/73/39/59/889733959.db2.gz NQYWRKOHZRIZES-DTWKUNHWSA-N 2 0 282.310 -0.480 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001342236261 889735067 /nfs/dbraw/zinc/73/50/67/889735067.db2.gz BZVKLVJASOBSIB-ZDUSSCGKSA-N 2 0 268.361 -0.804 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)[C@H]1C[NH2+]CCC12CCC2 ZINC001342229928 889735398 /nfs/dbraw/zinc/73/53/98/889735398.db2.gz XHJHHSBIEAEZMZ-NWDGAFQWSA-N 2 0 267.373 -0.129 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001342223324 889735582 /nfs/dbraw/zinc/73/55/82/889735582.db2.gz XLEQBKQNSVDETR-UZWSLXQKSA-N 2 0 253.346 -0.534 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1C[NH2+]CCC12CCC2 ZINC001342229929 889736476 /nfs/dbraw/zinc/73/64/76/889736476.db2.gz XHJHHSBIEAEZMZ-RYUDHWBXSA-N 2 0 267.373 -0.129 20 0 CBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)CNCC[NH3+])CC1 ZINC001342250780 889739254 /nfs/dbraw/zinc/73/92/54/889739254.db2.gz RFOVVYNIMGXGPU-UHFFFAOYSA-N 2 0 298.431 -0.362 20 0 CBADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N[C@H]1C[NH2+]C[C@H]1O ZINC001342269222 889744229 /nfs/dbraw/zinc/74/42/29/889744229.db2.gz HFEAWPUWRQUOSF-RWMBFGLXSA-N 2 0 261.325 -0.330 20 0 CBADRP [NH3+][C@@H](CC(=O)N1NC(=O)C[C@@]12CC[NH2+]C2)C1CC1 ZINC001342291847 889750895 /nfs/dbraw/zinc/75/08/95/889750895.db2.gz SPJSHILQRPRBII-JOYOIKCWSA-N 2 0 252.318 -0.891 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC001342373708 889765596 /nfs/dbraw/zinc/76/55/96/889765596.db2.gz IMOSHXUIWRLVCZ-NEPJUHHUSA-N 2 0 268.405 -0.216 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CCCC[NH2+]1 ZINC001342416125 889770893 /nfs/dbraw/zinc/77/08/93/889770893.db2.gz NZHCGNYGNDCYAV-WZRBSPASSA-N 2 0 255.362 -0.131 20 0 CBADRP CCN(C(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C)[C@H]1CC[NH2+]C1 ZINC001342476720 889781414 /nfs/dbraw/zinc/78/14/14/889781414.db2.gz VVUWXJAMOVUPOQ-AGIUHOORSA-N 2 0 266.389 -0.415 20 0 CBADRP COC[C@@]1(C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)CC[NH2+]C1 ZINC001342514788 889786748 /nfs/dbraw/zinc/78/67/48/889786748.db2.gz WKYISYNGWDVBPJ-YRGRVCCFSA-N 2 0 269.389 -0.026 20 0 CBADRP CC1(C)CN(C(=O)C[NH2+]C[C@H]2CCCO2)C[C@H]1[NH3+] ZINC001342507418 889787229 /nfs/dbraw/zinc/78/72/29/889787229.db2.gz YURXQBQOCUDOCP-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC001342572019 889794688 /nfs/dbraw/zinc/79/46/88/889794688.db2.gz HNYBOOWRBVHTQZ-CWSCBRNRSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC[N@@H+]1C ZINC001342571211 889795176 /nfs/dbraw/zinc/79/51/76/889795176.db2.gz VLVWOWVHKXTEQO-NMKXLXIOSA-N 2 0 267.373 -0.179 20 0 CBADRP CC1(C)CN(C(=O)COC2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001342572621 889795665 /nfs/dbraw/zinc/79/56/65/889795665.db2.gz LQJVRTJWBSZPBL-LLVKDONJSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]1[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC[N@@H+]1C ZINC001342571213 889795800 /nfs/dbraw/zinc/79/58/00/889795800.db2.gz VLVWOWVHKXTEQO-OPDFLTKYSA-N 2 0 267.373 -0.179 20 0 CBADRP CC[C@@H]([NH3+])C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001342597378 889798944 /nfs/dbraw/zinc/79/89/44/889798944.db2.gz KSGYPRDAYZFZTR-GFCCVEGCSA-N 2 0 256.394 -0.085 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCNCC[NH2+]CC1 ZINC001342613859 889800646 /nfs/dbraw/zinc/80/06/46/889800646.db2.gz FJVQAFRRONSKGY-VXGBXAGGSA-N 2 0 254.378 -0.747 20 0 CBADRP O=C([C@H]1C[NH2+]CCC12CCC2)N1CCNCC[NH2+]CC1 ZINC001342620902 889802084 /nfs/dbraw/zinc/80/20/84/889802084.db2.gz DDOKKPKMUZQXSE-CYBMUJFWSA-N 2 0 280.416 -0.212 20 0 CBADRP CN[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)c1cnn(C)c1 ZINC001342650823 889811322 /nfs/dbraw/zinc/81/13/22/889811322.db2.gz UYQFSTZYMLILOL-USWWRNFRSA-N 2 0 265.361 -0.111 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001342664348 889813372 /nfs/dbraw/zinc/81/33/72/889813372.db2.gz OJEWGYLSJPHGEF-SCRDCRAPSA-N 2 0 267.373 -0.441 20 0 CBADRP CCO[C@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])C[NH+](C)C ZINC001342666872 889813164 /nfs/dbraw/zinc/81/31/64/889813164.db2.gz SPUNVGPRFNSHQF-OUAUKWLOSA-N 2 0 259.350 -0.815 20 0 CBADRP O=C(CC[C@@H]1CC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC001342705445 889818498 /nfs/dbraw/zinc/81/84/98/889818498.db2.gz UPOXKARGZDCARF-GFCCVEGCSA-N 2 0 254.378 -0.603 20 0 CBADRP C[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC[C@H]1C[NH3+] ZINC001342738236 889824953 /nfs/dbraw/zinc/82/49/53/889824953.db2.gz KRKDVFFRHLUWRI-KXUCPTDWSA-N 2 0 254.334 -0.467 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1CCOC ZINC001342992069 889850643 /nfs/dbraw/zinc/85/06/43/889850643.db2.gz FWAGZOLPWLYSAU-GHMZBOCLSA-N 2 0 259.350 -0.813 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001342817204 889833244 /nfs/dbraw/zinc/83/32/44/889833244.db2.gz USNRWVSBTDQOGB-YYHQMBLXSA-N 2 0 269.389 -0.341 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC001342853733 889834895 /nfs/dbraw/zinc/83/48/95/889834895.db2.gz WNPHQCXFYHKRQK-SGMGOOAPSA-N 2 0 268.405 -0.005 20 0 CBADRP [NH3+][C@H]1C[C@@H](NC(=O)C2CC3(C2)C[C@H]([NH3+])CCO3)C1 ZINC001342844707 889835483 /nfs/dbraw/zinc/83/54/83/889835483.db2.gz XFFSMXWCIFULGZ-PFVDFNESSA-N 2 0 253.346 -0.121 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001342959159 889848545 /nfs/dbraw/zinc/84/85/45/889848545.db2.gz JFGMAHFJVLGCJT-TUAOUCFPSA-N 2 0 257.378 -0.149 20 0 CBADRP COCC[NH2+]CC(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001343039827 889857406 /nfs/dbraw/zinc/85/74/06/889857406.db2.gz BPWRAAICJPFVGH-UHFFFAOYSA-N 2 0 255.362 -0.129 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001343036617 889857555 /nfs/dbraw/zinc/85/75/55/889857555.db2.gz FVTVIWFSLWTVQE-LOWVWBTDSA-N 2 0 255.362 -0.288 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC001343038675 889859156 /nfs/dbraw/zinc/85/91/56/889859156.db2.gz RHIFSLVBECXDDJ-BJDJZHNGSA-N 2 0 257.378 -0.211 20 0 CBADRP C[NH+]1CCC(NC(=O)[C@H]2[NH2+]CC23CCOCC3)CC1 ZINC001343078354 889863706 /nfs/dbraw/zinc/86/37/06/889863706.db2.gz CJJSWDFAYXWCHO-GFCCVEGCSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+][C@@H]1C[C@@H](NC(=O)C[C@@H]2COCC[NH2+]2)C12CCC2 ZINC001343203411 889876166 /nfs/dbraw/zinc/87/61/66/889876166.db2.gz YCSQKXRHNDSSFS-GMTAPVOTSA-N 2 0 253.346 -0.249 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001343391022 889900359 /nfs/dbraw/zinc/90/03/59/889900359.db2.gz CLEXFHWVDRFSLZ-AWEZNQCLSA-N 2 0 287.404 -0.425 20 0 CBADRP [NH3+]CC1(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC(O)C1 ZINC001343392689 889900506 /nfs/dbraw/zinc/90/05/06/889900506.db2.gz RMRQNHPTLGCLQT-QZPOHEPASA-N 2 0 267.373 -0.171 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001343407693 889904045 /nfs/dbraw/zinc/90/40/45/889904045.db2.gz JNIKFMHYSOITMC-XSRFYTQQSA-N 2 0 255.362 -0.456 20 0 CBADRP C[NH+]1CCN(CCNC(=O)CCSCCC[NH3+])CC1 ZINC001343444079 889908870 /nfs/dbraw/zinc/90/88/70/889908870.db2.gz CTGUPIVVSRRNFW-UHFFFAOYSA-N 2 0 288.461 -0.178 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001343466517 889915173 /nfs/dbraw/zinc/91/51/73/889915173.db2.gz HEITXHQCKPQNKB-GMXVVIOVSA-N 2 0 255.362 -0.585 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC001343468027 889915343 /nfs/dbraw/zinc/91/53/43/889915343.db2.gz QJQIIKFKPHEABU-ZDEQEGDKSA-N 2 0 266.389 -0.524 20 0 CBADRP C[C@]1(CNC(=O)C[C@]2(O)CCC[NH2+]C2)CCC[NH2+]C1 ZINC001343469497 889915566 /nfs/dbraw/zinc/91/55/66/889915566.db2.gz ZQILZOLMMYBVQK-UONOGXRCSA-N 2 0 269.389 -0.003 20 0 CBADRP C[C@]1(C(=O)NCC2(C)CC[NH2+]CC2)C[C@H](O)C[NH2+]1 ZINC001343466081 889916197 /nfs/dbraw/zinc/91/61/97/889916197.db2.gz CNCVSFPGYVHQKG-GXFFZTMASA-N 2 0 255.362 -0.395 20 0 CBADRP C[C@@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)[C@@H]1C[N@H+](C)CCN1C ZINC001343487594 889919039 /nfs/dbraw/zinc/91/90/39/889919039.db2.gz FHGWEDGSMNDTMS-RNJOBUHISA-N 2 0 268.405 -0.265 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001343506652 889924912 /nfs/dbraw/zinc/92/49/12/889924912.db2.gz RYKDRPPRCLTTQD-RYUDHWBXSA-N 2 0 296.415 -0.312 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001343507190 889925720 /nfs/dbraw/zinc/92/57/20/889925720.db2.gz HUDNGEUWGOAETM-VXGBXAGGSA-N 2 0 269.389 -0.067 20 0 CBADRP CC[NH2+]CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001343566108 889933070 /nfs/dbraw/zinc/93/30/70/889933070.db2.gz FBBGLGKRGRFCEY-VXGBXAGGSA-N 2 0 255.362 -0.347 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC001343568547 889936331 /nfs/dbraw/zinc/93/63/31/889936331.db2.gz KHNMJMVZBMPHLJ-GFCCVEGCSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH2+]C1(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)CCC1 ZINC001343582222 889936545 /nfs/dbraw/zinc/93/65/45/889936545.db2.gz JJMZWSRNNRYWOV-VXGBXAGGSA-N 2 0 268.405 -0.121 20 0 CBADRP C[NH2+]CCCC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001343592899 889939323 /nfs/dbraw/zinc/93/93/23/889939323.db2.gz SOSYXYBLQWCNFL-GXTWGEPZSA-N 2 0 285.388 -0.672 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)[C@H]3C[NH2+]CCO3)[C@@H]2C1 ZINC001343683705 889946715 /nfs/dbraw/zinc/94/67/15/889946715.db2.gz QGLAOGLRPZUICZ-IRCOFANPSA-N 2 0 253.346 -0.569 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CCC3(CC[NH2+]3)CC2)C1=O ZINC001343700110 889951295 /nfs/dbraw/zinc/95/12/95/889951295.db2.gz LSKFPTPXXHKARN-LBPRGKRZSA-N 2 0 294.399 -0.462 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)[C@@H]1C[NH2+]CCN1C ZINC001343931579 889982466 /nfs/dbraw/zinc/98/24/66/889982466.db2.gz AXILXXMUWILHHH-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001343974473 889985296 /nfs/dbraw/zinc/98/52/96/889985296.db2.gz RJDIWADASDTSDJ-SNVBAGLBSA-N 2 0 270.377 -0.621 20 0 CBADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001344094190 890003469 /nfs/dbraw/zinc/00/34/69/890003469.db2.gz YRINHMJOJZXKPW-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C[NH2+]1 ZINC001344356107 890015701 /nfs/dbraw/zinc/01/57/01/890015701.db2.gz ATJNAIXVKIRNIP-SFTQSGBHSA-N 2 0 267.373 -0.131 20 0 CBADRP [NH3+][C@H](CC1CC1)C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001344373386 890020102 /nfs/dbraw/zinc/02/01/02/890020102.db2.gz FHNMCXTXBNSGOM-VXGBXAGGSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@]1(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C[C@@H](O)C[NH2+]1 ZINC001344422441 890025239 /nfs/dbraw/zinc/02/52/39/890025239.db2.gz UCTNSGBLKYNXOH-MISXGVKJSA-N 2 0 269.389 -0.006 20 0 CBADRP C[C@@]1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](O)C[NH2+]1 ZINC001344447312 890025964 /nfs/dbraw/zinc/02/59/64/890025964.db2.gz FJKSLOOGEFVDHW-ZUDIRPEPSA-N 2 0 267.373 -0.254 20 0 CBADRP CCC[NH2+][C@@H](C)C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001344439240 890026782 /nfs/dbraw/zinc/02/67/82/890026782.db2.gz VXMRKQCHLXIMGJ-JOYOIKCWSA-N 2 0 254.334 -0.630 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC001344709242 890055893 /nfs/dbraw/zinc/05/58/93/890055893.db2.gz XLGUTSLWAUBBST-JSGCOSHPSA-N 2 0 266.389 -0.475 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC001344747985 890058882 /nfs/dbraw/zinc/05/88/82/890058882.db2.gz PQWFKWZMRPBKSZ-UTUOFQBUSA-N 2 0 266.389 -0.430 20 0 CBADRP [NH3+]CCNCC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001344778095 890064424 /nfs/dbraw/zinc/06/44/24/890064424.db2.gz PKMQXRZWRGINNG-MNOVXSKESA-N 2 0 272.418 -0.769 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001344849049 890072803 /nfs/dbraw/zinc/07/28/03/890072803.db2.gz YLPXJTNSGLVOHA-RNCFNFMXSA-N 2 0 263.345 -0.422 20 0 CBADRP [NH3+]CC1(C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)CC(O)C1 ZINC001344912640 890082186 /nfs/dbraw/zinc/08/21/86/890082186.db2.gz YCUQPPOQENIGHL-BGZAYEDQSA-N 2 0 267.373 -0.265 20 0 CBADRP C[NH2+]CCC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001344933098 890085228 /nfs/dbraw/zinc/08/52/28/890085228.db2.gz ZAOJVMGCMZHDEZ-JTQLQIEISA-N 2 0 269.345 -0.603 20 0 CBADRP C[C@@H]1CN(C(=O)c2c(C[NH3+])cnn2C)CC[C@H]1C[NH3+] ZINC001345010809 890090840 /nfs/dbraw/zinc/09/08/40/890090840.db2.gz KZLBLXWVUMGLLL-ZJUUUORDSA-N 2 0 265.361 -0.064 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC001345163205 890105215 /nfs/dbraw/zinc/10/52/15/890105215.db2.gz ACARZXYLMVAMCP-QJPTWQEYSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001345359166 890121967 /nfs/dbraw/zinc/12/19/67/890121967.db2.gz OPAZVXPTQZARKM-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)[C@]3(C)C[C@H](O)C[NH2+]3)C[C@]2(C)C1 ZINC001345391781 890124443 /nfs/dbraw/zinc/12/44/43/890124443.db2.gz MFNGQWBVZFAFCA-XWUBHJNHSA-N 2 0 267.373 -0.491 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001345501071 890137408 /nfs/dbraw/zinc/13/74/08/890137408.db2.gz JGPSEEQZOMELLL-OFTGVCEQSA-N 2 0 264.373 -0.616 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001345512829 890138258 /nfs/dbraw/zinc/13/82/58/890138258.db2.gz DIHIYFCJDAADMW-WISYIIOYSA-N 2 0 253.346 -0.236 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[NH2+]C1 ZINC001345500476 890138391 /nfs/dbraw/zinc/13/83/91/890138391.db2.gz FXWPAVRCKKDDFJ-WGBDABJCSA-N 2 0 253.346 -0.378 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2CCCCC[NH2+]2)C[C@H](O)C[NH2+]1 ZINC001345525688 890138660 /nfs/dbraw/zinc/13/86/60/890138660.db2.gz MBBDZEVIAAOKAS-NTZNESFSSA-N 2 0 255.362 -0.252 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCOC2)CC1 ZINC001345604579 890146624 /nfs/dbraw/zinc/14/66/24/890146624.db2.gz CDBHESFPPZOSLU-CHWSQXEVSA-N 2 0 257.378 -0.779 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(C[NH3+])o1 ZINC001345646416 890148813 /nfs/dbraw/zinc/14/88/13/890148813.db2.gz MDULHHHOZPQXDH-VIFPVBQESA-N 2 0 253.302 -0.201 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C1CC[NH2+]CC1 ZINC001345767612 890161322 /nfs/dbraw/zinc/16/13/22/890161322.db2.gz WEPVENDPOACSMP-GFCCVEGCSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC001345829694 890169577 /nfs/dbraw/zinc/16/95/77/890169577.db2.gz DSCOXSWJFAQYHT-VIFPVBQESA-N 2 0 254.338 -0.658 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC001345826869 890169682 /nfs/dbraw/zinc/16/96/82/890169682.db2.gz XEIRUJYCBWXAIA-GHMZBOCLSA-N 2 0 253.346 -0.438 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001345911094 890177250 /nfs/dbraw/zinc/17/72/50/890177250.db2.gz HQPDTNWTEXAMDI-LPWJVIDDSA-N 2 0 296.415 -0.301 20 0 CBADRP CC[C@]1(C(=O)N2CCC(O)(C[NH3+])CC2)CC[NH2+]C1 ZINC001345904536 890177450 /nfs/dbraw/zinc/17/74/50/890177450.db2.gz PRZBIOYZRPJPCL-LBPRGKRZSA-N 2 0 255.362 -0.312 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001345904047 890177991 /nfs/dbraw/zinc/17/79/91/890177991.db2.gz NXXLNHXQOFZMIU-BSJXLVFVSA-N 2 0 265.361 -0.344 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001345913106 890179847 /nfs/dbraw/zinc/17/98/47/890179847.db2.gz RISDOTVFRBMQKC-AULYBMBSSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH2+][C@H]1CCN(C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001345944725 890182318 /nfs/dbraw/zinc/18/23/18/890182318.db2.gz VDEHKEYTXSFFJP-NEPJUHHUSA-N 2 0 254.378 -0.523 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC001345927122 890182431 /nfs/dbraw/zinc/18/24/31/890182431.db2.gz PSBDQORCMAUOLG-UMSPYCQHSA-N 2 0 294.399 -0.417 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC001345943606 890183489 /nfs/dbraw/zinc/18/34/89/890183489.db2.gz KPUJXDDDKPTJPX-STQMWFEESA-N 3 0 268.405 -0.146 20 0 CBADRP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001345955146 890185871 /nfs/dbraw/zinc/18/58/71/890185871.db2.gz CGJLIMSAEUUAKS-TZMCWYRMSA-N 3 0 268.405 -0.146 20 0 CBADRP C[NH2+][C@@H](C(=O)N1CC[C@](C)(C[NH3+])C1)c1cnn(C)c1 ZINC001346028353 890198903 /nfs/dbraw/zinc/19/89/03/890198903.db2.gz FYSGMLLCFCYIDK-DGCLKSJQSA-N 2 0 265.361 -0.122 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001346048190 890205057 /nfs/dbraw/zinc/20/50/57/890205057.db2.gz KSTGJGGPQYZCOG-NEPJUHHUSA-N 2 0 267.373 -0.129 20 0 CBADRP [NH3+]C[C@H]1CCCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001346056545 890205832 /nfs/dbraw/zinc/20/58/32/890205832.db2.gz AHQWPQGTCCDWKM-YPMHNXCESA-N 2 0 255.362 -0.312 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)c2ccn(CCC[NH3+])n2)C1 ZINC001346057577 890207191 /nfs/dbraw/zinc/20/71/91/890207191.db2.gz PRONYLUWTYSZOE-SNVBAGLBSA-N 2 0 251.334 -0.334 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001346056756 890208096 /nfs/dbraw/zinc/20/80/96/890208096.db2.gz BZXKYSSJQSXNRI-GFCCVEGCSA-N 2 0 282.388 -0.606 20 0 CBADRP Cc1cn(C(C)(C)C(=O)NC[C@@H](CO)[NH2+]CCF)cn1 ZINC001448858751 913427620 /nfs/dbraw/zinc/42/76/20/913427620.db2.gz DRSRMXDXWJCXTH-NSHDSACASA-N 2 0 286.351 -0.037 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001346164291 890227766 /nfs/dbraw/zinc/22/77/66/890227766.db2.gz WTTBJVQDNSFKLC-XPOXDWOYSA-N 2 0 252.362 -0.724 20 0 CBADRP [NH3+]CCCC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001346208754 890237605 /nfs/dbraw/zinc/23/76/05/890237605.db2.gz BECIXIIUCXPCER-VXGBXAGGSA-N 2 0 255.362 -0.217 20 0 CBADRP C[N@@H+]1CCCN(CCC[NH2+]C[C@H](O)C2(O)CCC2)CC1 ZINC001346202924 890238371 /nfs/dbraw/zinc/23/83/71/890238371.db2.gz CWVVFOSMXMUGCL-AWEZNQCLSA-N 2 0 285.432 -0.121 20 0 CBADRP [NH3+]CCCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001346208747 890240158 /nfs/dbraw/zinc/24/01/58/890240158.db2.gz BECIXIIUCXPCER-NEPJUHHUSA-N 2 0 255.362 -0.217 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1C[N@H+](C)CCN1C ZINC001346228924 890246867 /nfs/dbraw/zinc/24/68/67/890246867.db2.gz OBQLAUZNPILTOB-WOPDTQHZSA-N 2 0 254.378 -0.511 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@H]1C[N@H+](C)CCN1C ZINC001346228921 890247767 /nfs/dbraw/zinc/24/77/67/890247767.db2.gz OBQLAUZNPILTOB-SDDRHHMPSA-N 2 0 254.378 -0.511 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC001346321408 890267464 /nfs/dbraw/zinc/26/74/64/890267464.db2.gz VKPOBEUZSUQERN-VXGBXAGGSA-N 2 0 256.394 -0.147 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC001346318844 890268562 /nfs/dbraw/zinc/26/85/62/890268562.db2.gz HWPZNHQXNHAIPB-CYBMUJFWSA-N 2 0 268.405 -0.260 20 0 CBADRP C[NH+](C)[C@@H]1C[C@@H]([NH2+]CCC(=O)NC(N)=O)C1(C)C ZINC001346367944 890278192 /nfs/dbraw/zinc/27/81/92/890278192.db2.gz URHCICSQEJXRCQ-RKDXNWHRSA-N 2 0 256.350 -0.110 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC001346406724 890285051 /nfs/dbraw/zinc/28/50/51/890285051.db2.gz CSUOMXWZJOLEJP-HAQNSBGRSA-N 2 0 273.377 -0.423 20 0 CBADRP C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001448866148 913435968 /nfs/dbraw/zinc/43/59/68/913435968.db2.gz QSATVQRRBHFYNY-NEPJUHHUSA-N 2 0 285.388 -0.938 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)N2CCNCC[NH2+]CC2)CC[NH2+]1 ZINC001346490633 890304302 /nfs/dbraw/zinc/30/43/02/890304302.db2.gz OVYNYQKDWNIYPL-NEPJUHHUSA-N 2 0 269.393 -0.669 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)N2CCNCC[NH2+]CC2)CC[NH2+]1 ZINC001346490640 890304748 /nfs/dbraw/zinc/30/47/48/890304748.db2.gz OVYNYQKDWNIYPL-VXGBXAGGSA-N 2 0 269.393 -0.669 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCC1([NH3+])CCOCC1 ZINC001346513595 890311129 /nfs/dbraw/zinc/31/11/29/890311129.db2.gz RAJFWJBIYNOUIQ-NXEZZACHSA-N 2 0 256.350 -0.599 20 0 CBADRP C[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC001346519454 890314861 /nfs/dbraw/zinc/31/48/61/890314861.db2.gz XNSAXDKDOZJLIG-BJHJDKERSA-N 2 0 296.415 -0.347 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)NCCC(C)(C)[NH3+] ZINC001346537959 890319457 /nfs/dbraw/zinc/31/94/57/890319457.db2.gz MRYFZALORWRWSF-JTQLQIEISA-N 2 0 258.366 -0.256 20 0 CBADRP CCO[C@H](CNC(=O)N1CC[NH2+]CC1)C[NH+](C)C ZINC001346584537 890324190 /nfs/dbraw/zinc/32/41/90/890324190.db2.gz OGOSXZIIHNVNFE-LLVKDONJSA-N 2 0 258.366 -0.432 20 0 CBADRP CCN(C(=O)[C@H](C)[C@H](O)C[NH2+]C)[C@H]1CCC[NH2+]C1 ZINC001346561578 890324243 /nfs/dbraw/zinc/32/42/43/890324243.db2.gz VBKANMRUIQEBSC-GRYCIOLGSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)CC[NH+](C)C ZINC001346611697 890332256 /nfs/dbraw/zinc/33/22/56/890332256.db2.gz LULZJFXQDBAESR-NWDGAFQWSA-N 2 0 254.378 -0.605 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC1([NH3+])CC1 ZINC001346633363 890334355 /nfs/dbraw/zinc/33/43/55/890334355.db2.gz OSOAISYPWPBTLF-JTQLQIEISA-N 2 0 255.366 -0.977 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCCCO1 ZINC001448888671 913444062 /nfs/dbraw/zinc/44/40/62/913444062.db2.gz MBXFOPBUISDIDN-STQMWFEESA-N 2 0 287.404 -0.426 20 0 CBADRP CC(C)(C(=O)NC[C@@H](CO)[NH2+]CCF)[NH+]1CCCC1 ZINC001448891127 913445382 /nfs/dbraw/zinc/44/53/82/913445382.db2.gz QTNXQQPWBJDHEG-NSHDSACASA-N 2 0 275.368 -0.103 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC(C)(C)C[NH+](C)C ZINC001347033774 890387994 /nfs/dbraw/zinc/38/79/94/890387994.db2.gz CEWXRCRRKUDYEP-NEPJUHHUSA-N 2 0 268.405 -0.169 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC(C)(C)C[NH+](C)C ZINC001347033775 890388878 /nfs/dbraw/zinc/38/88/78/890388878.db2.gz CEWXRCRRKUDYEP-NWDGAFQWSA-N 2 0 268.405 -0.169 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)c1cn(CC[NH3+])nn1 ZINC001347061480 890396009 /nfs/dbraw/zinc/39/60/09/890396009.db2.gz OOMSDTPIEZFPRL-UHFFFAOYSA-N 2 0 254.338 -0.706 20 0 CBADRP C[NH+]1CCC(CC(=O)NC[C@H](CO)[NH2+]CCF)CC1 ZINC001448911568 913455844 /nfs/dbraw/zinc/45/58/44/913455844.db2.gz NZYYDMOVCJIUSK-GFCCVEGCSA-N 2 0 275.368 -0.246 20 0 CBADRP C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)[C@@H]1CCO ZINC001347144807 890415730 /nfs/dbraw/zinc/41/57/30/890415730.db2.gz BJUPCLCWTJLGBC-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP CC(C)[NH2+]CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001347147978 890416465 /nfs/dbraw/zinc/41/64/65/890416465.db2.gz JUUKCQYAXVWGSB-NWDGAFQWSA-N 2 0 265.361 -0.329 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C[C@@H]([NH3+])C2CC2)n1 ZINC001347156875 890418543 /nfs/dbraw/zinc/41/85/43/890418543.db2.gz DOAPLTRKVBMPGG-SECBINFHSA-N 2 0 265.317 -0.616 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC001347167116 890421294 /nfs/dbraw/zinc/42/12/94/890421294.db2.gz IPGULKACWUYJLU-VIFPVBQESA-N 2 0 254.338 -0.645 20 0 CBADRP C[C@H](C(=O)N1CC[C@@](O)(C[NH+](C)C)C1)n1ccnc1 ZINC001347930549 890536646 /nfs/dbraw/zinc/53/66/46/890536646.db2.gz GXCRTSVAXSIDKE-DGCLKSJQSA-N 2 0 266.345 -0.031 20 0 CBADRP CC[NH+]1CCN(C2CN(C(=O)[C@H](C)[NH+](C)C)C2)CC1 ZINC001347915967 890536693 /nfs/dbraw/zinc/53/66/93/890536693.db2.gz RBEXQWXOGONKGJ-LBPRGKRZSA-N 2 0 268.405 -0.215 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]C[C@@H]1CCCOC1 ZINC001448962085 913470365 /nfs/dbraw/zinc/47/03/65/913470365.db2.gz ZKVWBXHSMIZGQX-KBPBESRZSA-N 2 0 299.415 -0.425 20 0 CBADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001348319695 890596599 /nfs/dbraw/zinc/59/65/99/890596599.db2.gz JKBVCJYVWGSZCH-GHMZBOCLSA-N 2 0 280.372 -0.935 20 0 CBADRP C(C[NH+]1CCC(N[C@@H]2CC[NH2+]C2)CC1)N1CCOCC1 ZINC001348437509 890623985 /nfs/dbraw/zinc/62/39/85/890623985.db2.gz YQZWUKVPIDRXJA-OAHLLOKOSA-N 2 0 282.432 -0.266 20 0 CBADRP [NH3+]CCCOCC[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC001348448463 890626640 /nfs/dbraw/zinc/62/66/40/890626640.db2.gz YQIPRNVDISGZQL-LBPRGKRZSA-N 3 0 272.393 -0.861 20 0 CBADRP [NH3+]CCCOCC[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC001348448462 890626653 /nfs/dbraw/zinc/62/66/53/890626653.db2.gz YQIPRNVDISGZQL-GFCCVEGCSA-N 3 0 272.393 -0.861 20 0 CBADRP CC1(C)CC[NH2+]CCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001348838126 890710455 /nfs/dbraw/zinc/71/04/55/890710455.db2.gz WBQNLHGJQOBALY-SECBINFHSA-N 2 0 254.334 -0.310 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001348958829 890737715 /nfs/dbraw/zinc/73/77/15/890737715.db2.gz YOZVUZSJIMVIJM-ZBFHGGJFSA-N 3 0 296.459 -0.331 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCCn2ccnc2)CC1 ZINC001348956741 890738486 /nfs/dbraw/zinc/73/84/86/890738486.db2.gz BMCLUXKWJZQMMV-HNNXBMFYSA-N 2 0 295.431 -0.139 20 0 CBADRP C[NH+]1CC[C@@H](C(=O)NCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001349024600 890747512 /nfs/dbraw/zinc/74/75/12/890747512.db2.gz OCEZUMQECFZOQM-TXEJJXNPSA-N 2 0 282.388 -0.878 20 0 CBADRP C[NH+]1CC[C@H](C(=O)NCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001349024598 890748083 /nfs/dbraw/zinc/74/80/83/890748083.db2.gz OCEZUMQECFZOQM-RYUDHWBXSA-N 2 0 282.388 -0.878 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCCNC(=O)C[NH+]2CCCC2)C1 ZINC001349028428 890749843 /nfs/dbraw/zinc/74/98/43/890749843.db2.gz DPESETBJQCLLAS-CYBMUJFWSA-N 2 0 296.415 -0.344 20 0 CBADRP CC[NH+](CC)CC(=O)NCCNC(=O)C[NH+]1CCCC1 ZINC001349028779 890751415 /nfs/dbraw/zinc/75/14/15/890751415.db2.gz JKJRBHCQAKPJST-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP C[NH+](C)CCC(=O)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001349069542 890754523 /nfs/dbraw/zinc/75/45/23/890754523.db2.gz KIKFXZFAHBJODQ-CYBMUJFWSA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH+]1CC=CC1 ZINC001349075563 890756697 /nfs/dbraw/zinc/75/66/97/890756697.db2.gz XDGTUNIKBCJPDG-STQMWFEESA-N 2 0 264.373 -0.637 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)nn1 ZINC001349156678 890766721 /nfs/dbraw/zinc/76/67/21/890766721.db2.gz XWPAAQIAALZTRD-NEPJUHHUSA-N 2 0 292.387 -0.017 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC001349214433 890776320 /nfs/dbraw/zinc/77/63/20/890776320.db2.gz FYKYNRNAZJQFML-CYBMUJFWSA-N 2 0 263.345 -0.134 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N[C@H]1CC12CC[NH2+]CC2 ZINC001349227834 890780913 /nfs/dbraw/zinc/78/09/13/890780913.db2.gz MGXKOCZAMARVMA-QWRGUYRKSA-N 2 0 253.346 -0.377 20 0 CBADRP C[C@@H](CCCC[NH3+])NC(=O)c1cn(CCC[NH3+])nn1 ZINC001349226328 890781034 /nfs/dbraw/zinc/78/10/34/890781034.db2.gz CBZOOXBNOLKDIX-JTQLQIEISA-N 2 0 268.365 -0.126 20 0 CBADRP C/C(=C\C(=O)NC[C@@H]1CC[N@H+]1C)C(=O)NC[C@H]1CC[NH+]1C ZINC001349300602 890789037 /nfs/dbraw/zinc/78/90/37/890789037.db2.gz SFUHHJILIQHDMH-UAIPSJAGSA-N 2 0 294.399 -0.427 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001349317461 890794847 /nfs/dbraw/zinc/79/48/47/890794847.db2.gz CEDBIKIVEOKYIF-NXEZZACHSA-N 2 0 266.345 -0.747 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]([NH2+]C)c2cnn(C)c2)C1 ZINC001349372501 890803276 /nfs/dbraw/zinc/80/32/76/890803276.db2.gz NUQBTIGGEVXWMV-CMPLNLGQSA-N 2 0 265.361 -0.252 20 0 CBADRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC001349399107 890805007 /nfs/dbraw/zinc/80/50/07/890805007.db2.gz WEYUTZWQEFAGSN-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP CC(=O)N(C)C1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC001349389049 890805823 /nfs/dbraw/zinc/80/58/23/890805823.db2.gz IESZXLQBBBYMIA-UHFFFAOYSA-N 2 0 268.405 -0.166 20 0 CBADRP O=C(NCC1=CC[NH2+]CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC001349417250 890808371 /nfs/dbraw/zinc/80/83/71/890808371.db2.gz DSHRMMXAQBWLNG-UHFFFAOYSA-N 2 0 289.383 -0.002 20 0 CBADRP CN1CC[NH+](C2CCN(C(=O)C(C)(C)[NH3+])CC2)CC1 ZINC001349587175 890841368 /nfs/dbraw/zinc/84/13/68/890841368.db2.gz YSJPFYWLUIVLCX-UHFFFAOYSA-N 2 0 268.405 -0.038 20 0 CBADRP CN(CCOCC[NH3+])C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001349613297 890849287 /nfs/dbraw/zinc/84/92/87/890849287.db2.gz ZSTQNKHRUBYHEX-SNVBAGLBSA-N 2 0 281.360 -0.466 20 0 CBADRP COCCC1(NC(=O)[C@H](C[NH3+])OC)CC[NH2+]CC1 ZINC001349817536 890900845 /nfs/dbraw/zinc/90/08/45/890900845.db2.gz JRDKXUQPTFWBKC-JTQLQIEISA-N 2 0 259.350 -0.765 20 0 CBADRP CC1(C)[C@H](NC(=O)COCC[NH3+])[C@H]2CCC[NH2+][C@H]21 ZINC001349841890 890904832 /nfs/dbraw/zinc/90/48/32/890904832.db2.gz ZLPPPTDJFBGGDW-MVWJERBFSA-N 2 0 255.362 -0.146 20 0 CBADRP CCN(C(=O)CO[C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC001349909140 890911810 /nfs/dbraw/zinc/91/18/10/890911810.db2.gz USMMPTFCUIKUGR-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001349907657 890912632 /nfs/dbraw/zinc/91/26/32/890912632.db2.gz NQQRFZKMMNSEQJ-YUMQZZPRSA-N 2 0 251.277 -0.679 20 0 CBADRP O=C(C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC001350092298 890937983 /nfs/dbraw/zinc/93/79/83/890937983.db2.gz HEHUGPPRJGVDNZ-STQMWFEESA-N 2 0 267.373 -0.081 20 0 CBADRP CC(C)([NH3+])CCNC(=O)NCCCN1CC[NH2+]CC1 ZINC001350213146 890948450 /nfs/dbraw/zinc/94/84/50/890948450.db2.gz CGOKVDVPHPCZDG-UHFFFAOYSA-N 2 0 271.409 -0.292 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC001350224131 890949628 /nfs/dbraw/zinc/94/96/28/890949628.db2.gz SPVTVLIIRLMEJI-AOOOYVTPSA-N 2 0 254.334 -0.893 20 0 CBADRP C[NH+](C)C1CN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC001350588363 891012777 /nfs/dbraw/zinc/01/27/77/891012777.db2.gz GNOJMAOOQHQPDV-CYBMUJFWSA-N 2 0 255.362 -0.394 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@H](Cn3ccnn3)C2)C1 ZINC001350910294 891067359 /nfs/dbraw/zinc/06/73/59/891067359.db2.gz PARDIKSCWZGPLS-BJDJZHNGSA-N 2 0 251.334 -0.549 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)CCC[NH+](C)C ZINC001351731694 891178902 /nfs/dbraw/zinc/17/89/02/891178902.db2.gz NDNNGORECGWPLF-STQMWFEESA-N 2 0 268.405 -0.215 20 0 CBADRP c1c(C[NH2+]CC2CC2)nnn1C[C@H]1C[NH2+]CCO1 ZINC001351756903 891181377 /nfs/dbraw/zinc/18/13/77/891181377.db2.gz PXOIZKYJTOEIHY-GFCCVEGCSA-N 2 0 251.334 -0.234 20 0 CBADRP [NH3+]CC1(O)CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC001351798636 891189375 /nfs/dbraw/zinc/18/93/75/891189375.db2.gz AUNKLXCNGSZVLO-JTQLQIEISA-N 2 0 251.334 -0.449 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21)C(F)(F)F ZINC001352095099 891226702 /nfs/dbraw/zinc/22/67/02/891226702.db2.gz IARLZWTUPPFCQC-RULNZFCNSA-N 2 0 251.252 -0.010 20 0 CBADRP [NH3+]C1(CNC2CC[NH+](CCN3CCOCC3)CC2)CC1 ZINC001352762660 891290804 /nfs/dbraw/zinc/29/08/04/891290804.db2.gz XGKJNVMPOKVQDD-UHFFFAOYSA-N 2 0 282.432 -0.136 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC001352824345 891302894 /nfs/dbraw/zinc/30/28/94/891302894.db2.gz LEWPMPSTHUUBEX-SECBINFHSA-N 2 0 251.334 -0.392 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)nn1 ZINC001352865345 891312805 /nfs/dbraw/zinc/31/28/05/891312805.db2.gz YYFZKABFDQAJRH-CMPLNLGQSA-N 2 0 264.333 -0.749 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC1CC[NH2+]CC1 ZINC001352990428 891338319 /nfs/dbraw/zinc/33/83/19/891338319.db2.gz ZXKGOTWYDCDKSA-YPMHNXCESA-N 2 0 266.389 -0.510 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC001353055937 891350327 /nfs/dbraw/zinc/35/03/27/891350327.db2.gz POQQOTXAEMEEMI-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001353061932 891352798 /nfs/dbraw/zinc/35/27/98/891352798.db2.gz BTQMBRIPTYLLLJ-LLVKDONJSA-N 2 0 269.349 -0.253 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N[C@H]3C[C@H](C[NH3+])C3)CC[C@H]21 ZINC001353193317 891381188 /nfs/dbraw/zinc/38/11/88/891381188.db2.gz GSPSUGYEMFZUHE-ZDEQEGDKSA-N 2 0 294.399 -0.608 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC001353237242 891385726 /nfs/dbraw/zinc/38/57/26/891385726.db2.gz BUQAWPNSXVOXAR-MNOVXSKESA-N 2 0 282.388 -0.465 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC001353237239 891386101 /nfs/dbraw/zinc/38/61/01/891386101.db2.gz BUQAWPNSXVOXAR-GHMZBOCLSA-N 2 0 282.388 -0.465 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC001353252621 891389527 /nfs/dbraw/zinc/38/95/27/891389527.db2.gz SWTWMXZNWRECOB-CYBMUJFWSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H](CC[NH2+]C[C@H](O)C1(O)CCOCC1)[NH+](C)C ZINC001353288458 891395844 /nfs/dbraw/zinc/39/58/44/891395844.db2.gz ZXQBQEVDCZPLQG-RYUDHWBXSA-N 2 0 260.378 -0.181 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001353312268 891402398 /nfs/dbraw/zinc/40/23/98/891402398.db2.gz VMAHIHMNNCWJEU-JOCQHMNTSA-N 2 0 298.431 -0.066 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)CC[NH3+] ZINC001353426126 891424522 /nfs/dbraw/zinc/42/45/22/891424522.db2.gz VSAXKOFBISPCFQ-GHMZBOCLSA-N 2 0 258.366 -0.256 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001353354489 891411290 /nfs/dbraw/zinc/41/12/90/891411290.db2.gz QJGFQPBGNSUZOL-ZIAGYGMSSA-N 2 0 297.447 -0.079 20 0 CBADRP C[NH2+]CCCNC(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC001353414769 891422041 /nfs/dbraw/zinc/42/20/41/891422041.db2.gz YPRQXGAJDJSMIE-NSHDSACASA-N 2 0 258.366 -0.384 20 0 CBADRP CC[NH2+]CCNC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001353417529 891422159 /nfs/dbraw/zinc/42/21/59/891422159.db2.gz ZOTVFIGQUAMNAE-LLVKDONJSA-N 2 0 298.387 -0.420 20 0 CBADRP C[C@@H](CCCC[NH3+])NC(=O)N1CCNCC[NH2+]CC1 ZINC001353430517 891425865 /nfs/dbraw/zinc/42/58/65/891425865.db2.gz QBTNOONGRSBBRW-LBPRGKRZSA-N 2 0 271.409 -0.292 20 0 CBADRP [NH3+]C1CC2(C1)CC(NC(=O)NC[C@H]1C[NH2+]CCO1)C2 ZINC001353430754 891425985 /nfs/dbraw/zinc/42/59/85/891425985.db2.gz QRRCLAIFHLFCJV-XPOXDWOYSA-N 2 0 268.361 -0.456 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)N1CC[NH2+]C[C@H]1COC ZINC001353431203 891426119 /nfs/dbraw/zinc/42/61/19/891426119.db2.gz UMPBXBQRVPAGBH-MNOVXSKESA-N 2 0 258.366 -0.386 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)NCC[NH+]2CCCC2)C1=O ZINC001353449114 891427955 /nfs/dbraw/zinc/42/79/55/891427955.db2.gz ZYQWIFMUZXJYIZ-LBPRGKRZSA-N 2 0 282.388 -0.604 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001353441001 891428302 /nfs/dbraw/zinc/42/83/02/891428302.db2.gz CDBKGSLQZNENLL-ZDUSSCGKSA-N 2 0 270.377 -0.240 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001353444109 891428549 /nfs/dbraw/zinc/42/85/49/891428549.db2.gz WUJVPWXSBFCKSO-GXTWGEPZSA-N 2 0 284.404 -0.185 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001353464846 891431305 /nfs/dbraw/zinc/43/13/05/891431305.db2.gz LEJRPRIEYJJLNZ-TXEJJXNPSA-N 2 0 272.393 -0.009 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)C[C@@H](O)C[NH3+])CCSC1 ZINC001353483737 891433190 /nfs/dbraw/zinc/43/31/90/891433190.db2.gz ZNNAQMKLTCDBOF-KOLCDFICSA-N 2 0 261.391 -0.750 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)C[C@H](O)C[NH3+])CCSC1 ZINC001353483739 891433356 /nfs/dbraw/zinc/43/33/56/891433356.db2.gz ZNNAQMKLTCDBOF-ONGXEEELSA-N 2 0 261.391 -0.750 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[C@@H](O)C[NH2+]C)C1 ZINC001353496717 891437576 /nfs/dbraw/zinc/43/75/76/891437576.db2.gz UBFDMMATGMINSI-UTUOFQBUSA-N 2 0 257.378 -0.339 20 0 CBADRP CCC[NH2+]CCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001353591582 891450422 /nfs/dbraw/zinc/45/04/22/891450422.db2.gz POJKYTQBYFDAJD-YPMHNXCESA-N 2 0 255.362 -0.272 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001353602935 891452480 /nfs/dbraw/zinc/45/24/80/891452480.db2.gz WVUNFXJEUWPXLG-SFTQSGBHSA-N 2 0 267.373 -0.192 20 0 CBADRP C[NH2+]CCC1CCN(C(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001353602490 891452617 /nfs/dbraw/zinc/45/26/17/891452617.db2.gz PJRGDJXHZSGBPM-ZDUSSCGKSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC1([NH3+])CCC1 ZINC001353603036 891452822 /nfs/dbraw/zinc/45/28/22/891452822.db2.gz YHMKYNNYIBAIGQ-MNOVXSKESA-N 2 0 252.362 -0.628 20 0 CBADRP C[NH2+]CCC1CCN(C(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001353602489 891453229 /nfs/dbraw/zinc/45/32/29/891453229.db2.gz PJRGDJXHZSGBPM-CYBMUJFWSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@]1(C(=O)N2CCC[C@@H](CC[NH3+])C2)C[C@@H](O)C[NH2+]1 ZINC001353635499 891456876 /nfs/dbraw/zinc/45/68/76/891456876.db2.gz YLEWLNIKARPZRZ-DMDPSCGWSA-N 2 0 255.362 -0.313 20 0 CBADRP O=C(NCC[N@@H+]1CCCOCC1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001353760632 891471257 /nfs/dbraw/zinc/47/12/57/891471257.db2.gz MKEJWGCFWLPIAM-AGIUHOORSA-N 2 0 267.373 -0.320 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)C23CCC(CC2)[NH2+]3)CCCO1 ZINC001353893921 891485048 /nfs/dbraw/zinc/48/50/48/891485048.db2.gz JHSBKVFDYLMMFG-QWKFWESOSA-N 2 0 253.346 -0.153 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001353928597 891488893 /nfs/dbraw/zinc/48/88/93/891488893.db2.gz LVRABDZVWMPRKN-PUHVVEEASA-N 2 0 267.373 -0.146 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)C[C@H]1C[NH3+] ZINC001354178333 891525659 /nfs/dbraw/zinc/52/56/59/891525659.db2.gz CNJFAWYXAXLMNY-CZXHOFHRSA-N 2 0 267.373 -0.192 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001354179415 891529497 /nfs/dbraw/zinc/52/94/97/891529497.db2.gz MGNVXTYBNCPITI-UHXUPSOCSA-N 2 0 269.389 -0.210 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001354179413 891530319 /nfs/dbraw/zinc/53/03/19/891530319.db2.gz MGNVXTYBNCPITI-FMSGJZPZSA-N 2 0 269.389 -0.210 20 0 CBADRP [NH3+]C[C@H](O)CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC001354299086 891560414 /nfs/dbraw/zinc/56/04/14/891560414.db2.gz WESRTQNKYHNFJD-YFKTTZPYSA-N 2 0 255.362 -0.267 20 0 CBADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001354343333 891567455 /nfs/dbraw/zinc/56/74/55/891567455.db2.gz NNRMBHIONZZKBH-NEPJUHHUSA-N 2 0 257.378 -0.053 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001354382745 891573982 /nfs/dbraw/zinc/57/39/82/891573982.db2.gz WVQXFRNZLXUAOX-STQMWFEESA-N 2 0 296.415 -0.360 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001354382743 891574116 /nfs/dbraw/zinc/57/41/16/891574116.db2.gz WVQXFRNZLXUAOX-QWHCGFSZSA-N 2 0 296.415 -0.360 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001354382742 891574662 /nfs/dbraw/zinc/57/46/62/891574662.db2.gz WVQXFRNZLXUAOX-OLZOCXBDSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C[NH2+]1 ZINC001354424421 891578594 /nfs/dbraw/zinc/57/85/94/891578594.db2.gz OEOJBURIUHLSBD-WOPDTQHZSA-N 2 0 282.388 -0.560 20 0 CBADRP O=C([C@H]1CCCC[NH2+]1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001354436187 891581945 /nfs/dbraw/zinc/58/19/45/891581945.db2.gz KLPPFRGCMHFKBS-NWDGAFQWSA-N 2 0 255.362 -0.299 20 0 CBADRP O=C([C@H]1CCCC[NH2+]1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001354436190 891582013 /nfs/dbraw/zinc/58/20/13/891582013.db2.gz KLPPFRGCMHFKBS-VXGBXAGGSA-N 2 0 255.362 -0.299 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1ccn(CCC[NH3+])n1 ZINC001354487601 891587656 /nfs/dbraw/zinc/58/76/56/891587656.db2.gz NQKPYEWPZWMMFM-VHSXEESVSA-N 2 0 251.334 -0.206 20 0 CBADRP C[C@H](NC(=O)[C@H]1C[NH2+]CCN1C)C1CC[NH2+]CC1 ZINC001354523108 891589387 /nfs/dbraw/zinc/58/93/87/891589387.db2.gz ICSRECHZEMPTQY-CMPLNLGQSA-N 2 0 254.378 -0.606 20 0 CBADRP [NH3+]CC(=O)NCC(=O)NCCCCCC1CC[NH2+]CC1 ZINC001354760573 891615653 /nfs/dbraw/zinc/61/56/53/891615653.db2.gz ORCBKNNHZWUBRA-UHFFFAOYSA-N 2 0 284.404 -0.263 20 0 CBADRP CC[C@@H](CN1CCOCC1)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC001354853882 891623070 /nfs/dbraw/zinc/62/30/70/891623070.db2.gz IRUGBRQPJNCQQP-SRVKXCTJSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH2+]CCN(C(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C)C(C)C ZINC001354866007 891624091 /nfs/dbraw/zinc/62/40/91/891624091.db2.gz VATJIOMTURJANZ-STQMWFEESA-N 2 0 268.405 -0.169 20 0 CBADRP C[NH2+]CCN(C(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C)C(C)C ZINC001354866002 891624352 /nfs/dbraw/zinc/62/43/52/891624352.db2.gz VATJIOMTURJANZ-QWHCGFSZSA-N 2 0 268.405 -0.169 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001354955792 891632951 /nfs/dbraw/zinc/63/29/51/891632951.db2.gz DXNUWMJZHHHKBD-TZMCWYRMSA-N 2 0 266.389 -0.460 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001354958893 891635026 /nfs/dbraw/zinc/63/50/26/891635026.db2.gz SANGUYZVUYWULC-YRGRVCCFSA-N 2 0 266.389 -0.462 20 0 CBADRP C[C@@H]1CN(C(=O)c2ccn(CCC[NH3+])n2)C[C@H]1C[NH3+] ZINC001355086737 891644741 /nfs/dbraw/zinc/64/47/41/891644741.db2.gz TVSRYQKRLKYPHE-GHMZBOCLSA-N 2 0 265.361 -0.101 20 0 CBADRP [NH3+]C[C@@H](O)CCc1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC001355401724 891674162 /nfs/dbraw/zinc/67/41/62/891674162.db2.gz FNTGWZJIOWNBOS-AAEUAGOBSA-N 2 0 267.377 -0.080 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001355488958 891685071 /nfs/dbraw/zinc/68/50/71/891685071.db2.gz UDEZUVWBIOMLAP-WGBDABJCSA-N 2 0 253.346 -0.500 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C[NH2+]CC1CC1 ZINC001355558489 891689008 /nfs/dbraw/zinc/68/90/08/891689008.db2.gz IYTTXDCRUWJLSL-GFCCVEGCSA-N 2 0 255.362 -0.177 20 0 CBADRP [NH3+]CCOCC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001356226745 891740407 /nfs/dbraw/zinc/74/04/07/891740407.db2.gz BXYAXSJLRVZGOM-NWDGAFQWSA-N 2 0 271.361 -0.981 20 0 CBADRP [NH3+]CCOCC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001356226746 891741260 /nfs/dbraw/zinc/74/12/60/891741260.db2.gz BXYAXSJLRVZGOM-RYUDHWBXSA-N 2 0 271.361 -0.981 20 0 CBADRP C[C@H](NC(=O)C(C)(C)C[NH3+])[C@@H]1C[N@H+](C)CCN1C ZINC001356253701 891742956 /nfs/dbraw/zinc/74/29/56/891742956.db2.gz ORWWZLZUXORCBM-QWRGUYRKSA-N 2 0 256.394 -0.278 20 0 CBADRP CN(C(=O)COC1CC[NH2+]CC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001356368179 891751728 /nfs/dbraw/zinc/75/17/28/891751728.db2.gz ALCFYDOABPMVSK-PJXYFTJBSA-N 2 0 253.346 -0.569 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC001356426943 891757637 /nfs/dbraw/zinc/75/76/37/891757637.db2.gz FYEBEOBZYUKQQQ-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@H]1CCC[NH2+]CC1 ZINC001356454623 891762533 /nfs/dbraw/zinc/76/25/33/891762533.db2.gz TYUBKQWTMWCXMP-RYUDHWBXSA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC001356462546 891766693 /nfs/dbraw/zinc/76/66/93/891766693.db2.gz LQQDOBRACANKNY-QDMLRJGXSA-N 2 0 282.388 -0.704 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001356498499 891772073 /nfs/dbraw/zinc/77/20/73/891772073.db2.gz GJYHJKOMJJNBDL-QWRGUYRKSA-N 2 0 255.362 -0.131 20 0 CBADRP CCOCC[C@@H](O)C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC001356582834 891779945 /nfs/dbraw/zinc/77/99/45/891779945.db2.gz GYYZXWZVMGFUNO-UONOGXRCSA-N 2 0 273.421 -0.001 20 0 CBADRP C[C@@H](C[NH2+]C[C@@H](O)C1(O)CCOCC1)C[NH+](C)C ZINC001356595921 891780909 /nfs/dbraw/zinc/78/09/09/891780909.db2.gz LBVDYHRHTWNYMM-NWDGAFQWSA-N 2 0 260.378 -0.324 20 0 CBADRP C[C@H](C[NH2+]C[C@H](O)C1(O)CCOCC1)C[NH+](C)C ZINC001356595920 891781459 /nfs/dbraw/zinc/78/14/59/891781459.db2.gz LBVDYHRHTWNYMM-NEPJUHHUSA-N 2 0 260.378 -0.324 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)N2CCNCC[NH2+]CC2)CC[N@@H+]1C ZINC001357241681 891862729 /nfs/dbraw/zinc/86/27/29/891862729.db2.gz JYFCOFRZEDMAPB-STQMWFEESA-N 2 0 283.420 -0.327 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC001357361534 891872411 /nfs/dbraw/zinc/87/24/11/891872411.db2.gz JOXUAAHSTNFZMF-CYBMUJFWSA-N 2 0 284.404 -0.881 20 0 CBADRP C[C@@]1(C(=O)NCCC[NH+]2CCCC2)C[C@@H](O)C[NH2+]1 ZINC001357338795 891873128 /nfs/dbraw/zinc/87/31/28/891873128.db2.gz XEDLGJPHUVDHRK-YPMHNXCESA-N 2 0 255.362 -0.299 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@@H](O)C[NH2+]1 ZINC001357369011 891877287 /nfs/dbraw/zinc/87/72/87/891877287.db2.gz TUNKCQMBLPUZTD-NRWUCQMLSA-N 2 0 267.373 -0.158 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001357374484 891877323 /nfs/dbraw/zinc/87/73/23/891877323.db2.gz CJBSUMDNEIRVEX-YRGRVCCFSA-N 2 0 269.389 -0.054 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2C[C@@H]2C[NH3+])n1 ZINC001357383832 891878402 /nfs/dbraw/zinc/87/84/02/891878402.db2.gz ADHLCWKCARITEH-NXEZZACHSA-N 2 0 251.334 -0.022 20 0 CBADRP [NH3+]CCNCC(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC001357397459 891885218 /nfs/dbraw/zinc/88/52/18/891885218.db2.gz QXBVLYNKUCBRFA-UHFFFAOYSA-N 2 0 260.301 -0.246 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001357397078 891886821 /nfs/dbraw/zinc/88/68/21/891886821.db2.gz NYULGWNGWGIKJO-UMSGYPCISA-N 2 0 267.373 -0.036 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001357436756 891892351 /nfs/dbraw/zinc/89/23/51/891892351.db2.gz XIMYEKQLCYKIIM-QJPTWQEYSA-N 2 0 267.377 -0.916 20 0 CBADRP O=C(NCCC[C@@H]1CCC[NH2+]1)N1CCNCC[NH2+]CC1 ZINC001357484304 891903610 /nfs/dbraw/zinc/90/36/10/891903610.db2.gz QVQMOSUEIJSMBC-ZDUSSCGKSA-N 2 0 283.420 -0.277 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2COC3(C[NH2+]C3)C2)C1 ZINC001357846942 891941033 /nfs/dbraw/zinc/94/10/33/891941033.db2.gz OQMYGHISXBTTOE-GHMZBOCLSA-N 2 0 253.346 -0.425 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001357923854 891946155 /nfs/dbraw/zinc/94/61/55/891946155.db2.gz XKFOQZJKVIUIBJ-CHWSQXEVSA-N 2 0 284.404 -0.931 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001357923855 891946568 /nfs/dbraw/zinc/94/65/68/891946568.db2.gz XKFOQZJKVIUIBJ-OLZOCXBDSA-N 2 0 284.404 -0.931 20 0 CBADRP CN(CCOCC[NH3+])C(=O)c1cc2n(n1)CCC[C@H]2[NH3+] ZINC001357945861 891947562 /nfs/dbraw/zinc/94/75/62/891947562.db2.gz RQVUYYKGTQCUKM-SNVBAGLBSA-N 2 0 281.360 -0.276 20 0 CBADRP [NH3+]CCCSCCC(=O)NC[C@H]1COCC[NH2+]1 ZINC001357939736 891948490 /nfs/dbraw/zinc/94/84/90/891948490.db2.gz XITYMXFGJDEEFA-JTQLQIEISA-N 2 0 261.391 -0.437 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)CCC12CC(C1)C[NH2+]2 ZINC001357967232 891950344 /nfs/dbraw/zinc/95/03/44/891950344.db2.gz UNABXDZPYVHLNL-AKJDGMEZSA-N 2 0 255.362 -0.443 20 0 CBADRP [NH3+]CCCSCCC(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001357979628 891953680 /nfs/dbraw/zinc/95/36/80/891953680.db2.gz BQVXLOZOTHUJDG-LBPRGKRZSA-N 2 0 286.401 -0.546 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH2+]CCC12CCC2 ZINC001357967646 891954078 /nfs/dbraw/zinc/95/40/78/891954078.db2.gz ZIYCFDFOEVFURU-NEPJUHHUSA-N 2 0 269.389 -0.195 20 0 CBADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CNCC[NH3+])C1 ZINC001357994423 891954914 /nfs/dbraw/zinc/95/49/14/891954914.db2.gz YUCLNVBRMMKDSU-CYBMUJFWSA-N 2 0 256.394 -0.242 20 0 CBADRP CC(C)([NH3+])C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001358082863 891967334 /nfs/dbraw/zinc/96/73/34/891967334.db2.gz WMSMSRTXDUMBJY-JTQLQIEISA-N 2 0 255.362 -0.001 20 0 CBADRP CC(C)([NH3+])C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001358082864 891969735 /nfs/dbraw/zinc/96/97/35/891969735.db2.gz WMSMSRTXDUMBJY-SNVBAGLBSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]CCOCC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001358129653 891975147 /nfs/dbraw/zinc/97/51/47/891975147.db2.gz BEHVBZSDCBZXPJ-JGVFFNPUSA-N 2 0 269.267 -0.300 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001358212800 891982953 /nfs/dbraw/zinc/98/29/53/891982953.db2.gz GJCFZVDJAIDVIG-LLVKDONJSA-N 2 0 299.371 -0.976 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[C@H](CC[NH3+])C1 ZINC001358249010 891986550 /nfs/dbraw/zinc/98/65/50/891986550.db2.gz BLCHUNHJSSEGOA-FRRDWIJNSA-N 2 0 266.389 -0.428 20 0 CBADRP COC[C@@]1(C(=O)N2CCN(C)CC[N@H+](C)CC2)CC[NH2+]C1 ZINC001358444766 892008862 /nfs/dbraw/zinc/00/88/62/892008862.db2.gz PPNOXBHKWSOWRZ-OAHLLOKOSA-N 2 0 298.431 -0.682 20 0 CBADRP CN1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[N@H+](C)CC1 ZINC001358444425 892008918 /nfs/dbraw/zinc/00/89/18/892008918.db2.gz KPZWXBNGYXLAQD-OLZOCXBDSA-N 2 0 268.405 -0.180 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)CC[NH+](C)C ZINC001450088789 913642129 /nfs/dbraw/zinc/64/21/29/913642129.db2.gz SFXCMLINHSXDPR-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP C[C@H](CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001361832216 892266304 /nfs/dbraw/zinc/26/63/04/892266304.db2.gz HGSFJNWDIIZMIM-CHWSQXEVSA-N 2 0 270.421 -0.064 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)[C@@H]2CCC[C@H]2O)C1 ZINC001362164967 892476235 /nfs/dbraw/zinc/47/62/35/892476235.db2.gz JSLXXIFWNRTVMQ-BFHYXJOUSA-N 2 0 299.415 -0.332 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001362361185 892624397 /nfs/dbraw/zinc/62/43/97/892624397.db2.gz WZSPPUYYVXAPKJ-WCQYABFASA-N 2 0 275.368 -0.151 20 0 CBADRP CCN1CCO[C@@H](C(=O)NC2(CCO)CC[NH+](C)CC2)C1 ZINC001362454012 892692570 /nfs/dbraw/zinc/69/25/70/892692570.db2.gz VPSCFCQCTNUMII-CYBMUJFWSA-N 2 0 299.415 -0.330 20 0 CBADRP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001362620513 892852049 /nfs/dbraw/zinc/85/20/49/892852049.db2.gz PXYCKJOYYCXDBV-MJBXVCDLSA-N 2 0 297.374 -0.038 20 0 CBADRP O=C(CC[NH+]1CC[C@H](F)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001362629236 892862987 /nfs/dbraw/zinc/86/29/87/892862987.db2.gz XVUOSLBIRRFTNJ-RWMBFGLXSA-N 2 0 285.363 -0.302 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[NH+](C)CC[C@@H]2C1 ZINC001363006526 893254621 /nfs/dbraw/zinc/25/46/21/893254621.db2.gz UTFXTRYPVYIDKZ-UKTARXLSSA-N 2 0 281.400 -0.148 20 0 CBADRP C[C@H](CC[NH+](C)C)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001363200707 893451598 /nfs/dbraw/zinc/45/15/98/893451598.db2.gz ACLKCZFLJROOOJ-CYBMUJFWSA-N 2 0 298.431 -0.193 20 0 CBADRP CC[C@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001451092851 913769789 /nfs/dbraw/zinc/76/97/89/913769789.db2.gz RPZJSSJSWBRDNR-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP O=C(CC[NH+]1CC[C@H](F)C1)NCC[N@H+]1CC[C@@H](O)C1 ZINC001363213034 893466604 /nfs/dbraw/zinc/46/66/04/893466604.db2.gz VLAQVOZXVUUVTA-NWDGAFQWSA-N 2 0 273.352 -0.397 20 0 CBADRP CC[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001451092847 913771430 /nfs/dbraw/zinc/77/14/30/913771430.db2.gz RPZJSSJSWBRDNR-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP Cn1ncc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC001363240794 893486455 /nfs/dbraw/zinc/48/64/55/893486455.db2.gz ZUULCLAYZJOZFJ-VXGBXAGGSA-N 2 0 294.403 -0.374 20 0 CBADRP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](CO)[C@H](CCO)C2)CC1 ZINC001363336950 893596125 /nfs/dbraw/zinc/59/61/25/893596125.db2.gz XUWXYMBRKRPODP-OLZOCXBDSA-N 2 0 299.415 -0.881 20 0 CBADRP CC[NH+]1CCC(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001363601931 893838339 /nfs/dbraw/zinc/83/83/39/893838339.db2.gz JIPHEUMZVGVSKC-CYBMUJFWSA-N 2 0 290.429 -0.143 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C1 ZINC001363676379 893906814 /nfs/dbraw/zinc/90/68/14/893906814.db2.gz MOFDHEAZXVNRHX-NFAWXSAZSA-N 2 0 299.415 -0.643 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001363686893 893914113 /nfs/dbraw/zinc/91/41/13/893914113.db2.gz YOWSOIWPNFQUFV-SUHUHFCYSA-N 2 0 283.372 -0.969 20 0 CBADRP CCC[NH+]1CCC(C[NH2+]Cc2cn(CC(N)=O)nn2)CC1 ZINC001363868525 894070310 /nfs/dbraw/zinc/07/03/10/894070310.db2.gz UGQKXLMQTAXWQP-UHFFFAOYSA-N 2 0 294.403 -0.025 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001365812660 895125301 /nfs/dbraw/zinc/12/53/01/895125301.db2.gz XYHCWUIUUYGVEQ-KBPBESRZSA-N 2 0 299.415 -0.378 20 0 CBADRP Cn1nncc1C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001365817822 895125547 /nfs/dbraw/zinc/12/55/47/895125547.db2.gz GHFKSNUDDSDKPH-TXEJJXNPSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001365813002 895125833 /nfs/dbraw/zinc/12/58/33/895125833.db2.gz KVORFJCNBZOZLK-UTUOFQBUSA-N 2 0 296.415 -0.171 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001365819662 895128073 /nfs/dbraw/zinc/12/80/73/895128073.db2.gz VOBOYPBIHBOMEZ-FRRDWIJNSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)[NH+](C)C ZINC001365823873 895128994 /nfs/dbraw/zinc/12/89/94/895128994.db2.gz XXJDSVZFNOHGPO-RNJOBUHISA-N 2 0 296.415 -0.301 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001365827330 895129176 /nfs/dbraw/zinc/12/91/76/895129176.db2.gz SRNWWFQWDRVPFT-XQQFMLRXSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001365820979 895129278 /nfs/dbraw/zinc/12/92/78/895129278.db2.gz NNAFBGXCCHYQAJ-UPJWGTAASA-N 2 0 298.431 -0.053 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001365825640 895129610 /nfs/dbraw/zinc/12/96/10/895129610.db2.gz UDFIRFWAKBPLML-UPJWGTAASA-N 2 0 296.415 -0.441 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001365854113 895134744 /nfs/dbraw/zinc/13/47/44/895134744.db2.gz XHQMSXQBVTZUEC-AVGNSLFASA-N 2 0 296.415 -0.301 20 0 CBADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](C[C@@H](O)COC)C1)[NH+](C)C ZINC001365984985 895161662 /nfs/dbraw/zinc/16/16/62/895161662.db2.gz MJIMVNLMANILIU-YNEHKIRRSA-N 2 0 287.404 -0.476 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001365993212 895165951 /nfs/dbraw/zinc/16/59/51/895165951.db2.gz VHADYKGRERDCDJ-VXGBXAGGSA-N 2 0 275.368 -0.151 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CCCO)C1 ZINC001366001847 895171761 /nfs/dbraw/zinc/17/17/61/895171761.db2.gz GBRAJSANPKDAGH-KGLIPLIRSA-N 2 0 299.415 -0.472 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001366046971 895179153 /nfs/dbraw/zinc/17/91/53/895179153.db2.gz QPPKNKWMERQBHE-QWHCGFSZSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]([NH2+][C@H](CNC(=O)Cc1ncc[nH]1)C1CC1)C(N)=O ZINC001366065916 895182597 /nfs/dbraw/zinc/18/25/97/895182597.db2.gz WUDMWGYUVJGINK-WCBMZHEXSA-N 2 0 279.344 -0.690 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001366104468 895191313 /nfs/dbraw/zinc/19/13/13/895191313.db2.gz KBAPQUQVEHKIGT-RDBSUJKOSA-N 2 0 299.415 -0.474 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001366104004 895192099 /nfs/dbraw/zinc/19/20/99/895192099.db2.gz WMABOOHFNGXION-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC)C2)CC[N@@H+]1C ZINC001366118320 895196871 /nfs/dbraw/zinc/19/68/71/895196871.db2.gz VSORSMZSACRBMI-ZDEQEGDKSA-N 2 0 296.415 -0.301 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001366168264 895213282 /nfs/dbraw/zinc/21/32/82/895213282.db2.gz ZZESWDAPABHHAL-FVCCEPFGSA-N 2 0 285.388 -0.818 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001366182077 895216472 /nfs/dbraw/zinc/21/64/72/895216472.db2.gz ANQXNIXFOOAZQH-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001366214830 895223900 /nfs/dbraw/zinc/22/39/00/895223900.db2.gz AFPNBPLOJUAJOJ-GFCCVEGCSA-N 2 0 294.399 -0.462 20 0 CBADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001366334118 895279411 /nfs/dbraw/zinc/27/94/11/895279411.db2.gz LMZNPQONFNGCJB-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C1CC1 ZINC001366358233 895288004 /nfs/dbraw/zinc/28/80/04/895288004.db2.gz NPFHODZCHQPVAA-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP CCN(CC)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001366358133 895289367 /nfs/dbraw/zinc/28/93/67/895289367.db2.gz NDMVLYQSBKAZDL-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001366382800 895299911 /nfs/dbraw/zinc/29/99/11/895299911.db2.gz WWGUQLRRFULWFO-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001366380778 895301917 /nfs/dbraw/zinc/30/19/17/895301917.db2.gz HRMLDZSJYQDNSX-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001366388300 895305051 /nfs/dbraw/zinc/30/50/51/895305051.db2.gz AEBWJDDEJQNQLX-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001366405090 895312018 /nfs/dbraw/zinc/31/20/18/895312018.db2.gz UAASTWYZUHPSJN-RYUDHWBXSA-N 2 0 296.415 -0.360 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001366411619 895313797 /nfs/dbraw/zinc/31/37/97/895313797.db2.gz MHLNQLZIFMOLIP-NWDGAFQWSA-N 2 0 282.388 -0.748 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001366430888 895320660 /nfs/dbraw/zinc/32/06/60/895320660.db2.gz PFLPHXASVNFEGD-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001366452777 895324507 /nfs/dbraw/zinc/32/45/07/895324507.db2.gz NNCKXXHOUXJCKL-YPMHNXCESA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001366471157 895328855 /nfs/dbraw/zinc/32/88/55/895328855.db2.gz ISNSDGJCXBLDJQ-WDEREUQCSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CC(N)=O ZINC001366495359 895333950 /nfs/dbraw/zinc/33/39/50/895333950.db2.gz DYQPAYFVGYGAPD-FZMZJTMJSA-N 2 0 282.388 -0.558 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@H]1CCCN1CC(N)=O)[NH+](C)C ZINC001366653388 895421094 /nfs/dbraw/zinc/42/10/94/895421094.db2.gz RMCVWDVJLYIZHS-YPMHNXCESA-N 2 0 284.404 -0.362 20 0 CBADRP CNC(=O)[C@H](C)N1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001366674829 895427128 /nfs/dbraw/zinc/42/71/28/895427128.db2.gz IQDNVCJOJXZJHT-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CCN1CC[C@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)C1=O ZINC001366777527 895460371 /nfs/dbraw/zinc/46/03/71/895460371.db2.gz RTNBMYXZZOESMP-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001366777677 895461731 /nfs/dbraw/zinc/46/17/31/895461731.db2.gz RYSPXSWHLWFADA-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)CC(=O)NC)C1 ZINC001366881424 895478247 /nfs/dbraw/zinc/47/82/47/895478247.db2.gz SBKHIJQVYSBLQF-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP COC[C@@H](O)CN1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001366937709 895495188 /nfs/dbraw/zinc/49/51/88/895495188.db2.gz APHAAJZSPMKMQQ-AAEUAGOBSA-N 2 0 285.388 -0.864 20 0 CBADRP COC[C@@H](O)C[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001366990623 895517120 /nfs/dbraw/zinc/51/71/20/895517120.db2.gz HXIVZFGOSDOLFK-ZDUSSCGKSA-N 2 0 287.404 -0.618 20 0 CBADRP CNC(=O)C[NH2+]C[C@@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001367196139 895583539 /nfs/dbraw/zinc/58/35/39/895583539.db2.gz VCSRSBAZZRRJRY-CQSZACIVSA-N 2 0 284.404 -0.441 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001367222083 895586227 /nfs/dbraw/zinc/58/62/27/895586227.db2.gz UZOLHHTZCGOBAB-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001367242889 895593203 /nfs/dbraw/zinc/59/32/03/895593203.db2.gz XXRFZDXRVDKZAG-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)C[NH2+]CC(N)=O)C1 ZINC001367263472 895598039 /nfs/dbraw/zinc/59/80/39/895598039.db2.gz CQRQOERFXNOFOW-STQMWFEESA-N 2 0 298.431 -0.064 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001367272532 895601251 /nfs/dbraw/zinc/60/12/51/895601251.db2.gz XSESHHVVOLFEMA-VXGBXAGGSA-N 2 0 298.431 -0.195 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001367272531 895602545 /nfs/dbraw/zinc/60/25/45/895602545.db2.gz XSESHHVVOLFEMA-RYUDHWBXSA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)C[NH2+]CC(N)=O ZINC001367291591 895606173 /nfs/dbraw/zinc/60/61/73/895606173.db2.gz VNVMEEZQXMDIOP-LBPRGKRZSA-N 2 0 284.404 -0.310 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001367385669 895628287 /nfs/dbraw/zinc/62/82/87/895628287.db2.gz SKLTWKRCSVXKHF-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001367425582 895636048 /nfs/dbraw/zinc/63/60/48/895636048.db2.gz USYQYIQVPYVSRW-GFCCVEGCSA-N 2 0 296.415 -0.312 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccn(C)n1)[NH+](C)C ZINC001367623870 895708677 /nfs/dbraw/zinc/70/86/77/895708677.db2.gz WJSZLMYNRYZCCB-OLZOCXBDSA-N 2 0 297.403 -0.673 20 0 CBADRP C[C@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)CCC[NH+](C)C ZINC001367644691 895719831 /nfs/dbraw/zinc/71/98/31/895719831.db2.gz LUISBGFSMBYPMY-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCCNC1=O)[NH+](C)C ZINC001367678805 895738862 /nfs/dbraw/zinc/73/88/62/895738862.db2.gz VDFRFIQGODHBJU-UPJWGTAASA-N 2 0 298.431 -0.055 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367681855 895744041 /nfs/dbraw/zinc/74/40/41/895744041.db2.gz AZULSTDOUIMRQY-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NC(C)(C)C)NC(=O)CC[NH+](C)C ZINC001367696228 895748944 /nfs/dbraw/zinc/74/89/44/895748944.db2.gz OZAXZXJESSFCBW-LLVKDONJSA-N 2 0 286.420 -0.053 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCCNC1=O)[NH+](C)C ZINC001367700257 895753088 /nfs/dbraw/zinc/75/30/88/895753088.db2.gz UXEJTPPDGXPVLF-UTUOFQBUSA-N 2 0 284.404 -0.301 20 0 CBADRP CC[C@@H](C(=O)N(CC)CC[NH2+][C@@H](C)C(=O)NC)[NH+](C)C ZINC001367699081 895755643 /nfs/dbraw/zinc/75/56/43/895755643.db2.gz XTHYKYDYUGOXCW-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367708558 895760659 /nfs/dbraw/zinc/76/06/59/895760659.db2.gz XQMJXPPXBAYSBY-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367708735 895760508 /nfs/dbraw/zinc/76/05/08/895760508.db2.gz ZRJJURWAAUNCPL-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001367726031 895768124 /nfs/dbraw/zinc/76/81/24/895768124.db2.gz UDHIZCWVAHASRD-SRVKXCTJSA-N 2 0 273.377 -0.818 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001367776957 895802244 /nfs/dbraw/zinc/80/22/44/895802244.db2.gz SWIGWCGZBZFKID-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP C[N@H+](CC(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1)CC(C)(C)C ZINC001367900612 895850318 /nfs/dbraw/zinc/85/03/18/895850318.db2.gz LHRTZPMCSJMAFT-LBPRGKRZSA-N 2 0 298.431 -0.066 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001367907293 895850690 /nfs/dbraw/zinc/85/06/90/895850690.db2.gz MDDBUPAXCPCNKV-VXGBXAGGSA-N 2 0 282.388 -0.560 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001367926902 895855263 /nfs/dbraw/zinc/85/52/63/895855263.db2.gz WDAYDEKXSYTCRM-NEPJUHHUSA-N 2 0 282.388 -0.832 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001367959836 895869271 /nfs/dbraw/zinc/86/92/71/895869271.db2.gz BFLPXVXEYHIUDC-NWDGAFQWSA-N 2 0 273.377 -0.864 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001368002876 895888107 /nfs/dbraw/zinc/88/81/07/895888107.db2.gz MGPWZSYSYIUHCT-GHMZBOCLSA-N 2 0 282.388 -0.689 20 0 CBADRP CC[C@@H](C(=O)NCC1([NH2+][C@@H](C)C(=O)NC)CC1)[NH+](C)C ZINC001368018084 895891549 /nfs/dbraw/zinc/89/15/49/895891549.db2.gz GAGPFYLXMQBAMS-QWRGUYRKSA-N 2 0 284.404 -0.301 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCn2cncn2)CC1 ZINC001368023184 895892889 /nfs/dbraw/zinc/89/28/89/895892889.db2.gz OZRWCLQCNKQDTE-GFCCVEGCSA-N 2 0 292.387 -0.389 20 0 CBADRP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001368037297 895895914 /nfs/dbraw/zinc/89/59/14/895895914.db2.gz VFRRBXLKBNAYRX-VXGBXAGGSA-N 2 0 285.388 -0.816 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001368036359 895897267 /nfs/dbraw/zinc/89/72/67/895897267.db2.gz QFSQPWSSJRFFKG-QWRGUYRKSA-N 2 0 280.372 -0.935 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001368104043 895915235 /nfs/dbraw/zinc/91/52/35/895915235.db2.gz ALPKPXWDOPNHIN-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001368161897 895922467 /nfs/dbraw/zinc/92/24/67/895922467.db2.gz MTKYIALYCJSHNQ-BXUZGUMPSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001368161902 895925897 /nfs/dbraw/zinc/92/58/97/895925897.db2.gz MTKYIALYCJSHNQ-SMDDNHRTSA-N 2 0 284.404 -0.347 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001368193239 895935362 /nfs/dbraw/zinc/93/53/62/895935362.db2.gz FCVVYDFEEAENNG-HNNXBMFYSA-N 2 0 298.431 -0.146 20 0 CBADRP CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001368195929 895935504 /nfs/dbraw/zinc/93/55/04/895935504.db2.gz LGUOVZLJMFPFNR-HNNXBMFYSA-N 2 0 298.431 -0.098 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001368222659 895935552 /nfs/dbraw/zinc/93/55/52/895935552.db2.gz FUGSSKCKSAOGGS-GFCCVEGCSA-N 2 0 285.388 -0.672 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001368259080 895950376 /nfs/dbraw/zinc/95/03/76/895950376.db2.gz JJDFGPSMXIJUGZ-TZMCWYRMSA-N 2 0 287.404 -0.738 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001368343564 895986723 /nfs/dbraw/zinc/98/67/23/895986723.db2.gz FTDVASNKRWJEPX-CLLJXQQHSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001368337582 895986757 /nfs/dbraw/zinc/98/67/57/895986757.db2.gz JDOQRCLSMSHDOZ-NWDGAFQWSA-N 2 0 294.399 -0.606 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001368496446 896021929 /nfs/dbraw/zinc/02/19/29/896021929.db2.gz QPJQKAWVKOTESW-PHIMTYICSA-N 2 0 270.377 -0.832 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001368523069 896025077 /nfs/dbraw/zinc/02/50/77/896025077.db2.gz GUDVRXXSSAXYPF-LOWVWBTDSA-N 2 0 284.404 -0.458 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001368521186 896025435 /nfs/dbraw/zinc/02/54/35/896025435.db2.gz KBIRWIPMIZSFRM-QNWHQSFQSA-N 2 0 296.415 -0.314 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001368536722 896031801 /nfs/dbraw/zinc/03/18/01/896031801.db2.gz MYZXMVODZXHSHG-NDBYEHHHSA-N 2 0 296.415 -0.443 20 0 CBADRP CN(CCC[N@H+](C)CC(N)=O)C(=O)[C@H]1CCCC[NH+]1C ZINC001368549509 896033516 /nfs/dbraw/zinc/03/35/16/896033516.db2.gz QLZVUKDOBHYFJO-GFCCVEGCSA-N 2 0 284.404 -0.264 20 0 CBADRP CC(C)(C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001368571961 896038060 /nfs/dbraw/zinc/03/80/60/896038060.db2.gz JCYSCELXQYCNKY-HAQNSBGRSA-N 2 0 296.415 -0.170 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC001368580917 896041093 /nfs/dbraw/zinc/04/10/93/896041093.db2.gz PFWQGUXEDXUFRW-FDYHWXHSSA-N 2 0 298.431 -0.069 20 0 CBADRP C[NH+](C)CCCC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001368583127 896042038 /nfs/dbraw/zinc/04/20/38/896042038.db2.gz WBGMLQUMBGSSRD-XYPYZODXSA-N 2 0 270.377 -0.702 20 0 CBADRP CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001368612919 896046211 /nfs/dbraw/zinc/04/62/11/896046211.db2.gz LYBUDAHGSVCNSU-DZGCQCFKSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@@](CO)([NH2+]CCO)C1)[NH+](C)C ZINC001368617605 896048532 /nfs/dbraw/zinc/04/85/32/896048532.db2.gz AZHAYERKEGWXGC-TZMCWYRMSA-N 2 0 287.404 -0.738 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC(N)=O ZINC001368723694 896066767 /nfs/dbraw/zinc/06/67/67/896066767.db2.gz VCZGTCPMIQRTPH-CMPLNLGQSA-N 2 0 282.388 -0.702 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001368748362 896074204 /nfs/dbraw/zinc/07/42/04/896074204.db2.gz KKEMDBBDKQEASE-RWMBFGLXSA-N 2 0 287.404 -0.570 20 0 CBADRP CNC(=O)C[NH2+]CC1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001368820240 896089029 /nfs/dbraw/zinc/08/90/29/896089029.db2.gz FOBFTYYYNXITFG-UHFFFAOYSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CCn1cncn1 ZINC001368897863 896106710 /nfs/dbraw/zinc/10/67/10/896106710.db2.gz BUJPLEFJNGBZJD-QWHCGFSZSA-N 2 0 294.403 -0.143 20 0 CBADRP C[C@@H]([NH2+]Cc1cnnn1C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001368904996 896106975 /nfs/dbraw/zinc/10/69/75/896106975.db2.gz GOWQAUSZEZJPRB-NEPJUHHUSA-N 2 0 294.403 -0.106 20 0 CBADRP CCCC[C@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001369056792 896143242 /nfs/dbraw/zinc/14/32/42/896143242.db2.gz MXMXDIDCXACZDB-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001369178458 896164678 /nfs/dbraw/zinc/16/46/78/896164678.db2.gz IDPNMIOZWQZBSW-JOCQHMNTSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(=O)NC)C1)[NH+](C)C ZINC001369178902 896164820 /nfs/dbraw/zinc/16/48/20/896164820.db2.gz GGWBFQSDHJKHPU-CYDGBPFRSA-N 2 0 298.431 -0.055 20 0 CBADRP CCN1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H](C)O)C2)C1 ZINC001369186790 896168781 /nfs/dbraw/zinc/16/87/81/896168781.db2.gz SJLBTYKRHJSCDA-AAVRWANBSA-N 2 0 299.415 -0.428 20 0 CBADRP C[C@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+]CC(N)=O ZINC001369253148 896180975 /nfs/dbraw/zinc/18/09/75/896180975.db2.gz SFIUJUISYQLEIW-SNVBAGLBSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+][C@H](C)C(N)=O ZINC001369272149 896184311 /nfs/dbraw/zinc/18/43/11/896184311.db2.gz MJBGIXOQDBUNAC-GHMZBOCLSA-N 2 0 284.404 -0.362 20 0 CBADRP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001369278473 896185375 /nfs/dbraw/zinc/18/53/75/896185375.db2.gz SMXFNMXITQRIGT-NEPJUHHUSA-N 2 0 286.420 -0.149 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001369298257 896189911 /nfs/dbraw/zinc/18/99/11/896189911.db2.gz SKOSTFMRNQBKQB-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001369294965 896191075 /nfs/dbraw/zinc/19/10/75/896191075.db2.gz WCQGSBUULQMFQB-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001369309625 896199658 /nfs/dbraw/zinc/19/96/58/896199658.db2.gz VHYMILXPSMRXJW-QWRGUYRKSA-N 2 0 270.377 -0.879 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001369395228 896256434 /nfs/dbraw/zinc/25/64/34/896256434.db2.gz RUFAAQYLRIYMLR-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001369423876 896263631 /nfs/dbraw/zinc/26/36/31/896263631.db2.gz PZOICVRTFQLZFM-AAEUAGOBSA-N 2 0 296.415 -0.312 20 0 CBADRP NC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001369450984 896274892 /nfs/dbraw/zinc/27/48/92/896274892.db2.gz WJOUDVKVMKAEEU-NEPJUHHUSA-N 2 0 282.388 -0.558 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+]C[C@@H](C)O ZINC001369488945 896291209 /nfs/dbraw/zinc/29/12/09/896291209.db2.gz LIHUEOFNTWJSHU-NEPJUHHUSA-N 2 0 275.393 -0.884 20 0 CBADRP CC[C@H](C(=O)N(C)C1CC([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001369576832 896322098 /nfs/dbraw/zinc/32/20/98/896322098.db2.gz AQIRPCBDZHNNIO-HTAVTVPLSA-N 2 0 284.404 -0.348 20 0 CBADRP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]CC(=O)N2CCC2)C1 ZINC001369573634 896323204 /nfs/dbraw/zinc/32/32/04/896323204.db2.gz GODHSKVAWIVGON-UHFFFAOYSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001369752393 896335713 /nfs/dbraw/zinc/33/57/13/896335713.db2.gz QSOKCRIWQIKYNX-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001369752394 896335933 /nfs/dbraw/zinc/33/59/33/896335933.db2.gz QSOKCRIWQIKYNX-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001369752388 896336469 /nfs/dbraw/zinc/33/64/69/896336469.db2.gz QSOKCRIWQIKYNX-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001369866812 896355855 /nfs/dbraw/zinc/35/58/55/896355855.db2.gz BXUODSYRNGDTFJ-UONOGXRCSA-N 2 0 299.415 -0.330 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001370358159 896420889 /nfs/dbraw/zinc/42/08/89/896420889.db2.gz XXIGNSHLNHUDEG-XQQFMLRXSA-N 2 0 285.388 -0.722 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001370404100 896423088 /nfs/dbraw/zinc/42/30/88/896423088.db2.gz JSQZHUSRQQIDNZ-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001370443712 896428730 /nfs/dbraw/zinc/42/87/30/896428730.db2.gz IHLNAXFVGJWFLX-CYDGBPFRSA-N 2 0 285.388 -0.675 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001370443730 896429864 /nfs/dbraw/zinc/42/98/64/896429864.db2.gz IHLNAXFVGJWFLX-ZDEQEGDKSA-N 2 0 285.388 -0.675 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001370483938 896437330 /nfs/dbraw/zinc/43/73/30/896437330.db2.gz OAXYCLDNOLXVNI-HAQNSBGRSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](O)COC)C1)[NH+](C)C ZINC001370646552 896461482 /nfs/dbraw/zinc/46/14/82/896461482.db2.gz DCHOLMIVMRJYEW-YVECIDJPSA-N 2 0 287.404 -0.429 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](O)COC)C1)[NH+](C)C ZINC001370646544 896462206 /nfs/dbraw/zinc/46/22/06/896462206.db2.gz DCHOLMIVMRJYEW-QNWHQSFQSA-N 2 0 287.404 -0.429 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001370964435 896524738 /nfs/dbraw/zinc/52/47/38/896524738.db2.gz ORSWIDICCMMRQY-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001371321553 896591875 /nfs/dbraw/zinc/59/18/75/896591875.db2.gz RGASNZSQQNZGPB-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001371361724 896595853 /nfs/dbraw/zinc/59/58/53/896595853.db2.gz GORGCPCHIYQSLF-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001371539036 896631950 /nfs/dbraw/zinc/63/19/50/896631950.db2.gz PCYDQMZFJXAYEM-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001371538968 896632326 /nfs/dbraw/zinc/63/23/26/896632326.db2.gz MUFFHMMRMVBACY-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001371569215 896638011 /nfs/dbraw/zinc/63/80/11/896638011.db2.gz QDVUWYXOLZFVRM-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001371569211 896638166 /nfs/dbraw/zinc/63/81/66/896638166.db2.gz QDVUWYXOLZFVRM-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001371612086 896645335 /nfs/dbraw/zinc/64/53/35/896645335.db2.gz FJQWSBNULUWPBR-STQMWFEESA-N 2 0 296.415 -0.488 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001371661229 896648287 /nfs/dbraw/zinc/64/82/87/896648287.db2.gz UXEAEEFSDSYQLM-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](CCNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)N(C)C ZINC001371821551 896663303 /nfs/dbraw/zinc/66/33/03/896663303.db2.gz OZMATNYPEIACNV-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001371889903 896673679 /nfs/dbraw/zinc/67/36/79/896673679.db2.gz VCWUVZJRLJFTMB-LLVKDONJSA-N 2 0 272.393 -0.443 20 0 CBADRP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CCN1CCNC1=O ZINC001371925443 896686121 /nfs/dbraw/zinc/68/61/21/896686121.db2.gz IQQVLNMLDWAMLJ-LBPRGKRZSA-N 2 0 297.403 -0.846 20 0 CBADRP CC[N@H+](CCNC(=O)CC[NH+](C)C)[C@H]1CCN(C)C1=O ZINC001372409900 896782701 /nfs/dbraw/zinc/78/27/01/896782701.db2.gz NNCVMSKKESUJFX-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H]1CCCNC1=O ZINC001372394413 896784212 /nfs/dbraw/zinc/78/42/12/896784212.db2.gz ICYKWZQESOUKTN-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001372855916 896890068 /nfs/dbraw/zinc/89/00/68/896890068.db2.gz AXAZGDOWGYDXHL-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001372912387 896899386 /nfs/dbraw/zinc/89/93/86/896899386.db2.gz ZYVMNJNGVWZGNV-OLZOCXBDSA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001372912401 896899858 /nfs/dbraw/zinc/89/98/58/896899858.db2.gz ZYVMNJNGVWZGNV-STQMWFEESA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NC1CC1 ZINC001372919076 896902592 /nfs/dbraw/zinc/90/25/92/896902592.db2.gz DNINQBPWUQSBRS-YPMHNXCESA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NC1CC1 ZINC001372919065 896904716 /nfs/dbraw/zinc/90/47/16/896904716.db2.gz DNINQBPWUQSBRS-AAEUAGOBSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001372994115 896919863 /nfs/dbraw/zinc/91/98/63/896919863.db2.gz TZIFJPQVVIJQKX-VXGBXAGGSA-N 2 0 284.404 -0.537 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001373159564 896951164 /nfs/dbraw/zinc/95/11/64/896951164.db2.gz OWPWTBVDKFIQDO-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[C@H](C(=O)N1CCC(C[N@H+](C)CC(N)=O)CC1)[NH+](C)C ZINC001373321806 896972342 /nfs/dbraw/zinc/97/23/42/896972342.db2.gz XPSRGMFJEPTERZ-CYBMUJFWSA-N 2 0 298.431 -0.018 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001373311811 896973831 /nfs/dbraw/zinc/97/38/31/896973831.db2.gz KDLRQWBNJQLSSS-NEPJUHHUSA-N 2 0 282.388 -0.796 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001373370417 896985852 /nfs/dbraw/zinc/98/58/52/896985852.db2.gz VYTSFSXNPFMXLI-MCIONIFRSA-N 2 0 299.415 -0.332 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CCNC(=O)C[NH+]1CCCC1 ZINC001373457095 897020887 /nfs/dbraw/zinc/02/08/87/897020887.db2.gz SUWXEUWUDWZERS-UHFFFAOYSA-N 2 0 298.431 -0.001 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001373605463 897071948 /nfs/dbraw/zinc/07/19/48/897071948.db2.gz DMTMZXCVQBURBZ-STQMWFEESA-N 2 0 299.415 -0.332 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001373639561 897084791 /nfs/dbraw/zinc/08/47/91/897084791.db2.gz BRODZRFFZHFDGE-MJBXVCDLSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N(C)C ZINC001373784319 897124578 /nfs/dbraw/zinc/12/45/78/897124578.db2.gz ZNJIJZUOBFGTQR-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC ZINC001373824182 897131736 /nfs/dbraw/zinc/13/17/36/897131736.db2.gz CQCJIMZURJTKGZ-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001373887808 897133109 /nfs/dbraw/zinc/13/31/09/897133109.db2.gz CCUOZYQXHIUQPB-ZDUSSCGKSA-N 2 0 270.377 -0.702 20 0 CBADRP C[NH+](C)CCC(=O)N[C@](C)(C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001373887888 897135174 /nfs/dbraw/zinc/13/51/74/897135174.db2.gz DENWAGZMDBGLFW-SWLSCSKDSA-N 2 0 296.415 -0.299 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001373976607 897144439 /nfs/dbraw/zinc/14/44/39/897144439.db2.gz XFLKEVJIGCYYBI-KGLIPLIRSA-N 2 0 299.415 -0.330 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001373974003 897145496 /nfs/dbraw/zinc/14/54/96/897145496.db2.gz LPTVIQNMZWCACM-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001374017630 897154024 /nfs/dbraw/zinc/15/40/24/897154024.db2.gz WRMZGWGFSUZURL-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001374017626 897154453 /nfs/dbraw/zinc/15/44/53/897154453.db2.gz WRMZGWGFSUZURL-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374027329 897158550 /nfs/dbraw/zinc/15/85/50/897158550.db2.gz ZMEZQJCSKLPMLN-QJPTWQEYSA-N 2 0 284.404 -0.586 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1cn(C)nn1 ZINC001374111779 897171921 /nfs/dbraw/zinc/17/19/21/897171921.db2.gz ZTOYPXYNYXOCMA-LBPRGKRZSA-N 2 0 294.403 -0.247 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1nncn1C ZINC001374111871 897171959 /nfs/dbraw/zinc/17/19/59/897171959.db2.gz GKUZWVYMTKOZRF-LBPRGKRZSA-N 2 0 296.419 -0.003 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)CC[NH+](C)C ZINC001374277061 897201460 /nfs/dbraw/zinc/20/14/60/897201460.db2.gz NLQSMRTYRBKQKC-NSHDSACASA-N 2 0 272.393 -0.537 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374281483 897203476 /nfs/dbraw/zinc/20/34/76/897203476.db2.gz OHPVHAPKOMSJDE-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001374287344 897207448 /nfs/dbraw/zinc/20/74/48/897207448.db2.gz MJMSRFQGOLSAPO-JTQLQIEISA-N 2 0 270.377 -0.750 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(=O)NC ZINC001374576450 897271070 /nfs/dbraw/zinc/27/10/70/897271070.db2.gz UNXZMFXPFMBWOZ-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC1CCOCC1 ZINC001374636136 897321900 /nfs/dbraw/zinc/32/19/00/897321900.db2.gz XUJLOFAVTIJHRT-ZIAGYGMSSA-N 2 0 299.415 -0.426 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCCOC1 ZINC001374642895 897323816 /nfs/dbraw/zinc/32/38/16/897323816.db2.gz OYACYYZRBVLCPN-QWHCGFSZSA-N 2 0 287.404 -0.569 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cncn1C)[NH+](C)C ZINC001374673036 897335991 /nfs/dbraw/zinc/33/59/91/897335991.db2.gz UBIAOFZEEQWJJJ-STQMWFEESA-N 2 0 297.403 -0.673 20 0 CBADRP CC(C)[NH+](C)CC(=O)N1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001374671550 897336244 /nfs/dbraw/zinc/33/62/44/897336244.db2.gz YJOVJDPYDAXLPH-UHFFFAOYSA-N 2 0 298.431 -0.006 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]C[C@H]1CCCCO1 ZINC001374684457 897342077 /nfs/dbraw/zinc/34/20/77/897342077.db2.gz MIKNLKKJYZFWFE-ZIAGYGMSSA-N 2 0 299.415 -0.282 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]C[C@@H]1CCCCO1 ZINC001374684414 897342591 /nfs/dbraw/zinc/34/25/91/897342591.db2.gz MIKNLKKJYZFWFE-KBPBESRZSA-N 2 0 299.415 -0.282 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccccn1 ZINC001374685914 897344190 /nfs/dbraw/zinc/34/41/90/897344190.db2.gz QKNBHNBZDZIWCE-AWEZNQCLSA-N 2 0 294.399 -0.012 20 0 CBADRP CC[C@H](C(=O)NC1CN(C(=O)[C@H](CC)[NH+](C)C)C1)[NH+](C)C ZINC001374695150 897346987 /nfs/dbraw/zinc/34/69/87/897346987.db2.gz TUZOJWXYRYECOS-OLZOCXBDSA-N 2 0 298.431 -0.006 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374756286 897374193 /nfs/dbraw/zinc/37/41/93/897374193.db2.gz MOINALDMTDFAEL-IJLUTSLNSA-N 2 0 284.404 -0.491 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374752815 897374300 /nfs/dbraw/zinc/37/43/00/897374300.db2.gz MMLNQTIXYRQEQP-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[C@H](C(=O)NC1CN(C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001374758377 897374664 /nfs/dbraw/zinc/37/46/64/897374664.db2.gz PWYSQNUZMMOZAU-CQSZACIVSA-N 2 0 298.431 -0.149 20 0 CBADRP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374752822 897375206 /nfs/dbraw/zinc/37/52/06/897375206.db2.gz MMLNQTIXYRQEQP-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001374756473 897375287 /nfs/dbraw/zinc/37/52/87/897375287.db2.gz NOIZIQSXHFLFTC-XBFCOCLRSA-N 2 0 299.415 -0.570 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374752820 897376714 /nfs/dbraw/zinc/37/67/14/897376714.db2.gz MMLNQTIXYRQEQP-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374811839 897400659 /nfs/dbraw/zinc/40/06/59/897400659.db2.gz YYUXKXNTISXRDE-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001374825926 897404226 /nfs/dbraw/zinc/40/42/26/897404226.db2.gz PMVKBTNTIUXCFK-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@H]([NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001374927413 897433770 /nfs/dbraw/zinc/43/37/70/897433770.db2.gz WKJQFTCVUGHULY-QWRGUYRKSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@@H]([NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001374927414 897435108 /nfs/dbraw/zinc/43/51/08/897435108.db2.gz WKJQFTCVUGHULY-WDEREUQCSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1cnnn1C ZINC001374950366 897437930 /nfs/dbraw/zinc/43/79/30/897437930.db2.gz GJIYSQUDGSAGLA-NSHDSACASA-N 2 0 282.392 -0.249 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374963012 897442843 /nfs/dbraw/zinc/44/28/43/897442843.db2.gz ZRJJURWAAUNCPL-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001374977185 897445963 /nfs/dbraw/zinc/44/59/63/897445963.db2.gz OOMYSWBOVADKIB-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001375251922 897503322 /nfs/dbraw/zinc/50/33/22/897503322.db2.gz NAXGHNKKSSDYBV-LBPRGKRZSA-N 2 0 296.415 -0.441 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+][C@@H](C)C(N)=O)C1CC1 ZINC001375277126 897506610 /nfs/dbraw/zinc/50/66/10/897506610.db2.gz JYKAUEJATMZFJS-CMPLNLGQSA-N 2 0 284.404 -0.315 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)[NH+](C)C ZINC001375503822 897556484 /nfs/dbraw/zinc/55/64/84/897556484.db2.gz XXJDSVZFNOHGPO-QNWHQSFQSA-N 2 0 296.415 -0.301 20 0 CBADRP O=C(C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1)NC1CC1 ZINC001375540778 897562814 /nfs/dbraw/zinc/56/28/14/897562814.db2.gz AJQRNKGRLDHKLK-UHFFFAOYSA-N 2 0 294.399 -0.401 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001375559413 897565998 /nfs/dbraw/zinc/56/59/98/897565998.db2.gz HGDHAVFDEIGIOA-WNGYAQOMSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001375759111 897603229 /nfs/dbraw/zinc/60/32/29/897603229.db2.gz ZEHTVWFYQJPGHF-YPMHNXCESA-N 2 0 296.415 -0.075 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001375764644 897603641 /nfs/dbraw/zinc/60/36/41/897603641.db2.gz ZRVHNMLRRQCPOF-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001375880235 897618672 /nfs/dbraw/zinc/61/86/72/897618672.db2.gz DMOPYRJFBOVLIE-AWEZNQCLSA-N 2 0 284.404 -0.358 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCCO)C1 ZINC001376043806 897640151 /nfs/dbraw/zinc/64/01/51/897640151.db2.gz BGQZJRQAVZBJMF-UKRRQHHQSA-N 2 0 299.415 -0.594 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+](CCCF)C1 ZINC001376074138 897645657 /nfs/dbraw/zinc/64/56/57/897645657.db2.gz AWUQQBXRCWUSIQ-CYBMUJFWSA-N 2 0 275.368 -0.149 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1CCN(CC(=O)NC2CC2)C1 ZINC001376152907 897677547 /nfs/dbraw/zinc/67/75/47/897677547.db2.gz OVQGRCQJRPXVHQ-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]([NH2+]CC(=O)NC)C1CC1)[NH+](C)C ZINC001376257912 897699289 /nfs/dbraw/zinc/69/92/89/897699289.db2.gz QVDHQWDSXVCORF-RYUDHWBXSA-N 2 0 284.404 -0.443 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376364246 897719155 /nfs/dbraw/zinc/71/91/55/897719155.db2.gz FDIJKYWRHGXWED-AVGNSLFASA-N 2 0 299.415 -0.285 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376363137 897719188 /nfs/dbraw/zinc/71/91/88/897719188.db2.gz AUEIXGUJUVAXQU-SRVKXCTJSA-N 2 0 296.415 -0.158 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001376370574 897719412 /nfs/dbraw/zinc/71/94/12/897719412.db2.gz VJFZIBINUSYCTI-NWDGAFQWSA-N 2 0 284.404 -0.632 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001376370577 897721077 /nfs/dbraw/zinc/72/10/77/897721077.db2.gz VJFZIBINUSYCTI-RYUDHWBXSA-N 2 0 284.404 -0.632 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001376377026 897722980 /nfs/dbraw/zinc/72/29/80/897722980.db2.gz RWUIBJNHMZDLQA-XWLWVQCSSA-N 2 0 270.377 -0.563 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001376391281 897723188 /nfs/dbraw/zinc/72/31/88/897723188.db2.gz HHWUZUBENFDDDL-NWDGAFQWSA-N 2 0 294.399 -0.593 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC001376392254 897723929 /nfs/dbraw/zinc/72/39/29/897723929.db2.gz WEXFDXUZHLWAST-DDHJBXDOSA-N 2 0 284.404 -0.317 20 0 CBADRP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001376418386 897729846 /nfs/dbraw/zinc/72/98/46/897729846.db2.gz NMZPAHKKIOCNRB-BETUJISGSA-N 2 0 296.415 -0.536 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001376460339 897747405 /nfs/dbraw/zinc/74/74/05/897747405.db2.gz DGVTUZMUYOVCPM-XQQFMLRXSA-N 2 0 294.399 -0.689 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001376469494 897749012 /nfs/dbraw/zinc/74/90/12/897749012.db2.gz NBGZWIOLINDHFG-FVCCEPFGSA-N 2 0 296.415 -0.158 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001376487835 897756383 /nfs/dbraw/zinc/75/63/83/897756383.db2.gz JUXFEVMRAKEYKN-FRRDWIJNSA-N 2 0 297.399 -0.674 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001376508399 897762999 /nfs/dbraw/zinc/76/29/99/897762999.db2.gz CCHIGDVXZIQPKL-BETUJISGSA-N 2 0 296.415 -0.158 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001376504745 897763541 /nfs/dbraw/zinc/76/35/41/897763541.db2.gz SMQODEUTUZOWGC-ZDEQEGDKSA-N 2 0 296.415 -0.158 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001376504734 897764850 /nfs/dbraw/zinc/76/48/50/897764850.db2.gz SMQODEUTUZOWGC-LPWJVIDDSA-N 2 0 296.415 -0.158 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001376556366 897776373 /nfs/dbraw/zinc/77/63/73/897776373.db2.gz BRSNICHFXAGYBA-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001376598818 897780722 /nfs/dbraw/zinc/78/07/22/897780722.db2.gz AIIQLSBQTFPZNL-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001376598830 897781260 /nfs/dbraw/zinc/78/12/60/897781260.db2.gz AIIQLSBQTFPZNL-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001376748362 897832160 /nfs/dbraw/zinc/83/21/60/897832160.db2.gz WCMKMPXZQVQLOE-LBPRGKRZSA-N 2 0 296.415 -0.025 20 0 CBADRP CC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001376758489 897836835 /nfs/dbraw/zinc/83/68/35/897836835.db2.gz GAIMJNVIXFKMSQ-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cnnn1C ZINC001376767243 897838660 /nfs/dbraw/zinc/83/86/60/897838660.db2.gz UKXNDPTZEUEPCK-YPMHNXCESA-N 2 0 294.403 -0.106 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001376803222 897851991 /nfs/dbraw/zinc/85/19/91/897851991.db2.gz OHEZHRAKZXUNKK-ZYHUDNBSSA-N 2 0 272.393 -0.587 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)CC2)CCC1 ZINC001376874862 897875266 /nfs/dbraw/zinc/87/52/66/897875266.db2.gz ALCJHTWGBCEUGC-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001376882182 897881694 /nfs/dbraw/zinc/88/16/94/897881694.db2.gz NOCJYDKIOHDYDD-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001376913607 897891084 /nfs/dbraw/zinc/89/10/84/897891084.db2.gz BNHIORMVQLEVJS-YPMHNXCESA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001376914285 897892383 /nfs/dbraw/zinc/89/23/83/897892383.db2.gz JIKQYGXIFFPKTE-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001376944980 897900464 /nfs/dbraw/zinc/90/04/64/897900464.db2.gz BEICXNNWUAKIFE-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001376970310 897904226 /nfs/dbraw/zinc/90/42/26/897904226.db2.gz XTTGYWRZWKAKLT-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(N)=O ZINC001377037543 897918917 /nfs/dbraw/zinc/91/89/17/897918917.db2.gz SKSZKJPGAXDTGI-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001377178648 897960158 /nfs/dbraw/zinc/96/01/58/897960158.db2.gz VYBAMHKETNJQEE-AWEZNQCLSA-N 2 0 287.404 -0.738 20 0 CBADRP COC[C@H](O)C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001377231849 897974371 /nfs/dbraw/zinc/97/43/71/897974371.db2.gz VNVXHRZTLZNKEV-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)C(N)=O)[NH+](C)C ZINC001377449037 898052310 /nfs/dbraw/zinc/05/23/10/898052310.db2.gz FVHNEHDUHAIXNH-HBNTYKKESA-N 2 0 272.393 -0.315 20 0 CBADRP CC[C@H]([NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001377575761 898089980 /nfs/dbraw/zinc/08/99/80/898089980.db2.gz JWTWEJZFFGBOOV-STQMWFEESA-N 2 0 296.415 -0.360 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CCC[NH+](C)C ZINC001377577888 898093211 /nfs/dbraw/zinc/09/32/11/898093211.db2.gz DWRHTBWVMJNKDO-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP CC(C)[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001377588465 898099423 /nfs/dbraw/zinc/09/94/23/898099423.db2.gz ILLVCDPHRTXLKN-VXGBXAGGSA-N 2 0 284.404 -0.491 20 0 CBADRP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCN(CC(N)=O)C1 ZINC001377650475 898108328 /nfs/dbraw/zinc/10/83/28/898108328.db2.gz CHNIZYAQVOEMDU-GFCCVEGCSA-N 2 0 284.404 -0.264 20 0 CBADRP CN(C)C(=O)C[NH2+]CC1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001377718769 898119802 /nfs/dbraw/zinc/11/98/02/898119802.db2.gz OJUWPZYJACIVEN-UHFFFAOYSA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001377732058 898123410 /nfs/dbraw/zinc/12/34/10/898123410.db2.gz QKVYDUBCXQPVKU-UHFFFAOYSA-N 2 0 270.377 -0.702 20 0 CBADRP CN(CCN1CC[NH+](CCO)CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001377740238 898124271 /nfs/dbraw/zinc/12/42/71/898124271.db2.gz LXYDAGAAKAOVLT-CQSZACIVSA-N 2 0 298.431 -0.994 20 0 CBADRP NC(=O)C[NH2+]CC1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001377733480 898124343 /nfs/dbraw/zinc/12/43/43/898124343.db2.gz LFFUMCRFCZEKPP-UHFFFAOYSA-N 2 0 296.415 -0.168 20 0 CBADRP CNC(=O)C[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001377796028 898140620 /nfs/dbraw/zinc/14/06/20/898140620.db2.gz NLCXTNKERYPXED-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)[NH2+]CC(N)=O ZINC001377841279 898147836 /nfs/dbraw/zinc/14/78/36/898147836.db2.gz WCJDNJGFWMMZBB-GHMZBOCLSA-N 2 0 284.404 -0.171 20 0 CBADRP COC[C@@H](O)C[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001378014061 898195980 /nfs/dbraw/zinc/19/59/80/898195980.db2.gz DAPCAWXHCFTIIO-OCCSQVGLSA-N 2 0 299.415 -0.617 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001378112930 898237858 /nfs/dbraw/zinc/23/78/58/898237858.db2.gz DVLRSURKGRJMRR-JHJVBQTASA-N 2 0 285.388 -0.722 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)N(C)CC(=O)N1CCCC1 ZINC001378118918 898246902 /nfs/dbraw/zinc/24/69/02/898246902.db2.gz BEWBSFIIENPEKI-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CNC(=O)CN(C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001378141057 898252571 /nfs/dbraw/zinc/25/25/71/898252571.db2.gz MLRGISMTCOLUCV-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378162585 898258103 /nfs/dbraw/zinc/25/81/03/898258103.db2.gz CJIGFMRJXXDWCC-CHWSQXEVSA-N 2 0 287.404 -0.522 20 0 CBADRP C[NH+](C)CCCC(=O)NC1(C[NH2+]CC(N)=O)CCCC1 ZINC001378377997 898324909 /nfs/dbraw/zinc/32/49/09/898324909.db2.gz UEFZXHGHKTXKQQ-UHFFFAOYSA-N 2 0 284.404 -0.168 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001378360604 898325950 /nfs/dbraw/zinc/32/59/50/898325950.db2.gz YDBHVJNKEYSLJK-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001378506896 898341838 /nfs/dbraw/zinc/34/18/38/898341838.db2.gz XUZKBTGXRJDEIA-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001378522827 898344395 /nfs/dbraw/zinc/34/43/95/898344395.db2.gz MFQXVQDJTSMDHI-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001378548330 898351673 /nfs/dbraw/zinc/35/16/73/898351673.db2.gz DTVYZDWYUABLHE-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001378599052 898363870 /nfs/dbraw/zinc/36/38/70/898363870.db2.gz MIQVBHXDFFSBIB-GHMZBOCLSA-N 2 0 284.404 -0.456 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001378619384 898368807 /nfs/dbraw/zinc/36/88/07/898368807.db2.gz VICNQNRRKITCQI-GHMZBOCLSA-N 2 0 295.387 -0.324 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001378619386 898370438 /nfs/dbraw/zinc/37/04/38/898370438.db2.gz VICNQNRRKITCQI-QWRGUYRKSA-N 2 0 295.387 -0.324 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001378619387 898370945 /nfs/dbraw/zinc/37/09/45/898370945.db2.gz VICNQNRRKITCQI-WDEREUQCSA-N 2 0 295.387 -0.324 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+]([C@H](C)C(N)=O)C[C@H]21 ZINC001378755003 898402502 /nfs/dbraw/zinc/40/25/02/898402502.db2.gz RIZOBNVEASRJMX-LPWJVIDDSA-N 2 0 296.415 -0.506 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CCO)C1 ZINC001378765132 898406742 /nfs/dbraw/zinc/40/67/42/898406742.db2.gz QDMOXYKUKIOWQK-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001378780253 898409157 /nfs/dbraw/zinc/40/91/57/898409157.db2.gz AMSQXCRUEWRKCG-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP C[NH+](C)CCC(=O)NC1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001378815867 898416049 /nfs/dbraw/zinc/41/60/49/898416049.db2.gz MAGXBJRXJOPEEF-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001378818121 898417040 /nfs/dbraw/zinc/41/70/40/898417040.db2.gz ZQIFSGJMBPVZMG-NWDGAFQWSA-N 2 0 298.431 -0.101 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001378854054 898424629 /nfs/dbraw/zinc/42/46/29/898424629.db2.gz XPFWUFIFFFOBHX-AVGNSLFASA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001378935454 898434379 /nfs/dbraw/zinc/43/43/79/898434379.db2.gz DQRDMGUNXLGSJW-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H](C)C(N)=O ZINC001379002613 898441452 /nfs/dbraw/zinc/44/14/52/898441452.db2.gz VZJRZIDOGDDLHX-NEPJUHHUSA-N 2 0 296.415 -0.314 20 0 CBADRP CN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001379027468 898450325 /nfs/dbraw/zinc/45/03/25/898450325.db2.gz SLTSJBUEGZDZDW-LLVKDONJSA-N 2 0 270.377 -0.750 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+](C)C(C)C ZINC001379059230 898453994 /nfs/dbraw/zinc/45/39/94/898453994.db2.gz QGNJRIVYRWRUKL-ZDUSSCGKSA-N 2 0 298.431 -0.101 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001379100313 898465889 /nfs/dbraw/zinc/46/58/89/898465889.db2.gz GGVFKSNGAVOXRQ-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CCNC(=O)CN(C)CCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001379128119 898468363 /nfs/dbraw/zinc/46/83/63/898468363.db2.gz UHHREXSTEWBJSX-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O ZINC001379134324 898472866 /nfs/dbraw/zinc/47/28/66/898472866.db2.gz JFCOEEBOPHQNMQ-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N(C)C ZINC001379199114 898501805 /nfs/dbraw/zinc/50/18/05/898501805.db2.gz PODDTMMWVHIQPT-VXGBXAGGSA-N 2 0 284.404 -0.395 20 0 CBADRP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)cn1 ZINC001379232283 898515723 /nfs/dbraw/zinc/51/57/23/898515723.db2.gz SSGMWIWICHRNOO-QWHCGFSZSA-N 2 0 295.387 -0.919 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)c1cnccn1 ZINC001379238542 898516323 /nfs/dbraw/zinc/51/63/23/898516323.db2.gz LHPDHTZWQKATKY-VXGBXAGGSA-N 2 0 295.387 -0.444 20 0 CBADRP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1conc1C)[NH+](C)C ZINC001379259149 898528525 /nfs/dbraw/zinc/52/85/25/898528525.db2.gz OFWZMSLSGNHMEC-CHWSQXEVSA-N 2 0 298.387 -0.110 20 0 CBADRP Cn1nccc1C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001379285289 898537610 /nfs/dbraw/zinc/53/76/10/898537610.db2.gz JVDNUAQFMLRXAG-ZDUSSCGKSA-N 2 0 295.387 -0.917 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001379358268 898570909 /nfs/dbraw/zinc/57/09/09/898570909.db2.gz ASTOZSFTPQAYNE-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)C[N@H+](C)C1CCC1 ZINC001379384491 898591750 /nfs/dbraw/zinc/59/17/50/898591750.db2.gz VVPWLZHONWUDTI-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001379446492 898616493 /nfs/dbraw/zinc/61/64/93/898616493.db2.gz CDZYKDAYZOGIGR-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379460479 898622292 /nfs/dbraw/zinc/62/22/92/898622292.db2.gz OITVJQAQKJBQPK-MNOVXSKESA-N 2 0 280.376 -0.639 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)CC[NH+]1CCCCC1 ZINC001379471080 898628740 /nfs/dbraw/zinc/62/87/40/898628740.db2.gz ZZEVBCKPXXCCBW-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1cncn1C ZINC001379527010 898658606 /nfs/dbraw/zinc/65/86/06/898658606.db2.gz SPSQUBGTZZKZGR-GFCCVEGCSA-N 2 0 297.403 -0.673 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001379549052 898663731 /nfs/dbraw/zinc/66/37/31/898663731.db2.gz AGCXQFORHQNIIU-RWMBFGLXSA-N 2 0 287.404 -0.570 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001379555159 898666347 /nfs/dbraw/zinc/66/63/47/898666347.db2.gz ZMWSNFBDYDOFKV-NSHDSACASA-N 2 0 286.420 -0.195 20 0 CBADRP COC[C@H](O)C[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001379760078 898724194 /nfs/dbraw/zinc/72/41/94/898724194.db2.gz CTPCERIRAKHSGI-CHWSQXEVSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@H](O)C[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001379760096 898724609 /nfs/dbraw/zinc/72/46/09/898724609.db2.gz CTPCERIRAKHSGI-QWHCGFSZSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H]([NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1)C(N)=O ZINC001379893192 898756246 /nfs/dbraw/zinc/75/62/46/898756246.db2.gz LEYJCUZTUKQVFC-PWSUYJOCSA-N 2 0 296.415 -0.314 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)N(C)C)C1CC1)[NH+](C)C ZINC001379901024 898756350 /nfs/dbraw/zinc/75/63/50/898756350.db2.gz XJBBHYQQRYBGSF-STQMWFEESA-N 2 0 298.431 -0.101 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)N2CCC2)CC1 ZINC001380067087 898799066 /nfs/dbraw/zinc/79/90/66/898799066.db2.gz LADUJBKPQMFWQD-LBPRGKRZSA-N 2 0 294.399 -0.449 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001380087504 898802768 /nfs/dbraw/zinc/80/27/68/898802768.db2.gz CYNZJEWZJFGPAU-NWDGAFQWSA-N 2 0 298.431 -0.195 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001380287526 898851849 /nfs/dbraw/zinc/85/18/49/898851849.db2.gz AMDKIDZUQOYORF-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C)C(N)=O ZINC001380295390 898851990 /nfs/dbraw/zinc/85/19/90/898851990.db2.gz XTRSXNWWIUYXJK-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001380287528 898852046 /nfs/dbraw/zinc/85/20/46/898852046.db2.gz AMDKIDZUQOYORF-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001380287529 898852332 /nfs/dbraw/zinc/85/23/32/898852332.db2.gz AMDKIDZUQOYORF-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C)C(N)=O ZINC001380295388 898852690 /nfs/dbraw/zinc/85/26/90/898852690.db2.gz XTRSXNWWIUYXJK-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP COCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001380572411 898904140 /nfs/dbraw/zinc/90/41/40/898904140.db2.gz MIBOCWOVFWARQT-TZMCWYRMSA-N 2 0 285.388 -0.863 20 0 CBADRP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001380702936 898937543 /nfs/dbraw/zinc/93/75/43/898937543.db2.gz HBFUHMNDHGOANV-TXEJJXNPSA-N 2 0 282.388 -0.796 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCN1CCC([NH2+]CCO)CC1 ZINC001380711585 898938480 /nfs/dbraw/zinc/93/84/80/898938480.db2.gz ITNKKOLSKOMMOG-CQSZACIVSA-N 2 0 298.431 -0.757 20 0 CBADRP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@H]1CCN(C)C1=O ZINC001381211660 899014389 /nfs/dbraw/zinc/01/43/89/899014389.db2.gz YGXIZVXHMYAGST-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](O)C[NH+]1CCC(CO)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001381269739 899022904 /nfs/dbraw/zinc/02/29/04/899022904.db2.gz ZOTNAKDEPIXOEW-ZDUSSCGKSA-N 2 0 299.415 -0.594 20 0 CBADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001381448359 899053762 /nfs/dbraw/zinc/05/37/62/899053762.db2.gz MGOAJANGBQDBBJ-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001381564682 899087334 /nfs/dbraw/zinc/08/73/34/899087334.db2.gz LRLJCCCNDDMQAD-WDEREUQCSA-N 2 0 272.393 -0.362 20 0 CBADRP C[NH+](C)CCC(=O)NC1(CCO)C[NH+](C[C@@H]2CCOC2)C1 ZINC001381684996 899106644 /nfs/dbraw/zinc/10/66/44/899106644.db2.gz IRZSTZBVPVVYKP-ZDUSSCGKSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@H]([NH2+]CCO)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001381937353 899131688 /nfs/dbraw/zinc/13/16/88/899131688.db2.gz SUJXUCCIVKJISW-NWDGAFQWSA-N 2 0 273.377 -0.864 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)NC)C[C@H]21 ZINC001381930170 899131997 /nfs/dbraw/zinc/13/19/97/899131997.db2.gz LFBUTSFMTNNQTJ-XYYAHUGASA-N 2 0 296.415 -0.632 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CCO)C1 ZINC001381950658 899134177 /nfs/dbraw/zinc/13/41/77/899134177.db2.gz UUHPEAZVILUCBB-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001381960008 899137471 /nfs/dbraw/zinc/13/74/71/899137471.db2.gz XNQNQZCQHVNWTQ-JHJVBQTASA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001381977482 899139741 /nfs/dbraw/zinc/13/97/41/899139741.db2.gz VHOYDTYQPXLJAM-HAQNSBGRSA-N 2 0 294.399 -0.687 20 0 CBADRP CNC(=O)C[N@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001381989290 899140095 /nfs/dbraw/zinc/14/00/95/899140095.db2.gz QUJILXKSZNUSRB-UHFFFAOYSA-N 2 0 296.415 -0.249 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001381976968 899140386 /nfs/dbraw/zinc/14/03/86/899140386.db2.gz VTOAQJQZMNBHGO-IJLUTSLNSA-N 2 0 282.388 -0.832 20 0 CBADRP CNC(=O)C[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001382051345 899145311 /nfs/dbraw/zinc/14/53/11/899145311.db2.gz TXSHAZSBADIAJP-CHWSQXEVSA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(N)=O ZINC001382114701 899160511 /nfs/dbraw/zinc/16/05/11/899160511.db2.gz DIPHBIZNOKSNAD-SNVBAGLBSA-N 2 0 270.377 -0.750 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001382163988 899167218 /nfs/dbraw/zinc/16/72/18/899167218.db2.gz RMOCUXZSJUBJAX-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001382163045 899167553 /nfs/dbraw/zinc/16/75/53/899167553.db2.gz VSIUZESNFQTXFV-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC(C)[NH2+][C@@H](CO)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001382206492 899195120 /nfs/dbraw/zinc/19/51/20/899195120.db2.gz IWMQKIREDMBMEN-GFCCVEGCSA-N 2 0 297.403 -0.467 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]CC[C@@H]1CCOC1 ZINC001382269693 899223408 /nfs/dbraw/zinc/22/34/08/899223408.db2.gz AEAQITSHLAEMPO-ZIAGYGMSSA-N 2 0 299.415 -0.425 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]C/C=C/Cl ZINC001382275961 899228894 /nfs/dbraw/zinc/22/88/94/899228894.db2.gz VHFIQJLRTMVVQZ-UFFNRZRYSA-N 2 0 275.780 -0.099 20 0 CBADRP CCC[NH2+][C@H](CO)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001382275251 899230593 /nfs/dbraw/zinc/23/05/93/899230593.db2.gz RBGVMDATHXWZQX-OLZOCXBDSA-N 2 0 287.404 -0.569 20 0 CBADRP CCN1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(C)C)C1 ZINC001382283348 899232564 /nfs/dbraw/zinc/23/25/64/899232564.db2.gz MRCGYZBEHXFMQM-CHWSQXEVSA-N 2 0 287.404 -0.570 20 0 CBADRP O=C(NC[C@H](CO)[NH2+]CC1CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001382281784 899234393 /nfs/dbraw/zinc/23/43/93/899234393.db2.gz XNJHXJDSZJLADW-HIFRSBDPSA-N 2 0 281.400 -0.051 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001382315097 899248049 /nfs/dbraw/zinc/24/80/49/899248049.db2.gz LOOGPWGZBDVPLK-RYUDHWBXSA-N 2 0 294.399 -0.593 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001382369146 899259434 /nfs/dbraw/zinc/25/94/34/899259434.db2.gz NSJXJRAJBFTGPD-NEPJUHHUSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC[NH+](CC(N)=O)CC1 ZINC001382551468 899324842 /nfs/dbraw/zinc/32/48/42/899324842.db2.gz MAZFAZMDVAQVET-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+](C)CCC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001385069378 899544290 /nfs/dbraw/zinc/54/42/90/899544290.db2.gz MIOQBVCZDCZZAM-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)CC[NH+](C)C ZINC001386194465 899634188 /nfs/dbraw/zinc/63/41/88/899634188.db2.gz GJRXBEKHCKYNBR-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)CC[NH+](C)C ZINC001386194466 899634002 /nfs/dbraw/zinc/63/40/02/899634002.db2.gz GJRXBEKHCKYNBR-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@H](C(=O)N(C)CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001386831516 899719039 /nfs/dbraw/zinc/71/90/39/899719039.db2.gz UKNTWIHAKJJHAE-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@H](C(=O)NCCN(C)C(=O)CC[NH+](C)C)[NH+](C)C ZINC001387855841 899842789 /nfs/dbraw/zinc/84/27/89/899842789.db2.gz QCBSGIRHLAKWSV-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001388414735 899887828 /nfs/dbraw/zinc/88/78/28/899887828.db2.gz YGRCKYRURMTXCU-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001388684043 899902426 /nfs/dbraw/zinc/90/24/26/899902426.db2.gz QUHIOJXPHQBYDX-TXEJJXNPSA-N 2 0 296.415 -0.441 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001388740525 899906477 /nfs/dbraw/zinc/90/64/77/899906477.db2.gz MATFBGWYRMOCCN-XUXIUFHCSA-N 2 0 299.415 -0.570 20 0 CBADRP CN(CCN(C)C(=O)CC[NH+](C)C)C(=O)CC[NH+](C)C ZINC001389012568 899922911 /nfs/dbraw/zinc/92/29/11/899922911.db2.gz GEKPHDRDEMHSFP-UHFFFAOYSA-N 2 0 286.420 -0.193 20 0 CBADRP CC[C@H](C(=O)NC1CN(C(=O)[C@@H](CC)[NH+](C)C)C1)[NH+](C)C ZINC001389315188 899991380 /nfs/dbraw/zinc/99/13/80/899991380.db2.gz TUZOJWXYRYECOS-CHWSQXEVSA-N 2 0 298.431 -0.006 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001389626111 900052084 /nfs/dbraw/zinc/05/20/84/900052084.db2.gz ACCYBXWPBXXSEY-NSHDSACASA-N 2 0 270.377 -0.832 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001389806898 900077499 /nfs/dbraw/zinc/07/74/99/900077499.db2.gz ZOECJNRNVMDXOL-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CC(N)=O)CC[C@H]21 ZINC001389949769 900098861 /nfs/dbraw/zinc/09/88/61/900098861.db2.gz JALKOAZRMQKAPP-QWHCGFSZSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@@H](NCc2nnn(C)n2)C1)[NH+](C)C ZINC001390015153 900103843 /nfs/dbraw/zinc/10/38/43/900103843.db2.gz YVGPRKVWBRCTAH-AXFHLTTASA-N 2 0 295.391 -0.713 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001390010703 900104471 /nfs/dbraw/zinc/10/44/71/900104471.db2.gz GWHMUWYFLILHIH-FIQHERPVSA-N 2 0 282.388 -0.691 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC(N)=O ZINC001390391139 900150542 /nfs/dbraw/zinc/15/05/42/900150542.db2.gz ABLLKDAUYOPJHP-AAEUAGOBSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC(N)=O ZINC001390391145 900151158 /nfs/dbraw/zinc/15/11/58/900151158.db2.gz ABLLKDAUYOPJHP-WCQYABFASA-N 2 0 296.415 -0.027 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001390411556 900155878 /nfs/dbraw/zinc/15/58/78/900155878.db2.gz XLRFFAFMLJERFG-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001390437668 900159374 /nfs/dbraw/zinc/15/93/74/900159374.db2.gz KDLMLRZILDREOW-WDEREUQCSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@H](C)C(N)=O ZINC001390437662 900160105 /nfs/dbraw/zinc/16/01/05/900160105.db2.gz KDLMLRZILDREOW-GHMZBOCLSA-N 2 0 282.388 -0.417 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001390463723 900166548 /nfs/dbraw/zinc/16/65/48/900166548.db2.gz OWPDLMXSBRJGEV-GFCCVEGCSA-N 2 0 298.431 -0.053 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001390517547 900179889 /nfs/dbraw/zinc/17/98/89/900179889.db2.gz YXLBWFRQAZVAOK-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NCC1CC1 ZINC001390522578 900180357 /nfs/dbraw/zinc/18/03/57/900180357.db2.gz RWHGUZNHGRCLPF-AAEUAGOBSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H](C)C(=O)N(C)C ZINC001390515402 900180985 /nfs/dbraw/zinc/18/09/85/900180985.db2.gz CABKTZGJLWDHKE-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1)C(=O)N(C)C ZINC001390515388 900181014 /nfs/dbraw/zinc/18/10/14/900181014.db2.gz CABKTZGJLWDHKE-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C ZINC001390510071 900181496 /nfs/dbraw/zinc/18/14/96/900181496.db2.gz OEIWDOKNXDBIOF-NWDGAFQWSA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001390535297 900183633 /nfs/dbraw/zinc/18/36/33/900183633.db2.gz DGKKPPNMPQYYPX-NEPJUHHUSA-N 2 0 286.420 -0.102 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001390616357 900196500 /nfs/dbraw/zinc/19/65/00/900196500.db2.gz QOIPBNNFDDONPU-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP C[NH+](C)CCC(=O)NCC[N@H+](C)C[C@H]1CCNC(=O)CC1 ZINC001390813379 900258090 /nfs/dbraw/zinc/25/80/90/900258090.db2.gz SRYKVKAJRINJJA-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391091090 900309166 /nfs/dbraw/zinc/30/91/66/900309166.db2.gz BSVOZQJBYYPTBM-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001391100709 900311075 /nfs/dbraw/zinc/31/10/75/900311075.db2.gz VVCVQHUTAFMJNO-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001391108525 900315627 /nfs/dbraw/zinc/31/56/27/900315627.db2.gz HCUZZQICIRDAEG-LLVKDONJSA-N 2 0 270.377 -0.748 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1)C(=O)N(C)C ZINC001391199894 900334438 /nfs/dbraw/zinc/33/44/38/900334438.db2.gz HQEFPLNYZDOSFG-LBPRGKRZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001391353057 900362014 /nfs/dbraw/zinc/36/20/14/900362014.db2.gz HQUNANVRJLHXQE-STQMWFEESA-N 2 0 296.415 -0.264 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001391371456 900364798 /nfs/dbraw/zinc/36/47/98/900364798.db2.gz QHJAMQDUKCKDSJ-MELADBBJSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001391622739 900422095 /nfs/dbraw/zinc/42/20/95/900422095.db2.gz NUDLYJCWJRXJRV-ZIAGYGMSSA-N 2 0 299.415 -0.378 20 0 CBADRP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(N)=O ZINC001391696133 900436280 /nfs/dbraw/zinc/43/62/80/900436280.db2.gz OSJJPOUEVUSVCB-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)C(=O)N(C)C ZINC001391726170 900437516 /nfs/dbraw/zinc/43/75/16/900437516.db2.gz VLIATKAESWKXIT-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001391726168 900437631 /nfs/dbraw/zinc/43/76/31/900437631.db2.gz VLIATKAESWKXIT-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001391808140 900450678 /nfs/dbraw/zinc/45/06/78/900450678.db2.gz UWVQJUDZWSWVFZ-AWEZNQCLSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001391808144 900451036 /nfs/dbraw/zinc/45/10/36/900451036.db2.gz UWVQJUDZWSWVFZ-CQSZACIVSA-N 2 0 284.404 -0.314 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001391862481 900453123 /nfs/dbraw/zinc/45/31/23/900453123.db2.gz ZTWCPFANHGCVOQ-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001391862491 900453447 /nfs/dbraw/zinc/45/34/47/900453447.db2.gz NPXWHGDXIYPWSF-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(N)=O ZINC001391892735 900461838 /nfs/dbraw/zinc/46/18/38/900461838.db2.gz GZXYKQIIWSNAOR-GMTAPVOTSA-N 2 0 270.377 -0.846 20 0 CBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+][C@H]1CCNC1=O ZINC001391927269 900463298 /nfs/dbraw/zinc/46/32/98/900463298.db2.gz VRMLLRIGGQCOGG-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]CC(=O)N(C)C ZINC001391909660 900464621 /nfs/dbraw/zinc/46/46/21/900464621.db2.gz BISKUKGSWDNTGJ-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001391948907 900469341 /nfs/dbraw/zinc/46/93/41/900469341.db2.gz JETFSIDSMDOPCE-QWRGUYRKSA-N 2 0 297.407 -0.608 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001391962097 900475648 /nfs/dbraw/zinc/47/56/48/900475648.db2.gz KQLOCOFNYKUWHD-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCC1)C(N)=O ZINC001392014074 900491477 /nfs/dbraw/zinc/49/14/77/900491477.db2.gz JEPDSQOIEIQEOD-VXGBXAGGSA-N 2 0 296.415 -0.027 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)C(=O)NC ZINC001392116223 900515480 /nfs/dbraw/zinc/51/54/80/900515480.db2.gz JJEKATSUPVNPGV-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001392133226 900520069 /nfs/dbraw/zinc/52/00/69/900520069.db2.gz MAYAOCYNNVIQFK-RYUDHWBXSA-N 2 0 294.403 -0.297 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001392132297 900520251 /nfs/dbraw/zinc/52/02/51/900520251.db2.gz LFJYZAFCFZNOOE-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)[C@H](C)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001392281010 900552398 /nfs/dbraw/zinc/55/23/98/900552398.db2.gz TYJLPHQXHFZVQM-FRRDWIJNSA-N 2 0 298.431 -0.149 20 0 CBADRP CNC(=O)CN(C)CCN(C)C(=O)Cn1ccnc1C ZINC001392326534 900563759 /nfs/dbraw/zinc/56/37/59/900563759.db2.gz KRHBFIATEHLHLP-UHFFFAOYSA-N 2 0 281.360 -0.672 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(=O)N(C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001392437392 900617076 /nfs/dbraw/zinc/61/70/76/900617076.db2.gz BWMOCRUVIUQHQX-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@@H](C(=O)N(CC)CC[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001392455129 900621641 /nfs/dbraw/zinc/62/16/41/900621641.db2.gz RNXNANQMYNLRFZ-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001392504059 900638860 /nfs/dbraw/zinc/63/88/60/900638860.db2.gz GMDNALLABFYEHK-LLVKDONJSA-N 2 0 272.393 -0.443 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001392525860 900648613 /nfs/dbraw/zinc/64/86/13/900648613.db2.gz PUDCQYMLEMCIIT-YPMHNXCESA-N 2 0 296.419 -0.004 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C ZINC001392569034 900664442 /nfs/dbraw/zinc/66/44/42/900664442.db2.gz VEZPMEJQOCEJBP-AVGNSLFASA-N 2 0 298.431 -0.102 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001392569037 900665152 /nfs/dbraw/zinc/66/51/52/900665152.db2.gz VEZPMEJQOCEJBP-XQQFMLRXSA-N 2 0 298.431 -0.102 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001392589627 900670985 /nfs/dbraw/zinc/67/09/85/900670985.db2.gz AGCXQFORHQNIIU-AGIUHOORSA-N 2 0 287.404 -0.570 20 0 CBADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001392599838 900673134 /nfs/dbraw/zinc/67/31/34/900673134.db2.gz PUDCQYMLEMCIIT-WCQYABFASA-N 2 0 296.419 -0.004 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001392600872 900674178 /nfs/dbraw/zinc/67/41/78/900674178.db2.gz PDEHRJYEJPOBNL-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001392806522 900727514 /nfs/dbraw/zinc/72/75/14/900727514.db2.gz XUFNZLIHKSTZEK-WCQYABFASA-N 2 0 296.415 -0.441 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)CC1 ZINC001392789707 900729285 /nfs/dbraw/zinc/72/92/85/900729285.db2.gz UFNZSNIOECEQAS-LBPRGKRZSA-N 2 0 282.388 -0.702 20 0 CBADRP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC(N)=O ZINC001392810489 900731722 /nfs/dbraw/zinc/73/17/22/900731722.db2.gz NLNQZRRZDNZIGO-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001392822135 900734144 /nfs/dbraw/zinc/73/41/44/900734144.db2.gz DCWXBNMRFVDRNG-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@H](C(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001392822465 900734690 /nfs/dbraw/zinc/73/46/90/900734690.db2.gz GZELUMCKVNDZHJ-YNEHKIRRSA-N 2 0 298.431 -0.101 20 0 CBADRP C[NH+](C)CCCC(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001456389047 914472767 /nfs/dbraw/zinc/47/27/67/914472767.db2.gz GBGXEEVBZLUVJB-UHFFFAOYSA-N 2 0 284.404 -0.393 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](C)CNC(=O)CC[NH+](C)C)[NH+](C)C ZINC001392964631 900769391 /nfs/dbraw/zinc/76/93/91/900769391.db2.gz VKANGTCKJRCKIM-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@]2(CC[NH+](CC(N)=O)C2)C1 ZINC001392994046 900771528 /nfs/dbraw/zinc/77/15/28/900771528.db2.gz UDPZPHOCOOPIQP-OAHLLOKOSA-N 2 0 296.415 -0.262 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@]2(CC[NH+](CC(N)=O)C2)C1 ZINC001392994044 900771784 /nfs/dbraw/zinc/77/17/84/900771784.db2.gz UDPZPHOCOOPIQP-HNNXBMFYSA-N 2 0 296.415 -0.262 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001393058407 900786609 /nfs/dbraw/zinc/78/66/09/900786609.db2.gz YMGWTAOSUHNYBL-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001393105089 900794663 /nfs/dbraw/zinc/79/46/63/900794663.db2.gz FUWWCVZEOVHIKE-OCCSQVGLSA-N 2 0 287.404 -0.474 20 0 CBADRP CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001393143614 900800754 /nfs/dbraw/zinc/80/07/54/900800754.db2.gz LSPFMTYWGRCZHM-IUODEOHRSA-N 2 0 296.415 -0.345 20 0 CBADRP COCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001393250433 900813930 /nfs/dbraw/zinc/81/39/30/900813930.db2.gz PLXDXQZPHAORPI-UMVBOHGHSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@@H](C)[NH2+]CCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001393471026 900864634 /nfs/dbraw/zinc/86/46/34/900864634.db2.gz XGOPKVALUJIGSB-CYBMUJFWSA-N 2 0 299.415 -0.472 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001393569820 900877742 /nfs/dbraw/zinc/87/77/42/900877742.db2.gz NTNPCTVARGYDDU-GFCCVEGCSA-N 2 0 296.415 -0.025 20 0 CBADRP COC[C@@H](O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001393568912 900877782 /nfs/dbraw/zinc/87/77/82/900877782.db2.gz HDUAGZAOUDVNIW-ZDUSSCGKSA-N 2 0 299.415 -0.282 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@@](CO)([NH2+]CCO)C1)[NH+](C)C ZINC001393704659 900896793 /nfs/dbraw/zinc/89/67/93/900896793.db2.gz AZHAYERKEGWXGC-GXTWGEPZSA-N 2 0 287.404 -0.738 20 0 CBADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1[NH2+]CC(N)=O ZINC001393746408 900903410 /nfs/dbraw/zinc/90/34/10/900903410.db2.gz JAVYYHOHKKAMKN-MNOVXSKESA-N 2 0 282.388 -0.750 20 0 CBADRP CC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001393824055 900913882 /nfs/dbraw/zinc/91/38/82/900913882.db2.gz AIXYMALRRQDARU-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(N)=O ZINC001393829466 900913924 /nfs/dbraw/zinc/91/39/24/900913924.db2.gz COMJJKMPPBNISA-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001394004974 900948310 /nfs/dbraw/zinc/94/83/10/900948310.db2.gz URYHNPJPNTXNTF-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[C@H](C(=O)N(C)C1CN(C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001394050685 900958349 /nfs/dbraw/zinc/95/83/49/900958349.db2.gz FXUJMDPOIPDZPX-CYBMUJFWSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001394377912 901023322 /nfs/dbraw/zinc/02/33/22/901023322.db2.gz YXTJZHCRBXZTIT-HAQNSBGRSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001394438379 901026933 /nfs/dbraw/zinc/02/69/33/901026933.db2.gz DXEFGRWFAFTLCO-AAEUAGOBSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001394496392 901038234 /nfs/dbraw/zinc/03/82/34/901038234.db2.gz PUOHKWQXXNKYJS-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC(N)=O ZINC001394507115 901043373 /nfs/dbraw/zinc/04/33/73/901043373.db2.gz SYUPOXUNJGTIAH-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001394536652 901047412 /nfs/dbraw/zinc/04/74/12/901047412.db2.gz JQEWBMAXZBJOJP-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001394536657 901048071 /nfs/dbraw/zinc/04/80/71/901048071.db2.gz JQEWBMAXZBJOJP-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001394670398 901115138 /nfs/dbraw/zinc/11/51/38/901115138.db2.gz LZDIBNLQYXVRSJ-NWDGAFQWSA-N 2 0 296.415 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)[C@H]1C ZINC001394681955 901120036 /nfs/dbraw/zinc/12/00/36/901120036.db2.gz UYAWHBDJSZNGAG-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CCO)[NH+](C)C ZINC001394780011 901155558 /nfs/dbraw/zinc/15/55/58/901155558.db2.gz CPSBWTPTLGNJIW-NWDGAFQWSA-N 2 0 275.393 -0.930 20 0 CBADRP CC[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CCO)[NH+](C)C ZINC001394780007 901155809 /nfs/dbraw/zinc/15/58/09/901155809.db2.gz CPSBWTPTLGNJIW-NEPJUHHUSA-N 2 0 275.393 -0.930 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001394808650 901158247 /nfs/dbraw/zinc/15/82/47/901158247.db2.gz CNEPUOWMZFEZSV-MNOVXSKESA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001394852578 901164918 /nfs/dbraw/zinc/16/49/18/901164918.db2.gz WEVOXPGLHDHXQY-HTAVTVPLSA-N 2 0 282.388 -0.594 20 0 CBADRP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2cn(C)nn2)C1 ZINC001394857373 901165592 /nfs/dbraw/zinc/16/55/92/901165592.db2.gz HSXWVMBWLVCIRT-UHFFFAOYSA-N 2 0 294.403 -0.154 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001396938329 901349491 /nfs/dbraw/zinc/34/94/91/901349491.db2.gz KKBXOLNWHMFWPW-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001397097462 901362405 /nfs/dbraw/zinc/36/24/05/901362405.db2.gz MATFBGWYRMOCCN-YIYPIFLZSA-N 2 0 299.415 -0.570 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC)C1)[NH+](C)C ZINC001397066626 901363372 /nfs/dbraw/zinc/36/33/72/901363372.db2.gz XJXBLMVFJSNEPA-WUHRBBMRSA-N 2 0 298.431 -0.055 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001397130808 901367495 /nfs/dbraw/zinc/36/74/95/901367495.db2.gz NNAFBGXCCHYQAJ-JHJVBQTASA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001397736470 901447178 /nfs/dbraw/zinc/44/71/78/901447178.db2.gz ZHMPCTRVWZLCIR-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001398389248 901534408 /nfs/dbraw/zinc/53/44/08/901534408.db2.gz AIFFKRGSMOLIJB-CHWSQXEVSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H]([NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1)C(N)=O ZINC001398436110 901538221 /nfs/dbraw/zinc/53/82/21/901538221.db2.gz MBUXLAODFCXDQX-JQWIXIFHSA-N 2 0 296.415 -0.314 20 0 CBADRP CC[C@H](C(=O)NC[C@H]([NH2+]CC(=O)N(C)C)C1CC1)[NH+](C)C ZINC001398444673 901540818 /nfs/dbraw/zinc/54/08/18/901540818.db2.gz HSCIKZDGYIPGIP-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001398450029 901541803 /nfs/dbraw/zinc/54/18/03/901541803.db2.gz KRJMXJYAUDKUGS-CHWSQXEVSA-N 2 0 296.415 -0.170 20 0 CBADRP COC[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001398484979 901544212 /nfs/dbraw/zinc/54/42/12/901544212.db2.gz YZMJMBADTRMEDY-MJBXVCDLSA-N 2 0 299.415 -0.379 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001398536298 901549614 /nfs/dbraw/zinc/54/96/14/901549614.db2.gz WAAWEDRMWJNNLF-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001398534864 901550924 /nfs/dbraw/zinc/55/09/24/901550924.db2.gz UKYCCNRXPLPVGZ-NEPJUHHUSA-N 2 0 284.404 -0.348 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@H](O)COC)C1)[NH+](C)C ZINC001398526724 901551433 /nfs/dbraw/zinc/55/14/33/901551433.db2.gz CEERSULUDJUWBI-AVGNSLFASA-N 2 0 287.404 -0.476 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001398551544 901558507 /nfs/dbraw/zinc/55/85/07/901558507.db2.gz DQTXIFMSVUHXCP-XDQVBPFNSA-N 2 0 299.415 -0.428 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1)C(=O)N(C)C ZINC001398557784 901559423 /nfs/dbraw/zinc/55/94/23/901559423.db2.gz NKGGZSAWPCGQGL-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001398562211 901562759 /nfs/dbraw/zinc/56/27/59/901562759.db2.gz GSGDEZWCPHWDKL-SRVKXCTJSA-N 2 0 296.415 -0.171 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001398572840 901564206 /nfs/dbraw/zinc/56/42/06/901564206.db2.gz JCMJYSHMLYRVHE-HAQNSBGRSA-N 2 0 282.388 -0.416 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001398605542 901572767 /nfs/dbraw/zinc/57/27/67/901572767.db2.gz PKTBXNICPGEMSM-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001398665384 901584418 /nfs/dbraw/zinc/58/44/18/901584418.db2.gz LCORCVYAQLILSO-GRYCIOLGSA-N 2 0 282.388 -0.548 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001398667110 901587076 /nfs/dbraw/zinc/58/70/76/901587076.db2.gz CQUWPGVKDIZOHG-SDDRHHMPSA-N 2 0 284.404 -0.301 20 0 CBADRP CC[N@H+](C)CCC(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001398697984 901590277 /nfs/dbraw/zinc/59/02/77/901590277.db2.gz UXLBEOPONAVIDX-UHFFFAOYSA-N 2 0 284.404 -0.393 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001398721171 901596938 /nfs/dbraw/zinc/59/69/38/901596938.db2.gz BRSNICHFXAGYBA-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCN1CCCC1=O ZINC001399013373 901649500 /nfs/dbraw/zinc/64/95/00/901649500.db2.gz HMNIGZPGVMYTMF-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001399122349 901669572 /nfs/dbraw/zinc/66/95/72/901669572.db2.gz QXDWMCZAIOFNEP-WDEREUQCSA-N 2 0 270.377 -0.832 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cnnn1C ZINC001399130250 901674586 /nfs/dbraw/zinc/67/45/86/901674586.db2.gz ZIPPRQLURZLYEH-NSHDSACASA-N 2 0 280.376 -0.495 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C ZINC001399163390 901676094 /nfs/dbraw/zinc/67/60/94/901676094.db2.gz NQESKRPLJXJEDA-NSHDSACASA-N 2 0 272.393 -0.491 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001399172790 901680626 /nfs/dbraw/zinc/68/06/26/901680626.db2.gz LDKFONCWFIOSNH-WDEREUQCSA-N 2 0 270.377 -0.737 20 0 CBADRP CC1CC[NH+](CC(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001399245879 901686048 /nfs/dbraw/zinc/68/60/48/901686048.db2.gz PFYKKQZLWMHTKS-CYBMUJFWSA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001399230684 901686351 /nfs/dbraw/zinc/68/63/51/901686351.db2.gz CKVMPPYZPOODLM-RYUDHWBXSA-N 2 0 296.415 -0.360 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001399303889 901693781 /nfs/dbraw/zinc/69/37/81/901693781.db2.gz CVMSKRPUBOHKEG-YPMHNXCESA-N 2 0 296.415 -0.441 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(N)=O ZINC001399338536 901702952 /nfs/dbraw/zinc/70/29/52/901702952.db2.gz GTJYYMYQIOLGDJ-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001399416355 901713253 /nfs/dbraw/zinc/71/32/53/901713253.db2.gz OJJRTKKHPFPIOX-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CCn1cncn1 ZINC001399432692 901714047 /nfs/dbraw/zinc/71/40/47/901714047.db2.gz WBBYSJQWBORZPX-ZDUSSCGKSA-N 2 0 294.403 -0.142 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001457347798 914558916 /nfs/dbraw/zinc/55/89/16/914558916.db2.gz XUIBTJVBHOOPOL-CHWSQXEVSA-N 2 0 298.431 -0.242 20 0 CBADRP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCN2C[C@@H]3C)C1 ZINC001457420102 914559796 /nfs/dbraw/zinc/55/97/96/914559796.db2.gz ZRTKVQVJZPGFSY-BFHYXJOUSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)CCn2cncn2)C1 ZINC001399573103 901753166 /nfs/dbraw/zinc/75/31/66/901753166.db2.gz DPAVFEFRBYQBMB-ZDUSSCGKSA-N 2 0 294.403 -0.332 20 0 CBADRP CC(C)(C(=O)NC[C@@H]1CCCN1CC(N)=O)[NH+]1CCCC1 ZINC001399887152 901825599 /nfs/dbraw/zinc/82/55/99/901825599.db2.gz ZRWMSUUUALIPQE-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001399942067 901839505 /nfs/dbraw/zinc/83/95/05/901839505.db2.gz XKWXTYWFFHGNNE-MNOVXSKESA-N 2 0 270.377 -0.750 20 0 CBADRP CC[NH+](CC)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001399971387 901845207 /nfs/dbraw/zinc/84/52/07/901845207.db2.gz GZJLYMSALMGLMZ-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001400054862 901867054 /nfs/dbraw/zinc/86/70/54/901867054.db2.gz MQBNKGNCQHGIHH-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001400065970 901869203 /nfs/dbraw/zinc/86/92/03/901869203.db2.gz FQDNSXXVFQPWGF-RYUDHWBXSA-N 2 0 284.404 -0.395 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001400063715 901870684 /nfs/dbraw/zinc/87/06/84/901870684.db2.gz FYDRHLSJKSPXRV-GHMZBOCLSA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C)C(N)=O ZINC001400075183 901874511 /nfs/dbraw/zinc/87/45/11/901874511.db2.gz ZJHOONUGQWCQEV-LLVKDONJSA-N 2 0 286.420 -0.114 20 0 CBADRP C[N@@H+](CC(N)=O)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001400245285 901903001 /nfs/dbraw/zinc/90/30/01/901903001.db2.gz GZHPIFIVZPEBQA-ZDUSSCGKSA-N 2 0 296.415 -0.406 20 0 CBADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001400594454 901976394 /nfs/dbraw/zinc/97/63/94/901976394.db2.gz VTEMQMXBHGENPT-XUXIUFHCSA-N 2 0 297.399 -0.770 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001400660903 901990540 /nfs/dbraw/zinc/99/05/40/901990540.db2.gz GGMVFBLNNOSWPW-AAVRWANBSA-N 2 0 299.415 -0.476 20 0 CBADRP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H]1CCNC1=O ZINC001400841145 902025370 /nfs/dbraw/zinc/02/53/70/902025370.db2.gz BKEKMVSBUURXMD-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(=O)NC ZINC001400873377 902031691 /nfs/dbraw/zinc/03/16/91/902031691.db2.gz ZRXHHPCGBJMFIY-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001401004852 902038918 /nfs/dbraw/zinc/03/89/18/902038918.db2.gz XRDSMWGBXOQDFU-SWLSCSKDSA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001401004864 902040723 /nfs/dbraw/zinc/04/07/23/902040723.db2.gz XRDSMWGBXOQDFU-WFASDCNBSA-N 2 0 296.415 -0.170 20 0 CBADRP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001401106561 902054675 /nfs/dbraw/zinc/05/46/75/902054675.db2.gz JFVRBZPIZSQXBS-RYUDHWBXSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001401117672 902056931 /nfs/dbraw/zinc/05/69/31/902056931.db2.gz WRLRDSJEIYQKCI-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H]1CCCNC1=O ZINC001401128175 902060888 /nfs/dbraw/zinc/06/08/88/902060888.db2.gz OPEYTBUUZORKMP-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001401136969 902063824 /nfs/dbraw/zinc/06/38/24/902063824.db2.gz HHVSXYWHTJCUBK-AAEUAGOBSA-N 2 0 296.419 -0.003 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1)C(N)=O ZINC001401189306 902077446 /nfs/dbraw/zinc/07/74/46/902077446.db2.gz PWEUCVLVSBFPAV-NWDGAFQWSA-N 2 0 296.415 -0.170 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](CC)[NH+](C)C ZINC001401259947 902094414 /nfs/dbraw/zinc/09/44/14/902094414.db2.gz VQEGSYKKBRYYAO-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001401266416 902094501 /nfs/dbraw/zinc/09/45/01/902094501.db2.gz LZKBVOLKKZSXLB-GFCCVEGCSA-N 2 0 286.420 -0.149 20 0 CBADRP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)C(N)=O ZINC001401353094 902110588 /nfs/dbraw/zinc/11/05/88/902110588.db2.gz RZHNFHRNSRTOER-RYUDHWBXSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001401493237 902138553 /nfs/dbraw/zinc/13/85/53/902138553.db2.gz NRBNERWEFCEWCJ-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cccnc1 ZINC001401491560 902138835 /nfs/dbraw/zinc/13/88/35/902138835.db2.gz GWEGMSIMZKTGLV-KBPBESRZSA-N 2 0 292.383 -0.258 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001401607727 902184982 /nfs/dbraw/zinc/18/49/82/902184982.db2.gz HCIPOWZRGMTKNO-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401607729 902186338 /nfs/dbraw/zinc/18/63/38/902186338.db2.gz HCIPOWZRGMTKNO-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001401609654 902187893 /nfs/dbraw/zinc/18/78/93/902187893.db2.gz LFJANGKTVMSJKN-RYUDHWBXSA-N 2 0 284.404 -0.314 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001401646469 902203297 /nfs/dbraw/zinc/20/32/97/902203297.db2.gz HELDWSPEAQKFFZ-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@H]([NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001401637392 902203521 /nfs/dbraw/zinc/20/35/21/902203521.db2.gz HMEKSSANCYPUPN-WOPDTQHZSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001401653104 902208640 /nfs/dbraw/zinc/20/86/40/902208640.db2.gz KWDSWMMUWRMIKW-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001401670846 902219799 /nfs/dbraw/zinc/21/97/99/902219799.db2.gz RNYFKLYSMWVLNB-MNOVXSKESA-N 2 0 270.377 -0.832 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001401679128 902227738 /nfs/dbraw/zinc/22/77/38/902227738.db2.gz FCBNNAFNFYSYRV-TZMCWYRMSA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCCNC1=O)[NH+](C)C ZINC001401688752 902231147 /nfs/dbraw/zinc/23/11/47/902231147.db2.gz VDFRFIQGODHBJU-AVGNSLFASA-N 2 0 298.431 -0.055 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001401704682 902241781 /nfs/dbraw/zinc/24/17/81/902241781.db2.gz BFTJRTAPXJSTEQ-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001401847171 902288229 /nfs/dbraw/zinc/28/82/29/902288229.db2.gz VPEPHDFKTMPEQW-STQMWFEESA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001401959379 902324255 /nfs/dbraw/zinc/32/42/55/902324255.db2.gz NRLKAUZACUHJGG-RYUDHWBXSA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1)C(N)=O ZINC001401965245 902326383 /nfs/dbraw/zinc/32/63/83/902326383.db2.gz LACGTCXOEZILDG-LLVKDONJSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1)C(N)=O ZINC001401965246 902327622 /nfs/dbraw/zinc/32/76/22/902327622.db2.gz LACGTCXOEZILDG-NSHDSACASA-N 2 0 296.415 -0.027 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CC2)C1 ZINC001401979437 902331709 /nfs/dbraw/zinc/33/17/09/902331709.db2.gz PRNSHGLFUVZTOD-VXGBXAGGSA-N 2 0 296.415 -0.170 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001402059706 902345432 /nfs/dbraw/zinc/34/54/32/902345432.db2.gz MRNMCWIMMOYMOG-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001402058922 902348035 /nfs/dbraw/zinc/34/80/35/902348035.db2.gz PSRKAZKVWJADNQ-RYUDHWBXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+](C)CCCC(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001402274398 902403046 /nfs/dbraw/zinc/40/30/46/902403046.db2.gz XMFTVLNRJYJVES-AWEZNQCLSA-N 2 0 287.404 -0.736 20 0 CBADRP COC[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001402290716 902411353 /nfs/dbraw/zinc/41/13/53/902411353.db2.gz MUGHGPCRPNDNBT-HIFRSBDPSA-N 2 0 299.415 -0.330 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001402424692 902445742 /nfs/dbraw/zinc/44/57/42/902445742.db2.gz TUUQGQPVIGQUCC-OLZOCXBDSA-N 2 0 298.431 -0.290 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001402463127 902456476 /nfs/dbraw/zinc/45/64/76/902456476.db2.gz QCVMAJZHGJLEEB-YPMHNXCESA-N 2 0 294.399 -0.593 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001402453632 902456891 /nfs/dbraw/zinc/45/68/91/902456891.db2.gz WRCSFPHQAGPACT-AGIUHOORSA-N 2 0 298.431 -0.006 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001402498678 902465807 /nfs/dbraw/zinc/46/58/07/902465807.db2.gz OJEVYYPYTVRDQS-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001402514274 902469246 /nfs/dbraw/zinc/46/92/46/902469246.db2.gz VRLZBPXMTXTMPM-ZDEQEGDKSA-N 2 0 298.431 -0.056 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001402574657 902480622 /nfs/dbraw/zinc/48/06/22/902480622.db2.gz LOOQQDAASCOBQG-FRRDWIJNSA-N 2 0 296.415 -0.156 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001402702633 902506012 /nfs/dbraw/zinc/50/60/12/902506012.db2.gz VEFWOUNECMCMDQ-QWHCGFSZSA-N 2 0 296.415 -0.358 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001402723199 902509501 /nfs/dbraw/zinc/50/95/01/902509501.db2.gz UAOVDMIRORARBY-OAHLLOKOSA-N 2 0 296.415 -0.262 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001402794406 902523337 /nfs/dbraw/zinc/52/33/37/902523337.db2.gz PKJJPAOANKPJGE-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001402824856 902528883 /nfs/dbraw/zinc/52/88/83/902528883.db2.gz XHNPYGMTXNLFSZ-XQQFMLRXSA-N 2 0 298.431 -0.055 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)[C@H]1CCC[NH+]1C ZINC001458250636 914634689 /nfs/dbraw/zinc/63/46/89/914634689.db2.gz TZEDDLNPLCUJLD-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001402908712 902560539 /nfs/dbraw/zinc/56/05/39/902560539.db2.gz QAFWVZOAQHTZTR-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP NC(=O)C[NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402955107 902571237 /nfs/dbraw/zinc/57/12/37/902571237.db2.gz YXTJVIVKLJLUJX-UHFFFAOYSA-N 2 0 280.372 -0.948 20 0 CBADRP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]CC(N)=O ZINC001402995345 902587421 /nfs/dbraw/zinc/58/74/21/902587421.db2.gz GWIDKGJNOOXFHU-UWVGGRQHSA-N 2 0 270.377 -0.561 20 0 CBADRP CNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001403053103 902602710 /nfs/dbraw/zinc/60/27/10/902602710.db2.gz GUQJXHCAXGTYGK-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CCN1CCNC1=O ZINC001403069477 902606476 /nfs/dbraw/zinc/60/64/76/902606476.db2.gz XUFBLHFIYITZNI-RYUDHWBXSA-N 2 0 299.419 -0.554 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001403083438 902608755 /nfs/dbraw/zinc/60/87/55/902608755.db2.gz LFDKDBYTQBJDJE-QWRGUYRKSA-N 2 0 272.393 -0.491 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001403074562 902610069 /nfs/dbraw/zinc/61/00/69/902610069.db2.gz YARGQVBZBBXLLC-WDEREUQCSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCn1cncn1 ZINC001403086457 902611356 /nfs/dbraw/zinc/61/13/56/902611356.db2.gz POUDABJYTYWGFG-GFCCVEGCSA-N 2 0 292.387 -0.532 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CCn1cncn1)[NH+](C)C ZINC001403089289 902612184 /nfs/dbraw/zinc/61/21/84/902612184.db2.gz HMYFRHQNJGRLMQ-OLZOCXBDSA-N 2 0 296.419 -0.041 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001403168067 902633877 /nfs/dbraw/zinc/63/38/77/902633877.db2.gz OYMKHXRZFGZKDF-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CNC(=O)[C@@H](C)N(C)[C@@H](C)CNC(=O)Cn1ccnc1 ZINC001403216080 902649830 /nfs/dbraw/zinc/64/98/30/902649830.db2.gz JLSXGLMCZJIOHF-WDEREUQCSA-N 2 0 281.360 -0.546 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001403213765 902650726 /nfs/dbraw/zinc/65/07/26/902650726.db2.gz SGTCLXLNCNUZBK-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001403217661 902651335 /nfs/dbraw/zinc/65/13/35/902651335.db2.gz VVZBHPXDQFNRSC-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC(N)=O)C2)CCC1 ZINC001403279466 902662302 /nfs/dbraw/zinc/66/23/02/902662302.db2.gz COLPQBXRJVMVMI-NWDGAFQWSA-N 2 0 296.415 -0.027 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001403320191 902669110 /nfs/dbraw/zinc/66/91/10/902669110.db2.gz CUJXKGWWKNVZHB-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001403465556 902695001 /nfs/dbraw/zinc/69/50/01/902695001.db2.gz JJCOGTHLFGUANK-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ncnn1C ZINC001403471042 902696020 /nfs/dbraw/zinc/69/60/20/902696020.db2.gz RXYNDQMYTJNPBE-LBPRGKRZSA-N 2 0 294.403 -0.105 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC001403486963 902698636 /nfs/dbraw/zinc/69/86/36/902698636.db2.gz LXXUVKMSIODBSG-GHMZBOCLSA-N 2 0 272.393 -0.315 20 0 CBADRP CN(C(=O)C[NH+]1CCCC1)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001403518860 902713544 /nfs/dbraw/zinc/71/35/44/902713544.db2.gz WBPHNOJMYVQNDN-LBPRGKRZSA-N 2 0 282.388 -0.606 20 0 CBADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001403534128 902714793 /nfs/dbraw/zinc/71/47/93/902714793.db2.gz UBFAQYIKDFIONV-VXGBXAGGSA-N 2 0 282.388 -0.608 20 0 CBADRP CCNC(=O)CN(C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001403576927 902738185 /nfs/dbraw/zinc/73/81/85/902738185.db2.gz OYWWOBGHFVXVNW-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[C@H]([NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001403593138 902744040 /nfs/dbraw/zinc/74/40/40/902744040.db2.gz DGACPEILLHNRPX-MNOVXSKESA-N 2 0 272.393 -0.362 20 0 CBADRP COC[C@H](O)C[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001403618776 902750480 /nfs/dbraw/zinc/75/04/80/902750480.db2.gz PHAFDTOECUPYPN-CYBMUJFWSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[C@H](C(=O)NCCN(C)CC(=O)NC1CC1)[NH+](C)C ZINC001403743864 902833571 /nfs/dbraw/zinc/83/35/71/902833571.db2.gz SWEIZNDNDWMDGA-GFCCVEGCSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@H](C(=O)NCCN(C)[C@@H](C)C(=O)NC)[NH+](C)C ZINC001403740084 902833919 /nfs/dbraw/zinc/83/39/19/902833919.db2.gz LBROQSWYZIRTQV-WDEREUQCSA-N 2 0 272.393 -0.491 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CCn2cncn2)CN1C(=O)CC[NH+](C)C ZINC001403750257 902838518 /nfs/dbraw/zinc/83/85/18/902838518.db2.gz RFXARUUKAAGDBK-STQMWFEESA-N 2 0 294.403 -0.191 20 0 CBADRP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)[C@@H]1CCN(C)C1=O ZINC001403953392 902910220 /nfs/dbraw/zinc/91/02/20/902910220.db2.gz UDTNCUAGOAAYJX-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP CCN1CCO[C@@H](C(=O)NCC[N@H+](CC)C[C@@H](C)O)C1 ZINC001403949903 902910505 /nfs/dbraw/zinc/91/05/05/902910505.db2.gz OMBYTDPTIFUDDQ-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H](C)C(=O)NC ZINC001403940785 902914181 /nfs/dbraw/zinc/91/41/81/902914181.db2.gz QHOSCEJZBJOIHV-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001404098301 902940540 /nfs/dbraw/zinc/94/05/40/902940540.db2.gz ZPVIOOOCCKCUGC-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001404169284 902951495 /nfs/dbraw/zinc/95/14/95/902951495.db2.gz DMSQASDAOMICQS-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCCN(C)C1=O)[NH+](C)C ZINC001404321938 902974635 /nfs/dbraw/zinc/97/46/35/902974635.db2.gz PAWWCGUNFAPTDZ-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001404519094 902994504 /nfs/dbraw/zinc/99/45/04/902994504.db2.gz PBPUVLVIPZYJBT-STQMWFEESA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001404519088 902996353 /nfs/dbraw/zinc/99/63/53/902996353.db2.gz PBPUVLVIPZYJBT-OLZOCXBDSA-N 2 0 296.415 -0.358 20 0 CBADRP CN(CCN1CC[NH+](CCO)CC1)C(=O)CC[NH+](C)C ZINC001404551619 902998322 /nfs/dbraw/zinc/99/83/22/902998322.db2.gz CUXSDLBHRSGIBD-UHFFFAOYSA-N 2 0 286.420 -0.994 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001404594979 903003745 /nfs/dbraw/zinc/00/37/45/903003745.db2.gz FRYTYALQSYGHDR-GFCCVEGCSA-N 2 0 294.399 -0.652 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001405166932 903095681 /nfs/dbraw/zinc/09/56/81/903095681.db2.gz CQNVTQBZWNFJHL-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@H](C)C(=O)NC ZINC001405287888 903137707 /nfs/dbraw/zinc/13/77/07/903137707.db2.gz JMPZJICIZBFZME-DGCLKSJQSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001405357044 903155280 /nfs/dbraw/zinc/15/52/80/903155280.db2.gz ZKBOQTYZLZFPDN-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001405357006 903155413 /nfs/dbraw/zinc/15/54/13/903155413.db2.gz ZKBOQTYZLZFPDN-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001405363859 903157272 /nfs/dbraw/zinc/15/72/72/903157272.db2.gz SBSKXNUURUAVMY-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+]CC(N)=O ZINC001405694269 903200784 /nfs/dbraw/zinc/20/07/84/903200784.db2.gz TUTCVJMJVQGWAE-NSHDSACASA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+](C)C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001405689183 903202754 /nfs/dbraw/zinc/20/27/54/903202754.db2.gz GNOCOEGCZLYPSM-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+](C)C)C[NH2+][C@H]1CCN(C)C1=O ZINC001405689182 903202976 /nfs/dbraw/zinc/20/29/76/903202976.db2.gz GNOCOEGCZLYPSM-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001405720233 903207454 /nfs/dbraw/zinc/20/74/54/903207454.db2.gz QODSOIBGKXTCOW-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001405723869 903208237 /nfs/dbraw/zinc/20/82/37/903208237.db2.gz VRTZPTROMLCGPV-VXGBXAGGSA-N 2 0 286.420 -0.197 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+][C@@H](C)C(N)=O ZINC001405723398 903208472 /nfs/dbraw/zinc/20/84/72/903208472.db2.gz BIQQEDXWHUSYTB-QWRGUYRKSA-N 2 0 282.388 -0.702 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001405748870 903214691 /nfs/dbraw/zinc/21/46/91/903214691.db2.gz ZFYOLHCPYXKREW-STQMWFEESA-N 2 0 298.431 -0.194 20 0 CBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+][C@@H]1CCNC1=O ZINC001405736088 903214733 /nfs/dbraw/zinc/21/47/33/903214733.db2.gz QACKZSADGAKYIS-VXGBXAGGSA-N 2 0 294.399 -0.687 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001406063908 903257750 /nfs/dbraw/zinc/25/77/50/903257750.db2.gz GNBSXQRJEHIPBB-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001406274811 903340563 /nfs/dbraw/zinc/34/05/63/903340563.db2.gz WQBPKCDTOIJKFC-AAEUAGOBSA-N 2 0 287.404 -0.834 20 0 CBADRP C[C@H](CC[NH2+][C@H]1CCCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001406310891 903350236 /nfs/dbraw/zinc/35/02/36/903350236.db2.gz JPRQCFQNWATBGK-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H]([NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001406308213 903350645 /nfs/dbraw/zinc/35/06/45/903350645.db2.gz FLYJTYCNJPDUTI-WDEREUQCSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001406303859 903351477 /nfs/dbraw/zinc/35/14/77/903351477.db2.gz BLPAAJQXUJLTTA-AAEUAGOBSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001406318516 903354782 /nfs/dbraw/zinc/35/47/82/903354782.db2.gz MFVFQZXMMXNOIV-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001406320346 903354813 /nfs/dbraw/zinc/35/48/13/903354813.db2.gz GMGUCKAUDXCYKL-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001406336013 903365883 /nfs/dbraw/zinc/36/58/83/903365883.db2.gz WPZDSXJQHFCAFA-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001406357839 903372470 /nfs/dbraw/zinc/37/24/70/903372470.db2.gz CQLHQLZTTHBNSJ-SNVBAGLBSA-N 2 0 270.377 -0.689 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001406371475 903376196 /nfs/dbraw/zinc/37/61/96/903376196.db2.gz XLZLGKFVXVJOJN-WOPDTQHZSA-N 2 0 284.404 -0.445 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001406394979 903390568 /nfs/dbraw/zinc/39/05/68/903390568.db2.gz WHLYIIONCYMPJG-NEPJUHHUSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CCC[NH+]1CCCC1 ZINC001406430536 903398197 /nfs/dbraw/zinc/39/81/97/903398197.db2.gz MMGIYVWRMWTIII-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001406500478 903417824 /nfs/dbraw/zinc/41/78/24/903417824.db2.gz YJQCKUODEJPWBW-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CC[NH+]1CCCCC1 ZINC001406563619 903432939 /nfs/dbraw/zinc/43/29/39/903432939.db2.gz SGDSNKHDACQEEK-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCCN(C)C1=O)NC(=O)C[NH+]1CCCC1 ZINC001406565255 903434570 /nfs/dbraw/zinc/43/45/70/903434570.db2.gz VSSIMGAOYSRUAV-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001406648762 903456463 /nfs/dbraw/zinc/45/64/63/903456463.db2.gz ARHDMNRNJYDMJO-GHMZBOCLSA-N 2 0 272.393 -0.362 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001406764450 903476315 /nfs/dbraw/zinc/47/63/15/903476315.db2.gz SHKYWNRNPFQOAU-OLZOCXBDSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001406780419 903479541 /nfs/dbraw/zinc/47/95/41/903479541.db2.gz PYSVDRDVIYTTFI-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001406783442 903479613 /nfs/dbraw/zinc/47/96/13/903479613.db2.gz IMAHEZYMPODUQS-OLZOCXBDSA-N 2 0 294.399 -0.545 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001406852144 903492260 /nfs/dbraw/zinc/49/22/60/903492260.db2.gz GVNJQWOCHZKUCN-UONOGXRCSA-N 2 0 299.415 -0.474 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NC2CC2)CC1 ZINC001406911241 903504522 /nfs/dbraw/zinc/50/45/22/903504522.db2.gz OFFCSPXAPZBCFU-LBPRGKRZSA-N 2 0 294.399 -0.402 20 0 CBADRP CN1CC[C@H]([NH2+]C2(CNC(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001406953844 903516867 /nfs/dbraw/zinc/51/68/67/903516867.db2.gz LHDCBQKHPPKZHM-NWDGAFQWSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1([NH2+]CCO)CC1 ZINC001406995680 903523992 /nfs/dbraw/zinc/52/39/92/903523992.db2.gz PZTSAKYGQSBILM-LBPRGKRZSA-N 2 0 285.388 -0.815 20 0 CBADRP CN1CC[C@H]([NH2+]C2(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001407012913 903525141 /nfs/dbraw/zinc/52/51/41/903525141.db2.gz LIHVGXSRRVBNMQ-RYUDHWBXSA-N 2 0 294.399 -0.593 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001407113634 903544189 /nfs/dbraw/zinc/54/41/89/903544189.db2.gz WDIKCVHWEDKSOK-OCCSQVGLSA-N 2 0 298.431 -0.101 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001407124405 903548175 /nfs/dbraw/zinc/54/81/75/903548175.db2.gz VJIWRKWQKIWXNY-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@H+](CC(=O)NC[C@H]1CN(CCO)CCO1)C1CCC1 ZINC001407488649 903618626 /nfs/dbraw/zinc/61/86/26/903618626.db2.gz KAABHHGHZGGNPN-ZDUSSCGKSA-N 2 0 285.388 -0.720 20 0 CBADRP C[NH+](C)C1(C(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)CCC1 ZINC001408037618 903695223 /nfs/dbraw/zinc/69/52/23/903695223.db2.gz NJUSFRZKIOMVGC-CQSZACIVSA-N 2 0 299.415 -0.594 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001408092305 903709823 /nfs/dbraw/zinc/70/98/23/903709823.db2.gz LNKVWXCKKIWLDX-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](O)C[NH+]1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001408283967 903741927 /nfs/dbraw/zinc/74/19/27/903741927.db2.gz ZVQRVCSNJVGYQX-GFCCVEGCSA-N 2 0 287.404 -0.738 20 0 CBADRP O=C(C[NH+]1CCCC1)NC1(CO)CC[NH+](CCCO)CC1 ZINC001408286617 903745750 /nfs/dbraw/zinc/74/57/50/903745750.db2.gz UNGGQORBXAWIKH-UHFFFAOYSA-N 2 0 299.415 -0.592 20 0 CBADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)NC(=O)CC[NH+](C)C ZINC001408336237 903754577 /nfs/dbraw/zinc/75/45/77/903754577.db2.gz SCNOSDLXTOZBJT-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001409447882 903901299 /nfs/dbraw/zinc/90/12/99/903901299.db2.gz NNMYYGWYCUEKCS-VXGBXAGGSA-N 2 0 298.431 -0.114 20 0 CBADRP CN(CC(C)(C)C[NH2+][C@@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001409438949 903901426 /nfs/dbraw/zinc/90/14/26/903901426.db2.gz FWFAYFAIHWLOPA-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)[NH2+]CC(N)=O ZINC001409443737 903902658 /nfs/dbraw/zinc/90/26/58/903902658.db2.gz CIDZESMWXFANJT-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N(C)CC(C)(C)C[NH2+]CC(N)=O)C1 ZINC001409436394 903904546 /nfs/dbraw/zinc/90/45/46/903904546.db2.gz ALCHXXFBEKXTKT-LBPRGKRZSA-N 2 0 298.431 -0.112 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCn1cncn1 ZINC001409535833 903920636 /nfs/dbraw/zinc/92/06/36/903920636.db2.gz ZQBGWNUEVLRTQI-STQMWFEESA-N 2 0 294.403 -0.191 20 0 CBADRP C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)[N@H+](C)CCO ZINC001409635483 903943897 /nfs/dbraw/zinc/94/38/97/903943897.db2.gz BGYMIFFQDWFMNN-LBPRGKRZSA-N 2 0 297.403 -0.513 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001410220716 904049274 /nfs/dbraw/zinc/04/92/74/904049274.db2.gz KVPTULSZWWCJQJ-FDYHWXHSSA-N 2 0 296.415 -0.301 20 0 CBADRP CC(C)[C@@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001410268203 904055175 /nfs/dbraw/zinc/05/51/75/904055175.db2.gz KRZURNLYXRZUSA-QWHCGFSZSA-N 2 0 298.431 -0.066 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001410478856 904105931 /nfs/dbraw/zinc/10/59/31/904105931.db2.gz ATONQEJTTINSPH-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001410496356 904111216 /nfs/dbraw/zinc/11/12/16/904111216.db2.gz FXRPVHJWMNIJMC-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CN1C(=O)Cc1cnc[nH]1 ZINC001410839459 904192867 /nfs/dbraw/zinc/19/28/67/904192867.db2.gz ACWZXESRWOVIRJ-CMPLNLGQSA-N 2 0 293.371 -0.381 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001411228213 904270554 /nfs/dbraw/zinc/27/05/54/904270554.db2.gz ZHMZVTCVVBHTMP-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)N(C)C(=O)CC[NH+](C)C ZINC001411506563 904309048 /nfs/dbraw/zinc/30/90/48/904309048.db2.gz FNDHWTOVJRBFFF-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)C[NH+]1CCCC1 ZINC001412703312 904673576 /nfs/dbraw/zinc/67/35/76/904673576.db2.gz QZJYYKBRTVZEBB-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP Nc1nc(N2CC[NH2+][C@@H](c3ccc(O)cc3)C2)nc(N)[nH+]1 ZINC001413919201 905270465 /nfs/dbraw/zinc/27/04/65/905270465.db2.gz QEXZGHABVPIWJI-SNVBAGLBSA-N 2 0 287.327 -0.108 20 0 CBADRP COCCN(C)C[C@@H](O)C[NH2+]C1(CC(=O)OC)CC1 ZINC001414009790 905319527 /nfs/dbraw/zinc/31/95/27/905319527.db2.gz GNUFBGGTJVRDKG-NSHDSACASA-N 2 0 274.361 -0.389 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)CNC(=O)CC[NH+](C)C ZINC001415259756 905593253 /nfs/dbraw/zinc/59/32/53/905593253.db2.gz YEQANDFQQICCMX-GFCCVEGCSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001415258482 905594309 /nfs/dbraw/zinc/59/43/09/905594309.db2.gz QGNHXDMQIGPXJK-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[C@H](C(=O)NCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001415557675 905638572 /nfs/dbraw/zinc/63/85/72/905638572.db2.gz FQOKEBKTIWYGJX-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001415615728 905648931 /nfs/dbraw/zinc/64/89/31/905648931.db2.gz UWUGPFDGFAZAFD-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP C[NH+](C)CCC(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001415997747 905692049 /nfs/dbraw/zinc/69/20/49/905692049.db2.gz WQQHSECJURALEC-NSHDSACASA-N 2 0 282.388 -0.783 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001416127273 905716396 /nfs/dbraw/zinc/71/63/96/905716396.db2.gz VGFXLQUKGFZOIA-UHFFFAOYSA-N 2 0 298.431 -0.147 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001417021521 905853041 /nfs/dbraw/zinc/85/30/41/905853041.db2.gz LWNSIUYPLIFHKO-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001417769569 906047037 /nfs/dbraw/zinc/04/70/37/906047037.db2.gz DDMHHFVFDXVOOG-XQQFMLRXSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001417794503 906054929 /nfs/dbraw/zinc/05/49/29/906054929.db2.gz BYAZBOGGUZKORA-SRVKXCTJSA-N 2 0 284.404 -0.443 20 0 CBADRP CNC(=O)CN1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001417913416 906100304 /nfs/dbraw/zinc/10/03/04/906100304.db2.gz KRGJSXSIODHZLR-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[N@H+](CC(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1)C1CCC1 ZINC001417980267 906132001 /nfs/dbraw/zinc/13/20/01/906132001.db2.gz ALLSIULKJWNIAM-LBPRGKRZSA-N 2 0 282.388 -0.560 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001417991646 906132403 /nfs/dbraw/zinc/13/24/03/906132403.db2.gz ANDSDHOLQUMBKD-GFCCVEGCSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001418010443 906135247 /nfs/dbraw/zinc/13/52/47/906135247.db2.gz PXACZNWWZYOOFK-YPMHNXCESA-N 2 0 281.400 -0.053 20 0 CBADRP Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)[nH]1 ZINC001418065644 906155842 /nfs/dbraw/zinc/15/58/42/906155842.db2.gz RIKDOEFMKAPHGK-XYPYZODXSA-N 2 0 280.376 -0.198 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001418074407 906160259 /nfs/dbraw/zinc/16/02/59/906160259.db2.gz KHRBBUAHPOROOO-JOCQHMNTSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001418105403 906173170 /nfs/dbraw/zinc/17/31/70/906173170.db2.gz RVDPOJNVYPOOAR-BETUJISGSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001418145143 906179879 /nfs/dbraw/zinc/17/98/79/906179879.db2.gz FTLGVSBRNSODEW-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001418137853 906181178 /nfs/dbraw/zinc/18/11/78/906181178.db2.gz NZGVSHVXRIBGLB-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001418232073 906228574 /nfs/dbraw/zinc/22/85/74/906228574.db2.gz BRKQOXIHIZKKHH-MNOVXSKESA-N 2 0 284.404 -0.301 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001418241455 906236118 /nfs/dbraw/zinc/23/61/18/906236118.db2.gz DMMXTXHYIVJELF-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001418303222 906270814 /nfs/dbraw/zinc/27/08/14/906270814.db2.gz RUWGUSLDGYVDAR-LLVKDONJSA-N 2 0 282.388 -0.687 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001418314127 906278293 /nfs/dbraw/zinc/27/82/93/906278293.db2.gz RGYDKIOAFOJCOK-QWRGUYRKSA-N 2 0 272.393 -0.445 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001418314876 906278699 /nfs/dbraw/zinc/27/86/99/906278699.db2.gz IWRNAFDYTJWGTR-LBPRGKRZSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001418345801 906291256 /nfs/dbraw/zinc/29/12/56/906291256.db2.gz CWZWEANHMVAXRT-DGCLKSJQSA-N 2 0 284.404 -0.504 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001418348897 906293072 /nfs/dbraw/zinc/29/30/72/906293072.db2.gz GSJULWMCOXJECM-STQMWFEESA-N 2 0 287.404 -0.617 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001418497077 906371618 /nfs/dbraw/zinc/37/16/18/906371618.db2.gz VXCBJAPJSOXYPC-STQMWFEESA-N 2 0 287.404 -0.617 20 0 CBADRP Cn1ccc(C[N@H+](C)CCNC(=O)CC[NH+](C)C)cc1=O ZINC001418496382 906372545 /nfs/dbraw/zinc/37/25/45/906372545.db2.gz ZCEKGGNBQOMQCD-UHFFFAOYSA-N 2 0 294.399 -0.115 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001418590859 906420371 /nfs/dbraw/zinc/42/03/71/906420371.db2.gz AMZFPMWCFQSXFP-CHWSQXEVSA-N 2 0 287.404 -0.522 20 0 CBADRP CN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001418637838 906432782 /nfs/dbraw/zinc/43/27/82/906432782.db2.gz GIZSMCYKOCSOBQ-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001418674531 906443905 /nfs/dbraw/zinc/44/39/05/906443905.db2.gz NBECXNFZYCJEBL-OLZOCXBDSA-N 2 0 287.404 -0.617 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001418692126 906449449 /nfs/dbraw/zinc/44/94/49/906449449.db2.gz RNCDNGRZMSAGOT-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001418694427 906449647 /nfs/dbraw/zinc/44/96/47/906449647.db2.gz VNSKYSWLXBAEGO-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001418692121 906451080 /nfs/dbraw/zinc/45/10/80/906451080.db2.gz RNCDNGRZMSAGOT-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001418707161 906454765 /nfs/dbraw/zinc/45/47/65/906454765.db2.gz ZIPXCGBXTMSNDK-GMTAPVOTSA-N 2 0 270.377 -0.704 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001418704564 906455407 /nfs/dbraw/zinc/45/54/07/906455407.db2.gz CMTUPHCMXPKOPS-JHJVBQTASA-N 2 0 296.415 -0.299 20 0 CBADRP O=C(CC[NH+]1CC[C@@H](F)C1)NCC[N@H+]1CC[C@H](O)C1 ZINC001418809660 906479033 /nfs/dbraw/zinc/47/90/33/906479033.db2.gz VLAQVOZXVUUVTA-NEPJUHHUSA-N 2 0 273.352 -0.397 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001418817100 906485312 /nfs/dbraw/zinc/48/53/12/906485312.db2.gz QZAZVZKHTNVGCC-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001418821635 906488255 /nfs/dbraw/zinc/48/82/55/906488255.db2.gz RRVFYNKIJIUALT-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001418821802 906491703 /nfs/dbraw/zinc/49/17/03/906491703.db2.gz MAUJPKFBIKCNCE-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)C(=O)NC1CC1 ZINC001418828685 906491835 /nfs/dbraw/zinc/49/18/35/906491835.db2.gz NGHRUBXKAPBOCK-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001418908251 906508110 /nfs/dbraw/zinc/50/81/10/906508110.db2.gz RXMLEKUHYUIUTJ-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001418906690 906512011 /nfs/dbraw/zinc/51/20/11/906512011.db2.gz VSSMLDDIYFEEDY-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP COC[C@@H](O)C[NH+]1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001419022782 906565864 /nfs/dbraw/zinc/56/58/64/906565864.db2.gz OBBAIQANEFSOFK-AWEZNQCLSA-N 2 0 299.415 -0.474 20 0 CBADRP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001419215972 906642257 /nfs/dbraw/zinc/64/22/57/906642257.db2.gz GDDRJIGPGNHIIU-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001419304538 906658233 /nfs/dbraw/zinc/65/82/33/906658233.db2.gz CVPWZGFHKCSUCR-YPMHNXCESA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001419304531 906659031 /nfs/dbraw/zinc/65/90/31/906659031.db2.gz CVPWZGFHKCSUCR-AAEUAGOBSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(=O)N(C)C ZINC001419367384 906669592 /nfs/dbraw/zinc/66/95/92/906669592.db2.gz RPCFZCYUZVLNAX-FRRDWIJNSA-N 2 0 296.415 -0.252 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001419373198 906672798 /nfs/dbraw/zinc/67/27/98/906672798.db2.gz BKYUHXYPVFAWBS-LBPRGKRZSA-N 2 0 294.399 -0.449 20 0 CBADRP CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001419420525 906682237 /nfs/dbraw/zinc/68/22/37/906682237.db2.gz YUVQCAVCNIVOAW-SRVKXCTJSA-N 2 0 282.388 -0.594 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nncn2C)C1)[NH+](C)C ZINC001419427514 906686731 /nfs/dbraw/zinc/68/67/31/906686731.db2.gz QYOKURRUOGKJTD-IJLUTSLNSA-N 2 0 294.403 -0.108 20 0 CBADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)C[NH2+][C@@H](C)C(N)=O ZINC001419465068 906696007 /nfs/dbraw/zinc/69/60/07/906696007.db2.gz DDYZTOGIXOMTFM-MNOVXSKESA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1)[NH+](C)C ZINC001419513936 906708253 /nfs/dbraw/zinc/70/82/53/906708253.db2.gz IUWPDNNZDAOQGM-QNWHQSFQSA-N 2 0 296.415 -0.158 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001419516834 906713435 /nfs/dbraw/zinc/71/34/35/906713435.db2.gz WLTADIXUFQGGIT-QWHCGFSZSA-N 2 0 298.431 -0.194 20 0 CBADRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+][C@H](C)C(N)=O ZINC001419521331 906713507 /nfs/dbraw/zinc/71/35/07/906713507.db2.gz YRXKHPWEZWKFJA-NWDGAFQWSA-N 2 0 298.431 -0.066 20 0 CBADRP CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001419544229 906716562 /nfs/dbraw/zinc/71/65/62/906716562.db2.gz LKUMTANRABHTMH-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001419537530 906718080 /nfs/dbraw/zinc/71/80/80/906718080.db2.gz DUXBXNUAOCKDCM-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@H+](CC(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001419560190 906726561 /nfs/dbraw/zinc/72/65/61/906726561.db2.gz HCJQVBUHAVNBKB-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001419575901 906733113 /nfs/dbraw/zinc/73/31/13/906733113.db2.gz YAXHANWOPHGNRK-JHJVBQTASA-N 2 0 296.415 -0.360 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001419703623 906773189 /nfs/dbraw/zinc/77/31/89/906773189.db2.gz NQNRHEUCEVZLBC-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001419740917 906798849 /nfs/dbraw/zinc/79/88/49/906798849.db2.gz NNXFKUKNHAULNM-YNEHKIRRSA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001419766016 906806963 /nfs/dbraw/zinc/80/69/63/906806963.db2.gz MQWDPUZCDUKARN-MNOVXSKESA-N 2 0 272.393 -0.363 20 0 CBADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H]1CCCNC1=O ZINC001419778410 906811464 /nfs/dbraw/zinc/81/14/64/906811464.db2.gz PXRQAOKKQIPSBR-WCQYABFASA-N 2 0 296.415 -0.156 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)[C@@H](C)C1 ZINC001419825569 906824012 /nfs/dbraw/zinc/82/40/12/906824012.db2.gz QEVVEAFESFWOMG-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001419834250 906826676 /nfs/dbraw/zinc/82/66/76/906826676.db2.gz VYYQTVDQIWOQIX-WDEREUQCSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)Nc1ccon1 ZINC001419843451 906831718 /nfs/dbraw/zinc/83/17/18/906831718.db2.gz SZJGBSGSUXVARW-JTQLQIEISA-N 2 0 297.359 -0.341 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001419848457 906833115 /nfs/dbraw/zinc/83/31/15/906833115.db2.gz JAXOEUWGHUBNKT-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)Nc1ccon1 ZINC001419843459 906833965 /nfs/dbraw/zinc/83/39/65/906833965.db2.gz SZJGBSGSUXVARW-SNVBAGLBSA-N 2 0 297.359 -0.341 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001419905290 906856219 /nfs/dbraw/zinc/85/62/19/906856219.db2.gz QUMWITBUHYYBRA-WDEREUQCSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCn1cncn1 ZINC001419917581 906860834 /nfs/dbraw/zinc/86/08/34/906860834.db2.gz FUGYJSGWJOBVJZ-LBPRGKRZSA-N 2 0 280.376 -0.532 20 0 CBADRP Cn1nccc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001420119038 906952867 /nfs/dbraw/zinc/95/28/67/906952867.db2.gz ZKYRBNKNYHBIIP-STQMWFEESA-N 2 0 295.387 -0.919 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(N)=O ZINC001420161610 906978048 /nfs/dbraw/zinc/97/80/48/906978048.db2.gz COMJJKMPPBNISA-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccns2)C1 ZINC001420187516 906999313 /nfs/dbraw/zinc/99/93/13/906999313.db2.gz FQUXOWIMQRZTHO-GHMZBOCLSA-N 2 0 298.412 -0.339 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001420243932 907042013 /nfs/dbraw/zinc/04/20/13/907042013.db2.gz NPCWDBCDVKDUGY-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001420298987 907087886 /nfs/dbraw/zinc/08/78/86/907087886.db2.gz KIWMRNIHKVXEGT-NEPJUHHUSA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001420329273 907104685 /nfs/dbraw/zinc/10/46/85/907104685.db2.gz LRNUGFKPVJHWGM-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001420347407 907113243 /nfs/dbraw/zinc/11/32/43/907113243.db2.gz ZMWSNFBDYDOFKV-LLVKDONJSA-N 2 0 286.420 -0.195 20 0 CBADRP CCCNC(=O)CN(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420345359 907115190 /nfs/dbraw/zinc/11/51/90/907115190.db2.gz MARINDFSDIOQKE-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420372279 907122519 /nfs/dbraw/zinc/12/25/19/907122519.db2.gz QBRLNEREWCMRSR-WOPDTQHZSA-N 2 0 273.377 -0.960 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CCC[NH+](C)C ZINC001420457991 907170652 /nfs/dbraw/zinc/17/06/52/907170652.db2.gz PODCIIQNNUILJP-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001420461447 907175043 /nfs/dbraw/zinc/17/50/43/907175043.db2.gz DJAYAMWDTUVWNI-RYUDHWBXSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001420535074 907196191 /nfs/dbraw/zinc/19/61/91/907196191.db2.gz DWUBUDKPXCEWDI-VXGBXAGGSA-N 2 0 282.388 -0.748 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001420537465 907203315 /nfs/dbraw/zinc/20/33/15/907203315.db2.gz NBECXNFZYCJEBL-CHWSQXEVSA-N 2 0 287.404 -0.617 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001420571873 907216188 /nfs/dbraw/zinc/21/61/88/907216188.db2.gz ZPQJZJREENETPO-NWDGAFQWSA-N 2 0 282.388 -0.748 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001420882658 907333516 /nfs/dbraw/zinc/33/35/16/907333516.db2.gz BZCKRIAQQIDTPA-QWHCGFSZSA-N 2 0 296.415 -0.358 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)Cc2[nH]cnc2C)CC1 ZINC001421000034 907388993 /nfs/dbraw/zinc/38/89/93/907388993.db2.gz WIGFSGSXEQKECB-UHFFFAOYSA-N 2 0 279.344 -0.755 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001421097037 907426560 /nfs/dbraw/zinc/42/65/60/907426560.db2.gz AATIGKJFBOQUSY-NEPJUHHUSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CC[NH+](C)C ZINC001421097224 907427476 /nfs/dbraw/zinc/42/74/76/907427476.db2.gz AULSLDYFWCVUFO-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC(N)=O ZINC001421434923 907546530 /nfs/dbraw/zinc/54/65/30/907546530.db2.gz HNDQETOTIFSWOU-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001421517527 907572944 /nfs/dbraw/zinc/57/29/44/907572944.db2.gz AMTZHGFMZINESS-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001421548772 907578788 /nfs/dbraw/zinc/57/87/88/907578788.db2.gz DNGHQVMQZOXXDM-STQMWFEESA-N 2 0 298.431 -0.242 20 0 CBADRP CNC(=O)C[NH2+]C[C@](C)(NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001421571914 907581200 /nfs/dbraw/zinc/58/12/00/907581200.db2.gz QOEDLCQTNOYRMW-HNNXBMFYSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001421698450 907618690 /nfs/dbraw/zinc/61/86/90/907618690.db2.gz HJJIXUMVEMTQOJ-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001421751045 907632247 /nfs/dbraw/zinc/63/22/47/907632247.db2.gz SYLZUPSOQGLYTL-LBPRGKRZSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1nncn1C ZINC001421765367 907635248 /nfs/dbraw/zinc/63/52/48/907635248.db2.gz FTJGXBRKWMAPJV-NEPJUHHUSA-N 2 0 294.403 -0.391 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1nncn1C ZINC001421765371 907637962 /nfs/dbraw/zinc/63/79/62/907637962.db2.gz FTJGXBRKWMAPJV-NWDGAFQWSA-N 2 0 294.403 -0.391 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1cnon1 ZINC001421770471 907641510 /nfs/dbraw/zinc/64/15/10/907641510.db2.gz OGUGXKPHEXERDD-MNOVXSKESA-N 2 0 281.360 -0.137 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC001421829530 907656162 /nfs/dbraw/zinc/65/61/62/907656162.db2.gz MMUCQWDKFKGEBA-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+]C[C@H](C)O)C1 ZINC001421829528 907658560 /nfs/dbraw/zinc/65/85/60/907658560.db2.gz MMUCQWDKFKGEBA-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@H]([NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001421924098 907682786 /nfs/dbraw/zinc/68/27/86/907682786.db2.gz CAMWOLDCUVMJFD-RYUDHWBXSA-N 2 0 286.420 -0.149 20 0 CBADRP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001422012540 907703876 /nfs/dbraw/zinc/70/38/76/907703876.db2.gz GYINKBMXPVUEFR-OLZOCXBDSA-N 2 0 298.431 -0.066 20 0 CBADRP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001422012538 907703905 /nfs/dbraw/zinc/70/39/05/907703905.db2.gz GYINKBMXPVUEFR-CHWSQXEVSA-N 2 0 298.431 -0.066 20 0 CBADRP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(N)=O ZINC001422111516 907722056 /nfs/dbraw/zinc/72/20/56/907722056.db2.gz XOSXMDZWSCYPMH-VXGBXAGGSA-N 2 0 284.404 -0.456 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(=O)N(C)C ZINC001422128022 907722499 /nfs/dbraw/zinc/72/24/99/907722499.db2.gz OFBMZQSHEGWKAS-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001422133994 907726485 /nfs/dbraw/zinc/72/64/85/907726485.db2.gz NDKLHNYXOMKJKT-LBPRGKRZSA-N 2 0 296.415 -0.441 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001422258661 907761944 /nfs/dbraw/zinc/76/19/44/907761944.db2.gz DLRPMAKWBZLOSN-IFWUJCSASA-N 2 0 296.415 -0.314 20 0 CBADRP NC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001422260260 907762341 /nfs/dbraw/zinc/76/23/41/907762341.db2.gz SQAZSXANRKDHMY-GDKBPFBDSA-N 2 0 294.399 -0.702 20 0 CBADRP C[N@H+](CC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCOC1)C1CCC1 ZINC001422321125 907797589 /nfs/dbraw/zinc/79/75/89/907797589.db2.gz WPXRQGYGTOBIMD-OCCSQVGLSA-N 2 0 299.415 -0.426 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001422390311 907840733 /nfs/dbraw/zinc/84/07/33/907840733.db2.gz QYIWUZNDRGELRG-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)[N@H+](C)CCO ZINC001422503845 907896241 /nfs/dbraw/zinc/89/62/41/907896241.db2.gz BFRMUVJKJXNJCB-GFCCVEGCSA-N 2 0 297.403 -0.513 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001422509543 907902355 /nfs/dbraw/zinc/90/23/55/907902355.db2.gz GWDLHULAZUGXGM-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C(N)=O ZINC001422546961 907919171 /nfs/dbraw/zinc/91/91/71/907919171.db2.gz MPCCKIKIPWPVCK-IJLUTSLNSA-N 2 0 286.420 -0.069 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001422549400 907919540 /nfs/dbraw/zinc/91/95/40/907919540.db2.gz KRPJQPFQTLNMLS-VOAKCMCISA-N 2 0 298.431 -0.055 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001422632025 907955482 /nfs/dbraw/zinc/95/54/82/907955482.db2.gz NUYMAIBJMHGQPD-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001422698259 907974815 /nfs/dbraw/zinc/97/48/15/907974815.db2.gz TYHLADQZMNRHED-QWRGUYRKSA-N 2 0 270.377 -0.737 20 0 CBADRP COCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001502600559 921371461 /nfs/dbraw/zinc/37/14/61/921371461.db2.gz XJHZXCWGOGHEFB-UKRRQHHQSA-N 2 0 299.415 -0.472 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001422889948 908046633 /nfs/dbraw/zinc/04/66/33/908046633.db2.gz KYXUTOSLOJWWES-XUXIUFHCSA-N 2 0 299.415 -0.428 20 0 CBADRP C[C@@H]([NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1)C(N)=O ZINC001422997172 908073024 /nfs/dbraw/zinc/07/30/24/908073024.db2.gz CFCGMPQCNJHOPO-PWSUYJOCSA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O ZINC001423046371 908090926 /nfs/dbraw/zinc/09/09/26/908090926.db2.gz ADWKYPHCWKPPRO-NWDGAFQWSA-N 2 0 284.404 -0.219 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001423068086 908099473 /nfs/dbraw/zinc/09/94/73/908099473.db2.gz YIXZSAYXTHVZSL-LLVKDONJSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001423171888 908123936 /nfs/dbraw/zinc/12/39/36/908123936.db2.gz VKPBCOCDXANVJT-NEPJUHHUSA-N 2 0 294.403 -0.297 20 0 CBADRP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCCNC1=O ZINC001423168487 908126189 /nfs/dbraw/zinc/12/61/89/908126189.db2.gz OUFWDCCIMCUKRJ-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CN1CC[C@@H]([NH2+]C2(CNC(=O)CCC[NH+](C)C)CC2)C1=O ZINC001423258489 908178342 /nfs/dbraw/zinc/17/83/42/908178342.db2.gz JUJIBKFLHZUKMJ-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001502738473 921386625 /nfs/dbraw/zinc/38/66/25/921386625.db2.gz PALGFESRVLCHNK-AAEUAGOBSA-N 2 0 296.415 -0.489 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)c1)[NH+](C)C ZINC001423263913 908182339 /nfs/dbraw/zinc/18/23/39/908182339.db2.gz OHRFUDVFYVQTND-STQMWFEESA-N 2 0 297.403 -0.673 20 0 CBADRP O=C(NC[C@@H](CO)[NH2+]C[C@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001423288883 908191358 /nfs/dbraw/zinc/19/13/58/908191358.db2.gz CABAGCDKFWUSBC-OLZOCXBDSA-N 2 0 297.399 -0.815 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC2CCOCC2)C1 ZINC001423307725 908198162 /nfs/dbraw/zinc/19/81/62/908198162.db2.gz QTZGONKBPYIOIH-UONOGXRCSA-N 2 0 299.415 -0.569 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CCC[NH+](C)C ZINC001423348595 908209044 /nfs/dbraw/zinc/20/90/44/908209044.db2.gz JOMJERBJLRFTEJ-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001423409169 908224075 /nfs/dbraw/zinc/22/40/75/908224075.db2.gz LHUUIOMVVYGEHV-NEPJUHHUSA-N 2 0 296.415 -0.312 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001423451823 908244951 /nfs/dbraw/zinc/24/49/51/908244951.db2.gz MUSKXEBSGXHUNM-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001423589519 908291470 /nfs/dbraw/zinc/29/14/70/908291470.db2.gz UFGAYCWFJUFHFY-RISCZKNCSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]([NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001423697634 908305552 /nfs/dbraw/zinc/30/55/52/908305552.db2.gz WCBPKXJHJFDBIJ-WHXUTIOJSA-N 2 0 270.377 -0.609 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]CCO)CC2)CC[N@@H+]1C ZINC001502870204 921400398 /nfs/dbraw/zinc/40/03/98/921400398.db2.gz HDIQLAUKERRXKG-CHWSQXEVSA-N 2 0 299.415 -0.738 20 0 CBADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001423975222 908377076 /nfs/dbraw/zinc/37/70/76/908377076.db2.gz PCFSQTHRUSKEHA-RYUDHWBXSA-N 2 0 296.415 -0.360 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001424038541 908395007 /nfs/dbraw/zinc/39/50/07/908395007.db2.gz GVXKMXVYEUUHMC-OLZOCXBDSA-N 2 0 298.431 -0.242 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001424038543 908395730 /nfs/dbraw/zinc/39/57/30/908395730.db2.gz GVXKMXVYEUUHMC-STQMWFEESA-N 2 0 298.431 -0.242 20 0 CBADRP CCN1CCO[C@H](C(=O)NCC2([NH2+]C[C@H](C)O)CCC2)C1 ZINC001424212909 908422267 /nfs/dbraw/zinc/42/22/67/908422267.db2.gz GPNFSMLICAZXEL-STQMWFEESA-N 2 0 299.415 -0.284 20 0 CBADRP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001424218056 908426096 /nfs/dbraw/zinc/42/60/96/908426096.db2.gz QJFJXUHMSBMRHB-STQMWFEESA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001424269322 908437061 /nfs/dbraw/zinc/43/70/61/908437061.db2.gz SEGCEEBOWMBWCC-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001424297408 908440345 /nfs/dbraw/zinc/44/03/45/908440345.db2.gz QILPWFIVFHLZBE-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CN(C)C(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001424714794 908491238 /nfs/dbraw/zinc/49/12/38/908491238.db2.gz FSLIKDAAAFYLGC-BPCQOVAHSA-N 2 0 296.415 -0.347 20 0 CBADRP Cn1nncc1C[NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001424730580 908493719 /nfs/dbraw/zinc/49/37/19/908493719.db2.gz GNXVDPPGPCWYOH-UHFFFAOYSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)[NH2+]CC(N)=O ZINC001424815200 908508193 /nfs/dbraw/zinc/50/81/93/908508193.db2.gz DXAZJZYJDVJNRP-QWRGUYRKSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@@H](C)[NH2+]CC(N)=O ZINC001424815184 908509576 /nfs/dbraw/zinc/50/95/76/908509576.db2.gz DXAZJZYJDVJNRP-GHMZBOCLSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001424882307 908521533 /nfs/dbraw/zinc/52/15/33/908521533.db2.gz GKZIZJHTCAPRFA-LLVKDONJSA-N 2 0 286.420 -0.114 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@@H]1CCNC1=O ZINC001425009443 908552365 /nfs/dbraw/zinc/55/23/65/908552365.db2.gz JZXCSWIPCZCALF-WDEREUQCSA-N 2 0 270.377 -0.737 20 0 CBADRP COC[C@H](O)C[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001425056148 908563061 /nfs/dbraw/zinc/56/30/61/908563061.db2.gz LJVYHACRPJJPLZ-CHWSQXEVSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@@H](O)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001425062847 908565086 /nfs/dbraw/zinc/56/50/86/908565086.db2.gz COIYKTVZJGQNLF-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP COC[C@H](O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001425246338 908591313 /nfs/dbraw/zinc/59/13/13/908591313.db2.gz UZARUBVOLWZEBD-IACUBPJLSA-N 2 0 299.415 -0.476 20 0 CBADRP CN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001425421401 908642449 /nfs/dbraw/zinc/64/24/49/908642449.db2.gz VVSCWPQFJINEMG-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)CC(N)=O)CC1 ZINC001425435236 908645183 /nfs/dbraw/zinc/64/51/83/908645183.db2.gz ZHKIEZYTELBNAM-UHFFFAOYSA-N 2 0 284.404 -0.264 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1)C(N)=O ZINC001425509198 908663836 /nfs/dbraw/zinc/66/38/36/908663836.db2.gz WYHRORCBWOTQOZ-DGCLKSJQSA-N 2 0 296.415 -0.217 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001425683380 908688565 /nfs/dbraw/zinc/68/85/65/908688565.db2.gz NPCDEEFGSYIZGF-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1)C(=O)N(C)C ZINC001425683516 908689830 /nfs/dbraw/zinc/68/98/30/908689830.db2.gz OEPXLXHVUKXGMW-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCC(=O)NC1CC(C[NH2+][C@H]2CCNC2=O)C1 ZINC001505516863 921433422 /nfs/dbraw/zinc/43/34/22/921433422.db2.gz NFRVQTYQILQLHL-MCIGGMRASA-N 2 0 282.388 -0.689 20 0 CBADRP C[NH+]1CCC(OCC(=O)NC[C@H](CO)[NH2+]CC2CC2)CC1 ZINC001425829371 908754336 /nfs/dbraw/zinc/75/43/36/908754336.db2.gz XIBCGGJLUZEJQA-CYBMUJFWSA-N 2 0 299.415 -0.426 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]CC1CCOCC1 ZINC001425853242 908765440 /nfs/dbraw/zinc/76/54/40/908765440.db2.gz NOBZKRKDCLZRSX-AWEZNQCLSA-N 2 0 299.415 -0.425 20 0 CBADRP CN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001426234718 908852527 /nfs/dbraw/zinc/85/25/27/908852527.db2.gz NQZRTSCAPKXUHW-BPCQOVAHSA-N 2 0 296.415 -0.252 20 0 CBADRP C[NH+](C)CCC(=O)NC1(C2CC[NH+](CC(N)=O)CC2)CC1 ZINC001426267419 908855229 /nfs/dbraw/zinc/85/52/29/908855229.db2.gz YJSPRDORFOGDHK-UHFFFAOYSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]CC(N)=O ZINC001505678617 921464085 /nfs/dbraw/zinc/46/40/85/921464085.db2.gz PEZUYARUBZBOBN-VHSXEESVSA-N 2 0 258.366 -0.704 20 0 CBADRP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]CC(N)=O ZINC001505678615 921464482 /nfs/dbraw/zinc/46/44/82/921464482.db2.gz PEZUYARUBZBOBN-NXEZZACHSA-N 2 0 258.366 -0.704 20 0 CBADRP CN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001429194623 909212068 /nfs/dbraw/zinc/21/20/68/909212068.db2.gz OXAWBRLJSMCWTO-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP CC[NH+](CC)CC(=O)NC1CN(C(=O)C[NH+](CC)CC)C1 ZINC001430198703 909312601 /nfs/dbraw/zinc/31/26/01/909312601.db2.gz UFSXIYMBSNNMTH-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]1CNC(=O)CC[NH+](C)C)[NH+](C)C ZINC001505868474 921490994 /nfs/dbraw/zinc/49/09/94/921490994.db2.gz ZEXYOPVYHNBGKP-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001431867360 909546620 /nfs/dbraw/zinc/54/66/20/909546620.db2.gz JSRUGJFFWZAVFT-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@@H]1CCNC1=O ZINC001506065072 921535861 /nfs/dbraw/zinc/53/58/61/921535861.db2.gz IPAZYADSWGGIGG-VXGBXAGGSA-N 2 0 284.404 -0.348 20 0 CBADRP C[N@H+](CC(=O)N1CC([NH2+][C@@H]2CCOC2)C1)[C@@H]1CCC[C@H]1O ZINC001434383527 910143521 /nfs/dbraw/zinc/14/35/21/910143521.db2.gz GICZDEALPMBOMA-MRVWCRGKSA-N 2 0 297.399 -0.579 20 0 CBADRP O[C@@H]1COCC[C@H]1[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC001434536493 910250480 /nfs/dbraw/zinc/25/04/80/910250480.db2.gz QNYSTPJVVLIXJM-MGPQQGTHSA-N 2 0 270.373 -0.021 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001436283190 910421977 /nfs/dbraw/zinc/42/19/77/910421977.db2.gz MQIFZJISLICLLQ-JHJVBQTASA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001436361414 910434889 /nfs/dbraw/zinc/43/48/89/910434889.db2.gz VEISWJQXXIEXOE-MBNYWOFBSA-N 2 0 298.431 -0.197 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001436393313 910437121 /nfs/dbraw/zinc/43/71/21/910437121.db2.gz VWZCNIPBQATXFS-XYPYZODXSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001436431699 910442155 /nfs/dbraw/zinc/44/21/55/910442155.db2.gz LQNDYFVIBAWOPO-FRRDWIJNSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)CCC(=O)NCCN1CC[NH+](CCCO)CC1 ZINC001436704016 910465925 /nfs/dbraw/zinc/46/59/25/910465925.db2.gz NBXMUSYNTSYLBI-UHFFFAOYSA-N 2 0 286.420 -0.946 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001436838290 910492119 /nfs/dbraw/zinc/49/21/19/910492119.db2.gz UAQSBERQELQEBF-AAEUAGOBSA-N 2 0 284.404 -0.458 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001436838302 910494284 /nfs/dbraw/zinc/49/42/84/910494284.db2.gz UAQSBERQELQEBF-WCQYABFASA-N 2 0 284.404 -0.458 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001436965827 910517716 /nfs/dbraw/zinc/51/77/16/910517716.db2.gz QLKPFMLIDUEGNK-PHIMTYICSA-N 2 0 270.377 -0.689 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001436963569 910518840 /nfs/dbraw/zinc/51/88/40/910518840.db2.gz HOPPARYPBDLCDA-OUAUKWLOSA-N 2 0 270.377 -0.561 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001436960445 910518855 /nfs/dbraw/zinc/51/88/55/910518855.db2.gz OMTOOIOQHUZYHY-TUAOUCFPSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1)[NH+](C)C ZINC001436977045 910520157 /nfs/dbraw/zinc/52/01/57/910520157.db2.gz QYPHDKYKCCYZPF-XQQFMLRXSA-N 2 0 296.415 -0.158 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001436975559 910522223 /nfs/dbraw/zinc/52/22/23/910522223.db2.gz AEAAPNLZUFQDEH-BETUJISGSA-N 2 0 296.415 -0.156 20 0 CBADRP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001436968565 910522792 /nfs/dbraw/zinc/52/27/92/910522792.db2.gz RJILIYVNNIJSRP-PHIMTYICSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001436979305 910522857 /nfs/dbraw/zinc/52/28/57/910522857.db2.gz RUEMFBHTLJZHKO-BETUJISGSA-N 2 0 296.415 -0.155 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001437161275 910569070 /nfs/dbraw/zinc/56/90/70/910569070.db2.gz AWXUFUYBNNLZGU-NEPJUHHUSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H]1CCNC1=O ZINC001437245319 910597373 /nfs/dbraw/zinc/59/73/73/910597373.db2.gz ZUZBBPPUDYVSKH-GHMZBOCLSA-N 2 0 280.372 -0.935 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001437249066 910599119 /nfs/dbraw/zinc/59/91/19/910599119.db2.gz OKONACYAVGCBJQ-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001437309641 910609645 /nfs/dbraw/zinc/60/96/45/910609645.db2.gz CCZQGCGROLTVTK-VXGBXAGGSA-N 2 0 294.399 -0.606 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001437326141 910612553 /nfs/dbraw/zinc/61/25/53/910612553.db2.gz NEOCPTGTNFVDFS-OLZOCXBDSA-N 2 0 296.415 -0.536 20 0 CBADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@H](C)C(=O)N(C)C ZINC001437402055 910625300 /nfs/dbraw/zinc/62/53/00/910625300.db2.gz JYTCJMBGMMVSBJ-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H](C)C(N)=O ZINC001437386300 910626423 /nfs/dbraw/zinc/62/64/23/910626423.db2.gz YXJOCXVQHMQGMI-GHMZBOCLSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H](C)C(N)=O ZINC001437386302 910626969 /nfs/dbraw/zinc/62/69/69/910626969.db2.gz YXJOCXVQHMQGMI-MNOVXSKESA-N 2 0 284.404 -0.171 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001437404051 910629578 /nfs/dbraw/zinc/62/95/78/910629578.db2.gz QPBJFGBAJZKPTE-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1nnnn1C ZINC001437422566 910629683 /nfs/dbraw/zinc/62/96/83/910629683.db2.gz OBPGQISSZWGUIE-NSHDSACASA-N 2 0 295.391 -0.710 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nncn1C ZINC001437422084 910630043 /nfs/dbraw/zinc/63/00/43/910630043.db2.gz LMWSBAPKZNPUQD-RYUDHWBXSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCn1cncn1 ZINC001437420775 910630915 /nfs/dbraw/zinc/63/09/15/910630915.db2.gz DXPQKMWAXOKPMK-CHWSQXEVSA-N 2 0 294.403 -0.286 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001437421438 910631469 /nfs/dbraw/zinc/63/14/69/910631469.db2.gz IWQJHUWVQGEHRU-NEPJUHHUSA-N 2 0 294.403 -0.249 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001437404053 910631553 /nfs/dbraw/zinc/63/15/53/910631553.db2.gz QPBJFGBAJZKPTE-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[N@H+](CC(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1)C1CCC1 ZINC001437717754 910734140 /nfs/dbraw/zinc/73/41/40/910734140.db2.gz SMPFXOICLAKRRL-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H](C)C(=O)NC ZINC001437768055 910740610 /nfs/dbraw/zinc/74/06/10/910740610.db2.gz MWVPGXHEGIBGAP-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001437840450 910767800 /nfs/dbraw/zinc/76/78/00/910767800.db2.gz GACQEIOCKMFCEX-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCN(CC)C1=O)[NH+](C)C ZINC001437858287 910770875 /nfs/dbraw/zinc/77/08/75/910770875.db2.gz OBHZLWUQKXSLCL-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001437852312 910774033 /nfs/dbraw/zinc/77/40/33/910774033.db2.gz NJWRFHBYTZMLTA-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP COC[C@H](O)C[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001438140857 910830384 /nfs/dbraw/zinc/83/03/84/910830384.db2.gz ABUZWIAJEPGCBG-GXTWGEPZSA-N 2 0 299.415 -0.617 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001438486918 910904233 /nfs/dbraw/zinc/90/42/33/910904233.db2.gz FVTQQYLZBVNIHI-GRYCIOLGSA-N 2 0 284.404 -0.456 20 0 CBADRP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]CC(N)=O ZINC001438503421 910908188 /nfs/dbraw/zinc/90/81/88/910908188.db2.gz KPYVFIMFXLKQEN-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+](C)C)C[NH2+][C@H]1CCCNC1=O ZINC001438513725 910909419 /nfs/dbraw/zinc/90/94/19/910909419.db2.gz HLQKRUFTBJTHOE-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001438519991 910913255 /nfs/dbraw/zinc/91/32/55/910913255.db2.gz LLQBKPXFQOSERK-GHMZBOCLSA-N 2 0 284.404 -0.456 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1nnnn1C ZINC001438549548 910915332 /nfs/dbraw/zinc/91/53/32/910915332.db2.gz RMWXANZQEXKPQI-MNOVXSKESA-N 2 0 295.391 -0.996 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001438640840 910943067 /nfs/dbraw/zinc/94/30/67/910943067.db2.gz WBLDEXKXHKLEQM-QWRGUYRKSA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001438686358 910950864 /nfs/dbraw/zinc/95/08/64/910950864.db2.gz UGTUDTPIJIGKJI-GFCCVEGCSA-N 2 0 298.431 -0.147 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001438673576 910952440 /nfs/dbraw/zinc/95/24/40/910952440.db2.gz NBAUQRPXRNDJEI-NSHDSACASA-N 2 0 284.404 -0.489 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001438964494 911021448 /nfs/dbraw/zinc/02/14/48/911021448.db2.gz PDBWCNOVFCDGEL-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP COC[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001438994050 911045332 /nfs/dbraw/zinc/04/53/32/911045332.db2.gz ANBCFJTZOFWPSI-OLZOCXBDSA-N 2 0 299.415 -0.284 20 0 CBADRP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)c1)[NH+](C)C ZINC001438997847 911045817 /nfs/dbraw/zinc/04/58/17/911045817.db2.gz IHQAFUDXVAJLOU-CHWSQXEVSA-N 2 0 297.403 -0.673 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)c1)[NH+](C)C ZINC001438997851 911048794 /nfs/dbraw/zinc/04/87/94/911048794.db2.gz IHQAFUDXVAJLOU-QWHCGFSZSA-N 2 0 297.403 -0.673 20 0 CBADRP Cc1ncoc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439048011 911073454 /nfs/dbraw/zinc/07/34/54/911073454.db2.gz TVMQOBHCXUXNHR-RYUDHWBXSA-N 2 0 296.371 -0.499 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]Cc1ccccn1 ZINC001439064202 911081458 /nfs/dbraw/zinc/08/14/58/911081458.db2.gz WFOSROCJINUPBK-CQSZACIVSA-N 2 0 292.383 -0.256 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(=O)N(C)C)C(=O)C[NH+]1CCCC1 ZINC001439085940 911096975 /nfs/dbraw/zinc/09/69/75/911096975.db2.gz SEAMMQOIIIGJJP-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439141779 911114117 /nfs/dbraw/zinc/11/41/17/911114117.db2.gz DBRYZVFWGRIWTN-GHMZBOCLSA-N 2 0 284.404 -0.443 20 0 CBADRP CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001439138720 911115670 /nfs/dbraw/zinc/11/56/70/911115670.db2.gz LQKSRSNSCWDKBS-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(N)=O)C1 ZINC001439149574 911118769 /nfs/dbraw/zinc/11/87/69/911118769.db2.gz NPQXEPLDZKHUBB-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H](C[NH2+]CC(=O)Nc1ccon1)NC(=O)CC[NH+](C)C ZINC001439149294 911119116 /nfs/dbraw/zinc/11/91/16/911119116.db2.gz NYVOHZCHTVYRNX-SNVBAGLBSA-N 2 0 297.359 -0.341 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)CC)[NH+](C)C ZINC001439155857 911119322 /nfs/dbraw/zinc/11/93/22/911119322.db2.gz YKWKUKFTOQNDMV-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@H](C[NH2+]C[C@H]1CCc2ncnn21)NC(=O)CC[NH+](C)C ZINC001439149793 911120651 /nfs/dbraw/zinc/12/06/51/911120651.db2.gz RQKPCKHDQFCLLA-VXGBXAGGSA-N 2 0 294.403 -0.189 20 0 CBADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1)C(N)=O ZINC001506896953 921635311 /nfs/dbraw/zinc/63/53/11/921635311.db2.gz DZOAOAGCHOGZEC-YVECIDJPSA-N 2 0 296.415 -0.314 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001439164875 911125657 /nfs/dbraw/zinc/12/56/57/911125657.db2.gz ZFMYPSDGNLPMOD-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001439195892 911135989 /nfs/dbraw/zinc/13/59/89/911135989.db2.gz LWOPLDRVHWUIAU-AAEUAGOBSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439236169 911147205 /nfs/dbraw/zinc/14/72/05/911147205.db2.gz DOBXPPRPXANORK-RYUDHWBXSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001439246427 911152859 /nfs/dbraw/zinc/15/28/59/911152859.db2.gz SIPYDNAOWNCVGG-CMPLNLGQSA-N 2 0 282.388 -0.689 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CNCc1ncnn1C ZINC001439272735 911159780 /nfs/dbraw/zinc/15/97/80/911159780.db2.gz DCWKYGYTMGOTIW-NSHDSACASA-N 2 0 282.392 -0.249 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001506906578 921638985 /nfs/dbraw/zinc/63/89/85/921638985.db2.gz KVSIGGJBEHOAAX-AVGNSLFASA-N 2 0 298.431 -0.055 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001439460987 911215043 /nfs/dbraw/zinc/21/50/43/911215043.db2.gz ZBHOYYSNTVANRS-OLZOCXBDSA-N 2 0 296.415 -0.170 20 0 CBADRP CN1CC[C@@H]([NH2+]C[C@H](NC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001439471978 911218222 /nfs/dbraw/zinc/21/82/22/911218222.db2.gz NZFYEZXWIFALHJ-OLZOCXBDSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+]CCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001506944401 921644926 /nfs/dbraw/zinc/64/49/26/921644926.db2.gz ACQMZAFGJWQAEO-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](CCC[NH2+][C@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001506935841 921646271 /nfs/dbraw/zinc/64/62/71/921646271.db2.gz FBSGRABASTWIPB-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001439613630 911258925 /nfs/dbraw/zinc/25/89/25/911258925.db2.gz SKXDHXBDSVMXSL-NSHDSACASA-N 2 0 282.388 -0.416 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001439781522 911289063 /nfs/dbraw/zinc/28/90/63/911289063.db2.gz FYJNDKVDFWARAX-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CCn2cncn2)C1 ZINC001439850048 911302718 /nfs/dbraw/zinc/30/27/18/911302718.db2.gz LCYCHDRIFANUHH-AWEZNQCLSA-N 2 0 294.403 -0.190 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001439905714 911313306 /nfs/dbraw/zinc/31/33/06/911313306.db2.gz CCEMRAWWJSTITB-CQSZACIVSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@]2(O)CC[NH+](CCCO)C2)C1 ZINC001440008906 911343813 /nfs/dbraw/zinc/34/38/13/911343813.db2.gz CFCAURXFSXQVFW-DZGCQCFKSA-N 2 0 299.415 -0.736 20 0 CBADRP CN(C(=O)C[NH+]1CCCC1)[C@@H](C[NH2+]CCO)C1CC1 ZINC001507038094 921654755 /nfs/dbraw/zinc/65/47/55/921654755.db2.gz ZQSAWYYPOZOPQB-ZDUSSCGKSA-N 2 0 269.389 -0.099 20 0 CBADRP COC[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001440153117 911391797 /nfs/dbraw/zinc/39/17/97/911391797.db2.gz YFYGSXGXTDLRPJ-HZSPNIEDSA-N 2 0 299.415 -0.664 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001440379739 911440206 /nfs/dbraw/zinc/44/02/06/911440206.db2.gz UBMCPFZKJSEVPQ-SRVKXCTJSA-N 2 0 284.404 -0.314 20 0 CBADRP CO[C@H](C)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001440374759 911442060 /nfs/dbraw/zinc/44/20/60/911442060.db2.gz JAKSXUVJSXTBKH-OLZOCXBDSA-N 2 0 287.404 -0.210 20 0 CBADRP CC1([NH2+]CC(N)=O)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001440602544 911479138 /nfs/dbraw/zinc/47/91/38/911479138.db2.gz AZDMMBSNJQYJMB-UHFFFAOYSA-N 2 0 294.399 -0.462 20 0 CBADRP C[NH+](C)CC1(C(=O)NC2(CO)CC[NH+](CCO)CC2)CC1 ZINC001440696035 911494329 /nfs/dbraw/zinc/49/43/29/911494329.db2.gz KTDKQZRQYCHFIX-UHFFFAOYSA-N 2 0 299.415 -0.736 20 0 CBADRP C[NH+](C)CCC(=O)NC1CC(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001440755182 911504412 /nfs/dbraw/zinc/50/44/12/911504412.db2.gz ACVOUCAFISJEPK-WXRRBKDZSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)C1(C(=O)NC2CC(C[NH2+]CC(N)=O)C2)CCC1 ZINC001440757279 911504981 /nfs/dbraw/zinc/50/49/81/911504981.db2.gz GOYJNYCGZIFNLS-UHFFFAOYSA-N 2 0 282.388 -0.560 20 0 CBADRP CC[C@H]([NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001440760821 911505139 /nfs/dbraw/zinc/50/51/39/911505139.db2.gz LUMVHGZQBMVQRH-BPCQOVAHSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H](C)[NH2+]CCO ZINC001440825076 911522507 /nfs/dbraw/zinc/52/25/07/911522507.db2.gz BQQYGMKPZUIZCE-VXGBXAGGSA-N 2 0 287.404 -0.428 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001440841180 911529134 /nfs/dbraw/zinc/52/91/34/911529134.db2.gz NDAPACCLENNHCW-WDEREUQCSA-N 2 0 282.388 -0.689 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@@H]1CCN(C)C1=O ZINC001441003876 911582949 /nfs/dbraw/zinc/58/29/49/911582949.db2.gz SMZZXTDSIXUFJL-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001441364635 911651341 /nfs/dbraw/zinc/65/13/41/911651341.db2.gz ACVOUCAFISJEPK-JHJVBQTASA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001441370168 911652633 /nfs/dbraw/zinc/65/26/33/911652633.db2.gz PNJILWBGOTZKAH-IJLUTSLNSA-N 2 0 284.404 -0.314 20 0 CBADRP Cn1ncc(C[NH2+]C[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001441364782 911653599 /nfs/dbraw/zinc/65/35/99/911653599.db2.gz BVMPMTHBOHPLGD-HAQNSBGRSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H]1CCNC1=O ZINC001507116426 921680705 /nfs/dbraw/zinc/68/07/05/921680705.db2.gz FULVCIIFIOMGAW-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001441353229 911654475 /nfs/dbraw/zinc/65/44/75/911654475.db2.gz NTFGSQRZNQIAKD-SRVKXCTJSA-N 2 0 282.388 -0.560 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C1 ZINC001441439944 911669181 /nfs/dbraw/zinc/66/91/81/911669181.db2.gz NHASUJAEDRYOHH-AVGNSLFASA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001441502560 911690698 /nfs/dbraw/zinc/69/06/98/911690698.db2.gz GFEMUJGWJRORBF-SDDRHHMPSA-N 2 0 284.404 -0.348 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001441532050 911697907 /nfs/dbraw/zinc/69/79/07/911697907.db2.gz JBZBIYCYCDRGPP-RWMBFGLXSA-N 2 0 285.388 -0.816 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507126872 921684596 /nfs/dbraw/zinc/68/45/96/921684596.db2.gz OKKYEUATCINMCM-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001441613231 911715677 /nfs/dbraw/zinc/71/56/77/911715677.db2.gz CUQSWRKDESYHEF-LBPRGKRZSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001441654855 911726000 /nfs/dbraw/zinc/72/60/00/911726000.db2.gz HZSQQSCZHGAWOA-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001507117093 921681574 /nfs/dbraw/zinc/68/15/74/921681574.db2.gz GLKWDLLJCJJCNT-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001507161553 921690903 /nfs/dbraw/zinc/69/09/03/921690903.db2.gz LZPDXGCJJPMDQF-RYUDHWBXSA-N 2 0 286.420 -0.102 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001441771453 911796218 /nfs/dbraw/zinc/79/62/18/911796218.db2.gz WYYVUGVXCLJASJ-CHWSQXEVSA-N 2 0 287.404 -0.692 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001441836786 911830241 /nfs/dbraw/zinc/83/02/41/911830241.db2.gz CYOPHNMTDVVPEU-SNVBAGLBSA-N 2 0 270.377 -0.689 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001441928110 911855120 /nfs/dbraw/zinc/85/51/20/911855120.db2.gz AHHDXRGGKULYPH-JTQLQIEISA-N 2 0 270.377 -0.832 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@H](C)C(=O)N(C)C ZINC001441938727 911857152 /nfs/dbraw/zinc/85/71/52/911857152.db2.gz JGTDZSDSDXUYQZ-VXGBXAGGSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@H](C)C(N)=O ZINC001441937132 911857658 /nfs/dbraw/zinc/85/76/58/911857658.db2.gz KMISLZINEBGNRK-NXEZZACHSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CCS(C)(=O)=O ZINC001441940151 911859364 /nfs/dbraw/zinc/85/93/64/911859364.db2.gz NZLWZOOTWVBAOL-SNVBAGLBSA-N 2 0 279.406 -0.923 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001442002023 911891532 /nfs/dbraw/zinc/89/15/32/911891532.db2.gz WPHVUQIEXBWVPQ-LBPRGKRZSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CCO)[NH+](C)C ZINC001442089832 911926887 /nfs/dbraw/zinc/92/68/87/911926887.db2.gz GQBVSDABCXBHKC-OLZOCXBDSA-N 2 0 289.420 -0.684 20 0 CBADRP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC001442139447 911938057 /nfs/dbraw/zinc/93/80/57/911938057.db2.gz OZTMCROGYDJKBH-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001442135100 911938892 /nfs/dbraw/zinc/93/88/92/911938892.db2.gz CSUACMSQCSIALT-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C)C1 ZINC001442174299 911947183 /nfs/dbraw/zinc/94/71/83/911947183.db2.gz KSGRFTYIPJNBDU-QWRGUYRKSA-N 2 0 284.404 -0.456 20 0 CBADRP C[C@H](O)C[N@H+](C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001442416633 912010134 /nfs/dbraw/zinc/01/01/34/912010134.db2.gz TVPXMPPORUCNKF-LBPRGKRZSA-N 2 0 297.403 -0.513 20 0 CBADRP CN(CCNC(=O)C[NH+]1CCCC1)[C@@H]1CCCNC1=O ZINC001442616130 912060090 /nfs/dbraw/zinc/06/00/90/912060090.db2.gz ZJBMDEGZIRGMGM-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001442899870 912122371 /nfs/dbraw/zinc/12/23/71/912122371.db2.gz BEDUFGUKMFPUSM-CYBMUJFWSA-N 2 0 296.415 -0.344 20 0 CBADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001442899396 912124550 /nfs/dbraw/zinc/12/45/50/912124550.db2.gz DSERTXWKAMRPLJ-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001442901239 912125804 /nfs/dbraw/zinc/12/58/04/912125804.db2.gz CVVQMEVSWAUYHF-OLZOCXBDSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001443100312 912157851 /nfs/dbraw/zinc/15/78/51/912157851.db2.gz UDVUFXOKIDAZCP-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001443094721 912158233 /nfs/dbraw/zinc/15/82/33/912158233.db2.gz PVBTZLNOTLRGQZ-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001443108144 912160432 /nfs/dbraw/zinc/16/04/32/912160432.db2.gz XUPSICZHRAIDQT-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001443108146 912161959 /nfs/dbraw/zinc/16/19/59/912161959.db2.gz XUPSICZHRAIDQT-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001443116939 912162853 /nfs/dbraw/zinc/16/28/53/912162853.db2.gz KMPIGCXAPGDOOI-DGCLKSJQSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH+](C)CC(N)=O)CC1 ZINC001443367498 912192252 /nfs/dbraw/zinc/19/22/52/912192252.db2.gz CHFVOCABVXYWGK-UHFFFAOYSA-N 2 0 298.431 -0.018 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCF ZINC001507200138 921736629 /nfs/dbraw/zinc/73/66/29/921736629.db2.gz DQYBLYAUXDSPMN-GHMZBOCLSA-N 2 0 261.341 -0.493 20 0 CBADRP COCC[NH2+][C@@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001507245017 921779901 /nfs/dbraw/zinc/77/99/01/921779901.db2.gz ZKUUGGMQIQWERA-CYBMUJFWSA-N 2 0 287.404 -0.569 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]C[C@H]1CCCCO1 ZINC001507259194 921787116 /nfs/dbraw/zinc/78/71/16/921787116.db2.gz CSQIKFHBYFIFEP-UONOGXRCSA-N 2 0 299.415 -0.282 20 0 CBADRP CO[C@H](C)C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001507261755 921792024 /nfs/dbraw/zinc/79/20/24/921792024.db2.gz UTWIRKLJQWVGHL-NEPJUHHUSA-N 2 0 273.377 -0.816 20 0 CBADRP CC[C@@H](C(=O)N1CC([NH2+][C@H]2CCOC2)C1)[NH+](C)C ZINC001472079932 915686156 /nfs/dbraw/zinc/68/61/56/915686156.db2.gz FLZRWXJIRLGINW-JQWIXIFHSA-N 2 0 255.362 -0.084 20 0 CBADRP C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC001472626943 915758466 /nfs/dbraw/zinc/75/84/66/915758466.db2.gz OGZJDKKTZCLYJJ-KBPBESRZSA-N 2 0 280.416 -0.023 20 0 CBADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)C3(O)CCOCC3)C[C@@H]2C1 ZINC001473703452 915852091 /nfs/dbraw/zinc/85/20/91/915852091.db2.gz NFJSZXZOTXDOPK-RDBSUJKOSA-N 2 0 284.400 -0.228 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCOCCO)C1 ZINC001479357224 916121405 /nfs/dbraw/zinc/12/14/05/916121405.db2.gz FEVLEVUIXJCMDB-IHRRRGAJSA-N 2 0 299.415 -0.426 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001479358004 916123523 /nfs/dbraw/zinc/12/35/23/916123523.db2.gz SFBIFYOTBUJSOE-LPWJVIDDSA-N 2 0 296.415 -0.301 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@@H]([NH2+]CCO)C1 ZINC001479494446 916134086 /nfs/dbraw/zinc/13/40/86/916134086.db2.gz IBPDEPMOXPZOOS-QWHCGFSZSA-N 2 0 269.389 -0.051 20 0 CBADRP CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)CC[NH+](C)C)n1 ZINC001479607041 916142531 /nfs/dbraw/zinc/14/25/31/916142531.db2.gz KDRIAILLWJWFSN-UHFFFAOYSA-N 2 0 281.360 -0.140 20 0 CBADRP C[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC(N)=O ZINC001479770702 916170662 /nfs/dbraw/zinc/17/06/62/916170662.db2.gz IGFLRQXKUCURIW-GFCCVEGCSA-N 2 0 282.388 -0.748 20 0 CBADRP C[N@H+](CCO)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001479779632 916175337 /nfs/dbraw/zinc/17/53/37/916175337.db2.gz QESTXMAEHMOFPW-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP CCN1CC[C@@H]([N@H+](C)CCCNC(=O)CC[NH+](C)C)C1=O ZINC001479793656 916180839 /nfs/dbraw/zinc/18/08/39/916180839.db2.gz MBYZBAPWEVJNIJ-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCCO)C1)[NH+](C)C ZINC001479968965 916242608 /nfs/dbraw/zinc/24/26/08/916242608.db2.gz LPQAEJQNBRULAC-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCCO)C1CC1 ZINC001480038539 916268820 /nfs/dbraw/zinc/26/88/20/916268820.db2.gz KHQWUBTUXNDZIQ-QWHCGFSZSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]([NH2+]CCO)C2CC2)C1 ZINC001480047349 916273064 /nfs/dbraw/zinc/27/30/64/916273064.db2.gz RBRNOOBIQTZBFL-AAEUAGOBSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001480155854 916312240 /nfs/dbraw/zinc/31/22/40/916312240.db2.gz GCDJHZXJFQZFGC-DRZSPHRISA-N 2 0 296.415 -0.158 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001480219580 916332518 /nfs/dbraw/zinc/33/25/18/916332518.db2.gz BUJBWEQBMYRKGN-BETUJISGSA-N 2 0 296.415 -0.347 20 0 CBADRP COCC[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001480233378 916336982 /nfs/dbraw/zinc/33/69/82/916336982.db2.gz YVNTXQIEILLOLN-TXEJJXNPSA-N 2 0 267.373 -0.035 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480304147 916354334 /nfs/dbraw/zinc/35/43/34/916354334.db2.gz JHNVEERPBWAHRY-ZDUSSCGKSA-N 2 0 296.415 -0.344 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001480300859 916354587 /nfs/dbraw/zinc/35/45/87/916354587.db2.gz QYIDRCBEPXDAFT-GFCCVEGCSA-N 2 0 284.404 -0.358 20 0 CBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(=O)N1CCC1 ZINC001480475994 916430476 /nfs/dbraw/zinc/43/04/76/916430476.db2.gz VRGTXKRMKWBERX-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001480530439 916459337 /nfs/dbraw/zinc/45/93/37/916459337.db2.gz GVTNOALBTJORLX-MNOVXSKESA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)[NH2+]CCO ZINC001480552047 916469164 /nfs/dbraw/zinc/46/91/64/916469164.db2.gz CMGOHLRGSBMXSJ-LLVKDONJSA-N 2 0 283.376 -0.855 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001480566093 916476848 /nfs/dbraw/zinc/47/68/48/916476848.db2.gz QZCHGIZMSXPLHI-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP COCC[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001480574469 916478820 /nfs/dbraw/zinc/47/88/20/916478820.db2.gz MXIYHLRTYXFRSR-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CCN1CCNC1=O ZINC001480597550 916487114 /nfs/dbraw/zinc/48/71/14/916487114.db2.gz RFTRFMJXVHDRIB-GFCCVEGCSA-N 2 0 299.419 -0.554 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001480598208 916488684 /nfs/dbraw/zinc/48/86/84/916488684.db2.gz ZDCMTDDCFJQVMO-GFCCVEGCSA-N 2 0 286.420 -0.055 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001480623691 916499546 /nfs/dbraw/zinc/49/95/46/916499546.db2.gz KCZMQAGDNXQERQ-JTQLQIEISA-N 2 0 256.350 -0.996 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001480790849 916539698 /nfs/dbraw/zinc/53/96/98/916539698.db2.gz RTGASCTYCBETHK-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)C(N)=O ZINC001480791434 916540487 /nfs/dbraw/zinc/54/04/87/916540487.db2.gz XTXWFCPBWZULCM-UWVGGRQHSA-N 2 0 258.366 -0.704 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001480808682 916544240 /nfs/dbraw/zinc/54/42/40/916544240.db2.gz OIUROYXRZQDFRH-RYUDHWBXSA-N 2 0 294.403 -0.249 20 0 CBADRP CC[C@H](C(=O)NCC[N@H+](CC)[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001480982848 916667490 /nfs/dbraw/zinc/66/74/90/916667490.db2.gz IUWOASUJRCETOD-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)[C@@H]1CCNC1=O ZINC001481000325 916678583 /nfs/dbraw/zinc/67/85/83/916678583.db2.gz VMDPWCPXYMIQPN-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC001481056605 916700170 /nfs/dbraw/zinc/70/01/70/916700170.db2.gz RSFMXHZTZIZXOD-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCO ZINC001481229719 916775686 /nfs/dbraw/zinc/77/56/86/916775686.db2.gz XSCMQAYVIFFCKC-LBPRGKRZSA-N 2 0 257.378 -0.101 20 0 CBADRP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)C[N@H+](C)C1CCC1 ZINC001481240728 916784605 /nfs/dbraw/zinc/78/46/05/916784605.db2.gz VWAPMVGYZWMUIJ-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001481272438 916798380 /nfs/dbraw/zinc/79/83/80/916798380.db2.gz GHTTUXRLBMTSAJ-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001481314265 916817917 /nfs/dbraw/zinc/81/79/17/916817917.db2.gz CNUONFCVVLIMJK-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001481344489 916819505 /nfs/dbraw/zinc/81/95/05/916819505.db2.gz YFCUNHUCBLWDIL-WCQYABFASA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001481344487 916820714 /nfs/dbraw/zinc/82/07/14/916820714.db2.gz YFCUNHUCBLWDIL-AAEUAGOBSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001481344490 916821895 /nfs/dbraw/zinc/82/18/95/916821895.db2.gz YFCUNHUCBLWDIL-YPMHNXCESA-N 2 0 296.415 -0.360 20 0 CBADRP COCCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001481700012 916961345 /nfs/dbraw/zinc/96/13/45/916961345.db2.gz ZQLIKDIRYMZESS-KGLIPLIRSA-N 2 0 299.415 -0.066 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001481798573 916989626 /nfs/dbraw/zinc/98/96/26/916989626.db2.gz OXTLKWUHKGHCLR-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)NC ZINC001481848752 917000971 /nfs/dbraw/zinc/00/09/71/917000971.db2.gz FBNQLMVYFPCBSM-JTQLQIEISA-N 2 0 258.366 -0.832 20 0 CBADRP CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CCO ZINC001481845576 917001445 /nfs/dbraw/zinc/00/14/45/917001445.db2.gz INQCKMIVILFUHD-LLVKDONJSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCn1cncn1 ZINC001481875688 917011594 /nfs/dbraw/zinc/01/15/94/917011594.db2.gz PBZYHYAAELGYIL-QWHCGFSZSA-N 2 0 294.403 -0.286 20 0 CBADRP C[C@@H]([NH2+]C[C@@](C)(NC(=O)C[NH+]1CCCC1)C1CC1)C(N)=O ZINC001481950067 917028890 /nfs/dbraw/zinc/02/88/90/917028890.db2.gz FUUSPXJOWUMTRV-IAQYHMDHSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)N(C)C ZINC001482159707 917072757 /nfs/dbraw/zinc/07/27/57/917072757.db2.gz RCBSYDVDZRSZOW-OLZOCXBDSA-N 2 0 298.431 -0.242 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001482326032 917126025 /nfs/dbraw/zinc/12/60/25/917126025.db2.gz OTYNTCQTCGHHPJ-GFCCVEGCSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482329339 917129331 /nfs/dbraw/zinc/12/93/31/917129331.db2.gz AKHAJUKBKRHXDJ-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482353711 917134020 /nfs/dbraw/zinc/13/40/20/917134020.db2.gz KMLSGXIVHYFVGV-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1C[NH2+]CC(N)=O ZINC001482498516 917151527 /nfs/dbraw/zinc/15/15/27/917151527.db2.gz AQXLDIHXYCAIOW-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@@H](C)C(N)=O ZINC001482551937 917158210 /nfs/dbraw/zinc/15/82/10/917158210.db2.gz ZOQHLXWNDJFGIS-AAEUAGOBSA-N 2 0 298.431 -0.068 20 0 CBADRP O=C(NC[C@@H](O)C[NH2+]CC1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001482728562 917235936 /nfs/dbraw/zinc/23/59/36/917235936.db2.gz HJQGXRKQDPBMFU-KBPBESRZSA-N 2 0 281.400 -0.195 20 0 CBADRP CC(C)[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482730356 917239721 /nfs/dbraw/zinc/23/97/21/917239721.db2.gz XMFWNYFMNWFLQO-QWHCGFSZSA-N 2 0 269.389 -0.197 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC1CC1 ZINC001482758360 917254366 /nfs/dbraw/zinc/25/43/66/917254366.db2.gz ZEXKVTGDBJNTSC-NWDGAFQWSA-N 2 0 255.362 -0.443 20 0 CBADRP CC[C@H](C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)OC ZINC001482786265 917283054 /nfs/dbraw/zinc/28/30/54/917283054.db2.gz SSGUXMRVJYYAOY-CHWSQXEVSA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@H](CC[NH2+]CCO)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482887699 917326284 /nfs/dbraw/zinc/32/62/84/917326284.db2.gz DYOXAVLLZMXPQG-VXGBXAGGSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@H](CC[NH2+]CCCO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482816678 917303637 /nfs/dbraw/zinc/30/36/37/917303637.db2.gz IRMORNQKXCLDFN-NEPJUHHUSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@H](CC[NH2+][C@@H]1CCCNC1=O)NC(=O)CC[NH+](C)C ZINC001482866658 917316202 /nfs/dbraw/zinc/31/62/02/917316202.db2.gz BRNIJZSGCMKIHZ-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]CC(N)=O)[NH+](C)C ZINC001482874847 917320960 /nfs/dbraw/zinc/32/09/60/917320960.db2.gz MZOCMHOQAVEGOS-ZJUUUORDSA-N 2 0 258.366 -0.704 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC(N)=O)[NH+](C)C ZINC001482874846 917322089 /nfs/dbraw/zinc/32/20/89/917322089.db2.gz MZOCMHOQAVEGOS-UWVGGRQHSA-N 2 0 258.366 -0.704 20 0 CBADRP CCN(CC[NH2+]CC(N)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001482945918 917345264 /nfs/dbraw/zinc/34/52/64/917345264.db2.gz BPBQODFLESBMMB-UHFFFAOYSA-N 2 0 270.377 -0.748 20 0 CBADRP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001483009124 917375392 /nfs/dbraw/zinc/37/53/92/917375392.db2.gz RGUSMPYCAPEIMX-MRPUBWEVSA-N 2 0 282.388 -0.538 20 0 CBADRP C[C@@H]([NH2+]C/C=C/CNC(=O)CC[NH+](C)C)C(N)=O ZINC001483054196 917393780 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CC[C@H]([NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001483137225 917429989 /nfs/dbraw/zinc/42/99/89/917429989.db2.gz NIJXKWLKXJYYIJ-PWSUYJOCSA-N 2 0 284.404 -0.171 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483166130 917448189 /nfs/dbraw/zinc/44/81/89/917448189.db2.gz AGCXQFORHQNIIU-YNEHKIRRSA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483192981 917456180 /nfs/dbraw/zinc/45/61/80/917456180.db2.gz MYGPNTARRQFAIK-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001483197364 917460983 /nfs/dbraw/zinc/46/09/83/917460983.db2.gz HEOCXVIPSOAVRT-VXGBXAGGSA-N 2 0 284.404 -0.348 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001483197699 917462124 /nfs/dbraw/zinc/46/21/24/917462124.db2.gz PAIKYRZBJZYISA-NEPJUHHUSA-N 2 0 286.420 -0.102 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NC ZINC001483232489 917485243 /nfs/dbraw/zinc/48/52/43/917485243.db2.gz DTHDQNMGRBZSII-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483255904 917496616 /nfs/dbraw/zinc/49/66/16/917496616.db2.gz PPARWTBHMJUGTJ-SDDRHHMPSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483255220 917497217 /nfs/dbraw/zinc/49/72/17/917497217.db2.gz FSJHHMKTUMLQIM-QJPTWQEYSA-N 2 0 282.388 -0.547 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001483286129 917504683 /nfs/dbraw/zinc/50/46/83/917504683.db2.gz LNUJBZYBABTOCR-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001483279824 917507201 /nfs/dbraw/zinc/50/72/01/917507201.db2.gz PMHRPDCCAKSMIJ-RYUDHWBXSA-N 2 0 287.404 -0.428 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483285006 917507232 /nfs/dbraw/zinc/50/72/32/917507232.db2.gz XUEXBLWQYSTPLZ-QWRGUYRKSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483293607 917510969 /nfs/dbraw/zinc/51/09/69/917510969.db2.gz HVXPBSLKSVYJOT-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@@H]1CCN(C)C1=O ZINC001483405588 917560405 /nfs/dbraw/zinc/56/04/05/917560405.db2.gz ZAWPPPQTAAEKQN-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](C[N@H+](C)CCO)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001483421004 917560482 /nfs/dbraw/zinc/56/04/82/917560482.db2.gz ORXIWZWMZLVNLB-QWHCGFSZSA-N 2 0 287.404 -0.617 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)CCC[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001483470302 917574864 /nfs/dbraw/zinc/57/48/64/917574864.db2.gz BVSNRQWUUMFFGM-RYUDHWBXSA-N 2 0 286.420 -0.116 20 0 CBADRP C[C@@H]([NH2+]CCCN(C)C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001483488880 917577433 /nfs/dbraw/zinc/57/74/33/917577433.db2.gz ZPQBDLKPHGOAIL-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001483721795 917655400 /nfs/dbraw/zinc/65/54/00/917655400.db2.gz JJDVVDYTODNXFS-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP Cn1nncc1C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001483721939 917656136 /nfs/dbraw/zinc/65/61/36/917656136.db2.gz NRKSQSXIEXFOCM-LBPRGKRZSA-N 2 0 292.387 -0.352 20 0 CBADRP CN1CC[C@@H]([NH2+]C2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001483721850 917657596 /nfs/dbraw/zinc/65/75/96/917657596.db2.gz LHDCBQKHPPKZHM-NEPJUHHUSA-N 2 0 294.399 -0.450 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001483941994 917712468 /nfs/dbraw/zinc/71/24/68/917712468.db2.gz BZTCMMMISFBJFJ-JTQLQIEISA-N 2 0 256.350 -0.996 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](CCOCCO)C2)C1 ZINC001484072493 917730386 /nfs/dbraw/zinc/73/03/86/917730386.db2.gz VOQVBYJUVAIYIQ-UKRRQHHQSA-N 2 0 299.415 -0.472 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001484166809 917745012 /nfs/dbraw/zinc/74/50/12/917745012.db2.gz LVZUIVNMJHZELD-HNNXBMFYSA-N 2 0 298.431 -0.098 20 0 CBADRP COCCC[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001484238796 917788552 /nfs/dbraw/zinc/78/85/52/917788552.db2.gz MBWAFTJYPSAQDO-AWEZNQCLSA-N 2 0 287.404 -0.472 20 0 CBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CCO ZINC001484380514 917836149 /nfs/dbraw/zinc/83/61/49/917836149.db2.gz JCABGUHXURDZID-QWHCGFSZSA-N 2 0 281.400 -0.241 20 0 CBADRP C[N@H+](CC(=O)N[C@@]1(CO)CCC[NH+](CCO)C1)C1CCC1 ZINC001484437427 917850046 /nfs/dbraw/zinc/85/00/46/917850046.db2.gz HANWLDUDMXPMGN-HNNXBMFYSA-N 2 0 299.415 -0.594 20 0 CBADRP CO[C@H](C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001484478149 917864682 /nfs/dbraw/zinc/86/46/82/917864682.db2.gz HYKUYXHMHLKVSC-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001484478478 917865502 /nfs/dbraw/zinc/86/55/02/917865502.db2.gz QOZBEACTTKSVNS-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1[NH2+]CC(N)=O ZINC001484897799 917962888 /nfs/dbraw/zinc/96/28/88/917962888.db2.gz RHULZGWTHBVPLR-QWRGUYRKSA-N 2 0 270.377 -0.750 20 0 CBADRP COCC[NH2+]CC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001484959109 917970981 /nfs/dbraw/zinc/97/09/81/917970981.db2.gz HJHQMZUXTVOVNS-UHFFFAOYSA-N 2 0 287.404 -0.472 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC(O)(C[NH2+]CCCO)CC1 ZINC001484964446 917973331 /nfs/dbraw/zinc/97/33/31/917973331.db2.gz MCDHERFMDIOVND-UHFFFAOYSA-N 2 0 299.415 -0.592 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001485001440 917982269 /nfs/dbraw/zinc/98/22/69/917982269.db2.gz MAIDUCUBLZPRBJ-NWDGAFQWSA-N 2 0 269.389 -0.053 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001485159690 918015971 /nfs/dbraw/zinc/01/59/71/918015971.db2.gz ZBVJFBZNXWNRAN-GHMZBOCLSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CCO ZINC001485214559 918028196 /nfs/dbraw/zinc/02/81/96/918028196.db2.gz JMDOUPDFRZZBQG-WDEREUQCSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H](C)[NH2+]CC(N)=O ZINC001485218071 918033445 /nfs/dbraw/zinc/03/34/45/918033445.db2.gz XVNGURWTVDRQOO-NXEZZACHSA-N 2 0 268.361 -0.950 20 0 CBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)CCO ZINC001485312088 918074370 /nfs/dbraw/zinc/07/43/70/918074370.db2.gz GUYDRXAEUOILEE-NSHDSACASA-N 2 0 257.378 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@@H]1CCNC1=O ZINC001485371446 918101113 /nfs/dbraw/zinc/10/11/13/918101113.db2.gz WRETUROFYQNQTN-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CCCO)C1 ZINC001485537717 918140752 /nfs/dbraw/zinc/14/07/52/918140752.db2.gz SADHNQNPCPYBTL-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1 ZINC001485615014 918153561 /nfs/dbraw/zinc/15/35/61/918153561.db2.gz VDRYYDMEILMOPW-CNDDSTCGSA-N 2 0 294.399 -0.893 20 0 CBADRP CNC(=O)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001485754998 918183427 /nfs/dbraw/zinc/18/34/27/918183427.db2.gz WNQKFKDHZNBKGD-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+][C@H](C)C(N)=O ZINC001485881289 918216898 /nfs/dbraw/zinc/21/68/98/918216898.db2.gz FGZMIMIBSCKCLO-GHMZBOCLSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001485920037 918231631 /nfs/dbraw/zinc/23/16/31/918231631.db2.gz PZURDKXJIAEBCW-NEPJUHHUSA-N 2 0 286.420 -0.149 20 0 CBADRP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001485954935 918241186 /nfs/dbraw/zinc/24/11/86/918241186.db2.gz BIHIHTOILRBCPT-NEPJUHHUSA-N 2 0 284.404 -0.537 20 0 CBADRP CO[C@H](C)C[NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001486002360 918294052 /nfs/dbraw/zinc/29/40/52/918294052.db2.gz QHOKZSQBTMQAND-NEPJUHHUSA-N 2 0 287.404 -0.428 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)CN1C(=O)CC[NH+](C)C ZINC001486120638 918370908 /nfs/dbraw/zinc/37/09/08/918370908.db2.gz DHUYZDYHLQZLSN-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001486220091 918385983 /nfs/dbraw/zinc/38/59/83/918385983.db2.gz XNQVLNPJGSACRK-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP COCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001486286383 918410674 /nfs/dbraw/zinc/41/06/74/918410674.db2.gz VBTXHKYBAQREHC-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP COCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001486286381 918410864 /nfs/dbraw/zinc/41/08/64/918410864.db2.gz VBTXHKYBAQREHC-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CN(CCOCC[NH2+]CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001486494237 918476108 /nfs/dbraw/zinc/47/61/08/918476108.db2.gz CWKXDEKPJPYJOI-ZDUSSCGKSA-N 2 0 287.404 -0.472 20 0 CBADRP C[C@H](C(N)=O)N1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651640 918745737 /nfs/dbraw/zinc/74/57/37/918745737.db2.gz ARVATMCFFXAGQW-MNOVXSKESA-N 2 0 270.377 -0.655 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001488852598 918774933 /nfs/dbraw/zinc/77/49/33/918774933.db2.gz YPDXKPXLJDCXNF-IJLUTSLNSA-N 2 0 257.378 -0.197 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001488949380 918782616 /nfs/dbraw/zinc/78/26/16/918782616.db2.gz QUJFECYOKYMTMB-XQQFMLRXSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001490213030 918864537 /nfs/dbraw/zinc/86/45/37/918864537.db2.gz BFTNSJOFAAQBGC-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)N1CCC1 ZINC001490232788 918872287 /nfs/dbraw/zinc/87/22/87/918872287.db2.gz HHDGNFVTAAVIKA-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC ZINC001490341354 918896374 /nfs/dbraw/zinc/89/63/74/918896374.db2.gz NUEHGOQKZQQNRX-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001490606546 918944314 /nfs/dbraw/zinc/94/43/14/918944314.db2.gz UPVKUHWFNQAHBX-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001490922489 918988923 /nfs/dbraw/zinc/98/89/23/918988923.db2.gz OYUAMHLYKRUBQJ-HAQNSBGRSA-N 2 0 294.403 -0.106 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001490950052 918993508 /nfs/dbraw/zinc/99/35/08/918993508.db2.gz XDEYCDRXCLZXAE-AVGNSLFASA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001491072379 919026403 /nfs/dbraw/zinc/02/64/03/919026403.db2.gz SMJUPUHYCJBKFO-PHIMTYICSA-N 2 0 270.377 -0.560 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@H]1CCCN(CC(N)=O)C1)[NH+](C)C ZINC001491110562 919040061 /nfs/dbraw/zinc/04/00/61/919040061.db2.gz IDWYTHXZDLCCCI-OCCSQVGLSA-N 2 0 298.431 -0.114 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001491318616 919113479 /nfs/dbraw/zinc/11/34/79/919113479.db2.gz UEVBSODVGHWLTB-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCNC(=O)C1CC1 ZINC001491415865 919150444 /nfs/dbraw/zinc/15/04/44/919150444.db2.gz UWNZWCNDDJURHM-AAEUAGOBSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C)CC[N@@H+]1C ZINC001491460336 919170410 /nfs/dbraw/zinc/17/04/10/919170410.db2.gz BXAJFNNZKCTICG-FRRDWIJNSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCNC(=O)[C@H]1CCC[NH+]1C ZINC001491502453 919184655 /nfs/dbraw/zinc/18/46/55/919184655.db2.gz VUJCDVNWTPWYBJ-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001491502891 919184882 /nfs/dbraw/zinc/18/48/82/919184882.db2.gz CDJHTKOSOSIVEL-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H]([NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)C(N)=O ZINC001491568127 919206847 /nfs/dbraw/zinc/20/68/47/919206847.db2.gz JKEPELDXHIGRLS-VHSXEESVSA-N 2 0 258.366 -0.704 20 0 CBADRP CC[C@H]([NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)C(N)=O ZINC001491568118 919208660 /nfs/dbraw/zinc/20/86/60/919208660.db2.gz JKEPELDXHIGRLS-UWVGGRQHSA-N 2 0 258.366 -0.704 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C ZINC001491569826 919211170 /nfs/dbraw/zinc/21/11/70/919211170.db2.gz UIBJBOOUGVYOET-LLVKDONJSA-N 2 0 272.393 -0.443 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001491640768 919241555 /nfs/dbraw/zinc/24/15/55/919241555.db2.gz LVPQQPLUMGHIMM-LBPRGKRZSA-N 2 0 296.415 -0.299 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001491672254 919250104 /nfs/dbraw/zinc/25/01/04/919250104.db2.gz GBMWBZPRAPKVQT-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001491672797 919251419 /nfs/dbraw/zinc/25/14/19/919251419.db2.gz DDNMEHLFMOAAJI-NEPJUHHUSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cncn1C ZINC001491674240 919252500 /nfs/dbraw/zinc/25/25/00/919252500.db2.gz SXJCKFGGEMWUNS-NWDGAFQWSA-N 2 0 279.388 -0.034 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001491813987 919285154 /nfs/dbraw/zinc/28/51/54/919285154.db2.gz FSVWAWFDQVLBFL-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(N)=O ZINC001492083980 919323498 /nfs/dbraw/zinc/32/34/98/919323498.db2.gz PQSHEYBIHCZOQR-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001492128414 919328129 /nfs/dbraw/zinc/32/81/29/919328129.db2.gz SSGALYXSDVCAHA-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP CCOCC[N@H+](C)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001492220421 919364416 /nfs/dbraw/zinc/36/44/16/919364416.db2.gz IHDHRSUONZDFHJ-LBPRGKRZSA-N 2 0 273.377 -0.599 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001493059061 919473471 /nfs/dbraw/zinc/47/34/71/919473471.db2.gz VEAFKGPVFIGGBQ-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001493236933 919509832 /nfs/dbraw/zinc/50/98/32/919509832.db2.gz OCQVLQCIEOERMP-QWHCGFSZSA-N 2 0 296.415 -0.488 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001493258712 919512508 /nfs/dbraw/zinc/51/25/08/919512508.db2.gz GQDOSUKJRMGTQJ-OLZOCXBDSA-N 2 0 294.399 -0.591 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCO ZINC001493929855 919636409 /nfs/dbraw/zinc/63/64/09/919636409.db2.gz ZRSLPWRBTOEDFV-BETUJISGSA-N 2 0 269.389 -0.004 20 0 CBADRP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001494849144 919801004 /nfs/dbraw/zinc/80/10/04/919801004.db2.gz WMIWBKCUASFHQT-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC(=O)NC ZINC001494981752 919833861 /nfs/dbraw/zinc/83/38/61/919833861.db2.gz SOVTUGDQZOTNRO-OLZOCXBDSA-N 2 0 296.415 -0.441 20 0 CBADRP CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@H](C)C(=O)NC ZINC001495049453 919851074 /nfs/dbraw/zinc/85/10/74/919851074.db2.gz JEMAMHXIKAFXOX-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCCNC1=O ZINC001495110802 919863947 /nfs/dbraw/zinc/86/39/47/919863947.db2.gz YPLYLTDNYUBUGQ-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001495234888 919878402 /nfs/dbraw/zinc/87/84/02/919878402.db2.gz QYBIPGRGSWRSBJ-FZMZJTMJSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001495542241 919902280 /nfs/dbraw/zinc/90/22/80/919902280.db2.gz IGFLFHUJFIKPPS-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1nncn1C ZINC001495810876 919948632 /nfs/dbraw/zinc/94/86/32/919948632.db2.gz ZBPPYQUTUURCGK-GFCCVEGCSA-N 2 0 294.403 -0.247 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001495813582 919954052 /nfs/dbraw/zinc/95/40/52/919954052.db2.gz NLVZTAABGNWHCW-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001496083257 920022481 /nfs/dbraw/zinc/02/24/81/920022481.db2.gz WEJAENAPYPDVLE-WDEREUQCSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)N(C)C(=O)CCC[NH+](C)C ZINC001496144873 920029740 /nfs/dbraw/zinc/02/97/40/920029740.db2.gz NJZRQFSAAZOLGG-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCN(C)C1=O)N(C)C(=O)CCC[NH+](C)C ZINC001496144876 920031208 /nfs/dbraw/zinc/03/12/08/920031208.db2.gz NJZRQFSAAZOLGG-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(N)=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001496146181 920033221 /nfs/dbraw/zinc/03/32/21/920033221.db2.gz XUTQBYZRTYBZGM-GHMZBOCLSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCO ZINC001496362522 920062195 /nfs/dbraw/zinc/06/21/95/920062195.db2.gz YPWSFKRSNMPOPA-RYUDHWBXSA-N 2 0 257.378 -0.243 20 0 CBADRP CCOCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496979272 920189877 /nfs/dbraw/zinc/18/98/77/920189877.db2.gz PPPBKQBMDDECRZ-JHJVBQTASA-N 2 0 287.404 -0.570 20 0 CBADRP CO[C@@H](C)C[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001497007854 920205027 /nfs/dbraw/zinc/20/50/27/920205027.db2.gz BCFNPXBCKGLSSY-STQMWFEESA-N 2 0 299.415 -0.284 20 0 CBADRP CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001497033721 920221458 /nfs/dbraw/zinc/22/14/58/920221458.db2.gz SLZMTXUCTWLFSK-NSHDSACASA-N 2 0 257.378 -0.053 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]Cc1cncc(F)c1 ZINC001497046301 920227288 /nfs/dbraw/zinc/22/72/88/920227288.db2.gz IMCZNNBMAJGVQN-ZDUSSCGKSA-N 2 0 298.362 -0.261 20 0 CBADRP Cc1nocc1C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C ZINC001497046286 920228535 /nfs/dbraw/zinc/22/85/35/920228535.db2.gz IIRLUILVVDTLNP-LBPRGKRZSA-N 2 0 284.360 -0.499 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CC2CC2)C1 ZINC001497053742 920231400 /nfs/dbraw/zinc/23/14/00/920231400.db2.gz LBJXXDPCQBEGGX-YPMHNXCESA-N 2 0 269.389 -0.195 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC2CC2)C1 ZINC001497113225 920253300 /nfs/dbraw/zinc/25/33/00/920253300.db2.gz IEZLIQPHDAEBPR-RYUDHWBXSA-N 2 0 255.362 -0.585 20 0 CBADRP C[C@H](CC[NH2+]CC(N)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001497154520 920263299 /nfs/dbraw/zinc/26/32/99/920263299.db2.gz LDURYXBJWACMJZ-NXEZZACHSA-N 2 0 256.350 -0.950 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CC[NH2+]CC(N)=O ZINC001497334503 920285835 /nfs/dbraw/zinc/28/58/35/920285835.db2.gz YEOJWXGLAWHOJN-JTQLQIEISA-N 2 0 258.366 -0.704 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001497400264 920304012 /nfs/dbraw/zinc/30/40/12/920304012.db2.gz CMFWZTFSBAVJRD-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)C12CCC[NH+]1CCC2 ZINC001497416510 920308787 /nfs/dbraw/zinc/30/87/87/920308787.db2.gz XMQHRZQTSVZATG-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)CC[N@H+](C)CC ZINC001497478118 920310955 /nfs/dbraw/zinc/31/09/55/920310955.db2.gz RRZVMVDZHHMAFY-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497484136 920312634 /nfs/dbraw/zinc/31/26/34/920312634.db2.gz HKSDNLRWFUZONW-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CCO)CC[N@@H+]1C ZINC001497585576 920348570 /nfs/dbraw/zinc/34/85/70/920348570.db2.gz KLANNBXNUQMYEW-BLDJZWNYSA-N 2 0 255.362 -0.419 20 0 CBADRP C[C@H](O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001497650082 920359401 /nfs/dbraw/zinc/35/94/01/920359401.db2.gz NNPWIWQCXZOUFU-RRNNCXACSA-N 2 0 255.362 -0.277 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001497651651 920363949 /nfs/dbraw/zinc/36/39/49/920363949.db2.gz XRILXXVNWKLTCD-GKUNOOHESA-N 2 0 282.388 -0.523 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001497829451 920403625 /nfs/dbraw/zinc/40/36/25/920403625.db2.gz NGYAMTDDOYZFBU-YPMHNXCESA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001497833736 920406776 /nfs/dbraw/zinc/40/67/76/920406776.db2.gz RCVKHOYDSHSKPI-WOPDTQHZSA-N 2 0 286.420 -0.199 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001497878676 920413571 /nfs/dbraw/zinc/41/35/71/920413571.db2.gz XQVTZZZEXNINHF-OUAUKWLOSA-N 2 0 268.361 -0.937 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)Cn1ccnc1C ZINC001497987914 920431994 /nfs/dbraw/zinc/43/19/94/920431994.db2.gz SFNPQYZUNJUKRQ-ZJUUUORDSA-N 2 0 281.360 -0.580 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(N)=O ZINC001497994252 920438292 /nfs/dbraw/zinc/43/82/92/920438292.db2.gz YUJZOLREJRQPKJ-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001498051068 920464973 /nfs/dbraw/zinc/46/49/73/920464973.db2.gz MIRJODGGMWBGGT-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001498064089 920468311 /nfs/dbraw/zinc/46/83/11/920468311.db2.gz GXUYOWHHPOCKOC-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@H](C(=O)N(C)CCC[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001498586406 920611625 /nfs/dbraw/zinc/61/16/25/920611625.db2.gz NZBASRYMQXWZBR-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001498758191 920635971 /nfs/dbraw/zinc/63/59/71/920635971.db2.gz GUYROHGLPOMQDL-RAIGVLPGSA-N 2 0 296.415 -0.443 20 0 CBADRP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC(=O)NC ZINC001498898634 920652588 /nfs/dbraw/zinc/65/25/88/920652588.db2.gz NXIUGEHTCVFRPH-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001499230854 920726164 /nfs/dbraw/zinc/72/61/64/920726164.db2.gz KQMYXUFUJXQWLQ-QJPTWQEYSA-N 2 0 269.389 -0.054 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001499266802 920729772 /nfs/dbraw/zinc/72/97/72/920729772.db2.gz NRLKAUZACUHJGG-VXGBXAGGSA-N 2 0 294.399 -0.402 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001499448938 920748646 /nfs/dbraw/zinc/74/86/46/920748646.db2.gz XNRROLFGMOUVQY-LLVKDONJSA-N 2 0 280.372 -0.791 20 0 CBADRP CN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)C1=O ZINC001500258729 920821688 /nfs/dbraw/zinc/82/16/88/920821688.db2.gz WNRDUYPKVSGEGP-DOMZBBRYSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001500259055 920822599 /nfs/dbraw/zinc/82/25/99/920822599.db2.gz ZMZGJQPUVJFCCJ-WFASDCNBSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CCO)C1 ZINC001500376989 920831899 /nfs/dbraw/zinc/83/18/99/920831899.db2.gz XWAGEXUHXSIRMJ-ZDUSSCGKSA-N 2 0 257.378 -0.241 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001500401743 920833013 /nfs/dbraw/zinc/83/30/13/920833013.db2.gz JMXQYSFGKZYHRK-BXUZGUMPSA-N 2 0 282.388 -0.748 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CCO)CCOCC2)C1 ZINC001500600220 920840687 /nfs/dbraw/zinc/84/06/87/920840687.db2.gz CMORQXBBEODGQG-LBPRGKRZSA-N 2 0 285.388 -0.815 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001501088241 920945835 /nfs/dbraw/zinc/94/58/35/920945835.db2.gz YAFBSRPPGVEHRR-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(=O)NC)C1 ZINC001501083427 920946568 /nfs/dbraw/zinc/94/65/68/920946568.db2.gz IDFVBRGOOSHXHI-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CCCO)CN1C(=O)CC[NH+](C)C ZINC001507323509 921811455 /nfs/dbraw/zinc/81/14/55/921811455.db2.gz XADGLSLRDMACSX-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)C[C@H]1C ZINC001507335811 921812400 /nfs/dbraw/zinc/81/24/00/921812400.db2.gz ZBHGVYHXADQHCE-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP O=C(N[C@H]1CC[C@@H](C[NH2+]CCO)C1)C12CC[NH+](CC1)C2 ZINC001507415318 921819856 /nfs/dbraw/zinc/81/98/56/921819856.db2.gz JQKSLOBZPHNMCU-OLZOCXBDSA-N 2 0 281.400 -0.051 20 0 CBADRP Cc1oncc1C[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001507501585 921861437 /nfs/dbraw/zinc/86/14/37/921861437.db2.gz AQDPKURNWQKCMQ-CYBMUJFWSA-N 2 0 298.387 -0.156 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CCF)[NH+](C)C ZINC001507543264 921864364 /nfs/dbraw/zinc/86/43/64/921864364.db2.gz RLBXNCWTSXFYJN-NEPJUHHUSA-N 2 0 277.384 -0.049 20 0 CBADRP CN(C[C@H](O)C[NH2+]CCCF)C(=O)C12CC[NH+](CC1)C2 ZINC001507543717 921865038 /nfs/dbraw/zinc/86/50/38/921865038.db2.gz VCTDUHBRYPCMBQ-GFCCVEGCSA-N 2 0 287.379 -0.149 20 0 CBADRP COCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C[C@H](C)O ZINC001508055869 921910658 /nfs/dbraw/zinc/91/06/58/921910658.db2.gz NHTKEWYUAICRSE-ZDUSSCGKSA-N 2 0 299.415 -0.472 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001514593236 922206606 /nfs/dbraw/zinc/20/66/06/922206606.db2.gz DTHCTJNHJLHYCO-NSHDSACASA-N 2 0 255.362 -0.225 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC001515496309 922235619 /nfs/dbraw/zinc/23/56/19/922235619.db2.gz JGZGFAPHTAPSCB-GFCCVEGCSA-N 2 0 255.362 -0.177 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)C1CC[NH2+]CC1 ZINC001521150714 922336024 /nfs/dbraw/zinc/33/60/24/922336024.db2.gz BOSSSWAEKXPGIQ-SNVBAGLBSA-N 2 0 257.334 -0.523 20 0 CBADRP C[NH2+]CCCN(C)C(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001521195361 922340018 /nfs/dbraw/zinc/34/00/18/922340018.db2.gz RHXXIRUJSPKYFD-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@]1(C(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H](O)C[NH2+]1 ZINC001521424812 922353320 /nfs/dbraw/zinc/35/33/20/922353320.db2.gz KPVRLXCXXNIIBB-TZMCWYRMSA-N 2 0 267.373 -0.158 20 0 CBADRP C[NH+](C)CCCNC(=O)c1ccn(CCC[NH3+])n1 ZINC001521408066 922354071 /nfs/dbraw/zinc/35/40/71/922354071.db2.gz FVDVXOXYYODDIZ-UHFFFAOYSA-N 2 0 253.350 -0.087 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001521476714 922358560 /nfs/dbraw/zinc/35/85/60/922358560.db2.gz NACJCRPOKYGHTQ-CYDGBPFRSA-N 2 0 267.373 -0.361 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O)C1CC1 ZINC001521469855 922358678 /nfs/dbraw/zinc/35/86/78/922358678.db2.gz LGXLOXOLYKSSOB-CYBMUJFWSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H](O)C[NH2+]1 ZINC001521438172 922358727 /nfs/dbraw/zinc/35/87/27/922358727.db2.gz BPWDAJHVSUJABR-NRWUCQMLSA-N 2 0 267.373 -0.158 20 0 CBADRP CC[NH+]1CCC(CCNC(=O)C[C@@H](O)C[NH3+])CC1 ZINC001521482935 922360347 /nfs/dbraw/zinc/36/03/47/922360347.db2.gz YUSLUWWTSHWBKY-GFCCVEGCSA-N 2 0 257.378 -0.066 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001521490247 922361750 /nfs/dbraw/zinc/36/17/50/922361750.db2.gz RBDWXZZVLHTSRJ-AAEUAGOBSA-N 2 0 267.373 -0.096 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001521504429 922363429 /nfs/dbraw/zinc/36/34/29/922363429.db2.gz SHZBLTTVVBZXHF-WUHRBBMRSA-N 2 0 266.389 -0.511 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(C(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001521533365 922363883 /nfs/dbraw/zinc/36/38/83/922363883.db2.gz GYOLMLWGKANDDJ-ZBOXLXRLSA-N 2 0 255.362 -0.326 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC001521513923 922365870 /nfs/dbraw/zinc/36/58/70/922365870.db2.gz ZSMJPMDCAYCQRP-MDZLAQPJSA-N 2 0 255.362 -0.300 20 0 CBADRP [NH3+]CC1(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC(O)C1 ZINC001521533223 922366367 /nfs/dbraw/zinc/36/63/67/922366367.db2.gz DNNRWLFKAWNUKP-HRDQMINSSA-N 2 0 267.373 -0.312 20 0 CBADRP C[C@H]1[NH2+]CCN(C(=O)C[NH+]2CCC(CO)CC2)[C@@H]1C ZINC001521526634 922366758 /nfs/dbraw/zinc/36/67/58/922366758.db2.gz FBFBHKVTKPWULS-VXGBXAGGSA-N 2 0 269.389 -0.101 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001521508683 922367363 /nfs/dbraw/zinc/36/73/63/922367363.db2.gz ZGKPZXRBNWSBNQ-NEPJUHHUSA-N 2 0 255.362 -0.313 20 0 CBADRP C[NH2+]C1CC(C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC001521610786 922368023 /nfs/dbraw/zinc/36/80/23/922368023.db2.gz KDXNLWCPYFBADP-UHFFFAOYSA-N 2 0 255.362 -0.177 20 0 CBADRP CN(C(=O)C[C@]1(O)CCC[NH2+]C1)[C@H](C[NH3+])C1CC1 ZINC001521691469 922374634 /nfs/dbraw/zinc/37/46/34/922374634.db2.gz PYKDMQFICZBREB-DGCLKSJQSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC1([NH+](C)C)CC1 ZINC001521666490 922374653 /nfs/dbraw/zinc/37/46/53/922374653.db2.gz LNTAYWRLASASPP-VXGBXAGGSA-N 2 0 266.389 -0.415 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001521740978 922376596 /nfs/dbraw/zinc/37/65/96/922376596.db2.gz RPQHWDYWYKQMBR-NWDGAFQWSA-N 2 0 266.389 -0.319 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001521741285 922377391 /nfs/dbraw/zinc/37/73/91/922377391.db2.gz XCBVGAKEHWKJLM-UTUOFQBUSA-N 2 0 269.389 -0.006 20 0 CBADRP O=C(NCC[C@H]1CSCC[NH2+]1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001521741293 922378532 /nfs/dbraw/zinc/37/85/32/922378532.db2.gz XEJPYJYFRINJQC-UKKRHICBSA-N 2 0 255.387 -0.337 20 0 CBADRP [NH3+]Cc1ccc(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)o1 ZINC001521956573 922389517 /nfs/dbraw/zinc/38/95/17/922389517.db2.gz QFSYNUMGRFOSCN-MRVPVSSYSA-N 2 0 251.286 -0.401 20 0 CBADRP C[C@H](CCNC(=O)C[C@]1(O)CCC[NH2+]C1)[NH+](C)C ZINC001521939722 922390633 /nfs/dbraw/zinc/39/06/33/922390633.db2.gz PHXUTJSCKIHBSR-DGCLKSJQSA-N 2 0 257.378 -0.053 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001521932139 922390704 /nfs/dbraw/zinc/39/07/04/922390704.db2.gz TWHFAOAXWUMVIM-MFKMUULPSA-N 2 0 255.362 -0.192 20 0 CBADRP O=C(NCC1(O)C[NH2+]C1)c1coc([C@@H]2CCC[NH2+]2)n1 ZINC001521918552 922391561 /nfs/dbraw/zinc/39/15/61/922391561.db2.gz LQHJAXMNZRSVNR-QMMMGPOBSA-N 2 0 266.301 -0.837 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001521929493 922392004 /nfs/dbraw/zinc/39/20/04/922392004.db2.gz CIXFALNDGPDXBL-STQMWFEESA-N 2 0 269.389 -0.066 20 0 CBADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001522084489 922397081 /nfs/dbraw/zinc/39/70/81/922397081.db2.gz QEHBNCUPAFHOLX-UTUOFQBUSA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001522279516 922402890 /nfs/dbraw/zinc/40/28/90/922402890.db2.gz QBUZQLUUNIKRAY-GMTAPVOTSA-N 2 0 268.361 -0.868 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCCC[C@H]1C[NH3+] ZINC001522444912 922416878 /nfs/dbraw/zinc/41/68/78/922416878.db2.gz IFJCNKVFBHLYFH-RWMBFGLXSA-N 2 0 266.389 -0.286 20 0 CBADRP CC1(C)[C@H](C(=O)NCCN2CCC([NH3+])CC2)C[C@@H]1[NH3+] ZINC001522639078 922493637 /nfs/dbraw/zinc/49/36/37/922493637.db2.gz JGDWCKRQHXHSSL-RYUDHWBXSA-N 2 0 268.405 -0.101 20 0 CBADRP C[NH+](C)CCC(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001522653635 922496352 /nfs/dbraw/zinc/49/63/52/922496352.db2.gz KOODOAJWZXVDQQ-LLVKDONJSA-N 2 0 270.377 -0.878 20 0 CBADRP CC1(C)CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@@H]1[NH3+] ZINC001522708404 922507843 /nfs/dbraw/zinc/50/78/43/922507843.db2.gz SDRYYAKUQUZWDY-JTQLQIEISA-N 2 0 263.345 -0.135 20 0 CBADRP [NH3+]Cc1ccccc1C(=O)N1CCNCC[NH2+]CC1 ZINC001522985319 922557116 /nfs/dbraw/zinc/55/71/16/922557116.db2.gz VLQJOCWGAVJAJF-UHFFFAOYSA-N 2 0 262.357 -0.220 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001523010434 922558086 /nfs/dbraw/zinc/55/80/86/922558086.db2.gz REGFANFUIFWPBO-GVXVVHGQSA-N 2 0 255.362 -0.313 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001523010436 922558572 /nfs/dbraw/zinc/55/85/72/922558572.db2.gz REGFANFUIFWPBO-NTZNESFSSA-N 2 0 255.362 -0.313 20 0 CBADRP CC[C@]1(C(=O)N2CCC[C@]([NH3+])(CO)C2)CCC[NH2+]1 ZINC001523010702 922560038 /nfs/dbraw/zinc/56/00/38/922560038.db2.gz WJFACILTLSJJIK-CHWSQXEVSA-N 2 0 255.362 -0.169 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCNCC[NH2+]CC2)C1 ZINC001523000577 922560186 /nfs/dbraw/zinc/56/01/86/922560186.db2.gz WHQSWXODARIGQR-NEPJUHHUSA-N 2 0 254.378 -0.604 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC001523026400 922562613 /nfs/dbraw/zinc/56/26/13/922562613.db2.gz ANKUZNJIQWZCFC-VXGBXAGGSA-N 2 0 255.362 -0.048 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001523066080 922568890 /nfs/dbraw/zinc/56/88/90/922568890.db2.gz DTZXFGCQNWPWIT-YNEHKIRRSA-N 2 0 267.373 -0.177 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001523457195 922592689 /nfs/dbraw/zinc/59/26/89/922592689.db2.gz RKWLCGNXVZFPKL-CYBMUJFWSA-N 2 0 257.378 -0.099 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])C[C@]2(C)C1 ZINC001523448551 922593551 /nfs/dbraw/zinc/59/35/51/922593551.db2.gz OCGQOTXDTDVTHX-BYNQJWBRSA-N 2 0 267.373 -0.240 20 0 CBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1[NH2+]CC12CCOCC2 ZINC001523513608 922595542 /nfs/dbraw/zinc/59/55/42/922595542.db2.gz CPXYQIIEQARJHD-WRWGMCAJSA-N 2 0 265.357 -0.236 20 0 CBADRP [NH3+]C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCCOC1 ZINC001523514495 922596789 /nfs/dbraw/zinc/59/67/89/922596789.db2.gz OCPFYKHSZURWIK-XZUYRWCXSA-N 2 0 253.346 -0.249 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001523507117 922597926 /nfs/dbraw/zinc/59/79/26/922597926.db2.gz JGPSEEQZOMELLL-NZEXEKPDSA-N 2 0 264.373 -0.616 20 0 CBADRP [NH3+][C@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2)C12CCC2 ZINC001523604882 922600852 /nfs/dbraw/zinc/60/08/52/922600852.db2.gz AZPMQXUGLZYYED-WDEREUQCSA-N 2 0 252.362 -0.722 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC001523605146 922601151 /nfs/dbraw/zinc/60/11/51/922601151.db2.gz DZPFHGFJIKSQGY-HBNTYKKESA-N 2 0 254.378 -0.349 20 0 CBADRP [NH3+][C@@H]1C[C@@H](NC(=O)C[C@@H]2C[NH2+]CCO2)C12CCC2 ZINC001523605991 922601194 /nfs/dbraw/zinc/60/11/94/922601194.db2.gz RBHSKUPAUMTDBF-GMTAPVOTSA-N 2 0 253.346 -0.249 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001524028540 922613975 /nfs/dbraw/zinc/61/39/75/922613975.db2.gz CFKFMTFTWWYTQB-SDDRHHMPSA-N 2 0 256.394 -0.408 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001524111879 922620655 /nfs/dbraw/zinc/62/06/55/922620655.db2.gz AGHJYRCPJNPRGR-YPMHNXCESA-N 2 0 255.362 -0.443 20 0 CBADRP [NH3+]C[C@H](C(=O)N1CCCO[C@H](C[NH3+])C1)C1CCOCC1 ZINC001548433713 923353128 /nfs/dbraw/zinc/35/31/28/923353128.db2.gz LUDLLPONKTYLDC-OLZOCXBDSA-N 2 0 285.388 -0.436 20 0 CBADRP [NH3+]C[C@@H](C(=O)N1CCCO[C@@H](C[NH3+])C1)C1CCOCC1 ZINC001548433715 923354600 /nfs/dbraw/zinc/35/46/00/923354600.db2.gz LUDLLPONKTYLDC-QWHCGFSZSA-N 2 0 285.388 -0.436 20 0 CBADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1C[NH2+]CCN1C ZINC001548547973 923372564 /nfs/dbraw/zinc/37/25/64/923372564.db2.gz LSWREQPMQCBHSH-QWHCGFSZSA-N 2 0 268.405 -0.119 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CCO4)C[C@@H]21 ZINC001548556060 923378325 /nfs/dbraw/zinc/37/83/25/923378325.db2.gz YFJRZVYZUJRCIO-VVSAWPALSA-N 2 0 279.384 -0.049 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC001548554732 923378975 /nfs/dbraw/zinc/37/89/75/923378975.db2.gz FMRIYLKTISWXHH-CYBMUJFWSA-N 2 0 275.356 -0.431 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)CCO1 ZINC001548556342 923379557 /nfs/dbraw/zinc/37/95/57/923379557.db2.gz ATOFXBGYCOKMDN-GXFFZTMASA-N 2 0 282.344 -0.929 20 0 CBADRP O=C(C1=NO[C@@]2(C1)CCC[NH2+]C2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001548556644 923380278 /nfs/dbraw/zinc/38/02/78/923380278.db2.gz BNZAJICMXKNAKR-UHIISALHSA-N 2 0 278.356 -0.437 20 0 CBADRP COc1ccccc1[C@H]1CNCCN1C(=O)C[C@H](O)C[NH3+] ZINC001548557635 923380317 /nfs/dbraw/zinc/38/03/17/923380317.db2.gz JEPYSZAGTSKVDC-WCQYABFASA-N 2 0 293.367 -0.122 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2)C(F)F ZINC001548557283 923380857 /nfs/dbraw/zinc/38/08/57/923380857.db2.gz VDPMBUHMINCRCW-PRHODGIISA-N 2 0 290.314 -0.016 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC001548558674 923381795 /nfs/dbraw/zinc/38/17/95/923381795.db2.gz PRPJMUOSCXEWEV-CABCVRRESA-N 2 0 288.395 -0.107 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001548558594 923384203 /nfs/dbraw/zinc/38/42/03/923384203.db2.gz OHKRTEHFTKIKFF-GVXVVHGQSA-N 2 0 273.352 -0.351 20 0 CBADRP CC1(C)CN(C(=O)[C@]23C[NH2+]C[C@H]2CCO3)CC[NH2+]1 ZINC001548559912 923384618 /nfs/dbraw/zinc/38/46/18/923384618.db2.gz WYFGNJSCCDABOP-MFKMUULPSA-N 2 0 253.346 -0.425 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NCC[C@@H]1CSCC[NH2+]1 ZINC001548564825 923385152 /nfs/dbraw/zinc/38/51/52/923385152.db2.gz GVVJUJRZJRGWTA-YPMHNXCESA-N 2 0 287.429 -0.298 20 0 CBADRP C[C@@H]1CC2(CN1C(=O)[C@@H]1C[NH2+]CCN1C)CC[NH2+]CC2 ZINC001548563062 923385542 /nfs/dbraw/zinc/38/55/42/923385542.db2.gz KGUQJDDOWMAGET-OLZOCXBDSA-N 2 0 280.416 -0.119 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)NCC[C@@H]1CSCC[NH2+]1 ZINC001548562482 923385772 /nfs/dbraw/zinc/38/57/72/923385772.db2.gz DOWOPSUVEUNKSW-GHMZBOCLSA-N 2 0 273.402 -0.424 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NCC[C@@H]1CSCC[NH2+]1 ZINC001548563739 923387506 /nfs/dbraw/zinc/38/75/06/923387506.db2.gz POSQBWDXYYKENO-GHMZBOCLSA-N 2 0 273.402 -0.424 20 0 CBADRP C[C@@H]1CC2(CN1C(=O)[C@H]1C[NH2+]CCN1C)CC[NH2+]CC2 ZINC001548563053 923387602 /nfs/dbraw/zinc/38/76/02/923387602.db2.gz KGUQJDDOWMAGET-CHWSQXEVSA-N 2 0 280.416 -0.119 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)NCC[C@@H]2CSCC[NH2+]2)=NO1 ZINC001548566066 923389196 /nfs/dbraw/zinc/38/91/96/923389196.db2.gz UAKRGLATJGIURU-RKDXNWHRSA-N 2 0 272.374 -0.699 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001548566025 923389505 /nfs/dbraw/zinc/38/95/05/923389505.db2.gz RZQWZXHEHDMPEM-WDEREUQCSA-N 2 0 272.418 -0.899 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001548564831 923391581 /nfs/dbraw/zinc/39/15/81/923391581.db2.gz GZNKSJQUCRZZJS-DCAQKATOSA-N 2 0 273.402 -0.439 20 0 CBADRP O=C(N[C@H]1COC2(C[NH2+]C2)C1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001548570099 923394099 /nfs/dbraw/zinc/39/40/99/923394099.db2.gz VBVWVMNVLQXYLS-MFKMUULPSA-N 2 0 294.355 -0.868 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)c1ccc2c(c1)CC[NH2+]CC2 ZINC001548573669 923396975 /nfs/dbraw/zinc/39/69/75/923396975.db2.gz SLUFDLDTXCHYAN-UONOGXRCSA-N 2 0 275.352 -0.563 20 0 CBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1CCO3)C2 ZINC001548573598 923397082 /nfs/dbraw/zinc/39/70/82/923397082.db2.gz ITTQTZIMFTYPOT-RFHZTLPTSA-N 2 0 265.357 -0.295 20 0 CBADRP COc1cccc(C[C@H]([NH3+])C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC001548573029 923397773 /nfs/dbraw/zinc/39/77/73/923397773.db2.gz BYUPWCANKCLEEY-XQQFMLRXSA-N 2 0 279.340 -0.986 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCO3)CC[C@H]1F ZINC001548572544 923397941 /nfs/dbraw/zinc/39/79/41/923397941.db2.gz RUBOSJCTDODXIJ-BFLSOPEQSA-N 2 0 257.309 -0.737 20 0 CBADRP [NH3+]C[C@]1(C(=O)N2CCC[C@H]([NH2+]CCO)C2)CCCOC1 ZINC001548575179 923400742 /nfs/dbraw/zinc/40/07/42/923400742.db2.gz ZABGGRZALOROSC-GXTWGEPZSA-N 2 0 285.388 -0.685 20 0 CBADRP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCC[C@H]([NH2+]CCO)C1 ZINC001548574965 923400772 /nfs/dbraw/zinc/40/07/72/923400772.db2.gz PVCCXNWKSGANTP-KCQAQPDRSA-N 2 0 281.400 -0.051 20 0 CBADRP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001548574964 923401180 /nfs/dbraw/zinc/40/11/80/923401180.db2.gz PVCCXNWKSGANTP-IPYPFGDCSA-N 2 0 281.400 -0.051 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548575661 923401382 /nfs/dbraw/zinc/40/13/82/923401382.db2.gz HIMRGHBMDWYNFP-NSHDSACASA-N 2 0 284.404 -0.755 20 0 CBADRP CC1(C)CN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC2(C[NH2+]C2)O1 ZINC001548580090 923403326 /nfs/dbraw/zinc/40/33/26/923403326.db2.gz VVCFETATWABOEC-BXUZGUMPSA-N 2 0 279.384 -0.035 20 0 CBADRP O=C(N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548577254 923403786 /nfs/dbraw/zinc/40/37/86/923403786.db2.gz LKEDZLKGWVIVPC-DCQANWLSSA-N 2 0 251.330 -0.672 20 0 CBADRP CC(C)C[C@H](C[NH3+])CC(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001548578389 923403953 /nfs/dbraw/zinc/40/39/53/923403953.db2.gz JFHWJNUUAVGFPG-SMDDNHRTSA-N 2 0 282.388 -0.007 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1=O ZINC001548583906 923406113 /nfs/dbraw/zinc/40/61/13/923406113.db2.gz FOGPWKRDCDHRIT-RYUDHWBXSA-N 2 0 296.415 -0.408 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC001548583571 923406203 /nfs/dbraw/zinc/40/62/03/923406203.db2.gz BGOVBEMYCKCFOK-LBPRGKRZSA-N 2 0 268.405 -0.180 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC001548640573 923420156 /nfs/dbraw/zinc/42/01/56/923420156.db2.gz WXIHGWSBIYRIIX-MCIONIFRSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC001548638125 923422942 /nfs/dbraw/zinc/42/29/42/923422942.db2.gz IASUYXWSIFTDNQ-MCIONIFRSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC001548643461 923425489 /nfs/dbraw/zinc/42/54/89/923425489.db2.gz LSUUJEMEGXTQEO-MCIONIFRSA-N 2 0 280.416 -0.167 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC001548644742 923426442 /nfs/dbraw/zinc/42/64/42/923426442.db2.gz WBINMDPLKRTHTN-YUELXQCFSA-N 2 0 292.427 -0.073 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC001548643457 923427696 /nfs/dbraw/zinc/42/76/96/923427696.db2.gz LSUUJEMEGXTQEO-HZSPNIEDSA-N 2 0 280.416 -0.167 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001548645011 923428652 /nfs/dbraw/zinc/42/86/52/923428652.db2.gz WXZLFTWFTXQPKL-OCCSQVGLSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)CC[N@@H+]1C ZINC001548653221 923430959 /nfs/dbraw/zinc/43/09/59/923430959.db2.gz BWIHLKJXONHWLV-RQJABVFESA-N 2 0 280.416 -0.026 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH+]1CCCOCC1 ZINC001548689898 923456182 /nfs/dbraw/zinc/45/61/82/923456182.db2.gz IUWLKYYCRYPZMM-ZIAGYGMSSA-N 2 0 296.415 -0.787 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC001548716614 923472398 /nfs/dbraw/zinc/47/23/98/923472398.db2.gz VTORLDQXYUTPDD-XJFOESAGSA-N 2 0 278.400 -0.463 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCN2C[C@@H]3C)C[C@H](C)[N@H+]1C ZINC001548711152 923472436 /nfs/dbraw/zinc/47/24/36/923472436.db2.gz SZNIFCNOOCJBAR-RFQIPJPRSA-N 2 0 280.416 -0.074 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC([NH+]2CCCC2)C1 ZINC001548726935 923480797 /nfs/dbraw/zinc/48/07/97/923480797.db2.gz AIKYZBNBARISAG-OCCSQVGLSA-N 2 0 278.400 -0.319 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)C1 ZINC001548750703 923494049 /nfs/dbraw/zinc/49/40/49/923494049.db2.gz NRMJVIFIXHHFBJ-OAHLLOKOSA-N 2 0 298.431 -0.995 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC12CC2 ZINC001549024215 923523579 /nfs/dbraw/zinc/52/35/79/923523579.db2.gz COHRKJNHQUFMJU-GHMZBOCLSA-N 2 0 268.361 -0.502 20 0 CBADRP CCC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001549034390 923526118 /nfs/dbraw/zinc/52/61/18/923526118.db2.gz JMOFTYZXJSEAHD-SRVKXCTJSA-N 2 0 265.361 -0.199 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC001549032534 923526697 /nfs/dbraw/zinc/52/66/97/923526697.db2.gz YPYYWIVOAWUBBO-BXUZGUMPSA-N 2 0 280.372 -0.791 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@@H]1c1ccc(F)cc1 ZINC001549042822 923527603 /nfs/dbraw/zinc/52/76/03/923527603.db2.gz DFJQLNKLPKJNHH-DGAVXFQQSA-N 2 0 293.342 -0.198 20 0 CBADRP [NH3+]Cc1ccc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)o1 ZINC001549044564 923529129 /nfs/dbraw/zinc/52/91/29/923529129.db2.gz XHEWWDYIVVPXOA-LLVKDONJSA-N 2 0 278.356 -0.142 20 0 CBADRP COC1(C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)CC[NH2+]CC1 ZINC001549044551 923530291 /nfs/dbraw/zinc/53/02/91/923530291.db2.gz CPHJLPBNEBTDSX-NEPJUHHUSA-N 2 0 283.372 -0.656 20 0 CBADRP Nc1cc[nH+]cc1C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549044759 923536944 /nfs/dbraw/zinc/53/69/44/923536944.db2.gz CJZRJWSPFBOMFJ-VXGBXAGGSA-N 2 0 262.313 -0.303 20 0 CBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549045060 923537358 /nfs/dbraw/zinc/53/73/58/923537358.db2.gz SDJDECZNHMNSMG-RNWYCLNJSA-N 2 0 251.330 -0.959 20 0 CBADRP Nc1cc[nH+]cc1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549046290 923538659 /nfs/dbraw/zinc/53/86/59/923538659.db2.gz SFIJSJDYVVAQSE-LLVKDONJSA-N 2 0 275.356 -0.386 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001549045803 923540118 /nfs/dbraw/zinc/54/01/18/923540118.db2.gz SBVLRFMBUCPAEV-XUXIUFHCSA-N 2 0 281.400 -0.053 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3CCC[NH2+]3)C2)nn1 ZINC001549047307 923542977 /nfs/dbraw/zinc/54/29/77/923542977.db2.gz ODOCOQWFEKSDGD-VXGBXAGGSA-N 2 0 278.360 -0.348 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549048500 923545677 /nfs/dbraw/zinc/54/56/77/923545677.db2.gz NRJSBLRAHJZGJB-GDPRMGEGSA-N 2 0 251.334 -0.590 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[NH2+]C3)C[C@@H]2[NH3+])cn1 ZINC001549048433 923546378 /nfs/dbraw/zinc/54/63/78/923546378.db2.gz JORXSQGUPRWZKF-DRZSPHRISA-N 2 0 277.372 -0.327 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549048501 923546590 /nfs/dbraw/zinc/54/65/90/923546590.db2.gz NRJSBLRAHJZGJB-JMJZKYOTSA-N 2 0 251.334 -0.590 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[NH2+]C3)C[C@H]2[NH3+])cn1 ZINC001549048434 923546791 /nfs/dbraw/zinc/54/67/91/923546791.db2.gz JORXSQGUPRWZKF-KGYLQXTDSA-N 2 0 277.372 -0.327 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C[NH2+]C3CC3)C[C@@H]2[NH3+])cn1 ZINC001549049805 923549295 /nfs/dbraw/zinc/54/92/95/923549295.db2.gz IGESBUOFQDFYGR-RYUDHWBXSA-N 2 0 263.345 -0.575 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001549050477 923550206 /nfs/dbraw/zinc/55/02/06/923550206.db2.gz NEGCYYCIJDUEAA-ZMLRMANQSA-N 2 0 265.361 -0.199 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@]3(C)CC[NH2+]C3)C[C@@H]2[NH3+])cn1 ZINC001549050909 923550358 /nfs/dbraw/zinc/55/03/58/923550358.db2.gz QSPMCZKCQZWPHA-OBJOEFQTSA-N 2 0 277.372 -0.327 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C[C@@H]3COCC[NH2+]3)C[C@H]2[NH3+])cn1 ZINC001549052825 923554944 /nfs/dbraw/zinc/55/49/44/923554944.db2.gz WWGOMVUKMHUGGQ-FRRDWIJNSA-N 2 0 293.371 -0.948 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]1CC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001549125234 923560494 /nfs/dbraw/zinc/56/04/94/923560494.db2.gz INQFPPNLXPUQES-IJLUTSLNSA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(N1CC[C@]2(CCC[NH2+]2)C1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001549124073 923560605 /nfs/dbraw/zinc/56/06/05/923560605.db2.gz NTHQNLTURNKAKE-BNOWGMLFSA-N 2 0 265.357 -0.423 20 0 CBADRP O=C([C@@H]1CCC[NH2+]CC1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549122151 923560659 /nfs/dbraw/zinc/56/06/59/923560659.db2.gz PENNJIXWFJJJMW-JHJVBQTASA-N 2 0 267.373 -0.035 20 0 CBADRP O=C([C@H]1CCC[NH2+]CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549122125 923561493 /nfs/dbraw/zinc/56/14/93/923561493.db2.gz OYNUOAPHIPZQDR-UONOGXRCSA-N 2 0 280.416 -0.118 20 0 CBADRP CN(C(=O)NC[C@H]1C[NH2+]CCCO1)[C@@H]1CC[N@H+](C)C1 ZINC001549211095 923570925 /nfs/dbraw/zinc/57/09/25/923570925.db2.gz TYTYDBMYBDJQGU-VXGBXAGGSA-N 2 0 270.377 -0.290 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)O1 ZINC001549288243 923575927 /nfs/dbraw/zinc/57/59/27/923575927.db2.gz NYLBWKJSDVLHKO-MDZLAQPJSA-N 2 0 253.346 -0.282 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001549290282 923576409 /nfs/dbraw/zinc/57/64/09/923576409.db2.gz LKBMTKFXFYYJIZ-KQXCDPHESA-N 2 0 251.330 -0.828 20 0 CBADRP O=C([C@H]1CCCC[NH2+]C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549286026 923577790 /nfs/dbraw/zinc/57/77/90/923577790.db2.gz OFWUHEZIEONEOB-UONOGXRCSA-N 2 0 280.416 -0.118 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001549290043 923578382 /nfs/dbraw/zinc/57/83/82/923578382.db2.gz JAKGHNIYGXITIR-UTZTVMBJSA-N 2 0 251.330 -0.909 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001549290283 923578697 /nfs/dbraw/zinc/57/86/97/923578697.db2.gz LKBMTKFXFYYJIZ-QYABHDJLSA-N 2 0 251.330 -0.828 20 0 CBADRP O=C(C[N@@H+]1CC[C@H](CN2CCCC2=O)C1)N1CC[NH2+]CC1 ZINC001549285555 923579031 /nfs/dbraw/zinc/57/90/31/923579031.db2.gz WHBXQVICHHOBKT-ZDUSSCGKSA-N 2 0 294.399 -0.638 20 0 CBADRP [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)C3(O)C[NH2+]C3)CC2)C1 ZINC001549291863 923581805 /nfs/dbraw/zinc/58/18/05/923581805.db2.gz LTNWLCXFKHZMLM-RYUDHWBXSA-N 2 0 283.372 -0.934 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C[C@@H]1F)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549294253 923583256 /nfs/dbraw/zinc/58/32/56/923583256.db2.gz RIBBZWAVFFSKRK-ZDEQEGDKSA-N 2 0 285.363 -0.087 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001549295458 923584725 /nfs/dbraw/zinc/58/47/25/923584725.db2.gz QPRIIUXCFVCZQZ-IHRRRGAJSA-N 2 0 281.400 -0.053 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001549296235 923585718 /nfs/dbraw/zinc/58/57/18/923585718.db2.gz KXZICKUFQWZYGO-OLZOCXBDSA-N 2 0 290.367 -0.677 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001549298888 923588846 /nfs/dbraw/zinc/58/88/46/923588846.db2.gz YVKZELMRCKKLSM-CVZZAPKMSA-N 2 0 290.371 -0.234 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCc1cccc(N2CC[C@@H]([NH3+])C2)n1 ZINC001549726700 923630479 /nfs/dbraw/zinc/63/04/79/923630479.db2.gz OQBMNIVVLPFDNH-ADEWGFFLSA-N 2 0 275.356 -0.418 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549728326 923632422 /nfs/dbraw/zinc/63/24/22/923632422.db2.gz OOMMEIYLJIQFIO-SUHUHFCYSA-N 2 0 296.415 -0.395 20 0 CBADRP C[C@H]([NH3+])C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549729058 923633533 /nfs/dbraw/zinc/63/35/33/923633533.db2.gz XXLCKHISFPJGPM-XRNSZHNASA-N 2 0 268.361 -0.903 20 0 CBADRP C[NH2+][C@H](C)C(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549731950 923633606 /nfs/dbraw/zinc/63/36/06/923633606.db2.gz BXHSOSXNGROTPF-KXUCPTDWSA-N 2 0 251.334 -0.719 20 0 CBADRP O=C(Nc1c[nH]nc1[C@@H]1CC[NH2+]C1)[C@@H]1C[NH2+]CCOC1 ZINC001549733071 923633626 /nfs/dbraw/zinc/63/36/26/923633626.db2.gz COCYMBUNZMXTEM-NXEZZACHSA-N 2 0 279.344 -0.339 20 0 CBADRP O=C(CN1CC[NH2+]CC1)Nc1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001549737410 923634978 /nfs/dbraw/zinc/63/49/78/923634978.db2.gz NMZPCQNUFSVEGP-JTQLQIEISA-N 2 0 278.360 -0.670 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)C[C@H]3CCC[NH2+]3)C[C@H]2[NH3+])c1 ZINC001549736918 923635330 /nfs/dbraw/zinc/63/53/30/923635330.db2.gz ZVNJVMMGJLUZMP-IJLUTSLNSA-N 2 0 277.372 -0.185 20 0 CBADRP O=C(CN1CC[NH2+]CC1)Nc1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001549737414 923636653 /nfs/dbraw/zinc/63/66/53/923636653.db2.gz NMZPCQNUFSVEGP-SNVBAGLBSA-N 2 0 278.360 -0.670 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)C3([NH3+])CCC3)C[C@H]2[NH3+])c1 ZINC001549745589 923637747 /nfs/dbraw/zinc/63/77/47/923637747.db2.gz ZYRSWJQBRLETSG-NXEZZACHSA-N 2 0 263.345 -0.445 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1 ZINC001549741266 923637915 /nfs/dbraw/zinc/63/79/15/923637915.db2.gz YTAZWYROVNKBAA-VWYCJHECSA-N 2 0 265.361 -0.329 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549742785 923638049 /nfs/dbraw/zinc/63/80/49/923638049.db2.gz UMDLRXZFMOASJW-RHYQMDGZSA-N 2 0 277.372 -0.471 20 0 CBADRP Cn1cnc([C@H]2CN(C(=O)C3CC([NH3+])C3)C[C@H]2[NH3+])c1 ZINC001549740124 923638932 /nfs/dbraw/zinc/63/89/32/923638932.db2.gz WDPSQZJFOOQAAJ-WFBLGPOFSA-N 2 0 263.345 -0.590 20 0 CBADRP [NH3+]C[C@H](C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1)C1CCOCC1 ZINC001549750988 923640673 /nfs/dbraw/zinc/64/06/73/923640673.db2.gz KCUCRYXQRNJDPA-MELADBBJSA-N 2 0 297.399 -0.423 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549750199 923643058 /nfs/dbraw/zinc/64/30/58/923643058.db2.gz ZDQWSCBBHKFXJQ-BJDJZHNGSA-N 2 0 277.372 -0.329 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC[C@@H]21 ZINC001549883200 923643696 /nfs/dbraw/zinc/64/36/96/923643696.db2.gz LENDLJLYJOKTHS-UPJWGTAASA-N 2 0 294.399 -0.593 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001549884284 923643804 /nfs/dbraw/zinc/64/38/04/923643804.db2.gz WGEZPAPHRFNFGX-PSEXLTFBSA-N 2 0 294.399 -0.499 20 0 CBADRP O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001549884952 923644426 /nfs/dbraw/zinc/64/44/26/923644426.db2.gz LHQMNPHCHKHZDG-AFDWVFOBSA-N 2 0 279.384 -0.131 20 0 CBADRP CC1(C)CC[NH2+]CCN1C(=O)[C@@H]1OCC[C@H]1C[NH3+] ZINC001549902194 923648675 /nfs/dbraw/zinc/64/86/75/923648675.db2.gz YZBOOKIVPBZIJD-WDEREUQCSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001549951645 923655399 /nfs/dbraw/zinc/65/53/99/923655399.db2.gz USRUZISKGNXGLW-STQMWFEESA-N 2 0 292.387 -0.313 20 0 CBADRP C[C@@H](C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001549995601 923660388 /nfs/dbraw/zinc/66/03/88/923660388.db2.gz KOSKGEFQSZGCHR-STQMWFEESA-N 2 0 268.405 -0.215 20 0 CBADRP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001550060719 923663894 /nfs/dbraw/zinc/66/38/94/923663894.db2.gz VHRZGKCPGVUONI-JHJVBQTASA-N 2 0 284.379 -0.560 20 0 CBADRP C[C@]1(C(=O)N2C[C@@H]3CCC[C@@]3(C[NH3+])C2)C[NH2+]CCO1 ZINC001550068545 923665666 /nfs/dbraw/zinc/66/56/66/923665666.db2.gz OCOXASVRKJKXNO-IACUBPJLSA-N 2 0 267.373 -0.048 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC001550074013 923665778 /nfs/dbraw/zinc/66/57/78/923665778.db2.gz RRSNSAZQZWLNTM-HBNTYKKESA-N 2 0 253.346 -0.236 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001550073501 923666108 /nfs/dbraw/zinc/66/61/08/923666108.db2.gz KLAMLMOESKCYPN-DMDPSCGWSA-N 2 0 265.357 -0.377 20 0 CBADRP CO[C@@H]1C[NH2+][C@H](C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC001550074012 923666460 /nfs/dbraw/zinc/66/64/60/923666460.db2.gz RRSNSAZQZWLNTM-GARJFASQSA-N 2 0 253.346 -0.236 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001550073503 923667567 /nfs/dbraw/zinc/66/75/67/923667567.db2.gz KLAMLMOESKCYPN-WZRBSPASSA-N 2 0 265.357 -0.377 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550080006 923669078 /nfs/dbraw/zinc/66/90/78/923669078.db2.gz FUTYBAJZGMCYNH-AXFHLTTASA-N 2 0 253.346 -0.392 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]1C(=O)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550080008 923669331 /nfs/dbraw/zinc/66/93/31/923669331.db2.gz FUTYBAJZGMCYNH-HBNTYKKESA-N 2 0 253.346 -0.392 20 0 CBADRP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)[C@H]1C[C@H](O)C[NH2+]1 ZINC001550077246 923669616 /nfs/dbraw/zinc/66/96/16/923669616.db2.gz XKYQKSRKFJGKEK-NWDGAFQWSA-N 2 0 277.324 -0.170 20 0 CBADRP [NH3+]CCn1cc(C(=O)NC[C@H]2CC23CC[NH2+]CC3)nn1 ZINC001550082876 923669674 /nfs/dbraw/zinc/66/96/74/923669674.db2.gz XBGNKVVYWRMCRO-SNVBAGLBSA-N 2 0 278.360 -0.644 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550082462 923670580 /nfs/dbraw/zinc/67/05/80/923670580.db2.gz VYTKHXBSBULAGF-TUAOUCFPSA-N 2 0 267.373 -0.144 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550082459 923670747 /nfs/dbraw/zinc/67/07/47/923670747.db2.gz VYTKHXBSBULAGF-SRVKXCTJSA-N 2 0 267.373 -0.144 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NC[C@H]2CC23CC[NH2+]CC3)nn1 ZINC001550082705 923670825 /nfs/dbraw/zinc/67/08/25/923670825.db2.gz UTRTUJWTZPRZRW-LLVKDONJSA-N 2 0 292.387 -0.254 20 0 CBADRP O=C(NC[C@@H]1CC12CC[NH2+]CC2)[C@]12C[NH2+]C[C@H]1COC2 ZINC001550080358 923670854 /nfs/dbraw/zinc/67/08/54/923670854.db2.gz JPVLHKWHYRHSNA-HUBLWGQQSA-N 2 0 279.384 -0.272 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]1)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550088310 923671435 /nfs/dbraw/zinc/67/14/35/923671435.db2.gz MQNLHPJUDPAFMB-PWSUYJOCSA-N 2 0 278.360 -0.429 20 0 CBADRP CC[C@H]([NH3+])C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087463 923671492 /nfs/dbraw/zinc/67/14/92/923671492.db2.gz VDCVWGGISFVEHK-ZJUUUORDSA-N 2 0 252.322 -0.834 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087681 923671942 /nfs/dbraw/zinc/67/19/42/923671942.db2.gz CJVYEOOCLWLDAG-MWLCHTKSSA-N 2 0 266.349 -0.716 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]1CC(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087608 923672337 /nfs/dbraw/zinc/67/23/37/923672337.db2.gz ZAMUSAKNONHHPD-KGYLQXTDSA-N 2 0 292.387 -0.054 20 0 CBADRP C[C@]1(C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)CCC[NH2+]1 ZINC001550087187 923672454 /nfs/dbraw/zinc/67/24/54/923672454.db2.gz PVSKMWANXYLNKG-WCQYABFASA-N 2 0 278.360 -0.429 20 0 CBADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@H]1CCCC[NH2+]C1 ZINC001550088192 923672952 /nfs/dbraw/zinc/67/29/52/923672952.db2.gz OAJBKUUTFPIMRS-AAEUAGOBSA-N 2 0 292.387 -0.182 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087394 923673364 /nfs/dbraw/zinc/67/33/64/923673364.db2.gz RRWLPMPTEYYGFI-UHTWSYAYSA-N 2 0 292.387 -0.183 20 0 CBADRP O=C(C[NH2+]C1CC1)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087562 923673463 /nfs/dbraw/zinc/67/34/63/923673463.db2.gz XWCGSJQXGYNLEW-LLVKDONJSA-N 2 0 264.333 -0.819 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001550090890 923675255 /nfs/dbraw/zinc/67/52/55/923675255.db2.gz ZZDAIFMEMSFBFX-MJBXVCDLSA-N 2 0 297.399 -0.280 20 0 CBADRP CCC[C@H]([NH3+])C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550088494 923675383 /nfs/dbraw/zinc/67/53/83/923675383.db2.gz PUXAPKGCSOKIJI-QWRGUYRKSA-N 2 0 266.349 -0.444 20 0 CBADRP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001550090100 923675466 /nfs/dbraw/zinc/67/54/66/923675466.db2.gz TWQFOKIFDGAKQZ-MCIONIFRSA-N 2 0 297.399 -0.674 20 0 CBADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@]1(F)CC[NH2+]C1 ZINC001550088916 923675552 /nfs/dbraw/zinc/67/55/52/923675552.db2.gz XWISFDYUTRUVJP-PWSUYJOCSA-N 2 0 282.323 -0.870 20 0 CBADRP CC[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001550092476 923676004 /nfs/dbraw/zinc/67/60/04/923676004.db2.gz HAOFBHHULHOIHH-NEPJUHHUSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](n3cc(C[NH3+])nn3)C2)CC[N@@H+]1C ZINC001550096572 923677467 /nfs/dbraw/zinc/67/74/67/923677467.db2.gz LISYPGKNFMCJFW-RAIGVLPGSA-N 2 0 292.387 -0.150 20 0 CBADRP C[C@H](C[NH3+])C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001550092833 923678289 /nfs/dbraw/zinc/67/82/89/923678289.db2.gz OOQWGXGSWJWKBF-ZYHUDNBSSA-N 2 0 282.388 -0.608 20 0 CBADRP CC(C)[NH2+]CC(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001550096597 923679784 /nfs/dbraw/zinc/67/97/84/923679784.db2.gz MRMCOJBLWOGKFZ-NSHDSACASA-N 2 0 266.349 -0.492 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001550093145 923680014 /nfs/dbraw/zinc/68/00/14/923680014.db2.gz XPNUPIBGYDJKLV-AAEUAGOBSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH+](C)CC(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001550096245 923680281 /nfs/dbraw/zinc/68/02/81/923680281.db2.gz HYQLYXAHYCKIPB-SNVBAGLBSA-N 2 0 252.322 -0.928 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001550097058 923681358 /nfs/dbraw/zinc/68/13/58/923681358.db2.gz XSKDHXQSVZGLOY-GHMZBOCLSA-N 2 0 266.349 -0.492 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001550096995 923681599 /nfs/dbraw/zinc/68/15/99/923681599.db2.gz WPQGRGZRACTPHA-JLLWLGSASA-N 2 0 278.360 -0.634 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC[C@H]21 ZINC001550103516 923683226 /nfs/dbraw/zinc/68/32/26/923683226.db2.gz CNVBULBQRGMPRP-NOOOWODRSA-N 2 0 253.346 -0.738 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@H]1C(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550104021 923684205 /nfs/dbraw/zinc/68/42/05/923684205.db2.gz CERKAKRVQZJBTR-CCCUQBDLSA-N 2 0 267.373 -0.003 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001550107823 923685825 /nfs/dbraw/zinc/68/58/25/923685825.db2.gz MQDYSBKDZFXELS-SRVKXCTJSA-N 2 0 280.372 -0.793 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]1C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001550114047 923686933 /nfs/dbraw/zinc/68/69/33/923686933.db2.gz HDBSNSHWBKVOMR-BFHYXJOUSA-N 2 0 275.352 -0.067 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550112723 923687025 /nfs/dbraw/zinc/68/70/25/923687025.db2.gz WLLSTDIMNWVHKL-UPJWGTAASA-N 2 0 297.399 -0.375 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])[C@@H](c2ccc(OC)cc2)C1 ZINC001550114161 923687716 /nfs/dbraw/zinc/68/77/16/923687716.db2.gz VQJIKQDVLFGXNM-RDBSUJKOSA-N 2 0 293.367 -0.078 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550116805 923688802 /nfs/dbraw/zinc/68/88/02/923688802.db2.gz RVRWNAJCLNXCEE-STQMWFEESA-N 2 0 268.405 -0.182 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550117073 923688828 /nfs/dbraw/zinc/68/88/28/923688828.db2.gz UMEVUMYVLDSXHJ-OLZOCXBDSA-N 2 0 268.405 -0.038 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@]34CC[NH2+]C4)C2)CC1 ZINC001550117103 923688873 /nfs/dbraw/zinc/68/88/73/923688873.db2.gz UZFLPTXNJQRROJ-YCPHGPKFSA-N 2 0 292.427 -0.166 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550116814 923689811 /nfs/dbraw/zinc/68/98/11/923689811.db2.gz RYBGTPAGCNGPOI-OLZOCXBDSA-N 2 0 268.405 -0.167 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550117273 923690279 /nfs/dbraw/zinc/69/02/79/923690279.db2.gz XRTBVINUVAUZOS-NWDGAFQWSA-N 2 0 254.378 -0.557 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001550117187 923690485 /nfs/dbraw/zinc/69/04/85/923690485.db2.gz OFOXRKGBHOFVHK-NOHGZBONSA-N 2 0 253.346 -0.249 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)[C@@]3(C)CCC[NH2+]3)C2)CC1 ZINC001550117417 923690644 /nfs/dbraw/zinc/69/06/44/923690644.db2.gz ZXRNTNLDAWDPIP-DZGCQCFKSA-N 2 0 280.416 -0.023 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550117163 923690734 /nfs/dbraw/zinc/69/07/34/923690734.db2.gz WQHGKVQGAURSNC-NEPJUHHUSA-N 2 0 254.378 -0.428 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC23CC(C[NH3+])(C2)C3)CC1 ZINC001550118706 923691140 /nfs/dbraw/zinc/69/11/40/923691140.db2.gz HSHFBAQUUXKFPQ-UHFFFAOYSA-N 2 0 266.389 -0.379 20 0 CBADRP COC[C@@]1(C(=O)NC23CC(C[NH3+])(C2)C3)CCC[NH2+]1 ZINC001550119276 923691529 /nfs/dbraw/zinc/69/15/29/923691529.db2.gz YBDFLXZPOQBJFB-WXRRBKDZSA-N 2 0 253.346 -0.247 20 0 CBADRP Cn1cc([C@@H]2CN(C[C@@H]3C[C@H](F)C[NH2+]3)C[C@@H]2[NH3+])cn1 ZINC001550175729 923704385 /nfs/dbraw/zinc/70/43/85/923704385.db2.gz YRBMDLKBBARAQH-CYDGBPFRSA-N 2 0 267.352 -0.153 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001550183995 923706761 /nfs/dbraw/zinc/70/67/61/923706761.db2.gz PPDNBOCCNCTHLW-YNEHKIRRSA-N 2 0 285.388 -0.295 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC001550184543 923707041 /nfs/dbraw/zinc/70/70/41/923707041.db2.gz FBMGILUVHZCIFI-QNWHQSFQSA-N 2 0 285.388 -0.153 20 0 CBADRP COc1ccc([C@@H]2CN(C(=O)[C@@H](C[NH3+])OC)C[C@H]2[NH3+])cc1 ZINC001550189906 923708043 /nfs/dbraw/zinc/70/80/43/923708043.db2.gz XHCLEDFJXVZARM-BFHYXJOUSA-N 2 0 293.367 -0.078 20 0 CBADRP [NH3+][C@H]1COCCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC001550273796 923712351 /nfs/dbraw/zinc/71/23/51/923712351.db2.gz YJGRFONDYWVIRT-GHMZBOCLSA-N 2 0 268.361 -0.360 20 0 CBADRP N[C@H]1CN(C(=O)NCc2cccc3c2CC[NH2+]C3)C[C@@H]1[NH3+] ZINC001550272408 923712373 /nfs/dbraw/zinc/71/23/73/923712373.db2.gz PCITUJXXUPOJNO-KBPBESRZSA-N 2 0 289.383 -0.488 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001550230161 923712636 /nfs/dbraw/zinc/71/26/36/923712636.db2.gz ADVJGOHCPBYSMI-OAHLLOKOSA-N 2 0 280.416 -0.116 20 0 CBADRP C[C@@]12C[NH2+]C[C@H]1CN(C(=O)NCC13CC(C1)C[NH2+]3)C2 ZINC001550269224 923713849 /nfs/dbraw/zinc/71/38/49/923713849.db2.gz WBYWPBPBQNFHJS-QGPNDVEFSA-N 2 0 264.373 -0.011 20 0 CBADRP [NH3+][C@H]1COCCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC001550273797 923714176 /nfs/dbraw/zinc/71/41/76/923714176.db2.gz YJGRFONDYWVIRT-MNOVXSKESA-N 2 0 268.361 -0.360 20 0 CBADRP O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H]1C[NH2+]CCO1 ZINC001550277460 923716083 /nfs/dbraw/zinc/71/60/83/923716083.db2.gz LRKLMJVQWPKVQS-WVMKXHBISA-N 2 0 282.388 -0.195 20 0 CBADRP CN1CCN(CC(=O)N2C[C@H]3CC[N@H+](C)C[C@@H]3C2)CC1 ZINC001550320532 923716855 /nfs/dbraw/zinc/71/68/55/923716855.db2.gz HDLRAZAQIMKFTC-ZIAGYGMSSA-N 2 0 280.416 -0.356 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001550349315 923719712 /nfs/dbraw/zinc/71/97/12/923719712.db2.gz MSZLUEVWXZJJNF-MCIONIFRSA-N 3 0 252.406 -0.179 20 0 CBADRP CC(C)(C)[NH2+]CC(=O)NCCN1CCC2(C1)OCCO2 ZINC001550401184 923727533 /nfs/dbraw/zinc/72/75/33/923727533.db2.gz BMRBMUBZPHVPPJ-UHFFFAOYSA-N 2 0 285.388 -0.061 20 0 CBADRP C[C@]12C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]1C[C@H]3OCC[C@H]3[NH2+]1)C2 ZINC001550723346 923737724 /nfs/dbraw/zinc/73/77/24/923737724.db2.gz HGIJVMWRLBNTRV-BUONHZGMSA-N 2 0 279.384 -0.036 20 0 CBADRP C[C@]12C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]1C[C@@H]3OCC[C@@H]3[NH2+]1)C2 ZINC001550723366 923737768 /nfs/dbraw/zinc/73/77/68/923737768.db2.gz HGIJVMWRLBNTRV-JQPXUNLUSA-N 2 0 279.384 -0.036 20 0 CBADRP COCCN1C(=O)N[C@@H]2C[N@@H+](CC3CC([NH3+])C3)CC[C@H]21 ZINC001550704901 923738549 /nfs/dbraw/zinc/73/85/49/923738549.db2.gz PGWDGRUCOIYRMV-FIYWTHMPSA-N 2 0 282.388 -0.162 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC001550720659 923739020 /nfs/dbraw/zinc/73/90/20/923739020.db2.gz LFAYYBLVKBYQFL-ZJQBRPOHSA-N 2 0 265.357 -0.140 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@]12CCC[C@H]1C[NH2+]C2 ZINC001550733511 923740455 /nfs/dbraw/zinc/74/04/55/923740455.db2.gz WFNUTQRCNNFHRN-SGMGOOAPSA-N 2 0 282.388 -0.194 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC001550731463 923741040 /nfs/dbraw/zinc/74/10/40/923741040.db2.gz MOHJVFLDXLZRMY-NWDGAFQWSA-N 2 0 270.377 -0.255 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001550729856 923741054 /nfs/dbraw/zinc/74/10/54/923741054.db2.gz BEISHSALCAXMHO-RWMBFGLXSA-N 2 0 282.388 -0.242 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC001550731185 923741285 /nfs/dbraw/zinc/74/12/85/923741285.db2.gz LEWARLZMKNKJLJ-QJPTWQEYSA-N 2 0 270.377 -0.209 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[C@H]1C[NH3+] ZINC001550731043 923741402 /nfs/dbraw/zinc/74/14/02/923741402.db2.gz LDWWLGINIUKGPR-AGIUHOORSA-N 2 0 284.404 -0.009 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)C[C@@H]1[NH3+] ZINC001550731763 923741470 /nfs/dbraw/zinc/74/14/70/923741470.db2.gz NYKHBJZFRIUFPR-MXWKQRLJSA-N 2 0 256.350 -0.647 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001550725125 923741941 /nfs/dbraw/zinc/74/19/41/923741941.db2.gz ZSNKODSDTIKLNO-KQLNHAPESA-N 2 0 251.330 -0.545 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CCNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001550733882 923743369 /nfs/dbraw/zinc/74/33/69/923743369.db2.gz XMEYIKTZNQNWQD-AGIUHOORSA-N 2 0 284.404 -0.090 20 0 CBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N2CC[NH2+]C[C@@H](O)C2)C1 ZINC001550748813 923746064 /nfs/dbraw/zinc/74/60/64/923746064.db2.gz VMWPSYNBSGDMSF-NWDGAFQWSA-N 2 0 284.404 -0.260 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550754511 923747023 /nfs/dbraw/zinc/74/70/23/923747023.db2.gz AYCLAKBNFPVRIF-NWDGAFQWSA-N 2 0 282.388 -0.194 20 0 CBADRP O=C1CC[C@H](NC[C@@H]2CCC[NH2+]2)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550915078 923753725 /nfs/dbraw/zinc/75/37/25/923753725.db2.gz ZENUJLAHBXIMNE-KCQAQPDRSA-N 2 0 280.416 -0.025 20 0 CBADRP CCCNC(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550913913 923755378 /nfs/dbraw/zinc/75/53/78/923755378.db2.gz RDNFGORYAJADSH-IUODEOHRSA-N 2 0 296.415 -0.251 20 0 CBADRP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001550935061 923756723 /nfs/dbraw/zinc/75/67/23/923756723.db2.gz PBVJGFGIIXVVGZ-UPJWGTAASA-N 3 0 251.374 -0.094 20 0 CBADRP CNC(=O)[C@]12C[N@H+](CC(C)(C)[NH3+])C[C@H]1COCC2 ZINC001551408408 923777424 /nfs/dbraw/zinc/77/74/24/923777424.db2.gz KKBWGHYPCFPFBH-GXFFZTMASA-N 2 0 255.362 -0.192 20 0 CBADRP CNC(=O)[C@@]12C[N@H+](CC3CC([NH3+])C3)C[C@@H]1COCC2 ZINC001551412505 923779498 /nfs/dbraw/zinc/77/94/98/923779498.db2.gz VKXISGRNWQUHSL-QKVQEHJESA-N 2 0 267.373 -0.192 20 0 CBADRP [NH3+][C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C12CCOCC2 ZINC001551463510 923795699 /nfs/dbraw/zinc/79/56/99/923795699.db2.gz IGEVKIBBBSYGDM-YYHQMBLXSA-N 2 0 295.383 -0.482 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001551464909 923796392 /nfs/dbraw/zinc/79/63/92/923796392.db2.gz CAQLKVZHPYNHBU-STQMWFEESA-N 2 0 297.399 -0.279 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001551466338 923797878 /nfs/dbraw/zinc/79/78/78/923797878.db2.gz SLRDXRKOMCTKJI-BNDIWNMDSA-N 2 0 265.357 -0.426 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](C(=O)N2CC[NH2+]CCC23CCOCC3)O1 ZINC001551467697 923798077 /nfs/dbraw/zinc/79/80/77/923798077.db2.gz LUJVSZQFDHCNKT-STQMWFEESA-N 2 0 297.399 -0.266 20 0 CBADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)N1CC[NH2+]C[C@@H](O)C1 ZINC001551485280 923798394 /nfs/dbraw/zinc/79/83/94/923798394.db2.gz DIYNPOZSZXZESQ-MRVWCRGKSA-N 2 0 290.367 -0.413 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)NC1CC2(C[C@H]2[NH3+])C1 ZINC001551567211 923802326 /nfs/dbraw/zinc/80/23/26/923802326.db2.gz JIWWKDAALOWDNW-PCQVFGIUSA-N 2 0 268.361 -0.504 20 0 CBADRP CN1CCN(C(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)[C@@H](C[NH3+])C1 ZINC001551569988 923803753 /nfs/dbraw/zinc/80/37/53/923803753.db2.gz NHOXLUMLAAFHJO-FMPXUHTOSA-N 2 0 295.431 -0.069 20 0 CBADRP [NH3+][C@@H]1CC12CC(NC(=O)N1C[C@@H]3CC[C@@]3([NH3+])C1)C2 ZINC001551569392 923803896 /nfs/dbraw/zinc/80/38/96/923803896.db2.gz OTAANKGTSYNWCD-VOMGHAKVSA-N 2 0 250.346 -0.001 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC3(C[C@H]3[NH3+])C2)[C@H](C)C1 ZINC001551581714 923804733 /nfs/dbraw/zinc/80/47/33/923804733.db2.gz OVBSZFSFXFGJDO-CZAVRGAYSA-N 2 0 296.415 -0.037 20 0 CBADRP [NH3+][C@H]1CC12CCC(NC(=O)NCCN1CC[NH2+]CC1)CC2 ZINC001551571698 923805925 /nfs/dbraw/zinc/80/59/25/923805925.db2.gz RNHZVCDWTVKNNU-OWYJLGKBSA-N 2 0 295.431 -0.149 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC3(C[C@H]3[NH3+])C2)C[C@@H]1C ZINC001551590977 923807585 /nfs/dbraw/zinc/80/75/85/923807585.db2.gz OCNIXVGSARQDPO-TZUXDYLNSA-N 2 0 296.415 -0.037 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[C@H]2C[NH2+]C[C@@H]21 ZINC001552086140 923825637 /nfs/dbraw/zinc/82/56/37/923825637.db2.gz FLVQUWLOQUEYDW-UMNHJUIQSA-N 2 0 276.344 -0.754 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)NCC3([NH3+])CCC3)C[C@@H]2[NH3+])cn1 ZINC001552107277 923833388 /nfs/dbraw/zinc/83/33/88/923833388.db2.gz KWKUFLMGYRPXPX-RYUDHWBXSA-N 2 0 292.387 -0.262 20 0 CBADRP C[C@H](CNC(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1)[NH+](C)C ZINC001552107247 923834922 /nfs/dbraw/zinc/83/49/22/923834922.db2.gz KPBAQIOGAYUGCS-RTXFEEFZSA-N 2 0 294.403 -0.194 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552161151 923838939 /nfs/dbraw/zinc/83/89/39/923838939.db2.gz UABZDEXRLNIYCJ-IVZWLZJFSA-N 2 0 266.349 -0.332 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H](C[NH3+])C2CC2)cnn1C ZINC001552161290 923839036 /nfs/dbraw/zinc/83/90/36/923839036.db2.gz MHXOUOLAHIXIOF-IHRRRGAJSA-N 2 0 291.399 -0.115 20 0 CBADRP CC(C)([NH3+])CNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552161020 923839624 /nfs/dbraw/zinc/83/96/24/923839624.db2.gz KKTSTJWSBDCBGF-QMMMGPOBSA-N 2 0 252.322 -0.720 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H](C)C[NH3+])cnn1C ZINC001552161287 923839823 /nfs/dbraw/zinc/83/98/23/923839823.db2.gz LMCRPNNGSDNVGV-ICCXJUOJSA-N 2 0 279.388 -0.257 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001552159226 923839928 /nfs/dbraw/zinc/83/99/28/923839928.db2.gz VPRNOZYJGDJOOJ-AVGNSLFASA-N 2 0 267.373 -0.273 20 0 CBADRP C[NH2+]CCN(C)C(=O)[C@H]1C[NH2+]C[C@H]1c1cnn(C)c1C ZINC001552160757 923839968 /nfs/dbraw/zinc/83/99/68/923839968.db2.gz HFHWQHNWUISZFD-STQMWFEESA-N 2 0 279.388 -0.291 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552160766 923840477 /nfs/dbraw/zinc/84/04/77/923840477.db2.gz JDDVAJDAJCXRHB-ZJUUUORDSA-N 2 0 264.333 -0.624 20 0 CBADRP [NH3+]C[C@H](NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)C1CC1 ZINC001552161619 923840580 /nfs/dbraw/zinc/84/05/80/923840580.db2.gz PXKOWFOIMQWVEJ-ZJUUUORDSA-N 2 0 264.333 -0.720 20 0 CBADRP C[NH2+]CC1CCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC001552163498 923841561 /nfs/dbraw/zinc/84/15/61/923841561.db2.gz RFYPACYDVMWFCI-LBPRGKRZSA-N 2 0 292.387 -0.116 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CC[C@@H](C[NH3+])C2)cnn1C ZINC001552163334 923841781 /nfs/dbraw/zinc/84/17/81/923841781.db2.gz NTBHXQBRMSMPON-UBHSHLNASA-N 2 0 291.399 -0.161 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NCC[C@@H](C)[NH3+])cnn1C ZINC001552163700 923842499 /nfs/dbraw/zinc/84/24/99/923842499.db2.gz UFJMUFQDAILXJK-JIMOISOXSA-N 2 0 279.388 -0.115 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC[NH2+]1 ZINC001552163168 923842833 /nfs/dbraw/zinc/84/28/33/923842833.db2.gz XHWAUGFCTWGTPL-NXEZZACHSA-N 2 0 264.333 -0.754 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552164056 923842862 /nfs/dbraw/zinc/84/28/62/923842862.db2.gz MBFRNNQILITSLL-GUBZILKMSA-N 2 0 282.323 -0.758 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001552163846 923843105 /nfs/dbraw/zinc/84/31/05/923843105.db2.gz KAQHWSQWVWYYBE-IJLUTSLNSA-N 2 0 290.371 -0.364 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C1CCN(C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC001552164183 923843857 /nfs/dbraw/zinc/84/38/57/923843857.db2.gz PEWUHEIYFJTMSS-BFHYXJOUSA-N 2 0 297.399 -0.423 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)[C@H]1C[NH2+]C[C@H]1c1cnn(C)c1C ZINC001552164099 923844978 /nfs/dbraw/zinc/84/49/78/923844978.db2.gz NAAWIQLRNNSNDL-ICCXJUOJSA-N 2 0 279.388 -0.244 20 0 CBADRP C[NH2+][C@@H](C)CNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552164405 923845578 /nfs/dbraw/zinc/84/55/78/923845578.db2.gz SZOFGFVPZQCPBM-IUCAKERBSA-N 2 0 252.322 -0.850 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552194064 923847175 /nfs/dbraw/zinc/84/71/75/923847175.db2.gz JVHQTSBCCVNLQX-SUHUHFCYSA-N 2 0 267.373 -0.192 20 0 CBADRP C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1COC2)[C@@H]1CCC[NH2+]C1 ZINC001552194648 923848391 /nfs/dbraw/zinc/84/83/91/923848391.db2.gz OFMCGVVPPRXSEP-SFTQSGBHSA-N 2 0 267.373 -0.273 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC001552194517 923848576 /nfs/dbraw/zinc/84/85/76/923848576.db2.gz MFQPQKTZESOHBD-CHWSQXEVSA-N 2 0 296.415 -0.310 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552195265 923848599 /nfs/dbraw/zinc/84/85/99/923848599.db2.gz YEARYXKOPORPAZ-LOWVWBTDSA-N 2 0 253.346 -0.710 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC[C@H]1[NH3+] ZINC001552195503 923849543 /nfs/dbraw/zinc/84/95/43/923849543.db2.gz YXXIWERYDHVFIP-UZWSLXQKSA-N 2 0 253.346 -0.582 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552195494 923850547 /nfs/dbraw/zinc/85/05/47/923850547.db2.gz YJRSCJGJSHHBLL-ZWNOBZJWSA-N 2 0 255.362 -0.144 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552199714 923854713 /nfs/dbraw/zinc/85/47/13/923854713.db2.gz GQMJODHPDIPOPW-NTZNESFSSA-N 2 0 253.346 -0.710 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2)C1CC1 ZINC001552200332 923855557 /nfs/dbraw/zinc/85/55/57/923855557.db2.gz PPESIBRSYKHGDJ-YRGRVCCFSA-N 2 0 267.373 -0.321 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552199817 923855989 /nfs/dbraw/zinc/85/59/89/923855989.db2.gz KKDOLEMWRPXEGE-RISCZKNCSA-N 2 0 267.373 -0.177 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552200453 923856203 /nfs/dbraw/zinc/85/62/03/923856203.db2.gz CLKDGBLJAFYSMI-JTNHKYCSSA-N 2 0 265.357 -0.425 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC[N@@H+]1C ZINC001552201756 923860266 /nfs/dbraw/zinc/86/02/66/923860266.db2.gz WWNLOMZPAOWVRQ-GFQSEFKGSA-N 2 0 267.373 -0.179 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1COC2)C(F)F ZINC001552202966 923861741 /nfs/dbraw/zinc/86/17/41/923861741.db2.gz BCGVUJUATMSLGW-VHSKPIJISA-N 2 0 263.288 -0.679 20 0 CBADRP CC1(C)C[NH2+][C@@H]1CNC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552202770 923862500 /nfs/dbraw/zinc/86/25/00/923862500.db2.gz ONZUACLDQRGXFW-BREBYQMCSA-N 2 0 253.346 -0.663 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552201999 923862831 /nfs/dbraw/zinc/86/28/31/923862831.db2.gz ZCODSBHEOOEZBL-YRGRVCCFSA-N 2 0 267.373 -0.320 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552202567 923863159 /nfs/dbraw/zinc/86/31/59/923863159.db2.gz KBIDSSKIASATNS-RAIGVLPGSA-N 2 0 253.346 -0.580 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552202777 923863789 /nfs/dbraw/zinc/86/37/89/923863789.db2.gz ORMYZWRKOJGASK-SRRSOLGSSA-N 2 0 253.346 -0.582 20 0 CBADRP O=C(NCCC1CC[NH2+]CC1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552204724 923865133 /nfs/dbraw/zinc/86/51/33/923865133.db2.gz UPAPXBKVRRYDKJ-OCCSQVGLSA-N 2 0 267.373 -0.272 20 0 CBADRP O=C([C@@H]1CCC[NH2+]CC1)N1CCO[C@H]2C[NH2+]C[C@@H]21 ZINC001552203596 923865203 /nfs/dbraw/zinc/86/52/03/923865203.db2.gz DSEJUBDKAJWTIV-WOPDTQHZSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552204011 923865401 /nfs/dbraw/zinc/86/54/01/923865401.db2.gz MYAYBHQUXQKZGQ-MPPDQPJWSA-N 2 0 253.346 -0.534 20 0 CBADRP O=C(NCCC1CC[NH2+]CC1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552204723 923866395 /nfs/dbraw/zinc/86/63/95/923866395.db2.gz UPAPXBKVRRYDKJ-GXTWGEPZSA-N 2 0 267.373 -0.272 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCOC2)C[C@@H]1C[NH3+] ZINC001552203707 923866530 /nfs/dbraw/zinc/86/65/30/923866530.db2.gz JKODAMAZBSCAJC-SDDRHHMPSA-N 2 0 271.361 -0.955 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552218349 923870401 /nfs/dbraw/zinc/87/04/01/923870401.db2.gz PMCLDJWMORBOCY-VIFPVBQESA-N 2 0 266.349 -0.378 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]CC2)C[C@H]1n1ccnn1 ZINC001552254846 923873756 /nfs/dbraw/zinc/87/37/56/923873756.db2.gz BITZWNSDBUSBBR-IJLUTSLNSA-N 2 0 278.360 -0.622 20 0 CBADRP [NH3+][C@@H]1COCCN(C(=O)[C@@H]2C[C@@H]2C2CC[NH2+]CC2)C1 ZINC001552260183 923874496 /nfs/dbraw/zinc/87/44/96/923874496.db2.gz BSPDXFNLARHMDS-YNEHKIRRSA-N 2 0 267.373 -0.192 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001552246872 923874845 /nfs/dbraw/zinc/87/48/45/923874845.db2.gz PTDZRMJHNQRVBW-RDBSUJKOSA-N 2 0 295.431 -0.184 20 0 CBADRP O=C(N[C@H]1CCCC[NH2+]CC1)[C@H]1C[NH2+]CCOC1 ZINC001552274341 923876377 /nfs/dbraw/zinc/87/63/77/923876377.db2.gz MHJGCWFXZHYQGH-RYUDHWBXSA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C[C@@H]1C[NH3+] ZINC001552275010 923876461 /nfs/dbraw/zinc/87/64/61/923876461.db2.gz UBMOLHXHXIIWTE-XZUYRWCXSA-N 2 0 253.346 -0.724 20 0 CBADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NCC2CC([NH3+])C2)cnn1C ZINC001552273449 923876471 /nfs/dbraw/zinc/87/64/71/923876471.db2.gz PUVBOMZUNZRNON-QUINOFQRSA-N 2 0 291.399 -0.115 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552274170 923876751 /nfs/dbraw/zinc/87/67/51/923876751.db2.gz HZEWYNDYMJIDIF-UZRPSVAASA-N 2 0 265.357 -0.295 20 0 CBADRP [NH3+]CC1CCC(NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552274176 923877213 /nfs/dbraw/zinc/87/72/13/923877213.db2.gz IFENRWVZYBAZFV-BOLFBJMRSA-N 2 0 267.373 -0.144 20 0 CBADRP [NH3+][C@@H]1COCC[C@@H]1NC(=O)[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001552272723 923878075 /nfs/dbraw/zinc/87/80/75/923878075.db2.gz DHBMKZDCTWVMFF-RVMXOQNASA-N 2 0 267.373 -0.146 20 0 CBADRP N[C@@H]1CN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C[C@@H]1[NH3+] ZINC001552282194 923879760 /nfs/dbraw/zinc/87/97/60/923879760.db2.gz HYSYBOZDKBWUDW-VNHYZAJKSA-N 2 0 274.368 -0.586 20 0 CBADRP CCC1([NH3+])CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552283900 923879880 /nfs/dbraw/zinc/87/98/80/923879880.db2.gz VIZQEWQDCMPTPA-BXUZGUMPSA-N 2 0 267.373 -0.048 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H]2CC[NH2+][C@H]2C)cnn1C ZINC001552277280 923880074 /nfs/dbraw/zinc/88/00/74/923880074.db2.gz XUCJYUNLOVANPJ-NZPIUUIZSA-N 2 0 291.399 -0.102 20 0 CBADRP Nc1cc[nH+]c(CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)c1 ZINC001552284774 923883651 /nfs/dbraw/zinc/88/36/51/923883651.db2.gz OPGIQKHSOXHPJT-RNCFNFMXSA-N 2 0 262.313 -0.484 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001552336771 923886003 /nfs/dbraw/zinc/88/60/03/923886003.db2.gz DGMYDLIYTKXTOG-JHJVBQTASA-N 2 0 281.404 -0.717 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)N[C@@H]3C[NH2+]C[C@@H]3F)C[C@H]2[NH3+])cn1 ZINC001552349570 923887833 /nfs/dbraw/zinc/88/78/33/923887833.db2.gz HOFZIUCJOAFOLN-NNYUYHANSA-N 2 0 296.350 -0.834 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001552338807 923888168 /nfs/dbraw/zinc/88/81/68/923888168.db2.gz KGNPQIXESKGAIY-MGAJPHDKSA-N 2 0 292.387 -0.536 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2[C@H]3CCCC[NH2+][C@H]32)CCCO1 ZINC001552344533 923888178 /nfs/dbraw/zinc/88/81/78/923888178.db2.gz JQTQYOXWVPUTMS-YVECIDJPSA-N 2 0 282.388 -0.114 20 0 CBADRP [NH3+]C1CC(CCNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC001552348172 923888390 /nfs/dbraw/zinc/88/83/90/923888390.db2.gz SZYYGSLQAXRTTC-JXQTWKCFSA-N 2 0 295.431 -0.197 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC001552418298 923895380 /nfs/dbraw/zinc/89/53/80/923895380.db2.gz LGFVPFOAVOXZTP-QWRGUYRKSA-N 2 0 278.360 -0.234 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH2+]C2)C1 ZINC001552418875 923895754 /nfs/dbraw/zinc/89/57/54/923895754.db2.gz AGJMKYOXGQCQNZ-QWHCGFSZSA-N 2 0 296.415 -0.310 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001552419220 923895932 /nfs/dbraw/zinc/89/59/32/923895932.db2.gz PDCGUXMDPUHILZ-QWRGUYRKSA-N 2 0 278.360 -0.316 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001552419213 923896052 /nfs/dbraw/zinc/89/60/52/923896052.db2.gz PAYXSZCXZFATLM-NSHDSACASA-N 2 0 292.387 -0.878 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC001552418302 923896401 /nfs/dbraw/zinc/89/64/01/923896401.db2.gz LGFVPFOAVOXZTP-WDEREUQCSA-N 2 0 278.360 -0.234 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001552419215 923896758 /nfs/dbraw/zinc/89/67/58/923896758.db2.gz PDCGUXMDPUHILZ-GHMZBOCLSA-N 2 0 278.360 -0.316 20 0 CBADRP Cc1c(C(=O)N2CCC[C@@H](C[NH3+])C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552418657 923897381 /nfs/dbraw/zinc/89/73/81/923897381.db2.gz JUWGNKYKCBWDSE-NWDGAFQWSA-N 2 0 292.387 -0.068 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C ZINC001552420215 923898397 /nfs/dbraw/zinc/89/83/97/923898397.db2.gz GHQJHBSIEFZQGE-NWDGAFQWSA-N 2 0 292.387 -0.055 20 0 CBADRP Cc1c(C(=O)N(C)[C@@H]2CC[NH2+]C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552420579 923899017 /nfs/dbraw/zinc/89/90/17/923899017.db2.gz UMWMHCKTPJNOIK-MNOVXSKESA-N 2 0 278.360 -0.445 20 0 CBADRP Cc1c(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552420776 923899081 /nfs/dbraw/zinc/89/90/81/923899081.db2.gz QMKCIJVPAMFTCR-WCQGTBRESA-N 2 0 292.387 -0.070 20 0 CBADRP O=C(NC[C@H]1CC[NH2+]C1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001552436589 923903288 /nfs/dbraw/zinc/90/32/88/923903288.db2.gz QUNIHJJDCUECCQ-NWDGAFQWSA-N 2 0 292.387 -0.068 20 0 CBADRP Cc1c(C(=O)NC[C@H](C)[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552436622 923903377 /nfs/dbraw/zinc/90/33/77/923903377.db2.gz BFHWMVZIMHHFTN-IONNQARKSA-N 2 0 252.322 -0.802 20 0 CBADRP [NH3+]C1(CNC(=O)c2cnnn2C2CC[NH2+]CC2)CCC1 ZINC001552436800 923903803 /nfs/dbraw/zinc/90/38/03/923903803.db2.gz RTFBZAUSMDIHMR-UHFFFAOYSA-N 2 0 278.360 -0.186 20 0 CBADRP Cc1c(C(=O)N2C[C@H](F)C[C@@H]2C[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552436820 923904948 /nfs/dbraw/zinc/90/49/48/923904948.db2.gz RZZPZQJRFSFKIV-OUAUKWLOSA-N 2 0 296.350 -0.368 20 0 CBADRP Cc1c(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552437208 923907234 /nfs/dbraw/zinc/90/72/34/923907234.db2.gz LGXBVYJKYNFION-TUAOUCFPSA-N 2 0 290.371 -0.588 20 0 CBADRP Cc1c(C(=O)N2CC[C@](C)(C[NH3+])C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552438017 923908238 /nfs/dbraw/zinc/90/82/38/923908238.db2.gz YLMWGRLIURTSLV-BXUZGUMPSA-N 2 0 292.387 -0.068 20 0 CBADRP Cc1c(C(=O)N[C@H](C)C[C@H](C)[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552442907 923909521 /nfs/dbraw/zinc/90/95/21/923909521.db2.gz VNXGJQLDKWSPCE-NGZCFLSTSA-N 2 0 280.376 -0.023 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C ZINC001552440536 923909581 /nfs/dbraw/zinc/90/95/81/923909581.db2.gz XPPVVCQCLBVBOV-WCBMZHEXSA-N 2 0 266.349 -0.541 20 0 CBADRP C[C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001552440537 923909764 /nfs/dbraw/zinc/90/97/64/923909764.db2.gz CNDKMQURANHJHU-ONGXEEELSA-N 2 0 278.360 -0.378 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001552443118 923909826 /nfs/dbraw/zinc/90/98/26/923909826.db2.gz ZMUNGKMKIJBJLX-ZJUUUORDSA-N 2 0 279.344 -0.795 20 0 CBADRP Cc1c(C(=O)N(C)[C@H](C[NH3+])C2CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552441716 923910103 /nfs/dbraw/zinc/91/01/03/923910103.db2.gz KAKKKNHIKRXZIZ-VXGBXAGGSA-N 2 0 292.387 -0.070 20 0 CBADRP Cc1c(C(=O)N(C)[C@H]2CC[N@H+](C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552440037 923910560 /nfs/dbraw/zinc/91/05/60/923910560.db2.gz IUWUXQXLDGQXRS-NEPJUHHUSA-N 2 0 292.387 -0.103 20 0 CBADRP Cc1c(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552442354 923910661 /nfs/dbraw/zinc/91/06/61/923910661.db2.gz PWBJZTSHWQBGOA-LSJOCFKGSA-N 2 0 278.360 -0.460 20 0 CBADRP Cc1c(C(=O)N2CC[C@H](F)[C@@H]([NH3+])C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552440183 923910686 /nfs/dbraw/zinc/91/06/86/923910686.db2.gz RUQQYILKVJEQQD-VWYCJHECSA-N 2 0 296.350 -0.368 20 0 CBADRP [NH3+]CCCNC(=O)c1cnc(C2CC[NH2+]CC2)[nH]1 ZINC001552685147 923913799 /nfs/dbraw/zinc/91/37/99/923913799.db2.gz IUPGWGKSWPHMBL-UHFFFAOYSA-N 2 0 251.334 -0.045 20 0 CBADRP [NH3+][C@@H]1COCCN(C(=O)c2c[nH]c(C3CC[NH2+]CC3)n2)C1 ZINC001552704253 923915546 /nfs/dbraw/zinc/91/55/46/923915546.db2.gz ONSCXJCNDPPGFQ-NSHDSACASA-N 2 0 293.371 -0.324 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)c1cnc(C2CC[NH2+]CC2)[nH]1 ZINC001552694978 923916087 /nfs/dbraw/zinc/91/60/87/923916087.db2.gz CKRZWKLPFALXIR-NSHDSACASA-N 2 0 293.371 -0.405 20 0 CBADRP [NH3+][C@@H]1CCCC[C@@H]1n1cc(C(=O)NCC2C[NH2+]C2)nn1 ZINC001552694517 923916917 /nfs/dbraw/zinc/91/69/17/923916917.db2.gz WKMGRZFSERFIIC-PWSUYJOCSA-N 2 0 278.360 -0.330 20 0 CBADRP CN1CCN(C(=O)[C@]23CCC[C@@H]2[NH2+]CC3)[C@@H](C[NH3+])C1 ZINC001552820739 923919460 /nfs/dbraw/zinc/91/94/60/923919460.db2.gz JFNCPVQYIKIWLJ-OBJOEFQTSA-N 2 0 266.389 -0.380 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001552808289 923919892 /nfs/dbraw/zinc/91/98/92/923919892.db2.gz ZNZQNDXBBJFWCB-UONOGXRCSA-N 2 0 297.447 -0.032 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@]34CCC[C@@H]3[NH2+]CC4)CCN2C1=O ZINC001552842667 923920157 /nfs/dbraw/zinc/92/01/57/923920157.db2.gz AIRMOCPDJIEHDC-MCYUEQNJSA-N 2 0 292.383 -0.711 20 0 CBADRP C[C@H]([NH3+])CNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC001552837547 923920186 /nfs/dbraw/zinc/92/01/86/923920186.db2.gz ICNVSDQLILBLCK-NKWVEPMBSA-N 2 0 288.302 -0.173 20 0 CBADRP CN(CC[NH3+])C(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC001552842010 923920656 /nfs/dbraw/zinc/92/06/56/923920656.db2.gz BQXWHKYEQGUOHT-SSDOTTSWSA-N 2 0 288.302 -0.219 20 0 CBADRP [NH3+][C@@H]1COCC[C@@H]1NC(=O)[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001552854514 923922643 /nfs/dbraw/zinc/92/26/43/923922643.db2.gz PTGZFBJCBXRYPB-LSCVPOLPSA-N 2 0 253.346 -0.249 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N3C[C@H](N)[C@@H]([NH3+])C3)CC[C@H]21 ZINC001552961114 923926854 /nfs/dbraw/zinc/92/68/54/923926854.db2.gz RKUFTTQVYJVHKC-NOOOWODRSA-N 2 0 267.377 -0.897 20 0 CBADRP N[C@H]1CN(C(=O)N2CC[NH2+]CCC23CCC3)C[C@@H]1[NH3+] ZINC001552959892 923927397 /nfs/dbraw/zinc/92/73/97/923927397.db2.gz HEAPASDRDITVQL-QWRGUYRKSA-N 2 0 267.377 -0.705 20 0 CBADRP N[C@@H]1CN(C(=O)N[C@H]2CCCCC23CC[NH2+]CC3)C[C@H]1[NH3+] ZINC001552959911 923927702 /nfs/dbraw/zinc/92/77/02/923927702.db2.gz IAZGBWVJKLMBAG-UPJWGTAASA-N 2 0 295.431 -0.021 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001552954577 923928071 /nfs/dbraw/zinc/92/80/71/923928071.db2.gz LHMKKAUWMNXNOC-KGLIPLIRSA-N 2 0 295.431 -0.230 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001552959410 923928368 /nfs/dbraw/zinc/92/83/68/923928368.db2.gz WOFRIWGMBKDMJH-BFHYXJOUSA-N 2 0 295.431 -0.232 20 0 CBADRP N[C@@H]1CN(C(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)C[C@H]1[NH3+] ZINC001552959910 923928471 /nfs/dbraw/zinc/92/84/71/923928471.db2.gz IAZGBWVJKLMBAG-JHJVBQTASA-N 2 0 295.431 -0.021 20 0 CBADRP N[C@@H]1CN(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C[C@@H]1[NH3+] ZINC001552960431 923928877 /nfs/dbraw/zinc/92/88/77/923928877.db2.gz MTFHDVXUIWSXBO-MCIONIFRSA-N 2 0 295.431 -0.212 20 0 CBADRP [NH3+][C@H]1COCCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001553304304 923946232 /nfs/dbraw/zinc/94/62/32/923946232.db2.gz DHHNANOGNPNGJX-OLZOCXBDSA-N 2 0 269.389 -0.195 20 0 CBADRP [NH3+][C@@H]1COCCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001553304307 923947049 /nfs/dbraw/zinc/94/70/49/923947049.db2.gz DHHNANOGNPNGJX-QWHCGFSZSA-N 2 0 269.389 -0.195 20 0 CBADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC001553301497 923947963 /nfs/dbraw/zinc/94/79/63/923947963.db2.gz UINSXECSBRVXAF-CRWXNKLISA-N 2 0 267.373 -0.572 20 0 CBADRP CN1CC[C@@]2(C(=O)N3CCC([NH3+])CC3)C[NH2+]C[C@@H]2C1 ZINC001553345822 923950308 /nfs/dbraw/zinc/95/03/08/923950308.db2.gz XRTJHHHMSCMREV-BXUZGUMPSA-N 2 0 266.389 -0.523 20 0 CBADRP F[C@@H]1C[NH2+]C[C@@H]1NCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC001553317463 923950374 /nfs/dbraw/zinc/95/03/74/923950374.db2.gz ZAIZIUSRSXDORI-WCQGTBRESA-N 2 0 268.340 -0.398 20 0 CBADRP [NH3+][C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)C[C@@H]1n1ccnn1 ZINC001553305402 923950394 /nfs/dbraw/zinc/95/03/94/923950394.db2.gz UHZAKMMOLBUZJP-UPJWGTAASA-N 2 0 264.377 -0.148 20 0 CBADRP [NH3+]C1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCOC3)CC1 ZINC001553343163 923951324 /nfs/dbraw/zinc/95/13/24/923951324.db2.gz ICTBTRNIRREKNF-GXFFZTMASA-N 2 0 253.346 -0.438 20 0 CBADRP C[N@@H+]1CC[C@@]2(C(=O)NC3CCC([NH3+])CC3)C[NH2+]C[C@@H]2C1 ZINC001553351767 923953645 /nfs/dbraw/zinc/95/36/45/923953645.db2.gz BZHYACLZYCZVPD-XZNOPERXSA-N 3 0 280.416 -0.086 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@]12C[NH2+]C[C@@H]1CCOC2 ZINC001553354480 923955634 /nfs/dbraw/zinc/95/56/34/923955634.db2.gz LNJQEXHYZQBJOE-GMXVVIOVSA-N 2 0 253.346 -0.519 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2CN(C)CC3)C1 ZINC001553355974 923955704 /nfs/dbraw/zinc/95/57/04/923955704.db2.gz QLJGOHGIPDRWHR-GUTXKFCHSA-N 2 0 280.416 -0.262 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)c1csc(N2CC[NH2+]CC2)n1 ZINC001553354351 923956073 /nfs/dbraw/zinc/95/60/73/923956073.db2.gz IXFUJHWHOMYKQS-SECBINFHSA-N 2 0 283.401 -0.028 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CN(C)CC3)CC1 ZINC001553355661 923956117 /nfs/dbraw/zinc/95/61/17/923956117.db2.gz AKKJUYYCYUASSI-GOEBONIOSA-N 2 0 294.443 -0.014 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@]12C[NH2+]C[C@H]1COCC2 ZINC001553352896 923956232 /nfs/dbraw/zinc/95/62/32/923956232.db2.gz KFYJREVISPDASD-OBJOEFQTSA-N 2 0 267.373 -0.272 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NCC[C@H]3CC[NH2+]C3)C[NH2+]C[C@@H]2C1 ZINC001553352167 923956757 /nfs/dbraw/zinc/95/67/57/923956757.db2.gz GZAKOWSZSLAUJO-NFAWXSAZSA-N 3 0 280.416 -0.357 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CN(C)CC3)CC[NH2+]1 ZINC001553353524 923958109 /nfs/dbraw/zinc/95/81/09/923958109.db2.gz GAPFUADVAKGKSG-MBNYWOFBSA-N 2 0 266.389 -0.652 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@]12C[NH2+]C[C@H]1COCC2 ZINC001553355301 923958392 /nfs/dbraw/zinc/95/83/92/923958392.db2.gz PRENGRVPVNVNJF-GVXVVHGQSA-N 2 0 253.346 -0.519 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@]12C[NH2+]C[C@@H]1CN(C)CC2 ZINC001553358455 923959701 /nfs/dbraw/zinc/95/97/01/923959701.db2.gz HVKAFPSSTNUUMM-DOMZBBRYSA-N 2 0 282.432 -0.029 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]CC[C@@H]32)CCO1 ZINC001553356821 923959814 /nfs/dbraw/zinc/95/98/14/923959814.db2.gz AAJSEGULCRHDFE-HHHUOAJASA-N 2 0 253.346 -0.584 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2COCC3)C[C@@H](C)[NH2+]1 ZINC001553359420 923960767 /nfs/dbraw/zinc/96/07/67/923960767.db2.gz TZNDDKIZBQTCIY-BYNQJWBRSA-N 2 0 267.373 -0.179 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COCC3)CC1 ZINC001553356440 923960803 /nfs/dbraw/zinc/96/08/03/923960803.db2.gz FWFUMXZIRHJJLK-BXUZGUMPSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CN(C)CC3)CC[C@@H]1[NH3+] ZINC001553356687 923961941 /nfs/dbraw/zinc/96/19/41/923961941.db2.gz UIENCOURYIXOON-OSFYFWSMSA-N 2 0 280.416 -0.277 20 0 CBADRP CN(C(=O)[C@@]12C[NH2+]C[C@@H]1COCC2)[C@@H]1CC[NH2+]C1 ZINC001553359406 923962740 /nfs/dbraw/zinc/96/27/40/923962740.db2.gz SPPZAQSAYQXSJC-WZRBSPASSA-N 2 0 253.346 -0.567 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C[C@@H]([NH3+])[C@H]3C2)CCO1 ZINC001553360905 923964450 /nfs/dbraw/zinc/96/44/50/923964450.db2.gz WHVSENXMNXIMQW-NGFXDRFKSA-N 2 0 267.373 -0.066 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(C)CC3)CCO1 ZINC001553378588 923969109 /nfs/dbraw/zinc/96/91/09/923969109.db2.gz VHDXSVWVWHGTOU-BZPMIXESSA-N 2 0 267.373 -0.225 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CN(C)CC3)CCO1 ZINC001553378592 923969153 /nfs/dbraw/zinc/96/91/53/923969153.db2.gz VHDXSVWVWHGTOU-DYEKYZERSA-N 2 0 267.373 -0.225 20 0 CBADRP Cn1nccc1CNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553402127 923972057 /nfs/dbraw/zinc/97/20/57/923972057.db2.gz MFOSEFHTEDJSDG-RISCZKNCSA-N 2 0 277.372 -0.422 20 0 CBADRP Cn1cc(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)cn1 ZINC001553403423 923973720 /nfs/dbraw/zinc/97/37/20/923973720.db2.gz YWABFGDGPGKTEP-HIFRSBDPSA-N 2 0 291.399 -0.380 20 0 CBADRP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553403401 923974887 /nfs/dbraw/zinc/97/48/87/923974887.db2.gz YNEHRBFMURGQOX-AUHRRJPPSA-N 2 0 265.357 -0.095 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553402923 923974904 /nfs/dbraw/zinc/97/49/04/923974904.db2.gz UMLZCTTVIHUGOB-RNJOBUHISA-N 2 0 267.373 -0.036 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553403292 923975721 /nfs/dbraw/zinc/97/57/21/923975721.db2.gz XIGBHYXUURIIQL-GRYCIOLGSA-N 2 0 253.346 -0.284 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC001553404604 923977296 /nfs/dbraw/zinc/97/72/96/923977296.db2.gz AWUSKIYRIQOWQR-NDBYEHHHSA-N 2 0 265.357 -0.188 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC[C@H]1F ZINC001553406265 923979846 /nfs/dbraw/zinc/97/98/46/923979846.db2.gz DOMDQNZWQCCNCR-APLZJWDSSA-N 2 0 257.309 -0.597 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553406672 923980483 /nfs/dbraw/zinc/98/04/83/923980483.db2.gz GRWGWPOOAUDHNK-UTINFBMNSA-N 2 0 275.299 -0.381 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553407838 923980973 /nfs/dbraw/zinc/98/09/73/923980973.db2.gz HYRBDSISYHVODS-VOAKCMCISA-N 2 0 267.373 -0.036 20 0 CBADRP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553409745 923984043 /nfs/dbraw/zinc/98/40/43/923984043.db2.gz KECXLZXMMWPYBN-AVGNSLFASA-N 2 0 267.373 -0.036 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553409373 923984369 /nfs/dbraw/zinc/98/43/69/923984369.db2.gz JXKRXHUKBDYSDK-ZDEQEGDKSA-N 2 0 283.372 -0.657 20 0 CBADRP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553409742 923984408 /nfs/dbraw/zinc/98/44/08/923984408.db2.gz KECXLZXMMWPYBN-AGIUHOORSA-N 2 0 267.373 -0.036 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553411975 923986103 /nfs/dbraw/zinc/98/61/03/923986103.db2.gz SIZMMURCQZUPGY-MROQNXINSA-N 2 0 267.373 -0.036 20 0 CBADRP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553413845 923986702 /nfs/dbraw/zinc/98/67/02/923986702.db2.gz WEUIRHLOHRWAEF-WYUUTHIRSA-N 2 0 253.346 -0.332 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553411977 923986817 /nfs/dbraw/zinc/98/68/17/923986817.db2.gz SIZMMURCQZUPGY-NDBYEHHHSA-N 2 0 267.373 -0.036 20 0 CBADRP C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553414351 923987001 /nfs/dbraw/zinc/98/70/01/923987001.db2.gz ZYBCOWMXQXFLRF-SRVKXCTJSA-N 2 0 253.346 -0.284 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553412899 923987243 /nfs/dbraw/zinc/98/72/43/923987243.db2.gz VELZUMWHLGEDDC-UHFZAUJKSA-N 2 0 253.346 -0.238 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CCOCC1 ZINC001553413952 923987306 /nfs/dbraw/zinc/98/73/06/923987306.db2.gz REYVSPASYQPLIO-AGIUHOORSA-N 2 0 297.399 -0.267 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553411980 923987522 /nfs/dbraw/zinc/98/75/22/923987522.db2.gz SIZMMURCQZUPGY-VOAKCMCISA-N 2 0 267.373 -0.036 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553412298 923987907 /nfs/dbraw/zinc/98/79/07/923987907.db2.gz UHCLLSFUHWHWIK-WTPMCQDGSA-N 2 0 253.346 -0.380 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553410692 923988582 /nfs/dbraw/zinc/98/85/82/923988582.db2.gz QRDAKJOWCQMRBL-WISYIIOYSA-N 2 0 253.346 -0.426 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)C[C@H]12 ZINC001553414522 923991091 /nfs/dbraw/zinc/99/10/91/923991091.db2.gz XLLAPAUFWSQASZ-XARVFOJUSA-N 2 0 265.357 -0.299 20 0 CBADRP [NH3+]C1(CNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CCCC1 ZINC001553425703 923992098 /nfs/dbraw/zinc/99/20/98/923992098.db2.gz SSOSQNZOLFYASC-OUAUKWLOSA-N 2 0 253.346 -0.107 20 0 CBADRP CN(C(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)[C@H]1CC[N@H+](C)C1 ZINC001553422886 923993194 /nfs/dbraw/zinc/99/31/94/923993194.db2.gz MWMJSALUQRCJPB-USZNOCQGSA-N 2 0 253.346 -0.332 20 0 CBADRP [NH3+]C1(CNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CCCC1 ZINC001553425701 923993699 /nfs/dbraw/zinc/99/36/99/923993699.db2.gz SSOSQNZOLFYASC-DCAQKATOSA-N 2 0 253.346 -0.107 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553428227 923995052 /nfs/dbraw/zinc/99/50/52/923995052.db2.gz FZYVOXJFJCLTSM-JCIQBVFBSA-N 2 0 253.346 -0.523 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC[C@@H]1C[NH3+] ZINC001553433490 923998524 /nfs/dbraw/zinc/99/85/24/923998524.db2.gz SLICFUFPYGLENQ-BNDIWNMDSA-N 2 0 267.373 -0.051 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CCNC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553431978 923999005 /nfs/dbraw/zinc/99/90/05/923999005.db2.gz QMKKACZZSLHAMT-FHUSYTEZSA-N 2 0 267.373 -0.132 20 0 CBADRP [NH3+][C@]12CC[C@@H]1CN(C(=O)NC[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)C2 ZINC001553447657 924001231 /nfs/dbraw/zinc/00/12/31/924001231.db2.gz VRDQQFLBLQTPCH-BHPKHCPMSA-N 2 0 294.399 -0.018 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001553450167 924002687 /nfs/dbraw/zinc/00/26/87/924002687.db2.gz OTPFXAJXFCRGJF-DZGCQCFKSA-N 2 0 295.431 -0.230 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NCCN2CC[NH2+]CC2)CC12CCC2 ZINC001553489138 924007451 /nfs/dbraw/zinc/00/74/51/924007451.db2.gz CSQAZNQJXKCAGC-GFCCVEGCSA-N 2 0 281.404 -0.586 20 0 CBADRP [NH3+]C1(CNC(=O)N[C@H]2C[NH2+]CC23CCOCC3)CCC1 ZINC001553493613 924009461 /nfs/dbraw/zinc/00/94/61/924009461.db2.gz CLLGCVZNUDBNQZ-NSHDSACASA-N 2 0 282.388 -0.064 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+]C1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001553492819 924009807 /nfs/dbraw/zinc/00/98/07/924009807.db2.gz APLMOFXIZGWLCZ-HZSPNIEDSA-N 2 0 296.415 -0.164 20 0 CBADRP [NH3+]C[C@H](NC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2)C1CC1 ZINC001553495391 924010230 /nfs/dbraw/zinc/01/02/30/924010230.db2.gz FNSZORHFVDDSDF-RYUDHWBXSA-N 2 0 282.388 -0.127 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+]C1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553492834 924010424 /nfs/dbraw/zinc/01/04/24/924010424.db2.gz APLMOFXIZGWLCZ-RDBSUJKOSA-N 2 0 296.415 -0.164 20 0 CBADRP [NH3+][C@]12CC[C@@H]1CN(C(=O)NCCN1CC[NH2+]CC1)C2 ZINC001553491524 924010574 /nfs/dbraw/zinc/01/05/74/924010574.db2.gz LNLFUMZBOQQLDE-YPMHNXCESA-N 2 0 267.377 -0.976 20 0 CBADRP [NH3+]C[C@@H]1[C@H]2CN(C(=O)NC[C@@H]3CCCC[NH2+]3)C[C@H]21 ZINC001553495751 924010658 /nfs/dbraw/zinc/01/06/58/924010658.db2.gz YNTCIIBBJOUONV-FIQHERPVSA-N 2 0 252.362 -0.025 20 0 CBADRP [NH3+][C@]12CC[C@H]1CN(C(=O)NCCN1CC[NH2+]CC1)C2 ZINC001553491521 924011253 /nfs/dbraw/zinc/01/12/53/924011253.db2.gz LNLFUMZBOQQLDE-AAEUAGOBSA-N 2 0 267.377 -0.976 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)N[C@@H]3CCC[NH2+]C3)C[C@@H]2[NH3+])c1 ZINC001553497432 924011946 /nfs/dbraw/zinc/01/19/46/924011946.db2.gz PTCDIPFVHYACFX-UTUOFQBUSA-N 2 0 292.387 -0.392 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCO2)CC12CCC2 ZINC001553500785 924012200 /nfs/dbraw/zinc/01/22/00/924012200.db2.gz DWOHQBBVOBWRFF-GHMZBOCLSA-N 2 0 268.361 -0.502 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553499317 924012359 /nfs/dbraw/zinc/01/23/59/924012359.db2.gz ARHHYAKRLKFMNE-MNOVXSKESA-N 2 0 270.377 -0.127 20 0 CBADRP [NH3+]C[C@@H]1[C@H]2CN(C(=O)N[C@@H]3CCC[C@H]3C[NH3+])C[C@H]21 ZINC001553498869 924012493 /nfs/dbraw/zinc/01/24/93/924012493.db2.gz QSTAPUXMAJJLQC-KKJSVHSVSA-N 2 0 252.362 -0.040 20 0 CBADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553497325 924012814 /nfs/dbraw/zinc/01/28/14/924012814.db2.gz OZPDDRCLLXJPHE-NXEZZACHSA-N 2 0 256.350 -0.599 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553497858 924013127 /nfs/dbraw/zinc/01/31/27/924013127.db2.gz QZPHSBXNEOKHJE-GHMZBOCLSA-N 2 0 270.377 -0.351 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553498334 924013695 /nfs/dbraw/zinc/01/36/95/924013695.db2.gz TXRVQEFKUGCGBD-AGIUHOORSA-N 2 0 284.404 -0.036 20 0 CBADRP [NH3+][C@]12CC[C@H]1CN(C(=O)NC[C@@H]1C[NH2+]CCO1)C2 ZINC001553499981 924013905 /nfs/dbraw/zinc/01/39/05/924013905.db2.gz AFDWUYIWLYCLGU-NHCYSSNCSA-N 2 0 254.334 -0.893 20 0 CBADRP [NH3+][C@H](CNC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2)C1CC1 ZINC001553498652 924014635 /nfs/dbraw/zinc/01/46/35/924014635.db2.gz VCRSDUCRAVHUPY-NEPJUHHUSA-N 2 0 282.388 -0.127 20 0 CBADRP [NH3+]CCCNC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553497576 924014757 /nfs/dbraw/zinc/01/47/57/924014757.db2.gz SZELYPSXMKUALL-JTQLQIEISA-N 2 0 256.350 -0.597 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553506510 924015430 /nfs/dbraw/zinc/01/54/30/924015430.db2.gz VZLYJKFEJGJWRX-GARJFASQSA-N 2 0 270.377 -0.129 20 0 CBADRP [NH3+][C@H]1CN(C(=O)NC[C@H]2C[NH2+]CCO2)CC12CCOCC2 ZINC001553505846 924015475 /nfs/dbraw/zinc/01/54/75/924015475.db2.gz UFZJDNPLOQRZMG-NEPJUHHUSA-N 2 0 298.387 -0.876 20 0 CBADRP C[C@@H](NC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2)[C@H](C)[NH3+] ZINC001553506515 924015750 /nfs/dbraw/zinc/01/57/50/924015750.db2.gz VZLYJKFEJGJWRX-HBNTYKKESA-N 2 0 270.377 -0.129 20 0 CBADRP [NH3+][C@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC12CCOCC2 ZINC001553505858 924015801 /nfs/dbraw/zinc/01/58/01/924015801.db2.gz UFZJDNPLOQRZMG-RYUDHWBXSA-N 2 0 298.387 -0.876 20 0 CBADRP O=C(N[C@H]1C[NH2+]CC12CCOCC2)N[C@H]1CC[NH2+]C1 ZINC001553505278 924015854 /nfs/dbraw/zinc/01/58/54/924015854.db2.gz LSSZOFBQDNUNJW-QWRGUYRKSA-N 2 0 268.361 -0.584 20 0 CBADRP C[C@H]([NH3+])CNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553505896 924015928 /nfs/dbraw/zinc/01/59/28/924015928.db2.gz VDZFBFAFGACYNA-VHSXEESVSA-N 2 0 256.350 -0.599 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553504959 924016219 /nfs/dbraw/zinc/01/62/19/924016219.db2.gz SYFWLYFFYPZGBH-UPJWGTAASA-N 2 0 284.404 -0.165 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553506983 924016277 /nfs/dbraw/zinc/01/62/77/924016277.db2.gz OVUIJVLYETUSMF-UPJWGTAASA-N 2 0 282.388 -0.411 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001553505174 924016500 /nfs/dbraw/zinc/01/65/00/924016500.db2.gz SAKCLNFQXHTTFO-JSGCOSHPSA-N 2 0 282.388 -0.098 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553504953 924017177 /nfs/dbraw/zinc/01/71/77/924017177.db2.gz SYFWLYFFYPZGBH-FRRDWIJNSA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553506509 924017751 /nfs/dbraw/zinc/01/77/51/924017751.db2.gz VZLYJKFEJGJWRX-DCAQKATOSA-N 2 0 270.377 -0.129 20 0 CBADRP C[C@@H]([NH3+])CCNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553514636 924020008 /nfs/dbraw/zinc/02/00/08/924020008.db2.gz QCSWHMFZSRYVQQ-GHMZBOCLSA-N 2 0 270.377 -0.209 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553516082 924019830 /nfs/dbraw/zinc/01/98/30/924019830.db2.gz NTLFZCOXQPIVES-RYUDHWBXSA-N 2 0 298.387 -0.957 20 0 CBADRP [NH3+][C@H]1CN(C(=O)NC[C@@H]2CCC[NH2+]2)CC12CCOCC2 ZINC001553511139 924020112 /nfs/dbraw/zinc/02/01/12/924020112.db2.gz VXIZLIMDAGWAAL-RYUDHWBXSA-N 2 0 282.388 -0.112 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553515637 924020333 /nfs/dbraw/zinc/02/03/33/924020333.db2.gz NTLFZCOXQPIVES-NWDGAFQWSA-N 2 0 298.387 -0.957 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)NC[C@H]3CCC[NH2+]3)C[C@@H]2[NH3+])c1 ZINC001553512283 924020420 /nfs/dbraw/zinc/02/04/20/924020420.db2.gz XXWANOIXVVKOBE-UTUOFQBUSA-N 2 0 292.387 -0.392 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553509107 924020508 /nfs/dbraw/zinc/02/05/08/924020508.db2.gz RYEKAVQNQWLGLQ-VXGBXAGGSA-N 2 0 282.388 -0.194 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553517617 924022204 /nfs/dbraw/zinc/02/22/04/924022204.db2.gz MMNXDVNNEQHWGZ-IGQOVBAYSA-N 2 0 296.415 -0.023 20 0 CBADRP N[C@@H]1CN(C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C[C@@H]1[NH3+] ZINC001553523476 924022336 /nfs/dbraw/zinc/02/23/36/924022336.db2.gz FEAGUSXISZKUJF-LOWVWBTDSA-N 2 0 267.377 -0.705 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001553518017 924022509 /nfs/dbraw/zinc/02/25/09/924022509.db2.gz USDLVJQGKIJSMG-HHHUOAJASA-N 2 0 252.362 -0.027 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H]1CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC001553523575 924022901 /nfs/dbraw/zinc/02/29/01/924022901.db2.gz FUHDTWUWKGQPFE-MSLYCWSTSA-N 2 0 252.362 -0.025 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC001553519321 924023140 /nfs/dbraw/zinc/02/31/40/924023140.db2.gz YGRVASJKOJQKME-WZRBSPASSA-N 2 0 268.361 -0.584 20 0 CBADRP [NH3+]C1(CNC(=O)N[C@@]23CCC[C@@H]2C[NH2+]C3)CCOCC1 ZINC001553518511 924023725 /nfs/dbraw/zinc/02/37/25/924023725.db2.gz WVJKXFYQTZTYCF-BXUZGUMPSA-N 2 0 282.388 -0.064 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1 ZINC001553534236 924025589 /nfs/dbraw/zinc/02/55/89/924025589.db2.gz WPDQKNUPCDEYTR-WYUUTHIRSA-N 2 0 292.387 -0.536 20 0 CBADRP [NH3+]C1(CNC(=O)N[C@H]2C[NH2+]CC23CCOCC3)CC1 ZINC001553535666 924025945 /nfs/dbraw/zinc/02/59/45/924025945.db2.gz GDZFTHLRKVUQRY-JTQLQIEISA-N 2 0 268.361 -0.455 20 0 CBADRP [NH3+][C@H]1CN(C(=O)NCCN2CCC([NH3+])CC2)CC12CCC2 ZINC001553531164 924025978 /nfs/dbraw/zinc/02/59/78/924025978.db2.gz SOMXRVFYSQWNKS-ZDUSSCGKSA-N 2 0 295.431 -0.068 20 0 CBADRP [NH3+]CC1CC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC001553537178 924028059 /nfs/dbraw/zinc/02/80/59/924028059.db2.gz FUGUJBNRVSXLLO-CLRIEMFWSA-N 2 0 296.415 -0.036 20 0 CBADRP [NH3+]CC1CC(NC(=O)N2C[C@H]([NH3+])C3(C2)CCOCC3)C1 ZINC001553538719 924028744 /nfs/dbraw/zinc/02/87/44/924028744.db2.gz NYPJFFZPVAODCM-MCIGGMRASA-N 2 0 282.388 -0.127 20 0 CBADRP [NH3+]C[C@@H]1[C@H]2CN(C(=O)N[C@@H]3CCC[NH2+]C[C@@H]3F)C[C@H]21 ZINC001553549688 924029381 /nfs/dbraw/zinc/02/93/81/924029381.db2.gz NZCSSKFVPUBYQT-HHHUOAJASA-N 2 0 270.352 -0.077 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N[C@H]2C[NH+]3CCC2CC3)C1 ZINC001553632011 924030462 /nfs/dbraw/zinc/03/04/62/924030462.db2.gz BGJZVMYPDKTQEQ-AWEZNQCLSA-N 2 0 280.416 -0.310 20 0 CBADRP C[N@H+](CCO)CCNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001558359441 924169377 /nfs/dbraw/zinc/16/93/77/924169377.db2.gz ISJFGPZVBRYWHG-NSHDSACASA-N 2 0 261.341 -0.539 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420024272 282089165 /nfs/dbraw/zinc/08/91/65/282089165.db2.gz XWTYNGCUTASTHN-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000459898157 282089407 /nfs/dbraw/zinc/08/94/07/282089407.db2.gz OSKMLQVUSRACIQ-GFCCVEGCSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000124579971 187143954 /nfs/dbraw/zinc/14/39/54/187143954.db2.gz AEUPRHNIUQUHCL-GFCCVEGCSA-N 2 0 254.378 -0.556 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424054552 303957436 /nfs/dbraw/zinc/95/74/36/303957436.db2.gz AVPATGZEAKMFCW-QWRGUYRKSA-N 2 0 278.360 -0.316 20 0 CBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)COC1C[NH2+]C1 ZINC000423739442 282093680 /nfs/dbraw/zinc/09/36/80/282093680.db2.gz FTZIGGSAIGZETR-LBPRGKRZSA-N 2 0 285.388 -0.456 20 0 CBADRP COCC[C@@]1(C(=O)NCCCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000376527218 230253655 /nfs/dbraw/zinc/25/36/55/230253655.db2.gz NHMYGBHUMMESOO-HNNXBMFYSA-N 2 0 298.431 -0.586 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]21 ZINC000125413432 187183366 /nfs/dbraw/zinc/18/33/66/187183366.db2.gz KGDFGEQGPIRMFC-OUAUKWLOSA-N 2 0 266.345 -0.403 20 0 CBADRP C[C@H](CNC(=O)/C=C/C[NH+](C)C)N1CC[NH+](C)CC1 ZINC000491861375 230330987 /nfs/dbraw/zinc/33/09/87/230330987.db2.gz AKOPEUXJPNPUKW-URWSZGRFSA-N 2 0 268.405 -0.144 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000125629451 187193882 /nfs/dbraw/zinc/19/38/82/187193882.db2.gz NCVBWHATDCTUHS-CYBMUJFWSA-N 2 0 268.405 -0.118 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CCCC1 ZINC000125654333 187194978 /nfs/dbraw/zinc/19/49/78/187194978.db2.gz LYCOMCVEGBRJMQ-WDEREUQCSA-N 2 0 255.362 -0.300 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@H]2C[NH2+]CCO2)CCCC1 ZINC000125658418 187195082 /nfs/dbraw/zinc/19/50/82/187195082.db2.gz XXQPYWMCGJBFOQ-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000378203246 529441745 /nfs/dbraw/zinc/44/17/45/529441745.db2.gz HTNNIGDGAPAWLK-OLZOCXBDSA-N 2 0 268.405 -0.038 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419135965 290649644 /nfs/dbraw/zinc/64/96/44/290649644.db2.gz MPSRGQYUJBFLIP-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCC[NH+]1CCCC1 ZINC000126096347 187217082 /nfs/dbraw/zinc/21/70/82/187217082.db2.gz JMWVAJCXIZZXES-ZDUSSCGKSA-N 2 0 284.404 -0.312 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000126150387 187221084 /nfs/dbraw/zinc/22/10/84/187221084.db2.gz WAQJXYMAYJBAAE-BZPMIXESSA-N 2 0 296.415 -0.171 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000126161687 187221786 /nfs/dbraw/zinc/22/17/86/187221786.db2.gz UVTHORDXSCUTQE-YPMHNXCESA-N 2 0 284.404 -0.456 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000126280701 187230063 /nfs/dbraw/zinc/23/00/63/187230063.db2.gz BLKGZLZHSPZONS-GWCFXTLKSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@H]1[NH+](C)C ZINC000423355494 290666532 /nfs/dbraw/zinc/66/65/32/290666532.db2.gz PCFJJIJXOWHKEU-QJPTWQEYSA-N 2 0 282.388 -0.655 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000126466767 187242483 /nfs/dbraw/zinc/24/24/83/187242483.db2.gz LHHYPMLCHVAIAG-BZPMIXESSA-N 2 0 296.415 -0.171 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000351163632 219082919 /nfs/dbraw/zinc/08/29/19/219082919.db2.gz JTLPDZBCGRFVES-MJBXVCDLSA-N 2 0 280.416 -0.180 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000351163629 219084088 /nfs/dbraw/zinc/08/40/88/219084088.db2.gz JTLPDZBCGRFVES-MELADBBJSA-N 2 0 280.416 -0.180 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351517514 219112924 /nfs/dbraw/zinc/11/29/24/219112924.db2.gz ANKZBBJJYHTVMN-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000351530230 219116416 /nfs/dbraw/zinc/11/64/16/219116416.db2.gz ADDWCXGSCBHURI-FRRDWIJNSA-N 2 0 294.399 -0.402 20 0 CBADRP CC1CC[NH+](CCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351532990 219118099 /nfs/dbraw/zinc/11/80/99/219118099.db2.gz ABJVLOCESDCYQC-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@@H]1C[NH3+] ZINC000351540408 219119082 /nfs/dbraw/zinc/11/90/82/219119082.db2.gz VPZYUWDCAVIXJQ-IJLUTSLNSA-N 2 0 282.388 -0.560 20 0 CBADRP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000351545320 219120176 /nfs/dbraw/zinc/12/01/76/219120176.db2.gz WSHBHHHGCKVNER-CHWSQXEVSA-N 2 0 294.399 -0.450 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000573556501 334946637 /nfs/dbraw/zinc/94/66/37/334946637.db2.gz PDMRGAWQEJQPFG-QWRGUYRKSA-N 2 0 255.362 -0.131 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000351553047 219124109 /nfs/dbraw/zinc/12/41/09/219124109.db2.gz CVLNMGYXGAAUHU-UPJWGTAASA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C(C)(C)C[NH+](C)C ZINC000351559709 219126459 /nfs/dbraw/zinc/12/64/59/219126459.db2.gz VKBXPARGTMZRIU-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000573583562 334949582 /nfs/dbraw/zinc/94/95/82/334949582.db2.gz GXHLYDJZQNENQL-CYBMUJFWSA-N 2 0 283.420 -0.373 20 0 CBADRP C[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000573605624 334951105 /nfs/dbraw/zinc/95/11/05/334951105.db2.gz IHXUHQHTHXPZAQ-TUAOUCFPSA-N 2 0 282.388 -0.641 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351569030 219129286 /nfs/dbraw/zinc/12/92/86/219129286.db2.gz NJRXRJWRYGYHOY-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351591686 219138585 /nfs/dbraw/zinc/13/85/85/219138585.db2.gz GGKHTDLMYFTPKX-GXTWGEPZSA-N 2 0 271.405 -0.560 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449091379 282346534 /nfs/dbraw/zinc/34/65/34/282346534.db2.gz QEIRCKPOYAAGON-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CCCC[NH2+]1 ZINC000428196558 282346601 /nfs/dbraw/zinc/34/66/01/282346601.db2.gz DYTYKKFBRGKCTJ-LLVKDONJSA-N 2 0 268.361 -0.981 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000331490735 282365595 /nfs/dbraw/zinc/36/55/95/282365595.db2.gz YGYKOZWNCWYZDN-NWDGAFQWSA-N 2 0 296.415 -0.408 20 0 CBADRP C[C@@H](CO)[N@@H+]1CCCN(C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000351630074 219154210 /nfs/dbraw/zinc/15/42/10/219154210.db2.gz QVCDQKZTOCZTPT-ZFWWWQNUSA-N 2 0 285.432 -0.170 20 0 CBADRP C[C@H](CO)[N@@H+]1CCCN(C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000351630072 219154694 /nfs/dbraw/zinc/15/46/94/219154694.db2.gz QVCDQKZTOCZTPT-UKRRQHHQSA-N 2 0 285.432 -0.170 20 0 CBADRP C[NH2+][C@@H](C)CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424165578 290804257 /nfs/dbraw/zinc/80/42/57/290804257.db2.gz GBRNQCUHQISLSN-UWVGGRQHSA-N 2 0 266.349 -0.460 20 0 CBADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000351853186 219227444 /nfs/dbraw/zinc/22/74/44/219227444.db2.gz OERWMTWVSIMAIB-RYUDHWBXSA-N 2 0 255.362 -0.096 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NCCC[NH+]1CCCC1 ZINC000128882176 187395828 /nfs/dbraw/zinc/39/58/28/187395828.db2.gz AHXLMROQLHPNEG-GFCCVEGCSA-N 2 0 255.362 -0.033 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000352004076 219285131 /nfs/dbraw/zinc/28/51/31/219285131.db2.gz NUDBPGVQZXTQPZ-PWSUYJOCSA-N 2 0 272.393 -0.280 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000339582730 215257444 /nfs/dbraw/zinc/25/74/44/215257444.db2.gz PKNSCMQMKAVIIO-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP COCC[N@H+](C)CCNC(=O)c1csc(CC[NH3+])n1 ZINC000090954040 180073750 /nfs/dbraw/zinc/07/37/50/180073750.db2.gz OVELTQPBSQYMQA-UHFFFAOYSA-N 2 0 286.401 -0.048 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000091311276 180132763 /nfs/dbraw/zinc/13/27/63/180132763.db2.gz BQVCSKYAONEGMD-ZYHUDNBSSA-N 2 0 253.346 -0.282 20 0 CBADRP COCC[N@H+](C)CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091311803 180132975 /nfs/dbraw/zinc/13/29/75/180132975.db2.gz INKXOSMPRAJILO-LLVKDONJSA-N 2 0 259.350 -0.941 20 0 CBADRP O=C(C1C[NH2+]C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000091410885 180149066 /nfs/dbraw/zinc/14/90/66/180149066.db2.gz WQWXGFAXPCNVGR-UHFFFAOYSA-N 2 0 267.373 -0.223 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091549058 180188445 /nfs/dbraw/zinc/18/84/45/180188445.db2.gz VUWQCCQOASCCPT-OLZOCXBDSA-N 2 0 268.405 -0.133 20 0 CBADRP O=C(C[NH2+]CC1CC1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000091668195 180224690 /nfs/dbraw/zinc/22/46/90/180224690.db2.gz MDRUUKSDCNKWIS-QWHCGFSZSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH+]1CCC(CCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351538802 282691974 /nfs/dbraw/zinc/69/19/74/282691974.db2.gz SOTZMVYWHLRBCL-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[C@H](C)[C@@H](NC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1)C(=O)OC ZINC000107575146 186179905 /nfs/dbraw/zinc/17/99/05/186179905.db2.gz LAWYKTVBPUWBOY-CIQGVGRVSA-N 2 0 297.399 -0.159 20 0 CBADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000110651042 186310699 /nfs/dbraw/zinc/31/06/99/186310699.db2.gz IMULVJMAOQBKJK-SNVBAGLBSA-N 2 0 280.372 -0.357 20 0 CBADRP CC(=O)N1CCN(C(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000110649523 186309744 /nfs/dbraw/zinc/30/97/44/186309744.db2.gz OWOYOGWCKMBNKS-LBPRGKRZSA-N 2 0 296.415 -0.264 20 0 CBADRP COCC[NH+]1CCC(NC(=O)NCC[NH+](C)C)CC1 ZINC000133534809 282716437 /nfs/dbraw/zinc/71/64/37/282716437.db2.gz KAXRAWBEAQUTDD-UHFFFAOYSA-N 2 0 272.393 -0.042 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000036999124 351395320 /nfs/dbraw/zinc/39/53/20/351395320.db2.gz GKSVFZVTUAHXEK-WOPDTQHZSA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CNC(=O)C[NH3+] ZINC000037622990 351399868 /nfs/dbraw/zinc/39/98/68/351399868.db2.gz NDEIBZCYQALOAY-LLVKDONJSA-N 2 0 270.377 -0.558 20 0 CBADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)CNC(=O)C[NH3+] ZINC000037623028 351400156 /nfs/dbraw/zinc/40/01/56/351400156.db2.gz ZTDCUBXGNVSUCV-LLVKDONJSA-N 2 0 272.393 -0.312 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)CNC(=O)C[NH3+] ZINC000037626572 351401016 /nfs/dbraw/zinc/40/10/16/351401016.db2.gz OCBHVAAJHFRVKM-SNVBAGLBSA-N 2 0 256.350 -0.948 20 0 CBADRP [NH3+]CC(=O)NCC(=O)NCCC[NH+]1CCCCC1 ZINC000037626134 351401131 /nfs/dbraw/zinc/40/11/31/351401131.db2.gz BUMYNIBRBXKPFV-UHFFFAOYSA-N 2 0 256.350 -0.947 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)CNC(=O)C[NH3+] ZINC000037626571 351401163 /nfs/dbraw/zinc/40/11/63/351401163.db2.gz OCBHVAAJHFRVKM-JTQLQIEISA-N 2 0 256.350 -0.948 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NC1CC[NH+](C2CC2)CC1 ZINC000037631864 351401268 /nfs/dbraw/zinc/40/12/68/351401268.db2.gz ARWRZOOOLULGHI-UHFFFAOYSA-N 2 0 266.389 -0.365 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)NCCN1CC[NH+](C)CC1 ZINC000037760055 351402186 /nfs/dbraw/zinc/40/21/86/351402186.db2.gz WWXSLXIXYRBCBI-LBPRGKRZSA-N 2 0 256.394 -0.277 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCCN1CC[NH+](C)CC1 ZINC000037760049 351402322 /nfs/dbraw/zinc/40/23/22/351402322.db2.gz DOPAVBPSIPCCDK-RYUDHWBXSA-N 2 0 256.394 -0.277 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CCC[NH2+]CC2)CC1 ZINC000042354476 351430398 /nfs/dbraw/zinc/43/03/98/351430398.db2.gz UHEMWBSUKYEIDO-UHFFFAOYSA-N 2 0 254.378 -0.554 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000037820622 351408903 /nfs/dbraw/zinc/40/89/03/351408903.db2.gz UDOGIRHKQGRKGY-LLVKDONJSA-N 2 0 255.362 -0.096 20 0 CBADRP CC[NH+](CC)CC1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000037826266 351409053 /nfs/dbraw/zinc/40/90/53/351409053.db2.gz FUOPZKMPNLQQGE-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000040635659 351417506 /nfs/dbraw/zinc/41/75/06/351417506.db2.gz NVOKQKRAOFGFRC-GRYCIOLGSA-N 2 0 253.346 -0.330 20 0 CBADRP C[NH2+]CCCC(=O)NCCCN1CC[NH+](C)CC1 ZINC000040808861 351419367 /nfs/dbraw/zinc/41/93/67/351419367.db2.gz SMJVZUOGDVBOGA-UHFFFAOYSA-N 2 0 256.394 -0.260 20 0 CBADRP [NH3+]CCNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000052060558 351516834 /nfs/dbraw/zinc/51/68/34/351516834.db2.gz BVJACCLXESPJFZ-UHFFFAOYSA-N 2 0 268.361 -0.852 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2CCC[NH2+]CC2)CC1 ZINC000061272989 351567397 /nfs/dbraw/zinc/56/73/97/351567397.db2.gz KMTWDUDNRLAEBP-UHFFFAOYSA-N 2 0 268.405 -0.118 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)C[NH+]1CCCC1 ZINC000062076411 351573414 /nfs/dbraw/zinc/57/34/14/351573414.db2.gz ARNOCFMYHIMTDS-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)C[NH+]1CCCC1 ZINC000062076477 351573544 /nfs/dbraw/zinc/57/35/44/351573544.db2.gz QHQUOAUCUVXRAR-GRYCIOLGSA-N 2 0 255.362 -0.443 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000062972721 351577738 /nfs/dbraw/zinc/57/77/38/351577738.db2.gz IZUMVXVNGRNMJE-GRYCIOLGSA-N 2 0 255.362 -0.348 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180198 351580362 /nfs/dbraw/zinc/58/03/62/351580362.db2.gz WSLJATVSUUFUII-UWVGGRQHSA-N 2 0 256.350 -0.963 20 0 CBADRP CC(C)CNC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179667 351580714 /nfs/dbraw/zinc/58/07/14/351580714.db2.gz UPRDUHZOOYTMTH-GFCCVEGCSA-N 2 0 284.404 -0.455 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170505 351635463 /nfs/dbraw/zinc/63/54/63/351635463.db2.gz LZCCTJRCQYGUMA-SNVBAGLBSA-N 2 0 256.350 -0.107 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000070174611 351635950 /nfs/dbraw/zinc/63/59/50/351635950.db2.gz YVUAMQCMEJMXFQ-VHSXEESVSA-N 2 0 256.350 -0.109 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000070174113 351636078 /nfs/dbraw/zinc/63/60/78/351636078.db2.gz SOPGWWSJIQKLCN-VHSXEESVSA-N 2 0 254.334 -0.403 20 0 CBADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)NCC(=O)OC)C1 ZINC000072859490 351651643 /nfs/dbraw/zinc/65/16/43/351651643.db2.gz QESPNZDZSDXBME-LBPRGKRZSA-N 2 0 285.388 -0.061 20 0 CBADRP CC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000073644083 351655285 /nfs/dbraw/zinc/65/52/85/351655285.db2.gz VTTRTZBMCXHSNX-GFCCVEGCSA-N 2 0 284.404 -0.536 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NCC[N@H+](C)C2CC2)CC1=O ZINC000074229117 351659220 /nfs/dbraw/zinc/65/92/20/351659220.db2.gz SKEXOEWGGSDTLG-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000068807393 351622109 /nfs/dbraw/zinc/62/21/09/351622109.db2.gz BKPAWZLPUASSOI-VXGBXAGGSA-N 2 0 254.378 -0.652 20 0 CBADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000068807498 351622655 /nfs/dbraw/zinc/62/26/55/351622655.db2.gz TUTQCKZGCZAJKM-DGCLKSJQSA-N 2 0 256.394 -0.134 20 0 CBADRP C[NH+]1CCC(O)(CNC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000077785797 351682230 /nfs/dbraw/zinc/68/22/30/351682230.db2.gz MQOCQMGHWKXMDZ-LBPRGKRZSA-N 2 0 284.404 -0.164 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000081001884 351702079 /nfs/dbraw/zinc/70/20/79/351702079.db2.gz IPQWFXDSZWYVLU-OLZOCXBDSA-N 2 0 268.405 -0.119 20 0 CBADRP CC(C)[C@H](C[NH3+])C(=O)NCCCN1CC[NH+](C)CC1 ZINC000087531274 351722535 /nfs/dbraw/zinc/72/25/35/351722535.db2.gz XLPBDAJMLJUHOY-ZDUSSCGKSA-N 2 0 270.421 -0.029 20 0 CBADRP Cn1cncc1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000090168727 351737626 /nfs/dbraw/zinc/73/76/26/351737626.db2.gz GUEMOULUNIORKQ-NSHDSACASA-N 2 0 265.361 -0.293 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000091301476 351743872 /nfs/dbraw/zinc/74/38/72/351743872.db2.gz 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352399933 /nfs/dbraw/zinc/39/99/33/352399933.db2.gz XAUHXARAMKWVJX-OLZOCXBDSA-N 2 0 268.405 -0.180 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250397629 352371908 /nfs/dbraw/zinc/37/19/08/352371908.db2.gz RNJUPAQNRBZZNL-VXGBXAGGSA-N 2 0 282.388 -0.687 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000250362290 352371924 /nfs/dbraw/zinc/37/19/24/352371924.db2.gz UFGKYXCJHXBKBX-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000250363989 352372094 /nfs/dbraw/zinc/37/20/94/352372094.db2.gz FAOXJPHZWKMHLV-NEPJUHHUSA-N 2 0 254.378 -0.510 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000250412109 352372133 /nfs/dbraw/zinc/37/21/33/352372133.db2.gz WSLCLIAHWUGMMX-NWDGAFQWSA-N 2 0 286.445 -0.557 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000250127668 352372349 /nfs/dbraw/zinc/37/23/49/352372349.db2.gz WLZCDHRLWZABJE-FRRDWIJNSA-N 2 0 296.415 -0.489 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000251202430 352374246 /nfs/dbraw/zinc/37/42/46/352374246.db2.gz HBWBIQYXMQXKBM-YNEHKIRRSA-N 2 0 296.415 -0.170 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1C[NH2+]CCO1 ZINC000251539931 352375273 /nfs/dbraw/zinc/37/52/73/352375273.db2.gz YETBHOUKOSETNZ-IJLUTSLNSA-N 2 0 253.346 -0.282 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CSCN1 ZINC000252548618 352378275 /nfs/dbraw/zinc/37/82/75/352378275.db2.gz MSORSRHWEHLVFB-GMTAPVOTSA-N 2 0 271.386 -0.372 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252842582 352380899 /nfs/dbraw/zinc/38/08/99/352380899.db2.gz CQXDTYHJPLNBMQ-FIQHERPVSA-N 2 0 255.362 -0.051 20 0 CBADRP C[NH+](C)Cc1ccc(S(=O)(=O)NCC[NH3+])cc1 ZINC000261714515 352394215 /nfs/dbraw/zinc/39/42/15/352394215.db2.gz QAWJWULOBXBTAH-UHFFFAOYSA-N 2 0 257.359 -0.015 20 0 CBADRP CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000261753176 352395379 /nfs/dbraw/zinc/39/53/79/352395379.db2.gz QFTIBCBKTVMCIW-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@]2(COC)CC[NH2+]C2)CC1 ZINC000261794073 352396376 /nfs/dbraw/zinc/39/63/76/352396376.db2.gz YCAJZNVFYBPJCK-OAHLLOKOSA-N 2 0 299.415 -0.207 20 0 CBADRP O=C(CC[N@H+]1CCSC[C@@H]1CCO)N1CC[NH2+]CC1 ZINC000262205502 352410569 /nfs/dbraw/zinc/41/05/69/352410569.db2.gz SQLUDJCWURKYBE-LBPRGKRZSA-N 2 0 287.429 -0.392 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000263268630 352441253 /nfs/dbraw/zinc/44/12/53/352441253.db2.gz WDQFGHDHVYPUBS-OCCSQVGLSA-N 2 0 298.431 -0.114 20 0 CBADRP O=C(NC[C@H]1CCCN(C(=O)C2C[NH2+]C2)C1)[C@@H]1CCC[NH2+]1 ZINC000262230170 352411196 /nfs/dbraw/zinc/41/11/96/352411196.db2.gz MAWHFOJFSRAJMU-YPMHNXCESA-N 2 0 294.399 -0.687 20 0 CBADRP NC(=O)C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262221117 352411299 /nfs/dbraw/zinc/41/12/99/352411299.db2.gz UNOGPQPVOQIHHE-LBPRGKRZSA-N 2 0 282.388 -0.462 20 0 CBADRP O=C(NC[C@H]1CCCN(C(=O)C2C[NH2+]C2)C1)[C@H]1CCC[NH2+]1 ZINC000262230168 352411364 /nfs/dbraw/zinc/41/13/64/352411364.db2.gz MAWHFOJFSRAJMU-DGCLKSJQSA-N 2 0 294.399 -0.687 20 0 CBADRP O=C(C1C[NH2+]C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000262233800 352411607 /nfs/dbraw/zinc/41/16/07/352411607.db2.gz MSKJAEDFANMXLT-NSHDSACASA-N 2 0 253.346 -0.614 20 0 CBADRP COCCNC(=O)CN1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000262247247 352412119 /nfs/dbraw/zinc/41/21/19/352412119.db2.gz PRJZYGAAXHSWHR-UHFFFAOYSA-N 2 0 298.431 -0.634 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000263262582 352441353 /nfs/dbraw/zinc/44/13/53/352441353.db2.gz TXLGWHJSXWKBAV-JSGCOSHPSA-N 2 0 298.431 -0.114 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)C[C@@H]2COCC[NH2+]2)n1 ZINC000262301723 352414305 /nfs/dbraw/zinc/41/43/05/352414305.db2.gz BPPYSIXKNCJLJQ-LLVKDONJSA-N 2 0 281.360 -0.238 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000263262586 352441432 /nfs/dbraw/zinc/44/14/32/352441432.db2.gz TXLGWHJSXWKBAV-OCCSQVGLSA-N 2 0 298.431 -0.114 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC000262333613 352416270 /nfs/dbraw/zinc/41/62/70/352416270.db2.gz FGZUWXUUKMYBHF-AGIUHOORSA-N 2 0 269.389 -0.197 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000262324668 352416478 /nfs/dbraw/zinc/41/64/78/352416478.db2.gz FUHCWPFBJIKFFT-ZDUSSCGKSA-N 2 0 298.431 -0.493 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000262333616 352416619 /nfs/dbraw/zinc/41/66/19/352416619.db2.gz FGZUWXUUKMYBHF-UPJWGTAASA-N 2 0 269.389 -0.197 20 0 CBADRP CC[C@@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CC[N@@H+]1CCOC ZINC000262345093 352416956 /nfs/dbraw/zinc/41/69/56/352416956.db2.gz ILOWQKWQJWGTGF-UONOGXRCSA-N 2 0 299.415 -0.066 20 0 CBADRP CC[C@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CC[N@@H+]1CCOC ZINC000262345090 352417535 /nfs/dbraw/zinc/41/75/35/352417535.db2.gz ILOWQKWQJWGTGF-KBPBESRZSA-N 2 0 299.415 -0.066 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262367254 352419165 /nfs/dbraw/zinc/41/91/65/352419165.db2.gz JNGOSWBUICJCFQ-MROQNXINSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000262380539 352419583 /nfs/dbraw/zinc/41/95/83/352419583.db2.gz MVVWFPDVWBGYKN-NEPJUHHUSA-N 2 0 255.362 -0.238 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262426563 352421352 /nfs/dbraw/zinc/42/13/52/352421352.db2.gz HQWZPMKHLHDLSG-MJBXVCDLSA-N 2 0 280.416 -0.072 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000262419830 352421473 /nfs/dbraw/zinc/42/14/73/352421473.db2.gz RPAXVFPYYAENGL-KGLIPLIRSA-N 2 0 297.399 -0.454 20 0 CBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CNC(=O)C[NH3+])C1 ZINC000262464600 352422469 /nfs/dbraw/zinc/42/24/69/352422469.db2.gz YCUUQOCECQGOCT-TXEJJXNPSA-N 2 0 284.404 -0.455 20 0 CBADRP CCC[NH+]1CCC(CNC(=O)CNC(=O)C[NH3+])CC1 ZINC000262459413 352422741 /nfs/dbraw/zinc/42/27/41/352422741.db2.gz XGXNVKVCKIXYOO-UHFFFAOYSA-N 2 0 270.377 -0.701 20 0 CBADRP CCC[NH+]1CCC(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000262481966 352423463 /nfs/dbraw/zinc/42/34/63/352423463.db2.gz YBFZLAGIQTVUHV-QWHCGFSZSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@@H](C)O1 ZINC000262549148 352425248 /nfs/dbraw/zinc/42/52/48/352425248.db2.gz SRVPZLWWEVTWGY-LPWJVIDDSA-N 2 0 285.388 -0.675 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N[C@@H](C)C[NH3+])CC1=O ZINC000262545453 352425495 /nfs/dbraw/zinc/42/54/95/352425495.db2.gz UVXSUNUSQHYTGD-XQQFMLRXSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000262599280 352427367 /nfs/dbraw/zinc/42/73/67/352427367.db2.gz XMWBIKGCIDLRBI-KBPBESRZSA-N 2 0 299.415 -0.162 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000262599281 352427411 /nfs/dbraw/zinc/42/74/11/352427411.db2.gz XMWBIKGCIDLRBI-KGLIPLIRSA-N 2 0 299.415 -0.162 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NCC[C@H]2CC[NH2+]C2)CC1=O ZINC000262595687 352427473 /nfs/dbraw/zinc/42/74/73/352427473.db2.gz USKRJQIBLVKVJH-CHWSQXEVSA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@H](CNC(=O)C[NH2+]CC1CC1)C[NH+]1CCN(C)CC1 ZINC000262629336 352428487 /nfs/dbraw/zinc/42/84/87/352428487.db2.gz DDDHGKPYOVPIMQ-CYBMUJFWSA-N 2 0 282.432 -0.014 20 0 CBADRP CC[C@H]([NH3+])C(=O)NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000262638011 352429145 /nfs/dbraw/zinc/42/91/45/352429145.db2.gz IPGDXLJCMXQKCP-RYUDHWBXSA-N 2 0 256.394 -0.134 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000262774008 352433296 /nfs/dbraw/zinc/43/32/96/352433296.db2.gz JLJJQCVXAFMAPB-FRRDWIJNSA-N 2 0 287.404 -0.034 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[NH2+]1 ZINC000262892389 352435532 /nfs/dbraw/zinc/43/55/32/352435532.db2.gz OTBLMGYZEPKZEN-AGIUHOORSA-N 2 0 296.415 -0.347 20 0 CBADRP O=C(CC[N@@H+]1CCC[C@H]1C(=O)NC1CC1)N1CC[NH2+]CC1 ZINC000262016110 352403339 /nfs/dbraw/zinc/40/33/39/352403339.db2.gz FUHQRTOPZAHUCG-ZDUSSCGKSA-N 2 0 294.399 -0.449 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262037357 352404138 /nfs/dbraw/zinc/40/41/38/352404138.db2.gz KTBBJEBSCAGEAQ-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1=O ZINC000262026130 352404211 /nfs/dbraw/zinc/40/42/11/352404211.db2.gz PAAZTSJYYFVLPY-WFASDCNBSA-N 2 0 296.415 -0.406 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)CNC(=O)C[NH3+])c1ccc(F)cc1 ZINC000262136752 352408182 /nfs/dbraw/zinc/40/81/82/352408182.db2.gz LJGOONRHNBFBDW-GFCCVEGCSA-N 2 0 296.346 -0.381 20 0 CBADRP Cn1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(=O)n(C)c1=O ZINC000292843013 352685638 /nfs/dbraw/zinc/68/56/38/352685638.db2.gz SIBZWTIBWWQLGF-HNNXBMFYSA-N 2 0 292.383 -0.388 20 0 CBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)C[NH2+]C2CC2)CC1 ZINC000305814387 352750591 /nfs/dbraw/zinc/75/05/91/352750591.db2.gz JJZMAHMBZVTUJP-ZDUSSCGKSA-N 2 0 269.389 -0.053 20 0 CBADRP CN(C)CC(C)(C)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000308634682 352754320 /nfs/dbraw/zinc/75/43/20/352754320.db2.gz FLFPHTBWUFWFHB-GFCCVEGCSA-N 2 0 259.394 -0.391 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CCCN(C(C)=O)CC1 ZINC000311037498 352764807 /nfs/dbraw/zinc/76/48/07/352764807.db2.gz OJXXMLBSPLUYAP-CYBMUJFWSA-N 2 0 257.378 -0.147 20 0 CBADRP CC[NH2+]Cc1cn(C[C@@H](O)C[N@H+](C)CCOC)nn1 ZINC000311692257 352769951 /nfs/dbraw/zinc/76/99/51/352769951.db2.gz KNSKCSPTZSOCDF-LBPRGKRZSA-N 2 0 271.365 -0.673 20 0 CBADRP O=C1CNC(=O)N1CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311720114 352770057 /nfs/dbraw/zinc/77/00/57/352770057.db2.gz PJJNODJMGNHGCM-PHIMTYICSA-N 2 0 266.345 -0.530 20 0 CBADRP Cn1nccc1CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000311915485 352772144 /nfs/dbraw/zinc/77/21/44/352772144.db2.gz ARBZICVGCHGHKD-CQSZACIVSA-N 2 0 263.389 -0.058 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000573918614 334977196 /nfs/dbraw/zinc/97/71/96/334977196.db2.gz UXJMJVSXVDNKCL-QWRGUYRKSA-N 2 0 270.377 -0.656 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332082511 352934600 /nfs/dbraw/zinc/93/46/00/352934600.db2.gz BABVXQONUWTHLU-YNEHKIRRSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000331374795 352909614 /nfs/dbraw/zinc/90/96/14/352909614.db2.gz GHZACBVNPQPQRL-MNOVXSKESA-N 2 0 280.372 -0.840 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000331374779 352909722 /nfs/dbraw/zinc/90/97/22/352909722.db2.gz GHZACBVNPQPQRL-GHMZBOCLSA-N 2 0 280.372 -0.840 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)[NH2+]1 ZINC000331378223 352910409 /nfs/dbraw/zinc/91/04/09/352910409.db2.gz HUPIOECCTTXLPZ-GRYCIOLGSA-N 2 0 294.399 -0.452 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)C[N@@H+]1C1CC1 ZINC000331388204 352911016 /nfs/dbraw/zinc/91/10/16/352911016.db2.gz LOWDFFROQGDGNG-WOPDTQHZSA-N 2 0 294.399 -0.452 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C[N@@H+]1C1CC1 ZINC000331392677 352911705 /nfs/dbraw/zinc/91/17/05/352911705.db2.gz MUJGTFXBXAOBCB-UTUOFQBUSA-N 2 0 294.399 -0.452 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000331479411 352918432 /nfs/dbraw/zinc/91/84/32/352918432.db2.gz LMSLBZWJNBYZKZ-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000331492902 352919285 /nfs/dbraw/zinc/91/92/85/352919285.db2.gz RIVOYCOLZHSGDG-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC[NH2+]1 ZINC000331958887 352928366 /nfs/dbraw/zinc/92/83/66/352928366.db2.gz QBSYOVSHQYVFFA-OLZOCXBDSA-N 2 0 292.383 -0.721 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332038183 352930368 /nfs/dbraw/zinc/93/03/68/352930368.db2.gz LACNOTOGEROKMO-RWMBFGLXSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[C@H](C)C[NH2+]1 ZINC000332655116 352972773 /nfs/dbraw/zinc/97/27/73/352972773.db2.gz VTTJLTLZVUGJMR-JHJVBQTASA-N 2 0 294.399 -0.498 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000332819827 352987728 /nfs/dbraw/zinc/98/77/28/352987728.db2.gz GPJCTKXOSCBFHL-STQMWFEESA-N 2 0 283.420 -0.374 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)C[C@@H]1[NH3+] ZINC000332263762 352941379 /nfs/dbraw/zinc/94/13/79/352941379.db2.gz UCSLYROOHNFELN-NDBYEHHHSA-N 2 0 294.399 -0.513 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000332326108 352944862 /nfs/dbraw/zinc/94/48/62/352944862.db2.gz LICNJGASIZREKO-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)C[C@@H]1[NH3+] ZINC000332357063 352946153 /nfs/dbraw/zinc/94/61/53/352946153.db2.gz WVHONLJPHSOCAB-NEPJUHHUSA-N 2 0 282.388 -0.654 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000332390287 352948182 /nfs/dbraw/zinc/94/81/82/352948182.db2.gz WTDCOCVIENEIOH-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)C[C@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)CCO1 ZINC000332421773 352949815 /nfs/dbraw/zinc/94/98/15/352949815.db2.gz CMTLWNZSJOARGQ-NWDGAFQWSA-N 2 0 255.362 -0.097 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC2([NH3+])CCC2)[C@H](C)C1 ZINC000332457745 352954073 /nfs/dbraw/zinc/95/40/73/352954073.db2.gz ICSHVMVOCFFYDZ-NEPJUHHUSA-N 2 0 284.404 -0.036 20 0 CBADRP C[NH+](C)C1(CNC(=O)N2CCO[C@@H](C[NH3+])C2)CCC1 ZINC000332506600 352961475 /nfs/dbraw/zinc/96/14/75/352961475.db2.gz XZRFXZZXYXEXHJ-NSHDSACASA-N 2 0 270.377 -0.160 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332570442 352967572 /nfs/dbraw/zinc/96/75/72/352967572.db2.gz CMFFHOOEMIJCTE-XQQFMLRXSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC[NH2+]1 ZINC000332592170 352968150 /nfs/dbraw/zinc/96/81/50/352968150.db2.gz AUACFHPYRCNYME-RYUDHWBXSA-N 2 0 280.372 -0.887 20 0 CBADRP C[C@H](CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[N@H+](C)C1CC1 ZINC000333355133 353000670 /nfs/dbraw/zinc/00/06/70/353000670.db2.gz KELFHTGDQVWDKA-YJQGPUDQSA-N 2 0 252.362 -0.014 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)N1CC[NH+](C2CCC2)CC1 ZINC000333600831 353005322 /nfs/dbraw/zinc/00/53/22/353005322.db2.gz WKVYAPLPWVAPLF-CYBMUJFWSA-N 2 0 282.388 -0.146 20 0 CBADRP C[N@@H+]1CCCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000333623448 353006240 /nfs/dbraw/zinc/00/62/40/353006240.db2.gz USMTVFYYETTZAS-LBPRGKRZSA-N 2 0 292.387 -0.020 20 0 CBADRP O=C(N[C@@H]1CCCC[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333664268 353006973 /nfs/dbraw/zinc/00/69/73/353006973.db2.gz MBYCRUTWULIOIB-KGLIPLIRSA-N 2 0 295.431 -0.182 20 0 CBADRP CC[C@@H](O)CN1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000333754585 353010186 /nfs/dbraw/zinc/01/01/86/353010186.db2.gz ZOBHVWQEGKDFPO-QWHCGFSZSA-N 2 0 284.404 -0.164 20 0 CBADRP CC(C)C[NH+]1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000333784479 353010807 /nfs/dbraw/zinc/01/08/07/353010807.db2.gz FDQDNZUCWDXJQP-UHFFFAOYSA-N 2 0 297.447 -0.125 20 0 CBADRP C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@@H]1CCC[NH2+]C1 ZINC000336817824 353058940 /nfs/dbraw/zinc/05/89/40/353058940.db2.gz RZOSUYZTYDKDAD-ZIAGYGMSSA-N 2 0 271.405 -0.389 20 0 CBADRP C[N@H+](C[C@@H](O)CN1CC[NH+](CC(C)(C)O)CC1)C1CC1 ZINC000336837662 353062827 /nfs/dbraw/zinc/06/28/27/353062827.db2.gz MEHOHYFJKXKEEC-CQSZACIVSA-N 2 0 285.432 -0.170 20 0 CBADRP COC(=O)CNC(=O)CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152336943 188010737 /nfs/dbraw/zinc/01/07/37/188010737.db2.gz DYQGINHXUUBDBP-GFCCVEGCSA-N 2 0 285.388 -0.061 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[C@H]1CCC[C@@H]1[NH3+] ZINC000340117752 353151815 /nfs/dbraw/zinc/15/18/15/353151815.db2.gz DEDJDIFJMXZOHN-AGIUHOORSA-N 2 0 296.415 -0.040 20 0 CBADRP C[C@@H]([NH3+])CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000340176968 353154888 /nfs/dbraw/zinc/15/48/88/353154888.db2.gz KDKNDPAKMNIBRX-ZJUUUORDSA-N 2 0 256.350 -0.820 20 0 CBADRP C[C@@H]([NH3+])CC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000340185251 353155037 /nfs/dbraw/zinc/15/50/37/353155037.db2.gz JTDXMVVMVCYYHJ-VXGBXAGGSA-N 2 0 256.394 -0.277 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000340207781 353156323 /nfs/dbraw/zinc/15/63/23/353156323.db2.gz WLWPRTYHKNAKKV-STQMWFEESA-N 2 0 296.415 -0.168 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340483003 353172782 /nfs/dbraw/zinc/17/27/82/353172782.db2.gz ZWNGCGFNMBGNKK-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)CC(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000340662951 353182113 /nfs/dbraw/zinc/18/21/13/353182113.db2.gz PBXGFTYXYJJNTQ-UHFFFAOYSA-N 2 0 268.405 -0.212 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C[NH+](C)C ZINC000341230063 353206287 /nfs/dbraw/zinc/20/62/87/353206287.db2.gz OZMQEJVBKGZJRN-CHWSQXEVSA-N 2 0 298.431 -0.290 20 0 CBADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1CCC[NH2+]C1 ZINC000342761562 353231648 /nfs/dbraw/zinc/23/16/48/353231648.db2.gz XOTBDRPEGKLZDH-GFCCVEGCSA-N 2 0 269.389 -0.051 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC[NH+](C)C ZINC000342665603 353226400 /nfs/dbraw/zinc/22/64/00/353226400.db2.gz PGYKVUFBSOEXBA-GFCCVEGCSA-N 2 0 271.409 -0.517 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000342687089 353227105 /nfs/dbraw/zinc/22/71/05/353227105.db2.gz AUULDHMKOQCFMY-GHMZBOCLSA-N 2 0 271.361 -0.277 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000342736209 353230740 /nfs/dbraw/zinc/23/07/40/353230740.db2.gz MTVXKRJBVSPCDU-KOLCDFICSA-N 2 0 269.345 -0.380 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000343080686 353251352 /nfs/dbraw/zinc/25/13/52/353251352.db2.gz FHADRPWXUVTLGV-AWEZNQCLSA-N 2 0 280.416 -0.023 20 0 CBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343413900 353271071 /nfs/dbraw/zinc/27/10/71/353271071.db2.gz WPTPQWKMPOWTMV-UONOGXRCSA-N 2 0 280.416 -0.071 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000343453234 353273203 /nfs/dbraw/zinc/27/32/03/353273203.db2.gz HKAQARKALOECPB-DLOVCJGASA-N 2 0 283.372 -0.134 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000343453237 353273281 /nfs/dbraw/zinc/27/32/81/353273281.db2.gz HKAQARKALOECPB-USWWRNFRSA-N 2 0 283.372 -0.134 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)CC[N@@H+]1C ZINC000343286215 353264343 /nfs/dbraw/zinc/26/43/43/353264343.db2.gz XORIQPXPXZPCFF-MGPQQGTHSA-N 2 0 280.416 -0.025 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCC[NH+](C)C2CC2)CC1 ZINC000343294822 353265350 /nfs/dbraw/zinc/26/53/50/353265350.db2.gz JXKGNIDKQKOJHG-UHFFFAOYSA-N 2 0 296.415 -0.249 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1)C1CC1 ZINC000343315741 353266817 /nfs/dbraw/zinc/26/68/17/353266817.db2.gz YUXRLDYXIDXJGD-NSHDSACASA-N 2 0 294.399 -0.450 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343313737 353267071 /nfs/dbraw/zinc/26/70/71/353267071.db2.gz SNUAFDUDITVNGX-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000343324071 353268057 /nfs/dbraw/zinc/26/80/57/353268057.db2.gz PMJCIDPVVBPRDR-GXTWGEPZSA-N 2 0 278.400 -0.271 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000343592146 353280453 /nfs/dbraw/zinc/28/04/53/353280453.db2.gz KMSCHFWEHRBNEM-YWVKMMECSA-N 2 0 256.350 -0.966 20 0 CBADRP [NH3+]CC1CCC(CNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000343641633 353283359 /nfs/dbraw/zinc/28/33/59/353283359.db2.gz OBDZGVNVJZKVMW-HTAVTVPLSA-N 2 0 255.362 -0.144 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000345521857 353335195 /nfs/dbraw/zinc/33/51/95/353335195.db2.gz LTCXRQFKAPCTDH-CQSZACIVSA-N 2 0 298.431 -0.539 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000346227786 353367122 /nfs/dbraw/zinc/36/71/22/353367122.db2.gz QSMCKZONDSNIDT-NEPJUHHUSA-N 2 0 254.378 -0.557 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000346130852 353362849 /nfs/dbraw/zinc/36/28/49/353362849.db2.gz HNIDRILDNGEBRO-LBPRGKRZSA-N 2 0 256.394 -0.310 20 0 CBADRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(=O)n(C)c1=O ZINC000346863701 353394552 /nfs/dbraw/zinc/39/45/52/353394552.db2.gz XYUWUDZNQNBZEI-DRZSPHRISA-N 2 0 292.383 -0.357 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000346266754 353368631 /nfs/dbraw/zinc/36/86/31/353368631.db2.gz BAKPLTHJXVAQEP-XQQFMLRXSA-N 2 0 296.415 -0.040 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000346536696 353382005 /nfs/dbraw/zinc/38/20/05/353382005.db2.gz TXOOOBMLRVRDBN-WCQYABFASA-N 2 0 296.415 -0.395 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)CC[N@@H+]1C ZINC000347993774 353404141 /nfs/dbraw/zinc/40/41/41/353404141.db2.gz BTDPZLCLHXQGMZ-NEPJUHHUSA-N 2 0 284.404 -0.395 20 0 CBADRP CC[C@H]1CN(C(=O)CCOC2C[NH2+]C2)CC[N@@H+]1C[C@@H](C)O ZINC000349008834 353444944 /nfs/dbraw/zinc/44/49/44/353444944.db2.gz WTOQIFOCFNMWGY-OLZOCXBDSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N[C@H](C)CC[NH3+])CC1 ZINC000349983495 353469434 /nfs/dbraw/zinc/46/94/34/353469434.db2.gz BIQVDAUKGXZAJM-GFCCVEGCSA-N 2 0 256.394 -0.133 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000350998404 353475222 /nfs/dbraw/zinc/47/52/22/353475222.db2.gz NFOOHHWGNDPWIM-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP CCOCCNC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351496370 353475900 /nfs/dbraw/zinc/47/59/00/353475900.db2.gz RKCUFUGIHDTAEV-SRVKXCTJSA-N 2 0 255.362 -0.192 20 0 CBADRP CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000352314914 353479566 /nfs/dbraw/zinc/47/95/66/353479566.db2.gz SLOJBEIBVLRBAL-LLVKDONJSA-N 2 0 263.407 -0.048 20 0 CBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000262058058 137706233 /nfs/dbraw/zinc/70/62/33/137706233.db2.gz RKFYHZNYAMKMRT-UWVGGRQHSA-N 2 0 294.321 -0.309 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000353462838 353532328 /nfs/dbraw/zinc/53/23/28/353532328.db2.gz UAVLIZMTMIBKND-RYUDHWBXSA-N 2 0 273.377 -0.567 20 0 CBADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H](N)CC(N)=O ZINC000353557806 353533260 /nfs/dbraw/zinc/53/32/60/353533260.db2.gz CGGPHWJXBXMLFG-GFCCVEGCSA-N 2 0 284.404 -0.088 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354674918 353576919 /nfs/dbraw/zinc/57/69/19/353576919.db2.gz MECONJIXNYKJSA-NEPJUHHUSA-N 2 0 284.404 -0.122 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCC[NH+]1CCCC1 ZINC000354686900 353578259 /nfs/dbraw/zinc/57/82/59/353578259.db2.gz GTJSAEIUPKEPKC-ZDUSSCGKSA-N 2 0 296.415 -0.153 20 0 CBADRP C[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000354700562 353578900 /nfs/dbraw/zinc/57/89/00/353578900.db2.gz WYIUIMRODNYGPP-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP CC[NH+]1CCC(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000354700386 353578936 /nfs/dbraw/zinc/57/89/36/353578936.db2.gz ALQVWWVHCQUOFR-CYBMUJFWSA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354747709 353582307 /nfs/dbraw/zinc/58/23/07/353582307.db2.gz AAHGFWRVMLWBSK-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354747739 353582396 /nfs/dbraw/zinc/58/23/96/353582396.db2.gz AAHGFWRVMLWBSK-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000355142127 353587656 /nfs/dbraw/zinc/58/76/56/353587656.db2.gz WCDDUTZCIQSKGL-RYUDHWBXSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH2+]CCC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000357237729 353601366 /nfs/dbraw/zinc/60/13/66/353601366.db2.gz FTBXZLFEMFWUMN-LBPRGKRZSA-N 2 0 256.394 -0.404 20 0 CBADRP C[C@H](CNC(=O)C[C@@H]1COCC[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000357249350 353602465 /nfs/dbraw/zinc/60/24/65/353602465.db2.gz SEIMIBBCWPACAT-ZIAGYGMSSA-N 2 0 298.431 -0.635 20 0 CBADRP CC1CC[NH+](CC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000358049656 353621147 /nfs/dbraw/zinc/62/11/47/353621147.db2.gz OWGMJVPYPOWZAX-CQSZACIVSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@H+](CC(=O)NC[C@]1(O)CC[NH+](C)C1)[C@H]1CCSC1 ZINC000358060297 353623089 /nfs/dbraw/zinc/62/30/89/353623089.db2.gz FGCXDCONEDWDDA-WCQYABFASA-N 2 0 287.429 -0.394 20 0 CBADRP C[C@H](C(=O)NCC[NH+](C)C)[C@H](C)C(=O)NCC[NH+](C)C ZINC000358079787 353625106 /nfs/dbraw/zinc/62/51/06/353625106.db2.gz AJDXFTSVHMTDRV-RYUDHWBXSA-N 2 0 286.420 -0.386 20 0 CBADRP CCNC(=O)NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358500176 353648280 /nfs/dbraw/zinc/64/82/80/353648280.db2.gz PFZHOXZRBHBESD-UHFFFAOYSA-N 2 0 268.361 -0.092 20 0 CBADRP C[C@H](NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2)C(=O)N(C)C ZINC000358503750 353648450 /nfs/dbraw/zinc/64/84/50/353648450.db2.gz FKTQJMCKCDZREV-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000357789002 353606834 /nfs/dbraw/zinc/60/68/34/353606834.db2.gz JDDKDJDTOJBRDI-CQSZACIVSA-N 2 0 282.388 -0.591 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357924786 353614738 /nfs/dbraw/zinc/61/47/38/353614738.db2.gz ORFSUCNPHFFAGZ-QJPTWQEYSA-N 2 0 273.377 -0.818 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357924781 353614758 /nfs/dbraw/zinc/61/47/58/353614758.db2.gz ORFSUCNPHFFAGZ-IJLUTSLNSA-N 2 0 273.377 -0.818 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CCSC1 ZINC000357927633 353614951 /nfs/dbraw/zinc/61/49/51/353614951.db2.gz LPBAGFVWOHHGKF-FOGDFJRCSA-N 2 0 273.402 -0.737 20 0 CBADRP COc1ccnc(N2CCN([C@@H]3COC[C@@H]3O)CC2)c1 ZINC000361289529 353660475 /nfs/dbraw/zinc/66/04/75/353660475.db2.gz POMIKRDJOBNPEP-OLZOCXBDSA-N 2 0 279.340 -0.028 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN([C@H]2COC[C@@H]2O)CC1 ZINC000361286210 353660808 /nfs/dbraw/zinc/66/08/08/353660808.db2.gz FTMMYGDQICBDKT-ILXRZTDVSA-N 2 0 283.416 -0.152 20 0 CBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C3C[NH2+]C3)C2)CC1 ZINC000364238407 353671087 /nfs/dbraw/zinc/67/10/87/353671087.db2.gz QVLIVEFHYFAKIS-GFCCVEGCSA-N 2 0 266.389 -0.510 20 0 CBADRP O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cccn1C1CC[NH2+]CC1 ZINC000367041193 353679641 /nfs/dbraw/zinc/67/96/41/353679641.db2.gz SHQXYPHMSXAVJZ-BXUZGUMPSA-N 2 0 292.383 -0.277 20 0 CBADRP CCC[C@@H]([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000367994114 353684047 /nfs/dbraw/zinc/68/40/47/353684047.db2.gz PQTHXUJHJAQJCI-NWDGAFQWSA-N 2 0 254.378 -0.380 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H](OC)C[NH2+]2)C1 ZINC000373624206 353734069 /nfs/dbraw/zinc/73/40/69/353734069.db2.gz QGRMCRXLMPPKLI-GRYCIOLGSA-N 2 0 271.361 -0.800 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@@]2(F)CC[NH2+]C2)CCOCC1 ZINC000372105302 353710660 /nfs/dbraw/zinc/71/06/60/353710660.db2.gz JOIJKGKXFYFPIS-CYBMUJFWSA-N 2 0 273.352 -0.085 20 0 CBADRP C[NH+](C)CCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000372366728 353715666 /nfs/dbraw/zinc/71/56/66/353715666.db2.gz CBTSXUVMBRSOAC-RYUDHWBXSA-N 2 0 270.377 -0.290 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)[C@H]1C ZINC000373071433 353725706 /nfs/dbraw/zinc/72/57/06/353725706.db2.gz SGKMWRZSSQYVSL-IUCAKERBSA-N 2 0 263.345 -0.122 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000375832088 353768438 /nfs/dbraw/zinc/76/84/38/353768438.db2.gz BJEMDGPFRSOZEM-UTUOFQBUSA-N 2 0 255.362 -0.361 20 0 CBADRP CCOCCN1CCN(C(=O)C[C@@H]2COCC[NH2+]2)C[C@@H]1C ZINC000375912352 353768755 /nfs/dbraw/zinc/76/87/55/353768755.db2.gz OULONCZEJHNLDT-UONOGXRCSA-N 2 0 299.415 -0.066 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000375961730 353769871 /nfs/dbraw/zinc/76/98/71/353769871.db2.gz DFHMDMOKNIPLLB-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000375956063 353769935 /nfs/dbraw/zinc/76/99/35/353769935.db2.gz ADTFVIBFAAGHIA-CHWSQXEVSA-N 2 0 298.456 -0.412 20 0 CBADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)[C@H]1C[C@H](O)C[NH2+]1 ZINC000375953933 353769981 /nfs/dbraw/zinc/76/99/81/353769981.db2.gz LROBAQDEHGQHBX-IACUBPJLSA-N 2 0 275.352 -0.288 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000375975571 353770553 /nfs/dbraw/zinc/77/05/53/353770553.db2.gz ROICQMRQQYKBCG-MVWJERBFSA-N 2 0 253.346 -0.426 20 0 CBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH2+]C3)C2)CC1 ZINC000377198689 353777998 /nfs/dbraw/zinc/77/79/98/353777998.db2.gz QSTOEYNNHUCFLB-STQMWFEESA-N 3 0 280.416 -0.119 20 0 CBADRP C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000377291997 353778054 /nfs/dbraw/zinc/77/80/54/353778054.db2.gz OLJFBDSPLKMBKL-RNJOBUHISA-N 2 0 267.373 -0.206 20 0 CBADRP COCC[C@]1(C(=O)NC[C@@H]([NH3+])C2CC2)CC[NH2+]C1 ZINC000378314785 353780866 /nfs/dbraw/zinc/78/08/66/353780866.db2.gz LJLNTLGLVWVSON-DGCLKSJQSA-N 2 0 255.362 -0.144 20 0 CBADRP CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000400173450 353799896 /nfs/dbraw/zinc/79/98/96/353799896.db2.gz LQYNQHFCZVVEEX-MNOVXSKESA-N 2 0 261.391 -0.248 20 0 CBADRP CS(=O)(=O)N1CC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000400173454 353799990 /nfs/dbraw/zinc/79/99/90/353799990.db2.gz LQYNQHFCZVVEEX-WDEREUQCSA-N 2 0 261.391 -0.248 20 0 CBADRP Cn1cc(C[NH2+]CC2=CC[N@H+](C)CC2)c(=O)n(C)c1=O ZINC000392296904 353792840 /nfs/dbraw/zinc/79/28/40/353792840.db2.gz UPCQDECRQLXLEO-UHFFFAOYSA-N 2 0 278.356 -0.565 20 0 CBADRP CN(C)C1CN(S(=O)(=O)CCCN2CCOCC2)C1 ZINC000408244016 353879388 /nfs/dbraw/zinc/87/93/88/353879388.db2.gz MEBGDNCZFIKLEE-UHFFFAOYSA-N 2 0 291.417 -0.716 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000410474229 353929353 /nfs/dbraw/zinc/92/93/53/353929353.db2.gz KRSRLKBHBUIXBT-GFCCVEGCSA-N 2 0 284.404 -0.441 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000410497552 353929941 /nfs/dbraw/zinc/92/99/41/353929941.db2.gz KAUKPPJXYJCOGF-ZDUSSCGKSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CC2)C[C@H](C)[N@H+]1CCO ZINC000418414210 353996902 /nfs/dbraw/zinc/99/69/02/353996902.db2.gz ZIUREXMVBSNFSV-LOWVWBTDSA-N 2 0 284.404 -0.180 20 0 CBADRP C[C@H]1C[NH+](CCCNC(=O)NCC[NH3+])C[C@H](C)O1 ZINC000416936926 353973573 /nfs/dbraw/zinc/97/35/73/353973573.db2.gz COBSYWKKGZLPQH-QWRGUYRKSA-N 2 0 258.366 -0.256 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCC[NH3+])C1 ZINC000416869327 353973860 /nfs/dbraw/zinc/97/38/60/353973860.db2.gz NBIJSOQTGOQAKQ-LBPRGKRZSA-N 2 0 272.393 -0.009 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)C[NH3+])C1 ZINC000416873440 353973967 /nfs/dbraw/zinc/97/39/67/353973967.db2.gz RQJAFCACVOQUMI-RYUDHWBXSA-N 2 0 272.393 -0.010 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418405375 353997100 /nfs/dbraw/zinc/99/71/00/353997100.db2.gz RAGPMZGRGXQXRZ-LBPRGKRZSA-N 2 0 272.393 -0.057 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@H](C)CC[NH+](C)C ZINC000417318564 353976423 /nfs/dbraw/zinc/97/64/23/353976423.db2.gz MCTYYKQOYJXSGK-LLVKDONJSA-N 2 0 260.382 -0.138 20 0 CBADRP CC[N@H+](CCNC(=O)NC[C@H]1C[NH2+]CCO1)C1CC1 ZINC000417431885 353977513 /nfs/dbraw/zinc/97/75/13/353977513.db2.gz RZBVNEMTUAVCKV-GFCCVEGCSA-N 2 0 270.377 -0.242 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417438950 353977612 /nfs/dbraw/zinc/97/76/12/353977612.db2.gz KGVPKFFKPGPHJX-NEPJUHHUSA-N 2 0 270.377 -0.432 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)C[NH3+] ZINC000417569167 353979510 /nfs/dbraw/zinc/97/95/10/353979510.db2.gz QBONQDLTTWQKHM-NWDGAFQWSA-N 2 0 272.393 -0.009 20 0 CBADRP C[NH2+]CCNC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000417564947 353979637 /nfs/dbraw/zinc/97/96/37/353979637.db2.gz JZDDTPFQWVOOGO-NSHDSACASA-N 2 0 258.366 -0.384 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N(CC[NH3+])CCO ZINC000417581817 353979827 /nfs/dbraw/zinc/97/98/27/353979827.db2.gz GUDCORUSJLEUPJ-LBPRGKRZSA-N 2 0 272.393 -0.177 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)C[NH3+] ZINC000417569168 353980021 /nfs/dbraw/zinc/98/00/21/353980021.db2.gz QBONQDLTTWQKHM-RYUDHWBXSA-N 2 0 272.393 -0.009 20 0 CBADRP C[C@H](CNC(=O)NCCN1CC[NH2+]CC1)[N@H+](C)C1CC1 ZINC000417551282 353980088 /nfs/dbraw/zinc/98/00/88/353980088.db2.gz NVOVZYKHPNAGKW-GFCCVEGCSA-N 2 0 283.420 -0.327 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000417742469 353983260 /nfs/dbraw/zinc/98/32/60/353983260.db2.gz BCVNTTBMJMXMDZ-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417742479 353983479 /nfs/dbraw/zinc/98/34/79/353983479.db2.gz BDAPMSXKHYMAGM-BETUJISGSA-N 2 0 284.404 -0.185 20 0 CBADRP C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[NH2+]CCO2)CCC[N@@H+]1C ZINC000417993248 353985959 /nfs/dbraw/zinc/98/59/59/353985959.db2.gz AFOBPBGXJCBEKI-GRYCIOLGSA-N 2 0 270.377 -0.243 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)N(CC[NH3+])CCO)CC1 ZINC000418006184 353986746 /nfs/dbraw/zinc/98/67/46/353986746.db2.gz BUERQHOWCCHNBH-UHFFFAOYSA-N 2 0 270.377 -0.399 20 0 CBADRP C[C@H]1CN(C(=O)NCCOCC[NH+](C)C)CC[NH2+]1 ZINC000418062699 353987243 /nfs/dbraw/zinc/98/72/43/353987243.db2.gz GDAMKMTYEWXZGH-NSHDSACASA-N 2 0 258.366 -0.432 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)NCCOCC[NH+](C)C)[C@H]1C ZINC000418073983 353987755 /nfs/dbraw/zinc/98/77/55/353987755.db2.gz XDYSOXCJULOVEU-RYUDHWBXSA-N 2 0 272.393 -0.044 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000418059723 353987851 /nfs/dbraw/zinc/98/78/51/353987851.db2.gz AHWWOLXBHOFDIM-UHFFFAOYSA-N 2 0 272.393 -0.042 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000418231804 353989198 /nfs/dbraw/zinc/98/91/98/353989198.db2.gz YFIFSHJKFZLDMJ-GFCCVEGCSA-N 2 0 272.393 -0.009 20 0 CBADRP C[NH2+]CCCNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000418279151 353990133 /nfs/dbraw/zinc/99/01/33/353990133.db2.gz OIOANZOTWSVTLL-VXGBXAGGSA-N 2 0 272.393 -0.308 20 0 CBADRP C[NH2+]CCCNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000418279148 353990430 /nfs/dbraw/zinc/99/04/30/353990430.db2.gz OIOANZOTWSVTLL-NEPJUHHUSA-N 2 0 272.393 -0.308 20 0 CBADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000418290990 353991275 /nfs/dbraw/zinc/99/12/75/353991275.db2.gz ANNMSIRSZRMZTL-CYBMUJFWSA-N 2 0 297.447 -0.031 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)NCCN1CC[NH2+]CC1 ZINC000418295064 353991368 /nfs/dbraw/zinc/99/13/68/353991368.db2.gz IEXXNUBRNYBGOQ-LBPRGKRZSA-N 2 0 271.409 -0.436 20 0 CBADRP CC[NH2+]CCNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000418320212 353992799 /nfs/dbraw/zinc/99/27/99/353992799.db2.gz UCRMONADWUVQNS-ZDUSSCGKSA-N 2 0 286.420 -0.012 20 0 CBADRP C[NH2+]CCNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000418320912 353993765 /nfs/dbraw/zinc/99/37/65/353993765.db2.gz WZYFLTRUGQTPCW-LBPRGKRZSA-N 2 0 272.393 -0.402 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000418328051 353993811 /nfs/dbraw/zinc/99/38/11/353993811.db2.gz AJXZSJWTUFHFLZ-OLZOCXBDSA-N 2 0 286.420 -0.012 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418328055 353993877 /nfs/dbraw/zinc/99/38/77/353993877.db2.gz AJXZSJWTUFHFLZ-QWHCGFSZSA-N 2 0 286.420 -0.012 20 0 CBADRP C[NH2+]CCNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000418329888 353993943 /nfs/dbraw/zinc/99/39/43/353993943.db2.gz OSGOAAYEZAQFHA-NSHDSACASA-N 2 0 272.393 -0.308 20 0 CBADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)N[C@@H]1CCC[NH2+]C1 ZINC000418375629 353994708 /nfs/dbraw/zinc/99/47/08/353994708.db2.gz FAKVZIGYDUETQM-CHWSQXEVSA-N 2 0 284.404 -0.116 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418453122 353997887 /nfs/dbraw/zinc/99/78/87/353997887.db2.gz YSANBRIOQCSKKZ-GHMZBOCLSA-N 2 0 258.366 -0.209 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418385125 353995718 /nfs/dbraw/zinc/99/57/18/353995718.db2.gz PQHAGJVTONLOGK-LLVKDONJSA-N 2 0 258.366 -0.648 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000418376212 353995906 /nfs/dbraw/zinc/99/59/06/353995906.db2.gz FWLGXGVZLRTWFT-NEPJUHHUSA-N 2 0 299.419 -0.391 20 0 CBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000418389540 353995954 /nfs/dbraw/zinc/99/59/54/353995954.db2.gz UAONRLSJQSDPOL-OLZOCXBDSA-N 2 0 284.404 -0.260 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000418389577 353996166 /nfs/dbraw/zinc/99/61/66/353996166.db2.gz OGSMJBWPWDRYKJ-UPJWGTAASA-N 2 0 286.420 -0.062 20 0 CBADRP C[C@@H](O)C(=O)N1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414705411 353963218 /nfs/dbraw/zinc/96/32/18/353963218.db2.gz LOOHFWGXKNZPSL-JHJVBQTASA-N 2 0 269.389 -0.101 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419279052 354043548 /nfs/dbraw/zinc/04/35/48/354043548.db2.gz BZBHCAWUHBIIDK-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000418426151 353998272 /nfs/dbraw/zinc/99/82/72/353998272.db2.gz LPPRBSYQHSAPPR-ZDUSSCGKSA-N 2 0 272.393 -0.130 20 0 CBADRP CC(C)(O)C[NH+]1CCN(C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000418495077 353998910 /nfs/dbraw/zinc/99/89/10/353998910.db2.gz FFRIFNGZLIWZHM-LBPRGKRZSA-N 2 0 284.404 -0.178 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000418490079 353999376 /nfs/dbraw/zinc/99/93/76/353999376.db2.gz MROUMBKYBNQVKL-CHWSQXEVSA-N 2 0 286.420 -0.027 20 0 CBADRP C[C@H](C[NH3+])NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000418509560 353999915 /nfs/dbraw/zinc/99/99/15/353999915.db2.gz GISGBKCDUASVNY-MXWKQRLJSA-N 2 0 258.366 -0.570 20 0 CBADRP C[C@H](C[NH3+])NC(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000418516476 354001261 /nfs/dbraw/zinc/00/12/61/354001261.db2.gz SFBHDFKLEGIRKH-GFCCVEGCSA-N 2 0 273.425 -0.142 20 0 CBADRP [NH3+]C[C@@H](NC(=O)NC[C@H]1C[NH2+]CCO1)C1CCCC1 ZINC000418598165 354003164 /nfs/dbraw/zinc/00/31/64/354003164.db2.gz QIKSLNXSFXZBJZ-VXGBXAGGSA-N 2 0 270.377 -0.209 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000418611141 354004443 /nfs/dbraw/zinc/00/44/43/354004443.db2.gz GVRUDCFZSIXMPO-WDEREUQCSA-N 2 0 272.393 -0.180 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000418737820 354006238 /nfs/dbraw/zinc/00/62/38/354006238.db2.gz WFSCOYVXLOETAP-TUAOUCFPSA-N 2 0 272.393 -0.180 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418680490 354006367 /nfs/dbraw/zinc/00/63/67/354006367.db2.gz XUWNMJSVPVMVBJ-GDNZZTSVSA-N 2 0 270.377 -0.576 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418767214 354007911 /nfs/dbraw/zinc/00/79/11/354007911.db2.gz NTMYABXEBUIAMH-NEPJUHHUSA-N 2 0 270.377 -0.242 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418767217 354007946 /nfs/dbraw/zinc/00/79/46/354007946.db2.gz NTMYABXEBUIAMH-RYUDHWBXSA-N 2 0 270.377 -0.242 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418765706 354007969 /nfs/dbraw/zinc/00/79/69/354007969.db2.gz MCFOUHCZJRWLOW-GFCCVEGCSA-N 2 0 272.393 -0.044 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000418763087 354008020 /nfs/dbraw/zinc/00/80/20/354008020.db2.gz JKSXJAUYEYTUBC-LBPRGKRZSA-N 2 0 270.377 -0.290 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCN2C)C[C@H]1[NH+](C)C ZINC000418770764 354008900 /nfs/dbraw/zinc/00/89/00/354008900.db2.gz VACWFBZYZKGHQJ-JHJVBQTASA-N 2 0 283.420 -0.519 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000418831411 354010500 /nfs/dbraw/zinc/01/05/00/354010500.db2.gz IXXXVTJESXLDDW-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000418835442 354011833 /nfs/dbraw/zinc/01/18/33/354011833.db2.gz NUMCNLPJLUTSRC-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000418846839 354012750 /nfs/dbraw/zinc/01/27/50/354012750.db2.gz ZGBAPZNBLUCGBS-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH3+])[C@@H]1c1ccccc1 ZINC000418912902 354015140 /nfs/dbraw/zinc/01/51/40/354015140.db2.gz RXIHJFOOFBVPCB-OLZOCXBDSA-N 2 0 290.367 -0.377 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000418916016 354015659 /nfs/dbraw/zinc/01/56/59/354015659.db2.gz QXRJAJMVHBBULJ-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC000418991437 354020044 /nfs/dbraw/zinc/02/00/44/354020044.db2.gz XSODMFFYCCKYEX-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC[NH2+]1 ZINC000418992351 354021326 /nfs/dbraw/zinc/02/13/26/354021326.db2.gz FUIDBYNRZDCJNJ-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000419000780 354021834 /nfs/dbraw/zinc/02/18/34/354021834.db2.gz OOTLRZJKXJNBOD-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP [NH3+]C[C@H](NC(=O)C(=O)NCCC[NH+]1CCCCC1)C1CC1 ZINC000419008216 354022703 /nfs/dbraw/zinc/02/27/03/354022703.db2.gz VFPUGNZZCRSFJC-ZDUSSCGKSA-N 2 0 296.415 -0.168 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000419033209 354026520 /nfs/dbraw/zinc/02/65/20/354026520.db2.gz YFEPTQHKKQZHIT-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCC[NH3+])C1 ZINC000419046180 354026579 /nfs/dbraw/zinc/02/65/79/354026579.db2.gz PFZJQRIFLLIUDE-LLVKDONJSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419080739 354027522 /nfs/dbraw/zinc/02/75/22/354027522.db2.gz QFMCJNRPRWOAQE-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419083622 354027562 /nfs/dbraw/zinc/02/75/62/354027562.db2.gz XAPMLILZFDQDSF-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000419100690 354028882 /nfs/dbraw/zinc/02/88/82/354028882.db2.gz JEJTVSHUFSUVIU-AAEUAGOBSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)NCC[NH3+])C(C)(C)C ZINC000419131205 354029694 /nfs/dbraw/zinc/02/96/94/354029694.db2.gz GJVLDTIHNRNYHN-JTQLQIEISA-N 2 0 272.393 -0.456 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000419133676 354030399 /nfs/dbraw/zinc/03/03/99/354030399.db2.gz GHZACBVNPQPQRL-WDEREUQCSA-N 2 0 280.372 -0.840 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000419131981 354030453 /nfs/dbraw/zinc/03/04/53/354030453.db2.gz FFVKRNKNOLTKGQ-AGIUHOORSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000419133155 354030665 /nfs/dbraw/zinc/03/06/65/354030665.db2.gz GJOSEDMMFIYZOE-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419281806 354043347 /nfs/dbraw/zinc/04/33/47/354043347.db2.gz HCHOFBLYAUPBKY-LLVKDONJSA-N 2 0 272.393 -0.360 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419153673 354033277 /nfs/dbraw/zinc/03/32/77/354033277.db2.gz PVFOWDTYKHLQCL-LLVKDONJSA-N 2 0 286.420 -0.114 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000419155811 354033762 /nfs/dbraw/zinc/03/37/62/354033762.db2.gz UPTRQVXXZYJFOP-NWDGAFQWSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CC[NH2+]1 ZINC000419155868 354033862 /nfs/dbraw/zinc/03/38/62/354033862.db2.gz IVBXVGTVDYIWIH-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]1 ZINC000419159512 354034040 /nfs/dbraw/zinc/03/40/40/354034040.db2.gz ZKABQYJMYUFLFC-WDEREUQCSA-N 2 0 280.372 -0.840 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])[NH+]1CCC(C)CC1 ZINC000419156370 354034121 /nfs/dbraw/zinc/03/41/21/354034121.db2.gz JOLMWYFWLXAFBN-NWDGAFQWSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000419156369 354034211 /nfs/dbraw/zinc/03/42/11/354034211.db2.gz JOLMWYFWLXAFBN-NEPJUHHUSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCC[NH3+])[NH+]1CCC(C)CC1 ZINC000419160998 354034334 /nfs/dbraw/zinc/03/43/34/354034334.db2.gz RCAYWVDHJGWVMM-NSHDSACASA-N 2 0 270.377 -0.702 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000419172457 354035285 /nfs/dbraw/zinc/03/52/85/354035285.db2.gz QZVIXDQTAIWGHR-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000419166203 354035665 /nfs/dbraw/zinc/03/56/65/354035665.db2.gz HFNNAVQGYURNFS-LBPRGKRZSA-N 2 0 284.404 -0.441 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000419171571 354035672 /nfs/dbraw/zinc/03/56/72/354035672.db2.gz PFPALPVBXTWZSJ-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419215566 354037261 /nfs/dbraw/zinc/03/72/61/354037261.db2.gz ABXBSPHIWLZSPX-ZDUSSCGKSA-N 2 0 294.399 -0.377 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000419224844 354038013 /nfs/dbraw/zinc/03/80/13/354038013.db2.gz NUQKZFAKWUAKHN-ZDUSSCGKSA-N 2 0 296.415 -0.274 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CCC1 ZINC000419220067 354038438 /nfs/dbraw/zinc/03/84/38/354038438.db2.gz BBXDRNGSYXMIIU-LLVKDONJSA-N 2 0 282.388 -0.560 20 0 CBADRP [NH3+]CCCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419224959 354039114 /nfs/dbraw/zinc/03/91/14/354039114.db2.gz GIJWIPNWDLUNIE-ZDUSSCGKSA-N 2 0 296.415 -0.168 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000419227937 354039318 /nfs/dbraw/zinc/03/93/18/354039318.db2.gz UCOBSIYKZIOJMF-UHFFFAOYSA-N 2 0 294.399 -0.424 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000419554676 354061806 /nfs/dbraw/zinc/06/18/06/354061806.db2.gz ICLKTGHIIQVXRG-GRYCIOLGSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)C[C@@H]1[NH3+] ZINC000419562756 354061853 /nfs/dbraw/zinc/06/18/53/354061853.db2.gz VOXPFMWFVHZRDN-NOOOWODRSA-N 2 0 282.388 -0.609 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000419553293 354061860 /nfs/dbraw/zinc/06/18/60/354061860.db2.gz YMZVNQAUMLEIPH-GHMZBOCLSA-N 2 0 286.420 -0.116 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000419566010 354062133 /nfs/dbraw/zinc/06/21/33/354062133.db2.gz ZJGQLTGGAMJWNI-AGIUHOORSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419575745 354062812 /nfs/dbraw/zinc/06/28/12/354062812.db2.gz BCRRLFYUTYDLLW-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CCC[N@@H+]1C ZINC000419563766 354062871 /nfs/dbraw/zinc/06/28/71/354062871.db2.gz WWQMKZNZWLFUNB-USWWRNFRSA-N 2 0 282.388 -0.561 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419577371 354063300 /nfs/dbraw/zinc/06/33/00/354063300.db2.gz CYVCPKRDYVBXMC-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000419584464 354063632 /nfs/dbraw/zinc/06/36/32/354063632.db2.gz KVBOVYXNCDLOQH-MNOVXSKESA-N 2 0 282.388 -0.594 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419578548 354063739 /nfs/dbraw/zinc/06/37/39/354063739.db2.gz FCGZJWOQENOMPR-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419577885 354063884 /nfs/dbraw/zinc/06/38/84/354063884.db2.gz DFUWSJGYTGNZLP-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419578055 354064098 /nfs/dbraw/zinc/06/40/98/354064098.db2.gz DTVJKOJXDFRNBD-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000419585263 354064249 /nfs/dbraw/zinc/06/42/49/354064249.db2.gz LWBCQIWODZHVKK-DGCLKSJQSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419577879 354064258 /nfs/dbraw/zinc/06/42/58/354064258.db2.gz DFUWSJGYTGNZLP-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[N@H+](C)C1CC1 ZINC000419590817 354064888 /nfs/dbraw/zinc/06/48/88/354064888.db2.gz QLTOZZWVBUPBAL-GHMZBOCLSA-N 2 0 282.388 -0.594 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419595451 354064979 /nfs/dbraw/zinc/06/49/79/354064979.db2.gz WVWZJIDVAQSXFY-GFCCVEGCSA-N 2 0 296.415 -0.025 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)[N@H+](C)C1CC1 ZINC000419591446 354065181 /nfs/dbraw/zinc/06/51/81/354065181.db2.gz RCXHDZXANKAGIQ-IJLUTSLNSA-N 2 0 296.415 -0.219 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419586304 354065288 /nfs/dbraw/zinc/06/52/88/354065288.db2.gz MTCCJHYHFBRRMK-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[N@H+](C)C1CC1 ZINC000419594222 354065468 /nfs/dbraw/zinc/06/54/68/354065468.db2.gz UNRBEROGFKKYCA-WDEREUQCSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000419590903 354065670 /nfs/dbraw/zinc/06/56/70/354065670.db2.gz QUKZTBRORVYRGE-NXEZZACHSA-N 2 0 270.377 -0.704 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000419669268 354068434 /nfs/dbraw/zinc/06/84/34/354068434.db2.gz VECWGPBNGWWOSY-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000419694286 354069775 /nfs/dbraw/zinc/06/97/75/354069775.db2.gz KFWCEXWHRVDAME-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NCCC[NH3+])C1CCCC1 ZINC000419692827 354070312 /nfs/dbraw/zinc/07/03/12/354070312.db2.gz HTTIBCZKUTUWGI-UHFFFAOYSA-N 2 0 270.377 -0.558 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419692822 354070408 /nfs/dbraw/zinc/07/04/08/354070408.db2.gz HRDGNIYUTXTDGN-RYUDHWBXSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419690806 354070488 /nfs/dbraw/zinc/07/04/88/354070488.db2.gz CROJIOGHAQVGSB-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H](CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[NH+]1CCCCC1 ZINC000419716760 354071217 /nfs/dbraw/zinc/07/12/17/354071217.db2.gz SAXTXIRHNPNVEI-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000419700617 354071497 /nfs/dbraw/zinc/07/14/97/354071497.db2.gz XUDSSVAZZRNEHG-VXGBXAGGSA-N 2 0 294.399 -0.321 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000419719343 354072150 /nfs/dbraw/zinc/07/21/50/354072150.db2.gz CJNNCAFWTPWJOZ-ZYHUDNBSSA-N 2 0 282.388 -0.417 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419720569 354072233 /nfs/dbraw/zinc/07/22/33/354072233.db2.gz FTEJVBCKNFHNMN-JTQLQIEISA-N 2 0 258.366 -0.845 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000419721355 354072957 /nfs/dbraw/zinc/07/29/57/354072957.db2.gz GXXPLKVZDRHPQI-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000419734155 354073780 /nfs/dbraw/zinc/07/37/80/354073780.db2.gz OVBCCOCCPRJREN-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419729675 354073903 /nfs/dbraw/zinc/07/39/03/354073903.db2.gz IIPUMQPGCFBFKT-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000419734159 354073940 /nfs/dbraw/zinc/07/39/40/354073940.db2.gz OVBCCOCCPRJREN-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419734280 354074004 /nfs/dbraw/zinc/07/40/04/354074004.db2.gz PBWLTLQWCXWQCE-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419730473 354074226 /nfs/dbraw/zinc/07/42/26/354074226.db2.gz JWSQKOVRIMOFKR-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419741286 354074659 /nfs/dbraw/zinc/07/46/59/354074659.db2.gz YYNCYPVGVMHWJP-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419758165 354074942 /nfs/dbraw/zinc/07/49/42/354074942.db2.gz DPQRUCKDBJTVDY-LLVKDONJSA-N 2 0 272.393 -0.455 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000419740898 354075098 /nfs/dbraw/zinc/07/50/98/354075098.db2.gz YOJXXTFHFDGDTE-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419766609 354075782 /nfs/dbraw/zinc/07/57/82/354075782.db2.gz RTLUSTLEGVZCBS-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419780765 354077658 /nfs/dbraw/zinc/07/76/58/354077658.db2.gz MZKWIDJUXVMDSH-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000419780906 354077732 /nfs/dbraw/zinc/07/77/32/354077732.db2.gz NHRQGQHBVRVDHQ-YNEHKIRRSA-N 2 0 298.431 -0.053 20 0 CBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419780239 354077740 /nfs/dbraw/zinc/07/77/40/354077740.db2.gz QNOYFHMEDJRNOE-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)CC[NH3+] ZINC000419774791 354077787 /nfs/dbraw/zinc/07/77/87/354077787.db2.gz IFHYIYSNIDQHOF-SNVBAGLBSA-N 2 0 258.366 -0.750 20 0 CBADRP CC(C)[NH+](CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1)C(C)C ZINC000419798722 354078469 /nfs/dbraw/zinc/07/84/69/354078469.db2.gz YDIPOGQSWYNMPB-LBPRGKRZSA-N 2 0 284.404 -0.219 20 0 CBADRP CC(C)[NH+](CCNC(=O)C(=O)N[C@H](C)C[NH3+])C(C)C ZINC000419795714 354078559 /nfs/dbraw/zinc/07/85/59/354078559.db2.gz LFRXYGPYKMIPGP-LLVKDONJSA-N 2 0 272.393 -0.315 20 0 CBADRP [NH3+]CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000419814162 354079188 /nfs/dbraw/zinc/07/91/88/354079188.db2.gz HXNFGTSZWSINGE-GFCCVEGCSA-N 2 0 282.388 -0.462 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000419821058 354080160 /nfs/dbraw/zinc/08/01/60/354080160.db2.gz KRSAFZTVZRQSIB-FRRDWIJNSA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)[NH+](CCN(C)C(=O)C(=O)NCC[NH3+])C(C)C ZINC000419822267 354080224 /nfs/dbraw/zinc/08/02/24/354080224.db2.gz WAIQTKDZEWLQJJ-UHFFFAOYSA-N 2 0 272.393 -0.362 20 0 CBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCC[NH3+] ZINC000419826569 354081270 /nfs/dbraw/zinc/08/12/70/354081270.db2.gz AMHSMHKNYSRRPF-UHFFFAOYSA-N 2 0 284.404 -0.214 20 0 CBADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCC[NH3+] ZINC000419830188 354081449 /nfs/dbraw/zinc/08/14/49/354081449.db2.gz FSFQFKXQMQPHTI-UHFFFAOYSA-N 2 0 298.412 -0.287 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419837670 354081896 /nfs/dbraw/zinc/08/18/96/354081896.db2.gz XBHPEQHQRJACIV-AVGNSLFASA-N 2 0 294.399 -0.402 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419837672 354082563 /nfs/dbraw/zinc/08/25/63/354082563.db2.gz XBHPEQHQRJACIV-XQQFMLRXSA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000419837169 354082566 /nfs/dbraw/zinc/08/25/66/354082566.db2.gz WHRVQLZQQNQFOJ-STQMWFEESA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCCC[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000419841794 354082911 /nfs/dbraw/zinc/08/29/11/354082911.db2.gz UTZWGXZYMFPOHA-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCCC[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000419841787 354083250 /nfs/dbraw/zinc/08/32/50/354083250.db2.gz UTZWGXZYMFPOHA-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[NH2+]C ZINC000419841611 354083300 /nfs/dbraw/zinc/08/33/00/354083300.db2.gz GLFTWSPKIVCHPB-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000419856600 354085629 /nfs/dbraw/zinc/08/56/29/354085629.db2.gz SNFYARAYGXDNOT-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419861247 354086051 /nfs/dbraw/zinc/08/60/51/354086051.db2.gz LSNAHGGINIAFEB-GFCCVEGCSA-N 2 0 284.404 -0.312 20 0 CBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419861210 354086565 /nfs/dbraw/zinc/08/65/65/354086565.db2.gz LPCXGYJIDRAFCW-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000419864516 354086606 /nfs/dbraw/zinc/08/66/06/354086606.db2.gz DPTFXBQVYCMPSH-UHFFFAOYSA-N 2 0 272.393 -0.489 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419285503 354044074 /nfs/dbraw/zinc/04/40/74/354044074.db2.gz MNDNVIBPYYBPKL-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419292361 354044615 /nfs/dbraw/zinc/04/46/15/354044615.db2.gz YMCRGGPKKGGATF-GFCCVEGCSA-N 2 0 286.420 -0.066 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N(C)CC[NH3+] ZINC000419289989 354044876 /nfs/dbraw/zinc/04/48/76/354044876.db2.gz UQMQWVUPGMMMRU-UHFFFAOYSA-N 2 0 258.366 -0.748 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419285498 354044920 /nfs/dbraw/zinc/04/49/20/354044920.db2.gz MNDNVIBPYYBPKL-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C[N@@H+]1C1CC1 ZINC000419316928 354045483 /nfs/dbraw/zinc/04/54/83/354045483.db2.gz MJDWSOAKMJBNEO-XWIASGKRSA-N 2 0 294.399 -0.419 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000419316671 354045957 /nfs/dbraw/zinc/04/59/57/354045957.db2.gz LOWDFFROQGDGNG-SRVKXCTJSA-N 2 0 294.399 -0.452 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419333494 354046826 /nfs/dbraw/zinc/04/68/26/354046826.db2.gz MGDOFNUKSBUJBS-GMXVVIOVSA-N 2 0 294.399 -0.594 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419333987 354047271 /nfs/dbraw/zinc/04/72/71/354047271.db2.gz MUSXMJZPCCXYOK-PWSUYJOCSA-N 2 0 280.372 -0.983 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000419322900 354047383 /nfs/dbraw/zinc/04/73/83/354047383.db2.gz SYTYYAOASWUPIH-UTUOFQBUSA-N 2 0 294.399 -0.404 20 0 CBADRP CC(C)[C@@H](CNC(=O)C(=O)NCC[NH3+])[NH+]1CCC(C)CC1 ZINC000419372018 354049237 /nfs/dbraw/zinc/04/92/37/354049237.db2.gz MAWOIKALGPPPJG-CYBMUJFWSA-N 2 0 298.431 -0.066 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)C(C)C ZINC000419871979 354087323 /nfs/dbraw/zinc/08/73/23/354087323.db2.gz TYEYSNUHLWEBHY-GFCCVEGCSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419402690 354051546 /nfs/dbraw/zinc/05/15/46/354051546.db2.gz CVPGDRACMIKZSP-QWHCGFSZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419409622 354052473 /nfs/dbraw/zinc/05/24/73/354052473.db2.gz NFRYIYQMUVTYNY-OLZOCXBDSA-N 2 0 298.431 -0.194 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000419408867 354052501 /nfs/dbraw/zinc/05/25/01/354052501.db2.gz MFUVFCYVMHEBME-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)NCCC[NH3+])CC1 ZINC000419408880 354052564 /nfs/dbraw/zinc/05/25/64/354052564.db2.gz MHXOLJSJACAWPN-UHFFFAOYSA-N 2 0 270.377 -0.701 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419419087 354053046 /nfs/dbraw/zinc/05/30/46/354053046.db2.gz YVRZDFDOABPREJ-OLZOCXBDSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419415206 354053103 /nfs/dbraw/zinc/05/31/03/354053103.db2.gz UWVHNXZSZYVUNN-VXGBXAGGSA-N 2 0 284.404 -0.455 20 0 CBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NCC[NH3+])C1 ZINC000419474093 354055087 /nfs/dbraw/zinc/05/50/87/354055087.db2.gz BMMMIESPCVYNIQ-CHWSQXEVSA-N 2 0 298.431 -0.064 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419509200 354056827 /nfs/dbraw/zinc/05/68/27/354056827.db2.gz DODHTFQDFQOLKK-MNOVXSKESA-N 2 0 272.393 -0.456 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419529436 354058168 /nfs/dbraw/zinc/05/81/68/354058168.db2.gz XTBIXCFVZGZPEH-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419526950 354058480 /nfs/dbraw/zinc/05/84/80/354058480.db2.gz ULWZHARJWQWGHU-MNOVXSKESA-N 2 0 272.393 -0.362 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419524562 354058531 /nfs/dbraw/zinc/05/85/31/354058531.db2.gz QFQDXTIHNAUWMR-JQWIXIFHSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000419526355 354058606 /nfs/dbraw/zinc/05/86/06/354058606.db2.gz STNRKFGXZFICAX-FRRDWIJNSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)C1CC1 ZINC000419524516 354058638 /nfs/dbraw/zinc/05/86/38/354058638.db2.gz PXJBHOHSFVXLHY-SNVBAGLBSA-N 2 0 268.361 -0.854 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419524934 354058843 /nfs/dbraw/zinc/05/88/43/354058843.db2.gz QPNOGXDGUUSHHI-RWMBFGLXSA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)C(C)(C)C[NH+](C)C ZINC000419544377 354060523 /nfs/dbraw/zinc/06/05/23/354060523.db2.gz LGBLCEAOHHNIJJ-CMPLNLGQSA-N 2 0 298.431 -0.068 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419874071 354087698 /nfs/dbraw/zinc/08/76/98/354087698.db2.gz VTYOVNXIVBLYMH-GFCCVEGCSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CCC[N@@H+]1C ZINC000419543756 354060592 /nfs/dbraw/zinc/06/05/92/354060592.db2.gz GRLVFJTZQOAHMZ-UPJWGTAASA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000419547750 354060613 /nfs/dbraw/zinc/06/06/13/354060613.db2.gz QGHBADKEXZRCFC-NWDGAFQWSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C(C)(C)C[NH+](C)C ZINC000419553302 354061015 /nfs/dbraw/zinc/06/10/15/354061015.db2.gz YMZVNQAUMLEIPH-WDEREUQCSA-N 2 0 286.420 -0.116 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000419557091 354061265 /nfs/dbraw/zinc/06/12/65/354061265.db2.gz LUKMAYHZFYDTOM-CYDGBPFRSA-N 2 0 296.415 -0.158 20 0 CBADRP CCCCN(C)S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420463080 354129910 /nfs/dbraw/zinc/12/99/10/354129910.db2.gz WCWCJFGHVGJCAY-UHFFFAOYSA-N 2 0 280.438 -0.037 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419887258 354089544 /nfs/dbraw/zinc/08/95/44/354089544.db2.gz DEXKYOOSKYZYIP-STQMWFEESA-N 2 0 296.415 -0.204 20 0 CBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC[NH2+]CC)C1 ZINC000419887827 354089600 /nfs/dbraw/zinc/08/96/00/354089600.db2.gz JHHZYYINQCCGSU-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419888509 354089919 /nfs/dbraw/zinc/08/99/19/354089919.db2.gz FVRPEGCKGTWMQX-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000419893338 354090844 /nfs/dbraw/zinc/09/08/44/354090844.db2.gz PSMPOSHQBUEFPJ-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000419897893 354091947 /nfs/dbraw/zinc/09/19/47/354091947.db2.gz WMSORNCPVFMGKF-GFCCVEGCSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419932018 354094421 /nfs/dbraw/zinc/09/44/21/354094421.db2.gz DECYIKQBQGCQDF-NEPJUHHUSA-N 2 0 286.420 -0.195 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419949622 354096656 /nfs/dbraw/zinc/09/66/56/354096656.db2.gz LLQJFFOYWFIKIP-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000419957292 354097226 /nfs/dbraw/zinc/09/72/26/354097226.db2.gz OXSHQNNRAHQCLR-LLVKDONJSA-N 2 0 272.393 -0.504 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000419964375 354098094 /nfs/dbraw/zinc/09/80/94/354098094.db2.gz XHGINQWMSUHSML-OLZOCXBDSA-N 2 0 298.431 -0.064 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000419993380 354101200 /nfs/dbraw/zinc/10/12/00/354101200.db2.gz IKZAGBOUSZACIV-GFCCVEGCSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000420020997 354102923 /nfs/dbraw/zinc/10/29/23/354102923.db2.gz GRGPEWNTXIFGKK-QJPTWQEYSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000420021005 354102951 /nfs/dbraw/zinc/10/29/51/354102951.db2.gz GRGPEWNTXIFGKK-UTUOFQBUSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000420021106 354103314 /nfs/dbraw/zinc/10/33/14/354103314.db2.gz UALRVIBLLUNRPC-NWDGAFQWSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)C(C)C ZINC000420065385 354106958 /nfs/dbraw/zinc/10/69/58/354106958.db2.gz PQTTYEFGKVSDCO-GFCCVEGCSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420072971 354107219 /nfs/dbraw/zinc/10/72/19/354107219.db2.gz GBQKOGZKWVCZTM-UHFFFAOYSA-N 2 0 272.393 -0.312 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000420137243 354110728 /nfs/dbraw/zinc/11/07/28/354110728.db2.gz DLDVRLDTZNKTGB-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP OCC[N@H+](CCOCC(F)(F)F)CCN1CC[NH2+]CC1 ZINC000420303880 354121945 /nfs/dbraw/zinc/12/19/45/354121945.db2.gz NVJXJVFRFVPYMA-UHFFFAOYSA-N 2 0 299.337 -0.235 20 0 CBADRP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420318657 354122400 /nfs/dbraw/zinc/12/24/00/354122400.db2.gz OIGQRNQZLKYFTD-GHMZBOCLSA-N 2 0 263.407 -0.015 20 0 CBADRP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321574 354122978 /nfs/dbraw/zinc/12/29/78/354122978.db2.gz CXCCWKFAGZBLCU-CHWSQXEVSA-N 2 0 297.399 -0.013 20 0 CBADRP O=C1CNCCN1[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420309642 354123021 /nfs/dbraw/zinc/12/30/21/354123021.db2.gz OYEZOYFQLLKQBE-UONOGXRCSA-N 2 0 280.416 -0.118 20 0 CBADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCNC(=O)C1 ZINC000420345920 354124135 /nfs/dbraw/zinc/12/41/35/354124135.db2.gz WVXDKIMSGLYJTC-CHWSQXEVSA-N 2 0 294.399 -0.734 20 0 CBADRP C[N@H+](CCC(=O)NC(=O)Nc1ccccc1)C[C@@H](O)C[NH3+] ZINC000420349677 354124192 /nfs/dbraw/zinc/12/41/92/354124192.db2.gz DOXGKIARKMIURL-LBPRGKRZSA-N 2 0 294.355 -0.024 20 0 CBADRP COC(=O)[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000420363640 354125218 /nfs/dbraw/zinc/12/52/18/354125218.db2.gz PPTSMGOULFORCT-GFCCVEGCSA-N 2 0 283.372 -0.307 20 0 CBADRP C[NH2+]CCC[N@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000420393691 354126322 /nfs/dbraw/zinc/12/63/22/354126322.db2.gz QQMROHZVSNJRCS-UHFFFAOYSA-N 2 0 256.394 -0.308 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000423233865 354165848 /nfs/dbraw/zinc/16/58/48/354165848.db2.gz KPSCQFJNUFAYIW-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)C[C@@H]1[NH3+] ZINC000423232998 354166001 /nfs/dbraw/zinc/16/60/01/354166001.db2.gz DAMBNIQKEFYXIQ-WOPDTQHZSA-N 2 0 282.388 -0.655 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423494734 354177802 /nfs/dbraw/zinc/17/78/02/354177802.db2.gz DIFRSIFLMJUQIC-NSHDSACASA-N 2 0 270.377 -0.655 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)CC[NH2+]1 ZINC000423299026 354167908 /nfs/dbraw/zinc/16/79/08/354167908.db2.gz BHPUGFCHVIHMRY-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000423363877 354172509 /nfs/dbraw/zinc/17/25/09/354172509.db2.gz CBGFGJIRJUXNMT-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000423394070 354174786 /nfs/dbraw/zinc/17/47/86/354174786.db2.gz ZLAGWKBZVWXQBH-NWDGAFQWSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000423405791 354174796 /nfs/dbraw/zinc/17/47/96/354174796.db2.gz ZRQSRZWIQGBGCD-GFCCVEGCSA-N 2 0 284.404 -0.264 20 0 CBADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N(C)CC[NH3+])C(C)C ZINC000423414763 354175685 /nfs/dbraw/zinc/17/56/85/354175685.db2.gz NXZFPPKQHQAGLZ-UHFFFAOYSA-N 2 0 286.420 -0.019 20 0 CBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423437191 354176585 /nfs/dbraw/zinc/17/65/85/354176585.db2.gz TZHLKYMOQOBLHX-ZDUSSCGKSA-N 2 0 296.415 -0.120 20 0 CBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000422699663 354151560 /nfs/dbraw/zinc/15/15/60/354151560.db2.gz AXUGAKVWGCWIMY-AWEZNQCLSA-N 2 0 298.431 -0.493 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000422976088 354158356 /nfs/dbraw/zinc/15/83/56/354158356.db2.gz UOEAJAOOHOKFST-RYUDHWBXSA-N 2 0 282.388 -0.608 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000422970867 354158434 /nfs/dbraw/zinc/15/84/34/354158434.db2.gz HHOFYQXMHVPYMW-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000422965690 354158668 /nfs/dbraw/zinc/15/86/68/354158668.db2.gz PKYDFHZXWOFIPJ-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC000423063086 354161403 /nfs/dbraw/zinc/16/14/03/354161403.db2.gz OIMMLRPLFJEJMB-LLVKDONJSA-N 2 0 270.377 -0.783 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423121208 354162809 /nfs/dbraw/zinc/16/28/09/354162809.db2.gz IGIFVNYRYFPJNB-OLZOCXBDSA-N 2 0 296.415 -0.264 20 0 CBADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423184811 354164695 /nfs/dbraw/zinc/16/46/95/354164695.db2.gz NKRAATYLJKEXKS-UHFFFAOYSA-N 2 0 296.415 -0.392 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000423198247 354164780 /nfs/dbraw/zinc/16/47/80/354164780.db2.gz DVJTUCPOTUGVIE-LBPRGKRZSA-N 2 0 282.388 -0.510 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000423556693 354179603 /nfs/dbraw/zinc/17/96/03/354179603.db2.gz KIWSYCAMVRGQIT-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000423606903 354183588 /nfs/dbraw/zinc/18/35/88/354183588.db2.gz LVIKPLGVPSGIAA-NWDGAFQWSA-N 2 0 282.388 -0.641 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000423611652 354184725 /nfs/dbraw/zinc/18/47/25/354184725.db2.gz SLRQSQKBLBUBOY-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)[C@@H](C)C[NH2+]1 ZINC000423626017 354186745 /nfs/dbraw/zinc/18/67/45/354186745.db2.gz FCSIHRHKLSOXCG-FRRDWIJNSA-N 2 0 296.415 -0.395 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000423645575 354188520 /nfs/dbraw/zinc/18/85/20/354188520.db2.gz YVGAMOYITSBSBM-WDEREUQCSA-N 2 0 270.377 -0.785 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1COCCN1C1CCCC1 ZINC000423663394 354190137 /nfs/dbraw/zinc/19/01/37/354190137.db2.gz GCZFJEPMTWFHBI-UBHSHLNASA-N 2 0 297.399 -0.674 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC[NH2+]1 ZINC000423694538 354191782 /nfs/dbraw/zinc/19/17/82/354191782.db2.gz GERLXOCMQBMGNP-IUODEOHRSA-N 2 0 294.399 -0.639 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000423715851 354192952 /nfs/dbraw/zinc/19/29/52/354192952.db2.gz HUQGSMAHEUFHOW-QWRGUYRKSA-N 2 0 270.377 -0.655 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000423708581 354193291 /nfs/dbraw/zinc/19/32/91/354193291.db2.gz HDTDYOZTAWUAJG-UHFFFAOYSA-N 2 0 282.388 -0.462 20 0 CBADRP CCC[C@H](C(=O)NC[C@H]1C[NH2+]CCN1C)[NH+](C)C ZINC000423724899 354193730 /nfs/dbraw/zinc/19/37/30/354193730.db2.gz RXYRATAQKLZYDX-VXGBXAGGSA-N 2 0 256.394 -0.264 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423727204 354194254 /nfs/dbraw/zinc/19/42/54/354194254.db2.gz QTANVGSASGFHMH-NWDGAFQWSA-N 2 0 282.388 -0.511 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000423728043 354194880 /nfs/dbraw/zinc/19/48/80/354194880.db2.gz VRTSVTGZZOIBIJ-LLVKDONJSA-N 2 0 277.372 -0.219 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000423744592 354196092 /nfs/dbraw/zinc/19/60/92/354196092.db2.gz OKPFIEQPZUEOQE-CYBMUJFWSA-N 2 0 287.404 -0.208 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000423850537 354201775 /nfs/dbraw/zinc/20/17/75/354201775.db2.gz QGVNGPKZJLJOMN-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423850538 354202086 /nfs/dbraw/zinc/20/20/86/354202086.db2.gz QGVNGPKZJLJOMN-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423839882 354202096 /nfs/dbraw/zinc/20/20/96/354202096.db2.gz DEJSSVWREVSJGK-GFCCVEGCSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NC(C)(C)CC[NH3+])CC1=O ZINC000424049706 354207959 /nfs/dbraw/zinc/20/79/59/354207959.db2.gz YEFIHOCGICSVGA-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])C[NH+]1CCN(C)CC1 ZINC000424159127 354212026 /nfs/dbraw/zinc/21/20/26/354212026.db2.gz UVNIRQYWFNBHLU-UTUOFQBUSA-N 2 0 254.378 -0.667 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424169025 354213161 /nfs/dbraw/zinc/21/31/61/354213161.db2.gz GPWPECCJSLHPBM-MCIONIFRSA-N 2 0 280.416 -0.038 20 0 CBADRP O=C(NC[C@@H]1CCNCC1(F)F)[C@H]1COCCN1 ZINC000424166215 354213206 /nfs/dbraw/zinc/21/32/06/354213206.db2.gz GOAJVVHYBRGGDH-DTWKUNHWSA-N 2 0 263.288 -0.664 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424177115 354215717 /nfs/dbraw/zinc/21/57/17/354215717.db2.gz PLXUSHPWXVJXFV-ZJUUUORDSA-N 2 0 266.349 -0.330 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000427854453 354245425 /nfs/dbraw/zinc/24/54/25/354245425.db2.gz AVXBAKIMWCOKGH-UWVGGRQHSA-N 2 0 254.334 -0.532 20 0 CBADRP CN(C(=O)[C@@H]1C[NH2+]CCO1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000430901466 354250769 /nfs/dbraw/zinc/25/07/69/354250769.db2.gz USKLPKBIUDVLIY-RYUDHWBXSA-N 2 0 253.346 -0.330 20 0 CBADRP CN(CC[N@H+](C)CCC(=O)NC(N)=O)C1CC[NH+](C)CC1 ZINC000431001808 354251518 /nfs/dbraw/zinc/25/15/18/354251518.db2.gz LEEMSEVOOGPDBR-UHFFFAOYSA-N 2 0 299.419 -0.471 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000431013214 354251619 /nfs/dbraw/zinc/25/16/19/354251619.db2.gz HWKVZCCIMGWZOO-OLZOCXBDSA-N 2 0 270.421 -0.158 20 0 CBADRP C[C@H](CN1CCOCC1)N(C)CC(=O)N1CCN(C)CC1 ZINC000434700659 354254116 /nfs/dbraw/zinc/25/41/16/354254116.db2.gz ASYNEWMUTNNXCP-CQSZACIVSA-N 2 0 298.431 -0.587 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[C@]12CC[NH2+]C2)C[NH+]1CCN(C)CC1 ZINC000444264049 354266615 /nfs/dbraw/zinc/26/66/15/354266615.db2.gz BSIZCCMCCBBMGJ-FMKPAKJESA-N 2 0 294.443 -0.014 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444174535 354263102 /nfs/dbraw/zinc/26/31/02/354263102.db2.gz HDDRIJNSMANZCX-XUJVJEKNSA-N 2 0 294.399 -0.558 20 0 CBADRP COCC(C)(C)[NH+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000424216551 354219574 /nfs/dbraw/zinc/21/95/74/354219574.db2.gz ISNGZZZMPDPEIQ-ZDUSSCGKSA-N 2 0 299.415 -0.066 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424239958 354220930 /nfs/dbraw/zinc/22/09/30/354220930.db2.gz OUMDSYHTORKWSD-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP Cc1cc(C[NH3+])cc(NC(=O)CNC(=O)C[NH3+])c1 ZINC000424247314 354221755 /nfs/dbraw/zinc/22/17/55/354221755.db2.gz UEMBLKNWYURKCY-UHFFFAOYSA-N 2 0 250.302 -0.533 20 0 CBADRP C[NH2+]CCNC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000424470317 354224768 /nfs/dbraw/zinc/22/47/68/354224768.db2.gz AXOHBYBDNMKQHZ-UHFFFAOYSA-N 2 0 272.393 -0.042 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424477003 354225441 /nfs/dbraw/zinc/22/54/41/354225441.db2.gz KWUIRMQXSVZTGY-YNEHKIRRSA-N 2 0 294.403 -0.161 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424482846 354226448 /nfs/dbraw/zinc/22/64/48/354226448.db2.gz VLYBMPGLPGEKOD-KGYLQXTDSA-N 2 0 294.403 -0.146 20 0 CBADRP C[C@H]1C[NH+](CCCNC(=O)[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000446281753 354286009 /nfs/dbraw/zinc/28/60/09/354286009.db2.gz NSVOZJONNRLVKW-AVGNSLFASA-N 2 0 285.388 -0.410 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)N1CC[NH+](C)CC1 ZINC000446374935 354286571 /nfs/dbraw/zinc/28/65/71/354286571.db2.gz RBRIEIUWHKSFSL-GRYCIOLGSA-N 2 0 272.368 -0.562 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446361988 354286665 /nfs/dbraw/zinc/28/66/65/354286665.db2.gz DTPAGPRAECQGDO-SDDRHHMPSA-N 2 0 272.368 -0.562 20 0 CBADRP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000446364135 354286694 /nfs/dbraw/zinc/28/66/94/354286694.db2.gz QEAOWPMILYLEAZ-RWMBFGLXSA-N 2 0 285.363 -0.133 20 0 CBADRP C[C@@H]1CN([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C[C@H](C)[N@H+]1C ZINC000448554651 354315497 /nfs/dbraw/zinc/31/54/97/354315497.db2.gz IJMBFQFRUZJFCJ-XQQFMLRXSA-N 2 0 296.415 -0.300 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000449694599 354321976 /nfs/dbraw/zinc/32/19/76/354321976.db2.gz HESYVUWBMHMJAG-QWHCGFSZSA-N 2 0 268.405 -0.119 20 0 CBADRP CC[N@H+](C)CCNC(=O)NCCOCC[NH+](C)C ZINC000471664468 354403488 /nfs/dbraw/zinc/40/34/88/354403488.db2.gz VLTUFIHBILVWJE-UHFFFAOYSA-N 2 0 260.382 -0.185 20 0 CBADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479303361 354407492 /nfs/dbraw/zinc/40/74/92/354407492.db2.gz WSZYDKIQQXMSQB-CYZMBNFOSA-N 2 0 267.373 -0.158 20 0 CBADRP C[C@H]1CN(CCNC(=O)/C=C\C[NH+](C)C)CCO1 ZINC000491869347 354461207 /nfs/dbraw/zinc/46/12/07/354461207.db2.gz NHZANNYWTPIJPS-RXNFCKPNSA-N 2 0 255.362 -0.059 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000514671886 354555214 /nfs/dbraw/zinc/55/52/14/354555214.db2.gz IMSWKFZIMAIWSM-CYBMUJFWSA-N 2 0 296.415 -0.344 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000515828803 354555907 /nfs/dbraw/zinc/55/59/07/354555907.db2.gz WENUALLPZUBHAX-BETUJISGSA-N 2 0 294.399 -0.782 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000516572520 354557058 /nfs/dbraw/zinc/55/70/58/354557058.db2.gz KIQHMVMVXDZPGB-DCAQKATOSA-N 2 0 271.361 -0.182 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccc(C[NH3+])cc1 ZINC000518532113 354558920 /nfs/dbraw/zinc/55/89/20/354558920.db2.gz WGBFZZDITIQGPC-CYBMUJFWSA-N 2 0 262.357 -0.221 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000518768574 354559784 /nfs/dbraw/zinc/55/97/84/354559784.db2.gz RGGDGPGOMZIUJS-IJLUTSLNSA-N 2 0 282.388 -0.499 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000519399617 354561016 /nfs/dbraw/zinc/56/10/16/354561016.db2.gz XMYCRWQUMWYVQZ-RFQIPJPRSA-N 2 0 279.384 -0.036 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000520430938 354567699 /nfs/dbraw/zinc/56/76/99/354567699.db2.gz RWKFUSXVORHDAS-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000520585711 354568242 /nfs/dbraw/zinc/56/82/42/354568242.db2.gz ZBQCRARHPRYHPW-VXGBXAGGSA-N 2 0 280.372 -0.793 20 0 CBADRP C[NH2+]C[C@H](O)C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000496843209 354551475 /nfs/dbraw/zinc/55/14/75/354551475.db2.gz AFSUUMCUCRGPCN-GWCFXTLKSA-N 2 0 291.392 -0.568 20 0 CBADRP C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1cncn1 ZINC000542780523 354633213 /nfs/dbraw/zinc/63/32/13/354633213.db2.gz PHHQKEUFBDPFDJ-GFCCVEGCSA-N 2 0 282.392 -0.209 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CC1)C(=O)NCC[NH+](C)C ZINC000556901337 354683732 /nfs/dbraw/zinc/68/37/32/354683732.db2.gz MMNRTAUUZIGFHU-YPMHNXCESA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@@H]1O ZINC000556974091 354684256 /nfs/dbraw/zinc/68/42/56/354684256.db2.gz SMXXCSHBHZWGLK-MELADBBJSA-N 2 0 281.400 -0.006 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000557242046 354686091 /nfs/dbraw/zinc/68/60/91/354686091.db2.gz XTJLHMDYCGGSIH-CQSZACIVSA-N 2 0 295.431 -0.373 20 0 CBADRP [NH3+]C1(CNC(=O)NCC(=O)N2CC[NH2+]CC2)CCCCC1 ZINC000562814105 354687806 /nfs/dbraw/zinc/68/78/06/354687806.db2.gz GSYBUUYCTQEWTE-UHFFFAOYSA-N 2 0 297.403 -0.621 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000562812666 354688369 /nfs/dbraw/zinc/68/83/69/354688369.db2.gz NECOKDWYHWMLKE-CYBMUJFWSA-N 2 0 283.420 -0.373 20 0 CBADRP CN(C(=O)NC[C@@H]1C[NH2+]CCN1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000562821207 354688996 /nfs/dbraw/zinc/68/89/96/354688996.db2.gz ZYBBVMFDHMICPM-KGLIPLIRSA-N 2 0 295.431 -0.232 20 0 CBADRP CSC1(C[NH2+]CCC(=O)NC(N)=O)CC[NH+](C)CC1 ZINC000563010639 354691655 /nfs/dbraw/zinc/69/16/55/354691655.db2.gz ICDNNWIKWLWCNN-UHFFFAOYSA-N 2 0 288.417 -0.012 20 0 CBADRP COC(=O)[C@H]1CC[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000563002368 354691883 /nfs/dbraw/zinc/69/18/83/354691883.db2.gz FKMKHEAPYUHERD-MJBXVCDLSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000563077520 354694465 /nfs/dbraw/zinc/69/44/65/354694465.db2.gz IFCOPMKZNINIDW-MGPQQGTHSA-N 2 0 282.432 -0.016 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000563095492 354695974 /nfs/dbraw/zinc/69/59/74/354695974.db2.gz WLOVBJSYZLZKNO-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH2+][C@@H](C(=O)N(C)[C@H]1CC[NH2+]C1)c1cnn(C)c1 ZINC000563101038 354696553 /nfs/dbraw/zinc/69/65/53/354696553.db2.gz PSAJKMXLTLPBDS-WDEREUQCSA-N 2 0 251.334 -0.499 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000563108437 354697009 /nfs/dbraw/zinc/69/70/09/354697009.db2.gz FGEMYEQAHNVINQ-ZJUUUORDSA-N 2 0 266.349 -0.503 20 0 CBADRP C[C@@H]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000563116866 354697221 /nfs/dbraw/zinc/69/72/21/354697221.db2.gz OCGSPMKKASSAMZ-UTUOFQBUSA-N 2 0 255.362 -0.192 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)c1cnn(C)c1 ZINC000563111095 354697598 /nfs/dbraw/zinc/69/75/98/354697598.db2.gz QBIZOUXWFHJFJD-NHCYSSNCSA-N 2 0 265.361 -0.124 20 0 CBADRP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)COCc1ccccc1F ZINC000563143356 354698806 /nfs/dbraw/zinc/69/88/06/354698806.db2.gz QVYAAFNAANUZCV-OLZOCXBDSA-N 2 0 286.347 -0.127 20 0 CBADRP CC(C)[C@](C)(C[NH3+])NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000563156667 354699526 /nfs/dbraw/zinc/69/95/26/354699526.db2.gz IIOLEQUWKCMOLF-FZMZJTMJSA-N 2 0 284.404 -0.266 20 0 CBADRP O=C1CNC(=O)N1CC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563154626 354699696 /nfs/dbraw/zinc/69/96/96/354699696.db2.gz RKBOZVRUBVOKSS-NEPJUHHUSA-N 2 0 280.372 -0.140 20 0 CBADRP CCC(=O)N1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000563155304 354700137 /nfs/dbraw/zinc/70/01/37/354700137.db2.gz MOCGLLFXDOTUJJ-UHFFFAOYSA-N 2 0 296.415 -0.247 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCC[NH2+]C1CC1 ZINC000563165894 354700945 /nfs/dbraw/zinc/70/09/45/354700945.db2.gz RRFYZXUBMRDFPN-LBPRGKRZSA-N 2 0 270.377 -0.656 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000563203353 354702554 /nfs/dbraw/zinc/70/25/54/354702554.db2.gz WTUDYZNXGRUPQT-OLZOCXBDSA-N 2 0 296.415 -0.025 20 0 CBADRP CC1CC[NH+](C[C@H](O)CNC(=O)NC2C[NH2+]C2)CC1 ZINC000563798962 354705251 /nfs/dbraw/zinc/70/52/51/354705251.db2.gz DALGUJBILOOIDA-GFCCVEGCSA-N 2 0 270.377 -0.650 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000563956804 354709273 /nfs/dbraw/zinc/70/92/73/354709273.db2.gz UOOOCZSZEBAYBX-AVGNSLFASA-N 2 0 296.415 -0.264 20 0 CBADRP COC(=O)CN1CCC[C@@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000564081970 354710179 /nfs/dbraw/zinc/71/01/79/354710179.db2.gz OVBOWUNHALVWOU-WFASDCNBSA-N 2 0 297.399 -0.013 20 0 CBADRP COC(=O)CN1CCC[C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000564081969 354710224 /nfs/dbraw/zinc/71/02/24/354710224.db2.gz OVBOWUNHALVWOU-SWLSCSKDSA-N 2 0 297.399 -0.013 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000564456793 354712840 /nfs/dbraw/zinc/71/28/40/354712840.db2.gz ORYCOFVIUXDVGQ-RYUDHWBXSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000564798909 354717385 /nfs/dbraw/zinc/71/73/85/354717385.db2.gz AANAKAMOGZWTLE-ZJUUUORDSA-N 2 0 270.377 -0.561 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC3CCOCC3)CCN2C1=O ZINC000565233711 354733650 /nfs/dbraw/zinc/73/36/50/354733650.db2.gz OXGCEKOEVFXQSS-VXGBXAGGSA-N 2 0 253.346 -0.343 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NCCNc1cc[nH+]cc1 ZINC000564914937 354720189 /nfs/dbraw/zinc/72/01/89/354720189.db2.gz DVYXJIYSZJLJME-LLVKDONJSA-N 2 0 252.318 -0.605 20 0 CBADRP C[NH2+][C@H](C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1cnn(C)c1 ZINC000564931286 354720804 /nfs/dbraw/zinc/72/08/04/354720804.db2.gz HACAPFICXHPZKP-SYEHKZFSSA-N 2 0 277.372 -0.124 20 0 CBADRP CC1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C[NH2+]C1 ZINC000564933356 354720854 /nfs/dbraw/zinc/72/08/54/354720854.db2.gz NGBPZXFKGQUIJI-LLVKDONJSA-N 2 0 252.362 -0.898 20 0 CBADRP O=C(COC1C[NH2+]C1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000564954586 354722982 /nfs/dbraw/zinc/72/29/82/354722982.db2.gz LKSSZWQKLMJVPP-UHFFFAOYSA-N 2 0 296.415 -0.693 20 0 CBADRP CN1CCN(C(=O)CCN2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000564986662 354723563 /nfs/dbraw/zinc/72/35/63/354723563.db2.gz BTSOWMQTJRNGAE-UONOGXRCSA-N 3 0 280.416 -0.308 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000564989226 354724361 /nfs/dbraw/zinc/72/43/61/354724361.db2.gz BYUNEPVPAYDTAU-STQMWFEESA-N 3 0 268.405 -0.133 20 0 CBADRP O=C(CCN1CC[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH2+]CC1 ZINC000564989571 354724557 /nfs/dbraw/zinc/72/45/57/354724557.db2.gz RKPNDHVUXGQRDY-NEPJUHHUSA-N 2 0 252.362 -0.898 20 0 CBADRP C[NH2+]Cc1ccc(NC(=O)CNC(=O)C[NH3+])cc1 ZINC000564994232 354725937 /nfs/dbraw/zinc/72/59/37/354725937.db2.gz CZPIJXIJEDIYPW-UHFFFAOYSA-N 2 0 250.302 -0.581 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000565891222 354747423 /nfs/dbraw/zinc/74/74/23/354747423.db2.gz RMULWHRVYUKVKN-WOPDTQHZSA-N 2 0 282.388 -0.641 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000566017417 354750734 /nfs/dbraw/zinc/75/07/34/354750734.db2.gz VJXLIFQUXFBIFZ-NEPJUHHUSA-N 3 0 254.378 -0.380 20 0 CBADRP C[C@@H]([NH3+])c1ccc(C(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC000566099563 354752361 /nfs/dbraw/zinc/75/23/61/354752361.db2.gz WUBXWQMANQRFCE-LLVKDONJSA-N 2 0 290.367 -0.132 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CC1(C[NH3+])CC1 ZINC000566102217 354752559 /nfs/dbraw/zinc/75/25/59/354752559.db2.gz XBUIMHSTDZQLOE-LBPRGKRZSA-N 2 0 296.415 -0.039 20 0 CBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000566180092 354755362 /nfs/dbraw/zinc/75/53/62/354755362.db2.gz SAWLGMMKJXSQJQ-KBPBESRZSA-N 2 0 299.415 -0.426 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000566171322 354755512 /nfs/dbraw/zinc/75/55/12/354755512.db2.gz LKVVEXWEGANGKQ-NEPJUHHUSA-N 2 0 292.387 -0.288 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000566192612 354755954 /nfs/dbraw/zinc/75/59/54/354755954.db2.gz OXHOWYHZCBPTQV-SRVKXCTJSA-N 2 0 299.419 -0.249 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000566192610 354756109 /nfs/dbraw/zinc/75/61/09/354756109.db2.gz OXHOWYHZCBPTQV-QJPTWQEYSA-N 2 0 299.419 -0.249 20 0 CBADRP O=C(CCC1CC[NH2+]CC1)NCC(=O)N1CC[NH2+]CC1 ZINC000566204114 354756978 /nfs/dbraw/zinc/75/69/78/354756978.db2.gz HWJGCYALFFTMKW-UHFFFAOYSA-N 2 0 282.388 -0.686 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000566206721 354757339 /nfs/dbraw/zinc/75/73/39/354757339.db2.gz JTZVIYAKJQNNAN-NAKRPEOUSA-N 2 0 269.345 -0.537 20 0 CBADRP C[C@@]1(C[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000566229753 354758558 /nfs/dbraw/zinc/75/85/58/354758558.db2.gz MOAPDUFBLZMQRC-NWDGAFQWSA-N 2 0 275.418 -0.143 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000566236534 354759127 /nfs/dbraw/zinc/75/91/27/354759127.db2.gz FQMOCRNOJHFAIQ-SDDRHHMPSA-N 2 0 284.404 -0.219 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1[NH2+]CCc2ccccc21 ZINC000566551306 354770730 /nfs/dbraw/zinc/77/07/30/354770730.db2.gz OPDQQEGZFBFMOP-JSGCOSHPSA-N 2 0 275.352 -0.022 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCC[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000566572194 354771584 /nfs/dbraw/zinc/77/15/84/354771584.db2.gz AHIIZLSDSJAQEN-IJLUTSLNSA-N 2 0 295.387 -0.918 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000566673590 354772845 /nfs/dbraw/zinc/77/28/45/354772845.db2.gz RONPDOSLPOZXGT-OUCADQQQSA-N 2 0 267.373 -0.035 20 0 CBADRP COC(=O)[C@H]1C[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000567606141 354791908 /nfs/dbraw/zinc/79/19/08/354791908.db2.gz XMQUISQUOIZHBC-XQQFMLRXSA-N 2 0 285.388 -0.864 20 0 CBADRP O[C@]1(C(F)(F)F)CC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000566856306 354776445 /nfs/dbraw/zinc/77/64/45/354776445.db2.gz WCKJNNDGWVLTPC-SNVBAGLBSA-N 2 0 267.295 -0.109 20 0 CBADRP CN1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)[C@@H](C[NH3+])C1 ZINC000567031380 354779828 /nfs/dbraw/zinc/77/98/28/354779828.db2.gz KDJSPWLUTZKZMY-QWHCGFSZSA-N 2 0 283.420 -0.212 20 0 CBADRP CC(C)([NH3+])CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000567109067 354781583 /nfs/dbraw/zinc/78/15/83/354781583.db2.gz RCEPPBCTRQQQFT-SECBINFHSA-N 2 0 256.350 -0.902 20 0 CBADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000567180126 354782554 /nfs/dbraw/zinc/78/25/54/354782554.db2.gz AJONUNCWSDDSNP-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000567232250 354783190 /nfs/dbraw/zinc/78/31/90/354783190.db2.gz KHVPVBSDRUCFON-GFCCVEGCSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@H](CC(=O)NCC(=O)N1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000567267541 354784697 /nfs/dbraw/zinc/78/46/97/354784697.db2.gz AZVTXINIGIHLSN-CHWSQXEVSA-N 2 0 296.415 -0.440 20 0 CBADRP C[NH+](C)CCN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000567267307 354785053 /nfs/dbraw/zinc/78/50/53/354785053.db2.gz ZNIVDDMIQYHAGI-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000567271654 354785072 /nfs/dbraw/zinc/78/50/72/354785072.db2.gz DZDRSRWVCPQGQG-KBUPBQIOSA-N 2 0 282.432 -0.363 20 0 CBADRP C[N@H+](CCCO)C1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000567488034 354788773 /nfs/dbraw/zinc/78/87/73/354788773.db2.gz CXFDNZKJAWKDQB-LBPRGKRZSA-N 2 0 284.404 -0.164 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1)C1CCC1 ZINC000567502741 354789763 /nfs/dbraw/zinc/78/97/63/354789763.db2.gz CQSKVYIQKWSDIK-UTUOFQBUSA-N 2 0 253.346 -0.297 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CCN2C1=O ZINC000565240437 354734695 /nfs/dbraw/zinc/73/46/95/354734695.db2.gz WSNCHCDRXWKFML-IJLUTSLNSA-N 3 0 252.362 -0.770 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000565588829 354741380 /nfs/dbraw/zinc/74/13/80/354741380.db2.gz UEZSOEFYDAWHNW-GFCCVEGCSA-N 2 0 296.415 -0.441 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000567847948 354800802 /nfs/dbraw/zinc/80/08/02/354800802.db2.gz APULTEGYTMFWEG-SDDRHHMPSA-N 2 0 255.362 -0.146 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000567839312 354800888 /nfs/dbraw/zinc/80/08/88/354800888.db2.gz JJUFXCBKOUGWCA-OHTBPHCPSA-N 2 0 297.399 -0.295 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000567839825 354800983 /nfs/dbraw/zinc/80/09/83/354800983.db2.gz PZPBNSSDVLNQLE-QWRGUYRKSA-N 2 0 280.376 -0.255 20 0 CBADRP C[N@H+](C[C@H](O)CNC[C@H]1CCCC[NH+]1CCO)C1CC1 ZINC000567872827 354801668 /nfs/dbraw/zinc/80/16/68/354801668.db2.gz IBHAWZXRWAWCNR-HUUCEWRRSA-N 2 0 285.432 -0.122 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[N@H+](CC[C@H]3CCCO3)CCN2C1=O ZINC000568782808 354833143 /nfs/dbraw/zinc/83/31/43/354833143.db2.gz FFUMFAWWNLWTIM-QJPTWQEYSA-N 2 0 253.346 -0.201 20 0 CBADRP C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000567893789 354803605 /nfs/dbraw/zinc/80/36/05/354803605.db2.gz ZMNWASXCDITKOV-CQSZACIVSA-N 3 0 252.406 -0.033 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000567907248 354804561 /nfs/dbraw/zinc/80/45/61/354804561.db2.gz QJWFMXXIMDBRKB-BRZZBQFESA-N 2 0 296.415 -0.173 20 0 CBADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000567915801 354805088 /nfs/dbraw/zinc/80/50/88/354805088.db2.gz RMKCRHLYGCYNCG-AXFHLTTASA-N 2 0 255.362 -0.396 20 0 CBADRP O=C(N1CC[C@@H](N2CC[NH2+]CC2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000567912062 354805406 /nfs/dbraw/zinc/80/54/06/354805406.db2.gz FPXZMTFBGZMWFH-BZPMIXESSA-N 2 0 264.373 -0.756 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000567982900 354807248 /nfs/dbraw/zinc/80/72/48/354807248.db2.gz YQCHOUYKZKBIIW-NSHDSACASA-N 2 0 280.376 -0.302 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000567982899 354807366 /nfs/dbraw/zinc/80/73/66/354807366.db2.gz YQCHOUYKZKBIIW-LLVKDONJSA-N 2 0 280.376 -0.302 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)C1 ZINC000568211613 354815680 /nfs/dbraw/zinc/81/56/80/354815680.db2.gz CXDSVAHDNKYVDP-RISCZKNCSA-N 2 0 267.373 -0.489 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568267713 354819192 /nfs/dbraw/zinc/81/91/92/354819192.db2.gz LONQKSREJCTVAB-OUAUKWLOSA-N 2 0 268.361 -0.855 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000568266676 354819482 /nfs/dbraw/zinc/81/94/82/354819482.db2.gz GYYFHNWATVYJGT-MDZLAQPJSA-N 2 0 255.362 -0.144 20 0 CBADRP CC(C)[C@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@H](C)[NH3+] ZINC000568264719 354819515 /nfs/dbraw/zinc/81/95/15/354819515.db2.gz UEXDGHNPSKGZOF-UWVGGRQHSA-N 2 0 295.391 -0.228 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000568877257 354833799 /nfs/dbraw/zinc/83/37/99/354833799.db2.gz VNCZGIIQBPLNMQ-UONOGXRCSA-N 2 0 298.431 -0.493 20 0 CBADRP C[NH2+][C@@H](C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000568413735 354824328 /nfs/dbraw/zinc/82/43/28/354824328.db2.gz OZSOAKBDNGWBFQ-IUCAKERBSA-N 2 0 282.310 -0.453 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000568511999 354825517 /nfs/dbraw/zinc/82/55/17/354825517.db2.gz FVWICBWSWJWUHU-VWYCJHECSA-N 2 0 271.361 -0.005 20 0 CBADRP C[C@H](CCC[NH3+])NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000568509616 354825642 /nfs/dbraw/zinc/82/56/42/354825642.db2.gz RCMOUFUURLAZBP-MNOVXSKESA-N 2 0 270.377 -0.512 20 0 CBADRP C[C@H](CCC[NH3+])NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000568509615 354825799 /nfs/dbraw/zinc/82/57/99/354825799.db2.gz RCMOUFUURLAZBP-GHMZBOCLSA-N 2 0 270.377 -0.512 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000568517163 354826335 /nfs/dbraw/zinc/82/63/35/354826335.db2.gz AHBSWXBXWWBGNG-UPJWGTAASA-N 2 0 267.373 -0.096 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000568664345 354829357 /nfs/dbraw/zinc/82/93/57/354829357.db2.gz NJVCOVJCXBQEFY-SDDRHHMPSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CNC(=O)C[NH3+])C1 ZINC000568746269 354830744 /nfs/dbraw/zinc/83/07/44/354830744.db2.gz LPJXMTREMFAJMT-XQQFMLRXSA-N 2 0 296.415 -0.075 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC[C@@H]3CCCO3)CCN2C1=O ZINC000568782806 354832738 /nfs/dbraw/zinc/83/27/38/354832738.db2.gz FFUMFAWWNLWTIM-GRYCIOLGSA-N 2 0 253.346 -0.201 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000570666013 354866974 /nfs/dbraw/zinc/86/69/74/354866974.db2.gz SKXKQVNUPRVBTN-RYUDHWBXSA-N 2 0 270.377 -0.242 20 0 CBADRP CCC(CC)[C@H](O)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000570721383 354867752 /nfs/dbraw/zinc/86/77/52/354867752.db2.gz XLLLFYSRCWNDTI-HUUCEWRRSA-N 2 0 287.448 -0.019 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000570817218 354870660 /nfs/dbraw/zinc/87/06/60/354870660.db2.gz IZQKMYLZUBNTPY-GFCCVEGCSA-N 2 0 296.415 -0.156 20 0 CBADRP COC(=O)CN1CCC[C@@H](CNC(=O)[C@@H](C)[NH3+])C1 ZINC000570962333 354873433 /nfs/dbraw/zinc/87/34/33/354873433.db2.gz WTRGHKDXDNGIKD-ZJUUUORDSA-N 2 0 257.334 -0.665 20 0 CBADRP C[NH+]1CCC(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000571041246 354876221 /nfs/dbraw/zinc/87/62/21/354876221.db2.gz CNRWQRPWISDZLX-LBPRGKRZSA-N 2 0 292.387 -0.146 20 0 CBADRP C[C@@H]1CN(C(=O)N2CCN(C)C[C@H]2C[NH3+])C[C@@]1(C)C[NH3+] ZINC000571062862 354877046 /nfs/dbraw/zinc/87/70/46/354877046.db2.gz ABKAURJWWXKMKY-YRGRVCCFSA-N 2 0 283.420 -0.402 20 0 CBADRP C[C@@](C[NH3+])(NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000569122124 354839435 /nfs/dbraw/zinc/83/94/35/354839435.db2.gz WBIWDRBBKSRVMG-RISCZKNCSA-N 2 0 282.388 -0.512 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000569224974 354840260 /nfs/dbraw/zinc/84/02/60/354840260.db2.gz IHLYWWIAPRRMHJ-GRYCIOLGSA-N 2 0 255.362 -0.179 20 0 CBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H]2C[NH2+]CCO2)C1(C)C ZINC000569240492 354841106 /nfs/dbraw/zinc/84/11/06/354841106.db2.gz DSDNMYDPCGGJSK-MISXGVKJSA-N 2 0 285.388 -0.377 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000569692467 354844028 /nfs/dbraw/zinc/84/40/28/354844028.db2.gz BBPGPGIYTGDHLN-QWRGUYRKSA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000569721212 354844871 /nfs/dbraw/zinc/84/48/71/354844871.db2.gz MLIXPBXEQQTDQZ-RYUDHWBXSA-N 2 0 254.378 -0.652 20 0 CBADRP C[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000569723117 354845071 /nfs/dbraw/zinc/84/50/71/354845071.db2.gz CCWJHYBNDQVPCO-TYNCELHUSA-N 2 0 296.415 -0.312 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000569728931 354845115 /nfs/dbraw/zinc/84/51/15/354845115.db2.gz XJOMBUADRJGXJK-AWEZNQCLSA-N 2 0 287.367 -0.124 20 0 CBADRP C[C@H](CNC(=O)C1(C)C[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000569808327 354845928 /nfs/dbraw/zinc/84/59/28/354845928.db2.gz ZIIOSUDTLRVDGW-GFCCVEGCSA-N 2 0 268.405 -0.404 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC[C@H]1CCC[NH2+]1 ZINC000569809602 354846129 /nfs/dbraw/zinc/84/61/29/354846129.db2.gz PSOCWQWTNCIYDJ-NEPJUHHUSA-N 2 0 282.388 -0.497 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000570100734 354854280 /nfs/dbraw/zinc/85/42/80/354854280.db2.gz UTYYZFASBFYYSZ-HZSPNIEDSA-N 3 0 271.405 -0.215 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000570098918 354854695 /nfs/dbraw/zinc/85/46/95/354854695.db2.gz ZBIJTJFQNUZKAC-ZDUSSCGKSA-N 2 0 284.404 -0.881 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000570515139 354863784 /nfs/dbraw/zinc/86/37/84/354863784.db2.gz HHVZQHQUUKRQKZ-MNOVXSKESA-N 2 0 271.361 -0.181 20 0 CBADRP CC[N@@H+]1CCN(C[C@@H](O)C[NH+](C)CCOC)[C@H](C)C1 ZINC000570580458 354864725 /nfs/dbraw/zinc/86/47/25/354864725.db2.gz XDUBJHRCGKKYAA-KGLIPLIRSA-N 2 0 273.421 -0.049 20 0 CBADRP COCC[N@H+](C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000572012514 354885266 /nfs/dbraw/zinc/88/52/66/354885266.db2.gz QGLGNLUXPKGJGE-UHFFFAOYSA-N 2 0 297.403 -0.247 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000572039540 354886002 /nfs/dbraw/zinc/88/60/02/354886002.db2.gz PTOXORSVWWJSLJ-SDDRHHMPSA-N 2 0 284.404 -0.219 20 0 CBADRP CC[N@H+](CCNC(=O)c1cn(CCC[NH3+])nn1)C1CC1 ZINC000572279786 354890719 /nfs/dbraw/zinc/89/07/19/354890719.db2.gz TYZHRDZPQHTMGY-UHFFFAOYSA-N 2 0 280.376 -0.159 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)c2cn(CCC[NH3+])nn2)C[N@@H+]1C1CC1 ZINC000572719346 354895662 /nfs/dbraw/zinc/89/56/62/354895662.db2.gz XFMFUGZKYVOQRB-MNOVXSKESA-N 2 0 292.387 -0.018 20 0 CBADRP CC1CCN(CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000573236615 354908078 /nfs/dbraw/zinc/90/80/78/354908078.db2.gz GPTXUOMDRIDIFL-MRXNPFEDSA-N 2 0 298.475 -0.084 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)CC1(C[NH3+])CC1 ZINC000573362537 354911272 /nfs/dbraw/zinc/91/12/72/354911272.db2.gz HPDONYYMWOQKLP-LLVKDONJSA-N 2 0 254.378 -0.523 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C2([NH3+])CCC2)C1 ZINC000573442196 354911952 /nfs/dbraw/zinc/91/19/52/354911952.db2.gz VSFJFKXNGQSMCU-JTQLQIEISA-N 2 0 268.361 -0.819 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C2([NH3+])CCC2)C1 ZINC000573442202 354912116 /nfs/dbraw/zinc/91/21/16/354912116.db2.gz VSFJFKXNGQSMCU-SNVBAGLBSA-N 2 0 268.361 -0.819 20 0 CBADRP C[NH2+]CCCC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000573443295 354912841 /nfs/dbraw/zinc/91/28/41/354912841.db2.gz DRKCZMIOGYADCY-SNVBAGLBSA-N 2 0 296.337 -0.062 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000571778522 354880152 /nfs/dbraw/zinc/88/01/52/354880152.db2.gz MKWXPCDPBYTUOH-PWSUYJOCSA-N 2 0 282.388 -0.608 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cn(CC[NH3+])nn2)C1 ZINC000571778485 354880170 /nfs/dbraw/zinc/88/01/70/354880170.db2.gz LBJSBZXKNYVRHB-YPMHNXCESA-N 2 0 292.387 -0.207 20 0 CBADRP CCCCNC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000571821161 354881031 /nfs/dbraw/zinc/88/10/31/354881031.db2.gz KDMDQUBJXBHLSD-MNOVXSKESA-N 2 0 268.361 -0.854 20 0 CBADRP CN1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)[C@@H](C[NH3+])C1 ZINC000571865976 354881999 /nfs/dbraw/zinc/88/19/99/354881999.db2.gz AMOFTWIKIHFXAB-UWVGGRQHSA-N 2 0 291.346 -0.732 20 0 CBADRP O=C(NC1CC[NH2+]CC1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000571918582 354883242 /nfs/dbraw/zinc/88/32/42/354883242.db2.gz STDKKXYBCKLOMR-VIFPVBQESA-N 2 0 263.345 -0.032 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000574042977 354927570 /nfs/dbraw/zinc/92/75/70/354927570.db2.gz WBOHHSZOVVIXIB-NHCYSSNCSA-N 2 0 270.377 -0.671 20 0 CBADRP CC(C)[C@](C)(C[NH3+])NC(=O)c1cn(CCC[NH3+])nn1 ZINC000574981839 354932446 /nfs/dbraw/zinc/93/24/46/354932446.db2.gz SAEDBUSVWOOTJB-LBPRGKRZSA-N 2 0 268.365 -0.270 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000578191457 354941152 /nfs/dbraw/zinc/94/11/52/354941152.db2.gz NTPVRQVQZJFGIG-ZJUUUORDSA-N 2 0 266.349 -0.645 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C[C@H]1CCC[NH2+]C1 ZINC000578237056 354942065 /nfs/dbraw/zinc/94/20/65/354942065.db2.gz XYMWCRWLFXXVGI-LBPRGKRZSA-N 2 0 254.378 -0.650 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000578227294 354942106 /nfs/dbraw/zinc/94/21/06/354942106.db2.gz VNJKIRRQWZLIGA-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC1C[NH2+]C1 ZINC000578490834 354946413 /nfs/dbraw/zinc/94/64/13/354946413.db2.gz LZFOCVZLKCIWCU-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)COC2C[NH2+]C2)C1 ZINC000578627952 354950545 /nfs/dbraw/zinc/95/05/45/354950545.db2.gz SRYNVPNWEBBSND-YPMHNXCESA-N 2 0 267.373 -0.083 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCCCC[NH2+]3)CCN2C1=O ZINC000578767407 354954592 /nfs/dbraw/zinc/95/45/92/354954592.db2.gz UILONALXMVBSMM-IJLUTSLNSA-N 2 0 280.372 -0.711 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CCCCC[NH2+]3)CCN2C1=O ZINC000578767408 354954831 /nfs/dbraw/zinc/95/48/31/354954831.db2.gz UILONALXMVBSMM-QJPTWQEYSA-N 2 0 280.372 -0.711 20 0 CBADRP CCOCC[NH+]1CCN(C[C@H](O)C[N@H+](C)CC)CC1 ZINC000578830303 354955757 /nfs/dbraw/zinc/95/57/57/354955757.db2.gz KXTMJUSMPXVQRW-CQSZACIVSA-N 2 0 273.421 -0.047 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000578866157 354956344 /nfs/dbraw/zinc/95/63/44/354956344.db2.gz JWEPOXCCNKLMAO-HTQZYQBOSA-N 2 0 279.287 -0.620 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC000578890933 354957040 /nfs/dbraw/zinc/95/70/40/354957040.db2.gz YKPIQMRFTMOSID-LLVKDONJSA-N 2 0 253.346 -0.199 20 0 CBADRP Cc1cc(=O)[nH]cc1C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000578892950 354957291 /nfs/dbraw/zinc/95/72/91/354957291.db2.gz GLQOETWLQVNADC-SNVBAGLBSA-N 2 0 264.329 -0.189 20 0 CBADRP C[NH2+][C@@H](C)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000579141161 354964212 /nfs/dbraw/zinc/96/42/12/354964212.db2.gz FDZGPPTZOXEWSL-HIFPTAJRSA-N 2 0 268.405 -0.073 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000342766805 291048894 /nfs/dbraw/zinc/04/88/94/291048894.db2.gz XNYVNEZAHAXVKZ-QWRGUYRKSA-N 2 0 271.361 -0.181 20 0 CBADRP CNS(=O)(=O)CCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000579354668 354968219 /nfs/dbraw/zinc/96/82/19/354968219.db2.gz BWNDBXSINWQOHV-TXEJJXNPSA-N 2 0 275.418 -0.143 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000342687156 291049909 /nfs/dbraw/zinc/04/99/09/291049909.db2.gz AUULDHMKOQCFMY-QWRGUYRKSA-N 2 0 271.361 -0.277 20 0 CBADRP CN1CCN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000580053724 354986001 /nfs/dbraw/zinc/98/60/01/354986001.db2.gz JYKYIZMXVKKGLF-JQWIXIFHSA-N 2 0 295.387 -0.966 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580076444 354988337 /nfs/dbraw/zinc/98/83/37/354988337.db2.gz OVDUQBUDWVALPV-CYBMUJFWSA-N 2 0 253.346 -0.423 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000580098023 354989056 /nfs/dbraw/zinc/98/90/56/354989056.db2.gz WTZBHCZQZJRXMY-FRRDWIJNSA-N 2 0 294.399 -0.593 20 0 CBADRP CC(C)[C@H](Cn1cccn1)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000580182175 354989725 /nfs/dbraw/zinc/98/97/25/354989725.db2.gz NYMVURXPVWHECR-ZDUSSCGKSA-N 2 0 279.388 -0.071 20 0 CBADRP CC(C)([NH3+])CN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000580326650 354993708 /nfs/dbraw/zinc/99/37/08/354993708.db2.gz WOCWGOOQLASNGB-CHWSQXEVSA-N 2 0 295.431 -0.056 20 0 CBADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000580413273 354996014 /nfs/dbraw/zinc/99/60/14/354996014.db2.gz AYWHJTRLRNQLEA-VXGBXAGGSA-N 2 0 270.377 -0.290 20 0 CBADRP O=C(CNC(=O)c1ccc2c[nH+]cn2c1)N1CC[NH2+]CC1 ZINC000581006336 355003888 /nfs/dbraw/zinc/00/38/88/355003888.db2.gz JLTZBMZDIANFMM-UHFFFAOYSA-N 2 0 287.323 -0.504 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC(C)(C)CCCO)CC1 ZINC000580828683 354999380 /nfs/dbraw/zinc/99/93/80/354999380.db2.gz HURVQUZBKZAXIC-AWEZNQCLSA-N 2 0 287.448 -0.017 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](C[C@H](C)O)CC1 ZINC000580841334 355000172 /nfs/dbraw/zinc/00/01/72/355000172.db2.gz MTJKNXBBDVVLKV-QWHCGFSZSA-N 2 0 259.394 -0.703 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000584350280 355030337 /nfs/dbraw/zinc/03/03/37/355030337.db2.gz ATVDOVWETPEZQZ-TUAOUCFPSA-N 2 0 282.388 -0.512 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000584530572 355030943 /nfs/dbraw/zinc/03/09/43/355030943.db2.gz AIHJCUXKPWEYRG-ZJUUUORDSA-N 2 0 257.334 -0.537 20 0 CBADRP CN1CCC[C@@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000584524810 355031222 /nfs/dbraw/zinc/03/12/22/355031222.db2.gz JQQVETSWLWEDFS-ZIAGYGMSSA-N 2 0 270.421 -0.722 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000584766093 355037323 /nfs/dbraw/zinc/03/73/23/355037323.db2.gz KDZIMXDRKMWMRM-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000584770520 355037420 /nfs/dbraw/zinc/03/74/20/355037420.db2.gz YKJGKWKEOGFSFJ-LLVKDONJSA-N 2 0 269.393 -0.717 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000584778943 355037777 /nfs/dbraw/zinc/03/77/77/355037777.db2.gz HGXJJNMMOPRCGR-LBPRGKRZSA-N 2 0 283.372 -0.133 20 0 CBADRP C[C@@H]1CN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)[C@H](C)C[NH2+]1 ZINC000582062568 355006179 /nfs/dbraw/zinc/00/61/79/355006179.db2.gz OWSSRWMQDUEHGG-JHJVBQTASA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000582121107 355008321 /nfs/dbraw/zinc/00/83/21/355008321.db2.gz PAZZYZPCFYPUBZ-AVGNSLFASA-N 2 0 296.415 -0.251 20 0 CBADRP [NH3+]CCc1nc(C(=O)NC[C@H]2C[NH2+]CCCO2)cs1 ZINC000582242540 355011224 /nfs/dbraw/zinc/01/12/24/355011224.db2.gz HPTBFLUNKWKYDX-SECBINFHSA-N 2 0 284.385 -0.247 20 0 CBADRP CCOC(C)(C)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000582356367 355014847 /nfs/dbraw/zinc/01/48/47/355014847.db2.gz QLGVLNOWXGMIFV-ZDUSSCGKSA-N 2 0 273.421 -0.001 20 0 CBADRP CO[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000583559163 355019035 /nfs/dbraw/zinc/01/90/35/355019035.db2.gz HJCSCFKLVATERF-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000583563499 355020075 /nfs/dbraw/zinc/02/00/75/355020075.db2.gz ATAJCKARQBCWCU-ZJUUUORDSA-N 2 0 293.375 -0.459 20 0 CBADRP CC[C@@]1(C(=O)NCC(=O)N2CC[NH2+]CC2)CCC[NH2+]1 ZINC000583565137 355020189 /nfs/dbraw/zinc/02/01/89/355020189.db2.gz SCEFESSHSNYZLZ-ZDUSSCGKSA-N 2 0 268.361 -0.933 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000583629866 355021023 /nfs/dbraw/zinc/02/10/23/355021023.db2.gz ONWPTAZWYUQFOZ-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000583691907 355022673 /nfs/dbraw/zinc/02/26/73/355022673.db2.gz UMZUITVMJOJRFW-GUBZILKMSA-N 2 0 255.318 -0.913 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000583871217 355023321 /nfs/dbraw/zinc/02/33/21/355023321.db2.gz SXNQYOCVYTUHSW-QWRGUYRKSA-N 2 0 278.360 -0.488 20 0 CBADRP CSC[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000591734986 355112253 /nfs/dbraw/zinc/11/22/53/355112253.db2.gz FYAOQXGFEHITEZ-VXGBXAGGSA-N 2 0 289.445 -0.113 20 0 CBADRP C[NH+]1CCN(C(C)(C)C[NH2+]CCC(=O)NC(N)=O)CC1 ZINC000591739460 355112287 /nfs/dbraw/zinc/11/22/87/355112287.db2.gz WAQLCGUGAVISHQ-UHFFFAOYSA-N 2 0 285.392 -0.813 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC000591287055 355093491 /nfs/dbraw/zinc/09/34/91/355093491.db2.gz CFMAGWIFDSZMFU-UHFFFAOYSA-N 2 0 295.387 -0.321 20 0 CBADRP CCC[NH2+][C@@H](C)C(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000591354764 355094442 /nfs/dbraw/zinc/09/44/42/355094442.db2.gz YDZVNIYAPGXLKV-QWRGUYRKSA-N 2 0 271.361 -0.262 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000592546775 355161149 /nfs/dbraw/zinc/16/11/49/355161149.db2.gz CLABTMSMNUKURL-RYUDHWBXSA-N 2 0 299.371 -0.882 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CC1([NH3+])CCC1 ZINC000592546624 355161164 /nfs/dbraw/zinc/16/11/64/355161164.db2.gz BRHVCXKUMLOTGK-JTQLQIEISA-N 2 0 269.345 -0.379 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000592550724 355161919 /nfs/dbraw/zinc/16/19/19/355161919.db2.gz HTPNILDATKWICI-KXUCPTDWSA-N 2 0 255.318 -0.913 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CC1CC[NH2+]CC1 ZINC000592549642 355162081 /nfs/dbraw/zinc/16/20/81/355162081.db2.gz ZCQGPNPVBLEFOY-GFCCVEGCSA-N 2 0 283.372 -0.260 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000592552410 355162502 /nfs/dbraw/zinc/16/25/02/355162502.db2.gz HJEDCUOBTIGFAD-NXEZZACHSA-N 2 0 269.345 -0.652 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CC[C@@H](C)[NH3+] ZINC000592557581 355163640 /nfs/dbraw/zinc/16/36/40/355163640.db2.gz ZVXNAQLLQYRYTO-ZJUUUORDSA-N 2 0 257.334 -0.523 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592568989 355165274 /nfs/dbraw/zinc/16/52/74/355165274.db2.gz UKVSYMCDZVJMGV-ZJUUUORDSA-N 2 0 269.345 -0.332 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000592047608 355128478 /nfs/dbraw/zinc/12/84/78/355128478.db2.gz ODTWNKSGMIAKMU-ZJUUUORDSA-N 2 0 257.334 -0.523 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000592245862 355145821 /nfs/dbraw/zinc/14/58/21/355145821.db2.gz JCMSMCDNDSGJCG-UTLUCORTSA-N 2 0 255.318 -0.913 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000592293093 355146368 /nfs/dbraw/zinc/14/63/68/355146368.db2.gz QZDKYUWMWYBWTE-UWVGGRQHSA-N 2 0 257.334 -0.475 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000592320361 355147367 /nfs/dbraw/zinc/14/73/67/355147367.db2.gz BTSMPOWBZBNMBV-JOYOIKCWSA-N 2 0 257.334 -0.617 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000592331525 355148216 /nfs/dbraw/zinc/14/82/16/355148216.db2.gz UHKHXKSOBSYKTL-AEJSXWLSSA-N 2 0 257.334 -0.347 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000592331528 355148386 /nfs/dbraw/zinc/14/83/86/355148386.db2.gz UHKHXKSOBSYKTL-BBBLOLIVSA-N 2 0 257.334 -0.347 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C[C@H]1CCC[NH2+]C1 ZINC000592434786 355154510 /nfs/dbraw/zinc/15/45/10/355154510.db2.gz PSEHPGSPEZQFKQ-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000592469266 355155230 /nfs/dbraw/zinc/15/52/30/355155230.db2.gz ZKLDQAVNAFELBW-LLVKDONJSA-N 2 0 274.434 -0.570 20 0 CBADRP NC(=O)NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000593731551 355217358 /nfs/dbraw/zinc/21/73/58/355217358.db2.gz ZTQFUZVFIBEFAB-UTUOFQBUSA-N 2 0 298.387 -0.068 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)CC3([NH3+])CCC3)CCN2C1=O ZINC000594873650 355265699 /nfs/dbraw/zinc/26/56/99/355265699.db2.gz GLRDXFBJCRULGD-VHSXEESVSA-N 2 0 266.345 -0.972 20 0 CBADRP CC(C)[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@@H](C)[NH3+] ZINC000594877973 355267074 /nfs/dbraw/zinc/26/70/74/355267074.db2.gz JKNQDHLOQISGPJ-KKOKHZNYSA-N 2 0 282.388 -0.624 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594879646 355267997 /nfs/dbraw/zinc/26/79/97/355267997.db2.gz FMMXIXFFOGTEPZ-DDHJBXDOSA-N 2 0 280.372 -0.855 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595952361 355326919 /nfs/dbraw/zinc/32/69/19/355326919.db2.gz ZVQUJQKZIIENAC-ZJUUUORDSA-N 2 0 259.350 -0.244 20 0 CBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)C3([NH3+])CC4(CCC4)C3)CCN2C1=O ZINC000595971832 355331080 /nfs/dbraw/zinc/33/10/80/355331080.db2.gz SKYPGRWKMWGNNJ-MNOVXSKESA-N 2 0 292.383 -0.582 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595266059 355276159 /nfs/dbraw/zinc/27/61/59/355276159.db2.gz YDAHJMNPYMGRFV-QCNOEVLYSA-N 2 0 295.387 -0.920 20 0 CBADRP COC(=O)CCN1CC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000595294262 355279556 /nfs/dbraw/zinc/27/95/56/355279556.db2.gz YHNUIZXMFHTVAY-GRYCIOLGSA-N 2 0 281.356 -0.698 20 0 CBADRP COC(=O)CC1CC([NH2+]CCN2CC[C@@H](O)C2)C1 ZINC000599084932 355462746 /nfs/dbraw/zinc/46/27/46/355462746.db2.gz GGSTZQBNHDYJQX-HTAVTVPLSA-N 2 0 256.346 -0.016 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000601269986 355582526 /nfs/dbraw/zinc/58/25/26/355582526.db2.gz JERJPFGYESBDKR-CHWSQXEVSA-N 2 0 283.420 -0.374 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000601269993 355582919 /nfs/dbraw/zinc/58/29/19/355582919.db2.gz JERJPFGYESBDKR-QWHCGFSZSA-N 2 0 283.420 -0.374 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CCC1C[NH2+]C1 ZINC000602490489 355652848 /nfs/dbraw/zinc/65/28/48/355652848.db2.gz DSRYVXAPNXCVAN-LLVKDONJSA-N 2 0 269.345 -0.651 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H](C)[NH+](C)C ZINC000602491347 355654003 /nfs/dbraw/zinc/65/40/03/355654003.db2.gz GUZNRPVOUULTJF-ZJUUUORDSA-N 2 0 257.334 -0.700 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000602523708 355657551 /nfs/dbraw/zinc/65/75/51/355657551.db2.gz HMJKDVSWWDUIJT-WOPDTQHZSA-N 2 0 280.372 -0.759 20 0 CBADRP C[S@](=O)C1(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC[NH2+]CC1 ZINC000602533310 355658628 /nfs/dbraw/zinc/65/86/28/355658628.db2.gz WMLSOVQVJJAHBQ-LOOLNKMNSA-N 2 0 299.440 -0.173 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000602545230 355659494 /nfs/dbraw/zinc/65/94/94/355659494.db2.gz VOIFJHDCNKIOII-LPEHRKFASA-N 2 0 257.334 -0.476 20 0 CBADRP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000602018921 355625860 /nfs/dbraw/zinc/62/58/60/355625860.db2.gz CHQIABIEFGWYGG-MMWGEVLESA-N 2 0 271.361 -0.088 20 0 CBADRP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000602020441 355626142 /nfs/dbraw/zinc/62/61/42/355626142.db2.gz LBPNLPUKNOWXOS-JXUBOQSCSA-N 2 0 259.350 -0.232 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000612550939 355840526 /nfs/dbraw/zinc/84/05/26/355840526.db2.gz KENPVMRJSZBNOW-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612879551 355853905 /nfs/dbraw/zinc/85/39/05/355853905.db2.gz ZMFLIWZUDJJQTL-GXTWGEPZSA-N 2 0 283.420 -0.327 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612987248 355859136 /nfs/dbraw/zinc/85/91/36/355859136.db2.gz NKIXLIMHKPVHMK-LBPRGKRZSA-N 2 0 281.404 -0.667 20 0 CBADRP CN1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)[C@@H](C[NH3+])C1 ZINC000612994406 355860616 /nfs/dbraw/zinc/86/06/16/355860616.db2.gz SNHVVSIWCCPPOW-RYUDHWBXSA-N 2 0 281.404 -0.587 20 0 CBADRP C(=C/CN1C[C@@H]2C[NH2+]C[C@H]2C1)\CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613996127 355926667 /nfs/dbraw/zinc/92/66/67/355926667.db2.gz PWEDYBAZADZXAJ-ZIJPVPLASA-N 2 0 276.428 -0.155 20 0 CBADRP C(=C/CN1C[C@H]2C[NH2+]C[C@H]2C1)\CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613996108 355926867 /nfs/dbraw/zinc/92/68/67/355926867.db2.gz PWEDYBAZADZXAJ-NTXWRNLQSA-N 2 0 276.428 -0.155 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H](CO)C[NH+](C)C ZINC000614847674 355989481 /nfs/dbraw/zinc/98/94/81/355989481.db2.gz NEGJIBLJBKEUPU-UTUOFQBUSA-N 2 0 257.378 -0.102 20 0 CBADRP CN(CCC(=O)N[C@@H](CO)C[NH+](C)C)c1cc[nH+]cc1 ZINC000614853466 355992486 /nfs/dbraw/zinc/99/24/86/355992486.db2.gz WSOJBIKSZNHPPF-GFCCVEGCSA-N 2 0 280.372 -0.053 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000614502686 355963869 /nfs/dbraw/zinc/96/38/69/355963869.db2.gz LMGDMRUCEFRKSF-KGLIPLIRSA-N 2 0 280.416 -0.023 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000614505407 355964350 /nfs/dbraw/zinc/96/43/50/355964350.db2.gz NNGXZUPNCPARJG-OLZOCXBDSA-N 2 0 266.389 -0.556 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000614514263 355967947 /nfs/dbraw/zinc/96/79/47/355967947.db2.gz KWLNETLBJYVREM-GFCCVEGCSA-N 2 0 266.389 -0.413 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC(C[NH+](C)C)C1 ZINC000615504074 356037308 /nfs/dbraw/zinc/03/73/08/356037308.db2.gz OFCJRSBYPZHOIB-LBPRGKRZSA-N 2 0 269.389 -0.025 20 0 CBADRP CC[C@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[NH+](C)C ZINC000618306643 356186457 /nfs/dbraw/zinc/18/64/57/356186457.db2.gz CQAGSNUUWIPUSJ-GFCCVEGCSA-N 2 0 286.420 -0.195 20 0 CBADRP C[C@@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[NH+](C)C ZINC000618306670 356186641 /nfs/dbraw/zinc/18/66/41/356186641.db2.gz DEYARDLYLWJWDS-NSHDSACASA-N 2 0 272.393 -0.585 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621698715 356281131 /nfs/dbraw/zinc/28/11/31/356281131.db2.gz DKPOCTUYVXAXQX-DZGCQCFKSA-N 2 0 280.416 -0.036 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)nn1 ZINC000621682221 356280628 /nfs/dbraw/zinc/28/06/28/356280628.db2.gz BRTZWHXWTLWAGX-FZMZJTMJSA-N 2 0 292.387 -0.030 20 0 CBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C[C@@H]1C[NH2+]CCO1)C2 ZINC000621684370 356280659 /nfs/dbraw/zinc/28/06/59/356280659.db2.gz LIMUDQPKBSKUIO-WZRBSPASSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C2 ZINC000621684858 356280783 /nfs/dbraw/zinc/28/07/83/356280783.db2.gz UNTWASZKMQFHNM-SUNKGSAMSA-N 2 0 280.372 -0.806 20 0 CBADRP C[C@H]1[C@H](C)N(C(=O)C[NH+](C)C)CCN1C(=O)C[NH+](C)C ZINC000620748096 356248561 /nfs/dbraw/zinc/24/85/61/356248561.db2.gz XHDRUHPQPBKOBV-RYUDHWBXSA-N 2 0 284.404 -0.443 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621838102 356288800 /nfs/dbraw/zinc/28/88/00/356288800.db2.gz XNIYMTADMPNFPC-XHDPSFHLSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621841675 356288899 /nfs/dbraw/zinc/28/88/99/356288899.db2.gz YFPOWDOVTVCJOY-TYNCELHUSA-N 2 0 296.415 -0.217 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622024814 356300800 /nfs/dbraw/zinc/30/08/00/356300800.db2.gz CSVQLKALGMSIPN-SWLSCSKDSA-N 2 0 296.415 -0.264 20 0 CBADRP C[NH+](C)[C@H](CNc1nc(N)[nH+]c(N)n1)c1cccc(F)c1 ZINC000623799851 356376306 /nfs/dbraw/zinc/37/63/06/356376306.db2.gz PRXPNHIRMYTADD-SNVBAGLBSA-N 2 0 291.334 -0.027 20 0 CBADRP C[NH+](C)[C@@H](CNc1nc(N)[nH+]c(N)n1)c1cccs1 ZINC000623798494 356376368 /nfs/dbraw/zinc/37/63/68/356376368.db2.gz XCGBILXYNJNKBJ-ZETCQYMHSA-N 2 0 279.373 -0.105 20 0 CBADRP Nc1nc(N2CC[NH+](C3CCCC3)CC2)nc(N)[nH+]1 ZINC000623842607 356377772 /nfs/dbraw/zinc/37/77/72/356377772.db2.gz RASLXYLITMPJCW-UHFFFAOYSA-N 2 0 263.349 -0.239 20 0 CBADRP C[C@@H](CNc1nc(N)[nH+]c(N)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000623859098 356379241 /nfs/dbraw/zinc/37/92/41/356379241.db2.gz AWIDDDXDAGICBR-BDAKNGLRSA-N 2 0 265.365 -0.349 20 0 CBADRP CC[C@@H](CNc1nc(N)[nH+]c(N)n1)[NH+]1CCCC1 ZINC000623854870 356379358 /nfs/dbraw/zinc/37/93/58/356379358.db2.gz KVEUMRFCTBDARA-QMMMGPOBSA-N 2 0 251.338 -0.595 20 0 CBADRP C[C@@H](CNc1nc(N)[nH+]c(N)n1)C[NH+]1CCCC1 ZINC000623875582 356380514 /nfs/dbraw/zinc/38/05/14/356380514.db2.gz OSLURQOCRKTHTF-QMMMGPOBSA-N 2 0 251.338 -0.738 20 0 CBADRP CC[N@@H+]1CCC[C@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000623908436 356381398 /nfs/dbraw/zinc/38/13/98/356381398.db2.gz BHXLNPBRHGVJJI-MRVPVSSYSA-N 2 0 251.338 -0.738 20 0 CBADRP CC[C@H]1CCCC[N@@H+]1CCNc1nc(N)[nH+]c(N)n1 ZINC000623970245 356385847 /nfs/dbraw/zinc/38/58/47/356385847.db2.gz JETWXOWJIANXHO-VIFPVBQESA-N 2 0 265.365 -0.205 20 0 CBADRP Nc1nc(N2CC[C@@H](C[NH+]3CCCC3)C2)nc(N)[nH+]1 ZINC000623988001 356386517 /nfs/dbraw/zinc/38/65/17/356386517.db2.gz WTAKBFWNHAEEGW-VIFPVBQESA-N 2 0 263.349 -0.381 20 0 CBADRP Nc1nc(NC2CC[NH+](C[C@H]3CCOC3)CC2)nc(N)[nH+]1 ZINC000623981581 356386835 /nfs/dbraw/zinc/38/68/35/356386835.db2.gz KDMLUCVRZGGZRD-SECBINFHSA-N 2 0 293.375 -0.969 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624006083 356388452 /nfs/dbraw/zinc/38/84/52/356388452.db2.gz LKCCCCRGPKYEIZ-MRVPVSSYSA-N 2 0 251.338 -0.525 20 0 CBADRP C[C@@H](CCNc1nc(N)[nH+]c(N)n1)[NH+]1CCCCC1 ZINC000624099550 356397016 /nfs/dbraw/zinc/39/70/16/356397016.db2.gz VENDWHXSUQTFPI-VIFPVBQESA-N 2 0 265.365 -0.205 20 0 CBADRP C[C@H](C1CC[NH+](C)CC1)N(C)c1nc(N)[nH+]c(N)n1 ZINC000624088657 356397068 /nfs/dbraw/zinc/39/70/68/356397068.db2.gz QHAHNHCLFDVLKE-MRVPVSSYSA-N 2 0 265.365 -0.137 20 0 CBADRP Nc1nc(N2CCC[C@H]2C[NH+]2CCCC2)nc(N)[nH+]1 ZINC000624117458 356398222 /nfs/dbraw/zinc/39/82/22/356398222.db2.gz PAAKUWJXSXLLFN-VIFPVBQESA-N 2 0 263.349 -0.239 20 0 CBADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccccn1 ZINC000624368664 356413953 /nfs/dbraw/zinc/41/39/53/356413953.db2.gz VFDWGDFVVYMOTK-UHFFFAOYSA-N 2 0 272.374 -0.230 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000624386033 356416067 /nfs/dbraw/zinc/41/60/67/356416067.db2.gz YHJZJKPPSBLFCA-SSDOTTSWSA-N 2 0 251.338 -0.597 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(c2nc(N)[nH+]c(N)n2)CCO1 ZINC000624410788 356420842 /nfs/dbraw/zinc/42/08/42/356420842.db2.gz HLYOQZYNBXCGPP-SECBINFHSA-N 2 0 281.364 -0.756 20 0 CBADRP C[NH+](C)CCC[C@H]1CN(c2nc(N)[nH+]c(N)n2)CCO1 ZINC000624410789 356420945 /nfs/dbraw/zinc/42/09/45/356420945.db2.gz HLYOQZYNBXCGPP-VIFPVBQESA-N 2 0 281.364 -0.756 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000424171767 283160567 /nfs/dbraw/zinc/16/05/67/283160567.db2.gz JKYOEAKKCKRVSX-RWMBFGLXSA-N 2 0 267.373 -0.083 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)c2nc(N)[nH+]c(N)n2)C1 ZINC000624266408 356408501 /nfs/dbraw/zinc/40/85/01/356408501.db2.gz NARURLARCGKAMV-QMMMGPOBSA-N 2 0 251.338 -0.384 20 0 CBADRP [NH3+]C[C@@H](NC(=O)NCC[N@@H+]1CC[C@@H](O)C1)C(F)(F)F ZINC000625899603 356496352 /nfs/dbraw/zinc/49/63/52/356496352.db2.gz XTOOHRHBFOXAHG-HTQZYQBOSA-N 2 0 284.282 -0.758 20 0 CBADRP CC[NH+](CC)CCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000626916606 356555077 /nfs/dbraw/zinc/55/50/77/356555077.db2.gz ARBOZYSAZIGIDC-NSHDSACASA-N 2 0 258.366 -0.384 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000626978644 356562455 /nfs/dbraw/zinc/56/24/55/356562455.db2.gz HNYZGNNDNGNVQZ-NSHDSACASA-N 2 0 270.377 -0.242 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000626946427 356558714 /nfs/dbraw/zinc/55/87/14/356558714.db2.gz YJRBIICCUQTSAL-NSHDSACASA-N 2 0 258.366 -0.303 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000626946096 356558717 /nfs/dbraw/zinc/55/87/17/356558717.db2.gz RNQGDJBOBQJXRL-LLVKDONJSA-N 2 0 270.377 -0.112 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626949572 356558938 /nfs/dbraw/zinc/55/89/38/356558938.db2.gz FLUMRIIMBANAAV-LLVKDONJSA-N 2 0 270.377 -0.112 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626975526 356561688 /nfs/dbraw/zinc/56/16/88/356561688.db2.gz VYUIRUOMNXIYRL-NEPJUHHUSA-N 2 0 270.377 -0.242 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000627064232 356571385 /nfs/dbraw/zinc/57/13/85/356571385.db2.gz QSAOUVAYOJOQFS-QWHCGFSZSA-N 2 0 283.420 -0.279 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@@H]1CCCC[NH2+]1 ZINC000627065973 356571387 /nfs/dbraw/zinc/57/13/87/356571387.db2.gz MOKUTYQFPILYAB-NWDGAFQWSA-N 2 0 270.377 -0.506 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)NCCCN2CC[NH2+]CC2)C[NH2+]1 ZINC000627064063 356571529 /nfs/dbraw/zinc/57/15/29/356571529.db2.gz QAFJSPOHQOSIDV-QWHCGFSZSA-N 2 0 283.420 -0.279 20 0 CBADRP [NH3+]CCCOCCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000627065845 356571556 /nfs/dbraw/zinc/57/15/56/356571556.db2.gz LZIDZFQSJQEWGH-NSHDSACASA-N 2 0 258.366 -0.207 20 0 CBADRP C[C@@H](NC(=O)N(C)CCOCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000627069640 356572330 /nfs/dbraw/zinc/57/23/30/356572330.db2.gz QENZUFPTZYZEDH-VXGBXAGGSA-N 2 0 272.393 -0.009 20 0 CBADRP C[C@H](NC(=O)N(C)CCOCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000627069637 356572455 /nfs/dbraw/zinc/57/24/55/356572455.db2.gz QENZUFPTZYZEDH-NWDGAFQWSA-N 2 0 272.393 -0.009 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@H]1CCC[NH2+]C1 ZINC000627068285 356572491 /nfs/dbraw/zinc/57/24/91/356572491.db2.gz HDBXTTVLUGFZKR-RYUDHWBXSA-N 2 0 270.377 -0.648 20 0 CBADRP [NH3+]C1(CNC(=O)NC[C@@H]2COCC[NH2+]2)CCCCC1 ZINC000627068636 356572735 /nfs/dbraw/zinc/57/27/35/356572735.db2.gz MHSSXDXZJBWFGX-LLVKDONJSA-N 2 0 270.377 -0.064 20 0 CBADRP O=C(NCC[NH2+]C1CC1)NCC[N@H+]1CC[C@H](O)C1 ZINC000627070278 356573459 /nfs/dbraw/zinc/57/34/59/356573459.db2.gz ZKIHTFAZMQNAOU-NSHDSACASA-N 2 0 256.350 -0.896 20 0 CBADRP CCN(CC[NH3+])C(=O)NCC[N@H+](C)CCCOC ZINC000626986894 356563574 /nfs/dbraw/zinc/56/35/74/356563574.db2.gz PURJPWRDFZBPDD-UHFFFAOYSA-N 2 0 260.382 -0.055 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCC1([NH3+])CCOCC1 ZINC000627146886 356588400 /nfs/dbraw/zinc/58/84/00/356588400.db2.gz BUQYNWJMXBBEGT-WDEREUQCSA-N 2 0 270.377 -0.114 20 0 CBADRP [NH3+]C1(CNC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CCOCC1 ZINC000627147464 356588976 /nfs/dbraw/zinc/58/89/76/356588976.db2.gz ICAYULWCSAYUAC-RYUDHWBXSA-N 2 0 282.388 -0.112 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000627160088 356591306 /nfs/dbraw/zinc/59/13/06/356591306.db2.gz XEDUZUJDIZKJAK-SDDRHHMPSA-N 2 0 269.393 -0.589 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000627163873 356591669 /nfs/dbraw/zinc/59/16/69/356591669.db2.gz WIPSKMAHZLNGND-LOWVWBTDSA-N 2 0 270.377 -0.507 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000627165556 356592047 /nfs/dbraw/zinc/59/20/47/356592047.db2.gz ZAHRRVNTSURGHX-DMDPSCGWSA-N 2 0 272.393 -0.261 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000627171035 356592519 /nfs/dbraw/zinc/59/25/19/356592519.db2.gz OUMMXICWOHBOOT-XQQFMLRXSA-N 2 0 284.404 -0.009 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000627170942 356592596 /nfs/dbraw/zinc/59/25/96/356592596.db2.gz LVWGHJACXAWKIZ-LBPRGKRZSA-N 2 0 272.393 -0.007 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000627172142 356592924 /nfs/dbraw/zinc/59/29/24/356592924.db2.gz TUPZYVPQPYFPJK-VXGBXAGGSA-N 2 0 272.393 -0.009 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000627171392 356592929 /nfs/dbraw/zinc/59/29/29/356592929.db2.gz UZWRAMHGZIQAEG-MNOVXSKESA-N 2 0 258.366 -0.386 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000627171999 356592974 /nfs/dbraw/zinc/59/29/74/356592974.db2.gz PAZCSAKFTVCMKW-LBPRGKRZSA-N 2 0 272.393 -0.137 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000627171082 356593003 /nfs/dbraw/zinc/59/30/03/356593003.db2.gz QAUWTKSKUHYXIQ-NEPJUHHUSA-N 2 0 270.377 -0.384 20 0 CBADRP C[NH2+]CCOCCNC(=O)NC(C)(C)C[NH+](C)C ZINC000627171925 356593219 /nfs/dbraw/zinc/59/32/19/356593219.db2.gz MLWCWSFRKLMODM-UHFFFAOYSA-N 2 0 260.382 -0.138 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000627171211 356593265 /nfs/dbraw/zinc/59/32/65/356593265.db2.gz RLNSBQHZNOULAH-QWRGUYRKSA-N 2 0 258.366 -0.386 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000627171393 356593330 /nfs/dbraw/zinc/59/33/30/356593330.db2.gz UZWRAMHGZIQAEG-QWRGUYRKSA-N 2 0 258.366 -0.386 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)N(C)CCOCC[NH3+] ZINC000627071860 356573692 /nfs/dbraw/zinc/57/36/92/356573692.db2.gz WJKHGNFAZWMVJV-UHFFFAOYSA-N 2 0 260.382 -0.009 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000627075055 356574282 /nfs/dbraw/zinc/57/42/82/356574282.db2.gz YUXNVGXROWIUQI-NSHDSACASA-N 2 0 258.366 -0.397 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1CCC[NH2+]C1 ZINC000627075867 356574708 /nfs/dbraw/zinc/57/47/08/356574708.db2.gz PHHBAIWFTXMBEA-GHMZBOCLSA-N 2 0 256.350 -0.896 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000627075290 356574818 /nfs/dbraw/zinc/57/48/18/356574818.db2.gz IYQGRBJBBWYHHO-NSHDSACASA-N 2 0 258.366 -0.384 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627076960 356574983 /nfs/dbraw/zinc/57/49/83/356574983.db2.gz NRASSESHDUUSNH-WDEREUQCSA-N 2 0 258.366 -0.665 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCOCCC[NH3+] ZINC000627085960 356578669 /nfs/dbraw/zinc/57/86/69/356578669.db2.gz ANEBIPPBTHKLBY-WDEREUQCSA-N 2 0 258.366 -0.351 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627086155 356578888 /nfs/dbraw/zinc/57/88/88/356578888.db2.gz IXTMLCSLJPGBHR-TUAOUCFPSA-N 2 0 270.377 -0.650 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000627085973 356578972 /nfs/dbraw/zinc/57/89/72/356578972.db2.gz BESDBPBXIHUWOX-LLVKDONJSA-N 2 0 258.366 -0.255 20 0 CBADRP C[C@]1(CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)CCC[NH2+]C1 ZINC000627085502 356579033 /nfs/dbraw/zinc/57/90/33/356579033.db2.gz OFRQPXKLVOSCRB-JSGCOSHPSA-N 2 0 284.404 -0.258 20 0 CBADRP [NH3+]CCCOCCNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000627086206 356579074 /nfs/dbraw/zinc/57/90/74/356579074.db2.gz KCLOIOFCDWZNEZ-LLVKDONJSA-N 2 0 258.366 -0.207 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@H]1CCC[NH2+]CC1 ZINC000627086065 356579297 /nfs/dbraw/zinc/57/92/97/356579297.db2.gz GCLREBZAAVZKCX-NWDGAFQWSA-N 2 0 270.377 -0.506 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CCOCC[NH3+] ZINC000627086167 356579315 /nfs/dbraw/zinc/57/93/15/356579315.db2.gz JOZQPARPXKDIEK-GHMZBOCLSA-N 2 0 258.366 -0.399 20 0 CBADRP [NH3+][C@H]1CCC[C@@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000627087422 356580005 /nfs/dbraw/zinc/58/00/05/356580005.db2.gz JMKHLAFQSNDUKZ-TUAOUCFPSA-N 2 0 270.377 -0.378 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000627087414 356580091 /nfs/dbraw/zinc/58/00/91/356580091.db2.gz JMKHLAFQSNDUKZ-IJLUTSLNSA-N 2 0 270.377 -0.378 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000627088664 356580686 /nfs/dbraw/zinc/58/06/86/356580686.db2.gz RKXWOFHKAWXOLW-NWDGAFQWSA-N 2 0 272.393 -0.138 20 0 CBADRP CCN(CC[NH3+])C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000627092183 356581617 /nfs/dbraw/zinc/58/16/17/356581617.db2.gz OQYQYNJJEMSGLY-LBPRGKRZSA-N 2 0 258.366 -0.255 20 0 CBADRP COC[C@]1(CNC(=O)NC[C@@H]2COCC[NH2+]2)CCC[NH2+]1 ZINC000627091954 356581659 /nfs/dbraw/zinc/58/16/59/356581659.db2.gz FWUPMDOXQJWLFV-DGCLKSJQSA-N 2 0 286.376 -0.957 20 0 CBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627090730 356581683 /nfs/dbraw/zinc/58/16/83/356581683.db2.gz YNHGWCXNBGDKGN-SDDRHHMPSA-N 2 0 270.377 -0.650 20 0 CBADRP COC[C@]1(CNC(=O)NC[C@H]2COCC[NH2+]2)CCC[NH2+]1 ZINC000627091955 356581740 /nfs/dbraw/zinc/58/17/40/356581740.db2.gz FWUPMDOXQJWLFV-WCQYABFASA-N 2 0 286.376 -0.957 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)NCCOCCC[NH3+])CC[NH2+]1 ZINC000627090433 356581774 /nfs/dbraw/zinc/58/17/74/356581774.db2.gz VTTGPOPLFNNMIH-MNOVXSKESA-N 2 0 258.366 -0.209 20 0 CBADRP C[C@H](CCC[NH3+])NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627096630 356582091 /nfs/dbraw/zinc/58/20/91/356582091.db2.gz XPWMIVYSSOCIIG-GHMZBOCLSA-N 2 0 258.366 -0.520 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000627103944 356583443 /nfs/dbraw/zinc/58/34/43/356583443.db2.gz XWZKPBWHVCBKOJ-UTUOFQBUSA-N 2 0 270.377 -0.520 20 0 CBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627108061 356584687 /nfs/dbraw/zinc/58/46/87/356584687.db2.gz PVDZKIGAWHAZGF-OUAUKWLOSA-N 2 0 258.366 -0.522 20 0 CBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627104909 356584868 /nfs/dbraw/zinc/58/48/68/356584868.db2.gz PVDZKIGAWHAZGF-VWYCJHECSA-N 2 0 258.366 -0.522 20 0 CBADRP O=C(NCCC1CC[NH2+]CC1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627110912 356585177 /nfs/dbraw/zinc/58/51/77/356585177.db2.gz MOQMTSSHWJPTGP-CYBMUJFWSA-N 2 0 284.404 -0.258 20 0 CBADRP [NH3+]CCCOCCNC(=O)NCCC1(C[NH3+])CC1 ZINC000627110178 356585357 /nfs/dbraw/zinc/58/53/57/356585357.db2.gz XUYNDVGGFFBRGW-UHFFFAOYSA-N 2 0 258.366 -0.220 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000627175072 356594589 /nfs/dbraw/zinc/59/45/89/356594589.db2.gz VCNMSHURMYBUJR-LBPRGKRZSA-N 2 0 272.393 -0.185 20 0 CBADRP [NH3+]CCCOCCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000627116898 356585893 /nfs/dbraw/zinc/58/58/93/356585893.db2.gz RAWIMOPWTUFJCG-UHFFFAOYSA-N 2 0 256.350 -0.597 20 0 CBADRP [NH3+]CCCOCCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627126665 356586896 /nfs/dbraw/zinc/58/68/96/356586896.db2.gz IGDNTUOWHSNBDC-NSHDSACASA-N 2 0 270.377 -0.064 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[NH2+]1 ZINC000627118023 356587121 /nfs/dbraw/zinc/58/71/21/356587121.db2.gz NEOOQWTUMVURQR-DTWKUNHWSA-N 2 0 294.359 -0.419 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627131868 356587634 /nfs/dbraw/zinc/58/76/34/356587634.db2.gz XEWCPTSRVKGDOA-DGCLKSJQSA-N 2 0 284.404 -0.117 20 0 CBADRP CC1(NC(=O)NCCOCCC[NH3+])CC[NH2+]CC1 ZINC000627218897 356608016 /nfs/dbraw/zinc/60/80/16/356608016.db2.gz KQMBJAIMDFJQMH-UHFFFAOYSA-N 2 0 258.366 -0.207 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000627218691 356608021 /nfs/dbraw/zinc/60/80/21/356608021.db2.gz CWINOCBZSGGNFA-ZDUSSCGKSA-N 2 0 270.377 -0.253 20 0 CBADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCCOCCC[NH3+] ZINC000627218677 356608080 /nfs/dbraw/zinc/60/80/80/356608080.db2.gz CIGPPNFMSIUWOJ-QWRGUYRKSA-N 2 0 258.366 -0.270 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000627218685 356608103 /nfs/dbraw/zinc/60/81/03/356608103.db2.gz CTXVQZOUVXEYFD-CYBMUJFWSA-N 2 0 299.419 -0.959 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000627219109 356608153 /nfs/dbraw/zinc/60/81/53/356608153.db2.gz PSYKPRMXYSMLQC-NXEZZACHSA-N 2 0 262.329 -0.568 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000627218768 356608403 /nfs/dbraw/zinc/60/84/03/356608403.db2.gz GLTUKCCXIIZIJI-PHIMTYICSA-N 2 0 256.350 -0.787 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000627218603 356608418 /nfs/dbraw/zinc/60/84/18/356608418.db2.gz AFBRTNNXGSVYQD-NSHDSACASA-N 2 0 258.366 -0.125 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000627218874 356608469 /nfs/dbraw/zinc/60/84/69/356608469.db2.gz JVYNEKNPCGOUAG-RYUDHWBXSA-N 2 0 270.377 -0.255 20 0 CBADRP C[C@@H]1CN(C(=O)NCCOCCC[NH3+])CC[C@@H]1[NH3+] ZINC000627219471 356608708 /nfs/dbraw/zinc/60/87/08/356608708.db2.gz XKWHRDZGCJXBCO-MNOVXSKESA-N 2 0 258.366 -0.270 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000627244711 356611381 /nfs/dbraw/zinc/61/13/81/356611381.db2.gz GSVSEEKFQASDNF-VHSXEESVSA-N 2 0 254.334 -0.879 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000627248428 356612166 /nfs/dbraw/zinc/61/21/66/356612166.db2.gz GUFDGSSMRSPWOG-ZIAGYGMSSA-N 2 0 295.431 -0.230 20 0 CBADRP C[NH2+]CCOCCNC(=O)N(C)CC[NH+]1CCCC1 ZINC000627178795 356595594 /nfs/dbraw/zinc/59/55/94/356595594.db2.gz YETJZLCBKZXLRA-UHFFFAOYSA-N 2 0 272.393 -0.040 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627185327 356597864 /nfs/dbraw/zinc/59/78/64/356597864.db2.gz AZWFZXLPGRKHOS-GFCCVEGCSA-N 2 0 270.377 -0.288 20 0 CBADRP O=C(NCC[N@H+]1CC=CCC1)NC[C@@H]1COCC[NH2+]1 ZINC000627188860 356600094 /nfs/dbraw/zinc/60/00/94/356600094.db2.gz CVAXMUUZYROUCR-GFCCVEGCSA-N 2 0 268.361 -0.464 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627188934 356600145 /nfs/dbraw/zinc/60/01/45/356600145.db2.gz ZXYFMXIYFGBCST-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627190302 356600978 /nfs/dbraw/zinc/60/09/78/356600978.db2.gz FBXHDHYETWFMFI-NEPJUHHUSA-N 2 0 272.393 -0.010 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627190602 356601104 /nfs/dbraw/zinc/60/11/04/356601104.db2.gz BCWGKXUCMPZDCO-NWDGAFQWSA-N 2 0 270.377 -0.386 20 0 CBADRP C[NH+](C)CC(C)(C)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627190655 356602012 /nfs/dbraw/zinc/60/20/12/356602012.db2.gz QZYJRVOCUQEUHN-SNVBAGLBSA-N 2 0 258.366 -0.386 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)C[NH2+]1 ZINC000627201098 356604113 /nfs/dbraw/zinc/60/41/13/356604113.db2.gz FEQUAOCILDTEEY-MDZLAQPJSA-N 2 0 272.393 -0.261 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C[NH2+]1 ZINC000627208021 356605107 /nfs/dbraw/zinc/60/51/07/356605107.db2.gz VOSVOXPMYLJOAW-IJLUTSLNSA-N 2 0 269.393 -0.589 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C[NH2+]1 ZINC000627207730 356605371 /nfs/dbraw/zinc/60/53/71/356605371.db2.gz DELPIAAWEXTADZ-QJPTWQEYSA-N 2 0 270.377 -0.507 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)N2CCCO[C@@H](C[NH3+])C2)C[NH2+]1 ZINC000627210794 356605661 /nfs/dbraw/zinc/60/56/61/356605661.db2.gz VOQXDINXYRYJLF-UTUOFQBUSA-N 2 0 270.377 -0.114 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C[NH2+]1 ZINC000627211041 356605693 /nfs/dbraw/zinc/60/56/93/356605693.db2.gz ZWCPRFKYQCLAMJ-RDBSUJKOSA-N 2 0 295.431 -0.184 20 0 CBADRP [NH3+]CCCOCCNC(=O)NCC[N@H+]1CC=CCC1 ZINC000627217253 356607162 /nfs/dbraw/zinc/60/71/62/356607162.db2.gz KABHFRBGEWSXNR-UHFFFAOYSA-N 2 0 270.377 -0.087 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627349361 356630288 /nfs/dbraw/zinc/63/02/88/356630288.db2.gz LPJBSSFDQMDHFD-LYIQGSDWSA-N 2 0 294.399 -0.548 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000627349566 356630573 /nfs/dbraw/zinc/63/05/73/356630573.db2.gz RNMUARUDDYYJMU-MXWKQRLJSA-N 2 0 280.372 -0.794 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)C1CC1 ZINC000627365404 356633595 /nfs/dbraw/zinc/63/35/95/356633595.db2.gz NWLPAHHAHBCSAB-NEPJUHHUSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000627379870 356635981 /nfs/dbraw/zinc/63/59/81/356635981.db2.gz AACUWSXYLJQPMC-WCFLWFBJSA-N 2 0 294.399 -0.547 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000627369283 356634353 /nfs/dbraw/zinc/63/43/53/356634353.db2.gz PUAJGYFBYYJXER-NSHDSACASA-N 2 0 286.420 -0.114 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000627378048 356634729 /nfs/dbraw/zinc/63/47/29/356634729.db2.gz ATUSVMAMFAVFIP-DMDPSCGWSA-N 2 0 294.399 -0.547 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000627378023 356635162 /nfs/dbraw/zinc/63/51/62/356635162.db2.gz ZVCCIDDWKMVZPP-UHFFFAOYSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+]3CC[C@@H](O)C3)C2)CC[N@@H+]1C ZINC000627270193 356618518 /nfs/dbraw/zinc/61/85/18/356618518.db2.gz DNEXGOQTTSIAGU-AAVRWANBSA-N 2 0 281.400 -0.006 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000627291312 356621096 /nfs/dbraw/zinc/62/10/96/356621096.db2.gz QLDPANIAWMOADK-CYBMUJFWSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000627304625 356622562 /nfs/dbraw/zinc/62/25/62/356622562.db2.gz AKEPSIGKPVDQJJ-FVCCEPFGSA-N 2 0 296.415 -0.158 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627311939 356624354 /nfs/dbraw/zinc/62/43/54/356624354.db2.gz LGUSZYKCAFWJGZ-YNEHKIRRSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000627323578 356625742 /nfs/dbraw/zinc/62/57/42/356625742.db2.gz ZGMMZGXNPJVKGK-GXFFZTMASA-N 2 0 294.399 -0.404 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000627325723 356626669 /nfs/dbraw/zinc/62/66/69/356626669.db2.gz SEKWWJCPCCRUOD-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP C[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627331686 356627198 /nfs/dbraw/zinc/62/71/98/356627198.db2.gz FIBXEOBCVMJICJ-GFCCVEGCSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000627341220 356628966 /nfs/dbraw/zinc/62/89/66/356628966.db2.gz BTTKQTAIPZAUDX-WDEREUQCSA-N 2 0 282.388 -0.547 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627423863 356644651 /nfs/dbraw/zinc/64/46/51/356644651.db2.gz YFJMBSMFQWHLDA-GFCCVEGCSA-N 2 0 284.404 -0.441 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627428413 356645697 /nfs/dbraw/zinc/64/56/97/356645697.db2.gz FBFYQHREDOBGPU-GHMZBOCLSA-N 2 0 268.361 -0.935 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000627446638 356648577 /nfs/dbraw/zinc/64/85/77/356648577.db2.gz QWSIFDXLRNEKEP-NWDGAFQWSA-N 2 0 294.399 -0.402 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000627389923 356636938 /nfs/dbraw/zinc/63/69/38/356636938.db2.gz VQOVVAHQMUEPJE-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627392672 356638249 /nfs/dbraw/zinc/63/82/49/356638249.db2.gz BLAKRTNOVAUMBT-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000627398426 356638879 /nfs/dbraw/zinc/63/88/79/356638879.db2.gz MRSFTPDYVWVCDQ-UMSGYPCISA-N 2 0 294.399 -0.404 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC[C@H]21 ZINC000627505380 356660860 /nfs/dbraw/zinc/66/08/60/356660860.db2.gz LJUNWYRFDXEUEU-YNEHKIRRSA-N 2 0 294.399 -0.593 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627506159 356660900 /nfs/dbraw/zinc/66/09/00/356660900.db2.gz BXDFIQMXMBUQNG-MNOVXSKESA-N 2 0 268.361 -0.935 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627505757 356661175 /nfs/dbraw/zinc/66/11/75/356661175.db2.gz FAGXPKQZIOXZJA-CHWSQXEVSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000627499878 356658230 /nfs/dbraw/zinc/65/82/30/356658230.db2.gz DOGFMCKHNNYQDM-WDEREUQCSA-N 2 0 270.377 -0.737 20 0 CBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627504926 356659973 /nfs/dbraw/zinc/65/99/73/356659973.db2.gz MENZEHFUJKIMFS-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP NC(=O)C[C@@H]1C[N@@H+]([C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000629545439 356778653 /nfs/dbraw/zinc/77/86/53/356778653.db2.gz MIDTZDUSIWXCFA-UMSGYPCISA-N 2 0 267.373 -0.049 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000629171817 356752701 /nfs/dbraw/zinc/75/27/01/356752701.db2.gz JIGWNAFJOSITFA-VXGBXAGGSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629173210 356752905 /nfs/dbraw/zinc/75/29/05/356752905.db2.gz PSDKTFBMOJGRJA-CHWSQXEVSA-N 2 0 285.388 -0.863 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000629174465 356754026 /nfs/dbraw/zinc/75/40/26/356754026.db2.gz YEEUUPPDYHFLIO-CQSZACIVSA-N 2 0 298.431 -0.803 20 0 CBADRP CC1CC[NH+](CC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000629174652 356754044 /nfs/dbraw/zinc/75/40/44/356754044.db2.gz VLOIHVOZMSOWLT-CYBMUJFWSA-N 2 0 269.389 -0.099 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCOC2CCOCC2)C1 ZINC000629510203 356774681 /nfs/dbraw/zinc/77/46/81/356774681.db2.gz AVBAIWVBMWZWQL-CYBMUJFWSA-N 2 0 299.415 -0.031 20 0 CBADRP CC[C@@H](C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+](C)C ZINC000629614149 356788059 /nfs/dbraw/zinc/78/80/59/356788059.db2.gz ZCYPYJRYKAEHTK-VIFPVBQESA-N 2 0 267.333 -0.403 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000629653787 356788714 /nfs/dbraw/zinc/78/87/14/356788714.db2.gz NRPHYCDRGUJGSO-CYBMUJFWSA-N 3 0 286.420 -0.649 20 0 CBADRP C[C@@]1(CNCc2nc(C[NH3+])cc(=O)[nH]2)CC[NH2+]C1 ZINC000629652262 356788849 /nfs/dbraw/zinc/78/88/49/356788849.db2.gz FHNBGPWYWFNFMJ-GFCCVEGCSA-N 2 0 251.334 -0.270 20 0 CBADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](CC(N)=O)C2)CC[NH2+]1 ZINC000629666881 356788924 /nfs/dbraw/zinc/78/89/24/356788924.db2.gz RXIYXKPZASEQBW-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP COCCn1cc(C[N@H+](C)CCOCC[NH3+])cn1 ZINC000629662224 356789016 /nfs/dbraw/zinc/78/90/16/356789016.db2.gz GLEVPQUJJLTINT-UHFFFAOYSA-N 2 0 256.350 -0.063 20 0 CBADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)CN1 ZINC000629660335 356789251 /nfs/dbraw/zinc/78/92/51/356789251.db2.gz RWEATNOJVIGUJN-UPJWGTAASA-N 2 0 268.405 -0.086 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629654003 356789374 /nfs/dbraw/zinc/78/93/74/356789374.db2.gz SYDSERITRNAYTP-NXEZZACHSA-N 3 0 265.361 -0.024 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000629792255 356793557 /nfs/dbraw/zinc/79/35/57/356793557.db2.gz JGSMGWLYXHQPSA-CYBMUJFWSA-N 2 0 296.415 -0.120 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000629801584 356796434 /nfs/dbraw/zinc/79/64/34/356796434.db2.gz AUBGGPMPBHYBSM-OLZOCXBDSA-N 2 0 296.415 -0.264 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000629801585 356796638 /nfs/dbraw/zinc/79/66/38/356796638.db2.gz AUBGGPMPBHYBSM-QWHCGFSZSA-N 2 0 296.415 -0.264 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000629810476 356797477 /nfs/dbraw/zinc/79/74/77/356797477.db2.gz ZMLCLDMRSCKSRF-NSHDSACASA-N 2 0 270.377 -0.654 20 0 CBADRP C[NH+]1CCC(CC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000629915040 356807030 /nfs/dbraw/zinc/80/70/30/356807030.db2.gz BNMROGGHFLXIKK-ZDUSSCGKSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)C[N@H+](C)C1CCC1 ZINC000629973874 356813683 /nfs/dbraw/zinc/81/36/83/356813683.db2.gz KHIKEZOFDFUVNF-CYBMUJFWSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)CCOCC[NH3+] ZINC000629575488 356781458 /nfs/dbraw/zinc/78/14/58/356781458.db2.gz OAFLTQSRGKGYAW-NWDGAFQWSA-N 2 0 273.377 -0.423 20 0 CBADRP O[C@H](C[NH2+][C@@H]1CCc2nnnn2CC1)C[NH+]1CCCC1 ZINC000629579238 356782293 /nfs/dbraw/zinc/78/22/93/356782293.db2.gz CHRMXZKSRMFFRY-VXGBXAGGSA-N 2 0 280.376 -0.576 20 0 CBADRP CCN1CCN(C(=O)[C@H](C)[N@H+](C)CCOCC[NH3+])CC1 ZINC000629578539 356782592 /nfs/dbraw/zinc/78/25/92/356782592.db2.gz QJWYSIYKDDGPHL-ZDUSSCGKSA-N 2 0 286.420 -0.554 20 0 CBADRP C[N@H+](CCOCC[NH3+])CCC(=O)N1CCOCC1 ZINC000629578218 356782675 /nfs/dbraw/zinc/78/26/75/356782675.db2.gz HSNUUFZJWLVEFL-UHFFFAOYSA-N 2 0 259.350 -0.858 20 0 CBADRP COC[C@](C)(O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629579544 356782951 /nfs/dbraw/zinc/78/29/51/356782951.db2.gz GMOVUSSZTVFZHP-QWHCGFSZSA-N 2 0 260.378 -0.180 20 0 CBADRP O[C@@H](CNC[C@H](O)C[NH+]1CCCC1)C[NH+]1CCCC1 ZINC000629582624 356783617 /nfs/dbraw/zinc/78/36/17/356783617.db2.gz GMNFYSZBLZANAD-KBPBESRZSA-N 2 0 271.405 -0.511 20 0 CBADRP O[C@H](CNC[C@H](O)C[NH+]1CCCC1)C[NH+]1CCCC1 ZINC000629582629 356783659 /nfs/dbraw/zinc/78/36/59/356783659.db2.gz GMNFYSZBLZANAD-OKILXGFUSA-N 2 0 271.405 -0.511 20 0 CBADRP CC(=O)NC[C@@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000629595574 356784953 /nfs/dbraw/zinc/78/49/53/356784953.db2.gz UDGSNDUSLCMKME-AWEZNQCLSA-N 2 0 268.405 -0.118 20 0 CBADRP OC[C@H](C[NH+]1CCCCC1)NC[C@H](O)C[NH+]1CCCC1 ZINC000629596025 356785197 /nfs/dbraw/zinc/78/51/97/356785197.db2.gz QADQRNGGCSXGER-GJZGRUSLSA-N 2 0 285.432 -0.121 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000629608230 356787274 /nfs/dbraw/zinc/78/72/74/356787274.db2.gz WCBXJFKEDPXVCS-ZNMIVQPWSA-N 2 0 283.416 -0.248 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC[C@H](O)C[NH+]1CCCC1 ZINC000629610026 356787398 /nfs/dbraw/zinc/78/73/98/356787398.db2.gz ZNORLHCQHOZXNL-KBPBESRZSA-N 2 0 298.431 -0.628 20 0 CBADRP CO[C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)[C@@](C)(C[NH3+])C1 ZINC000630358392 356837167 /nfs/dbraw/zinc/83/71/67/356837167.db2.gz AOLDPTANYJDVHP-MBNYWOFBSA-N 2 0 285.388 -0.280 20 0 CBADRP c1c(CCN2CC[NH2+]CC2)nnn1[C@H]1CCC[NH2+]C1 ZINC000630596495 356854439 /nfs/dbraw/zinc/85/44/39/356854439.db2.gz OTZQWTCRPLKTNC-ZDUSSCGKSA-N 2 0 264.377 -0.350 20 0 CBADRP c1c(C[C@H]2CCC[NH2+]C2)nnn1C[C@H]1C[NH2+]CCO1 ZINC000630616301 356855433 /nfs/dbraw/zinc/85/54/33/356855433.db2.gz IDKWQYMSMOSRGX-DGCLKSJQSA-N 2 0 265.361 -0.191 20 0 CBADRP c1c(CN2CC[NH2+]CC2)nnn1CC[NH+]1CCCC1 ZINC000630618163 356855987 /nfs/dbraw/zinc/85/59/87/356855987.db2.gz PRLVZXTYCMMJGL-UHFFFAOYSA-N 2 0 264.377 -0.221 20 0 CBADRP CN1CCC[C@@H](NS(=O)(=O)CCC[NH+](C)C)C1 ZINC000631783732 356906719 /nfs/dbraw/zinc/90/67/19/356906719.db2.gz DHSKQJBVAZIPPR-LLVKDONJSA-N 2 0 263.407 -0.048 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)[C@@H]1CCN(C2CCC2)C1=O ZINC000631821570 356908884 /nfs/dbraw/zinc/90/88/84/356908884.db2.gz BVSYTVPBLJTLFO-CQSZACIVSA-N 2 0 280.416 -0.023 20 0 CBADRP [NH3+]CC1(O)CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000631828682 356909913 /nfs/dbraw/zinc/90/99/13/356909913.db2.gz VMNMCNMZGZZZTA-GFCCVEGCSA-N 2 0 267.373 -0.075 20 0 CBADRP O=C(CN1C[C@@H]2C[C@H]1C[NH2+]2)NC1CC[NH+](C2CC2)CC1 ZINC000631848568 356912254 /nfs/dbraw/zinc/91/22/54/356912254.db2.gz BZJDIVCYBQIGSW-JSGCOSHPSA-N 2 0 278.400 -0.225 20 0 CBADRP CS(=O)(=O)N[C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000631867335 356914625 /nfs/dbraw/zinc/91/46/25/356914625.db2.gz QWWJICQMYBOJLC-NEPJUHHUSA-N 2 0 275.418 0.000 20 0 CBADRP O=C(CCN1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC000631890993 356916513 /nfs/dbraw/zinc/91/65/13/356916513.db2.gz WTBALMHBDJMKMP-ZIAGYGMSSA-N 2 0 280.416 -0.118 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@H]1CCC[NH2+]C1 ZINC000631901166 356917714 /nfs/dbraw/zinc/91/77/14/356917714.db2.gz STWKMMQNXTZBCT-JTQLQIEISA-N 2 0 276.406 -0.743 20 0 CBADRP CC[NH2+]CCCNS(=O)(=O)CCC[NH+](C)C ZINC000631901501 356917788 /nfs/dbraw/zinc/91/77/88/356917788.db2.gz FTWAYZRADCSSAL-UHFFFAOYSA-N 2 0 251.396 -0.143 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631901739 356917931 /nfs/dbraw/zinc/91/79/31/356917931.db2.gz MRGPRRJLRPWLEO-TUAOUCFPSA-N 2 0 291.417 -0.494 20 0 CBADRP C[NH2+]CC1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631904080 356919843 /nfs/dbraw/zinc/91/98/43/356919843.db2.gz CVZXXBBUKDBJFO-GFCCVEGCSA-N 2 0 291.417 -0.764 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631905232 356920397 /nfs/dbraw/zinc/92/03/97/356920397.db2.gz IDLYFALNZGRNTC-TUAOUCFPSA-N 2 0 291.417 -0.588 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCC(C)(C)[NH3+] ZINC000631906045 356921192 /nfs/dbraw/zinc/92/11/92/356921192.db2.gz BAEVRBQNZFJDQK-UHFFFAOYSA-N 2 0 264.395 -0.758 20 0 CBADRP CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631907984 356921729 /nfs/dbraw/zinc/92/17/29/356921729.db2.gz YQMSXBBKQNYEJU-NEPJUHHUSA-N 2 0 293.433 -0.390 20 0 CBADRP CCCC[N@H+](C)CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631919937 356923172 /nfs/dbraw/zinc/92/31/72/356923172.db2.gz PBTRXXUQHVYZRI-GFCCVEGCSA-N 2 0 293.433 -0.374 20 0 CBADRP C[C@@H](C[NH3+])CNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631931975 356924688 /nfs/dbraw/zinc/92/46/88/356924688.db2.gz PCWWSANZPXUXDS-LBPRGKRZSA-N 2 0 292.449 -0.862 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000631930161 356925172 /nfs/dbraw/zinc/92/51/72/356925172.db2.gz YNBNUYQDWJBDFW-GFCCVEGCSA-N 2 0 275.418 -0.047 20 0 CBADRP C[C@@H]1C[C@@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000631931930 356925352 /nfs/dbraw/zinc/92/53/52/356925352.db2.gz JZWVQABRVYAXLY-OUAUKWLOSA-N 2 0 277.390 -0.965 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000631930554 356925474 /nfs/dbraw/zinc/92/54/74/356925474.db2.gz OUILXYAGQKIBFS-QWRGUYRKSA-N 2 0 290.433 -0.226 20 0 CBADRP [NH3+]C[C@H]1CN(S(=O)(=O)CCC[NH+]2CCCC2)CCO1 ZINC000631929940 356925576 /nfs/dbraw/zinc/92/55/76/356925576.db2.gz RPYVTGVSSMINCY-LBPRGKRZSA-N 2 0 291.417 -0.538 20 0 CBADRP CC[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000631932629 356926150 /nfs/dbraw/zinc/92/61/50/356926150.db2.gz WZNKVSUWIDYTHP-GRYCIOLGSA-N 2 0 291.417 -0.636 20 0 CBADRP C[C@H]1C[C@@H](NS(=O)(=O)CCC[NH+](C)C)CC[NH2+]1 ZINC000631932318 356926267 /nfs/dbraw/zinc/92/62/67/356926267.db2.gz NIIXYUPKHFBCMZ-QWRGUYRKSA-N 2 0 263.407 -0.002 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)CCC[NH+](C)C ZINC000631935092 356927073 /nfs/dbraw/zinc/92/70/73/356927073.db2.gz PNSFWGSUDNQXCW-WDEREUQCSA-N 2 0 263.407 -0.145 20 0 CBADRP CCC[NH2+]CCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631933834 356927296 /nfs/dbraw/zinc/92/72/96/356927296.db2.gz VBESIEGODUELLB-UHFFFAOYSA-N 2 0 278.422 -0.496 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@@H]1CCC[NH2+]CC1 ZINC000631934988 356927398 /nfs/dbraw/zinc/92/73/98/356927398.db2.gz OQDHNNZQYBZFDY-MNOVXSKESA-N 2 0 277.390 -0.964 20 0 CBADRP C[C@H]1[NH2+]CCN(S(=O)(=O)N(C)C2CC[NH2+]CC2)[C@H]1C ZINC000631935110 356927498 /nfs/dbraw/zinc/92/74/98/356927498.db2.gz DGXNNLODUWPBMJ-MNOVXSKESA-N 2 0 290.433 -0.403 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631935864 356927760 /nfs/dbraw/zinc/92/77/60/356927760.db2.gz OEUBLTZKANGRND-AXFHLTTASA-N 2 0 277.390 -0.965 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000631939394 356928941 /nfs/dbraw/zinc/92/89/41/356928941.db2.gz ZEBFUYNNEZXYDC-WDEREUQCSA-N 2 0 289.401 -0.964 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000631941770 356929582 /nfs/dbraw/zinc/92/95/82/356929582.db2.gz GSPHMPCPDVHVIJ-NSHDSACASA-N 2 0 290.433 -0.353 20 0 CBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCCC[NH2+]C1CC1 ZINC000631942044 356929721 /nfs/dbraw/zinc/92/97/21/356929721.db2.gz ODDLNAZIDVZKTL-LLVKDONJSA-N 2 0 277.390 -0.964 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631947073 356931146 /nfs/dbraw/zinc/93/11/46/356931146.db2.gz TZDNTSVNGOVRTG-NXEZZACHSA-N 2 0 278.422 -0.370 20 0 CBADRP [NH3+]CCC1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631948973 356931258 /nfs/dbraw/zinc/93/12/58/356931258.db2.gz VMKJTHAAKCQWGN-GFCCVEGCSA-N 2 0 291.417 -0.635 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631947154 356931416 /nfs/dbraw/zinc/93/14/16/356931416.db2.gz VVVOHXUDBLPVFW-GUBZILKMSA-N 2 0 265.379 -0.980 20 0 CBADRP C[C@H](CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[NH+](C)C ZINC000631950331 356931951 /nfs/dbraw/zinc/93/19/51/356931951.db2.gz GFODNLSSZZHKGE-MNOVXSKESA-N 2 0 279.406 -0.766 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631949206 356932048 /nfs/dbraw/zinc/93/20/48/356932048.db2.gz BZPVTMGRIPZECM-TUAOUCFPSA-N 2 0 291.417 -0.766 20 0 CBADRP C[NH2+]C[C@H](C)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631952941 356932948 /nfs/dbraw/zinc/93/29/48/356932948.db2.gz XYQXUIGNHAZHFD-LBPRGKRZSA-N 2 0 292.449 -0.849 20 0 CBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000631954226 356933806 /nfs/dbraw/zinc/93/38/06/356933806.db2.gz FQRXNLUMRNUXBA-GHMZBOCLSA-N 2 0 289.401 -0.821 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCC1([NH+](C)C)CC1 ZINC000631962328 356935956 /nfs/dbraw/zinc/93/59/56/356935956.db2.gz LZHGATDMLAUUGU-UHFFFAOYSA-N 2 0 290.433 -0.401 20 0 CBADRP CNS(=O)(=O)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000631708730 356902407 /nfs/dbraw/zinc/90/24/07/356902407.db2.gz GMYYBJLLRLKRGI-WDEREUQCSA-N 2 0 263.407 -0.002 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632860114 357028830 /nfs/dbraw/zinc/02/88/30/357028830.db2.gz FBRHUDCIPSWYCL-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632879450 357029825 /nfs/dbraw/zinc/02/98/25/357029825.db2.gz SVLWCSGSOJINPL-YNEHKIRRSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633078155 357040932 /nfs/dbraw/zinc/04/09/32/357040932.db2.gz IAJCXBUHIBJVCR-AVGNSLFASA-N 2 0 294.399 -0.498 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633099410 357045679 /nfs/dbraw/zinc/04/56/79/357045679.db2.gz SWVYNKDOOHUFFU-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000633114945 357048993 /nfs/dbraw/zinc/04/89/93/357048993.db2.gz FAJILERLCDINRI-UPJWGTAASA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000633115444 357049358 /nfs/dbraw/zinc/04/93/58/357049358.db2.gz JTXIYESFWOCOEX-AAEUAGOBSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000633116122 357049488 /nfs/dbraw/zinc/04/94/88/357049488.db2.gz PFSBXIBAOJFHTC-IJLUTSLNSA-N 2 0 282.388 -0.513 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000633118259 357050146 /nfs/dbraw/zinc/05/01/46/357050146.db2.gz IDVHGVVTCDZLQG-RYUDHWBXSA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000633118260 357050171 /nfs/dbraw/zinc/05/01/71/357050171.db2.gz IDVHGVVTCDZLQG-VXGBXAGGSA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000633117208 357050296 /nfs/dbraw/zinc/05/02/96/357050296.db2.gz AWHNWZOSWYDVAO-WDEREUQCSA-N 2 0 282.388 -0.513 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000633120856 357050620 /nfs/dbraw/zinc/05/06/20/357050620.db2.gz VEWCJGAKHFHNBP-STQMWFEESA-N 2 0 296.415 -0.121 20 0 CBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000633118756 357050726 /nfs/dbraw/zinc/05/07/26/357050726.db2.gz SOENXUBIKSLORY-UHFFFAOYSA-N 2 0 284.404 -0.264 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000633141376 357051863 /nfs/dbraw/zinc/05/18/63/357051863.db2.gz JORTWDLPUXSVBK-OLZOCXBDSA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000633141379 357052275 /nfs/dbraw/zinc/05/22/75/357052275.db2.gz JORTWDLPUXSVBK-STQMWFEESA-N 2 0 296.415 -0.121 20 0 CBADRP COCC[NH2+]CCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634270599 357114016 /nfs/dbraw/zinc/11/40/16/357114016.db2.gz OPXYXJGLQHGMCI-LLVKDONJSA-N 2 0 258.366 -0.336 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634765503 357134034 /nfs/dbraw/zinc/13/40/34/357134034.db2.gz UZLUFNZPMCRGJV-WZRBSPASSA-N 2 0 253.346 -0.377 20 0 CBADRP CC(C)[C@H](C[NH3+])CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000634991133 357141740 /nfs/dbraw/zinc/14/17/40/357141740.db2.gz RAHFUUDBOHHCPU-GFCCVEGCSA-N 2 0 256.394 -0.419 20 0 CBADRP C[C@@]12C[NH+](CC34CC(C3)C[NH2+]4)C[C@@]1(C)C(=O)NC2=O ZINC000634998176 357142182 /nfs/dbraw/zinc/14/21/82/357142182.db2.gz BUPQKMNHADPBJC-XBNWETJKSA-N 2 0 263.341 -0.277 20 0 CBADRP CNS(=O)(=O)CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000635005159 357142594 /nfs/dbraw/zinc/14/25/94/357142594.db2.gz HDLIBCUWOZJRPO-SDDRHHMPSA-N 2 0 275.418 -0.097 20 0 CBADRP C[NH+](C)CC1(C(=O)NCCN2CC[NH+](C)CC2)CC1 ZINC000635160435 357150603 /nfs/dbraw/zinc/15/06/03/357150603.db2.gz GVMSXXIHKNLWEA-UHFFFAOYSA-N 2 0 268.405 -0.308 20 0 CBADRP NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000635457100 357164416 /nfs/dbraw/zinc/16/44/16/357164416.db2.gz BTARCPLGIGFNQO-UHFFFAOYSA-N 2 0 291.355 -0.805 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(N)=O ZINC000635466416 357166546 /nfs/dbraw/zinc/16/65/46/357166546.db2.gz VRAZLKNLMYWRLL-NSHDSACASA-N 2 0 270.377 -0.654 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2C[C@@H]3COC[C@@H]3C2)C1=O ZINC000634533871 357122940 /nfs/dbraw/zinc/12/29/40/357122940.db2.gz SDUXFJWPKSOPQA-GRYCIOLGSA-N 2 0 281.356 -0.746 20 0 CBADRP Cn1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c(=O)n(C)c1=O ZINC000634732358 357131094 /nfs/dbraw/zinc/13/10/94/357131094.db2.gz DPSOLIKXQNUWBG-LBPRGKRZSA-N 2 0 294.399 -0.048 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635728442 357197521 /nfs/dbraw/zinc/19/75/21/357197521.db2.gz XRZFJLLYUSLBAP-AAEUAGOBSA-N 2 0 257.378 -0.243 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N1CC([NH+](C)C)C1 ZINC000635745283 357200166 /nfs/dbraw/zinc/20/01/66/357200166.db2.gz VEMYMDLUHQWGOD-UHFFFAOYSA-N 2 0 287.404 -0.256 20 0 CBADRP C[C@H](C(=O)N1CCN(C(=O)[C@@H](C)[NH+](C)C)[C@H](C)C1)[NH+](C)C ZINC000635811224 357210944 /nfs/dbraw/zinc/21/09/44/357210944.db2.gz IKSLHZNJNMDYAB-JHJVBQTASA-N 2 0 298.431 -0.054 20 0 CBADRP C[C@H](C(=O)N[C@H](CO)C[NH+]1CCCCC1)[NH+](C)C ZINC000635915578 357232890 /nfs/dbraw/zinc/23/28/90/357232890.db2.gz WWOTWGXKTPSDSX-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H](C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)[NH+](C)C ZINC000635928457 357235385 /nfs/dbraw/zinc/23/53/85/357235385.db2.gz GPFUKRFWVZOCBB-UTUOFQBUSA-N 2 0 255.362 -0.396 20 0 CBADRP C[NH+](C)CC1(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000635948316 357237642 /nfs/dbraw/zinc/23/76/42/357237642.db2.gz LBIBFYHPADSCCF-QWRGUYRKSA-N 2 0 255.362 -0.539 20 0 CBADRP C[C@H](C(=O)NC[C@H](C)N(C)C(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000635545067 357174800 /nfs/dbraw/zinc/17/48/00/357174800.db2.gz PNEUDLFEVGTLRS-QJPTWQEYSA-N 2 0 286.420 -0.150 20 0 CBADRP C[C@H](C(=O)NC[C@H](C)N1CC[NH+](C)CC1)[NH+](C)C ZINC000635558746 357176000 /nfs/dbraw/zinc/17/60/00/357176000.db2.gz NEFCNNSIAKCDQL-NWDGAFQWSA-N 2 0 256.394 -0.311 20 0 CBADRP C[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000636468848 357286709 /nfs/dbraw/zinc/28/67/09/357286709.db2.gz UFZGYDISIMDWDZ-LBPRGKRZSA-N 2 0 270.377 -0.554 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000636578682 357289927 /nfs/dbraw/zinc/28/99/27/357289927.db2.gz NLODGZOFCIYYIA-BFHYXJOUSA-N 2 0 296.415 -0.021 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000636596609 357291855 /nfs/dbraw/zinc/29/18/55/357291855.db2.gz SUSISALAZONIJA-MGPQQGTHSA-N 2 0 296.415 -0.021 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000636624531 357294093 /nfs/dbraw/zinc/29/40/93/357294093.db2.gz VWGRJRAUZTUXGJ-VXGBXAGGSA-N 2 0 270.377 -0.554 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000636645219 357295441 /nfs/dbraw/zinc/29/54/41/357295441.db2.gz NSIRXJVMMQXLSI-VXGBXAGGSA-N 2 0 270.377 -0.554 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636665492 357295766 /nfs/dbraw/zinc/29/57/66/357295766.db2.gz LPMZERYTEMFZCJ-NEPJUHHUSA-N 2 0 272.393 -0.308 20 0 CBADRP C[C@H]1C[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000636844698 357306643 /nfs/dbraw/zinc/30/66/43/357306643.db2.gz KYQFEQASYFSJQW-YNEHKIRRSA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@@H](C(=O)N[C@H]1CCC[N@H+](CCCO)C1)[NH+](C)C ZINC000635977257 357242756 /nfs/dbraw/zinc/24/27/56/357242756.db2.gz YVQGSYVWXQBDEV-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000635998374 357247617 /nfs/dbraw/zinc/24/76/17/357247617.db2.gz DRLJCVUETRQQDM-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[NH+](C)C ZINC000636181467 357269835 /nfs/dbraw/zinc/26/98/35/357269835.db2.gz DEYARDLYLWJWDS-LLVKDONJSA-N 2 0 272.393 -0.585 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000636257065 357274581 /nfs/dbraw/zinc/27/45/81/357274581.db2.gz ZTWMSXUUFAURPY-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000637812958 357369436 /nfs/dbraw/zinc/36/94/36/357369436.db2.gz GJDZHEKFFIXTTM-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP [NH3+]C[C@@]1(C(=O)NC[C@@H]2CCC[NH2+]C2)CCCOC1 ZINC000637815089 357369611 /nfs/dbraw/zinc/36/96/11/357369611.db2.gz RTPYNXVDIVPIKA-YPMHNXCESA-N 2 0 255.362 -0.142 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@@H+]1C ZINC000637813097 357369789 /nfs/dbraw/zinc/36/97/89/357369789.db2.gz JLTUICWMXJPOKJ-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000637826643 357371670 /nfs/dbraw/zinc/37/16/70/357371670.db2.gz VSUHWCNBNRIDAZ-UHFFFAOYSA-N 2 0 253.350 -0.216 20 0 CBADRP [NH3+]C[C@@]1(C(=O)NCC[C@@H]2CC[NH2+]C2)CCCOC1 ZINC000637832839 357372641 /nfs/dbraw/zinc/37/26/41/357372641.db2.gz LEKSDQARQSDFRC-AAEUAGOBSA-N 2 0 255.362 -0.142 20 0 CBADRP C[C@@H]([NH3+])C1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000637828258 357372757 /nfs/dbraw/zinc/37/27/57/357372757.db2.gz DLEPJNPLQDHRMO-LLVKDONJSA-N 2 0 254.378 -0.523 20 0 CBADRP COC[C@@]1(C(=O)N(C)CCN2CC[NH2+]CC2)CCCC[NH2+]1 ZINC000637832194 357372881 /nfs/dbraw/zinc/37/28/81/357372881.db2.gz FYECUMCKAGDQKO-OAHLLOKOSA-N 2 0 298.431 -0.491 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000637833460 357373703 /nfs/dbraw/zinc/37/37/03/357373703.db2.gz SCSOHUHZBBSTKR-LBPRGKRZSA-N 2 0 252.362 -0.603 20 0 CBADRP C[C@H]1C[C@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)C[N@@H+]1C1CC1 ZINC000636907202 357311266 /nfs/dbraw/zinc/31/12/66/357311266.db2.gz LUXPAJSWVRIAQY-OBJOEFQTSA-N 2 0 296.415 -0.023 20 0 CBADRP CC[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000636912586 357311625 /nfs/dbraw/zinc/31/16/25/357311625.db2.gz KGWXIQCNNNCLRY-YNEHKIRRSA-N 2 0 284.404 -0.308 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000636923892 357312650 /nfs/dbraw/zinc/31/26/50/357312650.db2.gz ZUEWBNAACWXYMG-YUTCNCBUSA-N 2 0 296.415 -0.165 20 0 CBADRP C[NH+](C)C1(CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)CCC1 ZINC000637069585 357320286 /nfs/dbraw/zinc/32/02/86/357320286.db2.gz CXCYEYGZBUJTOT-LBPRGKRZSA-N 2 0 284.404 -0.164 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@H]1CCc2[nH]cnc2C1 ZINC000637157302 357326692 /nfs/dbraw/zinc/32/66/92/357326692.db2.gz SNPIRDBTCNZAHV-WDEREUQCSA-N 2 0 293.371 -0.367 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)C1 ZINC000637840977 357375564 /nfs/dbraw/zinc/37/55/64/357375564.db2.gz QMXSDGPECLPJNH-DCQANWLSSA-N 2 0 255.362 -0.038 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000637283636 357337690 /nfs/dbraw/zinc/33/76/90/357337690.db2.gz WILINDZGILNGJZ-OLZOCXBDSA-N 2 0 284.404 -0.164 20 0 CBADRP O=C(NCCNc1cc[nH+]cc1)NCC[NH2+]C1CC1 ZINC000637329303 357339656 /nfs/dbraw/zinc/33/96/56/357339656.db2.gz JALCSOHQZZZBIN-UHFFFAOYSA-N 2 0 263.345 -0.033 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000637316939 357339782 /nfs/dbraw/zinc/33/97/82/357339782.db2.gz JGCLFKQWLHEUPB-RYUDHWBXSA-N 2 0 284.404 -0.165 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000637532932 357356148 /nfs/dbraw/zinc/35/61/48/357356148.db2.gz OPABWNVGGFSJDO-RWMBFGLXSA-N 2 0 282.388 -0.459 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N[C@H](C[NH3+])C2CC2)cn1 ZINC000637853852 357377437 /nfs/dbraw/zinc/37/74/37/357377437.db2.gz BEQMLYPCDZIGPR-GFCCVEGCSA-N 2 0 265.361 -0.088 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000637799294 357365623 /nfs/dbraw/zinc/36/56/23/357365623.db2.gz XHSUTTGOZLUFEN-GXTWGEPZSA-N 2 0 284.404 -0.835 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N1CCC([NH3+])CC1 ZINC000637799143 357365828 /nfs/dbraw/zinc/36/58/28/357365828.db2.gz RCPPACOWCSYYFW-UHFFFAOYSA-N 2 0 287.404 -0.079 20 0 CBADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)CN1CC[NH2+]CC1 ZINC000637803747 357366990 /nfs/dbraw/zinc/36/69/90/357366990.db2.gz HXBIXWACQUJCNA-ZDUSSCGKSA-N 2 0 292.383 -0.284 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000637805274 357367961 /nfs/dbraw/zinc/36/79/61/357367961.db2.gz XJMSTILIIKWBQO-AAEUAGOBSA-N 2 0 255.362 -0.049 20 0 CBADRP COc1cccc([C@H]([NH3+])C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000637810357 357368913 /nfs/dbraw/zinc/36/89/13/357368913.db2.gz HDICFXDKEQSLOM-AWEZNQCLSA-N 2 0 292.383 -0.284 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C1(C[NH+](C)C)CC1 ZINC000637811357 357368941 /nfs/dbraw/zinc/36/89/41/357368941.db2.gz STRPWPHVKRSOAR-UHFFFAOYSA-N 2 0 282.388 -0.782 20 0 CBADRP C[C@]1(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C[NH2+]CCO1 ZINC000638235822 357441120 /nfs/dbraw/zinc/44/11/20/357441120.db2.gz ZXHVHPRLXONHLF-ZIAGYGMSSA-N 2 0 267.373 -0.033 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000638238560 357441276 /nfs/dbraw/zinc/44/12/76/357441276.db2.gz ADWPOMUYMUFTKI-UPJWGTAASA-N 2 0 267.373 -0.049 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000638238561 357441561 /nfs/dbraw/zinc/44/15/61/357441561.db2.gz ADWPOMUYMUFTKI-XQQFMLRXSA-N 2 0 267.373 -0.049 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638047601 357404852 /nfs/dbraw/zinc/40/48/52/357404852.db2.gz IHBFNHXBISWPLR-DGCLKSJQSA-N 2 0 255.362 -0.035 20 0 CBADRP CCCN(C(=O)CN1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000638046800 357405439 /nfs/dbraw/zinc/40/54/39/357405439.db2.gz JELRALUVFRBUHA-UHFFFAOYSA-N 2 0 268.405 -0.118 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC2CC[NH+](C)CC2)C1 ZINC000638049884 357406487 /nfs/dbraw/zinc/40/64/87/357406487.db2.gz HVMGNTDPXYCLCL-WCQYABFASA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)CN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000638058287 357407903 /nfs/dbraw/zinc/40/79/03/357407903.db2.gz AFADCAVWFGUUSN-ZIAGYGMSSA-N 2 0 298.431 -0.493 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000638067502 357408348 /nfs/dbraw/zinc/40/83/48/357408348.db2.gz RITVDMYHVXGADG-UKRRQHHQSA-N 2 0 299.415 -0.018 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NC1CC[NH+](CC2CC2)CC1 ZINC000638071448 357410081 /nfs/dbraw/zinc/41/00/81/357410081.db2.gz DFZNZKFZXDNZCH-UHFFFAOYSA-N 2 0 280.416 -0.118 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000638075063 357410710 /nfs/dbraw/zinc/41/07/10/357410710.db2.gz PXNIGZKOAXXJLP-KXNHARMFSA-N 2 0 253.346 -0.154 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)C1CC1 ZINC000638075707 357411180 /nfs/dbraw/zinc/41/11/80/357411180.db2.gz HCJBOLDTCAFTPX-AAEUAGOBSA-N 2 0 255.362 -0.179 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000638240275 357442292 /nfs/dbraw/zinc/44/22/92/357442292.db2.gz ICUKSNBRNGHDRS-ZIAGYGMSSA-N 2 0 280.416 -0.166 20 0 CBADRP C[NH+]1CCC(CNC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638084936 357413664 /nfs/dbraw/zinc/41/36/64/357413664.db2.gz HVAOVVOEWKNJAV-CYBMUJFWSA-N 2 0 255.362 -0.177 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000638090475 357414125 /nfs/dbraw/zinc/41/41/25/357414125.db2.gz XLKQVVWLDAVESF-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638091428 357414471 /nfs/dbraw/zinc/41/44/71/357414471.db2.gz NYNBEGGFEUUGLN-CYBMUJFWSA-N 2 0 273.377 -0.564 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)[C@@]2(C)C[NH2+]CCO2)cn1 ZINC000638091109 357414874 /nfs/dbraw/zinc/41/48/74/357414874.db2.gz QBKYUDIDPYRHFI-CYBMUJFWSA-N 2 0 281.360 -0.238 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000638094546 357415820 /nfs/dbraw/zinc/41/58/20/357415820.db2.gz JIKSSMMIIINBAK-UTUOFQBUSA-N 2 0 253.346 -0.201 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638098447 357416143 /nfs/dbraw/zinc/41/61/43/357416143.db2.gz FYOYGTFUXPWQSR-OAHLLOKOSA-N 2 0 299.415 -0.018 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@]2(COC)CCCC[NH2+]2)C1 ZINC000638100834 357417270 /nfs/dbraw/zinc/41/72/70/357417270.db2.gz MWVVRTAAABDXAX-DZGCQCFKSA-N 2 0 299.415 -0.018 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638099400 357417402 /nfs/dbraw/zinc/41/74/02/357417402.db2.gz HMGGKMJYTNZFCA-AAEUAGOBSA-N 2 0 271.361 -0.798 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000638102084 357417866 /nfs/dbraw/zinc/41/78/66/357417866.db2.gz RQFDALCZBZGGJH-TUAOUCFPSA-N 2 0 253.346 -0.297 20 0 CBADRP CN(C(=O)[C@@H]1OCC[C@@H]1[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000638102196 357418249 /nfs/dbraw/zinc/41/82/49/357418249.db2.gz TZPNSWFPVIXQSR-GRYCIOLGSA-N 2 0 253.346 -0.202 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)c1cnc(C[NH3+])nc1 ZINC000638122355 357421778 /nfs/dbraw/zinc/42/17/78/357421778.db2.gz JWIRMVVGMPBOMV-UHFFFAOYSA-N 2 0 281.360 -0.367 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638124170 357421869 /nfs/dbraw/zinc/42/18/69/357421869.db2.gz SNXZXHZNBFDKOP-WDEREUQCSA-N 2 0 259.350 -0.813 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638130082 357422464 /nfs/dbraw/zinc/42/24/64/357422464.db2.gz HSEGORPSKCJJPW-GXTWGEPZSA-N 2 0 287.404 -0.162 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638127612 357422649 /nfs/dbraw/zinc/42/26/49/357422649.db2.gz DYAVGTDJQYUEKN-UHFFFAOYSA-N 2 0 297.447 -0.966 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638130200 357423437 /nfs/dbraw/zinc/42/34/37/357423437.db2.gz HSEGORPSKCJJPW-OCCSQVGLSA-N 2 0 287.404 -0.162 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000638135479 357423687 /nfs/dbraw/zinc/42/36/87/357423687.db2.gz BTSXGYWMJIKHIP-GXTWGEPZSA-N 2 0 284.404 -0.883 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000638137280 357424248 /nfs/dbraw/zinc/42/42/48/357424248.db2.gz SXHGCSHRYLSFQG-UHFFFAOYSA-N 2 0 289.383 -0.365 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638134736 357424346 /nfs/dbraw/zinc/42/43/46/357424346.db2.gz OIFVKIGMXNDBEA-SASUGWTJSA-N 2 0 253.346 -0.299 20 0 CBADRP C[C@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)N1CC[NH+](C)CC1 ZINC000638139698 357425300 /nfs/dbraw/zinc/42/53/00/357425300.db2.gz GDZKHMJSSYYYRM-TZMCWYRMSA-N 2 0 284.404 -0.883 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000638143226 357426154 /nfs/dbraw/zinc/42/61/54/357426154.db2.gz GWWWZILBAKRBNH-SNVBAGLBSA-N 2 0 253.350 -0.231 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)C1 ZINC000638149941 357426618 /nfs/dbraw/zinc/42/66/18/357426618.db2.gz ULFZJBVZKUUEJV-BLFANLJRSA-N 2 0 255.362 -0.051 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000638153131 357427089 /nfs/dbraw/zinc/42/70/89/357427089.db2.gz CIMCEBUBHGHUGA-DCQANWLSSA-N 2 0 255.362 -0.051 20 0 CBADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCC1C[NH2+]C1 ZINC000638154166 357427329 /nfs/dbraw/zinc/42/73/29/357427329.db2.gz RRWPKFFPQHSKAV-CQSZACIVSA-N 2 0 276.384 -0.219 20 0 CBADRP C[C@]1(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C[NH2+]CCO1 ZINC000638166015 357429480 /nfs/dbraw/zinc/42/94/80/357429480.db2.gz UPBFLOQVILSQCT-CIQGVGRVSA-N 2 0 267.373 -0.049 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000638169606 357430234 /nfs/dbraw/zinc/43/02/34/357430234.db2.gz HWBGVHPEWSFNAM-ZDUSSCGKSA-N 2 0 252.362 -0.896 20 0 CBADRP COc1cccc([C@@H]([NH3+])C(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000638173297 357431001 /nfs/dbraw/zinc/43/10/01/357431001.db2.gz VNOXVGCQZKLZOB-QWHCGFSZSA-N 2 0 279.340 -0.119 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000638202466 357434149 /nfs/dbraw/zinc/43/41/49/357434149.db2.gz QJKGEJBUAAIIFL-KQXIARHKSA-N 2 0 255.362 -0.132 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638204270 357434201 /nfs/dbraw/zinc/43/42/01/357434201.db2.gz PHRIIDPKXMLEHL-WZRBSPASSA-N 2 0 255.362 -0.144 20 0 CBADRP [NH3+]C[C@]1(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CCCOC1 ZINC000638203515 357434541 /nfs/dbraw/zinc/43/45/41/357434541.db2.gz VBKZGMVKMFQOHV-SGMGOOAPSA-N 2 0 267.373 -0.048 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C[NH2+]CCO1 ZINC000638199304 357434608 /nfs/dbraw/zinc/43/46/08/357434608.db2.gz COXADPOGIZKQGV-DMDPSCGWSA-N 2 0 253.346 -0.425 20 0 CBADRP C[C@@]1(C(=O)N2CCC[C@@H](CC[NH3+])C2)C[NH2+]CCO1 ZINC000638218938 357436280 /nfs/dbraw/zinc/43/62/80/357436280.db2.gz UUGLRJRHBPMNBD-AAEUAGOBSA-N 2 0 255.362 -0.048 20 0 CBADRP COCC1(CNC(=O)CN2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000638225534 357437110 /nfs/dbraw/zinc/43/71/10/357437110.db2.gz ZRSRBAIDKKTQBT-UHFFFAOYSA-N 2 0 284.404 -0.976 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CN1CC[NH2+]CC1 ZINC000638225053 357437756 /nfs/dbraw/zinc/43/77/56/357437756.db2.gz VQBVBWIJJJBFSH-QWRGUYRKSA-N 2 0 258.341 -0.950 20 0 CBADRP COC[C@]1(CNC(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CCC[NH2+]1 ZINC000638228589 357438555 /nfs/dbraw/zinc/43/85/55/357438555.db2.gz GRRJFSUEXRDWJC-KWCYVHTRSA-N 2 0 285.388 -0.362 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CCO1 ZINC000637868353 357380232 /nfs/dbraw/zinc/38/02/32/357380232.db2.gz XLBSAGWYDVQATQ-CHWSQXEVSA-N 2 0 299.415 -0.081 20 0 CBADRP COC[C@]1(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CCCC[NH2+]1 ZINC000637868665 357380319 /nfs/dbraw/zinc/38/03/19/357380319.db2.gz YQUVIEVZLUHPOT-DYEKYZERSA-N 2 0 285.388 -0.280 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000638575460 357496567 /nfs/dbraw/zinc/49/65/67/357496567.db2.gz FQZQIKNNRYYCKG-YPMHNXCESA-N 2 0 255.362 -0.272 20 0 CBADRP C[NH2+]CCOCCNC(=O)c1csc(CC[NH3+])n1 ZINC000638578362 357497311 /nfs/dbraw/zinc/49/73/11/357497311.db2.gz DZACRCOFNSYEPK-UHFFFAOYSA-N 2 0 272.374 -0.390 20 0 CBADRP C[NH2+]CCOCCNC(=O)COC1CCC([NH3+])CC1 ZINC000638578727 357497437 /nfs/dbraw/zinc/49/74/37/357497437.db2.gz IDNMDJLBZVVGMM-UHFFFAOYSA-N 2 0 273.377 -0.375 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000638579351 357497718 /nfs/dbraw/zinc/49/77/18/357497718.db2.gz OZGMYTKCZWELGJ-SLEUVZQESA-N 2 0 299.415 -0.129 20 0 CBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCOCC[NH2+]C)C1(C)C ZINC000638579080 357497878 /nfs/dbraw/zinc/49/78/78/357497878.db2.gz LZCMAWQLHGYSPL-BXUZGUMPSA-N 2 0 287.404 -0.129 20 0 CBADRP C[NH2+]CCOCCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000638579551 357498097 /nfs/dbraw/zinc/49/80/97/357498097.db2.gz RXHJXOJSARNFMS-SNVBAGLBSA-N 2 0 281.360 -0.548 20 0 CBADRP C[NH2+]CCOCCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000638585306 357498531 /nfs/dbraw/zinc/49/85/31/357498531.db2.gz XLNROVUQAFDCAZ-NSHDSACASA-N 2 0 259.350 -0.893 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638594192 357499441 /nfs/dbraw/zinc/49/94/41/357499441.db2.gz LMAOIOPTHRZXSP-AAEUAGOBSA-N 2 0 273.377 -0.552 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000638592935 357499525 /nfs/dbraw/zinc/49/95/25/357499525.db2.gz WEPZRKMEECPJNE-LLVKDONJSA-N 2 0 275.418 -0.224 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000638593539 357499553 /nfs/dbraw/zinc/49/95/53/357499553.db2.gz SPTUOTXBEOIYDK-ZDUSSCGKSA-N 2 0 273.377 -0.693 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638601568 357500013 /nfs/dbraw/zinc/50/00/13/357500013.db2.gz FOHPTVCNNNYVET-QWHCGFSZSA-N 2 0 297.399 -0.184 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000638613315 357505276 /nfs/dbraw/zinc/50/52/76/357505276.db2.gz HVSASXXHAFDSNJ-NQBHXWOUSA-N 2 0 253.346 -0.519 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000638624934 357512341 /nfs/dbraw/zinc/51/23/41/357512341.db2.gz ZPAKEBCIXPKBFE-UONOGXRCSA-N 2 0 275.352 -0.195 20 0 CBADRP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638616356 357507654 /nfs/dbraw/zinc/50/76/54/357507654.db2.gz LGXQGICTTKIJLT-MNOVXSKESA-N 2 0 255.362 -0.131 20 0 CBADRP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638616357 357507705 /nfs/dbraw/zinc/50/77/05/357507705.db2.gz LGXQGICTTKIJLT-QWRGUYRKSA-N 2 0 255.362 -0.131 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](CC[NH3+])C(F)F)C1 ZINC000638255853 357444708 /nfs/dbraw/zinc/44/47/08/357444708.db2.gz MWSRTGHUCXVSGQ-LAEOZQHASA-N 2 0 265.304 -0.148 20 0 CBADRP C[C@@]1(C(=O)N[C@@H](CC[NH3+])C(F)F)C[NH2+]CCO1 ZINC000638260259 357445254 /nfs/dbraw/zinc/44/52/54/357445254.db2.gz XKRRAVFBJMSEGH-XVKPBYJWSA-N 2 0 251.277 -0.536 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000638264891 357445944 /nfs/dbraw/zinc/44/59/44/357445944.db2.gz YSGMYOSIUWLZLT-RVMXOQNASA-N 2 0 267.373 -0.049 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638617324 357508750 /nfs/dbraw/zinc/50/87/50/357508750.db2.gz YOVLSVPDORFZFW-OHTBPHCPSA-N 2 0 297.399 -0.377 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638269268 357446761 /nfs/dbraw/zinc/44/67/61/357446761.db2.gz NMRIDXQBWDPXRI-NTZNESFSSA-N 2 0 255.362 -0.015 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)[C@@H]1OCC[C@@H]1[NH3+])C(F)(F)F ZINC000638268645 357446888 /nfs/dbraw/zinc/44/68/88/357446888.db2.gz RWTXAXVFWBAZMK-RRKCRQDMSA-N 2 0 255.240 -0.502 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000638269738 357447470 /nfs/dbraw/zinc/44/74/70/357447470.db2.gz UBWDRWRUQPLAJM-DCQANWLSSA-N 2 0 255.362 -0.003 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1COCC[NH2+]1 ZINC000638618805 357508828 /nfs/dbraw/zinc/50/88/28/357508828.db2.gz OTAQYMLWZFYDFD-UTUOFQBUSA-N 2 0 255.362 -0.036 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638275417 357447928 /nfs/dbraw/zinc/44/79/28/357447928.db2.gz RTMQJKJIWBPJBN-HNNXBMFYSA-N 2 0 299.415 -0.077 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638274378 357448536 /nfs/dbraw/zinc/44/85/36/357448536.db2.gz NQYCCMSRAQHNFX-ZFWWWQNUSA-N 2 0 299.415 -0.066 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1C[NH2+]CCC1(F)F ZINC000638617185 357508925 /nfs/dbraw/zinc/50/89/25/357508925.db2.gz XGNUCLBXDOSOKB-RKDXNWHRSA-N 2 0 263.288 -0.664 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CN1CC[NH2+]CC1 ZINC000638284450 357451911 /nfs/dbraw/zinc/45/19/11/357451911.db2.gz GVHVRICKZLAEKM-STQMWFEESA-N 2 0 268.405 -0.310 20 0 CBADRP CC(C)(O)C[NH+]1CCC([NH2+]CCOCCO)CC1 ZINC000638291977 357452996 /nfs/dbraw/zinc/45/29/96/357452996.db2.gz CZOWSBRWZDBXDF-UHFFFAOYSA-N 2 0 260.378 -0.180 20 0 CBADRP [NH3+][C@H]1CC=C(C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000638295103 357453320 /nfs/dbraw/zinc/45/33/20/357453320.db2.gz SUTAHBYYTJPRKR-LBPRGKRZSA-N 2 0 253.346 -0.128 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000638326533 357458696 /nfs/dbraw/zinc/45/86/96/357458696.db2.gz ZUVYOOYOFDRLRL-ABHRYQDASA-N 2 0 297.399 -0.315 20 0 CBADRP C[C@H]1CCN(C(=O)CN2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000638342214 357460383 /nfs/dbraw/zinc/46/03/83/357460383.db2.gz LRSCKRLDZSZKSP-NWDGAFQWSA-N 2 0 254.378 -0.665 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000638342466 357460789 /nfs/dbraw/zinc/46/07/89/357460789.db2.gz FZFGEJPHTPUFTG-ZDUSSCGKSA-N 2 0 299.415 -0.079 20 0 CBADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cnc(N)nc2N)CC1 ZINC000638349529 357461233 /nfs/dbraw/zinc/46/12/33/357461233.db2.gz PAFHOXWVRNKRSN-UHFFFAOYSA-N 2 0 293.419 -0.583 20 0 CBADRP [NH3+][C@H]1Cc2ccccc2N(C(=O)CN2CC[NH2+]CC2)C1 ZINC000638350384 357461453 /nfs/dbraw/zinc/46/14/53/357461453.db2.gz HPJLEGFWHOASNG-ZDUSSCGKSA-N 2 0 274.368 -0.192 20 0 CBADRP [NH3+][C@@H]1Cc2ccccc2N(C(=O)CN2CC[NH2+]CC2)C1 ZINC000638350383 357461526 /nfs/dbraw/zinc/46/15/26/357461526.db2.gz HPJLEGFWHOASNG-CYBMUJFWSA-N 2 0 274.368 -0.192 20 0 CBADRP C[NH+](C)CCN1CCC([NH2+]Cc2cnc(N)nc2N)CC1 ZINC000638357484 357462511 /nfs/dbraw/zinc/46/25/11/357462511.db2.gz WYNDEJWYLUTGAK-UHFFFAOYSA-N 2 0 293.419 -0.583 20 0 CBADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cnc(N)nc2N)CC1 ZINC000638363143 357462844 /nfs/dbraw/zinc/46/28/44/357462844.db2.gz JFLIDHPERANTSA-LLVKDONJSA-N 2 0 293.419 -0.583 20 0 CBADRP C[C@]1(C(=O)NCCC2CC[NH2+]CC2)C[NH2+]CCO1 ZINC000638394457 357467039 /nfs/dbraw/zinc/46/70/39/357467039.db2.gz VNXUGPDRIQOBET-CYBMUJFWSA-N 2 0 255.362 -0.129 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)CCC1C[NH2+]C1 ZINC000638410264 357470845 /nfs/dbraw/zinc/47/08/45/357470845.db2.gz XVAZYCAQDNNOCA-UHFFFAOYSA-N 2 0 270.421 -0.014 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000638417735 357472658 /nfs/dbraw/zinc/47/26/58/357472658.db2.gz JUDWOHAAQYPWFC-FYLGKEKYSA-N 2 0 253.346 -0.297 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000638424726 357474693 /nfs/dbraw/zinc/47/46/93/357474693.db2.gz IXURGVYGSWMGCR-NWDGAFQWSA-N 2 0 254.378 -0.510 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000638427762 357475501 /nfs/dbraw/zinc/47/55/01/357475501.db2.gz NAEKZOGGLVHUBI-JKFXUVRWSA-N 2 0 253.346 -0.378 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CCO1 ZINC000638432837 357475678 /nfs/dbraw/zinc/47/56/78/357475678.db2.gz NKMDRBJISUBNJA-FRRDWIJNSA-N 2 0 285.388 -0.328 20 0 CBADRP C[NH+](C)CCC[C@H]1CN(C(=O)[C@]2(C)C[NH2+]CCO2)CCO1 ZINC000638433426 357476327 /nfs/dbraw/zinc/47/63/27/357476327.db2.gz UABZYRFDTPFYNY-ZFWWWQNUSA-N 2 0 299.415 -0.066 20 0 CBADRP C[C@]1(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C[NH2+]CCO1 ZINC000638442242 357477499 /nfs/dbraw/zinc/47/74/99/357477499.db2.gz QNOJIECYNJWEFY-CYZMBNFOSA-N 2 0 253.346 -0.295 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000638484131 357482936 /nfs/dbraw/zinc/48/29/36/357482936.db2.gz OLSIWTPYJYPMDA-VXGBXAGGSA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@@H](C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[NH+](C)C ZINC000638480458 357483303 /nfs/dbraw/zinc/48/33/03/357483303.db2.gz PYVHVQWFRKIZDL-LBPRGKRZSA-N 2 0 297.403 -0.894 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)N1CCNCC1=O ZINC000638491172 357484170 /nfs/dbraw/zinc/48/41/70/357484170.db2.gz FXGJLTGWKNGGCA-NEPJUHHUSA-N 2 0 282.388 -0.737 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000638488337 357484346 /nfs/dbraw/zinc/48/43/46/357484346.db2.gz GGSLZFVTXSDZON-YPMHNXCESA-N 2 0 284.404 -0.458 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000638488627 357484495 /nfs/dbraw/zinc/48/44/95/357484495.db2.gz HZTYWQQWCBBDFN-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638504167 357490954 /nfs/dbraw/zinc/49/09/54/357490954.db2.gz DNWSGKZMEXRJQP-VXGBXAGGSA-N 2 0 294.399 -0.355 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638513562 357491760 /nfs/dbraw/zinc/49/17/60/357491760.db2.gz NEVBUUOMHPDQAL-LLVKDONJSA-N 2 0 252.362 -0.708 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@H]2CC[NH2+]C23CCC3)nn1 ZINC000638510384 357492086 /nfs/dbraw/zinc/49/20/86/357492086.db2.gz JKHMNYNRDDWKLU-NSHDSACASA-N 2 0 278.360 -0.359 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CC[C@H]1C(F)(F)F ZINC000638546158 357494159 /nfs/dbraw/zinc/49/41/59/357494159.db2.gz BOZOHZZVFIBBPB-BBBLOLIVSA-N 2 0 295.305 -0.040 20 0 CBADRP C[NH+]1CCC(C[NH2+]Cc2cnc(N)nc2N)CC1 ZINC000638566177 357494191 /nfs/dbraw/zinc/49/41/91/357494191.db2.gz CPAKIUXQQRWJKG-UHFFFAOYSA-N 2 0 250.350 -0.267 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000638540882 357494744 /nfs/dbraw/zinc/49/47/44/357494744.db2.gz BHMVINNFWPKONZ-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638643100 357514880 /nfs/dbraw/zinc/51/48/80/357514880.db2.gz KOWKUCCUDYPPNP-UMNHJUIQSA-N 2 0 270.377 -0.657 20 0 CBADRP COC[C@]1(C(=O)NCCOCCC[NH3+])CC[NH2+]C1 ZINC000638661866 357517638 /nfs/dbraw/zinc/51/76/38/357517638.db2.gz HFVLXKXUOMIVKE-LBPRGKRZSA-N 2 0 259.350 -0.906 20 0 CBADRP [NH3+]CCCOCCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000638662965 357518020 /nfs/dbraw/zinc/51/80/20/357518020.db2.gz HUFBOMYCDWUKFV-WCQYABFASA-N 2 0 255.362 -0.142 20 0 CBADRP COc1cccc(C[C@@H]([NH3+])C(=O)N(C)CCOCC[NH3+])c1 ZINC000638669417 357518075 /nfs/dbraw/zinc/51/80/75/357518075.db2.gz CAYATIQRNIBRPR-CQSZACIVSA-N 2 0 295.383 -0.001 20 0 CBADRP COC[C@@]1(C(=O)N(C)CCOCC[NH3+])CC[NH2+]C1 ZINC000638671993 357518217 /nfs/dbraw/zinc/51/82/17/357518217.db2.gz APHRDKOMARFDBO-GFCCVEGCSA-N 2 0 259.350 -0.954 20 0 CBADRP [NH3+]CCCOCCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000638663355 357518283 /nfs/dbraw/zinc/51/82/83/357518283.db2.gz MNMQKVAPGLXASJ-VIFPVBQESA-N 2 0 265.304 -0.287 20 0 CBADRP CN(CCOCC[NH3+])C(=O)C[C@H]1CSCC[NH2+]1 ZINC000638674505 357518853 /nfs/dbraw/zinc/51/88/53/357518853.db2.gz LLRLYIMGPOVJBH-JTQLQIEISA-N 2 0 261.391 -0.485 20 0 CBADRP COC[C@]1(C(=O)N(C)CCOCC[NH3+])CCCC[NH2+]1 ZINC000638674665 357518903 /nfs/dbraw/zinc/51/89/03/357518903.db2.gz XRQJOGCWGCYAEF-ZDUSSCGKSA-N 2 0 273.377 -0.421 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000638673989 357519102 /nfs/dbraw/zinc/51/91/02/357519102.db2.gz CBKIKMNXHZFHOL-NSHDSACASA-N 2 0 255.362 -0.190 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000638673773 357519188 /nfs/dbraw/zinc/51/91/88/357519188.db2.gz ZIQLRRLRHORQPW-WCQYABFASA-N 2 0 255.362 -0.190 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638672988 357519217 /nfs/dbraw/zinc/51/92/17/357519217.db2.gz GUQVVZLAKAWFDC-LBPRGKRZSA-N 2 0 259.350 -0.824 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000638765849 357527557 /nfs/dbraw/zinc/52/75/57/357527557.db2.gz PZVXDIMLTBGJDS-HBNTYKKESA-N 2 0 278.360 -0.317 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638780968 357528230 /nfs/dbraw/zinc/52/82/30/357528230.db2.gz YBGHHEBFHFZYDA-AWEZNQCLSA-N 2 0 299.415 -0.161 20 0 CBADRP C[NH2+]CC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638780983 357528234 /nfs/dbraw/zinc/52/82/34/357528234.db2.gz YPZDNBCCLQOGRF-LBPRGKRZSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000638773749 357528304 /nfs/dbraw/zinc/52/83/04/357528304.db2.gz OZTFCMZZBIRGMW-ATZCPNFKSA-N 2 0 263.345 -0.033 20 0 CBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H]2CC[NH2+]C2)C1(C)C ZINC000638801803 357532360 /nfs/dbraw/zinc/53/23/60/357532360.db2.gz LPCZAFWPOFAKNT-BREBYQMCSA-N 2 0 255.362 -0.003 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000638806190 357532832 /nfs/dbraw/zinc/53/28/32/357532832.db2.gz PQDMFLRRGKUBAA-JTQLQIEISA-N 2 0 265.313 -0.156 20 0 CBADRP [NH3+]Cc1ccc2c(c1)N(C(=O)[C@@H]1C[NH2+]CCO1)CCO2 ZINC000638803574 357533178 /nfs/dbraw/zinc/53/31/78/357533178.db2.gz NWUBMGFLEJULMI-ZDUSSCGKSA-N 2 0 277.324 -0.141 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638814694 357533376 /nfs/dbraw/zinc/53/33/76/357533376.db2.gz AKYMSNGLEFVKLE-NEPJUHHUSA-N 2 0 256.394 -0.005 20 0 CBADRP [NH3+][C@H]1CCCCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000638820058 357534052 /nfs/dbraw/zinc/53/40/52/357534052.db2.gz PMBJCNSJAHIPJH-RYUDHWBXSA-N 2 0 282.388 -0.416 20 0 CBADRP [NH3+][C@@H]1CCCCCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000638819999 357534430 /nfs/dbraw/zinc/53/44/30/357534430.db2.gz OLQDSOVHSGYZFW-CHWSQXEVSA-N 2 0 296.415 -0.025 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NCc1cccc2c1CC[NH2+]C2 ZINC000638846580 357536475 /nfs/dbraw/zinc/53/64/75/357536475.db2.gz CTAPDDOATYITMA-UHFFFAOYSA-N 2 0 288.395 -0.146 20 0 CBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3CCC[NH2+]3)CC2)C1=O ZINC000638857139 357538621 /nfs/dbraw/zinc/53/86/21/357538621.db2.gz ZIMBAPZKBPTRSM-QWHCGFSZSA-N 2 0 294.399 -0.450 20 0 CBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)C(C)(C)C[NH3+])CC2)C1=O ZINC000638855588 357538868 /nfs/dbraw/zinc/53/88/68/357538868.db2.gz FJEIFZJOBXEFCK-LBPRGKRZSA-N 2 0 296.415 -0.217 20 0 CBADRP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@H]1C[NH+]2CCC1CC2 ZINC000638853496 357539309 /nfs/dbraw/zinc/53/93/09/357539309.db2.gz HPGCYWFKLNODHV-OLZOCXBDSA-N 2 0 294.399 -0.593 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000638855575 357539313 /nfs/dbraw/zinc/53/93/13/357539313.db2.gz FDQONSMEZRQKBW-OLZOCXBDSA-N 2 0 296.415 -0.204 20 0 CBADRP COCCC1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[NH2+]CC1 ZINC000638914526 357542834 /nfs/dbraw/zinc/54/28/34/357542834.db2.gz FPDGXHUPOGAHHV-RYUDHWBXSA-N 2 0 267.373 -0.035 20 0 CBADRP COC[C@@]1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCCC[NH2+]1 ZINC000638919091 357544212 /nfs/dbraw/zinc/54/42/12/357544212.db2.gz XXGITWDNAHEMPU-GMXVVIOVSA-N 2 0 253.346 -0.282 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000638925808 357544314 /nfs/dbraw/zinc/54/43/14/357544314.db2.gz ASWPBFVUSHSNLN-XZUYRWCXSA-N 2 0 253.346 -0.284 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cn1 ZINC000638918765 357544537 /nfs/dbraw/zinc/54/45/37/357544537.db2.gz TWALPQWPYFQNIN-RYUDHWBXSA-N 2 0 263.345 -0.369 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000638967246 357547435 /nfs/dbraw/zinc/54/74/35/357547435.db2.gz LHJZDXUQEQJBPB-SRVKXCTJSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]CC1(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000638996257 357549843 /nfs/dbraw/zinc/54/98/43/357549843.db2.gz DXPZQEGZBPYBHM-NSHDSACASA-N 2 0 282.388 -0.368 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639028242 357555406 /nfs/dbraw/zinc/55/54/06/357555406.db2.gz XQOGDUZFFDFUPO-YNEHKIRRSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1C[C@@H](OC)C[C@]1(C)CO ZINC000639999911 357626282 /nfs/dbraw/zinc/62/62/82/357626282.db2.gz BBACDSPFTKYJIR-RWMBFGLXSA-N 2 0 260.378 -0.229 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCCN(C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000639768869 357596944 /nfs/dbraw/zinc/59/69/44/357596944.db2.gz UVMNAYGDTMTAGC-GJZGRUSLSA-N 2 0 285.432 -0.170 20 0 CBADRP Cn1cncc1CC[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639943473 357619300 /nfs/dbraw/zinc/61/93/00/357619300.db2.gz ZIMIRWUNOGKZDY-OKILXGFUSA-N 2 0 276.340 -0.053 20 0 CBADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000639945036 357619808 /nfs/dbraw/zinc/61/98/08/357619808.db2.gz RCBIGWLBHMXWLZ-NILFDRSVSA-N 2 0 297.399 -0.328 20 0 CBADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639945035 357619923 /nfs/dbraw/zinc/61/99/23/357619923.db2.gz RCBIGWLBHMXWLZ-DFBGVHRSSA-N 2 0 297.399 -0.328 20 0 CBADRP C[C@H](C[NH+]1C[C@H]2C[C@@]2(O)C1)C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640478485 357655559 /nfs/dbraw/zinc/65/55/59/357655559.db2.gz BHYKKTUEBKVYHO-KLLCGCCRSA-N 2 0 252.358 -0.244 20 0 CBADRP COCC[C@H]([NH3+])Cc1cn(C[C@H](O)C[N@H+](C)C(C)C)nn1 ZINC000641220752 357681384 /nfs/dbraw/zinc/68/13/84/357681384.db2.gz FHWHPEVMPQJNQF-GXTWGEPZSA-N 2 0 299.419 -0.115 20 0 CBADRP CC[N@H+](C)C[C@H](O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641223483 357683038 /nfs/dbraw/zinc/68/30/38/357683038.db2.gz RCVJVSMPTXDLGW-AAEUAGOBSA-N 2 0 267.377 -0.257 20 0 CBADRP CC[N@H+](C)C[C@H](O)Cn1cc(CC[NH+](C)C)nn1 ZINC000641222716 357683169 /nfs/dbraw/zinc/68/31/69/357683169.db2.gz NOGPZWFELYPRKE-LBPRGKRZSA-N 2 0 255.366 -0.305 20 0 CBADRP NS(=O)(=O)CCC[N@@H+]1C[C@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000641798641 357742328 /nfs/dbraw/zinc/74/23/28/357742328.db2.gz PAMNNRPTOWNENK-GMTAPVOTSA-N 2 0 261.391 -0.276 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000641995206 357749187 /nfs/dbraw/zinc/74/91/87/357749187.db2.gz BYEUEOIMWGMYDC-HZSPNIEDSA-N 2 0 295.431 -0.232 20 0 CBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000642431139 357754575 /nfs/dbraw/zinc/75/45/75/357754575.db2.gz FHPUDYXIRMLGBY-GFCCVEGCSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[NH3+] ZINC000642439493 357755182 /nfs/dbraw/zinc/75/51/82/357755182.db2.gz JHMIPPFBRWMXND-LLVKDONJSA-N 2 0 270.377 -0.558 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000642439454 357755317 /nfs/dbraw/zinc/75/53/17/357755317.db2.gz HOCCTWKMOSLWRV-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000642439550 357755351 /nfs/dbraw/zinc/75/53/51/357755351.db2.gz LUBAMSWMQQRQQF-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000642439560 357755677 /nfs/dbraw/zinc/75/56/77/357755677.db2.gz MCKAZWPGZUHHQP-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC[NH2+]1 ZINC000642537960 357756351 /nfs/dbraw/zinc/75/63/51/357756351.db2.gz LIBRHMMHKQJBKY-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000642535620 357756584 /nfs/dbraw/zinc/75/65/84/357756584.db2.gz RFGQSBAXFLMRPT-VXGBXAGGSA-N 2 0 294.399 -0.402 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642712987 357759024 /nfs/dbraw/zinc/75/90/24/357759024.db2.gz ANBXBVUMVMFZQF-SNVBAGLBSA-N 2 0 258.366 -0.702 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000642733284 357760266 /nfs/dbraw/zinc/76/02/66/357760266.db2.gz CJDUIBKVRISUSF-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCC[NH2+]CC1 ZINC000642785791 357762789 /nfs/dbraw/zinc/76/27/89/357762789.db2.gz KVPJYMSWAOJTQN-CYBMUJFWSA-N 2 0 294.399 -0.591 20 0 CBADRP C[C@H](CCNC(=O)C(=O)NC[C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000642798348 357763933 /nfs/dbraw/zinc/76/39/33/357763933.db2.gz IJCSKWFVIFCIIP-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642902392 357765736 /nfs/dbraw/zinc/76/57/36/357765736.db2.gz RJRSDQCCMNBHMZ-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000642909330 357767636 /nfs/dbraw/zinc/76/76/36/357767636.db2.gz KTRWIBOKFGAIFZ-SDDRHHMPSA-N 2 0 284.404 -0.171 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000642911761 357768399 /nfs/dbraw/zinc/76/83/99/357768399.db2.gz XINFQMNWGNTIMH-UTUOFQBUSA-N 2 0 282.388 -0.417 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000642911762 357768458 /nfs/dbraw/zinc/76/84/58/357768458.db2.gz XINFQMNWGNTIMH-WOPDTQHZSA-N 2 0 282.388 -0.417 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000642917408 357769267 /nfs/dbraw/zinc/76/92/67/357769267.db2.gz GIKDPCUZNLZJRH-UHFFFAOYSA-N 2 0 272.393 -0.488 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000642917421 357769271 /nfs/dbraw/zinc/76/92/71/357769271.db2.gz ILYPFOHIIIKVME-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC[NH2+]C3CC3)[C@@H]2C1 ZINC000642919383 357770222 /nfs/dbraw/zinc/77/02/22/357770222.db2.gz YQVHLXGCAPKKDN-WCQYABFASA-N 2 0 294.399 -0.593 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919807 357770309 /nfs/dbraw/zinc/77/03/09/357770309.db2.gz HPJZFMOFWOVUMH-UHFFFAOYSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000642930463 357771055 /nfs/dbraw/zinc/77/10/55/357771055.db2.gz ZRRLILGUCQLFAS-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000642929589 357771444 /nfs/dbraw/zinc/77/14/44/357771444.db2.gz FNZHQCKUNFKRCK-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000642947279 357772190 /nfs/dbraw/zinc/77/21/90/357772190.db2.gz HALCQUIAGJLEMU-WDEREUQCSA-N 2 0 270.377 -0.704 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000642965596 357773272 /nfs/dbraw/zinc/77/32/72/357773272.db2.gz RPEWIUBULDVRMJ-LLVKDONJSA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000642978828 357773961 /nfs/dbraw/zinc/77/39/61/357773961.db2.gz UUZBQRMRQKAKFW-GFCCVEGCSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000642985815 357775003 /nfs/dbraw/zinc/77/50/03/357775003.db2.gz ANOFOHPFEWGLGM-WOPDTQHZSA-N 2 0 282.388 -0.689 20 0 CBADRP CN1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000643472254 357784249 /nfs/dbraw/zinc/78/42/49/357784249.db2.gz MQNMNNDQBHVUIL-CHWSQXEVSA-N 2 0 268.405 -0.133 20 0 CBADRP CN1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000643472256 357784427 /nfs/dbraw/zinc/78/44/27/357784427.db2.gz MQNMNNDQBHVUIL-QWHCGFSZSA-N 2 0 268.405 -0.133 20 0 CBADRP C[N@@H+]1CC[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)[C@@H]2CCC[C@@H]21 ZINC000643500301 357785814 /nfs/dbraw/zinc/78/58/14/357785814.db2.gz ABLSHPYCSJADGW-IHRRRGAJSA-N 3 0 280.416 -0.119 20 0 CBADRP CO[C@@H]1CCC[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C1 ZINC000643500512 357786080 /nfs/dbraw/zinc/78/60/80/357786080.db2.gz WPKSFLOBWXCBNO-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000643509414 357786736 /nfs/dbraw/zinc/78/67/36/357786736.db2.gz SBZCODXELJBHAV-FRRDWIJNSA-N 2 0 294.399 -0.498 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000643574501 357788853 /nfs/dbraw/zinc/78/88/53/357788853.db2.gz NOFHHTCLKFPUOS-OLZOCXBDSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000643553659 357789030 /nfs/dbraw/zinc/78/90/30/357789030.db2.gz LEJVPVHOQZMRCS-STQMWFEESA-N 2 0 296.415 -0.204 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000423329636 291151369 /nfs/dbraw/zinc/15/13/69/291151369.db2.gz TUNAMQRWOZZATA-QWRGUYRKSA-N 2 0 273.377 -0.031 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000516572713 291151610 /nfs/dbraw/zinc/15/16/10/291151610.db2.gz KIQHMVMVXDZPGB-VWYCJHECSA-N 2 0 271.361 -0.182 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000422541119 291151291 /nfs/dbraw/zinc/15/12/91/291151291.db2.gz NSLKAQIDJBLOJD-UWVGGRQHSA-N 2 0 271.361 -0.229 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419414612 283385239 /nfs/dbraw/zinc/38/52/39/283385239.db2.gz TZSGOHJVYGBSSH-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP CCC[NH2+]CCNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000418488422 283387435 /nfs/dbraw/zinc/38/74/35/283387435.db2.gz LHLZKGIFTOMROL-CYBMUJFWSA-N 2 0 283.420 -0.325 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000419166202 283528320 /nfs/dbraw/zinc/52/83/20/283528320.db2.gz HFNNAVQGYURNFS-GFCCVEGCSA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH+](C)CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341850750 216124876 /nfs/dbraw/zinc/12/48/76/216124876.db2.gz WKXCDNDMAHMJPW-LLVKDONJSA-N 2 0 270.377 -0.748 20 0 CBADRP CNC(=O)C[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000341894552 216142311 /nfs/dbraw/zinc/14/23/11/216142311.db2.gz GEQUUGBTBDQDBN-RYUDHWBXSA-N 2 0 256.394 -0.264 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000423592510 283549444 /nfs/dbraw/zinc/54/94/44/283549444.db2.gz KVUKGFCJTCTIDD-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H]([NH3+])CC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000430772972 296016641 /nfs/dbraw/zinc/01/66/41/296016641.db2.gz PGCWFXKQHBNBOW-LLVKDONJSA-N 2 0 256.394 -0.134 20 0 CBADRP O=C([C@@H]1CCC[NH2+]C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377567461 296019781 /nfs/dbraw/zinc/01/97/81/296019781.db2.gz ZLUFDDSPBNIVJU-CHWSQXEVSA-N 2 0 266.389 -0.508 20 0 CBADRP Cn1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(=O)n(C)c1=O ZINC000179276091 189183059 /nfs/dbraw/zinc/18/30/59/189183059.db2.gz CIUPZJBGBFBNSD-LBPRGKRZSA-N 2 0 294.399 -0.142 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529388445 283612527 /nfs/dbraw/zinc/61/25/27/283612527.db2.gz ONRQIWNAHBNNNQ-RYUDHWBXSA-N 2 0 270.377 -0.242 20 0 CBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529388452 283612760 /nfs/dbraw/zinc/61/27/60/283612760.db2.gz OQPDEGUJEUCEAS-MXWKQRLJSA-N 2 0 256.350 -0.647 20 0 CBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529388455 283612830 /nfs/dbraw/zinc/61/28/30/283612830.db2.gz OQPDEGUJEUCEAS-VWYCJHECSA-N 2 0 256.350 -0.647 20 0 CBADRP C[C@H]1[C@@H](NC(=O)C(=O)NCC2([NH3+])CCC2)CCC[N@@H+]1C ZINC000419563354 291284726 /nfs/dbraw/zinc/28/47/26/291284726.db2.gz WHKHSROFXYBJGC-QWRGUYRKSA-N 2 0 282.388 -0.417 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000343609538 296055290 /nfs/dbraw/zinc/05/52/90/296055290.db2.gz WPRIWMQTYSZSCR-AAEUAGOBSA-N 2 0 253.346 -0.423 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000376200182 296055192 /nfs/dbraw/zinc/05/51/92/296055192.db2.gz TXNIKMKAUGDAIN-UPJWGTAASA-N 2 0 267.373 -0.035 20 0 CBADRP COCc1nc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)no1 ZINC000548151235 283813719 /nfs/dbraw/zinc/81/37/19/283813719.db2.gz IJTBPFDILKKIKW-UHFFFAOYSA-N 2 0 299.375 -0.219 20 0 CBADRP C[C@]1(CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[NH2+]C1 ZINC000514949309 291380609 /nfs/dbraw/zinc/38/06/09/291380609.db2.gz DKQTYRGGPKOFKQ-WZRBSPASSA-N 2 0 252.362 -0.770 20 0 CBADRP COC(=O)[C@H]1CN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC[N@H+](C)C1 ZINC000413891933 284113570 /nfs/dbraw/zinc/11/35/70/284113570.db2.gz HOIWEYHDBVUOGL-UPJWGTAASA-N 2 0 297.399 -0.253 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000358889058 296137162 /nfs/dbraw/zinc/13/71/62/296137162.db2.gz SMGIUPMGOGCFMC-GFCCVEGCSA-N 2 0 267.373 -0.033 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000353401073 296137348 /nfs/dbraw/zinc/13/73/48/296137348.db2.gz PEZOSKTXADBTGT-CHWSQXEVSA-N 2 0 267.373 -0.177 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000364564270 296137708 /nfs/dbraw/zinc/13/77/08/296137708.db2.gz TXNIKMKAUGDAIN-RWMBFGLXSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@@H]1[NH3+] ZINC000331681930 204070792 /nfs/dbraw/zinc/07/07/92/204070792.db2.gz UBJKOEFZJPXYJL-XQHKEYJVSA-N 2 0 294.399 -0.465 20 0 CBADRP C[C@@H](O)C(=O)N1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414705413 296167750 /nfs/dbraw/zinc/16/77/50/296167750.db2.gz LOOHFWGXKNZPSL-UPJWGTAASA-N 2 0 269.389 -0.101 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000331725599 204102148 /nfs/dbraw/zinc/10/21/48/204102148.db2.gz XBHPEQHQRJACIV-FRRDWIJNSA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000331882497 204260070 /nfs/dbraw/zinc/26/00/70/204260070.db2.gz NYSYRJNFEONUFR-NSHDSACASA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH2+]CC(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000237239617 189870046 /nfs/dbraw/zinc/87/00/46/189870046.db2.gz ZQBKSRUKEKOMPI-UHFFFAOYSA-N 2 0 292.383 -0.186 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC[C@H]2CC[N@H+](C)C2)CC1 ZINC000344044049 217026231 /nfs/dbraw/zinc/02/62/31/217026231.db2.gz RPOREIQTFIYIOZ-CYBMUJFWSA-N 2 0 268.405 -0.308 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2CC[N@H+](C)C2)CC1=O ZINC000344048780 217028230 /nfs/dbraw/zinc/02/82/30/217028230.db2.gz NWGZVYKFYGBKJW-CHWSQXEVSA-N 2 0 296.415 -0.536 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000333132208 205056780 /nfs/dbraw/zinc/05/67/80/205056780.db2.gz BWKQDYMDSGSMQF-TZMCWYRMSA-N 2 0 295.431 -0.327 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000353432986 220081132 /nfs/dbraw/zinc/08/11/32/220081132.db2.gz SRQAJFZNAHACQM-GXSJLCMTSA-N 2 0 261.391 -0.486 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000353436389 220081457 /nfs/dbraw/zinc/08/14/57/220081457.db2.gz BEZUUWXNSPDSON-DGCLKSJQSA-N 2 0 285.388 -0.328 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000353438073 220082310 /nfs/dbraw/zinc/08/23/10/220082310.db2.gz YUWDBRWFLIQKQI-XQQFMLRXSA-N 2 0 287.404 -0.034 20 0 CBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H](C[NH3+])OC)C1 ZINC000353449621 220089251 /nfs/dbraw/zinc/08/92/51/220089251.db2.gz NVXPTIPMXBBLLD-STQMWFEESA-N 2 0 287.404 -0.081 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261569825 372907108 /nfs/dbraw/zinc/90/71/08/372907108.db2.gz KBJXHSDUPMOAAL-LPEHRKFASA-N 2 0 254.334 -0.486 20 0 CBADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CNC(=O)C[NH3+] ZINC000262397717 372908976 /nfs/dbraw/zinc/90/89/76/372908976.db2.gz NESBWSKSGFQJIV-UTUOFQBUSA-N 2 0 284.404 -0.456 20 0 CBADRP CCN(CC)C(=O)CN1CCCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000262508443 372910793 /nfs/dbraw/zinc/91/07/93/372910793.db2.gz JIUZZEGXCLEOPY-ZDUSSCGKSA-N 2 0 298.431 -0.016 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000333399268 205288672 /nfs/dbraw/zinc/28/86/72/205288672.db2.gz PSXLHODEYUNWFB-VXGBXAGGSA-N 2 0 270.377 -0.242 20 0 CBADRP CC(C)[N@H+](C)C[C@H](O)Cn1cc(CN(C)CCC[NH3+])nn1 ZINC000328184066 372972760 /nfs/dbraw/zinc/97/27/60/372972760.db2.gz ODFMTDGOMOXVPC-AWEZNQCLSA-N 2 0 298.435 -0.240 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000331958998 372999213 /nfs/dbraw/zinc/99/92/13/372999213.db2.gz SAMCMVJDWHSBIW-QWHCGFSZSA-N 2 0 292.383 -0.721 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H](C)[NH2+]1 ZINC000332600823 373006475 /nfs/dbraw/zinc/00/64/75/373006475.db2.gz CWUCYMRHMJKYGK-JHJVBQTASA-N 2 0 294.399 -0.498 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C[N@@H+]1C1CC1 ZINC000333365564 373009455 /nfs/dbraw/zinc/00/94/55/373009455.db2.gz LSWWUOQHRWOJFD-NWDGAFQWSA-N 2 0 294.399 -0.005 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)C[C@@H]1C ZINC000333841918 373012491 /nfs/dbraw/zinc/01/24/91/373012491.db2.gz OJUBEIFWJLBTFA-AVGNSLFASA-N 2 0 284.404 -0.165 20 0 CBADRP CN(C(=O)NC[C@@H]1CCC[N@@H+]1C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333947677 373012616 /nfs/dbraw/zinc/01/26/16/373012616.db2.gz VTBUKQHCOAKDML-DCAQKATOSA-N 2 0 256.350 -0.945 20 0 CBADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+]C2)C[C@H](C)[N@H+]1CCO ZINC000333728307 373013654 /nfs/dbraw/zinc/01/36/54/373013654.db2.gz VRYQTERXGVVASA-FRRDWIJNSA-N 2 0 284.404 -0.165 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000333803418 373014155 /nfs/dbraw/zinc/01/41/55/373014155.db2.gz IFDUKSUSIGCELK-NWDGAFQWSA-N 2 0 282.388 -0.112 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333933179 373014490 /nfs/dbraw/zinc/01/44/90/373014490.db2.gz HLMQVDRPMIDCTD-ZIAGYGMSSA-N 2 0 295.431 -0.230 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343310228 373049414 /nfs/dbraw/zinc/04/94/14/373049414.db2.gz MXKUVCCCJCMOBG-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000353538626 220144099 /nfs/dbraw/zinc/14/40/99/220144099.db2.gz XTSHZHQMVJFYTA-FRRDWIJNSA-N 2 0 296.415 -0.170 20 0 CBADRP CN1CCO[C@H](CNC(=O)N2CCNC[C@](C)(F)C2)C1 ZINC000333518328 205396568 /nfs/dbraw/zinc/39/65/68/205396568.db2.gz GJBSHGYOGWRDFV-YPMHNXCESA-N 2 0 288.367 -0.340 20 0 CBADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000351851296 373099117 /nfs/dbraw/zinc/09/91/17/373099117.db2.gz LHZJBARXDWJEAM-MBNYWOFBSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000347187521 373071661 /nfs/dbraw/zinc/07/16/61/373071661.db2.gz CDXJGFKPWGCDRM-GHMZBOCLSA-N 2 0 280.372 -0.357 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)CCC[N@@H+]1C ZINC000347799532 373073191 /nfs/dbraw/zinc/07/31/91/373073191.db2.gz ZMQZNFKKIQWYMJ-UPJWGTAASA-N 2 0 296.415 -0.252 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000353585586 220173298 /nfs/dbraw/zinc/17/32/98/220173298.db2.gz ATVLGOJNTHFBJN-MNOVXSKESA-N 2 0 270.377 -0.574 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000362388239 373398717 /nfs/dbraw/zinc/39/87/17/373398717.db2.gz FVBXYCUYRCTSFR-KGLIPLIRSA-N 2 0 282.432 -0.110 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000362388238 373400179 /nfs/dbraw/zinc/40/01/79/373400179.db2.gz FVBXYCUYRCTSFR-KBPBESRZSA-N 2 0 282.432 -0.110 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000362883393 373458872 /nfs/dbraw/zinc/45/88/72/373458872.db2.gz QZLZFOMUPXAISL-VOAKCMCISA-N 2 0 267.373 -0.275 20 0 CBADRP [NH3+][C@@H]1CCC[C@]12CCN(C(=O)[C@H]1C[NH2+]CCO1)C2 ZINC000365106535 373522868 /nfs/dbraw/zinc/52/28/68/373522868.db2.gz VKTIICYFAOUGOL-NQBHXWOUSA-N 2 0 253.346 -0.295 20 0 CBADRP O=C([C@H]1CCCC[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000375956879 373569002 /nfs/dbraw/zinc/56/90/02/373569002.db2.gz FPCGZUKAZXAUSP-CHWSQXEVSA-N 2 0 266.389 -0.365 20 0 CBADRP [NH3+]CC(=O)NCC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000375981501 373569066 /nfs/dbraw/zinc/56/90/66/373569066.db2.gz WNXXXMXFAIFBSE-LBPRGKRZSA-N 2 0 276.340 -0.936 20 0 CBADRP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC[N@H+](C)C1 ZINC000413891935 373622454 /nfs/dbraw/zinc/62/24/54/373622454.db2.gz HOIWEYHDBVUOGL-YNEHKIRRSA-N 2 0 297.399 -0.253 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417441395 373627711 /nfs/dbraw/zinc/62/77/11/373627711.db2.gz PXIBOXLCSOWGMD-SECBINFHSA-N 2 0 282.335 -0.154 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417277074 373628113 /nfs/dbraw/zinc/62/81/13/373628113.db2.gz GECGQSVVEFFAAL-GRYCIOLGSA-N 2 0 252.362 -0.059 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417439997 373628200 /nfs/dbraw/zinc/62/82/00/373628200.db2.gz NHENESGDAQYCGW-QWHCGFSZSA-N 2 0 284.404 -0.042 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000417442170 373628460 /nfs/dbraw/zinc/62/84/60/373628460.db2.gz SPKYERWKECOAFD-NEPJUHHUSA-N 2 0 272.393 -0.138 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000417448050 373628969 /nfs/dbraw/zinc/62/89/69/373628969.db2.gz SRYCLNCTKPQHTF-NEPJUHHUSA-N 2 0 272.393 -0.044 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000417095904 373629031 /nfs/dbraw/zinc/62/90/31/373629031.db2.gz UYLUQMRRBMWKID-NSHDSACASA-N 2 0 258.366 -0.384 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417443367 373629926 /nfs/dbraw/zinc/62/99/26/373629926.db2.gz YBFZQYFTHCHRDF-UHFFFAOYSA-N 2 0 272.393 -0.042 20 0 CBADRP C[C@@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[C@H](C)[NH3+] ZINC000418708949 373633199 /nfs/dbraw/zinc/63/31/99/373633199.db2.gz UOJLMFFCZNIFSH-WHOHXGKFSA-N 2 0 272.393 -0.181 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000418699116 373633504 /nfs/dbraw/zinc/63/35/04/373633504.db2.gz NSWWBSQLXWVKON-SDDRHHMPSA-N 2 0 272.393 -0.132 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000418763171 373634920 /nfs/dbraw/zinc/63/49/20/373634920.db2.gz MPTLSZSYGWFNAN-CYBMUJFWSA-N 2 0 292.387 -0.882 20 0 CBADRP C[C@H]1CCC[C@](CNC(=O)C(=O)NCC[NH3+])([NH+](C)C)C1 ZINC000418925705 373635060 /nfs/dbraw/zinc/63/50/60/373635060.db2.gz RKAGBDKPWXICBF-FZMZJTMJSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419111655 373635703 /nfs/dbraw/zinc/63/57/03/373635703.db2.gz UGYDVRXLCSHCMT-YPMHNXCESA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419431707 373638384 /nfs/dbraw/zinc/63/83/84/373638384.db2.gz XRQHWJFYUAHUSQ-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000419520683 373639310 /nfs/dbraw/zinc/63/93/10/373639310.db2.gz IORKLVWZRAQKOW-CYBMUJFWSA-N 2 0 296.415 -0.073 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000574451356 335020627 /nfs/dbraw/zinc/02/06/27/335020627.db2.gz IYKIIUINTGIOCU-UWVGGRQHSA-N 2 0 257.334 -0.536 20 0 CBADRP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(C[NH3+])CC2)CC1 ZINC000430606015 373673377 /nfs/dbraw/zinc/67/33/77/373673377.db2.gz VFOJJPYTRUVFRK-GFCCVEGCSA-N 2 0 296.415 -0.264 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@@H]1C[NH2+]CCN1C)[NH+](C)C ZINC000449695611 373687630 /nfs/dbraw/zinc/68/76/30/373687630.db2.gz IVKURAKWQIJRFM-RYUDHWBXSA-N 2 0 256.394 -0.408 20 0 CBADRP C[C@H]([NH3+])CN1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000515060622 373774376 /nfs/dbraw/zinc/77/43/76/373774376.db2.gz VZHTXNHXOSTHNZ-NWDGAFQWSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@H]([NH3+])CN1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000515060623 373774900 /nfs/dbraw/zinc/77/49/00/373774900.db2.gz VZHTXNHXOSTHNZ-RYUDHWBXSA-N 2 0 254.378 -0.523 20 0 CBADRP [NH3+][C@H]1C[C@@H]2CN(CCOCC(F)(F)F)CCN2C1=O ZINC000515071601 373777141 /nfs/dbraw/zinc/77/71/41/373777141.db2.gz BBSCOHBDIZVHLJ-BDAKNGLRSA-N 2 0 281.278 -0.191 20 0 CBADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)NC2C[NH2+]C2)cc1 ZINC000514722348 373761630 /nfs/dbraw/zinc/76/16/30/373761630.db2.gz GAUIMJYLYOXTIG-UHFFFAOYSA-N 2 0 290.367 -0.548 20 0 CBADRP C[C@H](NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)C(=O)N(C)C ZINC000514727310 373762968 /nfs/dbraw/zinc/76/29/68/373762968.db2.gz SONHZIHYCUEVKT-RWMBFGLXSA-N 2 0 296.415 -0.489 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000514859673 373767538 /nfs/dbraw/zinc/76/75/38/373767538.db2.gz FIEDMPCGDKYNKC-LBPRGKRZSA-N 2 0 285.388 -0.408 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000516183310 373804348 /nfs/dbraw/zinc/80/43/48/373804348.db2.gz PFMUPRZVFCHYGJ-QJPTWQEYSA-N 2 0 280.372 -0.935 20 0 CBADRP C[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)C[NH+]1CCCC1 ZINC000516429128 373812208 /nfs/dbraw/zinc/81/22/08/373812208.db2.gz BXUNIBGUTSVSEX-UONOGXRCSA-N 2 0 297.447 -0.079 20 0 CBADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000516555207 373815536 /nfs/dbraw/zinc/81/55/36/373815536.db2.gz JPJYAOLKUDCEHO-CYBMUJFWSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000519771268 373823664 /nfs/dbraw/zinc/82/36/64/373823664.db2.gz QPPNKEBWVFSVRR-AVGNSLFASA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000520226253 373830729 /nfs/dbraw/zinc/83/07/29/373830729.db2.gz FGMPSEUVZQOQEX-QWRGUYRKSA-N 2 0 272.393 -0.132 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000520228222 373830826 /nfs/dbraw/zinc/83/08/26/373830826.db2.gz AEUBHBZUDAJNCN-VWYCJHECSA-N 2 0 255.387 -0.098 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000520579316 373832326 /nfs/dbraw/zinc/83/23/26/373832326.db2.gz LVSCDAMWYANZCC-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000520810291 373835428 /nfs/dbraw/zinc/83/54/28/373835428.db2.gz LKRGLEFMAAWFAO-UTLUCORTSA-N 2 0 257.334 -0.619 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000520841103 373836489 /nfs/dbraw/zinc/83/64/89/373836489.db2.gz DWBLAENATHWXES-UKKRHICBSA-N 2 0 283.376 -0.934 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000515350544 373783665 /nfs/dbraw/zinc/78/36/65/373783665.db2.gz WYRRMPDFGBWSLM-CQSZACIVSA-N 2 0 299.415 -0.064 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000515350543 373783725 /nfs/dbraw/zinc/78/37/25/373783725.db2.gz WYRRMPDFGBWSLM-AWEZNQCLSA-N 2 0 299.415 -0.064 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000515380720 373786744 /nfs/dbraw/zinc/78/67/44/373786744.db2.gz FOHUDEQIDIRALM-CMPLNLGQSA-N 2 0 292.387 -0.161 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000515648362 373793860 /nfs/dbraw/zinc/79/38/60/373793860.db2.gz SOPLTRCNNULVPZ-NXEZZACHSA-N 2 0 266.349 -0.503 20 0 CBADRP C[C@H]1CN(CC[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CCO1 ZINC000515846084 373797626 /nfs/dbraw/zinc/79/76/26/373797626.db2.gz CDQFDVVYCQRZID-KBPBESRZSA-N 2 0 298.431 -0.506 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000516025443 373800592 /nfs/dbraw/zinc/80/05/92/373800592.db2.gz FALHNJDEQQLKSX-CQSZACIVSA-N 2 0 295.431 -0.077 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000516025436 373800683 /nfs/dbraw/zinc/80/06/83/373800683.db2.gz FALHNJDEQQLKSX-AWEZNQCLSA-N 2 0 295.431 -0.077 20 0 CBADRP CC[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000521441375 373841096 /nfs/dbraw/zinc/84/10/96/373841096.db2.gz NNTWKWSZWVRCPN-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)[NH+](C)C ZINC000521269460 373841592 /nfs/dbraw/zinc/84/15/92/373841592.db2.gz ARHPMUZDSNHLBC-NEPJUHHUSA-N 2 0 286.420 -0.245 20 0 CBADRP NC(=O)Cn1cc(CN2CCCC[C@H]2CC[NH3+])nn1 ZINC000521874692 373851911 /nfs/dbraw/zinc/85/19/11/373851911.db2.gz AYXCIXNEWIXISG-NSHDSACASA-N 2 0 266.349 -0.533 20 0 CBADRP COCC[NH2+]CC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000521890905 373854476 /nfs/dbraw/zinc/85/44/76/373854476.db2.gz GORCWECREXRTPL-UHFFFAOYSA-N 2 0 255.362 -0.048 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000521998599 373856634 /nfs/dbraw/zinc/85/66/34/373856634.db2.gz YWUPNOMXXFVGEG-OLZOCXBDSA-N 2 0 296.415 -0.183 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000574451845 335020742 /nfs/dbraw/zinc/02/07/42/335020742.db2.gz QDJLAQRQWTWSOG-DZGCQCFKSA-N 2 0 288.395 -0.107 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)NC1CC[NH+](C2CC2)CC1 ZINC000529288341 373996198 /nfs/dbraw/zinc/99/61/98/373996198.db2.gz KDCTWPXHMUCLGQ-GFCCVEGCSA-N 2 0 282.388 -0.099 20 0 CBADRP C[C@@H](NC(=O)NC[C@@H]1COCC[NH2+]1)C1=CC[N@H+](C)CC1 ZINC000529323180 373999996 /nfs/dbraw/zinc/99/99/96/373999996.db2.gz MGYWEZUVGYRBQQ-DGCLKSJQSA-N 2 0 282.388 -0.076 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529330335 374003032 /nfs/dbraw/zinc/00/30/32/374003032.db2.gz AIEYRWJCDBJCAS-SDDRHHMPSA-N 2 0 270.377 -0.209 20 0 CBADRP [NH3+]CC1(NC(=O)N[C@@H]2CCC[NH2+]C2)CCOCC1 ZINC000529335338 374005040 /nfs/dbraw/zinc/00/50/40/374005040.db2.gz BNJAXBDRQDZDEU-SNVBAGLBSA-N 2 0 256.350 -0.455 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)NC[C@H]2COCC[NH2+]2)CC[NH2+]1 ZINC000529339402 374007198 /nfs/dbraw/zinc/00/71/98/374007198.db2.gz PQBNRLFTUZFIQZ-MXWKQRLJSA-N 2 0 256.350 -0.586 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000529343209 374008323 /nfs/dbraw/zinc/00/83/23/374008323.db2.gz VTABKPXCNCBDKA-WDEREUQCSA-N 2 0 270.377 -0.209 20 0 CBADRP [NH3+]CC1(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)CCOCC1 ZINC000529344415 374009270 /nfs/dbraw/zinc/00/92/70/374009270.db2.gz YRNHNXQNMBGTPF-SECBINFHSA-N 2 0 292.330 -0.209 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529387216 374023939 /nfs/dbraw/zinc/02/39/39/374023939.db2.gz KTAZJYFFGYLZCO-SDDRHHMPSA-N 2 0 270.377 -0.114 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529386328 374024120 /nfs/dbraw/zinc/02/41/20/374024120.db2.gz IFDSPRGATQLJGW-SDDRHHMPSA-N 2 0 270.377 -0.256 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000529384739 374024172 /nfs/dbraw/zinc/02/41/72/374024172.db2.gz IKQXJALNGOJFRB-NSHDSACASA-N 2 0 268.361 -0.536 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)C[C@H](C)[N@H+]1C ZINC000529383069 374021985 /nfs/dbraw/zinc/02/19/85/374021985.db2.gz FCMYELRLAUIAME-TUAOUCFPSA-N 2 0 270.377 -0.291 20 0 CBADRP C[C@@H]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000529385813 374024800 /nfs/dbraw/zinc/02/48/00/374024800.db2.gz HNBSGUCQAQUFPR-WOPDTQHZSA-N 2 0 270.377 -0.399 20 0 CBADRP C[C@@H]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000529385810 374024874 /nfs/dbraw/zinc/02/48/74/374024874.db2.gz HNBSGUCQAQUFPR-GRYCIOLGSA-N 2 0 270.377 -0.399 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)NC[C@@H]2COCC[NH2+]2)[C@H]1C ZINC000529388317 374026645 /nfs/dbraw/zinc/02/66/45/374026645.db2.gz NPLQRCVSVQXOBS-GARJFASQSA-N 2 0 256.350 -0.633 20 0 CBADRP CNC(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239152 374068310 /nfs/dbraw/zinc/06/83/10/374068310.db2.gz DNOWXAPMMAIABV-GFCCVEGCSA-N 2 0 255.362 -0.177 20 0 CBADRP CNC(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239153 374069422 /nfs/dbraw/zinc/06/94/22/374069422.db2.gz DNOWXAPMMAIABV-LBPRGKRZSA-N 2 0 255.362 -0.177 20 0 CBADRP C(C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC000530240111 374069438 /nfs/dbraw/zinc/06/94/38/374069438.db2.gz KRPHXDFYXXGURB-MRXNPFEDSA-N 3 0 296.459 -0.018 20 0 CBADRP CNC(=O)NC(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238375 374069649 /nfs/dbraw/zinc/06/96/49/374069649.db2.gz MREIRRHGZPGSEJ-GFCCVEGCSA-N 2 0 298.387 -0.468 20 0 CBADRP CNC(=O)NC[C@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000530231624 374069993 /nfs/dbraw/zinc/06/99/93/374069993.db2.gz SAEULGGORZCAEA-RYUDHWBXSA-N 2 0 270.377 -0.384 20 0 CBADRP NC(=O)NC(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530242892 374070011 /nfs/dbraw/zinc/07/00/11/374070011.db2.gz VOFCEJFYRHFQOO-NSHDSACASA-N 2 0 284.360 -0.728 20 0 CBADRP CCCC(=O)NCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000531357212 374131576 /nfs/dbraw/zinc/13/15/76/374131576.db2.gz AGUVRZCALWZBBC-UHFFFAOYSA-N 2 0 286.420 -0.146 20 0 CBADRP CN1CC[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1=O ZINC000530641789 374091519 /nfs/dbraw/zinc/09/15/19/374091519.db2.gz LRPCPLJWZAGFAP-ZDUSSCGKSA-N 2 0 298.431 -0.193 20 0 CBADRP CNC(=O)CN1CCC(NC(=O)NCC[NH+]2CCC2)CC1 ZINC000532787025 374175622 /nfs/dbraw/zinc/17/56/22/374175622.db2.gz IVWOPNVTNBQWRZ-UHFFFAOYSA-N 2 0 297.403 -0.798 20 0 CBADRP CC[N@H+](CC(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)C1CC1 ZINC000552082389 374262428 /nfs/dbraw/zinc/26/24/28/374262428.db2.gz QTDYEKGXSVPISN-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@H+](CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)C1CC1 ZINC000552436117 374269113 /nfs/dbraw/zinc/26/91/13/374269113.db2.gz NNRDCFYIPIVXQU-RYUDHWBXSA-N 2 0 255.362 -0.396 20 0 CBADRP C[C@@H]1CCNC(=O)[C@@H]1NC[C@H](O)C[N@H+](C)C1CC1 ZINC000554946414 374284787 /nfs/dbraw/zinc/28/47/87/374284787.db2.gz JDWJDBGZQYKUKM-ADEWGFFLSA-N 2 0 255.362 -0.444 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C[C@H]3C[NH2+]CCO3)C[C@H]21 ZINC000566561414 374331003 /nfs/dbraw/zinc/33/10/03/374331003.db2.gz YETKVQSKHSBRHH-YVECIDJPSA-N 2 0 267.373 -0.049 20 0 CBADRP C[C@H](CNC(=O)CC1(C[NH3+])CC1)N1CC[NH+](C)CC1 ZINC000577846011 374341045 /nfs/dbraw/zinc/34/10/45/374341045.db2.gz SSSMJMQPODDICB-GFCCVEGCSA-N 2 0 268.405 -0.133 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000577868681 374342610 /nfs/dbraw/zinc/34/26/10/374342610.db2.gz GSSBWELBKQJYLG-ZFWWWQNUSA-N 2 0 299.415 -0.033 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000577868680 374342621 /nfs/dbraw/zinc/34/26/21/374342621.db2.gz GSSBWELBKQJYLG-UKRRQHHQSA-N 2 0 299.415 -0.033 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])[C@H](C[NH3+])C1 ZINC000583311918 374360984 /nfs/dbraw/zinc/36/09/84/374360984.db2.gz HPZSDJCLNMAQGJ-YNEHKIRRSA-N 2 0 283.420 -0.212 20 0 CBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3)C2)CC1 ZINC000583323190 374361844 /nfs/dbraw/zinc/36/18/44/374361844.db2.gz GQFWSXJUCJYMHM-MJBXVCDLSA-N 2 0 280.416 -0.038 20 0 CBADRP COC[C@@]1(CNC(=O)[C@@H]2[NH2+]CC2(C)C)CCC[NH2+]1 ZINC000644125917 374490283 /nfs/dbraw/zinc/49/02/83/374490283.db2.gz BHGUOCYNVZLBRE-GWCFXTLKSA-N 2 0 255.362 -0.131 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000644149164 374494059 /nfs/dbraw/zinc/49/40/59/374494059.db2.gz CPFFOHMHYUYQGV-SDDRHHMPSA-N 2 0 253.346 -0.425 20 0 CBADRP CCC[NH2+]CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000574519623 335026064 /nfs/dbraw/zinc/02/60/64/335026064.db2.gz RSOIGBDHPIXKJX-NSHDSACASA-N 2 0 258.366 -0.798 20 0 CBADRP COc1cccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)n1 ZINC000644532959 374590796 /nfs/dbraw/zinc/59/07/96/374590796.db2.gz JCDCTPSSICQJPG-CQSZACIVSA-N 2 0 294.399 -0.212 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000644561575 374595394 /nfs/dbraw/zinc/59/53/94/374595394.db2.gz AZIXHHITTYGRTH-OCCSQVGLSA-N 2 0 271.405 -0.248 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000645136455 374644959 /nfs/dbraw/zinc/64/49/59/374644959.db2.gz HOKGDUCZTZCJSH-GFCCVEGCSA-N 2 0 282.388 -0.639 20 0 CBADRP [NH3+]CCOCC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000645127755 374645171 /nfs/dbraw/zinc/64/51/71/374645171.db2.gz KWGGUGBOISPRQQ-GFCCVEGCSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]CCOCC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000645220931 374651971 /nfs/dbraw/zinc/65/19/71/374651971.db2.gz CELOMVUVADJJRP-UHFFFAOYSA-N 2 0 264.329 -0.295 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)COCC[NH3+])C[C@@H](C)O1 ZINC000645299447 374658871 /nfs/dbraw/zinc/65/88/71/374658871.db2.gz NXFHHUQUKMDJAN-VXGBXAGGSA-N 2 0 273.377 -0.423 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)[C@@H]2C[NH2+]CCO2)cn1 ZINC000645803290 374700510 /nfs/dbraw/zinc/70/05/10/374700510.db2.gz NJJJSSLKSOBGDR-NSHDSACASA-N 2 0 267.333 -0.628 20 0 CBADRP [NH3+]CCOCC(=O)NCCCC[NH+]1CCOCC1 ZINC000645525406 374678400 /nfs/dbraw/zinc/67/84/00/374678400.db2.gz AFBKGBGNFNGWGV-UHFFFAOYSA-N 2 0 259.350 -0.810 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000645685303 374692657 /nfs/dbraw/zinc/69/26/57/374692657.db2.gz ZURFHVIVXYPSCH-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000645684668 374693097 /nfs/dbraw/zinc/69/30/97/374693097.db2.gz DGWFTLKNJORMQV-QWRGUYRKSA-N 2 0 268.361 -0.935 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000645685211 374693148 /nfs/dbraw/zinc/69/31/48/374693148.db2.gz VKPWEEUGIWVFRY-VXGBXAGGSA-N 2 0 292.387 -0.146 20 0 CBADRP COC[C@@]1(C(=O)NCC[NH+]2CCC(OC)CC2)CC[NH2+]C1 ZINC000646180760 374750085 /nfs/dbraw/zinc/75/00/85/374750085.db2.gz AECNEAIWHQCEHH-OAHLLOKOSA-N 2 0 299.415 -0.161 20 0 CBADRP COC1CC[NH+](CCNC(=O)C[NH2+]C2CC2)CC1 ZINC000646180771 374750150 /nfs/dbraw/zinc/75/01/50/374750150.db2.gz ASGBGPZBUBNJIY-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP COC1CC[NH+](CCNC(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000646180767 374750339 /nfs/dbraw/zinc/75/03/39/374750339.db2.gz ANMCSYKJGBDBRD-AWEZNQCLSA-N 2 0 299.415 -0.018 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000646216643 374759483 /nfs/dbraw/zinc/75/94/83/374759483.db2.gz LDCLIPSRZMRPAJ-UWVGGRQHSA-N 2 0 256.350 -0.504 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CC(C)(C)[NH3+] ZINC000645947085 374716515 /nfs/dbraw/zinc/71/65/15/374716515.db2.gz KVIJBOADBAYPOJ-NSHDSACASA-N 2 0 256.394 -0.134 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)COCC[NH3+])CC1 ZINC000645950419 374716792 /nfs/dbraw/zinc/71/67/92/374716792.db2.gz PGHZDJBMUBKLIP-CQSZACIVSA-N 2 0 298.431 -0.410 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 ZINC000645951640 374717101 /nfs/dbraw/zinc/71/71/01/374717101.db2.gz SATMMSDEGDRZQE-GRYCIOLGSA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000645947224 374717139 /nfs/dbraw/zinc/71/71/39/374717139.db2.gz FAPZTPBCABNLAV-UPJWGTAASA-N 2 0 268.405 -0.264 20 0 CBADRP COCC[NH2+]CC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953170 374717260 /nfs/dbraw/zinc/71/72/60/374717260.db2.gz FXHCSLWYIOQKER-LBPRGKRZSA-N 2 0 255.362 -0.177 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953369 374718105 /nfs/dbraw/zinc/71/81/05/374718105.db2.gz RCXNFJCNHDCNME-STQMWFEESA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1C[NH2+]CCO1 ZINC000645953476 374718906 /nfs/dbraw/zinc/71/89/06/374718906.db2.gz VIDOIRZVMXNUDN-NWDGAFQWSA-N 2 0 253.346 -0.425 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645978123 374720889 /nfs/dbraw/zinc/72/08/89/374720889.db2.gz SNOMYCKMLFPCEN-RYUDHWBXSA-N 3 0 268.405 -0.134 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645966021 374721048 /nfs/dbraw/zinc/72/10/48/374721048.db2.gz OPFMSACKBUKNDF-GHMZBOCLSA-N 2 0 254.378 -0.654 20 0 CBADRP C[NH2+]CCC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645977495 374721092 /nfs/dbraw/zinc/72/10/92/374721092.db2.gz CYUQIMADFFRENG-LBPRGKRZSA-N 3 0 268.405 -0.119 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000646003214 374724661 /nfs/dbraw/zinc/72/46/61/374724661.db2.gz WMWYLRVVLIOESH-ZIAGYGMSSA-N 2 0 298.431 -0.411 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000646003034 374724749 /nfs/dbraw/zinc/72/47/49/374724749.db2.gz OGFIVRHDPYCLJQ-VXGBXAGGSA-N 2 0 254.378 -0.428 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009373 374726246 /nfs/dbraw/zinc/72/62/46/374726246.db2.gz FSHFTHSETODBAM-UONOGXRCSA-N 2 0 298.431 -0.635 20 0 CBADRP O=C(C[NH2+]C1CC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009451 374726537 /nfs/dbraw/zinc/72/65/37/374726537.db2.gz KXJHKNWBGKPWMF-AWEZNQCLSA-N 2 0 296.415 -0.739 20 0 CBADRP C[NH2+]CCCC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009598 374726770 /nfs/dbraw/zinc/72/67/70/374726770.db2.gz WQRUNUGQXKNPIL-AWEZNQCLSA-N 2 0 298.431 -0.491 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)CNC(=O)C[NH3+] ZINC000646012654 374727644 /nfs/dbraw/zinc/72/76/44/374727644.db2.gz VBNVKUUNGSNCNM-SNVBAGLBSA-N 2 0 256.350 -0.948 20 0 CBADRP CC(C)(C)[NH2+]CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000646050880 374736578 /nfs/dbraw/zinc/73/65/78/374736578.db2.gz RPKYLUIIXGVRDK-LLVKDONJSA-N 2 0 284.404 -0.251 20 0 CBADRP [NH3+]CCOCC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000646061172 374736776 /nfs/dbraw/zinc/73/67/76/374736776.db2.gz OFJSTSBERHHSNW-LBPRGKRZSA-N 2 0 255.362 -0.094 20 0 CBADRP COCCCNC(=O)CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103424 374740306 /nfs/dbraw/zinc/74/03/06/374740306.db2.gz RLULCVUIZQCZBJ-UHFFFAOYSA-N 2 0 299.415 -0.064 20 0 CBADRP CC(C)([NH3+])CC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000646637935 374798335 /nfs/dbraw/zinc/79/83/35/374798335.db2.gz FJZXUBSVDZYVHV-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000646637953 374798718 /nfs/dbraw/zinc/79/87/18/374798718.db2.gz HUAQWKRUPSUNHH-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000646666027 374802460 /nfs/dbraw/zinc/80/24/60/374802460.db2.gz PSZRCLUPKXSXJU-OLZOCXBDSA-N 2 0 296.415 -0.168 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000646667622 374802613 /nfs/dbraw/zinc/80/26/13/374802613.db2.gz XLJUJGISMVLPLR-MNOVXSKESA-N 2 0 282.388 -0.702 20 0 CBADRP C[NH2+]CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000646680226 374803282 /nfs/dbraw/zinc/80/32/82/374803282.db2.gz ATXVABGVYZJLDS-GBIKHYSHSA-N 2 0 255.362 -0.146 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CC[NH2+]C1 ZINC000646760523 374809602 /nfs/dbraw/zinc/80/96/02/374809602.db2.gz LCGSISUABIZQHC-MDZLAQPJSA-N 2 0 255.362 -0.192 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000646803768 374816899 /nfs/dbraw/zinc/81/68/99/374816899.db2.gz PXQJGFRNHMHNIW-MRVPVSSYSA-N 2 0 279.348 -0.849 20 0 CBADRP CN1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)[C@@H](C[NH3+])C1 ZINC000646835441 374821566 /nfs/dbraw/zinc/82/15/66/374821566.db2.gz CSCALOWXYVFNKC-ZFWWWQNUSA-N 2 0 288.395 -0.025 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)[C@@H](C[NH3+])C1 ZINC000646835438 374822426 /nfs/dbraw/zinc/82/24/26/374822426.db2.gz CSCALOWXYVFNKC-DZGCQCFKSA-N 2 0 288.395 -0.025 20 0 CBADRP COC[C@]1(C(=O)N2CCC(OCCC[NH3+])CC2)CC[NH2+]C1 ZINC000646829095 374822728 /nfs/dbraw/zinc/82/27/28/374822728.db2.gz JXFAZNZWPGVIDE-HNNXBMFYSA-N 2 0 299.415 -0.031 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000646844522 374825394 /nfs/dbraw/zinc/82/53/94/374825394.db2.gz VQMBLMLXCLLCLU-USZNOCQGSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(C)(C)N2CC[NH2+]CC2)CCO1 ZINC000646844029 374825497 /nfs/dbraw/zinc/82/54/97/374825497.db2.gz NXIAOELINUFKFR-RYUDHWBXSA-N 2 0 284.404 -0.755 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)CCO1 ZINC000646843840 374825666 /nfs/dbraw/zinc/82/56/66/374825666.db2.gz MKMDXBSPARYDJG-NOHGZBONSA-N 2 0 253.346 -0.439 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@H]2CSCC[NH2+]2)CCO1 ZINC000646843027 374825734 /nfs/dbraw/zinc/82/57/34/374825734.db2.gz GPOZNNVYPWZADM-GARJFASQSA-N 2 0 273.402 -0.344 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000646844483 374826107 /nfs/dbraw/zinc/82/61/07/374826107.db2.gz VCURCLRQBVMVJO-TUAOUCFPSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)CCO1 ZINC000646843028 374826122 /nfs/dbraw/zinc/82/61/22/374826122.db2.gz GPOZNNVYPWZADM-HBNTYKKESA-N 2 0 273.402 -0.344 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646851021 374826892 /nfs/dbraw/zinc/82/68/92/374826892.db2.gz MRWJUNQRSIHEMJ-BJDJZHNGSA-N 2 0 255.362 -0.051 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CCO3)[C@@H]2C1 ZINC000646297698 374767497 /nfs/dbraw/zinc/76/74/97/374767497.db2.gz ZLDXBPAYSJFYPM-UTUOFQBUSA-N 2 0 253.346 -0.473 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC[NH2+]C1 ZINC000646338254 374771092 /nfs/dbraw/zinc/77/10/92/374771092.db2.gz GELASMNFLXJDCD-BZPMIXESSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC[NH2+]1 ZINC000646332396 374771310 /nfs/dbraw/zinc/77/13/10/374771310.db2.gz UFNDNFGQDACWTM-VHSXEESVSA-N 2 0 263.345 -0.080 20 0 CBADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000646349151 374772439 /nfs/dbraw/zinc/77/24/39/374772439.db2.gz ZOBUBXORAIMQDY-CHWSQXEVSA-N 2 0 268.405 -0.134 20 0 CBADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000646349152 374772525 /nfs/dbraw/zinc/77/25/25/374772525.db2.gz ZOBUBXORAIMQDY-QWHCGFSZSA-N 2 0 268.405 -0.134 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000646363887 374773498 /nfs/dbraw/zinc/77/34/98/374773498.db2.gz KCRCKGYLJKRKNX-NEPJUHHUSA-N 2 0 266.389 -0.510 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000646363603 374773702 /nfs/dbraw/zinc/77/37/02/374773702.db2.gz KSICZMGRUJPWJE-SWLSCSKDSA-N 2 0 294.399 -0.543 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000646363863 374774003 /nfs/dbraw/zinc/77/40/03/374774003.db2.gz DYXGYYXBQKVFLF-ZIAGYGMSSA-N 2 0 280.416 -0.023 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCC2(CC[NH2+]C2)CC1 ZINC000646372432 374776049 /nfs/dbraw/zinc/77/60/49/374776049.db2.gz JPUIGWOMXACVAR-GFCCVEGCSA-N 2 0 267.373 -0.033 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647051070 374874985 /nfs/dbraw/zinc/87/49/85/374874985.db2.gz RDNNHPVFOSUVFW-FRRDWIJNSA-N 2 0 267.373 -0.131 20 0 CBADRP CC(C)(C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)N1CC[NH2+]CC1 ZINC000647082840 374882178 /nfs/dbraw/zinc/88/21/78/374882178.db2.gz NUYKDXRTVHQLLU-NEPJUHHUSA-N 2 0 268.405 -0.086 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000647082672 374883023 /nfs/dbraw/zinc/88/30/23/374883023.db2.gz VVIFLDQCONPSRT-IJLUTSLNSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000647086473 374883746 /nfs/dbraw/zinc/88/37/46/374883746.db2.gz QBKMAUNNPAVOPG-GRYCIOLGSA-N 2 0 255.362 -0.001 20 0 CBADRP CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@@H](C[NH3+])C1CC1 ZINC000647085479 374883875 /nfs/dbraw/zinc/88/38/75/374883875.db2.gz DGBRWUYPCVHFJV-NEPJUHHUSA-N 2 0 282.388 -0.560 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000647087920 374884364 /nfs/dbraw/zinc/88/43/64/374884364.db2.gz WVOMFCJUVPPQBO-NEPJUHHUSA-N 2 0 292.387 -0.102 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]CC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000646985101 374855890 /nfs/dbraw/zinc/85/58/90/374855890.db2.gz NBJWDWBAGPLWSA-VXGBXAGGSA-N 2 0 292.387 -0.098 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000646978964 374856077 /nfs/dbraw/zinc/85/60/77/374856077.db2.gz ICZAXPDGUSETSR-IJLUTSLNSA-N 2 0 292.387 -0.242 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]CC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000646985098 374856348 /nfs/dbraw/zinc/85/63/48/374856348.db2.gz NBJWDWBAGPLWSA-NEPJUHHUSA-N 2 0 292.387 -0.098 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CCC[NH2+]CC1 ZINC000646988672 374857477 /nfs/dbraw/zinc/85/74/77/374857477.db2.gz XIDWISHICXGLEX-VXGBXAGGSA-N 2 0 282.388 -0.497 20 0 CBADRP CC[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)CC[C@@H]1[NH3+] ZINC000647015232 374859822 /nfs/dbraw/zinc/85/98/22/374859822.db2.gz KUKDXCVVHMGSLB-PWSUYJOCSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000647016142 374859950 /nfs/dbraw/zinc/85/99/50/374859950.db2.gz QYZIYRJMCCJKJJ-SDDRHHMPSA-N 2 0 282.388 -0.499 20 0 CBADRP CC[C@H]1CN(C(=O)CCOC2C[NH2+]C2)CC[C@H]1[NH3+] ZINC000647015230 374860002 /nfs/dbraw/zinc/86/00/02/374860002.db2.gz KUKDXCVVHMGSLB-CMPLNLGQSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000647017883 374860641 /nfs/dbraw/zinc/86/06/41/374860641.db2.gz GGHBMTDABDYZQZ-CHWSQXEVSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000647020923 374861370 /nfs/dbraw/zinc/86/13/70/374861370.db2.gz RMRYTXIZDLZJFA-KOLCDFICSA-N 2 0 251.334 -0.115 20 0 CBADRP C[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)N(C)C1CC1 ZINC000574632495 335035166 /nfs/dbraw/zinc/03/51/66/335035166.db2.gz XGYWUQXQSVTTRT-UKRRQHHQSA-N 2 0 284.448 -0.333 20 0 CBADRP C[C@@H]1CCN(C(=O)C[C@H]2COCC[NH2+]2)C[C@H]1C[NH3+] ZINC000574637053 335035746 /nfs/dbraw/zinc/03/57/46/335035746.db2.gz QTMIUPZGXMEAPT-UTUOFQBUSA-N 2 0 255.362 -0.192 20 0 CBADRP CC[N@H+](C)Cc1cccc(CNC(=O)CNC(=O)C[NH3+])c1 ZINC000262465723 190055842 /nfs/dbraw/zinc/05/58/42/190055842.db2.gz YFUOABAMDUMCQR-UHFFFAOYSA-N 2 0 292.383 -0.171 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)[C@H](C)C[NH2+]1 ZINC000356399099 248247136 /nfs/dbraw/zinc/24/71/36/248247136.db2.gz YFCDKAYNMWAHKE-IJLUTSLNSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000356873177 248296822 /nfs/dbraw/zinc/29/68/22/248296822.db2.gz GHTXGUMVGPGQHQ-MCIONIFRSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000357229943 248336143 /nfs/dbraw/zinc/33/61/43/248336143.db2.gz WSYTZNHZMDHNMT-NSHDSACASA-N 2 0 255.362 -0.096 20 0 CBADRP CCCN(CCOCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000357028850 248310380 /nfs/dbraw/zinc/31/03/80/248310380.db2.gz NAKODSUNJBTCOP-LLVKDONJSA-N 2 0 264.391 -0.139 20 0 CBADRP [NH3+]CCOCCN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000357066912 248315696 /nfs/dbraw/zinc/31/56/96/248315696.db2.gz CYVHBKVXRCJJKL-UHFFFAOYSA-N 2 0 284.404 -0.798 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000357078218 248319287 /nfs/dbraw/zinc/31/92/87/248319287.db2.gz BXIMSIRVVAGFNR-LBPRGKRZSA-N 2 0 253.350 -0.035 20 0 CBADRP CC[C@@H]1CN(CCOCC[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000357077968 248320065 /nfs/dbraw/zinc/32/00/65/248320065.db2.gz JOPUVZVYDIVBGN-QWHCGFSZSA-N 2 0 259.394 -0.261 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000357225477 248334544 /nfs/dbraw/zinc/33/45/44/248334544.db2.gz NIUKYHKFYSFESZ-ZIAGYGMSSA-N 2 0 298.431 -0.493 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]([NH3+])COC ZINC000357228158 248337544 /nfs/dbraw/zinc/33/75/44/248337544.db2.gz SJICDPVCHLEVHK-WDEREUQCSA-N 2 0 261.366 -0.567 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000357294225 248345428 /nfs/dbraw/zinc/34/54/28/248345428.db2.gz JAVXURITWRKPNO-BYNQJWBRSA-N 2 0 296.415 -0.253 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000357296204 248348844 /nfs/dbraw/zinc/34/88/44/248348844.db2.gz KVCIPDYBDYISFD-DCQANWLSSA-N 2 0 255.362 -0.132 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000514727910 248910736 /nfs/dbraw/zinc/91/07/36/248910736.db2.gz QLHCQOVJAIIIAR-RWMBFGLXSA-N 2 0 294.399 -0.545 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000515841875 248921101 /nfs/dbraw/zinc/92/11/01/248921101.db2.gz FRVAVNKGIYLHGG-TYNCELHUSA-N 2 0 294.399 -0.701 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC[NH2+]C1 ZINC000516286395 248923831 /nfs/dbraw/zinc/92/38/31/248923831.db2.gz OLBWRSMKDVZMEV-SCRDCRAPSA-N 2 0 267.373 -0.177 20 0 CBADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000349025591 295266185 /nfs/dbraw/zinc/26/61/85/295266185.db2.gz ICVFLKWFBYZILV-PWSUYJOCSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)C[C@@H]21 ZINC000653129720 412885075 /nfs/dbraw/zinc/88/50/75/412885075.db2.gz HFBNBZCQTRPQJF-BAYHKCFCSA-N 2 0 279.384 -0.192 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000653129000 412885551 /nfs/dbraw/zinc/88/55/51/412885551.db2.gz JFUMYPXVIYVCOQ-NWDGAFQWSA-N 2 0 256.394 -0.134 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653127643 412885559 /nfs/dbraw/zinc/88/55/59/412885559.db2.gz QLCRIMUAMGCACB-VXGBXAGGSA-N 2 0 255.362 -0.131 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)CN(C)[C@@H]2COC[C@H]2O)CC1 ZINC000574710426 335041966 /nfs/dbraw/zinc/04/19/66/335041966.db2.gz NWORJSQMARAELP-ZIAGYGMSSA-N 2 0 299.415 -0.333 20 0 CBADRP Cn1nncc1C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347164946 218142660 /nfs/dbraw/zinc/14/26/60/218142660.db2.gz JKIUGFKZKDVEJO-GFCCVEGCSA-N 2 0 292.387 -0.541 20 0 CBADRP CC(C)C[C@@H]([NH2+][C@@H](C)CC(N)=O)C(=O)NCC[NH+](C)C ZINC000347197665 218152259 /nfs/dbraw/zinc/15/22/59/218152259.db2.gz AZOQRMWJKHHOTD-NWDGAFQWSA-N 2 0 286.420 -0.068 20 0 CBADRP C[NH+](C)C1(CNC(=O)CNC(=O)C[NH3+])CCCCCC1 ZINC000347616529 218292347 /nfs/dbraw/zinc/29/23/47/218292347.db2.gz RYDPLUQGBWQUCT-UHFFFAOYSA-N 2 0 284.404 -0.168 20 0 CBADRP CC[NH+](CC)CCCCNC(=O)CNC(=O)C[NH3+] ZINC000347655324 218308244 /nfs/dbraw/zinc/30/82/44/218308244.db2.gz PFUQHSBKRNKMPV-UHFFFAOYSA-N 2 0 258.366 -0.701 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000347642544 218302371 /nfs/dbraw/zinc/30/23/71/218302371.db2.gz AVQGHWBJLQZRQO-GFCCVEGCSA-N 2 0 282.388 -0.558 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000347655661 218309496 /nfs/dbraw/zinc/30/94/96/218309496.db2.gz CKTCSOZRBQRLLI-GFCCVEGCSA-N 2 0 282.388 -0.604 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC000347663262 218311272 /nfs/dbraw/zinc/31/12/72/218311272.db2.gz GNSPRDWBLQFBGW-LLVKDONJSA-N 2 0 270.377 -0.845 20 0 CBADRP C[N@@H+]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000347660466 218312155 /nfs/dbraw/zinc/31/21/55/218312155.db2.gz WKPKQLPCLPNFKT-NSHDSACASA-N 2 0 268.361 -0.981 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000574742848 335043709 /nfs/dbraw/zinc/04/37/09/335043709.db2.gz LFWBDUBXBCSLSM-STQMWFEESA-N 2 0 296.415 -0.217 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000574755014 335044774 /nfs/dbraw/zinc/04/47/74/335044774.db2.gz SFXBUUSGDBOCBD-AGIUHOORSA-N 2 0 267.373 -0.177 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000153948139 207381796 /nfs/dbraw/zinc/38/17/96/207381796.db2.gz AWTFIXHDDAWADO-CHWSQXEVSA-N 2 0 268.405 -0.167 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000153948027 207383807 /nfs/dbraw/zinc/38/38/07/207383807.db2.gz AWTFIXHDDAWADO-BETUJISGSA-N 2 0 268.405 -0.167 20 0 CBADRP COCCN1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)C[C@H]1C ZINC000168028330 207399208 /nfs/dbraw/zinc/39/92/08/207399208.db2.gz BYQQQCIYBXTMNY-CHWSQXEVSA-N 2 0 285.388 -0.456 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NCC[N@H+]1CC=CCC1 ZINC000574787312 335047309 /nfs/dbraw/zinc/04/73/09/335047309.db2.gz UPTQXQCAINCLRW-CYBMUJFWSA-N 2 0 281.404 -0.549 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000493968595 532969113 /nfs/dbraw/zinc/96/91/13/532969113.db2.gz LDYFHAUBCMIZPC-IJLUTSLNSA-N 2 0 256.394 -0.278 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NCC2([NH+](C)C)CC2)CC1=O ZINC000416300513 207541490 /nfs/dbraw/zinc/54/14/90/207541490.db2.gz JFVKPOFWOJQQOP-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCC[NH3+] ZINC000418881550 207615093 /nfs/dbraw/zinc/61/50/93/207615093.db2.gz XMMAABRGRVPNRF-ZDUSSCGKSA-N 2 0 292.383 -0.650 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419141438 207649604 /nfs/dbraw/zinc/64/96/04/207649604.db2.gz VGFNUIDEWIFPSR-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000419402622 207686754 /nfs/dbraw/zinc/68/67/54/207686754.db2.gz CMNXLWIORACLBA-GFCCVEGCSA-N 2 0 296.415 -0.168 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419521549 207697497 /nfs/dbraw/zinc/69/74/97/207697497.db2.gz KDYTWPXTXIAZSM-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)C1CC1 ZINC000419524537 207700203 /nfs/dbraw/zinc/70/02/03/207700203.db2.gz QAOYJGHSBMGGLQ-GFCCVEGCSA-N 2 0 282.388 -0.560 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[NH3+] ZINC000417567433 285024548 /nfs/dbraw/zinc/02/45/48/285024548.db2.gz NNUVYHRGZBXABY-WDEREUQCSA-N 2 0 258.366 -0.256 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419524911 207701170 /nfs/dbraw/zinc/70/11/70/207701170.db2.gz QOOUDQLKLBAORZ-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000167263505 285025725 /nfs/dbraw/zinc/02/57/25/285025725.db2.gz GLBYHYRVGNYARK-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)C(C)(C)C[NH+](C)C ZINC000419549003 207707099 /nfs/dbraw/zinc/70/70/99/207707099.db2.gz SJPMNYVCARBSHG-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000419545370 207703755 /nfs/dbraw/zinc/70/37/55/207703755.db2.gz MPDGYRHBRFOTBL-LLVKDONJSA-N 2 0 286.420 -0.195 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000419668766 207720377 /nfs/dbraw/zinc/72/03/77/207720377.db2.gz UUJXGPVCHRVWJW-GFCCVEGCSA-N 2 0 298.431 -0.064 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)C1CCCC1 ZINC000419692181 207721374 /nfs/dbraw/zinc/72/13/74/207721374.db2.gz GFVXGGMVUQZKPR-ZDUSSCGKSA-N 2 0 296.415 -0.170 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000376719510 285026913 /nfs/dbraw/zinc/02/69/13/285026913.db2.gz DFLISQZFGPZJDP-DGCLKSJQSA-N 2 0 273.352 -0.085 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000515618939 285033444 /nfs/dbraw/zinc/03/34/44/285033444.db2.gz AAFXDRCDURVJGJ-NEPJUHHUSA-N 2 0 270.377 -0.160 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000423382763 285035765 /nfs/dbraw/zinc/03/57/65/285035765.db2.gz PCOHCGMGOXACMB-ZFWWWQNUSA-N 2 0 299.415 -0.161 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000419846447 207744518 /nfs/dbraw/zinc/74/45/18/207744518.db2.gz PPCLKTUTAKQJJM-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419862210 207747177 /nfs/dbraw/zinc/74/71/77/207747177.db2.gz MWHUBWNZANXETF-CYBMUJFWSA-N 2 0 298.431 -0.114 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419864990 207749810 /nfs/dbraw/zinc/74/98/10/207749810.db2.gz PAMFKYHBGDGZLH-QWHCGFSZSA-N 2 0 296.415 -0.217 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000423382759 285037790 /nfs/dbraw/zinc/03/77/90/285037790.db2.gz PCOHCGMGOXACMB-DZGCQCFKSA-N 2 0 299.415 -0.161 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C[NH3+])OC)C1 ZINC000447435652 285054129 /nfs/dbraw/zinc/05/41/29/285054129.db2.gz QCJHSCTUCUNCJH-GHMZBOCLSA-N 2 0 259.350 -0.813 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424059139 207957884 /nfs/dbraw/zinc/95/78/84/207957884.db2.gz MTMNSOBIXXGMGD-NEPJUHHUSA-N 2 0 292.387 -0.068 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424149741 207962952 /nfs/dbraw/zinc/96/29/52/207962952.db2.gz CCIVCPRBHDZJOJ-GHMZBOCLSA-N 2 0 280.376 -0.070 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424155425 207963831 /nfs/dbraw/zinc/96/38/31/207963831.db2.gz NXBABNLPJLOUSG-UWVGGRQHSA-N 2 0 266.349 -0.473 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000428542367 208092506 /nfs/dbraw/zinc/09/25/06/208092506.db2.gz QPUCDTBPHHNMQY-ZDUSSCGKSA-N 2 0 268.405 -0.179 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000428542366 208092935 /nfs/dbraw/zinc/09/29/35/208092935.db2.gz QPUCDTBPHHNMQY-CYBMUJFWSA-N 2 0 268.405 -0.179 20 0 CBADRP CN1CCN(C(=O)CC[N@H+](CCO)C2CC2)CC1 ZINC000429673878 208127510 /nfs/dbraw/zinc/12/75/10/208127510.db2.gz JEPRGDLQKRBKPL-UHFFFAOYSA-N 2 0 255.362 -0.393 20 0 CBADRP CC(C)[C@H]1C(=O)NCCN1CCC(=O)N1CCN(C)CC1 ZINC000429672478 208128210 /nfs/dbraw/zinc/12/82/10/208128210.db2.gz DSQMGNFNWVZYIM-AWEZNQCLSA-N 2 0 296.415 -0.393 20 0 CBADRP COC(=O)[C@@H]1CN(CCC(=O)N2CCN(C)CC2)CCO1 ZINC000429678070 208128650 /nfs/dbraw/zinc/12/86/50/208128650.db2.gz MOYAXARSVMQEPJ-LBPRGKRZSA-N 2 0 299.371 -0.976 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NCC[C@H](C)[NH3+])CC1 ZINC000429037346 208107333 /nfs/dbraw/zinc/10/73/33/208107333.db2.gz XGTDHXUAODSJPB-LBPRGKRZSA-N 2 0 256.394 -0.133 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[C@H]1[NH3+] ZINC000429166132 208111335 /nfs/dbraw/zinc/11/13/35/208111335.db2.gz UGCZKEIEPHMTBY-FRRDWIJNSA-N 2 0 296.415 -0.408 20 0 CBADRP O=C(COC1C[NH2+]C1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000430715994 208174795 /nfs/dbraw/zinc/17/47/95/208174795.db2.gz RNXVFIZMIXFRRM-SNVBAGLBSA-N 2 0 253.346 -0.425 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000430711720 208174909 /nfs/dbraw/zinc/17/49/09/208174909.db2.gz GCDSCGUREZAPRX-TUAOUCFPSA-N 2 0 255.362 -0.049 20 0 CBADRP CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430576401 208165157 /nfs/dbraw/zinc/16/51/57/208165157.db2.gz XFEPQDSMZJFYHY-WDEREUQCSA-N 2 0 263.407 -0.015 20 0 CBADRP CC(C)N1CC[C@@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000430629332 208167951 /nfs/dbraw/zinc/16/79/51/208167951.db2.gz PWYKYFVINSOGLA-QWHCGFSZSA-N 2 0 296.415 -0.217 20 0 CBADRP CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430633983 208169149 /nfs/dbraw/zinc/16/91/49/208169149.db2.gz AUBZADRWOVPXBO-ZDUSSCGKSA-N 2 0 296.415 -0.358 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000430636471 208169396 /nfs/dbraw/zinc/16/93/96/208169396.db2.gz JGNZRFZRUAMROK-DGCLKSJQSA-N 2 0 294.399 -0.463 20 0 CBADRP [NH3+][C@H]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000430623812 208169733 /nfs/dbraw/zinc/16/97/33/208169733.db2.gz NFLFKZBCEQMUMM-NSHDSACASA-N 2 0 266.389 -0.238 20 0 CBADRP [NH3+]CC1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000430666383 208171060 /nfs/dbraw/zinc/17/10/60/208171060.db2.gz NYOUJSJANKZKJQ-UHFFFAOYSA-N 2 0 255.362 -0.094 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000430695278 208172145 /nfs/dbraw/zinc/17/21/45/208172145.db2.gz MPAKNIYRVWKMMR-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000430695807 208172201 /nfs/dbraw/zinc/17/22/01/208172201.db2.gz AHFAMLAYAHZUPG-GFCCVEGCSA-N 2 0 273.377 -0.551 20 0 CBADRP COCC[NH2+]CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251609783 285075589 /nfs/dbraw/zinc/07/55/89/285075589.db2.gz DLAXGOVMSLLVSR-NEPJUHHUSA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000430741857 208178285 /nfs/dbraw/zinc/17/82/85/208178285.db2.gz FFCHTZBJQULUQA-HZSPNIEDSA-N 2 0 299.415 -0.020 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000430794503 208180454 /nfs/dbraw/zinc/18/04/54/208180454.db2.gz QKZNVECAAYPAAJ-RYUDHWBXSA-N 2 0 255.362 -0.096 20 0 CBADRP C[C@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC[NH2+]C1 ZINC000430891996 208186373 /nfs/dbraw/zinc/18/63/73/208186373.db2.gz YZIOZUFNQCOZDZ-FZMZJTMJSA-N 2 0 282.388 -0.558 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C[NH2+]CC2CC2)C1 ZINC000430890725 208186876 /nfs/dbraw/zinc/18/68/76/208186876.db2.gz SARBDIXKWUMJOA-ZDUSSCGKSA-N 2 0 296.415 -0.310 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000430892249 208186905 /nfs/dbraw/zinc/18/69/05/208186905.db2.gz CCEARPIDGKWWFZ-XQQFMLRXSA-N 2 0 296.415 -0.183 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C[NH2+]CC2CC2)C1 ZINC000430890724 208187353 /nfs/dbraw/zinc/18/73/53/208187353.db2.gz SARBDIXKWUMJOA-CYBMUJFWSA-N 2 0 296.415 -0.310 20 0 CBADRP CC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000430876926 208187828 /nfs/dbraw/zinc/18/78/28/208187828.db2.gz IACHLJUKXVNHCI-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000430890736 208188668 /nfs/dbraw/zinc/18/86/68/208188668.db2.gz UPARWONAGMOSPT-VXGBXAGGSA-N 2 0 282.388 -0.416 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000430903749 208190992 /nfs/dbraw/zinc/19/09/92/208190992.db2.gz LAVCDRUCYUOPCF-NWDGAFQWSA-N 2 0 282.388 -0.416 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000430896940 208191315 /nfs/dbraw/zinc/19/13/15/208191315.db2.gz JLMOHWMCGIYOSV-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000430897490 208191755 /nfs/dbraw/zinc/19/17/55/208191755.db2.gz NWNBYPABOPRGGB-VXGBXAGGSA-N 2 0 282.388 -0.701 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2CC[C@@H](C[NH3+])C2)CC1 ZINC000430936671 208192363 /nfs/dbraw/zinc/19/23/63/208192363.db2.gz VRNCIUIBKACYPF-LBPRGKRZSA-N 2 0 268.405 -0.133 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000431005303 208196023 /nfs/dbraw/zinc/19/60/23/208196023.db2.gz MIMZSVIJKWFSNB-RYUDHWBXSA-N 2 0 255.362 -0.096 20 0 CBADRP CC[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000431012543 208198418 /nfs/dbraw/zinc/19/84/18/208198418.db2.gz FYXDIQOJHGQDOH-NEPJUHHUSA-N 2 0 256.394 -0.277 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000431027490 208198628 /nfs/dbraw/zinc/19/86/28/208198628.db2.gz WPZMFUDFBVUKOZ-RTXFEEFZSA-N 2 0 267.373 -0.036 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)C[NH2+]CCOC)CC1 ZINC000431017929 208199003 /nfs/dbraw/zinc/19/90/03/208199003.db2.gz SSDWFWFRPRGFBA-UHFFFAOYSA-N 2 0 286.420 -0.634 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH3+])C[NH+]1CCN(C)CC1 ZINC000431015150 208199394 /nfs/dbraw/zinc/19/93/94/208199394.db2.gz NIWPSUUBLAJHJG-LBPRGKRZSA-N 2 0 256.394 -0.275 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)C2([NH3+])CC2)CC1 ZINC000431025026 208200320 /nfs/dbraw/zinc/20/03/20/208200320.db2.gz XFHUWNXGDLPPTG-LLVKDONJSA-N 2 0 254.378 -0.380 20 0 CBADRP C[C@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3C[NH2+]CCO3)CC2)CCO1 ZINC000431032343 208201847 /nfs/dbraw/zinc/20/18/47/208201847.db2.gz BLOBDRJHJIVLTN-JSGCOSHPSA-N 2 0 297.399 -0.314 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000431031216 208202978 /nfs/dbraw/zinc/20/29/78/208202978.db2.gz WLARMARWBTWFSK-QWHCGFSZSA-N 2 0 284.404 -0.883 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000432538062 208227754 /nfs/dbraw/zinc/22/77/54/208227754.db2.gz YIDQHYDOVLZPAK-OLZOCXBDSA-N 2 0 268.405 -0.262 20 0 CBADRP CCNC(=O)[C@@H](C)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433126037 208237623 /nfs/dbraw/zinc/23/76/23/208237623.db2.gz AYDMCRXYZKKJRZ-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP COC(=O)CCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433155917 208240063 /nfs/dbraw/zinc/24/00/63/208240063.db2.gz GOSXFHSYTPROGZ-UHFFFAOYSA-N 2 0 271.361 -0.131 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000435086265 208274090 /nfs/dbraw/zinc/27/40/90/208274090.db2.gz TVBJLFFONBJYRD-CQSZACIVSA-N 2 0 282.388 -0.734 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)CC[C@@H](C)[NH3+])CC1 ZINC000434670231 208264050 /nfs/dbraw/zinc/26/40/50/208264050.db2.gz AYJFGOMPUAIJKE-GFCCVEGCSA-N 2 0 256.394 -0.133 20 0 CBADRP C[C@H]([NH3+])CCC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000434692166 208264233 /nfs/dbraw/zinc/26/42/33/208264233.db2.gz WFVLSWIFXRJPIN-WDEREUQCSA-N 2 0 270.377 -0.430 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000434698204 208264438 /nfs/dbraw/zinc/26/44/38/208264438.db2.gz DDFHLMAJRGVRSW-UMNHJUIQSA-N 2 0 270.377 -0.705 20 0 CBADRP C[C@H]([NH3+])CCC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000434679120 208265118 /nfs/dbraw/zinc/26/51/18/208265118.db2.gz AYHBPWKIUMGNQW-NWDGAFQWSA-N 2 0 284.404 -0.183 20 0 CBADRP C[C@H](CNC(=O)CC[C@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000434676634 208266128 /nfs/dbraw/zinc/26/61/28/208266128.db2.gz SRJCMTKZQWQWOY-NWDGAFQWSA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)[C@H]1C ZINC000434711620 208267387 /nfs/dbraw/zinc/26/73/87/208267387.db2.gz QGMMCRWMZHYDFN-SRVKXCTJSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000434711621 208268618 /nfs/dbraw/zinc/26/86/18/208268618.db2.gz QGMMCRWMZHYDFN-TUAOUCFPSA-N 2 0 255.362 -0.036 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000447434497 208461461 /nfs/dbraw/zinc/46/14/61/208461461.db2.gz HCYGAZWMZXBXDV-CHWSQXEVSA-N 2 0 285.388 -0.469 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CO ZINC000448853461 285243700 /nfs/dbraw/zinc/24/37/00/285243700.db2.gz PJMKQLQPAYESQZ-GFCCVEGCSA-N 2 0 257.378 -0.147 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CC[NH3+])CC1=O ZINC000423998202 285253806 /nfs/dbraw/zinc/25/38/06/285253806.db2.gz AFJYDZJADKRKKN-QWHCGFSZSA-N 2 0 296.415 -0.264 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354674920 220877779 /nfs/dbraw/zinc/87/77/79/220877779.db2.gz MECONJIXNYKJSA-NWDGAFQWSA-N 2 0 284.404 -0.122 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419985139 285269329 /nfs/dbraw/zinc/26/93/29/285269329.db2.gz WLGMHARYVVYOAJ-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)C1 ZINC000655159636 413028676 /nfs/dbraw/zinc/02/86/76/413028676.db2.gz JTRBMXIRMNTOQJ-STQMWFEESA-N 2 0 296.415 -0.093 20 0 CBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)CC[NH2+]C)CC1 ZINC000357237106 285319963 /nfs/dbraw/zinc/31/99/63/285319963.db2.gz FELQGPNIIJVVPV-CYBMUJFWSA-N 2 0 270.421 -0.014 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCCNc1cc[nH+]cc1 ZINC000575056574 335059964 /nfs/dbraw/zinc/05/99/64/335059964.db2.gz GIOITAWUDYHIOQ-NSHDSACASA-N 2 0 280.328 -0.688 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000575057642 335060317 /nfs/dbraw/zinc/06/03/17/335060317.db2.gz FQGDHMZNLUFNCP-CYBMUJFWSA-N 2 0 280.416 -0.212 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000575058745 335060397 /nfs/dbraw/zinc/06/03/97/335060397.db2.gz SFKOBZBLVCKOJR-UTUOFQBUSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000575058744 335060519 /nfs/dbraw/zinc/06/05/19/335060519.db2.gz SFKOBZBLVCKOJR-IJLUTSLNSA-N 2 0 255.362 -0.001 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CNC(=O)C[NH3+])[C@H](C)C1 ZINC000347651336 285385150 /nfs/dbraw/zinc/38/51/50/285385150.db2.gz RHLMUSCRPYUWRH-MNOVXSKESA-N 2 0 270.377 -0.750 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000419777981 285588650 /nfs/dbraw/zinc/58/86/50/285588650.db2.gz KURIMRZJGRADPX-LLVKDONJSA-N 2 0 272.393 -0.441 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000419131784 285614161 /nfs/dbraw/zinc/61/41/61/285614161.db2.gz DJKWICGMLUPGAF-GHMZBOCLSA-N 2 0 272.393 -0.443 20 0 CBADRP O=C([C@@H]1CCC[NH2+]1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377524173 304330259 /nfs/dbraw/zinc/33/02/59/304330259.db2.gz MQWGGXRXCJCYDS-RYUDHWBXSA-N 2 0 252.362 -0.756 20 0 CBADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000178821539 304330604 /nfs/dbraw/zinc/33/06/04/304330604.db2.gz WKYQVIFDTFYNAL-STQMWFEESA-N 2 0 267.373 -0.081 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333893511 296579811 /nfs/dbraw/zinc/57/98/11/296579811.db2.gz YPQFNTQMDHENKS-RDBSUJKOSA-N 2 0 295.431 -0.327 20 0 CBADRP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)CCO1 ZINC000332421774 289216176 /nfs/dbraw/zinc/21/61/76/289216176.db2.gz CMTLWNZSJOARGQ-RYUDHWBXSA-N 2 0 255.362 -0.097 20 0 CBADRP CN(C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)[C@H]1CC[NH2+]C1 ZINC000576753822 335243300 /nfs/dbraw/zinc/24/33/00/335243300.db2.gz ZKRLGBZGAHFYKA-UWVGGRQHSA-N 2 0 263.345 -0.080 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000354722130 289369150 /nfs/dbraw/zinc/36/91/50/289369150.db2.gz WTCBQUAZMPTNHY-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP COCCCNC(=O)C1CC[NH+](CCOCC[NH3+])CC1 ZINC000357077902 292355881 /nfs/dbraw/zinc/35/58/81/292355881.db2.gz LGHQFKVNRAYCNF-UHFFFAOYSA-N 2 0 287.404 -0.174 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000420027333 286825836 /nfs/dbraw/zinc/82/58/36/286825836.db2.gz KVHCWFZCYJMPLF-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419431717 286830193 /nfs/dbraw/zinc/83/01/93/286830193.db2.gz XRYKBJSJHUQPBW-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)C[NH+]1CCCC1 ZINC000419816425 298679770 /nfs/dbraw/zinc/67/97/70/298679770.db2.gz IDDZBBJYCVUKEL-CHWSQXEVSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)NC(N)=O)CC[NH2+]CC2 ZINC000331632757 287236979 /nfs/dbraw/zinc/23/69/79/287236979.db2.gz MADOBMSSRIMVDC-SECBINFHSA-N 2 0 254.334 -0.355 20 0 CBADRP COCC[NH2+]CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000368617140 292558591 /nfs/dbraw/zinc/55/85/91/292558591.db2.gz YLYOFDNVZHXWMF-QJPTWQEYSA-N 2 0 255.362 -0.192 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000377582299 292558635 /nfs/dbraw/zinc/55/86/35/292558635.db2.gz DEIVDAVYQYCRJV-CYBMUJFWSA-N 2 0 255.362 -0.176 20 0 CBADRP CC[NH+](CC)CCCNC(=O)CN1CC[NH2+]CC1 ZINC000020521303 171234306 /nfs/dbraw/zinc/23/43/06/171234306.db2.gz YPIFMJMGXJJGQB-UHFFFAOYSA-N 2 0 256.394 -0.260 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000372902879 292563226 /nfs/dbraw/zinc/56/32/26/292563226.db2.gz JFJDXYWHGCJSCU-TYNCELHUSA-N 2 0 299.415 -0.129 20 0 CBADRP CC(C)[C@@H](C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[C@H](C)[NH3+] ZINC000662750122 413990909 /nfs/dbraw/zinc/99/09/09/413990909.db2.gz PWDAPROYDRSEFF-QPUJVOFHSA-N 2 0 281.360 -0.124 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662753714 413992040 /nfs/dbraw/zinc/99/20/40/413992040.db2.gz VGAJRENBIAURMR-SNVBAGLBSA-N 2 0 279.344 -0.259 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)COC2CC[NH2+]CC2)CC[C@H]1F ZINC000662749687 413993481 /nfs/dbraw/zinc/99/34/81/413993481.db2.gz NZAYTAYZUNWXFA-GHMZBOCLSA-N 2 0 259.325 -0.347 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662750967 413993846 /nfs/dbraw/zinc/99/38/46/413993846.db2.gz WPOFKBQZGXDMIX-FRRDWIJNSA-N 2 0 287.404 -0.177 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC[C@H]1F ZINC000662748262 413994399 /nfs/dbraw/zinc/99/43/99/413994399.db2.gz NUPLWUXMCUQABG-OPRDCNLKSA-N 2 0 281.335 -0.002 20 0 CBADRP C[N@H+](CCC(=O)NC(N)=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747002 174391984 /nfs/dbraw/zinc/39/19/84/174391984.db2.gz YOZWWZFFVVXBKB-ULKQDVFKSA-N 2 0 254.334 -0.214 20 0 CBADRP C(CN1CC[NH+](CC2CC2)CC1)N1CC[NH2+]CC1 ZINC000042317857 174683228 /nfs/dbraw/zinc/68/32/28/174683228.db2.gz BSZGLCZCEHFYEW-UHFFFAOYSA-N 2 0 252.406 -0.081 20 0 CBADRP O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1C[NH2+]CCO1 ZINC000043709079 175102168 /nfs/dbraw/zinc/10/21/68/175102168.db2.gz URABWZYVORWXDS-LBPRGKRZSA-N 2 0 253.346 -0.282 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000043800802 175107095 /nfs/dbraw/zinc/10/70/95/175107095.db2.gz IHKKUUNSMRXLSC-LBPRGKRZSA-N 2 0 255.362 -0.035 20 0 CBADRP C[N@H+](CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)C1CCCC1 ZINC000071378681 176143691 /nfs/dbraw/zinc/14/36/91/176143691.db2.gz KFZMHIFNSOASKG-RYUDHWBXSA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@@H](C(N)=O)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000076682735 177059547 /nfs/dbraw/zinc/05/95/47/177059547.db2.gz NCZJPWXCJQLOSL-NSHDSACASA-N 2 0 255.362 -0.096 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000331370148 228095755 /nfs/dbraw/zinc/09/57/55/228095755.db2.gz CXYDVNBEOXTAGB-NQBHXWOUSA-N 2 0 294.399 -0.465 20 0 CBADRP C[C@H](CNC(=O)[C@H](C)[NH+](C)C)N(C)C(=O)[C@H](C)[NH+](C)C ZINC000078736940 544426335 /nfs/dbraw/zinc/42/63/35/544426335.db2.gz PNEUDLFEVGTLRS-WOPDTQHZSA-N 2 0 286.420 -0.150 20 0 CBADRP C[C@H](CNC(=O)c1cn(CC[NH3+])nn1)C[NH+]1CCCC1 ZINC000089709116 544438211 /nfs/dbraw/zinc/43/82/11/544438211.db2.gz WPECIYMXMMCZRT-LLVKDONJSA-N 2 0 280.376 -0.302 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000091392630 544439257 /nfs/dbraw/zinc/43/92/57/544439257.db2.gz IAAACBJRQCAVQR-LBPRGKRZSA-N 2 0 254.378 -0.556 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000092955650 544440863 /nfs/dbraw/zinc/44/08/63/544440863.db2.gz GTEJOTJXJKMDJJ-QWHCGFSZSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@@H]1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)[C@@H](C[NH3+])C1 ZINC000418769571 287533213 /nfs/dbraw/zinc/53/32/13/287533213.db2.gz PXPYXOHESCUDPK-IJLUTSLNSA-N 2 0 270.377 -0.256 20 0 CBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000226999797 544492865 /nfs/dbraw/zinc/49/28/65/544492865.db2.gz CJKWUIOLBDGFKV-YNEHKIRRSA-N 2 0 267.373 -0.204 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCO3)CC[C@H]21 ZINC000227333159 544494940 /nfs/dbraw/zinc/49/49/40/544494940.db2.gz JBXUQKHZQSYAQT-UPJWGTAASA-N 2 0 267.373 -0.083 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)COCC[NH3+])CC[C@@H]21 ZINC000167531141 544478488 /nfs/dbraw/zinc/47/84/88/544478488.db2.gz XYPSQKZXBJHBHO-RYUDHWBXSA-N 2 0 255.362 -0.096 20 0 CBADRP C[C@]1(C(N)=O)CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000235739601 544504620 /nfs/dbraw/zinc/50/46/20/544504620.db2.gz ASSBZRLEVKEBHP-ZDUSSCGKSA-N 2 0 268.361 -0.994 20 0 CBADRP CC[NH+]1CCN(CC(=O)NCC[NH2+]C2CC2)CC1 ZINC000236871521 544506502 /nfs/dbraw/zinc/50/65/02/544506502.db2.gz HZRBBHUTMWKWFZ-UHFFFAOYSA-N 2 0 254.378 -0.508 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2CCCC[NH2+]2)CC1=O ZINC000237162294 544508396 /nfs/dbraw/zinc/50/83/96/544508396.db2.gz HIPOILFMJFCVFN-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[NH+](C)C ZINC000237610598 544509456 /nfs/dbraw/zinc/50/94/56/544509456.db2.gz ZZTFIZKVZMOCGZ-QWRGUYRKSA-N 2 0 270.377 -0.750 20 0 CBADRP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)CN1CCOCC1 ZINC000250987909 544514245 /nfs/dbraw/zinc/51/42/45/544514245.db2.gz CBQJMKPFAQIDAY-SOUVJXGZSA-N 2 0 283.416 -0.104 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000262210381 544518755 /nfs/dbraw/zinc/51/87/55/544518755.db2.gz SYWDEELWKYJZMW-LOWVWBTDSA-N 2 0 284.404 -0.328 20 0 CBADRP Cc1nc(N)nc(N2CCN(CCO)C[C@@H]2C)n1 ZINC000631305259 419478249 /nfs/dbraw/zinc/47/82/49/419478249.db2.gz SKADKXFZUVUXMG-QMMMGPOBSA-N 2 0 252.322 -0.735 20 0 CBADRP CN(CC1C[NH+](C)C1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000661233638 419479438 /nfs/dbraw/zinc/47/94/38/419479438.db2.gz BHGRCXULMGZUFR-UHFFFAOYSA-N 2 0 284.404 -0.088 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CN1CCCCC1=O ZINC000103212361 419480480 /nfs/dbraw/zinc/48/04/80/419480480.db2.gz XOYNIZOFPUFGKH-UHFFFAOYSA-N 2 0 298.431 -0.049 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCn1cncn1 ZINC000103210781 419480571 /nfs/dbraw/zinc/48/05/71/419480571.db2.gz RPSWUTOIJLENHK-UHFFFAOYSA-N 2 0 282.392 -0.380 20 0 CBADRP C[N@H+](CCC[NH3+])CCOc1ccc(S(N)(=O)=O)cc1 ZINC000123285847 419491186 /nfs/dbraw/zinc/49/11/86/419491186.db2.gz IAYIAFALPYPBPV-UHFFFAOYSA-N 2 0 287.385 -0.007 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC000044538852 419427794 /nfs/dbraw/zinc/42/77/94/419427794.db2.gz ISNSCRMVMSEQAU-GFCCVEGCSA-N 2 0 254.378 -0.650 20 0 CBADRP C[NH2+]CCC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000043605815 419428473 /nfs/dbraw/zinc/42/84/73/419428473.db2.gz BSWLMZAJLFMTTL-ZDUSSCGKSA-N 2 0 270.421 -0.016 20 0 CBADRP C[N@H+](CCN1C(=O)NC(C)(C)C1=O)CCN1CC[NH2+]CC1 ZINC000071150328 419464455 /nfs/dbraw/zinc/46/44/55/419464455.db2.gz CJYCXKLCMTZWHE-UHFFFAOYSA-N 2 0 297.403 -0.846 20 0 CBADRP CCN(C)C[C@@H](O)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661138434 419471910 /nfs/dbraw/zinc/47/19/10/419471910.db2.gz BIQQGEGCAPZZAH-CHWSQXEVSA-N 2 0 267.377 -0.087 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000126232556 419493959 /nfs/dbraw/zinc/49/39/59/419493959.db2.gz ISWKAIUSKPKGGJ-PWSUYJOCSA-N 2 0 270.377 -0.704 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000638088761 419526928 /nfs/dbraw/zinc/52/69/28/419526928.db2.gz JPYHTXWHOWFQIH-RISCZKNCSA-N 2 0 295.387 0.150 20 0 CBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394374194 544578623 /nfs/dbraw/zinc/57/86/23/544578623.db2.gz RXUHDJJUNFUHNP-UPJWGTAASA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCN(C)CC2)[C@@H]1CO ZINC000189730670 419535000 /nfs/dbraw/zinc/53/50/00/419535000.db2.gz NCKSLHSWKAJBSL-VXGBXAGGSA-N 2 0 255.362 -0.537 20 0 CBADRP COC(=O)CNC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000193434095 419544673 /nfs/dbraw/zinc/54/46/73/419544673.db2.gz FWCGBGJCOAMMKA-UHFFFAOYSA-N 2 0 285.388 -0.061 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H]2CNCCO2)CC1 ZINC000662273286 419568306 /nfs/dbraw/zinc/56/83/06/419568306.db2.gz LCBINJGKOUXFRE-MJBXVCDLSA-N 2 0 269.389 -0.197 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C ZINC000662261312 419568417 /nfs/dbraw/zinc/56/84/17/419568417.db2.gz HLDWFOACYGJWJI-RDBSUJKOSA-N 2 0 283.416 -0.106 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662242026 419557614 /nfs/dbraw/zinc/55/76/14/419557614.db2.gz AQRATRKZHQWSBT-QWHCGFSZSA-N 3 0 296.415 -0.706 20 0 CBADRP CCNC(=O)C[N@H+](CC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251531 419560731 /nfs/dbraw/zinc/56/07/31/419560731.db2.gz GNISQCBIFGNSHI-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000389758298 544577634 /nfs/dbraw/zinc/57/76/34/544577634.db2.gz SAJSAWKQLXEOGF-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP CNC(=O)[C@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662256738 419563691 /nfs/dbraw/zinc/56/36/91/419563691.db2.gz YKIMSOXGUQRYRV-NWDGAFQWSA-N 2 0 267.373 -0.035 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000220015483 419564884 /nfs/dbraw/zinc/56/48/84/419564884.db2.gz HGZKNMCKYHPQNK-UHFFFAOYSA-N 2 0 268.365 -0.302 20 0 CBADRP O=C(CC[C@H]1CC[NH2+]C1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394377588 544578258 /nfs/dbraw/zinc/57/82/58/544578258.db2.gz DMIDEXCTFSWMSD-KBPBESRZSA-N 2 0 280.416 -0.118 20 0 CBADRP CC[NH+](CC(=O)NCC[N@H+](CC)CCO)C1CC1 ZINC000183916299 419515567 /nfs/dbraw/zinc/51/55/67/419515567.db2.gz ZLCLXGGEMRJJPZ-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@H]1C[NH2+]CCC1(F)F ZINC000647679527 419632081 /nfs/dbraw/zinc/63/20/81/419632081.db2.gz LISIUQQIXWDCNY-SNVBAGLBSA-N 2 0 276.331 -0.747 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)CCC(C)(C)[NH3+] ZINC000647687586 419634043 /nfs/dbraw/zinc/63/40/43/419634043.db2.gz XOCHUQKWRIWIFW-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP [NH3+][C@@H](CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)C1CC1 ZINC000662550104 419637070 /nfs/dbraw/zinc/63/70/70/419637070.db2.gz AKKZWPLUSFHZRD-ONGXEEELSA-N 2 0 263.345 -0.046 20 0 CBADRP COCC[NH+]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662260409 419570134 /nfs/dbraw/zinc/57/01/34/419570134.db2.gz KYNYIVDXZUWZOB-ZDUSSCGKSA-N 2 0 269.389 -0.229 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1C ZINC000662261310 419570274 /nfs/dbraw/zinc/57/02/74/419570274.db2.gz HLDWFOACYGJWJI-IHRRRGAJSA-N 2 0 283.416 -0.106 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@](C)(C[NH3+])C2CC2)CC1 ZINC000236872676 419570358 /nfs/dbraw/zinc/57/03/58/419570358.db2.gz OMMIXMYOJBATJZ-AWEZNQCLSA-N 2 0 268.405 -0.133 20 0 CBADRP O=C(CNC1(CO)CC[NH2+]CC1)NCC1CCC1 ZINC000662285967 419571134 /nfs/dbraw/zinc/57/11/34/419571134.db2.gz COCMHYKTPFEESZ-UHFFFAOYSA-N 2 0 255.362 -0.393 20 0 CBADRP CC(C)(C)[C@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000236689559 419571814 /nfs/dbraw/zinc/57/18/14/419571814.db2.gz PXQKSXPEUGLICT-LLVKDONJSA-N 2 0 256.394 -0.229 20 0 CBADRP C[N@H+](CCN1CCOCC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662277124 419572056 /nfs/dbraw/zinc/57/20/56/419572056.db2.gz OBBBTYSSXIENJI-CYBMUJFWSA-N 2 0 269.389 -0.229 20 0 CBADRP NS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662277823 419572085 /nfs/dbraw/zinc/57/20/85/419572085.db2.gz UMWCFVGHIQNVMM-QWRGUYRKSA-N 2 0 289.401 -0.740 20 0 CBADRP CC[C@H]([NH3+])C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000236905077 419572297 /nfs/dbraw/zinc/57/22/97/419572297.db2.gz KUBPXRXSBWEEDC-NEPJUHHUSA-N 2 0 257.378 -0.067 20 0 CBADRP COC[C@H](C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)OC ZINC000662275978 419573102 /nfs/dbraw/zinc/57/31/02/419573102.db2.gz GJIAXWUDOHUWEB-STQMWFEESA-N 2 0 257.378 -0.373 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000236872577 419574154 /nfs/dbraw/zinc/57/41/54/419574154.db2.gz LCHIYFKJMGMPFN-CHWSQXEVSA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH+](C)C1(CNC(=O)C[NH2+]C[C@@H]2CCCO2)CCOCC1 ZINC000237080874 419576979 /nfs/dbraw/zinc/57/69/79/419576979.db2.gz ZHZRRQCKEYLPHB-ZDUSSCGKSA-N 2 0 299.415 -0.018 20 0 CBADRP C[NH+](C)C1(CNC(=O)C[NH2+]C[C@H]2CCCO2)CCOCC1 ZINC000237080901 419578556 /nfs/dbraw/zinc/57/85/56/419578556.db2.gz ZHZRRQCKEYLPHB-CYBMUJFWSA-N 2 0 299.415 -0.018 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000394382405 544581347 /nfs/dbraw/zinc/58/13/47/544581347.db2.gz VZLAVGKDXDJTEN-MGPQQGTHSA-N 2 0 280.416 -0.119 20 0 CBADRP CC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662298291 419580604 /nfs/dbraw/zinc/58/06/04/419580604.db2.gz BDCNIMQNUWCLKC-NEPJUHHUSA-N 2 0 253.346 -0.282 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662324680 419582849 /nfs/dbraw/zinc/58/28/49/419582849.db2.gz AMLWSCGPGLDLQY-CHWSQXEVSA-N 2 0 286.395 -0.042 20 0 CBADRP C(C[N@H+](CCN1CCOCC1)CC1CC1)N1CC[NH2+]CC1 ZINC000662314307 419583319 /nfs/dbraw/zinc/58/33/19/419583319.db2.gz DSQUNZXNYUGFKS-UHFFFAOYSA-N 2 0 296.459 -0.064 20 0 CBADRP CN1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCC1=O ZINC000662317625 419585268 /nfs/dbraw/zinc/58/52/68/419585268.db2.gz YEUNJDBZVOIVGM-LLVKDONJSA-N 2 0 253.346 -0.329 20 0 CBADRP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)C[C@H]21 ZINC000662315653 419586806 /nfs/dbraw/zinc/58/68/06/419586806.db2.gz ROHYTFZNPGOXLJ-RVMXOQNASA-N 2 0 288.413 -0.270 20 0 CBADRP O=C(CC[N@@H+]1CC[C@H]2COC[C@H]2C1)N1CC[NH2+]CC1 ZINC000662317504 419587058 /nfs/dbraw/zinc/58/70/58/419587058.db2.gz QIJYUBAUMNKXLU-QWHCGFSZSA-N 2 0 267.373 -0.223 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)CCCC[NH3+])n1 ZINC000646428469 419587120 /nfs/dbraw/zinc/58/71/20/419587120.db2.gz VTUBDJUPWFGYKF-UHFFFAOYSA-N 2 0 253.350 0.512 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000662561167 419639531 /nfs/dbraw/zinc/63/95/31/419639531.db2.gz PQXPFEHUPNZUOF-VHSXEESVSA-N 2 0 296.337 -0.063 20 0 CBADRP C[C@@]1(C(N)=O)CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662314320 419587311 /nfs/dbraw/zinc/58/73/11/419587311.db2.gz DVPHOPQOMHBKAK-CMPLNLGQSA-N 2 0 253.346 -0.295 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662340791 419589595 /nfs/dbraw/zinc/58/95/95/419589595.db2.gz ISKOPHVXMSSOIX-MNOVXSKESA-N 2 0 268.361 -0.996 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](CN2CCC[C@H]([NH3+])C2)C1 ZINC000647482259 419591526 /nfs/dbraw/zinc/59/15/26/419591526.db2.gz RFXWWTOYCUAWOB-NEPJUHHUSA-N 2 0 254.378 -0.393 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662395267 419593110 /nfs/dbraw/zinc/59/31/10/419593110.db2.gz KTEPUMJIXFOWJV-NXEZZACHSA-N 2 0 263.345 -0.032 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)NCCNc1cc[nH+]cc1 ZINC000662395770 419593754 /nfs/dbraw/zinc/59/37/54/419593754.db2.gz YMCRBBHOIVODMG-LBPRGKRZSA-N 2 0 266.345 -0.216 20 0 CBADRP CC(C)[NH2+]CC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662400894 419595091 /nfs/dbraw/zinc/59/50/91/419595091.db2.gz GEJKBCJGRXLQDH-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@@](CO)(OC)C1 ZINC000401813907 544586222 /nfs/dbraw/zinc/58/62/22/544586222.db2.gz WESZBTBGXFYXEF-CHWSQXEVSA-N 2 0 260.378 -0.228 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662405921 419595520 /nfs/dbraw/zinc/59/55/20/419595520.db2.gz SFCDIKWFVNPCMS-TUAOUCFPSA-N 2 0 282.388 -0.573 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000250370872 419596220 /nfs/dbraw/zinc/59/62/20/419596220.db2.gz IPQWFXDSZWYVLU-QWHCGFSZSA-N 2 0 268.405 -0.119 20 0 CBADRP [NH3+]C1(C(=O)NCCN2CC[NH2+]CC2)CC2(CCC2)C1 ZINC000662400328 419596094 /nfs/dbraw/zinc/59/60/94/419596094.db2.gz RWWRMGYYLVIICS-UHFFFAOYSA-N 2 0 266.389 -0.331 20 0 CBADRP O=C1CCCN1C[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000647517593 419596614 /nfs/dbraw/zinc/59/66/14/419596614.db2.gz ZDDZHXTVRGEKEB-STQMWFEESA-N 2 0 285.388 -0.984 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662412712 419599236 /nfs/dbraw/zinc/59/92/36/419599236.db2.gz SRWULSWDRHRBQU-ZJUUUORDSA-N 2 0 263.345 -0.032 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])COC(C)C)CC1 ZINC000662413437 419599930 /nfs/dbraw/zinc/59/99/30/419599930.db2.gz XRKBOISSACXFPR-ZDUSSCGKSA-N 2 0 287.404 -0.034 20 0 CBADRP [NH3+]CCn1cc(C(=O)NC[C@H]([NH3+])c2ccccc2)nn1 ZINC000662414227 419600528 /nfs/dbraw/zinc/60/05/28/419600528.db2.gz WUHXQXVOLFISTL-NSHDSACASA-N 2 0 274.328 -0.333 20 0 CBADRP CC1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C[NH2+]C1 ZINC000399457338 544584006 /nfs/dbraw/zinc/58/40/06/544584006.db2.gz ISLBFXNHHUYGOZ-NSHDSACASA-N 2 0 252.362 -0.898 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(CO)CCC2)CC1 ZINC000647523291 419603323 /nfs/dbraw/zinc/60/33/23/419603323.db2.gz GIDVHPHTYIHPKJ-ZDUSSCGKSA-N 2 0 271.405 -0.653 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000647542309 419605225 /nfs/dbraw/zinc/60/52/25/419605225.db2.gz OGUBTHNPDAYHLJ-RDBSUJKOSA-N 3 0 280.416 -0.133 20 0 CBADRP CC(C)[NH2+]CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000662437398 419605620 /nfs/dbraw/zinc/60/56/20/419605620.db2.gz DISSWVRSGZJZAV-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP [NH3+][C@@H](C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)C1CCC1 ZINC000399074255 544584357 /nfs/dbraw/zinc/58/43/57/544584357.db2.gz OUSZZTOXHXDZNO-CHWSQXEVSA-N 2 0 266.389 -0.380 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H](O)C2CCC2)CC1 ZINC000647537074 419607954 /nfs/dbraw/zinc/60/79/54/419607954.db2.gz OKPSTHYXLFNBSN-UONOGXRCSA-N 2 0 271.405 -0.655 20 0 CBADRP Nc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cn1 ZINC000647541132 419608008 /nfs/dbraw/zinc/60/80/08/419608008.db2.gz AHZIMJVOFZZDIK-CYBMUJFWSA-N 2 0 261.373 0.143 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CCC[C@H]2O)CC1 ZINC000647537315 419608423 /nfs/dbraw/zinc/60/84/23/419608423.db2.gz UYVBGCBQUGLZEL-MELADBBJSA-N 2 0 271.405 -0.655 20 0 CBADRP CCCN(C(=O)C(=O)N(C)CC[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000647568563 419609707 /nfs/dbraw/zinc/60/97/07/419609707.db2.gz OKYKOMUBQUHPKO-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000662449917 419610169 /nfs/dbraw/zinc/61/01/69/419610169.db2.gz YSLXQOPRZYHJKE-RYUDHWBXSA-N 2 0 256.394 -0.264 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000662462106 419612516 /nfs/dbraw/zinc/61/25/16/419612516.db2.gz GVXPULUFUSIWQT-KBPBESRZSA-N 2 0 298.431 -0.493 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000662462108 419614373 /nfs/dbraw/zinc/61/43/73/419614373.db2.gz GVXPULUFUSIWQT-UONOGXRCSA-N 2 0 298.431 -0.493 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000311081372 419618276 /nfs/dbraw/zinc/61/82/76/419618276.db2.gz WTVUJEPCHIKXAI-FRRDWIJNSA-N 2 0 257.378 -0.923 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]([NH3+])COC(C)C ZINC000662560073 419640599 /nfs/dbraw/zinc/64/05/99/419640599.db2.gz GHUYLGMMSAKFCK-DCAQKATOSA-N 2 0 261.341 -0.103 20 0 CBADRP COC1(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC[NH2+]CC1 ZINC000310954872 419621411 /nfs/dbraw/zinc/62/14/11/419621411.db2.gz BYZNTEFSBJMVBN-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000662497455 419621394 /nfs/dbraw/zinc/62/13/94/419621394.db2.gz JNOQLNWOBVLWOE-GXSJLCMTSA-N 2 0 278.360 -0.551 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000647606007 419623127 /nfs/dbraw/zinc/62/31/27/419623127.db2.gz XEPJKSASDUUOIR-AAEUAGOBSA-N 2 0 284.404 -0.456 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)O1 ZINC000662514018 419624933 /nfs/dbraw/zinc/62/49/33/419624933.db2.gz JHQHJSXLPKNEAP-MROQNXINSA-N 2 0 267.373 -0.084 20 0 CBADRP C[C@@H](NC(=O)C[NH+](C)C)[C@@H](C)NC(=O)C[NH+](C)C ZINC000647619570 419628071 /nfs/dbraw/zinc/62/80/71/419628071.db2.gz PSKORCLLYJCVII-NXEZZACHSA-N 2 0 258.366 -0.881 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000662516791 419628560 /nfs/dbraw/zinc/62/85/60/419628560.db2.gz GNXSCPXTEYSUKP-NEPJUHHUSA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@H]1CN(C(=O)c2cn(CC[NH3+])nn2)[C@@H](C)C[NH2+]1 ZINC000662514188 419629270 /nfs/dbraw/zinc/62/92/70/419629270.db2.gz LDKKOUPKBFUWTH-IUCAKERBSA-N 2 0 252.322 -0.941 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662518725 419630146 /nfs/dbraw/zinc/63/01/46/419630146.db2.gz JJLBIRANCPDLRU-GRYCIOLGSA-N 2 0 255.362 -0.051 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000662525553 419630157 /nfs/dbraw/zinc/63/01/57/419630157.db2.gz IDDVRQPJNMEGSY-LBPRGKRZSA-N 2 0 257.378 -0.053 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000662524892 419631663 /nfs/dbraw/zinc/63/16/63/419631663.db2.gz CCHCJCGRXNOKHB-ZDUSSCGKSA-N 2 0 287.404 -0.298 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)COC2(C)C[NH2+]C2)C1 ZINC000647818210 419661379 /nfs/dbraw/zinc/66/13/79/419661379.db2.gz CTEBZNCEUVJFDM-WDEREUQCSA-N 2 0 255.362 -0.049 20 0 CBADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)N[C@H]2CC[NH2+]C2)C1(C)C ZINC000662640053 419663554 /nfs/dbraw/zinc/66/35/54/419663554.db2.gz LPCZAFWPOFAKNT-OUJBWJOFSA-N 2 0 255.362 -0.003 20 0 CBADRP C[N@H+](CCN1CCCC1=O)CCN1CC[NH2+]CC1 ZINC000647835968 419665055 /nfs/dbraw/zinc/66/50/55/419665055.db2.gz WVILATAAEKZRGO-UHFFFAOYSA-N 2 0 254.378 -0.554 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000647828571 419666236 /nfs/dbraw/zinc/66/62/36/419666236.db2.gz MVTHAJUBIFQYBU-KGLIPLIRSA-N 2 0 299.415 -0.031 20 0 CBADRP C[C@@H]1CN(CC[N@H+](C)CCN2CC[NH2+]CC2)CCO1 ZINC000647836184 419668712 /nfs/dbraw/zinc/66/87/12/419668712.db2.gz JMTOCHZJQKNXRG-CQSZACIVSA-N 2 0 270.421 -0.456 20 0 CBADRP CC1(C)C[NH2+]CCN1C(=O)COC1CC[NH2+]CC1 ZINC000647841320 419669401 /nfs/dbraw/zinc/66/94/01/419669401.db2.gz KAYAOVUSRFXKSV-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP CC1(C)C[NH2+]CCN1CCC(=O)N1CC[NH2+]CC1 ZINC000647852005 419673111 /nfs/dbraw/zinc/67/31/11/419673111.db2.gz HAHXFWKYONBCPZ-UHFFFAOYSA-N 2 0 254.378 -0.508 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662662098 419673702 /nfs/dbraw/zinc/67/37/02/419673702.db2.gz ZHTRIPDFOQEYJL-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)C1(O)C[NH2+]C1)C1CCCCC1 ZINC000662678582 419676670 /nfs/dbraw/zinc/67/66/70/419676670.db2.gz GTSGXIXVIDXLET-LBPRGKRZSA-N 2 0 269.389 -0.053 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000662671596 419677945 /nfs/dbraw/zinc/67/79/45/419677945.db2.gz OKEYWIHZJWSDIQ-RYUDHWBXSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CCO1 ZINC000647876976 419679903 /nfs/dbraw/zinc/67/99/03/419679903.db2.gz FNRRZJPQSFVYRF-GUBZILKMSA-N 2 0 277.315 -0.194 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)c2c[nH+]ccc2N)CCO1 ZINC000647876939 419680107 /nfs/dbraw/zinc/68/01/07/419680107.db2.gz DLRYYKUWGIMFMA-LDYMZIIASA-N 2 0 250.302 -0.318 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CCO1 ZINC000647876977 419680423 /nfs/dbraw/zinc/68/04/23/419680423.db2.gz FNRRZJPQSFVYRF-IVZWLZJFSA-N 2 0 277.315 -0.194 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662682321 419680754 /nfs/dbraw/zinc/68/07/54/419680754.db2.gz RJZRLRGGGHAZEY-GRYCIOLGSA-N 2 0 255.362 -0.192 20 0 CBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000662683681 419682376 /nfs/dbraw/zinc/68/23/76/419682376.db2.gz QYZASMOJTJUJBA-QWHCGFSZSA-N 2 0 285.388 -0.421 20 0 CBADRP C[C@@H]1CCC[C@@](CNC(=O)C2(O)C[NH2+]C2)([NH+](C)C)C1 ZINC000662693762 419686753 /nfs/dbraw/zinc/68/67/53/419686753.db2.gz XRILZHLKTMNUHD-DGCLKSJQSA-N 2 0 269.389 -0.053 20 0 CBADRP O=C(CC[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC000647891527 419686918 /nfs/dbraw/zinc/68/69/18/419686918.db2.gz MIAZKCOJKWLESF-KBPBESRZSA-N 2 0 297.399 -0.312 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC000662699512 419688288 /nfs/dbraw/zinc/68/82/88/419688288.db2.gz BOPSGZGWUWUPPN-UTUOFQBUSA-N 2 0 255.362 -0.192 20 0 CBADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@]2(O)CCOC2)CC1 ZINC000647909465 419689196 /nfs/dbraw/zinc/68/91/96/419689196.db2.gz PJYLUKNZFGITLO-CQSZACIVSA-N 2 0 272.389 -0.037 20 0 CBADRP CO[C@@H]1CCN(CCC(=O)N2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000647907028 419689232 /nfs/dbraw/zinc/68/92/32/419689232.db2.gz ZSEPPLBSIDYLLF-QWHCGFSZSA-N 3 0 284.404 -0.754 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)nn1 ZINC000662698047 419691474 /nfs/dbraw/zinc/69/14/74/419691474.db2.gz NJOIAZDFFBHYDL-GFCCVEGCSA-N 2 0 292.387 -0.063 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662703211 419692982 /nfs/dbraw/zinc/69/29/82/419692982.db2.gz GWIIYLCXHRHSSU-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662705811 419694764 /nfs/dbraw/zinc/69/47/64/419694764.db2.gz QUSLDYJRPYLVNA-IJLUTSLNSA-N 2 0 282.388 -0.573 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662713835 419696944 /nfs/dbraw/zinc/69/69/44/419696944.db2.gz ZJPYZFQJOVCEKR-IJLUTSLNSA-N 2 0 255.362 -0.097 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662715333 419699499 /nfs/dbraw/zinc/69/94/99/419699499.db2.gz HEULSJDDJXISGV-OPASDULOSA-N 2 0 275.356 -0.032 20 0 CBADRP O=C1NC[C@H]2C[N@H+](CCCC3CC[NH2+]CC3)CCN2C1=O ZINC000647990919 419703251 /nfs/dbraw/zinc/70/32/51/419703251.db2.gz VENUJLMOKHQXAZ-ZDUSSCGKSA-N 2 0 294.399 -0.591 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000662719495 419704129 /nfs/dbraw/zinc/70/41/29/419704129.db2.gz DFYIUVHJIPFPES-UPJWGTAASA-N 2 0 267.373 -0.049 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662731865 419705802 /nfs/dbraw/zinc/70/58/02/419705802.db2.gz JLVYIATXUXXMOD-LOWVWBTDSA-N 2 0 255.362 -0.288 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000662730720 419706270 /nfs/dbraw/zinc/70/62/70/419706270.db2.gz NLFBNVPBQCECIR-SNVBAGLBSA-N 2 0 268.365 -0.270 20 0 CBADRP O=C(N1CC[C@H](C[NH+]2CCCC2)C1)C1(O)C[NH2+]C1 ZINC000662743506 419707963 /nfs/dbraw/zinc/70/79/63/419707963.db2.gz NZQRBHQNYGHSOP-LLVKDONJSA-N 2 0 253.346 -0.735 20 0 CBADRP C[C@@H](CNC(=O)CC1([NH3+])CC1)C[NH+]1CCN(C)CC1 ZINC000662755969 419710526 /nfs/dbraw/zinc/71/05/26/419710526.db2.gz FHNUXYILCGUYMG-LBPRGKRZSA-N 2 0 268.405 -0.133 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662566199 419643926 /nfs/dbraw/zinc/64/39/26/419643926.db2.gz TYQHCDROJNZKPX-GUBZILKMSA-N 2 0 281.335 -0.084 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)CC1CC[NH2+]CC1 ZINC000647770024 419650897 /nfs/dbraw/zinc/65/08/97/419650897.db2.gz UJCTUWXUPRUOJW-UHFFFAOYSA-N 2 0 268.405 -0.260 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)C1(C[NH3+])CCCC1 ZINC000647769567 419650934 /nfs/dbraw/zinc/65/09/34/419650934.db2.gz ADYIJQMUJSQLAD-UHFFFAOYSA-N 2 0 268.405 -0.131 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000662622846 419654521 /nfs/dbraw/zinc/65/45/21/419654521.db2.gz UUVLCVVVONORKF-MNOVXSKESA-N 2 0 255.362 -0.036 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000647777653 419655046 /nfs/dbraw/zinc/65/50/46/419655046.db2.gz VHRATIFYMRJYGX-JSGCOSHPSA-N 2 0 266.389 -0.650 20 0 CBADRP O=C(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CC[NH2+]CC1 ZINC000647799727 419656536 /nfs/dbraw/zinc/65/65/36/419656536.db2.gz PGCAJXZZONCFFS-RWMBFGLXSA-N 3 0 266.389 -0.604 20 0 CBADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000404904770 544588703 /nfs/dbraw/zinc/58/87/03/544588703.db2.gz FHTGAPGCFSFNNI-NSHDSACASA-N 2 0 280.376 -0.207 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000662632673 419657369 /nfs/dbraw/zinc/65/73/69/419657369.db2.gz SPCUDDMFWNXCJW-ZDUSSCGKSA-N 2 0 286.420 -0.635 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662633516 419658384 /nfs/dbraw/zinc/65/83/84/419658384.db2.gz LWLCQFNNSPDYMZ-LBPRGKRZSA-N 2 0 256.394 -0.262 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)NCCN(C)CCC[NH+](C)C ZINC000662630594 419659281 /nfs/dbraw/zinc/65/92/81/419659281.db2.gz FZNKIVPESFTGII-RYUDHWBXSA-N 2 0 258.410 -0.031 20 0 CBADRP O=C(NC1CC[NH+](Cc2cccnc2)CC1)C1(O)C[NH2+]C1 ZINC000662789778 419725513 /nfs/dbraw/zinc/72/55/13/419725513.db2.gz FSBVXFPIVYWLGE-UHFFFAOYSA-N 2 0 290.367 -0.504 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)CC1([NH3+])CC1 ZINC000662789913 419727596 /nfs/dbraw/zinc/72/75/96/419727596.db2.gz GWSIIVVITGZODF-UHFFFAOYSA-N 2 0 268.405 -0.036 20 0 CBADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C1(O)C[NH2+]C1 ZINC000662795443 419728178 /nfs/dbraw/zinc/72/81/78/419728178.db2.gz XHOSJXPOCPVLRN-UHFFFAOYSA-N 2 0 290.367 -0.252 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C3(O)C[NH2+]C3)CC[C@@H]21 ZINC000662802701 419730099 /nfs/dbraw/zinc/73/00/99/419730099.db2.gz BXHIFYXCINJJRD-MNOVXSKESA-N 2 0 253.346 -0.737 20 0 CBADRP O=C(N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1(O)C[NH2+]C1 ZINC000662805865 419730860 /nfs/dbraw/zinc/73/08/60/419730860.db2.gz ODAMKICLVFZRKY-AAEUAGOBSA-N 2 0 279.384 -0.204 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C3(O)C[NH2+]C3)CC[C@H]21 ZINC000662802704 419731513 /nfs/dbraw/zinc/73/15/13/419731513.db2.gz BXHIFYXCINJJRD-WDEREUQCSA-N 2 0 253.346 -0.737 20 0 CBADRP COC1(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC[NH2+]CC1 ZINC000648123031 419737829 /nfs/dbraw/zinc/73/78/29/419737829.db2.gz HPKQLUFPOLJMPK-VXGBXAGGSA-N 2 0 267.373 -0.035 20 0 CBADRP CC1(OCC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C[NH2+]C1 ZINC000648124141 419738605 /nfs/dbraw/zinc/73/86/05/419738605.db2.gz RUSAGDMMXGYBOW-GHMZBOCLSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C2(O)C[NH2+]C2)C[C@H]1c1cccc(F)c1 ZINC000662816763 419738657 /nfs/dbraw/zinc/73/86/57/419738657.db2.gz PBNZOIALEXRUEC-NWDGAFQWSA-N 2 0 279.315 -0.587 20 0 CBADRP COC1(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[NH2+]CC1 ZINC000648123029 419739761 /nfs/dbraw/zinc/73/97/61/419739761.db2.gz HPKQLUFPOLJMPK-NWDGAFQWSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]Cc1ccc(CNC(=O)C2(O)C[NH2+]C2)c(F)c1 ZINC000662828632 419740227 /nfs/dbraw/zinc/74/02/27/419740227.db2.gz GRHFUBFLYKOPCB-UHFFFAOYSA-N 2 0 253.277 -0.765 20 0 CBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000662829325 419740556 /nfs/dbraw/zinc/74/05/56/419740556.db2.gz RLAIWIVHSCJVNX-FMSGJZPZSA-N 2 0 267.373 -0.062 20 0 CBADRP C[NH2+]CC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662832654 419741196 /nfs/dbraw/zinc/74/11/96/419741196.db2.gz JLRGQBFBJPKGNP-LBPRGKRZSA-N 2 0 255.362 -0.081 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CCC[NH2+]1 ZINC000648124186 419742278 /nfs/dbraw/zinc/74/22/78/419742278.db2.gz TWRHTFXPPNTOKP-DYEKYZERSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[NH+]1CCN(CC(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000662844521 419745817 /nfs/dbraw/zinc/74/58/17/419745817.db2.gz CJKRWMGZDAXTGY-UHFFFAOYSA-N 2 0 256.394 -0.180 20 0 CBADRP C[NH2+]C(C)(C)CNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000342437339 419747054 /nfs/dbraw/zinc/74/70/54/419747054.db2.gz BSAFRHFHNBDQKI-UHFFFAOYSA-N 2 0 282.392 0.564 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000648136709 419750192 /nfs/dbraw/zinc/75/01/92/419750192.db2.gz FBROBTMPNZFLGG-CKYFFXLPSA-N 2 0 255.362 -0.132 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000662857160 419751191 /nfs/dbraw/zinc/75/11/91/419751191.db2.gz GODSPYCTTKVAEN-UPJWGTAASA-N 2 0 268.405 -0.264 20 0 CBADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000648138229 419751869 /nfs/dbraw/zinc/75/18/69/419751869.db2.gz WZWVDXOIHIEJKL-XQHKEYJVSA-N 2 0 264.373 -0.757 20 0 CBADRP CC1(OCC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C[NH2+]C1 ZINC000648141390 419752135 /nfs/dbraw/zinc/75/21/35/419752135.db2.gz GRSZKWSBKGVWGD-MNOVXSKESA-N 2 0 253.346 -0.425 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000662944493 419786798 /nfs/dbraw/zinc/78/67/98/419786798.db2.gz NJMTZMQMBYLRKE-NEPJUHHUSA-N 2 0 296.415 -0.265 20 0 CBADRP [NH3+]CC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662859231 419754016 /nfs/dbraw/zinc/75/40/16/419754016.db2.gz LUDVVZVPXFAVSG-CYBMUJFWSA-N 2 0 263.341 -0.172 20 0 CBADRP COC1(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC[NH2+]CC1 ZINC000648146871 419754979 /nfs/dbraw/zinc/75/49/79/419754979.db2.gz OHXMDNXDIBGKNO-SECBINFHSA-N 2 0 277.315 -0.132 20 0 CBADRP CN(C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C1(C[NH3+])CCC1 ZINC000648147206 419755449 /nfs/dbraw/zinc/75/54/49/419755449.db2.gz CCMIBIZRAGHLEE-LLVKDONJSA-N 2 0 292.387 -0.017 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000662943883 419786941 /nfs/dbraw/zinc/78/69/41/419786941.db2.gz CZQKURWPAZNVQD-NWDGAFQWSA-N 2 0 282.388 -0.654 20 0 CBADRP [NH3+]C1(C(=O)NC[C@@H]2C[NH2+]CCCO2)Cc2ccccc2C1 ZINC000648148044 419756520 /nfs/dbraw/zinc/75/65/20/419756520.db2.gz ARIRQCVKWOILJQ-AWEZNQCLSA-N 2 0 289.379 -0.023 20 0 CBADRP CC1(OCC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C[NH2+]C1 ZINC000648147158 419756711 /nfs/dbraw/zinc/75/67/11/419756711.db2.gz YGJWKJFBONGPGH-OCCSQVGLSA-N 2 0 297.399 -0.280 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC2CC1(C[NH3+])C2 ZINC000662876454 419760137 /nfs/dbraw/zinc/76/01/37/419760137.db2.gz WMHYAMSECLTYNW-QDYJBQRPSA-N 2 0 268.361 -0.964 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648153516 419760600 /nfs/dbraw/zinc/76/06/00/419760600.db2.gz XXPHDLQUPSJGHY-WDNDVIMCSA-N 2 0 280.416 -0.452 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648159717 419761732 /nfs/dbraw/zinc/76/17/32/419761732.db2.gz BGMCIOMZDFPQQB-JTQLQIEISA-N 2 0 279.331 -0.074 20 0 CBADRP [NH3+]CCOCC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000648176252 419765092 /nfs/dbraw/zinc/76/50/92/419765092.db2.gz AESITDWQJQOHBZ-RYUDHWBXSA-N 2 0 255.362 -0.048 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000648176436 419766241 /nfs/dbraw/zinc/76/62/41/419766241.db2.gz RFZBLBUTPBGBPN-UPJWGTAASA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CCC[NH2+]CC1 ZINC000662908661 419767954 /nfs/dbraw/zinc/76/79/54/419767954.db2.gz VRONVOBKXYQVID-KGLIPLIRSA-N 2 0 280.416 -0.118 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000662908347 419768158 /nfs/dbraw/zinc/76/81/58/419768158.db2.gz SXXHWNWMVVRSIB-OLZOCXBDSA-N 2 0 268.405 -0.119 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000662906408 419768863 /nfs/dbraw/zinc/76/88/63/419768863.db2.gz KAQSIDNECDUCIN-IJEWVQPXSA-N 2 0 292.427 -0.118 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)COC3(C)C[NH2+]C3)C[C@H]2[NH3+])cn1 ZINC000648180778 419769587 /nfs/dbraw/zinc/76/95/87/419769587.db2.gz OPCCRDATPCAIHQ-NWDGAFQWSA-N 2 0 293.371 -0.948 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000662909264 419770014 /nfs/dbraw/zinc/77/00/14/419770014.db2.gz YZPDZZPNSGDLQO-RDBSUJKOSA-N 2 0 280.416 -0.119 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662922034 419774967 /nfs/dbraw/zinc/77/49/67/419774967.db2.gz NZNDORXKJIJKIJ-UHFFFAOYSA-N 2 0 272.393 -0.408 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000662921201 419775270 /nfs/dbraw/zinc/77/52/70/419775270.db2.gz GICBEKSDDPQZPU-UHFFFAOYSA-N 2 0 258.366 -0.796 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648210434 419775633 /nfs/dbraw/zinc/77/56/33/419775633.db2.gz RMYBXXPZGYIJFZ-NWDGAFQWSA-N 2 0 294.399 -0.355 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000662924951 419777577 /nfs/dbraw/zinc/77/75/77/419777577.db2.gz BUTYNEGRKPJJPA-CYBMUJFWSA-N 2 0 296.415 -0.120 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000662928175 419778747 /nfs/dbraw/zinc/77/87/47/419778747.db2.gz LNVZWEMBTUXXCX-AVERBVTBSA-N 2 0 294.399 -0.511 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000662930874 419781105 /nfs/dbraw/zinc/78/11/05/419781105.db2.gz WYGQRMABAAGYMF-GFCCVEGCSA-N 2 0 282.388 -0.510 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@H]([NH3+])CC(F)F)n1 ZINC000345819219 419782626 /nfs/dbraw/zinc/78/26/26/419782626.db2.gz SSKRVHDXZMROAI-QMMMGPOBSA-N 2 0 275.303 0.366 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662936730 419784191 /nfs/dbraw/zinc/78/41/91/419784191.db2.gz BLRUHLAWUMAZPN-NEPJUHHUSA-N 2 0 298.431 -0.019 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662936733 419784959 /nfs/dbraw/zinc/78/49/59/419784959.db2.gz BLRUHLAWUMAZPN-VXGBXAGGSA-N 2 0 298.431 -0.019 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000662776344 419717366 /nfs/dbraw/zinc/71/73/66/419717366.db2.gz WZVXTMIAHOXTDL-DTWKUNHWSA-N 2 0 252.322 -0.941 20 0 CBADRP [NH3+][C@H]1CCc2nc(NC(=O)C3(O)C[NH2+]C3)sc2C1 ZINC000662778953 419719058 /nfs/dbraw/zinc/71/90/58/419719058.db2.gz OGWMKCAECYTVOE-LURJTMIESA-N 2 0 268.342 -0.768 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662781749 419719282 /nfs/dbraw/zinc/71/92/82/419719282.db2.gz ZMWDSHJTNYYOOJ-WHQQTDPMSA-N 2 0 263.263 -0.138 20 0 CBADRP O=C(N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C1(O)C[NH2+]C1 ZINC000662786268 419722628 /nfs/dbraw/zinc/72/26/28/419722628.db2.gz VWDMJVDRQWTRPD-GHMZBOCLSA-N 2 0 253.346 -0.831 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662788148 419724292 /nfs/dbraw/zinc/72/42/92/419724292.db2.gz XVTYBXQDOXUWRX-STQMWFEESA-N 2 0 285.388 -0.469 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CCO1 ZINC000662974080 419800189 /nfs/dbraw/zinc/80/01/89/419800189.db2.gz ZVSPPUGZONPQAL-MCIONIFRSA-N 2 0 299.415 -0.081 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662973496 419800564 /nfs/dbraw/zinc/80/05/64/419800564.db2.gz QXCBYVWNAHPHDA-QWHCGFSZSA-N 2 0 287.404 -0.081 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@]2(C)CC[NH2+]C2)CC1=O ZINC000663010183 419810556 /nfs/dbraw/zinc/81/05/56/419810556.db2.gz IMAVVYVMNXYXPV-RISCZKNCSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)CC[N@@H+]1C ZINC000648838596 419810631 /nfs/dbraw/zinc/81/06/31/419810631.db2.gz PMHKKQFDAVOKMI-NQBHXWOUSA-N 2 0 257.378 -0.245 20 0 CBADRP C[C@@H](C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[NH+](C)C ZINC000649270077 419858594 /nfs/dbraw/zinc/85/85/94/419858594.db2.gz VFNHHPXFJMNPRK-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000663217535 419827980 /nfs/dbraw/zinc/82/79/80/419827980.db2.gz MLGBKFDKLOYBAZ-WDEREUQCSA-N 2 0 253.346 -0.295 20 0 CBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000649070055 419831259 /nfs/dbraw/zinc/83/12/59/419831259.db2.gz GPUJFHJMYRWWRE-NWDGAFQWSA-N 2 0 282.388 -0.484 20 0 CBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000649076016 419834755 /nfs/dbraw/zinc/83/47/55/419834755.db2.gz OPQQHPCSCXOYMU-VXGBXAGGSA-N 2 0 282.388 -0.341 20 0 CBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000649076014 419836680 /nfs/dbraw/zinc/83/66/80/419836680.db2.gz OPQQHPCSCXOYMU-NWDGAFQWSA-N 2 0 282.388 -0.341 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000649077476 419837246 /nfs/dbraw/zinc/83/72/46/419837246.db2.gz SSLVRRTXKYNGKF-GFCCVEGCSA-N 2 0 284.404 -0.095 20 0 CBADRP [NH3+]C[C@@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)CCO1 ZINC000663492695 419841236 /nfs/dbraw/zinc/84/12/36/419841236.db2.gz BJNYCZYTVAHKPV-SECBINFHSA-N 2 0 268.386 -0.052 20 0 CBADRP [NH3+]C1CCC(OCC(=O)N2CCOC3(C[NH2+]C3)C2)CC1 ZINC000663492266 419841339 /nfs/dbraw/zinc/84/13/39/419841339.db2.gz QXABPNBPSKSPKC-UHFFFAOYSA-N 2 0 283.372 -0.526 20 0 CBADRP C[NH2+]C[C@H](C)NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000663509448 419842373 /nfs/dbraw/zinc/84/23/73/419842373.db2.gz KTWKMGBSRQDHEM-AWEZNQCLSA-N 2 0 284.448 -0.020 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[NH2+]CC2(C)C)CC1 ZINC000649273417 419859596 /nfs/dbraw/zinc/85/95/96/419859596.db2.gz JBBABALUJSDMRR-UHFFFAOYSA-N 2 0 268.405 -0.166 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000662946293 419791204 /nfs/dbraw/zinc/79/12/04/419791204.db2.gz QTFYUNHYHGXTJI-PSASIEDQSA-N 2 0 279.344 -0.355 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000662966088 419794971 /nfs/dbraw/zinc/79/49/71/419794971.db2.gz OVUWIXLCYOYTQW-QWRGUYRKSA-N 2 0 270.377 -0.879 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662963528 419795995 /nfs/dbraw/zinc/79/59/95/419795995.db2.gz UVCBWQPQCOBTQT-MQYJIDSJSA-N 2 0 294.399 -0.511 20 0 CBADRP C[C@@H]1C[NH+](CCCCNC(=O)COCC[NH3+])C[C@@H](C)O1 ZINC000649302423 419871544 /nfs/dbraw/zinc/87/15/44/419871544.db2.gz OFZQXCNVLAQPFU-CHWSQXEVSA-N 2 0 287.404 -0.033 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649299007 419871561 /nfs/dbraw/zinc/87/15/61/419871561.db2.gz SDUASJJUSQHDKK-UTUOFQBUSA-N 2 0 255.362 -0.179 20 0 CBADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649306508 419874728 /nfs/dbraw/zinc/87/47/28/419874728.db2.gz WNHSEHAIYISYHN-FICVDOATSA-N 2 0 294.443 -0.158 20 0 CBADRP CCN(C(=O)NC[C@H]1C[NH+](C)CCN1C)[C@H]1CC[N@H+](C)C1 ZINC000664082231 419879447 /nfs/dbraw/zinc/87/94/47/419879447.db2.gz AFOBDJWCPVODPX-KBPBESRZSA-N 2 0 297.447 -0.032 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000649318555 419879903 /nfs/dbraw/zinc/87/99/03/419879903.db2.gz VVDTYPJZYHTWPB-FRRDWIJNSA-N 2 0 296.415 -0.217 20 0 CBADRP CCN(C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@@H]1CC[N@H+](C)C1 ZINC000664082234 419880259 /nfs/dbraw/zinc/88/02/59/419880259.db2.gz AFOBDJWCPVODPX-ZIAGYGMSSA-N 2 0 297.447 -0.032 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cn1 ZINC000649312537 419880300 /nfs/dbraw/zinc/88/03/00/419880300.db2.gz XTSDAKCEZZECNX-GDNZZTSVSA-N 2 0 263.345 -0.151 20 0 CBADRP COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCOCC[NH3+])C1 ZINC000357080756 419882239 /nfs/dbraw/zinc/88/22/39/419882239.db2.gz NDARLDRIBRVMOX-STQMWFEESA-N 2 0 287.404 -0.175 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000649321380 419882611 /nfs/dbraw/zinc/88/26/11/419882611.db2.gz VVIOITJJNIJPQH-HZSPNIEDSA-N 2 0 297.399 -0.578 20 0 CBADRP [NH3+]CCOCC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000649321076 419882818 /nfs/dbraw/zinc/88/28/18/419882818.db2.gz KZDDUQKMOIORRE-VXGBXAGGSA-N 2 0 271.361 -0.981 20 0 CBADRP C[C@H]1C[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000664219554 419889294 /nfs/dbraw/zinc/88/92/94/419889294.db2.gz RPXWAOMUQYKLFE-RNJOBUHISA-N 2 0 284.404 -0.215 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000649335673 419894880 /nfs/dbraw/zinc/89/48/80/419894880.db2.gz RBAQGJRMAPZERX-HZSPNIEDSA-N 2 0 296.415 -0.754 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649340393 419895200 /nfs/dbraw/zinc/89/52/00/419895200.db2.gz VVTSSADQUCSCDF-UTUOFQBUSA-N 2 0 255.362 -0.179 20 0 CBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000649341797 419896135 /nfs/dbraw/zinc/89/61/35/419896135.db2.gz XLJVXIUQJMCPDS-IGQOVBAYSA-N 2 0 279.384 -0.368 20 0 CBADRP C[NH+](C)C1(C(=O)NCCN2CC[NH+](C)CC2)CC1 ZINC000665771367 544615296 /nfs/dbraw/zinc/61/52/96/544615296.db2.gz BOTSKUKDWGXFBG-UHFFFAOYSA-N 2 0 254.378 -0.556 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000666923992 544650559 /nfs/dbraw/zinc/65/05/59/544650559.db2.gz WJUDCGLLQYRVDM-TZMCWYRMSA-N 2 0 284.404 -0.164 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000358523518 419899324 /nfs/dbraw/zinc/89/93/24/419899324.db2.gz LOWGTAPAWRHPIC-NEPJUHHUSA-N 2 0 299.419 -0.425 20 0 CBADRP Cn1c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc(=O)n(C)c1=O ZINC000358517864 419900417 /nfs/dbraw/zinc/90/04/17/419900417.db2.gz PUKJGLWXZFPENZ-UHFFFAOYSA-N 2 0 292.383 -0.341 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000358545696 419902515 /nfs/dbraw/zinc/90/25/15/419902515.db2.gz ZPFBGMNFEFXSKD-ZDUSSCGKSA-N 2 0 284.404 -0.800 20 0 CBADRP C[C@H](CNC(=O)COC1(C)C[NH2+]C1)N1CC[NH+](C)CC1 ZINC000649352128 419903287 /nfs/dbraw/zinc/90/32/87/419903287.db2.gz UINSFFCDTFHNEA-GFCCVEGCSA-N 2 0 284.404 -0.883 20 0 CBADRP C[C@@H](C(=O)N1C[C@@H](C)N(CCO)C[C@H]1C)[NH+](C)C ZINC000668041771 544683011 /nfs/dbraw/zinc/68/30/11/544683011.db2.gz WLMLKSDHZMAMKA-UTUOFQBUSA-N 2 0 257.378 -0.150 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000649357586 419903855 /nfs/dbraw/zinc/90/38/55/419903855.db2.gz UHUZOWNZSVIQHM-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC(C)([NH3+])CC2)CC1=O ZINC000649357908 419903996 /nfs/dbraw/zinc/90/39/96/419903996.db2.gz XJONCWVXLXESOC-GFCCVEGCSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000649351267 419904363 /nfs/dbraw/zinc/90/43/63/419904363.db2.gz DSZYAFPGRJVQLO-DGAVXFQQSA-N 2 0 280.416 -0.264 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649352094 419904863 /nfs/dbraw/zinc/90/48/63/419904863.db2.gz QJSWBDJYIMOTQG-LOWDOPEQSA-N 2 0 266.389 -0.511 20 0 CBADRP C[C@@H](C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[NH+](C)C ZINC000649360406 419905430 /nfs/dbraw/zinc/90/54/30/419905430.db2.gz QRSHHCQZESSXJO-UWVGGRQHSA-N 2 0 296.337 -0.111 20 0 CBADRP CCC[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[N@@H+]1CCOC ZINC000649379158 419907598 /nfs/dbraw/zinc/90/75/98/419907598.db2.gz OCMXOENZMMNAAD-UONOGXRCSA-N 2 0 299.415 -0.066 20 0 CBADRP [NH3+]CCOCCN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000649412462 419909878 /nfs/dbraw/zinc/90/98/78/419909878.db2.gz NINSSIGCKURCEL-STQMWFEESA-N 2 0 257.378 -0.507 20 0 CBADRP CC(C)(CO)[NH+]1CCN(CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000649413569 419909952 /nfs/dbraw/zinc/90/99/52/419909952.db2.gz KHKGAZCNLSBFEQ-UHFFFAOYSA-N 2 0 298.431 -0.803 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000668362328 544696329 /nfs/dbraw/zinc/69/63/29/544696329.db2.gz WNWBMVHEBIWCCO-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@]1(C(=O)N2CCOC3(C[NH2+]C3)C2)CCC[NH2+]1 ZINC000664727634 419913978 /nfs/dbraw/zinc/91/39/78/419913978.db2.gz MUNQNSOIVNVUPI-CYBMUJFWSA-N 2 0 253.346 -0.281 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)CC[N@@H+]1C ZINC000358728610 419914225 /nfs/dbraw/zinc/91/42/25/419914225.db2.gz YIQSJFKHGHIETM-MBNYWOFBSA-N 2 0 284.404 -0.165 20 0 CBADRP CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000668670165 544713950 /nfs/dbraw/zinc/71/39/50/544713950.db2.gz IFWBXIWNANNJKU-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC(=O)N1 ZINC000668666490 544714275 /nfs/dbraw/zinc/71/42/75/544714275.db2.gz IFUXWPQFBVQMFJ-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000668670164 544714653 /nfs/dbraw/zinc/71/46/53/544714653.db2.gz IFWBXIWNANNJKU-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000669402971 544748343 /nfs/dbraw/zinc/74/83/43/544748343.db2.gz CIXINTDQOLKEJE-KGLIPLIRSA-N 2 0 295.431 -0.230 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000669403221 544749734 /nfs/dbraw/zinc/74/97/34/544749734.db2.gz OZAHQYUSQNQPEQ-TUAOUCFPSA-N 2 0 252.362 -0.059 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CCCCC[NH2+]1 ZINC000669509360 544751028 /nfs/dbraw/zinc/75/10/28/544751028.db2.gz PAZBRORYPMNNSM-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP CC1(C)C[NH2+]CCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000669512404 544751468 /nfs/dbraw/zinc/75/14/68/544751468.db2.gz PKEDNVUNKSMUPJ-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP CC(C)(C(=O)NC[C@@H]1CCCC[NH2+]1)N1CC[NH2+]CC1 ZINC000669509590 544751775 /nfs/dbraw/zinc/75/17/75/544751775.db2.gz DWYBWVZMOZAGHY-LBPRGKRZSA-N 2 0 268.405 -0.072 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000671820223 544833844 /nfs/dbraw/zinc/83/38/44/544833844.db2.gz JZCRANXZFAGXLG-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP C[C@H](NCc1nc(C[NH3+])cc(=O)[nH]1)[C@@H]1CCC[NH2+]1 ZINC000665294846 419938074 /nfs/dbraw/zinc/93/80/74/419938074.db2.gz XMSPOAAXFZSEDR-WPRPVWTQSA-N 2 0 251.334 -0.129 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292094 419938157 /nfs/dbraw/zinc/93/81/57/419938157.db2.gz SGSIAIJWVHLORH-PSASIEDQSA-N 2 0 251.334 -0.319 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)n1 ZINC000665294602 419938395 /nfs/dbraw/zinc/93/83/95/419938395.db2.gz RTVJFNGVJBLHMO-BXUZGUMPSA-N 2 0 293.371 -0.503 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665294665 419938822 /nfs/dbraw/zinc/93/88/22/419938822.db2.gz TZFMNQPEUCBGBZ-PSASIEDQSA-N 2 0 251.334 -0.272 20 0 CBADRP COC1CC[NH+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000359205368 419948280 /nfs/dbraw/zinc/94/82/80/419948280.db2.gz KBNIPMDGARGABO-GFCCVEGCSA-N 2 0 283.372 -0.214 20 0 CBADRP CCN1CCN(C(=O)[C@@H](C)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359307697 419956213 /nfs/dbraw/zinc/95/62/13/419956213.db2.gz NYLNLXSQCBIMLC-MCIONIFRSA-N 3 0 280.416 -0.310 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359384131 419962544 /nfs/dbraw/zinc/96/25/44/419962544.db2.gz UVKXPWGGOIJKON-STQMWFEESA-N 2 0 266.389 -0.698 20 0 CBADRP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CNC(=O)C[NH3+] ZINC000364223955 420031068 /nfs/dbraw/zinc/03/10/68/420031068.db2.gz BVGQNALPFOFJKH-GHMZBOCLSA-N 2 0 268.361 -0.854 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364565181 420042128 /nfs/dbraw/zinc/04/21/28/420042128.db2.gz YZJWAFOGDPGKOO-GXTWGEPZSA-N 2 0 266.389 -0.603 20 0 CBADRP COC(=O)[C@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)CN1 ZINC000365776507 420069762 /nfs/dbraw/zinc/06/97/62/420069762.db2.gz AOEFGJBNFHZYHX-KXUCPTDWSA-N 2 0 255.318 -0.994 20 0 CBADRP CCO[C@@H]1CN(C(=O)N[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000652206896 420050873 /nfs/dbraw/zinc/05/08/73/420050873.db2.gz XYCCJUQFQVXNOY-GRYCIOLGSA-N 2 0 270.377 -0.256 20 0 CBADRP CCO[C@@H]1CN(C(=O)NC[C@H]([NH3+])C2CC2)C[C@H]1C[NH3+] ZINC000652211626 420051715 /nfs/dbraw/zinc/05/17/15/420051715.db2.gz GDSQNCRRXUUCDO-GRYCIOLGSA-N 2 0 270.377 -0.271 20 0 CBADRP O=C(NCCC1CC[NH2+]CC1)NC[C@H]1C[NH2+]CCO1 ZINC000652223357 420052231 /nfs/dbraw/zinc/05/22/31/420052231.db2.gz DESYAVZXAXXPDR-GFCCVEGCSA-N 2 0 270.377 -0.336 20 0 CBADRP CCO[C@@H]1CN(C(=O)N[C@H](C)[C@H](C)[NH3+])C[C@H]1C[NH3+] ZINC000652220745 420052409 /nfs/dbraw/zinc/05/24/09/420052409.db2.gz IKXQHNGVTFTQAM-LNFKQOIKSA-N 2 0 258.366 -0.273 20 0 CBADRP CC[C@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CCN1CCOC ZINC000365088992 420054168 /nfs/dbraw/zinc/05/41/68/420054168.db2.gz GIFJVUQPPXMUKY-YNEHKIRRSA-N 2 0 285.388 -0.722 20 0 CBADRP COCC1(C(=O)N[C@@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000365421014 420062111 /nfs/dbraw/zinc/06/21/11/420062111.db2.gz SIQLYCINGAFDTJ-LLVKDONJSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000366932201 420095520 /nfs/dbraw/zinc/09/55/20/420095520.db2.gz JRUIZSBYVSCMMF-RVMXOQNASA-N 2 0 267.373 -0.443 20 0 CBADRP COCC[NH2+]CCNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000368711742 420141856 /nfs/dbraw/zinc/14/18/56/420141856.db2.gz HPILTJVOHMLXFR-GFCCVEGCSA-N 2 0 295.387 -0.227 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000367407624 420105315 /nfs/dbraw/zinc/10/53/15/420105315.db2.gz IIAZKAHJOJRCJD-CYBMUJFWSA-N 2 0 268.405 -0.167 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653043357 420108955 /nfs/dbraw/zinc/10/89/55/420108955.db2.gz QHFFCSPRLXBCMT-OBJOEFQTSA-N 2 0 267.373 -0.320 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000367475515 420109307 /nfs/dbraw/zinc/10/93/07/420109307.db2.gz BYRUTEXROFJTMZ-MJBXVCDLSA-N 2 0 275.352 -0.603 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653049303 420109612 /nfs/dbraw/zinc/10/96/12/420109612.db2.gz BKGUQVXDFDRUFG-CYBMUJFWSA-N 2 0 268.405 -0.260 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653050119 420110048 /nfs/dbraw/zinc/11/00/48/420110048.db2.gz BMECZWXJZDLAEP-GWCFXTLKSA-N 2 0 253.346 -0.567 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653047836 420110093 /nfs/dbraw/zinc/11/00/93/420110093.db2.gz YQCKWBJALJNERU-GVXVVHGQSA-N 2 0 253.346 -0.567 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653049662 420110133 /nfs/dbraw/zinc/11/01/33/420110133.db2.gz YEARYXKOPORPAZ-GVXVVHGQSA-N 2 0 253.346 -0.710 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653049421 420110398 /nfs/dbraw/zinc/11/03/98/420110398.db2.gz JTDAFXATQQOUBV-KGLIPLIRSA-N 2 0 280.416 -0.119 20 0 CBADRP C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[C@H]1[NH3+] ZINC000653052245 420111299 /nfs/dbraw/zinc/11/12/99/420111299.db2.gz YXXIWERYDHVFIP-KQXIARHKSA-N 2 0 253.346 -0.582 20 0 CBADRP C[C@@H]1CCCN(C(=O)[C@@H](N)CC[NH+](C)C)[C@@H]1C[NH3+] ZINC000653052045 420111939 /nfs/dbraw/zinc/11/19/39/420111939.db2.gz SIBVMUMAZSKSLA-GRYCIOLGSA-N 2 0 256.394 -0.149 20 0 CBADRP CCCN(C(=O)C[C@@H]1COCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000367649965 420112120 /nfs/dbraw/zinc/11/21/20/420112120.db2.gz YFYBSLKIDFAVGT-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP CN1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@H](C[NH3+])C1 ZINC000653054969 420112153 /nfs/dbraw/zinc/11/21/53/420112153.db2.gz DJIMHQULLKMTSG-QJPTWQEYSA-N 2 0 254.378 -0.395 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653051938 420112267 /nfs/dbraw/zinc/11/22/67/420112267.db2.gz OVGSCNTWGDMJEK-UHXUPSOCSA-N 2 0 267.373 -0.192 20 0 CBADRP CCNC(=O)CN(CC)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653070615 420112902 /nfs/dbraw/zinc/11/29/02/420112902.db2.gz CLZWFFQOLHPVBC-JTQLQIEISA-N 2 0 258.366 -0.750 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H](O)COc1ccccc1 ZINC000653073239 420113161 /nfs/dbraw/zinc/11/31/61/420113161.db2.gz WPZDRBANZHOUHI-OCCSQVGLSA-N 2 0 295.383 -0.179 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000653071935 420113246 /nfs/dbraw/zinc/11/32/46/420113246.db2.gz XTKQMIXYZWEMGA-RYUDHWBXSA-N 2 0 282.388 -0.465 20 0 CBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC([NH+](C)C)C2)C1 ZINC000367920459 420116486 /nfs/dbraw/zinc/11/64/86/420116486.db2.gz IJNILDLJQOHTCR-GFCCVEGCSA-N 2 0 255.362 -0.132 20 0 CBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653112586 420116675 /nfs/dbraw/zinc/11/66/75/420116675.db2.gz CLKDGBLJAFYSMI-MJVIPROJSA-N 2 0 265.357 -0.425 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000653112280 420116693 /nfs/dbraw/zinc/11/66/93/420116693.db2.gz SXSAMCMYMWJJTG-RYUDHWBXSA-N 2 0 256.394 -0.278 20 0 CBADRP O=C(NCC[NH+]1CCCCC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653106628 420116843 /nfs/dbraw/zinc/11/68/43/420116843.db2.gz GEGTVIDYJZQSNP-JSGCOSHPSA-N 2 0 267.373 -0.176 20 0 CBADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653110420 420117124 /nfs/dbraw/zinc/11/71/24/420117124.db2.gz IFZQUBOIUHXKAZ-HUBLWGQQSA-N 2 0 279.384 -0.177 20 0 CBADRP O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000367832908 420117304 /nfs/dbraw/zinc/11/73/04/420117304.db2.gz RUBRBEWNCBJCFC-CABCVRRESA-N 2 0 289.379 -0.043 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000653112279 420117534 /nfs/dbraw/zinc/11/75/34/420117534.db2.gz SXSAMCMYMWJJTG-NWDGAFQWSA-N 2 0 256.394 -0.278 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)cn1 ZINC000653114606 420118353 /nfs/dbraw/zinc/11/83/53/420118353.db2.gz OHBNIJKUVJNMNP-FZMZJTMJSA-N 2 0 293.371 -0.381 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000653120095 420118457 /nfs/dbraw/zinc/11/84/57/420118457.db2.gz FXCSJHNOYOXCCM-CYBMUJFWSA-N 2 0 268.405 -0.038 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000653120096 420118539 /nfs/dbraw/zinc/11/85/39/420118539.db2.gz FXCSJHNOYOXCCM-ZDUSSCGKSA-N 2 0 268.405 -0.038 20 0 CBADRP O=C(N1CC[C@H]([NH+]2CCCC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653115161 420119168 /nfs/dbraw/zinc/11/91/68/420119168.db2.gz FQIWMTRVOYXWCI-YDHLFZDLSA-N 2 0 279.384 -0.081 20 0 CBADRP CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000653117415 420119714 /nfs/dbraw/zinc/11/97/14/420119714.db2.gz LFGNDUNMACXJOC-LNSITVRQSA-N 2 0 279.384 -0.083 20 0 CBADRP C[C@@H](CNC(=O)[C@H](N)CC[NH+](C)C)[N@H+](C)C1CC1 ZINC000653116706 420120547 /nfs/dbraw/zinc/12/05/47/420120547.db2.gz PLPJSUFOPJTFJB-CMPLNLGQSA-N 2 0 256.394 -0.136 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000653140360 420121898 /nfs/dbraw/zinc/12/18/98/420121898.db2.gz ZWIMJXCSALBDOB-NEPJUHHUSA-N 2 0 256.394 -0.005 20 0 CBADRP O=C([C@H]1CCC[NH2+]CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000653141503 420122125 /nfs/dbraw/zinc/12/21/25/420122125.db2.gz UZKIIEYKOVKQKZ-KBPBESRZSA-N 2 0 280.416 -0.118 20 0 CBADRP O=C(N1CCC2(CC[NH2+]C2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653143381 420123174 /nfs/dbraw/zinc/12/31/74/420123174.db2.gz MQBUICJEOGUYLR-WFASDCNBSA-N 2 0 279.384 -0.176 20 0 CBADRP O=C(NC[C@H]1C[NH2+]C[C@H]1O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368115614 420123895 /nfs/dbraw/zinc/12/38/95/420123895.db2.gz OSEHNZBFGASTRL-YVECIDJPSA-N 2 0 267.373 -0.681 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H](N)CC[NH+](C)C)C[C@@]1(C)C[NH3+] ZINC000653162902 420124270 /nfs/dbraw/zinc/12/42/70/420124270.db2.gz SDNSWUQFYHTYNN-NTZNESFSSA-N 2 0 256.394 -0.291 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H](N)CC[NH+](C)C)C[C@H]1C[NH3+] ZINC000653163002 420125166 /nfs/dbraw/zinc/12/51/66/420125166.db2.gz AIRIXWATPZSXSC-UTUOFQBUSA-N 2 0 256.394 -0.291 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653193019 420126152 /nfs/dbraw/zinc/12/61/52/420126152.db2.gz ADVQVHSHNIGKPT-OBJOEFQTSA-N 2 0 268.405 -0.147 20 0 CBADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1COCC[NH2+]1)C2 ZINC000653194045 420126302 /nfs/dbraw/zinc/12/63/02/420126302.db2.gz SHHKYCVGGQEYEU-OBJOEFQTSA-N 2 0 267.373 -0.048 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)CNC(=O)C[NH3+] ZINC000653175811 420126808 /nfs/dbraw/zinc/12/68/08/420126808.db2.gz BQUMUFUNCTXIKD-UHFFFAOYSA-N 2 0 258.366 -0.845 20 0 CBADRP [NH3+]CC1(CCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000653221266 420128046 /nfs/dbraw/zinc/12/80/46/420128046.db2.gz PHXULCWMTAVILA-LLVKDONJSA-N 2 0 292.387 -0.111 20 0 CBADRP C[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)[C@@H]1CC[NH3+] ZINC000653233230 420128480 /nfs/dbraw/zinc/12/84/80/420128480.db2.gz SMKWBFNLSKZXTR-IJLUTSLNSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C2 ZINC000653194539 420128852 /nfs/dbraw/zinc/12/88/52/420128852.db2.gz MGKBEXSOTZFOIF-HUBLWGQQSA-N 2 0 294.399 -0.558 20 0 CBADRP CCO[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000653243742 420130230 /nfs/dbraw/zinc/13/02/30/420130230.db2.gz MDTWYPQXIGPVHG-IJLUTSLNSA-N 2 0 255.362 -0.049 20 0 CBADRP COCC[C@@]1(C(=O)NCC[NH2+]C2CC2)CC[NH2+]C1 ZINC000368451744 420132585 /nfs/dbraw/zinc/13/25/85/420132585.db2.gz URZGWECTBBJNKQ-ZDUSSCGKSA-N 2 0 255.362 -0.129 20 0 CBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000368457174 420133341 /nfs/dbraw/zinc/13/33/41/420133341.db2.gz HETUEMNSBCZSOI-AWEZNQCLSA-N 2 0 298.431 -0.541 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000672696841 544858568 /nfs/dbraw/zinc/85/85/68/544858568.db2.gz NTXLEBZCKWHSFN-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@H](NC[C@H]2CCC[N@H+](C)C2)C1=O ZINC000653285115 420137203 /nfs/dbraw/zinc/13/72/03/420137203.db2.gz DFNKTIYDEQQAKA-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@@H]1CCCN(C(=O)C[C@H]2COCC[NH2+]2)[C@H]1C[NH3+] ZINC000368596336 420137551 /nfs/dbraw/zinc/13/75/51/420137551.db2.gz CRENKKYBQCLZTO-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CCC[C@H]2CO)C1=O ZINC000653285636 420137633 /nfs/dbraw/zinc/13/76/33/420137633.db2.gz UKXLBMGKOCBUSV-QWRGUYRKSA-N 2 0 269.345 -0.868 20 0 CBADRP C[C@H](CO)[NH2+][C@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000653285194 420137945 /nfs/dbraw/zinc/13/79/45/420137945.db2.gz HJWPPGXHZMXHOV-ZJUUUORDSA-N 2 0 257.334 -0.964 20 0 CBADRP C[NH+](C)CCCN1C(=O)C[C@@H]([NH2+]C2CCOCC2)C1=O ZINC000653283940 420138631 /nfs/dbraw/zinc/13/86/31/420138631.db2.gz UAPRQBCMIIEQSV-GFCCVEGCSA-N 2 0 283.372 -0.166 20 0 CBADRP C[C@H](C[NH3+])NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000652612027 420071117 /nfs/dbraw/zinc/07/11/17/420071117.db2.gz FJWJCXRDERABLZ-SECBINFHSA-N 2 0 254.338 -0.087 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652695668 420071805 /nfs/dbraw/zinc/07/18/05/420071805.db2.gz YPCWMYOBXCVXON-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652692604 420072540 /nfs/dbraw/zinc/07/25/40/420072540.db2.gz ZCBAWXKJRDYJNQ-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000652696704 420074208 /nfs/dbraw/zinc/07/42/08/420074208.db2.gz PEJBHCDWHJMNIX-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000652699349 420074342 /nfs/dbraw/zinc/07/43/42/420074342.db2.gz VZRBJJWKEGTZJU-LBPRGKRZSA-N 2 0 286.420 -0.209 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000652699348 420074439 /nfs/dbraw/zinc/07/44/39/420074439.db2.gz VZRBJJWKEGTZJU-GFCCVEGCSA-N 2 0 286.420 -0.209 20 0 CBADRP C[C@@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[NH+](C)C ZINC000652734394 420078501 /nfs/dbraw/zinc/07/85/01/420078501.db2.gz JCRVBOHJLSOQRV-NSHDSACASA-N 2 0 270.377 -0.831 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[NH+](C)C ZINC000652734696 420078557 /nfs/dbraw/zinc/07/85/57/420078557.db2.gz TUOPKBSBYNCJIE-AWEZNQCLSA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC[N@@H+]1C ZINC000652733192 420079023 /nfs/dbraw/zinc/07/90/23/420079023.db2.gz AYAYTGNQGZHDFV-CHWSQXEVSA-N 2 0 296.415 -0.441 20 0 CBADRP C[NH+](C)CCN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1=O ZINC000652735103 420079737 /nfs/dbraw/zinc/07/97/37/420079737.db2.gz BUJKIDBXUGGEMY-GFCCVEGCSA-N 2 0 282.388 -0.687 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652733257 420080198 /nfs/dbraw/zinc/08/01/98/420080198.db2.gz CGMLZRCDHCPCSJ-UHFFFAOYSA-N 2 0 298.431 -0.001 20 0 CBADRP [NH3+]CCc1nc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cs1 ZINC000366459377 420084363 /nfs/dbraw/zinc/08/43/63/420084363.db2.gz XSIWNVJYMFAQCQ-MTBHXBHISA-N 2 0 252.343 -0.408 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000366451732 420084701 /nfs/dbraw/zinc/08/47/01/420084701.db2.gz QZAKYZZAUGVAFB-MRVPVSSYSA-N 2 0 251.334 -0.217 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000654662451 420188384 /nfs/dbraw/zinc/18/83/84/420188384.db2.gz OVPOERDDPUQQGQ-SCRDCRAPSA-N 2 0 284.404 -0.308 20 0 CBADRP COC[C@@H]([NH3+])C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000375952130 420193951 /nfs/dbraw/zinc/19/39/51/420193951.db2.gz AMCLJVJZZWFHNV-OLZOCXBDSA-N 2 0 263.341 -0.037 20 0 CBADRP COCC[N@H+](C)C[C@H](O)Cn1cc(C[NH2+]C2CC2)nn1 ZINC000380574169 420197885 /nfs/dbraw/zinc/19/78/85/420197885.db2.gz UTVGTTQDYNRDGD-ZDUSSCGKSA-N 2 0 283.376 -0.531 20 0 CBADRP CC[C@@H]([NH3+])c1cn(C[C@@H](O)C[N@H+](C)CCOC)nn1 ZINC000388776475 420204218 /nfs/dbraw/zinc/20/42/18/420204218.db2.gz MPJAQGATCMHSNM-WDEREUQCSA-N 2 0 271.365 -0.373 20 0 CBADRP C[C@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[N@H+](C)C1CC1 ZINC000388499582 420204811 /nfs/dbraw/zinc/20/48/11/420204811.db2.gz GZCROELXQVFQJI-PWSUYJOCSA-N 2 0 291.417 -0.623 20 0 CBADRP C[NH2+][C@H](C)c1cn(C[C@H](O)C[N@H+](C)CCOC)nn1 ZINC000388647224 420205413 /nfs/dbraw/zinc/20/54/13/420205413.db2.gz YUTCKWZHKNZVFU-GHMZBOCLSA-N 2 0 271.365 -0.502 20 0 CBADRP C[C@@H]([NH2+]C[C@H](O)CN1CCOCC1)C1CC[NH+](C)CC1 ZINC000396458355 420213857 /nfs/dbraw/zinc/21/38/57/420213857.db2.gz OIHBRQMSWUMCFN-HIFRSBDPSA-N 2 0 285.432 -0.001 20 0 CBADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)NC(N)=O)C[C@H]1C[NH3+] ZINC000397377724 420214470 /nfs/dbraw/zinc/21/44/70/420214470.db2.gz JDBYACBHKJIUNH-KXUCPTDWSA-N 2 0 256.350 -0.123 20 0 CBADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CC(N)=O)C1 ZINC000653563593 420149225 /nfs/dbraw/zinc/14/92/25/420149225.db2.gz UQAZWESICTYGRR-NEPJUHHUSA-N 2 0 257.378 -0.114 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000653542039 420150530 /nfs/dbraw/zinc/15/05/30/420150530.db2.gz DKRNQNAYSUFCKG-RRFJBIMHSA-N 2 0 285.432 -0.170 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](C(C)(C)CO)CC1 ZINC000653580209 420150657 /nfs/dbraw/zinc/15/06/57/420150657.db2.gz CTUUKTQVUFKFNC-CYBMUJFWSA-N 2 0 273.421 -0.313 20 0 CBADRP [NH3+]C[C@H](NC(=O)[C@@H]1C[C@H](O)C[NH2+]1)C1CCCCC1 ZINC000369762678 420166141 /nfs/dbraw/zinc/16/61/41/420166141.db2.gz ZCNNIUOFDBKSBG-SRVKXCTJSA-N 2 0 255.362 -0.267 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CCC[NH2+]CC2)CC1=O ZINC000370021503 420172265 /nfs/dbraw/zinc/17/22/65/420172265.db2.gz QLKDLJYBJBXPRO-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP O=C(N[C@H]1CC[NH+](C2CC2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654444882 420179335 /nfs/dbraw/zinc/17/93/35/420179335.db2.gz FGPWORXHTAQAJX-FPMFFAJLSA-N 2 0 294.399 -0.317 20 0 CBADRP COCCN(C)C[C@@H](O)C[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000401912161 420221608 /nfs/dbraw/zinc/22/16/08/420221608.db2.gz ULPBZGJVDXMIPB-RWMBFGLXSA-N 2 0 260.378 -0.229 20 0 CBADRP CCO[C@@H]1CN(CC(=O)NCCCOC)C[C@H]1C[NH3+] ZINC000405523334 420228105 /nfs/dbraw/zinc/22/81/05/420228105.db2.gz JYUXOPGGKJQNLZ-VXGBXAGGSA-N 2 0 273.377 -0.565 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000407259962 420228118 /nfs/dbraw/zinc/22/81/18/420228118.db2.gz IQYVAQVVCRBYLM-KGLIPLIRSA-N 2 0 280.416 -0.119 20 0 CBADRP C[NH+]1CCC(CC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000655295251 420238886 /nfs/dbraw/zinc/23/88/86/420238886.db2.gz DIUBDANHAJHVNY-UONOGXRCSA-N 2 0 281.400 -0.004 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655297999 420241155 /nfs/dbraw/zinc/24/11/55/420241155.db2.gz ZDLWBCSQEQSOQR-QJPTWQEYSA-N 2 0 253.346 -0.642 20 0 CBADRP CC[NH2+]CCNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000418313498 420242249 /nfs/dbraw/zinc/24/22/49/420242249.db2.gz BZROIVFENCFOKR-TXEJJXNPSA-N 2 0 272.393 -0.308 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000418936784 420242648 /nfs/dbraw/zinc/24/26/48/420242648.db2.gz KIIGOPWIZFRGQX-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000418948749 420243216 /nfs/dbraw/zinc/24/32/16/420243216.db2.gz QQOOMSKRIPYTJY-GHMZBOCLSA-N 2 0 272.393 -0.314 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000418950091 420243661 /nfs/dbraw/zinc/24/36/61/420243661.db2.gz SGYMTWHHDHETGO-WDEREUQCSA-N 2 0 272.393 -0.362 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)CC[NH3+] ZINC000418931081 420243759 /nfs/dbraw/zinc/24/37/59/420243759.db2.gz GPLLTMDNEITUQZ-JTQLQIEISA-N 2 0 258.366 -0.750 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418950789 420243952 /nfs/dbraw/zinc/24/39/52/420243952.db2.gz TYQLYKVRNAVVMT-ZYHUDNBSSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418950784 420244182 /nfs/dbraw/zinc/24/41/82/420244182.db2.gz TYQLYKVRNAVVMT-JQWIXIFHSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H]1[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCC[N@@H+]1C ZINC000419556950 420244755 /nfs/dbraw/zinc/24/47/55/420244755.db2.gz LMMUGOPPUVRJKR-LOWDOPEQSA-N 2 0 294.399 -0.594 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000419582136 420245092 /nfs/dbraw/zinc/24/50/92/420245092.db2.gz JEFWNJCXPONDRB-GRYCIOLGSA-N 2 0 296.415 -0.029 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000419739843 420245268 /nfs/dbraw/zinc/24/52/68/420245268.db2.gz WSUULNJDVCALIC-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000419767575 420245699 /nfs/dbraw/zinc/24/56/99/420245699.db2.gz BZYSZWYNWQHDAK-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419701226 420246331 /nfs/dbraw/zinc/24/63/31/420246331.db2.gz YVTOBNHJDAMOBI-LLVKDONJSA-N 2 0 296.415 -0.027 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655412897 420247008 /nfs/dbraw/zinc/24/70/08/420247008.db2.gz BFDZEWKEGBOUTM-TZMCWYRMSA-N 2 0 266.389 -0.603 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655412895 420247039 /nfs/dbraw/zinc/24/70/39/420247039.db2.gz BFDZEWKEGBOUTM-JSGCOSHPSA-N 2 0 266.389 -0.603 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000420135568 420247726 /nfs/dbraw/zinc/24/77/26/420247726.db2.gz DXYPFKUVCYZCAO-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC[NH2+]1 ZINC000423731812 420257086 /nfs/dbraw/zinc/25/70/86/420257086.db2.gz YNHMLNVMYLWGMT-NWDGAFQWSA-N 2 0 282.388 -0.641 20 0 CBADRP [NH3+]C[C@H](NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)C(F)(F)F ZINC000655514843 420261827 /nfs/dbraw/zinc/26/18/27/420261827.db2.gz DMNCXBPNNQGQAL-ZKWXMUAHSA-N 2 0 251.252 -0.008 20 0 CBADRP [NH3+]C[C@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000655514868 420262331 /nfs/dbraw/zinc/26/23/31/420262331.db2.gz FMIJKMNCFWNUQV-SFYZADRCSA-N 2 0 296.293 -0.750 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)C[C@@H]2C[NH2+]CCO2)n1 ZINC000430871736 420273096 /nfs/dbraw/zinc/27/30/96/420273096.db2.gz FJONUFOULKVVES-LLVKDONJSA-N 2 0 281.360 -0.238 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655923686 420279208 /nfs/dbraw/zinc/27/92/08/420279208.db2.gz BICUMWUJFJFQIH-APPZFPTMSA-N 2 0 284.282 -0.758 20 0 CBADRP Cn1cnnc1N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000655931602 420280632 /nfs/dbraw/zinc/28/06/32/420280632.db2.gz LYBROVIGNKRRIK-UHFFFAOYSA-N 2 0 264.377 -0.063 20 0 CBADRP [NH3+]C[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)C(F)(F)F ZINC000655929600 420281303 /nfs/dbraw/zinc/28/13/03/420281303.db2.gz VPJPCMLCDGGCIU-VIFPVBQESA-N 2 0 298.309 -0.103 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000655960885 420282927 /nfs/dbraw/zinc/28/29/27/420282927.db2.gz BROKGNHEQJOUNG-TXEJJXNPSA-N 2 0 297.403 -0.942 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000655970781 420284740 /nfs/dbraw/zinc/28/47/40/420284740.db2.gz LUOWHYOAFUDKBE-TXEJJXNPSA-N 2 0 282.388 -0.290 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000655969179 420284943 /nfs/dbraw/zinc/28/49/43/420284943.db2.gz GENWWWFDLJBFQA-GRYCIOLGSA-N 2 0 270.377 -0.386 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655968910 420285201 /nfs/dbraw/zinc/28/52/01/420285201.db2.gz AWRCOBSCEDGSDN-MROQNXINSA-N 2 0 282.388 -0.426 20 0 CBADRP C[C@H]1C[C@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]1 ZINC000655967024 420285336 /nfs/dbraw/zinc/28/53/36/420285336.db2.gz KRMQVCHBISJGBI-QNWHQSFQSA-N 2 0 282.388 -0.413 20 0 CBADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1CC(=O)N1CCN(C)CC1 ZINC000399150943 420218143 /nfs/dbraw/zinc/21/81/43/420218143.db2.gz GAXXUTFUFQLVFB-VXGBXAGGSA-N 2 0 255.362 -0.394 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656305581 420306223 /nfs/dbraw/zinc/30/62/23/420306223.db2.gz SFRLGMFFCDLETQ-RWMBFGLXSA-N 2 0 298.431 -0.101 20 0 CBADRP CN(CCC[NH3+])Cc1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656467838 420311347 /nfs/dbraw/zinc/31/13/47/420311347.db2.gz SXWRRCOGHMUXBZ-GFCCVEGCSA-N 2 0 252.366 -0.017 20 0 CBADRP C[NH+]1CCN(Cc2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000656468315 420312223 /nfs/dbraw/zinc/31/22/23/420312223.db2.gz KFGOERBKHQNHSQ-ZDUSSCGKSA-N 2 0 264.377 -0.050 20 0 CBADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000516768670 420363108 /nfs/dbraw/zinc/36/31/08/420363108.db2.gz PXFKBEBADHAMNM-WDEREUQCSA-N 2 0 282.388 -0.641 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(C[C@@H]1C[NH2+]CCO1)C2=O ZINC000656611520 420318616 /nfs/dbraw/zinc/31/86/16/420318616.db2.gz KHIXRLJPIVZXCW-MJVIPROJSA-N 2 0 296.371 -0.586 20 0 CBADRP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC000656792522 420322250 /nfs/dbraw/zinc/32/22/50/420322250.db2.gz RVXZSFLHTPWTQP-XQQFMLRXSA-N 2 0 288.413 -0.270 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000516768332 420363531 /nfs/dbraw/zinc/36/35/31/420363531.db2.gz FILBBPFUEUYWQC-NSHDSACASA-N 2 0 255.362 -0.272 20 0 CBADRP C[C@@H](Cn1cncn1)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000657873048 420363726 /nfs/dbraw/zinc/36/37/26/420363726.db2.gz QXLANAYGROFRPD-STQMWFEESA-N 2 0 294.403 -0.156 20 0 CBADRP O=C1NC[C@H]2C[N@H+](CCC3CC[NH2+]CC3)CCN2C1=O ZINC000516770653 420364231 /nfs/dbraw/zinc/36/42/31/420364231.db2.gz FWPMWCSGJPOCBR-LBPRGKRZSA-N 2 0 280.372 -0.981 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N[C@H](CO)CN2CCOCC2)CC[N@@H+]1C ZINC000508342522 420354061 /nfs/dbraw/zinc/35/40/61/420354061.db2.gz ZQLHGRWZSGAHGA-IHRRRGAJSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000656022031 420294034 /nfs/dbraw/zinc/29/40/34/420294034.db2.gz SBOXKTPCYXDJIJ-WUHRBBMRSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656024439 420294066 /nfs/dbraw/zinc/29/40/66/420294066.db2.gz PMKGHIVHDOPNMQ-WHOHXGKFSA-N 2 0 284.404 -0.315 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656022147 420294190 /nfs/dbraw/zinc/29/41/90/420294190.db2.gz SUKOFFBYRMXIOT-BETUJISGSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000656042029 420294811 /nfs/dbraw/zinc/29/48/11/420294811.db2.gz UHJDUMSPGAIGSO-RWMBFGLXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656025988 420294903 /nfs/dbraw/zinc/29/49/03/420294903.db2.gz YPNPVNYYIKODJD-NDBYEHHHSA-N 2 0 296.415 -0.443 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H](C)C[NH2+]1 ZINC000656042825 420295010 /nfs/dbraw/zinc/29/50/10/420295010.db2.gz VOMRGIPSKIPRFY-ZDEQEGDKSA-N 2 0 296.415 -0.348 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656040592 420295373 /nfs/dbraw/zinc/29/53/73/420295373.db2.gz MJSGIISDEHENOX-UTUOFQBUSA-N 2 0 282.388 -0.737 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000447436608 420295533 /nfs/dbraw/zinc/29/55/33/420295533.db2.gz ALZWCQICEQMPJV-JTQLQIEISA-N 2 0 269.349 -0.253 20 0 CBADRP CCOC(=O)CCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000517127805 420372495 /nfs/dbraw/zinc/37/24/95/420372495.db2.gz PCKIWBZGBQGCSV-ZDUSSCGKSA-N 2 0 287.404 -0.472 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000517234742 420373305 /nfs/dbraw/zinc/37/33/05/420373305.db2.gz OMCIFPPQJYIZQD-VXGBXAGGSA-N 2 0 292.387 -0.146 20 0 CBADRP C[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1CC([NH3+])C1 ZINC000517236073 420374798 /nfs/dbraw/zinc/37/47/98/420374798.db2.gz JBLZOXJNCBGJKG-UNXYVOJBSA-N 2 0 254.378 -0.395 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000517338034 420374818 /nfs/dbraw/zinc/37/48/18/420374818.db2.gz BEYFXGUMXGYHNI-BNOWGMLFSA-N 2 0 295.431 -0.328 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)c1ccccc1CC[NH3+] ZINC000517953938 420380169 /nfs/dbraw/zinc/38/01/69/420380169.db2.gz RWDUMVNJQAGQGW-ZDUSSCGKSA-N 2 0 276.384 -0.179 20 0 CBADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000658529626 420381330 /nfs/dbraw/zinc/38/13/30/420381330.db2.gz DMFDBFZFNPOOSK-ZDUSSCGKSA-N 2 0 296.415 -0.441 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000518735677 420382367 /nfs/dbraw/zinc/38/23/67/420382367.db2.gz UVOPXGYZHYJWPB-NEPJUHHUSA-N 2 0 254.378 -0.462 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC[C@@H]1CCC[NH2+]C1 ZINC000519641365 420383133 /nfs/dbraw/zinc/38/31/33/420383133.db2.gz GNTYWDRZBDHYFV-STQMWFEESA-N 2 0 296.415 -0.249 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000519712933 420385596 /nfs/dbraw/zinc/38/55/96/420385596.db2.gz OKDFCCXJZNUHOC-AGIUHOORSA-N 2 0 296.415 -0.312 20 0 CBADRP CC[C@@H](C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)[NH+](C)C ZINC000519765051 420388224 /nfs/dbraw/zinc/38/82/24/420388224.db2.gz DCRLKWXKAHPJBG-JSGCOSHPSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674289312 544902465 /nfs/dbraw/zinc/90/24/65/544902465.db2.gz DMMMTSJIGDATHF-LBPRGKRZSA-N 2 0 256.394 -0.310 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@H]([NH2+]C[C@H]2CCCCO2)C1=O ZINC000516935306 420367529 /nfs/dbraw/zinc/36/75/29/420367529.db2.gz SCMFGFWYJNOXSZ-NEPJUHHUSA-N 2 0 283.372 -0.166 20 0 CBADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)c1cn(CC[NH3+])nn1 ZINC000659292753 420407355 /nfs/dbraw/zinc/40/73/55/420407355.db2.gz UQAKWSYCSJQQLD-LBPRGKRZSA-N 2 0 268.365 -0.270 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000659304408 420408069 /nfs/dbraw/zinc/40/80/69/420408069.db2.gz TXPOSAIJWOAIRT-KOLCDFICSA-N 2 0 266.349 -0.421 20 0 CBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000659320135 420411564 /nfs/dbraw/zinc/41/15/64/420411564.db2.gz ZIEBINQESQBQAX-SECBINFHSA-N 2 0 252.322 -0.893 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000677868606 544987989 /nfs/dbraw/zinc/98/79/89/544987989.db2.gz JDGFAUPQIFTGJC-OLZOCXBDSA-N 2 0 266.389 -0.413 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NCC[N@@H+]2CCCOCC2)CC[C@H]1F ZINC000659496563 420424389 /nfs/dbraw/zinc/42/43/89/420424389.db2.gz RNXCSIPNJPITNF-VXGBXAGGSA-N 2 0 288.367 -0.211 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000548017410 420420663 /nfs/dbraw/zinc/42/06/63/420420663.db2.gz AMKFPEMKGDWMSH-GHMZBOCLSA-N 2 0 295.412 0.451 20 0 CBADRP C[C@@H]1CCCN(C(=O)c2cn(CC[NH3+])nn2)[C@H]1CC[NH3+] ZINC000659327728 420413187 /nfs/dbraw/zinc/41/31/87/420413187.db2.gz HBBUEWIHDUSCBF-PWSUYJOCSA-N 2 0 280.376 -0.174 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659357587 420414026 /nfs/dbraw/zinc/41/40/26/420414026.db2.gz KIADLZAMMSYDMC-NSHDSACASA-N 2 0 272.393 -0.680 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)C1 ZINC000659567904 420435153 /nfs/dbraw/zinc/43/51/53/420435153.db2.gz GUFDGSSMRSPWOG-KBPBESRZSA-N 2 0 295.431 -0.230 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000659608455 420437066 /nfs/dbraw/zinc/43/70/66/420437066.db2.gz DDKPIUVIICQNFF-RYUDHWBXSA-N 2 0 270.377 -0.160 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NCC[NH3+])CCO1 ZINC000659507378 420425667 /nfs/dbraw/zinc/42/56/67/420425667.db2.gz JOHBRNNMPVWYDK-LLVKDONJSA-N 2 0 258.366 -0.303 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000659518227 420427195 /nfs/dbraw/zinc/42/71/95/420427195.db2.gz WWDLOQZVSCGXPC-GFCCVEGCSA-N 2 0 299.419 -0.600 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659528195 420428521 /nfs/dbraw/zinc/42/85/21/420428521.db2.gz BDYPHUAIRNYWJY-LLVKDONJSA-N 2 0 287.408 -0.615 20 0 CBADRP C[C@@H](C(=O)N1CC[C@@H](OCCN2CCOCC2)C1)[NH+](C)C ZINC000679237604 545024794 /nfs/dbraw/zinc/02/47/94/545024794.db2.gz RLPHDSKVTXGSKS-UONOGXRCSA-N 2 0 299.415 -0.114 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659527091 420429022 /nfs/dbraw/zinc/42/90/22/420429022.db2.gz HYFUBEFCOXZOFN-NXEZZACHSA-N 2 0 262.329 -0.697 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)CCO1 ZINC000659611601 420437506 /nfs/dbraw/zinc/43/75/06/420437506.db2.gz OIAINRLRNGYQLR-YLXHPXFOSA-N 2 0 268.361 -0.504 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000377138761 230277600 /nfs/dbraw/zinc/27/76/00/230277600.db2.gz FYMNSPQAZVRNAG-GRYCIOLGSA-N 2 0 253.346 -0.282 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000659537966 420431241 /nfs/dbraw/zinc/43/12/41/420431241.db2.gz MYVKVUTYBFEQGQ-RKDXNWHRSA-N 2 0 294.359 -0.290 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000659539312 420431636 /nfs/dbraw/zinc/43/16/36/420431636.db2.gz KHTYJNKOXJATTH-LLVKDONJSA-N 2 0 272.393 -0.090 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000417851652 287631741 /nfs/dbraw/zinc/63/17/41/287631741.db2.gz NIHITJACCBVEHJ-MCIONIFRSA-N 2 0 280.416 -0.119 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC[C@H]1F ZINC000659550680 420432286 /nfs/dbraw/zinc/43/22/86/420432286.db2.gz TVPRCXUKJDNPNE-GMTAPVOTSA-N 2 0 274.340 -0.554 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659549898 420432611 /nfs/dbraw/zinc/43/26/11/420432611.db2.gz UKUUFNMUFPKCLW-IGQOVBAYSA-N 2 0 294.399 -0.243 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659549903 420432633 /nfs/dbraw/zinc/43/26/33/420432633.db2.gz UKUUFNMUFPKCLW-MQYQWHSLSA-N 2 0 294.399 -0.243 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000659552932 420432968 /nfs/dbraw/zinc/43/29/68/420432968.db2.gz GWEUOEOVIFGOPE-VXGBXAGGSA-N 2 0 270.377 -0.242 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000680827756 545040893 /nfs/dbraw/zinc/04/08/93/545040893.db2.gz LSLILCLCGWFOOF-DGCLKSJQSA-N 2 0 255.362 -0.347 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000680833513 545041177 /nfs/dbraw/zinc/04/11/77/545041177.db2.gz ZMTHAZRLPVZEIB-AAEUAGOBSA-N 2 0 270.377 -0.554 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000659750508 420467570 /nfs/dbraw/zinc/46/75/70/420467570.db2.gz OOCZEVOVWYBDBJ-OLZOCXBDSA-N 2 0 298.431 -0.195 20 0 CBADRP CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000683230081 545063457 /nfs/dbraw/zinc/06/34/57/545063457.db2.gz UDLOJVBYKHGNLJ-NWDGAFQWSA-N 2 0 292.449 -0.109 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000659753653 420468446 /nfs/dbraw/zinc/46/84/46/420468446.db2.gz QZWVHYBDHVLOSO-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000659754319 420468512 /nfs/dbraw/zinc/46/85/12/420468512.db2.gz DUYKXEORLKTDNG-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000659752818 420468611 /nfs/dbraw/zinc/46/86/11/420468611.db2.gz NWEHQXSFGKNQQP-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000659756711 420468866 /nfs/dbraw/zinc/46/88/66/420468866.db2.gz SHMYEPZSWVVAOO-AVGNSLFASA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659755708 420469343 /nfs/dbraw/zinc/46/93/43/420469343.db2.gz ZFNRNOQVQUBCHT-JQWIXIFHSA-N 2 0 282.388 -0.594 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)C[NH2+]C)[C@H](C)C1 ZINC000659756358 420469391 /nfs/dbraw/zinc/46/93/91/420469391.db2.gz QWDBZSJAGTWYKO-AGIUHOORSA-N 2 0 298.431 -0.101 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000659610168 420437829 /nfs/dbraw/zinc/43/78/29/420437829.db2.gz LZWXNKUVNNYIFK-STQMWFEESA-N 2 0 283.420 -0.245 20 0 CBADRP C[NH+]1CCC(O)(CNC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659616338 420438557 /nfs/dbraw/zinc/43/85/57/420438557.db2.gz GCLGEOOPFOLYCV-UHFFFAOYSA-N 2 0 282.388 -0.506 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H]1C ZINC000659628881 420439141 /nfs/dbraw/zinc/43/91/41/420439141.db2.gz LIYMQIXLQXKTRD-IUCAKERBSA-N 2 0 294.359 -0.467 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659620929 420439242 /nfs/dbraw/zinc/43/92/42/420439242.db2.gz SRNXEDUAHNKICQ-SNVBAGLBSA-N 2 0 296.375 -0.187 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000493968597 230341401 /nfs/dbraw/zinc/34/14/01/230341401.db2.gz LDYFHAUBCMIZPC-WOPDTQHZSA-N 2 0 256.394 -0.278 20 0 CBADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CC2(CC(N)=O)CC2)C[C@H](C)O1 ZINC000564724174 420439461 /nfs/dbraw/zinc/43/94/61/420439461.db2.gz XSBKUHSYYZHQIH-FRRDWIJNSA-N 2 0 299.415 -0.298 20 0 CBADRP CC(C)[NH2+]CC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000565248820 420441646 /nfs/dbraw/zinc/44/16/46/420441646.db2.gz DXLKPRBZNXBEPA-UHFFFAOYSA-N 2 0 253.350 0.381 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000659642074 420443263 /nfs/dbraw/zinc/44/32/63/420443263.db2.gz JCANQHDGGBWKRW-VXGBXAGGSA-N 2 0 272.393 -0.260 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000659641847 420443667 /nfs/dbraw/zinc/44/36/67/420443667.db2.gz ISGLXTULKMZKAT-VXGBXAGGSA-N 2 0 272.393 -0.260 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000659643108 420443750 /nfs/dbraw/zinc/44/37/50/420443750.db2.gz NPMQLVXBQYGAQB-RYUDHWBXSA-N 2 0 284.404 -0.009 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000566286189 420444561 /nfs/dbraw/zinc/44/45/61/420444561.db2.gz HSQMRDLZMMBOJF-WDEREUQCSA-N 2 0 281.360 -0.240 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCCn1ccnc1 ZINC000659673385 420446626 /nfs/dbraw/zinc/44/66/26/420446626.db2.gz CHONDERBEBMPQQ-LLVKDONJSA-N 2 0 281.360 -0.496 20 0 CBADRP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659676019 420446823 /nfs/dbraw/zinc/44/68/23/420446823.db2.gz CVVBFRIITDCRNC-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)CC[N@@H+]1C ZINC000659677642 420448054 /nfs/dbraw/zinc/44/80/54/420448054.db2.gz GLSJREAZQJUQAP-NEPJUHHUSA-N 2 0 296.415 -0.027 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000659677529 420448086 /nfs/dbraw/zinc/44/80/86/420448086.db2.gz DMLJJLTZWBRJII-HBNTYKKESA-N 2 0 270.377 -0.691 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000659684744 420448554 /nfs/dbraw/zinc/44/85/54/420448554.db2.gz KWADVBUYBWYBRT-GFCCVEGCSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659686875 420449110 /nfs/dbraw/zinc/44/91/10/420449110.db2.gz LWEWDBCNAXTLRT-IFQILLTASA-N 2 0 282.388 -0.689 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659687101 420449359 /nfs/dbraw/zinc/44/93/59/420449359.db2.gz QOSUJDQDVBREHA-NXEZZACHSA-N 2 0 268.361 -0.937 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000659694937 420450522 /nfs/dbraw/zinc/45/05/22/420450522.db2.gz TWEWOBLPYWGKFX-SNVBAGLBSA-N 2 0 270.377 -0.689 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000659694470 420451278 /nfs/dbraw/zinc/45/12/78/420451278.db2.gz UECPAEDQJAHWKB-GARJFASQSA-N 2 0 282.388 -0.548 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000659699523 420452113 /nfs/dbraw/zinc/45/21/13/420452113.db2.gz WIXCFAMYRQQDGV-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659703298 420452654 /nfs/dbraw/zinc/45/26/54/420452654.db2.gz YEAMTFHOYXOERZ-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659708480 420453723 /nfs/dbraw/zinc/45/37/23/420453723.db2.gz SHMFMWWTCKMBRC-UHFFFAOYSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH2+]C)C1 ZINC000659709886 420453865 /nfs/dbraw/zinc/45/38/65/420453865.db2.gz JSNYCECDROQUON-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000659709384 420453909 /nfs/dbraw/zinc/45/39/09/420453909.db2.gz IBNURPJTIHMWEP-LBPRGKRZSA-N 2 0 296.415 -0.156 20 0 CBADRP [NH3+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659711286 420455416 /nfs/dbraw/zinc/45/54/16/420455416.db2.gz YXIRQNLLGKOILX-NSHDSACASA-N 2 0 282.388 -0.416 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659713180 420456022 /nfs/dbraw/zinc/45/60/22/420456022.db2.gz FBFYQHREDOBGPU-QWRGUYRKSA-N 2 0 268.361 -0.935 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)[NH3+])C1 ZINC000659715464 420456822 /nfs/dbraw/zinc/45/68/22/420456822.db2.gz PFQCAWYSQVBCPG-ZJUUUORDSA-N 2 0 256.350 -0.950 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659715527 420457343 /nfs/dbraw/zinc/45/73/43/420457343.db2.gz PTMXBUJDMUQOJJ-UWVGGRQHSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659716261 420458160 /nfs/dbraw/zinc/45/81/60/420458160.db2.gz VVHACMRSBFGWAL-NWDGAFQWSA-N 2 0 296.415 -0.027 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000659717112 420458433 /nfs/dbraw/zinc/45/84/33/420458433.db2.gz ZWRYHMQDVDTYCL-AVGNSLFASA-N 2 0 296.415 -0.027 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000659717111 420458558 /nfs/dbraw/zinc/45/85/58/420458558.db2.gz ZWRYHMQDVDTYCL-AGIUHOORSA-N 2 0 296.415 -0.027 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000659720271 420458655 /nfs/dbraw/zinc/45/86/55/420458655.db2.gz RXRZQZUPIIPKMH-RYUDHWBXSA-N 2 0 296.415 -0.171 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000659720870 420458730 /nfs/dbraw/zinc/45/87/30/420458730.db2.gz FXPGMIXGGGQZCY-RWMBFGLXSA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000659722135 420458905 /nfs/dbraw/zinc/45/89/05/420458905.db2.gz MQSKRJJUHFAKIM-XQQFMLRXSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659719326 420459406 /nfs/dbraw/zinc/45/94/06/420459406.db2.gz WBOJNFKCXVXUJD-VXGBXAGGSA-N 2 0 296.415 -0.027 20 0 CBADRP CC(C)([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659719614 420459455 /nfs/dbraw/zinc/45/94/55/420459455.db2.gz IOBXNDFTBOKGQO-JTQLQIEISA-N 2 0 284.404 -0.171 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659731446 420460841 /nfs/dbraw/zinc/46/08/41/420460841.db2.gz FYGOPRUOYFEYIN-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659727523 420461471 /nfs/dbraw/zinc/46/14/71/420461471.db2.gz QMXMHOZLRLEDHC-TXEJJXNPSA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659735231 420462520 /nfs/dbraw/zinc/46/25/20/420462520.db2.gz QKCVAXOFWILOJM-NSHDSACASA-N 2 0 282.388 -0.416 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659736508 420462765 /nfs/dbraw/zinc/46/27/65/420462765.db2.gz MZFXBKSQHFQLQV-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000659738869 420463157 /nfs/dbraw/zinc/46/31/57/420463157.db2.gz JKAJTEPEGWLAKB-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000659738136 420463679 /nfs/dbraw/zinc/46/36/79/420463679.db2.gz AIVZCIYSNAADMU-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000659738180 420463781 /nfs/dbraw/zinc/46/37/81/420463781.db2.gz BEEVMHMUEKHYQL-QWRGUYRKSA-N 2 0 268.361 -0.854 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659741253 420464111 /nfs/dbraw/zinc/46/41/11/420464111.db2.gz SOHCWRUAPKGTLV-MQYJIDSJSA-N 2 0 294.399 -0.593 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)C1 ZINC000659739254 420464571 /nfs/dbraw/zinc/46/45/71/420464571.db2.gz PEASEHIVTXDEFC-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000659739308 420464791 /nfs/dbraw/zinc/46/47/91/420464791.db2.gz QQFRZYUQPCCXNF-NSHDSACASA-N 2 0 268.361 -0.981 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000659741946 420464889 /nfs/dbraw/zinc/46/48/89/420464889.db2.gz RIUFWWRQNKQYSZ-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000659739486 420464981 /nfs/dbraw/zinc/46/49/81/420464981.db2.gz VRLBTVPICYSMCI-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)N[C@H]2CC[NH2+]C2)n1 ZINC000584541626 420476208 /nfs/dbraw/zinc/47/62/08/420476208.db2.gz QWZSNUCQFDJRCU-JTQLQIEISA-N 2 0 266.349 -0.072 20 0 CBADRP CC(C)[N@H+](C)C[C@H](O)CN(C)[C@]1(CO)CCOC1 ZINC000660240027 420487392 /nfs/dbraw/zinc/48/73/92/420487392.db2.gz UTLFRCIGWBALMV-STQMWFEESA-N 2 0 260.378 -0.229 20 0 CBADRP CC(C)[N@H+](C)C[C@@H](O)CN(C)[C@@]1(CO)CCOC1 ZINC000660240024 420487455 /nfs/dbraw/zinc/48/74/55/420487455.db2.gz UTLFRCIGWBALMV-CHWSQXEVSA-N 2 0 260.378 -0.229 20 0 CBADRP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+](CCO)[C@H](C)C1 ZINC000660332987 420489442 /nfs/dbraw/zinc/48/94/42/420489442.db2.gz ZCEBSFQWCSGOKD-KGLIPLIRSA-N 2 0 273.421 -0.314 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000521041550 260031573 /nfs/dbraw/zinc/03/15/73/260031573.db2.gz PNRFPIQGYPCGNH-RYUDHWBXSA-N 2 0 282.388 -0.558 20 0 CBADRP CCC[C@H](O)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000517936199 260321285 /nfs/dbraw/zinc/32/12/85/260321285.db2.gz SHZJSOQSFLLDNL-QWHCGFSZSA-N 2 0 259.394 -0.655 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000517938223 260322303 /nfs/dbraw/zinc/32/23/03/260322303.db2.gz BMSFDHCRJCHSKW-WDEREUQCSA-N 2 0 269.345 -0.380 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000517938221 260322317 /nfs/dbraw/zinc/32/23/17/260322317.db2.gz BMSFDHCRJCHSKW-MNOVXSKESA-N 2 0 269.345 -0.380 20 0 CBADRP CC(C)[NH2+]CC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000518218710 260358969 /nfs/dbraw/zinc/35/89/69/260358969.db2.gz RGLCFZCXZNLFRG-LBPRGKRZSA-N 2 0 284.404 -0.170 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CNC(C)(C)C[NH+](C)C ZINC000308637225 260393238 /nfs/dbraw/zinc/39/32/38/260393238.db2.gz PPVQEPAGZMRWCK-GFCCVEGCSA-N 2 0 261.410 -0.145 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000519712991 265546673 /nfs/dbraw/zinc/54/66/73/265546673.db2.gz OKDFCCXJZNUHOC-AVGNSLFASA-N 2 0 296.415 -0.312 20 0 CBADRP [NH3+]CC1(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)CCCC1 ZINC000520227662 265694243 /nfs/dbraw/zinc/69/42/43/265694243.db2.gz XBQSVXZBBZZKCH-UHFFFAOYSA-N 2 0 293.375 -0.328 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000518500080 269599538 /nfs/dbraw/zinc/59/95/38/269599538.db2.gz ZBAMPBXTQOGYRT-XQQFMLRXSA-N 2 0 283.420 -0.199 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000522138506 269607779 /nfs/dbraw/zinc/60/77/79/269607779.db2.gz UQVJJQVXSDGCCS-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)NC[C@@H]1COCC[NH2+]1 ZINC000529328802 269630796 /nfs/dbraw/zinc/63/07/96/269630796.db2.gz HFXAKAWGBUTPAE-LLVKDONJSA-N 2 0 256.350 -0.726 20 0 CBADRP C[C@@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@@H]1[NH3+] ZINC000347057380 274357744 /nfs/dbraw/zinc/35/77/44/274357744.db2.gz VYUDCKMYQNKYSP-KOLCDFICSA-N 2 0 266.345 -0.747 20 0 CBADRP CC(C)[C@H]1CN(C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000418777523 276030169 /nfs/dbraw/zinc/03/01/69/276030169.db2.gz YNWXUDUNYZHFFT-CHWSQXEVSA-N 2 0 284.404 -0.044 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)CCOC1C[NH2+]C1 ZINC000359196664 276032348 /nfs/dbraw/zinc/03/23/48/276032348.db2.gz MEYPJUCUEILSPO-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)COC2C[NH2+]C2)C1 ZINC000430784630 276071983 /nfs/dbraw/zinc/07/19/83/276071983.db2.gz QZUGIMYPQRZULN-NSHDSACASA-N 2 0 255.362 -0.225 20 0 CBADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1C(=O)NC ZINC000515666226 276073859 /nfs/dbraw/zinc/07/38/59/276073859.db2.gz QLWBRSUGXWKVGZ-GRYCIOLGSA-N 2 0 257.378 -0.197 20 0 CBADRP CC[N@H+](CC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000343590203 276083643 /nfs/dbraw/zinc/08/36/43/276083643.db2.gz TVRRYDOGDHBLLR-ZDUSSCGKSA-N 2 0 296.415 -0.073 20 0 CBADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)COC1C[NH2+]C1 ZINC000430723694 276106620 /nfs/dbraw/zinc/10/66/20/276106620.db2.gz SVZDGIFOZIABBB-LLVKDONJSA-N 2 0 255.362 -0.131 20 0 CBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000353590645 276200299 /nfs/dbraw/zinc/20/02/99/276200299.db2.gz ANZLTZRHPMUBCR-UONOGXRCSA-N 2 0 280.416 -0.023 20 0 CBADRP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)C1 ZINC000422541507 276214568 /nfs/dbraw/zinc/21/45/68/276214568.db2.gz LXVVTAFUUQSORZ-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CCCC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000353594841 276243729 /nfs/dbraw/zinc/24/37/29/276243729.db2.gz YYUJGHKXXFNBLP-RYUDHWBXSA-N 2 0 284.404 -0.040 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419767911 276338249 /nfs/dbraw/zinc/33/82/49/276338249.db2.gz BHVZCTLBUAVZQY-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262566803 276364133 /nfs/dbraw/zinc/36/41/33/276364133.db2.gz YCGVRGSVGDZQPQ-GRYCIOLGSA-N 2 0 255.362 -0.300 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420040491 276378400 /nfs/dbraw/zinc/37/84/00/276378400.db2.gz OXQSWGLBEXBZFI-RYUDHWBXSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)Cc1ccccc1 ZINC000237201094 276863167 /nfs/dbraw/zinc/86/31/67/276863167.db2.gz XVNSRKWZIMMUCS-RRFJBIMHSA-N 2 0 291.395 -0.002 20 0 CBADRP CC(C)(C(N)=O)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000262225734 277126115 /nfs/dbraw/zinc/12/61/15/277126115.db2.gz NEAYRRRQWQJSHO-UHFFFAOYSA-N 2 0 268.405 -0.133 20 0 CBADRP COC[C@@H]([NH3+])C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000262303575 277246779 /nfs/dbraw/zinc/24/67/79/277246779.db2.gz OCZKAERKAXXJBP-UONOGXRCSA-N 2 0 298.431 -0.411 20 0 CBADRP C[NH2+]CC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000193139229 277264493 /nfs/dbraw/zinc/26/44/93/277264493.db2.gz SOCNPYBRXBUPHI-KBPBESRZSA-N 2 0 277.368 -0.043 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000419555598 277266901 /nfs/dbraw/zinc/26/69/01/277266901.db2.gz JMKAJDLLTXILLQ-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419698143 277269205 /nfs/dbraw/zinc/26/92/05/277269205.db2.gz SBSODBUPJPYDRC-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000262536647 277385897 /nfs/dbraw/zinc/38/58/97/277385897.db2.gz QKSJTBGDZMYRSW-CHWSQXEVSA-N 2 0 269.389 -0.054 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000351996819 277481300 /nfs/dbraw/zinc/48/13/00/277481300.db2.gz VRDMTKQJBPDWNT-PWSUYJOCSA-N 2 0 272.393 -0.425 20 0 CBADRP CC(=O)NC[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000178973807 278123875 /nfs/dbraw/zinc/12/38/75/278123875.db2.gz JFKQGWZFYMNPEY-ZDUSSCGKSA-N 2 0 255.362 -0.177 20 0 CBADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000430689283 278221585 /nfs/dbraw/zinc/22/15/85/278221585.db2.gz CXKDLQTVOLLHOR-NWDGAFQWSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[N@H+](C)C1CC1 ZINC000419591452 278268804 /nfs/dbraw/zinc/26/88/04/278268804.db2.gz RCXHDZXANKAGIQ-WOPDTQHZSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)CCOC2C[NH2+]C2)C[C@H]1C ZINC000348988559 278290609 /nfs/dbraw/zinc/29/06/09/278290609.db2.gz BAVJCBLPNDRYME-NEPJUHHUSA-N 2 0 285.388 -0.722 20 0 CBADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NC(N)=O)CC1 ZINC000105862082 278395138 /nfs/dbraw/zinc/39/51/38/278395138.db2.gz YXKLOUSAJYYQQD-SNVBAGLBSA-N 2 0 286.376 -0.794 20 0 CBADRP CC(C)([NH3+])CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000420074960 278627644 /nfs/dbraw/zinc/62/76/44/278627644.db2.gz ITYRMMSKXVUXSH-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000487168353 288096875 /nfs/dbraw/zinc/09/68/75/288096875.db2.gz ZWBMIZHGCQGYDR-NQBHXWOUSA-N 2 0 255.362 -0.633 20 0 CBADRP CC[NH+](CC)CC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000353057355 279086369 /nfs/dbraw/zinc/08/63/69/279086369.db2.gz DLFIEXVGFXFNKS-UHFFFAOYSA-N 2 0 270.377 -0.782 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000418950085 279113874 /nfs/dbraw/zinc/11/38/74/279113874.db2.gz SGYMTWHHDHETGO-GHMZBOCLSA-N 2 0 272.393 -0.362 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000420075778 279148972 /nfs/dbraw/zinc/14/89/72/279148972.db2.gz KTWXLUFJQQQOFF-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000353587486 279177114 /nfs/dbraw/zinc/17/71/14/279177114.db2.gz HCOPUKRDRNQZQZ-NWDGAFQWSA-N 2 0 284.404 -0.184 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N(C)CCC[NH2+]C)C1CC1 ZINC000419528911 279189495 /nfs/dbraw/zinc/18/94/95/279189495.db2.gz WYRANWSNHPVMBU-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CC(C)C[C@](C)(C[NH3+])NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000351993836 279235601 /nfs/dbraw/zinc/23/56/01/279235601.db2.gz LANMXYCUWRVEIC-GXTWGEPZSA-N 2 0 286.420 -0.034 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419341159 288115092 /nfs/dbraw/zinc/11/50/92/288115092.db2.gz YAJGTLHPRHORSR-PWSUYJOCSA-N 2 0 294.399 -0.417 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419338006 288115784 /nfs/dbraw/zinc/11/57/84/288115784.db2.gz RRFQAWYDHDNRNA-MDZLAQPJSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333430222 288116353 /nfs/dbraw/zinc/11/63/53/288116353.db2.gz UKYMFWUVUNNATP-IXOXFDKPSA-N 2 0 282.388 -0.557 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419595434 279268610 /nfs/dbraw/zinc/26/86/10/279268610.db2.gz WUIVINNZZOENTC-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419985131 279323969 /nfs/dbraw/zinc/32/39/69/279323969.db2.gz WLGMHARYVVYOAJ-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262075541 279351503 /nfs/dbraw/zinc/35/15/03/279351503.db2.gz PUSNVNIOZVZZNK-CYBMUJFWSA-N 2 0 268.405 -0.167 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000341060461 279352492 /nfs/dbraw/zinc/35/24/92/279352492.db2.gz NWKGHCLNRSKCQO-LBPRGKRZSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000353590644 279367946 /nfs/dbraw/zinc/36/79/46/279367946.db2.gz ANZLTZRHPMUBCR-KGLIPLIRSA-N 2 0 280.416 -0.023 20 0 CBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C3C[NH2+]C3)C2)CC1 ZINC000263333105 279370588 /nfs/dbraw/zinc/37/05/88/279370588.db2.gz VMCUQDZKAXUCBZ-ZDUSSCGKSA-N 2 0 266.389 -0.556 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419333992 288126141 /nfs/dbraw/zinc/12/61/41/288126141.db2.gz MWLNWFQDTVTLSQ-OASPWFOLSA-N 2 0 294.399 -0.561 20 0 CBADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423201973 288132582 /nfs/dbraw/zinc/13/25/82/288132582.db2.gz JVHUQFIEZADJLS-TZMCWYRMSA-N 2 0 252.406 -0.036 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@H]1C[NH2+]CCN1C)[NH+](C)C ZINC000449695609 279790444 /nfs/dbraw/zinc/79/04/44/279790444.db2.gz IVKURAKWQIJRFM-NEPJUHHUSA-N 2 0 256.394 -0.408 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+](C)C ZINC000359228959 280078897 /nfs/dbraw/zinc/07/88/97/280078897.db2.gz JOJXLOUZUDFIDP-RYUDHWBXSA-N 2 0 256.394 -0.311 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000424200734 280143611 /nfs/dbraw/zinc/14/36/11/280143611.db2.gz RFZBLBUTPBGBPN-JHJVBQTASA-N 2 0 267.373 -0.035 20 0 CBADRP CC1(C)CCC[NH2+][C@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000417807770 280998003 /nfs/dbraw/zinc/99/80/03/280998003.db2.gz KLZIGQXJUYUEEJ-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[C@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@@H+]1C[C@@H](C)O ZINC000333850477 281138124 /nfs/dbraw/zinc/13/81/24/281138124.db2.gz PZCMQSRJJSAYKU-BJJPWKGXSA-N 2 0 296.415 -0.309 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000251929869 288304293 /nfs/dbraw/zinc/30/42/93/288304293.db2.gz YQOCELAMSDVQCB-DDHJBXDOSA-N 2 0 253.346 -0.596 20 0 CBADRP CC[C@]1(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CCC[NH2+]1 ZINC000122159653 281302070 /nfs/dbraw/zinc/30/20/70/281302070.db2.gz FUUSCTCJMWCLAO-TZMCWYRMSA-N 2 0 268.405 -0.119 20 0 CBADRP CC1CC[NH+](C[C@H](O)CNC(=O)NCCC[NH3+])CC1 ZINC000418315901 281822545 /nfs/dbraw/zinc/82/25/45/281822545.db2.gz WBIUXXOJNYKZQQ-GFCCVEGCSA-N 2 0 272.393 -0.273 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CCC1 ZINC000331930586 282026648 /nfs/dbraw/zinc/02/66/48/282026648.db2.gz WCGVEMLVMPCXNH-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)C1(CNC(=O)C[C@H]2COCC[NH2+]2)CCOCC1 ZINC000357235416 282030220 /nfs/dbraw/zinc/03/02/20/282030220.db2.gz DCTWWRQQOIMPQV-LBPRGKRZSA-N 2 0 285.388 -0.408 20 0 CBADRP C[C@@H]1C[C@H](C)N(C(=O)COC2C[NH2+]C2)C[C@H]1C[NH3+] ZINC000424051310 288657228 /nfs/dbraw/zinc/65/72/28/288657228.db2.gz IZYBUFSOXLHLRG-OUAUKWLOSA-N 2 0 255.362 -0.193 20 0 CBADRP C[NH+](C)C/C=C/C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000493320921 289038160 /nfs/dbraw/zinc/03/81/60/289038160.db2.gz MWWPFVOVKJTREB-RDFMZFSFSA-N 2 0 267.373 -0.323 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+](C)CC2)CCC1 ZINC000354791300 289043191 /nfs/dbraw/zinc/04/31/91/289043191.db2.gz NAPNUHZQHBXYDY-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)C1(CNC(=O)C[C@H]2C[NH2+]CCO2)CCOCC1 ZINC000430705603 289045380 /nfs/dbraw/zinc/04/53/80/289045380.db2.gz LJRHXVBAWAVPKX-LBPRGKRZSA-N 2 0 285.388 -0.408 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000237083170 289068589 /nfs/dbraw/zinc/06/85/89/289068589.db2.gz KBPIJAQFBGUSJF-ZDUSSCGKSA-N 2 0 268.405 -0.119 20 0 CBADRP C[NH+](C)CC(=O)N1CCCN(C(=O)C[NH+](C)C)CC1 ZINC000442679063 289073887 /nfs/dbraw/zinc/07/38/87/289073887.db2.gz MVUTZBYUPMNRTP-UHFFFAOYSA-N 2 0 270.377 -0.830 20 0 CBADRP C[NH+](C)C[C@@H]1CCCN1C(=O)CCOC1C[NH2+]C1 ZINC000423747119 289191127 /nfs/dbraw/zinc/19/11/27/289191127.db2.gz RUPOEPNWJCIRLF-NSHDSACASA-N 2 0 255.362 -0.083 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000362069621 289193351 /nfs/dbraw/zinc/19/33/51/289193351.db2.gz UPUJZEWRJJOXNS-KBPBESRZSA-N 2 0 297.447 -0.175 20 0 CBADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351860180 289276564 /nfs/dbraw/zinc/27/65/64/289276564.db2.gz HTEPZOICXRNCRQ-LOWDOPEQSA-N 2 0 296.415 -0.232 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000419895604 289290667 /nfs/dbraw/zinc/29/06/67/289290667.db2.gz MPHBQKXFKPPXJH-YNEHKIRRSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419142271 289304722 /nfs/dbraw/zinc/30/47/22/289304722.db2.gz VYUHRMNAXABXOG-YNEHKIRRSA-N 2 0 296.415 -0.171 20 0 CBADRP CN(C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333369662 289304734 /nfs/dbraw/zinc/30/47/34/289304734.db2.gz MFYLEBYETJHEJX-RNJOBUHISA-N 2 0 284.404 -0.167 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419860521 289368559 /nfs/dbraw/zinc/36/85/59/289368559.db2.gz KYQBWJYUVMUBPY-NWDGAFQWSA-N 2 0 282.388 -0.608 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000419135280 289375033 /nfs/dbraw/zinc/37/50/33/289375033.db2.gz KWIISFJPQXWOHU-MNOVXSKESA-N 2 0 284.404 -0.171 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000365333909 289380547 /nfs/dbraw/zinc/38/05/47/289380547.db2.gz YWEDQWQBSFOTBP-FIQHERPVSA-N 2 0 255.362 -0.302 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C1([NH3+])CCCC1 ZINC000225354664 290034459 /nfs/dbraw/zinc/03/44/59/290034459.db2.gz WQDYIHWNWAMWNY-NSHDSACASA-N 2 0 254.378 -0.380 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000449703781 290061159 /nfs/dbraw/zinc/06/11/59/290061159.db2.gz XHPXKTOUQNGFLW-YRGRVCCFSA-N 2 0 266.389 -0.604 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000449698970 290061314 /nfs/dbraw/zinc/06/13/14/290061314.db2.gz PDMUVIHFSZDAEK-DYEKYZERSA-N 2 0 268.405 -0.086 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000449703780 290062590 /nfs/dbraw/zinc/06/25/90/290062590.db2.gz XHPXKTOUQNGFLW-MBNYWOFBSA-N 2 0 266.389 -0.604 20 0 CBADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000178199323 290085068 /nfs/dbraw/zinc/08/50/68/290085068.db2.gz KZRSLRSXDMKSQD-WCQYABFASA-N 2 0 269.389 -0.101 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)[C@@H]2C1 ZINC000331995317 290148498 /nfs/dbraw/zinc/14/84/98/290148498.db2.gz BHSRVGKAWONGHD-FRRDWIJNSA-N 2 0 294.399 -0.593 20 0 CBADRP COC[C@H]([NH3+])C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000353801201 293117902 /nfs/dbraw/zinc/11/79/02/293117902.db2.gz ZZUIHBFDLKWLHD-SRVKXCTJSA-N 2 0 273.377 -0.424 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000580551640 335278766 /nfs/dbraw/zinc/27/87/66/335278766.db2.gz XFEWVTJWNGEHFR-GHMZBOCLSA-N 2 0 272.393 -0.362 20 0 CBADRP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332203245 295251949 /nfs/dbraw/zinc/25/19/49/295251949.db2.gz DKRBLBJGSWTNBR-RYUDHWBXSA-N 2 0 280.372 -0.757 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000424195404 295324589 /nfs/dbraw/zinc/32/45/89/295324589.db2.gz STNDMDDSQIKKNP-QCNOEVLYSA-N 2 0 253.346 -0.312 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000423151631 295339336 /nfs/dbraw/zinc/33/93/36/295339336.db2.gz KHHJQDCYHWDBRH-QWHCGFSZSA-N 2 0 294.399 -0.367 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000332196346 295339454 /nfs/dbraw/zinc/33/94/54/295339454.db2.gz QNMGWJLAUOPVJH-QWHCGFSZSA-N 2 0 294.399 -0.367 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000419700616 295339767 /nfs/dbraw/zinc/33/97/67/295339767.db2.gz XUDSSVAZZRNEHG-RYUDHWBXSA-N 2 0 294.399 -0.321 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000333520550 297093444 /nfs/dbraw/zinc/09/34/44/297093444.db2.gz KOZOAHAAGIHZPW-JHJVBQTASA-N 2 0 282.388 -0.147 20 0 CBADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CNC(=O)C[NH3+])C1 ZINC000262436587 297226857 /nfs/dbraw/zinc/22/68/57/297226857.db2.gz TYXVWYYYQKTGPF-VXGBXAGGSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000420030998 298536890 /nfs/dbraw/zinc/53/68/90/298536890.db2.gz RBFBVJFEBBGWIM-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000419134652 298538233 /nfs/dbraw/zinc/53/82/33/298538233.db2.gz KMTCXBSKCIEIGJ-GHMZBOCLSA-N 2 0 286.420 -0.068 20 0 CBADRP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CNC(=O)C[NH3+] ZINC000094447067 300306179 /nfs/dbraw/zinc/30/61/79/300306179.db2.gz MXSGKILQFYSWEZ-WDEREUQCSA-N 2 0 268.361 -0.854 20 0 CBADRP [NH3+]C1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCCC1 ZINC000375952558 303354493 /nfs/dbraw/zinc/35/44/93/303354493.db2.gz DIOSJKHQYVIVJX-LBPRGKRZSA-N 2 0 266.389 -0.236 20 0 CBADRP [NH3+]C1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)Cc2ccccc2C1 ZINC000368646601 303356373 /nfs/dbraw/zinc/35/63/73/303356373.db2.gz JLTWLHYYTMNINK-ITGUQSILSA-N 2 0 257.337 -0.183 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000357068022 303383583 /nfs/dbraw/zinc/38/35/83/303383583.db2.gz FNWMOIKTPYYBDB-CYBMUJFWSA-N 2 0 257.378 -0.384 20 0 CBADRP O=C(N[C@H]1CCCC[NH2+]C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333491113 303950064 /nfs/dbraw/zinc/95/00/64/303950064.db2.gz DIBBPIKKOIGGRK-UONOGXRCSA-N 2 0 295.431 -0.182 20 0 CBADRP C[NH2+]C[C@H]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000570716403 327613899 /nfs/dbraw/zinc/61/38/99/327613899.db2.gz JJZTWLLDYVJFEJ-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP CCC(CC)[C@@H](O)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000570721373 327614354 /nfs/dbraw/zinc/61/43/54/327614354.db2.gz XLLLFYSRCWNDTI-CABCVRRESA-N 2 0 287.448 -0.019 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cn(CCC[NH3+])nn1 ZINC000580063602 327688755 /nfs/dbraw/zinc/68/87/55/327688755.db2.gz RHZWQSWHDWWWES-PWSUYJOCSA-N 2 0 280.376 -0.031 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000562976828 327731644 /nfs/dbraw/zinc/73/16/44/327731644.db2.gz SKQMXKUYNQGKDH-VSSNEEPJSA-N 2 0 253.346 -0.441 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CCN2C1=O ZINC000580214136 327735803 /nfs/dbraw/zinc/73/58/03/327735803.db2.gz LIIPCVHFLXKQMK-RTWAVKEYSA-N 2 0 292.383 -0.854 20 0 CBADRP COC(=O)[C@H]1CC[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000563002365 327741834 /nfs/dbraw/zinc/74/18/34/327741834.db2.gz FKMKHEAPYUHERD-BFHYXJOUSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[NH2+]CCCNC(=O)CN1CC[NH+](CC)CC1 ZINC000580332065 327876390 /nfs/dbraw/zinc/87/63/90/327876390.db2.gz CQHSBRVDNFCBQA-UHFFFAOYSA-N 2 0 256.394 -0.260 20 0 CBADRP C[C@@]1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC000582120548 327880031 /nfs/dbraw/zinc/88/00/31/327880031.db2.gz AVNQPPNCTXDEAP-TZMCWYRMSA-N 2 0 266.389 -0.508 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000563092840 327922274 /nfs/dbraw/zinc/92/22/74/327922274.db2.gz NNKNANDLSKYJEN-QWHCGFSZSA-N 2 0 284.404 -0.883 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCCCC[NH2+]1)N1CC[NH2+]CC1 ZINC000567884734 327931648 /nfs/dbraw/zinc/93/16/48/327931648.db2.gz JVHXQAVSGMUIEK-NSHDSACASA-N 2 0 268.361 -0.933 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000563207200 327964480 /nfs/dbraw/zinc/96/44/80/327964480.db2.gz NWVRSYPODAECFM-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH2+]C1CCN(CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000570964173 327965778 /nfs/dbraw/zinc/96/57/78/327965778.db2.gz GDTUQZVYZHZSGV-UHFFFAOYSA-N 2 0 254.378 -0.508 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)C(F)F ZINC000571046494 327984567 /nfs/dbraw/zinc/98/45/67/327984567.db2.gz KKKJZUDTJRXQPA-CSMHCCOUSA-N 2 0 251.277 -0.409 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C(CO)CO)c1ccccc1 ZINC000563360441 328056544 /nfs/dbraw/zinc/05/65/44/328056544.db2.gz KNXCSSCXACHTCZ-AWEZNQCLSA-N 2 0 295.383 -0.652 20 0 CBADRP COCCN1C(=O)C[C@H](NC[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000563348700 328056504 /nfs/dbraw/zinc/05/65/04/328056504.db2.gz MNGYZIPDCCVTEL-RYUDHWBXSA-N 2 0 283.372 -0.308 20 0 CBADRP CC(C)NC(=O)CN(C)CC(=O)N(C)[C@H](C)C[NH3+] ZINC000567383645 328068399 /nfs/dbraw/zinc/06/83/99/328068399.db2.gz PHZFUZYCFBSIBD-SNVBAGLBSA-N 2 0 258.366 -0.752 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563595420 328076205 /nfs/dbraw/zinc/07/62/05/328076205.db2.gz HNAWFGVACPCDHM-NEPJUHHUSA-N 2 0 297.403 -0.671 20 0 CBADRP CN1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000563599316 328076317 /nfs/dbraw/zinc/07/63/17/328076317.db2.gz VGHWGZTYAKLIJO-OLZOCXBDSA-N 2 0 283.420 -0.340 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000563659718 328082349 /nfs/dbraw/zinc/08/23/49/328082349.db2.gz DNGOSLIRILYYRQ-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCC1CC[NH2+]CC1)C(C)C ZINC000563660649 328082572 /nfs/dbraw/zinc/08/25/72/328082572.db2.gz OPQRRCHKZOFNLO-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000571164675 328089887 /nfs/dbraw/zinc/08/98/87/328089887.db2.gz VDJQRNYSRZRGHN-UKRRQHHQSA-N 2 0 297.399 -0.280 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000572838682 328095585 /nfs/dbraw/zinc/09/55/85/328095585.db2.gz HOYJUQPYSFIGEW-HIFRSBDPSA-N 2 0 298.431 -0.635 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CC1(C[NH3+])CC1 ZINC000572838805 328095952 /nfs/dbraw/zinc/09/59/52/328095952.db2.gz NPUCZQXKBKGKNM-GFCCVEGCSA-N 2 0 268.405 -0.133 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000572839613 328100996 /nfs/dbraw/zinc/10/09/96/328100996.db2.gz WEOLVRKPJHNKRI-FRRDWIJNSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000571305435 328101164 /nfs/dbraw/zinc/10/11/64/328101164.db2.gz JALAYAHSEDNTEY-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000571325276 328105898 /nfs/dbraw/zinc/10/58/98/328105898.db2.gz PCRCDFVKUKXRDV-ZIAGYGMSSA-N 2 0 299.415 -0.116 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000571396133 328118551 /nfs/dbraw/zinc/11/85/51/328118551.db2.gz GLOYMDPYBSDLRU-TUAOUCFPSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000571562344 328134123 /nfs/dbraw/zinc/13/41/23/328134123.db2.gz FUCJMFIEHSWLKH-PWSUYJOCSA-N 2 0 270.377 -0.704 20 0 CBADRP Cc1noc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000571635976 328151293 /nfs/dbraw/zinc/15/12/93/328151293.db2.gz JVMOKIKTKSGDTL-UHFFFAOYSA-N 2 0 284.364 -0.243 20 0 CBADRP C[C@H](C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)N1CCN(C)CC1 ZINC000575315746 335092756 /nfs/dbraw/zinc/09/27/56/335092756.db2.gz BFYULEMUWXQBTK-RWMBFGLXSA-N 2 0 268.405 -0.169 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000563808037 328520349 /nfs/dbraw/zinc/52/03/49/328520349.db2.gz USQOAZOHHUZBQW-GFCCVEGCSA-N 2 0 294.399 -0.734 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000563875484 328541024 /nfs/dbraw/zinc/54/10/24/328541024.db2.gz SVKYFLGICJATOM-CYBMUJFWSA-N 3 0 285.436 -0.142 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)COC1CC[NH2+]CC1 ZINC000583497824 328584696 /nfs/dbraw/zinc/58/46/96/328584696.db2.gz JVBBVFDYBOENQS-WDEREUQCSA-N 2 0 255.362 -0.036 20 0 CBADRP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000557279072 327000419 /nfs/dbraw/zinc/00/04/19/327000419.db2.gz JUHRKSVGIYYWJA-SNVBAGLBSA-N 2 0 280.372 -0.793 20 0 CBADRP COC[C@@]1(C(=O)NCC[N@@H+]2CCCOCC2)CC[NH2+]C1 ZINC000576463024 327033162 /nfs/dbraw/zinc/03/31/62/327033162.db2.gz FBMQNKPESCMREH-CQSZACIVSA-N 2 0 285.388 -0.549 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H](CO)CC(C)(C)C)CC1 ZINC000576755615 327039430 /nfs/dbraw/zinc/03/94/30/327039430.db2.gz SOVQURSQEQONAT-KGLIPLIRSA-N 2 0 287.448 -0.019 20 0 CBADRP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000576941064 327053117 /nfs/dbraw/zinc/05/31/17/327053117.db2.gz TWGXWLBYLWCJQX-JSGCOSHPSA-N 2 0 267.373 -0.176 20 0 CBADRP C[C@H]1[NH2+]CCN(C(=O)c2cn(CCC[NH3+])nn2)[C@H]1C ZINC000569224958 327054009 /nfs/dbraw/zinc/05/40/09/327054009.db2.gz JCQPHWCYSJMSNV-ZJUUUORDSA-N 2 0 266.349 -0.551 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000569338110 327075050 /nfs/dbraw/zinc/07/50/50/327075050.db2.gz AEODCUFKICCUSE-NXEZZACHSA-N 2 0 256.350 -0.950 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)CC[N@@H+]1C ZINC000558207329 327078484 /nfs/dbraw/zinc/07/84/84/327078484.db2.gz BIUCICWZPKVIHH-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccccc1 ZINC000573104989 327095112 /nfs/dbraw/zinc/09/51/12/327095112.db2.gz WZPLWMZWQAOTJS-YNEHKIRRSA-N 2 0 288.351 -0.543 20 0 CBADRP C[C@@H]([NH3+])C1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000564450280 327098156 /nfs/dbraw/zinc/09/81/56/327098156.db2.gz HCMNKUSUZYQDEG-PWSUYJOCSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](COCCOC)C1 ZINC000573126262 327100848 /nfs/dbraw/zinc/10/08/48/327100848.db2.gz MOMTZZWQKLPUKI-STQMWFEESA-N 2 0 260.378 -0.058 20 0 CBADRP C[C@@H]1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)C[C@H]1C[NH3+] ZINC000566090597 327131966 /nfs/dbraw/zinc/13/19/66/327131966.db2.gz ALNSNGFZNGXRGR-CHWSQXEVSA-N 2 0 298.431 -0.160 20 0 CBADRP C[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)Cn1cccn1 ZINC000566105769 327136664 /nfs/dbraw/zinc/13/66/64/327136664.db2.gz WGDMXPCYDQMANV-LSDHHAIUSA-N 2 0 295.431 -0.283 20 0 CBADRP COC[C@@]1(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000566179890 327157884 /nfs/dbraw/zinc/15/78/84/327157884.db2.gz VZNYNQQPVYFLRM-UKRRQHHQSA-N 2 0 298.431 -0.635 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000569357402 327162188 /nfs/dbraw/zinc/16/21/88/327162188.db2.gz JEXUURJVWHZJQH-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCCC1 ZINC000559344322 327162606 /nfs/dbraw/zinc/16/26/06/327162606.db2.gz IUDJQCNDKDGLEY-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000569359852 327163604 /nfs/dbraw/zinc/16/36/04/327163604.db2.gz UPCAYUVAORNSEC-QMMMGPOBSA-N 2 0 267.337 -0.864 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](C)CC1(C)C ZINC000569375445 327168708 /nfs/dbraw/zinc/16/87/08/327168708.db2.gz SDRRIYSIEMHZFD-ZDUSSCGKSA-N 2 0 273.421 -0.049 20 0 CBADRP CCOC(=O)C1CCC(O)(C[NH2+]C[C@@H](O)C[NH2+]C)CC1 ZINC000569456487 327179830 /nfs/dbraw/zinc/17/98/30/327179830.db2.gz IQEICHKUHADIOR-LXVYMNJGSA-N 2 0 288.388 -0.359 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000564939877 327198656 /nfs/dbraw/zinc/19/86/56/327198656.db2.gz JDQXPJPGWRCQQU-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000569592465 327202133 /nfs/dbraw/zinc/20/21/33/327202133.db2.gz YGPRONNNMUZCEW-AGIUHOORSA-N 2 0 294.399 -0.641 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)c2cn(CCCC[NH3+])nn2)[C@H]1C ZINC000569606198 327209780 /nfs/dbraw/zinc/20/97/80/327209780.db2.gz AMHLXGBODLIFPT-QWRGUYRKSA-N 2 0 280.376 -0.161 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)COC2CC[NH2+]CC2)[C@H]1C ZINC000584293025 327224025 /nfs/dbraw/zinc/22/40/25/327224025.db2.gz SZLPDMDGDGPPSK-QWRGUYRKSA-N 2 0 255.362 -0.036 20 0 CBADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000584299795 327229856 /nfs/dbraw/zinc/22/98/56/327229856.db2.gz VRMXRGGELIWTAR-BZPMIXESSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000566236535 327253909 /nfs/dbraw/zinc/25/39/09/327253909.db2.gz FQMOCRNOJHFAIQ-SRVKXCTJSA-N 2 0 284.404 -0.219 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)COC3C[NH2+]C3)C[C@H]21 ZINC000564950495 327256270 /nfs/dbraw/zinc/25/62/70/327256270.db2.gz FIEQQWAVOFIRPB-YUSALJHKSA-N 2 0 253.346 -0.439 20 0 CBADRP CN(C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)[C@@H](C[NH3+])C1CC1 ZINC000564954472 327258993 /nfs/dbraw/zinc/25/89/93/327258993.db2.gz JZKPVZLFOMJELA-AAEUAGOBSA-N 2 0 292.387 -0.161 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000564956805 327263640 /nfs/dbraw/zinc/26/36/40/327263640.db2.gz VSWNTEXNWBPVHB-UTLUCORTSA-N 2 0 257.334 -0.680 20 0 CBADRP CNS(=O)(=O)[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000564976021 327303045 /nfs/dbraw/zinc/30/30/45/327303045.db2.gz PDFUOIWWQMJIMN-NSHDSACASA-N 2 0 261.391 -0.391 20 0 CBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000583382030 327335407 /nfs/dbraw/zinc/33/54/07/327335407.db2.gz CAQKDPRUGAAUNQ-ZWNOBZJWSA-N 2 0 270.377 -0.656 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(CC(=O)N3CCCCC3)CCN2C1=O ZINC000583392801 327340830 /nfs/dbraw/zinc/34/08/30/327340830.db2.gz QFOSXPVBDBIOBO-VXGBXAGGSA-N 2 0 280.372 -0.757 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000578443045 327341375 /nfs/dbraw/zinc/34/13/75/327341375.db2.gz UFIMNROMVMAYJV-AXFHLTTASA-N 2 0 272.393 -0.315 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000564991410 327343235 /nfs/dbraw/zinc/34/32/35/327343235.db2.gz TYAKHIBADQISDY-LOWVWBTDSA-N 2 0 284.404 -0.328 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@H](CS(N)(=O)=O)C1 ZINC000574530248 327343790 /nfs/dbraw/zinc/34/37/90/327343790.db2.gz VNBFKYYIYYLDTE-RYUDHWBXSA-N 2 0 293.433 -0.701 20 0 CBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000578988909 327354141 /nfs/dbraw/zinc/35/41/41/327354141.db2.gz REWDJEXUWMNMFG-MNOVXSKESA-N 2 0 284.404 -0.171 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](C[C@@H]3CCSC3)CCN2C1=O ZINC000579259613 327361024 /nfs/dbraw/zinc/36/10/24/327361024.db2.gz XWULAFZTZYYHPO-HBNTYKKESA-N 2 0 255.387 -0.017 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000579370332 327364480 /nfs/dbraw/zinc/36/44/80/327364480.db2.gz FSQNLESYHYTTOD-QWHCGFSZSA-N 2 0 268.405 -0.038 20 0 CBADRP CC(C)NC(=O)CN(C)CC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000561160464 327370563 /nfs/dbraw/zinc/37/05/63/327370563.db2.gz GJZIBQOCPOEAGU-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000574771938 327377427 /nfs/dbraw/zinc/37/74/27/327377427.db2.gz YRXNSVBUDDZWTM-GRYCIOLGSA-N 2 0 297.403 -0.720 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]([NH3+])C1 ZINC000574860745 327387885 /nfs/dbraw/zinc/38/78/85/327387885.db2.gz AAFXDRCDURVJGJ-RYUDHWBXSA-N 2 0 270.377 -0.160 20 0 CBADRP C[C@]1(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCC[NH2+]C1 ZINC000566496748 327400142 /nfs/dbraw/zinc/40/01/42/327400142.db2.gz TXJNDUNVXVJGHZ-SUNKGSAMSA-N 2 0 280.372 -0.854 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000562689875 327504895 /nfs/dbraw/zinc/50/48/95/327504895.db2.gz QNWHPQDUKHOJJJ-UHFFFAOYSA-N 2 0 298.431 -0.049 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)NCC1CC[NH+](CC)CC1 ZINC000562821285 327516777 /nfs/dbraw/zinc/51/67/77/327516777.db2.gz IQKQJSOJYLAVGT-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)nn1 ZINC000569692660 327536179 /nfs/dbraw/zinc/53/61/79/327536179.db2.gz KUVNTQGHRCEDKE-NWDGAFQWSA-N 2 0 292.387 -0.255 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)CCCC[NH3+] ZINC000570157778 327572660 /nfs/dbraw/zinc/57/26/60/327572660.db2.gz IIZWGJUTKNSUGH-UHFFFAOYSA-N 2 0 256.350 -0.994 20 0 CBADRP [NH3+]C[C@@H](C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000570395289 327587560 /nfs/dbraw/zinc/58/75/60/327587560.db2.gz JAQXIWGNTNWYFQ-QWHCGFSZSA-N 2 0 263.341 -0.167 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000570443619 327591241 /nfs/dbraw/zinc/59/12/41/327591241.db2.gz IDSJQORVAVNPDO-GFCCVEGCSA-N 2 0 266.389 -0.365 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000583565606 328616226 /nfs/dbraw/zinc/61/62/26/328616226.db2.gz FYPOHXNHDNPECH-ZDUSSCGKSA-N 2 0 296.415 -0.312 20 0 CBADRP CC1=CCN(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000582416445 328983496 /nfs/dbraw/zinc/98/34/96/328983496.db2.gz UEJWFGQTSUPULP-INIZCTEOSA-N 2 0 296.459 -0.164 20 0 CBADRP C[C@]([NH3+])(C(=O)NC[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000582421826 328984611 /nfs/dbraw/zinc/98/46/11/328984611.db2.gz RTLCNLZRWDMQMA-TZMCWYRMSA-N 2 0 263.341 -0.035 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000582418826 328985240 /nfs/dbraw/zinc/98/52/40/328985240.db2.gz STPKQNNHUYATKR-GWCFXTLKSA-N 2 0 269.345 -0.521 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CCNCc3ccccc32)nn1 ZINC000583705364 329086307 /nfs/dbraw/zinc/08/63/07/329086307.db2.gz VUNXYKVSEQVPGU-UHFFFAOYSA-N 2 0 286.339 -0.013 20 0 CBADRP C[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCC[NH2+]1 ZINC000582849596 329279888 /nfs/dbraw/zinc/27/98/88/329279888.db2.gz SMYOSSNXYPNZMQ-WFASDCNBSA-N 2 0 296.415 -0.168 20 0 CBADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000583024202 329299228 /nfs/dbraw/zinc/29/92/28/329299228.db2.gz NJJOAESWZZKZSF-UEGILFFDSA-N 2 0 267.373 -0.003 20 0 CBADRP C[NH2+]CC(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000583142038 329321295 /nfs/dbraw/zinc/32/12/95/329321295.db2.gz 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CC[C@@H]([NH3+])C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000572361960 330002454 /nfs/dbraw/zinc/00/24/54/330002454.db2.gz LKVSGCQYHYPHQD-BDAKNGLRSA-N 2 0 282.310 -0.324 20 0 CBADRP COC(=O)N(C)CCCC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000162431020 330028964 /nfs/dbraw/zinc/02/89/64/330028964.db2.gz JLUCFYYYARZQRC-NSHDSACASA-N 2 0 286.376 -0.434 20 0 CBADRP CC(C)C[NH+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000580421100 330128930 /nfs/dbraw/zinc/12/89/30/330128930.db2.gz JLDHAMPWZKPAFW-AWEZNQCLSA-N 2 0 297.447 -0.127 20 0 CBADRP [NH3+]CC1(C(=O)NCC(=O)N2CC[NH2+]CC2)CCCC1 ZINC000580421967 330129291 /nfs/dbraw/zinc/12/92/91/330129291.db2.gz OJHUSVIJVKIMRP-UHFFFAOYSA-N 2 0 268.361 -0.947 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000580429459 330133977 /nfs/dbraw/zinc/13/39/77/330133977.db2.gz HICTYSYSYLGZOB-GHMZBOCLSA-N 2 0 268.361 -0.935 20 0 CBADRP CC(C)[NH2+]CCC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000580450697 330138044 /nfs/dbraw/zinc/13/80/44/330138044.db2.gz 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LNWJGRXZHSDCPU-GFCCVEGCSA-N 2 0 282.388 -0.497 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000576463544 335206866 /nfs/dbraw/zinc/20/68/66/335206866.db2.gz OSSMPHUHONFYST-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP COCC[NH2+]CC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000576465536 335207194 /nfs/dbraw/zinc/20/71/94/335207194.db2.gz FZOLFKQDHOJKGO-MRVPVSSYSA-N 2 0 251.277 -0.664 20 0 CBADRP C[N@H+](C[C@@H](O)CN[C@@H]1CCC[NH+](CCCO)C1)C1CC1 ZINC000576583836 335222270 /nfs/dbraw/zinc/22/22/70/335222270.db2.gz FDSLCEYHOFJPKS-HIFRSBDPSA-N 2 0 285.432 -0.122 20 0 CBADRP COCC1(CNC(=O)N(C)CCC[NH3+])CC[NH2+]CC1 ZINC000576600204 335225198 /nfs/dbraw/zinc/22/51/98/335225198.db2.gz UYXLJVRPVCWDED-UHFFFAOYSA-N 2 0 272.393 -0.007 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](CCOC)CC1 ZINC000576644839 335230220 /nfs/dbraw/zinc/23/02/20/335230220.db2.gz MFOVVFCVXKNLIU-CYBMUJFWSA-N 2 0 259.394 -0.437 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@@H]1[NH+](C)C ZINC000576744118 335242131 /nfs/dbraw/zinc/24/21/31/335242131.db2.gz XTSQKKIOBZUUII-NDBYEHHHSA-N 2 0 294.399 -0.785 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H](CO)CC(C)(C)C)CC1 ZINC000576755614 335243874 /nfs/dbraw/zinc/24/38/74/335243874.db2.gz SOVQURSQEQONAT-KBPBESRZSA-N 2 0 287.448 -0.019 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](C[C@@H]3CCCC[C@@H]3O)CCN2C1=O ZINC000576837236 335254568 /nfs/dbraw/zinc/25/45/68/335254568.db2.gz GJDBXUMZQZFLDQ-LOWDOPEQSA-N 2 0 267.373 -0.219 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCCCC[C@H]2O)CC1 ZINC000580551110 335278638 /nfs/dbraw/zinc/27/86/38/335278638.db2.gz AXBDPLJKPDPWEK-RRFJBIMHSA-N 2 0 285.432 -0.122 20 0 CBADRP CC(C)(C)[NH2+]CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000580560366 335281004 /nfs/dbraw/zinc/28/10/04/335281004.db2.gz ARSHXAAEZSVFEL-UHFFFAOYSA-N 2 0 268.365 -0.255 20 0 CBADRP [NH3+]C1CCC(OCC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000580562492 335282397 /nfs/dbraw/zinc/28/23/97/335282397.db2.gz IHOACRMWQOPRMO-MPEURRAXSA-N 2 0 267.373 -0.049 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000580577786 335289441 /nfs/dbraw/zinc/28/94/41/335289441.db2.gz VBYSEPRWOVZHAB-UHFFFAOYSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@H](C(=O)N1CCCCC1)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000577077299 335296495 /nfs/dbraw/zinc/29/64/95/335296495.db2.gz IPIVJUXAKFFKHJ-FRRDWIJNSA-N 2 0 294.399 -0.369 20 0 CBADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)CNC(=O)C[NH3+] ZINC000577108090 335301410 /nfs/dbraw/zinc/30/14/10/335301410.db2.gz SZZYINRCSDTNGP-LBPRGKRZSA-N 2 0 278.356 -0.560 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000580658807 335314739 /nfs/dbraw/zinc/31/47/39/335314739.db2.gz FNNACUPEZZCELX-MNOVXSKESA-N 2 0 291.355 -0.406 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@]2(COC)CC[NH2+]C2)CC1 ZINC000577219700 335324961 /nfs/dbraw/zinc/32/49/61/335324961.db2.gz UVVUOZVPDLRYTL-CYBMUJFWSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000577220776 335325180 /nfs/dbraw/zinc/32/51/80/335325180.db2.gz OZNBMFBIISECLJ-DCAQKATOSA-N 2 0 268.361 -0.807 20 0 CBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000577220777 335325289 /nfs/dbraw/zinc/32/52/89/335325289.db2.gz OZNBMFBIISECLJ-GARJFASQSA-N 2 0 268.361 -0.807 20 0 CBADRP C[NH2+][C@@H](C(=O)N1CC[NH2+][C@@H](C)C1)c1cnn(C)c1 ZINC000577391759 335347251 /nfs/dbraw/zinc/34/72/51/335347251.db2.gz SEOXIPGCHZNWHO-GXSJLCMTSA-N 2 0 251.334 -0.499 20 0 CBADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000577530751 335365799 /nfs/dbraw/zinc/36/57/99/335365799.db2.gz NVBZGQYHTLILFR-QJPTWQEYSA-N 2 0 296.415 -0.219 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CC1(C[NH3+])CC1 ZINC000577629367 335382351 /nfs/dbraw/zinc/38/23/51/335382351.db2.gz XSNLNGLPHKBEJD-NSHDSACASA-N 2 0 282.388 -0.429 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)C(F)(F)F ZINC000577728719 335393258 /nfs/dbraw/zinc/39/32/58/335393258.db2.gz PHZCCZZPKYGTOU-JGVFFNPUSA-N 2 0 269.267 -0.239 20 0 CBADRP C[NH+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000577848735 335410780 /nfs/dbraw/zinc/41/07/80/335410780.db2.gz CCKVKEABKOIRFQ-YPMHNXCESA-N 2 0 255.362 -0.097 20 0 CBADRP CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC(O)(C[NH3+])CC2)CC1 ZINC000577875825 335415900 /nfs/dbraw/zinc/41/59/00/335415900.db2.gz CEVVQNWXBHQEHW-CYBMUJFWSA-N 2 0 298.431 -0.675 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000577998950 335452471 /nfs/dbraw/zinc/45/24/71/335452471.db2.gz CLGQTHADAHVBPS-ZDUSSCGKSA-N 3 0 285.436 -0.142 20 0 CBADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000578063520 335475186 /nfs/dbraw/zinc/47/51/86/335475186.db2.gz CTSMTJYBULXXGF-STQMWFEESA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000578191422 335550805 /nfs/dbraw/zinc/55/08/05/335550805.db2.gz LCADOVXWBHSCPB-QWRGUYRKSA-N 2 0 268.361 -0.996 20 0 CBADRP CS(=O)(=O)N1CC[C@@H](C[NH2+]CC2CC[NH2+]CC2)C1 ZINC000578358841 335619574 /nfs/dbraw/zinc/61/95/74/335619574.db2.gz LFZWQCGQRWRXMD-LBPRGKRZSA-N 2 0 275.418 -0.143 20 0 CBADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000578509210 335642799 /nfs/dbraw/zinc/64/27/99/335642799.db2.gz WIBKVVLGTYEGCG-VXGBXAGGSA-N 2 0 277.324 -0.170 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000578509026 335642930 /nfs/dbraw/zinc/64/29/30/335642930.db2.gz OQJCLVCRANGJHO-SDDRHHMPSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(C[NH2+]C1CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000578766218 335672563 /nfs/dbraw/zinc/67/25/63/335672563.db2.gz HAOHECVUMVYVRB-GFCCVEGCSA-N 2 0 252.362 -0.756 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCCCC[NH2+]3)CCN2C1=O ZINC000578767409 335672615 /nfs/dbraw/zinc/67/26/15/335672615.db2.gz UILONALXMVBSMM-TUAOUCFPSA-N 2 0 280.372 -0.711 20 0 CBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000578889585 335686290 /nfs/dbraw/zinc/68/62/90/335686290.db2.gz RJONXGDTZNGZJA-BDAKNGLRSA-N 2 0 279.348 -0.849 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000579005401 335698436 /nfs/dbraw/zinc/69/84/36/335698436.db2.gz ITNHMFLGVRHXIL-VIFPVBQESA-N 2 0 263.288 -0.522 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000579110580 335710367 /nfs/dbraw/zinc/71/03/67/335710367.db2.gz BWGIBUDCWONTGS-DJLDLDEBSA-N 2 0 263.288 -0.523 20 0 CBADRP C[C@@H](CC(=O)NCC(=O)N1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000579236486 335725257 /nfs/dbraw/zinc/72/52/57/335725257.db2.gz WRGLCLSPWWEJID-LBPRGKRZSA-N 2 0 296.415 -0.440 20 0 CBADRP C[C@@H]1CCN(C(=O)c2cn(CCC[NH3+])nn2)C[C@H]1C[NH3+] ZINC000579353270 335738132 /nfs/dbraw/zinc/73/81/32/335738132.db2.gz WWKMSWGGMTYSRV-GHMZBOCLSA-N 2 0 280.376 -0.316 20 0 CBADRP C[NH+](C)CCN(Cc1cccs1)C(=O)CNC(=O)C[NH3+] ZINC000579470258 335766287 /nfs/dbraw/zinc/76/62/87/335766287.db2.gz BGCPPTPDPYEGJE-UHFFFAOYSA-N 2 0 298.412 -0.287 20 0 CBADRP COC1(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CCC1 ZINC000579701619 335866104 /nfs/dbraw/zinc/86/61/04/335866104.db2.gz FVYPKYPBTKIZEH-CYBMUJFWSA-N 2 0 271.405 -0.247 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000193700309 335984018 /nfs/dbraw/zinc/98/40/18/335984018.db2.gz SRGDLJUCVZDVFY-OLZOCXBDSA-N 2 0 296.415 -0.025 20 0 CBADRP C[NH2+]CCCC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000193706982 335984160 /nfs/dbraw/zinc/98/41/60/335984160.db2.gz VKNCKZYBMSGFNR-GFCCVEGCSA-N 2 0 284.404 -0.168 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000580942610 335986799 /nfs/dbraw/zinc/98/67/99/335986799.db2.gz ANRVXSSWONCOQK-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)COCc1ccccc1 ZINC000581072536 336004438 /nfs/dbraw/zinc/00/44/38/336004438.db2.gz UDYHHXROFUAJMS-KBPBESRZSA-N 2 0 268.357 -0.266 20 0 CBADRP [NH3+]CCCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000581130605 336012546 /nfs/dbraw/zinc/01/25/46/336012546.db2.gz SWKJTVKNAHJVHV-LLVKDONJSA-N 2 0 251.334 -0.114 20 0 CBADRP C[C@@]1(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000581190537 336021691 /nfs/dbraw/zinc/02/16/91/336021691.db2.gz SAALBCTZTQOEJU-IUODEOHRSA-N 2 0 296.415 -0.249 20 0 CBADRP CN1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000581241206 336029469 /nfs/dbraw/zinc/02/94/69/336029469.db2.gz NZNDKLWZFBQDKN-JHJVBQTASA-N 2 0 283.420 -0.212 20 0 CBADRP COC[C@H](O)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000581305473 336044115 /nfs/dbraw/zinc/04/41/15/336044115.db2.gz JYJITNGNMFXENR-CYBMUJFWSA-N 2 0 259.394 -0.391 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)COC3C[NH2+]C3)[C@@H]2C1 ZINC000581308963 336045276 /nfs/dbraw/zinc/04/52/76/336045276.db2.gz PFTOFZWBSBYIJN-ZYHUDNBSSA-N 2 0 253.346 -0.473 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000581368536 336062451 /nfs/dbraw/zinc/06/24/51/336062451.db2.gz OERSCJLZODMYRQ-WDEREUQCSA-N 2 0 280.376 -0.385 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCNC[C@@H]1c1nccn1C ZINC000581370977 336063325 /nfs/dbraw/zinc/06/33/25/336063325.db2.gz JVJYXNPWQOYNLG-QJPTWQEYSA-N 2 0 277.372 -0.109 20 0 CBADRP C[C@]1(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCCC[NH2+]1 ZINC000581381125 336065765 /nfs/dbraw/zinc/06/57/65/336065765.db2.gz RAPVUFLIKLNUQC-UHIISALHSA-N 2 0 280.372 -0.711 20 0 CBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000581427658 336075344 /nfs/dbraw/zinc/07/53/44/336075344.db2.gz CYAQKQVZZODEJA-NEPJUHHUSA-N 2 0 271.409 -0.293 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000581538694 336097094 /nfs/dbraw/zinc/09/70/94/336097094.db2.gz ONGABHACFMFRNJ-RAIGVLPGSA-N 2 0 294.399 -0.465 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000581603532 336110384 /nfs/dbraw/zinc/11/03/84/336110384.db2.gz ZTTDOWCIDAXLON-UONOGXRCSA-N 2 0 293.415 -0.015 20 0 CBADRP CCN1CCO[C@H](C(=O)N[C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000581607199 336111533 /nfs/dbraw/zinc/11/15/33/336111533.db2.gz MPZYBEHQFXZSND-SRVKXCTJSA-N 2 0 255.362 -0.049 20 0 CBADRP CN1CC[C@H]([N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1=O ZINC000581608405 336111782 /nfs/dbraw/zinc/11/17/82/336111782.db2.gz CPDNKKAZLWVLGM-NEPJUHHUSA-N 2 0 267.373 -0.096 20 0 CBADRP [NH3+]CCC1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000581671890 336126224 /nfs/dbraw/zinc/12/62/24/336126224.db2.gz NCTLRLUCNQOMGY-UHFFFAOYSA-N 2 0 283.420 -0.338 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000581716183 336136121 /nfs/dbraw/zinc/13/61/21/336136121.db2.gz QLPIIHATHHECPK-RYUDHWBXSA-N 3 0 271.409 -0.212 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000581727103 336138512 /nfs/dbraw/zinc/13/85/12/336138512.db2.gz GOUVEPDHYBTZSQ-UTUOFQBUSA-N 2 0 285.413 -0.329 20 0 CBADRP C[C@H]1CCC[C@@](CNC(=O)C(=O)NC2C[NH2+]C2)([NH+](C)C)C1 ZINC000581874598 336156488 /nfs/dbraw/zinc/15/64/88/336156488.db2.gz TYDVZTAPFXVEBB-XHDPSFHLSA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CCC(=O)NC(N)=O)C1 ZINC000581879291 336157466 /nfs/dbraw/zinc/15/74/66/336157466.db2.gz BKFPQGRJSARJLV-JTQLQIEISA-N 2 0 256.350 -0.107 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000581882358 336158822 /nfs/dbraw/zinc/15/88/22/336158822.db2.gz QKZNVECAAYPAAJ-NWDGAFQWSA-N 2 0 255.362 -0.096 20 0 CBADRP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000581884979 336159546 /nfs/dbraw/zinc/15/95/46/336159546.db2.gz WRYCDUFQNBRUQK-GDPRMGEGSA-N 2 0 284.360 -0.602 20 0 CBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000581933456 336172027 /nfs/dbraw/zinc/17/20/27/336172027.db2.gz YPAMYEGXVAFVKK-UPJWGTAASA-N 2 0 268.405 -0.134 20 0 CBADRP O=C(C[NH2+]CC1CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377572744 534589158 /nfs/dbraw/zinc/58/91/58/534589158.db2.gz SVNPMAVQGCFJCH-ZDUSSCGKSA-N 2 0 266.389 -0.508 20 0 CBADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000049557258 524162424 /nfs/dbraw/zinc/16/24/24/524162424.db2.gz UFADBTMQKHIKOR-CHWSQXEVSA-N 2 0 259.394 -0.391 20 0 CBADRP C[C@H](CC[NH+](C)C)NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000049646520 524165991 /nfs/dbraw/zinc/16/59/91/524165991.db2.gz IBIUUVCZSMNWFN-MNOVXSKESA-N 2 0 263.407 -0.002 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000367160641 529037522 /nfs/dbraw/zinc/03/75/22/529037522.db2.gz RRHWZOZKKNYIRY-CQSZACIVSA-N 2 0 280.416 -0.071 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCCN1CC[NH+](C)CC1 ZINC000040808781 529037643 /nfs/dbraw/zinc/03/76/43/529037643.db2.gz YPGLBAFWWFMESU-LBPRGKRZSA-N 2 0 256.394 -0.277 20 0 CBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000236884307 535713742 /nfs/dbraw/zinc/71/37/42/535713742.db2.gz LOVWVHLOLLZJDK-KGLIPLIRSA-N 2 0 298.431 -0.635 20 0 CBADRP COC[C@]1(CNC(=O)c2c[nH+]ccc2N)CCC[NH2+]1 ZINC000357258617 536683722 /nfs/dbraw/zinc/68/37/22/536683722.db2.gz OVGTXJGTEVDQQA-CYBMUJFWSA-N 2 0 264.329 -0.007 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc[n+]1[O-] ZINC000103212748 582112785 /nfs/dbraw/zinc/11/27/85/582112785.db2.gz MYNNCJRHAXPVPR-UHFFFAOYSA-N 2 0 280.372 -0.115 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000729529202 582146775 /nfs/dbraw/zinc/14/67/75/582146775.db2.gz NELNDSSBZZSGNL-AVGNSLFASA-N 2 0 267.373 -0.083 20 0 CBADRP O[C@@H](CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C[NH+]1CCCC1 ZINC000732871541 582161159 /nfs/dbraw/zinc/16/11/59/582161159.db2.gz JZITVLMVJBDFBB-OAGGEKHMSA-N 2 0 297.443 -0.026 20 0 CBADRP CC[C@@H](CO)[NH+]1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000743859808 582278299 /nfs/dbraw/zinc/27/82/99/582278299.db2.gz JMNUXJRXAYHJAU-LSDHHAIUSA-N 2 0 285.432 -0.168 20 0 CBADRP C[C@@H](C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+](C)C ZINC000750017218 582290678 /nfs/dbraw/zinc/29/06/78/582290678.db2.gz KEBYRPAEYRPZQV-SDDRHHMPSA-N 2 0 255.362 -0.084 20 0 CBADRP C[C@@H](C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+](C)C ZINC000750017220 582290747 /nfs/dbraw/zinc/29/07/47/582290747.db2.gz KEBYRPAEYRPZQV-TUAOUCFPSA-N 2 0 255.362 -0.084 20 0 CBADRP CC[N@H+](CCO)CCNC(=S)NCC[NH+](C)C ZINC000768786540 582334653 /nfs/dbraw/zinc/33/46/53/582334653.db2.gz VFODOQCIMWTCNH-UHFFFAOYSA-N 2 0 262.423 -0.674 20 0 CBADRP CCNS(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000780848482 582364650 /nfs/dbraw/zinc/36/46/50/582364650.db2.gz BQZQGWWMDGRPIQ-UHFFFAOYSA-N 2 0 292.449 -0.202 20 0 CBADRP CNC(=O)[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000788487577 582386225 /nfs/dbraw/zinc/38/62/25/582386225.db2.gz CGJNQWXFARONGB-LBPRGKRZSA-N 2 0 255.362 -0.225 20 0 CBADRP CN(CC[N@H+](C)[C@@H]1CCC(=O)NC1=O)C1CC[NH+](C)CC1 ZINC000799147478 582418730 /nfs/dbraw/zinc/41/87/30/582418730.db2.gz MOJOBJHALMLQTA-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[NH2+]CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000818594359 582512322 /nfs/dbraw/zinc/51/23/22/582512322.db2.gz MISCJIKYPCPEIH-VIFPVBQESA-N 2 0 282.310 -0.452 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@@H](O)C2CC2)C1 ZINC000819004021 582524778 /nfs/dbraw/zinc/52/47/78/582524778.db2.gz JOLWILOZCLXSOD-QWHCGFSZSA-N 2 0 269.389 -0.066 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCOC2CCC2)CC1 ZINC000819119928 582527046 /nfs/dbraw/zinc/52/70/46/582527046.db2.gz HUFIHPJNSSYFBE-ZDUSSCGKSA-N 2 0 271.405 -0.247 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000822724847 582645177 /nfs/dbraw/zinc/64/51/77/582645177.db2.gz ZEWKIPCLXJWHNH-ZDUSSCGKSA-N 2 0 266.389 -0.412 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000822933319 582653415 /nfs/dbraw/zinc/65/34/15/582653415.db2.gz DFPCRHYJEANQIW-QWHCGFSZSA-N 2 0 267.373 -0.250 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[NH+]1CCCC1 ZINC000824882090 582714425 /nfs/dbraw/zinc/71/44/25/582714425.db2.gz NBGLXPJULJWIGG-LBPRGKRZSA-N 2 0 282.388 -0.462 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000827936809 582836358 /nfs/dbraw/zinc/83/63/58/582836358.db2.gz WGIAEIDUZIMEMO-RDBSUJKOSA-N 2 0 297.399 -0.266 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000828357940 582853818 /nfs/dbraw/zinc/85/38/18/582853818.db2.gz GNDDQCOUVSGZIK-OLZOCXBDSA-N 2 0 296.415 -0.183 20 0 CBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@]3(F)CC[NH2+]C3)C2)CC1 ZINC000829484710 582888095 /nfs/dbraw/zinc/88/80/95/582888095.db2.gz WLBLZKKAZCCXTA-IUODEOHRSA-N 2 0 298.406 -0.027 20 0 CBADRP [NH3+]CCCCCCNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000831292462 582974688 /nfs/dbraw/zinc/97/46/88/582974688.db2.gz ZKLAGQAHRWOMHF-LLVKDONJSA-N 2 0 258.366 -0.125 20 0 CBADRP O=C(N1CC[C@@H](N2CC[NH2+]CC2)C1)[C@]1(F)CC[NH2+]C1 ZINC000831644205 582991994 /nfs/dbraw/zinc/99/19/94/582991994.db2.gz QQOUOPNQUYWFGJ-YPMHNXCESA-N 2 0 270.352 -0.806 20 0 CBADRP [NH3+][C@@H](CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)C1CC1 ZINC000831644570 582992019 /nfs/dbraw/zinc/99/20/19/582992019.db2.gz YWBHKXZAQDVETJ-STQMWFEESA-N 2 0 266.389 -0.380 20 0 CBADRP O=C(N1CCN([C@@H]2CC[NH2+]C2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000831683656 582993755 /nfs/dbraw/zinc/99/37/55/582993755.db2.gz XUBQQBRMAVYYPQ-DGCLKSJQSA-N 2 0 270.352 -0.806 20 0 CBADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CC(=O)N(CCCO)C1=O ZINC000840741503 583167099 /nfs/dbraw/zinc/16/70/99/583167099.db2.gz NMTDZGSWGMUKAE-ZDUSSCGKSA-N 2 0 297.399 -0.230 20 0 CBADRP O=C(NCC[NH2+]C1CC1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000841790196 583174128 /nfs/dbraw/zinc/17/41/28/583174128.db2.gz AJDYWQUGAHQDSK-QWHCGFSZSA-N 2 0 282.388 -0.099 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@H]1CCC[NH2+]C1 ZINC000841790762 583174511 /nfs/dbraw/zinc/17/45/11/583174511.db2.gz JDIBMNFFJJBZMD-YNEHKIRRSA-N 2 0 282.388 -0.099 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@H]1CCC[NH2+]C1 ZINC000841790761 583174520 /nfs/dbraw/zinc/17/45/20/583174520.db2.gz JDIBMNFFJJBZMD-XQQFMLRXSA-N 2 0 282.388 -0.099 20 0 CBADRP C[C@@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000841849252 583174845 /nfs/dbraw/zinc/17/48/45/583174845.db2.gz FHPYYBBJFNOJRZ-IJLUTSLNSA-N 2 0 255.362 -0.036 20 0 CBADRP CC1(C)C[NH2+]CCN1C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000841849061 583174950 /nfs/dbraw/zinc/17/49/50/583174950.db2.gz ONTCRUVLEFEUDQ-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@]1(F)CC[NH2+]C1 ZINC000841852270 583175175 /nfs/dbraw/zinc/17/51/75/583175175.db2.gz ISOJHXGVASZJFG-VXNVDRBHSA-N 2 0 251.252 -0.199 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N(CC[NH3+])CCO ZINC000841857379 583175332 /nfs/dbraw/zinc/17/53/32/583175332.db2.gz XHLNKVDJEYQABW-GFCCVEGCSA-N 2 0 272.393 -0.177 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000842014586 583177802 /nfs/dbraw/zinc/17/78/02/583177802.db2.gz CSYCAIRVVOGHFE-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[NH+]1CCCCC1 ZINC000842014237 583177854 /nfs/dbraw/zinc/17/78/54/583177854.db2.gz ATQAXNBRRXCODT-AAEUAGOBSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCCC[NH3+])[NH+]1CCCCC1 ZINC000842014633 583177882 /nfs/dbraw/zinc/17/78/82/583177882.db2.gz DGSHANHSPPTYIR-NSHDSACASA-N 2 0 270.377 -0.558 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[NH+]1CCCCC1 ZINC000842015837 583177961 /nfs/dbraw/zinc/17/79/61/583177961.db2.gz ONBSZXGPHHFXFX-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000842015504 583178020 /nfs/dbraw/zinc/17/80/20/583178020.db2.gz LYZRUVYYQJQWQS-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[NH+]1CCCCC1 ZINC000842015248 583178157 /nfs/dbraw/zinc/17/81/57/583178157.db2.gz JFVMYUZPNLQUPS-YPMHNXCESA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000842016904 583178165 /nfs/dbraw/zinc/17/81/65/583178165.db2.gz ZBDUIUAVNKYOPZ-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[NH+]1CCCCC1 ZINC000842015246 583178173 /nfs/dbraw/zinc/17/81/73/583178173.db2.gz JFVMYUZPNLQUPS-DGCLKSJQSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)[NH+]1CCCCC1 ZINC000842016198 583178200 /nfs/dbraw/zinc/17/82/00/583178200.db2.gz RWDRVORWWIFUSX-LBPRGKRZSA-N 2 0 296.415 -0.025 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[NH+]1CCCCC1 ZINC000842015835 583178219 /nfs/dbraw/zinc/17/82/19/583178219.db2.gz ONBSZXGPHHFXFX-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000842130377 583179596 /nfs/dbraw/zinc/17/95/96/583179596.db2.gz NTYKKRRSSGFMLC-QWHCGFSZSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000842130378 583179625 /nfs/dbraw/zinc/17/96/25/583179625.db2.gz NTYKKRRSSGFMLC-STQMWFEESA-N 2 0 296.415 -0.156 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCC[NH2+]C1CC1)C(C)C ZINC000842234310 583181716 /nfs/dbraw/zinc/18/17/16/583181716.db2.gz SHQCOIVZDHPHFA-UHFFFAOYSA-N 2 0 284.404 -0.299 20 0 CBADRP CON(C)C(=O)CC[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000843061720 583199060 /nfs/dbraw/zinc/19/90/60/583199060.db2.gz HOUPFMFBZCECHO-UHFFFAOYSA-N 2 0 273.377 -0.167 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NCCCCCC[NH3+] ZINC000843263161 583205509 /nfs/dbraw/zinc/20/55/09/583205509.db2.gz UINMUAHOHAWZSP-UHFFFAOYSA-N 2 0 272.393 -0.358 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCCCCC[NH3+])C1 ZINC000843266933 583205746 /nfs/dbraw/zinc/20/57/46/583205746.db2.gz QMEBGFARUMIWNZ-GFCCVEGCSA-N 2 0 284.404 -0.168 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)NCC[C@H]1CC[NH2+]C1 ZINC000843338019 583210537 /nfs/dbraw/zinc/21/05/37/583210537.db2.gz DKLIVUVXCSQFSD-VXGBXAGGSA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@](C[NH3+])(NC(=O)CO[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000843344181 583210904 /nfs/dbraw/zinc/21/09/04/583210904.db2.gz TVYGIDAESWKSAV-DGCLKSJQSA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(CCN1CC[C@]2(CCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000843389963 583214963 /nfs/dbraw/zinc/21/49/63/583214963.db2.gz DQYBHJJSDMWMIF-CQSZACIVSA-N 2 0 266.389 -0.364 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000843461379 583222680 /nfs/dbraw/zinc/22/26/80/583222680.db2.gz USAQOORTUIBGGN-GXTWGEPZSA-N 2 0 267.373 -0.033 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843470239 583224453 /nfs/dbraw/zinc/22/44/53/583224453.db2.gz YRXSTNUDHVUHJF-GRYCIOLGSA-N 2 0 255.362 -0.131 20 0 CBADRP [NH3+]CCNC(=O)c1ccccc1NC(=O)CC[NH3+] ZINC000843472031 583224456 /nfs/dbraw/zinc/22/44/56/583224456.db2.gz QWFDBWXCEFIZFP-UHFFFAOYSA-N 2 0 250.302 -0.338 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843473641 583225052 /nfs/dbraw/zinc/22/50/52/583225052.db2.gz JBPJCZKGKMEJJV-WCQYABFASA-N 2 0 253.346 -0.423 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843475544 583225194 /nfs/dbraw/zinc/22/51/94/583225194.db2.gz ATPVYPRGQBEMAE-ZIAGYGMSSA-N 2 0 296.415 -0.739 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843475541 583225359 /nfs/dbraw/zinc/22/53/59/583225359.db2.gz ATPVYPRGQBEMAE-KBPBESRZSA-N 2 0 296.415 -0.739 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000843481171 583226262 /nfs/dbraw/zinc/22/62/62/583226262.db2.gz PWJPYYYXRSJLJW-KBPBESRZSA-N 2 0 296.415 -0.739 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000843482286 583226815 /nfs/dbraw/zinc/22/68/15/583226815.db2.gz PMPRICGOWRZKON-GARJFASQSA-N 2 0 259.325 -0.429 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000843499234 583230525 /nfs/dbraw/zinc/23/05/25/583230525.db2.gz XLRMZKZUXXMDRI-VXGBXAGGSA-N 2 0 271.361 -0.669 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCCCCC[NH3+] ZINC000843513008 583232446 /nfs/dbraw/zinc/23/24/46/583232446.db2.gz WQVDQBRSZSZWHR-LBPRGKRZSA-N 2 0 272.393 -0.279 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)NCCC[NH+]1CCC(O)CC1 ZINC000844172817 583256824 /nfs/dbraw/zinc/25/68/24/583256824.db2.gz ZYQFGVFFZLBZEY-CQSZACIVSA-N 2 0 299.415 -0.282 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000844179003 583257962 /nfs/dbraw/zinc/25/79/62/583257962.db2.gz CLHONJJPYASAEF-MCIONIFRSA-N 2 0 297.399 -0.266 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000844181274 583258387 /nfs/dbraw/zinc/25/83/87/583258387.db2.gz WYNYVKGFQBZHGF-JZRPKSSGSA-N 2 0 265.357 -0.569 20 0 CBADRP O=C(N1CC[C@@]2(CCC[NH2+]2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846683086 583383179 /nfs/dbraw/zinc/38/31/79/583383179.db2.gz NTHQNLTURNKAKE-UBHSHLNASA-N 2 0 265.357 -0.423 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000846687476 583383425 /nfs/dbraw/zinc/38/34/25/583383425.db2.gz PDIXRVCRMBKKQW-ZDUSSCGKSA-N 2 0 273.352 -0.085 20 0 CBADRP C[N@@H+]1CCC[C@H](CN[C@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000846701396 583384860 /nfs/dbraw/zinc/38/48/60/583384860.db2.gz FQGXWTPZJKCWSO-NEPJUHHUSA-N 2 0 283.372 -0.572 20 0 CBADRP [NH3+]C[C@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)C(F)(F)F ZINC000848436984 583446847 /nfs/dbraw/zinc/44/68/47/583446847.db2.gz CFLGXUYEUQDHSZ-ZETCQYMHSA-N 2 0 277.250 -0.325 20 0 CBADRP CN(C)C(=[NH2+])NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000848999948 583465945 /nfs/dbraw/zinc/46/59/45/583465945.db2.gz BYEVPZAAHYCDRK-SNVBAGLBSA-N 2 0 255.366 -0.340 20 0 CBADRP COCCNC(=[NH2+])NCC[NH+]1CCC(OC)CC1 ZINC000849011862 583467809 /nfs/dbraw/zinc/46/78/09/583467809.db2.gz SKNYGPOHBFKPAN-UHFFFAOYSA-N 2 0 258.366 -0.142 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOCCO ZINC000849016497 583468257 /nfs/dbraw/zinc/46/82/57/583468257.db2.gz KPMOGNPKEKSUQE-GFCCVEGCSA-N 2 0 272.393 -0.016 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CNC(=O)C1 ZINC000849041472 583471408 /nfs/dbraw/zinc/47/14/08/583471408.db2.gz GMXSGOBONMJEEO-GHMZBOCLSA-N 2 0 267.377 -0.279 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CNC(=O)C1 ZINC000849041474 583471479 /nfs/dbraw/zinc/47/14/79/583471479.db2.gz GMXSGOBONMJEEO-QWRGUYRKSA-N 2 0 267.377 -0.279 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@](C)(CO)OC ZINC000849048493 583472053 /nfs/dbraw/zinc/47/20/53/583472053.db2.gz IBLPEEWBORERPV-WCQYABFASA-N 2 0 272.393 -0.018 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC2=[NH+]CCCCN2)C1 ZINC000849216095 583474028 /nfs/dbraw/zinc/47/40/28/583474028.db2.gz UHCRDNOVRDHAGR-LBPRGKRZSA-N 2 0 281.404 -0.097 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=S)NCC[NH+](C)C ZINC000849280008 583476141 /nfs/dbraw/zinc/47/61/41/583476141.db2.gz NWYKNKPBNMYLML-UHFFFAOYSA-N 2 0 289.493 -0.104 20 0 CBADRP CN(CCC[NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000851657289 583518363 /nfs/dbraw/zinc/51/83/63/583518363.db2.gz WOQGUCJMNWNSRM-NEPJUHHUSA-N 2 0 270.377 -0.160 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000851684438 583520831 /nfs/dbraw/zinc/52/08/31/583520831.db2.gz BPYLRYDCWDUPTE-TUAOUCFPSA-N 2 0 284.404 -0.301 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000851684436 583520832 /nfs/dbraw/zinc/52/08/32/583520832.db2.gz BPYLRYDCWDUPTE-SDDRHHMPSA-N 2 0 284.404 -0.301 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000851687289 583521635 /nfs/dbraw/zinc/52/16/35/583521635.db2.gz PTIDIDRLQZYHTM-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000851689369 583521983 /nfs/dbraw/zinc/52/19/83/583521983.db2.gz NTJRVMNONSAZDV-NWDGAFQWSA-N 2 0 284.404 -0.314 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000851692216 583522467 /nfs/dbraw/zinc/52/24/67/583522467.db2.gz XWCNTEHIOCGBBF-AGIUHOORSA-N 2 0 294.399 -0.593 20 0 CBADRP NC(=O)[C@@](O)(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000851731979 583523909 /nfs/dbraw/zinc/52/39/09/583523909.db2.gz FUYCDUVLGOWEDC-TYNCELHUSA-N 2 0 275.352 -0.489 20 0 CBADRP O[C@@H](CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C[NH+]1CCCC1 ZINC000852710296 583550861 /nfs/dbraw/zinc/55/08/61/583550861.db2.gz NGVVGWNXYXCUIH-HZPDHXFCSA-N 2 0 297.443 -0.026 20 0 CBADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852791749 583552718 /nfs/dbraw/zinc/55/27/18/583552718.db2.gz LQJLIELXIDEJLQ-ONGXEEELSA-N 2 0 292.339 -0.085 20 0 CBADRP CC[NH2+]CC1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852798308 583553333 /nfs/dbraw/zinc/55/33/33/583553333.db2.gz JCXKIAOLUAVAML-LLVKDONJSA-N 2 0 268.361 -0.062 20 0 CBADRP O=C(CNC(=O)[C@@H]1[NH2+]CC12CCCC2)N1CC[NH2+]CC1 ZINC000852824790 583556451 /nfs/dbraw/zinc/55/64/51/583556451.db2.gz BPRWAKVASYDBSM-LBPRGKRZSA-N 2 0 280.372 -0.933 20 0 CBADRP O=C(NCC[NH2+]C1CC1)[C@H]1[NH2+]CC12CCOCC2 ZINC000852825761 583556914 /nfs/dbraw/zinc/55/69/14/583556914.db2.gz UVBXUOAXNKMIKQ-LLVKDONJSA-N 2 0 253.346 -0.377 20 0 CBADRP CN(C(=O)[C@H]1[NH2+]CC12CCOCC2)[C@@H]1CC[NH2+]C1 ZINC000852825928 583557032 /nfs/dbraw/zinc/55/70/32/583557032.db2.gz WYQBIKMGXJRAGL-GHMZBOCLSA-N 2 0 253.346 -0.425 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852853957 583561075 /nfs/dbraw/zinc/56/10/75/583561075.db2.gz AHMOVTNCUPRPOI-ZJUUUORDSA-N 2 0 254.334 -0.310 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852856287 583561547 /nfs/dbraw/zinc/56/15/47/583561547.db2.gz YBPBSOYJZBRNNP-NEPJUHHUSA-N 2 0 298.387 -0.437 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)C2=NO[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000852857219 583561925 /nfs/dbraw/zinc/56/19/25/583561925.db2.gz MKENERINELXXBC-UTUOFQBUSA-N 2 0 298.387 -0.295 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)=NO1 ZINC000852859323 583562192 /nfs/dbraw/zinc/56/21/92/583562192.db2.gz RMCQVMPKXMNIKC-VWYCJHECSA-N 2 0 266.345 -0.167 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852861762 583562811 /nfs/dbraw/zinc/56/28/11/583562811.db2.gz IYKFCZBIFRGXJK-GHMZBOCLSA-N 2 0 268.361 -0.064 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852861782 583562935 /nfs/dbraw/zinc/56/29/35/583562935.db2.gz JPDWONYSXHDOIV-UWVGGRQHSA-N 2 0 256.350 -0.064 20 0 CBADRP C[N@@H+]1CCC[C@@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852864139 583563558 /nfs/dbraw/zinc/56/35/58/583563558.db2.gz XHBQVCFUPJGIET-UWVGGRQHSA-N 2 0 254.334 -0.452 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852865150 583564016 /nfs/dbraw/zinc/56/40/16/583564016.db2.gz SLMFQYRLPVWQME-WDEREUQCSA-N 2 0 284.360 -0.683 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852865147 583564122 /nfs/dbraw/zinc/56/41/22/583564122.db2.gz SLMFQYRLPVWQME-GHMZBOCLSA-N 2 0 284.360 -0.683 20 0 CBADRP C[NH+](C)C1(CNC(=O)C2=NO[C@H](C[NH3+])C2)CCOCC1 ZINC000852867741 583564904 /nfs/dbraw/zinc/56/49/04/583564904.db2.gz AVDNUSFVDVFIMT-JTQLQIEISA-N 2 0 284.360 -0.683 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852870795 583565066 /nfs/dbraw/zinc/56/50/66/583565066.db2.gz YEIWPSDZRNOVNG-VHSXEESVSA-N 2 0 254.334 -0.452 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852870793 583565143 /nfs/dbraw/zinc/56/51/43/583565143.db2.gz YEIWPSDZRNOVNG-UWVGGRQHSA-N 2 0 254.334 -0.452 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852872240 583565235 /nfs/dbraw/zinc/56/52/35/583565235.db2.gz JPNHLMQVCPYKNE-QWRGUYRKSA-N 2 0 286.376 -0.437 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852872395 583565482 /nfs/dbraw/zinc/56/54/82/583565482.db2.gz FVBWRNMLGXEZJL-RYUDHWBXSA-N 2 0 297.403 -0.768 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)C[N@@H+]1C1CC1 ZINC000852872791 583565517 /nfs/dbraw/zinc/56/55/17/583565517.db2.gz RFZAMCYSNKKKJG-FXPVBKGRSA-N 2 0 266.345 -0.169 20 0 CBADRP C[C@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)C[NH+]1CCN(C)CC1 ZINC000852873120 583565652 /nfs/dbraw/zinc/56/56/52/583565652.db2.gz PNFNGXIJWBWYBA-NEPJUHHUSA-N 2 0 297.403 -0.910 20 0 CBADRP CC1(CNC(=O)C2=NO[C@@H](C[NH3+])C2)CC[NH2+]CC1 ZINC000852875953 583566110 /nfs/dbraw/zinc/56/61/10/583566110.db2.gz UKIONPBYIWQVNA-SECBINFHSA-N 2 0 254.334 -0.404 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)=NO1 ZINC000852875935 583566240 /nfs/dbraw/zinc/56/62/40/583566240.db2.gz UCLAXHLHXXJKFK-BXKDBHETSA-N 2 0 252.318 -0.698 20 0 CBADRP COCC1(CNC(=O)C2=NO[C@H](C[NH3+])C2)CC[NH2+]CC1 ZINC000852879328 583566434 /nfs/dbraw/zinc/56/64/34/583566434.db2.gz VAVAKSOHHSBBAC-JTQLQIEISA-N 2 0 284.360 -0.778 20 0 CBADRP O=C(C=C1CC[NH2+]CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000852881236 583566742 /nfs/dbraw/zinc/56/67/42/583566742.db2.gz TYESBBKYUDTDAD-AWEZNQCLSA-N 2 0 278.400 -0.198 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@@H]2CC[C@@H](C[NH3+])CC2)=NO1 ZINC000852881172 583566790 /nfs/dbraw/zinc/56/67/90/583566790.db2.gz RWSVYMXWQZUQOI-DCAQKATOSA-N 2 0 268.361 -0.029 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852881230 583566873 /nfs/dbraw/zinc/56/68/73/583566873.db2.gz SZWCXSIZIJMRMY-SDNRWEOFSA-N 2 0 254.334 -0.407 20 0 CBADRP C[NH+](C)CCOCCNC(=O)C=C1CC[NH2+]CC1 ZINC000852885860 583568760 /nfs/dbraw/zinc/56/87/60/583568760.db2.gz DDVIJIKZQCMFMH-UHFFFAOYSA-N 2 0 255.362 -0.009 20 0 CBADRP CCCN(CC[NH+](C)C)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852893482 583570733 /nfs/dbraw/zinc/57/07/33/583570733.db2.gz HJMNWOKADDDGNJ-SNVBAGLBSA-N 2 0 256.350 -0.110 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)=NO1 ZINC000852893777 583570746 /nfs/dbraw/zinc/57/07/46/583570746.db2.gz JUTSAHIHACYSEF-MWLCHTKSSA-N 2 0 266.345 -0.119 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CCC1 ZINC000854352587 583599523 /nfs/dbraw/zinc/59/95/23/583599523.db2.gz GMFCVQOMVVINLS-CYBMUJFWSA-N 2 0 280.416 -0.023 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000857102652 583664415 /nfs/dbraw/zinc/66/44/15/583664415.db2.gz ITNAMNFNJNQMGO-TUAOUCFPSA-N 2 0 270.377 -0.114 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC[C@H](C)[NH3+] ZINC000857102989 583664668 /nfs/dbraw/zinc/66/46/68/583664668.db2.gz YNPLZIRSGZTWCA-NWDGAFQWSA-N 2 0 271.409 -0.341 20 0 CBADRP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC[C@H](C)[NH3+])[C@H](C)C1 ZINC000857108939 583665210 /nfs/dbraw/zinc/66/52/10/583665210.db2.gz SQJMOYUFVDCDOH-QJPTWQEYSA-N 2 0 272.393 -0.180 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H]1CC[NH2+]C1 ZINC000861573248 583771265 /nfs/dbraw/zinc/77/12/65/583771265.db2.gz CRAMTENYEWFRCZ-UTUOFQBUSA-N 2 0 268.361 -0.489 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861573346 583771341 /nfs/dbraw/zinc/77/13/41/583771341.db2.gz GCBZTTDSRKBTEE-NWDGAFQWSA-N 2 0 271.409 -0.389 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000861644893 583774918 /nfs/dbraw/zinc/77/49/18/583774918.db2.gz BCNJDSOEZRGAKC-HTQZYQBOSA-N 2 0 250.293 -0.028 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[NH+]1CCCCC1 ZINC000861729628 583781669 /nfs/dbraw/zinc/78/16/69/583781669.db2.gz XDAACCHFZZNPPX-FRRDWIJNSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[NH+]1CCC(CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000861736274 583782539 /nfs/dbraw/zinc/78/25/39/583782539.db2.gz XTIPJYBJOHPTDT-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000861740784 583782652 /nfs/dbraw/zinc/78/26/52/583782652.db2.gz VNISEAGIIXBYPZ-SECBINFHSA-N 2 0 256.350 -0.998 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861753492 583784215 /nfs/dbraw/zinc/78/42/15/583784215.db2.gz XWXYTENSNPYRDC-LLVKDONJSA-N 2 0 272.393 -0.360 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861763206 583785158 /nfs/dbraw/zinc/78/51/58/583785158.db2.gz LXLDNYQPSCWSSZ-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861763204 583785170 /nfs/dbraw/zinc/78/51/70/583785170.db2.gz LXLDNYQPSCWSSZ-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861769736 583785379 /nfs/dbraw/zinc/78/53/79/583785379.db2.gz BVRLLABPLMNFCV-SNVBAGLBSA-N 2 0 258.366 -0.750 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000861772993 583785650 /nfs/dbraw/zinc/78/56/50/583785650.db2.gz GDJVZTCKLWCDIP-TUAOUCFPSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000861772455 583785698 /nfs/dbraw/zinc/78/56/98/583785698.db2.gz WRGQHDVCWMCFAZ-LLVKDONJSA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861771966 583785718 /nfs/dbraw/zinc/78/57/18/583785718.db2.gz MBQZQCNGXAKVRZ-NSHDSACASA-N 2 0 272.393 -0.360 20 0 CBADRP C[NH+](C)CCNC(=S)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863253348 583835901 /nfs/dbraw/zinc/83/59/01/583835901.db2.gz NYCBHMVQXHNEOF-JTQLQIEISA-N 2 0 260.407 -0.921 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN(C)C[C@H](C)[NH3+])CC1 ZINC000863568336 583847202 /nfs/dbraw/zinc/84/72/02/583847202.db2.gz KAWVGLTXPOOWND-NSHDSACASA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000863750783 583852335 /nfs/dbraw/zinc/85/23/35/583852335.db2.gz XTLOQGFTWFTZOV-GFCCVEGCSA-N 2 0 298.431 -0.018 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000863751331 583852521 /nfs/dbraw/zinc/85/25/21/583852521.db2.gz GWBUENSQVOLCPX-SNVBAGLBSA-N 2 0 258.366 -0.798 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000863751363 583852628 /nfs/dbraw/zinc/85/26/28/583852628.db2.gz HJZWHZUSYAGMMM-VXGBXAGGSA-N 2 0 284.404 -0.265 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000863754977 583852967 /nfs/dbraw/zinc/85/29/67/583852967.db2.gz XVUFAROMYXHDPD-VXGBXAGGSA-N 2 0 282.388 -0.511 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000863754356 583853019 /nfs/dbraw/zinc/85/30/19/583853019.db2.gz QRFCWMZQRMTMKB-GFCCVEGCSA-N 2 0 284.404 -0.265 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000863755191 583853165 /nfs/dbraw/zinc/85/31/65/583853165.db2.gz LDSAXOCTGMIRST-CMPLNLGQSA-N 2 0 282.388 -0.513 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@H](C)[NH3+])[C@H](C)C1 ZINC000863761441 583854368 /nfs/dbraw/zinc/85/43/68/583854368.db2.gz HFVMCIQAJKPHGY-AGIUHOORSA-N 2 0 298.431 -0.019 20 0 CBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000863764701 583854742 /nfs/dbraw/zinc/85/47/42/583854742.db2.gz VUSJHBPYJIXXIH-QWHCGFSZSA-N 2 0 298.431 -0.018 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000863769082 583855532 /nfs/dbraw/zinc/85/55/32/583855532.db2.gz JBVMOYFVDVWIQH-VXGBXAGGSA-N 2 0 284.404 -0.267 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000863769564 583855731 /nfs/dbraw/zinc/85/57/31/583855731.db2.gz LFZYVCFOQDYKGD-WDEREUQCSA-N 2 0 270.377 -0.655 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000863774501 583856199 /nfs/dbraw/zinc/85/61/99/583856199.db2.gz ZKMXNBUFYXDZQM-NSHDSACASA-N 2 0 284.404 -0.408 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000863774325 583856214 /nfs/dbraw/zinc/85/62/14/583856214.db2.gz VCMRHERIMJEBJC-NWDGAFQWSA-N 2 0 280.372 -0.735 20 0 CBADRP [NH3+]CCN(Cc1ccccc1)S(=O)(=O)C1C[NH2+]C1 ZINC000864094551 583873829 /nfs/dbraw/zinc/87/38/29/583873829.db2.gz XOJKUEVUQWDMHN-UHFFFAOYSA-N 2 0 269.370 -0.251 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]C[C@@]23COCCN2C(=O)COC3)CC[N@@H+]1C ZINC000866554167 583924122 /nfs/dbraw/zinc/92/41/22/583924122.db2.gz GAZPJVIPFBMPAU-NFAWXSAZSA-N 2 0 297.399 -0.314 20 0 CBADRP Cn1nnnc1CC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000866662260 583926230 /nfs/dbraw/zinc/92/62/30/583926230.db2.gz ZVRRUZHJPXHGBU-UHFFFAOYSA-N 2 0 250.350 -0.172 20 0 CBADRP CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000866685172 583926980 /nfs/dbraw/zinc/92/69/80/583926980.db2.gz CPPQMKZKSREFFB-NSHDSACASA-N 2 0 258.366 -0.255 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(CCN3CC[NH2+]CC3)CC[C@H]21 ZINC000866703364 583927762 /nfs/dbraw/zinc/92/77/62/583927762.db2.gz HQKXUDYBSKBANM-UONOGXRCSA-N 2 0 252.406 -0.082 20 0 CBADRP CN1C(=O)[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]2C1=O ZINC000866701079 583927772 /nfs/dbraw/zinc/92/77/72/583927772.db2.gz FJFVGYUNUKVMNC-PHIMTYICSA-N 2 0 251.330 -0.467 20 0 CBADRP CCOC(=O)CC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711096 583928014 /nfs/dbraw/zinc/92/80/14/583928014.db2.gz BVRYIUKWCVHLKP-TUAOUCFPSA-N 2 0 297.355 -0.194 20 0 CBADRP [NH3+]CCCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866713995 583928332 /nfs/dbraw/zinc/92/83/32/583928332.db2.gz CQBYQASYRKXLMO-AXFHLTTASA-N 2 0 254.334 -0.798 20 0 CBADRP CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000866739592 583929955 /nfs/dbraw/zinc/92/99/55/583929955.db2.gz GSFFNUFNTVZKAR-RYUDHWBXSA-N 2 0 293.433 -0.342 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@H]1CCCC[NH2+]C1 ZINC000866767400 583931786 /nfs/dbraw/zinc/93/17/86/583931786.db2.gz AJQGUJSCHIRYEX-QWRGUYRKSA-N 2 0 277.390 -0.964 20 0 CBADRP CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000866769851 583932059 /nfs/dbraw/zinc/93/20/59/583932059.db2.gz PXLYYBRBKWVVPT-GHMZBOCLSA-N 2 0 291.417 -0.718 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)/C=C/CN1CCOCC1 ZINC000866920158 583936586 /nfs/dbraw/zinc/93/65/86/583936586.db2.gz BUVPCEBFZYIZMC-NNTXTVRGSA-N 2 0 285.388 -0.696 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867323966 583948280 /nfs/dbraw/zinc/94/82/80/583948280.db2.gz OGDNFVNUUVCVSI-STQMWFEESA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)C1CC[NH2+]CC1 ZINC000868013051 583969238 /nfs/dbraw/zinc/96/92/38/583969238.db2.gz ZYZVDFPYKAEWEU-CMPLNLGQSA-N 2 0 255.362 -0.131 20 0 CBADRP CCN1CCN(C(=O)[C@H](O)c2cnc[nH]2)[C@@H](C)C1 ZINC000868269541 583973823 /nfs/dbraw/zinc/97/38/23/583973823.db2.gz GPUGRHOXPNTSFE-GXSJLCMTSA-N 2 0 252.318 -0.004 20 0 CBADRP CCN1CCN(C(=O)[C@@H](O)c2cnc[nH]2)[C@H](C)C1 ZINC000868269542 583973957 /nfs/dbraw/zinc/97/39/57/583973957.db2.gz GPUGRHOXPNTSFE-KOLCDFICSA-N 2 0 252.318 -0.004 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868385513 583976526 /nfs/dbraw/zinc/97/65/26/583976526.db2.gz SZXDDSJLMHUIMT-JHJVBQTASA-N 2 0 294.399 -0.641 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC000868388221 583976688 /nfs/dbraw/zinc/97/66/88/583976688.db2.gz XAGAGOWKFGQUFI-YNEHKIRRSA-N 2 0 294.399 -0.641 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC[C@@H]21 ZINC000868390784 583977116 /nfs/dbraw/zinc/97/71/16/583977116.db2.gz PXWCOQAAFOBMBG-SRVKXCTJSA-N 2 0 280.372 -0.901 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CCC1(C)C ZINC000868404787 583977741 /nfs/dbraw/zinc/97/77/41/583977741.db2.gz GHVXKDPEXALZQC-NSHDSACASA-N 2 0 282.388 -0.511 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000868407678 583978215 /nfs/dbraw/zinc/97/82/15/583978215.db2.gz ZYWKHQIPORQNHY-UHFFFAOYSA-N 2 0 284.404 -0.264 20 0 CBADRP C[C@H](O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019710 584007356 /nfs/dbraw/zinc/00/73/56/584007356.db2.gz MZVQOGCAGWSWQO-QJPTWQEYSA-N 2 0 257.378 -0.435 20 0 CBADRP C[C@@H](O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019709 584007361 /nfs/dbraw/zinc/00/73/61/584007361.db2.gz MZVQOGCAGWSWQO-IJLUTSLNSA-N 2 0 257.378 -0.435 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000870913472 584021283 /nfs/dbraw/zinc/02/12/83/584021283.db2.gz BOYPKGHPEOOUDK-SFDCQRBFSA-N 2 0 278.400 -0.380 20 0 CBADRP O=C(CC[NH2+]CC1CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000870913795 584021294 /nfs/dbraw/zinc/02/12/94/584021294.db2.gz FSJFJZOXXXLHTI-CQSZACIVSA-N 2 0 280.416 -0.118 20 0 CBADRP O=C(CC[NH2+]CC1CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000870913789 584021296 /nfs/dbraw/zinc/02/12/96/584021296.db2.gz FSJFJZOXXXLHTI-AWEZNQCLSA-N 2 0 280.416 -0.118 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C[C@H]1C[NH3+] ZINC000870949831 584022918 /nfs/dbraw/zinc/02/29/18/584022918.db2.gz RBOQXYNQQROTPW-DIACKHNESA-N 2 0 267.373 -0.064 20 0 CBADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1C[NH2+]CCO1 ZINC000870974261 584023672 /nfs/dbraw/zinc/02/36/72/584023672.db2.gz LGOVMHDEGSTUQW-WRWGMCAJSA-N 2 0 253.346 -0.378 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870982277 584023807 /nfs/dbraw/zinc/02/38/07/584023807.db2.gz MEFJBTJPWXUSOH-WOPDTQHZSA-N 2 0 255.362 -0.097 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CCO3)CC[C@H]21 ZINC000870980632 584023993 /nfs/dbraw/zinc/02/39/93/584023993.db2.gz AAHUJWKTDVPIIU-IJLUTSLNSA-N 2 0 253.346 -0.473 20 0 CBADRP C[C@@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000870984176 584024485 /nfs/dbraw/zinc/02/44/85/584024485.db2.gz IRQLVSOCIRTLML-YPMHNXCESA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)C1CC[NH2+]CC1 ZINC000870987656 584024720 /nfs/dbraw/zinc/02/47/20/584024720.db2.gz QHCSXNPNWPOGIW-JKOKRWQUSA-N 2 0 267.373 -0.273 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870999807 584024730 /nfs/dbraw/zinc/02/47/30/584024730.db2.gz PXFTUSPCAYTMNP-USZNOCQGSA-N 2 0 296.371 -0.637 20 0 CBADRP CC(C)[NH2+]CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870998283 584024750 /nfs/dbraw/zinc/02/47/50/584024750.db2.gz WLQHZLOVLZAOJP-TUAOUCFPSA-N 2 0 296.371 -0.622 20 0 CBADRP O=C([C@H]1CCC[NH2+]1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871003914 584024894 /nfs/dbraw/zinc/02/48/94/584024894.db2.gz FVCXGUOZFHKRGW-QCNOEVLYSA-N 2 0 294.355 -0.868 20 0 CBADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871003915 584024941 /nfs/dbraw/zinc/02/49/41/584024941.db2.gz FVCXGUOZFHKRGW-YFKTTZPYSA-N 2 0 294.355 -0.868 20 0 CBADRP CN(CCCCCC[NH3+])S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000871822726 584046349 /nfs/dbraw/zinc/04/63/49/584046349.db2.gz IHDCKIIGPHRCAV-LBPRGKRZSA-N 2 0 293.433 -0.245 20 0 CBADRP O=C1CC2(CCC2)[N@H+](CCN2CC[NH2+]CC2)CCN1 ZINC000872157893 584048459 /nfs/dbraw/zinc/04/84/59/584048459.db2.gz UCNYVAWWNMFLMF-UHFFFAOYSA-N 2 0 266.389 -0.364 20 0 CBADRP COC(=O)CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1=O ZINC000872154688 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COC[C@@]1(C(=O)N2CCC3(CC[NH2+]3)CC2)C[NH2+]CCO1 ZINC000876927905 584156258 /nfs/dbraw/zinc/15/62/58/584156258.db2.gz ORKZUBPAUVFLPL-CQSZACIVSA-N 2 0 283.372 -0.654 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000876937592 584156792 /nfs/dbraw/zinc/15/67/92/584156792.db2.gz ZDWSVFUFTKALGK-UONOGXRCSA-N 2 0 276.384 -0.040 20 0 CBADRP C[C@H]1CCCN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H]1CC[NH3+] ZINC000876949007 584157596 /nfs/dbraw/zinc/15/75/96/584157596.db2.gz NQHJUEMLSZIYGO-SDDRHHMPSA-N 2 0 256.394 -0.149 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000876950652 584157831 /nfs/dbraw/zinc/15/78/31/584157831.db2.gz RMFFTUNKTLXZPX-IGQOVBAYSA-N 2 0 298.431 -0.237 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000876954557 584158106 /nfs/dbraw/zinc/15/81/06/584158106.db2.gz LESLDERPMYSEOA-KBPBESRZSA-N 2 0 298.431 -0.411 20 0 CBADRP COC[C@@]1(C(=O)NCC[C@@H]([NH3+])C(C)C)C[NH2+]CCO1 ZINC000876975839 584159368 /nfs/dbraw/zinc/15/93/68/584159368.db2.gz DTUZRATWLCMXEY-DGCLKSJQSA-N 2 0 273.377 -0.519 20 0 CBADRP COC[C@]1(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C[NH2+]CCO1 ZINC000876985017 584159927 /nfs/dbraw/zinc/15/99/27/584159927.db2.gz MRSWPDVEARPCET-UBHSHLNASA-N 2 0 283.372 -0.669 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000876997627 584160501 /nfs/dbraw/zinc/16/05/01/584160501.db2.gz CEWBVAIZAUCIBK-GXSJLCMTSA-N 2 0 254.334 -0.454 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877016683 584161755 /nfs/dbraw/zinc/16/17/55/584161755.db2.gz BSPZSSNNXYZNQQ-AEJSXWLSSA-N 2 0 296.337 -0.139 20 0 CBADRP C[NH2+]CCOCCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000877024901 584162201 /nfs/dbraw/zinc/16/22/01/584162201.db2.gz SAYQJSDUTCJIIQ-LLVKDONJSA-N 2 0 259.350 -0.893 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877038616 584163325 /nfs/dbraw/zinc/16/33/25/584163325.db2.gz UGFGKMIJSYRECF-WZRBSPASSA-N 2 0 253.346 -0.377 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC1(C[NH3+])CCOCC1 ZINC000877044314 584164015 /nfs/dbraw/zinc/16/40/15/584164015.db2.gz XYKDAUYHBRSKQB-NXEZZACHSA-N 2 0 255.362 -0.016 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC1(C[NH3+])CCOCC1 ZINC000877044316 584164042 /nfs/dbraw/zinc/16/40/42/584164042.db2.gz XYKDAUYHBRSKQB-VHSXEESVSA-N 2 0 255.362 -0.016 20 0 CBADRP [NH3+]CCCOCCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000877053207 584164250 /nfs/dbraw/zinc/16/42/50/584164250.db2.gz GOOXMJFNQGYWRM-YUMQZZPRSA-N 2 0 251.277 -0.692 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CCOCC[NH3+] ZINC000877056060 584164529 /nfs/dbraw/zinc/16/45/29/584164529.db2.gz YJEDTNXMGORRBJ-BLDJZWNYSA-N 2 0 255.362 -0.168 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000877103716 584166105 /nfs/dbraw/zinc/16/61/05/584166105.db2.gz YOWDIRHIKKPWGI-NXEZZACHSA-N 2 0 256.350 -0.950 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000877102759 584166109 /nfs/dbraw/zinc/16/61/09/584166109.db2.gz DBQZZBCVRVLNPY-QWRGUYRKSA-N 2 0 270.377 -0.798 20 0 CBADRP CN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@H]1C[NH+]2CCC1CC2 ZINC000877146631 584167939 /nfs/dbraw/zinc/16/79/39/584167939.db2.gz WTVKLEFJZDDMPL-JQWIXIFHSA-N 2 0 266.345 -0.357 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C[NH2+]CCO1 ZINC000877151644 584168191 /nfs/dbraw/zinc/16/81/91/584168191.db2.gz OVWFXCAZOLTMRE-IUODEOHRSA-N 2 0 299.415 -0.114 20 0 CBADRP CC1(C)CC[C@@H](CNC(=O)[C@H]2C[NH2+]CCO2)[NH2+]C1 ZINC000877154038 584168201 /nfs/dbraw/zinc/16/82/01/584168201.db2.gz ZLQSEGOZGIZYAR-WDEREUQCSA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[C@H]([NH3+])C2)cn1 ZINC000877244468 584171890 /nfs/dbraw/zinc/17/18/90/584171890.db2.gz DPFGAZLZEVZHJS-UMSPYCQHSA-N 2 0 265.361 -0.088 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1=O ZINC000877243818 584172020 /nfs/dbraw/zinc/17/20/20/584172020.db2.gz OWEMCMIQEXTRNK-SRVKXCTJSA-N 2 0 282.388 -0.750 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(C)C[NH2+]CCO3)CC[C@H]21 ZINC000877248523 584172311 /nfs/dbraw/zinc/17/23/11/584172311.db2.gz AVTJHJZVNNVOAA-YRGRVCCFSA-N 2 0 267.373 -0.083 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)CN3CC[NH2+]CC3)CC[C@@H]21 ZINC000877248579 584172327 /nfs/dbraw/zinc/17/23/27/584172327.db2.gz BQXAYBQIZHPFBV-STQMWFEESA-N 2 0 266.389 -0.556 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877250628 584172589 /nfs/dbraw/zinc/17/25/89/584172589.db2.gz QYSOXRZCVICPAW-OBJOEFQTSA-N 2 0 296.415 -0.362 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CCO[C@@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000877254377 584173374 /nfs/dbraw/zinc/17/33/74/584173374.db2.gz UZMBPTUDWZNYEH-MVWJERBFSA-N 2 0 255.362 -0.146 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CCO[C@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000877254378 584173421 /nfs/dbraw/zinc/17/34/21/584173421.db2.gz UZMBPTUDWZNYEH-WCQGTBRESA-N 2 0 255.362 -0.146 20 0 CBADRP C[C@H](C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[NH+](C)C ZINC000877259837 584173607 /nfs/dbraw/zinc/17/36/07/584173607.db2.gz KNTSIEMDNCSLQC-KKOKHZNYSA-N 2 0 296.371 -0.670 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000877267267 584173907 /nfs/dbraw/zinc/17/39/07/584173907.db2.gz WOMJWMGHMAIRQV-GRYCIOLGSA-N 2 0 254.378 -0.524 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877273256 584175118 /nfs/dbraw/zinc/17/51/18/584175118.db2.gz NKPGJZSBZZWAMO-RYUDHWBXSA-N 2 0 252.362 -0.756 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000877282175 584175665 /nfs/dbraw/zinc/17/56/65/584175665.db2.gz LJNBBLYFXPVFOL-KBPBESRZSA-N 2 0 280.416 -0.023 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000877282178 584175672 /nfs/dbraw/zinc/17/56/72/584175672.db2.gz LJNBBLYFXPVFOL-ZIAGYGMSSA-N 2 0 280.416 -0.023 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877284017 584175819 /nfs/dbraw/zinc/17/58/19/584175819.db2.gz ROLDKMSBTHSVAD-AVGNSLFASA-N 2 0 294.399 -0.402 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877284018 584175859 /nfs/dbraw/zinc/17/58/59/584175859.db2.gz ROLDKMSBTHSVAD-RWMBFGLXSA-N 2 0 294.399 -0.402 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877327114 584178631 /nfs/dbraw/zinc/17/86/31/584178631.db2.gz MTZIWEVNJKSXPW-NEPJUHHUSA-N 2 0 284.404 -0.850 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000877328148 584178643 /nfs/dbraw/zinc/17/86/43/584178643.db2.gz HROWICVMVNZBRD-IJLUTSLNSA-N 2 0 267.373 -0.001 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877327115 584178676 /nfs/dbraw/zinc/17/86/76/584178676.db2.gz MTZIWEVNJKSXPW-RYUDHWBXSA-N 2 0 284.404 -0.850 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877338715 584179103 /nfs/dbraw/zinc/17/91/03/584179103.db2.gz KSDOHHJUFVBNFE-OAHLLOKOSA-N 2 0 288.395 -0.278 20 0 CBADRP COC[C@]1(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C[NH2+]CCO1 ZINC000877371793 584179810 /nfs/dbraw/zinc/17/98/10/584179810.db2.gz VQAVCVAOIOJOBU-YUTCNCBUSA-N 2 0 283.372 -0.941 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000877372184 584179901 /nfs/dbraw/zinc/17/99/01/584179901.db2.gz WUCOJOKCNQAWPY-UNJBNNCHSA-N 2 0 267.373 -0.179 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1[nH]nc3c1C[NH2+]CC3)C2 ZINC000877375455 584180171 /nfs/dbraw/zinc/18/01/71/584180171.db2.gz YKDJJBZKODQHDP-LKFCYVNXSA-N 2 0 275.356 -0.263 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877392000 584180516 /nfs/dbraw/zinc/18/05/16/584180516.db2.gz YKPXAAXXUCEPRT-NQBHXWOUSA-N 2 0 253.346 -0.234 20 0 CBADRP CN(CC[N@H+](C)CCc1nnnn1C)C1CC[NH+](C)CC1 ZINC000878312557 584199026 /nfs/dbraw/zinc/19/90/26/584199026.db2.gz OHKDAXYBPWULGA-UHFFFAOYSA-N 2 0 295.435 -0.290 20 0 CBADRP CC[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@H]1O ZINC000878321677 584199710 /nfs/dbraw/zinc/19/97/10/584199710.db2.gz SGPJAOUYEHPCMO-WCQYABFASA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+]1CCC(NC(=O)C[NH2+][C@@H](CO)C2CC2)CC1 ZINC000878420080 584202321 /nfs/dbraw/zinc/20/23/21/584202321.db2.gz LDQCWVFTNOWBJP-LBPRGKRZSA-N 2 0 255.362 -0.443 20 0 CBADRP CC(C)[C@](C)([NH2+]CC(=O)NC1CC[NH+](C)CC1)C(N)=O ZINC000878608724 584210605 /nfs/dbraw/zinc/21/06/05/584210605.db2.gz BEEBWCJLEKZDTQ-AWEZNQCLSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@]12C[NH+](C[C@H](O)C[NH+]3CCCC3)C[C@]1(C)C(=O)NC2=O ZINC000879158776 584228664 /nfs/dbraw/zinc/22/86/64/584228664.db2.gz XYMIGOJLEQIXIK-KCPJHIHWSA-N 2 0 295.383 -0.572 20 0 CBADRP OC[C@H]1C=CC[N@@H+]1CCOCC[NH+]1CC=C[C@H]1CO ZINC000880488579 584276166 /nfs/dbraw/zinc/27/61/66/584276166.db2.gz HVLQJTRPSYEBGA-OKILXGFUSA-N 2 0 268.357 -0.532 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000882488582 584319128 /nfs/dbraw/zinc/31/91/28/584319128.db2.gz GQIQJOCMBWGRBV-CHWSQXEVSA-N 2 0 266.389 -0.413 20 0 CBADRP CN(C)C(=O)[C@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CC[NH2+]1 ZINC000883431634 584341927 /nfs/dbraw/zinc/34/19/27/584341927.db2.gz ZXDJZTSQSVWDOV-GARJFASQSA-N 2 0 258.341 -0.952 20 0 CBADRP c1nnnn1CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000883429381 584342092 /nfs/dbraw/zinc/34/20/92/584342092.db2.gz TVISYXPPQNLZCJ-VXGBXAGGSA-N 2 0 250.350 -0.005 20 0 CBADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCn3cnnn3)CC2)C1 ZINC000883432886 584342249 /nfs/dbraw/zinc/34/22/49/584342249.db2.gz CNPSLWDQKWROOZ-OLZOCXBDSA-N 2 0 280.376 -0.109 20 0 CBADRP CO[C@@H]1COCC[C@H]1[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000883461590 584343185 /nfs/dbraw/zinc/34/31/85/584343185.db2.gz YIETWJAGTJZHGO-CHWSQXEVSA-N 2 0 285.388 -0.456 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884008702 584355357 /nfs/dbraw/zinc/35/53/57/584355357.db2.gz YWRTYQYTGKHFDE-GFCCVEGCSA-N 2 0 275.356 -0.336 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884024320 584356468 /nfs/dbraw/zinc/35/64/68/584356468.db2.gz OAGQBRCWVSCRLR-CYBMUJFWSA-N 2 0 289.383 -0.027 20 0 CBADRP [NH3+]C[C@H](NC(=O)c1ccnc(N2CC[NH2+]CC2)c1)C1CC1 ZINC000884036880 584357013 /nfs/dbraw/zinc/35/70/13/584357013.db2.gz JQHPIPGRAMLASH-ZDUSSCGKSA-N 2 0 289.383 -0.042 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2C[NH2+]CC2(C)C)CCO1 ZINC000884042465 584357384 /nfs/dbraw/zinc/35/73/84/584357384.db2.gz AKEVEOZVIVPMFN-HBNTYKKESA-N 2 0 255.362 -0.193 20 0 CBADRP COCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000884180297 584364481 /nfs/dbraw/zinc/36/44/81/584364481.db2.gz SQZZNFHFULABBT-STQMWFEESA-N 2 0 287.404 -0.177 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000884211869 584367558 /nfs/dbraw/zinc/36/75/58/584367558.db2.gz PZWPYDODYBGTLJ-YNEHKIRRSA-N 2 0 285.388 -0.592 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884213778 584367612 /nfs/dbraw/zinc/36/76/12/584367612.db2.gz KYMQEHSBEPGVRM-NEPJUHHUSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]([NH3+])CC1CC1)N1CC[NH+](C)CC1 ZINC000884235547 584369148 /nfs/dbraw/zinc/36/91/48/584369148.db2.gz YFCPOMMTWHWMQB-AAEUAGOBSA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884234995 584369256 /nfs/dbraw/zinc/36/92/56/584369256.db2.gz KGZNLEJENPKKPZ-WCQYABFASA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@@H](CNC(=O)[C@H]([NH3+])CC1CC1)N1CC[NH+](C)CC1 ZINC000884235549 584369387 /nfs/dbraw/zinc/36/93/87/584369387.db2.gz YFCPOMMTWHWMQB-WCQYABFASA-N 2 0 268.405 -0.134 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884286704 584372231 /nfs/dbraw/zinc/37/22/31/584372231.db2.gz JSXIDRBEYPCRDX-WDEREUQCSA-N 2 0 269.345 -0.523 20 0 CBADRP C[C@@H](NC(=O)c1ccnc(N2CC[NH2+]CC2)c1)[C@H](C)[NH3+] ZINC000884297085 584372767 /nfs/dbraw/zinc/37/27/67/584372767.db2.gz KKLQQJAHCVGMQU-WDEREUQCSA-N 2 0 277.372 -0.043 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884297082 584372824 /nfs/dbraw/zinc/37/28/24/584372824.db2.gz KKLQQJAHCVGMQU-GHMZBOCLSA-N 2 0 277.372 -0.043 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000884336371 584375226 /nfs/dbraw/zinc/37/52/26/584375226.db2.gz OQJCLVCRANGJHO-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000884342344 584375477 /nfs/dbraw/zinc/37/54/77/584375477.db2.gz YUECHJYPMQZXIR-WDEREUQCSA-N 2 0 255.362 -0.192 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000884348092 584375781 /nfs/dbraw/zinc/37/57/81/584375781.db2.gz NTEUYDUFBFAFIS-MXWKQRLJSA-N 2 0 255.362 -0.003 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000884361121 584376542 /nfs/dbraw/zinc/37/65/42/584376542.db2.gz MMNDXLONULCOMX-WJZNIJOASA-N 2 0 253.346 -0.536 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)C[NH2+]CCO1 ZINC000884365493 584377062 /nfs/dbraw/zinc/37/70/62/584377062.db2.gz KALRBTGEEYGPPM-KWBADKCTSA-N 2 0 271.361 -0.767 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884434880 584381235 /nfs/dbraw/zinc/38/12/35/584381235.db2.gz AUPBEIQJGWIMNE-NSHDSACASA-N 2 0 257.378 -0.074 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884445194 584381981 /nfs/dbraw/zinc/38/19/81/584381981.db2.gz HIXMPVBVKIPOCB-WCQYABFASA-N 2 0 289.383 -0.029 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884452227 584382471 /nfs/dbraw/zinc/38/24/71/584382471.db2.gz LHFHRZJAGVYSCE-ZDUSSCGKSA-N 2 0 263.341 -0.078 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884545490 584387373 /nfs/dbraw/zinc/38/73/73/584387373.db2.gz JCPORPKGBJSIPH-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884554371 584387846 /nfs/dbraw/zinc/38/78/46/584387846.db2.gz RYJLYVWCCRENMC-BLFANLJRSA-N 2 0 294.399 -0.467 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000884555052 584387887 /nfs/dbraw/zinc/38/78/87/584387887.db2.gz JWDJVUVABAXPJR-CMPLNLGQSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884577497 584388761 /nfs/dbraw/zinc/38/87/61/584388761.db2.gz GUFDASNDUCXIMI-JHJVBQTASA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000884577192 584388805 /nfs/dbraw/zinc/38/88/05/584388805.db2.gz ZHVOOZYHUPBKCV-FRRDWIJNSA-N 2 0 296.415 -0.217 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000884576696 584388832 /nfs/dbraw/zinc/38/88/32/584388832.db2.gz NSIMCKQCOXACLS-STQMWFEESA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884626142 584391729 /nfs/dbraw/zinc/39/17/29/584391729.db2.gz BFGHDCVWKLITKH-XQHKEYJVSA-N 2 0 294.399 -0.323 20 0 CBADRP CCN(C(=O)C(=O)NCC[NH+](CC)CC)[C@@H]1CC[NH2+]C1 ZINC000884650504 584392469 /nfs/dbraw/zinc/39/24/69/584392469.db2.gz MGCZDQQWPJJCGB-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884658905 584393135 /nfs/dbraw/zinc/39/31/35/584393135.db2.gz CBXDLYBJXWDCMS-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000884672946 584394037 /nfs/dbraw/zinc/39/40/37/584394037.db2.gz IAFMXFHLODARMU-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCCC[NH3+])CC[C@H]21 ZINC000884673000 584394219 /nfs/dbraw/zinc/39/42/19/584394219.db2.gz JVMVOKLJVBKAJD-WDEREUQCSA-N 2 0 268.361 -0.996 20 0 CBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCC[NH3+] ZINC000884673200 584394279 /nfs/dbraw/zinc/39/42/79/584394279.db2.gz QDHJSHBZXUWESW-LLVKDONJSA-N 2 0 291.355 -0.806 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CCC1(C)C ZINC000884673818 584394462 /nfs/dbraw/zinc/39/44/62/584394462.db2.gz GUTGIVKNSJKALU-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000884673537 584394497 /nfs/dbraw/zinc/39/44/97/584394497.db2.gz ZUVGJBKKRTUBHO-UHFFFAOYSA-N 2 0 282.388 -0.462 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)CCC1(C)C ZINC000884675572 584394657 /nfs/dbraw/zinc/39/46/57/584394657.db2.gz HYPUHYBLXYJMIP-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884676516 584394975 /nfs/dbraw/zinc/39/49/75/584394975.db2.gz PAGYAWCLNKHLNA-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000884678321 584395160 /nfs/dbraw/zinc/39/51/60/584395160.db2.gz WYXAWPXKWCIXBD-UTUOFQBUSA-N 2 0 280.372 -0.983 20 0 CBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000884678368 584395169 /nfs/dbraw/zinc/39/51/69/584395169.db2.gz ZBWMNJHVUONJKT-MQYJIDSJSA-N 2 0 296.415 -0.156 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC[C@@H]21 ZINC000884678753 584395414 /nfs/dbraw/zinc/39/54/14/584395414.db2.gz LSWZRDMAHKWYQD-AGIUHOORSA-N 2 0 294.399 -0.608 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000884684671 584395908 /nfs/dbraw/zinc/39/59/08/584395908.db2.gz MKXOBFJDLFTPSD-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000884684599 584395915 /nfs/dbraw/zinc/39/59/15/584395915.db2.gz KXNNUFGOSFJCHG-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC000884692512 584397573 /nfs/dbraw/zinc/39/75/73/584397573.db2.gz FDOKXZAAQMHGIM-AVGNSLFASA-N 2 0 294.399 -0.593 20 0 CBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000884692864 584397806 /nfs/dbraw/zinc/39/78/06/584397806.db2.gz BKXKGYDEIIUQFR-UHFFFAOYSA-N 2 0 282.388 -0.547 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CCC1(C)C ZINC000884714832 584399770 /nfs/dbraw/zinc/39/97/70/584399770.db2.gz BOSVZXAQPFQIRT-UHFFFAOYSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884722999 584400705 /nfs/dbraw/zinc/40/07/05/584400705.db2.gz UFAVEBHRTYVPOF-AGIUHOORSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000884775065 584401992 /nfs/dbraw/zinc/40/19/92/584401992.db2.gz XWLUHWCCJAQJCH-KKOKHZNYSA-N 2 0 282.388 -0.609 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000884824599 584403988 /nfs/dbraw/zinc/40/39/88/584403988.db2.gz DGAXYCJCMGBOMZ-NWDGAFQWSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000884986451 584406670 /nfs/dbraw/zinc/40/66/70/584406670.db2.gz QFMAQHURSGCHCX-BZUNDVKYSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885198663 584410012 /nfs/dbraw/zinc/41/00/12/584410012.db2.gz AARVORKTFJESJW-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885202597 584410094 /nfs/dbraw/zinc/41/00/94/584410094.db2.gz BMNFETNVBZQZPZ-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000885202876 584410176 /nfs/dbraw/zinc/41/01/76/584410176.db2.gz IXABCSAHYRTTNQ-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000887066063 584460855 /nfs/dbraw/zinc/46/08/55/584460855.db2.gz BYFGLKBSGHHYHG-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP CC[N@H+](C)C[C@H](O)Cn1cc(CN2CCC[C@@H]([NH3+])C2)nn1 ZINC000887451202 584468155 /nfs/dbraw/zinc/46/81/55/584468155.db2.gz IXRLIZNRPJISKH-OCCSQVGLSA-N 2 0 296.419 -0.486 20 0 CBADRP CC[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000890056201 584539641 /nfs/dbraw/zinc/53/96/41/584539641.db2.gz RJTSXLMRXWSNRV-RYUDHWBXSA-N 2 0 270.377 -0.554 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000891513940 584583461 /nfs/dbraw/zinc/58/34/61/584583461.db2.gz KHPDEANIMLUKMJ-CYDGBPFRSA-N 2 0 282.388 -0.114 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891527341 584584306 /nfs/dbraw/zinc/58/43/06/584584306.db2.gz KCSGYSSAOSIZRZ-AVGNSLFASA-N 2 0 281.404 -0.622 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000891527799 584584375 /nfs/dbraw/zinc/58/43/75/584584375.db2.gz LOLJSXUKZDIFAQ-FRRDWIJNSA-N 2 0 283.420 -0.247 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000891540841 584584714 /nfs/dbraw/zinc/58/47/14/584584714.db2.gz YVPCAZHJVWERKL-GRYCIOLGSA-N 2 0 269.393 -0.637 20 0 CBADRP CCN(C(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@H]1CC[NH2+]C1 ZINC000891540393 584584837 /nfs/dbraw/zinc/58/48/37/584584837.db2.gz QALNIDLXVSHAOV-STQMWFEESA-N 2 0 283.420 -0.374 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891540604 584584843 /nfs/dbraw/zinc/58/48/43/584584843.db2.gz USARHJLEOWQKPS-KCQAQPDRSA-N 2 0 295.431 -0.517 20 0 CBADRP Cc1cc(N)nc(N2CCN(C(=O)C[NH+](C)C)CC2)[nH+]1 ZINC000891766288 584591956 /nfs/dbraw/zinc/59/19/56/584591956.db2.gz ZEFZKAPPVXWDEZ-UHFFFAOYSA-N 2 0 278.360 -0.423 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCOCC[NH+](C)C ZINC000891840785 584593023 /nfs/dbraw/zinc/59/30/23/584593023.db2.gz DEJLKIRAJVRPBL-MNOVXSKESA-N 2 0 258.366 -0.304 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000891919842 584594473 /nfs/dbraw/zinc/59/44/73/584594473.db2.gz URNQFKZMTIMKNV-RYUDHWBXSA-N 2 0 270.377 -0.160 20 0 CBADRP [NH3+][C@H]1CCCCCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000891970781 584596059 /nfs/dbraw/zinc/59/60/59/584596059.db2.gz ODZGGPXGIUUXKQ-LBPRGKRZSA-N 2 0 297.403 -0.669 20 0 CBADRP O=C(CNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2)N1CC[NH2+]CC1 ZINC000891969875 584596071 /nfs/dbraw/zinc/59/60/71/584596071.db2.gz CEIMISITJHHCQS-RISCZKNCSA-N 2 0 295.387 -0.998 20 0 CBADRP [NH3+]CCNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000891976900 584596900 /nfs/dbraw/zinc/59/69/00/584596900.db2.gz POQBGBOQILENAF-BQBZGAKWSA-N 2 0 254.256 -0.276 20 0 CBADRP [NH3+]CCCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891985440 584597107 /nfs/dbraw/zinc/59/71/07/584597107.db2.gz DOVYHCIDHUZZMH-NSHDSACASA-N 2 0 270.377 -0.207 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCCC[NH3+])C1 ZINC000891985210 584597119 /nfs/dbraw/zinc/59/71/19/584597119.db2.gz YNKSMYDHHISVIM-JTQLQIEISA-N 2 0 258.366 -0.520 20 0 CBADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@@H]1CC[NH2+]C1 ZINC000892000917 584598251 /nfs/dbraw/zinc/59/82/51/584598251.db2.gz DERAFYXCRHJLIQ-NEPJUHHUSA-N 2 0 282.388 -0.194 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N[C@H]1CC[NH2+]C1 ZINC000892008724 584598855 /nfs/dbraw/zinc/59/88/55/584598855.db2.gz WDPPZKAJWMOSGK-IUCAKERBSA-N 2 0 262.304 -0.108 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000892024129 584599293 /nfs/dbraw/zinc/59/92/93/584599293.db2.gz OCMDUPBAIJJFDD-RYUDHWBXSA-N 2 0 284.404 -0.132 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000892051721 584601605 /nfs/dbraw/zinc/60/16/05/584601605.db2.gz WUELXHVLTYUYES-CHWSQXEVSA-N 2 0 284.404 -0.042 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000892051726 584601620 /nfs/dbraw/zinc/60/16/20/584601620.db2.gz WUELXHVLTYUYES-STQMWFEESA-N 2 0 284.404 -0.042 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000892054709 584601938 /nfs/dbraw/zinc/60/19/38/584601938.db2.gz FYVQPQQWJYPRSM-GHMZBOCLSA-N 2 0 258.366 -0.209 20 0 CBADRP [NH3+]C/C=C\CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892122397 584605492 /nfs/dbraw/zinc/60/54/92/584605492.db2.gz OILMFUGMTSFRRB-BIOMNHJASA-N 2 0 282.388 -0.041 20 0 CBADRP CCN(C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CC[NH2+]C1 ZINC000892165795 584606899 /nfs/dbraw/zinc/60/68/99/584606899.db2.gz DBJVQCWZNQOAKV-NEPJUHHUSA-N 2 0 270.377 -0.242 20 0 CBADRP CC(C)([NH3+])CCNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000892166240 584607031 /nfs/dbraw/zinc/60/70/31/584607031.db2.gz HVGIFVFRLRZKNM-SNVBAGLBSA-N 2 0 258.366 -0.209 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000892168567 584607105 /nfs/dbraw/zinc/60/71/05/584607105.db2.gz JRBOEZVWTSMBCP-OBJOEFQTSA-N 2 0 282.388 -0.051 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000892170606 584607145 /nfs/dbraw/zinc/60/71/45/584607145.db2.gz VBFKCLVPBIUSHM-MXWKQRLJSA-N 2 0 256.350 -0.504 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000892188979 584608690 /nfs/dbraw/zinc/60/86/90/584608690.db2.gz KYEIBQKBERPIFN-NXEZZACHSA-N 2 0 292.330 -0.481 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000892189981 584608726 /nfs/dbraw/zinc/60/87/26/584608726.db2.gz QTFZSKCOIOBYKB-MXWKQRLJSA-N 2 0 256.350 -0.456 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC1([NH3+])CCOCC1 ZINC000892279078 584611881 /nfs/dbraw/zinc/61/18/81/584611881.db2.gz NAAGOBQCKKVBLU-ZJUUUORDSA-N 2 0 256.350 -0.375 20 0 CBADRP C[NH2+]CCOCCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000892279745 584611885 /nfs/dbraw/zinc/61/18/85/584611885.db2.gz BFHBJRVZWZZKCF-JTQLQIEISA-N 2 0 294.346 -0.234 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000892282015 584612009 /nfs/dbraw/zinc/61/20/09/584612009.db2.gz VXGZWKPOLJOZDF-YPMHNXCESA-N 2 0 270.377 -0.194 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000892282032 584612155 /nfs/dbraw/zinc/61/21/55/584612155.db2.gz KCEVUARZJJRBDO-CHWSQXEVSA-N 2 0 284.404 -0.042 20 0 CBADRP CCN(C(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000892287036 584612443 /nfs/dbraw/zinc/61/24/43/584612443.db2.gz GIZWTQROWKUNKA-MNOVXSKESA-N 2 0 256.350 -0.632 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000892287532 584612533 /nfs/dbraw/zinc/61/25/33/584612533.db2.gz OSUWOGWXXYLPNC-NXEZZACHSA-N 2 0 292.330 -0.481 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000892288693 584612771 /nfs/dbraw/zinc/61/27/71/584612771.db2.gz FRJXSPZMZUVWFC-WZRBSPASSA-N 2 0 268.361 -0.441 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3COCC[NH2+]3)CC[C@@H]21 ZINC000892288991 584612942 /nfs/dbraw/zinc/61/29/42/584612942.db2.gz IMBLIFYODRYUTE-AGIUHOORSA-N 2 0 282.388 -0.290 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000892430335 584616785 /nfs/dbraw/zinc/61/67/85/584616785.db2.gz HEQVJKNAAPGWQV-AVGNSLFASA-N 2 0 284.404 -0.130 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000892551921 584618448 /nfs/dbraw/zinc/61/84/48/584618448.db2.gz PXKLHVNJNALWMQ-MPZDIEGVSA-N 2 0 282.388 -0.114 20 0 CBADRP CN1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C[NH3+])C1 ZINC000892586888 584620128 /nfs/dbraw/zinc/62/01/28/584620128.db2.gz GDRCRXUJBFGIMH-XJFOESAGSA-N 2 0 295.431 -0.199 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000892593015 584620516 /nfs/dbraw/zinc/62/05/16/584620516.db2.gz GCNOYBHECGXUTI-XFMPKHEZSA-N 2 0 296.415 -0.117 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000892686885 584622852 /nfs/dbraw/zinc/62/28/52/584622852.db2.gz FIBUGIRETOLFLK-BETUJISGSA-N 2 0 284.404 -0.232 20 0 CBADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892759602 584625147 /nfs/dbraw/zinc/62/51/47/584625147.db2.gz KAKWRIYMHAAFFU-RWMBFGLXSA-N 2 0 294.399 -0.099 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCCC(C)(C)[NH3+])CCO1 ZINC000892851230 584628531 /nfs/dbraw/zinc/62/85/31/584628531.db2.gz RWRWTZHDBWOVMO-ZJUUUORDSA-N 2 0 258.366 -0.129 20 0 CBADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC000894726427 584663186 /nfs/dbraw/zinc/66/31/86/584663186.db2.gz UGFLOEQZYIJJNU-PHIMTYICSA-N 2 0 251.330 -0.467 20 0 CBADRP C[NH+]1CCC(C[NH2+]C[C@H](O)Cn2ccnn2)CC1 ZINC000894858627 584665806 /nfs/dbraw/zinc/66/58/06/584665806.db2.gz IPWSIUAUIBBIDL-LBPRGKRZSA-N 2 0 253.350 -0.430 20 0 CBADRP CNS(=O)(=O)CCC[NH2+]CC1CC[NH+](C)CC1 ZINC000895755060 584686599 /nfs/dbraw/zinc/68/65/99/584686599.db2.gz SHIKSBVUMWYTSE-UHFFFAOYSA-N 2 0 263.407 -0.143 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCC(O)CC1 ZINC000896459318 584699527 /nfs/dbraw/zinc/69/95/27/584699527.db2.gz DYXVJVRLKJWKRY-GFCCVEGCSA-N 2 0 284.404 -0.164 20 0 CBADRP C[C@@H](NC(=O)[C@H](C)[NH+](C)C)[C@@H]1C[N@H+](C)CCN1C ZINC000896531569 584700948 /nfs/dbraw/zinc/70/09/48/584700948.db2.gz PSWNUTWWUHKTGA-WOPDTQHZSA-N 2 0 256.394 -0.313 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H](C(N)=O)C1 ZINC000896682450 584704800 /nfs/dbraw/zinc/70/48/00/584704800.db2.gz SXNFYFIHOKEMOK-QWHCGFSZSA-N 2 0 298.431 -0.160 20 0 CBADRP O=C(NCC[NH+]1CCC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897169297 584709328 /nfs/dbraw/zinc/70/93/28/584709328.db2.gz CDJGTMSWOISMFJ-LBPRGKRZSA-N 2 0 253.346 -0.471 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000897495193 584718174 /nfs/dbraw/zinc/71/81/74/584718174.db2.gz SMNDTNYIUGEBTO-TZMCWYRMSA-N 2 0 284.404 -0.164 20 0 CBADRP C[C@H]1CCC[N@@H+]1CCNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000897518211 584719741 /nfs/dbraw/zinc/71/97/41/584719741.db2.gz HPRUMKZCZZPZSU-STQMWFEESA-N 2 0 284.404 -0.164 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CCO ZINC000899734298 584777230 /nfs/dbraw/zinc/77/72/30/584777230.db2.gz ZRLMIKKHUFWAOS-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP C[NH+](CC(=O)NCC[N@H+](C)CCO)[C@H]1CCSC1 ZINC000899736796 584777503 /nfs/dbraw/zinc/77/75/03/584777503.db2.gz VAZBUAFJYNKXDM-NSHDSACASA-N 2 0 275.418 -0.536 20 0 CBADRP O[C@H](C[NH2+]CCCC[NH+]1CCOCC1)C1(O)CCC1 ZINC000899869852 584782185 /nfs/dbraw/zinc/78/21/85/584782185.db2.gz BIWHFNCIXGFWGC-CYBMUJFWSA-N 2 0 272.389 -0.036 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000899904872 584783574 /nfs/dbraw/zinc/78/35/74/584783574.db2.gz RASKTCPCDAWUTM-DGCLKSJQSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)C(C)(C)CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000899963062 584787007 /nfs/dbraw/zinc/78/70/07/584787007.db2.gz BCBZWMFATIEYAB-GXFFZTMASA-N 2 0 257.378 -0.102 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)C1CC1 ZINC000900283470 584798196 /nfs/dbraw/zinc/79/81/96/584798196.db2.gz RXRWZGZRIPQUNY-OUCADQQQSA-N 2 0 269.389 -0.102 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000900441817 584804301 /nfs/dbraw/zinc/80/43/01/584804301.db2.gz ODFQNKFLNZIEOU-KYEXWDHISA-N 2 0 297.399 -0.579 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC1CC[NH+](C)CC1 ZINC000900486083 584807466 /nfs/dbraw/zinc/80/74/66/584807466.db2.gz WVIKYXRTYZVIDW-OCCSQVGLSA-N 2 0 269.389 -0.101 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900562445 584812237 /nfs/dbraw/zinc/81/22/37/584812237.db2.gz XORWQJZTALOFFT-TZMCWYRMSA-N 2 0 269.389 -0.004 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900562442 584812277 /nfs/dbraw/zinc/81/22/77/584812277.db2.gz XORWQJZTALOFFT-GXTWGEPZSA-N 2 0 269.389 -0.004 20 0 CBADRP C[NH+](C)C1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900631625 584817795 /nfs/dbraw/zinc/81/77/95/584817795.db2.gz AXCUOVKUMAGYKR-TZMCWYRMSA-N 2 0 269.389 -0.006 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900694389 584822367 /nfs/dbraw/zinc/82/23/67/584822367.db2.gz HVXOBQDBGSBOIX-NTZNESFSSA-N 2 0 257.378 -0.102 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900694385 584822454 /nfs/dbraw/zinc/82/24/54/584822454.db2.gz HVXOBQDBGSBOIX-MDZLAQPJSA-N 2 0 257.378 -0.102 20 0 CBADRP CC(C)[N@H+](C)CCNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000900698534 584822910 /nfs/dbraw/zinc/82/29/10/584822910.db2.gz HJTGFUOHKYGCBJ-WCQYABFASA-N 2 0 257.378 -0.102 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900926355 584833279 /nfs/dbraw/zinc/83/32/79/584833279.db2.gz GMLQOLDFPLLGFV-CYBMUJFWSA-N 2 0 257.378 -0.147 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000901327014 584860991 /nfs/dbraw/zinc/86/09/91/584860991.db2.gz JWIRVCTXMUTWKW-DGCLKSJQSA-N 2 0 257.378 -0.148 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000901342092 584861869 /nfs/dbraw/zinc/86/18/69/584861869.db2.gz YURVPNLAIZTDFI-DGCLKSJQSA-N 2 0 273.377 -0.864 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)OC1COC1 ZINC000902845111 584885045 /nfs/dbraw/zinc/88/50/45/584885045.db2.gz PLPBPZLANGITSO-UHFFFAOYSA-N 2 0 259.350 -0.053 20 0 CBADRP C[C@@H]([NH2+]C[C@@]1(CO)COCCN1C)C1CC[NH+](C)CC1 ZINC000903283020 584889933 /nfs/dbraw/zinc/88/99/33/584889933.db2.gz VZOANXCJHJPACN-UKRRQHHQSA-N 2 0 285.432 -0.001 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000903453816 584890589 /nfs/dbraw/zinc/89/05/89/584890589.db2.gz MSZLUEVWXZJJNF-HZSPNIEDSA-N 3 0 252.406 -0.179 20 0 CBADRP CON1CC[C@H]([NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1=O ZINC000903454066 584890726 /nfs/dbraw/zinc/89/07/26/584890726.db2.gz UCQWJVAOJVGEJI-AGIUHOORSA-N 2 0 283.372 -0.023 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000903476295 584891078 /nfs/dbraw/zinc/89/10/78/584891078.db2.gz TZHSBRLZZOWEPS-ITGHMWBKSA-N 2 0 294.399 -0.291 20 0 CBADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000903475749 584891133 /nfs/dbraw/zinc/89/11/33/584891133.db2.gz CDKLOYAVKMCOEW-VJTDZRGJSA-N 3 0 294.399 -0.019 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC000903493146 584891832 /nfs/dbraw/zinc/89/18/32/584891832.db2.gz VMLAHSWWQUISKM-ZOWXZIJZSA-N 2 0 295.383 -0.179 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCC(=O)N(C)C)C2 ZINC000903493907 584891859 /nfs/dbraw/zinc/89/18/59/584891859.db2.gz ZXSRHZQOXQSOED-WDMOLILDSA-N 2 0 283.372 -0.323 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000903493876 584891912 /nfs/dbraw/zinc/89/19/12/584891912.db2.gz YVCZXTCCQRYLBL-GUTXKFCHSA-N 3 0 296.415 -0.896 20 0 CBADRP [NH3+][C@@H]1CN(CCN2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000903514885 584892250 /nfs/dbraw/zinc/89/22/50/584892250.db2.gz YCLOEWPGRUWLFO-NXEZZACHSA-N 2 0 266.311 -0.287 20 0 CBADRP [NH3+]C[C@]12CC[C@H]1CCCN2S(=O)(=O)N1CC[NH2+]CC1 ZINC000903531542 584892713 /nfs/dbraw/zinc/89/27/13/584892713.db2.gz MBVXDXSFRDWRAX-VXGBXAGGSA-N 2 0 288.417 -0.660 20 0 CBADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000903550033 584892882 /nfs/dbraw/zinc/89/28/82/584892882.db2.gz LOBMXTUGOMOHOL-CHWSQXEVSA-N 2 0 296.396 -0.649 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000903550441 584892914 /nfs/dbraw/zinc/89/29/14/584892914.db2.gz GAUYYABTMPTUTJ-VHSXEESVSA-N 2 0 261.391 -0.344 20 0 CBADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000903550691 584892975 /nfs/dbraw/zinc/89/29/75/584892975.db2.gz VMLAZRZIDLUXLL-VXGBXAGGSA-N 2 0 267.354 -0.498 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NCCN1CCC([NH3+])CC1 ZINC000903564070 584893315 /nfs/dbraw/zinc/89/33/15/584893315.db2.gz PHHFSPNBBMLLON-UHFFFAOYSA-N 2 0 292.449 -0.719 20 0 CBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CCCCC[NH2+]1 ZINC000903565116 584893412 /nfs/dbraw/zinc/89/34/12/584893412.db2.gz RDZQPZXACOOZMU-NWDGAFQWSA-N 2 0 291.417 -0.574 20 0 CBADRP O=S(=O)(NC[C@H]1CCCCC[NH2+]1)N1CC[NH2+]CC1 ZINC000903567131 584893534 /nfs/dbraw/zinc/89/35/34/584893534.db2.gz YWOHQHFMBRXMTE-LLVKDONJSA-N 2 0 276.406 -0.742 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903586844 584894028 /nfs/dbraw/zinc/89/40/28/584894028.db2.gz KZNATXQLTFJJTE-LLVKDONJSA-N 2 0 290.433 -0.416 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC[C@]12CC[NH2+]C2 ZINC000903593178 584894255 /nfs/dbraw/zinc/89/42/55/584894255.db2.gz XKNAZGYZFTYMAP-NWDGAFQWSA-N 2 0 289.401 -0.868 20 0 CBADRP O=S(=O)(N[C@]12CCC[C@H]1C[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC000903609475 584894965 /nfs/dbraw/zinc/89/49/65/584894965.db2.gz GUZIPNXZZZMTGM-TUAOUCFPSA-N 2 0 273.402 -0.200 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000903713616 584895423 /nfs/dbraw/zinc/89/54/23/584895423.db2.gz XQBZHSSLFPQYMJ-ZOBORPQBSA-N 2 0 297.399 -0.423 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903717125 584895652 /nfs/dbraw/zinc/89/56/52/584895652.db2.gz HEILCSHVASTHON-CRWXNKLISA-N 2 0 269.389 -0.197 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)C[C@H]1CC[NH3+] ZINC000903719603 584895770 /nfs/dbraw/zinc/89/57/70/584895770.db2.gz PHVZZZWQERSOMJ-VXGBXAGGSA-N 2 0 284.404 -0.550 20 0 CBADRP CC(=O)NC[C@@H]1CN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903729212 584896175 /nfs/dbraw/zinc/89/61/75/584896175.db2.gz KUJCFOWMLHOABC-ZNMIVQPWSA-N 2 0 297.399 -0.408 20 0 CBADRP CC[C@@H]1C(=O)NCCN1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903730788 584896214 /nfs/dbraw/zinc/89/62/14/584896214.db2.gz ZHMAOPMYUCKZHP-OUCADQQQSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]C[C@@H]1CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903744517 584896706 /nfs/dbraw/zinc/89/67/06/584896706.db2.gz UIPJIEZBYSCDEI-CHWSQXEVSA-N 2 0 269.389 -0.195 20 0 CBADRP [NH3+]C[C@@H]1CN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903743891 584896719 /nfs/dbraw/zinc/89/67/19/584896719.db2.gz OUQBXAOGANRQHF-JHJVBQTASA-N 2 0 255.362 -0.586 20 0 CBADRP [NH3+]C[C@@H]1CN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903743893 584896831 /nfs/dbraw/zinc/89/68/31/584896831.db2.gz OUQBXAOGANRQHF-XQQFMLRXSA-N 2 0 255.362 -0.586 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903760881 584897857 /nfs/dbraw/zinc/89/78/57/584897857.db2.gz WMCSZUCQPXCFCT-LBPRGKRZSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@]1(C(N)=O)CC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903765479 584897961 /nfs/dbraw/zinc/89/79/61/584897961.db2.gz IFPDIXXKTQIPCX-KWCYVHTRSA-N 2 0 267.373 -0.048 20 0 CBADRP NS(=O)(=O)C[C@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903788183 584899643 /nfs/dbraw/zinc/89/96/43/584899643.db2.gz DSRZAIKSGUIJPZ-RYUDHWBXSA-N 2 0 275.418 -0.014 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000903787658 584899697 /nfs/dbraw/zinc/89/96/97/584899697.db2.gz XVHKIVOUKBMLKZ-QWHCGFSZSA-N 2 0 257.378 -0.771 20 0 CBADRP C[NH2+]CCN(C(=O)C(=O)N(C)CC[NH+](C)C)C(C)C ZINC000903808517 584900381 /nfs/dbraw/zinc/90/03/81/584900381.db2.gz HSFBEKNWSBDHBJ-UHFFFAOYSA-N 2 0 272.393 -0.537 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903817691 584900716 /nfs/dbraw/zinc/90/07/16/584900716.db2.gz DOLJFRFGJWINCM-UHFFFAOYSA-N 3 0 257.378 -0.194 20 0 CBADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1CS(N)(=O)=O ZINC000903825594 584900963 /nfs/dbraw/zinc/90/09/63/584900963.db2.gz AGTFBFRDCFMNJZ-WYUUTHIRSA-N 2 0 275.418 -0.030 20 0 CBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000903827217 584900980 /nfs/dbraw/zinc/90/09/80/584900980.db2.gz QRFKQRHQNGWJMH-DRZSPHRISA-N 2 0 255.362 -0.456 20 0 CBADRP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)C[C@H]1CS(N)(=O)=O ZINC000903825918 584901035 /nfs/dbraw/zinc/90/10/35/584901035.db2.gz FFDSURWULICRMC-MXWKQRLJSA-N 2 0 261.391 -0.548 20 0 CBADRP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1CS(N)(=O)=O ZINC000903827510 584901145 /nfs/dbraw/zinc/90/11/45/584901145.db2.gz UYMZIKGWMSMRLF-UTUOFQBUSA-N 2 0 275.418 -0.158 20 0 CBADRP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000903830038 584901148 /nfs/dbraw/zinc/90/11/48/584901148.db2.gz RDQYKHPUWVYADG-RWMBFGLXSA-N 2 0 268.357 -0.003 20 0 CBADRP C[C@@H]1CCOCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000903832438 584901415 /nfs/dbraw/zinc/90/14/15/584901415.db2.gz RRSNPBZTLWKCMD-GFCCVEGCSA-N 2 0 255.362 -0.081 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000903839451 584901692 /nfs/dbraw/zinc/90/16/92/584901692.db2.gz LCFOQGMPMGTIOJ-UONOGXRCSA-N 2 0 271.405 -0.247 20 0 CBADRP CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000903874312 584902939 /nfs/dbraw/zinc/90/29/39/584902939.db2.gz XUJLBHZQRRWPOG-NEPJUHHUSA-N 2 0 264.377 -0.004 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C[C@H]([NH3+])CC(F)F ZINC000903873893 584902941 /nfs/dbraw/zinc/90/29/41/584902941.db2.gz NNSMPVSMUBUKIC-SNVBAGLBSA-N 2 0 250.337 -0.194 20 0 CBADRP O=C1NC[C@@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC000903896873 584904179 /nfs/dbraw/zinc/90/41/79/584904179.db2.gz ALUODARZYMUFTE-PSEXLTFBSA-N 2 0 292.383 -0.840 20 0 CBADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903906687 584904396 /nfs/dbraw/zinc/90/43/96/584904396.db2.gz XVLKWLUTYDAVBH-FRRDWIJNSA-N 2 0 276.388 -0.146 20 0 CBADRP Cc1c(C[C@H](C[NH3+])CN2CCO[C@H](C[NH3+])C2)cnn1C ZINC000903905626 584904442 /nfs/dbraw/zinc/90/44/42/584904442.db2.gz KBQMZWMBRZFHAV-TZMCWYRMSA-N 2 0 281.404 -0.495 20 0 CBADRP CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)C1C[NH2+]C1 ZINC000903917806 584904492 /nfs/dbraw/zinc/90/44/92/584904492.db2.gz NQWNQBPZZQOAST-SNVBAGLBSA-N 2 0 250.350 -0.394 20 0 CBADRP Cc1c(C[C@H](C[NH3+])CN(CC[NH3+])CCO)cnn1C ZINC000903919618 584904696 /nfs/dbraw/zinc/90/46/96/584904696.db2.gz OYIGJNWRGLGXJC-GFCCVEGCSA-N 2 0 269.393 -0.901 20 0 CBADRP Cc1c(C[C@H](C[NH3+])C[N@H+](C)CCOCC[NH3+])cnn1C ZINC000903933945 584904923 /nfs/dbraw/zinc/90/49/23/584904923.db2.gz BSECYLNPAVBYMA-CYBMUJFWSA-N 3 0 283.420 -0.247 20 0 CBADRP C[NH2+]C[C@H](C)NCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903933248 584904977 /nfs/dbraw/zinc/90/49/77/584904977.db2.gz NDKQIWSZVGVEQR-QWRGUYRKSA-N 2 0 252.366 -0.100 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000903967726 584905097 /nfs/dbraw/zinc/90/50/97/584905097.db2.gz MEEOUPGOCYLJFB-MNOVXSKESA-N 2 0 275.418 -0.145 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@]13C[C@H]1C[NH2+]C3)C2 ZINC000903977092 584905542 /nfs/dbraw/zinc/90/55/42/584905542.db2.gz ISVFPVIEMPKMLS-OBORUHMCSA-N 3 0 279.384 -0.192 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000903975200 584905557 /nfs/dbraw/zinc/90/55/57/584905557.db2.gz ZOTNGCVMFRKUSX-GHMZBOCLSA-N 2 0 280.372 -0.581 20 0 CBADRP CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[NH+]1CCCC1 ZINC000961468850 614304406 /nfs/dbraw/zinc/30/44/06/614304406.db2.gz YNUVAZKDYJBVIQ-ITGUQSILSA-N 2 0 281.400 -0.101 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000968850511 614660253 /nfs/dbraw/zinc/66/02/53/614660253.db2.gz BLXOXUKZFSKYBI-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000960185623 614665015 /nfs/dbraw/zinc/66/50/15/614665015.db2.gz RHHPFFIGYXPMFT-RQJABVFESA-N 2 0 281.400 -0.101 20 0 CBADRP CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958593877 614813273 /nfs/dbraw/zinc/81/32/73/614813273.db2.gz CGESKZWMTZWKPY-OLZOCXBDSA-N 2 0 281.400 -0.099 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC000969985648 615374763 /nfs/dbraw/zinc/37/47/63/615374763.db2.gz LANRRYMPFWGQQT-MXWKQRLJSA-N 2 0 270.377 -0.609 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCO)C1)[NH+](C)C ZINC000972355796 615376389 /nfs/dbraw/zinc/37/63/89/615376389.db2.gz ZTVNOVHTVAJSBS-RYUDHWBXSA-N 2 0 257.378 -0.148 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1)[NH+](C)C ZINC000969074585 615602769 /nfs/dbraw/zinc/60/27/69/615602769.db2.gz JSSDKTBMGZOCKM-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC000968921738 615822000 /nfs/dbraw/zinc/82/20/00/615822000.db2.gz HTRBUNFFBFXGMD-YPMHNXCESA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+](C)[C@H](C(=O)N1CCC[N@H+](CCO)CC1)C1CC1 ZINC000981333968 615987994 /nfs/dbraw/zinc/98/79/94/615987994.db2.gz WKCOGMTUCQEQGC-ZDUSSCGKSA-N 2 0 269.389 -0.147 20 0 CBADRP C[NH+](CCO)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000971689207 616045273 /nfs/dbraw/zinc/04/52/73/616045273.db2.gz GBIORISIEMHSIQ-ZDUSSCGKSA-N 2 0 269.389 -0.004 20 0 CBADRP C[N@@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980406596 616116616 /nfs/dbraw/zinc/11/66/16/616116616.db2.gz QSYJELHBEACQHG-QWHCGFSZSA-N 2 0 294.399 -0.497 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCCO)C[C@@H]2O)CC1 ZINC000958373477 616167222 /nfs/dbraw/zinc/16/72/22/616167222.db2.gz FVRRIWAIORPRAT-KGLIPLIRSA-N 2 0 299.415 -0.881 20 0 CBADRP C[NH+]1CCC(OCC(=O)N2CC[C@@H]([NH2+]CCO)C2)CC1 ZINC000970354579 616175039 /nfs/dbraw/zinc/17/50/39/616175039.db2.gz BPFLLOPHFUFIBX-GFCCVEGCSA-N 2 0 285.388 -0.720 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21 ZINC000958414833 616212974 /nfs/dbraw/zinc/21/29/74/616212974.db2.gz LHNZHDWSNHLOLZ-QNWHQSFQSA-N 2 0 267.373 -0.491 20 0 CBADRP CN(CC(N)=O)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000971715011 616213344 /nfs/dbraw/zinc/21/33/44/616213344.db2.gz CILPBKFVCWPDKD-STQMWFEESA-N 2 0 296.415 -0.121 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000979086371 616266588 /nfs/dbraw/zinc/26/65/88/616266588.db2.gz OKLYZMOVWLSKKY-SYQHCUMBSA-N 2 0 281.400 -0.386 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000979078209 616266708 /nfs/dbraw/zinc/26/67/08/616266708.db2.gz DHOURQRCNYOCCJ-LPWJVIDDSA-N 2 0 267.373 -0.776 20 0 CBADRP CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000962558170 616267786 /nfs/dbraw/zinc/26/77/86/616267786.db2.gz UJKYHWMDVCIDDM-NMKXLXIOSA-N 2 0 294.399 -0.927 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CC(N)=O)CC2(C)C)C1 ZINC000977452047 616269434 /nfs/dbraw/zinc/26/94/34/616269434.db2.gz KGPKTIRAAINPIR-NWDGAFQWSA-N 2 0 296.415 -0.360 20 0 CBADRP COCCN1CCN(C(=O)[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000949840632 616363102 /nfs/dbraw/zinc/36/31/02/616363102.db2.gz IRARUGZUSVXODV-AWEZNQCLSA-N 2 0 299.415 -0.114 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4cnon4)C[C@H]32)C1 ZINC000962582886 616380983 /nfs/dbraw/zinc/38/09/83/616380983.db2.gz BPXOKGRINHQHMF-FTYKPCCVSA-N 2 0 291.355 -0.432 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CN(CC(N)=O)CC2(C)C)C1 ZINC000977452045 616393510 /nfs/dbraw/zinc/39/35/10/616393510.db2.gz KGPKTIRAAINPIR-NEPJUHHUSA-N 2 0 296.415 -0.360 20 0 CBADRP COCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958590957 616450717 /nfs/dbraw/zinc/45/07/17/616450717.db2.gz DCXVTVAKLHQFGL-STQMWFEESA-N 2 0 297.399 -0.863 20 0 CBADRP CCO[C@@H](CNS(=O)(=O)[C@@H]1CCC[NH2+]C1)C[NH+](C)C ZINC000923675540 658393836 /nfs/dbraw/zinc/39/38/36/658393836.db2.gz CLYGTKDTDDQTKB-NWDGAFQWSA-N 2 0 293.433 -0.376 20 0 CBADRP C[N@H+](CCNC(=O)C[NH+]1CCCC1)CCOCCO ZINC000922118434 658001119 /nfs/dbraw/zinc/00/11/19/658001119.db2.gz YTNZJZYSVHVLHA-UHFFFAOYSA-N 2 0 273.377 -0.861 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923673673 658394785 /nfs/dbraw/zinc/39/47/85/658394785.db2.gz LUNAMVVNYZZJGQ-VWYCJHECSA-N 2 0 261.391 -0.487 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)NCCOCC[NH+](C)C)CC[N@@H+]1C ZINC000922145261 658009747 /nfs/dbraw/zinc/00/97/47/658009747.db2.gz SFSKYMPLVUNHMS-NEPJUHHUSA-N 2 0 272.393 -0.044 20 0 CBADRP CCO[C@@H](CNS(=O)(=O)[C@H]1CCC[NH2+]C1)C[NH+](C)C ZINC000923675541 658394881 /nfs/dbraw/zinc/39/48/81/658394881.db2.gz CLYGTKDTDDQTKB-RYUDHWBXSA-N 2 0 293.433 -0.376 20 0 CBADRP O=S(=O)(NC[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000923673741 658395145 /nfs/dbraw/zinc/39/51/45/658395145.db2.gz KBPLJTSWNNCJHJ-ZJUUUORDSA-N 2 0 297.371 -0.097 20 0 CBADRP [NH3+]C1CCN(CCNS(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923677993 658396731 /nfs/dbraw/zinc/39/67/31/658396731.db2.gz QKQWWLMUXJNRSR-LBPRGKRZSA-N 2 0 290.433 -0.919 20 0 CBADRP C[C@H](C1CC1)N(C(=O)CNC(C[NH3+])C[NH3+])C1CC1 ZINC000923352637 658224215 /nfs/dbraw/zinc/22/42/15/658224215.db2.gz YOXNQGRLWALHOJ-SECBINFHSA-N 2 0 254.378 -0.349 20 0 CBADRP [NH3+]CC(C[NH3+])N[C@H]1CCN(c2ccccc2F)C1=O ZINC000923352210 658224616 /nfs/dbraw/zinc/22/46/16/658224616.db2.gz QXWZFNHTEHCQQA-NSHDSACASA-N 2 0 266.320 -0.193 20 0 CBADRP [NH3+]CC(C[NH3+])NCC(=O)NCCc1ccc(F)cc1 ZINC000923352554 658224642 /nfs/dbraw/zinc/22/46/42/658224642.db2.gz OUQINAQSAWOCOM-UHFFFAOYSA-N 2 0 268.336 -0.640 20 0 CBADRP Cc1ccc(CNC(=O)[C@H](C)NC(C[NH3+])C[NH3+])cc1 ZINC000923352553 658224990 /nfs/dbraw/zinc/22/49/90/658224990.db2.gz OSSZZJJKJRGFOX-NSHDSACASA-N 2 0 264.373 -0.125 20 0 CBADRP CN(CC1CCCCC1)C(=O)CNC(C[NH3+])C[NH3+] ZINC000923351386 658225447 /nfs/dbraw/zinc/22/54/47/658225447.db2.gz KKBFWXGKNOLCON-UHFFFAOYSA-N 2 0 256.394 -0.099 20 0 CBADRP Cc1ccccc1CNC(=O)[C@H](C)NC(C[NH3+])C[NH3+] ZINC000923351054 658225555 /nfs/dbraw/zinc/22/55/55/658225555.db2.gz FSNRUOYGIJCJRJ-NSHDSACASA-N 2 0 264.373 -0.125 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH2+]C[C@@H]1C(F)F ZINC000923352619 658226008 /nfs/dbraw/zinc/22/60/08/658226008.db2.gz PFNJTEANGKFHQI-WDEREUQCSA-N 2 0 281.347 -0.536 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000923380679 658244447 /nfs/dbraw/zinc/24/44/47/658244447.db2.gz BJGSZQHXUPEFDV-YNEHKIRRSA-N 2 0 259.394 -0.215 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC2(CC[NH2+]2)CC1 ZINC000923379863 658245128 /nfs/dbraw/zinc/24/51/28/658245128.db2.gz ANRRCAMHSLVXSC-ZDUSSCGKSA-N 2 0 271.405 -0.247 20 0 CBADRP CN1C[C@@H]2[C@@H](CCC[N@@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)C1=O ZINC000923375582 658247577 /nfs/dbraw/zinc/24/75/77/658247577.db2.gz BFJGGSCZZXKXSA-YNEHKIRRSA-N 2 0 279.384 -0.083 20 0 CBADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@H]1CNCCO1)CC2 ZINC000923450986 658285510 /nfs/dbraw/zinc/28/55/10/658285510.db2.gz IZTSONGPWNOJFQ-QWHCGFSZSA-N 2 0 269.389 -0.195 20 0 CBADRP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923453334 658286087 /nfs/dbraw/zinc/28/60/87/658286087.db2.gz ALGOFMXYPVZVPG-GHMZBOCLSA-N 2 0 298.387 -0.340 20 0 CBADRP CC(C)OCC[C@@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459465 658286488 /nfs/dbraw/zinc/28/64/88/658286488.db2.gz BVPGXCIJKBSDME-CYBMUJFWSA-N 2 0 259.394 -0.343 20 0 CBADRP [NH3+]CC[C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000923482300 658305047 /nfs/dbraw/zinc/30/50/47/658305047.db2.gz DDMBAVNQRIYBQX-LBPRGKRZSA-N 3 0 254.378 -0.521 20 0 CBADRP [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)C1C[NH2+]C1)CC2 ZINC000923687988 658397760 /nfs/dbraw/zinc/39/77/60/658397760.db2.gz OUOBFJSFAJBIMJ-JTQLQIEISA-N 2 0 289.401 -0.882 20 0 CBADRP CC1(C)CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC000923678287 658397788 /nfs/dbraw/zinc/39/77/88/658397788.db2.gz VTYGXLCQJLOGDP-UWVGGRQHSA-N 2 0 261.391 -0.263 20 0 CBADRP CN(C1CCC([NH3+])CC1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923572721 658334655 /nfs/dbraw/zinc/33/46/55/658334655.db2.gz FXNFQSABYWDYTA-UHFFFAOYSA-N 2 0 276.406 -0.662 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000923570732 658334735 /nfs/dbraw/zinc/33/47/35/658334735.db2.gz WEYFELNVMNTAMQ-MXWKQRLJSA-N 2 0 261.391 -0.263 20 0 CBADRP C[C@H]1C[C@@H](N(C)S(=O)(=O)N2CC[NH2+]CC2)CC[N@@H+]1C ZINC000923619586 658354683 /nfs/dbraw/zinc/35/46/83/658354683.db2.gz XNDOTSZNNMCZIK-RYUDHWBXSA-N 2 0 290.433 -0.449 20 0 CBADRP C[C@@H]1C[C@@H](N(C)S(=O)(=O)C2C[NH2+]C2)CC[N@@H+]1C ZINC000923617498 658356339 /nfs/dbraw/zinc/35/63/39/658356339.db2.gz DHONMGXSXGYISA-ZJUUUORDSA-N 2 0 261.391 -0.298 20 0 CBADRP [NH3+]CC[C@H]1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923700674 658404623 /nfs/dbraw/zinc/40/46/23/658404623.db2.gz WHVOEBZKLQVVSO-WDEREUQCSA-N 2 0 261.391 -0.261 20 0 CBADRP [NH3+][C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[C@H]1C(F)(F)F ZINC000923678348 658398169 /nfs/dbraw/zinc/39/81/69/658398169.db2.gz WXTBDYRZATZCMJ-HTQZYQBOSA-N 2 0 287.307 -0.501 20 0 CBADRP CC[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000923636737 658368147 /nfs/dbraw/zinc/36/81/47/658368147.db2.gz NHGPNGUGHGUCCH-QWRGUYRKSA-N 2 0 276.406 -0.804 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923639272 658368440 /nfs/dbraw/zinc/36/84/40/658368440.db2.gz JATLXWXCKZETRO-AXFHLTTASA-N 2 0 261.391 -0.250 20 0 CBADRP C[C@@]1(C[NH3+])CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923639223 658368621 /nfs/dbraw/zinc/36/86/21/658368621.db2.gz HVBFGPTZYSZTEQ-QWRGUYRKSA-N 2 0 261.391 -0.261 20 0 CBADRP O=S(=O)(NCc1ccc2c(c1)C[NH2+]C2)C1C[NH2+]C1 ZINC000923638550 658369076 /nfs/dbraw/zinc/36/90/76/658369076.db2.gz OKMQZFPABPPACH-UHFFFAOYSA-N 2 0 267.354 -0.319 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923639358 658369349 /nfs/dbraw/zinc/36/93/49/658369349.db2.gz LQSACXBFCBCIDW-NSHDSACASA-N 2 0 276.406 -0.803 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923641038 658370187 /nfs/dbraw/zinc/37/01/87/658370187.db2.gz OLFLWMREDWWVQM-MGCOHNPYSA-N 2 0 261.391 -0.357 20 0 CBADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000923643712 658370361 /nfs/dbraw/zinc/37/03/61/658370361.db2.gz GMDHOWRAARMQJS-IJLUTSLNSA-N 2 0 273.402 -0.248 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923642630 658370668 /nfs/dbraw/zinc/37/06/68/658370668.db2.gz GAOCTFQBCJMMIX-NSHDSACASA-N 2 0 259.375 -0.637 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923641074 658370856 /nfs/dbraw/zinc/37/08/56/658370856.db2.gz PFMLPMNWDQNXMM-HAQNSBGRSA-N 2 0 290.433 -0.509 20 0 CBADRP O=S(=O)(NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCC[NH2+]C1 ZINC000923643473 658371483 /nfs/dbraw/zinc/37/14/83/658371483.db2.gz CKSDDGBUKBLRJW-QWRGUYRKSA-N 2 0 277.390 -0.964 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923640005 658371650 /nfs/dbraw/zinc/37/16/50/658371650.db2.gz WMQLUOPTJLHQCG-HBNTYKKESA-N 2 0 261.391 -0.202 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923652911 658379946 /nfs/dbraw/zinc/37/99/46/658379946.db2.gz UNAQKSQSNDRGOX-VWYCJHECSA-N 2 0 261.391 -0.120 20 0 CBADRP O=S(=O)(N[C@H]1CC[NH2+]C2(CCC2)C1)C1C[NH2+]C1 ZINC000923656881 658381449 /nfs/dbraw/zinc/38/14/49/658381449.db2.gz VKAXXLQCKVAUBM-VIFPVBQESA-N 2 0 259.375 -0.448 20 0 CBADRP [NH3+][C@H](CCNS(=O)(=O)C1C[NH2+]C1)Cc1ccccc1 ZINC000923665713 658386768 /nfs/dbraw/zinc/38/67/68/658386768.db2.gz JWQSJOGAFXDAEQ-GFCCVEGCSA-N 2 0 283.397 -0.162 20 0 CBADRP C[C@@H]1CC[C@@H](NS(=O)(=O)[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000923664603 658387799 /nfs/dbraw/zinc/38/77/99/658387799.db2.gz YQJNXTYVJVRLOU-GMTAPVOTSA-N 2 0 261.391 -0.202 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)N1CC[NH2+]CC1)C2 ZINC000923665228 658387860 /nfs/dbraw/zinc/38/78/60/658387860.db2.gz USOFVZNMKSAIDX-TXEJJXNPSA-N 2 0 288.417 -0.932 20 0 CBADRP COC(=O)c1cn(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)nn1 ZINC000925667355 658864956 /nfs/dbraw/zinc/86/49/56/658864956.db2.gz QNHMYPAKPYFNEX-MNOVXSKESA-N 2 0 279.344 -0.076 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NCC[C@@H]1CNCCS1(=O)=O ZINC000925792252 658871863 /nfs/dbraw/zinc/87/18/63/658871863.db2.gz VKVSBOPOUPRYGN-TUAOUCFPSA-N 2 0 275.418 -0.507 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000925788396 658871925 /nfs/dbraw/zinc/87/19/25/658871925.db2.gz IFYWKJJFLGTVKR-XQQFMLRXSA-N 2 0 289.445 -0.130 20 0 CBADRP [NH3+]C1CCN(CC[NH2+][C@H](C2CC2)[C@H]2CNCCO2)CC1 ZINC000925817660 658873935 /nfs/dbraw/zinc/87/39/35/658873935.db2.gz UXJMLSCAFKQTMR-HUUCEWRRSA-N 2 0 282.432 -0.234 20 0 CBADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CNOC2)CC[NH2+]CC1 ZINC000925868466 658874710 /nfs/dbraw/zinc/87/47/10/658874710.db2.gz ZUGLQZNOQLLQTB-QWRGUYRKSA-N 2 0 271.361 -0.199 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000928551127 659034528 /nfs/dbraw/zinc/03/45/28/659034528.db2.gz LDUIUUSRLUSBKY-NWDGAFQWSA-N 2 0 253.346 -0.473 20 0 CBADRP C[N@@H+]1CC[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC000931433670 659463276 /nfs/dbraw/zinc/46/32/76/659463276.db2.gz HQWSCJIJFAEOPR-MNOVXSKESA-N 2 0 266.345 -0.578 20 0 CBADRP CC(=O)[C@@](C)(O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931481419 659471366 /nfs/dbraw/zinc/47/13/66/659471366.db2.gz IAVMMSFCRKDUCK-LBPRGKRZSA-N 2 0 258.362 -0.285 20 0 CBADRP NC(=O)C1([NH+]2CCCCC2)CCN(CC[NH3+])CC1 ZINC000059835246 656031047 /nfs/dbraw/zinc/03/10/47/656031047.db2.gz RHTJMESPBZVBHI-UHFFFAOYSA-N 2 0 254.378 -0.249 20 0 CBADRP C[N@H+](CCNS(=O)(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000062010816 656032720 /nfs/dbraw/zinc/03/27/20/656032720.db2.gz NESALIJVHOVBAL-LLVKDONJSA-N 2 0 261.391 -0.248 20 0 CBADRP O=C(COC1CC[NH2+]CC1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000091667899 656058844 /nfs/dbraw/zinc/05/88/44/656058844.db2.gz OJVFDJVHCRVYOU-GXTWGEPZSA-N 2 0 297.399 -0.266 20 0 CBADRP C[N@H+](CCN1C(=O)CNC1=O)C1CCC([NH3+])CC1 ZINC000091846952 656058849 /nfs/dbraw/zinc/05/88/49/656058849.db2.gz VJQUAYWBUJGIHV-UHFFFAOYSA-N 2 0 254.334 -0.260 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(CC(N)=O)CC1 ZINC000121003559 656066453 /nfs/dbraw/zinc/06/64/53/656066453.db2.gz JUMZTLHQIGKSPD-LLVKDONJSA-N 2 0 268.361 -0.854 20 0 CBADRP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000125532916 656067366 /nfs/dbraw/zinc/06/73/66/656067366.db2.gz QWCGAEVYDLILAN-UWVGGRQHSA-N 2 0 256.350 -0.109 20 0 CBADRP COCCOCCOCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000126570447 656067924 /nfs/dbraw/zinc/06/79/24/656067924.db2.gz VPAWEAGXDWZUJB-CHWSQXEVSA-N 2 0 258.362 -0.183 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@H]1COC(=O)C1 ZINC000163822805 656080016 /nfs/dbraw/zinc/08/00/16/656080016.db2.gz KFZFTIDVEUKSKK-GFCCVEGCSA-N 2 0 285.388 -0.109 20 0 CBADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261557953 656124747 /nfs/dbraw/zinc/12/47/47/656124747.db2.gz CXJBDBXQQGKYEB-VIFPVBQESA-N 2 0 254.334 -0.355 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000262041246 656128571 /nfs/dbraw/zinc/12/85/71/656128571.db2.gz HQDHMZXNPGVPQU-MDZLAQPJSA-N 2 0 284.404 -0.280 20 0 CBADRP O[C@@H](C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)C(F)(F)F ZINC000310750219 656144065 /nfs/dbraw/zinc/14/40/65/656144065.db2.gz KSLVKRJXAXNPIT-ZJUUUORDSA-N 2 0 267.295 -0.111 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCCC[C@@H]1C[NH3+] ZINC000311183500 656145772 /nfs/dbraw/zinc/14/57/72/656145772.db2.gz ZYXDVRMQXZWBAB-OLZOCXBDSA-N 2 0 259.394 -0.261 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000312956863 656147473 /nfs/dbraw/zinc/14/74/73/656147473.db2.gz IUEYMKMPRLMNSW-ZNMIVQPWSA-N 3 0 285.432 -0.191 20 0 CBADRP CN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H]1C[NH+]2CCC1CC2 ZINC000702421414 656180899 /nfs/dbraw/zinc/18/08/99/656180899.db2.gz OWPQPJFJVFSTEC-NWDGAFQWSA-N 2 0 254.378 -0.572 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000702422112 656180984 /nfs/dbraw/zinc/18/09/84/656180984.db2.gz RGAOMHFYXXRHKQ-RYUDHWBXSA-N 2 0 256.394 -0.278 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000702430650 656181344 /nfs/dbraw/zinc/18/13/44/656181344.db2.gz OFHQJPLQCLSNSN-LBPRGKRZSA-N 2 0 256.394 -0.134 20 0 CBADRP CC(C)C[C@@H](CNC(=O)[C@@H](N)C[NH+](C)C)[NH+](C)C ZINC000702431442 656181503 /nfs/dbraw/zinc/18/15/03/656181503.db2.gz TVKNSXJQUNWOMW-RYUDHWBXSA-N 2 0 258.410 -0.032 20 0 CBADRP [NH3+]C1CC(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000703488411 656183533 /nfs/dbraw/zinc/18/35/33/656183533.db2.gz UEXAMQDSUOOARM-MCIGGMRASA-N 2 0 252.362 -0.770 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)C2CC([NH3+])C2)CC1 ZINC000703439839 656183650 /nfs/dbraw/zinc/18/36/50/656183650.db2.gz UFVMIKUAAAXPBC-UHFFFAOYSA-N 2 0 255.362 -0.096 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH2+][C@@H](C(C)C)C1 ZINC000704744456 656185532 /nfs/dbraw/zinc/18/55/32/656185532.db2.gz PGOREWJCDIBPPM-ZIAGYGMSSA-N 2 0 273.421 -0.145 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C[NH+](C)C ZINC000705874758 656187441 /nfs/dbraw/zinc/18/74/41/656187441.db2.gz ODFYYZWVUIWNJH-SYQHCUMBSA-N 3 0 282.432 -0.079 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)C[C@H]1C[NH+](C)C ZINC000705824977 656187489 /nfs/dbraw/zinc/18/74/89/656187489.db2.gz QCGNQJQKPSGVCO-MGPQQGTHSA-N 3 0 282.432 -0.064 20 0 CBADRP CN(C)S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000706055856 656187563 /nfs/dbraw/zinc/18/75/63/656187563.db2.gz YQLQJLDATKBVIU-VXGBXAGGSA-N 2 0 292.449 -0.536 20 0 CBADRP CC[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000707966058 656190805 /nfs/dbraw/zinc/19/08/05/656190805.db2.gz KRGSHRXXCBEITG-GRYCIOLGSA-N 2 0 255.362 -0.036 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC000708547799 656193428 /nfs/dbraw/zinc/19/34/28/656193428.db2.gz MQELZUIKQUYVHI-NEPJUHHUSA-N 2 0 255.362 -0.489 20 0 CBADRP CCOC(=O)C[C@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710606586 656198557 /nfs/dbraw/zinc/19/85/57/656198557.db2.gz KQFXTRPBGXLKBL-LBPRGKRZSA-N 2 0 288.388 -0.311 20 0 CBADRP C[NH+](C)CC1(O)CC[NH+](CC(=O)N2CCC2)CC1 ZINC000710622369 656199232 /nfs/dbraw/zinc/19/92/32/656199232.db2.gz LWWRHXQVUWYXII-UHFFFAOYSA-N 2 0 255.362 -0.393 20 0 CBADRP COC[C@@]1(C(=O)N2CCC[N@H+](C)CC2)C[NH2+]CCO1 ZINC000710756612 656200312 /nfs/dbraw/zinc/20/03/12/656200312.db2.gz YVRBVXYODVHDNZ-CYBMUJFWSA-N 2 0 271.361 -0.845 20 0 CBADRP COC[C@@]1(C(=O)NCC[N@H+](C)C2CC2)C[NH2+]CCO1 ZINC000710755339 656201095 /nfs/dbraw/zinc/20/10/95/656201095.db2.gz NPDAMIWYTBTGAM-CYBMUJFWSA-N 2 0 271.361 -0.798 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(COC)C[NH2+]CCO2)C1 ZINC000710824765 656203249 /nfs/dbraw/zinc/20/32/49/656203249.db2.gz HSRPRMULLNAUIG-TZMCWYRMSA-N 2 0 285.388 -0.408 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(COC)C[NH2+]CCO2)C1 ZINC000710824763 656203673 /nfs/dbraw/zinc/20/36/73/656203673.db2.gz HSRPRMULLNAUIG-OCCSQVGLSA-N 2 0 285.388 -0.408 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710839652 656204471 /nfs/dbraw/zinc/20/44/71/656204471.db2.gz TZCYZOJXFWISSI-ZDUSSCGKSA-N 2 0 273.377 -0.551 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCOC2CC2)C1 ZINC000711766993 656209952 /nfs/dbraw/zinc/20/99/52/656209952.db2.gz YJYZDLSASSLRDE-LLVKDONJSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C1(F)F ZINC000715165788 656219207 /nfs/dbraw/zinc/21/92/07/656219207.db2.gz OBKWICUZRBWKKA-HBNTYKKESA-N 2 0 288.342 -0.668 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C1(F)F ZINC000715165783 656219321 /nfs/dbraw/zinc/21/93/21/656219321.db2.gz OBKWICUZRBWKKA-GMTAPVOTSA-N 2 0 288.342 -0.668 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000715528904 656220028 /nfs/dbraw/zinc/22/00/28/656220028.db2.gz BYGKXNVHWAGOKX-RYUDHWBXSA-N 2 0 290.433 -0.401 20 0 CBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)NCC[NH3+])CC1 ZINC000715516570 656220189 /nfs/dbraw/zinc/22/01/89/656220189.db2.gz FMTVYPQGSMCKDX-UHFFFAOYSA-N 2 0 270.377 -0.560 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000715528898 656220362 /nfs/dbraw/zinc/22/03/62/656220362.db2.gz BYGKXNVHWAGOKX-NEPJUHHUSA-N 2 0 290.433 -0.401 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000715874779 656220982 /nfs/dbraw/zinc/22/09/82/656220982.db2.gz MARFAWBQQRXEKM-ZDUSSCGKSA-N 2 0 253.346 -0.735 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)CO[C@H]1CCC[NH2+]C1)C2 ZINC000877380224 656246317 /nfs/dbraw/zinc/24/63/17/656246317.db2.gz XXXPBAKAVOSIHE-SGMGOOAPSA-N 2 0 267.373 -0.177 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCn1cnnn1 ZINC000878315084 656249997 /nfs/dbraw/zinc/24/99/97/656249997.db2.gz FSHHRZJDLDUCCE-UHFFFAOYSA-N 2 0 267.381 -0.758 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)C1 ZINC000884787518 656255311 /nfs/dbraw/zinc/25/53/11/656255311.db2.gz UWNSOVKUIHZVLR-UTUOFQBUSA-N 2 0 282.388 -0.465 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NC[C@@H]1CC[NH+]1CC ZINC000890065969 656269743 /nfs/dbraw/zinc/26/97/43/656269743.db2.gz OJMNRVHDDKNDQY-LBPRGKRZSA-N 2 0 272.393 -0.306 20 0 CBADRP CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000890066653 656269790 /nfs/dbraw/zinc/26/97/90/656269790.db2.gz XDAGCVLMTMDWQK-AAEUAGOBSA-N 2 0 270.377 -0.554 20 0 CBADRP O=C(N[C@H](CO)C[NH+]1CCCC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897766905 656294892 /nfs/dbraw/zinc/29/48/92/656294892.db2.gz SWNPPYFSOKJAJZ-UONOGXRCSA-N 2 0 297.399 -0.720 20 0 CBADRP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC([NH+]2CCCC2)C1 ZINC000898608254 656300409 /nfs/dbraw/zinc/30/04/09/656300409.db2.gz MXMYJYGNYRNTGD-AWEZNQCLSA-N 2 0 278.400 -0.317 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CCN1C ZINC000900846588 656313509 /nfs/dbraw/zinc/31/35/09/656313509.db2.gz IGIFQSWEZRGSTH-NTZNESFSSA-N 2 0 255.362 -0.396 20 0 CBADRP c1nnnn1CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903506002 656321976 /nfs/dbraw/zinc/32/19/76/656321976.db2.gz LOMKRGYQOVVUDB-OKILXGFUSA-N 2 0 291.403 -0.426 20 0 CBADRP CN(C[C@@H](O)C[NH3+])C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903752417 656322012 /nfs/dbraw/zinc/32/20/12/656322012.db2.gz SHHDCZYUZBATCW-RYUDHWBXSA-N 2 0 257.378 -0.604 20 0 CBADRP CNS(=O)(=O)[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904320743 656324485 /nfs/dbraw/zinc/32/44/85/656324485.db2.gz NVSRKNKMPVXLBY-AXFHLTTASA-N 2 0 261.391 -0.263 20 0 CBADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000904299537 656324509 /nfs/dbraw/zinc/32/45/09/656324509.db2.gz HDNLWHNIIOXQDA-MCIONIFRSA-N 3 0 280.416 -0.133 20 0 CBADRP Cn1ccnc(N2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)c1=O ZINC000904324633 656325466 /nfs/dbraw/zinc/32/54/66/656325466.db2.gz ZJACPTDACMFUCZ-TXEJJXNPSA-N 2 0 277.372 -0.360 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904389053 656325650 /nfs/dbraw/zinc/32/56/50/656325650.db2.gz RSASKDDZAGBKEO-ROEYZRMQSA-N 3 0 267.373 -0.064 20 0 CBADRP COC(=O)c1ccc(CN2CC[NH2+]CC[NH2+]CC2)[nH]1 ZINC000904396680 656326126 /nfs/dbraw/zinc/32/61/26/656326126.db2.gz MMARVOWYQIAQLC-UHFFFAOYSA-N 2 0 266.345 -0.204 20 0 CBADRP C[C@@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@@H]1C[NH3+] ZINC000904410961 656326838 /nfs/dbraw/zinc/32/68/38/656326838.db2.gz ICHZMQGPEFZYDV-GHMZBOCLSA-N 2 0 280.372 -0.499 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000904961874 656330525 /nfs/dbraw/zinc/33/05/25/656330525.db2.gz XGDRXTKTZJLCFS-NSHDSACASA-N 2 0 284.404 -0.408 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCC[NH2+]CC3)C[C@]2(C)C1 ZINC000904957995 656330599 /nfs/dbraw/zinc/33/05/99/656330599.db2.gz CKCGKOHYLHQTPJ-DOMZBBRYSA-N 2 0 294.399 -0.782 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000904959813 656330614 /nfs/dbraw/zinc/33/06/14/656330614.db2.gz UWWJLOZRAYAPHF-RYUDHWBXSA-N 2 0 296.415 -0.395 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000904961229 656330665 /nfs/dbraw/zinc/33/06/65/656330665.db2.gz NTYRMEIQZFXVIF-SMDDNHRTSA-N 2 0 282.388 -0.926 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000904958628 656330815 /nfs/dbraw/zinc/33/08/15/656330815.db2.gz ISYYHTDUDQZKLP-UHFFFAOYSA-N 2 0 298.431 -0.018 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000904965653 656331122 /nfs/dbraw/zinc/33/11/22/656331122.db2.gz SGTIHCOLAFYABE-NSHDSACASA-N 2 0 286.420 -0.162 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000904962278 656331284 /nfs/dbraw/zinc/33/12/84/656331284.db2.gz ACXGJEKGVPCQRQ-COPLHBTASA-N 2 0 282.388 -0.798 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000905002196 656332318 /nfs/dbraw/zinc/33/23/18/656332318.db2.gz RNVBXDSNLFKFQH-RISCZKNCSA-N 2 0 282.388 -0.654 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000905011446 656333773 /nfs/dbraw/zinc/33/37/73/656333773.db2.gz IWFRUBSCRZBTBQ-OAHLLOKOSA-N 2 0 296.415 -0.249 20 0 CBADRP [NH2+]=C(NC[C@@H]1CCCS1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000905045593 656335376 /nfs/dbraw/zinc/33/53/76/656335376.db2.gz DDNLSOFLYYLBMP-RYUDHWBXSA-N 2 0 283.445 -0.004 20 0 CBADRP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1(O)CCOCC1 ZINC000905060960 656336483 /nfs/dbraw/zinc/33/64/83/656336483.db2.gz ZMVJSXYIAMQCIF-OCCSQVGLSA-N 2 0 284.400 -0.037 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2CCC[NH+](C)CC2)C1 ZINC000905086008 656337050 /nfs/dbraw/zinc/33/70/50/656337050.db2.gz GSYOEKXWUBHSFZ-UHFFFAOYSA-N 2 0 268.405 -0.356 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905095099 656337707 /nfs/dbraw/zinc/33/77/07/656337707.db2.gz HYNRCTMBLJOGGM-OLZOCXBDSA-N 2 0 271.405 -0.512 20 0 CBADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905108941 656338863 /nfs/dbraw/zinc/33/88/63/656338863.db2.gz AINKDISGBRAHAM-JHJVBQTASA-N 2 0 260.378 -0.181 20 0 CBADRP C[NH+](C)CCOCC[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905203012 656345143 /nfs/dbraw/zinc/34/51/43/656345143.db2.gz UZAAGLXJJKCNSL-OLZOCXBDSA-N 2 0 276.377 -0.943 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000905330521 656349198 /nfs/dbraw/zinc/34/91/98/656349198.db2.gz TWPXGLQWILPELV-PWSUYJOCSA-N 2 0 275.418 -0.015 20 0 CBADRP [NH3+][C@H]1CCCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905331011 656349223 /nfs/dbraw/zinc/34/92/23/656349223.db2.gz WYWKPEKOAWHQFF-NSHDSACASA-N 2 0 261.391 -0.261 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CCO1 ZINC000905330589 656349298 /nfs/dbraw/zinc/34/92/98/656349298.db2.gz URBNMZBNRDDEFZ-ZYHUDNBSSA-N 2 0 291.417 -0.636 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1CCC[NH2+]1 ZINC000905331039 656349363 /nfs/dbraw/zinc/34/93/63/656349363.db2.gz YCEWPOUGYJCIQA-NSHDSACASA-N 2 0 261.391 -0.343 20 0 CBADRP C[C@@]1(C[NH3+])CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905345825 656351130 /nfs/dbraw/zinc/35/11/30/656351130.db2.gz ZDRKPDRDMSEFEH-LBPRGKRZSA-N 2 0 275.418 -0.014 20 0 CBADRP CN(C)C[C@H](O)C[NH2+]C[C@H](O)C[C@H](O)c1ccccc1 ZINC000905345097 656351214 /nfs/dbraw/zinc/35/12/14/656351214.db2.gz LIAKGMSFVCPUJO-KFWWJZLASA-N 2 0 282.384 -0.017 20 0 CBADRP C[C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000905358042 656353379 /nfs/dbraw/zinc/35/33/79/656353379.db2.gz CZODMTJPWKUIRF-CMPLNLGQSA-N 2 0 275.418 -0.158 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905361910 656353739 /nfs/dbraw/zinc/35/37/39/656353739.db2.gz NPLRUBLDUUZNRG-GXSJLCMTSA-N 2 0 261.391 -0.344 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1CCCN(CCN2CCOCC2)C1 ZINC000905448042 656357383 /nfs/dbraw/zinc/35/73/83/656357383.db2.gz WZDROVNQQAFMKY-KBPBESRZSA-N 2 0 271.405 -0.247 20 0 CBADRP C[C@@H]1[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CCN1C ZINC000905539279 656360631 /nfs/dbraw/zinc/36/06/31/656360631.db2.gz CLIWAGXBKBTCSB-MGPQQGTHSA-N 2 0 270.421 -0.723 20 0 CBADRP CCC[C@@H](O)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000905585826 656362498 /nfs/dbraw/zinc/36/24/98/656362498.db2.gz BIKONYAPNNZQQT-ZIAGYGMSSA-N 2 0 273.421 -0.265 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000906360962 656385612 /nfs/dbraw/zinc/38/56/12/656385612.db2.gz BKLPQHPNNDAEQK-ZDUSSCGKSA-N 2 0 282.432 -0.062 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000906410850 656385853 /nfs/dbraw/zinc/38/58/53/656385853.db2.gz MKGHJVSYGVNPSN-ZDUSSCGKSA-N 2 0 280.416 -0.167 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000906618013 656394727 /nfs/dbraw/zinc/39/47/27/656394727.db2.gz HEUBXKZTZIPTMG-AWEZNQCLSA-N 2 0 298.431 -0.683 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000906857490 656403898 /nfs/dbraw/zinc/40/38/98/656403898.db2.gz YBBFVLNQVQQLEJ-UHFFFAOYSA-N 2 0 298.431 -0.947 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996464599 656413998 /nfs/dbraw/zinc/41/39/98/656413998.db2.gz NYHHAHRKKJGQEN-ZDUSSCGKSA-N 2 0 296.415 -0.075 20 0 CBADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CC(N)=O ZINC000996522118 656417568 /nfs/dbraw/zinc/41/75/68/656417568.db2.gz VUZKMUXQSFYEHA-NSHDSACASA-N 2 0 294.399 -0.606 20 0 CBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]CCO)CC1 ZINC000996562139 656420641 /nfs/dbraw/zinc/42/06/41/656420641.db2.gz UPAONHHVIQWJBK-CQSZACIVSA-N 2 0 281.400 -0.099 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996658871 656450227 /nfs/dbraw/zinc/45/02/27/656450227.db2.gz DISPJEXOQATLCV-CYBMUJFWSA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH+](C)[C@H](C(=O)N1CCC([NH2+]CCO)CC1)C1CC1 ZINC000996680073 656451371 /nfs/dbraw/zinc/45/13/71/656451371.db2.gz SKLMXXYGHZVLAH-ZDUSSCGKSA-N 2 0 269.389 -0.101 20 0 CBADRP NC(=O)C[NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000996768734 656456250 /nfs/dbraw/zinc/45/62/50/656456250.db2.gz FDUBPNUXMGFIDI-UHFFFAOYSA-N 2 0 294.399 -0.319 20 0 CBADRP CC[C@@H](C(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1)[NH+](C)C ZINC000997010184 656463895 /nfs/dbraw/zinc/46/38/95/656463895.db2.gz RDQVUSAPUZKHSU-OLZOCXBDSA-N 2 0 296.415 -0.204 20 0 CBADRP NC(=O)C[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000997307802 656472775 /nfs/dbraw/zinc/47/27/75/656472775.db2.gz VZEZZMRNABDTRL-UHFFFAOYSA-N 2 0 268.361 -0.852 20 0 CBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997361601 656474129 /nfs/dbraw/zinc/47/41/29/656474129.db2.gz WQVGFHFYAXFNEW-RYUDHWBXSA-N 2 0 296.415 -0.075 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907220229 656475828 /nfs/dbraw/zinc/47/58/28/656475828.db2.gz DXXQWQMYQSGYON-UHFFFAOYSA-N 2 0 270.421 -0.110 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC000907440507 656505959 /nfs/dbraw/zinc/50/59/59/656505959.db2.gz JUCPHJAQAZSFNH-UHFFFAOYSA-N 2 0 255.362 -0.487 20 0 CBADRP C[C@@H](O)CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000907515563 656519004 /nfs/dbraw/zinc/51/90/04/656519004.db2.gz MWLQHPMIILNMEF-YNEHKIRRSA-N 2 0 269.389 -0.006 20 0 CBADRP C[NH+]1CC2(C1)CCN(C(=O)C[C@@]1(O)CCC[N@H+](C)C1)C2 ZINC000907762092 656569370 /nfs/dbraw/zinc/56/93/70/656569370.db2.gz AHQVCTSMUYPMPX-HNNXBMFYSA-N 2 0 281.400 -0.003 20 0 CBADRP C[NH+]1CC2(C1)CCN(C(=O)C[C@]1(O)CCC[N@H+](C)C1)C2 ZINC000907762094 656570336 /nfs/dbraw/zinc/57/03/36/656570336.db2.gz AHQVCTSMUYPMPX-OAHLLOKOSA-N 2 0 281.400 -0.003 20 0 CBADRP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000907805511 656582179 /nfs/dbraw/zinc/58/21/79/656582179.db2.gz SDYDBWALBHZWSZ-GFQSEFKGSA-N 2 0 267.373 -0.539 20 0 CBADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC([NH2+]CCO)C1 ZINC000998781339 656584043 /nfs/dbraw/zinc/58/40/43/656584043.db2.gz WIDOMZIXMCHENH-RUXDESIVSA-N 2 0 281.400 -0.101 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC000998792731 656585922 /nfs/dbraw/zinc/58/59/22/656585922.db2.gz ATAGYDZXJZODHT-IFWUJCSASA-N 2 0 296.415 -0.219 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999168499 656614276 /nfs/dbraw/zinc/61/42/76/656614276.db2.gz BSBKSXRQNZJLFA-OLZOCXBDSA-N 2 0 294.399 -0.606 20 0 CBADRP CN(C(=O)C1CC[NH+](C)CC1)C1CC([NH2+]CC(N)=O)C1 ZINC000999343996 656624526 /nfs/dbraw/zinc/62/45/26/656624526.db2.gz SIJGATBFLWVEBC-UHFFFAOYSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC000999363346 656625727 /nfs/dbraw/zinc/62/57/27/656625727.db2.gz GONBEHBKPXPBNT-VXGBXAGGSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC000999363343 656626069 /nfs/dbraw/zinc/62/60/69/656626069.db2.gz GONBEHBKPXPBNT-NWDGAFQWSA-N 2 0 296.415 -0.075 20 0 CBADRP C[N@H+](CC(=O)NC[C@H]1C[NH+]2CCN1CCC2)C1CCC1 ZINC000908029445 656628163 /nfs/dbraw/zinc/62/81/63/656628163.db2.gz KOFMZBGATYMZMW-AWEZNQCLSA-N 2 0 280.416 -0.023 20 0 CBADRP C[C@H]([NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC000999832311 656655684 /nfs/dbraw/zinc/65/56/84/656655684.db2.gz DIFMCEJRCDHODE-UNXYVOJBSA-N 2 0 282.388 -0.465 20 0 CBADRP C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000908200272 656664902 /nfs/dbraw/zinc/66/49/02/656664902.db2.gz IDPLPMYGCNGFJO-QWRGUYRKSA-N 2 0 257.378 -0.102 20 0 CBADRP C[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)C[NH+](C)C ZINC000908345623 656707678 /nfs/dbraw/zinc/70/76/78/656707678.db2.gz JMVLCAAHGJJIEO-NTZNESFSSA-N 2 0 257.378 -0.245 20 0 CBADRP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000908346343 656709541 /nfs/dbraw/zinc/70/95/41/656709541.db2.gz GBSZXQQCJFJCMP-SFTQSGBHSA-N 2 0 267.373 -0.396 20 0 CBADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001000918414 656774176 /nfs/dbraw/zinc/77/41/76/656774176.db2.gz DZDPUFJCHUGGKA-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001000917771 656774609 /nfs/dbraw/zinc/77/46/09/656774609.db2.gz MHPROOIBWHSXPB-WDEREUQCSA-N 2 0 268.361 -0.996 20 0 CBADRP NC(=O)C[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001000992500 656780439 /nfs/dbraw/zinc/78/04/39/656780439.db2.gz MFCATMJXBOSANM-ZDUSSCGKSA-N 2 0 296.415 -0.072 20 0 CBADRP C[N@@H+]1CCC[C@](O)(CC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000909273986 656803913 /nfs/dbraw/zinc/80/39/13/656803913.db2.gz YQYINAMPTKBJTM-HNNXBMFYSA-N 2 0 299.415 -0.594 20 0 CBADRP O=C(NC1CC[NH+](CCO)CC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001002875615 656842651 /nfs/dbraw/zinc/84/26/51/656842651.db2.gz NTZYPJUSTHYFLD-ZIAGYGMSSA-N 2 0 297.399 -0.578 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001003970844 656878414 /nfs/dbraw/zinc/87/84/14/656878414.db2.gz LGFUVCGWHCYNDQ-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](CCCO)CC2)C1 ZINC001004150413 656881646 /nfs/dbraw/zinc/88/16/46/656881646.db2.gz SDBNHNCVSMXEIW-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004150243 656881746 /nfs/dbraw/zinc/88/17/46/656881746.db2.gz QRONHAAIQQJLMP-RYUDHWBXSA-N 2 0 269.389 -0.101 20 0 CBADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCO)CC1 ZINC001005183837 656895062 /nfs/dbraw/zinc/89/50/62/656895062.db2.gz KQILYGPQNLGQOY-CYBMUJFWSA-N 2 0 269.389 -0.004 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000910958782 656910979 /nfs/dbraw/zinc/91/09/79/656910979.db2.gz PIOURESCXHDJAX-XHDPSFHLSA-N 2 0 294.399 -0.463 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000910963152 656915474 /nfs/dbraw/zinc/91/54/74/656915474.db2.gz HXZZRNSVOZABKJ-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000910974951 656917176 /nfs/dbraw/zinc/91/71/76/656917176.db2.gz BGVVSNPNAHJIQP-AGIUHOORSA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC[N@@H+]1C ZINC000911006172 656928073 /nfs/dbraw/zinc/92/80/73/656928073.db2.gz DJFKKEPOVFSACI-WOPDTQHZSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000911007140 656928233 /nfs/dbraw/zinc/92/82/33/656928233.db2.gz HKYYNOFWUNRICE-XQHKEYJVSA-N 2 0 296.415 -0.362 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH3+] ZINC000911006122 656928826 /nfs/dbraw/zinc/92/88/26/656928826.db2.gz CVAJFGNRAJLWPB-NOOOWODRSA-N 2 0 282.388 -0.609 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC[N@@H+]1C ZINC000911007236 656929078 /nfs/dbraw/zinc/92/90/78/656929078.db2.gz IXSCHEDDZWFYIR-NAWOPXAZSA-N 2 0 294.399 -0.406 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000911009590 656929237 /nfs/dbraw/zinc/92/92/37/656929237.db2.gz SUIWTBMGUASAAQ-DDHJBXDOSA-N 2 0 282.388 -0.691 20 0 CBADRP C[N@H+](CCCCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)C1CC1 ZINC000911016588 656931224 /nfs/dbraw/zinc/93/12/24/656931224.db2.gz FTZBRHBHNSWXTP-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000911021969 656933092 /nfs/dbraw/zinc/93/30/92/656933092.db2.gz FDVWWQHZCIWKSI-JOCQHMNTSA-N 2 0 296.415 -0.168 20 0 CBADRP CC1CC[NH+](CCCNC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911022355 656933613 /nfs/dbraw/zinc/93/36/13/656933613.db2.gz LLNWBJZYIUKLEH-UHFFFAOYSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911071565 656939121 /nfs/dbraw/zinc/93/91/21/656939121.db2.gz AIHZXEHLAGTEFB-FRRDWIJNSA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1[NH3+] ZINC000911072208 656939806 /nfs/dbraw/zinc/93/98/06/656939806.db2.gz HCCZQNFQJOKNCS-JFGNBEQYSA-N 2 0 280.372 -0.855 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911072980 656940567 /nfs/dbraw/zinc/94/05/67/656940567.db2.gz OGIFDVJEXUERND-DCAQKATOSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911073521 656941147 /nfs/dbraw/zinc/94/11/47/656941147.db2.gz TYFBGAOFNMZIMA-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000911073816 656941279 /nfs/dbraw/zinc/94/12/79/656941279.db2.gz WLVYBFUMIWTTLP-QWRGUYRKSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CC1)[NH+]1CCC(C)CC1 ZINC000911090403 656945031 /nfs/dbraw/zinc/94/50/31/656945031.db2.gz IDQKORYVXUEMPH-LBPRGKRZSA-N 2 0 296.415 -0.170 20 0 CBADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCO)CC1 ZINC001006401372 656945361 /nfs/dbraw/zinc/94/53/61/656945361.db2.gz QZZQUXUSGQENJM-LBPRGKRZSA-N 2 0 269.389 -0.147 20 0 CBADRP CN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CCO)CC1 ZINC001006412510 656945564 /nfs/dbraw/zinc/94/55/64/656945564.db2.gz GFRFELVRYZNOAE-UHFFFAOYSA-N 2 0 269.389 -0.003 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000911147763 656962465 /nfs/dbraw/zinc/96/24/65/656962465.db2.gz JYODDGWPFAQSSV-KCQAQPDRSA-N 2 0 299.415 -0.596 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000911148656 656965019 /nfs/dbraw/zinc/96/50/19/656965019.db2.gz ZHXMLAOICTVRJX-LSCVPOLPSA-N 2 0 294.399 -0.548 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911161537 656967506 /nfs/dbraw/zinc/96/75/06/656967506.db2.gz LONXZRQVJSMZFP-NSHDSACASA-N 2 0 282.388 -0.558 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911187725 656977680 /nfs/dbraw/zinc/97/76/80/656977680.db2.gz PERNCIVRHZOMEX-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)C(C)(C)C[NH+](C)C ZINC000911198301 656982098 /nfs/dbraw/zinc/98/20/98/656982098.db2.gz IHQCUZZVEGHIIC-IJLUTSLNSA-N 2 0 298.431 -0.068 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)[N@H+](C)C1CC1 ZINC000911204423 656985084 /nfs/dbraw/zinc/98/50/84/656985084.db2.gz COGYEQDFEJRYAL-JQWIXIFHSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)[N@H+](C)C1CC1 ZINC000911206602 656985333 /nfs/dbraw/zinc/98/53/33/656985333.db2.gz QZRKEQGPPTVCKB-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911208140 656985655 /nfs/dbraw/zinc/98/56/55/656985655.db2.gz JXQIVVQIRGDNGM-FRRDWIJNSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H]1[NH3+] ZINC000911214499 656986710 /nfs/dbraw/zinc/98/67/10/656986710.db2.gz GHDQRLWEJVQWBG-FVCCEPFGSA-N 2 0 294.399 -0.465 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000911216398 656989100 /nfs/dbraw/zinc/98/91/00/656989100.db2.gz ZEPCKTLSXYYQET-NQBHXWOUSA-N 2 0 294.399 -0.689 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000911223671 656991881 /nfs/dbraw/zinc/99/18/81/656991881.db2.gz RDNZBADCJCEMJW-KGYLQXTDSA-N 2 0 294.399 -0.689 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000911236534 656992769 /nfs/dbraw/zinc/99/27/69/656992769.db2.gz AMXCNLLFRUKZQQ-GFCCVEGCSA-N 2 0 294.399 -0.273 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000911236536 656993660 /nfs/dbraw/zinc/99/36/60/656993660.db2.gz AMXCNLLFRUKZQQ-LBPRGKRZSA-N 2 0 294.399 -0.273 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000911267812 657003102 /nfs/dbraw/zinc/00/31/02/657003102.db2.gz ABCKFZXLVQOFQA-CYDGBPFRSA-N 2 0 294.399 -0.417 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000911268005 657003351 /nfs/dbraw/zinc/00/33/51/657003351.db2.gz SSOXJHQYPBPDPD-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000911270060 657004675 /nfs/dbraw/zinc/00/46/75/657004675.db2.gz RHXGJTLHZQTEBS-YNEHKIRRSA-N 2 0 294.399 -0.321 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911282693 657010187 /nfs/dbraw/zinc/01/01/87/657010187.db2.gz SHBXXKOZYAJTCZ-SMDDNHRTSA-N 2 0 282.388 -0.878 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000911295737 657013270 /nfs/dbraw/zinc/01/32/70/657013270.db2.gz XRLGAWHIVURLFA-LLVKDONJSA-N 2 0 286.420 -0.256 20 0 CBADRP CC(C)C[C@@H]1CN(C)CCN1C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000911296269 657013284 /nfs/dbraw/zinc/01/32/84/657013284.db2.gz KYTRTXUTRYZQTC-VXGBXAGGSA-N 2 0 284.404 -0.362 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000911298371 657014139 /nfs/dbraw/zinc/01/41/39/657014139.db2.gz QRBAPDIYDSDPQF-LBPRGKRZSA-N 2 0 296.415 -0.312 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000911298370 657014317 /nfs/dbraw/zinc/01/43/17/657014317.db2.gz QRBAPDIYDSDPQF-GFCCVEGCSA-N 2 0 296.415 -0.312 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000911299527 657015239 /nfs/dbraw/zinc/01/52/39/657015239.db2.gz ZAGYOXGCXUVNSL-UHFFFAOYSA-N 2 0 286.420 -0.114 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000911299072 657015731 /nfs/dbraw/zinc/01/57/31/657015731.db2.gz ZCKARXIXAQDBNF-NSHDSACASA-N 2 0 286.420 -0.114 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000911337961 657023045 /nfs/dbraw/zinc/02/30/45/657023045.db2.gz CLRJNCLYNXSUJR-JTQLQIEISA-N 2 0 293.371 -0.512 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000911337962 657023403 /nfs/dbraw/zinc/02/34/03/657023403.db2.gz CLRJNCLYNXSUJR-SNVBAGLBSA-N 2 0 293.371 -0.512 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000911369695 657028608 /nfs/dbraw/zinc/02/86/08/657028608.db2.gz ACYLVVKHXRPHSM-ZYHUDNBSSA-N 2 0 282.388 -0.737 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000911370012 657028628 /nfs/dbraw/zinc/02/86/28/657028628.db2.gz LFOICIHBLWUYMY-FVCCEPFGSA-N 2 0 296.415 -0.348 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000911373866 657030161 /nfs/dbraw/zinc/03/01/61/657030161.db2.gz BOIOFKZIUQQOHW-FRRDWIJNSA-N 2 0 296.415 -0.489 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911375097 657030771 /nfs/dbraw/zinc/03/07/71/657030771.db2.gz YGOOUUURORROMR-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000911382743 657032681 /nfs/dbraw/zinc/03/26/81/657032681.db2.gz OJPVDCWYZMBTKS-FRRDWIJNSA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000911381698 657032858 /nfs/dbraw/zinc/03/28/58/657032858.db2.gz AEWFZTXNUCAXEE-FRRDWIJNSA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000911387898 657034384 /nfs/dbraw/zinc/03/43/84/657034384.db2.gz FFHCCNOZQQYTKX-JHJVBQTASA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000911401428 657034990 /nfs/dbraw/zinc/03/49/90/657034990.db2.gz ALCJPJITOCYGIW-SNVBAGLBSA-N 2 0 293.371 -0.431 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000911402719 657036456 /nfs/dbraw/zinc/03/64/56/657036456.db2.gz IZAGINDYRKKMQX-SNVBAGLBSA-N 2 0 293.371 -0.431 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CCO)C2)C1 ZINC001008543511 657049072 /nfs/dbraw/zinc/04/90/72/657049072.db2.gz WPFFFKUZBYWASA-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP CN(C(=O)C(=O)NCC1([NH3+])CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000911501230 657056819 /nfs/dbraw/zinc/05/68/19/657056819.db2.gz AMGUZNCJFGYORP-NSHDSACASA-N 2 0 280.372 -0.711 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000911502277 657057614 /nfs/dbraw/zinc/05/76/14/657057614.db2.gz DNQOAVZRGVHOOH-LBPRGKRZSA-N 2 0 294.399 -0.319 20 0 CBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911505734 657059716 /nfs/dbraw/zinc/05/97/16/657059716.db2.gz GZGWBUDCKWVSBK-UHFFFAOYSA-N 2 0 296.415 -0.072 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000911518740 657065458 /nfs/dbraw/zinc/06/54/58/657065458.db2.gz AXGSQMZPTIISME-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)C(C)C ZINC000911520993 657066224 /nfs/dbraw/zinc/06/62/24/657066224.db2.gz LMGPXOLYGAQFEO-GFCCVEGCSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911532053 657069712 /nfs/dbraw/zinc/06/97/12/657069712.db2.gz JOLDVFUQXDGJBB-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911536549 657070958 /nfs/dbraw/zinc/07/09/58/657070958.db2.gz MTTYDILTLNKPOQ-QJPTWQEYSA-N 2 0 282.388 -0.594 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911548865 657074570 /nfs/dbraw/zinc/07/45/70/657074570.db2.gz BHKCJGJSHZKGCX-FVCCEPFGSA-N 2 0 294.399 -0.404 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911549273 657075155 /nfs/dbraw/zinc/07/51/55/657075155.db2.gz IONRERWAQIOXBV-FRRDWIJNSA-N 2 0 296.415 -0.206 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911551441 657076113 /nfs/dbraw/zinc/07/61/13/657076113.db2.gz LRRJHPOSZUWBKZ-MROQNXINSA-N 2 0 294.399 -0.452 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911559200 657078328 /nfs/dbraw/zinc/07/83/28/657078328.db2.gz CBLSPYOKNVOADW-IJLUTSLNSA-N 2 0 282.388 -0.560 20 0 CBADRP [NH3+]C1CCN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000911623231 657086425 /nfs/dbraw/zinc/08/64/25/657086425.db2.gz FKBYQTNEROGTLT-ZDUSSCGKSA-N 2 0 266.345 -0.165 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)C1 ZINC000911621424 657086600 /nfs/dbraw/zinc/08/66/00/657086600.db2.gz YWZNCMMPJMPXGG-MFKMUULPSA-N 2 0 266.345 -0.165 20 0 CBADRP O=C(NC1CC[NH2+]CC1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000911630268 657089853 /nfs/dbraw/zinc/08/98/53/657089853.db2.gz TWABMROMLKVLHJ-CYBMUJFWSA-N 2 0 266.345 -0.247 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911630547 657090009 /nfs/dbraw/zinc/09/00/09/657090009.db2.gz RWGNPZATZOLPGS-HIFRSBDPSA-N 2 0 296.415 -0.976 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC000911633997 657090878 /nfs/dbraw/zinc/09/08/78/657090878.db2.gz LEAVJQPFXLAEQT-TZMCWYRMSA-N 2 0 269.389 -0.051 20 0 CBADRP C[C@@]1(C(=O)NCC2([NH3+])CCCCC2)C[C@H](O)C[NH2+]1 ZINC000911647197 657095261 /nfs/dbraw/zinc/09/52/61/657095261.db2.gz ULBDPPALBLZKNY-JQWIXIFHSA-N 2 0 255.362 -0.123 20 0 CBADRP O=C([C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC000911647104 657095275 /nfs/dbraw/zinc/09/52/75/657095275.db2.gz PECCUJVRCHNQCO-UPJWGTAASA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)C1=NOC2(C1)CC[NH2+]CC2 ZINC000911672180 657100173 /nfs/dbraw/zinc/10/01/73/657100173.db2.gz BENGDAQHQDCUEZ-SNVBAGLBSA-N 2 0 266.345 -0.247 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911674808 657101025 /nfs/dbraw/zinc/10/10/25/657101025.db2.gz WTGNJIZKSVOMPH-PWSUYJOCSA-N 2 0 270.377 -0.656 20 0 CBADRP C[NH2+]CCCNC(=O)CCNC(=O)[C@H]([NH3+])C(C)C ZINC000911677984 657101737 /nfs/dbraw/zinc/10/17/37/657101737.db2.gz QACZJGPSSGQIEL-LLVKDONJSA-N 2 0 258.366 -0.798 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCC1CC[NH2+]CC1 ZINC000911673825 657102012 /nfs/dbraw/zinc/10/20/12/657102012.db2.gz XYKRMSDMCRZSSZ-CYBMUJFWSA-N 2 0 284.404 -0.408 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N[C@H]2CCC[NH2+]C2)C1=O ZINC000911672706 657102181 /nfs/dbraw/zinc/10/21/81/657102181.db2.gz HDBUWXPYNYFUGL-WDEREUQCSA-N 2 0 268.361 -0.948 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N(C)C1CC[NH2+]CC1 ZINC000911692242 657103058 /nfs/dbraw/zinc/10/30/58/657103058.db2.gz NSVMTGUCZHUVMJ-ZDUSSCGKSA-N 2 0 284.404 -0.314 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)C12CCC(CC1)[NH2+]2 ZINC000911692962 657103714 /nfs/dbraw/zinc/10/37/14/657103714.db2.gz CIDJYNGGAOYGAO-UHFFFAOYSA-N 2 0 252.362 -0.708 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@]12CC[NH2+][C@H]1CCCC2 ZINC000911692965 657103975 /nfs/dbraw/zinc/10/39/75/657103975.db2.gz CNZUPSGBXMADJY-DZGCQCFKSA-N 2 0 280.416 -0.070 20 0 CBADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000911694342 657106248 /nfs/dbraw/zinc/10/62/48/657106248.db2.gz VAZCYHKJNDZVON-RYUDHWBXSA-N 2 0 256.394 -0.229 20 0 CBADRP CC(C)C[C@@H]([NH3+])CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911701876 657108409 /nfs/dbraw/zinc/10/84/09/657108409.db2.gz GFPYETUDLZWEME-LLVKDONJSA-N 2 0 270.377 -0.702 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)NC[C@@H]2CCC[NH2+]C2)n1 ZINC000911703124 657110960 /nfs/dbraw/zinc/11/09/60/657110960.db2.gz BJSCDUXXMRYGMJ-LLVKDONJSA-N 2 0 265.361 -0.039 20 0 CBADRP [NH3+]C[C@H]1CCCCN1C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911713078 657111544 /nfs/dbraw/zinc/11/15/44/657111544.db2.gz FMJHGLVFSHUACH-DGCLKSJQSA-N 2 0 255.362 -0.169 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)NC[C@@H]2CCC[NH2+]C2)C1=O ZINC000911708643 657111989 /nfs/dbraw/zinc/11/19/89/657111989.db2.gz XVXZDVMXWPGKAI-VXGBXAGGSA-N 2 0 282.388 -0.701 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911714596 657114241 /nfs/dbraw/zinc/11/42/41/657114241.db2.gz QXSLOGUGOGCKFX-DGCLKSJQSA-N 2 0 284.404 -0.266 20 0 CBADRP C[NH+](C)C1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000911726730 657116653 /nfs/dbraw/zinc/11/66/53/657116653.db2.gz GTPUAQGBLYCCCE-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP [NH3+]C1CCC(NC(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC000911726036 657117139 /nfs/dbraw/zinc/11/71/39/657117139.db2.gz RCUZVSHLYBSXGE-GCZXYKMCSA-N 2 0 255.362 -0.123 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C23CCC(CC2)[NH2+]3)C1 ZINC000911729467 657117288 /nfs/dbraw/zinc/11/72/88/657117288.db2.gz HAVXFHBIFJJIBG-BZUNDVKYSA-N 2 0 294.399 -0.416 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000911729762 657118263 /nfs/dbraw/zinc/11/82/63/657118263.db2.gz ISXZBKAKMGFJIR-FRRDWIJNSA-N 2 0 296.415 -0.455 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000911736573 657118889 /nfs/dbraw/zinc/11/88/89/657118889.db2.gz MDQJJSDEQQHWGX-AAEUAGOBSA-N 2 0 284.404 -0.314 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000911751775 657120814 /nfs/dbraw/zinc/12/08/14/657120814.db2.gz OIXYTVAPZTYQHS-GXFFZTMASA-N 2 0 266.345 -0.247 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH2+]2)C1=O ZINC000911751086 657120992 /nfs/dbraw/zinc/12/09/92/657120992.db2.gz IEFABXZTPZYEHU-QWRGUYRKSA-N 2 0 268.361 -0.948 20 0 CBADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC000911753804 657121852 /nfs/dbraw/zinc/12/18/52/657121852.db2.gz QRBDVKPXKXDHTJ-ZYHUDNBSSA-N 2 0 254.378 -0.524 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC000911752819 657122640 /nfs/dbraw/zinc/12/26/40/657122640.db2.gz HIBFJNCTYXVODK-AAEUAGOBSA-N 2 0 296.415 -0.231 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)NC[C@H]2CCC[NH2+]2)CCOCC1 ZINC000911753773 657123115 /nfs/dbraw/zinc/12/31/15/657123115.db2.gz GZRQSGAZVMMAQZ-WDEREUQCSA-N 2 0 255.362 -0.001 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC000911763861 657123874 /nfs/dbraw/zinc/12/38/74/657123874.db2.gz NIMASNJEYNTUFC-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000911762731 657124234 /nfs/dbraw/zinc/12/42/34/657124234.db2.gz CZKSAOOQLSQHIY-ZDUSSCGKSA-N 2 0 286.420 -0.020 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000911763582 657124495 /nfs/dbraw/zinc/12/44/95/657124495.db2.gz KNGGAPJLMDSCGO-ZDUSSCGKSA-N 2 0 257.378 -0.005 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)N(C)[C@@H]2CC[NH2+]C2)CCOCC1 ZINC000911787329 657128129 /nfs/dbraw/zinc/12/81/29/657128129.db2.gz IJLLICXFLMNAOV-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C[C@H](C)[NH2+]1 ZINC000911793921 657131038 /nfs/dbraw/zinc/13/10/38/657131038.db2.gz DUISPJIUAFNCRY-TUAOUCFPSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]1CN(C(=O)c2ccn(CCC[NH3+])n2)CC[NH2+]1 ZINC000911802379 657134096 /nfs/dbraw/zinc/13/40/96/657134096.db2.gz JIXNUHSJRLYZKE-SNVBAGLBSA-N 2 0 251.334 -0.334 20 0 CBADRP C[C@H]1CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[NH2+]1 ZINC000911810928 657136339 /nfs/dbraw/zinc/13/63/39/657136339.db2.gz NUNXRAYHIBDSBX-QWRGUYRKSA-N 2 0 268.361 -0.996 20 0 CBADRP C[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCN2C)[C@H]1C[NH3+] ZINC000911827497 657141419 /nfs/dbraw/zinc/14/14/19/657141419.db2.gz VRUNRRFCBKUHGW-GRYCIOLGSA-N 2 0 254.378 -0.524 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[NH2+]CC1(C)C ZINC000911848226 657147464 /nfs/dbraw/zinc/14/74/64/657147464.db2.gz WGMUOHGSTGEANN-LBPRGKRZSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000911864910 657148602 /nfs/dbraw/zinc/14/86/02/657148602.db2.gz UUXOZHOMVLJEFT-AAEUAGOBSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC000911871058 657150760 /nfs/dbraw/zinc/15/07/60/657150760.db2.gz QWXFHUFUIVAKKN-NQBHXWOUSA-N 2 0 257.378 -0.069 20 0 CBADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911877710 657151960 /nfs/dbraw/zinc/15/19/60/657151960.db2.gz CLRXRZOGVCOEQQ-TUAOUCFPSA-N 2 0 256.394 -0.149 20 0 CBADRP CN1CCN(C(=O)C[C@H]([NH3+])C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000911877643 657152965 /nfs/dbraw/zinc/15/29/65/657152965.db2.gz AVEHXEDQRSANCE-QWRGUYRKSA-N 2 0 256.394 -0.149 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000911880027 657153861 /nfs/dbraw/zinc/15/38/61/657153861.db2.gz JULJATJYIOAYPL-IVZWLZJFSA-N 2 0 261.391 -0.359 20 0 CBADRP CC(C)C[C@H]([NH3+])CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000911879325 657153923 /nfs/dbraw/zinc/15/39/23/657153923.db2.gz MJLJTCWGACBJLI-RYUDHWBXSA-N 2 0 256.394 -0.149 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)CCO1 ZINC000911878811 657154705 /nfs/dbraw/zinc/15/47/05/657154705.db2.gz APBJUSNUAISQKV-PWSUYJOCSA-N 2 0 296.371 -0.541 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CCO1 ZINC000911879071 657154775 /nfs/dbraw/zinc/15/47/75/657154775.db2.gz CGYIQYBRMKVFKD-GVXVVHGQSA-N 2 0 271.361 -0.934 20 0 CBADRP C[C@H]1[NH2+]CCn2c(C(=O)N3CCN(C)C[C@H]3C[NH3+])ccc21 ZINC000911880697 657155068 /nfs/dbraw/zinc/15/50/68/657155068.db2.gz XFFUMKWXPCOTGN-VXGBXAGGSA-N 2 0 291.399 -0.133 20 0 CBADRP CN1CCN(C(=O)COC2CC[NH+](C)CC2)[C@@H](C[NH3+])C1 ZINC000911880683 657155341 /nfs/dbraw/zinc/15/53/41/657155341.db2.gz XCYBDAZAAAKFBV-LBPRGKRZSA-N 2 0 284.404 -0.802 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)CCO1 ZINC000911881094 657155874 /nfs/dbraw/zinc/15/58/74/657155874.db2.gz CKXYGZZYBWEBTH-KQXIARHKSA-N 2 0 253.346 -0.439 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCO1 ZINC000911883276 657156618 /nfs/dbraw/zinc/15/66/18/657156618.db2.gz YHQQKARHLNUEHZ-AAEUAGOBSA-N 2 0 285.388 -0.328 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911939786 657171535 /nfs/dbraw/zinc/17/15/35/657171535.db2.gz ZYMSDOUBYZWNPZ-CYBMUJFWSA-N 2 0 269.389 -0.004 20 0 CBADRP COC(=O)CC(=O)NCCN(C)CCC[NH+](C)C ZINC000912387022 657247055 /nfs/dbraw/zinc/24/70/55/657247055.db2.gz MYBJOHOUMMBBHK-UHFFFAOYSA-N 2 0 259.350 -0.451 20 0 CBADRP CN(CC[N@H+](C)CCO)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000912599749 657289391 /nfs/dbraw/zinc/28/93/91/657289391.db2.gz SBWFEAVCVWDYKZ-UHFFFAOYSA-N 2 0 297.403 -0.559 20 0 CBADRP CN(CC[N@H+](C)CCO)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000912601080 657292228 /nfs/dbraw/zinc/29/22/28/657292228.db2.gz STBOIZUDFLGAPW-UHFFFAOYSA-N 2 0 299.415 -0.520 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912904224 657356747 /nfs/dbraw/zinc/35/67/47/657356747.db2.gz SJWNFLBULVDAOI-BZPMIXESSA-N 2 0 267.373 -0.252 20 0 CBADRP CN1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000913334582 657441946 /nfs/dbraw/zinc/44/19/46/657441946.db2.gz NXOHCGYJHBWGDO-LOWVWBTDSA-N 2 0 255.362 -0.348 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCCO)C2)C1 ZINC001015704641 657522445 /nfs/dbraw/zinc/52/24/45/657522445.db2.gz BODONGNKNHZNQB-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+](C)CC1(O)CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000913677346 657580955 /nfs/dbraw/zinc/58/09/55/657580955.db2.gz LKEFCTRFVBBLAW-UHFFFAOYSA-N 2 0 269.389 -0.004 20 0 CBADRP C[NH+](C)CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000913676027 657582030 /nfs/dbraw/zinc/58/20/30/657582030.db2.gz KIZCCBPDGGTXJA-LBPRGKRZSA-N 2 0 269.389 -0.004 20 0 CBADRP CN(CC(=O)N1CCN(C)CC1)C(=O)C[N@H+](C)C1CCC1 ZINC000913684173 657584245 /nfs/dbraw/zinc/58/42/45/657584245.db2.gz JWTLWQZBDQEREY-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016252552 657669799 /nfs/dbraw/zinc/66/97/99/657669799.db2.gz TZBUZUSUCSABAQ-NEPJUHHUSA-N 2 0 255.362 -0.347 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000916332812 657772189 /nfs/dbraw/zinc/77/21/89/657772189.db2.gz ZKIGGXVOFBWXDG-RYUDHWBXSA-N 2 0 272.393 -0.044 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000916841519 657788821 /nfs/dbraw/zinc/78/88/21/657788821.db2.gz GAHLLUYDGFFLFM-UPJWGTAASA-N 2 0 282.388 -0.147 20 0 CBADRP NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001018855254 657850344 /nfs/dbraw/zinc/85/03/44/657850344.db2.gz UBDHGHCWTNPYDU-NWDGAFQWSA-N 2 0 280.372 -0.996 20 0 CBADRP C[N@H+](CC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001018971877 657855826 /nfs/dbraw/zinc/85/58/26/657855826.db2.gz YERRLNHFZBWINJ-WCQYABFASA-N 2 0 294.399 -0.450 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC[C@H]([NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC001018963361 657856214 /nfs/dbraw/zinc/85/62/14/657856214.db2.gz LHACQOKTKXANIS-NWDGAFQWSA-N 2 0 294.399 -0.450 20 0 CBADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC001018999512 657858166 /nfs/dbraw/zinc/85/81/66/657858166.db2.gz VUEPKXXTDFNNLN-WOPDTQHZSA-N 2 0 284.404 -0.363 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC001019032195 657858982 /nfs/dbraw/zinc/85/89/82/657858982.db2.gz LANRRYMPFWGQQT-OUAUKWLOSA-N 2 0 270.377 -0.609 20 0 CBADRP CN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001019241629 657876102 /nfs/dbraw/zinc/87/61/02/657876102.db2.gz PJVIQIXOJGCJJT-YNEHKIRRSA-N 2 0 294.399 -0.498 20 0 CBADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001019259415 657877300 /nfs/dbraw/zinc/87/73/00/657877300.db2.gz HRUNTHPBDYYDTD-AVGNSLFASA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1)C(N)=O ZINC001019386168 657891900 /nfs/dbraw/zinc/89/19/00/657891900.db2.gz GLDUHHDBPRNEJY-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H](C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1)[NH+]1CCCCCC1 ZINC001019466226 657897579 /nfs/dbraw/zinc/89/75/79/657897579.db2.gz RWPWQQHEGLCXEP-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019468073 657898015 /nfs/dbraw/zinc/89/80/15/657898015.db2.gz FOWQQSYCNPOLTJ-STQMWFEESA-N 2 0 296.415 -0.075 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001019772818 657938582 /nfs/dbraw/zinc/93/85/82/657938582.db2.gz SJZHXXBQODSPJD-STQMWFEESA-N 2 0 292.387 -0.580 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001019775120 657938607 /nfs/dbraw/zinc/93/86/07/657938607.db2.gz YAXQXOBYRHGARB-NEPJUHHUSA-N 2 0 255.362 -0.347 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001020026111 657986093 /nfs/dbraw/zinc/98/60/93/657986093.db2.gz HMPQZVSCATUYRI-FIQHERPVSA-N 2 0 280.372 -0.794 20 0 CBADRP Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001020025723 657987341 /nfs/dbraw/zinc/98/73/41/657987341.db2.gz ZUCGNRIHGFBDDS-IJLUTSLNSA-N 2 0 292.387 -0.354 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001020028908 657989828 /nfs/dbraw/zinc/98/98/28/657989828.db2.gz NVQHFIYDRUVWJG-NAKRPEOUSA-N 2 0 268.361 -0.809 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001020028909 657992346 /nfs/dbraw/zinc/99/23/46/657992346.db2.gz NVQHFIYDRUVWJG-XWLWVQCSSA-N 2 0 268.361 -0.809 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001020150986 658020032 /nfs/dbraw/zinc/02/00/32/658020032.db2.gz GSIYGAMVCAMHEP-FDYHWXHSSA-N 2 0 294.399 -0.417 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)CC[N@@H+]1C ZINC001020171032 658021243 /nfs/dbraw/zinc/02/12/43/658021243.db2.gz KCLDKVUBBFUTQL-SYLRKERUSA-N 2 0 294.399 -0.548 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001020172342 658021665 /nfs/dbraw/zinc/02/16/65/658021665.db2.gz YSEJVGDHNKJFRR-SYLRKERUSA-N 2 0 269.389 -0.056 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020239257 658030009 /nfs/dbraw/zinc/03/00/09/658030009.db2.gz URAJIICQEYTETK-AVGNSLFASA-N 2 0 296.415 -0.029 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001020396189 658046893 /nfs/dbraw/zinc/04/68/93/658046893.db2.gz JCMGRFONJZQEGJ-XYPYZODXSA-N 2 0 287.323 -0.330 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCCOCC1 ZINC000922608354 658061820 /nfs/dbraw/zinc/06/18/20/658061820.db2.gz RPBJFERJAVPQNP-LBPRGKRZSA-N 2 0 270.377 -0.288 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001020586789 658076644 /nfs/dbraw/zinc/07/66/44/658076644.db2.gz ZDWGBZMWXGMFFY-LPWJVIDDSA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@H]([NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1)C(N)=O ZINC001020818616 658095295 /nfs/dbraw/zinc/09/52/95/658095295.db2.gz VFNMZCDTNRQZID-AVGNSLFASA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001020865991 658098473 /nfs/dbraw/zinc/09/84/73/658098473.db2.gz TZAFHPKVEVRNJG-JOCQHMNTSA-N 2 0 296.415 -0.171 20 0 CBADRP O=C(N[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001020933935 658117916 /nfs/dbraw/zinc/11/79/16/658117916.db2.gz NTKOCYJYSVEYIM-IJLUTSLNSA-N 2 0 292.383 -0.793 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001020928443 658119503 /nfs/dbraw/zinc/11/95/03/658119503.db2.gz FBXLEOUQAWQYKE-IJLUTSLNSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001020929270 658120038 /nfs/dbraw/zinc/12/00/38/658120038.db2.gz VYCJSWIYMWPGRM-CYDGBPFRSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001020933583 658121030 /nfs/dbraw/zinc/12/10/30/658121030.db2.gz JVHMGBWKDJEMIR-SRVKXCTJSA-N 2 0 267.373 -0.300 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NCC1([NH+](C)C)CC1 ZINC000923002101 658129736 /nfs/dbraw/zinc/12/97/36/658129736.db2.gz DVHGNBQNZUGYAV-UHFFFAOYSA-N 2 0 272.393 -0.306 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001021047606 658137862 /nfs/dbraw/zinc/13/78/62/658137862.db2.gz JCNCGSLAIMMCNO-KKOKHZNYSA-N 2 0 280.372 -0.937 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001021047459 658138628 /nfs/dbraw/zinc/13/86/28/658138628.db2.gz DPZISFOFMXPMKM-FDYHWXHSSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001021049322 658142218 /nfs/dbraw/zinc/14/22/18/658142218.db2.gz MEJJGVAIJFVQHX-USZNOCQGSA-N 2 0 255.362 -0.444 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001021096431 658151095 /nfs/dbraw/zinc/15/10/95/658151095.db2.gz SUAAEHKRKUYAQA-IJLUTSLNSA-N 2 0 282.388 -0.417 20 0 CBADRP [NH3+]C1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000923276722 658192097 /nfs/dbraw/zinc/19/20/97/658192097.db2.gz AWLYBNLEXLBJHV-STQMWFEESA-N 2 0 258.362 -0.034 20 0 CBADRP NC(=O)[C@H]1CCCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923299412 658198429 /nfs/dbraw/zinc/19/84/29/658198429.db2.gz UNCUJVFJRSZDMK-GHMZBOCLSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000923301153 658198859 /nfs/dbraw/zinc/19/88/59/658198859.db2.gz OUUYNRAVNXEDNE-XUXIUFHCSA-N 2 0 297.399 -0.592 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@@H](N3CCCC3=O)C2)C1 ZINC000923311560 658203659 /nfs/dbraw/zinc/20/36/59/658203659.db2.gz OLCJXHQLXYSKKW-RNJOBUHISA-N 2 0 267.373 -0.076 20 0 CBADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923322796 658211150 /nfs/dbraw/zinc/21/11/50/658211150.db2.gz ODZBTPGQAYJURX-UNQGMJICSA-N 3 0 285.432 -0.138 20 0 CBADRP COCCN1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923318952 658212008 /nfs/dbraw/zinc/21/20/08/658212008.db2.gz JUKCCIWGUMTWJE-ZDUSSCGKSA-N 2 0 269.389 -0.371 20 0 CBADRP COC[C@@](C)(CCO)[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923318744 658212834 /nfs/dbraw/zinc/21/28/34/658212834.db2.gz ONDBJLAUPXGLHK-NWDGAFQWSA-N 2 0 258.362 -0.258 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@H](CN3CCOCC3)C2)C1 ZINC000923325296 658214659 /nfs/dbraw/zinc/21/46/59/658214659.db2.gz SYAAYKTXQJPBAH-RFGFWPKPSA-N 2 0 269.389 -0.509 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C[C@@H](O)C[N@H+](C)CCOC ZINC000923330408 658217072 /nfs/dbraw/zinc/21/70/72/658217072.db2.gz DWBVVLJGTHLBMR-KGLIPLIRSA-N 2 0 273.421 -0.001 20 0 CBADRP CN1CC(=O)N(CC[N@@H+]2CCC3(C2)CC[NH2+]CC3)C1=O ZINC000923327540 658217308 /nfs/dbraw/zinc/21/73/08/658217308.db2.gz MZIAOQZSSYGMRP-UHFFFAOYSA-N 2 0 280.372 -0.044 20 0 CBADRP CN(C)C(=O)[C@@H](NC(C[NH3+])C[NH3+])c1ccccc1 ZINC000923350557 658220144 /nfs/dbraw/zinc/22/01/44/658220144.db2.gz BYCSNCSSNGRILN-LBPRGKRZSA-N 2 0 250.346 -0.309 20 0 CBADRP C[C@@H](NC(=O)CNC(C[NH3+])C[NH3+])c1ccc(F)cc1 ZINC000923350802 658222608 /nfs/dbraw/zinc/22/26/08/658222608.db2.gz DTOUJXFVPRPOKX-SECBINFHSA-N 2 0 268.336 -0.122 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)CNC(C[NH3+])C[NH3+])c1ccccc1 ZINC000923353802 658226353 /nfs/dbraw/zinc/22/63/53/658226353.db2.gz AFBFDUWDWOLBHZ-AWEZNQCLSA-N 3 0 293.415 -0.719 20 0 CBADRP C[C@@H]1CCC[C@@H](NC(=O)CNC(C[NH3+])C[NH3+])[C@H]1C ZINC000923353671 658226880 /nfs/dbraw/zinc/22/68/80/658226880.db2.gz ZVSGDCCQUMQWIZ-JFGNBEQYSA-N 2 0 256.394 -0.197 20 0 CBADRP COC(=O)c1ccccc1OCCNC(C[NH3+])C[NH3+] ZINC000923358466 658227924 /nfs/dbraw/zinc/22/79/24/658227924.db2.gz CKDASYOMIKKXBP-UHFFFAOYSA-N 2 0 267.329 -0.272 20 0 CBADRP COC(=O)[C@H](NC(C[NH3+])C[NH3+])c1ccccc1F ZINC000923359873 658228072 /nfs/dbraw/zinc/22/80/72/658228072.db2.gz VFRUCDBDFYAFJA-LLVKDONJSA-N 2 0 255.293 -0.085 20 0 CBADRP Cn1ccnc1[C@H]1C[NH2+]CCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923357111 658228257 /nfs/dbraw/zinc/22/82/57/658228257.db2.gz WMILPBXXDBRHLR-CHWSQXEVSA-N 2 0 291.399 -0.255 20 0 CBADRP O[C@@H](Cn1cccn1)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000923359003 658228616 /nfs/dbraw/zinc/22/86/16/658228616.db2.gz NVMRXHCORWOFSW-UPJWGTAASA-N 2 0 250.346 -0.072 20 0 CBADRP [NH3+]CC(C[NH3+])N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000923358571 658228971 /nfs/dbraw/zinc/22/89/71/658228971.db2.gz DAWYWVFIIXIZSA-GFCCVEGCSA-N 2 0 254.378 -0.204 20 0 CBADRP [NH3+]CC(C[NH3+])NCc1ccc(OCC(F)(F)F)nn1 ZINC000923359923 658229340 /nfs/dbraw/zinc/22/93/40/658229340.db2.gz XSULDAKPKOEYIB-UHFFFAOYSA-N 2 0 279.266 -0.207 20 0 CBADRP C[N@H+](C[C@@H](O)COC[C@@H]1CCCO1)C1CC([NH3+])C1 ZINC000923363664 658234216 /nfs/dbraw/zinc/23/42/16/658234216.db2.gz XINMYCFVTBONLB-TUUUFIMRSA-N 2 0 258.362 -0.036 20 0 CBADRP O[C@@H]1C[C@H]2CN(C[C@H]3CC4(C[NH2+]C4)CO3)CC[N@@H+]2C1 ZINC000923390729 658249909 /nfs/dbraw/zinc/24/99/09/658249909.db2.gz VMBHHPBKDNCHCD-YNEHKIRRSA-N 2 0 267.373 -0.884 20 0 CBADRP CCO[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C[NH3+] ZINC000923389869 658251210 /nfs/dbraw/zinc/25/12/10/658251210.db2.gz ZLICYZXQCYRNRW-JHJVBQTASA-N 2 0 268.361 -0.460 20 0 CBADRP O=C1OCCN1[C@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923392402 658253178 /nfs/dbraw/zinc/25/31/78/658253178.db2.gz RIPIOIYHROMDIA-NWDGAFQWSA-N 2 0 281.356 -0.109 20 0 CBADRP C[NH+](C)CCC[C@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923396482 658253729 /nfs/dbraw/zinc/25/37/29/658253729.db2.gz COLQOBHJWRTAJQ-XUXIUFHCSA-N 2 0 271.405 -0.120 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC2CC1(C[NH3+])C2 ZINC000923392321 658253930 /nfs/dbraw/zinc/25/39/30/658253930.db2.gz VJYGOSMAZHYBAR-OTTFEQOBSA-N 2 0 257.378 -0.651 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000923398060 658254486 /nfs/dbraw/zinc/25/44/86/658254486.db2.gz JQBKGNZWGCESKQ-IHRRRGAJSA-N 2 0 271.405 -0.261 20 0 CBADRP CO[C@@H]1CN(C[C@@H]2CC3(C[NH2+]C3)CO2)[C@](C)(C[NH3+])C1 ZINC000923410699 658263521 /nfs/dbraw/zinc/26/35/21/658263521.db2.gz IHQGWXOUWXFVAB-AVGNSLFASA-N 2 0 269.389 -0.197 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC000923412054 658264874 /nfs/dbraw/zinc/26/48/74/658264874.db2.gz WFZAEEXYABXRJC-AJNGGQMLSA-N 3 0 283.416 -0.073 20 0 CBADRP OCC[NH2+][C@H]1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000923409473 658264994 /nfs/dbraw/zinc/26/49/94/658264994.db2.gz RJSDTHGNLVMGFH-QWHCGFSZSA-N 2 0 269.389 -0.446 20 0 CBADRP C[C@@H]1C[N@H+](CCN2C(=O)CN(C)C2=O)C[C@H]1C[NH3+] ZINC000923411128 658267138 /nfs/dbraw/zinc/26/71/38/658267138.db2.gz LQHQVKUHPUDZNY-NXEZZACHSA-N 2 0 254.334 -0.593 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413868 658271160 /nfs/dbraw/zinc/27/11/60/658271160.db2.gz JBWFIVRWCSVRIR-ZDCRXTMVSA-N 2 0 255.318 -0.766 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000923419484 658271739 /nfs/dbraw/zinc/27/17/39/658271739.db2.gz AVYCKABTUPJHTN-IJLUTSLNSA-N 2 0 259.394 -0.359 20 0 CBADRP CN1CC(=O)N(CC[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)C1=O ZINC000923423046 658273637 /nfs/dbraw/zinc/27/36/37/658273637.db2.gz UVICJEKGIFXQBQ-DTWKUNHWSA-N 2 0 254.334 -0.404 20 0 CBADRP C(CN1CC[NH2+]CC[NH2+]CC1)OC[C@H]1CCCO1 ZINC000923463799 658290900 /nfs/dbraw/zinc/29/09/00/658290900.db2.gz VOMCXIZRBFQULU-CYBMUJFWSA-N 2 0 257.378 -0.323 20 0 CBADRP C(c1noc(C2CC2)n1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923465002 658298349 /nfs/dbraw/zinc/29/83/49/658298349.db2.gz UDXQDDMORXEXFF-UHFFFAOYSA-N 2 0 251.334 -0.058 20 0 CBADRP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923491497 658307805 /nfs/dbraw/zinc/30/78/05/658307805.db2.gz IERXAUYEFCFYLF-RDBSUJKOSA-N 2 0 273.421 -0.158 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923500240 658308425 /nfs/dbraw/zinc/30/84/25/658308425.db2.gz VWVWVCANGSITGL-UWVGGRQHSA-N 2 0 256.350 -0.251 20 0 CBADRP CNS(=O)(=O)CCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923501036 658309834 /nfs/dbraw/zinc/30/98/34/658309834.db2.gz YSTCQFISKABHRX-WDEREUQCSA-N 2 0 263.407 -0.158 20 0 CBADRP COC(=O)CCN1CC[C@@H]([N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000923515714 658312373 /nfs/dbraw/zinc/31/23/73/658312373.db2.gz FDXZOTPHALNZGC-IJLUTSLNSA-N 2 0 283.372 -0.323 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518910 658313164 /nfs/dbraw/zinc/31/31/64/658313164.db2.gz GGDQKUDSTZUHOX-NWDGAFQWSA-N 2 0 283.372 -0.451 20 0 CBADRP COC(=O)[C@]12C[C@H]1CCCN2CCC(=O)N1CC[NH2+]CC1 ZINC000923550336 658319292 /nfs/dbraw/zinc/31/92/92/658319292.db2.gz BKPSGULUWBIFQO-DOMZBBRYSA-N 2 0 295.383 -0.164 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923562115 658325243 /nfs/dbraw/zinc/32/52/43/658325243.db2.gz DIPKLXULNPWUPB-WDEREUQCSA-N 2 0 276.406 -0.662 20 0 CBADRP CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923576631 658335906 /nfs/dbraw/zinc/33/59/06/658335906.db2.gz LEPBGXCUFABOMU-NSHDSACASA-N 2 0 278.422 -0.558 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000923575520 658336674 /nfs/dbraw/zinc/33/66/74/658336674.db2.gz DNIXNFCBPXAJBG-ZYHUDNBSSA-N 2 0 273.402 -0.248 20 0 CBADRP CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923576629 658337156 /nfs/dbraw/zinc/33/71/56/658337156.db2.gz LEPBGXCUFABOMU-LLVKDONJSA-N 2 0 278.422 -0.558 20 0 CBADRP O=S(=O)([C@H]1CCC[NH2+]C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000923578384 658339273 /nfs/dbraw/zinc/33/92/73/658339273.db2.gz ZKZAPKARHNOTNQ-NEPJUHHUSA-N 2 0 273.402 -0.106 20 0 CBADRP CCC[NH+]1CCC(CNS(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923600987 658344690 /nfs/dbraw/zinc/34/46/90/658344690.db2.gz HTPSGVBSTOLPFA-UHFFFAOYSA-N 2 0 275.418 0.000 20 0 CBADRP C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)C1C[NH2+]C1 ZINC000923605662 658348736 /nfs/dbraw/zinc/34/87/36/658348736.db2.gz HCQVDWDZYDEWFV-UHFFFAOYSA-N 2 0 298.412 -0.253 20 0 CBADRP C[NH2+][C@H]1CCCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923635301 658367015 /nfs/dbraw/zinc/36/70/15/658367015.db2.gz FDGZGQLAWJGLEO-WDEREUQCSA-N 2 0 261.391 -0.248 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)[C@@H]3CCC[NH2+]C3)C[C@@H]12 ZINC000923635651 658367635 /nfs/dbraw/zinc/36/76/35/658367635.db2.gz OQSIHZZXQQJREF-DDHJBXDOSA-N 2 0 273.402 -0.263 20 0 CBADRP [NH3+]CCN(CCc1ccccc1)S(=O)(=O)C1C[NH2+]C1 ZINC000923646211 658373060 /nfs/dbraw/zinc/37/30/60/658373060.db2.gz UVABWSHDWOUXJD-UHFFFAOYSA-N 2 0 283.397 -0.209 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923646254 658373195 /nfs/dbraw/zinc/37/31/95/658373195.db2.gz PJZUTNBCKPLPTG-OUAUKWLOSA-N 2 0 261.391 -0.215 20 0 CBADRP [NH3+]C[C@@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000923645907 658373629 /nfs/dbraw/zinc/37/36/29/658373629.db2.gz IIABBFBHHZMVIJ-GHMZBOCLSA-N 2 0 277.390 -0.882 20 0 CBADRP [NH3+]C[C@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000923645913 658373938 /nfs/dbraw/zinc/37/39/38/658373938.db2.gz IIABBFBHHZMVIJ-WDEREUQCSA-N 2 0 277.390 -0.882 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923646252 658374251 /nfs/dbraw/zinc/37/42/51/658374251.db2.gz PJZUTNBCKPLPTG-GMTAPVOTSA-N 2 0 261.391 -0.215 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923645142 658374454 /nfs/dbraw/zinc/37/44/54/658374454.db2.gz LEOQJGJTVNIZLC-NEPJUHHUSA-N 2 0 289.401 -0.884 20 0 CBADRP [NH3+]CC1(CCNS(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923650695 658375869 /nfs/dbraw/zinc/37/58/69/658375869.db2.gz ADZGSPOTLSGIDH-SNVBAGLBSA-N 2 0 261.391 -0.213 20 0 CBADRP C[C@@H]1C[C@H](C)N(S(=O)(=O)N2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000923649223 658376037 /nfs/dbraw/zinc/37/60/37/658376037.db2.gz NHRKLUIXQDGENU-WOPDTQHZSA-N 2 0 290.433 -0.558 20 0 CBADRP C[C@@H]1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000923648869 658376395 /nfs/dbraw/zinc/37/63/95/658376395.db2.gz WGXUVLZXLLIHKR-IJLUTSLNSA-N 2 0 275.418 -0.015 20 0 CBADRP [NH3+]C1(CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)CCOCC1 ZINC000923661830 658384770 /nfs/dbraw/zinc/38/47/70/658384770.db2.gz NOGYIWCGOYTENC-SNVBAGLBSA-N 2 0 277.390 -0.834 20 0 CBADRP O=S(=O)(N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCC[NH2+]C1 ZINC000923659700 658385046 /nfs/dbraw/zinc/38/50/46/658385046.db2.gz LHZVKFOLSLMCGM-QWRGUYRKSA-N 2 0 273.402 -0.058 20 0 CBADRP O=S(=O)(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[NH2+]C1 ZINC000923659698 658386013 /nfs/dbraw/zinc/38/60/13/658386013.db2.gz LHZVKFOLSLMCGM-GHMZBOCLSA-N 2 0 273.402 -0.058 20 0 CBADRP CC(C)(C)[C@@]1(C[NH3+])CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923668802 658389577 /nfs/dbraw/zinc/38/95/77/658389577.db2.gz LODRYXYWQBLFSL-GFCCVEGCSA-N 2 0 275.418 -0.015 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000923666995 658390391 /nfs/dbraw/zinc/39/03/91/658390391.db2.gz QROPSSVWMUMJOO-MXWKQRLJSA-N 2 0 261.391 -0.405 20 0 CBADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000923670572 658391797 /nfs/dbraw/zinc/39/17/97/658391797.db2.gz AMBORKOKKZXKQD-GRYCIOLGSA-N 2 0 273.402 -0.106 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000923699002 658407521 /nfs/dbraw/zinc/40/75/21/658407521.db2.gz JHZJIPKVGKGMIS-LLVKDONJSA-N 2 0 263.407 -0.061 20 0 CBADRP O=C(NC[C@H]1C[N@H+](CCO)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC000958214929 658593968 /nfs/dbraw/zinc/59/39/68/658593968.db2.gz OSSVGURRCJMOGM-STQMWFEESA-N 2 0 297.399 -0.984 20 0 CBADRP CC[N@H+](CCN1C(=O)N[C@@H](C[NH+](C)C)C1=O)C1CC1 ZINC000924575551 658613319 /nfs/dbraw/zinc/61/33/19/658613319.db2.gz XHKBYLSZJLECPW-NSHDSACASA-N 2 0 268.361 -0.047 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924576988 658614860 /nfs/dbraw/zinc/61/48/60/658614860.db2.gz CVENZYLKGYKUHK-VXGBXAGGSA-N 2 0 298.387 -0.421 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@@H]1CNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000924990493 658701063 /nfs/dbraw/zinc/70/10/63/658701063.db2.gz GVTKARSVFGUOBK-DYEKYZERSA-N 2 0 285.388 -0.986 20 0 CBADRP CC[N@@H+]1CC[C@H]1CN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000925098795 658806378 /nfs/dbraw/zinc/80/63/78/658806378.db2.gz VGCXNUMGXOULRB-VHSXEESVSA-N 2 0 254.334 -0.437 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000961768535 658833844 /nfs/dbraw/zinc/83/38/44/658833844.db2.gz BXSVBKPMYRDOLG-NMKXLXIOSA-N 2 0 267.373 -0.491 20 0 CBADRP C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[C@H](O)C[NH+]2C)CC[N@@H+]1C ZINC000925357661 658835441 /nfs/dbraw/zinc/83/54/41/658835441.db2.gz WYNRNWIAUNISPY-NOOOWODRSA-N 2 0 270.377 -0.557 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000925396598 658838132 /nfs/dbraw/zinc/83/81/32/658838132.db2.gz AQXHEQPWGUOBKR-CHWSQXEVSA-N 2 0 284.404 -0.164 20 0 CBADRP C[NH+](C)C[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C)CCO1 ZINC000925405351 658838807 /nfs/dbraw/zinc/83/88/07/658838807.db2.gz FWGVVLRSUXKEJJ-NEPJUHHUSA-N 2 0 270.377 -0.338 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000925412946 658841803 /nfs/dbraw/zinc/84/18/03/658841803.db2.gz DXGXYTQZXWHHOX-JQWIXIFHSA-N 2 0 256.350 -0.944 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000925424508 658846527 /nfs/dbraw/zinc/84/65/27/658846527.db2.gz MGCKHMRJDDZEHS-CHWSQXEVSA-N 2 0 284.404 -0.164 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H]1[NH+]1CC[C@@H](O)C1 ZINC000925425124 658848076 /nfs/dbraw/zinc/84/80/76/658848076.db2.gz DFGRGQLTNFXVJO-SYQHCUMBSA-N 2 0 296.415 -0.023 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000962297584 658850371 /nfs/dbraw/zinc/85/03/71/658850371.db2.gz MXSXNVZGVYVMQJ-GDNZZTSVSA-N 2 0 265.357 -0.879 20 0 CBADRP COC(=O)[C@H]1CN(C(=O)NC[C@H]2CC[NH+]2C)CC[N@H+](C)C1 ZINC000925432461 658850783 /nfs/dbraw/zinc/85/07/83/658850783.db2.gz SPLAIBYBIIFOQA-VXGBXAGGSA-N 2 0 298.387 -0.563 20 0 CBADRP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C)CC[N@H+](C)C1 ZINC000925432457 658851510 /nfs/dbraw/zinc/85/15/10/658851510.db2.gz SPLAIBYBIIFOQA-NEPJUHHUSA-N 2 0 298.387 -0.563 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H]1C[C@@H](O)C[NH+]1C ZINC000925431190 658851532 /nfs/dbraw/zinc/85/15/32/658851532.db2.gz FAYBYFBCEBHNER-GMTAPVOTSA-N 2 0 256.350 -0.945 20 0 CBADRP CCCNC(=O)CN1CCC([NH2+][C@H]2CNCCOC2)CC1 ZINC000925544643 658858227 /nfs/dbraw/zinc/85/82/27/658858227.db2.gz UAMCTVQJDOKRCI-AWEZNQCLSA-N 2 0 298.431 -0.445 20 0 CBADRP O=S1(=O)CCCN1CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925592806 658861082 /nfs/dbraw/zinc/86/10/82/658861082.db2.gz YQEXDYBNUWERKT-MEBFFEOJSA-N 2 0 299.440 -0.002 20 0 CBADRP O=C(CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)N1CC[NH2+]CC1 ZINC000925689807 658865408 /nfs/dbraw/zinc/86/54/08/658865408.db2.gz IQVPTXOHINDGKH-FFNLUWKOSA-N 2 0 264.373 -0.996 20 0 CBADRP CC1(C)[C@@H](NCC(=O)N2CC[NH2+]CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925690705 658865914 /nfs/dbraw/zinc/86/59/14/658865914.db2.gz KUKMJTXBENRQJC-XBFCOCLRSA-N 2 0 280.416 -0.216 20 0 CBADRP [NH3+][C@H]1C[C@@H](NCC(=O)N2CC[NH2+]CC2)C12CCC2 ZINC000925693775 658865938 /nfs/dbraw/zinc/86/59/38/658865938.db2.gz RQQKDUFNBIIJEM-WDEREUQCSA-N 2 0 252.362 -0.722 20 0 CBADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000925685841 658866164 /nfs/dbraw/zinc/86/61/64/658866164.db2.gz NWBIIAHXHQXPDW-IJLVLRJLSA-N 2 0 265.361 -0.256 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000925715226 658866642 /nfs/dbraw/zinc/86/66/42/658866642.db2.gz AYXRANZOMUSCGA-WPRPVWTQSA-N 2 0 251.334 -0.129 20 0 CBADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3COC[C@H]2C[C@@H]([NH3+])C3)C1 ZINC000925701507 658867062 /nfs/dbraw/zinc/86/70/62/658867062.db2.gz ALXRXRWBBIATSB-ZRTYVNEUSA-N 2 0 253.346 -0.408 20 0 CBADRP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2[C@@H]3COC[C@H]2C[C@@H]([NH3+])C3)C1 ZINC000925717199 658866940 /nfs/dbraw/zinc/86/69/40/658866940.db2.gz ALXRXRWBBIATSB-JXAVWFCHSA-N 2 0 253.346 -0.408 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925724670 658867815 /nfs/dbraw/zinc/86/78/15/658867815.db2.gz LMTMDNYEAJJBNJ-RYUDHWBXSA-N 2 0 257.378 -0.590 20 0 CBADRP C(N[C@@H]1C[NH2+]CCOC1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000925732515 658869139 /nfs/dbraw/zinc/86/91/39/658869139.db2.gz YKFDMRKEGDBIGD-CHWSQXEVSA-N 2 0 269.389 -0.277 20 0 CBADRP O=C1NCCN1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000925777588 658870725 /nfs/dbraw/zinc/87/07/25/658870725.db2.gz OSGBNJVPDXYRGX-QJPTWQEYSA-N 2 0 252.362 -0.011 20 0 CBADRP C1CC2(CCO1)C[NH2+]C[C@H](N[C@@H]1C[NH2+]CCOC1)C2 ZINC000925797794 658872813 /nfs/dbraw/zinc/87/28/13/658872813.db2.gz OJZUORTYRWZDEJ-CHWSQXEVSA-N 2 0 269.389 -0.277 20 0 CBADRP CCS(=O)(=O)C[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925814739 658872882 /nfs/dbraw/zinc/87/28/82/658872882.db2.gz LRUAMROBRZTNQN-LLVKDONJSA-N 2 0 277.434 -0.178 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)CC[C@@H]1C[NH3+] ZINC000926295078 658891342 /nfs/dbraw/zinc/89/13/42/658891342.db2.gz YOBHYPCNJNFGPN-NWDGAFQWSA-N 2 0 284.404 -0.550 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)CC[C@@H]1C[NH3+] ZINC000926330818 658893057 /nfs/dbraw/zinc/89/30/57/658893057.db2.gz OFGBLJBOLZDBAZ-JHJVBQTASA-N 2 0 296.415 -0.408 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000926335108 658893352 /nfs/dbraw/zinc/89/33/52/658893352.db2.gz PVSWWGCJFRTEQX-STQMWFEESA-N 2 0 294.399 -0.510 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926354386 658895575 /nfs/dbraw/zinc/89/55/75/658895575.db2.gz QCLNYQUYILYJCR-ZDUSSCGKSA-N 2 0 298.431 -0.016 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)C[C@H]1[NH3+] ZINC000926344576 658895966 /nfs/dbraw/zinc/89/59/66/658895966.db2.gz KYWYUHYIOTYPAS-FDYHWXHSSA-N 2 0 296.415 -0.409 20 0 CBADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000926650402 658910418 /nfs/dbraw/zinc/91/04/18/658910418.db2.gz NXYNGJUDAFMBSR-DAAZQVBGSA-N 2 0 287.429 -0.050 20 0 CBADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCN1CC[C@H](O)C1 ZINC000926773401 658913975 /nfs/dbraw/zinc/91/39/75/658913975.db2.gz ABEDCRXLHRJKMB-WJLOJVBCSA-N 2 0 253.390 -0.017 20 0 CBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@@H]([NH2+]CCO)C1 ZINC000968702032 658938742 /nfs/dbraw/zinc/93/87/42/658938742.db2.gz BSTBUOYPWPXORM-CHWSQXEVSA-N 2 0 267.373 -0.489 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](CCCO)C1 ZINC000969409348 658988837 /nfs/dbraw/zinc/98/88/37/658988837.db2.gz ASQIAABGUFLRDV-YPMHNXCESA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000969954164 659025186 /nfs/dbraw/zinc/02/51/86/659025186.db2.gz ANMTZCPELHPEKJ-WDEREUQCSA-N 2 0 268.361 -0.996 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000969950443 659025384 /nfs/dbraw/zinc/02/53/84/659025384.db2.gz IEAUDZSGOPOCLK-GHMZBOCLSA-N 2 0 268.361 -0.854 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928559534 659041767 /nfs/dbraw/zinc/04/17/67/659041767.db2.gz ZLKKVGGVMKSWBY-RYUDHWBXSA-N 2 0 255.362 -0.225 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000928562492 659047158 /nfs/dbraw/zinc/04/71/58/659047158.db2.gz GRGVPSVQYWBHDK-LBPRGKRZSA-N 2 0 254.378 -0.556 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000970355306 659052112 /nfs/dbraw/zinc/05/21/12/659052112.db2.gz LIFYSQBFCFMPNT-CHWSQXEVSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000970490628 659059356 /nfs/dbraw/zinc/05/93/56/659059356.db2.gz WJLKKRVGVPJQBZ-NWDGAFQWSA-N 2 0 267.373 -0.347 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000971686656 659095719 /nfs/dbraw/zinc/09/57/19/659095719.db2.gz DFZTVTWQBNBXNQ-AAEUAGOBSA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@H](O)[C@H](O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000930136963 659217333 /nfs/dbraw/zinc/21/73/33/659217333.db2.gz PXFASIQTHJUFAS-LXTVHRRPSA-N 2 0 285.432 -0.314 20 0 CBADRP O=C([C@@H]1C[NH+]2CCC[C@H]2CO1)N1CCC[N@@H+](CCO)CC1 ZINC000981208692 659310712 /nfs/dbraw/zinc/31/07/12/659310712.db2.gz BOKBUZLGUFSEIJ-KBPBESRZSA-N 2 0 297.399 -0.624 20 0 CBADRP C[C@H]1C[N@H+](CCO)CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000930675400 659320440 /nfs/dbraw/zinc/32/04/40/659320440.db2.gz OPEIOGVWVBGXMD-UONOGXRCSA-N 2 0 271.405 -0.559 20 0 CBADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)[C@@H](C)C[N@@H+]1CCO ZINC000930744345 659334396 /nfs/dbraw/zinc/33/43/96/659334396.db2.gz VQLNOQCPMNOYIQ-ILXRZTDVSA-N 2 0 285.432 -0.170 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC[NH+](CCO)CC1 ZINC000981958585 659336636 /nfs/dbraw/zinc/33/66/36/659336636.db2.gz GAUHXXOVIJLLNY-CHWSQXEVSA-N 2 0 269.389 -0.289 20 0 CBADRP C[C@@H](O)[C@@H](O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000930823714 659344194 /nfs/dbraw/zinc/34/41/94/659344194.db2.gz TUPNFTMVZZQTMC-NEPJUHHUSA-N 2 0 258.362 -0.475 20 0 CBADRP C[C@H](O)[C@@H](O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000930823716 659345677 /nfs/dbraw/zinc/34/56/77/659345677.db2.gz TUPNFTMVZZQTMC-RYUDHWBXSA-N 2 0 258.362 -0.475 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC000985124613 659373952 /nfs/dbraw/zinc/37/39/52/659373952.db2.gz ZYEISMGCOJTFRZ-JHJVBQTASA-N 2 0 294.399 -0.545 20 0 CBADRP C[N@H+](CC(N)=O)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000985327976 659381062 /nfs/dbraw/zinc/38/10/62/659381062.db2.gz OXWANYYPBVQJTN-LBPRGKRZSA-N 2 0 282.388 -0.511 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)CC(N)=O)CC2)CC[N@@H+]1C ZINC000985442755 659386011 /nfs/dbraw/zinc/38/60/11/659386011.db2.gz QWPCWCXRBANDAE-DGCLKSJQSA-N 2 0 296.415 -0.265 20 0 CBADRP C[NH+](C)[C@H](C(=O)N1CCC([N@H+](C)CC(N)=O)CC1)C1CC1 ZINC000985470906 659386813 /nfs/dbraw/zinc/38/68/13/659386813.db2.gz QXMRENXGVLWRDR-AWEZNQCLSA-N 2 0 296.415 -0.265 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N1CCC([N@H+](C)CC(N)=O)CC1)C1CC1 ZINC000985470915 659386884 /nfs/dbraw/zinc/38/68/84/659386884.db2.gz QXMRENXGVLWRDR-CQSZACIVSA-N 2 0 296.415 -0.265 20 0 CBADRP C[N@H+](CC(N)=O)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000985498514 659387819 /nfs/dbraw/zinc/38/78/19/659387819.db2.gz LFTSFFAJBSHPEV-ZDUSSCGKSA-N 2 0 296.415 -0.121 20 0 CBADRP C[N@H+](CC(N)=O)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000985615113 659392616 /nfs/dbraw/zinc/39/26/16/659392616.db2.gz USPLQQKXIRRRIV-UHFFFAOYSA-N 2 0 296.415 -0.264 20 0 CBADRP C[N@H+](CC(N)=O)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000985755220 659396867 /nfs/dbraw/zinc/39/68/67/659396867.db2.gz GFQYVEPXCJIBFJ-UHFFFAOYSA-N 2 0 294.399 -0.510 20 0 CBADRP C[N@H+](CC(N)=O)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000985751534 659398069 /nfs/dbraw/zinc/39/80/69/659398069.db2.gz NUHRSNSITNUNSO-LBPRGKRZSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000985794198 659399783 /nfs/dbraw/zinc/39/97/83/659399783.db2.gz ZROWHIOJNKJPAK-NWDGAFQWSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@@H]1[C@@H]([NH2+]CCO)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986817271 659483110 /nfs/dbraw/zinc/48/31/10/659483110.db2.gz XLMXCOQKNQLDQK-YPMHNXCESA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986829795 659484252 /nfs/dbraw/zinc/48/42/52/659484252.db2.gz SMJGSYGLXNNTIU-CMPLNLGQSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000986959301 659485254 /nfs/dbraw/zinc/48/52/54/659485254.db2.gz PBSNYPYSXSMDIV-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000987251240 659500185 /nfs/dbraw/zinc/50/01/85/659500185.db2.gz ARZILCSCNRBRPO-STQMWFEESA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987355474 659503013 /nfs/dbraw/zinc/50/30/13/659503013.db2.gz GPAHVJAZDKBYKG-MNOVXSKESA-N 2 0 280.372 -0.854 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989390103 659583682 /nfs/dbraw/zinc/58/36/82/659583682.db2.gz MSSQTFXUFZVAOR-PWSUYJOCSA-N 2 0 282.388 -0.608 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[NH+](CCO)CC2)C1 ZINC000989482427 659589449 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C[C@H]1C[C@@H]([NH2+]CCO)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989681576 659608677 /nfs/dbraw/zinc/60/86/77/659608677.db2.gz DLFQWWFNYZGBDZ-NWDGAFQWSA-N 2 0 267.373 -0.347 20 0 CBADRP CCN(C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933754512 659737089 /nfs/dbraw/zinc/73/70/89/659737089.db2.gz CHUALOKLRDSDQS-OBJOEFQTSA-N 2 0 269.389 -0.114 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[NH+]2CCCC2)C1 ZINC000990526551 659756550 /nfs/dbraw/zinc/75/65/50/659756550.db2.gz SCYHFKRGQPAFHO-ZDUSSCGKSA-N 2 0 294.399 -0.497 20 0 CBADRP C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H]1CN(C)CCO1 ZINC000934967725 659813958 /nfs/dbraw/zinc/81/39/58/659813958.db2.gz XQZNMWWNSVVWEF-OCCSQVGLSA-N 2 0 299.415 -0.068 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCO)C(C)(C)C1 ZINC000995552361 659902520 /nfs/dbraw/zinc/90/25/20/659902520.db2.gz QOHWLTSJGBTSQE-VXGBXAGGSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CCN1CC(N)=O ZINC000947685934 659960168 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CC[NH+]1CCN(CCC(=O)N2CCC([NH3+])CC2)CC1 ZINC000032048548 790320308 /nfs/dbraw/zinc/32/03/08/790320308.db2.gz KGOCYMRDOQBZSS-UHFFFAOYSA-N 2 0 268.405 -0.036 20 0 CBADRP CC[NH+](CC)CCCNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000019511786 790319227 /nfs/dbraw/zinc/31/92/27/790319227.db2.gz OBVOXXGLDNYELA-NSHDSACASA-N 2 0 293.433 -0.404 20 0 CBADRP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000044413008 790325175 /nfs/dbraw/zinc/32/51/75/790325175.db2.gz NRWSYUATUOTAFC-QWRGUYRKSA-N 2 0 268.361 -0.996 20 0 CBADRP CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCN2)CC1 ZINC000062812984 790343265 /nfs/dbraw/zinc/34/32/65/790343265.db2.gz IMAJGLANJVAPKE-NSHDSACASA-N 2 0 254.378 -0.510 20 0 CBADRP C[NH+](C)C1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000128919187 790386821 /nfs/dbraw/zinc/38/68/21/790386821.db2.gz PUFMEEUVURAXOE-NSHDSACASA-N 2 0 255.362 -0.083 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[NH2+]CCO3)CC[C@H]21 ZINC000227333165 790433665 /nfs/dbraw/zinc/43/36/65/790433665.db2.gz JBXUQKHZQSYAQT-XQQFMLRXSA-N 2 0 267.373 -0.083 20 0 CBADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](O)CO[C@H](C)COC)C1 ZINC000300262166 790469086 /nfs/dbraw/zinc/46/90/86/790469086.db2.gz PYQXYJCIXCGKPW-FRRDWIJNSA-N 2 0 260.378 -0.060 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000339762044 790489539 /nfs/dbraw/zinc/48/95/39/790489539.db2.gz WYCQZFRCVKNNDW-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP [NH3+]C[C@@H]1CCCC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000382181653 790523608 /nfs/dbraw/zinc/52/36/08/790523608.db2.gz UCOLQCYBYNPGSS-KBPBESRZSA-N 2 0 271.405 -0.260 20 0 CBADRP [NH3+]C[C@H]1CCCC[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000382181659 790523761 /nfs/dbraw/zinc/52/37/61/790523761.db2.gz UCOLQCYBYNPGSS-ZIAGYGMSSA-N 2 0 271.405 -0.260 20 0 CBADRP O[C@@H](CN1CCN([C@@H]2CC[NH2+]C2)CC1)C[NH+]1CCCC1 ZINC000383925818 790530240 /nfs/dbraw/zinc/53/02/40/790530240.db2.gz TZPDFZNYZUYFAK-HUUCEWRRSA-N 2 0 282.432 -0.577 20 0 CBADRP COCC(COC)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000384906865 790540904 /nfs/dbraw/zinc/54/09/04/790540904.db2.gz CHJPWYDHNQGHPX-NSHDSACASA-N 2 0 273.377 -0.565 20 0 CBADRP CN(C)C(=O)CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000385317757 790540965 /nfs/dbraw/zinc/54/09/65/790540965.db2.gz HMNAWRWYDDNNSU-LBPRGKRZSA-N 2 0 254.378 -0.556 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000385414223 790542941 /nfs/dbraw/zinc/54/29/41/790542941.db2.gz UGFMNPZIRBQHJF-NWDGAFQWSA-N 2 0 254.378 -0.524 20 0 CBADRP CCN(C[C@H](O)C[N@H+](C)CCOC)[C@@H]1CC[NH2+]C1 ZINC000386479993 790547679 /nfs/dbraw/zinc/54/76/79/790547679.db2.gz VXAUFNSPTZRPPM-CHWSQXEVSA-N 2 0 259.394 -0.391 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000388877080 790558280 /nfs/dbraw/zinc/55/82/80/790558280.db2.gz RRDXHTRPCITSCI-MJBXVCDLSA-N 3 0 273.421 -0.158 20 0 CBADRP CCS(=O)(=O)NCC[NH2+]CC1CC[NH+](C)CC1 ZINC000390400216 790566557 /nfs/dbraw/zinc/56/65/57/790566557.db2.gz TTZJNEDXQYRRTC-UHFFFAOYSA-N 2 0 263.407 -0.143 20 0 CBADRP [NH3+][C@H](CC1CC1)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394383813 790576317 /nfs/dbraw/zinc/57/63/17/790576317.db2.gz GHSJOZBUGFFLJZ-QWHCGFSZSA-N 2 0 266.389 -0.380 20 0 CBADRP CCCN(C[C@H](O)C[N@H+](C)CCOC)[C@@H]1CC[NH2+]C1 ZINC000394062036 790576824 /nfs/dbraw/zinc/57/68/24/790576824.db2.gz AMRVCHWNJNNZQU-ZIAGYGMSSA-N 2 0 273.421 -0.001 20 0 CBADRP [NH3+][C@@H](CC1CC1)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394383812 790577699 /nfs/dbraw/zinc/57/76/99/790577699.db2.gz GHSJOZBUGFFLJZ-OLZOCXBDSA-N 2 0 266.389 -0.380 20 0 CBADRP O=C1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCN1 ZINC000396673256 790581778 /nfs/dbraw/zinc/58/17/78/790581778.db2.gz ASGPVCMKBLKVHB-VXGBXAGGSA-N 2 0 255.362 -0.299 20 0 CBADRP O=C1CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CCN1 ZINC000396673249 790582672 /nfs/dbraw/zinc/58/26/72/790582672.db2.gz ASGPVCMKBLKVHB-NEPJUHHUSA-N 2 0 255.362 -0.299 20 0 CBADRP C[NH+]1CCC(O)(CNC(=O)C[NH2+]C(C)(C)C)CC1 ZINC000397590104 790593745 /nfs/dbraw/zinc/59/37/45/790593745.db2.gz LVIZCKJFKPFKMF-UHFFFAOYSA-N 2 0 257.378 -0.053 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1[C@H](C)C[NH2+][C@H](C)[C@@H]1C ZINC000401185905 790605810 /nfs/dbraw/zinc/60/58/10/790605810.db2.gz FASBRVJTGCXYHX-MQYQWHSLSA-N 2 0 273.421 -0.004 20 0 CBADRP CC(C)[NH+](CCNS(=O)(=O)C1C[NH2+]C1)C(C)C ZINC000405099237 790612774 /nfs/dbraw/zinc/61/27/74/790612774.db2.gz LIWLVWKFDMRZEL-UHFFFAOYSA-N 2 0 263.407 -0.004 20 0 CBADRP C[NH+](C)C1(CNS(=O)(=O)C2C[NH2+]C2)CCCC1 ZINC000405099986 790612848 /nfs/dbraw/zinc/61/28/48/790612848.db2.gz LYHCCWOIYXOMSW-UHFFFAOYSA-N 2 0 261.391 -0.248 20 0 CBADRP CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000405208546 790616677 /nfs/dbraw/zinc/61/66/77/790616677.db2.gz BMSIZKPPXMMROT-HBNTYKKESA-N 2 0 273.402 -0.120 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)C3C[NH2+]C3)CC[C@H]21 ZINC000405163642 790616765 /nfs/dbraw/zinc/61/67/65/790616765.db2.gz ZYZSPHHFQORBLW-CMPLNLGQSA-N 2 0 273.402 -0.296 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000405168009 790616816 /nfs/dbraw/zinc/61/68/16/790616816.db2.gz KPFZGOFLXATVBP-JTQLQIEISA-N 2 0 259.375 -0.542 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000529390797 790630782 /nfs/dbraw/zinc/63/07/82/790630782.db2.gz WCBMTUCKUAILFC-JSGCOSHPSA-N 2 0 282.388 -0.240 20 0 CBADRP COCC(=O)N[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000586058389 790636607 /nfs/dbraw/zinc/63/66/07/790636607.db2.gz ARMNYGUISOYALW-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP COC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000686237105 790649016 /nfs/dbraw/zinc/64/90/16/790649016.db2.gz NZPBPVRXCPQRSY-QWRGUYRKSA-N 2 0 269.345 -0.062 20 0 CBADRP COC(=O)N[C@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000686237117 790650900 /nfs/dbraw/zinc/65/09/00/790650900.db2.gz NZPBPVRXCPQRSY-WDEREUQCSA-N 2 0 269.345 -0.062 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCO)C2)CC1 ZINC000691898629 790673547 /nfs/dbraw/zinc/67/35/47/790673547.db2.gz NFLIZBXHIGWAEE-CYBMUJFWSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+]1CCC(C(=O)N2CCC[N@H+](CCO)CC2)CC1 ZINC000691902611 790674471 /nfs/dbraw/zinc/67/44/71/790674471.db2.gz HXCCYMTXCNYHEG-UHFFFAOYSA-N 2 0 269.389 -0.145 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000693575444 790682422 /nfs/dbraw/zinc/68/24/22/790682422.db2.gz VXHVRVIMJTWQQZ-KKOKHZNYSA-N 2 0 253.346 -0.297 20 0 CBADRP [NH3+]C[C@@H]1CCCN(CCN2CCCS2(=O)=O)C1 ZINC000695059761 790687771 /nfs/dbraw/zinc/68/77/71/790687771.db2.gz IBJBMDFTSVCNBB-NSHDSACASA-N 2 0 261.391 -0.307 20 0 CBADRP CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000696231089 790688674 /nfs/dbraw/zinc/68/86/74/790688674.db2.gz XXLDHUJAQGTPCF-RYUDHWBXSA-N 2 0 276.402 -0.270 20 0 CBADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)CC[C@H]1C[NH3+] ZINC000695399398 790689803 /nfs/dbraw/zinc/68/98/03/790689803.db2.gz JYHPYAFWFCMDJS-ZJUUUORDSA-N 2 0 254.334 -0.545 20 0 CBADRP C[C@H](CCNS(=O)(=O)[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000697905705 790694153 /nfs/dbraw/zinc/69/41/53/790694153.db2.gz HIFBNWMJIMZSSD-GHMZBOCLSA-N 2 0 263.407 -0.002 20 0 CBADRP C[C@H]1C[C@H](N2CCN(CC(=O)N(C)C)CC2)CC[NH2+]1 ZINC000700800032 790709758 /nfs/dbraw/zinc/70/97/58/790709758.db2.gz BTNOTLYAMRYHTN-QWHCGFSZSA-N 2 0 268.405 -0.167 20 0 CBADRP C[NH+](C)CC1(O)CC[NH+](CCn2cncn2)CC1 ZINC000710562278 790740584 /nfs/dbraw/zinc/74/05/84/790740584.db2.gz NVYQTOIMKGIVTQ-UHFFFAOYSA-N 2 0 253.350 -0.333 20 0 CBADRP CC(C)(CNC(=O)[C@@H]1C[C@@H]1C[NH3+])N1CCOCC1 ZINC000715112157 790752031 /nfs/dbraw/zinc/75/20/31/790752031.db2.gz AAKNFVCQOSOEHJ-GHMZBOCLSA-N 2 0 255.362 -0.192 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000715100276 790752331 /nfs/dbraw/zinc/75/23/31/790752331.db2.gz GCZYLHQTPKRLAK-AVGNSLFASA-N 2 0 267.373 -0.096 20 0 CBADRP [NH3+]CCOCC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000720435690 790764418 /nfs/dbraw/zinc/76/44/18/790764418.db2.gz JSAIMYXLWGQVCD-MNOVXSKESA-N 2 0 273.402 -0.342 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(C(=O)NCCO)CC1 ZINC000721044534 790776835 /nfs/dbraw/zinc/77/68/35/790776835.db2.gz ARCPRAGZNVJCCM-YPMHNXCESA-N 2 0 269.389 -0.338 20 0 CBADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[NH2+]CCO1 ZINC000720889861 790772939 /nfs/dbraw/zinc/77/29/39/790772939.db2.gz QDHVKCXCVVUIOK-TUAOUCFPSA-N 2 0 253.346 -0.330 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720904869 790774417 /nfs/dbraw/zinc/77/44/17/790774417.db2.gz XMABXWJOFKHCOQ-QJPTWQEYSA-N 2 0 254.378 -0.430 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000723553935 790798991 /nfs/dbraw/zinc/79/89/91/790798991.db2.gz WUJRSZFKFZHFID-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723844589 790801800 /nfs/dbraw/zinc/80/18/00/790801800.db2.gz QKQPGCYZVKIOMP-JHJVBQTASA-N 2 0 259.394 -0.548 20 0 CBADRP Cn1c(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc(=O)n(C)c1=O ZINC000723678477 790803358 /nfs/dbraw/zinc/80/33/58/790803358.db2.gz SQAGOPQJFGUMBI-JTQLQIEISA-N 2 0 266.345 -0.745 20 0 CBADRP [NH3+]CC[C@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000723710541 790803573 /nfs/dbraw/zinc/80/35/73/790803573.db2.gz VNFJZYDOZJSYQA-NSHDSACASA-N 2 0 261.391 -0.307 20 0 CBADRP CO[C@@H]1CC[C@H]1[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000724152665 790806577 /nfs/dbraw/zinc/80/65/77/790806577.db2.gz MKAQSXGLIJWZFY-VXGBXAGGSA-N 2 0 255.362 -0.083 20 0 CBADRP C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)O[C@@H]1CCOC1 ZINC000724930056 790814931 /nfs/dbraw/zinc/81/49/31/790814931.db2.gz GDUZYRVBJFXIHL-ZIAGYGMSSA-N 2 0 269.389 -0.229 20 0 CBADRP NC(=O)NC(=O)OCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000772175515 790824401 /nfs/dbraw/zinc/82/44/01/790824401.db2.gz QDKWBMDSELCERB-IUCAKERBSA-N 2 0 256.306 -0.667 20 0 CBADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C[C@H](O)CN1CCOCC1 ZINC000822126682 790833169 /nfs/dbraw/zinc/83/31/69/790833169.db2.gz BLOITLFBFHAINX-KBPBESRZSA-N 2 0 271.405 -0.247 20 0 CBADRP C[NH+](C)C1CC(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000908011201 790912620 /nfs/dbraw/zinc/91/26/20/790912620.db2.gz COEVPMVXBFWLHK-GVAFYICXSA-N 2 0 255.362 -0.350 20 0 CBADRP Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001021895242 790965288 /nfs/dbraw/zinc/96/52/88/790965288.db2.gz JOBLXINGKZYVOS-NTZNESFSSA-N 2 0 292.387 -0.354 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001021906784 790968832 /nfs/dbraw/zinc/96/88/32/790968832.db2.gz YIASNRMYFQTLLX-WISYIIOYSA-N 2 0 255.362 -0.302 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001022076963 790986119 /nfs/dbraw/zinc/98/61/19/790986119.db2.gz GSIYGAMVCAMHEP-RVMXOQNASA-N 2 0 294.399 -0.417 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001022068044 790986173 /nfs/dbraw/zinc/98/61/73/790986173.db2.gz CUIBSZQGWVKMAL-RVMXOQNASA-N 2 0 296.415 -0.030 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001022104215 790988587 /nfs/dbraw/zinc/98/85/87/790988587.db2.gz YSEJVGDHNKJFRR-OBPIAQAESA-N 2 0 269.389 -0.056 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(N)=O ZINC001022104045 790989397 /nfs/dbraw/zinc/98/93/97/790989397.db2.gz RLFCDRZKYGTHGM-PZWNZHSQSA-N 2 0 282.388 -0.563 20 0 CBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001022119747 790992354 /nfs/dbraw/zinc/99/23/54/790992354.db2.gz HQMVDZHXBSNZFF-QNWHQSFQSA-N 2 0 283.372 -0.921 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001022274164 791002066 /nfs/dbraw/zinc/00/20/66/791002066.db2.gz OBGSLPSMOIWFBX-TXEJJXNPSA-N 2 0 294.399 -0.416 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001022291940 791002828 /nfs/dbraw/zinc/00/28/28/791002828.db2.gz IAOIWVBUCNDQOB-YVECIDJPSA-N 2 0 296.415 -0.029 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001022434468 791012380 /nfs/dbraw/zinc/01/23/80/791012380.db2.gz JCMGRFONJZQEGJ-PHIMTYICSA-N 2 0 287.323 -0.330 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)C(N)=O ZINC001022534434 791021969 /nfs/dbraw/zinc/02/19/69/791021969.db2.gz VEYKLWJFEUETCN-UTUOFQBUSA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001022712759 791040204 /nfs/dbraw/zinc/04/02/04/791040204.db2.gz ZDWGBZMWXGMFFY-NDBYEHHHSA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022717170 791043001 /nfs/dbraw/zinc/04/30/01/791043001.db2.gz RRFGRQKQTAFYMZ-YFKTTZPYSA-N 2 0 255.362 -0.587 20 0 CBADRP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077024662 805672572 /nfs/dbraw/zinc/67/25/72/805672572.db2.gz JZENJJJLFGOBMH-FDYHWXHSSA-N 2 0 269.389 -0.104 20 0 CBADRP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077004259 805671182 /nfs/dbraw/zinc/67/11/82/805671182.db2.gz WCUYXAPYEKDIJA-BFHYXJOUSA-N 2 0 281.400 -0.102 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001077128149 805688267 /nfs/dbraw/zinc/68/82/67/805688267.db2.gz ZFQNRUBRVQSTMW-BFHYXJOUSA-N 2 0 299.415 -0.882 20 0 CBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC001147892085 814924321 /nfs/dbraw/zinc/92/43/21/814924321.db2.gz HWRRGJSIWNHTJF-ZFWWWQNUSA-N 2 0 299.415 -0.303 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCF)C[C@H]2O)CC1 ZINC001077618438 805756844 /nfs/dbraw/zinc/75/68/44/805756844.db2.gz IHRVJVGYTSOALV-CHWSQXEVSA-N 2 0 287.379 -0.151 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001147886279 814924804 /nfs/dbraw/zinc/92/48/04/814924804.db2.gz SWTYZGBPYVCUQR-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CCn2cncn2)C1 ZINC001147893797 814924875 /nfs/dbraw/zinc/92/48/75/814924875.db2.gz UAZLWHBCLNORHI-GFCCVEGCSA-N 2 0 280.376 -0.674 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778302 805780443 /nfs/dbraw/zinc/78/04/43/805780443.db2.gz BUFGANWZWOFFNZ-IACUBPJLSA-N 2 0 299.415 -0.740 20 0 CBADRP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078008572 805823943 /nfs/dbraw/zinc/82/39/43/805823943.db2.gz LLHOPEBMLKXWAO-JHJVBQTASA-N 2 0 269.389 -0.102 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC3CC3)C[C@H]2O)C1 ZINC001078006190 805821543 /nfs/dbraw/zinc/82/15/43/805821543.db2.gz VINQNQMYVNGBEV-MGPQQGTHSA-N 2 0 281.400 -0.101 20 0 CBADRP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011912 805822049 /nfs/dbraw/zinc/82/20/49/805822049.db2.gz NIVYKGSTEPOWMS-VXGBXAGGSA-N 2 0 267.373 -0.348 20 0 CBADRP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078175749 805850197 /nfs/dbraw/zinc/85/01/97/805850197.db2.gz KXHDXVNQUDJTDB-IJLUTSLNSA-N 2 0 255.362 -0.491 20 0 CBADRP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078175740 805849708 /nfs/dbraw/zinc/84/97/08/805849708.db2.gz KPIVKABHVBTLOZ-IJLUTSLNSA-N 2 0 255.362 -0.492 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900522 814925937 /nfs/dbraw/zinc/92/59/37/814925937.db2.gz PEKQVJXFWRVJEC-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CCCC[C@@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001147994533 814927327 /nfs/dbraw/zinc/92/73/27/814927327.db2.gz ITRGNFOTBHUQCR-GFCCVEGCSA-N 2 0 296.415 -0.168 20 0 CBADRP CCN(C(=O)CC[NH+](C)C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001080443657 805983480 /nfs/dbraw/zinc/98/34/80/805983480.db2.gz WOEOTLQPPLKVGP-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001080449509 805985668 /nfs/dbraw/zinc/98/56/68/805985668.db2.gz NQMSWGCTOORJFI-YNEHKIRRSA-N 2 0 269.389 -0.243 20 0 CBADRP CC(C)(C)NC(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147970585 814927705 /nfs/dbraw/zinc/92/77/05/814927705.db2.gz LXXQEWNHBLKEBT-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP CCCCNC(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147976917 814927557 /nfs/dbraw/zinc/92/75/57/814927557.db2.gz FKZBDNLJYZISFB-UHFFFAOYSA-N 2 0 296.415 -0.296 20 0 CBADRP O=C(C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2)NCC1CC1 ZINC001147971227 814927764 /nfs/dbraw/zinc/92/77/64/814927764.db2.gz WYCSDAVJCHHAGD-UHFFFAOYSA-N 2 0 294.399 -0.686 20 0 CBADRP O=C(NCC[NH2+]C[C@@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001147994651 814928603 /nfs/dbraw/zinc/92/86/03/814928603.db2.gz NKSZQCGXZMGLDK-LBPRGKRZSA-N 2 0 267.373 -0.176 20 0 CBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082369836 806170006 /nfs/dbraw/zinc/17/00/06/806170006.db2.gz FFJASMSLRPODMD-YNEHKIRRSA-N 2 0 285.388 -0.864 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCO ZINC001082449920 806178933 /nfs/dbraw/zinc/17/89/33/806178933.db2.gz OTNLYQLBJLPWMX-IJLUTSLNSA-N 2 0 255.362 -0.491 20 0 CBADRP CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466152 806336890 /nfs/dbraw/zinc/33/68/90/806336890.db2.gz IHPDKUGLHVIEOJ-MCIONIFRSA-N 2 0 281.400 -0.101 20 0 CBADRP CC(C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750008 806421642 /nfs/dbraw/zinc/42/16/42/806421642.db2.gz BDZNIJDDQFBXIO-OLZOCXBDSA-N 2 0 269.389 -0.102 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833075 806442060 /nfs/dbraw/zinc/44/20/60/806442060.db2.gz IBQRPIFQBOZGIY-OLZOCXBDSA-N 2 0 269.389 -0.101 20 0 CBADRP COCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083954227 806467462 /nfs/dbraw/zinc/46/74/62/806467462.db2.gz QCVNCCXEYDVSAL-UPJWGTAASA-N 2 0 285.388 -0.864 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCC3CC3)C[C@@H]2O)C1 ZINC001084053568 806480653 /nfs/dbraw/zinc/48/06/53/806480653.db2.gz CBRCKVONMKBQGQ-MJBXVCDLSA-N 2 0 281.400 -0.101 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](CCO)C[C@H]32)C1 ZINC001084662875 806529613 /nfs/dbraw/zinc/52/96/13/806529613.db2.gz AXCJMEXCADNWKY-MGPQQGTHSA-N 2 0 281.400 -0.147 20 0 CBADRP O=C(N1C[C@H]2CC[N@@H+](CCO)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084778141 806536647 /nfs/dbraw/zinc/53/66/47/806536647.db2.gz HJWGWTGYGSJYKI-CHWSQXEVSA-N 2 0 279.384 -0.393 20 0 CBADRP Cc1nccn1CC(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084833841 806537934 /nfs/dbraw/zinc/53/79/34/806537934.db2.gz YPVBIAIPHIXGFV-CHWSQXEVSA-N 2 0 278.356 -0.283 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CCO)[C@H]2C1 ZINC001084905729 806541780 /nfs/dbraw/zinc/54/17/80/806541780.db2.gz KNXIXCZULOHCNE-MCIONIFRSA-N 2 0 281.400 -0.004 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CCO)[C@H]3C2)C1 ZINC001085093260 806546512 /nfs/dbraw/zinc/54/65/12/806546512.db2.gz PFUFGNCFYMEQBA-RDBSUJKOSA-N 2 0 281.400 -0.147 20 0 CBADRP CN(C[C@H]1CC[N@@H+]1CCCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085973518 806629138 /nfs/dbraw/zinc/62/91/38/806629138.db2.gz YXDHLQBMIONSPX-QWHCGFSZSA-N 2 0 269.389 -0.147 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001022973534 798869920 /nfs/dbraw/zinc/86/99/20/798869920.db2.gz OBJMAIPRRJPRPR-RVMXOQNASA-N 2 0 294.399 -0.547 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001022976639 798870186 /nfs/dbraw/zinc/87/01/86/798870186.db2.gz CMZLSADQFOBLER-RVMXOQNASA-N 2 0 296.415 -0.171 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001022981322 798872321 /nfs/dbraw/zinc/87/23/21/798872321.db2.gz JZFDKJQYFRSOCW-GRYCIOLGSA-N 2 0 294.399 -0.417 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001022981319 798872368 /nfs/dbraw/zinc/87/23/68/798872368.db2.gz JVHMGBWKDJEMIR-UTUOFQBUSA-N 2 0 267.373 -0.300 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023086449 798879439 /nfs/dbraw/zinc/87/94/39/798879439.db2.gz MEJJGVAIJFVQHX-KKOKHZNYSA-N 2 0 255.362 -0.444 20 0 CBADRP CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1=O ZINC001023086872 798879635 /nfs/dbraw/zinc/87/96/35/798879635.db2.gz ZVURNLRDAYIRSJ-NDBYEHHHSA-N 2 0 294.399 -0.594 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001023084066 798880023 /nfs/dbraw/zinc/88/00/23/798880023.db2.gz HUNMOOBDDCHNLQ-RWMBFGLXSA-N 2 0 294.399 -0.593 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001023083932 798880130 /nfs/dbraw/zinc/88/01/30/798880130.db2.gz DPZISFOFMXPMKM-WUHRBBMRSA-N 2 0 294.399 -0.547 20 0 CBADRP Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023084812 798880214 /nfs/dbraw/zinc/88/02/14/798880214.db2.gz ZWGPICJHQJUIDR-UTUOFQBUSA-N 2 0 292.387 -0.496 20 0 CBADRP CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001023090449 798882071 /nfs/dbraw/zinc/88/20/71/798882071.db2.gz PRWNCXQTLZQFMV-XQQFMLRXSA-N 2 0 294.399 -0.450 20 0 CBADRP Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)[nH]1 ZINC001023088662 798882107 /nfs/dbraw/zinc/88/21/07/798882107.db2.gz BRCHKLUUABWCIS-TXEJJXNPSA-N 2 0 292.387 -0.054 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001023131010 798885834 /nfs/dbraw/zinc/88/58/34/798885834.db2.gz SUAAEHKRKUYAQA-GRYCIOLGSA-N 2 0 282.388 -0.417 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001025707993 798971439 /nfs/dbraw/zinc/97/14/39/798971439.db2.gz IBCZPPDLIUJKAD-MLGHIDQZSA-N 2 0 294.399 -0.609 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC001025781594 798975092 /nfs/dbraw/zinc/97/50/92/798975092.db2.gz KUQQYRNMEUMMPU-ZSAUSMIDSA-N 2 0 293.411 -0.101 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001026043505 798987192 /nfs/dbraw/zinc/98/71/92/798987192.db2.gz FXQFLAHNZDWFFF-NTASLKFISA-N 2 0 281.400 -0.245 20 0 CBADRP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001026044227 798987533 /nfs/dbraw/zinc/98/75/33/798987533.db2.gz MBJXVMGBKSBLJX-MEBFFEOJSA-N 2 0 281.400 -0.123 20 0 CBADRP C[C@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001026040829 798987812 /nfs/dbraw/zinc/98/78/12/798987812.db2.gz IMOWJWRTYBPPDK-SVPLCASGSA-N 2 0 294.399 -0.609 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001026145829 798991780 /nfs/dbraw/zinc/99/17/80/798991780.db2.gz OCHNKNBVPZUHJJ-FHUSYTEZSA-N 2 0 267.373 -0.635 20 0 CBADRP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001026145891 798993597 /nfs/dbraw/zinc/99/35/97/798993597.db2.gz VKQJEULRYFUBRC-JZRPKSSGSA-N 2 0 294.399 -0.881 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001026145831 798993706 /nfs/dbraw/zinc/99/37/06/798993706.db2.gz OCHNKNBVPZUHJJ-KVSVUVNWSA-N 2 0 267.373 -0.635 20 0 CBADRP C[C@@H]([NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1)C(N)=O ZINC001026605845 799011642 /nfs/dbraw/zinc/01/16/42/799011642.db2.gz FYOKKWNSCMDOGS-PNESKVBLSA-N 2 0 296.415 -0.027 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CCC([NH2+]CC(N)=O)CC2)C1 ZINC001026592437 799011743 /nfs/dbraw/zinc/01/17/43/799011743.db2.gz ASFCWWCAQFUVIG-HIFPTAJRSA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cnon3)C2)C1 ZINC001027216869 799033569 /nfs/dbraw/zinc/03/35/69/799033569.db2.gz YNWOBYISTSALSW-NWDGAFQWSA-N 2 0 293.371 -0.041 20 0 CBADRP CN(C)C(=O)CN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001028313940 799121409 /nfs/dbraw/zinc/12/14/09/799121409.db2.gz DERWWKQLVPSGRG-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001028447249 799137811 /nfs/dbraw/zinc/13/78/11/799137811.db2.gz NZGKEAXNPBIPHA-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP O=C(NC[C@H]1CC[N@@H+](CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001028539384 799150577 /nfs/dbraw/zinc/15/05/77/799150577.db2.gz VNHZLXLPNRLBSC-OCCSQVGLSA-N 2 0 281.400 -0.241 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001028553038 799151412 /nfs/dbraw/zinc/15/14/12/799151412.db2.gz ZFCITQMXJWFVRG-FRRDWIJNSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028933737 799181500 /nfs/dbraw/zinc/18/15/00/799181500.db2.gz SRJPAGBBZMPPAC-QWHCGFSZSA-N 2 0 281.400 -0.099 20 0 CBADRP O=C(NC[C@H]1CC[N@@H+](CCO)C1)[C@@]12CC[NH+](C1)CCC2 ZINC001028956234 799181583 /nfs/dbraw/zinc/18/15/83/799181583.db2.gz AREUABPZYVUADO-HIFRSBDPSA-N 2 0 281.400 -0.097 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028933735 799181631 /nfs/dbraw/zinc/18/16/31/799181631.db2.gz SRJPAGBBZMPPAC-CHWSQXEVSA-N 2 0 281.400 -0.099 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028986146 799183844 /nfs/dbraw/zinc/18/38/44/799183844.db2.gz PVRLRXNTBCCEIR-OLZOCXBDSA-N 2 0 296.415 -0.536 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCO ZINC001029474747 799200559 /nfs/dbraw/zinc/20/05/59/799200559.db2.gz IATCDMFPDLSSHI-MQYQWHSLSA-N 2 0 281.400 -0.148 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001030020133 799211055 /nfs/dbraw/zinc/21/10/55/799211055.db2.gz ZVMHWDAPSPBQDS-YNEHKIRRSA-N 2 0 294.399 -0.450 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001030020132 799211473 /nfs/dbraw/zinc/21/14/73/799211473.db2.gz ZVMHWDAPSPBQDS-RWMBFGLXSA-N 2 0 294.399 -0.450 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC001030019447 799211797 /nfs/dbraw/zinc/21/17/97/799211797.db2.gz FKHMPERYHUUPLC-GRYCIOLGSA-N 2 0 284.404 -0.219 20 0 CBADRP CN1CCO[C@H](C(=O)NC2CN(CC[C@@H]3CCOC3)C2)C1 ZINC001030185103 799260937 /nfs/dbraw/zinc/26/09/37/799260937.db2.gz ZMHHMLCQTRKGOJ-OCCSQVGLSA-N 2 0 297.399 -0.456 20 0 CBADRP O=C(NCC1C[NH+](CCO)C1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001031669641 799530363 /nfs/dbraw/zinc/53/03/63/799530363.db2.gz PUPTZKFESMMGAT-UONOGXRCSA-N 2 0 281.400 -0.099 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CCCO)C2)CC[N@@H+]1C ZINC001031681283 799532281 /nfs/dbraw/zinc/53/22/81/799532281.db2.gz LQHZHASFYORFIL-DGCLKSJQSA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@H](O)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001031776319 799542738 /nfs/dbraw/zinc/54/27/38/799542738.db2.gz IBIFDRPQQJTAOS-WCQYABFASA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001031776320 799542807 /nfs/dbraw/zinc/54/28/07/799542807.db2.gz IBIFDRPQQJTAOS-YPMHNXCESA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](CCO)C2)CC[N@@H+]1C ZINC001031925421 799563043 /nfs/dbraw/zinc/56/30/43/799563043.db2.gz IBKJSVTWQXDZLR-AAEUAGOBSA-N 2 0 269.389 -0.243 20 0 CBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCCO)C2)C1 ZINC001031923321 799563244 /nfs/dbraw/zinc/56/32/44/799563244.db2.gz ZIAOUHVZJPJUII-CQSZACIVSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCCO)C1 ZINC001031977169 799567750 /nfs/dbraw/zinc/56/77/50/799567750.db2.gz XSYBWLUACGOJAI-DGCLKSJQSA-N 2 0 269.389 -0.386 20 0 CBADRP COCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032185598 799590347 /nfs/dbraw/zinc/59/03/47/799590347.db2.gz AGOIAQMPHVJDOC-GFCCVEGCSA-N 2 0 255.362 -0.368 20 0 CBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032405657 799623930 /nfs/dbraw/zinc/62/39/30/799623930.db2.gz NBUIBUAYEPTVPC-SOUVJXGZSA-N 2 0 293.411 -0.004 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032603077 799648151 /nfs/dbraw/zinc/64/81/51/799648151.db2.gz NWDLQPUOAARJGF-UBHSHLNASA-N 2 0 281.400 -0.006 20 0 CBADRP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)CC1 ZINC001032665092 799652704 /nfs/dbraw/zinc/65/27/04/799652704.db2.gz HCEOTJPYPOMVHY-KBPBESRZSA-N 2 0 281.400 -0.004 20 0 CBADRP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CCCO)C12CC[NH+](CC1)C2 ZINC001032734172 799662335 /nfs/dbraw/zinc/66/23/35/799662335.db2.gz ZSYCJIPHAIIMRZ-STQMWFEESA-N 2 0 279.384 -0.250 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032828609 799673638 /nfs/dbraw/zinc/67/36/38/799673638.db2.gz XSEUILGLQGLRLC-SDDRHHMPSA-N 2 0 255.362 -0.348 20 0 CBADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCO)C1 ZINC001032959109 799696974 /nfs/dbraw/zinc/69/69/74/799696974.db2.gz CZJBMTMLEJKZSJ-VXGBXAGGSA-N 2 0 255.362 -0.394 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](CCO)C2)C1 ZINC001033416308 799752846 /nfs/dbraw/zinc/75/28/46/799752846.db2.gz OZEBGCQVXYOYFV-CHWSQXEVSA-N 2 0 269.389 -0.147 20 0 CBADRP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033595740 799770246 /nfs/dbraw/zinc/77/02/46/799770246.db2.gz UWFVGKSDVNHVIM-CHWSQXEVSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001034606925 799848077 /nfs/dbraw/zinc/84/80/77/799848077.db2.gz IBCUXNKNAJUYAF-FDYHWXHSSA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)CC[N@@H+]1C ZINC001034647531 799850459 /nfs/dbraw/zinc/85/04/59/799850459.db2.gz KGUKODACOOORKA-FDYHWXHSSA-N 2 0 296.415 -0.171 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001034971882 799863376 /nfs/dbraw/zinc/86/33/76/799863376.db2.gz XVPLHOFMRATVDP-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP CN1CCO[C@H](C(=O)NC[C@H]2C[N@H+](CC3CC3)CCO2)C1 ZINC001035325839 799892136 /nfs/dbraw/zinc/89/21/36/799892136.db2.gz DCAQCQXFVQNNMN-KBPBESRZSA-N 2 0 297.399 -0.456 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC2(C[NH+](CCO)C2)CC1 ZINC001035851567 799965099 /nfs/dbraw/zinc/96/50/99/799965099.db2.gz REGGPTWZMHBDPK-UHFFFAOYSA-N 2 0 281.400 -0.001 20 0 CBADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036054480 799975171 /nfs/dbraw/zinc/97/51/71/799975171.db2.gz KUOUTRNZUHQEPI-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036054478 799975392 /nfs/dbraw/zinc/97/53/92/799975392.db2.gz KUOUTRNZUHQEPI-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1[NH2+]CC(N)=O ZINC001036264524 799985481 /nfs/dbraw/zinc/98/54/81/799985481.db2.gz ITMINGQWWSZFMC-VXGBXAGGSA-N 2 0 294.399 -0.606 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001036895654 800012540 /nfs/dbraw/zinc/01/25/40/800012540.db2.gz BQTITVNNEZFWHK-ZIAGYGMSSA-N 2 0 281.400 -0.003 20 0 CBADRP CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](CC(N)=O)C2)C1)[NH+](C)C ZINC001041402039 801394750 /nfs/dbraw/zinc/39/47/50/801394750.db2.gz FNBPWKGCHPOEPS-DOMZBBRYSA-N 2 0 296.415 -0.264 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CCO)C1 ZINC001046197860 801738538 /nfs/dbraw/zinc/73/85/38/801738538.db2.gz RSRBTTDPVHIQEZ-YPMHNXCESA-N 2 0 255.362 -0.347 20 0 CBADRP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001047324277 801834681 /nfs/dbraw/zinc/83/46/81/801834681.db2.gz MRJWMSKYVXKBLS-SRVKXCTJSA-N 2 0 255.362 -0.396 20 0 CBADRP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001047383749 801857841 /nfs/dbraw/zinc/85/78/41/801857841.db2.gz ORPZMHDABRUMRM-IHRRRGAJSA-N 2 0 281.400 -0.148 20 0 CBADRP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047384843 801859303 /nfs/dbraw/zinc/85/93/03/801859303.db2.gz JUAIHESFXAECEY-NDBYEHHHSA-N 2 0 269.389 -0.150 20 0 CBADRP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001047528445 801895013 /nfs/dbraw/zinc/89/50/13/801895013.db2.gz RFAXKTCQYPIQSE-IHRRRGAJSA-N 2 0 299.415 -0.522 20 0 CBADRP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001047597809 801908551 /nfs/dbraw/zinc/90/85/51/801908551.db2.gz GIFNQGVBPAILRV-AVGNSLFASA-N 2 0 269.389 -0.148 20 0 CBADRP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598723 801909445 /nfs/dbraw/zinc/90/94/45/801909445.db2.gz SWKRVTIFPZJWFU-RYUDHWBXSA-N 2 0 267.373 -0.394 20 0 CBADRP COC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047627088 801913787 /nfs/dbraw/zinc/91/37/87/801913787.db2.gz JNZMSZCZYATGIE-RDBSUJKOSA-N 2 0 299.415 -0.379 20 0 CBADRP CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001047628606 801915614 /nfs/dbraw/zinc/91/56/14/801915614.db2.gz HLKRSKWHXASOPW-AVGNSLFASA-N 2 0 269.389 -0.148 20 0 CBADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001047627694 801916088 /nfs/dbraw/zinc/91/60/88/801916088.db2.gz URBXAXQYQGMUIW-KBPBESRZSA-N 2 0 281.400 -0.004 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1 ZINC001048896982 801978727 /nfs/dbraw/zinc/97/87/27/801978727.db2.gz MISOAZLVNHXRRL-HZSPNIEDSA-N 2 0 281.400 -0.147 20 0 CBADRP C[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049212595 802006729 /nfs/dbraw/zinc/00/67/29/802006729.db2.gz CLBXVPKQTLGLDD-ZDEQEGDKSA-N 2 0 294.399 -0.798 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001050204431 802058195 /nfs/dbraw/zinc/05/81/95/802058195.db2.gz ZGYVOBVOLCSSIQ-UONOGXRCSA-N 2 0 281.400 -0.003 20 0 CBADRP CC[NH2+]C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCO1 ZINC001051887875 802171144 /nfs/dbraw/zinc/17/11/44/802171144.db2.gz KNWQIUSZJYSQLL-AWEZNQCLSA-N 2 0 299.415 -0.066 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001052248873 802188177 /nfs/dbraw/zinc/18/81/77/802188177.db2.gz BBJABZOKKCNAIV-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC(N)=O)CC1 ZINC001052498402 802201263 /nfs/dbraw/zinc/20/12/63/802201263.db2.gz HICXXGXHEFVCIF-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052932802 802224588 /nfs/dbraw/zinc/22/45/88/802224588.db2.gz SEZZTKACKSFVGF-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052934313 802224766 /nfs/dbraw/zinc/22/47/66/802224766.db2.gz IYANZOXPQSOXHS-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001054296514 802330089 /nfs/dbraw/zinc/33/00/89/802330089.db2.gz YZCCFHXONFNJEC-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1[NH2+]CC(N)=O ZINC001054853315 802375659 /nfs/dbraw/zinc/37/56/59/802375659.db2.gz FZOLIVDNKOLGLW-RYUDHWBXSA-N 2 0 294.399 -0.463 20 0 CBADRP CNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148216060 814934801 /nfs/dbraw/zinc/93/48/01/814934801.db2.gz LBWQOLKELYIJQD-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP NC(=O)CC[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC001119683161 812866117 /nfs/dbraw/zinc/86/61/17/812866117.db2.gz ZHDPIWYIQGKGIX-BJDJZHNGSA-N 2 0 255.362 -0.186 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001120243932 812941224 /nfs/dbraw/zinc/94/12/24/812941224.db2.gz IJSYSCUQAUJRNC-JSGCOSHPSA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH+](C)CCNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001121935722 813091544 /nfs/dbraw/zinc/09/15/44/813091544.db2.gz BINNCXSRMQXOFH-LBPRGKRZSA-N 2 0 254.334 -0.437 20 0 CBADRP CC1([NH3+])CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001121933358 813092474 /nfs/dbraw/zinc/09/24/74/813092474.db2.gz PSACAARQROMUAK-NSHDSACASA-N 2 0 282.388 -0.477 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001122021796 813105128 /nfs/dbraw/zinc/10/51/28/813105128.db2.gz ANAHFCXURPPPAJ-SFTQSGBHSA-N 2 0 267.373 -0.144 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001122017180 813105423 /nfs/dbraw/zinc/10/54/23/813105423.db2.gz HLAZXMOESQJUAO-WZRBSPASSA-N 2 0 255.362 -0.273 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC001122101009 813117593 /nfs/dbraw/zinc/11/75/93/813117593.db2.gz UXPWGYWYTIVYIT-NEPJUHHUSA-N 2 0 254.378 -0.380 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001122126629 813121232 /nfs/dbraw/zinc/12/12/32/813121232.db2.gz JJNXJDFSNMXGKA-FVCCEPFGSA-N 2 0 266.389 -0.287 20 0 CBADRP O=C(N1CCC[C@@H]([NH2+]CCO)C1)[C@@]1(F)CC[NH2+]C1 ZINC001122173746 813127901 /nfs/dbraw/zinc/12/79/01/813127901.db2.gz LJWFEZNXNUGNBD-ZYHUDNBSSA-N 2 0 259.325 -0.739 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001122174847 813128279 /nfs/dbraw/zinc/12/82/79/813128279.db2.gz ITFRPBXDUYIIGU-TUAOUCFPSA-N 2 0 257.378 -0.067 20 0 CBADRP CCN(C(=O)[C@@H]1CCCN(CC[NH3+])C1=O)[C@@H]1CCC[NH2+]C1 ZINC001122608937 813180655 /nfs/dbraw/zinc/18/06/55/813180655.db2.gz OGPRRQBCJUPJGE-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP CCN(C(=O)[C@@H]1CCCN(CC[NH3+])C1=O)[C@H]1CCC[NH2+]C1 ZINC001122608940 813180727 /nfs/dbraw/zinc/18/07/27/813180727.db2.gz OGPRRQBCJUPJGE-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129328161 813837702 /nfs/dbraw/zinc/83/77/02/813837702.db2.gz MFXDGONJKPNDBG-QWHCGFSZSA-N 2 0 298.431 -0.195 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001129341808 813838261 /nfs/dbraw/zinc/83/82/61/813838261.db2.gz ZQMUBAHYZPVPAB-STQMWFEESA-N 2 0 296.415 -0.441 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294290 814237317 /nfs/dbraw/zinc/23/73/17/814237317.db2.gz BGHBMLLVWSNNBD-UHFFFAOYSA-N 2 0 268.365 -0.545 20 0 CBADRP CCC(CC)NC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133290830 814237338 /nfs/dbraw/zinc/23/73/38/814237338.db2.gz FDBWTMIJIOBIHM-UHFFFAOYSA-N 2 0 286.420 -0.051 20 0 CBADRP CCCCNC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294419 814238268 /nfs/dbraw/zinc/23/82/68/814238268.db2.gz IEMJZGCHSZGSOQ-UHFFFAOYSA-N 2 0 272.393 -0.440 20 0 CBADRP CCC(C)(C)NC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294529 814238475 /nfs/dbraw/zinc/23/84/75/814238475.db2.gz MIGMZIJHIKGANN-UHFFFAOYSA-N 2 0 286.420 -0.051 20 0 CBADRP CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133291296 814238497 /nfs/dbraw/zinc/23/84/97/814238497.db2.gz OIQIUYAFPXZOAM-ZDUSSCGKSA-N 2 0 289.420 -0.323 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(C)(C)C)[NH+](C)C ZINC001133982975 814332788 /nfs/dbraw/zinc/33/27/88/814332788.db2.gz RLVFMVHZVVNGTA-NSHDSACASA-N 2 0 286.420 -0.053 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001133982743 814333179 /nfs/dbraw/zinc/33/31/79/814333179.db2.gz KINRARVHUHRCCP-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]Cc1cnnn1CC)[NH+](C)C ZINC001133982685 814333248 /nfs/dbraw/zinc/33/32/48/814333248.db2.gz HTFSKKFYCRFAHF-LBPRGKRZSA-N 2 0 282.392 -0.156 20 0 CBADRP CN(CC(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2)C(N)=[NH2+] ZINC001144130058 814773243 /nfs/dbraw/zinc/77/32/43/814773243.db2.gz IOIUZTDUZKRESY-UHFFFAOYSA-N 2 0 279.388 -0.244 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148360402 814939535 /nfs/dbraw/zinc/93/95/35/814939535.db2.gz SOEUCIFKWNOHIZ-UHFFFAOYSA-N 2 0 286.420 -0.050 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148359770 814940001 /nfs/dbraw/zinc/94/00/01/814940001.db2.gz CMYIDAGHNPYMRL-GFCCVEGCSA-N 2 0 275.393 -0.569 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148365215 814941456 /nfs/dbraw/zinc/94/14/56/814941456.db2.gz LEJVBRGDUKZBJT-NSHDSACASA-N 2 0 272.393 -0.441 20 0 CBADRP C[NH+](C)CCCCC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001148360649 814941929 /nfs/dbraw/zinc/94/19/29/814941929.db2.gz ZECZHNLUWBMVRH-LLVKDONJSA-N 2 0 298.387 -0.771 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]C[C@H](O)COC ZINC001148571094 814951110 /nfs/dbraw/zinc/95/11/10/814951110.db2.gz VXBRIRDJEGTFLM-LBPRGKRZSA-N 2 0 275.393 -0.569 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001148638823 814953942 /nfs/dbraw/zinc/95/39/42/814953942.db2.gz TXQNVUYEUBRIOJ-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001148638057 814954773 /nfs/dbraw/zinc/95/47/73/814954773.db2.gz ADMROIDXLGXLQU-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001148655007 814956438 /nfs/dbraw/zinc/95/64/38/814956438.db2.gz FFXNAWQKFMSUOH-ZDUSSCGKSA-N 2 0 297.403 -0.708 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001148654802 814956576 /nfs/dbraw/zinc/95/65/76/814956576.db2.gz AUNZLXTWAFMDIJ-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](C[NH2+]CCCO)NC(=O)COC1CC[NH+](C)CC1 ZINC001322033351 803854028 /nfs/dbraw/zinc/85/40/28/803854028.db2.gz URSACJAJNIMVMW-LBPRGKRZSA-N 2 0 287.404 -0.426 20 0 CBADRP C[C@@H](C[N@H+](C)CCOCCO)NC(=O)[C@@H]1CCC[NH+]1C ZINC001322131286 803866053 /nfs/dbraw/zinc/86/60/53/803866053.db2.gz XGFMCNMAOKUQCM-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP CN(C)C(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001322442570 803897297 /nfs/dbraw/zinc/89/72/97/803897297.db2.gz MTLSZTNUMYDXLW-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001322684847 803928355 /nfs/dbraw/zinc/92/83/55/803928355.db2.gz CPWHOLGESAYNNF-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](CCCC[N@@H+](C)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC001323168360 803982823 /nfs/dbraw/zinc/98/28/23/803982823.db2.gz HHNWFUOFWNNGBP-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CCO ZINC001324249759 804125521 /nfs/dbraw/zinc/12/55/21/804125521.db2.gz BUAAETOMIWZLQS-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC001325380790 804281564 /nfs/dbraw/zinc/28/15/64/804281564.db2.gz PJASOYKVKFFZBP-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC001325390045 804283048 /nfs/dbraw/zinc/28/30/48/804283048.db2.gz ARAFZBDXDCUPIJ-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC001325395116 804284475 /nfs/dbraw/zinc/28/44/75/804284475.db2.gz XKAMKXGODRDDQU-YNEHKIRRSA-N 2 0 296.415 -0.156 20 0 CBADRP COCC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001325759974 804313101 /nfs/dbraw/zinc/31/31/01/804313101.db2.gz BNUXCVBVVAGPOQ-BETUJISGSA-N 2 0 269.389 -0.025 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@@H]2C[N@H+](CCO)CCCO2)CCC1 ZINC001149841918 815011331 /nfs/dbraw/zinc/01/13/31/815011331.db2.gz MNBPHWUCGPJVNI-CYBMUJFWSA-N 2 0 299.415 -0.330 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241555 815022108 /nfs/dbraw/zinc/02/21/08/815022108.db2.gz PXVKVFPSFYTLQK-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001151048667 815051396 /nfs/dbraw/zinc/05/13/96/815051396.db2.gz CXBYADWRLLLXSQ-GFCCVEGCSA-N 2 0 282.388 -0.830 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC2CCC2)C1 ZINC001151048617 815052977 /nfs/dbraw/zinc/05/29/77/815052977.db2.gz CSLOBMBYXJCUMT-ZDUSSCGKSA-N 2 0 296.415 -0.440 20 0 CBADRP CN1CCC[C@@H]([NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001151055993 815054029 /nfs/dbraw/zinc/05/40/29/815054029.db2.gz JTBPRGYJUWFOCC-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001151064979 815054201 /nfs/dbraw/zinc/05/42/01/815054201.db2.gz GLDGPJIOPKRQGB-WCQYABFASA-N 2 0 296.415 -0.441 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049710 815055613 /nfs/dbraw/zinc/05/56/13/815055613.db2.gz WXLYHQSEVWUSPP-LLVKDONJSA-N 2 0 270.377 -0.878 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@@H]2CCOC2)C1 ZINC001151065845 815056133 /nfs/dbraw/zinc/05/61/33/815056133.db2.gz NPYDRZXNBYEXGR-RYUDHWBXSA-N 2 0 255.362 -0.320 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151073058 815056231 /nfs/dbraw/zinc/05/62/31/815056231.db2.gz FLOXZFMYCDHRLO-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP CCC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151065648 815056673 /nfs/dbraw/zinc/05/66/73/815056673.db2.gz LUVMBIZMXCWEGO-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CCC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151065647 815057316 /nfs/dbraw/zinc/05/73/16/815057316.db2.gz LUVMBIZMXCWEGO-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC(C)(C)C)C1 ZINC001151065929 815057423 /nfs/dbraw/zinc/05/74/23/815057423.db2.gz OFZVZUYNVAFATN-LBPRGKRZSA-N 2 0 298.431 -0.194 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001151073458 815057601 /nfs/dbraw/zinc/05/76/01/815057601.db2.gz LPLDORUUFRXPHB-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP Cc1ncc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001151065175 815057795 /nfs/dbraw/zinc/05/77/95/815057795.db2.gz HXHVDMAIAUYSAV-CYBMUJFWSA-N 2 0 277.372 -0.057 20 0 CBADRP CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151074064 815058622 /nfs/dbraw/zinc/05/86/22/815058622.db2.gz UPBDTOKNANHQHB-QWHCGFSZSA-N 2 0 298.431 -0.195 20 0 CBADRP Cc1nc(C)n(CC[NH2+]CCNC(=O)C[NH+]2CCCC2)n1 ZINC001151097767 815060244 /nfs/dbraw/zinc/06/02/44/815060244.db2.gz RSOPOKBRCUGEKA-UHFFFAOYSA-N 2 0 294.403 -0.303 20 0 CBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151098071 815060979 /nfs/dbraw/zinc/06/09/79/815060979.db2.gz UCRKRFHXVTVNQZ-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CC(C)NC(=O)NCC[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151101853 815061373 /nfs/dbraw/zinc/06/13/73/815061373.db2.gz YOINFZVBLFXNPH-UHFFFAOYSA-N 2 0 299.419 -0.504 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001151101600 815061414 /nfs/dbraw/zinc/06/14/14/815061414.db2.gz UTBSSOUWNCMDTO-NSHDSACASA-N 2 0 268.361 -0.981 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151114497 815061573 /nfs/dbraw/zinc/06/15/73/815061573.db2.gz OJRXKHDSIXZKJN-UHFFFAOYSA-N 2 0 270.377 -0.734 20 0 CBADRP CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151106533 815061665 /nfs/dbraw/zinc/06/16/65/815061665.db2.gz BBTCWMLGBZJXCB-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151107102 815061798 /nfs/dbraw/zinc/06/17/98/815061798.db2.gz RSGHAVWSRWOVQO-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[C@H](C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(N)=O)C2)[NH+](C)C ZINC001072850937 805340735 /nfs/dbraw/zinc/34/07/35/805340735.db2.gz FCVWBBNNKUUBNJ-NWDGAFQWSA-N 2 0 296.415 -0.265 20 0 CBADRP CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(N)=O)C2)[NH+](C)C ZINC001072989105 805352611 /nfs/dbraw/zinc/35/26/11/805352611.db2.gz FCVWBBNNKUUBNJ-NEPJUHHUSA-N 2 0 296.415 -0.265 20 0 CBADRP CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCO)C2)[NH+](C)C ZINC001072989673 805353388 /nfs/dbraw/zinc/35/33/88/805353388.db2.gz LULPSSQHSNTHMR-LBPRGKRZSA-N 2 0 269.389 -0.147 20 0 CBADRP O=C(N1CC2(C1)CC[N@@H+](CCO)C2)[C@@]12CC[NH+](C1)CCC2 ZINC001073154359 805363143 /nfs/dbraw/zinc/36/31/43/805363143.db2.gz UZENRKIBWSQSEW-INIZCTEOSA-N 2 0 293.411 -0.001 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001073430382 805370100 /nfs/dbraw/zinc/37/01/00/805370100.db2.gz DRYUJUVKWDSYIL-UHFFFAOYSA-N 2 0 281.400 -0.001 20 0 CBADRP C[C@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001073426154 805370763 /nfs/dbraw/zinc/37/07/63/805370763.db2.gz RYPIFXNTSVSDRA-QWHCGFSZSA-N 2 0 281.400 -0.147 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCCO1 ZINC001073661663 805404798 /nfs/dbraw/zinc/40/47/98/805404798.db2.gz BLSNOCINWVQCAG-ZIAGYGMSSA-N 2 0 299.415 -0.330 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361516 815072919 /nfs/dbraw/zinc/07/29/19/815072919.db2.gz KHRAPSNMTRCFKT-UHFFFAOYSA-N 2 0 270.377 -0.556 20 0 CBADRP COCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073890999 805421053 /nfs/dbraw/zinc/42/10/53/805421053.db2.gz KONUZPITDFCUSK-ZIAGYGMSSA-N 2 0 299.415 -0.208 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@@H]2C)CC[N@@H+]1C ZINC001074661859 805464253 /nfs/dbraw/zinc/46/42/53/805464253.db2.gz OREARHONMBKIIT-KXNHARMFSA-N 2 0 282.388 -0.609 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001074832478 805474619 /nfs/dbraw/zinc/47/46/19/805474619.db2.gz SMFHXRAAVHXYTA-CYDGBPFRSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001074877477 805475799 /nfs/dbraw/zinc/47/57/99/805475799.db2.gz CDPRDGGMUKKALH-SRVKXCTJSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]CC(N)=O ZINC001152149648 815107880 /nfs/dbraw/zinc/10/78/80/815107880.db2.gz ZZWPMKMVFSUSEK-NXEZZACHSA-N 2 0 256.350 -0.950 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152222807 815111237 /nfs/dbraw/zinc/11/12/37/815111237.db2.gz CBESLRQJHSOZPG-CYBMUJFWSA-N 2 0 287.404 -0.425 20 0 CBADRP O=C(CC[NH+]1CCCCC1)NCC[NH2+][C@@H]1CCNC1=O ZINC001152339832 815116371 /nfs/dbraw/zinc/11/63/71/815116371.db2.gz CHOWPHVLPPMTDR-GFCCVEGCSA-N 2 0 282.388 -0.543 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)c1ccccc1C[NH+](C)C)C(N)=O ZINC001152384647 815118798 /nfs/dbraw/zinc/11/87/98/815118798.db2.gz VVXWOWDAKNAZQE-LLVKDONJSA-N 2 0 292.383 -0.059 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001152433264 815121545 /nfs/dbraw/zinc/12/15/45/815121545.db2.gz ZYUGQSYHYIOSGY-NSHDSACASA-N 2 0 272.393 -0.491 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001152439920 815121842 /nfs/dbraw/zinc/12/18/42/815121842.db2.gz VJYXHNRWGKDRQH-UHFFFAOYSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COC ZINC001152452045 815122318 /nfs/dbraw/zinc/12/23/18/815122318.db2.gz QUZQOYLQATYMJR-CHWSQXEVSA-N 2 0 287.404 -0.426 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC ZINC001152446254 815123311 /nfs/dbraw/zinc/12/33/11/815123311.db2.gz VQNDXXABUVBEMH-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCCO ZINC001152458615 815124154 /nfs/dbraw/zinc/12/41/54/815124154.db2.gz RRLNPLALJRSKPJ-GFCCVEGCSA-N 2 0 257.378 -0.051 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001152480355 815124291 /nfs/dbraw/zinc/12/42/91/815124291.db2.gz RGPHDHDRJQTDPZ-CQSZACIVSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152480592 815124421 /nfs/dbraw/zinc/12/44/21/815124421.db2.gz XMXVZTKZUICBIC-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001152471284 815124797 /nfs/dbraw/zinc/12/47/97/815124797.db2.gz KKFLIJZUUASKQR-LBPRGKRZSA-N 2 0 270.377 -0.702 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cnc2ccnn2c1 ZINC001153059148 815147614 /nfs/dbraw/zinc/14/76/14/815147614.db2.gz URXUDVFVLZLUHA-UHFFFAOYSA-N 2 0 275.316 -0.196 20 0 CBADRP O=C(CCCC[NH+]1CCCC1)NCC[NH2+][C@@H]1CCNC1=O ZINC001153314275 815157080 /nfs/dbraw/zinc/15/70/80/815157080.db2.gz HHYHZLUYQXSOLV-CYBMUJFWSA-N 2 0 296.415 -0.153 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cc2n(n1)CCO2 ZINC001153889714 815186594 /nfs/dbraw/zinc/18/65/94/815186594.db2.gz QKLGIWYCYOQEOI-UHFFFAOYSA-N 2 0 266.305 -0.650 20 0 CBADRP CCN(CC(=O)NC)[C@H](C)CNC(=O)CCn1ccnc1 ZINC001154528809 815224332 /nfs/dbraw/zinc/22/43/32/815224332.db2.gz KBNMSVSNINBTJL-GFCCVEGCSA-N 2 0 295.387 -0.154 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1c1ncnc2c1CC[NH2+]C2 ZINC001154970962 815255556 /nfs/dbraw/zinc/25/55/56/815255556.db2.gz ZGTSYUDYQUVRNT-LLVKDONJSA-N 2 0 277.372 -0.111 20 0 CBADRP CCOC(=O)c1c(C[NH3+])ncn1-c1ncnc2c1C[NH2+]C2 ZINC001155078142 815261246 /nfs/dbraw/zinc/26/12/46/815261246.db2.gz KLRFDDAPBAQGGL-UHFFFAOYSA-N 2 0 288.311 -0.099 20 0 CBADRP [NH3+]CC1CN([C@H]2CCCN(c3ncc4c(n3)C[NH2+]C4)C2)C1 ZINC001155372823 815279735 /nfs/dbraw/zinc/27/97/35/815279735.db2.gz KWMAXRWMZIXYEB-ZDUSSCGKSA-N 2 0 288.399 -0.061 20 0 CBADRP c1c(NC[C@]23C[NH2+]C[C@H]2COC3)nnc2c1C[NH2+]CC2 ZINC001155515849 815290014 /nfs/dbraw/zinc/29/00/14/815290014.db2.gz LMWXSPZTOSAZOW-FZMZJTMJSA-N 2 0 275.356 -0.230 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc3c(n2)CC[NH2+]C3)N1 ZINC001155569752 815293290 /nfs/dbraw/zinc/29/32/90/815293290.db2.gz IHIDBKWFPJGGFD-SMDDNHRTSA-N 2 0 273.340 -0.283 20 0 CBADRP Cc1nc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)cc(N(C)C)[nH+]1 ZINC001155571881 815295724 /nfs/dbraw/zinc/29/57/24/815295724.db2.gz VSIUNQROEXQYBA-ZANVPECISA-N 2 0 276.344 -0.159 20 0 CBADRP Cc1cnc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)nc1C1C[NH2+]C1 ZINC001155581938 815298574 /nfs/dbraw/zinc/29/85/74/815298574.db2.gz WNDXASZOLIRFMZ-HZMBPMFUSA-N 2 0 288.355 -0.538 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001155789161 815310880 /nfs/dbraw/zinc/31/08/80/815310880.db2.gz ABKANVHLMBUBCS-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001155789160 815310901 /nfs/dbraw/zinc/31/09/01/815310901.db2.gz ABKANVHLMBUBCS-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001155789878 815311527 /nfs/dbraw/zinc/31/15/27/815311527.db2.gz GSOPWKOAPPPJOI-WDEREUQCSA-N 2 0 268.361 -0.935 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155789193 815311623 /nfs/dbraw/zinc/31/16/23/815311623.db2.gz BGUMTKMFEABORG-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001155790694 815312048 /nfs/dbraw/zinc/31/20/48/815312048.db2.gz MGEPWDOETMRYRR-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001155791032 815313278 /nfs/dbraw/zinc/31/32/78/815313278.db2.gz QZDHFDGTAJLRQU-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155812879 815314818 /nfs/dbraw/zinc/31/48/18/815314818.db2.gz OTGACXBUVUIZJO-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP [NH3+][C@@H]1CCN(c2nccc(N3CCC([NH3+])CC3)n2)C1 ZINC001156225790 815346214 /nfs/dbraw/zinc/34/62/14/815346214.db2.gz HBNFNKIIYPWADU-LLVKDONJSA-N 2 0 262.361 -0.059 20 0 CBADRP [NH3+][C@@H]1CCN(c2ncccc2C(=O)N2CC[NH2+]CC2)C1 ZINC001156227613 815346541 /nfs/dbraw/zinc/34/65/41/815346541.db2.gz UNAZPIVIONHBIL-LLVKDONJSA-N 2 0 275.356 -0.336 20 0 CBADRP CN(c1cc(C[NH+](C)C)ccn1)S(=O)(=O)CC[NH3+] ZINC001156239936 815350285 /nfs/dbraw/zinc/35/02/85/815350285.db2.gz CGFQFYDGMZYMBK-UHFFFAOYSA-N 2 0 272.374 -0.132 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001086087883 810241276 /nfs/dbraw/zinc/24/12/76/810241276.db2.gz UEWSKOADSOJDOJ-UHTWSYAYSA-N 2 0 294.399 -0.702 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001086087882 810241578 /nfs/dbraw/zinc/24/15/78/810241578.db2.gz UEWSKOADSOJDOJ-KGYLQXTDSA-N 2 0 294.399 -0.702 20 0 CBADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001086086732 810241600 /nfs/dbraw/zinc/24/16/00/810241600.db2.gz CZLNCSPBDKAOHE-YUTCNCBUSA-N 2 0 281.400 -0.195 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086101954 810241782 /nfs/dbraw/zinc/24/17/82/810241782.db2.gz CCIDLGKOQQTFEC-XQQFMLRXSA-N 2 0 296.415 -0.170 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086085285 810242035 /nfs/dbraw/zinc/24/20/35/810242035.db2.gz ZPZSEYZDXXCHPW-FRRDWIJNSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001086122479 810243450 /nfs/dbraw/zinc/24/34/50/810243450.db2.gz MUIDTEIIVKIPCB-FVCCEPFGSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001086186526 810247316 /nfs/dbraw/zinc/24/73/16/810247316.db2.gz CBUFFAAGCBNWKU-GMXVVIOVSA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086198366 810248520 /nfs/dbraw/zinc/24/85/20/810248520.db2.gz QYMJANLNGVYRSQ-NNYUYHANSA-N 2 0 282.388 -0.846 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086254079 810251815 /nfs/dbraw/zinc/25/18/15/810251815.db2.gz ISENKPQCXAJISL-PHIMTYICSA-N 2 0 280.372 -0.948 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001086270414 810253529 /nfs/dbraw/zinc/25/35/29/810253529.db2.gz DKELJUMRICMOOM-FVCCEPFGSA-N 2 0 296.415 -0.314 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001086327739 810260374 /nfs/dbraw/zinc/26/03/74/810260374.db2.gz OSUSFVLHSVLQRC-ZDEQEGDKSA-N 2 0 294.399 -0.547 20 0 CBADRP CN1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCF)C2)C1 ZINC001086331625 810261454 /nfs/dbraw/zinc/26/14/54/810261454.db2.gz BBBCKFBOLRNACE-SRVKXCTJSA-N 2 0 273.352 -0.229 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001086327896 810261673 /nfs/dbraw/zinc/26/16/73/810261673.db2.gz TTYQTFBAADPRSV-ZDEQEGDKSA-N 2 0 296.415 -0.171 20 0 CBADRP O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001086372955 810265872 /nfs/dbraw/zinc/26/58/72/810265872.db2.gz FGWGCQOYSMELLK-XUXIUFHCSA-N 2 0 297.399 -0.674 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001086403038 810266680 /nfs/dbraw/zinc/26/66/80/810266680.db2.gz SAUNOEVAHDKUAE-AVGNSLFASA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001086402221 810267448 /nfs/dbraw/zinc/26/74/48/810267448.db2.gz MUIDTEIIVKIPCB-FDYHWXHSSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001086466424 810272648 /nfs/dbraw/zinc/27/26/48/810272648.db2.gz CBUFFAAGCBNWKU-NQBHXWOUSA-N 2 0 296.415 -0.314 20 0 CBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001086456707 810272927 /nfs/dbraw/zinc/27/29/27/810272927.db2.gz SIAVEGXDZGIIHR-MGPQQGTHSA-N 2 0 299.415 -0.428 20 0 CBADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCO ZINC001087828882 810308564 /nfs/dbraw/zinc/30/85/64/810308564.db2.gz YFHCQMADODBGEH-FRRDWIJNSA-N 2 0 269.389 -0.101 20 0 CBADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001088201582 810322086 /nfs/dbraw/zinc/32/20/86/810322086.db2.gz JIUBFIYDZKTQFG-KGLIPLIRSA-N 2 0 281.400 -0.145 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CCO ZINC001088571773 810346169 /nfs/dbraw/zinc/34/61/69/810346169.db2.gz MXPSQTVORMSBBP-BNOWGMLFSA-N 2 0 281.400 -0.101 20 0 CBADRP CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090536204 810517901 /nfs/dbraw/zinc/51/79/01/810517901.db2.gz BXXKSCOECGDUOO-CHWSQXEVSA-N 2 0 269.389 -0.101 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730389 810560228 /nfs/dbraw/zinc/56/02/28/810560228.db2.gz KZNOTAKISODJGK-CHWSQXEVSA-N 2 0 297.399 -0.720 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090818963 810571893 /nfs/dbraw/zinc/57/18/93/810571893.db2.gz YMVNWPBMBISJIP-QWHCGFSZSA-N 2 0 285.388 -0.720 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001091039139 810586995 /nfs/dbraw/zinc/58/69/95/810586995.db2.gz OKYZAYSNHVPNAZ-IFWUJCSASA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCC2CC([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001091202375 810597593 /nfs/dbraw/zinc/59/75/93/810597593.db2.gz XVJGBMVQVLQFPY-QCXCNERSSA-N 2 0 296.415 -0.314 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1-c1ncc2c(n1)CC[NH2+]C2 ZINC001156826181 815383910 /nfs/dbraw/zinc/38/39/10/815383910.db2.gz VXEVKSJUQTZEHJ-UHFFFAOYSA-N 2 0 271.328 -0.445 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092273653 810628137 /nfs/dbraw/zinc/62/81/37/810628137.db2.gz PAAWOAIZAIWNPI-ZOWXZIJZSA-N 2 0 294.399 -0.796 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092510579 810632737 /nfs/dbraw/zinc/63/27/37/810632737.db2.gz TTXUDYPNWJFDEJ-UPJWGTAASA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093195355 810647278 /nfs/dbraw/zinc/64/72/78/810647278.db2.gz OBVILVZGUUCWKN-IJLUTSLNSA-N 2 0 282.388 -0.893 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093195410 810647642 /nfs/dbraw/zinc/64/76/42/810647642.db2.gz QMHCRUIPQVJUPF-FRRDWIJNSA-N 2 0 269.389 -0.386 20 0 CBADRP NC(=O)c1cnc(Cl)nc1NC(=[NH2+])NCCCC[NH3+] ZINC001157093384 815403810 /nfs/dbraw/zinc/40/38/10/815403810.db2.gz AEDKEFMCZSKATI-UHFFFAOYSA-N 2 0 285.739 -0.096 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])Nc1ncnc2c1CC[NH2+]CC2 ZINC001157094213 815404331 /nfs/dbraw/zinc/40/43/31/815404331.db2.gz NOXRJZHZTCWCJY-UHFFFAOYSA-N 3 0 277.376 -0.160 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879469 810959857 /nfs/dbraw/zinc/95/98/57/810959857.db2.gz KMBQAGJRGYIRLB-KGLIPLIRSA-N 2 0 299.415 -0.332 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@H]2O)CCC1 ZINC001099873887 810960056 /nfs/dbraw/zinc/96/00/56/810960056.db2.gz BNYAGBKCGITCTL-VXGBXAGGSA-N 2 0 285.388 -0.986 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@H]2O)CCC1 ZINC001099874184 810960460 /nfs/dbraw/zinc/96/04/60/810960460.db2.gz HIJMWXJTNWCECQ-CHWSQXEVSA-N 2 0 299.415 -0.596 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986397 810983539 /nfs/dbraw/zinc/98/35/39/810983539.db2.gz KFSMIAXDZWUFQU-NWDGAFQWSA-N 2 0 273.377 -0.864 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986398 810983879 /nfs/dbraw/zinc/98/38/79/810983879.db2.gz KFSMIAXDZWUFQU-RYUDHWBXSA-N 2 0 273.377 -0.864 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001099986544 810985455 /nfs/dbraw/zinc/98/54/55/810985455.db2.gz MIASNROBTANLOA-NEPJUHHUSA-N 2 0 275.368 -0.151 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001099986545 810986060 /nfs/dbraw/zinc/98/60/60/810986060.db2.gz MIASNROBTANLOA-NWDGAFQWSA-N 2 0 275.368 -0.151 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CC)C[C@@H]1O ZINC001100041771 811002600 /nfs/dbraw/zinc/00/26/00/811002600.db2.gz NZAGXPXCCKCXSV-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100042118 811004267 /nfs/dbraw/zinc/00/42/67/811004267.db2.gz UBATWEDIAYTSGO-OLZOCXBDSA-N 2 0 287.404 -0.738 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CCOC)C[C@H]1O ZINC001100041899 811004419 /nfs/dbraw/zinc/00/44/19/811004419.db2.gz PTJJYXPVOFFIGW-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CCOC)C[C@H]1O ZINC001100041897 811004879 /nfs/dbraw/zinc/00/48/79/811004879.db2.gz PTJJYXPVOFFIGW-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCCO)C[C@@H]1O ZINC001100067455 811009633 /nfs/dbraw/zinc/00/96/33/811009633.db2.gz RRZZLQOURMOEBX-STQMWFEESA-N 2 0 287.404 -0.738 20 0 CBADRP CC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076526 811013975 /nfs/dbraw/zinc/01/39/75/811013975.db2.gz MQDZTXUPVRSLRD-NWDGAFQWSA-N 2 0 273.377 -0.864 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCOC)C[C@H]1O ZINC001100081331 811016754 /nfs/dbraw/zinc/01/67/54/811016754.db2.gz QLGPNZQEPYVRDQ-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCO)C[C@@H]1O ZINC001100083261 811016954 /nfs/dbraw/zinc/01/69/54/811016954.db2.gz PETPVYGRKPPADL-OLZOCXBDSA-N 2 0 287.404 -0.738 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCO)C[C@H]1O ZINC001100080955 811018388 /nfs/dbraw/zinc/01/83/88/811018388.db2.gz OEQZRSULCYZNJU-CHWSQXEVSA-N 2 0 287.404 -0.738 20 0 CBADRP O=C(CCC[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100124260 811024576 /nfs/dbraw/zinc/02/45/76/811024576.db2.gz FSAHYFSFICUMCH-UONOGXRCSA-N 2 0 299.415 -0.594 20 0 CBADRP CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132556 811024868 /nfs/dbraw/zinc/02/48/68/811024868.db2.gz VQXADHHTRZJLLP-NWDGAFQWSA-N 2 0 257.378 -0.102 20 0 CBADRP CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132555 811025960 /nfs/dbraw/zinc/02/59/60/811025960.db2.gz VQXADHHTRZJLLP-NEPJUHHUSA-N 2 0 257.378 -0.102 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132580 811028731 /nfs/dbraw/zinc/02/87/31/811028731.db2.gz WDFPIKNSMKBEQF-OLZOCXBDSA-N 2 0 287.404 -0.476 20 0 CBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001100185489 811033697 /nfs/dbraw/zinc/03/36/97/811033697.db2.gz CIBDJKWTOJHQAR-HTAVTVPLSA-N 2 0 282.388 -0.689 20 0 CBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001100343738 811051017 /nfs/dbraw/zinc/05/10/17/811051017.db2.gz PUCQYVGDAPDPNO-IKWCTNDRSA-N 2 0 296.415 -0.443 20 0 CBADRP C[N@H+](CC(=O)NCC1CC([NH2+]CCO)C1)C1CCC1 ZINC001100411647 811055979 /nfs/dbraw/zinc/05/59/79/811055979.db2.gz KNNGZLPWWZVBJK-UHFFFAOYSA-N 2 0 269.389 -0.053 20 0 CBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001100446851 811058003 /nfs/dbraw/zinc/05/80/03/811058003.db2.gz DDMHHFVFDXVOOG-WXRRBKDZSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100460228 811058715 /nfs/dbraw/zinc/05/87/15/811058715.db2.gz VHZURTOHPWMZMY-UHFFFAOYSA-N 2 0 284.404 -0.314 20 0 CBADRP COC[C@H](O)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001100564664 811063762 /nfs/dbraw/zinc/06/37/62/811063762.db2.gz QWKXCPHZDIGZMC-NWINJMCUSA-N 2 0 299.415 -0.428 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637104 811069289 /nfs/dbraw/zinc/06/92/89/811069289.db2.gz BYAZBOGGUZKORA-VOMCLLRMSA-N 2 0 284.404 -0.443 20 0 CBADRP C[N@H+](CC(=O)NCC1CC([NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001100681369 811070788 /nfs/dbraw/zinc/07/07/88/811070788.db2.gz HANGFAYCPQPMPQ-UHFFFAOYSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@@H]([NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001100638570 811071021 /nfs/dbraw/zinc/07/10/21/811071021.db2.gz SHYAAMOEGBWUIP-PNESKVBLSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001100678339 811071030 /nfs/dbraw/zinc/07/10/30/811071030.db2.gz HQJDWVLEDAJRRV-PNESKVBLSA-N 2 0 296.415 -0.441 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001101039664 811091034 /nfs/dbraw/zinc/09/10/34/811091034.db2.gz XHQMSXQBVTZUEC-WXRRBKDZSA-N 2 0 296.415 -0.301 20 0 CBADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001101398063 811103410 /nfs/dbraw/zinc/10/34/10/811103410.db2.gz UZVURJKCPSCELT-DOMZBBRYSA-N 2 0 296.415 -0.406 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@@H](F)C1 ZINC001157322963 815423054 /nfs/dbraw/zinc/42/30/54/815423054.db2.gz GMURXKPFPUVNFS-DCAQKATOSA-N 2 0 288.367 -0.706 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](C[NH3+])C(C)C ZINC001157323855 815423602 /nfs/dbraw/zinc/42/36/02/815423602.db2.gz QBWZHGRLLHEKKB-QWRGUYRKSA-N 2 0 272.393 -0.423 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1[NH2+][C@H]2CC[C@@H]1C2 ZINC001157324376 815424059 /nfs/dbraw/zinc/42/40/59/815424059.db2.gz YEKGQUYHLJMNHM-RHYQMDGZSA-N 2 0 282.388 -0.513 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001157324311 815424267 /nfs/dbraw/zinc/42/42/67/815424267.db2.gz VBMBGLULFXCNGY-MXWKQRLJSA-N 2 0 270.377 -0.526 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC001157324314 815424394 /nfs/dbraw/zinc/42/43/94/815424394.db2.gz VGKYKJCQIJSBMM-DCAQKATOSA-N 2 0 284.404 -0.280 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C=C1CC[NH2+]CC1 ZINC001157337517 815424723 /nfs/dbraw/zinc/42/47/23/815424723.db2.gz WXJYEFKHIBLRKG-LBPRGKRZSA-N 2 0 282.388 -0.344 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C)[NH+](C)C ZINC001102330270 811152982 /nfs/dbraw/zinc/15/29/82/811152982.db2.gz MBRMAKBRZIEYSY-YRGRVCCFSA-N 2 0 298.431 -0.258 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(N)=O)C[C@H]2C)C1 ZINC001102369777 811153859 /nfs/dbraw/zinc/15/38/59/811153859.db2.gz GTLACLLAYOGJDJ-YNEHKIRRSA-N 2 0 296.415 -0.502 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NC)C[C@H]1C ZINC001102495771 811158699 /nfs/dbraw/zinc/15/86/99/811158699.db2.gz MPGFQYIBRRGTFB-CHWSQXEVSA-N 2 0 298.431 -0.242 20 0 CBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398290 811183968 /nfs/dbraw/zinc/18/39/68/811183968.db2.gz LVIHRZHVWDPBMX-VXGBXAGGSA-N 2 0 284.404 -0.502 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001103612673 811184455 /nfs/dbraw/zinc/18/44/55/811184455.db2.gz OYQNLPOWNOGQEB-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157379871 815429396 /nfs/dbraw/zinc/42/93/96/815429396.db2.gz QKEUQVNEOMGRRQ-RYUDHWBXSA-N 2 0 284.404 -0.183 20 0 CBADRP C[NH2+]CCC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157379538 815429582 /nfs/dbraw/zinc/42/95/82/815429582.db2.gz MJAMASMUJVBGLK-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(N)=O ZINC001105007514 811212875 /nfs/dbraw/zinc/21/28/75/811212875.db2.gz AFQUIYCGUIDMSO-UPJWGTAASA-N 2 0 296.415 -0.502 20 0 CBADRP CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)[C@@H](N)C[NH3+] ZINC001157413473 815431994 /nfs/dbraw/zinc/43/19/94/815431994.db2.gz FOKCNEWRMHFAHZ-LBPRGKRZSA-N 2 0 263.345 -0.243 20 0 CBADRP Cc1cc(N(C(=N)N)C(=O)[C@@H]([NH3+])CCC[NH3+])n[nH]1 ZINC001157440370 815434171 /nfs/dbraw/zinc/43/41/71/815434171.db2.gz UHRXKJXQOGNVMG-ZETCQYMHSA-N 2 0 253.310 -0.989 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C2)CC[N@@H+]1C ZINC001106148186 811298674 /nfs/dbraw/zinc/29/86/74/811298674.db2.gz GPVSXFUOMBPJPG-FDYHWXHSSA-N 2 0 296.415 -0.504 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106622879 811311245 /nfs/dbraw/zinc/31/12/45/811311245.db2.gz VJFZIBINUSYCTI-VXGBXAGGSA-N 2 0 284.404 -0.632 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106622842 811311497 /nfs/dbraw/zinc/31/14/97/811311497.db2.gz TUUQGQPVIGQUCC-CHWSQXEVSA-N 2 0 298.431 -0.290 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001106622752 811311505 /nfs/dbraw/zinc/31/15/05/811311505.db2.gz OLPNZGJYYHWYCP-GHMZBOCLSA-N 2 0 270.377 -0.893 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(N)=O ZINC001106874279 811317494 /nfs/dbraw/zinc/31/74/94/811317494.db2.gz AQVZPULSAMURAI-JHJVBQTASA-N 2 0 296.415 -0.502 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(N)=O)[C@H](C)C1 ZINC001107040774 811322637 /nfs/dbraw/zinc/32/26/37/811322637.db2.gz MUJFCJYFGVPTKF-JHJVBQTASA-N 2 0 298.431 -0.116 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157536330 815442762 /nfs/dbraw/zinc/44/27/62/815442762.db2.gz KWDHHSSVAXHFGU-VWYCJHECSA-N 3 0 260.357 -0.447 20 0 CBADRP C[NH2+][C@H]1CCCN(CC(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)C1 ZINC001157537918 815443490 /nfs/dbraw/zinc/44/34/90/815443490.db2.gz FCQNVMJPLHRUMH-AXFHLTTASA-N 2 0 258.341 -0.822 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)C[C@H]1F ZINC001157539003 815443846 /nfs/dbraw/zinc/44/38/46/815443846.db2.gz WLRDHMOWUFYGLU-RHYQMDGZSA-N 2 0 298.362 -0.763 20 0 CBADRP [NH3+][C@H](C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1)C1CCC(O)CC1 ZINC001157538652 815444094 /nfs/dbraw/zinc/44/40/94/815444094.db2.gz PYDNVRWLNRHJPW-QIBXXNMASA-N 2 0 259.325 -0.628 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@@H]2Cn3ccnc3C23CC[NH2+]CC3)C1 ZINC001157629843 815449554 /nfs/dbraw/zinc/44/95/54/815449554.db2.gz VJTBZYPYNXMIIA-NSHDSACASA-N 2 0 289.383 -0.306 20 0 CBADRP [NH3+][C@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@H]1F ZINC001157560741 815446229 /nfs/dbraw/zinc/44/62/29/815446229.db2.gz ZZAGDMDNMZASSV-SFYZADRCSA-N 2 0 253.281 -0.823 20 0 CBADRP NC(=[NH2+])c1nccn1-c1ccc(N2CC[NH2+]CC2)nn1 ZINC001157621480 815448124 /nfs/dbraw/zinc/44/81/24/815448124.db2.gz OUTSSYDACYQEHV-UHFFFAOYSA-N 2 0 272.316 -0.644 20 0 CBADRP NC(=[NH2+])c1nccn1-c1ccc(N2CC[NH2+]CC2)cn1 ZINC001157626743 815448654 /nfs/dbraw/zinc/44/86/54/815448654.db2.gz MWEVYBSCMOKFHS-UHFFFAOYSA-N 2 0 271.328 -0.039 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001157632525 815449048 /nfs/dbraw/zinc/44/90/48/815449048.db2.gz CSAVRPXUMZMGGI-SNVBAGLBSA-N 3 0 252.362 -0.580 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@@H]2CCCCN2[C@H]2CC[NH2+]C2)C1 ZINC001157650922 815450226 /nfs/dbraw/zinc/45/02/26/815450226.db2.gz HLTABIRYQNITKR-RYUDHWBXSA-N 2 0 266.389 -0.238 20 0 CBADRP CC1([NH3+])CN(C(=O)c2csc(N3CC[NH2+]CC3)n2)C1 ZINC001157656316 815450836 /nfs/dbraw/zinc/45/08/36/815450836.db2.gz NWCWOLFDQRGIPP-UHFFFAOYSA-N 2 0 281.385 -0.274 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC([NH+](C)C)C1 ZINC001157689237 815452522 /nfs/dbraw/zinc/45/25/22/815452522.db2.gz QIDQUYSTEOGYKF-NSHDSACASA-N 2 0 270.377 -0.752 20 0 CBADRP C[NH+](C)C1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001157681142 815452903 /nfs/dbraw/zinc/45/29/03/815452903.db2.gz FMBFDIUEWKXGIZ-GFCCVEGCSA-N 3 0 266.389 -0.367 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCOCC(F)(F)C1 ZINC001157708536 815455573 /nfs/dbraw/zinc/45/55/73/815455573.db2.gz VCFLHWUVQNUOTG-VIFPVBQESA-N 2 0 275.299 -0.711 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC(F)(C2CC2)C1 ZINC001157702641 815454296 /nfs/dbraw/zinc/45/42/96/815454296.db2.gz ARZMZPDZWDLEMJ-SNVBAGLBSA-N 2 0 253.321 -0.244 20 0 CBADRP [NH3+][C@H](C(=O)N1CCOCC(F)(F)C1)C1CC[NH2+]CC1 ZINC001157708464 815455934 /nfs/dbraw/zinc/45/59/34/815455934.db2.gz QONQTIOTASJPJI-JTQLQIEISA-N 2 0 277.315 -0.193 20 0 CBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])CC1CCC1 ZINC001157720554 815456368 /nfs/dbraw/zinc/45/63/68/815456368.db2.gz LTPDGVZRPNDOKR-NEPJUHHUSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)C1CC2(C[NH2+]C2)C1 ZINC001157717363 815456758 /nfs/dbraw/zinc/45/67/58/815456758.db2.gz ZVMZDVKHRJUEGK-LLVKDONJSA-N 2 0 253.346 -0.567 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC(F)(F)CC[C@H]1CO ZINC001157730395 815457759 /nfs/dbraw/zinc/45/77/59/815457759.db2.gz KJWSGAOUFHRHIT-IUCAKERBSA-N 2 0 265.304 -0.329 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]([NH3+])Cn2cccn2)CC1 ZINC001157729738 815458113 /nfs/dbraw/zinc/45/81/13/815458113.db2.gz HBNMHHVJMMEUSU-WCQYABFASA-N 2 0 283.351 -0.110 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC(F)(F)CC[C@@H]1CO ZINC001157730393 815458627 /nfs/dbraw/zinc/45/86/27/815458627.db2.gz KJWSGAOUFHRHIT-BDAKNGLRSA-N 2 0 265.304 -0.329 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001157740888 815460366 /nfs/dbraw/zinc/46/03/66/815460366.db2.gz QPFJSCUMGFNKBH-XBFCOCLRSA-N 2 0 284.379 -0.383 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)C2=NO[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC001157741274 815460457 /nfs/dbraw/zinc/46/04/57/815460457.db2.gz VPBBULNSMXNEJM-CWSCBRNRSA-N 2 0 284.335 -0.360 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC001157739122 815460468 /nfs/dbraw/zinc/46/04/68/815460468.db2.gz FROFNUUORYLKPQ-CKYFFXLPSA-N 2 0 259.325 -0.611 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001157740708 815460577 /nfs/dbraw/zinc/46/05/77/815460577.db2.gz QPFJSCUMGFNKBH-KWCYVHTRSA-N 2 0 284.379 -0.383 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157739421 815460719 /nfs/dbraw/zinc/46/07/19/815460719.db2.gz HGVJEWORQSXBPV-CMPLNLGQSA-N 3 0 260.357 -0.268 20 0 CBADRP O=C(N1CCC[C@@](O)(CF)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157781458 815465821 /nfs/dbraw/zinc/46/58/21/815465821.db2.gz PRHMIVICVFQGQP-VHDGCEQUSA-N 2 0 299.390 -0.101 20 0 CBADRP COC(=O)[C@@H]1C[C@H](C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)CCN1 ZINC001157798449 815467193 /nfs/dbraw/zinc/46/71/93/815467193.db2.gz BCDNSCDDLOMGFI-WYUUTHIRSA-N 2 0 283.372 -0.277 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001157746298 815461838 /nfs/dbraw/zinc/46/18/38/815461838.db2.gz PNRYVDNUNKZHCM-SCVCMEIPSA-N 2 0 259.325 -0.754 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157755893 815462963 /nfs/dbraw/zinc/46/29/63/815462963.db2.gz UFRPEODYPZLVDG-TZMCWYRMSA-N 2 0 286.395 -0.088 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])C[C@@H]1[NH3+] ZINC001157803779 815468623 /nfs/dbraw/zinc/46/86/23/815468623.db2.gz JSDNYDTXJLPBAY-VWYCJHECSA-N 2 0 268.361 -0.868 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001157804870 815468720 /nfs/dbraw/zinc/46/87/20/815468720.db2.gz YWTHOYSCSGELQS-USWWRNFRSA-N 3 0 254.378 -0.491 20 0 CBADRP [NH3+]C[C@]1(F)CCN(c2ccc(N3CC[NH2+]CC3)nn2)C1 ZINC001157812983 815469250 /nfs/dbraw/zinc/46/92/50/815469250.db2.gz NKQLNNQFUXOQHZ-CYBMUJFWSA-N 2 0 280.351 -0.237 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCN2C)C[C@@H]1[NH3+] ZINC001157810383 815469358 /nfs/dbraw/zinc/46/93/58/815469358.db2.gz NBUJJKUFRXRUKR-GRYCIOLGSA-N 2 0 254.378 -0.572 20 0 CBADRP C[C@@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1[NH3+] ZINC001157810390 815469798 /nfs/dbraw/zinc/46/97/98/815469798.db2.gz NGRXQKAIFOHMIW-VWYCJHECSA-N 2 0 268.361 -0.950 20 0 CBADRP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001157841104 815470364 /nfs/dbraw/zinc/47/03/64/815470364.db2.gz DZPSGWFAWCHUMX-GVXVVHGQSA-N 2 0 279.388 -0.124 20 0 CBADRP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001157845000 815470494 /nfs/dbraw/zinc/47/04/94/815470494.db2.gz ZFHRVCIQQQRTGV-OPDFLTKYSA-N 2 0 267.373 -0.192 20 0 CBADRP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)CN1CC[NH2+]CC1 ZINC001157844762 815470605 /nfs/dbraw/zinc/47/06/05/815470605.db2.gz XMYZSGVMCCPSHE-NWDGAFQWSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157841870 815470790 /nfs/dbraw/zinc/47/07/90/815470790.db2.gz IJILCMMMDNDHJU-IJLUTSLNSA-N 3 0 266.389 -0.619 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001157844249 815470841 /nfs/dbraw/zinc/47/08/41/815470841.db2.gz VKPWWXUZBUHDAB-LSJOCFKGSA-N 2 0 257.334 -0.537 20 0 CBADRP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001157840609 815470988 /nfs/dbraw/zinc/47/09/88/815470988.db2.gz BZRZSOVEKPHAFJ-SRVKXCTJSA-N 2 0 282.388 -0.478 20 0 CBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157841873 815471077 /nfs/dbraw/zinc/47/10/77/815471077.db2.gz IJILCMMMDNDHJU-WOPDTQHZSA-N 3 0 266.389 -0.619 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[NH+](C)C ZINC001114464198 811750411 /nfs/dbraw/zinc/75/04/11/811750411.db2.gz QUYKJGBIMNXFTC-KXNHARMFSA-N 2 0 255.362 -0.635 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21)[NH+](C)C ZINC001114464205 811750562 /nfs/dbraw/zinc/75/05/62/811750562.db2.gz QVSXXCZBOMFOMI-CZXHOFHRSA-N 2 0 296.415 -0.539 20 0 CBADRP C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157854470 815473195 /nfs/dbraw/zinc/47/31/95/815473195.db2.gz FCRRPJPBWFXVAD-UTUOFQBUSA-N 2 0 267.373 -0.585 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC001157856528 815473811 /nfs/dbraw/zinc/47/38/11/815473811.db2.gz VKCZJOGJCZEOOF-GRYCIOLGSA-N 2 0 275.368 -0.023 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@]2(C)CC[NH2+]C[C@H]2O)C[C@@H]1[NH3+] ZINC001157798575 815468371 /nfs/dbraw/zinc/46/83/71/815468371.db2.gz FFKPEVQPBQTNAC-XZUYRWCXSA-N 2 0 255.362 -0.457 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1[NH3+] ZINC001157798527 815468454 /nfs/dbraw/zinc/46/84/54/815468454.db2.gz DGJJURYBOQIJHW-OUAUKWLOSA-N 2 0 253.346 -0.297 20 0 CBADRP C[C@H]1CC[C@H](CO)CN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001157856964 815474812 /nfs/dbraw/zinc/47/48/12/815474812.db2.gz YEJWMNJNSXPETI-DCAQKATOSA-N 2 0 275.418 -0.375 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCCC(=O)[C@H](F)C1 ZINC001157856992 815474908 /nfs/dbraw/zinc/47/49/08/815474908.db2.gz YPOQBTCQPWNMOO-VHSXEESVSA-N 2 0 269.320 -0.675 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@H](CO)CC(F)(F)C1 ZINC001157900582 815478046 /nfs/dbraw/zinc/47/80/46/815478046.db2.gz MSXCBOCLTWNQCP-RKDXNWHRSA-N 2 0 265.304 -0.471 20 0 CBADRP C[C@@]1(CO)CCCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001157901034 815478934 /nfs/dbraw/zinc/47/89/34/815478934.db2.gz VTHRQQNTHMPUMZ-GXTWGEPZSA-N 2 0 281.400 -0.194 20 0 CBADRP C[C@]1(CO)CCCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001157901036 815479532 /nfs/dbraw/zinc/47/95/32/815479532.db2.gz VTHRQQNTHMPUMZ-OCCSQVGLSA-N 2 0 281.400 -0.194 20 0 CBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[C@H](CO)[C@H](O)C1 ZINC001157904086 815480257 /nfs/dbraw/zinc/48/02/57/815480257.db2.gz IXPWLJUEBZMVJQ-FRRDWIJNSA-N 2 0 297.399 -0.938 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCc2[nH]cnc2C1 ZINC001157922457 815482611 /nfs/dbraw/zinc/48/26/11/815482611.db2.gz OKNPXZSRBVSWHV-VIFPVBQESA-N 2 0 251.334 -0.249 20 0 CBADRP COC[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157922178 815483241 /nfs/dbraw/zinc/48/32/41/815483241.db2.gz GUKMLNIFRVUGQS-KBPBESRZSA-N 2 0 298.431 -0.236 20 0 CBADRP CC1(C)CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)[C@](C)(CO)C1 ZINC001157925595 815483282 /nfs/dbraw/zinc/48/32/82/815483282.db2.gz MQBHYDPNLNUZHV-FZMZJTMJSA-N 2 0 281.400 -0.195 20 0 CBADRP C[C@@]1(CO)CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C[C@H]1O ZINC001157948199 815491595 /nfs/dbraw/zinc/49/15/95/815491595.db2.gz ZRWAPNIAQZIECW-SCRDCRAPSA-N 2 0 287.404 -0.575 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001157948002 815492222 /nfs/dbraw/zinc/49/22/22/815492222.db2.gz YPGPYKFGTANYOJ-OUCADQQQSA-N 2 0 287.404 -0.705 20 0 CBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157970966 815493615 /nfs/dbraw/zinc/49/36/15/815493615.db2.gz UJODGUYVTUTDAK-MCIONIFRSA-N 2 0 275.352 -0.118 20 0 CBADRP Cc1nc(CCN(C)C(=O)[C@H]([NH3+])CCC[NH3+])no1 ZINC001157983025 815494154 /nfs/dbraw/zinc/49/41/54/815494154.db2.gz LDRNVWKQIMLVHO-SECBINFHSA-N 2 0 255.322 -0.555 20 0 CBADRP C[C@@]1(O)CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001157997448 815496162 /nfs/dbraw/zinc/49/61/62/815496162.db2.gz OLERDBUAUUOCDT-WCQYABFASA-N 2 0 267.373 -0.156 20 0 CBADRP COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001158014400 815498456 /nfs/dbraw/zinc/49/84/56/815498456.db2.gz LEDUTCVKVJOBJI-DCAQKATOSA-N 2 0 287.335 -0.575 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158029234 815499234 /nfs/dbraw/zinc/49/92/34/815499234.db2.gz GTSTXENVLAHXQO-CHWSQXEVSA-N 2 0 296.415 -0.297 20 0 CBADRP CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001158016679 815499592 /nfs/dbraw/zinc/49/95/92/815499592.db2.gz YWHCTWHDTMDHKZ-NXEZZACHSA-N 2 0 261.366 -0.967 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070627 815500250 /nfs/dbraw/zinc/50/02/50/815500250.db2.gz LIMBTBDIMKECKX-LLVKDONJSA-N 3 0 270.377 -0.966 20 0 CBADRP Cc1nc(CCN(C)C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)no1 ZINC001157982964 815494684 /nfs/dbraw/zinc/49/46/84/815494684.db2.gz IQMTTWOUFXCMLO-BXUZGUMPSA-N 2 0 293.371 -0.422 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158083125 815502518 /nfs/dbraw/zinc/50/25/18/815502518.db2.gz VJGXRMGZSMYQLD-NSHDSACASA-N 2 0 269.345 -0.393 20 0 CBADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)CC2 ZINC001158082255 815502816 /nfs/dbraw/zinc/50/28/16/815502816.db2.gz MYIWYGHEXLZCME-LBPRGKRZSA-N 2 0 294.399 -0.953 20 0 CBADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@H]1C[NH2+]C[C@H]1O)CC2 ZINC001158083276 815502823 /nfs/dbraw/zinc/50/28/23/815502823.db2.gz ZYNXPPUYCIOCGT-WDEREUQCSA-N 2 0 253.346 -0.703 20 0 CBADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)CC2 ZINC001158083192 815503333 /nfs/dbraw/zinc/50/33/33/815503333.db2.gz YFTRKKIVLKTXGZ-MLGOLLRUSA-N 3 0 292.427 -0.085 20 0 CBADRP CC1(C)C[NH2+][C@@](C)(C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)C1 ZINC001158091508 815503847 /nfs/dbraw/zinc/50/38/47/815503847.db2.gz DNFUIRQPJRAPGZ-HUUCEWRRSA-N 2 0 294.399 -0.545 20 0 CBADRP [NH3+]CCCCCCCC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158093094 815504091 /nfs/dbraw/zinc/50/40/91/815504091.db2.gz SEIRWXXHJCMUTE-OAHLLOKOSA-N 2 0 296.415 -0.024 20 0 CBADRP O=C(CC1CC[NH2+]CC1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091866 815504097 /nfs/dbraw/zinc/50/40/97/815504097.db2.gz JCEDXUIFVDEHIQ-CQSZACIVSA-N 2 0 280.372 -0.933 20 0 CBADRP [NH3+]Cc1ccccc1C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158111734 815505335 /nfs/dbraw/zinc/50/53/35/815505335.db2.gz QZVRLUUVHKPXPH-OAHLLOKOSA-N 2 0 288.351 -0.551 20 0 CBADRP O=C([C@@H]1CCCC[NH2+]1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158109828 815505378 /nfs/dbraw/zinc/50/53/78/815505378.db2.gz DRXHXJJUARINDZ-NHYWBVRUSA-N 2 0 292.383 -0.933 20 0 CBADRP Cc1nc(CC[NH3+])nn1-c1ccc(N2CC[NH2+]CC2)cn1 ZINC001158131276 815506221 /nfs/dbraw/zinc/50/62/21/815506221.db2.gz SSUZJRCFJLRZLZ-UHFFFAOYSA-N 2 0 287.371 -0.118 20 0 CBADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750303 812156787 /nfs/dbraw/zinc/15/67/87/812156787.db2.gz FHFVWIXGMBEQQK-NMKXLXIOSA-N 2 0 296.415 -0.491 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114750191 812157110 /nfs/dbraw/zinc/15/71/10/812157110.db2.gz CMBHDSYBJUDKGL-CZXHOFHRSA-N 2 0 294.399 -0.737 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001114771767 812159542 /nfs/dbraw/zinc/15/95/42/812159542.db2.gz JNYLEUBSJJJRRT-NHAGDIPZSA-N 2 0 291.399 -0.119 20 0 CBADRP CN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)C1=O ZINC001114778088 812159831 /nfs/dbraw/zinc/15/98/31/812159831.db2.gz FHMKVRFMJGLNRH-CZXHOFHRSA-N 2 0 294.399 -0.785 20 0 CBADRP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[NH+](C)C ZINC001114794571 812159886 /nfs/dbraw/zinc/15/98/86/812159886.db2.gz LFTCNGMEDYKADC-MROQNXINSA-N 2 0 269.389 -0.389 20 0 CBADRP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778431 812160491 /nfs/dbraw/zinc/16/04/91/812160491.db2.gz KUOTVCNWEMSDGJ-MEWQQHAOSA-N 2 0 282.388 -0.881 20 0 CBADRP N[C@@]1(C(=O)N2CCC[C@]23CCC[NH2+]C3)CCC[NH2+]C1 ZINC001158160266 815506930 /nfs/dbraw/zinc/50/69/30/815506930.db2.gz JUOLHAOFTXYWEY-KBPBESRZSA-N 2 0 266.389 -0.188 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161518 815507097 /nfs/dbraw/zinc/50/70/97/815507097.db2.gz PMHNSBGSJDCVEQ-DOMZBBRYSA-N 3 0 278.400 -0.460 20 0 CBADRP O=C(N1CCC[C@]12CCC[NH2+]C2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158162294 815507116 /nfs/dbraw/zinc/50/71/16/815507116.db2.gz WYWMNIJTAODJKL-VNQPRFMTSA-N 3 0 292.427 -0.070 20 0 CBADRP N[C@]1(C(=O)N2CCC[C@@]23CCC[NH2+]C3)CCC[NH2+]C1 ZINC001158160272 815507140 /nfs/dbraw/zinc/50/71/40/815507140.db2.gz JUOLHAOFTXYWEY-ZIAGYGMSSA-N 2 0 266.389 -0.188 20 0 CBADRP O=C([C@H]1[NH2+]CC[C@H]1O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158160945 815507150 /nfs/dbraw/zinc/50/71/50/815507150.db2.gz MHQHSQRIPNXJAX-NTZNESFSSA-N 2 0 253.346 -0.546 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161853 815507250 /nfs/dbraw/zinc/50/72/50/815507250.db2.gz RKNJYBZABKNJKI-MJLGCCKJSA-N 2 0 287.429 -0.173 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001115001391 812173595 /nfs/dbraw/zinc/17/35/95/812173595.db2.gz XLHFSEDCWDNOLJ-PJXYFTJBSA-N 2 0 255.362 -0.633 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC2(CCC[NH2+]2)CC1 ZINC001158169718 815507972 /nfs/dbraw/zinc/50/79/72/815507972.db2.gz SAYMTJDFMYQYJR-UHFFFAOYSA-N 2 0 266.389 -0.364 20 0 CBADRP C[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158197541 815511869 /nfs/dbraw/zinc/51/18/69/815511869.db2.gz ZNXVKDMEWFUKEU-WCQYABFASA-N 2 0 269.389 -0.195 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](O)COC)C[C@H]21 ZINC001115080706 812178069 /nfs/dbraw/zinc/17/80/69/812178069.db2.gz CPOYJYHLMKJEOR-RMRHIDDWSA-N 2 0 299.415 -0.618 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)CC[NH2+]C[C@@H]1O ZINC001158198804 815512238 /nfs/dbraw/zinc/51/22/38/815512238.db2.gz JIJIUVXZEOKSSZ-NOHGZBONSA-N 2 0 253.346 -0.690 20 0 CBADRP CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126961 812180578 /nfs/dbraw/zinc/18/05/78/812180578.db2.gz YWPWOFLPSYTHHO-NHAGDIPZSA-N 2 0 299.415 -0.353 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21 ZINC001115153169 812181248 /nfs/dbraw/zinc/18/12/48/812181248.db2.gz ZPXKACNNHLGVQX-IMRBUKKESA-N 2 0 269.389 -0.243 20 0 CBADRP O=C(C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199103 815512788 /nfs/dbraw/zinc/51/27/88/815512788.db2.gz LMMUUGDPLKNFGG-RGDJUOJXSA-N 2 0 279.384 -0.036 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001165781624 819983053 /nfs/dbraw/zinc/98/30/53/819983053.db2.gz WHDUJKFMSSHKGZ-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP O=C(NCCC[NH2+]CCCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001158202144 815512898 /nfs/dbraw/zinc/51/28/98/815512898.db2.gz DOQGYKBNDGLNLV-CYBMUJFWSA-N 2 0 269.389 -0.194 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CCCCC1 ZINC001115450631 812195633 /nfs/dbraw/zinc/19/56/33/812195633.db2.gz IFZUHGLCOVZZIB-GFCCVEGCSA-N 2 0 296.415 -0.025 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168972 815508458 /nfs/dbraw/zinc/50/84/58/815508458.db2.gz LEILQWQHSNKJQH-LLVKDONJSA-N 3 0 254.378 -0.203 20 0 CBADRP O=C(N1CCC2(CCC[NH2+]2)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158168010 815508592 /nfs/dbraw/zinc/50/85/92/815508592.db2.gz AAVXUOUWRXZIBH-CZUORRHYSA-N 3 0 292.427 -0.070 20 0 CBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170405 815509326 /nfs/dbraw/zinc/50/93/26/815509326.db2.gz YJAOKSFHQYICJD-LLVKDONJSA-N 2 0 297.403 -0.493 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170399 815509548 /nfs/dbraw/zinc/50/95/48/815509548.db2.gz YFRXSZACEZMFRK-LBPRGKRZSA-N 3 0 278.400 -0.460 20 0 CBADRP O=C([C@@H]1CC[NH2+]C[C@H]1F)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158178714 815509718 /nfs/dbraw/zinc/50/97/18/815509718.db2.gz AUMFVHKMGQMCDX-DDHJBXDOSA-N 2 0 271.336 -0.619 20 0 CBADRP C[C@@H](CC(N)=O)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC001116287903 812241199 /nfs/dbraw/zinc/24/11/99/812241199.db2.gz DADJUSCIEIGAES-LBPRGKRZSA-N 2 0 256.394 -0.133 20 0 CBADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158231186 815514801 /nfs/dbraw/zinc/51/48/01/815514801.db2.gz IIWDIHRKEGUXJO-WDEREUQCSA-N 2 0 261.329 -0.368 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158214963 815514977 /nfs/dbraw/zinc/51/49/77/815514977.db2.gz GYTZIOYQHMQVHZ-WISYIIOYSA-N 2 0 281.356 -0.652 20 0 CBADRP CO[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001158216421 815515168 /nfs/dbraw/zinc/51/51/68/815515168.db2.gz ZQBCTFFMXBWKSC-WRWGMCAJSA-N 2 0 253.346 -0.284 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC001158313981 815519269 /nfs/dbraw/zinc/51/92/69/815519269.db2.gz LNYRBHQGBREMNQ-JFGNBEQYSA-N 2 0 252.362 -0.785 20 0 CBADRP O=C([C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306627 815519349 /nfs/dbraw/zinc/51/93/49/815519349.db2.gz VFYAPSHBYIDFSU-GBJTYRQASA-N 2 0 292.427 -0.119 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001158319908 815519893 /nfs/dbraw/zinc/51/98/93/815519893.db2.gz PKJGNWUUOQGKFT-BBBLOLIVSA-N 2 0 287.310 -0.712 20 0 CBADRP Cc1nc2c([nH]1)CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2 ZINC001158339370 815521349 /nfs/dbraw/zinc/52/13/49/815521349.db2.gz OWDAVPMAXCBLAG-SNVBAGLBSA-N 2 0 265.361 -0.288 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[C@@H]2CCO[C@H]2C1)C1CC[NH2+]CC1 ZINC001158339374 815521482 /nfs/dbraw/zinc/52/14/82/815521482.db2.gz OWGKZLZFSCNTQY-WXHSDQCUSA-N 2 0 267.373 -0.049 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001158380299 815523013 /nfs/dbraw/zinc/52/30/13/815523013.db2.gz PCNBJCWBAPUSGY-UTUOFQBUSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001158381178 815523022 /nfs/dbraw/zinc/52/30/22/815523022.db2.gz ZIZSVTSAAIKRSA-JHJVBQTASA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158380670 815523207 /nfs/dbraw/zinc/52/32/07/815523207.db2.gz SZSJQMZJEZZSFZ-GHMZBOCLSA-N 2 0 270.377 -0.832 20 0 CBADRP [NH3+]Cc1cnnn1-c1nc(Cl)nc2c1CC[NH2+]C2 ZINC001158420261 815526976 /nfs/dbraw/zinc/52/69/76/815526976.db2.gz KMQDCQFCKWVLKO-UHFFFAOYSA-N 2 0 265.708 -0.185 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC[NH2+]1 ZINC001117972433 812460445 /nfs/dbraw/zinc/46/04/45/812460445.db2.gz TXJNSDFGSUZXPJ-YNEHKIRRSA-N 2 0 296.415 -0.204 20 0 CBADRP O=C([C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158423118 815527801 /nfs/dbraw/zinc/52/78/01/815527801.db2.gz NGXLHMCLXFFHGQ-PJSNJIKXSA-N 2 0 265.357 -0.284 20 0 CBADRP [NH3+][C@H](C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21)C1CC[NH2+]CC1 ZINC001158422415 815528180 /nfs/dbraw/zinc/52/81/80/815528180.db2.gz KUWJBTZHBVFVHK-SRVKXCTJSA-N 3 0 252.362 -0.724 20 0 CBADRP [NH3+][C@H](C(=O)N1CCC[C@H]2[NH2+]C[C@H]21)C1CC[NH2+]CC1 ZINC001158422417 815528398 /nfs/dbraw/zinc/52/83/98/815528398.db2.gz KUWJBTZHBVFVHK-UTUOFQBUSA-N 3 0 252.362 -0.724 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001118139824 812477907 /nfs/dbraw/zinc/47/79/07/812477907.db2.gz XQABNBLBLFDASQ-UHFFFAOYSA-N 2 0 254.378 -0.603 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(F)F)CCO1 ZINC001118140318 812478193 /nfs/dbraw/zinc/47/81/93/812478193.db2.gz LXUXTIXOWAVYQA-FXQIFTODSA-N 2 0 251.277 -0.457 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158424332 815528546 /nfs/dbraw/zinc/52/85/46/815528546.db2.gz ROZAIHLTNPAZIW-NWDGAFQWSA-N 2 0 252.362 -0.709 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2cn[nH]c2)CC1 ZINC001118156019 812481144 /nfs/dbraw/zinc/48/11/44/812481144.db2.gz PLLPVEVORZTXPZ-CYBMUJFWSA-N 2 0 267.377 -0.850 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001118157287 812482125 /nfs/dbraw/zinc/48/21/25/812482125.db2.gz CHVQZSGLUCBBIG-BDAKNGLRSA-N 2 0 266.349 -0.332 20 0 CBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158426369 815529403 /nfs/dbraw/zinc/52/94/03/815529403.db2.gz ZCBWKYBZLXIGLN-FRRDWIJNSA-N 3 0 278.400 -0.177 20 0 CBADRP O=C(COC1CC[NH2+]CC1)NCCCN1CC[NH2+]CC1 ZINC001118200295 812492228 /nfs/dbraw/zinc/49/22/28/812492228.db2.gz IHJGXOVESJQNNB-UHFFFAOYSA-N 2 0 284.404 -0.834 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+][C@H]2CCNC2=O)CC[N@@H+]1C ZINC001158428760 815529522 /nfs/dbraw/zinc/52/95/22/815529522.db2.gz RMQJUNSBKIVSMP-UTUOFQBUSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001118201927 812494622 /nfs/dbraw/zinc/49/46/22/812494622.db2.gz MJNAMTOHTOMJFR-BDAKNGLRSA-N 2 0 252.322 -0.720 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001118204880 812495085 /nfs/dbraw/zinc/49/50/85/812495085.db2.gz GNIPGMYLXHGDTB-NXEZZACHSA-N 2 0 266.349 -0.378 20 0 CBADRP C[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[C@H]1[NH3+] ZINC001118205448 812496793 /nfs/dbraw/zinc/49/67/93/812496793.db2.gz JAUNTDOVMDCLLD-MXWKQRLJSA-N 2 0 268.361 -0.950 20 0 CBADRP C[C@H]1C[C@H](NC(=O)c2cn(CCCC[NH3+])nn2)CC[NH2+]1 ZINC001118211437 812498163 /nfs/dbraw/zinc/49/81/63/812498163.db2.gz IIHBQDICNQGPOX-WDEREUQCSA-N 2 0 280.376 -0.113 20 0 CBADRP CC(C)([NH3+])C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001118226331 812500243 /nfs/dbraw/zinc/50/02/43/812500243.db2.gz GULGTPWMMRPULB-SNVBAGLBSA-N 2 0 266.349 -0.362 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C1)NCCCN1CC[NH2+]CC1 ZINC001118259742 812510112 /nfs/dbraw/zinc/51/01/12/812510112.db2.gz ZGITYSLXGUEJQK-LBPRGKRZSA-N 2 0 254.378 -0.603 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001118264376 812511587 /nfs/dbraw/zinc/51/15/87/812511587.db2.gz FFOCAXSUYLENFT-ADEWGFFLSA-N 2 0 265.361 -0.471 20 0 CBADRP CC[C@H]1CN(CC(=O)N2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC001118264233 812512222 /nfs/dbraw/zinc/51/22/22/812512222.db2.gz ZCCSJNMVHUGWAC-NWDGAFQWSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@H](C(=O)NC1(C)CC[NH2+]CC1)N1CCN(C)CC1 ZINC001118269925 812514171 /nfs/dbraw/zinc/51/41/71/812514171.db2.gz QOLNVYMFJIQCCU-GFCCVEGCSA-N 2 0 268.405 -0.119 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)c1cn(CCCC[NH3+])nn1 ZINC001118271230 812515222 /nfs/dbraw/zinc/51/52/22/812515222.db2.gz XJRLXOXVSWUIGN-VHSXEESVSA-N 2 0 268.365 -0.127 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC001118276662 812517063 /nfs/dbraw/zinc/51/70/63/812517063.db2.gz AVQATIXTIIQYGD-AGIUHOORSA-N 3 0 268.405 -0.005 20 0 CBADRP C[NH+]1CCC(Oc2cc[nH+]c(N[C@@H](CO)C(N)=O)c2)CC1 ZINC001158446224 815534151 /nfs/dbraw/zinc/53/41/51/815534151.db2.gz ZRVGGKIWDZVPPF-LBPRGKRZSA-N 2 0 294.355 -0.187 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001118330390 812531796 /nfs/dbraw/zinc/53/17/96/812531796.db2.gz MJRYALFVKNWHPM-JTQLQIEISA-N 2 0 296.375 -0.906 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001118337356 812534727 /nfs/dbraw/zinc/53/47/27/812534727.db2.gz FBIXOPLJXBJCID-MELADBBJSA-N 2 0 299.415 -0.033 20 0 CBADRP C[NH2+][C@@H](C)Cc1noc(-c2cn(CC[NH3+])nn2)n1 ZINC001118376476 812539310 /nfs/dbraw/zinc/53/93/10/812539310.db2.gz LGTJFRLIKIXIAA-ZETCQYMHSA-N 2 0 251.294 -0.563 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC001118390800 812544316 /nfs/dbraw/zinc/54/43/16/812544316.db2.gz XTDSRGZEPVUEGM-BETUJISGSA-N 2 0 294.399 -0.521 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](C[NH3+])C(C)C ZINC001158498332 815535738 /nfs/dbraw/zinc/53/57/38/815535738.db2.gz OMDURPNUDISOGP-ZDEQEGDKSA-N 2 0 297.399 -0.031 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC001158499098 815536015 /nfs/dbraw/zinc/53/60/15/815536015.db2.gz WIEMFWOKONROAN-OHTBPHCPSA-N 2 0 295.383 -0.262 20 0 CBADRP [NH3+]CCCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118483152 812553914 /nfs/dbraw/zinc/55/39/14/812553914.db2.gz VBYNYANSDNAOCE-LBPRGKRZSA-N 2 0 270.377 -0.112 20 0 CBADRP O=C(C1CC[NH2+]CC1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158532354 815536135 /nfs/dbraw/zinc/53/61/35/815536135.db2.gz AXDIARUFGQQUGL-UMVBOHGHSA-N 2 0 279.384 -0.035 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001158498435 815536429 /nfs/dbraw/zinc/53/64/29/815536429.db2.gz PPVSTMAZYGRBEC-ASHHDVGLSA-N 2 0 293.367 -0.796 20 0 CBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158532338 815536601 /nfs/dbraw/zinc/53/66/01/815536601.db2.gz ATIKOQXYUGQVNB-ZBIBNXQESA-N 2 0 277.368 -0.569 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC001158499122 815536607 /nfs/dbraw/zinc/53/66/07/815536607.db2.gz WSEDYNTUVMUDFN-UUIJZJDISA-N 2 0 295.383 -0.120 20 0 CBADRP C[C@@]1(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[NH2+]C1 ZINC001118506022 812562502 /nfs/dbraw/zinc/56/25/02/812562502.db2.gz JOHHHVSLQSJKFG-GFCCVEGCSA-N 2 0 265.317 -0.743 20 0 CBADRP C[C@]1(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[NH2+]C1 ZINC001118506023 812562760 /nfs/dbraw/zinc/56/27/60/812562760.db2.gz JOHHHVSLQSJKFG-LBPRGKRZSA-N 2 0 265.317 -0.743 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC001118507373 812563475 /nfs/dbraw/zinc/56/34/75/812563475.db2.gz XQMJZQGXICRVAD-WRWGMCAJSA-N 2 0 255.362 -0.193 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533446 815537412 /nfs/dbraw/zinc/53/74/12/815537412.db2.gz LUJBWWGDIJTXPK-SFDCQRBFSA-N 3 0 296.415 -0.578 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001118548917 812573961 /nfs/dbraw/zinc/57/39/61/812573961.db2.gz URPAIRUBFHQSBO-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CN1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CC(=O)N2)CC1 ZINC001118633890 812591009 /nfs/dbraw/zinc/59/10/09/812591009.db2.gz HNXOWWNGYVQGEM-JTQLQIEISA-N 2 0 289.339 -0.340 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)C1 ZINC001158576613 815539094 /nfs/dbraw/zinc/53/90/94/815539094.db2.gz CCPJKOXRIMNRTF-ZNSHCXBVSA-N 2 0 270.352 -0.789 20 0 CBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3[NH2+]CC[C@H]3O)C[C@H]2CF)CC1 ZINC001158577014 815539169 /nfs/dbraw/zinc/53/91/69/815539169.db2.gz FYVGKRDVBSOLBP-DBIOUOCHSA-N 2 0 271.336 -0.755 20 0 CBADRP [NH3+]C1([C@@H]2CN(C(=O)C[C@H]3COCC[NH2+]3)C[C@@H]2CF)CC1 ZINC001158576802 815539195 /nfs/dbraw/zinc/53/91/95/815539195.db2.gz DQGPYLCZBWARGG-SDDRHHMPSA-N 2 0 285.363 -0.100 20 0 CBADRP [NH3+][C@H](C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1)C1CC[NH2+]CC1 ZINC001158579862 815539422 /nfs/dbraw/zinc/53/94/22/815539422.db2.gz YOXRFVYBMVMJSP-AVGNSLFASA-N 3 0 298.406 -0.151 20 0 CBADRP [NH3+][C@H](C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1)C1CC[NH2+]CC1 ZINC001158579861 815539472 /nfs/dbraw/zinc/53/94/72/815539472.db2.gz YOXRFVYBMVMJSP-AGIUHOORSA-N 3 0 298.406 -0.151 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)C1 ZINC001158576608 815539563 /nfs/dbraw/zinc/53/95/63/815539563.db2.gz CCPJKOXRIMNRTF-NAKRPEOUSA-N 2 0 270.352 -0.789 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158577059 815539763 /nfs/dbraw/zinc/53/97/63/815539763.db2.gz GDJVCKAMTCCDFA-BBBLOLIVSA-N 2 0 258.341 -0.802 20 0 CBADRP C[C@@H]1CN(C)[C@@H](C)CN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001158626682 815540968 /nfs/dbraw/zinc/54/09/68/815540968.db2.gz YGLPJNIZGDBZBH-TUAOUCFPSA-N 2 0 256.394 -0.006 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCCC(=O)CC1 ZINC001158672745 815543138 /nfs/dbraw/zinc/54/31/38/815543138.db2.gz ZMPSCKNOXPCUMZ-ZDUSSCGKSA-N 2 0 282.388 -0.682 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001118868351 812647102 /nfs/dbraw/zinc/64/71/02/812647102.db2.gz WDLCEFBUHUQGRU-TUAOUCFPSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001118868348 812647113 /nfs/dbraw/zinc/64/71/13/812647113.db2.gz WDLCEFBUHUQGRU-SDDRHHMPSA-N 2 0 282.388 -0.465 20 0 CBADRP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC001118896994 812656487 /nfs/dbraw/zinc/65/64/87/812656487.db2.gz ITPRDAIRAJOIJU-NJMOYASZSA-N 2 0 267.373 -0.003 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC001118903618 812657995 /nfs/dbraw/zinc/65/79/95/812657995.db2.gz UWHMTMREAXPUON-GRYCIOLGSA-N 2 0 284.404 -0.409 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001118920009 812661542 /nfs/dbraw/zinc/66/15/42/812661542.db2.gz SHJCJMGYEIOWRK-QNWHQSFQSA-N 2 0 296.415 -0.158 20 0 CBADRP CO[C@@H]1CN(c2ccc(OC3CC[NH2+]CC3)nn2)C[C@@H]1[NH3+] ZINC001158713122 815544652 /nfs/dbraw/zinc/54/46/52/815544652.db2.gz VHJXUWIQNNCHEJ-NWDGAFQWSA-N 2 0 293.371 -0.230 20 0 CBADRP CCN(CC[NH3+])C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001118921104 812663314 /nfs/dbraw/zinc/66/33/14/812663314.db2.gz JUZHRIQZIMIYBH-UHFFFAOYSA-N 2 0 268.321 -0.869 20 0 CBADRP CO[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)cn2)C[C@@H]1[NH3+] ZINC001158711858 815544887 /nfs/dbraw/zinc/54/48/87/815544887.db2.gz WEDCMYCCOFWBDQ-QWHCGFSZSA-N 2 0 277.372 -0.347 20 0 CBADRP [NH3+][C@H]1CN(c2ncnc3c2CC[NH2+]CC3)CC12COC2 ZINC001158765186 815546251 /nfs/dbraw/zinc/54/62/51/815546251.db2.gz VBVXTWQKQLSZJL-LBPRGKRZSA-N 2 0 275.356 -0.671 20 0 CBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H](C)[NH3+])CC2 ZINC001158891013 815550279 /nfs/dbraw/zinc/55/02/79/815550279.db2.gz SQRJABVJPBWPNK-LLVKDONJSA-N 2 0 282.388 -0.463 20 0 CBADRP [NH3+][C@H]1CN(c2ccc3c(n2)CC[NH2+]C3)CC12COC2 ZINC001158765137 815546375 /nfs/dbraw/zinc/54/63/75/815546375.db2.gz TYFCYGRIIQOHEG-LBPRGKRZSA-N 2 0 260.341 -0.109 20 0 CBADRP CONC(=O)C1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC001119066794 812704952 /nfs/dbraw/zinc/70/49/52/812704952.db2.gz SCJXHKFDEOSWSP-GFCCVEGCSA-N 2 0 283.372 -0.103 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)C1 ZINC001119236107 812727845 /nfs/dbraw/zinc/72/78/45/812727845.db2.gz WLWJLCDZGHTRPB-GMXVVIOVSA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@H]1C[C@H]2CN(C(=O)[C@@]34C[NH2+]C[C@H]3CCN4)CC[C@H]2O1 ZINC001158855181 815549079 /nfs/dbraw/zinc/54/90/79/815549079.db2.gz FNBFBWHRPCYPCU-RLPMIEJPSA-N 2 0 279.384 -0.036 20 0 CBADRP C[C@@H](Cn1cncn1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC001119237939 812728955 /nfs/dbraw/zinc/72/89/55/812728955.db2.gz RJDTWDILGMNBGT-ZDUSSCGKSA-N 2 0 266.393 -0.106 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001119241974 812730834 /nfs/dbraw/zinc/73/08/34/812730834.db2.gz QWAHUQXCZOCBEJ-VIFPVBQESA-N 2 0 266.349 -0.378 20 0 CBADRP CC[C@H]1COCCN1CCNC(=O)C1(C)C[NH2+]C1 ZINC001119244426 812731278 /nfs/dbraw/zinc/73/12/78/812731278.db2.gz GUGZTELEMRLILZ-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)c2c(C[NH3+])cnn2C)C[NH2+]1 ZINC001119243410 812731517 /nfs/dbraw/zinc/73/15/17/812731517.db2.gz RHLHGABZHKXWDA-SCZZXKLOSA-N 2 0 251.334 -0.251 20 0 CBADRP [NH3+]C1(CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CCOCC1 ZINC001119243847 812731784 /nfs/dbraw/zinc/73/17/84/812731784.db2.gz ZXPAQZYNRZSHNV-JQWIXIFHSA-N 2 0 253.346 -0.390 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C1=NO[C@@H](C[NH3+])C1)C2 ZINC001119244617 812732284 /nfs/dbraw/zinc/73/22/84/812732284.db2.gz HRYJRZMAYJIJRZ-YGOYTEALSA-N 2 0 252.318 -0.842 20 0 CBADRP Cn1ncnc1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC001119285155 812741895 /nfs/dbraw/zinc/74/18/95/812741895.db2.gz STTLYPHMNTVKSS-UHFFFAOYSA-N 2 0 266.393 -0.068 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC001119295948 812746256 /nfs/dbraw/zinc/74/62/56/812746256.db2.gz JNSDKYVADDYUOZ-QWHCGFSZSA-N 2 0 284.404 -0.754 20 0 CBADRP C[NH+]1CCN(c2ccc(NC[C@@H]3COCC[NH2+]3)nn2)CC1 ZINC001159037903 815555991 /nfs/dbraw/zinc/55/59/91/815555991.db2.gz TYTNDYZCIIYUHK-GFCCVEGCSA-N 2 0 292.387 -0.371 20 0 CBADRP [NH3+]CCOCC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001119324997 812755101 /nfs/dbraw/zinc/75/51/01/812755101.db2.gz NFEYUDOBMORBEZ-QMMMGPOBSA-N 2 0 251.277 -0.677 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001119324478 812756194 /nfs/dbraw/zinc/75/61/94/812756194.db2.gz GBEXSPZDXGXZGX-GXTWGEPZSA-N 2 0 267.373 -0.033 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1C ZINC001119348505 812762910 /nfs/dbraw/zinc/76/29/10/812762910.db2.gz BJKYBWIYHIMBTM-QNWHQSFQSA-N 2 0 294.399 -0.452 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1C ZINC001119348506 812762943 /nfs/dbraw/zinc/76/29/43/812762943.db2.gz BJKYBWIYHIMBTM-XQHKEYJVSA-N 2 0 294.399 -0.452 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC001119355457 812764336 /nfs/dbraw/zinc/76/43/36/812764336.db2.gz SHQVFYYLBBTNAO-BBBLOLIVSA-N 2 0 268.361 -0.903 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001119363406 812767875 /nfs/dbraw/zinc/76/78/75/812767875.db2.gz XZDUWVKCUKISOS-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC001119416085 812778438 /nfs/dbraw/zinc/77/84/38/812778438.db2.gz HTRWJHULXMPXBZ-DCAQKATOSA-N 2 0 256.350 -0.599 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001119480715 812791702 /nfs/dbraw/zinc/79/17/02/812791702.db2.gz XUBVQSXLAKDVDG-WHOHXGKFSA-N 2 0 268.361 -0.816 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC001119488801 812792866 /nfs/dbraw/zinc/79/28/66/812792866.db2.gz WUIBVNYOPINAMK-OUAUKWLOSA-N 2 0 256.350 -0.375 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC001119544443 812804352 /nfs/dbraw/zinc/80/43/52/812804352.db2.gz BGVQXGYNQDBNFH-NEPJUHHUSA-N 2 0 296.415 -0.408 20 0 CBADRP COC[C@@H]1CN(C(=O)[C@H]([NH3+])CCC[NH3+])Cc2cn(C)nc21 ZINC001159018292 815555605 /nfs/dbraw/zinc/55/56/05/815555605.db2.gz LEQGZGZFEYJIDL-NWDGAFQWSA-N 2 0 295.387 -0.442 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1C[C@H]([NH3+])CC(F)F ZINC001119611524 812833672 /nfs/dbraw/zinc/83/36/72/812833672.db2.gz UUYCTWZDDLCGLU-BDAKNGLRSA-N 2 0 265.304 -0.194 20 0 CBADRP Cn1nccc1[C@@H](O)CNC[C@H](O)C[N@H+](C)C1CC1 ZINC001120277601 812946296 /nfs/dbraw/zinc/94/62/96/812946296.db2.gz KNXNSMJSFAVLTJ-AAEUAGOBSA-N 2 0 268.361 -0.502 20 0 CBADRP CC[NH+]1CCN(CC[NH2+]C[C@H](O)C2(O)CCCC2)CC1 ZINC001120482324 812972137 /nfs/dbraw/zinc/97/21/37/812972137.db2.gz XVRRAGMUMKIVKT-AWEZNQCLSA-N 2 0 285.432 -0.121 20 0 CBADRP C[N@H+](CCCCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)C1CC1 ZINC001120515057 812979828 /nfs/dbraw/zinc/97/98/28/812979828.db2.gz NXYIISFFNDGNJG-HAQNSBGRSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC[N@@H+]1C ZINC001120517707 812980985 /nfs/dbraw/zinc/98/09/85/812980985.db2.gz UVZZOCXXYGERDA-UPJWGTAASA-N 2 0 296.415 -0.217 20 0 CBADRP [NH3+]CCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001120538500 812985396 /nfs/dbraw/zinc/98/53/96/812985396.db2.gz OKXXVWFSTDLVDH-QWRGUYRKSA-N 2 0 256.350 -0.814 20 0 CBADRP [NH3+]CCNC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001120538542 812985791 /nfs/dbraw/zinc/98/57/91/812985791.db2.gz PIOOSIOJOLOKGL-UHFFFAOYSA-N 2 0 257.382 -0.680 20 0 CBADRP C[NH2+]CCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001120542659 812987705 /nfs/dbraw/zinc/98/77/05/812987705.db2.gz NZOFHXADDUMWNA-OKILXGFUSA-N 3 0 295.431 -0.184 20 0 CBADRP [NH3+]C[C@@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CC1 ZINC001120543305 812987748 /nfs/dbraw/zinc/98/77/48/812987748.db2.gz XTVYIOZHHWESMW-QJPTWQEYSA-N 2 0 252.362 -0.025 20 0 CBADRP CCN1CCC[C@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001120569683 812992523 /nfs/dbraw/zinc/99/25/23/812992523.db2.gz GADPPHFXBFEIFK-GJZGRUSLSA-N 2 0 284.448 -0.331 20 0 CBADRP Cc1c(CC[NH3+])c(=O)[nH]n1-c1ncnc2c1CC[NH2+]C2 ZINC001159293672 815568442 /nfs/dbraw/zinc/56/84/42/815568442.db2.gz MKBFRSHPRXKJJW-UHFFFAOYSA-N 2 0 274.328 -0.177 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)C[C@H]1C(F)(F)F ZINC001120638684 813005463 /nfs/dbraw/zinc/00/54/63/813005463.db2.gz SPAQAMQHPCYDEX-BWZBUEFSSA-N 2 0 266.267 -0.121 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)NCC1([NH3+])CC1 ZINC001120666089 813008840 /nfs/dbraw/zinc/00/88/40/813008840.db2.gz ZUYYSSBAWJVBSB-JTQLQIEISA-N 2 0 256.350 -0.502 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001120671479 813011438 /nfs/dbraw/zinc/01/14/38/813011438.db2.gz YZVDULLZXGRVSM-DCAQKATOSA-N 2 0 256.350 -0.647 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001159335022 815570532 /nfs/dbraw/zinc/57/05/32/815570532.db2.gz OYUCFILTLYOYBC-NSHDSACASA-N 2 0 270.377 -0.558 20 0 CBADRP CN(CC[NH3+])CCNc1ncc2c(n1)CC[NH2+]C2 ZINC001159432543 815572962 /nfs/dbraw/zinc/57/29/62/815572962.db2.gz YBZKBEFYUOCDMN-UHFFFAOYSA-N 2 0 250.350 -0.575 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[C@@H](C[NH3+])C1 ZINC001121811358 813077666 /nfs/dbraw/zinc/07/76/66/813077666.db2.gz ZTKMAFYWGJLFHE-WOPDTQHZSA-N 2 0 252.362 -0.818 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)C1 ZINC001121891778 813083161 /nfs/dbraw/zinc/08/31/61/813083161.db2.gz BLFMFYMHTXVZCY-IJLUTSLNSA-N 2 0 252.362 -0.805 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC001121898416 813085497 /nfs/dbraw/zinc/08/54/97/813085497.db2.gz YKUZFAHZJXMFKF-USZNOCQGSA-N 2 0 257.378 -0.164 20 0 CBADRP C[C@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)CC[NH2+]1 ZINC001121898183 813086589 /nfs/dbraw/zinc/08/65/89/813086589.db2.gz VNHNGYFEYFFLKF-NSHDSACASA-N 2 0 255.362 -0.489 20 0 CBADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001121904175 813087441 /nfs/dbraw/zinc/08/74/41/813087441.db2.gz UNTBEHKFVQEBGV-RDBSUJKOSA-N 2 0 281.400 -0.195 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001121908830 813088247 /nfs/dbraw/zinc/08/82/47/813088247.db2.gz FEIKJIXGVCSLLQ-STQMWFEESA-N 2 0 296.415 -0.358 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])CO)c1ccsc1 ZINC001121903058 813088325 /nfs/dbraw/zinc/08/83/25/813088325.db2.gz BLAPTRNXRNXQBO-ZJUUUORDSA-N 2 0 257.359 -0.213 20 0 CBADRP CC[NH+]1CCC(CCNC(=O)CNCC[NH3+])CC1 ZINC001121923524 813090314 /nfs/dbraw/zinc/09/03/14/813090314.db2.gz MGNOYYSTBNKVJZ-UHFFFAOYSA-N 2 0 256.394 -0.227 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001121937517 813092850 /nfs/dbraw/zinc/09/28/50/813092850.db2.gz NFDDPSIZCCQMSL-OPRDCNLKSA-N 2 0 257.334 -0.476 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001121937514 813092878 /nfs/dbraw/zinc/09/28/78/813092878.db2.gz NFDDPSIZCCQMSL-LPEHRKFASA-N 2 0 257.334 -0.476 20 0 CBADRP C[C@]1(C(=O)N[C@@H](CC[NH3+])C(F)F)C[C@H](O)C[NH2+]1 ZINC001121943187 813095129 /nfs/dbraw/zinc/09/51/29/813095129.db2.gz HLNQNWIUMDUJTH-MHYGZLNHSA-N 2 0 251.277 -0.802 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC001121943875 813095238 /nfs/dbraw/zinc/09/52/38/813095238.db2.gz NGCNROUPAVLVQO-UTUOFQBUSA-N 2 0 257.378 -0.149 20 0 CBADRP C[N@H+](CCNC(=O)CNCC[NH3+])C1CCCCC1 ZINC001121983517 813100804 /nfs/dbraw/zinc/10/08/04/813100804.db2.gz KTUPFPUXLIGAJG-UHFFFAOYSA-N 2 0 256.394 -0.085 20 0 CBADRP C[C@H]1CCC[C@@](CNC(=O)[C@H]([NH3+])CO)([NH+](C)C)C1 ZINC001121988330 813100898 /nfs/dbraw/zinc/10/08/98/813100898.db2.gz JWWGAHRXWBFFFW-DMDPSCGWSA-N 2 0 257.378 -0.067 20 0 CBADRP C[NH+](C)CCOc1cccc(NC(=O)[C@H]([NH3+])CO)c1 ZINC001121983643 813101063 /nfs/dbraw/zinc/10/10/63/813101063.db2.gz OZZVRHLTWBYZQF-GFCCVEGCSA-N 2 0 267.329 -0.115 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)C1(C2CC[NH2+]CC2)CC1 ZINC001121987707 813101251 /nfs/dbraw/zinc/10/12/51/813101251.db2.gz AEFHIXHJABZAIK-GFCCVEGCSA-N 2 0 267.373 -0.129 20 0 CBADRP C[NH2+]C1CC(C(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC001121983848 813101355 /nfs/dbraw/zinc/10/13/55/813101355.db2.gz WFSFDZBVGDZRJI-UHFFFAOYSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001121999913 813102173 /nfs/dbraw/zinc/10/21/73/813102173.db2.gz AXBKHXATDZYDKM-AEJSXWLSSA-N 2 0 268.361 -0.951 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001121998131 813102745 /nfs/dbraw/zinc/10/27/45/813102745.db2.gz QPOCTQMJRPEQNF-QWHCGFSZSA-N 2 0 266.389 -0.510 20 0 CBADRP C[NH+](C)C1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001122010076 813104175 /nfs/dbraw/zinc/10/41/75/813104175.db2.gz JPDGLHJHAXJMOB-CYBMUJFWSA-N 2 0 296.415 -0.264 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001122024844 813106272 /nfs/dbraw/zinc/10/62/72/813106272.db2.gz DIRQQEFQVBDDBU-JTQLQIEISA-N 2 0 255.362 -0.049 20 0 CBADRP CC[N@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC001122024118 813106401 /nfs/dbraw/zinc/10/64/01/813106401.db2.gz XSBQPXLPXICJOZ-UHFFFAOYSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@]1(C(=O)NCCC[C@@H]2CCC[NH2+]2)C[C@@H](O)C[NH2+]1 ZINC001122023942 813106712 /nfs/dbraw/zinc/10/67/12/813106712.db2.gz ROCSNJIPPFBHDI-DMDPSCGWSA-N 2 0 255.362 -0.252 20 0 CBADRP COc1cccc([C@H]([NH3+])C(=O)NCC2(O)C[NH2+]C2)c1 ZINC001122054874 813110831 /nfs/dbraw/zinc/11/08/31/813110831.db2.gz BOMDEYIIGWMSFZ-NSHDSACASA-N 2 0 265.313 -0.855 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC2CC1(C[NH3+])C2 ZINC001122067714 813111719 /nfs/dbraw/zinc/11/17/19/813111719.db2.gz APWSWOSQVPMVFQ-ATWGWHJKSA-N 2 0 264.373 -0.676 20 0 CBADRP C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001122071511 813113112 /nfs/dbraw/zinc/11/31/12/813113112.db2.gz SLKKWJYOWGGERZ-NSHDSACASA-N 2 0 270.377 -0.748 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC001122075778 813113151 /nfs/dbraw/zinc/11/31/51/813113151.db2.gz NPOYAOKCPJUHNK-LLVKDONJSA-N 2 0 252.362 -0.756 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)C23CCC(CC2)[NH2+]3)CC1 ZINC001122073069 813113296 /nfs/dbraw/zinc/11/32/96/813113296.db2.gz BOPAYIWUFZAMPQ-UHFFFAOYSA-N 2 0 253.346 -0.417 20 0 CBADRP O=C(CC[C@H]1CC[NH2+]C1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001122094994 813115958 /nfs/dbraw/zinc/11/59/58/813115958.db2.gz VOBVEUMHCHMWSU-STQMWFEESA-N 2 0 269.389 -0.051 20 0 CBADRP C[NH2+]CCc1ccccc1C(=O)NCC1(O)C[NH2+]C1 ZINC001122136203 813122392 /nfs/dbraw/zinc/12/23/92/813122392.db2.gz HSPCGTZSRUGNDM-UHFFFAOYSA-N 2 0 263.341 -0.487 20 0 CBADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H](O)C[NH3+] ZINC001122149230 813125344 /nfs/dbraw/zinc/12/53/44/813125344.db2.gz SPGOYGSIUJWMEG-VIFPVBQESA-N 2 0 257.359 -0.141 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001122157021 813125557 /nfs/dbraw/zinc/12/55/57/813125557.db2.gz DSKDBPFDSQGIBS-FSDSQADBSA-N 2 0 255.240 -0.956 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)[C@]23CC[C@H]2C[NH2+]C3)CC1 ZINC001122157521 813125562 /nfs/dbraw/zinc/12/55/62/813125562.db2.gz NTXWMPKNZAKKCL-FZMZJTMJSA-N 2 0 266.389 -0.475 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)NCCN1CCC([NH3+])CC1 ZINC001122156802 813125815 /nfs/dbraw/zinc/12/58/15/813125815.db2.gz CIZFADDDHOFTPQ-LLVKDONJSA-N 2 0 254.378 -0.476 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC001122157085 813125862 /nfs/dbraw/zinc/12/58/62/813125862.db2.gz TUMUDDPPKUTSGJ-FPYNETTCSA-N 2 0 267.373 -0.254 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)[C@H]2[NH2+]CC23CCOCC3)C1 ZINC001122161544 813126202 /nfs/dbraw/zinc/12/62/02/813126202.db2.gz SVBVFGUXNQCPRZ-WDEREUQCSA-N 2 0 253.346 -0.295 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)[C@H]1[NH2+]CC12CCCC2 ZINC001122171073 813127102 /nfs/dbraw/zinc/12/71/02/813127102.db2.gz APYMCNCBRNIRED-WDEREUQCSA-N 2 0 253.346 -0.377 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001122171157 813127242 /nfs/dbraw/zinc/12/72/42/813127242.db2.gz CXNVLFAELANBAS-LPEHRKFASA-N 2 0 257.334 -0.476 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001122182192 813128923 /nfs/dbraw/zinc/12/89/23/813128923.db2.gz UWXAAGDMLMHNTH-RVMXOQNASA-N 2 0 296.415 -0.219 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC001122183893 813129104 /nfs/dbraw/zinc/12/91/04/813129104.db2.gz YLJMPVAAADVBJE-LOWVWBTDSA-N 2 0 255.362 -0.443 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])C(C)(C)O)CC[C@H]21 ZINC001122191462 813130377 /nfs/dbraw/zinc/13/03/77/813130377.db2.gz MMXMFICVKKQGKO-GMTAPVOTSA-N 2 0 255.362 -0.363 20 0 CBADRP [NH3+]CC[C@H]1CN(C(=O)C2(O)C[NH2+]C2)c2ccccc21 ZINC001122193752 813132007 /nfs/dbraw/zinc/13/20/07/813132007.db2.gz GQXGEBGHGOBEHN-JTQLQIEISA-N 2 0 261.325 -0.200 20 0 CBADRP CC[C@H]([NH3+])C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001122195185 813132104 /nfs/dbraw/zinc/13/21/04/813132104.db2.gz DNOOYKRTCXNSCW-ZJUUUORDSA-N 2 0 269.345 -0.475 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC001122205643 813132337 /nfs/dbraw/zinc/13/23/37/813132337.db2.gz NXGPDNYKJUYVIS-MBNYWOFBSA-N 2 0 267.373 -0.171 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001122205293 813132371 /nfs/dbraw/zinc/13/23/71/813132371.db2.gz FLBILQGSEIHRHP-AAEUAGOBSA-N 2 0 255.362 -0.312 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)C1 ZINC001122205275 813133272 /nfs/dbraw/zinc/13/32/72/813133272.db2.gz FDBAGYADCHUKOK-RTXFEEFZSA-N 2 0 253.346 -0.559 20 0 CBADRP CC(C)[C@H](C(=O)N1CCC[C@@]([NH3+])(CO)C1)[C@@H](C)[NH3+] ZINC001122206276 813134365 /nfs/dbraw/zinc/13/43/65/813134365.db2.gz WYYIIWPFWJXUHW-MDZLAQPJSA-N 2 0 257.378 -0.082 20 0 CBADRP C[C@H]([NH3+])CC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001122282869 813139325 /nfs/dbraw/zinc/13/93/25/813139325.db2.gz SSBAOBUVGASGFK-VHSXEESVSA-N 2 0 269.345 -0.475 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001122278497 813139434 /nfs/dbraw/zinc/13/94/34/813139434.db2.gz WOJSFFUCFSNADA-KBPBESRZSA-N 2 0 298.431 -0.458 20 0 CBADRP O=C(N1CCNCC[NH2+]CC1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001122288609 813140704 /nfs/dbraw/zinc/14/07/04/813140704.db2.gz LYMGIYRBVLYOMK-AAEUAGOBSA-N 2 0 252.362 -0.993 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CC[C@H]1C[NH3+] ZINC001122295096 813141735 /nfs/dbraw/zinc/14/17/35/813141735.db2.gz DDCUJCWWKOHVHR-WOPDTQHZSA-N 2 0 255.362 -0.192 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001122295868 813142064 /nfs/dbraw/zinc/14/20/64/813142064.db2.gz DINFPJRSAOWUQW-LLVKDONJSA-N 2 0 255.362 -0.001 20 0 CBADRP COC[C@@]1(C(=O)N2CC[C@H](CC[NH3+])C2)CC[NH2+]C1 ZINC001122294892 813142305 /nfs/dbraw/zinc/14/23/05/813142305.db2.gz ZXBAJUZMFKPZRA-WCQYABFASA-N 2 0 255.362 -0.190 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])=NO1 ZINC001122321125 813145999 /nfs/dbraw/zinc/14/59/99/813145999.db2.gz SKTHPPXQEJYXBW-VDDIYKPWSA-N 2 0 252.318 -0.570 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC001122333276 813147616 /nfs/dbraw/zinc/14/76/16/813147616.db2.gz XRQBKCPJMXJCQG-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP CN(C(=O)[C@H]([NH3+])CC(F)F)C1(C[NH3+])CCOCC1 ZINC001122354678 813151589 /nfs/dbraw/zinc/15/15/89/813151589.db2.gz DNWUNXQYPUXOLK-MRVPVSSYSA-N 2 0 265.304 -0.065 20 0 CBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1[NH2+]CC12CCOCC2 ZINC001122383523 813156147 /nfs/dbraw/zinc/15/61/47/813156147.db2.gz CPXYQIIEQARJHD-QCNOEVLYSA-N 2 0 265.357 -0.236 20 0 CBADRP O=C(CCC1C[NH2+]C1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001122386708 813157346 /nfs/dbraw/zinc/15/73/46/813157346.db2.gz LZBMGEKINFGQJG-UHFFFAOYSA-N 2 0 267.373 -0.035 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[NH2+]CCO1 ZINC001122384558 813157654 /nfs/dbraw/zinc/15/76/54/813157654.db2.gz ONSPDQUBBLDXDI-SBFPOUOMSA-N 2 0 269.345 -1.000 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[C@]12CC[NH2+]C2 ZINC001122410386 813161029 /nfs/dbraw/zinc/16/10/29/813161029.db2.gz BOAMSCTWEADHPR-DGCLKSJQSA-N 2 0 253.346 -0.281 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CCC[C@]12CC[NH2+]C2 ZINC001122410388 813161276 /nfs/dbraw/zinc/16/12/76/813161276.db2.gz BOAMSCTWEADHPR-WCQYABFASA-N 2 0 253.346 -0.281 20 0 CBADRP CC(C)([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001122442410 813165530 /nfs/dbraw/zinc/16/55/30/813165530.db2.gz OVPKVAOJWCUIJE-QWRGUYRKSA-N 2 0 255.362 -0.219 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1cncc(N2CC[NH2+]CC2)n1 ZINC001159786281 815594763 /nfs/dbraw/zinc/59/47/63/815594763.db2.gz XOPOTODUFABSOC-JTQLQIEISA-N 3 0 265.365 -0.678 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1ncnc2c1CC[NH2+]CC2 ZINC001159780030 815595077 /nfs/dbraw/zinc/59/50/77/815595077.db2.gz ODGMBXVXMZDMCD-LLVKDONJSA-N 3 0 250.350 -0.400 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@H]1C[NH2+]CC12CC2 ZINC001122498045 813170666 /nfs/dbraw/zinc/17/06/66/813170666.db2.gz JHSRDUIVWCRYSK-GWCFXTLKSA-N 2 0 253.346 -0.641 20 0 CBADRP C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@H]1C[N@H+](C)CCN1C ZINC001122540549 813174658 /nfs/dbraw/zinc/17/46/58/813174658.db2.gz FKGGQJCSDHYVGN-BZPMIXESSA-N 2 0 268.405 -0.121 20 0 CBADRP C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@H]1C[N@H+](C)CCN1C ZINC001122540552 813174968 /nfs/dbraw/zinc/17/49/68/813174968.db2.gz FKGGQJCSDHYVGN-SCRDCRAPSA-N 2 0 268.405 -0.121 20 0 CBADRP COC(=O)c1nc(Cl)cc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159789615 815595985 /nfs/dbraw/zinc/59/59/85/815595985.db2.gz WFLAOCZEPFMCMH-ZETCQYMHSA-N 2 0 273.724 -0.226 20 0 CBADRP Cc1nc(N[C@H]([NH3+])CCC[NH3+])cc(-n2cncn2)n1 ZINC001159788731 815595997 /nfs/dbraw/zinc/59/59/97/815595997.db2.gz LHAJWWOWCVBWLL-VIFPVBQESA-N 2 0 262.321 -0.199 20 0 CBADRP NS(=O)(=O)c1ccnc(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001159788415 815596119 /nfs/dbraw/zinc/59/61/19/815596119.db2.gz IDIFPHXBUJZNJA-MRVPVSSYSA-N 2 0 259.335 -0.835 20 0 CBADRP CCOC(=O)c1nccc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159788838 815596168 /nfs/dbraw/zinc/59/61/68/815596168.db2.gz NHYCPVVSHVWXAL-MRVPVSSYSA-N 2 0 253.306 -0.489 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH3+])C1 ZINC001122578113 813177614 /nfs/dbraw/zinc/17/76/14/813177614.db2.gz CSUOMXWZJOLEJP-TXEJJXNPSA-N 2 0 273.377 -0.423 20 0 CBADRP C[C@]1(C(=O)NC[C@@H]2CCC[NH2+]CC2)C[C@H](O)C[NH2+]1 ZINC001122582245 813177835 /nfs/dbraw/zinc/17/78/35/813177835.db2.gz YKGORWJAJBPFMA-NTZNESFSSA-N 2 0 255.362 -0.395 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1ncnc2c1NC(=O)CS2 ZINC001159787896 815596816 /nfs/dbraw/zinc/59/68/16/815596816.db2.gz DFICXHLJZUAYEF-ZCFIWIBFSA-N 2 0 268.346 -0.044 20 0 CBADRP CCNS(=O)(=O)c1ccc(N[C@@H]([NH3+])CCC[NH3+])nc1 ZINC001159786424 815596872 /nfs/dbraw/zinc/59/68/72/815596872.db2.gz AEOIWLFDNIVQRU-SNVBAGLBSA-N 2 0 287.389 -0.185 20 0 CBADRP CCNC(=O)c1ccc(N[C@@H]([NH3+])CCC[NH3+])nn1 ZINC001159789551 815596945 /nfs/dbraw/zinc/59/69/45/815596945.db2.gz VLSSQOYEYKZZFW-SECBINFHSA-N 2 0 252.322 -0.338 20 0 CBADRP C[NH+](C)C1(C(=O)NCCC[NH2+]CCOCCO)CCC1 ZINC001159853696 815600433 /nfs/dbraw/zinc/60/04/33/815600433.db2.gz ICDUGZOWJRPJOM-UHFFFAOYSA-N 2 0 287.404 -0.425 20 0 CBADRP CN(C)C(=O)C[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159854973 815601381 /nfs/dbraw/zinc/60/13/81/815601381.db2.gz YGHAZBJXZXTXPL-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP C[NH+](C)C1(C(=O)NCCC[NH2+]CCn2cncn2)CCC1 ZINC001159861424 815601538 /nfs/dbraw/zinc/60/15/38/815601538.db2.gz PELGCKZXOXOSSK-UHFFFAOYSA-N 2 0 294.403 -0.142 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC([NH+](C)C)C1 ZINC001123775514 813271259 /nfs/dbraw/zinc/27/12/59/813271259.db2.gz XJKBKEYJXAAYJW-CMPLNLGQSA-N 2 0 252.362 -0.853 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001124836578 813485241 /nfs/dbraw/zinc/48/52/41/813485241.db2.gz HCZNBKJSRFCPKC-NSHDSACASA-N 2 0 268.361 -0.981 20 0 CBADRP CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001124837319 813485980 /nfs/dbraw/zinc/48/59/80/813485980.db2.gz LTGAJOBKBDQTTD-LBPRGKRZSA-N 2 0 282.388 -0.593 20 0 CBADRP Cn1nccc1C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124837581 813486428 /nfs/dbraw/zinc/48/64/28/813486428.db2.gz OEBVBWPWSRIEOR-GFCCVEGCSA-N 2 0 265.361 -0.280 20 0 CBADRP CC(C)N1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001124867095 813489582 /nfs/dbraw/zinc/48/95/82/813489582.db2.gz RUGUWZLTCQPBSR-STQMWFEESA-N 2 0 296.415 -0.204 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCOC1 ZINC001124866354 813489984 /nfs/dbraw/zinc/48/99/84/813489984.db2.gz AUTGFAHBZNKTQE-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124872460 813491050 /nfs/dbraw/zinc/49/10/50/813491050.db2.gz GOSMDGUEOXPBLT-LBPRGKRZSA-N 2 0 280.376 -0.402 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001124872488 813491590 /nfs/dbraw/zinc/49/15/90/813491590.db2.gz HPOMKRJJLQEVTA-NSHDSACASA-N 2 0 268.361 -0.935 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124872534 813492214 /nfs/dbraw/zinc/49/22/14/813492214.db2.gz JFGUDJBWSRDEER-LLVKDONJSA-N 2 0 270.377 -0.689 20 0 CBADRP CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124872793 813492642 /nfs/dbraw/zinc/49/26/42/813492642.db2.gz MZDGGOUUNIEAJD-GFCCVEGCSA-N 2 0 294.403 -0.094 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124872710 813492680 /nfs/dbraw/zinc/49/26/80/813492680.db2.gz LUPFRFCGCGUASR-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124879540 813493611 /nfs/dbraw/zinc/49/36/11/813493611.db2.gz VVDSZOHIDLMNCZ-GFCCVEGCSA-N 2 0 299.419 -0.506 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC(C)(C)C ZINC001124879470 813493939 /nfs/dbraw/zinc/49/39/39/813493939.db2.gz UNTPJYSJPHAUDX-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124879118 813494140 /nfs/dbraw/zinc/49/41/40/813494140.db2.gz QBLCFMQJLMKFDV-NEPJUHHUSA-N 2 0 257.378 -0.053 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CCCC1 ZINC001124873510 813494159 /nfs/dbraw/zinc/49/41/59/813494159.db2.gz WHJGZVPZVUPDRV-CYBMUJFWSA-N 2 0 296.415 -0.155 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124873571 813495340 /nfs/dbraw/zinc/49/53/40/813495340.db2.gz YLXRQZUVTHQGRN-LLVKDONJSA-N 2 0 266.349 -0.885 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001127065664 813709634 /nfs/dbraw/zinc/70/96/34/813709634.db2.gz CUNUUECIHUJGKL-NEPJUHHUSA-N 2 0 282.388 -0.547 20 0 CBADRP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](C)O ZINC001127065598 813709802 /nfs/dbraw/zinc/70/98/02/813709802.db2.gz BUUYLMSQEGQTET-RYUDHWBXSA-N 2 0 257.378 -0.054 20 0 CBADRP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](C)O ZINC001127065596 813710144 /nfs/dbraw/zinc/71/01/44/813710144.db2.gz BUUYLMSQEGQTET-NEPJUHHUSA-N 2 0 257.378 -0.054 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cnnn1C ZINC001127067496 813710400 /nfs/dbraw/zinc/71/04/00/813710400.db2.gz YKUNCVFCBGPCHK-CYBMUJFWSA-N 2 0 294.403 -0.106 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127077669 813711852 /nfs/dbraw/zinc/71/18/52/813711852.db2.gz GVQTUYGUYHQQJP-NEPJUHHUSA-N 2 0 284.404 -0.301 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127077672 813711929 /nfs/dbraw/zinc/71/19/29/813711929.db2.gz GVQTUYGUYHQQJP-VXGBXAGGSA-N 2 0 284.404 -0.301 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256544 813721044 /nfs/dbraw/zinc/72/10/44/813721044.db2.gz OVMWIDXPFLZNJD-VXGBXAGGSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1)C(N)=O ZINC001127322797 813723814 /nfs/dbraw/zinc/72/38/14/813723814.db2.gz WCRJKXSCZSRIIL-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP Cn1cc(C[NH2+]CCNC(=O)[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001127475391 813731769 /nfs/dbraw/zinc/73/17/69/813731769.db2.gz UXYRAPJZWKMVRR-AWEZNQCLSA-N 2 0 291.399 -0.032 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475568 813731974 /nfs/dbraw/zinc/73/19/74/813731974.db2.gz VXZYRZIUPCEEDE-CYBMUJFWSA-N 2 0 296.415 -0.440 20 0 CBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)N1CCC1 ZINC001127474835 813732193 /nfs/dbraw/zinc/73/21/93/813732193.db2.gz PJBPFFGWYAXSCM-CYBMUJFWSA-N 2 0 294.399 -0.734 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475587 813733674 /nfs/dbraw/zinc/73/36/74/813733674.db2.gz WDNBRDKVHOGBPK-GFCCVEGCSA-N 2 0 282.388 -0.830 20 0 CBADRP CC[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127562549 813735790 /nfs/dbraw/zinc/73/57/90/813735790.db2.gz LXELSECMKXKKCZ-UHFFFAOYSA-N 2 0 253.350 -0.216 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@@H]2CCCN(C)C2=O)CC[N@@H+]1C ZINC001127637931 813740007 /nfs/dbraw/zinc/74/00/07/813740007.db2.gz CMJKIELJAAIBAP-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NCC2CC2)CC[N@@H+]1C ZINC001127685465 813741695 /nfs/dbraw/zinc/74/16/95/813741695.db2.gz OYZGMUPJXOMKDM-DGCLKSJQSA-N 2 0 296.415 -0.441 20 0 CBADRP CC(C)OCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127760321 813746822 /nfs/dbraw/zinc/74/68/22/813746822.db2.gz JEGHPCWXODIPLX-KGLIPLIRSA-N 2 0 299.415 -0.020 20 0 CBADRP O=C(NCC[NH2+]CCCF)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779925 813749581 /nfs/dbraw/zinc/74/95/81/813749581.db2.gz SXQWHARXLPWCRX-RYUDHWBXSA-N 2 0 273.352 -0.085 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)[C@H](F)C[NH+](CC)CC)C(N)=O ZINC001128539863 813779322 /nfs/dbraw/zinc/77/93/22/813779322.db2.gz MHHZHPPFDSJFIB-GHMZBOCLSA-N 2 0 290.383 -0.364 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCCO ZINC001128786815 813798690 /nfs/dbraw/zinc/79/86/90/813798690.db2.gz WIAHGWWBGYIKJF-ZDUSSCGKSA-N 2 0 287.404 -0.425 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001128786126 813799442 /nfs/dbraw/zinc/79/94/42/813799442.db2.gz RTDFJCBUKPRIDG-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP O=C(NCC[NH2+]CCCO)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364300 813838565 /nfs/dbraw/zinc/83/85/65/813838565.db2.gz RKZZHNXBKHLEPB-AWEZNQCLSA-N 2 0 299.415 -0.282 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129362738 813839164 /nfs/dbraw/zinc/83/91/64/813839164.db2.gz CGIJPJGEVOKSOU-ZDUSSCGKSA-N 2 0 285.388 -0.672 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129411242 813840619 /nfs/dbraw/zinc/84/06/19/813840619.db2.gz YCESJWIWFXWNOA-GFCCVEGCSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC(=O)N1CCC1)C1CC1 ZINC001129436563 813842622 /nfs/dbraw/zinc/84/26/22/813842622.db2.gz RAWJQRGAQQGNJT-ZDUSSCGKSA-N 2 0 282.388 -0.735 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129436537 813843176 /nfs/dbraw/zinc/84/31/76/813843176.db2.gz QSIGKLFEJIMJML-VXGBXAGGSA-N 2 0 273.377 -0.960 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129437024 813843236 /nfs/dbraw/zinc/84/32/36/813843236.db2.gz UTLPTUQBXYVTFQ-ZDUSSCGKSA-N 2 0 284.404 -0.443 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001129418989 813843967 /nfs/dbraw/zinc/84/39/67/813843967.db2.gz ZTGUHRZPLAITPK-QWHCGFSZSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C)C(N)=O ZINC001129444574 813845041 /nfs/dbraw/zinc/84/50/41/813845041.db2.gz VIWDDLPEWNRHKI-WDEREUQCSA-N 2 0 270.377 -0.704 20 0 CBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CCn1cncn1)C1CC1 ZINC001129444277 813846096 /nfs/dbraw/zinc/84/60/96/813846096.db2.gz PZXIZSWAVHEZLP-LBPRGKRZSA-N 2 0 280.376 -0.676 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001129531960 813849929 /nfs/dbraw/zinc/84/99/29/813849929.db2.gz NUSGHINTIQKNHT-SECBINFHSA-N 2 0 256.350 -0.950 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C[N@H+](C)C1CCC1)C(=O)NC1CC1 ZINC001129535395 813850765 /nfs/dbraw/zinc/85/07/65/813850765.db2.gz PROLCSCPKAYUQM-NSHDSACASA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C[N@H+](C)C1CCC1)C(=O)N(C)C ZINC001129532250 813850792 /nfs/dbraw/zinc/85/07/92/813850792.db2.gz WYANEIRKFKUHKN-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP C[N@H+](CC(=O)NCC[NH2+]CC(=O)N1CCCC1)C1CCC1 ZINC001129526743 813851053 /nfs/dbraw/zinc/85/10/53/813851053.db2.gz QBTYIQCNEWPFCV-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC001129839518 813871531 /nfs/dbraw/zinc/87/15/31/813871531.db2.gz AWROBTJDMYBMBZ-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947278 813881868 /nfs/dbraw/zinc/88/18/68/813881868.db2.gz RNLVEUMYVLXBHU-RYUDHWBXSA-N 2 0 275.393 -0.714 20 0 CBADRP CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129986546 813890597 /nfs/dbraw/zinc/89/05/97/813890597.db2.gz GELRIYROVSGNBV-OLZOCXBDSA-N 2 0 294.403 -0.019 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130166577 813914654 /nfs/dbraw/zinc/91/46/54/813914654.db2.gz IEUIAGWWLMNMIL-UHFFFAOYSA-N 2 0 282.388 -0.686 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001130171065 813914686 /nfs/dbraw/zinc/91/46/86/813914686.db2.gz FXYZLVRXLREKTK-LLVKDONJSA-N 2 0 282.388 -0.558 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130170235 813914768 /nfs/dbraw/zinc/91/47/68/813914768.db2.gz SNYLPFRSXWUOJQ-UHFFFAOYSA-N 2 0 268.361 -0.947 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130187515 813915753 /nfs/dbraw/zinc/91/57/53/813915753.db2.gz WZOCPRQYNLKJAP-GHMZBOCLSA-N 2 0 268.361 -0.806 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC1CC1)[NH+](C)C ZINC001130197377 813916820 /nfs/dbraw/zinc/91/68/20/813916820.db2.gz HIGQKNBUPWBBKB-GFCCVEGCSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+][C@H]1CCCNC1=O)[NH+](C)C ZINC001130203450 813918039 /nfs/dbraw/zinc/91/80/39/813918039.db2.gz MMYUTUMSBAWPEL-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)[NH+](C)C ZINC001130205078 813919228 /nfs/dbraw/zinc/91/92/28/813919228.db2.gz GBUHBJCYIUQNBH-LLVKDONJSA-N 2 0 293.433 -0.533 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCO ZINC001130232619 813920158 /nfs/dbraw/zinc/92/01/58/813920158.db2.gz XHVWTYWRNNKRGF-UHFFFAOYSA-N 2 0 273.377 -0.957 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130231679 813921068 /nfs/dbraw/zinc/92/10/68/813921068.db2.gz BYLRSFHAPDWLNS-GFCCVEGCSA-N 2 0 287.404 -0.569 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001130297145 813922601 /nfs/dbraw/zinc/92/26/01/813922601.db2.gz IPXHBCKQPHCVNB-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130297268 813922746 /nfs/dbraw/zinc/92/27/46/813922746.db2.gz JVWBTYBXDBVXLJ-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001130303406 813925096 /nfs/dbraw/zinc/92/50/96/813925096.db2.gz BMRGILUQYXHZJI-LBPRGKRZSA-N 2 0 280.376 -0.532 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CCn1cncn1 ZINC001130427341 813938463 /nfs/dbraw/zinc/93/84/63/813938463.db2.gz MAWRYVVUYLFDRV-UHFFFAOYSA-N 2 0 282.392 -0.286 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001130419032 813938802 /nfs/dbraw/zinc/93/88/02/813938802.db2.gz IRIOUGQASBNRNR-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)CCN(C)c1cc[nH+]cc1)C(N)=O ZINC001130558507 813952170 /nfs/dbraw/zinc/95/21/70/813952170.db2.gz BEJSALCGNSVSFM-LLVKDONJSA-N 2 0 293.371 -0.513 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001130711084 813967819 /nfs/dbraw/zinc/96/78/19/813967819.db2.gz MXXXWCLTZSUZSB-OLZOCXBDSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001130808587 813983633 /nfs/dbraw/zinc/98/36/33/813983633.db2.gz HNKYYUHCXPGZCE-JTQLQIEISA-N 2 0 268.361 -0.806 20 0 CBADRP O=C(NCC[NH2+]CCn1cncn1)C12CCC[NH+]1CCC2 ZINC001130809849 813984502 /nfs/dbraw/zinc/98/45/02/813984502.db2.gz JGAGDTXIYBRPTD-UHFFFAOYSA-N 2 0 292.387 -0.388 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1)C(N)=O ZINC001130874656 813988734 /nfs/dbraw/zinc/98/87/34/813988734.db2.gz IPCYQGVYLIYVLN-LBPRGKRZSA-N 2 0 289.339 -0.082 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130867839 813989258 /nfs/dbraw/zinc/98/92/58/813989258.db2.gz PZDNHMNFKWAUQS-UHFFFAOYSA-N 2 0 289.339 -0.210 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130874665 813990192 /nfs/dbraw/zinc/99/01/92/813990192.db2.gz JAWOVKXQDUKZPS-JTQLQIEISA-N 2 0 289.339 -0.212 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131370482 814024989 /nfs/dbraw/zinc/02/49/89/814024989.db2.gz LMURUYOSXLLFEZ-UHFFFAOYSA-N 2 0 299.338 -0.018 20 0 CBADRP COC[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131522134 814037683 /nfs/dbraw/zinc/03/76/83/814037683.db2.gz UFYDBWWEADTXPN-KLNSDEMFSA-N 2 0 297.399 -0.410 20 0 CBADRP CCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525783 814037783 /nfs/dbraw/zinc/03/77/83/814037783.db2.gz KCXSKIZFGHEACB-JVWICGRDSA-N 2 0 297.399 -0.408 20 0 CBADRP CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525978 814038026 /nfs/dbraw/zinc/03/80/26/814038026.db2.gz SSDOPWZWMXWGRQ-MBHSVXNSSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)C(N)=O ZINC001131789948 814069630 /nfs/dbraw/zinc/06/96/30/814069630.db2.gz BSRLBCUOKDVESO-OLZOCXBDSA-N 2 0 296.415 -0.170 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790002 814070357 /nfs/dbraw/zinc/07/03/57/814070357.db2.gz CRIFXVBPPGBOLI-ZIAGYGMSSA-N 2 0 299.415 -0.426 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]CCO)C1 ZINC001132738523 814183326 /nfs/dbraw/zinc/18/33/26/814183326.db2.gz GYMOEABAOBXFIM-LBPRGKRZSA-N 2 0 257.378 -0.194 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886128 814198118 /nfs/dbraw/zinc/19/81/18/814198118.db2.gz CWMSWOYAGPONDF-RWMBFGLXSA-N 2 0 287.404 -0.570 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CCN2CCCC2=O)CC1 ZINC001132995582 814205931 /nfs/dbraw/zinc/20/59/31/814205931.db2.gz ZADBZSYPVCODBI-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CCn2cncn2)CC1 ZINC001132995204 814206551 /nfs/dbraw/zinc/20/65/51/814206551.db2.gz NWMZMZCFUMTJIV-UHFFFAOYSA-N 2 0 280.376 -0.674 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001132995271 814207207 /nfs/dbraw/zinc/20/72/07/814207207.db2.gz PXAXDAJVUGUTEU-LLVKDONJSA-N 2 0 282.388 -0.735 20 0 CBADRP CN1CCC[C@H]([NH2+]CCNC(=O)CCC[NH+](C)C)C1=O ZINC001133040572 814211938 /nfs/dbraw/zinc/21/19/38/814211938.db2.gz XGFBXGQYUITTKD-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)CCC[NH+](C)C)C(N)=O ZINC001133051904 814212947 /nfs/dbraw/zinc/21/29/47/814212947.db2.gz UMQIRFYYILLQRA-SNVBAGLBSA-N 2 0 258.366 -0.702 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133092270 814215229 /nfs/dbraw/zinc/21/52/29/814215229.db2.gz ZZKPPHMNSGJTDY-STQMWFEESA-N 2 0 298.431 -0.242 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133092268 814216064 /nfs/dbraw/zinc/21/60/64/814216064.db2.gz ZZKPPHMNSGJTDY-OLZOCXBDSA-N 2 0 298.431 -0.242 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001133286106 814235094 /nfs/dbraw/zinc/23/50/94/814235094.db2.gz XJJPRIOSMOWASY-NSHDSACASA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CCN2CCNC2=O)CC1 ZINC001133287630 814236337 /nfs/dbraw/zinc/23/63/37/814236337.db2.gz KFKXRQOMYATHJB-UHFFFAOYSA-N 2 0 297.403 -0.941 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001133416032 814251876 /nfs/dbraw/zinc/25/18/76/814251876.db2.gz ZNJBHVGDRHIANB-CYBMUJFWSA-N 2 0 284.404 -0.489 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+]CCN1CCCC1=O)[NH+](C)C ZINC001133434499 814253787 /nfs/dbraw/zinc/25/37/87/814253787.db2.gz USEDFNDOFQYHAA-CQSZACIVSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C(N)=O ZINC001133433691 814254004 /nfs/dbraw/zinc/25/40/04/814254004.db2.gz AJKHNWMSQJYSGL-WDEREUQCSA-N 2 0 272.393 -0.458 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CC(N)=O)[NH+](CC)CC ZINC001133684926 814287005 /nfs/dbraw/zinc/28/70/05/814287005.db2.gz NSAHXBQRCNUDKP-SNVBAGLBSA-N 2 0 258.366 -0.702 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]C[C@H](O)COC)[NH+](CC)CC ZINC001133684165 814287733 /nfs/dbraw/zinc/28/77/33/814287733.db2.gz FBTQHWRYRRJPBN-QWHCGFSZSA-N 2 0 289.420 -0.180 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C)[NH+](CC)CC ZINC001133685297 814287905 /nfs/dbraw/zinc/28/79/05/814287905.db2.gz SGQFYIQPDDMHIM-GFCCVEGCSA-N 2 0 286.420 -0.099 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133819667 814299164 /nfs/dbraw/zinc/29/91/64/814299164.db2.gz KQLBHMTUGBCNND-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001133819844 814299729 /nfs/dbraw/zinc/29/97/29/814299729.db2.gz PNOVMVJZKFEFFI-MNOVXSKESA-N 2 0 268.361 -0.935 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001133819846 814300243 /nfs/dbraw/zinc/30/02/43/814300243.db2.gz PNOVMVJZKFEFFI-WDEREUQCSA-N 2 0 268.361 -0.935 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001133820035 814300311 /nfs/dbraw/zinc/30/03/11/814300311.db2.gz WBLRYJDXTRTTJR-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133823405 814301171 /nfs/dbraw/zinc/30/11/71/814301171.db2.gz FNXQJOCZASAIJA-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001133824003 814302694 /nfs/dbraw/zinc/30/26/94/814302694.db2.gz VQVRKXPADVTXBR-GFCCVEGCSA-N 2 0 297.403 -0.798 20 0 CBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133846294 814307147 /nfs/dbraw/zinc/30/71/47/814307147.db2.gz YECCYPKNSVKIPQ-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)NC1CC1 ZINC001133849638 814309628 /nfs/dbraw/zinc/30/96/28/814309628.db2.gz BDEMDBSMUUICQZ-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCc1ccnn1C ZINC001133862329 814311740 /nfs/dbraw/zinc/31/17/40/814311740.db2.gz CORSBCZGLLIIHH-JSGCOSHPSA-N 2 0 293.415 -0.134 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133863926 814312395 /nfs/dbraw/zinc/31/23/95/814312395.db2.gz RHPDXNLTYQAEBI-VXGBXAGGSA-N 2 0 284.404 -0.584 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001133866579 814313964 /nfs/dbraw/zinc/31/39/64/814313964.db2.gz NNCMHBCREGFQES-RYUDHWBXSA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cncn1C ZINC001133866724 814314434 /nfs/dbraw/zinc/31/44/34/814314434.db2.gz OFTIURDAXPZSOI-AAEUAGOBSA-N 2 0 279.388 -0.176 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001133864019 814316078 /nfs/dbraw/zinc/31/60/78/814316078.db2.gz SWRQQFSCPFXDBB-TZMCWYRMSA-N 2 0 293.415 -0.134 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133873354 814316835 /nfs/dbraw/zinc/31/68/35/814316835.db2.gz WGCHRNWXIGKUSI-UHFFFAOYSA-N 2 0 270.377 -0.830 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133869725 814317784 /nfs/dbraw/zinc/31/77/84/814317784.db2.gz KCMCXCFHBNYWOQ-OLZOCXBDSA-N 2 0 298.431 -0.242 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133870144 814318742 /nfs/dbraw/zinc/31/87/42/814318742.db2.gz QPZPZCMCTCWMRG-NEPJUHHUSA-N 2 0 284.404 -0.586 20 0 CBADRP C[N@H+](CC(=O)NCC[NH2+]CC(=O)NC1CC1)CC(C)(C)C ZINC001133899326 814320117 /nfs/dbraw/zinc/32/01/17/814320117.db2.gz CEGSRKKZYFIKGP-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001133893313 814321100 /nfs/dbraw/zinc/32/11/00/814321100.db2.gz CACJEJOVZCZNDZ-LLVKDONJSA-N 2 0 282.388 -0.687 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)CC1CC1)[NH+](C)C ZINC001133963157 814330531 /nfs/dbraw/zinc/33/05/31/814330531.db2.gz QVERJILYFMPQBO-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CCn1nc(C)nc1C)[NH+](C)C ZINC001133962640 814331855 /nfs/dbraw/zinc/33/18/55/814331855.db2.gz JIKGAHUETKQPKQ-ZDUSSCGKSA-N 2 0 296.419 -0.059 20 0 CBADRP C[C@H](O)C[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134020884 814340656 /nfs/dbraw/zinc/34/06/56/814340656.db2.gz JJKOBXRWOFUOEZ-STQMWFEESA-N 2 0 287.404 -0.426 20 0 CBADRP C[C@H](C(=O)NCC[NH2+]CC(N)=O)[NH+]1CCCCCC1 ZINC001134758115 814410799 /nfs/dbraw/zinc/41/07/99/814410799.db2.gz WKKZJBPFUPAICQ-LLVKDONJSA-N 2 0 270.377 -0.558 20 0 CBADRP C[C@@H](C(=O)NCC[NH2+][C@H]1CCNC1=O)[NH+]1CCCCCC1 ZINC001134756622 814411415 /nfs/dbraw/zinc/41/14/15/814411415.db2.gz GYSJASKDIIUREU-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](C(=O)NCC[NH2+][C@@H]1CCNC1=O)[NH+]1CCCCCC1 ZINC001134756621 814411738 /nfs/dbraw/zinc/41/17/38/814411738.db2.gz GYSJASKDIIUREU-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780775 814413226 /nfs/dbraw/zinc/41/32/26/814413226.db2.gz VZIUBORJGXPFOQ-UHFFFAOYSA-N 2 0 294.403 -0.247 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134776228 814413272 /nfs/dbraw/zinc/41/32/72/814413272.db2.gz NORLOZKPESKWSQ-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP C[NH+]1CCC(CC(=O)NCC[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001134780719 814413289 /nfs/dbraw/zinc/41/32/89/814413289.db2.gz SYGHVDQYKZSVSV-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135092650 814437630 /nfs/dbraw/zinc/43/76/30/814437630.db2.gz AIDKBLTYCISVNF-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135095683 814437843 /nfs/dbraw/zinc/43/78/43/814437843.db2.gz NTGKYQHXKBCFOO-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NCC[NH2+]CCCO)cn1 ZINC001135117858 814438852 /nfs/dbraw/zinc/43/88/52/814438852.db2.gz AIYRJKXZLQWBJC-UHFFFAOYSA-N 2 0 283.376 -0.854 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135337115 814461706 /nfs/dbraw/zinc/46/17/06/814461706.db2.gz SZYLPRVPFTUAEY-UHFFFAOYSA-N 2 0 292.383 -0.186 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCC1)C1CC1 ZINC001159914189 815604913 /nfs/dbraw/zinc/60/49/13/815604913.db2.gz BEXBGRJFKWZFLG-CQSZACIVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C)C(=O)N(C)C ZINC001159932245 815605822 /nfs/dbraw/zinc/60/58/22/815605822.db2.gz PJSAZNMCFTVDCU-YPMHNXCESA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C)C(=O)N(C)C ZINC001159932244 815606443 /nfs/dbraw/zinc/60/64/43/815606443.db2.gz PJSAZNMCFTVDCU-WCQYABFASA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)CC[NH+](C)C ZINC001135371810 814469999 /nfs/dbraw/zinc/46/99/99/814469999.db2.gz JGDFEFSBWVQPSL-NXEZZACHSA-N 2 0 258.366 -0.704 20 0 CBADRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]Cc1nnnn1C ZINC001135372119 814470325 /nfs/dbraw/zinc/47/03/25/814470325.db2.gz NIFHEHMXIQKGFS-MNOVXSKESA-N 2 0 297.407 -0.465 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135375733 814470719 /nfs/dbraw/zinc/47/07/19/814470719.db2.gz NQXBFRSALUSPRV-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C)C(N)=O ZINC001159931610 815606811 /nfs/dbraw/zinc/60/68/11/815606811.db2.gz GTTXOLUTOQNUGQ-RYUDHWBXSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)N(C)C ZINC001135511131 814480640 /nfs/dbraw/zinc/48/06/40/814480640.db2.gz JOSMZWMPQODFHN-UHFFFAOYSA-N 2 0 258.366 -0.878 20 0 CBADRP O=C([C@@H]1CC[NH2+]1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156463 815612324 /nfs/dbraw/zinc/61/23/24/815612324.db2.gz QBKGNTBNFRRLFS-XQQFMLRXSA-N 2 0 265.357 -0.330 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001160272469 815614357 /nfs/dbraw/zinc/61/43/57/815614357.db2.gz AVXNAJYWKYCWLL-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]CCO ZINC001160274814 815614371 /nfs/dbraw/zinc/61/43/71/815614371.db2.gz XIUNIXRBSJNGDS-LBPRGKRZSA-N 2 0 257.378 -0.051 20 0 CBADRP CC1CC[NH+](CC(=O)NCC[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001135703084 814512278 /nfs/dbraw/zinc/51/22/78/814512278.db2.gz WKUHJIJGTJSPNZ-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001160421454 815619381 /nfs/dbraw/zinc/61/93/81/815619381.db2.gz RMICRNDDEVZEIN-ZDUSSCGKSA-N 2 0 296.419 -0.003 20 0 CBADRP CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001160426937 815619750 /nfs/dbraw/zinc/61/97/50/815619750.db2.gz KKOIHNASFMRVTL-NEPJUHHUSA-N 2 0 284.404 -0.443 20 0 CBADRP CN(CCN1CC[NH+](C)CC1)Cc1cnc(N)nc1 ZINC001138166498 814602050 /nfs/dbraw/zinc/60/20/50/814602050.db2.gz VAVCFTLRMRVWGF-UHFFFAOYSA-N 2 0 264.377 -0.262 20 0 CBADRP Cc1nc(N[C@@H]2C[NH2+]C[C@@H]2CO)cc(N(C)C)[nH+]1 ZINC001159671641 815583510 /nfs/dbraw/zinc/58/35/10/815583510.db2.gz KDFMYGUKSJLEPD-NXEZZACHSA-N 2 0 251.334 -0.157 20 0 CBADRP C[NH+]1CC(C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC001142594584 814722547 /nfs/dbraw/zinc/72/25/47/814722547.db2.gz RTJPFHNRMKDCSK-UHFFFAOYSA-N 2 0 267.373 -0.129 20 0 CBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C2C[NH+](C)C2)O1 ZINC001142600433 814722959 /nfs/dbraw/zinc/72/29/59/814722959.db2.gz VGDPKPWKNZMDFU-WZRBSPASSA-N 2 0 271.361 -0.611 20 0 CBADRP C[NH+]1CCN(c2ccc(N[C@@H]3C[NH2+]C[C@@H]3CO)nn2)CC1 ZINC001159672694 815584836 /nfs/dbraw/zinc/58/48/36/815584836.db2.gz RRBBRFQJNXPSLW-VXGBXAGGSA-N 2 0 292.387 -0.779 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@@H]1Nc1nccc(C2CC[NH2+]CC2)n1 ZINC001159677763 815586610 /nfs/dbraw/zinc/58/66/10/815586610.db2.gz LXYHXSHHMDWOER-AAEUAGOBSA-N 2 0 277.372 -0.064 20 0 CBADRP CN1CC[NH+](CCC(=O)n2ccc(C[NH3+])cc2=N)CC1 ZINC001143236422 814764538 /nfs/dbraw/zinc/76/45/38/814764538.db2.gz FWTPWFYPHGARHK-UHFFFAOYSA-N 2 0 277.372 -0.296 20 0 CBADRP C[NH+]1CCN(CCC(=O)NC(=N)SCC[NH3+])CC1 ZINC001143236416 814765377 /nfs/dbraw/zinc/76/53/77/814765377.db2.gz FQCXFZJKQYMUSV-UHFFFAOYSA-N 2 0 273.406 -0.633 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CN1CCCC1=O ZINC001143249121 814766818 /nfs/dbraw/zinc/76/68/18/814766818.db2.gz JTJFUAUKCJPXMT-UHFFFAOYSA-N 2 0 255.322 -0.930 20 0 CBADRP CN(CC(=O)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1)C(N)=[NH2+] ZINC001144138001 814773600 /nfs/dbraw/zinc/77/36/00/814773600.db2.gz ZLIOMTUZDYAPNK-BXKDBHETSA-N 2 0 253.350 -0.778 20 0 CBADRP CCC[NH+]1CCC(NC(=O)CN(C)C(N)=[NH2+])CC1 ZINC001144143603 814773716 /nfs/dbraw/zinc/77/37/16/814773716.db2.gz QLLLEWQCNXTARR-UHFFFAOYSA-N 2 0 255.366 -0.198 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146339712 814837512 /nfs/dbraw/zinc/83/75/12/814837512.db2.gz MWZMRMPVWMQQCD-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001146595280 814841666 /nfs/dbraw/zinc/84/16/66/814841666.db2.gz YFEWQFUSQVUCRO-GHMZBOCLSA-N 2 0 272.393 -0.315 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001146709673 814843409 /nfs/dbraw/zinc/84/34/09/814843409.db2.gz ARWCSUKPUOHLQI-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001146719307 814845326 /nfs/dbraw/zinc/84/53/26/814845326.db2.gz POEMZGZCOBRQDU-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cccc(=O)[nH]1 ZINC001147305744 814887911 /nfs/dbraw/zinc/88/79/11/814887911.db2.gz HGWDUQMYFNCFGU-UHFFFAOYSA-N 2 0 251.290 -0.138 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147333782 814889462 /nfs/dbraw/zinc/88/94/62/814889462.db2.gz ZAOWDLCBBRMIFH-UHFFFAOYSA-N 2 0 296.415 -0.440 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)COCC[NH+](C)C)c1cnccn1 ZINC001147848078 814921120 /nfs/dbraw/zinc/92/11/20/814921120.db2.gz FHVIUJJZVNFJRZ-LBPRGKRZSA-N 2 0 295.387 -0.178 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147877565 814922044 /nfs/dbraw/zinc/92/20/44/814922044.db2.gz LQTZWKVSJOBZCL-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147878211 814922104 /nfs/dbraw/zinc/92/21/04/814922104.db2.gz VCSITMBETISWDK-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](O)CCC[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147885474 814922864 /nfs/dbraw/zinc/92/28/64/814922864.db2.gz MLNVKUDJXLPJJQ-LBPRGKRZSA-N 2 0 275.393 -0.569 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147877153 814922902 /nfs/dbraw/zinc/92/29/02/814922902.db2.gz DJKQBXKYMWPUPY-LBPRGKRZSA-N 2 0 284.404 -0.441 20 0 CBADRP CN1CCC[C@H]([NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001147884255 814923280 /nfs/dbraw/zinc/92/32/80/814923280.db2.gz CJTBARSMYXUARX-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001147885959 814923354 /nfs/dbraw/zinc/92/33/54/814923354.db2.gz QOCNZAKMDRISPM-GFCCVEGCSA-N 2 0 297.403 -0.941 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147878091 814923363 /nfs/dbraw/zinc/92/33/63/814923363.db2.gz RPVRHGVLDWNMBQ-LLVKDONJSA-N 2 0 270.377 -0.830 20 0 CBADRP CC[C@H](C[NH2+]CCNC(=O)COCC[NH+](C)C)OC ZINC001147884149 814923417 /nfs/dbraw/zinc/92/34/17/814923417.db2.gz ALAGWTGPZFDAOH-GFCCVEGCSA-N 2 0 275.393 -0.305 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001147886277 814923861 /nfs/dbraw/zinc/92/38/61/814923861.db2.gz SWTYZGBPYVCUQR-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147886582 814923921 /nfs/dbraw/zinc/92/39/21/814923921.db2.gz XZPZTGJQOKBMBB-NWDGAFQWSA-N 2 0 273.377 -0.959 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001159917510 815604066 /nfs/dbraw/zinc/60/40/66/815604066.db2.gz XYGOLOXAXIOGBT-VXGBXAGGSA-N 2 0 282.388 -0.689 20 0 CBADRP Cn1nncc1C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159916330 815604469 /nfs/dbraw/zinc/60/44/69/815604469.db2.gz QXVAFXYWCNMJBD-CYBMUJFWSA-N 2 0 294.403 -0.249 20 0 CBADRP COCCN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)C1CC[NH+](C)CC1 ZINC001160441190 815622203 /nfs/dbraw/zinc/62/22/03/815622203.db2.gz VJSFDMSVJIBUTM-STQMWFEESA-N 2 0 284.404 -0.898 20 0 CBADRP COCCN(C(=O)CN1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC001160438714 815622452 /nfs/dbraw/zinc/62/24/52/815622452.db2.gz BDNAXTPAZWKSAU-UHFFFAOYSA-N 2 0 298.431 -0.539 20 0 CBADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)cc1 ZINC001160443108 815622459 /nfs/dbraw/zinc/62/24/59/815622459.db2.gz DTOUGVHJSGXHEK-ZDUSSCGKSA-N 2 0 290.367 -0.325 20 0 CBADRP COCCN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)C1CC[NH+](C)CC1 ZINC001160441752 815622781 /nfs/dbraw/zinc/62/27/81/815622781.db2.gz XHGDAHNCYYUIGA-STQMWFEESA-N 2 0 285.388 -0.722 20 0 CBADRP C[C@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001160451681 815623741 /nfs/dbraw/zinc/62/37/41/815623741.db2.gz TYDLLDXWRWEMSA-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)CC1 ZINC001160459980 815624690 /nfs/dbraw/zinc/62/46/90/815624690.db2.gz UUXMORLNFKZBDB-BBATYDOGSA-N 2 0 275.418 -0.460 20 0 CBADRP Cc1cc(CN(C)C(=O)[C@@H]([NH3+])CCC[NH3+])n(C)n1 ZINC001160475075 815626498 /nfs/dbraw/zinc/62/64/98/815626498.db2.gz MKVHHGBNNYZWJQ-NSHDSACASA-N 2 0 253.350 -0.247 20 0 CBADRP Cc1cc(CN(C)C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n(C)n1 ZINC001160474654 815626739 /nfs/dbraw/zinc/62/67/39/815626739.db2.gz HTYSOYDQFOKHGQ-GFCCVEGCSA-N 2 0 277.372 -0.504 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCn2cccc2C1 ZINC001160476751 815628445 /nfs/dbraw/zinc/62/84/45/815628445.db2.gz MOUCRVFWGYBOPC-CQSZACIVSA-N 2 0 291.399 -0.419 20 0 CBADRP N[C@]1(C(=O)N2CC[NH+](C3CCOCC3)CC2)CCC[NH2+]C1 ZINC001160490701 815630060 /nfs/dbraw/zinc/63/00/60/815630060.db2.gz DKDWYAGRFIWWNL-OAHLLOKOSA-N 2 0 296.415 -0.610 20 0 CBADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490889 815630488 /nfs/dbraw/zinc/63/04/88/815630488.db2.gz LFOZNZMOXQVEFK-STQMWFEESA-N 2 0 283.372 -0.968 20 0 CBADRP [NH3+]C1CCN(C(=O)C2=NO[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001160511726 815631475 /nfs/dbraw/zinc/63/14/75/815631475.db2.gz SMQSAYIQPFZSKW-LBPRGKRZSA-N 2 0 252.318 -0.556 20 0 CBADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001160539623 815634017 /nfs/dbraw/zinc/63/40/17/815634017.db2.gz YPPCIESEBKXPBS-ZJUUUORDSA-N 3 0 278.360 -0.507 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001160537590 815634346 /nfs/dbraw/zinc/63/43/46/815634346.db2.gz NHLQVXLNUCJCFM-DOMZBBRYSA-N 2 0 280.416 -0.119 20 0 CBADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001160539512 815634397 /nfs/dbraw/zinc/63/43/97/815634397.db2.gz VWEXYRNVQKQNHY-KKZNHRDASA-N 2 0 276.344 -0.884 20 0 CBADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)CN1CC[NH2+]CC1 ZINC001160538967 815634433 /nfs/dbraw/zinc/63/44/33/815634433.db2.gz MCRDLWBGFQQBDU-NSHDSACASA-N 2 0 290.371 -0.668 20 0 CBADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001160539630 815634481 /nfs/dbraw/zinc/63/44/81/815634481.db2.gz YYAUCSLOBARSIO-HZMBPMFUSA-N 2 0 290.371 -0.492 20 0 CBADRP NC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001160547977 815635487 /nfs/dbraw/zinc/63/54/87/815635487.db2.gz BHDUUFYBGSBMFQ-MNOVXSKESA-N 2 0 280.372 -0.806 20 0 CBADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)C[C@@H]1COCC[NH2+]1 ZINC001160541596 815636182 /nfs/dbraw/zinc/63/61/82/815636182.db2.gz DIYMQIAZCPHKIK-MNOVXSKESA-N 2 0 291.355 -0.194 20 0 CBADRP CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001160578028 815639833 /nfs/dbraw/zinc/63/98/33/815639833.db2.gz RMOCOOFJZMXCAU-LBPRGKRZSA-N 2 0 296.415 -0.741 20 0 CBADRP CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CC1 ZINC001160578332 815640172 /nfs/dbraw/zinc/64/01/72/815640172.db2.gz WFQXZAMZDILBNK-RWMBFGLXSA-N 2 0 280.416 -0.121 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCN(CCF)CC1 ZINC001160629211 815644764 /nfs/dbraw/zinc/64/47/64/815644764.db2.gz JEJQOONTCFVFLH-JTQLQIEISA-N 2 0 278.397 -0.881 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001160640717 815649440 /nfs/dbraw/zinc/64/94/40/815649440.db2.gz MPNJRRVBUQRDRT-ZJUUUORDSA-N 2 0 270.333 -0.894 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160649987 815651986 /nfs/dbraw/zinc/65/19/86/815651986.db2.gz QBSWPSKGQVCWKS-GARJFASQSA-N 3 0 260.357 -0.270 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160647203 815652063 /nfs/dbraw/zinc/65/20/63/815652063.db2.gz ARLLJRBZPOQROO-AXFHLTTASA-N 3 0 260.357 -0.399 20 0 CBADRP CN(CCC1OCCO1)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160682090 815655483 /nfs/dbraw/zinc/65/54/83/815655483.db2.gz CRZIOQLOASPJHH-BXUZGUMPSA-N 2 0 283.372 -0.593 20 0 CBADRP CC(C)[C@@H]1COCCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160669924 815656071 /nfs/dbraw/zinc/65/60/71/815656071.db2.gz OJBHBFDRZSEFIO-RYUDHWBXSA-N 2 0 267.373 -0.321 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001160688068 815656877 /nfs/dbraw/zinc/65/68/77/815656877.db2.gz MNKZAXHJTDLIDL-JSGCOSHPSA-N 2 0 266.389 -0.508 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001160687728 815657832 /nfs/dbraw/zinc/65/78/32/815657832.db2.gz IMUNBEMXICTGAI-VOJFVSQTSA-N 2 0 275.418 -0.364 20 0 CBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)CNC1CC[NH2+]CC1 ZINC001160696066 815659157 /nfs/dbraw/zinc/65/91/57/815659157.db2.gz UBTTWYQZZVBWCZ-LBPRGKRZSA-N 2 0 268.405 -0.214 20 0 CBADRP CCN(CCn1cccn1)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160693509 815659425 /nfs/dbraw/zinc/65/94/25/815659425.db2.gz NPJRRSJSMAYIJR-NSHDSACASA-N 2 0 285.417 -0.249 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC001160705786 815661507 /nfs/dbraw/zinc/66/15/07/815661507.db2.gz RWKXZRXXPXMKLK-JGVFFNPUSA-N 2 0 269.267 -0.158 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(n2cnnc2)CC1 ZINC001160718322 815663133 /nfs/dbraw/zinc/66/31/33/815663133.db2.gz FJGKVMVNFBHZKQ-GFCCVEGCSA-N 2 0 290.371 -0.749 20 0 CBADRP [NH3+][C@H](C(=O)N1CCC(n2cnnc2)CC1)C1CC[NH2+]CC1 ZINC001160722671 815664096 /nfs/dbraw/zinc/66/40/96/815664096.db2.gz SADMOFNRAPWABC-ZDUSSCGKSA-N 2 0 292.387 -0.232 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)N1CC[NH+]2CCC1CC2 ZINC001160726559 815664589 /nfs/dbraw/zinc/66/45/89/815664589.db2.gz PWAVUNMDHLLIFV-UHFFFAOYSA-N 2 0 266.389 -0.365 20 0 CBADRP NC1(C(=O)N2CC[NH+]3CCC2CC3)CC[NH2+]CC1 ZINC001160726776 815665801 /nfs/dbraw/zinc/66/58/01/815665801.db2.gz UMVVCVOXLMXLSE-UHFFFAOYSA-N 2 0 252.362 -0.626 20 0 CBADRP C[C@@H]1CO[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]12 ZINC001160756463 815666988 /nfs/dbraw/zinc/66/69/88/815666988.db2.gz LSNRHGOEKPZFKS-DDHJBXDOSA-N 2 0 265.357 -0.711 20 0 CBADRP CCOC(=O)[C@]12CN(C(=O)[C@H]3CC[C@@H]3[NH3+])C[C@H]1C[NH2+]CC2 ZINC001160811637 815673178 /nfs/dbraw/zinc/67/31/78/815673178.db2.gz RDKDNGLZHBYMGK-OXJKWZBOSA-N 2 0 295.383 -0.275 20 0 CBADRP CCOC(=O)[C@]12CN(C(=O)C3([NH3+])CC3)C[C@H]1C[NH2+]CC2 ZINC001160811874 815673603 /nfs/dbraw/zinc/67/36/03/815673603.db2.gz WPZFCQRUUGSZPC-ZWNOBZJWSA-N 2 0 281.356 -0.521 20 0 CBADRP Nc1cccnc1N1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001160825982 815674588 /nfs/dbraw/zinc/67/45/88/815674588.db2.gz OSBYKXQSCNVRKB-LBPRGKRZSA-N 2 0 292.387 -0.621 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001160826260 815674618 /nfs/dbraw/zinc/67/46/18/815674618.db2.gz FWIHLVNPEVYWSC-UHFFFAOYSA-N 2 0 296.415 -0.296 20 0 CBADRP COC(=O)C[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001160833920 815676008 /nfs/dbraw/zinc/67/60/08/815676008.db2.gz VFSKHMMMJMSJIK-MNOVXSKESA-N 2 0 271.361 -0.146 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC001160839387 815676134 /nfs/dbraw/zinc/67/61/34/815676134.db2.gz PHKYGMZSCDVFEQ-YPMHNXCESA-N 2 0 255.362 -0.225 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC001160838763 815676409 /nfs/dbraw/zinc/67/64/09/815676409.db2.gz LVFLGJQCRSPLFQ-DGCLKSJQSA-N 2 0 255.362 -0.083 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(n2cccn2)CC1 ZINC001160845749 815677975 /nfs/dbraw/zinc/67/79/75/815677975.db2.gz HCNUUBPTIOFNRQ-ZDUSSCGKSA-N 2 0 289.383 -0.144 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001160883153 815684242 /nfs/dbraw/zinc/68/42/42/815684242.db2.gz FXZQNNBKYCHQOY-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001160883158 815684524 /nfs/dbraw/zinc/68/45/24/815684524.db2.gz FYZIRQQHWCKZBL-GFCCVEGCSA-N 2 0 286.420 -0.051 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001160883625 815685145 /nfs/dbraw/zinc/68/51/45/815685145.db2.gz QIHAPSBHKXRCLJ-WDEREUQCSA-N 2 0 298.387 -0.772 20 0 CBADRP COC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160909281 815687227 /nfs/dbraw/zinc/68/72/27/815687227.db2.gz RFHSEZNRQXPGHH-HNGCFSAESA-N 2 0 279.384 -0.036 20 0 CBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915853 815688697 /nfs/dbraw/zinc/68/86/97/815688697.db2.gz PHULEDRWLGXADU-URLYPYJESA-N 2 0 259.313 -0.753 20 0 CBADRP C[C@H]1CN(C)C(=O)CN1C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001160940825 815690463 /nfs/dbraw/zinc/69/04/63/815690463.db2.gz HDROFSAFLHEXLF-RYUDHWBXSA-N 2 0 284.404 -0.265 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@H]1[NH2+]CC[C@H]1O)C2 ZINC001160962241 815691480 /nfs/dbraw/zinc/69/14/80/815691480.db2.gz BLLYQXPZWAZSRG-HNCHTBHHSA-N 2 0 253.346 -0.881 20 0 CBADRP O=C(N1CC(O)([C@@H]2CCCC[NH2+]2)C1)[C@]12CC[C@@H]1C[NH2+]C2 ZINC001160999398 815692297 /nfs/dbraw/zinc/69/22/97/815692297.db2.gz CVFSYSXUUIBFOD-DYEKYZERSA-N 2 0 279.384 -0.299 20 0 CBADRP [NH3+][C@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CC(F)(F)C1 ZINC001160974108 815692818 /nfs/dbraw/zinc/69/28/18/815692818.db2.gz YJDWZHDKNQYSFP-RKDXNWHRSA-N 2 0 263.288 -0.440 20 0 CBADRP O=C(N1CC(O)([C@@H]2CCCC[NH2+]2)C1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001160999400 815692988 /nfs/dbraw/zinc/69/29/88/815692988.db2.gz CVFSYSXUUIBFOD-OBJOEFQTSA-N 2 0 279.384 -0.299 20 0 CBADRP [NH3+][C@H]1CN(C(=O)CNC2CC[NH2+]CC2)CC(F)(F)C1 ZINC001160968687 815693516 /nfs/dbraw/zinc/69/35/16/815693516.db2.gz UVSGMMVMSGGHAW-SECBINFHSA-N 2 0 276.331 -0.477 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160972659 815693554 /nfs/dbraw/zinc/69/35/54/815693554.db2.gz RNIDGHYCKONSCZ-PUERIAAYSA-N 2 0 283.344 -0.723 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160972980 815693594 /nfs/dbraw/zinc/69/35/94/815693594.db2.gz UNQIFUUITFQCPN-YUMQZZPRSA-N 3 0 282.360 -0.800 20 0 CBADRP O=C(C1CC[NH2+]CC1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001247 815694017 /nfs/dbraw/zinc/69/40/17/815694017.db2.gz XIPRFMJHGNPWCU-LBPRGKRZSA-N 2 0 267.373 -0.299 20 0 CBADRP O=C([C@@H]1CC2(CC2)C[NH2+]1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161006423 815694029 /nfs/dbraw/zinc/69/40/29/815694029.db2.gz CZLXTIDVRGLMOZ-RYUDHWBXSA-N 2 0 279.384 -0.156 20 0 CBADRP CC1(C)[C@H]2[C@@H]1C[NH2+][C@@H]2C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161006940 815694152 /nfs/dbraw/zinc/69/41/52/815694152.db2.gz HIICHXDXCZUWQB-CYDGBPFRSA-N 2 0 293.411 -0.054 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000274 815694562 /nfs/dbraw/zinc/69/45/62/815694562.db2.gz QQROZGUPYBSEKI-ZDUSSCGKSA-N 2 0 296.415 -0.957 20 0 CBADRP C[C@@]1(C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)CC[NH2+]C1 ZINC001161008054 815694706 /nfs/dbraw/zinc/69/47/06/815694706.db2.gz NKGIZNGBOIIPCO-WCQYABFASA-N 2 0 267.373 -0.299 20 0 CBADRP CC(C)OC1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161009651 815694756 /nfs/dbraw/zinc/69/47/56/815694756.db2.gz HBXWRYZMYKLYLZ-NSHDSACASA-N 2 0 253.346 -0.569 20 0 CBADRP CC(C)OC1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161010649 815694785 /nfs/dbraw/zinc/69/47/85/815694785.db2.gz YLLNULGZKOWZSO-ZDUSSCGKSA-N 2 0 284.404 -0.627 20 0 CBADRP CC(C)OC1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001161009929 815694856 /nfs/dbraw/zinc/69/48/56/815694856.db2.gz KHHYTRDHAYVWEF-BXUZGUMPSA-N 2 0 267.373 -0.179 20 0 CBADRP [NH3+][C@H](C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1)C1CC[NH2+]CC1 ZINC001161009743 815694920 /nfs/dbraw/zinc/69/49/20/815694920.db2.gz XSJNWTYXWFPHOQ-OLZOCXBDSA-N 3 0 296.415 -0.971 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161008382 815694965 /nfs/dbraw/zinc/69/49/65/815694965.db2.gz NVFOFPXXVLBAHO-NEPJUHHUSA-N 2 0 281.400 -0.053 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC001161017130 815695967 /nfs/dbraw/zinc/69/59/67/815695967.db2.gz GZADTFPJELQMPQ-VWYCJHECSA-N 2 0 268.361 -0.855 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)CC[NH2+]1 ZINC001161015938 815695985 /nfs/dbraw/zinc/69/59/85/815695985.db2.gz MLEYOFSQIFNDCX-NOOOWODRSA-N 2 0 253.346 -0.426 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001161015485 815696153 /nfs/dbraw/zinc/69/61/53/815696153.db2.gz FDQUQEWDMJKCTB-AGIUHOORSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC[NH2+]1 ZINC001161015430 815696346 /nfs/dbraw/zinc/69/63/46/815696346.db2.gz BWBPKMABOKQIFC-VXGBXAGGSA-N 3 0 266.389 -0.319 20 0 CBADRP NC(=S)C1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001161030755 815699658 /nfs/dbraw/zinc/69/96/58/815699658.db2.gz HNLRADVXWMZTKM-SNVBAGLBSA-N 2 0 282.413 -0.680 20 0 CBADRP CC(=O)[C@H]1CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161037960 815701249 /nfs/dbraw/zinc/70/12/49/815701249.db2.gz CEJFHZQSCJGEHL-NWDGAFQWSA-N 2 0 253.346 -0.249 20 0 CBADRP Cn1ncc(C[NH2+]CCCNC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001161040803 815701694 /nfs/dbraw/zinc/70/16/94/815701694.db2.gz CTYGNDULAHWDNT-CYBMUJFWSA-N 2 0 294.403 -0.105 20 0 CBADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@]2(N)CC[NH2+]C2)C1 ZINC001161050057 815702894 /nfs/dbraw/zinc/70/28/94/815702894.db2.gz KIONQWBNVPHWEZ-YPMHNXCESA-N 2 0 254.378 -0.382 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001161043023 815704278 /nfs/dbraw/zinc/70/42/78/815704278.db2.gz WNSUJQHGUBNBMR-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP CN(C(=O)[C@]1(N)CCC[NH2+]C1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161062873 815704965 /nfs/dbraw/zinc/70/49/65/815704965.db2.gz KXRLGIYKVZEDOV-GVXVVHGQSA-N 2 0 254.378 -0.204 20 0 CBADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001161050385 815704996 /nfs/dbraw/zinc/70/49/96/815704996.db2.gz MPPAZXNWTHQBDG-CHWSQXEVSA-N 2 0 296.415 -0.742 20 0 CBADRP CN(C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2)[C@H]1CCCC[C@H]1[NH3+] ZINC001161060777 815705274 /nfs/dbraw/zinc/70/52/74/815705274.db2.gz CWZFKWWWWWWIPJ-SSKLVLDBSA-N 2 0 266.389 -0.064 20 0 CBADRP CN(C(=O)[C@@H]1COC2(C[NH2+]C2)CN1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161058531 815705374 /nfs/dbraw/zinc/70/53/74/815705374.db2.gz XGEQWXXAJQKIGC-SDDRHHMPSA-N 2 0 282.388 -0.955 20 0 CBADRP CN(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161058546 815705585 /nfs/dbraw/zinc/70/55/85/815705585.db2.gz XSBSOUMQKUDRGX-SDDRHHMPSA-N 3 0 266.389 -0.476 20 0 CBADRP CN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2CCCC[N@@H+]2C)C1=O ZINC001161052920 815706149 /nfs/dbraw/zinc/70/61/49/815706149.db2.gz PFTIFLQRUNCOKZ-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C1(C)CC[NH2+]CC1 ZINC001161072871 815706676 /nfs/dbraw/zinc/70/66/76/815706676.db2.gz HUPVOTCYZRSSPY-CYBMUJFWSA-N 3 0 297.447 -0.663 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C1(C)CC[NH2+]CC1 ZINC001161073793 815706916 /nfs/dbraw/zinc/70/69/16/815706916.db2.gz SLDCTUIYQLTFJY-YPMLDQLKSA-N 2 0 275.418 -0.317 20 0 CBADRP CN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])[C@@H]1CCCC[C@H]1[NH3+] ZINC001161063868 815706929 /nfs/dbraw/zinc/70/69/29/815706929.db2.gz NXJPHZXUBLFQDR-UTUOFQBUSA-N 2 0 282.388 -0.336 20 0 CBADRP CN(C(=O)C1(N)CC[NH2+]CC1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161064959 815707284 /nfs/dbraw/zinc/70/72/84/815707284.db2.gz UGRAJCKQLWISQT-WDEREUQCSA-N 2 0 254.378 -0.204 20 0 CBADRP CN(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C1(C)CC[NH2+]CC1 ZINC001161067613 815707325 /nfs/dbraw/zinc/70/73/25/815707325.db2.gz KDOHRHVNXJDYCY-NSHDSACASA-N 3 0 266.389 -0.604 20 0 CBADRP CN(C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2)C1(C)CC[NH2+]CC1 ZINC001161066960 815707674 /nfs/dbraw/zinc/70/76/74/815707674.db2.gz FBWDQTHLVMKYIG-GYSYKLTISA-N 2 0 266.389 -0.191 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C[C@@H]21 ZINC001161081687 815708962 /nfs/dbraw/zinc/70/89/62/815708962.db2.gz LRLNPTDFAHBQJE-UPJWGTAASA-N 3 0 278.400 -0.652 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@H]21 ZINC001161080949 815709017 /nfs/dbraw/zinc/70/90/17/815709017.db2.gz AAQZPOCFHJEGCX-SDDRHHMPSA-N 3 0 286.445 -0.442 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3cnc[nH]3)C[C@H]21 ZINC001161081354 815709242 /nfs/dbraw/zinc/70/92/42/815709242.db2.gz ITJSUPIDGDNUIN-WCFLWFBJSA-N 2 0 277.372 -0.168 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C[C@H]21 ZINC001161081221 815709664 /nfs/dbraw/zinc/70/96/64/815709664.db2.gz HNKNBYPAOQJPMN-DSJMHWKBSA-N 3 0 292.427 -0.262 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C3(N)CC[NH2+]CC3)C[C@@H]21 ZINC001161080988 815710304 /nfs/dbraw/zinc/71/03/04/815710304.db2.gz AUZHPRYCABPCQD-NEPJUHHUSA-N 2 0 266.389 -0.380 20 0 CBADRP COC(=O)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCC[NH3+])[C@@H]1C ZINC001161117496 815717241 /nfs/dbraw/zinc/71/72/41/815717241.db2.gz LROHSQPDGQIOSY-MXWKQRLJSA-N 2 0 271.361 -0.147 20 0 CBADRP CC(=O)N1CCC[C@H](N(C)C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161132330 815719273 /nfs/dbraw/zinc/71/92/73/815719273.db2.gz YELDNTSVEGYUER-QWHCGFSZSA-N 2 0 294.399 -0.735 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1C[NH2+]CC[C@H]1C ZINC001161158544 815723030 /nfs/dbraw/zinc/72/30/30/815723030.db2.gz WOMAQMPXMMWWEK-VXGBXAGGSA-N 2 0 285.388 -0.028 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1C[NH2+]CC1(C)C ZINC001161159019 815723330 /nfs/dbraw/zinc/72/33/30/815723330.db2.gz RREFHPDCOUIBOQ-LLVKDONJSA-N 2 0 285.388 -0.028 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001161158232 815723819 /nfs/dbraw/zinc/72/38/19/815723819.db2.gz RUCMESQTOQRPFG-WDEREUQCSA-N 2 0 289.351 -0.326 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@]3(N)CCC[NH2+]C3)C[C@H]2C1 ZINC001161174714 815724337 /nfs/dbraw/zinc/72/43/37/815724337.db2.gz CZYZAPYCYLWJDS-UMVBOHGHSA-N 2 0 280.416 -0.133 20 0 CBADRP CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)C[C@@H]2C1 ZINC001161174779 815724556 /nfs/dbraw/zinc/72/45/56/815724556.db2.gz FKXZIMCNOBLJDG-RVMXOQNASA-N 2 0 266.389 -0.524 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@]3(N)CCC[NH2+]C3)C[C@H]2C1 ZINC001161174715 815724697 /nfs/dbraw/zinc/72/46/97/815724697.db2.gz CZYZAPYCYLWJDS-VNHYZAJKSA-N 2 0 280.416 -0.133 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@H]2C1 ZINC001161175281 815724839 /nfs/dbraw/zinc/72/48/39/815724839.db2.gz KEWCUYOHSACMRZ-UPJWGTAASA-N 3 0 268.405 -0.147 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161208119 815727503 /nfs/dbraw/zinc/72/75/03/815727503.db2.gz HWTPYMZRLXKTKM-ZDUSSCGKSA-N 2 0 268.405 -0.099 20 0 CBADRP O=C([C@H]1C[NH2+]C[C@@H]1O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161207641 815727519 /nfs/dbraw/zinc/72/75/19/815727519.db2.gz BNWQHQDIIADGDW-KBPBESRZSA-N 2 0 281.400 -0.195 20 0 CBADRP N[C@]1(C(=O)N2CCC(C3CC[NH2+]CC3)CC2)CC[NH2+]C1 ZINC001161208469 815727597 /nfs/dbraw/zinc/72/75/97/815727597.db2.gz TZXKUZZNLOIASH-OAHLLOKOSA-N 2 0 280.416 -0.085 20 0 CBADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161207644 815727837 /nfs/dbraw/zinc/72/78/37/815727837.db2.gz BNWQHQDIIADGDW-ZIAGYGMSSA-N 2 0 281.400 -0.195 20 0 CBADRP CN(C(=O)CCCCNC(N)=[NH2+])[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161220709 815728707 /nfs/dbraw/zinc/72/87/07/815728707.db2.gz GJPPEEPYLZIBSL-JZYVYDRUSA-N 2 0 253.350 -0.684 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161220556 815728794 /nfs/dbraw/zinc/72/87/94/815728794.db2.gz CYRVJUMBOJPPQQ-ROHXPCBUSA-N 2 0 281.356 -0.939 20 0 CBADRP C[NH2+][C@H]1CCCN(CC(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)C1 ZINC001161231309 815730099 /nfs/dbraw/zinc/73/00/99/815730099.db2.gz HLULTUDGGLSTEG-AVGNSLFASA-N 2 0 268.405 -0.121 20 0 CBADRP CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161221769 815730106 /nfs/dbraw/zinc/73/01/06/815730106.db2.gz PLFGGLOPGMHGJL-MEWQQHAOSA-N 3 0 254.378 -0.491 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC ZINC001161226980 815730654 /nfs/dbraw/zinc/73/06/54/815730654.db2.gz SBQTWDYSYWYOKB-NSHDSACASA-N 2 0 286.420 -0.053 20 0 CBADRP C[C@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@@H]3CCO[C@@H]32)C[C@H](C)[NH2+]1 ZINC001161231997 815730734 /nfs/dbraw/zinc/73/07/34/815730734.db2.gz WWGDJHQDMLWOAC-NWBUJAPZSA-N 2 0 267.373 -0.180 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCC[C@@H](n2ccnn2)C1)C1CC[NH2+]CC1 ZINC001161235066 815732294 /nfs/dbraw/zinc/73/22/94/815732294.db2.gz MVFOZGZVCNVVHD-CHWSQXEVSA-N 2 0 292.387 -0.232 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161246871 815733493 /nfs/dbraw/zinc/73/34/93/815733493.db2.gz RAVBWUIOWPPAJW-AAEUAGOBSA-N 2 0 288.367 -0.481 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161245901 815734055 /nfs/dbraw/zinc/73/40/55/815734055.db2.gz HKQKJUXDYFDIJC-AAEUAGOBSA-N 3 0 274.384 -0.055 20 0 CBADRP CN(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161288340 815736492 /nfs/dbraw/zinc/73/64/92/815736492.db2.gz GTIDHQAIAGZOER-NEPJUHHUSA-N 2 0 299.419 -0.295 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161273891 815737311 /nfs/dbraw/zinc/73/73/11/815737311.db2.gz JNTJFKWQLCPQKG-KBPBESRZSA-N 2 0 291.399 -0.162 20 0 CBADRP CCN(C(=O)[C@@H]1NC(=O)CC12C[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC001161332371 815741487 /nfs/dbraw/zinc/74/14/87/815741487.db2.gz MNLACEMIMRGCMB-JQWIXIFHSA-N 2 0 280.372 -0.935 20 0 CBADRP CCN(C(=O)[C@H]1NC(=O)CC12C[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001161332373 815741619 /nfs/dbraw/zinc/74/16/19/815741619.db2.gz MNLACEMIMRGCMB-ZYHUDNBSSA-N 2 0 280.372 -0.935 20 0 CBADRP CCN(C(=O)[C@@H]1C[NH2+]CCC1=O)[C@@H]1CCC[NH2+]C1 ZINC001161330326 815741791 /nfs/dbraw/zinc/74/17/91/815741791.db2.gz MAVDBXKBRJMNMX-GHMZBOCLSA-N 2 0 253.346 -0.235 20 0 CBADRP CCN(C(=O)C[C@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]C1 ZINC001161329339 815741810 /nfs/dbraw/zinc/74/18/10/815741810.db2.gz APOSSECGMOJEOC-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP CCN(C(=O)[C@H]1C[NH2+]CCC1=O)[C@@H]1CCC[NH2+]C1 ZINC001161330327 815741894 /nfs/dbraw/zinc/74/18/94/815741894.db2.gz MAVDBXKBRJMNMX-MNOVXSKESA-N 2 0 253.346 -0.235 20 0 CBADRP CCN(C(=O)CNC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001161333625 815743321 /nfs/dbraw/zinc/74/33/21/815743321.db2.gz VKWANRLMANTJTE-CYBMUJFWSA-N 2 0 268.405 -0.072 20 0 CBADRP CCN(C(=O)C[C@@H]1COCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161337853 815744415 /nfs/dbraw/zinc/74/44/15/815744415.db2.gz APRPQFLKACNLJA-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC001161342150 815745324 /nfs/dbraw/zinc/74/53/24/815745324.db2.gz ZJDZYRCEAGZQEY-ZIAGYGMSSA-N 3 0 297.447 -0.663 20 0 CBADRP CCOC(=O)C1(C(=O)N(C(C)C)[C@H]2CC[NH2+]C2)C[NH2+]C1 ZINC001161352481 815745551 /nfs/dbraw/zinc/74/55/51/815745551.db2.gz BRDVWVKFOHZRSM-NSHDSACASA-N 2 0 283.372 -0.262 20 0 CBADRP CC(C)N(C(=O)[C@@H]([NH3+])CC[S@](C)=O)[C@H]1CC[NH2+]C1 ZINC001161352515 815745899 /nfs/dbraw/zinc/74/58/99/815745899.db2.gz CENGVYKQHQYJFF-FHGNATFXSA-N 2 0 275.418 -0.319 20 0 CBADRP CCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001161340138 815746212 /nfs/dbraw/zinc/74/62/12/815746212.db2.gz PECYIOIMCFFAAH-CHWSQXEVSA-N 3 0 268.405 -0.086 20 0 CBADRP CCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161340224 815746294 /nfs/dbraw/zinc/74/62/94/815746294.db2.gz QBRUVBOORTUKNH-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)[C@H]1CCC[NH2+]C1 ZINC001161342147 815746358 /nfs/dbraw/zinc/74/63/58/815746358.db2.gz ZJDZYRCEAGZQEY-UONOGXRCSA-N 3 0 297.447 -0.663 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N(C(C)C)[C@H]1CC[NH2+]C1 ZINC001161353134 815746438 /nfs/dbraw/zinc/74/64/38/815746438.db2.gz MNBCUYAPEYZWBH-YNEHKIRRSA-N 2 0 297.399 -0.016 20 0 CBADRP COC(=O)[C@@]1(C)COCCN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001161371132 815746939 /nfs/dbraw/zinc/74/69/39/815746939.db2.gz AYMIJDUQWPLCGV-BXUZGUMPSA-N 2 0 299.371 -0.896 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161387141 815748197 /nfs/dbraw/zinc/74/81/97/815748197.db2.gz ALSNMJXHPICDST-KBPBESRZSA-N 3 0 298.431 -0.234 20 0 CBADRP N[C@]1(C(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)CC[NH2+]C1 ZINC001161387821 815748309 /nfs/dbraw/zinc/74/83/09/815748309.db2.gz FFOVHFPSULPDHA-GXTWGEPZSA-N 2 0 282.388 -1.000 20 0 CBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161380467 815748470 /nfs/dbraw/zinc/74/84/70/815748470.db2.gz KKTYYWHOQCXZIV-JHJVBQTASA-N 2 0 283.372 -0.968 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161382499 815748489 /nfs/dbraw/zinc/74/84/89/815748489.db2.gz ZILDCKGKBWXSGO-RYUDHWBXSA-N 2 0 271.361 -0.981 20 0 CBADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@H]3CC[NH2+]C[C@@H]3F)C2)CC1 ZINC001161376790 815748815 /nfs/dbraw/zinc/74/88/15/815748815.db2.gz DFFHKRJFESULHD-RDBSUJKOSA-N 2 0 298.406 -0.042 20 0 CBADRP N[C@]1(C(=O)N2CC[C@@H](N3CCC([NH3+])CC3)C2)CCC[NH2+]C1 ZINC001161378241 815748861 /nfs/dbraw/zinc/74/88/61/815748861.db2.gz KXMLBCBSZADGNG-UKRRQHHQSA-N 2 0 295.431 -0.909 20 0 CBADRP C[NH2+]CCC(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161377973 815748870 /nfs/dbraw/zinc/74/88/70/815748870.db2.gz JVJBELWBLDYSEM-GFCCVEGCSA-N 2 0 254.378 -0.380 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161382500 815748957 /nfs/dbraw/zinc/74/89/57/815748957.db2.gz ZILDCKGKBWXSGO-VXGBXAGGSA-N 2 0 271.361 -0.981 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161378900 815749018 /nfs/dbraw/zinc/74/90/18/815749018.db2.gz NXTAYUSHXCVZMF-QWHCGFSZSA-N 3 0 283.420 -0.923 20 0 CBADRP [NH3+]C1CCN([C@H]2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)CC1 ZINC001161381374 815749101 /nfs/dbraw/zinc/74/91/01/815749101.db2.gz YJNVXSVSPIDASZ-IGQOVBAYSA-N 2 0 278.400 -0.524 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161390382 815749821 /nfs/dbraw/zinc/74/98/21/815749821.db2.gz XQRKOUWYIBLLHV-RYUDHWBXSA-N 2 0 255.362 -0.096 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161412772 815751552 /nfs/dbraw/zinc/75/15/52/815751552.db2.gz MLCYJFGIGOHNIO-USZNOCQGSA-N 3 0 254.378 -0.362 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161414461 815752830 /nfs/dbraw/zinc/75/28/30/815752830.db2.gz XCSUHAPZMXZPOV-VLEAKVRGSA-N 3 0 272.418 -0.799 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161414701 815753062 /nfs/dbraw/zinc/75/30/62/815753062.db2.gz YQTNYGFXWPQFRA-MMWGEVLESA-N 2 0 255.318 -0.928 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C[C@@H]12 ZINC001161414467 815753306 /nfs/dbraw/zinc/75/33/06/815753306.db2.gz XEYBHXQMMUROGU-FTQJZPFOSA-N 3 0 278.400 -0.619 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161414702 815753339 /nfs/dbraw/zinc/75/33/39/815753339.db2.gz YQTNYGFXWPQFRA-NAKRPEOUSA-N 2 0 255.318 -0.928 20 0 CBADRP O=C([C@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N1CC[NH2+]C1 ZINC001161418752 815753660 /nfs/dbraw/zinc/75/36/60/815753660.db2.gz OMMJEDPNLZILPP-NWDGAFQWSA-N 2 0 252.362 -0.550 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@H]1C[NH2+]C[C@H](O)C1)[C@@H]1CCC[NH2+]C1 ZINC001161444171 815755581 /nfs/dbraw/zinc/75/55/81/815755581.db2.gz DJEKESFIDYWKBP-BFHYXJOUSA-N 3 0 298.431 -0.901 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161449900 815755668 /nfs/dbraw/zinc/75/56/68/815755668.db2.gz VCNRSHKMEDCPPA-KBPBESRZSA-N 3 0 297.447 -0.968 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@H]1C[NH2+]C[C@@H](O)C1)[C@H]1CCC[NH2+]C1 ZINC001161444172 815755894 /nfs/dbraw/zinc/75/58/94/815755894.db2.gz DJEKESFIDYWKBP-IHRRRGAJSA-N 3 0 298.431 -0.901 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@H]1C[NH2+]C[C@H](O)C1)[C@H]1CCC[NH2+]C1 ZINC001161444173 815755961 /nfs/dbraw/zinc/75/59/61/815755961.db2.gz DJEKESFIDYWKBP-MELADBBJSA-N 3 0 298.431 -0.901 20 0 CBADRP C[NH+](C)CCN(C(=O)C[C@@H]1COCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161448464 815756047 /nfs/dbraw/zinc/75/60/47/815756047.db2.gz CIBGVKQOSUYEDH-ZIAGYGMSSA-N 3 0 298.431 -0.493 20 0 CBADRP C[NH2+]CCC(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001161481637 815758217 /nfs/dbraw/zinc/75/82/17/815758217.db2.gz YPOAZBUOXKLVAN-GWCFXTLKSA-N 2 0 269.345 -0.651 20 0 CBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CC[NH2+]1)CC2 ZINC001161476770 815759154 /nfs/dbraw/zinc/75/91/54/815759154.db2.gz DOBDGRVUXHVKOH-OPQQBVKSSA-N 2 0 267.329 -0.898 20 0 CBADRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@]2(N)CCC[NH2+]C2)C1 ZINC001161487762 815759514 /nfs/dbraw/zinc/75/95/14/815759514.db2.gz IKNBFVQINRPYHF-QWHCGFSZSA-N 2 0 254.378 -0.345 20 0 CBADRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001161488956 815759692 /nfs/dbraw/zinc/75/96/92/815759692.db2.gz ITYCBTAJFHFYMJ-FMSGJZPZSA-N 2 0 266.389 -0.476 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CCC[C@](C)(C[NH3+])C1 ZINC001161489367 815760003 /nfs/dbraw/zinc/76/00/03/815760003.db2.gz LXHYJGYAQVTQFQ-GXTWGEPZSA-N 2 0 279.388 -0.123 20 0 CBADRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001161488092 815760186 /nfs/dbraw/zinc/76/01/86/815760186.db2.gz KAJFLCSCCXEVPO-FZMZJTMJSA-N 2 0 282.388 -0.477 20 0 CBADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161488300 815760662 /nfs/dbraw/zinc/76/06/62/815760662.db2.gz CJLCFQODKUMKRO-DGCLKSJQSA-N 3 0 266.389 -0.617 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@@H]2C[C@@H](OC(C)(C)C)C[NH2+]2)C[C@@H]1[NH3+] ZINC001161492300 815761066 /nfs/dbraw/zinc/76/10/66/815761066.db2.gz MWPKVRLYTHGHDA-NOOOWODRSA-N 2 0 285.388 -0.284 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001161491859 815761167 /nfs/dbraw/zinc/76/11/67/815761167.db2.gz JFTAVVGIAHLDOM-TUAOUCFPSA-N 2 0 283.372 -0.493 20 0 CBADRP CO[C@@H]1CN(C(=O)C[C@@H]([NH3+])COC(C)(C)C)C[C@@H]1[NH3+] ZINC001161492673 815761317 /nfs/dbraw/zinc/76/13/17/815761317.db2.gz UQXZMVWPUDGVCE-OUAUKWLOSA-N 2 0 273.377 -0.297 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C[C@@H]1[NH3+] ZINC001161492292 815761496 /nfs/dbraw/zinc/76/14/96/815761496.db2.gz MIINGFSYSKXXKW-MELADBBJSA-N 2 0 275.352 -0.115 20 0 CBADRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1 ZINC001161489424 815761732 /nfs/dbraw/zinc/76/17/32/815761732.db2.gz MUJFAYUQOSAQPP-RFHZTLPTSA-N 2 0 266.389 -0.204 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C[C@@H]1[NH3+] ZINC001161492291 815761893 /nfs/dbraw/zinc/76/18/93/815761893.db2.gz MIINGFSYSKXXKW-BFHYXJOUSA-N 2 0 275.352 -0.115 20 0 CBADRP [NH3+][C@@H](Cc1ccsc1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161500226 815763475 /nfs/dbraw/zinc/76/34/75/815763475.db2.gz LLAMSZOIDQBTMP-QWRGUYRKSA-N 2 0 281.381 -0.196 20 0 CBADRP C[C@@H]1CN(C2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C2)C[C@@H](C)O1 ZINC001161493381 815763786 /nfs/dbraw/zinc/76/37/86/815763786.db2.gz MOTLBPPPUJWPRX-WZRBSPASSA-N 2 0 284.404 -0.627 20 0 CBADRP [NH3+]C[C@H](Cc1ccccc1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161508672 815764864 /nfs/dbraw/zinc/76/48/64/815764864.db2.gz GAVQOKDULCRSRC-UONOGXRCSA-N 2 0 289.379 -0.010 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161510410 815765005 /nfs/dbraw/zinc/76/50/05/815765005.db2.gz OOLWPDSWWKHJLW-STQMWFEESA-N 3 0 298.431 -0.332 20 0 CBADRP CC1(C)[C@H](C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)C[C@@H]1[NH3+] ZINC001161509454 815765052 /nfs/dbraw/zinc/76/50/52/815765052.db2.gz KEDABSQYKJYAOQ-LPEHRKFASA-N 2 0 253.346 -0.454 20 0 CBADRP [NH3+][C@H](C(=O)N1C[C@@H]([NH3+])C2(COC2)C1)c1ccccc1 ZINC001161501605 815765165 /nfs/dbraw/zinc/76/51/65/815765165.db2.gz ZMRYIWHHGOVSSF-NEPJUHHUSA-N 2 0 261.325 -0.128 20 0 CBADRP CC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161525874 815765995 /nfs/dbraw/zinc/76/59/95/815765995.db2.gz CLBHLBGETLIRMN-MNOVXSKESA-N 2 0 251.330 -0.625 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C[C@H]2CCCC[NH2+]2)CC12COC2 ZINC001161511341 815766169 /nfs/dbraw/zinc/76/61/69/815766169.db2.gz YUPPXWIGHBURDV-GHMZBOCLSA-N 2 0 253.346 -0.295 20 0 CBADRP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)C1 ZINC001161511396 815766818 /nfs/dbraw/zinc/76/68/18/815766818.db2.gz ZCGQDTKIDAXTOG-GRYCIOLGSA-N 2 0 297.399 -0.282 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC2(C1)C[NH+](C)C2 ZINC001161532825 815767682 /nfs/dbraw/zinc/76/76/82/815767682.db2.gz XRVUGMSHNDPEQG-RYUDHWBXSA-N 2 0 296.415 -0.362 20 0 CBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[NH2+]C2(CC2)C1 ZINC001161545483 815769064 /nfs/dbraw/zinc/76/90/64/815769064.db2.gz UPMZANWWNLNXBB-LBPRGKRZSA-N 3 0 278.400 -0.175 20 0 CBADRP O=C(C1=NO[C@]2(CC[NH2+]C2)C1)N1CC[NH2+]C2(CC2)C1 ZINC001161545114 815769637 /nfs/dbraw/zinc/76/96/37/815769637.db2.gz MOQDYQAMKTVYQO-CYBMUJFWSA-N 2 0 264.329 -0.541 20 0 CBADRP C[NH+]1CCC(O)(C(=O)N2CC[NH2+]C3(CC3)C2)CC1 ZINC001161548440 815770305 /nfs/dbraw/zinc/77/03/05/815770305.db2.gz SFOLITCZJUYIBT-UHFFFAOYSA-N 2 0 253.346 -0.593 20 0 CBADRP O=C([C@@H]1C[NH2+]C[C@H]2CCO[C@@H]21)N1CC[NH2+]C2(CC2)C1 ZINC001161551056 815771605 /nfs/dbraw/zinc/77/16/05/815771605.db2.gz ZOSOULINPNVWRW-UTUOFQBUSA-N 2 0 265.357 -0.425 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1)C(N)=O ZINC001161863758 815791293 /nfs/dbraw/zinc/79/12/93/815791293.db2.gz QHQYAMAEPSISGX-SNVBAGLBSA-N 2 0 289.339 -0.082 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])c1ccc(OC2C[NH2+]C2)cn1 ZINC001162130989 815806634 /nfs/dbraw/zinc/80/66/34/815806634.db2.gz MCJKJXIXZCRQRD-UHFFFAOYSA-N 2 0 286.357 -0.843 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001162611818 815837726 /nfs/dbraw/zinc/83/77/26/815837726.db2.gz QKZNFJYJNBJBSM-UHFFFAOYSA-N 2 0 289.339 -0.210 20 0 CBADRP O=C(NCCC[NH2+]CCCO)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162851325 815846422 /nfs/dbraw/zinc/84/64/22/815846422.db2.gz NZDWCYJXKZLJBN-OWYJLGKBSA-N 2 0 297.399 -0.672 20 0 CBADRP C[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872641 815846734 /nfs/dbraw/zinc/84/67/34/815846734.db2.gz ZCKDZTRRFPURKS-SDFYHXNISA-N 2 0 297.399 -0.674 20 0 CBADRP C[C@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872640 815847111 /nfs/dbraw/zinc/84/71/11/815847111.db2.gz ZCKDZTRRFPURKS-OYNVLQORSA-N 2 0 297.399 -0.674 20 0 CBADRP [NH3+][C@H]1COC[C@H]1Nc1ccc(O[C@H]2CCC[NH2+]C2)nn1 ZINC001162919985 815849098 /nfs/dbraw/zinc/84/90/98/815849098.db2.gz NKAQEACLJPBZPT-GARJFASQSA-N 2 0 279.344 -0.255 20 0 CBADRP c1c2c(nnc1NCc1nnn3c1C[NH2+]CCC3)C[NH2+]C2 ZINC001162973725 815850917 /nfs/dbraw/zinc/85/09/17/815850917.db2.gz PJLJMPAGLGMYOY-UHFFFAOYSA-N 2 0 286.343 -0.223 20 0 CBADRP C[NH2+]Cc1cc(N[C@@H]2COCCC23C[NH2+]C3)ncn1 ZINC001163068920 815857107 /nfs/dbraw/zinc/85/71/07/815857107.db2.gz LDROYPSRXZLFCU-LLVKDONJSA-N 2 0 263.345 -0.014 20 0 CBADRP CC[NH+](CC)CCNC(=[NH2+])Nc1nccc(C(N)=O)n1 ZINC001163122477 815859780 /nfs/dbraw/zinc/85/97/80/815859780.db2.gz MOYSOMHJPYORRN-UHFFFAOYSA-N 2 0 279.348 -0.146 20 0 CBADRP c1nc(O[C@H]2CC[NH2+]C2)ncc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163141663 815860930 /nfs/dbraw/zinc/86/09/30/815860930.db2.gz QZKLWCPQOXBQCT-UMSGYPCISA-N 2 0 291.355 -0.384 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163224325 815866636 /nfs/dbraw/zinc/86/66/36/815866636.db2.gz SWRMEYQIHLUCJK-AWEZNQCLSA-N 2 0 296.415 -0.297 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ncnc3c2C[NH2+]CC3)N1 ZINC001163239537 815870533 /nfs/dbraw/zinc/87/05/33/815870533.db2.gz QWUVSNHLBFKJTG-ZWNOBZJWSA-N 2 0 274.328 -0.888 20 0 CBADRP Cc1nnc(C[NH3+])n1-c1ncnc2c1CC[NH2+]CC2 ZINC001163346689 815878501 /nfs/dbraw/zinc/87/85/01/815878501.db2.gz TWMOJYYSEUEALD-UHFFFAOYSA-N 2 0 259.317 -0.487 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])Nc1cc(C2C[NH2+]C2)ncn1 ZINC001163445659 815885265 /nfs/dbraw/zinc/88/52/65/815885265.db2.gz NDQFJJXMJKXZFN-NSHDSACASA-N 2 0 292.387 -0.181 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])Nc1ncc2c(n1)C[NH2+]C2 ZINC001163439361 815885643 /nfs/dbraw/zinc/88/56/43/815885643.db2.gz XKHVWEQFFHFCCG-JTQLQIEISA-N 2 0 278.360 -0.265 20 0 CBADRP C[NH2+]CCN(C)c1ccc(N2CC[NH2+]CC2)nn1 ZINC001163719073 815897639 /nfs/dbraw/zinc/89/76/39/815897639.db2.gz MCFNHVZXFKZHHH-UHFFFAOYSA-N 2 0 250.350 -0.458 20 0 CBADRP C[NH+]1CCC[C@H]1C(=O)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001292584183 816469638 /nfs/dbraw/zinc/46/96/38/816469638.db2.gz LFDZVUJQSVFRGY-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP Cc1nc[nH]c1CC(=O)NCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001292586048 816469765 /nfs/dbraw/zinc/46/97/65/816469765.db2.gz IMWBSBDEQYVASK-GFCCVEGCSA-N 2 0 293.371 -0.413 20 0 CBADRP C[C@H](CC[NH+](C)C)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC001296072502 816599618 /nfs/dbraw/zinc/59/96/18/816599618.db2.gz JRVXNYBJZKEEKC-YPMHNXCESA-N 2 0 257.378 -0.243 20 0 CBADRP C[NH+](C)CCC(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001298412547 816681905 /nfs/dbraw/zinc/68/19/05/816681905.db2.gz HHWQBPVUOBOIKL-MUBLQREKSA-N 2 0 296.415 -0.322 20 0 CBADRP C[C@@H](CC[NH+](C)C)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001300147630 816738301 /nfs/dbraw/zinc/73/83/01/816738301.db2.gz HDOGWRQHDISORA-RWMBFGLXSA-N 2 0 269.389 -0.148 20 0 CBADRP CC[C@H](C(=O)N1CC([NH2+][C@@H]2CCOC2)C1)[NH+](C)C ZINC001304083538 816778981 /nfs/dbraw/zinc/77/89/81/816778981.db2.gz FLZRWXJIRLGINW-ZYHUDNBSSA-N 2 0 255.362 -0.084 20 0 CBADRP C[C@H](Nc1nc(N)[nH+]c(N)n1)[C@H]1C[N@H+](C)CCN1C ZINC001307214918 816799689 /nfs/dbraw/zinc/79/96/89/816799689.db2.gz YLMVGNGESLLVHX-JGVFFNPUSA-N 2 0 266.353 -0.918 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001316621158 816872017 /nfs/dbraw/zinc/87/20/17/816872017.db2.gz YPDXKPXLJDCXNF-UTUOFQBUSA-N 2 0 257.378 -0.197 20 0 CBADRP CNC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001316825811 816884360 /nfs/dbraw/zinc/88/43/60/816884360.db2.gz VVPFMKNBAORQGY-CYBMUJFWSA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001316831019 816887379 /nfs/dbraw/zinc/88/73/79/816887379.db2.gz WASYENJVYMVGFK-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](C)[C@@H]2CCNC2=O)C1 ZINC001316851440 816893105 /nfs/dbraw/zinc/89/31/05/816893105.db2.gz WSEIBLQCLCJCEW-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(CCCNC(=O)C[NH+]1CCCC1)Cc1nncn1C ZINC001316864867 816894833 /nfs/dbraw/zinc/89/48/33/816894833.db2.gz CWOJLGRKAJDAPV-UHFFFAOYSA-N 2 0 294.403 -0.151 20 0 CBADRP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)[C@@H]1CCCNC1=O ZINC001316865683 816895969 /nfs/dbraw/zinc/89/59/69/816895969.db2.gz PSYFXJWJHGEJFD-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[N@H+](CCCNC(=O)CC[NH+](C)C)[C@@H]1CCNC1=O ZINC001316901334 816899948 /nfs/dbraw/zinc/89/99/48/816899948.db2.gz GSKRSZDNINVUML-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)CC(N)=O ZINC001316892554 816900357 /nfs/dbraw/zinc/90/03/57/816900357.db2.gz NSCSYKQXGOCGGR-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)[C@H](C)C(N)=O ZINC001316906415 816902925 /nfs/dbraw/zinc/90/29/25/816902925.db2.gz AUBRVJXOCQZWBQ-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCOCCO)C1 ZINC001316939782 816905117 /nfs/dbraw/zinc/90/51/17/816905117.db2.gz ARXSKVTWVQCJMO-ZIAGYGMSSA-N 2 0 299.415 -0.330 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]CCO)C2CC2)C1 ZINC001317035302 816922556 /nfs/dbraw/zinc/92/25/56/816922556.db2.gz SSSIAXZBPPNJIP-VXGBXAGGSA-N 2 0 255.362 -0.585 20 0 CBADRP COCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317105850 816933042 /nfs/dbraw/zinc/93/30/42/816933042.db2.gz WKVBAICFYFMSSM-GRYCIOLGSA-N 2 0 255.362 -0.036 20 0 CBADRP COCCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001317125907 816935391 /nfs/dbraw/zinc/93/53/91/816935391.db2.gz FKGPSFSGBVNRMC-MCIONIFRSA-N 2 0 299.415 -0.162 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCO ZINC001317246669 816949793 /nfs/dbraw/zinc/94/97/93/816949793.db2.gz WYMJZVPIVIFUBY-NEPJUHHUSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCOCCO)C2)CC[N@@H+]1C ZINC001317299441 816961746 /nfs/dbraw/zinc/96/17/46/816961746.db2.gz DOAPMZGHBSXMQU-HZSPNIEDSA-N 2 0 299.415 -0.474 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001317309701 816963333 /nfs/dbraw/zinc/96/33/33/816963333.db2.gz XYYFKCHIAIZCPT-ZDUSSCGKSA-N 2 0 285.388 -0.718 20 0 CBADRP COC[C@@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317588153 817024614 /nfs/dbraw/zinc/02/46/14/817024614.db2.gz CPIVVQILPFPACR-FRRDWIJNSA-N 2 0 287.404 -0.618 20 0 CBADRP CN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001317598936 817026160 /nfs/dbraw/zinc/02/61/60/817026160.db2.gz MQGHKQQMRRKTDN-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP CN(CC[NH2+]CC(=O)N1CCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001317624885 817033497 /nfs/dbraw/zinc/03/34/97/817033497.db2.gz YGMMGTUOXGJDHZ-UHFFFAOYSA-N 2 0 296.415 -0.392 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001317653874 817039911 /nfs/dbraw/zinc/03/99/11/817039911.db2.gz JDVFPSMSKKGIGX-GFCCVEGCSA-N 2 0 282.392 -0.297 20 0 CBADRP C[N@H+](CCO)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001317862413 817052503 /nfs/dbraw/zinc/05/25/03/817052503.db2.gz WKRPFNGCRIBXCD-ZDUSSCGKSA-N 2 0 269.389 -0.145 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001318273568 817093454 /nfs/dbraw/zinc/09/34/54/817093454.db2.gz UVYPXRRBXHHESL-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H](C[NH2+]CCCO)N(C)C(=O)C[NH+]1CCCC1 ZINC001319575149 817220538 /nfs/dbraw/zinc/22/05/38/817220538.db2.gz UNVUMIIAMXNAON-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCO ZINC001319955800 817259228 /nfs/dbraw/zinc/25/92/28/817259228.db2.gz AUKMKKFVVCYYLZ-LBPRGKRZSA-N 2 0 257.378 -0.195 20 0 CBADRP CCC[NH2+]C[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001320265501 817308116 /nfs/dbraw/zinc/30/81/16/817308116.db2.gz XBLMNLHHRDHIJA-LLVKDONJSA-N 2 0 257.378 -0.195 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]C/C=C/Cl ZINC001320270019 817310333 /nfs/dbraw/zinc/31/03/33/817310333.db2.gz GPCASVWWGAREMP-RXNUUUNCSA-N 2 0 263.769 -0.243 20 0 CBADRP CC(C)[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001320270201 817310529 /nfs/dbraw/zinc/31/05/29/817310529.db2.gz KDNCALOFNMQJLY-LBPRGKRZSA-N 2 0 257.378 -0.197 20 0 CBADRP COCCC[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001320295648 817317083 /nfs/dbraw/zinc/31/70/83/817317083.db2.gz LJAFHPGZDQKWMT-LBPRGKRZSA-N 2 0 285.388 -0.815 20 0 CBADRP CCN(CC[NH2+]CC(=O)NC)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001320738480 817384302 /nfs/dbraw/zinc/38/43/02/817384302.db2.gz WIJTWUSZTRATHL-ZDUSSCGKSA-N 2 0 296.415 -0.488 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)C(N)=O ZINC001321057604 817436902 /nfs/dbraw/zinc/43/69/02/817436902.db2.gz QUDQUXKDJQFHSN-OEFFGFFESA-N 2 0 296.415 -0.005 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]CC(=O)N(C)C)C1 ZINC001321251100 817468854 /nfs/dbraw/zinc/46/88/54/817468854.db2.gz QPNFNXRKWQTELG-ZFDPJTLLSA-N 2 0 296.415 -0.322 20 0 CBADRP O=C(NC/C=C\C[NH2+]CCCO)C12CC[NH+](CC1)C2 ZINC001321336685 817483965 /nfs/dbraw/zinc/48/39/65/817483965.db2.gz LSNDENOZXWOFGP-UPHRSURJSA-N 2 0 267.373 -0.273 20 0 CBADRP CC[C@H](C(=O)NC/C=C/C[NH2+][C@@H]1CCCNC1=O)[NH+](C)C ZINC001321334680 817484380 /nfs/dbraw/zinc/48/43/80/817484380.db2.gz CEJXWFFBRGWXAO-FBVTZJDUSA-N 2 0 296.415 -0.133 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001321334689 817484393 /nfs/dbraw/zinc/48/43/93/817484393.db2.gz CJQGUWANEGQZOQ-QITAHTHBSA-N 2 0 296.415 -0.275 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001163833155 819855871 /nfs/dbraw/zinc/85/58/71/819855871.db2.gz KMEXZOKXTVQSCT-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP [NH3+]CCN(CCO)c1ccc(OCC[NH+]2CCCC2)nn1 ZINC001163830020 819856109 /nfs/dbraw/zinc/85/61/09/819856109.db2.gz OLZZKIMCFIYDIQ-UHFFFAOYSA-N 2 0 295.387 -0.291 20 0 CBADRP COCC[N@H+](C)Cc1ccnc(N(CC[NH3+])CCO)c1 ZINC001163831498 819856506 /nfs/dbraw/zinc/85/65/06/819856506.db2.gz CILHMWZOZDOVMP-UHFFFAOYSA-N 2 0 282.388 -0.083 20 0 CBADRP CN(c1ccc2c(n1)OCC[NH2+]C2)S(=O)(=O)CC[NH3+] ZINC001164287960 819900300 /nfs/dbraw/zinc/90/03/00/819900300.db2.gz ZVMOBRCYASKBBA-UHFFFAOYSA-N 2 0 286.357 -0.712 20 0 CBADRP CC(C)[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@@H](C)O)C1 ZINC001164538298 819922800 /nfs/dbraw/zinc/92/28/00/819922800.db2.gz CPCPQQGCMKGDHM-OLZOCXBDSA-N 2 0 287.404 -0.428 20 0 CBADRP [NH3+]C1CCN(c2cccc(N3C[C@H](O)[C@@H](CO)C3)[nH+]2)CC1 ZINC001164543828 819925937 /nfs/dbraw/zinc/92/59/37/819925937.db2.gz FQIRXEGLEKZCDI-YPMHNXCESA-N 2 0 292.383 -0.202 20 0 CBADRP C[NH+](C)Cc1ccnc(N(C2C[NH2+]C2)S(C)(=O)=O)c1 ZINC001165125899 819939583 /nfs/dbraw/zinc/93/95/83/819939583.db2.gz FXEHILFBCGLHPZ-UHFFFAOYSA-N 2 0 284.385 -0.119 20 0 CBADRP c1nn(-c2ncnc3c2CC[NH2+]CC3)c2c1C[NH2+]CC2 ZINC001165218492 819943544 /nfs/dbraw/zinc/94/35/44/819943544.db2.gz MVAHRXVHRJEBEZ-UHFFFAOYSA-N 2 0 270.340 -0.004 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165255335 819944800 /nfs/dbraw/zinc/94/48/00/819944800.db2.gz YOSMHANADGJHRA-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP OC[C@@]12C[NH2+]C[C@@H]1CN(c1ncc3c(n1)C[NH2+]C3)C2 ZINC001165284108 819947849 /nfs/dbraw/zinc/94/78/49/819947849.db2.gz UHAROLCIYQQSEL-MFKMUULPSA-N 2 0 261.329 -0.902 20 0 CBADRP c1nc2c(c(N3CCOCC34C[NH2+]C4)n1)CC[NH2+]CC2 ZINC001165287378 819948809 /nfs/dbraw/zinc/94/88/09/819948809.db2.gz DDDPOCQITXWOOF-UHFFFAOYSA-N 2 0 275.356 -0.657 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165367354 819958378 /nfs/dbraw/zinc/95/83/78/819958378.db2.gz UBYCIMSXCSVTCV-UHFFFAOYSA-N 2 0 286.420 -0.098 20 0 CBADRP [NH3+][C@H]1[C@H]2CN(c3ccc(N4CC[NH2+]CC4)nn3)C[C@@H]12 ZINC001165382934 819959472 /nfs/dbraw/zinc/95/94/72/819959472.db2.gz IKRGYZZQWRZTRO-DDFAGTSDSA-N 2 0 260.345 -0.721 20 0 CBADRP c1cc(N2CCC[C@H]3[NH2+]C[C@H]32)nnc1N1CC[NH2+]CC1 ZINC001165390446 819960188 /nfs/dbraw/zinc/96/01/88/819960188.db2.gz LEAQRZWLYAHYSC-VXGBXAGGSA-N 2 0 274.372 -0.173 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1c1ncnc2c1CC[NH2+]C2 ZINC001165436906 819961743 /nfs/dbraw/zinc/96/17/43/819961743.db2.gz MHZYMINLJKHRTB-NSHDSACASA-N 2 0 277.328 -0.927 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001165764367 819982720 /nfs/dbraw/zinc/98/27/20/819982720.db2.gz POLAKFNWEOWWNX-LBPRGKRZSA-N 2 0 296.415 -0.168 20 0 CBADRP CCCNC(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165781307 819983238 /nfs/dbraw/zinc/98/32/38/819983238.db2.gz OXGJWARYDKOZHX-UHFFFAOYSA-N 2 0 272.393 -0.440 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165777014 819983262 /nfs/dbraw/zinc/98/32/62/819983262.db2.gz QTESVVVMFKGLOD-ZDUSSCGKSA-N 2 0 287.404 -0.569 20 0 CBADRP CCn1ncc(C[NH2+]CCCNC(=O)CC[NH+](C)C)n1 ZINC001165793860 819983323 /nfs/dbraw/zinc/98/33/23/819983323.db2.gz DNVHFRFNBJMHHF-UHFFFAOYSA-N 2 0 282.392 -0.154 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001165801300 819983696 /nfs/dbraw/zinc/98/36/96/819983696.db2.gz TZZMXRKGKZFANX-CYBMUJFWSA-N 2 0 297.403 -0.708 20 0 CBADRP Cn1nccc1C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165794588 819983997 /nfs/dbraw/zinc/98/39/97/819983997.db2.gz XIPOPZAHUURFRS-UHFFFAOYSA-N 2 0 267.377 -0.032 20 0 CBADRP CC(C)[C@H](C(=O)NCCC[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001166004312 819988723 /nfs/dbraw/zinc/98/87/23/819988723.db2.gz KKOIHNASFMRVTL-NWDGAFQWSA-N 2 0 284.404 -0.443 20 0 CBADRP CC(C)[C@H](C(=O)NCCC[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001166004804 819988929 /nfs/dbraw/zinc/98/89/29/819988929.db2.gz YQBMMUGESPHMFX-CYBMUJFWSA-N 2 0 296.419 -0.003 20 0 CBADRP C[C@H](O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166626606 820009565 /nfs/dbraw/zinc/00/95/65/820009565.db2.gz HRTSWBGPILZDMA-NEPJUHHUSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001166626989 820009985 /nfs/dbraw/zinc/00/99/85/820009985.db2.gz NMBJXBYWAKESAD-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CCn1cncn1 ZINC001166627453 820010061 /nfs/dbraw/zinc/01/00/61/820010061.db2.gz VYPKIRVKTWJZSG-CYBMUJFWSA-N 2 0 294.403 -0.142 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]Cc2cnn(C)n2)C1 ZINC001166667466 820012957 /nfs/dbraw/zinc/01/29/57/820012957.db2.gz BQPZBKDSRNRQJM-GFCCVEGCSA-N 2 0 294.403 -0.247 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001166678157 820014523 /nfs/dbraw/zinc/01/45/23/820014523.db2.gz UDOKFRAZZVTMCW-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]Cc2nncn2C)C1 ZINC001166668244 820014633 /nfs/dbraw/zinc/01/46/33/820014633.db2.gz WQXIHNJEDJBMSM-GFCCVEGCSA-N 2 0 294.403 -0.247 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001166678937 820015340 /nfs/dbraw/zinc/01/53/40/820015340.db2.gz ZLIFDQHHMYFQLQ-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP COCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166695066 820017296 /nfs/dbraw/zinc/01/72/96/820017296.db2.gz ZSTVLLVDXNGHQL-NEPJUHHUSA-N 2 0 257.378 -0.074 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001166678935 820017320 /nfs/dbraw/zinc/01/73/20/820017320.db2.gz ZLIFDQHHMYFQLQ-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1cnnn1C ZINC001166708639 820017804 /nfs/dbraw/zinc/01/78/04/820017804.db2.gz VLMIJRITPMPCQC-AAEUAGOBSA-N 2 0 294.403 -0.391 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166707963 820017842 /nfs/dbraw/zinc/01/78/42/820017842.db2.gz KSQISNQKSQAYJU-QWHCGFSZSA-N 2 0 298.431 -0.195 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166708587 820017946 /nfs/dbraw/zinc/01/79/46/820017946.db2.gz UKPSFJFPOYUHJI-NEPJUHHUSA-N 2 0 284.404 -0.584 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001166707990 820018988 /nfs/dbraw/zinc/01/89/88/820018988.db2.gz LEOPFPLFISNYAR-QWHCGFSZSA-N 2 0 296.415 -0.488 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166708589 820019141 /nfs/dbraw/zinc/01/91/41/820019141.db2.gz UKPSFJFPOYUHJI-RYUDHWBXSA-N 2 0 284.404 -0.584 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001166744176 820034790 /nfs/dbraw/zinc/03/47/90/820034790.db2.gz LEJMHJJVTSXKIL-UHFFFAOYSA-N 2 0 286.420 -0.194 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+]C[C@H](O)COC)[NH+](C)C ZINC001166858331 820042220 /nfs/dbraw/zinc/04/22/20/820042220.db2.gz PWVUURLZKNTZIE-RYUDHWBXSA-N 2 0 275.393 -0.570 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC1CC1)[NH+](C)C ZINC001166858408 820041909 /nfs/dbraw/zinc/04/19/09/820041909.db2.gz TUOHLYXSMOTULC-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001166858336 820042677 /nfs/dbraw/zinc/04/26/77/820042677.db2.gz QAOGDCASJCSCLV-JTQLQIEISA-N 2 0 298.391 -0.956 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1nncn1C)[NH+](C)C ZINC001166858019 820042991 /nfs/dbraw/zinc/04/29/91/820042991.db2.gz KWVFJSUIKAVNOM-NSHDSACASA-N 2 0 282.392 -0.249 20 0 CBADRP C[NH+](C)CCCC(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001166896345 820044151 /nfs/dbraw/zinc/04/41/51/820044151.db2.gz IHUXFTUFHLMCNQ-UHFFFAOYSA-N 2 0 284.404 -0.310 20 0 CBADRP COC(=O)C1(Nc2ncnc3c2C[NH2+]CC3)CC[NH2+]CC1 ZINC001166922493 820045855 /nfs/dbraw/zinc/04/58/55/820045855.db2.gz ATLHWIGNHFLDJR-UHFFFAOYSA-N 2 0 291.355 -0.171 20 0 CBADRP COC(=O)C1(Nc2cc3c(nn2)C[NH2+]C3)CC[NH2+]CC1 ZINC001166932692 820047749 /nfs/dbraw/zinc/04/77/49/820047749.db2.gz VNUXWAASARGUEH-UHFFFAOYSA-N 2 0 277.328 -0.213 20 0 CBADRP [NH3+]C[C@H]1CN(c2nccc(N3CCC([NH3+])CC3)n2)CCO1 ZINC001166940240 820049738 /nfs/dbraw/zinc/04/97/38/820049738.db2.gz GNICCPSJPZICGP-LBPRGKRZSA-N 2 0 292.387 -0.432 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ncc2c(n1)C[NH2+]C2 ZINC001166964171 820054468 /nfs/dbraw/zinc/05/44/68/820054468.db2.gz ZFNKMPZZBOYEDI-SCZZXKLOSA-N 2 0 263.301 -0.841 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1cc2c(nn1)CC[NH2+]C2 ZINC001166968533 820057990 /nfs/dbraw/zinc/05/79/90/820057990.db2.gz WQASHFZCDJVWDF-KOLCDFICSA-N 2 0 277.328 -0.799 20 0 CBADRP C[C@H]([NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1)C(N)=O ZINC001166971830 820058114 /nfs/dbraw/zinc/05/81/14/820058114.db2.gz OMCDBSZKTSXXHX-NSHDSACASA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H]([NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1)C(N)=O ZINC001166971829 820058497 /nfs/dbraw/zinc/05/84/97/820058497.db2.gz OMCDBSZKTSXXHX-LLVKDONJSA-N 2 0 284.404 -0.312 20 0 CBADRP Cc1cnc(N(C2C[NH2+]C2)S(C)(=O)=O)c(C[NH3+])c1 ZINC001166970629 820058716 /nfs/dbraw/zinc/05/87/16/820058716.db2.gz RBTZIPKJJVANFS-UHFFFAOYSA-N 2 0 270.358 -0.413 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166986616 820061216 /nfs/dbraw/zinc/06/12/16/820061216.db2.gz OSKUYRKOHKPLCU-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP Cc1nc(N2C[C@@H](O)[C@@H]([NH3+])C2)cc(N2CCCC2)[nH+]1 ZINC001167089806 820070274 /nfs/dbraw/zinc/07/02/74/820070274.db2.gz JTUCEWRTZLQAFR-WDEREUQCSA-N 2 0 263.345 -0.107 20 0 CBADRP C[NH+]1CCC(CC(=O)NCCC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001167655147 820108635 /nfs/dbraw/zinc/10/86/35/820108635.db2.gz GMAHFFQXJZLLFJ-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP COc1c(C2C[NH2+]C2)ncnc1-n1ccc(CC[NH3+])n1 ZINC001167729867 820113455 /nfs/dbraw/zinc/11/34/55/820113455.db2.gz SORUYFIBDCVMOM-UHFFFAOYSA-N 2 0 274.328 -0.141 20 0 CBADRP C[NH+](C)CCOCC(=O)NCCC1(C[NH2+]CCO)CC1 ZINC001167736747 820113643 /nfs/dbraw/zinc/11/36/43/820113643.db2.gz IPKDMMCYLNZUMX-UHFFFAOYSA-N 2 0 287.404 -0.567 20 0 CBADRP [NH3+]CCc1nnn(-c2ccc([C@H]3CCC[NH2+]3)cn2)n1 ZINC001167788214 820116283 /nfs/dbraw/zinc/11/62/83/820116283.db2.gz SQCWBNJSHQLNQY-SNVBAGLBSA-N 2 0 259.317 -0.017 20 0 CBADRP CSc1nc(C2C[NH2+]C2)cc(-n2nnc(CC[NH3+])n2)n1 ZINC001167791956 820120030 /nfs/dbraw/zinc/12/00/30/820120030.db2.gz YTAIGQWHYWPWSJ-UHFFFAOYSA-N 2 0 292.372 -0.638 20 0 CBADRP COC(OC)c1c(C[NH3+])ccnc1-n1nnc(CC[NH3+])n1 ZINC001167791907 820120620 /nfs/dbraw/zinc/12/06/20/820120620.db2.gz WDRRCICVHBGSRI-UHFFFAOYSA-N 2 0 293.331 -0.691 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+]CC(=O)NC)CC1 ZINC001167815619 820121472 /nfs/dbraw/zinc/12/14/72/820121472.db2.gz VWVMEQVQGYGBQQ-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP COC(=O)c1cc(OC)nc(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001167878659 820124564 /nfs/dbraw/zinc/12/45/64/820124564.db2.gz BBPVMGOPLUPVCV-UHFFFAOYSA-N 2 0 296.331 -0.053 20 0 CBADRP CCn1nccc(NC(=[NH2+])NCCCC[NH3+])c1=O ZINC001167883758 820124690 /nfs/dbraw/zinc/12/46/90/820124690.db2.gz MPKUTERPFQGNIA-UHFFFAOYSA-N 2 0 252.322 -0.062 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])Nc1cc2c(nn1)OCCO2 ZINC001167877375 820125821 /nfs/dbraw/zinc/12/58/21/820125821.db2.gz CBKSENLHJYIQEM-UHFFFAOYSA-N 2 0 266.305 -0.077 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168023149 820138623 /nfs/dbraw/zinc/13/86/23/820138623.db2.gz UTAOOQKJXILBQD-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CCO1 ZINC001168091645 820143736 /nfs/dbraw/zinc/14/37/36/820143736.db2.gz AUNDNVKTWAODFJ-VHSXEESVSA-N 2 0 261.326 -0.308 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CCO1 ZINC001168091646 820144059 /nfs/dbraw/zinc/14/40/59/820144059.db2.gz AUNDNVKTWAODFJ-ZJUUUORDSA-N 2 0 261.326 -0.308 20 0 CBADRP NC(=O)C[NH2+]CC1(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001168147632 820145780 /nfs/dbraw/zinc/14/57/80/820145780.db2.gz VLENNYWBGZDEIP-UHFFFAOYSA-N 2 0 282.388 -0.556 20 0 CBADRP C[NH+](C)C1CCC([NH2+][C@@H](CC(N)=O)C(N)=O)CC1 ZINC001168311915 820155826 /nfs/dbraw/zinc/15/58/26/820155826.db2.gz DVAQKMGSIUQGDB-RTBKNWGFSA-N 2 0 256.350 -0.822 20 0 CBADRP [NH3+]CCS(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001168353670 820159397 /nfs/dbraw/zinc/15/93/97/820159397.db2.gz PTBYTLPCDKNBKN-UHFFFAOYSA-N 2 0 261.391 -0.261 20 0 CBADRP NC(=[NH2+])c1nccn1-c1cncc(N2CCC([NH3+])CC2)n1 ZINC001168410526 820160490 /nfs/dbraw/zinc/16/04/90/820160490.db2.gz NRJPTCVIYSUSNS-UHFFFAOYSA-N 2 0 286.343 -0.126 20 0 CBADRP [NH3+]Cc1nc(=O)[nH]n1-c1ccc(CN2CC[NH2+]CC2)cc1 ZINC001168761488 820180126 /nfs/dbraw/zinc/18/01/26/820180126.db2.gz RBDFKMJTLOYDRL-UHFFFAOYSA-N 2 0 288.355 -0.163 20 0 CBADRP COC(=O)[C@@H](C[NH3+])CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169099722 820207177 /nfs/dbraw/zinc/20/71/77/820207177.db2.gz UHHRFPXBMUPYBV-FIQHERPVSA-N 2 0 255.362 -0.051 20 0 CBADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N(CC[NH3+])S(C)(=O)=O)C2 ZINC001169081630 820207334 /nfs/dbraw/zinc/20/73/34/820207334.db2.gz USKCQNSUCGPNCI-JGPRNRPPSA-N 2 0 261.391 -0.168 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169127587 820210095 /nfs/dbraw/zinc/21/00/95/820210095.db2.gz QJCKVDQKRRPUGT-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169127358 820211334 /nfs/dbraw/zinc/21/13/34/820211334.db2.gz MPUBKGPELAUGIW-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP CC[NH+]1CCC(NCCC[NH+](CCO)CCO)CC1 ZINC001169221490 820213679 /nfs/dbraw/zinc/21/36/79/820213679.db2.gz IYDHVGCVZVYMBG-UHFFFAOYSA-N 2 0 273.421 -0.263 20 0 CBADRP [NH3+]Cc1cnnn1-c1cncc(N2CCC([NH3+])CC2)n1 ZINC001169308822 820225538 /nfs/dbraw/zinc/22/55/38/820225538.db2.gz QXPPJQOPROJEEK-UHFFFAOYSA-N 2 0 274.332 -0.557 20 0 CBADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCOCC[NH3+])CO1 ZINC001169318913 820230294 /nfs/dbraw/zinc/23/02/94/820230294.db2.gz GBYKXTWSDKBIKL-WDEREUQCSA-N 2 0 260.334 -0.338 20 0 CBADRP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])C1 ZINC001169507395 820249600 /nfs/dbraw/zinc/24/96/00/820249600.db2.gz SGZZHZVLSULQTI-SYQHCUMBSA-N 2 0 285.388 -0.078 20 0 CBADRP c1cnc(N2CC[NH2+]CC2)c(NC[C@@H]2COCC[NH2+]2)n1 ZINC001170030770 820274466 /nfs/dbraw/zinc/27/44/66/820274466.db2.gz DRZLTKMTXCZIDG-LLVKDONJSA-N 2 0 278.360 -0.714 20 0 CBADRP [NH3+]C1CCN(c2nccc(NC[C@H]3COCC[NH2+]3)n2)CC1 ZINC001170035824 820274738 /nfs/dbraw/zinc/27/47/38/820274738.db2.gz PRSBRACIATUQJT-LBPRGKRZSA-N 2 0 292.387 -0.196 20 0 CBADRP C[C@@H]1CN(c2ccc(NC[C@H]3COCC[NH2+]3)nn2)CC[NH2+]1 ZINC001170034364 820274866 /nfs/dbraw/zinc/27/48/66/820274866.db2.gz CCSRXMLQQFNDSM-NEPJUHHUSA-N 2 0 292.387 -0.325 20 0 CBADRP COc1c(NC[C@@H]2COCC[NH2+]2)ncnc1C1C[NH2+]C1 ZINC001170044228 820275283 /nfs/dbraw/zinc/27/52/83/820275283.db2.gz LOGNYYWMUTYSMR-SNVBAGLBSA-N 2 0 279.344 -0.428 20 0 CBADRP c1nc(O[C@H]2CC[NH2+]C2)ncc1NC[C@@H]1COCC[NH2+]1 ZINC001170044652 820276648 /nfs/dbraw/zinc/27/66/48/820276648.db2.gz NNRWGZYRWPERTC-NEPJUHHUSA-N 2 0 279.344 -0.382 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NC(C)C ZINC001170211036 820280340 /nfs/dbraw/zinc/28/03/40/820280340.db2.gz HAEYMXPPJLJQJO-UHFFFAOYSA-N 2 0 286.420 -0.051 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001170212409 820280426 /nfs/dbraw/zinc/28/04/26/820280426.db2.gz XSZLZBDQFJIMLN-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1ncnn1C ZINC001170211436 820280783 /nfs/dbraw/zinc/28/07/83/820280783.db2.gz KWDNDSGLQFPIGX-UHFFFAOYSA-N 2 0 282.392 -0.247 20 0 CBADRP CN(CC[NH3+])CCNc1ncnc2c1C[NH2+]CC2 ZINC001170497538 820293949 /nfs/dbraw/zinc/29/39/49/820293949.db2.gz LLCBZGFTVWJFPG-UHFFFAOYSA-N 2 0 250.350 -0.575 20 0 CBADRP CN(CC[NH3+])CCNc1ccnc(N2CC[NH2+]CC2)n1 ZINC001170498184 820295878 /nfs/dbraw/zinc/29/58/78/820295878.db2.gz UFCPHVJVPSDTFP-UHFFFAOYSA-N 2 0 279.392 -0.811 20 0 CBADRP CN(CC[NH3+])CCNc1[nH+]ncc2c1OCCN2C ZINC001170498829 820296008 /nfs/dbraw/zinc/29/60/08/820296008.db2.gz NUFPLFAVXUDYIZ-UHFFFAOYSA-N 2 0 266.349 -0.392 20 0 CBADRP COc1c(N[C@H](C)[C@H]2C[NH2+]CCO2)ncnc1C1C[NH2+]C1 ZINC001170566606 820305409 /nfs/dbraw/zinc/30/54/09/820305409.db2.gz AGECDFKYWXJDTM-MWLCHTKSSA-N 2 0 293.371 -0.039 20 0 CBADRP C[C@H](Nc1ccnc(N2CC[NH2+]CC2)n1)[C@@H]1C[NH2+]CCO1 ZINC001170557941 820305837 /nfs/dbraw/zinc/30/58/37/820305837.db2.gz JEYJQPODCWIEKA-RYUDHWBXSA-N 2 0 292.387 -0.325 20 0 CBADRP C[C@@H](Nc1nccnc1N1CC[NH2+]CC1)[C@@H]1C[NH2+]CCO1 ZINC001170558024 820306439 /nfs/dbraw/zinc/30/64/39/820306439.db2.gz KEGAOWNEGIZQIR-NEPJUHHUSA-N 2 0 292.387 -0.325 20 0 CBADRP C[C@H](Nc1nccc(C2C[NH2+]C2)n1)[C@H]1C[NH2+]CCO1 ZINC001170574910 820307977 /nfs/dbraw/zinc/30/79/77/820307977.db2.gz XRWGVUHQFWNIMW-JOYOIKCWSA-N 2 0 263.345 -0.048 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@@H]1Nc1cc(N2CCOCC2)cc[nH+]1 ZINC001170772417 820315965 /nfs/dbraw/zinc/31/59/65/820315965.db2.gz CIXMSRBINSIIJN-AAEUAGOBSA-N 2 0 278.356 -0.090 20 0 CBADRP COC(=O)Cc1cc(N[C@@H]2C[NH2+]C[C@@H]2CO)cc[nH+]1 ZINC001170780535 820322047 /nfs/dbraw/zinc/32/20/47/820322047.db2.gz GSADYLMTWXWMEN-BXKDBHETSA-N 2 0 265.313 -0.211 20 0 CBADRP C[NH+]1CCN(c2ccc(N[C@@H]3C[NH2+]C[C@H]3CO)nc2)CC1 ZINC001170787888 820325988 /nfs/dbraw/zinc/32/59/88/820325988.db2.gz GQJMJWXWMGWQMH-GXTWGEPZSA-N 2 0 291.399 -0.174 20 0 CBADRP COC(=O)c1nc(Cl)c(F)c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001170897346 820332438 /nfs/dbraw/zinc/33/24/38/820332438.db2.gz NHWHNIDFQPBVFQ-RXMQYKEDSA-N 2 0 291.714 -0.087 20 0 CBADRP C[C@@]1(c2cccnc2N[C@@H]([NH3+])CCC[NH3+])NC(=O)NC1=O ZINC001170897875 820333298 /nfs/dbraw/zinc/33/32/98/820333298.db2.gz PRFLCPHWJUZAEH-RNCFNFMXSA-N 2 0 292.343 -0.428 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(N2CCOCC2)nn1 ZINC001170895829 820333644 /nfs/dbraw/zinc/33/36/44/820333644.db2.gz YRZNEFXQDMWVPI-SNVBAGLBSA-N 2 0 266.349 -0.251 20 0 CBADRP CN(C)C(=O)c1ccc(N[C@H]([NH3+])CCC[NH3+])nn1 ZINC001170897935 820333953 /nfs/dbraw/zinc/33/39/53/820333953.db2.gz QQDQVCUKIZUYEM-VIFPVBQESA-N 2 0 252.322 -0.386 20 0 CBADRP COc1c(N[C@@H]([NH3+])CCC[NH3+])ncnc1C1C[NH2+]C1 ZINC001170900730 820334995 /nfs/dbraw/zinc/33/49/95/820334995.db2.gz XPWBYYVCNYFQLL-SECBINFHSA-N 3 0 266.349 -0.392 20 0 CBADRP CCOC(=O)CN(CC[NH3+])c1ncnc2c1C[NH2+]CC2 ZINC001170993161 820342043 /nfs/dbraw/zinc/34/20/43/820342043.db2.gz ZWMATCDCRRIKEO-UHFFFAOYSA-N 2 0 279.344 -0.550 20 0 CBADRP Cn1ccc(C[NH2+]CCCNC(=O)COCC[NH+](C)C)n1 ZINC001171205152 820348808 /nfs/dbraw/zinc/34/88/08/820348808.db2.gz NYCJAFRVWVZFHR-UHFFFAOYSA-N 2 0 297.403 -0.406 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001171217485 820350256 /nfs/dbraw/zinc/35/02/56/820350256.db2.gz NTPQYYAURWVYBB-NEPJUHHUSA-N 2 0 282.388 -0.687 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC(=O)N2CCC2)C1 ZINC001171216890 820351422 /nfs/dbraw/zinc/35/14/22/820351422.db2.gz KKZCBVDHBAJJCN-CYBMUJFWSA-N 2 0 296.415 -0.344 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303260 820355941 /nfs/dbraw/zinc/35/59/41/820355941.db2.gz CMYKVBIWZZLAAR-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP O=C(NCCC[NH2+][C@H]1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001171312017 820356203 /nfs/dbraw/zinc/35/62/03/820356203.db2.gz XNIAXJYVVACUJZ-NSHDSACASA-N 2 0 280.372 -0.933 20 0 CBADRP Cn1cnnc1C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303571 820356371 /nfs/dbraw/zinc/35/63/71/820356371.db2.gz QVIUXZVJPVFNJI-UHFFFAOYSA-N 2 0 292.387 -0.493 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001171293390 820356783 /nfs/dbraw/zinc/35/67/83/820356783.db2.gz ILGWYQXBWSVFIE-NSHDSACASA-N 2 0 282.388 -0.558 20 0 CBADRP O=C(C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2)NC1CC1 ZINC001171303598 820357189 /nfs/dbraw/zinc/35/71/89/820357189.db2.gz SPXDTEAEKFEFDO-UHFFFAOYSA-N 2 0 294.399 -0.543 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001171293376 820357383 /nfs/dbraw/zinc/35/73/83/820357383.db2.gz ILGWYQXBWSVFIE-LLVKDONJSA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)c1c[nH+]ccc1N(C)C)C(N)=O ZINC001171354595 820359021 /nfs/dbraw/zinc/35/90/21/820359021.db2.gz QLPVJDKDHNVRLR-SNVBAGLBSA-N 2 0 293.371 -0.269 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)NCCC[NH2+]CC(N)=O ZINC001171354176 820359722 /nfs/dbraw/zinc/35/97/22/820359722.db2.gz JLZUJJVRRUPACW-UHFFFAOYSA-N 2 0 279.344 -0.658 20 0 CBADRP Cn1nnnc1C[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171576096 820362248 /nfs/dbraw/zinc/36/22/48/820362248.db2.gz OWEYKMVSVISAFM-UHFFFAOYSA-N 2 0 297.407 -0.462 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171579254 820363091 /nfs/dbraw/zinc/36/30/91/820363091.db2.gz RUNLFBMBANDWNP-CYBMUJFWSA-N 2 0 289.420 -0.179 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001171762435 820369370 /nfs/dbraw/zinc/36/93/70/820369370.db2.gz DQPPIQFYWPOBLT-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)NCC ZINC001171762441 820369479 /nfs/dbraw/zinc/36/94/79/820369479.db2.gz DVYSNBBHDZRVKO-UHFFFAOYSA-N 2 0 272.393 -0.440 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NC ZINC001171725791 820370506 /nfs/dbraw/zinc/37/05/06/820370506.db2.gz QXBZUNKUEGWMML-UHFFFAOYSA-N 2 0 272.393 -0.440 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001171762795 820371081 /nfs/dbraw/zinc/37/10/81/820371081.db2.gz LHLNFIGAFLUUBJ-LLVKDONJSA-N 2 0 298.387 -0.771 20 0 CBADRP COC(=O)[C@@H](C[NH3+])C[NH2+][C@H]1CCN(C2CC2)C(=O)C1 ZINC001172003605 820373161 /nfs/dbraw/zinc/37/31/61/820373161.db2.gz ZFAHVHMQRGXSBI-UWVGGRQHSA-N 2 0 269.345 -0.523 20 0 CBADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@H]1CCN(C2CC2)C(=O)C1 ZINC001172003607 820373935 /nfs/dbraw/zinc/37/39/35/820373935.db2.gz ZFAHVHMQRGXSBI-ZJUUUORDSA-N 2 0 269.345 -0.523 20 0 CBADRP CCN1CC[C@H]([NH2+]C[C@@H](C[NH3+])C(=O)OC)CC1=O ZINC001172026846 820378471 /nfs/dbraw/zinc/37/84/71/820378471.db2.gz QWVCBZHPNPKHPO-ZJUUUORDSA-N 2 0 257.334 -0.665 20 0 CBADRP CCN1CC[C@@H]([NH+]2CCN(CCC[NH3+])CC2)CC1=O ZINC001172033642 820379309 /nfs/dbraw/zinc/37/93/09/820379309.db2.gz QAHRIEFIVKPPSD-CYBMUJFWSA-N 2 0 268.405 -0.036 20 0 CBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(CO)(CO)CO)C2 ZINC001172108148 820381119 /nfs/dbraw/zinc/38/11/19/820381119.db2.gz QHBIXHPHFJCHCO-ZSBIGDGJSA-N 2 0 258.362 -0.693 20 0 CBADRP CN(CC[NH3+])CC[NH2+]C1C[C@@H]2COC[C@H](C1)N2C ZINC001172134556 820382951 /nfs/dbraw/zinc/38/29/51/820382951.db2.gz UCMHDSVDMLAPSV-YHWZYXNKSA-N 2 0 256.394 -0.672 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])N[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172149238 820384021 /nfs/dbraw/zinc/38/40/21/820384021.db2.gz FTSWSFKDZKTVEE-GHMZBOCLSA-N 2 0 267.377 -0.007 20 0 CBADRP COCCC[NH+]1CCC([NH2+]CCN(C)CC[NH3+])CC1 ZINC001172247390 820393086 /nfs/dbraw/zinc/39/30/86/820393086.db2.gz ITCCGFGGMFANSY-UHFFFAOYSA-N 3 0 272.437 -0.033 20 0 CBADRP CCOCC[C@@H](C)[NH2+]CCN(CC[NH3+])N(O)N=O ZINC001172414229 820394861 /nfs/dbraw/zinc/39/48/61/820394861.db2.gz FTWNLCZTMRVCGE-SNVBAGLBSA-N 2 0 263.342 -0.061 20 0 CBADRP COC(=O)N1CCC([NH+]2CCN(CC[NH3+])CC2)CC1 ZINC001172732302 820397185 /nfs/dbraw/zinc/39/71/85/820397185.db2.gz PNZROWHPWSYBOW-UHFFFAOYSA-N 2 0 270.377 -0.207 20 0 CBADRP CC[N@@H+]1CC[C@H](n2cnc(C[C@H]([NH3+])C(N)=O)c2)C1 ZINC001173356294 820402771 /nfs/dbraw/zinc/40/27/71/820402771.db2.gz GHTYZIQASRGQKC-QWRGUYRKSA-N 2 0 251.334 -0.495 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH3+])C[C@@H]1C(=O)OC ZINC001173583107 820407858 /nfs/dbraw/zinc/40/78/58/820407858.db2.gz QGKAMPFLXIUTRM-XWLWVQCSSA-N 2 0 272.345 -0.088 20 0 CBADRP [NH3+]CCN1CC[NH+]([C@@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173734601 820409284 /nfs/dbraw/zinc/40/92/84/820409284.db2.gz NUVYGMTULKCUIA-CHWSQXEVSA-N 2 0 279.392 -0.267 20 0 CBADRP [NH3+]CCOCC[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173743066 820410567 /nfs/dbraw/zinc/41/05/67/820410567.db2.gz PLBQQIJVYFAELN-WDEREUQCSA-N 2 0 254.338 -0.278 20 0 CBADRP C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)Cc1c[nH]cn1 ZINC001175479687 820426680 /nfs/dbraw/zinc/42/66/80/820426680.db2.gz RXVRODUJEVWETK-SNVBAGLBSA-N 2 0 281.360 -0.298 20 0 CBADRP CCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176071602 820437708 /nfs/dbraw/zinc/43/77/08/820437708.db2.gz GQSIGTKYCVLIOV-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1)c1nnnn1C ZINC001176058607 820438333 /nfs/dbraw/zinc/43/83/33/820438333.db2.gz YYHVWDJDBIIIDU-GHMZBOCLSA-N 2 0 295.391 -0.681 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176072206 820438921 /nfs/dbraw/zinc/43/89/21/820438921.db2.gz MWELOCIFGSFKSM-LLVKDONJSA-N 2 0 270.377 -0.830 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176095484 820440695 /nfs/dbraw/zinc/44/06/95/820440695.db2.gz COKDKPHZMSZJMB-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP O=C(C[NH+]1CCCC1)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001176110512 820441442 /nfs/dbraw/zinc/44/14/42/820441442.db2.gz UVYMQLQFYOKWSO-UHFFFAOYSA-N 2 0 296.415 -0.296 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[NH2+]CC(N)=O ZINC001176845135 820468046 /nfs/dbraw/zinc/46/80/46/820468046.db2.gz PTNWUUNSJKOVLJ-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001176845398 820470453 /nfs/dbraw/zinc/47/04/53/820470453.db2.gz RWYIBEBQZKRUJN-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[NH2+]CCO ZINC001176857669 820472471 /nfs/dbraw/zinc/47/24/71/820472471.db2.gz YHJBZYNJIFLLTM-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP O=C(CCC[NH+]1CCCC1)NCCC[NH2+][C@H]1CCNC1=O ZINC001176884528 820475476 /nfs/dbraw/zinc/47/54/76/820475476.db2.gz LQOZCKFRKZLCGS-ZDUSSCGKSA-N 2 0 296.415 -0.153 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176930401 820480631 /nfs/dbraw/zinc/48/06/31/820480631.db2.gz JLPUOPQBATXVHC-UHFFFAOYSA-N 2 0 284.404 -0.296 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001176971813 820484450 /nfs/dbraw/zinc/48/44/50/820484450.db2.gz ISYGRRIDFWGWDV-UHFFFAOYSA-N 2 0 282.392 -0.249 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001176972027 820484796 /nfs/dbraw/zinc/48/47/96/820484796.db2.gz LDXWVLZHWYEZOP-LLVKDONJSA-N 2 0 270.377 -0.689 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001176972224 820484846 /nfs/dbraw/zinc/48/48/46/820484846.db2.gz RMLUNFSTVUPJOH-UHFFFAOYSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC ZINC001176986250 820485207 /nfs/dbraw/zinc/48/52/07/820485207.db2.gz IVJNGCYUDCYTBO-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]Cc1ncnn1C ZINC001176971834 820485354 /nfs/dbraw/zinc/48/53/54/820485354.db2.gz JGSKLFNOGJTZNT-UHFFFAOYSA-N 2 0 282.392 -0.249 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001176986453 820486356 /nfs/dbraw/zinc/48/63/56/820486356.db2.gz OTWZNONLQJDHDP-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001176999447 820486403 /nfs/dbraw/zinc/48/64/03/820486403.db2.gz WRQDHGFLVKOYPG-ZDUSSCGKSA-N 2 0 284.404 -0.312 20 0 CBADRP NC(=O)C[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177333724 820504823 /nfs/dbraw/zinc/50/48/23/820504823.db2.gz XZALDSGHIPAYFB-UHFFFAOYSA-N 2 0 284.404 -0.166 20 0 CBADRP Cn1cnnc1CCC(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001177432698 820517862 /nfs/dbraw/zinc/51/78/62/820517862.db2.gz NRUWDOKHEQSPPR-UHFFFAOYSA-N 2 0 267.337 -0.791 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC(N)=O ZINC001178045151 820558013 /nfs/dbraw/zinc/55/80/13/820558013.db2.gz DZVYOBVRWOGGAK-GFCCVEGCSA-N 2 0 284.404 -0.168 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H]1CCc2nccn2C1 ZINC001178118468 820563422 /nfs/dbraw/zinc/56/34/22/820563422.db2.gz BOQOVIUCJHMBHU-JTQLQIEISA-N 2 0 278.360 -0.094 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1CCCC[N@@H+]1C ZINC001178702737 820595793 /nfs/dbraw/zinc/59/57/93/820595793.db2.gz YGASAIJENFEVKP-LLVKDONJSA-N 2 0 271.361 -0.179 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001178702739 820598054 /nfs/dbraw/zinc/59/80/54/820598054.db2.gz YGASAIJENFEVKP-NSHDSACASA-N 2 0 271.361 -0.179 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)CCC[NH+](C)C ZINC001179439650 820628948 /nfs/dbraw/zinc/62/89/48/820628948.db2.gz VGDYUMCMQKLKEW-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001179482503 820629774 /nfs/dbraw/zinc/62/97/74/820629774.db2.gz VLCYVGCAJFYOQD-AAEUAGOBSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C)[NH+](C)C ZINC001179550264 820631752 /nfs/dbraw/zinc/63/17/52/820631752.db2.gz VFRYILCKNXFOCP-AVGNSLFASA-N 2 0 298.431 -0.006 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)[C@@H]1C ZINC001179852150 820643662 /nfs/dbraw/zinc/64/36/62/820643662.db2.gz AQCFIFAVAVDEKK-WOPDTQHZSA-N 2 0 284.404 -0.219 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001179987399 820646848 /nfs/dbraw/zinc/64/68/48/820646848.db2.gz UYAWHBDJSZNGAG-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)[C@@H]1C ZINC001179986884 820647571 /nfs/dbraw/zinc/64/75/71/820647571.db2.gz FPJMGNZYOBWLPL-RWMBFGLXSA-N 2 0 296.415 -0.204 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124378 820650046 /nfs/dbraw/zinc/65/00/46/820650046.db2.gz IKASLLFEXDBKJZ-CRWXNKLISA-N 2 0 299.415 -0.476 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001180226958 820654947 /nfs/dbraw/zinc/65/49/47/820654947.db2.gz VPAOZYIHYXTZFA-QWRGUYRKSA-N 2 0 270.377 -0.609 20 0 CBADRP CC(C)[NH+]1CCN(CC(=O)N2CC3(C2)C[NH+](C)C3)CC1 ZINC001180347039 820670472 /nfs/dbraw/zinc/67/04/72/820670472.db2.gz SIUPSEBBAUDNAV-UHFFFAOYSA-N 2 0 280.416 -0.214 20 0 CBADRP C[NH+]1CC2(CN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)C2)C1 ZINC001180613414 820699584 /nfs/dbraw/zinc/69/95/84/820699584.db2.gz IIXOKLOTYKGKCM-UHFFFAOYSA-N 2 0 294.399 -0.652 20 0 CBADRP CC(=O)N1CCC[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001180682718 820709250 /nfs/dbraw/zinc/70/92/50/820709250.db2.gz DOPQULQJUCJVAC-NSHDSACASA-N 2 0 283.376 -0.294 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001181651524 820808029 /nfs/dbraw/zinc/80/80/29/820808029.db2.gz CPDKYLDHJDPQFK-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001181652623 820808669 /nfs/dbraw/zinc/80/86/69/820808669.db2.gz NNKPFPQMKASWRT-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP N=c1cc(C[NH3+])ncn1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182017586 820850972 /nfs/dbraw/zinc/85/09/72/820850972.db2.gz MKXXGUANLJDUFS-NSHDSACASA-N 2 0 261.329 -0.197 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1C[C@H]1C(N)=O ZINC001182391300 820913323 /nfs/dbraw/zinc/91/33/23/820913323.db2.gz NHQYHKWDTHFYIG-BDAKNGLRSA-N 2 0 269.349 -0.828 20 0 CBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001182623016 820931518 /nfs/dbraw/zinc/93/15/18/820931518.db2.gz BMQOTPLXDVYFDV-KGLIPLIRSA-N 2 0 281.400 -0.099 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183229320 820982908 /nfs/dbraw/zinc/98/29/08/820982908.db2.gz IISOMSFUOMORQG-NWDGAFQWSA-N 2 0 296.415 -0.204 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183267259 820985947 /nfs/dbraw/zinc/98/59/47/820985947.db2.gz KXTKSOXMDMKGTP-TZMCWYRMSA-N 2 0 296.415 -0.395 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001183289056 820989762 /nfs/dbraw/zinc/98/97/62/820989762.db2.gz QVOHANMLBUHKFH-LLVKDONJSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)CC)C1)[NH+](C)C ZINC001183580955 821006610 /nfs/dbraw/zinc/00/66/10/821006610.db2.gz AOYLRSZFMBGTQS-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001183647050 821011652 /nfs/dbraw/zinc/01/16/52/821011652.db2.gz BVBCKSRXKLGERM-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001183647709 821012841 /nfs/dbraw/zinc/01/28/41/821012841.db2.gz IQDLCURUSQISKD-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001183760410 821032356 /nfs/dbraw/zinc/03/23/56/821032356.db2.gz YMVZPLFOVURLQK-SNVBAGLBSA-N 2 0 270.377 -0.608 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C[C@@H](O)C(F)(F)F ZINC001184038197 821046910 /nfs/dbraw/zinc/04/69/10/821046910.db2.gz HDDXCFLNUXHAKJ-ZCFIWIBFSA-N 2 0 270.255 -0.239 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(=O)N(C)C ZINC001184868399 821091472 /nfs/dbraw/zinc/09/14/72/821091472.db2.gz RPCFZCYUZVLNAX-JHJVBQTASA-N 2 0 296.415 -0.252 20 0 CBADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C[NH2+]CC(N)=O ZINC001185032010 821097120 /nfs/dbraw/zinc/09/71/20/821097120.db2.gz SKFRBKMCYBHYPE-STQMWFEESA-N 2 0 298.431 -0.112 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]CCO)C2)CC1 ZINC001185212774 821103108 /nfs/dbraw/zinc/10/31/08/821103108.db2.gz CGJRSILBEHSNSK-LLVKDONJSA-N 2 0 255.362 -0.489 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185229831 821103746 /nfs/dbraw/zinc/10/37/46/821103746.db2.gz IITRTTFGRXHQDC-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@H]1C[N@H+](C)CCN1C ZINC001185246100 821110020 /nfs/dbraw/zinc/11/00/20/821110020.db2.gz ZLMPHHPLRYIMAO-GFCCVEGCSA-N 2 0 256.394 -0.310 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC001185255755 821112756 /nfs/dbraw/zinc/11/27/56/821112756.db2.gz AZYGQJIBGOWLST-XQQFMLRXSA-N 2 0 266.389 -0.748 20 0 CBADRP CN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001185265633 821119374 /nfs/dbraw/zinc/11/93/74/821119374.db2.gz RLUNLGDCSHUZAF-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185385842 821126492 /nfs/dbraw/zinc/12/64/92/821126492.db2.gz VJUAVPMZLJQTRY-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185408380 821128226 /nfs/dbraw/zinc/12/82/26/821128226.db2.gz QSKUYTDSZGCNBR-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001185546817 821135262 /nfs/dbraw/zinc/13/52/62/821135262.db2.gz DNJHDUSQFYOHRA-OLZOCXBDSA-N 2 0 298.431 -0.112 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001185650687 821137026 /nfs/dbraw/zinc/13/70/26/821137026.db2.gz LOODLDKBUVDPPC-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001185676308 821138180 /nfs/dbraw/zinc/13/81/80/821138180.db2.gz UBUOKUHWWJLBRO-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001185763291 821139805 /nfs/dbraw/zinc/13/98/05/821139805.db2.gz RYEWTHSHBCWINI-CHWSQXEVSA-N 2 0 298.431 -0.114 20 0 CBADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@H](O)C2)C1 ZINC001186044396 821155504 /nfs/dbraw/zinc/15/55/04/821155504.db2.gz GOWADYKMKKTBEW-STQMWFEESA-N 2 0 269.389 -0.006 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CN1CC[C@H](O)C1 ZINC001186056545 821165753 /nfs/dbraw/zinc/16/57/53/821165753.db2.gz FSCZICVMZICDCN-NSHDSACASA-N 2 0 285.392 -0.883 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001186824785 821199330 /nfs/dbraw/zinc/19/93/30/821199330.db2.gz LMYJVLWHUWCEMF-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001186833173 821201560 /nfs/dbraw/zinc/20/15/60/821201560.db2.gz AIIARFTXFLBMNJ-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001186834477 821202127 /nfs/dbraw/zinc/20/21/27/821202127.db2.gz PCYDQMZFJXAYEM-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121093 821212280 /nfs/dbraw/zinc/21/22/80/821212280.db2.gz BZZKJEIZPJCOOY-GFCCVEGCSA-N 2 0 294.399 -0.639 20 0 CBADRP COCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187122660 821214368 /nfs/dbraw/zinc/21/43/68/821214368.db2.gz YHINKBHCFUUZSZ-GFCCVEGCSA-N 2 0 267.373 -0.081 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187231193 821219673 /nfs/dbraw/zinc/21/96/73/821219673.db2.gz IKXQXHYJPPFPOQ-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[NH2+]CCN(CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001279731046 828337533 /nfs/dbraw/zinc/33/75/33/828337533.db2.gz JSTFHDAMARNCOT-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP CNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001280294883 828347387 /nfs/dbraw/zinc/34/73/87/828347387.db2.gz GLUWFOLZERDXHO-OLZOCXBDSA-N 2 0 296.415 -0.488 20 0 CBADRP COCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001280666394 828370586 /nfs/dbraw/zinc/37/05/86/828370586.db2.gz FWTDLBHZWYVWPL-UONOGXRCSA-N 2 0 299.415 -0.208 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001187276509 822263110 /nfs/dbraw/zinc/26/31/10/822263110.db2.gz MDPKDWMXAVKHJC-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP COCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187835208 822297100 /nfs/dbraw/zinc/29/71/00/822297100.db2.gz RKDDMLCINRNNOD-GFCCVEGCSA-N 2 0 255.362 -0.081 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187819004 822297445 /nfs/dbraw/zinc/29/74/45/822297445.db2.gz XJVPACHRRLLBHT-CHWSQXEVSA-N 2 0 296.415 -0.347 20 0 CBADRP COCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187825704 822298740 /nfs/dbraw/zinc/29/87/40/822298740.db2.gz RTNAUVMLLHLEFX-VXGBXAGGSA-N 2 0 255.362 -0.225 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106229 822320712 /nfs/dbraw/zinc/32/07/12/822320712.db2.gz DSOWHEFEOQSWSC-GFCCVEGCSA-N 2 0 282.388 -0.462 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCOCCO ZINC001282363712 828441996 /nfs/dbraw/zinc/44/19/96/828441996.db2.gz DPBWXRLKPRHBCC-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCO)C2)C1 ZINC001283102468 828496786 /nfs/dbraw/zinc/49/67/86/828496786.db2.gz PWVSSTOLSNWQSI-SRVKXCTJSA-N 2 0 255.362 -0.585 20 0 CBADRP C[C@@H](CCC[NH2+]CC(N)=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283189572 828505081 /nfs/dbraw/zinc/50/50/81/828505081.db2.gz AHJUFJBTYOCVPW-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(C)[C@H](C(=O)NCCNC(=O)CC[NH+](C)C)[NH+](C)C ZINC001283132683 828498422 /nfs/dbraw/zinc/49/84/22/828498422.db2.gz KWWNALZUYOOVMD-CYBMUJFWSA-N 2 0 286.420 -0.243 20 0 CBADRP CNC(=O)C[NH2+]CCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001283259073 828510342 /nfs/dbraw/zinc/51/03/42/828510342.db2.gz FCDFXKWQPMVJMH-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP O=C(NC[C@@H](CO)[NH2+]CC1CC1)C12CC[NH+](CC1)C2 ZINC001283815028 828552115 /nfs/dbraw/zinc/55/21/15/828552115.db2.gz BQSIFATVSZSDQC-LBPRGKRZSA-N 2 0 267.373 -0.441 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccc(CO)o1 ZINC001189159512 823739785 /nfs/dbraw/zinc/73/97/85/823739785.db2.gz XPILPWFHEMVXNI-UHFFFAOYSA-N 2 0 254.290 -0.154 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@H]([N@H+](C)CCO)C2)CC1 ZINC001192016665 823938599 /nfs/dbraw/zinc/93/85/99/823938599.db2.gz IBHFXECWBKKXDV-LBPRGKRZSA-N 2 0 269.389 -0.147 20 0 CBADRP COC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192161636 823952190 /nfs/dbraw/zinc/95/21/90/823952190.db2.gz JLSUILWDJZVUPD-CHWSQXEVSA-N 2 0 287.404 -0.522 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCCNC2=O)C1 ZINC001192161064 823953436 /nfs/dbraw/zinc/95/34/36/823953436.db2.gz GYFSIQUYONUJHM-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001284418558 828592905 /nfs/dbraw/zinc/59/29/05/828592905.db2.gz UVTJXSIYXQMQOQ-QWHCGFSZSA-N 2 0 269.389 -0.243 20 0 CBADRP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001284436783 828595330 /nfs/dbraw/zinc/59/53/30/828595330.db2.gz VBXLSUONRJIOTJ-NWDGAFQWSA-N 2 0 257.378 -0.102 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H](N(C)CC(N)=O)C1 ZINC001192958920 823993945 /nfs/dbraw/zinc/99/39/45/823993945.db2.gz HBXKJCIQYNKQAR-LLVKDONJSA-N 2 0 270.377 -0.654 20 0 CBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001193102090 824003002 /nfs/dbraw/zinc/00/30/02/824003002.db2.gz CVQQXMLRPKFREA-AAVRWANBSA-N 2 0 299.415 -0.476 20 0 CBADRP CN(C[C@H](O)C[NH2+]CC1CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001284468889 828599822 /nfs/dbraw/zinc/59/98/22/828599822.db2.gz OZOOZMNIDHNNTP-QWHCGFSZSA-N 2 0 269.389 -0.243 20 0 CBADRP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001284470486 828599870 /nfs/dbraw/zinc/59/98/70/828599870.db2.gz VLZOAGZTWIWFHH-VXGBXAGGSA-N 2 0 257.378 -0.245 20 0 CBADRP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001284470483 828599901 /nfs/dbraw/zinc/59/99/01/828599901.db2.gz VLZOAGZTWIWFHH-NEPJUHHUSA-N 2 0 257.378 -0.245 20 0 CBADRP Cn1c(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c[nH]c1=S ZINC001194256033 824065986 /nfs/dbraw/zinc/06/59/86/824065986.db2.gz CVRJCYZOCJOADK-UHFFFAOYSA-N 2 0 270.362 -0.217 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)CCO)C1 ZINC001194293306 824068951 /nfs/dbraw/zinc/06/89/51/824068951.db2.gz FVVSNEUEROHNEE-LBPRGKRZSA-N 2 0 257.378 -0.148 20 0 CBADRP CCOc1cc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cnn1 ZINC001194461987 824074902 /nfs/dbraw/zinc/07/49/02/824074902.db2.gz RQUJMKHBLVEIMB-UHFFFAOYSA-N 2 0 280.332 -0.050 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001195707964 824129376 /nfs/dbraw/zinc/12/93/76/824129376.db2.gz BSUBFOAENMEGTR-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708197 824129483 /nfs/dbraw/zinc/12/94/83/824129483.db2.gz HRUYYUGHLRCKBZ-YNEHKIRRSA-N 2 0 287.404 -0.476 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001195869414 824135821 /nfs/dbraw/zinc/13/58/21/824135821.db2.gz CUHIAOKAMZRULM-YNEHKIRRSA-N 2 0 285.388 -0.864 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[N@H+](CCCO)CC1 ZINC001197037738 824175988 /nfs/dbraw/zinc/17/59/88/824175988.db2.gz QVWLNFLUCNUTDR-UHFFFAOYSA-N 2 0 257.378 -0.145 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCC[N@H+](CCO)CC1 ZINC001197512194 824194827 /nfs/dbraw/zinc/19/48/27/824194827.db2.gz XLOJFMJYYOQBKL-UHFFFAOYSA-N 2 0 257.378 -0.145 20 0 CBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001197775894 824202455 /nfs/dbraw/zinc/20/24/55/824202455.db2.gz PLLRWOZFMDGIRP-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)CCOCC(=O)N1CCC[N@H+](CCO)CC1 ZINC001197832001 824204995 /nfs/dbraw/zinc/20/49/95/824204995.db2.gz GQRDIWAKOACKEJ-UHFFFAOYSA-N 2 0 273.377 -0.909 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CCCN(CC(N)=O)CC1 ZINC001197907685 824208407 /nfs/dbraw/zinc/20/84/07/824208407.db2.gz HHBBERXQZSCOBV-UHFFFAOYSA-N 2 0 284.404 -0.262 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cc(C(N)=O)cs1 ZINC001197969460 824210700 /nfs/dbraw/zinc/21/07/00/824210700.db2.gz DGPIVOUDNRYVKF-UHFFFAOYSA-N 2 0 283.357 -0.078 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC)C[C@H]1O ZINC001198038270 824215721 /nfs/dbraw/zinc/21/57/21/824215721.db2.gz NISVXBMFDJIFKK-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001199788752 824288404 /nfs/dbraw/zinc/28/84/04/824288404.db2.gz YZSSBQPCNQZIQV-DGCLKSJQSA-N 2 0 296.415 -0.204 20 0 CBADRP S=C(NCCCN1CCOCC1)N1CC[N@@H+]2CC[C@H]2C1 ZINC001199947811 824297079 /nfs/dbraw/zinc/29/70/79/824297079.db2.gz QGZOONQVVJORFM-ZDUSSCGKSA-N 2 0 298.456 -0.027 20 0 CBADRP CO[C@@H](C)C[NH2+]C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC001199942934 824297553 /nfs/dbraw/zinc/29/75/53/824297553.db2.gz BNHSTNZBFKGGON-GXTWGEPZSA-N 2 0 299.415 -0.068 20 0 CBADRP COCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200122692 824307885 /nfs/dbraw/zinc/30/78/85/824307885.db2.gz HPFBXDMGCBNJMK-ZIAGYGMSSA-N 2 0 299.415 -0.066 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCCO)C2)C1 ZINC001202058267 824341993 /nfs/dbraw/zinc/34/19/93/824341993.db2.gz JJBXIJWFHBNKCA-UONOGXRCSA-N 2 0 299.415 -0.472 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001202217777 824342177 /nfs/dbraw/zinc/34/21/77/824342177.db2.gz UOLDDALATUCCQI-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]([NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1)C(N)=O ZINC001202231140 824342621 /nfs/dbraw/zinc/34/26/21/824342621.db2.gz BBHHBVZZVXIRIV-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP Cn1cc(C[NH2+]C2CCN(C(=O)CC[NH+](C)C)CC2)nn1 ZINC001202316228 824346619 /nfs/dbraw/zinc/34/66/19/824346619.db2.gz RPWFNONNHAJSRI-UHFFFAOYSA-N 2 0 294.403 -0.153 20 0 CBADRP CC[C@H]([NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1)C(N)=O ZINC001202330481 824346666 /nfs/dbraw/zinc/34/66/66/824346666.db2.gz GJYDIHHDMLSCBN-LBPRGKRZSA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202331009 824346712 /nfs/dbraw/zinc/34/67/12/824346712.db2.gz NHXIZDNGDWXKHA-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203323288 824361228 /nfs/dbraw/zinc/36/12/28/824361228.db2.gz CPXOTXKYWJELND-RYUDHWBXSA-N 2 0 296.415 -0.170 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203351765 824361641 /nfs/dbraw/zinc/36/16/41/824361641.db2.gz ZLVHPIMSNDBHQS-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]CCCO)CC2)C1 ZINC001203699904 824362746 /nfs/dbraw/zinc/36/27/46/824362746.db2.gz WSWCOVIDXMOBML-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP [NH3+]C[C@@]1(O)CCC[N@H+](CC[C@H]2C[NH2+]CCO2)CC1 ZINC001205209316 824375931 /nfs/dbraw/zinc/37/59/31/824375931.db2.gz IMQISOQGYMHJOS-QWHCGFSZSA-N 3 0 257.378 -0.459 20 0 CBADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2c[nH]c(=O)[nH]c2=O)CC1 ZINC001205241673 824376225 /nfs/dbraw/zinc/37/62/25/824376225.db2.gz UPBVZTNKSKYNJF-GFCCVEGCSA-N 2 0 268.317 -0.437 20 0 CBADRP Nc1ncc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)cn1 ZINC001205220057 824376365 /nfs/dbraw/zinc/37/63/65/824376365.db2.gz JPMSPNBZOWTBJD-GFCCVEGCSA-N 2 0 251.334 -0.266 20 0 CBADRP C[C@H]1CNCC(F)(F)[C@@H]1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946055 824389810 /nfs/dbraw/zinc/38/98/10/824389810.db2.gz HUFOBWRHLKVROA-LNFKQOIKSA-N 2 0 263.332 -0.129 20 0 CBADRP [NH3+][C@@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)CC[C@H]1O ZINC001206101864 824393698 /nfs/dbraw/zinc/39/36/98/824393698.db2.gz BOCIRWSWQDEGPN-PSASIEDQSA-N 2 0 268.386 -0.317 20 0 CBADRP CC(C)[C@H](C(=O)N1CCC(C[NH2+]CC(N)=O)CC1)[NH+](C)C ZINC001206175808 824394767 /nfs/dbraw/zinc/39/47/67/824394767.db2.gz CMYDGUHGUJKQFL-CQSZACIVSA-N 2 0 298.431 -0.114 20 0 CBADRP [NH3+]C[C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)nc2)C[C@H]1O ZINC001206490485 824400547 /nfs/dbraw/zinc/40/05/47/824400547.db2.gz DYORVBKWTAGFAS-UONOGXRCSA-N 2 0 291.399 -0.757 20 0 CBADRP [NH3+]C[C@H]1CN(Cc2ccc3n2CC[NH2+]C3)C[C@H]1O ZINC001206469696 824400834 /nfs/dbraw/zinc/40/08/34/824400834.db2.gz TVOHHEVNDFSCQE-GXFFZTMASA-N 2 0 250.346 -0.657 20 0 CBADRP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2N2CC[NH2+]CC2)C[C@@H]1O ZINC001206519551 824401326 /nfs/dbraw/zinc/40/13/26/824401326.db2.gz MWHATNKCYRYUCZ-HOCLYGCPSA-N 3 0 290.411 -0.152 20 0 CBADRP CS(=O)(=O)Nc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206530356 824401359 /nfs/dbraw/zinc/40/13/59/824401359.db2.gz GOFOATLDAONOHZ-AAEUAGOBSA-N 2 0 299.396 -0.191 20 0 CBADRP [NH3+]C[C@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)C[C@@H]1O ZINC001206530418 824401449 /nfs/dbraw/zinc/40/14/49/824401449.db2.gz JHGHKDKFNPGHKW-WPRPVWTQSA-N 2 0 268.386 -0.460 20 0 CBADRP C[C@@H]1CNCC(F)(F)[C@@H]1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206511809 824401806 /nfs/dbraw/zinc/40/18/06/824401806.db2.gz CCNQUQABKPVGPQ-YTWAJWBKSA-N 2 0 263.332 -0.271 20 0 CBADRP [NH3+]C[C@H]1CN(Cc2ccc3n2CC[NH2+]C3)C[C@@H]1O ZINC001206520296 824401955 /nfs/dbraw/zinc/40/19/55/824401955.db2.gz TVOHHEVNDFSCQE-GWCFXTLKSA-N 2 0 250.346 -0.657 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+]CC(=O)NC)CC1 ZINC001206794104 824408658 /nfs/dbraw/zinc/40/86/58/824408658.db2.gz IYWONZYWFYPNRD-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP C[NH+]1CCC(C[N@@H+]2CCN3C(=O)COC[C@H]3C2)CC1 ZINC001207399571 824426708 /nfs/dbraw/zinc/42/67/08/824426708.db2.gz MZCYBUNGAIZZAU-CYBMUJFWSA-N 2 0 267.373 -0.129 20 0 CBADRP COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207441202 824427504 /nfs/dbraw/zinc/42/75/04/824427504.db2.gz WQXLERANERZQOD-LBPRGKRZSA-N 2 0 283.372 -0.260 20 0 CBADRP COC(=O)[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCN1C ZINC001207440660 824428069 /nfs/dbraw/zinc/42/80/69/824428069.db2.gz BGCIKCZEQWUYOA-LBPRGKRZSA-N 2 0 255.362 -0.225 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207684267 824433706 /nfs/dbraw/zinc/43/37/06/824433706.db2.gz LYZANHRNYADXIW-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)CCN1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001208128532 824447516 /nfs/dbraw/zinc/44/75/16/824447516.db2.gz JLURQBIPIGJVOG-UHFFFAOYSA-N 2 0 256.394 -0.356 20 0 CBADRP CC[NH+]1CCC(C[NH+]2CC(N3CCNC(=O)C3)C2)CC1 ZINC001208597020 824456705 /nfs/dbraw/zinc/45/67/05/824456705.db2.gz AFYDASRZNXNHCT-UHFFFAOYSA-N 2 0 280.416 -0.166 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209315798 824468853 /nfs/dbraw/zinc/46/88/53/824468853.db2.gz UEFXIIKHLGUHBS-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001209445042 824470810 /nfs/dbraw/zinc/47/08/10/824470810.db2.gz JWZIFRUBVPDMKY-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209454454 824471817 /nfs/dbraw/zinc/47/18/17/824471817.db2.gz LRORKHAKHAKBQW-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001209447123 824471837 /nfs/dbraw/zinc/47/18/37/824471837.db2.gz XPQYHOATASJOQS-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209455546 824471895 /nfs/dbraw/zinc/47/18/95/824471895.db2.gz USUPLAZQPWZJMR-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]CCOCCO)C1 ZINC001209455454 824472266 /nfs/dbraw/zinc/47/22/66/824472266.db2.gz SRGKJCJVVRCXMC-ZDUSSCGKSA-N 2 0 287.404 -0.472 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001209632145 824474344 /nfs/dbraw/zinc/47/43/44/824474344.db2.gz KGGYWLULCDOGAH-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C[C@@H]2C[NH2+]C(C)(C)O2)CCO1 ZINC001209856421 824476221 /nfs/dbraw/zinc/47/62/21/824476221.db2.gz CZZYMCLIWMSKTK-NWDGAFQWSA-N 2 0 257.378 -0.027 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210674446 824480789 /nfs/dbraw/zinc/48/07/89/824480789.db2.gz WHFJKNUTPNAJEN-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348432 824511121 /nfs/dbraw/zinc/51/11/21/824511121.db2.gz MDIHTRHEQLBRTD-JHJVBQTASA-N 2 0 287.404 -0.476 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1OC ZINC001213596955 824513571 /nfs/dbraw/zinc/51/35/71/824513571.db2.gz RQMSIBFYLNEEHG-JHJVBQTASA-N 2 0 287.404 -0.476 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214344207 824529616 /nfs/dbraw/zinc/52/96/16/824529616.db2.gz OGHGZCJKDAMNFV-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214861307 824536223 /nfs/dbraw/zinc/53/62/23/824536223.db2.gz PWZJLYBFDCTXFJ-DGCLKSJQSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)C(N)=O ZINC001215414326 824541748 /nfs/dbraw/zinc/54/17/48/824541748.db2.gz UAGAXRQERNPKMS-IJLUTSLNSA-N 2 0 296.415 -0.362 20 0 CBADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CCO ZINC001215413411 824542441 /nfs/dbraw/zinc/54/24/41/824542441.db2.gz FQHOFHYKEMLLMX-VXGBXAGGSA-N 2 0 269.389 -0.243 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215455747 824542468 /nfs/dbraw/zinc/54/24/68/824542468.db2.gz FUOXQLPTXYRMKL-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001215463427 824542479 /nfs/dbraw/zinc/54/24/79/824542479.db2.gz WOAXACOHECJBQL-JHJVBQTASA-N 2 0 296.415 -0.395 20 0 CBADRP C1[NH2+]CC12C[NH2+]C[C@@H]2c1nnc([C@@H]2CCOC2)o1 ZINC001217705035 824559540 /nfs/dbraw/zinc/55/95/40/824559540.db2.gz YHRWGPLZIUHCIT-RKDXNWHRSA-N 2 0 250.302 -0.150 20 0 CBADRP C(O[C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217793059 824561158 /nfs/dbraw/zinc/56/11/58/824561158.db2.gz LXYQSCXORSBSQD-VOAKCMCISA-N 2 0 268.357 -0.099 20 0 CBADRP C(OC[C@H]1C[NH2+]CCO1)[C@@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217822092 824562131 /nfs/dbraw/zinc/56/21/31/824562131.db2.gz KGXBENBJLBDTGN-RVMXOQNASA-N 2 0 256.346 -0.242 20 0 CBADRP [NH3+]CCOCCOCCOCCO[C@H]1CCC[NH2+]C1 ZINC001217860889 824563290 /nfs/dbraw/zinc/56/32/90/824563290.db2.gz PZTHIBUUWRORKP-ZDUSSCGKSA-N 2 0 276.377 -0.237 20 0 CBADRP NC(=O)[C@@H]([NH3+])Cc1ccc(O[C@@H]2COC3(C[NH2+]C3)C2)cc1 ZINC001218062310 824563815 /nfs/dbraw/zinc/56/38/15/824563815.db2.gz KSKJAFPUJQJRIR-STQMWFEESA-N 2 0 291.351 -0.449 20 0 CBADRP NC(=O)[C@@H]([NH3+])Cc1ccc(O[C@@H]2C[NH2+]CCOC2)cc1 ZINC001218044031 824564063 /nfs/dbraw/zinc/56/40/63/824564063.db2.gz LQOZXVUERGCFBQ-OLZOCXBDSA-N 2 0 279.340 -0.591 20 0 CBADRP O=C(Nc1nnco1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218500426 824570086 /nfs/dbraw/zinc/57/00/86/824570086.db2.gz BBAVEJGGOHLAEG-QMMMGPOBSA-N 2 0 251.290 -0.118 20 0 CBADRP Cn1ccc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001218498808 824570176 /nfs/dbraw/zinc/57/01/76/824570176.db2.gz YBDAHXCVLQKELJ-SNVBAGLBSA-N 2 0 266.349 -0.891 20 0 CBADRP Cc1cc(C[C@H](C)NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)on1 ZINC001218500227 824570477 /nfs/dbraw/zinc/57/04/77/824570477.db2.gz DZXSLYVZXCAQNR-JOYOIKCWSA-N 2 0 278.356 -0.161 20 0 CBADRP Cc1cc(C[C@@H](C)NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)on1 ZINC001218500225 824571092 /nfs/dbraw/zinc/57/10/92/824571092.db2.gz DZXSLYVZXCAQNR-BXKDBHETSA-N 2 0 278.356 -0.161 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cccnn1 ZINC001218510306 824574976 /nfs/dbraw/zinc/57/49/76/824574976.db2.gz SQQKZMBCGYJZJQ-SNVBAGLBSA-N 2 0 264.333 -0.835 20 0 CBADRP O=C(Nc1ccc(Cl)nn1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218509080 824575687 /nfs/dbraw/zinc/57/56/87/824575687.db2.gz PKMISQAGUYDHSG-ZETCQYMHSA-N 2 0 267.720 -0.123 20 0 CBADRP CCOC(=O)c1cc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])[nH]n1 ZINC001218510368 824576053 /nfs/dbraw/zinc/57/60/53/824576053.db2.gz KACXUZYMNHLOFM-QMMMGPOBSA-N 2 0 283.332 -0.019 20 0 CBADRP CSc1nccc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001218511511 824576440 /nfs/dbraw/zinc/57/64/40/824576440.db2.gz JFKHFDQWZMDRIH-QMMMGPOBSA-N 2 0 279.369 -0.054 20 0 CBADRP Cc1cc(O)cnc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218517113 824579035 /nfs/dbraw/zinc/57/90/35/824579035.db2.gz DGXLMAKXFODIQK-LBPRGKRZSA-N 2 0 293.371 -0.215 20 0 CBADRP Cc1cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n2ncnc2n1 ZINC001218527496 824584580 /nfs/dbraw/zinc/58/45/80/824584580.db2.gz LNFOTDJHLZQBRH-SECBINFHSA-N 2 0 287.327 -0.820 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218532710 824585082 /nfs/dbraw/zinc/58/50/82/824585082.db2.gz JEGHBADZBASDOY-RQJHMYQMSA-N 2 0 269.374 -0.426 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218533133 824585446 /nfs/dbraw/zinc/58/54/46/824585446.db2.gz KDOAUQONMGDSEX-FXQIFTODSA-N 2 0 281.385 -0.556 20 0 CBADRP COc1cc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)ncn1 ZINC001218535325 824585687 /nfs/dbraw/zinc/58/56/87/824585687.db2.gz IDQRHMIYKBQHAD-LLVKDONJSA-N 2 0 265.317 -0.249 20 0 CBADRP [NH3+]CCNCC(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218534416 824585766 /nfs/dbraw/zinc/58/57/66/824585766.db2.gz SVCKVTYQRQDRFU-SSDOTTSWSA-N 2 0 269.374 -0.554 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218532371 824585938 /nfs/dbraw/zinc/58/59/38/824585938.db2.gz FXOWYYJEOGTYBF-SFYZADRCSA-N 3 0 283.401 -0.036 20 0 CBADRP N[C@]1(C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)CC[NH2+]C1 ZINC001218535693 824586112 /nfs/dbraw/zinc/58/61/12/824586112.db2.gz ZIEACLHZGVUSJI-JMCQJSRRSA-N 2 0 281.385 -0.412 20 0 CBADRP N[C@@]1(C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)CC[NH2+]C1 ZINC001218535749 824587701 /nfs/dbraw/zinc/58/77/01/824587701.db2.gz ZIEACLHZGVUSJI-KRTXAFLBSA-N 2 0 281.385 -0.412 20 0 CBADRP Cc1noc(NC(=O)[C@H]([NH3+])CCC[NH3+])c1C(N)=O ZINC001218551947 824589558 /nfs/dbraw/zinc/58/95/58/824589558.db2.gz WLLQHBMSWQHOSA-ZCFIWIBFSA-N 2 0 255.278 -0.913 20 0 CBADRP CCOC(=O)c1n[nH]cc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218554148 824590731 /nfs/dbraw/zinc/59/07/31/824590731.db2.gz HXGLNJSVTOCWQI-QMMMGPOBSA-N 2 0 283.332 -0.019 20 0 CBADRP CCOC(=O)c1[nH]cnc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218558517 824592226 /nfs/dbraw/zinc/59/22/26/824592226.db2.gz CDISCWDODLZTFZ-VIFPVBQESA-N 2 0 295.343 -0.148 20 0 CBADRP O=C(Nc1[nH]nc2nccnc21)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218569310 824594887 /nfs/dbraw/zinc/59/48/87/824594887.db2.gz YDQSJJCAZLQARN-AMIZOPFISA-N 2 0 287.327 -0.558 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1c[nH]nc1C(N)=O ZINC001218565677 824594916 /nfs/dbraw/zinc/59/49/16/824594916.db2.gz YHBBXVWWTLKZLV-ZETCQYMHSA-N 2 0 268.321 -0.836 20 0 CBADRP O=C(Nc1noc2nccnc12)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218573442 824596389 /nfs/dbraw/zinc/59/63/89/824596389.db2.gz FMLCDNWRZHONBC-AMIZOPFISA-N 2 0 288.311 -0.245 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1c(N)[nH]c(=O)[nH]c1=O ZINC001218574282 824597710 /nfs/dbraw/zinc/59/77/10/824597710.db2.gz HVFQSJAWJLJLTN-ZETCQYMHSA-N 2 0 298.347 -0.532 20 0 CBADRP COC(=O)c1cncc(NC(=O)[C@@H]([NH3+])CCC[NH3+])n1 ZINC001218579287 824598970 /nfs/dbraw/zinc/59/89/70/824598970.db2.gz BNFYJTICOPCOGO-ZETCQYMHSA-N 2 0 267.289 -0.732 20 0 CBADRP COc1ncc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cn1 ZINC001218590955 824601037 /nfs/dbraw/zinc/60/10/37/824601037.db2.gz ZBAIJJOJJBKBMG-VIFPVBQESA-N 2 0 263.301 -0.767 20 0 CBADRP N=c1ccc(F)c(N)n1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218604828 824601360 /nfs/dbraw/zinc/60/13/60/824601360.db2.gz WLTUMBUOTTVHRW-SNVBAGLBSA-N 2 0 267.308 -0.344 20 0 CBADRP N=c1ccc(F)c(N)n1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218603864 824601444 /nfs/dbraw/zinc/60/14/44/824601444.db2.gz IFFPSRJZNAELMJ-ZETCQYMHSA-N 2 0 265.292 -0.862 20 0 CBADRP N=c1c(N)cnc(Cl)n1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218622565 824605463 /nfs/dbraw/zinc/60/54/63/824605463.db2.gz SCBXXKRNJVCGBI-LURJTMIESA-N 2 0 290.780 -0.742 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1csc(N2CCOCC2)n1 ZINC001218623130 824605602 /nfs/dbraw/zinc/60/56/02/824605602.db2.gz ZYQVYTHNQCMAGY-SECBINFHSA-N 2 0 299.400 -0.016 20 0 CBADRP N=c1c(N)cnc(Cl)n1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218622933 824605873 /nfs/dbraw/zinc/60/58/73/824605873.db2.gz YXSHITUEYHAXIE-YFKPBYRVSA-N 2 0 258.713 -0.695 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)Nc2cn[nH]c(=O)c2Cl)C1 ZINC001218631351 824608382 /nfs/dbraw/zinc/60/83/82/824608382.db2.gz HLDUQDJVRPXBHJ-UHNVWZDZSA-N 2 0 257.681 -0.537 20 0 CBADRP CSc1[nH]nc(NC(=O)[C@H]([NH3+])CCC[NH3+])c1C(N)=O ZINC001218639213 824611319 /nfs/dbraw/zinc/61/13/19/824611319.db2.gz ZPHYVXXOEDVJDO-RXMQYKEDSA-N 2 0 286.361 -0.765 20 0 CBADRP CCOC(=O)c1cc(NC(=O)[C@@H]([NH3+])CCC[NH3+])n(C)n1 ZINC001218637419 824611957 /nfs/dbraw/zinc/61/19/57/824611957.db2.gz WGCVYTLQOYHWKZ-QMMMGPOBSA-N 2 0 283.332 -0.399 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218641402 824613012 /nfs/dbraw/zinc/61/30/12/824613012.db2.gz RADYODGDJRUZSM-SNVBAGLBSA-N 3 0 252.322 -0.968 20 0 CBADRP O=C(Nc1cn[nH]c(=O)c1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218652219 824616110 /nfs/dbraw/zinc/61/61/10/824616110.db2.gz JOBGBNUIUDSTKC-SNVBAGLBSA-N 2 0 277.328 -0.005 20 0 CBADRP COc1ncnc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c1OC ZINC001218652507 824616221 /nfs/dbraw/zinc/61/62/21/824616221.db2.gz GKZKUGVPZQYOPJ-QMMMGPOBSA-N 2 0 283.332 -0.111 20 0 CBADRP Nc1cnc(Cl)c(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001218674137 824621262 /nfs/dbraw/zinc/62/12/62/824621262.db2.gz RTDQWDKAZZSFBQ-ZCFIWIBFSA-N 2 0 282.735 -0.540 20 0 CBADRP CCOc1cc(N)n(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c(=N)n1 ZINC001218681432 824622162 /nfs/dbraw/zinc/62/21/62/824622162.db2.gz UHDKUNAMOPUOCO-LLVKDONJSA-N 2 0 294.359 -0.689 20 0 CBADRP Cc1c(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)ncn1C ZINC001218691629 824622667 /nfs/dbraw/zinc/62/26/67/824622667.db2.gz MNZMDHQQFLOIAA-LLVKDONJSA-N 2 0 280.376 -0.583 20 0 CBADRP Nc1cccnc1N(C(=O)C[C@H](O)C[NH3+])C1CC[NH2+]CC1 ZINC001218695349 824622798 /nfs/dbraw/zinc/62/27/98/824622798.db2.gz UVENTAGQIANZHB-NSHDSACASA-N 2 0 293.371 -0.542 20 0 CBADRP COCn1cc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)cn1 ZINC001218700142 824623849 /nfs/dbraw/zinc/62/38/49/824623849.db2.gz DWIVUJFJZALBHP-LLVKDONJSA-N 2 0 267.333 -0.248 20 0 CBADRP Cc1nc2[nH]cnc2c(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)n1 ZINC001218699512 824623972 /nfs/dbraw/zinc/62/39/72/824623972.db2.gz KMPJCIVEYODISL-VIFPVBQESA-N 2 0 289.343 -0.073 20 0 CBADRP [NH3+]Cc1cncc(NC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)c1 ZINC001218703605 824625700 /nfs/dbraw/zinc/62/57/00/824625700.db2.gz GPOYSFHFKXZRCP-GWCFXTLKSA-N 2 0 261.329 -0.570 20 0 CBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)Nc1cncc(C[NH3+])c1 ZINC001218703557 824626103 /nfs/dbraw/zinc/62/61/03/824626103.db2.gz FMBCXWAHVJSSEY-SNVBAGLBSA-N 2 0 280.332 -0.745 20 0 CBADRP [NH3+]Cc1cncc(NC(=O)C[C@H]2COCC[NH2+]2)c1 ZINC001218705185 824626697 /nfs/dbraw/zinc/62/66/97/824626697.db2.gz LJCQGTOODHGXNA-NSHDSACASA-N 2 0 250.302 -0.143 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)Nc2cc([C@H]3CCC[NH2+]3)no2)C1 ZINC001218713937 824627344 /nfs/dbraw/zinc/62/73/44/824627344.db2.gz VADRNDBXVUNUTI-XKSSXDPKSA-N 2 0 265.317 -0.273 20 0 CBADRP O=C(Nc1cc([C@@H]2CCC[NH2+]2)no1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218711654 824627441 /nfs/dbraw/zinc/62/74/41/824627441.db2.gz LVMRBJYOEQMOST-UWVGGRQHSA-N 3 0 291.355 -0.153 20 0 CBADRP N[C@]1(C(=O)Nc2cc([C@@H]3CCC[NH2+]3)no2)CC[NH2+]C1 ZINC001218714298 824627694 /nfs/dbraw/zinc/62/76/94/824627694.db2.gz XIJSROYOUFYSRK-QPUJVOFHSA-N 2 0 265.317 -0.272 20 0 CBADRP O=C(Nc1cc([C@@H]2CCC[NH2+]2)no1)[C@@H]1C[NH2+]C[C@H]1O ZINC001218712201 824627950 /nfs/dbraw/zinc/62/79/50/824627950.db2.gz NSMYKBQPOJZKKR-KHQFGBGNSA-N 2 0 266.301 -0.382 20 0 CBADRP CCN(C)c1ncc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])cn1 ZINC001218741430 824630334 /nfs/dbraw/zinc/63/03/34/824630334.db2.gz VPAAKBROHIYACR-JTQLQIEISA-N 2 0 298.416 -0.110 20 0 CBADRP CCN(C)c1ncc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cn1 ZINC001218741719 824632236 /nfs/dbraw/zinc/63/22/36/824632236.db2.gz ZSIYXSNPPWZPRC-LLVKDONJSA-N 2 0 290.371 -0.320 20 0 CBADRP CNC(=O)c1cccnc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218764641 824635647 /nfs/dbraw/zinc/63/56/47/824635647.db2.gz QZPUVOZQWBPPAL-SNVBAGLBSA-N 2 0 289.339 -0.811 20 0 CBADRP O=C(Nc1cnc2nccn2c1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218785949 824637513 /nfs/dbraw/zinc/63/75/13/824637513.db2.gz UUVQXELPBAEQFA-QMTHXVAHSA-N 2 0 286.339 -0.133 20 0 CBADRP CCc1c(NC(=O)[C@@H]([NH3+])CCC[NH3+])c(C(N)=O)nn1C ZINC001218789050 824638537 /nfs/dbraw/zinc/63/85/37/824638537.db2.gz YKPLRBITHPLIHR-ZETCQYMHSA-N 2 0 282.348 -0.914 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ccc2n[nH]nc2c1 ZINC001218876002 824644343 /nfs/dbraw/zinc/64/43/43/824644343.db2.gz AYIVKEGBUFMUBZ-QMMMGPOBSA-N 2 0 280.357 -0.084 20 0 CBADRP Cn1nnc2cc(NC(=O)[C@H]([NH3+])CCC[NH3+])ccc21 ZINC001218879462 824645890 /nfs/dbraw/zinc/64/58/90/824645890.db2.gz XFPFPWUBNSYJNL-SECBINFHSA-N 2 0 262.317 -0.027 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)c1ccccc1N ZINC001218883128 824645926 /nfs/dbraw/zinc/64/59/26/824645926.db2.gz IRGBFZOXFOMBEP-ZDUSSCGKSA-N 2 0 291.399 -0.018 20 0 CBADRP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@@H]1C[NH2+]CCN1 ZINC001218937931 824648293 /nfs/dbraw/zinc/64/82/93/824648293.db2.gz LYXLTPSCAZESIT-AWEZNQCLSA-N 2 0 274.368 -0.125 20 0 CBADRP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@H]1C[NH2+]CCN1 ZINC001218937162 824648574 /nfs/dbraw/zinc/64/85/74/824648574.db2.gz LYXLTPSCAZESIT-CQSZACIVSA-N 2 0 274.368 -0.125 20 0 CBADRP N[C@]1(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC[NH2+]C1 ZINC001219027757 824652971 /nfs/dbraw/zinc/65/29/71/824652971.db2.gz AUYXGQNHUPXFLG-CQSZACIVSA-N 2 0 276.340 -0.202 20 0 CBADRP O=C(Nc1ccc(CO)cc1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219051233 824653896 /nfs/dbraw/zinc/65/38/96/824653896.db2.gz WEDXNPDZHFAOGA-LBPRGKRZSA-N 2 0 261.325 -0.074 20 0 CBADRP N=c1c2cc(N)ccc2on1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219136949 824666060 /nfs/dbraw/zinc/66/60/60/824666060.db2.gz XPYNZVKWIKDMDG-JTQLQIEISA-N 2 0 287.323 -0.255 20 0 CBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219345578 824694696 /nfs/dbraw/zinc/69/46/96/824694696.db2.gz USNIUONSLDGRFO-LLVKDONJSA-N 2 0 279.344 -0.140 20 0 CBADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)[C@@H]1C[NH2+]CCN1 ZINC001219537318 824723870 /nfs/dbraw/zinc/72/38/70/824723870.db2.gz KZCFOMATUSEBNO-CDMKHQONSA-N 2 0 288.351 -0.366 20 0 CBADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)[C@H]1[NH2+]CC[C@@H]1O ZINC001219540214 824724590 /nfs/dbraw/zinc/72/45/90/824724590.db2.gz FCHOCXPQZUKSCB-YYABJKIQSA-N 2 0 289.335 -0.204 20 0 CBADRP N[C@]1(C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@H]2O3)CC[NH2+]C1 ZINC001219538166 824725493 /nfs/dbraw/zinc/72/54/93/824725493.db2.gz VUHZBHKCKALRLA-DDHOLCJHSA-N 2 0 288.351 -0.236 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219540377 824726047 /nfs/dbraw/zinc/72/60/47/824726047.db2.gz GDABLNALCRCVPM-MPXOCVNLSA-N 2 0 288.351 -0.380 20 0 CBADRP CC(C)[C@@H](C)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219554278 824726814 /nfs/dbraw/zinc/72/68/14/824726814.db2.gz ZDVBBEIAANDKNZ-PWSUYJOCSA-N 2 0 256.394 -0.103 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001219553838 824727124 /nfs/dbraw/zinc/72/71/24/824727124.db2.gz NUIBSCYAFLSPFU-LBPRGKRZSA-N 2 0 267.377 -0.252 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCC(F)(F)F ZINC001219554254 824727906 /nfs/dbraw/zinc/72/79/06/824727906.db2.gz YNOIUACZAMFUOZ-QMMMGPOBSA-N 2 0 268.283 -0.585 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCC[NH+](C)C ZINC001219554083 824728096 /nfs/dbraw/zinc/72/80/96/824728096.db2.gz VFXUWXFOQUKTMK-JTQLQIEISA-N 2 0 258.366 -0.846 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219555774 824729061 /nfs/dbraw/zinc/72/90/61/824729061.db2.gz RPGCJFZTIXYUFH-YPMHNXCESA-N 2 0 254.378 -0.604 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001219555770 824729792 /nfs/dbraw/zinc/72/97/92/824729792.db2.gz RLPYLHDXHMZLBO-LBPRGKRZSA-N 3 0 256.394 -0.229 20 0 CBADRP O=C(NCCn1ccnn1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219566311 824732126 /nfs/dbraw/zinc/73/21/26/824732126.db2.gz ZJOQVYSSEBONCW-LLVKDONJSA-N 2 0 278.360 -0.732 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCCn1ccnn1 ZINC001219566083 824732692 /nfs/dbraw/zinc/73/26/92/824732692.db2.gz SGYPZCYBJWNRPQ-JTQLQIEISA-N 2 0 254.338 -0.759 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCCN1CCCCC1=O ZINC001219567233 824732713 /nfs/dbraw/zinc/73/27/13/824732713.db2.gz BVJYXMMQUTWDMR-SNVBAGLBSA-N 2 0 256.350 -0.819 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@@]2(C)CC[NH2+]C[C@@H]2O)C[NH2+]1 ZINC001219582859 824736105 /nfs/dbraw/zinc/73/61/05/824736105.db2.gz LXLHVJKKAMCAFR-ZPFDUUQYSA-N 2 0 255.362 -0.396 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCC(C(N)=O)CC2)C[NH2+]1 ZINC001219584687 824736562 /nfs/dbraw/zinc/73/65/62/824736562.db2.gz AFLPIQOKOYZGAP-AAEUAGOBSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)C[NH2+]1 ZINC001219585089 824736653 /nfs/dbraw/zinc/73/66/53/824736653.db2.gz USGUOHYPBGHBIH-KKJSVHSVSA-N 2 0 253.346 -0.380 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)C2(O)CC[NH+](C)CC2)C[NH2+]1 ZINC001219584997 824736659 /nfs/dbraw/zinc/73/66/59/824736659.db2.gz PJZXOOBOMGBCEK-QWRGUYRKSA-N 2 0 255.362 -0.300 20 0 CBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219586806 824736902 /nfs/dbraw/zinc/73/69/02/824736902.db2.gz FLPZSQDAIXOABD-PDEGPIFNSA-N 2 0 269.345 -0.606 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]3CCO[C@H]32)C[NH2+]1 ZINC001219586896 824737380 /nfs/dbraw/zinc/73/73/80/824737380.db2.gz ILJJKCQHAMMPIZ-OBPIAQAESA-N 2 0 267.373 -0.132 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@@H]3CCO[C@H]32)C[NH2+]1 ZINC001219586894 824737638 /nfs/dbraw/zinc/73/76/38/824737638.db2.gz ILJJKCQHAMMPIZ-JZRPKSSGSA-N 2 0 267.373 -0.132 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001219595952 824739806 /nfs/dbraw/zinc/73/98/06/824739806.db2.gz XSJZKFUZBYNIKB-VIFPVBQESA-N 2 0 265.379 -0.633 20 0 CBADRP Cc1ccnc(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001219600428 824741155 /nfs/dbraw/zinc/74/11/55/824741155.db2.gz SWSLZJAPNYHUJY-SNVBAGLBSA-N 2 0 261.329 -0.790 20 0 CBADRP Cc1cc(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)no1 ZINC001219604185 824849584 /nfs/dbraw/zinc/84/95/84/824849584.db2.gz KINUBISMMWQVIM-LBPRGKRZSA-N 2 0 281.360 -0.650 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCCS(C)(=O)=O ZINC001219608328 824852900 /nfs/dbraw/zinc/85/29/00/824852900.db2.gz VJNICKIVJGCZPI-NSHDSACASA-N 2 0 293.433 -0.357 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219608091 824852948 /nfs/dbraw/zinc/85/29/48/824852948.db2.gz OOMGWLOMNBQYDF-WPRPVWTQSA-N 2 0 291.277 -0.310 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219609907 824854019 /nfs/dbraw/zinc/85/40/19/824854019.db2.gz HUKYUOULZHTUBI-LLVKDONJSA-N 2 0 294.321 -0.261 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)N[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC001219611196 824854087 /nfs/dbraw/zinc/85/40/87/824854087.db2.gz WZXDHNKKBUNVSU-BKPPORCPSA-N 2 0 266.267 -0.914 20 0 CBADRP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1[NH2+]CC[C@@H]1O ZINC001219614435 824854336 /nfs/dbraw/zinc/85/43/36/824854336.db2.gz ZPJPMUWJUCGSTK-ZKWXMUAHSA-N 2 0 267.251 -0.880 20 0 CBADRP [NH3+][C@H](C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC001219610072 824854848 /nfs/dbraw/zinc/85/48/48/824854848.db2.gz KMDKNCANPGBZFI-ONGXEEELSA-N 3 0 294.321 -0.276 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219610088 824854963 /nfs/dbraw/zinc/85/49/63/824854963.db2.gz KVTUFURSRKEGLE-VIFPVBQESA-N 3 0 268.283 -0.665 20 0 CBADRP [NH3+][C@@H](C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC001219610070 824855278 /nfs/dbraw/zinc/85/52/78/824855278.db2.gz KMDKNCANPGBZFI-KOLCDFICSA-N 3 0 294.321 -0.276 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001219617651 824855643 /nfs/dbraw/zinc/85/56/43/824855643.db2.gz NWZVCEPPMKIZSH-BYNIDDHOSA-N 2 0 285.363 -0.589 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[C@]12CC[NH2+]C2 ZINC001219617367 824857475 /nfs/dbraw/zinc/85/74/75/824857475.db2.gz LTUYSQQZNQKUSO-XRRVDJEJSA-N 2 0 271.336 -0.835 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]([NH3+])CC(=O)OC1CCCCC1 ZINC001219867169 824904750 /nfs/dbraw/zinc/90/47/50/824904750.db2.gz DIAXTCNXGUFOCB-JTQLQIEISA-N 2 0 257.334 -0.345 20 0 CBADRP [NH3+][C@H](C(=O)NCCN1CCCCO1)C1CC[NH2+]CC1 ZINC001219632969 824866195 /nfs/dbraw/zinc/86/61/95/824866195.db2.gz VGHYPIBUZSDAFJ-LBPRGKRZSA-N 2 0 270.377 -0.543 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[NH2+]Cc3ccnn3C2)C1 ZINC001219639125 824867850 /nfs/dbraw/zinc/86/78/50/824867850.db2.gz VLJIXSNGHCDMRK-YNEHKIRRSA-N 2 0 291.399 -0.036 20 0 CBADRP Cn1cnc(CCNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001219634101 824867934 /nfs/dbraw/zinc/86/79/34/824867934.db2.gz NTUMRTZLQUBJGD-ZDUSSCGKSA-N 2 0 291.399 -0.047 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635797 824868728 /nfs/dbraw/zinc/86/87/28/824868728.db2.gz QVRZRDQYOIJSES-DCAQKATOSA-N 2 0 288.367 -0.708 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001219642277 824869698 /nfs/dbraw/zinc/86/96/98/824869698.db2.gz QYGAQWVLGDGOGV-QVHKTLOISA-N 3 0 280.416 -0.453 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219642042 824869944 /nfs/dbraw/zinc/86/99/44/824869944.db2.gz OLOBAYFGYWTMET-GDPRMGEGSA-N 2 0 257.334 -0.761 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2C[NH2+]C[C@H](O)C2)C1 ZINC001219641654 824870647 /nfs/dbraw/zinc/87/06/47/824870647.db2.gz JWKCBXDXFOLQLI-IRCOFANPSA-N 2 0 255.362 -0.681 20 0 CBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219651155 824872792 /nfs/dbraw/zinc/87/27/92/824872792.db2.gz UDLAXDTWSZULBT-LPTSXCQYSA-N 2 0 283.372 -0.501 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC001219651414 824873155 /nfs/dbraw/zinc/87/31/55/824873155.db2.gz VLHOULDEMXUUMY-IJLUTSLNSA-N 2 0 255.362 -0.273 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001219671652 824876670 /nfs/dbraw/zinc/87/66/70/824876670.db2.gz MYFKPWQFQSSOCI-MNOVXSKESA-N 2 0 291.417 -0.651 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001219671403 824876852 /nfs/dbraw/zinc/87/68/52/824876852.db2.gz GLPOUMRSGUBYON-ZJUUUORDSA-N 2 0 277.390 -0.993 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001219671573 824876859 /nfs/dbraw/zinc/87/68/59/824876859.db2.gz KFOCOPNYYRULNB-VHSXEESVSA-N 2 0 277.390 -0.864 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC[C@H]1C[NH2+][C@H](C)C1 ZINC001219684219 824877607 /nfs/dbraw/zinc/87/76/07/824877607.db2.gz LFZAIVITTRSJAY-XQHKEYJVSA-N 2 0 298.431 -0.021 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@H]1C[NH2+][C@H](C)C1 ZINC001219683829 824877880 /nfs/dbraw/zinc/87/78/80/824877880.db2.gz FQURJLGXIIVQPV-UTUOFQBUSA-N 3 0 256.394 -0.182 20 0 CBADRP C[C@@H]1C[C@@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C[NH2+]1 ZINC001219685244 824878018 /nfs/dbraw/zinc/87/80/18/824878018.db2.gz XWLDWYWGWJINRO-DCQANWLSSA-N 2 0 252.362 -0.948 20 0 CBADRP C[C@@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C[NH2+]1 ZINC001219685272 824878230 /nfs/dbraw/zinc/87/82/30/824878230.db2.gz YIRHTEXYVLKXQF-LDMBFOFVSA-N 2 0 252.362 -0.950 20 0 CBADRP CN(C(=O)CCNC(=O)[C@@H]([NH3+])CSCC[NH3+])C1CC1 ZINC001219692739 824879731 /nfs/dbraw/zinc/87/97/31/824879731.db2.gz HASJNXACHUCCLT-JTQLQIEISA-N 2 0 288.417 -0.867 20 0 CBADRP [NH3+][C@H](C(=O)NCCC1(O)C[NH2+]C1)C1Cc2ccccc2C1 ZINC001219696177 824881667 /nfs/dbraw/zinc/88/16/67/824881667.db2.gz BEYXCDBBCBGOMC-AWEZNQCLSA-N 2 0 289.379 -0.431 20 0 CBADRP O=C(NCCC1(O)C[NH2+]C1)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001219696258 824881756 /nfs/dbraw/zinc/88/17/56/824881756.db2.gz FASYOENUXDKVFN-SWLSCSKDSA-N 2 0 297.399 -0.624 20 0 CBADRP Cn1cccc1CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001219699162 824882891 /nfs/dbraw/zinc/88/28/91/824882891.db2.gz UUNLZASUOBDFGF-LBPRGKRZSA-N 2 0 250.346 -0.032 20 0 CBADRP COc1cccc(C[C@H]([NH3+])C(=O)N[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC001219713981 824884466 /nfs/dbraw/zinc/88/44/66/824884466.db2.gz BYUPWCANKCLEEY-YNEHKIRRSA-N 2 0 279.340 -0.986 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001219714578 824884516 /nfs/dbraw/zinc/88/45/16/824884516.db2.gz PGQCRDPRIIOQMB-YNEHKIRRSA-N 2 0 261.325 -0.850 20 0 CBADRP [NH3+]C12CCC(C(=O)N[C@@H]3C[NH2+]C[C@H]3O)(CC1)CC2 ZINC001219714542 824884582 /nfs/dbraw/zinc/88/45/82/824884582.db2.gz OHUAZXLSFDJLGI-ITSCGTHASA-N 2 0 253.346 -0.513 20 0 CBADRP [NH3+][C@H](Cc1ccccc1F)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219711867 824884914 /nfs/dbraw/zinc/88/49/14/824884914.db2.gz ILPRXHVRGZMULU-IJLUTSLNSA-N 2 0 267.304 -0.856 20 0 CBADRP [NH3+][C@H](CC(=O)N[C@@H]1C[NH2+]C[C@H]1O)Cc1ccc(F)c(F)c1 ZINC001219711201 824885546 /nfs/dbraw/zinc/88/55/46/824885546.db2.gz BOFAVUWHPVVXPL-ZWKOPEQDSA-N 2 0 299.321 -0.326 20 0 CBADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@H]1CC[C@@H](C(F)(F)F)C[NH2+]1 ZINC001219720391 824886510 /nfs/dbraw/zinc/88/65/10/824886510.db2.gz LFPZJVCSYPHAAP-BZNPZCIMSA-N 2 0 281.278 -0.241 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CC)C[C@@H]1O ZINC001219724393 824886821 /nfs/dbraw/zinc/88/68/21/824886821.db2.gz JPKAQWXXYAMAFE-TUAOUCFPSA-N 2 0 275.368 -0.153 20 0 CBADRP N[C@@H](C[NH3+])c1ccc(C(=O)N[C@@H]2COC[C@@H]2[NH3+])cc1 ZINC001219720873 824886950 /nfs/dbraw/zinc/88/69/50/824886950.db2.gz UHAZFMIUGGSYIT-SDDRHHMPSA-N 2 0 264.329 -0.899 20 0 CBADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219719932 824887362 /nfs/dbraw/zinc/88/73/62/824887362.db2.gz AQBBNLDQLKZINA-KXUCPTDWSA-N 2 0 287.360 -0.722 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219739037 824887571 /nfs/dbraw/zinc/88/75/71/824887571.db2.gz FWVFYPVPKKPCAW-NWDGAFQWSA-N 3 0 284.404 -0.673 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741496 824888515 /nfs/dbraw/zinc/88/85/15/824888515.db2.gz MBBJOENPRBWKPQ-RYUDHWBXSA-N 3 0 284.404 -0.530 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219736663 824888623 /nfs/dbraw/zinc/88/86/23/824888623.db2.gz DXMIDTACXPIKJB-NEPJUHHUSA-N 3 0 284.404 -0.802 20 0 CBADRP Nc1nc(=O)c(F)cn1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219741271 824888744 /nfs/dbraw/zinc/88/87/44/824888744.db2.gz FUPHLRMPNLQKMI-SECBINFHSA-N 2 0 295.318 -0.278 20 0 CBADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCCC[NH2+]1 ZINC001219737427 824888752 /nfs/dbraw/zinc/88/87/52/824888752.db2.gz VVKBCPUIJYCWIL-MNOVXSKESA-N 2 0 253.346 -0.377 20 0 CBADRP C[C@H]1CC[NH2+][C@H](C(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)C1 ZINC001219764347 824889644 /nfs/dbraw/zinc/88/96/44/824889644.db2.gz DLVQPLQWJUVGEQ-CRWXNKLISA-N 2 0 280.416 -0.216 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743302 824889660 /nfs/dbraw/zinc/88/96/60/824889660.db2.gz BMRQLNGFUOBDTC-QWRGUYRKSA-N 2 0 270.377 -0.920 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743644 824890639 /nfs/dbraw/zinc/89/06/39/824890639.db2.gz IPZYQVFQRDJOAW-WDEREUQCSA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]C1)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749532 824890660 /nfs/dbraw/zinc/89/06/60/824890660.db2.gz OOJNEPQIRKMYMY-NSHDSACASA-N 2 0 292.387 -0.223 20 0 CBADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1CC[NH2+]C[C@H]1F ZINC001219765933 824891250 /nfs/dbraw/zinc/89/12/50/824891250.db2.gz ILZGFAXKFADVKE-YVECIDJPSA-N 2 0 284.379 -0.656 20 0 CBADRP N[C@]1(C(=O)NC[C@@]2(F)CCC[NH2+]C2)CCC[NH2+]C1 ZINC001219768956 824891734 /nfs/dbraw/zinc/89/17/34/824891734.db2.gz RJTQZEBCUWNWQT-VXGBXAGGSA-N 2 0 258.341 -0.725 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219767717 824891877 /nfs/dbraw/zinc/89/18/77/824891877.db2.gz CRNLDFCRTKPFNG-JQWIXIFHSA-N 2 0 269.324 -0.513 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219772896 824891944 /nfs/dbraw/zinc/89/19/44/824891944.db2.gz FFAYDQDJNSXAAJ-NSHDSACASA-N 2 0 283.372 -0.085 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219768604 824892006 /nfs/dbraw/zinc/89/20/06/824892006.db2.gz NVCMKERWOKOKTM-AAEUAGOBSA-N 3 0 274.384 -0.089 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219769149 824892375 /nfs/dbraw/zinc/89/23/75/824892375.db2.gz SZSPKNZKMJVJAJ-DNTLEWNLSA-N 2 0 279.381 -0.710 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219768175 824892410 /nfs/dbraw/zinc/89/24/10/824892410.db2.gz KPORRPJDKSWOCK-ONGXEEELSA-N 2 0 261.297 -0.915 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777343 824893365 /nfs/dbraw/zinc/89/33/65/824893365.db2.gz HFFGAHBKSCNSDM-UHFFFAOYSA-N 3 0 254.378 -0.427 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219773479 824893649 /nfs/dbraw/zinc/89/36/49/824893649.db2.gz UKUVCAOHKSJVAG-ABAIWWIYSA-N 2 0 278.400 -0.414 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800943 824894876 /nfs/dbraw/zinc/89/48/76/824894876.db2.gz PETAMBFYYXKQDZ-RYUDHWBXSA-N 3 0 284.404 -0.673 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O)C1CC1 ZINC001219804175 824895382 /nfs/dbraw/zinc/89/53/82/824895382.db2.gz OODROBASSLDQDX-FRRDWIJNSA-N 2 0 287.379 -0.153 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800258 824895872 /nfs/dbraw/zinc/89/58/72/824895872.db2.gz ILVJPGKDENCFIO-LLVKDONJSA-N 2 0 297.403 -0.475 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800422 824896021 /nfs/dbraw/zinc/89/60/21/824896021.db2.gz JRIHUGLTXPMTIL-NEPJUHHUSA-N 2 0 283.372 -0.750 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800259 824896549 /nfs/dbraw/zinc/89/65/49/824896549.db2.gz ILVJPGKDENCFIO-NSHDSACASA-N 2 0 297.403 -0.475 20 0 CBADRP C[C@]1(C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)CCC[NH2+]1 ZINC001219813169 824897058 /nfs/dbraw/zinc/89/70/58/824897058.db2.gz PKYALHLYOKRGOE-UHTWSYAYSA-N 2 0 253.346 -0.519 20 0 CBADRP O=C(CC1CC[NH2+]CC1)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219812923 824897880 /nfs/dbraw/zinc/89/78/80/824897880.db2.gz LJRIIZPCDWRYKV-JSGCOSHPSA-N 2 0 267.373 -0.272 20 0 CBADRP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219814119 824898092 /nfs/dbraw/zinc/89/80/92/824898092.db2.gz TVGLWPGXNZUSBV-YUTCNCBUSA-N 2 0 299.415 -0.333 20 0 CBADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@@H]1CC[NH2+]C[C@H]1F ZINC001219811700 824898154 /nfs/dbraw/zinc/89/81/54/824898154.db2.gz ZDQHJDHBXNAGTC-PSASIEDQSA-N 2 0 282.319 -0.116 20 0 CBADRP O=C(N[C@H]1C[NH2+]Cc2ccsc21)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219823091 824898974 /nfs/dbraw/zinc/89/89/74/824898974.db2.gz KJSGHTSKRIMRHB-MNOVXSKESA-N 3 0 292.408 -0.182 20 0 CBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1CCCC[NH2+]1 ZINC001219833595 824900356 /nfs/dbraw/zinc/90/03/56/824900356.db2.gz FJFJTPMFDKIREH-VNHYZAJKSA-N 2 0 297.399 -0.360 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CC[NH2+]C1 ZINC001219836661 824901012 /nfs/dbraw/zinc/90/10/12/824901012.db2.gz BOWUGRONMPLRQA-QEJZJMRPSA-N 2 0 297.399 -0.503 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847722 824901262 /nfs/dbraw/zinc/90/12/62/824901262.db2.gz QCSXEFCWMWPZAT-ZDEQEGDKSA-N 3 0 284.404 -0.661 20 0 CBADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001219847704 824901322 /nfs/dbraw/zinc/90/13/22/824901322.db2.gz PNBHDHKROLZOOK-SNIKSBKOSA-N 2 0 295.383 -0.611 20 0 CBADRP COCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219845548 824901774 /nfs/dbraw/zinc/90/17/74/824901774.db2.gz MNKHOPYQMGRXTO-AGIUHOORSA-N 2 0 287.404 -0.620 20 0 CBADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854735 824902502 /nfs/dbraw/zinc/90/25/02/824902502.db2.gz RZOQQIHJFVNKRU-CSYMLDBXSA-N 2 0 253.346 -0.523 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852105 824902913 /nfs/dbraw/zinc/90/29/13/824902913.db2.gz MBZBIFSZJCOBDM-ZDEQEGDKSA-N 3 0 284.404 -0.817 20 0 CBADRP CC[C@]1(C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CCC[NH2+]C1 ZINC001219854125 824903260 /nfs/dbraw/zinc/90/32/60/824903260.db2.gz DJQJBEMZIOCSJQ-CZXHOFHRSA-N 2 0 267.373 -0.131 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219849759 824903265 /nfs/dbraw/zinc/90/32/65/824903265.db2.gz IEQRAJYWEFACPJ-XDQVBPFNSA-N 3 0 298.431 -0.556 20 0 CBADRP CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)NCC[NH3+] ZINC001219867199 824904896 /nfs/dbraw/zinc/90/48/96/824904896.db2.gz FNYFCGUMITUAQJ-GFCCVEGCSA-N 2 0 264.373 -0.043 20 0 CBADRP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001219870027 824905638 /nfs/dbraw/zinc/90/56/38/824905638.db2.gz XSKBEGJXTMTXFV-UPJWGTAASA-N 2 0 287.404 -0.476 20 0 CBADRP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)NCC[NH3+] ZINC001219868590 824906192 /nfs/dbraw/zinc/90/61/92/824906192.db2.gz GVIPZLGIIKGUBP-VIFPVBQESA-N 2 0 259.350 -0.099 20 0 CBADRP C[NH2+][C@@H](COCc1ccccc1)C(=O)NCC[NH3+] ZINC001219868792 824906645 /nfs/dbraw/zinc/90/66/45/824906645.db2.gz ROYKIKFVGXBPPK-LBPRGKRZSA-N 2 0 251.330 -0.134 20 0 CBADRP CC(C)OC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001219880450 824908437 /nfs/dbraw/zinc/90/84/37/824908437.db2.gz BCNKFYAAXKZWSA-ONGXEEELSA-N 2 0 271.361 -0.230 20 0 CBADRP CCOC(=O)CC(=N)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219882958 824909673 /nfs/dbraw/zinc/90/96/73/824909673.db2.gz QHDGVJLAMMWODP-NOZJJQNGSA-N 2 0 282.344 -0.768 20 0 CBADRP COC(=O)[C@H](NC(=O)[C@H]([NH3+])CCC[NH3+])c1ccc(O)cc1 ZINC001219885791 824909846 /nfs/dbraw/zinc/90/98/46/824909846.db2.gz WQQOIEDYIAQKBY-VXGBXAGGSA-N 2 0 295.339 -0.211 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](C)O)C[C@@H]1O ZINC001219902900 824912239 /nfs/dbraw/zinc/91/22/39/824912239.db2.gz NUJBYSULFMIIQQ-UTUOFQBUSA-N 2 0 287.404 -0.741 20 0 CBADRP C[NH+](C)CCCCCNC(=O)CN1CC[NH2+]CC1 ZINC001219921786 824915093 /nfs/dbraw/zinc/91/50/93/824915093.db2.gz YCRVJNVJMJQLNR-UHFFFAOYSA-N 2 0 256.394 -0.260 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@@H]1CC[C@@H](C(F)(F)F)C[NH2+]1 ZINC001219918184 824915389 /nfs/dbraw/zinc/91/53/89/824915389.db2.gz HIDFCJHAGPSOQV-BDAKNGLRSA-N 2 0 283.294 -0.385 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001219918718 824915449 /nfs/dbraw/zinc/91/54/49/824915449.db2.gz PYKUGCIGNJOTGZ-TZMCWYRMSA-N 2 0 285.388 -0.767 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@H]1CC[C@@H](C(F)(F)F)C[NH2+]1 ZINC001219918187 824915544 /nfs/dbraw/zinc/91/55/44/824915544.db2.gz HIDFCJHAGPSOQV-RKDXNWHRSA-N 2 0 283.294 -0.385 20 0 CBADRP [NH3+]CCNCC(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219931238 824916052 /nfs/dbraw/zinc/91/60/52/824916052.db2.gz MTSXXLHSPKUOHM-UHFFFAOYSA-N 2 0 291.399 -0.287 20 0 CBADRP Nc1ccccc1CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219927521 824916372 /nfs/dbraw/zinc/91/63/72/824916372.db2.gz PKDCKQPJFVDKDV-AWEZNQCLSA-N 2 0 291.399 -0.365 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCNC(N)=O)CC1 ZINC001219954067 824919990 /nfs/dbraw/zinc/91/99/90/824919990.db2.gz CEBFPKUGQPWBKD-GFCCVEGCSA-N 2 0 299.419 -0.247 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H]1C=CS(=O)(=O)C1 ZINC001219945814 824920193 /nfs/dbraw/zinc/92/01/93/824920193.db2.gz UHXIICBROXTTSR-UWVGGRQHSA-N 2 0 275.374 -0.870 20 0 CBADRP O=C(N[C@H]1C=CS(=O)(=O)C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219945252 824920877 /nfs/dbraw/zinc/92/08/77/824920877.db2.gz FQHRFXBLEMRYTN-WDEREUQCSA-N 2 0 299.396 -0.713 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@@H]1CCC(=O)N1 ZINC001219959106 824922770 /nfs/dbraw/zinc/92/27/70/824922770.db2.gz ISFDAMYXDOOMRY-UWVGGRQHSA-N 2 0 256.350 -0.902 20 0 CBADRP NC(=O)c1ccc(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cc1 ZINC001219961765 824924295 /nfs/dbraw/zinc/92/42/95/824924295.db2.gz VSVWLEDANBZCDX-LBPRGKRZSA-N 2 0 288.351 -0.789 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCCCc1c[nH][nH]c1=O ZINC001219970153 824926408 /nfs/dbraw/zinc/92/64/08/824926408.db2.gz VZBQKMBQKXDNEB-RYUDHWBXSA-N 2 0 297.403 -0.326 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCC(=O)NC1CCCC1 ZINC001219976838 824927027 /nfs/dbraw/zinc/92/70/27/824927027.db2.gz OKYOLCBUINJBRF-JTQLQIEISA-N 2 0 288.417 -0.819 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCC(=O)NC1CCCC1 ZINC001219977116 824927949 /nfs/dbraw/zinc/92/79/49/824927949.db2.gz RJBBIYHYEQIFPM-NSHDSACASA-N 2 0 270.377 -0.382 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@]2(N)CC[NH2+]C2)C1 ZINC001219980520 824929261 /nfs/dbraw/zinc/92/92/61/824929261.db2.gz JYCPCJISJNKTKN-WCQYABFASA-N 2 0 254.378 -0.475 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001219978967 824929774 /nfs/dbraw/zinc/92/97/74/824929774.db2.gz WWSYWMRMYBHSCV-UMVBOHGHSA-N 2 0 280.416 -0.214 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2C[C@@H]([NH3+])CN2)C1 ZINC001219980891 824929969 /nfs/dbraw/zinc/92/99/69/824929969.db2.gz QLQDLDPJCLQDIQ-TUAOUCFPSA-N 2 0 254.378 -0.476 20 0 CBADRP [NH3+][C@@H](C(=O)NC[C@H]1CCCCO1)C1CC[NH2+]CC1 ZINC001219979117 824930025 /nfs/dbraw/zinc/93/00/25/824930025.db2.gz ZWBROQBYRYOJPA-VXGBXAGGSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@@H]1CCCCO1)C1CC[NH2+]CC1 ZINC001219979116 824930058 /nfs/dbraw/zinc/93/00/58/824930058.db2.gz ZWBROQBYRYOJPA-RYUDHWBXSA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1ccncn1 ZINC001220004926 824931111 /nfs/dbraw/zinc/93/11/11/824931111.db2.gz JMUXQTIKNKDMJZ-NSHDSACASA-N 2 0 251.334 -0.190 20 0 CBADRP COC(=O)C1(NC(=O)[C@@H]2CC[NH2+]C[C@@H]2F)CC[NH2+]CC1 ZINC001220001810 824931386 /nfs/dbraw/zinc/93/13/86/824931386.db2.gz XNVCYSKIPBTAEK-ZJUUUORDSA-N 2 0 287.335 -0.655 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC1(CO)CCOCC1 ZINC001220018468 824934031 /nfs/dbraw/zinc/93/40/31/824934031.db2.gz FDAXOJZKBOVAHJ-NSHDSACASA-N 2 0 273.377 -0.639 20 0 CBADRP N=c1cc(C[NH3+])ncn1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220020196 824935826 /nfs/dbraw/zinc/93/58/26/824935826.db2.gz AJRHGIGEQBXDNY-NSHDSACASA-N 3 0 290.371 -0.664 20 0 CBADRP O=C(NC[C@@H]1CCOC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220020286 824935928 /nfs/dbraw/zinc/93/59/28/824935928.db2.gz CYYFRERTGOVHJT-DMDPSCGWSA-N 2 0 253.346 -0.662 20 0 CBADRP N=c1cc(C[NH3+])ncn1C(=O)c1cccc(C[NH3+])c1 ZINC001220020506 824936223 /nfs/dbraw/zinc/93/62/23/824936223.db2.gz LIIAPJLJOHYYRH-UHFFFAOYSA-N 2 0 257.297 -0.032 20 0 CBADRP N=c1sc2c(n1C(=O)[C@@H]1C[NH2+]CCN1)CC[C@H]([NH3+])C2 ZINC001220025239 824937326 /nfs/dbraw/zinc/93/73/26/824937326.db2.gz LLKRRZPOORUPEO-YUMQZZPRSA-N 2 0 281.385 -0.953 20 0 CBADRP CC(C)(CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])C(N)=O ZINC001220033013 824939331 /nfs/dbraw/zinc/93/93/31/824939331.db2.gz HPYNVESUEQPGMC-VIFPVBQESA-N 2 0 258.366 -0.540 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1ccncc1F ZINC001220037483 824940533 /nfs/dbraw/zinc/94/05/33/824940533.db2.gz AYWWBGUSHDHXHZ-CYBMUJFWSA-N 2 0 295.362 -0.413 20 0 CBADRP N=c1cc(C[NH3+])ccn1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220044960 824941711 /nfs/dbraw/zinc/94/17/11/824941711.db2.gz GCZRWZYRYJJIOL-VIFPVBQESA-N 3 0 269.374 -0.914 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001220043506 824942019 /nfs/dbraw/zinc/94/20/19/824942019.db2.gz UZKPUFNYMNRVAR-JTQLQIEISA-N 2 0 281.360 -0.088 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)n1ccc(C[NH3+])cc1=N ZINC001220045134 824942116 /nfs/dbraw/zinc/94/21/16/824942116.db2.gz MYWLLKCTQGBOOD-NSHDSACASA-N 2 0 274.328 -0.630 20 0 CBADRP CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001220141407 824967236 /nfs/dbraw/zinc/96/72/36/824967236.db2.gz LYDLEMIGJBHUOZ-GUBZILKMSA-N 2 0 277.390 -0.866 20 0 CBADRP N=c1cc(C[NH3+])ccn1C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001220045057 824942617 /nfs/dbraw/zinc/94/26/17/824942617.db2.gz KDJMUOGBCWEPGE-BREBYQMCSA-N 2 0 261.329 -0.712 20 0 CBADRP COC(=O)C1(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCCC1 ZINC001220048772 824944215 /nfs/dbraw/zinc/94/42/15/824944215.db2.gz WCPHCXYLCRKFEF-JTQLQIEISA-N 2 0 281.356 -0.603 20 0 CBADRP C[NH2+]CCNC(=O)C[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001220051317 824945289 /nfs/dbraw/zinc/94/52/89/824945289.db2.gz UVSRSHMWAJSWAD-LLVKDONJSA-N 2 0 250.346 -0.067 20 0 CBADRP C[NH2+]CCNC(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001220053199 824945358 /nfs/dbraw/zinc/94/53/58/824945358.db2.gz YTQKCFVLXGYQNX-WCQYABFASA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH2+]CCNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ncccc12 ZINC001220054765 824945533 /nfs/dbraw/zinc/94/55/33/824945533.db2.gz RJHRAZVICNMAGW-NSHDSACASA-N 2 0 261.329 -0.232 20 0 CBADRP C[NH2+]CCNC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001220054615 824945880 /nfs/dbraw/zinc/94/58/80/824945880.db2.gz KKEBZZOGQIKLGU-QMMMGPOBSA-N 2 0 298.309 -0.502 20 0 CBADRP C[NH2+]CCNC(=O)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001220051110 824945944 /nfs/dbraw/zinc/94/59/44/824945944.db2.gz JKPNPIQOMLSSMW-NSHDSACASA-N 2 0 277.372 -0.530 20 0 CBADRP [NH3+][C@@H](C(=O)NCCc1cc[nH]n1)C1CC[NH2+]CC1 ZINC001220062249 824946424 /nfs/dbraw/zinc/94/64/24/824946424.db2.gz RTZMZEZBVXTPJW-LLVKDONJSA-N 2 0 251.334 -0.605 20 0 CBADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001220062228 824946545 /nfs/dbraw/zinc/94/65/45/824946545.db2.gz QUNQKTRADRBZBK-JHJVBQTASA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH2+]CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001220054884 824946635 /nfs/dbraw/zinc/94/66/35/824946635.db2.gz XBDYCFDQIFHJQF-QWRGUYRKSA-N 2 0 268.361 -0.935 20 0 CBADRP C[NH2+]CCNC(=O)c1csc(N2CC[NH2+]CC2)n1 ZINC001220057370 824946680 /nfs/dbraw/zinc/94/66/80/824946680.db2.gz JJYMMGIHZFTTON-UHFFFAOYSA-N 2 0 269.374 -0.498 20 0 CBADRP [NH3+][C@H](C(=O)NCCc1cc[nH]n1)C1CC[NH2+]CC1 ZINC001220062250 824946720 /nfs/dbraw/zinc/94/67/20/824946720.db2.gz RTZMZEZBVXTPJW-NSHDSACASA-N 2 0 251.334 -0.605 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H](N)Cc1cccc(O)c1 ZINC001220103300 824954647 /nfs/dbraw/zinc/95/46/47/824954647.db2.gz NNENAVSSIWKXCO-GFCCVEGCSA-N 2 0 293.371 -0.277 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])CC(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220102958 824955192 /nfs/dbraw/zinc/95/51/92/824955192.db2.gz AHEBTELNURSYRF-SNVBAGLBSA-N 3 0 287.408 -0.020 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220101640 824955431 /nfs/dbraw/zinc/95/54/31/824955431.db2.gz WHRXTSFPRFGOCA-UWVGGRQHSA-N 3 0 255.366 -0.165 20 0 CBADRP NC(=[NH2+])N(C(=O)[C@@H]1C[C@@H]([NH3+])CN1)c1ccccc1F ZINC001220106679 824956408 /nfs/dbraw/zinc/95/64/08/824956408.db2.gz XQNDPVGEFHBPLN-APPZFPTMSA-N 2 0 265.292 -0.259 20 0 CBADRP NC(=[NH2+])N(C(=O)CNCC[NH3+])c1ccccc1F ZINC001220106176 824956517 /nfs/dbraw/zinc/95/65/17/824956517.db2.gz DLKIVRZZTYONBD-UHFFFAOYSA-N 2 0 253.281 -0.400 20 0 CBADRP N=C(NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)SCC[NH3+] ZINC001220106250 824957094 /nfs/dbraw/zinc/95/70/94/824957094.db2.gz GLGNVSPOINMZNF-QMMMGPOBSA-N 3 0 259.379 -0.944 20 0 CBADRP NC(=[NH2+])N(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1F ZINC001220106402 824957434 /nfs/dbraw/zinc/95/74/34/824957434.db2.gz LZTGNEWDXRKWRD-XCBNKYQSSA-N 2 0 266.276 -0.368 20 0 CBADRP [NH3+][C@@H](C(=O)NC[C@H](O)c1ccc(O)cc1)C1CC[NH2+]CC1 ZINC001220113333 824958061 /nfs/dbraw/zinc/95/80/61/824958061.db2.gz QLTAXJGWXGAYLT-UONOGXRCSA-N 2 0 293.367 -0.131 20 0 CBADRP O=C(NC[C@@H](O)c1ccc(O)cc1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220112909 824958850 /nfs/dbraw/zinc/95/88/50/824958850.db2.gz DPBOWQOUBQIJNO-CHWSQXEVSA-N 2 0 291.351 -0.649 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@H](O)c1ccc(O)cc1 ZINC001220113244 824958963 /nfs/dbraw/zinc/95/89/63/824958963.db2.gz OJEBWZWSQCUFAA-STQMWFEESA-N 2 0 281.356 -0.002 20 0 CBADRP O=C(NC[C@H](O)c1ccc(O)cc1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220112912 824959283 /nfs/dbraw/zinc/95/92/83/824959283.db2.gz DPBOWQOUBQIJNO-STQMWFEESA-N 2 0 291.351 -0.649 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CCCC[NH3+])[C@@H](C)OC1 ZINC001220138807 824965835 /nfs/dbraw/zinc/96/58/35/824965835.db2.gz HGZGHXCNCBNRTL-KOLCDFICSA-N 2 0 299.371 -0.205 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001220150350 824969630 /nfs/dbraw/zinc/96/96/30/824969630.db2.gz ZYEGXZKKGSYYJC-GRYCIOLGSA-N 3 0 266.389 -0.286 20 0 CBADRP O=C(NCc1cn[nH]c1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220148268 824969695 /nfs/dbraw/zinc/96/96/95/824969695.db2.gz SWXNBCSBJCJWLH-NSHDSACASA-N 2 0 263.345 -0.100 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220149982 824969853 /nfs/dbraw/zinc/96/98/53/824969853.db2.gz MAHYNMGZRRZDAH-GUDRVLHUSA-N 2 0 270.377 -0.671 20 0 CBADRP N=C(NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1nccs1 ZINC001220154808 824970784 /nfs/dbraw/zinc/97/07/84/824970784.db2.gz ZFMAKQYKHCGHBA-ZETCQYMHSA-N 2 0 265.342 -0.606 20 0 CBADRP [NH3+]CC1(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)C[NH2+]2)COC1 ZINC001220153971 824970883 /nfs/dbraw/zinc/97/08/83/824970883.db2.gz GGXPICPZQAXPBN-HTQZYQBOSA-N 2 0 281.278 -0.239 20 0 CBADRP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)NC2(C[NH3+])COC2)C1 ZINC001220154420 824971175 /nfs/dbraw/zinc/97/11/75/824971175.db2.gz SZNYZKQWMDFKAD-ZJUUUORDSA-N 2 0 271.361 -0.624 20 0 CBADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)NC1(C[NH3+])COC1 ZINC001220154095 824971573 /nfs/dbraw/zinc/97/15/73/824971573.db2.gz KSDOSBFHAJVBRB-VIFPVBQESA-N 2 0 287.360 -0.850 20 0 CBADRP C[C@]([NH3+])(Cc1ccc(F)cc1)C(=O)NC1(C[NH3+])COC1 ZINC001220154614 824971664 /nfs/dbraw/zinc/97/16/64/824971664.db2.gz VMVKITUSYYCMCR-ZDUSSCGKSA-N 2 0 281.331 -0.071 20 0 CBADRP O=C(N[C@H]1C[C@H](O)C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220157152 824972361 /nfs/dbraw/zinc/97/23/61/824972361.db2.gz YPBJWTRIDDIFIY-GMTAPVOTSA-N 2 0 253.346 -0.500 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC001220156647 824973123 /nfs/dbraw/zinc/97/31/23/824973123.db2.gz FGTOPKSAHXRHKG-JQWIXIFHSA-N 2 0 265.361 -0.500 20 0 CBADRP [NH3+]CCNCC(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220161629 824974197 /nfs/dbraw/zinc/97/41/97/824974197.db2.gz DOIOXIFQHCAQOI-AAEUAGOBSA-N 2 0 254.378 -0.427 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220163033 824974622 /nfs/dbraw/zinc/97/46/22/824974622.db2.gz OEUKAQCJROGMAW-GVXVVHGQSA-N 2 0 254.378 -0.299 20 0 CBADRP N[C@]1(C(=O)N[C@H]2CCC[C@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC001220162548 824974964 /nfs/dbraw/zinc/97/49/64/824974964.db2.gz KCTLXQHGLFDEGK-FPMFFAJLSA-N 2 0 266.389 -0.284 20 0 CBADRP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1C[NH2+]C[C@H]1O ZINC001220164156 824976012 /nfs/dbraw/zinc/97/60/12/824976012.db2.gz ZDDZGEFOCJFNDK-BYNQJWBRSA-N 2 0 267.373 -0.395 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC1(CCO)COC1 ZINC001220173154 824977315 /nfs/dbraw/zinc/97/73/15/824977315.db2.gz JWIQCVQXRYOLFB-LBPRGKRZSA-N 2 0 287.404 -0.250 20 0 CBADRP O=C(NC1(CCO)COC1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220174156 824977536 /nfs/dbraw/zinc/97/75/36/824977536.db2.gz WENWISMUXMLUIJ-LLVKDONJSA-N 2 0 283.372 -0.872 20 0 CBADRP CC1(C)C[C@@H](CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)O1 ZINC001220200585 824986639 /nfs/dbraw/zinc/98/66/39/824986639.db2.gz OIGKTEAEQDJKPZ-VHSXEESVSA-N 2 0 253.346 -0.521 20 0 CBADRP CCOC(=O)CC1(NC(=O)[C@@H]([NH3+])CCCC[NH3+])COC1 ZINC001220215038 824987561 /nfs/dbraw/zinc/98/75/61/824987561.db2.gz KCQHOMTWXCQDGH-JTQLQIEISA-N 2 0 287.360 -0.719 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@]1(N)CC[NH2+]C1 ZINC001220220711 824988822 /nfs/dbraw/zinc/98/88/22/824988822.db2.gz BUHSRVDAYUNTQN-GMXVVIOVSA-N 2 0 254.378 -0.334 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220220928 824989082 /nfs/dbraw/zinc/98/90/82/824989082.db2.gz KULMWXCODMBZQN-YHQUGGNUSA-N 2 0 280.416 -0.075 20 0 CBADRP CC1(C)C[C@@H](NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCO1 ZINC001220221091 824989541 /nfs/dbraw/zinc/98/95/41/824989541.db2.gz PYVWKKJDRGNQFJ-STQMWFEESA-N 2 0 298.431 -0.189 20 0 CBADRP COC1CCC(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001220222861 824989965 /nfs/dbraw/zinc/98/99/65/824989965.db2.gz IHMMOIICFJNWIW-RUXDESIVSA-N 2 0 298.431 -0.189 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001220232442 824990642 /nfs/dbraw/zinc/99/06/42/824990642.db2.gz WLXQEZFOCVNOEB-OLZOCXBDSA-N 2 0 269.389 -0.101 20 0 CBADRP COCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234166 824991304 /nfs/dbraw/zinc/99/13/04/824991304.db2.gz XJLQTWWPUWKANM-NEPJUHHUSA-N 2 0 273.377 -0.864 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2O)CC1 ZINC001220229314 824991499 /nfs/dbraw/zinc/99/14/99/824991499.db2.gz XPEUUPKYJMRIQC-NEPJUHHUSA-N 2 0 287.379 -0.151 20 0 CBADRP CC(C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220233981 824991575 /nfs/dbraw/zinc/99/15/75/824991575.db2.gz OLUUULXSUKEBPF-NEPJUHHUSA-N 2 0 257.378 -0.102 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@H]1CC(=O)N(C)C1 ZINC001220245102 824992520 /nfs/dbraw/zinc/99/25/20/824992520.db2.gz GADDDEOZIYJSQM-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP CN1C[C@H](CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1=O ZINC001220244944 824992409 /nfs/dbraw/zinc/99/24/09/824992409.db2.gz AISIGJDPXWPGIJ-QWRGUYRKSA-N 2 0 270.377 -0.573 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220251699 824993728 /nfs/dbraw/zinc/99/37/28/824993728.db2.gz CAQFHDLCHPEVHC-QNWHQSFQSA-N 2 0 266.389 -0.463 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001220252386 824996034 /nfs/dbraw/zinc/99/60/34/824996034.db2.gz YXJVSHBLVXBNLU-DDBGAENHSA-N 2 0 275.418 -0.317 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC001220261201 824997464 /nfs/dbraw/zinc/99/74/64/824997464.db2.gz UMAAXULIWVFDME-UWVGGRQHSA-N 2 0 251.334 -0.551 20 0 CBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N(CC[NH3+])c1cccnc1 ZINC001220261220 824997914 /nfs/dbraw/zinc/99/79/14/824997914.db2.gz UYNDCXFRXBBSIY-LLVKDONJSA-N 2 0 294.359 -0.851 20 0 CBADRP [NH3+]CCN(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)c1cccnc1 ZINC001220260648 824998658 /nfs/dbraw/zinc/99/86/58/824998658.db2.gz BXKBXKVOHDBHOK-WCFLWFBJSA-N 2 0 275.356 -0.677 20 0 CBADRP O=C(N[C@@H]1CCc2n[nH]cc2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220261247 824999081 /nfs/dbraw/zinc/99/90/81/824999081.db2.gz VWAWIJMTXOIKPT-LALPHHSUSA-N 2 0 289.383 -0.418 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N(CC[NH3+])c1cccnc1 ZINC001220263719 824999128 /nfs/dbraw/zinc/99/91/28/824999128.db2.gz VFRVOHIGDALHRJ-NSHDSACASA-N 3 0 283.401 -0.608 20 0 CBADRP [NH3+]CCN(C(=O)[C@]12C[NH2+]C[C@H]1CCN2)c1cccnc1 ZINC001220261350 824999263 /nfs/dbraw/zinc/99/92/63/824999263.db2.gz XJTLZSKQZBHYMO-RISCZKNCSA-N 2 0 275.356 -0.675 20 0 CBADRP [NH3+]CCN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)c1cccnc1 ZINC001220263338 824999638 /nfs/dbraw/zinc/99/96/38/824999638.db2.gz HEDKQBLBYXHGNW-QWRGUYRKSA-N 2 0 250.302 -0.904 20 0 CBADRP CCOCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277076 825002488 /nfs/dbraw/zinc/00/24/88/825002488.db2.gz PZMBTXXIBBRVKH-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP COCCn1cncc1CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220275418 825002785 /nfs/dbraw/zinc/00/27/85/825002785.db2.gz YGYBSAFPHYXFHM-CYBMUJFWSA-N 2 0 295.387 -0.527 20 0 CBADRP COCCn1cncc1CNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220274664 825003336 /nfs/dbraw/zinc/00/33/36/825003336.db2.gz NAJFZXHUQQWZGV-NSHDSACASA-N 2 0 269.349 -0.788 20 0 CBADRP COCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276872 825003474 /nfs/dbraw/zinc/00/34/74/825003474.db2.gz LZVVZKFRQLSFAH-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCc1cnn(C)c1 ZINC001220276242 825003944 /nfs/dbraw/zinc/00/39/44/825003944.db2.gz AUHZTQJCDCIPOX-LBPRGKRZSA-N 2 0 267.377 -0.204 20 0 CBADRP COCCn1cncc1CNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220274501 825004178 /nfs/dbraw/zinc/00/41/78/825004178.db2.gz FORDFWZXVBCFIJ-LBPRGKRZSA-N 2 0 297.403 -0.008 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@H]1CC[NH2+]C1 ZINC001220282368 825005246 /nfs/dbraw/zinc/00/52/46/825005246.db2.gz JEDHUTIZDNLPFU-DCAQKATOSA-N 2 0 270.377 -0.657 20 0 CBADRP C[N@@H+]1CCCN(CCNC(=O)[C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001220306808 825010463 /nfs/dbraw/zinc/01/04/63/825010463.db2.gz OXWHHHNOERDTFC-CHWSQXEVSA-N 2 0 286.395 -0.312 20 0 CBADRP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001220310483 825011865 /nfs/dbraw/zinc/01/18/65/825011865.db2.gz AVFSVZKLITZVON-IWIIMEHWSA-N 2 0 275.356 -0.542 20 0 CBADRP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@H]1CC[NH2+]C[C@@H]1F ZINC001220313891 825012662 /nfs/dbraw/zinc/01/26/62/825012662.db2.gz YJAKSCLQKMGCMX-QWRGUYRKSA-N 2 0 295.362 -0.060 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316895 825013222 /nfs/dbraw/zinc/01/32/22/825013222.db2.gz UMJBYDSKNMAEMN-SGMGOOAPSA-N 2 0 293.371 -0.693 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316889 825013571 /nfs/dbraw/zinc/01/35/71/825013571.db2.gz UMJBYDSKNMAEMN-BZPMIXESSA-N 2 0 293.371 -0.693 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C[C@@H](O)C[NH3+] ZINC001220333613 825016602 /nfs/dbraw/zinc/01/66/02/825016602.db2.gz WPQBALNVVCJNIP-NWDGAFQWSA-N 2 0 257.378 -0.067 20 0 CBADRP O=C(NCc1cn[nH]n1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220329704 825016986 /nfs/dbraw/zinc/01/69/86/825016986.db2.gz XTXGLKXXHBKDIM-SNVBAGLBSA-N 2 0 264.333 -0.705 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001220335801 825017202 /nfs/dbraw/zinc/01/72/02/825017202.db2.gz UNNRZPXVQTZTBS-UPJWGTAASA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CNCC[NH3+] ZINC001220334996 825017210 /nfs/dbraw/zinc/01/72/10/825017210.db2.gz GKENGYLWKSEXFT-LBPRGKRZSA-N 2 0 256.394 -0.229 20 0 CBADRP COC(=O)c1n[nH]cc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220373644 825023162 /nfs/dbraw/zinc/02/31/62/825023162.db2.gz VZPJIQDIOSKGIB-SECBINFHSA-N 2 0 281.316 -0.538 20 0 CBADRP COC(=O)c1n[nH]cc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220373320 825023891 /nfs/dbraw/zinc/02/38/91/825023891.db2.gz JMIQMBBGOHFPED-AMIZOPFISA-N 2 0 293.327 -0.666 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@H]1COCCN1C ZINC001220381040 825025118 /nfs/dbraw/zinc/02/51/18/825025118.db2.gz GEERZGLDOPAYOW-RYUDHWBXSA-N 2 0 272.393 -0.850 20 0 CBADRP [NH3+][C@@H](C(=O)NCc1ncccc1O)C1CC[NH2+]CC1 ZINC001220390289 825027041 /nfs/dbraw/zinc/02/70/41/825027041.db2.gz WXEPGBZPBOQESX-GFCCVEGCSA-N 2 0 264.329 -0.270 20 0 CBADRP C[NH+](C)CCC(C)(C)NC(=O)C1(N)CC[NH2+]CC1 ZINC001220386571 825027111 /nfs/dbraw/zinc/02/71/11/825027111.db2.gz ZPXDLYKADVTSAL-UHFFFAOYSA-N 2 0 256.394 -0.086 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387760 825027173 /nfs/dbraw/zinc/02/71/73/825027173.db2.gz PWGXXKPXOOEKMR-MCIONIFRSA-N 2 0 299.415 -0.332 20 0 CBADRP C=CC(=O)NCCNC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001220396444 825027821 /nfs/dbraw/zinc/02/78/21/825027821.db2.gz BPMNXURLVCSSLJ-LBPRGKRZSA-N 2 0 284.404 -0.100 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394812 825027878 /nfs/dbraw/zinc/02/78/78/825027878.db2.gz NLIFPKYUJCLKNH-NSHDSACASA-N 3 0 286.445 -0.392 20 0 CBADRP N[C@]1(C(=O)NCC23CC[NH+](CC2)CC3)CCC[NH2+]C1 ZINC001220395005 825028063 /nfs/dbraw/zinc/02/80/63/825028063.db2.gz RIJZFQJBISPPGF-CQSZACIVSA-N 2 0 266.389 -0.331 20 0 CBADRP O=C(NCC12CC[NH+](CC1)CC2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220394874 825028592 /nfs/dbraw/zinc/02/85/92/825028592.db2.gz PBLYIVZECIVTAA-CZUORRHYSA-N 3 0 292.427 -0.212 20 0 CBADRP CNOCCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220402999 825030003 /nfs/dbraw/zinc/03/00/03/825030003.db2.gz GSVZTXHKUJACMY-SNVBAGLBSA-N 2 0 256.350 -0.872 20 0 CBADRP CNC(=O)[C@H](C)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220418928 825035320 /nfs/dbraw/zinc/03/53/20/825035320.db2.gz VPFOAWPDHSRIMS-VHSXEESVSA-N 2 0 268.361 -0.889 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001220429577 825037007 /nfs/dbraw/zinc/03/70/07/825037007.db2.gz VBUDYZKZBCCBSH-MGPQQGTHSA-N 2 0 296.415 -0.835 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC001220497127 825049993 /nfs/dbraw/zinc/04/99/93/825049993.db2.gz KWDALIYFARBNBZ-HUTHGQBESA-N 2 0 261.391 -0.530 20 0 CBADRP [NH3+]C1(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCCC1 ZINC001220494277 825050668 /nfs/dbraw/zinc/05/06/68/825050668.db2.gz IOGNCJDUHSHAJZ-SNVBAGLBSA-N 3 0 252.362 -0.817 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001220500791 825051155 /nfs/dbraw/zinc/05/11/55/825051155.db2.gz KPSYEEDKGAQNDJ-STQMWFEESA-N 2 0 290.367 -0.248 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCCOCCOCC[NH3+] ZINC001220519134 825053526 /nfs/dbraw/zinc/05/35/26/825053526.db2.gz CCMQTJJVEKZXNN-NSHDSACASA-N 2 0 291.392 -0.763 20 0 CBADRP [NH3+]CCOCCOCCNC(=O)C1CC[NH2+]CC1 ZINC001220519085 825053617 /nfs/dbraw/zinc/05/36/17/825053617.db2.gz ANFKEDMUURCCLP-UHFFFAOYSA-N 2 0 259.350 -0.906 20 0 CBADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCCOCCOCC[NH3+])C1 ZINC001220519458 825054237 /nfs/dbraw/zinc/05/42/37/825054237.db2.gz OTQZFHXYONKBGC-NWDGAFQWSA-N 2 0 273.377 -0.517 20 0 CBADRP C[NH2+][C@H](C(=O)NCCN(C)CC[NH3+])[C@@H](C)OC(C)(C)C ZINC001220515795 825054536 /nfs/dbraw/zinc/05/45/36/825054536.db2.gz KWSMHLVVYGBVNS-NEPJUHHUSA-N 2 0 288.436 -0.215 20 0 CBADRP CC(C)(O)CCCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220573635 825067475 /nfs/dbraw/zinc/06/74/75/825067475.db2.gz QYTKEPHBEVFSFZ-JTQLQIEISA-N 2 0 255.362 -0.537 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](C)OC)C[C@@H]1O ZINC001220583227 825070975 /nfs/dbraw/zinc/07/09/75/825070975.db2.gz SSPGBDHETLTRQZ-XQQFMLRXSA-N 2 0 287.404 -0.476 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220585130 825071875 /nfs/dbraw/zinc/07/18/75/825071875.db2.gz YGAFIUOEPOHAEG-MJBXVCDLSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1ncc(F)cn1 ZINC001220599152 825075487 /nfs/dbraw/zinc/07/54/87/825075487.db2.gz NGTKAHJPGBTSSL-GPCCPHFNSA-N 2 0 293.346 -0.008 20 0 CBADRP O=C(N[C@@H]1NC(=O)c2ccccc21)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220620356 825077590 /nfs/dbraw/zinc/07/75/90/825077590.db2.gz SHASYRIAFPYWPL-RYUDHWBXSA-N 2 0 286.335 -0.646 20 0 CBADRP Cn1nc(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c2ccccc21 ZINC001220632227 825078069 /nfs/dbraw/zinc/07/80/69/825078069.db2.gz OQPZJWWTHAIGDZ-LBPRGKRZSA-N 2 0 299.378 -0.002 20 0 CBADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1C[NH2+]C[C@@H]1O ZINC001220680841 825084007 /nfs/dbraw/zinc/08/40/07/825084007.db2.gz SZLBVCXJLJDDEB-KNZXXDILSA-N 2 0 253.346 -0.644 20 0 CBADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220678486 825084690 /nfs/dbraw/zinc/08/46/90/825084690.db2.gz AUHUUSNUWSIQLM-MROQNXINSA-N 3 0 278.400 -0.415 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](C)OC)C[C@@H]1O ZINC001220688504 825087174 /nfs/dbraw/zinc/08/71/74/825087174.db2.gz JEOXTYNIYARLNF-UPJWGTAASA-N 2 0 287.404 -0.476 20 0 CBADRP Nc1ncc(CCNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)s1 ZINC001220704915 825089955 /nfs/dbraw/zinc/08/99/55/825089955.db2.gz YHGMHCUJAIVBHA-VIFPVBQESA-N 2 0 281.385 -0.807 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)Nc1cccnc1C[NH3+] ZINC001220712307 825090682 /nfs/dbraw/zinc/09/06/82/825090682.db2.gz YVQRIMXXVDJADL-DCXZOGHSSA-N 2 0 270.358 -0.425 20 0 CBADRP CC(C)(C)NC(=O)CCNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220709497 825091681 /nfs/dbraw/zinc/09/16/81/825091681.db2.gz ZJBJNFNVBLJMKV-SECBINFHSA-N 2 0 258.366 -0.526 20 0 CBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C2 ZINC001220716721 825093878 /nfs/dbraw/zinc/09/38/78/825093878.db2.gz PHJNNXNBEAJUQF-UJPOAAIJSA-N 2 0 267.373 -0.159 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@H](C)CNC(C)=O ZINC001220757030 825097747 /nfs/dbraw/zinc/09/77/47/825097747.db2.gz QUAGGPUYKIIDPS-PWSUYJOCSA-N 2 0 272.393 -0.408 20 0 CBADRP CC1(C)[C@H](O)C[C@H]1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220765865 825098736 /nfs/dbraw/zinc/09/87/36/825098736.db2.gz GYGFABAHPNNWDL-IVZWLZJFSA-N 2 0 253.346 -0.929 20 0 CBADRP [NH3+][C@@H]1COC[C@@H]1C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220780237 825100826 /nfs/dbraw/zinc/10/08/26/825100826.db2.gz ALBBPDBTOZZWTR-YGNMPJRFSA-N 2 0 253.346 -0.120 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220781338 825101133 /nfs/dbraw/zinc/10/11/33/825101133.db2.gz YEJBMINTLKZVKB-YUTCNCBUSA-N 2 0 266.389 -0.190 20 0 CBADRP [NH3+]CCOCCOCC(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220777646 825101300 /nfs/dbraw/zinc/10/13/00/825101300.db2.gz YEWODZKFMXIATN-KGLIPLIRSA-N 2 0 285.388 -0.101 20 0 CBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220775201 825101485 /nfs/dbraw/zinc/10/14/85/825101485.db2.gz MMLISWHNCKFRHT-GDLCADMTSA-N 2 0 297.403 -0.318 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@H]3NC(=O)CC34C[NH2+]C4)(C1)CCC2 ZINC001220777248 825101616 /nfs/dbraw/zinc/10/16/16/825101616.db2.gz JZPDSEFWQNBWNI-BYCMXARLSA-N 2 0 292.383 -0.615 20 0 CBADRP O=C(NC[C@H]1CC[NH2+][C@H]1c1cccnc1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220790373 825102076 /nfs/dbraw/zinc/10/20/76/825102076.db2.gz QZBHGMJRTLCCGD-RFGFWPKPSA-N 2 0 290.367 -0.429 20 0 CBADRP O=C(NC[C@H]1CC[NH2+][C@H]1c1cccnc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220787972 825102254 /nfs/dbraw/zinc/10/22/54/825102254.db2.gz AAYNOKZFEOVFFE-SYQHCUMBSA-N 2 0 290.367 -0.429 20 0 CBADRP O=C(NC[C@H]1CC[NH2+][C@H]1c1cccnc1)[C@@H]1C[NH2+]CCN1 ZINC001220791206 825102517 /nfs/dbraw/zinc/10/25/17/825102517.db2.gz XFDFQWGKGDHXNK-RDBSUJKOSA-N 2 0 289.383 -0.590 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@H]1C[NH2+]CCN1 ZINC001220791196 825102815 /nfs/dbraw/zinc/10/28/15/825102815.db2.gz XFDFQWGKGDHXNK-BFHYXJOUSA-N 2 0 289.383 -0.590 20 0 CBADRP NC1(C(=O)N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)CC[NH2+]CC1 ZINC001220803491 825104127 /nfs/dbraw/zinc/10/41/27/825104127.db2.gz HSRQOLWPMGLWQM-BDAKNGLRSA-N 2 0 294.321 -0.276 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220803085 825104169 /nfs/dbraw/zinc/10/41/69/825104169.db2.gz BOWFITPYZQREDD-FXQIFTODSA-N 2 0 268.283 -0.681 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@@H]1C[NH2+]C[C@H]1O ZINC001220803179 825104279 /nfs/dbraw/zinc/10/42/79/825104279.db2.gz CLVLAJLUFKRDRH-BZNPZCIMSA-N 2 0 281.278 -0.777 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@H]1[NH2+]CC[C@@H]1O ZINC001220805772 825104507 /nfs/dbraw/zinc/10/45/07/825104507.db2.gz VDDMNVRSHWVRMU-XGEHTFHBSA-N 2 0 281.278 -0.634 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220803182 825104658 /nfs/dbraw/zinc/10/46/58/825104658.db2.gz CLVLAJLUFKRDRH-XAVMHZPKSA-N 2 0 281.278 -0.777 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)C1 ZINC001220806046 825104719 /nfs/dbraw/zinc/10/47/19/825104719.db2.gz XEXRLXJMJRDRRX-MAUMQABQSA-N 2 0 280.294 -0.668 20 0 CBADRP O=C(NCCN1CCC(F)(F)C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220808284 825105834 /nfs/dbraw/zinc/10/58/34/825105834.db2.gz NCRMESKJRRDBLL-JTQLQIEISA-N 2 0 288.342 -0.747 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCC)C[C@@H]1O ZINC001220822296 825105867 /nfs/dbraw/zinc/10/58/67/825105867.db2.gz RXWSASGXRNIYBV-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C[C@]2(C)CC[NH2+]C2)C[NH2+]C1 ZINC001220826917 825106734 /nfs/dbraw/zinc/10/67/34/825106734.db2.gz BSMUGOSUTAXVDD-AWEZNQCLSA-N 2 0 281.356 -0.087 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C[NH2+]C1 ZINC001220826993 825107110 /nfs/dbraw/zinc/10/71/10/825107110.db2.gz DVKGHJOVGVDNGT-RTCCRHLQSA-N 2 0 293.367 -0.231 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC)C[C@@H]1O ZINC001220826118 825107216 /nfs/dbraw/zinc/10/72/16/825107216.db2.gz NISVXBMFDJIFKK-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C[NH2+]C(C)C)C[NH2+]C1 ZINC001220826972 825107276 /nfs/dbraw/zinc/10/72/76/825107276.db2.gz DKRDCZYJLYKBAL-UHFFFAOYSA-N 2 0 255.318 -0.479 20 0 CBADRP COc1ccc(CNC(=O)[C@H]([NH3+])CCC[NH3+])c(OC)n1 ZINC001220823428 825107395 /nfs/dbraw/zinc/10/73/95/825107395.db2.gz JBBYQOUZDUWFCA-SNVBAGLBSA-N 2 0 282.344 -0.219 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C(C)(C)C[NH3+])C[NH2+]C1 ZINC001220827538 825107862 /nfs/dbraw/zinc/10/78/62/825107862.db2.gz REVJZHZOWWCXPM-UHFFFAOYSA-N 2 0 255.318 -0.492 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C[NH2+]C1 ZINC001220828339 825108015 /nfs/dbraw/zinc/10/80/15/825108015.db2.gz MJHIJVPZZVFSOB-GFCCVEGCSA-N 2 0 293.367 -0.135 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)C[NH2+]C1 ZINC001220829281 825108250 /nfs/dbraw/zinc/10/82/50/825108250.db2.gz ZFDROSUZAIGPGL-ONGXEEELSA-N 2 0 281.356 -0.104 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C2([NH3+])CCCC2)C[NH2+]C1 ZINC001220827270 825108335 /nfs/dbraw/zinc/10/83/35/825108335.db2.gz LHNGFGDMPPYYOW-UHFFFAOYSA-N 2 0 267.329 -0.206 20 0 CBADRP CCOC(=O)C1=C(NC(=O)CCC[NH2+]C)C[NH2+]C1 ZINC001220827401 825108340 /nfs/dbraw/zinc/10/83/40/825108340.db2.gz MFOLYIFOXJLDEH-UHFFFAOYSA-N 2 0 255.318 -0.477 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C[C@@H]2CC[NH2+]C[C@@H]2F)C[NH2+]C1 ZINC001220828052 825108633 /nfs/dbraw/zinc/10/86/33/825108633.db2.gz FFBHIPKKUXDFRA-ONGXEEELSA-N 2 0 299.346 -0.139 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CC(F)F)C[NH2+]C1 ZINC001220830144 825109852 /nfs/dbraw/zinc/10/98/52/825109852.db2.gz PLVCGDVADMBTHK-ZETCQYMHSA-N 2 0 277.271 -0.495 20 0 CBADRP CSCC[C@H](NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C(N)=O ZINC001220839915 825110908 /nfs/dbraw/zinc/11/09/08/825110908.db2.gz GDTDNLHYFLAREL-UWVGGRQHSA-N 2 0 290.433 -0.444 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CNC1CC[NH2+]CC1 ZINC001220857911 825113373 /nfs/dbraw/zinc/11/33/73/825113373.db2.gz XURSKXSFUWRLTD-NSHDSACASA-N 2 0 256.394 -0.182 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH3+] ZINC001220855075 825113715 /nfs/dbraw/zinc/11/37/15/825113715.db2.gz LBJPVNGHFZMJHA-LBPRGKRZSA-N 3 0 282.413 -0.219 20 0 CBADRP O=C(NCCc1c[nH]c2cc[nH+]cc12)[C@H]1C[NH2+]C[C@H]1O ZINC001220865833 825115158 /nfs/dbraw/zinc/11/51/58/825115158.db2.gz MIYCMJXDBMKANL-WCQYABFASA-N 2 0 274.324 -0.198 20 0 CBADRP COc1cncc(CNC(=O)[C@H]([NH3+])CCC[NH3+])c1 ZINC001220871240 825117304 /nfs/dbraw/zinc/11/73/04/825117304.db2.gz WTBJVTMXTPMCQH-LLVKDONJSA-N 2 0 252.318 -0.227 20 0 CBADRP COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220881432 825119108 /nfs/dbraw/zinc/11/91/08/825119108.db2.gz KMAYEOMPYUBKNN-QJPTWQEYSA-N 2 0 295.383 -0.214 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)C1=NO[C@@]2(CC[NH2+]C2)C1 ZINC001220884906 825119318 /nfs/dbraw/zinc/11/93/18/825119318.db2.gz RBIBKXJLIDIBLT-CABZTGNLSA-N 2 0 252.318 -0.637 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220882148 825119941 /nfs/dbraw/zinc/11/99/41/825119941.db2.gz SMHIKWMZKQMDAJ-KOLCDFICSA-N 2 0 251.334 -0.842 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1C[NH2+]Cc2ccnn2C1 ZINC001220882604 825119959 /nfs/dbraw/zinc/11/99/59/825119959.db2.gz XFJAEKACNXZSPP-GHMZBOCLSA-N 2 0 263.345 -0.529 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220884459 825120264 /nfs/dbraw/zinc/12/02/64/825120264.db2.gz CPZPQBLHKFWUCA-NWDGAFQWSA-N 3 0 266.389 -0.271 20 0 CBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC001220886895 825121217 /nfs/dbraw/zinc/12/12/17/825121217.db2.gz ORWSHHPQPDGSSA-OLZOCXBDSA-N 2 0 290.367 -0.477 20 0 CBADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220889722 825121267 /nfs/dbraw/zinc/12/12/67/825121267.db2.gz NSCGNXWNUHOZHW-HBNTYKKESA-N 2 0 255.318 -0.994 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220889431 825121364 /nfs/dbraw/zinc/12/13/64/825121364.db2.gz KTHXJJULXCZWKB-GMTAPVOTSA-N 2 0 269.345 -0.747 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)c1cccnc1N1CC[NH2+]CC1 ZINC001220893215 825121503 /nfs/dbraw/zinc/12/15/03/825121503.db2.gz VWWNOVXLCYBRCG-GFCCVEGCSA-N 2 0 289.383 -0.027 20 0 CBADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C2COC2)CC1 ZINC001220930054 825123733 /nfs/dbraw/zinc/12/37/33/825123733.db2.gz LHDKPVJLNOAPGE-UKJIMTQDSA-N 2 0 283.372 -0.794 20 0 CBADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@@H]2C[NH2+]C[C@H]2O)C2COC2)CC1 ZINC001220929787 825123775 /nfs/dbraw/zinc/12/37/75/825123775.db2.gz FJNOXEWTZJGGEB-FPQZTECRSA-N 2 0 283.372 -0.936 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220929511 825124215 /nfs/dbraw/zinc/12/42/15/825124215.db2.gz AZBRDGDSFXJYBD-UKJIMTQDSA-N 2 0 282.388 -0.970 20 0 CBADRP O=C(NC1(c2ncccn2)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220932100 825126206 /nfs/dbraw/zinc/12/62/06/825126206.db2.gz GYQHCBGQCXIQCU-BXUZGUMPSA-N 2 0 287.367 -0.219 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937434 825126728 /nfs/dbraw/zinc/12/67/28/825126728.db2.gz RINZDNSSOGALDS-SFYZADRCSA-N 2 0 251.277 -0.536 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220940993 825126853 /nfs/dbraw/zinc/12/68/53/825126853.db2.gz JUUFZEYNPOQYCM-IJLUTSLNSA-N 2 0 293.371 -0.211 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCC(=O)NCc1ccc(F)cc1 ZINC001220939064 825127401 /nfs/dbraw/zinc/12/74/01/825127401.db2.gz GLHNOURWJUZNND-GFCCVEGCSA-N 2 0 296.346 -0.376 20 0 CBADRP N=c1ncc(C[NH3+])cn1C(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001220951371 825129311 /nfs/dbraw/zinc/12/93/11/825129311.db2.gz YVTYTAVNCRKZJG-RKDXNWHRSA-N 2 0 253.281 -0.591 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCC1(c2cnccn2)CC1 ZINC001220992325 825131346 /nfs/dbraw/zinc/13/13/46/825131346.db2.gz MEKXNYRUOSSWBY-JTQLQIEISA-N 2 0 295.412 -0.356 20 0 CBADRP CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220980917 825132003 /nfs/dbraw/zinc/13/20/03/825132003.db2.gz BPYKMTKMPTWJPK-MCIONIFRSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986300 825132596 /nfs/dbraw/zinc/13/25/96/825132596.db2.gz ZKYZCJJPKFLPML-XQQFMLRXSA-N 2 0 285.388 -0.864 20 0 CBADRP CCc1nnc2ccc(CNC(=O)[C@@H]([NH3+])CCC[NH3+])cn21 ZINC001220992862 825134132 /nfs/dbraw/zinc/13/41/32/825134132.db2.gz VVEXQZYRWYUKSJ-NSHDSACASA-N 2 0 290.371 -0.026 20 0 CBADRP O=C(NCCc1nncs1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221013556 825136936 /nfs/dbraw/zinc/13/69/36/825136936.db2.gz RPVSBTZYBRMTAH-MRVPVSSYSA-N 2 0 267.358 -0.994 20 0 CBADRP COC[C@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C1CC1 ZINC001221012994 825137237 /nfs/dbraw/zinc/13/72/37/825137237.db2.gz GUUSVJGPELKBEM-MNOVXSKESA-N 2 0 253.346 -0.663 20 0 CBADRP O=C(N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001221056057 825139523 /nfs/dbraw/zinc/13/95/23/825139523.db2.gz CPWBTQGJFGSQND-SYQHCUMBSA-N 2 0 297.399 -0.674 20 0 CBADRP [NH3+]CCN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1ccc(F)cc1 ZINC001221060617 825139755 /nfs/dbraw/zinc/13/97/55/825139755.db2.gz HQOLVVBBOSWNIJ-RYUDHWBXSA-N 2 0 267.304 -0.160 20 0 CBADRP O=C(N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1)[C@@H]1C[NH2+]C[C@H]1O ZINC001221056056 825139906 /nfs/dbraw/zinc/13/99/06/825139906.db2.gz CPWBTQGJFGSQND-AAVRWANBSA-N 2 0 297.399 -0.674 20 0 CBADRP COC(=O)c1ccc(CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)[nH]1 ZINC001221080341 825141639 /nfs/dbraw/zinc/14/16/39/825141639.db2.gz YALNCWXFKAIZNC-GFCCVEGCSA-N 2 0 294.355 -0.256 20 0 CBADRP [NH3+][C@H](C(=O)NC1(c2cnccn2)CC1)C1CC[NH2+]CC1 ZINC001221081959 825142229 /nfs/dbraw/zinc/14/22/29/825142229.db2.gz AGSXPZFIYJIHSD-LBPRGKRZSA-N 2 0 275.356 -0.091 20 0 CBADRP Cc1nccnc1CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221103912 825142883 /nfs/dbraw/zinc/14/28/83/825142883.db2.gz SMJWNKFDMCDHEH-SNVBAGLBSA-N 2 0 261.329 -0.790 20 0 CBADRP COc1cccc(C2([NH3+])CCN(C(=O)[C@@H](N)C[NH3+])CC2)c1 ZINC001221092176 825143209 /nfs/dbraw/zinc/14/32/09/825143209.db2.gz RMGPUVGPPMDUAU-ZDUSSCGKSA-N 2 0 292.383 -0.242 20 0 CBADRP Cc1nccnc1CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001221103762 825144030 /nfs/dbraw/zinc/14/40/30/825144030.db2.gz QHVAXKAKLCDXSE-GFCCVEGCSA-N 2 0 263.345 -0.272 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1ccnn1CCF ZINC001221107548 825145584 /nfs/dbraw/zinc/14/55/84/825145584.db2.gz FBDLKZOKXRWDAA-JTQLQIEISA-N 2 0 289.380 -0.512 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@@]2(N)CCC[NH2+]C2)CC1 ZINC001221134499 825146758 /nfs/dbraw/zinc/14/67/58/825146758.db2.gz YVSJISFPTRUKDT-CQSZACIVSA-N 2 0 284.404 -0.576 20 0 CBADRP COCCOc1nccc(CNC(=O)[C@@H]([NH3+])CCC[NH3+])n1 ZINC001221158348 825148771 /nfs/dbraw/zinc/14/87/71/825148771.db2.gz ZXWUYBMDFCGWRN-NSHDSACASA-N 2 0 297.359 -0.816 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC001221188298 825150994 /nfs/dbraw/zinc/15/09/94/825150994.db2.gz ROQHYDQPJLLOQU-QWRGUYRKSA-N 2 0 271.361 -0.227 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)CC1CC[NH2+]CC1 ZINC001221188356 825151520 /nfs/dbraw/zinc/15/15/20/825151520.db2.gz TWUQQEHJEXARDT-NSHDSACASA-N 2 0 271.361 -0.227 20 0 CBADRP CC(C)(C)[NH+]1CC(NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC001221194076 825153317 /nfs/dbraw/zinc/15/33/17/825153317.db2.gz LCUFHNTWGDJGSO-SNVBAGLBSA-N 2 0 255.362 -0.036 20 0 CBADRP C[N@@H+]1CCC[C@@](C)(NC(=O)C2(N)CC[NH2+]CC2)C1 ZINC001221240845 825158526 /nfs/dbraw/zinc/15/85/26/825158526.db2.gz FPVUTXVIZSXDBL-GFCCVEGCSA-N 2 0 254.378 -0.332 20 0 CBADRP O=C(N[C@@H]1CCOC[C@@H]1F)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221242885 825158711 /nfs/dbraw/zinc/15/87/11/825158711.db2.gz ADVKOMQTKLPNEK-KXUCPTDWSA-N 2 0 257.309 -0.961 20 0 CBADRP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001221241122 825159204 /nfs/dbraw/zinc/15/92/04/825159204.db2.gz OMRCXGRKAHFPMY-CIQGVGRVSA-N 2 0 266.389 -0.463 20 0 CBADRP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@]2(N)CCC[NH2+]C2)C1 ZINC001221243510 825159886 /nfs/dbraw/zinc/15/98/86/825159886.db2.gz JUHSPHRUMHNWGI-OLZOCXBDSA-N 2 0 254.378 -0.332 20 0 CBADRP N[C@]1(C(=O)NC[C@]2(CC3CC3)CCC[NH2+]2)CC[NH2+]C1 ZINC001221248265 825161865 /nfs/dbraw/zinc/16/18/65/825161865.db2.gz PGGQOAZJMJRKBG-ZIAGYGMSSA-N 2 0 266.389 -0.284 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)NC[C@]2(CC3CC3)CCC[NH2+]2)C1 ZINC001221248478 825162478 /nfs/dbraw/zinc/16/24/78/825162478.db2.gz XXDJMHNWHZWOAA-MBNYWOFBSA-N 2 0 266.389 -0.286 20 0 CBADRP O=C(N[C@@H]1CCCNC(=O)C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221269559 825164826 /nfs/dbraw/zinc/16/48/26/825164826.db2.gz PZSNXKYHRZFYHB-VXGBXAGGSA-N 2 0 294.399 -0.355 20 0 CBADRP Nc1cn(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c(N)nc1=O ZINC001221332073 825172004 /nfs/dbraw/zinc/17/20/04/825172004.db2.gz WWWWEFIUVHNPJW-VIFPVBQESA-N 2 0 292.343 -0.835 20 0 CBADRP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001221333927 825172287 /nfs/dbraw/zinc/17/22/87/825172287.db2.gz VQIQJNZLXCFHBJ-IHRRRGAJSA-N 2 0 275.352 -0.379 20 0 CBADRP [NH3+]CCCCNC(=O)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001221343695 825174576 /nfs/dbraw/zinc/17/45/76/825174576.db2.gz PRRUASBBGUCLBS-GFCCVEGCSA-N 2 0 291.399 -0.011 20 0 CBADRP [NH3+]CCCCNC(=O)[C@H]1C[NH2+]Cc2ccnn2C1 ZINC001221342579 825174775 /nfs/dbraw/zinc/17/47/75/825174775.db2.gz CMLRFEBPWBTYPV-JTQLQIEISA-N 2 0 251.334 -0.542 20 0 CBADRP [NH3+]CCCCNC(=O)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001221345979 825174960 /nfs/dbraw/zinc/17/49/60/825174960.db2.gz LNPRIODJNAYACY-UHFFFAOYSA-N 2 0 278.360 -0.645 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221365708 825175720 /nfs/dbraw/zinc/17/57/20/825175720.db2.gz HKMQMNIPUVDWBE-IJLUTSLNSA-N 3 0 284.379 -0.323 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221365707 825175701 /nfs/dbraw/zinc/17/57/01/825175701.db2.gz HKMQMNIPUVDWBE-GRYCIOLGSA-N 3 0 284.379 -0.323 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221365458 825176307 /nfs/dbraw/zinc/17/63/07/825176307.db2.gz DAXVFAUUDLWWLK-XNDJQWLSSA-N 2 0 288.367 -0.708 20 0 CBADRP COC1CC(CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001221366622 825176793 /nfs/dbraw/zinc/17/67/93/825176793.db2.gz JIWLJNWAHHHLKD-NHNAUAITSA-N 2 0 255.362 -0.146 20 0 CBADRP COC1CC(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001221367993 825177199 /nfs/dbraw/zinc/17/71/99/825177199.db2.gz VMZMTOMDLQZVMN-ILDUYXDCSA-N 2 0 253.346 -0.663 20 0 CBADRP CCCC(C[NH3+])(CCC)NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001221371981 825179222 /nfs/dbraw/zinc/17/92/22/825179222.db2.gz JJTXNSWBZCWTHO-GFCCVEGCSA-N 2 0 298.431 -0.269 20 0 CBADRP NC1=CC=C(C2CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2)[NH2+]C1 ZINC001221392136 825179631 /nfs/dbraw/zinc/17/96/31/825179631.db2.gz SNROHJHCLUGIAK-CYBMUJFWSA-N 3 0 293.415 -0.379 20 0 CBADRP NC1=CC=C(C2CCN(C(=O)[C@]3(N)CC[NH2+]C3)CC2)[NH2+]C1 ZINC001221392307 825179687 /nfs/dbraw/zinc/17/96/87/825179687.db2.gz KZCFULOLONKXLS-HNNXBMFYSA-N 2 0 291.399 -0.755 20 0 CBADRP NC1=CC=C(C2CCN(C(=O)[C@@H]3C[C@H]([NH3+])CN3)CC2)[NH2+]C1 ZINC001221391680 825180287 /nfs/dbraw/zinc/18/02/87/825180287.db2.gz FUGXRXXZYWZAQF-JSGCOSHPSA-N 2 0 291.399 -0.756 20 0 CBADRP CC(C)N(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C(C)(C)C[NH3+] ZINC001221395667 825180801 /nfs/dbraw/zinc/18/08/01/825180801.db2.gz XHXAGSYLGUEOKZ-ZDUSSCGKSA-N 3 0 299.463 -0.289 20 0 CBADRP CC(C)N(C(=O)[C@]12C[NH2+]C[C@@H]1CCN2)C(C)(C)C[NH3+] ZINC001221394066 825181311 /nfs/dbraw/zinc/18/13/11/825181311.db2.gz IELWITISQSQPBB-FZMZJTMJSA-N 2 0 268.405 -0.088 20 0 CBADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1C[NH2+]C[C@@H]1O ZINC001221399568 825182205 /nfs/dbraw/zinc/18/22/05/825182205.db2.gz RFBMZXPAYGQFSO-IHRRRGAJSA-N 2 0 275.352 -0.603 20 0 CBADRP C[NH+](C)CC1CCC(NC(=O)[C@]2(N)CC[NH2+]C2)CC1 ZINC001221402425 825182588 /nfs/dbraw/zinc/18/25/88/825182588.db2.gz GZUAQPMPRQECHR-YIZWMMSDSA-N 2 0 268.405 -0.086 20 0 CBADRP C[C@@]1(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCCOC1 ZINC001221403109 825182767 /nfs/dbraw/zinc/18/27/67/825182767.db2.gz QGKHNAUFLCQPAT-DGCLKSJQSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@]1(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCCOC1 ZINC001221403108 825182876 /nfs/dbraw/zinc/18/28/76/825182876.db2.gz QGKHNAUFLCQPAT-AAEUAGOBSA-N 2 0 255.362 -0.001 20 0 CBADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC001221404213 825183814 /nfs/dbraw/zinc/18/38/14/825183814.db2.gz LNGPGVGUZVPGEF-AVGNSLFASA-N 2 0 279.340 -0.609 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@@H]2O)[C@H](C)C1 ZINC001221407046 825184269 /nfs/dbraw/zinc/18/42/69/825184269.db2.gz KHAMJDQXTBAMMF-NDBYEHHHSA-N 2 0 269.389 -0.198 20 0 CBADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@H]2[NH2+]CC[C@H]2O)c1 ZINC001221405256 825184363 /nfs/dbraw/zinc/18/43/63/825184363.db2.gz RFFRHXUCEWSJKL-UPJWGTAASA-N 2 0 279.340 -0.466 20 0 CBADRP COc1cccc([C@@H](C[NH3+])NC(=O)C[C@H](O)C[NH3+])c1 ZINC001221404182 825184426 /nfs/dbraw/zinc/18/44/26/825184426.db2.gz HLRILMRMQBRLNF-CMPLNLGQSA-N 2 0 267.329 -0.479 20 0 CBADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@]2(N)CCC[NH2+]C2)c1 ZINC001221403972 825184567 /nfs/dbraw/zinc/18/45/67/825184567.db2.gz JZIYVTUTCMZSPG-HIFRSBDPSA-N 2 0 292.383 -0.108 20 0 CBADRP C[NH+]1CCC(CO)(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001221403826 825184612 /nfs/dbraw/zinc/18/46/12/825184612.db2.gz ZEVFPYWLXBEJAH-URLYPYJESA-N 2 0 253.346 -0.975 20 0 CBADRP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221410808 825185297 /nfs/dbraw/zinc/18/52/97/825185297.db2.gz RLPSOCMVTMUEMH-OLZOCXBDSA-N 3 0 278.400 -0.700 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221408118 825185457 /nfs/dbraw/zinc/18/54/57/825185457.db2.gz HGJAFNWFJFZICW-NWDGAFQWSA-N 3 0 254.378 -0.443 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221408119 825185822 /nfs/dbraw/zinc/18/58/22/825185822.db2.gz HGJAFNWFJFZICW-RYUDHWBXSA-N 3 0 254.378 -0.443 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221409060 825185837 /nfs/dbraw/zinc/18/58/37/825185837.db2.gz MBWDKWAGOMYOHB-SYTFOFBDSA-N 2 0 287.429 -0.413 20 0 CBADRP [NH3+][C@@H](C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1)C1CC[NH2+]CC1 ZINC001221408048 825185914 /nfs/dbraw/zinc/18/59/14/825185914.db2.gz GGUISMSEAYAHAC-KGLIPLIRSA-N 3 0 280.416 -0.182 20 0 CBADRP N[C@@]1(C(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)CCC[NH2+]C1 ZINC001221410314 825186058 /nfs/dbraw/zinc/18/60/58/825186058.db2.gz QOQZCSVJNCIOLM-JSGCOSHPSA-N 2 0 266.389 -0.428 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2[NH2+]CC[C@H]2O)[C@H](C)C1 ZINC001221408458 825186248 /nfs/dbraw/zinc/18/62/48/825186248.db2.gz JMJWVYIMDYSTJI-LPWJVIDDSA-N 2 0 269.389 -0.056 20 0 CBADRP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001221411961 825187581 /nfs/dbraw/zinc/18/75/81/825187581.db2.gz ZWZSJIGHVDJRQI-UTUOFQBUSA-N 2 0 253.346 -0.787 20 0 CBADRP C([C@@H]1COCC[NH2+]1)N1CCNC2(CC[NH2+]CC2)C1 ZINC001222085998 825199471 /nfs/dbraw/zinc/19/94/71/825199471.db2.gz QTFSWFVUSDUAMQ-GFCCVEGCSA-N 2 0 254.378 -0.998 20 0 CBADRP COC(=O)CCC[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222080825 825200003 /nfs/dbraw/zinc/20/00/03/825200003.db2.gz OTIMWOARFAXLFW-UHFFFAOYSA-N 2 0 255.362 -0.033 20 0 CBADRP C([C@H]1[C@@H]2C[NH2+]C[C@H]12)[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491462 825212769 /nfs/dbraw/zinc/21/27/69/825212769.db2.gz BXZSPBCUGBIMPY-ZSLBOAEBSA-N 3 0 250.390 -0.522 20 0 CBADRP CC[C@H](C(=O)NCC1CC[NH+](CC(N)=O)CC1)[NH+](C)C ZINC001223596395 825231345 /nfs/dbraw/zinc/23/13/45/825231345.db2.gz AVGFVWGCDLYAQD-GFCCVEGCSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H](C(N)=O)[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224338607 825237529 /nfs/dbraw/zinc/23/75/29/825237529.db2.gz WXZAMEJNBXEEMC-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001224537101 825242178 /nfs/dbraw/zinc/24/21/78/825242178.db2.gz PYKHNRFABZGOGC-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](C(N)=O)[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001225443060 825256307 /nfs/dbraw/zinc/25/63/07/825256307.db2.gz ZXYAOLINMIADGM-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001225345666 825256724 /nfs/dbraw/zinc/25/67/24/825256724.db2.gz CHDUJEBRLKAAGV-JHJVBQTASA-N 2 0 296.415 -0.156 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCOCCO)CC1 ZINC001226555543 825280187 /nfs/dbraw/zinc/28/01/87/825280187.db2.gz XPLKVKQDPXUYSY-AWEZNQCLSA-N 2 0 299.415 -0.330 20 0 CBADRP C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O)C1CC1 ZINC001226801171 825290747 /nfs/dbraw/zinc/29/07/47/825290747.db2.gz UJCPEIQLWXLUDF-BZPMIXESSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O ZINC001228365650 825315754 /nfs/dbraw/zinc/31/57/54/825315754.db2.gz GUJAAKPWNPCQIL-UPJWGTAASA-N 2 0 296.415 -0.156 20 0 CBADRP CC1(C[N@@H+]2CCN3CCNC[C@H]3C2)CC[NH2+]CC1 ZINC001234976604 825478134 /nfs/dbraw/zinc/47/81/34/825478134.db2.gz VNOIXRSULAMYHO-ZDUSSCGKSA-N 2 0 252.406 -0.035 20 0 CBADRP C[N@@H+]1CCC[C@H](CN2CCNC[C@]23CC[NH2+]C3)C1 ZINC001234982551 825479900 /nfs/dbraw/zinc/47/99/00/825479900.db2.gz UUFVTJFXFGQOSE-UONOGXRCSA-N 2 0 252.406 -0.035 20 0 CBADRP [NH3+]C12CC(CCN3CCNC[C@@]34CC[NH2+]C4)(C1)C2 ZINC001234982960 825480131 /nfs/dbraw/zinc/48/01/31/825480131.db2.gz WXYJUSUIXDBFGB-RUXDESIVSA-N 2 0 250.390 -0.105 20 0 CBADRP CC1(C)[NH2+][C@@H](CCN2CCNC[C@@]23CC[NH2+]C3)CO1 ZINC001234978927 825480336 /nfs/dbraw/zinc/48/03/36/825480336.db2.gz CFPIVSATTALLFY-JSGCOSHPSA-N 2 0 268.405 -0.262 20 0 CBADRP c1nc2n(c1CN1CCN[C@]3(CC[NH2+]C3)C1)CC[NH2+]CC2 ZINC001235054944 825485511 /nfs/dbraw/zinc/48/55/11/825485511.db2.gz YLDIZJSZKCXJHM-HNNXBMFYSA-N 2 0 290.415 -0.834 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235324014 825492940 /nfs/dbraw/zinc/49/29/40/825492940.db2.gz MBRWWXCMDGHOKS-ZDEQEGDKSA-N 2 0 297.399 -0.064 20 0 CBADRP CN(C[C@@H]1CCN1CCO)C(=O)C[N@H+](C)C1CCC1 ZINC001235390627 825493873 /nfs/dbraw/zinc/49/38/73/825493873.db2.gz ANWQHZIGLPHSTR-ZDUSSCGKSA-N 2 0 269.389 -0.004 20 0 CBADRP CCOC(=O)[C@@]12C[N@H+](CCO)C[C@@H]1CC[NH2+]CC2 ZINC001235348034 825494256 /nfs/dbraw/zinc/49/42/56/825494256.db2.gz CQXWFUVFNPIECZ-AAEUAGOBSA-N 2 0 256.346 -0.157 20 0 CBADRP OC[C@H]1C[NH2+]CCN1C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001235440057 825495921 /nfs/dbraw/zinc/49/59/21/825495921.db2.gz FIYHPBMRAPMLMK-LSDHHAIUSA-N 2 0 261.369 -0.033 20 0 CBADRP CN(C)C(=O)CO[C@@H]1C[N@H+](CCCC[NH3+])[C@@H]2COC[C@H]12 ZINC001235485605 825498454 /nfs/dbraw/zinc/49/84/54/825498454.db2.gz KXGRIXWQHPOLSE-YNEHKIRRSA-N 2 0 285.388 -0.471 20 0 CBADRP [NH3+]CCN1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001235516490 825499460 /nfs/dbraw/zinc/49/94/60/825499460.db2.gz JKZHEGWLQYFQFO-RYUDHWBXSA-N 2 0 263.345 -0.427 20 0 CBADRP CN(C)C(=O)CN1C(=O)C[C@H]2[C@@H]1CC[N@@H+]2CCCC[NH3+] ZINC001235608584 825506011 /nfs/dbraw/zinc/50/60/11/825506011.db2.gz RKUCNEVYLFUXTK-RYUDHWBXSA-N 2 0 282.388 -0.511 20 0 CBADRP C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1CC[NH3+] ZINC001235616334 825507012 /nfs/dbraw/zinc/50/70/12/825507012.db2.gz UZUWWNZRPVHNSA-CYBMUJFWSA-N 2 0 292.431 -0.034 20 0 CBADRP C[C@@H]([NH3+])CN1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001235597175 825507127 /nfs/dbraw/zinc/50/71/27/825507127.db2.gz OITMWTHLHNVXPG-LLVKDONJSA-N 2 0 279.388 -0.142 20 0 CBADRP CC(=O)N1CC(=O)NC[C@]12CC[N@H+](CCCC[NH3+])C2 ZINC001235627253 825508856 /nfs/dbraw/zinc/50/88/56/825508856.db2.gz ZKYXKDMQWADDDJ-ZDUSSCGKSA-N 2 0 268.361 -0.852 20 0 CBADRP C(CN1CC[NH2+]CCNCC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC001235868380 825515171 /nfs/dbraw/zinc/51/51/71/825515171.db2.gz CYUPQZVUFLLQQX-HNNXBMFYSA-N 3 0 283.464 -0.397 20 0 CBADRP C(CN1CC[NH2+]CCNCC[NH2+]CC1)C1CCOCC1 ZINC001235866146 825515410 /nfs/dbraw/zinc/51/54/10/825515410.db2.gz VTFGETGXZOVXMX-UHFFFAOYSA-N 2 0 284.448 -0.113 20 0 CBADRP Cc1n[nH]cc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235868337 825515432 /nfs/dbraw/zinc/51/54/32/825515432.db2.gz CMQHWBLXAXJTHM-UHFFFAOYSA-N 2 0 266.393 -0.697 20 0 CBADRP CNc1nccc(CN2CC[NH2+]CCNCC[NH2+]CC2)n1 ZINC001235868988 825515599 /nfs/dbraw/zinc/51/55/99/825515599.db2.gz DNCLOLWDOQJEFI-UHFFFAOYSA-N 2 0 293.419 -0.897 20 0 CBADRP O=c1cccc(CN2CC[NH2+]CCNCC[NH2+]CC2)[nH]1 ZINC001235870025 825515675 /nfs/dbraw/zinc/51/56/75/825515675.db2.gz MKSYZHUMVATXLM-UHFFFAOYSA-N 2 0 279.388 -0.628 20 0 CBADRP Cc1nc(C)c(CN2CC[NH2+]CCNCC[NH2+]CC2)[nH]1 ZINC001235869562 825515980 /nfs/dbraw/zinc/51/59/80/825515980.db2.gz DZVODXQHHZCNOZ-UHFFFAOYSA-N 2 0 280.420 -0.389 20 0 CBADRP COC(=O)C[C@H]1C[NH2+]CCN1C[C@@H]1CCCC[NH2+]1 ZINC001235847341 825515991 /nfs/dbraw/zinc/51/59/91/825515991.db2.gz UCIWYUFFNNSCOO-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP Fc1cccnc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871094 825516330 /nfs/dbraw/zinc/51/63/30/825516330.db2.gz SXHXSQUXDBVWEY-UHFFFAOYSA-N 2 0 281.379 -0.195 20 0 CBADRP CC1(CN2CC[NH2+]CCNCC[NH2+]CC2)CC[NH2+]CC1 ZINC001235870850 825517029 /nfs/dbraw/zinc/51/70/29/825517029.db2.gz PSIMMFCVTOOZJX-UHFFFAOYSA-N 3 0 283.464 -0.540 20 0 CBADRP COCOCCCN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871929 825517143 /nfs/dbraw/zinc/51/71/43/825517143.db2.gz ZIOVGMJCSWQLJX-UHFFFAOYSA-N 2 0 274.409 -0.919 20 0 CBADRP [NH3+]CCN(CC[NH3+])Cc1nc2c(s1)C[NH2+]CC2 ZINC001235880098 825517690 /nfs/dbraw/zinc/51/76/90/825517690.db2.gz JNTOSXYJIGYZNN-UHFFFAOYSA-N 3 0 255.391 -0.492 20 0 CBADRP Cc1nc(C)c(CN2CC[NH2+]CCNCC[NH2+]CC2)o1 ZINC001235874632 825518784 /nfs/dbraw/zinc/51/87/84/825518784.db2.gz UKXVWNDDMDGKSG-UHFFFAOYSA-N 2 0 281.404 -0.124 20 0 CBADRP Cc1coc(CN2CC[NH2+]CCNCC[NH2+]CC2)n1 ZINC001235874116 825518819 /nfs/dbraw/zinc/51/88/19/825518819.db2.gz KVFQYYHPNQUKRP-UHFFFAOYSA-N 2 0 267.377 -0.433 20 0 CBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](CCC3C[NH2+]C3)C[C@H]1C2 ZINC001236025658 825520105 /nfs/dbraw/zinc/52/01/05/825520105.db2.gz VNLLHGJZMWNNNJ-CTASWTNQSA-N 3 0 293.411 -0.074 20 0 CBADRP [NH3+][C@@]12CC[C@H]1CN(Cc1cnc3n1CC[NH2+]CC3)C2 ZINC001235978403 825520146 /nfs/dbraw/zinc/52/01/46/825520146.db2.gz JCNXYLIOTXFVTL-SMDDNHRTSA-N 2 0 261.373 -0.048 20 0 CBADRP [NH3+][C@]12CC[C@H]1CN(Cc1cnc3n1CC[NH2+]CC3)C2 ZINC001235978394 825520233 /nfs/dbraw/zinc/52/02/33/825520233.db2.gz JCNXYLIOTXFVTL-FZMZJTMJSA-N 2 0 261.373 -0.048 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1C[C@@H]1CCC[N@H+](C)C1 ZINC001236195322 825522721 /nfs/dbraw/zinc/52/27/21/825522721.db2.gz HEXPIDZVCFKMBJ-UTUOFQBUSA-N 2 0 255.362 -0.097 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1C[C@H]1CCC[N@H+](C)C1 ZINC001236195312 825523529 /nfs/dbraw/zinc/52/35/29/825523529.db2.gz HEXPIDZVCFKMBJ-SRVKXCTJSA-N 2 0 255.362 -0.097 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cnc2n1CC[NH2+]CC2 ZINC001236196923 825524089 /nfs/dbraw/zinc/52/40/89/825524089.db2.gz NQCNHRYPYWHKGA-PWSUYJOCSA-N 2 0 293.371 -0.897 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236197283 825524099 /nfs/dbraw/zinc/52/40/99/825524099.db2.gz PZZBAAYNONSXSQ-GUBZILKMSA-N 2 0 257.334 -0.715 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1CC1CC[NH+](C)CC1 ZINC001236197562 825524429 /nfs/dbraw/zinc/52/44/29/825524429.db2.gz RWBSQLGNXHTTGK-NEPJUHHUSA-N 2 0 255.362 -0.097 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1CC1(C)CC[NH2+]CC1 ZINC001236197345 825524587 /nfs/dbraw/zinc/52/45/87/825524587.db2.gz QYNSAQHLPBDZKM-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CCNC(=O)c1cccc(CN2C[C@H]3C[NH2+]C[C@H]32)c1 ZINC001236290145 825525279 /nfs/dbraw/zinc/52/52/79/825525279.db2.gz JEHAOBDUNFEOOK-ZIAGYGMSSA-N 2 0 274.368 -0.221 20 0 CBADRP Nc1ncccc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236312666 825527121 /nfs/dbraw/zinc/52/71/21/825527121.db2.gz XFUVKBCTFDQBMV-UHFFFAOYSA-N 2 0 294.403 -0.720 20 0 CBADRP Nc1cnccc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310994 825527168 /nfs/dbraw/zinc/52/71/68/825527168.db2.gz OIHHXAKLFLTEMG-UHFFFAOYSA-N 2 0 294.403 -0.720 20 0 CBADRP COC(=O)[C@H]1CN(CC[C@H]2COC(C)(C)[NH2+]2)C[C@@H]1[NH3+] ZINC001236345814 825527904 /nfs/dbraw/zinc/52/79/04/825527904.db2.gz VARJVAQHQWXNAC-DCAQKATOSA-N 2 0 271.361 -0.467 20 0 CBADRP COC(=O)[C@H]1CN(C[C@@H]2C[NH2+]C(C)(C)O2)C[C@H]1[NH3+] ZINC001236341280 825528279 /nfs/dbraw/zinc/52/82/79/825528279.db2.gz KKOFOSGYMXSGBG-LPEHRKFASA-N 2 0 257.334 -0.857 20 0 CBADRP COC(=O)[C@@H]1CN(C[C@@H]2C[NH2+]C(C)(C)O2)C[C@@H]1[NH3+] ZINC001236341227 825528711 /nfs/dbraw/zinc/52/87/11/825528711.db2.gz KKOFOSGYMXSGBG-AEJSXWLSSA-N 2 0 257.334 -0.857 20 0 CBADRP COC(=O)[C@@H]1CN(CC[C@@H]2CCCC[NH2+]2)C[C@H]1[NH3+] ZINC001236346155 825529915 /nfs/dbraw/zinc/52/99/15/825529915.db2.gz WWXKWERVSFBFIV-QJPTWQEYSA-N 2 0 255.362 -0.049 20 0 CBADRP NCC[N@H+](CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236387156 825532564 /nfs/dbraw/zinc/53/25/64/825532564.db2.gz VFILQDFJZAUZQS-UHFFFAOYSA-N 2 0 284.448 -0.031 20 0 CBADRP Cn1cc(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(=O)n(C)c1=O ZINC001237405915 825534587 /nfs/dbraw/zinc/53/45/87/825534587.db2.gz SJBHSSGCEKAWBL-YPMHNXCESA-N 2 0 292.383 -0.342 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001237559834 825538072 /nfs/dbraw/zinc/53/80/72/825538072.db2.gz NZWRWXFLZRCBKU-SNVBAGLBSA-N 2 0 286.357 -0.477 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001238074599 825546816 /nfs/dbraw/zinc/54/68/16/825546816.db2.gz KROSJGHKVUXRJO-ZETCQYMHSA-N 2 0 257.306 -0.891 20 0 CBADRP C[C@@H]1CC[C@@H](CNS(=O)(=O)[C@H]2CC[NH2+]C2)[NH2+]C1 ZINC001238141945 825546497 /nfs/dbraw/zinc/54/64/97/825546497.db2.gz KOXZLCDHBMVLFQ-VWYCJHECSA-N 2 0 261.391 -0.344 20 0 CBADRP C[C@@H]1CC[C@@H](CNS(=O)(=O)[C@H]2CC[NH2+]C2)C[NH2+]1 ZINC001238069232 825546634 /nfs/dbraw/zinc/54/66/34/825546634.db2.gz XEPPJQQRPMHAOD-MXWKQRLJSA-N 2 0 261.391 -0.344 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNS(=O)(=O)C2CC[NH2+]CC2)C1 ZINC001238109939 825547185 /nfs/dbraw/zinc/54/71/85/825547185.db2.gz OMHBQSSJPHTAPI-GHMZBOCLSA-N 2 0 275.418 -0.097 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1CNS(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC001238164198 825548151 /nfs/dbraw/zinc/54/81/51/825548151.db2.gz JGAUXQGOSQPMNO-GARJFASQSA-N 2 0 261.391 -0.344 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC1(CO)CC[NH2+]CC1 ZINC001238156872 825548158 /nfs/dbraw/zinc/54/81/58/825548158.db2.gz JXPXWTLPRWJZMJ-UHFFFAOYSA-N 2 0 291.417 -0.980 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001238222595 825549763 /nfs/dbraw/zinc/54/97/63/825549763.db2.gz SOGYSPQVCFWJGP-SNVBAGLBSA-N 2 0 277.390 -0.977 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1CNS(=O)(=O)C1CC[NH2+]CC1 ZINC001238169568 825549912 /nfs/dbraw/zinc/54/99/12/825549912.db2.gz LGAFDTATEPCNEJ-WDEREUQCSA-N 2 0 275.418 -0.097 20 0 CBADRP O=S(=O)(NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1cn[nH]c1 ZINC001238242729 825550606 /nfs/dbraw/zinc/55/06/06/825550606.db2.gz QEUNWRJMDLPZGT-JTQLQIEISA-N 2 0 299.400 -0.438 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001238314462 825551225 /nfs/dbraw/zinc/55/12/25/825551225.db2.gz ZRMVQMOEIRRUEE-JGPRNRPPSA-N 2 0 259.375 -0.877 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@]1(F)CCC[NH2+]C1 ZINC001238272360 825551256 /nfs/dbraw/zinc/55/12/56/825551256.db2.gz RTRATYYPHZYEBG-LBPRGKRZSA-N 2 0 293.408 -0.003 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001238342089 825552424 /nfs/dbraw/zinc/55/24/24/825552424.db2.gz GDNBJIQEBGKZLI-QWRGUYRKSA-N 2 0 277.390 -0.977 20 0 CBADRP CC(C)(C)OC(=O)[C@H](CCC[NH3+])NS(=O)(=O)CC[NH3+] ZINC001238455054 825553270 /nfs/dbraw/zinc/55/32/70/825553270.db2.gz GRUAISUBFFIOLD-VIFPVBQESA-N 2 0 295.405 -0.686 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1C[C@@H]2C[NH2+]C[C@H]12 ZINC001238504495 825554601 /nfs/dbraw/zinc/55/46/01/825554601.db2.gz NNNOEAOGSHYCMF-GRYCIOLGSA-N 2 0 273.402 -0.487 20 0 CBADRP CCC1(NS(=O)(=O)CC2CC[NH2+]CC2)C[NH2+]C1 ZINC001238515411 825554724 /nfs/dbraw/zinc/55/47/24/825554724.db2.gz HRXBIUYWEKRXMM-UHFFFAOYSA-N 2 0 261.391 -0.343 20 0 CBADRP CO[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238481208 825555179 /nfs/dbraw/zinc/55/51/79/825555179.db2.gz BQBAAMQLSPGHLW-VXGBXAGGSA-N 2 0 291.417 -0.718 20 0 CBADRP C[C@@H]1C[C@@H](NS(=O)(=O)CC2CC[NH2+]CC2)C[NH2+]1 ZINC001238797816 825562600 /nfs/dbraw/zinc/56/26/00/825562600.db2.gz BJEDOHRVMLGSNP-MWLCHTKSSA-N 2 0 261.391 -0.344 20 0 CBADRP [NH3+]CCS(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001238759900 825563084 /nfs/dbraw/zinc/56/30/84/825563084.db2.gz DNGBSUKHPUEXOT-NKWVEPMBSA-N 2 0 275.296 -0.595 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001238748987 825563267 /nfs/dbraw/zinc/56/32/67/825563267.db2.gz ROEXPZDWKBDEOI-NEPJUHHUSA-N 2 0 284.385 -0.390 20 0 CBADRP [NH3+]CCS(=O)(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001238851898 825567970 /nfs/dbraw/zinc/56/79/70/825567970.db2.gz HJZYHZSJGAQGKF-UHFFFAOYSA-N 2 0 298.412 -0.419 20 0 CBADRP O=S(=O)(NC[C@@H]1CC[NH2+]C[C@@H]1F)C1CC[NH2+]CC1 ZINC001238891138 825570040 /nfs/dbraw/zinc/57/00/40/825570040.db2.gz JXGYJIMAKJDSTA-ONGXEEELSA-N 2 0 279.381 -0.395 20 0 CBADRP C[NH+](C)CC1CCC(NS(=O)(=O)CC[NH3+])CC1 ZINC001238911590 825571329 /nfs/dbraw/zinc/57/13/29/825571329.db2.gz UPYLKPUARQPHLK-UHFFFAOYSA-N 2 0 263.407 -0.015 20 0 CBADRP CC[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)C1C[NH2+]C1 ZINC001238912972 825571540 /nfs/dbraw/zinc/57/15/40/825571540.db2.gz QLPIMIHOLWDXBG-GFCCVEGCSA-N 2 0 275.418 -0.097 20 0 CBADRP [NH3+]C[C@]1(O)CCCN(S(=O)(=O)C2CC[NH2+]CC2)CC1 ZINC001238931679 825573829 /nfs/dbraw/zinc/57/38/29/825573829.db2.gz CWECQQYKFBPDPK-LBPRGKRZSA-N 2 0 291.417 -0.756 20 0 CBADRP [NH3+]C[C@@]1(F)CCCCN(S(=O)(=O)[C@@H]2CC[NH2+]C2)C1 ZINC001238967032 825578747 /nfs/dbraw/zinc/57/87/47/825578747.db2.gz BZRDUKHEMHZPKJ-MNOVXSKESA-N 2 0 279.381 -0.169 20 0 CBADRP [NH3+][C@H]1C[C@H](F)CN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001238978069 825580686 /nfs/dbraw/zinc/58/06/86/825580686.db2.gz ZHYSBWQEIXKDTQ-QWRGUYRKSA-N 2 0 279.381 -0.313 20 0 CBADRP [NH3+][C@H]1C[C@@H](F)CN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001238978068 825580771 /nfs/dbraw/zinc/58/07/71/825580771.db2.gz ZHYSBWQEIXKDTQ-MNOVXSKESA-N 2 0 279.381 -0.313 20 0 CBADRP [NH3+]C[C@H]1CCCCN(S(=O)(=O)[C@@H]2CC[NH2+]C2)C1 ZINC001238983864 825580968 /nfs/dbraw/zinc/58/09/68/825580968.db2.gz NCLIPEGENXFIKQ-GHMZBOCLSA-N 2 0 261.391 -0.261 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC001239023014 825583330 /nfs/dbraw/zinc/58/33/30/825583330.db2.gz LDIHEPLJZXGQMA-NWDGAFQWSA-N 2 0 273.402 -0.391 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCCC[C@]12CCC[NH2+]C2 ZINC001239045966 825583831 /nfs/dbraw/zinc/58/38/31/825583831.db2.gz KAENNJYXKROCFI-LLVKDONJSA-N 2 0 261.391 -0.117 20 0 CBADRP [NH3+][C@@]12C[C@@H]1CCN(S(=O)(=O)C1CC[NH2+]CC1)C2 ZINC001239046838 825584148 /nfs/dbraw/zinc/58/41/48/825584148.db2.gz ZATVTCZEESQUGL-GXSJLCMTSA-N 2 0 259.375 -0.509 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@H]2C[NH2+][C@H]2C1 ZINC001239044450 825584172 /nfs/dbraw/zinc/58/41/72/825584172.db2.gz KETTYKMOWMQLJW-RYUDHWBXSA-N 2 0 273.402 -0.391 20 0 CBADRP [NH3+][C@@H]1[C@H]2CN(S(=O)(=O)CC3CC[NH2+]CC3)C[C@H]21 ZINC001239048728 825584278 /nfs/dbraw/zinc/58/42/78/825584278.db2.gz NJJGYEPERPIHNZ-URLYPYJESA-N 2 0 259.375 -0.795 20 0 CBADRP COC(=O)CCN(CCC[NH+](C)C)S(=O)(=O)CC[NH3+] ZINC001239083662 825584984 /nfs/dbraw/zinc/58/49/84/825584984.db2.gz BAXJTVZBBSMNRX-UHFFFAOYSA-N 2 0 295.405 -0.908 20 0 CBADRP [NH3+]C[C@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001239088147 825586096 /nfs/dbraw/zinc/58/60/96/825586096.db2.gz PHLNEVZLYYXDFX-LLVKDONJSA-N 2 0 261.391 -0.404 20 0 CBADRP [NH3+][C@]12CC[C@H]1CN(S(=O)(=O)C1CC[NH2+]CC1)C2 ZINC001239104479 825587382 /nfs/dbraw/zinc/58/73/82/825587382.db2.gz DAMHRVMYKFHPOH-ONGXEEELSA-N 2 0 259.375 -0.509 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001239099217 825587771 /nfs/dbraw/zinc/58/77/71/825587771.db2.gz HVJRDFMHHCMOIS-CHWSQXEVSA-N 2 0 287.429 -0.143 20 0 CBADRP CCC[C@H]1CN(S(=O)(=O)[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001239119291 825589513 /nfs/dbraw/zinc/58/95/13/825589513.db2.gz UFCSXFOSXSNHLP-QWRGUYRKSA-N 2 0 261.391 -0.248 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2C[NH2+]C[C@@H]21 ZINC001239130927 825591806 /nfs/dbraw/zinc/59/18/06/825591806.db2.gz OSKMRSARSRCFJE-MNOVXSKESA-N 2 0 259.375 -0.781 20 0 CBADRP [NH3+]CCN(Cc1ccccc1)S(=O)(=O)CC[NH3+] ZINC001239153984 825595680 /nfs/dbraw/zinc/59/56/80/825595680.db2.gz VKYMJOVAWJONKS-UHFFFAOYSA-N 2 0 257.359 -0.264 20 0 CBADRP [NH3+]CCNC(=S)N1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001239405429 825602440 /nfs/dbraw/zinc/60/24/40/825602440.db2.gz CDWRWRFGZORHLU-ZETCQYMHSA-N 2 0 252.334 -0.265 20 0 CBADRP O[C@@H](C[NH2+]C[C@H]1CCC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245979439 825615920 /nfs/dbraw/zinc/61/59/20/825615920.db2.gz AENFCALYSAHVFQ-QWHCGFSZSA-N 3 0 271.405 -0.559 20 0 CBADRP O[C@@H](C[NH2+]C[C@@H]1CCC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245979430 825616957 /nfs/dbraw/zinc/61/69/57/825616957.db2.gz AENFCALYSAHVFQ-CHWSQXEVSA-N 3 0 271.405 -0.559 20 0 CBADRP CC(C)(C)OC(=O)[C@H](CCC[NH3+])NC[C@@]1(O)CC[NH2+]C1 ZINC001245982527 825617418 /nfs/dbraw/zinc/61/74/18/825617418.db2.gz FCISEMMBNCNLOK-SMDDNHRTSA-N 2 0 287.404 -0.250 20 0 CBADRP O[C@]1(CNC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC[NH2+]C1 ZINC001245983403 825617700 /nfs/dbraw/zinc/61/77/00/825617700.db2.gz GGYQZAGRYXJEBQ-GXTWGEPZSA-N 3 0 268.405 -0.825 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+]C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001245989287 825617776 /nfs/dbraw/zinc/61/77/76/825617776.db2.gz FQTJFTUDRYRXDA-BFHYXJOUSA-N 3 0 285.432 -0.313 20 0 CBADRP CCOC[C@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245985962 825618541 /nfs/dbraw/zinc/61/85/41/825618541.db2.gz NPJZMYPGZCNWEJ-CHWSQXEVSA-N 2 0 271.405 -0.152 20 0 CBADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@@H](O)CN2CCOCC2)C1 ZINC001245996601 825619249 /nfs/dbraw/zinc/61/92/49/825619249.db2.gz RRLMBQMBWPCNIM-YNEHKIRRSA-N 2 0 257.378 -0.461 20 0 CBADRP O[C@@]1(CNC2(C(F)(F)F)C[NH2+]C2)CCC[NH2+]C1 ZINC001245999356 825619852 /nfs/dbraw/zinc/61/98/52/825619852.db2.gz ZYKVQWWNQNVTAU-QMMMGPOBSA-N 2 0 253.268 -0.405 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@H](O)COc1ccccc1 ZINC001246006070 825620375 /nfs/dbraw/zinc/62/03/75/825620375.db2.gz GVIWBNZRSYQENK-OCCSQVGLSA-N 2 0 295.383 -0.001 20 0 CBADRP CCOC(=O)C1=C(NC[C@]2(O)CCC[NH2+]C2)C[NH2+]C1 ZINC001246008201 825620970 /nfs/dbraw/zinc/62/09/70/825620970.db2.gz CYFLNEZVGQCRON-ZDUSSCGKSA-N 2 0 269.345 -0.889 20 0 CBADRP CCOC(=O)C1=C(NCC2(O)CC[NH2+]CC2)C[NH2+]C1 ZINC001246010445 825621164 /nfs/dbraw/zinc/62/11/64/825621164.db2.gz MRISDCPWNIDVFD-UHFFFAOYSA-N 2 0 269.345 -0.889 20 0 CBADRP [NH3+]CC1(F)CC[NH+](C[C@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246019937 825622009 /nfs/dbraw/zinc/62/20/09/825622009.db2.gz BGODWIVCONMNPN-GFCCVEGCSA-N 3 0 289.395 -0.385 20 0 CBADRP [NH3+]C[C@]1(F)CCC[N@H+](C[C@@H](O)CN2CCOCC2)CC1 ZINC001246020396 825622836 /nfs/dbraw/zinc/62/28/36/825622836.db2.gz LATMQRUFGLBVOZ-KGLIPLIRSA-N 2 0 289.395 -0.168 20 0 CBADRP [NH3+]C[C@@]1(F)CCC[N@H+](C[C@@H](O)CN2CCOCC2)CC1 ZINC001246020398 825623267 /nfs/dbraw/zinc/62/32/67/825623267.db2.gz LATMQRUFGLBVOZ-ZIAGYGMSSA-N 2 0 289.395 -0.168 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246024606 825623613 /nfs/dbraw/zinc/62/36/13/825623613.db2.gz HXBCLRJTVDNNDL-ZIAGYGMSSA-N 2 0 270.421 -0.674 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246024690 825624155 /nfs/dbraw/zinc/62/41/55/825624155.db2.gz POJKIDZFVFXTOD-ILXRZTDVSA-N 2 0 284.448 -0.285 20 0 CBADRP [NH3+][C@@H]1C[C@H](F)CN(C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246024523 825624284 /nfs/dbraw/zinc/62/42/84/825624284.db2.gz UNWUQNUUQMUUHF-QJPTWQEYSA-N 2 0 275.368 -0.777 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CN1CCNC[C@@]12CC[NH2+]C2 ZINC001246024403 825624437 /nfs/dbraw/zinc/62/44/37/825624437.db2.gz FQHYGNJPOWMKPJ-KGLIPLIRSA-N 2 0 270.421 -0.674 20 0 CBADRP O[C@]1(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)CCC[NH2+]C1 ZINC001246021333 825624560 /nfs/dbraw/zinc/62/45/60/825624560.db2.gz GFTPAMSLKCHRBY-MELADBBJSA-N 2 0 268.405 -0.873 20 0 CBADRP CC(C)OC[C@H](O)C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246027927 825625536 /nfs/dbraw/zinc/62/55/36/825625536.db2.gz YXQPSVPBMUQPTM-CHWSQXEVSA-N 2 0 260.378 -0.052 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246028663 825627635 /nfs/dbraw/zinc/62/76/35/825627635.db2.gz UETUFSFWECEHSA-OCCSQVGLSA-N 2 0 270.421 -0.627 20 0 CBADRP [NH3+][C@@H]1CC[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CC[C@H]1F ZINC001246028259 825627722 /nfs/dbraw/zinc/62/77/22/825627722.db2.gz JFKXGOBXFMLTRT-JHJVBQTASA-N 3 0 289.395 -0.387 20 0 CBADRP [NH3+][C@@H]1CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)CC(F)(F)C1 ZINC001246029880 825627754 /nfs/dbraw/zinc/62/77/54/825627754.db2.gz MGNOCMVSAQXUAQ-QWRGUYRKSA-N 2 0 293.358 -0.480 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1C[C@H](O)C[NH2+]C(C)(C)C ZINC001246048809 825629299 /nfs/dbraw/zinc/62/92/99/825629299.db2.gz MIWAHHMLBAMZPM-MNOVXSKESA-N 2 0 273.377 -0.818 20 0 CBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246048173 825629468 /nfs/dbraw/zinc/62/94/68/825629468.db2.gz VTKBFFHXLBEEIY-KDBYPZKRSA-N 2 0 298.383 -0.676 20 0 CBADRP C[NH+](C)CCN(C[C@]1(O)CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001246057780 825629995 /nfs/dbraw/zinc/62/99/95/825629995.db2.gz HHMAXZHZHNAAPN-CABCVRRESA-N 3 0 284.448 -0.284 20 0 CBADRP CC(C)(C)[C@@H](O)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246055140 825630567 /nfs/dbraw/zinc/63/05/67/825630567.db2.gz KRLCGZBYQSMCOB-ZDUSSCGKSA-N 2 0 272.437 -0.522 20 0 CBADRP O[C@H](CN1CC[C@H]2[NH2+]CCC[C@H]2C1)CC1(O)CC[NH2+]CC1 ZINC001246062168 825631158 /nfs/dbraw/zinc/63/11/58/825631158.db2.gz XSWOTQQIECRSTK-SOUVJXGZSA-N 2 0 297.443 -0.074 20 0 CBADRP C[C@H]1CC[C@H](N[C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[NH2+]1 ZINC001246083150 825633168 /nfs/dbraw/zinc/63/31/68/825633168.db2.gz DTGBHNMVNFVONM-RVMXOQNASA-N 2 0 298.456 -0.020 20 0 CBADRP CC(=O)N1CC[C@@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C1 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GTLNXINTYJWILF-NWDGAFQWSA-N 2 0 254.378 -0.462 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CN1 ZINC001246098087 825635904 /nfs/dbraw/zinc/63/59/04/825635904.db2.gz JAKIQOQIRXVHRD-RYUDHWBXSA-N 2 0 255.362 -0.179 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2C)CN1 ZINC001246112985 825635977 /nfs/dbraw/zinc/63/59/77/825635977.db2.gz WBQJNVSWCSYFJS-KKOKHZNYSA-N 2 0 255.362 -0.275 20 0 CBADRP C[C@@H]1CC[C@H](NCCC(=O)N2CC[NH2+]CC2)C[NH2+]1 ZINC001246107170 825636130 /nfs/dbraw/zinc/63/61/30/825636130.db2.gz GTLNXINTYJWILF-NEPJUHHUSA-N 2 0 254.378 -0.462 20 0 CBADRP COC(=O)C1(C[NH2+]C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246097411 825636567 /nfs/dbraw/zinc/63/65/67/825636567.db2.gz OOGGHHCADJRYKN-UHFFFAOYSA-N 3 0 255.362 -0.129 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCN2CC[NH2+]CC2)CN1 ZINC001246115378 825636779 /nfs/dbraw/zinc/63/67/79/825636779.db2.gz SDORKPMVWNTKCL-KBPBESRZSA-N 2 0 298.431 -0.445 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CN1 ZINC001246098085 825636784 /nfs/dbraw/zinc/63/67/84/825636784.db2.gz JAKIQOQIRXVHRD-NEPJUHHUSA-N 2 0 255.362 -0.179 20 0 CBADRP CC[C@]1(C(=O)OC)C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)CN1 ZINC001246116317 825637281 /nfs/dbraw/zinc/63/72/81/825637281.db2.gz YUBCFRBDIKRFCD-UKRRQHHQSA-N 2 0 298.431 -0.445 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246116811 825637307 /nfs/dbraw/zinc/63/73/07/825637307.db2.gz XELHEMJEFRCCPO-FRRDWIJNSA-N 3 0 252.406 -0.084 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)O2)CN1 ZINC001246129404 825637395 /nfs/dbraw/zinc/63/73/95/825637395.db2.gz CRNGSJQDEIRVII-TUAOUCFPSA-N 2 0 283.372 -0.609 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001246127134 825637638 /nfs/dbraw/zinc/63/76/38/825637638.db2.gz KLNOFPHNFSLXBO-RYUDHWBXSA-N 3 0 266.389 -0.952 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246116813 825637728 /nfs/dbraw/zinc/63/77/28/825637728.db2.gz XELHEMJEFRCCPO-UPJWGTAASA-N 3 0 252.406 -0.084 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)O2)CN1 ZINC001246128435 825637886 /nfs/dbraw/zinc/63/78/86/825637886.db2.gz CPINJCUNMRPDHE-AGIUHOORSA-N 2 0 297.399 -0.219 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246131789 825638473 /nfs/dbraw/zinc/63/84/73/825638473.db2.gz KCUHQKJUZZFVLD-RXGFPQBGSA-N 2 0 283.372 -0.896 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)CN1 ZINC001246131583 825638552 /nfs/dbraw/zinc/63/85/52/825638552.db2.gz AEFGNDQEDRJRHL-DCAQKATOSA-N 2 0 253.346 -0.378 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CC2(CC[NH2+]CC2)O1 ZINC001246135469 825639034 /nfs/dbraw/zinc/63/90/34/825639034.db2.gz YJDUHTOLYYTHPD-QWHCGFSZSA-N 3 0 280.416 -0.419 20 0 CBADRP C1[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C12CC[NH2+]CC2 ZINC001246137922 825639058 /nfs/dbraw/zinc/63/90/58/825639058.db2.gz KJPZMUBELFIOLS-NEPJUHHUSA-N 3 0 250.390 -0.188 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(N[C@H]2CC[NH2+]C3(CCC3)C2)N1 ZINC001246140311 825640011 /nfs/dbraw/zinc/64/00/11/825640011.db2.gz AQXNFBPDHSFPAD-COPLHBTASA-N 2 0 264.373 -0.171 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)CN1 ZINC001246142018 825640454 /nfs/dbraw/zinc/64/04/54/825640454.db2.gz GQVQFEIGXCQAFH-KNZXXDILSA-N 2 0 253.346 -0.523 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)CN1 ZINC001246147289 825641130 /nfs/dbraw/zinc/64/11/30/825641130.db2.gz XJEIGEBYXKPDQQ-BNDIWNMDSA-N 2 0 267.373 -0.132 20 0 CBADRP O=S1(=O)CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C12C[NH2+]C2 ZINC001246146870 825641556 /nfs/dbraw/zinc/64/15/56/825641556.db2.gz OLMKHLORKDZPPO-AYLPWXGPSA-N 2 0 285.413 -0.612 20 0 CBADRP COC(=O)[C@@H]1C[C@H](NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CN1 ZINC001246145298 825641534 /nfs/dbraw/zinc/64/15/34/825641534.db2.gz MEDWIQIJWSWXFW-AGIUHOORSA-N 2 0 296.415 -0.646 20 0 CBADRP C[C@@H]1C[C@@H](N[C@]23CC[NH2+][C@H]2CC(=O)N3)C[C@H](C)[NH2+]1 ZINC001246147936 825641551 /nfs/dbraw/zinc/64/15/51/825641551.db2.gz MPMSYVDLTBKDFD-FBUUZDRASA-N 2 0 252.362 -0.317 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(N[C@H]2CSC3(C[NH2+]C3)C2)N1 ZINC001246152798 825642365 /nfs/dbraw/zinc/64/23/65/825642365.db2.gz QCLSLNHJJYHSPX-VDDIYKPWSA-N 2 0 268.386 -0.998 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)CN1 ZINC001246151087 825642693 /nfs/dbraw/zinc/64/26/93/825642693.db2.gz VZBBMKRTPOIVAJ-RXGFPQBGSA-N 2 0 283.372 -0.896 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)CN1 ZINC001246157157 825643153 /nfs/dbraw/zinc/64/31/53/825643153.db2.gz QUVUNLFDSVYREL-OSFYFWSMSA-N 2 0 297.399 -0.362 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)CN1 ZINC001246157160 825643450 /nfs/dbraw/zinc/64/34/50/825643450.db2.gz QUVUNLFDSVYREL-UKTARXLSSA-N 2 0 297.399 -0.362 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001246156719 825643649 /nfs/dbraw/zinc/64/36/49/825643649.db2.gz NPGJGUFEZPZJNO-YCPHGPKFSA-N 3 0 294.443 -0.171 20 0 CBADRP C[NH2+]C1CCC(N[C@]23CC[NH2+][C@H]2CC(=O)N3)CC1 ZINC001246154611 825643732 /nfs/dbraw/zinc/64/37/32/825643732.db2.gz VQSNNVCBFBEAJE-GVAFYICXSA-N 2 0 252.362 -0.315 20 0 CBADRP O=c1[nH][nH]cc1CCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246173252 825644263 /nfs/dbraw/zinc/64/42/63/825644263.db2.gz KRMUGLRAPMBNNA-MNOVXSKESA-N 2 0 265.361 -0.818 20 0 CBADRP C[C@@H]1C[C@@H](NCCC[NH+](CCO)CCO)CC[NH2+]1 ZINC001246163146 825644507 /nfs/dbraw/zinc/64/45/07/825644507.db2.gz WJBWGWNZIYWCTP-OLZOCXBDSA-N 2 0 259.394 -0.607 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2COC3(C2)CC[NH2+]CC3)CN1 ZINC001246166440 825644763 /nfs/dbraw/zinc/64/47/63/825644763.db2.gz AEXKASPZAFKHQA-WOPDTQHZSA-N 2 0 283.372 -0.609 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](C)CC2)CN1 ZINC001246182807 825646620 /nfs/dbraw/zinc/64/66/20/825646620.db2.gz AAEABULWUNIFQB-SRVKXCTJSA-N 2 0 255.362 -0.036 20 0 CBADRP COC(=O)CN1CCC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246185005 825646879 /nfs/dbraw/zinc/64/68/79/825646879.db2.gz QFRFRHKMLVUCKJ-ZDUSSCGKSA-N 2 0 296.415 -0.693 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C2CC3(CC([NH3+])C3)C2)CN1 ZINC001246186323 825648227 /nfs/dbraw/zinc/64/82/27/825648227.db2.gz ZYKWADDEGRIRAS-FVTPLPSFSA-N 2 0 253.346 -0.251 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CCOCCOCCOCCO)CC[NH2+]1 ZINC001246203748 825649498 /nfs/dbraw/zinc/64/94/98/825649498.db2.gz YHHWOQSKBLJNAS-UONOGXRCSA-N 2 0 290.404 -0.241 20 0 CBADRP CN1C[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCC1=O ZINC001246195977 825649581 /nfs/dbraw/zinc/64/95/81/825649581.db2.gz VPCRLDYDMZXUEN-GHMZBOCLSA-N 2 0 252.362 -0.709 20 0 CBADRP CCOC(=O)[C@H]1C[NH2+]CC[C@H]1NC1CC[NH2+]CC1 ZINC001246198168 825649998 /nfs/dbraw/zinc/64/99/98/825649998.db2.gz DIMWYSBNZPMTAI-NWDGAFQWSA-N 2 0 255.362 -0.131 20 0 CBADRP COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246212433 825650668 /nfs/dbraw/zinc/65/06/68/825650668.db2.gz LYXYXCNDCFJPQG-DCAQKATOSA-N 2 0 285.392 -0.479 20 0 CBADRP CC1(C)O[C@@H]2[C@@H](O)C[C@@H]([NH2+][C@H]3CCNC4(C[NH2+]C4)C3)[C@@H]2O1 ZINC001246219398 825651659 /nfs/dbraw/zinc/65/16/59/825651659.db2.gz YRORMUQAXHXMJZ-FPYNETTCSA-N 2 0 297.399 -0.677 20 0 CBADRP CO[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246217174 825651847 /nfs/dbraw/zinc/65/18/47/825651847.db2.gz FERHLAFLPDNKKI-IJLUTSLNSA-N 3 0 254.378 -0.953 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CN1 ZINC001246221223 825652642 /nfs/dbraw/zinc/65/26/42/825652642.db2.gz JPDSPQFTCPTUFQ-BJDJZHNGSA-N 2 0 273.352 -0.183 20 0 CBADRP CC(C)N1C[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246227646 825652968 /nfs/dbraw/zinc/65/29/68/825652968.db2.gz AXBXZVYIODBWBL-NWDGAFQWSA-N 2 0 266.389 -0.321 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@@H]1COCCC13OCCO3)CCN2 ZINC001246219994 825653177 /nfs/dbraw/zinc/65/31/77/825653177.db2.gz BUMCLWDEICUAEF-VXGBXAGGSA-N 2 0 283.372 -0.798 20 0 CBADRP CC(C)N1C[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246227656 825653223 /nfs/dbraw/zinc/65/32/23/825653223.db2.gz AXBXZVYIODBWBL-VXGBXAGGSA-N 2 0 266.389 -0.321 20 0 CBADRP FC1(F)CNCC[C@H]1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246225270 825653426 /nfs/dbraw/zinc/65/34/26/825653426.db2.gz BIHVPZHNWYLCJN-QWRGUYRKSA-N 2 0 274.359 -0.085 20 0 CBADRP [NH3+]CCN(c1cccnc1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246234469 825654284 /nfs/dbraw/zinc/65/42/84/825654284.db2.gz DMDFWMUKLCHAME-LBPRGKRZSA-N 2 0 261.373 -0.059 20 0 CBADRP CC(C)C[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246231110 825654613 /nfs/dbraw/zinc/65/46/13/825654613.db2.gz CEXKBHJCRNESRZ-QWRGUYRKSA-N 2 0 254.378 -0.430 20 0 CBADRP [NH3+][C@@H]1CCc2nn([C@@H]3CCNC4(C[NH2+]C4)C3)cc2C1 ZINC001246241214 825655200 /nfs/dbraw/zinc/65/52/00/825655200.db2.gz YHVTZPWOSJSZGU-VXGBXAGGSA-N 2 0 261.373 -0.034 20 0 CBADRP CC[NH+](CC)CCN(CC[NH3+])[C@H]1CN[C@H](C(=O)OC)C1 ZINC001246237479 825655614 /nfs/dbraw/zinc/65/56/14/825655614.db2.gz CBAKBHGUCONUSR-OLZOCXBDSA-N 2 0 286.420 -0.508 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CCOC3(CC[NH2+]CC3)C2)CN1 ZINC001246256015 825656446 /nfs/dbraw/zinc/65/64/46/825656446.db2.gz MSFUFCSLPITSNC-AVGNSLFASA-N 2 0 297.399 -0.219 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H](C)C2CC[NH2+]CC2)CN1 ZINC001246253583 825656482 /nfs/dbraw/zinc/65/64/82/825656482.db2.gz VFIMQNKMEWZCKS-WCQGTBRESA-N 2 0 255.362 -0.132 20 0 CBADRP O[C@@H](C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(F)(F)F ZINC001246256325 825656661 /nfs/dbraw/zinc/65/66/61/825656661.db2.gz OFPLYOXANPPFEE-YUMQZZPRSA-N 2 0 253.268 -0.407 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1CCOC3(CC[NH2+]CC3)C1)CCN2 ZINC001246258663 825656720 /nfs/dbraw/zinc/65/67/20/825656720.db2.gz XZUQGGPPIXJSHA-KBPBESRZSA-N 3 0 294.443 -0.029 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CO[C@]3(C2)CCC[NH2+]C3)CN1 ZINC001246256377 825656822 /nfs/dbraw/zinc/65/68/22/825656822.db2.gz PALIORWOTSSYAS-ABHRYQDASA-N 2 0 297.399 -0.219 20 0 CBADRP O=C1CCC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CN1 ZINC001246260989 825657903 /nfs/dbraw/zinc/65/79/03/825657903.db2.gz CHQVAHMSFAEXPD-QWRGUYRKSA-N 2 0 252.362 -0.661 20 0 CBADRP CC1(C)OC[C@@H](C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)O1 ZINC001246277993 825659387 /nfs/dbraw/zinc/65/93/87/825659387.db2.gz JDSSLHQIHFVSOT-WDEREUQCSA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@H]1CC[C@@H](NCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246288107 825660436 /nfs/dbraw/zinc/66/04/36/825660436.db2.gz LLEFHPYYMATPJR-UONOGXRCSA-N 2 0 289.420 -0.275 20 0 CBADRP C[C@@H]1CC[C@@H](NCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246288109 825660479 /nfs/dbraw/zinc/66/04/79/825660479.db2.gz LLEFHPYYMATPJR-ZIAGYGMSSA-N 2 0 289.420 -0.275 20 0 CBADRP O=C1CCNC[C@@H]1[NH2+]C1CCC2(CC1)C[NH2+]CCO2 ZINC001246288177 825660541 /nfs/dbraw/zinc/66/05/41/825660541.db2.gz HPUZOSZWSMFQQK-LXVYMNJGSA-N 2 0 267.373 -0.192 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246291971 825660973 /nfs/dbraw/zinc/66/09/73/825660973.db2.gz WKJQIQROZCIFTG-ZIAGYGMSSA-N 3 0 289.420 -0.275 20 0 CBADRP COCCC[NH+]1CCC(N[C@@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001246298312 825661590 /nfs/dbraw/zinc/66/15/90/825661590.db2.gz AGYUBWPRDHZNPF-TZMCWYRMSA-N 2 0 271.405 -0.343 20 0 CBADRP C(CN1CC2(COC2)C1)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246299173 825661878 /nfs/dbraw/zinc/66/18/78/825661878.db2.gz GITIAJFZEZNZNV-LBPRGKRZSA-N 2 0 266.389 -0.998 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@@H]1NC1CCC2(CC1)C[NH2+]CCO2 ZINC001246300505 825662258 /nfs/dbraw/zinc/66/22/58/825662258.db2.gz RXSMIKNGWODAQI-AHPWVWPOSA-N 2 0 269.389 -0.543 20 0 CBADRP COCCC[NH+]1CCC(N[C@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001246298310 825662575 /nfs/dbraw/zinc/66/25/75/825662575.db2.gz AGYUBWPRDHZNPF-OCCSQVGLSA-N 2 0 271.405 -0.343 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246330785 825664258 /nfs/dbraw/zinc/66/42/58/825664258.db2.gz UWOXSQAOZWVUKK-KKOKHZNYSA-N 2 0 255.362 -0.132 20 0 CBADRP CN(C)C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246327911 825664385 /nfs/dbraw/zinc/66/43/85/825664385.db2.gz KDDYESRWFSEZGJ-CHWSQXEVSA-N 2 0 295.431 -0.184 20 0 CBADRP CN(C)C(=O)N1CCC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246327912 825664843 /nfs/dbraw/zinc/66/48/43/825664843.db2.gz KDDYESRWFSEZGJ-OLZOCXBDSA-N 2 0 295.431 -0.184 20 0 CBADRP CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246337292 825665080 /nfs/dbraw/zinc/66/50/80/825665080.db2.gz UEABIDPSVOJNIH-CMPLNLGQSA-N 2 0 254.378 -0.558 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CSCCN1 ZINC001246335242 825665945 /nfs/dbraw/zinc/66/59/45/825665945.db2.gz HFZCEKAVKFAGDE-GHMZBOCLSA-N 2 0 256.419 -0.625 20 0 CBADRP CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246337294 825665984 /nfs/dbraw/zinc/66/59/84/825665984.db2.gz UEABIDPSVOJNIH-PWSUYJOCSA-N 2 0 254.378 -0.558 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@H]1CCC[C@@H]1N1CCOCC1)CCN2 ZINC001246338139 825667290 /nfs/dbraw/zinc/66/72/90/825667290.db2.gz XJQNBFLIDCAOMQ-ILXRZTDVSA-N 2 0 294.443 -0.077 20 0 CBADRP CSCC[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246348516 825667358 /nfs/dbraw/zinc/66/73/58/825667358.db2.gz HYOSVQAWDACSFR-ZJUUUORDSA-N 2 0 272.418 -0.723 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCSCC[NH3+])CN1 ZINC001246340058 825667375 /nfs/dbraw/zinc/66/73/75/825667375.db2.gz SRYYLMWIEANVRI-UWVGGRQHSA-N 2 0 261.391 -0.439 20 0 CBADRP O=C(C1CC1)N1CC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246354667 825668246 /nfs/dbraw/zinc/66/82/46/825668246.db2.gz YJPYVAPIBQDNQI-STQMWFEESA-N 2 0 278.400 -0.319 20 0 CBADRP COC(=O)[C@@H]1C[C@H]1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246352816 825668311 /nfs/dbraw/zinc/66/83/11/825668311.db2.gz ZQWBFTUTZWVZAM-GARJFASQSA-N 2 0 253.346 -0.521 20 0 CBADRP COC(=O)N1CCC([NH2+]CCCC[C@H]([NH3+])C(N)=O)CC1 ZINC001246403625 825670005 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O=C1C[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCCN1 ZINC001246461485 825674718 /nfs/dbraw/zinc/67/47/18/825674718.db2.gz JSXWKAAPVKAILO-QWRGUYRKSA-N 2 0 252.362 -0.661 20 0 CBADRP [NH3+]CCCC[NH2+]CCC[NH2+]C1C[C@@H]2COC[C@H](C1)N2 ZINC001246455535 825675055 /nfs/dbraw/zinc/67/50/55/825675055.db2.gz GLYLXMLDPRWUNJ-AGUYFDCRSA-N 3 0 270.421 -0.186 20 0 CBADRP CCOC(=O)C1(N[C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246466431 825676453 /nfs/dbraw/zinc/67/64/53/825676453.db2.gz QPVZLMWBXLZGQA-LBPRGKRZSA-N 2 0 296.415 -0.645 20 0 CBADRP COC(=O)[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC001246498463 825677535 /nfs/dbraw/zinc/67/75/35/825677535.db2.gz RPBLJGWWIVTLSW-DDHJBXDOSA-N 2 0 255.362 -0.132 20 0 CBADRP COC(=O)[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC001246497928 825677570 /nfs/dbraw/zinc/67/75/70/825677570.db2.gz OZVQMXRCBWGMAP-DDHJBXDOSA-N 2 0 255.362 -0.132 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001246513211 825678596 /nfs/dbraw/zinc/67/85/96/825678596.db2.gz QVQUOVNGYBEYNM-ZJUUUORDSA-N 2 0 277.390 -0.993 20 0 CBADRP CC[C@H]([NH2+][C@@H]1CC[C@@H](C(=O)OC)NC1)C1C[NH2+]C1 ZINC001246519631 825679469 /nfs/dbraw/zinc/67/94/69/825679469.db2.gz SWUIWFPGVLYJAS-WOPDTQHZSA-N 2 0 255.362 -0.132 20 0 CBADRP CC(=O)NC1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246522250 825679530 /nfs/dbraw/zinc/67/95/30/825679530.db2.gz AQWVJBPRPKNYIU-ZDUSSCGKSA-N 2 0 266.389 -0.319 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246521157 825679647 /nfs/dbraw/zinc/67/96/47/825679647.db2.gz WVFPQIRUSNQFOO-QWRGUYRKSA-N 2 0 252.362 -0.722 20 0 CBADRP O=C1CC2(CN1)CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246523561 825679722 /nfs/dbraw/zinc/67/97/22/825679722.db2.gz NUICUPYEOGCFIG-LBPRGKRZSA-N 2 0 278.400 -0.318 20 0 CBADRP [NH3+]CCCC[C@H]([NH2+][C@H]1CNC(=O)C1)C(=O)N1CCCC1 ZINC001246518609 825679964 /nfs/dbraw/zinc/67/99/64/825679964.db2.gz IHFXVVVYBMRZFV-NEPJUHHUSA-N 2 0 282.388 -0.416 20 0 CBADRP CC(C)[C@@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C1C[NH2+]C1 ZINC001246520074 825680062 /nfs/dbraw/zinc/68/00/62/825680062.db2.gz UVKNNFLATIHVDE-CHWSQXEVSA-N 3 0 252.406 -0.086 20 0 CBADRP CNC(=O)C1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246524272 825680148 /nfs/dbraw/zinc/68/01/48/825680148.db2.gz HADCYZFPBQYKMQ-LBPRGKRZSA-N 2 0 266.389 -0.462 20 0 CBADRP c1cnc(N2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)nc1 ZINC001246531522 825681960 /nfs/dbraw/zinc/68/19/60/825681960.db2.gz ULHNCWZXZXAJNL-ZDUSSCGKSA-N 2 0 288.399 -0.307 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)CN1 ZINC001246546987 825682734 /nfs/dbraw/zinc/68/27/34/825682734.db2.gz BPSKRAGGZBKEGZ-OBJOEFQTSA-N 2 0 285.388 -0.544 20 0 CBADRP CCOC(=O)CN1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246540861 825682793 /nfs/dbraw/zinc/68/27/93/825682793.db2.gz UBBYTNGLAIEKOY-ZDUSSCGKSA-N 2 0 296.415 -0.739 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)CN1 ZINC001246542515 825682969 /nfs/dbraw/zinc/68/29/69/825682969.db2.gz PTPLAGLHOMIFDL-USZNOCQGSA-N 2 0 255.362 -0.193 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC(C[NH3+])CC2)CN1 ZINC001246537309 825683007 /nfs/dbraw/zinc/68/30/07/825683007.db2.gz INWHIYRGIFZRNL-NEPJUHHUSA-N 2 0 255.362 -0.049 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)CN1 ZINC001246544446 825683251 /nfs/dbraw/zinc/68/32/51/825683251.db2.gz WCDXANIOMUNCEI-JCIQBVFBSA-N 2 0 253.346 -0.584 20 0 CBADRP C[C@@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1C[NH3+] ZINC001246551953 825684268 /nfs/dbraw/zinc/68/42/68/825684268.db2.gz MVBAHGDNOZVYEP-AGIUHOORSA-N 3 0 252.406 -0.003 20 0 CBADRP CC[C@]1(C(=O)OC)C[C@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)CN1 ZINC001246556444 825684564 /nfs/dbraw/zinc/68/45/64/825684564.db2.gz ZYWUUDSYMPUJAO-NWANDNLSSA-N 2 0 299.415 -0.154 20 0 CBADRP CO[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1OC ZINC001246553775 825684825 /nfs/dbraw/zinc/68/48/25/825684825.db2.gz UOIBYLXYCORYFC-UTUOFQBUSA-N 2 0 255.362 -0.574 20 0 CBADRP [NH3+]C[C@@]1(O)CCCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246557443 825685199 /nfs/dbraw/zinc/68/51/99/825685199.db2.gz INEBBMLQPDSPFG-OCCSQVGLSA-N 3 0 268.405 -0.744 20 0 CBADRP CC[C@]1(C(=O)OC)C[C@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)CN1 ZINC001246556442 825685231 /nfs/dbraw/zinc/68/52/31/825685231.db2.gz ZYWUUDSYMPUJAO-AEGPPILISA-N 2 0 299.415 -0.154 20 0 CBADRP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3ncccn3)CC2)C[C@H]1O ZINC001246557786 825686230 /nfs/dbraw/zinc/68/62/30/825686230.db2.gz HVFFKIBRTSGREW-CHWSQXEVSA-N 2 0 277.372 -0.161 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)CN1 ZINC001246558547 825686363 /nfs/dbraw/zinc/68/63/63/825686363.db2.gz MDGHYMBWSCEIKO-SGMGOOAPSA-N 2 0 285.388 -0.544 20 0 CBADRP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCN3C(=O)CC[C@@H]3C2)C[C@H]1O ZINC001246569636 825687576 /nfs/dbraw/zinc/68/75/76/825687576.db2.gz RGZRSWAFOPZGIR-DDHJBXDOSA-N 2 0 253.346 -0.466 20 0 CBADRP C[C@@H]1CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@H]1[NH3+] ZINC001246567279 825687827 /nfs/dbraw/zinc/68/78/27/825687827.db2.gz MGXKTZILYGSAKD-KXNHARMFSA-N 2 0 284.429 -0.471 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+](C2CCN(c3ncccn3)CC2)C[C@@H]1O ZINC001246578730 825689086 /nfs/dbraw/zinc/68/90/86/825689086.db2.gz HQUJHBGGOIMNBY-AAEUAGOBSA-N 2 0 277.372 -0.303 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+](C2CCC3(CC2)C[NH2+]CCO3)C[C@@H]1O ZINC001246579562 825689223 /nfs/dbraw/zinc/68/92/23/825689223.db2.gz JWQKBSDQXHRNJC-AHPWVWPOSA-N 3 0 269.389 -0.461 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCC[C@@H](n3ncnn3)C2)C[C@@H]1O ZINC001246585194 825690058 /nfs/dbraw/zinc/69/00/58/825690058.db2.gz OVOADNQPNRZOBA-QCNOEVLYSA-N 2 0 266.349 -0.592 20 0 CBADRP CCN(CC)C(=O)C[C@H](C)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246586194 825690300 /nfs/dbraw/zinc/69/03/00/825690300.db2.gz RMOLEUWBMQXPBJ-SRVKXCTJSA-N 2 0 257.378 -0.115 20 0 CBADRP COC(=O)C1C[C@@H]2CC(N3C[C@@H](O)[C@@H](C[NH3+])C3)C[C@H](C1)[NH2+]2 ZINC001246588543 825691048 /nfs/dbraw/zinc/69/10/48/825691048.db2.gz WNQXJWCVVQNZRF-OOJLBHAVSA-N 2 0 297.399 -0.690 20 0 CBADRP CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246585171 825691116 /nfs/dbraw/zinc/69/11/16/825691116.db2.gz NETQMOQDPJUOGV-NNYUYHANSA-N 2 0 256.346 -0.030 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C)N1[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246586899 825691123 /nfs/dbraw/zinc/69/11/23/825691123.db2.gz PUZIAFFZFVTGJU-XQHKEYJVSA-N 2 0 298.456 -0.068 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCN3C(=O)CC[C@@H]3C2)C[C@@H]1O ZINC001246583165 825691238 /nfs/dbraw/zinc/69/12/38/825691238.db2.gz ILHKFOFJUJUYTE-QCNOEVLYSA-N 2 0 253.346 -0.609 20 0 CBADRP CCOC(=O)[C@H]1CC[C@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246585163 825691515 /nfs/dbraw/zinc/69/15/15/825691515.db2.gz NETQMOQDPJUOGV-FIQHERPVSA-N 2 0 256.346 -0.030 20 0 CBADRP CCOC(=O)C1=C(O)CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246590797 825692435 /nfs/dbraw/zinc/69/24/35/825692435.db2.gz AGMRMPVFEJKYDV-VXGBXAGGSA-N 2 0 295.383 -0.466 20 0 CBADRP C[C@]1(CO)C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1O ZINC001246593168 825692972 /nfs/dbraw/zinc/69/29/72/825692972.db2.gz RNDQGSMUMOSJAP-RWMBFGLXSA-N 2 0 269.389 -0.854 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCNC3(CC[NH2+]CC3)C1)CS2 ZINC001246600375 825693703 /nfs/dbraw/zinc/69/37/03/825693703.db2.gz GGAIJXQDZKKZDQ-GFCCVEGCSA-N 3 0 282.457 -0.139 20 0 CBADRP C1C[NH2+]C[C@@H](N2CCOC[C@]3(C[NH2+]CCO3)C2)C1 ZINC001246603047 825693911 /nfs/dbraw/zinc/69/39/11/825693911.db2.gz LYMGSETVTBUSTE-STQMWFEESA-N 2 0 255.362 -0.571 20 0 CBADRP C[C@@H]1C[C@H](N2CCOC[C@@]3(C[NH2+]CCO3)C2)CC[NH2+]1 ZINC001246598509 825694053 /nfs/dbraw/zinc/69/40/53/825694053.db2.gz AUMFCLWQHOAAMR-MGPQQGTHSA-N 2 0 269.389 -0.182 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CC3(C1)CCC[NH2+]C3)CCN2 ZINC001246602721 825694360 /nfs/dbraw/zinc/69/43/60/825694360.db2.gz CIEXTAURJJPLAQ-GFCCVEGCSA-N 2 0 250.390 -0.234 20 0 CBADRP CCOC(=O)[C@H]1C[NH2+]CCN1[C@H]1CCCC[NH2+]C1 ZINC001246598817 825694368 /nfs/dbraw/zinc/69/43/68/825694368.db2.gz ORBLNFIUXKUMSK-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP C1C[C@]2(CCC[NH2+]C2)N1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246599429 825694419 /nfs/dbraw/zinc/69/44/19/825694419.db2.gz CQPJYYDACLGGIC-OCCSQVGLSA-N 3 0 250.390 -0.092 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CC2)C[NH2+]CCO3)CN1 ZINC001246600334 825694483 /nfs/dbraw/zinc/69/44/83/825694483.db2.gz GDHUANUZIDZRMQ-STQMWFEESA-N 2 0 297.399 -0.266 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246600683 825694491 /nfs/dbraw/zinc/69/44/91/825694491.db2.gz RJMDHZRTZONOAK-TUAOUCFPSA-N 2 0 255.362 -0.036 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCO[C@]3(CCOC3)C1)CCN2 ZINC001246612615 825694995 /nfs/dbraw/zinc/69/49/95/825694995.db2.gz BFIPDTZMBPSCSJ-GXTWGEPZSA-N 2 0 267.373 -0.428 20 0 CBADRP C1C[C@@]2(CCCN([C@@H]3CCNC4(C[NH2+]C4)C3)C2)[NH2+]1 ZINC001246613903 825695156 /nfs/dbraw/zinc/69/51/56/825695156.db2.gz RNKSAFXCYZBCQX-CHWSQXEVSA-N 2 0 250.390 -0.092 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCO[C@@]3(CCOC3)C1)CCN2 ZINC001246612617 825695173 /nfs/dbraw/zinc/69/51/73/825695173.db2.gz BFIPDTZMBPSCSJ-OCCSQVGLSA-N 2 0 267.373 -0.428 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCN[C@H]3CC[NH2+]CC[C@@H]31)CS2 ZINC001246618114 825695442 /nfs/dbraw/zinc/69/54/42/825695442.db2.gz KDAZPJZDCGBAIO-AVGNSLFASA-N 3 0 282.457 -0.140 20 0 CBADRP C1CO[C@]2(C[NH2+]1)COCCN(C1CC[NH2+]CC1)C2 ZINC001246607956 825695628 /nfs/dbraw/zinc/69/56/28/825695628.db2.gz UVMKNUYWQYSECZ-ZDUSSCGKSA-N 2 0 255.362 -0.571 20 0 CBADRP C1C[C@]2(C[NH2+]1)CNCCN2[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246625854 825696296 /nfs/dbraw/zinc/69/62/96/825696296.db2.gz QFELOTOAVPKQLW-DGAVXFQQSA-N 2 0 250.390 -0.093 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@H]3C[NH2+]CC[C@H]31)CCN2 ZINC001246625094 825696768 /nfs/dbraw/zinc/69/67/68/825696768.db2.gz QZJZMKZCSAZWJZ-RWMBFGLXSA-N 3 0 250.390 -0.236 20 0 CBADRP [NH3+]CC1(F)CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246624946 825696996 /nfs/dbraw/zinc/69/69/96/825696996.db2.gz GPXHCSVZOGTEGR-NSHDSACASA-N 3 0 256.369 -0.157 20 0 CBADRP O=C1CN([C@@H]2CCC[NH2+]C2)CC2(CC[NH2+]CC2)N1 ZINC001246630557 825698297 /nfs/dbraw/zinc/69/82/97/825698297.db2.gz SQGQPWBIJGZUPJ-LLVKDONJSA-N 2 0 252.362 -0.708 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH+]2CC3(C2)CC[NH2+]CC3)CN1 ZINC001246635771 825699624 /nfs/dbraw/zinc/69/96/24/825699624.db2.gz AGJOMGAUUDCWKN-RYUDHWBXSA-N 2 0 267.373 -0.035 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH+]2CC3(C2)CC[NH2+]CC3)CN1 ZINC001246635769 825699884 /nfs/dbraw/zinc/69/98/84/825699884.db2.gz AGJOMGAUUDCWKN-NEPJUHHUSA-N 2 0 267.373 -0.035 20 0 CBADRP C1CC2(CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)[NH2+]1 ZINC001246650346 825701976 /nfs/dbraw/zinc/70/19/76/825701976.db2.gz TZIWXQJTRPZPLX-LBPRGKRZSA-N 2 0 250.390 -0.092 20 0 CBADRP O=C1CCC[C@@]2(C[NH2+]CCN([C@@H]3CCC[NH2+]C3)C2)N1 ZINC001246650478 825702226 /nfs/dbraw/zinc/70/22/26/825702226.db2.gz IPJLSLYVZQSMNX-OCCSQVGLSA-N 2 0 266.389 -0.318 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CC[C@@H]3C[NH2+]C[C@H]3C1)CCN2 ZINC001246645894 825702942 /nfs/dbraw/zinc/70/29/42/825702942.db2.gz CZVGFPIHUDYZDI-AGIUHOORSA-N 2 0 250.390 -0.378 20 0 CBADRP c1nc2n(n1)C1(CC[NH2+]CC1)CN(C1CC[NH2+]CC1)C2 ZINC001246648378 825702986 /nfs/dbraw/zinc/70/29/86/825702986.db2.gz WYVIVEBTIMFBCA-UHFFFAOYSA-N 2 0 276.388 -0.076 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCOC[C@@]3(CCC[NH2+]C3)C1)CCN2 ZINC001246645376 825703012 /nfs/dbraw/zinc/70/30/12/825703012.db2.gz KOSVQMLBVASUNC-LSDHHAIUSA-N 3 0 294.443 -0.218 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CCO[C@H]3C[NH2+]CC[C@@H]31)CCN2 ZINC001246661542 825703874 /nfs/dbraw/zinc/70/38/74/825703874.db2.gz GAACQINNFGWNLS-AVGNSLFASA-N 2 0 266.389 -0.857 20 0 CBADRP OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@H+]2[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246662029 825704113 /nfs/dbraw/zinc/70/41/13/825704113.db2.gz VGTCZIKUTNKBRM-DGAVXFQQSA-N 2 0 281.400 -0.448 20 0 CBADRP [NH3+][C@@]12C[C@@H]1CCN([C@@H]1C[NH2+][C@H](C(=O)N3CCSC3)C1)C2 ZINC001246661243 825704358 /nfs/dbraw/zinc/70/43/58/825704358.db2.gz UTTOOQSRGCYNLW-ZJQBRPOHSA-N 2 0 296.440 -0.327 20 0 CBADRP CN([C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001246678328 825706433 /nfs/dbraw/zinc/70/64/33/825706433.db2.gz LUEDCGWLYZSSRE-AGIUHOORSA-N 2 0 298.456 -0.066 20 0 CBADRP O=C1NCC[C@@]12CCC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246703009 825707569 /nfs/dbraw/zinc/70/75/69/825707569.db2.gz HHHMVAKESYIYOM-GXTWGEPZSA-N 2 0 278.400 -0.318 20 0 CBADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246697476 825707597 /nfs/dbraw/zinc/70/75/97/825707597.db2.gz ARIIIPCJNCXUDA-HZSPNIEDSA-N 3 0 264.417 -0.036 20 0 CBADRP CC[C@H]1C[NH2+]CCN1[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246796384 825711775 /nfs/dbraw/zinc/71/17/75/825711775.db2.gz AHESQZNLCORYRL-XQQFMLRXSA-N 2 0 298.456 -0.066 20 0 CBADRP CN(C)C(=O)C1C[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246797126 825712182 /nfs/dbraw/zinc/71/21/82/825712182.db2.gz LTQQMMRJHKMIAF-LLVKDONJSA-N 2 0 252.362 -0.900 20 0 CBADRP COC(=O)CC1C[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246799284 825713023 /nfs/dbraw/zinc/71/30/23/825713023.db2.gz XQLKXIYHJZFTGN-NSHDSACASA-N 2 0 253.346 -0.425 20 0 CBADRP O=c1[nH]c(=O)c2c([nH]1)CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246818448 825714921 /nfs/dbraw/zinc/71/49/21/825714921.db2.gz CYBPGFANGFEMDX-VIFPVBQESA-N 2 0 291.355 -0.660 20 0 CBADRP COC(=O)C[C@@H]1C[NH2+]CCN1[C@@H]1CCCC[NH2+]C1 ZINC001246812429 825714984 /nfs/dbraw/zinc/71/49/84/825714984.db2.gz CXTDOLYBSDPDNS-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP COCCCN1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246817871 825715349 /nfs/dbraw/zinc/71/53/49/825715349.db2.gz NNVIDZCBHOHEGM-CQSZACIVSA-N 2 0 282.432 -0.266 20 0 CBADRP COC(=O)[C@@H]1C[C@H](N2CC([N@H+](C)[C@H]3CCOC3)C2)CN1 ZINC001246819790 825715740 /nfs/dbraw/zinc/71/57/40/825715740.db2.gz JSLAAOIWDRGQCF-GVXVVHGQSA-N 2 0 283.372 -0.705 20 0 CBADRP C[C@@H]1C[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)CC[NH2+]1 ZINC001246819060 825715791 /nfs/dbraw/zinc/71/57/91/825715791.db2.gz FVHABXOOGAAGOF-KGLIPLIRSA-N 3 0 269.437 -0.789 20 0 CBADRP CN(C1C[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)C1)[C@H]1CCOC1 ZINC001246820814 825715867 /nfs/dbraw/zinc/71/58/67/825715867.db2.gz QITMQBFVSDUILR-STQMWFEESA-N 2 0 280.416 -0.515 20 0 CBADRP CCOC(=O)N1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246818989 825715999 /nfs/dbraw/zinc/71/59/99/825715999.db2.gz FIGDINDCIVWQEP-GFCCVEGCSA-N 2 0 282.388 -0.146 20 0 CBADRP C1C[NH+]2CCC1C[C@@H](N1CC[NH2+]CCNCC[NH2+]CC1)C2 ZINC001246820632 825716263 /nfs/dbraw/zinc/71/62/63/825716263.db2.gz KLZIPDPFIUKDFM-MRXNPFEDSA-N 3 0 295.475 -0.445 20 0 CBADRP CN(C1COC1)C1C[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246820753 825716457 /nfs/dbraw/zinc/71/64/57/825716457.db2.gz JZGFVHUJONYFLB-NSHDSACASA-N 2 0 266.389 -0.905 20 0 CBADRP C1[NH2+]CC12CCC([NH+]1CCNCC[NH2+]CCNCC1)CC2 ZINC001246819076 825716499 /nfs/dbraw/zinc/71/64/99/825716499.db2.gz GHJVZLFDDUKDFR-UHFFFAOYSA-N 3 0 295.475 -0.397 20 0 CBADRP COC(=O)CC[C@@H](C)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246824521 825717447 /nfs/dbraw/zinc/71/74/47/825717447.db2.gz YQASBZRDGJJLQD-CYBMUJFWSA-N 2 0 286.420 -0.588 20 0 CBADRP CCC[NH+]1CCC(N2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001246822848 825717524 /nfs/dbraw/zinc/71/75/24/825717524.db2.gz SXYUSHDNUYDKFS-UHFFFAOYSA-N 3 0 297.491 -0.055 20 0 CBADRP CCN1CC[C@@H]([NH+]2CCNCC[NH2+]CCNCC2)CC1=O ZINC001246824933 825717641 /nfs/dbraw/zinc/71/76/41/825717641.db2.gz ZSWPQTZIQKWQLJ-CQSZACIVSA-N 2 0 297.447 -0.918 20 0 CBADRP C[C@@H]1CC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)C[NH2+]1 ZINC001246824942 825717980 /nfs/dbraw/zinc/71/79/80/825717980.db2.gz ZXOYSULOVBPVLR-KGLIPLIRSA-N 3 0 269.437 -0.789 20 0 CBADRP O=C1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@H]2CCCN12 ZINC001246838580 825718480 /nfs/dbraw/zinc/71/84/80/825718480.db2.gz YMOLTIDMXCKVBM-NWDGAFQWSA-N 2 0 264.373 -0.613 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCCC3(C1)OCCO3)CCN2 ZINC001246838732 825718586 /nfs/dbraw/zinc/71/85/86/825718586.db2.gz FJQOVCYWDVLMMA-LBPRGKRZSA-N 2 0 267.373 -0.081 20 0 CBADRP CN1CC[C@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246840778 825720017 /nfs/dbraw/zinc/72/00/17/825720017.db2.gz KMGVVVWVKSCKQS-YNEHKIRRSA-N 2 0 250.390 -0.284 20 0 CBADRP CCN([C@H]1CC[NH2+]C1)[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246850846 825719901 /nfs/dbraw/zinc/71/99/01/825719901.db2.gz LJYOICDRLCIURJ-AVGNSLFASA-N 2 0 298.456 -0.066 20 0 CBADRP [NH3+][C@@H]1[C@@H]2CC[C@H]1CN([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246842386 825720267 /nfs/dbraw/zinc/72/02/67/825720267.db2.gz QPCSFAFXCYUNBX-YVECIDJPSA-N 2 0 250.390 -0.251 20 0 CBADRP O=C1NC[C@@H]2CC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]12 ZINC001246847806 825720886 /nfs/dbraw/zinc/72/08/86/825720886.db2.gz SPYXDHKXLWXUJY-SRVKXCTJSA-N 2 0 264.373 -0.852 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@H+]1C[C@H]3C[NH2+]CC[C@@H]3C1)CCN2 ZINC001246842150 825721587 /nfs/dbraw/zinc/72/15/87/825721587.db2.gz BIMBHONEKXFSSB-JHJVBQTASA-N 3 0 250.390 -0.378 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246864249 825723920 /nfs/dbraw/zinc/72/39/20/825723920.db2.gz SFQUJHFLBCOPSB-OLZOCXBDSA-N 2 0 268.405 -0.657 20 0 CBADRP [NH3+][C@]12C[C@H]1CN([C@@H]1C[NH2+][C@H](C(=O)N3CCSC3)C1)C2 ZINC001246864804 825723946 /nfs/dbraw/zinc/72/39/46/825723946.db2.gz ATRQZCXVIJEUIZ-ZPFDUUQYSA-N 2 0 282.413 -0.717 20 0 CBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@H]3CC[NH2+]C3)C[C@H]1C2 ZINC001246860071 825724276 /nfs/dbraw/zinc/72/42/76/825724276.db2.gz SCRIQJFAYMESKT-KDBYPZKRSA-N 3 0 279.384 -0.321 20 0 CBADRP COC(=O)[C@H](N)C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001246861756 825724381 /nfs/dbraw/zinc/72/43/81/825724381.db2.gz DGLHXTXOTJIPAJ-GFCCVEGCSA-N 2 0 255.362 -0.049 20 0 CBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@@H]3CC[NH2+]C3)C[C@H]1C2 ZINC001246860072 825724460 /nfs/dbraw/zinc/72/44/60/825724460.db2.gz SCRIQJFAYMESKT-VVSAWPALSA-N 3 0 279.384 -0.321 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([N@H+](C)CCN2CC[NH2+]CC2)CN1 ZINC001246869157 825725231 /nfs/dbraw/zinc/72/52/31/825725231.db2.gz FKKMONKEHTVIDD-STQMWFEESA-N 2 0 284.404 -0.883 20 0 CBADRP c1cnc(N(C2C[NH2+]C2)[C@@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246876773 825726881 /nfs/dbraw/zinc/72/68/81/825726881.db2.gz MKYUKXCORRDNKK-LLVKDONJSA-N 2 0 274.372 -0.651 20 0 CBADRP [NH3+]C1CN([C@@H]2CCC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246871659 825727355 /nfs/dbraw/zinc/72/73/55/825727355.db2.gz NNLMJYIIRMGKLO-ZIAGYGMSSA-N 3 0 279.432 -0.812 20 0 CBADRP CCOC(=O)[C@H]1[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246874940 825727548 /nfs/dbraw/zinc/72/75/48/825727548.db2.gz UZUDDKZPUYTOCW-WUHRBBMRSA-N 2 0 279.384 -0.179 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246901863 825729038 /nfs/dbraw/zinc/72/90/38/825729038.db2.gz AORIAVVKRLLGQX-AXFHLTTASA-N 2 0 253.346 -0.297 20 0 CBADRP OC1([C@@H]2CCCC[NH2+]2)CN([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246900752 825729053 /nfs/dbraw/zinc/72/90/53/825729053.db2.gz TZERYZUSLYCXQS-STQMWFEESA-N 2 0 280.416 -0.731 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1C1CCC2(CC1)C[NH2+]CCO2 ZINC001246907345 825729936 /nfs/dbraw/zinc/72/99/36/825729936.db2.gz QWTSSRZMLZNTQQ-SDFYHXNISA-N 2 0 297.399 -0.138 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1C1CCC2(CC1)C[NH2+]CCO2 ZINC001246907364 825730332 /nfs/dbraw/zinc/73/03/32/825730332.db2.gz QWTSSRZMLZNTQQ-UQJCBBSYSA-N 2 0 297.399 -0.138 20 0 CBADRP CS(=O)(=O)N([C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001246914163 825730336 /nfs/dbraw/zinc/73/03/36/825730336.db2.gz SNTUUBNSQMDDDI-QWRGUYRKSA-N 2 0 261.391 -0.248 20 0 CBADRP C[NH+](C)CCNC(=S)N1CCOC[C@H]1C[NH+](C)C ZINC001249836329 825749851 /nfs/dbraw/zinc/74/98/51/825749851.db2.gz LFSJCJRRTIVEIX-LLVKDONJSA-N 2 0 274.434 -0.315 20 0 CBADRP COC(=O)[C@@H]1CN(C2CCC3(CC2)C[NH2+]CCO3)C[C@@H]1[NH3+] ZINC001246928759 825732782 /nfs/dbraw/zinc/73/27/82/825732782.db2.gz AIPBSEYLZTYGMA-ICRTXTNUSA-N 2 0 297.399 -0.280 20 0 CBADRP COC(=O)[C@@H]1CN(C2CCC3(CC2)C[NH2+]CCO3)C[C@H]1[NH3+] ZINC001246928757 825733048 /nfs/dbraw/zinc/73/30/48/825733048.db2.gz AIPBSEYLZTYGMA-DNCHLWJUSA-N 2 0 297.399 -0.280 20 0 CBADRP CC[C@H]1C[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CC[NH2+]1 ZINC001246926267 825733060 /nfs/dbraw/zinc/73/30/60/825733060.db2.gz SBGQRUIJXANGLP-UONOGXRCSA-N 3 0 299.463 -0.367 20 0 CBADRP COCCN([C@@H]1CCC[NH2+]C1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246926738 825733172 /nfs/dbraw/zinc/73/31/72/825733172.db2.gz DYUCSFJDSMXXPS-UONOGXRCSA-N 2 0 282.432 -0.219 20 0 CBADRP COC(=O)[C@@H]1CN([C@H]2CC3CC[NH+](CC3)C2)C[C@H]1[NH3+] ZINC001246929912 825733266 /nfs/dbraw/zinc/73/32/66/825733266.db2.gz IOBAUZRVNOIQKE-YNEHKIRRSA-N 2 0 267.373 -0.097 20 0 CBADRP COC(=O)[C@@H]1C[N@@H+](C2CCC3(C[NH2+]C3)CC2)C[C@@H]1N ZINC001246934682 825733798 /nfs/dbraw/zinc/73/37/98/825733798.db2.gz VWGQTKMXWMUYFJ-NEPJUHHUSA-N 2 0 267.373 -0.049 20 0 CBADRP COC(=O)[C@@H]1CN([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)C[C@H]1[NH3+] ZINC001246932522 825734955 /nfs/dbraw/zinc/73/49/55/825734955.db2.gz PWTIIMOGHLAZQC-IYKVGLELSA-N 2 0 255.362 -0.053 20 0 CBADRP [NH3+]C1CCN([C@@H]2CC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)CC1 ZINC001246978366 825737119 /nfs/dbraw/zinc/73/71/19/825737119.db2.gz SBXHAKNISKNBFM-HUUCEWRRSA-N 3 0 293.459 -0.422 20 0 CBADRP [NH3+]C1CCN([C@@H]2CC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)CC1 ZINC001246978367 825737323 /nfs/dbraw/zinc/73/73/23/825737323.db2.gz SBXHAKNISKNBFM-LSDHHAIUSA-N 3 0 293.459 -0.422 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]12 ZINC001246971997 825737484 /nfs/dbraw/zinc/73/74/84/825737484.db2.gz CEGLQLGNHSBAPL-MROQNXINSA-N 3 0 250.390 -0.251 20 0 CBADRP COC(=O)[C@@H]1C[C@H](N(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)CN1 ZINC001246986529 825738803 /nfs/dbraw/zinc/73/88/03/825738803.db2.gz LEODHSUPEVRXJT-RDBSUJKOSA-N 2 0 298.431 -0.495 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN([C@H]1CCC[NH2+]C1)CC2 ZINC001246984793 825739407 /nfs/dbraw/zinc/73/94/07/825739407.db2.gz GQTOXZPSMQKMBB-OBJOEFQTSA-N 2 0 267.373 -0.035 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@]3(C1)CNCCO3)CCN2 ZINC001246990650 825739458 /nfs/dbraw/zinc/73/94/58/825739458.db2.gz XAYUKFGOTBRJQB-TZMCWYRMSA-N 2 0 266.389 -0.855 20 0 CBADRP [NH3+]C[C@@H]1CC(F)(F)CN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246994491 825740184 /nfs/dbraw/zinc/74/01/84/825740184.db2.gz XFJXWBYOMBWXDC-UWVGGRQHSA-N 2 0 260.332 -0.251 20 0 CBADRP CS(=O)(=O)c1ccc(-c2noc(C[C@@H](N)C[NH3+])n2)cc1 ZINC001249129402 825747750 /nfs/dbraw/zinc/74/77/50/825747750.db2.gz ODQVQRAVTODJBB-SECBINFHSA-N 2 0 296.352 -0.031 20 0 CBADRP O=C(CC[NH2+]C[C@@H](O)C(F)(F)F)NCCc1c[nH]cn1 ZINC001250995707 825755150 /nfs/dbraw/zinc/75/51/50/825755150.db2.gz XQCPXTGZYRTXQC-SECBINFHSA-N 2 0 294.277 -0.029 20 0 CBADRP C[NH+](C)CCC(C)(C)[NH2+]C[C@H](O)CN1CCOCC1 ZINC001251039099 825769752 /nfs/dbraw/zinc/76/97/52/825769752.db2.gz BZCUMOJSXKTNJX-ZDUSSCGKSA-N 2 0 273.421 -0.001 20 0 CBADRP CCOC[C@H](O)CN(CC[NH+](C)C)CC[NH+](C)C ZINC001252025306 825813071 /nfs/dbraw/zinc/81/30/71/825813071.db2.gz AJTOJDXPLYMSAX-CYBMUJFWSA-N 2 0 261.410 -0.191 20 0 CBADRP CCOC[C@@H](O)C[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001252042335 825814253 /nfs/dbraw/zinc/81/42/53/825814253.db2.gz DWSGMUOWOVTXRR-ZDUSSCGKSA-N 2 0 273.421 -0.001 20 0 CBADRP C[NH+]1CCN(Cc2ccccc2C[NH2+]C[C@H](O)CO)CC1 ZINC001252070037 825828452 /nfs/dbraw/zinc/82/84/52/825828452.db2.gz MYTFDZKXBAGAPR-INIZCTEOSA-N 2 0 293.411 -0.123 20 0 CBADRP O=C(C[NH2+]C[C@H](O)CO)N1CC[NH+](C2CCCCC2)CC1 ZINC001252072929 825828768 /nfs/dbraw/zinc/82/87/68/825828768.db2.gz HGKUZPPSTMIOTE-AWEZNQCLSA-N 2 0 299.415 -0.594 20 0 CBADRP CC(C)OC[C@H](O)C[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001252692849 825883661 /nfs/dbraw/zinc/88/36/61/825883661.db2.gz HVYCHILKWMCVLM-CQSZACIVSA-N 2 0 273.421 -0.001 20 0 CBADRP C[NH+]1CCN(CC[NH2+]C[C@@H](O)C(=O)OC(C)(C)C)CC1 ZINC001253699087 825925105 /nfs/dbraw/zinc/92/51/05/825925105.db2.gz XKFGLQQWPNADHZ-GFCCVEGCSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@@H]1CCNC(=O)C1 ZINC001253175233 825900978 /nfs/dbraw/zinc/90/09/78/825900978.db2.gz GVVYQOCCNNZKBR-VXGBXAGGSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1CCCNC(=O)C1 ZINC001253215436 825906859 /nfs/dbraw/zinc/90/68/59/825906859.db2.gz XPBGCMASHUOTPR-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](CO)[C@H]1CCOC1 ZINC001253211967 825907421 /nfs/dbraw/zinc/90/74/21/825907421.db2.gz FYACFMHZWSEEQD-YNEHKIRRSA-N 2 0 260.378 -0.324 20 0 CBADRP C[NH+](C)C[C@H]1CN(C[C@H](O)C[NH2+]C(C)(C)C)CCO1 ZINC001253390424 825912454 /nfs/dbraw/zinc/91/24/54/825912454.db2.gz SSPGRRFMFAWWHW-OLZOCXBDSA-N 2 0 273.421 -0.002 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCCc1c[nH][nH]c1=O ZINC001253404530 825913075 /nfs/dbraw/zinc/91/30/75/825913075.db2.gz YQOJGPBCORTPGH-MNOVXSKESA-N 2 0 270.377 -0.163 20 0 CBADRP CN1C(=O)CC[C@H]1C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253406906 825913103 /nfs/dbraw/zinc/91/31/03/825913103.db2.gz XYBDPCNOJFALQF-QWRGUYRKSA-N 2 0 257.378 -0.054 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H](CO)[C@@H]1CCOC1 ZINC001253409604 825914779 /nfs/dbraw/zinc/91/47/79/825914779.db2.gz XAJHMXVZFZBFBA-GRYCIOLGSA-N 2 0 260.378 -0.278 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H]1CCCNC(=O)C1 ZINC001253411820 825915163 /nfs/dbraw/zinc/91/51/63/825915163.db2.gz XODZBWONBOXHPP-QWRGUYRKSA-N 2 0 257.378 -0.006 20 0 CBADRP [NH3+]CCCOCCOCCC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001254317810 825949204 /nfs/dbraw/zinc/94/92/04/825949204.db2.gz QPCOARJNCZISPV-LBPRGKRZSA-N 2 0 294.417 -0.465 20 0 CBADRP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001254504050 825963880 /nfs/dbraw/zinc/96/38/80/825963880.db2.gz RTEOBOIVHVONFN-MLGHIDQZSA-N 2 0 258.362 -0.837 20 0 CBADRP C[N@@H+]1CCC[C@@H]([NH2+]CCN2CCS(=O)(=O)CC2)CC1 ZINC001254508667 825965831 /nfs/dbraw/zinc/96/58/31/825965831.db2.gz KXGBBACELWWORI-CYBMUJFWSA-N 2 0 289.445 -0.209 20 0 CBADRP [NH3+]CCN(CC[NH2+][C@@H]1CC2CCN(CC2)C1)N(O)N=O ZINC001254843008 825969427 /nfs/dbraw/zinc/96/94/27/825969427.db2.gz DKMLAHNYHCAIAP-GFCCVEGCSA-N 2 0 286.380 -0.391 20 0 CBADRP COC(=O)[C@@H](C[NH3+])CN[C@H]1CC2CC[NH+](CC2)C1 ZINC001254841484 825969957 /nfs/dbraw/zinc/96/99/57/825969957.db2.gz XHPXZTZMSIWSRJ-RYUDHWBXSA-N 2 0 255.362 -0.192 20 0 CBADRP CS(=O)(=O)N(C1C[NH2+]C1)[C@H]1CC2CC[NH+](CC2)C1 ZINC001254859876 825971213 /nfs/dbraw/zinc/97/12/13/825971213.db2.gz IFCUPKZYMASDKT-NSHDSACASA-N 2 0 273.402 -0.296 20 0 CBADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H](O)C[NH3+])C1 ZINC001255583649 825990047 /nfs/dbraw/zinc/99/00/47/825990047.db2.gz KIEBGJVWXGONBE-UWVGGRQHSA-N 2 0 259.350 -0.095 20 0 CBADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H](O)C[NH3+])C1 ZINC001255583650 825990056 /nfs/dbraw/zinc/99/00/56/825990056.db2.gz KIEBGJVWXGONBE-VHSXEESVSA-N 2 0 259.350 -0.095 20 0 CBADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H](O)C[NH3+])C1 ZINC001255583648 825990195 /nfs/dbraw/zinc/99/01/95/825990195.db2.gz KIEBGJVWXGONBE-NXEZZACHSA-N 2 0 259.350 -0.095 20 0 CBADRP [NH3+]C[C@H](O)C[NH2+]C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255971080 825996768 /nfs/dbraw/zinc/99/67/68/825996768.db2.gz LHHZDQMWNKZFJC-QMMMGPOBSA-N 2 0 269.267 -0.551 20 0 CBADRP CN(C1CC[NH+](C2CC2)CC1)S(=O)(=O)CC[NH3+] ZINC001256067471 826000758 /nfs/dbraw/zinc/00/07/58/826000758.db2.gz QFGMAJIQYMIVFS-UHFFFAOYSA-N 2 0 261.391 -0.167 20 0 CBADRP COC(=O)[C@H](C[NH3+])C[NH2+]C1CCN(c2ncccn2)CC1 ZINC001256049747 826001033 /nfs/dbraw/zinc/00/10/33/826001033.db2.gz SQYSGRBGTWOXFW-LLVKDONJSA-N 2 0 293.371 -0.217 20 0 CBADRP C[C@@H](CC(=O)N1CCOCC1)NC(=[NH2+])NCCCC[NH3+] ZINC001256322214 826009421 /nfs/dbraw/zinc/00/94/21/826009421.db2.gz ZNKQASSKYQNAMG-NSHDSACASA-N 2 0 285.392 -0.523 20 0 CBADRP OC[C@H]1C[N@@H+](C2CCC([NH+]3CCOCC3)CC2)C[C@@H]1O ZINC001256690057 826029372 /nfs/dbraw/zinc/02/93/72/826029372.db2.gz FNFORCSPABLXTA-URGYJCLVSA-N 2 0 284.400 -0.085 20 0 CBADRP O=C1C[C@@H](C[NH2+]C2CCC([NH+]3CCOCC3)CC2)C(=O)N1 ZINC001256684212 826030076 /nfs/dbraw/zinc/03/00/76/826030076.db2.gz OPQXGXDSXFCTSW-HIFPTAJRSA-N 2 0 295.383 -0.118 20 0 CBADRP [NH3+]C[C@H](O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256849351 826034336 /nfs/dbraw/zinc/03/43/36/826034336.db2.gz WPPMNEZALKCXOJ-ZDUSSCGKSA-N 3 0 250.346 -0.040 20 0 CBADRP CS(=O)(=O)N1CCC(NC(=[NH2+])SCC[NH3+])CC1 ZINC001257224935 826041044 /nfs/dbraw/zinc/04/10/44/826041044.db2.gz UKXDKAKJOMIMKE-UHFFFAOYSA-N 2 0 280.419 -0.373 20 0 CBADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC(=O)NCC(N)=O ZINC001258908005 826068912 /nfs/dbraw/zinc/06/89/12/826068912.db2.gz VGPMZQCZRHJLMG-LLVKDONJSA-N 2 0 272.393 -0.312 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC001261383557 826508588 /nfs/dbraw/zinc/50/85/88/826508588.db2.gz OXSABSUCIDXFTJ-LBPRGKRZSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[C@H](C)[NH2+]C ZINC001261380789 826509217 /nfs/dbraw/zinc/50/92/17/826509217.db2.gz REIAVYSCUYTQHP-RYUDHWBXSA-N 2 0 286.420 -0.053 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001261450723 826514892 /nfs/dbraw/zinc/51/48/92/826514892.db2.gz HGXWRPRJUWWNCV-NSHDSACASA-N 2 0 268.361 -0.948 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC001261460261 826516779 /nfs/dbraw/zinc/51/67/79/826516779.db2.gz XQVPVXUKRCUYNO-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP COCC1(C(=O)NC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001261460219 826517265 /nfs/dbraw/zinc/51/72/65/826517265.db2.gz VSWFEMVLYOEJMT-UHFFFAOYSA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@H](CN1CCOCC1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001261492602 826524395 /nfs/dbraw/zinc/52/43/95/826524395.db2.gz LWMBXOWBKSTEEK-HUUCEWRRSA-N 2 0 282.432 -0.313 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001261493545 826525427 /nfs/dbraw/zinc/52/54/27/826525427.db2.gz HAOJRQUASXLPFI-DGCLKSJQSA-N 2 0 267.373 -0.035 20 0 CBADRP COC1(C(=O)N2CC[C@@](C)(C[NH3+])C2)CC[NH2+]CC1 ZINC001261500852 826527689 /nfs/dbraw/zinc/52/76/89/826527689.db2.gz IMRBZZKJESODGI-LBPRGKRZSA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH+](C)CCCCNC(=O)c1cn(CCC[NH3+])nn1 ZINC001261501452 826528184 /nfs/dbraw/zinc/52/81/84/826528184.db2.gz BPRULARFXNFOFH-UHFFFAOYSA-N 2 0 268.365 -0.302 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001261515617 826530772 /nfs/dbraw/zinc/53/07/72/826530772.db2.gz NTTPXWFWIAVBON-QJPTWQEYSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC(C[NH3+])CC2)C1 ZINC001261555218 826540772 /nfs/dbraw/zinc/54/07/72/826540772.db2.gz ZDUFNBRGKRLGKV-BETUJISGSA-N 2 0 296.415 -0.360 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001261636452 826551048 /nfs/dbraw/zinc/55/10/48/826551048.db2.gz KTMMNFOEPVEUEU-GHMZBOCLSA-N 2 0 270.377 -0.879 20 0 CBADRP C[C@H](CNC(=O)C[C@H]1CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC001261643271 826552622 /nfs/dbraw/zinc/55/26/22/826552622.db2.gz MSVVBALHGUDXPM-CHWSQXEVSA-N 2 0 268.405 -0.262 20 0 CBADRP CC(C)(CO)[NH+]1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC001261642899 826552874 /nfs/dbraw/zinc/55/28/74/826552874.db2.gz YLFHYIWIYFZGBK-GFCCVEGCSA-N 2 0 257.378 -0.637 20 0 CBADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N(C)CCC[NH3+])CC[N@@H+]1C ZINC001261644569 826554677 /nfs/dbraw/zinc/55/46/77/826554677.db2.gz FCLVYYNREQIFBG-VXGBXAGGSA-N 2 0 284.404 -0.265 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001261819669 826586253 /nfs/dbraw/zinc/58/62/53/826586253.db2.gz GRSLPGNNXFYOKP-UTUOFQBUSA-N 2 0 282.388 -0.547 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCC1=CC[NH2+]CC1 ZINC001261853284 826598868 /nfs/dbraw/zinc/59/88/68/826598868.db2.gz CSGXJLIDYWEVIQ-UHFFFAOYSA-N 2 0 288.417 -0.576 20 0 CBADRP O=C([C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001261892528 826605144 /nfs/dbraw/zinc/60/51/44/826605144.db2.gz OGDWYAMDGWHRJZ-ZDEQEGDKSA-N 2 0 264.373 -0.900 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC001262007963 826617912 /nfs/dbraw/zinc/61/79/12/826617912.db2.gz XCGJZZNZPKYGTM-OAHLLOKOSA-N 2 0 298.431 -0.491 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001262007707 826618301 /nfs/dbraw/zinc/61/83/01/826618301.db2.gz OFKQZUBJDAEADI-NEPJUHHUSA-N 2 0 271.361 -0.934 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)c1csc(CC[NH3+])n1 ZINC001262009066 826618328 /nfs/dbraw/zinc/61/83/28/826618328.db2.gz JQGRDGDQHPIQFV-UHFFFAOYSA-N 2 0 286.401 -0.048 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NCC1(C)CC[NH2+]CC1 ZINC001262007912 826618575 /nfs/dbraw/zinc/61/85/75/826618575.db2.gz VTUJVRAWMMOLFY-UHFFFAOYSA-N 2 0 265.361 -0.002 20 0 CBADRP COC[C@H]([NH3+])Cc1cn(CC2CC[NH2+]CC2)nn1 ZINC001262027555 826624209 /nfs/dbraw/zinc/62/42/09/826624209.db2.gz HYAPIFCKBCBWIK-LLVKDONJSA-N 2 0 253.350 -0.206 20 0 CBADRP C[C@H]([NH3+])CC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001262038010 826627642 /nfs/dbraw/zinc/62/76/42/826627642.db2.gz SWHKXVWRQCEMRB-VIFPVBQESA-N 2 0 264.333 -0.438 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC[N@@H+]1C ZINC001262062094 826629315 /nfs/dbraw/zinc/62/93/15/826629315.db2.gz RIMFKFVBIUBFQL-QJPTWQEYSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC001262062719 826629364 /nfs/dbraw/zinc/62/93/64/826629364.db2.gz FYVPJNWLTDWEBU-UPJWGTAASA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H](NC(C[NH3+])C[NH3+])C(=O)NCc1cccs1 ZINC001262194911 826657136 /nfs/dbraw/zinc/65/71/36/826657136.db2.gz IFTPIJOKJNOKMJ-QMMMGPOBSA-N 2 0 256.375 -0.372 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001262068802 826630955 /nfs/dbraw/zinc/63/09/55/826630955.db2.gz LPIQZDWOOPLOOG-AVGNSLFASA-N 2 0 296.415 -0.489 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001262075114 826633128 /nfs/dbraw/zinc/63/31/28/826633128.db2.gz KHQVHJFWGDEWLH-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC001262095990 826636472 /nfs/dbraw/zinc/63/64/72/826636472.db2.gz HTRWJHULXMPXBZ-AXFHLTTASA-N 2 0 256.350 -0.599 20 0 CBADRP CC(C)([NH3+])CCNC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001262098728 826636585 /nfs/dbraw/zinc/63/65/85/826636585.db2.gz QEPCEDMUCMDJDH-UHFFFAOYSA-N 2 0 256.350 -0.502 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001262161624 826645871 /nfs/dbraw/zinc/64/58/71/826645871.db2.gz PDUVXQHLQVYMMH-QWHCGFSZSA-N 2 0 294.399 -0.367 20 0 CBADRP C([C@H]1CC2(C[NH2+]C2)CO1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001262195399 826657270 /nfs/dbraw/zinc/65/72/70/826657270.db2.gz ZFFXGEXMOJFHOG-ZIAGYGMSSA-N 3 0 280.416 -0.656 20 0 CBADRP CONC(=O)C1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001262195092 826657333 /nfs/dbraw/zinc/65/73/33/826657333.db2.gz NVKGNQKPADUSBA-LBPRGKRZSA-N 2 0 283.372 -0.246 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC001262569062 826711325 /nfs/dbraw/zinc/71/13/25/826711325.db2.gz OXGCSGNKBFEZMX-QWHCGFSZSA-N 2 0 259.394 -0.391 20 0 CBADRP C[NH+]1CCN(CC[NH2+]C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC001262558578 826708630 /nfs/dbraw/zinc/70/86/30/826708630.db2.gz JXKLBJRXBSWBBR-CABCVRRESA-N 2 0 285.432 -0.265 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2cnoc2)CC1 ZINC001262566369 826710657 /nfs/dbraw/zinc/71/06/57/826710657.db2.gz ODHCMTJHZIMRMP-CYBMUJFWSA-N 2 0 268.361 -0.585 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)N1CCNCC[NH2+]CC1 ZINC001262571749 826711566 /nfs/dbraw/zinc/71/15/66/826711566.db2.gz BWPBCKSVXPIUIB-UHFFFAOYSA-N 2 0 285.436 -0.077 20 0 CBADRP [NH3+]CCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001262584107 826712308 /nfs/dbraw/zinc/71/23/08/826712308.db2.gz QWEXSHTXQRRPQD-OKILXGFUSA-N 3 0 295.431 -0.055 20 0 CBADRP O=C(NCC[NH2+]C1CC1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001262583877 826712648 /nfs/dbraw/zinc/71/26/48/826712648.db2.gz LBCVVZJRHUIZOQ-UONOGXRCSA-N 2 0 296.415 -0.021 20 0 CBADRP C[C@H](C[NH3+])NC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001262585401 826713480 /nfs/dbraw/zinc/71/34/80/826713480.db2.gz BMTAJFXUPUTBLT-FSDSQADBSA-N 2 0 254.256 -0.135 20 0 CBADRP C[NH2+]CCNC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001262585068 826713944 /nfs/dbraw/zinc/71/39/44/826713944.db2.gz SBJQTAINIYPQCS-JTQLQIEISA-N 2 0 284.360 -0.810 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001262599801 826717292 /nfs/dbraw/zinc/71/72/92/826717292.db2.gz JLCCVSZZUKFEGD-IRCOFANPSA-N 2 0 268.361 -0.491 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2C[NH2+]CCN2C)C[C@H](C)O1 ZINC001263093913 826735025 /nfs/dbraw/zinc/73/50/25/826735025.db2.gz QDKCAZSYQJOHGP-HZSPNIEDSA-N 2 0 298.431 -0.495 20 0 CBADRP C[NH2+]C1(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCC1 ZINC001263099092 826736367 /nfs/dbraw/zinc/73/63/67/826736367.db2.gz XZORCWCCQOQFON-LBPRGKRZSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)[NH+](C)C ZINC001263097149 826736585 /nfs/dbraw/zinc/73/65/85/826736585.db2.gz NQHLUPITJRDLJN-MNOVXSKESA-N 2 0 270.377 -0.750 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC[N@@H+]1C ZINC001263100187 826736721 /nfs/dbraw/zinc/73/67/21/826736721.db2.gz HHTLNVCHKPJTJP-UZWSLXQKSA-N 2 0 255.362 -0.302 20 0 CBADRP C[NH+](C)CCOc1ccc(CNC(=O)CNCC[NH3+])cc1 ZINC001263094590 826737294 /nfs/dbraw/zinc/73/72/94/826737294.db2.gz LOWILRMTZLJGTN-UHFFFAOYSA-N 2 0 294.399 -0.209 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C[NH+]1CCC(CO)CC1 ZINC001263104747 826738030 /nfs/dbraw/zinc/73/80/30/826738030.db2.gz SAYUNSYJOMHHIZ-NWDGAFQWSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC001263108464 826739198 /nfs/dbraw/zinc/73/91/98/826739198.db2.gz YBMORERIGAIVMZ-RCWTZXSCSA-N 2 0 261.341 -0.639 20 0 CBADRP C[C@H]([NH3+])CNC(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC001263107167 826739485 /nfs/dbraw/zinc/73/94/85/826739485.db2.gz PKAQHFSIQVOBTM-QCNOEVLYSA-N 2 0 255.362 -0.003 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C[C@]2(O)CCC[NH2+]C2)CC[NH2+]1 ZINC001263106822 826739376 /nfs/dbraw/zinc/73/93/76/826739376.db2.gz GTIYLVWSIUYRMK-NTZNESFSSA-N 2 0 255.362 -0.252 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC001263108463 826739700 /nfs/dbraw/zinc/73/97/00/826739700.db2.gz YBMORERIGAIVMZ-NAKRPEOUSA-N 2 0 261.341 -0.639 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCCO1 ZINC001263127937 826741684 /nfs/dbraw/zinc/74/16/84/826741684.db2.gz BAXHJSLLTGDJHT-IRCOFANPSA-N 2 0 253.346 -0.297 20 0 CBADRP C[NH+](C)CCOCCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001263117230 826742253 /nfs/dbraw/zinc/74/22/53/826742253.db2.gz VUDMMPUTRDORSN-ZDUSSCGKSA-N 2 0 273.377 -0.815 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001263134349 826743139 /nfs/dbraw/zinc/74/31/39/826743139.db2.gz RMQRBUWSOZTAHM-ZJUUUORDSA-N 2 0 261.391 -0.439 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001263148594 826744309 /nfs/dbraw/zinc/74/43/09/826744309.db2.gz HEHVMPLYRVKFFG-TZMCWYRMSA-N 2 0 285.388 -0.674 20 0 CBADRP O=C(NCC1(O)C[NH2+]C1)C1(C2CC[NH2+]CC2)CC1 ZINC001263153146 826744611 /nfs/dbraw/zinc/74/46/11/826744611.db2.gz FDKXPZGACUKCCH-UHFFFAOYSA-N 2 0 253.346 -0.783 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC001263153714 826745035 /nfs/dbraw/zinc/74/50/35/826745035.db2.gz UOUGXBMLNUFPTK-CYBMUJFWSA-N 2 0 268.405 -0.227 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001263161009 826746258 /nfs/dbraw/zinc/74/62/58/826746258.db2.gz UCIVQSRGQQJNFH-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC001263176185 826749284 /nfs/dbraw/zinc/74/92/84/826749284.db2.gz YBYSZVRJEKTQGL-SCVCMEIPSA-N 2 0 257.378 -0.293 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001263157683 826746627 /nfs/dbraw/zinc/74/66/27/826746627.db2.gz GPVXNPGIGRXBSI-GDKBPFBDSA-N 2 0 253.346 -0.559 20 0 CBADRP C[NH2+]CCc1ccccc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001263162624 826747708 /nfs/dbraw/zinc/74/77/08/826747708.db2.gz PLFOIPJWAHZODP-OLZOCXBDSA-N 2 0 263.341 -0.489 20 0 CBADRP C[NH+]1CCC(OCC(=O)NCCOCCC[NH3+])CC1 ZINC001263167170 826747790 /nfs/dbraw/zinc/74/77/90/826747790.db2.gz CGTHBJQTIXKZJE-UHFFFAOYSA-N 2 0 273.377 -0.421 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001263169709 826748591 /nfs/dbraw/zinc/74/85/91/826748591.db2.gz WCOMSAYUJFKSSA-VXGBXAGGSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC001263176183 826749433 /nfs/dbraw/zinc/74/94/33/826749433.db2.gz YBYSZVRJEKTQGL-JFGNBEQYSA-N 2 0 257.378 -0.293 20 0 CBADRP CC(C)([NH3+])CCNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001263182420 826749942 /nfs/dbraw/zinc/74/99/42/826749942.db2.gz PCBQNUACBKLZSD-SECBINFHSA-N 2 0 268.361 -0.950 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001263212522 826753743 /nfs/dbraw/zinc/75/37/43/826753743.db2.gz VIVGFTJXGKFYTD-XBFCOCLRSA-N 2 0 267.373 -0.169 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001263212659 826753813 /nfs/dbraw/zinc/75/38/13/826753813.db2.gz ZKOKBVTUIXFTMC-OIBJUYFYSA-N 2 0 251.277 -0.719 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NCCCCCN1CC[NH2+]CC1 ZINC001263207982 826753850 /nfs/dbraw/zinc/75/38/50/826753850.db2.gz XJFFJKLKYMHFCI-CQSZACIVSA-N 2 0 298.431 -0.443 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001263210422 826754051 /nfs/dbraw/zinc/75/40/51/826754051.db2.gz LDMLAMSNHYVCAP-UHFFFAOYSA-N 2 0 254.378 -0.650 20 0 CBADRP C[C@@]([NH3+])(C(=O)N1CCNCC[NH2+]CC1)c1ccccc1 ZINC001263211220 826754084 /nfs/dbraw/zinc/75/40/84/826754084.db2.gz JISBXRVGKKUAKF-HNNXBMFYSA-N 2 0 276.384 -0.118 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)NC2(C3CC[NH2+]CC3)CC2)=NO1 ZINC001263247043 826757346 /nfs/dbraw/zinc/75/73/46/826757346.db2.gz JFTRHIGLXGUDRP-SNVBAGLBSA-N 2 0 266.345 -0.262 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)CC[N@H+](C)CC1 ZINC001263245573 826757577 /nfs/dbraw/zinc/75/75/77/826757577.db2.gz NLPMHTVMKDPZGN-ZDUSSCGKSA-N 2 0 282.432 -0.062 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC001263252940 826758933 /nfs/dbraw/zinc/75/89/33/826758933.db2.gz FPWNURBYUUVILN-NEPJUHHUSA-N 2 0 255.362 -0.049 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC001263260457 826759751 /nfs/dbraw/zinc/75/97/51/826759751.db2.gz BSSBJQWDCYOOCR-GVXVVHGQSA-N 2 0 253.346 -0.567 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001263298678 826761049 /nfs/dbraw/zinc/76/10/49/826761049.db2.gz FBELJVJZRYUTMY-IITNWZNOSA-N 2 0 255.362 -0.411 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C ZINC001263746362 826774641 /nfs/dbraw/zinc/77/46/41/826774641.db2.gz KFTVVFLBJXOMEE-KBPBESRZSA-N 2 0 298.431 -0.541 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCOCCO)C2)C1 ZINC001264438998 826812179 /nfs/dbraw/zinc/81/21/79/826812179.db2.gz HVUGUXAWTWLAMD-MGPQQGTHSA-N 2 0 299.415 -0.569 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]CCCO)C2CC2)C1 ZINC001265380496 826888750 /nfs/dbraw/zinc/88/87/50/826888750.db2.gz OCGCWCPASCRTIG-CHWSQXEVSA-N 2 0 269.389 -0.195 20 0 CBADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001265567006 826905220 /nfs/dbraw/zinc/90/52/20/826905220.db2.gz SAUFLXQZGHJHID-FRRDWIJNSA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001265573189 826905315 /nfs/dbraw/zinc/90/53/15/826905315.db2.gz XXDSAQKFOMVPLF-UTUOFQBUSA-N 2 0 257.378 -0.056 20 0 CBADRP C[C@H](CNC(=O)CCCC[NH+](C)C)[NH2+][C@H]1CCNC1=O ZINC001265851493 826929110 /nfs/dbraw/zinc/92/91/10/826929110.db2.gz OOFPEOMHRKPAQY-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CN1CC[C@H]([N@H+](C)CCCNC(=O)CC[NH+](C)C)C1=O ZINC001265917051 826938508 /nfs/dbraw/zinc/93/85/08/826938508.db2.gz AIGCSSCJSVFYGJ-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001265922806 826938595 /nfs/dbraw/zinc/93/85/95/826938595.db2.gz HWFZNPUVIXEUAK-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP C[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CC(N)=O ZINC001265936733 826939449 /nfs/dbraw/zinc/93/94/49/826939449.db2.gz FZUZQPXTQYKUJV-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CC(N)=O ZINC001265936735 826940054 /nfs/dbraw/zinc/94/00/54/826940054.db2.gz FZUZQPXTQYKUJV-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[C@@H](C(=O)NCCC[N@H+](C)[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001265954972 826942285 /nfs/dbraw/zinc/94/22/85/826942285.db2.gz YYJAYYJVBGWEMP-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001266037422 826948429 /nfs/dbraw/zinc/94/84/29/826948429.db2.gz RFGYXMKKPYEOKR-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001266037421 826948997 /nfs/dbraw/zinc/94/89/97/826948997.db2.gz RFGYXMKKPYEOKR-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001266174777 826958846 /nfs/dbraw/zinc/95/88/46/826958846.db2.gz UFFSNIBRHRHEPC-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266339654 826986219 /nfs/dbraw/zinc/98/62/19/826986219.db2.gz VDRNWOAAGZRYBJ-NEPJUHHUSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H](O)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001266442319 827000826 /nfs/dbraw/zinc/00/08/26/827000826.db2.gz WXKIUOMGSJNEDU-WCQYABFASA-N 2 0 269.389 -0.053 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@H+]1CCO ZINC001266495946 827007343 /nfs/dbraw/zinc/00/73/43/827007343.db2.gz XPZSICSFJXEFFO-LBPRGKRZSA-N 2 0 255.362 -0.345 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266533394 827018160 /nfs/dbraw/zinc/01/81/60/827018160.db2.gz IXBZURNYFLLJNC-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266533392 827018743 /nfs/dbraw/zinc/01/87/43/827018743.db2.gz IXBZURNYFLLJNC-NWDGAFQWSA-N 2 0 257.378 -0.243 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001266565654 827021954 /nfs/dbraw/zinc/02/19/54/827021954.db2.gz IINPTTPHLIWGJX-NSHDSACASA-N 2 0 268.361 -0.981 20 0 CBADRP C[C@@H](O)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001266584774 827026238 /nfs/dbraw/zinc/02/62/38/827026238.db2.gz MEOLTWDPJOKXME-AAVRWANBSA-N 2 0 299.415 -0.285 20 0 CBADRP CC(C)OCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001266585210 827026673 /nfs/dbraw/zinc/02/66/73/827026673.db2.gz WKOSYAHNDYNCKZ-MGPQQGTHSA-N 2 0 299.415 -0.021 20 0 CBADRP CN(CC[NH2+]CCN1CCCC1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001266659853 827042855 /nfs/dbraw/zinc/04/28/55/827042855.db2.gz IRAHZQLAUIRPOB-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CN(C)C(=O)C[NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001266731196 827059281 /nfs/dbraw/zinc/05/92/81/827059281.db2.gz UZIXMVFASNLJJC-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCO ZINC001266965439 827099061 /nfs/dbraw/zinc/09/90/61/827099061.db2.gz UMNDLFFLXBNCJZ-WOPDTQHZSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CCn1cccn1 ZINC001266968943 827099911 /nfs/dbraw/zinc/09/99/11/827099911.db2.gz XGQJUBCHEAFDIM-GFCCVEGCSA-N 2 0 267.377 -0.071 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+]CC(=O)NC1CC1)[NH+](C)C ZINC001266987950 827103478 /nfs/dbraw/zinc/10/34/78/827103478.db2.gz BAZHXFJDPRMRGF-GFCCVEGCSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267006698 827106043 /nfs/dbraw/zinc/10/60/43/827106043.db2.gz QEFXFBKQFRGJGF-WDEREUQCSA-N 2 0 268.361 -0.983 20 0 CBADRP NC(=O)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001267026950 827108402 /nfs/dbraw/zinc/10/84/02/827108402.db2.gz QFPGZPFDPOIPII-ZDUSSCGKSA-N 2 0 296.415 -0.072 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](C[NH2+]CCO)C2)C1 ZINC001267065391 827111811 /nfs/dbraw/zinc/11/18/11/827111811.db2.gz TXYPYZLEXSTGTB-CHWSQXEVSA-N 2 0 269.389 -0.241 20 0 CBADRP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001267081098 827112697 /nfs/dbraw/zinc/11/26/97/827112697.db2.gz BZEAGQYSUHBSKU-LLVKDONJSA-N 2 0 268.361 -0.981 20 0 CBADRP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001267081099 827113174 /nfs/dbraw/zinc/11/31/74/827113174.db2.gz BZEAGQYSUHBSKU-NSHDSACASA-N 2 0 268.361 -0.981 20 0 CBADRP C[NH+]1CCC(C(=O)NCC[N@H+](CCO)C2CC2)CC1 ZINC001267332406 827150863 /nfs/dbraw/zinc/15/08/63/827150863.db2.gz LOXBOJPVQZSIQK-UHFFFAOYSA-N 2 0 269.389 -0.099 20 0 CBADRP CN(CC[NH2+]CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267373752 827161529 /nfs/dbraw/zinc/16/15/29/827161529.db2.gz LIPRRXXGPSYYRO-LBPRGKRZSA-N 2 0 255.362 -0.632 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)N(C)C ZINC001267379649 827162139 /nfs/dbraw/zinc/16/21/39/827162139.db2.gz BHWHEBQZMSLESX-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CN(CC[NH2+]CCn1cncn1)C(=O)C1([NH+](C)C)CCC1 ZINC001267383841 827163018 /nfs/dbraw/zinc/16/30/18/827163018.db2.gz ARVFHCAHDHDUKU-UHFFFAOYSA-N 2 0 294.403 -0.190 20 0 CBADRP CCCNC(=O)C[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001267422851 827168080 /nfs/dbraw/zinc/16/80/80/827168080.db2.gz QUKZXUQRQHLYDM-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CN(CC[NH2+]CCS(C)(=O)=O)C(=O)CC[NH+](C)C ZINC001267424287 827169782 /nfs/dbraw/zinc/16/97/82/827169782.db2.gz JMLNLMBHPWBKIP-UHFFFAOYSA-N 2 0 279.406 -0.969 20 0 CBADRP CN(CC[NH2+]CC(=O)NC(C)(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267469050 827175056 /nfs/dbraw/zinc/17/50/56/827175056.db2.gz GMWIWRMHXGVYSW-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP Cc1nccn1CC(=O)N(C)CC[NH2+]C[C@@H](C)O ZINC001267469435 827175547 /nfs/dbraw/zinc/17/55/47/827175547.db2.gz PXRXIEFSHWVMGE-SNVBAGLBSA-N 2 0 254.334 -0.380 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCOCCO)C2)C1 ZINC001267754129 827216178 /nfs/dbraw/zinc/21/61/78/827216178.db2.gz BJKTUWJAQRQBCS-CHWSQXEVSA-N 2 0 285.388 -0.863 20 0 CBADRP C[C@@](C[NH2+]CCO)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001267863724 827230504 /nfs/dbraw/zinc/23/05/04/827230504.db2.gz NNMIXLIRBHXLJX-AWEZNQCLSA-N 2 0 281.400 -0.051 20 0 CBADRP C[C@](C[NH2+]CCO)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001267863725 827230819 /nfs/dbraw/zinc/23/08/19/827230819.db2.gz NNMIXLIRBHXLJX-CQSZACIVSA-N 2 0 281.400 -0.051 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CCCO ZINC001267997109 827240356 /nfs/dbraw/zinc/24/03/56/827240356.db2.gz AZTSHFDWMOINGI-NWDGAFQWSA-N 2 0 257.378 -0.195 20 0 CBADRP O=C(NC[C@@H](O)C[NH2+]CCF)[C@H]1C[NH+]2CCC1CC2 ZINC001268306355 827290419 /nfs/dbraw/zinc/29/04/19/827290419.db2.gz AXLVQBSJSDPRDO-RYUDHWBXSA-N 2 0 273.352 -0.636 20 0 CBADRP COCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268319718 827298540 /nfs/dbraw/zinc/29/85/40/827298540.db2.gz LFQAAAKXYCZZLY-NEPJUHHUSA-N 2 0 273.377 -0.816 20 0 CBADRP CCN1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC=C(C)C)C1 ZINC001268335065 827308272 /nfs/dbraw/zinc/30/82/72/827308272.db2.gz OKRLDTAAXZOOFD-UONOGXRCSA-N 2 0 299.415 -0.260 20 0 CBADRP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268391063 827321236 /nfs/dbraw/zinc/32/12/36/827321236.db2.gz AQDWOAKMRWNXKI-SRVKXCTJSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001268521741 827352823 /nfs/dbraw/zinc/35/28/23/827352823.db2.gz IQNYDVRPPHJDJC-MUBLQREKSA-N 2 0 296.415 -0.133 20 0 CBADRP CC(C)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268521739 827352873 /nfs/dbraw/zinc/35/28/73/827352873.db2.gz IQNYDVRPPHJDJC-IHVVCDCBSA-N 2 0 296.415 -0.133 20 0 CBADRP COC[C@@H](O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268543685 827361331 /nfs/dbraw/zinc/36/13/31/827361331.db2.gz XRIZNTZJKYKTDC-RVFNEKRJSA-N 2 0 299.415 -0.404 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCO ZINC001268557733 827364513 /nfs/dbraw/zinc/36/45/13/827364513.db2.gz XSUHTUQVZBDFSS-VSQXVHSFSA-N 2 0 255.362 -0.275 20 0 CBADRP COC[C@@H](O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268557390 827364707 /nfs/dbraw/zinc/36/47/07/827364707.db2.gz VCVCZTRGPGDRPB-CTXXGXLOSA-N 2 0 299.415 -0.260 20 0 CBADRP C[C@H]([NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001268562469 827365297 /nfs/dbraw/zinc/36/52/97/827365297.db2.gz HMTPUKMYPZSXJM-JDGPPOGSSA-N 2 0 294.399 -0.249 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001268559882 827365746 /nfs/dbraw/zinc/36/57/46/827365746.db2.gz IMAMSQWGGACUCU-OOPCZODUSA-N 2 0 296.415 -0.146 20 0 CBADRP CCN(C)C(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001268573166 827367205 /nfs/dbraw/zinc/36/72/05/827367205.db2.gz FGPQQOYEXWBFQB-CFHLNLSMSA-N 2 0 296.415 -0.179 20 0 CBADRP C[C@@H]([NH2+]C/C=C\CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001268581736 827370405 /nfs/dbraw/zinc/37/04/05/827370405.db2.gz JZUUBVFVYUHRBN-DOGVGXBMSA-N 2 0 282.388 -0.536 20 0 CBADRP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001268584263 827370751 /nfs/dbraw/zinc/37/07/51/827370751.db2.gz XXVPNBFHXFDAEZ-DFIDTIBPSA-N 2 0 296.415 -0.148 20 0 CBADRP C[NH+](C)CCC(=O)NC/C=C/C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268588414 827373427 /nfs/dbraw/zinc/37/34/27/827373427.db2.gz RILBCEDWKMMFFN-UFFNRZRYSA-N 2 0 296.371 -0.995 20 0 CBADRP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]CC(=O)N1CCC1 ZINC001268625629 827381908 /nfs/dbraw/zinc/38/19/08/827381908.db2.gz RJSLFSMOBDLUEE-UPHRSURJSA-N 2 0 294.399 -0.424 20 0 CBADRP C[C@@H](O)C[NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1 ZINC001268625762 827383692 /nfs/dbraw/zinc/38/36/92/827383692.db2.gz SIFMDNFVTUYZHH-ZZKXABKFSA-N 2 0 255.362 -0.275 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)C(N)=O ZINC001268717120 827410210 /nfs/dbraw/zinc/41/02/10/827410210.db2.gz RCHOBWICPSSDNM-VHSXEESVSA-N 2 0 258.366 -0.705 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]CC(N)=O ZINC001268791510 827422198 /nfs/dbraw/zinc/42/21/98/827422198.db2.gz OEUKAWMBPPKUMY-GFCCVEGCSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]CC(=O)N(C)C)CC[N@@H+]1C ZINC001268793942 827423442 /nfs/dbraw/zinc/42/34/42/827423442.db2.gz SXGFEVUOOITJSS-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268946369 827442883 /nfs/dbraw/zinc/44/28/83/827442883.db2.gz NNPIKUUWTQMWFE-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP CN(CCC[NH2+]Cc1nncn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268946970 827443219 /nfs/dbraw/zinc/44/32/19/827443219.db2.gz WQKSDHMUDSUBLE-GFCCVEGCSA-N 2 0 294.403 -0.295 20 0 CBADRP CN(CCC[NH2+]CC(N)=O)C(=O)CC[NH+]1CCCCC1 ZINC001268958929 827445374 /nfs/dbraw/zinc/44/53/74/827445374.db2.gz RFNIAKNBWKTLSM-UHFFFAOYSA-N 2 0 284.404 -0.214 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCO)C1CC1 ZINC001269051232 827457280 /nfs/dbraw/zinc/45/72/80/827457280.db2.gz PKTFBBQSGKHXMS-STQMWFEESA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@@H+]1CCCO ZINC001269278393 827487758 /nfs/dbraw/zinc/48/77/58/827487758.db2.gz IECCTEAWNIEKRQ-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC2([NH2+]CC(N)=O)CC2)CC1 ZINC001269476189 827512962 /nfs/dbraw/zinc/51/29/62/827512962.db2.gz YHYIEXCATKCECY-UHFFFAOYSA-N 2 0 268.361 -0.948 20 0 CBADRP C[C@H](C[NH2+]CCO)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001271172136 827672669 /nfs/dbraw/zinc/67/26/69/827672669.db2.gz WZFAZVGVVZXJFI-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP CCOCC[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001271185402 827675089 /nfs/dbraw/zinc/67/50/89/827675089.db2.gz YDVXRSJLWKUSOF-CQSZACIVSA-N 2 0 287.404 -0.472 20 0 CBADRP CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001271221650 827678123 /nfs/dbraw/zinc/67/81/23/827678123.db2.gz YVTHBCQHAHQEJC-GXTWGEPZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001271222639 827678589 /nfs/dbraw/zinc/67/85/89/827678589.db2.gz CDOBLDRDTLRSIN-MELADBBJSA-N 2 0 280.416 -0.215 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001271879797 827732869 /nfs/dbraw/zinc/73/28/69/827732869.db2.gz CDBGRJZEVLQQDO-BETUJISGSA-N 2 0 269.389 -0.289 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)C[NH2+]CCF ZINC001272444553 827798746 /nfs/dbraw/zinc/79/87/46/827798746.db2.gz VXQJGMZRDUAJJM-VXGBXAGGSA-N 2 0 275.368 -0.103 20 0 CBADRP C[N@H+](CC(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1)C1CCC1 ZINC001272457479 827801879 /nfs/dbraw/zinc/80/18/79/827801879.db2.gz QOMBMKAHWYRBFI-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+](C)CCN1C(=O)COCC12C[NH+](CC1CC1)C2 ZINC001272484689 827805040 /nfs/dbraw/zinc/80/50/40/827805040.db2.gz XEVUYTZASAYENU-UHFFFAOYSA-N 2 0 267.373 -0.129 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001272535199 827814878 /nfs/dbraw/zinc/81/48/78/827814878.db2.gz VWTZJAVEKHILFR-HNNXBMFYSA-N 2 0 296.415 -0.439 20 0 CBADRP CC(C)C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001272583048 827825318 /nfs/dbraw/zinc/82/53/18/827825318.db2.gz DPUDJWHAONADGF-LBPRGKRZSA-N 2 0 257.378 -0.195 20 0 CBADRP CN1C(=O)COCC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001273030302 827856891 /nfs/dbraw/zinc/85/68/91/827856891.db2.gz JFJFGNBGAIWNFG-UHFFFAOYSA-N 2 0 253.346 -0.471 20 0 CBADRP C[NH+](C)CCN1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273108934 827865860 /nfs/dbraw/zinc/86/58/60/827865860.db2.gz WOUVQGFEHHYZMO-OAHLLOKOSA-N 2 0 298.431 -0.587 20 0 CBADRP C[C@H](CC[NH2+]Cc1cnn(C)n1)NC(=O)C[NH+]1CCCC1 ZINC001273183302 827871986 /nfs/dbraw/zinc/87/19/86/827871986.db2.gz JLARLIOSCTXRDZ-GFCCVEGCSA-N 2 0 294.403 -0.105 20 0 CBADRP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001273201325 827872735 /nfs/dbraw/zinc/87/27/35/827872735.db2.gz LKCHQUMPKFZIIT-VXGBXAGGSA-N 2 0 269.389 -0.053 20 0 CBADRP COCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC001273276933 827881261 /nfs/dbraw/zinc/88/12/61/827881261.db2.gz NZGGIEHEELSYKB-ZIAGYGMSSA-N 2 0 299.415 -0.066 20 0 CBADRP CCN(CC[NH2+]CC(=O)N1CCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001273298128 827886900 /nfs/dbraw/zinc/88/69/00/827886900.db2.gz JDAIEBNBZHKDEF-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCO[C@@H](C[NH2+]CCCO)C1 ZINC001273309331 827889281 /nfs/dbraw/zinc/88/92/81/827889281.db2.gz WROFHUGFDOMDLT-ZDUSSCGKSA-N 2 0 287.404 -0.472 20 0 CBADRP COCCC[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273475758 827901995 /nfs/dbraw/zinc/90/19/95/827901995.db2.gz ZAINMVYYCCCWBK-HNNXBMFYSA-N 2 0 299.415 -0.112 20 0 CBADRP CCN(CC[NH2+]CC(N)=O)C(=O)C(C)(C)c1cnc[nH]1 ZINC001273709885 827921447 /nfs/dbraw/zinc/92/14/47/827921447.db2.gz BBTCBSDCRLCEQQ-UHFFFAOYSA-N 2 0 281.360 -0.389 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274046480 827956342 /nfs/dbraw/zinc/95/63/42/827956342.db2.gz FDUJSHMINAAQGR-UKRRQHHQSA-N 2 0 299.415 -0.520 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274045827 827956566 /nfs/dbraw/zinc/95/65/66/827956566.db2.gz ABUICSFZDHGUBH-DOMZBBRYSA-N 2 0 297.399 -0.230 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274047912 827958060 /nfs/dbraw/zinc/95/80/60/827958060.db2.gz VNFSWHPOMZBZRE-OCCSQVGLSA-N 2 0 285.388 -0.768 20 0 CBADRP CC[C@@H](C(=O)NC/C=C/C[NH2+][C@H](C)C(=O)NC)[NH+](C)C ZINC001274367685 827985482 /nfs/dbraw/zinc/98/54/82/827985482.db2.gz DTEOXWFJALYGEL-LASXONHFSA-N 2 0 284.404 -0.277 20 0 CBADRP CNC(=O)C[NH2+]C/C=C\CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001274369001 827987084 /nfs/dbraw/zinc/98/70/84/827987084.db2.gz OWCZHYSMPORXQM-SREVYHEPSA-N 2 0 298.431 -0.028 20 0 CBADRP CC1CC[NH+](CC(=O)NC/C=C/C[NH2+]CC(N)=O)CC1 ZINC001274463337 827992389 /nfs/dbraw/zinc/99/23/89/827992389.db2.gz FLVYSMMLLSVXHN-NSCUHMNNSA-N 2 0 282.388 -0.534 20 0 CBADRP CNC(=O)C[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001274506365 827994976 /nfs/dbraw/zinc/99/49/76/827994976.db2.gz AAHZIJFBXJBQQK-IHWYPQMZSA-N 2 0 280.372 -0.910 20 0 CBADRP CC[C@H](C(=O)NC/C=C\C[NH2+]C[C@@H](C)O)[NH+](C)C ZINC001274512529 827995943 /nfs/dbraw/zinc/99/59/43/827995943.db2.gz ZUTCERPDOVZASN-UXFRKABBSA-N 2 0 257.378 -0.031 20 0 CBADRP C[NH+](C)CCN1CCC2(CC[NH+](C[C@H](O)CO)CC2)C1=O ZINC001274565470 828002115 /nfs/dbraw/zinc/00/21/15/828002115.db2.gz QNXRQIJFSHIYQU-ZDUSSCGKSA-N 2 0 299.415 -0.784 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]CCCO)C1 ZINC001274579172 828003807 /nfs/dbraw/zinc/00/38/07/828003807.db2.gz RIUITQDCPPVVOR-QAVQXKDTSA-N 2 0 255.362 -0.418 20 0 CBADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](CC(C)(C)O)C2)OCC1=O ZINC001274593189 828007329 /nfs/dbraw/zinc/00/73/29/828007329.db2.gz JVYYIBQHURBEDE-HNNXBMFYSA-N 2 0 299.415 -0.378 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN1CC[C@]2(C1)CN(C)C(=O)CO2 ZINC001274655471 828015503 /nfs/dbraw/zinc/01/55/03/828015503.db2.gz KXVKGLWYKRJMFP-DZGCQCFKSA-N 2 0 299.415 -0.378 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CN1CC[C@]2(C1)CN(C)C(=O)CO2 ZINC001274655473 828016869 /nfs/dbraw/zinc/01/68/69/828016869.db2.gz KXVKGLWYKRJMFP-UKRRQHHQSA-N 2 0 299.415 -0.378 20 0 CBADRP C[C@H](C[NH2+]C[C@H](C)O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001274888198 828039030 /nfs/dbraw/zinc/03/90/30/828039030.db2.gz JTJZBZPDNBCFSD-WOPDTQHZSA-N 2 0 257.378 -0.054 20 0 CBADRP C[C@H](C[NH2+]CCn1cncn1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001274888144 828039228 /nfs/dbraw/zinc/03/92/28/828039228.db2.gz JENKGEVAQIKMEZ-OLZOCXBDSA-N 2 0 294.403 -0.143 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]CC(=O)NC ZINC001274996230 828049604 /nfs/dbraw/zinc/04/96/04/828049604.db2.gz YKKICCVEYDHPMC-SNVBAGLBSA-N 2 0 258.366 -0.832 20 0 CBADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001275172826 828062026 /nfs/dbraw/zinc/06/20/26/828062026.db2.gz WLDZMQGHMHBXCQ-ZNMIVQPWSA-N 2 0 283.416 -0.031 20 0 CBADRP C[NH+](C)CCN1C[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H](C1)O2 ZINC001275172787 828062756 /nfs/dbraw/zinc/06/27/56/828062756.db2.gz VRCBHELQPWJXOO-KFWWJZLASA-N 2 0 283.416 -0.031 20 0 CBADRP C[NH+](C)CCN1CC2(C1)C[NH+](C[C@@H]1CCC(=O)N1)C2 ZINC001275188972 828063888 /nfs/dbraw/zinc/06/38/88/828063888.db2.gz RKSYDUDZOCUDAW-LBPRGKRZSA-N 2 0 266.389 -0.556 20 0 CBADRP C[C@@H](C[NH2+]Cc1ccnn1C)NC(=O)CC[NH+](C)C ZINC001275292401 828076949 /nfs/dbraw/zinc/07/69/49/828076949.db2.gz VTPBRCCJTYACIV-NSHDSACASA-N 2 0 267.377 -0.034 20 0 CBADRP C[C@H](C[N@H+](C)CCO)NC(=O)C12CC[NH+](CC1)C2 ZINC001275698370 828108732 /nfs/dbraw/zinc/10/87/32/828108732.db2.gz QLZPPQMRROHFQM-LLVKDONJSA-N 2 0 255.362 -0.489 20 0 CBADRP CC[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001276379687 828142849 /nfs/dbraw/zinc/14/28/49/828142849.db2.gz OZLAUHHHNQFHAA-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(CC[NH+](C)C)[C@@H]2C1 ZINC001276463389 828146736 /nfs/dbraw/zinc/14/67/36/828146736.db2.gz MPAKRDRWXDRJJL-QWHCGFSZSA-N 2 0 268.405 -0.358 20 0 CBADRP COC(=O)[C@H](C)C[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001276524215 828148194 /nfs/dbraw/zinc/14/81/94/828148194.db2.gz YXINRDKMNKHGHO-RDBSUJKOSA-N 2 0 299.415 -0.258 20 0 CBADRP COC(=O)[C@@H](C)C[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001276524212 828148341 /nfs/dbraw/zinc/14/83/41/828148341.db2.gz YXINRDKMNKHGHO-IHRRRGAJSA-N 2 0 299.415 -0.258 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001276642611 828153688 /nfs/dbraw/zinc/15/36/88/828153688.db2.gz QJLIERVXXITBNN-GHMZBOCLSA-N 2 0 268.361 -0.950 20 0 CBADRP COC(C[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C)OC ZINC001276645225 828154219 /nfs/dbraw/zinc/15/42/19/828154219.db2.gz ZIKRSICGJVAMIW-BETUJISGSA-N 2 0 287.404 -0.448 20 0 CBADRP C[C@H](CCC[NH2+]CC(N)=O)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001277299119 828181644 /nfs/dbraw/zinc/18/16/44/828181644.db2.gz MJNACKCGTNLZPG-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH+](C)CCNC(=S)N1CC2(CCN2CC[NH+](C)C)C1 ZINC001277451541 828188114 /nfs/dbraw/zinc/18/81/14/828188114.db2.gz FYUOAFVSTPXCPX-UHFFFAOYSA-N 2 0 299.488 -0.256 20 0 CBADRP NC(=O)[C@H]1COCCC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001277821912 828211946 /nfs/dbraw/zinc/21/19/46/828211946.db2.gz OHQMRWHXMKFQEE-GFCCVEGCSA-N 2 0 267.373 -0.190 20 0 CBADRP CC(=O)NCC[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001277910833 828217844 /nfs/dbraw/zinc/21/78/44/828217844.db2.gz XIZKLJQKISHBHK-UONOGXRCSA-N 2 0 268.405 -0.310 20 0 CBADRP CC(=O)NCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001277905746 828218132 /nfs/dbraw/zinc/21/81/32/828218132.db2.gz JSTAPHOAXFQZRI-CHWSQXEVSA-N 2 0 294.399 -0.735 20 0 CBADRP C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001277960075 828222085 /nfs/dbraw/zinc/22/20/85/828222085.db2.gz YXRMUNKYJCAQOP-SRVKXCTJSA-N 2 0 267.373 -0.491 20 0 CBADRP C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001277960074 828222723 /nfs/dbraw/zinc/22/27/23/828222723.db2.gz YXRMUNKYJCAQOP-QJPTWQEYSA-N 2 0 267.373 -0.491 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CCOCCO)C1 ZINC001277997813 828228613 /nfs/dbraw/zinc/22/86/13/828228613.db2.gz UEZWZCGDMJVBRL-KBPBESRZSA-N 2 0 299.415 -0.472 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCOCCO)C1 ZINC001277997816 828228703 /nfs/dbraw/zinc/22/87/03/828228703.db2.gz UEZWZCGDMJVBRL-ZIAGYGMSSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@H](CO)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001277999087 828229341 /nfs/dbraw/zinc/22/93/41/828229341.db2.gz YYADCHWPYDXBFD-MELADBBJSA-N 2 0 271.405 -0.439 20 0 CBADRP C[NH+]1CCC(C)(C[N@H+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)CC1 ZINC001278020896 828232142 /nfs/dbraw/zinc/23/21/42/828232142.db2.gz GRWSTLNFDWOXMG-WDEREUQCSA-N 2 0 280.372 -0.110 20 0 CBADRP CC[N@H+]1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001278159612 828254186 /nfs/dbraw/zinc/25/41/86/828254186.db2.gz RXEYWYGERYSFOJ-NWDGAFQWSA-N 2 0 280.372 -0.097 20 0 CBADRP COCCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001278766721 828285669 /nfs/dbraw/zinc/28/56/69/828285669.db2.gz MJNICGMCVOKHTG-DZGCQCFKSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001279509661 828328089 /nfs/dbraw/zinc/32/80/89/828328089.db2.gz LYGAPEHXPJKBIP-ZDUSSCGKSA-N 2 0 257.378 -0.099 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1C[C@]12C[C@H]1C[NH2+]C2 ZINC001347181863 890427864 /nfs/dbraw/zinc/42/78/64/890427864.db2.gz OXBQKCJRJVHGJS-GMXVVIOVSA-N 2 0 253.346 -0.567 20 0 CBADRP [NH3+][C@H]1CCCC[C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC001348943506 890731319 /nfs/dbraw/zinc/73/13/19/890731319.db2.gz MNBSQGLKCRCQTJ-QWRGUYRKSA-N 2 0 268.361 -0.948 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCC(=O)N1CC[NH2+]CC1 ZINC001349399161 890807492 /nfs/dbraw/zinc/80/74/92/890807492.db2.gz YIGPBNPFQQDPHJ-NTZNESFSSA-N 2 0 254.378 -0.606 20 0 CBADRP C[NH+](C)CCC(=O)NCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001349549418 890836629 /nfs/dbraw/zinc/83/66/29/890836629.db2.gz ABRMSDBBOHGQHD-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)=NO1 ZINC001351164434 891114133 /nfs/dbraw/zinc/11/41/33/891114133.db2.gz YEVUOGNIBKNGGI-AUTRQRHGSA-N 2 0 252.318 -0.570 20 0 CBADRP C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176564086 884704371 /nfs/dbraw/zinc/70/43/71/884704371.db2.gz LCWOURBHWRVETD-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1C[C@H]1CC[NH2+]C1 ZINC001326051598 884886850 /nfs/dbraw/zinc/88/68/50/884886850.db2.gz CQLKZXGUDIQFFJ-CABZTGNLSA-N 2 0 252.318 -0.730 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC[C@@H](C)[NH2+]C ZINC001326145794 884920227 /nfs/dbraw/zinc/92/02/27/884920227.db2.gz ASPHOZXHOWWPIV-VXGBXAGGSA-N 2 0 286.420 -0.053 20 0 CBADRP C[C@]1(CN2CCN([C@@H]3CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC001326237306 884954488 /nfs/dbraw/zinc/95/44/88/884954488.db2.gz VVNPBRHIQOTKIC-KGLIPLIRSA-N 2 0 252.406 -0.035 20 0 CBADRP CCN(C)C(=O)CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001326277436 884966999 /nfs/dbraw/zinc/96/69/99/884966999.db2.gz MEJIBDDLJVEBOO-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP C[NH2+]CC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001326627779 885095232 /nfs/dbraw/zinc/09/52/32/885095232.db2.gz RIWVKEQJANCXHX-UHFFFAOYSA-N 2 0 268.405 -0.308 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001326655415 885104252 /nfs/dbraw/zinc/10/42/52/885104252.db2.gz RFBCNZPGYLILEB-NEPJUHHUSA-N 2 0 256.394 -0.325 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001327450830 885357870 /nfs/dbraw/zinc/35/78/70/885357870.db2.gz XSHFVAJCOMIDOA-TZMCWYRMSA-N 2 0 268.405 -0.133 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cn(CC[NH3+])nn2)C1 ZINC001327563456 885406771 /nfs/dbraw/zinc/40/67/71/885406771.db2.gz SBSQSVFHWALDGG-VHSXEESVSA-N 2 0 266.349 -0.564 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CC1([NH3+])CC1 ZINC001327926798 885531745 /nfs/dbraw/zinc/53/17/45/885531745.db2.gz CFXLATFAVWMIKY-NSHDSACASA-N 2 0 254.378 -0.380 20 0 CBADRP [NH3+]Cc1cc(C(=O)N2CCOC3(C[NH2+]C3)C2)ccn1 ZINC001327967062 885544918 /nfs/dbraw/zinc/54/49/18/885544918.db2.gz FORHROFGJCPXQI-UHFFFAOYSA-N 2 0 262.313 -0.645 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)C[NH2+]C2CC2)CC1 ZINC001329251880 885982020 /nfs/dbraw/zinc/98/20/20/885982020.db2.gz FBIFPEPVNCXKNJ-UHFFFAOYSA-N 2 0 268.405 -0.118 20 0 CBADRP Cc1c(C(=O)NC[C@@H](C)[NH3+])nnn1C1CC[NH2+]CC1 ZINC001329328834 886020917 /nfs/dbraw/zinc/02/09/17/886020917.db2.gz GZQPCJFWLNHDQD-MRVPVSSYSA-N 2 0 266.349 -0.412 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC001329429079 886061809 /nfs/dbraw/zinc/06/18/09/886061809.db2.gz YOFFLTMRUBWRMM-RYUDHWBXSA-N 2 0 254.378 -0.536 20 0 CBADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001329565347 886124904 /nfs/dbraw/zinc/12/49/04/886124904.db2.gz ZHAPESWZTROXHB-ITGUQSILSA-N 2 0 267.373 -0.585 20 0 CBADRP Cn1cncc1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001329614943 886147031 /nfs/dbraw/zinc/14/70/31/886147031.db2.gz CGVUTMOOVIXCLC-CYBMUJFWSA-N 2 0 267.377 -0.882 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001329936087 886286164 /nfs/dbraw/zinc/28/61/64/886286164.db2.gz CIBIWBGLBSTSIO-BQBZGAKWSA-N 2 0 253.306 -0.760 20 0 CBADRP CN(CCOCC[NH3+])C(=O)c1ccnc(C[NH3+])c1 ZINC001330625513 886508526 /nfs/dbraw/zinc/50/85/26/886508526.db2.gz NWQHKSIHYRPLKD-UHFFFAOYSA-N 2 0 252.318 -0.412 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331199085 886725975 /nfs/dbraw/zinc/72/59/75/886725975.db2.gz YVAVTLGAGFWURW-SRVKXCTJSA-N 2 0 282.388 -0.750 20 0 CBADRP C[NH2+]C[C@H]1CCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC001332158047 887134475 /nfs/dbraw/zinc/13/44/75/887134475.db2.gz QPCIMAWACAMLPL-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP [NH3+]CCCC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC001332158125 887136987 /nfs/dbraw/zinc/13/69/87/887136987.db2.gz RNZIVXWVBPXOCN-JTQLQIEISA-N 2 0 256.350 -0.961 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC001332976548 887492011 /nfs/dbraw/zinc/49/20/11/887492011.db2.gz PSOQBTTZLFXPII-SNVBAGLBSA-N 2 0 263.345 -0.249 20 0 CBADRP CC(C)[N@H+](C)C[C@H](O)Cn1cc(COCC[NH3+])nn1 ZINC001333125515 887537715 /nfs/dbraw/zinc/53/77/15/887537715.db2.gz PKFGIDSTZYVIQW-LBPRGKRZSA-N 2 0 271.365 -0.546 20 0 CBADRP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)C1(O)C[NH2+]C1 ZINC001333220621 887564789 /nfs/dbraw/zinc/56/47/89/887564789.db2.gz NXDZEEPQZCWQTP-AEJSXWLSSA-N 2 0 253.346 -0.787 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NCCCC[NH3+])cn1 ZINC001333335679 887598251 /nfs/dbraw/zinc/59/82/51/887598251.db2.gz IBVQPKPIKTZNAJ-UHFFFAOYSA-N 2 0 253.350 -0.087 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC001334231425 887898222 /nfs/dbraw/zinc/89/82/22/887898222.db2.gz SZEMSQIONJKPRD-AXFHLTTASA-N 2 0 256.350 -0.911 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001334231006 887899250 /nfs/dbraw/zinc/89/92/50/887899250.db2.gz POCMEGZNWZNXIM-UMNHJUIQSA-N 2 0 256.350 -0.911 20 0 CBADRP COC(=O)[C@@H](O)C1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001334775284 888319629 /nfs/dbraw/zinc/31/96/29/888319629.db2.gz VDKQHXMRCFTFCE-WCQGTBRESA-N 2 0 256.346 -0.030 20 0 CBADRP CC(C)(C)[NH2+]CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001335330849 888503507 /nfs/dbraw/zinc/50/35/07/888503507.db2.gz YOBHAHHKQPDQNO-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP [NH3+]CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001335584645 888572921 /nfs/dbraw/zinc/57/29/21/888572921.db2.gz PZJJXDGJFIXFPP-RQJHMYQMSA-N 2 0 254.256 -0.134 20 0 CBADRP [NH3+]C[C@@H](NC(=O)NCCN1CCC([NH3+])CC1)C1CC1 ZINC001335586927 888573262 /nfs/dbraw/zinc/57/32/62/888573262.db2.gz FNGWPJMXZKXCTO-GFCCVEGCSA-N 2 0 269.393 -0.554 20 0 CBADRP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001335618812 888581943 /nfs/dbraw/zinc/58/19/43/888581943.db2.gz SJLIHLAUZBYLSW-NQBHXWOUSA-N 2 0 268.361 -0.502 20 0 CBADRP [NH3+]CC1(O)CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC001336093228 888692677 /nfs/dbraw/zinc/69/26/77/888692677.db2.gz FUODFLIYQOZAFA-STQMWFEESA-N 3 0 269.389 -0.459 20 0 CBADRP O[C@@H]1CC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@@H]1O ZINC001336279038 888734573 /nfs/dbraw/zinc/73/45/73/888734573.db2.gz YXEIHHRUGXQMMY-NDBYEHHHSA-N 2 0 256.346 -0.818 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001336741913 888865467 /nfs/dbraw/zinc/86/54/67/888865467.db2.gz JQXRHKANJZKHSU-TUAOUCFPSA-N 2 0 254.378 -0.382 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)N[C@@H]1[C@H]3C[NH2+]C[C@H]31)C2 ZINC001336923053 888923499 /nfs/dbraw/zinc/92/34/99/888923499.db2.gz NRFXTBLYNCVGLU-KTWSDMTRSA-N 2 0 250.346 -0.275 20 0 CBADRP C[C@@H]1CN(C(=O)NCCN2CCC([NH3+])CC2)C[C@H]1[NH3+] ZINC001336979255 888940730 /nfs/dbraw/zinc/94/07/30/888940730.db2.gz ZVTXBQINAZDEJS-ZYHUDNBSSA-N 2 0 269.393 -0.602 20 0 CBADRP C[C@H]1CN(C(=O)NCCN2CCC([NH3+])CC2)CC[NH2+]1 ZINC001338686050 889192184 /nfs/dbraw/zinc/19/21/84/889192184.db2.gz AMGFRPQUKOFUCI-NSHDSACASA-N 2 0 269.393 -0.587 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001339851761 889335089 /nfs/dbraw/zinc/33/50/89/889335089.db2.gz ATMSPVLGANTDJI-ZDUSSCGKSA-N 2 0 269.389 -0.241 20 0 CBADRP C[C@]1(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C[C@H](O)C[NH2+]1 ZINC001340182809 889406068 /nfs/dbraw/zinc/40/60/68/889406068.db2.gz NCUGIVBFHSEWBE-ACLDMZEESA-N 2 0 269.267 -0.505 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC001340282777 889416626 /nfs/dbraw/zinc/41/66/26/889416626.db2.gz PMJDOKKQGWYRJO-USZNOCQGSA-N 2 0 255.362 -0.003 20 0 CBADRP C[C@@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@H](O)C[NH2+]1 ZINC001340282151 889417587 /nfs/dbraw/zinc/41/75/87/889417587.db2.gz PEEGSVMXZLFVDO-NOHGZBONSA-N 2 0 253.346 -0.548 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)CC1 ZINC001340241827 889413510 /nfs/dbraw/zinc/41/35/10/889413510.db2.gz QQYHVEXMIOAJEX-XQHKEYJVSA-N 2 0 266.389 -0.667 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC001340477806 889435974 /nfs/dbraw/zinc/43/59/74/889435974.db2.gz PSFSKPVMXRJOER-FOGDFJRCSA-N 2 0 257.378 -0.211 20 0 CBADRP CC(C)(C[NH3+])CC(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001340727214 889473347 /nfs/dbraw/zinc/47/33/47/889473347.db2.gz MIERGDHFBWHZHR-LLVKDONJSA-N 2 0 257.378 -0.066 20 0 CBADRP Cc1nc2c(n1CCO)CC[C@@H](NC(=O)[C@@H](C)[NH3+])C2 ZINC001340666018 889461202 /nfs/dbraw/zinc/46/12/02/889461202.db2.gz CVCDHUVNZSYOLP-PSASIEDQSA-N 2 0 266.345 -0.495 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340786719 889486998 /nfs/dbraw/zinc/48/69/98/889486998.db2.gz OFXYTSNQLQVYEX-VIFPVBQESA-N 2 0 254.334 -0.391 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001340792657 889487136 /nfs/dbraw/zinc/48/71/36/889487136.db2.gz WOYUARHULGNWBS-LLVKDONJSA-N 2 0 255.362 -0.172 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)C1 ZINC001340739485 889475924 /nfs/dbraw/zinc/47/59/24/889475924.db2.gz UFHZSTYYDOIXQR-MPXOCVNLSA-N 2 0 251.330 -0.639 20 0 CBADRP C[NH+]1CCC(CNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001340839352 889495635 /nfs/dbraw/zinc/49/56/35/889495635.db2.gz PGTXSQQJIIRRGV-AAEUAGOBSA-N 2 0 255.362 -0.443 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC001340854259 889498560 /nfs/dbraw/zinc/49/85/60/889498560.db2.gz PYUNLROBVJKQBL-FVCCEPFGSA-N 2 0 267.373 -0.321 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001340865285 889501869 /nfs/dbraw/zinc/50/18/69/889501869.db2.gz HITYYLPZAZGNOY-VXGBXAGGSA-N 2 0 269.389 -0.195 20 0 CBADRP [NH3+][C@H](CO)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001340879382 889502699 /nfs/dbraw/zinc/50/26/99/889502699.db2.gz DYHWYVXKANLTLL-NWDGAFQWSA-N 2 0 255.362 -0.360 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001340907476 889508816 /nfs/dbraw/zinc/50/88/16/889508816.db2.gz QTTSIBXZPFYAPN-DGCLKSJQSA-N 2 0 269.389 -0.114 20 0 CBADRP [NH3+]Cc1nc(CC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC001340921197 889514063 /nfs/dbraw/zinc/51/40/63/889514063.db2.gz FYILTNGMVATENT-DTORHVGOSA-N 2 0 266.370 -0.178 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC001340942508 889520474 /nfs/dbraw/zinc/52/04/74/889520474.db2.gz MBEOSRXGBXDUHG-YNEHKIRRSA-N 2 0 266.389 -0.334 20 0 CBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@H]([NH3+])CO ZINC001340982170 889525465 /nfs/dbraw/zinc/52/54/65/889525465.db2.gz GBOLPGSWUZTKJF-ZYHUDNBSSA-N 2 0 264.329 -0.562 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001341014244 889532044 /nfs/dbraw/zinc/53/20/44/889532044.db2.gz JQUMAEFUYLYQFC-YRGRVCCFSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001341014221 889532347 /nfs/dbraw/zinc/53/23/47/889532347.db2.gz JQUMAEFUYLYQFC-BZPMIXESSA-N 2 0 269.389 -0.147 20 0 CBADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)CNCC[NH3+])CC1 ZINC001341114481 889546021 /nfs/dbraw/zinc/54/60/21/889546021.db2.gz KUUGJRIWMMYEKO-ZDUSSCGKSA-N 2 0 268.405 -0.229 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001341155120 889550605 /nfs/dbraw/zinc/55/06/05/889550605.db2.gz ZXUJWSFPXQETES-WRWGMCAJSA-N 2 0 255.362 -0.729 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001341237277 889563144 /nfs/dbraw/zinc/56/31/44/889563144.db2.gz NWSCAEZXMIQHLL-AXFHLTTASA-N 2 0 268.361 -0.902 20 0 CBADRP C[C@@]1(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@H](O)C[NH2+]1 ZINC001341271639 889567785 /nfs/dbraw/zinc/56/77/85/889567785.db2.gz JIDXDNUTZMRCJV-NOHGZBONSA-N 2 0 253.346 -0.833 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001341471417 889604177 /nfs/dbraw/zinc/60/41/77/889604177.db2.gz CRAGKZSWQNDMOJ-OUCADQQQSA-N 2 0 268.405 -0.325 20 0 CBADRP [NH3+][C@@H](CC(=O)N1CCC[C@@H]([NH2+]CCO)C1)C1CC1 ZINC001341477024 889604532 /nfs/dbraw/zinc/60/45/32/889604532.db2.gz JSNKJGFPKGSKIE-NEPJUHHUSA-N 2 0 255.362 -0.313 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001341526983 889615377 /nfs/dbraw/zinc/61/53/77/889615377.db2.gz SSQXFEYAWBRFCB-GFCCVEGCSA-N 2 0 254.334 -0.678 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)CC[NH2+]C1CC1 ZINC001341572778 889626954 /nfs/dbraw/zinc/62/69/54/889626954.db2.gz HGYLWXHCBHCFBD-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]([NH3+])C(C)(C)O ZINC001341571525 889623170 /nfs/dbraw/zinc/62/31/70/889623170.db2.gz PTJMNYAWHDDDFR-WDEREUQCSA-N 2 0 257.378 -0.115 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC001341641015 889638145 /nfs/dbraw/zinc/63/81/45/889638145.db2.gz VIWNHXWLHPJAQE-ZJUUUORDSA-N 2 0 277.315 -0.322 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001341663206 889642632 /nfs/dbraw/zinc/64/26/32/889642632.db2.gz QDJJHQUUQPVYQI-LOWVWBTDSA-N 2 0 269.389 -0.197 20 0 CBADRP C[C@@H](CNC(=O)[C@H]([NH3+])CO)[N@H+](C)Cc1ccccc1 ZINC001341701358 889652883 /nfs/dbraw/zinc/65/28/83/889652883.db2.gz POEBINAEEZNYOS-WCQYABFASA-N 2 0 265.357 -0.057 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]1)N1NC(=O)CC12CC[NH2+]CC2 ZINC001341779908 889663375 /nfs/dbraw/zinc/66/33/75/889663375.db2.gz HJJXVMHTEVYPHN-JTQLQIEISA-N 2 0 266.345 -0.486 20 0 CBADRP O=C([C@@H]1CCC[NH2+]1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001341822867 889668129 /nfs/dbraw/zinc/66/81/29/889668129.db2.gz DJYVXVLZKONYPA-LBPRGKRZSA-N 2 0 253.346 -0.282 20 0 CBADRP C[NH2+][C@@H](C)C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001341828774 889668754 /nfs/dbraw/zinc/66/87/54/889668754.db2.gz YTWYIJOMHABXCG-UWVGGRQHSA-N 2 0 269.345 -0.604 20 0 CBADRP O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCNCC[NH2+]CC1 ZINC001341836850 889670290 /nfs/dbraw/zinc/67/02/90/889670290.db2.gz AKNKRLQBYNSUGW-QWHCGFSZSA-N 2 0 266.389 -0.462 20 0 CBADRP C[C@]1(C(=O)N2CCC[C@@]([NH3+])(CO)C2)CCC[NH2+]C1 ZINC001341858983 889676705 /nfs/dbraw/zinc/67/67/05/889676705.db2.gz NPSHBJITQSPXBR-STQMWFEESA-N 2 0 255.362 -0.312 20 0 CBADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001443688699 912256723 /nfs/dbraw/zinc/25/67/23/912256723.db2.gz PKNBBYAWMCXTGV-IHRRRGAJSA-N 2 0 299.415 -0.379 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCN([C@@H]3CCNC3=O)C2)CC1 ZINC001443766014 912274694 /nfs/dbraw/zinc/27/46/94/912274694.db2.gz NQAMYNYGPAZMKJ-VXGBXAGGSA-N 2 0 294.399 -0.593 20 0 CBADRP COC1(C(=O)N2CCC3(C[NH2+]C3)CC2)CC[NH2+]CC1 ZINC001342071921 889707122 /nfs/dbraw/zinc/70/71/22/889707122.db2.gz ULGKZCJRCBTXMJ-UHFFFAOYSA-N 2 0 267.373 -0.033 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001342176729 889725116 /nfs/dbraw/zinc/72/51/16/889725116.db2.gz URAZDRADWKENAI-NOOOWODRSA-N 2 0 253.346 -0.548 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1[NH2+]CC12CCCC2 ZINC001342214882 889731718 /nfs/dbraw/zinc/73/17/18/889731718.db2.gz HTBLTTVCHDLPFG-QWRGUYRKSA-N 2 0 265.357 -0.234 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001342256556 889740524 /nfs/dbraw/zinc/74/05/24/889740524.db2.gz RWIPHNDRQHXIEL-STQMWFEESA-N 2 0 265.357 -0.405 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC001342256594 889741627 /nfs/dbraw/zinc/74/16/27/889741627.db2.gz SGHCQNQZFDPKMG-RYUDHWBXSA-N 2 0 251.330 -0.275 20 0 CBADRP [NH3+][C@H](CC(=O)N1NC(=O)C[C@]12CC[NH2+]C2)C1CC1 ZINC001342291848 889749176 /nfs/dbraw/zinc/74/91/76/889749176.db2.gz SPJSHILQRPRBII-SKDRFNHKSA-N 2 0 252.318 -0.891 20 0 CBADRP [NH3+][C@H](CC(=O)N1NC(=O)C[C@@]12CC[NH2+]C2)C1CC1 ZINC001342291844 889749874 /nfs/dbraw/zinc/74/98/74/889749874.db2.gz SPJSHILQRPRBII-BXKDBHETSA-N 2 0 252.318 -0.891 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001342392468 889767781 /nfs/dbraw/zinc/76/77/81/889767781.db2.gz OQCDWQAPQNESER-IEECTRCBSA-N 2 0 269.389 -0.150 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)[C@@H]3C[NH2+]CCO3)[C@H]2C1 ZINC001342816831 889831922 /nfs/dbraw/zinc/83/19/22/889831922.db2.gz QGLAOGLRPZUICZ-YFKTTZPYSA-N 2 0 253.346 -0.569 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3C[NH2+]CCO3)[C@@H]2C1 ZINC001342816830 889832764 /nfs/dbraw/zinc/83/27/64/889832764.db2.gz QGLAOGLRPZUICZ-USZNOCQGSA-N 2 0 253.346 -0.569 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CC1(C)C ZINC001343181930 889876918 /nfs/dbraw/zinc/87/69/18/889876918.db2.gz UANFGVWSCGYNON-WDEREUQCSA-N 2 0 255.362 -0.321 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001343394437 889899362 /nfs/dbraw/zinc/89/93/62/889899362.db2.gz ZEMBQFDNPNOUBB-WCQYABFASA-N 2 0 255.362 -0.441 20 0 CBADRP CC[NH+](CC)CCN(CCOC)C(=O)[C@H]([NH3+])CO ZINC001343423922 889907528 /nfs/dbraw/zinc/90/75/28/889907528.db2.gz OBJPSPKPLPMURT-LLVKDONJSA-N 2 0 261.366 -0.877 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001343472020 889915506 /nfs/dbraw/zinc/91/55/06/889915506.db2.gz CBHFNSHFIXOXPH-MDZLAQPJSA-N 2 0 255.362 -0.123 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001343474316 889915660 /nfs/dbraw/zinc/91/56/60/889915660.db2.gz VGAGYAFVZJWHRT-STQMWFEESA-N 2 0 285.388 -0.720 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001343486932 889918962 /nfs/dbraw/zinc/91/89/62/889918962.db2.gz ORWHGPRVZGAPAV-JSGCOSHPSA-N 2 0 266.389 -0.508 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001343484929 889919118 /nfs/dbraw/zinc/91/91/18/889919118.db2.gz BHVZVMCJFAKVCO-TUAOUCFPSA-N 2 0 282.388 -0.608 20 0 CBADRP CN(C(=O)COC1CC[NH+](C)CC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001343578961 889935702 /nfs/dbraw/zinc/93/57/02/889935702.db2.gz ZUVWWUQENRATEH-IMRBUKKESA-N 2 0 267.373 -0.227 20 0 CBADRP COC[C@@]1(C(=O)NCCC[NH2+]C2CC2)CC[NH2+]C1 ZINC001343738951 889960508 /nfs/dbraw/zinc/96/05/08/889960508.db2.gz MAVRSEUWBLCRNH-CYBMUJFWSA-N 2 0 255.362 -0.129 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCCC[C@]12CCC[NH2+]C2 ZINC001343763669 889962910 /nfs/dbraw/zinc/96/29/10/889962910.db2.gz FGXUEIHSIVDSPF-DGCLKSJQSA-N 2 0 255.362 -0.169 20 0 CBADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH2+]CC(N)=O ZINC001444377285 912438537 /nfs/dbraw/zinc/43/85/37/912438537.db2.gz OZUZHSVNRSCUNF-WDEREUQCSA-N 2 0 270.377 -0.845 20 0 CBADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH2+]CC(N)=O ZINC001444377284 912439629 /nfs/dbraw/zinc/43/96/29/912439629.db2.gz OZUZHSVNRSCUNF-QWRGUYRKSA-N 2 0 270.377 -0.845 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1ncnn1C ZINC001444414332 912447715 /nfs/dbraw/zinc/44/77/15/912447715.db2.gz ZZSASJFGEYBDDS-GFCCVEGCSA-N 2 0 294.403 -0.247 20 0 CBADRP CCN1CC[C@H]([NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001444377660 912440707 /nfs/dbraw/zinc/44/07/07/912440707.db2.gz GYCODDGWCYJVJI-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001444409062 912443378 /nfs/dbraw/zinc/44/33/78/912443378.db2.gz OGXCHVNXBLFYRV-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001444409066 912444432 /nfs/dbraw/zinc/44/44/32/912444432.db2.gz OGXCHVNXBLFYRV-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CN1C(=O)CC[NH+](C)C ZINC001444449545 912452906 /nfs/dbraw/zinc/45/29/06/912452906.db2.gz JKIKPDFLTGLTQD-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP [NH3+]CCNCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001344730951 890054642 /nfs/dbraw/zinc/05/46/42/890054642.db2.gz JEYOJZPEKCIFRY-SFYZADRCSA-N 2 0 268.283 -0.727 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001444675179 912490083 /nfs/dbraw/zinc/49/00/83/912490083.db2.gz WZCVODXNQTWFSP-LBPRGKRZSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC(N)=O ZINC001444796051 912503680 /nfs/dbraw/zinc/50/36/80/912503680.db2.gz ZEEBXQDXGGQHRE-QWRGUYRKSA-N 2 0 270.377 -0.750 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001444824776 912508350 /nfs/dbraw/zinc/50/83/50/912508350.db2.gz VQWHYYTTYAVJTB-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC001345812669 890170022 /nfs/dbraw/zinc/17/00/22/890170022.db2.gz PBGAFXDEDLFBSN-LLVKDONJSA-N 2 0 268.361 -0.935 20 0 CBADRP C[NH2+][C@@H](C(=O)N1CC[C@@](C)(C[NH3+])C1)c1cnn(C)c1 ZINC001346028355 890197894 /nfs/dbraw/zinc/19/78/94/890197894.db2.gz FYSGMLLCFCYIDK-YPMHNXCESA-N 2 0 265.361 -0.122 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)COCC[NH3+])CC1 ZINC001346321017 890267833 /nfs/dbraw/zinc/26/78/33/890267833.db2.gz SETGSTRLOUUURL-UHFFFAOYSA-N 2 0 259.350 -0.811 20 0 CBADRP CO[C@@H](C)C[NH2+]C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001445200540 912599285 /nfs/dbraw/zinc/59/92/85/912599285.db2.gz UBPQEMCDNXFBNS-RYUDHWBXSA-N 2 0 287.404 -0.428 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCNCC[NH2+]CC1 ZINC001346501403 890309140 /nfs/dbraw/zinc/30/91/40/890309140.db2.gz OAPGCZNFMWKGKB-GHMZBOCLSA-N 2 0 257.382 -0.683 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001346609335 890330120 /nfs/dbraw/zinc/33/01/20/890330120.db2.gz OXSMJJTZVGOCRE-NNYUYHANSA-N 2 0 252.362 -0.025 20 0 CBADRP C[C@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)[C@H]1CCO ZINC001347144812 890415288 /nfs/dbraw/zinc/41/52/88/890415288.db2.gz BJUPCLCWTJLGBC-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@@H]1CCO[C@H]1C[NH3+])C(F)F ZINC001347156722 890418417 /nfs/dbraw/zinc/41/84/17/890418417.db2.gz CDIRVXKFTVPLSB-CSMHCCOUSA-N 2 0 251.277 -0.551 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)CCC[NH+](C)C ZINC001445434187 912667066 /nfs/dbraw/zinc/66/70/66/912667066.db2.gz FOCJWEORKXVDSO-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)C[NH+]1CCCC1 ZINC001445502272 912679411 /nfs/dbraw/zinc/67/94/11/912679411.db2.gz QBAWYWHEFJVGQQ-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001091100319 884648560 /nfs/dbraw/zinc/64/85/60/884648560.db2.gz PQTGOENBHYRSRP-MCIGGMRASA-N 2 0 282.388 -0.560 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001446255351 912852119 /nfs/dbraw/zinc/85/21/19/912852119.db2.gz CWRLRRLFIIANRA-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001188158696 884720626 /nfs/dbraw/zinc/72/06/26/884720626.db2.gz VDGBOBVIDWPAJF-CHWSQXEVSA-N 2 0 298.431 -0.006 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001188158333 884721522 /nfs/dbraw/zinc/72/15/22/884721522.db2.gz LLSJEPZSXQCXSK-NWDGAFQWSA-N 2 0 257.378 -0.102 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001446280317 912855735 /nfs/dbraw/zinc/85/57/35/912855735.db2.gz WONHLYFBUIMWEE-WDEREUQCSA-N 2 0 282.388 -0.689 20 0 CBADRP CCOC(=O)[C@H]1C[NH2+]CCN1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001211354143 884770498 /nfs/dbraw/zinc/77/04/98/884770498.db2.gz IZRSWCCOBOEIQU-NWDGAFQWSA-N 2 0 285.388 -0.062 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001211354144 884772787 /nfs/dbraw/zinc/77/27/87/884772787.db2.gz IZRSWCCOBOEIQU-RYUDHWBXSA-N 2 0 285.388 -0.062 20 0 CBADRP CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416552 884776217 /nfs/dbraw/zinc/77/62/17/884776217.db2.gz PKMAHYLJMJLIAO-MRVWCRGKSA-N 2 0 299.415 -0.333 20 0 CBADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219796231 884792294 /nfs/dbraw/zinc/79/22/94/884792294.db2.gz RVITUIIOHWSZEO-FICVDOATSA-N 3 0 292.427 -0.216 20 0 CBADRP [NH3+]C1(C(=O)NC2CC[NH+](C3CC[NH2+]CC3)CC2)CC1 ZINC001219794196 884792439 /nfs/dbraw/zinc/79/24/39/884792439.db2.gz UBYSXKGQOSDRII-UHFFFAOYSA-N 3 0 266.389 -0.190 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)nn1 ZINC001326061192 884892717 /nfs/dbraw/zinc/89/27/17/884892717.db2.gz ACOUGFFJNNVXOD-RYUDHWBXSA-N 2 0 292.387 -0.159 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)c1cn(CCCC[NH3+])nn1 ZINC001326087691 884903038 /nfs/dbraw/zinc/90/30/38/884903038.db2.gz MNQPBFCDFKTBAK-SECBINFHSA-N 2 0 254.338 -0.516 20 0 CBADRP C[C@H](O)C[NH2+]CCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001326135630 884918529 /nfs/dbraw/zinc/91/85/29/884918529.db2.gz XZBMZDOXGINPND-STQMWFEESA-N 2 0 287.404 -0.881 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC001326149198 884923000 /nfs/dbraw/zinc/92/30/00/884923000.db2.gz FPQUJTMSBHMAEK-RKDXNWHRSA-N 2 0 254.338 -0.518 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(CCO)CC[NH2+]CCO ZINC001326149245 884923018 /nfs/dbraw/zinc/92/30/18/884923018.db2.gz UPRZCZUMLVUJLX-ZDUSSCGKSA-N 2 0 287.404 -0.736 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCC2(CC[NH2+]2)CC1 ZINC001326180386 884934348 /nfs/dbraw/zinc/93/43/48/884934348.db2.gz PEVMHVGFAZKMED-LLVKDONJSA-N 2 0 253.346 -0.281 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCC(C[NH3+])CC2)C1 ZINC001326187846 884937455 /nfs/dbraw/zinc/93/74/55/884937455.db2.gz KYDFCTIEGQXYAT-CYBMUJFWSA-N 3 0 268.405 -0.146 20 0 CBADRP NC(=O)Cn1cc(C[NH2+]CCCCCC[NH3+])nn1 ZINC001326202518 884941412 /nfs/dbraw/zinc/94/14/12/884941412.db2.gz RDCPWIQDAXUWCU-UHFFFAOYSA-N 2 0 254.338 -0.628 20 0 CBADRP [NH3+]CCCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001326261621 884962028 /nfs/dbraw/zinc/96/20/28/884962028.db2.gz SVLODQCISXDCJM-VIFPVBQESA-N 2 0 252.322 -0.719 20 0 CBADRP CS(=O)(=O)C1(C(=O)NCC[NH2+]C2CC2)CC[NH2+]CC1 ZINC001326275674 884963986 /nfs/dbraw/zinc/96/39/86/884963986.db2.gz LVYBNQSZFNHCKP-UHFFFAOYSA-N 2 0 289.401 -0.979 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001326297574 884975179 /nfs/dbraw/zinc/97/51/79/884975179.db2.gz CJOXACQBDZZSRU-ZDUSSCGKSA-N 2 0 270.421 -0.014 20 0 CBADRP C[NH2+]C[C@H]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC001326309584 884978852 /nfs/dbraw/zinc/97/88/52/884978852.db2.gz OMMSXUVMVKILKA-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH2+]C[C@H]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC001326309588 884980563 /nfs/dbraw/zinc/98/05/63/884980563.db2.gz OMMSXUVMVKILKA-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP [NH3+]CCOCC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC001326325309 884988234 /nfs/dbraw/zinc/98/82/34/884988234.db2.gz OXOLYJCEUPKZEC-TZMCWYRMSA-N 2 0 285.388 -0.293 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001326325322 884990415 /nfs/dbraw/zinc/99/04/15/884990415.db2.gz PBLJJFNMLWEQJG-VIFPVBQESA-N 2 0 266.349 -0.330 20 0 CBADRP C[C@@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC[C@H]1[NH3+] ZINC001326370400 885008157 /nfs/dbraw/zinc/00/81/57/885008157.db2.gz VHTLMTVTTHMTBR-PSASIEDQSA-N 2 0 263.345 -0.135 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001446458694 912889639 /nfs/dbraw/zinc/88/96/39/912889639.db2.gz GDYDTDDHLJZBMF-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001446465395 912890748 /nfs/dbraw/zinc/89/07/48/912890748.db2.gz YUVWVORENOYUIJ-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP O=C(NCc1nc([C@@H]2CCC[NH2+]2)no1)[C@H]1CCC[NH2+]1 ZINC001326487210 885046552 /nfs/dbraw/zinc/04/65/52/885046552.db2.gz SYFMBUFSJFWQIZ-DTWKUNHWSA-N 2 0 265.317 -0.138 20 0 CBADRP C[NH2+]C1CC[NH+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC001326503286 885049254 /nfs/dbraw/zinc/04/92/54/885049254.db2.gz QXQCUSMNNOMTEH-GFCCVEGCSA-N 2 0 268.405 -0.133 20 0 CBADRP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCC[NH2+]CC1 ZINC001326568208 885067345 /nfs/dbraw/zinc/06/73/45/885067345.db2.gz WYUAAOFRHIWYTO-JTQLQIEISA-N 2 0 263.345 -0.078 20 0 CBADRP CN(C(=O)[C@@H](N)CC[NH+](C)C)C1CCC([NH3+])CC1 ZINC001326576060 885070444 /nfs/dbraw/zinc/07/04/44/885070444.db2.gz AYBKVSSYEOTDOB-MCIGGMRASA-N 2 0 256.394 -0.006 20 0 CBADRP CC[NH2+]CCCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC001326570166 885071373 /nfs/dbraw/zinc/07/13/73/885071373.db2.gz IZHAJPDDLJXAGY-UHFFFAOYSA-N 2 0 291.417 -0.731 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001326578959 885072971 /nfs/dbraw/zinc/07/29/71/885072971.db2.gz WAGHXJYOAFVGHC-LBPRGKRZSA-N 2 0 268.405 -0.133 20 0 CBADRP CC(C)(C)C[N@H+](CCO)CC(=O)N1CC[NH2+]CC1 ZINC001326583045 885073687 /nfs/dbraw/zinc/07/36/87/885073687.db2.gz BKCDEOCNKNTCJT-UHFFFAOYSA-N 2 0 257.378 -0.241 20 0 CBADRP CN1CC[NH+](CCCC[NH2+]CCC(=O)NC(N)=O)CC1 ZINC001326585285 885078433 /nfs/dbraw/zinc/07/84/33/885078433.db2.gz XRLOKYCCRRTFHD-UHFFFAOYSA-N 2 0 285.392 -0.811 20 0 CBADRP CC(C)([NH3+])c1noc(CN2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC001326596690 885079884 /nfs/dbraw/zinc/07/98/84/885079884.db2.gz YZOLNUKQDKJMME-NSHDSACASA-N 2 0 294.403 -0.257 20 0 CBADRP NC(=O)CC[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001326600303 885080072 /nfs/dbraw/zinc/08/00/72/885080072.db2.gz VKGLSHQUUVTLJQ-NWDGAFQWSA-N 2 0 255.362 -0.171 20 0 CBADRP C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C1=CC[N@H+](C)CC1 ZINC001326596796 885082955 /nfs/dbraw/zinc/08/29/55/885082955.db2.gz NWCRZZFUWUEBDI-GOEBONIOSA-N 3 0 296.459 -0.165 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001326655418 885104631 /nfs/dbraw/zinc/10/46/31/885104631.db2.gz RFBCNZPGYLILEB-VXGBXAGGSA-N 2 0 256.394 -0.325 20 0 CBADRP C[NH2+]C[C@@](C)(O)CN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001326800597 885152540 /nfs/dbraw/zinc/15/25/40/885152540.db2.gz MHYWVNWLSKAYJV-YNEHKIRRSA-N 2 0 267.377 -0.883 20 0 CBADRP C[NH2+]C[C@](C)(O)CN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001326800595 885153769 /nfs/dbraw/zinc/15/37/69/885153769.db2.gz MHYWVNWLSKAYJV-XQQFMLRXSA-N 2 0 267.377 -0.883 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](C(=O)NC2CC2)C1 ZINC001326800758 885154377 /nfs/dbraw/zinc/15/43/77/885154377.db2.gz OYKOIDPBTZSRGV-SMDDNHRTSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC001326844795 885170876 /nfs/dbraw/zinc/17/08/76/885170876.db2.gz GEWCEAWYJORYCE-KLPPZKSPSA-N 2 0 282.388 -0.689 20 0 CBADRP [NH3+]Cc1ccc(C(=O)N2CCCO[C@H](C[NH3+])C2)o1 ZINC001326938767 885196879 /nfs/dbraw/zinc/19/68/79/885196879.db2.gz SXSIMEVEJRIHMI-SNVBAGLBSA-N 2 0 253.302 -0.072 20 0 CBADRP [NH3+]CCCOC1CCN(C(=O)COCC[NH3+])CC1 ZINC001327072699 885244695 /nfs/dbraw/zinc/24/46/95/885244695.db2.gz RUPRREZMJOJFNA-UHFFFAOYSA-N 2 0 259.350 -0.682 20 0 CBADRP O=C(C[N@H+](C[C@@H]1CCOC1)C1CC1)N1CC[NH2+]CC1 ZINC001327087281 885252849 /nfs/dbraw/zinc/25/28/49/885252849.db2.gz LNVABCDZQSAFRN-LBPRGKRZSA-N 2 0 267.373 -0.081 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC001327196907 885283542 /nfs/dbraw/zinc/28/35/42/885283542.db2.gz YXGAJOZSUPXZTE-GRYCIOLGSA-N 2 0 255.362 -0.036 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC001327196908 885285981 /nfs/dbraw/zinc/28/59/81/885285981.db2.gz YXGAJOZSUPXZTE-SDDRHHMPSA-N 2 0 255.362 -0.036 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)C1 ZINC001327230360 885294862 /nfs/dbraw/zinc/29/48/62/885294862.db2.gz HOWLOGPGTADDMR-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001327501402 885378447 /nfs/dbraw/zinc/37/84/47/885378447.db2.gz XKKJBAJSINLAOG-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC001327522038 885389163 /nfs/dbraw/zinc/38/91/63/885389163.db2.gz YTDHRVPEZXBYDC-GRYCIOLGSA-N 2 0 296.415 -0.158 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(C[C@H]3C[NH2+]CCO3)CC2)C1 ZINC001327562203 885408203 /nfs/dbraw/zinc/40/82/03/885408203.db2.gz JXFBYLVKPPUMJK-LSDHHAIUSA-N 2 0 282.432 -0.313 20 0 CBADRP C([C@@H]1CCC2(C[NH2+]C2)O1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001327564063 885408466 /nfs/dbraw/zinc/40/84/66/885408466.db2.gz WESZHRXQGUSANW-KBPBESRZSA-N 2 0 280.416 -0.513 20 0 CBADRP C([C@H]1CCC2(C[NH2+]C2)O1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001327564065 885408568 /nfs/dbraw/zinc/40/85/68/885408568.db2.gz WESZHRXQGUSANW-UONOGXRCSA-N 2 0 280.416 -0.513 20 0 CBADRP C[C@@]12COC[C@H]1C[N@H+](CC(=O)N1CC[NH2+]CC1)C2 ZINC001327560823 885408923 /nfs/dbraw/zinc/40/89/23/885408923.db2.gz AFDTYKKKARXVGF-DGCLKSJQSA-N 2 0 253.346 -0.614 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cn(CC[NH3+])nn2)C1 ZINC001327563459 885409032 /nfs/dbraw/zinc/40/90/32/885409032.db2.gz SBSQSVFHWALDGG-ZJUUUORDSA-N 2 0 266.349 -0.564 20 0 CBADRP C[C@H](C[NH3+])C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001327579055 885413103 /nfs/dbraw/zinc/41/31/03/885413103.db2.gz MGEVMTRLQZRDIS-ZYHUDNBSSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]([NH3+])C2CCC2)n1 ZINC001327578653 885413305 /nfs/dbraw/zinc/41/33/05/885413305.db2.gz JPUZXBQGWYPFRU-LLVKDONJSA-N 2 0 265.317 -0.616 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]CCCO)C1 ZINC001327581379 885413743 /nfs/dbraw/zinc/41/37/43/885413743.db2.gz PATINACOKDLARH-HIFRSBDPSA-N 2 0 299.415 -0.594 20 0 CBADRP CC(C)C[NH2+]CC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001327582837 885414698 /nfs/dbraw/zinc/41/46/98/885414698.db2.gz HXDLVBKQNZCLTF-UHFFFAOYSA-N 2 0 267.333 -0.497 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)c1cn(CC[NH3+])nn1 ZINC001327597273 885422409 /nfs/dbraw/zinc/42/24/09/885422409.db2.gz PSEPKCOQPVGHTK-SECBINFHSA-N 2 0 252.322 -0.939 20 0 CBADRP C[NH2+]CCCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001327598218 885423037 /nfs/dbraw/zinc/42/30/37/885423037.db2.gz ZWMKIYGANRTWHW-LLVKDONJSA-N 2 0 280.376 -0.068 20 0 CBADRP NC(=O)CN1CCC[C@@H](NC(=O)[C@H]2CCC[C@H]2[NH3+])C1 ZINC001327602253 885425304 /nfs/dbraw/zinc/42/53/04/885425304.db2.gz WUDINWIXFVZUCB-OUAUKWLOSA-N 2 0 268.361 -0.820 20 0 CBADRP COC[C@@H](CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)OC ZINC001327628132 885434923 /nfs/dbraw/zinc/43/49/23/885434923.db2.gz ARMGDEKHXGPUTA-ZIAGYGMSSA-N 2 0 289.420 -0.764 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@@]2(O)CC[N@H+](CCCO)C2)CCC1 ZINC001446758087 912938435 /nfs/dbraw/zinc/93/84/35/912938435.db2.gz MVRNWFKPGPGCSB-AWEZNQCLSA-N 2 0 299.415 -0.594 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C[C@H]2CCC[NH2+]2)n1 ZINC001327926846 885531912 /nfs/dbraw/zinc/53/19/12/885531912.db2.gz CXXXCLCBCJXRBJ-MRVPVSSYSA-N 2 0 265.317 -0.601 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC001327952352 885538030 /nfs/dbraw/zinc/53/80/30/885538030.db2.gz REDBTQZRIQWNJU-STQMWFEESA-N 2 0 257.378 -0.637 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCCOC2)CC1 ZINC001327994020 885550297 /nfs/dbraw/zinc/55/02/97/885550297.db2.gz ZFSADXHSZRNGLE-OLZOCXBDSA-N 2 0 257.378 -0.637 20 0 CBADRP O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1C[C@H]1CCC[NH2+]C1 ZINC001328189394 885594701 /nfs/dbraw/zinc/59/47/01/885594701.db2.gz FVKIMSZCGJTVGQ-GXFFZTMASA-N 2 0 266.345 -0.340 20 0 CBADRP O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1C[C@H]1CCC[NH2+]C1 ZINC001328189393 885595136 /nfs/dbraw/zinc/59/51/36/885595136.db2.gz FVKIMSZCGJTVGQ-GWCFXTLKSA-N 2 0 266.345 -0.340 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NC[C@@H]([NH3+])C2CC2)nn1 ZINC001328236413 885610854 /nfs/dbraw/zinc/61/08/54/885610854.db2.gz PHFGAOFHDLSRAM-SECBINFHSA-N 2 0 252.322 -0.906 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001328318642 885632440 /nfs/dbraw/zinc/63/24/40/885632440.db2.gz YRDPWDJQYWBSBK-OCCSQVGLSA-N 2 0 285.388 -0.423 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)nn1 ZINC001328332016 885638843 /nfs/dbraw/zinc/63/88/43/885638843.db2.gz HIVVOTCWMLUPGL-VHSXEESVSA-N 2 0 266.349 -0.516 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001328334007 885639460 /nfs/dbraw/zinc/63/94/60/885639460.db2.gz YZQMQPHDAPXWEQ-VWYCJHECSA-N 2 0 268.361 -0.902 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001328412262 885677705 /nfs/dbraw/zinc/67/77/05/885677705.db2.gz HTTJRBMDNHSROE-RWMBFGLXSA-N 3 0 266.389 -0.665 20 0 CBADRP C[C@@H](CCCCO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001328414083 885679063 /nfs/dbraw/zinc/67/90/63/885679063.db2.gz ZJYXRHHXULITMN-UONOGXRCSA-N 2 0 273.421 -0.265 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC001328454348 885692799 /nfs/dbraw/zinc/69/27/99/885692799.db2.gz HCHSJHFVCGPMQS-OLZOCXBDSA-N 2 0 285.388 -0.423 20 0 CBADRP O=C(CC[C@@H]1CC[NH2+]C1)N1CCOC2(C[NH2+]C2)C1 ZINC001328506224 885713349 /nfs/dbraw/zinc/71/33/49/885713349.db2.gz BJZNQIAKAONLJY-LLVKDONJSA-N 2 0 253.346 -0.423 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC001328524393 885714903 /nfs/dbraw/zinc/71/49/03/885714903.db2.gz JKYOEAKKCKRVSX-AGIUHOORSA-N 2 0 267.373 -0.083 20 0 CBADRP C[C@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)[C@@H]1CC[NH3+] ZINC001328728858 885794194 /nfs/dbraw/zinc/79/41/94/885794194.db2.gz ALAFZLHQOWZLPM-QWHCGFSZSA-N 3 0 268.405 -0.133 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC001328845749 885829862 /nfs/dbraw/zinc/82/98/62/885829862.db2.gz DMZOMQDYWJWTKZ-VXGBXAGGSA-N 2 0 267.373 -0.171 20 0 CBADRP [NH3+][C@@]12CCC[C@H]1CN(CC(=O)N1CC[NH2+]CC1)C2 ZINC001328944263 885853140 /nfs/dbraw/zinc/85/31/40/885853140.db2.gz PFNOKFCEUNGZQP-WCQYABFASA-N 2 0 252.362 -0.769 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001328972236 885864770 /nfs/dbraw/zinc/86/47/70/885864770.db2.gz JCKZMKMFWDFKKY-UHFFFAOYSA-N 2 0 256.350 -0.996 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2ccncc2)CC1 ZINC001329134339 885945341 /nfs/dbraw/zinc/94/53/41/885945341.db2.gz IYBVHOLFTWOFEH-OAHLLOKOSA-N 2 0 278.400 -0.178 20 0 CBADRP C[C@@H](C[NH2+]CCC(=O)NC(N)=O)CN1CC[NH+](C)CC1 ZINC001329142424 885949631 /nfs/dbraw/zinc/94/96/31/885949631.db2.gz QBJDBBYWFSZYPO-NSHDSACASA-N 2 0 285.392 -0.956 20 0 CBADRP c1c(C[C@H]2CC[NH2+]C2)nnn1C[C@@H]1C[NH2+]CCO1 ZINC001329244865 885977883 /nfs/dbraw/zinc/97/78/83/885977883.db2.gz FUCUWHBZUKKGBD-PWSUYJOCSA-N 2 0 251.334 -0.582 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)NCCC[NH+]1CCC(O)CC1 ZINC001329283602 885997035 /nfs/dbraw/zinc/99/70/35/885997035.db2.gz LMPQCLPBUJMCEC-ZDUSSCGKSA-N 2 0 285.388 -0.672 20 0 CBADRP C[C@@]1(C[NH3+])CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001329333003 886021037 /nfs/dbraw/zinc/02/10/37/886021037.db2.gz PNKDFUIWKYBZBM-MFKMUULPSA-N 2 0 268.361 -0.948 20 0 CBADRP C[NH2+]CCOCCNC(=O)NC1(C[NH3+])CCOCC1 ZINC001329434581 886065945 /nfs/dbraw/zinc/06/59/45/886065945.db2.gz WOQSJFWOZKAINX-UHFFFAOYSA-N 2 0 274.365 -0.971 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001329446832 886073628 /nfs/dbraw/zinc/07/36/28/886073628.db2.gz KJPHQVAQAJYHLF-WDEREUQCSA-N 2 0 282.388 -0.608 20 0 CBADRP [NH3+]CCN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001329499013 886095530 /nfs/dbraw/zinc/09/55/30/886095530.db2.gz LJDGWALLHMHEJG-VXGBXAGGSA-N 2 0 267.377 -0.835 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001329499078 886096052 /nfs/dbraw/zinc/09/60/52/886096052.db2.gz NFZAKDPXROFWRY-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001329592710 886133166 /nfs/dbraw/zinc/13/31/66/886133166.db2.gz DELQOBGZYFDEHV-GMTAPVOTSA-N 2 0 268.361 -0.902 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC001329594311 886133333 /nfs/dbraw/zinc/13/33/33/886133333.db2.gz WTIYTGNLSRSWHC-LPEHRKFASA-N 2 0 263.345 -0.046 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC001329594310 886135188 /nfs/dbraw/zinc/13/51/88/886135188.db2.gz WTIYTGNLSRSWHC-BBBLOLIVSA-N 2 0 263.345 -0.046 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CCCO ZINC001329613565 886144351 /nfs/dbraw/zinc/14/43/51/886144351.db2.gz PCDDNHKDGSWCMB-NEPJUHHUSA-N 2 0 257.378 -0.243 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC001329651440 886161318 /nfs/dbraw/zinc/16/13/18/886161318.db2.gz JFFPEZCEFREQKM-SBFPOUOMSA-N 2 0 253.346 -0.392 20 0 CBADRP CC(C)(CCC[NH3+])NC(=O)c1cn(CC[NH3+])nn1 ZINC001329809072 886219629 /nfs/dbraw/zinc/21/96/29/886219629.db2.gz KMGKAFLPVMRYDD-UHFFFAOYSA-N 2 0 254.338 -0.516 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001329843750 886235964 /nfs/dbraw/zinc/23/59/64/886235964.db2.gz RVHBECWIBAHLBN-RYUDHWBXSA-N 2 0 280.372 -0.839 20 0 CBADRP O=C1CCC2=C(CC[N@H+](CCN3CC[NH2+]CC3)C2)N1 ZINC001329925697 886283454 /nfs/dbraw/zinc/28/34/54/886283454.db2.gz MOMDXDCHHVJHAM-UHFFFAOYSA-N 2 0 264.373 -0.239 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001329936090 886287981 /nfs/dbraw/zinc/28/79/81/886287981.db2.gz CIBIWBGLBSTSIO-RNFRBKRXSA-N 2 0 253.306 -0.760 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NCCC[NH+]2CCC(O)CC2)=NO1 ZINC001329938916 886292850 /nfs/dbraw/zinc/29/28/50/886292850.db2.gz XVXIXCJKHWMYLR-NSHDSACASA-N 2 0 284.360 -0.947 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)CC2([NH3+])CC2)n1 ZINC001329946608 886293583 /nfs/dbraw/zinc/29/35/83/886293583.db2.gz VRZHQHPUDSVRKG-UHFFFAOYSA-N 2 0 251.290 -0.862 20 0 CBADRP C(N1CCN([C@H]2CC[NH2+]C2)CC1)[C@]12C[C@H]1C[NH2+]C2 ZINC001329977454 886310489 /nfs/dbraw/zinc/31/04/89/886310489.db2.gz UKKOBYFLFJGBOZ-MELADBBJSA-N 2 0 250.390 -0.425 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@@H](C)C[NH2+]C ZINC001330002612 886319090 /nfs/dbraw/zinc/31/90/90/886319090.db2.gz FNGHBCIKBBCUNK-NSHDSACASA-N 2 0 260.382 -0.281 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001330024307 886331264 /nfs/dbraw/zinc/33/12/64/886331264.db2.gz PAHRZSDSFFWSOI-QJPTWQEYSA-N 2 0 280.372 -0.793 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001330057299 886340662 /nfs/dbraw/zinc/34/06/62/886340662.db2.gz OPAHMSDIVWIPFG-SDDRHHMPSA-N 2 0 282.388 -0.737 20 0 CBADRP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](C[C@H](C)O)C1 ZINC001330073412 886348519 /nfs/dbraw/zinc/34/85/19/886348519.db2.gz CCZPZXJFTKHJND-NWDGAFQWSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H](O)C[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001330073414 886348798 /nfs/dbraw/zinc/34/87/98/886348798.db2.gz CCZPZXJFTKHJND-RYUDHWBXSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001330518731 886464988 /nfs/dbraw/zinc/46/49/88/886464988.db2.gz FEKPSVREDCQEJU-ZETCQYMHSA-N 2 0 268.321 -0.871 20 0 CBADRP C[C@H](C[NH3+])NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001330592377 886492427 /nfs/dbraw/zinc/49/24/27/886492427.db2.gz PTMWYQWFOZYUDO-MRVPVSSYSA-N 2 0 252.322 -0.720 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC001330595664 886495102 /nfs/dbraw/zinc/49/51/02/886495102.db2.gz CKKGORBAZJDZPC-YPMHNXCESA-N 2 0 255.362 -0.036 20 0 CBADRP COC1(C(=O)N2CCC[C@@H](C[NH3+])C2)CC[NH2+]CC1 ZINC001330596056 886496294 /nfs/dbraw/zinc/49/62/94/886496294.db2.gz QEJUGXYMMYJYJK-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH2+]CCN(C)C(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001330616481 886504737 /nfs/dbraw/zinc/50/47/37/886504737.db2.gz VLMUQKLSLVUQJN-QGZVFWFLSA-N 2 0 261.391 -0.835 20 0 CBADRP CC1(C)CC[C@@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)[NH2+]C1 ZINC001330625760 886508956 /nfs/dbraw/zinc/50/89/56/886508956.db2.gz UEOIUCUQPXMLFO-UWVGGRQHSA-N 2 0 268.361 -0.016 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1CC(=O)N1CC[NH2+]CC1 ZINC001330830920 886589193 /nfs/dbraw/zinc/58/91/93/886589193.db2.gz HNGQUPDHOBZNCZ-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC001330859104 886598641 /nfs/dbraw/zinc/59/86/41/886598641.db2.gz BCVSOJBTXDUQGO-QWRGUYRKSA-N 2 0 282.388 -0.394 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCC(OCCC[NH3+])CC1 ZINC001330880950 886614422 /nfs/dbraw/zinc/61/44/22/886614422.db2.gz XBCOTWDOAIOFBG-NSHDSACASA-N 2 0 259.350 -0.684 20 0 CBADRP C[N@H+](CC(=O)NC[C@]1(O)CC[NH+](C)C1)[C@@H]1CCC[C@H]1O ZINC001447361617 913064987 /nfs/dbraw/zinc/06/49/87/913064987.db2.gz MGGJSDSVMZXIAN-YRGRVCCFSA-N 2 0 285.388 -0.986 20 0 CBADRP CC1(C)[C@H](C(=O)N2CCOC3(C[NH2+]C3)C2)C[C@@H]1[NH3+] ZINC001331052781 886658961 /nfs/dbraw/zinc/65/89/61/886658961.db2.gz JKCKNTKQSSEUHQ-UWVGGRQHSA-N 2 0 253.346 -0.439 20 0 CBADRP C[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)CC[C@H]1O ZINC001331108851 886674809 /nfs/dbraw/zinc/67/48/09/886674809.db2.gz GSJVPARDRUCTTE-WCQYABFASA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001331149224 886695738 /nfs/dbraw/zinc/69/57/38/886695738.db2.gz LMIVIPXLXWZHFA-RWMBFGLXSA-N 2 0 296.415 -0.312 20 0 CBADRP CC(C)([NH3+])CCNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001331159949 886700305 /nfs/dbraw/zinc/70/03/05/886700305.db2.gz DUYSKYLQOVZXDA-UHFFFAOYSA-N 2 0 296.415 -0.027 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C)C(C)(C)C1 ZINC001331192411 886724178 /nfs/dbraw/zinc/72/41/78/886724178.db2.gz NJNJBVFIKKVWBJ-LLVKDONJSA-N 2 0 284.404 -0.489 20 0 CBADRP OC1(Cc2cn([C@@H]3CCC[NH2+]C3)nn2)CC[NH2+]CC1 ZINC001331233229 886744984 /nfs/dbraw/zinc/74/49/84/886744984.db2.gz JFDSDDZKYXBADH-GFCCVEGCSA-N 2 0 265.361 -0.140 20 0 CBADRP CCC1([NH2+]CC(N)=O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001447424717 913075680 /nfs/dbraw/zinc/07/56/80/913075680.db2.gz ONBRAOVOUIKCLL-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H]1CC[C@H](C[NH3+])N(CC(=O)N2CC[NH2+]CC2)[C@@H]1C ZINC001331286352 886765534 /nfs/dbraw/zinc/76/55/34/886765534.db2.gz AGKCQZANWJHGIH-JHJVBQTASA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@H]([NH3+])CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001331396054 886792730 /nfs/dbraw/zinc/79/27/30/886792730.db2.gz OCYCTVVEMMLYJY-JGVFFNPUSA-N 2 0 250.293 -0.122 20 0 CBADRP C[C@H]([NH3+])CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001331396056 886793650 /nfs/dbraw/zinc/79/36/50/886793650.db2.gz OCYCTVVEMMLYJY-YUMQZZPRSA-N 2 0 250.293 -0.122 20 0 CBADRP CCC1([NH2+]CC(N)=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001447431254 913081814 /nfs/dbraw/zinc/08/18/14/913081814.db2.gz VNKHRGCJYOCSNO-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC001331490678 886823932 /nfs/dbraw/zinc/82/39/32/886823932.db2.gz ZQSAWGRIPSBWGT-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NCC1([NH3+])CCOCC1 ZINC001331568564 886846242 /nfs/dbraw/zinc/84/62/42/886846242.db2.gz JHUWYPAWOJIOPB-UHFFFAOYSA-N 2 0 288.392 -0.628 20 0 CBADRP CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC001331573962 886850318 /nfs/dbraw/zinc/85/03/18/886850318.db2.gz HNLWIKRTEHWFHB-YNEHKIRRSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331605263 886863216 /nfs/dbraw/zinc/86/32/16/886863216.db2.gz YNHZVTZTKNQJKW-MXWKQRLJSA-N 2 0 270.377 -0.704 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001447535429 913091403 /nfs/dbraw/zinc/09/14/03/913091403.db2.gz GLIBWFVSMVANQP-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331670284 886897741 /nfs/dbraw/zinc/89/77/41/886897741.db2.gz VCDTUCSUVQORRR-IJLUTSLNSA-N 2 0 296.415 -0.171 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCCF ZINC001331683870 886905229 /nfs/dbraw/zinc/90/52/29/886905229.db2.gz MEMXTFWEKDYDPU-MNOVXSKESA-N 2 0 261.341 -0.493 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001331689879 886910633 /nfs/dbraw/zinc/91/06/33/886910633.db2.gz PRIDAOSYDKJCIQ-CYBMUJFWSA-N 2 0 268.405 -0.038 20 0 CBADRP C[C@H](NC(=O)c1cn(CC[NH3+])nn1)C1CC[NH2+]CC1 ZINC001331690503 886912175 /nfs/dbraw/zinc/91/21/75/886912175.db2.gz UZSFZNVEEZSGKM-VIFPVBQESA-N 2 0 266.349 -0.645 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCC1C[NH2+]C1 ZINC001331708052 886924967 /nfs/dbraw/zinc/92/49/67/886924967.db2.gz QNYGSVFWSVLXPF-GFCCVEGCSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@@H](O)[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC001331771613 886968730 /nfs/dbraw/zinc/96/87/30/886968730.db2.gz SECQRTKXJJEQGX-NEPJUHHUSA-N 2 0 269.389 -0.101 20 0 CBADRP CCC[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001331824472 887000727 /nfs/dbraw/zinc/00/07/27/887000727.db2.gz ISXIDCNQRRRPAD-NSHDSACASA-N 2 0 255.362 -0.441 20 0 CBADRP CCOCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001331834411 887005408 /nfs/dbraw/zinc/00/54/08/887005408.db2.gz HLZGUPIAHHYLJS-VXGBXAGGSA-N 2 0 273.377 -0.959 20 0 CBADRP COCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001331834144 887006084 /nfs/dbraw/zinc/00/60/84/887006084.db2.gz DVCPFRJDEMVLJD-NWDGAFQWSA-N 2 0 273.377 -0.959 20 0 CBADRP NC(=O)C[N@H+](CC[C@@H]1CC[NH2+]C1)C1CCOCC1 ZINC001331932299 887052959 /nfs/dbraw/zinc/05/29/59/887052959.db2.gz HBHARNBSKMGYPX-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+]CCN1CC[NH2+]CC1 ZINC001331981273 887074590 /nfs/dbraw/zinc/07/45/90/887074590.db2.gz OUTAMTVPCDIUDM-CYBMUJFWSA-N 3 0 293.419 -0.803 20 0 CBADRP [NH3+]CCCC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC001332158127 887138272 /nfs/dbraw/zinc/13/82/72/887138272.db2.gz RNZIVXWVBPXOCN-SNVBAGLBSA-N 2 0 256.350 -0.961 20 0 CBADRP C[NH2+]C1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC001332159554 887137139 /nfs/dbraw/zinc/13/71/39/887137139.db2.gz ZXSICDFQGQRJRU-LBPRGKRZSA-N 2 0 255.362 -0.035 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001332282744 887183247 /nfs/dbraw/zinc/18/32/47/887183247.db2.gz VFODJXPBWPSIRK-KGLIPLIRSA-N 2 0 299.415 -0.033 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC001332288868 887187444 /nfs/dbraw/zinc/18/74/44/887187444.db2.gz USRUFOOIPNFGMT-XQHKEYJVSA-N 2 0 294.399 -0.417 20 0 CBADRP CN(C(=O)c1cn(CCCC[NH3+])nn1)[C@H]1CC[NH2+]C1 ZINC001332393085 887254270 /nfs/dbraw/zinc/25/42/70/887254270.db2.gz BCGGGBAOAKSBRA-JTQLQIEISA-N 2 0 266.349 -0.549 20 0 CBADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2ccnn2)C12CCC2 ZINC001332419230 887272434 /nfs/dbraw/zinc/27/24/34/887272434.db2.gz BIYYUZWYSWWEGR-MXWKQRLJSA-N 2 0 251.334 -0.502 20 0 CBADRP [NH3+]CC1(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)CC1 ZINC001332473620 887307168 /nfs/dbraw/zinc/30/71/68/887307168.db2.gz OVXMKYDRICMBKJ-SNVBAGLBSA-N 2 0 261.391 -0.908 20 0 CBADRP C[NH2+]CCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001332531549 887342060 /nfs/dbraw/zinc/34/20/60/887342060.db2.gz FWOBKFPGAZYWLN-QMMMGPOBSA-N 2 0 250.293 -0.250 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC[C@@H]21 ZINC001332543052 887348605 /nfs/dbraw/zinc/34/86/05/887348605.db2.gz MOHPTRICRKAZQW-BNDIWNMDSA-N 2 0 264.373 -0.060 20 0 CBADRP CN(C[C@@H](O)C[NH2+]CCCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001332591165 887369545 /nfs/dbraw/zinc/36/95/45/887369545.db2.gz DNCOXEHERVCCAI-STQMWFEESA-N 2 0 287.404 -0.881 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC001332690285 887406463 /nfs/dbraw/zinc/40/64/63/887406463.db2.gz HTZOBVHVUXJRSH-LBPRGKRZSA-N 2 0 296.415 -0.358 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC001332724989 887418127 /nfs/dbraw/zinc/41/81/27/887418127.db2.gz QKMOWDNLKMZTKA-KGLIPLIRSA-N 2 0 299.463 -0.592 20 0 CBADRP O[C@@H](COC1CCOCC1)CN1CCC[NH2+]CC1 ZINC001332815548 887436622 /nfs/dbraw/zinc/43/66/22/887436622.db2.gz JIATUPQQHCKAPN-GFCCVEGCSA-N 2 0 258.362 -0.162 20 0 CBADRP CCN(CC(F)(F)F)C(=O)CNC(C[NH3+])C[NH3+] ZINC001332815396 887437649 /nfs/dbraw/zinc/43/76/49/887437649.db2.gz HOCOAZDXIWWKCH-UHFFFAOYSA-N 2 0 256.272 -0.727 20 0 CBADRP CS(=O)(=O)C[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001332878719 887459903 /nfs/dbraw/zinc/45/99/03/887459903.db2.gz MNUWZIHWVHCGAU-LPEHRKFASA-N 2 0 250.364 -0.749 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001447860944 913149775 /nfs/dbraw/zinc/14/97/75/913149775.db2.gz BXYFXGMZJHOKQQ-MNOVXSKESA-N 2 0 284.404 -0.301 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCOC3(C[NH2+]C3)C2)C1(F)F ZINC001332977236 887492997 /nfs/dbraw/zinc/49/29/97/887492997.db2.gz YDEUAJCUROKGNG-HTQZYQBOSA-N 2 0 261.272 -0.973 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC001332994651 887498389 /nfs/dbraw/zinc/49/83/89/887498389.db2.gz QHGFVWQFKHAFIO-QWKFWESOSA-N 2 0 254.378 -0.252 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001333180168 887555285 /nfs/dbraw/zinc/55/52/85/887555285.db2.gz YHBGNJOMXNBMLS-SRVKXCTJSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@H](O)C[NH2+]CCOCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001333268055 887576182 /nfs/dbraw/zinc/57/61/82/887576182.db2.gz RRLXQNWLIGXYHI-ZDUSSCGKSA-N 2 0 299.415 -0.472 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)nn1 ZINC001333355071 887607692 /nfs/dbraw/zinc/60/76/92/887607692.db2.gz YMOPWTVEKCDZLU-YPMHNXCESA-N 2 0 292.387 -0.017 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001333352777 887608056 /nfs/dbraw/zinc/60/80/56/887608056.db2.gz NOYZLMPEYAWRLT-MNOVXSKESA-N 2 0 254.378 -0.334 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC[N@@H+]1C ZINC001333378741 887615944 /nfs/dbraw/zinc/61/59/44/887615944.db2.gz GLLFUEDLEOXWLW-UPJWGTAASA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC001333397698 887621802 /nfs/dbraw/zinc/62/18/02/887621802.db2.gz MNBRRZMDUYPPRW-UWVGGRQHSA-N 2 0 268.361 -0.855 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001333404483 887624079 /nfs/dbraw/zinc/62/40/79/887624079.db2.gz ORWUXVQVHNQQMZ-XQHKEYJVSA-N 2 0 296.415 -0.171 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C(C)C ZINC001333447459 887641162 /nfs/dbraw/zinc/64/11/62/887641162.db2.gz FWUDOQMKVQUKQH-TXEJJXNPSA-N 2 0 284.404 -0.314 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH2+]C)CC2)C1 ZINC001333564986 887694738 /nfs/dbraw/zinc/69/47/38/887694738.db2.gz CYUOIEDBPCHNDR-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CO)[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001333621852 887718864 /nfs/dbraw/zinc/71/88/64/887718864.db2.gz IBZCOAYLHBLLCI-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)[NH2+]CC(N)=O ZINC001447935604 913172233 /nfs/dbraw/zinc/17/22/33/913172233.db2.gz RUTZCSLODRYPPB-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC001333628665 887723128 /nfs/dbraw/zinc/72/31/28/887723128.db2.gz AJKQQEOFQWYTRO-AOOOYVTPSA-N 2 0 266.349 -0.693 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC001333624458 887723176 /nfs/dbraw/zinc/72/31/76/887723176.db2.gz FVVNSJGQOOEDLM-UWVGGRQHSA-N 2 0 258.366 -0.704 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1[C@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001333670104 887739168 /nfs/dbraw/zinc/73/91/68/887739168.db2.gz LMZJOIMAEGLTIJ-XWLWVQCSSA-N 2 0 255.362 -0.147 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001333670102 887740260 /nfs/dbraw/zinc/74/02/60/887740260.db2.gz LMZJOIMAEGLTIJ-VPOLOUISSA-N 2 0 255.362 -0.147 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)[NH+]1CCCCC1 ZINC001333882185 887795957 /nfs/dbraw/zinc/79/59/57/887795957.db2.gz VZSQDDKJZKDARD-XQQFMLRXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)[NH+]1CCCCC1 ZINC001333882186 887796665 /nfs/dbraw/zinc/79/66/65/887796665.db2.gz VZSQDDKJZKDARD-YNEHKIRRSA-N 2 0 296.415 -0.075 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCCCC[NH3+])CC[C@@H]21 ZINC001333957517 887819186 /nfs/dbraw/zinc/81/91/86/887819186.db2.gz CEJQQJUZVYRTOM-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP O=C(NCC[NH+]1CC=CC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC001334001315 887840136 /nfs/dbraw/zinc/84/01/36/887840136.db2.gz ZPANWHUESNLZLM-ZDUSSCGKSA-N 2 0 265.357 -0.305 20 0 CBADRP C[C@H](O)C[NH+]1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC001334056389 887859396 /nfs/dbraw/zinc/85/93/96/887859396.db2.gz SFUJECSYXGLFQK-UWVGGRQHSA-N 2 0 251.321 -0.033 20 0 CBADRP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001447993346 913187701 /nfs/dbraw/zinc/18/77/01/913187701.db2.gz QZBKVEJZVJNNCG-NEPJUHHUSA-N 2 0 298.431 -0.114 20 0 CBADRP C[N@H+](CCOCC[NH3+])C[C@H](O)COC1CCOCC1 ZINC001334339192 887927172 /nfs/dbraw/zinc/92/71/72/887927172.db2.gz WLIULZFGXLHJTR-LBPRGKRZSA-N 2 0 276.377 -0.550 20 0 CBADRP O=C1NCC2(CC[NH+](CCN3CC[NH2+]CC3)CC2)O1 ZINC001334339184 887928666 /nfs/dbraw/zinc/92/86/66/887928666.db2.gz WCMDAFOFNLJBSZ-UHFFFAOYSA-N 2 0 268.361 -0.534 20 0 CBADRP OC1CCN(Cc2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC001334395619 887951661 /nfs/dbraw/zinc/95/16/61/887951661.db2.gz AIGSCHSKGAFQCN-LLVKDONJSA-N 2 0 265.361 -0.013 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]1CCN1C ZINC001334870679 888349382 /nfs/dbraw/zinc/34/93/82/888349382.db2.gz KFVFQGZWEITZNE-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP COc1ccc([C@@H](C[NH3+])CNC(C[NH3+])C[NH3+])cc1 ZINC001335191034 888440935 /nfs/dbraw/zinc/44/09/35/888440935.db2.gz XKKHKWHDHQJZLT-NSHDSACASA-N 3 0 252.362 -0.387 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001335202910 888442110 /nfs/dbraw/zinc/44/21/10/888442110.db2.gz SBFUQPWLCJTQRL-WDEREUQCSA-N 2 0 257.382 -0.779 20 0 CBADRP [NH3+]CCCOCCNC(=O)NCC1([NH3+])CCOCC1 ZINC001335200213 888442411 /nfs/dbraw/zinc/44/24/11/888442411.db2.gz DDJPSKGYMVBVQA-UHFFFAOYSA-N 2 0 274.365 -0.841 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NC3C[NH2+]C3)C[C@H]2C1 ZINC001335234947 888461247 /nfs/dbraw/zinc/46/12/47/888461247.db2.gz RGUACWSMGRPSRP-NQBHXWOUSA-N 2 0 294.399 -0.737 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001335260568 888474208 /nfs/dbraw/zinc/47/42/08/888474208.db2.gz ACSSAXBVVXLFGF-UPJWGTAASA-N 2 0 296.415 -0.632 20 0 CBADRP C[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC001335264211 888476391 /nfs/dbraw/zinc/47/63/91/888476391.db2.gz KGKOHEODVUTLPH-GRYCIOLGSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC001335266909 888476531 /nfs/dbraw/zinc/47/65/31/888476531.db2.gz ICJSZBIKZWBXCU-FPMFFAJLSA-N 3 0 270.421 -0.249 20 0 CBADRP C[C@@H](NC(=O)C1(C[NH3+])CC(O)C1)[C@@H]1CCC[NH2+]C1 ZINC001335264324 888477348 /nfs/dbraw/zinc/47/73/48/888477348.db2.gz KYHAMKDFPQSMMT-IXYVEGFRSA-N 2 0 255.362 -0.410 20 0 CBADRP C[C@]1([NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCNC1=O ZINC001335288625 888486193 /nfs/dbraw/zinc/48/61/93/888486193.db2.gz HOBOPUUYXGLFFK-GWCFXTLKSA-N 2 0 268.361 -0.948 20 0 CBADRP [NH3+]CC1CCN(C(=O)[C@H]2[NH2+]CC23CCOCC3)CC1 ZINC001335307068 888493691 /nfs/dbraw/zinc/49/36/91/888493691.db2.gz CFBIFQPOPQAZQN-GFCCVEGCSA-N 2 0 267.373 -0.048 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCNCC[NH2+]CC1 ZINC001335350281 888512301 /nfs/dbraw/zinc/51/23/01/888512301.db2.gz GDFSJTPRRULREB-KGLIPLIRSA-N 2 0 295.431 -0.182 20 0 CBADRP C[N@@H+]1CCCC[C@@H](C[NH2+]CCC(=O)NC(N)=O)C1 ZINC001335475941 888542024 /nfs/dbraw/zinc/54/20/24/888542024.db2.gz GNHXRYRWJAPTSE-JTQLQIEISA-N 2 0 256.350 -0.107 20 0 CBADRP C[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1nncn1C ZINC001335499020 888547153 /nfs/dbraw/zinc/54/71/53/888547153.db2.gz GOSNCATXGPEPDQ-NWDGAFQWSA-N 2 0 267.377 -0.035 20 0 CBADRP CCO[C@H](CNC(=O)NCCCC[NH3+])C[NH+](C)C ZINC001335587885 888572278 /nfs/dbraw/zinc/57/22/78/888572278.db2.gz IRWYXSJNQOBPKS-LLVKDONJSA-N 2 0 260.382 -0.009 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)NCCCN1CC[NH2+]CC1 ZINC001335585354 888573038 /nfs/dbraw/zinc/57/30/38/888573038.db2.gz VJCGTCFKBRFBGE-ZIAGYGMSSA-N 2 0 297.447 -0.174 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001335596733 888577585 /nfs/dbraw/zinc/57/75/85/888577585.db2.gz WOZYASOKBGXMNP-NNYUYHANSA-N 2 0 268.361 -0.776 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)NCC[C@H](C)[NH3+] ZINC001335609632 888582361 /nfs/dbraw/zinc/58/23/61/888582361.db2.gz KBQRAGJZGNUIDM-WDEREUQCSA-N 2 0 258.366 -0.256 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC001335617024 888582546 /nfs/dbraw/zinc/58/25/46/888582546.db2.gz DITHRQUHGHYDEN-LBPRGKRZSA-N 2 0 288.392 -0.758 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC001335680251 888603380 /nfs/dbraw/zinc/60/33/80/888603380.db2.gz WFIWFRUWJJXXGO-UWVGGRQHSA-N 2 0 256.350 -0.728 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@H]2C[C@H](C[NH3+])C2)CCO1 ZINC001335696688 888604844 /nfs/dbraw/zinc/60/48/44/888604844.db2.gz PYNZZDBPAXGDHK-XWLWVQCSSA-N 2 0 256.350 -0.519 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NCCCC[NH3+] ZINC001335779417 888626476 /nfs/dbraw/zinc/62/64/76/888626476.db2.gz ZSNNVMJJMSZNFV-UHFFFAOYSA-N 2 0 286.420 -0.112 20 0 CBADRP C[NH2+]CCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001335789331 888629136 /nfs/dbraw/zinc/62/91/36/888629136.db2.gz TXRIOFGVZGJJSL-TUAOUCFPSA-N 2 0 296.371 -0.621 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC001335795885 888632403 /nfs/dbraw/zinc/63/24/03/888632403.db2.gz ZXVRSWLQNSOYCB-RWMBFGLXSA-N 2 0 296.415 -0.360 20 0 CBADRP C(N1CC[C@@H](N2CC[NH2+]CC2)C1)C12CC(C1)C[NH2+]2 ZINC001335947563 888661206 /nfs/dbraw/zinc/66/12/06/888661206.db2.gz AZWUIAGICDVZTQ-ROKHWSDSSA-N 2 0 250.390 -0.282 20 0 CBADRP C[NH2+]CCNC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001336117592 888698515 /nfs/dbraw/zinc/69/85/15/888698515.db2.gz SCCLWJSSCIZKAX-LLVKDONJSA-N 2 0 270.377 -0.336 20 0 CBADRP O[C@@H]1CC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H]1O ZINC001336279035 888735121 /nfs/dbraw/zinc/73/51/21/888735121.db2.gz YXEIHHRUGXQMMY-FVCCEPFGSA-N 2 0 256.346 -0.818 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC001336558529 888794626 /nfs/dbraw/zinc/79/46/26/888794626.db2.gz XOZYZAJELLCYAS-AVGNSLFASA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001336590279 888807270 /nfs/dbraw/zinc/80/72/70/888807270.db2.gz XFTAFGBUZZOBCY-ZDEQEGDKSA-N 2 0 296.415 -0.362 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001336629863 888820203 /nfs/dbraw/zinc/82/02/03/888820203.db2.gz BQXXNORXNFJAPZ-NWDGAFQWSA-N 2 0 294.399 -0.735 20 0 CBADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)CC[N@@H+]1C ZINC001336633887 888824806 /nfs/dbraw/zinc/82/48/06/888824806.db2.gz MMWCLWDLNGEZRR-GHMZBOCLSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)CC[N@@H+]1C ZINC001336633889 888825553 /nfs/dbraw/zinc/82/55/53/888825553.db2.gz MMWCLWDLNGEZRR-QWRGUYRKSA-N 2 0 282.388 -0.465 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001336644954 888828562 /nfs/dbraw/zinc/82/85/62/888828562.db2.gz BJJJQDXZVZKTLK-TYNCELHUSA-N 2 0 296.415 -0.632 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CCC([NH3+])CC2)C1=O ZINC001336649151 888830027 /nfs/dbraw/zinc/83/00/27/888830027.db2.gz ZFNLGCIAAUIPQP-LLVKDONJSA-N 2 0 268.361 -0.867 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CCC([NH3+])CC2)C1=O ZINC001336649152 888830692 /nfs/dbraw/zinc/83/06/92/888830692.db2.gz ZFNLGCIAAUIPQP-NSHDSACASA-N 2 0 268.361 -0.867 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001336660558 888837709 /nfs/dbraw/zinc/83/77/09/888837709.db2.gz ROLSDPGEUQPJBC-CFGSLIKFSA-N 2 0 255.362 -0.328 20 0 CBADRP C[C@]1(C(=O)N2CCC(OCCC[NH3+])CC2)C[C@H](O)C[NH2+]1 ZINC001336661975 888837756 /nfs/dbraw/zinc/83/77/56/888837756.db2.gz YXXDKHZKYLSKDZ-SMDDNHRTSA-N 2 0 285.388 -0.544 20 0 CBADRP [NH3+]CC1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001336687971 888845553 /nfs/dbraw/zinc/84/55/53/888845553.db2.gz SCHNNQOJLTUQOM-ZDUSSCGKSA-N 2 0 255.362 -0.312 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001336687213 888846992 /nfs/dbraw/zinc/84/69/92/888846992.db2.gz LVYJQSXARMTJEB-AAEUAGOBSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001336742850 888862900 /nfs/dbraw/zinc/86/29/00/888862900.db2.gz RTCPSSMUNGNADN-IUCAKERBSA-N 2 0 251.334 -0.094 20 0 CBADRP COC1(C(=O)N(C)CCOCC[NH3+])CC[NH2+]CC1 ZINC001336741794 888863041 /nfs/dbraw/zinc/86/30/41/888863041.db2.gz DCSGCWXQMDQQKP-UHFFFAOYSA-N 2 0 259.350 -0.811 20 0 CBADRP C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C(C)(C)O ZINC001336769655 888875295 /nfs/dbraw/zinc/87/52/95/888875295.db2.gz BSUXXGFVLCYZCB-NWDGAFQWSA-N 2 0 259.394 -0.656 20 0 CBADRP CO[C@@H](C)[C@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001336814765 888891246 /nfs/dbraw/zinc/89/12/46/888891246.db2.gz SOPHPKJIKNFPSP-AVGNSLFASA-N 2 0 259.394 -0.392 20 0 CBADRP O=C(NC[C@@H]1CCCC[NH2+]1)N1CCNCC[NH2+]CC1 ZINC001336906586 888915517 /nfs/dbraw/zinc/91/55/17/888915517.db2.gz FKVUNQQOSRLACJ-LBPRGKRZSA-N 2 0 269.393 -0.667 20 0 CBADRP [NH3+]C1CC2(C1)CC(NC(=O)NCCCN1CC[NH2+]CC1)C2 ZINC001336907360 888916473 /nfs/dbraw/zinc/91/64/73/888916473.db2.gz IGPDEAXCRQXRIJ-UHFFFAOYSA-N 2 0 295.431 -0.149 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC001336908023 888916667 /nfs/dbraw/zinc/91/66/67/888916667.db2.gz JOFDXSYUICQDLN-GJMOJQLCSA-N 2 0 250.293 -0.124 20 0 CBADRP C[NH2+]CCOCCNC(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC001336922240 888921400 /nfs/dbraw/zinc/92/14/00/888921400.db2.gz MTECKZGMJYLCLP-VXGBXAGGSA-N 2 0 272.393 -0.233 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])C[NH+]1CCCC1 ZINC001336965156 888937920 /nfs/dbraw/zinc/93/79/20/888937920.db2.gz MXATUTPZKZFBNM-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP CCO[C@H](CNC(=O)N(C)C[C@H](C)[NH3+])C[NH+](C)C ZINC001336976433 888940043 /nfs/dbraw/zinc/94/00/43/888940043.db2.gz DBSBNCQJSDBMFX-WDEREUQCSA-N 2 0 260.382 -0.058 20 0 CBADRP O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)N1CCNCC[NH2+]CC1 ZINC001336976455 888940545 /nfs/dbraw/zinc/94/05/45/888940545.db2.gz DPCPLKBQEDMWMQ-UKRRQHHQSA-N 2 0 295.431 -0.277 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC001336977996 888942012 /nfs/dbraw/zinc/94/20/12/888942012.db2.gz OGVKLAIIDBTALV-MNOVXSKESA-N 2 0 259.350 -0.813 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[C@H](C[NH3+])C1 ZINC001336990792 888944947 /nfs/dbraw/zinc/94/49/47/888944947.db2.gz PJEOTKPLLQPNMN-WISYIIOYSA-N 2 0 267.377 -0.836 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001337441792 889011091 /nfs/dbraw/zinc/01/10/91/889011091.db2.gz USRUFOOIPNFGMT-ZDEQEGDKSA-N 2 0 294.399 -0.417 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC001337441598 889011576 /nfs/dbraw/zinc/01/15/76/889011576.db2.gz UDIMYTVRVJJSDJ-WYUUTHIRSA-N 2 0 294.399 -0.419 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001337441604 889012796 /nfs/dbraw/zinc/01/27/96/889012796.db2.gz UKXZGWFKDBUEQN-IJLUTSLNSA-N 2 0 284.404 -0.314 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC[C@H]21 ZINC001337517143 889028042 /nfs/dbraw/zinc/02/80/42/889028042.db2.gz XINJRWFNCRCOOM-FVCCEPFGSA-N 2 0 294.399 -0.608 20 0 CBADRP [NH3+]C1(CNCc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC001337838264 889086507 /nfs/dbraw/zinc/08/65/07/889086507.db2.gz MZEWHJSDWYHBJU-SNVBAGLBSA-N 2 0 250.350 -0.217 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC001338031072 889108273 /nfs/dbraw/zinc/10/82/73/889108273.db2.gz JJTQQFQSEOAYMF-RKDXNWHRSA-N 2 0 262.304 -0.026 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001448507375 913312983 /nfs/dbraw/zinc/31/29/83/913312983.db2.gz ALPAFYBAEKBTHY-JOCQHMNTSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC001338307400 889138725 /nfs/dbraw/zinc/13/87/25/889138725.db2.gz ADXCHMXLONGFLZ-NSHDSACASA-N 2 0 286.420 -0.114 20 0 CBADRP CN(C(=O)Cc1csc(C[NH3+])n1)[C@@H]1CC[NH2+]C1 ZINC001338373628 889151750 /nfs/dbraw/zinc/15/17/50/889151750.db2.gz JMAFGSGPDYEKOG-SECBINFHSA-N 2 0 254.359 -0.035 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001448532258 913317212 /nfs/dbraw/zinc/31/72/12/913317212.db2.gz ZCRPWIFWINGSCE-FDYHWXHSSA-N 2 0 296.415 -0.314 20 0 CBADRP [NH3+]C1(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001338518342 889170556 /nfs/dbraw/zinc/17/05/56/889170556.db2.gz ALBWGHXTLKSANK-QWRGUYRKSA-N 2 0 268.361 -0.360 20 0 CBADRP O=c1ccncn1CCNC[C@H](O)C[NH+]1CCCC1 ZINC001338549722 889172631 /nfs/dbraw/zinc/17/26/31/889172631.db2.gz HRFOKEGPHPZAAS-LBPRGKRZSA-N 2 0 266.345 -0.710 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001338646797 889186063 /nfs/dbraw/zinc/18/60/63/889186063.db2.gz TZIIATPXCPHGFR-NEPJUHHUSA-N 2 0 272.393 -0.151 20 0 CBADRP C[C@H]([NH3+])CNC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001338647870 889186616 /nfs/dbraw/zinc/18/66/16/889186616.db2.gz YUMORZNTTRARSK-LBPRGKRZSA-N 2 0 271.409 -0.292 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001339722859 889313712 /nfs/dbraw/zinc/31/37/12/889313712.db2.gz GBGYGRANQHWHMB-AGIUHOORSA-N 2 0 266.389 -0.415 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@@H]1CCC[NH2+]1 ZINC001339716156 889315123 /nfs/dbraw/zinc/31/51/23/889315123.db2.gz STTMCFPJQWCTSW-GRYCIOLGSA-N 2 0 252.362 -0.757 20 0 CBADRP C[NH+](C)CCCNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001339772793 889320617 /nfs/dbraw/zinc/32/06/17/889320617.db2.gz UAWQBYNZNIEDOI-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC001340062171 889377913 /nfs/dbraw/zinc/37/79/13/889377913.db2.gz MPNOYYKUANKPLZ-WOPDTQHZSA-N 2 0 257.378 -0.339 20 0 CBADRP COC(=O)NC1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC001339915572 889343779 /nfs/dbraw/zinc/34/37/79/889343779.db2.gz VRZPMZSSDFBABS-LSJOCFKGSA-N 2 0 257.334 -0.343 20 0 CBADRP CC(C)C[NH+]1CCC(NC(=O)CNCC[NH3+])CC1 ZINC001340025794 889365902 /nfs/dbraw/zinc/36/59/02/889365902.db2.gz BJNINMRZIYCCHL-UHFFFAOYSA-N 2 0 256.394 -0.229 20 0 CBADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CO)C1 ZINC001340056001 889371712 /nfs/dbraw/zinc/37/17/12/889371712.db2.gz FZVLAHCXLOSIPW-WDEREUQCSA-N 2 0 257.378 -0.067 20 0 CBADRP CCC[NH+]1CCC(N(C)C(=O)CNCC[NH3+])CC1 ZINC001340056105 889374314 /nfs/dbraw/zinc/37/43/14/889374314.db2.gz HCPATAFQPNSIKR-UHFFFAOYSA-N 2 0 256.394 -0.133 20 0 CBADRP C[NH+]1CCC(CCNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001340063476 889377816 /nfs/dbraw/zinc/37/78/16/889377816.db2.gz OKUKCBGCBUNCLY-TZMCWYRMSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2)[NH+](C)C ZINC001340057058 889377987 /nfs/dbraw/zinc/37/79/87/889377987.db2.gz UEGWGAWFYGQVFP-WZRBSPASSA-N 2 0 255.362 -0.321 20 0 CBADRP [NH3+][C@H](CO)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001340111426 889385846 /nfs/dbraw/zinc/38/58/46/889385846.db2.gz BWROHVGXSGHMLZ-LLVKDONJSA-N 2 0 250.302 -0.950 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001340180128 889405699 /nfs/dbraw/zinc/40/56/99/889405699.db2.gz BDMQGZXBDUJKDO-GVXVVHGQSA-N 2 0 253.346 -0.519 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001340199270 889407667 /nfs/dbraw/zinc/40/76/67/889407667.db2.gz FPHGGYZABYTICT-WCQYABFASA-N 2 0 257.378 -0.053 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC001340232585 889411849 /nfs/dbraw/zinc/41/18/49/889411849.db2.gz GKLHWUDRJPZBHC-AWEZNQCLSA-N 2 0 297.447 -0.968 20 0 CBADRP C[C@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@H](O)C[NH2+]1 ZINC001340282152 889417771 /nfs/dbraw/zinc/41/77/71/889417771.db2.gz PEEGSVMXZLFVDO-SRRSOLGSSA-N 2 0 253.346 -0.548 20 0 CBADRP C[C@]1(CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CCC[NH2+]C1 ZINC001340266657 889418026 /nfs/dbraw/zinc/41/80/26/889418026.db2.gz OQDZRICOFHFXNN-DOMZBBRYSA-N 2 0 296.415 -0.310 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@H]1CC12CC[NH2+]CC2 ZINC001340300006 889419528 /nfs/dbraw/zinc/41/95/28/889419528.db2.gz RCDCLNJHQAKVNL-SMDDNHRTSA-N 2 0 267.373 -0.251 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH2+]C(C)(C)C1 ZINC001340319351 889421891 /nfs/dbraw/zinc/42/18/91/889421891.db2.gz JLEMYIKMVXQBHA-RYUDHWBXSA-N 2 0 266.389 -0.415 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCN2C)C[C@H]1C[NH3+] ZINC001340334895 889422414 /nfs/dbraw/zinc/42/24/14/889422414.db2.gz UWBIRJQXCOMVDN-IJLUTSLNSA-N 2 0 254.378 -0.667 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC001340366377 889428148 /nfs/dbraw/zinc/42/81/48/889428148.db2.gz ZIMQTLOCSFAALA-GHMZBOCLSA-N 2 0 255.362 -0.443 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCc1ccc(C[NH3+])cc1 ZINC001340403530 889430770 /nfs/dbraw/zinc/43/07/70/889430770.db2.gz BDCAOPFKJFHYDB-GXFFZTMASA-N 2 0 265.357 -0.022 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)CC(C)(C)C[NH3+] ZINC001340486478 889438923 /nfs/dbraw/zinc/43/89/23/889438923.db2.gz UQAGSMDDJVGJHF-RYUDHWBXSA-N 2 0 268.405 -0.182 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N(C)C1CCC([NH3+])CC1 ZINC001340482975 889439195 /nfs/dbraw/zinc/43/91/95/889439195.db2.gz FDPAWKCGCRJYAH-HBIQZDMRSA-N 2 0 257.378 -0.069 20 0 CBADRP C[C@H](CNC(=O)[C@H]1[NH2+]CC12CCOCC2)[NH+](C)C ZINC001340526312 889441975 /nfs/dbraw/zinc/44/19/75/889441975.db2.gz CHMKEECYIUHLOT-GHMZBOCLSA-N 2 0 255.362 -0.179 20 0 CBADRP O=C(NCC1=CC[NH2+]CC1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001340529263 889442877 /nfs/dbraw/zinc/44/28/77/889442877.db2.gz KGGMENWFDWXBHA-LBPRGKRZSA-N 2 0 265.357 -0.209 20 0 CBADRP C[C@@]1(C(=O)NCc2ccc(C[NH3+])cc2)C[C@@H](O)C[NH2+]1 ZINC001340534846 889445347 /nfs/dbraw/zinc/44/53/47/889445347.db2.gz VFRATYADCMJFHJ-OCCSQVGLSA-N 2 0 263.341 -0.126 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@@H]([NH3+])COC)CC1 ZINC001340541874 889446133 /nfs/dbraw/zinc/44/61/33/889446133.db2.gz VEAJFMWXSNCLAD-NSHDSACASA-N 2 0 259.350 -0.813 20 0 CBADRP C[C@@]1(C(=O)NCCC2CC[NH2+]CC2)C[C@@H](O)C[NH2+]1 ZINC001340560499 889449088 /nfs/dbraw/zinc/44/90/88/889449088.db2.gz XTKPOKXYJNDVSL-YPMHNXCESA-N 2 0 255.362 -0.395 20 0 CBADRP O=C(CCC12CC(C1)C[NH2+]2)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001340613595 889453632 /nfs/dbraw/zinc/45/36/32/889453632.db2.gz FRTJKEKOAFLELE-AKJDGMEZSA-N 2 0 265.357 -0.234 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001340705269 889470969 /nfs/dbraw/zinc/47/09/69/889470969.db2.gz PGXDSMPSKQFKOI-QWRGUYRKSA-N 2 0 255.362 -0.585 20 0 CBADRP O=C([C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001340728095 889473081 /nfs/dbraw/zinc/47/30/81/889473081.db2.gz PHSBMKPHQUGZRT-WHOHXGKFSA-N 2 0 253.346 -0.833 20 0 CBADRP [NH3+]C[C@H](O)CNC(=O)C1(C(F)(F)F)CC[NH2+]CC1 ZINC001340756606 889479500 /nfs/dbraw/zinc/47/95/00/889479500.db2.gz XOHGMWZHJWLLJF-ZETCQYMHSA-N 2 0 269.267 -0.646 20 0 CBADRP [NH3+]C[C@@H](O)CNC(=O)C1(C(F)(F)F)CC[NH2+]CC1 ZINC001340756605 889480051 /nfs/dbraw/zinc/48/00/51/889480051.db2.gz XOHGMWZHJWLLJF-SSDOTTSWSA-N 2 0 269.267 -0.646 20 0 CBADRP [NH3+][C@H](Cc1ccccn1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001340762940 889481936 /nfs/dbraw/zinc/48/19/36/889481936.db2.gz IUFGDLGBXPXIGC-FRRDWIJNSA-N 2 0 260.341 -0.086 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC001340789253 889486852 /nfs/dbraw/zinc/48/68/52/889486852.db2.gz ISXQVRLCQOSBJF-VXGBXAGGSA-N 2 0 257.378 -0.195 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001340820422 889490424 /nfs/dbraw/zinc/49/04/24/889490424.db2.gz DSYIJPYYVPMRBR-LBPRGKRZSA-N 2 0 254.378 -0.379 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001340820420 889490684 /nfs/dbraw/zinc/49/06/84/889490684.db2.gz DSYIJPYYVPMRBR-GFCCVEGCSA-N 2 0 254.378 -0.379 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001448687820 913350959 /nfs/dbraw/zinc/35/09/59/913350959.db2.gz WBZDPBPKKMCHAP-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CCN(CC[NH3+])C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340828008 889493181 /nfs/dbraw/zinc/49/31/81/889493181.db2.gz VXKNRCKSTBRFFH-UHFFFAOYSA-N 2 0 254.334 -0.308 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001340865252 889500229 /nfs/dbraw/zinc/50/02/29/889500229.db2.gz GTCRVOROZWLQQT-NEPJUHHUSA-N 2 0 257.378 -0.053 20 0 CBADRP C[NH2+]CCOc1ccccc1C(=O)N(C)C[C@H](O)C[NH2+]C ZINC001340861690 889500968 /nfs/dbraw/zinc/50/09/68/889500968.db2.gz DUNDEJZMXULXGP-GFCCVEGCSA-N 2 0 295.383 -0.063 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)C[C@H](O)C[NH3+] ZINC001340880364 889503863 /nfs/dbraw/zinc/50/38/63/889503863.db2.gz MNLXZBINZFICMP-QWRGUYRKSA-N 2 0 261.366 -0.831 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC001340889048 889505964 /nfs/dbraw/zinc/50/59/64/889505964.db2.gz WQJPRCAYRRVHCL-MSLYCWSTSA-N 2 0 255.362 -0.315 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC001340889052 889505915 /nfs/dbraw/zinc/50/59/15/889505915.db2.gz WQJPRCAYRRVHCL-YLXHPXFOSA-N 2 0 255.362 -0.315 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001340888328 889506695 /nfs/dbraw/zinc/50/66/95/889506695.db2.gz SHZHVTRXZFGPCE-BJDJZHNGSA-N 2 0 257.378 -0.164 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001340891719 889507042 /nfs/dbraw/zinc/50/70/42/889507042.db2.gz BXQYISMPYBMNIN-GFCCVEGCSA-N 2 0 264.329 -0.560 20 0 CBADRP C[NH+](C)C1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001340892434 889507349 /nfs/dbraw/zinc/50/73/49/889507349.db2.gz GKEMFKOACHFQOA-YPMHNXCESA-N 2 0 255.362 -0.348 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C12CC(C1)C[NH2+]2 ZINC001340897004 889508875 /nfs/dbraw/zinc/50/88/75/889508875.db2.gz ZBFBYTQTOWWDEN-LKSINWNRSA-N 2 0 266.389 -0.510 20 0 CBADRP C[C@@]1(C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@@H](O)C[NH2+]1 ZINC001340906215 889508900 /nfs/dbraw/zinc/50/89/00/889508900.db2.gz MIONXARQSHPGRA-WXHSDQCUSA-N 2 0 255.362 -0.395 20 0 CBADRP C[C@H]([NH3+])CC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001340903857 889509596 /nfs/dbraw/zinc/50/95/96/889509596.db2.gz NWUZHWZUVDNXMO-WDEREUQCSA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)[C@H]1CC[NH2+]1 ZINC001340906460 889509847 /nfs/dbraw/zinc/50/98/47/889509847.db2.gz ZBMBFSWXINVGPG-GHMZBOCLSA-N 2 0 253.346 -0.377 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC(C)([NH3+])CC1 ZINC001340914871 889512304 /nfs/dbraw/zinc/51/23/04/889512304.db2.gz AGBWNASZDDZNKS-SECBINFHSA-N 2 0 257.334 -0.393 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001340915750 889513322 /nfs/dbraw/zinc/51/33/22/889513322.db2.gz JFZHCURLSBKTLX-YFKTTZPYSA-N 2 0 255.362 -0.444 20 0 CBADRP CC[C@@]1(C(=O)NCCN2CCC([NH3+])CC2)CC[NH2+]C1 ZINC001340941928 889520677 /nfs/dbraw/zinc/52/06/77/889520677.db2.gz FQQOWDYADGIFSI-CQSZACIVSA-N 2 0 268.405 -0.085 20 0 CBADRP C[C@@H](CC(=O)N1CC[NH2+]C[C@@H]1CO)C1CC[NH2+]CC1 ZINC001340954469 889524528 /nfs/dbraw/zinc/52/45/28/889524528.db2.gz RJCHXRAUQDJYRC-WCQYABFASA-N 2 0 269.389 -0.195 20 0 CBADRP C[NH2+][C@H](C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)c1cnn(C)c1 ZINC001340979262 889526631 /nfs/dbraw/zinc/52/66/31/889526631.db2.gz XCPMTOYQMJGFPE-MNOVXSKESA-N 2 0 265.361 -0.124 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340998439 889529596 /nfs/dbraw/zinc/52/95/96/889529596.db2.gz AXYIVFVUPRHNRL-MWLCHTKSSA-N 2 0 266.345 -0.391 20 0 CBADRP C[NH2+][C@H](CNC(=O)C[C@@H](O)C[NH3+])Cc1ccccc1 ZINC001341026976 889533318 /nfs/dbraw/zinc/53/33/18/889533318.db2.gz DJLJPXPRAMMDNL-QWHCGFSZSA-N 2 0 265.357 -0.357 20 0 CBADRP C[NH+](C)CC[C@H](NC(=O)CNCC[NH3+])c1cccnc1 ZINC001341019182 889533688 /nfs/dbraw/zinc/53/36/88/889533688.db2.gz LPZGSHFWZLLBKW-ZDUSSCGKSA-N 2 0 279.388 -0.261 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC001341010680 889533767 /nfs/dbraw/zinc/53/37/67/889533767.db2.gz PFIBFMNVGNPCJF-WOPDTQHZSA-N 2 0 255.362 -0.273 20 0 CBADRP C[NH+](C)CC[C@@H](NC(=O)CNCC[NH3+])c1cccnc1 ZINC001341019179 889534280 /nfs/dbraw/zinc/53/42/80/889534280.db2.gz LPZGSHFWZLLBKW-CYBMUJFWSA-N 2 0 279.388 -0.261 20 0 CBADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001341115423 889544469 /nfs/dbraw/zinc/54/44/69/889544469.db2.gz FOICNFQVEBGJCJ-GWCFXTLKSA-N 2 0 255.362 -0.313 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001341178933 889553518 /nfs/dbraw/zinc/55/35/18/889553518.db2.gz YALQWIFSPMQYMF-CIQGVGRVSA-N 2 0 267.373 -0.001 20 0 CBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001341178936 889554624 /nfs/dbraw/zinc/55/46/24/889554624.db2.gz YALQWIFSPMQYMF-HKUMRIAESA-N 2 0 267.373 -0.001 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001341206703 889556840 /nfs/dbraw/zinc/55/68/40/889556840.db2.gz RVZLXXAXCMGZRA-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C([C@H]1CC12CC[NH2+]CC2)N1CCNCC[NH2+]CC1 ZINC001341224135 889558717 /nfs/dbraw/zinc/55/87/17/889558717.db2.gz XQXVEBBLQBZRMP-GFCCVEGCSA-N 2 0 266.389 -0.603 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CCNCC[NH2+]CC1 ZINC001341221740 889559665 /nfs/dbraw/zinc/55/96/65/889559665.db2.gz JGJTVGQQMOVMKF-LLVKDONJSA-N 2 0 272.418 -0.897 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)C1 ZINC001341241147 889561520 /nfs/dbraw/zinc/56/15/20/889561520.db2.gz WZDBUARJRZPSJH-VSYHDTTKSA-N 2 0 267.373 -0.146 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC[C@@H]1C[NH3+] ZINC001341250949 889565641 /nfs/dbraw/zinc/56/56/41/889565641.db2.gz QDJRZFUSIJEZDH-UZWSLXQKSA-N 2 0 255.362 -0.457 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC[C@H]1C[NH3+] ZINC001341250947 889566192 /nfs/dbraw/zinc/56/61/92/889566192.db2.gz QDJRZFUSIJEZDH-BLFANLJRSA-N 2 0 255.362 -0.457 20 0 CBADRP C[C@]1(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@@H](O)C[NH2+]1 ZINC001341271640 889569092 /nfs/dbraw/zinc/56/90/92/889569092.db2.gz JIDXDNUTZMRCJV-SBFPOUOMSA-N 2 0 253.346 -0.833 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC001341291264 889572797 /nfs/dbraw/zinc/57/27/97/889572797.db2.gz LTYUTQQHUXVCIB-NEPJUHHUSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC(C[NH3+])CC1 ZINC001341351423 889579306 /nfs/dbraw/zinc/57/93/06/889579306.db2.gz BSCSNZQSRIJAOQ-AAEUAGOBSA-N 2 0 266.389 -0.428 20 0 CBADRP O=C(C[NH+]1CCC(CO)CC1)NCC[NH2+]C1CC1 ZINC001341353107 889581195 /nfs/dbraw/zinc/58/11/95/889581195.db2.gz KGZNWASZXFQLJL-UHFFFAOYSA-N 2 0 255.362 -0.441 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001341370483 889582424 /nfs/dbraw/zinc/58/24/24/889582424.db2.gz YSYOEIMEZCLJCL-AXFHLTTASA-N 2 0 253.346 -0.378 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CC[N@@H+]1C ZINC001341369428 889582518 /nfs/dbraw/zinc/58/25/18/889582518.db2.gz SFFOPDRJHZSCDW-OUAUKWLOSA-N 2 0 253.346 -0.426 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001341424185 889595637 /nfs/dbraw/zinc/59/56/37/889595637.db2.gz UDEZUVWBIOMLAP-XZUYRWCXSA-N 2 0 253.346 -0.500 20 0 CBADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001341432038 889597751 /nfs/dbraw/zinc/59/77/51/889597751.db2.gz ARTBMISOWAIIMW-JTQLQIEISA-N 2 0 255.362 -0.049 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC001341447623 889599006 /nfs/dbraw/zinc/59/90/06/889599006.db2.gz LROUUGFXQZUKJM-BZPMIXESSA-N 2 0 266.389 -0.380 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C12CCC(CC1)[NH2+]2 ZINC001341452474 889599074 /nfs/dbraw/zinc/59/90/74/889599074.db2.gz UQCZISLBIJMKCL-AVERBVTBSA-N 2 0 294.399 -0.273 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC001341464994 889600755 /nfs/dbraw/zinc/60/07/55/889600755.db2.gz JEYDIQBPFHBBFK-CZXHOFHRSA-N 2 0 267.373 -0.049 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001341487009 889606440 /nfs/dbraw/zinc/60/64/40/889606440.db2.gz CRZBUEKEHRYZSK-HBNTYKKESA-N 2 0 268.361 -0.950 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CCCCC[C@H]([NH3+])C2)C1=O ZINC001341494053 889607335 /nfs/dbraw/zinc/60/73/35/889607335.db2.gz XNBFLCNHRWQNBQ-STQMWFEESA-N 2 0 296.415 -0.086 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[NH+]1CCC(CO)CC1 ZINC001341509270 889609182 /nfs/dbraw/zinc/60/91/82/889609182.db2.gz SEQIRUSDFSLPQL-PWSUYJOCSA-N 2 0 255.362 -0.361 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001341516103 889611735 /nfs/dbraw/zinc/61/17/35/889611735.db2.gz PRLDATDFJVQGET-LBPRGKRZSA-N 2 0 298.431 -0.112 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[C@@H](O)C[NH2+]C ZINC001341514449 889611929 /nfs/dbraw/zinc/61/19/29/889611929.db2.gz GYICEEYUSRDESZ-UTUOFQBUSA-N 2 0 257.378 -0.197 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])COC(C)C ZINC001341517561 889613912 /nfs/dbraw/zinc/61/39/12/889613912.db2.gz SJOWAWBWJWIMTI-QWRGUYRKSA-N 2 0 259.350 -0.815 20 0 CBADRP O=C(CC[NH2+]CC1CC1)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001341524747 889615460 /nfs/dbraw/zinc/61/54/60/889615460.db2.gz HMNORGIEMVYDNJ-CYBMUJFWSA-N 2 0 266.345 -0.628 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H]1CCCN(CC[NH3+])C1=O)C2 ZINC001341564517 889622632 /nfs/dbraw/zinc/62/26/32/889622632.db2.gz PBKPMQILJLBQFZ-SLEUVZQESA-N 2 0 294.399 -0.748 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001341571262 889622710 /nfs/dbraw/zinc/62/27/10/889622710.db2.gz OAOSOHCJFMUQFF-TZMCWYRMSA-N 2 0 269.389 -0.051 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)CC[NH2+]C1CC1 ZINC001341572779 889626762 /nfs/dbraw/zinc/62/67/62/889626762.db2.gz HGYLWXHCBHCFBD-LBPRGKRZSA-N 2 0 255.362 -0.035 20 0 CBADRP Cc1nccn1CCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001341583996 889628545 /nfs/dbraw/zinc/62/85/45/889628545.db2.gz ACVIZZHGIBTLOX-LBPRGKRZSA-N 2 0 293.371 -0.495 20 0 CBADRP Cc1nccn1CCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001341583995 889628628 /nfs/dbraw/zinc/62/86/28/889628628.db2.gz ACVIZZHGIBTLOX-GFCCVEGCSA-N 2 0 293.371 -0.495 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1)C1CC1 ZINC001341584954 889628964 /nfs/dbraw/zinc/62/89/64/889628964.db2.gz KLJPNTQFBPVGOM-WCQYABFASA-N 2 0 255.362 -0.300 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1C[NH2+]CCN1C ZINC001341613268 889632080 /nfs/dbraw/zinc/63/20/80/889632080.db2.gz GLZVKGRUNMFIME-QWHCGFSZSA-N 2 0 268.405 -0.119 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001341620875 889634255 /nfs/dbraw/zinc/63/42/55/889634255.db2.gz ZUOBLAIJUINKLS-WZRBSPASSA-N 2 0 255.362 -0.443 20 0 CBADRP [NH3+]CCNCC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001341627008 889634743 /nfs/dbraw/zinc/63/47/43/889634743.db2.gz KHLRUMYRIDZUHL-UHFFFAOYSA-N 2 0 263.345 -0.722 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC001341652516 889639400 /nfs/dbraw/zinc/63/94/00/889639400.db2.gz OFBHBLSCRCBTEB-WRWGMCAJSA-N 2 0 257.378 -0.435 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)C[C@H]1CC[NH3+] ZINC001341664080 889642217 /nfs/dbraw/zinc/64/22/17/889642217.db2.gz PBLBMPPPGCYXAA-UTUOFQBUSA-N 2 0 255.362 -0.192 20 0 CBADRP [NH3+][C@@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C12CCC2 ZINC001341656385 889642717 /nfs/dbraw/zinc/64/27/17/889642717.db2.gz SJYDLROZPKPBIQ-OXIWPEFWSA-N 2 0 265.357 -0.392 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001341672953 889645739 /nfs/dbraw/zinc/64/57/39/889645739.db2.gz RHJKBJAPNCQWLQ-FOGDFJRCSA-N 2 0 255.362 -0.444 20 0 CBADRP CCCC[NH+]1CCC(NC(=O)CNCC[NH3+])CC1 ZINC001341677326 889645764 /nfs/dbraw/zinc/64/57/64/889645764.db2.gz LLDMENRAEPYFLM-UHFFFAOYSA-N 2 0 256.394 -0.085 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001341672224 889646554 /nfs/dbraw/zinc/64/65/54/889646554.db2.gz BQFDFTJPWKLWAE-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)CC2([NH3+])CCC2)CC1 ZINC001341690582 889648490 /nfs/dbraw/zinc/64/84/90/889648490.db2.gz NQNAZSJCJIRVKO-UHFFFAOYSA-N 2 0 254.378 -0.203 20 0 CBADRP [NH3+]CC1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC(O)C1 ZINC001341683775 889648807 /nfs/dbraw/zinc/64/88/07/889648807.db2.gz JHRKTVAOGPOLGW-LKSINWNRSA-N 2 0 267.373 -0.217 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC001341683751 889649697 /nfs/dbraw/zinc/64/96/97/889649697.db2.gz IXSKSHAUCSTYJT-TUAOUCFPSA-N 2 0 257.378 -0.245 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)NCCN1CCC([NH3+])CC1 ZINC001341691007 889649916 /nfs/dbraw/zinc/64/99/16/889649916.db2.gz UDYWYPHICPXUNS-LLVKDONJSA-N 2 0 256.394 -0.086 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](N)CC[NH+](C)C ZINC001341696196 889651433 /nfs/dbraw/zinc/65/14/33/889651433.db2.gz KSQAFHAHCCPIJJ-NWDGAFQWSA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@@H](C(=O)N1CCC(OC2C[NH2+]C2)CC1)[C@H](C)[NH3+] ZINC001341708155 889651921 /nfs/dbraw/zinc/65/19/21/889651921.db2.gz MGMLFLFWZYFEJN-ZJUUUORDSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001341733045 889654540 /nfs/dbraw/zinc/65/45/40/889654540.db2.gz NTIZYLBQTVDNLG-GASQSECBSA-N 2 0 267.373 -0.302 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCC([NH+](C)C)CC1 ZINC001341733371 889655106 /nfs/dbraw/zinc/65/51/06/889655106.db2.gz OQAQJIJSZRCEMO-CMPLNLGQSA-N 2 0 257.378 -0.245 20 0 CBADRP C[C@]1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C[C@H](O)C[NH2+]1 ZINC001341754661 889657896 /nfs/dbraw/zinc/65/78/96/889657896.db2.gz WFLZPJXSGAAQJP-UHTWSYAYSA-N 2 0 253.346 -0.689 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC001341748006 889658066 /nfs/dbraw/zinc/65/80/66/889658066.db2.gz LNIQULPPSSRTQV-GHMZBOCLSA-N 2 0 257.378 -0.291 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCC1=CC[NH2+]CC1 ZINC001341749367 889658453 /nfs/dbraw/zinc/65/84/53/889658453.db2.gz BBLKSAVACZEWAQ-CYBMUJFWSA-N 2 0 282.388 -0.488 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC1(C)CC[NH2+]CC1 ZINC001341769066 889660529 /nfs/dbraw/zinc/66/05/29/889660529.db2.gz YRUDMRDCGASPNM-VXGBXAGGSA-N 2 0 266.389 -0.367 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CC1CC([NH3+])C1 ZINC001341789581 889662883 /nfs/dbraw/zinc/66/28/83/889662883.db2.gz ZVHFSNINBCWZSG-ILDUYXDCSA-N 2 0 269.345 -0.523 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]1)N1NC(=O)CC12CC[NH2+]CC2 ZINC001341779909 889662913 /nfs/dbraw/zinc/66/29/13/889662913.db2.gz HJJXVMHTEVYPHN-SNVBAGLBSA-N 2 0 266.345 -0.486 20 0 CBADRP C[C@@H]1C[C@H](C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[NH2+]1 ZINC001341795812 889666663 /nfs/dbraw/zinc/66/66/63/889666663.db2.gz JNUXUPMLPQDIEQ-UTUOFQBUSA-N 2 0 255.362 -0.131 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001341795467 889666749 /nfs/dbraw/zinc/66/67/49/889666749.db2.gz IJUBSUQVWTYJIX-WZRBSPASSA-N 2 0 255.362 -0.265 20 0 CBADRP C[NH2+][C@@H](C)C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001341828775 889668566 /nfs/dbraw/zinc/66/85/66/889668566.db2.gz YTWYIJOMHABXCG-VHSXEESVSA-N 2 0 269.345 -0.604 20 0 CBADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001341841916 889670617 /nfs/dbraw/zinc/67/06/17/889670617.db2.gz WOIOPRROCBLYMV-NWDGAFQWSA-N 2 0 254.378 -0.475 20 0 CBADRP CN(CC[NH3+])C(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC001341846498 889673095 /nfs/dbraw/zinc/67/30/95/889673095.db2.gz VYNDGSKKRIUGDJ-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001341861102 889676793 /nfs/dbraw/zinc/67/67/93/889676793.db2.gz ZORUPHLPPGYOCK-MFKMUULPSA-N 2 0 255.362 -0.456 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[C@H]1C[NH3+] ZINC001341870116 889676899 /nfs/dbraw/zinc/67/68/99/889676899.db2.gz BLLGCGYEZAYDMD-AGIUHOORSA-N 2 0 296.415 -0.373 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CCOCC1 ZINC001341888974 889679506 /nfs/dbraw/zinc/67/95/06/889679506.db2.gz IBJQICKLCYSUEY-OUAUKWLOSA-N 2 0 255.362 -0.064 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC001341942743 889685863 /nfs/dbraw/zinc/68/58/63/889685863.db2.gz IPCANSJVYYTQNI-RTXFEEFZSA-N 2 0 266.389 -0.430 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC001341942746 889686980 /nfs/dbraw/zinc/68/69/80/889686980.db2.gz IPCANSJVYYTQNI-WXHSDQCUSA-N 2 0 266.389 -0.430 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001341960027 889689085 /nfs/dbraw/zinc/68/90/85/889689085.db2.gz YEHABNRGMPCICI-IJLUTSLNSA-N 2 0 255.362 -0.192 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001341951782 889689251 /nfs/dbraw/zinc/68/92/51/889689251.db2.gz RVMZUFRZSISZKK-RYUDHWBXSA-N 2 0 267.373 -0.035 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001341971366 889691399 /nfs/dbraw/zinc/69/13/99/889691399.db2.gz YBKBBAXAAPVOJR-JSGCOSHPSA-N 2 0 266.389 -0.365 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001341969522 889692007 /nfs/dbraw/zinc/69/20/07/889692007.db2.gz ZPCXYPUHRIDHOL-UHFFFAOYSA-N 2 0 255.362 -0.033 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001342010224 889697754 /nfs/dbraw/zinc/69/77/54/889697754.db2.gz HNDDMGWWMPOZRO-JSGCOSHPSA-N 2 0 267.373 -0.320 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001342037338 889702292 /nfs/dbraw/zinc/70/22/92/889702292.db2.gz SNROPTAMQMALCL-GVXVVHGQSA-N 2 0 268.405 -0.123 20 0 CBADRP C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@H]1C[N@H+](C)CCN1C ZINC001342033148 889703347 /nfs/dbraw/zinc/70/33/47/889703347.db2.gz CPMIKFJCWBRHLM-JHJVBQTASA-N 2 0 268.405 -0.264 20 0 CBADRP C[C@H](NC(=O)C[NH2+]CC1CC1)[C@H]1C[N@H+](C)CCN1C ZINC001342036615 889703808 /nfs/dbraw/zinc/70/38/08/889703808.db2.gz QSKUNWDYAVLHDO-WCQYABFASA-N 2 0 268.405 -0.264 20 0 CBADRP [NH3+]C[C@@H](O)CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC001342151449 889720526 /nfs/dbraw/zinc/72/05/26/889720526.db2.gz ZYILSYUUALVKEX-LLVKDONJSA-N 2 0 266.345 -0.538 20 0 CBADRP COC[C@]1(C(=O)N2CCC3(C[NH2+]C3)CC2)CC[NH2+]C1 ZINC001342171453 889722406 /nfs/dbraw/zinc/72/24/06/889722406.db2.gz GSQOBEREDMPMRI-AWEZNQCLSA-N 2 0 267.373 -0.176 20 0 CBADRP [NH3+][C@H]1C[C@@H](NC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC001342170979 889723853 /nfs/dbraw/zinc/72/38/53/889723853.db2.gz ROQDBNCISPFIBG-PHIMTYICSA-N 2 0 263.345 -0.432 20 0 CBADRP O=C(NCC1(O)C[NH2+]C1)[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 ZINC001342192142 889728817 /nfs/dbraw/zinc/72/88/17/889728817.db2.gz ZHOLFTRMXIMQFS-IJLUTSLNSA-N 2 0 267.373 -0.395 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001342188162 889729261 /nfs/dbraw/zinc/72/92/61/889729261.db2.gz HUROBEAVRCJPCB-BREBYQMCSA-N 2 0 269.345 -0.332 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001342187818 889730540 /nfs/dbraw/zinc/73/05/40/889730540.db2.gz OWYBQXYWXLAAJY-VFZGUZRASA-N 2 0 253.346 -0.238 20 0 CBADRP [NH3+]CCNCC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001342220139 889732261 /nfs/dbraw/zinc/73/22/61/889732261.db2.gz NQYWRKOHZRIZES-IUCAKERBSA-N 2 0 282.310 -0.480 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001342220650 889733808 /nfs/dbraw/zinc/73/38/08/889733808.db2.gz PUZJUWXEADQVBA-LBPRGKRZSA-N 2 0 285.388 -0.551 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001342222933 889734042 /nfs/dbraw/zinc/73/40/42/889734042.db2.gz ZUEUUSABBWOGKM-RVMXOQNASA-N 2 0 266.389 -0.369 20 0 CBADRP [NH3+][C@H](CO)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC001342230080 889736482 /nfs/dbraw/zinc/73/64/82/889736482.db2.gz BJGKDAMMFQYZBJ-NEPJUHHUSA-N 2 0 265.313 -0.394 20 0 CBADRP O=C(C1=CCC[NH2+]CC1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001342250291 889739273 /nfs/dbraw/zinc/73/92/73/889739273.db2.gz OQIQFCHQCSEESJ-CYBMUJFWSA-N 2 0 267.373 -0.131 20 0 CBADRP O=C(CCCCC1CC[NH2+]CC1)N[C@H]1C[NH2+]C[C@H]1O ZINC001342264406 889740850 /nfs/dbraw/zinc/74/08/50/889740850.db2.gz AFLOLEXVKHXNKX-QWHCGFSZSA-N 2 0 269.389 -0.005 20 0 CBADRP O=C([C@@H]1[NH2+]CC12CCOCC2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001342272217 889743545 /nfs/dbraw/zinc/74/35/45/889743545.db2.gz KJJBVRDPUFYSQI-TUAOUCFPSA-N 2 0 265.357 -0.282 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001342283183 889746414 /nfs/dbraw/zinc/74/64/14/889746414.db2.gz BPQLRAAEHYVUHE-GHMZBOCLSA-N 2 0 253.346 -0.567 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001342302184 889750546 /nfs/dbraw/zinc/75/05/46/889750546.db2.gz QEGZSDPWGNVRBX-VXGBXAGGSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC001342348958 889757855 /nfs/dbraw/zinc/75/78/55/889757855.db2.gz NLHVXTVUCIUZHK-BDAKNGLRSA-N 2 0 265.304 -0.730 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC001342350894 889759052 /nfs/dbraw/zinc/75/90/52/889759052.db2.gz VPGGJYFOZDGXER-GVXVVHGQSA-N 2 0 257.378 -0.067 20 0 CBADRP C[C@H]1CN(C(=O)CNCC[NH3+])CCN1c1cc[nH+]cc1 ZINC001342365565 889762097 /nfs/dbraw/zinc/76/20/97/889762097.db2.gz QSQPHGRPZJBPOK-LBPRGKRZSA-N 2 0 277.372 -0.333 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001342393072 889766558 /nfs/dbraw/zinc/76/65/58/889766558.db2.gz SGBJAHUIZMLJJE-WYUUTHIRSA-N 2 0 252.362 -0.772 20 0 CBADRP CCN(C(=O)[C@H]1CCCN(CC[NH3+])C1=O)[C@H]1CC[NH2+]C1 ZINC001342473195 889780501 /nfs/dbraw/zinc/78/05/01/889780501.db2.gz ATPSCFLICXSZGU-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC001342463172 889780993 /nfs/dbraw/zinc/78/09/93/889780993.db2.gz VYLNSCMFOFTJJV-LLVKDONJSA-N 2 0 254.378 -0.475 20 0 CBADRP CCN(C(=O)[C@H]1CCCN(CC[NH3+])C1=O)[C@@H]1CC[NH2+]C1 ZINC001342473190 889782252 /nfs/dbraw/zinc/78/22/52/889782252.db2.gz ATPSCFLICXSZGU-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP CC1(C)CN(C(=O)C[NH2+]C[C@H]2CCCO2)C[C@@H]1[NH3+] ZINC001342507419 889786929 /nfs/dbraw/zinc/78/69/29/889786929.db2.gz YURXQBQOCUDOCP-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)c1c(C[NH3+])cnn1C ZINC001342514440 889786971 /nfs/dbraw/zinc/78/69/71/889786971.db2.gz MOJMPIVZCIUPCK-NXEZZACHSA-N 2 0 265.361 -0.146 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)NCCN1CCC([NH3+])CC1 ZINC001342549715 889791677 /nfs/dbraw/zinc/79/16/77/889791677.db2.gz VXNRGDUGWZMHLC-SNVBAGLBSA-N 2 0 254.378 -0.334 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)NCCN1CCC([NH3+])CC1 ZINC001342549713 889791965 /nfs/dbraw/zinc/79/19/65/889791965.db2.gz VXNRGDUGWZMHLC-JTQLQIEISA-N 2 0 254.378 -0.334 20 0 CBADRP C[C@@H]1[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC001342567343 889792626 /nfs/dbraw/zinc/79/26/26/889792626.db2.gz ANTLHHSRMHKWFR-GMTAPVOTSA-N 2 0 268.361 -0.937 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)N1NC(=O)CC12CC[NH2+]CC2 ZINC001342564345 889793531 /nfs/dbraw/zinc/79/35/31/889793531.db2.gz IYVITGKJLVUWAQ-VIFPVBQESA-N 2 0 266.345 -0.487 20 0 CBADRP C[C@@H]1[C@H](NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[N@@H+]1C ZINC001342571782 889795722 /nfs/dbraw/zinc/79/57/22/889795722.db2.gz YMVUHMGICRPZBA-GRYCIOLGSA-N 2 0 282.388 -0.608 20 0 CBADRP CC1(C)CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C[C@@H]1[NH3+] ZINC001342575515 889796293 /nfs/dbraw/zinc/79/62/93/889796293.db2.gz VTPCTEZILKQCKQ-KWBADKCTSA-N 2 0 253.346 -0.582 20 0 CBADRP [NH3+]CCNCC(=O)N1C[C@@H](C[NH3+])Cc2cc(F)ccc21 ZINC001342605455 889797570 /nfs/dbraw/zinc/79/75/70/889797570.db2.gz DHCSGWJUWFDEJC-SNVBAGLBSA-N 2 0 280.347 -0.162 20 0 CBADRP CC[C@H]([NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1)C(N)=O ZINC001448794030 913383451 /nfs/dbraw/zinc/38/34/51/913383451.db2.gz XAHLDKJUNFPNAD-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001342669740 889813329 /nfs/dbraw/zinc/81/33/29/889813329.db2.gz UXBSGALGCOHDPA-QJPTWQEYSA-N 2 0 253.346 -0.567 20 0 CBADRP C[C@H](C[NH3+])C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001342688814 889816498 /nfs/dbraw/zinc/81/64/98/889816498.db2.gz DINQWGPYLJRZDX-ZJUUUORDSA-N 2 0 269.345 -0.617 20 0 CBADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001342697175 889818971 /nfs/dbraw/zinc/81/89/71/889818971.db2.gz ZCILDLHYGDOCJL-AVGNSLFASA-N 2 0 267.373 -0.204 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC001342720959 889821161 /nfs/dbraw/zinc/82/11/61/889821161.db2.gz ARFKCVMRAKRWBG-AAEUAGOBSA-N 2 0 255.362 -0.312 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC001342724391 889821188 /nfs/dbraw/zinc/82/11/88/889821188.db2.gz WUZLKAHWKGEKDY-GMXVVIOVSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H](N)CC[NH+](C)C)CC[C@H]1C[NH3+] ZINC001342737757 889824978 /nfs/dbraw/zinc/82/49/78/889824978.db2.gz DQMSZDOEKYGDAI-WOPDTQHZSA-N 2 0 256.394 -0.291 20 0 CBADRP [NH3+][C@H]1C[C@@H](NC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)C1 ZINC001342844992 889834602 /nfs/dbraw/zinc/83/46/02/889834602.db2.gz ZDEVBSLADMSDGH-SBMIAAHKSA-N 2 0 252.318 -0.509 20 0 CBADRP CC[NH2+]CCCNC(=O)C[NH+]1CCC(CO)CC1 ZINC001343019072 889854086 /nfs/dbraw/zinc/85/40/86/889854086.db2.gz BEKDULQJCMHOGK-UHFFFAOYSA-N 2 0 257.378 -0.194 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC001342996251 889855927 /nfs/dbraw/zinc/85/59/27/889855927.db2.gz XBUXEJPVXBFZFW-IJLUTSLNSA-N 2 0 255.362 -0.179 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001343036933 889857648 /nfs/dbraw/zinc/85/76/48/889857648.db2.gz ISQMARFVRWDJAK-UPJWGTAASA-N 2 0 268.405 -0.136 20 0 CBADRP CN1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+](C)CC1 ZINC001343025863 889859607 /nfs/dbraw/zinc/85/96/07/889859607.db2.gz OUYDJWGNDLFJPR-ITGUQSILSA-N 2 0 266.389 -0.842 20 0 CBADRP C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1CCN(C)CC1 ZINC001343072217 889865739 /nfs/dbraw/zinc/86/57/39/889865739.db2.gz RNTWTHMBNIIVNZ-QNWHQSFQSA-N 2 0 266.389 -0.369 20 0 CBADRP COCC1(C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC[NH2+]CC1 ZINC001343084712 889867435 /nfs/dbraw/zinc/86/74/35/889867435.db2.gz CSVOQONISVQSLS-XYPYZODXSA-N 2 0 255.362 -0.144 20 0 CBADRP C[N@@H+]1CCCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001343191214 889875928 /nfs/dbraw/zinc/87/59/28/889875928.db2.gz LVSSMLLJIJJVTG-OBJOEFQTSA-N 2 0 267.373 -0.177 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC001343199451 889877373 /nfs/dbraw/zinc/87/73/73/889877373.db2.gz CJMKSWPYVRPAHY-XWLWVQCSSA-N 2 0 253.346 -0.264 20 0 CBADRP C[NH+](C)CC1CCN(C(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001343373528 889896826 /nfs/dbraw/zinc/89/68/26/889896826.db2.gz DWVZNBYPNHSOBV-UHFFFAOYSA-N 2 0 269.389 -0.114 20 0 CBADRP CC[N@H+](CCNC(=O)C1(C[NH3+])CC(O)C1)C1CC1 ZINC001343419053 889901236 /nfs/dbraw/zinc/90/12/36/889901236.db2.gz BFQYTOZHTLZKRB-UHFFFAOYSA-N 2 0 255.362 -0.313 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H](C)[C@H](O)C[NH2+]C)C1CC1 ZINC001343419651 889903880 /nfs/dbraw/zinc/90/38/80/889903880.db2.gz FVAZNQJASDCXMT-CMPLNLGQSA-N 2 0 257.378 -0.197 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001343421161 889905500 /nfs/dbraw/zinc/90/55/00/889905500.db2.gz NOSUVIBDMSFMQS-NTZNESFSSA-N 2 0 255.362 -0.348 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)C23CC(C2)C[NH2+]3)CC1 ZINC001343451145 889914108 /nfs/dbraw/zinc/91/41/08/889914108.db2.gz ACSWPKXNAFBNFT-UHFFFAOYSA-N 2 0 280.416 -0.118 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001343472025 889915331 /nfs/dbraw/zinc/91/53/31/889915331.db2.gz CBHFNSHFIXOXPH-NTZNESFSSA-N 2 0 255.362 -0.123 20 0 CBADRP C[C@]1(CNC(=O)C[C@@]2(O)CCC[NH2+]C2)CCC[NH2+]C1 ZINC001343469489 889915576 /nfs/dbraw/zinc/91/55/76/889915576.db2.gz ZQILZOLMMYBVQK-KBPBESRZSA-N 2 0 269.389 -0.003 20 0 CBADRP C[C@@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)[C@H]1C[N@H+](C)CCN1C ZINC001343487590 889918806 /nfs/dbraw/zinc/91/88/06/889918806.db2.gz FHGWEDGSMNDTMS-QNWHQSFQSA-N 2 0 268.405 -0.265 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[C@H]1[NH3+] ZINC001343489461 889922947 /nfs/dbraw/zinc/92/29/47/889922947.db2.gz SMPKVNPHQOCECN-JHJVBQTASA-N 2 0 296.415 -0.231 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@@H]1C[N@H+](C)CCN1C ZINC001343492902 889923128 /nfs/dbraw/zinc/92/31/28/889923128.db2.gz WKERLNODCCCXKZ-NDBYEHHHSA-N 2 0 268.405 -0.136 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001343506741 889926734 /nfs/dbraw/zinc/92/67/34/889926734.db2.gz TTZDEGIQMKGSHC-HOTUBEGUSA-N 2 0 254.334 -0.263 20 0 CBADRP C[NH2+]C1(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)CCC1 ZINC001343582219 889934525 /nfs/dbraw/zinc/93/45/25/889934525.db2.gz JJMZWSRNNRYWOV-NWDGAFQWSA-N 2 0 268.405 -0.121 20 0 CBADRP COC[C@@]1(C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCC[NH2+]1 ZINC001343574281 889935012 /nfs/dbraw/zinc/93/50/12/889935012.db2.gz IKUMAZBVYMKSIB-OWTLIXCDSA-N 2 0 267.373 -0.179 20 0 CBADRP C[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)[C@H]1C[N@H+](C)CCN1C ZINC001343582908 889935445 /nfs/dbraw/zinc/93/54/45/889935445.db2.gz MLNWKQHHRIODJG-SCRDCRAPSA-N 2 0 268.405 -0.264 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CC[NH2+]CC3)[C@H]2C1 ZINC001343592653 889938303 /nfs/dbraw/zinc/93/83/03/889938303.db2.gz PIBCLQWRCVQQLC-RWMBFGLXSA-N 2 0 266.389 -0.652 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@H]3C[NH2+]CCO3)[C@@H]2C1 ZINC001343592692 889938349 /nfs/dbraw/zinc/93/83/49/889938349.db2.gz QGLAOGLRPZUICZ-WHOHXGKFSA-N 2 0 253.346 -0.569 20 0 CBADRP [NH3+]CCNCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC001343686735 889946161 /nfs/dbraw/zinc/94/61/61/889946161.db2.gz PBEXDSVPRNKQSV-WCQYABFASA-N 2 0 280.347 -0.373 20 0 CBADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001344010863 889990027 /nfs/dbraw/zinc/99/00/27/889990027.db2.gz GOKJZBIZLOAQDD-WGPFEIJOSA-N 2 0 265.357 -0.211 20 0 CBADRP [NH3+]CCNCC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC001344022964 889990655 /nfs/dbraw/zinc/99/06/55/889990655.db2.gz KYJDPIMFODPFIK-ZDUSSCGKSA-N 2 0 278.356 -0.166 20 0 CBADRP Cn1nccc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001448819144 913402891 /nfs/dbraw/zinc/40/28/91/913402891.db2.gz DUZXTHHCBPVDRG-WCQYABFASA-N 2 0 295.387 -0.919 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001344344949 890017665 /nfs/dbraw/zinc/01/76/65/890017665.db2.gz VLCABEXPILRPIS-OCCSQVGLSA-N 2 0 285.388 -0.693 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C[NH2+]1 ZINC001344356105 890017768 /nfs/dbraw/zinc/01/77/68/890017768.db2.gz ATJNAIXVKIRNIP-OPDFLTKYSA-N 2 0 267.373 -0.131 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001344375014 890019823 /nfs/dbraw/zinc/01/98/23/890019823.db2.gz QLQYXERSPPFUKX-IUCAKERBSA-N 2 0 265.304 -0.458 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1[NH2+]CC12CCCC2 ZINC001344368358 890020415 /nfs/dbraw/zinc/02/04/15/890020415.db2.gz JENCKFCJBYPCJO-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@]1(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C[C@H](O)C[NH2+]1 ZINC001344422442 890026077 /nfs/dbraw/zinc/02/60/77/890026077.db2.gz UCTNSGBLKYNXOH-MJVIPROJSA-N 2 0 269.389 -0.006 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001344434821 890025921 /nfs/dbraw/zinc/02/59/21/890025921.db2.gz DWRCTMQJPGBPMQ-GBIKHYSHSA-N 2 0 266.345 -0.630 20 0 CBADRP COC[C@]1(C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC[NH2+]C1 ZINC001344766950 890062235 /nfs/dbraw/zinc/06/22/35/890062235.db2.gz SWEQUWMGURFLGA-MFKMUULPSA-N 2 0 255.362 -0.192 20 0 CBADRP C[NH2+]CCN(C(=O)C[C@]1(O)CCC[NH2+]C1)C(C)C ZINC001344811556 890068220 /nfs/dbraw/zinc/06/82/20/890068220.db2.gz DAVOTANFWCIELH-CYBMUJFWSA-N 2 0 257.378 -0.053 20 0 CBADRP [NH3+]CCOCC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001344929439 890080907 /nfs/dbraw/zinc/08/09/07/890080907.db2.gz ACUYMAKXVWLVDE-UHFFFAOYSA-N 2 0 272.393 -0.847 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001345138158 890103513 /nfs/dbraw/zinc/10/35/13/890103513.db2.gz AUQREMIAZQXIKG-AWEZNQCLSA-N 2 0 266.389 -0.364 20 0 CBADRP O=C([C@H]1CCC[NH2+]1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001345118511 890103698 /nfs/dbraw/zinc/10/36/98/890103698.db2.gz AEJPMOBLWFHYLW-LLVKDONJSA-N 2 0 253.346 -0.281 20 0 CBADRP COCC(=O)NC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001345160033 890105102 /nfs/dbraw/zinc/10/51/02/890105102.db2.gz PUJPGMJMMKLJIN-PHIMTYICSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[C@@H](C)[NH2+]C ZINC001345196773 890110207 /nfs/dbraw/zinc/11/02/07/890110207.db2.gz GEGNRLVJUARGJD-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC001345186364 890111084 /nfs/dbraw/zinc/11/10/84/890111084.db2.gz NUALURXEJTWZJT-GHMZBOCLSA-N 2 0 284.404 -0.301 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)[C@@]3(C)C[C@@H](O)C[NH2+]3)C[C@]2(C)C1 ZINC001345391772 890124022 /nfs/dbraw/zinc/12/40/22/890124022.db2.gz MFNGQWBVZFAFCA-MHDGFBEUSA-N 2 0 267.373 -0.491 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001345501067 890138370 /nfs/dbraw/zinc/13/83/70/890138370.db2.gz JGPSEEQZOMELLL-LBELIVKGSA-N 2 0 264.373 -0.616 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC(C)(C)[NH+](C)C ZINC001345527879 890138529 /nfs/dbraw/zinc/13/85/29/890138529.db2.gz XRSSYLDUDANKFU-VXGBXAGGSA-N 2 0 268.405 -0.169 20 0 CBADRP COCCCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001345605466 890146313 /nfs/dbraw/zinc/14/63/13/890146313.db2.gz JIIFDDSFAVNTNN-CYBMUJFWSA-N 2 0 259.394 -0.389 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC001345655991 890150953 /nfs/dbraw/zinc/15/09/53/890150953.db2.gz LKXIKHCQGSXYIY-AIMRDXAKSA-N 2 0 267.373 -0.011 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC1=CC[NH2+]CC1 ZINC001345826055 890169874 /nfs/dbraw/zinc/16/98/74/890169874.db2.gz OTIXNIQSGZKJLE-GFCCVEGCSA-N 2 0 280.372 -0.719 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001345904052 890177418 /nfs/dbraw/zinc/17/74/18/890177418.db2.gz NXXLNHXQOFZMIU-PKZYVASSSA-N 2 0 265.361 -0.344 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001345897807 890177734 /nfs/dbraw/zinc/17/77/34/890177734.db2.gz XQNLLUYQFHLAEM-MNOVXSKESA-N 2 0 266.349 -0.362 20 0 CBADRP CC(=O)NC[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC001346016594 890195468 /nfs/dbraw/zinc/19/54/68/890195468.db2.gz CZMNMVXSMQYSGW-AWEZNQCLSA-N 2 0 268.405 -0.260 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(CC(=O)N2CC[NH2+]CC2)C1 ZINC001346018690 890198269 /nfs/dbraw/zinc/19/82/69/890198269.db2.gz ZJFWFQSKBZQMEY-NWDGAFQWSA-N 2 0 254.378 -0.523 20 0 CBADRP CC1(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC001346045545 890200777 /nfs/dbraw/zinc/20/07/77/890200777.db2.gz DRSTZLVQSWQVEW-SNVBAGLBSA-N 2 0 268.361 -0.887 20 0 CBADRP [NH3+]C[C@H]1CCCN(C(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001346056536 890204847 /nfs/dbraw/zinc/20/48/47/890204847.db2.gz AHQWPQGTCCDWKM-DGCLKSJQSA-N 2 0 255.362 -0.312 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001346057534 890208827 /nfs/dbraw/zinc/20/88/27/890208827.db2.gz OELGDWRTFKAYPL-ZBOXLXRLSA-N 2 0 255.362 -0.456 20 0 CBADRP [NH3+]CCCNC(=O)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC001346056950 890209107 /nfs/dbraw/zinc/20/91/07/890209107.db2.gz GHDAXSWCNUXPSJ-IJLUTSLNSA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH+]1CCN(CCC[NH2+]C[C@@H](O)C2(O)CCC2)CC1 ZINC001346150195 890225793 /nfs/dbraw/zinc/22/57/93/890225793.db2.gz JVHQPTBJPRGSDP-CYBMUJFWSA-N 2 0 271.405 -0.511 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001346164290 890229141 /nfs/dbraw/zinc/22/91/41/890229141.db2.gz WTTBJVQDNSFKLC-FOBZMYGMSA-N 2 0 252.362 -0.724 20 0 CBADRP CCOC[C@H](O)C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC001346204220 890238409 /nfs/dbraw/zinc/23/84/09/890238409.db2.gz QXOYRHZRFOJPFQ-QWHCGFSZSA-N 2 0 259.394 -0.391 20 0 CBADRP C[C@H](NC(=O)C12CC(C1)C[NH2+]2)[C@H]1C[N@H+](C)CCN1C ZINC001346229680 890245309 /nfs/dbraw/zinc/24/53/09/890245309.db2.gz WFXIZHMNSNQWAX-WDBLDGLGSA-N 2 0 266.389 -0.511 20 0 CBADRP [NH3+]C[C@@H]1CCCC12CCN(C(=O)[C@H]([NH3+])CO)CC2 ZINC001346297164 890260481 /nfs/dbraw/zinc/26/04/81/890260481.db2.gz ZAJDKFQSTJSLCD-WDEREUQCSA-N 2 0 255.362 -0.326 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC001346318846 890268420 /nfs/dbraw/zinc/26/84/20/890268420.db2.gz HWPZNHQXNHAIPB-ZDUSSCGKSA-N 2 0 268.405 -0.260 20 0 CBADRP C[C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC001346333138 890269660 /nfs/dbraw/zinc/26/96/60/890269660.db2.gz PGGIIHMNGUWGGE-KGLIPLIRSA-N 2 0 299.463 -0.735 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)c1cn(CC[NH3+])nn1 ZINC001346334361 890271631 /nfs/dbraw/zinc/27/16/31/890271631.db2.gz LCLZMUIKIDXNBI-UHFFFAOYSA-N 2 0 266.349 -0.692 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)N1CCC[C@]12CC[NH2+]C2 ZINC001346461788 890297071 /nfs/dbraw/zinc/29/70/71/890297071.db2.gz DLSIMPVHPFIEFF-OAHLLOKOSA-N 2 0 295.431 -0.181 20 0 CBADRP C[C@@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC001346464847 890298751 /nfs/dbraw/zinc/29/87/51/890298751.db2.gz XZFDHDHGEUREJO-KGLIPLIRSA-N 2 0 297.447 -0.092 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001346514604 890312397 /nfs/dbraw/zinc/31/23/97/890312397.db2.gz HFCRIIALFZZPPN-PHIMTYICSA-N 2 0 270.377 -0.832 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001346513037 890312695 /nfs/dbraw/zinc/31/26/95/890312695.db2.gz GUTWGVNNNZEQDZ-CYBMUJFWSA-N 2 0 285.436 -0.031 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001346513038 890312974 /nfs/dbraw/zinc/31/29/74/890312974.db2.gz GUTWGVNNNZEQDZ-ZDUSSCGKSA-N 2 0 285.436 -0.031 20 0 CBADRP CC[NH+](CC)CC(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001448884993 913439531 /nfs/dbraw/zinc/43/95/31/913439531.db2.gz ORWXHUTWSJFTAO-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001347061568 890396754 /nfs/dbraw/zinc/39/67/54/890396754.db2.gz QRFFRCDXXSYISO-SSDOTTSWSA-N 2 0 268.321 -0.823 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001347061569 890396790 /nfs/dbraw/zinc/39/67/90/890396790.db2.gz QRFFRCDXXSYISO-ZETCQYMHSA-N 2 0 268.321 -0.823 20 0 CBADRP C[NH2+][C@@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1cnn(C)c1 ZINC001347157510 890417881 /nfs/dbraw/zinc/41/78/81/890417881.db2.gz NNSOUWGGAITDTR-GMTAPVOTSA-N 2 0 269.324 -0.422 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC001347160184 890421014 /nfs/dbraw/zinc/42/10/14/890421014.db2.gz NMXXAADFHMCUEV-BZUNDVKYSA-N 2 0 294.399 -0.654 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC001347160186 890422123 /nfs/dbraw/zinc/42/21/23/890422123.db2.gz NMXXAADFHMCUEV-XIKARTHZSA-N 2 0 294.399 -0.654 20 0 CBADRP C[C@H](F)CC[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001448947772 913467922 /nfs/dbraw/zinc/46/79/22/913467922.db2.gz OGLBDNZMWFYSDQ-NWDGAFQWSA-N 2 0 287.379 -0.103 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001348416450 890621648 /nfs/dbraw/zinc/62/16/48/890621648.db2.gz XFBRWBVGMLNGHX-OLZOCXBDSA-N 2 0 268.405 -0.167 20 0 CBADRP OCC[NH2+]C1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC001348562645 890651313 /nfs/dbraw/zinc/65/13/13/890651313.db2.gz MTMRBGKVDKQQIY-CYBMUJFWSA-N 2 0 269.389 -0.446 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001348575343 890653940 /nfs/dbraw/zinc/65/39/40/890653940.db2.gz WPMURBKSEDXUNX-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP [NH3+]Cc1cc(C(=O)NC[C@@H]2C[NH2+]CCO2)ccn1 ZINC001348942969 890731807 /nfs/dbraw/zinc/73/18/07/890731807.db2.gz JHKKJVPDMPEEJJ-NSHDSACASA-N 2 0 250.302 -0.742 20 0 CBADRP C[NH+](C)C[C@]1(O)CCN(C(=O)C2([NH+](C)C)CC2)C1 ZINC001348966784 890738223 /nfs/dbraw/zinc/73/82/23/890738223.db2.gz XPUYBICXPPKWNG-GFCCVEGCSA-N 2 0 255.362 -0.394 20 0 CBADRP C[NH+]1CC[C@@H](C(=O)NCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001349024613 890746153 /nfs/dbraw/zinc/74/61/53/890746153.db2.gz OCEZUMQECFZOQM-VXGBXAGGSA-N 2 0 282.388 -0.878 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCNC(=O)C[NH+]2CCCC2)C1 ZINC001349028429 890750001 /nfs/dbraw/zinc/75/00/01/890750001.db2.gz DPESETBJQCLLAS-ZDUSSCGKSA-N 2 0 296.415 -0.344 20 0 CBADRP C[NH+](C)CCCC(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001349025790 890750126 /nfs/dbraw/zinc/75/01/26/890750126.db2.gz UZZJNTNTMOCVFJ-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP C[C@H](CCO)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001349326246 890797331 /nfs/dbraw/zinc/79/73/31/890797331.db2.gz VHCAQSRRTRFEGW-UONOGXRCSA-N 2 0 273.421 -0.407 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)nn1 ZINC001349399167 890805605 /nfs/dbraw/zinc/80/56/05/890805605.db2.gz YUIHCGOFOZBYLY-AAEUAGOBSA-N 3 0 264.377 -0.017 20 0 CBADRP [NH3+][C@@H]1CC=C(C(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC001349595633 890844239 /nfs/dbraw/zinc/84/42/39/890844239.db2.gz BTKZNRIZAYXSIF-GFCCVEGCSA-N 2 0 267.373 -0.003 20 0 CBADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC001349597275 890844361 /nfs/dbraw/zinc/84/43/61/890844361.db2.gz VEEQGIIMTWOSLT-AAEUAGOBSA-N 2 0 287.379 -0.103 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC001349611803 890848901 /nfs/dbraw/zinc/84/89/01/890848901.db2.gz GXRFHUZKKUDVCC-VHSXEESVSA-N 2 0 266.349 -0.503 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC001349657138 890860540 /nfs/dbraw/zinc/86/05/40/890860540.db2.gz YSQFRYBHZPIDGO-YPMHNXCESA-N 2 0 256.394 -0.229 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC001349657136 890861881 /nfs/dbraw/zinc/86/18/81/890861881.db2.gz YSQFRYBHZPIDGO-WCQYABFASA-N 2 0 256.394 -0.229 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001349817066 890898319 /nfs/dbraw/zinc/89/83/19/890898319.db2.gz GOIKVHAVYSAMNT-SRVKXCTJSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC001349996099 890921347 /nfs/dbraw/zinc/92/13/47/890921347.db2.gz VJWBEZWKJGIDTD-WYUUTHIRSA-N 2 0 282.388 -0.561 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001350069792 890931707 /nfs/dbraw/zinc/93/17/07/890931707.db2.gz QRLJXYSLDYNZTI-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP O=C(C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC001350092296 890936923 /nfs/dbraw/zinc/93/69/23/890936923.db2.gz HEHUGPPRJGVDNZ-QWHCGFSZSA-N 2 0 267.373 -0.081 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCC[NH3+])C1 ZINC001350331646 890964437 /nfs/dbraw/zinc/96/44/37/890964437.db2.gz AKYMCZJLEVKXRO-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001449101864 913507504 /nfs/dbraw/zinc/50/75/04/913507504.db2.gz YNPNFHUALUHIEF-LLVKDONJSA-N 2 0 284.404 -0.489 20 0 CBADRP C[NH2+]CCN(C)C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001350396583 890977583 /nfs/dbraw/zinc/97/75/83/890977583.db2.gz DMHKXONHNYXSCC-VIFPVBQESA-N 2 0 251.334 -0.222 20 0 CBADRP CN(C(=O)[C@H]1CCO[C@H]1C[NH3+])C1CC[NH+](C)CC1 ZINC001350405290 890979985 /nfs/dbraw/zinc/97/99/85/890979985.db2.gz NNOCPNXMJWBGLA-RYUDHWBXSA-N 2 0 255.362 -0.097 20 0 CBADRP [NH3+]C1CCN(Cc2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC001350684286 891021601 /nfs/dbraw/zinc/02/16/01/891021601.db2.gz GTICDOOIODGCTE-LBPRGKRZSA-N 2 0 250.350 -0.264 20 0 CBADRP CN1CC[C@H]1CNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC001351133276 891109686 /nfs/dbraw/zinc/10/96/86/891109686.db2.gz OEGINTPPVHBSRJ-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP COC[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001449181658 913532098 /nfs/dbraw/zinc/53/20/98/913532098.db2.gz DNSWUKGJVSATPJ-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC001352737085 891286237 /nfs/dbraw/zinc/28/62/37/891286237.db2.gz IEPYVOAVKXYJDV-MNOVXSKESA-N 2 0 254.378 -0.476 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC001352824348 891301912 /nfs/dbraw/zinc/30/19/12/891301912.db2.gz LEWPMPSTHUUBEX-VIFPVBQESA-N 2 0 251.334 -0.392 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001352826610 891301827 /nfs/dbraw/zinc/30/18/27/891301827.db2.gz ZYIMEABMDPADHK-LJQANCHMSA-N 2 0 289.445 -0.009 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)c2c(C[NH3+])cnn2C)CC[NH2+]1 ZINC001352839689 891306010 /nfs/dbraw/zinc/30/60/10/891306010.db2.gz QALSUUIZHPZFPI-WPRPVWTQSA-N 2 0 251.334 -0.251 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)C[NH+](C)CCO)C1 ZINC001449220925 913545564 /nfs/dbraw/zinc/54/55/64/913545564.db2.gz XXTKKJNBZZRCNK-STQMWFEESA-N 2 0 287.404 -0.928 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC001353075861 891354868 /nfs/dbraw/zinc/35/48/68/891354868.db2.gz FFZUCQMCFJPFDI-CSMHCCOUSA-N 2 0 269.267 -0.444 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2[NH2+]CC23CCOCC3)C1 ZINC001353071359 891356497 /nfs/dbraw/zinc/35/64/97/891356497.db2.gz ITEOZJJOFNUJHO-VXGBXAGGSA-N 2 0 267.373 -0.177 20 0 CBADRP COCC[NH2+]CC(=O)N(CC[NH3+])CC(F)(F)F ZINC001353090065 891357853 /nfs/dbraw/zinc/35/78/53/891357853.db2.gz UZLNZEJNQLLZGP-UHFFFAOYSA-N 2 0 257.256 -0.428 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC001353122318 891362446 /nfs/dbraw/zinc/36/24/46/891362446.db2.gz QJGBDUSOVQZTHR-DGCLKSJQSA-N 2 0 296.415 -0.217 20 0 CBADRP [NH3+]Cc1nc(CC(=O)NCCCN2CC[NH2+]CC2)cs1 ZINC001353193006 891378066 /nfs/dbraw/zinc/37/80/66/891378066.db2.gz DZEYXMWSRIOJIG-UHFFFAOYSA-N 2 0 297.428 -0.444 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC001353200520 891380565 /nfs/dbraw/zinc/38/05/65/891380565.db2.gz CGCKAESNQYSLSD-CYBMUJFWSA-N 2 0 284.404 -0.754 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001353201568 891381708 /nfs/dbraw/zinc/38/17/08/891381708.db2.gz RWIOFVFCAPSKCT-GXFFZTMASA-N 2 0 268.361 -0.001 20 0 CBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC001353194128 891381881 /nfs/dbraw/zinc/38/18/81/891381881.db2.gz NGKWTPPNHNNWJI-AVGNSLFASA-N 2 0 296.415 -0.312 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001353237221 891385686 /nfs/dbraw/zinc/38/56/86/891385686.db2.gz BMHOKDLYNZVXCH-STQMWFEESA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@@H+]1C ZINC001353258229 891388762 /nfs/dbraw/zinc/38/87/62/891388762.db2.gz AVQNPPWVPQPWRE-RHYQMDGZSA-N 2 0 280.372 -0.842 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001353261097 891389488 /nfs/dbraw/zinc/38/94/88/891389488.db2.gz RASRWQWPOQFBTQ-XQHKEYJVSA-N 2 0 296.415 -0.077 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC001353285512 891391161 /nfs/dbraw/zinc/39/11/61/891391161.db2.gz NCWUUVVXZSPGMV-DGCLKSJQSA-N 2 0 296.415 -0.217 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC001353299300 891394265 /nfs/dbraw/zinc/39/42/65/891394265.db2.gz NCPDIJVKFYLCGD-RNJOBUHISA-N 2 0 294.399 -0.417 20 0 CBADRP CCO[C@H](CNC(=O)NCC(C)(C)[NH3+])C[NH+](C)C ZINC001353417125 891422331 /nfs/dbraw/zinc/42/23/31/891422331.db2.gz VPYMGSKOLNQZCJ-SNVBAGLBSA-N 2 0 260.382 -0.010 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001353431342 891425518 /nfs/dbraw/zinc/42/55/18/891425518.db2.gz BSKJXPJMFPDJHR-LBPRGKRZSA-N 2 0 284.404 -0.358 20 0 CBADRP C[NH2+]CCOCCNC(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001353443409 891428878 /nfs/dbraw/zinc/42/88/78/891428878.db2.gz UYZHWRLUIQEFAC-MNOVXSKESA-N 2 0 258.366 -0.623 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)CNCC[NH3+])C[C@@H](C)O1 ZINC001353468956 891430087 /nfs/dbraw/zinc/43/00/87/891430087.db2.gz JPGAORUJDBVBQM-VXGBXAGGSA-N 2 0 272.393 -0.850 20 0 CBADRP C[C@H]1C[NH+](CCCNC(=O)[C@@H]([NH3+])C(C)(C)O)C[C@H](C)O1 ZINC001353469587 891430851 /nfs/dbraw/zinc/43/08/51/891430851.db2.gz RZSUDKUXUUZTMO-SDDRHHMPSA-N 2 0 287.404 -0.300 20 0 CBADRP CCO[C@H](CNC(=O)NC(C)(C)C[NH3+])C[NH+](C)C ZINC001353468758 891431602 /nfs/dbraw/zinc/43/16/02/891431602.db2.gz YVJDCUCSMOTEEN-SNVBAGLBSA-N 2 0 260.382 -0.010 20 0 CBADRP [NH3+]CC1(C(=O)NCCC[NH+]2CCC(O)CC2)CC(O)C1 ZINC001353482399 891434192 /nfs/dbraw/zinc/43/41/92/891434192.db2.gz KYWRMLHIWQBZCI-UHFFFAOYSA-N 2 0 285.388 -0.951 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1C[NH2+]CCN1C)C(C)C ZINC001353527496 891440647 /nfs/dbraw/zinc/44/06/47/891440647.db2.gz VPPIJYAZQJAMNR-LBPRGKRZSA-N 2 0 256.394 -0.264 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC001353535925 891443480 /nfs/dbraw/zinc/44/34/80/891443480.db2.gz WUGPBKDPUIBFTL-SCVCMEIPSA-N 2 0 257.378 -0.198 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC001353571410 891446663 /nfs/dbraw/zinc/44/66/63/891446663.db2.gz PLZGVVWPZOLYJQ-DGCLKSJQSA-N 2 0 268.405 -0.277 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001353591565 891451014 /nfs/dbraw/zinc/45/10/14/891451014.db2.gz PAYJCNAGIOQYKU-IJLUTSLNSA-N 2 0 254.378 -0.667 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001353602741 891453162 /nfs/dbraw/zinc/45/31/62/891453162.db2.gz SKNSTAMRQWLDTB-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC001353647113 891455536 /nfs/dbraw/zinc/45/55/36/891455536.db2.gz ZTZFVKNEZQFPGC-YPMHNXCESA-N 2 0 263.341 -0.301 20 0 CBADRP C[NH2+]C1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCC1 ZINC001353647098 891456871 /nfs/dbraw/zinc/45/68/71/891456871.db2.gz ZNMWREIXXTWDOC-GFCCVEGCSA-N 2 0 266.389 -0.365 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001353655542 891456933 /nfs/dbraw/zinc/45/69/33/891456933.db2.gz QJTVSHGDUORZDL-FRRDWIJNSA-N 2 0 269.389 -0.066 20 0 CBADRP N[C@@H](C[NH2+]CCCN1CC[NH2+]CC1)CC(F)F ZINC001353943030 891491467 /nfs/dbraw/zinc/49/14/67/891491467.db2.gz LCYQUXHIVWVLDY-SNVBAGLBSA-N 2 0 250.337 -0.146 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001449317508 913568788 /nfs/dbraw/zinc/56/87/88/913568788.db2.gz ISHWFCYXLBVJMD-LLVKDONJSA-N 2 0 286.420 -0.195 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCC[NH2+]C1CC1 ZINC001354131681 891519318 /nfs/dbraw/zinc/51/93/18/891519318.db2.gz MMGBQYFZFICIJR-WCQYABFASA-N 2 0 266.389 -0.367 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CCC3(C[NH2+]C3)CC2)C1=O ZINC001354190277 891528838 /nfs/dbraw/zinc/52/88/38/891528838.db2.gz FUUPMPBBRDKWJB-LBPRGKRZSA-N 2 0 294.399 -0.604 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC001354296745 891556696 /nfs/dbraw/zinc/55/66/96/891556696.db2.gz GPHYTCLGROYBNK-RHYQMDGZSA-N 2 0 257.378 -0.211 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]([NH3+])Cc1ccccn1 ZINC001354283933 891556510 /nfs/dbraw/zinc/55/65/10/891556510.db2.gz HOKFYAGAKXAGBP-KSGYAGIASA-N 2 0 260.341 -0.099 20 0 CBADRP [NH3+][C@H](Cc1ccccn1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC001354317995 891563397 /nfs/dbraw/zinc/56/33/97/891563397.db2.gz BJGYLWAFMZKMLB-KSGYAGIASA-N 2 0 260.341 -0.180 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001354331229 891566139 /nfs/dbraw/zinc/56/61/39/891566139.db2.gz WLCOTPADKUZRGY-BXKDBHETSA-N 2 0 254.334 -0.391 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC001354328709 891566306 /nfs/dbraw/zinc/56/63/06/891566306.db2.gz AGUIEKJOXPVCIJ-IWSPIJDZSA-N 2 0 261.297 -0.835 20 0 CBADRP O=C([C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCOC2(C[NH2+]C2)C1 ZINC001354358792 891570452 /nfs/dbraw/zinc/57/04/52/891570452.db2.gz OXELBWLGPDYLIR-HBNTYKKESA-N 2 0 251.330 -0.672 20 0 CBADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001354436202 891580808 /nfs/dbraw/zinc/58/08/08/891580808.db2.gz KXELYJZSTMZSCR-KKOKHZNYSA-N 2 0 253.346 -0.690 20 0 CBADRP [NH3+]C1(CC(=O)N2CCC[C@H]([NH2+]CCO)C2)CCC1 ZINC001354435792 891581560 /nfs/dbraw/zinc/58/15/60/891581560.db2.gz HVLBRMGIPIELHU-NSHDSACASA-N 2 0 255.362 -0.169 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccn(CCC[NH3+])n1 ZINC001354487599 891587050 /nfs/dbraw/zinc/58/70/50/891587050.db2.gz NQKPYEWPZWMMFM-NXEZZACHSA-N 2 0 251.334 -0.206 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)c1ccn(CCC[NH3+])n1 ZINC001354487600 891587110 /nfs/dbraw/zinc/58/71/10/891587110.db2.gz NQKPYEWPZWMMFM-UWVGGRQHSA-N 2 0 251.334 -0.206 20 0 CBADRP C[NH2+]CCOc1cccc(C(=O)N2CC[NH2+]C[C@H]2CO)c1 ZINC001354594324 891600193 /nfs/dbraw/zinc/60/01/93/891600193.db2.gz REEJCZQATLTPBC-ZDUSSCGKSA-N 2 0 293.367 -0.309 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC001354771400 891615411 /nfs/dbraw/zinc/61/54/11/891615411.db2.gz VYLNSCMFOFTJJV-NSHDSACASA-N 2 0 254.378 -0.475 20 0 CBADRP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC([NH2+]CC(N)=O)C1 ZINC001449388180 913576188 /nfs/dbraw/zinc/57/61/88/913576188.db2.gz SCENZZJNZJQBHJ-OTTFEQOBSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[NH2+]CC(=O)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001354894327 891628437 /nfs/dbraw/zinc/62/84/37/891628437.db2.gz UYHOLKZZUWKZJW-CYBMUJFWSA-N 2 0 263.345 -0.408 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001449382251 913577350 /nfs/dbraw/zinc/57/73/50/913577350.db2.gz CGIICCQOOWEMDN-UNXYVOJBSA-N 2 0 284.404 -0.348 20 0 CBADRP CCO[C@@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C[NH+](C)C ZINC001354943434 891631019 /nfs/dbraw/zinc/63/10/19/891631019.db2.gz JXLCWEJQHKMHCQ-NNYUYHANSA-N 2 0 255.362 -0.465 20 0 CBADRP O=C(NCCCCCN1CC[NH2+]CC1)[C@@]1(F)CC[NH2+]C1 ZINC001354977110 891633864 /nfs/dbraw/zinc/63/38/64/891633864.db2.gz ANFSDSGVLNTRLV-CQSZACIVSA-N 2 0 286.395 -0.120 20 0 CBADRP CC[NH2+]CC(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001355003639 891636141 /nfs/dbraw/zinc/63/61/41/891636141.db2.gz JKZIKRAVRLLYPX-LLVKDONJSA-N 2 0 255.362 -0.048 20 0 CBADRP CN(C(=O)CC[NH+](C)C)C1CC([NH2+][C@@H]2CCCNC2=O)C1 ZINC001449388546 913578138 /nfs/dbraw/zinc/57/81/38/913578138.db2.gz YIUQCPPMYSTPKX-WXRRBKDZSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@H](C(=O)N(C)C1CC([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001449397719 913578223 /nfs/dbraw/zinc/57/82/23/913578223.db2.gz DLNSJIULNORPPQ-WXRRBKDZSA-N 2 0 298.431 -0.006 20 0 CBADRP CN(C(=O)COC1CC[NH+](C)CC1)C1CC([NH2+]CCO)C1 ZINC001449396149 913578292 /nfs/dbraw/zinc/57/82/92/913578292.db2.gz HEDLQXNLZNEKMA-UHFFFAOYSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@H]1CN(C(=O)CN2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC001355052647 891639459 /nfs/dbraw/zinc/63/94/59/891639459.db2.gz ASDATOOMVCYXLT-RYUDHWBXSA-N 2 0 254.378 -0.665 20 0 CBADRP C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC001355052648 891639685 /nfs/dbraw/zinc/63/96/85/891639685.db2.gz ASDATOOMVCYXLT-VXGBXAGGSA-N 2 0 254.378 -0.665 20 0 CBADRP [NH3+][C@H](CO)Cc1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC001355402592 891673946 /nfs/dbraw/zinc/67/39/46/891673946.db2.gz OCQMZJKTSPIEGV-QWRGUYRKSA-N 2 0 253.350 -0.470 20 0 CBADRP C[NH2+]C1CC(C(=O)N2CCN(C)CC[N@H+](C)CC2)C1 ZINC001355442335 891680021 /nfs/dbraw/zinc/68/00/21/891680021.db2.gz SBWKZGJOQGNZGK-UHFFFAOYSA-N 2 0 268.405 -0.310 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC001355559442 891690755 /nfs/dbraw/zinc/69/07/55/891690755.db2.gz PJCSGXBWYYAKDE-MBNYWOFBSA-N 2 0 267.373 -0.177 20 0 CBADRP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C[C@@H]1C[NH2+]CCO1 ZINC001355598850 891695230 /nfs/dbraw/zinc/69/52/30/891695230.db2.gz IVZAGUFKMVLBNX-DMDPSCGWSA-N 2 0 253.346 -0.295 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC001355652300 891697811 /nfs/dbraw/zinc/69/78/11/891697811.db2.gz RDDJJYGGCHUJQA-GARJFASQSA-N 2 0 259.325 -0.619 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001355817794 891706910 /nfs/dbraw/zinc/70/69/10/891706910.db2.gz DPTQFSSPHISFAH-NWDGAFQWSA-N 2 0 256.394 -0.134 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001356498745 891774077 /nfs/dbraw/zinc/77/40/77/891774077.db2.gz HNEVTWLHQZJVJJ-GHMZBOCLSA-N 2 0 270.377 -0.845 20 0 CBADRP CC[NH+]1CCN(CCC[NH2+]CCC(=O)NC(N)=O)CC1 ZINC001356533381 891776066 /nfs/dbraw/zinc/77/60/66/891776066.db2.gz DBHRVZUCVZCBNO-UHFFFAOYSA-N 2 0 285.392 -0.811 20 0 CBADRP C[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)N(C)C ZINC001356569208 891781513 /nfs/dbraw/zinc/78/15/13/891781513.db2.gz DAWMPJFTTQBEHZ-OLZOCXBDSA-N 2 0 258.410 -0.866 20 0 CBADRP C[C@@H](NC(=O)NCC1([NH3+])CC1)[C@@H]1CN(C)CCO1 ZINC001357262882 891866123 /nfs/dbraw/zinc/86/61/23/891866123.db2.gz WPRLRQLXVZINRM-ZJUUUORDSA-N 2 0 256.350 -0.504 20 0 CBADRP C[NH+](C)CCCNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001357325677 891871450 /nfs/dbraw/zinc/87/14/50/891871450.db2.gz APLDFBKSFGSAPH-UHFFFAOYSA-N 2 0 268.361 -0.047 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001357362304 891875169 /nfs/dbraw/zinc/87/51/69/891875169.db2.gz QBYRENAOOBLAKN-CYDGBPFRSA-N 2 0 269.389 -0.054 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)C1CC1 ZINC001357367866 891875710 /nfs/dbraw/zinc/87/57/10/891875710.db2.gz MPFFDMNCDSFTPU-QWHCGFSZSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]1C[NH+](CCCCNC(=O)C[C@@H](O)C[NH3+])C[C@@H](C)O1 ZINC001357366147 891876203 /nfs/dbraw/zinc/87/62/03/891876203.db2.gz FFBYBGGFIIMTOU-JHJVBQTASA-N 2 0 287.404 -0.298 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@@H](O)C[NH2+]1 ZINC001357369007 891877915 /nfs/dbraw/zinc/87/79/15/891877915.db2.gz TUNKCQMBLPUZTD-HKUMRIAESA-N 2 0 267.373 -0.158 20 0 CBADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)[C@H]([NH3+])CO ZINC001357375772 891878949 /nfs/dbraw/zinc/87/89/49/891878949.db2.gz KOSBBUIQAZMRDV-WISYIIOYSA-N 2 0 257.378 -0.211 20 0 CBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]([NH3+])CO ZINC001357375770 891879998 /nfs/dbraw/zinc/87/99/98/891879998.db2.gz KOSBBUIQAZMRDV-WHOHXGKFSA-N 2 0 257.378 -0.211 20 0 CBADRP COc1cc[nH+]c(N2CCN(C(=O)CNCC[NH3+])CC2)c1 ZINC001357396280 891886920 /nfs/dbraw/zinc/88/69/20/891886920.db2.gz ILSCKKZYMZLIPQ-UHFFFAOYSA-N 2 0 293.371 -0.713 20 0 CBADRP C[NH2+]CCCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001357433894 891892955 /nfs/dbraw/zinc/89/29/55/891892955.db2.gz HUVPIDHTSIXCSE-STQMWFEESA-N 2 0 284.404 -0.164 20 0 CBADRP C[N@@H+]1CCCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001357453243 891893457 /nfs/dbraw/zinc/89/34/57/891893457.db2.gz MEMAOFGXJJINEK-GFCCVEGCSA-N 2 0 282.388 -0.652 20 0 CBADRP C[NH2+]CCCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001357433891 891894220 /nfs/dbraw/zinc/89/42/20/891894220.db2.gz HUVPIDHTSIXCSE-CHWSQXEVSA-N 2 0 284.404 -0.164 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC001357465141 891896802 /nfs/dbraw/zinc/89/68/02/891896802.db2.gz WOYRPCDSYPOLNP-GFCCVEGCSA-N 2 0 266.389 -0.413 20 0 CBADRP CC1(NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[NH2+]CC1 ZINC001357457145 891898161 /nfs/dbraw/zinc/89/81/61/891898161.db2.gz FBWZJKUWPUXQPF-LLVKDONJSA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@@H](CCC[NH3+])NC(=O)N1CCNCC[NH2+]CC1 ZINC001357485714 891904703 /nfs/dbraw/zinc/90/47/03/891904703.db2.gz ZXAKDDSZHKKGJH-NSHDSACASA-N 2 0 257.382 -0.682 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC001357474927 891904873 /nfs/dbraw/zinc/90/48/73/891904873.db2.gz SDFHRLUKHSYDLZ-RYUDHWBXSA-N 2 0 254.378 -0.462 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC001357514726 891906418 /nfs/dbraw/zinc/90/64/18/891906418.db2.gz IVHRTPVJJSNXNT-WDEREUQCSA-N 2 0 256.350 -0.645 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC001357514724 891906929 /nfs/dbraw/zinc/90/69/29/891906929.db2.gz IVHRTPVJJSNXNT-MNOVXSKESA-N 2 0 256.350 -0.645 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC001357514723 891907381 /nfs/dbraw/zinc/90/73/81/891907381.db2.gz IVHRTPVJJSNXNT-GHMZBOCLSA-N 2 0 256.350 -0.645 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)CC1 ZINC001357631533 891922749 /nfs/dbraw/zinc/92/27/49/891922749.db2.gz KEMAOYUOVMWITP-GWCFXTLKSA-N 2 0 253.346 -0.702 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCCON ZINC001357688651 891931333 /nfs/dbraw/zinc/93/13/33/891931333.db2.gz WFUUWTNVDIKOOM-UHFFFAOYSA-N 2 0 275.397 -0.598 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)C12CC[NH+](CC1)C2 ZINC001357741070 891933240 /nfs/dbraw/zinc/93/32/40/891933240.db2.gz IWSUQPUGDRVBOO-JTQLQIEISA-N 2 0 251.330 -0.671 20 0 CBADRP [NH3+]C[C@@H](C(=O)NCC1(O)C[NH2+]C1)c1ccc(F)cc1 ZINC001357821118 891936091 /nfs/dbraw/zinc/93/60/91/891936091.db2.gz RFCIQDCYCQTWDW-LLVKDONJSA-N 2 0 267.304 -0.682 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001357844145 891939822 /nfs/dbraw/zinc/93/98/22/891939822.db2.gz PWIMCOPQTKECAD-MNOVXSKESA-N 2 0 269.345 -0.998 20 0 CBADRP [NH3+][C@@H](C(=O)N[C@@H]1COC2(C[NH2+]C2)C1)c1ccccc1 ZINC001357843229 891941591 /nfs/dbraw/zinc/94/15/91/891941591.db2.gz IXWRLLCDYKFROV-NWDGAFQWSA-N 2 0 261.325 -0.067 20 0 CBADRP COc1cccc([C@@H]([NH3+])C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC001357891316 891943184 /nfs/dbraw/zinc/94/31/84/891943184.db2.gz ZQDKDNGFECEHFB-GRYCIOLGSA-N 2 0 265.313 -0.856 20 0 CBADRP [NH3+]CC1(C(=O)N2CCCCC[C@@H]([NH3+])C2)CC(O)C1 ZINC001357966481 891951082 /nfs/dbraw/zinc/95/10/82/891951082.db2.gz HLZPHHNBIJFFPK-XSRFYTQQSA-N 2 0 255.362 -0.184 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[NH2+]CCC12CCC2 ZINC001357967647 891953050 /nfs/dbraw/zinc/95/30/50/891953050.db2.gz ZIYCFDFOEVFURU-NWDGAFQWSA-N 2 0 269.389 -0.195 20 0 CBADRP [NH3+]CCCSCCC(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001357979612 891955227 /nfs/dbraw/zinc/95/52/27/891955227.db2.gz BQVXLOZOTHUJDG-GFCCVEGCSA-N 2 0 286.401 -0.546 20 0 CBADRP O=C(c1cccc2c1C[NH2+]C2)N1CC[NH2+]C[C@@H]1CO ZINC001358030025 891961048 /nfs/dbraw/zinc/96/10/48/891961048.db2.gz VCWCRIUJRPMZGJ-LLVKDONJSA-N 2 0 261.325 -0.304 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001358070637 891968818 /nfs/dbraw/zinc/96/88/18/891968818.db2.gz WUVUKVUNJNRILX-VOAKCMCISA-N 2 0 266.389 -0.654 20 0 CBADRP CC1(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C[NH2+]C1 ZINC001358078926 891969293 /nfs/dbraw/zinc/96/92/93/891969293.db2.gz CMWYEMJZJVISLZ-LLVKDONJSA-N 2 0 267.373 -0.129 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001358129796 891974262 /nfs/dbraw/zinc/97/42/62/891974262.db2.gz FTNHDVFOFJKEMG-LBPRGKRZSA-N 2 0 255.362 -0.360 20 0 CBADRP C[C@@H]1[C@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC001358187266 891978166 /nfs/dbraw/zinc/97/81/66/891978166.db2.gz VXBNCOSVLIAKCP-IJLUTSLNSA-N 2 0 255.362 -0.036 20 0 CBADRP [NH3+][C@@H](CC1CC1)C(=O)N1NC(=O)CC12CC[NH2+]CC2 ZINC001358182754 891979126 /nfs/dbraw/zinc/97/91/26/891979126.db2.gz CDGVNHWZFAPGLZ-JTQLQIEISA-N 2 0 266.345 -0.501 20 0 CBADRP C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001358239042 891981683 /nfs/dbraw/zinc/98/16/83/891981683.db2.gz WCMXJFWCGRNVJF-GXFFZTMASA-N 2 0 266.345 -0.100 20 0 CBADRP [NH3+]CCCSCCC(=O)N1CCNCC[NH2+]CC1 ZINC001358224797 891983082 /nfs/dbraw/zinc/98/30/82/891983082.db2.gz UVJFDTUVZNIRCF-UHFFFAOYSA-N 2 0 274.434 -0.520 20 0 CBADRP [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)C1([NH3+])CC1)CC2 ZINC001358224515 891983414 /nfs/dbraw/zinc/98/34/14/891983414.db2.gz RBBVIECBAGQDGJ-JTQLQIEISA-N 2 0 253.346 -0.166 20 0 CBADRP [NH3+]CCNCC(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC001358332862 891992903 /nfs/dbraw/zinc/99/29/03/891992903.db2.gz OKRLURWIZHZYNJ-OTVXOJSOSA-N 2 0 276.384 -0.290 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)=NO1 ZINC001358317864 891993776 /nfs/dbraw/zinc/99/37/76/891993776.db2.gz MCAJKHUQNOJMRO-MFKMUULPSA-N 2 0 266.345 -0.165 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC001358393753 891999334 /nfs/dbraw/zinc/99/93/34/891999334.db2.gz KIWGMSMXMUBLQN-AAEUAGOBSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]C1(CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC001358375668 892002081 /nfs/dbraw/zinc/00/20/81/892002081.db2.gz HGLBQCZTORMKLL-SECBINFHSA-N 2 0 264.333 -0.576 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)CC[NH+](C)C ZINC001450088793 913643244 /nfs/dbraw/zinc/64/32/44/913643244.db2.gz SFXCMLINHSXDPR-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC1CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001450384653 913688287 /nfs/dbraw/zinc/68/82/87/913688287.db2.gz WKPMBANJPHCWAG-GFCCVEGCSA-N 2 0 296.415 -0.395 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001450475383 913699382 /nfs/dbraw/zinc/69/93/82/913699382.db2.gz BPVLIJBQKNMEEQ-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001362620504 892853770 /nfs/dbraw/zinc/85/37/70/892853770.db2.gz PXYCKJOYYCXDBV-IHRRRGAJSA-N 2 0 297.374 -0.038 20 0 CBADRP O=C(CC[N@@H+]1CC[C@@H](F)C1)N[C@H](CO)C[NH+]1CCCC1 ZINC001362963579 893210451 /nfs/dbraw/zinc/21/04/51/893210451.db2.gz UGIQTGSBLPGUAN-OLZOCXBDSA-N 2 0 287.379 -0.007 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001363008387 893255469 /nfs/dbraw/zinc/25/54/69/893255469.db2.gz ALMIFQDVWHNYBN-LBPRGKRZSA-N 2 0 275.368 -0.149 20 0 CBADRP C[N@H+](CCO)CCNC(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001363123317 893381935 /nfs/dbraw/zinc/38/19/35/893381935.db2.gz HOHOKGDBMKPVRJ-CYBMUJFWSA-N 2 0 292.383 -0.052 20 0 CBADRP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC001363127812 893386159 /nfs/dbraw/zinc/38/61/59/893386159.db2.gz PEQHSXMJDMFGOL-ZIAGYGMSSA-N 2 0 280.416 -0.071 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C[NH+](C)C ZINC001363147867 893407354 /nfs/dbraw/zinc/40/73/54/893407354.db2.gz MTDAERBULNRXRU-VXGBXAGGSA-N 2 0 294.403 -0.455 20 0 CBADRP CO[C@@H]1COC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC001363250630 893495179 /nfs/dbraw/zinc/49/51/79/893495179.db2.gz WGPOOQKKDCQGHU-UONOGXRCSA-N 2 0 299.415 -0.021 20 0 CBADRP C[C@H](CC(N)=O)[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC001363409183 893655605 /nfs/dbraw/zinc/65/56/05/893655605.db2.gz DKBUTIPQEHOLFE-LLVKDONJSA-N 2 0 292.387 -0.418 20 0 CBADRP Cn1cncc1CCC(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001363686778 893913694 /nfs/dbraw/zinc/91/36/94/893913694.db2.gz YEMAWRYCIGQVOA-LLVKDONJSA-N 2 0 278.356 -0.058 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H]3CNC(=O)C3)CC2)C1 ZINC001363790482 893996166 /nfs/dbraw/zinc/99/61/66/893996166.db2.gz DBIYYHTWXMWISA-UONOGXRCSA-N 2 0 280.416 -0.166 20 0 CBADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001363870767 894069770 /nfs/dbraw/zinc/06/97/70/894069770.db2.gz PQLGQTQSRRHBCR-UHFFFAOYSA-N 2 0 282.392 -0.027 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)C(C)(C)O)CC2)C1 ZINC001364361402 894360976 /nfs/dbraw/zinc/36/09/76/894360976.db2.gz ZKSMWKYWJSJCBF-ZIAGYGMSSA-N 2 0 285.432 -0.170 20 0 CBADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](O)[C@@H](CO)C2)CC1 ZINC001364418075 894404272 /nfs/dbraw/zinc/40/42/72/894404272.db2.gz OOEVLTFWROZEQD-CABCVRRESA-N 2 0 285.432 -0.313 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNS(=O)(=O)N1CCN(C)CC1 ZINC001364767035 894606221 /nfs/dbraw/zinc/60/62/21/894606221.db2.gz LOHBGQOXCNJVCY-LBPRGKRZSA-N 2 0 292.449 -0.202 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1C[NH+](C)CC1(C)C ZINC001364955799 894698666 /nfs/dbraw/zinc/69/86/66/894698666.db2.gz RNPKQVBLSPCKGQ-JHJVBQTASA-N 2 0 280.416 -0.169 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1C[NH+](C)CC1(C)C ZINC001364955804 894700296 /nfs/dbraw/zinc/70/02/96/894700296.db2.gz RNPKQVBLSPCKGQ-UPJWGTAASA-N 2 0 280.416 -0.169 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001365813000 895124506 /nfs/dbraw/zinc/12/45/06/895124506.db2.gz KVORFJCNBZOZLK-SDDRHHMPSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC001365811588 895126583 /nfs/dbraw/zinc/12/65/83/895126583.db2.gz ITPHIHPJOXGWTJ-SDDRHHMPSA-N 2 0 296.415 -0.171 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001365850413 895132018 /nfs/dbraw/zinc/13/20/18/895132018.db2.gz XYBCTLYTAVXSKJ-FIQHERPVSA-N 2 0 284.404 -0.315 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001365891999 895137441 /nfs/dbraw/zinc/13/74/41/895137441.db2.gz HRFZWLFDHCBLQW-YIYPIFLZSA-N 2 0 299.415 -0.333 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001365971841 895155946 /nfs/dbraw/zinc/15/59/46/895155946.db2.gz CFOTZFPDGDFSBI-NWDGAFQWSA-N 2 0 273.377 -0.864 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001366046966 895178525 /nfs/dbraw/zinc/17/85/25/895178525.db2.gz QPPKNKWMERQBHE-OLZOCXBDSA-N 2 0 296.415 -0.170 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001366046975 895178886 /nfs/dbraw/zinc/17/88/86/895178886.db2.gz QPPKNKWMERQBHE-STQMWFEESA-N 2 0 296.415 -0.170 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001366098779 895191662 /nfs/dbraw/zinc/19/16/62/895191662.db2.gz PEAARSURVLCKSQ-KBPBESRZSA-N 2 0 299.415 -0.474 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001366102963 895191918 /nfs/dbraw/zinc/19/19/18/895191918.db2.gz NUPFXKQAWMORLG-NEPJUHHUSA-N 2 0 282.388 -0.783 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001366105124 895192257 /nfs/dbraw/zinc/19/22/57/895192257.db2.gz RBKBODHWWSATFX-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001366114054 895197615 /nfs/dbraw/zinc/19/76/15/895197615.db2.gz ACARQWULGIABFD-JHJVBQTASA-N 2 0 296.415 -0.156 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001366128341 895200712 /nfs/dbraw/zinc/20/07/12/895200712.db2.gz UHANCAGGYSLMJB-XUXIUFHCSA-N 2 0 299.415 -0.285 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001366131070 895201169 /nfs/dbraw/zinc/20/11/69/895201169.db2.gz GCRDZPKAOJQRLE-XDQVBPFNSA-N 2 0 299.415 -0.428 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1)[NH+](C)C ZINC001366127346 895201629 /nfs/dbraw/zinc/20/16/29/895201629.db2.gz QYPHDKYKCCYZPF-AVGNSLFASA-N 2 0 296.415 -0.158 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC001366146397 895205369 /nfs/dbraw/zinc/20/53/69/895205369.db2.gz AQHPDSQLPHIACG-LOWVWBTDSA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)C(=O)N(C)C ZINC001366156001 895209566 /nfs/dbraw/zinc/20/95/66/895209566.db2.gz QZHBFAAIMDNIOB-FVCCEPFGSA-N 2 0 296.415 -0.206 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001366157958 895209603 /nfs/dbraw/zinc/20/96/03/895209603.db2.gz DQTXIFMSVUHXCP-MQYQWHSLSA-N 2 0 299.415 -0.428 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)[NH+](C)C ZINC001366158972 895209742 /nfs/dbraw/zinc/20/97/42/895209742.db2.gz IUWPDNNZDAOQGM-XQHKEYJVSA-N 2 0 296.415 -0.158 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001366157957 895210178 /nfs/dbraw/zinc/21/01/78/895210178.db2.gz DQTXIFMSVUHXCP-FQUUOJAGSA-N 2 0 299.415 -0.428 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC001366169247 895211855 /nfs/dbraw/zinc/21/18/55/895211855.db2.gz IHJMOCHVVNWFLM-TXEJJXNPSA-N 2 0 294.403 -0.106 20 0 CBADRP NC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001366214833 895222375 /nfs/dbraw/zinc/22/23/75/895222375.db2.gz AFPNBPLOJUAJOJ-LBPRGKRZSA-N 2 0 294.399 -0.462 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001366259925 895240424 /nfs/dbraw/zinc/24/04/24/895240424.db2.gz BHOGALJMQLDUFB-NEPJUHHUSA-N 2 0 284.404 -0.301 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001366320311 895276049 /nfs/dbraw/zinc/27/60/49/895276049.db2.gz BMCBMLSGVUYRLX-QWRGUYRKSA-N 2 0 272.393 -0.443 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CCC[NH+](C)C ZINC001366320308 895277672 /nfs/dbraw/zinc/27/76/72/895277672.db2.gz BMCBMLSGVUYRLX-GHMZBOCLSA-N 2 0 272.393 -0.443 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC1CC1)[NH+](C)C ZINC001366349100 895289199 /nfs/dbraw/zinc/28/91/99/895289199.db2.gz VAVJJRJXQQYAGG-BXUZGUMPSA-N 2 0 298.431 -0.055 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001366348292 895289225 /nfs/dbraw/zinc/28/92/25/895289225.db2.gz SXLPHFPCBIMLKH-GHMZBOCLSA-N 2 0 270.377 -0.832 20 0 CBADRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+][C@H](C)C(N)=O ZINC001366364356 895295422 /nfs/dbraw/zinc/29/54/22/895295422.db2.gz NXRWKRFNVGGVBS-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001366380776 895301659 /nfs/dbraw/zinc/30/16/59/895301659.db2.gz HRMLDZSJYQDNSX-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC)C1 ZINC001366388242 895307295 /nfs/dbraw/zinc/30/72/95/895307295.db2.gz ABFFWKQNXKFANK-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C1)C(N)=O ZINC001366394529 895309806 /nfs/dbraw/zinc/30/98/06/895309806.db2.gz VOTSNEPXYFEPHN-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP Cn1nncc1C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001366401468 895312921 /nfs/dbraw/zinc/31/29/21/895312921.db2.gz MJHRVRBEMBBEMV-GFCCVEGCSA-N 2 0 294.403 -0.295 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001366400443 895313288 /nfs/dbraw/zinc/31/32/88/895313288.db2.gz JXDUICOXDYCPER-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001366405092 895313951 /nfs/dbraw/zinc/31/39/51/895313951.db2.gz UAASTWYZUHPSJN-VXGBXAGGSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@H](C)C(N)=O ZINC001366471154 895327073 /nfs/dbraw/zinc/32/70/73/895327073.db2.gz ISNSDGJCXBLDJQ-GHMZBOCLSA-N 2 0 284.404 -0.171 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001366471274 895327900 /nfs/dbraw/zinc/32/79/00/895327900.db2.gz HERBWNLZRAVULX-YNEHKIRRSA-N 2 0 287.404 -0.428 20 0 CBADRP CN(CCNC(=O)C[N@H+](C)C1CCC1)CC(=O)N(C)C ZINC001366535060 895360374 /nfs/dbraw/zinc/36/03/74/895360374.db2.gz DQPKAVBAURTOQI-UHFFFAOYSA-N 2 0 284.404 -0.393 20 0 CBADRP CCN(C)C(=O)CN(C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001366536849 895360918 /nfs/dbraw/zinc/36/09/18/895360918.db2.gz LYFZBQKYZULJBI-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CNC(=O)CN1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001366651718 895421546 /nfs/dbraw/zinc/42/15/46/895421546.db2.gz NCBSPJILEILXII-OCCSQVGLSA-N 2 0 298.431 -0.101 20 0 CBADRP C[N@H+](CC(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1)CC(C)(C)C ZINC001366698886 895436291 /nfs/dbraw/zinc/43/62/91/895436291.db2.gz NMUYTSRVBATQOA-LBPRGKRZSA-N 2 0 298.431 -0.112 20 0 CBADRP CCN1CC[C@H]([NH2+]CCN(C)C(=O)CCC[NH+](C)C)C1=O ZINC001366770900 895456416 /nfs/dbraw/zinc/45/64/16/895456416.db2.gz BCLPMYRBYDCSNK-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCN(C)C(=O)CCC[NH+](C)C)C1=O ZINC001366770897 895457621 /nfs/dbraw/zinc/45/76/21/895457621.db2.gz BCLPMYRBYDCSNK-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)CCC[NH+](C)C ZINC001366775346 895458611 /nfs/dbraw/zinc/45/86/11/895458611.db2.gz MKEYICMRGTYUOI-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001366873179 895472316 /nfs/dbraw/zinc/47/23/16/895472316.db2.gz QXBHTIRLGSPZLE-STQMWFEESA-N 2 0 296.415 -0.536 20 0 CBADRP COCC[NH+]1CC(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001366991224 895515704 /nfs/dbraw/zinc/51/57/04/895515704.db2.gz UQEIXDWVSQIYAQ-CYBMUJFWSA-N 2 0 299.415 -0.351 20 0 CBADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001367138208 895576259 /nfs/dbraw/zinc/57/62/59/895576259.db2.gz HOLXQXUWVTUAPP-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CCC(=O)NC1(C[NH2+]CC(N)=O)CCCC1 ZINC001367157927 895578097 /nfs/dbraw/zinc/57/80/97/895578097.db2.gz PWLPMTCMDACYNK-UHFFFAOYSA-N 2 0 270.377 -0.558 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001367199732 895582246 /nfs/dbraw/zinc/58/22/46/895582246.db2.gz FLJGDALUGJMIGT-HAQNSBGRSA-N 2 0 284.404 -0.299 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001367221869 895586377 /nfs/dbraw/zinc/58/63/77/895586377.db2.gz ITTXATNXZLSSHM-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CC(=O)NC1CC1 ZINC001367230891 895589369 /nfs/dbraw/zinc/58/93/69/895589369.db2.gz CUKGUVUMLHHEDN-WCQYABFASA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)NC1CC1 ZINC001367281270 895601433 /nfs/dbraw/zinc/60/14/33/895601433.db2.gz AYORWSIKBKVYGR-RYUDHWBXSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)NC1CC1 ZINC001367281251 895602682 /nfs/dbraw/zinc/60/26/82/895602682.db2.gz AYORWSIKBKVYGR-NEPJUHHUSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+][C@H]1CCCNC1=O ZINC001367298316 895609689 /nfs/dbraw/zinc/60/96/89/895609689.db2.gz XNTIFNGBIOQXSL-STQMWFEESA-N 2 0 296.415 -0.297 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H](C)C1 ZINC001367451816 895638662 /nfs/dbraw/zinc/63/86/62/895638662.db2.gz VIDCVEJIQDESLY-NEPJUHHUSA-N 2 0 284.404 -0.362 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@@H](O)C[NH2+]C[C@H]2CCOC2)CCC1 ZINC001367592012 895688265 /nfs/dbraw/zinc/68/82/65/895688265.db2.gz GDGZHZPCQLEKPV-OLZOCXBDSA-N 2 0 299.415 -0.426 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cncn1C)[NH+](C)C ZINC001367595068 895690070 /nfs/dbraw/zinc/69/00/70/895690070.db2.gz UBIAOFZEEQWJJJ-QWHCGFSZSA-N 2 0 297.403 -0.673 20 0 CBADRP CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001367653866 895726169 /nfs/dbraw/zinc/72/61/69/895726169.db2.gz BXWIOLHZFAPSIR-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C)CC[N@@H+]1C ZINC001367671015 895736652 /nfs/dbraw/zinc/73/66/52/895736652.db2.gz QDYVIWHHBNMFJH-FRRDWIJNSA-N 2 0 298.431 -0.101 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001367681716 895744754 /nfs/dbraw/zinc/74/47/54/895744754.db2.gz ABBWEILYTCQVNX-NEPJUHHUSA-N 2 0 286.420 -0.116 20 0 CBADRP CC[C@@H](C(=O)N(CC)CC[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001367690670 895751705 /nfs/dbraw/zinc/75/17/05/895751705.db2.gz OARSQYZLSLJALT-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001367756221 895792580 /nfs/dbraw/zinc/79/25/80/895792580.db2.gz CIQBLDZJQOSRDR-QWRGUYRKSA-N 2 0 272.393 -0.443 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1)C(=O)N(C)C ZINC001367993909 895881237 /nfs/dbraw/zinc/88/12/37/895881237.db2.gz XETPRPIJVQPCGW-NWDGAFQWSA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001368002638 895888632 /nfs/dbraw/zinc/88/86/32/895888632.db2.gz KVLNMZMFHYSJHF-NSHDSACASA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001368110151 895914472 /nfs/dbraw/zinc/91/44/72/895914472.db2.gz WDIKCVHWEDKSOK-TZMCWYRMSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001368108184 895915042 /nfs/dbraw/zinc/91/50/42/895915042.db2.gz ZOOKFUYWKDVIIG-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001368198583 895933089 /nfs/dbraw/zinc/93/30/89/895933089.db2.gz XFTKGUZBTFRDFY-FZMZJTMJSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCO)C2)CC[N@@H+]1C ZINC001368244192 895937661 /nfs/dbraw/zinc/93/76/61/895937661.db2.gz GXQHFCZIRAWYDC-GZBFAFLISA-N 2 0 299.415 -0.738 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368339225 895985758 /nfs/dbraw/zinc/98/57/58/895985758.db2.gz VDNRZIALQBFVED-NEPJUHHUSA-N 2 0 296.415 -0.360 20 0 CBADRP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC(N)=O)CC1)[NH+](C)C ZINC001368513895 896027628 /nfs/dbraw/zinc/02/76/28/896027628.db2.gz LHLUSJUBSSZAAS-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)[C@@H]1CCNC1=O ZINC001368569710 896038485 /nfs/dbraw/zinc/03/84/85/896038485.db2.gz TZOOZJLJBMVOLU-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001368679922 896058445 /nfs/dbraw/zinc/05/84/45/896058445.db2.gz ZFAMLLHMSNTQOE-CHWSQXEVSA-N 2 0 299.415 -0.596 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001368748364 896073605 /nfs/dbraw/zinc/07/36/05/896073605.db2.gz KKEMDBBDKQEASE-YNEHKIRRSA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001368868964 896100779 /nfs/dbraw/zinc/10/07/79/896100779.db2.gz PLNUBANAXKLIIC-NWDGAFQWSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001368880515 896104942 /nfs/dbraw/zinc/10/49/42/896104942.db2.gz FGXPRKDSHDNGHN-QWRGUYRKSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)[C@H]1CCNC1=O ZINC001368971093 896123856 /nfs/dbraw/zinc/12/38/56/896123856.db2.gz CQMPEZUXUWYVNH-AAEUAGOBSA-N 2 0 296.415 -0.347 20 0 CBADRP CCCC[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001369056797 896144448 /nfs/dbraw/zinc/14/44/48/896144448.db2.gz MXMXDIDCXACZDB-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP COC[C@@H](O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001369094931 896153973 /nfs/dbraw/zinc/15/39/73/896153973.db2.gz UZARUBVOLWZEBD-FPMFFAJLSA-N 2 0 299.415 -0.476 20 0 CBADRP C[N@H+](CC(=O)NC[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21)C1CCC1 ZINC001369136260 896158350 /nfs/dbraw/zinc/15/83/50/896158350.db2.gz UHFRUASUFTVBFZ-ZSOGYDGISA-N 2 0 281.400 -0.243 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001369163557 896161348 /nfs/dbraw/zinc/16/13/48/896161348.db2.gz ZGXWLGZFSBASTI-CNDDSTCGSA-N 2 0 282.388 -0.894 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001369173958 896164472 /nfs/dbraw/zinc/16/44/72/896164472.db2.gz PXGAIGQOWBSFDO-BJDJZHNGSA-N 2 0 284.404 -0.315 20 0 CBADRP CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)Cn2ccnc2)C1)C(N)=O ZINC001369187972 896167305 /nfs/dbraw/zinc/16/73/05/896167305.db2.gz ZTDVDCFUGPMCHV-IJLUTSLNSA-N 2 0 293.371 -0.369 20 0 CBADRP CCN1CC[C@H]([NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C)C1=O ZINC001369275212 896185048 /nfs/dbraw/zinc/18/50/48/896185048.db2.gz IUTZRTQMLAOCML-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001369283454 896188230 /nfs/dbraw/zinc/18/82/30/896188230.db2.gz AWZVPHUBTQZMFO-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCF ZINC001369349094 896230310 /nfs/dbraw/zinc/23/03/10/896230310.db2.gz WVAOCNGDECUVKK-RYUDHWBXSA-N 2 0 275.368 -0.103 20 0 CBADRP O=C(NC[C@H](CO)[NH2+]CC1CCC1)C12CC[NH+](CC1)C2 ZINC001369383063 896249831 /nfs/dbraw/zinc/24/98/31/896249831.db2.gz PTUDDZIWHQRMJU-CYBMUJFWSA-N 2 0 281.400 -0.051 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CCC(F)(F)F)C1 ZINC001369386256 896249842 /nfs/dbraw/zinc/24/98/42/896249842.db2.gz SHCAYRATGBYEQR-UWVGGRQHSA-N 2 0 297.321 -0.043 20 0 CBADRP CN(C[C@@H](O)C[N@H+](C)CCCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001369516867 896308415 /nfs/dbraw/zinc/30/84/15/896308415.db2.gz TZOLOEOHCFUXGS-STQMWFEESA-N 2 0 287.404 -0.928 20 0 CBADRP COCC[N@H+](CCO)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001369550211 896316851 /nfs/dbraw/zinc/31/68/51/896316851.db2.gz IFVVWKVZPFIXIT-AWEZNQCLSA-N 2 0 299.415 -0.615 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001369553764 896318865 /nfs/dbraw/zinc/31/88/65/896318865.db2.gz LZGDQTSUOMPMHH-LLVKDONJSA-N 2 0 286.420 -0.066 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C(=O)CC[NH+](C)C ZINC001369836468 896347658 /nfs/dbraw/zinc/34/76/58/896347658.db2.gz HGLQWFGMGFOBJJ-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001370014757 896385017 /nfs/dbraw/zinc/38/50/17/896385017.db2.gz HTSUSVYHZDRIRR-CHWSQXEVSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001370018040 896392294 /nfs/dbraw/zinc/39/22/94/896392294.db2.gz OBRYIRUMTKWJTN-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC)C1 ZINC001370405921 896422600 /nfs/dbraw/zinc/42/26/00/896422600.db2.gz SGIXKIGFYMDIAK-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001370424372 896426544 /nfs/dbraw/zinc/42/65/44/896426544.db2.gz CVWAERHDLUIWMB-LBPRGKRZSA-N 2 0 284.404 -0.347 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001370629826 896451909 /nfs/dbraw/zinc/45/19/09/896451909.db2.gz XVFTVNZKTLNRRQ-TUAOUCFPSA-N 2 0 282.388 -0.594 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC001370636098 896454656 /nfs/dbraw/zinc/45/46/56/896454656.db2.gz JWQRGDSNUCVZDB-GRYCIOLGSA-N 2 0 294.399 -0.404 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001370666654 896469559 /nfs/dbraw/zinc/46/95/59/896469559.db2.gz PHFJBEYVHCXXSZ-TUAOUCFPSA-N 2 0 273.377 -0.818 20 0 CBADRP CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001370672087 896473379 /nfs/dbraw/zinc/47/33/79/896473379.db2.gz YKOUPHJKYZQJQQ-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001370706209 896483712 /nfs/dbraw/zinc/48/37/12/896483712.db2.gz UJVSJELWIAEAFS-PHIMTYICSA-N 2 0 270.377 -0.689 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001370807571 896505549 /nfs/dbraw/zinc/50/55/49/896505549.db2.gz LXIBGFLCPYSIHN-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001370830752 896508547 /nfs/dbraw/zinc/50/85/47/896508547.db2.gz IBFVALMNUISCBD-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001370837021 896510772 /nfs/dbraw/zinc/51/07/72/896510772.db2.gz PYDIZKHFUVZTOK-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001370982005 896528149 /nfs/dbraw/zinc/52/81/49/896528149.db2.gz WBLMVOJXBBUIRA-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)N(C)C ZINC001371320926 896590519 /nfs/dbraw/zinc/59/05/19/896590519.db2.gz PGVBTFOTEAUVMF-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCCN(C)C1=O ZINC001371476204 896618481 /nfs/dbraw/zinc/61/84/81/896618481.db2.gz VMSHWARBTDLACX-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001371472958 896618811 /nfs/dbraw/zinc/61/88/11/896618811.db2.gz HZAPHAAPDVTCHW-OCCSQVGLSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001371560978 896635883 /nfs/dbraw/zinc/63/58/83/896635883.db2.gz FEPGUTXGTGZQSN-FRRDWIJNSA-N 2 0 296.415 -0.489 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001371661230 896647003 /nfs/dbraw/zinc/64/70/03/896647003.db2.gz UXEAEEFSDSYQLM-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C ZINC001371827892 896666693 /nfs/dbraw/zinc/66/66/93/896666693.db2.gz OQVUUBCFCSCEBT-QWRGUYRKSA-N 2 0 272.393 -0.443 20 0 CBADRP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1nncn1C ZINC001371878043 896675030 /nfs/dbraw/zinc/67/50/30/896675030.db2.gz JCSZAAMPKXGFPZ-LBPRGKRZSA-N 2 0 294.403 -0.105 20 0 CBADRP COC[C@H](O)C[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001372225961 896752319 /nfs/dbraw/zinc/75/23/19/896752319.db2.gz YCFWXLTVNCIOBL-GFCCVEGCSA-N 2 0 273.377 -0.863 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCCNC1=O ZINC001372394404 896782971 /nfs/dbraw/zinc/78/29/71/896782971.db2.gz ICYKWZQESOUKTN-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP Cn1ncc(CN2CC[C@H](CNC(=O)CC[NH+](C)C)C2)n1 ZINC001372652373 896830769 /nfs/dbraw/zinc/83/07/69/896830769.db2.gz PLOCELRNFSXCJB-GFCCVEGCSA-N 2 0 294.403 -0.295 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001372674150 896836578 /nfs/dbraw/zinc/83/65/78/896836578.db2.gz ZEMCRKIWDITQSB-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001372662559 896837418 /nfs/dbraw/zinc/83/74/18/896837418.db2.gz BWKUDVWZOIVGFF-LBPRGKRZSA-N 2 0 284.404 -0.358 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001372912394 896898883 /nfs/dbraw/zinc/89/88/83/896898883.db2.gz ZYVMNJNGVWZGNV-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@@H]([NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001372934306 896906549 /nfs/dbraw/zinc/90/65/49/896906549.db2.gz BVELQELSABPBAT-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001372940700 896909000 /nfs/dbraw/zinc/90/90/00/896909000.db2.gz ZQRVNZGJLGAANH-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001372970459 896916403 /nfs/dbraw/zinc/91/64/03/896916403.db2.gz WWYAYMTZWLJMJS-LLVKDONJSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[C@H]([NH2+]CCN(C)C(=O)[C@H](CC)[NH+](C)C)C(N)=O ZINC001372966350 896917295 /nfs/dbraw/zinc/91/72/95/896917295.db2.gz GOJJWKDLVLMEBY-QWRGUYRKSA-N 2 0 272.393 -0.362 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)CC[NH+](C)C ZINC001372984236 896919655 /nfs/dbraw/zinc/91/96/55/896919655.db2.gz MXFJHSQQPRPUQJ-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(C)C(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001373288913 896966504 /nfs/dbraw/zinc/96/65/04/896966504.db2.gz BWRYLTWMSAAEOC-ZDUSSCGKSA-N 2 0 298.431 -0.193 20 0 CBADRP CN(C)C(=O)C[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001373288912 896969648 /nfs/dbraw/zinc/96/96/48/896969648.db2.gz BWRYLTWMSAAEOC-CYBMUJFWSA-N 2 0 298.431 -0.193 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001373311829 896971987 /nfs/dbraw/zinc/97/19/87/896971987.db2.gz KDLRQWBNJQLSSS-VXGBXAGGSA-N 2 0 282.388 -0.796 20 0 CBADRP CC[C@H](C(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001373453982 897019462 /nfs/dbraw/zinc/01/94/62/897019462.db2.gz GHLMQQKNGPVOKB-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP CC[C@@H](C(=O)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001373453997 897021770 /nfs/dbraw/zinc/02/17/70/897021770.db2.gz GHLMQQKNGPVOKB-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP CC[C@@H](C(=O)N(CC)[C@H]1CCN(CC(=O)NC)C1)[NH+](C)C ZINC001373707018 897099045 /nfs/dbraw/zinc/09/90/45/897099045.db2.gz FSYLWDUSIHINAK-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001373963350 897141017 /nfs/dbraw/zinc/14/10/17/897141017.db2.gz BAIYTFFHSAQYSD-JHJVBQTASA-N 2 0 296.415 -0.075 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001373965496 897145675 /nfs/dbraw/zinc/14/56/75/897145675.db2.gz GCPWDXZHNOUTMQ-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001374017623 897154647 /nfs/dbraw/zinc/15/46/47/897154647.db2.gz WRMZGWGFSUZURL-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001374112371 897171037 /nfs/dbraw/zinc/17/10/37/897171037.db2.gz NKDRUCNCAQYYQX-LLVKDONJSA-N 2 0 272.393 -0.586 20 0 CBADRP CC[C@H]([NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001374101989 897172482 /nfs/dbraw/zinc/17/24/82/897172482.db2.gz XVGDTINQJZMHCQ-RYUDHWBXSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)CC[NH+](C)C ZINC001374279029 897202127 /nfs/dbraw/zinc/20/21/27/897202127.db2.gz WVYMVSZWBYIXMT-MNOVXSKESA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001374271983 897202884 /nfs/dbraw/zinc/20/28/84/897202884.db2.gz RTJFJUCQAYYUDH-VXGBXAGGSA-N 2 0 284.404 -0.395 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001374271411 897203965 /nfs/dbraw/zinc/20/39/65/897203965.db2.gz NBWRIZAGAHNSJW-YNEHKIRRSA-N 2 0 287.404 -0.476 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001374333761 897214519 /nfs/dbraw/zinc/21/45/19/897214519.db2.gz ZMMUBOXDKHMFQK-NWDGAFQWSA-N 2 0 284.404 -0.348 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001374333766 897214932 /nfs/dbraw/zinc/21/49/32/897214932.db2.gz ZMMUBOXDKHMFQK-VXGBXAGGSA-N 2 0 284.404 -0.348 20 0 CBADRP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCNC1=O ZINC001374446460 897230224 /nfs/dbraw/zinc/23/02/24/897230224.db2.gz KMYLIODFAOKBMR-OLZOCXBDSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001374442698 897230491 /nfs/dbraw/zinc/23/04/91/897230491.db2.gz FILWXWCIUMVFFN-NEPJUHHUSA-N 2 0 284.404 -0.456 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC(N)=O)C1 ZINC001374562382 897263308 /nfs/dbraw/zinc/26/33/08/897263308.db2.gz PENRHZSJQNVBGK-STQMWFEESA-N 2 0 296.415 -0.264 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cncs1 ZINC001374588973 897287006 /nfs/dbraw/zinc/28/70/06/897287006.db2.gz GRJNMCRRKGTWNT-ZYHUDNBSSA-N 2 0 298.412 -0.196 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cncs1 ZINC001374588969 897288369 /nfs/dbraw/zinc/28/83/69/897288369.db2.gz GRJNMCRRKGTWNT-PWSUYJOCSA-N 2 0 298.412 -0.196 20 0 CBADRP CC[NH2+]C[C@@H](O)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001374600907 897298787 /nfs/dbraw/zinc/29/87/87/897298787.db2.gz APKWWWCDVLJVQU-LLVKDONJSA-N 2 0 283.376 -0.855 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]C[C@@H]2CCOC2)CC1 ZINC001374643579 897324686 /nfs/dbraw/zinc/32/46/86/897324686.db2.gz QRFSUWBOMTYVOE-JSGCOSHPSA-N 2 0 299.415 -0.569 20 0 CBADRP CC[C@H](C(=O)N1CC(NC(=O)CC[N@H+](C)CC)C1)[NH+](C)C ZINC001374762872 897381044 /nfs/dbraw/zinc/38/10/44/897381044.db2.gz JPEGGNDHEHEVJL-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001374873843 897416131 /nfs/dbraw/zinc/41/61/31/897416131.db2.gz UDHIZCWVAHASRD-QJPTWQEYSA-N 2 0 273.377 -0.818 20 0 CBADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCCNC1=O)[NH+](C)C ZINC001374932149 897433893 /nfs/dbraw/zinc/43/38/93/897433893.db2.gz VDFRFIQGODHBJU-YNEHKIRRSA-N 2 0 298.431 -0.055 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCCN(C)C1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001374923075 897434724 /nfs/dbraw/zinc/43/47/24/897434724.db2.gz ZDQVBEBWCBXCJZ-YNEHKIRRSA-N 2 0 296.415 -0.204 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(N)=O)C1 ZINC001374928361 897435453 /nfs/dbraw/zinc/43/54/53/897435453.db2.gz NPQXEPLDZKHUBB-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnn(C)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374978253 897447125 /nfs/dbraw/zinc/44/71/25/897447125.db2.gz WZCAHCPFRFRJDH-WCQYABFASA-N 2 0 279.388 -0.034 20 0 CBADRP C[C@@H]([NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CC1)C(=O)N(C)C ZINC001375255282 897502663 /nfs/dbraw/zinc/50/26/63/897502663.db2.gz LSHOBHNAFVCXPQ-YPMHNXCESA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H]([NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CC1)C(=O)N(C)C ZINC001375255279 897503679 /nfs/dbraw/zinc/50/36/79/897503679.db2.gz LSHOBHNAFVCXPQ-AAEUAGOBSA-N 2 0 298.431 -0.101 20 0 CBADRP NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001375435660 897542010 /nfs/dbraw/zinc/54/20/10/897542010.db2.gz JEMGTTXPZQZUHK-RYUDHWBXSA-N 2 0 294.399 -0.273 20 0 CBADRP COC[C@@H](O)C[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001375467174 897546423 /nfs/dbraw/zinc/54/64/23/897546423.db2.gz SUATULLDOLHTLT-ZDUSSCGKSA-N 2 0 299.415 -0.426 20 0 CBADRP CC[C@@H](C(=O)NCC1([NH2+][C@H]2CCN(C)C2=O)CC1)[NH+](C)C ZINC001375521123 897561112 /nfs/dbraw/zinc/56/11/12/897561112.db2.gz LRPQZESWJSKCJC-RYUDHWBXSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC)C1)[NH+](C)C ZINC001375515843 897561126 /nfs/dbraw/zinc/56/11/26/897561126.db2.gz XJXBLMVFJSNEPA-NDBYEHHHSA-N 2 0 298.431 -0.055 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+][C@@H]3CCCNC3=O)CC2)C1 ZINC001375546839 897563125 /nfs/dbraw/zinc/56/31/25/897563125.db2.gz ZLSWQZWHCPBKIV-NWDGAFQWSA-N 2 0 294.399 -0.545 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CC[NH+](C)C ZINC001375740028 897599128 /nfs/dbraw/zinc/59/91/28/897599128.db2.gz FYCHEPQXATYIEB-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001375750101 897601758 /nfs/dbraw/zinc/60/17/58/897601758.db2.gz UACCLVHEOYUORL-QWHCGFSZSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001375759108 897602838 /nfs/dbraw/zinc/60/28/38/897602838.db2.gz ZEHTVWFYQJPGHF-AAEUAGOBSA-N 2 0 296.415 -0.075 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001375764298 897603950 /nfs/dbraw/zinc/60/39/50/897603950.db2.gz ORVDZPNYEKGRNS-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001375764295 897604025 /nfs/dbraw/zinc/60/40/25/897604025.db2.gz ORVDZPNYEKGRNS-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC ZINC001375767988 897605930 /nfs/dbraw/zinc/60/59/30/897605930.db2.gz RKFBBKBOHZAOCN-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CCNC(=O)CN1CC[C@@H](NC(=O)Cn2ccnc2C)C1 ZINC001376157617 897674990 /nfs/dbraw/zinc/67/49/90/897674990.db2.gz WBXJYJYCNGPDJX-GFCCVEGCSA-N 2 0 293.371 -0.482 20 0 CBADRP CCCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001376155951 897675385 /nfs/dbraw/zinc/67/53/85/897675385.db2.gz QYJDJZDGGFNXLU-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC)C1)[NH+](C)C ZINC001376332392 897713298 /nfs/dbraw/zinc/71/32/98/897713298.db2.gz RQGIZGPYLNETLX-GRYCIOLGSA-N 2 0 284.404 -0.348 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001376370403 897719534 /nfs/dbraw/zinc/71/95/34/897719534.db2.gz XVFTVNZKTLNRRQ-SRVKXCTJSA-N 2 0 282.388 -0.594 20 0 CBADRP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)CC1 ZINC001376419720 897729271 /nfs/dbraw/zinc/72/92/71/897729271.db2.gz VLJRLBFRMOAQBW-TXEJJXNPSA-N 2 0 294.399 -0.796 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001376478409 897754347 /nfs/dbraw/zinc/75/43/47/897754347.db2.gz NPLGTJKLZIFWHZ-TXEJJXNPSA-N 2 0 282.388 -0.547 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001376499031 897759111 /nfs/dbraw/zinc/75/91/11/897759111.db2.gz CKAALDMGQPGIOX-XQQFMLRXSA-N 2 0 285.388 -0.674 20 0 CBADRP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001376601463 897780163 /nfs/dbraw/zinc/78/01/63/897780163.db2.gz IYDPKYFWAREZCR-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N(C)C1CC1 ZINC001376696009 897810408 /nfs/dbraw/zinc/81/04/08/897810408.db2.gz CBMFZIUQAXOOGN-WCQYABFASA-N 2 0 296.415 -0.204 20 0 CBADRP NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCC1 ZINC001376735207 897828559 /nfs/dbraw/zinc/82/85/59/897828559.db2.gz BIOMITYKYYDMKC-GFCCVEGCSA-N 2 0 294.399 -0.558 20 0 CBADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cnnn1C ZINC001376737827 897829613 /nfs/dbraw/zinc/82/96/13/897829613.db2.gz FFDCKDOBGKEUNG-NSHDSACASA-N 2 0 294.403 -0.106 20 0 CBADRP CC[C@H](C(=O)NCC1([NH2+]CC(N)=O)CCC1)[NH+](C)C ZINC001376748443 897831598 /nfs/dbraw/zinc/83/15/98/897831598.db2.gz DTSAIVZOKMTVFM-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001376749903 897832604 /nfs/dbraw/zinc/83/26/04/897832604.db2.gz GOXPTTOOIPZDKF-STQMWFEESA-N 2 0 299.415 -0.284 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001376741783 897833253 /nfs/dbraw/zinc/83/32/53/897833253.db2.gz ABTNVFITHFVDPN-GFCCVEGCSA-N 2 0 296.415 -0.025 20 0 CBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@@H]1CCCNC1=O ZINC001376804525 897851890 /nfs/dbraw/zinc/85/18/90/897851890.db2.gz CPILZGJOQNKPRZ-DGCLKSJQSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@H]1CCCNC1=O ZINC001376804523 897854045 /nfs/dbraw/zinc/85/40/45/897854045.db2.gz CPILZGJOQNKPRZ-AAEUAGOBSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001376811556 897854450 /nfs/dbraw/zinc/85/44/50/897854450.db2.gz VNFNLRBAOOOCGX-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001376853453 897870802 /nfs/dbraw/zinc/87/08/02/897870802.db2.gz WNZUOUIBHMRAOX-QWHCGFSZSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[C@H]([NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001376853905 897871817 /nfs/dbraw/zinc/87/18/17/897871817.db2.gz JKVPNEMTRCBKRR-QWRGUYRKSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NCC1CC1 ZINC001376873422 897876436 /nfs/dbraw/zinc/87/64/36/897876436.db2.gz DVKZQJHCOIZRKK-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376916702 897891324 /nfs/dbraw/zinc/89/13/24/897891324.db2.gz VNLBKTPCANMRJE-NSHDSACASA-N 2 0 282.388 -0.735 20 0 CBADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001376914284 897891386 /nfs/dbraw/zinc/89/13/86/897891386.db2.gz JIKQYGXIFFPKTE-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001376933621 897895041 /nfs/dbraw/zinc/89/50/41/897895041.db2.gz WBPRMHRCQIOZKO-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001376964517 897901008 /nfs/dbraw/zinc/90/10/08/897901008.db2.gz YGKXDTDMSWQOJO-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)NC(=O)C[NH+]1CCCC1 ZINC001376963386 897901492 /nfs/dbraw/zinc/90/14/92/897901492.db2.gz KGSJMVDWGBJGGF-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP NC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001376969024 897903727 /nfs/dbraw/zinc/90/37/27/897903727.db2.gz OVGAMIRJNRMEKQ-ZDUSSCGKSA-N 2 0 296.415 -0.072 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CCC[NH+](C)[C@@H]1CCNC1=O ZINC001377005047 897908496 /nfs/dbraw/zinc/90/84/96/897908496.db2.gz QJIZRQPLESSGQV-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CCNC(=O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001377016696 897911690 /nfs/dbraw/zinc/91/16/90/897911690.db2.gz HLYQRTDFGPOSIN-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001377114393 897932866 /nfs/dbraw/zinc/93/28/66/897932866.db2.gz VTTSJCMWXWLERS-NWDGAFQWSA-N 2 0 286.420 -0.055 20 0 CBADRP COC[C@H](O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001377126741 897936822 /nfs/dbraw/zinc/93/68/22/897936822.db2.gz DTGIMTXETGQHOB-NEPJUHHUSA-N 2 0 273.377 -0.864 20 0 CBADRP CCCNC(=O)CN(C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001377253079 897985117 /nfs/dbraw/zinc/98/51/17/897985117.db2.gz UMLGOJWKASBNMH-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[C@@H](C(=O)NCC[N@H+](CC)[C@H]1CCNC1=O)[NH+](C)C ZINC001377338976 898016030 /nfs/dbraw/zinc/01/60/30/898016030.db2.gz WHGFCPYWVAITRW-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001377456155 898053794 /nfs/dbraw/zinc/05/37/94/898053794.db2.gz SPJMBGIEGFQAKT-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001377449203 898054416 /nfs/dbraw/zinc/05/44/16/898054416.db2.gz BNQDVRIBIDVHAA-NSHDSACASA-N 2 0 282.388 -0.748 20 0 CBADRP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001377458085 898055592 /nfs/dbraw/zinc/05/55/92/898055592.db2.gz WUVFNGBUKFPZRH-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001377458089 898055695 /nfs/dbraw/zinc/05/56/95/898055695.db2.gz WUVFNGBUKFPZRH-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001377511402 898070949 /nfs/dbraw/zinc/07/09/49/898070949.db2.gz FEQKUXAPGXEXLK-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001377523484 898077950 /nfs/dbraw/zinc/07/79/50/898077950.db2.gz KKEMDBBDKQEASE-XQQFMLRXSA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001377572492 898089942 /nfs/dbraw/zinc/08/99/42/898089942.db2.gz GTPWWHKAXDLBKE-JTQLQIEISA-N 2 0 270.377 -0.608 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001377595432 898101900 /nfs/dbraw/zinc/10/19/00/898101900.db2.gz QZXXWGSQVCJJIQ-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP CCCN(C(=O)CC[NH+](C)C)[C@H]1CCN(CC(N)=O)C1 ZINC001377650476 898110676 /nfs/dbraw/zinc/11/06/76/898110676.db2.gz CHNIZYAQVOEMDU-LBPRGKRZSA-N 2 0 284.404 -0.264 20 0 CBADRP Cn1nnnc1C[NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001377720672 898120224 /nfs/dbraw/zinc/12/02/24/898120224.db2.gz WBNOLJRAABPEFP-UHFFFAOYSA-N 2 0 295.391 -0.854 20 0 CBADRP CN(CCN1CC[NH+](CCO)CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001377740236 898125725 /nfs/dbraw/zinc/12/57/25/898125725.db2.gz LXYDAGAAKAOVLT-AWEZNQCLSA-N 2 0 298.431 -0.994 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001377766147 898133891 /nfs/dbraw/zinc/13/38/91/898133891.db2.gz GWLXXPDVPBGOFE-NWDGAFQWSA-N 2 0 282.388 -0.654 20 0 CBADRP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]CC(N)=O ZINC001377844110 898147057 /nfs/dbraw/zinc/14/70/57/898147057.db2.gz WEYDZVLBPKWWFM-UWVGGRQHSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CCN1CCNC1=O ZINC001378121505 898243946 /nfs/dbraw/zinc/24/39/46/898243946.db2.gz ISDVEPDTEHNXFX-GFCCVEGCSA-N 2 0 299.419 -0.600 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)N(C)CC(=O)N1CCCC1 ZINC001378118914 898244763 /nfs/dbraw/zinc/24/47/63/898244763.db2.gz BEWBSFIIENPEKI-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001378133764 898250111 /nfs/dbraw/zinc/25/01/11/898250111.db2.gz NKBJCGLTBZFSML-GFCCVEGCSA-N 2 0 285.388 -0.720 20 0 CBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)[C@@H]1CCNC1=O ZINC001378195641 898270793 /nfs/dbraw/zinc/27/07/93/898270793.db2.gz YJANAFAXFZKNLJ-NWDGAFQWSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@H]([NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCC1)C(N)=O ZINC001378383702 898325395 /nfs/dbraw/zinc/32/53/95/898325395.db2.gz SAKXKRRYSPXECB-RYUDHWBXSA-N 2 0 296.415 -0.170 20 0 CBADRP CNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001378429179 898330007 /nfs/dbraw/zinc/33/00/07/898330007.db2.gz IBRNEYHISYDTIA-IAQYHMDHSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001378501455 898338830 /nfs/dbraw/zinc/33/88/30/898338830.db2.gz PSRKAZKVWJADNQ-VXGBXAGGSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H](NC(=O)COC1CC[NH+](C)CC1)C1C[NH+](CCO)C1 ZINC001378571702 898354645 /nfs/dbraw/zinc/35/46/45/898354645.db2.gz IBPLDXFTIMINMF-LBPRGKRZSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001378654727 898380783 /nfs/dbraw/zinc/38/07/83/898380783.db2.gz XIZZWPOEDTZWCO-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CCO)C1 ZINC001378765126 898406264 /nfs/dbraw/zinc/40/62/64/898406264.db2.gz QDMOXYKUKIOWQK-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001378779557 898408783 /nfs/dbraw/zinc/40/87/83/898408783.db2.gz XCRZFOIIONZYGC-MNOVXSKESA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)C[NH+]1CCCC1 ZINC001378852256 898422428 /nfs/dbraw/zinc/42/24/28/898422428.db2.gz LBSQMDRLMIBJQJ-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)C[NH+]1CCCC1 ZINC001378854143 898423786 /nfs/dbraw/zinc/42/37/86/898423786.db2.gz QFJLFVREOOIKRH-GFCCVEGCSA-N 2 0 294.403 -0.153 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001378844750 898424365 /nfs/dbraw/zinc/42/43/65/898424365.db2.gz QPCBJPUSBJVZGH-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001378861996 898426178 /nfs/dbraw/zinc/42/61/78/898426178.db2.gz VKEYQEKQGRLORY-OLZOCXBDSA-N 2 0 298.431 -0.006 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001378862008 898426666 /nfs/dbraw/zinc/42/66/66/898426666.db2.gz VKEYQEKQGRLORY-QWHCGFSZSA-N 2 0 298.431 -0.006 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001378896093 898431701 /nfs/dbraw/zinc/43/17/01/898431701.db2.gz KFRLVRHBVGHSIS-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]CC(=O)NC)C1CC1)[NH+](C)C ZINC001379037840 898450666 /nfs/dbraw/zinc/45/06/66/898450666.db2.gz WJRIQJUDVBRCPG-STQMWFEESA-N 2 0 298.431 -0.101 20 0 CBADRP COC[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001379081357 898462416 /nfs/dbraw/zinc/46/24/16/898462416.db2.gz GLJMCOYQBUPXOW-CHWSQXEVSA-N 2 0 287.404 -0.522 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CC(N)=O)C1 ZINC001379148692 898473050 /nfs/dbraw/zinc/47/30/50/898473050.db2.gz JOCLONGEUTUVTE-QWHCGFSZSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@@H](CN(C)C(=O)CCn1ccnc1)[NH2+]CC(=O)N(C)C ZINC001379182006 898494398 /nfs/dbraw/zinc/49/43/98/898494398.db2.gz UGUOEUIMADIGBA-LBPRGKRZSA-N 2 0 295.387 -0.202 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1conc1C)[NH+](C)C ZINC001379259157 898528221 /nfs/dbraw/zinc/52/82/21/898528221.db2.gz OFWZMSLSGNHMEC-QWHCGFSZSA-N 2 0 298.387 -0.110 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnns2)C1 ZINC001379280510 898536581 /nfs/dbraw/zinc/53/65/81/898536581.db2.gz DGJALRQPOLEUGU-VHSXEESVSA-N 2 0 299.400 -0.944 20 0 CBADRP C[C@H](CC[NH2+][C@H](C)C(=O)N(C)C)NC(=O)CC[NH+](C)C ZINC001379316193 898548339 /nfs/dbraw/zinc/54/83/39/898548339.db2.gz VDJVBQLJMFYVTD-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@H](CC[NH2+][C@H](C)C(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001379361846 898575385 /nfs/dbraw/zinc/57/53/85/898575385.db2.gz BNGCMWMNLOCBTK-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCn1cccn1 ZINC001379375610 898588245 /nfs/dbraw/zinc/58/82/45/898588245.db2.gz VPJRAFKHAOTVGX-CHWSQXEVSA-N 2 0 295.387 -0.956 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001379412046 898604048 /nfs/dbraw/zinc/60/40/48/898604048.db2.gz BNHVFOBHYOZTSM-LLVKDONJSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001379421181 898605923 /nfs/dbraw/zinc/60/59/23/898605923.db2.gz SIPYDNAOWNCVGG-ZYHUDNBSSA-N 2 0 282.388 -0.689 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001379469686 898625915 /nfs/dbraw/zinc/62/59/15/898625915.db2.gz OOMYSWBOVADKIB-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CC(C)[NH2+][C@H](CO)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001379499191 898643369 /nfs/dbraw/zinc/64/33/69/898643369.db2.gz SCVXMWPKOHVOSJ-ZDUSSCGKSA-N 2 0 297.403 -0.467 20 0 CBADRP CC(C)[NH2+][C@@H](CO)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001379531949 898657646 /nfs/dbraw/zinc/65/76/46/898657646.db2.gz XPDHITATAGOPHE-CHWSQXEVSA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)C1CC[NH+](C)CC1 ZINC001379550984 898664550 /nfs/dbraw/zinc/66/45/50/898664550.db2.gz MCJUGKNYQDTFMI-NSHDSACASA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@H](C[N@H+](C)[C@@H]1CCCNC1=O)NC(=O)CC[NH+](C)C ZINC001379743645 898715712 /nfs/dbraw/zinc/71/57/12/898715712.db2.gz QGXVBDSYMVYZGK-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)CN(C)CC(=O)N(C)C ZINC001379770329 898722716 /nfs/dbraw/zinc/72/27/16/898722716.db2.gz OPGVSCNYIMQADW-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001379893781 898754820 /nfs/dbraw/zinc/75/48/20/898754820.db2.gz MQXAEBGPVPPIQR-CYBMUJFWSA-N 2 0 296.415 -0.441 20 0 CBADRP CN(C[C@@H](O)C[N@H+](C)CCCO)C(=O)C[NH+]1CCCC1 ZINC001379970090 898778312 /nfs/dbraw/zinc/77/83/12/898778312.db2.gz KSPWBHGEUCDYGY-ZDUSSCGKSA-N 2 0 287.404 -0.784 20 0 CBADRP CC[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001380070894 898798989 /nfs/dbraw/zinc/79/89/89/898798989.db2.gz YDMVEKCGXMYNIB-MNOVXSKESA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@@H](Cc1c[nH]cn1)C(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC001380174185 898824464 /nfs/dbraw/zinc/82/44/64/898824464.db2.gz JYFRMWPEIJYEOP-BMQDGWLCSA-N 2 0 293.371 -0.347 20 0 CBADRP CN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001380174882 898827010 /nfs/dbraw/zinc/82/70/10/898827010.db2.gz HIMSUCIIDKOKLC-HIFPTAJRSA-N 2 0 296.415 -0.395 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001380289370 898851782 /nfs/dbraw/zinc/85/17/82/898851782.db2.gz JMIHUCJVZBRERE-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001380289372 898852932 /nfs/dbraw/zinc/85/29/32/898852932.db2.gz JMIHUCJVZBRERE-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@H](O)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCOCC1 ZINC001380505831 898878751 /nfs/dbraw/zinc/87/87/51/898878751.db2.gz VUKUPBKAYCFROX-LBPRGKRZSA-N 2 0 287.404 -0.426 20 0 CBADRP CNC(=O)C[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001380451782 898879523 /nfs/dbraw/zinc/87/95/23/898879523.db2.gz XDSJPEUEXNSHGT-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001380689479 898933975 /nfs/dbraw/zinc/93/39/75/898933975.db2.gz PSYWWPWNBJWWBQ-RYUDHWBXSA-N 2 0 284.404 -0.504 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001380704304 898937441 /nfs/dbraw/zinc/93/74/41/898937441.db2.gz NCHWYHFAWHSFDB-FRRDWIJNSA-N 2 0 294.399 -0.783 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001380784430 898948805 /nfs/dbraw/zinc/94/88/05/898948805.db2.gz ADZUJXXZIVKKTD-FRRDWIJNSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)N(C)C(=O)CC[NH+](C)C ZINC001380846226 898960024 /nfs/dbraw/zinc/96/00/24/898960024.db2.gz FNDHWTOVJRBFFF-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001380897876 898966416 /nfs/dbraw/zinc/96/64/16/898966416.db2.gz QJFJXUHMSBMRHB-QWHCGFSZSA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001380912011 898968604 /nfs/dbraw/zinc/96/86/04/898968604.db2.gz HNQOSGZMYMKUFX-GXTWGEPZSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@](CO)([NH2+]CCO)C2)CC[N@@H+]1C ZINC001381045175 898989145 /nfs/dbraw/zinc/98/91/45/898989145.db2.gz NPUJXDGFQRIEOR-NFAWXSAZSA-N 2 0 299.415 -0.738 20 0 CBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CC(=O)NC1CC1 ZINC001381103546 898999097 /nfs/dbraw/zinc/99/90/97/898999097.db2.gz MUIKTAJVXPLBKQ-AAEUAGOBSA-N 2 0 296.415 -0.347 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001381277580 899022032 /nfs/dbraw/zinc/02/20/32/899022032.db2.gz DUVFWQWJQWHRHI-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001381304481 899026546 /nfs/dbraw/zinc/02/65/46/899026546.db2.gz WTOWAGKJDDJKAL-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)[C@@H]1CCNC1=O ZINC001381535949 899077304 /nfs/dbraw/zinc/07/73/04/899077304.db2.gz NOAGRJATTDETRF-DGCLKSJQSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]([NH2+]CCO)[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001381937506 899131858 /nfs/dbraw/zinc/13/18/58/899131858.db2.gz UTIDJCDFBUUXME-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001381998102 899139206 /nfs/dbraw/zinc/13/92/06/899139206.db2.gz RNIPVNYCTGKVDN-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(N)=O ZINC001382121557 899160650 /nfs/dbraw/zinc/16/06/50/899160650.db2.gz LYIYHNNNHYHYTE-GHMZBOCLSA-N 2 0 270.377 -0.750 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001382123737 899161152 /nfs/dbraw/zinc/16/11/52/899161152.db2.gz PKIMGGMRCFYMTQ-RWMBFGLXSA-N 2 0 287.404 -0.476 20 0 CBADRP C[C@@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC(N)=O ZINC001382119984 899161379 /nfs/dbraw/zinc/16/13/79/899161379.db2.gz KSHDBKZOROOWTB-NSHDSACASA-N 2 0 286.420 -0.114 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC1CCOCC1 ZINC001382254737 899213780 /nfs/dbraw/zinc/21/37/80/899213780.db2.gz YZHDSNJAJZPSCQ-UONOGXRCSA-N 2 0 299.415 -0.426 20 0 CBADRP CCN1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(C)C)C1 ZINC001382283350 899232434 /nfs/dbraw/zinc/23/24/34/899232434.db2.gz MRCGYZBEHXFMQM-QWHCGFSZSA-N 2 0 287.404 -0.570 20 0 CBADRP CCN1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(C)C)C1 ZINC001382283351 899233365 /nfs/dbraw/zinc/23/33/65/899233365.db2.gz MRCGYZBEHXFMQM-STQMWFEESA-N 2 0 287.404 -0.570 20 0 CBADRP CN(C[C@@H](O)C[NH2+]C[C@@H]1CCOC1)C(=O)C[NH+]1CCCC1 ZINC001382442265 899296009 /nfs/dbraw/zinc/29/60/09/899296009.db2.gz LYAVMFZTJIRVEK-KBPBESRZSA-N 2 0 299.415 -0.472 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001385347760 899563910 /nfs/dbraw/zinc/56/39/10/899563910.db2.gz UBMZBZHABIYSFD-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001385886845 899598639 /nfs/dbraw/zinc/59/86/39/899598639.db2.gz LEQUTKZLXVTKDB-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001386007214 899608730 /nfs/dbraw/zinc/60/87/30/899608730.db2.gz JBRJRIJIDBXVAM-BETUJISGSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001386478201 899668537 /nfs/dbraw/zinc/66/85/37/899668537.db2.gz KTEXWHVOVHIMKM-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001387099814 899761937 /nfs/dbraw/zinc/76/19/37/899761937.db2.gz AXYZPXFVJOCFMU-YNEHKIRRSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[NH+](CC)CC(=O)N(C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001387671988 899808335 /nfs/dbraw/zinc/80/83/35/899808335.db2.gz ZAOSEBRHOPHCBY-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@H](C(=O)NC1CN(C(=O)CC[N@H+](C)CC)C1)[NH+](C)C ZINC001387781467 899828996 /nfs/dbraw/zinc/82/89/96/899828996.db2.gz SSFKGMBFPGXBOH-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001387805629 899835444 /nfs/dbraw/zinc/83/54/44/899835444.db2.gz ZROVVHHVAVVCGU-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@H](C(=O)NCCN(C)C(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001387855753 899843368 /nfs/dbraw/zinc/84/33/68/899843368.db2.gz PAHRTWJLWXCDRS-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@@H](C(=O)N(C)CCNC(=O)CC[NH+](C)C)[NH+](C)C ZINC001388057411 899862942 /nfs/dbraw/zinc/86/29/42/899862942.db2.gz KUPNAJIVWIRZRP-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001388414733 899888030 /nfs/dbraw/zinc/88/80/30/899888030.db2.gz YGRCKYRURMTXCU-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001388689183 899900893 /nfs/dbraw/zinc/90/08/93/899900893.db2.gz BAPMVIZMRYLYSM-JFGNBEQYSA-N 2 0 293.371 -0.300 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)NC(=O)Cn1ccnc1 ZINC001389416135 900008131 /nfs/dbraw/zinc/00/81/31/900008131.db2.gz FJOXXFGBRYIZRP-LBPRGKRZSA-N 2 0 295.387 -0.154 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001389798190 900074667 /nfs/dbraw/zinc/07/46/67/900074667.db2.gz OMMPUZVSPRZMGR-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001389854426 900084129 /nfs/dbraw/zinc/08/41/29/900084129.db2.gz AWBFQXGHHOLFDZ-CYDGBPFRSA-N 2 0 296.415 -0.029 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001389857505 900086611 /nfs/dbraw/zinc/08/66/11/900086611.db2.gz QYRVYHLEDXUAEF-XYPYZODXSA-N 2 0 282.388 -0.547 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001389903928 900088967 /nfs/dbraw/zinc/08/89/67/900088967.db2.gz YDOHJQZGWTVQRT-JOCQHMNTSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001389902409 900089132 /nfs/dbraw/zinc/08/91/32/900089132.db2.gz WGVXBNPPPVDGMG-YRGRVCCFSA-N 2 0 298.431 -0.102 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001389889182 900090426 /nfs/dbraw/zinc/09/04/26/900090426.db2.gz ZIJLAPMBJRIUID-HAQNSBGRSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH+](C)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001389932652 900096109 /nfs/dbraw/zinc/09/61/09/900096109.db2.gz RCIJWGWFLAWLKN-YHWZYXNKSA-N 2 0 296.415 -0.075 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001390015179 900103960 /nfs/dbraw/zinc/10/39/60/900103960.db2.gz YYUOLWNUZHGSPN-GARJFASQSA-N 2 0 270.377 -0.561 20 0 CBADRP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001390374003 900148480 /nfs/dbraw/zinc/14/84/80/900148480.db2.gz PLDQAUBYVJVLDR-JHJVBQTASA-N 2 0 298.431 -0.053 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001390411555 900153275 /nfs/dbraw/zinc/15/32/75/900153275.db2.gz XLRFFAFMLJERFG-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CCn1cncn1)[NH+](C)C ZINC001390466059 900166951 /nfs/dbraw/zinc/16/69/51/900166951.db2.gz HMYFRHQNJGRLMQ-QWHCGFSZSA-N 2 0 296.419 -0.041 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001390462743 900167406 /nfs/dbraw/zinc/16/74/06/900167406.db2.gz NHNZOJWRQFPICZ-WDEREUQCSA-N 2 0 284.404 -0.443 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001390506784 900177967 /nfs/dbraw/zinc/17/79/67/900177967.db2.gz HZTSHQJWPDBPHE-JSGCOSHPSA-N 2 0 298.431 -0.101 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001390523547 900182964 /nfs/dbraw/zinc/18/29/64/900182964.db2.gz UPWWSLKZFDLDAW-RYUDHWBXSA-N 2 0 273.377 -0.816 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCn1cccn1 ZINC001390524269 900183082 /nfs/dbraw/zinc/18/30/82/900183082.db2.gz XBKVKPSVCYAUHQ-CHWSQXEVSA-N 2 0 279.388 -0.071 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001390535298 900183265 /nfs/dbraw/zinc/18/32/65/900183265.db2.gz DGKKPPNMPQYYPX-NWDGAFQWSA-N 2 0 286.420 -0.102 20 0 CBADRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+][C@@H]1CCNC1=O ZINC001390537960 900184177 /nfs/dbraw/zinc/18/41/77/900184177.db2.gz YVAVSPBGRSJKFO-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001390590650 900194556 /nfs/dbraw/zinc/19/45/56/900194556.db2.gz FGFLEEIVWJGXRL-LLVKDONJSA-N 2 0 270.377 -0.748 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001390595923 900195732 /nfs/dbraw/zinc/19/57/32/900195732.db2.gz SARMHJNFTMALMX-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP C[C@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@H](C)C(N)=O ZINC001390678723 900208572 /nfs/dbraw/zinc/20/85/72/900208572.db2.gz KVRTZHJFJHEQMS-VXGBXAGGSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001390720738 900215934 /nfs/dbraw/zinc/21/59/34/900215934.db2.gz ZPJWFDYNXIFRKU-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)N(C)C(=O)CN(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001390857712 900267547 /nfs/dbraw/zinc/26/75/47/900267547.db2.gz COCNFNDOQMMOEW-CYBMUJFWSA-N 2 0 298.431 -0.147 20 0 CBADRP CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccnn1C ZINC001390858671 900269264 /nfs/dbraw/zinc/26/92/64/900269264.db2.gz FWJZCJBCXZTFLO-GFCCVEGCSA-N 2 0 279.388 -0.080 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCN(C)C1=O ZINC001391022800 900293151 /nfs/dbraw/zinc/29/31/51/900293151.db2.gz MHQFOZKJUFUUBU-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCN(C)C1=O ZINC001391022813 900294181 /nfs/dbraw/zinc/29/41/81/900294181.db2.gz MHQFOZKJUFUUBU-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1)C(=O)N(C)C ZINC001391199891 900334104 /nfs/dbraw/zinc/33/41/04/900334104.db2.gz HQEFPLNYZDOSFG-GFCCVEGCSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCCNC1=O)[NH+](C)C ZINC001391230212 900346854 /nfs/dbraw/zinc/34/68/54/900346854.db2.gz UDPGGKPSBYFIRI-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)CC(N)=O)C1 ZINC001391353011 900360000 /nfs/dbraw/zinc/36/00/00/900360000.db2.gz JXXSIZNJGUMAHP-LLVKDONJSA-N 2 0 270.377 -0.796 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC[C@H](C[N@@H+](C)CC(N)=O)C2)CCC1 ZINC001391349093 900362201 /nfs/dbraw/zinc/36/22/01/900362201.db2.gz QMYMGWFTRUBJFN-GFCCVEGCSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)CC(N)=O)C1 ZINC001391358121 900363610 /nfs/dbraw/zinc/36/36/10/900363610.db2.gz XYMLCGIQYDGMSJ-LBPRGKRZSA-N 2 0 284.404 -0.406 20 0 CBADRP CC[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001391697843 900434535 /nfs/dbraw/zinc/43/45/35/900434535.db2.gz WLEZCOFLMZHCNU-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001391697841 900434963 /nfs/dbraw/zinc/43/49/63/900434963.db2.gz WLEZCOFLMZHCNU-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP C[NH+](C)CCC(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001456235826 914447347 /nfs/dbraw/zinc/44/73/47/914447347.db2.gz CMEXRYGWXHUXPH-LBPRGKRZSA-N 2 0 282.388 -0.641 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001392127421 900520124 /nfs/dbraw/zinc/52/01/24/900520124.db2.gz VWPNKKGDMLRZQA-MNOVXSKESA-N 2 0 284.404 -0.362 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001392255292 900542084 /nfs/dbraw/zinc/54/20/84/900542084.db2.gz YSVVINSTRDKZTF-VXGBXAGGSA-N 2 0 284.404 -0.586 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001392346106 900574272 /nfs/dbraw/zinc/57/42/72/900574272.db2.gz QAIWQADHSPSDNZ-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001392439674 900617184 /nfs/dbraw/zinc/61/71/84/900617184.db2.gz KMOKLCFPXIYAKU-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(=O)N(C)C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001392437388 900617769 /nfs/dbraw/zinc/61/77/69/900617769.db2.gz BWMOCRUVIUQHQX-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001392487486 900635090 /nfs/dbraw/zinc/63/50/90/900635090.db2.gz MZLDTQHQTSYUJU-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001392806516 900726832 /nfs/dbraw/zinc/72/68/32/900726832.db2.gz XUFNZLIHKSTZEK-AAEUAGOBSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001392791145 900727429 /nfs/dbraw/zinc/72/74/29/900727429.db2.gz DKSZUQXWGUGNDH-JQWIXIFHSA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@@H](C(N)=O)N1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001392881673 900748011 /nfs/dbraw/zinc/74/80/11/900748011.db2.gz WNNXXDFZLCTMCF-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1)C(N)=O ZINC001392912717 900758272 /nfs/dbraw/zinc/75/82/72/900758272.db2.gz REFMVXZSODRGIS-SNVBAGLBSA-N 2 0 282.388 -0.417 20 0 CBADRP C[NH+](C)CCC(=O)NC1CN(C(=O)C[NH+]2CCCC2)C1 ZINC001456404213 914474422 /nfs/dbraw/zinc/47/44/22/914474422.db2.gz OUVZDEZORWBVFD-UHFFFAOYSA-N 2 0 282.388 -0.639 20 0 CBADRP CC(C)[C@@H](C(=O)NCC1([NH2+][C@H]2CCNC2=O)CC1)[NH+](C)C ZINC001392909433 900758980 /nfs/dbraw/zinc/75/89/80/900758980.db2.gz RXDCACMLYIIVQC-RYUDHWBXSA-N 2 0 296.415 -0.301 20 0 CBADRP NC(=O)C[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001392914613 900759443 /nfs/dbraw/zinc/75/94/43/900759443.db2.gz ZGSGAUPGWPKYHG-UHFFFAOYSA-N 2 0 280.372 -0.662 20 0 CBADRP NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001392937730 900767087 /nfs/dbraw/zinc/76/70/87/900767087.db2.gz CLAPSHWCMFRXIS-NWDGAFQWSA-N 2 0 294.399 -0.273 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCn3cncn3)CC2)C1 ZINC001392957401 900769628 /nfs/dbraw/zinc/76/96/28/900769628.db2.gz VVCGMLZXUIXVAM-GFCCVEGCSA-N 2 0 292.387 -0.532 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001393055963 900786805 /nfs/dbraw/zinc/78/68/05/900786805.db2.gz QYSYQBWAPAYZGQ-CHWSQXEVSA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001393055970 900788247 /nfs/dbraw/zinc/78/82/47/900788247.db2.gz QYSYQBWAPAYZGQ-QWHCGFSZSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001393164065 900800548 /nfs/dbraw/zinc/80/05/48/900800548.db2.gz PODCRVLOTVXHJJ-DOMZBBRYSA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001393165274 900800573 /nfs/dbraw/zinc/80/05/73/900800573.db2.gz PODCRVLOTVXHJJ-SWLSCSKDSA-N 2 0 296.415 -0.358 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001393380702 900849360 /nfs/dbraw/zinc/84/93/60/900849360.db2.gz FGBOVVWWXPORJH-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CC(N)=O)C2 ZINC001393373517 900850409 /nfs/dbraw/zinc/85/04/09/900850409.db2.gz VVWQQJPMBMJJTG-XQQFMLRXSA-N 2 0 296.415 -0.219 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001393393567 900851682 /nfs/dbraw/zinc/85/16/82/900851682.db2.gz HJHZWNVPWSAUQN-QWHCGFSZSA-N 2 0 298.431 -0.243 20 0 CBADRP COC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001393596083 900884568 /nfs/dbraw/zinc/88/45/68/900884568.db2.gz VRYWXVOJKDFNMU-OLZOCXBDSA-N 2 0 287.404 -0.210 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C)([NH2+]CC(N)=O)CC2)C1 ZINC001393748629 900901793 /nfs/dbraw/zinc/90/17/93/900901793.db2.gz QSEJZFUQYJZVLA-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001393798660 900909114 /nfs/dbraw/zinc/90/91/14/900909114.db2.gz UUEUGJZLPJVGIY-AAEUAGOBSA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001393826548 900913032 /nfs/dbraw/zinc/91/30/32/900913032.db2.gz BNALRQDHZVUMHF-WFASDCNBSA-N 2 0 296.415 -0.297 20 0 CBADRP CCC[N@H+](C)CC(=O)NC1(CO)CC[NH+](CCO)CC1 ZINC001393854816 900914622 /nfs/dbraw/zinc/91/46/22/900914622.db2.gz RQGGHBPVVXKKHK-UHFFFAOYSA-N 2 0 287.404 -0.736 20 0 CBADRP CN(CC(N)=O)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001393883505 900923107 /nfs/dbraw/zinc/92/31/07/900923107.db2.gz KNZLZXDAQROWQE-VXGBXAGGSA-N 2 0 282.388 -0.654 20 0 CBADRP C[C@@H]([NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001393904926 900930294 /nfs/dbraw/zinc/93/02/94/900930294.db2.gz JHNAMUDOUQVIEZ-KPPDAEKUSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)[C@@H]1CCCNC1=O ZINC001394139339 900984724 /nfs/dbraw/zinc/98/47/24/900984724.db2.gz WCKBKDCCNLVDPB-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC([N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001394392585 901023540 /nfs/dbraw/zinc/02/35/40/901023540.db2.gz RWZLLKYBSMBKCO-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001394438384 901027785 /nfs/dbraw/zinc/02/77/85/901027785.db2.gz DXEFGRWFAFTLCO-WCQYABFASA-N 2 0 298.431 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001394536832 901046359 /nfs/dbraw/zinc/04/63/59/901046359.db2.gz FMPJNOFHUAXSMU-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001394563801 901053522 /nfs/dbraw/zinc/05/35/22/901053522.db2.gz CAVLPHHBBOBHOY-NEPJUHHUSA-N 2 0 284.404 -0.348 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]C/C=C/Cl ZINC001394584278 901072610 /nfs/dbraw/zinc/07/26/10/901072610.db2.gz WVYUVVMJDWUDSY-UQRCUPDISA-N 2 0 275.780 -0.100 20 0 CBADRP O=C(NC[C@@H](CO)[NH2+]CCF)[C@H]1C[NH+]2CCC1CC2 ZINC001394587171 901075597 /nfs/dbraw/zinc/07/55/97/901075597.db2.gz OFOBKKHJDAZXBI-RYUDHWBXSA-N 2 0 273.352 -0.636 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)c1)[NH+](C)C ZINC001394619370 901094643 /nfs/dbraw/zinc/09/46/43/901094643.db2.gz OHRFUDVFYVQTND-QWHCGFSZSA-N 2 0 297.403 -0.673 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC001394663066 901111657 /nfs/dbraw/zinc/11/16/57/901111657.db2.gz KNVDJWASPFYTAJ-YPMHNXCESA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC001394663048 901111678 /nfs/dbraw/zinc/11/16/78/901111678.db2.gz KNVDJWASPFYTAJ-DGCLKSJQSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001397134413 901367032 /nfs/dbraw/zinc/36/70/32/901367032.db2.gz KTVQUFVPKNRBDV-SRVKXCTJSA-N 2 0 284.404 -0.443 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001397629321 901443015 /nfs/dbraw/zinc/44/30/15/901443015.db2.gz PVLJKOZFRGGQKT-MJBXVCDLSA-N 2 0 299.415 -0.426 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001397671435 901445255 /nfs/dbraw/zinc/44/52/55/901445255.db2.gz HKTJCPBJVULSNM-JOCQHMNTSA-N 2 0 294.403 -0.286 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001397763505 901450789 /nfs/dbraw/zinc/45/07/89/901450789.db2.gz FNXFTWGJUZQDQQ-OLZOCXBDSA-N 2 0 296.415 -0.536 20 0 CBADRP CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001397925005 901478400 /nfs/dbraw/zinc/47/84/00/901478400.db2.gz AHYHKHXEKUTBEA-STQMWFEESA-N 2 0 296.415 -0.536 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001398389255 901535014 /nfs/dbraw/zinc/53/50/14/901535014.db2.gz AIFFKRGSMOLIJB-OLZOCXBDSA-N 2 0 296.415 -0.171 20 0 CBADRP O=C(C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)NC1CC1 ZINC001398537906 901552473 /nfs/dbraw/zinc/55/24/73/901552473.db2.gz SZXAKZRHAUACGG-ZDUSSCGKSA-N 2 0 294.399 -0.449 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001398551545 901557831 /nfs/dbraw/zinc/55/78/31/901557831.db2.gz DQTXIFMSVUHXCP-XUXIUFHCSA-N 2 0 299.415 -0.428 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001398554309 901559223 /nfs/dbraw/zinc/55/92/23/901559223.db2.gz FQUYMVUADFILTQ-IJLUTSLNSA-N 2 0 282.388 -0.689 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001398562203 901561154 /nfs/dbraw/zinc/56/11/54/901561154.db2.gz GSGDEZWCPHWDKL-IJLUTSLNSA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001398584185 901568203 /nfs/dbraw/zinc/56/82/03/901568203.db2.gz UYTHKSSCBWIIJD-JOCQHMNTSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NCC1CC1 ZINC001398889652 901622385 /nfs/dbraw/zinc/62/23/85/901622385.db2.gz SVMUYVTVKNPBIS-AAEUAGOBSA-N 2 0 296.415 -0.299 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001399051170 901657644 /nfs/dbraw/zinc/65/76/44/901657644.db2.gz YWTJKMRFCXGVHG-AAEUAGOBSA-N 2 0 287.404 -0.570 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](C)[NH2+]CCn1cncn1)[NH+](C)C ZINC001399096253 901662392 /nfs/dbraw/zinc/66/23/92/901662392.db2.gz BKSWAEXTJVIWPC-RYUDHWBXSA-N 2 0 282.392 -0.287 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CCn1cncn1)[NH+](C)C ZINC001399096247 901662987 /nfs/dbraw/zinc/66/29/87/901662987.db2.gz BKSWAEXTJVIWPC-NEPJUHHUSA-N 2 0 282.392 -0.287 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001399098406 901666609 /nfs/dbraw/zinc/66/66/09/901666609.db2.gz LMAVJRRSWUPUNN-YPMHNXCESA-N 2 0 286.420 -0.197 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001399110670 901667783 /nfs/dbraw/zinc/66/77/83/901667783.db2.gz RSZIKXQVLNKRDK-DGCLKSJQSA-N 2 0 296.419 -0.004 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCN1CCCC1=O ZINC001399112896 901669060 /nfs/dbraw/zinc/66/90/60/901669060.db2.gz LYOFWUDNFINIAV-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001399170005 901677341 /nfs/dbraw/zinc/67/73/41/901677341.db2.gz GGORRDXTKKCFCY-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+][C@@H]1CCNC1=O ZINC001399163833 901677698 /nfs/dbraw/zinc/67/76/98/901677698.db2.gz OFGVHSQLAPRDSZ-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[N@H+](CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001399177011 901680787 /nfs/dbraw/zinc/68/07/87/901680787.db2.gz AFAPOXLIUPDEAG-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001399303829 901694258 /nfs/dbraw/zinc/69/42/58/901694258.db2.gz CVMSKRPUBOHKEG-AAEUAGOBSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ncnn1C ZINC001399313194 901697249 /nfs/dbraw/zinc/69/72/49/901697249.db2.gz GGGTZYFAJBJZSB-RYUDHWBXSA-N 2 0 294.403 -0.106 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC(N)=O ZINC001399338548 901703492 /nfs/dbraw/zinc/70/34/92/901703492.db2.gz GTJYYMYQIOLGDJ-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001399486720 901734457 /nfs/dbraw/zinc/73/44/57/901734457.db2.gz QIZOFGIAZSNIDD-FRRDWIJNSA-N 2 0 287.404 -0.618 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001399860276 901820749 /nfs/dbraw/zinc/82/07/49/901820749.db2.gz BLZBYWZDZWEOAS-HZSPNIEDSA-N 2 0 299.415 -0.332 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001399936685 901839158 /nfs/dbraw/zinc/83/91/58/901839158.db2.gz XXIWSSPSIJZTRQ-ZDUSSCGKSA-N 2 0 296.415 -0.392 20 0 CBADRP CC[NH+](CC)CC(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001399971391 901847589 /nfs/dbraw/zinc/84/75/89/901847589.db2.gz GZJLYMSALMGLMZ-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP COC[C@@H](O)C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001400011569 901854268 /nfs/dbraw/zinc/85/42/68/901854268.db2.gz GBXLZFPAXNNBGK-UONOGXRCSA-N 2 0 299.415 -0.332 20 0 CBADRP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001400051133 901864214 /nfs/dbraw/zinc/86/42/14/901864214.db2.gz JDKSZPPDCOSSNC-LBPRGKRZSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001400064816 901871934 /nfs/dbraw/zinc/87/19/34/901871934.db2.gz DOGSFOOXEBRMQP-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001400071238 901874407 /nfs/dbraw/zinc/87/44/07/901874407.db2.gz GDDATNVFWJOKLV-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)C[NH+]1CCCC1 ZINC001400205258 901896735 /nfs/dbraw/zinc/89/67/35/901896735.db2.gz FOLJBBOJMZUKFY-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001400227073 901901604 /nfs/dbraw/zinc/90/16/04/901901604.db2.gz PSEHCUXDEBTQFG-VXGBXAGGSA-N 2 0 284.404 -0.408 20 0 CBADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001400594440 901975172 /nfs/dbraw/zinc/97/51/72/901975172.db2.gz VTEMQMXBHGENPT-RFGFWPKPSA-N 2 0 297.399 -0.770 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001400602901 901977998 /nfs/dbraw/zinc/97/79/98/901977998.db2.gz DVLRSURKGRJMRR-AVGNSLFASA-N 2 0 285.388 -0.722 20 0 CBADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001400760220 902008379 /nfs/dbraw/zinc/00/83/79/902008379.db2.gz YELSTNKPPZTPLS-LBPRGKRZSA-N 2 0 296.415 -0.441 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001400739472 902009634 /nfs/dbraw/zinc/00/96/34/902009634.db2.gz NUDLYJCWJRXJRV-KBPBESRZSA-N 2 0 299.415 -0.378 20 0 CBADRP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H]1CCNC1=O ZINC001400841164 902026987 /nfs/dbraw/zinc/02/69/87/902026987.db2.gz BKEKMVSBUURXMD-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001401117079 902057521 /nfs/dbraw/zinc/05/75/21/902057521.db2.gz OOBOGFRENFUNTA-AAEUAGOBSA-N 2 0 286.420 -0.340 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@H]1CCCNC1=O ZINC001401128174 902060936 /nfs/dbraw/zinc/06/09/36/902060936.db2.gz OPEYTBUUZORKMP-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]CC(=O)N(C)C ZINC001401130960 902061013 /nfs/dbraw/zinc/06/10/13/902061013.db2.gz TWAGTNUFPIUVHB-LBPRGKRZSA-N 2 0 298.431 -0.242 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001401132352 902061880 /nfs/dbraw/zinc/06/18/80/902061880.db2.gz BHRVSINIODZDRJ-GFCCVEGCSA-N 2 0 296.415 -0.440 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)N(C)C(=O)C[NH+]1CCCC1 ZINC001401255585 902095255 /nfs/dbraw/zinc/09/52/55/902095255.db2.gz HKOHUXNHBHKBOL-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001401260106 902095300 /nfs/dbraw/zinc/09/53/00/902095300.db2.gz WWZAECGZTTVSAT-MNOVXSKESA-N 2 0 282.388 -0.608 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001401265031 902096140 /nfs/dbraw/zinc/09/61/40/902096140.db2.gz YDQMNMPQDMEENQ-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001401357596 902108995 /nfs/dbraw/zinc/10/89/95/902108995.db2.gz GLJMCOYQBUPXOW-STQMWFEESA-N 2 0 287.404 -0.522 20 0 CBADRP C[C@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001401591225 902178153 /nfs/dbraw/zinc/17/81/53/902178153.db2.gz NONXZXVAZYKAIA-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP O=C(NC[C@@H](O)C[NH2+]CC1CCC1)C12CC[NH+](CC1)C2 ZINC001401590705 902178765 /nfs/dbraw/zinc/17/87/65/902178765.db2.gz WFDZWQHCIILWMC-ZDUSSCGKSA-N 2 0 281.400 -0.051 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001401594900 902182284 /nfs/dbraw/zinc/18/22/84/902182284.db2.gz BXWIOLHZFAPSIR-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)CC[NH2+][C@@H](C)C(N)=O ZINC001401605486 902185091 /nfs/dbraw/zinc/18/50/91/902185091.db2.gz PSVNRCMXERXYHR-MNOVXSKESA-N 2 0 272.393 -0.315 20 0 CBADRP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001401607728 902185867 /nfs/dbraw/zinc/18/58/67/902185867.db2.gz HCIPOWZRGMTKNO-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001401609655 902188199 /nfs/dbraw/zinc/18/81/99/902188199.db2.gz LFJANGKTVMSJKN-VXGBXAGGSA-N 2 0 284.404 -0.314 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001401654374 902209924 /nfs/dbraw/zinc/20/99/24/902209924.db2.gz UHBUZSOSVHJAAF-LLVKDONJSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001401677206 902220910 /nfs/dbraw/zinc/22/09/10/902220910.db2.gz YCAKNXVZJKVXBR-WCQYABFASA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)C(N)=O)[NH+](C)C ZINC001401678359 902222893 /nfs/dbraw/zinc/22/28/93/902222893.db2.gz BIJWWOTYFVBIMW-GMTAPVOTSA-N 2 0 272.393 -0.459 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001401685268 902231919 /nfs/dbraw/zinc/23/19/19/902231919.db2.gz KIWMRNIHKVXEGT-RYUDHWBXSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)CC[NH+](C)C ZINC001401700971 902236733 /nfs/dbraw/zinc/23/67/33/902236733.db2.gz USXHPMVVGNVXKD-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001401724210 902242823 /nfs/dbraw/zinc/24/28/23/902242823.db2.gz XPHCVWHTNALKHH-STQMWFEESA-N 2 0 298.431 -0.101 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001401856546 902288829 /nfs/dbraw/zinc/28/88/29/902288829.db2.gz XYYCIOKZHKQFBU-MELADBBJSA-N 2 0 299.415 -0.428 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001401877476 902296397 /nfs/dbraw/zinc/29/63/97/902296397.db2.gz SFZNQVQHSOFYTH-PWSUYJOCSA-N 2 0 284.404 -0.443 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001401877460 902297810 /nfs/dbraw/zinc/29/78/10/902297810.db2.gz SFZNQVQHSOFYTH-CMPLNLGQSA-N 2 0 284.404 -0.443 20 0 CBADRP CC(C)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001401939915 902318005 /nfs/dbraw/zinc/31/80/05/902318005.db2.gz MBNIWORRZUHEQP-LBPRGKRZSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(=O)NC)CC2)CC[N@@H+]1C ZINC001401947415 902323888 /nfs/dbraw/zinc/32/38/88/902323888.db2.gz KMUJAZKPBSKEHL-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001402195064 902379789 /nfs/dbraw/zinc/37/97/89/902379789.db2.gz JXDNWARCZOXLMS-HIFRSBDPSA-N 2 0 298.431 -0.114 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@]1(O)CC[NH+](C[C@H](C)O)C1 ZINC001402285826 902408244 /nfs/dbraw/zinc/40/82/44/902408244.db2.gz HYVCDHIYMKJJHH-GXTWGEPZSA-N 2 0 287.404 -0.738 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+](C[C@H](C)O)C1 ZINC001402285829 902408285 /nfs/dbraw/zinc/40/82/85/902408285.db2.gz HYVCDHIYMKJJHH-JSGCOSHPSA-N 2 0 287.404 -0.738 20 0 CBADRP CN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001402445638 902451919 /nfs/dbraw/zinc/45/19/19/902451919.db2.gz RLUNLGDCSHUZAF-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001402506418 902466387 /nfs/dbraw/zinc/46/63/87/902466387.db2.gz IOXNVGDAZMHSSC-GMTAPVOTSA-N 2 0 270.377 -0.691 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001402506589 902466662 /nfs/dbraw/zinc/46/66/62/902466662.db2.gz JQKCENZNNHYVNO-HAQNSBGRSA-N 2 0 284.404 -0.301 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001402514980 902469443 /nfs/dbraw/zinc/46/94/43/902469443.db2.gz JJROFXPLUNOACY-JHJVBQTASA-N 2 0 296.415 -0.299 20 0 CBADRP C[N@H+](CC(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001402530451 902472126 /nfs/dbraw/zinc/47/21/26/902472126.db2.gz YKNPOQHULGVVHR-CYBMUJFWSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001402528177 902472298 /nfs/dbraw/zinc/47/22/98/902472298.db2.gz HZSQQSCZHGAWOA-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)[NH+](C)C ZINC001402520709 902472844 /nfs/dbraw/zinc/47/28/44/902472844.db2.gz ZECGBALSDYCXOC-JHJVBQTASA-N 2 0 294.403 -0.145 20 0 CBADRP NC(=O)C[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CCC1 ZINC001402581417 902483706 /nfs/dbraw/zinc/48/37/06/902483706.db2.gz UDFNRGISZNMADK-UHFFFAOYSA-N 2 0 296.415 -0.024 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001402605981 902491335 /nfs/dbraw/zinc/49/13/35/902491335.db2.gz DKLIOBWOADPCSV-NNYUYHANSA-N 2 0 282.388 -0.548 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001402605746 902491470 /nfs/dbraw/zinc/49/14/70/902491470.db2.gz LIFGBAARVDOOHS-SDDRHHMPSA-N 2 0 282.388 -0.689 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1)C(N)=O ZINC001402635148 902494034 /nfs/dbraw/zinc/49/40/34/902494034.db2.gz UCXUJWTZTUTZPV-USZNOCQGSA-N 2 0 284.404 -0.173 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1)C(N)=O ZINC001402642233 902497493 /nfs/dbraw/zinc/49/74/93/902497493.db2.gz FDVWLCBJJOPDON-RWMBFGLXSA-N 2 0 296.415 -0.027 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NC)C1 ZINC001402787924 902518038 /nfs/dbraw/zinc/51/80/38/902518038.db2.gz NWWFMPICECMMKC-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001402821672 902527906 /nfs/dbraw/zinc/52/79/06/902527906.db2.gz BGDFLOXXJZZQCO-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001402821666 902528381 /nfs/dbraw/zinc/52/83/81/902528381.db2.gz BGDFLOXXJZZQCO-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)C(=O)NC)[NH+](C)C ZINC001402841690 902534553 /nfs/dbraw/zinc/53/45/53/902534553.db2.gz RMFDJBLWAQXRDQ-TUAOUCFPSA-N 2 0 286.420 -0.055 20 0 CBADRP CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001402953240 902571306 /nfs/dbraw/zinc/57/13/06/902571306.db2.gz SWDMMCPYDYCCRD-BPCQOVAHSA-N 2 0 298.431 -0.053 20 0 CBADRP Cc1cncn1CC(=O)NC[C@@H](C)[NH2+]CCn1cncn1 ZINC001402956222 902571328 /nfs/dbraw/zinc/57/13/28/902571328.db2.gz VBOGGJLTOQJGIY-LLVKDONJSA-N 2 0 291.359 -0.422 20 0 CBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403029752 902593451 /nfs/dbraw/zinc/59/34/51/902593451.db2.gz BUGMNQVRBACPCR-NXEZZACHSA-N 2 0 298.391 -0.957 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@@H]1CCCNC1=O ZINC001403075473 902607675 /nfs/dbraw/zinc/60/76/75/902607675.db2.gz KPAQRVQETLENFL-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)N1CCC1 ZINC001403080192 902608449 /nfs/dbraw/zinc/60/84/49/902608449.db2.gz IBEQYTQLHBJMIP-LBPRGKRZSA-N 2 0 294.399 -0.591 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001403085049 902611433 /nfs/dbraw/zinc/61/14/33/902611433.db2.gz NFZBNKMEGAKHOD-RYUDHWBXSA-N 2 0 285.388 -0.816 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001403149936 902630279 /nfs/dbraw/zinc/63/02/79/902630279.db2.gz ZENRVVKEAIIXJI-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001403149941 902630690 /nfs/dbraw/zinc/63/06/90/902630690.db2.gz ZENRVVKEAIIXJI-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP COC[C@@H](O)C[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001403182389 902638319 /nfs/dbraw/zinc/63/83/19/902638319.db2.gz LJVYHACRPJJPLZ-STQMWFEESA-N 2 0 299.415 -0.474 20 0 CBADRP CC(C)NC(=O)CN(C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001403209794 902648520 /nfs/dbraw/zinc/64/85/20/902648520.db2.gz ZOGNCMGPWNOVNI-OLZOCXBDSA-N 2 0 298.431 -0.101 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001403213682 902650746 /nfs/dbraw/zinc/65/07/46/902650746.db2.gz RMOAPODHEGMDSO-NSHDSACASA-N 2 0 291.417 -0.827 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001403215711 902650934 /nfs/dbraw/zinc/65/09/34/902650934.db2.gz YKUSKMWBOYDLBN-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001403241071 902660213 /nfs/dbraw/zinc/66/02/13/902660213.db2.gz CEJCEUFXYFSPIT-OLZOCXBDSA-N 2 0 281.400 -0.099 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C1 ZINC001403404539 902685348 /nfs/dbraw/zinc/68/53/48/902685348.db2.gz FKOFIUSRGWJTCS-JHJVBQTASA-N 2 0 296.415 -0.360 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001403436657 902690398 /nfs/dbraw/zinc/69/03/98/902690398.db2.gz RNZGTALZWLYPRE-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001403442489 902692215 /nfs/dbraw/zinc/69/22/15/902692215.db2.gz IJIWHOQBSWGWOT-IJLUTSLNSA-N 2 0 282.388 -0.689 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001403458260 902695558 /nfs/dbraw/zinc/69/55/58/902695558.db2.gz FBVDNRWEPVHOEP-AVGNSLFASA-N 2 0 296.415 -0.299 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001403465561 902695970 /nfs/dbraw/zinc/69/59/70/902695970.db2.gz JJCOGTHLFGUANK-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001403593148 902743322 /nfs/dbraw/zinc/74/33/22/902743322.db2.gz DGACPEILLHNRPX-WDEREUQCSA-N 2 0 272.393 -0.362 20 0 CBADRP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC(N)=O ZINC001403594723 902743440 /nfs/dbraw/zinc/74/34/40/902743440.db2.gz JBQKNYCPUDEEMR-WOPDTQHZSA-N 2 0 284.404 -0.362 20 0 CBADRP CC[C@@H](F)C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001403729919 902829534 /nfs/dbraw/zinc/82/95/34/902829534.db2.gz QBEROKVEGJJMTE-VXGBXAGGSA-N 2 0 287.379 -0.103 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001403750464 902835323 /nfs/dbraw/zinc/83/53/23/902835323.db2.gz RQGSBCZFEFWKTQ-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001403764778 902842286 /nfs/dbraw/zinc/84/22/86/902842286.db2.gz YOPNCCOJMUAPIV-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001403766845 902843817 /nfs/dbraw/zinc/84/38/17/902843817.db2.gz KEWWCQKMKPQFSI-VXGBXAGGSA-N 2 0 294.399 -0.593 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001403891448 902897571 /nfs/dbraw/zinc/89/75/71/902897571.db2.gz CUQILFBMXAETKH-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[NH+](CCNC(=O)CC[N@@H+](C)CC)[C@H]1CCN(C)C1=O ZINC001403927175 902907996 /nfs/dbraw/zinc/90/79/96/902907996.db2.gz NGRIFAQQPLUKCB-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CCN(CCNC(=O)C[NH+]1CCCC1)[C@@H](C)C(=O)NC ZINC001403939997 902912619 /nfs/dbraw/zinc/91/26/19/902912619.db2.gz MVWCCGKXUPFQSQ-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H](C)C(N)=O ZINC001403940626 902913250 /nfs/dbraw/zinc/91/32/50/902913250.db2.gz PUFMXYIGQSOZRI-GHMZBOCLSA-N 2 0 270.377 -0.750 20 0 CBADRP CC[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)C(N)=O ZINC001404309804 902969015 /nfs/dbraw/zinc/96/90/15/902969015.db2.gz FDGJUTKEYYCPAA-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)C[NH+]1CCCC1)C(=O)N(C)C ZINC001404329918 902974464 /nfs/dbraw/zinc/97/44/64/902974464.db2.gz PLRMBEZSGIZNML-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP CC[C@@H]([NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(N)=O ZINC001404321810 902974519 /nfs/dbraw/zinc/97/45/19/902974519.db2.gz MAYGWJWFYLXIIB-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP COC[C@H](O)C[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001404903323 903049674 /nfs/dbraw/zinc/04/96/74/903049674.db2.gz KFIQZNHGBIVYAR-CYBMUJFWSA-N 2 0 299.415 -0.617 20 0 CBADRP COC[C@H](O)C[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001404917875 903057052 /nfs/dbraw/zinc/05/70/52/903057052.db2.gz DAPCAWXHCFTIIO-TZMCWYRMSA-N 2 0 299.415 -0.617 20 0 CBADRP C[C@H](O)C[NH+]1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001404927035 903057635 /nfs/dbraw/zinc/05/76/35/903057635.db2.gz ZWSZRZLXUNVXPC-LBPRGKRZSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]CC(N)=O ZINC001405244936 903127870 /nfs/dbraw/zinc/12/78/70/903127870.db2.gz AYXYSKGNHMXWEQ-OPRDCNLKSA-N 2 0 279.344 -0.517 20 0 CBADRP CC[C@@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)[NH2+]CCO ZINC001405336371 903147997 /nfs/dbraw/zinc/14/79/97/903147997.db2.gz CNSWUTYHKZETHA-OLZOCXBDSA-N 2 0 287.404 -0.569 20 0 CBADRP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H](CC)C(N)=O ZINC001405333506 903149236 /nfs/dbraw/zinc/14/92/36/903149236.db2.gz JQDAHSSKWWLUII-NEPJUHHUSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]CC(N)=O ZINC001405362303 903154618 /nfs/dbraw/zinc/15/46/18/903154618.db2.gz GFYXYYXTLRKWGE-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001405676266 903199824 /nfs/dbraw/zinc/19/98/24/903199824.db2.gz ZCELQZYXPMYYCO-VXGBXAGGSA-N 2 0 296.419 -0.003 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001405704147 903204300 /nfs/dbraw/zinc/20/43/00/903204300.db2.gz ZKFWPFQNMWHIAJ-RYUDHWBXSA-N 2 0 286.420 -0.243 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+][C@H]1CCNC1=O ZINC001405736077 903212421 /nfs/dbraw/zinc/21/24/21/903212421.db2.gz QACKZSADGAKYIS-RYUDHWBXSA-N 2 0 294.399 -0.687 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O ZINC001405824513 903228351 /nfs/dbraw/zinc/22/83/51/903228351.db2.gz ZCXWPQUDUVZKCG-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1C[N@H+](C[C@@H]2CCOC2)CCO1 ZINC001405876333 903240206 /nfs/dbraw/zinc/24/02/06/903240206.db2.gz NUEKCTNRMSUWKF-KBPBESRZSA-N 2 0 299.415 -0.208 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001405875513 903242448 /nfs/dbraw/zinc/24/24/48/903242448.db2.gz VALHBUKWMGRHKM-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1)C(N)=O ZINC001405884808 903246572 /nfs/dbraw/zinc/24/65/72/903246572.db2.gz HAJIAACVRHWYOL-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)[C@@H](C)C1 ZINC001405956470 903248153 /nfs/dbraw/zinc/24/81/53/903248153.db2.gz BFWFMYBTXPMBMV-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001405955178 903248816 /nfs/dbraw/zinc/24/88/16/903248816.db2.gz QOTZQAYJVMWGGS-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001405955172 903250237 /nfs/dbraw/zinc/25/02/37/903250237.db2.gz QOTZQAYJVMWGGS-GFCCVEGCSA-N 2 0 284.404 -0.312 20 0 CBADRP CC(C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001406042436 903254277 /nfs/dbraw/zinc/25/42/77/903254277.db2.gz PAJFSFBATOOQLD-RYUDHWBXSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(N)=O ZINC001406062122 903258637 /nfs/dbraw/zinc/25/86/37/903258637.db2.gz BWTNRKMFAKPYLJ-LLVKDONJSA-N 2 0 282.388 -0.702 20 0 CBADRP CN(CC[N@H+](C)CCn1cncn1)C(=O)[C@@H]1CCC[NH+]1C ZINC001406081537 903262838 /nfs/dbraw/zinc/26/28/38/903262838.db2.gz SFGCXZHGIWNMTR-ZDUSSCGKSA-N 2 0 294.403 -0.238 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccnn1C)[NH+](C)C ZINC001406257937 903331454 /nfs/dbraw/zinc/33/14/54/903331454.db2.gz HELRFKNQBQZIHO-OLZOCXBDSA-N 2 0 297.403 -0.673 20 0 CBADRP CC(C)[NH2+]C[C@@H](O)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001406272503 903340443 /nfs/dbraw/zinc/34/04/43/903340443.db2.gz BEUJFPQGFCQQEW-CYBMUJFWSA-N 2 0 297.403 -0.467 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001406320356 903355213 /nfs/dbraw/zinc/35/52/13/903355213.db2.gz GMGUCKAUDXCYKL-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001406318508 903355436 /nfs/dbraw/zinc/35/54/36/903355436.db2.gz MFVFQZXMMXNOIV-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001406320365 903355559 /nfs/dbraw/zinc/35/55/59/903355559.db2.gz GMGUCKAUDXCYKL-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001406321429 903356245 /nfs/dbraw/zinc/35/62/45/903356245.db2.gz DXGYYYPRFBCQLQ-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001406371471 903376931 /nfs/dbraw/zinc/37/69/31/903376931.db2.gz XLZLGKFVXVJOJN-UTUOFQBUSA-N 2 0 284.404 -0.445 20 0 CBADRP CCn1nncc1C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001406406262 903389189 /nfs/dbraw/zinc/38/91/89/903389189.db2.gz OEFAHCLBQLMJLQ-LLVKDONJSA-N 2 0 282.392 -0.156 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001406400770 903392572 /nfs/dbraw/zinc/39/25/72/903392572.db2.gz DPQKWTTWYDBUSY-MXWKQRLJSA-N 2 0 270.377 -0.691 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001406412071 903394753 /nfs/dbraw/zinc/39/47/53/903394753.db2.gz RYRICKGOYRSYJX-MNOVXSKESA-N 2 0 280.372 -0.935 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001406524271 903422526 /nfs/dbraw/zinc/42/25/26/903422526.db2.gz WHLYIIONCYMPJG-NWDGAFQWSA-N 2 0 298.431 -0.101 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001406516858 903422920 /nfs/dbraw/zinc/42/29/20/903422920.db2.gz LOTOSFVYLWQXHR-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)CC1CC[NH+](C)CC1 ZINC001406531818 903425747 /nfs/dbraw/zinc/42/57/47/903425747.db2.gz JILQQOCLZWOVIT-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001406561431 903433547 /nfs/dbraw/zinc/43/35/47/903433547.db2.gz NUQGRMVJVKTHFN-WDEREUQCSA-N 2 0 270.377 -0.691 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001406781880 903479637 /nfs/dbraw/zinc/47/96/37/903479637.db2.gz ZMBVPZOTMYSPRF-QWHCGFSZSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@@H]([NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CC1)C(N)=O ZINC001406933606 903514652 /nfs/dbraw/zinc/51/46/52/903514652.db2.gz BBRJFPNMDVEKCX-GHMZBOCLSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1)C(N)=O ZINC001406957668 903516266 /nfs/dbraw/zinc/51/62/66/903516266.db2.gz KZVFGDQCDMRJCZ-MNOVXSKESA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001406960869 903519016 /nfs/dbraw/zinc/51/90/16/903519016.db2.gz QTXJIUXQZFKOOP-NEPJUHHUSA-N 2 0 294.399 -0.545 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001407860354 903668485 /nfs/dbraw/zinc/66/84/85/903668485.db2.gz OYXPFGWAUJNAEY-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CNC(=O)[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001407883415 903675601 /nfs/dbraw/zinc/67/56/01/903675601.db2.gz YJPLCEHCZNXQBD-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CN(CCC[N@H+](C)[C@@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001407927093 903680654 /nfs/dbraw/zinc/68/06/54/903680654.db2.gz QKWHOXSLBVGMCE-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001407934222 903682159 /nfs/dbraw/zinc/68/21/59/903682159.db2.gz ZXNPRNXDTIHLKY-LBPRGKRZSA-N 2 0 298.431 -0.018 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001408003280 903692789 /nfs/dbraw/zinc/69/27/89/903692789.db2.gz BYGRZQOMPTWEOW-JSGCOSHPSA-N 2 0 285.388 -0.984 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001408100801 903712714 /nfs/dbraw/zinc/71/27/14/903712714.db2.gz OFPAUNNIUQXMME-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001408213049 903731439 /nfs/dbraw/zinc/73/14/39/903731439.db2.gz RTGASCTYCBETHK-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCCNC1=O ZINC001408242507 903735917 /nfs/dbraw/zinc/73/59/17/903735917.db2.gz BOIWKOIUXKJHAG-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001408303418 903749489 /nfs/dbraw/zinc/74/94/89/903749489.db2.gz QVXQHJXXZPZHCH-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409384711 903894156 /nfs/dbraw/zinc/89/41/56/903894156.db2.gz HBEHQBGWHXEQMZ-GHMZBOCLSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001409443633 903902527 /nfs/dbraw/zinc/90/25/27/903902527.db2.gz CIDZESMWXFANJT-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]CC(N)=O ZINC001410424871 904095908 /nfs/dbraw/zinc/09/59/08/904095908.db2.gz YGDBMNQVNKQWBI-LLVKDONJSA-N 2 0 282.388 -0.463 20 0 CBADRP C[NH+](C)CCCC(=O)NC[C@@H]1CCN1C(=O)CC[NH+](C)C ZINC001410617258 904144754 /nfs/dbraw/zinc/14/47/54/904144754.db2.gz FLAXBQZVEMUGPO-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001410618102 904144833 /nfs/dbraw/zinc/14/48/33/904144833.db2.gz GVRCFPINJQMITA-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CO[C@@H](C)C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001410732785 904172894 /nfs/dbraw/zinc/17/28/94/904172894.db2.gz PKNIKISFINTGOL-AAEUAGOBSA-N 2 0 287.404 -0.570 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001410867298 904199225 /nfs/dbraw/zinc/19/92/25/904199225.db2.gz PTEUTXWJFQHRBZ-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001410920370 904203358 /nfs/dbraw/zinc/20/33/58/904203358.db2.gz YIVZFZSCMHTVHB-DOMZBBRYSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C)C1 ZINC001411218532 904261722 /nfs/dbraw/zinc/26/17/22/904261722.db2.gz PYDKQCIJSQNRHT-NWDGAFQWSA-N 2 0 298.431 -0.066 20 0 CBADRP CN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001411246183 904273979 /nfs/dbraw/zinc/27/39/79/904273979.db2.gz MKVSVZLSOHAFGB-UHFFFAOYSA-N 2 0 284.404 -0.395 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cn1ncnn1 ZINC001412537369 904612913 /nfs/dbraw/zinc/61/29/13/904612913.db2.gz ZVESFNWQWBUEPT-UHFFFAOYSA-N 2 0 297.407 -0.595 20 0 CBADRP CC[N@H+](C)[C@H]1CCN(C[C@H](O)C[NH+](C)CCOC)C1 ZINC001460993529 914849308 /nfs/dbraw/zinc/84/93/08/914849308.db2.gz TXQJKEUROUCWTO-UONOGXRCSA-N 2 0 273.421 -0.049 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001507453737 921824457 /nfs/dbraw/zinc/82/44/57/921824457.db2.gz MXSBNULMWGBQMW-GFCCVEGCSA-N 2 0 298.431 -0.101 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001414775401 905514922 /nfs/dbraw/zinc/51/49/22/905514922.db2.gz KVCVHUMIMCIIAE-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CC[C@H](C(=O)NCCN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001415557674 905639317 /nfs/dbraw/zinc/63/93/17/905639317.db2.gz FQOKEBKTIWYGJX-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001416006605 905691919 /nfs/dbraw/zinc/69/19/19/905691919.db2.gz ZJZSUUFYXWLYHU-UHFFFAOYSA-N 2 0 284.404 -0.395 20 0 CBADRP CC[C@@H](C(=O)N1CC(CNC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001416125688 905716076 /nfs/dbraw/zinc/71/60/76/905716076.db2.gz HHVIBXPMYKUHNT-ZDUSSCGKSA-N 2 0 298.431 -0.147 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001416815449 905810490 /nfs/dbraw/zinc/81/04/90/905810490.db2.gz GZELUMCKVNDZHJ-UPJWGTAASA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001417994752 906131616 /nfs/dbraw/zinc/13/16/16/906131616.db2.gz OFIBQPKJKOMPLC-CMPLNLGQSA-N 2 0 284.404 -0.443 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001417994758 906131866 /nfs/dbraw/zinc/13/18/66/906131866.db2.gz OFIBQPKJKOMPLC-ZYHUDNBSSA-N 2 0 284.404 -0.443 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001417994755 906132457 /nfs/dbraw/zinc/13/24/57/906132457.db2.gz OFIBQPKJKOMPLC-PWSUYJOCSA-N 2 0 284.404 -0.443 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)[NH+](C)C ZINC001418066118 906156246 /nfs/dbraw/zinc/15/62/46/906156246.db2.gz ZCECHJDIBDVJQJ-BJDJZHNGSA-N 2 0 282.388 -0.548 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001418076338 906159318 /nfs/dbraw/zinc/15/93/18/906159318.db2.gz MDDYUUBJRHXNMZ-HAQNSBGRSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[N@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(N)=O ZINC001418081247 906163141 /nfs/dbraw/zinc/16/31/41/906163141.db2.gz AFPGNLGIVSIAFO-YHWZYXNKSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1)[NH+](C)C ZINC001418103562 906168780 /nfs/dbraw/zinc/16/87/80/906168780.db2.gz LGRFPGZVZBHIBS-XQQFMLRXSA-N 2 0 296.415 -0.204 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001418112288 906171380 /nfs/dbraw/zinc/17/13/80/906171380.db2.gz FCFXZLKDNPYHTR-FRRDWIJNSA-N 2 0 287.404 -0.429 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001418104729 906173366 /nfs/dbraw/zinc/17/33/66/906173366.db2.gz OUESZTBZPUHZTE-TXEJJXNPSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21)[NH+](C)C ZINC001418179763 906188073 /nfs/dbraw/zinc/18/80/73/906188073.db2.gz BFSQAHIBLCGEFG-QNSTZXKLSA-N 2 0 283.416 0.000 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001418208941 906205435 /nfs/dbraw/zinc/20/54/35/906205435.db2.gz DZPSVUHUSRWVBL-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP CCn1nncc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001418209960 906206183 /nfs/dbraw/zinc/20/61/83/906206183.db2.gz FTBYIQRTZDMSMX-DGCLKSJQSA-N 2 0 294.403 -0.014 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001418232074 906230151 /nfs/dbraw/zinc/23/01/51/906230151.db2.gz BRKQOXIHIZKKHH-QWRGUYRKSA-N 2 0 284.404 -0.301 20 0 CBADRP CC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)CC)[NH+](C)C ZINC001418240221 906232164 /nfs/dbraw/zinc/23/21/64/906232164.db2.gz YFCGFBVMKFCJHI-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)NC1CC1 ZINC001418264419 906249008 /nfs/dbraw/zinc/24/90/08/906249008.db2.gz CIARNDMINUDUJT-JTQLQIEISA-N 2 0 270.377 -0.689 20 0 CBADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001418296911 906271018 /nfs/dbraw/zinc/27/10/18/906271018.db2.gz CHTPHZGXSNRAGC-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001418320721 906280572 /nfs/dbraw/zinc/28/05/72/906280572.db2.gz VXHJQGGGQXAWRQ-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP C[N@H+](CC(=O)N1CC(N2CC[C@@H](O)C2)C1)[C@@H]1CCC[C@H]1O ZINC001418329530 906282527 /nfs/dbraw/zinc/28/25/27/906282527.db2.gz YZDAGTPYZPVKEH-MGPQQGTHSA-N 2 0 297.399 -0.891 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001418336716 906289593 /nfs/dbraw/zinc/28/95/93/906289593.db2.gz VATBNRMMQIINBA-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001418341595 906290746 /nfs/dbraw/zinc/29/07/46/906290746.db2.gz DQICQUREIVXBLN-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001418345799 906292717 /nfs/dbraw/zinc/29/27/17/906292717.db2.gz CWZWEANHMVAXRT-AAEUAGOBSA-N 2 0 284.404 -0.504 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001418351624 906294349 /nfs/dbraw/zinc/29/43/49/906294349.db2.gz WZJNYOJWRVTKPQ-JSGCOSHPSA-N 2 0 298.431 -0.243 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001418418199 906314599 /nfs/dbraw/zinc/31/45/99/906314599.db2.gz ASEXQLJNCYRSFT-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001418427364 906317911 /nfs/dbraw/zinc/31/79/11/906317911.db2.gz BNALRQDHZVUMHF-DOMZBBRYSA-N 2 0 296.415 -0.297 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)CCc1cncn1C ZINC001418433343 906318670 /nfs/dbraw/zinc/31/86/70/906318670.db2.gz XQOYDAJSKFXDRZ-LLVKDONJSA-N 2 0 295.387 -0.417 20 0 CBADRP Cn1nccc1CC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001418519316 906384055 /nfs/dbraw/zinc/38/40/55/906384055.db2.gz JPTKIAJROYUMBT-CYBMUJFWSA-N 2 0 293.415 -0.038 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001418629629 906432898 /nfs/dbraw/zinc/43/28/98/906432898.db2.gz KPAGODZNURUSFH-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)CCC1 ZINC001418659553 906436783 /nfs/dbraw/zinc/43/67/83/906436783.db2.gz OJLFWHPGUQMAKD-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H](C)C(N)=O ZINC001418728025 906457174 /nfs/dbraw/zinc/45/71/74/906457174.db2.gz CKHPTIGQPFPFAV-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001418821633 906488919 /nfs/dbraw/zinc/48/89/19/906488919.db2.gz RRVFYNKIJIUALT-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)CCC[NH+](C)C ZINC001418827130 906489373 /nfs/dbraw/zinc/48/93/73/906489373.db2.gz LHHWCVLZLCWOBL-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001418905460 906510431 /nfs/dbraw/zinc/51/04/31/906510431.db2.gz SCWAUKVVZYRSRT-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H]1CCNC1=O ZINC001419190774 906633996 /nfs/dbraw/zinc/63/39/96/906633996.db2.gz FMFFRXXYBHWZNG-RYUDHWBXSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC(N)=O ZINC001419201674 906637748 /nfs/dbraw/zinc/63/77/48/906637748.db2.gz SRUGXVARPPNKBI-NWDGAFQWSA-N 2 0 282.388 -0.702 20 0 CBADRP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@H]1CCNC1=O ZINC001419214555 906642402 /nfs/dbraw/zinc/64/24/02/906642402.db2.gz DEDBJGBULCUETR-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP O=C(NC[C@H]([NH2+]CCO)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001419249356 906648009 /nfs/dbraw/zinc/64/80/09/906648009.db2.gz ISXBUFCHRYEWAB-KBPBESRZSA-N 2 0 281.400 -0.195 20 0 CBADRP NC(=O)C[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001419251666 906652244 /nfs/dbraw/zinc/65/22/44/906652244.db2.gz JGERCUPWAPNVOE-LBPRGKRZSA-N 2 0 294.399 -0.416 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001419304534 906660071 /nfs/dbraw/zinc/66/00/71/906660071.db2.gz CVPWZGFHKCSUCR-DGCLKSJQSA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C1 ZINC001419403377 906680679 /nfs/dbraw/zinc/68/06/79/906680679.db2.gz LOOQQDAASCOBQG-JHJVBQTASA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001419495857 906703796 /nfs/dbraw/zinc/70/37/96/906703796.db2.gz GLNMUFOXOWARPO-BETUJISGSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001419522922 906713723 /nfs/dbraw/zinc/71/37/23/906713723.db2.gz TZVPOBCFIJWFKE-LLVKDONJSA-N 2 0 284.404 -0.584 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001419546672 906715502 /nfs/dbraw/zinc/71/55/02/906715502.db2.gz QZAUTPLXEYXCOG-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001419572561 906731977 /nfs/dbraw/zinc/73/19/77/906731977.db2.gz SNWMYWNAQMHBLE-OLZOCXBDSA-N 2 0 296.415 -0.358 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001419673801 906758746 /nfs/dbraw/zinc/75/87/46/906758746.db2.gz LMUKLESBVFJOSH-SDDRHHMPSA-N 2 0 284.404 -0.362 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001419673797 906761430 /nfs/dbraw/zinc/76/14/30/906761430.db2.gz LMUKLESBVFJOSH-GRYCIOLGSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)N(C)C(=O)C[NH+]1CCCC1 ZINC001419748622 906802144 /nfs/dbraw/zinc/80/21/44/906802144.db2.gz QSLRMBNMAXBVBG-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001419749327 906802922 /nfs/dbraw/zinc/80/29/22/906802922.db2.gz RVKCKJXEQIWBMM-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001419780133 906810540 /nfs/dbraw/zinc/81/05/40/906810540.db2.gz YMLBOUDZXGPEHC-GHMZBOCLSA-N 2 0 272.393 -0.443 20 0 CBADRP CC[C@H]([NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001419843879 906831343 /nfs/dbraw/zinc/83/13/43/906831343.db2.gz UYFBDXJINIIUAT-MNOVXSKESA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001419902635 906850003 /nfs/dbraw/zinc/85/00/03/906850003.db2.gz ONHURLQBDFNSMP-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC1CC1)[NH+](C)C ZINC001419894314 906850845 /nfs/dbraw/zinc/85/08/45/906850845.db2.gz HZMYELSQMAULSU-PWSUYJOCSA-N 2 0 284.404 -0.301 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001419909085 906855497 /nfs/dbraw/zinc/85/54/97/906855497.db2.gz QHBPOLNDWQMNTI-STQMWFEESA-N 2 0 298.431 -0.195 20 0 CBADRP CC(C)[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC(N)=O ZINC001419926944 906857393 /nfs/dbraw/zinc/85/73/93/906857393.db2.gz ZINAKENVDTZFQX-ZDUSSCGKSA-N 2 0 298.431 -0.066 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NC ZINC001419928681 906859186 /nfs/dbraw/zinc/85/91/86/906859186.db2.gz AGAXGJBNXYMRFV-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001420013633 906901212 /nfs/dbraw/zinc/90/12/12/906901212.db2.gz XJYQPPAZZHPVNI-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001420013629 906902426 /nfs/dbraw/zinc/90/24/26/906902426.db2.gz XJYQPPAZZHPVNI-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H]1CCNC1=O ZINC001420116195 906954127 /nfs/dbraw/zinc/95/41/27/906954127.db2.gz XTGGAOCZBPZSRT-NEPJUHHUSA-N 2 0 296.415 -0.156 20 0 CBADRP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)on1 ZINC001420151214 906969324 /nfs/dbraw/zinc/96/93/24/906969324.db2.gz WBYPLUHFDXFIHW-NSHDSACASA-N 2 0 284.360 -0.499 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)C1 ZINC001420145430 906972551 /nfs/dbraw/zinc/97/25/51/906972551.db2.gz KHQJERIHPMVDPG-CYBMUJFWSA-N 2 0 296.415 -0.931 20 0 CBADRP C[C@@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC(N)=O ZINC001420163306 906980026 /nfs/dbraw/zinc/98/00/26/906980026.db2.gz VLEPIXMXWFTZBX-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001420164963 906981200 /nfs/dbraw/zinc/98/12/00/906981200.db2.gz SDDCBJFAKWOIPM-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001420169111 906985119 /nfs/dbraw/zinc/98/51/19/906985119.db2.gz JCUUBTVSBBVFIU-QWHCGFSZSA-N 2 0 295.387 -0.919 20 0 CBADRP C[C@@H]([NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001420219338 907029167 /nfs/dbraw/zinc/02/91/67/907029167.db2.gz DLPWFGYMASLYKQ-NWDGAFQWSA-N 2 0 296.415 -0.027 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+][C@@H]1CCNC1=O ZINC001420246400 907044659 /nfs/dbraw/zinc/04/46/59/907044659.db2.gz OUSIXFAJKHNCQX-VXGBXAGGSA-N 2 0 284.404 -0.301 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001420247313 907045938 /nfs/dbraw/zinc/04/59/38/907045938.db2.gz DPHJQUZPMFWUPJ-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[NH2+]C[C@@H](O)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001420268448 907052756 /nfs/dbraw/zinc/05/27/56/907052756.db2.gz OUDCVZOITPDDAK-GFCCVEGCSA-N 2 0 289.339 -0.033 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001420304602 907082201 /nfs/dbraw/zinc/08/22/01/907082201.db2.gz AIHQKFJYBBKTSW-IJLUTSLNSA-N 2 0 286.420 -0.102 20 0 CBADRP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420335055 907109139 /nfs/dbraw/zinc/10/91/39/907109139.db2.gz QYMPZBGWMOPURZ-LLVKDONJSA-N 2 0 294.403 -0.249 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001420336423 907110445 /nfs/dbraw/zinc/11/04/45/907110445.db2.gz AGCXQFORHQNIIU-UPJWGTAASA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001420370128 907123196 /nfs/dbraw/zinc/12/31/96/907123196.db2.gz DVGKYWBRJBWPME-VXGBXAGGSA-N 2 0 294.399 -0.545 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001420461445 907173333 /nfs/dbraw/zinc/17/33/33/907173333.db2.gz DJAYAMWDTUVWNI-NWDGAFQWSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](C[N@H+](C)CCn1cncn1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001420539504 907201754 /nfs/dbraw/zinc/20/17/54/907201754.db2.gz NCIKCDUYKSJMFM-STQMWFEESA-N 2 0 294.403 -0.191 20 0 CBADRP C[C@H](C[N@H+](C)CCn1cncn1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001420539492 907203196 /nfs/dbraw/zinc/20/31/96/907203196.db2.gz NCIKCDUYKSJMFM-OLZOCXBDSA-N 2 0 294.403 -0.191 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@H](C)C(=O)NC)C1 ZINC001420555105 907209881 /nfs/dbraw/zinc/20/98/81/907209881.db2.gz WZIJROOTFOADQD-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001420562936 907218717 /nfs/dbraw/zinc/21/87/17/907218717.db2.gz IRBIRLXZIALESI-OLZOCXBDSA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001420726571 907286573 /nfs/dbraw/zinc/28/65/73/907286573.db2.gz MLOBPLYJFVNAPG-SNVBAGLBSA-N 2 0 270.377 -0.750 20 0 CBADRP CN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)C[NH+]1CCCC1 ZINC001420741611 907289299 /nfs/dbraw/zinc/28/92/99/907289299.db2.gz IWZWRWKDBSPXSX-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CC(=O)N1CCC1)C1CC1 ZINC001420765672 907298131 /nfs/dbraw/zinc/29/81/31/907298131.db2.gz ZWAMCUKUZXSAPO-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001420788379 907299852 /nfs/dbraw/zinc/29/98/52/907299852.db2.gz CMPRXCBVWLHSMB-AAEUAGOBSA-N 2 0 284.404 -0.458 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001420882645 907338030 /nfs/dbraw/zinc/33/80/30/907338030.db2.gz BZCKRIAQQIDTPA-OLZOCXBDSA-N 2 0 296.415 -0.358 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001421003357 907385731 /nfs/dbraw/zinc/38/57/31/907385731.db2.gz CDKLQQTYFFIIHY-GFCCVEGCSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+][C@H](C)C(N)=O)CC1 ZINC001421007162 907391422 /nfs/dbraw/zinc/39/14/22/907391422.db2.gz VUHYMZYCWNNJKP-VXGBXAGGSA-N 2 0 296.415 -0.027 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCC3)CC2)C1 ZINC001421006236 907392767 /nfs/dbraw/zinc/39/27/67/907392767.db2.gz YKJGBUHLBJVDIG-LBPRGKRZSA-N 2 0 294.399 -0.591 20 0 CBADRP C[N@H+](CC(=O)NC[C@]1(O)CC[NH+](CCO)C1)C1CCC1 ZINC001421370268 907512424 /nfs/dbraw/zinc/51/24/24/907512424.db2.gz RRYGQZAEHRWUER-CQSZACIVSA-N 2 0 285.388 -0.984 20 0 CBADRP CC(C)[NH+](C)CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001421383772 907517400 /nfs/dbraw/zinc/51/74/00/907517400.db2.gz CSIYGLRZSDPOKZ-OCCSQVGLSA-N 2 0 287.404 -0.740 20 0 CBADRP CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@H]1CCNC1=O ZINC001421421365 907539410 /nfs/dbraw/zinc/53/94/10/907539410.db2.gz KFNPEGZJWPUKCA-AAEUAGOBSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001421446144 907551554 /nfs/dbraw/zinc/55/15/54/907551554.db2.gz XNFXTSXHYJLMBS-SNVBAGLBSA-N 2 0 298.391 -0.956 20 0 CBADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001421483279 907562628 /nfs/dbraw/zinc/56/26/28/907562628.db2.gz AHJJQHNLRVXVKE-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001421483275 907562916 /nfs/dbraw/zinc/56/29/16/907562916.db2.gz AHJJQHNLRVXVKE-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001421526330 907575088 /nfs/dbraw/zinc/57/50/88/907575088.db2.gz HBVDDCBNKLDPAP-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@](C)(C[NH2+]CC(N)=O)C2CC2)CC1 ZINC001421561139 907579967 /nfs/dbraw/zinc/57/99/67/907579967.db2.gz OHVSQGCLNCASSE-OAHLLOKOSA-N 2 0 296.415 -0.312 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001421548762 907581408 /nfs/dbraw/zinc/58/14/08/907581408.db2.gz DNGHQVMQZOXXDM-OLZOCXBDSA-N 2 0 298.431 -0.242 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001421626456 907595345 /nfs/dbraw/zinc/59/53/45/907595345.db2.gz QVOPIWCADPCGJX-TZMCWYRMSA-N 2 0 287.404 -0.738 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001502087865 921336762 /nfs/dbraw/zinc/33/67/62/921336762.db2.gz UBKGSPSDYQYNNR-CHWSQXEVSA-N 2 0 297.399 -0.720 20 0 CBADRP C[C@H]([NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001421660477 907605251 /nfs/dbraw/zinc/60/52/51/907605251.db2.gz SLPYUARCSZHKME-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1cn(C)nn1 ZINC001421682455 907610422 /nfs/dbraw/zinc/61/04/22/907610422.db2.gz ZVKRVZVRDYDGEG-YPMHNXCESA-N 2 0 294.403 -0.249 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001421751068 907632104 /nfs/dbraw/zinc/63/21/04/907632104.db2.gz VYGGZMAWAOZGIW-VXGBXAGGSA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+](C)C)C[NH2+][C@@H]1CCNC1=O ZINC001421749092 907633918 /nfs/dbraw/zinc/63/39/18/907633918.db2.gz VBTTWVGMBMWOIV-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC(=O)NC1CC1 ZINC001421770504 907641411 /nfs/dbraw/zinc/64/14/11/907641411.db2.gz ORFMFCWKOGROEQ-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001421924099 907681010 /nfs/dbraw/zinc/68/10/10/907681010.db2.gz CAMWOLDCUVMJFD-VXGBXAGGSA-N 2 0 286.420 -0.149 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001502135094 921344312 /nfs/dbraw/zinc/34/43/12/921344312.db2.gz GXLCYMZUPGHYQX-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001421981136 907694166 /nfs/dbraw/zinc/69/41/66/907694166.db2.gz IJLVNAZIMVGJBB-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001421996810 907700157 /nfs/dbraw/zinc/70/01/57/907700157.db2.gz XESDDAMMNAXMIG-NWDGAFQWSA-N 2 0 296.415 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NC)C1 ZINC001422057872 907709140 /nfs/dbraw/zinc/70/91/40/907709140.db2.gz YBIGZCOJDSZFEA-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001422069640 907714550 /nfs/dbraw/zinc/71/45/50/907714550.db2.gz XSASVOSXQRXJMJ-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]CC1CCOCC1 ZINC001422341944 907813230 /nfs/dbraw/zinc/81/32/30/907813230.db2.gz CHTYOJIZXWCNKZ-ZDUSSCGKSA-N 2 0 287.404 -0.569 20 0 CBADRP C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)[C@H](C)[NH2+]CCO ZINC001422396727 907840036 /nfs/dbraw/zinc/84/00/36/907840036.db2.gz NTHFJZSJQZPKFP-NWDGAFQWSA-N 2 0 297.403 -0.467 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001422490111 907892459 /nfs/dbraw/zinc/89/24/59/907892459.db2.gz YMFXFAMLVJCGPM-FRRDWIJNSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001422503906 907898917 /nfs/dbraw/zinc/89/89/17/907898917.db2.gz DEVZRRQAFUHEAV-ZJUUUORDSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)[C@@H]1CCNC1=O ZINC001422548607 907921261 /nfs/dbraw/zinc/92/12/61/907921261.db2.gz DGPTZVIGPPPTSI-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001422588643 907937774 /nfs/dbraw/zinc/93/77/74/907937774.db2.gz FXFNCEAKCNMDGR-GHMZBOCLSA-N 2 0 270.377 -0.832 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)C[NH+]1CCC(C)CC1 ZINC001422590753 907938400 /nfs/dbraw/zinc/93/84/00/907938400.db2.gz OSSGOEXLGZQVRH-NEPJUHHUSA-N 2 0 284.404 -0.314 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001422727932 907985093 /nfs/dbraw/zinc/98/50/93/907985093.db2.gz FQQHMIYNEAYYII-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001422727937 907988902 /nfs/dbraw/zinc/98/89/02/907988902.db2.gz FQQHMIYNEAYYII-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)C[NH+]1CCCC1 ZINC001422747755 907995038 /nfs/dbraw/zinc/99/50/38/907995038.db2.gz QBAWYWHEFJVGQQ-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001422896899 908052919 /nfs/dbraw/zinc/05/29/19/908052919.db2.gz VSWRVRJQNBKVNN-AVGNSLFASA-N 2 0 296.415 -0.170 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001423039961 908086017 /nfs/dbraw/zinc/08/60/17/908086017.db2.gz GXJWDXCSKRTQHL-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP NC(=O)C[NH2+]C[C@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001423062147 908094790 /nfs/dbraw/zinc/09/47/90/908094790.db2.gz PKLICZIMBYJZHX-ZDUSSCGKSA-N 2 0 296.415 -0.168 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001423103324 908109333 /nfs/dbraw/zinc/10/93/33/908109333.db2.gz KVZHIXMZLQNNOX-LLVKDONJSA-N 2 0 284.404 -0.489 20 0 CBADRP CCCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001423173133 908125904 /nfs/dbraw/zinc/12/59/04/908125904.db2.gz YYPPFIIDFWEQRX-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001423171894 908126060 /nfs/dbraw/zinc/12/60/60/908126060.db2.gz VKPBCOCDXANVJT-VXGBXAGGSA-N 2 0 294.403 -0.297 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1)C(N)=O ZINC001423224682 908168176 /nfs/dbraw/zinc/16/81/76/908168176.db2.gz FPDHKNQOKHCJGD-MNOVXSKESA-N 2 0 282.388 -0.417 20 0 CBADRP O=C(NC[C@@H](CO)[NH2+]C[C@@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001423288892 908192315 /nfs/dbraw/zinc/19/23/15/908192315.db2.gz CABAGCDKFWUSBC-STQMWFEESA-N 2 0 297.399 -0.815 20 0 CBADRP C[C@@H](O)C[NH2+]C1(CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001423306535 908197982 /nfs/dbraw/zinc/19/79/82/908197982.db2.gz XHWAPEFFUKHHMP-GFCCVEGCSA-N 2 0 299.415 -0.284 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001423339446 908207997 /nfs/dbraw/zinc/20/79/97/908207997.db2.gz IFUCTWSTPUDXPO-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001423472170 908246825 /nfs/dbraw/zinc/24/68/25/908246825.db2.gz UPZNNUIYQKPXSC-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](C(N)=O)[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001423514493 908268879 /nfs/dbraw/zinc/26/88/79/908268879.db2.gz LJVWBKNQHZIEIE-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001423589506 908292361 /nfs/dbraw/zinc/29/23/61/908292361.db2.gz UFGAYCWFJUFHFY-BXUZGUMPSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001423763334 908326597 /nfs/dbraw/zinc/32/65/97/908326597.db2.gz MOOOBFRVFASWJE-HIFRSBDPSA-N 2 0 281.400 -0.099 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001423943611 908374337 /nfs/dbraw/zinc/37/43/37/908374337.db2.gz CWZGXHYVXUOGGB-STQMWFEESA-N 2 0 298.431 -0.242 20 0 CBADRP C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1)C(N)=O ZINC001424091951 908406165 /nfs/dbraw/zinc/40/61/65/908406165.db2.gz VNCHDAWDNHKGLJ-GHMZBOCLSA-N 2 0 293.371 -0.346 20 0 CBADRP CNC(=O)[C@H](C)[N@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001424330472 908444156 /nfs/dbraw/zinc/44/41/56/908444156.db2.gz GCZCHMUCTHLQLT-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001424546340 908470771 /nfs/dbraw/zinc/47/07/71/908470771.db2.gz JVZYKIBPKRSPPH-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP Cn1cnnc1C[NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001424731719 908494102 /nfs/dbraw/zinc/49/41/02/908494102.db2.gz PLWFMXQJOUBSRH-UHFFFAOYSA-N 2 0 294.403 -0.249 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001424733231 908494283 /nfs/dbraw/zinc/49/42/83/908494283.db2.gz GRJFANAGNATLDK-BPCQOVAHSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]CC(N)=O ZINC001424796105 908510493 /nfs/dbraw/zinc/51/04/93/908510493.db2.gz XDQIMSKHHAITJW-QWRGUYRKSA-N 2 0 282.388 -0.417 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@@H]1CCNC1=O ZINC001425047831 908556746 /nfs/dbraw/zinc/55/67/46/908556746.db2.gz ACOJMNWXBGRPFB-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001425316848 908616911 /nfs/dbraw/zinc/61/69/11/908616911.db2.gz AOZFXPLHTAQIIB-ZDEQEGDKSA-N 2 0 296.415 -0.633 20 0 CBADRP C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC(N)=O ZINC001425600912 908680167 /nfs/dbraw/zinc/68/01/67/908680167.db2.gz URLCEUJLAFYLAQ-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+](C)CCCC(=O)NC1CC(C[NH2+]CCO)C1 ZINC001505515058 921433509 /nfs/dbraw/zinc/43/35/09/921433509.db2.gz IHCWDANOKRSCON-UHFFFAOYSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H]([NH2+]CC1CC(NC(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001505515279 921433584 /nfs/dbraw/zinc/43/35/84/921433584.db2.gz QPQWBXUMVPEEIN-VOMCLLRMSA-N 2 0 284.404 -0.314 20 0 CBADRP O=C(NC[C@@H](CO)[NH2+]CC1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001425748379 908725847 /nfs/dbraw/zinc/72/58/47/908725847.db2.gz AVQRYOKWPPRJQY-KBPBESRZSA-N 2 0 281.400 -0.195 20 0 CBADRP O=C(NC[C@@H](CO)[NH2+]CCO)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001425751190 908726836 /nfs/dbraw/zinc/72/68/36/908726836.db2.gz IVAPVLIYUJSSOK-JSGCOSHPSA-N 2 0 299.415 -0.548 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001425820919 908753115 /nfs/dbraw/zinc/75/31/15/908753115.db2.gz KAOIHSWMRBGXLD-CHWSQXEVSA-N 2 0 287.404 -0.834 20 0 CBADRP CC[NH2+][C@H](CO)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001425845289 908762360 /nfs/dbraw/zinc/76/23/60/908762360.db2.gz ALPKOHOUSFXYSB-NEPJUHHUSA-N 2 0 273.377 -0.959 20 0 CBADRP C[C@@H]1[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CCC[NH+](C)C ZINC001425886712 908776137 /nfs/dbraw/zinc/77/61/37/908776137.db2.gz UTFJBXYLTLLASL-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001425953461 908787161 /nfs/dbraw/zinc/78/71/61/908787161.db2.gz CFWDKOASCBNHOB-NEPJUHHUSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001425978970 908792854 /nfs/dbraw/zinc/79/28/54/908792854.db2.gz XFRRXNQBMXXDBK-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001425978966 908794752 /nfs/dbraw/zinc/79/47/52/908794752.db2.gz XFRRXNQBMXXDBK-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001426001906 908800246 /nfs/dbraw/zinc/80/02/46/908800246.db2.gz HWHVTKDSPNYDRR-VXGBXAGGSA-N 2 0 287.404 -0.740 20 0 CBADRP C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001426001894 908802749 /nfs/dbraw/zinc/80/27/49/908802749.db2.gz HWHVTKDSPNYDRR-NWDGAFQWSA-N 2 0 287.404 -0.740 20 0 CBADRP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001426076900 908821767 /nfs/dbraw/zinc/82/17/67/908821767.db2.gz KLUGHLXWQYPZTQ-ZIAGYGMSSA-N 2 0 299.415 -0.928 20 0 CBADRP CN(C[C@H](O)C[NH2+]CCCO)C(=O)C1([NH+](C)C)CCC1 ZINC001507485469 921846297 /nfs/dbraw/zinc/84/62/97/921846297.db2.gz YLNPPWMSRWPJOM-GFCCVEGCSA-N 2 0 287.404 -0.738 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001505680095 921463397 /nfs/dbraw/zinc/46/33/97/921463397.db2.gz ZGLDRGMKPMENCY-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505683258 921467490 /nfs/dbraw/zinc/46/74/90/921467490.db2.gz YTZINRDHBYDTKL-ZJUUUORDSA-N 2 0 270.377 -0.704 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001505753719 921476190 /nfs/dbraw/zinc/47/61/90/921476190.db2.gz ISBFAZACUYPIBL-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001429192434 909214119 /nfs/dbraw/zinc/21/41/19/909214119.db2.gz GPSHTBDPFQNWSR-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP CN(CCNC(=O)CC[NH+](C)C)C(=O)C[N@H+](C)C1CCC1 ZINC001429471225 909246676 /nfs/dbraw/zinc/24/66/76/909246676.db2.gz OOZCIKWIWODINC-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CCC[N@H+](C)CC(=O)NC1CN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001430262042 909319205 /nfs/dbraw/zinc/31/92/05/909319205.db2.gz FLJOPGILLNHEJM-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP CN(CCNC(=O)CC[NH+](C)C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001431488740 909481193 /nfs/dbraw/zinc/48/11/93/909481193.db2.gz GRZSOAIMQZEHPT-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC001433695519 909820741 /nfs/dbraw/zinc/82/07/41/909820741.db2.gz POLAVERKDXZQKC-BFHYXJOUSA-N 2 0 298.431 -0.806 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@]3(O)CCC[NH+](C)C3)C[C@@H]21 ZINC001434012455 909957442 /nfs/dbraw/zinc/95/74/42/909957442.db2.gz JLNDAWTUSKXDIC-VNHYZAJKSA-N 2 0 281.400 -0.004 20 0 CBADRP O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001434385359 910141365 /nfs/dbraw/zinc/14/13/65/910141365.db2.gz PBKKRDBCFAQXQE-OCCSQVGLSA-N 2 0 295.383 -0.704 20 0 CBADRP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)[C@@H](C)C[N@@H+]1CCO ZINC001434475256 910216280 /nfs/dbraw/zinc/21/62/80/910216280.db2.gz GXBKFPVFOCBIIQ-IPYPFGDCSA-N 2 0 285.432 -0.172 20 0 CBADRP O[C@@H]1COCC[C@H]1[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC001434536492 910248131 /nfs/dbraw/zinc/24/81/31/910248131.db2.gz QNYSTPJVVLIXJM-BFHYXJOUSA-N 2 0 270.373 -0.021 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001436283189 910421670 /nfs/dbraw/zinc/42/16/70/910421670.db2.gz MQIFZJISLICLLQ-FRRDWIJNSA-N 2 0 298.431 -0.101 20 0 CBADRP C[NH+]1CCC(OCC(=O)NC[C@H]([NH2+]CCO)C2CC2)CC1 ZINC001436824753 910494295 /nfs/dbraw/zinc/49/42/95/910494295.db2.gz MQVJHNLXIGAIMW-AWEZNQCLSA-N 2 0 299.415 -0.426 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH+](C)CC(N)=O)C1 ZINC001436846238 910494665 /nfs/dbraw/zinc/49/46/65/910494665.db2.gz DFIITMITNUFGQF-ZDUSSCGKSA-N 2 0 298.431 -0.018 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001436875837 910497982 /nfs/dbraw/zinc/49/79/82/910497982.db2.gz BXRUCPKRPVEOJS-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001436908853 910505350 /nfs/dbraw/zinc/50/53/50/910505350.db2.gz HOPPARYPBDLCDA-GMTAPVOTSA-N 2 0 270.377 -0.561 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001436908852 910505690 /nfs/dbraw/zinc/50/56/90/910505690.db2.gz HOPPARYPBDLCDA-DCAQKATOSA-N 2 0 270.377 -0.561 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001436895366 910506463 /nfs/dbraw/zinc/50/64/63/910506463.db2.gz ROIKXCXXXQNSQQ-XGFWRYKXSA-N 2 0 299.415 -0.429 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001436925744 910509669 /nfs/dbraw/zinc/50/96/69/910509669.db2.gz ADOCOCKVPHXMCX-JOCQHMNTSA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001436924536 910509926 /nfs/dbraw/zinc/50/99/26/910509926.db2.gz ILAMFZNYICBFSH-AVGNSLFASA-N 2 0 296.415 -0.156 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001436977418 910520523 /nfs/dbraw/zinc/52/05/23/910520523.db2.gz JWKNVBVJLZHRGK-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001437007318 910525404 /nfs/dbraw/zinc/52/54/04/910525404.db2.gz FZRNUIUGEFTJCJ-GFCCVEGCSA-N 2 0 284.404 -0.358 20 0 CBADRP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@H]1CCNC1=O ZINC001437217335 910587993 /nfs/dbraw/zinc/58/79/93/910587993.db2.gz UERHQUMQASROKZ-AAEUAGOBSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCn1cncn1 ZINC001437236716 910596808 /nfs/dbraw/zinc/59/68/08/910596808.db2.gz MKXKUFSRNXSREH-CHWSQXEVSA-N 2 0 294.403 -0.286 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCN1CCNC1=O ZINC001437263128 910601024 /nfs/dbraw/zinc/60/10/24/910601024.db2.gz RKGSDQJHJMPDLB-NEPJUHHUSA-N 2 0 297.403 -0.942 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001437263174 910603232 /nfs/dbraw/zinc/60/32/32/910603232.db2.gz ROMIWKQXJWBJAW-MNOVXSKESA-N 2 0 270.377 -0.879 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccnn1C ZINC001437258414 910603633 /nfs/dbraw/zinc/60/36/33/910603633.db2.gz HHGCCHIVJQWGHF-VXGBXAGGSA-N 2 0 279.388 -0.034 20 0 CBADRP C[NH+]1CCC(CC(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001437308731 910610157 /nfs/dbraw/zinc/61/01/57/910610157.db2.gz GIOGGYKMNXPJLZ-ZDUSSCGKSA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001437421442 910630594 /nfs/dbraw/zinc/63/05/94/910630594.db2.gz IWQJHUWVQGEHRU-RYUDHWBXSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1C[NH+](CCO)C1 ZINC001506628102 921596905 /nfs/dbraw/zinc/59/69/05/921596905.db2.gz UDYCJBZUNXBOBK-NSHDSACASA-N 2 0 269.389 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH+](CC)[C@@H]1CCN(C)C1=O ZINC001437640729 910707547 /nfs/dbraw/zinc/70/75/47/910707547.db2.gz SYCSRLYNNZKMTM-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001437719903 910736550 /nfs/dbraw/zinc/73/65/50/910736550.db2.gz IJQJEBUQHWWNKE-GFCCVEGCSA-N 2 0 296.415 -0.488 20 0 CBADRP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H](C)C(=O)NC ZINC001437768056 910743467 /nfs/dbraw/zinc/74/34/67/910743467.db2.gz MWVPGXHEGIBGAP-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001437836637 910761613 /nfs/dbraw/zinc/76/16/13/910761613.db2.gz BWGMHAZUWMTRAX-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)C[N@H+](C)C1CCC1 ZINC001437842043 910768159 /nfs/dbraw/zinc/76/81/59/910768159.db2.gz IGEUBTUCQKDGHI-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP Cn1cncc1CC(=O)N[C@@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001438425845 910890476 /nfs/dbraw/zinc/89/04/76/910890476.db2.gz DQRABOCHAWIDRW-AWEZNQCLSA-N 2 0 293.371 -0.678 20 0 CBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+][C@@H]1CCNC1=O ZINC001438518758 910914258 /nfs/dbraw/zinc/91/42/58/910914258.db2.gz IENXBUGOTVRSIN-WCQYABFASA-N 2 0 296.415 -0.441 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001438553749 910916258 /nfs/dbraw/zinc/91/62/58/910916258.db2.gz QNEFYCUPKPGIIW-GFCCVEGCSA-N 2 0 286.420 -0.243 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001438637599 910939290 /nfs/dbraw/zinc/93/92/90/910939290.db2.gz OZIYIXPGCSIZEV-AAEUAGOBSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C[NH+]1CCCC1 ZINC001438725847 910961341 /nfs/dbraw/zinc/96/13/41/910961341.db2.gz XBVSFTBRMZYLLN-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP CC(C)[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC(N)=O ZINC001438805601 910971211 /nfs/dbraw/zinc/97/12/11/910971211.db2.gz LHBQULXXZLOFFA-GFCCVEGCSA-N 2 0 296.415 -0.170 20 0 CBADRP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(N)=O ZINC001438845473 910974953 /nfs/dbraw/zinc/97/49/53/910974953.db2.gz XPTOLWXEGBJIMW-LLVKDONJSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@@H]([NH2+]CCO)[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001506837747 921625976 /nfs/dbraw/zinc/62/59/76/921625976.db2.gz TUMXEHAGUZNJOK-OLZOCXBDSA-N 2 0 299.415 -0.332 20 0 CBADRP O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001439044339 911071482 /nfs/dbraw/zinc/07/14/82/911071482.db2.gz FFKYSCOPBSSWSX-QWHCGFSZSA-N 2 0 297.399 -0.815 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]Cc1cnns1 ZINC001439055133 911078574 /nfs/dbraw/zinc/07/85/74/911078574.db2.gz LHINDDWPPZMNKW-JTQLQIEISA-N 2 0 299.400 -0.799 20 0 CBADRP CO[C@@H](C)C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001439051657 911080003 /nfs/dbraw/zinc/08/00/03/911080003.db2.gz YKTIJGNUOJBRMB-RYUDHWBXSA-N 2 0 285.388 -0.816 20 0 CBADRP C[C@H](CC[NH2+][C@@H](C)c1nnnn1C)NC(=O)CC[NH+](C)C ZINC001439066573 911081930 /nfs/dbraw/zinc/08/19/30/911081930.db2.gz RWVLOHMZZCSFCY-MNOVXSKESA-N 2 0 297.407 -0.293 20 0 CBADRP C[C@@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001439077044 911085748 /nfs/dbraw/zinc/08/57/48/911085748.db2.gz RWWAZEMBUDWOSL-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C[N@H+](C)C1CCC1 ZINC001439076292 911088497 /nfs/dbraw/zinc/08/84/97/911088497.db2.gz XNRXQFKSQGVMLK-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001439102435 911101768 /nfs/dbraw/zinc/10/17/68/911101768.db2.gz LWOPLDRVHWUIAU-DGCLKSJQSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(N)=O ZINC001439125647 911110450 /nfs/dbraw/zinc/11/04/50/911110450.db2.gz DJGOLXREFOAODR-NEPJUHHUSA-N 2 0 284.404 -0.314 20 0 CBADRP O=C(N[C@H]1C[C@H](C[NH2+]CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001506884417 921634008 /nfs/dbraw/zinc/63/40/08/921634008.db2.gz XYAYEOWWUBQKCB-UBHSHLNASA-N 2 0 281.400 -0.195 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001439151971 911118987 /nfs/dbraw/zinc/11/89/87/911118987.db2.gz GBTKXUCTUJKFON-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001439155737 911119082 /nfs/dbraw/zinc/11/90/82/911119082.db2.gz XOQPWLUPQLWNAM-UTUOFQBUSA-N 2 0 284.404 -0.348 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH2+]CC(N)=O)C1 ZINC001439149567 911120686 /nfs/dbraw/zinc/12/06/86/911120686.db2.gz NPQXEPLDZKHUBB-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001439182965 911128286 /nfs/dbraw/zinc/12/82/86/911128286.db2.gz XCQXLYHNLBOLAA-VXGBXAGGSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C[NH+]1CCCC1 ZINC001439179837 911129621 /nfs/dbraw/zinc/12/96/21/911129621.db2.gz SRXHPZAUGBTRTJ-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001439181549 911129898 /nfs/dbraw/zinc/12/98/98/911129898.db2.gz FJZYNCPGEVTHPT-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001439176028 911130784 /nfs/dbraw/zinc/13/07/84/911130784.db2.gz NIOJNEASZRQAHN-YPMHNXCESA-N 2 0 286.420 -0.245 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001506896386 921635906 /nfs/dbraw/zinc/63/59/06/921635906.db2.gz NFRVQTYQILQLHL-SRVKXCTJSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC001439231935 911147431 /nfs/dbraw/zinc/14/74/31/911147431.db2.gz OLOPADIKWBYQIK-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001439235542 911148720 /nfs/dbraw/zinc/14/87/20/911148720.db2.gz OFNWBZAMBSWSIC-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001439240875 911153069 /nfs/dbraw/zinc/15/30/69/911153069.db2.gz NOIZIQSXHFLFTC-FPMFFAJLSA-N 2 0 299.415 -0.570 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001439454964 911210930 /nfs/dbraw/zinc/21/09/30/911210930.db2.gz JOLPYSVVBROEIR-CYBMUJFWSA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001439460994 911215894 /nfs/dbraw/zinc/21/58/94/911215894.db2.gz ZBHOYYSNTVANRS-STQMWFEESA-N 2 0 296.415 -0.170 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001439494145 911220654 /nfs/dbraw/zinc/22/06/54/911220654.db2.gz LZAHOKYWORIGQV-GFCCVEGCSA-N 2 0 282.388 -0.687 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001439607132 911259994 /nfs/dbraw/zinc/25/99/94/911259994.db2.gz LEKRJFRXUSZTDB-QJPTWQEYSA-N 2 0 296.415 -0.301 20 0 CBADRP C[NH+](C)C1(C(=O)NCC2([NH2+][C@@H]3CCNC3=O)CC2)CCC1 ZINC001439616496 911260347 /nfs/dbraw/zinc/26/03/47/911260347.db2.gz UFTRSLJWACHVES-LLVKDONJSA-N 2 0 294.399 -0.402 20 0 CBADRP CCNC(=O)C[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001439667601 911270918 /nfs/dbraw/zinc/27/09/18/911270918.db2.gz OTEOXCXLJGRIHH-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001439783420 911289002 /nfs/dbraw/zinc/28/90/02/911289002.db2.gz ORGLXXQZXVXHKU-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CC[NH+](CCCF)C2)C1 ZINC001440023562 911348155 /nfs/dbraw/zinc/34/81/55/911348155.db2.gz NEPXNHAYNAXMCZ-GXTWGEPZSA-N 2 0 287.379 -0.149 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCCF)C2)C1 ZINC001440023571 911350487 /nfs/dbraw/zinc/35/04/87/911350487.db2.gz NEPXNHAYNAXMCZ-OCCSQVGLSA-N 2 0 287.379 -0.149 20 0 CBADRP C[C@H](O)CN1CC(O)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001440053977 911369097 /nfs/dbraw/zinc/36/90/97/911369097.db2.gz DWGTVSJSRXWOBH-STQMWFEESA-N 2 0 299.415 -0.596 20 0 CBADRP CO[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001440374756 911439379 /nfs/dbraw/zinc/43/93/79/911439379.db2.gz JAKSXUVJSXTBKH-CHWSQXEVSA-N 2 0 287.404 -0.210 20 0 CBADRP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCNC1=O ZINC001440679583 911489567 /nfs/dbraw/zinc/48/95/67/911489567.db2.gz HODCCTBCYWRDAD-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP C[NH+](C)CCC(=O)NC1CC(C[NH2+]CC(=O)N2CCC2)C1 ZINC001440757574 911503926 /nfs/dbraw/zinc/50/39/26/911503926.db2.gz UBMHBIBKNHRIFT-UHFFFAOYSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCO ZINC001507073010 921668090 /nfs/dbraw/zinc/66/80/90/921668090.db2.gz KMBNXSJVDKCNCV-DGCLKSJQSA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C1C[NH+](CCO)C1 ZINC001441201324 911621878 /nfs/dbraw/zinc/62/18/78/911621878.db2.gz OVTRSPDRFKPJJU-QWHCGFSZSA-N 2 0 299.415 -0.617 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)C(N)=O ZINC001441361090 911653086 /nfs/dbraw/zinc/65/30/86/911653086.db2.gz RYQCADVURZJRLS-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001441362918 911653510 /nfs/dbraw/zinc/65/35/10/911653510.db2.gz ASAIKMVOWYWEMC-DDHJBXDOSA-N 2 0 282.388 -0.704 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001441383409 911656504 /nfs/dbraw/zinc/65/65/04/911656504.db2.gz ZLNQVVHXYLPRFJ-JHJVBQTASA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001441390493 911659910 /nfs/dbraw/zinc/65/99/10/911659910.db2.gz WNQKFKDHZNBKGD-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1)[NH+](C)C ZINC001441403284 911661470 /nfs/dbraw/zinc/66/14/70/911661470.db2.gz LGRFPGZVZBHIBS-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001441415427 911666481 /nfs/dbraw/zinc/66/64/81/911666481.db2.gz GFEMUJGWJRORBF-IJLUTSLNSA-N 2 0 284.404 -0.348 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001441509492 911689861 /nfs/dbraw/zinc/68/98/61/911689861.db2.gz VPFIUJBZYVWIHH-TXEJJXNPSA-N 2 0 297.403 -0.800 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001441511150 911690206 /nfs/dbraw/zinc/69/02/06/911690206.db2.gz ZNXXODCURDBVDG-GARJFASQSA-N 2 0 270.377 -0.561 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001441504834 911690278 /nfs/dbraw/zinc/69/02/78/911690278.db2.gz MZZBMKRFVQHUAM-TXEJJXNPSA-N 2 0 280.376 -0.533 20 0 CBADRP CN1CCC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001441509862 911690931 /nfs/dbraw/zinc/69/09/31/911690931.db2.gz WRKHXEXMRYZXIV-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)nn1 ZINC001441509617 911691029 /nfs/dbraw/zinc/69/10/29/911691029.db2.gz VWVRJUQQVIRUBP-PHIMTYICSA-N 2 0 280.376 -0.496 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001507126870 921684363 /nfs/dbraw/zinc/68/43/63/921684363.db2.gz OKKYEUATCINMCM-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O)[NH+](C)C ZINC001441625260 911715290 /nfs/dbraw/zinc/71/52/90/911715290.db2.gz XAWGRDSIBVBWFM-CMPLNLGQSA-N 2 0 272.393 -0.506 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001441610931 911717682 /nfs/dbraw/zinc/71/76/82/911717682.db2.gz QNNNODGMNLNYGU-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP CNC(=O)C[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001441739807 911774351 /nfs/dbraw/zinc/77/43/51/911774351.db2.gz HVWOSHXACOJDPM-UHFFFAOYSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](CO)[NH2+]CC1CC1 ZINC001441795700 911813010 /nfs/dbraw/zinc/81/30/10/911813010.db2.gz OPOYGQYZPHUTKI-TZMCWYRMSA-N 2 0 299.415 -0.569 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001441826706 911825259 /nfs/dbraw/zinc/82/52/59/911825259.db2.gz NEZQGUXLRQTRRP-QWHCGFSZSA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001441937137 911858077 /nfs/dbraw/zinc/85/80/77/911858077.db2.gz KMISLZINEBGNRK-VHSXEESVSA-N 2 0 270.377 -0.704 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001441936974 911859920 /nfs/dbraw/zinc/85/99/20/911859920.db2.gz QLNLDLHSQIYBCY-VXGBXAGGSA-N 2 0 296.415 -0.489 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001441943618 911862433 /nfs/dbraw/zinc/86/24/33/911862433.db2.gz WWGVFJGDHMYMJL-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@H]1CCN(C)C1=O ZINC001441943482 911863515 /nfs/dbraw/zinc/86/35/15/911863515.db2.gz SYTSKNAFDGBQSD-AAEUAGOBSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@H]1CCN(C)C1=O ZINC001441943496 911864325 /nfs/dbraw/zinc/86/43/25/911864325.db2.gz SYTSKNAFDGBQSD-YPMHNXCESA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC001442139453 911937120 /nfs/dbraw/zinc/93/71/20/911937120.db2.gz OZTMCROGYDJKBH-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001442245480 911954726 /nfs/dbraw/zinc/95/47/26/911954726.db2.gz XKVKFRSERIUMGJ-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001442245482 911955990 /nfs/dbraw/zinc/95/59/90/911955990.db2.gz XKVKFRSERIUMGJ-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001442317574 911968150 /nfs/dbraw/zinc/96/81/50/911968150.db2.gz HDTHTJLWARXTKV-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@@H](O)C[N@H+](C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001442416629 912009947 /nfs/dbraw/zinc/00/99/47/912009947.db2.gz TVPXMPPORUCNKF-GFCCVEGCSA-N 2 0 297.403 -0.513 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001443077928 912146974 /nfs/dbraw/zinc/14/69/74/912146974.db2.gz JDXDIGOVKFOJTA-GHMZBOCLSA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001443314986 912185539 /nfs/dbraw/zinc/18/55/39/912185539.db2.gz AUNFPVBRXNXVTE-OLZOCXBDSA-N 2 0 298.431 -0.018 20 0 CBADRP CCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001507221192 921752362 /nfs/dbraw/zinc/75/23/62/921752362.db2.gz FILSMGWCNKSCOZ-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP O=C(N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)C12CC[NH+](CC1)C2 ZINC001471641322 915610020 /nfs/dbraw/zinc/61/00/20/915610020.db2.gz XPTNNLMFRWPAMW-QWHCGFSZSA-N 2 0 279.384 -0.250 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCF ZINC001507264685 921789863 /nfs/dbraw/zinc/78/98/63/921789863.db2.gz KXCFRPGTRFSIJN-RYUDHWBXSA-N 2 0 275.368 -0.103 20 0 CBADRP C[C@@H]1C[N@H+](CCO)CCN1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC001473547326 915830787 /nfs/dbraw/zinc/83/07/87/915830787.db2.gz SDSSUUKMYAOOMW-KFWWJZLASA-N 2 0 283.416 -0.152 20 0 CBADRP CC[N@H+](C)[C@H]1CCN(C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC001477868206 916019489 /nfs/dbraw/zinc/01/94/89/916019489.db2.gz HAVBGRCJYHQUOY-KBPBESRZSA-N 2 0 297.447 -0.032 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001479295590 916114928 /nfs/dbraw/zinc/11/49/28/916114928.db2.gz PUCQYVGDAPDPNO-FVCCEPFGSA-N 2 0 296.415 -0.443 20 0 CBADRP C[N@H+](CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001479320730 916120222 /nfs/dbraw/zinc/12/02/22/916120222.db2.gz HANGFAYCPQPMPQ-TXEJJXNPSA-N 2 0 298.431 -0.066 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001479358003 916121827 /nfs/dbraw/zinc/12/18/27/916121827.db2.gz SFBIFYOTBUJSOE-CYDGBPFRSA-N 2 0 296.415 -0.301 20 0 CBADRP Cn1cc(C[NH2+][C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)nn1 ZINC001479393909 916130565 /nfs/dbraw/zinc/13/05/65/916130565.db2.gz OFUNNKFALYYBPT-HAQNSBGRSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001479670566 916154356 /nfs/dbraw/zinc/15/43/56/916154356.db2.gz YBVSYMBSCUJRSH-XQQFMLRXSA-N 2 0 296.415 -0.408 20 0 CBADRP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CCn1cncn1 ZINC001479762358 916165004 /nfs/dbraw/zinc/16/50/04/916165004.db2.gz NTTFLNDFGPHNTM-ZDUSSCGKSA-N 2 0 294.403 -0.190 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001480038089 916269483 /nfs/dbraw/zinc/26/94/83/916269483.db2.gz AVGKOIZQFXHQIX-WDEREUQCSA-N 2 0 268.361 -0.950 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001480061294 916276228 /nfs/dbraw/zinc/27/62/28/916276228.db2.gz HDGNYMBNSXRBRM-NEPJUHHUSA-N 2 0 282.388 -0.832 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001480061297 916279086 /nfs/dbraw/zinc/27/90/86/916279086.db2.gz HDGNYMBNSXRBRM-VXGBXAGGSA-N 2 0 282.388 -0.832 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001480158339 916312200 /nfs/dbraw/zinc/31/22/00/916312200.db2.gz NADHLFKERHTFIV-SRVKXCTJSA-N 2 0 284.404 -0.348 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001480351007 916363764 /nfs/dbraw/zinc/36/37/64/916363764.db2.gz FPVZAGXLHIDBMP-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001480460868 916421335 /nfs/dbraw/zinc/42/13/35/916421335.db2.gz XZMPSCDYSZHWGN-GHMZBOCLSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001480478479 916429945 /nfs/dbraw/zinc/42/99/45/916429945.db2.gz ZFMBAHVHFIQFPU-DGCLKSJQSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]C[C@H](C)O ZINC001480475814 916430314 /nfs/dbraw/zinc/43/03/14/916430314.db2.gz UNNNMIFFZRWIGB-MNOVXSKESA-N 2 0 257.378 -0.054 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cnn(C)c1 ZINC001480531039 916460372 /nfs/dbraw/zinc/46/03/72/916460372.db2.gz SYEUFXPQWKHVEK-LLVKDONJSA-N 2 0 267.377 -0.034 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001480530441 916461941 /nfs/dbraw/zinc/46/19/41/916461941.db2.gz GVTNOALBTJORLX-WDEREUQCSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H](O)C[NH2+][C@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001480554301 916468218 /nfs/dbraw/zinc/46/82/18/916468218.db2.gz YGKTXQNGLRXYMW-VXGBXAGGSA-N 2 0 297.403 -0.467 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@H](C)C(N)=O ZINC001480560156 916472539 /nfs/dbraw/zinc/47/25/39/916472539.db2.gz UBQQSRJXRVQJQM-VXGBXAGGSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCNC1=O ZINC001480560251 916473132 /nfs/dbraw/zinc/47/31/32/916473132.db2.gz VMUGTEASHCFZBQ-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]CCCO ZINC001480563949 916478332 /nfs/dbraw/zinc/47/83/32/916478332.db2.gz MZCZWDWZRNIDLJ-LBPRGKRZSA-N 2 0 287.404 -0.426 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)C(N)=O ZINC001480591266 916486777 /nfs/dbraw/zinc/48/67/77/916486777.db2.gz FICSZBFVRZJHLL-ZJUUUORDSA-N 2 0 256.350 -0.950 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]CCCO)C2)C1 ZINC001480622160 916500706 /nfs/dbraw/zinc/50/07/06/916500706.db2.gz XGBBXHBTIBFWKK-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP O=C(N1CC[C@H](C[NH2+]CCO)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001480676027 916515916 /nfs/dbraw/zinc/51/59/16/916515916.db2.gz LTPDSBSTFXJWAU-HIFRSBDPSA-N 2 0 281.400 -0.097 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480754191 916529277 /nfs/dbraw/zinc/52/92/77/916529277.db2.gz QZBLUHHRZZOQNN-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480754192 916531369 /nfs/dbraw/zinc/53/13/69/916531369.db2.gz QZBLUHHRZZOQNN-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)C(N)=O ZINC001480791437 916542096 /nfs/dbraw/zinc/54/20/96/916542096.db2.gz XTXWFCPBWZULCM-ZJUUUORDSA-N 2 0 258.366 -0.704 20 0 CBADRP CC[C@H]([NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001480803724 916546127 /nfs/dbraw/zinc/54/61/27/916546127.db2.gz RRWFGISEUADFRT-NEPJUHHUSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@@H]([NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001480803725 916546554 /nfs/dbraw/zinc/54/65/54/916546554.db2.gz RRWFGISEUADFRT-VXGBXAGGSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CCNC1=O ZINC001480983359 916666854 /nfs/dbraw/zinc/66/68/54/916666854.db2.gz YOJONNXZJVHYCB-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)[C@@H]1CCNC1=O ZINC001481016108 916687139 /nfs/dbraw/zinc/68/71/39/916687139.db2.gz BBAPCYMISFSQGS-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@H+](CCO)C1 ZINC001481122433 916720242 /nfs/dbraw/zinc/72/02/42/916720242.db2.gz ANZISYKISOLRJC-UONOGXRCSA-N 2 0 299.415 -0.615 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]([C@@H](C)C(=O)NC)C1 ZINC001481120429 916723327 /nfs/dbraw/zinc/72/33/27/916723327.db2.gz DFWFBPUUXOOFBD-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001481239768 916781708 /nfs/dbraw/zinc/78/17/08/916781708.db2.gz YFKQLGYNSDOJRY-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@@H](C(=O)N(C)CC[NH2+]CC(=O)N(C)CC)[NH+](C)C ZINC001481281113 916803116 /nfs/dbraw/zinc/80/31/16/916803116.db2.gz ACPWGLQXXFKDOE-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001481280856 916805916 /nfs/dbraw/zinc/80/59/16/916805916.db2.gz YXCRVMDYAWYJLR-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(CC[NH2+]CCc1cnn(C)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481314970 916813213 /nfs/dbraw/zinc/81/32/13/916813213.db2.gz OSMPWQZVQROWEH-CQSZACIVSA-N 2 0 293.415 -0.038 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001481464143 916838315 /nfs/dbraw/zinc/83/83/15/916838315.db2.gz IEHOCICNZQXVLK-CHWSQXEVSA-N 2 0 269.389 -0.241 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH+](C)CC(N)=O)C2)C1 ZINC001481496475 916850827 /nfs/dbraw/zinc/85/08/27/916850827.db2.gz CWYTVZZTNCATJM-QWHCGFSZSA-N 2 0 296.415 -0.406 20 0 CBADRP CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(=O)NC ZINC001481820309 916994494 /nfs/dbraw/zinc/99/44/94/916994494.db2.gz MDDZTSSSHFYIJT-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H]1CCCNC1=O ZINC001481850653 917009113 /nfs/dbraw/zinc/00/91/13/917009113.db2.gz WMHRMTDTHZLJHP-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]C[C@@H](C)O ZINC001481879326 917016387 /nfs/dbraw/zinc/01/63/87/917016387.db2.gz PYAJEQRZVGYYIL-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@@](C[NH2+]CC(N)=O)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001481949808 917029817 /nfs/dbraw/zinc/02/98/17/917029817.db2.gz FHCKTKZSKDUJMH-AWEZNQCLSA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@H]([NH2+]C[C@@](C)(NC(=O)C[NH+]1CCCC1)C1CC1)C(N)=O ZINC001481950069 917030100 /nfs/dbraw/zinc/03/01/00/917030100.db2.gz FUUSPXJOWUMTRV-XHDPSFHLSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(N)=O)[NH+](C)C ZINC001482062895 917038786 /nfs/dbraw/zinc/03/87/86/917038786.db2.gz HMJLNLZCIJGLEC-UTUOFQBUSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1nncn1C ZINC001482085322 917044196 /nfs/dbraw/zinc/04/41/96/917044196.db2.gz OITXANRZFMVYFS-NEPJUHHUSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+][C@@H](C)C(N)=O ZINC001482117035 917059714 /nfs/dbraw/zinc/05/97/14/917059714.db2.gz LSQMSCSEEYEDNQ-NEPJUHHUSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001482155161 917068331 /nfs/dbraw/zinc/06/83/31/917068331.db2.gz CSMOBSWJULPFOK-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+]1CCC(C(=O)NCC2([NH2+]CC(N)=O)CCCC2)CC1 ZINC001482228507 917096248 /nfs/dbraw/zinc/09/62/48/917096248.db2.gz SISOQAWZHZQAQF-UHFFFAOYSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482295687 917117534 /nfs/dbraw/zinc/11/75/34/917117534.db2.gz DTNMQBLJVOVYTE-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482329337 917132769 /nfs/dbraw/zinc/13/27/69/917132769.db2.gz AKHAJUKBKRHXDJ-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001482479758 917151900 /nfs/dbraw/zinc/15/19/00/917151900.db2.gz DJYAYJOINPAMSB-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP O=C(NC[C@H](O)C[NH2+]CC1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001482728563 917234493 /nfs/dbraw/zinc/23/44/93/917234493.db2.gz HJQGXRKQDPBMFU-KGLIPLIRSA-N 2 0 281.400 -0.195 20 0 CBADRP COCC[NH2+]C[C@H](O)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482765686 917261763 /nfs/dbraw/zinc/26/17/63/917261763.db2.gz BBECGSWKGGAVLM-NEPJUHHUSA-N 2 0 273.377 -0.959 20 0 CBADRP CC[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001482780637 917280157 /nfs/dbraw/zinc/28/01/57/917280157.db2.gz CDAKEFIHILUCGM-LBPRGKRZSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H](F)CC[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001482793441 917286800 /nfs/dbraw/zinc/28/68/00/917286800.db2.gz PGSKMRJCMMDNTP-NEPJUHHUSA-N 2 0 275.368 -0.103 20 0 CBADRP C[C@@H](F)CC[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001482793444 917288229 /nfs/dbraw/zinc/28/82/29/917288229.db2.gz PGSKMRJCMMDNTP-VXGBXAGGSA-N 2 0 275.368 -0.103 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1cncn1C ZINC001482799606 917290362 /nfs/dbraw/zinc/29/03/62/917290362.db2.gz QXHLYPFMFMANRT-CYBMUJFWSA-N 2 0 297.403 -0.673 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCCO ZINC001482800645 917292648 /nfs/dbraw/zinc/29/26/48/917292648.db2.gz XDGWXTOLPICOBQ-QWHCGFSZSA-N 2 0 287.404 -0.690 20 0 CBADRP C[C@H](CC[NH2+]CCCO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482816681 917300563 /nfs/dbraw/zinc/30/05/63/917300563.db2.gz IRMORNQKXCLDFN-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@H](CC[NH2+]CC(N)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482831924 917306087 /nfs/dbraw/zinc/30/60/87/917306087.db2.gz CFDYGNWQTGVEQS-PWSUYJOCSA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482831923 917307146 /nfs/dbraw/zinc/30/71/46/917307146.db2.gz CFDYGNWQTGVEQS-JQWIXIFHSA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001482840656 917308462 /nfs/dbraw/zinc/30/84/62/917308462.db2.gz YFXWPOQAJOTZKW-WCQYABFASA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482860672 917312263 /nfs/dbraw/zinc/31/22/63/917312263.db2.gz KENRTZQXVYTCQW-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@@H](O)C[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001482890657 917324249 /nfs/dbraw/zinc/32/42/49/917324249.db2.gz ITMIECZKDMGCJO-NWDGAFQWSA-N 2 0 269.389 -0.053 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482925162 917336306 /nfs/dbraw/zinc/33/63/06/917336306.db2.gz LZLHFQRNLAFDHA-QJPTWQEYSA-N 2 0 284.404 -0.362 20 0 CBADRP CCN(CC[NH2+]CC(N)=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482925579 917338838 /nfs/dbraw/zinc/33/88/38/917338838.db2.gz SCMVNULVASVLQW-LBPRGKRZSA-N 2 0 282.388 -0.748 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001482946045 917347120 /nfs/dbraw/zinc/34/71/20/917347120.db2.gz DDONYZJGMFKUFZ-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCN(CC[NH2+]C[C@H](O)COC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482966591 917352697 /nfs/dbraw/zinc/35/26/97/917352697.db2.gz CKQPVDHICSBTOS-STQMWFEESA-N 2 0 287.404 -0.617 20 0 CBADRP CCN(CC[NH2+]C[C@H](O)COC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482966590 917352734 /nfs/dbraw/zinc/35/27/34/917352734.db2.gz CKQPVDHICSBTOS-OLZOCXBDSA-N 2 0 287.404 -0.617 20 0 CBADRP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001483009127 917372612 /nfs/dbraw/zinc/37/26/12/917372612.db2.gz RGUSMPYCAPEIMX-PWUVMTTMSA-N 2 0 282.388 -0.538 20 0 CBADRP CNC(=O)C[NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2 ZINC001483031062 917383916 /nfs/dbraw/zinc/38/39/16/917383916.db2.gz ITIDKDQAJKWQKE-NSCUHMNNSA-N 2 0 294.399 -0.377 20 0 CBADRP C[C@@H](O)C[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001483053549 917390213 /nfs/dbraw/zinc/39/02/13/917390213.db2.gz FOHRJNSPYXACKQ-AAOUONPWSA-N 2 0 269.389 -0.029 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1 ZINC001483093936 917403741 /nfs/dbraw/zinc/40/37/41/917403741.db2.gz WDESBTFGDHUMJK-MVZIDQBPSA-N 2 0 282.388 -0.521 20 0 CBADRP Cn1nncc1C[NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1 ZINC001483093721 917404875 /nfs/dbraw/zinc/40/48/75/917404875.db2.gz TWQDMXMEZBWDNK-IHWYPQMZSA-N 2 0 292.387 -0.327 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001483172537 917448571 /nfs/dbraw/zinc/44/85/71/917448571.db2.gz RFWREIURJZCFOP-LLVKDONJSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001483185003 917458669 /nfs/dbraw/zinc/45/86/69/917458669.db2.gz ZZYBDNNGFBNFHK-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)CC[NH+](C)C ZINC001483262141 917500069 /nfs/dbraw/zinc/50/00/69/917500069.db2.gz UIGOEKWDJZYBAI-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001483282997 917503387 /nfs/dbraw/zinc/50/33/87/917503387.db2.gz GCFREBSDZQGEID-NWDGAFQWSA-N 2 0 294.403 -0.249 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001483296542 917508537 /nfs/dbraw/zinc/50/85/37/917508537.db2.gz JZESWQRLFZXWAK-WDEREUQCSA-N 2 0 298.387 -0.774 20 0 CBADRP C[C@H](O)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001483484172 917576878 /nfs/dbraw/zinc/57/68/78/917576878.db2.gz KJAXTKZSUGDTGJ-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H](C[NH2+]CCO)C2CC2)CC1 ZINC001483582465 917598014 /nfs/dbraw/zinc/59/80/14/917598014.db2.gz CLLHHDFCRBPTQG-GFCCVEGCSA-N 2 0 269.389 -0.195 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@@H](C[NH2+]CCO)C2CC2)CC1 ZINC001483582467 917598436 /nfs/dbraw/zinc/59/84/36/917598436.db2.gz CLLHHDFCRBPTQG-LBPRGKRZSA-N 2 0 269.389 -0.195 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001483759954 917671521 /nfs/dbraw/zinc/67/15/21/917671521.db2.gz RTRGMKVFQRIFTA-NEPJUHHUSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@@H]([NH2+]C1(CNC(=O)CC[NH+](C)C)CC1)C(N)=O ZINC001483764631 917671588 /nfs/dbraw/zinc/67/15/88/917671588.db2.gz MWEISLDCSVIJNB-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H](O)C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001483762905 917672345 /nfs/dbraw/zinc/67/23/45/917672345.db2.gz PEMJSEXEYBDZGM-LLVKDONJSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC2([NH2+]CCO)CC2)CC1 ZINC001483762550 917672613 /nfs/dbraw/zinc/67/26/13/917672613.db2.gz LGSDUGWOISHGBR-UHFFFAOYSA-N 2 0 255.362 -0.441 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCOCCO)CC2)C1 ZINC001483790992 917681313 /nfs/dbraw/zinc/68/13/13/917681313.db2.gz OJBHEIUHDSHWIZ-GFCCVEGCSA-N 2 0 285.388 -0.815 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)C(N)=O ZINC001483951866 917710974 /nfs/dbraw/zinc/71/09/74/917710974.db2.gz MNZFEJQVSFNLTF-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CCO ZINC001483958143 917717742 /nfs/dbraw/zinc/71/77/42/917717742.db2.gz GFJLTMJLJGHBMR-LBPRGKRZSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CCC(=O)NCC1(C)CC[NH+](CC(N)=O)CC1 ZINC001484142627 917743862 /nfs/dbraw/zinc/74/38/62/917743862.db2.gz XKYBGIAQHWSEKN-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP CCC[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001484239282 917784467 /nfs/dbraw/zinc/78/44/67/917784467.db2.gz VUEGDEDELXQTIS-ZDUSSCGKSA-N 2 0 257.378 -0.099 20 0 CBADRP COCC[N@@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001484246400 917788610 /nfs/dbraw/zinc/78/86/10/917788610.db2.gz JVEWMNVUCRFVCE-OAHLLOKOSA-N 2 0 297.399 -0.718 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001484346077 917833061 /nfs/dbraw/zinc/83/30/61/917833061.db2.gz HWQVGLLHEWSZQM-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP COCC[NH2+]CCN(CCO)C(=O)C12CCC[NH+]1CCC2 ZINC001484486357 917869306 /nfs/dbraw/zinc/86/93/06/917869306.db2.gz NLCDBIVCHQDHGI-UHFFFAOYSA-N 2 0 299.415 -0.328 20 0 CBADRP CC[NH2+]CCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001484492223 917874131 /nfs/dbraw/zinc/87/41/31/917874131.db2.gz CGEICEQZPKETJN-UHFFFAOYSA-N 2 0 257.378 -0.241 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](CC[NH2+]CCO)C2)C1 ZINC001484549495 917887675 /nfs/dbraw/zinc/88/76/75/917887675.db2.gz JDEOTEMDWJWHRB-STQMWFEESA-N 2 0 269.389 -0.241 20 0 CBADRP CC[C@H](C(=O)NCC1([NH2+]CCO)CCC1)[NH+](C)C ZINC001484660549 917906458 /nfs/dbraw/zinc/90/64/58/917906458.db2.gz JIPJERZCFIGHSE-LLVKDONJSA-N 2 0 257.378 -0.053 20 0 CBADRP CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]CCO)C1)[NH+](C)C ZINC001484697475 917926938 /nfs/dbraw/zinc/92/69/38/917926938.db2.gz VUAFPURATHFACW-NEPJUHHUSA-N 2 0 273.377 -0.864 20 0 CBADRP CC[C@H](C(=O)N1CCO[C@H](C[NH2+]CCO)C1)[NH+](C)C ZINC001484697480 917927067 /nfs/dbraw/zinc/92/70/67/917927067.db2.gz VUAFPURATHFACW-VXGBXAGGSA-N 2 0 273.377 -0.864 20 0 CBADRP C[C@H](O)C[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001485001442 917980694 /nfs/dbraw/zinc/98/06/94/917980694.db2.gz MAIDUCUBLZPRBJ-RYUDHWBXSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H]([NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001485107418 917997697 /nfs/dbraw/zinc/99/76/97/917997697.db2.gz RGBAVGFWFMDRFJ-VOMCLLRMSA-N 2 0 294.399 -0.560 20 0 CBADRP C[C@@H]([NH2+]CC(=O)N(C)C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001485189662 918022741 /nfs/dbraw/zinc/02/27/41/918022741.db2.gz YEGAZISCWBQOIS-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(N)=O ZINC001485229848 918033270 /nfs/dbraw/zinc/03/32/70/918033270.db2.gz MWKGJBRIZZLVLC-VHSXEESVSA-N 2 0 258.366 -0.705 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001485223708 918034115 /nfs/dbraw/zinc/03/41/15/918034115.db2.gz ANHYIMWJVHHUDO-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485265406 918037656 /nfs/dbraw/zinc/03/76/56/918037656.db2.gz YTMFZAXREWDZMI-GFCCVEGCSA-N 2 0 298.431 -0.242 20 0 CBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)CCO ZINC001485312086 918071948 /nfs/dbraw/zinc/07/19/48/918071948.db2.gz GUYDRXAEUOILEE-LLVKDONJSA-N 2 0 257.378 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001485703178 918170071 /nfs/dbraw/zinc/17/00/71/918170071.db2.gz RTTCFCCQSMSESF-IJLUTSLNSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](CCC[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485748947 918183504 /nfs/dbraw/zinc/18/35/04/918183504.db2.gz QEVOSOPFTZTPCQ-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP C[N@H+](CCO)CCOCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485773926 918187278 /nfs/dbraw/zinc/18/72/78/918187278.db2.gz WVLDITYXNUMKEH-AWEZNQCLSA-N 2 0 299.415 -0.615 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001485823223 918193500 /nfs/dbraw/zinc/19/35/00/918193500.db2.gz QITLTRVAWFFIJK-LBPRGKRZSA-N 2 0 284.404 -0.489 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001485854816 918207380 /nfs/dbraw/zinc/20/73/80/918207380.db2.gz HKTFSHUEFPNVIS-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001485855550 918210481 /nfs/dbraw/zinc/21/04/81/918210481.db2.gz LVOBEORUKSHDPZ-YPMHNXCESA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001485916737 918232268 /nfs/dbraw/zinc/23/22/68/918232268.db2.gz WXZWGNWGIGUQPU-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001485954937 918239463 /nfs/dbraw/zinc/23/94/63/918239463.db2.gz BIHIHTOILRBCPT-RYUDHWBXSA-N 2 0 284.404 -0.537 20 0 CBADRP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001485956113 918239522 /nfs/dbraw/zinc/23/95/22/918239522.db2.gz UAZBTLHFXLGKQV-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001485956109 918240721 /nfs/dbraw/zinc/24/07/21/918240721.db2.gz UAZBTLHFXLGKQV-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC1CCOCC1 ZINC001485984149 918275403 /nfs/dbraw/zinc/27/54/03/918275403.db2.gz YZHDSNJAJZPSCQ-KBPBESRZSA-N 2 0 299.415 -0.426 20 0 CBADRP O=C(NC[C@H](CO)[NH2+]CCC1CC1)C12CC[NH+](CC1)C2 ZINC001486053289 918344498 /nfs/dbraw/zinc/34/44/98/918344498.db2.gz YBIAFFRTIMFSOC-CYBMUJFWSA-N 2 0 281.400 -0.051 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)[C@H]1C ZINC001486092770 918364218 /nfs/dbraw/zinc/36/42/18/918364218.db2.gz HHWGKLDHFHDIJR-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)CN1C(=O)CC[NH+](C)C ZINC001486120633 918373862 /nfs/dbraw/zinc/37/38/62/918373862.db2.gz DHUYZDYHLQZLSN-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP COCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001486286384 918411523 /nfs/dbraw/zinc/41/15/23/918411523.db2.gz VBTXHKYBAQREHC-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP CN(C[C@@H](O)C[NH2+]C[C@@H]1CCOC1)C(=O)CC[NH+](C)C ZINC001486298457 918414137 /nfs/dbraw/zinc/41/41/37/918414137.db2.gz PKHCRZKSEJGCAG-STQMWFEESA-N 2 0 287.404 -0.617 20 0 CBADRP CC[NH2+]C[C@@H](O)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001486308610 918419966 /nfs/dbraw/zinc/41/99/66/918419966.db2.gz PLMWYAWBBGWJMM-GFCCVEGCSA-N 2 0 287.404 -0.474 20 0 CBADRP CNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651665 918746179 /nfs/dbraw/zinc/74/61/79/918746179.db2.gz AXHVDLBNFGQFQI-NEPJUHHUSA-N 2 0 284.404 -0.395 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001488772705 918765974 /nfs/dbraw/zinc/76/59/74/918765974.db2.gz MAWPCUJPWCTPFA-RWMBFGLXSA-N 2 0 269.389 -0.195 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001488960297 918780974 /nfs/dbraw/zinc/78/09/74/918780974.db2.gz HNZFNDPEWLYZQA-YNEHKIRRSA-N 2 0 296.415 -0.312 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001488968672 918782000 /nfs/dbraw/zinc/78/20/00/918782000.db2.gz ZKICTDIBFSWZAG-NWDGAFQWSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)[C@H](C(=O)NCCC[N@H+](C)[C@@H](C)C(N)=O)[NH+](C)C ZINC001490243711 918878007 /nfs/dbraw/zinc/87/80/07/918878007.db2.gz HZEFPHQJLFJNLB-NWDGAFQWSA-N 2 0 286.420 -0.116 20 0 CBADRP CC[N@H+](CCO)CCCNC(=O)C[NH+]1CCCC1 ZINC001490361366 918899604 /nfs/dbraw/zinc/89/96/04/918899604.db2.gz KYJNFPFYGNYUCJ-UHFFFAOYSA-N 2 0 257.378 -0.097 20 0 CBADRP C[NH+]1CCC(C(=O)NCCC[N@H+](CC(N)=O)C2CC2)CC1 ZINC001490382595 918902850 /nfs/dbraw/zinc/90/28/50/918902850.db2.gz GFBFGKHCLDYSQW-UHFFFAOYSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+](CC(N)=O)C2CC2)C1 ZINC001490394489 918905358 /nfs/dbraw/zinc/90/53/58/918905358.db2.gz WNOSJONXADYIOH-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001490448043 918908169 /nfs/dbraw/zinc/90/81/69/918908169.db2.gz QDYCCKNUDPXTJT-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP NC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001490663995 918957571 /nfs/dbraw/zinc/95/75/71/918957571.db2.gz BVXYPHIUFHUOQO-CHWSQXEVSA-N 2 0 294.399 -0.702 20 0 CBADRP NC(=O)C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001490728535 918965052 /nfs/dbraw/zinc/96/50/52/918965052.db2.gz OGNZDCZMHOBOHX-NSHDSACASA-N 2 0 280.372 -0.948 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001490751586 918966762 /nfs/dbraw/zinc/96/67/62/918966762.db2.gz HDFZEPWFGJHHAR-OLZOCXBDSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001490829596 918974485 /nfs/dbraw/zinc/97/44/85/918974485.db2.gz WRCSFPHQAGPACT-RWMBFGLXSA-N 2 0 298.431 -0.006 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001490841481 918977080 /nfs/dbraw/zinc/97/70/80/918977080.db2.gz NOONMRGJOBOFRY-RWMBFGLXSA-N 2 0 298.431 -0.102 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001490829594 918977225 /nfs/dbraw/zinc/97/72/25/918977225.db2.gz WRCSFPHQAGPACT-FRRDWIJNSA-N 2 0 298.431 -0.006 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1)[NH+](C)C ZINC001490902410 918987159 /nfs/dbraw/zinc/98/71/59/918987159.db2.gz NOOKHXMVPGQULS-SRVKXCTJSA-N 2 0 257.378 -0.198 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOCCO)C1 ZINC001491002283 919005002 /nfs/dbraw/zinc/00/50/02/919005002.db2.gz FFISQKFVUUGFPU-XQQFMLRXSA-N 2 0 285.388 -0.674 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001491025565 919012886 /nfs/dbraw/zinc/01/28/86/919012886.db2.gz AWBFQXGHHOLFDZ-WUHRBBMRSA-N 2 0 296.415 -0.029 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001491078993 919023783 /nfs/dbraw/zinc/02/37/83/919023783.db2.gz CQYAKCVHLHIRPG-WCFLWFBJSA-N 2 0 294.399 -0.547 20 0 CBADRP CC[C@@H](C(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001491318651 919111484 /nfs/dbraw/zinc/11/14/84/919111484.db2.gz VHKCZDMSSJFYBV-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N(C)C ZINC001491413607 919144597 /nfs/dbraw/zinc/14/45/97/919144597.db2.gz FLUJXQXSYVMZHL-QWRGUYRKSA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCN1CCNC1=O ZINC001491416131 919150474 /nfs/dbraw/zinc/15/04/74/919150474.db2.gz XJAKUPKUYOSPBB-NEPJUHHUSA-N 2 0 297.403 -0.800 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001491513672 919189182 /nfs/dbraw/zinc/18/91/82/919189182.db2.gz RKJPTUURCIQQIO-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCCO ZINC001491580964 919215527 /nfs/dbraw/zinc/21/55/27/919215527.db2.gz YBDUGJXLOVHMRL-VXGBXAGGSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C ZINC001491630075 919239914 /nfs/dbraw/zinc/23/99/14/919239914.db2.gz DSEMYEMTURVJFL-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP C[N@H+](CC(=O)N[C@H]1CCC[C@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001491876725 919296642 /nfs/dbraw/zinc/29/66/42/919296642.db2.gz IDAZERCKLGXPTF-RYUDHWBXSA-N 2 0 296.415 -0.027 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001492027423 919313331 /nfs/dbraw/zinc/31/33/31/919313331.db2.gz UJKKZSSPIFVSOR-IJLUTSLNSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CCO ZINC001492074905 919318254 /nfs/dbraw/zinc/31/82/54/919318254.db2.gz AZNZPKSANJTZQT-NSHDSACASA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001492128413 919326285 /nfs/dbraw/zinc/32/62/85/919326285.db2.gz SSGALYXSDVCAHA-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCNC1=O ZINC001492127927 919326771 /nfs/dbraw/zinc/32/67/71/919326771.db2.gz HODCCTBCYWRDAD-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001492112425 919326931 /nfs/dbraw/zinc/32/69/31/919326931.db2.gz AMRVYQOUYZZTII-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCN(C)[C@@H](C)C(=O)N(C)C ZINC001492824064 919434067 /nfs/dbraw/zinc/43/40/67/919434067.db2.gz PZQSBKWZTOVCMA-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP CC[C@@H](C(N)=O)N(C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001492819674 919436271 /nfs/dbraw/zinc/43/62/71/919436271.db2.gz WQOJLYYFXUISTM-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CCn1cncn1 ZINC001492853291 919439965 /nfs/dbraw/zinc/43/99/65/919439965.db2.gz DIKCQOYDKNVGSN-GFCCVEGCSA-N 2 0 280.376 -0.722 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@@H+]1CCO ZINC001493159593 919491109 /nfs/dbraw/zinc/49/11/09/919491109.db2.gz CMNLQXVACKZUMY-KGLIPLIRSA-N 2 0 299.415 -0.472 20 0 CBADRP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493235090 919508551 /nfs/dbraw/zinc/50/85/51/919508551.db2.gz VDJUWDKZBMXNJO-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CCCO)C1 ZINC001493234261 919509299 /nfs/dbraw/zinc/50/92/99/919509299.db2.gz RFAITQDGVDYQST-LBPRGKRZSA-N 2 0 257.378 -0.241 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001493262298 919512365 /nfs/dbraw/zinc/51/23/65/919512365.db2.gz FQMUHJRPYKXZRO-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CCO)C1 ZINC001493256078 919512786 /nfs/dbraw/zinc/51/27/86/919512786.db2.gz FZOOMBCKTKVHBX-GFCCVEGCSA-N 2 0 257.378 -0.241 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001493256314 919514583 /nfs/dbraw/zinc/51/45/83/919514583.db2.gz KEUAFVYWMMNABW-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001493258713 919515809 /nfs/dbraw/zinc/51/58/09/919515809.db2.gz GQDOSUKJRMGTQJ-QWHCGFSZSA-N 2 0 294.399 -0.591 20 0 CBADRP CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001493501974 919565042 /nfs/dbraw/zinc/56/50/42/919565042.db2.gz ZVUXOSFMUYTXBY-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O)CC[N@@H+]1C ZINC001493550834 919578931 /nfs/dbraw/zinc/57/89/31/919578931.db2.gz JWRSVQWRBDVBMP-SDDRHHMPSA-N 2 0 284.404 -0.362 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001493574613 919580697 /nfs/dbraw/zinc/58/06/97/919580697.db2.gz JTXPSURLHVJQBI-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001493574635 919582738 /nfs/dbraw/zinc/58/27/38/919582738.db2.gz KLEFZQZTDIBWFV-CYBMUJFWSA-N 2 0 296.415 -0.073 20 0 CBADRP CN(CC[NH2+]CC(=O)N1CCC1)C(=O)C[N@H+](C)C1CCC1 ZINC001493580143 919584257 /nfs/dbraw/zinc/58/42/57/919584257.db2.gz QOMMQOIPCLVDKB-UHFFFAOYSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001493654287 919598029 /nfs/dbraw/zinc/59/80/29/919598029.db2.gz VHZDAADXNOCIDT-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP CN(C)C(=O)C[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001493762783 919617534 /nfs/dbraw/zinc/61/75/34/919617534.db2.gz GUIWULLQGDSXKU-UHFFFAOYSA-N 2 0 282.388 -0.782 20 0 CBADRP CN(CC[NH2+]CC(=O)NC1CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001493793718 919621875 /nfs/dbraw/zinc/62/18/75/919621875.db2.gz KSQDZVHCWRUPFB-NSHDSACASA-N 2 0 282.388 -0.735 20 0 CBADRP CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001494048078 919652629 /nfs/dbraw/zinc/65/26/29/919652629.db2.gz MTDHLKBFSDLACI-TZMCWYRMSA-N 2 0 298.431 -0.114 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@H](C)C(N)=O)C1 ZINC001494170574 919665984 /nfs/dbraw/zinc/66/59/84/919665984.db2.gz DHELAZUIGQZYGK-OLZOCXBDSA-N 2 0 298.431 -0.018 20 0 CBADRP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001494849141 919801765 /nfs/dbraw/zinc/80/17/65/919801765.db2.gz WMIWBKCUASFHQT-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001494848949 919805420 /nfs/dbraw/zinc/80/54/20/919805420.db2.gz UIUBSAXPZDOCAC-RYUDHWBXSA-N 2 0 284.404 -0.265 20 0 CBADRP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001495095927 919862138 /nfs/dbraw/zinc/86/21/38/919862138.db2.gz ZMQRFFKBSQYADH-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)C[NH+]1CCCC1 ZINC001495109618 919864365 /nfs/dbraw/zinc/86/43/65/919864365.db2.gz STTSHIKFEXRNAO-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001495301398 919883030 /nfs/dbraw/zinc/88/30/30/919883030.db2.gz UHCSOQFEANHTKC-HZMBPMFUSA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001495577666 919906381 /nfs/dbraw/zinc/90/63/81/919906381.db2.gz JLTKOYGKSOOYRQ-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]CC(N)=O ZINC001495696419 919929743 /nfs/dbraw/zinc/92/97/43/919929743.db2.gz MLINOXLZBWKOFV-LLVKDONJSA-N 2 0 282.388 -0.558 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001495783606 919941790 /nfs/dbraw/zinc/94/17/90/919941790.db2.gz BHHSRTOGWOHFDU-RYUDHWBXSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)N1CCC1 ZINC001495809743 919948738 /nfs/dbraw/zinc/94/87/38/919948738.db2.gz TVJMWNLOKWQROC-STQMWFEESA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CCCO ZINC001495809289 919949856 /nfs/dbraw/zinc/94/98/56/919949856.db2.gz QJCMOJALDGRQPE-LBPRGKRZSA-N 2 0 257.378 -0.194 20 0 CBADRP CN(CCNC(=O)C[NH+]1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001496060512 920019578 /nfs/dbraw/zinc/01/95/78/920019578.db2.gz ZSDZWQMQMFMPJS-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001496082243 920022095 /nfs/dbraw/zinc/02/20/95/920022095.db2.gz SHIVXQQZBMPSEN-NWDGAFQWSA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001496142905 920029501 /nfs/dbraw/zinc/02/95/01/920029501.db2.gz ZROVVHHVAVVCGU-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCC(=O)NC1=O)N(C)C(=O)CC[NH+](C)C ZINC001496151427 920033926 /nfs/dbraw/zinc/03/39/26/920033926.db2.gz VRARLEPBRFAQKL-MNOVXSKESA-N 2 0 298.387 -0.820 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001496150309 920036247 /nfs/dbraw/zinc/03/62/47/920036247.db2.gz PPNJFLZMSNLSAK-YPMHNXCESA-N 2 0 296.415 -0.347 20 0 CBADRP CC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001496987104 920193589 /nfs/dbraw/zinc/19/35/89/920193589.db2.gz WQYMTHDGPZPDAK-RYUDHWBXSA-N 2 0 255.362 -0.585 20 0 CBADRP CC(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001497034223 920220130 /nfs/dbraw/zinc/22/01/30/920220130.db2.gz OXZDPMIRBSDKHY-VXGBXAGGSA-N 2 0 257.378 -0.197 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CC2CC2)CC1 ZINC001497047276 920227162 /nfs/dbraw/zinc/22/71/62/920227162.db2.gz MWDFGIZYXKFZFZ-CYBMUJFWSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]CC2CC2)C1 ZINC001497053738 920231742 /nfs/dbraw/zinc/23/17/42/920231742.db2.gz LBJXXDPCQBEGGX-DGCLKSJQSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)CC[NH2+]CCO ZINC001497324517 920285478 /nfs/dbraw/zinc/28/54/78/920285478.db2.gz VCXWRZBMPVMONX-OLZOCXBDSA-N 2 0 287.404 -0.569 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001497876468 920413330 /nfs/dbraw/zinc/41/33/30/920413330.db2.gz IFXDJXBHUYYLNR-OUAUKWLOSA-N 2 0 270.377 -0.691 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001497876465 920415414 /nfs/dbraw/zinc/41/54/14/920415414.db2.gz IFXDJXBHUYYLNR-GMTAPVOTSA-N 2 0 270.377 -0.691 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001497878674 920415590 /nfs/dbraw/zinc/41/55/90/920415590.db2.gz XQVTZZZEXNINHF-GMTAPVOTSA-N 2 0 268.361 -0.937 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001497895654 920417620 /nfs/dbraw/zinc/41/76/20/920417620.db2.gz YVHFVVOHDXUAAQ-SNVBAGLBSA-N 2 0 270.377 -0.832 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001497955055 920429913 /nfs/dbraw/zinc/42/99/13/920429913.db2.gz QNRYOVHTRZMCBO-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@H](C[NH2+]CCn1cncn1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497983723 920431926 /nfs/dbraw/zinc/43/19/26/920431926.db2.gz KAENJGRGVYFAMV-VXGBXAGGSA-N 2 0 280.376 -0.676 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497983296 920434377 /nfs/dbraw/zinc/43/43/77/920434377.db2.gz ACVPTKXUSDSCAU-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(N)=O ZINC001497994251 920435293 /nfs/dbraw/zinc/43/52/93/920435293.db2.gz YUJZOLREJRQPKJ-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001498133677 920493430 /nfs/dbraw/zinc/49/34/30/920493430.db2.gz YFAXRZZBCXOJOT-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001498197540 920513970 /nfs/dbraw/zinc/51/39/70/920513970.db2.gz PAIKYRZBJZYISA-NWDGAFQWSA-N 2 0 286.420 -0.102 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001498655969 920622852 /nfs/dbraw/zinc/62/28/52/920622852.db2.gz XPIJQSUMFAOFTD-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP CN(C)C(=O)C[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001498641559 920623192 /nfs/dbraw/zinc/62/31/92/920623192.db2.gz HREYEWIJLBZYFO-UHFFFAOYSA-N 2 0 296.415 -0.392 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1CCCO ZINC001499128350 920705143 /nfs/dbraw/zinc/70/51/43/920705143.db2.gz WNUOGOVITPMFJH-GFCCVEGCSA-N 2 0 257.378 -0.101 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001499370830 920744692 /nfs/dbraw/zinc/74/46/92/920744692.db2.gz CKXBYKGIMXUWKE-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001499448939 920748763 /nfs/dbraw/zinc/74/87/63/920748763.db2.gz XNRROLFGMOUVQY-NSHDSACASA-N 2 0 280.372 -0.791 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC(=O)N(C)C)CC1 ZINC001499459484 920751733 /nfs/dbraw/zinc/75/17/33/920751733.db2.gz YEHYUAQEIUTASK-UHFFFAOYSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@@]2(O)CC[N@H+](CCO)C2)CCC1 ZINC001500686571 920857482 /nfs/dbraw/zinc/85/74/82/920857482.db2.gz GPDDPCPLIUHMRC-ZDUSSCGKSA-N 2 0 285.388 -0.984 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@]2(O)CC[N@H+](CCO)C2)CCC1 ZINC001500686570 920858842 /nfs/dbraw/zinc/85/88/42/920858842.db2.gz GPDDPCPLIUHMRC-CYBMUJFWSA-N 2 0 285.388 -0.984 20 0 CBADRP CC[N@@H+]1CC[C@](O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001500743277 920875299 /nfs/dbraw/zinc/87/52/99/920875299.db2.gz KKYFBMPYEZLICY-HNNXBMFYSA-N 2 0 299.415 -0.330 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001501067934 920942608 /nfs/dbraw/zinc/94/26/08/920942608.db2.gz VEZDAWBVLXMYLM-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001501067937 920942724 /nfs/dbraw/zinc/94/27/24/920942724.db2.gz VEZDAWBVLXMYLM-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH+](C)CCC(=O)N[C@]1(CO)CCC[N@H+](CCCO)C1 ZINC001501345787 920980864 /nfs/dbraw/zinc/98/08/64/920980864.db2.gz PDKVZJCNZMEQRL-CQSZACIVSA-N 2 0 287.404 -0.736 20 0 CBADRP C[NH+](C)CCC(=O)NCC1([NH2+]CCn2cncn2)CCC1 ZINC001501996185 921078031 /nfs/dbraw/zinc/07/80/31/921078031.db2.gz VINCERCYPFUWNX-UHFFFAOYSA-N 2 0 294.403 -0.142 20 0 CBADRP C[C@H]([NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)C(N)=O ZINC001507442945 921824625 /nfs/dbraw/zinc/82/46/25/921824625.db2.gz KXAIXGHEKMSDJA-QWRGUYRKSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001507490223 921849371 /nfs/dbraw/zinc/84/93/71/921849371.db2.gz PXNFBTWJQKDURR-QWHCGFSZSA-N 2 0 299.415 -0.596 20 0 CBADRP CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507562173 921869122 /nfs/dbraw/zinc/86/91/22/921869122.db2.gz JQXDZXFBPNXSBW-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)C[NH+](C)C1CCC1 ZINC001507640877 921889094 /nfs/dbraw/zinc/88/90/94/921889094.db2.gz VVJBGHXTNQRGSV-CYBMUJFWSA-N 2 0 287.404 -0.786 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](O)C[NH3+])C1 ZINC001521482885 922360123 /nfs/dbraw/zinc/36/01/23/922360123.db2.gz XMRBAADROCWCLI-NWDGAFQWSA-N 2 0 257.378 -0.210 20 0 CBADRP C[NH2+]CCC1CCN(C(=O)[C@@H]([NH3+])C(C)(C)O)CC1 ZINC001521512090 922364872 /nfs/dbraw/zinc/36/48/72/922364872.db2.gz FNTRMAMFZOHGPB-LLVKDONJSA-N 2 0 257.378 -0.067 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001521527793 922365798 /nfs/dbraw/zinc/36/57/98/922365798.db2.gz UMEXOJWWDMDCAC-TUAOUCFPSA-N 2 0 252.362 -0.757 20 0 CBADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001521533213 922365907 /nfs/dbraw/zinc/36/59/07/922365907.db2.gz DENNNZWTQFKERN-XBFCOCLRSA-N 2 0 267.373 -0.190 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001521741284 922375638 /nfs/dbraw/zinc/37/56/38/922375638.db2.gz XCBVGAKEHWKJLM-TUAOUCFPSA-N 2 0 269.389 -0.006 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001521739540 922376529 /nfs/dbraw/zinc/37/65/29/922376529.db2.gz BSSVSODKEQCCJK-VHSXEESVSA-N 2 0 261.391 -0.439 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)CC[N@@H+]1C ZINC001521788103 922380928 /nfs/dbraw/zinc/38/09/28/922380928.db2.gz AQBBIHSOGJJQLS-YRGRVCCFSA-N 2 0 269.389 -0.148 20 0 CBADRP C[C@@H]([NH3+])CONC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001521806889 922381376 /nfs/dbraw/zinc/38/13/76/922381376.db2.gz MMADZRRKWAOSPI-RKDXNWHRSA-N 2 0 268.321 -0.789 20 0 CBADRP O=C(N[C@H]1COC2(C[NH2+]C2)C1)[C@@H]1CCCCC[NH2+]1 ZINC001521974149 922394026 /nfs/dbraw/zinc/39/40/26/922394026.db2.gz NDYFUKFBRUBGQT-MNOVXSKESA-N 2 0 253.346 -0.234 20 0 CBADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001521976080 922395740 /nfs/dbraw/zinc/39/57/40/922395740.db2.gz VHNPCYXZPMBMTN-GARJFASQSA-N 2 0 255.362 -0.003 20 0 CBADRP CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001522084490 922398173 /nfs/dbraw/zinc/39/81/73/922398173.db2.gz QEHBNCUPAFHOLX-WOPDTQHZSA-N 2 0 255.362 -0.300 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC001522251273 922402721 /nfs/dbraw/zinc/40/27/21/922402721.db2.gz QYVYUXAINPKSPV-RYUDHWBXSA-N 2 0 257.378 -0.195 20 0 CBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001522231899 922405022 /nfs/dbraw/zinc/40/50/22/922405022.db2.gz OFSJADQFEJIOKZ-WYUUTHIRSA-N 2 0 253.346 -0.975 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001522543691 922460292 /nfs/dbraw/zinc/46/02/92/922460292.db2.gz GWXASUKOVHJWOA-CZXHOFHRSA-N 2 0 267.373 -0.416 20 0 CBADRP CCC[N@H+](C)CC(=O)N1NC(=O)CC12CC[NH2+]CC2 ZINC001522840529 922532657 /nfs/dbraw/zinc/53/26/57/922532657.db2.gz IGODSUQYWUFMLZ-UHFFFAOYSA-N 2 0 268.361 -0.286 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)=NO1 ZINC001522912421 922548870 /nfs/dbraw/zinc/54/88/70/922548870.db2.gz PMTMZTXBXZOJSK-IRUJWGPZSA-N 2 0 266.345 -0.262 20 0 CBADRP COCC[C@H]([NH3+])C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001522933423 922549505 /nfs/dbraw/zinc/54/95/05/922549505.db2.gz ZKDSNMJNHZKNNN-ZDUSSCGKSA-N 2 0 286.420 -0.458 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCNCC[NH2+]CC1 ZINC001522997322 922554460 /nfs/dbraw/zinc/55/44/60/922554460.db2.gz BMCAULAHUYGZOQ-BETUJISGSA-N 2 0 268.405 -0.119 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)C1 ZINC001523009511 922560240 /nfs/dbraw/zinc/56/02/40/922560240.db2.gz GVMRRGNXJNDQEJ-JBLDHEPKSA-N 2 0 259.325 -0.754 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC001523026398 922561666 /nfs/dbraw/zinc/56/16/66/922561666.db2.gz ANKUZNJIQWZCFC-NWDGAFQWSA-N 2 0 255.362 -0.048 20 0 CBADRP CC(C)(C[NH3+])C1CCN(C(=O)CNCC[NH3+])CC1 ZINC001523346263 922582637 /nfs/dbraw/zinc/58/26/37/922582637.db2.gz LWIXKPPMNDMVDT-UHFFFAOYSA-N 2 0 256.394 -0.242 20 0 CBADRP CN(C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)C1(C[NH3+])CCOCC1 ZINC001523429112 922590091 /nfs/dbraw/zinc/59/00/91/922590091.db2.gz YRDIJAOYRLMVNN-GRYCIOLGSA-N 2 0 267.373 -0.192 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[C@]1(O)CCC[NH2+]C1)C2 ZINC001523550757 922597107 /nfs/dbraw/zinc/59/71/07/922597107.db2.gz NZVUEQVAYORZMW-KZVDOYCCSA-N 2 0 267.373 -0.171 20 0 CBADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[C@H]1C[NH2+]CCO1)C2 ZINC001523551748 922598253 /nfs/dbraw/zinc/59/82/53/922598253.db2.gz UZRXLRYGOZXPMB-BJDJZHNGSA-N 2 0 253.346 -0.297 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001523570901 922600188 /nfs/dbraw/zinc/60/01/88/922600188.db2.gz CYNTZDHLMBPPTA-MFKMUULPSA-N 2 0 269.345 -0.379 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001523571958 922601770 /nfs/dbraw/zinc/60/17/70/922601770.db2.gz MCBUFSYTHJNTPR-MDZLAQPJSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@H](NC(=O)C1(C)C[NH2+]C1)[C@H]1C[N@H+](C)CCN1C ZINC001524028518 922614761 /nfs/dbraw/zinc/61/47/61/922614761.db2.gz CCWSVBGEVQJXBH-WDEREUQCSA-N 2 0 254.378 -0.654 20 0 CBADRP CC[NH+](CC)CC(=O)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001528184922 922813089 /nfs/dbraw/zinc/81/30/89/922813089.db2.gz SGIFUIACSUIBQM-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP CC[NH+](CC)CC(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001528184921 922813471 /nfs/dbraw/zinc/81/34/71/922813471.db2.gz SGIFUIACSUIBQM-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP C[NH+](C)CCC(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001530768763 922967573 /nfs/dbraw/zinc/96/75/73/922967573.db2.gz HIAPCWZLKGVHFI-ZDUSSCGKSA-N 2 0 296.415 -0.536 20 0 CBADRP C[NH+](C)CCC(=O)NCC1CN(C(=O)CC[NH+](C)C)C1 ZINC001530887838 922974675 /nfs/dbraw/zinc/97/46/75/922974675.db2.gz XGIGKIBJBSETDP-UHFFFAOYSA-N 2 0 284.404 -0.536 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1CCO2)C1CC1 ZINC001548547603 923372646 /nfs/dbraw/zinc/37/26/46/923372646.db2.gz IHEZQKJVZKGHMM-DYEKYZERSA-N 2 0 267.373 -0.179 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001548552957 923374259 /nfs/dbraw/zinc/37/42/59/923374259.db2.gz MUORIWJCKATMGD-ZIAGYGMSSA-N 2 0 280.416 -0.166 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCO3)C1 ZINC001548553916 923374459 /nfs/dbraw/zinc/37/44/59/923374459.db2.gz POQFUZPOAUUKHR-BZPMIXESSA-N 2 0 283.372 -0.798 20 0 CBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548550381 923374695 /nfs/dbraw/zinc/37/46/95/923374695.db2.gz FUYPINHCRCDGIF-SUNKGSAMSA-N 2 0 265.357 -0.282 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001548554389 923376574 /nfs/dbraw/zinc/37/65/74/923376574.db2.gz GPWFQHAEYKBMGD-GXTWGEPZSA-N 2 0 292.383 -0.053 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CCO4)C[C@@H]21 ZINC001548556057 923378014 /nfs/dbraw/zinc/37/80/14/923378014.db2.gz YFJRZVYZUJRCIO-ARUSPNSKSA-N 2 0 279.384 -0.049 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N(CC[NH3+])Cc1ccccc1 ZINC001548557434 923378915 /nfs/dbraw/zinc/37/89/15/923378915.db2.gz NAUYPUKEMKXVKY-AWEZNQCLSA-N 2 0 276.384 -0.123 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CCO2)C(F)F ZINC001548556341 923379228 /nfs/dbraw/zinc/37/92/28/923379228.db2.gz JSJBCSMVBFNJKX-FYBVGQRMSA-N 2 0 263.288 -0.536 20 0 CBADRP C[NH2+]C1CC(C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])C1 ZINC001548555054 923379434 /nfs/dbraw/zinc/37/94/34/923379434.db2.gz IOBHDKACDLIFCD-QQFIATSDSA-N 2 0 255.362 -0.051 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001548557246 923379673 /nfs/dbraw/zinc/37/96/73/923379673.db2.gz ULMQDAXCHAPIBZ-UWVGGRQHSA-N 2 0 284.335 -0.299 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CCO4)C[C@H]21 ZINC001548556058 923379988 /nfs/dbraw/zinc/37/99/88/923379988.db2.gz YFJRZVYZUJRCIO-BGPZULBFSA-N 2 0 279.384 -0.049 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC001548556016 923380017 /nfs/dbraw/zinc/38/00/17/923380017.db2.gz ZSDWUTQWSMPIDH-JSGCOSHPSA-N 2 0 267.373 -0.156 20 0 CBADRP O=C(N1CC[C@@]2(C1)CCC[NH2+]C2)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548557731 923380048 /nfs/dbraw/zinc/38/00/48/923380048.db2.gz KOJQQIQVZCAUEH-SNPRPXQTSA-N 2 0 279.384 -0.033 20 0 CBADRP C[NH2+]C1CC(C(=O)N2CCNC[C@@H]2c2nccn2C)C1 ZINC001548557610 923380620 /nfs/dbraw/zinc/38/06/20/923380620.db2.gz JACIHKNLRYLGIB-HTAVTVPLSA-N 2 0 277.372 -0.109 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001548557832 923384746 /nfs/dbraw/zinc/38/47/46/923384746.db2.gz NVGJIZGSRXJKNV-MPKXVKKWSA-N 2 0 280.372 -0.001 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NCC[C@@H]1CSCC[NH2+]1 ZINC001548563740 923388104 /nfs/dbraw/zinc/38/81/04/923388104.db2.gz POSQBWDXYYKENO-MNOVXSKESA-N 2 0 273.402 -0.424 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001548566022 923389482 /nfs/dbraw/zinc/38/94/82/923389482.db2.gz RZQWZXHEHDMPEM-GHMZBOCLSA-N 2 0 272.418 -0.899 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001548564830 923390294 /nfs/dbraw/zinc/39/02/94/923390294.db2.gz GZNKSJQUCRZZJS-AXFHLTTASA-N 2 0 273.402 -0.439 20 0 CBADRP COC[C@@]1(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CCCC[NH2+]1 ZINC001548569536 923390774 /nfs/dbraw/zinc/39/07/74/923390774.db2.gz PHQPOVQHNLBXMX-BXUZGUMPSA-N 2 0 283.372 -0.608 20 0 CBADRP [NH3+][C@H](Cc1ccccc1)C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001548570190 923393489 /nfs/dbraw/zinc/39/34/89/923393489.db2.gz TYMWCPJOJHJOMF-QWHCGFSZSA-N 2 0 275.352 -0.197 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)CC[C@H]1F ZINC001548572273 923394152 /nfs/dbraw/zinc/39/41/52/923394152.db2.gz OHIBZVUXTHUASA-GIPNMCIBSA-N 2 0 284.335 -0.217 20 0 CBADRP O=C(N[C@H]1COC2(C[NH2+]C2)C1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC001548570207 923395203 /nfs/dbraw/zinc/39/52/03/923395203.db2.gz UNCPAQQZGKVPRI-ZIAGYGMSSA-N 2 0 287.363 -0.052 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)C1([NH3+])Cc2ccccc2C1 ZINC001548575566 923398912 /nfs/dbraw/zinc/39/89/12/923398912.db2.gz FGSRVURNWHQEJL-CYBMUJFWSA-N 2 0 277.368 -0.479 20 0 CBADRP CC1(C)CN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC2(C[NH2+]C2)O1 ZINC001548575826 923399995 /nfs/dbraw/zinc/39/99/95/923399995.db2.gz JKMZXEIOZYBREV-GHMZBOCLSA-N 2 0 283.372 -0.670 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC001548575307 923400488 /nfs/dbraw/zinc/40/04/88/923400488.db2.gz AWLWLCJZHONIFS-TZMCWYRMSA-N 2 0 277.368 -0.088 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001548574535 923401504 /nfs/dbraw/zinc/40/15/04/923401504.db2.gz FVDJYJFCMGBQNU-VXGBXAGGSA-N 2 0 287.429 -0.346 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548580463 923402681 /nfs/dbraw/zinc/40/26/81/923402681.db2.gz YCVYOPSEOAOQMW-WDEREUQCSA-N 2 0 267.373 -0.036 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548580129 923403185 /nfs/dbraw/zinc/40/31/85/923403185.db2.gz WARXXWMDBCKSDS-SNVBAGLBSA-N 2 0 271.361 -0.670 20 0 CBADRP CC1(C)CN(C(=O)[C@@H]([NH3+])CC(F)F)CC2(C[NH2+]C2)O1 ZINC001548580041 923403441 /nfs/dbraw/zinc/40/34/41/923403441.db2.gz VQHIUTJJNVLELH-QMMMGPOBSA-N 2 0 277.315 -0.052 20 0 CBADRP O=C(C1=NOC2(C1)CC[NH2+]CC2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001548578806 923403544 /nfs/dbraw/zinc/40/35/44/923403544.db2.gz WFFNARWMRBKYBN-PHIMTYICSA-N 2 0 278.356 -0.152 20 0 CBADRP O=C(C1=NO[C@@]2(C1)CCC[NH2+]C2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001548576429 923403817 /nfs/dbraw/zinc/40/38/17/923403817.db2.gz GAIKYGPWIRYZGF-UHIISALHSA-N 2 0 278.356 -0.152 20 0 CBADRP CC1(C)CN(C(=O)[C@]23C[NH2+]C[C@H]2CCO3)C[C@@H]1[NH3+] ZINC001548584918 923405903 /nfs/dbraw/zinc/40/59/03/923405903.db2.gz GWEHQKOZXFNYJA-NRUUGDAUSA-N 2 0 253.346 -0.439 20 0 CBADRP COC[C@@]1(C(=O)N2CCC(OC3C[NH2+]C3)CC2)CC[NH2+]C1 ZINC001548588415 923406971 /nfs/dbraw/zinc/40/69/71/923406971.db2.gz VVCRWQWACGHPJM-OAHLLOKOSA-N 2 0 297.399 -0.408 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1=O ZINC001548583904 923407780 /nfs/dbraw/zinc/40/77/80/923407780.db2.gz FOGPWKRDCDHRIT-NEPJUHHUSA-N 2 0 296.415 -0.408 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC001548582707 923407841 /nfs/dbraw/zinc/40/78/41/923407841.db2.gz IFRSJKUAPWYOSL-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP C[NH2+][C@H](C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1cnn(C)c1 ZINC001548581645 923408350 /nfs/dbraw/zinc/40/83/50/923408350.db2.gz NWVBNGMMSXKLLL-SGMGOOAPSA-N 2 0 277.372 -0.252 20 0 CBADRP O=C(c1ccc2c[nH+]cn2c1)N1CCNCC[NH2+]CC1 ZINC001548584211 923408440 /nfs/dbraw/zinc/40/84/40/923408440.db2.gz PLSXWJSYSZKPQU-UHFFFAOYSA-N 2 0 273.340 -0.031 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C)[NH+](C)C1CC1 ZINC001548640224 923422548 /nfs/dbraw/zinc/42/25/48/923422548.db2.gz PITXVFDAXWFECC-SCRDCRAPSA-N 2 0 280.416 -0.026 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)CC1 ZINC001548643795 923429932 /nfs/dbraw/zinc/42/99/32/923429932.db2.gz VIMBKAKZMUKPLJ-KBPBESRZSA-N 2 0 280.416 -0.071 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC1([NH+](C)C)CCC1 ZINC001548690496 923452348 /nfs/dbraw/zinc/45/23/48/923452348.db2.gz OWTPZQPASSHHRP-QWHCGFSZSA-N 2 0 280.416 -0.025 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001548747540 923491794 /nfs/dbraw/zinc/49/17/94/923491794.db2.gz PNQRQRDDOOIWNB-UKRRQHHQSA-N 2 0 299.415 -0.520 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]([NH3+])C3CCC3)C[C@@H]2[NH3+])cn1 ZINC001548944770 923515014 /nfs/dbraw/zinc/51/50/14/923515014.db2.gz LBSDFCZYQZDJIL-AVGNSLFASA-N 2 0 277.372 -0.199 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)CC3(C[NH3+])CC3)C[C@H]2[NH3+])cn1 ZINC001548945435 923516122 /nfs/dbraw/zinc/51/61/22/923516122.db2.gz PLORYNJCVCKUTA-VXGBXAGGSA-N 2 0 277.372 -0.198 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549024721 923523060 /nfs/dbraw/zinc/52/30/60/923523060.db2.gz GWZMPSLKSMLWDY-UPJWGTAASA-N 2 0 266.389 -0.652 20 0 CBADRP O=C(CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC001549043476 923525266 /nfs/dbraw/zinc/52/52/66/923525266.db2.gz KBOOSDPFQJJBFL-ZIAGYGMSSA-N 2 0 280.416 -0.118 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001549033498 923527565 /nfs/dbraw/zinc/52/75/65/923527565.db2.gz NUOHYNKPHOFVFU-XDTLVQLUSA-N 2 0 277.372 -0.186 20 0 CBADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001549044056 923529540 /nfs/dbraw/zinc/52/95/40/923529540.db2.gz XAKATJFBLAUGBG-KBPBESRZSA-N 3 0 280.416 -0.260 20 0 CBADRP O=C(CN1CC[C@]2(CCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC001549043996 923531547 /nfs/dbraw/zinc/53/15/47/923531547.db2.gz SRBQFMCUMHFFTO-CYBMUJFWSA-N 2 0 252.362 -0.754 20 0 CBADRP CC(C)(C)[C@@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549044525 923532098 /nfs/dbraw/zinc/53/20/98/923532098.db2.gz UFUORWCVYJJPIS-RYUDHWBXSA-N 2 0 268.405 -0.134 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1)C1CCOCC1 ZINC001549044977 923532891 /nfs/dbraw/zinc/53/28/91/923532891.db2.gz MLXLODYYEADVNP-UPJWGTAASA-N 2 0 283.372 -0.670 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549044739 923534529 /nfs/dbraw/zinc/53/45/29/923534529.db2.gz AOXGRBDUYJAERC-RHYQMDGZSA-N 2 0 253.346 -0.569 20 0 CBADRP [NH3+]CC1(C(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)CCOCC1 ZINC001549045018 923535387 /nfs/dbraw/zinc/53/53/87/923535387.db2.gz PMGHAEUCSSUQSZ-VXGBXAGGSA-N 2 0 283.372 -0.669 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549044709 923535449 /nfs/dbraw/zinc/53/54/49/923535449.db2.gz AOXGRBDUYJAERC-KXNHARMFSA-N 2 0 253.346 -0.569 20 0 CBADRP [NH3+]CC1(C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)CCOCC1 ZINC001549045016 923535887 /nfs/dbraw/zinc/53/58/87/923535887.db2.gz PMGHAEUCSSUQSZ-NWDGAFQWSA-N 2 0 283.372 -0.669 20 0 CBADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549044985 923537038 /nfs/dbraw/zinc/53/70/38/923537038.db2.gz NEYGLMHZWYNADQ-RYUDHWBXSA-N 2 0 291.355 -0.742 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549044742 923537323 /nfs/dbraw/zinc/53/73/23/923537323.db2.gz AOXGRBDUYJAERC-WRWGMCAJSA-N 2 0 253.346 -0.569 20 0 CBADRP O=C(CC1CC[NH2+]CC1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549045185 923539255 /nfs/dbraw/zinc/53/92/55/923539255.db2.gz JIBXWIVTUDEWPB-QWHCGFSZSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+][C@@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)C1CCOCC1 ZINC001549045501 923539870 /nfs/dbraw/zinc/53/98/70/923539870.db2.gz ATMLOXHBCVWBBG-UONOGXRCSA-N 2 0 296.415 -0.754 20 0 CBADRP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)C1 ZINC001549045229 923539927 /nfs/dbraw/zinc/53/99/27/923539927.db2.gz PISJICYUSPJXHX-IRCOFANPSA-N 2 0 253.346 -0.297 20 0 CBADRP O=C(CC[C@@H]1CC[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549045678 923540010 /nfs/dbraw/zinc/54/00/10/923540010.db2.gz GQBDGJPMWGKUQX-KGLIPLIRSA-N 2 0 280.416 -0.118 20 0 CBADRP CC(C)(C[NH3+])C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001549047136 923543165 /nfs/dbraw/zinc/54/31/65/923543165.db2.gz KYQNWKWKSJOBIY-LLVKDONJSA-N 2 0 280.376 -0.115 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)C[NH2+]C3CC3)C2)nn1 ZINC001549047551 923544566 /nfs/dbraw/zinc/54/45/66/923544566.db2.gz RKILAACMQGXPCE-GFCCVEGCSA-N 2 0 278.360 -0.348 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)C3([NH3+])CCC3)C2)nn1 ZINC001549047326 923544885 /nfs/dbraw/zinc/54/48/85/923544885.db2.gz PMGUCBBCVXLREX-LLVKDONJSA-N 2 0 278.360 -0.218 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3CC[NH2+]C3)C2)nn1 ZINC001549047626 923545574 /nfs/dbraw/zinc/54/55/74/923545574.db2.gz UYMGAERWNFSZEM-ZYHUDNBSSA-N 2 0 278.360 -0.490 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)CCC[NH3+])C[C@@H]2[NH3+])cn1 ZINC001549048001 923547207 /nfs/dbraw/zinc/54/72/07/923547207.db2.gz BFYLQJRORQWMJT-MNOVXSKESA-N 2 0 251.334 -0.588 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C[C@H]3CCC[NH2+]3)C[C@H]2[NH3+])cn1 ZINC001549048473 923547226 /nfs/dbraw/zinc/54/72/26/923547226.db2.gz MHZUMAPUNXUQDB-FRRDWIJNSA-N 2 0 277.372 -0.185 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C[C@@H]3CCC[NH2+]3)C[C@@H]2[NH3+])cn1 ZINC001549048472 923548198 /nfs/dbraw/zinc/54/81/98/923548198.db2.gz MHZUMAPUNXUQDB-AVGNSLFASA-N 2 0 277.372 -0.185 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)C3([NH3+])CCCC3)C[C@H]2[NH3+])cn1 ZINC001549048479 923548378 /nfs/dbraw/zinc/54/83/78/923548378.db2.gz MLUSVHHTTOXHAR-VXGBXAGGSA-N 2 0 277.372 -0.055 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)CC3([NH3+])CCC3)C[C@H]2[NH3+])cn1 ZINC001549051955 923549114 /nfs/dbraw/zinc/54/91/14/923549114.db2.gz VFWBSTQENJRQQL-NWDGAFQWSA-N 2 0 277.372 -0.055 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)C3([NH3+])CCC3)C[C@@H]2[NH3+])cn1 ZINC001549050318 923549343 /nfs/dbraw/zinc/54/93/43/923549343.db2.gz JVPPOJIIIAOYJQ-MNOVXSKESA-N 2 0 263.345 -0.445 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C3([NH3+])CCC3)C[C@@H]2[NH3+])cn1 ZINC001549050319 923549793 /nfs/dbraw/zinc/54/97/93/923549793.db2.gz JVPPOJIIIAOYJQ-QWRGUYRKSA-N 2 0 263.345 -0.445 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@]34CC[NH2+]C4)C[C@@H]2[NH3+])cn1 ZINC001549052168 923549820 /nfs/dbraw/zinc/54/98/20/923549820.db2.gz WDQAYEKPSMSHGG-ABHRYQDASA-N 2 0 289.383 -0.327 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C[C@@H]2[NH3+])cn1 ZINC001549052882 923554082 /nfs/dbraw/zinc/55/40/82/923554082.db2.gz ZEMONARGQZMBNZ-FPYNETTCSA-N 2 0 275.356 -0.861 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(CC(=O)N1CC[NH2+]CC1)C2 ZINC001549113688 923557688 /nfs/dbraw/zinc/55/76/88/923557688.db2.gz OUDNMIRXIWNZIL-OCCSQVGLSA-N 2 0 266.389 -0.521 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC001549132508 923559664 /nfs/dbraw/zinc/55/96/64/923559664.db2.gz FGRAZTSWWJYUTI-WUHRBBMRSA-N 2 0 285.388 -0.153 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001549124758 923559722 /nfs/dbraw/zinc/55/97/22/923559722.db2.gz ZRLONGRSHQIOPB-CYDGBPFRSA-N 2 0 285.388 -0.295 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)N1CC[N@@H+]2C[C@@H](O)C[C@H]2C1 ZINC001549212435 923570749 /nfs/dbraw/zinc/57/07/49/923570749.db2.gz FUWSAQSJARAZLG-ATJQQHLPSA-N 2 0 280.372 -0.801 20 0 CBADRP C[C@@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC001549212007 923571549 /nfs/dbraw/zinc/57/15/49/923571549.db2.gz RSYXYIGICJEEPZ-UQJCBBSYSA-N 2 0 296.415 -0.165 20 0 CBADRP O[C@@H]1C[C@@H]2CN(C[C@H]3CCC4(C[NH2+]C4)O3)CC[N@@H+]2C1 ZINC001549284318 923578755 /nfs/dbraw/zinc/57/87/55/923578755.db2.gz UKANGNVMQXWQQQ-JHJVBQTASA-N 2 0 267.373 -0.742 20 0 CBADRP O=C([C@@H]1CCCC[NH2+]C1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549292332 923579759 /nfs/dbraw/zinc/57/97/59/923579759.db2.gz AWBOHAUZGKZPTP-JHJVBQTASA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C[C@H]1F)NC[C@@H]1C[NH2+]CCCO1 ZINC001549291628 923580908 /nfs/dbraw/zinc/58/09/08/923580908.db2.gz HBKRHCVBUYKINV-SDDRHHMPSA-N 2 0 273.352 -0.181 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CCCO1 ZINC001549292818 923582106 /nfs/dbraw/zinc/58/21/06/923582106.db2.gz SCXBCOWSSKJKLR-QWRGUYRKSA-N 2 0 293.371 -0.324 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)CC3([NH3+])CC3)C2)nn1 ZINC001549293338 923582434 /nfs/dbraw/zinc/58/24/34/923582434.db2.gz MNNUZYLCWOYNON-NSHDSACASA-N 2 0 278.360 -0.218 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nn1 ZINC001549293959 923583830 /nfs/dbraw/zinc/58/38/30/923583830.db2.gz UOOLSLBWNPTSQN-RYUDHWBXSA-N 2 0 292.387 -0.302 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001549294338 923585500 /nfs/dbraw/zinc/58/55/00/923585500.db2.gz XIGDWDZFQZYADJ-WDEREUQCSA-N 2 0 293.371 -0.405 20 0 CBADRP C[C@H]([NH3+])CC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549727993 923630406 /nfs/dbraw/zinc/63/04/06/923630406.db2.gz FBLVYTAIRYAZGO-DRCTWCGVSA-N 2 0 282.388 -0.513 20 0 CBADRP [NH3+][C@H]1C[C@H]1C(=O)NCc1cccc(N2CC[C@@H]([NH3+])C2)n1 ZINC001549726701 923630641 /nfs/dbraw/zinc/63/06/41/923630641.db2.gz OQBMNIVVLPFDNH-JLLWLGSASA-N 2 0 275.356 -0.418 20 0 CBADRP C[C@H]([NH3+])CC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549727995 923630694 /nfs/dbraw/zinc/63/06/94/923630694.db2.gz FBLVYTAIRYAZGO-NURSFMCSSA-N 2 0 282.388 -0.513 20 0 CBADRP C[NH2+][C@H](C)C(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1 ZINC001549731949 923632554 /nfs/dbraw/zinc/63/25/54/923632554.db2.gz BXHSOSXNGROTPF-BBBLOLIVSA-N 2 0 251.334 -0.719 20 0 CBADRP O=C(Nc1c[nH]nc1[C@H]1CC[NH2+]C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001549731847 923632569 /nfs/dbraw/zinc/63/25/69/923632569.db2.gz QPQAKDKDLZKXMO-WYOJIJJFSA-N 2 0 261.329 -0.110 20 0 CBADRP C[NH+](C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549731111 923632719 /nfs/dbraw/zinc/63/27/19/923632719.db2.gz LTRLPYCFKXNEFV-RISCZKNCSA-N 2 0 282.388 -0.689 20 0 CBADRP CC[C@H]([NH3+])C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549728986 923632861 /nfs/dbraw/zinc/63/28/61/923632861.db2.gz WNAHJTSWDWUXDA-GMXVVIOVSA-N 2 0 282.388 -0.513 20 0 CBADRP C[NH2+]CCC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549729206 923633429 /nfs/dbraw/zinc/63/34/29/923633429.db2.gz DIMFICCWXKDPNT-BXUZGUMPSA-N 2 0 282.388 -0.641 20 0 CBADRP CC[C@H]([NH3+])C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549728993 923633438 /nfs/dbraw/zinc/63/34/38/923633438.db2.gz WNAHJTSWDWUXDA-LOWVWBTDSA-N 2 0 282.388 -0.513 20 0 CBADRP C[NH2+][C@H](C)C(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549731952 923633476 /nfs/dbraw/zinc/63/34/76/923633476.db2.gz BXHSOSXNGROTPF-UTLUCORTSA-N 2 0 251.334 -0.719 20 0 CBADRP CC(C)[NH2+]CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH3+])C1 ZINC001549731905 923633711 /nfs/dbraw/zinc/63/37/11/923633711.db2.gz BGRZTRBGLMRHSG-GHMZBOCLSA-N 2 0 265.361 -0.329 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@]3(C)C[NH2+]CCO3)C[C@H]2[NH3+])c1 ZINC001549732553 923633756 /nfs/dbraw/zinc/63/37/56/923633756.db2.gz DPQLTBRZOQYOAQ-JTNHKYCSSA-N 2 0 293.371 -0.948 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549735385 923635025 /nfs/dbraw/zinc/63/50/25/923635025.db2.gz KDMDYBFPJBKUCO-NHCYSSNCSA-N 2 0 265.361 -0.344 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1 ZINC001549735133 923635316 /nfs/dbraw/zinc/63/53/16/923635316.db2.gz JBZYWIRSJFWLLH-AXFHLTTASA-N 2 0 265.361 -0.471 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH3+])C1 ZINC001549741265 923637422 /nfs/dbraw/zinc/63/74/22/923637422.db2.gz YTAZWYROVNKBAA-MXWKQRLJSA-N 2 0 265.361 -0.329 20 0 CBADRP [NH3+]C1CC(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001549739279 923637707 /nfs/dbraw/zinc/63/77/07/923637707.db2.gz OWBNBWNMRUUCSX-BUCSNLDVSA-N 2 0 294.399 -0.513 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3[NH2+]CC3(C)C)C[C@@H]2[NH3+])c1 ZINC001549741244 923638326 /nfs/dbraw/zinc/63/83/26/923638326.db2.gz QPSLPHNLBYOBJU-JFGNBEQYSA-N 2 0 277.372 -0.329 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N2C[C@H]([NH3+])[C@@H](c3cn(C)cn3)C2)O1 ZINC001549741284 923638495 /nfs/dbraw/zinc/63/84/95/923638495.db2.gz YXXUEFQYZVDDPR-MPPDQPJWSA-N 2 0 293.371 -0.950 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549742782 923638985 /nfs/dbraw/zinc/63/89/85/923638985.db2.gz UMDLRXZFMOASJW-NOOOWODRSA-N 2 0 277.372 -0.471 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1 ZINC001549745364 923639769 /nfs/dbraw/zinc/63/97/69/923639769.db2.gz YLAUXTDCXJIBSX-MMWGEVLESA-N 2 0 265.361 -0.344 20 0 CBADRP Cn1nnnc1CC[N@@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549776477 923643229 /nfs/dbraw/zinc/64/32/29/923643229.db2.gz SJBDCPWRAWZZFG-CMPLNLGQSA-N 2 0 250.350 -0.187 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3C[NH3+])CC[C@H]21 ZINC001549883663 923645676 /nfs/dbraw/zinc/64/56/76/923645676.db2.gz VROGXJJOFUOARI-FDYHWXHSSA-N 2 0 267.373 -0.097 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[C@]2(C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)C1 ZINC001549901590 923647445 /nfs/dbraw/zinc/64/74/45/923647445.db2.gz DTHMKUKOBBZZMK-DIACKHNESA-N 2 0 265.357 -0.297 20 0 CBADRP C[C@H](C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001549995596 923658322 /nfs/dbraw/zinc/65/83/22/923658322.db2.gz KOSKGEFQSZGCHR-CHWSQXEVSA-N 2 0 268.405 -0.215 20 0 CBADRP [NH3+]C1(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCOCC1 ZINC001550074009 923666190 /nfs/dbraw/zinc/66/61/90/923666190.db2.gz RBOIGOSIRXQPMM-SNVBAGLBSA-N 2 0 253.346 -0.105 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC001550076448 923666490 /nfs/dbraw/zinc/66/64/90/923666490.db2.gz YMHBIQNZQGTXJM-QWHCGFSZSA-N 2 0 297.399 -0.578 20 0 CBADRP C[C@]1(C(=O)N2C[C@H]3CCC[C@]3(C[NH3+])C2)C[NH2+]CCO1 ZINC001550068544 923667163 /nfs/dbraw/zinc/66/71/63/923667163.db2.gz OCOXASVRKJKXNO-BNOWGMLFSA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NC[C@@H]2CC23CC[NH2+]CC3)nn1 ZINC001550082710 923668888 /nfs/dbraw/zinc/66/88/88/923668888.db2.gz UTRTUJWTZPRZRW-NSHDSACASA-N 2 0 292.387 -0.254 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](C(=O)NC[C@@H]2CC23CC[NH2+]CC3)O1 ZINC001550083258 923669124 /nfs/dbraw/zinc/66/91/24/923669124.db2.gz YZAJGIBVAPTWLW-WOPDTQHZSA-N 2 0 267.373 -0.131 20 0 CBADRP CC(=O)N1CC[C@@]([NH3+])(C(=O)NC[C@H]2CC23CC[NH2+]CC3)C1 ZINC001550080512 923669900 /nfs/dbraw/zinc/66/99/00/923669900.db2.gz JYFDRCNPWAJKLO-DOMZBBRYSA-N 2 0 294.399 -0.558 20 0 CBADRP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001550077250 923669923 /nfs/dbraw/zinc/66/99/23/923669923.db2.gz XKYQKSRKFJGKEK-RYUDHWBXSA-N 2 0 277.324 -0.170 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]1C(=O)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550080007 923670576 /nfs/dbraw/zinc/67/05/76/923670576.db2.gz FUTYBAJZGMCYNH-GMTAPVOTSA-N 2 0 253.346 -0.392 20 0 CBADRP CC(=O)N1CC[C@]([NH3+])(C(=O)NC[C@H]2CC23CC[NH2+]CC3)C1 ZINC001550080516 923670706 /nfs/dbraw/zinc/67/07/06/923670706.db2.gz JYFDRCNPWAJKLO-IUODEOHRSA-N 2 0 294.399 -0.558 20 0 CBADRP CCC[C@](C)([NH3+])C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550088341 923671656 /nfs/dbraw/zinc/67/16/56/923671656.db2.gz NNAHWOCFWKYSIF-YPMHNXCESA-N 2 0 280.376 -0.054 20 0 CBADRP [NH3+][C@@H]1CC[C@H](C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC001550087656 923671702 /nfs/dbraw/zinc/67/17/02/923671702.db2.gz ASCJDGTVVFLUEM-HOSYDEDBSA-N 2 0 278.360 -0.444 20 0 CBADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1CCCCC[NH2+]1 ZINC001550087603 923671873 /nfs/dbraw/zinc/67/18/73/923671873.db2.gz YZSFYTVPDPXNIZ-OLZOCXBDSA-N 2 0 292.387 -0.039 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]1CC(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087610 923672562 /nfs/dbraw/zinc/67/25/62/923672562.db2.gz ZAMUSAKNONHHPD-RAIGVLPGSA-N 2 0 292.387 -0.054 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001550090192 923674652 /nfs/dbraw/zinc/67/46/52/923674652.db2.gz PXWVTZKSJMYOSB-FRRDWIJNSA-N 2 0 267.373 -0.049 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550089955 923675347 /nfs/dbraw/zinc/67/53/47/923675347.db2.gz YHPTYXDZWIRCHH-VXGBXAGGSA-N 2 0 267.373 -0.129 20 0 CBADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@@H]1CCC[NH2+]1 ZINC001550088467 923675800 /nfs/dbraw/zinc/67/58/00/923675800.db2.gz PSTKMJGTUNYMGN-QWRGUYRKSA-N 2 0 264.333 -0.819 20 0 CBADRP C[C@H]([NH3+])CC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001550092855 923678660 /nfs/dbraw/zinc/67/86/60/923678660.db2.gz PPYJGIYBGIRZPT-JQWIXIFHSA-N 2 0 282.388 -0.465 20 0 CBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3CC[NH2+]C3)CC2)C1=O ZINC001550093152 923679341 /nfs/dbraw/zinc/67/93/41/923679341.db2.gz XZSVLCXMQPDSAR-YPMHNXCESA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@]1(C(=O)N2CC[C@H](n3cc(C[NH3+])nn3)C2)CCC[NH2+]1 ZINC001550094880 923680142 /nfs/dbraw/zinc/68/01/42/923680142.db2.gz ZAZKOKPRWULFLM-WCQYABFASA-N 2 0 278.360 -0.348 20 0 CBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3CC[NH2+]C3)CC2)C1=O ZINC001550093149 923680321 /nfs/dbraw/zinc/68/03/21/923680321.db2.gz XZSVLCXMQPDSAR-AAEUAGOBSA-N 2 0 294.399 -0.593 20 0 CBADRP CC[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001550092483 923680427 /nfs/dbraw/zinc/68/04/27/923680427.db2.gz HAOFBHHULHOIHH-VXGBXAGGSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H]1[C@@H](C(=O)N2CC[C@H](n3cc(C[NH3+])nn3)C2)CC[N@@H+]1C ZINC001550096574 923680444 /nfs/dbraw/zinc/68/04/44/923680444.db2.gz LISYPGKNFMCJFW-WXHSDQCUSA-N 2 0 292.387 -0.150 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCN(C(=O)C[C@H]3CCC[NH2+]3)C2)nn1 ZINC001550097234 923681110 /nfs/dbraw/zinc/68/11/10/923681110.db2.gz FAOBSNYMPRVNJN-ZYHUDNBSSA-N 2 0 278.360 -0.348 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001550097062 923681284 /nfs/dbraw/zinc/68/12/84/923681284.db2.gz XSKDHXQSVZGLOY-QWRGUYRKSA-N 2 0 266.349 -0.492 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCCC[NH2+]3)C2)nn1 ZINC001550097508 923681305 /nfs/dbraw/zinc/68/13/05/923681305.db2.gz SFNBITCMRAUYMD-VXGBXAGGSA-N 2 0 278.360 -0.348 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC001550097491 923681924 /nfs/dbraw/zinc/68/19/24/923681924.db2.gz OURBWANQRJYTBH-PWSUYJOCSA-N 2 0 278.360 -0.490 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001550097063 923682029 /nfs/dbraw/zinc/68/20/29/923682029.db2.gz XSKDHXQSVZGLOY-WDEREUQCSA-N 2 0 266.349 -0.492 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(CCC[NH3+])nn3)CC[C@@H]21 ZINC001550104435 923683329 /nfs/dbraw/zinc/68/33/29/923683329.db2.gz NISGYORBLWEFTL-YPMHNXCESA-N 2 0 292.387 -0.207 20 0 CBADRP CO[C@@H]1C[NH2+][C@H](C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC001550103703 923683797 /nfs/dbraw/zinc/68/37/97/923683797.db2.gz HAGXLVGWXYMOSL-MROQNXINSA-N 2 0 267.373 -0.084 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(CC[NH3+])nn3)CC[C@@H]21 ZINC001550104397 923684502 /nfs/dbraw/zinc/68/45/02/923684502.db2.gz MQWVEHJGJPESJH-PWSUYJOCSA-N 2 0 278.360 -0.597 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3[C@@H](C[NH3+])C3(F)F)C[C@@H]2[NH3+])c1 ZINC001550113078 923686118 /nfs/dbraw/zinc/68/61/18/923686118.db2.gz QEOXBQGSPUZDRZ-REIXXSIJSA-N 2 0 299.325 -0.487 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550112458 923686151 /nfs/dbraw/zinc/68/61/51/923686151.db2.gz HYRXNTKXFKPHTO-IJLUTSLNSA-N 2 0 283.372 -0.623 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)nn1 ZINC001550110308 923686320 /nfs/dbraw/zinc/68/63/20/923686320.db2.gz UGRBMGAHTQLETF-ZYHUDNBSSA-N 2 0 278.360 -0.407 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)nn1 ZINC001550110307 923686498 /nfs/dbraw/zinc/68/64/98/923686498.db2.gz UGRBMGAHTQLETF-PWSUYJOCSA-N 2 0 278.360 -0.407 20 0 CBADRP O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[NH2+]CCOC1 ZINC001550108276 923686727 /nfs/dbraw/zinc/68/67/27/923686727.db2.gz NCXXZTNZNKYRHZ-HYWTVENDSA-N 2 0 267.373 -0.131 20 0 CBADRP C[C@H](C(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1)[NH+](C)C ZINC001550112873 923686911 /nfs/dbraw/zinc/68/69/11/923686911.db2.gz LOYPUMZVORCYKB-MXWKQRLJSA-N 2 0 265.361 -0.377 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550112460 923687769 /nfs/dbraw/zinc/68/77/69/923687769.db2.gz HYRXNTKXFKPHTO-QJPTWQEYSA-N 2 0 283.372 -0.623 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]([NH3+])C3CCC3)C2)CC1 ZINC001550117145 923691043 /nfs/dbraw/zinc/69/10/43/923691043.db2.gz WHBWQQFHPRKDPK-KBPBESRZSA-N 2 0 280.416 -0.038 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550116800 923691944 /nfs/dbraw/zinc/69/19/44/923691944.db2.gz RVRWNAJCLNXCEE-CHWSQXEVSA-N 2 0 268.405 -0.182 20 0 CBADRP C[C@]12C[NH2+]C[C@@H]1CN(C(=O)[C@H]1C[NH2+]CCOC1)C2 ZINC001550117460 923692052 /nfs/dbraw/zinc/69/20/52/923692052.db2.gz VOUHJYGTSSQNQA-DMDPSCGWSA-N 2 0 253.346 -0.710 20 0 CBADRP [NH3+]CC12CC(NC(=O)CO[C@@H]3CCC[NH2+]C3)(C1)C2 ZINC001550120486 923696898 /nfs/dbraw/zinc/69/68/98/923696898.db2.gz QPPIVWMGADBGLY-QFWMXSHPSA-N 2 0 253.346 -0.247 20 0 CBADRP F[C@@H]1C[NH2+][C@@H](CN2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC001550174814 923704123 /nfs/dbraw/zinc/70/41/23/923704123.db2.gz HBRSCGLWGSEFIE-XQQFMLRXSA-N 2 0 256.369 -0.334 20 0 CBADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@H]2C[C@H]2[NH3+])CC1 ZINC001550204866 923709081 /nfs/dbraw/zinc/70/90/81/923709081.db2.gz UATYXVKIPQIBLF-NWDGAFQWSA-N 2 0 294.399 -0.334 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]([NH3+])CC3CC3)C[C@@H]2[NH3+])c1 ZINC001550196630 923710853 /nfs/dbraw/zinc/71/08/53/923710853.db2.gz YDFDGVREBFGLQL-UTUOFQBUSA-N 2 0 277.372 -0.199 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC3(C)C)C[C@@H]2[NH3+])c1 ZINC001550195024 923710879 /nfs/dbraw/zinc/71/08/79/923710879.db2.gz UBILTBPPNAZCDT-WOPDTQHZSA-N 2 0 291.399 -0.081 20 0 CBADRP [NH3+][C@@H]1COCC[C@H]1NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001550269562 923712040 /nfs/dbraw/zinc/71/20/40/923712040.db2.gz GGFOANRQTHINHZ-GMTAPVOTSA-N 2 0 268.361 -0.314 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)N2C[C@@H](N)[C@@H]([NH3+])C2)C1 ZINC001550274483 923712440 /nfs/dbraw/zinc/71/24/40/923712440.db2.gz GMQIDCRXEYXCJW-MXWKQRLJSA-N 2 0 269.393 -0.556 20 0 CBADRP [NH3+][C@H]1COCC[C@H]1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC001550269216 923713486 /nfs/dbraw/zinc/71/34/86/923713486.db2.gz VPFOCFFSXLCNOJ-MBPTXSFVSA-N 2 0 254.334 -0.846 20 0 CBADRP N[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@H]1[NH3+] ZINC001550268616 923713774 /nfs/dbraw/zinc/71/37/74/923713774.db2.gz YRNVWKBHVSJKPA-FDYHWXHSSA-N 2 0 281.404 -0.317 20 0 CBADRP N[C@@H]1CN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)C[C@H]1[NH3+] ZINC001550267342 923714157 /nfs/dbraw/zinc/71/41/57/923714157.db2.gz UUOCKGXCXSFESH-MGPQQGTHSA-N 2 0 289.383 -0.447 20 0 CBADRP c1cc(CN[C@H]2C[NH2+]CCOC2)c(O[C@@H]2CC[NH2+]C2)cn1 ZINC001550474907 923728974 /nfs/dbraw/zinc/72/89/74/923728974.db2.gz OGPLEKPNICQSFX-UONOGXRCSA-N 2 0 292.383 -0.100 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CCCO1 ZINC001550720641 923738245 /nfs/dbraw/zinc/73/82/45/923738245.db2.gz LDSCVIGWOJCMHA-WISYIIOYSA-N 2 0 269.345 -0.918 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC001550720652 923738318 /nfs/dbraw/zinc/73/83/18/923738318.db2.gz LFAYYBLVKBYQFL-MNXVOIDGSA-N 2 0 265.357 -0.140 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001550732850 923740148 /nfs/dbraw/zinc/74/01/48/923740148.db2.gz UOONTZQRBGZFGP-GHMZBOCLSA-N 2 0 270.377 -0.338 20 0 CBADRP [NH3+][C@]12CC[C@H]1CN(C(=O)NC[C@@H]1C[NH2+]CCCO1)C2 ZINC001550731992 923740279 /nfs/dbraw/zinc/74/02/79/923740279.db2.gz CRAZOSBKBVHFGE-GVXVVHGQSA-N 2 0 268.361 -0.502 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC[C@@H]1C[NH3+] ZINC001550731172 923740372 /nfs/dbraw/zinc/74/03/72/923740372.db2.gz LDWWLGINIUKGPR-JHJVBQTASA-N 2 0 284.404 -0.009 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)C[C@@H]1[NH3+] ZINC001550731769 923740418 /nfs/dbraw/zinc/74/04/18/923740418.db2.gz NYKHBJZFRIUFPR-VWYCJHECSA-N 2 0 256.350 -0.647 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1CCC[NH2+]C[C@H]1F ZINC001550731467 923741710 /nfs/dbraw/zinc/74/17/10/923741710.db2.gz APXJEIHPBZEPIX-QJPTWQEYSA-N 2 0 288.367 -0.246 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC001550729852 923741740 /nfs/dbraw/zinc/74/17/40/923741740.db2.gz BEISHSALCAXMHO-AVGNSLFASA-N 2 0 282.388 -0.242 20 0 CBADRP CO[C@@H]1C[C@H](C[NH3+])N(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC001550740860 923743131 /nfs/dbraw/zinc/74/31/31/923743131.db2.gz HSVLEDCAXJGDBY-QRVCZOOMSA-N 2 0 268.361 -0.504 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[NH2+]C[C@@H](O)C1 ZINC001550742842 923743637 /nfs/dbraw/zinc/74/36/37/923743637.db2.gz FGODZKXRDGTFDU-GHMZBOCLSA-N 2 0 268.361 -0.753 20 0 CBADRP [NH3+]C[C@@]12CC[C@@H](CN1C(=O)NC[C@H]1C[NH2+]CCCO1)C2 ZINC001550734571 923744373 /nfs/dbraw/zinc/74/43/73/923744373.db2.gz JWXYBLDYVNQTRP-BZPMIXESSA-N 2 0 282.388 -0.112 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001550756217 923746434 /nfs/dbraw/zinc/74/64/34/923746434.db2.gz PJRRVEMZKFIOGQ-NEPJUHHUSA-N 2 0 282.388 -0.112 20 0 CBADRP CCCNC(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001550913916 923754972 /nfs/dbraw/zinc/75/49/72/923754972.db2.gz RDNFGORYAJADSH-WFASDCNBSA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)[C@@]12C[N@H+](CC3CC([NH3+])C3)C[C@H]1COCC2 ZINC001551412502 923781722 /nfs/dbraw/zinc/78/17/22/923781722.db2.gz VKXISGRNWQUHSL-KMMRNIFNSA-N 2 0 267.373 -0.192 20 0 CBADRP [NH3+][C@@H]1C[C@H]1C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001551464877 923796226 /nfs/dbraw/zinc/79/62/26/923796226.db2.gz ZKWPXDKIQOBPHZ-GHMZBOCLSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+][C@@H]1CC12CC(NC(=O)N1C[C@H]3CC[C@]3([NH3+])C1)C2 ZINC001551569395 923803742 /nfs/dbraw/zinc/80/37/42/923803742.db2.gz OTAANKGTSYNWCD-XNABABGXSA-N 2 0 250.346 -0.001 20 0 CBADRP [NH3+][C@@H]1CC12CCC(NC(=O)N1CC[NH2+]C[C@@H](O)C1)CC2 ZINC001551567661 923804854 /nfs/dbraw/zinc/80/48/54/923804854.db2.gz RWJXHTAWNPQTTH-CBKZZEEASA-N 2 0 282.388 -0.378 20 0 CBADRP [NH3+][C@@H]1CC12CCC(NC(=O)N1CC[NH2+]C[C@H](O)C1)CC2 ZINC001551567664 923805566 /nfs/dbraw/zinc/80/55/66/923805566.db2.gz RWJXHTAWNPQTTH-MRFPXMQZSA-N 2 0 282.388 -0.378 20 0 CBADRP [NH3+][C@@H]1CC12CC(NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)C2 ZINC001551572849 923806171 /nfs/dbraw/zinc/80/61/71/923806171.db2.gz DFYPQXUTYVXCDN-SQGHXRTGSA-N 2 0 256.325 -0.053 20 0 CBADRP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC1CC2(C[C@@H]2[NH3+])C1 ZINC001551618848 923809583 /nfs/dbraw/zinc/80/95/83/923809583.db2.gz YWVKTNYICNILDW-AXLADZDYSA-N 2 0 296.415 -0.037 20 0 CBADRP CC(C)(CC[NH3+])NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552090001 923830580 /nfs/dbraw/zinc/83/05/80/923830580.db2.gz KMAQLHDFEVBSGA-SECBINFHSA-N 2 0 266.349 -0.330 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001552106261 923834863 /nfs/dbraw/zinc/83/48/63/923834863.db2.gz IROFYMZHUIRYRZ-KGYLQXTDSA-N 2 0 294.403 -0.194 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@@H]2C2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC001552158603 923836805 /nfs/dbraw/zinc/83/68/05/923836805.db2.gz NIYBDIZYCRIQMU-BFHYXJOUSA-N 2 0 280.416 -0.277 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552161365 923838992 /nfs/dbraw/zinc/83/89/92/923838992.db2.gz MALGIMNHDLLOQJ-UWVGGRQHSA-N 2 0 264.333 -0.754 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552161366 923839103 /nfs/dbraw/zinc/83/91/03/923839103.db2.gz MALGIMNHDLLOQJ-VHSXEESVSA-N 2 0 264.333 -0.754 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC12CC2 ZINC001552159828 923839701 /nfs/dbraw/zinc/83/97/01/923839701.db2.gz AVVKPOUCJKODEZ-GXSJLCMTSA-N 2 0 276.344 -0.624 20 0 CBADRP CN(C(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[C@H]1CC[NH2+]C1 ZINC001552160871 923839921 /nfs/dbraw/zinc/83/99/21/923839921.db2.gz MUQAVQZRLJEQPT-UWVGGRQHSA-N 2 0 264.333 -0.754 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552160480 923840170 /nfs/dbraw/zinc/84/01/70/923840170.db2.gz GGMCLSYFTOTWQX-JTQLQIEISA-N 2 0 280.376 -0.131 20 0 CBADRP [NH3+]C[C@@H]1CCCN1C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552160763 923840218 /nfs/dbraw/zinc/84/02/18/923840218.db2.gz JDDVAJDAJCXRHB-VHSXEESVSA-N 2 0 264.333 -0.624 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H]([NH3+])C2CC2)cnn1C ZINC001552161412 923840513 /nfs/dbraw/zinc/84/05/13/923840513.db2.gz NITPPKRSLKJCIB-MELADBBJSA-N 2 0 291.399 -0.115 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)C[C@H]12 ZINC001552161314 923840569 /nfs/dbraw/zinc/84/05/69/923840569.db2.gz LQGCIWNMLLMCBM-WISYIIOYSA-N 2 0 290.371 -0.378 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CCC[NH2+]CC2)cnn1C ZINC001552162903 923841469 /nfs/dbraw/zinc/84/14/69/923841469.db2.gz NNRXHOCYZGIGPK-KBPBESRZSA-N 2 0 291.399 -0.147 20 0 CBADRP [NH3+]C[C@@H]1C[C@H](F)CN1C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552162535 923841726 /nfs/dbraw/zinc/84/17/26/923841726.db2.gz ASLVNTJAVOLWGX-GUBZILKMSA-N 2 0 282.323 -0.676 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC001552163245 923841802 /nfs/dbraw/zinc/84/18/02/923841802.db2.gz XDBHODSXZOKZNQ-NXEZZACHSA-N 2 0 264.333 -0.624 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CCC[NH2+]CC2)cnn1C ZINC001552162912 923841957 /nfs/dbraw/zinc/84/19/57/923841957.db2.gz NNRXHOCYZGIGPK-UONOGXRCSA-N 2 0 291.399 -0.147 20 0 CBADRP C[C@H]1CN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC[NH2+]1 ZINC001552163170 923842079 /nfs/dbraw/zinc/84/20/79/923842079.db2.gz XHWAUGFCTWGTPL-UWVGGRQHSA-N 2 0 264.333 -0.754 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@H]2c2cnn(C)c2C)C1 ZINC001552162725 923842372 /nfs/dbraw/zinc/84/23/72/923842372.db2.gz GTLKEMHIXOPCFL-XBFCOCLRSA-N 2 0 291.399 -0.148 20 0 CBADRP C[C@H](NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[C@@H]1CCC[NH2+]C1 ZINC001552163513 923842668 /nfs/dbraw/zinc/84/26/68/923842668.db2.gz SESUSHDEIVWJLJ-TUAOUCFPSA-N 2 0 292.387 -0.070 20 0 CBADRP C[C@H]1CN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC[NH2+]1 ZINC001552163172 923842739 /nfs/dbraw/zinc/84/27/39/923842739.db2.gz XHWAUGFCTWGTPL-VHSXEESVSA-N 2 0 264.333 -0.754 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552162412 923842778 /nfs/dbraw/zinc/84/27/78/923842778.db2.gz ZEXRJHSPPXXTMK-RKDXNWHRSA-N 2 0 252.322 -0.720 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552162890 923842935 /nfs/dbraw/zinc/84/29/35/923842935.db2.gz RFBWKCXLOQNZIR-BDAKNGLRSA-N 2 0 252.322 -0.768 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NCC[C@H](C)[NH3+])cnn1C ZINC001552163704 923842998 /nfs/dbraw/zinc/84/29/98/923842998.db2.gz UFJMUFQDAILXJK-TVYUQYBPSA-N 2 0 279.388 -0.115 20 0 CBADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC2CC[NH2+]CC2)cnn1C ZINC001552162528 923843216 /nfs/dbraw/zinc/84/32/16/923843216.db2.gz BDDPHPMVOOJATF-KGLIPLIRSA-N 2 0 291.399 -0.100 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2C)C1 ZINC001552162719 923843222 /nfs/dbraw/zinc/84/32/22/923843222.db2.gz GTLKEMHIXOPCFL-BNOWGMLFSA-N 2 0 291.399 -0.148 20 0 CBADRP CN(C(=O)c1cn([C@H]2CC[NH2+]C2)nn1)C1(C[NH3+])CCC1 ZINC001552164600 923843824 /nfs/dbraw/zinc/84/38/24/923843824.db2.gz YNYZFBGEPZNQRR-JTQLQIEISA-N 2 0 278.360 -0.234 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552194072 923847534 /nfs/dbraw/zinc/84/75/34/923847534.db2.gz JVHQTSBCCVNLQX-ZKYQVNSYSA-N 2 0 267.373 -0.192 20 0 CBADRP [NH3+]C1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552193960 923847664 /nfs/dbraw/zinc/84/76/64/923847664.db2.gz HYZPRVBHIIILSL-PGHLRGPGSA-N 2 0 253.346 -0.392 20 0 CBADRP [NH3+]C[C@@]12CCC[C@@H]1CN(C(=O)NCC1C[NH2+]C1)C2 ZINC001552184796 923848451 /nfs/dbraw/zinc/84/84/51/923848451.db2.gz KTBMSHVUBSNNPH-DGCLKSJQSA-N 2 0 252.362 -0.024 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CCOCC1 ZINC001552199979 923854955 /nfs/dbraw/zinc/85/49/55/923854955.db2.gz BCMPMCBBXHCJPD-IUODEOHRSA-N 2 0 297.399 -0.551 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552199770 923855212 /nfs/dbraw/zinc/85/52/12/923855212.db2.gz DASQMPGYHLQMAI-ZSEWYUTFSA-N 2 0 279.384 -0.179 20 0 CBADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552199749 923856838 /nfs/dbraw/zinc/85/68/38/923856838.db2.gz IFZQUBOIUHXKAZ-ZOWXZIJZSA-N 2 0 279.384 -0.177 20 0 CBADRP O=C(NCC[NH+]1CCCCC1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552199474 923857044 /nfs/dbraw/zinc/85/70/44/923857044.db2.gz GEGTVIDYJZQSNP-OCCSQVGLSA-N 2 0 267.373 -0.176 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552201998 923857973 /nfs/dbraw/zinc/85/79/73/923857973.db2.gz ZCODSBHEOOEZBL-MBNYWOFBSA-N 2 0 267.373 -0.320 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552201703 923858438 /nfs/dbraw/zinc/85/84/38/923858438.db2.gz SNVZKNSCNKJFGO-YRGRVCCFSA-N 2 0 267.373 -0.225 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552201123 923859199 /nfs/dbraw/zinc/85/91/99/923859199.db2.gz RQLLDVWHFHYYRB-DOMZBBRYSA-N 2 0 297.399 -0.551 20 0 CBADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552200973 923860093 /nfs/dbraw/zinc/86/00/93/923860093.db2.gz IUYYYTWCIDDARZ-NFAWXSAZSA-N 2 0 279.384 -0.177 20 0 CBADRP O=C(NCC[NH+]1CCCC1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552201113 923860251 /nfs/dbraw/zinc/86/02/51/923860251.db2.gz WQVQHKXYXPGQCG-WCQYABFASA-N 2 0 253.346 -0.566 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552200969 923860461 /nfs/dbraw/zinc/86/04/61/923860461.db2.gz YGQIOHFZACCAAZ-DOMZBBRYSA-N 2 0 297.399 -0.551 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]CC1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552202886 923862223 /nfs/dbraw/zinc/86/22/23/923862223.db2.gz RYPXWJBFAOXENQ-WZRBSPASSA-N 2 0 253.346 -0.519 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552202478 923862238 /nfs/dbraw/zinc/86/22/38/923862238.db2.gz GTTLDJYBYIKFEV-MPPDQPJWSA-N 2 0 253.346 -0.663 20 0 CBADRP O=C(N1CCC[C@]2(CC[NH2+]C2)C1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552202829 923863240 /nfs/dbraw/zinc/86/32/40/923863240.db2.gz QTULKJAIFQWRJU-YUELXQCFSA-N 2 0 279.384 -0.176 20 0 CBADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552202504 923863552 /nfs/dbraw/zinc/86/35/52/923863552.db2.gz HKZAHWPXMFEJLN-IAQYHMDHSA-N 2 0 288.351 -0.098 20 0 CBADRP CC1(CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC[NH2+]CC1 ZINC001552202267 923863802 /nfs/dbraw/zinc/86/38/02/923863802.db2.gz GGCOLOOYZSBNSH-RISCZKNCSA-N 2 0 267.373 -0.272 20 0 CBADRP C[NH+](C)C1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552203295 923864754 /nfs/dbraw/zinc/86/47/54/923864754.db2.gz ZHLURHBAOZLBLK-SMDDNHRTSA-N 2 0 267.373 -0.225 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552203261 923865615 /nfs/dbraw/zinc/86/56/15/923865615.db2.gz XJGKGMLILOIJDD-DCQANWLSSA-N 2 0 253.346 -0.392 20 0 CBADRP C[NH+](C)C1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552203294 923865971 /nfs/dbraw/zinc/86/59/71/923865971.db2.gz ZHLURHBAOZLBLK-RISCZKNCSA-N 2 0 267.373 -0.225 20 0 CBADRP C[NH+](C)[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552204076 923866064 /nfs/dbraw/zinc/86/60/64/923866064.db2.gz ODEXDNCVLSRJKJ-NQBHXWOUSA-N 2 0 253.346 -0.615 20 0 CBADRP C[NH+](C)C1CC(CNC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC001552210832 923867535 /nfs/dbraw/zinc/86/75/35/923867535.db2.gz QDCWYMVEBDBWFX-CXQJBGSLSA-N 2 0 255.362 -0.321 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552206045 923868089 /nfs/dbraw/zinc/86/80/89/923868089.db2.gz ZPQBBXSEZXESFS-OUCADQQQSA-N 2 0 267.373 -0.368 20 0 CBADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1C[NH2+]CCOC1 ZINC001552215181 923868282 /nfs/dbraw/zinc/86/82/82/923868282.db2.gz DWRCJXUGEYIVQW-JSGCOSHPSA-N 2 0 297.399 -0.408 20 0 CBADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1C[NH2+]CCOC1 ZINC001552215180 923868785 /nfs/dbraw/zinc/86/87/85/923868785.db2.gz DWRCJXUGEYIVQW-GXTWGEPZSA-N 2 0 297.399 -0.408 20 0 CBADRP C[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1COC2)C1CC[NH2+]CC1 ZINC001552259760 923873706 /nfs/dbraw/zinc/87/37/06/923873706.db2.gz QHCSXNPNWPOGIW-ZKYQVNSYSA-N 2 0 267.373 -0.273 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001552245617 923873792 /nfs/dbraw/zinc/87/37/92/923873792.db2.gz HYXPTKRZEQXVRQ-SRVKXCTJSA-N 2 0 270.377 -0.114 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001552245621 923874639 /nfs/dbraw/zinc/87/46/39/923874639.db2.gz HYXPTKRZEQXVRQ-WOPDTQHZSA-N 2 0 270.377 -0.114 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552273540 923876408 /nfs/dbraw/zinc/87/64/08/923876408.db2.gz FTHGZPKLXSRNSX-MPPDQPJWSA-N 2 0 253.346 -0.521 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C[C@@H]1C[NH3+] ZINC001552274152 923877103 /nfs/dbraw/zinc/87/71/03/923877103.db2.gz HQEQIXNVQNYDJD-VWYCJHECSA-N 2 0 278.360 -0.521 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552274646 923877252 /nfs/dbraw/zinc/87/72/52/923877252.db2.gz RHDGLKUEFCVTIM-VWYCJHECSA-N 2 0 278.360 -0.317 20 0 CBADRP Cc1c([C@H]2C[NH2+]C[C@H]2C(=O)NCC2CC([NH3+])C2)cnn1C ZINC001552273447 923877340 /nfs/dbraw/zinc/87/73/40/923877340.db2.gz PUVBOMZUNZRNON-GVOSGWPFSA-N 2 0 291.399 -0.115 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552274171 923878126 /nfs/dbraw/zinc/87/81/26/923878126.db2.gz HZEWYNDYMJIDIF-XXIIAIFYSA-N 2 0 265.357 -0.295 20 0 CBADRP [NH3+][C@@H]1CCCCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552276115 923878983 /nfs/dbraw/zinc/87/89/83/923878983.db2.gz HOUUFHKZMYFSBJ-YRGRVCCFSA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+][C@@H]1CCCCCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552276113 923879653 /nfs/dbraw/zinc/87/96/53/923879653.db2.gz HOUUFHKZMYFSBJ-BZPMIXESSA-N 2 0 267.373 -0.048 20 0 CBADRP N[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@@H]1[NH3+] ZINC001552282533 923879831 /nfs/dbraw/zinc/87/98/31/923879831.db2.gz LEJVJIWFGKDUHH-ZAYDVCEHSA-N 2 0 266.389 -0.363 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N(C)C[C@H](C)[NH3+])cnn1C ZINC001552276444 923880289 /nfs/dbraw/zinc/88/02/89/923880289.db2.gz LRDRUVMOYKLYMD-XDTLVQLUSA-N 2 0 279.388 -0.163 20 0 CBADRP CCC1([NH3+])CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552283904 923880638 /nfs/dbraw/zinc/88/06/38/923880638.db2.gz VIZQEWQDCMPTPA-RISCZKNCSA-N 2 0 267.373 -0.048 20 0 CBADRP N[C@@H]1CN(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C[C@@H]1[NH3+] ZINC001552293029 923882401 /nfs/dbraw/zinc/88/24/01/923882401.db2.gz NTLRGHWBBLNRLV-RQJABVFESA-N 2 0 295.431 -0.212 20 0 CBADRP N[C@@H]1CN(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C[C@@H]1[NH3+] ZINC001552291929 923882607 /nfs/dbraw/zinc/88/26/07/923882607.db2.gz FAVATPUUUPHEDG-ZDEQEGDKSA-N 2 0 281.404 -0.602 20 0 CBADRP N[C@@H]1CN(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C[C@@H]1[NH3+] ZINC001552293030 923883606 /nfs/dbraw/zinc/88/36/06/923883606.db2.gz NTLRGHWBBLNRLV-XDQVBPFNSA-N 2 0 295.431 -0.212 20 0 CBADRP C[C@@H]1CN(C(=O)N2C[C@@H](N)[C@H]([NH3+])C2)CC[N@@H+](C2CCC2)C1 ZINC001552293858 923884515 /nfs/dbraw/zinc/88/45/15/923884515.db2.gz WKEKQKQSYDNBNM-IACUBPJLSA-N 2 0 295.431 -0.117 20 0 CBADRP [NH3+]C1CC(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC001552340867 923887490 /nfs/dbraw/zinc/88/74/90/923887490.db2.gz CQUWJZKDDBTPCX-MCIGGMRASA-N 2 0 267.377 -0.835 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]C[C@H]2F)CCCO1 ZINC001552348476 923887631 /nfs/dbraw/zinc/88/76/31/923887631.db2.gz FZNHSNYRVMGBLV-OPRDCNLKSA-N 2 0 260.313 -0.945 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2[C@@H]3CCCC[NH2+][C@H]23)CCCO1 ZINC001552344529 923888290 /nfs/dbraw/zinc/88/82/90/923888290.db2.gz JQTQYOXWVPUTMS-FVCCEPFGSA-N 2 0 282.388 -0.114 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001552338307 923888302 /nfs/dbraw/zinc/88/83/02/923888302.db2.gz IVLXWSIZEFFEDM-JHJVBQTASA-N 2 0 284.404 -0.009 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC001552341068 923888589 /nfs/dbraw/zinc/88/85/89/923888589.db2.gz RHIOJHBMOHYOLM-MJBXVCDLSA-N 2 0 295.431 -0.197 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2C[NH2+]C[C@H]2F)CCCO1 ZINC001552348474 923888605 /nfs/dbraw/zinc/88/86/05/923888605.db2.gz FZNHSNYRVMGBLV-BBBLOLIVSA-N 2 0 260.313 -0.945 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001552350297 923890669 /nfs/dbraw/zinc/89/06/69/923890669.db2.gz KQSLFIYVBNKNSM-MNOVXSKESA-N 2 0 270.377 -0.256 20 0 CBADRP Cc1c(C(=O)NC[C@H]2CCC[NH2+]2)nnn1[C@H]1CC[NH2+]C1 ZINC001552418945 923896457 /nfs/dbraw/zinc/89/64/57/923896457.db2.gz BTGHLDZXQVIOHR-MNOVXSKESA-N 2 0 278.360 -0.397 20 0 CBADRP Cc1c(C(=O)NC[C@@H]2CCC[NH2+]2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552418953 923896501 /nfs/dbraw/zinc/89/65/01/923896501.db2.gz BTGHLDZXQVIOHR-WDEREUQCSA-N 2 0 278.360 -0.397 20 0 CBADRP Cc1c(C(=O)N[C@@H]2CC[NH2+]C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552418697 923897402 /nfs/dbraw/zinc/89/74/02/923897402.db2.gz MOYZVUYSSZEVKP-NXEZZACHSA-N 2 0 264.333 -0.787 20 0 CBADRP Cc1c(C(=O)N(C)[C@H]2CC[NH2+]C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552420580 923899255 /nfs/dbraw/zinc/89/92/55/923899255.db2.gz UMWMHCKTPJNOIK-QWRGUYRKSA-N 2 0 278.360 -0.445 20 0 CBADRP Cc1c(C(=O)N2CC[NH2+][C@@H](C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552420377 923899412 /nfs/dbraw/zinc/89/94/12/923899412.db2.gz PDDZYIJCKKNFSA-GXSJLCMTSA-N 2 0 278.360 -0.445 20 0 CBADRP Cc1c(C(=O)N(C)[C@H](C)C[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552420881 923899808 /nfs/dbraw/zinc/89/98/08/923899808.db2.gz RGTBWFHKTZDFCH-PSASIEDQSA-N 2 0 266.349 -0.460 20 0 CBADRP O=C([C@H]1CCCC[NH2+]C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001552426330 923902095 /nfs/dbraw/zinc/90/20/95/923902095.db2.gz WJXUKTUCVYEEDO-KBPBESRZSA-N 2 0 280.416 -0.118 20 0 CBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001552436675 923903232 /nfs/dbraw/zinc/90/32/32/923903232.db2.gz DQOHZBOHTKIOFR-CMPLNLGQSA-N 2 0 292.387 -0.070 20 0 CBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001552436676 923903543 /nfs/dbraw/zinc/90/35/43/923903543.db2.gz DQOHZBOHTKIOFR-JQWIXIFHSA-N 2 0 292.387 -0.070 20 0 CBADRP Cc1c(C(=O)NC[C@@H]2CC[N@@H+](C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552434498 923904357 /nfs/dbraw/zinc/90/43/57/923904357.db2.gz SYNCWHRYXSOPJG-NWDGAFQWSA-N 2 0 292.387 -0.198 20 0 CBADRP Cc1c(C(=O)NCC[NH+](C)C)nnn1[C@H]1CC[NH2+]C1 ZINC001552437055 923904423 /nfs/dbraw/zinc/90/44/23/923904423.db2.gz IEKJHEVYZOJGCT-JTQLQIEISA-N 2 0 266.349 -0.588 20 0 CBADRP O=C(NC[C@H]1CC[NH2+]C1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001552437078 923905012 /nfs/dbraw/zinc/90/50/12/923905012.db2.gz WZJJYJHWBJDMEG-UWVGGRQHSA-N 2 0 263.345 -0.174 20 0 CBADRP Cc1c(C(=O)N2CCC[N@@H+](C)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552437115 923905017 /nfs/dbraw/zinc/90/50/17/923905017.db2.gz XPGRIMCUECFLDS-LBPRGKRZSA-N 2 0 292.387 -0.101 20 0 CBADRP Cc1c(C(=O)NC[C@@H]2CC[N@@H+](C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552434500 923905062 /nfs/dbraw/zinc/90/50/62/923905062.db2.gz SYNCWHRYXSOPJG-RYUDHWBXSA-N 2 0 292.387 -0.198 20 0 CBADRP Cc1c(C(=O)N[C@@H](C)CC[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552437171 923906716 /nfs/dbraw/zinc/90/67/16/923906716.db2.gz ZHUSULGWUGEZJD-WCBMZHEXSA-N 2 0 266.349 -0.412 20 0 CBADRP Cc1c(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552437602 923907152 /nfs/dbraw/zinc/90/71/52/923907152.db2.gz QJSOTOFYYGRULN-YUSALJHKSA-N 2 0 292.387 -0.009 20 0 CBADRP Cc1c(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552437601 923907244 /nfs/dbraw/zinc/90/72/44/923907244.db2.gz QJSOTOFYYGRULN-WCQGTBRESA-N 2 0 292.387 -0.009 20 0 CBADRP O=C(NC[C@@H]1C[C@@H](F)C[NH2+]1)c1cnnn1C1CC[NH2+]CC1 ZINC001552437622 923907491 /nfs/dbraw/zinc/90/74/91/923907491.db2.gz DUDHHJHYYAQMCC-ZJUUUORDSA-N 2 0 296.350 -0.368 20 0 CBADRP Cc1c(C(=O)N(C)[C@@H]2CC[N@H+](C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552440038 923909065 /nfs/dbraw/zinc/90/90/65/923909065.db2.gz IUWUXQXLDGQXRS-NWDGAFQWSA-N 2 0 292.387 -0.103 20 0 CBADRP O=C(c1c[nH]c(C2CC[NH2+]CC2)n1)N1CC[NH2+]CC1 ZINC001552686044 923912125 /nfs/dbraw/zinc/91/21/25/923912125.db2.gz SMOVPIYJILNIKK-UHFFFAOYSA-N 2 0 263.345 -0.078 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]C2)C[C@@H]1n1ccnn1 ZINC001552680109 923913532 /nfs/dbraw/zinc/91/35/32/923913532.db2.gz MAJNIGYBPNZGSV-TUAOUCFPSA-N 2 0 278.360 -0.622 20 0 CBADRP [NH3+]C[C@H]1C[C@H](F)CN1Cc1cnn2c1C[NH2+]CC2 ZINC001552686334 923916323 /nfs/dbraw/zinc/91/63/23/923916323.db2.gz CLJNCYBCRLIHRR-WDEREUQCSA-N 2 0 253.325 -0.143 20 0 CBADRP CN(CC[NH3+])C(=O)c1c[nH]c(C2CC[NH2+]CC2)n1 ZINC001552695757 923916422 /nfs/dbraw/zinc/91/64/22/923916422.db2.gz GHFPYWBBVIMUQX-UHFFFAOYSA-N 2 0 251.334 -0.093 20 0 CBADRP CN1CCN(Cc2cnn3c2C[NH2+]CC3)[C@@H](C[NH3+])C1 ZINC001552686949 923917275 /nfs/dbraw/zinc/91/72/75/923917275.db2.gz JPFMLKJSLSWISK-LBPRGKRZSA-N 2 0 264.377 -0.939 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)c2c[nH]c(C3CC[NH2+]CC3)n2)CCO1 ZINC001552694399 923917331 /nfs/dbraw/zinc/91/73/31/923917331.db2.gz UXFAZCPTLPARNJ-LLVKDONJSA-N 2 0 293.371 -0.324 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001552820157 923921158 /nfs/dbraw/zinc/92/11/58/923921158.db2.gz HFCALIOARPDOHO-DZGCQCFKSA-N 2 0 280.416 -0.118 20 0 CBADRP C[C@H](C[NH3+])NC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC001552837457 923921208 /nfs/dbraw/zinc/92/12/08/923921208.db2.gz ZTFJSKABIBUNHO-RNFRBKRXSA-N 2 0 288.302 -0.173 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001552848000 923923258 /nfs/dbraw/zinc/92/32/58/923923258.db2.gz JOHPGCFACIBNHU-GXSJLCMTSA-N 2 0 278.360 -0.317 20 0 CBADRP Cc1c(C(=O)N[C@@H]2CC[NH2+][C@@H]2C)nnn1[C@H]1CC[NH2+]C1 ZINC001552848286 923923273 /nfs/dbraw/zinc/92/32/73/923923273.db2.gz QBMZHVLRGIHOQP-DVVUODLYSA-N 2 0 278.360 -0.399 20 0 CBADRP Cc1c(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552848787 923923914 /nfs/dbraw/zinc/92/39/14/923923914.db2.gz DIJQUBJZXQTGIW-MVWJERBFSA-N 2 0 292.387 -0.212 20 0 CBADRP C[NH+]1CCC2(CCN(C(=O)N3C[C@@H](N)[C@@H]([NH3+])C3)CC2)CC1 ZINC001552960569 923927032 /nfs/dbraw/zinc/92/70/32/923927032.db2.gz OTYWIRRYRBQPER-BETUJISGSA-N 2 0 295.431 -0.116 20 0 CBADRP [NH3+][C@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1n1ccnn1 ZINC001552973406 923931211 /nfs/dbraw/zinc/93/12/11/923931211.db2.gz DJYFPDSRUXFHJS-GTGGMXTKSA-N 2 0 276.388 -0.007 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)C1 ZINC001552981271 923931621 /nfs/dbraw/zinc/93/16/21/923931621.db2.gz RKQXGJIWKVYYNX-GXTWGEPZSA-N 2 0 280.416 -0.358 20 0 CBADRP CN(C(=O)C1CN(C)CC[NH+](C)C1)[C@H]1CC[N@H+](C)C1 ZINC001552988483 923934709 /nfs/dbraw/zinc/93/47/09/923934709.db2.gz LHSJUNUDAKQSGG-ZDUSSCGKSA-N 2 0 268.405 -0.358 20 0 CBADRP CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C[C@H]21 ZINC001553013779 923934851 /nfs/dbraw/zinc/93/48/51/923934851.db2.gz DRQUOJOXOIGRFV-BFHYXJOUSA-N 2 0 295.383 -0.704 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC001553013967 923935796 /nfs/dbraw/zinc/93/57/96/923935796.db2.gz FSTIRUVTSPJUHM-VXGBXAGGSA-N 2 0 267.373 -0.083 20 0 CBADRP C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC(C(N)=O)C1 ZINC001553014768 923936083 /nfs/dbraw/zinc/93/60/83/923936083.db2.gz URPFATJIIXQTRJ-ILDUYXDCSA-N 2 0 253.346 -0.439 20 0 CBADRP C[N@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC(C(N)=O)C1 ZINC001553304214 923946067 /nfs/dbraw/zinc/94/60/67/923946067.db2.gz BNEGRQIUZZEHMC-UAKHECDHSA-N 2 0 267.373 -0.049 20 0 CBADRP C([C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC001553301458 923947883 /nfs/dbraw/zinc/94/78/83/923947883.db2.gz PYCJKFDIDKTULJ-MJBXVCDLSA-N 2 0 281.400 -0.182 20 0 CBADRP [NH3+][C@@H]1CN(C[C@H]2CCCC[NH2+]C2)C[C@@H]1n1ccnn1 ZINC001553305404 923949419 /nfs/dbraw/zinc/94/94/19/923949419.db2.gz UHZAKMMOLBUZJP-XQQFMLRXSA-N 2 0 264.377 -0.148 20 0 CBADRP C[N@@H+]1CC[C@@]2(C(=O)NC3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553345465 923949610 /nfs/dbraw/zinc/94/96/10/923949610.db2.gz WBCCSFLMWLPPEO-SMDDNHRTSA-N 3 0 266.389 -0.604 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NC3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553345463 923950912 /nfs/dbraw/zinc/95/09/12/923950912.db2.gz WBCCSFLMWLPPEO-FZMZJTMJSA-N 3 0 266.389 -0.604 20 0 CBADRP O=C(N1CCC[NH2+]CC1)[C@@]12C[NH2+]C[C@@H]1CCOC2 ZINC001553347098 923952566 /nfs/dbraw/zinc/95/25/66/923952566.db2.gz AQNSSOAPBMMYEK-WCQYABFASA-N 2 0 253.346 -0.566 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NC3CCC([NH3+])CC3)C[NH2+]C[C@@H]2C1 ZINC001553351764 923952816 /nfs/dbraw/zinc/95/28/16/923952816.db2.gz BZHYACLZYCZVPD-LPXQKFACSA-N 3 0 280.416 -0.086 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)[C@]12C[NH2+]C[C@@H]1CCOC2 ZINC001553348771 923953488 /nfs/dbraw/zinc/95/34/88/923953488.db2.gz JNEJINYFMGERSY-JSGCOSHPSA-N 2 0 267.373 -0.272 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@]12CC[NH2+][C@@H]1CCCC2 ZINC001553348939 923953829 /nfs/dbraw/zinc/95/38/29/923953829.db2.gz CNZUPSGBXMADJY-HIFRSBDPSA-N 2 0 280.416 -0.070 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2COCC3)CC[NH2+]1 ZINC001553355253 923955676 /nfs/dbraw/zinc/95/56/76/923955676.db2.gz MXYUSDCFBIVLTR-MDZLAQPJSA-N 2 0 253.346 -0.567 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553353461 923955942 /nfs/dbraw/zinc/95/59/42/923955942.db2.gz DTOHFVUKKHDTBJ-BZPMIXESSA-N 3 0 268.405 -0.373 20 0 CBADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@]12C[NH2+]C[C@@H]1COCC2 ZINC001553353107 923956440 /nfs/dbraw/zinc/95/64/40/923956440.db2.gz GNXDFPXKGWPIKU-DYEKYZERSA-N 2 0 267.373 -0.129 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@]12C[NH2+]C[C@H]1CN(C)CC2 ZINC001553358463 923959620 /nfs/dbraw/zinc/95/96/20/923959620.db2.gz HVKAFPSSTNUUMM-WFASDCNBSA-N 2 0 282.432 -0.029 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2COCC3)C[C@H](C)[NH2+]1 ZINC001553359424 923959781 /nfs/dbraw/zinc/95/97/81/923959781.db2.gz TZNDDKIZBQTCIY-OPDFLTKYSA-N 2 0 267.373 -0.179 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COCC3)CC1 ZINC001553356446 923959851 /nfs/dbraw/zinc/95/98/51/923959851.db2.gz FWFUMXZIRHJJLK-RISCZKNCSA-N 2 0 267.373 -0.177 20 0 CBADRP CN(C(=O)[C@@]12C[NH2+]C[C@@H]1COCC2)[C@H]1CC[NH2+]C1 ZINC001553359405 923962571 /nfs/dbraw/zinc/96/25/71/923962571.db2.gz SPPZAQSAYQXSJC-MDZLAQPJSA-N 2 0 253.346 -0.567 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)[C@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553357131 923962700 /nfs/dbraw/zinc/96/27/00/923962700.db2.gz VVCXXTFVXVCXTC-GMXVVIOVSA-N 3 0 254.378 -0.619 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)[C@@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553357137 923962802 /nfs/dbraw/zinc/96/28/02/923962802.db2.gz VVCXXTFVXVCXTC-GVXVVHGQSA-N 3 0 254.378 -0.619 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C[C@H]([NH3+])[C@@H]3C2)CCO1 ZINC001553360907 923964412 /nfs/dbraw/zinc/96/44/12/923964412.db2.gz WHVSENXMNXIMQW-PQWUQFFPSA-N 2 0 267.373 -0.066 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C[C@H]([NH3+])[C@H]3C2)CCO1 ZINC001553360909 923964600 /nfs/dbraw/zinc/96/46/00/923964600.db2.gz WHVSENXMNXIMQW-QFHDERPTSA-N 2 0 267.373 -0.066 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CN(C)CC3)CCO1 ZINC001553378594 923969182 /nfs/dbraw/zinc/96/91/82/923969182.db2.gz VHDXSVWVWHGTOU-MBNYWOFBSA-N 2 0 267.373 -0.225 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553401460 923971909 /nfs/dbraw/zinc/97/19/09/923971909.db2.gz HLQUAWLHRLTCHC-USZNOCQGSA-N 2 0 253.346 -0.378 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553402921 923973787 /nfs/dbraw/zinc/97/37/87/923973787.db2.gz UMLZCTTVIHUGOB-CYDGBPFRSA-N 2 0 267.373 -0.036 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC[C@H]1[NH3+] ZINC001553402649 923973907 /nfs/dbraw/zinc/97/39/07/923973907.db2.gz PVJCEHOIDWQEFD-JCIQBVFBSA-N 2 0 253.346 -0.299 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553403305 923975101 /nfs/dbraw/zinc/97/51/01/923975101.db2.gz XIGBHYXUURIIQL-SDDRHHMPSA-N 2 0 253.346 -0.284 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001553404350 923976842 /nfs/dbraw/zinc/97/68/42/923976842.db2.gz BIEKVVBMDZLHIH-UHXUPSOCSA-N 2 0 265.357 -0.282 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553405717 923977216 /nfs/dbraw/zinc/97/72/16/923977216.db2.gz DBUYNZXHNRGQKY-OSUNSFLBSA-N 2 0 253.346 -0.299 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1)C(F)(F)F ZINC001553404396 923977498 /nfs/dbraw/zinc/97/74/98/923977498.db2.gz BKUOCBFZVKYINS-MAUMQABQSA-N 2 0 281.278 -0.098 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1)C(F)(F)F ZINC001553404885 923978112 /nfs/dbraw/zinc/97/81/12/923978112.db2.gz BKUOCBFZVKYINS-XAVMHZPKSA-N 2 0 281.278 -0.098 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553408258 923980091 /nfs/dbraw/zinc/98/00/91/923980091.db2.gz ISIUWNAPNUNWOP-QUARPLMYSA-N 2 0 257.309 -0.678 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)C(F)F ZINC001553406642 923980399 /nfs/dbraw/zinc/98/03/99/923980399.db2.gz GPSDHJGZGVCXLJ-JBDRJPRFSA-N 2 0 263.288 -0.396 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001553406708 923980935 /nfs/dbraw/zinc/98/09/35/923980935.db2.gz GULPCVIFZNAAFZ-MQYQWHSLSA-N 2 0 294.399 -0.988 20 0 CBADRP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553409748 923982849 /nfs/dbraw/zinc/98/28/49/923982849.db2.gz KECXLZXMMWPYBN-FRRDWIJNSA-N 2 0 267.373 -0.036 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553410685 923983823 /nfs/dbraw/zinc/98/38/23/923983823.db2.gz QRDAKJOWCQMRBL-NOOOWODRSA-N 2 0 253.346 -0.426 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CCOCC1 ZINC001553413956 923986350 /nfs/dbraw/zinc/98/63/50/923986350.db2.gz REYVSPASYQPLIO-AVGNSLFASA-N 2 0 297.399 -0.267 20 0 CBADRP CC1(C)C[NH2+][C@@H]1CNC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553412744 923986778 /nfs/dbraw/zinc/98/67/78/923986778.db2.gz UTEMSPCQTNWLLR-VPOLOUISSA-N 2 0 253.346 -0.380 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553413996 923987384 /nfs/dbraw/zinc/98/73/84/923987384.db2.gz WMJPBOLWOVHFAG-MPPDQPJWSA-N 2 0 253.346 -0.297 20 0 CBADRP C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553414348 923987573 /nfs/dbraw/zinc/98/75/73/923987573.db2.gz ZYBCOWMXQXFLRF-GRYCIOLGSA-N 2 0 253.346 -0.284 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553414633 923991439 /nfs/dbraw/zinc/99/14/39/923991439.db2.gz RHEYGSXVOIJATK-POQQGIQPSA-N 2 0 295.383 -0.515 20 0 CBADRP C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC[N@@H+]1C ZINC001553429286 923996343 /nfs/dbraw/zinc/99/63/43/923996343.db2.gz JYVXALIUESVIDK-JCIQBVFBSA-N 2 0 253.346 -0.285 20 0 CBADRP [NH3+]CCC1CC(NC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553430009 923996629 /nfs/dbraw/zinc/99/66/29/923996629.db2.gz SODSZXQKABSYTM-UFJRKFNTSA-N 2 0 253.346 -0.251 20 0 CBADRP C[C@H](NC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)[C@@H]1C[N@H+](C)CCN1C ZINC001553430921 923998206 /nfs/dbraw/zinc/99/82/06/923998206.db2.gz WTKZTXZQTHYTIW-NDKCEZKHSA-N 2 0 296.415 -0.744 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553437632 923998894 /nfs/dbraw/zinc/99/88/94/923998894.db2.gz YXAJHMNFBHMMGM-YTWAJWBKSA-N 2 0 253.346 -0.380 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC[C@H]1C[NH3+] ZINC001553433510 923999739 /nfs/dbraw/zinc/99/97/39/923999739.db2.gz SLICFUFPYGLENQ-MOLYVOAJSA-N 2 0 267.373 -0.051 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC001553448810 924001812 /nfs/dbraw/zinc/00/18/12/924001812.db2.gz KUVOVNYRINKLSJ-NFAWXSAZSA-N 2 0 295.431 -0.327 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001553446850 924002533 /nfs/dbraw/zinc/00/25/33/924002533.db2.gz DWENTGSMKVTKJY-OUCADQQQSA-N 2 0 281.404 -0.635 20 0 CBADRP O=C(NC1CC[NH2+]CC1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001553489345 924007045 /nfs/dbraw/zinc/00/70/45/924007045.db2.gz DMNPNBBEZRKCLR-UONOGXRCSA-N 2 0 296.415 -0.021 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001553488246 924007614 /nfs/dbraw/zinc/00/76/14/924007614.db2.gz BLLOGBVNUFMVKT-JSGCOSHPSA-N 2 0 281.404 -0.667 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001553489838 924009195 /nfs/dbraw/zinc/00/91/95/924009195.db2.gz YASHAIXILDRKSA-GRYCIOLGSA-N 2 0 294.403 -0.194 20 0 CBADRP [NH3+]C[C@H](NC(=O)N[C@@H]1C[NH2+]CC12CCOCC2)C1CC1 ZINC001553494361 924010591 /nfs/dbraw/zinc/01/05/91/924010591.db2.gz BUBLISWRDHAYER-NWDGAFQWSA-N 2 0 282.388 -0.209 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+]C1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001553492830 924010698 /nfs/dbraw/zinc/01/06/98/924010698.db2.gz APLMOFXIZGWLCZ-MGPQQGTHSA-N 2 0 296.415 -0.164 20 0 CBADRP [NH3+]C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC12CCOCC2)C1CC1 ZINC001553494372 924010961 /nfs/dbraw/zinc/01/09/61/924010961.db2.gz BUBLISWRDHAYER-VXGBXAGGSA-N 2 0 282.388 -0.209 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553494300 924010997 /nfs/dbraw/zinc/01/09/97/924010997.db2.gz DXEOZTGXVKTVJD-UPJWGTAASA-N 2 0 284.404 -0.178 20 0 CBADRP O=C(N[C@H]1C[NH2+]CC12CCOCC2)NC1CC[NH2+]CC1 ZINC001553490740 924011352 /nfs/dbraw/zinc/01/13/52/924011352.db2.gz OKZQMLSZZSWCIQ-LBPRGKRZSA-N 2 0 282.388 -0.194 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553496667 924011957 /nfs/dbraw/zinc/01/19/57/924011957.db2.gz MICAHAMQBLHCQV-WDEREUQCSA-N 2 0 270.377 -0.127 20 0 CBADRP O=C(N[C@H]1C[NH2+]CC12CCOCC2)N[C@H]1CCC[NH2+]C1 ZINC001553496529 924012346 /nfs/dbraw/zinc/01/23/46/924012346.db2.gz LRIJFXMBIPFUHM-RYUDHWBXSA-N 2 0 282.388 -0.194 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553500774 924012900 /nfs/dbraw/zinc/01/29/00/924012900.db2.gz GZSACTSGUOPQSM-WUHRBBMRSA-N 2 0 284.404 -0.037 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553498682 924013326 /nfs/dbraw/zinc/01/33/26/924013326.db2.gz VYMUCYBDYZUYQB-MNOVXSKESA-N 2 0 270.377 -0.270 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553496652 924013758 /nfs/dbraw/zinc/01/37/58/924013758.db2.gz MICAHAMQBLHCQV-GHMZBOCLSA-N 2 0 270.377 -0.127 20 0 CBADRP C[C@H](C[NH3+])NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001553496686 924013839 /nfs/dbraw/zinc/01/38/39/924013839.db2.gz MODAKECWTQDDSM-BNOWGMLFSA-N 3 0 295.431 -0.056 20 0 CBADRP C[C@H]([NH3+])CNC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553505893 924016426 /nfs/dbraw/zinc/01/64/26/924016426.db2.gz VDZFBFAFGACYNA-UWVGGRQHSA-N 2 0 256.350 -0.599 20 0 CBADRP C[NH2+][C@@H](C)CNC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553502798 924017664 /nfs/dbraw/zinc/01/76/64/924017664.db2.gz NHSSFZNHTWTBNU-WDEREUQCSA-N 2 0 270.377 -0.256 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553511537 924018935 /nfs/dbraw/zinc/01/89/35/924018935.db2.gz DIOYYVORIDCREX-QWRGUYRKSA-N 2 0 270.377 -0.127 20 0 CBADRP [NH3+][C@@]12CC[C@H]1CN(C(=O)NCC1([NH3+])CCOCC1)C2 ZINC001553517356 924019006 /nfs/dbraw/zinc/01/90/06/924019006.db2.gz RYEDBUAWSQQKEY-GXFFZTMASA-N 2 0 268.361 -0.373 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001553517395 924019461 /nfs/dbraw/zinc/01/94/61/924019461.db2.gz SCUGAHCRAGFWCW-OCCSQVGLSA-N 2 0 282.388 -0.098 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC001553519318 924021984 /nfs/dbraw/zinc/02/19/84/924021984.db2.gz YGRVASJKOJQKME-NQBHXWOUSA-N 2 0 268.361 -0.584 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553519461 924022274 /nfs/dbraw/zinc/02/22/74/924022274.db2.gz QWLJHIGPTLIDAP-TUAOUCFPSA-N 2 0 282.388 -0.195 20 0 CBADRP N[C@@H]1CN(C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C[C@@H]1[NH3+] ZINC001553523479 924022549 /nfs/dbraw/zinc/02/25/49/924022549.db2.gz FEAGUSXISZKUJF-NTZNESFSSA-N 2 0 267.377 -0.705 20 0 CBADRP N[C@@H]1CN(C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C[C@H]1[NH3+] ZINC001553523481 924022598 /nfs/dbraw/zinc/02/25/98/924022598.db2.gz FEAGUSXISZKUJF-WZRBSPASSA-N 2 0 267.377 -0.705 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001553518022 924023599 /nfs/dbraw/zinc/02/35/99/924023599.db2.gz USDLVJQGKIJSMG-SVNGYHJRSA-N 2 0 252.362 -0.027 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC001553528145 924026034 /nfs/dbraw/zinc/02/60/34/924026034.db2.gz LNXYGSLXYJMEKF-HNNXBMFYSA-N 2 0 295.431 -0.053 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553529744 924027121 /nfs/dbraw/zinc/02/71/21/924027121.db2.gz NNQUKWJJESSSHB-FRRDWIJNSA-N 2 0 296.415 -0.009 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3C[NH2+]C[C@@H]3F)C2)CC1 ZINC001553543856 924027536 /nfs/dbraw/zinc/02/75/36/924027536.db2.gz OUHHFCHSVMBULD-AGIUHOORSA-N 2 0 299.394 -0.672 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NCC2([NH3+])CC2)CC12CCOCC2 ZINC001553540143 924028563 /nfs/dbraw/zinc/02/85/63/924028563.db2.gz UPWACNUXSSMHBE-SNVBAGLBSA-N 2 0 268.361 -0.373 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N1CC[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001553541040 924028635 /nfs/dbraw/zinc/02/86/35/924028635.db2.gz DLHJKNXYBAPUKI-WHOHXGKFSA-N 2 0 270.352 -0.063 20 0 CBADRP COCC1(C(=O)N(C)[C@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC000376559866 230255802 /nfs/dbraw/zinc/25/58/02/230255802.db2.gz AAIKIKPLORORHW-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP O=C(NCCCC[NH+]1CCOCC1)[C@]1(F)CC[NH2+]C1 ZINC000376693625 230257257 /nfs/dbraw/zinc/25/72/57/230257257.db2.gz BPIIQBYRJQEDEU-ZDUSSCGKSA-N 2 0 273.352 -0.083 20 0 CBADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1CCC[NH2+]1 ZINC000337834255 214280224 /nfs/dbraw/zinc/28/02/24/214280224.db2.gz CHSGLRJWFUFIBZ-GFCCVEGCSA-N 2 0 255.362 -0.299 20 0 CBADRP CN(C)S(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000230992429 282157535 /nfs/dbraw/zinc/15/75/35/282157535.db2.gz MQUAVPIEBIQMOF-WDEREUQCSA-N 2 0 263.407 -0.015 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[NH+]1CCC(C)CC1 ZINC000126235083 187225660 /nfs/dbraw/zinc/22/56/60/187225660.db2.gz ZARLUDHUGHFMCG-AWEZNQCLSA-N 2 0 298.431 -0.066 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418825561 290663924 /nfs/dbraw/zinc/66/39/24/290663924.db2.gz BWDMJOUBKHXORC-UHFFFAOYSA-N 2 0 270.377 -0.687 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000418929287 290663936 /nfs/dbraw/zinc/66/39/36/290663936.db2.gz ZOYSOQYDOQJUKG-SWLSCSKDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCC(=O)NC(N)=O ZINC000441259805 282215118 /nfs/dbraw/zinc/21/51/18/282215118.db2.gz MCEDVZAQMWCUFP-UTUOFQBUSA-N 2 0 298.387 -0.245 20 0 CBADRP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350921357 219070427 /nfs/dbraw/zinc/07/04/27/219070427.db2.gz SLGLNCMVFGGMNW-NSHDSACASA-N 2 0 285.388 -0.062 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000126288370 187230837 /nfs/dbraw/zinc/23/08/37/187230837.db2.gz HPNHYIRIURKXCX-AAEUAGOBSA-N 2 0 286.420 -0.068 20 0 CBADRP C[NH+](C)CC1CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000350946973 219072239 /nfs/dbraw/zinc/07/22/39/219072239.db2.gz DFGARLOTCWTXKZ-UHFFFAOYSA-N 2 0 268.361 -0.188 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000126321836 187232657 /nfs/dbraw/zinc/23/26/57/187232657.db2.gz IAPIHFRWMUVHIV-JSGCOSHPSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@@H]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000573443315 334938248 /nfs/dbraw/zinc/93/82/48/334938248.db2.gz HBHQVZGBXCDINC-AGIUHOORSA-N 2 0 296.415 -0.312 20 0 CBADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351538751 219118725 /nfs/dbraw/zinc/11/87/25/219118725.db2.gz SDRHANYVORRYAE-RISCZKNCSA-N 2 0 284.404 -0.266 20 0 CBADRP C[NH+]1CCC(CCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351538801 219119338 /nfs/dbraw/zinc/11/93/38/219119338.db2.gz SOTZMVYWHLRBCL-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351541625 219120787 /nfs/dbraw/zinc/12/07/87/219120787.db2.gz XDFKWAFIEWZTIG-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351541626 219121507 /nfs/dbraw/zinc/12/15/07/219121507.db2.gz XDFKWAFIEWZTIG-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000573556502 334946605 /nfs/dbraw/zinc/94/66/05/334946605.db2.gz PDMRGAWQEJQPFG-WDEREUQCSA-N 2 0 255.362 -0.131 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000351553048 219124172 /nfs/dbraw/zinc/12/41/72/219124172.db2.gz CVLNMGYXGAAUHU-XQQFMLRXSA-N 2 0 294.399 -0.402 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351555295 219124938 /nfs/dbraw/zinc/12/49/38/219124938.db2.gz LFHDDDIHWBVSLH-LBPRGKRZSA-N 2 0 282.388 -0.593 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351559095 219125723 /nfs/dbraw/zinc/12/57/23/219125723.db2.gz UAJYXUZWILRFDX-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[N@H+](CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C(C)C ZINC000351556928 219126060 /nfs/dbraw/zinc/12/60/60/219126060.db2.gz OWCWXYKRVOPBON-LBPRGKRZSA-N 2 0 284.404 -0.299 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351560843 219126847 /nfs/dbraw/zinc/12/68/47/219126847.db2.gz XIHMATZYRWXMAC-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP C[NH+](C)CCCCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351567744 219129077 /nfs/dbraw/zinc/12/90/77/219129077.db2.gz MQDRQMBXWGQGCB-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C[C@H](O)C[NH+](C)C2CC2)[C@@H](C)C1 ZINC000351584827 219136208 /nfs/dbraw/zinc/13/62/08/219136208.db2.gz XEWRCDDSMWMKQE-KCQAQPDRSA-N 2 0 285.432 -0.172 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000419158094 290724269 /nfs/dbraw/zinc/72/42/69/290724269.db2.gz XLNXUIXDUNAAAD-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000367148952 530050408 /nfs/dbraw/zinc/05/04/08/530050408.db2.gz OUKQXCSPNCODNJ-ZDUSSCGKSA-N 2 0 266.389 -0.413 20 0 CBADRP C[C@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)CC[NH+]1CCO ZINC000351611699 219146641 /nfs/dbraw/zinc/14/66/41/219146641.db2.gz RWZRFTTVWOWOTD-JSGCOSHPSA-N 2 0 271.405 -0.560 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419892184 282445097 /nfs/dbraw/zinc/44/50/97/282445097.db2.gz JBNJCHZEVKUFKF-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)[C@H](O)C2)CC1 ZINC000351776035 219202911 /nfs/dbraw/zinc/20/29/11/219202911.db2.gz XNUKRIZNZYVONO-WCQYABFASA-N 2 0 269.389 -0.101 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000339573843 215250888 /nfs/dbraw/zinc/25/08/88/215250888.db2.gz GBASAEKTMPPZEU-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000339577902 215253512 /nfs/dbraw/zinc/25/35/12/215253512.db2.gz JCQBLAOSCKMWGB-UHFFFAOYSA-N 2 0 272.393 -0.536 20 0 CBADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000352023962 219292275 /nfs/dbraw/zinc/29/22/75/219292275.db2.gz BVTIZAPZEFGLHS-MCIONIFRSA-N 2 0 280.416 -0.073 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+](C)CC1)C1CC1 ZINC000339635882 215281071 /nfs/dbraw/zinc/28/10/71/215281071.db2.gz DWBITSOISSUOEM-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+]1CCN(CCNC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000091135388 180104229 /nfs/dbraw/zinc/10/42/29/180104229.db2.gz YFLSQWSPOJNQHT-GFCCVEGCSA-N 2 0 286.445 -0.555 20 0 CBADRP C[NH+]1CCC(CNC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000091311226 180132595 /nfs/dbraw/zinc/13/25/95/180132595.db2.gz YWIFSUDNMMVYQL-GFCCVEGCSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091549059 180188132 /nfs/dbraw/zinc/18/81/32/180188132.db2.gz VUWQCCQOASCCPT-STQMWFEESA-N 2 0 268.405 -0.133 20 0 CBADRP O=C(C[NH2+]CC1CC1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000091668197 180223905 /nfs/dbraw/zinc/22/39/05/180223905.db2.gz MDRUUKSDCNKWIS-STQMWFEESA-N 2 0 267.373 -0.035 20 0 CBADRP COCC[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000106080245 186101141 /nfs/dbraw/zinc/10/11/41/186101141.db2.gz ZVOXSKGMUNYVJS-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]CCN1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000037039717 351396408 /nfs/dbraw/zinc/39/64/08/351396408.db2.gz GANPZXIDGIWYRF-UHFFFAOYSA-N 2 0 254.378 -0.425 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000037628827 351401143 /nfs/dbraw/zinc/40/11/43/351401143.db2.gz BARXXCGSVUAMBA-ZDUSSCGKSA-N 2 0 290.367 -0.548 20 0 CBADRP C[NH+](C)Cc1ccc(NC(=O)CNC(=O)C[NH3+])cc1 ZINC000037629932 351401231 /nfs/dbraw/zinc/40/12/31/351401231.db2.gz SMPKUVJJWGICRY-UHFFFAOYSA-N 2 0 264.329 -0.238 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCC[NH3+] ZINC000042737675 351436921 /nfs/dbraw/zinc/43/69/21/351436921.db2.gz ZBCNQIQIQDCBPS-UHFFFAOYSA-N 2 0 258.366 -0.893 20 0 CBADRP CC[NH+](CC)CCN(CC(C)C)C(=O)CNC(=O)C[NH3+] ZINC000037812273 351407831 /nfs/dbraw/zinc/40/78/31/351407831.db2.gz ZEMXZPLRRBALBD-UHFFFAOYSA-N 2 0 286.420 -0.112 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)CNC(=O)C[NH3+])c1cccs1 ZINC000040827288 351419530 /nfs/dbraw/zinc/41/95/30/351419530.db2.gz QUSBTOLQTJKNRZ-VIFPVBQESA-N 2 0 284.385 -0.458 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)C[NH2+]CC2CC2)CC1 ZINC000040808867 351419761 /nfs/dbraw/zinc/41/97/61/351419761.db2.gz ITYGMKHFYBAJRQ-UHFFFAOYSA-N 2 0 268.405 -0.260 20 0 CBADRP NC(=O)CC1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000053298912 351526513 /nfs/dbraw/zinc/52/65/13/351526513.db2.gz MZHCKXOYBDAEQU-UHFFFAOYSA-N 2 0 282.388 -0.604 20 0 CBADRP NC(=O)[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298872 351526880 /nfs/dbraw/zinc/52/68/80/351526880.db2.gz ODVLZBHPLZNDSN-NSHDSACASA-N 2 0 268.361 -0.852 20 0 CBADRP CC(C)CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180345 351580661 /nfs/dbraw/zinc/58/06/61/351580661.db2.gz YAQGEFUHESKOGI-STQMWFEESA-N 2 0 298.431 -0.066 20 0 CBADRP [NH3+]CC[C@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000070170986 351635428 /nfs/dbraw/zinc/63/54/28/351635428.db2.gz SXPNOGVGBVAMGH-SNVBAGLBSA-N 2 0 254.334 -0.401 20 0 CBADRP Cn1c(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc(=O)n(C)c1=O ZINC000070170906 351635559 /nfs/dbraw/zinc/63/55/59/351635559.db2.gz ZYLHBGZWVGGJPJ-LLVKDONJSA-N 2 0 280.372 -0.355 20 0 CBADRP NC(=O)NC(=O)CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000068520556 351619470 /nfs/dbraw/zinc/61/94/70/351619470.db2.gz OQTMFBKSPJYFFO-UHFFFAOYSA-N 2 0 298.387 -0.384 20 0 CBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000068807460 351622613 /nfs/dbraw/zinc/62/26/13/351622613.db2.gz GQXHIRJALSLZBH-WOPDTQHZSA-N 2 0 256.394 -0.278 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000081015627 351702031 /nfs/dbraw/zinc/70/20/31/351702031.db2.gz ILMXINJWVSFOLP-CYBMUJFWSA-N 2 0 268.405 -0.118 20 0 CBADRP C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091311828 351743245 /nfs/dbraw/zinc/74/32/45/351743245.db2.gz HQQVVIXIJQRQFM-NWDGAFQWSA-N 2 0 255.362 -0.083 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000092510741 351750234 /nfs/dbraw/zinc/75/02/34/351750234.db2.gz PVWUTDIOXWLWKL-VXGBXAGGSA-N 2 0 271.361 -0.798 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000082258034 351711064 /nfs/dbraw/zinc/71/10/64/351711064.db2.gz HLNOHLHYGMOBLK-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP COCCCNC(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072384 351763125 /nfs/dbraw/zinc/76/31/25/351763125.db2.gz ZEOIPSVFFPIOOE-UHFFFAOYSA-N 2 0 287.404 -0.031 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)O1 ZINC000094568411 351764582 /nfs/dbraw/zinc/76/45/82/351764582.db2.gz IUGLCJPUDZWLLM-UTUOFQBUSA-N 2 0 253.346 -0.201 20 0 CBADRP COCCS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000112362280 351808151 /nfs/dbraw/zinc/80/81/51/351808151.db2.gz GJNOZMUQPGVYBL-UHFFFAOYSA-N 2 0 281.422 -0.612 20 0 CBADRP COC(=O)CNC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477378 351816745 /nfs/dbraw/zinc/81/67/45/351816745.db2.gz MVMVNWSRVCACPY-LLVKDONJSA-N 2 0 271.361 -0.451 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000125886198 351858108 /nfs/dbraw/zinc/85/81/08/351858108.db2.gz ISXAZCYMOIOFFJ-OAHLLOKOSA-N 2 0 288.395 -0.105 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000125711869 351858644 /nfs/dbraw/zinc/85/86/44/351858644.db2.gz JYLVUCQCIWWDII-VXGBXAGGSA-N 2 0 254.378 -0.475 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000129011773 351867595 /nfs/dbraw/zinc/86/75/95/351867595.db2.gz MFVXOXYAGAOFKL-NEPJUHHUSA-N 2 0 253.346 -0.329 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000129160674 351869038 /nfs/dbraw/zinc/86/90/38/351869038.db2.gz FVIICLXABILVBN-GHMZBOCLSA-N 2 0 253.346 -0.282 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)C[NH2+]C2CC2)CC1 ZINC000154679560 351947197 /nfs/dbraw/zinc/94/71/97/351947197.db2.gz XRRJOFRQGVYNGW-GFCCVEGCSA-N 2 0 268.405 -0.119 20 0 CBADRP CC[N@H+](CCCC1CC[NH+](CC(N)=O)CC1)CC(N)=O ZINC000154693979 351947280 /nfs/dbraw/zinc/94/72/80/351947280.db2.gz PCFZUMZCXDAVIX-UHFFFAOYSA-N 2 0 284.404 -0.229 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000151791663 351936387 /nfs/dbraw/zinc/93/63/87/351936387.db2.gz MPFPHZSFBGUINY-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@H+](CC(=O)NC[C@@](C)(O)C[NH+](C)C)C1CC1 ZINC000152981817 351941638 /nfs/dbraw/zinc/94/16/38/351941638.db2.gz LEMBOAOXEFEPBS-CYBMUJFWSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[N@H+](CC(=O)NC[C@](C)(O)C[NH+](C)C)C1CC1 ZINC000152981700 351942000 /nfs/dbraw/zinc/94/20/00/351942000.db2.gz LEMBOAOXEFEPBS-ZDUSSCGKSA-N 2 0 257.378 -0.101 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@H]([NH3+])CCSC ZINC000131183671 351883800 /nfs/dbraw/zinc/88/38/00/351883800.db2.gz LEMYQRMSDNPJAV-SNVBAGLBSA-N 2 0 263.407 -0.239 20 0 CBADRP CC[C@@H](C(N)=O)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171081854 352007624 /nfs/dbraw/zinc/00/76/24/352007624.db2.gz BABOSZNYOYUDKH-LBPRGKRZSA-N 2 0 284.404 -0.360 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000157336025 351955309 /nfs/dbraw/zinc/95/53/09/351955309.db2.gz ORISWTCFDKLMPL-GHMZBOCLSA-N 2 0 275.418 -0.144 20 0 CBADRP C[NH2+]CC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000167592745 351989637 /nfs/dbraw/zinc/98/96/37/351989637.db2.gz NBOCZVGRODOFPQ-UHFFFAOYSA-N 2 0 264.329 -0.042 20 0 CBADRP CC(C)[C@H](CNC(=O)[C@@H]1CN(C)CCO1)N1CCOCC1 ZINC000174506611 352047213 /nfs/dbraw/zinc/04/72/13/352047213.db2.gz VDQIQZMPURQFIU-KBPBESRZSA-N 2 0 299.415 -0.210 20 0 CBADRP C[N@@H+]1CCCC[C@H]1CN1CCN([C@@H]2CCNC2=O)CC1 ZINC000178201164 352077847 /nfs/dbraw/zinc/07/78/47/352077847.db2.gz QLBSIMUOBZSIIG-UONOGXRCSA-N 2 0 280.416 -0.023 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178844845 352083991 /nfs/dbraw/zinc/08/39/91/352083991.db2.gz WGAQBIYLQWGQKP-OLZOCXBDSA-N 2 0 283.372 -0.845 20 0 CBADRP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000178816009 352083999 /nfs/dbraw/zinc/08/39/99/352083999.db2.gz OSZVBGURYGBIQJ-SRVKXCTJSA-N 2 0 255.362 -0.084 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000178759138 352084035 /nfs/dbraw/zinc/08/40/35/352084035.db2.gz DNHAQCFRFNXXFG-CYBMUJFWSA-N 2 0 268.405 -0.118 20 0 CBADRP C[NH2+]CC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000178873333 352084854 /nfs/dbraw/zinc/08/48/54/352084854.db2.gz DQQDODBBSACCSL-UHFFFAOYSA-N 2 0 277.372 -0.331 20 0 CBADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)C[NH3+])CC2)C1 ZINC000178885322 352085434 /nfs/dbraw/zinc/08/54/34/352085434.db2.gz STJWBWBNUQRMTG-CYBMUJFWSA-N 2 0 284.404 -0.802 20 0 CBADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H](C)[NH3+])CC2)C1 ZINC000178884912 352085667 /nfs/dbraw/zinc/08/56/67/352085667.db2.gz GJXXJFRDJGHJCD-ZIAGYGMSSA-N 2 0 298.431 -0.413 20 0 CBADRP C[NH2+]CC(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000178884871 352085968 /nfs/dbraw/zinc/08/59/68/352085968.db2.gz UHJYOLPKOIFXLH-AWEZNQCLSA-N 2 0 298.431 -0.541 20 0 CBADRP O=C1C[C@H]([NH2+][C@@H]2CCOC2)CN1CCN1CCOCC1 ZINC000178907252 352086004 /nfs/dbraw/zinc/08/60/04/352086004.db2.gz JZRZQFKOIPHHTI-OLZOCXBDSA-N 2 0 283.372 -0.702 20 0 CBADRP CCN1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]C)C2)C1 ZINC000179001539 352087123 /nfs/dbraw/zinc/08/71/23/352087123.db2.gz QIRPRQSHMTXUPQ-NEPJUHHUSA-N 2 0 255.362 -0.225 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)Cn1cccn1 ZINC000179283000 352089063 /nfs/dbraw/zinc/08/90/63/352089063.db2.gz MPGKDLVKGRRRPA-OAHLLOKOSA-N 2 0 295.431 -0.187 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000188396244 352151756 /nfs/dbraw/zinc/15/17/56/352151756.db2.gz JYXCSXRRRRNUCI-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP COCC[NH+]1CCN(CCN2CCOC[C@@H]2C)CC1 ZINC000191422533 352188270 /nfs/dbraw/zinc/18/82/70/352188270.db2.gz IIJBNCSAXPIHDI-AWEZNQCLSA-N 2 0 271.405 -0.029 20 0 CBADRP CC[NH+](C/C=C/C[N@@H+](CC)CC(N)=O)CC(N)=O ZINC000191698594 352191968 /nfs/dbraw/zinc/19/19/68/352191968.db2.gz FQRIMGCFMWJQPN-AATRIKPKSA-N 2 0 256.350 -0.843 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000187606170 352140091 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CBADRP CCC[N@H+](CC)CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000219038724 352236894 /nfs/dbraw/zinc/23/68/94/352236894.db2.gz KBZDCNQWUMGTRV-ZDUSSCGKSA-N 2 0 286.420 -0.066 20 0 CBADRP CCS(=O)(=O)C[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000219304479 352237355 /nfs/dbraw/zinc/23/73/55/352237355.db2.gz PVTKXIYDBVYSHX-NSHDSACASA-N 2 0 266.407 -0.023 20 0 CBADRP CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221175230 352239635 /nfs/dbraw/zinc/23/96/35/352239635.db2.gz PUKHPARKHVWSTI-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221174261 352240308 /nfs/dbraw/zinc/24/03/08/352240308.db2.gz FFUNUVBLCCJMAZ-WDEREUQCSA-N 2 0 270.377 -0.750 20 0 CBADRP C[NH2+]CC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000193139255 352203628 /nfs/dbraw/zinc/20/36/28/352203628.db2.gz SOCNPYBRXBUPHI-UONOGXRCSA-N 2 0 277.368 -0.043 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000193569220 352206583 /nfs/dbraw/zinc/20/65/83/352206583.db2.gz IZXYSXKZWRPPOM-XQQFMLRXSA-N 2 0 296.415 -0.347 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C[NH2+]CC1CC1 ZINC000193707060 352208665 /nfs/dbraw/zinc/20/86/65/352208665.db2.gz ZWCQOFFSUZHDCU-ZDUSSCGKSA-N 2 0 296.415 -0.168 20 0 CBADRP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000195164353 352222712 /nfs/dbraw/zinc/22/27/12/352222712.db2.gz FEWMYAMUQXOOAB-LBPRGKRZSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C[NH+]1CCCCC1 ZINC000216500321 352231829 /nfs/dbraw/zinc/23/18/29/352231829.db2.gz GXLYNRXQEJTCHI-YNEHKIRRSA-N 2 0 269.389 -0.053 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000227128208 352255270 /nfs/dbraw/zinc/25/52/70/352255270.db2.gz MFVXOXYAGAOFKL-NWDGAFQWSA-N 2 0 253.346 -0.329 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000227130477 352255345 /nfs/dbraw/zinc/25/53/45/352255345.db2.gz FVIICLXABILVBN-QWRGUYRKSA-N 2 0 253.346 -0.282 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000227130470 352255787 /nfs/dbraw/zinc/25/57/87/352255787.db2.gz FVIICLXABILVBN-MNOVXSKESA-N 2 0 253.346 -0.282 20 0 CBADRP CO[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000230333551 352273221 /nfs/dbraw/zinc/27/32/21/352273221.db2.gz RNWNQHOGVRWTMT-GFCCVEGCSA-N 2 0 255.362 -0.081 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CC[NH2+]C1CC1 ZINC000225354124 352247811 /nfs/dbraw/zinc/24/78/11/352247811.db2.gz WQDYSXUFEVUGMA-LBPRGKRZSA-N 2 0 254.378 -0.510 20 0 CBADRP CCC(CC)(C[NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000236665686 352291953 /nfs/dbraw/zinc/29/19/53/352291953.db2.gz LXSQDVSZQWEUBE-UHFFFAOYSA-N 2 0 256.394 -0.227 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000236778137 352293898 /nfs/dbraw/zinc/29/38/98/352293898.db2.gz FKLLQZSSEGHXMB-STQMWFEESA-N 2 0 285.388 -0.552 20 0 CBADRP CCC[NH2+]CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000236788221 352294239 /nfs/dbraw/zinc/29/42/39/352294239.db2.gz UYIQGGBHNPIZHK-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000236837626 352294745 /nfs/dbraw/zinc/29/47/45/352294745.db2.gz KSFZBYUVRIYRHG-GFCCVEGCSA-N 2 0 284.404 -0.358 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2C[NH2+]C2)CC1=O ZINC000236839025 352295289 /nfs/dbraw/zinc/29/52/89/352295289.db2.gz YATMAJNLNVLDPX-AAEUAGOBSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)[C@@H](C)C[NH2+]1 ZINC000237425634 352305127 /nfs/dbraw/zinc/30/51/27/352305127.db2.gz YFCDKAYNMWAHKE-GRYCIOLGSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@](C[NH3+])(NC(=O)C[NH2+]C[C@H]1CCCO1)C1CC1 ZINC000237625843 352308599 /nfs/dbraw/zinc/30/85/99/352308599.db2.gz CQQADWJEPQVYRM-YPMHNXCESA-N 2 0 255.362 -0.001 20 0 CBADRP CN1CCO[C@H](C(=O)NC[C@H]2CN(C3CC3)CCO2)C1 ZINC000245469709 352321938 /nfs/dbraw/zinc/32/19/38/352321938.db2.gz VLTGYXQPAWGRJC-STQMWFEESA-N 2 0 283.372 -0.704 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000261908447 352399571 /nfs/dbraw/zinc/39/95/71/352399571.db2.gz WCYVKUJOCPAMOD-LBPRGKRZSA-N 2 0 284.404 -0.264 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000250418938 352372198 /nfs/dbraw/zinc/37/21/98/352372198.db2.gz YSGBRRRCNODYAZ-ZIAGYGMSSA-N 2 0 270.421 -0.722 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000261903622 352400176 /nfs/dbraw/zinc/40/01/76/352400176.db2.gz XAUHXARAMKWVJX-QWHCGFSZSA-N 2 0 268.405 -0.180 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000261921492 352400570 /nfs/dbraw/zinc/40/05/70/352400570.db2.gz XRLWWBDZOVFIAD-LBPRGKRZSA-N 2 0 282.388 -0.510 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]2CCC[N@@H+]2C)CC[NH2+]C1 ZINC000261578426 352388602 /nfs/dbraw/zinc/38/86/02/352388602.db2.gz OYQGWQSQMGHTOE-YPMHNXCESA-N 2 0 255.362 -0.177 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC[NH2+]C1 ZINC000261578425 352389045 /nfs/dbraw/zinc/38/90/45/352389045.db2.gz OYQGWQSQMGHTOE-WCQYABFASA-N 2 0 255.362 -0.177 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H]2CCC[N@@H+]2C)CC[NH2+]C1 ZINC000261578424 352389202 /nfs/dbraw/zinc/38/92/02/352389202.db2.gz OYQGWQSQMGHTOE-DGCLKSJQSA-N 2 0 255.362 -0.177 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261662714 352392623 /nfs/dbraw/zinc/39/26/23/352392623.db2.gz FSXVLIRGNFVGKN-UPJWGTAASA-N 2 0 287.404 -0.034 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@]2(COC)CC[NH2+]C2)CC1 ZINC000261794069 352396500 /nfs/dbraw/zinc/39/65/00/352396500.db2.gz YCAJZNVFYBPJCK-HNNXBMFYSA-N 2 0 299.415 -0.207 20 0 CBADRP Cn1c(CN2CC[C@]3(CC[NH2+]C3)C2)cc(=O)n(C)c1=O ZINC000261836807 352397116 /nfs/dbraw/zinc/39/71/16/352397116.db2.gz VEIHLIUJUFWNQH-AWEZNQCLSA-N 2 0 278.356 -0.731 20 0 CBADRP CCNC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000262147041 352408253 /nfs/dbraw/zinc/40/82/53/352408253.db2.gz QPZVEUZRRKDQHQ-LBPRGKRZSA-N 2 0 282.388 -0.734 20 0 CBADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)C[C@@H]1CCOC1 ZINC000262182139 352409482 /nfs/dbraw/zinc/40/94/82/352409482.db2.gz RCFRNBXQPSZIJC-LBPRGKRZSA-N 2 0 255.362 -0.223 20 0 CBADRP O=C(C1C[NH2+]C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262247854 352412675 /nfs/dbraw/zinc/41/26/75/352412675.db2.gz OYYNGDGNLBDVKU-LBPRGKRZSA-N 2 0 267.373 -0.223 20 0 CBADRP COC[C@H]1CN(CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000262275483 352413679 /nfs/dbraw/zinc/41/36/79/352413679.db2.gz YTXSQUHYKKKPDG-GFCCVEGCSA-N 2 0 271.361 -0.845 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000262375872 352419284 /nfs/dbraw/zinc/41/92/84/352419284.db2.gz MHWYWMVMIVQPGA-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CNC(=O)C[NH3+])C1 ZINC000262436583 352421097 /nfs/dbraw/zinc/42/10/97/352421097.db2.gz TYXVWYYYQKTGPF-TXEJJXNPSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@@H](NC(=O)CNC(=O)C[NH3+])C(C)(C)C[NH+](C)C ZINC000262431996 352421124 /nfs/dbraw/zinc/42/11/24/352421124.db2.gz SPABLSPTVUNWOS-SECBINFHSA-N 2 0 258.366 -0.846 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000262447445 352422213 /nfs/dbraw/zinc/42/22/13/352422213.db2.gz UHERHYBXYOENSU-UPJWGTAASA-N 2 0 269.389 -0.054 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCC[NH3+])CC1=O ZINC000262486628 352423046 /nfs/dbraw/zinc/42/30/46/352423046.db2.gz ZXHMQOBIGCVZNP-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[NH+](CC)CCCCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262471873 352423180 /nfs/dbraw/zinc/42/31/80/352423180.db2.gz WYOLGVVLMBKNQF-NWDGAFQWSA-N 2 0 257.378 -0.053 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000262487906 352423342 /nfs/dbraw/zinc/42/33/42/352423342.db2.gz YWEDQWQBSFOTBP-WHOHXGKFSA-N 2 0 255.362 -0.302 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000262511699 352424496 /nfs/dbraw/zinc/42/44/96/352424496.db2.gz DFLNSEWRNIARPH-NSHDSACASA-N 2 0 277.372 -0.090 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000262513945 352424629 /nfs/dbraw/zinc/42/46/29/352424629.db2.gz MPFABAJCRQHCAK-LPWJVIDDSA-N 2 0 269.389 -0.054 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N[C@@H](C)C[NH3+])CC1=O ZINC000262545451 352425368 /nfs/dbraw/zinc/42/53/68/352425368.db2.gz UVXSUNUSQHYTGD-AVGNSLFASA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NC2CC[NH2+]CC2)CC1=O ZINC000262523148 352425734 /nfs/dbraw/zinc/42/57/34/352425734.db2.gz YJORDPPBDUXNFN-LLVKDONJSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000262721001 352431548 /nfs/dbraw/zinc/43/15/48/352431548.db2.gz FQVGFYXRBQRQKB-AGIUHOORSA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000262764217 352433530 /nfs/dbraw/zinc/43/35/30/352433530.db2.gz IXHQXKSETNZYDY-XQQFMLRXSA-N 2 0 296.415 -0.395 20 0 CBADRP [NH3+]CCN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000263066513 352437856 /nfs/dbraw/zinc/43/78/56/352437856.db2.gz WABZTOXCRUVUPB-VXGBXAGGSA-N 2 0 254.378 -0.475 20 0 CBADRP CC(C)(O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000262010479 352403194 /nfs/dbraw/zinc/40/31/94/352403194.db2.gz TZTRWZPOTJANBM-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+]1CCN(c2ncccc2CNC(=O)C2([NH3+])CC2)CC1 ZINC000262092528 352406462 /nfs/dbraw/zinc/40/64/62/352406462.db2.gz AQNQCNRDJZCVAD-UHFFFAOYSA-N 2 0 289.383 -0.059 20 0 CBADRP NC(=O)NC(=O)CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357094674 303267975 /nfs/dbraw/zinc/26/79/75/303267975.db2.gz ZWPCQOYSIOJFRX-LLVKDONJSA-N 2 0 268.361 -0.107 20 0 CBADRP C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)C1=CC[N@H+](C)CC1 ZINC000289555200 352664452 /nfs/dbraw/zinc/66/44/52/352664452.db2.gz IRRRASCJDQYWCB-LBPRGKRZSA-N 2 0 296.415 -0.227 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[C@]2(CC[NH+](C)C2)C1 ZINC000312734049 352776283 /nfs/dbraw/zinc/77/62/83/352776283.db2.gz TUJWTDRZRYZOOB-CABCVRRESA-N 2 0 285.432 -0.047 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000312734056 352776308 /nfs/dbraw/zinc/77/63/08/352776308.db2.gz TUJWTDRZRYZOOB-LSDHHAIUSA-N 2 0 285.432 -0.047 20 0 CBADRP CO[C@@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)C[C@@H]1OC ZINC000311052817 352764991 /nfs/dbraw/zinc/76/49/91/352764991.db2.gz ILYRPERWAZCTIH-RWMBFGLXSA-N 2 0 258.362 -0.213 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000311104519 352765770 /nfs/dbraw/zinc/76/57/70/352765770.db2.gz SUNIFRQUPFMXSX-NWDGAFQWSA-N 2 0 255.362 -0.097 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000311648861 352769302 /nfs/dbraw/zinc/76/93/02/352769302.db2.gz DKZIRXVEPCZDAT-GFCCVEGCSA-N 2 0 265.361 -0.261 20 0 CBADRP CN(C(=O)C[C@H]1C[NH2+]CCO1)[C@@H]1C[NH+]2CCC1CC2 ZINC000311755240 352770521 /nfs/dbraw/zinc/77/05/21/352770521.db2.gz UHOPBDVSJFBIAZ-QWHCGFSZSA-N 2 0 267.373 -0.083 20 0 CBADRP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@H]1CCCC[C@@H]1O ZINC000328532909 352783787 /nfs/dbraw/zinc/78/37/87/352783787.db2.gz YPNMXLDKPBQFCD-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+](C)CCC1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000330498306 352834113 /nfs/dbraw/zinc/83/41/13/352834113.db2.gz AHGUDBSQQICNFG-UHFFFAOYSA-N 2 0 296.415 -0.392 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)[NH2+]1 ZINC000331378224 352910440 /nfs/dbraw/zinc/91/04/40/352910440.db2.gz HUPIOECCTTXLPZ-IJLUTSLNSA-N 2 0 294.399 -0.452 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)C1 ZINC000331389114 352910914 /nfs/dbraw/zinc/91/09/14/352910914.db2.gz AFRRAMWRQJGWEW-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000331390848 352911117 /nfs/dbraw/zinc/91/11/17/352911117.db2.gz MGDOFNUKSBUJBS-WZRBSPASSA-N 2 0 294.399 -0.594 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000331390838 352911228 /nfs/dbraw/zinc/91/12/28/352911228.db2.gz MGDOFNUKSBUJBS-DMDPSCGWSA-N 2 0 294.399 -0.594 20 0 CBADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000332092147 352934895 /nfs/dbraw/zinc/93/48/95/352934895.db2.gz BSQMQVNRZAVKMZ-XQQFMLRXSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000331428434 352913952 /nfs/dbraw/zinc/91/39/52/352913952.db2.gz VNKLEOXSVJOLCF-TUAOUCFPSA-N 2 0 294.399 -0.323 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C[C@H]1[NH+](C)C ZINC000331456007 352916016 /nfs/dbraw/zinc/91/60/16/352916016.db2.gz HMXAXSYQBYRFLA-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H]1[NH+](C)C ZINC000331456008 352916159 /nfs/dbraw/zinc/91/61/59/352916159.db2.gz HMXAXSYQBYRFLA-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)[C@@H]2C1 ZINC000331515035 352920475 /nfs/dbraw/zinc/92/04/75/352920475.db2.gz MBOLVYSJCGFOCI-FRRDWIJNSA-N 2 0 294.399 -0.593 20 0 CBADRP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[NH+](CC)CC2)C1 ZINC000331521929 352921677 /nfs/dbraw/zinc/92/16/77/352921677.db2.gz JUGMDFGSTABYOZ-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@H](C)[NH2+]1 ZINC000331913147 352927423 /nfs/dbraw/zinc/92/74/23/352927423.db2.gz SZVVJDLXBHILIA-TXEJJXNPSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332184617 352939371 /nfs/dbraw/zinc/93/93/71/352939371.db2.gz AMATUQYZNLVPST-QWHCGFSZSA-N 2 0 294.399 -0.497 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)C[C@H]1[NH3+] ZINC000332263759 352941152 /nfs/dbraw/zinc/94/11/52/352941152.db2.gz UCSLYROOHNFELN-FVCCEPFGSA-N 2 0 294.399 -0.513 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000332328286 352945023 /nfs/dbraw/zinc/94/50/23/352945023.db2.gz NJPQSUFYGMMFLE-GFCCVEGCSA-N 2 0 282.388 -0.639 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332558543 352966008 /nfs/dbraw/zinc/96/60/08/352966008.db2.gz OTXXNJIJAZLICK-NEPJUHHUSA-N 2 0 280.372 -0.839 20 0 CBADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332577637 352968383 /nfs/dbraw/zinc/96/83/83/352968383.db2.gz ADLJBUVWWGIKGP-CHWSQXEVSA-N 2 0 294.399 -0.367 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[N@@H+]1C1CC1 ZINC000333136882 353000132 /nfs/dbraw/zinc/00/01/32/353000132.db2.gz CMBWOBWILPHKJS-AAXDQBDMSA-N 2 0 282.388 -0.414 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)[C@H]1C ZINC000333490473 353001510 /nfs/dbraw/zinc/00/15/10/353001510.db2.gz DFEMGRQAMUUCNL-SRVKXCTJSA-N 2 0 270.377 -0.243 20 0 CBADRP C[N@H+](CCNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000333440249 353001631 /nfs/dbraw/zinc/00/16/31/353001631.db2.gz VYTFXDZHNNUHJG-AWEZNQCLSA-N 2 0 295.431 -0.230 20 0 CBADRP C[NH+]1CCC(C)(CNC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000333670990 353007161 /nfs/dbraw/zinc/00/71/61/353007161.db2.gz NAYJGJCSHFTXGK-UHFFFAOYSA-N 2 0 297.447 -0.077 20 0 CBADRP COCCN1CCN(C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000333760255 353010144 /nfs/dbraw/zinc/01/01/44/353010144.db2.gz AIVRTVYTQJDDSU-GFCCVEGCSA-N 2 0 270.377 -0.288 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2CCC[NH2+]2)C[C@H](C)[N@H+]1CCO ZINC000333830973 353011957 /nfs/dbraw/zinc/01/19/57/353011957.db2.gz MNPFHFINRHXXPP-FRRDWIJNSA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333852114 353012008 /nfs/dbraw/zinc/01/20/08/353012008.db2.gz QEUVBYRMTUIUJR-LBELIVKGSA-N 2 0 282.388 -0.699 20 0 CBADRP O=C(NCC[N@H+]1CC=CCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333826125 353012066 /nfs/dbraw/zinc/01/20/66/353012066.db2.gz LPUXXEOJQGKBGF-GDNZZTSVSA-N 2 0 250.346 -0.235 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCN1CC[NH2+]CC1 ZINC000333857891 353012553 /nfs/dbraw/zinc/01/25/53/353012553.db2.gz RJEUOUNQGHNSBZ-CQSZACIVSA-N 2 0 297.447 -0.125 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000333940036 353014284 /nfs/dbraw/zinc/01/42/84/353014284.db2.gz NSXATRBPVQTAHZ-UONOGXRCSA-N 2 0 295.431 -0.182 20 0 CBADRP C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@H]1CCC[NH+](C)C1 ZINC000336823716 353059894 /nfs/dbraw/zinc/05/98/94/353059894.db2.gz QXXVECNOCQFJCV-LSDHHAIUSA-N 2 0 285.432 -0.047 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCN1CCOCC1 ZINC000336825157 353060349 /nfs/dbraw/zinc/06/03/49/353060349.db2.gz XHWXQBHBHVITAL-UHFFFAOYSA-N 2 0 284.448 -0.112 20 0 CBADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC000336833625 353062254 /nfs/dbraw/zinc/06/22/54/353062254.db2.gz OWNOXFDPHWVDJD-GJZGRUSLSA-N 2 0 283.416 -0.293 20 0 CBADRP CN(CC[N@H+](C)CCN1CCNC1=O)C1CC[NH+](C)CC1 ZINC000336848284 353064357 /nfs/dbraw/zinc/06/43/57/353064357.db2.gz ITJUQEZHZBSTLB-UHFFFAOYSA-N 2 0 297.447 -0.031 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000340117771 353152244 /nfs/dbraw/zinc/15/22/44/353152244.db2.gz FLDTWYINYGUPBD-XQQFMLRXSA-N 2 0 296.415 -0.183 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000340207502 353156765 /nfs/dbraw/zinc/15/67/65/353156765.db2.gz WLWPRTYHKNAKKV-OLZOCXBDSA-N 2 0 296.415 -0.168 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000341273569 353207687 /nfs/dbraw/zinc/20/76/87/353207687.db2.gz WYQDEHUXQONZJO-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C[NH+](C)C ZINC000341259766 353207819 /nfs/dbraw/zinc/20/78/19/353207819.db2.gz LFLDEILNUCQNQC-QWHCGFSZSA-N 2 0 268.405 -0.310 20 0 CBADRP C[NH+](C)CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000341304038 353209529 /nfs/dbraw/zinc/20/95/29/353209529.db2.gz SQFUUOYKILMPIX-JTQLQIEISA-N 2 0 256.350 -0.996 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000342763698 353231903 /nfs/dbraw/zinc/23/19/03/353231903.db2.gz DFZKKVSWAGEESN-SNVBAGLBSA-N 2 0 257.334 -0.523 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000342594521 353223138 /nfs/dbraw/zinc/22/31/38/353223138.db2.gz ZPVNOQGDKZOKNA-JHJVBQTASA-N 2 0 268.405 -0.454 20 0 CBADRP C[C@@]1(CNC(=O)CCOC2C[NH2+]C2)CCC[NH2+]C1 ZINC000342752294 353231361 /nfs/dbraw/zinc/23/13/61/353231361.db2.gz HCOGZJLRMZNLBV-CYBMUJFWSA-N 2 0 255.362 -0.129 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000343130512 353255176 /nfs/dbraw/zinc/25/51/76/353255176.db2.gz PLLPQOBWAPIXFO-KBPBESRZSA-N 2 0 282.432 -0.062 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[NH+](C)C ZINC000343177113 353257793 /nfs/dbraw/zinc/25/77/93/353257793.db2.gz HOLQIIYYSJQKAA-RYUDHWBXSA-N 2 0 254.378 -0.557 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[NH+](C)C ZINC000343177111 353257937 /nfs/dbraw/zinc/25/79/37/353257937.db2.gz HOLQIIYYSJQKAA-NEPJUHHUSA-N 2 0 254.378 -0.557 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343413901 353271191 /nfs/dbraw/zinc/27/11/91/353271191.db2.gz WPTPQWKMPOWTMV-ZIAGYGMSSA-N 2 0 280.416 -0.071 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343413899 353271303 /nfs/dbraw/zinc/27/13/03/353271303.db2.gz WPTPQWKMPOWTMV-KGLIPLIRSA-N 2 0 280.416 -0.071 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000343216975 353260395 /nfs/dbraw/zinc/26/03/95/353260395.db2.gz KPMNBUIQJURYCY-ZIAGYGMSSA-N 2 0 280.416 -0.166 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)CC[N@@H+]1C ZINC000343286216 353263931 /nfs/dbraw/zinc/26/39/31/353263931.db2.gz XORIQPXPXZPCFF-RDBSUJKOSA-N 2 0 280.416 -0.025 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343309108 353267098 /nfs/dbraw/zinc/26/70/98/353267098.db2.gz VYXUCHPKDSZRLK-KBPBESRZSA-N 2 0 280.416 -0.071 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000343309575 353267178 /nfs/dbraw/zinc/26/71/78/353267178.db2.gz MGYNVZHDLWSOEK-UHFFFAOYSA-N 2 0 296.415 -0.251 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343326671 353267608 /nfs/dbraw/zinc/26/76/08/353267608.db2.gz YJJBNFDJYTYFSO-STQMWFEESA-N 2 0 266.389 -0.413 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343324076 353268141 /nfs/dbraw/zinc/26/81/41/353268141.db2.gz PMJCIDPVVBPRDR-OCCSQVGLSA-N 2 0 278.400 -0.271 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000343592138 353280351 /nfs/dbraw/zinc/28/03/51/353280351.db2.gz KMSCHFWEHRBNEM-NGZCFLSTSA-N 2 0 256.350 -0.966 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000343588984 353280410 /nfs/dbraw/zinc/28/04/10/353280410.db2.gz SGFZSNABGRVCQP-KGLIPLIRSA-N 2 0 296.415 -0.787 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000343588973 353280429 /nfs/dbraw/zinc/28/04/29/353280429.db2.gz SGFZSNABGRVCQP-KBPBESRZSA-N 2 0 296.415 -0.787 20 0 CBADRP C[NH+](C)CCNC(=O)C1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000345184066 353314836 /nfs/dbraw/zinc/31/48/36/353314836.db2.gz GOLIFWHCVWNNOZ-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)C1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000345308928 353322259 /nfs/dbraw/zinc/32/22/59/353322259.db2.gz UKCJKWIQHSPNQD-LBPRGKRZSA-N 2 0 252.362 -0.851 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)CCC[N@@H+]1C ZINC000345332519 353323745 /nfs/dbraw/zinc/32/37/45/353323745.db2.gz YKNGZMKKTKHACS-RDBSUJKOSA-N 2 0 280.416 -0.025 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1=O ZINC000346127918 353362693 /nfs/dbraw/zinc/36/26/93/353362693.db2.gz VTQSDMGEXLLGQD-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[N@H+](C)CCNC(=O)CN1CC[NH+](CC)CC1 ZINC000346132083 353362828 /nfs/dbraw/zinc/36/28/28/353362828.db2.gz PJGZBNBQUIJJES-UHFFFAOYSA-N 2 0 256.394 -0.308 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1=O ZINC000346127920 353362874 /nfs/dbraw/zinc/36/28/74/353362874.db2.gz VTQSDMGEXLLGQD-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)C2)C1 ZINC000346325501 353370997 /nfs/dbraw/zinc/37/09/97/353370997.db2.gz NXFKHWUXNBPOPL-HOCLYGCPSA-N 2 0 292.427 -0.070 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)CC[N@@H+]1C ZINC000347993783 353403991 /nfs/dbraw/zinc/40/39/91/353403991.db2.gz BTDPZLCLHXQGMZ-VXGBXAGGSA-N 2 0 284.404 -0.395 20 0 CBADRP C[NH+](C)C1CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000348991899 353443046 /nfs/dbraw/zinc/44/30/46/353443046.db2.gz ODYXWZRHJWGUDY-UHFFFAOYSA-N 2 0 255.362 -0.083 20 0 CBADRP CC[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)CC[N@@H+]1C[C@@H](C)O ZINC000349008823 353444929 /nfs/dbraw/zinc/44/49/29/353444929.db2.gz WTOQIFOCFNMWGY-CHWSQXEVSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000349030088 353445775 /nfs/dbraw/zinc/44/57/75/353445775.db2.gz RJDANARBVYOGBR-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH+](C)[C@@]1(CNC(=O)CCOC2C[NH2+]C2)CCSC1 ZINC000349032658 353445859 /nfs/dbraw/zinc/44/58/59/353445859.db2.gz YCPJFUVIWWBOEA-CYBMUJFWSA-N 2 0 287.429 -0.082 20 0 CBADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)CC(N)=O ZINC000349386433 353452444 /nfs/dbraw/zinc/45/24/44/353452444.db2.gz YZCDEAPHIMHQMC-VXGBXAGGSA-N 2 0 256.394 -0.134 20 0 CBADRP Cn1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])c(=O)n(C)c1=O ZINC000352535827 353491069 /nfs/dbraw/zinc/49/10/69/353491069.db2.gz VYAVOTRIZIBONQ-LBPRGKRZSA-N 2 0 280.372 -0.213 20 0 CBADRP C[C@@H]1C[C@@H](C(=O)N[C@@H](CO)CN2CCOCC2)CC[N@@H+]1C ZINC000351507494 353475929 /nfs/dbraw/zinc/47/59/29/353475929.db2.gz ZQLHGRWZSGAHGA-HZSPNIEDSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000353090556 353520819 /nfs/dbraw/zinc/52/08/19/353520819.db2.gz SQFQPNZRNSPUML-NEPJUHHUSA-N 2 0 271.409 -0.519 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000353160656 353523604 /nfs/dbraw/zinc/52/36/04/353523604.db2.gz DSZNCPNZNCXCMK-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000353210730 353527390 /nfs/dbraw/zinc/52/73/90/353527390.db2.gz ZYKQBLIWHQLUHD-OCCSQVGLSA-N 2 0 296.415 -0.489 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C[NH3+])OC ZINC000353436313 353532560 /nfs/dbraw/zinc/53/25/60/353532560.db2.gz XVIFLNBIVPDLSU-WDEREUQCSA-N 2 0 259.350 -0.813 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC[NH+]1CCCCC1 ZINC000354682482 353577723 /nfs/dbraw/zinc/57/77/23/353577723.db2.gz UVFMFMFQVFKDLN-ZDUSSCGKSA-N 2 0 296.415 -0.153 20 0 CBADRP CC[NH+](CC)CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354690651 353578654 /nfs/dbraw/zinc/57/86/54/353578654.db2.gz LTXLUAYJIHBCBP-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP C[N@H+](CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000354691275 353578968 /nfs/dbraw/zinc/57/89/68/353578968.db2.gz MHLWRHBYISGJML-GFCCVEGCSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000354709737 353579181 /nfs/dbraw/zinc/57/91/81/353579181.db2.gz KDDFOZVJNLYRRZ-AGIUHOORSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)CCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354703592 353579531 /nfs/dbraw/zinc/57/95/31/353579531.db2.gz ZQVFEWVQQMDWFE-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354702464 353579629 /nfs/dbraw/zinc/57/96/29/353579629.db2.gz YHDPSKXKILSDFQ-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH2+]CCC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000357198631 353601438 /nfs/dbraw/zinc/60/14/38/353601438.db2.gz JIXGMNZZFZYOGF-LLVKDONJSA-N 2 0 270.377 -0.701 20 0 CBADRP C[NH2+]CCC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000357198635 353601787 /nfs/dbraw/zinc/60/17/87/353601787.db2.gz JIXGMNZZFZYOGF-NSHDSACASA-N 2 0 270.377 -0.701 20 0 CBADRP C[NH2+]CCC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000357237714 353601823 /nfs/dbraw/zinc/60/18/23/353601823.db2.gz FTBXZLFEMFWUMN-GFCCVEGCSA-N 2 0 256.394 -0.404 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358051854 353621070 /nfs/dbraw/zinc/62/10/70/353621070.db2.gz RYVDPBSWOXHJLA-OCCSQVGLSA-N 2 0 285.388 -0.863 20 0 CBADRP C[N@H+](CC(=O)NC[C@@]1(O)CC[NH+](C)C1)[C@H]1CCSC1 ZINC000358060294 353622941 /nfs/dbraw/zinc/62/29/41/353622941.db2.gz FGCXDCONEDWDDA-AAEUAGOBSA-N 2 0 287.429 -0.394 20 0 CBADRP C[C@@H](C(=O)NCC[NH+](C)C)[C@@H](C)C(=O)NCC[NH+](C)C ZINC000358079793 353625683 /nfs/dbraw/zinc/62/56/83/353625683.db2.gz AJDXFTSVHMTDRV-VXGBXAGGSA-N 2 0 286.420 -0.386 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)CN2CCO[C@H](C[NH3+])C2)CC1 ZINC000358132054 353628369 /nfs/dbraw/zinc/62/83/69/353628369.db2.gz CLQPWDNALYKSFS-CQSZACIVSA-N 2 0 298.431 -0.365 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000358523522 353648989 /nfs/dbraw/zinc/64/89/89/353648989.db2.gz LOWGTAPAWRHPIC-RYUDHWBXSA-N 2 0 299.419 -0.425 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000357904896 353613505 /nfs/dbraw/zinc/61/35/05/353613505.db2.gz BMNRUWDLBPZPKT-KBPBESRZSA-N 2 0 297.399 -0.720 20 0 CBADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000357904034 353613817 /nfs/dbraw/zinc/61/38/17/353613817.db2.gz BMCBGNKTJOWWOU-YPMHNXCESA-N 2 0 299.415 -0.285 20 0 CBADRP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1C[NH2+]CCO1 ZINC000361099375 353660240 /nfs/dbraw/zinc/66/02/40/353660240.db2.gz VQICRVLGLNVVME-QJPTWQEYSA-N 2 0 253.346 -0.521 20 0 CBADRP C[N@H+](CCCO)C1CCN([C@@H]2COC[C@H]2O)CC1 ZINC000361313718 353661034 /nfs/dbraw/zinc/66/10/34/353661034.db2.gz NYSFGLOLUDENSL-CHWSQXEVSA-N 2 0 258.362 -0.475 20 0 CBADRP COCCOCC[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000362827580 353668262 /nfs/dbraw/zinc/66/82/62/353668262.db2.gz AECHZWZMSCTECX-ZDUSSCGKSA-N 2 0 285.388 -0.454 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000364196916 353671031 /nfs/dbraw/zinc/67/10/31/353671031.db2.gz QQZMXEVRCZAMOE-WCQYABFASA-N 2 0 255.362 -0.048 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000364564267 353672057 /nfs/dbraw/zinc/67/20/57/353672057.db2.gz TXNIKMKAUGDAIN-FRRDWIJNSA-N 2 0 267.373 -0.035 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000365085996 353672917 /nfs/dbraw/zinc/67/29/17/353672917.db2.gz SAOUNZIILVHDPW-FRRDWIJNSA-N 2 0 285.388 -0.818 20 0 CBADRP O=C(CCC1CC[NH2+]CC1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367192750 353680729 /nfs/dbraw/zinc/68/07/29/353680729.db2.gz TUGLLZVXBAVOEU-OLZOCXBDSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(C1C[NH2+]C1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000367810097 353683799 /nfs/dbraw/zinc/68/37/99/353683799.db2.gz MWTDJVHSKNSTOQ-NEPJUHHUSA-N 2 0 253.346 -0.737 20 0 CBADRP COCC[NH2+]CCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000368711743 353687225 /nfs/dbraw/zinc/68/72/25/353687225.db2.gz HPILTJVOHMLXFR-LBPRGKRZSA-N 2 0 295.387 -0.227 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000373564423 353733066 /nfs/dbraw/zinc/73/30/66/353733066.db2.gz YDSDLPDMHYBIGI-FRRDWIJNSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)[C@@H]1C[NH2+]CCO1)C2 ZINC000373627369 353734058 /nfs/dbraw/zinc/73/40/58/353734058.db2.gz VKTIICYFAOUGOL-LOWVWBTDSA-N 2 0 253.346 -0.295 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000371226306 353697686 /nfs/dbraw/zinc/69/76/86/353697686.db2.gz QJUTWSUDWRUOBX-CQSZACIVSA-N 2 0 298.431 -0.539 20 0 CBADRP CC[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000371341350 353700685 /nfs/dbraw/zinc/70/06/85/353700685.db2.gz NMNUEWOBMYYAFB-LBPRGKRZSA-N 2 0 254.378 -0.556 20 0 CBADRP C[C@@H](C(=O)NC(N)=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000372993546 353725296 /nfs/dbraw/zinc/72/52/96/353725296.db2.gz SSCNRQYSLAXRPV-UWVGGRQHSA-N 2 0 256.350 -0.014 20 0 CBADRP COCC[C@@]1(C(=O)N(C)[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000373028958 353725653 /nfs/dbraw/zinc/72/56/53/353725653.db2.gz LLVXCORIWGISCF-YPMHNXCESA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000375383582 353759698 /nfs/dbraw/zinc/75/96/98/353759698.db2.gz CXYBGWLAYRWMRU-UNJBNNCHSA-N 2 0 291.399 -0.068 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000375833408 353768098 /nfs/dbraw/zinc/76/80/98/353768098.db2.gz HMLPIDUTAVTVSO-HZSPNIEDSA-N 2 0 297.399 -0.578 20 0 CBADRP C[NH2+]CCC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000375834875 353768218 /nfs/dbraw/zinc/76/82/18/353768218.db2.gz PLJMFNQCVARPLP-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP [NH3+]C1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCCC1 ZINC000375952557 353769748 /nfs/dbraw/zinc/76/97/48/353769748.db2.gz DIOSJKHQYVIVJX-GFCCVEGCSA-N 2 0 266.389 -0.236 20 0 CBADRP C[NH+](C)CC(=O)N1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000376144649 353771836 /nfs/dbraw/zinc/77/18/36/353771836.db2.gz WXRUBMWYLQMJSZ-UHFFFAOYSA-N 2 0 298.431 -0.586 20 0 CBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH2+]C3)C2)CC1 ZINC000377198688 353777876 /nfs/dbraw/zinc/77/78/76/353777876.db2.gz QSTOEYNNHUCFLB-QWHCGFSZSA-N 3 0 280.416 -0.119 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000377560724 353778792 /nfs/dbraw/zinc/77/87/92/353778792.db2.gz FLPNGKNWLFUENT-OUAUKWLOSA-N 2 0 269.345 -0.380 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3C[NH2+]CCO3)CC2)C1 ZINC000378201452 353780200 /nfs/dbraw/zinc/78/02/00/353780200.db2.gz DAMASJPHFPUNOE-KBPBESRZSA-N 2 0 296.415 -0.787 20 0 CBADRP C[C@@H](C(=O)N1CCN([C@@H]2CCCCNC2=O)CC1)[C@H](C)[NH3+] ZINC000373801635 353736525 /nfs/dbraw/zinc/73/65/25/353736525.db2.gz VUOYYFTUIUGBKY-FRRDWIJNSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)[C@H](C(=O)NCCN1CC[NH+](C)CC1)[C@H](C)[NH3+] ZINC000399545898 353797751 /nfs/dbraw/zinc/79/77/51/353797751.db2.gz BQSPJKOQAOJXSS-STQMWFEESA-N 2 0 270.421 -0.031 20 0 CBADRP CC(C)[NH+]1CCN(CCC[NH+]2C[C@@H](O)[C@H](O)C2)CC1 ZINC000407965934 353813967 /nfs/dbraw/zinc/81/39/67/353813967.db2.gz LNVVCOYSUOWNHE-ZIAGYGMSSA-N 2 0 271.405 -0.560 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000388254359 353789861 /nfs/dbraw/zinc/78/98/61/353789861.db2.gz JDTLRCKFMOQHOB-CYBMUJFWSA-N 2 0 273.421 -0.313 20 0 CBADRP COC[C@@]1(C(=O)NCC[N@H+]2CC=CCC2)CC[NH2+]C1 ZINC000392965144 353792465 /nfs/dbraw/zinc/79/24/65/353792465.db2.gz RMHSGTHOCJEUNY-CQSZACIVSA-N 2 0 267.373 -0.009 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000416310064 353968358 /nfs/dbraw/zinc/96/83/58/353968358.db2.gz YKQSJEUKKUZNNE-GFCCVEGCSA-N 2 0 266.389 -0.413 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)NCC(F)(F)CN ZINC000417084871 353975873 /nfs/dbraw/zinc/97/58/73/353975873.db2.gz ATKFROPZXWQCGU-UHFFFAOYSA-N 2 0 282.335 -0.152 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000417446299 353977492 /nfs/dbraw/zinc/97/74/92/353977492.db2.gz KPJSEBWQWSZQMZ-LLVKDONJSA-N 2 0 258.366 -0.384 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCC[N@H+](C)CCOC ZINC000417437400 353977531 /nfs/dbraw/zinc/97/75/31/353977531.db2.gz HFSTUINYHKTXOK-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417437592 353977543 /nfs/dbraw/zinc/97/75/43/353977543.db2.gz HPMWGGKUYHXWJQ-URLYPYJESA-N 2 0 256.350 -0.918 20 0 CBADRP CC[N@H+](CCNC(=O)NCCN1CC[NH2+]CC1)C(C)C ZINC000417462134 353977773 /nfs/dbraw/zinc/97/77/73/353977773.db2.gz MUUKQSBQCSJZAF-UHFFFAOYSA-N 2 0 285.436 -0.079 20 0 CBADRP CC[N@H+](CCNC(=O)N1CCO[C@H](C[NH3+])C1)C1CC1 ZINC000417433089 353978028 /nfs/dbraw/zinc/97/80/28/353978028.db2.gz UYANQUOHPHINOX-GFCCVEGCSA-N 2 0 270.377 -0.160 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000417442286 353978056 /nfs/dbraw/zinc/97/80/56/353978056.db2.gz TWJTZDWXIHJABM-LLVKDONJSA-N 2 0 258.366 -0.303 20 0 CBADRP C[C@@H](CNC(=O)NCCN1CC[NH2+]CC1)[N@H+](C)C1CC1 ZINC000417551284 353979676 /nfs/dbraw/zinc/97/96/76/353979676.db2.gz NVOVZYKHPNAGKW-LBPRGKRZSA-N 2 0 283.420 -0.327 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000417701554 353980876 /nfs/dbraw/zinc/98/08/76/353980876.db2.gz IFIQILXKQCYRDX-SCRDCRAPSA-N 2 0 296.415 -0.117 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417823876 353982949 /nfs/dbraw/zinc/98/29/49/353982949.db2.gz ARXZLPGAFIAAHU-NSHDSACASA-N 2 0 270.377 -0.704 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417788781 353983243 /nfs/dbraw/zinc/98/32/43/353983243.db2.gz UKQUCOMTDNDZRT-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000417776239 353983469 /nfs/dbraw/zinc/98/34/69/353983469.db2.gz AHDZHAHBWVFIRS-JHJVBQTASA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)CCC[N@@H+]1C ZINC000418008756 353986530 /nfs/dbraw/zinc/98/65/30/353986530.db2.gz SROOCKPWBCQLMI-JHJVBQTASA-N 2 0 283.420 -0.328 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCCOCC[NH+](C)C ZINC000418067614 353987257 /nfs/dbraw/zinc/98/72/57/353987257.db2.gz MZXIRRXXLHVTQV-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418068039 353987543 /nfs/dbraw/zinc/98/75/43/353987543.db2.gz NOMKRMNQGYNOAV-LLVKDONJSA-N 2 0 258.366 -0.384 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCOCC[NH+](C)C ZINC000418067260 353987616 /nfs/dbraw/zinc/98/76/16/353987616.db2.gz MLONFPVPYKQCMM-NWDGAFQWSA-N 2 0 272.393 -0.138 20 0 CBADRP C[NH+](C)CC(C)(C)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000418284286 353990080 /nfs/dbraw/zinc/99/00/80/353990080.db2.gz BLWLTNKUKZWWTC-UHFFFAOYSA-N 2 0 285.436 -0.079 20 0 CBADRP C[NH2+]CCCNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000418280277 353990277 /nfs/dbraw/zinc/99/02/77/353990277.db2.gz RGDRMLZDRUBUKW-LBPRGKRZSA-N 2 0 272.393 -0.258 20 0 CBADRP C[C@H]1CCN(C(=O)NCCCN2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000418284278 353990375 /nfs/dbraw/zinc/99/03/75/353990375.db2.gz BJSKSECJIRYJKO-UONOGXRCSA-N 2 0 297.447 -0.092 20 0 CBADRP C[NH2+]CCCNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000418279149 353990567 /nfs/dbraw/zinc/99/05/67/353990567.db2.gz OIOANZOTWSVTLL-NWDGAFQWSA-N 2 0 272.393 -0.308 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000418288559 353991396 /nfs/dbraw/zinc/99/13/96/353991396.db2.gz MPIXUUQDQCJTSE-QWHCGFSZSA-N 2 0 283.420 -0.421 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418364847 353994672 /nfs/dbraw/zinc/99/46/72/353994672.db2.gz HHZHEHSDJWOSIU-RYUDHWBXSA-N 2 0 269.393 -0.669 20 0 CBADRP CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000418455737 353997814 /nfs/dbraw/zinc/99/78/14/353997814.db2.gz HFFFGHILGLTINH-LBPRGKRZSA-N 2 0 284.404 -0.178 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000418365191 353994723 /nfs/dbraw/zinc/99/47/23/353994723.db2.gz DVHSLPBZLRCMCL-OLZOCXBDSA-N 2 0 286.420 -0.012 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000418355363 353995143 /nfs/dbraw/zinc/99/51/43/353995143.db2.gz BJHISNWYMNZQRC-QWHCGFSZSA-N 2 0 284.404 -0.116 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418452056 353997904 /nfs/dbraw/zinc/99/79/04/353997904.db2.gz WUNXAJBQSYPASW-RYUDHWBXSA-N 2 0 271.409 -0.293 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000418382984 353995687 /nfs/dbraw/zinc/99/56/87/353995687.db2.gz INNWANVNVIJPLA-NSHDSACASA-N 2 0 260.382 -0.417 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418433212 353998012 /nfs/dbraw/zinc/99/80/12/353998012.db2.gz CIKSDKCOISHTGA-SNVBAGLBSA-N 2 0 258.366 -0.209 20 0 CBADRP C[C@@H]1C[C@@H](C[N@H+](C)CC(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC000414651142 353963143 /nfs/dbraw/zinc/96/31/43/353963143.db2.gz FFELTSQBZFVGDT-OLZOCXBDSA-N 3 0 268.405 -0.262 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419229586 354039602 /nfs/dbraw/zinc/03/96/02/354039602.db2.gz OXBRERUBSLXBHW-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CCC1 ZINC000419233848 354040034 /nfs/dbraw/zinc/04/00/34/354040034.db2.gz HLKUSSFXBJBBBD-LLVKDONJSA-N 2 0 282.388 -0.463 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCC1 ZINC000419240054 354041059 /nfs/dbraw/zinc/04/10/59/354041059.db2.gz OUXXGDOAVKKHDR-NSHDSACASA-N 2 0 282.388 -0.463 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419278106 354043599 /nfs/dbraw/zinc/04/35/99/354043599.db2.gz AQDCNHCQADFUQO-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418436829 353998211 /nfs/dbraw/zinc/99/82/11/353998211.db2.gz JFRWGOJUEPPSDK-NSHDSACASA-N 2 0 271.409 -0.293 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000418446584 353998229 /nfs/dbraw/zinc/99/82/29/353998229.db2.gz OCRLNJBKGONIKC-LLVKDONJSA-N 2 0 270.377 -0.112 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000418495608 353999118 /nfs/dbraw/zinc/99/91/18/353999118.db2.gz UOTRKTBFLSEJGV-SDDRHHMPSA-N 2 0 270.377 -0.256 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]([NH3+])C2CC2)C[C@H](C)[N@H+]1CCO ZINC000418487047 353999231 /nfs/dbraw/zinc/99/92/31/353999231.db2.gz KKQAQUWITWGWNF-NTZNESFSSA-N 2 0 284.404 -0.180 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418506572 353999781 /nfs/dbraw/zinc/99/97/81/353999781.db2.gz ITEWCVSADWLATR-WDEREUQCSA-N 2 0 258.366 -0.480 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000418509262 353999888 /nfs/dbraw/zinc/99/98/88/353999888.db2.gz NUFLSMPYFZKOFK-NEPJUHHUSA-N 2 0 272.393 -0.009 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)NCC[N@H+](CC)CCO ZINC000418588913 354003311 /nfs/dbraw/zinc/00/33/11/354003311.db2.gz HIEXNXHQSUSVMM-LLVKDONJSA-N 2 0 260.382 -0.402 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000418572174 354003695 /nfs/dbraw/zinc/00/36/95/354003695.db2.gz SFBHDFKLEGIRKH-LBPRGKRZSA-N 2 0 273.425 -0.142 20 0 CBADRP C[NH2+][C@@H](C)CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000418636488 354004402 /nfs/dbraw/zinc/00/44/02/354004402.db2.gz HLTRESZHOGCKRS-QWHCGFSZSA-N 2 0 286.420 -0.014 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418643938 354004535 /nfs/dbraw/zinc/00/45/35/354004535.db2.gz UWOAUSOTRWOEDU-JQWIXIFHSA-N 2 0 258.366 -0.209 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418679414 354005795 /nfs/dbraw/zinc/00/57/95/354005795.db2.gz WUVIOSLTKXKLLU-WYUUTHIRSA-N 2 0 252.362 -0.060 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000418708947 354005979 /nfs/dbraw/zinc/00/59/79/354005979.db2.gz UOJLMFFCZNIFSH-USZNOCQGSA-N 2 0 272.393 -0.181 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418709498 354006198 /nfs/dbraw/zinc/00/61/98/354006198.db2.gz VBOONAPVXDSFFE-GHMZBOCLSA-N 2 0 260.382 -0.058 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCNc1cc[nH+]cc1 ZINC000418704304 354006387 /nfs/dbraw/zinc/00/63/87/354006387.db2.gz RIFRPFHUSHXTCO-NXEZZACHSA-N 2 0 251.334 -0.050 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418812256 354009766 /nfs/dbraw/zinc/00/97/66/354009766.db2.gz WZNVUBICGBMFJR-LLVKDONJSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418830700 354010738 /nfs/dbraw/zinc/01/07/38/354010738.db2.gz JSYLCPYUDIWWOC-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[NH3+])Cc1ccccc1 ZINC000418850377 354012724 /nfs/dbraw/zinc/01/27/24/354012724.db2.gz NUKVAJBFOXTVFG-CYBMUJFWSA-N 2 0 292.383 -0.650 20 0 CBADRP CC[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000418870946 354013388 /nfs/dbraw/zinc/01/33/88/354013388.db2.gz QAVCGSFDOCNNEN-LBPRGKRZSA-N 2 0 298.431 -0.064 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000418880332 354014716 /nfs/dbraw/zinc/01/47/16/354014716.db2.gz VHNNGBNBSLXBFA-NWDGAFQWSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NCC[NH3+])CCCCCC1 ZINC000418907016 354015075 /nfs/dbraw/zinc/01/50/75/354015075.db2.gz XIOZIKCHYKYYBJ-UHFFFAOYSA-N 2 0 284.404 -0.168 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000418916015 354015291 /nfs/dbraw/zinc/01/52/91/354015291.db2.gz QXRJAJMVHBBULJ-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000418913799 354015531 /nfs/dbraw/zinc/01/55/31/354015531.db2.gz ODAYZVIWWMDUFZ-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC[N@@H+]1C ZINC000418972171 354018565 /nfs/dbraw/zinc/01/85/65/354018565.db2.gz YHAUDGGSHAXLCI-RYUDHWBXSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC000418991435 354019768 /nfs/dbraw/zinc/01/97/68/354019768.db2.gz XSODMFFYCCKYEX-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000418989537 354020131 /nfs/dbraw/zinc/02/01/31/354020131.db2.gz UFHFSIZYBKELTG-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419032412 354024950 /nfs/dbraw/zinc/02/49/50/354024950.db2.gz WMQLSZWONGXIHN-YNEHKIRRSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000419029778 354025538 /nfs/dbraw/zinc/02/55/38/354025538.db2.gz SCFZYEXOAMEPKC-TUAOUCFPSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCC[NH3+])C1 ZINC000419046181 354026820 /nfs/dbraw/zinc/02/68/20/354026820.db2.gz PFZJQRIFLLIUDE-NSHDSACASA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419138113 354030482 /nfs/dbraw/zinc/03/04/82/354030482.db2.gz QGCKCMGAEBAWTP-GRYCIOLGSA-N 2 0 284.404 -0.314 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000419135838 354030605 /nfs/dbraw/zinc/03/06/05/354030605.db2.gz NURFGLWWUMUJQY-LLVKDONJSA-N 2 0 286.420 -0.114 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419138115 354030651 /nfs/dbraw/zinc/03/06/51/354030651.db2.gz QGCKCMGAEBAWTP-IJLUTSLNSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H]1[NH3+] ZINC000419139657 354030770 /nfs/dbraw/zinc/03/07/70/354030770.db2.gz SMZDFVKFSFCALK-FDYHWXHSSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419136209 354030798 /nfs/dbraw/zinc/03/07/98/354030798.db2.gz MUXURSGKJSPKEN-AGIUHOORSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000419150234 354032679 /nfs/dbraw/zinc/03/26/79/354032679.db2.gz MCMAHAVNVQWSEX-IJLUTSLNSA-N 2 0 284.404 -0.348 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419155392 354032893 /nfs/dbraw/zinc/03/28/93/354032893.db2.gz SWTABNUXQXCGIC-TUAOUCFPSA-N 2 0 284.404 -0.348 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419153961 354033008 /nfs/dbraw/zinc/03/30/08/354033008.db2.gz QJNMTEAIHPTIKE-GHMZBOCLSA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419154288 354033238 /nfs/dbraw/zinc/03/32/38/354033238.db2.gz RDNPWYRCCBQWJN-IJLUTSLNSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419153384 354033243 /nfs/dbraw/zinc/03/32/43/354033243.db2.gz PSJVXHBGEJFVPT-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000419155809 354034073 /nfs/dbraw/zinc/03/40/73/354034073.db2.gz UPTRQVXXZYJFOP-NEPJUHHUSA-N 2 0 296.415 -0.171 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000419159104 354034503 /nfs/dbraw/zinc/03/45/03/354034503.db2.gz YTEBWDVZQKJFEF-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000419215970 354037215 /nfs/dbraw/zinc/03/72/15/354037215.db2.gz AVYWDVSLKRSKPE-LBPRGKRZSA-N 2 0 280.372 -0.686 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)NCC2([NH3+])CCC2)CCC[N@@H+]1C ZINC000419563353 354061673 /nfs/dbraw/zinc/06/16/73/354061673.db2.gz WHKHSROFXYBJGC-MNOVXSKESA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000419554693 354061885 /nfs/dbraw/zinc/06/18/85/354061885.db2.gz ICLKTGHIIQVXRG-SRVKXCTJSA-N 2 0 282.388 -0.594 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419575746 354062659 /nfs/dbraw/zinc/06/26/59/354062659.db2.gz BCRRLFYUTYDLLW-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[N@H+](C)C1CC1 ZINC000419576850 354062700 /nfs/dbraw/zinc/06/27/00/354062700.db2.gz CNASCCTZLXHGIE-UTUOFQBUSA-N 2 0 296.415 -0.206 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[N@H+](C)C1CC1 ZINC000419575831 354062883 /nfs/dbraw/zinc/06/28/83/354062883.db2.gz BIBDOZGCVAPNHK-CABZTGNLSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000419579429 354063317 /nfs/dbraw/zinc/06/33/17/354063317.db2.gz GAJXYLWGGKYFLN-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000419581581 354063386 /nfs/dbraw/zinc/06/33/86/354063386.db2.gz INYWJVSCFRZQSZ-MNOVXSKESA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])[N@H+](C)C1CC1 ZINC000419579905 354063600 /nfs/dbraw/zinc/06/36/00/354063600.db2.gz GZEZLVWFJAPUSC-SECBINFHSA-N 2 0 270.377 -0.561 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419579896 354063666 /nfs/dbraw/zinc/06/36/66/354063666.db2.gz GXNUMRNJHGXAJA-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419578551 354064208 /nfs/dbraw/zinc/06/42/08/354064208.db2.gz FCGZJWOQENOMPR-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000419581505 354064232 /nfs/dbraw/zinc/06/42/32/354064232.db2.gz IIDNOYPUBZVXRR-RYUDHWBXSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419577368 354064303 /nfs/dbraw/zinc/06/43/03/354064303.db2.gz CYVCPKRDYVBXMC-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419597247 354064651 /nfs/dbraw/zinc/06/46/51/354064651.db2.gz ZWNCMBDOCKBIIB-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000419589624 354065277 /nfs/dbraw/zinc/06/52/77/354065277.db2.gz PIKOVVYAYVGDBW-JTQLQIEISA-N 2 0 256.350 -0.948 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000419593577 354065318 /nfs/dbraw/zinc/06/53/18/354065318.db2.gz SWMMJACYZAIGLS-DGCLKSJQSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[N@H+](C)C1CC1 ZINC000419596382 354065577 /nfs/dbraw/zinc/06/55/77/354065577.db2.gz YAVQXBFWMQSICM-BXKDBHETSA-N 2 0 282.388 -0.561 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000419873632 354087915 /nfs/dbraw/zinc/08/79/15/354087915.db2.gz MWLYZQJQZGDTFX-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000419586403 354065646 /nfs/dbraw/zinc/06/56/46/354065646.db2.gz MWIUAUHUNYADOT-CMPLNLGQSA-N 2 0 284.404 -0.315 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)C(C)C ZINC000419872541 354088005 /nfs/dbraw/zinc/08/80/05/354088005.db2.gz YJPFANBVKFSFJG-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419689649 354069767 /nfs/dbraw/zinc/06/97/67/354069767.db2.gz ATKLWKMPXIQNPU-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)C1CCCC1 ZINC000419694765 354069781 /nfs/dbraw/zinc/06/97/81/354069781.db2.gz LIZSSPYOCVDHQK-CYBMUJFWSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419695483 354069895 /nfs/dbraw/zinc/06/98/95/354069895.db2.gz MXOJABNGGWKERU-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000419693132 354069914 /nfs/dbraw/zinc/06/99/14/354069914.db2.gz IJZNKBWALUZXLM-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419692762 354069967 /nfs/dbraw/zinc/06/99/67/354069967.db2.gz HFHZYSUGKVLRCS-RYUDHWBXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419689646 354069999 /nfs/dbraw/zinc/06/99/99/354069999.db2.gz ATKLWKMPXIQNPU-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419694310 354070066 /nfs/dbraw/zinc/07/00/66/354070066.db2.gz KLHRFGIWTOFGJC-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419697187 354070262 /nfs/dbraw/zinc/07/02/62/354070262.db2.gz QHFMRNKJUWQMGF-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419697456 354070319 /nfs/dbraw/zinc/07/03/19/354070319.db2.gz QRVYOISSEHWVQX-NEPJUHHUSA-N 2 0 294.399 -0.402 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419693456 354070560 /nfs/dbraw/zinc/07/05/60/354070560.db2.gz IPKXCMPTEJHVFB-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H](CCNC(=O)C(=O)N[C@@H](C)C[NH3+])[NH+]1CCCCC1 ZINC000419716100 354071051 /nfs/dbraw/zinc/07/10/51/354071051.db2.gz QCUHZDDPWQVXHW-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419721317 354073008 /nfs/dbraw/zinc/07/30/08/354073008.db2.gz GQRDMIKOSUAGRH-LLVKDONJSA-N 2 0 272.393 -0.456 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000419730513 354073914 /nfs/dbraw/zinc/07/39/14/354073914.db2.gz KCJQQHUDHJOHSE-YPMHNXCESA-N 2 0 296.415 -0.075 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000419730104 354074030 /nfs/dbraw/zinc/07/40/30/354074030.db2.gz JFDZZFPECDUYCM-GFCCVEGCSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NCCC[NH2+]C ZINC000419730975 354074092 /nfs/dbraw/zinc/07/40/92/354074092.db2.gz LDNUMBWVVVZIKJ-UHFFFAOYSA-N 2 0 258.366 -0.830 20 0 CBADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419740805 354074749 /nfs/dbraw/zinc/07/47/49/354074749.db2.gz YFHLRPSUDKADFD-DGCLKSJQSA-N 2 0 294.399 -0.402 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000419740896 354074928 /nfs/dbraw/zinc/07/49/28/354074928.db2.gz YOJXXTFHFDGDTE-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419756695 354075019 /nfs/dbraw/zinc/07/50/19/354075019.db2.gz BFZTYZXUSYDRHX-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000419741279 354075036 /nfs/dbraw/zinc/07/50/36/354075036.db2.gz YWKMUGKBIBUYCZ-ZDUSSCGKSA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419766610 354075621 /nfs/dbraw/zinc/07/56/21/354075621.db2.gz RTLUSTLEGVZCBS-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419763987 354075657 /nfs/dbraw/zinc/07/56/57/354075657.db2.gz OVCWZTBUEJZSLR-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419768426 354076267 /nfs/dbraw/zinc/07/62/67/354076267.db2.gz UKFVLBYOTFUDSN-SNVBAGLBSA-N 2 0 258.366 -0.702 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419770366 354076342 /nfs/dbraw/zinc/07/63/42/354076342.db2.gz DPMYSAZVGKIUNI-XQQFMLRXSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000419769243 354076488 /nfs/dbraw/zinc/07/64/88/354076488.db2.gz DOUZEBLFFPBBMB-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419770347 354076646 /nfs/dbraw/zinc/07/66/46/354076646.db2.gz DNQTZECPGNWPTE-GHMZBOCLSA-N 2 0 272.393 -0.314 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000419767861 354076663 /nfs/dbraw/zinc/07/66/63/354076663.db2.gz TWETZFFRETXODK-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419768403 354076758 /nfs/dbraw/zinc/07/67/58/354076758.db2.gz UJKCBVLGBGMPTQ-NSHDSACASA-N 2 0 272.393 -0.360 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419782468 354077497 /nfs/dbraw/zinc/07/74/97/354077497.db2.gz OPVDSLNSVZFBSD-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419782453 354077708 /nfs/dbraw/zinc/07/77/08/354077708.db2.gz OOLXVNHCLQKEEH-PWSUYJOCSA-N 2 0 284.404 -0.314 20 0 CBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419783846 354077745 /nfs/dbraw/zinc/07/77/45/354077745.db2.gz VRVGAGIVHRJDLA-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000419785074 354077768 /nfs/dbraw/zinc/07/77/68/354077768.db2.gz YHBMNFHIWDOZPU-RYUDHWBXSA-N 2 0 298.431 -0.066 20 0 CBADRP CC(C)[NH+](CCNC(=O)C(=O)N(C)CC[NH3+])C(C)C ZINC000419797935 354078529 /nfs/dbraw/zinc/07/85/29/354078529.db2.gz VXGWBKIAVNALTN-UHFFFAOYSA-N 2 0 272.393 -0.362 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000419813306 354079288 /nfs/dbraw/zinc/07/92/88/354079288.db2.gz GWQJHQSBYPHEIG-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000419810270 354079376 /nfs/dbraw/zinc/07/93/76/354079376.db2.gz LJJQPXOSZVQLJE-AAEUAGOBSA-N 2 0 292.383 -0.131 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000419812003 354079426 /nfs/dbraw/zinc/07/94/26/354079426.db2.gz GILOYEXBDGECPG-FRRDWIJNSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000419820490 354080106 /nfs/dbraw/zinc/08/01/06/354080106.db2.gz KMRAHGLFWOQVOF-GFCCVEGCSA-N 2 0 282.388 -0.734 20 0 CBADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCC[NH3+] ZINC000419819179 354080413 /nfs/dbraw/zinc/08/04/13/354080413.db2.gz PNTVTUKPUCNSJK-UHFFFAOYSA-N 2 0 298.412 -0.287 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000419883360 354088543 /nfs/dbraw/zinc/08/85/43/354088543.db2.gz DDLBWARBVRGNGY-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000419823623 354080458 /nfs/dbraw/zinc/08/04/58/354080458.db2.gz MDPVEDGTRGZHBB-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000419830425 354081183 /nfs/dbraw/zinc/08/11/83/354081183.db2.gz QGUIEIMWNFQCHU-YNEHKIRRSA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000419831936 354081398 /nfs/dbraw/zinc/08/13/98/354081398.db2.gz RGJPZZHNKAGQDM-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000419831932 354081410 /nfs/dbraw/zinc/08/14/10/354081410.db2.gz RGJPZZHNKAGQDM-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCCC[NH3+])C[NH+]1CCCCC1 ZINC000419829674 354081473 /nfs/dbraw/zinc/08/14/73/354081473.db2.gz FBSNOOJMABSCMJ-LBPRGKRZSA-N 2 0 284.404 -0.310 20 0 CBADRP [NH3+]CCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000419837441 354082444 /nfs/dbraw/zinc/08/24/44/354082444.db2.gz MCUCUIXFXGQDQK-CYBMUJFWSA-N 2 0 296.415 -0.072 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000419839760 354082982 /nfs/dbraw/zinc/08/29/82/354082982.db2.gz BONZGDMRKOVYQB-UHFFFAOYSA-N 2 0 286.420 -0.242 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419838554 354083006 /nfs/dbraw/zinc/08/30/06/354083006.db2.gz GBZUBTLSFCONPS-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCC[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000419839250 354083229 /nfs/dbraw/zinc/08/32/29/354083229.db2.gz QBUYNVNNTKWJDT-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NCCC[NH3+] ZINC000419840142 354083275 /nfs/dbraw/zinc/08/32/75/354083275.db2.gz RRVQMCTXTYGQJX-UHFFFAOYSA-N 2 0 296.371 -0.365 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419847374 354083952 /nfs/dbraw/zinc/08/39/52/354083952.db2.gz SZRQLIDZZRKOGY-QWHCGFSZSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419846163 354084052 /nfs/dbraw/zinc/08/40/52/354084052.db2.gz RGSBQXHZLDOJKL-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000419847540 354084254 /nfs/dbraw/zinc/08/42/54/354084254.db2.gz RPMRUVWLNALYIR-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000419849712 354084793 /nfs/dbraw/zinc/08/47/93/354084793.db2.gz ZHVHKGQJWYCHDT-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CCN1C[C@@H](C)N(C(=O)C(=O)NCCC[NH2+]C)C[C@@H]1C ZINC000419849063 354085107 /nfs/dbraw/zinc/08/51/07/354085107.db2.gz WPVSMGWJUSWCCD-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419858552 354085525 /nfs/dbraw/zinc/08/55/25/354085525.db2.gz IFTGGAGRJYMGLU-GFCCVEGCSA-N 2 0 282.388 -0.606 20 0 CBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419861207 354086136 /nfs/dbraw/zinc/08/61/36/354086136.db2.gz LPCXGYJIDRAFCW-CYBMUJFWSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000419867745 354087057 /nfs/dbraw/zinc/08/70/57/354087057.db2.gz QNBLSZQIKUJWKY-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419293049 354044116 /nfs/dbraw/zinc/04/41/16/354044116.db2.gz ZYNPJDUQGDLYRH-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419292757 354044939 /nfs/dbraw/zinc/04/49/39/354044939.db2.gz ZLGWKOJMEMPSLV-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419288172 354044972 /nfs/dbraw/zinc/04/49/72/354044972.db2.gz QZDUQHVKGFETGV-UHFFFAOYSA-N 2 0 284.404 -0.168 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000419315208 354045543 /nfs/dbraw/zinc/04/55/43/354045543.db2.gz JNIVYRHEPYFJTD-NEPJUHHUSA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000419315585 354045708 /nfs/dbraw/zinc/04/57/08/354045708.db2.gz KGVCIGNCFNYQPU-NQBHXWOUSA-N 2 0 296.415 -0.173 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000419322405 354046199 /nfs/dbraw/zinc/04/61/99/354046199.db2.gz SIBHVNDBHQGFJC-QWRGUYRKSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000419322897 354047140 /nfs/dbraw/zinc/04/71/40/354047140.db2.gz SYTYYAOASWUPIH-IJLUTSLNSA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419334314 354047214 /nfs/dbraw/zinc/04/72/14/354047214.db2.gz MZEHJUAWHNLHDE-GXSJLCMTSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000419402633 354050909 /nfs/dbraw/zinc/05/09/09/354050909.db2.gz COUUKCLBNNUMLE-VXGBXAGGSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419402688 354051108 /nfs/dbraw/zinc/05/11/08/354051108.db2.gz CVPGDRACMIKZSP-CHWSQXEVSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000419401974 354051710 /nfs/dbraw/zinc/05/17/10/354051710.db2.gz BQLJVLMUEYRKPP-LBPRGKRZSA-N 2 0 282.388 -0.734 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000419402214 354051739 /nfs/dbraw/zinc/05/17/39/354051739.db2.gz BWFRXXBLBWJTHI-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000419411050 354052308 /nfs/dbraw/zinc/05/23/08/354052308.db2.gz PTUGYQIRWVSYTL-NSHDSACASA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC[NH2+]1 ZINC000419410139 354052642 /nfs/dbraw/zinc/05/26/42/354052642.db2.gz OGJWYVLAHMURLR-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000419413617 354052777 /nfs/dbraw/zinc/05/27/77/354052777.db2.gz SGEHTXCGLKNXTD-CYBMUJFWSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419417644 354053280 /nfs/dbraw/zinc/05/32/80/354053280.db2.gz XKDQVIPLMSBREC-GHMZBOCLSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419419929 354053385 /nfs/dbraw/zinc/05/33/85/354053385.db2.gz JILHMTVHXXZPQN-YPMHNXCESA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000419415155 354053474 /nfs/dbraw/zinc/05/34/74/354053474.db2.gz UUBPQTGDRYARKM-LBPRGKRZSA-N 2 0 284.404 -0.455 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419419086 354053798 /nfs/dbraw/zinc/05/37/98/354053798.db2.gz YVRZDFDOABPREJ-CHWSQXEVSA-N 2 0 298.431 -0.066 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)CC[NH3+])C1CC1 ZINC000419501125 354056078 /nfs/dbraw/zinc/05/60/78/354056078.db2.gz ASAMSSAXOWBLBX-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419501826 354056841 /nfs/dbraw/zinc/05/68/41/354056841.db2.gz CDJSCNYDSPKMDG-RWMBFGLXSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000419519022 354057127 /nfs/dbraw/zinc/05/71/27/354057127.db2.gz FFMVUPGCSXMYDX-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCC[NH3+] ZINC000419522999 354057262 /nfs/dbraw/zinc/05/72/62/354057262.db2.gz NNXVCSSHCOMUBL-JTQLQIEISA-N 2 0 258.366 -0.702 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)C1CC1 ZINC000419522440 354057272 /nfs/dbraw/zinc/05/72/72/354057272.db2.gz MKUYZDBKPCIREE-OAHLLOKOSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419525587 354058407 /nfs/dbraw/zinc/05/84/07/354058407.db2.gz ROQLLZWITDKZOH-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419524518 354058552 /nfs/dbraw/zinc/05/85/52/354058552.db2.gz PXLGORROQHOYSO-NWDGAFQWSA-N 2 0 286.420 -0.195 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419528033 354058662 /nfs/dbraw/zinc/05/86/62/354058662.db2.gz VUDDCPRTFHDCJV-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)CC[NH2+]1 ZINC000419544334 354059946 /nfs/dbraw/zinc/05/99/46/354059946.db2.gz HLCGVNRNEZOEBJ-SDDRHHMPSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)CC[NH2+]1 ZINC000419544342 354060122 /nfs/dbraw/zinc/06/01/22/354060122.db2.gz HLCGVNRNEZOEBJ-WOPDTQHZSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)CC[NH2+]1 ZINC000419544328 354060487 /nfs/dbraw/zinc/06/04/87/354060487.db2.gz HLCGVNRNEZOEBJ-GRYCIOLGSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)C(C)(C)C[NH+](C)C ZINC000419549006 354060586 /nfs/dbraw/zinc/06/05/86/354060586.db2.gz SJPMNYVCARBSHG-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CCC[N@@H+]1C ZINC000419544338 354060617 /nfs/dbraw/zinc/06/06/17/354060617.db2.gz HLCGVNRNEZOEBJ-TUAOUCFPSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)C(C)(C)C[NH+](C)C ZINC000419550619 354061467 /nfs/dbraw/zinc/06/14/67/354061467.db2.gz VCBXMRJFKZINKR-GHMZBOCLSA-N 2 0 284.404 -0.362 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000419881367 354089222 /nfs/dbraw/zinc/08/92/22/354089222.db2.gz WDZPAEURSVEUNH-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000419899347 354091993 /nfs/dbraw/zinc/09/19/93/354091993.db2.gz YOZXIMXTTVBSGT-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419914998 354093542 /nfs/dbraw/zinc/09/35/42/354093542.db2.gz OUWUIBUCYJXTLK-CYBMUJFWSA-N 2 0 292.383 -0.177 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)C(C)C ZINC000419914593 354093651 /nfs/dbraw/zinc/09/36/51/354093651.db2.gz OFMAEYQQBZSXRG-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419930468 354094288 /nfs/dbraw/zinc/09/42/88/354094288.db2.gz AYZZAZLWTQOXBF-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419933263 354094548 /nfs/dbraw/zinc/09/45/48/354094548.db2.gz GGPQCEVNFUYOMU-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CCN1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)C[NH3+])C[C@H]1C ZINC000419944733 354095478 /nfs/dbraw/zinc/09/54/78/354095478.db2.gz BKBZGFVQOAIVGH-TUAOUCFPSA-N 2 0 284.404 -0.362 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419950198 354096235 /nfs/dbraw/zinc/09/62/35/354096235.db2.gz LXNBPGUCCHXZDC-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000419954424 354096288 /nfs/dbraw/zinc/09/62/88/354096288.db2.gz LWVUNNXOQFLGBE-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000419954784 354096497 /nfs/dbraw/zinc/09/64/97/354096497.db2.gz QVRUYVUCLNLKFQ-NSHDSACASA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000419961054 354097276 /nfs/dbraw/zinc/09/72/76/354097276.db2.gz SWNQKVUGBKXCLP-XQQFMLRXSA-N 2 0 298.431 -0.066 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419981655 354099279 /nfs/dbraw/zinc/09/92/79/354099279.db2.gz APODRCMERDYSPN-LLVKDONJSA-N 2 0 272.393 -0.362 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H](C)C[NH2+]C)C1 ZINC000419981308 354099471 /nfs/dbraw/zinc/09/94/71/354099471.db2.gz RXQCJPIFDCYUSO-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000420000115 354100859 /nfs/dbraw/zinc/10/08/59/354100859.db2.gz PKKCBGUWHBDMTH-STQMWFEESA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000420005457 354101109 /nfs/dbraw/zinc/10/11/09/354101109.db2.gz PJFMBCKERPPLFB-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000419996920 354101139 /nfs/dbraw/zinc/10/11/39/354101139.db2.gz OCWSSXUDIQXAKR-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419993726 354101316 /nfs/dbraw/zinc/10/13/16/354101316.db2.gz FWJQFEJCOVWOOC-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000420032733 354104131 /nfs/dbraw/zinc/10/41/31/354104131.db2.gz UTUMIDWTMMXDPG-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000420027331 354104412 /nfs/dbraw/zinc/10/44/12/354104412.db2.gz KVHCWFZCYJMPLF-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420062872 354106171 /nfs/dbraw/zinc/10/61/71/354106171.db2.gz MPGREOFQIJUWGO-LBPRGKRZSA-N 2 0 284.404 -0.362 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420064393 354106674 /nfs/dbraw/zinc/10/66/74/354106674.db2.gz WBBUHRHTXCQWRX-UHFFFAOYSA-N 2 0 272.393 -0.362 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420071950 354107632 /nfs/dbraw/zinc/10/76/32/354107632.db2.gz YOSCHOORRVBSBV-GFCCVEGCSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000420108590 354109022 /nfs/dbraw/zinc/10/90/22/354109022.db2.gz CRDTZNZHWKEUOA-AAEUAGOBSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000420111245 354109228 /nfs/dbraw/zinc/10/92/28/354109228.db2.gz GIPJTEMZQSKRQC-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420095688 354109343 /nfs/dbraw/zinc/10/93/43/354109343.db2.gz SVKOQQBXSHYOAS-NSHDSACASA-N 2 0 282.388 -0.463 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000420152913 354114091 /nfs/dbraw/zinc/11/40/91/354114091.db2.gz ZWLQPWLBUCHDNL-LLVKDONJSA-N 2 0 272.393 -0.360 20 0 CBADRP CCOC(=O)CC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000420294521 354122042 /nfs/dbraw/zinc/12/20/42/354122042.db2.gz OREKPVXSWXXIGU-NSHDSACASA-N 2 0 271.361 -0.274 20 0 CBADRP O=C1CNCCN1[C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420309641 354123161 /nfs/dbraw/zinc/12/31/61/354123161.db2.gz OYEZOYFQLLKQBE-KGLIPLIRSA-N 2 0 280.416 -0.118 20 0 CBADRP COC(=O)[C@H](C)C[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000420354841 354125283 /nfs/dbraw/zinc/12/52/83/354125283.db2.gz DOQHTPOMHAZCHJ-LLVKDONJSA-N 2 0 271.361 -0.451 20 0 CBADRP C[NH2+]CCC[N@H+](C)CCC(=O)N(C)CC(=O)OC ZINC000420388232 354126955 /nfs/dbraw/zinc/12/69/55/354126955.db2.gz LLLFZDPRLNLAAQ-UHFFFAOYSA-N 2 0 259.350 -0.451 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)C[C@H]1[NH3+] ZINC000423232996 354165939 /nfs/dbraw/zinc/16/59/39/354165939.db2.gz DAMBNIQKEFYXIQ-IJLUTSLNSA-N 2 0 282.388 -0.655 20 0 CBADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423201971 354165973 /nfs/dbraw/zinc/16/59/73/354165973.db2.gz JVHUQFIEZADJLS-JSGCOSHPSA-N 2 0 252.406 -0.036 20 0 CBADRP CN(C(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000423273620 354167330 /nfs/dbraw/zinc/16/73/30/354167330.db2.gz LFXLXJWDGVMOFV-AAEUAGOBSA-N 2 0 294.399 -0.369 20 0 CBADRP CC1(C(=O)NCCCC[NH+]2CCOCC2)C[NH2+]C1 ZINC000423346181 354170569 /nfs/dbraw/zinc/17/05/69/354170569.db2.gz ZLUYJSJJGKNJCP-UHFFFAOYSA-N 2 0 255.362 -0.176 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423508014 354178228 /nfs/dbraw/zinc/17/82/28/354178228.db2.gz KISXNVBOYZZHLH-UHFFFAOYSA-N 2 0 284.404 -0.392 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000423394072 354175033 /nfs/dbraw/zinc/17/50/33/354175033.db2.gz ZLAGWKBZVWXQBH-RYUDHWBXSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000423432966 354176724 /nfs/dbraw/zinc/17/67/24/354176724.db2.gz BWLCMORTELBRCA-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000422044308 354142344 /nfs/dbraw/zinc/14/23/44/354142344.db2.gz XLPBOUBCFYIDJG-UONOGXRCSA-N 2 0 280.416 -0.071 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000422614460 354150333 /nfs/dbraw/zinc/15/03/33/354150333.db2.gz YREJKAHBMUDXRZ-NNYUYHANSA-N 2 0 252.362 -0.060 20 0 CBADRP C[NH+](C)CCOCCNC(=O)NC(C)(C)CC[NH3+] ZINC000422619080 354150818 /nfs/dbraw/zinc/15/08/18/354150818.db2.gz MJBFHSHZWDUPPH-UHFFFAOYSA-N 2 0 260.382 -0.009 20 0 CBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000423483652 354177505 /nfs/dbraw/zinc/17/75/05/354177505.db2.gz SRKHBBCMJLFLRE-RYUDHWBXSA-N 2 0 255.362 -0.051 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000422970865 354158283 /nfs/dbraw/zinc/15/82/83/354158283.db2.gz HHOFYQXMHVPYMW-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000422966750 354158541 /nfs/dbraw/zinc/15/85/41/354158541.db2.gz ANJDKRYEKUMKOQ-JTQLQIEISA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422972965 354158855 /nfs/dbraw/zinc/15/88/55/354158855.db2.gz NGEVKSJNIYEGLK-AGIUHOORSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)C[C@H](C)[NH2+]1 ZINC000423058828 354161592 /nfs/dbraw/zinc/16/15/92/354161592.db2.gz DHQSQPOAWULAOF-PHIMTYICSA-N 2 0 270.377 -0.785 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)CC[NH3+])C1 ZINC000423064275 354161782 /nfs/dbraw/zinc/16/17/82/354161782.db2.gz YRFKPJSWILDGPW-LLVKDONJSA-N 2 0 270.377 -0.654 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000423198955 354164723 /nfs/dbraw/zinc/16/47/23/354164723.db2.gz IUTJXWLBPXWZJS-CHWSQXEVSA-N 2 0 294.399 -0.367 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)C1 ZINC000423508281 354178598 /nfs/dbraw/zinc/17/85/98/354178598.db2.gz KROKANGPGGSTRX-LBPRGKRZSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CC[NH2+]1 ZINC000423519878 354178768 /nfs/dbraw/zinc/17/87/68/354178768.db2.gz JOLFCCWNZIHIFB-NSHDSACASA-N 2 0 282.388 -0.641 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423511984 354178846 /nfs/dbraw/zinc/17/88/46/354178846.db2.gz QJDDZUVVQJLLKW-BETUJISGSA-N 2 0 296.415 -0.537 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423573795 354180795 /nfs/dbraw/zinc/18/07/95/354180795.db2.gz ZPWBOSKPVKQIJD-UPJWGTAASA-N 2 0 294.399 -0.369 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000423598569 354183048 /nfs/dbraw/zinc/18/30/48/354183048.db2.gz VYJWHNNOSHLDDI-QWHCGFSZSA-N 2 0 296.415 -0.123 20 0 CBADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423627839 354186398 /nfs/dbraw/zinc/18/63/98/354186398.db2.gz VGEXXVQVGOMNQM-HNNXBMFYSA-N 2 0 294.399 -0.638 20 0 CBADRP CC1(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[NH2+]C1 ZINC000423631124 354186740 /nfs/dbraw/zinc/18/67/40/354186740.db2.gz MAVZGSMNWIHCKN-SECBINFHSA-N 2 0 294.321 -0.452 20 0 CBADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000423638371 354187527 /nfs/dbraw/zinc/18/75/27/354187527.db2.gz DPNMJFBCIWYNPY-IJLUTSLNSA-N 2 0 282.388 -0.655 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1COCCN1CC1CCC1 ZINC000423682136 354190778 /nfs/dbraw/zinc/19/07/78/354190778.db2.gz VRYRDXTWSQNXHZ-MJBXVCDLSA-N 2 0 297.399 -0.816 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1COCCN1CC1CCC1 ZINC000423682135 354191054 /nfs/dbraw/zinc/19/10/54/354191054.db2.gz VRYRDXTWSQNXHZ-MELADBBJSA-N 2 0 297.399 -0.816 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1COCCN1CC1CCC1 ZINC000423682133 354191309 /nfs/dbraw/zinc/19/13/09/354191309.db2.gz VRYRDXTWSQNXHZ-IHRRRGAJSA-N 2 0 297.399 -0.816 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423714756 354192885 /nfs/dbraw/zinc/19/28/85/354192885.db2.gz SODACNIQJLMNDK-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000423704680 354193244 /nfs/dbraw/zinc/19/32/44/354193244.db2.gz MWGSLQDAWYKDFX-LLVKDONJSA-N 2 0 284.404 -0.265 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C[C@@H](C)[NH2+]1 ZINC000423729717 354195141 /nfs/dbraw/zinc/19/51/41/354195141.db2.gz VHDIUFCBMIXJJJ-UPJWGTAASA-N 2 0 296.415 -0.252 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000423748644 354197149 /nfs/dbraw/zinc/19/71/49/354197149.db2.gz URLXSFSQBNJOBB-GFCCVEGCSA-N 2 0 273.377 -0.599 20 0 CBADRP COCC[C@]1(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC[NH2+]C1 ZINC000423755644 354197164 /nfs/dbraw/zinc/19/71/64/354197164.db2.gz KCWJXTMSWNSFEU-DZGCQCFKSA-N 2 0 299.415 -0.208 20 0 CBADRP COC(=O)C1CC[NH+](CCCNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000423762210 354198173 /nfs/dbraw/zinc/19/81/73/354198173.db2.gz TVSLUGLYQLJPFJ-UHFFFAOYSA-N 2 0 297.399 -0.013 20 0 CBADRP COC[C@@]1(C(=O)N2CC[NH+]3CCC2CC3)CC[NH2+]C1 ZINC000423759164 354198762 /nfs/dbraw/zinc/19/87/62/354198762.db2.gz OFNQPKBKBNCLRG-CQSZACIVSA-N 2 0 267.373 -0.081 20 0 CBADRP CN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H](C[NH3+])C1CC1 ZINC000423941845 354206277 /nfs/dbraw/zinc/20/62/77/354206277.db2.gz DFBAQGFLJYHSNE-CHWSQXEVSA-N 2 0 296.415 -0.408 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424055806 354208205 /nfs/dbraw/zinc/20/82/05/354208205.db2.gz FSHAGZQBHACNBE-WDEREUQCSA-N 2 0 278.360 -0.364 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)CCO1 ZINC000424160467 354212547 /nfs/dbraw/zinc/21/25/47/354212547.db2.gz WVAIHMVJGSMPBF-GHMZBOCLSA-N 2 0 293.371 -0.324 20 0 CBADRP C[NH+](C)CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424170672 354214416 /nfs/dbraw/zinc/21/44/16/354214416.db2.gz KKYZJPQOMXTBCO-JTQLQIEISA-N 2 0 266.349 -0.506 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000430792066 354250513 /nfs/dbraw/zinc/25/05/13/354250513.db2.gz GRPNWRQZACWQSI-KGLIPLIRSA-N 2 0 297.399 -0.454 20 0 CBADRP CC(C)([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000430883272 354250545 /nfs/dbraw/zinc/25/05/45/354250545.db2.gz BZZNGTHBIYDFRM-SNVBAGLBSA-N 2 0 270.377 -0.573 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)COC2C[NH2+]C2)C[N@@H+]1C1CC1 ZINC000431027842 354251487 /nfs/dbraw/zinc/25/14/87/354251487.db2.gz YSNMYMVRMDKEFH-NXEZZACHSA-N 2 0 253.346 -0.284 20 0 CBADRP C[C@@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)C[NH+]1CCN(C)CC1 ZINC000431016189 354251692 /nfs/dbraw/zinc/25/16/92/354251692.db2.gz YVUMLOZCEFMTFX-UONOGXRCSA-N 2 0 298.431 -0.635 20 0 CBADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000435873684 354255126 /nfs/dbraw/zinc/25/51/26/354255126.db2.gz FKVRAFZNCYCBJB-CYBMUJFWSA-N 3 0 268.405 -0.260 20 0 CBADRP C[NH2+]CCC[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000435880606 354255373 /nfs/dbraw/zinc/25/53/73/354255373.db2.gz KGKDBZPKKANHSV-CYBMUJFWSA-N 2 0 268.361 -0.094 20 0 CBADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444176840 354263612 /nfs/dbraw/zinc/26/36/12/354263612.db2.gz RHYCRXFALYTCFZ-DGCLKSJQSA-N 2 0 269.389 -0.101 20 0 CBADRP COCC(C)(C)[NH+]1CCN(C(=O)C[C@H](C[NH3+])OC)CC1 ZINC000424217541 354218761 /nfs/dbraw/zinc/21/87/61/354218761.db2.gz MCNJURSFADMLMQ-GFCCVEGCSA-N 2 0 287.404 -0.081 20 0 CBADRP c1cn([C@H]2CCC[N@@H+](CCN3CC[NH2+]CC3)C2)nn1 ZINC000424329508 354222805 /nfs/dbraw/zinc/22/28/05/354222805.db2.gz GPTDYBXYOQDXED-ZDUSSCGKSA-N 2 0 264.377 -0.180 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000446360126 354286619 /nfs/dbraw/zinc/28/66/19/354286619.db2.gz PALDTPKEBUPDLO-PHIMTYICSA-N 2 0 253.346 -0.282 20 0 CBADRP O=C([C@H]1CC[NH2+]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000444267785 354267245 /nfs/dbraw/zinc/26/72/45/354267245.db2.gz IDAMSWOPKLCOOR-NWDGAFQWSA-N 2 0 253.346 -0.471 20 0 CBADRP CC[NH+]1CCN(CC(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000444271220 354267403 /nfs/dbraw/zinc/26/74/03/354267403.db2.gz UIVMQTWDCKZIEV-CYBMUJFWSA-N 2 0 268.405 -0.118 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000454550583 354355692 /nfs/dbraw/zinc/35/56/92/354355692.db2.gz RFUGINRSXDLLQN-NWDGAFQWSA-N 2 0 272.393 -0.044 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CC[NH2+]C2(C)C)CC1=O ZINC000449749898 354321748 /nfs/dbraw/zinc/32/17/48/354321748.db2.gz HDTWULNYJYGZGB-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449726357 354321937 /nfs/dbraw/zinc/32/19/37/354321937.db2.gz KLKXONUSYXEBQT-RWMBFGLXSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[C@H](CO)[N@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000451161445 354334788 /nfs/dbraw/zinc/33/47/88/354334788.db2.gz YNRHMQRHODMYNR-GFCCVEGCSA-N 2 0 257.378 -0.147 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NC[C@H](C)[NH+](C)C ZINC000459042462 354381990 /nfs/dbraw/zinc/38/19/90/354381990.db2.gz OVFOEWNVQRYUSH-NSHDSACASA-N 2 0 260.382 -0.450 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479279197 354407064 /nfs/dbraw/zinc/40/70/64/354407064.db2.gz IKENJHYZPILXDX-WRWGMCAJSA-N 2 0 253.346 -0.548 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000487130847 354412272 /nfs/dbraw/zinc/41/22/72/354412272.db2.gz PXEVKZQZKULQJG-CQSZACIVSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCOCC[NH+](C)C ZINC000487237217 354413148 /nfs/dbraw/zinc/41/31/48/354413148.db2.gz XWPBJUCBFSYDTH-VXGBXAGGSA-N 2 0 257.378 -0.122 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)/C=C/C[NH+](C)C)C1 ZINC000491904850 354462003 /nfs/dbraw/zinc/46/20/03/354462003.db2.gz LAMZGWBBHOAXLP-ZYOFXKKJSA-N 2 0 255.362 -0.059 20 0 CBADRP C[NH+](C)C/C=C\C(=O)NCCN1CC[NH+](C)CC1 ZINC000491889553 354462619 /nfs/dbraw/zinc/46/26/19/354462619.db2.gz WCOUUZLVYZJVEP-PLNGDYQASA-N 2 0 254.378 -0.532 20 0 CBADRP C[NH+](C)C/C=C\C(=O)NCCCNC(=O)/C=C\C[NH+](C)C ZINC000492916283 354485107 /nfs/dbraw/zinc/48/51/07/354485107.db2.gz AMABWDRDAFHZLN-VVRUXRSYSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)C/C=C\C(=O)NCC[N@@H+]1CCCOCC1 ZINC000492016420 354464790 /nfs/dbraw/zinc/46/47/90/354464790.db2.gz OFTIKOUTLWFQPI-HYXAFXHYSA-N 2 0 255.362 -0.057 20 0 CBADRP CCOC(=O)NCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000492969513 354485886 /nfs/dbraw/zinc/48/58/86/354485886.db2.gz UPOXDNBNLWQVEI-UHFFFAOYSA-N 2 0 288.392 -0.316 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000494891898 354496464 /nfs/dbraw/zinc/49/64/64/354496464.db2.gz RDEOAOKZUYTGMJ-UONOGXRCSA-N 2 0 280.416 -0.166 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000515523113 354555996 /nfs/dbraw/zinc/55/59/96/354555996.db2.gz OFXMTXKBSIXWGH-IJLUTSLNSA-N 2 0 269.393 -0.731 20 0 CBADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000518530723 354558373 /nfs/dbraw/zinc/55/83/73/354558373.db2.gz AJQCELXKZZIGCP-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000519543798 354562436 /nfs/dbraw/zinc/56/24/36/354562436.db2.gz NFVMNULNTQGVJG-CHWSQXEVSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH+](C)C[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000519546233 354562576 /nfs/dbraw/zinc/56/25/76/354562576.db2.gz UFANQHZNHRGOOE-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH2+][C@@H](C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000519611454 354565922 /nfs/dbraw/zinc/56/59/22/354565922.db2.gz LHFMFNJHVXPTGU-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[NH2+]3)C2)CC1 ZINC000520576758 354568631 /nfs/dbraw/zinc/56/86/31/354568631.db2.gz UHOVDXJFALKGBA-ZIAGYGMSSA-N 2 0 280.416 -0.025 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529310102 354583424 /nfs/dbraw/zinc/58/34/24/354583424.db2.gz PAZMLBKAUZBNCQ-MNOVXSKESA-N 2 0 256.350 -0.632 20 0 CBADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529388959 354584790 /nfs/dbraw/zinc/58/47/90/354584790.db2.gz VDBARZDHEVIFIB-VXGBXAGGSA-N 2 0 270.377 -0.290 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@H]3COCC[NH2+]3)C[C@@H]21 ZINC000529390168 354585699 /nfs/dbraw/zinc/58/56/99/354585699.db2.gz SZXZFFCQKBGFBQ-MROQNXINSA-N 2 0 282.388 -0.256 20 0 CBADRP [NH3+]C[C@H]1CCCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529390416 354585767 /nfs/dbraw/zinc/58/57/67/354585767.db2.gz TYHFNEDWRBMBJA-MNOVXSKESA-N 2 0 256.350 -0.645 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529390767 354585820 /nfs/dbraw/zinc/58/58/20/354585820.db2.gz VWLGJUQLJFGCBG-RYUDHWBXSA-N 2 0 270.377 -0.255 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3COCC[NH2+]3)C[C@@H]21 ZINC000529390512 354585965 /nfs/dbraw/zinc/58/59/65/354585965.db2.gz VKMWQCIOMURLNH-WOPDTQHZSA-N 2 0 268.361 -0.680 20 0 CBADRP CC1(C)CN(C(=O)NC[C@@H]2COCC[NH2+]2)CC[NH2+]1 ZINC000529390811 354586025 /nfs/dbraw/zinc/58/60/25/354586025.db2.gz WGPPWNCHHPQARE-SNVBAGLBSA-N 2 0 256.350 -0.632 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1coc(C(N)=O)c1 ZINC000546154774 354652293 /nfs/dbraw/zinc/65/22/93/354652293.db2.gz FJSWWAGEQSGEEM-UHFFFAOYSA-N 2 0 296.371 -0.056 20 0 CBADRP C[C@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)[NH+](C)C1CC1 ZINC000546590834 354653129 /nfs/dbraw/zinc/65/31/29/354653129.db2.gz NUORUXPOCVSKGU-RISCZKNCSA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+](C)C1CC1 ZINC000546590832 354653387 /nfs/dbraw/zinc/65/33/87/354653387.db2.gz NUORUXPOCVSKGU-BXUZGUMPSA-N 2 0 284.404 -0.165 20 0 CBADRP C[NH+]1CCC[C@H]1CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000546591310 354653420 /nfs/dbraw/zinc/65/34/20/354653420.db2.gz ZQZLFFCETFMGCW-WCQYABFASA-N 2 0 270.377 -0.554 20 0 CBADRP C[C@@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)[NH+](C)C1CC1 ZINC000546590833 354653652 /nfs/dbraw/zinc/65/36/52/354653652.db2.gz NUORUXPOCVSKGU-FZMZJTMJSA-N 2 0 284.404 -0.165 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000546590487 354653705 /nfs/dbraw/zinc/65/37/05/354653705.db2.gz BXFBFWMGJTWCQE-IUODEOHRSA-N 2 0 296.415 -0.164 20 0 CBADRP Cn1cnc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000536308137 354605526 /nfs/dbraw/zinc/60/55/26/354605526.db2.gz BJJFXKNAJBCLCQ-UHFFFAOYSA-N 2 0 267.377 -0.015 20 0 CBADRP CC(C)NS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000540902140 354622046 /nfs/dbraw/zinc/62/20/46/354622046.db2.gz JRKJUGROIMBMNU-UHFFFAOYSA-N 2 0 280.438 -0.346 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000562800016 354688446 /nfs/dbraw/zinc/68/84/46/354688446.db2.gz DNYYIHODRZSHEE-NDBYEHHHSA-N 2 0 282.388 -0.386 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000562831825 354688919 /nfs/dbraw/zinc/68/89/19/354688919.db2.gz QKDNVESZOOOWNV-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP COCC1(CNC(=O)C[NH2+]C[C@H]2CCCO2)CC[NH2+]CC1 ZINC000562977764 354690564 /nfs/dbraw/zinc/69/05/64/354690564.db2.gz NDOLCSCBJLSLBH-CYBMUJFWSA-N 2 0 299.415 -0.113 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3COCC[NH2+]3)[C@@H]2C1 ZINC000563085684 354695243 /nfs/dbraw/zinc/69/52/43/354695243.db2.gz WQEKWNCQMATYOS-JHJVBQTASA-N 2 0 267.373 -0.083 20 0 CBADRP CC[NH2+]CCCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000563105834 354696500 /nfs/dbraw/zinc/69/65/00/354696500.db2.gz HNJORVWGHBQUID-NSHDSACASA-N 2 0 280.376 -0.068 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CCC[NH2+]C1 ZINC000563106766 354696670 /nfs/dbraw/zinc/69/66/70/354696670.db2.gz APTHCVZUENNOBG-NWDGAFQWSA-N 2 0 282.388 -0.640 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000563117007 354697397 /nfs/dbraw/zinc/69/73/97/354697397.db2.gz RGVNITXEABCISX-UONOGXRCSA-N 2 0 297.399 -0.266 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000563116121 354697748 /nfs/dbraw/zinc/69/77/48/354697748.db2.gz ZIUDNWASYXTLMU-VHSXEESVSA-N 2 0 279.344 -0.795 20 0 CBADRP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)COCc1ccccc1F ZINC000563143663 354699190 /nfs/dbraw/zinc/69/91/90/354699190.db2.gz QVYAAFNAANUZCV-STQMWFEESA-N 2 0 286.347 -0.127 20 0 CBADRP O=C(CCN1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000563150012 354699725 /nfs/dbraw/zinc/69/97/25/354699725.db2.gz SYUMLXOSPCEQAK-CHWSQXEVSA-N 2 0 266.389 -0.508 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000563153897 354699862 /nfs/dbraw/zinc/69/98/62/354699862.db2.gz GGZOVGMYESTJOR-QWRGUYRKSA-N 2 0 255.362 -0.062 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000563153895 354699994 /nfs/dbraw/zinc/69/99/94/354699994.db2.gz GGZOVGMYESTJOR-MNOVXSKESA-N 2 0 255.362 -0.062 20 0 CBADRP C[N@@H+]1CCC[C@@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000563198271 354701961 /nfs/dbraw/zinc/70/19/61/354701961.db2.gz NEOXQXSRUSPDGZ-RYUDHWBXSA-N 2 0 282.388 -0.687 20 0 CBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563167233 354702070 /nfs/dbraw/zinc/70/20/70/354702070.db2.gz ZXONEKZRDLSYFL-DMDPSCGWSA-N 2 0 253.346 -0.689 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000563946438 354708013 /nfs/dbraw/zinc/70/80/13/354708013.db2.gz HGLDHQKIAZLAFW-LLVKDONJSA-N 2 0 282.388 -0.689 20 0 CBADRP CN(C(=O)C1(n2cccn2)CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000564570516 354713680 /nfs/dbraw/zinc/71/36/80/354713680.db2.gz HLAVJXDVTBTVHV-GFCCVEGCSA-N 2 0 277.372 -0.218 20 0 CBADRP C[NH2+][C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000564905444 354719361 /nfs/dbraw/zinc/71/93/61/354719361.db2.gz LXXKITFFLPSVHE-NWDGAFQWSA-N 2 0 265.361 -0.157 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000564922026 354720098 /nfs/dbraw/zinc/72/00/98/354720098.db2.gz DJLKGVKLGHVGMH-RYUDHWBXSA-N 2 0 268.405 -0.121 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000564989223 354724473 /nfs/dbraw/zinc/72/44/73/354724473.db2.gz BYUNEPVPAYDTAU-OLZOCXBDSA-N 3 0 268.405 -0.133 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000565148558 354729354 /nfs/dbraw/zinc/72/93/54/354729354.db2.gz FMZREWQWXHZIOI-QUNCOHTASA-N 2 0 269.345 -0.393 20 0 CBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000565763853 354745757 /nfs/dbraw/zinc/74/57/57/354745757.db2.gz FHYIBIPOVWNONK-VXGBXAGGSA-N 2 0 296.415 -0.441 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CCN2C1=O ZINC000565785939 354746858 /nfs/dbraw/zinc/74/68/58/354746858.db2.gz HMEQTWNUSPZVCM-QWHCGFSZSA-N 2 0 299.334 -0.282 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000565891219 354747393 /nfs/dbraw/zinc/74/73/93/354747393.db2.gz RMULWHRVYUKVKN-GRYCIOLGSA-N 2 0 282.388 -0.641 20 0 CBADRP COCC[C@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000566109973 354752396 /nfs/dbraw/zinc/75/23/96/354752396.db2.gz VNVYPFGBXKUXMZ-QWHCGFSZSA-N 2 0 259.394 -0.391 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N2CCCC[C@H]2CC[NH3+])nn1 ZINC000566102002 354752913 /nfs/dbraw/zinc/75/29/13/354752913.db2.gz DADHOZNUULKNBO-NSHDSACASA-N 2 0 280.376 -0.030 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000566189412 354756145 /nfs/dbraw/zinc/75/61/45/354756145.db2.gz IRFATLNZTKHFTM-AAEUAGOBSA-N 2 0 266.389 -0.367 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000566212325 354757234 /nfs/dbraw/zinc/75/72/34/354757234.db2.gz QCQRKAWIBHMDJG-WTUNAVPPSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000566212751 354757602 /nfs/dbraw/zinc/75/76/02/354757602.db2.gz VSSNNZNWKDWKOS-NTZNESFSSA-N 2 0 255.362 -0.192 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000566206586 354757635 /nfs/dbraw/zinc/75/76/35/354757635.db2.gz RDCCAELQKYIKQB-UWVGGRQHSA-N 2 0 263.345 -0.032 20 0 CBADRP O=C1CC[C@@H](N[C@H]2CCC[NH2+]C2)[C@H](C2CC[NH2+]CC2)N1 ZINC000566229709 354758324 /nfs/dbraw/zinc/75/83/24/354758324.db2.gz MANRIYAVPPGLQU-GUTXKFCHSA-N 2 0 280.416 -0.025 20 0 CBADRP CC1(C)CC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC(C)(C)[NH2+]1 ZINC000566511048 354769918 /nfs/dbraw/zinc/76/99/18/354769918.db2.gz HPYGNKKAWOEYPH-JTQLQIEISA-N 2 0 296.415 -0.110 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C[C@@H]3C[NH2+]CCO3)C[C@H]21 ZINC000566561411 354770890 /nfs/dbraw/zinc/77/08/90/354770890.db2.gz YETKVQSKHSBRHH-FDYHWXHSSA-N 2 0 267.373 -0.049 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])nn1 ZINC000566748486 354774666 /nfs/dbraw/zinc/77/46/66/354774666.db2.gz KXUAMBMHMYUXGY-ZJUUUORDSA-N 2 0 266.349 -0.516 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000566864347 354776455 /nfs/dbraw/zinc/77/64/55/354776455.db2.gz BTIOMUWWSRAWTE-ZJUUUORDSA-N 2 0 268.361 -0.937 20 0 CBADRP CCC[C@H]([NH3+])C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000566915150 354776978 /nfs/dbraw/zinc/77/69/78/354776978.db2.gz TZLKOBGIHPMFCW-SCRDCRAPSA-N 2 0 296.415 -0.123 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000567063210 354780676 /nfs/dbraw/zinc/78/06/76/354780676.db2.gz RQHHZIJOGVTGGE-NEPJUHHUSA-N 2 0 297.403 -0.672 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000567111504 354781503 /nfs/dbraw/zinc/78/15/03/354781503.db2.gz CAKBVNUJMLUZHS-SRVKXCTJSA-N 2 0 283.372 -0.181 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000567108946 354781516 /nfs/dbraw/zinc/78/15/16/354781516.db2.gz IGYVTSXFXHGQRD-WDEREUQCSA-N 2 0 265.313 -0.307 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000567165742 354782299 /nfs/dbraw/zinc/78/22/99/354782299.db2.gz WSZIVWFIORPTDL-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000567384042 354786509 /nfs/dbraw/zinc/78/65/09/354786509.db2.gz OWSDADPZWKCJRU-GFCCVEGCSA-N 2 0 259.350 -0.893 20 0 CBADRP COC[C@@]1(CNC(=O)N(C)CCC[NH3+])CCC[NH2+]1 ZINC000567368656 354786566 /nfs/dbraw/zinc/78/65/66/354786566.db2.gz FTDBNAWZMXRZHJ-LBPRGKRZSA-N 2 0 258.366 -0.255 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)COC1CC[NH2+]CC1 ZINC000565477723 354739022 /nfs/dbraw/zinc/73/90/22/354739022.db2.gz POZPJGUHSAAFSB-ZDUSSCGKSA-N 2 0 299.415 -0.018 20 0 CBADRP O=C([C@H]1CC12CC[NH2+]CC2)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000565537339 354740385 /nfs/dbraw/zinc/74/03/85/354740385.db2.gz BKQCJKATCWBDCS-ZIAGYGMSSA-N 2 0 292.427 -0.118 20 0 CBADRP C[C@@H](C[NH2+]CCOCC[NH+](C)C)S(C)(=O)=O ZINC000565593687 354741345 /nfs/dbraw/zinc/74/13/45/354741345.db2.gz KENXSNJTQNIKFV-JTQLQIEISA-N 2 0 252.380 -0.413 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000567586577 354790428 /nfs/dbraw/zinc/79/04/28/354790428.db2.gz YMBFPVQRZLTHGG-NSHDSACASA-N 2 0 253.346 -0.329 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000567807337 354798195 /nfs/dbraw/zinc/79/81/95/354798195.db2.gz AYJKWTRJLGWPLJ-CABZTGNLSA-N 2 0 289.401 -0.570 20 0 CBADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)[NH3+])C2)CC1 ZINC000567818135 354798827 /nfs/dbraw/zinc/79/88/27/354798827.db2.gz ATGZVFROEIBLQX-CHWSQXEVSA-N 2 0 268.405 -0.040 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000567839311 354800938 /nfs/dbraw/zinc/80/09/38/354800938.db2.gz JJUFXCBKOUGWCA-NWJSVONSSA-N 2 0 297.399 -0.295 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000568857948 354833041 /nfs/dbraw/zinc/83/30/41/354833041.db2.gz WCMVXDVDORNKCT-QJPTWQEYSA-N 2 0 255.362 -0.003 20 0 CBADRP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)Cn1cccn1 ZINC000567875762 354802737 /nfs/dbraw/zinc/80/27/37/354802737.db2.gz KUUKSGXUUTYTNF-STQMWFEESA-N 2 0 268.361 -0.710 20 0 CBADRP C[NH+](C)CCCCC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000567913974 354805075 /nfs/dbraw/zinc/80/50/75/354805075.db2.gz KMKDBVOOPNIXOB-RYUDHWBXSA-N 2 0 257.378 -0.148 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000567925052 354805312 /nfs/dbraw/zinc/80/53/12/354805312.db2.gz BJQPQZZTYCITHN-GFCCVEGCSA-N 2 0 276.340 -0.854 20 0 CBADRP CCC(CC)(C[NH3+])NC(=O)c1cn(CC[NH3+])nn1 ZINC000568110255 354811269 /nfs/dbraw/zinc/81/12/69/354811269.db2.gz PVQJZKNBIWJQQS-UHFFFAOYSA-N 2 0 254.338 -0.516 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)C1 ZINC000568211614 354815290 /nfs/dbraw/zinc/81/52/90/354815290.db2.gz CXDSVAHDNKYVDP-SMDDNHRTSA-N 2 0 267.373 -0.489 20 0 CBADRP Cn1c(CN2CC3CCC2(C[NH3+])CC3)cc(=O)n(C)c1=O ZINC000568245237 354817207 /nfs/dbraw/zinc/81/72/07/354817207.db2.gz GTIVWVSMYAZQGL-UHFFFAOYSA-N 2 0 292.383 -0.213 20 0 CBADRP O=C(CC[NH2+]C1CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000568231647 354817449 /nfs/dbraw/zinc/81/74/49/354817449.db2.gz ZDSAMQIOBLTVPH-CYBMUJFWSA-N 2 0 266.389 -0.365 20 0 CBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000568293819 354821036 /nfs/dbraw/zinc/82/10/36/354821036.db2.gz GCKQQEDUIWQFOG-KBPBESRZSA-N 2 0 297.447 -0.079 20 0 CBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000568294476 354821063 /nfs/dbraw/zinc/82/10/63/354821063.db2.gz SUBMGMAXRFXPMC-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000568390413 354822408 /nfs/dbraw/zinc/82/24/08/354822408.db2.gz MGEWYGMNXVTOIC-NEPJUHHUSA-N 2 0 267.373 -0.177 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000568386302 354822548 /nfs/dbraw/zinc/82/25/48/354822548.db2.gz INAILGYBRWBALO-UHFFFAOYSA-N 2 0 268.405 -0.260 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CCC[NH3+] ZINC000568535088 354827773 /nfs/dbraw/zinc/82/77/73/354827773.db2.gz QBDYAAVMMZAVKM-LBPRGKRZSA-N 2 0 271.409 -0.388 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000568664346 354829339 /nfs/dbraw/zinc/82/93/39/354829339.db2.gz NJVCOVJCXBQEFY-SRVKXCTJSA-N 2 0 282.388 -0.547 20 0 CBADRP CC1(C)CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000568749332 354830547 /nfs/dbraw/zinc/83/05/47/354830547.db2.gz WDYUEVHZKGGHIE-JTQLQIEISA-N 2 0 268.361 -0.935 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCCC[NH2+]C2CC2)CC1=O ZINC000568766849 354831760 /nfs/dbraw/zinc/83/17/60/354831760.db2.gz HRLFPSVPSFVKDR-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CN1C1CC1 ZINC000567684035 354793673 /nfs/dbraw/zinc/79/36/73/354793673.db2.gz AHJSBQLULWXUAJ-FMKPAKJESA-N 2 0 296.459 -0.191 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CN1C1CC1 ZINC000567684037 354793763 /nfs/dbraw/zinc/79/37/63/354793763.db2.gz AHJSBQLULWXUAJ-IJEWVQPXSA-N 2 0 296.459 -0.191 20 0 CBADRP CC(C)(C[NH3+])C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000567671839 354793794 /nfs/dbraw/zinc/79/37/94/354793794.db2.gz KYICJNOYNCSMKC-VIFPVBQESA-N 2 0 296.337 -0.076 20 0 CBADRP C[C@@H]([NH2+]C[C@H](O)CN1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000567711015 354794145 /nfs/dbraw/zinc/79/41/45/354794145.db2.gz XNYPIWFSLKGQPA-HIFRSBDPSA-N 2 0 283.416 -0.081 20 0 CBADRP CO[C@@H]([C@@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C1CC1 ZINC000567695992 354794756 /nfs/dbraw/zinc/79/47/56/354794756.db2.gz LZZVQIMRBJRRPI-YUELXQCFSA-N 2 0 285.432 -0.002 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1C[NH2+]CCO1 ZINC000567725776 354795588 /nfs/dbraw/zinc/79/55/88/354795588.db2.gz JVCJUZOJNKITDD-UWVGGRQHSA-N 2 0 259.375 -0.814 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)NC[C@H]1C[NH2+]CCO1 ZINC000567725777 354795672 /nfs/dbraw/zinc/79/56/72/354795672.db2.gz JVCJUZOJNKITDD-VHSXEESVSA-N 2 0 259.375 -0.814 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000567772275 354796599 /nfs/dbraw/zinc/79/65/99/354796599.db2.gz NAFAXKFRDHRYJK-VXGBXAGGSA-N 2 0 292.387 -0.146 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000570961878 354873508 /nfs/dbraw/zinc/87/35/08/354873508.db2.gz BYJSCOIPWPDLCR-SRVKXCTJSA-N 2 0 282.388 -0.512 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000570961876 354873850 /nfs/dbraw/zinc/87/38/50/354873850.db2.gz BYJSCOIPWPDLCR-QJPTWQEYSA-N 2 0 282.388 -0.512 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000571031364 354875733 /nfs/dbraw/zinc/87/57/33/354875733.db2.gz IZYUNEXYCVOXMO-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000569327505 354842877 /nfs/dbraw/zinc/84/28/77/354842877.db2.gz RRLAMFFDTRSJDC-UONOGXRCSA-N 2 0 280.416 -0.071 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000569694529 354844191 /nfs/dbraw/zinc/84/41/91/354844191.db2.gz XSPVEIUCPSBZTB-PWSUYJOCSA-N 2 0 270.377 -0.717 20 0 CBADRP COCCNC(=O)CN1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000569726362 354844914 /nfs/dbraw/zinc/84/49/14/354844914.db2.gz KYBPBXJAPBSARO-CQSZACIVSA-N 2 0 298.431 -0.634 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000569863668 354848174 /nfs/dbraw/zinc/84/81/74/354848174.db2.gz HJVUTJLUNQBQRZ-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CC[NH2+]CC1 ZINC000569957270 354850204 /nfs/dbraw/zinc/85/02/04/354850204.db2.gz UTNOPWCGAPGBGW-YUTCNCBUSA-N 2 0 279.384 -0.035 20 0 CBADRP CN(C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000570147557 354855981 /nfs/dbraw/zinc/85/59/81/354855981.db2.gz LPKZFEKSDIZYIX-UBHSHLNASA-N 2 0 296.415 -0.023 20 0 CBADRP Cn1nccc1CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000570257538 354857762 /nfs/dbraw/zinc/85/77/62/354857762.db2.gz DDQYJTYFFITWDP-UHFFFAOYSA-N 2 0 281.404 -0.086 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000570329675 354859379 /nfs/dbraw/zinc/85/93/79/354859379.db2.gz DUNIOMJGIYFWNF-MNOVXSKESA-N 2 0 282.388 -0.560 20 0 CBADRP CN1CCN(C(=O)CNC(=O)C2CCCCC2)[C@H](C[NH3+])C1 ZINC000570395129 354860388 /nfs/dbraw/zinc/86/03/88/354860388.db2.gz DTWOCJVWVBLEBC-CYBMUJFWSA-N 2 0 296.415 -0.216 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]([NH3+])CCC(=O)OC ZINC000570449380 354862189 /nfs/dbraw/zinc/86/21/89/354862189.db2.gz ZSRPEMUZNXLPKY-NXEZZACHSA-N 2 0 259.350 -0.099 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCOC2(C)C)CC1 ZINC000573596202 354916842 /nfs/dbraw/zinc/91/68/42/354916842.db2.gz KAMMLEHOUAVCDZ-OLZOCXBDSA-N 2 0 271.405 -0.248 20 0 CBADRP CC1CC[NH+](C[C@H](O)CNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000571998298 354884532 /nfs/dbraw/zinc/88/45/32/354884532.db2.gz RAKGXWNKEBEWCF-VXGBXAGGSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000572032921 354885246 /nfs/dbraw/zinc/88/52/46/354885246.db2.gz FZXPKYHFCDOCLM-AXFHLTTASA-N 2 0 268.361 -0.937 20 0 CBADRP O[C@H]1COCC[N@H+](CCCC[NH+]2CCOC[C@@H](O)C2)C1 ZINC000572031157 354885479 /nfs/dbraw/zinc/88/54/79/354885479.db2.gz DAKYJKMATNOUGX-OKILXGFUSA-N 2 0 288.388 -0.847 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000572119419 354887270 /nfs/dbraw/zinc/88/72/70/354887270.db2.gz KNFPQBCEMAOWTF-SRVKXCTJSA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC000572287784 354890029 /nfs/dbraw/zinc/89/00/29/354890029.db2.gz LRMOVLFTQOTAJY-UKRRQHHQSA-N 2 0 280.416 -0.118 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC000572287783 354890311 /nfs/dbraw/zinc/89/03/11/354890311.db2.gz LRMOVLFTQOTAJY-HIFRSBDPSA-N 2 0 280.416 -0.118 20 0 CBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)COC3C[NH2+]C3)C2)CC1 ZINC000572281775 354890710 /nfs/dbraw/zinc/89/07/10/354890710.db2.gz ROMBSLISEXJEJQ-ZDUSSCGKSA-N 2 0 296.415 -0.787 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000572347029 354891072 /nfs/dbraw/zinc/89/10/72/354891072.db2.gz PJZQAOBAAWISGX-WOPDTQHZSA-N 2 0 254.378 -0.524 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000572638834 354894345 /nfs/dbraw/zinc/89/43/45/354894345.db2.gz DARZVVYLRXRTKE-AVGNSLFASA-N 2 0 266.389 -0.510 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)C[N@@H+]1C1CC1 ZINC000572719348 354895604 /nfs/dbraw/zinc/89/56/04/354895604.db2.gz XFMFUGZKYVOQRB-WDEREUQCSA-N 2 0 292.387 -0.018 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000572736049 354896729 /nfs/dbraw/zinc/89/67/29/354896729.db2.gz IORUWRVNXCEJRE-XQHKEYJVSA-N 2 0 294.399 -0.370 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])nn1 ZINC000572833891 354898868 /nfs/dbraw/zinc/89/88/68/354898868.db2.gz QDARXWLETUWTFD-WDEREUQCSA-N 2 0 280.376 -0.126 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000572878521 354900451 /nfs/dbraw/zinc/90/04/51/354900451.db2.gz MTUSGKLNXLYLAZ-TXEJJXNPSA-N 2 0 267.373 -0.177 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000573019244 354903698 /nfs/dbraw/zinc/90/36/98/354903698.db2.gz RHPSFBWVRGDSOY-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000573075190 354904004 /nfs/dbraw/zinc/90/40/04/354904004.db2.gz NDOFPTVPUAOSIZ-CHWSQXEVSA-N 2 0 294.399 -0.449 20 0 CBADRP C[NH2+][C@@H](C)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000573106419 354904649 /nfs/dbraw/zinc/90/46/49/354904649.db2.gz KJZQTGKHCGWDDJ-RYUDHWBXSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000573217025 354907690 /nfs/dbraw/zinc/90/76/90/354907690.db2.gz XRGKGWDAQXBKPP-KOLCDFICSA-N 2 0 266.345 -0.604 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000573217027 354907775 /nfs/dbraw/zinc/90/77/75/354907775.db2.gz XRGKGWDAQXBKPP-ONGXEEELSA-N 2 0 266.345 -0.604 20 0 CBADRP COC(=O)c1cc(CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c[nH]1 ZINC000573266582 354908907 /nfs/dbraw/zinc/90/89/07/354908907.db2.gz GFSZTEBAVYIKLK-GHMZBOCLSA-N 2 0 292.339 -0.455 20 0 CBADRP CN1CCN(C(=O)CC[N@H+](C)C2CC[NH2+]CC2)CC1 ZINC000573249823 354909145 /nfs/dbraw/zinc/90/91/45/354909145.db2.gz FMVSNVCVQRJZNQ-UHFFFAOYSA-N 3 0 268.405 -0.166 20 0 CBADRP COC(=O)c1cc(CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c[nH]1 ZINC000573266584 354909256 /nfs/dbraw/zinc/90/92/56/354909256.db2.gz GFSZTEBAVYIKLK-QWRGUYRKSA-N 2 0 292.339 -0.455 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CC12CC[NH2+]CC2 ZINC000573368872 354911037 /nfs/dbraw/zinc/91/10/37/354911037.db2.gz ZMLXSQQDFADTMG-RYUDHWBXSA-N 2 0 267.373 -0.129 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000573442364 354913172 /nfs/dbraw/zinc/91/31/72/354913172.db2.gz IWSDDRSWWDGUBC-TUAOUCFPSA-N 2 0 299.419 -0.391 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N[C@H]1CC[NH2+]C1 ZINC000573507449 354915549 /nfs/dbraw/zinc/91/55/49/354915549.db2.gz YRVBNFHBNCKCKP-QJPTWQEYSA-N 2 0 280.372 -0.793 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)[C@@H](C[NH3+])C1 ZINC000571865977 354882599 /nfs/dbraw/zinc/88/25/99/354882599.db2.gz AMOFTWIKIHFXAB-VHSXEESVSA-N 2 0 291.346 -0.732 20 0 CBADRP COC[C@@]1(CNC(=O)C[C@@H]2C[NH2+]CCO2)CCC[NH2+]1 ZINC000573844218 354923413 /nfs/dbraw/zinc/92/34/13/354923413.db2.gz QYGKOPBJKPOHCP-YPMHNXCESA-N 2 0 271.361 -0.750 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000574038768 354927759 /nfs/dbraw/zinc/92/77/59/354927759.db2.gz NYWYTONQDCMNEL-GRYCIOLGSA-N 2 0 253.346 -0.567 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000574142149 354929762 /nfs/dbraw/zinc/92/97/62/354929762.db2.gz IIFFHXMXMFGFPC-ZDUSSCGKSA-N 3 0 287.452 -0.023 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000574200850 354930662 /nfs/dbraw/zinc/93/06/62/354930662.db2.gz ACLBNVCJMLHMEO-CQSZACIVSA-N 2 0 299.415 -0.018 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000575123748 354934469 /nfs/dbraw/zinc/93/44/69/354934469.db2.gz WMCSRPXKRNYOOJ-NNYUYHANSA-N 2 0 296.415 -0.030 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000578131345 354938857 /nfs/dbraw/zinc/93/88/57/354938857.db2.gz UUYNQZNIRJRDLP-GHMZBOCLSA-N 2 0 268.361 -0.806 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000578127178 354939222 /nfs/dbraw/zinc/93/92/22/354939222.db2.gz GNJLPLXZNGPLKC-WISYIIOYSA-N 2 0 255.362 -0.003 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]C1 ZINC000578321626 354942881 /nfs/dbraw/zinc/94/28/81/354942881.db2.gz PDFSEWCBDMMNTQ-LOWVWBTDSA-N 2 0 255.362 -0.131 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000578306473 354943156 /nfs/dbraw/zinc/94/31/56/354943156.db2.gz LBIALCUORZTACR-STQMWFEESA-N 2 0 282.388 -0.388 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000578442547 354946179 /nfs/dbraw/zinc/94/61/79/354946179.db2.gz XGZZAYIXXQQEFO-CHWSQXEVSA-N 2 0 293.371 -0.474 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000578533310 354948882 /nfs/dbraw/zinc/94/88/82/354948882.db2.gz BQXWNXJQESSDAC-LBPRGKRZSA-N 3 0 272.393 -0.719 20 0 CBADRP CC[C@]1(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCC[NH2+]1 ZINC000579025981 354961281 /nfs/dbraw/zinc/96/12/81/354961281.db2.gz OOTQWHAXLCTXDH-UHIISALHSA-N 2 0 280.372 -0.711 20 0 CBADRP CC[C@H]([NH3+])C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000578647852 354952003 /nfs/dbraw/zinc/95/20/03/354952003.db2.gz LOCZWOLIJYCYPK-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000578890274 354957417 /nfs/dbraw/zinc/95/74/17/354957417.db2.gz IEFRSDCQWNIPOZ-UTUOFQBUSA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NC3C[NH2+]C3)C2)CC1 ZINC000578972226 354959171 /nfs/dbraw/zinc/95/91/71/354959171.db2.gz VVVCCBMBXVBVTN-LBPRGKRZSA-N 2 0 294.399 -0.735 20 0 CBADRP OCC[C@@H]1CSCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000579122712 354962832 /nfs/dbraw/zinc/96/28/32/354962832.db2.gz JJTNZTJGGNNZQL-GFCCVEGCSA-N 2 0 259.419 -0.309 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000343897611 291048964 /nfs/dbraw/zinc/04/89/64/291048964.db2.gz XIYLUHUAFZUXRT-WOPDTQHZSA-N 2 0 283.372 -0.038 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](C[C@H]3CCSC3)CCN2C1=O ZINC000579259612 354967354 /nfs/dbraw/zinc/96/73/54/354967354.db2.gz XWULAFZTZYYHPO-GMTAPVOTSA-N 2 0 255.387 -0.017 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000579370330 354968915 /nfs/dbraw/zinc/96/89/15/354968915.db2.gz FSQNLESYHYTTOD-CHWSQXEVSA-N 2 0 268.405 -0.038 20 0 CBADRP CC(C)[C@H](C[NH2+]CCC(=O)NC(N)=O)N1CC[NH+](C)CC1 ZINC000579583285 354974030 /nfs/dbraw/zinc/97/40/30/354974030.db2.gz MNKQGEQANOGBSA-LBPRGKRZSA-N 2 0 299.419 -0.567 20 0 CBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000579594048 354974983 /nfs/dbraw/zinc/97/49/83/354974983.db2.gz UQLYYDZDAKNUCK-RWMBFGLXSA-N 2 0 267.373 -0.300 20 0 CBADRP C[NH2+]CCC1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000579708872 354977007 /nfs/dbraw/zinc/97/70/07/354977007.db2.gz OOOUPDRSQVXCIY-UHFFFAOYSA-N 2 0 255.362 -0.177 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000579830856 354980112 /nfs/dbraw/zinc/98/01/12/354980112.db2.gz YEDZKTFIPJDAMK-GHMZBOCLSA-N 2 0 270.377 -0.717 20 0 CBADRP CO[C@@H]1CCN(C(=O)CCOC2C[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000579946027 354982940 /nfs/dbraw/zinc/98/29/40/354982940.db2.gz MENYVISKJPQQSH-GHMZBOCLSA-N 2 0 271.361 -0.670 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000580074886 354987169 /nfs/dbraw/zinc/98/71/69/354987169.db2.gz MCBIVXFQZSZIIE-LBPRGKRZSA-N 2 0 277.372 -0.218 20 0 CBADRP [NH3+]C[C@H]1CN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000580075817 354988312 /nfs/dbraw/zinc/98/83/12/354988312.db2.gz ZMQDPVKBPDXSBH-KKUMJFAQSA-N 2 0 279.384 -0.423 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000580097783 354989073 /nfs/dbraw/zinc/98/90/73/354989073.db2.gz ZXCKEVAMUNVEAG-UHFFFAOYSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000580201229 354990766 /nfs/dbraw/zinc/99/07/66/354990766.db2.gz CJCAJVGODMKEOS-TUAOUCFPSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000580292270 354991964 /nfs/dbraw/zinc/99/19/64/354991964.db2.gz UYMZLGCJWUJMLT-QWHCGFSZSA-N 2 0 296.415 -0.441 20 0 CBADRP C[NH+](C)CCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000580309086 354992523 /nfs/dbraw/zinc/99/25/23/354992523.db2.gz CXEJKCMMJWNDHK-SNVBAGLBSA-N 2 0 266.349 -0.679 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000580323834 354993608 /nfs/dbraw/zinc/99/36/08/354993608.db2.gz LRAIGPGNUUYBOW-SDDRHHMPSA-N 2 0 271.409 -0.343 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C1(C)C[NH2+]C1 ZINC000580323331 354993675 /nfs/dbraw/zinc/99/36/75/354993675.db2.gz SOYJSQYUMFVHFV-UHFFFAOYSA-N 2 0 268.405 -0.308 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC(=O)N1 ZINC000580740424 354996639 /nfs/dbraw/zinc/99/66/39/354996639.db2.gz NSUNMYUZTNGIMY-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000580823787 354998753 /nfs/dbraw/zinc/99/87/53/354998753.db2.gz YDJWFWGZSASZPJ-HZSPNIEDSA-N 2 0 295.431 -0.341 20 0 CBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000580942754 355001460 /nfs/dbraw/zinc/00/14/60/355001460.db2.gz ZYJUPBBEJCFBOZ-LBPRGKRZSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000580942127 355001652 /nfs/dbraw/zinc/00/16/52/355001652.db2.gz LFNAFGHGZAABIT-KOLCDFICSA-N 2 0 268.361 -0.937 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000580950046 355001833 /nfs/dbraw/zinc/00/18/33/355001833.db2.gz BQWYLYHEVUFNDY-VXGBXAGGSA-N 2 0 254.378 -0.524 20 0 CBADRP CN1CCC[C@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000584524809 355031368 /nfs/dbraw/zinc/03/13/68/355031368.db2.gz JQQVETSWLWEDFS-UONOGXRCSA-N 2 0 270.421 -0.722 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000584720032 355035822 /nfs/dbraw/zinc/03/58/22/355035822.db2.gz DCUPSOAUXCICNS-GFCCVEGCSA-N 2 0 291.417 -0.538 20 0 CBADRP CC[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000584716274 355035922 /nfs/dbraw/zinc/03/59/22/355035922.db2.gz FYXDIQOJHGQDOH-NWDGAFQWSA-N 2 0 256.394 -0.277 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000584871584 355040845 /nfs/dbraw/zinc/04/08/45/355040845.db2.gz HZLLJKPJOVOBFT-BXUZGUMPSA-N 2 0 282.388 -0.411 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000581368354 355005461 /nfs/dbraw/zinc/00/54/61/355005461.db2.gz BYYATIQTIULSKF-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CCN2C1=O ZINC000582252998 355013105 /nfs/dbraw/zinc/01/31/05/355013105.db2.gz YQXKOVDHARHQKQ-NEPJUHHUSA-N 2 0 292.383 -0.615 20 0 CBADRP COC(=O)C[C@@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000583565479 355020135 /nfs/dbraw/zinc/02/01/35/355020135.db2.gz ZZAXMAZUTBNBML-LBPRGKRZSA-N 2 0 255.362 -0.081 20 0 CBADRP COC(=O)C[C@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000583565478 355020162 /nfs/dbraw/zinc/02/01/62/355020162.db2.gz ZZAXMAZUTBNBML-GFCCVEGCSA-N 2 0 255.362 -0.081 20 0 CBADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000583872465 355024244 /nfs/dbraw/zinc/02/42/44/355024244.db2.gz JXYRMNPUQUCUQU-STQMWFEESA-N 2 0 268.405 -0.180 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000583937754 355025263 /nfs/dbraw/zinc/02/52/63/355025263.db2.gz ZYWAOUVJQJGODX-NWDGAFQWSA-N 2 0 255.362 -0.348 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCCC1 ZINC000584039205 355026979 /nfs/dbraw/zinc/02/69/79/355026979.db2.gz HVAJGFWBTNIZOM-UHFFFAOYSA-N 2 0 284.404 -0.439 20 0 CBADRP C[NH+](C)C[C@H]1CCCCN1C(=O)CN1CCNCC1=O ZINC000584051290 355028407 /nfs/dbraw/zinc/02/84/07/355028407.db2.gz QMKGHHDURAUEEC-GFCCVEGCSA-N 2 0 282.388 -0.639 20 0 CBADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)COC1C[NH2+]C1 ZINC000584051866 355028423 /nfs/dbraw/zinc/02/84/23/355028423.db2.gz WJAMLYHUQWSDJS-UHFFFAOYSA-N 2 0 292.383 -0.040 20 0 CBADRP NC(=O)NC(=O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000591726571 355111230 /nfs/dbraw/zinc/11/12/30/355111230.db2.gz PSTMUFPMFSHAOP-VHSXEESVSA-N 2 0 254.334 -0.212 20 0 CBADRP NC(=O)NC(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000591726569 355111444 /nfs/dbraw/zinc/11/14/44/355111444.db2.gz PSTMUFPMFSHAOP-NXEZZACHSA-N 2 0 254.334 -0.212 20 0 CBADRP Cc1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CC2 ZINC000591910358 355118089 /nfs/dbraw/zinc/11/80/89/355118089.db2.gz WMUHVEBWYFRTJI-STQMWFEESA-N 2 0 279.388 -0.052 20 0 CBADRP CN(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(=O)C1CC1 ZINC000590817177 355088863 /nfs/dbraw/zinc/08/88/63/355088863.db2.gz QEGZZXXOCBMZIH-UHFFFAOYSA-N 2 0 298.431 -0.193 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000591354703 355093712 /nfs/dbraw/zinc/09/37/12/355093712.db2.gz PLEJKSJPPWUJEE-SDDRHHMPSA-N 2 0 283.372 -0.262 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000592548425 355160844 /nfs/dbraw/zinc/16/08/44/355160844.db2.gz PRGKOEPEWYXUJI-GHMZBOCLSA-N 2 0 269.345 -0.651 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000592554497 355162988 /nfs/dbraw/zinc/16/29/88/355162988.db2.gz MVLUBHRFURLTGD-SUNKGSAMSA-N 2 0 281.356 -0.651 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592245860 355145404 /nfs/dbraw/zinc/14/54/04/355145404.db2.gz JCMSMCDNDSGJCG-KXUCPTDWSA-N 2 0 255.318 -0.913 20 0 CBADRP CSCC[C@H]([NH3+])C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592307857 355147377 /nfs/dbraw/zinc/14/73/77/355147377.db2.gz JULJATJYIOAYPL-LPEHRKFASA-N 2 0 261.391 -0.359 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000592329284 355148113 /nfs/dbraw/zinc/14/81/13/355148113.db2.gz WAUZKNFSDPWFAT-LBPRGKRZSA-N 2 0 277.324 -0.204 20 0 CBADRP COC[C@@]1(CNC(=O)[C@H]([NH3+])CCSC)CCC[NH2+]1 ZINC000592338389 355148842 /nfs/dbraw/zinc/14/88/42/355148842.db2.gz YSKSNSVUBZXMAZ-PWSUYJOCSA-N 2 0 275.418 -0.048 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000592471536 355155663 /nfs/dbraw/zinc/15/56/63/355155663.db2.gz YDWADRDPFPONDJ-SNVBAGLBSA-N 2 0 257.334 -0.712 20 0 CBADRP NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492179 355158351 /nfs/dbraw/zinc/15/83/51/355158351.db2.gz USCZOBZLSOQNEY-GHMZBOCLSA-N 2 0 268.361 -0.107 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C1CC[NH+](C)CC1 ZINC000592962450 355187518 /nfs/dbraw/zinc/18/75/18/355187518.db2.gz GDAGZEADUFJNAG-GFCCVEGCSA-N 2 0 283.372 -0.308 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@H]([NH3+])CCC(=O)OC)C[C@H]1C[NH3+] ZINC000593916499 355230068 /nfs/dbraw/zinc/23/00/68/355230068.db2.gz LUQKVEWTTBIKGP-GMTAPVOTSA-N 2 0 287.360 -0.911 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000594443662 355248651 /nfs/dbraw/zinc/24/86/51/355248651.db2.gz HMGPXPMLPBKPEF-HUBLWGQQSA-N 2 0 295.383 -0.260 20 0 CBADRP NC(=O)NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000593731548 355217649 /nfs/dbraw/zinc/21/76/49/355217649.db2.gz ZTQFUZVFIBEFAB-IJLUTSLNSA-N 2 0 298.387 -0.068 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419425850 295901438 /nfs/dbraw/zinc/90/14/38/295901438.db2.gz PUZADXIRAZDZGU-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)([NH3+])CCC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594873946 355266342 /nfs/dbraw/zinc/26/63/42/355266342.db2.gz WEQLJNHWHXUFET-ZJUUUORDSA-N 2 0 268.361 -0.726 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C3([NH3+])CCCC3)CCN2C1=O ZINC000594873871 355266389 /nfs/dbraw/zinc/26/63/89/355266389.db2.gz OQILBKZJZIJWAL-VHSXEESVSA-N 2 0 266.345 -0.972 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])CCN2C1=O ZINC000594878294 355266758 /nfs/dbraw/zinc/26/67/58/355266758.db2.gz FHDQZUPXBVXMCW-NNYUYHANSA-N 2 0 280.372 -0.726 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594878297 355266836 /nfs/dbraw/zinc/26/68/36/355266836.db2.gz FHDQZUPXBVXMCW-YFKTTZPYSA-N 2 0 280.372 -0.726 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[N@@H+]1C ZINC000594877965 355267136 /nfs/dbraw/zinc/26/71/36/355267136.db2.gz ITOWAGBRVOUPGX-DDHJBXDOSA-N 2 0 280.372 -0.903 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594880428 355267858 /nfs/dbraw/zinc/26/78/58/355267858.db2.gz MNRBRGSKCFSAES-USZNOCQGSA-N 2 0 280.372 -0.868 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)CCN2C1=O ZINC000594879330 355267952 /nfs/dbraw/zinc/26/79/52/355267952.db2.gz MZMCVSGVIGYVGX-NDBYEHHHSA-N 2 0 292.383 -0.713 20 0 CBADRP O[C@@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)C[NH+]1CCCC1 ZINC000595155411 355272897 /nfs/dbraw/zinc/27/28/97/355272897.db2.gz YLTWZTFZPDYXRH-OLZOCXBDSA-N 2 0 279.388 -0.029 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595952360 355326763 /nfs/dbraw/zinc/32/67/63/355326763.db2.gz ZVQUJQKZIIENAC-NXEZZACHSA-N 2 0 259.350 -0.244 20 0 CBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CCN2C1=O ZINC000595266079 355276214 /nfs/dbraw/zinc/27/62/14/355276214.db2.gz YYLLRKWOBMPCSW-RHYQMDGZSA-N 2 0 295.387 -0.790 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC[NH2+]1 ZINC000595264648 355276318 /nfs/dbraw/zinc/27/63/18/355276318.db2.gz DSNNNZZMXZPLMC-KKOKHZNYSA-N 2 0 295.387 -0.920 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CCCC[NH2+]C3)CCN2C1=O ZINC000595266657 355276326 /nfs/dbraw/zinc/27/63/26/355276326.db2.gz AZIDNSLNVKFLBQ-GRYCIOLGSA-N 2 0 295.387 -0.918 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCC3([NH3+])CCCC3)CCN2C1=O ZINC000595270845 355277231 /nfs/dbraw/zinc/27/72/31/355277231.db2.gz MMYZJOGZIZYCSC-WDEREUQCSA-N 2 0 295.387 -0.789 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCC[NH3+] ZINC000419425257 295901894 /nfs/dbraw/zinc/90/18/94/295901894.db2.gz PBDXXBTYBFXIHS-NSHDSACASA-N 2 0 270.377 -0.558 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420398979 291065416 /nfs/dbraw/zinc/06/54/16/291065416.db2.gz HHVQUHWDNLEHDG-RYUDHWBXSA-N 2 0 285.388 -0.075 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420312007 291065008 /nfs/dbraw/zinc/06/50/08/291065008.db2.gz HNDHMEXANOBMEY-GHMZBOCLSA-N 2 0 271.361 -0.323 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)CC[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000598668926 355449021 /nfs/dbraw/zinc/44/90/21/355449021.db2.gz TXZJFJFZKIXMIN-FRRDWIJNSA-N 2 0 294.399 -0.463 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598668674 355449038 /nfs/dbraw/zinc/44/90/38/355449038.db2.gz XMBAULPXIDYEMM-AUTRQRHGSA-N 2 0 255.318 -0.783 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598668677 355449147 /nfs/dbraw/zinc/44/91/47/355449147.db2.gz XMBAULPXIDYEMM-VDDIYKPWSA-N 2 0 255.318 -0.783 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000598668929 355449910 /nfs/dbraw/zinc/44/99/10/355449910.db2.gz TXZJFJFZKIXMIN-YNEHKIRRSA-N 2 0 294.399 -0.463 20 0 CBADRP COC(=O)[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[N@H+](C)C1 ZINC000598793229 355455180 /nfs/dbraw/zinc/45/51/80/355455180.db2.gz XRNWOMKOKYBORR-ZDUSSCGKSA-N 2 0 297.399 -0.109 20 0 CBADRP COC(=O)CCNC(=O)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000600711583 355562451 /nfs/dbraw/zinc/56/24/51/355562451.db2.gz SHMVUVLNZHPODJ-WDEREUQCSA-N 2 0 271.361 -0.085 20 0 CBADRP COC(=O)CCCC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000600707342 355562206 /nfs/dbraw/zinc/56/22/06/355562206.db2.gz YHGLBFMKSFSRCK-UHFFFAOYSA-N 2 0 271.361 -0.307 20 0 CBADRP COC(=O)CCCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000600712032 355562295 /nfs/dbraw/zinc/56/22/95/355562295.db2.gz VOHYPKMXEHGLLO-MNOVXSKESA-N 2 0 269.345 -0.427 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[NH2+]1 ZINC000599933395 355518846 /nfs/dbraw/zinc/51/88/46/355518846.db2.gz JECKMRUBDXVTBH-NOOOWODRSA-N 2 0 295.387 -0.920 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C[NH2+]1 ZINC000599933394 355518956 /nfs/dbraw/zinc/51/89/56/355518956.db2.gz JECKMRUBDXVTBH-KXNHARMFSA-N 2 0 295.387 -0.920 20 0 CBADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000601325535 355585387 /nfs/dbraw/zinc/58/53/87/355585387.db2.gz KVCVBQRDIIJTDV-IRCOFANPSA-N 2 0 253.346 -0.345 20 0 CBADRP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000600734610 355564144 /nfs/dbraw/zinc/56/41/44/355564144.db2.gz HYGPYEFARUPPSP-LLVKDONJSA-N 2 0 288.392 -0.236 20 0 CBADRP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000600942487 355571154 /nfs/dbraw/zinc/57/11/54/355571154.db2.gz IUFPZQDCMAIBAR-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000602493725 355653753 /nfs/dbraw/zinc/65/37/53/355653753.db2.gz PTKMOQOXYHFBTG-UWVGGRQHSA-N 2 0 257.334 -0.652 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC000602492330 355654023 /nfs/dbraw/zinc/65/40/23/355654023.db2.gz PMYPRCRRSJYHER-LLVKDONJSA-N 2 0 283.372 -0.308 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000602532567 355658173 /nfs/dbraw/zinc/65/81/73/355658173.db2.gz YJPHNYJJARPEFA-MNOVXSKESA-N 2 0 271.361 -0.277 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000602528031 355658660 /nfs/dbraw/zinc/65/86/60/355658660.db2.gz ATEZARSKISGPQB-DTWKUNHWSA-N 2 0 255.318 -0.722 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000602582870 355662403 /nfs/dbraw/zinc/66/24/03/355662403.db2.gz YIUQOVDZENVNLR-QWRGUYRKSA-N 2 0 271.361 -0.003 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000602592034 355663841 /nfs/dbraw/zinc/66/38/41/355663841.db2.gz GRLSWLNCEARZPA-NWDGAFQWSA-N 2 0 283.372 -0.181 20 0 CBADRP CC(C)[C@H](C[NH3+])CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000602021605 355625526 /nfs/dbraw/zinc/62/55/26/355625526.db2.gz QBRBGDXOUZPRLV-IJLUTSLNSA-N 2 0 254.378 -0.539 20 0 CBADRP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000602018923 355625802 /nfs/dbraw/zinc/62/58/02/355625802.db2.gz CHQIABIEFGWYGG-UKKRHICBSA-N 2 0 271.361 -0.088 20 0 CBADRP CC(C)[C@H](C[NH3+])CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000602021608 355626072 /nfs/dbraw/zinc/62/60/72/355626072.db2.gz QBRBGDXOUZPRLV-WOPDTQHZSA-N 2 0 254.378 -0.539 20 0 CBADRP C[C@@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000612887598 355854857 /nfs/dbraw/zinc/85/48/57/355854857.db2.gz QREZKGDAPIXEDN-DZGCQCFKSA-N 2 0 297.447 -0.079 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000612979701 355858447 /nfs/dbraw/zinc/85/84/47/355858447.db2.gz IYHUHPFGBZTFOO-FZMZJTMJSA-N 2 0 282.388 -0.506 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612993570 355859736 /nfs/dbraw/zinc/85/97/36/355859736.db2.gz OUNTUYVMCDSQLP-GHMZBOCLSA-N 2 0 268.361 -0.584 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612995697 355860434 /nfs/dbraw/zinc/86/04/34/355860434.db2.gz ZBAZHDDRAPNPPA-LLVKDONJSA-N 2 0 270.377 -0.336 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000613662788 355902890 /nfs/dbraw/zinc/90/28/90/355902890.db2.gz GUQXECICJFMBGM-MCIONIFRSA-N 2 0 280.416 -0.025 20 0 CBADRP C[C@@H](C(=O)N1CCC[C@](O)(C[NH+](C)C)C1)[NH+](C)C ZINC000614066828 355933375 /nfs/dbraw/zinc/93/33/75/355933375.db2.gz KLSFODSAFAQHFA-AAEUAGOBSA-N 2 0 257.378 -0.148 20 0 CBADRP C[NH+](C)C[C@@H](CO)NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000614845393 355988298 /nfs/dbraw/zinc/98/82/98/355988298.db2.gz CNXHBWHGLNXECG-QWRGUYRKSA-N 2 0 275.418 -0.538 20 0 CBADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H](CO)C[NH+](C)C)cn1 ZINC000614846702 355989375 /nfs/dbraw/zinc/98/93/75/355989375.db2.gz HXULLFQISRAESL-CYBMUJFWSA-N 2 0 280.372 -0.205 20 0 CBADRP C[NH+](C)C[C@H](CO)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000614847453 355989424 /nfs/dbraw/zinc/98/94/24/355989424.db2.gz LQADZCMQGDPYBT-LLVKDONJSA-N 2 0 262.313 -0.013 20 0 CBADRP CC[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)[NH+](C)C ZINC000614505820 355965741 /nfs/dbraw/zinc/96/57/41/355965741.db2.gz BCJRNPNTOIHWDD-CHWSQXEVSA-N 2 0 268.405 -0.167 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000614505810 355965937 /nfs/dbraw/zinc/96/59/37/355965937.db2.gz BADSEKBYWSAUHC-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP CC[C@@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[NH+](C)C ZINC000618306644 356186134 /nfs/dbraw/zinc/18/61/34/356186134.db2.gz CQAGSNUUWIPUSJ-LBPRGKRZSA-N 2 0 286.420 -0.195 20 0 CBADRP CC1(OCC(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C[NH2+]C1 ZINC000621698851 356281728 /nfs/dbraw/zinc/28/17/28/356281728.db2.gz GYXFWYKHFWIBOG-ZWNOBZJWSA-N 2 0 253.346 -0.295 20 0 CBADRP CN1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000621624748 356278482 /nfs/dbraw/zinc/27/84/82/356278482.db2.gz WASYUAJZYYOIEN-STQMWFEESA-N 2 0 268.405 -0.133 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000621653646 356278852 /nfs/dbraw/zinc/27/88/52/356278852.db2.gz CNLAPEKCCAFZKK-NEPJUHHUSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)CCOC1C[NH2+]C1)C2 ZINC000621684511 356280640 /nfs/dbraw/zinc/28/06/40/356280640.db2.gz NKECBLQOSZFCIW-MFKMUULPSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1COC3)C2 ZINC000621681790 356280654 /nfs/dbraw/zinc/28/06/54/356280654.db2.gz WVWAMKWIEMCSKJ-IMIFBBOLSA-N 2 0 265.357 -0.438 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621841673 356288757 /nfs/dbraw/zinc/28/87/57/356288757.db2.gz YFPOWDOVTVCJOY-JMSVASOKSA-N 2 0 296.415 -0.217 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000622003952 356298992 /nfs/dbraw/zinc/29/89/92/356298992.db2.gz IFMNFOWONKIANZ-VNHYZAJKSA-N 3 0 280.416 -0.003 20 0 CBADRP C[NH+](C)C1CC(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000622009348 356299022 /nfs/dbraw/zinc/29/90/22/356299022.db2.gz SZAQAGAPCDXMPX-BPCQOVAHSA-N 2 0 266.389 -0.415 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH+]1CCC(O)CC1 ZINC000622658973 356335019 /nfs/dbraw/zinc/33/50/19/356335019.db2.gz OEZMDMDDACZSLF-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP C[NH+](C)[C@@H](CNc1nc(N)[nH+]c(N)n1)Cc1ccccc1 ZINC000623799709 356376344 /nfs/dbraw/zinc/37/63/44/356376344.db2.gz JUAXPYWTTIKJKY-LLVKDONJSA-N 2 0 287.371 -0.297 20 0 CBADRP CCC(CC)[C@@H](CNc1nc(N)[nH+]c(N)n1)[NH+](C)C ZINC000623833774 356377726 /nfs/dbraw/zinc/37/77/26/356377726.db2.gz YYNKWFTYOASROL-SECBINFHSA-N 2 0 267.381 -0.103 20 0 CBADRP CC[N@H+](CCNc1nc(N)[nH+]c(N)n1)CCC(F)(F)F ZINC000624157456 356400016 /nfs/dbraw/zinc/40/00/16/356400016.db2.gz LXOOGXYUGARWOU-UHFFFAOYSA-N 2 0 293.297 -0.195 20 0 CBADRP Nc1nc(NCCC[NH2+]C2CCCCC2)nc(N)[nH+]1 ZINC000623843694 356378532 /nfs/dbraw/zinc/37/85/32/356378532.db2.gz UNFMPJMEZCURRD-UHFFFAOYSA-N 2 0 265.365 -0.157 20 0 CBADRP Nc1nc(NCC[NH+]2CCCCCC2)nc(N)[nH+]1 ZINC000623848096 356379482 /nfs/dbraw/zinc/37/94/82/356379482.db2.gz FLAVHJOOGGAJBM-UHFFFAOYSA-N 2 0 251.338 -0.593 20 0 CBADRP Nc1nc(N2CC[C@H]([NH+]3CCCCC3)C2)nc(N)[nH+]1 ZINC000623955123 356384674 /nfs/dbraw/zinc/38/46/74/356384674.db2.gz NDZZJAQCHXWTDE-VIFPVBQESA-N 2 0 263.349 -0.239 20 0 CBADRP CC[NH+](CC)C[C@@H]1CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624005362 356388053 /nfs/dbraw/zinc/38/80/53/356388053.db2.gz OUHZHZKANLSJHB-VIFPVBQESA-N 2 0 265.365 -0.135 20 0 CBADRP CC[NH+](CC)CCO[C@@H]1CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624014042 356388950 /nfs/dbraw/zinc/38/89/50/356388950.db2.gz PUPHLUYVZBDSCB-SNVBAGLBSA-N 2 0 295.391 -0.366 20 0 CBADRP Nc1nc(NC2CC[NH+](C3CCCC3)CC2)nc(N)[nH+]1 ZINC000624022515 356389500 /nfs/dbraw/zinc/38/95/00/356389500.db2.gz RQRGCLKJECGQLH-UHFFFAOYSA-N 2 0 277.376 -0.062 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1nc(N)[nH+]c(N)n1 ZINC000624024287 356390251 /nfs/dbraw/zinc/39/02/51/356390251.db2.gz CENMGEMHCIFOAI-YUMQZZPRSA-N 2 0 251.338 -0.527 20 0 CBADRP C[C@H]1C[NH+](CCCCNc2nc(N)[nH+]c(N)n2)C[C@H](C)O1 ZINC000624027361 356390280 /nfs/dbraw/zinc/39/02/80/356390280.db2.gz QSVPDMSLKVJNQC-UWVGGRQHSA-N 2 0 295.391 -0.580 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000624032598 356390935 /nfs/dbraw/zinc/39/09/35/356390935.db2.gz RTAMIJAGJKMXOH-SECBINFHSA-N 2 0 265.365 -0.492 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2c2nc(N)[nH+]c(N)n2)C1 ZINC000624050128 356391923 /nfs/dbraw/zinc/39/19/23/356391923.db2.gz ZLKOPOHPACYNAT-BDAKNGLRSA-N 2 0 263.349 -0.383 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(c3nc(N)[nH+]c(N)n3)CC[C@H]21 ZINC000624041343 356392728 /nfs/dbraw/zinc/39/27/28/356392728.db2.gz QVLGEOHPLKISNG-RKDXNWHRSA-N 2 0 263.349 -0.383 20 0 CBADRP CC[N@@H+]1C[C@H](C)N(c2nc(N)[nH+]c(N)n2)C[C@H]1C ZINC000624075551 356394847 /nfs/dbraw/zinc/39/48/47/356394847.db2.gz KVBNESSGOJIEIC-SFYZADRCSA-N 2 0 251.338 -0.384 20 0 CBADRP CC[N@@H+]1C[C@H](C)N(c2nc(N)[nH+]c(N)n2)C[C@@H]1C ZINC000624075552 356395304 /nfs/dbraw/zinc/39/53/04/356395304.db2.gz KVBNESSGOJIEIC-YUMQZZPRSA-N 2 0 251.338 -0.384 20 0 CBADRP CC(C)(CNc1nc(N)[nH+]c(N)n1)C[NH+]1CCCC1 ZINC000624154999 356399484 /nfs/dbraw/zinc/39/94/84/356399484.db2.gz CFAWRTGIPAOXKE-UHFFFAOYSA-N 2 0 265.365 -0.347 20 0 CBADRP Cc1ncc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])n1C ZINC000624368844 356414357 /nfs/dbraw/zinc/41/43/57/356414357.db2.gz ZLLABYRAWBTFDA-UHFFFAOYSA-N 2 0 289.405 -0.583 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)Nc1nc(N)[nH+]c(N)n1 ZINC000624400390 356418193 /nfs/dbraw/zinc/41/81/93/356418193.db2.gz MQKKEMWTFDBMCQ-VIFPVBQESA-N 2 0 265.365 -0.349 20 0 CBADRP C[N@@H+]1CCCC[C@@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000624536774 356425484 /nfs/dbraw/zinc/42/54/84/356425484.db2.gz BWDUBWVZOHMNDB-QMMMGPOBSA-N 2 0 251.338 -0.738 20 0 CBADRP CCCC[N@H+](C)C[C@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624229711 356404799 /nfs/dbraw/zinc/40/47/99/356404799.db2.gz ASRLNXVIHQHCKF-QMMMGPOBSA-N 2 0 253.354 -0.349 20 0 CBADRP Nc1nc(NCCCCC[NH+]2CCCC2)nc(N)[nH+]1 ZINC000624246614 356406144 /nfs/dbraw/zinc/40/61/44/356406144.db2.gz VRBSDMYYZWKOGB-UHFFFAOYSA-N 2 0 265.365 -0.203 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000626978906 356562419 /nfs/dbraw/zinc/56/24/19/356562419.db2.gz MQDDCRMJXWEOOO-NSHDSACASA-N 2 0 270.377 -0.160 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NC1CC[NH+](C)CC1 ZINC000626922174 356556147 /nfs/dbraw/zinc/55/61/47/356556147.db2.gz VSXMUAWHMQRLJP-UHFFFAOYSA-N 2 0 258.366 -0.303 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626939027 356557704 /nfs/dbraw/zinc/55/77/04/356557704.db2.gz PKQCPKHYOYJBDI-GFCCVEGCSA-N 2 0 288.392 -0.758 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000626938004 356557984 /nfs/dbraw/zinc/55/79/84/356557984.db2.gz LROOCKNYRXVPRU-XQQFMLRXSA-N 2 0 282.388 -0.099 20 0 CBADRP CCN(CC[NH3+])C(=O)NCCC[N@H+](C)CCOC ZINC000626939206 356558120 /nfs/dbraw/zinc/55/81/20/356558120.db2.gz VUSCWIJKCSJVDL-UHFFFAOYSA-N 2 0 260.382 -0.055 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)N(C)CCOCC[NH3+] ZINC000626952440 356560122 /nfs/dbraw/zinc/56/01/22/356560122.db2.gz CFDQSTRZAOJBKL-NSHDSACASA-N 2 0 260.382 -0.057 20 0 CBADRP CC[N@H+](CCNC(=O)NC[C@@H]1COCC[NH2+]1)C1CC1 ZINC000626964951 356560911 /nfs/dbraw/zinc/56/09/11/356560911.db2.gz MRRNMJRVKLQEQU-LLVKDONJSA-N 2 0 270.377 -0.242 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)C[NH2+]1 ZINC000626974629 356561490 /nfs/dbraw/zinc/56/14/90/356561490.db2.gz JPGIGVNINXNPEN-JHJVBQTASA-N 2 0 283.420 -0.328 20 0 CBADRP CCN(CC[NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000626974540 356561758 /nfs/dbraw/zinc/56/17/58/356561758.db2.gz IRLPQWBNXXMQEA-NSHDSACASA-N 2 0 257.382 -0.778 20 0 CBADRP CCN(CC[NH3+])C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000627003101 356566151 /nfs/dbraw/zinc/56/61/51/356566151.db2.gz GYTKKJNDCSMIOP-MNOVXSKESA-N 2 0 258.366 -0.304 20 0 CBADRP C[C@@H](NC(=O)NCCOCCC[NH3+])[C@@H]1CN(C)CCO1 ZINC000627004081 356566204 /nfs/dbraw/zinc/56/62/04/356566204.db2.gz ZNUSOCFIZSVNNJ-NEPJUHHUSA-N 2 0 288.392 -0.630 20 0 CBADRP C[C@@H](NC(=O)N(C)CCOCC[NH3+])[C@H]1CN(C)CCO1 ZINC000627003939 356566243 /nfs/dbraw/zinc/56/62/43/356566243.db2.gz WZMDPLXFESSALI-VXGBXAGGSA-N 2 0 288.392 -0.678 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@H]1CC[NH2+]C1)C2 ZINC000627073412 356573357 /nfs/dbraw/zinc/57/33/57/356573357.db2.gz ANYDAPPAZNMEGQ-WCFLWFBJSA-N 2 0 252.362 -0.011 20 0 CBADRP C[N@@H+]1CCN(CCNC(=O)N[C@@H]2CC[NH2+]C2)CC1(C)C ZINC000627028375 356569178 /nfs/dbraw/zinc/56/91/78/356569178.db2.gz JJKQKYVGCSWLIG-GFCCVEGCSA-N 2 0 283.420 -0.327 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000627067296 356572534 /nfs/dbraw/zinc/57/25/34/356572534.db2.gz BXNKJTCIJCUIOO-UHFFFAOYSA-N 2 0 258.366 -0.397 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627070612 356573385 /nfs/dbraw/zinc/57/33/85/356573385.db2.gz CMMFEZZBHZKBBA-LLVKDONJSA-N 2 0 258.366 -0.338 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)NCCOCCC[NH3+])C1 ZINC000626982612 356563385 /nfs/dbraw/zinc/56/33/85/356563385.db2.gz NGCSDMCVRBJHNA-LBPRGKRZSA-N 2 0 288.392 -0.628 20 0 CBADRP C[C@@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)C[NH+]1CCN(C)CC1 ZINC000626987151 356563658 /nfs/dbraw/zinc/56/36/58/356563658.db2.gz YXGBUOBZBDQVJT-MELADBBJSA-N 2 0 297.447 -0.081 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627156677 356590237 /nfs/dbraw/zinc/59/02/37/356590237.db2.gz GILSVSRSRYEQGI-GARJFASQSA-N 2 0 256.350 -0.586 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000627158063 356591239 /nfs/dbraw/zinc/59/12/39/356591239.db2.gz HYXPTKRZEQXVRQ-GRYCIOLGSA-N 2 0 270.377 -0.114 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000627170994 356592499 /nfs/dbraw/zinc/59/24/99/356592499.db2.gz NLYMITMLLDLETL-GHMZBOCLSA-N 2 0 258.366 -0.399 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000627170521 356592577 /nfs/dbraw/zinc/59/25/77/356592577.db2.gz BUHAKYYENYTABR-NEPJUHHUSA-N 2 0 272.393 -0.151 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000627171929 356592857 /nfs/dbraw/zinc/59/28/57/356592857.db2.gz MOEMXOIPHBAJJF-QWRGUYRKSA-N 2 0 258.366 -0.399 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000627171554 356593201 /nfs/dbraw/zinc/59/32/01/356593201.db2.gz YQYDNEBSGVXYTM-NEPJUHHUSA-N 2 0 270.377 -0.384 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000627171212 356593356 /nfs/dbraw/zinc/59/33/56/356593356.db2.gz RLNSBQHZNOULAH-WDEREUQCSA-N 2 0 258.366 -0.386 20 0 CBADRP [NH3+]CC1(NC(=O)NC[C@H]2CCC[NH2+]2)CCOCC1 ZINC000627075164 356574629 /nfs/dbraw/zinc/57/46/29/356574629.db2.gz UHRAFBFAZRDHTN-SNVBAGLBSA-N 2 0 256.350 -0.455 20 0 CBADRP [NH3+]C[C@H](NC(=O)NCC1([NH3+])CCOCC1)C1CC1 ZINC000627077288 356575028 /nfs/dbraw/zinc/57/50/28/356575028.db2.gz ZYSHFZHAHDNHPV-JTQLQIEISA-N 2 0 256.350 -0.469 20 0 CBADRP [NH3+]CCCOCCNC(=O)NC1CCC([NH3+])CC1 ZINC000627076823 356575384 /nfs/dbraw/zinc/57/53/84/356575384.db2.gz JVVLMACFKKXRHC-UHFFFAOYSA-N 2 0 258.366 -0.079 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627079961 356576020 /nfs/dbraw/zinc/57/60/20/356576020.db2.gz MCMMKYPNJDCWFA-NWDGAFQWSA-N 2 0 272.393 -0.130 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627078883 356576068 /nfs/dbraw/zinc/57/60/68/356576068.db2.gz FHPHLVRIVNTQIL-GHMZBOCLSA-N 2 0 258.366 -0.209 20 0 CBADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627079898 356576135 /nfs/dbraw/zinc/57/61/35/356576135.db2.gz XXWMQRMDIMYZPC-AGIUHOORSA-N 2 0 284.404 -0.130 20 0 CBADRP CCC[NH2+]CCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627081974 356577268 /nfs/dbraw/zinc/57/72/68/356577268.db2.gz YJFJUTDITSRYNL-LLVKDONJSA-N 2 0 258.366 -0.648 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCOCCC[NH3+] ZINC000627085958 356578855 /nfs/dbraw/zinc/57/88/55/356578855.db2.gz ANEBIPPBTHKLBY-MNOVXSKESA-N 2 0 258.366 -0.351 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1CCC[NH2+]CC1 ZINC000627086067 356579132 /nfs/dbraw/zinc/57/91/32/356579132.db2.gz GCLREBZAAVZKCX-VXGBXAGGSA-N 2 0 270.377 -0.506 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000627087424 356579825 /nfs/dbraw/zinc/57/98/25/356579825.db2.gz JMKHLAFQSNDUKZ-WOPDTQHZSA-N 2 0 270.377 -0.378 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000627086777 356580049 /nfs/dbraw/zinc/58/00/49/356580049.db2.gz DCKNOJUKGBJAPM-VXGBXAGGSA-N 2 0 272.393 -0.138 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1([NH3+])CCOCC1 ZINC000627086869 356580128 /nfs/dbraw/zinc/58/01/28/356580128.db2.gz BWXPRKJUVVJCIA-MNOVXSKESA-N 2 0 270.377 -0.209 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)N(C)CCOCC[NH3+])CC[NH2+]1 ZINC000627089193 356580952 /nfs/dbraw/zinc/58/09/52/356580952.db2.gz KYRRDDNRMJGNDY-QWRGUYRKSA-N 2 0 258.366 -0.256 20 0 CBADRP C[C@H]1C[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC[NH2+]1 ZINC000627088485 356580962 /nfs/dbraw/zinc/58/09/62/356580962.db2.gz IONBDHMCXBJASR-QJPTWQEYSA-N 2 0 270.377 -0.507 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000627088580 356581082 /nfs/dbraw/zinc/58/10/82/356581082.db2.gz RGODVNOVFNQXSN-QWRGUYRKSA-N 2 0 258.366 -0.127 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627090727 356581530 /nfs/dbraw/zinc/58/15/30/356581530.db2.gz YNHGWCXNBGDKGN-GRYCIOLGSA-N 2 0 270.377 -0.650 20 0 CBADRP COC[C@]1(CNC(=O)NCCOCCC[NH3+])CCC[NH2+]1 ZINC000627092538 356581717 /nfs/dbraw/zinc/58/17/17/356581717.db2.gz UWMORDIYGBZRGG-CYBMUJFWSA-N 2 0 288.392 -0.580 20 0 CBADRP C[C@H](CCCC[NH3+])NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627093890 356582310 /nfs/dbraw/zinc/58/23/10/356582310.db2.gz VJRJIYCUROFCTR-NEPJUHHUSA-N 2 0 272.393 -0.130 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000627102804 356583313 /nfs/dbraw/zinc/58/33/13/356583313.db2.gz UMJHHHIGZMQZJW-GARJFASQSA-N 2 0 256.350 -0.586 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000627103801 356583360 /nfs/dbraw/zinc/58/33/60/356583360.db2.gz WEYRHVWQRNGORT-MNOVXSKESA-N 2 0 258.366 -0.270 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000627107351 356584249 /nfs/dbraw/zinc/58/42/49/356584249.db2.gz XRAAFQPRLAOADS-FQUUOJAGSA-N 2 0 296.415 -0.260 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000627108412 356584276 /nfs/dbraw/zinc/58/42/76/356584276.db2.gz UENCWWLVQMKKOU-MNOVXSKESA-N 2 0 260.382 -0.010 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000627107350 356584589 /nfs/dbraw/zinc/58/45/89/356584589.db2.gz XRAAFQPRLAOADS-DGAVXFQQSA-N 2 0 296.415 -0.260 20 0 CBADRP C[NH2+]CCOCCNC(=O)NCCC1(C[NH3+])CC1 ZINC000627109453 356584935 /nfs/dbraw/zinc/58/49/35/356584935.db2.gz IUXKMPRMSVHVCT-UHFFFAOYSA-N 2 0 258.366 -0.349 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NCC12CC(C1)C[NH2+]2 ZINC000627117180 356586455 /nfs/dbraw/zinc/58/64/55/356586455.db2.gz UEZAEIQZYYMUJM-QWKFWESOSA-N 2 0 268.361 -0.896 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[NH2+]1 ZINC000627118024 356587063 /nfs/dbraw/zinc/58/70/63/356587063.db2.gz NEOOQWTUMVURQR-IUCAKERBSA-N 2 0 294.359 -0.419 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000627127366 356587538 /nfs/dbraw/zinc/58/75/38/356587538.db2.gz YGJFNMCHCTUKOL-RYUDHWBXSA-N 2 0 282.388 -0.363 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000627219209 356608066 /nfs/dbraw/zinc/60/80/66/356608066.db2.gz SNULVQRVDGICIW-NWDGAFQWSA-N 2 0 270.377 -0.255 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000627218690 356608431 /nfs/dbraw/zinc/60/84/31/356608431.db2.gz CWINOCBZSGGNFA-CYBMUJFWSA-N 2 0 270.377 -0.253 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000627242467 356610668 /nfs/dbraw/zinc/61/06/68/356610668.db2.gz RINCEOCCKIXXEB-HOSYDEDBSA-N 2 0 256.350 -0.897 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627246038 356611219 /nfs/dbraw/zinc/61/12/19/356611219.db2.gz IAIPQKHWZZEURN-HBNTYKKESA-N 2 0 256.350 -0.897 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000627248753 356612024 /nfs/dbraw/zinc/61/20/24/356612024.db2.gz AFKWXKOQRQQQDY-GFCCVEGCSA-N 2 0 282.388 -0.146 20 0 CBADRP CCCN(C(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000627190296 356600871 /nfs/dbraw/zinc/60/08/71/356600871.db2.gz DZCDLTAYNYKNGR-NEPJUHHUSA-N 2 0 270.377 -0.242 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)C[NH2+]1 ZINC000627201099 356604038 /nfs/dbraw/zinc/60/40/38/356604038.db2.gz FEQUAOCILDTEEY-NQBHXWOUSA-N 2 0 272.393 -0.261 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)C[NH2+]1 ZINC000627205979 356605060 /nfs/dbraw/zinc/60/50/60/356605060.db2.gz FYZQWTWBLCYZIK-MXWKQRLJSA-N 2 0 256.350 -0.504 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[NH2+]1 ZINC000627210030 356605744 /nfs/dbraw/zinc/60/57/44/356605744.db2.gz KOTQEGKHFIHQBL-WYUUTHIRSA-N 2 0 252.362 -0.012 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)NC2(C[NH3+])CCOCC2)C[NH2+]1 ZINC000627208340 356605987 /nfs/dbraw/zinc/60/59/87/356605987.db2.gz IRNVXPVGEMPEQW-WDEREUQCSA-N 2 0 270.377 -0.066 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C[NH2+]1 ZINC000627211038 356606090 /nfs/dbraw/zinc/60/60/90/356606090.db2.gz ZWCPRFKYQCLAMJ-HZSPNIEDSA-N 2 0 295.431 -0.184 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627349359 356630496 /nfs/dbraw/zinc/63/04/96/356630496.db2.gz LPJBSSFDQMDHFD-DJIHRAIXSA-N 2 0 294.399 -0.548 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627349360 356630512 /nfs/dbraw/zinc/63/05/12/356630512.db2.gz LPJBSSFDQMDHFD-DNIRFERGSA-N 2 0 294.399 -0.548 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000627380276 356635847 /nfs/dbraw/zinc/63/58/47/356635847.db2.gz MKDGBNHDCLWVHQ-NEPJUHHUSA-N 2 0 280.372 -0.935 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)C1CC1 ZINC000627365405 356633478 /nfs/dbraw/zinc/63/34/78/356633478.db2.gz NWLPAHHAHBCSAB-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1)C1CC1 ZINC000627365406 356633504 /nfs/dbraw/zinc/63/35/04/356633504.db2.gz NWLPAHHAHBCSAB-RYUDHWBXSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000627378674 356634864 /nfs/dbraw/zinc/63/48/64/356634864.db2.gz QWMOLVANNMJNOU-QNWHQSFQSA-N 2 0 294.399 -0.404 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000627260509 356616729 /nfs/dbraw/zinc/61/67/29/356616729.db2.gz JSJDWLLVTVFQOS-JHJVBQTASA-N 2 0 269.389 -0.006 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000627372480 356635120 /nfs/dbraw/zinc/63/51/20/356635120.db2.gz NCQWWBQFKPFYLL-SNVBAGLBSA-N 2 0 270.377 -0.608 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627291070 356620900 /nfs/dbraw/zinc/62/09/00/356620900.db2.gz JMGUDLDLABAJHE-GFCCVEGCSA-N 2 0 294.399 -0.402 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627293194 356620915 /nfs/dbraw/zinc/62/09/15/356620915.db2.gz NJQZQEYVLGNVJD-DGCLKSJQSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000627304628 356622738 /nfs/dbraw/zinc/62/27/38/356622738.db2.gz AKEPSIGKPVDQJJ-ZDEQEGDKSA-N 2 0 296.415 -0.158 20 0 CBADRP C[N@H+](CCCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C1CC1 ZINC000627307245 356623424 /nfs/dbraw/zinc/62/34/24/356623424.db2.gz CSQDJQIZIFEXRO-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000627325319 356625690 /nfs/dbraw/zinc/62/56/90/356625690.db2.gz FQHYWTMFWCOKDX-JTQLQIEISA-N 2 0 258.366 -0.750 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000627325630 356626390 /nfs/dbraw/zinc/62/63/90/356626390.db2.gz PONAMHVWDRIESQ-SNVBAGLBSA-N 2 0 268.361 -0.854 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000627325601 356626683 /nfs/dbraw/zinc/62/66/83/356626683.db2.gz OQINUOZYFMMHMR-SDDRHHMPSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000627332176 356627261 /nfs/dbraw/zinc/62/72/61/356627261.db2.gz SDKOFVYBEAQKGL-WCQYABFASA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[NH2+]1 ZINC000627425039 356644942 /nfs/dbraw/zinc/64/49/42/356644942.db2.gz CGPOITXTEQMVLZ-WUHRBBMRSA-N 2 0 296.415 -0.301 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627442256 356647821 /nfs/dbraw/zinc/64/78/21/356647821.db2.gz FUPPGAWNLUTYCQ-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[N@H+](CC)CC1 ZINC000627460934 356649807 /nfs/dbraw/zinc/64/98/07/356649807.db2.gz ZKZFFQCBIVYOMD-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627389732 356637011 /nfs/dbraw/zinc/63/70/11/356637011.db2.gz NPUDSDQDEQBODO-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627389730 356637437 /nfs/dbraw/zinc/63/74/37/356637437.db2.gz NPUDSDQDEQBODO-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627395177 356638066 /nfs/dbraw/zinc/63/80/66/356638066.db2.gz CEEYXKALVJWALW-GRYCIOLGSA-N 2 0 284.404 -0.301 20 0 CBADRP CC1(C)CC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC(C)(C)[NH2+]1 ZINC000627390252 356638108 /nfs/dbraw/zinc/63/81/08/356638108.db2.gz HPYGNKKAWOEYPH-SNVBAGLBSA-N 2 0 296.415 -0.110 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000627506347 356660836 /nfs/dbraw/zinc/66/08/36/356660836.db2.gz LVAULISYTBEONA-CHWSQXEVSA-N 2 0 294.399 -0.449 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627506371 356661080 /nfs/dbraw/zinc/66/10/80/356661080.db2.gz MTKFULFAUVMJCB-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000627506828 356661634 /nfs/dbraw/zinc/66/16/34/356661634.db2.gz LFILEQYNFVCRDR-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)C[NH2+]1 ZINC000627476708 356653137 /nfs/dbraw/zinc/65/31/37/356653137.db2.gz JYVNWWKDGXMRCF-NEPJUHHUSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C[NH2+]1 ZINC000627477063 356653148 /nfs/dbraw/zinc/65/31/48/356653148.db2.gz QOBQURFBEUCBMM-AGIUHOORSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC000627476736 356653402 /nfs/dbraw/zinc/65/34/02/356653402.db2.gz KPEBBQITGFWGII-IJLUTSLNSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)C[NH2+]1 ZINC000627482087 356654677 /nfs/dbraw/zinc/65/46/77/356654677.db2.gz METZRZAINNTXBS-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)C[NH2+]1 ZINC000627482088 356654943 /nfs/dbraw/zinc/65/49/43/356654943.db2.gz METZRZAINNTXBS-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000627503438 356659540 /nfs/dbraw/zinc/65/95/40/356659540.db2.gz MHYXEKSJUWJMMP-HBNTYKKESA-N 2 0 268.361 -0.937 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000627503876 356659785 /nfs/dbraw/zinc/65/97/85/356659785.db2.gz HICQLBWHNLMLKO-CHWSQXEVSA-N 2 0 294.399 -0.449 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000627503462 356659799 /nfs/dbraw/zinc/65/97/99/356659799.db2.gz NPDIMFTUEFLBOR-SDDRHHMPSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)[C@H](C)[NH+](C)C)C1)[NH+](C)C ZINC000628215809 356691566 /nfs/dbraw/zinc/69/15/66/356691566.db2.gz UKDAVFICTNZNME-RWMBFGLXSA-N 2 0 298.431 -0.006 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000628584784 356714376 /nfs/dbraw/zinc/71/43/76/356714376.db2.gz YWNVSRLUKYJVDO-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP O=C1NCCC[C@@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629559163 356779641 /nfs/dbraw/zinc/77/96/41/356779641.db2.gz CWLXMWJKAKPSOB-NEPJUHHUSA-N 2 0 255.362 -0.441 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCC[NH+]2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000629170731 356751444 /nfs/dbraw/zinc/75/14/44/356751444.db2.gz XREKVKVJPLEDEE-RWMBFGLXSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+]1CCC(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000629172628 356752079 /nfs/dbraw/zinc/75/20/79/356752079.db2.gz FNTAZWAYVALWDQ-GFCCVEGCSA-N 2 0 255.362 -0.489 20 0 CBADRP CC(C)[C@H](C(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+](C)C ZINC000629173710 356753815 /nfs/dbraw/zinc/75/38/15/356753815.db2.gz PLNVMMMDVUDZLY-VXGBXAGGSA-N 2 0 257.378 -0.245 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000629567039 356780561 /nfs/dbraw/zinc/78/05/61/356780561.db2.gz MQDSHXPNZSFMPN-STQMWFEESA-N 2 0 287.404 -0.162 20 0 CBADRP CCn1nnc(C)c1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000629513119 356776158 /nfs/dbraw/zinc/77/61/58/356776158.db2.gz UCJJTBUOKUNRSR-LBPRGKRZSA-N 2 0 294.403 -0.107 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[NH+](C)C ZINC000629615190 356787933 /nfs/dbraw/zinc/78/79/33/356787933.db2.gz SGAFKGJNEJHBAV-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000629652674 356788951 /nfs/dbraw/zinc/78/89/51/356788951.db2.gz BXCPYLYIVDFOQQ-FRRDWIJNSA-N 3 0 268.405 -0.086 20 0 CBADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)CN1 ZINC000629660332 356789079 /nfs/dbraw/zinc/78/90/79/356789079.db2.gz RWEATNOJVIGUJN-AGIUHOORSA-N 2 0 268.405 -0.086 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000629797181 356794075 /nfs/dbraw/zinc/79/40/75/356794075.db2.gz WTEMRONVZVPIEY-LBPRGKRZSA-N 2 0 282.388 -0.511 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000629799489 356794974 /nfs/dbraw/zinc/79/49/74/356794974.db2.gz HNGBRIPIHSNFLM-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000629798821 356795320 /nfs/dbraw/zinc/79/53/20/356795320.db2.gz LGYYMTXABFQPRV-RYUDHWBXSA-N 2 0 284.404 -0.408 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000629812925 356798005 /nfs/dbraw/zinc/79/80/05/356798005.db2.gz XQBYNJDKUWPYME-CQSZACIVSA-N 2 0 282.388 -0.652 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000629812363 356798095 /nfs/dbraw/zinc/79/80/95/356798095.db2.gz OQGMJJLDUGDURS-GFCCVEGCSA-N 2 0 284.404 -0.537 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+](C)C ZINC000629913900 356805376 /nfs/dbraw/zinc/80/53/76/356805376.db2.gz PLNVMMMDVUDZLY-RYUDHWBXSA-N 2 0 257.378 -0.245 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@@H+]1C ZINC000629916843 356808014 /nfs/dbraw/zinc/80/80/14/356808014.db2.gz XREKVKVJPLEDEE-AVGNSLFASA-N 2 0 269.389 -0.101 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC000629960185 356812183 /nfs/dbraw/zinc/81/21/83/356812183.db2.gz YERMVERPGBJTPQ-CYBMUJFWSA-N 2 0 268.405 -0.167 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN(C)CCOCC[NH3+])CC1 ZINC000629577946 356782265 /nfs/dbraw/zinc/78/22/65/356782265.db2.gz LYTBPMKSDVIPIP-UHFFFAOYSA-N 2 0 286.420 -0.506 20 0 CBADRP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629582276 356782464 /nfs/dbraw/zinc/78/24/64/356782464.db2.gz QVUOQMIDNCDDGI-OUAUKWLOSA-N 2 0 253.346 -0.297 20 0 CBADRP C[N@H+](CCOCC[NH3+])CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000629580690 356782510 /nfs/dbraw/zinc/78/25/10/356782510.db2.gz DOZBWFVDTLKFKW-BETUJISGSA-N 2 0 257.378 -0.243 20 0 CBADRP NC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000629580157 356782857 /nfs/dbraw/zinc/78/28/57/356782857.db2.gz NQGRKQBZOSKMDB-WOPDTQHZSA-N 2 0 255.362 -0.313 20 0 CBADRP CC(C)CC[C@H](CO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000629591573 356783928 /nfs/dbraw/zinc/78/39/28/356783928.db2.gz JWPSVJHVMIKSNU-CABCVRRESA-N 2 0 287.448 -0.019 20 0 CBADRP OCC[N@@H+]1CCCC[C@@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000629585036 356784044 /nfs/dbraw/zinc/78/40/44/356784044.db2.gz YKCIRKOJKCHCDY-HUUCEWRRSA-N 2 0 285.432 -0.121 20 0 CBADRP O[C@H](C[NH2+]C[C@H](O)[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000629590338 356784087 /nfs/dbraw/zinc/78/40/87/356784087.db2.gz VGBLKUOCFVVYKC-AGIUHOORSA-N 2 0 258.362 -0.427 20 0 CBADRP OCC[C@]1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CCOC1 ZINC000629583743 356784246 /nfs/dbraw/zinc/78/42/46/356784246.db2.gz DNUHQFDLDMDPHQ-UONOGXRCSA-N 2 0 272.389 -0.178 20 0 CBADRP OC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCCOC1 ZINC000629598100 356785093 /nfs/dbraw/zinc/78/50/93/356785093.db2.gz WBMZACILBIDCTC-MCIONIFRSA-N 2 0 272.389 -0.180 20 0 CBADRP CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000629595368 356785187 /nfs/dbraw/zinc/78/51/87/356785187.db2.gz NMAYHKQFCKAGLH-NWDGAFQWSA-N 2 0 275.418 -0.143 20 0 CBADRP CO[C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)[C@](C)(C[NH3+])C1 ZINC000630365419 356838715 /nfs/dbraw/zinc/83/87/15/356838715.db2.gz HVRABPORTCOKDV-AGIUHOORSA-N 2 0 269.389 -0.055 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000631901365 356917772 /nfs/dbraw/zinc/91/77/72/356917772.db2.gz AFAZPFPCIRINOK-NSHDSACASA-N 2 0 263.407 -0.143 20 0 CBADRP [NH3+]C[C@@H]1CCCCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631901947 356917836 /nfs/dbraw/zinc/91/78/36/356917836.db2.gz CMRCLWIRPMXHFM-QWRGUYRKSA-N 2 0 277.390 -0.882 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631901124 356917947 /nfs/dbraw/zinc/91/79/47/356917947.db2.gz RPCCQVURBQDKAG-RYUDHWBXSA-N 2 0 291.417 -0.764 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631901123 356918156 /nfs/dbraw/zinc/91/81/56/356918156.db2.gz RPCCQVURBQDKAG-NWDGAFQWSA-N 2 0 291.417 -0.764 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000631902602 356918617 /nfs/dbraw/zinc/91/86/17/356918617.db2.gz MNRYIDDYTPQDGX-NSHDSACASA-N 2 0 263.407 0.000 20 0 CBADRP C[C@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)[C@H]1CCC[NH2+]C1 ZINC000631902655 356918810 /nfs/dbraw/zinc/91/88/10/356918810.db2.gz NQHBFULYXDXPOJ-SDDRHHMPSA-N 2 0 291.417 -0.718 20 0 CBADRP [NH3+][C@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000631903724 356919540 /nfs/dbraw/zinc/91/95/40/356919540.db2.gz SFZWDVQZZYTFBX-QWHCGFSZSA-N 2 0 299.396 -0.406 20 0 CBADRP CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631903800 356919615 /nfs/dbraw/zinc/91/96/15/356919615.db2.gz VBTOKKBKURNCQX-RYUDHWBXSA-N 2 0 291.417 -0.622 20 0 CBADRP C[C@H](C[NH3+])N(C)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631903989 356919998 /nfs/dbraw/zinc/91/99/98/356919998.db2.gz ALCBODNDRFCVIL-GFCCVEGCSA-N 2 0 292.449 -0.767 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)CCC[NH+](C)C)CC[C@H]1[NH3+] ZINC000631905534 356920452 /nfs/dbraw/zinc/92/04/52/356920452.db2.gz PGZCDGZQTMWFAG-GHMZBOCLSA-N 2 0 263.407 -0.063 20 0 CBADRP CCCC[C@H](C[NH3+])NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631907143 356921157 /nfs/dbraw/zinc/92/11/57/356921157.db2.gz DVKVNUCTIJKLJJ-MNOVXSKESA-N 2 0 279.406 -0.588 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000631930553 356924749 /nfs/dbraw/zinc/92/47/49/356924749.db2.gz OUILXYAGQKIBFS-MNOVXSKESA-N 2 0 290.433 -0.226 20 0 CBADRP [NH3+][C@H]1C[C@H](NS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000631931544 356924921 /nfs/dbraw/zinc/92/49/21/356924921.db2.gz KYKFKSPIIUWQCF-XYPYZODXSA-N 2 0 261.391 -0.119 20 0 CBADRP C[C@@H](CC[NH3+])NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631931599 356925091 /nfs/dbraw/zinc/92/50/91/356925091.db2.gz LQWJACXRBKEFEB-LBPRGKRZSA-N 2 0 292.449 -0.719 20 0 CBADRP C[C@@H](C[NH3+])CNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631931979 356925143 /nfs/dbraw/zinc/92/51/43/356925143.db2.gz PFWNAWGCGXXUQL-NSHDSACASA-N 2 0 263.407 -0.014 20 0 CBADRP C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)CCC[NH+](C)C ZINC000631931581 356925515 /nfs/dbraw/zinc/92/55/15/356925515.db2.gz LIEUWGRRJNESPZ-MNOVXSKESA-N 2 0 263.407 -0.063 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)CCC[NH+](C)C ZINC000631935091 356927198 /nfs/dbraw/zinc/92/71/98/356927198.db2.gz PNSFWGSUDNQXCW-QWRGUYRKSA-N 2 0 263.407 -0.145 20 0 CBADRP C[C@@H](CCCC[NH3+])NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631939249 356928914 /nfs/dbraw/zinc/92/89/14/356928914.db2.gz WCOWZXNAPNCBKY-QWRGUYRKSA-N 2 0 279.406 -0.588 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631942108 356929497 /nfs/dbraw/zinc/92/94/97/356929497.db2.gz PNOOUZHAXNLLSY-MXWKQRLJSA-N 2 0 277.390 -0.978 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000631941769 356929714 /nfs/dbraw/zinc/92/97/14/356929714.db2.gz GSPHMPCPDVHVIJ-LLVKDONJSA-N 2 0 290.433 -0.353 20 0 CBADRP CC[C@@H]([NH3+])CNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631940487 356929731 /nfs/dbraw/zinc/92/97/31/356929731.db2.gz YKHUYLYVTAEEBE-GFCCVEGCSA-N 2 0 292.449 -0.719 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCCC[NH2+]C1CC1 ZINC000631942196 356930860 /nfs/dbraw/zinc/93/08/60/356930860.db2.gz RKFXOEQIRDNRPW-UHFFFAOYSA-N 2 0 290.433 -0.353 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N[C@@H](CC[NH3+])C(F)F ZINC000631942976 356930912 /nfs/dbraw/zinc/93/09/12/356930912.db2.gz KCXAGAOBKDYUOM-QMMMGPOBSA-N 2 0 273.349 -0.160 20 0 CBADRP CCN(CC[NH3+])S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631954140 356933603 /nfs/dbraw/zinc/93/36/03/356933603.db2.gz CLDAGUJZNWCUKS-UHFFFAOYSA-N 2 0 292.449 -0.766 20 0 CBADRP C[C@@H]1CC[C@@H](NS(=O)(=O)CCC[NH+](C)C)C[NH2+]1 ZINC000631955241 356934752 /nfs/dbraw/zinc/93/47/52/356934752.db2.gz GYPMEDPZUPGPDH-GHMZBOCLSA-N 2 0 263.407 -0.002 20 0 CBADRP C[C@@H]1CC[C@H](NS(=O)(=O)CCC[NH+](C)C)C[NH2+]1 ZINC000631955242 356934992 /nfs/dbraw/zinc/93/49/92/356934992.db2.gz GYPMEDPZUPGPDH-MNOVXSKESA-N 2 0 263.407 -0.002 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631976234 356938157 /nfs/dbraw/zinc/93/81/57/356938157.db2.gz WRWREZLLNGENJR-SRVKXCTJSA-N 2 0 291.417 -0.588 20 0 CBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631981354 356939222 /nfs/dbraw/zinc/93/92/22/356939222.db2.gz QXESTTACNMFORR-UTUOFQBUSA-N 2 0 289.401 -0.964 20 0 CBADRP CC[NH+]1CCC([NH2+]CCCS(=O)(=O)NC)CC1 ZINC000631708775 356902324 /nfs/dbraw/zinc/90/23/24/356902324.db2.gz GWPQYRFMVYCHKQ-UHFFFAOYSA-N 2 0 263.407 0.000 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N[C@H](CO)C[NH+](C)C)cn1 ZINC000633072139 357039600 /nfs/dbraw/zinc/03/96/00/357039600.db2.gz MJDXHAOBIDLTAK-LBPRGKRZSA-N 2 0 283.376 -0.903 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633077744 357040042 /nfs/dbraw/zinc/04/00/42/357040042.db2.gz COOSHQNXBHJLGK-RYUDHWBXSA-N 2 0 280.372 -0.887 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000633087427 357042509 /nfs/dbraw/zinc/04/25/09/357042509.db2.gz KAKYKHNSLFRJIJ-FRRDWIJNSA-N 2 0 294.399 -0.498 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)C1 ZINC000633116099 357049774 /nfs/dbraw/zinc/04/97/74/357049774.db2.gz OXVLGYGTFGCTHO-YNEHKIRRSA-N 2 0 296.415 -0.123 20 0 CBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000633117002 357050099 /nfs/dbraw/zinc/05/00/99/357050099.db2.gz DTJOOQMTGKGWBT-GFCCVEGCSA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000633117995 357050105 /nfs/dbraw/zinc/05/01/05/357050105.db2.gz HEBFYGFMVRZXEQ-FIQHERPVSA-N 2 0 280.372 -0.903 20 0 CBADRP CN1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000634272319 357113646 /nfs/dbraw/zinc/11/36/46/357113646.db2.gz ZWBFMWPLPQGJHQ-NWDGAFQWSA-N 2 0 269.393 -0.587 20 0 CBADRP COCC[NH2+]CCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634270600 357113829 /nfs/dbraw/zinc/11/38/29/357113829.db2.gz OPXYXJGLQHGMCI-NSHDSACASA-N 2 0 258.366 -0.336 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768727 357134218 /nfs/dbraw/zinc/13/42/18/357134218.db2.gz WJJQGSTWNPSEMX-MDZLAQPJSA-N 2 0 253.346 -0.377 20 0 CBADRP CNS(=O)(=O)CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000635005156 357142077 /nfs/dbraw/zinc/14/20/77/357142077.db2.gz HDLIBCUWOZJRPO-IJLUTSLNSA-N 2 0 275.418 -0.097 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCN1CCCS1(=O)=O ZINC000635005213 357142527 /nfs/dbraw/zinc/14/25/27/357142527.db2.gz SNAMRVGHYBOOLI-GHMZBOCLSA-N 2 0 261.391 -0.119 20 0 CBADRP C[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+](C)C ZINC000635472647 357167502 /nfs/dbraw/zinc/16/75/02/357167502.db2.gz GJTNZOIVKWWAOR-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[NH+](C)C ZINC000635543822 357174587 /nfs/dbraw/zinc/17/45/87/357174587.db2.gz XHIXZXLVDCWPLO-GFCCVEGCSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635728444 357197358 /nfs/dbraw/zinc/19/73/58/357197358.db2.gz XRZFJLLYUSLBAP-WCQYABFASA-N 2 0 257.378 -0.243 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635728414 357197477 /nfs/dbraw/zinc/19/74/77/357197477.db2.gz XDZUPBDWPXIQNC-AAEUAGOBSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H](C(=O)NC1(CCO)CC[NH+](C)CC1)[NH+](C)C ZINC000635775142 357204953 /nfs/dbraw/zinc/20/49/53/357204953.db2.gz SSPQHNVDTOUAJS-LLVKDONJSA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635802304 357209575 /nfs/dbraw/zinc/20/95/75/357209575.db2.gz SHNKMBYMTQKSRQ-HNNXBMFYSA-N 2 0 299.415 -0.472 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000635801657 357210097 /nfs/dbraw/zinc/21/00/97/357210097.db2.gz LSLILCLCGWFOOF-AAEUAGOBSA-N 2 0 255.362 -0.347 20 0 CBADRP CCN(C(=O)[C@@H](C)[NH+](C)C)C1CN(C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000635878225 357223773 /nfs/dbraw/zinc/22/37/73/357223773.db2.gz RXSYIVPFRLBDHD-VXGBXAGGSA-N 2 0 298.431 -0.054 20 0 CBADRP C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCCO)[NH+](C)C ZINC000635975275 357241530 /nfs/dbraw/zinc/24/15/30/357241530.db2.gz OHPHGMHOPQGZSE-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000635900164 357226938 /nfs/dbraw/zinc/22/69/38/357226938.db2.gz BCHCVALASHZJPQ-ZDUSSCGKSA-N 2 0 280.416 -0.166 20 0 CBADRP C[C@H](C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)[NH+](C)C ZINC000635900885 357228127 /nfs/dbraw/zinc/22/81/27/357228127.db2.gz YREUBKXSTHASOX-NEPJUHHUSA-N 2 0 254.378 -0.557 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000635900879 357228507 /nfs/dbraw/zinc/22/85/07/357228507.db2.gz YOLDYDSPPXVUOH-UONOGXRCSA-N 2 0 280.416 -0.166 20 0 CBADRP C[C@H](CNC(=O)[C@@H](C)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000635558747 357176798 /nfs/dbraw/zinc/17/67/98/357176798.db2.gz NEFCNNSIAKCDQL-VXGBXAGGSA-N 2 0 256.394 -0.311 20 0 CBADRP CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000636476285 357286909 /nfs/dbraw/zinc/28/69/09/357286909.db2.gz PMIABLJDKCGKIY-CYBMUJFWSA-N 2 0 284.404 -0.164 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000636624530 357294302 /nfs/dbraw/zinc/29/43/02/357294302.db2.gz VWGRJRAUZTUXGJ-RYUDHWBXSA-N 2 0 270.377 -0.554 20 0 CBADRP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)[NH+](C)C ZINC000635977256 357242888 /nfs/dbraw/zinc/24/28/88/357242888.db2.gz YVQGSYVWXQBDEV-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636075763 357260889 /nfs/dbraw/zinc/26/08/89/357260889.db2.gz DCXWOSQRRGKITE-QWHCGFSZSA-N 2 0 296.415 -0.093 20 0 CBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636075762 357261282 /nfs/dbraw/zinc/26/12/82/357261282.db2.gz DCXWOSQRRGKITE-OLZOCXBDSA-N 2 0 296.415 -0.093 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636181466 357269619 /nfs/dbraw/zinc/26/96/19/357269619.db2.gz DEJBLLZDTOWSEH-ZDUSSCGKSA-N 2 0 298.431 -0.193 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000637813903 357369615 /nfs/dbraw/zinc/36/96/15/357369615.db2.gz TWFLEAAWTYHLLR-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000637813907 357369819 /nfs/dbraw/zinc/36/98/19/357369819.db2.gz TWFLEAAWTYHLLR-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N1CC[NH2+]C[C@@H]1C ZINC000637816822 357370524 /nfs/dbraw/zinc/37/05/24/357370524.db2.gz LIDWEAPCHVRQRM-ZDUSSCGKSA-N 2 0 287.404 -0.208 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000637818108 357370958 /nfs/dbraw/zinc/37/09/58/357370958.db2.gz AJXYJGAHCBOSNJ-GHMZBOCLSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H](NC(=O)[C@]1(C)C[NH2+]CCO1)[C@H]1CCC[NH2+]C1 ZINC000637822277 357371297 /nfs/dbraw/zinc/37/12/97/357371297.db2.gz YUFQCIYOFLYSCC-GVXVVHGQSA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH2+]CCNC(=O)[C@H]([NH3+])Cc1cccc(OC)c1 ZINC000637823458 357371306 /nfs/dbraw/zinc/37/13/06/357371306.db2.gz FSYLXEKKPMRJPF-GFCCVEGCSA-N 2 0 251.330 -0.099 20 0 CBADRP C[NH2+]CCNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637825095 357371613 /nfs/dbraw/zinc/37/16/13/357371613.db2.gz VIZXIRPANJMDPD-CYBMUJFWSA-N 2 0 264.373 -0.219 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000637825628 357371644 /nfs/dbraw/zinc/37/16/44/357371644.db2.gz WVQBMTNNMPAXQM-WCQYABFASA-N 2 0 255.362 -0.048 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000637832003 357372433 /nfs/dbraw/zinc/37/24/33/357372433.db2.gz DRRZDWQQUJRTPE-GVXVVHGQSA-N 2 0 255.362 -0.131 20 0 CBADRP CN(C(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1CC[NH2+]C1 ZINC000637837327 357373748 /nfs/dbraw/zinc/37/37/48/357373748.db2.gz DIBHPZLUNYKSQP-UTUOFQBUSA-N 2 0 253.346 -0.330 20 0 CBADRP [NH3+][C@@H](CNC(=O)CN1CC[NH2+]CC1)c1ccccc1 ZINC000637833616 357374221 /nfs/dbraw/zinc/37/42/21/357374221.db2.gz UVTLZPMAGOOLJQ-ZDUSSCGKSA-N 2 0 262.357 -0.292 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000636923888 357312453 /nfs/dbraw/zinc/31/24/53/357312453.db2.gz ZUEWBNAACWXYMG-UBHSHLNASA-N 2 0 296.415 -0.165 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637001078 357316399 /nfs/dbraw/zinc/31/63/99/357316399.db2.gz GLXAKNRFNGPIKP-WCQYABFASA-N 2 0 272.393 -0.260 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N1CC[NH2+][C@H](C)C1 ZINC000637842663 357375019 /nfs/dbraw/zinc/37/50/19/357375019.db2.gz VSAPCBDOLWBIJT-CYBMUJFWSA-N 2 0 287.404 -0.208 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000637840333 357375050 /nfs/dbraw/zinc/37/50/50/357375050.db2.gz FTNKCTYFIMFPJM-JTQLQIEISA-N 2 0 253.350 -0.136 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC000637840979 357375108 /nfs/dbraw/zinc/37/51/08/357375108.db2.gz QMXSDGPECLPJNH-SRRSOLGSSA-N 2 0 255.362 -0.038 20 0 CBADRP C[C@@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+](C)C ZINC000637195852 357329932 /nfs/dbraw/zinc/32/99/32/357329932.db2.gz HQQLDYVHFUUKOD-WDEREUQCSA-N 2 0 258.366 -0.698 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000637283638 357337450 /nfs/dbraw/zinc/33/74/50/357337450.db2.gz WILINDZGILNGJZ-STQMWFEESA-N 2 0 284.404 -0.164 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)C1 ZINC000637844128 357376054 /nfs/dbraw/zinc/37/60/54/357376054.db2.gz DUABEYCDGSLDSB-BLFANLJRSA-N 2 0 255.362 -0.051 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NCC[NH2+]C1CC1 ZINC000637306702 357339265 /nfs/dbraw/zinc/33/92/65/357339265.db2.gz JZWCASMZNVXUNY-UHFFFAOYSA-N 2 0 258.366 -0.648 20 0 CBADRP O=C(NCC[NH2+]C1CC1)NC[C@H]1CCC[N@H+]1CCCO ZINC000637347600 357339309 /nfs/dbraw/zinc/33/93/09/357339309.db2.gz IAYYQVPSHKIQNJ-CYBMUJFWSA-N 2 0 284.404 -0.116 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000637316937 357339415 /nfs/dbraw/zinc/33/94/15/357339415.db2.gz JGCLFKQWLHEUPB-NWDGAFQWSA-N 2 0 284.404 -0.165 20 0 CBADRP CN(CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637376433 357340640 /nfs/dbraw/zinc/34/06/40/357340640.db2.gz HCKOTTZKMISOHE-LBPRGKRZSA-N 2 0 299.419 -0.471 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000637846789 357376324 /nfs/dbraw/zinc/37/63/24/357376324.db2.gz DIROOWIAXGQERA-GVXVVHGQSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[NH2+]CCNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000637602730 357358955 /nfs/dbraw/zinc/35/89/55/357358955.db2.gz FTZSEYVGLCERDA-UHFFFAOYSA-N 2 0 272.393 -0.306 20 0 CBADRP COC[C@]1(C(=O)NCCCN2CC[NH2+]CC2)CCCC[NH2+]1 ZINC000637799001 357365397 /nfs/dbraw/zinc/36/53/97/357365397.db2.gz SKWVVHHEUPYBGC-HNNXBMFYSA-N 2 0 298.431 -0.443 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCOCCOC)C1 ZINC000637801428 357366886 /nfs/dbraw/zinc/36/68/86/357366886.db2.gz KBIKHXCRKZLZCO-ZDUSSCGKSA-N 2 0 287.404 -0.208 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000637801741 357367074 /nfs/dbraw/zinc/36/70/74/357367074.db2.gz MVTINMFEOSDVLO-GFCCVEGCSA-N 2 0 265.361 -0.121 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC2CC[NH2+]CC2)C1 ZINC000637805348 357367443 /nfs/dbraw/zinc/36/74/43/357367443.db2.gz LBDTYUGAHWOTLF-YPMHNXCESA-N 2 0 255.362 -0.131 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000637805690 357367506 /nfs/dbraw/zinc/36/75/06/357367506.db2.gz COFHQMBGMKMQOW-OLZOCXBDSA-N 2 0 278.356 -0.206 20 0 CBADRP [NH3+][C@@H]1CC=C(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000638236471 357441614 /nfs/dbraw/zinc/44/16/14/357441614.db2.gz CSKGCCAYAWFFJD-OLZOCXBDSA-N 2 0 264.373 -0.460 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638047603 357405114 /nfs/dbraw/zinc/40/51/14/357405114.db2.gz IHBFNHXBISWPLR-YPMHNXCESA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@]1(C(=O)NCCC[NH+]2CCCC2)C[NH2+]CCO1 ZINC000638054367 357405899 /nfs/dbraw/zinc/40/58/99/357405899.db2.gz PHEYWQGFBNOYBI-ZDUSSCGKSA-N 2 0 255.362 -0.033 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NC2CC[NH+](C)CC2)C1 ZINC000638049885 357405913 /nfs/dbraw/zinc/40/59/13/357405913.db2.gz HVMGNTDPXYCLCL-YPMHNXCESA-N 2 0 255.362 -0.036 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)[C@]2(C)C[NH2+]CCO2)CCSC1 ZINC000638068685 357408983 /nfs/dbraw/zinc/40/89/83/357408983.db2.gz KMJIBTOAQJMOGI-STQMWFEESA-N 2 0 287.429 -0.082 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000638070642 357409400 /nfs/dbraw/zinc/40/94/00/357409400.db2.gz TUEZJVVSYZFACH-NSHDSACASA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)CN1CC[NH2+]CC1 ZINC000638071036 357409984 /nfs/dbraw/zinc/40/99/84/357409984.db2.gz ZAKDKZJTSPCLJG-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638071665 357410825 /nfs/dbraw/zinc/41/08/25/357410825.db2.gz HDVNZHPQXFVIQC-DGCLKSJQSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000638239870 357442273 /nfs/dbraw/zinc/44/22/73/357442273.db2.gz FCWNTWBSCKTHGG-CYBMUJFWSA-N 2 0 280.416 -0.166 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638073235 357411041 /nfs/dbraw/zinc/41/10/41/357411041.db2.gz SSKWQCVELFHIFB-DGCLKSJQSA-N 2 0 255.362 -0.190 20 0 CBADRP C[C@]1(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000638071623 357411095 /nfs/dbraw/zinc/41/10/95/357411095.db2.gz GEDPIDBLKHREGM-SMDDNHRTSA-N 2 0 267.373 -0.035 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000638077363 357412195 /nfs/dbraw/zinc/41/21/95/357412195.db2.gz RRFNEXPLKSGVJO-GMXVVIOVSA-N 2 0 255.362 -0.036 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638078717 357412275 /nfs/dbraw/zinc/41/22/75/357412275.db2.gz MTNVFVVVZHPYNJ-DGCLKSJQSA-N 2 0 255.362 -0.048 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638078935 357412676 /nfs/dbraw/zinc/41/26/76/357412676.db2.gz OMYCIEXETRJAKB-SDDRHHMPSA-N 2 0 255.362 -0.051 20 0 CBADRP C[N@H+](CCNC(=O)[C@@]1(C[NH3+])CCCOC1)C1CC1 ZINC000638085319 357412931 /nfs/dbraw/zinc/41/29/31/357412931.db2.gz XSYWGSIYWMOTQS-CYBMUJFWSA-N 2 0 255.362 -0.048 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638084911 357413317 /nfs/dbraw/zinc/41/33/17/357413317.db2.gz HKDZJTZSTALFTE-YPMHNXCESA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000638083510 357413462 /nfs/dbraw/zinc/41/34/62/357413462.db2.gz FWNHIVBYFJMFPO-ZWNOBZJWSA-N 2 0 253.346 -0.282 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)CN2CC[NH2+]CC2)cn1 ZINC000638089463 357413578 /nfs/dbraw/zinc/41/35/78/357413578.db2.gz AGVJPWRMUZQBRT-UHFFFAOYSA-N 2 0 280.376 -0.712 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000638094545 357416173 /nfs/dbraw/zinc/41/61/73/357416173.db2.gz JIKSSMMIIINBAK-TUAOUCFPSA-N 2 0 253.346 -0.201 20 0 CBADRP CN(C(=O)CN1CC[NH2+]CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000638099639 357417262 /nfs/dbraw/zinc/41/72/62/357417262.db2.gz IGWJDRCEIPWORH-CYBMUJFWSA-N 2 0 266.389 -0.413 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[NH2+]CCO1 ZINC000638102662 357417995 /nfs/dbraw/zinc/41/79/95/357417995.db2.gz WHPNIRNFIJBBIY-TZMCWYRMSA-N 2 0 267.373 -0.035 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC000638112854 357420512 /nfs/dbraw/zinc/42/05/12/357420512.db2.gz VWBWPHWSOAVWTQ-CQSZACIVSA-N 2 0 282.432 -0.014 20 0 CBADRP C[C@H]1C[C@@H](N(C)C(=O)CN2CC[NH2+]CC2)CC[N@@H+]1C ZINC000638124315 357421479 /nfs/dbraw/zinc/42/14/79/357421479.db2.gz SKXFZUJCGTWOOW-STQMWFEESA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@@]1(C(=O)N2CC[NH+](C3CCOCC3)CC2)C[NH2+]CCO1 ZINC000638122296 357421741 /nfs/dbraw/zinc/42/17/41/357421741.db2.gz OTCWBIUTWMHNJI-HNNXBMFYSA-N 2 0 297.399 -0.312 20 0 CBADRP C[C@@H](NC(=O)CN1CC[NH2+]CC1)C(C)(C)C[NH+](C)C ZINC000638126422 357423427 /nfs/dbraw/zinc/42/34/27/357423427.db2.gz MSTZCUJRVZKODC-GFCCVEGCSA-N 2 0 270.421 -0.016 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638137044 357424239 /nfs/dbraw/zinc/42/42/39/357424239.db2.gz FCUIHHVHAQSNEP-FRRDWIJNSA-N 2 0 284.404 -0.755 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638137000 357424514 /nfs/dbraw/zinc/42/45/14/357424514.db2.gz QFLURVNIHLRYCK-HIFRSBDPSA-N 2 0 298.431 -0.493 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000638141095 357424741 /nfs/dbraw/zinc/42/47/41/357424741.db2.gz GRJHWFYIVIPLCM-LBPRGKRZSA-N 2 0 252.362 -0.756 20 0 CBADRP C[NH+](C)C1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638141097 357425145 /nfs/dbraw/zinc/42/51/45/357425145.db2.gz GRQSQEVPAVSWTQ-ZDUSSCGKSA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@@H](CNC(=O)[C@]1(C[NH3+])CCCOC1)N1CC[NH+](C)CC1 ZINC000638139056 357425389 /nfs/dbraw/zinc/42/53/89/357425389.db2.gz BPIJKTRHSQQIAW-ZFWWWQNUSA-N 2 0 298.431 -0.506 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638138431 357425515 /nfs/dbraw/zinc/42/55/15/357425515.db2.gz AVAWFQWLAIZEMY-OCCSQVGLSA-N 2 0 284.404 -0.896 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638142122 357426179 /nfs/dbraw/zinc/42/61/79/357426179.db2.gz YKDWYHHARLJNRR-UKRRQHHQSA-N 2 0 298.431 -0.506 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000638151879 357426373 /nfs/dbraw/zinc/42/63/73/357426373.db2.gz GGIUTEXRVSTDFA-NWDGAFQWSA-N 2 0 271.361 -0.798 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000638152720 357427145 /nfs/dbraw/zinc/42/71/45/357427145.db2.gz BKYRXACWJGQELY-JTQLQIEISA-N 2 0 253.350 -0.088 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H]([NH3+])C2CC2)cn1 ZINC000638153382 357427193 /nfs/dbraw/zinc/42/71/93/357427193.db2.gz IODGSAUUYFFSQO-GFCCVEGCSA-N 2 0 265.361 -0.088 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@]1(COC)CCCC[NH2+]1 ZINC000638153003 357427575 /nfs/dbraw/zinc/42/75/75/357427575.db2.gz MYYSBEVZXOSCGT-ZDUSSCGKSA-N 2 0 273.377 -0.503 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000638153130 357427606 /nfs/dbraw/zinc/42/76/06/357427606.db2.gz CIMCEBUBHGHUGA-BLFANLJRSA-N 2 0 255.362 -0.051 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC1C[NH2+]C1 ZINC000638153332 357427666 /nfs/dbraw/zinc/42/76/66/357427666.db2.gz NWDPFHWNKJFFNR-UHFFFAOYSA-N 2 0 255.362 -0.320 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H]2CC[NH2+]C2)CCCC[NH2+]1 ZINC000638164023 357428893 /nfs/dbraw/zinc/42/88/93/357428893.db2.gz FYHKUOBALNBVQO-DGCLKSJQSA-N 2 0 255.362 -0.129 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCC[NH2+]1 ZINC000638244683 357443309 /nfs/dbraw/zinc/44/33/09/357443309.db2.gz KFJDHBWVEUMCBP-MPPDQPJWSA-N 2 0 253.346 -0.521 20 0 CBADRP COC[C@]1(C(=O)N2CCO[C@@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000638173119 357431297 /nfs/dbraw/zinc/43/12/97/357431297.db2.gz SYIHSGCIYQZEPL-AAEUAGOBSA-N 2 0 271.361 -0.669 20 0 CBADRP COc1cccc([C@H]([NH3+])C(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000638173298 357431625 /nfs/dbraw/zinc/43/16/25/357431625.db2.gz VNOXVGCQZKLZOB-STQMWFEESA-N 2 0 279.340 -0.119 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000638176316 357432575 /nfs/dbraw/zinc/43/25/75/357432575.db2.gz VILCYRHYCQSYDR-YPMHNXCESA-N 2 0 253.346 -0.211 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000638197834 357432972 /nfs/dbraw/zinc/43/29/72/357432972.db2.gz DNNINAOGZOKZIM-FMSGJZPZSA-N 2 0 267.373 -0.036 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638182740 357433060 /nfs/dbraw/zinc/43/30/60/357433060.db2.gz XUOCOPNKJFPATA-NTZNESFSSA-N 2 0 255.362 -0.144 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638182743 357433454 /nfs/dbraw/zinc/43/34/54/357433454.db2.gz XUOCOPNKJFPATA-WZRBSPASSA-N 2 0 255.362 -0.144 20 0 CBADRP C[C@]1(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C[NH2+]CCO1 ZINC000638199307 357434255 /nfs/dbraw/zinc/43/42/55/357434255.db2.gz COXADPOGIZKQGV-NTZNESFSSA-N 2 0 253.346 -0.425 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000638213937 357435069 /nfs/dbraw/zinc/43/50/69/357435069.db2.gz SHEUDVLVNHETTK-XZUYRWCXSA-N 2 0 253.346 -0.569 20 0 CBADRP C[C@H](C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[NH+](C)C ZINC000638210057 357435326 /nfs/dbraw/zinc/43/53/26/357435326.db2.gz MFLVAYNGTKHNNY-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP COC[C@@]1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCCC[NH2+]1 ZINC000638213380 357435456 /nfs/dbraw/zinc/43/54/56/357435456.db2.gz IXCOXRGINKWTOS-MBNYWOFBSA-N 2 0 267.373 -0.177 20 0 CBADRP COCC1(CNC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC[NH2+]CC1 ZINC000638224011 357436328 /nfs/dbraw/zinc/43/63/28/357436328.db2.gz CLXLWYDXJYKCAS-TZMCWYRMSA-N 2 0 299.415 -0.114 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)CCCC[NH2+]1 ZINC000638226637 357436805 /nfs/dbraw/zinc/43/68/05/357436805.db2.gz KCEYXFZUXOYZSS-NFAWXSAZSA-N 2 0 297.399 -0.266 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000638226722 357437258 /nfs/dbraw/zinc/43/72/58/357437258.db2.gz IOHZXJVFOIEZOL-KGLIPLIRSA-N 2 0 280.416 -0.166 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)CCCC[NH2+]1 ZINC000638226632 357437295 /nfs/dbraw/zinc/43/72/95/357437295.db2.gz KCEYXFZUXOYZSS-GUTXKFCHSA-N 2 0 297.399 -0.266 20 0 CBADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000637864157 357378621 /nfs/dbraw/zinc/37/86/21/357378621.db2.gz NTQKNYHRHXMLBR-NWDGAFQWSA-N 2 0 256.394 -0.149 20 0 CBADRP CN1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C[NH3+])C1 ZINC000637866331 357379454 /nfs/dbraw/zinc/37/94/54/357379454.db2.gz KNWOFEVTEJIVKD-LLVKDONJSA-N 2 0 254.378 -0.571 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CCO1 ZINC000637865462 357379457 /nfs/dbraw/zinc/37/94/57/357379457.db2.gz FNTXYYGJOBIDRO-WCQYABFASA-N 2 0 295.387 -0.367 20 0 CBADRP CN1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C[NH3+])C1 ZINC000637864163 357379508 /nfs/dbraw/zinc/37/95/08/357379508.db2.gz NXRWKANHCTUFFC-ZDUSSCGKSA-N 2 0 294.403 -0.840 20 0 CBADRP CN1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H](C[NH3+])C1 ZINC000637866332 357379532 /nfs/dbraw/zinc/37/95/32/357379532.db2.gz KNWOFEVTEJIVKD-NSHDSACASA-N 2 0 254.378 -0.571 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000638579859 357497765 /nfs/dbraw/zinc/49/77/65/357497765.db2.gz XOJFSDUVQNYFBM-LLVKDONJSA-N 2 0 255.362 -0.272 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000638579349 357497865 /nfs/dbraw/zinc/49/78/65/357497865.db2.gz OZGMYTKCZWELGJ-LALPHHSUSA-N 2 0 299.415 -0.129 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)C1(COC)CC[NH2+]CC1 ZINC000638591256 357499445 /nfs/dbraw/zinc/49/94/45/357499445.db2.gz FTRSYXDLADXMGZ-UHFFFAOYSA-N 2 0 287.404 -0.303 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H]2COCC[NH2+]2)CCCC[NH2+]1 ZINC000638612227 357503686 /nfs/dbraw/zinc/50/36/86/357503686.db2.gz NUHJORPJOVNSDP-DGCLKSJQSA-N 2 0 271.361 -0.750 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H]2COCC[NH2+]2)CCCC[NH2+]1 ZINC000638612228 357503724 /nfs/dbraw/zinc/50/37/24/357503724.db2.gz NUHJORPJOVNSDP-WCQYABFASA-N 2 0 271.361 -0.750 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2COCC[NH2+]2)cn1 ZINC000638612167 357504195 /nfs/dbraw/zinc/50/41/95/357504195.db2.gz MVLVEBPITKZQAX-GFCCVEGCSA-N 2 0 281.360 -0.837 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638611601 357504227 /nfs/dbraw/zinc/50/42/27/357504227.db2.gz IVVDZITVGBJGMQ-GFCCVEGCSA-N 2 0 285.388 -0.551 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000638615994 357507664 /nfs/dbraw/zinc/50/76/64/357507664.db2.gz HBLBJXGKJYUZNU-CHWSQXEVSA-N 2 0 293.371 -0.474 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000638616000 357508033 /nfs/dbraw/zinc/50/80/33/357508033.db2.gz HBLBJXGKJYUZNU-QWHCGFSZSA-N 2 0 293.371 -0.474 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000638249326 357444453 /nfs/dbraw/zinc/44/44/53/357444453.db2.gz WSUPVODOZRILEG-MNXVOIDGSA-N 2 0 267.373 -0.036 20 0 CBADRP C[C@]1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C[NH2+]CCO1 ZINC000638248060 357444458 /nfs/dbraw/zinc/44/44/58/357444458.db2.gz AXPAIXYGZAVITA-MBNYWOFBSA-N 2 0 267.373 -0.177 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H](CC[NH3+])C(F)F)C1 ZINC000638255855 357444892 /nfs/dbraw/zinc/44/48/92/357444892.db2.gz MWSRTGHUCXVSGQ-VAOFZXAKSA-N 2 0 265.304 -0.148 20 0 CBADRP C[C@@]1(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C[NH2+]CCO1 ZINC000638265932 357446280 /nfs/dbraw/zinc/44/62/80/357446280.db2.gz GZOULEYBGJRHDL-APPZFPTMSA-N 2 0 269.267 -0.239 20 0 CBADRP [NH3+]CC[C@H](NC(=O)CN1CC[NH2+]CC1)C(F)(F)F ZINC000638267018 357446328 /nfs/dbraw/zinc/44/63/28/357446328.db2.gz LUGLXLDLGFKTLD-QMMMGPOBSA-N 2 0 268.283 -0.713 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000638263416 357446420 /nfs/dbraw/zinc/44/64/20/357446420.db2.gz BFEIHTYJFYMNPY-GVXVVHGQSA-N 2 0 271.361 -0.752 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000638269737 357446852 /nfs/dbraw/zinc/44/68/52/357446852.db2.gz UBWDRWRUQPLAJM-BLFANLJRSA-N 2 0 255.362 -0.003 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000638270291 357447355 /nfs/dbraw/zinc/44/73/55/357447355.db2.gz GIPHYZPSMONCKG-MFKMUULPSA-N 2 0 255.362 -0.036 20 0 CBADRP CC1(C)CN(C(=O)[C@]2(C[NH3+])CCCOC2)CC[NH2+]1 ZINC000638269798 357447374 /nfs/dbraw/zinc/44/73/74/357447374.db2.gz AMFMXLKGPKOPHP-ZDUSSCGKSA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000638286263 357451569 /nfs/dbraw/zinc/45/15/69/357451569.db2.gz OSSBNJVBFNXIEH-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)CN1CC[NH2+]CC1 ZINC000638304922 357454623 /nfs/dbraw/zinc/45/46/23/357454623.db2.gz WMCAUVFHTPKNIR-UHFFFAOYSA-N 2 0 254.378 -0.556 20 0 CBADRP O=C(Cc1cccc2c1CC[NH2+]C2)NC[C@H]1C[NH2+]CCO1 ZINC000638337779 357459626 /nfs/dbraw/zinc/45/96/26/357459626.db2.gz JWERKBPJLBMFSF-CQSZACIVSA-N 2 0 289.379 -0.021 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000638345548 357461444 /nfs/dbraw/zinc/46/14/44/357461444.db2.gz ZGLKNIVPXFNLIT-LLVKDONJSA-N 2 0 255.362 -0.096 20 0 CBADRP C[C@@H]1C[C@H](C)N(C(=O)CN2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000638356755 357462655 /nfs/dbraw/zinc/46/26/55/357462655.db2.gz GLROTWNVVIVWJM-FRRDWIJNSA-N 2 0 268.405 -0.277 20 0 CBADRP C[C@@H]1C[C@H](C)N(C(=O)CN2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000638356754 357462788 /nfs/dbraw/zinc/46/27/88/357462788.db2.gz GLROTWNVVIVWJM-AGIUHOORSA-N 2 0 268.405 -0.277 20 0 CBADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cnc(N)nc2N)CC1 ZINC000638363144 357462861 /nfs/dbraw/zinc/46/28/61/357462861.db2.gz JFLIDHPERANTSA-NSHDSACASA-N 2 0 293.419 -0.583 20 0 CBADRP COCC(C)(C)[NH+]1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000638368434 357463526 /nfs/dbraw/zinc/46/35/26/357463526.db2.gz WCNCPGLHUKTFSW-UHFFFAOYSA-N 2 0 298.431 -0.539 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)C[C@H]1C[NH3+] ZINC000638390287 357465875 /nfs/dbraw/zinc/46/58/75/357465875.db2.gz JXORGPBZQKWXFH-BYNQJWBRSA-N 2 0 285.388 -0.424 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000638387543 357465996 /nfs/dbraw/zinc/46/59/96/357465996.db2.gz FNHFGCDJGYJQSK-PWSUYJOCSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@]1(C(=O)NCCC2CC[NH2+]CC2)C[NH2+]CCO1 ZINC000638394458 357466977 /nfs/dbraw/zinc/46/69/77/357466977.db2.gz VNXUGPDRIQOBET-ZDUSSCGKSA-N 2 0 255.362 -0.129 20 0 CBADRP CC(C)([NH3+])CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000638393416 357467520 /nfs/dbraw/zinc/46/75/20/357467520.db2.gz IFOKOHYYSLGSDA-UHFFFAOYSA-N 2 0 272.393 -0.178 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000638397012 357468631 /nfs/dbraw/zinc/46/86/31/357468631.db2.gz BYJMWPMUAPYMDS-MJBXVCDLSA-N 2 0 297.399 -0.184 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638409169 357470283 /nfs/dbraw/zinc/47/02/83/357470283.db2.gz MUYJTEYUADGWTK-AWEZNQCLSA-N 2 0 286.420 -0.635 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638417696 357472975 /nfs/dbraw/zinc/47/29/75/357472975.db2.gz IVBOWCNEHZJUGX-YXMLORGKSA-N 2 0 253.346 -0.308 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000638427763 357475170 /nfs/dbraw/zinc/47/51/70/357475170.db2.gz NAEKZOGGLVHUBI-QCNJJUDDSA-N 2 0 253.346 -0.378 20 0 CBADRP COC[C@@]1(C(=O)N2CCOC3(C[NH2+]C3)C2)CCCC[NH2+]1 ZINC000638438390 357476158 /nfs/dbraw/zinc/47/61/58/357476158.db2.gz VKIZCBUFLBDUMP-CQSZACIVSA-N 2 0 283.372 -0.654 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638485273 357483699 /nfs/dbraw/zinc/48/36/99/357483699.db2.gz IZFFMVKBAVCZQD-LBPRGKRZSA-N 2 0 297.403 -0.846 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638507697 357490746 /nfs/dbraw/zinc/49/07/46/357490746.db2.gz KLAMLMOESKCYPN-GVXVVHGQSA-N 2 0 265.357 -0.377 20 0 CBADRP CCN(CC[NH3+])C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000638513158 357491699 /nfs/dbraw/zinc/49/16/99/357491699.db2.gz NPPKRTKYEWMEFJ-SECBINFHSA-N 2 0 251.334 -0.093 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638515009 357491754 /nfs/dbraw/zinc/49/17/54/357491754.db2.gz WSQUCBNJOZCVDJ-GARJFASQSA-N 2 0 253.346 -0.249 20 0 CBADRP C[C@@]1(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C[NH2+]CCO1 ZINC000638513997 357491813 /nfs/dbraw/zinc/49/18/13/357491813.db2.gz PZNHKZOCAWXSGY-PWSUYJOCSA-N 2 0 253.346 -0.234 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC2([NH3+])CCOCC2)CC[N@@H+]1C ZINC000638539976 357493382 /nfs/dbraw/zinc/49/33/82/357493382.db2.gz MBOKFXFSPKSUGZ-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP COC[C@@]1(C(=O)NCC2([NH3+])CCOCC2)CCC[NH2+]1 ZINC000638540636 357493660 /nfs/dbraw/zinc/49/36/60/357493660.db2.gz RPOIUINPCZGQOP-CYBMUJFWSA-N 2 0 271.361 -0.621 20 0 CBADRP [NH3+]CC1(NC(=O)C[C@H]2CSCC[NH2+]2)CCOCC1 ZINC000638634648 357513682 /nfs/dbraw/zinc/51/36/82/357513682.db2.gz SYALHIUVZLCIBG-JTQLQIEISA-N 2 0 273.402 -0.294 20 0 CBADRP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC1(C[NH3+])CCOCC1 ZINC000638634541 357513714 /nfs/dbraw/zinc/51/37/14/357513714.db2.gz QJDHDEQBIGZTBC-GHMZBOCLSA-N 2 0 255.362 -0.015 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC1(C[NH3+])CCOCC1 ZINC000638634546 357513849 /nfs/dbraw/zinc/51/38/49/357513849.db2.gz QJDHDEQBIGZTBC-WDEREUQCSA-N 2 0 255.362 -0.015 20 0 CBADRP C[NH+](C)CC1(C(=O)NC2(C[NH3+])CCOCC2)CC1 ZINC000638631180 357514016 /nfs/dbraw/zinc/51/40/16/357514016.db2.gz HMRSTCOJTKWXLK-UHFFFAOYSA-N 2 0 255.362 -0.048 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643097 357514568 /nfs/dbraw/zinc/51/45/68/357514568.db2.gz KOWKUCCUDYPPNP-FOGDFJRCSA-N 2 0 270.377 -0.657 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)c2cn(CC[NH3+])nn2)C[NH2+]1 ZINC000638643032 357514746 /nfs/dbraw/zinc/51/47/46/357514746.db2.gz YQTXYATVLDTNSO-IUCAKERBSA-N 2 0 252.322 -0.893 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[NH2+]1 ZINC000638641637 357514833 /nfs/dbraw/zinc/51/48/33/357514833.db2.gz GDZCDAWONYHGNM-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C[NH2+]1 ZINC000638641498 357515123 /nfs/dbraw/zinc/51/51/23/357515123.db2.gz DADRUYNQSAYGIA-KQXIARHKSA-N 2 0 253.346 -0.521 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)c2cn(CCCC[NH3+])nn2)C[NH2+]1 ZINC000638653885 357516749 /nfs/dbraw/zinc/51/67/49/357516749.db2.gz ZYHZZCDFOZBYPI-WDEREUQCSA-N 2 0 280.376 -0.113 20 0 CBADRP COCC1(C(=O)NCCOCCC[NH3+])CC[NH2+]CC1 ZINC000638663301 357517846 /nfs/dbraw/zinc/51/78/46/357517846.db2.gz LHWHBLXOMVXAJB-UHFFFAOYSA-N 2 0 273.377 -0.516 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000638672078 357518163 /nfs/dbraw/zinc/51/81/63/357518163.db2.gz CDYZLSRFTTUPIX-RYUDHWBXSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NCCOCCC[NH3+])cn1 ZINC000638663719 357518235 /nfs/dbraw/zinc/51/82/35/357518235.db2.gz IMLRAIWJSCIACG-UHFFFAOYSA-N 2 0 283.376 -0.460 20 0 CBADRP CN(CCOCC[NH3+])C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000638674990 357518688 /nfs/dbraw/zinc/51/86/88/357518688.db2.gz PMLIGVAEFMKDAS-UHFFFAOYSA-N 2 0 295.387 -0.605 20 0 CBADRP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000638672667 357518754 /nfs/dbraw/zinc/51/87/54/357518754.db2.gz XKYQKSRKFJGKEK-VXGBXAGGSA-N 2 0 277.324 -0.170 20 0 CBADRP COCC1(C(=O)N(C)CCOCC[NH3+])CC[NH2+]CC1 ZINC000638674381 357518776 /nfs/dbraw/zinc/51/87/76/357518776.db2.gz INVKWGDQCJRVRR-UHFFFAOYSA-N 2 0 273.377 -0.564 20 0 CBADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)N(C)CCOCC[NH3+])C1(C)C ZINC000638674318 357519285 /nfs/dbraw/zinc/51/92/85/357519285.db2.gz IDDJBAVIHQUGRZ-SMDDNHRTSA-N 2 0 287.404 -0.047 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638767546 357527334 /nfs/dbraw/zinc/52/73/34/357527334.db2.gz GDERNNLKAWYPPY-AXFHLTTASA-N 2 0 268.361 -0.889 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000638780282 357528247 /nfs/dbraw/zinc/52/82/47/357528247.db2.gz PGPMDNHJXHEDNH-NWDGAFQWSA-N 2 0 254.378 -0.510 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000638781147 357528253 /nfs/dbraw/zinc/52/82/53/357528253.db2.gz WKTMAENZSUGOHM-QWHCGFSZSA-N 2 0 268.405 -0.119 20 0 CBADRP O=C([C@H]1CC[NH2+]1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638784729 357528270 /nfs/dbraw/zinc/52/82/70/357528270.db2.gz VVGCQGMSHSGOPO-QWHCGFSZSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638776975 357528426 /nfs/dbraw/zinc/52/84/26/357528426.db2.gz AHCPRLWGSZVJLG-UONOGXRCSA-N 2 0 297.399 -0.408 20 0 CBADRP [NH3+][C@H]1CCCCCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000638820002 357534017 /nfs/dbraw/zinc/53/40/17/357534017.db2.gz OLQDSOVHSGYZFW-STQMWFEESA-N 2 0 296.415 -0.025 20 0 CBADRP O=C(NCc1cccc2c1CC[NH2+]C2)[C@H]1C[NH2+]CCO1 ZINC000638841791 357535110 /nfs/dbraw/zinc/53/51/10/357535110.db2.gz DVJXBECZQAFTGY-CQSZACIVSA-N 2 0 275.352 -0.063 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000638855709 357538721 /nfs/dbraw/zinc/53/87/21/357538721.db2.gz HZQJSKDVJJPFIC-OLZOCXBDSA-N 2 0 296.415 -0.219 20 0 CBADRP CC1([NH+]2CCCC2)CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000638860300 357538780 /nfs/dbraw/zinc/53/87/80/357538780.db2.gz YKLLLDAIJBXZCX-UHFFFAOYSA-N 2 0 282.388 -0.462 20 0 CBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)C(C)(C)C[NH3+])CC2)C1=O ZINC000638855587 357538883 /nfs/dbraw/zinc/53/88/83/357538883.db2.gz FJEIFZJOBXEFCK-GFCCVEGCSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)[NH2+]CC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000638855320 357538985 /nfs/dbraw/zinc/53/89/85/357538985.db2.gz AZCRFYHRSDOHRK-CYBMUJFWSA-N 2 0 296.415 -0.204 20 0 CBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)C[NH2+]C3CC3)CC2)C1=O ZINC000638856773 357539149 /nfs/dbraw/zinc/53/91/49/357539149.db2.gz SYUIFSRETNARFK-ZDUSSCGKSA-N 2 0 294.399 -0.450 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000638855574 357539272 /nfs/dbraw/zinc/53/92/72/357539272.db2.gz FDQONSMEZRQKBW-CHWSQXEVSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[NH+]1CCN(CCC[NH2+]Cc2cnc(N)nc2N)CC1 ZINC000638854912 357539302 /nfs/dbraw/zinc/53/93/02/357539302.db2.gz XZDOZZPYJXTKIP-UHFFFAOYSA-N 2 0 293.419 -0.581 20 0 CBADRP [NH3+]C1CCC(OCC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000638914651 357542798 /nfs/dbraw/zinc/54/27/98/357542798.db2.gz CCNPGUZOKVIPEL-YECOWLKZSA-N 2 0 253.346 -0.154 20 0 CBADRP O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638916005 357543133 /nfs/dbraw/zinc/54/31/33/357543133.db2.gz TWPCXIKTXXOQLF-DCAQKATOSA-N 2 0 276.344 -0.784 20 0 CBADRP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638918000 357543664 /nfs/dbraw/zinc/54/36/64/357543664.db2.gz WUMRILRQNMCJOI-UTLUCORTSA-N 2 0 261.329 -0.327 20 0 CBADRP O=C(N1C[C@H]2CC[C@@H](C1)[NH2+]2)C1(n2cccn2)CC[NH2+]CC1 ZINC000638925649 357544375 /nfs/dbraw/zinc/54/43/75/357544375.db2.gz RDCXNLIPDUCUQJ-BETUJISGSA-N 2 0 289.383 -0.075 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000638936032 357546097 /nfs/dbraw/zinc/54/60/97/357546097.db2.gz PGVMFTVZSCOMEK-NWDGAFQWSA-N 2 0 254.378 -0.428 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000638938033 357546166 /nfs/dbraw/zinc/54/61/66/357546166.db2.gz VYZRFGRBXLYLLC-WOPDTQHZSA-N 2 0 282.388 -0.655 20 0 CBADRP [NH3+]CCOCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986929 357548686 /nfs/dbraw/zinc/54/86/86/357548686.db2.gz IDZJQBUSZWEZME-UHFFFAOYSA-N 3 0 279.344 -0.595 20 0 CBADRP CC(C)[C@H]1CN(C(=O)[C@H](C)N2CCNCC2=O)CC[N@@H+]1C ZINC000639018703 357552822 /nfs/dbraw/zinc/55/28/22/357552822.db2.gz SLFKEFLRXHRNDE-QWHCGFSZSA-N 2 0 296.415 -0.395 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639026496 357554289 /nfs/dbraw/zinc/55/42/89/357554289.db2.gz GCPYHXNMNCZIBC-UTUOFQBUSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+][C@H]1CC[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000639030116 357555197 /nfs/dbraw/zinc/55/51/97/357555197.db2.gz AXJFJIILLFJITP-IJLUTSLNSA-N 2 0 282.388 -0.369 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC000639043658 357555797 /nfs/dbraw/zinc/55/57/97/357555797.db2.gz YCZKRIVMQSJNHW-JHJVBQTASA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+]1CCC2(CC[N@H+](CCNS(C)(=O)=O)C2)CC1 ZINC000639757051 357594199 /nfs/dbraw/zinc/59/41/99/357594199.db2.gz CRIAOWRIRINATH-UHFFFAOYSA-N 2 0 275.418 -0.047 20 0 CBADRP CCNC(=O)CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639760546 357595959 /nfs/dbraw/zinc/59/59/59/357595959.db2.gz BRNGVHORRUKSOT-CYBMUJFWSA-N 2 0 257.378 -0.099 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639769332 357597176 /nfs/dbraw/zinc/59/71/76/357597176.db2.gz XVWDDEFJZLPCGR-UONOGXRCSA-N 2 0 273.421 -0.313 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639841665 357603062 /nfs/dbraw/zinc/60/30/62/357603062.db2.gz XLWXCELRGYFZDL-UTUOFQBUSA-N 2 0 282.388 -0.621 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)CC1 ZINC000639854198 357609312 /nfs/dbraw/zinc/60/93/12/357609312.db2.gz JIHQZMLVAGMIQW-HIFRSBDPSA-N 2 0 299.415 -0.596 20 0 CBADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCCS(N)(=O)=O ZINC000641797010 357742449 /nfs/dbraw/zinc/74/24/49/357742449.db2.gz PIGILMPMGSOVBP-JTQLQIEISA-N 2 0 251.396 -0.030 20 0 CBADRP COc1cc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)on1 ZINC000641796657 357742678 /nfs/dbraw/zinc/74/26/78/357742678.db2.gz GOUFXEWVOQVWKO-JTQLQIEISA-N 2 0 282.344 -0.030 20 0 CBADRP CN1CCN(C(=O)CC[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000641800848 357743372 /nfs/dbraw/zinc/74/33/72/357743372.db2.gz HEINCJWLTGMRBS-VXGBXAGGSA-N 2 0 268.405 -0.134 20 0 CBADRP CN1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1(C)C ZINC000641824714 357746422 /nfs/dbraw/zinc/74/64/22/357746422.db2.gz KUSKWJAXPCXGOH-TXEJJXNPSA-N 2 0 294.399 -0.498 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000641995209 357749171 /nfs/dbraw/zinc/74/91/71/357749171.db2.gz BYEUEOIMWGMYDC-RDBSUJKOSA-N 2 0 295.431 -0.232 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000642080470 357749903 /nfs/dbraw/zinc/74/99/03/357749903.db2.gz ZYRKFKDFSIZMGU-NXEZZACHSA-N 2 0 298.412 -0.070 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000642056057 357749940 /nfs/dbraw/zinc/74/99/40/357749940.db2.gz VVESQGFNRIIGDX-LLVKDONJSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642114189 357750349 /nfs/dbraw/zinc/75/03/49/357750349.db2.gz OZJATQPDQKDGAB-ZJUUUORDSA-N 2 0 258.366 -0.704 20 0 CBADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642330411 357753178 /nfs/dbraw/zinc/75/31/78/357753178.db2.gz GHRZFRIDMJURJN-FVCCEPFGSA-N 2 0 298.431 -0.068 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000642439316 357754186 /nfs/dbraw/zinc/75/41/86/357754186.db2.gz BHDSELJRCGFZSJ-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000642439318 357754534 /nfs/dbraw/zinc/75/45/34/357754534.db2.gz BHDSELJRCGFZSJ-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642439938 357755417 /nfs/dbraw/zinc/75/54/17/357755417.db2.gz SIBRXZKRYVRAPY-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000642439531 357755682 /nfs/dbraw/zinc/75/56/82/357755682.db2.gz KYPIPZUOVIINMT-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000642439664 357755709 /nfs/dbraw/zinc/75/57/09/357755709.db2.gz NCUWNCSOBUAAQO-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000642535597 357756054 /nfs/dbraw/zinc/75/60/54/357756054.db2.gz KYBWJPINHAMHKS-GVXVVHGQSA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642537984 357756073 /nfs/dbraw/zinc/75/60/73/357756073.db2.gz OPXOQNXSGSGZIO-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000642535595 357756217 /nfs/dbraw/zinc/75/62/17/357756217.db2.gz KYBWJPINHAMHKS-DMDPSCGWSA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000642718546 357759427 /nfs/dbraw/zinc/75/94/27/357759427.db2.gz RRFQAWYDHDNRNA-DMDPSCGWSA-N 2 0 294.399 -0.547 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000642718691 357759746 /nfs/dbraw/zinc/75/97/46/357759746.db2.gz HHELTBONFWNCJD-WZRBSPASSA-N 2 0 294.399 -0.594 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCC1 ZINC000642785742 357761965 /nfs/dbraw/zinc/76/19/65/357761965.db2.gz GRVXFWOTUSFVJM-GFCCVEGCSA-N 2 0 294.399 -0.416 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@H]1[NH3+] ZINC000642785631 357762076 /nfs/dbraw/zinc/76/20/76/357762076.db2.gz AFGSBUURASPMGR-RAIGVLPGSA-N 2 0 294.399 -0.608 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000642785776 357762695 /nfs/dbraw/zinc/76/26/95/357762695.db2.gz JGRVXPLJQDUFBH-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000642809770 357763623 /nfs/dbraw/zinc/76/36/23/357763623.db2.gz OUAWDVMRZUTQAU-MNOVXSKESA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000642798349 357763672 /nfs/dbraw/zinc/76/36/72/357763672.db2.gz IJCSKWFVIFCIIP-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000642809771 357763896 /nfs/dbraw/zinc/76/38/96/357763896.db2.gz OUAWDVMRZUTQAU-QWRGUYRKSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000642894834 357764596 /nfs/dbraw/zinc/76/45/96/357764596.db2.gz LMKXBAGDOIHNGN-GFCCVEGCSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000642854658 357764920 /nfs/dbraw/zinc/76/49/20/357764920.db2.gz UZEWLZAWHZSFNU-DGCLKSJQSA-N 2 0 292.383 -0.131 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000642904540 357766225 /nfs/dbraw/zinc/76/62/25/357766225.db2.gz YNMFRVGYPIOQOP-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000642907845 357766360 /nfs/dbraw/zinc/76/63/60/357766360.db2.gz IEYICGRGASGCHN-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000642904362 357766683 /nfs/dbraw/zinc/76/66/83/357766683.db2.gz UOABEOLSMRBNNC-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000642909219 357767425 /nfs/dbraw/zinc/76/74/25/357767425.db2.gz IMMDOORIXYAJBT-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000642909757 357767731 /nfs/dbraw/zinc/76/77/31/357767731.db2.gz STIAIBHUFBBNIS-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000642909220 357767750 /nfs/dbraw/zinc/76/77/50/357767750.db2.gz IMMDOORIXYAJBT-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000642913202 357769232 /nfs/dbraw/zinc/76/92/32/357769232.db2.gz KSMCOYXNMSDVQH-LLVKDONJSA-N 2 0 270.377 -0.689 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642919325 357770267 /nfs/dbraw/zinc/77/02/67/357770267.db2.gz XBWIKTIUWYVJQM-UHFFFAOYSA-N 2 0 282.388 -0.591 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000642924610 357771134 /nfs/dbraw/zinc/77/11/34/357771134.db2.gz UYAAAWHXMXVFET-SNVBAGLBSA-N 2 0 268.361 -0.937 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000642951335 357772476 /nfs/dbraw/zinc/77/24/76/357772476.db2.gz NQEUYBNOXHJIMJ-NWDGAFQWSA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000642947278 357772520 /nfs/dbraw/zinc/77/25/20/357772520.db2.gz HALCQUIAGJLEMU-QWRGUYRKSA-N 2 0 270.377 -0.704 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000642988388 357774956 /nfs/dbraw/zinc/77/49/56/357774956.db2.gz HAESEGFULHHZAN-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000643471904 357784183 /nfs/dbraw/zinc/78/41/83/357784183.db2.gz PEKYGBXBDLMMQD-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000643471886 357784408 /nfs/dbraw/zinc/78/44/08/357784408.db2.gz NWWQRSBXMHBTND-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC[NH2+]1 ZINC000643482997 357785205 /nfs/dbraw/zinc/78/52/05/357785205.db2.gz SNBUALMLQUXACE-CYBMUJFWSA-N 2 0 298.431 -0.147 20 0 CBADRP CO[C@@H]1CCC[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C1 ZINC000643500510 357785987 /nfs/dbraw/zinc/78/59/87/357785987.db2.gz WPKSFLOBWXCBNO-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000643504191 357786146 /nfs/dbraw/zinc/78/61/46/357786146.db2.gz UAUPDAUCLBJVSG-QWHCGFSZSA-N 2 0 294.399 -0.367 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H]1[NH+](C)C ZINC000643520723 357786927 /nfs/dbraw/zinc/78/69/27/357786927.db2.gz GPRPATQBMCTRAH-FVCCEPFGSA-N 2 0 294.399 -0.927 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000643553559 357788954 /nfs/dbraw/zinc/78/89/54/357788954.db2.gz HMAFMRXSHPIHNE-QWHCGFSZSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000643585534 357790247 /nfs/dbraw/zinc/79/02/47/357790247.db2.gz CMVXRSQPQDRKOR-QNWHQSFQSA-N 2 0 294.399 -0.642 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)CS(C)(=O)=O)CN1CC[NH+](C)CC1 ZINC000341710600 216075250 /nfs/dbraw/zinc/07/52/50/216075250.db2.gz VDMUKTJMDBTDSG-STQMWFEESA-N 2 0 291.461 -0.107 20 0 CBADRP CC[N@@H+]1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)[C@@H](C)C1 ZINC000341777013 216098612 /nfs/dbraw/zinc/09/86/12/216098612.db2.gz OYZKQAWYVLHGIP-KBPBESRZSA-N 2 0 280.416 -0.071 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000423232876 283520667 /nfs/dbraw/zinc/52/06/67/283520667.db2.gz IXYHXVJXGSVRMA-LLVKDONJSA-N 2 0 270.377 -0.783 20 0 CBADRP CNC(=O)C[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000341894553 216141473 /nfs/dbraw/zinc/14/14/73/216141473.db2.gz GEQUUGBTBDQDBN-VXGBXAGGSA-N 2 0 256.394 -0.264 20 0 CBADRP C[C@@H]([NH3+])CN1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000515060624 296020105 /nfs/dbraw/zinc/02/01/05/296020105.db2.gz VZHTXNHXOSTHNZ-VXGBXAGGSA-N 2 0 254.378 -0.523 20 0 CBADRP CC[C@@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000529390302 283613716 /nfs/dbraw/zinc/61/37/16/283613716.db2.gz TVAHWYDEYBJCBT-WOPDTQHZSA-N 2 0 270.377 -0.256 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000529391330 283615151 /nfs/dbraw/zinc/61/51/51/283615151.db2.gz YTPWJSQJHPPANA-VWYCJHECSA-N 2 0 256.350 -0.647 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000538314524 283677018 /nfs/dbraw/zinc/67/70/18/283677018.db2.gz JYJFSUWMAXSOEE-CYBMUJFWSA-N 2 0 298.431 -0.193 20 0 CBADRP C[C@@H](NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1)C(=O)N(C)C ZINC000431028361 296047444 /nfs/dbraw/zinc/04/74/44/296047444.db2.gz PNTZINJKBGWZAT-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2)C(=O)N(C)C ZINC000358503745 296047710 /nfs/dbraw/zinc/04/77/10/296047710.db2.gz FKTQJMCKCDZREV-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H]1[C@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000339631554 291307123 /nfs/dbraw/zinc/30/71/23/291307123.db2.gz LLWDSJHPJRHPJW-WCQYABFASA-N 2 0 296.415 -0.204 20 0 CBADRP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000220332328 296064002 /nfs/dbraw/zinc/06/40/02/296064002.db2.gz CJKWUIOLBDGFKV-UPJWGTAASA-N 2 0 267.373 -0.204 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC[NH2+]C1 ZINC000574269534 335005072 /nfs/dbraw/zinc/00/50/72/335005072.db2.gz BAYTUSRSHPOTOT-WZRBSPASSA-N 2 0 255.362 -0.192 20 0 CBADRP COC(=O)[C@H]1CN(C(=O)/C=C\C[NH+](C)C)CC[N@H+](C)C1 ZINC000493236641 284111292 /nfs/dbraw/zinc/11/12/92/284111292.db2.gz HKLWVVKPVOCIFY-FOQNGQEVSA-N 2 0 283.372 -0.333 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000574336225 335011481 /nfs/dbraw/zinc/01/14/81/335011481.db2.gz LOVHPYXBGVRDPB-QLFBSQMISA-N 2 0 285.432 -0.049 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)c1cnn(C)c1 ZINC000343595708 216836997 /nfs/dbraw/zinc/83/69/97/216836997.db2.gz MFTDKDNYIXLNJH-LSJOCFKGSA-N 2 0 251.334 -0.371 20 0 CBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365329948 296147828 /nfs/dbraw/zinc/14/78/28/296147828.db2.gz JUKACSPMMWDUIQ-QSLWVIQJSA-N 2 0 279.384 -0.348 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000331665408 204056368 /nfs/dbraw/zinc/05/63/68/204056368.db2.gz QXAFOYUHQWYAPQ-UPJWGTAASA-N 2 0 294.399 -0.450 20 0 CBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000331824924 204207417 /nfs/dbraw/zinc/20/74/17/204207417.db2.gz CLSUGWZWLZZARR-GFCCVEGCSA-N 2 0 296.415 -0.121 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)[C@H]2C1 ZINC000331995324 204371515 /nfs/dbraw/zinc/37/15/15/204371515.db2.gz BHSRVGKAWONGHD-UPJWGTAASA-N 2 0 294.399 -0.593 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)CC1=O ZINC000344048786 217027602 /nfs/dbraw/zinc/02/76/02/217027602.db2.gz NWGZVYKFYGBKJW-QWHCGFSZSA-N 2 0 296.415 -0.536 20 0 CBADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000344303842 217141785 /nfs/dbraw/zinc/14/17/85/217141785.db2.gz CMOZOPWLCUBHFD-HOTGVXAUSA-N 2 0 298.475 -0.084 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000333132206 205056121 /nfs/dbraw/zinc/05/61/21/205056121.db2.gz BWKQDYMDSGSMQF-OCCSQVGLSA-N 2 0 295.431 -0.327 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000068807572 372767439 /nfs/dbraw/zinc/76/74/39/372767439.db2.gz OSDRIHLIJDDXQM-TZMCWYRMSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000333167383 205086952 /nfs/dbraw/zinc/08/69/52/205086952.db2.gz HOOVBYUBHLVNOO-RAIGVLPGSA-N 2 0 282.388 -0.243 20 0 CBADRP O=C(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N1CC[NH2+]CC1 ZINC000090906269 372773519 /nfs/dbraw/zinc/77/35/19/372773519.db2.gz YJPYKNNDXLGVKU-TXEJJXNPSA-N 2 0 253.346 -0.329 20 0 CBADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000158207304 372811830 /nfs/dbraw/zinc/81/18/30/372811830.db2.gz WPJFPYYDXSUODB-DOMZBBRYSA-N 2 0 298.431 -0.114 20 0 CBADRP [NH3+]C[C@@H](NC(=O)N1CCOC2(C[NH2+]C2)C1)C1CCCC1 ZINC000333192170 205104429 /nfs/dbraw/zinc/10/44/29/205104429.db2.gz ACNRTCPDUVKEQC-GFCCVEGCSA-N 2 0 282.388 -0.112 20 0 CBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H](C[NH3+])OC)C1 ZINC000353449618 220088964 /nfs/dbraw/zinc/08/89/64/220088964.db2.gz NVXPTIPMXBBLLD-CHWSQXEVSA-N 2 0 287.404 -0.081 20 0 CBADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H](C)[NH3+])CC2)C1 ZINC000178885341 372840419 /nfs/dbraw/zinc/84/04/19/372840419.db2.gz GJXXJFRDJGHJCD-UONOGXRCSA-N 2 0 298.431 -0.413 20 0 CBADRP CC[C@H](C(=O)NC[C@@H]1CN2CCN1CC2)[NH+](C)C ZINC000178974762 372841127 /nfs/dbraw/zinc/84/11/27/372841127.db2.gz DGZSZJXUXXIQEV-VXGBXAGGSA-N 2 0 254.378 -0.557 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228471695 372878518 /nfs/dbraw/zinc/87/85/18/372878518.db2.gz QDKZPOGPGPLFGO-HBNTYKKESA-N 2 0 268.361 -0.109 20 0 CBADRP CNC(=O)CC[NH+](C)C/C=C\C[N@@H+](C)CCC(=O)NC ZINC000255492875 372901890 /nfs/dbraw/zinc/90/18/90/372901890.db2.gz BMFXYVFZKQXJTP-WAYWQWQTSA-N 2 0 284.404 -0.322 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000333358051 205251476 /nfs/dbraw/zinc/25/14/76/205251476.db2.gz KPAWSPRWNXPPPM-AGIUHOORSA-N 2 0 282.388 -0.290 20 0 CBADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCC(=O)NC(N)=O)C2)C1 ZINC000331523543 372996052 /nfs/dbraw/zinc/99/60/52/372996052.db2.gz CPZHQAHVYYNYFG-CYBMUJFWSA-N 2 0 268.361 -0.011 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)[C@@H](C)C[NH2+]1 ZINC000331881330 372999931 /nfs/dbraw/zinc/99/99/31/372999931.db2.gz NTPYVYZBWLYBFM-NEPJUHHUSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000333495586 205372963 /nfs/dbraw/zinc/37/29/63/205372963.db2.gz CTZKBSSKAFRHTQ-QJPTWQEYSA-N 2 0 270.377 -0.243 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000353538676 220143731 /nfs/dbraw/zinc/14/37/31/220143731.db2.gz XXHCHYHVDMRMFD-ZDUSSCGKSA-N 2 0 286.420 -0.650 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000353538675 220144247 /nfs/dbraw/zinc/14/42/47/220144247.db2.gz XXHCHYHVDMRMFD-CYBMUJFWSA-N 2 0 286.420 -0.650 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000342375002 373046084 /nfs/dbraw/zinc/04/60/84/373046084.db2.gz OFICRJFOHLLHPJ-VXGBXAGGSA-N 2 0 257.378 -0.122 20 0 CBADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000351851297 373100499 /nfs/dbraw/zinc/10/04/99/373100499.db2.gz LHZJBARXDWJEAM-OBJOEFQTSA-N 2 0 296.415 -0.265 20 0 CBADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000347659834 373072740 /nfs/dbraw/zinc/07/27/40/373072740.db2.gz CTDZUJQXKWHDTL-GFCCVEGCSA-N 2 0 284.404 -0.168 20 0 CBADRP C[N@H+](CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000354691278 373120790 /nfs/dbraw/zinc/12/07/90/373120790.db2.gz MHLWRHBYISGJML-LBPRGKRZSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358051851 373170020 /nfs/dbraw/zinc/17/00/20/373170020.db2.gz RYVDPBSWOXHJLA-GXTWGEPZSA-N 2 0 285.388 -0.863 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358051852 373170297 /nfs/dbraw/zinc/17/02/97/373170297.db2.gz RYVDPBSWOXHJLA-JSGCOSHPSA-N 2 0 285.388 -0.863 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCc3nc[nH]c3C2)C1 ZINC000360505209 373201981 /nfs/dbraw/zinc/20/19/81/373201981.db2.gz SWEWLKNPTVUFRX-HZMBPMFUSA-N 2 0 293.371 -0.367 20 0 CBADRP C[C@]1(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CCC[NH2+]C1 ZINC000353592949 220179453 /nfs/dbraw/zinc/17/94/53/220179453.db2.gz UNPSGXNZANBRER-DOMZBBRYSA-N 2 0 296.415 -0.168 20 0 CBADRP C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000362069941 373364395 /nfs/dbraw/zinc/36/43/95/373364395.db2.gz WEGSHKWDMAFYFL-AWEZNQCLSA-N 2 0 280.416 -0.166 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000362516573 373421140 /nfs/dbraw/zinc/42/11/40/373421140.db2.gz QRPHYAKBAPTAQY-QWHCGFSZSA-N 2 0 268.405 -0.452 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000362836522 373451497 /nfs/dbraw/zinc/45/14/97/373451497.db2.gz HKXXRPKAMMPEOS-JHJVBQTASA-N 2 0 269.389 -0.027 20 0 CBADRP CC[N@H+](CC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O)C1CC1 ZINC000343590201 284398923 /nfs/dbraw/zinc/39/89/23/284398923.db2.gz TVRRYDOGDHBLLR-CYBMUJFWSA-N 2 0 296.415 -0.073 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000364726622 373521380 /nfs/dbraw/zinc/52/13/80/373521380.db2.gz ZKRCGXOPSUMFAQ-WCBMZHEXSA-N 2 0 263.345 -0.087 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000398997228 373585548 /nfs/dbraw/zinc/58/55/48/373585548.db2.gz QBJTUDSRQQTMLV-ZDUSSCGKSA-N 2 0 268.405 -0.133 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)C1 ZINC000374506921 373564151 /nfs/dbraw/zinc/56/41/51/373564151.db2.gz QYONFYXTKHMXJO-QCNOEVLYSA-N 2 0 253.346 -0.297 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000417096213 373628904 /nfs/dbraw/zinc/62/89/04/373628904.db2.gz VTKXABMMWKTQOD-MNOVXSKESA-N 2 0 260.382 -0.010 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417277075 373629272 /nfs/dbraw/zinc/62/92/72/373629272.db2.gz GECGQSVVEFFAAL-TUAOUCFPSA-N 2 0 252.362 -0.059 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417439998 373629465 /nfs/dbraw/zinc/62/94/65/373629465.db2.gz NHENESGDAQYCGW-STQMWFEESA-N 2 0 284.404 -0.042 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417441398 373629851 /nfs/dbraw/zinc/62/98/51/373629851.db2.gz PXIBOXLCSOWGMD-VIFPVBQESA-N 2 0 282.335 -0.154 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000418537393 373633129 /nfs/dbraw/zinc/63/31/29/373633129.db2.gz CUEQCGGXIRNTEE-UTUOFQBUSA-N 2 0 272.393 -0.180 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419028417 373636761 /nfs/dbraw/zinc/63/67/61/373636761.db2.gz QHIRWTZKKBZAIB-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CCC[N@@H+]1C ZINC000419542366 373637755 /nfs/dbraw/zinc/63/77/55/373637755.db2.gz FJPSPHNNGNKUFQ-UTUOFQBUSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419428883 373637809 /nfs/dbraw/zinc/63/78/09/373637809.db2.gz UCCMAUIFCFXCQF-WCQYABFASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000419415255 373638555 /nfs/dbraw/zinc/63/85/55/373638555.db2.gz VDHCPDYSCYPKCP-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000419591549 373640871 /nfs/dbraw/zinc/64/08/71/373640871.db2.gz RHNVJQGHGIJQJS-QWRGUYRKSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000419580874 373641779 /nfs/dbraw/zinc/64/17/79/373641779.db2.gz HVFSLDMTQOUWKP-CMPLNLGQSA-N 2 0 282.388 -0.465 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)C(C)C ZINC000419914592 373642670 /nfs/dbraw/zinc/64/26/70/373642670.db2.gz OFMAEYQQBZSXRG-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1C[NH3+] ZINC000422561158 373651663 /nfs/dbraw/zinc/65/16/63/373651663.db2.gz JKLKQOUZNKWRFS-UTUOFQBUSA-N 2 0 294.399 -0.111 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000424171769 373664768 /nfs/dbraw/zinc/66/47/68/373664768.db2.gz JKYOEAKKCKRVSX-YNEHKIRRSA-N 2 0 267.373 -0.083 20 0 CBADRP CNC(=O)NC(=O)CC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431011678 373675503 /nfs/dbraw/zinc/67/55/03/373675503.db2.gz BPKWLHDMGLXTHM-UHFFFAOYSA-N 2 0 268.361 -0.092 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000431015664 373675724 /nfs/dbraw/zinc/67/57/24/373675724.db2.gz PZGVCBMTRJMWBJ-QWHCGFSZSA-N 2 0 268.405 -0.404 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000434678684 373678124 /nfs/dbraw/zinc/67/81/24/373678124.db2.gz JNLIWCWHTDYBGQ-NEPJUHHUSA-N 2 0 256.394 -0.134 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1C[NH2+]CCO1 ZINC000444192174 373683815 /nfs/dbraw/zinc/68/38/15/373683815.db2.gz YETBHOUKOSETNZ-QJPTWQEYSA-N 2 0 253.346 -0.282 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000447436577 373685322 /nfs/dbraw/zinc/68/53/22/373685322.db2.gz ADOBDMVSULDHMT-DLOVCJGASA-N 2 0 255.362 -0.051 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000514933930 373769581 /nfs/dbraw/zinc/76/95/81/373769581.db2.gz AIUIEOUJOPZCPJ-UPJWGTAASA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)CC1(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CCC1 ZINC000516363714 373811294 /nfs/dbraw/zinc/81/12/94/373811294.db2.gz BUPZJYIHYUVLKK-CYBMUJFWSA-N 2 0 280.416 -0.023 20 0 CBADRP C[NH+](C)CC1(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CCC1 ZINC000516363717 373811445 /nfs/dbraw/zinc/81/14/45/373811445.db2.gz BUPZJYIHYUVLKK-ZDUSSCGKSA-N 2 0 280.416 -0.023 20 0 CBADRP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)[C@H]1CC[NH2+]1 ZINC000516650142 373818407 /nfs/dbraw/zinc/81/84/07/373818407.db2.gz NLTFBPKJJAJWBH-WXRRBKDZSA-N 2 0 266.389 -0.319 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)C[NH+]1CCCC1 ZINC000519833586 373828112 /nfs/dbraw/zinc/82/81/12/373828112.db2.gz PLFQPFBCWBCEFX-RYUDHWBXSA-N 2 0 282.388 -0.687 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000520810289 373835018 /nfs/dbraw/zinc/83/50/18/373835018.db2.gz LKRGLEFMAAWFAO-KXUCPTDWSA-N 2 0 257.334 -0.619 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000520810290 373835550 /nfs/dbraw/zinc/83/55/50/373835550.db2.gz LKRGLEFMAAWFAO-LPEHRKFASA-N 2 0 257.334 -0.619 20 0 CBADRP C[C@@]1(C(=O)N2CCCO[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000515651791 373794075 /nfs/dbraw/zinc/79/40/75/373794075.db2.gz ROSISZBBCHMJSK-DGCLKSJQSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H]1CN(CC[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CCO1 ZINC000515846085 373798203 /nfs/dbraw/zinc/79/82/03/373798203.db2.gz CDQFDVVYCQRZID-KGLIPLIRSA-N 2 0 298.431 -0.506 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000524466078 373885070 /nfs/dbraw/zinc/88/50/70/373885070.db2.gz NXOOOGUSRZDAPK-JSGCOSHPSA-N 2 0 295.431 -0.232 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC[NH+]1CC=CCC1 ZINC000525990028 373893772 /nfs/dbraw/zinc/89/37/72/373893772.db2.gz GJKQPPGJQWIMCN-CQSZACIVSA-N 2 0 295.431 -0.207 20 0 CBADRP CC(C)[C@H](C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)[NH+](C)C ZINC000521269464 373842089 /nfs/dbraw/zinc/84/20/89/373842089.db2.gz ARHPMUZDSNHLBC-NWDGAFQWSA-N 2 0 286.420 -0.245 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000521998603 373856075 /nfs/dbraw/zinc/85/60/75/373856075.db2.gz YWUPNOMXXFVGEG-STQMWFEESA-N 2 0 296.415 -0.183 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N1CC[NH+](C)CC1 ZINC000522265193 373867311 /nfs/dbraw/zinc/86/73/11/373867311.db2.gz LHEKIAZQPLVZJH-STQMWFEESA-N 2 0 268.405 -0.310 20 0 CBADRP C[C@@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)N1CCN(C)CC1 ZINC000574454066 335021271 /nfs/dbraw/zinc/02/12/71/335021271.db2.gz OMJUUIATCHWSER-AGIUHOORSA-N 2 0 268.405 -0.264 20 0 CBADRP C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)C1=CC[N@H+](C)CC1 ZINC000529323181 373999848 /nfs/dbraw/zinc/99/98/48/373999848.db2.gz MGYWEZUVGYRBQQ-WCQYABFASA-N 2 0 282.388 -0.076 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529297377 374000402 /nfs/dbraw/zinc/00/04/02/374000402.db2.gz DPHAKALIWXRIJC-GHMZBOCLSA-N 2 0 256.350 -0.632 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529330411 374001916 /nfs/dbraw/zinc/00/19/16/374001916.db2.gz PFSQBYDKWRPLBN-LBPRGKRZSA-N 2 0 281.404 -0.525 20 0 CBADRP C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000529332547 374004200 /nfs/dbraw/zinc/00/42/00/374004200.db2.gz NHWCATPQAIZDOR-SRVKXCTJSA-N 2 0 270.377 -0.338 20 0 CBADRP O=C(NC[C@@H]1CCCC[NH2+]1)NC[C@H]1COCC[NH2+]1 ZINC000529331365 374004277 /nfs/dbraw/zinc/00/42/77/374004277.db2.gz VJMLHXFTMWBLOO-QWRGUYRKSA-N 2 0 256.350 -0.584 20 0 CBADRP C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000529332545 374004833 /nfs/dbraw/zinc/00/48/33/374004833.db2.gz NHWCATPQAIZDOR-SDDRHHMPSA-N 2 0 270.377 -0.338 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000529338037 374006392 /nfs/dbraw/zinc/00/63/92/374006392.db2.gz IAVXUSMXMSXQFA-STQMWFEESA-N 2 0 283.420 -0.471 20 0 CBADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529338009 374006661 /nfs/dbraw/zinc/00/66/61/374006661.db2.gz HPLFSIRVKOCDCJ-SZQBSXBZSA-N 2 0 282.388 -0.210 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000529341666 374007000 /nfs/dbraw/zinc/00/70/00/374007000.db2.gz KBKWWWWMBDRVAS-YVECIDJPSA-N 2 0 282.388 -0.338 20 0 CBADRP O=C(NCC1=CC[NH2+]CC1)NC[C@@H]1COCC[NH2+]1 ZINC000529337388 374007054 /nfs/dbraw/zinc/00/70/54/374007054.db2.gz YUZILWHLXOPFQZ-LLVKDONJSA-N 2 0 254.334 -0.806 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000529373503 374013641 /nfs/dbraw/zinc/01/36/41/374013641.db2.gz FBBAPCJKPUYHBT-CHWSQXEVSA-N 2 0 282.388 -0.146 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529378620 374020494 /nfs/dbraw/zinc/02/04/94/374020494.db2.gz JPQMTTSEDKPFFK-RYUDHWBXSA-N 2 0 270.377 -0.290 20 0 CBADRP CC(C)[C@@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC000529381082 374022153 /nfs/dbraw/zinc/02/21/53/374022153.db2.gz XFNPHXOHOVKGIL-OLZOCXBDSA-N 2 0 284.404 -0.044 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529387862 374025059 /nfs/dbraw/zinc/02/50/59/374025059.db2.gz MVYKDTGEUXDENF-QWRGUYRKSA-N 2 0 256.350 -0.632 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000529387895 374026930 /nfs/dbraw/zinc/02/69/30/374026930.db2.gz MWYYFLJAKXZNEM-WCQYABFASA-N 2 0 268.361 -0.630 20 0 CBADRP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239334 374068943 /nfs/dbraw/zinc/06/89/43/374068943.db2.gz RYCMYJNTFMMVRR-CMPLNLGQSA-N 2 0 298.387 -0.340 20 0 CBADRP O=C1NCC[C@H]1[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239707 374069367 /nfs/dbraw/zinc/06/93/67/374069367.db2.gz HCZJEUIHJKDHSV-QWHCGFSZSA-N 2 0 267.373 -0.035 20 0 CBADRP CN1CC[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1=O ZINC000530641786 374092261 /nfs/dbraw/zinc/09/22/61/374092261.db2.gz LRPCPLJWZAGFAP-CYBMUJFWSA-N 2 0 298.431 -0.193 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CN1CCCC1=O ZINC000530881275 374103876 /nfs/dbraw/zinc/10/38/76/374103876.db2.gz KINQFZYKUGJHHF-UHFFFAOYSA-N 2 0 284.404 -0.439 20 0 CBADRP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NCC[NH+](C)C ZINC000552082089 374261360 /nfs/dbraw/zinc/26/13/60/374261360.db2.gz FZGZPNBXKITMFH-XQQFMLRXSA-N 2 0 298.431 -0.101 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000551897976 374248934 /nfs/dbraw/zinc/24/89/34/374248934.db2.gz FMTPBMURCTYGLI-UHFFFAOYSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCC[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000562457009 374319709 /nfs/dbraw/zinc/31/97/09/374319709.db2.gz GMPMBNNQLUEQQX-YVECIDJPSA-N 2 0 296.415 -0.395 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000564740008 374327751 /nfs/dbraw/zinc/32/77/51/374327751.db2.gz MTKFULFAUVMJCB-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000575236432 374337889 /nfs/dbraw/zinc/33/78/89/374337889.db2.gz RBIOCPHDQKBLBE-QWHCGFSZSA-N 2 0 283.420 -0.374 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000575309736 374338126 /nfs/dbraw/zinc/33/81/26/374338126.db2.gz VAYRPWLHNKTPRA-CHWSQXEVSA-N 2 0 296.415 -0.360 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000577843292 374340399 /nfs/dbraw/zinc/34/03/99/374340399.db2.gz WHCOYBKNMZCVOP-CYBMUJFWSA-N 3 0 285.436 -0.127 20 0 CBADRP CN(CC[NH3+])C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000583754001 374365725 /nfs/dbraw/zinc/36/57/25/374365725.db2.gz WGEUMECUBGVNRU-UHFFFAOYSA-N 2 0 251.334 -0.621 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000583756353 374365935 /nfs/dbraw/zinc/36/59/35/374365935.db2.gz ZZBVOCWITSYLOK-YPMHNXCESA-N 2 0 255.362 -0.177 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000583753154 374366139 /nfs/dbraw/zinc/36/61/39/374366139.db2.gz PRWXJBOFPDNMOB-GHMZBOCLSA-N 2 0 284.404 -0.171 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000583811186 374367431 /nfs/dbraw/zinc/36/74/31/374367431.db2.gz JPZZWWUXNBMDMX-BBBLOLIVSA-N 2 0 257.334 -0.537 20 0 CBADRP COCC[NH2+]CCNC(=O)N(C)Cc1c[nH]cn1 ZINC000583764852 374367448 /nfs/dbraw/zinc/36/74/48/374367448.db2.gz XDSGIMFQPMJRQX-UHFFFAOYSA-N 2 0 255.322 -0.213 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000577955505 374346141 /nfs/dbraw/zinc/34/61/41/374346141.db2.gz WATSDRFDFQQDKK-MNOVXSKESA-N 2 0 271.361 -0.275 20 0 CBADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000578063517 374349981 /nfs/dbraw/zinc/34/99/81/374349981.db2.gz CTSMTJYBULXXGF-CHWSQXEVSA-N 2 0 296.415 -0.168 20 0 CBADRP COC(=O)c1cn(CC[NH2+]C[C@@H](O)CN(C)C2CC2)nn1 ZINC000578065237 374351194 /nfs/dbraw/zinc/35/11/94/374351194.db2.gz RWPKGKGPDAQTFC-LLVKDONJSA-N 2 0 297.359 -0.891 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CCOC3)[C@@H]2C1 ZINC000643794223 374422136 /nfs/dbraw/zinc/42/21/36/374422136.db2.gz LXTKIYZONQWVEL-JHJVBQTASA-N 2 0 267.373 -0.225 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000643801021 374427527 /nfs/dbraw/zinc/42/75/27/374427527.db2.gz SIAHOXRQHHJKRA-QWRGUYRKSA-N 2 0 284.404 -0.184 20 0 CBADRP C[C@H]1CCCN(C(=O)c2cn(CCC[NH3+])nn2)[C@H]1C[NH3+] ZINC000644063353 374482158 /nfs/dbraw/zinc/48/21/58/374482158.db2.gz RJLAQERXZHOLCK-JQWIXIFHSA-N 2 0 280.376 -0.174 20 0 CBADRP C[C@H]1CN(C(=O)c2cn(CCC[NH3+])nn2)C[C@H](C)[NH2+]1 ZINC000644087202 374487864 /nfs/dbraw/zinc/48/78/64/374487864.db2.gz XPXUGNQFLBLPOJ-UWVGGRQHSA-N 2 0 266.349 -0.551 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000644124050 374490735 /nfs/dbraw/zinc/49/07/35/374490735.db2.gz JXWFZIXIVSRDDS-GHMZBOCLSA-N 2 0 270.377 -0.573 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000644124052 374490955 /nfs/dbraw/zinc/49/09/55/374490955.db2.gz JXWFZIXIVSRDDS-QWRGUYRKSA-N 2 0 270.377 -0.573 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC000644144761 374493781 /nfs/dbraw/zinc/49/37/81/374493781.db2.gz LZMVXLXLYWAHTB-FZMZJTMJSA-N 2 0 267.373 -0.129 20 0 CBADRP CN(CC[NH3+])C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000574518261 335025928 /nfs/dbraw/zinc/02/59/28/335025928.db2.gz ZDERBBLSHAVQPC-GBIKHYSHSA-N 2 0 255.362 -0.064 20 0 CBADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC000644562453 374594925 /nfs/dbraw/zinc/59/49/25/374594925.db2.gz RWVYCGGGHWPIOD-CQSZACIVSA-N 2 0 295.431 -0.140 20 0 CBADRP [NH3+]CCOCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645104427 374643917 /nfs/dbraw/zinc/64/39/17/374643917.db2.gz MVFXRLKZGNHPKT-RYUDHWBXSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]CCOCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645104425 374644008 /nfs/dbraw/zinc/64/40/08/374644008.db2.gz MVFXRLKZGNHPKT-NEPJUHHUSA-N 2 0 255.362 -0.048 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000645767244 374699181 /nfs/dbraw/zinc/69/91/81/374699181.db2.gz GMXJHNPQCVSVFA-QWHCGFSZSA-N 2 0 285.388 -0.410 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000645135098 374645040 /nfs/dbraw/zinc/64/50/40/374645040.db2.gz YFKAXIODPTZTLH-LLVKDONJSA-N 2 0 268.361 -0.981 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000645135102 374645221 /nfs/dbraw/zinc/64/52/21/374645221.db2.gz YFKAXIODPTZTLH-NSHDSACASA-N 2 0 268.361 -0.981 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000645803288 374700751 /nfs/dbraw/zinc/70/07/51/374700751.db2.gz NIVUXSODWCLGMR-NSHDSACASA-N 2 0 269.349 -0.253 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000645684663 374693186 /nfs/dbraw/zinc/69/31/86/374693186.db2.gz DGWFTLKNJORMQV-GHMZBOCLSA-N 2 0 268.361 -0.935 20 0 CBADRP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000646163152 374748833 /nfs/dbraw/zinc/74/88/33/374748833.db2.gz VLGKYEPNXJDGCW-AWEZNQCLSA-N 2 0 299.415 -0.066 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000646180954 374750211 /nfs/dbraw/zinc/75/02/11/374750211.db2.gz MSNLBWPABGHXFB-LBPRGKRZSA-N 2 0 271.361 -0.798 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CC2([NH3+])CCC2)C1 ZINC000645869484 374709907 /nfs/dbraw/zinc/70/99/07/374709907.db2.gz HFDAKVNUCOLAEX-GFCCVEGCSA-N 2 0 296.415 -0.039 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000645891277 374711391 /nfs/dbraw/zinc/71/13/91/374711391.db2.gz NQMJKTSVAPLPNZ-CHWSQXEVSA-N 2 0 294.399 -0.449 20 0 CBADRP C[C@H]1COCCN1CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645932841 374712996 /nfs/dbraw/zinc/71/29/96/374712996.db2.gz MJEYRIWRPBNEFE-WDEREUQCSA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@@H]1COCCN1CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645932838 374713160 /nfs/dbraw/zinc/71/31/60/374713160.db2.gz MJEYRIWRPBNEFE-GHMZBOCLSA-N 2 0 255.362 -0.179 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@@H]2C)C1 ZINC000645951643 374717731 /nfs/dbraw/zinc/71/77/31/374717731.db2.gz SATMMSDEGDRZQE-WOPDTQHZSA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645978121 374720625 /nfs/dbraw/zinc/72/06/25/374720625.db2.gz SNOMYCKMLFPCEN-NEPJUHHUSA-N 3 0 268.405 -0.134 20 0 CBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H]3CC[NH2+]3)C2)CC1 ZINC000645977752 374720735 /nfs/dbraw/zinc/72/07/35/374720735.db2.gz KYWVUKOKOKEHRG-WCQYABFASA-N 3 0 266.389 -0.367 20 0 CBADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H](C)[NH3+] ZINC000646009355 374726479 /nfs/dbraw/zinc/72/64/79/374726479.db2.gz DXNQQVNRCCRSIR-HZSPNIEDSA-N 2 0 298.431 -0.508 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009606 374727419 /nfs/dbraw/zinc/72/74/19/374727419.db2.gz WUBYQWGQCKGXJG-QWHCGFSZSA-N 2 0 284.404 -0.754 20 0 CBADRP [NH3+]CCOCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000646061171 374736661 /nfs/dbraw/zinc/73/66/61/374736661.db2.gz OFJSTSBERHHSNW-GFCCVEGCSA-N 2 0 255.362 -0.094 20 0 CBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H]2CC[NH2+]C2)C1(C)C ZINC000646635409 374796591 /nfs/dbraw/zinc/79/65/91/374796591.db2.gz LPCZAFWPOFAKNT-CWSCBRNRSA-N 2 0 255.362 -0.003 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCC[NH2+]1 ZINC000646649836 374799882 /nfs/dbraw/zinc/79/98/82/374799882.db2.gz YLVIYKTXCYYFIZ-QWRGUYRKSA-N 2 0 268.361 -0.887 20 0 CBADRP [NH3+]C1CCC(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000646664643 374801133 /nfs/dbraw/zinc/80/11/33/374801133.db2.gz AXJFJIILLFJITP-HTAVTVPLSA-N 2 0 282.388 -0.369 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000646667623 374802603 /nfs/dbraw/zinc/80/26/03/374802603.db2.gz XLJUJGISMVLPLR-QWRGUYRKSA-N 2 0 282.388 -0.702 20 0 CBADRP CN1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)[C@H](C[NH3+])C1 ZINC000646835439 374821529 /nfs/dbraw/zinc/82/15/29/374821529.db2.gz CSCALOWXYVFNKC-HIFRSBDPSA-N 2 0 288.395 -0.025 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)[C@H](C[NH3+])C1 ZINC000646835440 374822144 /nfs/dbraw/zinc/82/21/44/374822144.db2.gz CSCALOWXYVFNKC-UKRRQHHQSA-N 2 0 288.395 -0.025 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000646844480 374825400 /nfs/dbraw/zinc/82/54/00/374825400.db2.gz VCURCLRQBVMVJO-QJPTWQEYSA-N 2 0 255.362 -0.049 20 0 CBADRP COCC1(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC[NH2+]CC1 ZINC000646843354 374825783 /nfs/dbraw/zinc/82/57/83/374825783.db2.gz IUMIOEWZUDVUSS-NEPJUHHUSA-N 2 0 285.388 -0.423 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)[C@@H](C)C[NH2+]1 ZINC000646298135 374767731 /nfs/dbraw/zinc/76/77/31/374767731.db2.gz DNOQROANWUTBMR-WOPDTQHZSA-N 2 0 292.387 -0.148 20 0 CBADRP C[C@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC[NH2+]1 ZINC000646332395 374770723 /nfs/dbraw/zinc/77/07/23/374770723.db2.gz UFNDNFGQDACWTM-UWVGGRQHSA-N 2 0 263.345 -0.080 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646338927 374771065 /nfs/dbraw/zinc/77/10/65/374771065.db2.gz WQCOCVDJDMMKAS-AAEUAGOBSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646343916 374772208 /nfs/dbraw/zinc/77/22/08/374772208.db2.gz VUTMXCLAWWYTHU-RWMBFGLXSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000646363882 374773610 /nfs/dbraw/zinc/77/36/10/374773610.db2.gz JKRCWFDIXNOKTI-IPYPFGDCSA-N 2 0 278.400 -0.508 20 0 CBADRP [NH3+]C1(CC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCC1 ZINC000646363785 374773780 /nfs/dbraw/zinc/77/37/80/374773780.db2.gz OOWPWUZMKYNTEO-LBPRGKRZSA-N 2 0 266.389 -0.236 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000646363602 374774117 /nfs/dbraw/zinc/77/41/17/374774117.db2.gz KSICZMGRUJPWJE-IUODEOHRSA-N 2 0 294.399 -0.543 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000646385495 374776347 /nfs/dbraw/zinc/77/63/47/374776347.db2.gz SWBJFTYAMAFDOB-UPJWGTAASA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)[NH+](C)C ZINC000646427274 374777666 /nfs/dbraw/zinc/77/76/66/374777666.db2.gz XLCJCPFFEPYMSG-QWRGUYRKSA-N 2 0 280.376 -0.290 20 0 CBADRP CN(C)CC[NH+]1CCC(CNC(=O)COCC[NH3+])CC1 ZINC000646427605 374777906 /nfs/dbraw/zinc/77/79/06/374777906.db2.gz RYOKYCBXZLQXMG-UHFFFAOYSA-N 2 0 286.420 -0.649 20 0 CBADRP [NH3+]Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000646578819 374791161 /nfs/dbraw/zinc/79/11/61/374791161.db2.gz GNLVXNWAKOHFJP-LBPRGKRZSA-N 2 0 276.340 -0.048 20 0 CBADRP COC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1OC ZINC000646600304 374793766 /nfs/dbraw/zinc/79/37/66/374793766.db2.gz IHVAHNZKXYUPAY-QWRGUYRKSA-N 2 0 267.329 -0.215 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000647058081 374876342 /nfs/dbraw/zinc/87/63/42/374876342.db2.gz LVRNELFPPKQFLZ-GUBZILKMSA-N 2 0 281.335 -0.084 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000647058082 374878255 /nfs/dbraw/zinc/87/82/55/374878255.db2.gz LVRNELFPPKQFLZ-UTLUCORTSA-N 2 0 281.335 -0.084 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000647080352 374880614 /nfs/dbraw/zinc/88/06/14/374880614.db2.gz ASOPEWRZZABJKX-UTUOFQBUSA-N 2 0 254.378 -0.606 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000647086623 374883769 /nfs/dbraw/zinc/88/37/69/374883769.db2.gz MUCKEFBJZJIYDN-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000647087923 374884102 /nfs/dbraw/zinc/88/41/02/374884102.db2.gz WVOMFCJUVPPQBO-VXGBXAGGSA-N 2 0 292.387 -0.102 20 0 CBADRP [NH3+][C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000646905189 374837109 /nfs/dbraw/zinc/83/71/09/374837109.db2.gz PDQJBSAVOINNIJ-WDEREUQCSA-N 2 0 268.361 -0.902 20 0 CBADRP C[NH+]1CCC(CNC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000574633701 335035235 /nfs/dbraw/zinc/03/52/35/335035235.db2.gz HXULKIHPRVGHHN-UHFFFAOYSA-N 2 0 280.376 -0.302 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000574634854 335035447 /nfs/dbraw/zinc/03/54/47/335035447.db2.gz GBZMXFZKRJVWIO-DCAQKATOSA-N 2 0 258.366 -0.210 20 0 CBADRP C[C@@]1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCC[NH2+]1 ZINC000574639004 335036227 /nfs/dbraw/zinc/03/62/27/335036227.db2.gz PVDCFUFPYMSRTJ-OCCSQVGLSA-N 2 0 266.389 -0.365 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574639017 335036236 /nfs/dbraw/zinc/03/62/36/335036236.db2.gz QIJIMVJJQRFRKV-FZMZJTMJSA-N 2 0 283.372 -0.131 20 0 CBADRP CN[C@H](C(=O)N[C@@H](C)CN1CCOCC1)c1cnn(C)c1 ZINC000262532626 190057231 /nfs/dbraw/zinc/05/72/31/190057231.db2.gz MFBZLXHDDCPTFB-AAEUAGOBSA-N 2 0 295.387 -0.483 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000424195485 284576048 /nfs/dbraw/zinc/57/60/48/284576048.db2.gz SWBJFTYAMAFDOB-JHJVBQTASA-N 2 0 267.373 -0.177 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000356383586 248241788 /nfs/dbraw/zinc/24/17/88/248241788.db2.gz BVBXREPAGPOEAT-JFGNBEQYSA-N 2 0 270.377 -0.705 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N(C)CC[NH+](C)C)C1 ZINC000356087720 248198265 /nfs/dbraw/zinc/19/82/65/248198265.db2.gz JCTQGMYGVSKNSS-LBPRGKRZSA-N 2 0 272.393 -0.090 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000357242034 248336168 /nfs/dbraw/zinc/33/61/68/248336168.db2.gz LPWGWQGYVVTOMI-GFCCVEGCSA-N 2 0 282.388 -0.652 20 0 CBADRP C[C@@H](CNC(=O)[C@@H](C)C[NH3+])C[NH+]1CCN(C)CC1 ZINC000357240094 248337417 /nfs/dbraw/zinc/33/74/17/248337417.db2.gz JEWBFGBOFLASHH-RYUDHWBXSA-N 2 0 256.394 -0.419 20 0 CBADRP C[C@H](C[NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000357249354 248341071 /nfs/dbraw/zinc/34/10/71/248341071.db2.gz SEMRDJANRNHQFP-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP COC[C@@]1(CNC(=O)c2c[nH+]ccc2N)CCC[NH2+]1 ZINC000357258619 248342383 /nfs/dbraw/zinc/34/23/83/248342383.db2.gz OVGTXJGTEVDQQA-ZDUSSCGKSA-N 2 0 264.329 -0.007 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000357297192 248348529 /nfs/dbraw/zinc/34/85/29/248348529.db2.gz APQBBABTRQAZNC-PRULPYPASA-N 2 0 282.388 -0.643 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000357312089 248350284 /nfs/dbraw/zinc/35/02/84/248350284.db2.gz VJNCFVKZKYWNJM-PRULPYPASA-N 2 0 255.362 -0.132 20 0 CBADRP [NH3+]C[C@H](NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C1CCCCC1 ZINC000369762680 248784598 /nfs/dbraw/zinc/78/45/98/248784598.db2.gz ZCNNIUOFDBKSBG-WOPDTQHZSA-N 2 0 255.362 -0.267 20 0 CBADRP C[NH+](C)C/C=C/C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000265687878 190200320 /nfs/dbraw/zinc/20/03/20/190200320.db2.gz MGGCEUOQRLXIPP-RPTYSRGTSA-N 2 0 282.388 -0.440 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000574661208 335038228 /nfs/dbraw/zinc/03/82/28/335038228.db2.gz OZAHFCWKFSLBAL-DGCLKSJQSA-N 2 0 257.378 -0.243 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000574680997 335039112 /nfs/dbraw/zinc/03/91/12/335039112.db2.gz WPKQHVCGTASUHM-QWHCGFSZSA-N 2 0 283.420 -0.374 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000653125533 412885177 /nfs/dbraw/zinc/88/51/77/412885177.db2.gz CXGXVHHKHRQYHL-NEPJUHHUSA-N 2 0 254.378 -0.382 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653128614 412885438 /nfs/dbraw/zinc/88/54/38/412885438.db2.gz ORMYZWRKOJGASK-ZPFDUUQYSA-N 2 0 253.346 -0.582 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574692562 335040232 /nfs/dbraw/zinc/04/02/32/335040232.db2.gz ZKYKHBANYDQVLX-DZGCQCFKSA-N 2 0 296.415 -0.312 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](N)CC[NH+](C)C ZINC000653128999 412884914 /nfs/dbraw/zinc/88/49/14/412884914.db2.gz JFUMYPXVIYVCOQ-NEPJUHHUSA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@H]1[NH3+] ZINC000347057381 218108535 /nfs/dbraw/zinc/10/85/35/218108535.db2.gz VYUDCKMYQNKYSP-MWLCHTKSSA-N 2 0 266.345 -0.747 20 0 CBADRP Cn1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c(=O)n(C)c1=O ZINC000347081383 218116109 /nfs/dbraw/zinc/11/61/09/218116109.db2.gz YLINYJSURUCLRC-JTQLQIEISA-N 2 0 266.345 -0.745 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NCC[NH+](C)C1CC1 ZINC000347096874 218120178 /nfs/dbraw/zinc/12/01/78/218120178.db2.gz GBBIGWKUWYANDU-UHFFFAOYSA-N 2 0 272.393 -0.306 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000347642546 218302098 /nfs/dbraw/zinc/30/20/98/218302098.db2.gz AVQGHWBJLQZRQO-LBPRGKRZSA-N 2 0 282.388 -0.558 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000574755016 335044889 /nfs/dbraw/zinc/04/48/89/335044889.db2.gz SFXBUUSGDBOCBD-UPJWGTAASA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000574759341 335045555 /nfs/dbraw/zinc/04/55/55/335045555.db2.gz IIJINQXKCWSOFB-OCCSQVGLSA-N 2 0 268.405 -0.119 20 0 CBADRP CC[C@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)CC[N@@H+]1C[C@@H](C)O ZINC000168013583 207397470 /nfs/dbraw/zinc/39/74/70/207397470.db2.gz VMDGDPCTWPSFFT-UPJWGTAASA-N 2 0 269.389 -0.101 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)NCCCC[NH+]1CCOCC1 ZINC000165102194 207397111 /nfs/dbraw/zinc/39/71/11/207397111.db2.gz AYEWFIWXBICZBG-CQSZACIVSA-N 2 0 299.415 -0.016 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000417813559 207565181 /nfs/dbraw/zinc/56/51/81/207565181.db2.gz MKTRBLQIKLOBGV-ZDUSSCGKSA-N 2 0 285.436 -0.079 20 0 CBADRP C[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@@H]1[NH+](C)C ZINC000418675721 207601135 /nfs/dbraw/zinc/60/11/35/207601135.db2.gz SBGIEHCKZJMPNR-GCHJQGSQSA-N 2 0 252.362 -0.204 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000418288558 207575067 /nfs/dbraw/zinc/57/50/67/207575067.db2.gz MPIXUUQDQCJTSE-OLZOCXBDSA-N 2 0 283.420 -0.421 20 0 CBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418751402 207603241 /nfs/dbraw/zinc/60/32/41/207603241.db2.gz AJIHOWAQAANDGU-STQMWFEESA-N 2 0 285.436 -0.095 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH2+]CC2)CCCC1 ZINC000418830939 207610651 /nfs/dbraw/zinc/61/06/51/207610651.db2.gz IRGVFYPKLQBJGM-UHFFFAOYSA-N 2 0 282.388 -0.591 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)CCC[NH2+]C ZINC000418922144 207620692 /nfs/dbraw/zinc/62/06/92/207620692.db2.gz DMGNRJDFSZWWFH-GFCCVEGCSA-N 2 0 286.420 -0.099 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418955461 207624120 /nfs/dbraw/zinc/62/41/20/207624120.db2.gz YFHYKWBURCOJAQ-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000418950087 207624681 /nfs/dbraw/zinc/62/46/81/207624681.db2.gz SGYMTWHHDHETGO-MNOVXSKESA-N 2 0 272.393 -0.362 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419145632 207651784 /nfs/dbraw/zinc/65/17/84/207651784.db2.gz HQUZHFVDEVSIGO-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N(C)CC[NH3+])C1 ZINC000419419462 207690044 /nfs/dbraw/zinc/69/00/44/207690044.db2.gz ZAACHTJPASXEQM-STQMWFEESA-N 2 0 298.431 -0.112 20 0 CBADRP C[C@@H](NC(=O)C(=O)NCCC[NH3+])C(C)(C)C[NH+](C)C ZINC000419547689 207706773 /nfs/dbraw/zinc/70/67/73/207706773.db2.gz QALZZBCRVMJGKB-SNVBAGLBSA-N 2 0 272.393 -0.456 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CCCCC1 ZINC000419824808 207740711 /nfs/dbraw/zinc/74/07/11/207740711.db2.gz QVZQIWBFJBBBPG-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000419550501 207708398 /nfs/dbraw/zinc/70/83/98/207708398.db2.gz UUDPMLJWBFVTCQ-QWRGUYRKSA-N 2 0 284.404 -0.443 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC[NH3+] ZINC000419587611 207712032 /nfs/dbraw/zinc/71/20/32/207712032.db2.gz NPWFPHAJJVTZLQ-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419944404 207764800 /nfs/dbraw/zinc/76/48/00/207764800.db2.gz AQPWLCAXRRNGBK-LBPRGKRZSA-N 2 0 286.420 -0.256 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419958160 207766042 /nfs/dbraw/zinc/76/60/42/207766042.db2.gz PYCVRYYKDSKJEE-LLVKDONJSA-N 2 0 272.393 -0.455 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419896688 207757554 /nfs/dbraw/zinc/75/75/54/207757554.db2.gz UYVAEMUGGFESTA-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419924202 207760859 /nfs/dbraw/zinc/76/08/59/207760859.db2.gz CAIDHROTJMPZJW-LBPRGKRZSA-N 2 0 286.420 -0.242 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)CCC[NH2+]C)C1 ZINC000423061279 207872284 /nfs/dbraw/zinc/87/22/84/207872284.db2.gz QKMGSBKBABNNQN-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C[C@H](C)[NH2+]1 ZINC000423568194 207906817 /nfs/dbraw/zinc/90/68/17/207906817.db2.gz RMLJKZSYLLZMHQ-XQQFMLRXSA-N 2 0 296.415 -0.395 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424082108 207958687 /nfs/dbraw/zinc/95/86/87/207958687.db2.gz VTVMANATALBISB-MNOVXSKESA-N 2 0 280.376 -0.212 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCCN1CC[NH2+]CC1 ZINC000428735684 208100014 /nfs/dbraw/zinc/10/00/14/208100014.db2.gz WXBVJIJBQBWWGL-UHFFFAOYSA-N 2 0 256.394 -0.260 20 0 CBADRP CCC[C@](C)([NH3+])C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428184475 208081709 /nfs/dbraw/zinc/08/17/09/208081709.db2.gz MZEQNGPBQUDUFJ-ZDUSSCGKSA-N 2 0 270.377 -0.606 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000428194030 208081790 /nfs/dbraw/zinc/08/17/90/208081790.db2.gz JAYXNTXPYGOZAJ-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)NC[C@H]2C[NH+](C)CCN2C)CC1 ZINC000428686296 208096596 /nfs/dbraw/zinc/09/65/96/208096596.db2.gz BAVZWASZBNWQCG-AWEZNQCLSA-N 2 0 297.447 -0.031 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000430711406 208174891 /nfs/dbraw/zinc/17/48/91/208174891.db2.gz FHKJAJJXPPNPBL-AAEUAGOBSA-N 2 0 255.362 -0.177 20 0 CBADRP CNS(=O)(=O)CCC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430576400 208165541 /nfs/dbraw/zinc/16/55/41/208165541.db2.gz XFEPQDSMZJFYHY-QWRGUYRKSA-N 2 0 263.407 -0.015 20 0 CBADRP COCC[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000430900714 285074020 /nfs/dbraw/zinc/07/40/20/285074020.db2.gz QSHQNGHXIGOYRY-GFCCVEGCSA-N 2 0 255.362 -0.083 20 0 CBADRP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000430600131 208166422 /nfs/dbraw/zinc/16/64/22/208166422.db2.gz AEDGCDYMOBBQPQ-JTQLQIEISA-N 2 0 286.376 -0.482 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000430718315 208175059 /nfs/dbraw/zinc/17/50/59/208175059.db2.gz BVVFDUBYIZOBMN-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[NH2+]CC1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000430584067 208167301 /nfs/dbraw/zinc/16/73/01/208167301.db2.gz NXJJTBUXMSRBHK-UHFFFAOYSA-N 2 0 263.407 -0.143 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2CC[C@@H]([NH2+]C)C2)CC1 ZINC000430631021 208167805 /nfs/dbraw/zinc/16/78/05/208167805.db2.gz ZNOZIOAIXJDTLP-CYBMUJFWSA-N 2 0 268.405 -0.119 20 0 CBADRP O=C(NCCCC[NH+]1CCOCC1)[C@H]1C[NH2+]CCO1 ZINC000430713429 208175676 /nfs/dbraw/zinc/17/56/76/208175676.db2.gz HGWUIVFDYZRLRN-GFCCVEGCSA-N 2 0 271.361 -0.797 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000430715069 208176155 /nfs/dbraw/zinc/17/61/55/208176155.db2.gz RBCSODCTBFYEOB-UHFFFAOYSA-N 2 0 297.399 -0.454 20 0 CBADRP COCC[NH2+]CC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000431021656 285076361 /nfs/dbraw/zinc/07/63/61/285076361.db2.gz AGNXDWPZYJVVID-JQWIXIFHSA-N 2 0 255.362 -0.179 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000430754101 208179136 /nfs/dbraw/zinc/17/91/36/208179136.db2.gz LJKBXKCBPAKAAS-UHFFFAOYSA-N 2 0 297.399 -0.454 20 0 CBADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)COC1C[NH2+]C1 ZINC000430768189 208180303 /nfs/dbraw/zinc/18/03/03/208180303.db2.gz ZYPMESDYXGNBKT-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP CC(C)([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000430785536 208180817 /nfs/dbraw/zinc/18/08/17/208180817.db2.gz WQCLDEDKHSHVHR-NSHDSACASA-N 2 0 255.362 -0.096 20 0 CBADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)COC1C[NH2+]C1 ZINC000430768188 208181202 /nfs/dbraw/zinc/18/12/02/208181202.db2.gz ZYPMESDYXGNBKT-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)COC1C[NH2+]C1 ZINC000430805719 208184530 /nfs/dbraw/zinc/18/45/30/208184530.db2.gz ATMXOOIDCLIQJW-UHFFFAOYSA-N 2 0 259.350 -0.941 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000430882002 208185989 /nfs/dbraw/zinc/18/59/89/208185989.db2.gz GPMNSBZPRSMNHM-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1(C[NH3+])CCCC1 ZINC000430890081 208186391 /nfs/dbraw/zinc/18/63/91/208186391.db2.gz OYLURSJKTQKZFN-GFCCVEGCSA-N 2 0 296.415 -0.039 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000430891753 208187223 /nfs/dbraw/zinc/18/72/23/208187223.db2.gz WZVJEGFBPVXTEU-NEPJUHHUSA-N 2 0 284.404 -0.455 20 0 CBADRP C[NH2+]CCCC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000430892937 208188303 /nfs/dbraw/zinc/18/83/03/208188303.db2.gz HCSDIRWQGAHWPM-GFCCVEGCSA-N 2 0 284.404 -0.310 20 0 CBADRP CC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000430901677 208191146 /nfs/dbraw/zinc/19/11/46/208191146.db2.gz VYJCMQDOBHGGCF-VHSXEESVSA-N 2 0 256.350 -0.820 20 0 CBADRP CC[C@H]([NH3+])C(=O)NCCCN1CC[NH+](CC)CC1 ZINC000431003642 208194534 /nfs/dbraw/zinc/19/45/34/208194534.db2.gz GZCHQXXQXYVZAG-LBPRGKRZSA-N 2 0 256.394 -0.133 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000431005866 208195349 /nfs/dbraw/zinc/19/53/49/208195349.db2.gz PCDGUXCGFWPAHX-KBPBESRZSA-N 2 0 297.399 -0.454 20 0 CBADRP C[C@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)N1CC[NH+](C)CC1 ZINC000431003945 208196064 /nfs/dbraw/zinc/19/60/64/208196064.db2.gz DQVROBSCNDSKGS-KGLIPLIRSA-N 2 0 298.431 -0.493 20 0 CBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C[NH3+])CC1 ZINC000431008889 208198472 /nfs/dbraw/zinc/19/84/72/208198472.db2.gz UJCURXQKXJIRHW-UHFFFAOYSA-N 2 0 284.404 -0.312 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000431007973 208198895 /nfs/dbraw/zinc/19/88/95/208198895.db2.gz WZKOTVQKYJKXDZ-CHWSQXEVSA-N 2 0 270.421 -0.031 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)COC1C[NH2+]C1 ZINC000431011243 208200224 /nfs/dbraw/zinc/20/02/24/208200224.db2.gz CKFPKTUMKPRUNA-LLVKDONJSA-N 2 0 273.377 -0.552 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C2([NH3+])CC2)CC1 ZINC000431025027 208200382 /nfs/dbraw/zinc/20/03/82/208200382.db2.gz XFHUWNXGDLPPTG-NSHDSACASA-N 2 0 254.378 -0.380 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000431015663 208200395 /nfs/dbraw/zinc/20/03/95/208200395.db2.gz PZGVCBMTRJMWBJ-OLZOCXBDSA-N 2 0 268.405 -0.404 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000431058629 208200797 /nfs/dbraw/zinc/20/07/97/208200797.db2.gz UEBIZGJFMQYPQP-GFCCVEGCSA-N 2 0 271.361 -0.798 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000431027771 208201689 /nfs/dbraw/zinc/20/16/89/208201689.db2.gz KVVFKDTYXCBGLH-UONOGXRCSA-N 2 0 298.431 -0.493 20 0 CBADRP C[NH+](C)[C@@]1(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CCSC1 ZINC000432518856 208225612 /nfs/dbraw/zinc/22/56/12/208225612.db2.gz LPBAGFVWOHHGKF-HOSYDEDBSA-N 2 0 273.402 -0.737 20 0 CBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000432543249 208227857 /nfs/dbraw/zinc/22/78/57/208227857.db2.gz ZIYYYVWMOKTMAR-FRRDWIJNSA-N 2 0 269.389 -0.101 20 0 CBADRP CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000433169425 208238694 /nfs/dbraw/zinc/23/86/94/208238694.db2.gz RNFWQHAZBJLRFA-CHWSQXEVSA-N 2 0 270.421 -0.031 20 0 CBADRP CCCNC(=O)CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433129459 208239151 /nfs/dbraw/zinc/23/91/51/208239151.db2.gz ZNZFVEQNXHFJPO-UHFFFAOYSA-N 2 0 284.404 -0.168 20 0 CBADRP CC(C)[C@H](C[NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000433134311 208240532 /nfs/dbraw/zinc/24/05/32/208240532.db2.gz GNXBUBXXEXLECH-RYUDHWBXSA-N 2 0 284.404 -0.327 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000434876556 208272993 /nfs/dbraw/zinc/27/29/93/208272993.db2.gz YSHDDNPTTGHEMC-NWDGAFQWSA-N 2 0 287.429 -0.082 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)CC1 ZINC000434699988 208265547 /nfs/dbraw/zinc/26/55/47/208265547.db2.gz PVIMNSNIEYJDNS-OLZOCXBDSA-N 2 0 268.405 -0.167 20 0 CBADRP CC[N@H+](C)CCNC(=O)NCC[NH+]1CCCOCC1 ZINC000436508216 208294730 /nfs/dbraw/zinc/29/47/30/208294730.db2.gz CQLLSVOTAFOUIS-UHFFFAOYSA-N 2 0 272.393 -0.040 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CC[NH3+])CC1 ZINC000574807821 335048680 /nfs/dbraw/zinc/04/86/80/335048680.db2.gz BORLHWGNYQPMCP-CYBMUJFWSA-N 2 0 268.405 -0.036 20 0 CBADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000443059070 208378501 /nfs/dbraw/zinc/37/85/01/208378501.db2.gz LXSVJLGKTUTRCR-ZDUSSCGKSA-N 2 0 296.415 -0.214 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449526068 208500570 /nfs/dbraw/zinc/50/05/70/208500570.db2.gz YHTMDCLLFYHVNM-DUVNUKRYSA-N 2 0 289.379 -0.386 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N[C@H](C)C[NH3+])CC1=O ZINC000470478329 285284315 /nfs/dbraw/zinc/28/43/15/285284315.db2.gz UVXSUNUSQHYTGD-AGIUHOORSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[NH+]1CCN(CC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000435239119 285312337 /nfs/dbraw/zinc/31/23/37/285312337.db2.gz IUQHTAHBTYULET-AWEZNQCLSA-N 2 0 280.416 -0.023 20 0 CBADRP CNC(=O)NC(=O)[C@@H](C)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000575046900 335058784 /nfs/dbraw/zinc/05/87/84/335058784.db2.gz UZPAWJRIZNJECS-MNOVXSKESA-N 2 0 298.387 -0.482 20 0 CBADRP [NH3+]CC[C@H](NC(=O)CCOC1C[NH2+]C1)C(F)(F)F ZINC000575052862 335059756 /nfs/dbraw/zinc/05/97/56/335059756.db2.gz PBUOZMMZBLWMRB-QMMMGPOBSA-N 2 0 269.267 -0.239 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000521041549 260031513 /nfs/dbraw/zinc/03/15/13/260031513.db2.gz PNRFPIQGYPCGNH-NWDGAFQWSA-N 2 0 282.388 -0.558 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C[NH3+])OC)CC1 ZINC000353450543 285333245 /nfs/dbraw/zinc/33/32/45/285333245.db2.gz OMTBQCAJGUNOBV-RYUDHWBXSA-N 2 0 272.393 -0.898 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C[NH3+])OC)CC1 ZINC000353450540 285335061 /nfs/dbraw/zinc/33/50/61/285335061.db2.gz OMTBQCAJGUNOBV-NEPJUHHUSA-N 2 0 272.393 -0.898 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000376696778 285335073 /nfs/dbraw/zinc/33/50/73/285335073.db2.gz ZITNKTPHUQCFES-OCCSQVGLSA-N 2 0 286.395 -0.170 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](C[NH3+])OC)CC1 ZINC000353450545 285335353 /nfs/dbraw/zinc/33/53/53/285335353.db2.gz OMTBQCAJGUNOBV-VXGBXAGGSA-N 2 0 272.393 -0.898 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000355296535 533569168 /nfs/dbraw/zinc/56/91/68/533569168.db2.gz HQLXETUQEXAQQH-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP COC1(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC[NH2+]CC1 ZINC000157961796 292097524 /nfs/dbraw/zinc/09/75/24/292097524.db2.gz NWXIZARESCVYTR-MNOVXSKESA-N 2 0 255.362 -0.001 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343288694 289127095 /nfs/dbraw/zinc/12/70/95/289127095.db2.gz RFWVUHYNOAJRKI-UHFFFAOYSA-N 2 0 270.377 -0.783 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000417851653 296585271 /nfs/dbraw/zinc/58/52/71/296585271.db2.gz NIHITJACCBVEHJ-MGPQQGTHSA-N 2 0 280.416 -0.119 20 0 CBADRP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351472533 289238819 /nfs/dbraw/zinc/23/88/19/289238819.db2.gz AZYYYOCPVWFPGH-SRVKXCTJSA-N 2 0 275.418 -0.063 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000348986568 289290806 /nfs/dbraw/zinc/29/08/06/289290806.db2.gz BXXTUQOERXQBBM-LLVKDONJSA-N 2 0 255.362 -0.083 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417745825 292335769 /nfs/dbraw/zinc/33/57/69/292335769.db2.gz FSRRGTQTMIYHOR-OLZOCXBDSA-N 2 0 284.404 -0.042 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000178811494 292338191 /nfs/dbraw/zinc/33/81/91/292338191.db2.gz NYHVZCQROLFBCV-LBPRGKRZSA-N 2 0 261.341 -0.228 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444186156 292350084 /nfs/dbraw/zinc/35/00/84/292350084.db2.gz RHKXDVBSTPDAHM-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419138713 289540406 /nfs/dbraw/zinc/54/04/06/289540406.db2.gz REJQAUJTPRCWKK-WOPDTQHZSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357089216 286769229 /nfs/dbraw/zinc/76/92/29/286769229.db2.gz YQGQLPKPFUPHFR-GXSJLCMTSA-N 2 0 268.361 -0.109 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)C[NH+]1CCCCC1 ZINC000038042283 289678461 /nfs/dbraw/zinc/67/84/61/289678461.db2.gz GXLYNRXQEJTCHI-AGIUHOORSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)NC[C@H]2COCC[NH2+]2)n1 ZINC000528679599 409647668 /nfs/dbraw/zinc/64/76/68/409647668.db2.gz YYNIZLRAZNHCIE-NSHDSACASA-N 2 0 296.375 -0.445 20 0 CBADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000178199333 287086334 /nfs/dbraw/zinc/08/63/34/287086334.db2.gz KZRSLRSXDMKSQD-DGCLKSJQSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+](C)C1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000036192921 411624568 /nfs/dbraw/zinc/62/45/68/411624568.db2.gz NBHYAPWQWYZDTF-UHFFFAOYSA-N 2 0 254.378 -0.556 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)CN1CC[NH2+]CC1 ZINC000020521168 171234381 /nfs/dbraw/zinc/23/43/81/171234381.db2.gz XYRSSVFIINTJEC-UHFFFAOYSA-N 2 0 256.394 -0.404 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)n1 ZINC000662750471 413992482 /nfs/dbraw/zinc/99/24/82/413992482.db2.gz SOZQIRJSJYQNOG-QWRGUYRKSA-N 2 0 291.355 -0.212 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)n1 ZINC000662750470 413994105 /nfs/dbraw/zinc/99/41/05/413994105.db2.gz SOZQIRJSJYQNOG-MNOVXSKESA-N 2 0 291.355 -0.212 20 0 CBADRP C[C@@H]([NH3+])C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900537 414060912 /nfs/dbraw/zinc/06/09/12/414060912.db2.gz NCRGZCODKNMEOJ-YPMHNXCESA-N 2 0 268.405 -0.040 20 0 CBADRP C[C@H]([NH3+])C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900534 414061889 /nfs/dbraw/zinc/06/18/89/414061889.db2.gz NCRGZCODKNMEOJ-AAEUAGOBSA-N 2 0 268.405 -0.040 20 0 CBADRP CN(C(=O)CC[NH3+])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662901344 414059002 /nfs/dbraw/zinc/05/90/02/414059002.db2.gz VOUNVZDXUSPTTH-ZDUSSCGKSA-N 2 0 268.405 -0.038 20 0 CBADRP C[C@@H](CNC(=O)CNC(=O)C[NH3+])C[NH+]1CCCCC1 ZINC000038042260 174045128 /nfs/dbraw/zinc/04/51/28/174045128.db2.gz YOJVHOWJXXKWNG-NSHDSACASA-N 2 0 270.377 -0.701 20 0 CBADRP C[C@H](CNC(=O)CNC(=O)C[NH3+])C[NH+]1CCCCC1 ZINC000038042261 174045207 /nfs/dbraw/zinc/04/52/07/174045207.db2.gz YOJVHOWJXXKWNG-LLVKDONJSA-N 2 0 270.377 -0.701 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043708250 175100675 /nfs/dbraw/zinc/10/06/75/175100675.db2.gz FMNWYLJDLHLOEU-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000043709230 175102539 /nfs/dbraw/zinc/10/25/39/175102539.db2.gz DNSGQYWHXRDMLB-JQWIXIFHSA-N 2 0 253.346 -0.425 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000043799066 175106305 /nfs/dbraw/zinc/10/63/05/175106305.db2.gz ZQPUKKOOISMLME-CQSZACIVSA-N 2 0 297.399 -0.454 20 0 CBADRP CC1CC[NH+](CCNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000043800556 175106478 /nfs/dbraw/zinc/10/64/78/175106478.db2.gz QRACFSJSBZSULL-GFCCVEGCSA-N 2 0 255.362 -0.177 20 0 CBADRP CC[N@H+](C)CCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000071221255 176087305 /nfs/dbraw/zinc/08/73/05/176087305.db2.gz IBWNIAJSUWHODG-UHFFFAOYSA-N 2 0 280.376 -0.116 20 0 CBADRP C[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000354694755 227074320 /nfs/dbraw/zinc/07/43/20/227074320.db2.gz QTPKLFYMSIERBI-YPMHNXCESA-N 2 0 296.415 -0.156 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000355903085 228043388 /nfs/dbraw/zinc/04/33/88/228043388.db2.gz SLHISIUAAORWJJ-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000367159391 228151248 /nfs/dbraw/zinc/15/12/48/228151248.db2.gz NMSUFAOIPLWJSW-CQSZACIVSA-N 2 0 298.431 -0.539 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000089698821 544436200 /nfs/dbraw/zinc/43/62/00/544436200.db2.gz IUWCQQGJFSQLMI-NSHDSACASA-N 2 0 280.376 -0.159 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)c1cn(CC[NH3+])nn1 ZINC000089699784 544436999 /nfs/dbraw/zinc/43/69/99/544436999.db2.gz QNSHZUKUQRQCMP-UHFFFAOYSA-N 2 0 282.392 -0.103 20 0 CBADRP C[N@H+](CCNC(=O)c1cn(CC[NH3+])nn1)C1CC1 ZINC000089709109 544437661 /nfs/dbraw/zinc/43/76/61/544437661.db2.gz LTWFMAFNMNWEON-UHFFFAOYSA-N 2 0 252.322 -0.939 20 0 CBADRP CC(C)[N@H+](C)CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000089701034 544437704 /nfs/dbraw/zinc/43/77/04/544437704.db2.gz SFGLZMOVHHPJIX-UHFFFAOYSA-N 2 0 254.338 -0.693 20 0 CBADRP C[N@H+](CCNC(=O)c1cn(CC[NH3+])nn1)C1CCCC1 ZINC000089709187 544438274 /nfs/dbraw/zinc/43/82/74/544438274.db2.gz PXIHCKUBVXMDHD-UHFFFAOYSA-N 2 0 280.376 -0.159 20 0 CBADRP C[N@H+](CCC[NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093695939 544444072 /nfs/dbraw/zinc/44/40/72/544444072.db2.gz XCZRBJPUVQYBDQ-NSHDSACASA-N 2 0 263.407 -0.061 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)COC2(C)C[NH2+]C2)CC[N@@H+]1C ZINC000098061764 544446764 /nfs/dbraw/zinc/44/67/64/544446764.db2.gz CIMVPKGJBVRQDZ-GHMZBOCLSA-N 2 0 255.362 -0.036 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000098061614 544446843 /nfs/dbraw/zinc/44/68/43/544446843.db2.gz CXOUBFLRILZNTC-UHFFFAOYSA-N 2 0 255.362 -0.083 20 0 CBADRP CC1(OCC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[NH2+]C1 ZINC000098061720 544446942 /nfs/dbraw/zinc/44/69/42/544446942.db2.gz IUOBBOLKZMLANT-SNVBAGLBSA-N 2 0 253.346 -0.282 20 0 CBADRP CC1(OCC(=O)N2CC[NH+](CC3CC3)CC2)C[NH2+]C1 ZINC000098061675 544447019 /nfs/dbraw/zinc/44/70/19/544447019.db2.gz ZWBLRUAOEABWDD-UHFFFAOYSA-N 2 0 267.373 -0.081 20 0 CBADRP CC1(OCC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[NH2+]C1 ZINC000098061665 544447058 /nfs/dbraw/zinc/44/70/58/544447058.db2.gz CZFFAIIPLVWYIX-LLVKDONJSA-N 2 0 267.373 -0.035 20 0 CBADRP OC[C@H]1CCC[NH+]1CC1(C[N@H+]2CCC[C@@H]2CO)COC1 ZINC000119393765 544449770 /nfs/dbraw/zinc/44/97/70/544449770.db2.gz FFJVNPDOYHSXSC-ZIAGYGMSSA-N 2 0 284.400 -0.084 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000226078909 544493098 /nfs/dbraw/zinc/49/30/98/544493098.db2.gz QKWAJJAMWRJGNO-VIFPVBQESA-N 2 0 252.322 -0.939 20 0 CBADRP CNC(=O)CC[NH+](C)[C@@H](C)CC[N@@H+](C)CCC(=O)NC ZINC000178301831 544481594 /nfs/dbraw/zinc/48/15/94/544481594.db2.gz DBMGAYOLYAQFOL-LBPRGKRZSA-N 2 0 286.420 -0.099 20 0 CBADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333497391 544544511 /nfs/dbraw/zinc/54/45/11/544544511.db2.gz FBOKMVLTIQDNQE-WYUUTHIRSA-N 2 0 252.362 -0.012 20 0 CBADRP C[C@@]1(C(N)=O)CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000235433302 544505746 /nfs/dbraw/zinc/50/57/46/544505746.db2.gz ASSBZRLEVKEBHP-CYBMUJFWSA-N 2 0 268.361 -0.994 20 0 CBADRP CS(=O)(=O)N1CCC[C@H](C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000250949301 544513819 /nfs/dbraw/zinc/51/38/19/544513819.db2.gz NTMGLOURUDCASX-JHJVBQTASA-N 2 0 287.429 -0.191 20 0 CBADRP C[NH+](C)CCNC(=O)c1ccc(C(=O)NCC[NH+](C)C)o1 ZINC000269697487 544523378 /nfs/dbraw/zinc/52/33/78/544523378.db2.gz LFKHLCAJOOWPKK-UHFFFAOYSA-N 2 0 296.371 -0.138 20 0 CBADRP CC(=O)N[C@H]1CCN(C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000310909187 544529606 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ZINC000052062720 419453485 /nfs/dbraw/zinc/45/34/85/419453485.db2.gz FDOUDASURLKKHF-UHFFFAOYSA-N 2 0 280.416 -0.022 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000062972740 419459377 /nfs/dbraw/zinc/45/93/77/419459377.db2.gz BUYHHNBXYKZNKM-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP CN1CCN(C(=O)CC[N@@H+]2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC000661720097 419522380 /nfs/dbraw/zinc/52/23/80/419522380.db2.gz CIXPXCRBAWDKKR-GXTWGEPZSA-N 2 0 267.373 -0.393 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)CCC2C[NH2+]C2)n1 ZINC000638090788 419527568 /nfs/dbraw/zinc/52/75/68/419527568.db2.gz YULKELYWBLNQNF-UHFFFAOYSA-N 2 0 265.361 0.383 20 0 CBADRP CCOCCOCCN(C)CC(=O)N1CCN(C)CC1 ZINC000190255990 419534620 /nfs/dbraw/zinc/53/46/20/419534620.db2.gz UFOSBKPMQXJDPF-UHFFFAOYSA-N 2 0 287.404 -0.255 20 0 CBADRP Cn1ccnc1[C@@H]1C[NH2+]CCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662274300 419568051 /nfs/dbraw/zinc/56/80/51/419568051.db2.gz UPMPNHAJVSQHCI-OLZOCXBDSA-N 2 0 291.399 -0.113 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000389613264 544577068 /nfs/dbraw/zinc/57/70/68/544577068.db2.gz YNRUBYQIPSTECZ-AAEUAGOBSA-N 2 0 284.404 -0.314 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)COC2(C)C[NH2+]C2)C1 ZINC000389727772 544577150 /nfs/dbraw/zinc/57/71/50/544577150.db2.gz LKOSNEZIHUGZCT-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C([C@@H]1CCC[N@H+](C[C@@H]2CNCCO2)C1)N1CC[NH2+]CC1 ZINC000662243511 419556903 /nfs/dbraw/zinc/55/69/03/419556903.db2.gz MKUZDCKRDNITRL-KGLIPLIRSA-N 2 0 296.415 -0.881 20 0 CBADRP COC[C@@H](C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)OC ZINC000662243680 419557484 /nfs/dbraw/zinc/55/74/84/419557484.db2.gz OJDJNDDMZFCDFT-NWDGAFQWSA-N 2 0 273.377 -0.565 20 0 CBADRP COC[C@H](C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)OC ZINC000662243681 419560051 /nfs/dbraw/zinc/56/00/51/419560051.db2.gz OJDJNDDMZFCDFT-RYUDHWBXSA-N 2 0 273.377 -0.565 20 0 CBADRP [NH3+]CCCOC1CC[NH+](C[C@H]2CNCCO2)CC1 ZINC000662247675 419562848 /nfs/dbraw/zinc/56/28/48/419562848.db2.gz JAMURTLVLKQPIB-CYBMUJFWSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662248232 419562997 /nfs/dbraw/zinc/56/29/97/419562997.db2.gz WPESHRYVEGPZBO-SRVKXCTJSA-N 2 0 255.362 -0.445 20 0 CBADRP CCN1CC[C@H]([N@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000662247734 419563134 /nfs/dbraw/zinc/56/31/34/419563134.db2.gz ZNPMNZWUQCKQBU-LBPRGKRZSA-N 2 0 254.378 -0.556 20 0 CBADRP C[C@H](CNC(=O)CN1CC[NH2+]CC1)[N@H+](C)C1CC1 ZINC000219963185 419565007 /nfs/dbraw/zinc/56/50/07/419565007.db2.gz FAQDHVRYAPXYRM-LLVKDONJSA-N 2 0 254.378 -0.510 20 0 CBADRP CC[C@@H]1CN(C[C@@H]2C[NH2+]CCO2)CC[N@@H+]1C[C@@H](C)O ZINC000662262178 419566446 /nfs/dbraw/zinc/56/64/46/419566446.db2.gz SDDQMDWTOCGLDW-MCIONIFRSA-N 2 0 271.405 -0.248 20 0 CBADRP COC[C@](C)(CCO)[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662259190 419567287 /nfs/dbraw/zinc/56/72/87/419567287.db2.gz RNJCSCNMDSJBIC-RYUDHWBXSA-N 2 0 258.362 -0.116 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394373606 544579550 /nfs/dbraw/zinc/57/95/50/544579550.db2.gz NCNOTEVDJZJDAN-OLZOCXBDSA-N 2 0 268.405 -0.134 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cn(CC[NH3+])nn1 ZINC000662536336 419632892 /nfs/dbraw/zinc/63/28/92/419632892.db2.gz KUKUVLXELHRXHX-NSHDSACASA-N 2 0 298.391 -0.677 20 0 CBADRP CN1CCC[C@H]([N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1=O ZINC000662277528 419572260 /nfs/dbraw/zinc/57/22/60/419572260.db2.gz VODMYMPWKOBIHS-STQMWFEESA-N 2 0 266.389 -0.413 20 0 CBADRP COC1(CO)CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662284943 419573063 /nfs/dbraw/zinc/57/30/63/419573063.db2.gz RWRCZIDEFJARNW-GFCCVEGCSA-N 2 0 270.373 -0.019 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNc1nc(N)[nH+]c2c1CCCC2 ZINC000645167083 419573451 /nfs/dbraw/zinc/57/34/51/419573451.db2.gz JKYKOJOFQISHIV-LLVKDONJSA-N 2 0 290.415 0.017 20 0 CBADRP Cn1cc(C[N@@H+]2CCCN(C[C@@H]3C[NH2+]CCO3)CC2)cn1 ZINC000662277828 419573569 /nfs/dbraw/zinc/57/35/69/419573569.db2.gz UNCOLOIQRJXODP-HNNXBMFYSA-N 2 0 293.415 -0.084 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CCC[NH2+]C1 ZINC000394381769 544580604 /nfs/dbraw/zinc/58/06/04/544580604.db2.gz SWLUYRFYIOUCHI-ZFWWWQNUSA-N 2 0 280.416 -0.118 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]C)CC1 ZINC000236870498 419574209 /nfs/dbraw/zinc/57/42/09/419574209.db2.gz PFGVWLKXAGLURY-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000236881570 419574768 /nfs/dbraw/zinc/57/47/68/419574768.db2.gz PDVZSXWGZRZNBI-AWEZNQCLSA-N 2 0 268.405 -0.260 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394390380 544580944 /nfs/dbraw/zinc/58/09/44/544580944.db2.gz XMXYEBVEQVLIPX-YNEHKIRRSA-N 2 0 266.389 -0.510 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000237028056 419576820 /nfs/dbraw/zinc/57/68/20/419576820.db2.gz GPMNSBZPRSMNHM-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237084959 419577219 /nfs/dbraw/zinc/57/72/19/419577219.db2.gz VXDJXGBUGGQLBO-KGLIPLIRSA-N 2 0 299.415 -0.018 20 0 CBADRP COCC[NH2+]C1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662286532 419577190 /nfs/dbraw/zinc/57/71/90/419577190.db2.gz QAVGZNMTNRCGAI-ZDUSSCGKSA-N 2 0 257.378 -0.325 20 0 CBADRP O=C(CC[NH2+]C1CC1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394381061 544581174 /nfs/dbraw/zinc/58/11/74/544581174.db2.gz CGANALFYTLGEQB-CYBMUJFWSA-N 2 0 266.389 -0.365 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000662296612 419579912 /nfs/dbraw/zinc/57/99/12/419579912.db2.gz TZDMDVMBHVIXHM-VXGBXAGGSA-N 2 0 253.350 -0.430 20 0 CBADRP COc1ccc([C@@H](C[NH3+])CN(CC[NH3+])C[C@@H](O)CO)cc1 ZINC000662289174 419581449 /nfs/dbraw/zinc/58/14/49/419581449.db2.gz WYMMFMUHEDMJEG-UONOGXRCSA-N 2 0 297.399 -0.649 20 0 CBADRP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1COCCO1 ZINC000662307485 419583637 /nfs/dbraw/zinc/58/36/37/419583637.db2.gz WHEJRIXLYJEADP-NWDGAFQWSA-N 2 0 256.346 -0.145 20 0 CBADRP C[NH2+]C[C@](C)(O)CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662327805 419584531 /nfs/dbraw/zinc/58/45/31/419584531.db2.gz VRTSDECCGZIKGY-KBPBESRZSA-N 2 0 273.421 -0.001 20 0 CBADRP [NH3+]CCN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338949 419590354 /nfs/dbraw/zinc/59/03/54/419590354.db2.gz XOBFITXDKTWFBS-GFCCVEGCSA-N 2 0 278.404 -0.043 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058022 419590560 /nfs/dbraw/zinc/59/05/60/419590560.db2.gz IYJRZEHTUCMYIM-DCAQKATOSA-N 2 0 286.351 -0.939 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@@H](CN2CCC[C@@H]([NH3+])C2)C1 ZINC000647482260 419591617 /nfs/dbraw/zinc/59/16/17/419591617.db2.gz RFXWWTOYCUAWOB-NWDGAFQWSA-N 2 0 254.378 -0.393 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)NCCCC[NH+]1CCOCC1 ZINC000662386400 419591572 /nfs/dbraw/zinc/59/15/72/419591572.db2.gz HKKTWRSEXUMQTK-ZDUSSCGKSA-N 2 0 287.404 -0.033 20 0 CBADRP CC[C@@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@@H]1[NH3+] ZINC000647498694 419593784 /nfs/dbraw/zinc/59/37/84/419593784.db2.gz NHNURCYSRAADGS-PWSUYJOCSA-N 2 0 280.372 -0.357 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CCO[C@H]1C[NH3+])[C@H]1CCC[NH2+]C1 ZINC000662403603 419594563 /nfs/dbraw/zinc/59/45/63/419594563.db2.gz NGQIJVHJNOLWLZ-YFKTTZPYSA-N 2 0 255.362 -0.146 20 0 CBADRP [NH3+]C1(CC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000662402083 419596211 /nfs/dbraw/zinc/59/62/11/419596211.db2.gz WHXAQPWLXMZSMU-LBPRGKRZSA-N 2 0 294.399 -0.462 20 0 CBADRP CC(C)([NH3+])c1cc(C(=O)NCCN2CC[NH2+]CC2)on1 ZINC000662400319 419596661 /nfs/dbraw/zinc/59/66/61/419596661.db2.gz RKTOVFQDFWVIBV-UHFFFAOYSA-N 2 0 281.360 -0.497 20 0 CBADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262107327 419599710 /nfs/dbraw/zinc/59/97/10/419599710.db2.gz JWUPILCIDSPTCO-AWEZNQCLSA-N 3 0 252.406 -0.035 20 0 CBADRP CC[NH2+]CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662408829 419600348 /nfs/dbraw/zinc/60/03/48/419600348.db2.gz BDAYXVOCHLZYQL-NSHDSACASA-N 2 0 280.376 -0.068 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000647723898 419640039 /nfs/dbraw/zinc/64/00/39/419640039.db2.gz AAUYWHAIBDONAN-WZRBSPASSA-N 2 0 284.404 -0.410 20 0 CBADRP COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000401791256 544586000 /nfs/dbraw/zinc/58/60/00/544586000.db2.gz HDLFYFMHVKCOCM-KGLIPLIRSA-N 2 0 290.404 -0.601 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)C1CCC1 ZINC000399074258 544583916 /nfs/dbraw/zinc/58/39/16/544583916.db2.gz OUSZZTOXHXDZNO-STQMWFEESA-N 2 0 266.389 -0.380 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](CN2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000647534021 419603275 /nfs/dbraw/zinc/60/32/75/419603275.db2.gz DREBDJNWPWKAAV-HZSPNIEDSA-N 2 0 280.416 -0.133 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000662426621 419604069 /nfs/dbraw/zinc/60/40/69/419604069.db2.gz WTZNZTACMBEMOF-DTWKUNHWSA-N 2 0 279.348 -0.720 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@@H](CN2CC[NH2+]C[C@H]2C(F)F)C1 ZINC000647541871 419605617 /nfs/dbraw/zinc/60/56/17/419605617.db2.gz ZNVIYZMXYUGNRP-QWRGUYRKSA-N 2 0 290.358 -0.277 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)C1CCC1 ZINC000399074256 544584344 /nfs/dbraw/zinc/58/43/44/544584344.db2.gz OUSZZTOXHXDZNO-OLZOCXBDSA-N 2 0 266.389 -0.380 20 0 CBADRP C(CN1CC[NH2+]CC1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647547046 419607942 /nfs/dbraw/zinc/60/79/42/419607942.db2.gz LXSKWNUVCPFIKK-MELADBBJSA-N 3 0 252.406 -0.131 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000647542307 419608301 /nfs/dbraw/zinc/60/83/01/419608301.db2.gz OGUBTHNPDAYHLJ-MCIONIFRSA-N 3 0 280.416 -0.133 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000662464078 419612985 /nfs/dbraw/zinc/61/29/85/419612985.db2.gz KQKIZMGZLNZFHI-RYUDHWBXSA-N 2 0 256.394 -0.264 20 0 CBADRP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000662463423 419613177 /nfs/dbraw/zinc/61/31/77/419613177.db2.gz WPNCSSYFMUESMC-AWEZNQCLSA-N 2 0 298.431 -0.493 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000662464077 419614738 /nfs/dbraw/zinc/61/47/38/419614738.db2.gz KQKIZMGZLNZFHI-NWDGAFQWSA-N 2 0 256.394 -0.264 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])COC(C)C)CC1 ZINC000662473390 419615923 /nfs/dbraw/zinc/61/59/23/419615923.db2.gz INMILKWJXVVAJB-ZDUSSCGKSA-N 2 0 287.404 -0.081 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000662476254 419618272 /nfs/dbraw/zinc/61/82/72/419618272.db2.gz LAPMIETXTNSDHB-KGLIPLIRSA-N 2 0 299.415 -0.081 20 0 CBADRP Cn1cc(CC[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cn1 ZINC000311339330 419620135 /nfs/dbraw/zinc/62/01/35/419620135.db2.gz HMYKHNGQVIPIGM-AWEZNQCLSA-N 2 0 263.389 -0.058 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000647594968 419620575 /nfs/dbraw/zinc/62/05/75/419620575.db2.gz CEGVUJWUNCKBDS-WUHRBBMRSA-N 2 0 296.415 -0.029 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@@H]([NH3+])COC(C)C)CC1 ZINC000662492183 419621465 /nfs/dbraw/zinc/62/14/65/419621465.db2.gz FPBMDTMNGOBUKO-ZDUSSCGKSA-N 2 0 287.404 -0.034 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000662491519 419621613 /nfs/dbraw/zinc/62/16/13/419621613.db2.gz JQJQTAGBTRKIMH-KBPBESRZSA-N 2 0 299.415 -0.081 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000662521902 419629140 /nfs/dbraw/zinc/62/91/40/419629140.db2.gz USJWMUOUEGMAGU-SRVKXCTJSA-N 2 0 255.362 -0.051 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000662521900 419630744 /nfs/dbraw/zinc/63/07/44/419630744.db2.gz USJWMUOUEGMAGU-GRYCIOLGSA-N 2 0 255.362 -0.051 20 0 CBADRP O=C(C[NH2+]CC1CC1)Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000328631898 419631384 /nfs/dbraw/zinc/63/13/84/419631384.db2.gz RNVOBRNRRUVSCR-LLVKDONJSA-N 2 0 263.345 0.356 20 0 CBADRP CC(C)[NH2+]CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000662516588 419631246 /nfs/dbraw/zinc/63/12/46/419631246.db2.gz DGYXCIXZUSIZRG-LBPRGKRZSA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)COC2(C)C[NH2+]C2)C1 ZINC000647818208 419660961 /nfs/dbraw/zinc/66/09/61/419660961.db2.gz CTEBZNCEUVJFDM-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP O=C([C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1)N1CC[NH2+]CC1 ZINC000647825635 419662314 /nfs/dbraw/zinc/66/23/14/419662314.db2.gz ZUMVUPSRDIZCNU-NEPJUHHUSA-N 2 0 280.372 -0.981 20 0 CBADRP O=C([C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1)N1CC[NH2+]CC1 ZINC000647825636 419662772 /nfs/dbraw/zinc/66/27/72/419662772.db2.gz ZUMVUPSRDIZCNU-NWDGAFQWSA-N 2 0 280.372 -0.981 20 0 CBADRP [NH3+]CCn1cc(C(=O)NCC2([NH3+])CCCC2)nn1 ZINC000662649028 419665362 /nfs/dbraw/zinc/66/53/62/419665362.db2.gz YZVULIFJSDYXCV-UHFFFAOYSA-N 2 0 252.322 -0.762 20 0 CBADRP CC(C)N1CC[C@H]([N@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000647835971 419665287 /nfs/dbraw/zinc/66/52/87/419665287.db2.gz WWHBAMZZOYOVGB-ZDUSSCGKSA-N 2 0 268.405 -0.167 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000662765417 419714242 /nfs/dbraw/zinc/71/42/42/419714242.db2.gz GBDXSBYBHTYCEM-WJTVCTBASA-N 2 0 267.373 -0.064 20 0 CBADRP CCN(C)C(=O)CC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647836234 419668612 /nfs/dbraw/zinc/66/86/12/419668612.db2.gz SAZFDYXZWYBYHB-UHFFFAOYSA-N 2 0 256.394 -0.308 20 0 CBADRP CC1(C)C[NH2+]CCN1C(=O)c1cn(CCCC[NH3+])nn1 ZINC000647841413 419669959 /nfs/dbraw/zinc/66/99/59/419669959.db2.gz RIZJFUYNCHRYCF-UHFFFAOYSA-N 2 0 280.376 -0.159 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662668263 419676453 /nfs/dbraw/zinc/67/64/53/419676453.db2.gz JWBIHQFKVJKPGU-MGPQQGTHSA-N 2 0 299.415 -0.177 20 0 CBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000662671597 419677208 /nfs/dbraw/zinc/67/72/08/419677208.db2.gz OKEYWIHZJWSDIQ-VXGBXAGGSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000662671594 419677244 /nfs/dbraw/zinc/67/72/44/419677244.db2.gz OKEYWIHZJWSDIQ-NEPJUHHUSA-N 2 0 255.362 -0.048 20 0 CBADRP CS(=O)(=O)NC[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647877060 419678810 /nfs/dbraw/zinc/67/88/10/419678810.db2.gz HBJSIGPCCDMIHY-NWDGAFQWSA-N 2 0 275.418 -0.143 20 0 CBADRP CC1(OCC(=O)N2CCC(OCCC[NH3+])CC2)C[NH2+]C1 ZINC000647872205 419680080 /nfs/dbraw/zinc/68/00/80/419680080.db2.gz GPHDKYOYGBLUSR-UHFFFAOYSA-N 2 0 285.388 -0.279 20 0 CBADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)C1(O)C[NH2+]C1 ZINC000662684192 419680859 /nfs/dbraw/zinc/68/08/59/419680859.db2.gz BPRLIOGWXSCRPO-UHFFFAOYSA-N 2 0 299.440 -0.202 20 0 CBADRP CN1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)[C@H](C[NH3+])C1 ZINC000647874208 419681701 /nfs/dbraw/zinc/68/17/01/419681701.db2.gz IMHAKJVDTTXVLD-NXEZZACHSA-N 3 0 276.331 -0.668 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662692543 419684787 /nfs/dbraw/zinc/68/47/87/419684787.db2.gz LUBVQWDJXKDDGG-XYPYZODXSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]C2)CCO1 ZINC000647877434 419685333 /nfs/dbraw/zinc/68/53/33/419685333.db2.gz QJTYYWWALVZJBD-GVXVVHGQSA-N 2 0 255.362 -0.049 20 0 CBADRP CC(C)[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC[NH2+]1 ZINC000662770236 419714898 /nfs/dbraw/zinc/71/48/98/419714898.db2.gz NGJHSKCOYTUOSC-UTUOFQBUSA-N 2 0 255.362 -0.193 20 0 CBADRP CCN1C(=O)[C@H]2C[N@H+](CC3CC[NH2+]CC3)CCN2C1=O ZINC000647891631 419686623 /nfs/dbraw/zinc/68/66/23/419686623.db2.gz ZDPSURWYLUWEFC-GFCCVEGCSA-N 2 0 280.372 -0.046 20 0 CBADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@]2(O)CCOC2)CC1 ZINC000647909464 419687039 /nfs/dbraw/zinc/68/70/39/419687039.db2.gz PJYLUKNZFGITLO-AWEZNQCLSA-N 2 0 272.389 -0.037 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662699509 419689346 /nfs/dbraw/zinc/68/93/46/419689346.db2.gz BOPSGZGWUWUPPN-GRYCIOLGSA-N 2 0 255.362 -0.192 20 0 CBADRP CC[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647934361 419691059 /nfs/dbraw/zinc/69/10/59/419691059.db2.gz BVUPBMJUMPHNEJ-QWHCGFSZSA-N 3 0 268.405 -0.133 20 0 CBADRP CN1CCN(C(=O)CC[NH+]2CCC(C)([NH3+])CC2)CC1 ZINC000647924081 419691566 /nfs/dbraw/zinc/69/15/66/419691566.db2.gz DCJKDOWYIDCHRA-UHFFFAOYSA-N 2 0 268.405 -0.036 20 0 CBADRP CC[C@H]1C[N@H+](CCCS(=O)(=O)NC)CC[C@@H]1[NH3+] ZINC000647936310 419691840 /nfs/dbraw/zinc/69/18/40/419691840.db2.gz BEWRMBSUOLEIOA-QWRGUYRKSA-N 2 0 263.407 -0.015 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])n1 ZINC000662704945 419693623 /nfs/dbraw/zinc/69/36/23/419693623.db2.gz MGMQIXMVXQYFCN-WDEREUQCSA-N 2 0 281.360 -0.253 20 0 CBADRP O=C(N1CCN(Cc2cccc(O)c2)CC1)C1(O)C[NH2+]C1 ZINC000662709958 419694987 /nfs/dbraw/zinc/69/49/87/419694987.db2.gz FOTIVJVNFQPTAP-UHFFFAOYSA-N 2 0 291.351 -0.629 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662713314 419696659 /nfs/dbraw/zinc/69/66/59/419696659.db2.gz YWKWCKUUKIZZFT-AGIUHOORSA-N 2 0 285.388 -0.423 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000662715041 419697492 /nfs/dbraw/zinc/69/74/92/419697492.db2.gz CVLAEBFKMIMLBE-JOCQHMNTSA-N 2 0 294.399 -0.510 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC12CC(C1)C[NH2+]2 ZINC000662718607 419697577 /nfs/dbraw/zinc/69/75/77/419697577.db2.gz MPZLQCOUAKVLHL-IQLKVPPVSA-N 2 0 280.372 -0.887 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000662716875 419697610 /nfs/dbraw/zinc/69/76/10/419697610.db2.gz IOCPPBHUEYQMCS-LPWJVIDDSA-N 2 0 267.373 -0.219 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662714576 419697714 /nfs/dbraw/zinc/69/77/14/419697714.db2.gz JAKGHNIYGXITIR-MZYPSXCRSA-N 2 0 251.330 -0.909 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000662717211 419698397 /nfs/dbraw/zinc/69/83/97/419698397.db2.gz LXZYNBFGADAGLL-CVZZAPKMSA-N 2 0 290.371 -0.488 20 0 CBADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C1(O)C[NH2+]C1 ZINC000662713152 419699516 /nfs/dbraw/zinc/69/95/16/419699516.db2.gz XQKHNDXQMJJSDS-UHFFFAOYSA-N 2 0 259.269 -0.460 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662733214 419705962 /nfs/dbraw/zinc/70/59/62/419705962.db2.gz RWRPVGFJSUKHTP-SECBINFHSA-N 2 0 254.338 -0.660 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662729108 419708084 /nfs/dbraw/zinc/70/80/84/419708084.db2.gz JUQNAHFMEDEMJI-NSHDSACASA-N 2 0 255.362 -0.585 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662754120 419712251 /nfs/dbraw/zinc/71/22/51/419712251.db2.gz DMZOPIWXBFLRBJ-LPTSXCQYSA-N 2 0 267.373 -0.051 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cnn1C ZINC000662565065 419642815 /nfs/dbraw/zinc/64/28/15/419642815.db2.gz FUSJWANCYLJJAV-ODXJTPSBSA-N 2 0 289.383 -0.634 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662567022 419643377 /nfs/dbraw/zinc/64/33/77/419643377.db2.gz SHZBCCHSTGGQDZ-IUCAKERBSA-N 2 0 251.334 -0.046 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000662569600 419643766 /nfs/dbraw/zinc/64/37/66/419643766.db2.gz AMKLKODPEVYNOA-QWRGUYRKSA-N 2 0 259.350 -0.767 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662566200 419644217 /nfs/dbraw/zinc/64/42/17/419644217.db2.gz TYQHCDROJNZKPX-UTLUCORTSA-N 2 0 281.335 -0.084 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662590943 419645913 /nfs/dbraw/zinc/64/59/13/419645913.db2.gz OSFKCKYSIHPBPW-GFCCVEGCSA-N 2 0 282.388 -0.701 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662605053 419649984 /nfs/dbraw/zinc/64/99/84/419649984.db2.gz KPPLUHBRFYYSOL-VIFPVBQESA-N 2 0 256.350 -0.950 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000647770005 419651319 /nfs/dbraw/zinc/65/13/19/419651319.db2.gz SZBCXBXUZSSZHE-ZDUSSCGKSA-N 2 0 284.404 -0.881 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)C1CC[NH2+]CC1 ZINC000647769925 419652055 /nfs/dbraw/zinc/65/20/55/419652055.db2.gz PDKPIWJOPFLJRJ-UHFFFAOYSA-N 2 0 254.378 -0.650 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000647777655 419653381 /nfs/dbraw/zinc/65/33/81/419653381.db2.gz VHRATIFYMRJYGX-TZMCWYRMSA-N 2 0 266.389 -0.650 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000647777652 419653643 /nfs/dbraw/zinc/65/36/43/419653643.db2.gz VHRATIFYMRJYGX-GXTWGEPZSA-N 2 0 266.389 -0.650 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000647777298 419654068 /nfs/dbraw/zinc/65/40/68/419654068.db2.gz JGEKSGHFCXDJKX-UTUOFQBUSA-N 2 0 252.362 -0.900 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000662622847 419654560 /nfs/dbraw/zinc/65/45/60/419654560.db2.gz UUVLCVVVONORKF-QWRGUYRKSA-N 2 0 255.362 -0.036 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000647807005 419658412 /nfs/dbraw/zinc/65/84/12/419658412.db2.gz NFCOXBOZEFNTQU-GFCCVEGCSA-N 2 0 279.388 -0.067 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000647807000 419658459 /nfs/dbraw/zinc/65/84/59/419658459.db2.gz DTDUIFAECSQQRW-WDEREUQCSA-N 2 0 280.376 -0.212 20 0 CBADRP C[C@H](CCNC(=O)c1cn(CCC[NH3+])nn1)[NH+](C)C ZINC000662634563 419659585 /nfs/dbraw/zinc/65/95/85/419659585.db2.gz SJPLASOGUQQWDB-SNVBAGLBSA-N 2 0 268.365 -0.303 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000662790252 419725722 /nfs/dbraw/zinc/72/57/22/419725722.db2.gz BGDZIECVIFIGJP-NEPJUHHUSA-N 2 0 253.346 -0.343 20 0 CBADRP CC1(OCC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)C[NH2+]C1 ZINC000648103413 419726355 /nfs/dbraw/zinc/72/63/55/419726355.db2.gz REYBJRHNMOTNCD-LLVKDONJSA-N 2 0 253.346 -0.282 20 0 CBADRP CC1(OCC(=O)NCC2(C)CC[NH2+]CC2)C[NH2+]C1 ZINC000648108702 419731874 /nfs/dbraw/zinc/73/18/74/419731874.db2.gz VRWNSUPPYHPRRV-UHFFFAOYSA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662796096 419731928 /nfs/dbraw/zinc/73/19/28/419731928.db2.gz IGJVWOROLKKCLQ-WDEREUQCSA-N 2 0 259.350 -0.955 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662800937 419731949 /nfs/dbraw/zinc/73/19/49/419731949.db2.gz HEXJHKJBXYDZFB-RYUDHWBXSA-N 2 0 255.362 -0.097 20 0 CBADRP [NH3+][C@@H]1CCc2ncc(NC(=O)[C@@H]3C[NH2+]CCO3)cc2C1 ZINC000648106966 419732031 /nfs/dbraw/zinc/73/20/31/419732031.db2.gz KZIITEMRFWEXCQ-MFKMUULPSA-N 2 0 276.340 -0.176 20 0 CBADRP CO[C@@H]1CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)[C@H](C[NH3+])C1 ZINC000648108233 419732280 /nfs/dbraw/zinc/73/22/80/419732280.db2.gz NFAFCGSIYBHNFY-WRWGMCAJSA-N 2 0 255.362 -0.051 20 0 CBADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])[C@@H]2C1 ZINC000662812981 419732939 /nfs/dbraw/zinc/73/29/39/419732939.db2.gz XKWZGKJCZZVQKA-FVCCEPFGSA-N 2 0 283.372 -0.718 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C[C@@H]1C[NH3+] ZINC000662813229 419736789 /nfs/dbraw/zinc/73/67/89/419736789.db2.gz IHQRPIZCZKYWNC-WRWGMCAJSA-N 2 0 255.362 -0.207 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662813547 419737952 /nfs/dbraw/zinc/73/79/52/419737952.db2.gz KMEYWUNOULSNJY-WCBMZHEXSA-N 2 0 281.278 -0.367 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])C[C@H]1C[NH3+] ZINC000662813225 419738059 /nfs/dbraw/zinc/73/80/59/419738059.db2.gz IHQRPIZCZKYWNC-KKOKHZNYSA-N 2 0 255.362 -0.207 20 0 CBADRP CC(C)[C@H]1CN(C(=O)CN2CCCC[C@@H]([NH3+])C2=O)CC[NH2+]1 ZINC000648121669 419738811 /nfs/dbraw/zinc/73/88/11/419738811.db2.gz HWKBHWCXISYENZ-CHWSQXEVSA-N 2 0 296.415 -0.217 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000662943913 419786494 /nfs/dbraw/zinc/78/64/94/419786494.db2.gz DSGVXVMYNKZUFR-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP C[N@@H+]1CC[C@](N)(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000648124344 419743041 /nfs/dbraw/zinc/74/30/41/419743041.db2.gz XWPRABGMAWEYST-GMXVVIOVSA-N 2 0 252.362 -0.770 20 0 CBADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1(O)C[NH2+]C1 ZINC000662835052 419743705 /nfs/dbraw/zinc/74/37/05/419743705.db2.gz KIEHYOFOYSQJOI-GHMZBOCLSA-N 2 0 253.346 -0.546 20 0 CBADRP CC1(OCC(=O)N2CCC[C@H](CC[NH3+])C2)C[NH2+]C1 ZINC000648130108 419745947 /nfs/dbraw/zinc/74/59/47/419745947.db2.gz IVJREKOCOLAMCS-LLVKDONJSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000648136272 419749561 /nfs/dbraw/zinc/74/95/61/419749561.db2.gz OOSFZOXLNRJNHD-TUAOUCFPSA-N 2 0 252.362 -0.770 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000648138980 419751022 /nfs/dbraw/zinc/75/10/22/419751022.db2.gz NYIFYQYYCIKLDP-NNYUYHANSA-N 2 0 253.346 -0.569 20 0 CBADRP CC1(OCC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C[NH2+]C1 ZINC000648137980 419751057 /nfs/dbraw/zinc/75/10/57/419751057.db2.gz YJTCQYZZRJFBEN-AWEZNQCLSA-N 2 0 267.373 -0.033 20 0 CBADRP CC1(OCC(=O)N2CCC3(CC[NH2+]C3)CC2)C[NH2+]C1 ZINC000648141321 419751104 /nfs/dbraw/zinc/75/11/04/419751104.db2.gz BQCNNUWZCBBDLI-UHFFFAOYSA-N 2 0 267.373 -0.033 20 0 CBADRP [NH3+]CC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000662859232 419751453 /nfs/dbraw/zinc/75/14/53/419751453.db2.gz LUDVVZVPXFAVSG-ZDUSSCGKSA-N 2 0 263.341 -0.172 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1C[NH2+]CCC1(F)F ZINC000648148202 419759298 /nfs/dbraw/zinc/75/92/98/419759298.db2.gz RKHDLKHRTXPQBJ-VHSXEESVSA-N 2 0 277.315 -0.274 20 0 CBADRP CC1(OCC(=O)N2CC[NH+]3CCC2CC3)C[NH2+]C1 ZINC000648153835 419759996 /nfs/dbraw/zinc/75/99/96/419759996.db2.gz WMNIDRBVYNHIGA-UHFFFAOYSA-N 2 0 253.346 -0.329 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])N1CC[NH+](C)CC1 ZINC000431013530 544593341 /nfs/dbraw/zinc/59/33/41/544593341.db2.gz YPSIYXIUBGRFGQ-UPJWGTAASA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@@H+]1C ZINC000648148383 419760526 /nfs/dbraw/zinc/76/05/26/419760526.db2.gz BIWOMVFLTCYPLD-IJLUTSLNSA-N 2 0 255.362 -0.179 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648153369 419761037 /nfs/dbraw/zinc/76/10/37/419761037.db2.gz AFPWRTQEMQWTEZ-MCIONIFRSA-N 2 0 280.416 -0.167 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)COCC[NH3+])C1 ZINC000648157932 419761622 /nfs/dbraw/zinc/76/16/22/419761622.db2.gz VWFZFMIENRFEGQ-NWDGAFQWSA-N 2 0 255.362 -0.096 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000648169055 419762922 /nfs/dbraw/zinc/76/29/22/419762922.db2.gz QJSOAGJJHMUEAY-DYEKYZERSA-N 2 0 296.415 -0.362 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)COC1(C)C[NH2+]C1 ZINC000648165844 419763627 /nfs/dbraw/zinc/76/36/27/419763627.db2.gz KZONKGVSSQUGKP-UHFFFAOYSA-N 2 0 255.362 -0.083 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CCC[NH2+]CC1 ZINC000662908665 419766186 /nfs/dbraw/zinc/76/61/86/419766186.db2.gz VRONVOBKXYQVID-ZIAGYGMSSA-N 2 0 280.416 -0.118 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000662906544 419766246 /nfs/dbraw/zinc/76/62/46/419766246.db2.gz NNAODNZCZZCMQN-NWDGAFQWSA-N 2 0 266.389 -0.510 20 0 CBADRP [NH3+]CCOCC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000648176253 419767545 /nfs/dbraw/zinc/76/75/45/419767545.db2.gz AESITDWQJQOHBZ-VXGBXAGGSA-N 2 0 255.362 -0.048 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000662905617 419767674 /nfs/dbraw/zinc/76/76/74/419767674.db2.gz FIWSMMYNEQAPBX-CHWSQXEVSA-N 2 0 280.416 -0.119 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000662908345 419767734 /nfs/dbraw/zinc/76/77/34/419767734.db2.gz SXXHWNWMVVRSIB-CHWSQXEVSA-N 2 0 268.405 -0.119 20 0 CBADRP [NH3+]CCOCC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000648176250 419768079 /nfs/dbraw/zinc/76/80/79/419768079.db2.gz AESITDWQJQOHBZ-NEPJUHHUSA-N 2 0 255.362 -0.048 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000662906409 419768662 /nfs/dbraw/zinc/76/86/62/419768662.db2.gz KAQSIDNECDUCIN-YCPHGPKFSA-N 2 0 292.427 -0.118 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000662908385 419769593 /nfs/dbraw/zinc/76/95/93/419769593.db2.gz UEXAMQDSUOOARM-IJLUTSLNSA-N 2 0 252.362 -0.770 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@]3(C)CCC[NH2+]3)C[C@H]2[NH3+])cn1 ZINC000648181009 419770960 /nfs/dbraw/zinc/77/09/60/419770960.db2.gz WQFHOROIHGQRJJ-SCRDCRAPSA-N 2 0 277.372 -0.185 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000662939269 419787825 /nfs/dbraw/zinc/78/78/25/419787825.db2.gz NJXDQZUWPKDKOV-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662921194 419773911 /nfs/dbraw/zinc/77/39/11/419773911.db2.gz FZMOYONKCISLRV-UHFFFAOYSA-N 2 0 282.388 -0.654 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662923910 419778382 /nfs/dbraw/zinc/77/83/82/419778382.db2.gz NBQCBRHXOZYZLE-UHFFFAOYSA-N 2 0 294.399 -0.510 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000662927150 419778519 /nfs/dbraw/zinc/77/85/19/419778519.db2.gz UINUIHYIMUDDFP-QWHCGFSZSA-N 2 0 298.431 -0.114 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000662927491 419778771 /nfs/dbraw/zinc/77/87/71/419778771.db2.gz BFMOEQQSQJEJPB-UHFFFAOYSA-N 2 0 298.431 -0.016 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000662930235 419781461 /nfs/dbraw/zinc/78/14/61/419781461.db2.gz NPFVAKQLVLXNGN-UHFFFAOYSA-N 2 0 284.404 -0.406 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662788144 419722552 /nfs/dbraw/zinc/72/25/52/419722552.db2.gz XVTYBXQDOXUWRX-CHWSQXEVSA-N 2 0 285.388 -0.469 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000662786225 419723060 /nfs/dbraw/zinc/72/30/60/419723060.db2.gz UXCQTWYMFJBIIV-UTUOFQBUSA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH+]1CCN(c2ccc(NC(=O)C3(O)C[NH2+]C3)cn2)CC1 ZINC000662784845 419724029 /nfs/dbraw/zinc/72/40/29/419724029.db2.gz DUUAOBKNEODLPJ-UHFFFAOYSA-N 2 0 291.355 -0.894 20 0 CBADRP O=C(N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C1(O)C[NH2+]C1 ZINC000662786274 419724574 /nfs/dbraw/zinc/72/45/74/419724574.db2.gz VWDMJVDRQWTRPD-MNOVXSKESA-N 2 0 253.346 -0.831 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC[N@@H+]1C ZINC000648778915 419802293 /nfs/dbraw/zinc/80/22/93/419802293.db2.gz SXVNEVQVZJGFAW-JHJVBQTASA-N 2 0 268.405 -0.311 20 0 CBADRP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)C1(O)C[NH2+]C1 ZINC000663003658 419807640 /nfs/dbraw/zinc/80/76/40/419807640.db2.gz MJVPFHCITYRUPN-LBPRGKRZSA-N 2 0 267.373 -0.441 20 0 CBADRP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)C1(O)C[NH2+]C1 ZINC000663003657 419807790 /nfs/dbraw/zinc/80/77/90/419807790.db2.gz MJVPFHCITYRUPN-GFCCVEGCSA-N 2 0 267.373 -0.441 20 0 CBADRP C[C@@]1(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC[NH2+]C1 ZINC000663013033 419808893 /nfs/dbraw/zinc/80/88/93/419808893.db2.gz HUEZBSMVNWEUED-ZWNOBZJWSA-N 2 0 278.360 -0.316 20 0 CBADRP [NH3+]CC(=O)NCC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663005875 419810709 /nfs/dbraw/zinc/81/07/09/419810709.db2.gz YZHCMKPKKYPJBE-GFCCVEGCSA-N 2 0 282.388 -0.701 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000516492702 544601421 /nfs/dbraw/zinc/60/14/21/544601421.db2.gz SGOCNASUDSQVLH-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](C)C2)CC[N@@H+]1C ZINC000648862093 419815805 /nfs/dbraw/zinc/81/58/05/419815805.db2.gz AQXMTPSDCGYXDM-NQBHXWOUSA-N 2 0 255.362 -0.491 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000649274843 419858578 /nfs/dbraw/zinc/85/85/78/419858578.db2.gz XEEKQLKHMWCLBI-CHWSQXEVSA-N 2 0 284.404 -0.802 20 0 CBADRP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000518497439 544602083 /nfs/dbraw/zinc/60/20/83/544602083.db2.gz XXSSUUXJIAWFLT-OLZOCXBDSA-N 2 0 283.420 -0.327 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351760014 419826196 /nfs/dbraw/zinc/82/61/96/419826196.db2.gz FJWMZCYOKZSRMR-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP O=C([C@H]1C[C@]12CCC[NH2+]C2)N1CCOC2(C[NH2+]C2)C1 ZINC000663217033 419828225 /nfs/dbraw/zinc/82/82/25/419828225.db2.gz AIRIAWHGARGPBB-YPMHNXCESA-N 2 0 265.357 -0.423 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000649077477 419835273 /nfs/dbraw/zinc/83/52/73/419835273.db2.gz SSLVRRTXKYNGKF-LBPRGKRZSA-N 2 0 284.404 -0.095 20 0 CBADRP CS(=O)(=O)N1CCC([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000663498222 419842200 /nfs/dbraw/zinc/84/22/00/419842200.db2.gz NLDGQOCQHBNUPU-UHFFFAOYSA-N 2 0 273.402 -0.248 20 0 CBADRP C(CN1CC[NH2+]CC1)[NH2+]Cc1nc2c(s1)C[NH2+]CC2 ZINC000663493773 419843556 /nfs/dbraw/zinc/84/35/56/419843556.db2.gz JTMHMIPFDRPEIR-UHFFFAOYSA-N 3 0 281.429 -0.216 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000649274449 419856687 /nfs/dbraw/zinc/85/66/87/419856687.db2.gz LUCWPRGHRVJWLB-FRRDWIJNSA-N 2 0 268.405 -0.040 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662943658 419787916 /nfs/dbraw/zinc/78/79/16/419787916.db2.gz WKCPVGRXPZNPAF-UHFFFAOYSA-N 2 0 286.420 -0.016 20 0 CBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000662939876 419787921 /nfs/dbraw/zinc/78/79/21/419787921.db2.gz QFDXCSNUSVLRBK-ZDUSSCGKSA-N 2 0 298.431 -0.016 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000662964942 419795441 /nfs/dbraw/zinc/79/54/41/419795441.db2.gz JQKTYCBMZHNCBA-VHSXEESVSA-N 2 0 266.349 -0.632 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000662966110 419796204 /nfs/dbraw/zinc/79/62/04/419796204.db2.gz PIEOZYKRSWEOHI-GFCCVEGCSA-N 2 0 256.394 -0.262 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000355286477 419867692 /nfs/dbraw/zinc/86/76/92/419867692.db2.gz XPRYVKRVSQQHKW-LBPRGKRZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)[C@@]1(CNC(=O)COC2(C)C[NH2+]C2)CCSC1 ZINC000649296497 419868275 /nfs/dbraw/zinc/86/82/75/419868275.db2.gz KUQJOMNHWVUTCL-CYBMUJFWSA-N 2 0 287.429 -0.082 20 0 CBADRP C[N@@H+]1CCC[C@@H](CNC(=O)CCOC2C[NH2+]C2)C1 ZINC000649310488 419873002 /nfs/dbraw/zinc/87/30/02/419873002.db2.gz MYHNGVYWHVEWKB-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)COC2(C)C[NH2+]C2)cn1 ZINC000649312558 419880067 /nfs/dbraw/zinc/88/00/67/419880067.db2.gz YZYXZVJNJUGGBK-UHFFFAOYSA-N 2 0 281.360 -0.238 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000649321478 419881816 /nfs/dbraw/zinc/88/18/16/419881816.db2.gz ZILGXQUMVBXTJC-ZIAGYGMSSA-N 2 0 297.399 -0.578 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649350582 419897830 /nfs/dbraw/zinc/89/78/30/419897830.db2.gz QOCYPSOOOSCADH-DGAVXFQQSA-N 2 0 280.416 -0.121 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000649322898 419882872 /nfs/dbraw/zinc/88/28/72/419882872.db2.gz UYTADTHAMZJLBF-JSGCOSHPSA-N 2 0 296.415 -0.314 20 0 CBADRP [NH3+]CCOCC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000649321075 419884213 /nfs/dbraw/zinc/88/42/13/419884213.db2.gz KZDDUQKMOIORRE-RYUDHWBXSA-N 2 0 271.361 -0.981 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000649321476 419884227 /nfs/dbraw/zinc/88/42/27/419884227.db2.gz ZILGXQUMVBXTJC-KGLIPLIRSA-N 2 0 297.399 -0.578 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000649320998 419885220 /nfs/dbraw/zinc/88/52/20/419885220.db2.gz HZMPSBWPTFXAPW-WOPDTQHZSA-N 2 0 255.362 -0.219 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649323714 419886438 /nfs/dbraw/zinc/88/64/38/419886438.db2.gz SPTTVGXXNRUICW-NNYUYHANSA-N 2 0 253.346 -0.711 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)COC1(C)C[NH2+]C1 ZINC000649340169 419896216 /nfs/dbraw/zinc/89/62/16/419896216.db2.gz FYZLJXUZCZMVIQ-UHFFFAOYSA-N 2 0 273.377 -0.551 20 0 CBADRP C[C@H]1C[NH+](CCCNC(=O)COC2(C)C[NH2+]C2)C[C@H](C)O1 ZINC000649284654 419863675 /nfs/dbraw/zinc/86/36/75/419863675.db2.gz NSEOWNVUPPEPBL-STQMWFEESA-N 2 0 299.415 -0.020 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000663849839 419863808 /nfs/dbraw/zinc/86/38/08/419863808.db2.gz MXJJTCPQHZYSNC-WOPDTQHZSA-N 2 0 272.393 -0.357 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000666922363 544650631 /nfs/dbraw/zinc/65/06/31/544650631.db2.gz OYOVNTZBPXLILP-AVGNSLFASA-N 2 0 284.404 -0.213 20 0 CBADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000649345079 419899178 /nfs/dbraw/zinc/89/91/78/419899178.db2.gz ILZAVCBLQZMYFN-SYQHCUMBSA-N 2 0 279.384 -0.083 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649350284 419900658 /nfs/dbraw/zinc/90/06/58/419900658.db2.gz ZCPMRTZCBYTAHK-LLVKDONJSA-N 2 0 290.358 -0.405 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000358518454 419900864 /nfs/dbraw/zinc/90/08/64/419900864.db2.gz KBULISDRPVIWPN-NSHDSACASA-N 2 0 272.393 -0.308 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649343105 419900947 /nfs/dbraw/zinc/90/09/47/419900947.db2.gz FBRWCWUGXABEFQ-UHFFFAOYSA-N 2 0 298.431 -0.493 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N1 ZINC000667811780 544673559 /nfs/dbraw/zinc/67/35/59/544673559.db2.gz WDVWJBIAPDZRIM-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CCN1CC[NH+](CCCCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649351051 419902705 /nfs/dbraw/zinc/90/27/05/419902705.db2.gz GUADRLGORFHRDJ-FICVDOATSA-N 2 0 294.443 -0.014 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3)CC2)C1 ZINC000649352951 419904039 /nfs/dbraw/zinc/90/40/39/419904039.db2.gz WROHEQWDCHBRRL-MJBXVCDLSA-N 2 0 280.416 -0.038 20 0 CBADRP CN1CCN(c2cc[nH+]cc2NC(=O)COCC[NH3+])CC1 ZINC000649351560 419904398 /nfs/dbraw/zinc/90/43/98/419904398.db2.gz BDIKBVGETCRWMF-UHFFFAOYSA-N 2 0 293.371 -0.253 20 0 CBADRP C[C@@H](CNC(=O)COC1(C)C[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000649351391 419904922 /nfs/dbraw/zinc/90/49/22/419904922.db2.gz TWKBOAODVQDQQX-ZDUSSCGKSA-N 2 0 298.431 -0.635 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649352904 419905386 /nfs/dbraw/zinc/90/53/86/419905386.db2.gz SVJWFGUWFOEEAU-WDEREUQCSA-N 2 0 290.358 -0.407 20 0 CBADRP CCC[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CC[N@@H+]1CCOC ZINC000649379156 419907182 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C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000358674013 419911926 /nfs/dbraw/zinc/91/19/26/419911926.db2.gz BNRJJRQEHGOQMH-GUTXKFCHSA-N 2 0 296.415 -0.021 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C1([NH+](C)C)CC1 ZINC000668581389 544708496 /nfs/dbraw/zinc/70/84/96/544708496.db2.gz CNYSLLQLMBRMMR-NSHDSACASA-N 2 0 254.378 -0.557 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C[C@H](C)[N@H+]1C ZINC000358713759 419914808 /nfs/dbraw/zinc/91/48/08/419914808.db2.gz SDAWPGJKSPKJEC-MJBXVCDLSA-N 2 0 280.416 -0.073 20 0 CBADRP CC[C@@]1(C(=O)N2CCOC3(C[NH2+]C3)C2)CCC[NH2+]1 ZINC000664727636 419915093 /nfs/dbraw/zinc/91/50/93/419915093.db2.gz MUNQNSOIVNVUPI-ZDUSSCGKSA-N 2 0 253.346 -0.281 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)C1 ZINC000668658015 544713205 /nfs/dbraw/zinc/71/32/05/544713205.db2.gz CMKSJSMYJIVCTP-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000668670163 544714302 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CN1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000669512575 544751039 /nfs/dbraw/zinc/75/10/39/544751039.db2.gz FDUZYRVFWJKQRN-NWDGAFQWSA-N 2 0 254.378 -0.380 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000669491143 544751138 /nfs/dbraw/zinc/75/11/38/544751138.db2.gz NDNIAAZACBUSEU-OLZOCXBDSA-N 2 0 282.388 -0.242 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)CCO1 ZINC000669512838 544752125 /nfs/dbraw/zinc/75/21/25/544752125.db2.gz ZRGQXQUYUCMWTJ-WYUUTHIRSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C[N@@H+]1C1CC1 ZINC000669524696 544752603 /nfs/dbraw/zinc/75/26/03/544752603.db2.gz ZIANSXUTKKJTKZ-BZPMIXESSA-N 2 0 295.431 -0.104 20 0 CBADRP CN1CCN(C(=O)CC[N@H+](C)CC(=O)N2CCCC2)CC1 ZINC000669926996 544767780 /nfs/dbraw/zinc/76/77/80/544767780.db2.gz KLEKLZWPTONXTK-UHFFFAOYSA-N 2 0 296.415 -0.295 20 0 CBADRP CN1CCN(C(=O)CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000669927725 544768535 /nfs/dbraw/zinc/76/85/35/544768535.db2.gz HSGHXSKKBOQHCO-CHWSQXEVSA-N 2 0 266.389 -0.698 20 0 CBADRP C[NH+](C)[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000671817253 544834065 /nfs/dbraw/zinc/83/40/65/544834065.db2.gz KLTNCGDFPLTIQS-AAEUAGOBSA-N 2 0 294.399 -0.498 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000671816900 544834712 /nfs/dbraw/zinc/83/47/12/544834712.db2.gz MVZFOTYIYUZPMS-VXGBXAGGSA-N 2 0 294.399 -0.450 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000670408359 544786052 /nfs/dbraw/zinc/78/60/52/544786052.db2.gz MYDANOGEUJVGFX-ZDUSSCGKSA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665294667 419937502 /nfs/dbraw/zinc/93/75/02/419937502.db2.gz TZFMNQPEUCBGBZ-WCBMZHEXSA-N 2 0 251.334 -0.272 20 0 CBADRP CN(CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+])S(C)(=O)=O ZINC000665230992 419938874 /nfs/dbraw/zinc/93/88/74/419938874.db2.gz ZVPYGCBQMDKENE-WDEREUQCSA-N 2 0 263.407 -0.015 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292096 419938930 /nfs/dbraw/zinc/93/89/30/419938930.db2.gz SGSIAIJWVHLORH-WCBMZHEXSA-N 2 0 251.334 -0.319 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000359227167 419952019 /nfs/dbraw/zinc/95/20/19/419952019.db2.gz VHWSSFRCROPDMA-YPMHNXCESA-N 2 0 284.404 -0.314 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N(C)CC[NH+](C)C)C1CC1 ZINC000359291037 419957251 /nfs/dbraw/zinc/95/72/51/419957251.db2.gz QKKXPTQIGAGEQT-UHFFFAOYSA-N 2 0 284.404 -0.393 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](O)C2)C1 ZINC000650725216 419966719 /nfs/dbraw/zinc/96/67/19/419966719.db2.gz VYIPXOBKNVOLIK-NWDGAFQWSA-N 2 0 255.362 -0.360 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000360172168 420007819 /nfs/dbraw/zinc/00/78/19/420007819.db2.gz RTLOZICRKQXAEX-UHFFFAOYSA-N 2 0 286.420 -0.146 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000364196917 420030870 /nfs/dbraw/zinc/03/08/70/420030870.db2.gz QQZMXEVRCZAMOE-YPMHNXCESA-N 2 0 255.362 -0.048 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000364196915 420031559 /nfs/dbraw/zinc/03/15/59/420031559.db2.gz QQZMXEVRCZAMOE-DGCLKSJQSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000364214869 420031778 /nfs/dbraw/zinc/03/17/78/420031778.db2.gz MPFABAJCRQHCAK-YVECIDJPSA-N 2 0 269.389 -0.054 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652150478 420050268 /nfs/dbraw/zinc/05/02/68/420050268.db2.gz XWYPECCZXBSZAY-LBPRGKRZSA-N 2 0 283.420 -0.340 20 0 CBADRP CCO[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000652202921 420051070 /nfs/dbraw/zinc/05/10/70/420051070.db2.gz YIBQOTLQHYAYSK-JHJVBQTASA-N 2 0 284.404 -0.009 20 0 CBADRP CCO[C@@H]1CN(C(=O)NC[C@H](C)C[NH3+])C[C@H]1C[NH3+] ZINC000652210287 420051119 /nfs/dbraw/zinc/05/11/19/420051119.db2.gz MQQQRYKSZLYDQE-GMTAPVOTSA-N 2 0 258.366 -0.414 20 0 CBADRP CCO[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C[C@H]1C[NH3+] ZINC000652215205 420051918 /nfs/dbraw/zinc/05/19/18/420051918.db2.gz HTWOOFHZOUKJRU-FDYHWXHSSA-N 2 0 284.404 -0.010 20 0 CBADRP O=C(NCCC1CC[NH2+]CC1)NC[C@@H]1C[NH2+]CCO1 ZINC000652223358 420052849 /nfs/dbraw/zinc/05/28/49/420052849.db2.gz DESYAVZXAXXPDR-LBPRGKRZSA-N 2 0 270.377 -0.336 20 0 CBADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000652352399 420059397 /nfs/dbraw/zinc/05/93/97/420059397.db2.gz PZQILGWXMNKDEG-KBPBESRZSA-N 3 0 252.406 -0.048 20 0 CBADRP C[C@H]1C[NH+](CCCCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000365320864 420061411 /nfs/dbraw/zinc/06/14/11/420061411.db2.gz OSAURQQLFGKNPN-XDQVBPFNSA-N 2 0 299.415 -0.285 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H]1c1ccc(F)cc1 ZINC000366770432 420095419 /nfs/dbraw/zinc/09/54/19/420095419.db2.gz DFJQLNKLPKJNHH-IGQOVBAYSA-N 2 0 293.342 -0.198 20 0 CBADRP C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CCC[NH2+]C1 ZINC000653046761 420109589 /nfs/dbraw/zinc/10/95/89/420109589.db2.gz OFMCGVVPPRXSEP-MNXVOIDGSA-N 2 0 267.373 -0.273 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653048580 420109685 /nfs/dbraw/zinc/10/96/85/420109685.db2.gz JVHQTSBCCVNLQX-JKOKRWQUSA-N 2 0 267.373 -0.192 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000672594003 544856211 /nfs/dbraw/zinc/85/62/11/544856211.db2.gz AZSYCCHIVPGHBQ-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653045361 420110675 /nfs/dbraw/zinc/11/06/75/420110675.db2.gz GCVOLFQMZHZYTL-STQMWFEESA-N 2 0 266.389 -0.462 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000653044985 420110818 /nfs/dbraw/zinc/11/08/18/420110818.db2.gz MUHLKNNIGKYDOF-TUAOUCFPSA-N 2 0 256.394 -0.006 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CCC[NH2+]CC2)CCO1 ZINC000653056054 420111447 /nfs/dbraw/zinc/11/14/47/420111447.db2.gz SGLVERMIRZWOIE-SDDRHHMPSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653054830 420111609 /nfs/dbraw/zinc/11/16/09/420111609.db2.gz VFOVZRFGVQCXMH-GWCFXTLKSA-N 2 0 255.362 -0.334 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653056246 420111619 /nfs/dbraw/zinc/11/16/19/420111619.db2.gz ZWLPLQIMFCQDQS-LOWVWBTDSA-N 2 0 255.362 -0.144 20 0 CBADRP C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[C@@H]1[NH3+] ZINC000653052247 420111658 /nfs/dbraw/zinc/11/16/58/420111658.db2.gz YXXIWERYDHVFIP-ZPFDUUQYSA-N 2 0 253.346 -0.582 20 0 CBADRP CCCN(CC(=O)N(C)C)C(=O)[C@H](N)CC[NH+](C)C ZINC000653076390 420112914 /nfs/dbraw/zinc/11/29/14/420112914.db2.gz UEDZRCMMFIFUSC-LLVKDONJSA-N 2 0 272.393 -0.408 20 0 CBADRP C[NH+](C)CCCCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653110824 420116872 /nfs/dbraw/zinc/11/68/72/420116872.db2.gz VPQMPASRHBOILJ-AAEUAGOBSA-N 2 0 255.362 -0.320 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653111384 420117189 /nfs/dbraw/zinc/11/71/89/420117189.db2.gz NQSWFYUJVZRXGH-XFMPKHEZSA-N 2 0 279.384 -0.035 20 0 CBADRP CN(C(=O)[C@H](N)CC[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000653117129 420118387 /nfs/dbraw/zinc/11/83/87/420118387.db2.gz AMXHAPOYZXQDAN-CHWSQXEVSA-N 2 0 268.405 -0.040 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000653117925 420118490 /nfs/dbraw/zinc/11/84/90/420118490.db2.gz ZPPBFKHMJXYPAB-QWHCGFSZSA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)[N@H+](C)C1CC1 ZINC000653116707 420118881 /nfs/dbraw/zinc/11/88/81/420118881.db2.gz PLPJSUFOPJTFJB-JQWIXIFHSA-N 2 0 256.394 -0.136 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653117674 420119326 /nfs/dbraw/zinc/11/93/26/420119326.db2.gz SMXKZEBLJVXSQX-SCRDCRAPSA-N 2 0 283.372 -0.941 20 0 CBADRP C[C@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C[N@@H+]1C1CC1 ZINC000653123748 420120517 /nfs/dbraw/zinc/12/05/17/420120517.db2.gz GAVLWSYINNVWLP-ASHKBJFXSA-N 2 0 279.384 -0.036 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C[N@@H+]1C1CC1 ZINC000653123751 420120949 /nfs/dbraw/zinc/12/09/49/420120949.db2.gz GAVLWSYINNVWLP-ZAZJYDDPSA-N 2 0 279.384 -0.036 20 0 CBADRP O=C([C@@H]1CCC[NH2+]CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000653141506 420121717 /nfs/dbraw/zinc/12/17/17/420121717.db2.gz UZKIIEYKOVKQKZ-ZIAGYGMSSA-N 2 0 280.416 -0.118 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000653140361 420121928 /nfs/dbraw/zinc/12/19/28/420121928.db2.gz ZWIMJXCSALBDOB-NWDGAFQWSA-N 2 0 256.394 -0.005 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653163227 420124175 /nfs/dbraw/zinc/12/41/75/420124175.db2.gz MUDRJLPTVMQGFJ-QJPTWQEYSA-N 2 0 253.346 -0.378 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@H](N)CC[NH+](C)C)C[C@@H]1C[NH3+] ZINC000653163000 420125178 /nfs/dbraw/zinc/12/51/78/420125178.db2.gz AIRIXWATPZSXSC-GRYCIOLGSA-N 2 0 256.394 -0.291 20 0 CBADRP COCC1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CC[NH2+]CC1 ZINC000368156736 420125207 /nfs/dbraw/zinc/12/52/07/420125207.db2.gz APQQVUOKCNYDBZ-QWRGUYRKSA-N 2 0 273.352 -0.181 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000368178212 420125587 /nfs/dbraw/zinc/12/55/87/420125587.db2.gz JQJQVXHWCSPTHR-UONOGXRCSA-N 2 0 280.416 -0.166 20 0 CBADRP [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1C[NH2+]CCO1 ZINC000653170446 420126358 /nfs/dbraw/zinc/12/63/58/420126358.db2.gz BRHXBIJGFYYCTH-AKJDGMEZSA-N 2 0 253.346 -0.295 20 0 CBADRP C[NH2+]Cc1ccccc1CNC(=O)COCC[NH3+] ZINC000653211481 420128801 /nfs/dbraw/zinc/12/88/01/420128801.db2.gz ZOPPOIUOOFVCCF-UHFFFAOYSA-N 2 0 251.330 -0.003 20 0 CBADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000368324125 420128928 /nfs/dbraw/zinc/12/89/28/420128928.db2.gz MZJZGIBJLJAGLG-LBPRGKRZSA-N 2 0 268.405 -0.167 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)C[C@H]1C[NH3+] ZINC000653247452 420130023 /nfs/dbraw/zinc/13/00/23/420130023.db2.gz AZKZFMDKDFRDSQ-HKUMRIAESA-N 2 0 267.373 -0.192 20 0 CBADRP CCO[C@@H]1CN(C(=O)COC2(C)C[NH2+]C2)C[C@H]1C[NH3+] ZINC000653247694 420130150 /nfs/dbraw/zinc/13/01/50/420130150.db2.gz NMXADNMTCCWDPH-GHMZBOCLSA-N 2 0 271.361 -0.813 20 0 CBADRP CCO[C@@H]1CN(C(=O)C2(OC)CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000653243685 420130317 /nfs/dbraw/zinc/13/03/17/420130317.db2.gz JYESXJDAJRXLSW-VXGBXAGGSA-N 2 0 285.388 -0.423 20 0 CBADRP C[C@@H]1CCCN(C(=O)CNC(=O)C[NH3+])[C@H]1CC[NH3+] ZINC000653240925 420130342 /nfs/dbraw/zinc/13/03/42/420130342.db2.gz VHLCCJUGAJXHTR-ZJUUUORDSA-N 2 0 256.350 -0.963 20 0 CBADRP CCO[C@@H]1CN(C(=O)COC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000653248566 420130399 /nfs/dbraw/zinc/13/03/99/420130399.db2.gz XCFVYBHNWQKXTG-DGCLKSJQSA-N 2 0 285.388 -0.423 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)C[C@H]1C[NH3+] ZINC000653247947 420130466 /nfs/dbraw/zinc/13/04/66/420130466.db2.gz YXMPGTMMZADIJO-DDHJBXDOSA-N 2 0 255.362 -0.193 20 0 CBADRP COCC[C@]1(C(=O)NCC[NH2+]C2CC2)CC[NH2+]C1 ZINC000368451743 420132044 /nfs/dbraw/zinc/13/20/44/420132044.db2.gz URZGWECTBBJNKQ-CYBMUJFWSA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000368435116 420132180 /nfs/dbraw/zinc/13/21/80/420132180.db2.gz RADWFMNNHQXQGH-SDDRHHMPSA-N 2 0 255.362 -0.300 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCC1CC[NH2+]CC1 ZINC000653272533 420134452 /nfs/dbraw/zinc/13/44/52/420134452.db2.gz SISAUDZHVYTEGN-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NCCC1CC[NH2+]CC1 ZINC000653272309 420134725 /nfs/dbraw/zinc/13/47/25/420134725.db2.gz IFSKMOJXRRYNHH-LBPRGKRZSA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CCC[C@H]2CO)C1=O ZINC000653285495 420137365 /nfs/dbraw/zinc/13/73/65/420137365.db2.gz QJEWGMUTPXYFGP-RYUDHWBXSA-N 2 0 283.372 -0.478 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NCCC1(C[NH3+])CC1)C1CC1 ZINC000652675171 420070806 /nfs/dbraw/zinc/07/08/06/420070806.db2.gz PKFRKJCOJZYPPE-UHFFFAOYSA-N 2 0 282.388 -0.558 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)NCC2C[NH2+]C2)cn1 ZINC000652612079 420071055 /nfs/dbraw/zinc/07/10/55/420071055.db2.gz HPPPQKDEDPGACE-UHFFFAOYSA-N 2 0 266.349 -0.214 20 0 CBADRP C[NH2+]CCNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000652612474 420071228 /nfs/dbraw/zinc/07/12/28/420071228.db2.gz SQPGSRAHTSIYPU-UHFFFAOYSA-N 2 0 254.338 -0.214 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000652693784 420071747 /nfs/dbraw/zinc/07/17/47/420071747.db2.gz DQVHHFOIHAKOFR-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652696061 420072109 /nfs/dbraw/zinc/07/21/09/420072109.db2.gz FOEITNDNVFYMIF-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000652705588 420074840 /nfs/dbraw/zinc/07/48/40/420074840.db2.gz KTZINKBIXZBYGF-CYBMUJFWSA-N 2 0 298.431 -0.112 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652714856 420077206 /nfs/dbraw/zinc/07/72/06/420077206.db2.gz TWQHNROESVLJCN-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652713844 420077340 /nfs/dbraw/zinc/07/73/40/420077340.db2.gz YHBZYXRZHULIHG-GFCCVEGCSA-N 2 0 296.415 -0.168 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000652731502 420080077 /nfs/dbraw/zinc/08/00/77/420080077.db2.gz MDXMUQKXRZVFON-LBPRGKRZSA-N 2 0 282.388 -0.510 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC[NH2+]1 ZINC000652732911 420080124 /nfs/dbraw/zinc/08/01/24/420080124.db2.gz WHJFFYKVASUZJW-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP C[NH+](C)CCN1CCN(C(=O)C2CC[NH+](C)CC2)CC1=O ZINC000652735838 420080633 /nfs/dbraw/zinc/08/06/33/420080633.db2.gz VJLQHICJRVIAOF-UHFFFAOYSA-N 2 0 296.415 -0.439 20 0 CBADRP C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000366347196 420082862 /nfs/dbraw/zinc/08/28/62/420082862.db2.gz NPTJKNQEXFDGID-SDDRHHMPSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)[C@@H]1C[NH2+]CCO1 ZINC000366347458 420083619 /nfs/dbraw/zinc/08/36/19/420083619.db2.gz OKGHVMDJEDLBJJ-IHRRRGAJSA-N 2 0 297.399 -0.408 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000366558621 420088303 /nfs/dbraw/zinc/08/83/03/420088303.db2.gz WIGSKSKQKJITLE-LPEHRKFASA-N 2 0 261.366 -0.102 20 0 CBADRP COCC[C@@]1(C(=O)N2CCC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000370726365 420184701 /nfs/dbraw/zinc/18/47/01/420184701.db2.gz BHIOQVKPSKQDAT-AAEUAGOBSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1C[NH3+] ZINC000397248497 420216422 /nfs/dbraw/zinc/21/64/22/420216422.db2.gz BSECIBNWLWCBTO-WOPDTQHZSA-N 2 0 294.399 -0.111 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654661255 420189124 /nfs/dbraw/zinc/18/91/24/420189124.db2.gz VNYXWAPKMQWVRK-MBNYWOFBSA-N 2 0 286.420 -0.062 20 0 CBADRP C[NH+](C)CC(C)(C)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000654657293 420189874 /nfs/dbraw/zinc/18/98/74/420189874.db2.gz IICOAFDSFIACOU-LBPRGKRZSA-N 2 0 268.405 -0.167 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654664813 420190846 /nfs/dbraw/zinc/19/08/46/420190846.db2.gz VLPPZVXNEGYPDL-RFQIPJPRSA-N 2 0 296.415 -0.213 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)n1 ZINC000375252756 420192357 /nfs/dbraw/zinc/19/23/57/420192357.db2.gz MGOXHRDZQIKFPH-BXUZGUMPSA-N 2 0 277.372 0.383 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000375833409 420193981 /nfs/dbraw/zinc/19/39/81/420193981.db2.gz HMLPIDUTAVTVSO-MCIONIFRSA-N 2 0 297.399 -0.578 20 0 CBADRP C[C@@H](CC[NH+](C)C)NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000386630090 420202363 /nfs/dbraw/zinc/20/23/63/420202363.db2.gz PFYILYPVRCDVHJ-WDEREUQCSA-N 2 0 279.406 -0.766 20 0 CBADRP C[C@@H](CC[NH+](C)C)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000386630061 420202670 /nfs/dbraw/zinc/20/26/70/420202670.db2.gz PFYILYPVRCDVHJ-QWRGUYRKSA-N 2 0 279.406 -0.766 20 0 CBADRP CC[NH+](CC)CCCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000388375623 420204135 /nfs/dbraw/zinc/20/41/35/420204135.db2.gz MKZYJDQCMLJFFD-GFCCVEGCSA-N 2 0 293.433 -0.374 20 0 CBADRP C[NH+](C)[C@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000388502742 420204178 /nfs/dbraw/zinc/20/41/78/420204178.db2.gz HPACNBVQCDCKHO-RYUDHWBXSA-N 2 0 291.417 -0.669 20 0 CBADRP CC[C@H]([NH3+])c1cn(C[C@H](O)C[N@H+](C)CCOC)nn1 ZINC000388776460 420205597 /nfs/dbraw/zinc/20/55/97/420205597.db2.gz MPJAQGATCMHSNM-MNOVXSKESA-N 2 0 271.365 -0.373 20 0 CBADRP C[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)C1CC[NH+](C)CC1 ZINC000396446368 420211953 /nfs/dbraw/zinc/21/19/53/420211953.db2.gz CMUHWOHPAOEGRY-JQWIXIFHSA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)C1CC[NH+](C)CC1 ZINC000396458353 420212926 /nfs/dbraw/zinc/21/29/26/420212926.db2.gz OIHBRQMSWUMCFN-DZGCQCFKSA-N 2 0 285.432 -0.001 20 0 CBADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1C[NH3+] ZINC000397248492 420215178 /nfs/dbraw/zinc/21/51/78/420215178.db2.gz BSECIBNWLWCBTO-GRYCIOLGSA-N 2 0 294.399 -0.111 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](C(C)(C)CO)CC1 ZINC000653580210 420149048 /nfs/dbraw/zinc/14/90/48/420149048.db2.gz CTUUKTQVUFKFNC-ZDUSSCGKSA-N 2 0 273.421 -0.313 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](C)[C@H](C)[C@@H]1C ZINC000653596935 420151786 /nfs/dbraw/zinc/15/17/86/420151786.db2.gz UMVHSMDSJZPZEQ-RDBSUJKOSA-N 2 0 273.421 -0.050 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654408728 420178616 /nfs/dbraw/zinc/17/86/16/420178616.db2.gz GASJZPIMMAZDAJ-RWMBFGLXSA-N 2 0 284.404 -0.213 20 0 CBADRP CN(C)S(=O)(=O)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400982834 420222227 /nfs/dbraw/zinc/22/22/27/420222227.db2.gz UZZSTJYAESHPFY-GRYCIOLGSA-N 2 0 275.418 -0.145 20 0 CBADRP COCC[N@H+](C)C[C@H](O)Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000405075885 420225853 /nfs/dbraw/zinc/22/58/53/420225853.db2.gz JPABICXJVCOPKO-OLZOCXBDSA-N 2 0 297.403 -0.316 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCC(=O)N1CCOCC1 ZINC000404765652 420227181 /nfs/dbraw/zinc/22/71/81/420227181.db2.gz MFDQHCQGQSGHMX-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP CC1(C)[C@H]([NH2+]CCC(=O)N2CCOCC2)C[C@@H]1[NH3+] ZINC000404765655 420227456 /nfs/dbraw/zinc/22/74/56/420227456.db2.gz MFDQHCQGQSGHMX-WDEREUQCSA-N 2 0 255.362 -0.049 20 0 CBADRP CCO[C@@H]1CN([C@H](C)C(=O)NCCCOC)C[C@H]1C[NH3+] ZINC000405475880 420228720 /nfs/dbraw/zinc/22/87/20/420228720.db2.gz WCBOUJXGQRQUCP-JHJVBQTASA-N 2 0 287.404 -0.177 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000415209410 420239919 /nfs/dbraw/zinc/23/99/19/420239919.db2.gz GUEZIRQSGLAOIW-NSHDSACASA-N 2 0 282.392 0.550 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655297680 420240213 /nfs/dbraw/zinc/24/02/13/420240213.db2.gz PIRAXXOQBPKMMF-NWDGAFQWSA-N 2 0 255.362 -0.394 20 0 CBADRP CN(C(=O)C[NH2+]C[C@@H]1CCCO1)[C@H](C[NH3+])C1CC1 ZINC000417828022 420242299 /nfs/dbraw/zinc/24/22/99/420242299.db2.gz FAXRAHURRYYHTC-NWDGAFQWSA-N 2 0 255.362 -0.049 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000419107307 420242902 /nfs/dbraw/zinc/24/29/02/420242902.db2.gz PMJYXMAPYXKBRD-GHMZBOCLSA-N 2 0 282.388 -0.417 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418932231 420243132 /nfs/dbraw/zinc/24/31/32/420243132.db2.gz HQHWWZOMYQQNJC-AVGNSLFASA-N 2 0 298.431 -0.053 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)CC[NH2+]C ZINC000418929561 420243231 /nfs/dbraw/zinc/24/32/31/420243231.db2.gz FPAFFDOUEILCKY-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418936849 420243364 /nfs/dbraw/zinc/24/33/64/420243364.db2.gz KLGUYPVXWSPIMX-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000419018928 420244048 /nfs/dbraw/zinc/24/40/48/420244048.db2.gz CWJSEIRSCAHGGD-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419692761 420244727 /nfs/dbraw/zinc/24/47/27/420244727.db2.gz HFHZYSUGKVLRCS-NWDGAFQWSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419415103 420245166 /nfs/dbraw/zinc/24/51/66/420245166.db2.gz FUAJRLZFTCBJDR-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000419835538 420246473 /nfs/dbraw/zinc/24/64/73/420246473.db2.gz VESAFQSATNHGRR-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655414229 420246997 /nfs/dbraw/zinc/24/69/97/420246997.db2.gz HDYHMWAYNUQXEJ-UKRRQHHQSA-N 2 0 280.416 -0.260 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000419987128 420247067 /nfs/dbraw/zinc/24/70/67/420247067.db2.gz CYJXUGFZEPWYOE-RYUDHWBXSA-N 2 0 284.404 -0.219 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000419962052 420247276 /nfs/dbraw/zinc/24/72/76/420247276.db2.gz UUDCCMUJNYIGCF-LBPRGKRZSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@H]2CCC[NH2+]C2)CCO1 ZINC000655419211 420248624 /nfs/dbraw/zinc/24/86/24/420248624.db2.gz OPMUIDNGFHSMGT-QJPTWQEYSA-N 2 0 255.362 -0.049 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655449747 420250186 /nfs/dbraw/zinc/25/01/86/420250186.db2.gz NTKRLVHLLMZBAE-NFAWXSAZSA-N 2 0 280.416 -0.262 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)CCO1 ZINC000655453683 420251301 /nfs/dbraw/zinc/25/13/01/420251301.db2.gz NTKIOKAMTQQFGJ-WZRBSPASSA-N 2 0 253.346 -0.438 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000422972990 420255822 /nfs/dbraw/zinc/25/58/22/420255822.db2.gz NJSQPEVSPQMDLB-XQQFMLRXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)[C@@H](C)C[NH2+]1 ZINC000423652225 420256901 /nfs/dbraw/zinc/25/69/01/420256901.db2.gz NDEPQBBYVUVOTP-RYUDHWBXSA-N 2 0 296.415 -0.252 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC[NH2+]1 ZINC000423571707 420257693 /nfs/dbraw/zinc/25/76/93/420257693.db2.gz WKPIXBINSAVPQP-XQQFMLRXSA-N 2 0 294.399 -0.641 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC[NH2+]1 ZINC000423571705 420257810 /nfs/dbraw/zinc/25/78/10/420257810.db2.gz WKPIXBINSAVPQP-AVGNSLFASA-N 2 0 294.399 -0.641 20 0 CBADRP [NH3+]C[C@H](NC(=O)C[NH2+]C[C@H]1CCCO1)C(F)(F)F ZINC000655505286 420259761 /nfs/dbraw/zinc/25/97/61/420259761.db2.gz VHUXIRDZGMNBSD-SFYZADRCSA-N 2 0 269.267 -0.239 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC[NH2+]C1 ZINC000655518657 420262362 /nfs/dbraw/zinc/26/23/62/420262362.db2.gz JBUKFESAOPYIAK-IONNQARKSA-N 2 0 269.267 -0.382 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000430871500 420272508 /nfs/dbraw/zinc/27/25/08/420272508.db2.gz XXUAGMXGIBYDLE-LLVKDONJSA-N 2 0 253.350 0.367 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655916740 420275667 /nfs/dbraw/zinc/27/56/67/420275667.db2.gz HMLFQJBUNWXJHH-DTWKUNHWSA-N 2 0 298.309 -0.104 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655917325 420275947 /nfs/dbraw/zinc/27/59/47/420275947.db2.gz PMEUKCUXQKIKPM-DTWKUNHWSA-N 2 0 297.325 -0.579 20 0 CBADRP C[NH+]1CCC(O)(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655921432 420278444 /nfs/dbraw/zinc/27/84/44/420278444.db2.gz WXNFQIJNPSKWIL-QMMMGPOBSA-N 2 0 298.309 -0.368 20 0 CBADRP C[NH+]1CCC(O)(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655921431 420278549 /nfs/dbraw/zinc/27/85/49/420278549.db2.gz WXNFQIJNPSKWIL-MRVPVSSYSA-N 2 0 298.309 -0.368 20 0 CBADRP [NH3+][C@@H](CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000655965345 420283909 /nfs/dbraw/zinc/28/39/09/420283909.db2.gz RXXYTPMFRXXVFZ-TUAOUCFPSA-N 2 0 268.361 -0.816 20 0 CBADRP CS(=O)(=O)N1CC[C@@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000400194167 420220116 /nfs/dbraw/zinc/22/01/16/420220116.db2.gz NWCVTJLQQDMGQZ-LLVKDONJSA-N 2 0 261.391 -0.391 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000399321098 420220405 /nfs/dbraw/zinc/22/04/05/420220405.db2.gz VGYWNMIDQYMEQA-UHFFFAOYSA-N 2 0 255.362 -0.223 20 0 CBADRP C[NH+]1CCN(Cc2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000656467900 420311758 /nfs/dbraw/zinc/31/17/58/420311758.db2.gz UADBYVSOCOIJSP-LBPRGKRZSA-N 2 0 250.350 -0.440 20 0 CBADRP C[NH+]1CCN(Cc2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000656468314 420311830 /nfs/dbraw/zinc/31/18/30/420311830.db2.gz KFGOERBKHQNHSQ-CYBMUJFWSA-N 2 0 264.377 -0.050 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCO[C@H]2CC2(F)F)CC1 ZINC000656706661 420320645 /nfs/dbraw/zinc/32/06/45/420320645.db2.gz CCZLDOPOVMLHDZ-NEPJUHHUSA-N 2 0 293.358 -0.392 20 0 CBADRP CCC[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)OC ZINC000516762505 420363548 /nfs/dbraw/zinc/36/35/48/420363548.db2.gz CCTXJVRJFAJPDD-ZIAGYGMSSA-N 2 0 273.421 -0.001 20 0 CBADRP C[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)N(C)C ZINC000516761405 420363594 /nfs/dbraw/zinc/36/35/94/420363594.db2.gz DAWMPJFTTQBEHZ-STQMWFEESA-N 2 0 258.410 -0.866 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673518554 544875925 /nfs/dbraw/zinc/87/59/25/544875925.db2.gz CKBPJZIITTXMSU-STQMWFEESA-N 2 0 269.389 -0.004 20 0 CBADRP CCC[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)OC ZINC000516762503 420363669 /nfs/dbraw/zinc/36/36/69/420363669.db2.gz CCTXJVRJFAJPDD-KGLIPLIRSA-N 2 0 273.421 -0.001 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cn1cncn1 ZINC000657881516 420364147 /nfs/dbraw/zinc/36/41/47/420364147.db2.gz OTGSQEYUXRKRCP-OLZOCXBDSA-N 2 0 266.393 -0.108 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)C[NH+]1CCN(C)CC1 ZINC000509337680 420357853 /nfs/dbraw/zinc/35/78/53/420357853.db2.gz KTROCPHSLZQNCQ-MJBXVCDLSA-N 2 0 298.431 -0.508 20 0 CBADRP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000516067859 420361023 /nfs/dbraw/zinc/36/10/23/420361023.db2.gz KPIYXEPRWXOQMX-NSHDSACASA-N 2 0 256.394 -0.229 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656021707 420292995 /nfs/dbraw/zinc/29/29/95/420292995.db2.gz HFWZGZQFBSGFJG-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000656022029 420293338 /nfs/dbraw/zinc/29/33/38/420293338.db2.gz SBOXKTPCYXDJIJ-LPWJVIDDSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000656024769 420293608 /nfs/dbraw/zinc/29/36/08/420293608.db2.gz QFQFHGWOUUOMHR-WCQGTBRESA-N 2 0 282.388 -0.704 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000656023033 420293616 /nfs/dbraw/zinc/29/36/16/420293616.db2.gz RSAQTNBXYPZJFQ-RWMBFGLXSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656021608 420293730 /nfs/dbraw/zinc/29/37/30/420293730.db2.gz CYGZRVHKSIRYHT-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656022001 420294010 /nfs/dbraw/zinc/29/40/10/420294010.db2.gz RHBDHGWGYHAGJZ-TUAOUCFPSA-N 2 0 282.388 -0.417 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000656043070 420294445 /nfs/dbraw/zinc/29/44/45/420294445.db2.gz YLQAQGDKXSQAOW-TXEJJXNPSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656028451 420294963 /nfs/dbraw/zinc/29/49/63/420294963.db2.gz LFUWPVUAOZWIRU-AGIUHOORSA-N 2 0 296.415 -0.075 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000656028503 420295404 /nfs/dbraw/zinc/29/54/04/420295404.db2.gz LXEKPCQESZATBP-JHJVBQTASA-N 2 0 294.399 -0.321 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656028060 420295478 /nfs/dbraw/zinc/29/54/78/420295478.db2.gz IBGQHDGKBNBTEI-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP COCC1(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000656155009 420300606 /nfs/dbraw/zinc/30/06/06/420300606.db2.gz FKMDYMYWNASUBZ-ZDUSSCGKSA-N 2 0 271.405 -0.389 20 0 CBADRP C[C@]1(F)C[NH2+]CCN(CCC(=O)N2CC[NH2+]CC2)C1 ZINC000516970830 420368648 /nfs/dbraw/zinc/36/86/48/420368648.db2.gz CHQGLGVRFKETDQ-ZDUSSCGKSA-N 2 0 272.368 -0.558 20 0 CBADRP CC[NH+](CC)CCO[C@@H]1CCN([C@H]2CC(=O)NC2=O)C1 ZINC000517167962 420372625 /nfs/dbraw/zinc/37/26/25/420372625.db2.gz DFGGHYZRNYGUDT-NEPJUHHUSA-N 2 0 283.372 -0.166 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000517570252 420377280 /nfs/dbraw/zinc/37/72/80/420377280.db2.gz VMDXBBXMSPFEOF-UMNHJUIQSA-N 2 0 270.377 -0.800 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000517565208 420377628 /nfs/dbraw/zinc/37/76/28/420377628.db2.gz UPLCSHPEQHWUME-VXGBXAGGSA-N 2 0 284.404 -0.040 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000519654810 420385974 /nfs/dbraw/zinc/38/59/74/420385974.db2.gz VWRQQBMAUMHLLX-RYUDHWBXSA-N 2 0 253.346 -0.282 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000519710965 420386947 /nfs/dbraw/zinc/38/69/47/420386947.db2.gz IEEVHIXPRMIWMQ-OCCSQVGLSA-N 2 0 266.389 -0.508 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000519714292 420388094 /nfs/dbraw/zinc/38/80/94/420388094.db2.gz OZEVSLBLXJJCPO-UTLUCORTSA-N 2 0 257.334 -0.524 20 0 CBADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NCC[NH2+]CCOC ZINC000519755346 420389088 /nfs/dbraw/zinc/38/90/88/420389088.db2.gz AXHJVHDOXJHGKP-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP CC[C@@H](CNC(=O)[C@H](C)[NH+](C)C)NC(=O)[C@H](C)[NH+](C)C ZINC000674287573 544900925 /nfs/dbraw/zinc/90/09/25/544900925.db2.gz GHMUZMFAOABUMO-SRVKXCTJSA-N 2 0 286.420 -0.102 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NCCC[NH+]2CCCC2)nn1 ZINC000516865575 420366314 /nfs/dbraw/zinc/36/63/14/420366314.db2.gz PZSAHJYOEWBHNG-UHFFFAOYSA-N 2 0 280.376 -0.157 20 0 CBADRP C[C@H]1CCCN(C(=O)c2cn(CC[NH3+])nn2)[C@H]1C[NH3+] ZINC000659291188 420407065 /nfs/dbraw/zinc/40/70/65/420407065.db2.gz OUWXVTIAQSWWSK-ONGXEEELSA-N 2 0 266.349 -0.564 20 0 CBADRP C[C@H]1CN(C(=O)c2cn(CC[NH3+])nn2)C[C@H](C)[NH2+]1 ZINC000659297397 420409078 /nfs/dbraw/zinc/40/90/78/420409078.db2.gz VPHSUHZPKYMLHY-IUCAKERBSA-N 2 0 252.322 -0.941 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000659329263 420412561 /nfs/dbraw/zinc/41/25/61/420412561.db2.gz GFQFHQWYXDIZPY-BQBZGAKWSA-N 2 0 257.256 -0.256 20 0 CBADRP C[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC000675921168 544936534 /nfs/dbraw/zinc/93/65/34/544936534.db2.gz WAGPRNNMTKBYKN-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659452078 420420590 /nfs/dbraw/zinc/42/05/90/420420590.db2.gz LFKXDEGMMDCKQF-DNOWBOINSA-N 2 0 295.431 -0.327 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659453277 420420983 /nfs/dbraw/zinc/42/09/83/420420983.db2.gz JCANZXJSRCEANO-MBHSVXNSSA-N 2 0 281.404 -0.717 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000659461154 420421734 /nfs/dbraw/zinc/42/17/34/420421734.db2.gz XFHRJMXYRRKUNF-STQMWFEESA-N 2 0 285.436 -0.223 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659457277 420421953 /nfs/dbraw/zinc/42/19/53/420421953.db2.gz DIFHUUUXULWPSA-LXVYMNJGSA-N 2 0 282.388 -0.242 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)NCC[N@H+](C)CCCOC ZINC000659458990 420422290 /nfs/dbraw/zinc/42/22/90/420422290.db2.gz BLMVWPURVJCIEO-LLVKDONJSA-N 2 0 260.382 -0.138 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](CC(N)=O)C2)CC1 ZINC000676881420 544965318 /nfs/dbraw/zinc/96/53/18/544965318.db2.gz XXZMVCLICRJTPV-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCCC[NH2+]C2CC2)n1 ZINC000659506288 420424196 /nfs/dbraw/zinc/42/41/96/420424196.db2.gz OEHADVZURBKXNY-UHFFFAOYSA-N 2 0 294.359 -0.418 20 0 CBADRP [NH3+]C1(CNC(=O)NCCCN2CC[NH2+]CC2)CCCC1 ZINC000659506587 420424332 /nfs/dbraw/zinc/42/43/32/420424332.db2.gz VTUWSBYJAVVKHF-UHFFFAOYSA-N 2 0 283.420 -0.148 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)NCC2([NH3+])CCCC2)CCO1 ZINC000659574808 420434557 /nfs/dbraw/zinc/43/45/57/420434557.db2.gz FWOHRQQJGWXNKT-JTQLQIEISA-N 2 0 256.350 -0.373 20 0 CBADRP [NH3+]C1(CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCCC1 ZINC000659575273 420435233 /nfs/dbraw/zinc/43/52/33/420435233.db2.gz KZRFEKJTCBERKZ-ZDUSSCGKSA-N 2 0 295.431 -0.053 20 0 CBADRP C[C@@H](C(=O)N(C)CCN(C)C(=O)[C@H](C)[NH+](C)C)[NH+](C)C ZINC000677935136 545008545 /nfs/dbraw/zinc/00/85/45/545008545.db2.gz YAGLSRQRAHLXLU-RYUDHWBXSA-N 2 0 286.420 -0.197 20 0 CBADRP CC[N@@H+]1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C[C@H]1C ZINC000677930643 545008957 /nfs/dbraw/zinc/00/89/57/545008957.db2.gz DLVDKGZCELXIML-ZIAGYGMSSA-N 2 0 280.416 -0.071 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)N1CCOC2(C[NH2+]C2)C1 ZINC000659612842 420437092 /nfs/dbraw/zinc/43/70/92/420437092.db2.gz XDRSSCVDATXBHV-UHFFFAOYSA-N 2 0 266.345 -0.878 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)NCC12CC(C1)C[NH2+]2 ZINC000659505882 420424885 /nfs/dbraw/zinc/42/48/85/420424885.db2.gz HQBFXKAJRVRWNQ-UHFFFAOYSA-N 2 0 281.404 -0.667 20 0 CBADRP COCC1(C(=O)NC[C@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000376560190 230254550 /nfs/dbraw/zinc/25/45/50/230254550.db2.gz CWFFLBNOPBPBGK-LLVKDONJSA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000376652506 230257106 /nfs/dbraw/zinc/25/71/06/230257106.db2.gz RADWFMNNHQXQGH-QJPTWQEYSA-N 2 0 255.362 -0.300 20 0 CBADRP O=C(NCCCC[NH+]1CCOCC1)[C@@]1(F)CC[NH2+]C1 ZINC000376693624 230258205 /nfs/dbraw/zinc/25/82/05/230258205.db2.gz BPIIQBYRJQEDEU-CYBMUJFWSA-N 2 0 273.352 -0.083 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659523723 420428695 /nfs/dbraw/zinc/42/86/95/420428695.db2.gz NMLBGNVYUGXRBH-VIFPVBQESA-N 2 0 296.375 -0.042 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659527914 420429150 /nfs/dbraw/zinc/42/91/50/420429150.db2.gz YAUMLOJDBYHMOP-LLVKDONJSA-N 2 0 287.408 -0.757 20 0 CBADRP CCS(=O)(=O)NCCN(C)CCC[NH+](C)C ZINC000679369479 545027249 /nfs/dbraw/zinc/02/72/49/545027249.db2.gz WMDBNCJBDREMOI-UHFFFAOYSA-N 2 0 251.396 -0.191 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC1([NH3+])CCC1 ZINC000659528951 420429659 /nfs/dbraw/zinc/42/96/59/420429659.db2.gz GQSUJYBPJHACFP-UHFFFAOYSA-N 2 0 299.419 -0.471 20 0 CBADRP COCC[NH2+]CCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659528869 420430172 /nfs/dbraw/zinc/43/01/72/420430172.db2.gz VDIFWMMTXBYVLS-UHFFFAOYSA-N 2 0 256.350 -0.726 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000659537956 420431524 /nfs/dbraw/zinc/43/15/24/420431524.db2.gz MYVKVUTYBFEQGQ-DTWKUNHWSA-N 2 0 294.359 -0.290 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000659548079 420432242 /nfs/dbraw/zinc/43/22/42/420432242.db2.gz DQLVNIHWLGXDJF-QWKFWESOSA-N 2 0 268.361 -0.502 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000659555232 420433151 /nfs/dbraw/zinc/43/31/51/420433151.db2.gz PFDGCOZWZPFLFO-YZRBJQDESA-N 2 0 254.334 -0.893 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000659556547 420433713 /nfs/dbraw/zinc/43/37/13/420433713.db2.gz ZAXSPJRGODCPTH-GHMZBOCLSA-N 2 0 258.366 -0.353 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000680834141 545040788 /nfs/dbraw/zinc/04/07/88/545040788.db2.gz BJKJNZPJAMNHAZ-DZGCQCFKSA-N 2 0 296.415 -0.164 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000680827760 545040802 /nfs/dbraw/zinc/04/08/02/545040802.db2.gz LSLILCLCGWFOOF-YPMHNXCESA-N 2 0 255.362 -0.347 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000659552929 420433760 /nfs/dbraw/zinc/43/37/60/420433760.db2.gz GWEUOEOVIFGOPE-NEPJUHHUSA-N 2 0 270.377 -0.242 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000659754288 420468104 /nfs/dbraw/zinc/46/81/04/420468104.db2.gz DFQFLOVGUYQTPZ-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000659752638 420468493 /nfs/dbraw/zinc/46/84/93/420468493.db2.gz KVKFOPUXLQRXRC-QWRGUYRKSA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@@H](C(=O)NCC1(NC(=O)[C@H](C)[NH+](C)C)CC1)[NH+](C)C ZINC000683656113 545066572 /nfs/dbraw/zinc/06/65/72/545066572.db2.gz BQNVPUDUUGPXLN-QWRGUYRKSA-N 2 0 284.404 -0.348 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)C[NH2+]C)[C@H](C)C1 ZINC000659756360 420469072 /nfs/dbraw/zinc/46/90/72/420469072.db2.gz QWDBZSJAGTWYKO-UPJWGTAASA-N 2 0 298.431 -0.101 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000659755220 420469574 /nfs/dbraw/zinc/46/95/74/420469574.db2.gz JLJWJVWYAVGLAZ-AVGNSLFASA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H]1CN(CCO)CCN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659613466 420437692 /nfs/dbraw/zinc/43/76/92/420437692.db2.gz HOKPKIVOYMRNMU-DCBWTQNWSA-N 2 0 282.388 -0.554 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000659609993 420437786 /nfs/dbraw/zinc/43/77/86/420437786.db2.gz FUWSAQSJARAZLG-MRFPXMQZSA-N 2 0 280.372 -0.801 20 0 CBADRP C[C@@H]1CN(CCO)CCN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659613467 420437985 /nfs/dbraw/zinc/43/79/85/420437985.db2.gz HOKPKIVOYMRNMU-LKSINWNRSA-N 2 0 282.388 -0.554 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000659618239 420438215 /nfs/dbraw/zinc/43/82/15/420438215.db2.gz DYTXIQFGRUBZKG-GHMZBOCLSA-N 2 0 258.366 -0.271 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)[C@@H](C)C1 ZINC000659615319 420438595 /nfs/dbraw/zinc/43/85/95/420438595.db2.gz YSBQFTGAKJTNGO-HJZMNPPUSA-N 2 0 296.415 -0.165 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659615485 420439251 /nfs/dbraw/zinc/43/92/51/420439251.db2.gz BLTBHEGHPRDTAF-YDGIUTOCSA-N 2 0 270.377 -0.650 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000659639050 420441296 /nfs/dbraw/zinc/44/12/96/420441296.db2.gz JINMSPMXOJKFJF-OLZOCXBDSA-N 2 0 285.436 -0.081 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659636244 420441774 /nfs/dbraw/zinc/44/17/74/420441774.db2.gz OHVUOWUDKAZLPP-LLVKDONJSA-N 2 0 287.408 -0.744 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000659641858 420443377 /nfs/dbraw/zinc/44/33/77/420443377.db2.gz IVBASZYJVLMYLN-NEPJUHHUSA-N 2 0 299.419 -0.377 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000659648564 420443661 /nfs/dbraw/zinc/44/36/61/420443661.db2.gz TXLWTFYWAIXLCF-JTQLQIEISA-N 2 0 258.366 -0.650 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N(CCOC)CC[NH+](C)C ZINC000659643003 420443719 /nfs/dbraw/zinc/44/37/19/420443719.db2.gz HINWCLVKOUSLQE-NSHDSACASA-N 2 0 260.382 -0.186 20 0 CBADRP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659676016 420446354 /nfs/dbraw/zinc/44/63/54/420446354.db2.gz CVVBFRIITDCRNC-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)NCCn2ccnc2)CCCC1 ZINC000659676274 420446925 /nfs/dbraw/zinc/44/69/25/420446925.db2.gz CPPRSUKQGRMSKY-UHFFFAOYSA-N 2 0 279.344 -0.613 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000659681361 420447275 /nfs/dbraw/zinc/44/72/75/420447275.db2.gz GVXVEPRNCOBZOH-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000659681540 420447566 /nfs/dbraw/zinc/44/75/66/420447566.db2.gz JKZIEYARILBCKH-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659679876 420447576 /nfs/dbraw/zinc/44/75/76/420447576.db2.gz GLXQFGVSJORDDK-NSHDSACASA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC[N@@H+]1C ZINC000659677666 420447957 /nfs/dbraw/zinc/44/79/57/420447957.db2.gz GUQKGFMDOPWMGG-WDEREUQCSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)CC[N@@H+]1C ZINC000659677645 420447998 /nfs/dbraw/zinc/44/79/98/420447998.db2.gz GLSJREAZQJUQAP-RYUDHWBXSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659685974 420448908 /nfs/dbraw/zinc/44/89/08/420448908.db2.gz ARGNZJMLYMQNAB-SNVBAGLBSA-N 2 0 272.393 -0.362 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000659686547 420449317 /nfs/dbraw/zinc/44/93/17/420449317.db2.gz GFEOLVRIAPOHSY-NWDGAFQWSA-N 2 0 286.420 -0.068 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000659694215 420450702 /nfs/dbraw/zinc/45/07/02/420450702.db2.gz RTVJNSHKLSVEEQ-MNOVXSKESA-N 2 0 296.415 -0.077 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000659694216 420450804 /nfs/dbraw/zinc/45/08/04/420450804.db2.gz RTVJNSHKLSVEEQ-QWRGUYRKSA-N 2 0 296.415 -0.077 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000659701769 420451967 /nfs/dbraw/zinc/45/19/67/420451967.db2.gz JJRUSAQFYPBOIY-SRVKXCTJSA-N 2 0 282.388 -0.547 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000659699524 420452011 /nfs/dbraw/zinc/45/20/11/420452011.db2.gz WIXCFAMYRQQDGV-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659698246 420452198 /nfs/dbraw/zinc/45/21/98/420452198.db2.gz DCPRKAJTORWKGX-XIKARTHZSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000659704342 420452558 /nfs/dbraw/zinc/45/25/58/420452558.db2.gz KJLDWITVKLBMDW-PWSUYJOCSA-N 2 0 282.388 -0.689 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659705146 420452863 /nfs/dbraw/zinc/45/28/63/420452863.db2.gz VGDCRDCYCUJEOD-QWRGUYRKSA-N 2 0 282.388 -0.689 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659706049 420453135 /nfs/dbraw/zinc/45/31/35/420453135.db2.gz FBIVHZPUEOTBHT-UHFFFAOYSA-N 2 0 282.388 -0.687 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000659708220 420453707 /nfs/dbraw/zinc/45/37/07/420453707.db2.gz PYDWPSJYBLWANE-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000659708998 420454222 /nfs/dbraw/zinc/45/42/22/420454222.db2.gz CSGAHXLKHFQWMT-GFCCVEGCSA-N 2 0 286.420 -0.055 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000659709269 420454346 /nfs/dbraw/zinc/45/43/46/420454346.db2.gz GMMMKCZGUFOFAE-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH3+])C1 ZINC000659709652 420454454 /nfs/dbraw/zinc/45/44/54/420454454.db2.gz JRBFHMPKDJNZTD-SECBINFHSA-N 2 0 256.350 -0.950 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000659711777 420455016 /nfs/dbraw/zinc/45/50/16/420455016.db2.gz ASJLCKVFPKCBEU-RYUDHWBXSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659710057 420455026 /nfs/dbraw/zinc/45/50/26/420455026.db2.gz LKTGPMPPEWMUHM-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH3+])C1 ZINC000659710511 420455053 /nfs/dbraw/zinc/45/50/53/420455053.db2.gz ROZYIDPMKDTNNG-JTQLQIEISA-N 2 0 256.350 -0.948 20 0 CBADRP Nc1ncc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)s1 ZINC000572000758 420455476 /nfs/dbraw/zinc/45/54/76/420455476.db2.gz QDMZTNCXICPGNS-VIFPVBQESA-N 2 0 283.401 0.012 20 0 CBADRP Nc1ncc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)s1 ZINC000572000755 420455624 /nfs/dbraw/zinc/45/56/24/420455624.db2.gz QDMZTNCXICPGNS-SECBINFHSA-N 2 0 283.401 0.012 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659718213 420457667 /nfs/dbraw/zinc/45/76/67/420457667.db2.gz MRXPAXKYQXUZLG-MNOVXSKESA-N 2 0 284.404 -0.314 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000659718022 420457791 /nfs/dbraw/zinc/45/77/91/420457791.db2.gz LKECKIRAJIJQLN-NEPJUHHUSA-N 2 0 284.404 -0.314 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000659717503 420458066 /nfs/dbraw/zinc/45/80/66/420458066.db2.gz HZTOQQIQGZDDGY-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000659720865 420459566 /nfs/dbraw/zinc/45/95/66/420459566.db2.gz FXLNHBOFOKGJOB-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@]2(C)CCC[NH2+]2)n1 ZINC000574574992 420460740 /nfs/dbraw/zinc/46/07/40/420460740.db2.gz KDVZKVBOCMSBHM-ZDUSSCGKSA-N 2 0 265.361 0.525 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000659731469 420461082 /nfs/dbraw/zinc/46/10/82/420461082.db2.gz HICQLBWHNLMLKO-STQMWFEESA-N 2 0 294.399 -0.449 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])C1 ZINC000659729691 420461352 /nfs/dbraw/zinc/46/13/52/420461352.db2.gz TUMCILMMKIHNCS-TUAOUCFPSA-N 2 0 284.404 -0.171 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659738161 420463257 /nfs/dbraw/zinc/46/32/57/420463257.db2.gz AULKNIXDFWQWIK-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659738510 420463404 /nfs/dbraw/zinc/46/34/04/420463404.db2.gz FGAMJZCUDBYXJR-MQYJIDSJSA-N 2 0 294.399 -0.545 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)C1 ZINC000659738290 420463570 /nfs/dbraw/zinc/46/35/70/420463570.db2.gz DHIJTGZELJVVQH-XQQFMLRXSA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[NH2+]C)C2)C1 ZINC000659738304 420463696 /nfs/dbraw/zinc/46/36/96/420463696.db2.gz DMMIOZPRDLNDDE-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000659738178 420463810 /nfs/dbraw/zinc/46/38/10/420463810.db2.gz BEEVMHMUEKHYQL-GHMZBOCLSA-N 2 0 268.361 -0.854 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000659739431 420464389 /nfs/dbraw/zinc/46/43/89/420464389.db2.gz UJQAZWWGEJQLAY-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000659739617 420464851 /nfs/dbraw/zinc/46/48/51/420464851.db2.gz XUDSXONZICERBV-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659749015 420466439 /nfs/dbraw/zinc/46/64/39/420466439.db2.gz DIPBMIPXMAWUCD-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC000659879523 420475593 /nfs/dbraw/zinc/47/55/93/420475593.db2.gz VXJJNNJMMBJBPP-CYBMUJFWSA-N 2 0 294.399 -0.638 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000517738845 260000659 /nfs/dbraw/zinc/00/06/59/260000659.db2.gz FWNSAOXJHAQHNS-LLVKDONJSA-N 2 0 256.394 -0.358 20 0 CBADRP COC[C@]1(C(=O)N2CCC3(CC[NH2+]3)CC2)CC[NH2+]C1 ZINC000517738930 260000762 /nfs/dbraw/zinc/00/07/62/260000762.db2.gz HKDASOLPINFEQY-ZDUSSCGKSA-N 2 0 267.373 -0.033 20 0 CBADRP O=C(CCN1CCC[C@H]2C[NH2+]C[C@H]21)N1CC[NH2+]CC1 ZINC000521044867 260069112 /nfs/dbraw/zinc/06/91/12/260069112.db2.gz AMCMQDLLCRCULP-QWHCGFSZSA-N 2 0 266.389 -0.508 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](CC[NH3+])C(F)F)C1 ZINC000517922592 260318972 /nfs/dbraw/zinc/31/89/72/260318972.db2.gz LCSUCAYRAKEDKJ-XLPZGREQSA-N 2 0 251.277 -0.538 20 0 CBADRP CO[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C1CC1 ZINC000518365677 260383358 /nfs/dbraw/zinc/38/33/58/260383358.db2.gz LIUMLVPJUIHEMU-KBPBESRZSA-N 2 0 271.405 -0.391 20 0 CBADRP CO[C@H](C)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000518965197 265253435 /nfs/dbraw/zinc/25/34/35/265253435.db2.gz KEAFXDRLJVHXFS-OLZOCXBDSA-N 2 0 259.394 -0.391 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000518997448 265287814 /nfs/dbraw/zinc/28/78/14/265287814.db2.gz XKOXPMUBEKZMLM-CYBMUJFWSA-N 2 0 268.405 -0.308 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC[C@@H]1CCC[NH2+]C1 ZINC000519641346 265510891 /nfs/dbraw/zinc/51/08/91/265510891.db2.gz GNTYWDRZBDHYFV-QWHCGFSZSA-N 2 0 296.415 -0.249 20 0 CBADRP C[NH+](C)CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000130585656 269566426 /nfs/dbraw/zinc/56/64/26/269566426.db2.gz MTVODLXVJBWNFY-NSHDSACASA-N 2 0 270.377 -0.926 20 0 CBADRP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000518497438 269599068 /nfs/dbraw/zinc/59/90/68/269599068.db2.gz XXSSUUXJIAWFLT-CHWSQXEVSA-N 2 0 283.420 -0.327 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)C[C@@H]1[NH+](C)C ZINC000529376424 269632751 /nfs/dbraw/zinc/63/27/51/269632751.db2.gz QTAUJGAEFTUEPX-WOPDTQHZSA-N 2 0 270.377 -0.434 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000418948798 276106944 /nfs/dbraw/zinc/10/69/44/276106944.db2.gz QWLIRFFELHRROW-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000419015783 276176054 /nfs/dbraw/zinc/17/60/54/276176054.db2.gz FAJFRFVVHGYCJG-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C[NH+](C)C)C2)CC1 ZINC000359318063 276199758 /nfs/dbraw/zinc/19/97/58/276199758.db2.gz VGHDEFOPXIEKTP-ZDUSSCGKSA-N 2 0 268.405 -0.214 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000418936783 276332699 /nfs/dbraw/zinc/33/26/99/276332699.db2.gz KIIGOPWIZFRGQX-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000424171763 277182243 /nfs/dbraw/zinc/18/22/43/277182243.db2.gz JKYOEAKKCKRVSX-FRRDWIJNSA-N 2 0 267.373 -0.083 20 0 CBADRP COCCC[N@@H+]1CCCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000375961407 277206925 /nfs/dbraw/zinc/20/69/25/277206925.db2.gz BSESCTHCQNLKFQ-CQSZACIVSA-N 2 0 299.415 -0.064 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343995336 277264732 /nfs/dbraw/zinc/26/47/32/277264732.db2.gz YPAAMQCFTRONAG-ZNMIVQPWSA-N 2 0 285.432 -0.049 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000373172381 277328471 /nfs/dbraw/zinc/32/84/71/277328471.db2.gz IXWSRCLZBUAVIM-FIQHERPVSA-N 2 0 255.362 -0.064 20 0 CBADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000419698564 277387737 /nfs/dbraw/zinc/38/77/37/277387737.db2.gz PUIBVYIDUDFUJA-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)CCC[N@@H+]1C ZINC000419563764 278083623 /nfs/dbraw/zinc/08/36/23/278083623.db2.gz WWQMKZNZWLFUNB-ADEWGFFLSA-N 2 0 282.388 -0.561 20 0 CBADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000333565176 278221163 /nfs/dbraw/zinc/22/11/63/278221163.db2.gz LVSUFIOFHQXKPW-WDEREUQCSA-N 2 0 255.362 -0.131 20 0 CBADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000430689285 278221541 /nfs/dbraw/zinc/22/15/41/278221541.db2.gz CXKDLQTVOLLHOR-VXGBXAGGSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000418699118 278229748 /nfs/dbraw/zinc/22/97/48/278229748.db2.gz NSWWBSQLXWVKON-SRVKXCTJSA-N 2 0 272.393 -0.132 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C[C@@H](C)[NH2+]1 ZINC000423245143 278629850 /nfs/dbraw/zinc/62/98/50/278629850.db2.gz YEHSBFQPQCHQCZ-UPJWGTAASA-N 2 0 296.415 -0.252 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000362498157 288083889 /nfs/dbraw/zinc/08/38/89/288083889.db2.gz KWVHNSRQILSNJS-OLZOCXBDSA-N 2 0 296.415 -0.584 20 0 CBADRP CC(C)C[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)[NH+](C)C ZINC000040831319 278988373 /nfs/dbraw/zinc/98/83/73/278988373.db2.gz CAUVCDGWAKUWBP-SDDRHHMPSA-N 2 0 257.378 -0.198 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000419734798 279104950 /nfs/dbraw/zinc/10/49/50/279104950.db2.gz PLGQLAPJPUDZES-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000418948797 279114188 /nfs/dbraw/zinc/11/41/88/279114188.db2.gz QWLIRFFELHRROW-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000418956837 279114509 /nfs/dbraw/zinc/11/45/09/279114509.db2.gz ZLDUJOLJNAWXSP-VXGBXAGGSA-N 2 0 286.420 -0.068 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)CCC[N@@H+]1C ZINC000419562613 279119500 /nfs/dbraw/zinc/11/95/00/279119500.db2.gz VIRYKIAQZHASQR-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000357926951 279124466 /nfs/dbraw/zinc/12/44/66/279124466.db2.gz LAGUPQXSNQJIGA-RWMBFGLXSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000423058291 279148431 /nfs/dbraw/zinc/14/84/31/279148431.db2.gz JDSQSSDHHODKIM-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000423611169 279148641 /nfs/dbraw/zinc/14/86/41/279148641.db2.gz RWZVOMNMOGYCNR-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419786064 279155335 /nfs/dbraw/zinc/15/53/35/279155335.db2.gz UBGCAEFDNOIQGX-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)C[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)[NH+](C)C ZINC000040831320 279161346 /nfs/dbraw/zinc/16/13/46/279161346.db2.gz CAUVCDGWAKUWBP-GRYCIOLGSA-N 2 0 257.378 -0.198 20 0 CBADRP CC(C)C[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[NH+](C)C ZINC000226825318 279161400 /nfs/dbraw/zinc/16/14/00/279161400.db2.gz CAUVCDGWAKUWBP-IJLUTSLNSA-N 2 0 257.378 -0.198 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000423660607 279166225 /nfs/dbraw/zinc/16/62/25/279166225.db2.gz GJRQXVVRTMLBEF-OLZOCXBDSA-N 2 0 296.415 -0.121 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C)C[NH3+])C1CC1 ZINC000419524846 279190641 /nfs/dbraw/zinc/19/06/41/279190641.db2.gz QLEYEAOKRGDFHM-JTQLQIEISA-N 2 0 270.377 -0.702 20 0 CBADRP CC(C)C[C@](C)(C[NH3+])NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351538749 279235611 /nfs/dbraw/zinc/23/56/11/279235611.db2.gz SDRHANYVORRYAE-BXUZGUMPSA-N 2 0 284.404 -0.266 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420064438 279284315 /nfs/dbraw/zinc/28/43/15/279284315.db2.gz ORVADDYOYPCVJR-GFCCVEGCSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000333606926 279285466 /nfs/dbraw/zinc/28/54/66/279285466.db2.gz XKYXJZGUUXXGRL-LBPRGKRZSA-N 2 0 270.377 -0.288 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419838005 279308070 /nfs/dbraw/zinc/30/80/70/279308070.db2.gz DUSYNTNSJNCURI-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[N@H+](C)C1CC1 ZINC000419593585 279325635 /nfs/dbraw/zinc/32/56/35/279325635.db2.gz SWONVFZZQQDSIX-IJLUTSLNSA-N 2 0 296.415 -0.206 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357932598 288122779 /nfs/dbraw/zinc/12/27/79/288122779.db2.gz QKMZOZNJYHMRAW-HKWIRBFKSA-N 2 0 253.346 -0.692 20 0 CBADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418246701 279367869 /nfs/dbraw/zinc/36/78/69/279367869.db2.gz UGZAKOCVHLNFCU-OLZOCXBDSA-N 2 0 285.436 -0.082 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419333497 288126221 /nfs/dbraw/zinc/12/62/21/288126221.db2.gz MGDOFNUKSBUJBS-NTZNESFSSA-N 2 0 294.399 -0.594 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419338008 288126271 /nfs/dbraw/zinc/12/62/71/288126271.db2.gz RRFQAWYDHDNRNA-NTZNESFSSA-N 2 0 294.399 -0.547 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000419885530 279499166 /nfs/dbraw/zinc/49/91/66/279499166.db2.gz HJIUSLJDBMRVQT-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000419815743 279510516 /nfs/dbraw/zinc/51/05/16/279510516.db2.gz HWRUKROZCUMPEL-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000368124660 280069273 /nfs/dbraw/zinc/06/92/73/280069273.db2.gz IRBVGBWUPHHYMM-STQMWFEESA-N 2 0 268.405 -0.358 20 0 CBADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000353443036 280069883 /nfs/dbraw/zinc/06/98/83/280069883.db2.gz BXDNTHXWUOUPBI-IHRRRGAJSA-N 2 0 282.432 -0.018 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419527457 280097030 /nfs/dbraw/zinc/09/70/30/280097030.db2.gz VBVCQSDMHUHJKW-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]1[C@@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CCC[N@@H+]1C ZINC000419566271 280103608 /nfs/dbraw/zinc/10/36/08/280103608.db2.gz ZSQVZLCUBRQFJX-RYUDHWBXSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CC[N@@H+]1C[C@@H](C)O ZINC000262367727 280351551 /nfs/dbraw/zinc/35/15/51/280351551.db2.gz LGQXAQBOIDTFTO-MGPQQGTHSA-N 2 0 299.415 -0.332 20 0 CBADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000430689284 281000035 /nfs/dbraw/zinc/00/00/35/281000035.db2.gz CXKDLQTVOLLHOR-RYUDHWBXSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000094460006 288303703 /nfs/dbraw/zinc/30/37/03/288303703.db2.gz YQOCELAMSDVQCB-WYUUTHIRSA-N 2 0 253.346 -0.596 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000365333670 288311226 /nfs/dbraw/zinc/31/12/26/288311226.db2.gz YQOCELAMSDVQCB-NOOOWODRSA-N 2 0 253.346 -0.596 20 0 CBADRP C[NH+](C)C/C=C\C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000491905304 282022691 /nfs/dbraw/zinc/02/26/91/282022691.db2.gz MGGCEUOQRLXIPP-DJFZKKHWSA-N 2 0 282.388 -0.440 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418796249 282064209 /nfs/dbraw/zinc/06/42/09/282064209.db2.gz DOLPZCCLDQYAPI-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000333830322 289037248 /nfs/dbraw/zinc/03/72/48/289037248.db2.gz MLSIMJOHJKOLAE-FRRDWIJNSA-N 2 0 284.404 -0.165 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)CCO1 ZINC000423764962 289200801 /nfs/dbraw/zinc/20/08/01/289200801.db2.gz WIKCYYJHAPDHEE-VXGBXAGGSA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000337710181 289205572 /nfs/dbraw/zinc/20/55/72/289205572.db2.gz BEOHJOMJRVQVSE-FZMZJTMJSA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351860182 289271281 /nfs/dbraw/zinc/27/12/81/289271281.db2.gz HTEPZOICXRNCRQ-UMSGYPCISA-N 2 0 296.415 -0.232 20 0 CBADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442785817 289271710 /nfs/dbraw/zinc/27/17/10/289271710.db2.gz YLGNLIZEYSPMMH-FDYHWXHSSA-N 2 0 296.415 -0.232 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000418665854 289370488 /nfs/dbraw/zinc/37/04/88/289370488.db2.gz DAOCPRQVYXSAPN-NNYUYHANSA-N 2 0 252.362 -0.060 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000355250617 289467250 /nfs/dbraw/zinc/46/72/50/289467250.db2.gz DXFLKHJZILEJSB-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419422241 289560865 /nfs/dbraw/zinc/56/08/65/289560865.db2.gz MJBLARSBJVNACN-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C[NH+]1CCCC1 ZINC000217951323 289683760 /nfs/dbraw/zinc/68/37/60/289683760.db2.gz QHQUOAUCUVXRAR-IJLUTSLNSA-N 2 0 255.362 -0.443 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C1(C[NH3+])CCCC1 ZINC000068805650 290035507 /nfs/dbraw/zinc/03/55/07/290035507.db2.gz PRUJXNHQIKYVMN-GFCCVEGCSA-N 2 0 268.405 -0.133 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000449698968 290061065 /nfs/dbraw/zinc/06/10/65/290061065.db2.gz PDMUVIHFSZDAEK-BZPMIXESSA-N 2 0 268.405 -0.086 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000449699542 290062557 /nfs/dbraw/zinc/06/25/57/290062557.db2.gz QCWQEEVRQXYJER-WCQYABFASA-N 2 0 254.378 -0.462 20 0 CBADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424141057 290083569 /nfs/dbraw/zinc/08/35/69/290083569.db2.gz GPOHHGJGZOTZIX-UHTWSYAYSA-N 2 0 269.389 -0.115 20 0 CBADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCOCC[NH3+])CC1 ZINC000357079765 290085111 /nfs/dbraw/zinc/08/51/11/290085111.db2.gz LLUYATAWLSGDTP-ZDUSSCGKSA-N 3 0 273.421 -0.014 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000333813741 290096685 /nfs/dbraw/zinc/09/66/85/290096685.db2.gz JULOVMGDHLFFRR-RWMBFGLXSA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000418347327 290099078 /nfs/dbraw/zinc/09/90/78/290099078.db2.gz CZTIEBFMYDWUEP-GRYCIOLGSA-N 2 0 270.377 -0.555 20 0 CBADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(=O)NC(N)=O)C2)C1 ZINC000429011398 290187411 /nfs/dbraw/zinc/18/74/11/290187411.db2.gz SHRFWTUGHOBZMI-GFCCVEGCSA-N 2 0 254.334 -0.401 20 0 CBADRP COC[C@]1(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC[NH2+]C1 ZINC000417846438 293270194 /nfs/dbraw/zinc/27/01/94/293270194.db2.gz UBBOMNFJDDOTIQ-GVXVVHGQSA-N 2 0 255.362 -0.179 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000353472328 294410199 /nfs/dbraw/zinc/41/01/99/294410199.db2.gz STDNZHABKPRSTG-QWHCGFSZSA-N 2 0 285.388 -0.469 20 0 CBADRP [NH3+]C1(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C2CC3CC(C2)CC1C3 ZINC000424043013 295208573 /nfs/dbraw/zinc/20/85/73/295208573.db2.gz MKGQQGPFSKXOIM-ODNBDLGWSA-N 2 0 293.411 -0.021 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000364475280 295234279 /nfs/dbraw/zinc/23/42/79/295234279.db2.gz BCMBVYFWXNRFJU-OLZOCXBDSA-N 2 0 296.415 -0.168 20 0 CBADRP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000331682989 295251902 /nfs/dbraw/zinc/25/19/02/295251902.db2.gz UJIWPUCHGMWWNV-XQQFMLRXSA-N 2 0 294.399 -0.321 20 0 CBADRP NS(=O)(=O)C[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261950831 295283740 /nfs/dbraw/zinc/28/37/40/295283740.db2.gz NZTNDMZDKDJXMB-LBPRGKRZSA-N 2 0 275.418 -0.014 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000424216509 295299078 /nfs/dbraw/zinc/29/90/78/295299078.db2.gz IKDKPRPXYGODCA-GMTAPVOTSA-N 2 0 268.361 -0.759 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000419700614 295317875 /nfs/dbraw/zinc/31/78/75/295317875.db2.gz XUDSSVAZZRNEHG-NEPJUHHUSA-N 2 0 294.399 -0.321 20 0 CBADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCCN1CC[NH2+]CC1 ZINC000449083326 295333250 /nfs/dbraw/zinc/33/32/50/295333250.db2.gz SWKJCRUJMQZBQK-OLZOCXBDSA-N 2 0 268.405 -0.085 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NCC[NH+]1CCSCC1 ZINC000230936038 295548985 /nfs/dbraw/zinc/54/89/85/295548985.db2.gz ZYHQUMSDQRAGOC-NSHDSACASA-N 2 0 273.402 -0.470 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238080334 295648173 /nfs/dbraw/zinc/64/81/73/295648173.db2.gz HQWZPMKHLHDLSG-IHRRRGAJSA-N 2 0 280.416 -0.072 20 0 CBADRP O=C(NCCNc1cc[nH+]cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000418803684 295649646 /nfs/dbraw/zinc/64/96/46/295649646.db2.gz YUUQEFNEZULAAG-ZDUSSCGKSA-N 2 0 293.371 -0.407 20 0 CBADRP C[C@@H]1C[C@@H](C)N(C(=O)COC2C[NH2+]C2)C[C@H]1C[NH3+] ZINC000424051308 297233619 /nfs/dbraw/zinc/23/36/19/297233619.db2.gz IZYBUFSOXLHLRG-GMTAPVOTSA-N 2 0 255.362 -0.193 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)C[N@@H+]1C1CC1 ZINC000333294659 297275020 /nfs/dbraw/zinc/27/50/20/297275020.db2.gz IDSAWHMVLODELS-WZRBSPASSA-N 2 0 282.388 -0.019 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333695458 297538664 /nfs/dbraw/zinc/53/86/64/297538664.db2.gz QELOOSIXBYPPLH-IHRRRGAJSA-N 2 0 295.431 -0.184 20 0 CBADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442785819 298037967 /nfs/dbraw/zinc/03/79/67/298037967.db2.gz YLGNLIZEYSPMMH-LPWJVIDDSA-N 2 0 296.415 -0.232 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419419927 298557483 /nfs/dbraw/zinc/55/74/83/298557483.db2.gz JILHMTVHXXZPQN-DGCLKSJQSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCCC[NH3+])C[NH+]1CCCCC1 ZINC000419829671 298679141 /nfs/dbraw/zinc/67/91/41/298679141.db2.gz FBSNOOJMABSCMJ-GFCCVEGCSA-N 2 0 284.404 -0.310 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000362868557 300225250 /nfs/dbraw/zinc/22/52/50/300225250.db2.gz QFRRDAWNTQQXIM-NWDGAFQWSA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333430221 300231588 /nfs/dbraw/zinc/23/15/88/300231588.db2.gz UKYMFWUVUNNATP-BQUFFADESA-N 2 0 282.388 -0.557 20 0 CBADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000418375721 300245949 /nfs/dbraw/zinc/24/59/49/300245949.db2.gz HXSQSXIBIYTZHY-RYUDHWBXSA-N 2 0 284.404 -0.165 20 0 CBADRP [NH3+]CCCC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000430794084 303374248 /nfs/dbraw/zinc/37/42/48/303374248.db2.gz OGKIJTUXKADOJP-LBPRGKRZSA-N 2 0 255.362 -0.094 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000364475283 303383006 /nfs/dbraw/zinc/38/30/06/303383006.db2.gz BCMBVYFWXNRFJU-STQMWFEESA-N 2 0 296.415 -0.168 20 0 CBADRP [NH3+][C@@H]1CC[C@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000377530882 303472916 /nfs/dbraw/zinc/47/29/16/303472916.db2.gz RTBLXSDJPZQWOL-XQQFMLRXSA-N 2 0 266.389 -0.380 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000368561131 303651762 /nfs/dbraw/zinc/65/17/62/303651762.db2.gz JZGAEQRMHZPWLV-JSGCOSHPSA-N 2 0 267.373 -0.033 20 0 CBADRP O=C(N1CC[C@H](C[NH+]2CCOCC2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000570724562 327614090 /nfs/dbraw/zinc/61/40/90/327614090.db2.gz DXULIMBOOGLQCK-NFAWXSAZSA-N 2 0 279.384 -0.081 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000582231365 328825684 /nfs/dbraw/zinc/82/56/84/328825684.db2.gz MUGSCBDLDIDSOI-VXGBXAGGSA-N 2 0 269.393 -0.587 20 0 CBADRP CC[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)[C@@H](O)C(C)C ZINC000563139327 327928766 /nfs/dbraw/zinc/92/87/66/327928766.db2.gz YURNXTYAHREZKY-ILXRZTDVSA-N 2 0 287.448 -0.020 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000563207196 327964448 /nfs/dbraw/zinc/96/44/48/327964448.db2.gz NWVRSYPODAECFM-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP CCC(CC)(C[NH3+])NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000583694282 329004587 /nfs/dbraw/zinc/00/45/87/329004587.db2.gz NMTQNLYUWVSYPA-JTQLQIEISA-N 2 0 270.377 -0.512 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000563451717 328066208 /nfs/dbraw/zinc/06/62/08/328066208.db2.gz MJTUVLCYPWNMCO-KXNHARMFSA-N 2 0 295.387 -0.933 20 0 CBADRP Cc1nccn1CCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563444004 328067017 /nfs/dbraw/zinc/06/70/17/328067017.db2.gz ZYLIKEGNSQOBAZ-STQMWFEESA-N 2 0 277.372 -0.175 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000563455975 328067828 /nfs/dbraw/zinc/06/78/28/328067828.db2.gz BRSSBHIIIXGGGG-QWHCGFSZSA-N 2 0 294.399 -0.449 20 0 CBADRP C[NH2+][C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1cnn(C)c1 ZINC000563531969 328072128 /nfs/dbraw/zinc/07/21/28/328072128.db2.gz DUZJBMGHJBYZMC-CHWSQXEVSA-N 2 0 295.387 -0.530 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000563534968 328072445 /nfs/dbraw/zinc/07/24/45/328072445.db2.gz MOLGKMMSUSJDCQ-ZJUUUORDSA-N 2 0 263.345 -0.080 20 0 CBADRP C[NH+](C)C1(CNC(=O)NCC(=O)N2CC[NH2+]CC2)CCC1 ZINC000563593721 328075492 /nfs/dbraw/zinc/07/54/92/328075492.db2.gz PKAPOOHSOQEEFI-UHFFFAOYSA-N 2 0 297.403 -0.798 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000563597507 328076177 /nfs/dbraw/zinc/07/61/77/328076177.db2.gz XSKWOPKYIXYZCX-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563595423 328076238 /nfs/dbraw/zinc/07/62/38/328076238.db2.gz HNAWFGVACPCDHM-VXGBXAGGSA-N 2 0 297.403 -0.671 20 0 CBADRP O=C(C[NH2+]C1CC1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000563622580 328078028 /nfs/dbraw/zinc/07/80/28/328078028.db2.gz HLNAYBAPWKXUSP-GFCCVEGCSA-N 2 0 294.399 -0.591 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000571149654 328088184 /nfs/dbraw/zinc/08/81/84/328088184.db2.gz MZDPUEWZLKNUGQ-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CC1(C[NH3+])CC1 ZINC000572838806 328096080 /nfs/dbraw/zinc/09/60/80/328096080.db2.gz NPUCZQXKBKGKNM-LBPRGKRZSA-N 2 0 268.405 -0.133 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000571346062 328113616 /nfs/dbraw/zinc/11/36/16/328113616.db2.gz XLIKSQNLXHEDKR-NSHDSACASA-N 2 0 268.361 -0.935 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCC[NH2+]C(C)(C)C ZINC000571520744 328131675 /nfs/dbraw/zinc/13/16/75/328131675.db2.gz MSPNFEBTQMFVGD-VIFPVBQESA-N 2 0 259.350 -0.229 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)C[C@H](C)[NH2+]1 ZINC000571558306 328133884 /nfs/dbraw/zinc/13/38/84/328133884.db2.gz UTQMANBFBPKNAL-PHIMTYICSA-N 2 0 280.376 -0.161 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCn2cccc2)CC1 ZINC000574982875 328234944 /nfs/dbraw/zinc/23/49/44/328234944.db2.gz OROSIFVUJGIARA-AWEZNQCLSA-N 2 0 266.389 -0.314 20 0 CBADRP C[C@@H](C(=O)N1CC[NH2+][C@@H](C)[C@H]1C)N1CCN(C)CC1 ZINC000575315747 335092656 /nfs/dbraw/zinc/09/26/56/335092656.db2.gz BFYULEMUWXQBTK-XQQFMLRXSA-N 2 0 268.405 -0.169 20 0 CBADRP C[C@@H]1CN(C(=O)COC2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000583497822 328584613 /nfs/dbraw/zinc/58/46/13/328584613.db2.gz JVBBVFDYBOENQS-MNOVXSKESA-N 2 0 255.362 -0.036 20 0 CBADRP [NH3+]C1(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCC1 ZINC000584052467 326908457 /nfs/dbraw/zinc/90/84/57/326908457.db2.gz LLFGHCPRNMEMEJ-SECBINFHSA-N 2 0 294.321 -0.180 20 0 CBADRP C[C@@H](CCC[NH3+])NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000568509618 327001278 /nfs/dbraw/zinc/00/12/78/327001278.db2.gz RCMOUFUURLAZBP-WDEREUQCSA-N 2 0 270.377 -0.512 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000568750019 327013920 /nfs/dbraw/zinc/01/39/20/327013920.db2.gz RNHXUNLXXQPTME-RDBSUJKOSA-N 3 0 280.416 -0.275 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000569337648 327031361 /nfs/dbraw/zinc/03/13/61/327031361.db2.gz LXXBAGHVYAZGKU-DGCLKSJQSA-N 2 0 253.346 -0.423 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000569337647 327031403 /nfs/dbraw/zinc/03/14/03/327031403.db2.gz LXXBAGHVYAZGKU-AAEUAGOBSA-N 2 0 253.346 -0.423 20 0 CBADRP CC(C)[C@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC[N@@H+]1C ZINC000584221967 327066290 /nfs/dbraw/zinc/06/62/90/327066290.db2.gz MJAVKGAISOAEIJ-UONOGXRCSA-N 2 0 297.447 -0.128 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC2(CC[NH2+]C2)CC1 ZINC000584230093 327070219 /nfs/dbraw/zinc/07/02/19/327070219.db2.gz KPLSUECYQJIABA-LBPRGKRZSA-N 2 0 294.399 -0.543 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000569338111 327075094 /nfs/dbraw/zinc/07/50/94/327075094.db2.gz AEODCUFKICCUSE-UWVGGRQHSA-N 2 0 256.350 -0.950 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000564450267 327098039 /nfs/dbraw/zinc/09/80/39/327098039.db2.gz HCMNKUSUZYQDEG-CMPLNLGQSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000569342912 327099231 /nfs/dbraw/zinc/09/92/31/327099231.db2.gz NLBVQMYUYGZIJK-WDEREUQCSA-N 2 0 270.377 -0.430 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2C[C@H](O)C2(C)C)CC1 ZINC000573324128 327135103 /nfs/dbraw/zinc/13/51/03/327135103.db2.gz HNCGZURZLYTQSY-UPJWGTAASA-N 2 0 271.405 -0.656 20 0 CBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000564923259 327149519 /nfs/dbraw/zinc/14/95/19/327149519.db2.gz NJOMFUZWZDVFGV-KGLIPLIRSA-N 2 0 299.415 -0.426 20 0 CBADRP COC[C@]1(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000566179889 327157878 /nfs/dbraw/zinc/15/78/78/327157878.db2.gz VZNYNQQPVYFLRM-HIFRSBDPSA-N 2 0 298.431 -0.635 20 0 CBADRP COC[C@]1(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000566179893 327157953 /nfs/dbraw/zinc/15/79/53/327157953.db2.gz VZNYNQQPVYFLRM-ZFWWWQNUSA-N 2 0 298.431 -0.635 20 0 CBADRP C[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)[N@H+](C)C1CC1 ZINC000564653381 327159987 /nfs/dbraw/zinc/15/99/87/327159987.db2.gz VFDZJKGKYBYSGS-JTQLQIEISA-N 2 0 280.376 -0.161 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000569357401 327162312 /nfs/dbraw/zinc/16/23/12/327162312.db2.gz JEXUURJVWHZJQH-OLZOCXBDSA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)c1cn(CCC[NH3+])nn1 ZINC000569360567 327163611 /nfs/dbraw/zinc/16/36/11/327163611.db2.gz BHSBBCQJEAOJBN-LLVKDONJSA-N 2 0 280.376 -0.159 20 0 CBADRP CCOC(=O)C1CCC(O)(C[NH2+]C[C@H](O)C[NH2+]C)CC1 ZINC000569456490 327179751 /nfs/dbraw/zinc/17/97/51/327179751.db2.gz IQEICHKUHADIOR-MBHSVXNSSA-N 2 0 288.388 -0.359 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCOCC2CC2)CC1 ZINC000569475937 327183138 /nfs/dbraw/zinc/18/31/38/327183138.db2.gz PBEKJZDKKYQIOA-AWEZNQCLSA-N 2 0 271.405 -0.389 20 0 CBADRP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@H]1C[NH2+]CCCO1 ZINC000569483228 327184348 /nfs/dbraw/zinc/18/43/48/327184348.db2.gz LRFWCXOSEDGETO-VXGBXAGGSA-N 2 0 255.362 -0.129 20 0 CBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)C3([NH3+])CCCCC3)CCN2C1=O ZINC000572617732 327196557 /nfs/dbraw/zinc/19/65/57/327196557.db2.gz GDWISRMOSZQLHV-QWRGUYRKSA-N 2 0 280.372 -0.582 20 0 CBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000564939817 327198918 /nfs/dbraw/zinc/19/89/18/327198918.db2.gz OTRLWSLDHSVNEV-VXGBXAGGSA-N 2 0 254.378 -0.604 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000569572853 327199391 /nfs/dbraw/zinc/19/93/91/327199391.db2.gz FOEIRFHLKIPAKG-GFCCVEGCSA-N 2 0 266.389 -0.603 20 0 CBADRP NC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000569576730 327200749 /nfs/dbraw/zinc/20/07/49/327200749.db2.gz CYDGAYZHMBRBDF-UWVGGRQHSA-N 2 0 254.334 -0.497 20 0 CBADRP C[C@H]1[NH2+]CCN(C(=O)c2cn(CCCC[NH3+])nn2)[C@@H]1C ZINC000569606196 327209765 /nfs/dbraw/zinc/20/97/65/327209765.db2.gz AMHLXGBODLIFPT-GHMZBOCLSA-N 2 0 280.376 -0.161 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)COC3C[NH2+]C3)C[C@H]21 ZINC000564950493 327256233 /nfs/dbraw/zinc/25/62/33/327256233.db2.gz FIEQQWAVOFIRPB-MVWJERBFSA-N 2 0 253.346 -0.439 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000573798096 327257921 /nfs/dbraw/zinc/25/79/21/327257921.db2.gz DKORDWBZRZMQDE-NWDGAFQWSA-N 2 0 257.378 -0.210 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000564956802 327263710 /nfs/dbraw/zinc/26/37/10/327263710.db2.gz VSWNTEXNWBPVHB-AEJSXWLSSA-N 2 0 257.334 -0.680 20 0 CBADRP C[C@@H]1CN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@H](C)[NH2+]1 ZINC000564969600 327290142 /nfs/dbraw/zinc/29/01/42/327290142.db2.gz VEHYTKCJDCSYDA-XQQFMLRXSA-N 2 0 268.405 -0.134 20 0 CBADRP CCC[C@@H](C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)[NH+](C)C ZINC000560565164 327325102 /nfs/dbraw/zinc/32/51/02/327325102.db2.gz NXDDMHCCIKOPDE-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000574564605 327349171 /nfs/dbraw/zinc/34/91/71/327349171.db2.gz HWVRXCUBLWQSCN-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000574564608 327349494 /nfs/dbraw/zinc/34/94/94/327349494.db2.gz HWVRXCUBLWQSCN-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP Cn1cncc1CCC[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000583449037 327372816 /nfs/dbraw/zinc/37/28/16/327372816.db2.gz ZFBKLAOGKOJKAA-HNNXBMFYSA-N 2 0 296.415 -0.022 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000561215561 327376213 /nfs/dbraw/zinc/37/62/13/327376213.db2.gz DFLHGBIZGLGONM-NSHDSACASA-N 2 0 271.409 -0.212 20 0 CBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000579468604 327376405 /nfs/dbraw/zinc/37/64/05/327376405.db2.gz HAKGYVDBJNYQDQ-LBPRGKRZSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@H](NC(=O)C1CC[NH+](C)CC1)C(=O)NCC[NH+](C)C ZINC000569623091 327383672 /nfs/dbraw/zinc/38/36/72/327383672.db2.gz JPLDCIVYTUXZDQ-NSHDSACASA-N 2 0 284.404 -0.489 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000566470921 327385704 /nfs/dbraw/zinc/38/57/04/327385704.db2.gz QLLIEVFQAHBAOQ-NWDGAFQWSA-N 2 0 255.362 -0.225 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566497212 327399585 /nfs/dbraw/zinc/39/95/85/327399585.db2.gz XZAWKCTVFFXOLV-YNEHKIRRSA-N 2 0 294.399 -0.369 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000569695796 327536685 /nfs/dbraw/zinc/53/66/85/327536685.db2.gz LVYRIAIUMRHJEC-YPMHNXCESA-N 2 0 284.404 -0.327 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000569838258 327550799 /nfs/dbraw/zinc/55/07/99/327550799.db2.gz PONCMLQMHDQJEF-NSHDSACASA-N 2 0 253.302 -0.064 20 0 CBADRP CCCN(C(=O)c1cn(CCC[NH3+])nn1)[C@H]1CC[NH2+]C1 ZINC000570079882 327567306 /nfs/dbraw/zinc/56/73/06/327567306.db2.gz UYZGSGZYXYNJGH-NSHDSACASA-N 2 0 280.376 -0.159 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000572750283 327573252 /nfs/dbraw/zinc/57/32/52/327573252.db2.gz AVHWIOXSMDPTMF-IUCAKERBSA-N 2 0 282.310 -0.467 20 0 CBADRP CCOC[C@H](O)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000570201927 327575424 /nfs/dbraw/zinc/57/54/24/327575424.db2.gz NNRDYHYHNYPZQP-CHWSQXEVSA-N 2 0 259.394 -0.391 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000570568951 327600856 /nfs/dbraw/zinc/60/08/56/327600856.db2.gz YEOCAVLRWBKHMZ-LBPRGKRZSA-N 2 0 283.372 -0.133 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C)[NH2+]C)CC1 ZINC000570580761 327601892 /nfs/dbraw/zinc/60/18/92/327601892.db2.gz DHUCDPKPTTYQNL-NEPJUHHUSA-N 2 0 256.394 -0.264 20 0 CBADRP [NH3+]CC[C@H]1CCCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000583692411 329002644 /nfs/dbraw/zinc/00/26/44/329002644.db2.gz AJZJXGMHWBJIDE-CHWSQXEVSA-N 2 0 296.415 -0.168 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)NCC[N@H+]1CC=CCC1 ZINC000392870867 329059553 /nfs/dbraw/zinc/05/95/53/329059553.db2.gz YNBBGQCKWNCFFG-GFCCVEGCSA-N 2 0 253.346 -0.257 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000582498346 329104183 /nfs/dbraw/zinc/10/41/83/329104183.db2.gz LEWNPXCXIJOLQY-NSHDSACASA-N 2 0 270.377 -0.737 20 0 CBADRP C[NH2+]CC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000582545804 329105161 /nfs/dbraw/zinc/10/51/61/329105161.db2.gz IMUCFHJUMSKTMN-WCQYABFASA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH2+]CC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000582545805 329105297 /nfs/dbraw/zinc/10/52/97/329105297.db2.gz IMUCFHJUMSKTMN-YPMHNXCESA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CCC[NH2+]1 ZINC000582665527 329121573 /nfs/dbraw/zinc/12/15/73/329121573.db2.gz JHRMIDDMDPEHHL-GHMZBOCLSA-N 2 0 268.361 -0.887 20 0 CBADRP COCC(C)(C)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000582720759 329130193 /nfs/dbraw/zinc/13/01/93/329130193.db2.gz FYGRYLVNYNWMRI-CYBMUJFWSA-N 2 0 273.421 -0.143 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000394849390 329153415 /nfs/dbraw/zinc/15/34/15/329153415.db2.gz BNRKDPRVZWEITH-ZYHUDNBSSA-N 2 0 254.378 -0.511 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000394849386 329153458 /nfs/dbraw/zinc/15/34/58/329153458.db2.gz BNRKDPRVZWEITH-PWSUYJOCSA-N 2 0 254.378 -0.511 20 0 CBADRP CN1CCN(C(=O)NC[C@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000582894793 329282360 /nfs/dbraw/zinc/28/23/60/329282360.db2.gz POCXMSLSSWLTAH-MNOVXSKESA-N 2 0 255.366 -0.977 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000583073929 329310446 /nfs/dbraw/zinc/31/04/46/329310446.db2.gz NMDOJFBCZDIACV-GFCCVEGCSA-N 2 0 299.419 -0.552 20 0 CBADRP O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1CC[C@H]1CC[NH2+]C1 ZINC000583082435 329311817 /nfs/dbraw/zinc/31/18/17/329311817.db2.gz WWNRIGBAEZUYDO-ZWNOBZJWSA-N 2 0 266.345 -0.340 20 0 CBADRP CC(C)(C)[NH2+]CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000583083466 329312110 /nfs/dbraw/zinc/31/21/10/329312110.db2.gz SMEAUHADRHXTIF-SNVBAGLBSA-N 2 0 270.377 -0.641 20 0 CBADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])C2)CC1 ZINC000583141780 329321412 /nfs/dbraw/zinc/32/14/12/329321412.db2.gz OTWZSLLKJDXKOQ-MJBXVCDLSA-N 2 0 280.416 -0.040 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)[C@@H]2C1 ZINC000583194023 329355787 /nfs/dbraw/zinc/35/57/87/329355787.db2.gz PZMZLZFWJPRTES-VXGBXAGGSA-N 2 0 294.399 -0.463 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000583202218 329361523 /nfs/dbraw/zinc/36/15/23/329361523.db2.gz HNLOKANVYCQAHC-IJLUTSLNSA-N 2 0 253.346 -0.425 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000583264194 329405756 /nfs/dbraw/zinc/40/57/56/329405756.db2.gz GOQOLLZBQOMIKC-DTWKUNHWSA-N 2 0 259.350 -0.244 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000583321304 329450788 /nfs/dbraw/zinc/45/07/88/329450788.db2.gz ZCYZDTPIFHHZMT-OLZOCXBDSA-N 2 0 268.405 -0.214 20 0 CBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)CCC3CC[NH2+]CC3)CCN2C1=O ZINC000584480901 329500137 /nfs/dbraw/zinc/50/01/37/329500137.db2.gz SCPKJQDPUMXZRH-STQMWFEESA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000571755030 329917566 /nfs/dbraw/zinc/91/75/66/329917566.db2.gz JPMRCYTVYRLFMX-SRVKXCTJSA-N 2 0 284.404 -0.184 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000572118274 329945880 /nfs/dbraw/zinc/94/58/80/329945880.db2.gz MVMRYTCVELECHD-AXFHLTTASA-N 2 0 271.361 -0.134 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000572156628 329950406 /nfs/dbraw/zinc/95/04/06/329950406.db2.gz UWVOVDJYZULFBR-GFCCVEGCSA-N 2 0 296.415 -0.181 20 0 CBADRP COC[C@]1(CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CCC[NH2+]1 ZINC000572361839 330002292 /nfs/dbraw/zinc/00/22/92/330002292.db2.gz BFPSZOXUCALBQX-FPMFFAJLSA-N 2 0 267.373 -0.129 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3C[C@@H]([NH3+])C3)C[C@H]2[NH3+])cn1 ZINC000572485303 330740773 /nfs/dbraw/zinc/74/07/73/330740773.db2.gz OKFVTTCMHLTLMX-ZDDJMSTPSA-N 2 0 263.345 -0.590 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)C1 ZINC000575409038 335101274 /nfs/dbraw/zinc/10/12/74/335101274.db2.gz CPHMAOSKBMOFHD-DGAVXFQQSA-N 2 0 297.399 -0.458 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)C1 ZINC000575409039 335101483 /nfs/dbraw/zinc/10/14/83/335101483.db2.gz CPHMAOSKBMOFHD-REWJHTLYSA-N 2 0 297.399 -0.458 20 0 CBADRP COC[C@@H](C(N)=O)[N@H+](C)CCCc1cncn1C ZINC000575427214 335102884 /nfs/dbraw/zinc/10/28/84/335102884.db2.gz MUEFVEVAGKKPET-NSHDSACASA-N 2 0 254.334 -0.215 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C[C@H]3CCCC[C@@H]3[NH3+])CCN2C1=O ZINC000575762804 335113139 /nfs/dbraw/zinc/11/31/39/335113139.db2.gz GWSRDKQZPUQWNY-FVCCEPFGSA-N 2 0 294.399 -0.336 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000566068832 334620019 /nfs/dbraw/zinc/62/00/19/334620019.db2.gz FWSVTRLROIGXPW-RDBSUJKOSA-N 2 0 271.405 -0.512 20 0 CBADRP CN1CCN(C(=O)CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000575803108 335116745 /nfs/dbraw/zinc/11/67/45/335116745.db2.gz DEUIRJUDYSBFCA-OAHLLOKOSA-N 3 0 280.416 -0.164 20 0 CBADRP COC(=O)C[C@H](N)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000572519573 333115214 /nfs/dbraw/zinc/11/52/14/333115214.db2.gz NAAYVKYRQDACEA-KKZNHRDASA-N 2 0 269.345 -0.382 20 0 CBADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CCC(=O)NC(N)=O)C1 ZINC000575861743 335124919 /nfs/dbraw/zinc/12/49/19/335124919.db2.gz HNJRIEXIZTZHPE-JTQLQIEISA-N 2 0 256.350 -0.107 20 0 CBADRP C[N@H+](C[C@H](O)CN[C@H](CO)C[NH+]1CCCCC1)C1CC1 ZINC000575988184 335138846 /nfs/dbraw/zinc/13/88/46/335138846.db2.gz AIPGDFRWJDEULA-DZGCQCFKSA-N 2 0 285.432 -0.122 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000576157919 335161976 /nfs/dbraw/zinc/16/19/76/335161976.db2.gz WGCLTCRECBHQRP-WDEREUQCSA-N 2 0 271.361 -0.133 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000576160435 335162574 /nfs/dbraw/zinc/16/25/74/335162574.db2.gz HFMXKYIUGBRPIK-GHMZBOCLSA-N 2 0 284.404 -0.171 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NCC1CC[NH+](C)CC1 ZINC000564325426 334102136 /nfs/dbraw/zinc/10/21/36/334102136.db2.gz SHNOEMZNWXAQME-JTQLQIEISA-N 2 0 257.334 -0.665 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000576277211 335181062 /nfs/dbraw/zinc/18/10/62/335181062.db2.gz UWRGMDDHYGTIHF-CABZTGNLSA-N 2 0 255.318 -0.911 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@@H](OC)[C@@H](OC)C1 ZINC000311451735 334219438 /nfs/dbraw/zinc/21/94/38/334219438.db2.gz JJUWWLAPZBXLDG-RWMBFGLXSA-N 2 0 276.377 -0.729 20 0 CBADRP [NH3+]CC1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000564655284 334514351 /nfs/dbraw/zinc/51/43/51/334514351.db2.gz HCRJJOBKTZPDKW-GFCCVEGCSA-N 2 0 255.362 -0.048 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000564793471 334520998 /nfs/dbraw/zinc/52/09/98/334520998.db2.gz ISWCMUUKQNHUDE-SECBINFHSA-N 2 0 254.338 -0.645 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000564840552 334523470 /nfs/dbraw/zinc/52/34/70/334523470.db2.gz QAEOZZGQNUVSOF-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000564922023 334528221 /nfs/dbraw/zinc/52/82/21/334528221.db2.gz DJLKGVKLGHVGMH-NEPJUHHUSA-N 2 0 268.405 -0.121 20 0 CBADRP C[NH2+][C@H](C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1cnn(C)c1 ZINC000564931284 334528838 /nfs/dbraw/zinc/52/88/38/334528838.db2.gz HACAPFICXHPZKP-RYDUCSDGSA-N 2 0 277.372 -0.124 20 0 CBADRP CCS(=O)(=O)NCCC[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000564971262 334531431 /nfs/dbraw/zinc/53/14/31/334531431.db2.gz UKPAUFGJOODCJL-LLVKDONJSA-N 2 0 263.407 -0.095 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000564954412 334530399 /nfs/dbraw/zinc/53/03/99/334530399.db2.gz MTXHJVIPFSPKEY-UUIJZJDISA-N 2 0 297.399 -0.377 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)CCCC[NH3+] ZINC000564995919 334533373 /nfs/dbraw/zinc/53/33/73/334533373.db2.gz QDSFOPVPXXEGMI-PWSUYJOCSA-N 2 0 272.393 -0.280 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000565364874 334556518 /nfs/dbraw/zinc/55/65/18/334556518.db2.gz OJXQPKUYLUAQHM-MIZYBKAJSA-N 2 0 271.361 -0.230 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000565716003 334590517 /nfs/dbraw/zinc/59/05/17/334590517.db2.gz YHWYYRRIZYWASE-QWHCGFSZSA-N 2 0 262.357 -0.294 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)O1 ZINC000566189694 334634284 /nfs/dbraw/zinc/63/42/84/334634284.db2.gz QLCBLNMLWXXNSN-WYUUTHIRSA-N 2 0 253.346 -0.297 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)O1 ZINC000566189692 334634289 /nfs/dbraw/zinc/63/42/89/334634289.db2.gz QLCBLNMLWXXNSN-QCNOEVLYSA-N 2 0 253.346 -0.297 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC000566203917 334635347 /nfs/dbraw/zinc/63/53/47/334635347.db2.gz XBZQJAYXSVJUBW-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000566212750 334636118 /nfs/dbraw/zinc/63/61/18/334636118.db2.gz VSSNNZNWKDWKOS-NQBHXWOUSA-N 2 0 255.362 -0.192 20 0 CBADRP C[C@]1(C[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000566229754 334637163 /nfs/dbraw/zinc/63/71/63/334637163.db2.gz MOAPDUFBLZMQRC-RYUDHWBXSA-N 2 0 275.418 -0.143 20 0 CBADRP CCCN(C(=O)[C@@H]([NH3+])CCC(=O)OC)[C@@H]1CC[NH2+]C1 ZINC000566237182 334637736 /nfs/dbraw/zinc/63/77/36/334637736.db2.gz MJTDNSNZQCCVSQ-MNOVXSKESA-N 2 0 271.361 -0.133 20 0 CBADRP CC[C@@]1(C(=O)N2CCC(O)(C[NH3+])CC2)CCC[NH2+]1 ZINC000566258925 334639542 /nfs/dbraw/zinc/63/95/42/334639542.db2.gz HYWWBAHRYOFOJN-ZDUSSCGKSA-N 2 0 255.362 -0.169 20 0 CBADRP CN(C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1CC[NH2+]C1 ZINC000566796830 334664588 /nfs/dbraw/zinc/66/45/88/334664588.db2.gz OFXAYTQIUADPKP-NWDGAFQWSA-N 2 0 254.378 -0.523 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000567063211 334677867 /nfs/dbraw/zinc/67/78/67/334677867.db2.gz RQHHZIJOGVTGGE-NWDGAFQWSA-N 2 0 297.403 -0.672 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(C(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000567109381 334681676 /nfs/dbraw/zinc/68/16/76/334681676.db2.gz CIUMMZPRQDWFHF-NWDGAFQWSA-N 2 0 255.362 -0.048 20 0 CBADRP COC1(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC[NH2+]CC1 ZINC000154014848 334685656 /nfs/dbraw/zinc/68/56/56/334685656.db2.gz ZYWLAQHKWKQVTK-QWRGUYRKSA-N 2 0 255.362 -0.036 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)C1(C[NH3+])CCCC1 ZINC000567227695 334695352 /nfs/dbraw/zinc/69/53/52/334695352.db2.gz YTINRVAOZKHLEY-NSHDSACASA-N 2 0 254.378 -0.475 20 0 CBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567615212 334740689 /nfs/dbraw/zinc/74/06/89/334740689.db2.gz QEYQJPNHENFVCO-RWMBFGLXSA-N 2 0 267.373 -0.443 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000567835533 334766516 /nfs/dbraw/zinc/76/65/16/334766516.db2.gz VAYRPWLHNKTPRA-OLZOCXBDSA-N 2 0 296.415 -0.360 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000567908165 334774523 /nfs/dbraw/zinc/77/45/23/334774523.db2.gz ZEKKIZCVOBPBKU-NHCYSSNCSA-N 2 0 270.377 -0.718 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCCC[NH2+]C1CC1 ZINC000567923071 334776101 /nfs/dbraw/zinc/77/61/01/334776101.db2.gz ZMMKZEWUYPKNPV-SNVBAGLBSA-N 2 0 257.334 -0.475 20 0 CBADRP C/C=C\C[C@H](CO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000568089331 334791157 /nfs/dbraw/zinc/79/11/57/334791157.db2.gz RLLWZPRRNLNQGI-TYHIMRJMSA-N 2 0 271.405 -0.489 20 0 CBADRP [NH3+]CC1(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCCC1 ZINC000568264936 334810225 /nfs/dbraw/zinc/81/02/25/334810225.db2.gz HRNQAPPRKPLROB-MNOVXSKESA-N 2 0 280.372 -0.724 20 0 CBADRP COC[C@@H](C)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000568383999 334821392 /nfs/dbraw/zinc/82/13/92/334821392.db2.gz RJZXLFVDPDDHKJ-QWHCGFSZSA-N 2 0 259.394 -0.533 20 0 CBADRP COC[C@@H](C)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000568384000 334821416 /nfs/dbraw/zinc/82/14/16/334821416.db2.gz RJZXLFVDPDDHKJ-STQMWFEESA-N 2 0 259.394 -0.533 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000568526333 334828919 /nfs/dbraw/zinc/82/89/19/334828919.db2.gz ALVKKSJVEJIYPR-FRRDWIJNSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000568629020 334833537 /nfs/dbraw/zinc/83/35/37/334833537.db2.gz UHECXFIEPSASJG-UTUOFQBUSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000568629021 334833567 /nfs/dbraw/zinc/83/35/67/334833567.db2.gz UHECXFIEPSASJG-WOPDTQHZSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000568745787 334838576 /nfs/dbraw/zinc/83/85/76/334838576.db2.gz BLQDTJQHZWJCEU-NSHDSACASA-N 2 0 254.378 -0.462 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000569204957 334861203 /nfs/dbraw/zinc/86/12/03/334861203.db2.gz ZYGNZPUSIOWUIR-GFCCVEGCSA-N 3 0 273.425 -0.142 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cn(CCC[NH3+])nn1 ZINC000569224957 334862212 /nfs/dbraw/zinc/86/22/12/334862212.db2.gz JCQPHWCYSJMSNV-VHSXEESVSA-N 2 0 266.349 -0.551 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000573117171 334909975 /nfs/dbraw/zinc/90/99/75/334909975.db2.gz FSVOXHPQHOZYBB-QJPTWQEYSA-N 2 0 253.346 -0.425 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN(C)CCNC(=O)N(C)C ZINC000576289212 335184232 /nfs/dbraw/zinc/18/42/32/335184232.db2.gz YETTWBNVZCJNJB-LLVKDONJSA-N 2 0 260.382 -0.498 20 0 CBADRP C[N@H+](C[C@H](O)CNC[C@H]1CCC[NH+]1CCCO)C1CC1 ZINC000576585167 335222488 /nfs/dbraw/zinc/22/24/88/335222488.db2.gz RQGZPTVXZGUNJW-HUUCEWRRSA-N 2 0 285.432 -0.122 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000576634778 335228424 /nfs/dbraw/zinc/22/84/24/335228424.db2.gz HZBFJTWBSWQTIY-IJLUTSLNSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000576695125 335235564 /nfs/dbraw/zinc/23/55/64/335235564.db2.gz GKTOXJRNNXENBH-UHFFFAOYSA-N 2 0 296.415 -0.120 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NCCC[C@H]2CCC[NH2+]2)nn1 ZINC000576696479 335235816 /nfs/dbraw/zinc/23/58/16/335235816.db2.gz SFADTZOYGDSVPS-LLVKDONJSA-N 2 0 280.376 -0.111 20 0 CBADRP C[C@]1(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000576703813 335237379 /nfs/dbraw/zinc/23/73/79/335237379.db2.gz RQYYDXHCSFPXKX-KBPBESRZSA-N 2 0 252.406 -0.035 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)CN1C1CC1 ZINC000576814613 335250410 /nfs/dbraw/zinc/25/04/10/335250410.db2.gz DUJKWXOXRGZBIB-NEPJUHHUSA-N 2 0 266.389 -0.367 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000576826869 335252904 /nfs/dbraw/zinc/25/29/04/335252904.db2.gz UYVMHOFSEUMBHC-GVXVVHGQSA-N 2 0 282.388 -0.846 20 0 CBADRP COC[C@@]1(CNC(=O)[C@@H]([NH3+])CCSC)CCC[NH2+]1 ZINC000576873042 335255253 /nfs/dbraw/zinc/25/52/53/335255253.db2.gz YSKSNSVUBZXMAZ-JQWIXIFHSA-N 2 0 275.418 -0.048 20 0 CBADRP COC[C@]1(CNC(=O)[C@@H]([NH3+])CCSC)CCC[NH2+]1 ZINC000576873038 335258397 /nfs/dbraw/zinc/25/83/97/335258397.db2.gz YSKSNSVUBZXMAZ-CMPLNLGQSA-N 2 0 275.418 -0.048 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000576947046 335268123 /nfs/dbraw/zinc/26/81/23/335268123.db2.gz HNELDLFEYJXZJC-STQMWFEESA-N 2 0 268.405 -0.038 20 0 CBADRP COC[C@@]1(C(=O)NCC2(COC)CC[NH2+]CC2)CC[NH2+]C1 ZINC000580542751 335268998 /nfs/dbraw/zinc/26/89/98/335268998.db2.gz VNHZAFLNQWNZNF-OAHLLOKOSA-N 2 0 299.415 -0.255 20 0 CBADRP C[C@H]1C[C@H](NC(=O)CN2CCNCC2=O)CC[N@@H+]1C ZINC000580560470 335281023 /nfs/dbraw/zinc/28/10/23/335281023.db2.gz HIYIAFSDOMRKRS-WDEREUQCSA-N 2 0 268.361 -0.983 20 0 CBADRP CC1CC[NH+](CCCNC(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000577085009 335297427 /nfs/dbraw/zinc/29/74/27/335297427.db2.gz SGJUYDYMUZNNJC-UHFFFAOYSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000577172008 335314476 /nfs/dbraw/zinc/31/44/76/335314476.db2.gz SSYMLSIXPUREOX-FOGDFJRCSA-N 2 0 280.376 -0.257 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000577200724 335321701 /nfs/dbraw/zinc/32/17/01/335321701.db2.gz WDDYFTFHNCFWIR-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)[NH+](C)C ZINC000577230288 335327324 /nfs/dbraw/zinc/32/73/24/335327324.db2.gz ZMBPSJJSEVSHGS-GHMZBOCLSA-N 2 0 272.393 -0.491 20 0 CBADRP CC(C)[C@H](C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[NH+](C)C ZINC000577232148 335327758 /nfs/dbraw/zinc/32/77/58/335327758.db2.gz XBTOBGWYDVHWFG-SDDRHHMPSA-N 2 0 282.388 -0.657 20 0 CBADRP CN1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000577371416 335342049 /nfs/dbraw/zinc/34/20/49/335342049.db2.gz BAJSVWQMNDXRLF-GHMZBOCLSA-N 3 0 272.418 -0.817 20 0 CBADRP CC1(C)CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC[NH2+]1 ZINC000577372890 335344077 /nfs/dbraw/zinc/34/40/77/335344077.db2.gz YCQQLCLVWMFKCC-NSHDSACASA-N 2 0 292.387 -0.146 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000577374985 335344443 /nfs/dbraw/zinc/34/44/43/335344443.db2.gz NYWUSSAQCQDDHW-NSHDSACASA-N 2 0 253.346 -0.282 20 0 CBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000577374859 335344484 /nfs/dbraw/zinc/34/44/84/335344484.db2.gz HRIMYHYBUZBKJB-UWVGGRQHSA-N 2 0 268.361 -0.889 20 0 CBADRP CN(C[C@@H](O)C[NH2+]CC1(S(C)(=O)=O)CCC1)C1CC1 ZINC000577386014 335346412 /nfs/dbraw/zinc/34/64/12/335346412.db2.gz KDWNOTXGIHSOLM-LBPRGKRZSA-N 2 0 290.429 -0.002 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000577405554 335349319 /nfs/dbraw/zinc/34/93/19/335349319.db2.gz YTYDMOCTFHRZPX-CYBMUJFWSA-N 3 0 259.394 -0.213 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)C[C@@H]1COCC[NH2+]1)C(F)F ZINC000577491925 335358794 /nfs/dbraw/zinc/35/87/94/335358794.db2.gz VXTXWRYZZGIQNZ-HTQZYQBOSA-N 2 0 251.277 -0.536 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN(CC(N)=O)C(C)C ZINC000577699839 335390083 /nfs/dbraw/zinc/39/00/83/335390083.db2.gz QJZMFLXMEYALKZ-LLVKDONJSA-N 2 0 261.366 -0.879 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000577713194 335391440 /nfs/dbraw/zinc/39/14/40/335391440.db2.gz OTBKHZSWUOXKTR-KBPBESRZSA-N 2 0 295.431 -0.230 20 0 CBADRP C[C@H](CNC(=O)[C@H](C)[NH2+]C1CC1)N1CC[NH+](C)CC1 ZINC000577726779 335392797 /nfs/dbraw/zinc/39/27/97/335392797.db2.gz GSKSZOBTWKECAO-NEPJUHHUSA-N 2 0 268.405 -0.121 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](C2CC2)[NH+](C)C)C1 ZINC000577727353 335393129 /nfs/dbraw/zinc/39/31/29/335393129.db2.gz FNMWHMHPXXBVLB-TUAOUCFPSA-N 2 0 255.362 -0.180 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000577868678 335414924 /nfs/dbraw/zinc/41/49/24/335414924.db2.gz GSSBWELBKQJYLG-DZGCQCFKSA-N 2 0 299.415 -0.033 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000577964493 335441411 /nfs/dbraw/zinc/44/14/11/335441411.db2.gz NTJRVMNONSAZDV-VXGBXAGGSA-N 2 0 284.404 -0.314 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000578127176 335509001 /nfs/dbraw/zinc/50/90/01/335509001.db2.gz GNJLPLXZNGPLKC-NOOOWODRSA-N 2 0 255.362 -0.003 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)O1 ZINC000578354259 335618778 /nfs/dbraw/zinc/61/87/78/335618778.db2.gz VHSDXIHXHPCQMQ-NTZNESFSSA-N 2 0 253.346 -0.295 20 0 CBADRP CC(C)[C@@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)[NH+](C)C ZINC000578505391 335642024 /nfs/dbraw/zinc/64/20/24/335642024.db2.gz WNVRLGUPCFKQOK-JTQLQIEISA-N 2 0 295.391 -0.261 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC[NH2+]C1 ZINC000578625182 335655329 /nfs/dbraw/zinc/65/53/29/335655329.db2.gz ACMOEZTXFNHWQL-LOWVWBTDSA-N 2 0 255.362 -0.273 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC[NH2+]C1 ZINC000578625184 335655378 /nfs/dbraw/zinc/65/53/78/335655378.db2.gz ACMOEZTXFNHWQL-WZRBSPASSA-N 2 0 255.362 -0.273 20 0 CBADRP O=C(C[NH2+]C1CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000578766219 335672397 /nfs/dbraw/zinc/67/23/97/335672397.db2.gz HAOHECVUMVYVRB-LBPRGKRZSA-N 2 0 252.362 -0.756 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000578863701 335681780 /nfs/dbraw/zinc/68/17/80/335681780.db2.gz UZHPDFITGXONEN-STQMWFEESA-N 2 0 268.405 -0.038 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000578889597 335686336 /nfs/dbraw/zinc/68/63/36/335686336.db2.gz RJONXGDTZNGZJA-IUCAKERBSA-N 2 0 279.348 -0.849 20 0 CBADRP [NH3+]C[C@H](C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000578986650 335696139 /nfs/dbraw/zinc/69/61/39/335696139.db2.gz MEWBAZQXTXUKQN-STQMWFEESA-N 2 0 263.341 -0.085 20 0 CBADRP [NH3+]CC(=O)NCC(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000579107500 335709799 /nfs/dbraw/zinc/70/97/99/335709799.db2.gz KHLVMJXMVHWRDT-UHFFFAOYSA-N 2 0 297.384 -0.377 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000579234182 335724705 /nfs/dbraw/zinc/72/47/05/335724705.db2.gz PXVLLHAPIQDBCG-NEPJUHHUSA-N 2 0 254.378 -0.380 20 0 CBADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000579252864 335728247 /nfs/dbraw/zinc/72/82/47/335728247.db2.gz GOEKERHVEMNNAA-FJJYHAOUSA-N 2 0 294.399 -0.336 20 0 CBADRP C[C@H]1CCN(C(=O)c2cn(CCC[NH3+])nn2)C[C@@H]1C[NH3+] ZINC000579353272 335738065 /nfs/dbraw/zinc/73/80/65/335738065.db2.gz WWKMSWGGMTYSRV-QWRGUYRKSA-N 2 0 280.376 -0.316 20 0 CBADRP CC1CC[NH+](C[C@H](O)CNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000579468603 335765726 /nfs/dbraw/zinc/76/57/26/335765726.db2.gz HAKGYVDBJNYQDQ-GFCCVEGCSA-N 2 0 269.389 -0.195 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000580950190 335988257 /nfs/dbraw/zinc/98/82/57/335988257.db2.gz HPVLFJPSNWQMOF-JHJVBQTASA-N 2 0 294.399 -0.687 20 0 CBADRP CCC[C@@H]1CN(C(=O)COC2C[NH2+]C2)CC[N@@H+]1CCOC ZINC000581192829 336022204 /nfs/dbraw/zinc/02/22/04/336022204.db2.gz HRZVRXUTLJIVIW-CYBMUJFWSA-N 2 0 299.415 -0.066 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CCC(O)(C(=O)OC)CC1 ZINC000581258611 336033404 /nfs/dbraw/zinc/03/34/04/336033404.db2.gz GAFSJRAGSGOUGW-LLVKDONJSA-N 2 0 274.361 -0.701 20 0 CBADRP COC1(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC[NH2+]CC1 ZINC000581311491 336046000 /nfs/dbraw/zinc/04/60/00/336046000.db2.gz MNCDEDTVCRADGG-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000581322457 336049337 /nfs/dbraw/zinc/04/93/37/336049337.db2.gz ZLJRZGFVRMQBCF-KBPBESRZSA-N 2 0 295.431 -0.230 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000581368533 336062525 /nfs/dbraw/zinc/06/25/25/336062525.db2.gz OERSCJLZODMYRQ-GHMZBOCLSA-N 2 0 280.376 -0.385 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000581372434 336063560 /nfs/dbraw/zinc/06/35/60/336063560.db2.gz HWEJHKHPTGSZAV-RYUDHWBXSA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@]1(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CCCC[NH2+]1 ZINC000581381123 336065872 /nfs/dbraw/zinc/06/58/72/336065872.db2.gz RAPVUFLIKLNUQC-JTNHKYCSSA-N 2 0 280.372 -0.711 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000581538696 336097274 /nfs/dbraw/zinc/09/72/74/336097274.db2.gz ONGABHACFMFRNJ-WXHSDQCUSA-N 2 0 294.399 -0.465 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000581603531 336110504 /nfs/dbraw/zinc/11/05/04/336110504.db2.gz ZTTDOWCIDAXLON-KGLIPLIRSA-N 2 0 293.415 -0.015 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)C1CC1 ZINC000581777854 336145913 /nfs/dbraw/zinc/14/59/13/336145913.db2.gz FXFGIWWZJHHWAG-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000581822983 336147304 /nfs/dbraw/zinc/14/73/04/336147304.db2.gz AUMGVWLRMGBAEN-GHMZBOCLSA-N 2 0 268.361 -0.935 20 0 CBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000581933455 336171882 /nfs/dbraw/zinc/17/18/82/336171882.db2.gz YPAMYEGXVAFVKK-AGIUHOORSA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000581941560 336173376 /nfs/dbraw/zinc/17/33/76/336173376.db2.gz QVLMMZAENITPPY-CMPLNLGQSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@@H](CNC(=O)/C=C/C[NH+](C)C)N1CC[NH+](C)CC1 ZINC000491861372 533869408 /nfs/dbraw/zinc/86/94/08/533869408.db2.gz AKOPEUXJPNPUKW-GFUIURDCSA-N 2 0 268.405 -0.144 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)C1(n2cccn2)CC[NH2+]CC1 ZINC000520813052 518200032 /nfs/dbraw/zinc/20/00/32/518200032.db2.gz PALFCARAVASKLP-GFCCVEGCSA-N 2 0 277.372 -0.170 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](CO)C2)CC1 ZINC000157366938 521571833 /nfs/dbraw/zinc/57/18/33/521571833.db2.gz QVJKPDSLQUOTKP-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263053892 522443405 /nfs/dbraw/zinc/44/34/05/522443405.db2.gz UULRPNBOMDMBPE-WFASDCNBSA-N 2 0 296.415 -0.216 20 0 CBADRP O=C(N1CC[NH+](C[C@H]2CCOC2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000378203313 534764963 /nfs/dbraw/zinc/76/49/63/534764963.db2.gz PLNLXTDOQZRKAG-TZMCWYRMSA-N 2 0 285.363 -0.131 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377529901 528085803 /nfs/dbraw/zinc/08/58/03/528085803.db2.gz JLLVBIFZTDLEJO-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(CCOCC[NH3+])CC1 ZINC000357077712 535489830 /nfs/dbraw/zinc/48/98/30/535489830.db2.gz PZVYELFNVIDJEM-UHFFFAOYSA-N 2 0 286.420 -0.552 20 0 CBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000236882223 535705060 /nfs/dbraw/zinc/70/50/60/535705060.db2.gz LOVWVHLOLLZJDK-KBPBESRZSA-N 2 0 298.431 -0.635 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH2+]C(C)(C)C2)CC1=O ZINC000357338038 535877539 /nfs/dbraw/zinc/87/75/39/535877539.db2.gz VJYKBIWTPCMZQD-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP [NH3+]CC[C@H](NC(=O)CO[C@H]1CCC[NH2+]C1)C(F)F ZINC000843483139 583226878 /nfs/dbraw/zinc/22/68/78/583226878.db2.gz DQFVTRGPMHGYAV-IUCAKERBSA-N 2 0 265.304 -0.146 20 0 CBADRP Cc1nc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)no1 ZINC000123397494 582119232 /nfs/dbraw/zinc/11/92/32/582119232.db2.gz QEHQTBXZRWDTAG-UHFFFAOYSA-N 2 0 269.349 -0.057 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000131958116 582123634 /nfs/dbraw/zinc/12/36/34/582123634.db2.gz XTEIRYQVBRXICV-LBPRGKRZSA-N 2 0 284.404 -0.360 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000300072192 582130303 /nfs/dbraw/zinc/13/03/03/582130303.db2.gz KSPAEKJXLRDOKD-SRVKXCTJSA-N 2 0 271.361 -0.670 20 0 CBADRP C[NH+](C)CCOCC[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000394118061 582131798 /nfs/dbraw/zinc/13/17/98/582131798.db2.gz UMGXMMJITYAORV-UHFFFAOYSA-N 2 0 293.433 -0.422 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc[n+]([O-])cc1 ZINC000734126325 582167922 /nfs/dbraw/zinc/16/79/22/582167922.db2.gz AMQSQGWYPUPIEQ-UHFFFAOYSA-N 2 0 280.372 -0.115 20 0 CBADRP CNC(=O)CCC[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000753208490 582296522 /nfs/dbraw/zinc/29/65/22/582296522.db2.gz UMDXZMKHOOVJOS-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC000763017575 582318934 /nfs/dbraw/zinc/31/89/34/582318934.db2.gz UEQICFFMZSULHC-LBPRGKRZSA-N 2 0 268.405 -0.167 20 0 CBADRP Cc1cc(N2CC[N@H+](CCO)[C@H](C)C2)nc(N)[nH+]1 ZINC000777831410 582357808 /nfs/dbraw/zinc/35/78/08/582357808.db2.gz CWGHJGGYSDLHQW-SNVBAGLBSA-N 2 0 251.334 -0.130 20 0 CBADRP COCCONC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000789349809 582388126 /nfs/dbraw/zinc/38/81/26/582388126.db2.gz UFWCAKJEPVOKAL-UHFFFAOYSA-N 2 0 276.381 -0.301 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC[NH2+]C1 ZINC000818612798 582512984 /nfs/dbraw/zinc/51/29/84/582512984.db2.gz YJGGMHQYCREHEO-KBPBESRZSA-N 2 0 267.373 -0.033 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818612089 582512993 /nfs/dbraw/zinc/51/29/93/582512993.db2.gz NSGHKQXWCVPJCN-DGCLKSJQSA-N 2 0 253.346 -0.281 20 0 CBADRP CON(C)C(=O)CC[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000819034773 582525058 /nfs/dbraw/zinc/52/50/58/582525058.db2.gz RIADUXKZOCBQQZ-LBPRGKRZSA-N 2 0 272.393 -0.378 20 0 CBADRP C[NH+](C)CCN1CCC([NH2+]CCS(C)(=O)=O)CC1 ZINC000819389844 582533451 /nfs/dbraw/zinc/53/34/51/582533451.db2.gz PFFYYPPAZVJVBC-UHFFFAOYSA-N 2 0 277.434 -0.353 20 0 CBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[NH+]1CCCC1 ZINC000824030689 582685708 /nfs/dbraw/zinc/68/57/08/582685708.db2.gz KVWXHOFYPAENDR-LBPRGKRZSA-N 2 0 282.388 -0.339 20 0 CBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@]3(F)CC[NH2+]C3)C2)CC1 ZINC000829484711 582888105 /nfs/dbraw/zinc/88/81/05/582888105.db2.gz WLBLZKKAZCCXTA-SWLSCSKDSA-N 2 0 298.406 -0.027 20 0 CBADRP C[C@@H](CNC(=O)C[C@H]([NH3+])C1CC1)N1CC[NH+](C)CC1 ZINC000829918599 582906338 /nfs/dbraw/zinc/90/63/38/582906338.db2.gz TUIZCNXIZCGXRH-AAEUAGOBSA-N 2 0 268.405 -0.134 20 0 CBADRP C[NH+]1CC[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+]1C ZINC000830134287 582921348 /nfs/dbraw/zinc/92/13/48/582921348.db2.gz COZKIEBPSBKVIY-MPZDIEGVSA-N 2 0 294.399 -0.737 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC000830140454 582922228 /nfs/dbraw/zinc/92/22/28/582922228.db2.gz DNBJDRRPHBJFRQ-LLVKDONJSA-N 2 0 255.362 -0.083 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000831088699 582956181 /nfs/dbraw/zinc/95/61/81/582956181.db2.gz JQQNYLOPESDXRX-ZDUSSCGKSA-N 2 0 273.352 -0.085 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NCCCCCC[NH3+])C1 ZINC000831274351 582973748 /nfs/dbraw/zinc/97/37/48/582973748.db2.gz ITHGMUQWXMGECV-CYBMUJFWSA-N 2 0 272.393 -0.129 20 0 CBADRP CCO[C@H](CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)C[NH+](C)C ZINC000831707743 582996147 /nfs/dbraw/zinc/99/61/47/582996147.db2.gz LDYWYHBDKWZNBU-UONOGXRCSA-N 2 0 299.415 -0.210 20 0 CBADRP C[C@H]1CCC[N@@H+]1CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000831970730 583008885 /nfs/dbraw/zinc/00/88/85/583008885.db2.gz KUCXUNRHVAACBF-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831971337 583009392 /nfs/dbraw/zinc/00/93/92/583009392.db2.gz VJMODBRMISEUCI-WDEREUQCSA-N 2 0 271.361 -0.133 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000832526407 583027698 /nfs/dbraw/zinc/02/76/98/583027698.db2.gz DHKDEHJPWOMONY-VXGBXAGGSA-N 2 0 282.388 -0.573 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000832554725 583029882 /nfs/dbraw/zinc/02/98/82/583029882.db2.gz RAVVPAAZMZPYJB-VIFPVBQESA-N 2 0 263.345 -0.121 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000832770667 583046796 /nfs/dbraw/zinc/04/67/96/583046796.db2.gz ZWQXSMZMDQCLCQ-VIFPVBQESA-N 2 0 251.334 -0.232 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CCC2(C1)CC[NH2+]CC2 ZINC000834437475 583123410 /nfs/dbraw/zinc/12/34/10/583123410.db2.gz AXARDUQTWXTKEM-LBPRGKRZSA-N 2 0 267.373 -0.033 20 0 CBADRP [NH3+]CCOCC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000834765040 583135616 /nfs/dbraw/zinc/13/56/16/583135616.db2.gz PZCUEPWHDGFQOQ-CYBMUJFWSA-N 2 0 263.341 -0.035 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000834861183 583138015 /nfs/dbraw/zinc/13/80/15/583138015.db2.gz GGSAWCNUKYFPQD-DTWKUNHWSA-N 2 0 263.345 -0.087 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@H]1CCC[NH2+]C1 ZINC000841790756 583174604 /nfs/dbraw/zinc/17/46/04/583174604.db2.gz JDIBMNFFJJBZMD-AVGNSLFASA-N 2 0 282.388 -0.099 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@]1(F)CC[NH2+]C1 ZINC000841852266 583175275 /nfs/dbraw/zinc/17/52/75/583175275.db2.gz ISOJHXGVASZJFG-APPZFPTMSA-N 2 0 251.252 -0.199 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[NH+]1CCCCC1 ZINC000842014682 583177712 /nfs/dbraw/zinc/17/77/12/583177712.db2.gz DRNYSLTVLUYMAZ-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000842014263 583177815 /nfs/dbraw/zinc/17/78/15/583177815.db2.gz BDROXBYRMMWZBT-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H](CNC(=O)C(=O)N(C)CC[NH3+])[NH+]1CCCCC1 ZINC000842015419 583178115 /nfs/dbraw/zinc/17/81/15/583178115.db2.gz LCENHMUYXDGWQQ-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000842016016 583178129 /nfs/dbraw/zinc/17/81/29/583178129.db2.gz QMERSUUDOKSACG-JHJVBQTASA-N 2 0 296.415 -0.217 20 0 CBADRP [NH3+]CCCCCCC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000842476757 583184247 /nfs/dbraw/zinc/18/42/47/583184247.db2.gz UZPNRLSHRYTBKI-LBPRGKRZSA-N 2 0 282.388 -0.462 20 0 CBADRP CN(C(=O)c1[nH]nc2c1C[NH2+]CC2)[C@@H](C[NH3+])C1CC1 ZINC000842509590 583184733 /nfs/dbraw/zinc/18/47/33/583184733.db2.gz GHQWBILONXXXBZ-NSHDSACASA-N 2 0 263.345 -0.135 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843337899 583210053 /nfs/dbraw/zinc/21/00/53/583210053.db2.gz NKEGYFVRDRQCGM-ZDUSSCGKSA-N 2 0 284.404 -0.881 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)CCCCC[NH3+] ZINC000843338539 583210505 /nfs/dbraw/zinc/21/05/05/583210505.db2.gz OVTDDGMERHJSDF-UHFFFAOYSA-N 2 0 256.394 -0.131 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000843338589 583210525 /nfs/dbraw/zinc/21/05/25/583210525.db2.gz SXRGGJOJQUOTDP-NSHDSACASA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000843347150 583211229 /nfs/dbraw/zinc/21/12/29/583211229.db2.gz UDKBMNLEMPNVGU-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)C1CCC([NH3+])CC1 ZINC000843354413 583211862 /nfs/dbraw/zinc/21/18/62/583211862.db2.gz FTNSVPLXVJFKIX-XIVSLSHWSA-N 2 0 284.404 -0.186 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)CCO1 ZINC000843357989 583212450 /nfs/dbraw/zinc/21/24/50/583212450.db2.gz VIKHOWNEVFDRAM-SDDRHHMPSA-N 2 0 271.361 -0.670 20 0 CBADRP C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)N1CC[NH2+]CC1 ZINC000843364792 583212484 /nfs/dbraw/zinc/21/24/84/583212484.db2.gz SQBRAHLANVZGKE-UHFFFAOYSA-N 3 0 252.406 -0.033 20 0 CBADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CC(=O)N1CCNC(=O)C1 ZINC000843361265 583212548 /nfs/dbraw/zinc/21/25/48/583212548.db2.gz BXUNAMCFQBYZRF-YOGCLGLASA-N 2 0 280.372 -0.711 20 0 CBADRP [NH3+]CCNC(=O)c1ccccc1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000843474138 583224866 /nfs/dbraw/zinc/22/48/66/583224866.db2.gz MVVFZMWSDFOBRQ-PJXYFTJBSA-N 2 0 288.351 -0.221 20 0 CBADRP COCC1(CNC(=O)CO[C@@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000843475452 583225063 /nfs/dbraw/zinc/22/50/63/583225063.db2.gz UXJSSLBJXIZYCI-CYBMUJFWSA-N 2 0 299.415 -0.113 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000843478559 583225887 /nfs/dbraw/zinc/22/58/87/583225887.db2.gz OLLGWPQVWSIUAI-WDEREUQCSA-N 2 0 269.345 -0.523 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000843482908 583226680 /nfs/dbraw/zinc/22/66/80/583226680.db2.gz AKAUYNMNTYPZEL-UTUOFQBUSA-N 2 0 253.346 -0.425 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843489210 583227707 /nfs/dbraw/zinc/22/77/07/583227707.db2.gz IXWVZJKMXZMXBW-CYBMUJFWSA-N 2 0 287.404 -0.208 20 0 CBADRP CN(C(=O)CO[C@@H]1CCC[NH2+]C1)[C@@H](C[NH3+])C1CC1 ZINC000843499216 583230337 /nfs/dbraw/zinc/23/03/37/583230337.db2.gz XLRKXCMANQYEGA-NEPJUHHUSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CCCCCCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000843511867 583232253 /nfs/dbraw/zinc/23/22/53/583232253.db2.gz QYUVWIXQIIXYEC-UHFFFAOYSA-N 2 0 268.365 -0.124 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844170949 583256398 /nfs/dbraw/zinc/25/63/98/583256398.db2.gz OCLZFJLSQLSWJL-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844174874 583257221 /nfs/dbraw/zinc/25/72/21/583257221.db2.gz HBLKCPZDLDESBX-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[NH2+]CC(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000844178057 583257298 /nfs/dbraw/zinc/25/72/98/583257298.db2.gz SXMIQZGVGRYUNC-UHFFFAOYSA-N 2 0 270.421 -0.014 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000844178952 583257776 /nfs/dbraw/zinc/25/77/76/583257776.db2.gz AGZJGEMWSOVBBN-SJHCENCUSA-N 2 0 265.357 -0.284 20 0 CBADRP CC[NH2+]CC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000844180648 583258335 /nfs/dbraw/zinc/25/83/35/583258335.db2.gz JEGNELUMXMJNRN-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844182475 583258827 /nfs/dbraw/zinc/25/88/27/583258827.db2.gz GFYFADISQGTBBR-STQMWFEESA-N 2 0 285.388 -0.408 20 0 CBADRP CC[NH2+]CC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000844188707 583260136 /nfs/dbraw/zinc/26/01/36/583260136.db2.gz YHGMIEBQSZOKIL-LBPRGKRZSA-N 2 0 255.362 -0.223 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)N(CC[NH3+])CCO ZINC000846180109 583355006 /nfs/dbraw/zinc/35/50/06/583355006.db2.gz RYKGVGGZLZIMHA-UHFFFAOYSA-N 2 0 274.409 -0.073 20 0 CBADRP O=C(N1CCC2(C1)CC[NH2+]CC2)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846675418 583382185 /nfs/dbraw/zinc/38/21/85/583382185.db2.gz GRFJOYDHVDSDPJ-WFASDCNBSA-N 2 0 279.384 -0.176 20 0 CBADRP O=C(N1CC[C@]2(CCC[NH2+]2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846683088 583383043 /nfs/dbraw/zinc/38/30/43/583383043.db2.gz NTHQNLTURNKAKE-YUTCNCBUSA-N 2 0 265.357 -0.423 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846679050 583383102 /nfs/dbraw/zinc/38/31/02/583383102.db2.gz RTDQSFWYVCTIAF-NGZCFLSTSA-N 2 0 275.299 -0.664 20 0 CBADRP CCO[C@@H]1CN(C(=O)C[C@@H]([NH3+])C2CC2)C[C@H]1C[NH3+] ZINC000846695466 583384194 /nfs/dbraw/zinc/38/41/94/583384194.db2.gz LRFNPAOTAYFUFM-IJLUTSLNSA-N 2 0 255.362 -0.064 20 0 CBADRP CCO[C@@H]1CN(C(=O)C[C@H]([NH3+])C2CC2)C[C@H]1C[NH3+] ZINC000846695464 583384212 /nfs/dbraw/zinc/38/42/12/583384212.db2.gz LRFNPAOTAYFUFM-GRYCIOLGSA-N 2 0 255.362 -0.064 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000848614712 583452785 /nfs/dbraw/zinc/45/27/85/583452785.db2.gz WMMGLGRPLSYFAQ-NDBYEHHHSA-N 2 0 294.399 -0.737 20 0 CBADRP CN1CC[NH+]=C1NCC(C)(C)N1CC[NH+](C)CC1 ZINC000848984196 583464002 /nfs/dbraw/zinc/46/40/02/583464002.db2.gz XNJFIYLYLSRMGF-UHFFFAOYSA-N 2 0 253.394 -0.097 20 0 CBADRP COC[C@H](C)NC(=[NH2+])NCCC[NH+]1CCC(O)CC1 ZINC000848987872 583464601 /nfs/dbraw/zinc/46/46/01/583464601.db2.gz KNGPYNAEQGNGOP-NSHDSACASA-N 2 0 272.393 -0.018 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(=O)NC ZINC000848993499 583465061 /nfs/dbraw/zinc/46/50/61/583465061.db2.gz AQOOGZUEEGEHLU-JTQLQIEISA-N 2 0 255.366 -0.279 20 0 CBADRP C[C@@H](CNC1=[NH+]CCN1C)C[NH+]1CCN(C)CC1 ZINC000848994290 583465450 /nfs/dbraw/zinc/46/54/50/583465450.db2.gz BEASQCMAMDFVQK-LBPRGKRZSA-N 2 0 253.394 -0.239 20 0 CBADRP CCNC(=[NH2+])NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000849000430 583465783 /nfs/dbraw/zinc/46/57/83/583465783.db2.gz SSTWWABIQIJPSR-SNVBAGLBSA-N 2 0 255.366 -0.292 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=[NH2+])N2CCC2)C1 ZINC000848999954 583465906 /nfs/dbraw/zinc/46/59/06/583465906.db2.gz CGQOOUWFURMRIO-LLVKDONJSA-N 2 0 267.377 -0.196 20 0 CBADRP CN(C)C(=[NH2+])NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000848999943 583466038 /nfs/dbraw/zinc/46/60/38/583466038.db2.gz BYEVPZAAHYCDRK-JTQLQIEISA-N 2 0 255.366 -0.340 20 0 CBADRP COC[C@@H](C)NC(=[NH2+])NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000849000525 583466413 /nfs/dbraw/zinc/46/64/13/583466413.db2.gz YWNMZYPRHUJWMW-VXGBXAGGSA-N 2 0 299.419 -0.277 20 0 CBADRP COC[C@H](C)NC(=[NH2+])NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000849000524 583466450 /nfs/dbraw/zinc/46/64/50/583466450.db2.gz YWNMZYPRHUJWMW-RYUDHWBXSA-N 2 0 299.419 -0.277 20 0 CBADRP CN(CCC[NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000851657292 583518242 /nfs/dbraw/zinc/51/82/42/583518242.db2.gz WOQGUCJMNWNSRM-VXGBXAGGSA-N 2 0 270.377 -0.160 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)N(CC[NH3+])CCO)C1 ZINC000851676316 583519916 /nfs/dbraw/zinc/51/99/16/583519916.db2.gz HVPJIMHALAHJJT-LLVKDONJSA-N 2 0 258.366 -0.567 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000851677824 583520142 /nfs/dbraw/zinc/52/01/42/583520142.db2.gz XHIOGVKQNKMOTE-ZUXSNHBTSA-N 2 0 250.346 -0.258 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000851687288 583521437 /nfs/dbraw/zinc/52/14/37/583521437.db2.gz PTIDIDRLQZYHTM-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000851690497 583522130 /nfs/dbraw/zinc/52/21/30/583522130.db2.gz DIIGWCSVBSDQGS-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H]1COCCO1 ZINC000852496502 583547600 /nfs/dbraw/zinc/54/76/00/583547600.db2.gz RIIAYVYWFILJHA-CQSZACIVSA-N 2 0 271.405 -0.029 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852790052 583552703 /nfs/dbraw/zinc/55/27/03/583552703.db2.gz NRRFLRZYARSVFR-VHSXEESVSA-N 2 0 254.334 -0.452 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NCC2([NH3+])CCCCC2)=NO1 ZINC000852789729 583552774 /nfs/dbraw/zinc/55/27/74/583552774.db2.gz DPTKYTBHUYNXBO-VIFPVBQESA-N 2 0 254.334 -0.132 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@@H]([NH3+])c2ccccc2)=NO1 ZINC000852795191 583552965 /nfs/dbraw/zinc/55/29/65/583552965.db2.gz GEGGCZMAAAXSLP-WDEREUQCSA-N 2 0 262.313 -0.094 20 0 CBADRP CN1CCN(C(=O)C=C2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000852798257 583553343 /nfs/dbraw/zinc/55/33/43/583553343.db2.gz HSUPODPVHZWNQT-GFCCVEGCSA-N 2 0 252.362 -0.603 20 0 CBADRP CC(C)C[C@](C)(C[NH3+])NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852800341 583553560 /nfs/dbraw/zinc/55/35/60/583553560.db2.gz XLEWJVHVWZYTOB-BXKDBHETSA-N 2 0 256.350 -0.030 20 0 CBADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852800372 583553582 /nfs/dbraw/zinc/55/35/82/583553582.db2.gz XLEWJVHVWZYTOB-SKDRFNHKSA-N 2 0 256.350 -0.030 20 0 CBADRP C[C@H]1CCC[N@@H+]1CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000852823970 583556250 /nfs/dbraw/zinc/55/62/50/583556250.db2.gz NHGOKBXSXABNPA-JTQLQIEISA-N 2 0 266.349 -0.549 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000852823971 583556379 /nfs/dbraw/zinc/55/63/79/583556379.db2.gz NHGOKBXSXABNPA-SNVBAGLBSA-N 2 0 266.349 -0.549 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000852842252 583559375 /nfs/dbraw/zinc/55/93/75/583559375.db2.gz UAFLJNZNFZIWEE-UHFFFAOYSA-N 2 0 251.334 -0.135 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCCCC[NH3+] ZINC000852854325 583561163 /nfs/dbraw/zinc/56/11/63/583561163.db2.gz DPVZTCFUPUMVJE-UHFFFAOYSA-N 2 0 286.420 -0.016 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852853956 583561206 /nfs/dbraw/zinc/56/12/06/583561206.db2.gz AHMOVTNCUPRPOI-VHSXEESVSA-N 2 0 254.334 -0.310 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852855266 583561574 /nfs/dbraw/zinc/56/15/74/583561574.db2.gz XWVBWZHVNCTUOH-SECBINFHSA-N 2 0 256.350 -0.206 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)NCCCC[NH+]2CCOCC2)=NO1 ZINC000852858539 583561673 /nfs/dbraw/zinc/56/16/73/583561673.db2.gz CEIAYNROPHOHOD-LLVKDONJSA-N 2 0 284.360 -0.681 20 0 CBADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C1(O)C[NH2+]C1 ZINC000852857711 583561852 /nfs/dbraw/zinc/56/18/52/583561852.db2.gz CPVZSHWUKQUZOC-LBPRGKRZSA-N 2 0 283.372 -0.920 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852859393 583562188 /nfs/dbraw/zinc/56/21/88/583562188.db2.gz SGPCWOUUUSEYJP-MNOVXSKESA-N 2 0 268.361 -0.062 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)=NO1 ZINC000852860606 583562486 /nfs/dbraw/zinc/56/24/86/583562486.db2.gz SRGWYTPRRDLZSY-NHCYSSNCSA-N 2 0 266.345 -0.167 20 0 CBADRP CC[NH+]1CCC(CNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852862146 583562907 /nfs/dbraw/zinc/56/29/07/583562907.db2.gz UUNQWCBEWUWWML-LLVKDONJSA-N 2 0 268.361 -0.062 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852864142 583563682 /nfs/dbraw/zinc/56/36/82/583563682.db2.gz XHBQVCFUPJGIET-ZJUUUORDSA-N 2 0 254.334 -0.452 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000852864297 583563728 /nfs/dbraw/zinc/56/37/28/583563728.db2.gz RJOGELXTWSXJRT-RNJOBUHISA-N 2 0 283.372 -0.670 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852870295 583564785 /nfs/dbraw/zinc/56/47/85/583564785.db2.gz RIJHXYDCPIUZOH-LBPRGKRZSA-N 2 0 297.403 -0.768 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852870294 583564937 /nfs/dbraw/zinc/56/49/37/583564937.db2.gz RIJHXYDCPIUZOH-GFCCVEGCSA-N 2 0 297.403 -0.768 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CC[NH+](C3CCOCC3)CC2)=NO1 ZINC000852870709 583565268 /nfs/dbraw/zinc/56/52/68/583565268.db2.gz QCZSZOKOHUAROU-GFCCVEGCSA-N 2 0 296.371 -0.587 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C2=NO[C@H](C[NH3+])C2)C[N@@H+]1C1CC1 ZINC000852872794 583565461 /nfs/dbraw/zinc/56/54/61/583565461.db2.gz RFZAMCYSNKKKJG-YWVKMMECSA-N 2 0 266.345 -0.169 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)=NO1 ZINC000852873984 583565471 /nfs/dbraw/zinc/56/54/71/583565471.db2.gz IMFORMHOWXMBOH-NXEZZACHSA-N 2 0 252.318 -0.557 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)=NO1 ZINC000852872961 583565605 /nfs/dbraw/zinc/56/56/05/583565605.db2.gz UOWOZSWLOLCPIU-VXGBXAGGSA-N 2 0 296.371 -0.729 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852875472 583565799 /nfs/dbraw/zinc/56/57/99/583565799.db2.gz XLGPZJWTTDJFRQ-NXEZZACHSA-N 2 0 254.334 -0.310 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)=NO1 ZINC000852875936 583566215 /nfs/dbraw/zinc/56/62/15/583566215.db2.gz UCLAXHLHXXJKFK-CABZTGNLSA-N 2 0 252.318 -0.698 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)=NO1 ZINC000852878853 583566364 /nfs/dbraw/zinc/56/63/64/583566364.db2.gz ADFGQLNKKRWRQC-ZWNOBZJWSA-N 2 0 266.345 -0.308 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)=NO1 ZINC000852881997 583567112 /nfs/dbraw/zinc/56/71/12/583567112.db2.gz VBJBOAHPOUAYIP-UTLUCORTSA-N 2 0 252.318 -0.700 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852882247 583567475 /nfs/dbraw/zinc/56/74/75/583567475.db2.gz AZIKXVGIVOECTI-SCZZXKLOSA-N 2 0 254.334 -0.406 20 0 CBADRP [NH3+]CC[C@H](NC(=O)C1=NO[C@H](C[NH3+])C1)C(F)(F)F ZINC000852883289 583567771 /nfs/dbraw/zinc/56/77/71/583567771.db2.gz XGAPKZNLFMVXQI-FSPLSTOPSA-N 2 0 268.239 -0.514 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852883626 583567784 /nfs/dbraw/zinc/56/77/84/583567784.db2.gz LVXUXZHZGJYPNR-NSHDSACASA-N 2 0 284.360 -0.729 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852884888 583568449 /nfs/dbraw/zinc/56/84/49/583568449.db2.gz PTJLBMKANLVDQB-JFGNBEQYSA-N 2 0 268.361 -0.111 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852886203 583568682 /nfs/dbraw/zinc/56/86/82/583568682.db2.gz ZAWLOKFPEBJKQE-SNVBAGLBSA-N 2 0 272.349 -0.873 20 0 CBADRP C[C@@H]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)C[C@@H]1C[NH3+] ZINC000852890375 583570119 /nfs/dbraw/zinc/57/01/19/583570119.db2.gz JIDDWFWBCKVNRR-UTLUCORTSA-N 2 0 254.334 -0.467 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852893208 583570637 /nfs/dbraw/zinc/57/06/37/583570637.db2.gz SFRZOLREBBCAEL-GVXVVHGQSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)NCCC2CC[NH2+]CC2)=NO1 ZINC000852897829 583571846 /nfs/dbraw/zinc/57/18/46/583571846.db2.gz SRYHNSWNZWGEKS-SNVBAGLBSA-N 2 0 254.334 -0.404 20 0 CBADRP O=C(C=C1CC[NH2+]CC1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000852914071 583574038 /nfs/dbraw/zinc/57/40/38/583574038.db2.gz MABBAXQHQGCMIF-CQSZACIVSA-N 2 0 278.400 -0.198 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@@]1(F)CC[NH2+]C1 ZINC000852914477 583574066 /nfs/dbraw/zinc/57/40/66/583574066.db2.gz XWGVIXUPCJXRBI-WCQYABFASA-N 2 0 270.352 -0.806 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000852913675 583574107 /nfs/dbraw/zinc/57/41/07/583574107.db2.gz CJTHCXFOJAFWLS-UONOGXRCSA-N 2 0 296.415 -0.739 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000857102605 583664397 /nfs/dbraw/zinc/66/43/97/583664397.db2.gz FARUIEBEWQRNTI-STQMWFEESA-N 2 0 285.436 -0.094 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000857109514 583665171 /nfs/dbraw/zinc/66/51/71/583665171.db2.gz MOZSVORDASHXSF-NWDGAFQWSA-N 2 0 272.393 -0.130 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000857109747 583665254 /nfs/dbraw/zinc/66/52/54/583665254.db2.gz NJYXUWRWIUABEF-NWDGAFQWSA-N 2 0 272.393 -0.130 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861557433 583770612 /nfs/dbraw/zinc/77/06/12/583770612.db2.gz YLFFMMCAMOXLBA-NSHDSACASA-N 2 0 260.382 -0.057 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H]1CC[NH2+]C1 ZINC000861573247 583771327 /nfs/dbraw/zinc/77/13/27/583771327.db2.gz CRAMTENYEWFRCZ-IJLUTSLNSA-N 2 0 268.361 -0.489 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000861728989 583781696 /nfs/dbraw/zinc/78/16/96/583781696.db2.gz NLPQRWXBUVOHHP-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000861737336 583782429 /nfs/dbraw/zinc/78/24/29/583782429.db2.gz BFJJFCYPZLDXJE-JTQLQIEISA-N 2 0 289.339 -0.244 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000861742869 583783061 /nfs/dbraw/zinc/78/30/61/583783061.db2.gz NABWJPHZOAOUHT-UWVGGRQHSA-N 2 0 258.366 -0.752 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc(N(C)C)nc1 ZINC000861756154 583784529 /nfs/dbraw/zinc/78/45/29/583784529.db2.gz UCUHEHMBYQNPGC-SNVBAGLBSA-N 2 0 293.371 -0.431 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000861761017 583785143 /nfs/dbraw/zinc/78/51/43/583785143.db2.gz UHWBUEFQPKGZRJ-HIFPTAJRSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000861769754 583785392 /nfs/dbraw/zinc/78/53/92/583785392.db2.gz CFNGMDZYJORVQI-DGCLKSJQSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000861769755 583785410 /nfs/dbraw/zinc/78/54/10/583785410.db2.gz CFNGMDZYJORVQI-WCQYABFASA-N 2 0 296.415 -0.075 20 0 CBADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCOCC[NH2+]C ZINC000863543888 583845827 /nfs/dbraw/zinc/84/58/27/583845827.db2.gz FREJPFDADYDECB-GHMZBOCLSA-N 2 0 259.350 -0.894 20 0 CBADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCOCC[NH2+]C ZINC000863543889 583845893 /nfs/dbraw/zinc/84/58/93/583845893.db2.gz FREJPFDADYDECB-MNOVXSKESA-N 2 0 259.350 -0.894 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000863749886 583852373 /nfs/dbraw/zinc/85/23/73/583852373.db2.gz DYGHQFKCLRVPNJ-OLZOCXBDSA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000863752395 583852760 /nfs/dbraw/zinc/85/27/60/583852760.db2.gz DLOWPLWOFBLQCE-STQMWFEESA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000863752391 583852809 /nfs/dbraw/zinc/85/28/09/583852809.db2.gz DLOWPLWOFBLQCE-OLZOCXBDSA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000863753835 583852861 /nfs/dbraw/zinc/85/28/61/583852861.db2.gz JJVVJFRMWPLXRK-RYUDHWBXSA-N 2 0 298.431 -0.019 20 0 CBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000863764700 583854666 /nfs/dbraw/zinc/85/46/66/583854666.db2.gz VUSJHBPYJIXXIH-OLZOCXBDSA-N 2 0 298.431 -0.018 20 0 CBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000863764703 583854947 /nfs/dbraw/zinc/85/49/47/583854947.db2.gz VUSJHBPYJIXXIH-STQMWFEESA-N 2 0 298.431 -0.018 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863766291 583855028 /nfs/dbraw/zinc/85/50/28/583855028.db2.gz UNMCUYRVJLZPCZ-GFCCVEGCSA-N 2 0 286.420 -0.018 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000863769561 583855644 /nfs/dbraw/zinc/85/56/44/583855644.db2.gz LFZYVCFOQDYKGD-GHMZBOCLSA-N 2 0 270.377 -0.655 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000863769563 583855669 /nfs/dbraw/zinc/85/56/69/583855669.db2.gz LFZYVCFOQDYKGD-QWRGUYRKSA-N 2 0 270.377 -0.655 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000863774103 583856014 /nfs/dbraw/zinc/85/60/14/583856014.db2.gz PMIUBWUBZQYIOK-DOMZBBRYSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@H](CNC(=O)C(F)C(=O)NC[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000864827189 583890388 /nfs/dbraw/zinc/89/03/88/583890388.db2.gz CNEBXGAZBSXGQT-NXEZZACHSA-N 2 0 290.383 -0.543 20 0 CBADRP Cn1cnc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1=O ZINC000866010147 583914365 /nfs/dbraw/zinc/91/43/65/583914365.db2.gz FYUQQTVPKBHQTQ-CHWSQXEVSA-N 2 0 293.415 -0.044 20 0 CBADRP Cn1nnnc1CC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000866667614 583926556 /nfs/dbraw/zinc/92/65/56/583926556.db2.gz SJBDCPWRAWZZFG-JQWIXIFHSA-N 2 0 250.350 -0.187 20 0 CBADRP C[N@H+](CCc1ccc(C(N)=O)cc1)C[C@@H](O)C[NH3+] ZINC000866666975 583926581 /nfs/dbraw/zinc/92/65/81/583926581.db2.gz YDWWMXGANZHHKA-LBPRGKRZSA-N 2 0 251.330 -0.421 20 0 CBADRP COC(=O)CCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712765 583928310 /nfs/dbraw/zinc/92/83/10/583928310.db2.gz WOTCVSPTRZWOPM-TUAOUCFPSA-N 2 0 297.355 -0.194 20 0 CBADRP COC[C@H](C)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714120 583928316 /nfs/dbraw/zinc/92/83/16/583928316.db2.gz GSBMBKKKSVJEMM-QCNOEVLYSA-N 2 0 269.345 -0.112 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000866768054 583931778 /nfs/dbraw/zinc/93/17/78/583931778.db2.gz LUDOJJUKPFIUTO-MNOVXSKESA-N 2 0 261.391 -0.438 20 0 CBADRP C[C@H]([NH3+])CN(C)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000866781924 583932659 /nfs/dbraw/zinc/93/26/59/583932659.db2.gz VMOMUCIXFUKFTJ-VIFPVBQESA-N 2 0 264.395 -0.806 20 0 CBADRP C[C@H]([NH3+])CN(C)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000866782021 583932698 /nfs/dbraw/zinc/93/26/98/583932698.db2.gz ZNFRYIBGRZBTPQ-LBPRGKRZSA-N 2 0 292.449 -0.767 20 0 CBADRP C[C@@H](NC(=O)C[C@@H]1COCC[NH2+]1)C1CC[NH2+]CC1 ZINC000868006932 583969002 /nfs/dbraw/zinc/96/90/02/583969002.db2.gz ZYZVDFPYKAEWEU-ZYHUDNBSSA-N 2 0 255.362 -0.131 20 0 CBADRP COCCC1(NC(=O)C[C@H]2COCC[NH2+]2)CC[NH2+]CC1 ZINC000868043152 583969869 /nfs/dbraw/zinc/96/98/69/583969869.db2.gz BGHXYAKUPHRPSB-LBPRGKRZSA-N 2 0 285.388 -0.360 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC[C@H]21 ZINC000868386795 583976649 /nfs/dbraw/zinc/97/66/49/583976649.db2.gz JDDUBWURVFHSTM-JHJVBQTASA-N 2 0 294.399 -0.511 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC[C@@H]21 ZINC000868388375 583976846 /nfs/dbraw/zinc/97/68/46/583976846.db2.gz STBBUPSZFJWYFR-UPJWGTAASA-N 2 0 294.399 -0.511 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868390621 583977091 /nfs/dbraw/zinc/97/70/91/583977091.db2.gz NWIBLFYAZFOZNM-NEPJUHHUSA-N 2 0 282.388 -0.783 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868390992 583977122 /nfs/dbraw/zinc/97/71/22/583977122.db2.gz RLNWYNRRZCWTOR-IJLUTSLNSA-N 2 0 282.388 -0.655 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868390994 583977159 /nfs/dbraw/zinc/97/71/59/583977159.db2.gz RLNWYNRRZCWTOR-WOPDTQHZSA-N 2 0 282.388 -0.655 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868396190 583977256 /nfs/dbraw/zinc/97/72/56/583977256.db2.gz ILODLKNNKDVRPC-TUAOUCFPSA-N 2 0 282.388 -0.655 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868402747 583977499 /nfs/dbraw/zinc/97/74/99/583977499.db2.gz SHUKQJNQCPMCSW-NDBYEHHHSA-N 2 0 294.399 -0.513 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000868405081 583977760 /nfs/dbraw/zinc/97/77/60/583977760.db2.gz GZHXZRBUHQKOFV-UHFFFAOYSA-N 2 0 284.404 -0.264 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000868405764 583978023 /nfs/dbraw/zinc/97/80/23/583978023.db2.gz KEQYOOATLTZUOS-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CCC1(C)C ZINC000868407608 583978253 /nfs/dbraw/zinc/97/82/53/583978253.db2.gz YRUVPIHFSYRASN-LBPRGKRZSA-N 2 0 296.415 -0.264 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868421460 583979172 /nfs/dbraw/zinc/97/91/72/583979172.db2.gz LNMTYHBEXDIKCQ-NWDGAFQWSA-N 2 0 282.388 -0.641 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1C[NH+](C)C ZINC000870018753 584007383 /nfs/dbraw/zinc/00/73/83/584007383.db2.gz GOZSYARKVAPLKC-IJLUTSLNSA-N 2 0 298.387 -0.707 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870884461 584020516 /nfs/dbraw/zinc/02/05/16/584020516.db2.gz XPGFRECRBPKWNZ-UHXUPSOCSA-N 2 0 267.373 -0.049 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870884460 584020527 /nfs/dbraw/zinc/02/05/27/584020527.db2.gz XPGFRECRBPKWNZ-CZXHOFHRSA-N 2 0 267.373 -0.049 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870919117 584021681 /nfs/dbraw/zinc/02/16/81/584021681.db2.gz RRBLHUKCDGMFGY-IPYPFGDCSA-N 2 0 280.416 -0.133 20 0 CBADRP CN1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@H](C[NH3+])C1 ZINC000870938222 584021930 /nfs/dbraw/zinc/02/19/30/584021930.db2.gz HHXXMGGCTYAIGI-XZUYRWCXSA-N 2 0 252.362 -0.785 20 0 CBADRP CN1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@@H](C[NH3+])C1 ZINC000870938221 584022044 /nfs/dbraw/zinc/02/20/44/584022044.db2.gz HHXXMGGCTYAIGI-BLFANLJRSA-N 2 0 252.362 -0.785 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CCO1 ZINC000870938747 584022330 /nfs/dbraw/zinc/02/23/30/584022330.db2.gz VCSOVRNQPVMUBA-IIEKFROSSA-N 2 0 253.346 -0.312 20 0 CBADRP O=C(CC[NH2+]CC1CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000870944577 584022811 /nfs/dbraw/zinc/02/28/11/584022811.db2.gz ISYPMUILFMDZJF-LBPRGKRZSA-N 2 0 255.362 -0.129 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3COCC[NH2+]3)CC[C@@H]21 ZINC000870981049 584023936 /nfs/dbraw/zinc/02/39/36/584023936.db2.gz FLVJNHFFZJPMDC-UPJWGTAASA-N 2 0 267.373 -0.083 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870982266 584023980 /nfs/dbraw/zinc/02/39/80/584023980.db2.gz MEFJBTJPWXUSOH-GRYCIOLGSA-N 2 0 255.362 -0.097 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870996841 584024668 /nfs/dbraw/zinc/02/46/68/584024668.db2.gz HUIYGCKQIVQQHN-QCNOEVLYSA-N 2 0 296.371 -0.622 20 0 CBADRP COCCN(C)C(=[NH2+])NC[C@H](C)N1CC[NH+](C)CC1 ZINC000871604023 584043386 /nfs/dbraw/zinc/04/33/86/584043386.db2.gz PZEUMKBOXILULF-LBPRGKRZSA-N 2 0 271.409 -0.275 20 0 CBADRP COCCN(C)C(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 ZINC000871606556 584043655 /nfs/dbraw/zinc/04/36/55/584043655.db2.gz SGEDNVCSMSDQCX-NSHDSACASA-N 2 0 255.366 -0.911 20 0 CBADRP COCCN(C)C(=[NH2+])NC[C@H]1CCC[N@@H+]1CCCO ZINC000871607001 584043681 /nfs/dbraw/zinc/04/36/81/584043681.db2.gz UTERHBPJBDCWTP-GFCCVEGCSA-N 2 0 272.393 -0.064 20 0 CBADRP CC[C@H](C[C@@H](C)O)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000872243075 584052119 /nfs/dbraw/zinc/05/21/19/584052119.db2.gz RCLPTLASGPNGKE-MCIONIFRSA-N 2 0 273.421 -0.266 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C1=NO[C@H](C[NH3+])C1)C2 ZINC000872263364 584052685 /nfs/dbraw/zinc/05/26/85/584052685.db2.gz DCFOLCPDEFNXRQ-TVYUQYBPSA-N 2 0 266.345 -0.452 20 0 CBADRP COC[C@@]1(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C[NH2+]CCO1 ZINC000872276928 584053022 /nfs/dbraw/zinc/05/30/22/584053022.db2.gz UONUZOZBQVAPDY-SWLSCSKDSA-N 2 0 299.415 -0.114 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CCC1(C)C ZINC000872297610 584054910 /nfs/dbraw/zinc/05/49/10/584054910.db2.gz SANFZDUAMSIKQO-LBPRGKRZSA-N 2 0 284.404 -0.314 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[NH2+]CCC1(C)C ZINC000872301895 584055000 /nfs/dbraw/zinc/05/50/00/584055000.db2.gz WRKIDFXURCORGN-NSHDSACASA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)CC[NH2+]1 ZINC000873219238 584068869 /nfs/dbraw/zinc/06/88/69/584068869.db2.gz FLQZWWNPTHDPDI-KKOKHZNYSA-N 2 0 265.357 -0.079 20 0 CBADRP C[C@H]1C[C@H](C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)CC[NH2+]1 ZINC000873219240 584068991 /nfs/dbraw/zinc/06/89/91/584068991.db2.gz FLQZWWNPTHDPDI-WHOHXGKFSA-N 2 0 265.357 -0.079 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000873229422 584068998 /nfs/dbraw/zinc/06/89/98/584068998.db2.gz YITNBSXUZAUDRD-KCQAQPDRSA-N 3 0 280.416 -0.275 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000873248327 584069235 /nfs/dbraw/zinc/06/92/35/584069235.db2.gz DBOHAABGBCJIOV-GMXVVIOVSA-N 2 0 269.345 -0.075 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000873265982 584069554 /nfs/dbraw/zinc/06/95/54/584069554.db2.gz KVWAYZGOGVLGFS-GVXVVHGQSA-N 2 0 271.361 -0.670 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000873267160 584069867 /nfs/dbraw/zinc/06/98/67/584069867.db2.gz WXVYJSNZJWCCCG-YDHLFZDLSA-N 2 0 297.399 -0.279 20 0 CBADRP C[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+](C)C ZINC000874253195 584079160 /nfs/dbraw/zinc/07/91/60/584079160.db2.gz KEBYRPAEYRPZQV-GRYCIOLGSA-N 2 0 255.362 -0.084 20 0 CBADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCCCN1CC[NH2+]CC1 ZINC000876502950 584129820 /nfs/dbraw/zinc/12/98/20/584129820.db2.gz UGUOIODXBBMPIQ-WSNITJDQSA-N 2 0 280.416 -0.046 20 0 CBADRP COC[C@]1(C(=O)NCC2([NH3+])CCCCC2)C[NH2+]CCO1 ZINC000876505061 584129954 /nfs/dbraw/zinc/12/99/54/584129954.db2.gz JRKJSQPDYRYGAX-AWEZNQCLSA-N 2 0 285.388 -0.231 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H]2CCC[NH2+]C2)C[NH2+]CCO1 ZINC000876512928 584130447 /nfs/dbraw/zinc/13/04/47/584130447.db2.gz CNFWOUJRUCFSRF-DGCLKSJQSA-N 2 0 271.361 -0.893 20 0 CBADRP COC[C@@]1(C(=O)N2CCC[C@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000876515056 584130592 /nfs/dbraw/zinc/13/05/92/584130592.db2.gz WQYPITUBEZOLGU-DGCLKSJQSA-N 2 0 271.361 -0.811 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H]([NH3+])c2ccccc2)C[NH2+]CCO1 ZINC000876525435 584131095 /nfs/dbraw/zinc/13/10/95/584131095.db2.gz JZJXAOQPEUIECI-DZGCQCFKSA-N 2 0 293.367 -0.192 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876525916 584131228 /nfs/dbraw/zinc/13/12/28/584131228.db2.gz MRXINKYPADOERF-NWDGAFQWSA-N 2 0 272.368 -0.702 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876525977 584131264 /nfs/dbraw/zinc/13/12/64/584131264.db2.gz OJCLBOQCDOWWKF-ISZGNANSSA-N 2 0 280.416 -0.094 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876525932 584131272 /nfs/dbraw/zinc/13/12/72/584131272.db2.gz NECXPABUXDIQPB-RYUDHWBXSA-N 2 0 268.405 -0.277 20 0 CBADRP CC[NH2+]CC1CCN(C(=O)[C@]2(COC)C[NH2+]CCO2)CC1 ZINC000876540904 584132443 /nfs/dbraw/zinc/13/24/43/584132443.db2.gz QIVRBFPLPGONDP-OAHLLOKOSA-N 2 0 299.415 -0.161 20 0 CBADRP CC[NH2+]CC1CCN(C(=O)[C@@]2(COC)C[NH2+]CCO2)CC1 ZINC000876540903 584132573 /nfs/dbraw/zinc/13/25/73/584132573.db2.gz QIVRBFPLPGONDP-HNNXBMFYSA-N 2 0 299.415 -0.161 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2(C)C)CCO1 ZINC000876544455 584133058 /nfs/dbraw/zinc/13/30/58/584133058.db2.gz UJCNVCGRXQMJHO-VLEAKVRGSA-N 2 0 255.362 -0.066 20 0 CBADRP C[C@H]1C[NH+](CCCNC(=O)[C@@H](N)C[NH+](C)C)C[C@H](C)O1 ZINC000876715758 584140763 /nfs/dbraw/zinc/14/07/63/584140763.db2.gz ACIPLLLMTGCWGB-AVGNSLFASA-N 2 0 286.420 -0.509 20 0 CBADRP COC[C@]1(C(=O)NCC[NH+]2CCC(C)CC2)C[NH2+]CCO1 ZINC000876722924 584141107 /nfs/dbraw/zinc/14/11/07/584141107.db2.gz IFGPTICVYQDMPG-HNNXBMFYSA-N 2 0 299.415 -0.161 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C[NH2+]CCO1 ZINC000876726844 584141293 /nfs/dbraw/zinc/14/12/93/584141293.db2.gz ALBGRVUAJGCLKU-YDHLFZDLSA-N 2 0 297.399 -0.266 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000876730425 584141297 /nfs/dbraw/zinc/14/12/97/584141297.db2.gz GELHDSFNSAZGTL-NSHDSACASA-N 2 0 265.361 -0.051 20 0 CBADRP COC[C@@]1(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C[NH2+]CCO1 ZINC000876728468 584141362 /nfs/dbraw/zinc/14/13/62/584141362.db2.gz MXIBHFBAAFSYRV-UKRRQHHQSA-N 2 0 299.415 -0.208 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[NH2+]CCO1 ZINC000876726842 584141374 /nfs/dbraw/zinc/14/13/74/584141374.db2.gz ALBGRVUAJGCLKU-IPYPFGDCSA-N 2 0 297.399 -0.266 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000876726849 584141412 /nfs/dbraw/zinc/14/14/12/584141412.db2.gz ANAGZAKTVWYVQV-SWLSCSKDSA-N 2 0 297.399 -0.408 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000876726847 584141438 /nfs/dbraw/zinc/14/14/38/584141438.db2.gz ANAGZAKTVWYVQV-DOMZBBRYSA-N 2 0 297.399 -0.408 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000876751284 584142520 /nfs/dbraw/zinc/14/25/20/584142520.db2.gz OIRHNYCOUCWYBG-UKRRQHHQSA-N 2 0 299.415 -0.018 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)C1 ZINC000876754150 584142867 /nfs/dbraw/zinc/14/28/67/584142867.db2.gz CBDRGYSGLBQMBL-SDDRHHMPSA-N 2 0 273.352 -0.229 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H](N)C[NH+](C)C ZINC000876766083 584143082 /nfs/dbraw/zinc/14/30/82/584143082.db2.gz APLISPSEWROFOG-NEPJUHHUSA-N 2 0 256.394 -0.134 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876770290 584143652 /nfs/dbraw/zinc/14/36/52/584143652.db2.gz BXHQGEKBGLENQG-UWVGGRQHSA-N 2 0 279.331 -0.089 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)c1c(C[NH3+])cnn1C ZINC000876775756 584143903 /nfs/dbraw/zinc/14/39/03/584143903.db2.gz FLHNCIUFQVXNLK-LBPRGKRZSA-N 2 0 297.403 -0.035 20 0 CBADRP COC[C@]1(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH2+]CCO1 ZINC000876772853 584144026 /nfs/dbraw/zinc/14/40/26/584144026.db2.gz SMCNNMQYGIUJML-NFAWXSAZSA-N 2 0 299.415 -0.068 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C[N@@H+]1C1CC1 ZINC000876779608 584144216 /nfs/dbraw/zinc/14/42/16/584144216.db2.gz AAYWCFINLRDBQS-UMNHJUIQSA-N 2 0 254.378 -0.383 20 0 CBADRP C[NH+]1CCN(CCNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC000876780269 584144312 /nfs/dbraw/zinc/14/43/12/584144312.db2.gz DKSOTECTHVLTQC-NNTXTVRGSA-N 2 0 280.416 -0.094 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000876784121 584144515 /nfs/dbraw/zinc/14/45/15/584144515.db2.gz XVQYRJQPLLBCQG-SNSPGFKJSA-N 2 0 280.416 -0.240 20 0 CBADRP COCC[NH2+]CCNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876792768 584144915 /nfs/dbraw/zinc/14/49/15/584144915.db2.gz YYJDCAKHMSVJDZ-ITKZLYELSA-N 2 0 255.362 -0.106 20 0 CBADRP C[NH2+]CCC1CCN(C(=O)[C@]2(COC)C[NH2+]CCO2)CC1 ZINC000876792798 584145208 /nfs/dbraw/zinc/14/52/08/584145208.db2.gz ZZNANPVADZPEGF-OAHLLOKOSA-N 2 0 299.415 -0.161 20 0 CBADRP COC[C@]1(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[NH2+]CCO1 ZINC000876799631 584145502 /nfs/dbraw/zinc/14/55/02/584145502.db2.gz IOEWQMDJFCNVFO-XFMPKHEZSA-N 2 0 297.399 -0.423 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000876799609 584145650 /nfs/dbraw/zinc/14/56/50/584145650.db2.gz IHIPEHKBYDMRSL-USZNOCQGSA-N 2 0 254.378 -0.539 20 0 CBADRP COC[C@]1(C(=O)NCC2=CC[NH2+]CC2)C[NH2+]CCO1 ZINC000876808731 584147261 /nfs/dbraw/zinc/14/72/61/584147261.db2.gz AMDIROPYPGXWTM-ZDUSSCGKSA-N 2 0 269.345 -0.973 20 0 CBADRP COC[C@]1(C(=O)N2CCC(C)([NH3+])CC2)C[NH2+]CCO1 ZINC000876828064 584147810 /nfs/dbraw/zinc/14/78/10/584147810.db2.gz XTFCOJXWRCGDHG-ZDUSSCGKSA-N 2 0 271.361 -0.669 20 0 CBADRP COCC1(CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC[NH2+]CC1 ZINC000876843293 584148718 /nfs/dbraw/zinc/14/87/18/584148718.db2.gz MYDKFRDZNKRDOX-UWVGGRQHSA-N 2 0 291.342 -0.041 20 0 CBADRP COC[C@]1(CNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000876848029 584149428 /nfs/dbraw/zinc/14/94/28/584149428.db2.gz GQUMCWAOOKYPDM-NQBHXWOUSA-N 2 0 273.352 -0.181 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876849213 584149476 /nfs/dbraw/zinc/14/94/76/584149476.db2.gz QYSXAWOGHZWYJL-CIUDSAMLSA-N 2 0 291.298 -0.810 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CCC12CC(C1)C[NH2+]2 ZINC000876849705 584149622 /nfs/dbraw/zinc/14/96/22/584149622.db2.gz WMIKPSPPSYAXCA-MQYJIDSJSA-N 2 0 295.383 -0.118 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC23CC[NH2+]CC3)C[NH2+]CCO1 ZINC000876855274 584150125 /nfs/dbraw/zinc/15/01/25/584150125.db2.gz QCYGHZOXCOHVAO-RISCZKNCSA-N 2 0 283.372 -0.750 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000876854610 584150192 /nfs/dbraw/zinc/15/01/92/584150192.db2.gz UJKJXRQCLCDHRW-STQMWFEESA-N 2 0 268.405 -0.277 20 0 CBADRP COC[C@]1(C(=O)N[C@H](C)CCC[NH3+])C[NH2+]CCO1 ZINC000876858449 584150488 /nfs/dbraw/zinc/15/04/88/584150488.db2.gz SSWBRNVVLHMKLP-PWSUYJOCSA-N 2 0 259.350 -0.765 20 0 CBADRP COC[C@]1(C(=O)N[C@@H](C)CCC[NH3+])C[NH2+]CCO1 ZINC000876858448 584150509 /nfs/dbraw/zinc/15/05/09/584150509.db2.gz SSWBRNVVLHMKLP-JQWIXIFHSA-N 2 0 259.350 -0.765 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)C(F)F ZINC000876863839 584150730 /nfs/dbraw/zinc/15/07/30/584150730.db2.gz KSVNXVXSAWKHCJ-JKUQZMGJSA-N 2 0 257.231 -0.075 20 0 CBADRP COC[C@]1(C(=O)N[C@H](CC[NH3+])C(F)F)C[NH2+]CCO1 ZINC000876863687 584150789 /nfs/dbraw/zinc/15/07/89/584150789.db2.gz JDXAWFJXPCWNIB-KCJUWKMLSA-N 2 0 281.303 -0.910 20 0 CBADRP C[C@@]1(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C[NH2+]CCO1 ZINC000876866579 584151053 /nfs/dbraw/zinc/15/10/53/584151053.db2.gz VHJLNYWQWJWCNU-SCZZXKLOSA-N 2 0 263.288 -0.522 20 0 CBADRP COC[C@@]1(C(=O)NC2CC[NH+](C(C)C)CC2)C[NH2+]CCO1 ZINC000876872970 584151795 /nfs/dbraw/zinc/15/17/95/584151795.db2.gz SKRUVXAFRRZZNI-OAHLLOKOSA-N 2 0 299.415 -0.020 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000876871301 584151937 /nfs/dbraw/zinc/15/19/37/584151937.db2.gz UWOHEKVMHBHRSN-GVXVVHGQSA-N 2 0 271.361 -0.765 20 0 CBADRP COC[C@]1(C(=O)N2CC[NH2+]C(C)(C)C2)C[NH2+]CCO1 ZINC000876872744 584151941 /nfs/dbraw/zinc/15/19/41/584151941.db2.gz LLCQXIMOPVEWMZ-ZDUSSCGKSA-N 2 0 271.361 -0.798 20 0 CBADRP COC[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH2+]CCO1 ZINC000876885068 584153095 /nfs/dbraw/zinc/15/30/95/584153095.db2.gz UDTSZYHUZSRJHL-VNHYZAJKSA-N 2 0 297.399 -0.314 20 0 CBADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876886638 584153378 /nfs/dbraw/zinc/15/33/78/584153378.db2.gz WKVSODWJNFCXAH-RYUDHWBXSA-N 2 0 256.394 -0.326 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000876913509 584154873 /nfs/dbraw/zinc/15/48/73/584154873.db2.gz HBKFEPHVSJVYDU-RUXDESIVSA-N 2 0 297.447 -0.792 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000876921843 584155972 /nfs/dbraw/zinc/15/59/72/584155972.db2.gz TWLAAPLWBREZSZ-MJBXVCDLSA-N 2 0 294.374 -0.032 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000876937591 584156690 /nfs/dbraw/zinc/15/66/90/584156690.db2.gz ZDWSVFUFTKALGK-KBPBESRZSA-N 2 0 276.384 -0.040 20 0 CBADRP COC[C@]1(C(=O)NCc2ccc(C[NH3+])cc2)C[NH2+]CCO1 ZINC000876938708 584156727 /nfs/dbraw/zinc/15/67/27/584156727.db2.gz OISQONLHVGRTGY-HNNXBMFYSA-N 2 0 293.367 -0.234 20 0 CBADRP COC[C@]1(C(=O)N2CC3CCC2(C[NH3+])CC3)C[NH2+]CCO1 ZINC000876941623 584156932 /nfs/dbraw/zinc/15/69/32/584156932.db2.gz IPSKSFWVUKYXFL-ZALBZXLWSA-N 2 0 297.399 -0.279 20 0 CBADRP COC[C@@]1(C(=O)N2CCC(CC[NH3+])CC2)C[NH2+]CCO1 ZINC000876948247 584157587 /nfs/dbraw/zinc/15/75/87/584157587.db2.gz JPOCBCKQTCDLAC-CQSZACIVSA-N 2 0 285.388 -0.421 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000876948095 584157613 /nfs/dbraw/zinc/15/76/13/584157613.db2.gz FONVWUCRCBSYIA-KKOKHZNYSA-N 2 0 273.352 -0.244 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000876950653 584157772 /nfs/dbraw/zinc/15/77/72/584157772.db2.gz RMFFTUNKTLXZPX-RQJABVFESA-N 2 0 298.431 -0.237 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)c1c(C[NH3+])cnn1C ZINC000876960684 584158400 /nfs/dbraw/zinc/15/84/00/584158400.db2.gz KAQUWCGMHBXNLM-UHFFFAOYSA-N 2 0 296.419 -0.508 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000876985241 584159931 /nfs/dbraw/zinc/15/99/31/584159931.db2.gz ORQPZSYTHBWDKH-GWCFXTLKSA-N 2 0 263.345 -0.168 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CC[NH2+]C23CCC3)=NO1 ZINC000877006263 584161390 /nfs/dbraw/zinc/16/13/90/584161390.db2.gz ZCCMNMSNPANCPL-WPRPVWTQSA-N 2 0 252.318 -0.509 20 0 CBADRP COC[C@@]1(C(=O)N[C@H]2CC[NH2+]C23CCC3)C[NH2+]CCO1 ZINC000877005255 584161407 /nfs/dbraw/zinc/16/14/07/584161407.db2.gz PYVRTADSLRVWCU-SMDDNHRTSA-N 2 0 283.372 -0.608 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000877022428 584161968 /nfs/dbraw/zinc/16/19/68/584161968.db2.gz UKPYHRQUNDVZKA-GXSJLCMTSA-N 2 0 263.345 -0.074 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877023728 584162042 /nfs/dbraw/zinc/16/20/42/584162042.db2.gz CFLRVOGPDQCESE-YPMHNXCESA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCCNC(=O)C1)N1CC[NH+](C)CC1 ZINC000877022802 584162047 /nfs/dbraw/zinc/16/20/47/584162047.db2.gz SWXXCCBZNRENDF-QWHCGFSZSA-N 2 0 268.405 -0.119 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C[NH2+]1 ZINC000877052936 584164327 /nfs/dbraw/zinc/16/43/27/584164327.db2.gz YSTIYZPXVIVANY-IUCAKERBSA-N 2 0 263.345 -0.074 20 0 CBADRP CN(CCOCC[NH3+])C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000877056434 584164420 /nfs/dbraw/zinc/16/44/20/584164420.db2.gz LOOISFKQMIVLFH-QMAVJUDZSA-N 2 0 255.362 -0.024 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1C[NH+](C)C ZINC000877143574 584168027 /nfs/dbraw/zinc/16/80/27/584168027.db2.gz SDVZTIPMAOBHNW-ZSAUSMIDSA-N 3 0 294.443 -0.350 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)C[C@H]1C[NH+](C)C ZINC000877143521 584168068 /nfs/dbraw/zinc/16/80/68/584168068.db2.gz QNEMDHDJRKUMJW-MGPQQGTHSA-N 3 0 298.431 -0.827 20 0 CBADRP C[NH2+]CCC(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000877206373 584170347 /nfs/dbraw/zinc/17/03/47/584170347.db2.gz GYZRLPLYNHSDBD-UHFFFAOYSA-N 2 0 288.355 -0.048 20 0 CBADRP COC[C@@]1(C(=O)N2CC[N@H+](C)C(C)(C)CC2)C[NH2+]CCO1 ZINC000877206593 584170644 /nfs/dbraw/zinc/17/06/44/584170644.db2.gz MLOXTZZKXXGBSC-OAHLLOKOSA-N 2 0 299.415 -0.066 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]CCO1 ZINC000877246124 584172271 /nfs/dbraw/zinc/17/22/71/584172271.db2.gz PHTHJGMUULVMJS-XFMPKHEZSA-N 2 0 297.399 -0.362 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)CN3CC[NH2+]CC3)CC[C@H]21 ZINC000877248578 584172319 /nfs/dbraw/zinc/17/23/19/584172319.db2.gz BQXAYBQIZHPFBV-QWHCGFSZSA-N 2 0 266.389 -0.556 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[NH2+]CC3)CC[C@H]21 ZINC000877248576 584172340 /nfs/dbraw/zinc/17/23/40/584172340.db2.gz BQXAYBQIZHPFBV-CHWSQXEVSA-N 2 0 266.389 -0.556 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877250630 584172570 /nfs/dbraw/zinc/17/25/70/584172570.db2.gz QYSOXRZCVICPAW-SCRDCRAPSA-N 2 0 296.415 -0.362 20 0 CBADRP COC[C@]1(C(=O)N[C@H](C)C2CC[NH2+]CC2)C[NH2+]CCO1 ZINC000877251528 584172962 /nfs/dbraw/zinc/17/29/62/584172962.db2.gz APVDUVFEPQCVDM-RISCZKNCSA-N 2 0 285.388 -0.504 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000877282176 584175717 /nfs/dbraw/zinc/17/57/17/584175717.db2.gz LJNBBLYFXPVFOL-KGLIPLIRSA-N 2 0 280.416 -0.023 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877289920 584176066 /nfs/dbraw/zinc/17/60/66/584176066.db2.gz WUKDKJIPCBVWHV-UTUOFQBUSA-N 2 0 253.346 -0.282 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877289805 584176156 /nfs/dbraw/zinc/17/61/56/584176156.db2.gz WUKDKJIPCBVWHV-GRYCIOLGSA-N 2 0 253.346 -0.282 20 0 CBADRP C[C@@]1(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[NH2+]CCO1 ZINC000877326905 584178402 /nfs/dbraw/zinc/17/84/02/584178402.db2.gz ISWRXTISVPHYSR-OCCSQVGLSA-N 2 0 297.399 -0.360 20 0 CBADRP C[C@@H]([NH3+])CC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877327454 584178641 /nfs/dbraw/zinc/17/86/41/584178641.db2.gz SWCJYZPVFWDMJT-MNOVXSKESA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000877328495 584178666 /nfs/dbraw/zinc/17/86/66/584178666.db2.gz HROWICVMVNZBRD-TUAOUCFPSA-N 2 0 267.373 -0.001 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877332246 584178834 /nfs/dbraw/zinc/17/88/34/584178834.db2.gz WVBYMJPAOQSTFY-CHWSQXEVSA-N 2 0 297.399 -0.360 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877338682 584179091 /nfs/dbraw/zinc/17/90/91/584179091.db2.gz JYJJQGZCQSVJML-KGLIPLIRSA-N 2 0 276.384 -0.294 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877361218 584179587 /nfs/dbraw/zinc/17/95/87/584179587.db2.gz RQZNODTYIAAQIE-CIUDSAMLSA-N 2 0 283.294 -0.054 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)C2 ZINC000877371059 584179718 /nfs/dbraw/zinc/17/97/18/584179718.db2.gz KSQHLIOLELMFDC-FTYOSLGDSA-N 2 0 259.300 -0.106 20 0 CBADRP COCC[NH2+]CC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877371845 584179745 /nfs/dbraw/zinc/17/97/45/584179745.db2.gz WQBMHDCTRUJAMW-RKDXNWHRSA-N 2 0 283.294 -0.182 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C[C@@H]1COCC[NH2+]1)C2 ZINC000877373692 584179869 /nfs/dbraw/zinc/17/98/69/584179869.db2.gz FIEICLRGHFTSBF-DMDPSCGWSA-N 2 0 253.346 -0.567 20 0 CBADRP COC[C@@]1(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC[NH2+]C1 ZINC000877372941 584179903 /nfs/dbraw/zinc/17/99/03/584179903.db2.gz KVNCVEBZCOGMBW-IACUBPJLSA-N 2 0 267.373 -0.320 20 0 CBADRP CN(CCCCCC[NH3+])C(=O)CN1CC[NH2+]CC1 ZINC000877434247 584181472 /nfs/dbraw/zinc/18/14/72/584181472.db2.gz BDGLKAUNSGDOTH-UHFFFAOYSA-N 2 0 256.394 -0.131 20 0 CBADRP COC[C@@]1(C(=O)N(C)CCCCCC[NH3+])C[NH2+]CCO1 ZINC000877435641 584182006 /nfs/dbraw/zinc/18/20/06/584182006.db2.gz VMEMHMOJSGYELT-CQSZACIVSA-N 2 0 287.404 -0.031 20 0 CBADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2CC(N)=O)CC1 ZINC000878053171 584191654 /nfs/dbraw/zinc/19/16/54/584191654.db2.gz VSOGVEPDOBBFRN-CYBMUJFWSA-N 2 0 296.415 -0.073 20 0 CBADRP CNC(=O)[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878093167 584192290 /nfs/dbraw/zinc/19/22/90/584192290.db2.gz CIOADSPKEXZMFP-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@H+](CCCO)CC(=O)NC1CC[NH+](C)CC1 ZINC000878150487 584194161 /nfs/dbraw/zinc/19/41/61/584194161.db2.gz FBQMGZFTXLIVRK-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCn2cnnn2)CC1 ZINC000878230671 584197083 /nfs/dbraw/zinc/19/70/83/584197083.db2.gz UFLIYVKKBAXCKS-UHFFFAOYSA-N 2 0 295.391 -0.937 20 0 CBADRP C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878319502 584199415 /nfs/dbraw/zinc/19/94/15/584199415.db2.gz UPKWTIQSICANMA-PWSUYJOCSA-N 2 0 255.362 -0.348 20 0 CBADRP C[NH+]1CCC(NC(=O)C[NH2+][C@@H](CCO)C2CC2)CC1 ZINC000878420546 584202310 /nfs/dbraw/zinc/20/23/10/584202310.db2.gz QNMRSWSBFFHUEJ-ZDUSSCGKSA-N 2 0 269.389 -0.053 20 0 CBADRP CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H](C)CO ZINC000878654128 584212099 /nfs/dbraw/zinc/21/20/99/584212099.db2.gz NVQLUSIXXONDPD-NSHDSACASA-N 2 0 257.378 -0.101 20 0 CBADRP Cn1nnc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)n1 ZINC000878945108 584221204 /nfs/dbraw/zinc/22/12/04/584221204.db2.gz DVMNHEHGARELEQ-UHFFFAOYSA-N 2 0 297.407 -0.444 20 0 CBADRP CO[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)[C@@](C)(CO)C1 ZINC000879261447 584230963 /nfs/dbraw/zinc/23/09/63/584230963.db2.gz KMRDAZHRJZEZAT-DZGCQCFKSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CCC(c2nnnn2C)CC1 ZINC000879916168 584253612 /nfs/dbraw/zinc/25/36/12/584253612.db2.gz JGAUNVMUPCPUNA-LBPRGKRZSA-N 2 0 282.392 -0.298 20 0 CBADRP OC[C@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H](O)C[NH+]1CCCC1 ZINC000880070672 584260436 /nfs/dbraw/zinc/26/04/36/584260436.db2.gz KBGFRCKJFCLMAU-RRFJBIMHSA-N 2 0 283.416 -0.416 20 0 CBADRP CO[C@@H]1COCC[C@@H]1[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000880434823 584273834 /nfs/dbraw/zinc/27/38/34/584273834.db2.gz GWRJWUCXVJVQRM-UONOGXRCSA-N 2 0 299.415 -0.068 20 0 CBADRP CC[N@@H+]1CC[C@H]1CNC(=O)CN1CC[NH+](CC)CC1 ZINC000882487282 584318557 /nfs/dbraw/zinc/31/85/57/584318557.db2.gz CHIWPXWEKKGHHM-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](CCc2cn[nH]c2)C1 ZINC000883439221 584342453 /nfs/dbraw/zinc/34/24/53/584342453.db2.gz LZVPVXDQLILFDM-FRRDWIJNSA-N 2 0 291.355 -0.181 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000884014923 584355601 /nfs/dbraw/zinc/35/56/01/584355601.db2.gz BLITYJXJKMFTIV-LLVKDONJSA-N 2 0 254.378 -0.747 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)NCCN1CC[NH2+]CC1 ZINC000884014981 584355682 /nfs/dbraw/zinc/35/56/82/584355682.db2.gz DJDHKFSTWYRKML-LBPRGKRZSA-N 2 0 256.394 -0.358 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884017857 584355903 /nfs/dbraw/zinc/35/59/03/584355903.db2.gz HXBOPAPUAPPXCA-GFCCVEGCSA-N 2 0 289.383 -0.075 20 0 CBADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000884016168 584355971 /nfs/dbraw/zinc/35/59/71/584355971.db2.gz PDHWRSJYSWIYKT-GFCCVEGCSA-N 2 0 284.404 -0.456 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC2(C)C)CCO1 ZINC000884042464 584357315 /nfs/dbraw/zinc/35/73/15/584357315.db2.gz AKEVEOZVIVPMFN-GARJFASQSA-N 2 0 255.362 -0.193 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000884196720 584365286 /nfs/dbraw/zinc/36/52/86/584365286.db2.gz YUWDBRWFLIQKQI-UPJWGTAASA-N 2 0 287.404 -0.034 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)NCCN1CC[NH+](C)CC1 ZINC000884233501 584368930 /nfs/dbraw/zinc/36/89/30/584368930.db2.gz RBVAXCQBVMRIHJ-ZDUSSCGKSA-N 2 0 270.421 -0.016 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000884235775 584369292 /nfs/dbraw/zinc/36/92/92/584369292.db2.gz DXIWQTYVOICJCX-STQMWFEESA-N 2 0 270.421 -0.018 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884269829 584371236 /nfs/dbraw/zinc/37/12/36/584371236.db2.gz ZEBLWZBEBOKFGO-JTQLQIEISA-N 2 0 263.345 -0.432 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000884286702 584372296 /nfs/dbraw/zinc/37/22/96/584372296.db2.gz JSXIDRBEYPCRDX-MNOVXSKESA-N 2 0 269.345 -0.523 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000884316178 584373782 /nfs/dbraw/zinc/37/37/82/584373782.db2.gz LOUMVFYLQIESON-WOPDTQHZSA-N 2 0 255.362 -0.097 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000884348090 584375668 /nfs/dbraw/zinc/37/56/68/584375668.db2.gz NTEUYDUFBFAFIS-GMTAPVOTSA-N 2 0 255.362 -0.003 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000884358785 584376085 /nfs/dbraw/zinc/37/60/85/584376085.db2.gz YAGBWPSURHSTPC-NXEZZACHSA-N 2 0 263.345 -0.089 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000884363739 584376728 /nfs/dbraw/zinc/37/67/28/584376728.db2.gz HXQXXGYZKPXUQD-NRUUGDAUSA-N 2 0 255.362 -0.016 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000884363855 584376743 /nfs/dbraw/zinc/37/67/43/584376743.db2.gz JYMBYQAGANRXKW-WJZNIJOASA-N 2 0 255.362 -0.005 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000884363857 584376745 /nfs/dbraw/zinc/37/67/45/584376745.db2.gz JYMBYQAGANRXKW-XHSYRHOGSA-N 2 0 255.362 -0.005 20 0 CBADRP C[S@](=O)C1(C(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)CC[NH2+]CC1 ZINC000884365971 584376991 /nfs/dbraw/zinc/37/69/91/584376991.db2.gz RNJVVXWFLHYDSE-QGRDJGHBSA-N 2 0 287.429 -0.271 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]([NH3+])CC3CC3)C[C@H]2[NH3+])cn1 ZINC000884371842 584377363 /nfs/dbraw/zinc/37/73/63/584377363.db2.gz ZMJVBARSWBWBKQ-RWMBFGLXSA-N 2 0 277.372 -0.199 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000884412644 584380173 /nfs/dbraw/zinc/38/01/73/584380173.db2.gz XHKZRUYGEWUADS-KBPBESRZSA-N 2 0 298.431 -0.413 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884434879 584381234 /nfs/dbraw/zinc/38/12/34/584381234.db2.gz AUPBEIQJGWIMNE-LLVKDONJSA-N 2 0 257.378 -0.074 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCC1([NH3+])CCOCC1 ZINC000884432801 584381239 /nfs/dbraw/zinc/38/12/39/584381239.db2.gz QDXDCLGFWZEOLE-SNVBAGLBSA-N 2 0 255.362 -0.144 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000884490699 584384720 /nfs/dbraw/zinc/38/47/20/584384720.db2.gz DNBGUFRADZHWKO-XQHKEYJVSA-N 2 0 296.415 -0.077 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000884490698 584384818 /nfs/dbraw/zinc/38/48/18/584384818.db2.gz DNBGUFRADZHWKO-VOAKCMCISA-N 2 0 296.415 -0.077 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000884491512 584385024 /nfs/dbraw/zinc/38/50/24/584385024.db2.gz XCGISOZUNQKOOQ-RVMXOQNASA-N 2 0 294.399 -0.452 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000884491514 584385051 /nfs/dbraw/zinc/38/50/51/584385051.db2.gz XCGISOZUNQKOOQ-XQHKEYJVSA-N 2 0 294.399 -0.452 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884545663 584387383 /nfs/dbraw/zinc/38/73/83/584387383.db2.gz NZDFSLFCCYIHHN-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000884553561 584387806 /nfs/dbraw/zinc/38/78/06/584387806.db2.gz BAOAOWSRPHJQIT-WISYIIOYSA-N 2 0 294.399 -0.324 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000884554383 584387881 /nfs/dbraw/zinc/38/78/81/584387881.db2.gz SGKDNFLTVJMFTJ-MNOVXSKESA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884577495 584388772 /nfs/dbraw/zinc/38/87/72/584388772.db2.gz GUFDASNDUCXIMI-AGIUHOORSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884601744 584389667 /nfs/dbraw/zinc/38/96/67/584389667.db2.gz UQPJEQYFPPRFPA-SRVKXCTJSA-N 2 0 284.404 -0.219 20 0 CBADRP CCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000884617149 584391069 /nfs/dbraw/zinc/39/10/69/584391069.db2.gz ISQKPBPKJZUDOG-WCQYABFASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)[N@H+](C)C1CC1 ZINC000884616901 584391154 /nfs/dbraw/zinc/39/11/54/584391154.db2.gz DTVJRCJEWNCXGV-MXWKQRLJSA-N 2 0 282.388 -0.467 20 0 CBADRP CCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1)[C@H]1CC[NH2+]C1 ZINC000884617147 584391181 /nfs/dbraw/zinc/39/11/81/584391181.db2.gz ISQKPBPKJZUDOG-AAEUAGOBSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1=CC[N@H+](C)CC1 ZINC000884624097 584391750 /nfs/dbraw/zinc/39/17/50/584391750.db2.gz YAPWVFVOLBUPJI-WXHSDQCUSA-N 2 0 292.383 -0.674 20 0 CBADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884631522 584392316 /nfs/dbraw/zinc/39/23/16/584392316.db2.gz NBRTZLBOTHOOSL-AGIUHOORSA-N 2 0 292.383 -0.840 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884650517 584392462 /nfs/dbraw/zinc/39/24/62/584392462.db2.gz MQMZWHAJNXTWFF-QWRGUYRKSA-N 2 0 268.361 -0.983 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884650661 584392479 /nfs/dbraw/zinc/39/24/79/584392479.db2.gz QXPCJCBLLVLPQY-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000884659007 584393154 /nfs/dbraw/zinc/39/31/54/584393154.db2.gz GECBKGCPPVJVGY-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884659280 584393241 /nfs/dbraw/zinc/39/32/41/584393241.db2.gz NICYBXRLVNHSGP-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCC[NH3+])CC[C@@H]21 ZINC000884672998 584394195 /nfs/dbraw/zinc/39/41/95/584394195.db2.gz JVMVOKLJVBKAJD-MNOVXSKESA-N 2 0 268.361 -0.996 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884675908 584394937 /nfs/dbraw/zinc/39/49/37/584394937.db2.gz UUFYRBNNSDYYGT-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884676517 584394967 /nfs/dbraw/zinc/39/49/67/584394967.db2.gz PAGYAWCLNKHLNA-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000884678303 584395190 /nfs/dbraw/zinc/39/51/90/584395190.db2.gz WHTADBAGAICBBG-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCC[NH2+]C3CC3)CC[C@H]21 ZINC000884690368 584397364 /nfs/dbraw/zinc/39/73/64/584397364.db2.gz WPOVVEOPJNTIPS-WCQYABFASA-N 2 0 294.399 -0.593 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCC[NH2+]C3CC3)CC[C@@H]21 ZINC000884690366 584397418 /nfs/dbraw/zinc/39/74/18/584397418.db2.gz WPOVVEOPJNTIPS-AAEUAGOBSA-N 2 0 294.399 -0.593 20 0 CBADRP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000884692805 584397802 /nfs/dbraw/zinc/39/78/02/584397802.db2.gz YWQBYRANPMCRPB-UHFFFAOYSA-N 2 0 294.399 -0.449 20 0 CBADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000884692886 584397818 /nfs/dbraw/zinc/39/78/18/584397818.db2.gz CORLONRGAJUGLY-UHFFFAOYSA-N 2 0 296.415 -0.299 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CCC1(C)C ZINC000884693772 584398115 /nfs/dbraw/zinc/39/81/15/584398115.db2.gz NXNVTFVRFNKHKY-UHFFFAOYSA-N 2 0 282.388 -0.735 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884701590 584398587 /nfs/dbraw/zinc/39/85/87/584398587.db2.gz KZMMLFYKIGGDOZ-YNEHKIRRSA-N 2 0 296.415 -0.362 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884704687 584399278 /nfs/dbraw/zinc/39/92/78/584399278.db2.gz PFJVQKYSFISWNM-MXWKQRLJSA-N 2 0 268.361 -0.998 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCC(C)(C)[NH3+])CC[C@H]21 ZINC000884709028 584399806 /nfs/dbraw/zinc/39/98/06/584399806.db2.gz SGUZWBXOULDVRU-WDEREUQCSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000884728052 584401008 /nfs/dbraw/zinc/40/10/08/584401008.db2.gz HLKVIDGIOMXMHH-ZFDZMSFRSA-N 2 0 296.415 -0.077 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884878583 584404704 /nfs/dbraw/zinc/40/47/04/584404704.db2.gz AYYVBTDIVYCNKL-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884970013 584405907 /nfs/dbraw/zinc/40/59/07/584405907.db2.gz BXALVNDQTMZBQG-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])C1 ZINC000885195566 584409621 /nfs/dbraw/zinc/40/96/21/584409621.db2.gz NBLCQNFIPCOFGN-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCC(C)(C)[NH3+])C1 ZINC000885196133 584409708 /nfs/dbraw/zinc/40/97/08/584409708.db2.gz TYPWMIMCOOZLLT-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000886892283 584451218 /nfs/dbraw/zinc/45/12/18/584451218.db2.gz WRXTXPKVGIWKIQ-GFCCVEGCSA-N 2 0 290.433 -0.401 20 0 CBADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])C2)C1 ZINC000887087939 584462698 /nfs/dbraw/zinc/46/26/98/584462698.db2.gz DEBVXGPATZHEMG-DOMZBBRYSA-N 2 0 294.399 -0.510 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC[C@H]21 ZINC000887089774 584463372 /nfs/dbraw/zinc/46/33/72/584463372.db2.gz STBBUPSZFJWYFR-YNEHKIRRSA-N 2 0 294.399 -0.511 20 0 CBADRP [NH3+][C@H]1CCCN(Cc2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000887423288 584467632 /nfs/dbraw/zinc/46/76/32/584467632.db2.gz QNTKTSPRPWRJQS-NWDGAFQWSA-N 2 0 264.377 -0.047 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)NCC[N@H+](C)CCO)cn1 ZINC000887849898 584475055 /nfs/dbraw/zinc/47/50/55/584475055.db2.gz XMWJUYCWSKCDEE-UHFFFAOYSA-N 2 0 298.391 -0.510 20 0 CBADRP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000887923059 584477130 /nfs/dbraw/zinc/47/71/30/584477130.db2.gz LXAZXOOBFCIXST-UXOAXIEHSA-N 2 0 281.400 -0.148 20 0 CBADRP CN1CCN(C(=O)C23CC[NH+](CC2)C3)CC[N@H+](C)CC1 ZINC000888979060 584509866 /nfs/dbraw/zinc/50/98/66/584509866.db2.gz DZCZMGLZEVIMBD-UHFFFAOYSA-N 2 0 280.416 -0.212 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000891527801 584584453 /nfs/dbraw/zinc/58/44/53/584584453.db2.gz LOLJSXUKZDIFAQ-JHJVBQTASA-N 2 0 283.420 -0.247 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891540622 584584804 /nfs/dbraw/zinc/58/48/04/584584804.db2.gz VRQVCVCOYNUPRW-FRRDWIJNSA-N 2 0 281.404 -0.622 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]([NH3+])C[C@H]2C)C1 ZINC000891576683 584587004 /nfs/dbraw/zinc/58/70/04/584587004.db2.gz MUYNJFDDTVASJL-WOPDTQHZSA-N 2 0 270.377 -0.162 20 0 CBADRP CCN(C(=O)NCCOCC[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000891845443 584592979 /nfs/dbraw/zinc/59/29/79/584592979.db2.gz UUXDJFJPOBCERR-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP C[NH+](C)CCOCCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891842197 584593046 /nfs/dbraw/zinc/59/30/46/584593046.db2.gz QGDNYXPRXCMKTN-XYPYZODXSA-N 2 0 258.366 -0.399 20 0 CBADRP C[NH+](C)CCOCCNC(=O)NCCC(C)(C)[NH3+] ZINC000891843709 584593074 /nfs/dbraw/zinc/59/30/74/584593074.db2.gz GQAIRFKJFSKXMH-UHFFFAOYSA-N 2 0 260.382 -0.009 20 0 CBADRP C[NH2+]CCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000891961728 584595636 /nfs/dbraw/zinc/59/56/36/584595636.db2.gz HVPAGNBNWDNTOH-ZIAGYGMSSA-N 3 0 299.463 -0.023 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891968196 584595755 /nfs/dbraw/zinc/59/57/55/584595755.db2.gz HSZSSBMVLCFHHH-BETUJISGSA-N 2 0 281.404 -0.573 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000891967839 584595855 /nfs/dbraw/zinc/59/58/55/584595855.db2.gz CJNVPSKWDLQEEP-TXEJJXNPSA-N 2 0 269.393 -0.682 20 0 CBADRP COCCC1(NC(=O)NCCC[NH3+])CC[NH2+]CC1 ZINC000891986895 584597416 /nfs/dbraw/zinc/59/74/16/584597416.db2.gz WUIFMLOWDLXKAR-UHFFFAOYSA-N 2 0 258.366 -0.207 20 0 CBADRP CC[NH2+]CCNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000891992987 584597863 /nfs/dbraw/zinc/59/78/63/584597863.db2.gz DJIIGXHONWGUGI-NSHDSACASA-N 2 0 272.393 -0.260 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCC3C[NH2+]C3)CC[C@H]21 ZINC000892047699 584601157 /nfs/dbraw/zinc/60/11/57/584601157.db2.gz ARBFZRLTQNJZED-VXGBXAGGSA-N 2 0 252.362 -0.059 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC[C@@H]([NH3+])C1CC1)C2 ZINC000892051576 584601517 /nfs/dbraw/zinc/60/15/17/584601517.db2.gz USPSDOOSGUWDFC-DMDPSCGWSA-N 2 0 252.362 -0.025 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000892054710 584601858 /nfs/dbraw/zinc/60/18/58/584601858.db2.gz FYVQPQQWJYPRSM-MNOVXSKESA-N 2 0 258.366 -0.209 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000892054713 584601930 /nfs/dbraw/zinc/60/19/30/584601930.db2.gz FYVQPQQWJYPRSM-WDEREUQCSA-N 2 0 258.366 -0.209 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892087753 584603961 /nfs/dbraw/zinc/60/39/61/584603961.db2.gz BUMWNRYHYNRJGB-WDEREUQCSA-N 2 0 270.377 -0.209 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000892096938 584604476 /nfs/dbraw/zinc/60/44/76/584604476.db2.gz KJZHSENJADVLGX-JHJVBQTASA-N 3 0 285.436 -0.286 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000892165842 584607020 /nfs/dbraw/zinc/60/70/20/584607020.db2.gz DWTCNMIPJZLKTN-WOPDTQHZSA-N 2 0 270.377 -0.066 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000892183868 584608044 /nfs/dbraw/zinc/60/80/44/584608044.db2.gz MDBCLWUDWNDDRB-DMDPSCGWSA-N 2 0 268.361 -0.441 20 0 CBADRP [NH3+]C[C@H]1CCCCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000892182999 584608204 /nfs/dbraw/zinc/60/82/04/584608204.db2.gz AODKUFPFNMYAJG-GHMZBOCLSA-N 2 0 256.350 -0.502 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000892184534 584608498 /nfs/dbraw/zinc/60/84/98/584608498.db2.gz UIBMGMSQOFGIJL-VXGBXAGGSA-N 2 0 270.377 -0.242 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000892188981 584608806 /nfs/dbraw/zinc/60/88/06/584608806.db2.gz KYEIBQKBERPIFN-UWVGGRQHSA-N 2 0 292.330 -0.481 20 0 CBADRP CCN(C(=O)NC[C@H]1C[NH2+]CCO1)[C@@H]1CC[NH2+]C1 ZINC000892190281 584609073 /nfs/dbraw/zinc/60/90/73/584609073.db2.gz XWHXTZZRQSLRAC-GHMZBOCLSA-N 2 0 256.350 -0.632 20 0 CBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892266307 584611443 /nfs/dbraw/zinc/61/14/43/584611443.db2.gz AJNIBZWSGLXTRE-GARJFASQSA-N 2 0 250.346 -0.116 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000892280654 584611813 /nfs/dbraw/zinc/61/18/13/584611813.db2.gz MHORCGTWIHNCAD-WCQYABFASA-N 2 0 270.377 -0.527 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000892281713 584612049 /nfs/dbraw/zinc/61/20/49/584612049.db2.gz VXGZWKPOLJOZDF-DGCLKSJQSA-N 2 0 270.377 -0.194 20 0 CBADRP CCN(C(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000892287037 584612432 /nfs/dbraw/zinc/61/24/32/584612432.db2.gz GIZWTQROWKUNKA-QWRGUYRKSA-N 2 0 256.350 -0.632 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000892287535 584612629 /nfs/dbraw/zinc/61/26/29/584612629.db2.gz OSUWOGWXXYLPNC-ZJUUUORDSA-N 2 0 292.330 -0.481 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N1CC[NH2+]CCC12CCC2 ZINC000892288666 584612748 /nfs/dbraw/zinc/61/27/48/584612748.db2.gz DZWAVDARRFJGCX-LBPRGKRZSA-N 2 0 282.388 -0.098 20 0 CBADRP [NH3+]CCN(CCO)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892330349 584615155 /nfs/dbraw/zinc/61/51/55/584615155.db2.gz YHTSEPWZPGEHGD-UHFFFAOYSA-N 2 0 292.383 -0.205 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCC(O)CC1 ZINC000892331457 584615573 /nfs/dbraw/zinc/61/55/73/584615573.db2.gz WPWKONCHGLFNNG-GFCCVEGCSA-N 2 0 284.404 -0.164 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000892430336 584616803 /nfs/dbraw/zinc/61/68/03/584616803.db2.gz HEQVJKNAAPGWQV-JHJVBQTASA-N 2 0 284.404 -0.130 20 0 CBADRP CN1CCN(C(=O)N2C3CCC2(C[NH3+])CC3)[C@@H](C[NH3+])C1 ZINC000892456203 584617039 /nfs/dbraw/zinc/61/70/39/584617039.db2.gz WBQZTCZMAIXYBQ-LXVYMNJGSA-N 2 0 281.404 -0.363 20 0 CBADRP CN1CCN(C(=O)N2C3CCC2(C[NH3+])CC3)[C@H](C[NH3+])C1 ZINC000892456204 584617059 /nfs/dbraw/zinc/61/70/59/584617059.db2.gz WBQZTCZMAIXYBQ-MBHSVXNSSA-N 2 0 281.404 -0.363 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000892553610 584618748 /nfs/dbraw/zinc/61/87/48/584618748.db2.gz PWIRSMWGCQYAPT-ZDEQEGDKSA-N 2 0 284.404 -0.180 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000892566379 584619253 /nfs/dbraw/zinc/61/92/53/584619253.db2.gz ILSVZSKOLLAGHL-JHJVBQTASA-N 2 0 284.404 -0.130 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000892686874 584622792 /nfs/dbraw/zinc/62/27/92/584622792.db2.gz DZBMVKSPOUIUFX-CHWSQXEVSA-N 2 0 284.404 -0.090 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892755750 584625120 /nfs/dbraw/zinc/62/51/20/584625120.db2.gz KGYSIJXDAWXRTL-RYUDHWBXSA-N 2 0 282.388 -0.112 20 0 CBADRP CCC1([NH3+])CCN(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000892926828 584629918 /nfs/dbraw/zinc/62/99/18/584629918.db2.gz YJHSENGMXUTEFT-AWEZNQCLSA-N 2 0 284.404 -0.034 20 0 CBADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000893904397 584648813 /nfs/dbraw/zinc/64/88/13/584648813.db2.gz FNGIIHMLRPYYHI-LLVKDONJSA-N 2 0 261.391 -0.309 20 0 CBADRP CNc1cc(NCC[N@H+](C)CCOCCO)ncn1 ZINC000895155225 584671868 /nfs/dbraw/zinc/67/18/68/584671868.db2.gz GEXJVHAGDYBGGY-UHFFFAOYSA-N 2 0 269.349 -0.129 20 0 CBADRP C[NH+](C)CCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000895469850 584679872 /nfs/dbraw/zinc/67/98/72/584679872.db2.gz LPJCISHQMGKRSY-UHFFFAOYSA-N 2 0 255.362 -0.225 20 0 CBADRP C[NH+]1CCC(C[N@@H+]2CCO[C@H](CC(N)=O)C2)CC1 ZINC000895653102 584683934 /nfs/dbraw/zinc/68/39/34/584683934.db2.gz RMJJTHKUQMUDCA-GFCCVEGCSA-N 2 0 255.362 -0.096 20 0 CBADRP C[C@@H](CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)[NH+](C)C ZINC000895682196 584684890 /nfs/dbraw/zinc/68/48/90/584684890.db2.gz UGVPDODXLJYIAT-CMPLNLGQSA-N 2 0 255.362 -0.227 20 0 CBADRP O=C(NCCNc1cc[nH+]cc1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895799994 584686984 /nfs/dbraw/zinc/68/69/84/584686984.db2.gz WUSDITHEACJNII-CQSZACIVSA-N 2 0 290.367 -0.248 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000895819313 584687755 /nfs/dbraw/zinc/68/77/55/584687755.db2.gz WNNDVOYMQZYIRT-WCQYABFASA-N 2 0 267.373 -0.225 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895883390 584689120 /nfs/dbraw/zinc/68/91/20/584689120.db2.gz DRSSEIYJNOUVPL-CHWSQXEVSA-N 2 0 267.373 -0.083 20 0 CBADRP COC(=O)[C@]1(O)CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000896035254 584691224 /nfs/dbraw/zinc/69/12/24/584691224.db2.gz QUNGTBMALIMQOX-ZDUSSCGKSA-N 2 0 256.346 -0.062 20 0 CBADRP CC[N@@H+]1CC[C@H]1CNC(=O)N1CCN(C)CC[NH+](C)CC1 ZINC000896461667 584699485 /nfs/dbraw/zinc/69/94/85/584699485.db2.gz QCSBAFBNJMUDQY-AWEZNQCLSA-N 2 0 297.447 -0.031 20 0 CBADRP CC[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCC(O)CC1 ZINC000896459320 584699515 /nfs/dbraw/zinc/69/95/15/584699515.db2.gz DYXVJVRLKJWKRY-LBPRGKRZSA-N 2 0 284.404 -0.164 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1C[NH+](C)CCN1C ZINC000896529260 584700712 /nfs/dbraw/zinc/70/07/12/584700712.db2.gz AGLUWHSHXFXRST-FRRDWIJNSA-N 2 0 268.405 -0.169 20 0 CBADRP C[C@H](NC(=O)[C@H](C)[NH+](C)C)[C@@H]1C[N@H+](C)CCN1C ZINC000896531566 584701052 /nfs/dbraw/zinc/70/10/52/584701052.db2.gz PSWNUTWWUHKTGA-SRVKXCTJSA-N 2 0 256.394 -0.313 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000897441583 584716405 /nfs/dbraw/zinc/71/64/05/584716405.db2.gz HCQZPWPZSOUAHF-TZMCWYRMSA-N 2 0 286.420 -0.060 20 0 CBADRP C[C@@H](NC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2)C1CC1 ZINC000899269521 584756262 /nfs/dbraw/zinc/75/62/62/584756262.db2.gz BWJTYPYPPCEXJY-PWSUYJOCSA-N 2 0 251.378 -0.101 20 0 CBADRP C[C@@H](NC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2)C1CC1 ZINC000899269522 584756276 /nfs/dbraw/zinc/75/62/76/584756276.db2.gz BWJTYPYPPCEXJY-ZYHUDNBSSA-N 2 0 251.378 -0.101 20 0 CBADRP CN1CCC[C@H]1c1cc(C(=O)NCC[N@H+](C)CCO)[nH]n1 ZINC000899740354 584779143 /nfs/dbraw/zinc/77/91/43/584779143.db2.gz ISTIJVZVCFXUHI-ZDUSSCGKSA-N 2 0 295.387 -0.170 20 0 CBADRP CN1CC[NH+](CCCC[NH2+]C[C@H](O)C2(O)CCC2)CC1 ZINC000899869192 584782160 /nfs/dbraw/zinc/78/21/60/584782160.db2.gz BQEHWFBWMBMIOP-AWEZNQCLSA-N 2 0 285.432 -0.121 20 0 CBADRP C[NH+](C)CCN1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900010251 584788872 /nfs/dbraw/zinc/78/88/72/584788872.db2.gz VPGBTXXKBSBLOG-UKRRQHHQSA-N 2 0 298.431 -0.853 20 0 CBADRP O=C(NCC[NH+]1CCCC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000900011140 584788959 /nfs/dbraw/zinc/78/89/59/584788959.db2.gz LKJSKCXOKRATKX-ZDUSSCGKSA-N 2 0 267.373 -0.081 20 0 CBADRP C[N@H+](CC(=O)NCCN1CC[NH+](C)CC1)C1CCC1 ZINC000900043928 584789898 /nfs/dbraw/zinc/78/98/98/584789898.db2.gz XELUDKLXDKFCIH-UHFFFAOYSA-N 2 0 268.405 -0.166 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)C1CC1 ZINC000900283471 584798173 /nfs/dbraw/zinc/79/81/73/584798173.db2.gz RXRWZGZRIPQUNY-SCRDCRAPSA-N 2 0 269.389 -0.102 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)C1CC1 ZINC000900283469 584798202 /nfs/dbraw/zinc/79/82/02/584798202.db2.gz RXRWZGZRIPQUNY-BZPMIXESSA-N 2 0 269.389 -0.102 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000900516385 584809453 /nfs/dbraw/zinc/80/94/53/584809453.db2.gz BUWRBSFERQMWKF-AAEUAGOBSA-N 2 0 273.377 -0.864 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900612387 584816307 /nfs/dbraw/zinc/81/63/07/584816307.db2.gz BVUZFNHBNPWPDK-UMVBOHGHSA-N 2 0 298.431 -0.806 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CC1 ZINC000900634115 584817860 /nfs/dbraw/zinc/81/78/60/584817860.db2.gz SCNAYAIYPDCAKL-OCCSQVGLSA-N 2 0 269.389 -0.004 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000900659377 584819403 /nfs/dbraw/zinc/81/94/03/584819403.db2.gz MTIYHJRGDRZFGF-HIFRSBDPSA-N 2 0 298.431 -0.805 20 0 CBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N1CC[NH+](C)CC1 ZINC000900695022 584822828 /nfs/dbraw/zinc/82/28/28/584822828.db2.gz HUVPCUCCIQTSLM-ZDUSSCGKSA-N 2 0 280.416 -0.166 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000900712096 584824006 /nfs/dbraw/zinc/82/40/06/584824006.db2.gz SBOOTDMSBIKASR-SCRDCRAPSA-N 2 0 269.389 -0.148 20 0 CBADRP C[NH+]1CCC(O)(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900901918 584832396 /nfs/dbraw/zinc/83/23/96/584832396.db2.gz WHWUIORUNBMLAV-OAHLLOKOSA-N 2 0 299.415 -0.594 20 0 CBADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NCC[NH+]2CCC2)C1 ZINC000901181519 584853864 /nfs/dbraw/zinc/85/38/64/584853864.db2.gz SNNVTNKFPSHXMU-CYBMUJFWSA-N 2 0 255.362 -0.345 20 0 CBADRP C[NH+](C)CCOCCNC(=O)c1ccnn1CC[NH+](C)C ZINC000901341273 584862011 /nfs/dbraw/zinc/86/20/11/584862011.db2.gz NQRWRRBPZABHME-UHFFFAOYSA-N 2 0 297.403 -0.247 20 0 CBADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](O)COC)CC[NH2+]CC1 ZINC000902514917 584877767 /nfs/dbraw/zinc/87/77/67/584877767.db2.gz RNDAWFVYQYELOA-RYUDHWBXSA-N 2 0 288.388 -0.095 20 0 CBADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(CO)COCCN2C)[C@H](C)C1 ZINC000903278777 584889804 /nfs/dbraw/zinc/88/98/04/584889804.db2.gz HEFSJUHFXJPXNG-QLFBSQMISA-N 2 0 285.432 -0.001 20 0 CBADRP CC[NH+]1CCC([NH2+]C[C@@]2(CO)COCCN2C)CC1 ZINC000903285089 584890135 /nfs/dbraw/zinc/89/01/35/584890135.db2.gz GGSIQNBGPJXGJW-CQSZACIVSA-N 2 0 271.405 -0.247 20 0 CBADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000903431126 584890270 /nfs/dbraw/zinc/89/02/70/584890270.db2.gz OKUZXQGWODPTSM-NWDGAFQWSA-N 2 0 294.399 -0.463 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903423252 584890288 /nfs/dbraw/zinc/89/02/88/584890288.db2.gz QXRGUXNUCUHUPA-AGIUHOORSA-N 3 0 268.405 -0.099 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903441860 584890512 /nfs/dbraw/zinc/89/05/12/584890512.db2.gz CMDSDYNONCEZKK-CQSZACIVSA-N 2 0 280.416 -0.022 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903453106 584890632 /nfs/dbraw/zinc/89/06/32/584890632.db2.gz ZMNJYKBZVFNYEN-GRYCIOLGSA-N 2 0 255.362 -0.321 20 0 CBADRP CON1CC[C@@H]([N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1=O ZINC000903453756 584890666 /nfs/dbraw/zinc/89/06/66/584890666.db2.gz KOETXWFKINXVJG-NWDGAFQWSA-N 2 0 268.361 -0.872 20 0 CBADRP O=C(N1CC[NH2+]CC1)N1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903464355 584890876 /nfs/dbraw/zinc/89/08/76/584890876.db2.gz KGXFTKPDFMKCPB-CYBMUJFWSA-N 2 0 281.404 -0.619 20 0 CBADRP CC(=O)NCC(=O)N1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903474972 584891098 /nfs/dbraw/zinc/89/10/98/584891098.db2.gz XBIFPSBQZVVXCH-KGLIPLIRSA-N 2 0 296.415 -0.216 20 0 CBADRP COC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492321 584891749 /nfs/dbraw/zinc/89/17/49/584891749.db2.gz AUNRRBCCPOXDPJ-XHSYRHOGSA-N 2 0 270.329 -0.240 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H]1CCN(OC)C1=O)C2 ZINC000903494537 584891927 /nfs/dbraw/zinc/89/19/27/584891927.db2.gz IZJVPHWELFDTHO-MIJXAVMKSA-N 2 0 297.355 -0.639 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903500181 584892073 /nfs/dbraw/zinc/89/20/73/584892073.db2.gz UTSPWOSJJXWZRV-VXGBXAGGSA-N 2 0 285.388 -0.075 20 0 CBADRP [NH3+]C[C@]12CC[C@@H]1CCCN2S(=O)(=O)C1C[NH2+]C1 ZINC000903531876 584892700 /nfs/dbraw/zinc/89/27/00/584892700.db2.gz QQCXGHLGEHBISL-GXSJLCMTSA-N 2 0 259.375 -0.509 20 0 CBADRP CN(C1(C[NH3+])CCOCC1)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000903538750 584892778 /nfs/dbraw/zinc/89/27/78/584892778.db2.gz AXFYRDXYNRKIEU-LLVKDONJSA-N 2 0 291.417 -0.492 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000903553845 584893021 /nfs/dbraw/zinc/89/30/21/584893021.db2.gz IUCYSHZOAUAOHN-NSHDSACASA-N 2 0 290.433 -0.497 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000903554486 584893046 /nfs/dbraw/zinc/89/30/46/584893046.db2.gz RWMYGHRIUXYVQT-NSHDSACASA-N 2 0 275.418 -0.097 20 0 CBADRP C[NH2+]CCN(CCC(=O)N1CC[NH2+]CC1)C(C)C ZINC000903573248 584893599 /nfs/dbraw/zinc/89/35/99/584893599.db2.gz SXXJKYIKBTYWEC-UHFFFAOYSA-N 2 0 256.394 -0.262 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)[C@@H]1CCC[NH2+]C1)C2 ZINC000903576492 584893793 /nfs/dbraw/zinc/89/37/93/584893793.db2.gz LMKLYYPHOWTMKH-WHOHXGKFSA-N 2 0 273.402 -0.120 20 0 CBADRP [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000903583928 584893961 /nfs/dbraw/zinc/89/39/61/584893961.db2.gz HXNGLANRWOLVFI-QJPTWQEYSA-N 2 0 273.402 -0.119 20 0 CBADRP [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000903584646 584893993 /nfs/dbraw/zinc/89/39/93/584893993.db2.gz KVOIIWIEGPKUGW-QJPTWQEYSA-N 2 0 289.401 -0.882 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903586898 584894061 /nfs/dbraw/zinc/89/40/61/584894061.db2.gz MLPLCPXNSGACSK-JTQLQIEISA-N 2 0 263.407 -0.063 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000903609811 584894947 /nfs/dbraw/zinc/89/49/47/584894947.db2.gz QXESTTACNMFORR-SRVKXCTJSA-N 2 0 289.401 -0.964 20 0 CBADRP CC(C)[N@@H+](CC(N)=O)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717421 584895606 /nfs/dbraw/zinc/89/56/06/584895606.db2.gz AEZVTDURSKCUFY-DGCLKSJQSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000903735130 584896496 /nfs/dbraw/zinc/89/64/96/584896496.db2.gz IBNJAIACZUDCMR-VXGBXAGGSA-N 2 0 296.415 -0.265 20 0 CBADRP [NH3+]CCN(CCO)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903744322 584896790 /nfs/dbraw/zinc/89/67/90/584896790.db2.gz RBIAORRTKPKURN-LBPRGKRZSA-N 2 0 257.378 -0.602 20 0 CBADRP Cn1ccnc1[C@@H]1C[NH2+]CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000903747007 584896950 /nfs/dbraw/zinc/89/69/50/584896950.db2.gz NKPOKMPNHAHQJV-KBPBESRZSA-N 2 0 293.415 -0.177 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903749721 584897357 /nfs/dbraw/zinc/89/73/57/584897357.db2.gz PKEAYMHUTZKBTA-VNHYZAJKSA-N 2 0 297.399 -0.408 20 0 CBADRP OCC[NH2+][C@@H]1CCCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903770300 584898400 /nfs/dbraw/zinc/89/84/00/584898400.db2.gz FQMDXYLFYSWREN-ILXRZTDVSA-N 2 0 283.416 -0.199 20 0 CBADRP CN1C(=O)[C@H]2C[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C[C@H]2C1=O ZINC000903777961 584899322 /nfs/dbraw/zinc/89/93/22/584899322.db2.gz HFTDTFCWTGUBDJ-UUIJZJDISA-N 2 0 293.367 -0.698 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000903787613 584899649 /nfs/dbraw/zinc/89/96/49/584899649.db2.gz XVHKIVOUKBMLKZ-CHWSQXEVSA-N 2 0 257.378 -0.771 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903786444 584899744 /nfs/dbraw/zinc/89/97/44/584899744.db2.gz IYWTVHADTMYGMJ-UKRRQHHQSA-N 2 0 283.416 -0.069 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000903789754 584899990 /nfs/dbraw/zinc/89/99/90/584899990.db2.gz CQOJZTBSTZLHPU-STQMWFEESA-N 2 0 292.383 -0.591 20 0 CBADRP C[NH2+]CCN(C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC000903809052 584900352 /nfs/dbraw/zinc/90/03/52/584900352.db2.gz NJOIFPYADWVEPG-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP NC(=O)[C@]12CCC[C@H]1C[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000903827769 584901180 /nfs/dbraw/zinc/90/11/80/584901180.db2.gz WRINKTLQTCPGJV-JSGCOSHPSA-N 2 0 266.389 -0.521 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903837042 584901608 /nfs/dbraw/zinc/90/16/08/584901608.db2.gz AQIHCQLOEQBJHV-CHWSQXEVSA-N 2 0 269.389 -0.182 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903837385 584901611 /nfs/dbraw/zinc/90/16/11/584901611.db2.gz JNGHPTOQAQRULO-QWHCGFSZSA-N 2 0 269.389 -0.325 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903864474 584902598 /nfs/dbraw/zinc/90/25/98/584902598.db2.gz VKRJHPDTPSARGK-MELADBBJSA-N 2 0 271.405 -0.261 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@]12CC[NH2+]C2 ZINC000903870609 584902818 /nfs/dbraw/zinc/90/28/18/584902818.db2.gz ODBLBPIQHSUAIZ-KBPBESRZSA-N 2 0 271.405 -0.247 20 0 CBADRP C[NH2+][C@H]1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903873505 584902953 /nfs/dbraw/zinc/90/29/53/584902953.db2.gz IXSOIVXEGCWPMV-NWDGAFQWSA-N 2 0 264.377 -0.004 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCO1 ZINC000903874380 584903136 /nfs/dbraw/zinc/90/31/36/584903136.db2.gz ZHVCXFFVXRLDSR-SCRDCRAPSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCO1 ZINC000903874379 584903141 /nfs/dbraw/zinc/90/31/41/584903141.db2.gz ZHVCXFFVXRLDSR-OUCADQQQSA-N 2 0 294.403 -0.249 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903882391 584903805 /nfs/dbraw/zinc/90/38/05/584903805.db2.gz NJXQDGKUJIIISS-RYUDHWBXSA-N 2 0 255.362 -0.715 20 0 CBADRP O=C1NC(=O)N2CC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]12 ZINC000903902609 584904155 /nfs/dbraw/zinc/90/41/55/584904155.db2.gz KQULGBNLIYKTPJ-YATPEIPISA-N 2 0 278.356 -0.247 20 0 CBADRP C[C@]1(C(N)=O)CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903909859 584904478 /nfs/dbraw/zinc/90/44/78/584904478.db2.gz HHHSQZBOSCEBGM-FZMZJTMJSA-N 2 0 292.387 -0.100 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C[C@H]([NH3+])CC(F)F ZINC000903915895 584904590 /nfs/dbraw/zinc/90/45/90/584904590.db2.gz DFCVKLXZLMZDGI-RKDXNWHRSA-N 2 0 265.304 -0.194 20 0 CBADRP C[C@@H](C[NH3+])CNCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903919655 584904793 /nfs/dbraw/zinc/90/47/93/584904793.db2.gz PEVVCYSQXJDFKV-QWRGUYRKSA-N 2 0 252.366 -0.113 20 0 CBADRP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(=O)n(C)c1=O ZINC000903959136 584905078 /nfs/dbraw/zinc/90/50/78/584905078.db2.gz BHBJQLNGYUUTCI-GHMZBOCLSA-N 2 0 266.345 -0.557 20 0 CBADRP Cn1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(=O)n(C)c1=O ZINC000903959137 584905083 /nfs/dbraw/zinc/90/50/83/584905083.db2.gz BHBJQLNGYUUTCI-MNOVXSKESA-N 2 0 266.345 -0.557 20 0 CBADRP C[C@]1(C[NH2+]CC[C@H]2CNCCS2(=O)=O)CC[NH2+]C1 ZINC000903970237 584905380 /nfs/dbraw/zinc/90/53/80/584905380.db2.gz SMWXWUVSLCKIJV-NWDGAFQWSA-N 2 0 275.418 -0.648 20 0 CBADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC000968990159 614074607 /nfs/dbraw/zinc/07/46/07/614074607.db2.gz VUEPKXXTDFNNLN-TUAOUCFPSA-N 2 0 284.404 -0.363 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000968645416 614351506 /nfs/dbraw/zinc/35/15/06/614351506.db2.gz ZEDGALVAFFQQRI-NEPJUHHUSA-N 2 0 282.388 -0.465 20 0 CBADRP CC1(C)C[N@H+](CCO)C[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000977497190 614661180 /nfs/dbraw/zinc/66/11/80/614661180.db2.gz KMLUZGQCWJNANV-LBPRGKRZSA-N 2 0 281.400 -0.099 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000960185618 614680619 /nfs/dbraw/zinc/68/06/19/614680619.db2.gz RHHPFFIGYXPMFT-RFQIPJPRSA-N 2 0 281.400 -0.101 20 0 CBADRP CC[NH2+][C@@H]1CCN(C(=O)CCN2CCOCC2)C1 ZINC000970273570 615117641 /nfs/dbraw/zinc/11/76/41/615117641.db2.gz SBNYNDJBQWKGMN-GFCCVEGCSA-N 2 0 255.362 -0.081 20 0 CBADRP CC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958375258 615372679 /nfs/dbraw/zinc/37/26/79/615372679.db2.gz SIUFCUZUHQAGSQ-CHWSQXEVSA-N 2 0 269.389 -0.243 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980405564 615394521 /nfs/dbraw/zinc/39/45/21/615394521.db2.gz KDXCGVYVWQLKOV-STQMWFEESA-N 2 0 296.415 -0.121 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962563492 615403298 /nfs/dbraw/zinc/40/32/98/615403298.db2.gz FZVVVGZWSOPGAW-KZVDOYCCSA-N 2 0 294.399 -0.608 20 0 CBADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC000969813565 615537582 /nfs/dbraw/zinc/53/75/82/615537582.db2.gz AUOXGHLPIXUNSP-CHWSQXEVSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(CC(N)=O)C2)CC[N@@H+]1C ZINC000969690671 615585368 /nfs/dbraw/zinc/58/53/68/615585368.db2.gz QHCBWQYIUPRVPT-KGYLQXTDSA-N 2 0 296.415 -0.362 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962563487 615622767 /nfs/dbraw/zinc/62/27/67/615622767.db2.gz FZVVVGZWSOPGAW-CZXHOFHRSA-N 2 0 294.399 -0.608 20 0 CBADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CCC([NH2+]CC(N)=O)CC1 ZINC000963157613 615882064 /nfs/dbraw/zinc/88/20/64/615882064.db2.gz PEGJBBXUYXFOGV-WXRRBKDZSA-N 2 0 296.415 -0.075 20 0 CBADRP C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@H]2CCc3nccn3C2)C1 ZINC000971821830 616110986 /nfs/dbraw/zinc/11/09/86/616110986.db2.gz PUGZKNYFJLHPRW-QWHCGFSZSA-N 2 0 292.383 -0.030 20 0 CBADRP C[N@H+](CCO)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972740524 616112395 /nfs/dbraw/zinc/11/23/95/616112395.db2.gz OJLOQVGTVRJIJA-LBPRGKRZSA-N 2 0 267.373 -0.393 20 0 CBADRP C[N@H+](CCO)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980406583 616112904 /nfs/dbraw/zinc/11/29/04/616112904.db2.gz QNPDOWCGIGZEBX-LBPRGKRZSA-N 2 0 255.362 -0.393 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@H]2CN(CCF)C[C@H]2O)CC1 ZINC000958374320 616167206 /nfs/dbraw/zinc/16/72/06/616167206.db2.gz MCJAKGWPTVNJRS-QWHCGFSZSA-N 2 0 287.379 -0.293 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC000981310792 616167445 /nfs/dbraw/zinc/16/74/45/616167445.db2.gz GVQTXOSYASZVKC-OLZOCXBDSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)CC1 ZINC000961656790 616167628 /nfs/dbraw/zinc/16/76/28/616167628.db2.gz BRLFQIKAEXNJTF-ITGUQSILSA-N 2 0 267.373 -0.633 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000960590844 616180805 /nfs/dbraw/zinc/18/08/05/616180805.db2.gz BZVLLHBJZNARRH-XQHKEYJVSA-N 2 0 267.373 -0.491 20 0 CBADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC000948245763 616208778 /nfs/dbraw/zinc/20/87/78/616208778.db2.gz SMCDYEREIZTZAE-STQMWFEESA-N 2 0 296.415 -0.121 20 0 CBADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](CC(N)=O)CC1 ZINC000948245758 616209029 /nfs/dbraw/zinc/20/90/29/616209029.db2.gz SMCDYEREIZTZAE-OLZOCXBDSA-N 2 0 296.415 -0.121 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21 ZINC000977923958 616211392 /nfs/dbraw/zinc/21/13/92/616211392.db2.gz VAUCRUIFXXTSCC-FQUUOJAGSA-N 2 0 281.400 -0.243 20 0 CBADRP CN(CCF)[C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC000971268550 616251781 /nfs/dbraw/zinc/25/17/81/616251781.db2.gz WHMQXPFSFYQWLT-NWDGAFQWSA-N 2 0 273.352 -0.181 20 0 CBADRP CN1CCO[C@@H](C(=O)N[C@H]2C[N@H+](CCCO)CC2(C)C)C1 ZINC000972991031 616253209 /nfs/dbraw/zinc/25/32/09/616253209.db2.gz CNOXLUBDTIQXDZ-OLZOCXBDSA-N 2 0 299.415 -0.474 20 0 CBADRP CN(CCF)[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000971268549 616258080 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VEYBZNKNTAGEIZ-XQHKEYJVSA-N 2 0 267.373 -0.227 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944919731 616613689 /nfs/dbraw/zinc/61/36/89/616613689.db2.gz QGUDLHKOOQFVMJ-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948039940 616613810 /nfs/dbraw/zinc/61/38/10/616613810.db2.gz LQVAJVGXWXROQT-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962581147 616853576 /nfs/dbraw/zinc/85/35/76/616853576.db2.gz WNQKRWYWQNRMQK-CIQGVGRVSA-N 2 0 294.399 -0.737 20 0 CBADRP CO[C@H](C)C[N@@H+]1CCCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000980893585 617061692 /nfs/dbraw/zinc/06/16/92/617061692.db2.gz NIBMMLZAEJXYPW-ZIAGYGMSSA-N 2 0 299.415 -0.114 20 0 CBADRP COC[C@H](C)OC[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708852663 656194740 /nfs/dbraw/zinc/19/47/40/656194740.db2.gz LRUFLFYXMKNFLH-YVECIDJPSA-N 2 0 260.378 -0.075 20 0 CBADRP [NH3+]CC1(NS(=O)(=O)[C@H]2CCC[NH2+]C2)CCOCC1 ZINC000923663277 658388045 /nfs/dbraw/zinc/38/80/45/658388045.db2.gz PDNAUROJQOGZBT-JTQLQIEISA-N 2 0 277.390 -0.834 20 0 CBADRP CCO[C@@H](CNS(=O)(=O)CCC[NH+](C)C)C[NH+](C)C ZINC000921634869 657926486 /nfs/dbraw/zinc/92/64/86/657926486.db2.gz USTAWADMIDTJDQ-LBPRGKRZSA-N 2 0 295.449 -0.176 20 0 CBADRP O=S(=O)(NCc1cccc2c1CC[NH2+]C2)C1C[NH2+]C1 ZINC000923662946 658388713 /nfs/dbraw/zinc/38/87/13/658388713.db2.gz UYKTYMPCBHAOCV-UHFFFAOYSA-N 2 0 281.381 -0.277 20 0 CBADRP O=S(=O)(NC[C@H]1C[NH2+]CCC1(F)F)C1C[NH2+]C1 ZINC000923674630 658394079 /nfs/dbraw/zinc/39/40/79/658394079.db2.gz SLBFFELMMDDATA-SSDOTTSWSA-N 2 0 269.317 -0.878 20 0 CBADRP Cc1nccn1CC(=O)NCC[N@@H+](C)CCOCCO ZINC000922114238 657993617 /nfs/dbraw/zinc/99/36/17/657993617.db2.gz RXKIZSUXOUJSNU-UHFFFAOYSA-N 2 0 284.360 -0.752 20 0 CBADRP [NH3+]C1CCN(CCNS(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923677989 658396420 /nfs/dbraw/zinc/39/64/20/658396420.db2.gz QKQWWLMUXJNRSR-GFCCVEGCSA-N 2 0 290.433 -0.919 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH2+]C[C@H]1C(F)F ZINC000923352616 658224446 /nfs/dbraw/zinc/22/44/46/658224446.db2.gz PFNJTEANGKFHQI-QWRGUYRKSA-N 2 0 281.347 -0.536 20 0 CBADRP Cc1ccccc1CCNC(=O)[C@@H](C)NC(C[NH3+])C[NH3+] ZINC000923352295 658225376 /nfs/dbraw/zinc/22/53/76/658225376.db2.gz UAIGALICDWNPCW-GFCCVEGCSA-N 2 0 278.400 -0.082 20 0 CBADRP C[C@H](NC(C[NH3+])C[NH3+])C(=O)NCCc1ccccc1 ZINC000923352641 658225426 /nfs/dbraw/zinc/22/54/26/658225426.db2.gz PQEQEFCTSHCLOY-NSHDSACASA-N 2 0 264.373 -0.391 20 0 CBADRP C[C@H](NC(C[NH3+])C[NH3+])C(=O)N[C@@H]1CCCC[C@H]1C ZINC000923352717 658225696 /nfs/dbraw/zinc/22/56/96/658225696.db2.gz QOLZROPXUGXDTE-JFGNBEQYSA-N 2 0 256.394 -0.055 20 0 CBADRP CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923384387 658247472 /nfs/dbraw/zinc/24/74/72/658247472.db2.gz GQXJPMUWZMOTBW-KBIXCLLPSA-N 2 0 295.305 -0.163 20 0 CBADRP C[C@H]1CC[N@H+](CCN2C(=O)CN(C)C2=O)C[C@H]1C[NH3+] ZINC000923375657 658247750 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NS(=O)(=O)C[C@H]1CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000923531358 658315748 /nfs/dbraw/zinc/31/57/48/658315748.db2.gz OWOWKETUCBTVCU-GARJFASQSA-N 2 0 261.391 -0.276 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923572620 658333587 /nfs/dbraw/zinc/33/35/87/658333587.db2.gz KEWXUEHQSMYNJM-GARJFASQSA-N 2 0 261.391 -0.215 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923572618 658333691 /nfs/dbraw/zinc/33/36/91/658333691.db2.gz KEWXUEHQSMYNJM-DCAQKATOSA-N 2 0 261.391 -0.215 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000923570733 658333901 /nfs/dbraw/zinc/33/39/01/658333901.db2.gz WEYFELNVMNTAMQ-OUAUKWLOSA-N 2 0 261.391 -0.263 20 0 CBADRP C[NH2+]C[C@H]1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923569955 658334803 /nfs/dbraw/zinc/33/48/03/658334803.db2.gz ODDIYEJKPZZPHR-MNOVXSKESA-N 2 0 261.391 -0.391 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)C1C[NH2+]C1 ZINC000923619595 658354968 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O=S(=O)(NCCC[NH2+]C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000923641897 658370095 /nfs/dbraw/zinc/37/00/95/658370095.db2.gz QNUHCJHXVSDDEI-LLVKDONJSA-N 2 0 261.391 -0.200 20 0 CBADRP CC(C)(CCC[NH3+])NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923643575 658370221 /nfs/dbraw/zinc/37/02/21/658370221.db2.gz DKCPNTHHEYMKBV-UHFFFAOYSA-N 2 0 264.395 -0.757 20 0 CBADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000923642592 658370608 /nfs/dbraw/zinc/37/06/08/658370608.db2.gz XICNJZPCRMUXKG-QJPTWQEYSA-N 2 0 273.402 -0.248 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923640003 658370742 /nfs/dbraw/zinc/37/07/42/658370742.db2.gz WMQLUOPTJLHQCG-DCAQKATOSA-N 2 0 261.391 -0.202 20 0 CBADRP O=S(=O)(NCCC[NH2+]C1CC1)[C@H]1CCC[NH2+]C1 ZINC000923641898 658371681 /nfs/dbraw/zinc/37/16/81/658371681.db2.gz QNUHCJHXVSDDEI-NSHDSACASA-N 2 0 261.391 -0.200 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923652909 658378354 /nfs/dbraw/zinc/37/83/54/658378354.db2.gz UNAQKSQSNDRGOX-MXWKQRLJSA-N 2 0 261.391 -0.120 20 0 CBADRP CC(C)C[N@H+](C)CCCNS(=O)(=O)C1C[NH2+]C1 ZINC000923652106 658379835 /nfs/dbraw/zinc/37/98/35/658379835.db2.gz IERPNTFFJZYZLU-UHFFFAOYSA-N 2 0 263.407 -0.145 20 0 CBADRP [NH3+]Cc1ccc(CNS(=O)(=O)C2C[NH2+]C2)c(F)c1 ZINC000923653323 658379916 /nfs/dbraw/zinc/37/99/16/658379916.db2.gz YJMKAGRBAHMNDP-UHFFFAOYSA-N 2 0 273.333 -0.324 20 0 CBADRP CN([C@H]1CCC[NH2+]CC1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923655658 658381548 /nfs/dbraw/zinc/38/15/48/658381548.db2.gz LKVAAYGJLOZORY-NSHDSACASA-N 2 0 276.406 -0.790 20 0 CBADRP O=S(=O)(N[C@@H]1CC[NH2+]C12CCCC2)N1CC[NH2+]CC1 ZINC000923656902 658382202 /nfs/dbraw/zinc/38/22/02/658382202.db2.gz VTSZMLVROFDGMT-LLVKDONJSA-N 2 0 288.417 -0.599 20 0 CBADRP COCC[NH+]1CCC(N2C(=O)N[C@@H](C[NH+](C)C)C2=O)CC1 ZINC000924515689 658610505 /nfs/dbraw/zinc/61/05/05/658610505.db2.gz UUUKSJGVDNNPNR-LBPRGKRZSA-N 2 0 298.387 -0.421 20 0 CBADRP C[NH+](C)CCn1nccc1C(=O)NCC[N@H+](C)CCO ZINC000925005937 658749096 /nfs/dbraw/zinc/74/90/96/658749096.db2.gz RMYWLGUXPUYVEI-UHFFFAOYSA-N 2 0 283.376 -0.901 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CCO ZINC000925014186 658766203 /nfs/dbraw/zinc/76/62/03/658766203.db2.gz FCBLPKZHXNQLCW-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP OCCC[N@@H+]1CCC[C@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925678529 658864720 /nfs/dbraw/zinc/86/47/20/658864720.db2.gz FPCMPWKKSDXQMB-OLZOCXBDSA-N 2 0 257.378 -0.589 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000925788397 658872365 /nfs/dbraw/zinc/87/23/65/658872365.db2.gz IFYWKJJFLGTVKR-YNEHKIRRSA-N 2 0 289.445 -0.130 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000928553098 659034963 /nfs/dbraw/zinc/03/49/63/659034963.db2.gz XJMBHMAKWVRYAB-ZDUSSCGKSA-N 2 0 267.373 -0.083 20 0 CBADRP O=S(=O)(NC1CC[NH+](C2CC2)CC1)N1CC[NH2+]CC1 ZINC000040861297 656006010 /nfs/dbraw/zinc/00/60/10/656006010.db2.gz LWJOSRVTTPMLLL-UHFFFAOYSA-N 2 0 288.417 -0.647 20 0 CBADRP C[NH+](C)CCNC(=S)N1CCN(CC[NH+](C)C)CC1 ZINC000070138261 656040036 /nfs/dbraw/zinc/04/00/36/656040036.db2.gz WGKHWQMDFJFZSR-UHFFFAOYSA-N 2 0 287.477 -0.398 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000091393176 656057726 /nfs/dbraw/zinc/05/77/26/656057726.db2.gz IYTHVMVMXGZDMR-LLVKDONJSA-N 2 0 276.406 -0.838 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000225446214 656106697 /nfs/dbraw/zinc/10/66/97/656106697.db2.gz AIJARCWTQUZDEO-RKDXNWHRSA-N 2 0 283.294 -0.304 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000227392825 656108256 /nfs/dbraw/zinc/10/82/56/656108256.db2.gz ULQBURJLSDKKHO-TUAOUCFPSA-N 2 0 255.362 -0.097 20 0 CBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C[NH3+])CC1 ZINC000237609272 656117261 /nfs/dbraw/zinc/11/72/61/656117261.db2.gz OCTXOWJSOJKMPR-STQMWFEESA-N 2 0 268.405 -0.038 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261765684 656126668 /nfs/dbraw/zinc/12/66/68/656126668.db2.gz IJKJAUSWWDBMQA-NEPJUHHUSA-N 2 0 255.362 -0.096 20 0 CBADRP C[C@]1(CN(CCO)CCN2CCOCC2)CC[NH2+]C1 ZINC000261898329 656127308 /nfs/dbraw/zinc/12/73/08/656127308.db2.gz VMUQUSRQAOHRCV-AWEZNQCLSA-N 2 0 271.405 -0.388 20 0 CBADRP O=C(CNC1=[NH+]CCCN1)NCC[NH+]1CCCCCC1 ZINC000263286077 656134239 /nfs/dbraw/zinc/13/42/39/656134239.db2.gz UOYBSZYRORPZLR-UHFFFAOYSA-N 2 0 281.404 -0.083 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000311156404 656145383 /nfs/dbraw/zinc/14/53/83/656145383.db2.gz OMAZSBGVGVMAAF-UPJWGTAASA-N 2 0 259.394 -0.392 20 0 CBADRP COCCN(C)C[C@@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000311147036 656145728 /nfs/dbraw/zinc/14/57/28/656145728.db2.gz MHDQMGMBJFHZGU-CYBMUJFWSA-N 2 0 259.394 -0.404 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000311156401 656145791 /nfs/dbraw/zinc/14/57/91/656145791.db2.gz OMAZSBGVGVMAAF-AVGNSLFASA-N 2 0 259.394 -0.392 20 0 CBADRP CC[C@@H]1CN(C[C@@H](O)C[N@H+](C)CCOC)CC[C@@H]1[NH3+] ZINC000311686261 656146400 /nfs/dbraw/zinc/14/64/00/656146400.db2.gz JQTGMAMUYBJOEV-RDBSUJKOSA-N 2 0 273.421 -0.015 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000311752070 656146421 /nfs/dbraw/zinc/14/64/21/656146421.db2.gz VBYIZVACTFDCOD-RDBSUJKOSA-N 2 0 273.421 -0.015 20 0 CBADRP [NH3+]C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CCCO1 ZINC000313342614 656147402 /nfs/dbraw/zinc/14/74/02/656147402.db2.gz GTYICFXMLCJACI-QWHCGFSZSA-N 2 0 257.378 -0.507 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419739309 656167065 /nfs/dbraw/zinc/16/70/65/656167065.db2.gz WBSSVAQMOOGZPF-OAHLLOKOSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419131289 656167075 /nfs/dbraw/zinc/16/70/75/656167075.db2.gz CHXOBNGRDSGKHT-DOMZBBRYSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(C)C(=O)CN1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000700787168 656177171 /nfs/dbraw/zinc/17/71/71/656177171.db2.gz WIDMPQYWCIJQLC-OLZOCXBDSA-N 2 0 268.405 -0.180 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C[C@H](O)C[NH+]1CCCC1)C2 ZINC000702123861 656180171 /nfs/dbraw/zinc/18/01/71/656180171.db2.gz HOGVCCKQLFFUJO-BFHYXJOUSA-N 2 0 253.390 -0.016 20 0 CBADRP CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000702971460 656182449 /nfs/dbraw/zinc/18/24/49/656182449.db2.gz IBKDMFCPAJJKOP-OUAUKWLOSA-N 2 0 261.391 -0.263 20 0 CBADRP C[NH2+]CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000705897751 656187627 /nfs/dbraw/zinc/18/76/27/656187627.db2.gz UMUXLEZGVCBFIZ-VXGBXAGGSA-N 3 0 256.394 -0.596 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)CCC[NH3+])C[C@H]1C[NH+](C)C ZINC000705917921 656187667 /nfs/dbraw/zinc/18/76/67/656187667.db2.gz JWUFTOXNTHNHRH-CHWSQXEVSA-N 3 0 270.421 -0.077 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000705919096 656187687 /nfs/dbraw/zinc/18/76/87/656187687.db2.gz RQBGBQGMZLJVRL-JHJVBQTASA-N 3 0 270.421 -0.079 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)C[C@H]1C[NH+](C)C ZINC000705824975 656187723 /nfs/dbraw/zinc/18/77/23/656187723.db2.gz QCGNQJQKPSGVCO-MCIONIFRSA-N 3 0 282.432 -0.064 20 0 CBADRP CC[NH2+][C@H](C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000707966061 656191167 /nfs/dbraw/zinc/19/11/67/656191167.db2.gz KRGSHRXXCBEITG-WOPDTQHZSA-N 2 0 255.362 -0.036 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC000708547804 656193272 /nfs/dbraw/zinc/19/32/72/656193272.db2.gz MQELZUIKQUYVHI-VXGBXAGGSA-N 2 0 255.362 -0.489 20 0 CBADRP CN(C)S(=O)(=O)CCN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709827375 656196202 /nfs/dbraw/zinc/19/62/02/656196202.db2.gz KNGLOIJQZQZQRI-GFCCVEGCSA-N 2 0 275.418 -0.047 20 0 CBADRP CCN(C)C(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710625672 656199056 /nfs/dbraw/zinc/19/90/56/656199056.db2.gz DWTIVABUUBFNRP-UHFFFAOYSA-N 2 0 257.378 -0.147 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H]2CC[N@H+](C)C2)C[NH2+]CCO1 ZINC000710755083 656200556 /nfs/dbraw/zinc/20/05/56/656200556.db2.gz KZVDDPWCKSVNCY-DGCLKSJQSA-N 2 0 271.361 -0.941 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000710741570 656200922 /nfs/dbraw/zinc/20/09/22/656200922.db2.gz HTNJLUDIZXSLOR-BXUZGUMPSA-N 2 0 283.372 -0.656 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710784759 656201711 /nfs/dbraw/zinc/20/17/11/656201711.db2.gz TUFAFQNKBOBBGS-OCCSQVGLSA-N 2 0 285.388 -0.408 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)C[NH2+]CCO1 ZINC000710789904 656202297 /nfs/dbraw/zinc/20/22/97/656202297.db2.gz QTCOWUWWMZHWMI-DYEKYZERSA-N 2 0 285.388 -0.410 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)C[NH2+]CCO1 ZINC000710789905 656202823 /nfs/dbraw/zinc/20/28/23/656202823.db2.gz QTCOWUWWMZHWMI-OBJOEFQTSA-N 2 0 285.388 -0.410 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(COC)C[NH2+]CCO2)C1 ZINC000710824761 656203394 /nfs/dbraw/zinc/20/33/94/656203394.db2.gz HSRPRMULLNAUIG-JSGCOSHPSA-N 2 0 285.388 -0.408 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710839650 656204722 /nfs/dbraw/zinc/20/47/22/656204722.db2.gz TZCYZOJXFWISSI-CYBMUJFWSA-N 2 0 273.377 -0.551 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710827569 656204759 /nfs/dbraw/zinc/20/47/59/656204759.db2.gz KOKCTFDEDZHPIF-AWEZNQCLSA-N 2 0 287.404 -0.161 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710827574 656204877 /nfs/dbraw/zinc/20/48/77/656204877.db2.gz KOKCTFDEDZHPIF-CQSZACIVSA-N 2 0 287.404 -0.161 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710829884 656204946 /nfs/dbraw/zinc/20/49/46/656204946.db2.gz PTVVVHRTIWKERA-GXTWGEPZSA-N 2 0 287.404 -0.162 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711318192 656207142 /nfs/dbraw/zinc/20/71/42/656207142.db2.gz UNFYQIMRQXEGMA-NEPJUHHUSA-N 2 0 268.405 -0.406 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000711270157 656207286 /nfs/dbraw/zinc/20/72/86/656207286.db2.gz BKITUCOBQHKBKM-CYBMUJFWSA-N 2 0 282.432 -0.014 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH2+]CCC1(C)C ZINC000712581533 656210557 /nfs/dbraw/zinc/21/05/57/656210557.db2.gz AVCGAZLUQXIAJC-CYBMUJFWSA-N 2 0 273.421 -0.001 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000713426157 656212540 /nfs/dbraw/zinc/21/25/40/656212540.db2.gz UIUTUTNEZSMBLY-SFDCQRBFSA-N 2 0 278.400 -0.380 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)C2C[NH2+]C2)C1 ZINC000715540943 656220102 /nfs/dbraw/zinc/22/01/02/656220102.db2.gz URWQDUIGUPAELQ-NXEZZACHSA-N 2 0 261.391 -0.250 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000715536978 656220084 /nfs/dbraw/zinc/22/00/84/656220084.db2.gz GZIHNHVIBFNNDX-STQMWFEESA-N 2 0 268.405 -0.119 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CC[NH2+]CC1CC1 ZINC000717164603 656226611 /nfs/dbraw/zinc/22/66/11/656226611.db2.gz JKSRVJNQTOMIPG-ZDUSSCGKSA-N 2 0 268.405 -0.262 20 0 CBADRP [NH3+]Cc1ncc(C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)cn1 ZINC000877386424 656246514 /nfs/dbraw/zinc/24/65/14/656246514.db2.gz RATRSPYLBJXGSN-GXFFZTMASA-N 2 0 261.329 -0.050 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877402207 656247258 /nfs/dbraw/zinc/24/72/58/656247258.db2.gz ACGIQSXUEGYWNM-LLVKDONJSA-N 2 0 282.388 -0.510 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877399654 656247275 /nfs/dbraw/zinc/24/72/75/656247275.db2.gz OMSPJCQLMSHVRY-MDZLAQPJSA-N 2 0 253.346 -0.234 20 0 CBADRP Cn1nncc1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877669644 656248412 /nfs/dbraw/zinc/24/84/12/656248412.db2.gz SHZSXIVCUWBDLU-CHWSQXEVSA-N 2 0 280.420 -0.014 20 0 CBADRP Cn1cc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nn1 ZINC000877669797 656248444 /nfs/dbraw/zinc/24/84/44/656248444.db2.gz ZQHYYAIRLZILJG-CHWSQXEVSA-N 2 0 280.420 -0.014 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)C1 ZINC000884787519 656255002 /nfs/dbraw/zinc/25/50/02/656255002.db2.gz UWNSOVKUIHZVLR-WOPDTQHZSA-N 2 0 282.388 -0.465 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884787654 656255326 /nfs/dbraw/zinc/25/53/26/656255326.db2.gz YKWQAAXGEZAPIA-FRRDWIJNSA-N 2 0 294.399 -0.450 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC[C@@H]21 ZINC000885192861 656260294 /nfs/dbraw/zinc/26/02/94/656260294.db2.gz KLJVVFVYTPKPMG-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000897440084 656293090 /nfs/dbraw/zinc/29/30/90/656293090.db2.gz MPVLAQMGVMJNLH-YPMHNXCESA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1C[NH+](C)CCN1C ZINC000896560803 656290303 /nfs/dbraw/zinc/29/03/03/656290303.db2.gz TVRLEDPSCZTCHG-YNEHKIRRSA-N 2 0 268.405 -0.311 20 0 CBADRP C[NH2+]C[C@](C)(O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507213 656322207 /nfs/dbraw/zinc/32/22/07/656322207.db2.gz RCTHGJKPNOHRIJ-XHSDSOJGSA-N 3 0 296.459 -0.143 20 0 CBADRP C[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCN1S(C)(=O)=O ZINC000904330105 656324771 /nfs/dbraw/zinc/32/47/71/656324771.db2.gz ZQKDIIKSHPYSRD-GARJFASQSA-N 2 0 261.391 -0.311 20 0 CBADRP CN1CCN(Cc2ccc(N3CC[NH2+]CC3)o2)[C@@H](C[NH3+])C1 ZINC000904350940 656324917 /nfs/dbraw/zinc/32/49/17/656324917.db2.gz RODNGZYRQGDOPT-ZDUSSCGKSA-N 2 0 293.415 -0.236 20 0 CBADRP Cn1cc(N2CC[C@@H]([NH2+]C3CC(C[NH3+])C3)C2=O)cn1 ZINC000904364643 656324920 /nfs/dbraw/zinc/32/49/20/656324920.db2.gz ZWWBIZIKLLTLRE-RTYFJBAXSA-N 2 0 263.345 -0.148 20 0 CBADRP C[C@]1(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)CCC[NH2+]C1 ZINC000904376639 656325657 /nfs/dbraw/zinc/32/56/57/656325657.db2.gz VUTSZYSHGYKELA-NEPJUHHUSA-N 2 0 275.418 0.000 20 0 CBADRP C[C@@]1(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)CCC[NH2+]C1 ZINC000904376642 656326024 /nfs/dbraw/zinc/32/60/24/656326024.db2.gz VUTSZYSHGYKELA-VXGBXAGGSA-N 2 0 275.418 0.000 20 0 CBADRP CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904380403 656326076 /nfs/dbraw/zinc/32/60/76/656326076.db2.gz BRSJIPAJAUUYDX-SDDRHHMPSA-N 2 0 275.418 -0.015 20 0 CBADRP Cn1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c(=O)n(C)c1=O ZINC000904405477 656326582 /nfs/dbraw/zinc/32/65/82/656326582.db2.gz JUCZACKAJNFPGY-JTQLQIEISA-N 2 0 266.345 -0.745 20 0 CBADRP [NH3+][C@]1(CO)CCCN(Cc2ccc(N3CC[NH2+]CC3)o2)C1 ZINC000904407592 656326912 /nfs/dbraw/zinc/32/69/12/656326912.db2.gz WZISFCYSVFLMOD-OAHLLOKOSA-N 2 0 294.399 -0.025 20 0 CBADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)CC[NH2+]1 ZINC000904429184 656327044 /nfs/dbraw/zinc/32/70/44/656327044.db2.gz YRUDBTYWHKEEDO-WOPDTQHZSA-N 2 0 275.418 -0.015 20 0 CBADRP Cn1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(=O)n(C)c1=O ZINC000904421212 656327167 /nfs/dbraw/zinc/32/71/67/656327167.db2.gz SWTGUTLTZFGVGV-WDEREUQCSA-N 2 0 278.356 -0.875 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000904959603 656330834 /nfs/dbraw/zinc/33/08/34/656330834.db2.gz RQRXNJSOUPHZKA-UUIJZJDISA-N 2 0 294.399 -0.655 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000904962280 656331167 /nfs/dbraw/zinc/33/11/67/656331167.db2.gz ACXGJEKGVPCQRQ-UHIISALHSA-N 2 0 282.388 -0.798 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C[NH3+])C3)C[C@]2(C)C1 ZINC000904961966 656331336 /nfs/dbraw/zinc/33/13/36/656331336.db2.gz YCMPIYWUQGRRJU-JMSVASOKSA-N 2 0 294.399 -0.796 20 0 CBADRP CC[NH+]1CCC([NH2+]C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000905025532 656334840 /nfs/dbraw/zinc/33/48/40/656334840.db2.gz LGTZIRMZYOSFEC-CYBMUJFWSA-N 2 0 272.389 -0.037 20 0 CBADRP [NH2+]=C(NC[C@H]1CCCS1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000905045586 656335797 /nfs/dbraw/zinc/33/57/97/656335797.db2.gz DDNLSOFLYYLBMP-NWDGAFQWSA-N 2 0 283.445 -0.004 20 0 CBADRP C[NH+](C)CCn1cc(CN2CCC[C@@H]([NH3+])C2)nn1 ZINC000905061090 656336614 /nfs/dbraw/zinc/33/66/14/656336614.db2.gz CIEBEPPADRFACH-LLVKDONJSA-N 2 0 252.366 -0.237 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905095101 656337888 /nfs/dbraw/zinc/33/78/88/656337888.db2.gz HYNRCTMBLJOGGM-STQMWFEESA-N 2 0 271.405 -0.512 20 0 CBADRP C[NH+](C)CCN1CCC([NH2+]C[C@@H](O)C2(O)CCC2)CC1 ZINC000905294793 656348891 /nfs/dbraw/zinc/34/88/91/656348891.db2.gz KQYJHWMJMHTTDP-CQSZACIVSA-N 2 0 285.432 -0.122 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NCC[C@H]1CC[NH2+]C1 ZINC000905328531 656349029 /nfs/dbraw/zinc/34/90/29/656349029.db2.gz BKHOKIRKILADHV-LLVKDONJSA-N 2 0 275.418 -0.095 20 0 CBADRP C[NH2+]C[C@H]1CCCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905330615 656349521 /nfs/dbraw/zinc/34/95/21/656349521.db2.gz VJAHRNSLVIREBT-GFCCVEGCSA-N 2 0 275.418 0.000 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CCO1 ZINC000905330588 656349607 /nfs/dbraw/zinc/34/96/07/656349607.db2.gz URBNMZBNRDDEFZ-PWSUYJOCSA-N 2 0 291.417 -0.636 20 0 CBADRP C[C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000905341587 656350230 /nfs/dbraw/zinc/35/02/30/656350230.db2.gz APKLTWFFGKIDOX-QWRGUYRKSA-N 2 0 275.418 -0.002 20 0 CBADRP [NH3+]CC12CC(C1)CN2S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905346184 656351195 /nfs/dbraw/zinc/35/11/95/656351195.db2.gz XCLIYHGXZYUZFU-UHFFFAOYSA-N 2 0 273.402 -0.261 20 0 CBADRP [NH3+]CC[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)C(F)F ZINC000905345919 656351232 /nfs/dbraw/zinc/35/12/32/656351232.db2.gz ZJICJUAAOWARGN-SECBINFHSA-N 2 0 285.360 -0.112 20 0 CBADRP C[C@@H]1[NH2+]CCN(S(=O)(=O)CC2CC[NH2+]CC2)[C@H]1C ZINC000905345375 656351308 /nfs/dbraw/zinc/35/13/08/656351308.db2.gz VWFCGRDQEDROKX-QWRGUYRKSA-N 2 0 275.418 -0.002 20 0 CBADRP CCN1CC[C@@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000905443006 656357503 /nfs/dbraw/zinc/35/75/03/656357503.db2.gz XERHGXUEPZWYBG-ZIAGYGMSSA-N 2 0 270.421 -0.722 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000905491826 656360315 /nfs/dbraw/zinc/36/03/15/656360315.db2.gz MSTHSNMITJVNIC-IJLUTSLNSA-N 2 0 256.346 -0.158 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000906410849 656385881 /nfs/dbraw/zinc/38/58/81/656385881.db2.gz MKGHJVSYGVNPSN-CYBMUJFWSA-N 2 0 280.416 -0.167 20 0 CBADRP [NH3+]C1CC(NCc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000906511031 656389457 /nfs/dbraw/zinc/38/94/57/656389457.db2.gz QHRKIPKMFHDBRX-VQXHTEKXSA-N 2 0 250.350 -0.218 20 0 CBADRP O=C([C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC([NH2+]CCO)CC1 ZINC000996619005 656447740 /nfs/dbraw/zinc/44/77/40/656447740.db2.gz JCUPSFNNIBPOKO-KBPBESRZSA-N 2 0 297.399 -0.578 20 0 CBADRP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1)C(N)=O ZINC000996723362 656454497 /nfs/dbraw/zinc/45/44/97/656454497.db2.gz MAOPKGOLEDGFJK-AAEUAGOBSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1)C(N)=O ZINC000996997081 656463582 /nfs/dbraw/zinc/46/35/82/656463582.db2.gz DZBGAFPVZDGQMJ-RYUDHWBXSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC000997297386 656471734 /nfs/dbraw/zinc/47/17/34/656471734.db2.gz FRGDVZUDEUSHOZ-YPMHNXCESA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC([NH2+]CCO)CC1 ZINC000997313612 656472554 /nfs/dbraw/zinc/47/25/54/656472554.db2.gz RVQVFONEAJVIQI-ZDUSSCGKSA-N 2 0 299.415 -0.472 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC000997300525 656472742 /nfs/dbraw/zinc/47/27/42/656472742.db2.gz WNSXDPPHLMQSKZ-DGCLKSJQSA-N 2 0 294.399 -0.593 20 0 CBADRP CC[C@@H]([NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1)C(N)=O ZINC000997307830 656472786 /nfs/dbraw/zinc/47/27/86/656472786.db2.gz WYLYYNOTZIIDCM-CYBMUJFWSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC(N)=O)CC1 ZINC000997422406 656477123 /nfs/dbraw/zinc/47/71/23/656477123.db2.gz XSFOXBTUIOTBGF-YPMHNXCESA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC(N)=O)CC1 ZINC000997868980 656500592 /nfs/dbraw/zinc/50/05/92/656500592.db2.gz XSFOXBTUIOTBGF-WCQYABFASA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H](O)CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000907515558 656518791 /nfs/dbraw/zinc/51/87/91/656518791.db2.gz MWLQHPMIILNMEF-JHJVBQTASA-N 2 0 269.389 -0.006 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCN1CCCOCC1 ZINC000907614407 656540154 /nfs/dbraw/zinc/54/01/54/656540154.db2.gz YCVIUQIIUVMAGO-GXTWGEPZSA-N 2 0 285.388 -0.720 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NCC[NH+]2CCCOCC2)C1 ZINC000907619017 656542345 /nfs/dbraw/zinc/54/23/45/656542345.db2.gz YMVCZEOWJNTONX-UHFFFAOYSA-N 2 0 298.431 -0.682 20 0 CBADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]CCO)C1 ZINC000998535732 656544714 /nfs/dbraw/zinc/54/47/14/656544714.db2.gz PMDSVNFCMHKTHL-MCIGGMRASA-N 2 0 255.362 -0.348 20 0 CBADRP C[NH+]1CC2(C1)CCN(C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)C2 ZINC000907762549 656570494 /nfs/dbraw/zinc/57/04/94/656570494.db2.gz FRHHHXKHZVHNSH-DGCLKSJQSA-N 2 0 267.373 -0.394 20 0 CBADRP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000907780435 656574545 /nfs/dbraw/zinc/57/45/45/656574545.db2.gz FBBLMYUKFVSGLG-AEGPPILISA-N 2 0 299.415 -0.643 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC000998734584 656576626 /nfs/dbraw/zinc/57/66/26/656576626.db2.gz XPIIYTGMGFJYDE-NWDGAFQWSA-N 2 0 255.362 -0.347 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)C3C[NH+]([C@@H]4CCOC4)C3)C[C@H]2C1 ZINC000907804795 656582227 /nfs/dbraw/zinc/58/22/27/656582227.db2.gz JLWXYZTUYIZMKH-MBNYWOFBSA-N 2 0 279.384 -0.273 20 0 CBADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC([NH2+]CCO)C1 ZINC000998781338 656583074 /nfs/dbraw/zinc/58/30/74/656583074.db2.gz WIDOMZIXMCHENH-JXQTWKCFSA-N 2 0 281.400 -0.101 20 0 CBADRP CN(C(=O)CC1CC[NH+](C)CC1)C1CC([NH2+]CC(N)=O)C1 ZINC000999509203 656631980 /nfs/dbraw/zinc/63/19/80/656631980.db2.gz OYGLVSSVLJRNBP-UHFFFAOYSA-N 2 0 296.415 -0.217 20 0 CBADRP CCN1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)[C@H](C)C1 ZINC000908136247 656653486 /nfs/dbraw/zinc/65/34/86/656653486.db2.gz BKDVZRCFDJORJH-BZPMIXESSA-N 2 0 269.389 -0.006 20 0 CBADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]CC(N)=O)C1 ZINC000999834105 656655759 /nfs/dbraw/zinc/65/57/59/656655759.db2.gz RGVHGZZDIPQAJO-UHFFFAOYSA-N 2 0 268.361 -0.854 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000908204397 656670070 /nfs/dbraw/zinc/67/00/70/656670070.db2.gz VFABHNIWLMLRQX-RMRHIDDWSA-N 2 0 297.399 -0.891 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001000020861 656681277 /nfs/dbraw/zinc/68/12/77/656681277.db2.gz QREWMDMEJYTBSJ-RWMBFGLXSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001000219988 656703364 /nfs/dbraw/zinc/70/33/64/656703364.db2.gz QPXOTGVPAFEWLJ-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP C[NH+]1CCC(OCC(=O)N2CCC[C@@H]([NH2+]CCO)C2)CC1 ZINC001000571406 656740936 /nfs/dbraw/zinc/74/09/36/656740936.db2.gz IOXBSCNRPCOSTP-CYBMUJFWSA-N 2 0 299.415 -0.330 20 0 CBADRP C[NH+](C)CCONC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000908527458 656741629 /nfs/dbraw/zinc/74/16/29/656741629.db2.gz FNDGBKGHNQNSGG-LBPRGKRZSA-N 2 0 259.350 -0.557 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001000687714 656759296 /nfs/dbraw/zinc/75/92/96/656759296.db2.gz HMPKOMLQPDHLNQ-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001000686152 656759595 /nfs/dbraw/zinc/75/95/95/656759595.db2.gz ALXIIRDLWDIYGN-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001000922290 656773929 /nfs/dbraw/zinc/77/39/29/656773929.db2.gz ABYXOVDBMGLBRA-QWHCGFSZSA-N 2 0 294.399 -0.449 20 0 CBADRP COC(=O)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[N@H+](C)C1 ZINC000910413486 656857335 /nfs/dbraw/zinc/85/73/35/656857335.db2.gz LUBMWDLHDHWXEF-GFCCVEGCSA-N 2 0 295.383 -0.355 20 0 CBADRP C[NH+]1CCC(C(=O)NC2CC[NH+](CCO)CC2)CC1 ZINC001003548467 656862564 /nfs/dbraw/zinc/86/25/64/656862564.db2.gz RHAVMEHWLOPGEY-UHFFFAOYSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004150233 656881467 /nfs/dbraw/zinc/88/14/67/656881467.db2.gz QRONHAAIQQJLMP-NEPJUHHUSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004147029 656881602 /nfs/dbraw/zinc/88/16/02/656881602.db2.gz CJRQFLHVZWIPAP-AAEUAGOBSA-N 2 0 296.415 -0.217 20 0 CBADRP CCN(C(=O)C(=O)NC[C@H]1CCN1CC)[C@@H]1CC[N@H+](C)C1 ZINC000910735887 656887144 /nfs/dbraw/zinc/88/71/44/656887144.db2.gz GWIHLOUZHGBJPL-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CCN1CC[C@@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000910731184 656887240 /nfs/dbraw/zinc/88/72/40/656887240.db2.gz UTQHVIOMWRSOHI-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000910954518 656911934 /nfs/dbraw/zinc/91/19/34/656911934.db2.gz AJAVTVLXAGDIJM-LBPRGKRZSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000910958780 656912452 /nfs/dbraw/zinc/91/24/52/656912452.db2.gz PIOURESCXHDJAX-NHYWBVRUSA-N 2 0 294.399 -0.463 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000910964414 656913598 /nfs/dbraw/zinc/91/35/98/656913598.db2.gz UTXBOJCDMGNKID-YNEHKIRRSA-N 2 0 294.399 -0.404 20 0 CBADRP CC(C)(CNC(=O)C(=O)NCC1([NH3+])CC1)[NH+]1CCCCC1 ZINC000910960867 656914906 /nfs/dbraw/zinc/91/49/06/656914906.db2.gz XBVRXNMIKXVLLA-UHFFFAOYSA-N 2 0 296.415 -0.025 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000910975000 656917614 /nfs/dbraw/zinc/91/76/14/656917614.db2.gz BPBANGGRNHNOMD-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000911006622 656927914 /nfs/dbraw/zinc/92/79/14/656927914.db2.gz GFRZISDEQLWCKK-GRYCIOLGSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000911007928 656929027 /nfs/dbraw/zinc/92/90/27/656929027.db2.gz LFCLZQSFQSMWNL-MROQNXINSA-N 2 0 296.415 -0.443 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC[N@@H+]1C ZINC000911007405 656929353 /nfs/dbraw/zinc/92/93/53/656929353.db2.gz JPWMHDPFOGYYNQ-IJLUTSLNSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000911016236 656931283 /nfs/dbraw/zinc/93/12/83/656931283.db2.gz XJGQNWIQGXFKGA-FRRDWIJNSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911071589 656940031 /nfs/dbraw/zinc/94/00/31/656940031.db2.gz ANOLDJKAIVWNBW-UTUOFQBUSA-N 2 0 284.404 -0.586 20 0 CBADRP CC1(C)CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1[NH3+] ZINC000911072240 656939970 /nfs/dbraw/zinc/93/99/70/656939970.db2.gz HOUCSAIRBNKHKT-PWSUYJOCSA-N 2 0 294.399 -0.465 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911072981 656941011 /nfs/dbraw/zinc/94/10/11/656941011.db2.gz OGIFDVJEXUERND-GMTAPVOTSA-N 2 0 270.377 -0.704 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000911081985 656942498 /nfs/dbraw/zinc/94/24/98/656942498.db2.gz ZBTXOGNXQUHENA-AVGNSLFASA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H]1[NH3+] ZINC000911080784 656942758 /nfs/dbraw/zinc/94/27/58/656942758.db2.gz SMZDFVKFSFCALK-YVECIDJPSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000911117092 656953608 /nfs/dbraw/zinc/95/36/08/656953608.db2.gz VLNWTYWZMYBLFK-GHMZBOCLSA-N 2 0 282.388 -0.689 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911185677 656975561 /nfs/dbraw/zinc/97/55/61/656975561.db2.gz BLSVEEDBZFKYLT-QNWHQSFQSA-N 2 0 296.415 -0.158 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911187200 656976399 /nfs/dbraw/zinc/97/63/99/656976399.db2.gz NFNBVGSLWKTWIC-IJLUTSLNSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)[N@H+](C)C1CC1 ZINC000911206600 656984439 /nfs/dbraw/zinc/98/44/39/656984439.db2.gz QZRKEQGPPTVCKB-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)[N@H+](C)C1CC1 ZINC000911206657 656985029 /nfs/dbraw/zinc/98/50/29/656985029.db2.gz RVUAOJDPJNVUFJ-CMPLNLGQSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)[N@H+](C)C1CC1 ZINC000911206019 656985128 /nfs/dbraw/zinc/98/51/28/656985128.db2.gz OPINTJHRGBUMCW-WOPDTQHZSA-N 2 0 296.415 -0.443 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000911215679 656986957 /nfs/dbraw/zinc/98/69/57/656986957.db2.gz RCQOBBBORPEXRO-YNEHKIRRSA-N 2 0 294.399 -0.321 20 0 CBADRP C[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)C1=CC[N@H+](C)CC1 ZINC000911217613 656988436 /nfs/dbraw/zinc/98/84/36/656988436.db2.gz GIDQOZIPMKHTGQ-YPMHNXCESA-N 2 0 294.399 -0.297 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000911222277 656991129 /nfs/dbraw/zinc/99/11/29/656991129.db2.gz BYTWKXKMVZAHJO-LLVKDONJSA-N 2 0 280.372 -0.806 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)C1CCCC1 ZINC000911236239 656993543 /nfs/dbraw/zinc/99/35/43/656993543.db2.gz NOYRBKSHCATZGJ-HAQNSBGRSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911244958 656996090 /nfs/dbraw/zinc/99/60/90/656996090.db2.gz UZOXYJDQPPUNDG-OAHLLOKOSA-N 2 0 296.415 -0.201 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911254980 656998911 /nfs/dbraw/zinc/99/89/11/656998911.db2.gz IUCSRVXGXGNRGZ-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000911259303 657001311 /nfs/dbraw/zinc/00/13/11/657001311.db2.gz XPTFKFLNGIQDKD-UHFFFAOYSA-N 2 0 294.399 -0.416 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000911268004 657003081 /nfs/dbraw/zinc/00/30/81/657003081.db2.gz SSOXJHQYPBPDPD-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000911268719 657003242 /nfs/dbraw/zinc/00/32/42/657003242.db2.gz FGFZNSHDQWCMAN-YVECIDJPSA-N 2 0 294.399 -0.547 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911270038 657004557 /nfs/dbraw/zinc/00/45/57/657004557.db2.gz GWNFFYAOPTUSNV-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000911275605 657006547 /nfs/dbraw/zinc/00/65/47/657006547.db2.gz YDFKSHCPMABVNQ-LLVKDONJSA-N 2 0 284.404 -0.489 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)C[C@]2(C)C1 ZINC000911273885 657007069 /nfs/dbraw/zinc/00/70/69/657007069.db2.gz METJWWOTWQJSPU-JMSVASOKSA-N 2 0 294.399 -0.750 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000911274690 657007105 /nfs/dbraw/zinc/00/71/05/657007105.db2.gz QPAHWUREPRQWMV-GFCCVEGCSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911279045 657007656 /nfs/dbraw/zinc/00/76/56/657007656.db2.gz AVHSNIIRNSGYEW-JTQLQIEISA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000911283179 657009530 /nfs/dbraw/zinc/00/95/30/657009530.db2.gz XTRAGEBUUWNQOU-BZUNDVKYSA-N 2 0 296.415 -0.027 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NCC1C[NH2+]C1 ZINC000911289048 657011961 /nfs/dbraw/zinc/01/19/61/657011961.db2.gz XYICMADZTNJHEF-UHFFFAOYSA-N 2 0 284.404 -0.632 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000911299070 657014974 /nfs/dbraw/zinc/01/49/74/657014974.db2.gz ZCKARXIXAQDBNF-LLVKDONJSA-N 2 0 286.420 -0.114 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911305051 657016521 /nfs/dbraw/zinc/01/65/21/657016521.db2.gz FDWVXRMRDBETPT-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000911313554 657018521 /nfs/dbraw/zinc/01/85/21/657018521.db2.gz GCEVOBMCHJKNKG-IKWCTNDRSA-N 2 0 296.415 -0.301 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911314122 657018555 /nfs/dbraw/zinc/01/85/55/657018555.db2.gz WWZJYJNDGSZSGB-UHFFFAOYSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000911325379 657020144 /nfs/dbraw/zinc/02/01/44/657020144.db2.gz SBCHXHPPUYXSEL-NDBYEHHHSA-N 2 0 296.415 -0.586 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911366434 657027899 /nfs/dbraw/zinc/02/78/99/657027899.db2.gz FPPIMJHUKBEYSC-NWJSVONSSA-N 2 0 294.399 -0.879 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000911365132 657028121 /nfs/dbraw/zinc/02/81/21/657028121.db2.gz BUISMGMEMZESPA-GRYCIOLGSA-N 2 0 282.388 -0.737 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000911369757 657028644 /nfs/dbraw/zinc/02/86/44/657028644.db2.gz BYWOCDHBPNUXPN-YVECIDJPSA-N 2 0 296.415 -0.491 20 0 CBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911370118 657030216 /nfs/dbraw/zinc/03/02/16/657030216.db2.gz PENAEYIJPCKGGJ-JHJVBQTASA-N 2 0 296.415 -0.441 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000911373614 657030249 /nfs/dbraw/zinc/03/02/49/657030249.db2.gz HOFDTZLGAPHNEH-VXGBXAGGSA-N 2 0 284.404 -0.443 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911370357 657030376 /nfs/dbraw/zinc/03/03/76/657030376.db2.gz XYCURYHRJOCDGE-FRRDWIJNSA-N 2 0 296.415 -0.489 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911375191 657031092 /nfs/dbraw/zinc/03/10/92/657031092.db2.gz REQJOWRTTXQCFS-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000911402718 657036018 /nfs/dbraw/zinc/03/60/18/657036018.db2.gz IZAGINDYRKKMQX-JTQLQIEISA-N 2 0 293.371 -0.431 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911488394 657055417 /nfs/dbraw/zinc/05/54/17/657055417.db2.gz YRCQYHWFYGUEHG-AGIUHOORSA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000911488090 657055449 /nfs/dbraw/zinc/05/54/49/657055449.db2.gz HUWJPFNOMTWZKQ-WOPDTQHZSA-N 2 0 282.388 -0.560 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911495794 657055468 /nfs/dbraw/zinc/05/54/68/657055468.db2.gz UQYDEIKPSADALK-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911503683 657057230 /nfs/dbraw/zinc/05/72/30/657057230.db2.gz QFWVOTQJVWAWJE-UHFFFAOYSA-N 2 0 268.361 -0.852 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000911502374 657057721 /nfs/dbraw/zinc/05/77/21/657057721.db2.gz GDTCDPKMCJOIBK-RYUDHWBXSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000911502373 657057730 /nfs/dbraw/zinc/05/77/30/657057730.db2.gz GDTCDPKMCJOIBK-NWDGAFQWSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911504849 657058452 /nfs/dbraw/zinc/05/84/52/657058452.db2.gz NTBQBCXXPGTJOI-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000911506352 657060881 /nfs/dbraw/zinc/06/08/81/657060881.db2.gz LJSJYWWDKRCQQB-GFCCVEGCSA-N 2 0 294.399 -0.319 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911518741 657065165 /nfs/dbraw/zinc/06/51/65/657065165.db2.gz AXGSQMZPTIISME-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH3+] ZINC000911533274 657070206 /nfs/dbraw/zinc/07/02/06/657070206.db2.gz ONJJNWJVFGHHEQ-VXGBXAGGSA-N 2 0 296.415 -0.360 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911541817 657073415 /nfs/dbraw/zinc/07/34/15/657073415.db2.gz IDOCXHLSQTVXCP-YNEHKIRRSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)C(C)C ZINC000911560673 657077891 /nfs/dbraw/zinc/07/78/91/657077891.db2.gz QULMJNYBNZCYPV-HAQNSBGRSA-N 2 0 284.404 -0.314 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)C1 ZINC000911618563 657085540 /nfs/dbraw/zinc/08/55/40/657085540.db2.gz BDMUJPPAXYQRQV-SNVBAGLBSA-N 2 0 266.345 -0.165 20 0 CBADRP [NH3+]C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC1 ZINC000911619285 657085904 /nfs/dbraw/zinc/08/59/04/657085904.db2.gz ICTBTRNIRREKNF-MFKMUULPSA-N 2 0 253.346 -0.438 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC000911633293 657091078 /nfs/dbraw/zinc/09/10/78/657091078.db2.gz GOARKKSTLZKYQS-RYUDHWBXSA-N 2 0 254.378 -0.652 20 0 CBADRP [NH3+]Cc1ccc2nc(C(=O)N3CC[NH2+]CC3)cn2c1 ZINC000911647179 657095241 /nfs/dbraw/zinc/09/52/41/657095241.db2.gz SPUBPCVUWAPZRQ-UHFFFAOYSA-N 2 0 259.313 -0.162 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC000911657457 657098802 /nfs/dbraw/zinc/09/88/02/657098802.db2.gz UMLCVNFHWAOUJP-QWRGUYRKSA-N 2 0 268.361 -0.996 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911672255 657100180 /nfs/dbraw/zinc/10/01/80/657100180.db2.gz JNEJINYFMGERSY-OCCSQVGLSA-N 2 0 267.373 -0.272 20 0 CBADRP C[NH2+]CCCNC(=O)c1cnn2cc(CC[NH3+])cnc12 ZINC000911679382 657103397 /nfs/dbraw/zinc/10/33/97/657103397.db2.gz ZTWFVMXTOZPPHT-UHFFFAOYSA-N 2 0 276.344 -0.430 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911692963 657103471 /nfs/dbraw/zinc/10/34/71/657103471.db2.gz CLKUFEFLYGJJJZ-YPMHNXCESA-N 2 0 252.362 -0.850 20 0 CBADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000911694340 657104565 /nfs/dbraw/zinc/10/45/65/657104565.db2.gz VAZCYHKJNDZVON-NWDGAFQWSA-N 2 0 256.394 -0.229 20 0 CBADRP CC(C)C[C@H]([NH3+])CC(=O)NCCN1CC[NH2+]CC1 ZINC000911693583 657105150 /nfs/dbraw/zinc/10/51/50/657105150.db2.gz MFBKXGPMPBFCLF-LBPRGKRZSA-N 2 0 256.394 -0.229 20 0 CBADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000911694343 657105210 /nfs/dbraw/zinc/10/52/10/657105210.db2.gz VAZCYHKJNDZVON-VXGBXAGGSA-N 2 0 256.394 -0.229 20 0 CBADRP CC(C)(C)[C@@H]([NH3+])CC(=O)NCCN1CC[NH2+]CC1 ZINC000911694917 657105616 /nfs/dbraw/zinc/10/56/16/657105616.db2.gz GJNWLFODUKGYSG-NSHDSACASA-N 2 0 256.394 -0.229 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)NC[C@@H]1CCC[NH2+]C1 ZINC000911704919 657109001 /nfs/dbraw/zinc/10/90/01/657109001.db2.gz YOCODACLJFOSRC-DGCLKSJQSA-N 2 0 255.362 -0.393 20 0 CBADRP O=C(CNC(=O)[C@]12CC[NH2+][C@H]1CCCC2)N1CC[NH2+]CC1 ZINC000911702558 657110520 /nfs/dbraw/zinc/11/05/20/657110520.db2.gz NTZLDWCIVRLRJY-SWLSCSKDSA-N 2 0 294.399 -0.543 20 0 CBADRP C[C@H](NC(=O)C[C@@]1(O)CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000911717045 657113947 /nfs/dbraw/zinc/11/39/47/657113947.db2.gz ASMQCRPPQXYNHK-OBJOEFQTSA-N 2 0 269.389 -0.005 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)c1cnn2cc(CC[NH3+])cnc12 ZINC000911721334 657115176 /nfs/dbraw/zinc/11/51/76/657115176.db2.gz KPDGGTDFWVRLBB-SNVBAGLBSA-N 2 0 288.355 -0.336 20 0 CBADRP C[NH2+]C1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCC1 ZINC000911728499 657116827 /nfs/dbraw/zinc/11/68/27/657116827.db2.gz VHGBCUVYUJJLSF-NSHDSACASA-N 2 0 282.388 -0.558 20 0 CBADRP [NH3+]C1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC1 ZINC000911728109 657117829 /nfs/dbraw/zinc/11/78/29/657117829.db2.gz QZKSOVIZFBREKY-NPZBDFSRSA-N 2 0 267.373 -0.001 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC000911725560 657118156 /nfs/dbraw/zinc/11/81/56/657118156.db2.gz WMKCEKCHRLRLDO-MNOVXSKESA-N 2 0 268.361 -0.996 20 0 CBADRP [NH3+]C[C@H]1CCN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000911738926 657119661 /nfs/dbraw/zinc/11/96/61/657119661.db2.gz ODWIYMDVJSZVLH-ZWNOBZJWSA-N 2 0 266.345 -0.308 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)NC[C@H]2CCC[NH2+]2)n1 ZINC000911752285 657121069 /nfs/dbraw/zinc/12/10/69/657121069.db2.gz UBTMDSGFAFWFOE-SNVBAGLBSA-N 2 0 251.334 -0.286 20 0 CBADRP C[NH2+]CCNC(=O)c1ccc2c(c1)CC[C@@H]([NH3+])C(=O)N2 ZINC000911748488 657121161 /nfs/dbraw/zinc/12/11/61/657121161.db2.gz NKBHRIXOABCPBW-LLVKDONJSA-N 2 0 276.340 -0.152 20 0 CBADRP CCCN(C(=O)[C@H]1CCCN(CC[NH3+])C1=O)[C@H]1CC[NH2+]C1 ZINC000911766483 657124395 /nfs/dbraw/zinc/12/43/95/657124395.db2.gz DZHKMHNELDHXEY-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000911764629 657124526 /nfs/dbraw/zinc/12/45/26/657124526.db2.gz NEWMIESDKRZTSQ-OLZOCXBDSA-N 2 0 262.357 -0.294 20 0 CBADRP CC(C)(C[NH3+])NC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911762080 657124555 /nfs/dbraw/zinc/12/45/55/657124555.db2.gz LOKBRVSNRWYMFF-LBPRGKRZSA-N 2 0 254.334 -0.262 20 0 CBADRP CCCN(C(=O)[C@@H]1C[NH2+]CCN1C)[C@H]1CC[NH2+]C1 ZINC000911766336 657124767 /nfs/dbraw/zinc/12/47/67/657124767.db2.gz DPIPGGWNZBIQMJ-RYUDHWBXSA-N 2 0 254.378 -0.510 20 0 CBADRP C[NH2+]C[C@H]1CCN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)C1 ZINC000911773615 657125466 /nfs/dbraw/zinc/12/54/66/657125466.db2.gz DUVHHCLXRXNHDU-RISCZKNCSA-N 2 0 280.372 -0.047 20 0 CBADRP C[C@@H]1C[C@H](C(=O)N(C)CCN2CC[NH2+]CC2)CC[NH2+]1 ZINC000911774737 657125558 /nfs/dbraw/zinc/12/55/58/657125558.db2.gz MKPVVKGBCSRUOY-CHWSQXEVSA-N 2 0 268.405 -0.262 20 0 CBADRP C[NH2+]C[C@H]1CCN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000911773613 657125984 /nfs/dbraw/zinc/12/59/84/657125984.db2.gz DUVHHCLXRXNHDU-BXUZGUMPSA-N 2 0 280.372 -0.047 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC000911778708 657127465 /nfs/dbraw/zinc/12/74/65/657127465.db2.gz SYULNRKHWRRJTI-CYBMUJFWSA-N 2 0 296.415 -0.358 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911782766 657128814 /nfs/dbraw/zinc/12/88/14/657128814.db2.gz MSIVZSZPJBGLMA-PWSUYJOCSA-N 2 0 270.377 -0.704 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000911813514 657139319 /nfs/dbraw/zinc/13/93/19/657139319.db2.gz OCUSTORPPDKMQW-AAEUAGOBSA-N 2 0 257.378 -0.019 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC000911828122 657141267 /nfs/dbraw/zinc/14/12/67/657141267.db2.gz ZLJWWJAAKRXNKT-AVGNSLFASA-N 2 0 296.415 -0.231 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)c1ccn(CCC[NH3+])n1 ZINC000911825489 657141479 /nfs/dbraw/zinc/14/14/79/657141479.db2.gz HTPPMEZGXFZMIV-SNVBAGLBSA-N 2 0 253.350 -0.055 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC000911827373 657142445 /nfs/dbraw/zinc/14/24/45/657142445.db2.gz WZGZASGSXSIFQI-QJPTWQEYSA-N 2 0 254.378 -0.524 20 0 CBADRP [NH3+]C[C@H](NC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2)C1CC1 ZINC000911833996 657143495 /nfs/dbraw/zinc/14/34/95/657143495.db2.gz OCVRSZNCZMPDAK-WCQYABFASA-N 2 0 266.345 -0.262 20 0 CBADRP CC1(C)C[NH2+]CCN1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC000911848408 657147147 /nfs/dbraw/zinc/14/71/47/657147147.db2.gz VCGCFNGCBVEFLO-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911851368 657147205 /nfs/dbraw/zinc/14/72/05/657147205.db2.gz GSTBZNDMLZCLSF-GRYCIOLGSA-N 2 0 252.362 -0.757 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)CCNC(=O)[C@H]([NH3+])C(C)C ZINC000911864912 657149236 /nfs/dbraw/zinc/14/92/36/657149236.db2.gz UUXOZHOMVLJEFT-WCQYABFASA-N 2 0 284.404 -0.314 20 0 CBADRP CC[NH2+]CC1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC000911861288 657149250 /nfs/dbraw/zinc/14/92/50/657149250.db2.gz HTXSJWZPYMOVME-JSGCOSHPSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000911879511 657154026 /nfs/dbraw/zinc/15/40/26/657154026.db2.gz MYFLVNWKNFRLMJ-UTUOFQBUSA-N 2 0 254.378 -0.667 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911879026 657154042 /nfs/dbraw/zinc/15/40/42/657154042.db2.gz KIEWCFSUFUFMJP-OLZOCXBDSA-N 2 0 268.405 -0.040 20 0 CBADRP C[C@@H]1C[C@H](C(=O)N2CCN(C)C[C@H]2C[NH3+])CC[NH2+]1 ZINC000911881282 657155584 /nfs/dbraw/zinc/15/55/84/657155584.db2.gz ZSPVVPKYYAQMDM-IJLUTSLNSA-N 2 0 254.378 -0.524 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)CCO1 ZINC000911881125 657155847 /nfs/dbraw/zinc/15/58/47/657155847.db2.gz CTQGRPRRVYQHFZ-IWTNGPMKSA-N 2 0 253.346 -0.456 20 0 CBADRP CN1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC000911880676 657155925 /nfs/dbraw/zinc/15/59/25/657155925.db2.gz XCYBDAZAAAKFBV-GFCCVEGCSA-N 2 0 284.404 -0.802 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CCO1 ZINC000911881872 657156329 /nfs/dbraw/zinc/15/63/29/657156329.db2.gz GYAKVZVJTTWEMM-OPDFLTKYSA-N 2 0 283.372 -0.813 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)CCO1 ZINC000911885891 657157797 /nfs/dbraw/zinc/15/77/97/657157797.db2.gz ZYMCHCKZFKIGPX-WGBDABJCSA-N 2 0 253.346 -0.297 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000911885360 657158171 /nfs/dbraw/zinc/15/81/71/657158171.db2.gz VQMBLMLXCLLCLU-WRWGMCAJSA-N 2 0 255.362 -0.051 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C12CC[NH+](CC1)C2 ZINC000912461631 657269250 /nfs/dbraw/zinc/26/92/50/657269250.db2.gz KSAQFIRXXJZMKB-UHFFFAOYSA-N 2 0 296.415 -0.439 20 0 CBADRP CN(CC[N@H+](C)CCO)C(=O)C1(C[NH+](C)C)CC1 ZINC000912599118 657290429 /nfs/dbraw/zinc/29/04/29/657290429.db2.gz IHJIIOYXYRBIQE-UHFFFAOYSA-N 2 0 257.378 -0.289 20 0 CBADRP Cc1cncn1CC(=O)N1CCN(C)C[C@H]1CO ZINC000912734701 657318285 /nfs/dbraw/zinc/31/82/85/657318285.db2.gz MRYMAFRUXLYURO-NSHDSACASA-N 2 0 252.318 -0.674 20 0 CBADRP CN1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](CO)C1 ZINC000912735634 657318507 /nfs/dbraw/zinc/31/85/07/657318507.db2.gz CCNJTMYHAKPKBY-NSHDSACASA-N 2 0 255.362 -0.537 20 0 CBADRP CC(C)[C@H]1CN(C(=O)C2CN(C)CC[N@H+](C)C2)CC[NH2+]1 ZINC000912766867 657340841 /nfs/dbraw/zinc/34/08/41/657340841.db2.gz AEBJPDYCOXJDTR-CQSZACIVSA-N 2 0 282.432 -0.064 20 0 CBADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000913351627 657445269 /nfs/dbraw/zinc/44/52/69/657445269.db2.gz JHGUZFLGPWLRST-GXTWGEPZSA-N 2 0 285.388 -0.984 20 0 CBADRP COC(=O)CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000913436371 657451879 /nfs/dbraw/zinc/45/18/79/657451879.db2.gz HPRWGUKFLBIOAM-VXGBXAGGSA-N 2 0 285.388 -0.253 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](CCO)C2)CC[N@@H+]1C ZINC001015616935 657482302 /nfs/dbraw/zinc/48/23/02/657482302.db2.gz YJHSBPXHXVEGCF-AVGNSLFASA-N 2 0 269.389 -0.101 20 0 CBADRP CN(C[C@@H]1CN(C)CCO1)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000913507876 657482849 /nfs/dbraw/zinc/48/28/49/657482849.db2.gz UJHLMARZVHSLNC-OBJOEFQTSA-N 2 0 285.388 -0.770 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCO)C2)C1 ZINC001015710713 657523671 /nfs/dbraw/zinc/52/36/71/657523671.db2.gz QKRHMVSFTVHWPW-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CCO)C2)C1 ZINC001015710712 657524903 /nfs/dbraw/zinc/52/49/03/657524903.db2.gz QKRHMVSFTVHWPW-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@H+](CCO)C2)CC1 ZINC001015796337 657550256 /nfs/dbraw/zinc/55/02/56/657550256.db2.gz KQHPMMJXOBRYOZ-ZDUSSCGKSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@H+](CCO)C2)cn1 ZINC001015827031 657563002 /nfs/dbraw/zinc/56/30/02/657563002.db2.gz LWDXHXWJWQHRMZ-ZDUSSCGKSA-N 2 0 295.387 -0.759 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC23CC[NH+](CC2)C3)CC1 ZINC000913630889 657567475 /nfs/dbraw/zinc/56/74/75/657567475.db2.gz LNJFWUMBWMPJPL-UHFFFAOYSA-N 2 0 266.389 -0.412 20 0 CBADRP O=C(NC12CC[NH+](CC1)C2)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000913635889 657572251 /nfs/dbraw/zinc/57/22/51/657572251.db2.gz RSVJFFLPDILUPW-NWDGAFQWSA-N 2 0 265.357 -0.186 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC23CC[NH+](CC(N)=O)CC3)C1 ZINC001016970070 657743559 /nfs/dbraw/zinc/74/35/59/657743559.db2.gz RMXUYOXTHYYQAC-RYUDHWBXSA-N 2 0 294.399 -0.606 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC23CC[NH+](CC(N)=O)CC3)C1 ZINC001016970069 657743680 /nfs/dbraw/zinc/74/36/80/657743680.db2.gz RMXUYOXTHYYQAC-NWDGAFQWSA-N 2 0 294.399 -0.606 20 0 CBADRP C[C@@H]1CN(CCNC(=O)NC[C@@H]2CC[N@@H+]2C)CCO1 ZINC000915826958 657752473 /nfs/dbraw/zinc/75/24/73/657752473.db2.gz GCDKOEFWOYOKAJ-NEPJUHHUSA-N 2 0 270.377 -0.290 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NCC1([NH+](C)C)CC1 ZINC000916331533 657771230 /nfs/dbraw/zinc/77/12/30/657771230.db2.gz OZFVKNSJPKXBQP-UHFFFAOYSA-N 2 0 272.393 -0.042 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018838391 657849393 /nfs/dbraw/zinc/84/93/93/657849393.db2.gz ZEDGALVAFFQQRI-NWDGAFQWSA-N 2 0 282.388 -0.465 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC[C@H]([NH2+]CCO)C2)CCC1 ZINC001018962577 657855080 /nfs/dbraw/zinc/85/50/80/657855080.db2.gz FMQFIWDVUYTPJC-NSHDSACASA-N 2 0 255.362 -0.347 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000919635181 657855995 /nfs/dbraw/zinc/85/59/95/657855995.db2.gz NDFDIAWRBHGGDY-VXGBXAGGSA-N 2 0 270.377 -0.290 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018990949 657857055 /nfs/dbraw/zinc/85/70/55/657857055.db2.gz RSXCSZRDSSAXSB-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@@H](C)O)C1)[NH+](C)C ZINC001019032421 657858639 /nfs/dbraw/zinc/85/86/39/657858639.db2.gz WNZGOMIFFLKNMF-GRYCIOLGSA-N 2 0 257.378 -0.102 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](CC)C(N)=O)C1)[NH+](C)C ZINC001019033385 657859070 /nfs/dbraw/zinc/85/90/70/657859070.db2.gz LVSQURNTYUWZGA-SDDRHHMPSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)C(N)=O ZINC001019231294 657874482 /nfs/dbraw/zinc/87/44/82/657874482.db2.gz WOIAGJDDODPAON-RYUDHWBXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001019241566 657875920 /nfs/dbraw/zinc/87/59/20/657875920.db2.gz JRZATZYEZZHPTA-YNEHKIRRSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001019241686 657875963 /nfs/dbraw/zinc/87/59/63/657875963.db2.gz UTRPUPJJVYBZKO-GARJFASQSA-N 2 0 268.361 -0.855 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001019274847 657879371 /nfs/dbraw/zinc/87/93/71/657879371.db2.gz RNZMBCSBMSWAPP-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC001019289090 657880573 /nfs/dbraw/zinc/88/05/73/657880573.db2.gz UERYVYAHHWAQDQ-RNJOBUHISA-N 2 0 296.415 -0.219 20 0 CBADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001019339222 657885496 /nfs/dbraw/zinc/88/54/96/657885496.db2.gz VUEPKXXTDFNNLN-SDDRHHMPSA-N 2 0 284.404 -0.363 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001019324798 657886601 /nfs/dbraw/zinc/88/66/01/657886601.db2.gz CADJKRCMNBPMBT-YPMHNXCESA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001019382411 657891100 /nfs/dbraw/zinc/89/11/00/657891100.db2.gz ANMTZCPELHPEKJ-MNOVXSKESA-N 2 0 268.361 -0.996 20 0 CBADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1)C(N)=O ZINC001019394654 657892560 /nfs/dbraw/zinc/89/25/60/657892560.db2.gz LVSQURNTYUWZGA-SRVKXCTJSA-N 2 0 284.404 -0.219 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001020026112 657985166 /nfs/dbraw/zinc/98/51/66/657985166.db2.gz HMPQZVSCATUYRI-KKOKHZNYSA-N 2 0 280.372 -0.794 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001020029081 657989728 /nfs/dbraw/zinc/98/97/28/657989728.db2.gz UCFOSCJQYJIXHC-FIQHERPVSA-N 2 0 282.388 -0.419 20 0 CBADRP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CCOCCO ZINC000922125702 658005972 /nfs/dbraw/zinc/00/59/72/658005972.db2.gz VBICERPEJGQCNB-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)C(N)=O ZINC001020161923 658019116 /nfs/dbraw/zinc/01/91/16/658019116.db2.gz UAZBKTWAYXYJQI-XYJRDEOASA-N 2 0 294.399 -0.561 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001020150985 658020557 /nfs/dbraw/zinc/02/05/57/658020557.db2.gz GSIYGAMVCAMHEP-CYDGBPFRSA-N 2 0 294.399 -0.417 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001020301117 658035397 /nfs/dbraw/zinc/03/53/97/658035397.db2.gz PQZHVYBWOURILT-FDYHWXHSSA-N 2 0 294.399 -0.404 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001020432300 658048943 /nfs/dbraw/zinc/04/89/43/658048943.db2.gz HZTTWMGAJRDGQG-OBJOEFQTSA-N 2 0 294.399 -0.417 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001020543177 658071832 /nfs/dbraw/zinc/07/18/32/658071832.db2.gz BOOWRYCBACOWIO-AVGNSLFASA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001020541677 658072925 /nfs/dbraw/zinc/07/29/25/658072925.db2.gz JNXLWPJBRQYHLE-JHJVBQTASA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020589020 658076176 /nfs/dbraw/zinc/07/61/76/658076176.db2.gz UUUDSHYKILVXOI-DCAQKATOSA-N 2 0 268.361 -0.950 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001020588873 658077140 /nfs/dbraw/zinc/07/71/40/658077140.db2.gz OZQFXYJTPGIYSB-YVECIDJPSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1)C(N)=O ZINC001020591962 658078503 /nfs/dbraw/zinc/07/85/03/658078503.db2.gz XTYPKVKXJLJPPX-SRVKXCTJSA-N 2 0 296.415 -0.171 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001020927675 658115538 /nfs/dbraw/zinc/11/55/38/658115538.db2.gz OBJMAIPRRJPRPR-LPWJVIDDSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001020929272 658118590 /nfs/dbraw/zinc/11/85/90/658118590.db2.gz VYCJSWIYMWPGRM-FDYHWXHSSA-N 2 0 269.389 -0.054 20 0 CBADRP C[NH+](C)C1(CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000922982317 658118297 /nfs/dbraw/zinc/11/82/97/658118297.db2.gz AGBFORZCMUQXOG-LLVKDONJSA-N 2 0 270.377 -0.554 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001020928873 658121157 /nfs/dbraw/zinc/12/11/57/658121157.db2.gz ONBONZNHHJROPQ-BJDJZHNGSA-N 2 0 282.388 -0.561 20 0 CBADRP CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001021046254 658134530 /nfs/dbraw/zinc/13/45/30/658134530.db2.gz PRWNCXQTLZQFMV-JHJVBQTASA-N 2 0 294.399 -0.450 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001021044769 658135596 /nfs/dbraw/zinc/13/55/96/658135596.db2.gz SZASUUBNTYJYKE-KKOKHZNYSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001021045637 658137603 /nfs/dbraw/zinc/13/76/03/658137603.db2.gz HADVXWUTTMAUOY-GMTAPVOTSA-N 2 0 268.361 -0.807 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001021051322 658140059 /nfs/dbraw/zinc/14/00/59/658140059.db2.gz JIEZXJQNONJXMO-SRVKXCTJSA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001021049321 658143574 /nfs/dbraw/zinc/14/35/74/658143574.db2.gz MEJJGVAIJFVQHX-DDHJBXDOSA-N 2 0 255.362 -0.444 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001021051020 658142097 /nfs/dbraw/zinc/14/20/97/658142097.db2.gz BJGXAWRGJKFJBM-AVGNSLFASA-N 2 0 294.399 -0.402 20 0 CBADRP CC(C)COC[C@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000923283524 658187242 /nfs/dbraw/zinc/18/72/42/658187242.db2.gz BDXRVQNOQANQJR-CQSZACIVSA-N 2 0 273.421 -0.143 20 0 CBADRP CCOC[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283951 658189663 /nfs/dbraw/zinc/18/96/63/658189663.db2.gz ZPNXPXOORKFDMM-KGLIPLIRSA-N 2 0 299.415 -0.472 20 0 CBADRP [NH3+]C[C@@H]1CC[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000923282497 658190614 /nfs/dbraw/zinc/19/06/14/658190614.db2.gz UXVFFVFHWVKPDB-AVGNSLFASA-N 2 0 258.362 -0.177 20 0 CBADRP CC(=O)N[C@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923302771 658198890 /nfs/dbraw/zinc/19/88/90/658198890.db2.gz CPBMKXBIKWDZKV-STQMWFEESA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@H](N3CCCC3=O)C2)C1 ZINC000923311507 658201974 /nfs/dbraw/zinc/20/19/74/658201974.db2.gz OLCJXHQLXYSKKW-CYDGBPFRSA-N 2 0 267.373 -0.076 20 0 CBADRP CNC(=O)[C@@H](C)C[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923314250 658203022 /nfs/dbraw/zinc/20/30/22/658203022.db2.gz FFKMCVAMSMLQTG-WDEREUQCSA-N 2 0 255.362 -0.321 20 0 CBADRP CCC[N@@H+](CC(=O)NC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923310128 658204418 /nfs/dbraw/zinc/20/44/18/658204418.db2.gz RVVMIHCCHQPWIX-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP O=C1NCCN1[C@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923309162 658205578 /nfs/dbraw/zinc/20/55/78/658205578.db2.gz SUNWDJRPLNLFCJ-STQMWFEESA-N 2 0 294.399 -0.146 20 0 CBADRP CNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923313209 658205765 /nfs/dbraw/zinc/20/57/65/658205765.db2.gz PXAZERLXYYUJCI-NEPJUHHUSA-N 2 0 267.373 -0.177 20 0 CBADRP CC[C@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[N@@H+]1CCOC ZINC000923321218 658208041 /nfs/dbraw/zinc/20/80/41/658208041.db2.gz DMAHNKDMKJAHRS-XUXIUFHCSA-N 2 0 271.405 -0.120 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000923324002 658209400 /nfs/dbraw/zinc/20/94/00/658209400.db2.gz NZBILXJDRIFHJV-IHRRRGAJSA-N 2 0 296.415 -0.923 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1C ZINC000923322375 658209820 /nfs/dbraw/zinc/20/98/20/658209820.db2.gz KRGJGRANZFEFDV-MELADBBJSA-N 2 0 283.416 -0.248 20 0 CBADRP CC[C@H](O)C[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000923331799 658213896 /nfs/dbraw/zinc/21/38/96/658213896.db2.gz GJIBBURKXXZKEV-NEPJUHHUSA-N 2 0 255.362 -0.347 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000923329692 658215222 /nfs/dbraw/zinc/21/52/22/658215222.db2.gz XIEOLCCIOBMCKA-MELADBBJSA-N 2 0 299.415 -0.426 20 0 CBADRP Cn1cc(N2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)cn1 ZINC000923324968 658215550 /nfs/dbraw/zinc/21/55/50/658215550.db2.gz OESCZIDXLZNXIC-AWEZNQCLSA-N 2 0 291.399 -0.079 20 0 CBADRP CCOCCOCC[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000923333274 658217436 /nfs/dbraw/zinc/21/74/36/658217436.db2.gz PZEJUTBDNPISRA-AWEZNQCLSA-N 2 0 299.415 -0.064 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000923346904 658221231 /nfs/dbraw/zinc/22/12/31/658221231.db2.gz XNPQHCCHJNXAHZ-NWDGAFQWSA-N 2 0 273.377 -0.687 20 0 CBADRP CCOC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000923347191 658222105 /nfs/dbraw/zinc/22/21/05/658222105.db2.gz ZORDHYROHYQCIK-OLZOCXBDSA-N 2 0 287.404 -0.297 20 0 CBADRP C[C@@H](NC(C[NH3+])C[NH3+])C(=O)NCC1CCCCC1 ZINC000923353604 658226735 /nfs/dbraw/zinc/22/67/35/658226735.db2.gz YSFJVGJFRHNUTE-SNVBAGLBSA-N 2 0 256.394 -0.053 20 0 CBADRP Cn1ccnc1[C@@H]1C[NH2+]CCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923357112 658227664 /nfs/dbraw/zinc/22/76/64/658227664.db2.gz WMILPBXXDBRHLR-OLZOCXBDSA-N 2 0 291.399 -0.255 20 0 CBADRP O[C@@H](Cn1cccn1)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000923359002 658230614 /nfs/dbraw/zinc/23/06/14/658230614.db2.gz NVMRXHCORWOFSW-JHJVBQTASA-N 2 0 250.346 -0.072 20 0 CBADRP CSC[C@H](O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923366235 658236235 /nfs/dbraw/zinc/23/62/35/658236235.db2.gz IGXNHQLJPPQGRO-NWDGAFQWSA-N 2 0 259.419 -0.310 20 0 CBADRP C[N@H+](C[C@H](O)COC[C@@H]1CCCO1)C1CC([NH3+])C1 ZINC000923363665 658236368 /nfs/dbraw/zinc/23/63/68/658236368.db2.gz XINMYCFVTBONLB-TYUFSLCMSA-N 2 0 258.362 -0.036 20 0 CBADRP CNC(=O)CCC[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923371727 658241204 /nfs/dbraw/zinc/24/12/04/658241204.db2.gz SSRMCARMMGDSAI-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP COC(=O)N(C)CC[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923387353 658251120 /nfs/dbraw/zinc/25/11/20/658251120.db2.gz DCTXAZXJTUVMAC-LLVKDONJSA-N 2 0 271.361 -0.005 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN[C@@H]1CC[NH2+]C12CCC2 ZINC000923399388 658253712 /nfs/dbraw/zinc/25/37/12/658253712.db2.gz PCFXOSJJSJSYRX-QWHCGFSZSA-N 2 0 271.405 -0.200 20 0 CBADRP CN1C(=O)[C@H]2C[N@H+](CCC[NH2+]C3CC3)C[C@H]2C1=O ZINC000923412782 658271772 /nfs/dbraw/zinc/27/17/72/658271772.db2.gz BBFQRPNXWKMKFL-PHIMTYICSA-N 2 0 251.330 -0.325 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923427778 658272779 /nfs/dbraw/zinc/27/27/79/658272779.db2.gz VUMWRPGAQGJYQI-YNEHKIRRSA-N 3 0 251.374 -0.094 20 0 CBADRP O=C1NCC[C@@H]2CCC[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)[C@H]12 ZINC000923426214 658273129 /nfs/dbraw/zinc/27/31/29/658273129.db2.gz LSJCVHPCCNSARE-XQQFMLRXSA-N 2 0 279.384 -0.035 20 0 CBADRP Cn1nnnc1CC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923447470 658282402 /nfs/dbraw/zinc/28/24/02/658282402.db2.gz UGQOPVSAWGXCAO-NSHDSACASA-N 2 0 280.376 -0.418 20 0 CBADRP CCOCCNC(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449538 658284622 /nfs/dbraw/zinc/28/46/22/658284622.db2.gz OVDNSEXCFKOBBR-CYBMUJFWSA-N 2 0 299.415 -0.031 20 0 CBADRP CC1(C)NC(=O)N(CCCN2CC[NH2+]CC[NH2+]CC2)C1=O ZINC000923460220 658290048 /nfs/dbraw/zinc/29/00/48/658290048.db2.gz DPQBLQNMFQKYSO-UHFFFAOYSA-N 2 0 297.403 -0.798 20 0 CBADRP CC(C)COC[C@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923461323 658292159 /nfs/dbraw/zinc/29/21/59/658292159.db2.gz VXMQFUNYIWRQFV-CYBMUJFWSA-N 2 0 259.394 -0.485 20 0 CBADRP Cc1csc(=O)n1CCN1CC[NH2+]CC[NH2+]CC1 ZINC000923462948 658293080 /nfs/dbraw/zinc/29/30/80/658293080.db2.gz AUJZQTNFXRUGOK-UHFFFAOYSA-N 2 0 270.402 -0.287 20 0 CBADRP CC(C)COC[C@@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923461326 658293703 /nfs/dbraw/zinc/29/37/03/658293703.db2.gz VXMQFUNYIWRQFV-ZDUSSCGKSA-N 2 0 259.394 -0.485 20 0 CBADRP C[C@H](c1nc(N)nc(N(C)C)n1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923459695 658294252 /nfs/dbraw/zinc/29/42/52/658294252.db2.gz LQEULNDYASRDIC-SNVBAGLBSA-N 2 0 294.407 -0.924 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@]([NH3+])(CO)C1 ZINC000923472248 658295366 /nfs/dbraw/zinc/29/53/66/658295366.db2.gz JBRSMIZZDIUOKI-JYJNAYRXSA-N 2 0 293.411 -0.297 20 0 CBADRP c1ccc(-n2nnnc2CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923464877 658296428 /nfs/dbraw/zinc/29/64/28/658296428.db2.gz UMDLBKNWCNKRNH-UHFFFAOYSA-N 2 0 287.371 -0.343 20 0 CBADRP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@@H](CC[NH3+])C2)C1=O ZINC000923482277 658302290 /nfs/dbraw/zinc/30/22/90/658302290.db2.gz YGNCOEYFXMMMDC-NEPJUHHUSA-N 2 0 283.372 -0.179 20 0 CBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923490706 658306361 /nfs/dbraw/zinc/30/63/61/658306361.db2.gz FHEGYGZEIGASPQ-YNEHKIRRSA-N 2 0 260.378 -0.073 20 0 CBADRP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923498687 658307034 /nfs/dbraw/zinc/30/70/34/658307034.db2.gz JBJUPRDMGFCQOL-STQMWFEESA-N 2 0 298.431 -0.112 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500242 658309511 /nfs/dbraw/zinc/30/95/11/658309511.db2.gz VWVWVCANGSITGL-ZJUUUORDSA-N 2 0 256.350 -0.251 20 0 CBADRP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923503965 658310948 /nfs/dbraw/zinc/31/09/48/658310948.db2.gz MYENMLZMRLGOGK-UWVGGRQHSA-N 2 0 256.350 -0.251 20 0 CBADRP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC000923502868 658311105 /nfs/dbraw/zinc/31/11/05/658311105.db2.gz ZOANEKYRSMJFNA-CHWSQXEVSA-N 3 0 268.405 -0.275 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923502930 658311722 /nfs/dbraw/zinc/31/17/22/658311722.db2.gz FCULKTXZZHEACX-GUBZILKMSA-N 2 0 256.350 -0.253 20 0 CBADRP [NH3+]C[C@@H]1CCCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923568282 658330626 /nfs/dbraw/zinc/33/06/26/658330626.db2.gz WZESCQPRKYALFZ-QWRGUYRKSA-N 2 0 261.391 -0.261 20 0 CBADRP C[C@H]([NH3+])C1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923569809 658332459 /nfs/dbraw/zinc/33/24/59/658332459.db2.gz GEUOORYFZGJZPF-JTQLQIEISA-N 2 0 276.406 -0.804 20 0 CBADRP O=S(=O)(NCC[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000923567542 658332794 /nfs/dbraw/zinc/33/27/94/658332794.db2.gz BHWBHKWHSAUBSX-MNOVXSKESA-N 2 0 261.391 -0.343 20 0 CBADRP [NH3+]C[C@@H](NS(=O)(=O)C1C[NH2+]C1)C1CCCCC1 ZINC000923569856 658333147 /nfs/dbraw/zinc/33/31/47/658333147.db2.gz QPBGDEUWNYZXEB-LLVKDONJSA-N 2 0 261.391 -0.215 20 0 CBADRP CC[NH2+]CC1CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923575736 658336187 /nfs/dbraw/zinc/33/61/87/658336187.db2.gz ZZSAIXUILKEVCY-UHFFFAOYSA-N 2 0 261.391 -0.391 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNS(=O)(=O)C2C[NH2+]C2)C1 ZINC000923588712 658341458 /nfs/dbraw/zinc/34/14/58/658341458.db2.gz HXAWSTZFNUJRMY-SNVBAGLBSA-N 2 0 261.391 -0.391 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)C1C[NH2+]C1 ZINC000923608544 658350233 /nfs/dbraw/zinc/35/02/33/658350233.db2.gz UDXPPLOZAJRTDM-JTQLQIEISA-N 2 0 261.391 -0.248 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923627661 658360321 /nfs/dbraw/zinc/36/03/21/658360321.db2.gz LCWUNNFKAGDHHZ-CMPLNLGQSA-N 2 0 288.417 -0.791 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923627667 658361347 /nfs/dbraw/zinc/36/13/47/658361347.db2.gz LCWUNNFKAGDHHZ-PWSUYJOCSA-N 2 0 288.417 -0.791 20 0 CBADRP CC1([NH3+])CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923634507 658367130 /nfs/dbraw/zinc/36/71/30/658367130.db2.gz OVCHRVXYWHQFTE-SNVBAGLBSA-N 2 0 261.391 -0.119 20 0 CBADRP CCO[C@@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000923651931 658375771 /nfs/dbraw/zinc/37/57/71/658375771.db2.gz ITTKXXGGIGCWBC-IJLUTSLNSA-N 2 0 291.417 -0.636 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923649638 658376137 /nfs/dbraw/zinc/37/61/37/658376137.db2.gz BENNJXZSUULXAE-HBNTYKKESA-N 2 0 261.391 -0.072 20 0 CBADRP CC1(C)C[NH2+]CC[C@H](NS(=O)(=O)C2C[NH2+]C2)C1 ZINC000923667929 658390670 /nfs/dbraw/zinc/39/06/70/658390670.db2.gz PQNZWMPFALXPDU-VIFPVBQESA-N 2 0 261.391 -0.344 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)CCO1 ZINC000923659935 658386392 /nfs/dbraw/zinc/38/63/92/658386392.db2.gz QMSLYHXUPZUKNU-LLVKDONJSA-N 2 0 291.417 -0.669 20 0 CBADRP C[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)CCN1c1cc[nH+]cc1 ZINC000923671575 658391960 /nfs/dbraw/zinc/39/19/60/658391960.db2.gz MGEUUGFEAYVKQB-NSHDSACASA-N 2 0 296.396 -0.106 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000923697994 658407075 /nfs/dbraw/zinc/40/70/75/658407075.db2.gz BFTXEEYEVOYGBW-UTUOFQBUSA-N 2 0 275.418 -0.015 20 0 CBADRP C[NH+](C)C[C@@H]1NC(=O)N(C[C@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000924485679 658606458 /nfs/dbraw/zinc/60/64/58/658606458.db2.gz MIPWFKBODKXKSM-JQWIXIFHSA-N 2 0 280.372 -0.047 20 0 CBADRP COCC[N@@H+]1CC[C@@H](N2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000924598140 658618486 /nfs/dbraw/zinc/61/84/86/658618486.db2.gz DFGKXOSOPCLKAS-GHMZBOCLSA-N 2 0 284.360 -0.811 20 0 CBADRP C[NH+](C)C[C@H]1NC(=O)N([C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000924886762 658652564 /nfs/dbraw/zinc/65/25/64/658652564.db2.gz PCFNAIGFERYPAU-GHMZBOCLSA-N 2 0 266.345 -0.295 20 0 CBADRP O=C(NC[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958591002 658667411 /nfs/dbraw/zinc/66/74/11/658667411.db2.gz DYQAVZPXAVXBTA-KBPBESRZSA-N 2 0 293.411 -0.099 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1C(=O)NCC1(C)C)N1CC[NH+](C)CC1 ZINC000924962603 658673097 /nfs/dbraw/zinc/67/30/97/658673097.db2.gz UDRXWQYWIHNQFS-NWDGAFQWSA-N 2 0 268.405 -0.264 20 0 CBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2C)n1 ZINC000924978973 658685538 /nfs/dbraw/zinc/68/55/38/658685538.db2.gz LZEIPODIEFEKET-NEPJUHHUSA-N 2 0 295.387 -0.761 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2C)cn1 ZINC000924978031 658686128 /nfs/dbraw/zinc/68/61/28/658686128.db2.gz HXESJMZLEIDTNM-CHWSQXEVSA-N 2 0 295.387 -0.761 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2C)cn1 ZINC000924978036 658686309 /nfs/dbraw/zinc/68/63/09/658686309.db2.gz HXESJMZLEIDTNM-QWHCGFSZSA-N 2 0 295.387 -0.761 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000925098793 658807010 /nfs/dbraw/zinc/80/70/10/658807010.db2.gz VGCXNUMGXOULRB-NXEZZACHSA-N 2 0 254.334 -0.437 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)C12CCC[NH+]1CCC2 ZINC000960790183 658807692 /nfs/dbraw/zinc/80/76/92/658807692.db2.gz LINJPFCCRUDFCY-ITGUQSILSA-N 2 0 279.384 -0.347 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)c1ccn2c[nH+]cc2c1 ZINC000960837530 658809238 /nfs/dbraw/zinc/80/92/38/658809238.db2.gz LSPYNDDWXKWLPU-WDNDVIMCSA-N 2 0 286.335 -0.013 20 0 CBADRP C[NH+](C)C[C@H]1NC(=O)N(C[C@H]2CCC[N@@H+]2C)C1=O ZINC000925288042 658816224 /nfs/dbraw/zinc/81/62/24/658816224.db2.gz BGUPODHBWRYEON-NXEZZACHSA-N 2 0 254.334 -0.437 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000961358071 658819175 /nfs/dbraw/zinc/81/91/75/658819175.db2.gz MQHHMCKTUBNLCY-CBBWQLFWSA-N 2 0 293.411 -0.101 20 0 CBADRP C[C@@H]1[C@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@@H+]1C ZINC000925346769 658832658 /nfs/dbraw/zinc/83/26/58/658832658.db2.gz VTQBGVDFIAZQQN-GRYCIOLGSA-N 2 0 270.377 -0.555 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000961765685 658833106 /nfs/dbraw/zinc/83/31/06/658833106.db2.gz RITJPAHYDIOTDB-NMKXLXIOSA-N 2 0 267.373 -0.633 20 0 CBADRP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[C@H](O)C[NH+]2C)CC[N@@H+]1C ZINC000925357664 658834807 /nfs/dbraw/zinc/83/48/07/658834807.db2.gz WYNRNWIAUNISPY-WISYIIOYSA-N 2 0 270.377 -0.557 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000925424159 658844948 /nfs/dbraw/zinc/84/49/48/658844948.db2.gz KUPCNEAXACTCND-STQMWFEESA-N 2 0 284.404 -0.164 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000925424509 658847617 /nfs/dbraw/zinc/84/76/17/658847617.db2.gz MGCKHMRJDDZEHS-OLZOCXBDSA-N 2 0 284.404 -0.164 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000925428668 658849690 /nfs/dbraw/zinc/84/96/90/658849690.db2.gz DISSLZPDOXFFTH-OLZOCXBDSA-N 2 0 284.404 -0.164 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000925429031 658849985 /nfs/dbraw/zinc/84/99/85/658849985.db2.gz ILHBOGUHHRNIIN-SDDRHHMPSA-N 2 0 268.361 -0.849 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000925434634 658854036 /nfs/dbraw/zinc/85/40/36/658854036.db2.gz LPGZCDCYQACACA-KBPBESRZSA-N 2 0 296.415 -0.069 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925477736 658855528 /nfs/dbraw/zinc/85/55/28/658855528.db2.gz LTEGOIMFODSLIJ-OLZOCXBDSA-N 2 0 257.378 -0.325 20 0 CBADRP C[C@@H](CN[C@H]1C[NH2+]CCOC1)C[NH+]1CCN(C)CC1 ZINC000925491720 658856667 /nfs/dbraw/zinc/85/66/67/658856667.db2.gz QYRGKGGBEXRYRX-KBPBESRZSA-N 2 0 270.421 -0.552 20 0 CBADRP CCN1CC[NH+](C[C@H](C)CN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925488760 658856770 /nfs/dbraw/zinc/85/67/70/658856770.db2.gz GIJKNYIOJXNERS-CABCVRRESA-N 2 0 284.448 -0.162 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925513567 658857096 /nfs/dbraw/zinc/85/70/96/658857096.db2.gz KBPZBPGJCIRRHH-ZIAGYGMSSA-N 2 0 271.405 -0.079 20 0 CBADRP OC1CC[NH+](CCCN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925506710 658857291 /nfs/dbraw/zinc/85/72/91/658857291.db2.gz XYGYJIHHOBBKMG-LBPRGKRZSA-N 2 0 257.378 -0.589 20 0 CBADRP O[C@@H](CN[C@@H]1C[NH2+]CCOC1)C[NH+]1CCCCC1 ZINC000925613503 658861995 /nfs/dbraw/zinc/86/19/95/658861995.db2.gz RVDJWMQVKZEYFF-OLZOCXBDSA-N 2 0 257.378 -0.589 20 0 CBADRP OCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925681161 658865787 /nfs/dbraw/zinc/86/57/87/658865787.db2.gz SYRBXSNTMJYPLM-CHWSQXEVSA-N 2 0 257.378 -0.589 20 0 CBADRP C[NH2+]CCOCC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925717193 658866949 /nfs/dbraw/zinc/86/69/49/658866949.db2.gz AKOCJWGTPNZXIY-MPZDIEGVSA-N 3 0 257.378 -0.436 20 0 CBADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]CCN1CC[C@@H](O)C1 ZINC000925717107 658867008 /nfs/dbraw/zinc/86/70/08/658867008.db2.gz IOBOTCMEOLLNSH-MBJXGIAVSA-N 2 0 269.389 -0.605 20 0 CBADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2[C@@H]3COC[C@H]2C[C@H]([NH3+])C3)C1 ZINC000925701504 658867200 /nfs/dbraw/zinc/86/72/00/658867200.db2.gz ALXRXRWBBIATSB-DQLHAQMESA-N 2 0 253.346 -0.408 20 0 CBADRP c1cc(O[C@H]2CC[NH2+]C2)cc(CN[C@@H]2C[NH2+]CCOC2)n1 ZINC000925708543 658867211 /nfs/dbraw/zinc/86/72/11/658867211.db2.gz RJVLBKCNZQLMPM-HIFRSBDPSA-N 2 0 292.383 -0.100 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925724668 658868183 /nfs/dbraw/zinc/86/81/83/658868183.db2.gz LMTMDNYEAJJBNJ-NWDGAFQWSA-N 2 0 257.378 -0.590 20 0 CBADRP NC(=O)C1CC([NH2+][C@H]2[C@@H]3COC[C@H]2C[C@H]([NH3+])C3)C1 ZINC000925726920 658868761 /nfs/dbraw/zinc/86/87/61/658868761.db2.gz ALXRXRWBBIATSB-OWIZIEHOSA-N 2 0 253.346 -0.408 20 0 CBADRP [NH3+][C@@H]1CCN(c2cccc(CN[C@H]3C[NH2+]CCOC3)n2)C1 ZINC000925729581 658868809 /nfs/dbraw/zinc/86/88/09/658868809.db2.gz JIXSPYOCAKSBRG-OCCSQVGLSA-N 2 0 291.399 -0.303 20 0 CBADRP O[C@H]1CC[N@H+](CCN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925725438 658868813 /nfs/dbraw/zinc/86/88/13/658868813.db2.gz TZYVLVIKNFDFLI-VZKILSJISA-N 2 0 251.374 -0.361 20 0 CBADRP C(C[N@@H+]1CCC[C@@H](N[C@@H]2CC[NH2+]C2)C1)N1CCOCC1 ZINC000925769669 658870806 /nfs/dbraw/zinc/87/08/06/658870806.db2.gz QJASUQXOMGYIOX-HUUCEWRRSA-N 2 0 282.432 -0.266 20 0 CBADRP C1CC2(CCO1)C[NH2+]C[C@@H](N[C@H]1C[NH2+]CCOC1)C2 ZINC000925797797 658872960 /nfs/dbraw/zinc/87/29/60/658872960.db2.gz OJZUORTYRWZDEJ-STQMWFEESA-N 2 0 269.389 -0.277 20 0 CBADRP C1CC2(CCO1)C[NH2+]C[C@H](N[C@H]1C[NH2+]CCOC1)C2 ZINC000925797795 658873161 /nfs/dbraw/zinc/87/31/61/658873161.db2.gz OJZUORTYRWZDEJ-OLZOCXBDSA-N 2 0 269.389 -0.277 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC2[C@@H]3CC[C@H]2C[NH+](C)C3)C1 ZINC000926174929 658888299 /nfs/dbraw/zinc/88/82/99/658888299.db2.gz TVYNIXXFIHOXCQ-QNMSZWNNSA-N 2 0 253.390 -0.017 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926292995 658890015 /nfs/dbraw/zinc/89/00/15/658890015.db2.gz JABIDTVLWKKIRL-NWDGAFQWSA-N 2 0 282.388 -0.926 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C[C@H]1[NH3+] ZINC000926311775 658892254 /nfs/dbraw/zinc/89/22/54/658892254.db2.gz GPWCBQCCVZQFTE-FRRDWIJNSA-N 2 0 296.415 -0.408 20 0 CBADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000926329914 658892989 /nfs/dbraw/zinc/89/29/89/658892989.db2.gz HUFLZCLCSNJGQM-NWDGAFQWSA-N 2 0 282.388 -0.654 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000926326680 658893291 /nfs/dbraw/zinc/89/32/91/658893291.db2.gz SPDQKTBMSOQHGZ-STQMWFEESA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)C[C@H]1[NH3+] ZINC000926337959 658894044 /nfs/dbraw/zinc/89/40/44/658894044.db2.gz UCSLYROOHNFELN-YVECIDJPSA-N 2 0 294.399 -0.513 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1[NH3+] ZINC000926345483 658895768 /nfs/dbraw/zinc/89/57/68/658895768.db2.gz CPQZYXUGKQMJKE-FVCCEPFGSA-N 2 0 294.399 -0.513 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H]1[NH3+] ZINC000926347956 658895935 /nfs/dbraw/zinc/89/59/35/658895935.db2.gz PSNCRSNCFRDBQO-FDYHWXHSSA-N 2 0 296.415 -0.267 20 0 CBADRP C[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cnnn1C ZINC000926747402 658912629 /nfs/dbraw/zinc/91/26/29/658912629.db2.gz AXRPUGMJHKCELG-MNOVXSKESA-N 2 0 280.376 -0.195 20 0 CBADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCN1CC[C@@H](O)C1 ZINC000926766151 658913910 /nfs/dbraw/zinc/91/39/10/658913910.db2.gz ABEDCRXLHRJKMB-RBKKPWLPSA-N 2 0 253.390 -0.017 20 0 CBADRP C[C@@H]1CC[N@H+](CCO)C[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000968549655 658931058 /nfs/dbraw/zinc/93/10/58/658931058.db2.gz VMQBPKMBGOGHRC-OLZOCXBDSA-N 2 0 281.400 -0.099 20 0 CBADRP C[C@H]1CC[N@H+](CCO)C[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000968549657 658931936 /nfs/dbraw/zinc/93/19/36/658931936.db2.gz VMQBPKMBGOGHRC-STQMWFEESA-N 2 0 281.400 -0.099 20 0 CBADRP O=C([C@H]1CCn2cncc2C1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969124165 658950791 /nfs/dbraw/zinc/95/07/91/658950791.db2.gz ACWADILWNGOQLG-NWDGAFQWSA-N 2 0 278.356 -0.372 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000969458748 658991939 /nfs/dbraw/zinc/99/19/39/658991939.db2.gz YERQOJJCHWMYSG-TZMCWYRMSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC000969722886 659013053 /nfs/dbraw/zinc/01/30/53/659013053.db2.gz UERYVYAHHWAQDQ-ZDEQEGDKSA-N 2 0 296.415 -0.219 20 0 CBADRP O=C(C[NH2+][C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1)N1CCC1 ZINC000970098698 659034419 /nfs/dbraw/zinc/03/44/19/659034419.db2.gz WXJILEYAJWIQBN-LLVKDONJSA-N 2 0 291.355 -0.625 20 0 CBADRP C[C@H](C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1)[NH+]1CCCCCC1 ZINC000970172657 659036328 /nfs/dbraw/zinc/03/63/28/659036328.db2.gz RWPWQQHEGLCXEP-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP O=C(N1CC[C@@H]([NH2+]CCO)C1)C12CC[NH+](CC1)C2 ZINC000970493911 659059752 /nfs/dbraw/zinc/05/97/52/659059752.db2.gz GXAJCCDNUZRKCW-LLVKDONJSA-N 2 0 253.346 -0.735 20 0 CBADRP O=C(N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC000970490375 659059918 /nfs/dbraw/zinc/05/99/18/659059918.db2.gz QKAVQZHFWJLIMJ-NEPJUHHUSA-N 2 0 292.383 -0.839 20 0 CBADRP C[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972735225 659127164 /nfs/dbraw/zinc/12/71/64/659127164.db2.gz KHZUSSQNFVDYGI-QWHCGFSZSA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972734897 659127180 /nfs/dbraw/zinc/12/71/80/659127180.db2.gz HCYCXWIRAVZMIC-NEPJUHHUSA-N 2 0 294.399 -0.511 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)C3(O)CCC3)CC2)C1 ZINC000929980429 659189877 /nfs/dbraw/zinc/18/98/77/659189877.db2.gz KISYZHYFUIVELP-GJZGRUSLSA-N 2 0 297.443 -0.026 20 0 CBADRP C[C@@H](O)[C@H](O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000930113125 659210720 /nfs/dbraw/zinc/21/07/20/659210720.db2.gz CNIJVIFUTJCZCA-TZMCWYRMSA-N 2 0 273.421 -0.314 20 0 CBADRP C[C@H](O)[C@H](O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000930136962 659218548 /nfs/dbraw/zinc/21/85/48/659218548.db2.gz PXFASIQTHJUFAS-CBBWQLFWSA-N 2 0 285.432 -0.314 20 0 CBADRP C[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980404866 659270957 /nfs/dbraw/zinc/27/09/57/659270957.db2.gz DNCYDZHMDZXTPD-STQMWFEESA-N 2 0 269.389 -0.004 20 0 CBADRP COC(=O)[C@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CC[N@H+](C)C1 ZINC000930713938 659327819 /nfs/dbraw/zinc/32/78/19/659327819.db2.gz QWAHWUBZFDSDGP-KGLIPLIRSA-N 2 0 299.415 -0.520 20 0 CBADRP COC(=O)[C@H]1CN(C[C@H](O)C[NH+]2CCCC2)CC[N@H+](C)C1 ZINC000930713940 659328043 /nfs/dbraw/zinc/32/80/43/659328043.db2.gz QWAHWUBZFDSDGP-ZIAGYGMSSA-N 2 0 299.415 -0.520 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCNC3=O)C2)C1 ZINC000985120643 659373192 /nfs/dbraw/zinc/37/31/92/659373192.db2.gz WOBYIJTWFKLVPW-LPWJVIDDSA-N 2 0 294.399 -0.689 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH+](C)CC(N)=O)CC1 ZINC000985653904 659394310 /nfs/dbraw/zinc/39/43/10/659394310.db2.gz NADWUZHAGLLCEH-YPMHNXCESA-N 2 0 296.415 -0.408 20 0 CBADRP C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000986352348 659446169 /nfs/dbraw/zinc/44/61/69/659446169.db2.gz GKTQQMBSSUWIHX-ZYHUDNBSSA-N 2 0 282.388 -0.465 20 0 CBADRP C[NH+]1CCN(C2CC[NH+](C[C@H](O)C3(O)CCC3)CC2)CC1 ZINC000931548131 659484926 /nfs/dbraw/zinc/48/49/26/659484926.db2.gz GLGAFMGGKFNBHD-HNNXBMFYSA-N 2 0 297.443 -0.026 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000986959307 659485708 /nfs/dbraw/zinc/48/57/08/659485708.db2.gz PBSNYPYSXSMDIV-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@H](O)CO ZINC000931763059 659523467 /nfs/dbraw/zinc/52/34/67/659523467.db2.gz DSYRZLRKDZBZFO-YPMHNXCESA-N 2 0 251.330 -0.055 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CCO)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989407040 659585992 /nfs/dbraw/zinc/58/59/92/659585992.db2.gz MVZOUDGUKCMIOI-DGCLKSJQSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CCO)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989407041 659586402 /nfs/dbraw/zinc/58/64/02/659586402.db2.gz MVZOUDGUKCMIOI-WCQYABFASA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CC1CC[NH+](C)CC1 ZINC000989520557 659591422 /nfs/dbraw/zinc/59/14/22/659591422.db2.gz VDVQNJUOYXNOIH-AAEUAGOBSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[NH+](CCCO)CC2)C1 ZINC000989665278 659606328 /nfs/dbraw/zinc/60/63/28/659606328.db2.gz CUOWYKIQTZURMD-ZDUSSCGKSA-N 2 0 269.389 -0.145 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCO)CC1 ZINC000990276317 659710983 /nfs/dbraw/zinc/71/09/83/659710983.db2.gz GYUMYSKJVDRYJN-GFCCVEGCSA-N 2 0 255.362 -0.347 20 0 CBADRP C[N@@H+]1C[C@@H]2C[NH+](CCCC(=O)NC(N)=O)C[C@]2(C)C1 ZINC000933742797 659736659 /nfs/dbraw/zinc/73/66/59/659736659.db2.gz SUPJSQGEFYVWJX-MFKMUULPSA-N 2 0 268.361 -0.155 20 0 CBADRP C[NH+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000990508398 659751971 /nfs/dbraw/zinc/75/19/71/659751971.db2.gz MCOJCINPWYMNAE-QWHCGFSZSA-N 2 0 294.399 -0.498 20 0 CBADRP C[NH+](C)CCOCCNC(=O)COC1CC[NH+](C)CC1 ZINC000935259099 659826001 /nfs/dbraw/zinc/82/60/01/659826001.db2.gz BSNPCMNBHODVMI-UHFFFAOYSA-N 2 0 287.404 -0.208 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000935976821 659848330 /nfs/dbraw/zinc/84/83/30/659848330.db2.gz NQXFAEPJXINQKK-ZDEQEGDKSA-N 2 0 298.431 -0.245 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000935980290 659848720 /nfs/dbraw/zinc/84/87/20/659848720.db2.gz HHSVJOFOHAQMCO-NEPJUHHUSA-N 2 0 257.378 -0.102 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000935980293 659848846 /nfs/dbraw/zinc/84/88/46/659848846.db2.gz HHSVJOFOHAQMCO-VXGBXAGGSA-N 2 0 257.378 -0.102 20 0 CBADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]CCO ZINC000939423540 659889374 /nfs/dbraw/zinc/88/93/74/659889374.db2.gz RGLBANKBZBNCNJ-TZMCWYRMSA-N 2 0 299.415 -0.474 20 0 CBADRP C[N@H+](CC(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1)C1CCC1 ZINC000995900878 659910666 /nfs/dbraw/zinc/91/06/66/659910666.db2.gz AMFCAGWRSZZMCZ-LBPRGKRZSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)C1(C(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)CCC1 ZINC000995889931 659910805 /nfs/dbraw/zinc/91/08/05/659910805.db2.gz XCAXMPQDIYIXSX-NSHDSACASA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000995986599 659921053 /nfs/dbraw/zinc/92/10/53/659921053.db2.gz YXWDXHDIFHWHQU-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]1C[N@H+](CCO)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944167970 659934250 /nfs/dbraw/zinc/93/42/50/659934250.db2.gz HECIMKRMHSUKHE-QWHCGFSZSA-N 2 0 281.400 -0.099 20 0 CBADRP C[C@H]1C[N@H+](CCO)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944944534 659938825 /nfs/dbraw/zinc/93/88/25/659938825.db2.gz NANAKMZPWYXGSF-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP c1nc2c(c(N3CCN4CC[NH2+]C[C@@H]4C3)n1)CC[NH2+]CC2 ZINC001164391907 718828801 /nfs/dbraw/zinc/82/88/01/718828801.db2.gz MEWJBWWWXNWIII-GFCCVEGCSA-N 2 0 288.399 -0.741 20 0 CBADRP Cc1nc(N2CCN3CC[NH2+]C[C@H]3C2)cc(N(C)C)[nH+]1 ZINC001164392934 718829619 /nfs/dbraw/zinc/82/96/19/718829619.db2.gz SNHYGZMLMHERBK-LBPRGKRZSA-N 2 0 276.388 -0.055 20 0 CBADRP c1nc(N2CCN3CC[NH2+]C[C@@H]3C2)nc2c1C[NH2+]C2 ZINC001164399485 718833704 /nfs/dbraw/zinc/83/37/04/718833704.db2.gz XWMYIIFEDSMGAM-LLVKDONJSA-N 2 0 260.345 -0.826 20 0 CBADRP c1c2c(nnc1N1CCN3CC[NH2+]C[C@H]3C1)CC[NH2+]C2 ZINC001164399178 718836643 /nfs/dbraw/zinc/83/66/43/718836643.db2.gz PVOAWOVULXWXIQ-LBPRGKRZSA-N 2 0 274.372 -0.784 20 0 CBADRP Cc1cnc(N2CCN3CC[NH2+]C[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001164400342 718844495 /nfs/dbraw/zinc/84/44/95/718844495.db2.gz XDLWBGODSMINEZ-CYBMUJFWSA-N 2 0 288.399 -0.434 20 0 CBADRP C[N@@H+]1CCO[C@@H]2CN(c3ncnc4c3CC[NH2+]CC4)C[C@H]21 ZINC001164666298 719370585 /nfs/dbraw/zinc/37/05/85/719370585.db2.gz DRBVEVYVRLBQCL-ZIAGYGMSSA-N 2 0 289.383 -0.316 20 0 CBADRP C[N@@H+]1CCO[C@H]2CN(c3ncnc4c3CC[NH2+]C4)C[C@H]21 ZINC001164672579 719380921 /nfs/dbraw/zinc/38/09/21/719380921.db2.gz YPTMQXDUMUXSHM-OLZOCXBDSA-N 2 0 275.356 -0.359 20 0 CBADRP C[N@@H+]1CCO[C@H]2CN(c3ncc4c(n3)C[NH2+]C4)C[C@@H]21 ZINC001164669302 719392823 /nfs/dbraw/zinc/39/28/23/719392823.db2.gz UQWDXODHOLNGHW-RYUDHWBXSA-N 2 0 261.329 -0.401 20 0 CBADRP C[N@@H+]1CCO[C@@H]2CN(c3cc4c(nn3)CC[NH2+]C4)C[C@@H]21 ZINC001164666969 719410834 /nfs/dbraw/zinc/41/08/34/719410834.db2.gz DYZZYYQEHUYBMT-QWHCGFSZSA-N 2 0 275.356 -0.359 20 0 CBADRP C[N@@H+]1CCO[C@H]2CN(c3cc4c(nn3)CC[NH2+]C4)C[C@H]21 ZINC001164666967 719411230 /nfs/dbraw/zinc/41/12/30/719411230.db2.gz DYZZYYQEHUYBMT-OLZOCXBDSA-N 2 0 275.356 -0.359 20 0 CBADRP C[N@@H+]1CCO[C@H]2CN(c3cc4c(nn3)CC[NH2+]C4)C[C@@H]21 ZINC001164666972 719412107 /nfs/dbraw/zinc/41/21/07/719412107.db2.gz DYZZYYQEHUYBMT-STQMWFEESA-N 2 0 275.356 -0.359 20 0 CBADRP COC[C@@H](C)OC[C@@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000234744623 790439757 /nfs/dbraw/zinc/43/97/57/790439757.db2.gz UZKRVXFBSGSFHX-KGLIPLIRSA-N 2 0 289.420 -0.764 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C[C@H](O)C[N@H+](C)CCOC ZINC000381340199 790518725 /nfs/dbraw/zinc/51/87/25/790518725.db2.gz KJTSVJQOXIBTSX-CHWSQXEVSA-N 2 0 259.394 -0.391 20 0 CBADRP COC1(C(=O)NC[C@H]2CC[N@H+](C)C2)CC[NH2+]CC1 ZINC000385332243 790539608 /nfs/dbraw/zinc/53/96/08/790539608.db2.gz QJDSKXUYUHQMSE-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH2+][C@H]1CCCN(C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000386061930 790543955 /nfs/dbraw/zinc/54/39/55/790543955.db2.gz DQOBIUIXHMUMJI-STQMWFEESA-N 2 0 259.394 -0.391 20 0 CBADRP CS(=O)(=O)NCCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000385603679 790541957 /nfs/dbraw/zinc/54/19/57/790541957.db2.gz MAKUPLNPYBMAPY-NGDQXYMTSA-N 2 0 273.402 -0.488 20 0 CBADRP COC(=O)[C@@H]1CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000386029646 790544887 /nfs/dbraw/zinc/54/48/87/790544887.db2.gz YCCKAKXTXGRNQP-VXGBXAGGSA-N 2 0 256.346 -0.062 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000385937739 790545917 /nfs/dbraw/zinc/54/59/17/790545917.db2.gz LQPSRBZXHKDBLM-XQQFMLRXSA-N 2 0 259.394 -0.392 20 0 CBADRP CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000388248077 790555989 /nfs/dbraw/zinc/55/59/89/790555989.db2.gz GTTGJJUULFNZOV-NWDGAFQWSA-N 2 0 291.417 -0.669 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C[C@@H](O)C[NH+]1CCCC1 ZINC000388372206 790555321 /nfs/dbraw/zinc/55/53/21/790555321.db2.gz JWZJLRTWDLOVCV-CQSZACIVSA-N 2 0 270.421 -0.720 20 0 CBADRP COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000388803348 790557920 /nfs/dbraw/zinc/55/79/20/790557920.db2.gz UJOPYUMRQUJQOS-KGLIPLIRSA-N 2 0 273.421 -0.014 20 0 CBADRP CC(C)OC[C@H](O)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397589489 790593922 /nfs/dbraw/zinc/59/39/22/790593922.db2.gz IWHNLUWJSIXYNX-GFCCVEGCSA-N 2 0 260.378 -0.181 20 0 CBADRP [NH3+]C1(CC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000398084082 790594047 /nfs/dbraw/zinc/59/40/47/790594047.db2.gz PCKFHAFEJAJEBN-WDEREUQCSA-N 2 0 253.346 -0.153 20 0 CBADRP C[NH+]1CCC(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000400273777 790604617 /nfs/dbraw/zinc/60/46/17/790604617.db2.gz ZBAZYQGSCGXFCO-LBPRGKRZSA-N 2 0 275.418 -0.048 20 0 CBADRP CCO[C@@H]1CN(C[C@@H](O)C[N@H+](C)CCOC)C[C@H]1C[NH3+] ZINC000405465711 790618272 /nfs/dbraw/zinc/61/82/72/790618272.db2.gz STWFTLJLRIINBY-HZSPNIEDSA-N 2 0 289.420 -0.779 20 0 CBADRP CCO[C@@H]1CN(C[C@H](O)C[N@H+](C)CCOC)C[C@H]1C[NH3+] ZINC000405465712 790618615 /nfs/dbraw/zinc/61/86/15/790618615.db2.gz STWFTLJLRIINBY-MGPQQGTHSA-N 2 0 289.420 -0.779 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000529390799 790630723 /nfs/dbraw/zinc/63/07/23/790630723.db2.gz WCBMTUCKUAILFC-OCCSQVGLSA-N 2 0 282.388 -0.240 20 0 CBADRP CN(CCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)S(C)(=O)=O ZINC000692415902 790675620 /nfs/dbraw/zinc/67/56/20/790675620.db2.gz FZBYDVATBYLKOB-NWBUJAPZSA-N 2 0 287.429 -0.146 20 0 CBADRP C[C@@]1(C[NH3+])CCN(CCN2CCCS2(=O)=O)C1 ZINC000695043102 790687591 /nfs/dbraw/zinc/68/75/91/790687591.db2.gz WGXFSKHFUUBVJN-NSHDSACASA-N 2 0 261.391 -0.307 20 0 CBADRP C[C@H]1C[N@H+](CCN2C(=O)CNC2=O)CC[C@H]1C[NH3+] ZINC000695399396 790688983 /nfs/dbraw/zinc/68/89/83/790688983.db2.gz JYHPYAFWFCMDJS-UWVGGRQHSA-N 2 0 254.334 -0.545 20 0 CBADRP CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000696231090 790689609 /nfs/dbraw/zinc/68/96/09/790689609.db2.gz XXLDHUJAQGTPCF-VXGBXAGGSA-N 2 0 276.402 -0.270 20 0 CBADRP COCC[N@H+](CCF)CCC(=O)N1CC[NH2+]CC1 ZINC000697275570 790692391 /nfs/dbraw/zinc/69/23/91/790692391.db2.gz YPWWNIYJGUVCDY-UHFFFAOYSA-N 2 0 261.341 -0.274 20 0 CBADRP C[NH+]1CCN(C2C[NH+](CC3CC[NH2+]CC3)C2)CC1 ZINC000700564074 790710879 /nfs/dbraw/zinc/71/08/79/790710879.db2.gz HNITWVGRCCRWPI-UHFFFAOYSA-N 3 0 252.406 -0.082 20 0 CBADRP CC(C)COC[C@H](O)C[NH2+]C[C@]1(O)CCN(C)C1 ZINC000702571150 790721210 /nfs/dbraw/zinc/72/12/10/790721210.db2.gz WLMXCYYAYJWYRA-CHWSQXEVSA-N 2 0 260.378 -0.324 20 0 CBADRP C[N@H+](C[C@H](O)CNC[C@]1(O)CC[NH+](C)C1)C1CC1 ZINC000702561633 790722300 /nfs/dbraw/zinc/72/23/00/790722300.db2.gz JHVGNCRZEOECGV-CHWSQXEVSA-N 2 0 257.378 -0.902 20 0 CBADRP COC[C@]1(C(=O)NCCC[NH+]2CCCC2)C[NH2+]CCO1 ZINC000710786860 790741060 /nfs/dbraw/zinc/74/10/60/790741060.db2.gz ZQFAAALAIIBQNG-AWEZNQCLSA-N 2 0 285.388 -0.407 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)[C@@]3(C)C[NH2+]CCO3)C[C@]2(C)C1 ZINC000710783328 790741586 /nfs/dbraw/zinc/74/15/86/790741586.db2.gz LXXBWZQXFXTMCR-KWCYVHTRSA-N 2 0 267.373 -0.225 20 0 CBADRP C[C@H]1[C@H](NC(=O)c2c(C[NH3+])cnn2C)CC[N@@H+]1C ZINC000719410861 790761147 /nfs/dbraw/zinc/76/11/47/790761147.db2.gz RPILOUGYNOHBIJ-WCBMZHEXSA-N 2 0 251.334 -0.299 20 0 CBADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1C[NH2+]CCO1 ZINC000720889855 790771815 /nfs/dbraw/zinc/77/18/15/790771815.db2.gz QDHVKCXCVVUIOK-IJLUTSLNSA-N 2 0 253.346 -0.330 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720904873 790774127 /nfs/dbraw/zinc/77/41/27/790774127.db2.gz XMABXWJOFKHCOQ-SRVKXCTJSA-N 2 0 254.378 -0.430 20 0 CBADRP CC1CC[NH+](CCNS(=O)(=O)C2C[NH2+]C2)CC1 ZINC000722217910 790788830 /nfs/dbraw/zinc/78/88/30/790788830.db2.gz YXFISEHYXHFHOW-UHFFFAOYSA-N 2 0 261.391 -0.391 20 0 CBADRP O=S(=O)(NCCC[NH+]1CCCCC1)C1C[NH2+]C1 ZINC000722213418 790790134 /nfs/dbraw/zinc/79/01/34/790790134.db2.gz WNGQQMXQXOTREE-UHFFFAOYSA-N 2 0 261.391 -0.246 20 0 CBADRP [NH3+]C1CCC(NS(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000722231753 790791812 /nfs/dbraw/zinc/79/18/12/790791812.db2.gz LPBHDUOYXRFXHO-ILDUYXDCSA-N 2 0 261.391 -0.072 20 0 CBADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000723672682 790802843 /nfs/dbraw/zinc/80/28/43/790802843.db2.gz QRFLDKDEJIZOLB-SECBINFHSA-N 2 0 254.334 -0.355 20 0 CBADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000723672850 790802951 /nfs/dbraw/zinc/80/29/51/790802951.db2.gz SMCKJWBHEMKMJU-RYUDHWBXSA-N 2 0 255.362 -0.048 20 0 CBADRP CO[C@H]1CC[C@H]1[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000724152659 790804898 /nfs/dbraw/zinc/80/48/98/790804898.db2.gz MKAQSXGLIJWZFY-NEPJUHHUSA-N 2 0 255.362 -0.083 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(N)=O)C1 ZINC001021460908 790940885 /nfs/dbraw/zinc/94/08/85/790940885.db2.gz ODNMHWVOEWVTFT-ODWCKFRGSA-N 2 0 294.399 -0.465 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001021897307 790965362 /nfs/dbraw/zinc/96/53/62/790965362.db2.gz HMPQZVSCATUYRI-WHOHXGKFSA-N 2 0 280.372 -0.794 20 0 CBADRP Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001021895256 790965914 /nfs/dbraw/zinc/96/59/14/790965914.db2.gz KCEYODRKCVUDFT-TUAOUCFPSA-N 2 0 292.387 -0.354 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001021897561 790966228 /nfs/dbraw/zinc/96/62/28/790966228.db2.gz MRFUCULHEOQVPX-QNWHQSFQSA-N 2 0 294.399 -0.404 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001022068043 790987151 /nfs/dbraw/zinc/98/71/51/790987151.db2.gz CUIBSZQGWVKMAL-NDBYEHHHSA-N 2 0 296.415 -0.030 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001022076964 790987884 /nfs/dbraw/zinc/98/78/84/790987884.db2.gz GSIYGAMVCAMHEP-WUHRBBMRSA-N 2 0 294.399 -0.417 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(N)=O ZINC001022104046 790989292 /nfs/dbraw/zinc/98/92/92/790989292.db2.gz RLFCDRZKYGTHGM-RNWYCLNJSA-N 2 0 282.388 -0.563 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(N)=O ZINC001022103861 790989427 /nfs/dbraw/zinc/98/94/27/790989427.db2.gz NXYKGGLUUJVEER-UJPOAAIJSA-N 2 0 296.415 -0.173 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(N)=O ZINC001022103857 790989490 /nfs/dbraw/zinc/98/94/90/790989490.db2.gz NXYKGGLUUJVEER-LBELIVKGSA-N 2 0 296.415 -0.173 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001022109721 790991218 /nfs/dbraw/zinc/99/12/18/790991218.db2.gz SHAMTAGBNYDGCH-WHOHXGKFSA-N 2 0 282.388 -0.561 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022166014 790995008 /nfs/dbraw/zinc/99/50/08/790995008.db2.gz JTWZBLWVSHGZBT-GRYCIOLGSA-N 2 0 282.388 -0.417 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022202250 790998409 /nfs/dbraw/zinc/99/84/09/790998409.db2.gz URAJIICQEYTETK-XQQFMLRXSA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001022289963 791002456 /nfs/dbraw/zinc/00/24/56/791002456.db2.gz DIVPEINEQVVBNN-WISYIIOYSA-N 2 0 282.388 -0.419 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001022277471 791002780 /nfs/dbraw/zinc/00/27/80/791002780.db2.gz ANVGSNPIDCSWSI-RNJOBUHISA-N 2 0 294.399 -0.275 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001022289962 791003413 /nfs/dbraw/zinc/00/34/13/791003413.db2.gz DIVPEINEQVVBNN-NNYUYHANSA-N 2 0 282.388 -0.419 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001022361417 791008285 /nfs/dbraw/zinc/00/82/85/791008285.db2.gz ULVNEEPPMWQCIL-PHIMTYICSA-N 2 0 280.372 -0.663 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022584787 791029367 /nfs/dbraw/zinc/02/93/67/791029367.db2.gz FWGILUNLWOOHAQ-RWMBFGLXSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001022715978 791040046 /nfs/dbraw/zinc/04/00/46/791040046.db2.gz OZQFXYJTPGIYSB-ZDEQEGDKSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1)C(N)=O ZINC001022712253 791040291 /nfs/dbraw/zinc/04/02/91/791040291.db2.gz NNWHXSVFUYXVPQ-KKOKHZNYSA-N 2 0 282.388 -0.419 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1)C(N)=O ZINC001022713747 791040551 /nfs/dbraw/zinc/04/05/51/791040551.db2.gz MBXMKESTYLXVPD-WUHRBBMRSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1)C(N)=O ZINC001022714526 791040750 /nfs/dbraw/zinc/04/07/50/791040750.db2.gz WFBQWJIXQBHJQS-KKOKHZNYSA-N 2 0 282.388 -0.561 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077002961 805670369 /nfs/dbraw/zinc/67/03/69/805670369.db2.gz NNJJCJNBYXCWJT-YNEHKIRRSA-N 2 0 267.373 -0.491 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001147892098 814924660 /nfs/dbraw/zinc/92/46/60/814924660.db2.gz HZGNUPPDQHWEGP-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CC3CC3)C[C@H]2O)C1 ZINC001077679036 805767630 /nfs/dbraw/zinc/76/76/30/805767630.db2.gz FIIUKQKOWJCFOW-IACUBPJLSA-N 2 0 281.400 -0.101 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001147886280 814924929 /nfs/dbraw/zinc/92/49/29/814924929.db2.gz SWTYZGBPYVCUQR-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCCF)C[C@H]1O ZINC001077676732 805766813 /nfs/dbraw/zinc/76/68/13/805766813.db2.gz HIOARCNKMKHRGV-JHJVBQTASA-N 2 0 287.379 -0.008 20 0 CBADRP COC[C@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147894175 814925126 /nfs/dbraw/zinc/92/51/26/814925126.db2.gz ZXQQXYUPVGURQC-NSHDSACASA-N 2 0 261.366 -0.695 20 0 CBADRP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001077680513 805769219 /nfs/dbraw/zinc/76/92/19/805769219.db2.gz KOYAXWFXTYOIGW-YNEHKIRRSA-N 2 0 269.389 -0.102 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077818015 805786087 /nfs/dbraw/zinc/78/60/87/805786087.db2.gz FBGXOKKPIPFVHV-CHWSQXEVSA-N 2 0 295.387 -0.761 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCCF)C[C@H]2O)C1 ZINC001078006146 805822868 /nfs/dbraw/zinc/82/28/68/805822868.db2.gz UEPJMOUUFSJOPV-JHJVBQTASA-N 2 0 287.379 -0.151 20 0 CBADRP C[C@@H](CCNC(=O)CC[NH+](C)C)NC(=O)CC[NH+](C)C ZINC001078197673 805857117 /nfs/dbraw/zinc/85/71/17/805857117.db2.gz MQZRVVDTKBOOQL-LBPRGKRZSA-N 2 0 286.420 -0.099 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001147900683 814926422 /nfs/dbraw/zinc/92/64/22/814926422.db2.gz UIULCHPYVGBVPP-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079489635 805919702 /nfs/dbraw/zinc/91/97/02/805919702.db2.gz IEVLQPPQOHVPLX-UTUOFQBUSA-N 2 0 255.362 -0.491 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383529 805976389 /nfs/dbraw/zinc/97/63/89/805976389.db2.gz IZNHKNVCRJYFMK-DGCLKSJQSA-N 2 0 269.389 -0.243 20 0 CBADRP COCCC[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977362 814927774 /nfs/dbraw/zinc/92/77/74/814927774.db2.gz PSDVIBIEVZDTSP-UHFFFAOYSA-N 2 0 255.362 -0.176 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001147977009 814927956 /nfs/dbraw/zinc/92/79/56/814927956.db2.gz GDYTYLGRIIDCCQ-LBPRGKRZSA-N 2 0 294.399 -0.591 20 0 CBADRP O=C(NCC[NH2+][C@@H]1CCCNC1=O)C12CC[NH+](CC1)C2 ZINC001147977758 814927960 /nfs/dbraw/zinc/92/79/60/814927960.db2.gz XHQYYASALXXBBF-LLVKDONJSA-N 2 0 280.372 -0.933 20 0 CBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694837 806116390 /nfs/dbraw/zinc/11/63/90/806116390.db2.gz SMCKTWTXCGCRKA-AAVRWANBSA-N 2 0 299.415 -0.476 20 0 CBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001082133690 806147758 /nfs/dbraw/zinc/14/77/58/806147758.db2.gz MPSNJKMXAOEARE-BFHYXJOUSA-N 2 0 299.415 -0.332 20 0 CBADRP CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095853 806145081 /nfs/dbraw/zinc/14/50/81/806145081.db2.gz MAZNCIWEIVIGAK-IACUBPJLSA-N 2 0 299.415 -0.476 20 0 CBADRP COCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326825 806165275 /nfs/dbraw/zinc/16/52/75/806165275.db2.gz RLDFHGBYDZUVTL-BFHYXJOUSA-N 2 0 299.415 -0.210 20 0 CBADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326891 806165513 /nfs/dbraw/zinc/16/55/13/806165513.db2.gz UFYDNCORTVVWOF-JHJVBQTASA-N 2 0 285.388 -0.864 20 0 CBADRP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082369636 806171296 /nfs/dbraw/zinc/17/12/96/806171296.db2.gz VEYDQVKDCWHPEY-IJLUTSLNSA-N 2 0 255.362 -0.227 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001082508344 806184790 /nfs/dbraw/zinc/18/47/90/806184790.db2.gz ZZWSVWLAZCFMPJ-JHJVBQTASA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CC(N)=O ZINC001082515386 806185179 /nfs/dbraw/zinc/18/51/79/806185179.db2.gz MHCKBFBVUVYLPY-KGYLQXTDSA-N 2 0 294.399 -0.750 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CCO ZINC001082559310 806185664 /nfs/dbraw/zinc/18/56/64/806185664.db2.gz AYLYEJMAXXGWFD-RAIGVLPGSA-N 2 0 269.389 -0.245 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CCO ZINC001082596638 806186277 /nfs/dbraw/zinc/18/62/77/806186277.db2.gz TZJYPDCWIBURGL-UPJWGTAASA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1[NH2+]CCO ZINC001082887300 806197368 /nfs/dbraw/zinc/19/73/68/806197368.db2.gz OMVOFLUXFZUGRC-NFAWXSAZSA-N 2 0 281.400 -0.099 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)C(N)=O ZINC001082921343 806198468 /nfs/dbraw/zinc/19/84/68/806198468.db2.gz FWYNVSKJFLXYOO-IJLUTSLNSA-N 2 0 282.388 -0.608 20 0 CBADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)C(N)=O ZINC001082921469 806198577 /nfs/dbraw/zinc/19/85/77/806198577.db2.gz MXQWXSJWTZBYEY-JHJVBQTASA-N 2 0 296.415 -0.217 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001082943368 806198629 /nfs/dbraw/zinc/19/86/29/806198629.db2.gz GKAUTVIEXYBNRJ-UPJWGTAASA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466479 806335478 /nfs/dbraw/zinc/33/54/78/806335478.db2.gz WCUYXAPYEKDIJA-MJBXVCDLSA-N 2 0 281.400 -0.102 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2O)CC[N@@H+]1C ZINC001083472501 806337065 /nfs/dbraw/zinc/33/70/65/806337065.db2.gz BASSWFRGCNOQCI-ZRJCITRHSA-N 2 0 281.400 -0.102 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083473223 806337395 /nfs/dbraw/zinc/33/73/95/806337395.db2.gz PIGKKRFPSNMMSM-KKOKHZNYSA-N 2 0 255.362 -0.492 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@@H]2O)CC1 ZINC001083749493 806421895 /nfs/dbraw/zinc/42/18/95/806421895.db2.gz CLZYNYNUYNXIAO-KGLIPLIRSA-N 2 0 281.400 -0.101 20 0 CBADRP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083957801 806470462 /nfs/dbraw/zinc/47/04/62/806470462.db2.gz OWIAIABQPMMKGX-UPJWGTAASA-N 2 0 297.399 -0.722 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2O)C1 ZINC001083953505 806466696 /nfs/dbraw/zinc/46/66/96/806466696.db2.gz VINQNQMYVNGBEV-MCIONIFRSA-N 2 0 281.400 -0.101 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2O)C1 ZINC001083953506 806467776 /nfs/dbraw/zinc/46/77/76/806467776.db2.gz VINQNQMYVNGBEV-MJBXVCDLSA-N 2 0 281.400 -0.101 20 0 CBADRP CC(C)[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083954849 806468450 /nfs/dbraw/zinc/46/84/50/806468450.db2.gz LLHOPEBMLKXWAO-XQQFMLRXSA-N 2 0 269.389 -0.102 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083954649 806468815 /nfs/dbraw/zinc/46/88/15/806468815.db2.gz AWHFZBJTGNEHEZ-TUAOUCFPSA-N 2 0 255.362 -0.491 20 0 CBADRP O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958869 806470646 /nfs/dbraw/zinc/47/06/46/806470646.db2.gz ZYDKOASXFSNDPL-OLZOCXBDSA-N 2 0 279.384 -0.347 20 0 CBADRP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083957802 806470387 /nfs/dbraw/zinc/47/03/87/806470387.db2.gz OWIAIABQPMMKGX-XQQFMLRXSA-N 2 0 297.399 -0.722 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCO)C[C@H]21 ZINC001084231472 806504551 /nfs/dbraw/zinc/50/45/51/806504551.db2.gz BFVKWEJRQCCFSC-FRRDWIJNSA-N 2 0 267.373 -0.394 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001148174777 814931759 /nfs/dbraw/zinc/93/17/59/814931759.db2.gz UZUMDAJOSXHHQN-UHFFFAOYSA-N 2 0 269.389 -0.145 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001086046199 806639196 /nfs/dbraw/zinc/63/91/96/806639196.db2.gz OSUSFVLHSVLQRC-RNJOBUHISA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001086047099 806639235 /nfs/dbraw/zinc/63/92/35/806639235.db2.gz DUZZJJKOQIZKMI-WUHRBBMRSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001086047069 806639608 /nfs/dbraw/zinc/63/96/08/806639608.db2.gz CSFVMNXUUGOETQ-WYUUTHIRSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)[NH+]1CCCCCC1 ZINC001022808468 798841712 /nfs/dbraw/zinc/84/17/12/798841712.db2.gz WFMXQSRGYSVKIU-UPJWGTAASA-N 2 0 296.415 -0.027 20 0 CBADRP CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1=O ZINC001023086871 798879950 /nfs/dbraw/zinc/87/99/50/798879950.db2.gz ZVURNLRDAYIRSJ-FVCCEPFGSA-N 2 0 294.399 -0.594 20 0 CBADRP Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023084326 798879987 /nfs/dbraw/zinc/87/99/87/798879987.db2.gz NLCVJUHIIOVYQO-SDDRHHMPSA-N 2 0 292.387 -0.496 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001023088925 798881659 /nfs/dbraw/zinc/88/16/59/798881659.db2.gz PLMQKUHIOMIGCM-TUAOUCFPSA-N 2 0 280.372 -0.793 20 0 CBADRP CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001023090448 798881663 /nfs/dbraw/zinc/88/16/63/798881663.db2.gz PRWNCXQTLZQFMV-FRRDWIJNSA-N 2 0 294.399 -0.450 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025707970 798971109 /nfs/dbraw/zinc/97/11/09/798971109.db2.gz FCKCCKMHBQAIPP-OBPIAQAESA-N 2 0 292.383 -0.985 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001025787212 798977007 /nfs/dbraw/zinc/97/70/07/798977007.db2.gz AROKOIFXSCBENA-HUGQBSPZSA-N 2 0 293.411 -0.245 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC001025820339 798978127 /nfs/dbraw/zinc/97/81/27/798978127.db2.gz OBNCYJOSAOJYNU-PDWCTOEPSA-N 2 0 281.400 -0.102 20 0 CBADRP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001026044228 798988090 /nfs/dbraw/zinc/98/80/90/798988090.db2.gz MBJXVMGBKSBLJX-POQQGIQPSA-N 2 0 281.400 -0.123 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001026140332 798991263 /nfs/dbraw/zinc/99/12/63/798991263.db2.gz GEQXNRFIRTXHFY-XOBFJNJYSA-N 2 0 281.400 -0.245 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001026561360 799009621 /nfs/dbraw/zinc/00/96/21/799009621.db2.gz XTPCSNUPTBLJEG-PNESKVBLSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681583 799064624 /nfs/dbraw/zinc/06/46/24/799064624.db2.gz YKFWNMMIMXGUCH-STQMWFEESA-N 2 0 296.415 -0.121 20 0 CBADRP C[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681664 799065623 /nfs/dbraw/zinc/06/56/23/799065623.db2.gz ADXNAFAKDWJGLT-ZDUSSCGKSA-N 2 0 269.389 -0.003 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCO)CC1 ZINC001028117555 799111097 /nfs/dbraw/zinc/11/10/97/799111097.db2.gz QVPDDZNWZWJWOY-CYBMUJFWSA-N 2 0 269.389 -0.099 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001028580505 799152833 /nfs/dbraw/zinc/15/28/33/799152833.db2.gz XITGEFHQCHCYTP-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001028757214 799166596 /nfs/dbraw/zinc/16/65/96/799166596.db2.gz AYDYQWFNPIOJOY-UONOGXRCSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001028762150 799168335 /nfs/dbraw/zinc/16/83/35/799168335.db2.gz GWFGJTSOHRVDHI-XQQFMLRXSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028778811 799169639 /nfs/dbraw/zinc/16/96/39/799169639.db2.gz MFTVFTKKWNYTJM-NEPJUHHUSA-N 2 0 296.415 -0.360 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028986148 799184606 /nfs/dbraw/zinc/18/46/06/799184606.db2.gz PVRLRXNTBCCEIR-STQMWFEESA-N 2 0 296.415 -0.536 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028985258 799184944 /nfs/dbraw/zinc/18/49/44/799184944.db2.gz JYCMPVOMXPFYFP-NWDGAFQWSA-N 2 0 282.388 -0.878 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](CCO)C2)C1 ZINC001028987206 799184967 /nfs/dbraw/zinc/18/49/67/799184967.db2.gz WBWCSMLXDWRYKN-NEPJUHHUSA-N 2 0 255.362 -0.632 20 0 CBADRP COCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031578299 799512672 /nfs/dbraw/zinc/51/26/72/799512672.db2.gz WHHNWGWPSDITNG-GFCCVEGCSA-N 2 0 255.362 -0.225 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031666932 799531191 /nfs/dbraw/zinc/53/11/91/799531191.db2.gz UIPILDIPXLMFSE-ZDUSSCGKSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031688950 799533397 /nfs/dbraw/zinc/53/33/97/799533397.db2.gz OILBZQODFMZULL-STQMWFEESA-N 2 0 267.373 -0.083 20 0 CBADRP COCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001031688244 799533706 /nfs/dbraw/zinc/53/37/06/799533706.db2.gz BGEFXVMLQLSOLD-KGLIPLIRSA-N 2 0 297.399 -0.456 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031713654 799536497 /nfs/dbraw/zinc/53/64/97/799536497.db2.gz DIPQZYDAQHMGRN-ZDUSSCGKSA-N 2 0 269.389 -0.099 20 0 CBADRP CC(C)[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@@H](C)O)C2)C1 ZINC001031921524 799562321 /nfs/dbraw/zinc/56/23/21/799562321.db2.gz RWAVCAKUTCWMCO-OCCSQVGLSA-N 2 0 299.415 -0.476 20 0 CBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCCO)C2)C1 ZINC001031923320 799562700 /nfs/dbraw/zinc/56/27/00/799562700.db2.gz ZIAOUHVZJPJUII-AWEZNQCLSA-N 2 0 299.415 -0.474 20 0 CBADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCCO)C1 ZINC001032958881 799697400 /nfs/dbraw/zinc/69/74/00/799697400.db2.gz BWRBKBOFULOVPP-OLZOCXBDSA-N 2 0 269.389 -0.004 20 0 CBADRP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CCO)C1 ZINC001033199579 799727095 /nfs/dbraw/zinc/72/70/95/799727095.db2.gz VRLXLEBTMPUILD-QWHCGFSZSA-N 2 0 269.389 -0.004 20 0 CBADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CCO)C1 ZINC001033593852 799768801 /nfs/dbraw/zinc/76/88/01/799768801.db2.gz NAGHWUFKSWNNKE-LBPRGKRZSA-N 2 0 267.373 -0.393 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033596472 799771500 /nfs/dbraw/zinc/77/15/00/799771500.db2.gz ZSXKFKXUUCDXRI-QWHCGFSZSA-N 2 0 281.400 -0.004 20 0 CBADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCO)C1 ZINC001034040569 799805859 /nfs/dbraw/zinc/80/58/59/799805859.db2.gz VNLDUTZGIXDFTA-OLZOCXBDSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034739186 799854162 /nfs/dbraw/zinc/85/41/62/799854162.db2.gz YUMPTMVPAOUUDM-FDYHWXHSSA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)C1 ZINC001034734697 799854324 /nfs/dbraw/zinc/85/43/24/799854324.db2.gz VOCYYHSOGQOHFW-AVGNSLFASA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)C1 ZINC001034793239 799856525 /nfs/dbraw/zinc/85/65/25/799856525.db2.gz USFUZOJYHULCEW-IJLUTSLNSA-N 2 0 282.388 -0.560 20 0 CBADRP CN1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CC3CC3)CCO2)C1 ZINC001035325840 799892353 /nfs/dbraw/zinc/89/23/53/799892353.db2.gz DCAQCQXFVQNNMN-KGLIPLIRSA-N 2 0 297.399 -0.456 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC3(C[NH+](CCO)C3)CC2)C1 ZINC001035853500 799966121 /nfs/dbraw/zinc/96/61/21/799966121.db2.gz XYGOFPRDWDZJAZ-ZDUSSCGKSA-N 2 0 281.400 -0.145 20 0 CBADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036064056 799975986 /nfs/dbraw/zinc/97/59/86/799975986.db2.gz LJSZPKQVCSSBLB-YPMHNXCESA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)C[NH+]1CCCC1 ZINC001044858271 801673766 /nfs/dbraw/zinc/67/37/66/801673766.db2.gz QZNKEZPLCQHCDJ-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001045639644 801707733 /nfs/dbraw/zinc/70/77/33/801707733.db2.gz ONHQRPKDPHFFKR-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CCO)C1 ZINC001046197859 801739386 /nfs/dbraw/zinc/73/93/86/801739386.db2.gz RSRBTTDPVHIQEZ-WCQYABFASA-N 2 0 255.362 -0.347 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CCO)C1 ZINC001046197858 801739455 /nfs/dbraw/zinc/73/94/55/801739455.db2.gz RSRBTTDPVHIQEZ-DGCLKSJQSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](CCO)C2)CC[N@@H+]1C ZINC001046330072 801751837 /nfs/dbraw/zinc/75/18/37/801751837.db2.gz WADRVUKYVXRGSM-YRGRVCCFSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CCO)C2)CC1 ZINC001046589002 801777366 /nfs/dbraw/zinc/77/73/66/801777366.db2.gz WTIQGCXQOHBNGY-CQSZACIVSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](CCO)C2)C1 ZINC001046838123 801795976 /nfs/dbraw/zinc/79/59/76/801795976.db2.gz FITKYEZFIWRJBD-AAEUAGOBSA-N 2 0 255.362 -0.489 20 0 CBADRP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047514304 801889728 /nfs/dbraw/zinc/88/97/28/801889728.db2.gz ZZOBOPGZPSPBGD-STQMWFEESA-N 2 0 269.389 -0.148 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047511589 801891581 /nfs/dbraw/zinc/89/15/81/801891581.db2.gz KTEGWPILRGEULN-UBHSHLNASA-N 2 0 299.415 -0.788 20 0 CBADRP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001047528447 801894191 /nfs/dbraw/zinc/89/41/91/801894191.db2.gz RFAXKTCQYPIQSE-RDBSUJKOSA-N 2 0 299.415 -0.522 20 0 CBADRP CO[C@H](C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047545036 801898385 /nfs/dbraw/zinc/89/83/85/801898385.db2.gz NWYRSMQELHGQOW-WXHSDQCUSA-N 2 0 296.371 -0.509 20 0 CBADRP Cc1nc[nH]c1CC(=O)N(C)[C@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1O ZINC001047611971 801911703 /nfs/dbraw/zinc/91/17/03/801911703.db2.gz OAKCJYKYIABBDF-ICCXJUOJSA-N 2 0 296.371 -0.855 20 0 CBADRP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047627163 801914950 /nfs/dbraw/zinc/91/49/50/801914950.db2.gz MPJIXZWLAAQIPS-RYUDHWBXSA-N 2 0 255.362 -0.394 20 0 CBADRP CO[C@H](C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047627616 801915791 /nfs/dbraw/zinc/91/57/91/801915791.db2.gz RXPOTAJUZHNXHI-RDBSUJKOSA-N 2 0 299.415 -0.379 20 0 CBADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1)C1CC1 ZINC001048863948 801975841 /nfs/dbraw/zinc/97/58/41/801975841.db2.gz QOWVOZKDGOLDLC-MJBXVCDLSA-N 2 0 281.400 -0.291 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1 ZINC001048894520 801977999 /nfs/dbraw/zinc/97/79/99/801977999.db2.gz DTOHWGDOOVHZFV-FRRDWIJNSA-N 2 0 294.399 -0.654 20 0 CBADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)CC1 ZINC001049024856 801993958 /nfs/dbraw/zinc/99/39/58/801993958.db2.gz FZZYUAPATHOOFL-OKILXGFUSA-N 2 0 281.400 -0.289 20 0 CBADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@@H]2C1)[NH+](C)C ZINC001049064331 801994791 /nfs/dbraw/zinc/99/47/91/801994791.db2.gz DCQWYVJSIULOKQ-RVMXOQNASA-N 2 0 296.415 -0.409 20 0 CBADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1)[NH+](C)C ZINC001049064309 801995229 /nfs/dbraw/zinc/99/52/29/801995229.db2.gz CPZZZERYNGFUOU-TUAOUCFPSA-N 2 0 282.388 -0.798 20 0 CBADRP CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001051931468 802172224 /nfs/dbraw/zinc/17/22/24/802172224.db2.gz BLPREJWZTUQMNW-NWDGAFQWSA-N 2 0 255.362 -0.225 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052868738 802221423 /nfs/dbraw/zinc/22/14/23/802221423.db2.gz XNJKLJSEYDFGKD-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052868736 802222093 /nfs/dbraw/zinc/22/20/93/802222093.db2.gz XNJKLJSEYDFGKD-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052871376 802222410 /nfs/dbraw/zinc/22/24/10/802222410.db2.gz GOQAMXTTZGTOSB-LBPRGKRZSA-N 2 0 294.399 -0.462 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052932799 802225708 /nfs/dbraw/zinc/22/57/08/802225708.db2.gz SEZZTKACKSFVGF-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001054298326 802332308 /nfs/dbraw/zinc/33/23/08/802332308.db2.gz FKHMPERYHUUPLC-TUAOUCFPSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CCO ZINC001054734148 802366784 /nfs/dbraw/zinc/36/67/84/802366784.db2.gz ASXOYZMGWGZGOJ-DGCLKSJQSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC(N)=O ZINC001054742361 802368151 /nfs/dbraw/zinc/36/81/51/802368151.db2.gz ZDFHOEDDNJXZTP-WDEREUQCSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC(N)=O ZINC001054742358 802368577 /nfs/dbraw/zinc/36/85/77/802368577.db2.gz ZDFHOEDDNJXZTP-GHMZBOCLSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CC(N)=O ZINC001054968568 802382011 /nfs/dbraw/zinc/38/20/11/802382011.db2.gz KCZDILWIFHEBSW-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210896 814933846 /nfs/dbraw/zinc/93/38/46/814933846.db2.gz WMAIOCBKXLVFPL-UHFFFAOYSA-N 2 0 296.415 -0.439 20 0 CBADRP COCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986906 810985150 /nfs/dbraw/zinc/98/51/50/810985150.db2.gz REDPXZNCAPGSHP-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001116954070 812346482 /nfs/dbraw/zinc/34/64/82/812346482.db2.gz UCZSSOATYVIRHX-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)CC[NH2+]1 ZINC001118146856 812479149 /nfs/dbraw/zinc/47/91/49/812479149.db2.gz DLNITHWCAURQDD-ZJUUUORDSA-N 2 0 266.349 -0.503 20 0 CBADRP Cc1cc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)[nH]n1 ZINC001118149424 812479174 /nfs/dbraw/zinc/47/91/74/812479174.db2.gz GHPZXYVYJXFSSJ-CYBMUJFWSA-N 2 0 267.377 -0.584 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)CC[NH2+]1 ZINC001118146854 812479250 /nfs/dbraw/zinc/47/92/50/812479250.db2.gz DLNITHWCAURQDD-UWVGGRQHSA-N 2 0 266.349 -0.503 20 0 CBADRP CSC[C@@H](O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001119682219 812865287 /nfs/dbraw/zinc/86/52/87/812865287.db2.gz BFGKSMKCUZLNLW-NEPJUHHUSA-N 2 0 259.419 -0.310 20 0 CBADRP [NH3+]CC(C[NH3+])NCCn1cnc2ccccc2c1=O ZINC001119682681 812866970 /nfs/dbraw/zinc/86/69/70/812866970.db2.gz QUZGVEQVFHMOSR-UHFFFAOYSA-N 2 0 261.329 -0.728 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001120243933 812940874 /nfs/dbraw/zinc/94/08/74/812940874.db2.gz IJSYSCUQAUJRNC-OCCSQVGLSA-N 2 0 268.405 -0.133 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)NCC2=CC[NH2+]CC2)C1=O ZINC001121931910 813092134 /nfs/dbraw/zinc/09/21/34/813092134.db2.gz DUULWQKGEOKCHL-LBPRGKRZSA-N 2 0 280.372 -0.780 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001121936642 813092142 /nfs/dbraw/zinc/09/21/42/813092142.db2.gz FLDNYYRFIHMWJS-NDBYEHHHSA-N 2 0 264.373 -0.948 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001121928589 813092480 /nfs/dbraw/zinc/09/24/80/813092480.db2.gz RCNXKVRMYWIMAZ-KGLIPLIRSA-N 2 0 297.447 -0.968 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)C[C@H]1CSCC[NH2+]1 ZINC001122101195 813118261 /nfs/dbraw/zinc/11/82/61/813118261.db2.gz YBUNBXLSVSLMLN-UWVGGRQHSA-N 2 0 261.391 -0.880 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001122126625 813121695 /nfs/dbraw/zinc/12/16/95/813121695.db2.gz JJNXJDFSNMXGKA-FDYHWXHSSA-N 2 0 266.389 -0.287 20 0 CBADRP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC001122126630 813121791 /nfs/dbraw/zinc/12/17/91/813121791.db2.gz JJNXJDFSNMXGKA-QNWHQSFQSA-N 2 0 266.389 -0.287 20 0 CBADRP CC(C)([NH3+])CCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001122132044 813121816 /nfs/dbraw/zinc/12/18/16/813121816.db2.gz QWOREKATYWMQFW-MFKMUULPSA-N 2 0 255.362 -0.144 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001122368088 813154740 /nfs/dbraw/zinc/15/47/40/813154740.db2.gz MGUHCRIFZITPMG-UTUOFQBUSA-N 2 0 257.378 -0.197 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC001122367750 813154919 /nfs/dbraw/zinc/15/49/19/813154919.db2.gz BUKDQBBXEHKADQ-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001122370127 813154947 /nfs/dbraw/zinc/15/49/47/813154947.db2.gz SAEZQOXBJQMUKB-AAEUAGOBSA-N 2 0 255.362 -0.368 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)NC[C@@H]2CCCCC[NH2+]2)C1=O ZINC001122392715 813158795 /nfs/dbraw/zinc/15/87/95/813158795.db2.gz RVRSFEUMPGLNPX-QWHCGFSZSA-N 2 0 296.415 -0.168 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[C@H]1COCC[NH2+]1)C2 ZINC001122404510 813159601 /nfs/dbraw/zinc/15/96/01/813159601.db2.gz YZIKSWOFZMCJPL-USZNOCQGSA-N 2 0 253.346 -0.297 20 0 CBADRP [NH3+]CC1(C(=O)NCC[C@@H]2CCC[NH2+]CC2)CC(O)C1 ZINC001122505929 813171466 /nfs/dbraw/zinc/17/14/66/813171466.db2.gz SPJNKCDNUBTNPM-LKSINWNRSA-N 2 0 269.389 -0.018 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001129356114 813838153 /nfs/dbraw/zinc/83/81/53/813838153.db2.gz BLXRQEKTGHAOCM-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129357379 813838223 /nfs/dbraw/zinc/83/82/23/813838223.db2.gz KCOQBXIKXKKKFE-SNVBAGLBSA-N 2 0 270.377 -0.689 20 0 CBADRP COc1coc(C[NH2+]CCNC(=O)CC[NH+](C)C)cc1=O ZINC001133291665 814237801 /nfs/dbraw/zinc/23/78/01/814237801.db2.gz VNKBOWJGOGNELO-UHFFFAOYSA-N 2 0 297.355 -0.194 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)CC[NH+](C)C)C(=O)NC1CC1 ZINC001133291653 814237910 /nfs/dbraw/zinc/23/79/10/814237910.db2.gz USRMHPNTMGJENY-SNVBAGLBSA-N 2 0 270.377 -0.689 20 0 CBADRP CN(C(=O)C[NH2+]CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001133294270 814238300 /nfs/dbraw/zinc/23/83/00/814238300.db2.gz AFXUKGHKWHMNIG-UHFFFAOYSA-N 2 0 270.377 -0.735 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)NCC1CC1)[NH+](C)C ZINC001133415696 814250211 /nfs/dbraw/zinc/25/02/11/814250211.db2.gz KRJSEMSUCMFPDZ-CQSZACIVSA-N 2 0 298.431 -0.195 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001133415587 814250350 /nfs/dbraw/zinc/25/03/50/814250350.db2.gz FJFWDDSSMSQOLG-GFCCVEGCSA-N 2 0 272.393 -0.633 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133833905 814304281 /nfs/dbraw/zinc/30/42/81/814304281.db2.gz JGGMHRZCUBLNQP-LBPRGKRZSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001133845422 814305182 /nfs/dbraw/zinc/30/51/82/814305182.db2.gz FMHVXEFPVKJZFV-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)C(=O)NC1CC1 ZINC001133833959 814305448 /nfs/dbraw/zinc/30/54/48/814305448.db2.gz KPEBOFZQZLYEGF-RYUDHWBXSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]Cc1ccnn1C)[NH+](C)C ZINC001133983073 814332965 /nfs/dbraw/zinc/33/29/65/814332965.db2.gz YAVGADDVLLMUSL-LBPRGKRZSA-N 2 0 267.377 -0.034 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC1CC1)[NH+](C)C ZINC001133982676 814333569 /nfs/dbraw/zinc/33/35/69/814333569.db2.gz HIGQKNBUPWBBKB-LBPRGKRZSA-N 2 0 284.404 -0.441 20 0 CBADRP CN(C)C(=O)CCC(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001143056617 814753405 /nfs/dbraw/zinc/75/34/05/814753405.db2.gz OYFPQNKRFVNFOG-UHFFFAOYSA-N 2 0 257.338 -0.684 20 0 CBADRP CCOCC[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147894025 814923685 /nfs/dbraw/zinc/92/36/85/814923685.db2.gz YJVCLKGMCRZWLQ-UHFFFAOYSA-N 2 0 261.366 -0.693 20 0 CBADRP C[NH+](C)CCCCC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001148360436 814939797 /nfs/dbraw/zinc/93/97/97/814939797.db2.gz VAGFBPBHCCGYHR-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP C[NH+](C)CCCCC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001148360315 814939807 /nfs/dbraw/zinc/93/98/07/814939807.db2.gz QHEGAUDFIOLKQU-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(N)=O)C2 ZINC001148458702 814946251 /nfs/dbraw/zinc/94/62/51/814946251.db2.gz UGSQCGRJCXZVPN-LBPRGKRZSA-N 2 0 296.415 -0.264 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001148570997 814950744 /nfs/dbraw/zinc/95/07/44/814950744.db2.gz QRUOEMRPTFZMQX-UHFFFAOYSA-N 2 0 293.433 -0.531 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001148577821 814951499 /nfs/dbraw/zinc/95/14/99/814951499.db2.gz FEUFUYMAFFRYEF-GFCCVEGCSA-N 2 0 286.420 -0.099 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001148571151 814951593 /nfs/dbraw/zinc/95/15/93/814951593.db2.gz YAKIEHLWCCFAAE-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001148570798 814951789 /nfs/dbraw/zinc/95/17/89/814951789.db2.gz MJWUDRAEDZCMPQ-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001148642930 814954013 /nfs/dbraw/zinc/95/40/13/814954013.db2.gz QSTPJZXKCHYAJW-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H]1CCN(CC)C1=O ZINC001148642064 814954781 /nfs/dbraw/zinc/95/47/81/814954781.db2.gz DEQOKPRCTLXWFT-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001148656135 814956250 /nfs/dbraw/zinc/95/62/50/814956250.db2.gz WKLUQOWSHNMDDW-UHFFFAOYSA-N 2 0 297.359 -0.339 20 0 CBADRP C[C@@H](C[NH2+]CCO)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001321849568 803827108 /nfs/dbraw/zinc/82/71/08/803827108.db2.gz PVUOWLVGKQKMGD-NSHDSACASA-N 2 0 283.376 -0.855 20 0 CBADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CCn1cncn1)[NH+](C)C ZINC001321978103 803845987 /nfs/dbraw/zinc/84/59/87/803845987.db2.gz LELUIOAQOOODGT-QWHCGFSZSA-N 2 0 296.419 -0.041 20 0 CBADRP CN(CCC[NH2+]CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001322543160 803909176 /nfs/dbraw/zinc/90/91/76/803909176.db2.gz IUWONYCZQAVPQJ-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP COC[C@H](O)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001322648073 803923796 /nfs/dbraw/zinc/92/37/96/803923796.db2.gz IFVPHALTRPRPKJ-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001322678212 803925838 /nfs/dbraw/zinc/92/58/38/803925838.db2.gz MKRQFJFKLKXQJB-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001322757810 803934712 /nfs/dbraw/zinc/93/47/12/803934712.db2.gz PDDJUOWYFRAOKE-XDQVBPFNSA-N 3 0 250.390 -0.711 20 0 CBADRP C[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001322830923 803945390 /nfs/dbraw/zinc/94/53/90/803945390.db2.gz FOTLAKFJLSDEID-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001160456964 815625639 /nfs/dbraw/zinc/62/56/39/815625639.db2.gz WKQACJMCNMBYKO-GFCCVEGCSA-N 3 0 266.389 -0.747 20 0 CBADRP CC[N@@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001325153783 804248900 /nfs/dbraw/zinc/24/89/00/804248900.db2.gz NEFWUMVWSVYOFL-CQSZACIVSA-N 2 0 267.373 -0.345 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC001325429075 804287150 /nfs/dbraw/zinc/28/71/50/804287150.db2.gz VUNMTLMIGJDIJI-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H]([NH2+]CCO)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001325441807 804288122 /nfs/dbraw/zinc/28/81/22/804288122.db2.gz ZKPHTMLVGMOMBR-RYUDHWBXSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@@H]([NH2+]CCO)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001325441808 804288470 /nfs/dbraw/zinc/28/84/70/804288470.db2.gz ZKPHTMLVGMOMBR-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2cscn2)CC1 ZINC001325844303 804324305 /nfs/dbraw/zinc/32/43/05/804324305.db2.gz PWZQZBXJDWFQNI-CYBMUJFWSA-N 2 0 284.429 -0.117 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2cccnc2)CC1 ZINC001325870982 804328742 /nfs/dbraw/zinc/32/87/42/804328742.db2.gz KJDYKWDIABLKQP-HNNXBMFYSA-N 2 0 278.400 -0.178 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001150241155 815022376 /nfs/dbraw/zinc/02/23/76/815022376.db2.gz MMIJUOJONDZGAY-LBPRGKRZSA-N 2 0 273.377 -0.863 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](CCO)CCCO1 ZINC001150624572 815036801 /nfs/dbraw/zinc/03/68/01/815036801.db2.gz BTXMDXHCAYNCST-ZDUSSCGKSA-N 2 0 287.404 -0.472 20 0 CBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151048490 815052510 /nfs/dbraw/zinc/05/25/10/815052510.db2.gz BOVKNYZEHGLWDJ-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCCCC2)C1 ZINC001151043593 815053042 /nfs/dbraw/zinc/05/30/42/815053042.db2.gz GOXZMIQGDWNEGX-ZDUSSCGKSA-N 2 0 296.415 -0.344 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccon2)C1 ZINC001151066561 815056833 /nfs/dbraw/zinc/05/68/33/815056833.db2.gz WJPMNXOGKFJXRM-JTQLQIEISA-N 2 0 295.343 -0.729 20 0 CBADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001151064978 815054010 /nfs/dbraw/zinc/05/40/10/815054010.db2.gz GLDGPJIOPKRQGB-DGCLKSJQSA-N 2 0 296.415 -0.441 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCn2cccn2)C1 ZINC001151064364 815054068 /nfs/dbraw/zinc/05/40/68/815054068.db2.gz ARIUQXRMWWHUJR-LBPRGKRZSA-N 2 0 265.361 -0.459 20 0 CBADRP Cn1cc(CC[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001151056971 815054262 /nfs/dbraw/zinc/05/42/62/815054262.db2.gz OMSLZNPWLSQBLF-ZDUSSCGKSA-N 2 0 279.388 -0.380 20 0 CBADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001151064981 815054686 /nfs/dbraw/zinc/05/46/86/815054686.db2.gz GLDGPJIOPKRQGB-YPMHNXCESA-N 2 0 296.415 -0.441 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001151066781 815056200 /nfs/dbraw/zinc/05/62/00/815056200.db2.gz YRXDHVAPSSQLIF-LLVKDONJSA-N 2 0 291.417 -0.921 20 0 CBADRP CCCC[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001151065837 815056309 /nfs/dbraw/zinc/05/63/09/815056309.db2.gz NLNFATAENZXDNJ-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001151066775 815057115 /nfs/dbraw/zinc/05/71/15/815057115.db2.gz YPRWQHWEYMQNCY-GHMZBOCLSA-N 2 0 270.377 -0.879 20 0 CBADRP COc1cncc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001151065618 815057444 /nfs/dbraw/zinc/05/74/44/815057444.db2.gz LRTSWOMCZPQVMN-NSHDSACASA-N 2 0 293.371 -0.357 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC(C)(C)C)C1 ZINC001151065927 815057468 /nfs/dbraw/zinc/05/74/68/815057468.db2.gz OFZVZUYNVAFATN-GFCCVEGCSA-N 2 0 298.431 -0.194 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151107101 815061311 /nfs/dbraw/zinc/06/13/11/815061311.db2.gz RSGHAVWSRWOVQO-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001151101526 815061732 /nfs/dbraw/zinc/06/17/32/815061732.db2.gz QURPPKUHWDGCKS-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP COc1cncc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)n1 ZINC001151100406 815062038 /nfs/dbraw/zinc/06/20/38/815062038.db2.gz BUOVZDSLHCRPIM-UHFFFAOYSA-N 2 0 293.371 -0.213 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C[NH+]1CCCC1)C(=O)N(C)C ZINC001151101789 815062776 /nfs/dbraw/zinc/06/27/76/815062776.db2.gz WOPYGLXXPOVTTL-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151157499 815064998 /nfs/dbraw/zinc/06/49/98/815064998.db2.gz MBOWAXITBIALPT-GFCCVEGCSA-N 2 0 273.377 -0.693 20 0 CBADRP COC[C@H](C)[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151159933 815065243 /nfs/dbraw/zinc/06/52/43/815065243.db2.gz VMQFXYYGZKZJOW-OLZOCXBDSA-N 2 0 287.404 -0.305 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCO)C2 ZINC001072541814 805308069 /nfs/dbraw/zinc/30/80/69/805308069.db2.gz DTLBFSPXKGACJW-ZDUSSCGKSA-N 2 0 281.400 -0.003 20 0 CBADRP COC[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151159936 815065471 /nfs/dbraw/zinc/06/54/71/815065471.db2.gz VMQFXYYGZKZJOW-QWHCGFSZSA-N 2 0 287.404 -0.305 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]C[C@@H]1CCOC1 ZINC001151158639 815066050 /nfs/dbraw/zinc/06/60/50/815066050.db2.gz QLWUJOCJMNZWGZ-KBPBESRZSA-N 2 0 299.415 -0.303 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001072854367 805341409 /nfs/dbraw/zinc/34/14/09/805341409.db2.gz LIEAVFFFGPOIIQ-CYBMUJFWSA-N 2 0 281.400 -0.003 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001072981960 805351592 /nfs/dbraw/zinc/35/15/92/805351592.db2.gz WURLXZSZJVERCV-STQMWFEESA-N 2 0 281.400 -0.289 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073426009 805366956 /nfs/dbraw/zinc/36/69/56/805366956.db2.gz NYJMHLNEOYKBGX-NEPJUHHUSA-N 2 0 294.399 -0.654 20 0 CBADRP C[C@H](O)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001073430251 805369458 /nfs/dbraw/zinc/36/94/58/805369458.db2.gz AWWLSPNLRHXLBB-ZDUSSCGKSA-N 2 0 281.400 -0.003 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCO)CCCO1 ZINC001073554844 805385813 /nfs/dbraw/zinc/38/58/13/805385813.db2.gz OXVJNXBBFJYNQB-STQMWFEESA-N 2 0 285.388 -0.720 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCCO1 ZINC001073554841 805388367 /nfs/dbraw/zinc/38/83/67/805388367.db2.gz OXVJNXBBFJYNQB-CHWSQXEVSA-N 2 0 285.388 -0.720 20 0 CBADRP COCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073890995 805422331 /nfs/dbraw/zinc/42/23/31/805422331.db2.gz KONUZPITDFCUSK-KGLIPLIRSA-N 2 0 299.415 -0.208 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+](CCO)CCCO2)C1 ZINC001073892025 805424657 /nfs/dbraw/zinc/42/46/57/805424657.db2.gz WTGSQZHUWWLQGE-STQMWFEESA-N 2 0 285.388 -0.863 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001074655024 805464683 /nfs/dbraw/zinc/46/46/83/805464683.db2.gz RUQWJHNXORVZOZ-DRZSPHRISA-N 2 0 294.399 -0.608 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C)C(N)=O ZINC001074792961 805471855 /nfs/dbraw/zinc/47/18/55/805471855.db2.gz OFRUFWHNZMPQON-NOOOWODRSA-N 2 0 282.388 -0.467 20 0 CBADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C)C(N)=O ZINC001074803948 805473185 /nfs/dbraw/zinc/47/31/85/805473185.db2.gz WXPHQLXXRWWOFS-QNWHQSFQSA-N 2 0 296.415 -0.077 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CCO)[C@@H]2C)C1 ZINC001074878431 805475588 /nfs/dbraw/zinc/47/55/88/805475588.db2.gz VBZQPEUCCAKQIO-AVGNSLFASA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)C[NH+]1CCCC1 ZINC001075110969 805483672 /nfs/dbraw/zinc/48/36/72/805483672.db2.gz UECITPXXMYJDJK-AVGNSLFASA-N 2 0 294.399 -0.450 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1nnc2cnccn21 ZINC001152030912 815103156 /nfs/dbraw/zinc/10/31/56/815103156.db2.gz RQVWRCQWAUNAAJ-UHFFFAOYSA-N 2 0 276.304 -0.801 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]CCCO ZINC001152145350 815107591 /nfs/dbraw/zinc/10/75/91/815107591.db2.gz BAXAVYDTWCVRQN-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]CC(N)=O ZINC001152149647 815107662 /nfs/dbraw/zinc/10/76/62/815107662.db2.gz ZZWPMKMVFSUSEK-AOOOYVTPSA-N 2 0 256.350 -0.950 20 0 CBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]CCOCCO ZINC001152148074 815108321 /nfs/dbraw/zinc/10/83/21/815108321.db2.gz OIOTZWJYPMXYKJ-STQMWFEESA-N 2 0 287.404 -0.426 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001152224411 815110518 /nfs/dbraw/zinc/11/05/18/815110518.db2.gz WTVUHZAVZYAEIU-LLVKDONJSA-N 2 0 270.377 -0.558 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152230960 815112567 /nfs/dbraw/zinc/11/25/67/815112567.db2.gz TZNHDNXGUQJMQN-GFCCVEGCSA-N 2 0 257.378 -0.051 20 0 CBADRP C[C@H](O)C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340504 815117043 /nfs/dbraw/zinc/11/70/43/815117043.db2.gz PQWLKMKMPUQSML-LBPRGKRZSA-N 2 0 257.378 -0.051 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cccn2cnnc12 ZINC001152394670 815119272 /nfs/dbraw/zinc/11/92/72/815119272.db2.gz PSPXZBUCIIMOCY-UHFFFAOYSA-N 2 0 275.316 -0.196 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC ZINC001152446253 815122771 /nfs/dbraw/zinc/12/27/71/815122771.db2.gz VQNDXXABUVBEMH-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001152451916 815123145 /nfs/dbraw/zinc/12/31/45/815123145.db2.gz MACPZQNZRGHKPJ-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001152458758 815123876 /nfs/dbraw/zinc/12/38/76/815123876.db2.gz SNXKCTGYWKPUFM-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CC)C(N)=O ZINC001152458354 815124284 /nfs/dbraw/zinc/12/42/84/815124284.db2.gz NYTKJMXGZBHREO-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001152471281 815124353 /nfs/dbraw/zinc/12/43/53/815124353.db2.gz KKFLIJZUUASKQR-GFCCVEGCSA-N 2 0 270.377 -0.702 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152471735 815124671 /nfs/dbraw/zinc/12/46/71/815124671.db2.gz OESGPFUIVWOZHX-CQSZACIVSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@H]1CCNC1=O)[NH+]1CCCC1 ZINC001152471558 815124763 /nfs/dbraw/zinc/12/47/63/815124763.db2.gz MCNKPEDXJRRQEW-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH2+]CC(N)=O)o1 ZINC001153266334 815156069 /nfs/dbraw/zinc/15/60/69/815156069.db2.gz CLZZKIKOZJLGDL-UHFFFAOYSA-N 2 0 296.371 -0.074 20 0 CBADRP C[C@@H](CN1CC[NH2+]CC1)Nc1ncnc2c1CC[NH2+]CC2 ZINC001154748142 815237793 /nfs/dbraw/zinc/23/77/93/815237793.db2.gz RVVMLBVZEGDENM-LBPRGKRZSA-N 2 0 290.415 -0.130 20 0 CBADRP C[C@@H](CN1CC[NH2+]CC1)Nc1cc2c(nn1)CC[NH2+]C2 ZINC001154751358 815237894 /nfs/dbraw/zinc/23/78/94/815237894.db2.gz FPGANHUESFWTTF-NSHDSACASA-N 2 0 276.388 -0.172 20 0 CBADRP C[NH+](C)C1(C(=O)NCC[N@H+](C)CCO)CCCC1 ZINC001155250745 815273668 /nfs/dbraw/zinc/27/36/68/815273668.db2.gz CAOVGTLQHLOGNE-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP C[NH+]1CCN(c2cccc(N[C@@H]3COC[C@@H]3[NH3+])n2)CC1 ZINC001155352617 815278077 /nfs/dbraw/zinc/27/80/77/815278077.db2.gz CVBHGGJXYBYVJI-NWDGAFQWSA-N 2 0 277.372 -0.029 20 0 CBADRP [NH3+][C@H]1COC[C@H]1Nc1ccc(OCC2CC[NH2+]CC2)nn1 ZINC001155355255 815279026 /nfs/dbraw/zinc/27/90/26/815279026.db2.gz ZVBVCXNAFVSLAJ-NWDGAFQWSA-N 2 0 293.371 -0.007 20 0 CBADRP COC(=O)[C@@H](Nc1ncnc2c1CC[NH2+]CC2)C(C)(C)[NH3+] ZINC001155361853 815279297 /nfs/dbraw/zinc/27/92/97/815279297.db2.gz OFKUYVNRKNNTIT-LLVKDONJSA-N 2 0 293.371 -0.144 20 0 CBADRP COC(=O)[C@@H](Nc1ncc2c(n1)C[NH2+]C2)C(C)(C)[NH3+] ZINC001155368685 815279614 /nfs/dbraw/zinc/27/96/14/815279614.db2.gz LTRQAPMQPOPELY-SECBINFHSA-N 2 0 265.317 -0.229 20 0 CBADRP c1nc2c(c(N[C@H]3COCCC34C[NH2+]C4)n1)CC[NH2+]CC2 ZINC001155461390 815285982 /nfs/dbraw/zinc/28/59/82/815285982.db2.gz DGXHPLKFKDFBRP-ZDUSSCGKSA-N 2 0 289.383 -0.045 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ncnc3c2CC[NH2+]CC3)N1 ZINC001155568657 815292354 /nfs/dbraw/zinc/29/23/54/815292354.db2.gz BDDFOBDBBAJCSW-SMDDNHRTSA-N 2 0 288.355 -0.845 20 0 CBADRP Cc1nc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)cc(N(C)C)[nH+]1 ZINC001155571870 815295274 /nfs/dbraw/zinc/29/52/74/815295274.db2.gz VSIUNQROEXQYBA-NOZJJQNGSA-N 2 0 276.344 -0.159 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cc3c(nn2)CC[NH2+]C3)N1 ZINC001155574248 815296672 /nfs/dbraw/zinc/29/66/72/815296672.db2.gz FVTYRWHIKSKYEQ-ZWNOBZJWSA-N 2 0 274.328 -0.888 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155790654 815310733 /nfs/dbraw/zinc/31/07/33/815310733.db2.gz LLPALFHWSAMVJE-NEPJUHHUSA-N 2 0 273.377 -0.816 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001155790306 815310857 /nfs/dbraw/zinc/31/08/57/815310857.db2.gz JRDKIVNLDDRKPN-NSHDSACASA-N 2 0 291.417 -0.779 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001155790693 815311077 /nfs/dbraw/zinc/31/10/77/815311077.db2.gz MDQBPPMNWXDRNA-ZJUUUORDSA-N 2 0 256.350 -0.950 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001155789926 815311311 /nfs/dbraw/zinc/31/13/11/815311311.db2.gz HZABVJIJQOQEEJ-LBPRGKRZSA-N 2 0 282.388 -0.545 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])C(=O)c1cccc2c[nH+]cn21 ZINC001155787393 815311505 /nfs/dbraw/zinc/31/15/05/815311505.db2.gz YNJJTDNZDVOIQA-UHFFFAOYSA-N 2 0 282.325 -0.305 20 0 CBADRP CN1CCC[C@H]([NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001155791631 815312501 /nfs/dbraw/zinc/31/25/01/815312501.db2.gz YFRYIODFEVTMEO-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001155814098 815314184 /nfs/dbraw/zinc/31/41/84/815314184.db2.gz VGAVKFFHUSWQJJ-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCn1cncn1 ZINC001155811227 815314269 /nfs/dbraw/zinc/31/42/69/815314269.db2.gz HDIKGRNJXVSXOQ-GFCCVEGCSA-N 2 0 280.376 -0.532 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCn1cncn1 ZINC001155811236 815314334 /nfs/dbraw/zinc/31/43/34/815314334.db2.gz HDIKGRNJXVSXOQ-LBPRGKRZSA-N 2 0 280.376 -0.532 20 0 CBADRP COC(=O)[C@@]1(C)CCCN(C(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001160635878 815647587 /nfs/dbraw/zinc/64/75/87/815647587.db2.gz MKIOGVQAKZDMDM-MFKMUULPSA-N 2 0 271.361 -0.146 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086198368 810248113 /nfs/dbraw/zinc/24/81/13/810248113.db2.gz QYMJANLNGVYRSQ-WYUUTHIRSA-N 2 0 282.388 -0.846 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086198369 810248460 /nfs/dbraw/zinc/24/84/60/810248460.db2.gz QYMJANLNGVYRSQ-YFKTTZPYSA-N 2 0 282.388 -0.846 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001086272211 810253586 /nfs/dbraw/zinc/25/35/86/810253586.db2.gz YCDKMSRSIHUXDH-FVCCEPFGSA-N 2 0 294.399 -0.689 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001086270788 810254007 /nfs/dbraw/zinc/25/40/07/810254007.db2.gz UDKAAJGLMQKUMG-UTUOFQBUSA-N 2 0 255.362 -0.585 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001086324788 810260740 /nfs/dbraw/zinc/26/07/40/810260740.db2.gz NLDVMKVOWUBUIO-IJLUTSLNSA-N 2 0 255.362 -0.443 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086328034 810261258 /nfs/dbraw/zinc/26/12/58/810261258.db2.gz YIWBXRAGOLWRLZ-DCAQKATOSA-N 2 0 268.361 -0.950 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001086402222 810266809 /nfs/dbraw/zinc/26/68/09/810266809.db2.gz MUIDTEIIVKIPCB-LPWJVIDDSA-N 2 0 296.415 -0.171 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086402316 810267036 /nfs/dbraw/zinc/26/70/36/810267036.db2.gz PQTGOENBHYRSRP-IJLUTSLNSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086534304 810276880 /nfs/dbraw/zinc/27/68/80/810276880.db2.gz AFNVMSDSWYEFHH-JHJVBQTASA-N 2 0 281.400 -0.053 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001086552237 810278571 /nfs/dbraw/zinc/27/85/71/810278571.db2.gz ZLMNRZXPYOJWNS-BJDJZHNGSA-N 2 0 282.388 -0.704 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001086550856 810279478 /nfs/dbraw/zinc/27/94/78/810279478.db2.gz YCDKMSRSIHUXDH-LPWJVIDDSA-N 2 0 294.399 -0.689 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC001086793711 810285761 /nfs/dbraw/zinc/28/57/61/810285761.db2.gz HXXUIFVOWGUAQM-WCQYABFASA-N 2 0 296.415 -0.312 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086854324 810286876 /nfs/dbraw/zinc/28/68/76/810286876.db2.gz SHMZDPGGANVWJW-NWDGAFQWSA-N 2 0 294.399 -0.558 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCO)CC[C@@H]2C1 ZINC001087908503 810314042 /nfs/dbraw/zinc/31/40/42/810314042.db2.gz DZVOXPFKEFEIGA-HZSPNIEDSA-N 2 0 281.400 -0.147 20 0 CBADRP NC(=O)C[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001088426222 810329566 /nfs/dbraw/zinc/32/95/66/810329566.db2.gz OBMGMDMESPNOMK-ZDUSSCGKSA-N 2 0 296.415 -0.072 20 0 CBADRP COC(=O)C1(Nc2ncc3c(n2)CC[NH2+]C3)CC[NH2+]CC1 ZINC001156529953 815364468 /nfs/dbraw/zinc/36/44/68/815364468.db2.gz YEIRRJYNOJOMSS-UHFFFAOYSA-N 2 0 291.355 -0.171 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCO ZINC001088981187 810370247 /nfs/dbraw/zinc/37/02/47/810370247.db2.gz GZGYBTDJHNNJNN-UPJWGTAASA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCO ZINC001088981186 810370873 /nfs/dbraw/zinc/37/08/73/810370873.db2.gz GZGYBTDJHNNJNN-AGIUHOORSA-N 2 0 269.389 -0.101 20 0 CBADRP COC(=O)C1(Nc2cc(C[NH3+])ncn2)CC[NH2+]CC1 ZINC001156529943 815365006 /nfs/dbraw/zinc/36/50/06/815365006.db2.gz XMUUXDLFBPDGRX-UHFFFAOYSA-N 2 0 265.317 -0.358 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@H]2O)CC1 ZINC001090539505 810519910 /nfs/dbraw/zinc/51/99/10/810519910.db2.gz YKLARNPZTKUAKN-UONOGXRCSA-N 2 0 299.415 -0.738 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCO)C[C@@H]2O)C1 ZINC001090572669 810528605 /nfs/dbraw/zinc/52/86/05/810528605.db2.gz HVHOQFBZOBJXIK-STQMWFEESA-N 2 0 299.415 -0.738 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001091027188 810586529 /nfs/dbraw/zinc/58/65/29/810586529.db2.gz ZPZSEYZDXXCHPW-WXRRBKDZSA-N 2 0 296.415 -0.171 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001091365226 810604213 /nfs/dbraw/zinc/60/42/13/810604213.db2.gz UDKAAJGLMQKUMG-MOENNCHZSA-N 2 0 255.362 -0.585 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1-c1cc2c(nn1)CC[NH2+]C2 ZINC001156830210 815383249 /nfs/dbraw/zinc/38/32/49/815383249.db2.gz CQTLJCSOSZQSPQ-UHFFFAOYSA-N 2 0 271.328 -0.445 20 0 CBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092505046 810631082 /nfs/dbraw/zinc/63/10/82/810631082.db2.gz FTAKNHYUJDOUEC-UTUOFQBUSA-N 2 0 282.388 -0.750 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092510578 810631898 /nfs/dbraw/zinc/63/18/98/810631898.db2.gz TTXUDYPNWJFDEJ-JHJVBQTASA-N 2 0 269.389 -0.243 20 0 CBADRP CC[NH2+]Cc1cn(C2CN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001093343910 810652552 /nfs/dbraw/zinc/65/25/52/810652552.db2.gz WQLNEDUGTOGXPJ-UHFFFAOYSA-N 2 0 292.387 -0.133 20 0 CBADRP [NH3+]CCc1ccn(-c2ncnc3c2CC[NH2+]CC3)n1 ZINC001156898439 815388815 /nfs/dbraw/zinc/38/88/15/815388815.db2.gz LYERAHXXKBKAQX-UHFFFAOYSA-N 2 0 258.329 -0.148 20 0 CBADRP C[NH2+]CCNc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001156891466 815388938 /nfs/dbraw/zinc/38/89/38/815388938.db2.gz YHVFSPOCVBJAFV-UHFFFAOYSA-N 2 0 299.400 -0.800 20 0 CBADRP CN1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCO)C1 ZINC001096914533 810789582 /nfs/dbraw/zinc/78/95/82/810789582.db2.gz XNLHWTKHQLBUOZ-NDBYEHHHSA-N 2 0 283.372 -0.969 20 0 CBADRP COCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN(C)CCO1)C2 ZINC001096914565 810789888 /nfs/dbraw/zinc/78/98/88/810789888.db2.gz YVFJWWYYKXVHIF-YIYPIFLZSA-N 2 0 297.399 -0.315 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCO)C3)C1 ZINC001099161170 810866765 /nfs/dbraw/zinc/86/67/65/810866765.db2.gz ZBQSQQQHGJNOKI-YDHLFZDLSA-N 2 0 281.400 -0.099 20 0 CBADRP NC(=O)c1ccc(NC(=[NH2+])NCCCC[NH3+])nc1 ZINC001157093530 815404030 /nfs/dbraw/zinc/40/40/30/815404030.db2.gz FKTDFGWGFIWGEW-UHFFFAOYSA-N 2 0 250.306 -0.144 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])Nc1ncnc2c1CC[NH2+]C2 ZINC001157094179 815404293 /nfs/dbraw/zinc/40/42/93/815404293.db2.gz MDLPKYJIVNZBJE-UHFFFAOYSA-N 3 0 263.349 -0.203 20 0 CBADRP O=C(NCc1cc2n(n1)CCCO2)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157082064 815404453 /nfs/dbraw/zinc/40/44/53/815404453.db2.gz GZOWPUMSMXMHGY-NSHDSACASA-N 2 0 291.355 -0.909 20 0 CBADRP NS(=O)(=O)c1ccnc(NC(=[NH2+])NCCCC[NH3+])c1 ZINC001157100060 815404774 /nfs/dbraw/zinc/40/47/74/815404774.db2.gz YDJNQQNRZLLQTK-UHFFFAOYSA-N 2 0 286.361 -0.596 20 0 CBADRP CN(C)C(=O)c1cncc(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001157099215 815405542 /nfs/dbraw/zinc/40/55/42/815405542.db2.gz LBGRACFUSZPSDQ-UHFFFAOYSA-N 2 0 279.348 -0.146 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])Nc1cc(C2C[NH2+]C2)ncn1 ZINC001157102114 815405548 /nfs/dbraw/zinc/40/55/48/815405548.db2.gz VCCBSZKLXUSSDR-UHFFFAOYSA-N 3 0 263.349 -0.161 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@@H]2O)CCC1 ZINC001099874185 810959002 /nfs/dbraw/zinc/95/90/02/810959002.db2.gz HIJMWXJTNWCECQ-OLZOCXBDSA-N 2 0 299.415 -0.596 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CCO)C[C@H]1O ZINC001099898426 810962080 /nfs/dbraw/zinc/96/20/80/810962080.db2.gz BGNJIANNVCMGFU-NWDGAFQWSA-N 2 0 287.404 -0.740 20 0 CBADRP COCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986907 810985607 /nfs/dbraw/zinc/98/56/07/810985607.db2.gz REDPXZNCAPGSHP-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001099986965 810985680 /nfs/dbraw/zinc/98/56/80/810985680.db2.gz RTDYQOSLTTWFOM-OLZOCXBDSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCCO)C[C@H]1O ZINC001100067452 811010243 /nfs/dbraw/zinc/01/02/43/811010243.db2.gz RRZZLQOURMOEBX-CHWSQXEVSA-N 2 0 287.404 -0.738 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCO)C[C@H]1O ZINC001100083262 811018317 /nfs/dbraw/zinc/01/83/17/811018317.db2.gz PETPVYGRKPPADL-QWHCGFSZSA-N 2 0 287.404 -0.738 20 0 CBADRP COCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100109920 811023226 /nfs/dbraw/zinc/02/32/26/811023226.db2.gz MSEGGPRHCKCMJK-KBPBESRZSA-N 2 0 299.415 -0.330 20 0 CBADRP CN(C)C(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001100185760 811034045 /nfs/dbraw/zinc/03/40/45/811034045.db2.gz NDYSOOIYFFKIEN-BPCQOVAHSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH+](C)CCC(=O)NCC1CC([NH2+][C@H]2CCCNC2=O)C1 ZINC001100637376 811069601 /nfs/dbraw/zinc/06/96/01/811069601.db2.gz PEABLVKMFZDREP-BPCQOVAHSA-N 2 0 296.415 -0.299 20 0 CBADRP Cn1ncnc1C[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100636882 811070219 /nfs/dbraw/zinc/07/02/19/811070219.db2.gz PYXTVESTTVIKFL-UHFFFAOYSA-N 2 0 294.403 -0.249 20 0 CBADRP Cn1ncc(C[NH2+]C2CC(CNC(=O)CC[NH+](C)C)C2)n1 ZINC001100636883 811070305 /nfs/dbraw/zinc/07/03/05/811070305.db2.gz PZIMDOUPZSVTLC-UHFFFAOYSA-N 2 0 294.403 -0.249 20 0 CBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001100673875 811071624 /nfs/dbraw/zinc/07/16/24/811071624.db2.gz CXGAOHXXGIBBCV-HIFPTAJRSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001100673876 811072011 /nfs/dbraw/zinc/07/20/11/811072011.db2.gz CXGAOHXXGIBBCV-PNESKVBLSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]CC(=O)NC)C1 ZINC001100827752 811081497 /nfs/dbraw/zinc/08/14/97/811081497.db2.gz SEYVCENKQSBQSU-UHFFFAOYSA-N 2 0 284.404 -0.441 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]CC(=O)NCC)C1 ZINC001100901701 811084233 /nfs/dbraw/zinc/08/42/33/811084233.db2.gz JTKNFTDBZZWWBJ-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP NC(=O)C[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001101024894 811090878 /nfs/dbraw/zinc/09/08/78/811090878.db2.gz LAAYVGLLMICEDB-UHFFFAOYSA-N 2 0 296.415 -0.168 20 0 CBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001101036346 811091090 /nfs/dbraw/zinc/09/10/90/811091090.db2.gz NSRGFVBVPWERON-UHFFFAOYSA-N 2 0 284.404 -0.443 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001101035941 811091190 /nfs/dbraw/zinc/09/11/90/811091190.db2.gz FRUKKKRCINVGMT-HIFPTAJRSA-N 2 0 298.431 -0.055 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1CC([NH2+]CCO)C1 ZINC001101037597 811091437 /nfs/dbraw/zinc/09/14/37/811091437.db2.gz UIQZMBJEXMIXFE-UHFFFAOYSA-N 2 0 257.378 -0.197 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001157323311 815423271 /nfs/dbraw/zinc/42/32/71/815423271.db2.gz OLSLUXVETQQJAB-DCAQKATOSA-N 2 0 288.367 -0.564 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C)[NH+](C)C ZINC001102070542 811146550 /nfs/dbraw/zinc/14/65/50/811146550.db2.gz MBRMAKBRZIEYSY-BZPMIXESSA-N 2 0 298.431 -0.258 20 0 CBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102319103 811152743 /nfs/dbraw/zinc/15/27/43/811152743.db2.gz ZJARFKGTCRVALP-GHMZBOCLSA-N 2 0 270.377 -0.893 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320780 811152893 /nfs/dbraw/zinc/15/28/93/811152893.db2.gz SRPJTDHMJINISH-JHJVBQTASA-N 2 0 298.431 -0.243 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CC(N)=O ZINC001104000061 811193102 /nfs/dbraw/zinc/19/31/02/811193102.db2.gz UWELACVRCBGTHV-JHJVBQTASA-N 2 0 296.415 -0.360 20 0 CBADRP N=C(NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)n1nnc2ccccc21 ZINC001157420816 815431451 /nfs/dbraw/zinc/43/14/51/815431451.db2.gz AOPPEWLRUFFMMT-VIFPVBQESA-N 2 0 299.338 -0.861 20 0 CBADRP C[C@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)[C@@H]1CCCO1 ZINC001157422490 815431566 /nfs/dbraw/zinc/43/15/66/815431566.db2.gz HNCWZKRZXJSHEX-AXFHLTTASA-N 2 0 253.346 -0.521 20 0 CBADRP C[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])[C@@H]1CCCO1 ZINC001157421907 815431584 /nfs/dbraw/zinc/43/15/84/815431584.db2.gz CIIQFXIJNDDAMH-GUBZILKMSA-N 2 0 261.391 -0.311 20 0 CBADRP C[C@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)[C@@H]1CCCO1 ZINC001157422491 815432011 /nfs/dbraw/zinc/43/20/11/815432011.db2.gz HNCWZKRZXJSHEX-DCAQKATOSA-N 2 0 253.346 -0.521 20 0 CBADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1)[NH+](C)C ZINC001106312595 811304250 /nfs/dbraw/zinc/30/42/50/811304250.db2.gz KDMJIBDWBNMOBL-IJLUTSLNSA-N 2 0 284.404 -0.504 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001106250233 811304521 /nfs/dbraw/zinc/30/45/21/811304521.db2.gz YXOYHZWKCDXMFE-QKCSRTOESA-N 2 0 296.415 -0.504 20 0 CBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001106599228 811311127 /nfs/dbraw/zinc/31/11/27/811311127.db2.gz DYQGWNIUMGHONJ-FRRDWIJNSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106592365 811311201 /nfs/dbraw/zinc/31/12/01/811311201.db2.gz POWZIKLJXNCLSK-VXGBXAGGSA-N 2 0 296.415 -0.502 20 0 CBADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106665122 811313315 /nfs/dbraw/zinc/31/33/15/811313315.db2.gz INTLRDKSHTVQGK-JHJVBQTASA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C2)C1 ZINC001106666807 811313753 /nfs/dbraw/zinc/31/37/53/811313753.db2.gz WIVQEBBODQURKJ-YNEHKIRRSA-N 2 0 296.415 -0.502 20 0 CBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(N)=O)[C@H](C)C1 ZINC001106783477 811316779 /nfs/dbraw/zinc/31/67/79/811316779.db2.gz RGPPRWKJSXOWCL-FRRDWIJNSA-N 2 0 298.431 -0.114 20 0 CBADRP COCC1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001157521815 815441096 /nfs/dbraw/zinc/44/10/96/815441096.db2.gz MATUDLRNLRQRHU-DGCLKSJQSA-N 2 0 253.346 -0.710 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@H]2C[NH2+]CC23CCOCC3)C[C@H]1F ZINC001157536783 815442604 /nfs/dbraw/zinc/44/26/04/815442604.db2.gz QYCGZLGTHDZRMJ-MXWKQRLJSA-N 2 0 271.336 -0.490 20 0 CBADRP CN(CC(=O)N1C[C@@H](F)[C@@H]([NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC001157538068 815443495 /nfs/dbraw/zinc/44/34/95/815443495.db2.gz GYHXTKWMBNMUQE-AXFHLTTASA-N 2 0 258.341 -0.822 20 0 CBADRP C[NH+]1CCN(c2ccc(N3C[C@@H]4C[NH2+][C@@H]4C3)nn2)CC1 ZINC001157619816 815448372 /nfs/dbraw/zinc/44/83/72/815448372.db2.gz NMZCEQDEIWWUOT-NWDGAFQWSA-N 2 0 274.372 -0.364 20 0 CBADRP COC(=O)[C@H]1C[C@H](C(=O)N2CC(C)([NH3+])C2)CCN1 ZINC001157644693 815450601 /nfs/dbraw/zinc/45/06/01/815450601.db2.gz VSZXOARXVOQLSF-RKDXNWHRSA-N 2 0 255.318 -0.913 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@H]2CCCCN2[C@@H]2CC[NH2+]C2)C1 ZINC001157650923 815450712 /nfs/dbraw/zinc/45/07/12/815450712.db2.gz HLTABIRYQNITKR-VXGBXAGGSA-N 2 0 266.389 -0.238 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC([NH+](C)C)C1 ZINC001157688834 815452691 /nfs/dbraw/zinc/45/26/91/815452691.db2.gz KMVHLNGETNLRPF-CABZTGNLSA-N 2 0 270.377 -0.752 20 0 CBADRP CN(Cc1ncccn1)C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001157681433 815452806 /nfs/dbraw/zinc/45/28/06/815452806.db2.gz HXENQCNBIAQGJC-GFCCVEGCSA-N 2 0 263.345 -0.238 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC([NH+](C)C)C1 ZINC001157689772 815454512 /nfs/dbraw/zinc/45/45/12/815454512.db2.gz XXWJFXBJOVVDTI-LBPRGKRZSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CCCO1 ZINC001157704223 815454658 /nfs/dbraw/zinc/45/46/58/815454658.db2.gz VOSDCUQFZNZNMJ-UWVGGRQHSA-N 2 0 261.391 -0.357 20 0 CBADRP COC1(C)CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001157689247 815454717 /nfs/dbraw/zinc/45/47/17/815454717.db2.gz QVQDEZORMASEBZ-NSHDSACASA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@H]1CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCCO1 ZINC001157702891 815454760 /nfs/dbraw/zinc/45/47/60/815454760.db2.gz FUHFRIMGPSYCCN-CMPLNLGQSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC001157715828 815455345 /nfs/dbraw/zinc/45/53/45/815455345.db2.gz IQTXHSZJUSFRAC-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP COCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277517 811542739 /nfs/dbraw/zinc/54/27/39/811542739.db2.gz VZBAMEXNUVIBSJ-MCIONIFRSA-N 2 0 299.415 -0.068 20 0 CBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO ZINC001111279940 811543855 /nfs/dbraw/zinc/54/38/55/811543855.db2.gz LUZOYLDPZJPRQE-MCIONIFRSA-N 2 0 299.415 -0.332 20 0 CBADRP COC(=O)[C@]1(F)CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001157717007 815456669 /nfs/dbraw/zinc/45/66/69/815456669.db2.gz WCMKOTWKBZEPMI-GWCFXTLKSA-N 2 0 287.335 -0.573 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@@H](F)C[C@H](CO)C1 ZINC001157728751 815456770 /nfs/dbraw/zinc/45/67/70/815456770.db2.gz AGZUFNRJLLOAEZ-GUBZILKMSA-N 2 0 279.381 -0.816 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001157720360 815456807 /nfs/dbraw/zinc/45/68/07/815456807.db2.gz HNJVWEHMLSJSBE-TYUFSLCMSA-N 2 0 285.388 -0.688 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861466 811558687 /nfs/dbraw/zinc/55/86/87/811558687.db2.gz OPTPJQSURZYDBZ-HUBLWGQQSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)C[C@H]1C[NH2+]CCO1 ZINC001157717331 815457102 /nfs/dbraw/zinc/45/71/02/815457102.db2.gz ZMBYRKGQNRDHSR-QJPTWQEYSA-N 2 0 255.362 -0.179 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001157746300 815461589 /nfs/dbraw/zinc/46/15/89/815461589.db2.gz PNRYVDNUNKZHCM-UMNHJUIQSA-N 2 0 259.325 -0.754 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)C=C1CC[NH2+]CC1 ZINC001157721435 815457269 /nfs/dbraw/zinc/45/72/69/815457269.db2.gz XVIOYXBAHFWKSL-LBPRGKRZSA-N 2 0 253.346 -0.257 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H](F)C[C@H](CO)C1 ZINC001157731537 815459029 /nfs/dbraw/zinc/45/90/29/815459029.db2.gz VVVXLNCNTXBJIU-SRVKXCTJSA-N 2 0 275.368 -0.118 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@H](F)C(=O)C1 ZINC001157730735 815459064 /nfs/dbraw/zinc/45/90/64/815459064.db2.gz RPBJMZYLGNAOTE-ZJUUUORDSA-N 2 0 269.320 -0.675 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157740633 815460199 /nfs/dbraw/zinc/46/01/99/815460199.db2.gz PLHFQBLRDQNFRF-MFKMUULPSA-N 2 0 289.351 -0.054 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157739424 815460408 /nfs/dbraw/zinc/46/04/08/815460408.db2.gz HGVJEWORQSXBPV-ZYHUDNBSSA-N 3 0 260.357 -0.268 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC001157739124 815460500 /nfs/dbraw/zinc/46/05/00/815460500.db2.gz FROFNUUORYLKPQ-FOGDFJRCSA-N 2 0 259.325 -0.611 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC[C@@](O)(CF)CC1 ZINC001157780415 815465748 /nfs/dbraw/zinc/46/57/48/815465748.db2.gz FICHUDMXYQLTAV-PWSUYJOCSA-N 2 0 261.341 -0.234 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157809641 815468330 /nfs/dbraw/zinc/46/83/30/815468330.db2.gz CQMQFTUFRWUFJR-WXHSDQCUSA-N 2 0 284.404 -0.184 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C[C@@H]1[NH3+] ZINC001157792868 815467456 /nfs/dbraw/zinc/46/74/56/815467456.db2.gz FTNTZEZWFXZOPB-MIMYLULJSA-N 2 0 251.334 -0.525 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@@H]3CCO[C@H]32)C[C@@H]1[NH3+] ZINC001157810313 815468589 /nfs/dbraw/zinc/46/85/89/815468589.db2.gz LGXAJGHTLPCQDQ-RXGFPQBGSA-N 2 0 267.373 -0.193 20 0 CBADRP C[C@@H]1CCN(C(=O)C[C@H]2C[C@H]3C[NH2+]C[C@H]3O2)C[C@@H]1[NH3+] ZINC001157799910 815468802 /nfs/dbraw/zinc/46/88/02/815468802.db2.gz UMQVYMALEVKYFQ-RXGFPQBGSA-N 2 0 267.373 -0.051 20 0 CBADRP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001157840610 815470410 /nfs/dbraw/zinc/47/04/10/815470410.db2.gz BZRZSOVEKPHAFJ-TUAOUCFPSA-N 2 0 282.388 -0.478 20 0 CBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001157843289 815470472 /nfs/dbraw/zinc/47/04/72/815470472.db2.gz QCFMAPADFNSHIK-MDZLAQPJSA-N 2 0 254.378 -0.347 20 0 CBADRP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)C1(N)CC[NH2+]CC1 ZINC001157843063 815470542 /nfs/dbraw/zinc/47/05/42/815470542.db2.gz OTCXNMZAUKEZBH-QWRGUYRKSA-N 2 0 254.378 -0.347 20 0 CBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001157843444 815471087 /nfs/dbraw/zinc/47/10/87/815471087.db2.gz RAGQFCVCIZCDDI-OUAUKWLOSA-N 2 0 285.392 -0.652 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH3+])[C@H]1C ZINC001157844250 815471182 /nfs/dbraw/zinc/47/11/82/815471182.db2.gz VKPWWXUZBUHDAB-MIMYLULJSA-N 2 0 257.334 -0.537 20 0 CBADRP C[C@H]1C[C@@H](CO)N(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001157853364 815471719 /nfs/dbraw/zinc/47/17/19/815471719.db2.gz AEQYEASVHWSGIL-DLOVCJGASA-N 2 0 255.362 -0.457 20 0 CBADRP C[C@H]1C[C@@H](CO)N(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001157853430 815472225 /nfs/dbraw/zinc/47/22/25/815472225.db2.gz CDRLAZMKUOSAFL-GUBZILKMSA-N 2 0 261.391 -0.765 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC001114483950 811752053 /nfs/dbraw/zinc/75/20/53/811752053.db2.gz OTGACRHEVVPTNS-GDNZZTSVSA-N 2 0 269.389 -0.245 20 0 CBADRP COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001114678117 811760894 /nfs/dbraw/zinc/76/08/94/811760894.db2.gz JAOKXNLFYQNYQM-RGDJUOJXSA-N 2 0 297.399 -0.866 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C[C@@H]1[NH3+] ZINC001157803814 815468474 /nfs/dbraw/zinc/46/84/74/815468474.db2.gz KXYKMECWIAVZRD-BAYCZWEQSA-N 2 0 261.391 -0.722 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157887347 815476539 /nfs/dbraw/zinc/47/65/39/815476539.db2.gz SQOCRCVMLLNFRN-LBPRGKRZSA-N 2 0 284.404 -0.299 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC[C@@](C)(O)[C@@H](F)C1 ZINC001157889057 815477022 /nfs/dbraw/zinc/47/70/22/815477022.db2.gz IFPCJFWSCHUXKF-GMXVVIOVSA-N 2 0 284.335 -0.389 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157899601 815477628 /nfs/dbraw/zinc/47/76/28/815477628.db2.gz AJUBCBVSSQCDAV-JTQLQIEISA-N 2 0 291.342 -0.196 20 0 CBADRP C[C@@]1(O)CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]1F ZINC001157900352 815477840 /nfs/dbraw/zinc/47/78/40/815477840.db2.gz IPHZXMJAXNXEHM-JBLDHEPKSA-N 2 0 261.341 -0.236 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCO ZINC001157899113 815477915 /nfs/dbraw/zinc/47/79/15/815477915.db2.gz KAEKLHWCBORJGH-GFCCVEGCSA-N 2 0 257.378 -0.053 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@H](CO)CC(F)(F)C1 ZINC001157900579 815477999 /nfs/dbraw/zinc/47/79/99/815477999.db2.gz MSXCBOCLTWNQCP-BDAKNGLRSA-N 2 0 265.304 -0.471 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@H](CO)CC(F)(F)C1 ZINC001157900876 815479556 /nfs/dbraw/zinc/47/95/56/815479556.db2.gz UGSPQJGGYXCQFB-BDAKNGLRSA-N 2 0 297.371 -0.518 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCc2[nH]cnc2C1)C1CC[NH2+]CC1 ZINC001157922636 815483163 /nfs/dbraw/zinc/48/31/63/815483163.db2.gz TVVPCXIWRLCFAA-GFCCVEGCSA-N 2 0 263.345 -0.379 20 0 CBADRP O=C(N1CCC[C@@](F)(CO)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157935042 815487353 /nfs/dbraw/zinc/48/73/53/815487353.db2.gz QLLVIXVPKIHWOS-VHDGCEQUSA-N 2 0 299.390 -0.101 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCNCC(F)(F)C1 ZINC001157947333 815490964 /nfs/dbraw/zinc/49/09/64/815490964.db2.gz SNGVOUQAOXISCE-QMMMGPOBSA-N 2 0 282.360 -0.927 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157971473 815492623 /nfs/dbraw/zinc/49/26/23/815492623.db2.gz YVFLFPKSDRIGIZ-STQMWFEESA-N 2 0 262.357 -0.164 20 0 CBADRP [NH3+][C@@H]1CCc2nn(-c3ccc(N4CC[NH2+]CC4)nn3)cc2C1 ZINC001157979432 815493274 /nfs/dbraw/zinc/49/32/74/815493274.db2.gz FFDLJTDZXKXZSH-GFCCVEGCSA-N 2 0 299.382 -0.112 20 0 CBADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157966984 815493280 /nfs/dbraw/zinc/49/32/80/815493280.db2.gz AVNGBFHIPNFSKR-MGPQQGTHSA-N 2 0 275.352 -0.260 20 0 CBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157970970 815493680 /nfs/dbraw/zinc/49/36/80/815493680.db2.gz UJODGUYVTUTDAK-MGPQQGTHSA-N 2 0 275.352 -0.118 20 0 CBADRP Cc1nc(CCN(C)C(=O)[C@@H]([NH3+])CCCC[NH3+])no1 ZINC001157983349 815494604 /nfs/dbraw/zinc/49/46/04/815494604.db2.gz NQVBLGWPOGYRTP-JTQLQIEISA-N 2 0 269.349 -0.165 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC[C@@](F)(CO)CC1 ZINC001157935283 815488816 /nfs/dbraw/zinc/48/88/16/815488816.db2.gz SXVAHPYJRWEITE-PWSUYJOCSA-N 2 0 261.341 -0.234 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCNCC(F)(F)C1 ZINC001157943645 815490126 /nfs/dbraw/zinc/49/01/26/815490126.db2.gz DNAVRZKAOWGUBU-JTQLQIEISA-N 2 0 278.347 -0.100 20 0 CBADRP CN(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)[C@H]1CC[C@H](O)CC1 ZINC001157988822 815495553 /nfs/dbraw/zinc/49/55/53/815495553.db2.gz ISXLURBMUHAFDK-SRVKXCTJSA-N 2 0 267.373 -0.443 20 0 CBADRP CN(C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)[C@H]1CC[C@H](O)CC1 ZINC001157988821 815495962 /nfs/dbraw/zinc/49/59/62/815495962.db2.gz ISXLURBMUHAFDK-IJLUTSLNSA-N 2 0 267.373 -0.443 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158029237 815499302 /nfs/dbraw/zinc/49/93/02/815499302.db2.gz GTSTXENVLAHXQO-STQMWFEESA-N 2 0 296.415 -0.297 20 0 CBADRP O=C(C1CC[NH2+]CC1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071072 815500472 /nfs/dbraw/zinc/50/04/72/815500472.db2.gz TYBGFKWXLPZHAH-UHFFFAOYSA-N 2 0 267.373 -0.033 20 0 CBADRP CC(C)(C(=O)NCCC[NH2+]CC(N)=O)[NH+]1CCCCC1 ZINC001158073456 815500588 /nfs/dbraw/zinc/50/05/88/815500588.db2.gz NXRIMKAZURIFQI-UHFFFAOYSA-N 2 0 284.404 -0.168 20 0 CBADRP [NH3+]Cc1nnnn1-c1nc(Cl)nc2c1CC[NH2+]C2 ZINC001158075378 815502038 /nfs/dbraw/zinc/50/20/38/815502038.db2.gz WHLRAYXOAAKRIR-UHFFFAOYSA-N 2 0 266.696 -0.790 20 0 CBADRP NC1(C(=O)N2CCOC3(CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC001158077778 815503181 /nfs/dbraw/zinc/50/31/81/815503181.db2.gz XGVSZWZBZMBNPX-UHFFFAOYSA-N 2 0 282.388 -0.952 20 0 CBADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3N1)CC2 ZINC001158081488 815503352 /nfs/dbraw/zinc/50/33/52/815503352.db2.gz DSFOUFGKPXOHOE-WCFLWFBJSA-N 2 0 278.400 -0.334 20 0 CBADRP CC(C)C[C@@](C)([NH3+])C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101279 815504042 /nfs/dbraw/zinc/50/40/42/815504042.db2.gz JENLZDLSBSYFIN-ZIAGYGMSSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)C1 ZINC001158091877 815504275 /nfs/dbraw/zinc/50/42/75/815504275.db2.gz JEINIJRSNJUDAR-JTNHKYCSSA-N 2 0 280.372 -0.935 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]C1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158092177 815504439 /nfs/dbraw/zinc/50/44/39/815504439.db2.gz LTDRAUBCBRCRIH-BXUZGUMPSA-N 2 0 280.372 -0.933 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091743 815504491 /nfs/dbraw/zinc/50/44/91/815504491.db2.gz HVANCOZGPCIVDO-MISXGVKJSA-N 2 0 280.372 -0.935 20 0 CBADRP C[C@]1(C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CCC[NH2+]1 ZINC001158122173 815505416 /nfs/dbraw/zinc/50/54/16/815505416.db2.gz ZRWLQCWOPNSDES-UKRRQHHQSA-N 2 0 292.383 -0.933 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750899 812156860 /nfs/dbraw/zinc/15/68/60/812156860.db2.gz QNYSXTWDBYSXDY-CZXHOFHRSA-N 2 0 296.415 -0.362 20 0 CBADRP O=C(N1CCC[C@@]12CCC[NH2+]C2)[C@]12C[NH2+]C[C@H]1COC2 ZINC001158161280 815506845 /nfs/dbraw/zinc/50/68/45/815506845.db2.gz OUVZMDQEVWDUTD-CFVMTHIKSA-N 2 0 279.384 -0.033 20 0 CBADRP O=C([C@H]1C[NH2+]CCN1)N1CCC[C@]12CCC[NH2+]C2 ZINC001158162437 815506944 /nfs/dbraw/zinc/50/69/44/815506944.db2.gz XLIVVSMPKDRIQJ-YPMHNXCESA-N 2 0 252.362 -0.708 20 0 CBADRP N[C@@]1(C(=O)N2CCC[C@@]23CCC[NH2+]C3)CCC[NH2+]C1 ZINC001158160268 815507003 /nfs/dbraw/zinc/50/70/03/815507003.db2.gz JUOLHAOFTXYWEY-KGLIPLIRSA-N 2 0 266.389 -0.188 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)[NH+](C)C ZINC001114848473 812164879 /nfs/dbraw/zinc/16/48/79/812164879.db2.gz ACLHIBQXNMTNSG-RFQIPJPRSA-N 2 0 299.415 -0.618 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)N2CCC[C@]23CCC[NH2+]C3)C1 ZINC001158160198 815507310 /nfs/dbraw/zinc/50/73/10/815507310.db2.gz JFXZYNDNYUHAPA-GVXVVHGQSA-N 2 0 252.362 -0.580 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161621 815507411 /nfs/dbraw/zinc/50/74/11/815507411.db2.gz WKNCKPKWWJVDSJ-AAEUAGOBSA-N 3 0 254.378 -0.203 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161273 815507542 /nfs/dbraw/zinc/50/75/42/815507542.db2.gz OSAMXQQICDUIHO-GVXVVHGQSA-N 2 0 253.346 -0.546 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]21 ZINC001114996826 812171717 /nfs/dbraw/zinc/17/17/17/812171717.db2.gz FZTCSYZQCQNPNT-CIQGVGRVSA-N 2 0 296.415 -0.491 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@H]2[C@H](CC2(F)F)C1 ZINC001158192619 815511860 /nfs/dbraw/zinc/51/18/60/815511860.db2.gz AZIRTPCMMMNFMT-BBBLOLIVSA-N 2 0 271.311 -0.091 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CCOCCO)C[C@H]21 ZINC001115080891 812178577 /nfs/dbraw/zinc/17/85/77/812178577.db2.gz HGGWMIYUSMAYPH-NHAGDIPZSA-N 2 0 299.415 -0.617 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC001115156708 812181685 /nfs/dbraw/zinc/18/16/85/812181685.db2.gz TZOFNRHDNLEIMV-IMRBUKKESA-N 2 0 269.389 -0.243 20 0 CBADRP CC(C)[NH+]1CCN(CC(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001158199304 815512793 /nfs/dbraw/zinc/51/27/93/815512793.db2.gz SVIVOGBSSOXNGZ-UONOGXRCSA-N 2 0 280.416 -0.025 20 0 CBADRP C[NH+](C)CCC(=O)NCC1([NH2+]CC(N)=O)CCCCC1 ZINC001115707907 812202080 /nfs/dbraw/zinc/20/20/80/812202080.db2.gz CKKFRLJZGHJWJR-UHFFFAOYSA-N 2 0 284.404 -0.168 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158208170 815513983 /nfs/dbraw/zinc/51/39/83/815513983.db2.gz OICWINJHKDRFOE-HZLNVJGASA-N 2 0 259.375 -0.955 20 0 CBADRP [NH3+][C@H]1CCCCN(CC(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)C1=O ZINC001158208000 815514067 /nfs/dbraw/zinc/51/40/67/815514067.db2.gz IMYOEMNYOCHOOI-SDDRHHMPSA-N 2 0 280.372 -0.711 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167930 815508483 /nfs/dbraw/zinc/50/84/83/815508483.db2.gz PIOJBQGSSYVBEW-QNWHQSFQSA-N 2 0 267.373 -0.179 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170200 815509405 /nfs/dbraw/zinc/50/94/05/815509405.db2.gz WVRXBSCUHQOKBJ-QWRGUYRKSA-N 2 0 252.362 -0.722 20 0 CBADRP N[C@@]1(C(=O)N2CCC3(CCC[NH2+]3)CC2)CCC[NH2+]C1 ZINC001158170091 815509543 /nfs/dbraw/zinc/50/95/43/815509543.db2.gz VJNACCZZMONKML-AWEZNQCLSA-N 2 0 266.389 -0.188 20 0 CBADRP C[C@]1(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]C1 ZINC001158180490 815510215 /nfs/dbraw/zinc/51/02/15/815510215.db2.gz XSGRUXRNYTYOQN-WZRBSPASSA-N 2 0 253.346 -0.567 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158185713 815510562 /nfs/dbraw/zinc/51/05/62/815510562.db2.gz BROXXJXTKWWZRN-BVWOZKJXSA-N 2 0 296.415 -0.186 20 0 CBADRP O=C(NCCC[NH2+]CCOCCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001158196079 815511560 /nfs/dbraw/zinc/51/15/60/815511560.db2.gz JFZBAWSIEKVYSG-CQSZACIVSA-N 2 0 299.415 -0.567 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158196984 815511784 /nfs/dbraw/zinc/51/17/84/815511784.db2.gz PRIDYSKXLYGXAJ-AAEUAGOBSA-N 2 0 296.415 -0.441 20 0 CBADRP CO[C@H]1CC[NH2+][C@@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001158216418 815515012 /nfs/dbraw/zinc/51/50/12/815515012.db2.gz ZQBCTFFMXBWKSC-NNYUYHANSA-N 2 0 253.346 -0.284 20 0 CBADRP O=C(N1CC2(C1)CCCO2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158235462 815515282 /nfs/dbraw/zinc/51/52/82/815515282.db2.gz LDVSAWCBGCFVAL-BXUZGUMPSA-N 2 0 265.357 -0.423 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158214931 815515404 /nfs/dbraw/zinc/51/54/04/815515404.db2.gz FLXZNSABEKCDOZ-RWMBFGLXSA-N 2 0 282.388 -0.417 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158327864 815520363 /nfs/dbraw/zinc/52/03/63/815520363.db2.gz PMNPTUSCLAYIRE-FPMFFAJLSA-N 2 0 275.352 -0.206 20 0 CBADRP C[NH+](C)CCn1ccc(C(=O)NCCC[NH2+]CCCO)n1 ZINC001158287636 815518278 /nfs/dbraw/zinc/51/82/78/815518278.db2.gz IBHPZILGONJEPE-UHFFFAOYSA-N 2 0 297.403 -0.463 20 0 CBADRP C[NH+](C)CCn1ccc(C(=O)NCCC[NH2+]CCO)n1 ZINC001158287221 815518384 /nfs/dbraw/zinc/51/83/84/815518384.db2.gz ACTKQCUIQKDJSB-UHFFFAOYSA-N 2 0 283.376 -0.854 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001116966145 812350619 /nfs/dbraw/zinc/35/06/19/812350619.db2.gz XYXFNIZXTKUSOC-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001158327367 815520859 /nfs/dbraw/zinc/52/08/59/815520859.db2.gz DRROZQDEEAHRQO-XYJRDEOASA-N 2 0 284.379 -0.447 20 0 CBADRP Cc1nc2c([nH]1)CCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)CC2 ZINC001158346985 815521539 /nfs/dbraw/zinc/52/15/39/815521539.db2.gz FQKGUUJFHHLWOF-CQSZACIVSA-N 2 0 291.399 -0.028 20 0 CBADRP O=C([C@H]1C[NH2+]CCN1)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158337458 815521858 /nfs/dbraw/zinc/52/18/58/815521858.db2.gz VRSFWKQFIVUSOQ-RRFJBIMHSA-N 2 0 286.379 -0.354 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@@H]2CCO[C@H]2C1 ZINC001158339730 815521877 /nfs/dbraw/zinc/52/18/77/815521877.db2.gz UKPSWLKOJBTURV-VWYCJHECSA-N 2 0 273.402 -0.357 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC001118035659 812464337 /nfs/dbraw/zinc/46/43/37/812464337.db2.gz TWVHVZZZLREPHI-VXGBXAGGSA-N 2 0 296.415 -0.027 20 0 CBADRP [NH3+][C@H](C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21)C1CC[NH2+]CC1 ZINC001158422416 815527813 /nfs/dbraw/zinc/52/78/13/815527813.db2.gz KUWJBTZHBVFVHK-TUAOUCFPSA-N 3 0 252.362 -0.724 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001118088049 812468325 /nfs/dbraw/zinc/46/83/25/812468325.db2.gz HZCBRVKUBXWSMG-DGAVXFQQSA-N 2 0 269.389 -0.496 20 0 CBADRP O=C(N1CCC[C@@H]2[NH2+]C[C@H]21)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158424344 815527968 /nfs/dbraw/zinc/52/79/68/815527968.db2.gz RPHOUZFZTKXFEZ-GFQSEFKGSA-N 3 0 264.373 -0.852 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158424499 815528239 /nfs/dbraw/zinc/52/82/39/815528239.db2.gz SBLDSMMHIFVQRB-GRYCIOLGSA-N 2 0 282.388 -0.561 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C[NH+](C)C)C[C@H]2[NH3+])cn1 ZINC001118124882 812473682 /nfs/dbraw/zinc/47/36/82/812473682.db2.gz GTSJOOSCWQKLJE-WDEREUQCSA-N 2 0 251.334 -0.765 20 0 CBADRP [NH3+]CC1CCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC001118139858 812477737 /nfs/dbraw/zinc/47/77/37/812477737.db2.gz ZFOYFBMVDMLZQY-UHFFFAOYSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+][C@H]1CCCCN(CC(=O)N2CCC[C@@H]3[NH2+]C[C@@H]32)C1=O ZINC001158424907 815528663 /nfs/dbraw/zinc/52/86/63/815528663.db2.gz URTJFFFRFXZFBQ-SRVKXCTJSA-N 2 0 280.372 -0.711 20 0 CBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158426370 815528753 /nfs/dbraw/zinc/52/87/53/815528753.db2.gz ZCBWKYBZLXIGLN-RWMBFGLXSA-N 3 0 278.400 -0.177 20 0 CBADRP CON1CCC([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001118156743 812482207 /nfs/dbraw/zinc/48/22/07/812482207.db2.gz ZJHDWQONNMJCGE-AWEZNQCLSA-N 2 0 286.420 -0.790 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC001118167811 812483360 /nfs/dbraw/zinc/48/33/60/812483360.db2.gz KKMODAPZSVGBGW-VIFPVBQESA-N 2 0 255.318 -0.769 20 0 CBADRP [NH3+]C1(c2noc(CNC(=O)[C@H]3CCC[NH2+]3)n2)CCC1 ZINC001118171859 812484984 /nfs/dbraw/zinc/48/49/84/812484984.db2.gz HYFSIIWFLJCYGB-MRVPVSSYSA-N 2 0 265.317 -0.224 20 0 CBADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001118179333 812485509 /nfs/dbraw/zinc/48/55/09/812485509.db2.gz QYUBXKWCBQFANW-AVGNSLFASA-N 2 0 268.405 -0.147 20 0 CBADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001118179335 812485899 /nfs/dbraw/zinc/48/58/99/812485899.db2.gz QYUBXKWCBQFANW-XQQFMLRXSA-N 2 0 268.405 -0.147 20 0 CBADRP C[NH+]1CCC(NC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC001118183320 812487355 /nfs/dbraw/zinc/48/73/55/812487355.db2.gz PCYAQZJEYVFARK-UHFFFAOYSA-N 2 0 280.376 -0.159 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158428351 815529262 /nfs/dbraw/zinc/52/92/62/815529262.db2.gz FOMMGUVCSZDSGW-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+][C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001158428759 815529337 /nfs/dbraw/zinc/52/93/37/815529337.db2.gz RMQJUNSBKIVSMP-IJLUTSLNSA-N 2 0 282.388 -0.689 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158426423 815529391 /nfs/dbraw/zinc/52/93/91/815529391.db2.gz ZVVMVCAOEVKSHQ-DDHJBXDOSA-N 2 0 281.356 -0.652 20 0 CBADRP C[C@]1(C2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)NC(=O)NC1=O ZINC001118198426 812491394 /nfs/dbraw/zinc/49/13/94/812491394.db2.gz MWJDJEUYSIVLOH-QMTHXVAHSA-N 2 0 280.372 -0.094 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+][C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC001158428323 815529630 /nfs/dbraw/zinc/52/96/30/815529630.db2.gz DBIKGRALPZKOGU-JHJVBQTASA-N 2 0 296.415 -0.299 20 0 CBADRP CC[NH2+]CCCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001118202678 812493995 /nfs/dbraw/zinc/49/39/95/812493995.db2.gz AKNUZPARYWLQIV-UHFFFAOYSA-N 2 0 280.376 -0.068 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001118205120 812496860 /nfs/dbraw/zinc/49/68/60/812496860.db2.gz GNIPGMYLXHGDTB-VHSXEESVSA-N 2 0 266.349 -0.378 20 0 CBADRP O[C@H]1CCC[C@@H]1[NH+]1CCN(CCN2CC[NH2+]CC2)CC1 ZINC001118223230 812498937 /nfs/dbraw/zinc/49/89/37/812498937.db2.gz OWNOLKPPBBMXMB-GJZGRUSLSA-N 2 0 282.432 -0.577 20 0 CBADRP [NH3+]Cc1ccc(C(=O)NC[C@H]2C[NH2+]CCCO2)o1 ZINC001118225581 812500882 /nfs/dbraw/zinc/50/08/82/812500882.db2.gz JXEXWJCPIFYTMY-SNVBAGLBSA-N 2 0 253.302 -0.153 20 0 CBADRP C[C@H](C[C@H](C)O)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001118242427 812505275 /nfs/dbraw/zinc/50/52/75/812505275.db2.gz ZDVGOAKNPMCODO-AGIUHOORSA-N 2 0 259.394 -0.656 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)NCC2C[NH2+]C2)CC1 ZINC001118251434 812507610 /nfs/dbraw/zinc/50/76/10/812507610.db2.gz OEKDNWQPWOGIBM-UHFFFAOYSA-N 2 0 270.377 -0.384 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001118325902 812530831 /nfs/dbraw/zinc/53/08/31/812530831.db2.gz LOFIOEXQCVCQDZ-UTUOFQBUSA-N 2 0 284.404 -0.443 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC001118338009 812534339 /nfs/dbraw/zinc/53/43/39/812534339.db2.gz VXWTZKGERNLUAZ-NEPJUHHUSA-N 2 0 256.394 -0.277 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001118336524 812534720 /nfs/dbraw/zinc/53/47/20/812534720.db2.gz APPWZUUTQDQWAX-GFCCVEGCSA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC001118390254 812544405 /nfs/dbraw/zinc/54/44/05/812544405.db2.gz SAZFSWOYHGFSHO-GARJFASQSA-N 2 0 268.361 -0.998 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001118481113 812554315 /nfs/dbraw/zinc/55/43/15/812554315.db2.gz WAIBUJUGLAAQEQ-SNVBAGLBSA-N 2 0 296.375 -0.893 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC001118485806 812554651 /nfs/dbraw/zinc/55/46/51/812554651.db2.gz GRSLPGNNXFYOKP-SRVKXCTJSA-N 2 0 282.388 -0.547 20 0 CBADRP COCCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158508279 815536524 /nfs/dbraw/zinc/53/65/24/815536524.db2.gz UYPOWPGOZJFIJR-UONOGXRCSA-N 2 0 299.415 -0.018 20 0 CBADRP C[C@@H]1CCN(C(=O)c2cn(CC[NH3+])nn2)C[C@H]1C[NH3+] ZINC001118505270 812560976 /nfs/dbraw/zinc/56/09/76/812560976.db2.gz BVNTZLPFGFRUOO-NXEZZACHSA-N 2 0 266.349 -0.706 20 0 CBADRP C[NH2+]CCCN(C)C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001118506559 812562184 /nfs/dbraw/zinc/56/21/84/812562184.db2.gz QHYQZTCRDGMFEG-UHFFFAOYSA-N 2 0 280.376 -0.116 20 0 CBADRP C[C@@H]([NH3+])C1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC001118506810 812562363 /nfs/dbraw/zinc/56/23/63/812562363.db2.gz RXPWKFCBVOJOBM-SECBINFHSA-N 2 0 266.349 -0.564 20 0 CBADRP COCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158509144 815536784 /nfs/dbraw/zinc/53/67/84/815536784.db2.gz ZHXPSVPJBYCRMY-QWHCGFSZSA-N 2 0 285.388 -0.408 20 0 CBADRP [NH3+]CCn1cc(C(=O)NCCC[NH2+]C2CC2)nn1 ZINC001118506991 812563099 /nfs/dbraw/zinc/56/30/99/812563099.db2.gz SUYBVRMBRFANPG-UHFFFAOYSA-N 2 0 252.322 -0.891 20 0 CBADRP O=C(C[C@H]1CC[NH2+]C1)NCCCN1CC[NH2+]CC1 ZINC001118507519 812563216 /nfs/dbraw/zinc/56/32/16/812563216.db2.gz ZGITYSLXGUEJQK-GFCCVEGCSA-N 2 0 254.378 -0.603 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158534876 815537119 /nfs/dbraw/zinc/53/71/19/815537119.db2.gz VBRSBXVPGDJIDI-FMCLSXCISA-N 3 0 282.388 -0.968 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001118545046 812572085 /nfs/dbraw/zinc/57/20/85/812572085.db2.gz DEFSJCNJUPAJOV-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001118548920 812573331 /nfs/dbraw/zinc/57/33/31/812573331.db2.gz URPAIRUBFHQSBO-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP [NH3+]CCn1cc(C(=O)NCCC[C@H]2CCC[NH2+]2)nn1 ZINC001118557144 812576811 /nfs/dbraw/zinc/57/68/11/812576811.db2.gz CANPNRKLPYIRRI-SNVBAGLBSA-N 2 0 266.349 -0.501 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001118569383 812579352 /nfs/dbraw/zinc/57/93/52/812579352.db2.gz GFMCJBSKJXQTNR-SECBINFHSA-N 2 0 266.349 -0.473 20 0 CBADRP [NH3+]C1([C@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@@H]2CF)CC1 ZINC001158569004 815538051 /nfs/dbraw/zinc/53/80/51/815538051.db2.gz UWQYSXVRTYPXQU-RYUDHWBXSA-N 2 0 284.379 -0.573 20 0 CBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)C[C@@H]2CF)CC1 ZINC001158566318 815538066 /nfs/dbraw/zinc/53/80/66/815538066.db2.gz BSOWKIJGDADURX-IEECTRCBSA-N 2 0 296.390 -0.528 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCC[NH2+]2)n1 ZINC001118573963 812581951 /nfs/dbraw/zinc/58/19/51/812581951.db2.gz MPDUNTKRFJOTLS-QMMMGPOBSA-N 2 0 251.290 -0.991 20 0 CBADRP [NH3+]C1([C@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@@H]2CF)CC1 ZINC001158578559 815539678 /nfs/dbraw/zinc/53/96/78/815539678.db2.gz MJSVUNKZAWJQTP-NAKRPEOUSA-N 2 0 271.336 -0.755 20 0 CBADRP NC1(C(=O)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)CC[NH2+]CC1 ZINC001158576188 815539912 /nfs/dbraw/zinc/53/99/12/815539912.db2.gz AFEFFBMWRZAICK-MNOVXSKESA-N 2 0 284.379 -0.397 20 0 CBADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001158626166 815541216 /nfs/dbraw/zinc/54/12/16/815541216.db2.gz GBZFRXNYZDCNJB-XQQFMLRXSA-N 2 0 296.415 -0.123 20 0 CBADRP CO[C@@H]1CN(c2nc(Cl)nc3c2CC[NH2+]C3)C[C@@H]1[NH3+] ZINC001158705508 815543826 /nfs/dbraw/zinc/54/38/26/815543826.db2.gz OFUJVZFXSGHBOH-WCBMZHEXSA-N 2 0 283.763 -0.062 20 0 CBADRP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC001118896996 812656140 /nfs/dbraw/zinc/65/61/40/812656140.db2.gz ITPRDAIRAJOIJU-SYLRKERUSA-N 2 0 267.373 -0.003 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1CC(=O)N1CC[NH2+]CC1 ZINC001118896790 812656517 /nfs/dbraw/zinc/65/65/17/812656517.db2.gz GIYNVMQBPCYCNT-GFCCVEGCSA-N 2 0 254.378 -0.652 20 0 CBADRP COCC[C@H]([NH3+])Cc1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC001118917886 812662113 /nfs/dbraw/zinc/66/21/13/812662113.db2.gz PLVMKEMQYIYNDH-JQWIXIFHSA-N 2 0 269.349 -0.827 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)CC[NH2+]C1 ZINC001158546762 815538587 /nfs/dbraw/zinc/53/85/87/815538587.db2.gz LSSPNFQDCWHYIF-MYZSUADSSA-N 2 0 279.384 -0.035 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NCC1=CC[NH2+]CC1 ZINC001118920819 812663509 /nfs/dbraw/zinc/66/35/09/812663509.db2.gz DNPFWBZFZBBAIC-UHFFFAOYSA-N 2 0 256.350 -0.477 20 0 CBADRP [NH3+]C1CCN(CCc2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC001118979813 812682452 /nfs/dbraw/zinc/68/24/52/812682452.db2.gz XYKVXTRHDIDOFW-CYBMUJFWSA-N 2 0 264.377 -0.222 20 0 CBADRP C[C@H]([NH3+])CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001118996604 812686350 /nfs/dbraw/zinc/68/63/50/812686350.db2.gz RDYBMJKOMRJULZ-MMWGEVLESA-N 2 0 254.334 -0.800 20 0 CBADRP O=C(CN1CCC[C@H]2[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC001118995558 812686494 /nfs/dbraw/zinc/68/64/94/812686494.db2.gz HFAKMSCYVKTXFM-NEPJUHHUSA-N 2 0 252.362 -0.756 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001119036139 812695949 /nfs/dbraw/zinc/69/59/49/812695949.db2.gz DXLRWFOFEVFESM-GRYCIOLGSA-N 2 0 282.388 -0.655 20 0 CBADRP [NH3+][C@H]1CC[C@H](C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC001119056579 812702102 /nfs/dbraw/zinc/70/21/02/812702102.db2.gz SBHLADWWDMHZCI-XYPYZODXSA-N 2 0 268.361 -0.948 20 0 CBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)CC[NH2+]C)CC2 ZINC001158891194 815550200 /nfs/dbraw/zinc/55/02/00/815550200.db2.gz WBRHBBSFIXLZSV-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)C1 ZINC001119236110 812728117 /nfs/dbraw/zinc/72/81/17/812728117.db2.gz WLWJLCDZGHTRPB-LOWVWBTDSA-N 2 0 255.362 -0.179 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC001119237068 812728265 /nfs/dbraw/zinc/72/82/65/812728265.db2.gz NXOWXXCUFODAJJ-CYBMUJFWSA-N 2 0 265.361 -0.002 20 0 CBADRP C[NH2+]CCOCCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001119242520 812730054 /nfs/dbraw/zinc/73/00/54/812730054.db2.gz CKGDNUCOOGJZCJ-UHFFFAOYSA-N 2 0 296.375 -0.832 20 0 CBADRP Cc1cc(C[NH3+])oc1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001119298154 812747444 /nfs/dbraw/zinc/74/74/44/812747444.db2.gz YMANFRKDTNJZRB-JTQLQIEISA-N 2 0 253.302 -0.235 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001119300725 812748790 /nfs/dbraw/zinc/74/87/90/812748790.db2.gz FEIUVNAMLOEOIU-RWMBFGLXSA-N 2 0 268.405 -0.134 20 0 CBADRP COCCC1(NC(=O)COCC[NH3+])CC[NH2+]CC1 ZINC001119300743 812749245 /nfs/dbraw/zinc/74/92/45/812749245.db2.gz FPAWLHCILIFOFS-UHFFFAOYSA-N 2 0 259.350 -0.763 20 0 CBADRP [NH3+]CCOCC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001119324996 812755604 /nfs/dbraw/zinc/75/56/04/812755604.db2.gz NFEYUDOBMORBEZ-MRVPVSSYSA-N 2 0 251.277 -0.677 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001119363405 812767681 /nfs/dbraw/zinc/76/76/81/812767681.db2.gz XZDUWVKCUKISOS-AGIUHOORSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119368003 812768587 /nfs/dbraw/zinc/76/85/87/812768587.db2.gz CEIPNLYRYHMTRA-HAQNSBGRSA-N 2 0 284.404 -0.312 20 0 CBADRP Nc1cc[nH+]c(CNC(=O)C[C@H]2C[NH2+]CCO2)c1 ZINC001119382974 812772319 /nfs/dbraw/zinc/77/23/19/812772319.db2.gz FQEWEIYVJLUUAY-NSHDSACASA-N 2 0 250.302 -0.342 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001119479380 812791143 /nfs/dbraw/zinc/79/11/43/812791143.db2.gz BDWVNGSBCJDRGR-PHIMTYICSA-N 2 0 258.366 -0.399 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC001119488800 812792443 /nfs/dbraw/zinc/79/24/43/812792443.db2.gz WUIBVNYOPINAMK-HBNTYKKESA-N 2 0 256.350 -0.375 20 0 CBADRP O=C(CC[N@H+]1C2CCC1(CO)CC2)N1CC[NH2+]CC1 ZINC001119539701 812802932 /nfs/dbraw/zinc/80/29/32/812802932.db2.gz CMOPLMMSOGZFRE-UHFFFAOYSA-N 2 0 267.373 -0.202 20 0 CBADRP CC1(C)CN(C(=O)C(=O)N2CCn3cncc3C2)C[C@H]1[NH3+] ZINC001119544159 812804281 /nfs/dbraw/zinc/80/42/81/812804281.db2.gz GEKFJAQEJSNCHT-LLVKDONJSA-N 2 0 291.355 -0.579 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@H]([NH3+])C(C)(C)C3)C[C@@H]21 ZINC001119610877 812833703 /nfs/dbraw/zinc/83/37/03/812833703.db2.gz IRADOPQNKBREHJ-WOPDTQHZSA-N 2 0 294.399 -0.655 20 0 CBADRP CC(C)(C)N(C(=O)[C@@H](N)C[NH3+])[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160272 815560943 /nfs/dbraw/zinc/56/09/43/815560943.db2.gz HCVVKIMAXCTIFW-RYUDHWBXSA-N 2 0 298.431 -0.189 20 0 CBADRP C[NH+]1CC(CNc2cncc(N3CC[NH2+]CC3)n2)C1 ZINC001159219363 815563246 /nfs/dbraw/zinc/56/32/46/815563246.db2.gz GYEPSSVEDNPHBY-UHFFFAOYSA-N 2 0 262.361 -0.140 20 0 CBADRP C[NH+](C)CCn1nccc1N1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC001120091976 812933511 /nfs/dbraw/zinc/93/35/11/812933511.db2.gz UXZCLKSAGLJNEY-JTQLQIEISA-N 2 0 294.359 -0.569 20 0 CBADRP C([C@@H]1C[C@H]2COC[C@@H]2O1)N1CC[NH2+]CC[NH2+]CC1 ZINC001120266643 812943134 /nfs/dbraw/zinc/94/31/34/812943134.db2.gz VJCYSLMAMXHPQC-AVGNSLFASA-N 2 0 255.362 -0.715 20 0 CBADRP C([C@@H]1C[C@H]2COC[C@H]2O1)N1CC[NH2+]CC[NH2+]CC1 ZINC001120266645 812945075 /nfs/dbraw/zinc/94/50/75/812945075.db2.gz VJCYSLMAMXHPQC-RWMBFGLXSA-N 2 0 255.362 -0.715 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC001120457112 812970173 /nfs/dbraw/zinc/97/01/73/812970173.db2.gz YUCKDNCGZMOQPL-WZRBSPASSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC[N@@H+]1C ZINC001120517705 812981151 /nfs/dbraw/zinc/98/11/51/812981151.db2.gz UVZZOCXXYGERDA-FRRDWIJNSA-N 2 0 296.415 -0.217 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001120546628 812987560 /nfs/dbraw/zinc/98/75/60/812987560.db2.gz UIKMPMUBYXADEO-NEPJUHHUSA-N 2 0 269.393 -0.682 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)N[C@H](C)CCC[NH3+] ZINC001120545755 812987776 /nfs/dbraw/zinc/98/77/76/812987776.db2.gz LRBYGPAVCFNHQX-GHMZBOCLSA-N 2 0 258.366 -0.256 20 0 CBADRP [NH3+]C1(CNC(=O)N2CCNCC[NH2+]CC2)CCC1 ZINC001120544687 812988120 /nfs/dbraw/zinc/98/81/20/812988120.db2.gz VFLIJQMVPSNHOL-UHFFFAOYSA-N 2 0 255.366 -0.928 20 0 CBADRP [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001120547077 812989396 /nfs/dbraw/zinc/98/93/96/812989396.db2.gz WWLAJRTVAODDIQ-ONYIWYLUSA-N 2 0 250.346 -0.273 20 0 CBADRP C[NH+]1CCN(CCC[NH2+]C[C@H](O)C2(O)CCCC2)CC1 ZINC001120562845 812991795 /nfs/dbraw/zinc/99/17/95/812991795.db2.gz GATOOHICKUXABD-AWEZNQCLSA-N 2 0 285.432 -0.121 20 0 CBADRP C[NH+]1CCN(CC[NH2+]C[C@H](O)CCC2(O)CCC2)CC1 ZINC001120563897 812992017 /nfs/dbraw/zinc/99/20/17/812992017.db2.gz WTWASONIRJQDFA-CQSZACIVSA-N 2 0 285.432 -0.121 20 0 CBADRP CN(CCC[NH2+]CCC(=O)NC(N)=O)CC[NH+](C)C ZINC001120588566 812997392 /nfs/dbraw/zinc/99/73/92/812997392.db2.gz BEXCKIILSIWEFE-UHFFFAOYSA-N 2 0 273.381 -0.956 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)N1CCNCC[NH2+]CC1 ZINC001120629061 813002650 /nfs/dbraw/zinc/00/26/50/813002650.db2.gz ARDHJRVAWOJHLP-UHFFFAOYSA-N 2 0 271.409 -0.292 20 0 CBADRP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001120632945 813003316 /nfs/dbraw/zinc/00/33/16/813003316.db2.gz HHGUJKKIHDXQKO-GMXVVIOVSA-N 2 0 268.361 -0.502 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC001120634988 813003514 /nfs/dbraw/zinc/00/35/14/813003514.db2.gz XWXGSSPHROAXAV-HLTSFMKQSA-N 2 0 262.304 -0.109 20 0 CBADRP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001120632946 813003625 /nfs/dbraw/zinc/00/36/25/813003625.db2.gz HHGUJKKIHDXQKO-NQBHXWOUSA-N 2 0 268.361 -0.502 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001120642937 813005307 /nfs/dbraw/zinc/00/53/07/813005307.db2.gz WVJRJOIYFNSVHJ-OUAUKWLOSA-N 2 0 256.350 -0.647 20 0 CBADRP CN1CCN(C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC001120658896 813007765 /nfs/dbraw/zinc/00/77/65/813007765.db2.gz XJFGBPWZXQXLPK-GRYCIOLGSA-N 2 0 269.393 -0.602 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001120669253 813009695 /nfs/dbraw/zinc/00/96/95/813009695.db2.gz USBDIDKWUIAHEX-UHFFFAOYSA-N 2 0 297.447 -0.077 20 0 CBADRP CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2)[NH+](C)C ZINC001121301913 813061590 /nfs/dbraw/zinc/06/15/90/813061590.db2.gz GSVFBSLFHWUFHD-VDZFAJSBSA-N 2 0 296.415 -0.171 20 0 CBADRP CC1(C)C[NH2+]CCN1C(=O)C[NH+]1CCC(CO)CC1 ZINC001121818641 813077343 /nfs/dbraw/zinc/07/73/43/813077343.db2.gz VCRVOVMZFQPSEL-UHFFFAOYSA-N 2 0 269.389 -0.099 20 0 CBADRP [NH3+]CCNCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001121900142 813085668 /nfs/dbraw/zinc/08/56/68/813085668.db2.gz CJYSKMGAFHJCPH-CQSZACIVSA-N 2 0 276.384 -0.075 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCC(C[NH2+]C)CC1 ZINC001121896135 813086292 /nfs/dbraw/zinc/08/62/92/813086292.db2.gz GHJAWZOZJLKBHM-CMPLNLGQSA-N 2 0 257.378 -0.339 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001121909074 813088966 /nfs/dbraw/zinc/08/89/66/813088966.db2.gz JCZIFTLEWLHREN-HBNTYKKESA-N 2 0 255.362 -0.172 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001121909455 813089230 /nfs/dbraw/zinc/08/92/30/813089230.db2.gz RQAIWXSRVJLBCJ-XSRFYTQQSA-N 2 0 255.362 -0.456 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001121922856 813090906 /nfs/dbraw/zinc/09/09/06/813090906.db2.gz QOCCDYUCCYCGRI-HIFRSBDPSA-N 2 0 299.415 -0.303 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001121939492 813092988 /nfs/dbraw/zinc/09/29/88/813092988.db2.gz KLPBYIBWUOOBHQ-SNVBAGLBSA-N 2 0 255.362 -0.313 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC001121938841 813093391 /nfs/dbraw/zinc/09/33/91/813093391.db2.gz YGDARSANVVGBSZ-CSYMLDBXSA-N 2 0 257.378 -0.295 20 0 CBADRP C[NH+]1CCC(OCC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001121937472 813093613 /nfs/dbraw/zinc/09/36/13/813093613.db2.gz MOJDJUPJTOYYRC-TXEJJXNPSA-N 2 0 267.373 -0.225 20 0 CBADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CNCC[NH3+] ZINC001121945262 813094707 /nfs/dbraw/zinc/09/47/07/813094707.db2.gz HVRRBFDRIOWJTF-NSHDSACASA-N 2 0 256.394 -0.277 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)C1CC([NH3+])C1 ZINC001121943607 813094730 /nfs/dbraw/zinc/09/47/30/813094730.db2.gz KSNQBGARYSGLLI-HBIQZDMRSA-N 2 0 252.362 -0.677 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)CNCC[NH3+])CC[C@@H]21 ZINC001121971485 813097707 /nfs/dbraw/zinc/09/77/07/813097707.db2.gz BVXDQFHBAWGIOB-NEPJUHHUSA-N 2 0 254.378 -0.523 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001121975365 813099354 /nfs/dbraw/zinc/09/93/54/813099354.db2.gz RGONGEDWUXMOFG-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+](C)CCCNC(=O)c1cnn2cc(CC[NH3+])cnc12 ZINC001121974885 813100141 /nfs/dbraw/zinc/10/01/41/813100141.db2.gz LYYCIGJFJQIOAS-UHFFFAOYSA-N 2 0 290.371 -0.088 20 0 CBADRP C[N@H+](CCNC(=O)[C@H]([NH3+])CO)Cc1ccccc1 ZINC001121987439 813101524 /nfs/dbraw/zinc/10/15/24/813101524.db2.gz BPPBIGJXTHLRRR-GFCCVEGCSA-N 2 0 251.330 -0.446 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001121990090 813101743 /nfs/dbraw/zinc/10/17/43/813101743.db2.gz ZGLNTKMROYFNSM-DCBWTQNWSA-N 2 0 269.389 -0.067 20 0 CBADRP C[NH+](C)CC1CCN(C(=O)[C@@H]([NH3+])C(C)(C)O)CC1 ZINC001121991560 813101911 /nfs/dbraw/zinc/10/19/11/813101911.db2.gz UHIIOZISVXHILQ-LLVKDONJSA-N 2 0 257.378 -0.115 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC001122024273 813106468 /nfs/dbraw/zinc/10/64/68/813106468.db2.gz UATZYPNMAMIQKW-BDAKNGLRSA-N 2 0 262.304 -0.997 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC001122024801 813106661 /nfs/dbraw/zinc/10/66/61/813106661.db2.gz ZVELGESDJFDFSA-WDEREUQCSA-N 2 0 271.361 -0.085 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001122053120 813110678 /nfs/dbraw/zinc/11/06/78/813110678.db2.gz YXZXVGQEXXPPOQ-NSHDSACASA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001122063015 813110867 /nfs/dbraw/zinc/11/08/67/813110867.db2.gz HIXXGSTZIXXQSP-SNVBAGLBSA-N 2 0 269.345 -0.998 20 0 CBADRP C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2C[NH2+]CCN2C)C[C@@H]1C[NH3+] ZINC001122075145 813113442 /nfs/dbraw/zinc/11/34/42/813113442.db2.gz GVBSCCLQWCKJBP-VOAKCMCISA-N 2 0 268.405 -0.278 20 0 CBADRP O=C(NCC[C@H]1CSCC[NH2+]1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC001122082708 813114258 /nfs/dbraw/zinc/11/42/58/813114258.db2.gz LBCCTFHVOQOSQS-YTWAJWBKSA-N 2 0 255.387 -0.052 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@]1(C)CC[NH2+]C1 ZINC001122079899 813114494 /nfs/dbraw/zinc/11/44/94/813114494.db2.gz TXVXWXZLHBACRE-NTZNESFSSA-N 2 0 252.362 -0.757 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001122076759 813114512 /nfs/dbraw/zinc/11/45/12/813114512.db2.gz FJGRHVYYDVJSGD-UTUOFQBUSA-N 2 0 255.362 -0.444 20 0 CBADRP C[NH2+]CCOCCNC(=O)C1([C@H](C)[NH3+])CCOCC1 ZINC001122088808 813115237 /nfs/dbraw/zinc/11/52/37/813115237.db2.gz MLZDYBHCYGQZQI-NSHDSACASA-N 2 0 273.377 -0.517 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001122094808 813115312 /nfs/dbraw/zinc/11/53/12/813115312.db2.gz PUDAVTGRNPCQPN-JQWIXIFHSA-N 2 0 255.362 -0.300 20 0 CBADRP O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001122094992 813115492 /nfs/dbraw/zinc/11/54/92/813115492.db2.gz VOBVEUMHCHMWSU-OLZOCXBDSA-N 2 0 269.389 -0.051 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001122093684 813115740 /nfs/dbraw/zinc/11/57/40/813115740.db2.gz DGHCRSCZLRQLPJ-NWDGAFQWSA-N 2 0 255.362 -0.299 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC001122093576 813116044 /nfs/dbraw/zinc/11/60/44/813116044.db2.gz BDOHLQZSCZPPIW-UZGDPCLZSA-N 2 0 269.389 -0.339 20 0 CBADRP [NH3+][C@H](C(=O)NCC1(O)C[NH2+]C1)C1CCCCCC1 ZINC001122136572 813122345 /nfs/dbraw/zinc/12/23/45/813122345.db2.gz MZIWICCBUAYBFP-NSHDSACASA-N 2 0 255.362 -0.265 20 0 CBADRP O=C(N[C@H]1COC2(C[NH2+]C2)C1)C12CCC(CC1)[NH2+]2 ZINC001122143225 813123593 /nfs/dbraw/zinc/12/35/93/813123593.db2.gz JIXZFDAPKQBPRW-RUETXSTFSA-N 2 0 251.330 -0.482 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001122144152 813123963 /nfs/dbraw/zinc/12/39/63/813123963.db2.gz VJWITJPPHLXYRA-JVGWCMFKSA-N 2 0 269.389 -0.056 20 0 CBADRP C[NH+]1CCC(OCC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC001122161155 813125807 /nfs/dbraw/zinc/12/58/07/813125807.db2.gz YMULMCIGOSPPIW-ZDUSSCGKSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCN1CCC([NH3+])CC1 ZINC001122157502 813125936 /nfs/dbraw/zinc/12/59/36/813125936.db2.gz MRHOJQAZBGBPTO-NWDGAFQWSA-N 2 0 254.378 -0.347 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC001122169171 813127213 /nfs/dbraw/zinc/12/72/13/813127213.db2.gz XFYAIPPXONNHQE-YPMHNXCESA-N 2 0 255.362 -0.177 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001122171156 813127310 /nfs/dbraw/zinc/12/73/10/813127310.db2.gz CXNVLFAELANBAS-KXUCPTDWSA-N 2 0 257.334 -0.476 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001122183906 813128809 /nfs/dbraw/zinc/12/88/09/813128809.db2.gz YUXLKCWIIQBWFN-RYUDHWBXSA-N 2 0 257.378 -0.067 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC001122183894 813128821 /nfs/dbraw/zinc/12/88/21/813128821.db2.gz YLJMPVAAADVBJE-WZRBSPASSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001122182193 813129054 /nfs/dbraw/zinc/12/90/54/813129054.db2.gz UWXAAGDMLMHNTH-WUHRBBMRSA-N 2 0 296.415 -0.219 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]([NH3+])C1CCCCC1 ZINC001122183905 813129126 /nfs/dbraw/zinc/12/91/26/813129126.db2.gz YUXLKCWIIQBWFN-NWDGAFQWSA-N 2 0 257.378 -0.067 20 0 CBADRP C[NH2+][C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cnn(C)c1 ZINC001122185115 813129413 /nfs/dbraw/zinc/12/94/13/813129413.db2.gz MHLXXKGWUFFWPF-GRYCIOLGSA-N 2 0 263.345 -0.357 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CC[NH2+]CCC1(C)C ZINC001122191256 813130696 /nfs/dbraw/zinc/13/06/96/813130696.db2.gz VJKOFVCDYDZRNF-WDEREUQCSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001122197181 813131682 /nfs/dbraw/zinc/13/16/82/813131682.db2.gz XTWXJZZSLYVCTK-ZDEQEGDKSA-N 2 0 266.389 -0.239 20 0 CBADRP [NH3+]CCOCC(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001122201745 813132440 /nfs/dbraw/zinc/13/24/40/813132440.db2.gz CUCWJPMJZHUTAZ-NSHDSACASA-N 2 0 271.361 -0.682 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001122205075 813132521 /nfs/dbraw/zinc/13/25/21/813132521.db2.gz BPWACVCBSSZXPP-BREBYQMCSA-N 2 0 264.329 -0.175 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001122201587 813133137 /nfs/dbraw/zinc/13/31/37/813133137.db2.gz BDSGYKXVKCLCPH-SRVKXCTJSA-N 2 0 267.373 -0.062 20 0 CBADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@H]1CO ZINC001122208534 813134165 /nfs/dbraw/zinc/13/41/65/813134165.db2.gz OEISBXDWRYFCSU-QSKOYVBTSA-N 2 0 253.346 -0.665 20 0 CBADRP COC[C@@]1(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[NH2+]C1 ZINC001122220372 813135073 /nfs/dbraw/zinc/13/50/73/813135073.db2.gz QTJPSGLVBBXAGO-OUCADQQQSA-N 2 0 267.373 -0.320 20 0 CBADRP [NH3+]C[C@@]1(C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CCCOC1 ZINC001122241457 813137474 /nfs/dbraw/zinc/13/74/74/813137474.db2.gz PBSSXTVJUZHYOF-MDZLAQPJSA-N 2 0 255.362 -0.015 20 0 CBADRP CC(C)C[NH2+]CC(=O)N1NC(=O)CC12CC[NH2+]CC2 ZINC001122265060 813138748 /nfs/dbraw/zinc/13/87/48/813138748.db2.gz CTSOIKFLLZVICX-UHFFFAOYSA-N 2 0 268.361 -0.382 20 0 CBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001122289486 813140928 /nfs/dbraw/zinc/14/09/28/813140928.db2.gz ZJRRKTTXYGWSJP-MNOVXSKESA-N 2 0 254.378 -0.619 20 0 CBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1[nH]nc2c1C[NH2+]CC2 ZINC001122305717 813142971 /nfs/dbraw/zinc/14/29/71/813142971.db2.gz ZIRTWDDJJCVJQH-PPKCKEKNSA-N 2 0 261.329 -0.322 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1=O ZINC001122301739 813143499 /nfs/dbraw/zinc/14/34/99/813143499.db2.gz BFRVWOZDDDLTSU-IRCOFANPSA-N 2 0 280.372 -0.807 20 0 CBADRP CC(C)[NH2+]CC(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001122314697 813144093 /nfs/dbraw/zinc/14/40/93/813144093.db2.gz IGVLSHVFWJEAGL-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[C@H]3CC[C@]32C[NH3+])=NO1 ZINC001122321123 813145279 /nfs/dbraw/zinc/14/52/79/813145279.db2.gz SKTHPPXQEJYXBW-PTRXPTGYSA-N 2 0 252.318 -0.570 20 0 CBADRP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C[C@H](O)C[NH3+] ZINC001122339811 813149072 /nfs/dbraw/zinc/14/90/72/813149072.db2.gz HHFQIAAHKXTUCY-RYUDHWBXSA-N 2 0 257.378 -0.115 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC001122365076 813153386 /nfs/dbraw/zinc/15/33/86/813153386.db2.gz WYTMHMDJARKNCR-KWBADKCTSA-N 2 0 255.362 -0.132 20 0 CBADRP C[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)[C@@H]1C[N@H+](C)CCN1C ZINC001122447568 813165374 /nfs/dbraw/zinc/16/53/74/813165374.db2.gz FSRPOXFZXQCZOH-UPJWGTAASA-N 2 0 268.405 -0.121 20 0 CBADRP C[C@H](NC(=O)C1CC[NH2+]CC1)[C@H]1C[N@H+](C)CCN1C ZINC001122447127 813165764 /nfs/dbraw/zinc/16/57/64/813165764.db2.gz BILZNJRWOZPZIY-WCQYABFASA-N 2 0 268.405 -0.264 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2c(n1)NC(=O)CO2 ZINC001159785969 815594872 /nfs/dbraw/zinc/59/48/72/815594872.db2.gz VFJJTWMLWNHBBA-MRVPVSSYSA-N 2 0 251.290 -0.152 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001122494314 813170793 /nfs/dbraw/zinc/17/07/93/813170793.db2.gz BXMHKVGNYSTMCM-DYEKYZERSA-N 2 0 267.373 -0.272 20 0 CBADRP C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@@H]1C[N@H+](C)CCN1C ZINC001122540551 813174728 /nfs/dbraw/zinc/17/47/28/813174728.db2.gz FKGGQJCSDHYVGN-OBJOEFQTSA-N 2 0 268.405 -0.121 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(S(=O)(=O)NC2CC2)cn1 ZINC001159786506 815596107 /nfs/dbraw/zinc/59/61/07/815596107.db2.gz BSBPDYLGVURANL-LLVKDONJSA-N 2 0 299.400 -0.042 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@@H]3COCC[NH2+]3)[C@H]2C1 ZINC001122571620 813177024 /nfs/dbraw/zinc/17/70/24/813177024.db2.gz BDEHJCMHBUVZMH-RNJOBUHISA-N 2 0 267.373 -0.179 20 0 CBADRP CN(C)S(=O)(=O)c1ccc(N[C@@H]([NH3+])CCC[NH3+])nc1 ZINC001159786955 815596410 /nfs/dbraw/zinc/59/64/10/815596410.db2.gz OIFMBJSMDNNDLW-SNVBAGLBSA-N 2 0 287.389 -0.233 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)NCC[C@@H]2CCC[NH2+]CC2)=NO1 ZINC001122595900 813179368 /nfs/dbraw/zinc/17/93/68/813179368.db2.gz TUYFIIKDBMCPHF-GHMZBOCLSA-N 2 0 268.361 -0.014 20 0 CBADRP CCNS(=O)(=O)c1ccc(N[C@H]([NH3+])CCC[NH3+])nc1 ZINC001159786423 815596896 /nfs/dbraw/zinc/59/68/96/815596896.db2.gz AEOIWLFDNIVQRU-JTQLQIEISA-N 2 0 287.389 -0.185 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159854849 815600360 /nfs/dbraw/zinc/60/03/60/815600360.db2.gz UQJPIYVMZCFINP-GFCCVEGCSA-N 2 0 287.404 -0.426 20 0 CBADRP O=C(NCCC[NH2+]CCO)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159868307 815602536 /nfs/dbraw/zinc/60/25/36/815602536.db2.gz APZJGHLLFDZIBF-AWEZNQCLSA-N 2 0 299.415 -0.282 20 0 CBADRP CN(C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001124837318 813485301 /nfs/dbraw/zinc/48/53/01/813485301.db2.gz LTGAJOBKBDQTTD-GFCCVEGCSA-N 2 0 282.388 -0.593 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001124835907 813485419 /nfs/dbraw/zinc/48/54/19/813485419.db2.gz CBGQZKMIGGZCHD-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124873025 813490756 /nfs/dbraw/zinc/49/07/56/813490756.db2.gz RMLLZSCVBPSJIW-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001124867672 813491412 /nfs/dbraw/zinc/49/14/12/813491412.db2.gz XNZVNKPPGAYWRF-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124873265 813492443 /nfs/dbraw/zinc/49/24/43/813492443.db2.gz UZRLUXTXUKORIE-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124873264 813492472 /nfs/dbraw/zinc/49/24/72/813492472.db2.gz UZRLUXTXUKORIE-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001124879474 813493374 /nfs/dbraw/zinc/49/33/74/813493374.db2.gz UQCIUTAVCDJXEI-STQMWFEESA-N 2 0 296.415 -0.297 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001124878815 813494294 /nfs/dbraw/zinc/49/42/94/813494294.db2.gz OWJVSUCACOJRKF-NXEZZACHSA-N 2 0 256.350 -0.950 20 0 CBADRP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124879121 813495001 /nfs/dbraw/zinc/49/50/01/813495001.db2.gz QBLCFMQJLMKFDV-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001124873584 813495312 /nfs/dbraw/zinc/49/53/12/813495312.db2.gz ZFHOTOCFYBLFLW-QWRGUYRKSA-N 2 0 268.361 -0.935 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001127067499 813710155 /nfs/dbraw/zinc/71/01/55/813710155.db2.gz YKYAQOPOSRYFFF-MNOVXSKESA-N 2 0 270.377 -0.561 20 0 CBADRP CC(C)(C(=O)NCC[NH2+]CCO)[NH+]1CCCCC1 ZINC001127326734 813724090 /nfs/dbraw/zinc/72/40/90/813724090.db2.gz ANUPPNJXVYSNKB-UHFFFAOYSA-N 2 0 257.378 -0.051 20 0 CBADRP COCC[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127558086 813735620 /nfs/dbraw/zinc/73/56/20/813735620.db2.gz CDLXXDCBPKVUKO-UHFFFAOYSA-N 2 0 283.376 -0.590 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001127685320 813741254 /nfs/dbraw/zinc/74/12/54/813741254.db2.gz NBNPCWXSBINSAW-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127695249 813741845 /nfs/dbraw/zinc/74/18/45/813741845.db2.gz GRMOMMSIVYCTTF-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC)CC[N@@H+]1C ZINC001127701070 813742061 /nfs/dbraw/zinc/74/20/61/813742061.db2.gz GUCBDIBCAUCTOL-SDDRHHMPSA-N 2 0 284.404 -0.443 20 0 CBADRP COCCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127784805 813748876 /nfs/dbraw/zinc/74/88/76/813748876.db2.gz BNXRUNYJMLILBE-KBPBESRZSA-N 2 0 299.415 -0.018 20 0 CBADRP O=C(NCC[NH2+]CCF)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779563 813748955 /nfs/dbraw/zinc/74/89/55/813748955.db2.gz OEWKQWQIMHKBSL-GHMZBOCLSA-N 2 0 259.325 -0.475 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CCCO ZINC001128540222 813781801 /nfs/dbraw/zinc/78/18/01/813781801.db2.gz SIHYYPRBXSBVNG-LLVKDONJSA-N 2 0 263.357 -0.246 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CCOCCO ZINC001128533419 813778833 /nfs/dbraw/zinc/77/88/33/813778833.db2.gz MARFGUOTRDFARD-GFCCVEGCSA-N 2 0 293.383 -0.619 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001128533226 813780241 /nfs/dbraw/zinc/78/02/41/813780241.db2.gz JKNDKSOWYFGSHS-ZJUUUORDSA-N 2 0 276.356 -0.754 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001128533178 813780338 /nfs/dbraw/zinc/78/03/38/813780338.db2.gz IHVZCKTWIFDUER-NSHDSACASA-N 2 0 290.383 -0.492 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001128778152 813797816 /nfs/dbraw/zinc/79/78/16/813797816.db2.gz BNTXZWOQPDOWOI-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](C)O ZINC001128786799 813799998 /nfs/dbraw/zinc/79/99/98/813799998.db2.gz WDGTYMDBTTXYFR-RYUDHWBXSA-N 2 0 257.378 -0.053 20 0 CBADRP CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129220260 813825642 /nfs/dbraw/zinc/82/56/42/813825642.db2.gz UCXOSPKMZQVHCC-OLZOCXBDSA-N 2 0 294.403 -0.019 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C)C1 ZINC001129328317 813836177 /nfs/dbraw/zinc/83/61/77/813836177.db2.gz OGFWQCMTOWRBJH-ZDUSSCGKSA-N 2 0 298.431 -0.242 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129350688 813836925 /nfs/dbraw/zinc/83/69/25/813836925.db2.gz FDVYPYXZFXXJFA-UHFFFAOYSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH+](C)C1(C(=O)NCC[NH2+]CC(=O)NCC2CC2)CCC1 ZINC001129352388 813837008 /nfs/dbraw/zinc/83/70/08/813837008.db2.gz ZYOCVNHUYOTTKL-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129352379 813837326 /nfs/dbraw/zinc/83/73/26/813837326.db2.gz ZHCFLMZWKIQRJE-UHFFFAOYSA-N 2 0 280.376 -0.495 20 0 CBADRP C[NH+](C)C1(C(=O)NCC[NH2+]CCOCCO)CCC1 ZINC001129357995 813840005 /nfs/dbraw/zinc/84/00/05/813840005.db2.gz PBGCWCUXSPAHNS-UHFFFAOYSA-N 2 0 273.377 -0.815 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)C(=O)NC1CC1 ZINC001129363569 813840219 /nfs/dbraw/zinc/84/02/19/813840219.db2.gz JUNBPQQOKAPGAF-NSHDSACASA-N 2 0 296.415 -0.156 20 0 CBADRP CN(C(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C)C1CC1 ZINC001129436725 813841630 /nfs/dbraw/zinc/84/16/30/813841630.db2.gz RUVADRSHBVHSJQ-CQSZACIVSA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+]CCO ZINC001129423310 813841740 /nfs/dbraw/zinc/84/17/40/813841740.db2.gz RWJULTFSLUZRNH-LBPRGKRZSA-N 2 0 257.378 -0.053 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001129418991 813841925 /nfs/dbraw/zinc/84/19/25/813841925.db2.gz ZTGUHRZPLAITPK-STQMWFEESA-N 2 0 296.415 -0.156 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435168 813842235 /nfs/dbraw/zinc/84/22/35/813842235.db2.gz CNZVSPWMXUBRPO-GFCCVEGCSA-N 2 0 270.377 -0.879 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001129422730 813843671 /nfs/dbraw/zinc/84/36/71/813843671.db2.gz LHNSRPVMRUNBDN-RYUDHWBXSA-N 2 0 284.404 -0.171 20 0 CBADRP Cn1cncc1C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129437204 813844401 /nfs/dbraw/zinc/84/44/01/813844401.db2.gz XRCSYEPVTJYAFO-CYBMUJFWSA-N 2 0 279.388 -0.034 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1=O ZINC001129443325 813844495 /nfs/dbraw/zinc/84/44/95/813844495.db2.gz IXQNNHHPQUHHKX-CHWSQXEVSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129444541 813845020 /nfs/dbraw/zinc/84/50/20/813845020.db2.gz UVBNPOCHYVUBJC-MWLCHTKSSA-N 2 0 270.377 -0.833 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001129842006 813869518 /nfs/dbraw/zinc/86/95/18/813869518.db2.gz RQMVWRRMWNOHMJ-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001129856555 813872063 /nfs/dbraw/zinc/87/20/63/813872063.db2.gz UDNSGHLLWUJKFV-CYBMUJFWSA-N 2 0 296.415 -0.155 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CCNC(=O)C1CC1)[NH+](C)C ZINC001129949244 813882569 /nfs/dbraw/zinc/88/25/69/813882569.db2.gz AFZSTXKBPMPBCH-ZDUSSCGKSA-N 2 0 298.431 -0.195 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O)[NH+](C)C ZINC001129947011 813882598 /nfs/dbraw/zinc/88/25/98/813882598.db2.gz FILVLQCFAYHOTA-STQMWFEESA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001129947086 813882885 /nfs/dbraw/zinc/88/28/85/813882885.db2.gz JMZDLPWGDNCTNT-LBPRGKRZSA-N 2 0 282.392 -0.393 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C ZINC001129949410 813883265 /nfs/dbraw/zinc/88/32/65/813883265.db2.gz CLYIXEPZBVZASD-RYUDHWBXSA-N 2 0 284.404 -0.491 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130173735 813914676 /nfs/dbraw/zinc/91/46/76/813914676.db2.gz MOXUGETYKAQGFI-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130189967 813915444 /nfs/dbraw/zinc/91/54/44/813915444.db2.gz UJMNJCWOCWCLSV-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)N(C)CC1CC1)[NH+](C)C ZINC001130197906 813915483 /nfs/dbraw/zinc/91/54/83/813915483.db2.gz QVERJILYFMPQBO-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130188577 813916386 /nfs/dbraw/zinc/91/63/86/813916386.db2.gz GQKUHCVGEUBFBL-VXGBXAGGSA-N 2 0 255.362 -0.299 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]Cc1ccnn1C)[NH+](C)C ZINC001130198163 813916566 /nfs/dbraw/zinc/91/65/66/813916566.db2.gz YAVGADDVLLMUSL-GFCCVEGCSA-N 2 0 267.377 -0.034 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]Cc1cnn(C)c1)[NH+](C)C ZINC001130197914 813916587 /nfs/dbraw/zinc/91/65/87/813916587.db2.gz QZMAXWPGKAXZML-GFCCVEGCSA-N 2 0 267.377 -0.034 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)NC1CC1)[NH+](C)C ZINC001130198121 813916786 /nfs/dbraw/zinc/91/67/86/813916786.db2.gz VSKCPNWBEZOMSG-LLVKDONJSA-N 2 0 270.377 -0.689 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001130201002 813916889 /nfs/dbraw/zinc/91/68/89/813916889.db2.gz RZGNNIYTANCPPZ-NWDGAFQWSA-N 2 0 286.420 -0.053 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130186244 813916925 /nfs/dbraw/zinc/91/69/25/813916925.db2.gz DJXRPEGSSYGOEG-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)NC ZINC001130419064 813938636 /nfs/dbraw/zinc/93/86/36/813938636.db2.gz JYONGZVTSAWNDK-UHFFFAOYSA-N 2 0 258.366 -0.832 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)N(C)C ZINC001130304013 813924375 /nfs/dbraw/zinc/92/43/75/813924375.db2.gz QJVJLCHGMYPKNU-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130300872 813924537 /nfs/dbraw/zinc/92/45/37/813924537.db2.gz WRDDODKXIHQEJV-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001130425284 813938039 /nfs/dbraw/zinc/93/80/39/813938039.db2.gz RMEOEIZQHPLION-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1cnnn1C ZINC001130419254 813938839 /nfs/dbraw/zinc/93/88/39/813938839.db2.gz RJVJGPGNBYXFAZ-UHFFFAOYSA-N 2 0 282.392 -0.249 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130711635 813968010 /nfs/dbraw/zinc/96/80/10/813968010.db2.gz YQIQFSKBWLMXFC-GFCCVEGCSA-N 2 0 284.404 -0.441 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131370505 814024750 /nfs/dbraw/zinc/02/47/50/814024750.db2.gz MKVBATZUISYCEA-UHFFFAOYSA-N 2 0 261.285 -0.861 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520286 814037478 /nfs/dbraw/zinc/03/74/78/814037478.db2.gz WWUOTHCOCZMKTM-MBHSVXNSSA-N 2 0 283.372 -0.798 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131789958 814069524 /nfs/dbraw/zinc/06/95/24/814069524.db2.gz BVMOHTXBFUIPRD-DGCLKSJQSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)(C(=O)NCC[NH2+][C@H]1CCNC1=O)[NH+]1CCCC1 ZINC001132283953 814120703 /nfs/dbraw/zinc/12/07/03/814120703.db2.gz PSCKPUIHSWBNSJ-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132284086 814121880 /nfs/dbraw/zinc/12/18/80/814121880.db2.gz VNUHSOWNKPTYAE-LLVKDONJSA-N 2 0 257.378 -0.053 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001132736916 814182151 /nfs/dbraw/zinc/18/21/51/814182151.db2.gz GDRQNYHGZWCRMD-QWHCGFSZSA-N 2 0 296.415 -0.297 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001132736914 814182519 /nfs/dbraw/zinc/18/25/19/814182519.db2.gz GDRQNYHGZWCRMD-CHWSQXEVSA-N 2 0 296.415 -0.297 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)C1 ZINC001132738045 814183301 /nfs/dbraw/zinc/18/33/01/814183301.db2.gz UMLGPNXDTOLGTF-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP CO[C@H](C)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848822 814193516 /nfs/dbraw/zinc/19/35/16/814193516.db2.gz SWEKIAYBTCIKRF-OLZOCXBDSA-N 2 0 287.404 -0.164 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+][C@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001132893696 814200012 /nfs/dbraw/zinc/20/00/12/814200012.db2.gz XZLBPWMDEUYWIP-AVGNSLFASA-N 2 0 296.415 -0.347 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993419 814206367 /nfs/dbraw/zinc/20/63/67/814206367.db2.gz SVWCFLJWQHWBDB-NSHDSACASA-N 2 0 273.377 -0.959 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CCN2CCNC2=O)CC1 ZINC001132995291 814207466 /nfs/dbraw/zinc/20/74/66/814207466.db2.gz QMQILYMZNCOPEF-UHFFFAOYSA-N 2 0 297.403 -0.941 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993248 814207615 /nfs/dbraw/zinc/20/76/15/814207615.db2.gz PRPOITLJXJRNKR-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP CN1CCC[C@@H]([NH2+]CCNC(=O)CCC[NH+](C)C)C1=O ZINC001133040571 814211460 /nfs/dbraw/zinc/21/14/60/814211460.db2.gz XGFBXGQYUITTKD-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP Cn1cncc1C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040470 814211705 /nfs/dbraw/zinc/21/17/05/814211705.db2.gz SHTXEBKSNIVBLF-UHFFFAOYSA-N 2 0 267.377 -0.032 20 0 CBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040414 814211792 /nfs/dbraw/zinc/21/17/92/814211792.db2.gz PYUOASLKPJCESQ-GFCCVEGCSA-N 2 0 286.420 -0.051 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040518 814211907 /nfs/dbraw/zinc/21/19/07/814211907.db2.gz UVEQFNPPDMLNFO-UHFFFAOYSA-N 2 0 268.365 -0.637 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)CCC[NH+](C)C)C(=O)NC1CC1 ZINC001133051995 814212242 /nfs/dbraw/zinc/21/22/42/814212242.db2.gz XJANNNIHFRQFRC-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133051991 814212535 /nfs/dbraw/zinc/21/25/35/814212535.db2.gz XFFKQURWKCBOGA-LBPRGKRZSA-N 2 0 286.420 -0.051 20 0 CBADRP C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CC(N)=O ZINC001133090321 814214627 /nfs/dbraw/zinc/21/46/27/814214627.db2.gz GFRKSYDDSFVUMD-RYUDHWBXSA-N 2 0 284.404 -0.502 20 0 CBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CCn2cncn2)CC1 ZINC001133281529 814235370 /nfs/dbraw/zinc/23/53/70/814235370.db2.gz AWGWTRCHROLODR-UHFFFAOYSA-N 2 0 280.376 -0.674 20 0 CBADRP CN1CCC[C@@H]([NH2+]CCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001133288469 814236431 /nfs/dbraw/zinc/23/64/31/814236431.db2.gz XLPMSWMYSLCQHA-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP Cc1noc(CCC[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133298153 814239544 /nfs/dbraw/zinc/23/95/44/814239544.db2.gz YUVMNGNGTXRJLA-UHFFFAOYSA-N 2 0 283.376 -0.032 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC)[NH+](CC)CC ZINC001133690233 814287153 /nfs/dbraw/zinc/28/71/53/814287153.db2.gz JQNBDLZZZKGACH-NWDGAFQWSA-N 2 0 286.420 -0.053 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC)[NH+](CC)CC ZINC001133690234 814287313 /nfs/dbraw/zinc/28/73/13/814287313.db2.gz JQNBDLZZZKGACH-RYUDHWBXSA-N 2 0 286.420 -0.053 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COC)[NH+](CC)CC ZINC001133684164 814287341 /nfs/dbraw/zinc/28/73/41/814287341.db2.gz FBTQHWRYRRJPBN-OLZOCXBDSA-N 2 0 289.420 -0.180 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)[NH+](CC)CC ZINC001133684973 814287660 /nfs/dbraw/zinc/28/76/60/814287660.db2.gz OEJJOTWHNVQIER-GHMZBOCLSA-N 2 0 272.393 -0.314 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001133845510 814307508 /nfs/dbraw/zinc/30/75/08/814307508.db2.gz HPYNFSAJQJATOG-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CCn2cccn2)C1 ZINC001133845446 814307963 /nfs/dbraw/zinc/30/79/63/814307963.db2.gz GDIBUPAPZYTZBW-CYBMUJFWSA-N 2 0 279.388 -0.069 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1=O ZINC001133845691 814308192 /nfs/dbraw/zinc/30/81/92/814308192.db2.gz LRVYXRJATQOIGB-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(N)=O ZINC001133845740 814308407 /nfs/dbraw/zinc/30/84/07/814308407.db2.gz MMYIZTWVTVPFGJ-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001133845636 814308572 /nfs/dbraw/zinc/30/85/72/814308572.db2.gz KIECXTQFUHSBEA-NEPJUHHUSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001133845638 814309176 /nfs/dbraw/zinc/30/91/76/814309176.db2.gz KIECXTQFUHSBEA-RYUDHWBXSA-N 2 0 282.388 -0.687 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845475 814309249 /nfs/dbraw/zinc/30/92/49/814309249.db2.gz GZCNVLGICRBHSQ-ZDUSSCGKSA-N 2 0 298.431 -0.194 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCn1cccn1 ZINC001133862844 814310560 /nfs/dbraw/zinc/31/05/60/814310560.db2.gz GUTDAQBSZSWGJA-STQMWFEESA-N 2 0 279.388 -0.213 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001133862835 814310646 /nfs/dbraw/zinc/31/06/46/814310646.db2.gz GTTJWHZLJMLWBG-CHWSQXEVSA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2cnn(C)c2)C1 ZINC001133853656 814311281 /nfs/dbraw/zinc/31/12/81/814311281.db2.gz NOLNSDLIKGACPC-LBPRGKRZSA-N 2 0 279.388 -0.032 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133862059 814311517 /nfs/dbraw/zinc/31/15/17/814311517.db2.gz AJHLYIKVXDGELW-STQMWFEESA-N 2 0 287.404 -0.447 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001133864016 814312885 /nfs/dbraw/zinc/31/28/85/814312885.db2.gz SWRQQFSCPFXDBB-GXTWGEPZSA-N 2 0 293.415 -0.134 20 0 CBADRP CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133867277 814313710 /nfs/dbraw/zinc/31/37/10/814313710.db2.gz TUYMDENOYXLFAR-VXGBXAGGSA-N 2 0 257.378 -0.074 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133869278 814314391 /nfs/dbraw/zinc/31/43/91/814314391.db2.gz CIFXSGNEBGSRIS-OLZOCXBDSA-N 2 0 298.431 -0.243 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001133866712 814315642 /nfs/dbraw/zinc/31/56/42/814315642.db2.gz OBHOBONSQHPLIK-CHWSQXEVSA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001133868152 814315894 /nfs/dbraw/zinc/31/58/94/814315894.db2.gz ZXRVVEYEVVUKCJ-NWDGAFQWSA-N 2 0 282.388 -0.878 20 0 CBADRP CCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133870427 814317072 /nfs/dbraw/zinc/31/70/72/814317072.db2.gz SZBSYMFYEQRGKZ-OLZOCXBDSA-N 2 0 298.431 -0.194 20 0 CBADRP C[N@H+](CCc1ccccc1)CC(=O)NCC[NH2+]CCO ZINC001133922116 814325535 /nfs/dbraw/zinc/32/55/35/814325535.db2.gz QGZNQOQCLWAMQW-UHFFFAOYSA-N 2 0 279.384 -0.141 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)N[C@H](C)C1CC1)[NH+](C)C ZINC001133968545 814330579 /nfs/dbraw/zinc/33/05/79/814330579.db2.gz YQYZDHWDYJGISZ-YPMHNXCESA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCCC1)[NH+](C)C ZINC001133968237 814331208 /nfs/dbraw/zinc/33/12/08/814331208.db2.gz SHTJTTXKWRLUAL-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)[C@H](CC)[NH+](C)C)C(N)=O ZINC001133966054 814331216 /nfs/dbraw/zinc/33/12/16/814331216.db2.gz VRSKAIZJBUEOTD-ZJUUUORDSA-N 2 0 258.366 -0.704 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134020883 814339645 /nfs/dbraw/zinc/33/96/45/814339645.db2.gz JJKOBXRWOFUOEZ-QWHCGFSZSA-N 2 0 287.404 -0.426 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134750332 814411187 /nfs/dbraw/zinc/41/11/87/814411187.db2.gz UWSMQGWTGKYIIL-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780437 814412487 /nfs/dbraw/zinc/41/24/87/814412487.db2.gz GYKFAZNRWADNER-LLVKDONJSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)CC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001134780763 814413131 /nfs/dbraw/zinc/41/31/31/814413131.db2.gz VRQGZDGWEIWPQI-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134775926 814413461 /nfs/dbraw/zinc/41/34/61/814413461.db2.gz CYCZLCKXSIFGFL-UHFFFAOYSA-N 2 0 270.377 -0.830 20 0 CBADRP O=C(NCC[NH2+]CCOCCO)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135095677 814436736 /nfs/dbraw/zinc/43/67/36/814436736.db2.gz NRFAORRSGDXSRJ-KBPBESRZSA-N 2 0 299.415 -0.282 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135102232 814437498 /nfs/dbraw/zinc/43/74/98/814437498.db2.gz AIYDYSRIVNPMEN-NEPJUHHUSA-N 2 0 255.362 -0.299 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135102234 814437509 /nfs/dbraw/zinc/43/75/09/814437509.db2.gz AIYDYSRIVNPMEN-RYUDHWBXSA-N 2 0 255.362 -0.299 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135095232 814438319 /nfs/dbraw/zinc/43/83/19/814438319.db2.gz BIXJDKPBISYWQE-WDEREUQCSA-N 2 0 268.361 -0.806 20 0 CBADRP C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CCC[NH+](C)C ZINC001135314393 814460531 /nfs/dbraw/zinc/46/05/31/814460531.db2.gz ABTHSASARUFWOX-QWRGUYRKSA-N 2 0 272.393 -0.314 20 0 CBADRP CCCNC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159917461 815604930 /nfs/dbraw/zinc/60/49/30/815604930.db2.gz WWZCCMURPJGWEX-AWEZNQCLSA-N 2 0 298.431 -0.051 20 0 CBADRP Cn1cnnc1C[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997563 815606069 /nfs/dbraw/zinc/60/60/69/815606069.db2.gz SBOFYXFFNMAUEC-UHFFFAOYSA-N 2 0 294.403 -0.105 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135372863 814470470 /nfs/dbraw/zinc/47/04/70/814470470.db2.gz UAOUYKGOQJTIJP-QWRGUYRKSA-N 2 0 272.393 -0.443 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159932556 815606651 /nfs/dbraw/zinc/60/66/51/815606651.db2.gz RUOXUZQDXZSWFV-ZYHUDNBSSA-N 2 0 284.404 -0.443 20 0 CBADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NC ZINC001135437082 814475250 /nfs/dbraw/zinc/47/52/50/814475250.db2.gz NAPNXPLYOCLQHZ-UHFFFAOYSA-N 2 0 286.420 -0.050 20 0 CBADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]CC(=O)NC)C(C)C ZINC001135474533 814477398 /nfs/dbraw/zinc/47/73/98/814477398.db2.gz SKYCRFZQMSQCSZ-CYBMUJFWSA-N 2 0 286.420 -0.195 20 0 CBADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)C(C)C ZINC001135474137 814477652 /nfs/dbraw/zinc/47/76/52/814477652.db2.gz HVJOGMLTSZGLPA-VXGBXAGGSA-N 2 0 286.420 -0.068 20 0 CBADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)C(C)C ZINC001135474135 814477904 /nfs/dbraw/zinc/47/79/04/814477904.db2.gz HVJOGMLTSZGLPA-NWDGAFQWSA-N 2 0 286.420 -0.068 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001135510652 814478733 /nfs/dbraw/zinc/47/87/33/814478733.db2.gz DPGJMXLRFLYZDK-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001135508682 814479079 /nfs/dbraw/zinc/47/90/79/814479079.db2.gz VWQGRJXHAQHOGQ-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001135513288 814481129 /nfs/dbraw/zinc/48/11/29/814481129.db2.gz LBUOYTQBUQHXBC-UHFFFAOYSA-N 2 0 297.359 -0.339 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)C[NH+](CC)CC)C(N)=O ZINC001135513383 814481554 /nfs/dbraw/zinc/48/15/54/814481554.db2.gz NIRHQFANDOKOCD-JTQLQIEISA-N 2 0 258.366 -0.702 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135510900 814482149 /nfs/dbraw/zinc/48/21/49/814482149.db2.gz HXCXATNZQZOWFN-UHFFFAOYSA-N 2 0 272.393 -0.440 20 0 CBADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155069 815610720 /nfs/dbraw/zinc/61/07/20/815610720.db2.gz DMSBXFZLQJASQQ-CRWXNKLISA-N 2 0 295.383 -0.969 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001160272470 815614436 /nfs/dbraw/zinc/61/44/36/815614436.db2.gz AVXNAJYWKYCWLL-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001160274195 815614571 /nfs/dbraw/zinc/61/45/71/815614571.db2.gz QKVNYNUIBDXKCW-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C[NH+]1CCC(C)CC1)C(N)=O ZINC001135688148 814510386 /nfs/dbraw/zinc/51/03/86/814510386.db2.gz DHGQPWJBFPCCFV-NSHDSACASA-N 2 0 270.377 -0.702 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)C[NH+]1CCC(C)CC1)C(N)=O ZINC001135702213 814511614 /nfs/dbraw/zinc/51/16/14/814511614.db2.gz BHVORWSBTFYZBU-GFCCVEGCSA-N 2 0 284.404 -0.312 20 0 CBADRP CC1CC[NH+](CC(=O)NCC[NH2+][C@H]2CCNC2=O)CC1 ZINC001135688609 814512051 /nfs/dbraw/zinc/51/20/51/814512051.db2.gz YCNJJRLXCNYUCB-LBPRGKRZSA-N 2 0 282.388 -0.687 20 0 CBADRP CC1CC[NH+](CC(=O)NCC[NH2+]Cc2cnnn2C)CC1 ZINC001135706984 814512893 /nfs/dbraw/zinc/51/28/93/814512893.db2.gz QBYKISLRQZQBRZ-UHFFFAOYSA-N 2 0 294.403 -0.247 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001135744213 814517878 /nfs/dbraw/zinc/51/78/78/814517878.db2.gz XVNQCIVLWDKIED-QWRGUYRKSA-N 2 0 272.393 -0.314 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001160403675 815617944 /nfs/dbraw/zinc/61/79/44/815617944.db2.gz DQNWTZXOCVEARY-IGQOVBAYSA-N 2 0 297.399 -0.295 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160426678 815619028 /nfs/dbraw/zinc/61/90/28/815619028.db2.gz ISTMKOOGCHBDAQ-NEPJUHHUSA-N 2 0 286.420 -0.197 20 0 CBADRP C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938417 814539370 /nfs/dbraw/zinc/53/93/70/814539370.db2.gz IZALGKRTJKMKJZ-WDEREUQCSA-N 2 0 282.388 -0.560 20 0 CBADRP CO[C@H](C)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959597 814541368 /nfs/dbraw/zinc/54/13/68/814541368.db2.gz QIUWKPJBLYIWIG-GFCCVEGCSA-N 2 0 287.404 -0.162 20 0 CBADRP C[C@H](C[C@H](C)[NH2+]CCO)NC(=O)C12CC[NH+](CC1)C2 ZINC001135956057 814541404 /nfs/dbraw/zinc/54/14/04/814541404.db2.gz OUBRERCOVGLTQA-NWDGAFQWSA-N 2 0 269.389 -0.053 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001135981088 814542552 /nfs/dbraw/zinc/54/25/52/814542552.db2.gz XLMJHPAGVGNUDC-QWRGUYRKSA-N 2 0 272.393 -0.314 20 0 CBADRP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001141196526 814649853 /nfs/dbraw/zinc/64/98/53/814649853.db2.gz FZCIHWPEXWHBSR-OWTLIXCDSA-N 2 0 267.373 -0.396 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CCn1cccn1 ZINC001141845359 814667916 /nfs/dbraw/zinc/66/79/16/814667916.db2.gz LYWSGIGGNDMLOT-UHFFFAOYSA-N 2 0 252.322 -0.266 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cc1nnc(C)o1 ZINC001142007458 814680151 /nfs/dbraw/zinc/68/01/51/814680151.db2.gz IUNCJCYHLQVPFZ-UHFFFAOYSA-N 2 0 282.348 -0.016 20 0 CBADRP C[NH+]1CC(C(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)C1 ZINC001142595474 814723170 /nfs/dbraw/zinc/72/31/70/814723170.db2.gz AGEXSIBSQOLWTO-ZDUSSCGKSA-N 2 0 267.373 -0.129 20 0 CBADRP N=c1ncc(C[NH3+])cn1C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001142637219 814727126 /nfs/dbraw/zinc/72/71/26/814727126.db2.gz BKIXLQAZJHGGKD-LLVKDONJSA-N 2 0 261.329 -0.054 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@H]1Nc1nc(Cl)nc2c1CC[NH2+]C2 ZINC001159673017 815584497 /nfs/dbraw/zinc/58/44/97/815584497.db2.gz UJUPZUORRNHYBT-IONNQARKSA-N 2 0 283.763 -0.232 20 0 CBADRP OC[C@H]1C[NH2+]C[C@H]1Nc1nc(Cl)nc2c1C[NH2+]CC2 ZINC001159673391 815585954 /nfs/dbraw/zinc/58/59/54/815585954.db2.gz WOISNXGTLDLTGB-GMSGAONNSA-N 2 0 283.763 -0.232 20 0 CBADRP OC[C@H]1C[NH2+]C[C@H]1Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC001159680556 815587667 /nfs/dbraw/zinc/58/76/67/815587667.db2.gz KCWZBLTUMNQXDD-DGCLKSJQSA-N 2 0 277.372 -0.517 20 0 CBADRP C[NH+]1CCN(CCC(=O)N(CCCC[NH3+])C(N)=[NH2+])CC1 ZINC001143236695 814765068 /nfs/dbraw/zinc/76/50/68/814765068.db2.gz QRUZACLDNCUORZ-UHFFFAOYSA-N 3 0 284.408 -0.915 20 0 CBADRP CN(CC(=O)N[C@@H]1CCN(c2ccccn2)C1)C(N)=[NH2+] ZINC001144141141 814773573 /nfs/dbraw/zinc/77/35/73/814773573.db2.gz ALUPPBSKSZXYHD-SNVBAGLBSA-N 2 0 276.344 -0.398 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@H]2C1 ZINC001144138017 814773590 /nfs/dbraw/zinc/77/35/90/814773590.db2.gz ZQWWMFLTGXOCJS-GHMZBOCLSA-N 2 0 267.377 -0.388 20 0 CBADRP C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001146341490 814837777 /nfs/dbraw/zinc/83/77/77/814837777.db2.gz YYZWINKCOMPABA-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H](C[C@H](C)[NH2+]CCO)NC(=O)C[NH+]1CCCC1 ZINC001146408723 814838630 /nfs/dbraw/zinc/83/86/30/814838630.db2.gz ONZHBTCWUYNYON-RYUDHWBXSA-N 2 0 257.378 -0.053 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001146709780 814843968 /nfs/dbraw/zinc/84/39/68/814843968.db2.gz DMEZZSSTMLRJMN-LBPRGKRZSA-N 2 0 294.403 -0.187 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001146719964 814844725 /nfs/dbraw/zinc/84/47/25/814844725.db2.gz YLJUVSLYXPHROI-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146719692 814844930 /nfs/dbraw/zinc/84/49/30/814844930.db2.gz UXQAMPNFCWHZEL-GFCCVEGCSA-N 2 0 286.420 -0.051 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001146719294 814845204 /nfs/dbraw/zinc/84/52/04/814845204.db2.gz OTUCNEYMIOGIMT-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001146719711 814845447 /nfs/dbraw/zinc/84/54/47/814845447.db2.gz VZVDPEYLDHMNKX-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001146719712 814845633 /nfs/dbraw/zinc/84/56/33/814845633.db2.gz VZVDPEYLDHMNKX-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[NH+]1CCC(C(=O)N(CC[NH3+])S(C)(=O)=O)CC1 ZINC001146774070 814846493 /nfs/dbraw/zinc/84/64/93/814846493.db2.gz ZRBXGOIDQIGKGF-UHFFFAOYSA-N 2 0 277.390 -0.535 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001147301448 814888001 /nfs/dbraw/zinc/88/80/01/814888001.db2.gz YIVQGLOGNMAZDX-NSHDSACASA-N 2 0 296.415 -0.312 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147826281 814917391 /nfs/dbraw/zinc/91/73/91/814917391.db2.gz UVFYJOCCELDYPD-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147824397 814917549 /nfs/dbraw/zinc/91/75/49/814917549.db2.gz JGBFKYMNNCMZBS-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001147826240 814917713 /nfs/dbraw/zinc/91/77/13/814917713.db2.gz SXUYEFDNZLVHSS-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147824398 814918275 /nfs/dbraw/zinc/91/82/75/814918275.db2.gz JGBFKYMNNCMZBS-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP Cn1cncc1C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147841236 814919954 /nfs/dbraw/zinc/91/99/54/814919954.db2.gz ALNXCPRKWCDFPN-UHFFFAOYSA-N 2 0 283.376 -0.796 20 0 CBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@@H]1CCCOC1 ZINC001147848650 814920188 /nfs/dbraw/zinc/92/01/88/814920188.db2.gz RLQBYDMUKMKDKK-ZDUSSCGKSA-N 2 0 287.404 -0.303 20 0 CBADRP Cn1cc(C[NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)cn1 ZINC001147878440 814922141 /nfs/dbraw/zinc/92/21/41/814922141.db2.gz YVYCWCYFSMDHEO-GFCCVEGCSA-N 2 0 279.388 -0.032 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147878476 814922921 /nfs/dbraw/zinc/92/29/21/814922921.db2.gz ZSULTRSOPMCBCG-LBPRGKRZSA-N 2 0 294.403 -0.154 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001147885960 814923017 /nfs/dbraw/zinc/92/30/17/814923017.db2.gz QOCNZAKMDRISPM-LBPRGKRZSA-N 2 0 297.403 -0.941 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001147893451 814923735 /nfs/dbraw/zinc/92/37/35/814923735.db2.gz QQEJTYQKSJKDFK-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001147892094 814923899 /nfs/dbraw/zinc/92/38/99/814923899.db2.gz HZGNUPPDQHWEGP-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP Cn1nnnc1C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159916318 815603901 /nfs/dbraw/zinc/60/39/01/815603901.db2.gz QXGYOQUUNYQQKI-GFCCVEGCSA-N 2 0 295.391 -0.854 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159917079 815604093 /nfs/dbraw/zinc/60/40/93/815604093.db2.gz UJNCELVOBVQKTE-CQSZACIVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCC1)C1CC1 ZINC001159914188 815604529 /nfs/dbraw/zinc/60/45/29/815604529.db2.gz BEXBGRJFKWZFLG-AWEZNQCLSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155195 815610175 /nfs/dbraw/zinc/61/01/75/815610175.db2.gz GDPHCNSTBJTNJY-WCFLWFBJSA-N 2 0 267.373 -0.097 20 0 CBADRP COCCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C(C)C ZINC001160463968 815624869 /nfs/dbraw/zinc/62/48/69/815624869.db2.gz SFXANINHIWREQK-JTQLQIEISA-N 2 0 263.407 -0.111 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160458761 815625548 /nfs/dbraw/zinc/62/55/48/815625548.db2.gz DCCQZZFAPPHFGN-LBPRGKRZSA-N 3 0 256.394 -0.099 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC2(C1)OCCO2 ZINC001160471475 815626192 /nfs/dbraw/zinc/62/61/92/815626192.db2.gz ZLNPWDTVCPEZBV-JTQLQIEISA-N 2 0 257.334 -0.582 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490591 815627912 /nfs/dbraw/zinc/62/79/12/815627912.db2.gz DAYZUKNBYXELDQ-STQMWFEESA-N 2 0 283.372 -0.968 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001160491260 815630296 /nfs/dbraw/zinc/63/02/96/815630296.db2.gz ZPFXSYZQQCUPNS-ZDUSSCGKSA-N 3 0 284.404 -0.624 20 0 CBADRP [NH3+]C[C@]1(Nc2ncnc3c2CC[NH2+]C3)CN2CCC1CC2 ZINC001160511265 815631089 /nfs/dbraw/zinc/63/10/89/815631089.db2.gz NMVXTLWPKIOQOK-HNNXBMFYSA-N 2 0 288.399 -0.043 20 0 CBADRP [NH3+]C1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160511889 815632399 /nfs/dbraw/zinc/63/23/99/815632399.db2.gz XPKZEXHKPNLLIJ-GFCCVEGCSA-N 2 0 266.389 -0.190 20 0 CBADRP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCC([NH3+])CC2)C1 ZINC001160515628 815632514 /nfs/dbraw/zinc/63/25/14/815632514.db2.gz PJYFQLBXBZUZED-JTQLQIEISA-N 2 0 269.345 -0.569 20 0 CBADRP [NH3+]C[C@]1(Nc2cc3c(nn2)CC[NH2+]C3)CN2CCC1CC2 ZINC001160512476 815632594 /nfs/dbraw/zinc/63/25/94/815632594.db2.gz CBAXTUSYEDSBKN-HNNXBMFYSA-N 3 0 288.399 -0.043 20 0 CBADRP [NH3+]C1CCN(C(=O)[C@@H]2C[NH2+]C[C@@H]3CCO[C@H]32)CC1 ZINC001160515594 815632758 /nfs/dbraw/zinc/63/27/58/815632758.db2.gz NWDBBTGEJPJQCW-MVWJERBFSA-N 2 0 253.346 -0.439 20 0 CBADRP [NH3+]C1CCN(C(=O)C2([NH3+])CCC3(CC2)OCCO3)CC1 ZINC001160514234 815633069 /nfs/dbraw/zinc/63/30/69/815633069.db2.gz QPTLIFOIASXWRX-UHFFFAOYSA-N 2 0 283.372 -0.049 20 0 CBADRP [NH3+]C[C@@]1(Nc2cc3c(nn2)CC[NH2+]C3)CN2CCC1CC2 ZINC001160512477 815633156 /nfs/dbraw/zinc/63/31/56/815633156.db2.gz CBAXTUSYEDSBKN-OAHLLOKOSA-N 3 0 288.399 -0.043 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]([NH3+])CN2)CC1 ZINC001160537625 815634101 /nfs/dbraw/zinc/63/41/01/815634101.db2.gz NVKCGKLTFIOERB-PWSUYJOCSA-N 2 0 254.378 -0.382 20 0 CBADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001160539631 815634142 /nfs/dbraw/zinc/63/41/42/815634142.db2.gz YYAUCSLOBARSIO-IINYFYTJSA-N 2 0 290.371 -0.492 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001160538404 815634635 /nfs/dbraw/zinc/63/46/35/815634635.db2.gz XHYBVQSADIVGEB-NWDGAFQWSA-N 2 0 255.362 -0.491 20 0 CBADRP CN(CC1(C)COC1)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160544060 815635290 /nfs/dbraw/zinc/63/52/90/815635290.db2.gz FHCNYJDFJNGRIE-SNVBAGLBSA-N 2 0 253.346 -0.710 20 0 CBADRP CN(CC1(C)COC1)C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001160549714 815637536 /nfs/dbraw/zinc/63/75/36/815637536.db2.gz VTHXFQCGCWXSDM-NSHDSACASA-N 2 0 255.362 -0.192 20 0 CBADRP COC(=O)C[C@H]1CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCO1 ZINC001160596935 815644475 /nfs/dbraw/zinc/64/44/75/815644475.db2.gz XPORMZOCXRCCFF-WCQYABFASA-N 2 0 299.371 -0.896 20 0 CBADRP [NH3+][C@H](C(=O)N1CCC[C@@H](CCO)C1)C1CC[NH2+]CC1 ZINC001160612478 815645012 /nfs/dbraw/zinc/64/50/12/815645012.db2.gz ZRDOMRMCXSBLBM-AAEUAGOBSA-N 2 0 269.389 -0.066 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC[C@@H](CCO)C1 ZINC001160611394 815645650 /nfs/dbraw/zinc/64/56/50/815645650.db2.gz UGDLGDSYHKUBFC-JSGCOSHPSA-N 2 0 298.431 -0.642 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC001160636568 815647520 /nfs/dbraw/zinc/64/75/20/815647520.db2.gz INCBBXLCKGZITH-GHMZBOCLSA-N 2 0 266.349 -0.492 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC001160636570 815647630 /nfs/dbraw/zinc/64/76/30/815647630.db2.gz INCBBXLCKGZITH-MNOVXSKESA-N 2 0 266.349 -0.492 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC(C)([NH+](C)C)C1 ZINC001160644490 815650657 /nfs/dbraw/zinc/65/06/57/815650657.db2.gz DIXIYHINBNPCQR-NSHDSACASA-N 2 0 265.361 -0.548 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2cccc(O)c2)CCO1 ZINC001160644071 815651047 /nfs/dbraw/zinc/65/10/47/815651047.db2.gz RKAVUDUJGANULE-STQMWFEESA-N 2 0 279.340 -0.552 20 0 CBADRP C[NH+](C)C1(C)CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001160646396 815651439 /nfs/dbraw/zinc/65/14/39/815651439.db2.gz YSDUFVCLDLKQTK-BXUZGUMPSA-N 3 0 266.389 -0.652 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647339 815651691 /nfs/dbraw/zinc/65/16/91/815651691.db2.gz HTPPSFXKVFWNMU-MNOVXSKESA-N 2 0 268.361 -0.724 20 0 CBADRP C[NH+](C)C1(C)CN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC001160646380 815652035 /nfs/dbraw/zinc/65/20/35/815652035.db2.gz YNRZRFPXKBXXMP-NSHDSACASA-N 2 0 282.388 -0.511 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1)[C@@H](C)OC(C)(C)C ZINC001160653110 815653180 /nfs/dbraw/zinc/65/31/80/815653180.db2.gz USDIILRJKYUYCT-KKOKHZNYSA-N 2 0 287.404 -0.302 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1)C1Cc2ccccc2C1 ZINC001160652929 815653500 /nfs/dbraw/zinc/65/35/00/815653500.db2.gz QXCYIXMWXBBMPD-KFWWJZLASA-N 2 0 289.379 -0.351 20 0 CBADRP CN(C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C1(C)COC1 ZINC001160663489 815653940 /nfs/dbraw/zinc/65/39/40/815653940.db2.gz OZPBZRVHCNWEKU-ZWNOBZJWSA-N 2 0 253.346 -0.567 20 0 CBADRP CC1(C)CN(C2CN(C(=O)[C@H]([NH3+])CCC[NH3+])C2)CCO1 ZINC001160663203 815654652 /nfs/dbraw/zinc/65/46/52/815654652.db2.gz JPRIQHDVISAEBT-GFCCVEGCSA-N 2 0 284.404 -0.626 20 0 CBADRP CC(C)[C@@H]1COCCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160669920 815655220 /nfs/dbraw/zinc/65/52/20/815655220.db2.gz OJBHBFDRZSEFIO-NEPJUHHUSA-N 2 0 267.373 -0.321 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(C)CCC1OCCO1 ZINC001160681893 815655629 /nfs/dbraw/zinc/65/56/29/815655629.db2.gz AJLAXRWXRLYNCD-NSHDSACASA-N 2 0 273.377 -0.075 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001160669498 815655729 /nfs/dbraw/zinc/65/57/29/815655729.db2.gz GOSCWINLFTXNOX-ZDUSSCGKSA-N 3 0 298.431 -0.234 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@H](c2ncc[nH]2)C1 ZINC001160688732 815657101 /nfs/dbraw/zinc/65/71/01/815657101.db2.gz GBDHVFBNAYITOV-RYUDHWBXSA-N 2 0 289.383 -0.075 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001160695650 815658610 /nfs/dbraw/zinc/65/86/10/815658610.db2.gz NYPKHXPUUVMDOR-MBNYWOFBSA-N 2 0 266.389 -0.604 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001160695052 815658737 /nfs/dbraw/zinc/65/87/37/815658737.db2.gz HDZKTCZKHGZERQ-YPMHNXCESA-N 2 0 279.388 -0.252 20 0 CBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001160695994 815659002 /nfs/dbraw/zinc/65/90/02/815659002.db2.gz SCHIJXWDOOOOAO-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001160705125 815661698 /nfs/dbraw/zinc/66/16/98/815661698.db2.gz RJJUIOOCZKACPW-FMSGJZPZSA-N 2 0 296.415 -0.504 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001160705337 815661776 /nfs/dbraw/zinc/66/17/76/815661776.db2.gz VOKYFQRMIFTIAO-XQQFMLRXSA-N 3 0 268.405 -0.277 20 0 CBADRP COC(=O)[C@H](C)N(C)C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001160718683 815663046 /nfs/dbraw/zinc/66/30/46/815663046.db2.gz QNCYXBMRKWDWQX-WCBMZHEXSA-N 2 0 257.334 -0.667 20 0 CBADRP O=C(N1CC[NH+]2CCC1CC2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160726455 815665406 /nfs/dbraw/zinc/66/54/06/815665406.db2.gz NPJRWRSVFSBEHB-IUODEOHRSA-N 3 0 278.400 -0.508 20 0 CBADRP CCN(CC(C)(C)O)C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001160755660 815666722 /nfs/dbraw/zinc/66/67/22/815666722.db2.gz NKSSJUPZGDCTLZ-NSHDSACASA-N 2 0 257.378 -0.067 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCc2nccn2CC1 ZINC001160760516 815668270 /nfs/dbraw/zinc/66/82/70/815668270.db2.gz OCVUKDQGSBWIQI-NSHDSACASA-N 2 0 275.356 -0.923 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCc2nccn2CC1 ZINC001160761025 815668839 /nfs/dbraw/zinc/66/88/39/815668839.db2.gz UEZPSKBZSTTYAQ-SNVBAGLBSA-N 2 0 251.334 -0.666 20 0 CBADRP [NH3+]CCNCC(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160779623 815671785 /nfs/dbraw/zinc/67/17/85/815671785.db2.gz HYSHMXRILMDRNE-ZBFHGGJFSA-N 2 0 288.395 -0.466 20 0 CBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H](C)C[NH3+])C[C@H]1C2 ZINC001160793559 815672854 /nfs/dbraw/zinc/67/28/54/815672854.db2.gz BFXDQYCWUDMHMH-NQUGEPOWSA-N 2 0 295.383 -0.562 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001160791808 815673227 /nfs/dbraw/zinc/67/32/27/815673227.db2.gz DAPWZZQTGRJOEH-NQUGEPOWSA-N 2 0 295.383 -0.549 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC001160840015 815675927 /nfs/dbraw/zinc/67/59/27/815675927.db2.gz TZQIMVKLYBJXSP-NEPJUHHUSA-N 2 0 271.361 -0.846 20 0 CBADRP NC(=O)C[NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001160834723 815675958 /nfs/dbraw/zinc/67/59/58/815675958.db2.gz PELJWGMAVAKWRV-UHFFFAOYSA-N 2 0 282.388 -0.556 20 0 CBADRP O=C(NCCC[NH2+]CCO)C12CCC[NH+](CCC1)C2 ZINC001160835177 815676044 /nfs/dbraw/zinc/67/60/44/815676044.db2.gz WRJYISWYIMTWMT-UHFFFAOYSA-N 2 0 269.389 -0.049 20 0 CBADRP CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@@H]21 ZINC001160880502 815684056 /nfs/dbraw/zinc/68/40/56/815684056.db2.gz ZQIVLBFLLPUQQG-YTWAJWBKSA-N 2 0 269.345 -0.680 20 0 CBADRP CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@H](CCCC[NH3+])[NH2+]C)C[C@@H]21 ZINC001160880403 815684336 /nfs/dbraw/zinc/68/43/36/815684336.db2.gz YMDFQSKCFKRUQO-QNWHQSFQSA-N 2 0 297.399 -0.029 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001160883239 815684368 /nfs/dbraw/zinc/68/43/68/815684368.db2.gz ILLWELKRHKPNGV-LLVKDONJSA-N 2 0 272.393 -0.441 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001160883480 815684932 /nfs/dbraw/zinc/68/49/32/815684932.db2.gz OCLOIDPCAWORRW-GFCCVEGCSA-N 2 0 282.392 -0.249 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC)[NH+](C)C ZINC001160890099 815685422 /nfs/dbraw/zinc/68/54/22/815685422.db2.gz UXQZNLCQZOXEGX-WDEREUQCSA-N 2 0 272.393 -0.443 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)[C@@H](CC)[NH+](C)C)C(N)=O ZINC001160890163 815685494 /nfs/dbraw/zinc/68/54/94/815685494.db2.gz XIIZBARFQYSZAW-GHMZBOCLSA-N 2 0 272.393 -0.314 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+][C@H](C)C(N)=O)[NH+](C)C ZINC001160883845 815685842 /nfs/dbraw/zinc/68/58/42/815685842.db2.gz WKDPVPSMOBWFNZ-NXEZZACHSA-N 2 0 258.366 -0.704 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+][C@H](C)c1nnnn1C)[NH+](C)C ZINC001160883781 815685690 /nfs/dbraw/zinc/68/56/90/815685690.db2.gz VATASYOLHFRGIS-GHMZBOCLSA-N 2 0 297.407 -0.293 20 0 CBADRP O=C([C@@H]1CC[NH2+]C[C@H]1F)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915515 815687521 /nfs/dbraw/zinc/68/75/21/815687521.db2.gz BTOHDPWUXCZOPS-GHMZBOCLSA-N 2 0 279.319 -0.271 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915918 815688421 /nfs/dbraw/zinc/68/84/21/815688421.db2.gz RMJXVQPIALDVQM-LBPRGKRZSA-N 3 0 292.387 -0.502 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160966856 815690874 /nfs/dbraw/zinc/69/08/74/815690874.db2.gz DOMPUEBFBDSJJG-SFYZADRCSA-N 2 0 265.260 -0.928 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001160962169 815691539 /nfs/dbraw/zinc/69/15/39/815691539.db2.gz AAGNVWKCTWMLTM-YRGRVCCFSA-N 3 0 278.400 -0.795 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160966814 815691557 /nfs/dbraw/zinc/69/15/57/815691557.db2.gz CHJKDXLWRNRDOG-UWVGGRQHSA-N 3 0 278.347 -0.102 20 0 CBADRP C[NH+]1CCC2(CCN(C(=O)CNCC[NH3+])CC2)CC1 ZINC001160993526 815693416 /nfs/dbraw/zinc/69/34/16/815693416.db2.gz VKGWALARVSNVAB-UHFFFAOYSA-N 2 0 268.405 -0.131 20 0 CBADRP O=C([C@@H]1C[C@@H](F)CC[NH2+]1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001377 815694365 /nfs/dbraw/zinc/69/43/65/815694365.db2.gz YIYUEFQVKPDVRD-SRVKXCTJSA-N 2 0 285.363 -0.208 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161008383 815694413 /nfs/dbraw/zinc/69/44/13/815694413.db2.gz NVFOFPXXVLBAHO-NWDGAFQWSA-N 2 0 281.400 -0.053 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCC(O)CC2)CC[NH2+]1 ZINC001161017315 815696111 /nfs/dbraw/zinc/69/61/11/815696111.db2.gz KYTCKZCOAKFADK-YYJSSNLHSA-N 2 0 255.362 -0.315 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)CC[NH2+]1 ZINC001161016420 815696126 /nfs/dbraw/zinc/69/61/26/815696126.db2.gz ZLYXLXSKMBRVGO-CHWSQXEVSA-N 2 0 296.415 -0.741 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CC[C@]3(C2)C[NH2+]CCO3)CC[NH2+]1 ZINC001161016377 815696204 /nfs/dbraw/zinc/69/62/04/815696204.db2.gz YUOFEVZNIHBMTB-DYEKYZERSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C1COc2ccnc(NCCN3CCNCC3=O)c2N1 ZINC001161018733 815696293 /nfs/dbraw/zinc/69/62/93/815696293.db2.gz BIOHCCTZXZJPNI-UHFFFAOYSA-N 2 0 291.311 -0.744 20 0 CBADRP NC(=S)C1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001161031082 815700365 /nfs/dbraw/zinc/70/03/65/815700365.db2.gz RVPFONIACTYBIO-SECBINFHSA-N 2 0 258.391 -0.423 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161040480 815702189 /nfs/dbraw/zinc/70/21/89/815702189.db2.gz AMWMVFCGWMZLOR-OLZOCXBDSA-N 2 0 287.404 -0.426 20 0 CBADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001161049930 815703823 /nfs/dbraw/zinc/70/38/23/815703823.db2.gz JUYDOTRVYHJAOW-NEPJUHHUSA-N 3 0 288.461 -0.053 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001161043001 815704292 /nfs/dbraw/zinc/70/42/92/815704292.db2.gz WCRLKHLCYNRKHT-JTQLQIEISA-N 2 0 256.350 -0.948 20 0 CBADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001161050387 815704841 /nfs/dbraw/zinc/70/48/41/815704841.db2.gz MPPAZXNWTHQBDG-OLZOCXBDSA-N 2 0 296.415 -0.742 20 0 CBADRP CN(C(=O)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161057837 815704895 /nfs/dbraw/zinc/70/48/95/815704895.db2.gz HQUHWJPCRQMXRO-NZEXEKPDSA-N 2 0 267.373 -0.051 20 0 CBADRP CN(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161058545 815704935 /nfs/dbraw/zinc/70/49/35/815704935.db2.gz XSBSOUMQKUDRGX-QJPTWQEYSA-N 3 0 266.389 -0.476 20 0 CBADRP CN(C(=O)[C@H]1C[NH2+]CCN1C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161061602 815705361 /nfs/dbraw/zinc/70/53/61/815705361.db2.gz HOROOOSGTGLOBO-IJLUTSLNSA-N 2 0 254.378 -0.382 20 0 CBADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)C1 ZINC001161051127 815705438 /nfs/dbraw/zinc/70/54/38/815705438.db2.gz SQPUROZGSOWXGK-WOPDTQHZSA-N 2 0 254.378 -0.383 20 0 CBADRP CN(C(=O)[C@]1(N)CCC[NH2+]C1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161062874 815705466 /nfs/dbraw/zinc/70/54/66/815705466.db2.gz KXRLGIYKVZEDOV-LOWVWBTDSA-N 2 0 254.378 -0.204 20 0 CBADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001161050498 815705662 /nfs/dbraw/zinc/70/56/62/815705662.db2.gz NRWPQQMWJMAABX-VXGBXAGGSA-N 2 0 299.419 -0.297 20 0 CBADRP CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161057793 815705807 /nfs/dbraw/zinc/70/58/07/815705807.db2.gz GLCNTAOZLPGNFR-FMSGJZPZSA-N 2 0 267.373 -0.049 20 0 CBADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2N)C1 ZINC001161051397 815706083 /nfs/dbraw/zinc/70/60/83/815706083.db2.gz VAMGEVYTPADCQF-SRVKXCTJSA-N 2 0 254.378 -0.526 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])[C@@H]1CCCC[C@H]1[NH3+] ZINC001161062508 815705939 /nfs/dbraw/zinc/70/59/39/815705939.db2.gz KPOUEDIPFZIMDJ-OUAUKWLOSA-N 3 0 274.434 -0.266 20 0 CBADRP CN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC001161052923 815706300 /nfs/dbraw/zinc/70/63/00/815706300.db2.gz PFTIFLQRUNCOKZ-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CN(C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C1(C)CC[NH2+]CC1 ZINC001161066855 815707526 /nfs/dbraw/zinc/70/75/26/815707526.db2.gz CIWLXYQWBVEPCV-IUODEOHRSA-N 3 0 280.416 -0.214 20 0 CBADRP CN(C(=O)CNC1CC[NH2+]CC1)C1(C)CC[NH2+]CC1 ZINC001161068946 815707576 /nfs/dbraw/zinc/70/75/76/815707576.db2.gz YPIWSVUZBWJHJD-UHFFFAOYSA-N 2 0 268.405 -0.072 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001161081050 815709089 /nfs/dbraw/zinc/70/90/89/815709089.db2.gz CUQSZKGXOZNWEL-NSHDSACASA-N 2 0 297.403 -0.623 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)C[C@@H]21 ZINC001161081637 815709316 /nfs/dbraw/zinc/70/93/16/815709316.db2.gz LDKYGKXGRXBHBC-RDBSUJKOSA-N 3 0 280.416 -0.134 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@]34CC[C@@H](N3)[C@H]([NH3+])C4)C[C@@H]21 ZINC001161081016 815709358 /nfs/dbraw/zinc/70/93/58/815709358.db2.gz CEFSPSSNKWBEOE-NTASLKFISA-N 2 0 278.400 -0.239 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C[C@@H]21 ZINC001161081680 815709944 /nfs/dbraw/zinc/70/99/44/815709944.db2.gz LRLNPTDFAHBQJE-AGIUHOORSA-N 3 0 278.400 -0.652 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001161084010 815711346 /nfs/dbraw/zinc/71/13/46/815711346.db2.gz VYGYDYSEVUABPP-KWCYVHTRSA-N 2 0 291.399 -0.158 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@@H]21 ZINC001161081883 815711730 /nfs/dbraw/zinc/71/17/30/815711730.db2.gz MHOPJWZWXQOMBP-QCNOEVLYSA-N 2 0 253.346 -0.738 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@@H]21 ZINC001161083191 815712034 /nfs/dbraw/zinc/71/20/34/815712034.db2.gz RCKZHNCCSYYEPG-UTUOFQBUSA-N 3 0 254.378 -0.395 20 0 CBADRP [NH3+]CCN(CCNc1ncc2c(n1)CC[NH2+]C2)N(O)N=O ZINC001161086768 815712059 /nfs/dbraw/zinc/71/20/59/815712059.db2.gz AZJBNVAHAQAASL-UHFFFAOYSA-N 2 0 296.335 -0.918 20 0 CBADRP C[C@H](C(N)=O)[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161088514 815713402 /nfs/dbraw/zinc/71/34/02/815713402.db2.gz BHDCTFUOJNJEHM-GFCCVEGCSA-N 2 0 296.415 -0.050 20 0 CBADRP CCOC(=O)[C@H]1COCCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001161093313 815714308 /nfs/dbraw/zinc/71/43/08/815714308.db2.gz LCBOKWZWGVTBHG-NEPJUHHUSA-N 2 0 299.371 -0.896 20 0 CBADRP CCN(CCC(=O)OC)C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001161129479 815716928 /nfs/dbraw/zinc/71/69/28/815716928.db2.gz CHRDIMKXFIVBAY-JTQLQIEISA-N 2 0 259.350 -0.146 20 0 CBADRP CCN(CCC(=O)OC)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161129500 815717127 /nfs/dbraw/zinc/71/71/27/815717127.db2.gz COAFCGQIYZYCRM-JTQLQIEISA-N 2 0 269.345 -0.793 20 0 CBADRP CC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161132332 815718834 /nfs/dbraw/zinc/71/88/34/815718834.db2.gz YELDNTSVEGYUER-STQMWFEESA-N 2 0 294.399 -0.735 20 0 CBADRP CCN(C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C1CN(C)C1 ZINC001161138310 815720053 /nfs/dbraw/zinc/72/00/53/815720053.db2.gz RLVBADOTEZZEDE-BXUZGUMPSA-N 2 0 266.389 -0.652 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1[NH2+][C@H]2CC[C@@H]1C2 ZINC001161157783 815723533 /nfs/dbraw/zinc/72/35/33/815723533.db2.gz JNTYZUPPWSWCOB-MDZLAQPJSA-N 2 0 283.372 -0.133 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)CNCC[NH3+])C[C@H]2C1 ZINC001161174626 815724609 /nfs/dbraw/zinc/72/46/09/815724609.db2.gz AZGNTFGFONYXCU-VXGBXAGGSA-N 2 0 254.378 -0.665 20 0 CBADRP CC(C)(O)CCN1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001161174748 815724896 /nfs/dbraw/zinc/72/48/96/815724896.db2.gz DTPMRLDLWZMINV-LBPRGKRZSA-N 2 0 286.420 -0.642 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)C[C@H]2C1 ZINC001161175236 815725229 /nfs/dbraw/zinc/72/52/29/815725229.db2.gz JFRSNMVFWDEYLS-RNJOBUHISA-N 2 0 266.389 -0.667 20 0 CBADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161207642 815727575 /nfs/dbraw/zinc/72/75/75/815727575.db2.gz BNWQHQDIIADGDW-KGLIPLIRSA-N 2 0 281.400 -0.195 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161210250 815727884 /nfs/dbraw/zinc/72/78/84/815727884.db2.gz OTTWHKWOBQTJEL-UHFFFAOYSA-N 2 0 268.405 -0.227 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])C1CCC(O)CC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219627 815728916 /nfs/dbraw/zinc/72/89/16/815728916.db2.gz RYLHOJKINBVRLL-UTIMWUQESA-N 2 0 267.373 -0.459 20 0 CBADRP C[C@H]1CN(C(=O)[C@@H]2C[NH2+]Cc3ccnn3C2)C[C@H](C)[NH2+]1 ZINC001161229745 815729600 /nfs/dbraw/zinc/72/96/00/815729600.db2.gz SXWZHSYOVRKOFS-SDDRHHMPSA-N 2 0 277.372 -0.189 20 0 CBADRP C[C@H]1CN(C(=O)[C@H]2C[NH2+]Cc3ccnn3C2)C[C@H](C)[NH2+]1 ZINC001161229746 815729892 /nfs/dbraw/zinc/72/98/92/815729892.db2.gz SXWZHSYOVRKOFS-SRVKXCTJSA-N 2 0 277.372 -0.189 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)[C@@H](C)CO1 ZINC001161234613 815730110 /nfs/dbraw/zinc/73/01/10/815730110.db2.gz FCURTKNKJLBJGZ-UMNHJUIQSA-N 2 0 255.362 -0.051 20 0 CBADRP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001161231653 815730300 /nfs/dbraw/zinc/73/03/00/815730300.db2.gz NGVNSPLZXCLLBR-QSFUFRPTSA-N 2 0 269.345 -0.654 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])COC(C)(C)C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161221963 815730792 /nfs/dbraw/zinc/73/07/92/815730792.db2.gz RQIXRTUEDLQJTQ-ZRUFSTJUSA-N 2 0 255.362 -0.195 20 0 CBADRP C[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C[C@H](C)[NH2+]1 ZINC001161229306 815730906 /nfs/dbraw/zinc/73/09/06/815730906.db2.gz ISGTWJMIAYPCMS-UHFZAUJKSA-N 2 0 252.362 -0.855 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161238859 815732353 /nfs/dbraw/zinc/73/23/53/815732353.db2.gz DSAJQIXDLKNQJY-CMPLNLGQSA-N 2 0 269.324 -0.811 20 0 CBADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001161239279 815733564 /nfs/dbraw/zinc/73/35/64/815733564.db2.gz IUBKXGCBNYYNMI-DGCLKSJQSA-N 3 0 284.379 -0.240 20 0 CBADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161246051 815733961 /nfs/dbraw/zinc/73/39/61/815733961.db2.gz IDHLMZKVAUTDEM-ZYHUDNBSSA-N 3 0 258.341 -0.787 20 0 CBADRP [NH3+]C[C@@]1(F)CCN(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1 ZINC001161239891 815734562 /nfs/dbraw/zinc/73/45/62/815734562.db2.gz SZAHVDWPRQHGFY-LSKIRQOJSA-N 2 0 256.325 -0.893 20 0 CBADRP [NH3+]CCNCC(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161273904 815736846 /nfs/dbraw/zinc/73/68/46/815736846.db2.gz JYKMKXOWABWCHC-AWEZNQCLSA-N 2 0 291.399 -0.290 20 0 CBADRP Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H](N)C[NH3+])CC1 ZINC001161306267 815738280 /nfs/dbraw/zinc/73/82/80/815738280.db2.gz IYRDROWXTGYDQW-NSHDSACASA-N 2 0 263.345 -0.675 20 0 CBADRP CCN(C(=O)C1=NO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1CCC[NH2+]C1 ZINC001161332789 815742840 /nfs/dbraw/zinc/74/28/40/815742840.db2.gz PALLQGOUBFHFBZ-OUAUKWLOSA-N 2 0 266.345 -0.439 20 0 CBADRP CCN(C(=O)[C@@H]1C[NH2+]C[C@H](O)C1)[C@H]1CCC[NH2+]C1 ZINC001161333880 815743138 /nfs/dbraw/zinc/74/31/38/815743138.db2.gz XXEMUDWFSRNYHM-SDDRHHMPSA-N 2 0 255.362 -0.443 20 0 CBADRP CCN(C(=O)C[N@@H+]1CC[C@H](O)C1)[C@H]1CCC[NH2+]C1 ZINC001161338336 815744483 /nfs/dbraw/zinc/74/44/83/815744483.db2.gz DWSPZGCUUZTECL-RYUDHWBXSA-N 2 0 255.362 -0.347 20 0 CBADRP CCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001161340141 815745496 /nfs/dbraw/zinc/74/54/96/815745496.db2.gz PECYIOIMCFFAAH-STQMWFEESA-N 3 0 268.405 -0.086 20 0 CBADRP CCN(C(=O)[C@@H]1C[NH2+]CCN1C)[C@@H]1CCC[NH2+]C1 ZINC001161340251 815746059 /nfs/dbraw/zinc/74/60/59/815746059.db2.gz QEBNFDYWDHTDAD-NEPJUHHUSA-N 2 0 254.378 -0.510 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161376796 815748127 /nfs/dbraw/zinc/74/81/27/815748127.db2.gz DJFTVRGQKFUCTF-KGLIPLIRSA-N 3 0 297.447 -0.533 20 0 CBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161380151 815748369 /nfs/dbraw/zinc/74/83/69/815748369.db2.gz JLDHRQRKKSTZLV-MQYQWHSLSA-N 2 0 279.384 -0.225 20 0 CBADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@H]3CC[NH2+]C[C@H]3F)C2)CC1 ZINC001161376787 815748435 /nfs/dbraw/zinc/74/84/35/815748435.db2.gz DFFHKRJFESULHD-HZSPNIEDSA-N 2 0 298.406 -0.042 20 0 CBADRP COc1ccnc(N(C(=O)[C@@H](N)C[NH3+])C2CC[NH2+]CC2)c1 ZINC001161385486 815748546 /nfs/dbraw/zinc/74/85/46/815748546.db2.gz BBQJHUSPNFGDRE-LBPRGKRZSA-N 2 0 293.371 -0.539 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161387142 815748646 /nfs/dbraw/zinc/74/86/46/815748646.db2.gz ALSNMJXHPICDST-KGLIPLIRSA-N 3 0 298.431 -0.234 20 0 CBADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161389197 815750448 /nfs/dbraw/zinc/75/04/48/815750448.db2.gz PCYUEQNOXTYEFQ-AGIUHOORSA-N 2 0 283.372 -0.968 20 0 CBADRP C[NH2+]CCC(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161387858 815750476 /nfs/dbraw/zinc/75/04/76/815750476.db2.gz FPBYWOHORGJVEW-LBPRGKRZSA-N 2 0 255.362 -0.081 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161413074 815751089 /nfs/dbraw/zinc/75/10/89/815751089.db2.gz NZIFHEFMJHNTBZ-LOWDOPEQSA-N 3 0 268.405 -0.101 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161412046 815751409 /nfs/dbraw/zinc/75/14/09/815751409.db2.gz FKLXWOSKLZKZHL-PDEGPIFNSA-N 2 0 263.345 -0.525 20 0 CBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)C[C@@H]12 ZINC001161413251 815751622 /nfs/dbraw/zinc/75/16/22/815751622.db2.gz ODAXUXCSXHHVAB-RQVGPUOWSA-N 2 0 264.373 -0.868 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412006 815751763 /nfs/dbraw/zinc/75/17/63/815751763.db2.gz FBQRQOSPDRNFOS-HBNTYKKESA-N 2 0 267.377 -0.165 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161412011 815751875 /nfs/dbraw/zinc/75/18/75/815751875.db2.gz FCMVHQFADSIXLG-BQUFFADESA-N 2 0 277.372 -0.514 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161412012 815752024 /nfs/dbraw/zinc/75/20/24/815752024.db2.gz FCMVHQFADSIXLG-RYDUCSDGSA-N 2 0 277.372 -0.514 20 0 CBADRP [NH3+][C@@H]1C[C@]2(C(=O)N3C[C@H]4CC[C@@H]([NH3+])[C@@H]4C3)CC[C@H]1N2 ZINC001161412433 815752134 /nfs/dbraw/zinc/75/21/34/815752134.db2.gz KGSFZIPCGGQUNC-MDVDOTDZSA-N 2 0 264.373 -0.596 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161414704 815752636 /nfs/dbraw/zinc/75/26/36/815752636.db2.gz YQTNYGFXWPQFRA-ZDCRXTMVSA-N 2 0 255.318 -0.928 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[NH2+]C1 ZINC001161418535 815753922 /nfs/dbraw/zinc/75/39/22/815753922.db2.gz DVZGYWVTZLMEKW-UWVGGRQHSA-N 2 0 256.350 -0.746 20 0 CBADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)N1CC[NH2+]C1 ZINC001161416811 815754357 /nfs/dbraw/zinc/75/43/57/815754357.db2.gz KTLYSMBQBKKGKF-LBPRGKRZSA-N 2 0 277.324 -0.164 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@H]1NCCS1)[C@H]1CCC[NH2+]C1 ZINC001161444217 815755636 /nfs/dbraw/zinc/75/56/36/815755636.db2.gz FNXUPDWUSMPDQA-NWDGAFQWSA-N 2 0 286.445 -0.209 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@H]1COC(C)(C)[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161447213 815755723 /nfs/dbraw/zinc/75/57/23/815755723.db2.gz WGYJWHJARCKPHG-STQMWFEESA-N 3 0 298.431 -0.147 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161449902 815755832 /nfs/dbraw/zinc/75/58/32/815755832.db2.gz VCNRSHKMEDCPPA-UONOGXRCSA-N 3 0 297.447 -0.968 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@H]1COCCN1)[C@H]1CCC[NH2+]C1 ZINC001161444880 815756088 /nfs/dbraw/zinc/75/60/88/815756088.db2.gz LQVANEWELMJOAS-STQMWFEESA-N 2 0 284.404 -0.883 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH3+])CC2 ZINC001161478203 815758257 /nfs/dbraw/zinc/75/82/57/815758257.db2.gz LJBSZEKKRMDKTH-LNLATYFQSA-N 2 0 255.318 -0.913 20 0 CBADRP CN1C(=O)CC[C@@H]2CN(C(=O)[C@H]([NH3+])CCC[NH3+])CC[C@@H]21 ZINC001161484278 815759582 /nfs/dbraw/zinc/75/95/82/815759582.db2.gz VCVSPUQPMCOONC-UTUOFQBUSA-N 2 0 282.388 -0.478 20 0 CBADRP CN1C(=O)CC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC[C@H]21 ZINC001161484276 815759630 /nfs/dbraw/zinc/75/96/30/815759630.db2.gz VCVSPUQPMCOONC-GRYCIOLGSA-N 2 0 282.388 -0.478 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CCC[C@@](C)(C[NH3+])C1 ZINC001161488451 815760337 /nfs/dbraw/zinc/76/03/37/815760337.db2.gz CJVJGYVYLKZECB-JQWIXIFHSA-N 2 0 257.334 -0.536 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2F)C[C@@H]1[NH3+] ZINC001161491373 815761125 /nfs/dbraw/zinc/76/11/25/815761125.db2.gz DLWQZJYNTOMQQH-FRRDWIJNSA-N 2 0 281.331 -0.120 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)CCN2)C[C@@H]1[NH3+] ZINC001161493073 815761456 /nfs/dbraw/zinc/76/14/56/815761456.db2.gz BJAXLNSKGQKBBG-SDDRHHMPSA-N 2 0 284.404 -0.757 20 0 CBADRP CC[C@H](C)[C@@H]([NH2+]C)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161508681 815764976 /nfs/dbraw/zinc/76/49/76/815764976.db2.gz GDSTWMMMQJQQKO-GARJFASQSA-N 2 0 255.362 -0.193 20 0 CBADRP [NH3+]Cc1cccc(C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)c1 ZINC001161508061 815765055 /nfs/dbraw/zinc/76/50/55/815765055.db2.gz VTURVRSKZQJGSI-GFCCVEGCSA-N 2 0 261.325 -0.055 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC12COC2 ZINC001161510823 815765111 /nfs/dbraw/zinc/76/51/11/815765111.db2.gz SATQQKRCRWGSQE-ZIAGYGMSSA-N 2 0 287.363 -0.113 20 0 CBADRP C[NH+]1CC2(CN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)C2)C1 ZINC001161532115 815767519 /nfs/dbraw/zinc/76/75/19/815767519.db2.gz NKQBGSQPWKFASB-NSHDSACASA-N 3 0 252.362 -0.913 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC2(C1)C[NH+](C)C2 ZINC001161532174 815768487 /nfs/dbraw/zinc/76/84/87/815768487.db2.gz OJCJECUOOBPPTL-LBPRGKRZSA-N 2 0 282.388 -0.606 20 0 CBADRP C[NH2+][C@H]1CCCN(CC(=O)N2CC[NH2+]C3(CC3)C2)C1 ZINC001161550124 815769303 /nfs/dbraw/zinc/76/93/03/815769303.db2.gz FCGVLQLQUDLQTE-LBPRGKRZSA-N 2 0 266.389 -0.365 20 0 CBADRP O=C(c1noc2c1C[NH2+]CC2)N1CC[NH2+]C2(CC2)C1 ZINC001161556914 815771388 /nfs/dbraw/zinc/77/13/88/815771388.db2.gz ZCQYCHGPLXAHGD-UHFFFAOYSA-N 2 0 262.313 -0.102 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550789 815771428 /nfs/dbraw/zinc/77/14/28/815771428.db2.gz QEAWZZSOZPTAIY-XYZCENFISA-N 2 0 259.375 -0.953 20 0 CBADRP Cc1c(C(=O)NCCC[NH2+]CC(N)=O)ccc2c[nH+]cn21 ZINC001161564117 815771788 /nfs/dbraw/zinc/77/17/88/815771788.db2.gz UIILFAOKHLDHOJ-UHFFFAOYSA-N 2 0 289.339 -0.162 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[NH2+]C2(CC2)C1)C1CC[NH2+]CC1 ZINC001161551036 815771947 /nfs/dbraw/zinc/77/19/47/815771947.db2.gz ZAGSOLSJQXLKNX-NSHDSACASA-N 3 0 252.362 -0.722 20 0 CBADRP COCCOC1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001161572779 815773448 /nfs/dbraw/zinc/77/34/48/815773448.db2.gz YFKAUIJAXWNQNG-CYBMUJFWSA-N 2 0 297.399 -0.266 20 0 CBADRP C[NH+](C)CCOCC(=O)NCCC1=CC[N@H+](CCO)CC1 ZINC001161699287 815779637 /nfs/dbraw/zinc/77/96/37/815779637.db2.gz RBMZDJIIDZBTGL-UHFFFAOYSA-N 2 0 299.415 -0.305 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001161789169 815786946 /nfs/dbraw/zinc/78/69/46/815786946.db2.gz HVCVVOWYMCXUFD-LLVKDONJSA-N 2 0 282.388 -0.416 20 0 CBADRP COC(=O)c1ccc(C[NH3+])n1-c1cc(C[NH3+])ncn1 ZINC001161934837 815795748 /nfs/dbraw/zinc/79/57/48/815795748.db2.gz ZWURFYJZSLUFFY-UHFFFAOYSA-N 2 0 261.285 -0.029 20 0 CBADRP C[NH+](C)Cc1ccc(N(CC[NH3+])S(C)(=O)=O)nc1 ZINC001162124001 815804019 /nfs/dbraw/zinc/80/40/19/815804019.db2.gz LCKJWZGBZJFYQJ-UHFFFAOYSA-N 2 0 272.374 -0.132 20 0 CBADRP C[C@@H]1CN(c2ccc(-n3cnc(C[NH3+])c3)nn2)CC[NH2+]1 ZINC001162296325 815812186 /nfs/dbraw/zinc/81/21/86/815812186.db2.gz FEZNFHAJGQWIJU-SNVBAGLBSA-N 2 0 273.344 -0.081 20 0 CBADRP [NH3+][C@H]1COC[C@H]1Nc1ncccc1N1CC[NH2+]CC1 ZINC001162917880 815848953 /nfs/dbraw/zinc/84/89/53/815848953.db2.gz XAKAHWXAXLQLJV-WDEREUQCSA-N 2 0 263.345 -0.371 20 0 CBADRP COC(OC)c1c(C[NH3+])ccnc1N[C@@H]1COC[C@@H]1[NH3+] ZINC001162917861 815849091 /nfs/dbraw/zinc/84/90/91/815849091.db2.gz WGBVFJNVSAXZKZ-VHSXEESVSA-N 2 0 282.344 -0.030 20 0 CBADRP C[NH2+]Cc1cc(N[C@H](C(=O)OC)C(C)(C)[NH3+])ncn1 ZINC001162941766 815849419 /nfs/dbraw/zinc/84/94/19/815849419.db2.gz ABKUAKJPJLUJRL-SNVBAGLBSA-N 2 0 267.333 -0.113 20 0 CBADRP O=C(NCCC[NH2+]CCO)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163243428 815871277 /nfs/dbraw/zinc/87/12/77/815871277.db2.gz YWVIXNORYGXBTA-CYBMUJFWSA-N 2 0 269.389 -0.051 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cnc3c(c2)C[NH2+]CC3)N1 ZINC001163246712 815872874 /nfs/dbraw/zinc/87/28/74/815872874.db2.gz BCEDXUDPNMGDPH-GXTWGEPZSA-N 2 0 273.340 -0.283 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc(OC3C[NH2+]C3)cn2)N1 ZINC001163254084 815875330 /nfs/dbraw/zinc/87/53/30/815875330.db2.gz OXQLTYBAAVUSMN-FZMZJTMJSA-N 2 0 289.339 -0.578 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccc(OC3C[NH2+]C3)cn2)N1 ZINC001163254085 815875875 /nfs/dbraw/zinc/87/58/75/815875875.db2.gz OXQLTYBAAVUSMN-RISCZKNCSA-N 2 0 289.339 -0.578 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001292766312 816484054 /nfs/dbraw/zinc/48/40/54/816484054.db2.gz FYKPNXROTLPYEP-LBPRGKRZSA-N 2 0 294.399 -0.734 20 0 CBADRP C[NH+]1CCC(C(=O)NCCNC(=O)C[NH+]2CCCC2)CC1 ZINC001292767056 816484317 /nfs/dbraw/zinc/48/43/17/816484317.db2.gz YCDZAXZQVPHXLX-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP CC[NH+](CC)CC(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001293334802 816515888 /nfs/dbraw/zinc/51/58/88/816515888.db2.gz YKTABUFOWVIQHM-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[NH+](CC)CC(=O)NCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001293334803 816516085 /nfs/dbraw/zinc/51/60/85/816516085.db2.gz YKTABUFOWVIQHM-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP C[N@H+](CCCC[NH2+]Cc1cn(CC(N)=O)nn1)C1CC1 ZINC001308428000 816824922 /nfs/dbraw/zinc/82/49/22/816824922.db2.gz QXHKCHFCQZRTOA-UHFFFAOYSA-N 2 0 280.376 -0.273 20 0 CBADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)Cn2ccnn2)CC1 ZINC001308810186 816826851 /nfs/dbraw/zinc/82/68/51/816826851.db2.gz NXHKHZINZLZKQM-CYBMUJFWSA-N 2 0 267.377 -0.040 20 0 CBADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC001308773176 816827286 /nfs/dbraw/zinc/82/72/86/816827286.db2.gz BXAKVXQRFNZZBM-TXEJJXNPSA-N 2 0 265.357 -0.077 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[N@H+](C)[C@@H]1CCCNC1=O ZINC001316846308 816891128 /nfs/dbraw/zinc/89/11/28/816891128.db2.gz YFTDRDARFARUJS-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP COCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001317105851 816932694 /nfs/dbraw/zinc/93/26/94/816932694.db2.gz WKVBAICFYFMSSM-TUAOUCFPSA-N 2 0 255.362 -0.036 20 0 CBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCCO)C1)C12CC[NH+](CC1)C2 ZINC001317124170 816934516 /nfs/dbraw/zinc/93/45/16/816934516.db2.gz BLJKWSDWIHMDJU-TXEJJXNPSA-N 2 0 267.373 -0.299 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCO)C1)[NH+](C)C ZINC001317124387 816935682 /nfs/dbraw/zinc/93/56/82/816935682.db2.gz KPYCLZFOPBBNGN-TUAOUCFPSA-N 2 0 257.378 -0.054 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCO)C1 ZINC001317200145 816940503 /nfs/dbraw/zinc/94/05/03/816940503.db2.gz OVAVFJIWLXWVGQ-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CCCO ZINC001317267494 816954979 /nfs/dbraw/zinc/95/49/79/816954979.db2.gz INCLUWGOUOEEBZ-NSHDSACASA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001317304981 816963123 /nfs/dbraw/zinc/96/31/23/816963123.db2.gz VLEQTPXXNQVKNQ-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)CCO)C1 ZINC001317377541 816969260 /nfs/dbraw/zinc/96/92/60/816969260.db2.gz DDZKRXCVZQLEFF-GFCCVEGCSA-N 2 0 257.378 -0.147 20 0 CBADRP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCO ZINC001317407954 816973830 /nfs/dbraw/zinc/97/38/30/816973830.db2.gz ZUTXBIZZPSODCL-NEPJUHHUSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H](O)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001317450796 816984002 /nfs/dbraw/zinc/98/40/02/816984002.db2.gz IMDXKGUETYEZTB-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP COC[C@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317588154 817024435 /nfs/dbraw/zinc/02/44/35/817024435.db2.gz CPIVVQILPFPACR-JHJVBQTASA-N 2 0 287.404 -0.618 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC2C[NH+](CCO)C2)C1 ZINC001318154355 817082796 /nfs/dbraw/zinc/08/27/96/817082796.db2.gz GUWQZKSVPZIRQJ-NSHDSACASA-N 2 0 255.362 -0.632 20 0 CBADRP CN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CC[N@H+](CCO)C1 ZINC001318424051 817108356 /nfs/dbraw/zinc/10/83/56/817108356.db2.gz IANXIHQWKNXAKA-LBPRGKRZSA-N 2 0 269.389 -0.147 20 0 CBADRP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCO ZINC001318595935 817126134 /nfs/dbraw/zinc/12/61/34/817126134.db2.gz RLMUIHSWARWAIM-VXGBXAGGSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCO ZINC001318595933 817126230 /nfs/dbraw/zinc/12/62/30/817126230.db2.gz RLMUIHSWARWAIM-NWDGAFQWSA-N 2 0 257.378 -0.195 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001318857225 817144538 /nfs/dbraw/zinc/14/45/38/817144538.db2.gz CKXILXUDOFXPIE-CYBMUJFWSA-N 2 0 268.405 -0.310 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@H](C)C(N)=O ZINC001319237730 817179540 /nfs/dbraw/zinc/17/95/40/817179540.db2.gz HBHBHWZYADWODF-VHSXEESVSA-N 2 0 258.366 -0.846 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H](C)C(N)=O ZINC001319237731 817179773 /nfs/dbraw/zinc/17/97/73/817179773.db2.gz HBHBHWZYADWODF-ZJUUUORDSA-N 2 0 258.366 -0.846 20 0 CBADRP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)C[NH2+]CCO ZINC001319260202 817182486 /nfs/dbraw/zinc/18/24/86/817182486.db2.gz XEKUPOYRRQADFH-LBPRGKRZSA-N 2 0 287.404 -0.569 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC1CCC1 ZINC001320199355 817289046 /nfs/dbraw/zinc/28/90/46/817289046.db2.gz BMYSPEXWDJQMJX-CHWSQXEVSA-N 2 0 269.389 -0.053 20 0 CBADRP CC[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001320236927 817301024 /nfs/dbraw/zinc/30/10/24/817301024.db2.gz DQNBGCAETFUNIT-GFCCVEGCSA-N 2 0 269.389 -0.051 20 0 CBADRP CC(C)OCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001320255965 817305776 /nfs/dbraw/zinc/30/57/76/817305776.db2.gz CCFFOAVNCISUNL-CHWSQXEVSA-N 2 0 287.404 -0.428 20 0 CBADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H](O)C[NH2+]CCO)cc1 ZINC001320285911 817314825 /nfs/dbraw/zinc/31/48/25/817314825.db2.gz GOSZDKJCKVHXAE-CQSZACIVSA-N 2 0 295.383 -0.579 20 0 CBADRP CC(C)[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001320294725 817317592 /nfs/dbraw/zinc/31/75/92/817317592.db2.gz DTYOZMXJMBKZSO-NSHDSACASA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@H](CC[NH2+]CCO)NC(=O)C1([NH+](C)C)CCC1 ZINC001320445576 817339237 /nfs/dbraw/zinc/33/92/37/817339237.db2.gz ICJUDXWHBLAOEE-LLVKDONJSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@H](CC[NH2+]CC(N)=O)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001320550981 817354445 /nfs/dbraw/zinc/35/44/45/817354445.db2.gz YREVUFCEYBBIRA-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP CCN(CC[NH2+]CC(N)=O)C(=O)C[NH+]1CCC(C)CC1 ZINC001320877346 817405631 /nfs/dbraw/zinc/40/56/31/817405631.db2.gz ZNBXBCZUZLTCFE-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C1CCN(C=O)CC1 ZINC001320880268 817407391 /nfs/dbraw/zinc/40/73/91/817407391.db2.gz NREUOGWKGBJBSM-ZDUSSCGKSA-N 2 0 268.405 -0.167 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320921535 817410954 /nfs/dbraw/zinc/41/09/54/817410954.db2.gz MYHXLYYLSHXWDG-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC/C=C/C[NH2+]CC(N)=O)C1 ZINC001321334723 817484596 /nfs/dbraw/zinc/48/45/96/817484596.db2.gz DDFCYXQCZKFZBJ-CDJBXZAQSA-N 2 0 296.415 -0.146 20 0 CBADRP COCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001321393694 817494375 /nfs/dbraw/zinc/49/43/75/817494375.db2.gz UJTJGDCEFMKREE-VSQXVHSFSA-N 2 0 255.362 -0.154 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@H](C)C(N)=O ZINC001321418826 817496617 /nfs/dbraw/zinc/49/66/17/817496617.db2.gz JVEWGQKLGVUQOS-FBVTZJDUSA-N 2 0 296.415 -0.003 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCN(CC(N)=O)C1 ZINC001269186729 827472326 /nfs/dbraw/zinc/47/23/26/827472326.db2.gz FKYTWWGHLYBXKP-SNVBAGLBSA-N 2 0 256.350 -0.996 20 0 CBADRP CNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001163820213 819853703 /nfs/dbraw/zinc/85/37/03/819853703.db2.gz DTIQKBICNQEWBI-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP [NH3+]CCN(CCO)c1cncc(OCC[NH+]2CCCC2)n1 ZINC001163830133 819856633 /nfs/dbraw/zinc/85/66/33/819856633.db2.gz SWRNUBHDXSNVMX-UHFFFAOYSA-N 2 0 295.387 -0.291 20 0 CBADRP C[NH+](C)C1CN(c2ncccc2C(=O)N2CC[NH2+]CC2)C1 ZINC001163940636 819872565 /nfs/dbraw/zinc/87/25/65/819872565.db2.gz PMNYWBZTSWTKEJ-UHFFFAOYSA-N 2 0 289.383 -0.123 20 0 CBADRP CN(c1ccc(C[NH+](C)C)cn1)S(=O)(=O)CC[NH3+] ZINC001164292490 819902353 /nfs/dbraw/zinc/90/23/53/819902353.db2.gz NXSCNTJUOOYJBK-UHFFFAOYSA-N 2 0 272.374 -0.132 20 0 CBADRP COCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001164535733 819923077 /nfs/dbraw/zinc/92/30/77/819923077.db2.gz CROJHIHOGVRIEZ-ZDUSSCGKSA-N 2 0 287.404 -0.162 20 0 CBADRP [NH3+]C1CCN(c2cccc(N3C[C@H](O)[C@H](CO)C3)[nH+]2)CC1 ZINC001164543825 819925317 /nfs/dbraw/zinc/92/53/17/819925317.db2.gz FQIRXEGLEKZCDI-AAEUAGOBSA-N 2 0 292.383 -0.202 20 0 CBADRP C[NH+]1CCN(c2cccc(N3CCO[C@H](C[NH3+])C3)n2)CC1 ZINC001165117905 819939926 /nfs/dbraw/zinc/93/99/26/819939926.db2.gz DRGOVVJHCZRKKD-CYBMUJFWSA-N 2 0 291.399 -0.003 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001165263473 819944085 /nfs/dbraw/zinc/94/40/85/819944085.db2.gz RCNFDOOKRXEWKV-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165262076 819944526 /nfs/dbraw/zinc/94/45/26/819944526.db2.gz FAGYILIPTTXFBZ-LBPRGKRZSA-N 2 0 287.404 -0.569 20 0 CBADRP Cn1nncc1C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165253519 819944807 /nfs/dbraw/zinc/94/48/07/819944807.db2.gz HXJDEHKJBPMJAN-UHFFFAOYSA-N 2 0 294.403 -0.247 20 0 CBADRP c1cc(N2CCOCC23C[NH2+]C3)nc2c1C[NH2+]CC2 ZINC001165287357 819949357 /nfs/dbraw/zinc/94/93/57/819949357.db2.gz CVAKCNSQZUVUKI-UHFFFAOYSA-N 2 0 260.341 -0.094 20 0 CBADRP c1nc(C2C[NH2+]C2)cc(N2CCOCC23C[NH2+]C3)n1 ZINC001165287126 819949607 /nfs/dbraw/zinc/94/96/07/819949607.db2.gz PKSJSGMTAONDKP-UHFFFAOYSA-N 2 0 261.329 -0.658 20 0 CBADRP [NH3+][C@]12C[C@H]1CN(c1ncccc1C(=O)N1CC[NH2+]CC1)C2 ZINC001165316000 819955837 /nfs/dbraw/zinc/95/58/37/819955837.db2.gz WCNOAMGAIKJAOZ-NHYWBVRUSA-N 2 0 287.367 -0.336 20 0 CBADRP [NH3+][C@]12C[C@H]1CN(c1ccc(N3CC[NH2+]CC3)nn1)C2 ZINC001165315247 819956119 /nfs/dbraw/zinc/95/61/19/819956119.db2.gz ROZVDUGAUHVGLN-GWCFXTLKSA-N 2 0 260.345 -0.576 20 0 CBADRP C[NH+](C)CCCC(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001165361072 819956990 /nfs/dbraw/zinc/95/69/90/819956990.db2.gz WYALTRJXZILULB-UHFFFAOYSA-N 2 0 299.419 -0.551 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165360795 819957243 /nfs/dbraw/zinc/95/72/43/819957243.db2.gz SKBZMCFMPQQICK-LBPRGKRZSA-N 2 0 275.393 -0.569 20 0 CBADRP C[NH+](C)CCCC(=O)NCCC[NH2+]CCOCCO ZINC001165360921 819957397 /nfs/dbraw/zinc/95/73/97/819957397.db2.gz VWVBXVXSNZALPB-UHFFFAOYSA-N 2 0 275.393 -0.567 20 0 CBADRP C[NH+]1CCN(c2ccc(N3C[C@@H]4[C@H]([NH3+])[C@@H]4C3)nn2)CC1 ZINC001165382880 819960152 /nfs/dbraw/zinc/96/01/52/819960152.db2.gz FXRVOJIQFQUIAI-GNXNZQSNSA-N 2 0 274.372 -0.378 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1c1ncnc2c1CC[NH2+]CC2 ZINC001165435913 819961870 /nfs/dbraw/zinc/96/18/70/819961870.db2.gz GDASNCYJZVYERJ-LBPRGKRZSA-N 2 0 291.355 -0.884 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCN1c1cc2c(nn1)CC[NH2+]C2 ZINC001165439904 819963471 /nfs/dbraw/zinc/96/34/71/819963471.db2.gz VFHXLHZVVLQAOU-LLVKDONJSA-N 2 0 277.328 -0.927 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1c1cc(C2C[NH2+]C2)ncn1 ZINC001165442353 819964863 /nfs/dbraw/zinc/96/48/63/819964863.db2.gz JWFAUWPTYALLSP-NSHDSACASA-N 2 0 277.328 -0.885 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1c1ncc(C)cc1C[NH3+] ZINC001165443340 819964895 /nfs/dbraw/zinc/96/48/95/819964895.db2.gz USAZYSNTZYPLFZ-NSHDSACASA-N 2 0 264.329 -0.200 20 0 CBADRP Cn1ncnc1C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165772800 819981809 /nfs/dbraw/zinc/98/18/09/819981809.db2.gz YWHQQRGTUNBKAD-UHFFFAOYSA-N 2 0 294.403 -0.247 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001165776247 819982433 /nfs/dbraw/zinc/98/24/33/819982433.db2.gz FFBZWVRVAHOFLL-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(C)C(=O)C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165772796 819982660 /nfs/dbraw/zinc/98/26/60/819982660.db2.gz YOUCHYINNKWFLH-UHFFFAOYSA-N 2 0 284.404 -0.488 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[NH2+]CCn1cncn1 ZINC001165781656 819983065 /nfs/dbraw/zinc/98/30/65/819983065.db2.gz WTYQIPGSFPWVBY-UHFFFAOYSA-N 2 0 268.365 -0.674 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)CC[NH+](C)C)C(=O)NC1CC1 ZINC001165788575 819983113 /nfs/dbraw/zinc/98/31/13/819983113.db2.gz RFXAZQZLPRITKN-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)CC[NH+](C)C)C(=O)NC1CC1 ZINC001165788574 819983177 /nfs/dbraw/zinc/98/31/77/819983177.db2.gz RFXAZQZLPRITKN-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP Cn1ccc(C[NH2+]CCCNC(=O)CC[NH+](C)C)n1 ZINC001165794307 819983297 /nfs/dbraw/zinc/98/32/97/819983297.db2.gz RBEGGIBFNKZEBW-UHFFFAOYSA-N 2 0 267.377 -0.032 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001165781172 819983486 /nfs/dbraw/zinc/98/34/86/819983486.db2.gz JPDWAGGKLZOTOH-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001165781603 819983584 /nfs/dbraw/zinc/98/35/84/819983584.db2.gz VRQULNGTUJLCAO-GFCCVEGCSA-N 2 0 294.403 -0.187 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165793824 819983684 /nfs/dbraw/zinc/98/36/84/819983684.db2.gz BONRWBPTDQZYHS-UHFFFAOYSA-N 2 0 272.393 -0.441 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165781472 819983889 /nfs/dbraw/zinc/98/38/89/819983889.db2.gz QWNDQFXKGQLKGZ-UHFFFAOYSA-N 2 0 286.420 -0.194 20 0 CBADRP Cn1cnnc1C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165793835 819984033 /nfs/dbraw/zinc/98/40/33/819984033.db2.gz BYLIDNNKILOCDQ-UHFFFAOYSA-N 2 0 268.365 -0.637 20 0 CBADRP CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC1CC1)[NH+](C)C ZINC001166004050 819988131 /nfs/dbraw/zinc/98/81/31/819988131.db2.gz DAPLBAGXVXEOCL-CQSZACIVSA-N 2 0 298.431 -0.053 20 0 CBADRP [NH3+]CCc1nccn1-c1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001166352041 819998493 /nfs/dbraw/zinc/99/84/93/819998493.db2.gz YGQGWDDRADWEAE-LLVKDONJSA-N 2 0 274.328 -0.096 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001166626463 820008421 /nfs/dbraw/zinc/00/84/21/820008421.db2.gz GTVUJBJUUCRWRR-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166627634 820008591 /nfs/dbraw/zinc/00/85/91/820008591.db2.gz XXQVGEVQOIZEBW-OLZOCXBDSA-N 2 0 287.404 -0.426 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C)C(N)=O ZINC001166626162 820008852 /nfs/dbraw/zinc/00/88/52/820008852.db2.gz BVDLXVPFDQPSND-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CCOCCO ZINC001166627059 820009423 /nfs/dbraw/zinc/00/94/23/820009423.db2.gz OWRKYVVBXZKQCA-ZDUSSCGKSA-N 2 0 287.404 -0.425 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]Cc1cnnn1C ZINC001166633615 820010506 /nfs/dbraw/zinc/01/05/06/820010506.db2.gz IRIROAUXKJOVBP-LBPRGKRZSA-N 2 0 294.403 -0.105 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001166627460 820010542 /nfs/dbraw/zinc/01/05/42/820010542.db2.gz WBLRTPNJDPSHSD-LBPRGKRZSA-N 2 0 294.403 -0.105 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C)C(N)=O ZINC001166626640 820011034 /nfs/dbraw/zinc/01/10/34/820011034.db2.gz IIHLMDGGQTZEEQ-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001166668247 820012544 /nfs/dbraw/zinc/01/25/44/820012544.db2.gz WUYYAYAWYMBJOT-NEPJUHHUSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]Cc2nnnn2C)C1 ZINC001166668097 820012817 /nfs/dbraw/zinc/01/28/17/820012817.db2.gz QNKYBRDEFWKHRS-LLVKDONJSA-N 2 0 295.391 -0.852 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(N)=O ZINC001166676645 820013434 /nfs/dbraw/zinc/01/34/34/820013434.db2.gz AJUDTIDPJQPVPF-GHMZBOCLSA-N 2 0 270.377 -0.702 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(N)=O ZINC001166678514 820016912 /nfs/dbraw/zinc/01/69/12/820016912.db2.gz WAJOAFPCXOWWHH-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCOCCO ZINC001166695114 820016994 /nfs/dbraw/zinc/01/69/94/820016994.db2.gz ZYOYZVAZUVXZLJ-QWHCGFSZSA-N 2 0 287.404 -0.711 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166765122 820034448 /nfs/dbraw/zinc/03/44/48/820034448.db2.gz SJYMNLWVRLNUJN-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166765123 820034558 /nfs/dbraw/zinc/03/45/58/820034558.db2.gz SJYMNLWVRLNUJN-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[N@H+](CC(=O)NCCC[NH2+]CC(N)=O)CC(C)(C)C ZINC001166744300 820034652 /nfs/dbraw/zinc/03/46/52/820034652.db2.gz PHSQQUKHSZDIOQ-UHFFFAOYSA-N 2 0 272.393 -0.455 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)NCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001166765294 820035061 /nfs/dbraw/zinc/03/50/61/820035061.db2.gz WPNGRAYZMLMJJR-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC)[NH+](C)C ZINC001166866803 820041998 /nfs/dbraw/zinc/04/19/98/820041998.db2.gz UXQZNLCQZOXEGX-MNOVXSKESA-N 2 0 272.393 -0.443 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001166865895 820042698 /nfs/dbraw/zinc/04/26/98/820042698.db2.gz IVFLFZVRSBKMBR-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001166865892 820042821 /nfs/dbraw/zinc/04/28/21/820042821.db2.gz IVFLFZVRSBKMBR-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP [NH3+][C@@H]1CN(c2ncccc2C(=O)N2CC[NH2+]CC2)C[C@@H]1F ZINC001166929878 820046914 /nfs/dbraw/zinc/04/69/14/820046914.db2.gz DSXQCDKGGHWRHQ-NWDGAFQWSA-N 2 0 293.346 -0.388 20 0 CBADRP [NH3+][C@@H]1CN(c2nccc(N3CCC([NH3+])CC3)n2)C[C@@H]1F ZINC001166930387 820047473 /nfs/dbraw/zinc/04/74/73/820047473.db2.gz WFXRUEWGILVODC-WDEREUQCSA-N 2 0 280.351 -0.111 20 0 CBADRP [NH3+]C[C@H]1CN(c2ccc(N3CC[NH2+]CC3)nn2)CCO1 ZINC001166938087 820048159 /nfs/dbraw/zinc/04/81/59/820048159.db2.gz MZRGXPJCYIXWAX-NSHDSACASA-N 2 0 278.360 -0.950 20 0 CBADRP CN(C[C@@H]1CC[NH2+]C1)c1ccc(N2CC[NH2+]CC2)nn1 ZINC001166954656 820051150 /nfs/dbraw/zinc/05/11/50/820051150.db2.gz GMCPRMPNEVYEHC-GFCCVEGCSA-N 2 0 276.388 -0.068 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ncc(C)c(C2C[NH2+]C2)n1 ZINC001166968424 820057182 /nfs/dbraw/zinc/05/71/82/820057182.db2.gz NSMJVSDATZLZBF-MNOVXSKESA-N 2 0 291.355 -0.449 20 0 CBADRP CN(C)C(=O)C[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166972284 820060265 /nfs/dbraw/zinc/06/02/65/820060265.db2.gz VINVQRULLPFGMT-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001167236106 820078157 /nfs/dbraw/zinc/07/81/57/820078157.db2.gz HVGLBJMAMZXZBS-NEPJUHHUSA-N 2 0 296.415 -0.455 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001167480511 820093155 /nfs/dbraw/zinc/09/31/55/820093155.db2.gz IPPVXCVPJTUHHD-UHFFFAOYSA-N 2 0 284.404 -0.310 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001167655043 820108307 /nfs/dbraw/zinc/10/83/07/820108307.db2.gz CPDZYHAMIXJKBQ-NSHDSACASA-N 2 0 284.404 -0.312 20 0 CBADRP N=c1cc(C[NH3+])ccn1-c1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001167691108 820111385 /nfs/dbraw/zinc/11/13/85/820111385.db2.gz YUTIKHRMZAESLB-LBPRGKRZSA-N 2 0 286.339 -0.054 20 0 CBADRP [NH3+]CCc1nnn(-c2ccc3nc([C@H]4CC[NH2+]C4)nn3c2)n1 ZINC001167792531 820121788 /nfs/dbraw/zinc/12/17/88/820121788.db2.gz HRAPUXKGAHUMAW-VIFPVBQESA-N 2 0 299.342 -0.717 20 0 CBADRP C[S@@](=O)c1ncc(NC(=[NH2+])NCCCC[NH3+])cn1 ZINC001167883333 820124952 /nfs/dbraw/zinc/12/49/52/820124952.db2.gz FWVKATZIZWYZSP-GOSISDBHSA-N 2 0 270.362 -0.111 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])Nc1cncc(N2CCOCC2)n1 ZINC001167878677 820125301 /nfs/dbraw/zinc/12/53/01/820125301.db2.gz BNFAHTJZRFIQJM-UHFFFAOYSA-N 2 0 293.375 -0.012 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])Nc1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001167878562 820125705 /nfs/dbraw/zinc/12/57/05/820125705.db2.gz MVHSDGMGJFVDOP-LLVKDONJSA-N 3 0 293.375 -0.108 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])Nc1nccnc1N1CC[NH2+]CC1 ZINC001167879931 820125806 /nfs/dbraw/zinc/12/58/06/820125806.db2.gz UBXCWEANIDLYLY-UHFFFAOYSA-N 3 0 292.391 -0.439 20 0 CBADRP NC(=O)c1cc(NC(=[NH2+])NCCCC[NH3+])ccn1 ZINC001167881501 820125826 /nfs/dbraw/zinc/12/58/26/820125826.db2.gz HRBOSVUEOYEEFK-UHFFFAOYSA-N 2 0 250.306 -0.722 20 0 CBADRP N=C(Nc1nccnc1N1CC[NH2+]CC1)SCC[NH3+] ZINC001167909294 820128811 /nfs/dbraw/zinc/12/88/11/820128811.db2.gz FUQSNYNVTZHWEH-UHFFFAOYSA-N 2 0 281.389 -0.075 20 0 CBADRP C[C@@H](O)C[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168052438 820143576 /nfs/dbraw/zinc/14/35/76/820143576.db2.gz QVOYENZGIBFZTA-GFCCVEGCSA-N 2 0 297.403 -0.465 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NCCC[NH2+]CCCO)cn1 ZINC001168052908 820143903 /nfs/dbraw/zinc/14/39/03/820143903.db2.gz ZDTWCUWCRFZJEK-UHFFFAOYSA-N 2 0 297.403 -0.463 20 0 CBADRP CNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001168135992 820145061 /nfs/dbraw/zinc/14/50/61/820145061.db2.gz DNYOXYSOQGAIQH-LBPRGKRZSA-N 2 0 296.415 -0.440 20 0 CBADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]CC(N)=O)C(C)C ZINC001168667456 820167609 /nfs/dbraw/zinc/16/76/09/820167609.db2.gz VFIHWVYZVMNRMU-ZDUSSCGKSA-N 2 0 286.420 -0.066 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C ZINC001168764307 820180351 /nfs/dbraw/zinc/18/03/51/820180351.db2.gz YAUYMLOSBVLXTR-GFCCVEGCSA-N 2 0 286.420 -0.099 20 0 CBADRP [NH3+][C@H]1CCc2nn(-c3ccnc(N4CC[NH2+]CC4)n3)cc2C1 ZINC001168807384 820184585 /nfs/dbraw/zinc/18/45/85/820184585.db2.gz GGQGJDISZPZKPA-LBPRGKRZSA-N 2 0 299.382 -0.112 20 0 CBADRP [NH3+]Cc1nnnn1-c1nc(Cl)nc2c1C[NH2+]C2 ZINC001168917100 820189127 /nfs/dbraw/zinc/18/91/27/820189127.db2.gz CJWLOKOGTLUQPI-UHFFFAOYSA-N 2 0 252.669 -0.832 20 0 CBADRP [NH3+]Cc1nnnn1-c1ccc([C@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001168919874 820190891 /nfs/dbraw/zinc/19/08/91/820190891.db2.gz ADCZRFVHMPOPAE-LLVKDONJSA-N 2 0 299.338 -0.728 20 0 CBADRP COC(OC)c1c(C[NH3+])ccnc1-n1nnnc1C[NH3+] ZINC001168919048 820191718 /nfs/dbraw/zinc/19/17/18/820191718.db2.gz SQVMVUNKOPIECC-UHFFFAOYSA-N 2 0 279.304 -0.734 20 0 CBADRP [NH3+]Cc1nnnn1-c1ccc2nc([C@H]3CC[NH2+]C3)nn2c1 ZINC001168923571 820193091 /nfs/dbraw/zinc/19/30/91/820193091.db2.gz LPWLTJMLDOBPBM-QMMMGPOBSA-N 2 0 285.315 -0.759 20 0 CBADRP Cc1nc(CC[NH3+])nn1-c1ncccc1N1CC[NH2+]CC1 ZINC001168985187 820198639 /nfs/dbraw/zinc/19/86/39/820198639.db2.gz KOPCKJLMNKVMJD-UHFFFAOYSA-N 2 0 287.371 -0.118 20 0 CBADRP Cc1cnc(C[NH3+])n1-c1ccnc(N2CC[NH2+]CC2)n1 ZINC001169021350 820201822 /nfs/dbraw/zinc/20/18/22/820201822.db2.gz BTSOJOLQGPDMDY-UHFFFAOYSA-N 2 0 273.344 -0.161 20 0 CBADRP [NH3+][C@@H](CO)Cc1cncn1-c1nc(Cl)nc2c1C[NH2+]C2 ZINC001169066706 820203612 /nfs/dbraw/zinc/20/36/12/820203612.db2.gz GMZGSQNMQJNJJL-SSDOTTSWSA-N 2 0 294.746 -0.219 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1)C(N)=O ZINC001169126593 820211241 /nfs/dbraw/zinc/21/12/41/820211241.db2.gz ACNGNYSLRDADGZ-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCOCC[NH3+])CO1 ZINC001169318912 820229464 /nfs/dbraw/zinc/22/94/64/820229464.db2.gz GBYKXTWSDKBIKL-QWRGUYRKSA-N 2 0 260.334 -0.338 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](C[NH3+])C(=O)OC)CO1 ZINC001169334487 820239246 /nfs/dbraw/zinc/23/92/46/820239246.db2.gz LGDRWCFWNRMPJH-VWYCJHECSA-N 2 0 288.344 -0.565 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(C(C)=O)C1 ZINC001169531538 820250910 /nfs/dbraw/zinc/25/09/10/820250910.db2.gz GTHKUEWFGRFOQA-RYUDHWBXSA-N 2 0 270.377 -0.560 20 0 CBADRP CC(=O)N1CCC[C@@H](NC(=[NH2+])NCCCC[NH3+])C1 ZINC001169577589 820257685 /nfs/dbraw/zinc/25/76/85/820257685.db2.gz RTQAXEFWFZIUDB-LLVKDONJSA-N 2 0 255.366 -0.150 20 0 CBADRP CCOC(=O)N1CCC[C@H]([NH2+]C[C@H](O)C[NH3+])CC1 ZINC001169646357 820262587 /nfs/dbraw/zinc/26/25/87/820262587.db2.gz SKELVFFKJNCGMS-WDEREUQCSA-N 2 0 259.350 -0.093 20 0 CBADRP c1cc2c(nc1NC[C@H]1COCC[NH2+]1)OCC[NH2+]C2 ZINC001170034302 820273520 /nfs/dbraw/zinc/27/35/20/820273520.db2.gz BHQLPHDRYZQUNO-NSHDSACASA-N 2 0 264.329 -0.036 20 0 CBADRP c1nc(O[C@@H]2CC[NH2+]C2)ncc1NC[C@@H]1COCC[NH2+]1 ZINC001170044661 820275821 /nfs/dbraw/zinc/27/58/21/820275821.db2.gz NNRWGZYRWPERTC-VXGBXAGGSA-N 2 0 279.344 -0.382 20 0 CBADRP c1cc(N2CC[NH2+]CC2)ncc1NC[C@H]1COCC[NH2+]1 ZINC001170042760 820276209 /nfs/dbraw/zinc/27/62/09/820276209.db2.gz DCIBEMADBSERIH-ZDUSSCGKSA-N 2 0 277.372 -0.109 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001170210681 820280017 /nfs/dbraw/zinc/28/00/17/820280017.db2.gz GMODZXJBJUENMQ-LLVKDONJSA-N 2 0 298.387 -0.771 20 0 CBADRP CCCNC(=O)C[NH2+]CCCNC(=O)CC[N@H+](C)CC ZINC001170210513 820280112 /nfs/dbraw/zinc/28/01/12/820280112.db2.gz BJAFWTAFRJJDGY-UHFFFAOYSA-N 2 0 286.420 -0.050 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001170212438 820281573 /nfs/dbraw/zinc/28/15/73/820281573.db2.gz YOWVFHPGPFDUCN-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001170212460 820281803 /nfs/dbraw/zinc/28/18/03/820281803.db2.gz ZPKSPKXSIBFVDO-SNVBAGLBSA-N 2 0 258.366 -0.702 20 0 CBADRP Cc1c(CC[NH3+])c(=O)[nH]n1-c1ncnc2c1C[NH2+]CC2 ZINC001170340326 820287900 /nfs/dbraw/zinc/28/79/00/820287900.db2.gz NRNHIFOYDWLCST-UHFFFAOYSA-N 2 0 274.328 -0.177 20 0 CBADRP CN(CC[NH3+])CCNc1ncc2c(n1)C[NH2+]CC2 ZINC001170497403 820294175 /nfs/dbraw/zinc/29/41/75/820294175.db2.gz KKFNLNRXMYLEIQ-UHFFFAOYSA-N 2 0 250.350 -0.575 20 0 CBADRP CN(CC[NH3+])CCNc1nccc(N2CC[NH2+]CC2)n1 ZINC001170497128 820294344 /nfs/dbraw/zinc/29/43/44/820294344.db2.gz CZTFSYPBRNJNEP-UHFFFAOYSA-N 2 0 279.392 -0.811 20 0 CBADRP C[C@@H]1CN(c2ccc(NCCN(C)CC[NH3+])nn2)CC[NH2+]1 ZINC001170497057 820294512 /nfs/dbraw/zinc/29/45/12/820294512.db2.gz BYILVHBIGCMNLV-GFCCVEGCSA-N 2 0 293.419 -0.423 20 0 CBADRP [NH3+]CCOCCOCCNc1cccnc1OC1C[NH2+]C1 ZINC001170512602 820298827 /nfs/dbraw/zinc/29/88/27/820298827.db2.gz IPQFOKNPDGVCBK-UHFFFAOYSA-N 2 0 296.371 -0.164 20 0 CBADRP C[C@@H](Nc1nccc(C2C[NH2+]C2)n1)[C@H]1C[NH2+]CCO1 ZINC001170574904 820309046 /nfs/dbraw/zinc/30/90/46/820309046.db2.gz XRWGVUHQFWNIMW-BXKDBHETSA-N 2 0 263.345 -0.048 20 0 CBADRP CSc1nc(N[C@H]2C[NH2+]C[C@@H]2CO)cc(C2C[NH2+]C2)n1 ZINC001170772204 820316451 /nfs/dbraw/zinc/31/64/51/820316451.db2.gz BNIRNFOUANRADC-KOLCDFICSA-N 2 0 295.412 -0.123 20 0 CBADRP OC[C@H]1C[NH2+]C[C@H]1Nc1ncccc1N1CC[NH2+]CC1 ZINC001170772372 820316976 /nfs/dbraw/zinc/31/69/76/820316976.db2.gz CFHHNABWRKTDQQ-VXGBXAGGSA-N 2 0 277.372 -0.517 20 0 CBADRP OC[C@H]1C[NH2+]C[C@H]1Nc1nc(Cl)nc2c1CC[NH2+]CC2 ZINC001170772268 820317070 /nfs/dbraw/zinc/31/70/70/820317070.db2.gz CAUAHNUWDVSXIS-LDYMZIIASA-N 2 0 297.790 -0.190 20 0 CBADRP OC[C@H]1C[NH2+]C[C@@H]1Nc1cccnc1OC1C[NH2+]C1 ZINC001170780415 820321995 /nfs/dbraw/zinc/32/19/95/820321995.db2.gz GRZJBADWDJQTMF-SKDRFNHKSA-N 2 0 264.329 -0.576 20 0 CBADRP COC(=O)Cc1cc(N[C@H]2C[NH2+]C[C@H]2CO)cc[nH+]1 ZINC001170780536 820322622 /nfs/dbraw/zinc/32/26/22/820322622.db2.gz GSADYLMTWXWMEN-CABZTGNLSA-N 2 0 265.313 -0.211 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@@H]1Nc1c[nH+]ccc1N1CCOCC1 ZINC001170782298 820324034 /nfs/dbraw/zinc/32/40/34/820324034.db2.gz UTGZFWZDGCDFCF-RYUDHWBXSA-N 2 0 278.356 -0.090 20 0 CBADRP C[NH+]1CCN(c2ccc(N[C@H]3C[NH2+]C[C@@H]3CO)nc2)CC1 ZINC001170787892 820324647 /nfs/dbraw/zinc/32/46/47/820324647.db2.gz GQJMJWXWMGWQMH-OCCSQVGLSA-N 2 0 291.399 -0.174 20 0 CBADRP CN1CCN(c2nccnc2N[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001170898269 820332414 /nfs/dbraw/zinc/33/24/14/820332414.db2.gz ROGANJKOOYXOKV-LLVKDONJSA-N 2 0 279.392 -0.336 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1cc2c(cn1)OCC(=O)N2 ZINC001170898114 820333067 /nfs/dbraw/zinc/33/30/67/820333067.db2.gz LGPBNZSFUFGNLQ-VIFPVBQESA-N 2 0 251.290 -0.152 20 0 CBADRP C[C@]1(c2cccnc2N[C@@H]([NH3+])CCC[NH3+])NC(=O)NC1=O ZINC001170897874 820333190 /nfs/dbraw/zinc/33/31/90/820333190.db2.gz PRFLCPHWJUZAEH-NOZJJQNGSA-N 2 0 292.343 -0.428 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1cncc(N2CCOCC2)n1 ZINC001170893973 820334109 /nfs/dbraw/zinc/33/41/09/820334109.db2.gz FFQRIBXKWHOWHC-JTQLQIEISA-N 2 0 266.349 -0.251 20 0 CBADRP CN1CC(=O)Nc2ccc(N[C@@H]([NH3+])CCC[NH3+])nc21 ZINC001170899503 820334977 /nfs/dbraw/zinc/33/49/77/820334977.db2.gz ZXGVLVMBIRKZRU-SECBINFHSA-N 2 0 264.333 -0.095 20 0 CBADRP COc1c(N[C@H]([NH3+])CCC[NH3+])ncnc1C1C[NH2+]C1 ZINC001170900731 820335413 /nfs/dbraw/zinc/33/54/13/820335413.db2.gz XPWBYYVCNYFQLL-VIFPVBQESA-N 3 0 266.349 -0.392 20 0 CBADRP CN1CCN(c2ncc(N[C@@H]([NH3+])CCC[NH3+])cn2)CC1 ZINC001170900908 820335605 /nfs/dbraw/zinc/33/56/05/820335605.db2.gz ZLLKEQATNVFWIQ-GFCCVEGCSA-N 2 0 279.392 -0.336 20 0 CBADRP CN1CCN(c2cc(N[C@@H]([NH3+])CCC[NH3+])ncn2)CC1=O ZINC001170898780 820335651 /nfs/dbraw/zinc/33/56/51/820335651.db2.gz VXHJASQKHPAVPY-SNVBAGLBSA-N 2 0 293.375 -0.809 20 0 CBADRP COc1cc(N[C@H]([NH3+])CCC[NH3+])nc([S@@](C)=O)n1 ZINC001170899986 820335702 /nfs/dbraw/zinc/33/57/02/820335702.db2.gz ZHHHOUFVKKKLNS-ULCDLSAGSA-N 2 0 273.362 -0.342 20 0 CBADRP CS(=O)(=O)Nc1cncc(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001170904843 820336358 /nfs/dbraw/zinc/33/63/58/820336358.db2.gz QLKXRVSYDZEMRS-JTQLQIEISA-N 2 0 273.362 -0.111 20 0 CBADRP CCOC(=O)CN(CC[NH3+])c1cc(C[NH3+])ccn1 ZINC001170989403 820341402 /nfs/dbraw/zinc/34/14/02/820341402.db2.gz UFBMNLLTMMKWRC-UHFFFAOYSA-N 2 0 252.318 -0.132 20 0 CBADRP CCOC(=O)CN(CC[NH3+])c1cccc(C[NH3+])n1 ZINC001170996673 820343558 /nfs/dbraw/zinc/34/35/58/820343558.db2.gz ZAUOMRBXQUIISL-UHFFFAOYSA-N 2 0 252.318 -0.132 20 0 CBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]Cc1ncccn1 ZINC001171205587 820348675 /nfs/dbraw/zinc/34/86/75/820348675.db2.gz UKZIJFYNXFYWAK-UHFFFAOYSA-N 2 0 295.387 -0.349 20 0 CBADRP Cn1ccnc1C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171199125 820349339 /nfs/dbraw/zinc/34/93/39/820349339.db2.gz WZICXXQLQOHXTH-UHFFFAOYSA-N 2 0 297.403 -0.406 20 0 CBADRP CO[C@@H](C)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171205176 820349397 /nfs/dbraw/zinc/34/93/97/820349397.db2.gz PIYJYZUBOXRQCM-LBPRGKRZSA-N 2 0 275.393 -0.305 20 0 CBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]C[C@@H]1CCOC1 ZINC001171218689 820350314 /nfs/dbraw/zinc/35/03/14/820350314.db2.gz RFRUGBBIEYCUBS-ZDUSSCGKSA-N 2 0 287.404 -0.303 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001171228129 820350389 /nfs/dbraw/zinc/35/03/89/820350389.db2.gz SDDBKGCAAFYHAU-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP Cn1nncc1C[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171216364 820350835 /nfs/dbraw/zinc/35/08/35/820350835.db2.gz HFSCLEJTCJDAQW-GFCCVEGCSA-N 2 0 294.403 -0.247 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171215360 820350977 /nfs/dbraw/zinc/35/09/77/820350977.db2.gz AZHUFWPTQZJOFV-NSHDSACASA-N 2 0 270.377 -0.830 20 0 CBADRP CCOCC[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171215916 820351531 /nfs/dbraw/zinc/35/15/31/820351531.db2.gz GDOQFKCSKPDYLO-UHFFFAOYSA-N 2 0 275.393 -0.303 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]CCn2cncn2)C1 ZINC001171225838 820351768 /nfs/dbraw/zinc/35/17/68/820351768.db2.gz AERDAPOKCWTAOM-CYBMUJFWSA-N 2 0 294.403 -0.284 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001171226948 820351812 /nfs/dbraw/zinc/35/18/12/820351812.db2.gz KVHMJIQBAGCVBS-GHMZBOCLSA-N 2 0 270.377 -0.702 20 0 CBADRP Cn1ncnc1C[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171219200 820352225 /nfs/dbraw/zinc/35/22/25/820352225.db2.gz VJWPXZMPFHVFOG-LBPRGKRZSA-N 2 0 294.403 -0.247 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001171216362 820352495 /nfs/dbraw/zinc/35/24/95/820352495.db2.gz HDCZGNQHQLNYIW-STQMWFEESA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H](O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171293780 820356868 /nfs/dbraw/zinc/35/68/68/820356868.db2.gz MCXXGQRXFASCRK-NSHDSACASA-N 2 0 255.362 -0.441 20 0 CBADRP O=C(NCCC[NH2+][C@@H]1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001171312016 820357373 /nfs/dbraw/zinc/35/73/73/820357373.db2.gz XNIAXJYVVACUJZ-LLVKDONJSA-N 2 0 280.372 -0.933 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@H](CC)C(N)=O ZINC001171763188 820369703 /nfs/dbraw/zinc/36/97/03/820369703.db2.gz UWCODDQAIUCNNE-LLVKDONJSA-N 2 0 272.393 -0.312 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001171756973 820370083 /nfs/dbraw/zinc/37/00/83/820370083.db2.gz CWHHNKKSIWGFAH-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172003604 820374196 /nfs/dbraw/zinc/37/41/96/820374196.db2.gz ZFAHVHMQRGXSBI-NXEZZACHSA-N 2 0 269.345 -0.523 20 0 CBADRP CCN1CC[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)NC)CC1=O ZINC001172043878 820380894 /nfs/dbraw/zinc/38/08/94/820380894.db2.gz SBLRGWLVDSOBCP-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(CO)(CO)CO)C2 ZINC001172108147 820381901 /nfs/dbraw/zinc/38/19/01/820381901.db2.gz QHBIXHPHFJCHCO-CNDDSTCGSA-N 2 0 258.362 -0.693 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])N[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172149244 820384355 /nfs/dbraw/zinc/38/43/55/820384355.db2.gz FTSWSFKDZKTVEE-WDEREUQCSA-N 2 0 267.377 -0.007 20 0 CBADRP CC1(C)C[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CO1 ZINC001172280011 820393584 /nfs/dbraw/zinc/39/35/84/820393584.db2.gz QQYYFEPOWVKORA-VIFPVBQESA-N 2 0 261.326 -0.308 20 0 CBADRP CC[NH+](CC)C1CCC([NH2+]CC(=O)NCC(N)=O)CC1 ZINC001173111189 820400515 /nfs/dbraw/zinc/40/05/15/820400515.db2.gz YWZGEUMVUKMYPS-UHFFFAOYSA-N 2 0 284.404 -0.170 20 0 CBADRP CCN1CC[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)NC)C1 ZINC001173355491 820400584 /nfs/dbraw/zinc/40/05/84/820400584.db2.gz CFDYOSIFRIOKJC-RYUDHWBXSA-N 2 0 256.394 -0.086 20 0 CBADRP CC[N@@H+]1CC[C@@H](n2cnc(C[C@H]([NH3+])C(N)=O)c2)C1 ZINC001173356293 820403000 /nfs/dbraw/zinc/40/30/00/820403000.db2.gz GHTYZIQASRGQKC-MNOVXSKESA-N 2 0 251.334 -0.495 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCOCC[NH3+])C[C@@H]1C(=O)OC ZINC001173561816 820404435 /nfs/dbraw/zinc/40/44/35/820404435.db2.gz BSEKKARDMGBWLQ-JGPRNRPPSA-N 2 0 288.344 -0.708 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH3+])C[C@@H]1C(=O)OC ZINC001173583102 820406895 /nfs/dbraw/zinc/40/68/95/820406895.db2.gz QGKAMPFLXIUTRM-CHWFTXMASA-N 2 0 272.345 -0.088 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001176058437 820437634 /nfs/dbraw/zinc/43/76/34/820437634.db2.gz XJWPWPMWRPGXSA-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP Cn1nncc1C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176072593 820438459 /nfs/dbraw/zinc/43/84/59/820438459.db2.gz ZPOJEXRVTKRDGN-NSHDSACASA-N 2 0 280.376 -0.637 20 0 CBADRP Cn1cnnc1C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176070955 820438560 /nfs/dbraw/zinc/43/85/60/820438560.db2.gz AJPMSEQGXGLIHL-NSHDSACASA-N 2 0 280.376 -0.637 20 0 CBADRP Cn1cc(C[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001176071600 820438798 /nfs/dbraw/zinc/43/87/98/820438798.db2.gz GQCFXCDKZPOYJW-CYBMUJFWSA-N 2 0 279.388 -0.032 20 0 CBADRP O=C(C[NH2+]CCCNC(=O)C[NH+]1CCCC1)NC1CC1 ZINC001176102052 820440406 /nfs/dbraw/zinc/44/04/06/820440406.db2.gz AHTSNSYFEWXZQO-UHFFFAOYSA-N 2 0 282.388 -0.543 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176095473 820440605 /nfs/dbraw/zinc/44/06/05/820440605.db2.gz COKDKPHZMSZJMB-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP O=C(C[NH+]1CCCC1)NCCC[NH2+]CCOCCO ZINC001176102775 820441885 /nfs/dbraw/zinc/44/18/85/820441885.db2.gz LJBNLGVOWDRMET-UHFFFAOYSA-N 2 0 273.377 -0.813 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CCCO ZINC001176161824 820442314 /nfs/dbraw/zinc/44/23/14/820442314.db2.gz RWFWNXDJKWKPMY-CYBMUJFWSA-N 2 0 287.404 -0.567 20 0 CBADRP COCC[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176161012 820442479 /nfs/dbraw/zinc/44/24/79/820442479.db2.gz LKRONEUJAAMQBM-ZDUSSCGKSA-N 2 0 287.404 -0.303 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001176980878 820484584 /nfs/dbraw/zinc/48/45/84/820484584.db2.gz UTTNAKIYQSDZEZ-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001176971798 820484961 /nfs/dbraw/zinc/48/49/61/820484961.db2.gz IKWWIHWMIRYAFE-LLVKDONJSA-N 2 0 298.387 -0.772 20 0 CBADRP COCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)[C@H]1C ZINC001178414556 820580260 /nfs/dbraw/zinc/58/02/60/820580260.db2.gz MDRCCQZGCLRAQO-MELADBBJSA-N 2 0 299.415 -0.068 20 0 CBADRP COCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)[C@H]1C ZINC001178414552 820580730 /nfs/dbraw/zinc/58/07/30/820580730.db2.gz MDRCCQZGCLRAQO-IHRRRGAJSA-N 2 0 299.415 -0.068 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C)C(=O)N(C)C ZINC001179486087 820629525 /nfs/dbraw/zinc/62/95/25/820629525.db2.gz HQPHMAUNEMILAH-AGIUHOORSA-N 2 0 298.431 -0.006 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)[C@@H]1C ZINC001179744009 820639455 /nfs/dbraw/zinc/63/94/55/820639455.db2.gz CGIKPWRCPIHHGF-WOPDTQHZSA-N 2 0 284.404 -0.219 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)[C@@H]1C ZINC001179861185 820643716 /nfs/dbraw/zinc/64/37/16/820643716.db2.gz OWMDCJCQDHNSJC-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179933811 820647440 /nfs/dbraw/zinc/64/74/40/820647440.db2.gz KYKCUXKAMRKGDM-AVGNSLFASA-N 2 0 287.404 -0.476 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)C[NH+]1CCCC1 ZINC001180132249 820652336 /nfs/dbraw/zinc/65/23/36/820652336.db2.gz ZSSRLOFBIHLWPJ-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)[NH+]1CCN(CC(=O)N2CC[N@@H+]3CC[C@H]3C2)CC1 ZINC001180346724 820670761 /nfs/dbraw/zinc/67/07/61/820670761.db2.gz LIWRIQMILITCLO-AWEZNQCLSA-N 2 0 280.416 -0.071 20 0 CBADRP CC(C)[NH+]1CCN(CC(=O)N2CC[N@@H+]3CC[C@@H]3C2)CC1 ZINC001180346725 820671247 /nfs/dbraw/zinc/67/12/47/820671247.db2.gz LIWRIQMILITCLO-CQSZACIVSA-N 2 0 280.416 -0.071 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCC(C(N)=O)CC2)C1 ZINC001180612536 820699420 /nfs/dbraw/zinc/69/94/20/820699420.db2.gz XZCUTKBOHQUYBG-LBPRGKRZSA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001180899475 820739799 /nfs/dbraw/zinc/73/97/99/820739799.db2.gz MGAPCWLYXKDDIS-TYNCELHUSA-N 2 0 296.415 -0.360 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H]1CCCC[C@H]1O ZINC001181092540 820754219 /nfs/dbraw/zinc/75/42/19/820754219.db2.gz QDOXNPFTKPFQRM-VHSXEESVSA-N 2 0 256.350 -0.002 20 0 CBADRP [NH3+]CC1(NC(=O)CC23CCC[NH+]2CCC3)COC1 ZINC001181108770 820757161 /nfs/dbraw/zinc/75/71/61/820757161.db2.gz PTBXMGRKTPVBEA-UHFFFAOYSA-N 2 0 253.346 -0.151 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001181651729 820806797 /nfs/dbraw/zinc/80/67/97/820806797.db2.gz FXQJTZSTQLKTCT-OLZOCXBDSA-N 2 0 294.399 -0.450 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001181672801 820810349 /nfs/dbraw/zinc/81/03/49/820810349.db2.gz CKVONDQZHNYHPD-VXGBXAGGSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@@H]1C(=O)OC[C@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001182087835 820865768 /nfs/dbraw/zinc/86/57/68/820865768.db2.gz NEWXHUIFHJOKMK-JGVFFNPUSA-N 2 0 256.306 -0.744 20 0 CBADRP C[C@H]1C(=O)OC[C@@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001182087836 820865892 /nfs/dbraw/zinc/86/58/92/820865892.db2.gz NEWXHUIFHJOKMK-SFYZADRCSA-N 2 0 256.306 -0.744 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1COC(=O)[C@@H]1C ZINC001182091968 820868612 /nfs/dbraw/zinc/86/86/12/820868612.db2.gz IZSAXUNTXWOBGG-ZJUUUORDSA-N 2 0 284.360 -0.141 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182473054 820921598 /nfs/dbraw/zinc/92/15/98/820921598.db2.gz NRONAPNZQCLWPX-CHWSQXEVSA-N 2 0 296.415 -0.204 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676189 820935656 /nfs/dbraw/zinc/93/56/56/820935656.db2.gz DOFFDFCADHOQOI-YIYPIFLZSA-N 2 0 299.415 -0.476 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CCC1OCCO1 ZINC001182731977 820939012 /nfs/dbraw/zinc/93/90/12/820939012.db2.gz GAMFOUZSWPZXHA-UHFFFAOYSA-N 2 0 258.322 -0.400 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)COC(F)(F)F ZINC001183209210 820982086 /nfs/dbraw/zinc/98/20/86/820982086.db2.gz JACWUUPAFARCPK-UHFFFAOYSA-N 2 0 256.228 -0.016 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCO)C1)C1CC1 ZINC001183268753 820986335 /nfs/dbraw/zinc/98/63/35/820986335.db2.gz WOIJGLNRTCNAFB-CHWSQXEVSA-N 2 0 269.389 -0.101 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)C12CCC[NH+]1CCC2 ZINC001183560136 821008017 /nfs/dbraw/zinc/00/80/17/821008017.db2.gz OURHXZNIBNLEIZ-UHFFFAOYSA-N 2 0 283.372 -0.035 20 0 CBADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185032009 821094024 /nfs/dbraw/zinc/09/40/24/821094024.db2.gz SKFRBKMCYBHYPE-QWHCGFSZSA-N 2 0 298.431 -0.112 20 0 CBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185085847 821097593 /nfs/dbraw/zinc/09/75/93/821097593.db2.gz NFXGXWATNYIRFA-NWDGAFQWSA-N 2 0 284.404 -0.502 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185071719 821098247 /nfs/dbraw/zinc/09/82/47/821098247.db2.gz AOWUZELENSZGQU-STQMWFEESA-N 2 0 298.431 -0.242 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)C[NH+](C)C2 ZINC001185257300 821111638 /nfs/dbraw/zinc/11/16/38/821111638.db2.gz JEUAJNAVJZAAHY-LLVKDONJSA-N 2 0 252.362 -0.994 20 0 CBADRP Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185249412 821112341 /nfs/dbraw/zinc/11/23/41/821112341.db2.gz WSEHRVMYDBIRQT-GFCCVEGCSA-N 2 0 294.403 -0.153 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC2(C1)C[NH+](C)C2 ZINC001185257301 821112976 /nfs/dbraw/zinc/11/29/76/821112976.db2.gz JEUAJNAVJZAAHY-NSHDSACASA-N 2 0 252.362 -0.994 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC001185262946 821115904 /nfs/dbraw/zinc/11/59/04/821115904.db2.gz RZQZEFAWBVCHAT-LBPRGKRZSA-N 2 0 270.421 -0.064 20 0 CBADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001185266064 821118592 /nfs/dbraw/zinc/11/85/92/821118592.db2.gz ZASGCOHVSSUYJI-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185265969 821119538 /nfs/dbraw/zinc/11/95/38/821119538.db2.gz VLEQTPXXNQVKNQ-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001185348070 821125137 /nfs/dbraw/zinc/12/51/37/821125137.db2.gz NPFAHUFKRKMGBO-STQMWFEESA-N 2 0 298.431 -0.112 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001185385834 821127388 /nfs/dbraw/zinc/12/73/88/821127388.db2.gz VHKONOXYTRHDTH-GFCCVEGCSA-N 2 0 282.388 -0.639 20 0 CBADRP Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185408880 821128304 /nfs/dbraw/zinc/12/83/04/821128304.db2.gz ZTIOPCSCIFQPLN-LLVKDONJSA-N 2 0 280.376 -0.543 20 0 CBADRP CC(C)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185416072 821128358 /nfs/dbraw/zinc/12/83/58/821128358.db2.gz MTXZKPHIIKCILR-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP COCCOCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185407979 821128998 /nfs/dbraw/zinc/12/89/98/821128998.db2.gz IUJXEJNUZAQRFH-CYBMUJFWSA-N 2 0 287.404 -0.208 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185401610 821129439 /nfs/dbraw/zinc/12/94/39/821129439.db2.gz UUJFDNWYEBPNLN-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001185546818 821133966 /nfs/dbraw/zinc/13/39/66/821133966.db2.gz DNJHDUSQFYOHRA-QWHCGFSZSA-N 2 0 298.431 -0.112 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001185716407 821140641 /nfs/dbraw/zinc/14/06/41/821140641.db2.gz WRCSFPHQAGPACT-XQQFMLRXSA-N 2 0 298.431 -0.006 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186036663 821153813 /nfs/dbraw/zinc/15/38/13/821153813.db2.gz BPXFGCRKDFHQHH-ZDUSSCGKSA-N 2 0 269.389 -0.147 20 0 CBADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](O)C2)C1 ZINC001186044393 821156132 /nfs/dbraw/zinc/15/61/32/821156132.db2.gz GOWADYKMKKTBEW-OLZOCXBDSA-N 2 0 269.389 -0.006 20 0 CBADRP C[N@@H+]1CCC[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001186362604 821179570 /nfs/dbraw/zinc/17/95/70/821179570.db2.gz UMAHCFPBKTVACY-JTQLQIEISA-N 3 0 255.366 -0.211 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001186457804 821182763 /nfs/dbraw/zinc/18/27/63/821182763.db2.gz BIMPRKZNGAZGFU-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001186457802 821182791 /nfs/dbraw/zinc/18/27/91/821182791.db2.gz BIMPRKZNGAZGFU-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001186487587 821183422 /nfs/dbraw/zinc/18/34/22/821183422.db2.gz JMAHRSLAXBDSBU-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001186496806 821184925 /nfs/dbraw/zinc/18/49/25/821184925.db2.gz RIPZAYFEDNUBCQ-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001186496943 821185224 /nfs/dbraw/zinc/18/52/24/821185224.db2.gz UMXYPIWSMYHGHJ-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP COCC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001186616401 821190906 /nfs/dbraw/zinc/19/09/06/821190906.db2.gz QNVZIRLFMXQSBV-CYBMUJFWSA-N 2 0 299.415 -0.066 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001186825071 821198590 /nfs/dbraw/zinc/19/85/90/821198590.db2.gz XXZLJPJVGMRWFY-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001186824645 821199196 /nfs/dbraw/zinc/19/91/96/821199196.db2.gz CYICXGWKEBYQEQ-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187106505 821211521 /nfs/dbraw/zinc/21/15/21/821211521.db2.gz IRVDIJAPPVEBTI-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP C[NH+]1CCC(C(=O)N(CCO)CC[NH2+]CCCO)CC1 ZINC001279820563 828339701 /nfs/dbraw/zinc/33/97/01/828339701.db2.gz NTEGKLKXJZCARK-UHFFFAOYSA-N 2 0 287.404 -0.879 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187826355 822298565 /nfs/dbraw/zinc/29/85/65/822298565.db2.gz XZMPPCAULNNGMO-YNEHKIRRSA-N 2 0 285.388 -0.864 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187819005 822298626 /nfs/dbraw/zinc/29/86/26/822298626.db2.gz XJVPACHRRLLBHT-QWHCGFSZSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001187850982 822299983 /nfs/dbraw/zinc/29/99/83/822299983.db2.gz KFAGIQKQMJTVGX-UONOGXRCSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001282450662 828447625 /nfs/dbraw/zinc/44/76/25/828447625.db2.gz VTEKXZZQNMEZQP-MNOVXSKESA-N 2 0 298.387 -0.820 20 0 CBADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)CCO ZINC001282460823 828448453 /nfs/dbraw/zinc/44/84/53/828448453.db2.gz HAOXKYKMJWPGBS-NWDGAFQWSA-N 2 0 257.378 -0.243 20 0 CBADRP COCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001282928865 828472763 /nfs/dbraw/zinc/47/27/63/828472763.db2.gz MGEQYTMJMBMLKE-UONOGXRCSA-N 2 0 299.415 -0.066 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCO)C1)[NH+](C)C ZINC001283101203 828496599 /nfs/dbraw/zinc/49/65/99/828496599.db2.gz GMMLPCACOMGZHU-IJLUTSLNSA-N 2 0 257.378 -0.197 20 0 CBADRP CNC(=O)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001283147821 828500437 /nfs/dbraw/zinc/50/04/37/828500437.db2.gz YIHXWJKJZOGJBA-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](CCC[NH2+]CC(N)=O)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001283189571 828504972 /nfs/dbraw/zinc/50/49/72/828504972.db2.gz AHJUFJBTYOCVPW-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283827947 828554676 /nfs/dbraw/zinc/55/46/76/828554676.db2.gz VRGWYHJNMHPHOD-VXGBXAGGSA-N 2 0 257.378 -0.339 20 0 CBADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189055167 823731096 /nfs/dbraw/zinc/73/10/96/823731096.db2.gz NXNIDOYBODVQBN-RWMBFGLXSA-N 2 0 296.415 -0.395 20 0 CBADRP C[N@H+](CCOCCO)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189391360 823754135 /nfs/dbraw/zinc/75/41/35/823754135.db2.gz XOTVGIIKIWTSFU-KGLIPLIRSA-N 2 0 299.415 -0.378 20 0 CBADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001189819839 823775515 /nfs/dbraw/zinc/77/55/15/823775515.db2.gz AMBDFCIFSBNNLJ-QWHCGFSZSA-N 2 0 285.388 -0.910 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H](N(C)CC(=O)NC)C1)[NH+](C)C ZINC001190891157 823858005 /nfs/dbraw/zinc/85/80/05/823858005.db2.gz YQVFVGMBGIQCQI-NWDGAFQWSA-N 2 0 284.404 -0.395 20 0 CBADRP CNC(=O)CN(C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001191998482 823936680 /nfs/dbraw/zinc/93/66/80/823936680.db2.gz NRRCLPUYCSKCEH-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCCNC2=O)C1 ZINC001192161061 823952443 /nfs/dbraw/zinc/95/24/43/823952443.db2.gz GYFSIQUYONUJHM-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)C(N)=O)C1 ZINC001192947028 823992662 /nfs/dbraw/zinc/99/26/62/823992662.db2.gz GODDWPKCOJBLTH-NWDGAFQWSA-N 2 0 284.404 -0.265 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)C(N)=O)C1 ZINC001192947030 823992845 /nfs/dbraw/zinc/99/28/45/823992845.db2.gz GODDWPKCOJBLTH-VXGBXAGGSA-N 2 0 284.404 -0.265 20 0 CBADRP CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192958886 823994140 /nfs/dbraw/zinc/99/41/40/823994140.db2.gz GXMOYOZIFIQSGM-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CCNC(=O)CN(C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193289833 824017713 /nfs/dbraw/zinc/01/77/13/824017713.db2.gz ADMFFKPCBMCXPB-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP COCCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001284470465 828600115 /nfs/dbraw/zinc/60/01/15/828600115.db2.gz VGQZPGOZQARLDG-CHWSQXEVSA-N 2 0 287.404 -0.617 20 0 CBADRP COC(=O)c1cccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])n1 ZINC001193406277 824027092 /nfs/dbraw/zinc/02/70/92/824027092.db2.gz VVQLXMWIXOFWNX-UHFFFAOYSA-N 2 0 293.327 -0.057 20 0 CBADRP CNC(=O)CN(C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193468456 824029678 /nfs/dbraw/zinc/02/96/78/824029678.db2.gz DHGVQMVKDHGKKM-GFCCVEGCSA-N 2 0 294.399 -0.639 20 0 CBADRP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193766791 824045013 /nfs/dbraw/zinc/04/50/13/824045013.db2.gz WODLUIBFCFJSSW-JHJVBQTASA-N 2 0 269.389 -0.102 20 0 CBADRP COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774933 824045654 /nfs/dbraw/zinc/04/56/54/824045654.db2.gz YHXNPVRIOMZAKT-JHJVBQTASA-N 2 0 299.415 -0.333 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001193892220 824048403 /nfs/dbraw/zinc/04/84/03/824048403.db2.gz GMIMMBZAPDTLGO-JHJVBQTASA-N 2 0 285.388 -0.986 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001193892826 824048948 /nfs/dbraw/zinc/04/89/48/824048948.db2.gz UMUOEISIBCONQK-BFHYXJOUSA-N 2 0 299.415 -0.596 20 0 CBADRP CN(C)C(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194000297 824055457 /nfs/dbraw/zinc/05/54/57/824055457.db2.gz AKWUJZVVVQKVDA-STQMWFEESA-N 2 0 296.415 -0.441 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194036727 824055805 /nfs/dbraw/zinc/05/58/05/824055805.db2.gz CQGVGFCPFAUBPL-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP Cc1[nH]c(=O)ncc1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001194181058 824062977 /nfs/dbraw/zinc/06/29/77/824062977.db2.gz MLXBRIKZFHTSGG-UHFFFAOYSA-N 2 0 266.305 -0.435 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC)C[C@H]1O ZINC001194259306 824066267 /nfs/dbraw/zinc/06/62/67/824066267.db2.gz VLSNTXSUQFBIHS-GHMZBOCLSA-N 2 0 257.378 -0.102 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@@H](C)C(N)=O)C1 ZINC001194285965 824067466 /nfs/dbraw/zinc/06/74/66/824067466.db2.gz VWJOVTITGVHHON-NWDGAFQWSA-N 2 0 284.404 -0.267 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001195284139 824109067 /nfs/dbraw/zinc/10/90/67/824109067.db2.gz PUPHKVYNARJUMQ-KBPBESRZSA-N 2 0 299.415 -0.378 20 0 CBADRP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195821860 824134258 /nfs/dbraw/zinc/13/42/58/824134258.db2.gz QCXGTKHHSTVUBU-ZIAGYGMSSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869396 824135190 /nfs/dbraw/zinc/13/51/90/824135190.db2.gz CIMCZZHZHMJBBI-IJLUTSLNSA-N 2 0 273.377 -0.866 20 0 CBADRP C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860204 824135409 /nfs/dbraw/zinc/13/54/09/824135409.db2.gz TZEXBGFUPKRZPY-YNEHKIRRSA-N 2 0 287.404 -0.740 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001195860022 824135595 /nfs/dbraw/zinc/13/55/95/824135595.db2.gz SBJVWQCHIQPGCN-BFHYXJOUSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cncc(=O)[nH]1 ZINC001196170912 824150630 /nfs/dbraw/zinc/15/06/30/824150630.db2.gz DBXFQUCBUJSGTJ-UHFFFAOYSA-N 2 0 280.332 -0.553 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1c[nH]c(=O)c(C)n1 ZINC001196529005 824163168 /nfs/dbraw/zinc/16/31/68/824163168.db2.gz LFCSMWORKLSZEC-UHFFFAOYSA-N 2 0 294.359 -0.244 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197043988 824176690 /nfs/dbraw/zinc/17/66/90/824176690.db2.gz LHJICUWPDFTQAE-GFCCVEGCSA-N 2 0 257.378 -0.147 20 0 CBADRP C[C@H](O)C[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197043990 824176858 /nfs/dbraw/zinc/17/68/58/824176858.db2.gz LHJICUWPDFTQAE-LBPRGKRZSA-N 2 0 257.378 -0.147 20 0 CBADRP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197048870 824177083 /nfs/dbraw/zinc/17/70/83/824177083.db2.gz HWSYPYVMJUWIAV-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493148 824192474 /nfs/dbraw/zinc/19/24/74/824192474.db2.gz FQMKWQZBWLLKNJ-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001197776461 824202027 /nfs/dbraw/zinc/20/20/27/824202027.db2.gz XJADOBWUHPGUSF-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)CCOCC(=O)N1CCC[N@H+](CCCO)CC1 ZINC001197833210 824204939 /nfs/dbraw/zinc/20/49/39/824204939.db2.gz UPOKSKLBTIRDPU-UHFFFAOYSA-N 2 0 287.404 -0.519 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197832003 824205156 /nfs/dbraw/zinc/20/51/56/824205156.db2.gz GTTZPUZIUCMDRB-CYBMUJFWSA-N 2 0 287.404 -0.520 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCCN([C@H](C)C(=O)NC)CC1 ZINC001197921979 824208276 /nfs/dbraw/zinc/20/82/76/824208276.db2.gz DPMSJHPREFOLCH-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCCN([C@H](C)C(N)=O)CC1 ZINC001197914557 824210046 /nfs/dbraw/zinc/21/00/46/824210046.db2.gz WJNUGOUHLRNIJK-GFCCVEGCSA-N 2 0 284.404 -0.264 20 0 CBADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]CCCO)C1 ZINC001284818709 828623339 /nfs/dbraw/zinc/62/33/39/828623339.db2.gz PPGKLYVLKADCQQ-HIFPTAJRSA-N 2 0 269.389 -0.101 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC[N@@H+](CCOCCO)CC1 ZINC001198097560 824218803 /nfs/dbraw/zinc/21/88/03/824218803.db2.gz DDWZHIZTCITNOL-UHFFFAOYSA-N 2 0 299.415 -0.375 20 0 CBADRP O=C(NCC[NH2+]CCO)c1cncn1-c1cc[nH+]cc1 ZINC001198555812 824232419 /nfs/dbraw/zinc/23/24/19/824232419.db2.gz LDHLNYMSCUDHFW-UHFFFAOYSA-N 2 0 275.312 -0.421 20 0 CBADRP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198662518 824236508 /nfs/dbraw/zinc/23/65/08/824236508.db2.gz RBROUQHGPQMJHL-JHJVBQTASA-N 2 0 285.388 -0.864 20 0 CBADRP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198661169 824236531 /nfs/dbraw/zinc/23/65/31/824236531.db2.gz DDDOZZMDRJSGKB-BFHYXJOUSA-N 2 0 299.415 -0.476 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1O ZINC001199103940 824248733 /nfs/dbraw/zinc/24/87/33/824248733.db2.gz DWRMQPUODDTVBZ-VXGBXAGGSA-N 2 0 257.378 -0.104 20 0 CBADRP CCOc1nccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])n1 ZINC001199641128 824281181 /nfs/dbraw/zinc/28/11/81/824281181.db2.gz CYIUTEMEZHYRDV-UHFFFAOYSA-N 2 0 280.332 -0.050 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCOCCO)CC1 ZINC001199787873 824287327 /nfs/dbraw/zinc/28/73/27/824287327.db2.gz GJGQPVQATCQSKD-CQSZACIVSA-N 2 0 299.415 -0.330 20 0 CBADRP CCOCC[NH2+]C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC001199942942 824297715 /nfs/dbraw/zinc/29/77/15/824297715.db2.gz BNVAQDYXBXTREH-CQSZACIVSA-N 2 0 299.415 -0.066 20 0 CBADRP COCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200122687 824307611 /nfs/dbraw/zinc/30/76/11/824307611.db2.gz HPFBXDMGCBNJMK-KBPBESRZSA-N 2 0 299.415 -0.066 20 0 CBADRP C[NH+](C)C1(C(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)CCC1 ZINC001200688317 824324528 /nfs/dbraw/zinc/32/45/28/824324528.db2.gz NGRKYPQETQZPCY-ZDUSSCGKSA-N 2 0 299.415 -0.330 20 0 CBADRP CNC(=O)C[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001201053092 824326996 /nfs/dbraw/zinc/32/69/96/824326996.db2.gz KQFLGJUNRCZGFJ-AWEZNQCLSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)CC1 ZINC001201259586 824330243 /nfs/dbraw/zinc/33/02/43/824330243.db2.gz BUJBANLPIRTLBJ-ZDUSSCGKSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001201404318 824331768 /nfs/dbraw/zinc/33/17/68/824331768.db2.gz UMIXQRVCDSAKLD-UONOGXRCSA-N 2 0 299.415 -0.330 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001201931207 824339430 /nfs/dbraw/zinc/33/94/30/824339430.db2.gz JCKMGFGOBLOESP-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001202166005 824341526 /nfs/dbraw/zinc/34/15/26/824341526.db2.gz UCFYUKARLONJIR-ZDUSSCGKSA-N 2 0 287.404 -0.474 20 0 CBADRP CNC(=O)C[NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001202207901 824342215 /nfs/dbraw/zinc/34/22/15/824342215.db2.gz VJFCVSMLEBEEII-UHFFFAOYSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001202315874 824346683 /nfs/dbraw/zinc/34/66/83/824346683.db2.gz HNXOYYBHGHXPGP-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP COC[C@@H](O)C[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202315902 824346738 /nfs/dbraw/zinc/34/67/38/824346738.db2.gz INTHFZZRJLKHRI-ZDUSSCGKSA-N 2 0 287.404 -0.474 20 0 CBADRP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cn1ccnn1 ZINC001202748352 824351759 /nfs/dbraw/zinc/35/17/59/824351759.db2.gz ABJTVCZPEYUFED-FRRDWIJNSA-N 2 0 265.361 -0.145 20 0 CBADRP C[N@H+](CCN1CC[NH+](C)CC1)C[C@H]1CCC(=O)N1 ZINC001202878711 824354003 /nfs/dbraw/zinc/35/40/03/824354003.db2.gz RTASGHJLHDVZRU-GFCCVEGCSA-N 2 0 254.378 -0.556 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC001203203131 824359590 /nfs/dbraw/zinc/35/95/90/824359590.db2.gz HCMAQBLEPAXJLR-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203323287 824360486 /nfs/dbraw/zinc/36/04/86/824360486.db2.gz CPXOTXKYWJELND-NWDGAFQWSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](O)C[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203348714 824361768 /nfs/dbraw/zinc/36/17/68/824361768.db2.gz CBUNFVVSNAWQFU-GFCCVEGCSA-N 2 0 287.404 -0.474 20 0 CBADRP COC[C@H](O)C[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203709169 824362780 /nfs/dbraw/zinc/36/27/80/824362780.db2.gz MVEPNTYDYGCVKS-CQSZACIVSA-N 2 0 299.415 -0.330 20 0 CBADRP COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001203699695 824362836 /nfs/dbraw/zinc/36/28/36/824362836.db2.gz PYBSZLJFLXFZRO-GXTWGEPZSA-N 2 0 299.415 -0.474 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]CCOCCO)CC2)C1 ZINC001203699954 824362965 /nfs/dbraw/zinc/36/29/65/824362965.db2.gz YLDKNGCDDAZHLE-ZDUSSCGKSA-N 2 0 299.415 -0.472 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203791236 824363001 /nfs/dbraw/zinc/36/30/01/824363001.db2.gz FOZVYBUUADLKTA-NWDGAFQWSA-N 2 0 296.415 -0.171 20 0 CBADRP C[N@H+](CC(=O)N1CCC(C[NH2+]CC(N)=O)CC1)C1CCC1 ZINC001205469507 824378971 /nfs/dbraw/zinc/37/89/71/824378971.db2.gz IYHAFJOPFFZREV-UHFFFAOYSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001205526123 824379773 /nfs/dbraw/zinc/37/97/73/824379773.db2.gz FJJFHAIREVPNFA-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC001205690689 824381207 /nfs/dbraw/zinc/38/12/07/824381207.db2.gz WUDIKFNUBFGTMG-GFCCVEGCSA-N 2 0 268.317 -0.437 20 0 CBADRP CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)C1 ZINC001205946781 824390074 /nfs/dbraw/zinc/39/00/74/824390074.db2.gz QIMRFHJIWNLJDY-YNEHKIRRSA-N 2 0 255.362 -0.361 20 0 CBADRP [NH3+]C[C@H]1CN(C[C@@H]2Cc3ccccc3C[NH2+]2)C[C@@H]1O ZINC001206512312 824402003 /nfs/dbraw/zinc/40/20/03/824402003.db2.gz LYTLCPXXCXWYNS-KKUMJFAQSA-N 2 0 261.369 -0.048 20 0 CBADRP [NH3+]C[C@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001206518660 824402150 /nfs/dbraw/zinc/40/21/50/824402150.db2.gz DAYWXXUYSWXJEK-RYUDHWBXSA-N 2 0 274.328 -0.382 20 0 CBADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001206586429 824403599 /nfs/dbraw/zinc/40/35/99/824403599.db2.gz ZZKQWCXJZQUDIG-MCIONIFRSA-N 2 0 299.415 -0.474 20 0 CBADRP COC(C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1)OC ZINC001207254689 824423947 /nfs/dbraw/zinc/42/39/47/824423947.db2.gz TWDGLBXGGUDPIM-UHFFFAOYSA-N 2 0 273.377 -0.299 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207684214 824434116 /nfs/dbraw/zinc/43/41/16/824434116.db2.gz KNUUJWUGHJMKOU-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208447912 824453590 /nfs/dbraw/zinc/45/35/90/824453590.db2.gz RRBQYQYPZTYLSN-FRRDWIJNSA-N 2 0 298.431 -0.101 20 0 CBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208492809 824454558 /nfs/dbraw/zinc/45/45/58/824454558.db2.gz QBBWIYIKICNNNR-FRRDWIJNSA-N 2 0 287.404 -0.618 20 0 CBADRP C[N@H+](CCN1CCOCC1)CCN1CC[NH+](C)CC1 ZINC001209293617 824467413 /nfs/dbraw/zinc/46/74/13/824467413.db2.gz ZOGRXGGYJVUXDI-UHFFFAOYSA-N 2 0 270.421 -0.502 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001209323777 824468518 /nfs/dbraw/zinc/46/85/18/824468518.db2.gz MAFZQNONMXNIMQ-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209323317 824468944 /nfs/dbraw/zinc/46/89/44/824468944.db2.gz HNADOCDKIADFHF-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209443786 824471182 /nfs/dbraw/zinc/47/11/82/824471182.db2.gz BHUVSKKZIHEZIL-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]CCCO)C1 ZINC001209445031 824471343 /nfs/dbraw/zinc/47/13/43/824471343.db2.gz JQJIQCGJFAKSCS-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209454977 824472263 /nfs/dbraw/zinc/47/22/63/824472263.db2.gz QFKIXURGVGENEV-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP Nc1cc[nH+]cc1CN1CC[NH+](CCCO)CC1 ZINC001209730537 824475149 /nfs/dbraw/zinc/47/51/49/824475149.db2.gz WMVCTUIWWQEFTL-UHFFFAOYSA-N 2 0 250.346 -0.006 20 0 CBADRP [NH3+]C[C@H](O)c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001211418159 824484750 /nfs/dbraw/zinc/48/47/50/824484750.db2.gz SDRWSOKXHMDAIV-JTQLQIEISA-N 2 0 261.285 -0.231 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214855569 824536777 /nfs/dbraw/zinc/53/67/77/824536777.db2.gz GUJSSKANZMRCEZ-MPKXVKKWSA-N 2 0 296.415 -0.491 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214969370 824537522 /nfs/dbraw/zinc/53/75/22/824537522.db2.gz PIZBMMMQTKBVFU-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)N(C)C ZINC001215463477 824541994 /nfs/dbraw/zinc/54/19/94/824541994.db2.gz YRZFIHDBLJBKLC-JHJVBQTASA-N 2 0 298.431 -0.149 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001215456085 824542130 /nfs/dbraw/zinc/54/21/30/824542130.db2.gz MUIKTAJVXPLBKQ-DGCLKSJQSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CC(N)=O ZINC001215415716 824542382 /nfs/dbraw/zinc/54/23/82/824542382.db2.gz JAVYYHOHKKAMKN-GHMZBOCLSA-N 2 0 282.388 -0.750 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215461192 824542397 /nfs/dbraw/zinc/54/23/97/824542397.db2.gz VPCGYPDILFASII-FRRDWIJNSA-N 2 0 287.404 -0.618 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215541005 824543872 /nfs/dbraw/zinc/54/38/72/824543872.db2.gz UTCSLWIDLLSSDD-YNEHKIRRSA-N 2 0 296.415 -0.489 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001216511566 824547840 /nfs/dbraw/zinc/54/78/40/824547840.db2.gz UOTVSTNUVWADMV-IJLUTSLNSA-N 2 0 284.404 -0.362 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216754286 824548973 /nfs/dbraw/zinc/54/89/73/824548973.db2.gz OFPAUNNIUQXMME-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216756013 824549043 /nfs/dbraw/zinc/54/90/43/824549043.db2.gz OIABJGXUZZQINF-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216757874 824549341 /nfs/dbraw/zinc/54/93/41/824549341.db2.gz PIVVFIXHDZQCCN-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP C1[NH2+]CC12C[NH2+]C[C@@H]2c1nnc([C@H]2CCOC2)o1 ZINC001217705027 824558393 /nfs/dbraw/zinc/55/83/93/824558393.db2.gz YHRWGPLZIUHCIT-DTWKUNHWSA-N 2 0 250.302 -0.150 20 0 CBADRP C(O[C@H]1C[NH2+]CCOC1)[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217785411 824561301 /nfs/dbraw/zinc/56/13/01/824561301.db2.gz KWYUPARNDRHAJA-VOAKCMCISA-N 2 0 256.346 -0.242 20 0 CBADRP C(O[C@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217793060 824561412 /nfs/dbraw/zinc/56/14/12/824561412.db2.gz LXYQSCXORSBSQD-XQHKEYJVSA-N 2 0 268.357 -0.099 20 0 CBADRP C(O[C@@H]1CN2C[C@H]1[NH2+]CC2)[C@@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217804610 824561905 /nfs/dbraw/zinc/56/19/05/824561905.db2.gz QMNDRDIMSCFGBQ-PDWCTOEPSA-N 2 0 267.373 -0.574 20 0 CBADRP C(O[C@@H]1CN2C[C@H]1[NH2+]CC2)[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217804611 824561963 /nfs/dbraw/zinc/56/19/63/824561963.db2.gz QMNDRDIMSCFGBQ-XGFWRYKXSA-N 2 0 267.373 -0.574 20 0 CBADRP Cn1cnc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c2ncnc1-2 ZINC001218495967 824568178 /nfs/dbraw/zinc/56/81/78/824568178.db2.gz QXPYWUVQCVAIHF-QMMMGPOBSA-N 2 0 287.327 -0.938 20 0 CBADRP Cn1cnc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c2ncnc1-2 ZINC001218493985 824569662 /nfs/dbraw/zinc/56/96/62/824569662.db2.gz BDKJHBXZMNDNJB-ZETCQYMHSA-N 2 0 295.372 -0.727 20 0 CBADRP O=C(Nc1nnco1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218500425 824571240 /nfs/dbraw/zinc/57/12/40/824571240.db2.gz BBAVEJGGOHLAEG-MRVPVSSYSA-N 2 0 251.290 -0.118 20 0 CBADRP Cn1nnnc1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218497837 824571346 /nfs/dbraw/zinc/57/13/46/824571346.db2.gz VDGZQAMUYXESFR-QMMMGPOBSA-N 2 0 265.321 -0.977 20 0 CBADRP Cn1cnc(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n1 ZINC001218501633 824572593 /nfs/dbraw/zinc/57/25/93/824572593.db2.gz JQNPQGNWCCCZSK-SECBINFHSA-N 2 0 264.333 -0.372 20 0 CBADRP COc1nn(C)cc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218505296 824573184 /nfs/dbraw/zinc/57/31/84/824573184.db2.gz QFKJSJJKANSEBM-SNVBAGLBSA-N 2 0 296.375 -0.882 20 0 CBADRP COc1nn(C)cc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218505195 824573877 /nfs/dbraw/zinc/57/38/77/824573877.db2.gz PEVDQQRHBFOLBG-JTQLQIEISA-N 2 0 267.333 -0.306 20 0 CBADRP CSc1nccc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001218511509 824576863 /nfs/dbraw/zinc/57/68/63/824576863.db2.gz JFKHFDQWZMDRIH-MRVPVSSYSA-N 2 0 279.369 -0.054 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC001218511750 824577167 /nfs/dbraw/zinc/57/71/67/824577167.db2.gz SPBHWOUGYHKHJP-BYPYZUCNSA-N 2 0 266.227 -0.172 20 0 CBADRP C[NH+]1CCN(c2ccc(NC(=O)CNCC[NH3+])nc2)CC1 ZINC001218515958 824578241 /nfs/dbraw/zinc/57/82/41/824578241.db2.gz PARQYZJKIPURCL-UHFFFAOYSA-N 2 0 292.387 -0.680 20 0 CBADRP Cc1cc(O)cnc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218517095 824578375 /nfs/dbraw/zinc/57/83/75/824578375.db2.gz DGXLMAKXFODIQK-GFCCVEGCSA-N 2 0 293.371 -0.215 20 0 CBADRP O=C(Nc1[nH]nc2cccnc21)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218522689 824582263 /nfs/dbraw/zinc/58/22/63/824582263.db2.gz MRHRGFFXTRIJDS-QMMMGPOBSA-N 2 0 272.312 -0.295 20 0 CBADRP Cn1nc2c(c1NC(=O)[C@@H]([NH3+])CCC[NH3+])CCC2 ZINC001218529043 824585581 /nfs/dbraw/zinc/58/55/81/824585581.db2.gz YFMJLDUBPBDNFB-VIFPVBQESA-N 2 0 251.334 -0.087 20 0 CBADRP [NH3+][C@@H]1CCc2nc(NC(=O)[C@@H]3C[NH2+]CCN3)sc2C1 ZINC001218535066 824585637 /nfs/dbraw/zinc/58/56/37/824585637.db2.gz WNJBQOPLUVUJBH-APPZFPTMSA-N 2 0 281.385 -0.541 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)C1 ZINC001218532512 824585655 /nfs/dbraw/zinc/58/56/55/824585655.db2.gz FTBHNFTVJKHLLA-OOZYFLPDSA-N 2 0 281.385 -0.413 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218532370 824586152 /nfs/dbraw/zinc/58/61/52/824586152.db2.gz FXOWYYJEOGTYBF-JGVFFNPUSA-N 3 0 283.401 -0.036 20 0 CBADRP [NH3+][C@@H]1CCc2nc(NC(=O)[C@H]3C[NH2+]C[C@@H]3O)sc2C1 ZINC001218535009 824586181 /nfs/dbraw/zinc/58/61/81/824586181.db2.gz VWHYJJCRTJGXQP-FJXKBIBVSA-N 2 0 282.369 -0.522 20 0 CBADRP [NH3+]CCCNCC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218534258 824586220 /nfs/dbraw/zinc/58/62/20/824586220.db2.gz SBIFECHFHDVJHV-QMMMGPOBSA-N 2 0 283.401 -0.164 20 0 CBADRP Nc1cccnc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218538115 824587202 /nfs/dbraw/zinc/58/72/02/824587202.db2.gz GTQGWEGAHGOCJX-NSHDSACASA-N 2 0 278.360 -0.647 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cccnc1F ZINC001218544998 824588475 /nfs/dbraw/zinc/58/84/75/824588475.db2.gz ROSZYGQSJDYFCY-SNVBAGLBSA-N 2 0 281.335 -0.090 20 0 CBADRP Cn1ncc2c1ncnc2NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218557444 824590182 /nfs/dbraw/zinc/59/01/82/824590182.db2.gz SFMMXXDLLPWONF-SNVBAGLBSA-N 2 0 289.343 -0.371 20 0 CBADRP Cn1ncc2c1ncnc2NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218557401 824590417 /nfs/dbraw/zinc/59/04/17/824590417.db2.gz QXYRRFXCYOUNCL-SECBINFHSA-N 2 0 287.327 -0.889 20 0 CBADRP Cn1ncc2c1ncnc2NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218557274 824590580 /nfs/dbraw/zinc/59/05/80/824590580.db2.gz MWNVWCBWOUIJCR-VIFPVBQESA-N 2 0 277.332 -0.242 20 0 CBADRP CN(C)c1cc[nH+]cc1NC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001218563143 824591386 /nfs/dbraw/zinc/59/13/86/824591386.db2.gz LSTQLTGTDCFUGB-GZMMTYOYSA-N 2 0 250.302 -0.334 20 0 CBADRP CCOC(=O)c1[nH]cnc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218558516 824592260 /nfs/dbraw/zinc/59/22/60/824592260.db2.gz CDISCWDODLZTFZ-SECBINFHSA-N 2 0 295.343 -0.148 20 0 CBADRP Cc1nonc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218561744 824592517 /nfs/dbraw/zinc/59/25/17/824592517.db2.gz LFTCFFLRTBBJTE-LDYMZIIASA-N 2 0 251.290 -0.484 20 0 CBADRP Cc1nc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])cc(=O)[nH]1 ZINC001218565003 824593323 /nfs/dbraw/zinc/59/33/23/824593323.db2.gz OPNYNOCFVAAAHD-ZETCQYMHSA-N 2 0 271.346 -0.552 20 0 CBADRP Cc1ccc(O)c(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001218565086 824593851 /nfs/dbraw/zinc/59/38/51/824593851.db2.gz RFAJKJJIPMASHV-VIFPVBQESA-N 2 0 262.313 -0.157 20 0 CBADRP N=c1c(N)c(Cl)ccn1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218567816 824594131 /nfs/dbraw/zinc/59/41/31/824594131.db2.gz UQSRNJWBNWBFMH-SSDOTTSWSA-N 2 0 257.725 -0.090 20 0 CBADRP Cc1ccc(O)c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001218565599 824594185 /nfs/dbraw/zinc/59/41/85/824594185.db2.gz YAPKMJTVXCDNKA-NSHDSACASA-N 2 0 293.371 -0.215 20 0 CBADRP NC(=O)c1n[nH]cc1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218565662 824595099 /nfs/dbraw/zinc/59/50/99/824595099.db2.gz YAFSIDHSWXLLKJ-MRVPVSSYSA-N 2 0 292.343 -0.679 20 0 CBADRP COc1cc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)no1 ZINC001218574091 824595954 /nfs/dbraw/zinc/59/59/54/824595954.db2.gz QECQWHGMQHLEEF-VIFPVBQESA-N 2 0 283.332 -0.628 20 0 CBADRP COC(=O)c1cncc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])n1 ZINC001218579335 824599086 /nfs/dbraw/zinc/59/90/86/824599086.db2.gz CEDXEDXDQFPREW-ZETCQYMHSA-N 2 0 299.356 -0.779 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cncc(C(=O)OC)n1 ZINC001218580349 824599567 /nfs/dbraw/zinc/59/95/67/824599567.db2.gz NJWOEVBWXRTGAP-VIFPVBQESA-N 2 0 295.343 -0.081 20 0 CBADRP N=c1ccc(F)c(N)n1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218605666 824601727 /nfs/dbraw/zinc/60/17/27/824601727.db2.gz IMVUCFLTDZFKMC-JTQLQIEISA-N 2 0 296.350 -0.921 20 0 CBADRP N=c1c(N)cnc(Cl)n1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218621612 824606021 /nfs/dbraw/zinc/60/60/21/824606021.db2.gz KRNHXABCRCNXCI-LURJTMIESA-N 2 0 282.735 -0.953 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])c1nccnc1N ZINC001218624168 824606985 /nfs/dbraw/zinc/60/69/85/824606985.db2.gz XCCUVXMDYGQKPH-QMMMGPOBSA-N 2 0 252.322 -0.522 20 0 CBADRP Nc1cnc(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cn1 ZINC001218624264 824607396 /nfs/dbraw/zinc/60/73/96/824607396.db2.gz YXHGKXHZTPHOTD-VIFPVBQESA-N 2 0 276.344 -0.129 20 0 CBADRP CN(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1nccnc1N ZINC001218623435 824607780 /nfs/dbraw/zinc/60/77/80/824607780.db2.gz MTJBVVZWHFJNCT-JTQLQIEISA-N 2 0 290.371 -0.104 20 0 CBADRP COC(=O)c1cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cn1C ZINC001218632121 824610203 /nfs/dbraw/zinc/61/02/03/824610203.db2.gz PBSFABJPEYHRKV-JTQLQIEISA-N 2 0 292.339 -0.441 20 0 CBADRP COc1nccc(N)c1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218634491 824610299 /nfs/dbraw/zinc/61/02/99/824610299.db2.gz UJFSIQWUEOHMSS-MRVPVSSYSA-N 2 0 277.328 -0.580 20 0 CBADRP COC(=O)c1onc(C)c1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218636503 824611638 /nfs/dbraw/zinc/61/16/38/824611638.db2.gz XSWLGQYNSGGXGB-MRVPVSSYSA-N 2 0 294.311 -0.483 20 0 CBADRP Cc1nc(Cl)c(N)c(=N)n1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218641592 824612282 /nfs/dbraw/zinc/61/22/82/824612282.db2.gz GIUFSZMIMYMPPL-ZETCQYMHSA-N 2 0 296.762 -0.644 20 0 CBADRP CCOC(=O)c1cccc(NC(=O)[C@@H](N)CC[NH3+])n1 ZINC001218648590 824614170 /nfs/dbraw/zinc/61/41/70/824614170.db2.gz XNYJDMQUHGNSGG-QMMMGPOBSA-N 2 0 266.301 -0.127 20 0 CBADRP Nc1cnc(Cl)c(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)n1 ZINC001218674182 824621357 /nfs/dbraw/zinc/62/13/57/824621357.db2.gz UMTYRZRRLDOEKO-MRVPVSSYSA-N 2 0 284.751 -0.022 20 0 CBADRP Nc1cccnc1N(C(=O)C[C@@H](O)C[NH3+])C1CC[NH2+]CC1 ZINC001218695343 824622106 /nfs/dbraw/zinc/62/21/06/824622106.db2.gz UVENTAGQIANZHB-LLVKDONJSA-N 2 0 293.371 -0.542 20 0 CBADRP Nc1cccnc1N(C(=O)[C@@H](N)C[NH3+])C1CC[NH2+]CC1 ZINC001218694609 824622716 /nfs/dbraw/zinc/62/27/16/824622716.db2.gz AMGGQJJDXNSNMK-NSHDSACASA-N 2 0 278.360 -0.965 20 0 CBADRP COCn1cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cn1 ZINC001218700150 824623266 /nfs/dbraw/zinc/62/32/66/824623266.db2.gz DZYFYXLEZQUXDV-JTQLQIEISA-N 2 0 265.317 -0.766 20 0 CBADRP [NH3+]Cc1cncc(NC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)c1 ZINC001218703610 824625902 /nfs/dbraw/zinc/62/59/02/824625902.db2.gz GPOYSFHFKXZRCP-ZWNOBZJWSA-N 2 0 261.329 -0.570 20 0 CBADRP [NH3+]Cc1cncc(NC(=O)[C@]23C[NH2+]C[C@H]2CCN3)c1 ZINC001218703608 824625942 /nfs/dbraw/zinc/62/59/42/824625942.db2.gz GPOYSFHFKXZRCP-MFKMUULPSA-N 2 0 261.329 -0.570 20 0 CBADRP O=C(Nc1cc([C@H]2CCC[NH2+]2)no1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001218713488 824627163 /nfs/dbraw/zinc/62/71/63/824627163.db2.gz RZSPCVPJTHBEMO-XKSSXDPKSA-N 2 0 266.301 -0.240 20 0 CBADRP O=C(Nc1cc([C@H]2CCC[NH2+]2)no1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001218713483 824627637 /nfs/dbraw/zinc/62/76/37/824627637.db2.gz RZSPCVPJTHBEMO-NQMVMOMDSA-N 2 0 266.301 -0.240 20 0 CBADRP O=C(Nc1cc([C@H]2CCC[NH2+]2)no1)[C@@H]1C[NH2+]CCN1 ZINC001218710394 824627701 /nfs/dbraw/zinc/62/77/01/824627701.db2.gz FFMZELMASMYXOX-SCZZXKLOSA-N 2 0 265.317 -0.401 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218725610 824628693 /nfs/dbraw/zinc/62/86/93/824628693.db2.gz ZHWLGTGXYGVSHQ-GFCCVEGCSA-N 2 0 293.371 -0.343 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)C1 ZINC001218731251 824629303 /nfs/dbraw/zinc/62/93/03/824629303.db2.gz JWZXRNCJMYEHQA-WCQGTBRESA-N 2 0 291.355 -0.550 20 0 CBADRP [NH3+]CCNCC(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218732007 824629416 /nfs/dbraw/zinc/62/94/16/824629416.db2.gz WFWURZJNNBMVDE-LLVKDONJSA-N 2 0 279.344 -0.691 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cn(CCF)cn1 ZINC001218742828 824631375 /nfs/dbraw/zinc/63/13/75/824631375.db2.gz CXBVSNLOINVQOS-NSHDSACASA-N 2 0 298.366 -0.459 20 0 CBADRP CN(C)c1cc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)[nH]n1 ZINC001218743611 824631503 /nfs/dbraw/zinc/63/15/03/824631503.db2.gz VGSRQGKEIQJPAL-NSHDSACASA-N 2 0 266.349 -0.259 20 0 CBADRP CCN=c1ccc(N)cn1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218741822 824632105 /nfs/dbraw/zinc/63/21/05/824632105.db2.gz RDVUZOCAKRTRCX-NSHDSACASA-N 2 0 275.356 -0.560 20 0 CBADRP CN=c1c(N)cc(Cl)nn1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218743713 824632346 /nfs/dbraw/zinc/63/23/46/824632346.db2.gz XHCUUAOUKGFSGY-JTQLQIEISA-N 2 0 298.778 -0.384 20 0 CBADRP CCOC(=O)c1nc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c[nH]1 ZINC001218765734 824635935 /nfs/dbraw/zinc/63/59/35/824635935.db2.gz ZMCVVWLOLFUVJP-QMMMGPOBSA-N 2 0 293.327 -0.666 20 0 CBADRP [NH3+][C@@H](C(=O)Nc1cnc2nccn2c1)C1CC[NH2+]CC1 ZINC001218784946 824637058 /nfs/dbraw/zinc/63/70/58/824637058.db2.gz NOKFOIXBTICTSP-LLVKDONJSA-N 2 0 274.328 -0.005 20 0 CBADRP COC(=O)/C=C/c1ccc(NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)nc1 ZINC001218803247 824640418 /nfs/dbraw/zinc/64/04/18/824640418.db2.gz UMICYZXOMHCUFQ-YYMQPOIQSA-N 2 0 290.323 -0.105 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccccc1CO ZINC001218829508 824642671 /nfs/dbraw/zinc/64/26/71/824642671.db2.gz IATRSPJNGMVFBN-ZDUSSCGKSA-N 2 0 292.383 -0.132 20 0 CBADRP O=C(Nc1ccccc1-c1nn[nH]n1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218856054 824642794 /nfs/dbraw/zinc/64/27/94/824642794.db2.gz PFVYSTCHFFSTTC-SNVBAGLBSA-N 2 0 299.338 -0.386 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001218937124 824648474 /nfs/dbraw/zinc/64/84/74/824648474.db2.gz KVAMNDYKYYUEEK-ZDUSSCGKSA-N 2 0 262.357 -0.011 20 0 CBADRP [NH3+]CCNCC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001219029560 824654265 /nfs/dbraw/zinc/65/42/65/824654265.db2.gz CRQJDYJJNQVXBD-UHFFFAOYSA-N 2 0 264.329 -0.345 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219119239 824665377 /nfs/dbraw/zinc/66/53/77/824665377.db2.gz VVDBNRRRMJGQKE-ZDUSSCGKSA-N 2 0 277.372 -0.289 20 0 CBADRP N[C@@]1(C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)CC[NH2+]C1 ZINC001219119263 824665462 /nfs/dbraw/zinc/66/54/62/824665462.db2.gz WCODOKUVKWQASX-HNNXBMFYSA-N 2 0 289.383 -0.275 20 0 CBADRP N[C@@H](C[NH3+])C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219291124 824686971 /nfs/dbraw/zinc/68/69/71/824686971.db2.gz SHPXQJUBNAXSMA-NSHDSACASA-N 2 0 295.362 -0.022 20 0 CBADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)[C@H]1C[NH2+]C[C@H]1O ZINC001219536938 824723015 /nfs/dbraw/zinc/72/30/15/824723015.db2.gz GWRXZUXBIVWOCA-JQEKQURRSA-N 2 0 289.335 -0.347 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219532639 824723487 /nfs/dbraw/zinc/72/34/87/824723487.db2.gz BPUAECRGXQLOCP-PTRXPTGYSA-N 2 0 277.324 -0.217 20 0 CBADRP N[C@@H](C[NH3+])C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219538153 824724598 /nfs/dbraw/zinc/72/45/98/824724598.db2.gz VOSKIMOARDGXCY-VHSKPIJISA-N 2 0 262.313 -0.641 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219540379 824724696 /nfs/dbraw/zinc/72/46/96/824724696.db2.gz GDABLNALCRCVPM-WJZNIJOASA-N 2 0 288.351 -0.380 20 0 CBADRP O=C(Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219537926 824724890 /nfs/dbraw/zinc/72/48/90/824724890.db2.gz RNLLCOKYHNXHNV-PFWNZEGQSA-N 2 0 289.335 -0.204 20 0 CBADRP C[NH+](C)CCNC(=O)[C@@H]([NH3+])Cc1cccc(O)c1 ZINC001219553802 824727712 /nfs/dbraw/zinc/72/77/12/824727712.db2.gz MLFODXAGLHKPQO-LBPRGKRZSA-N 2 0 251.330 -0.060 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001219555552 824727842 /nfs/dbraw/zinc/72/78/42/824727842.db2.gz FVZWXSQGNNFRND-WZRBSPASSA-N 2 0 254.378 -0.334 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001219555793 824728559 /nfs/dbraw/zinc/72/85/59/824728559.db2.gz SDHMWUSNHXYDDZ-BTDLBPIBSA-N 2 0 263.407 -0.460 20 0 CBADRP Cn1ccnc1CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219563857 824730671 /nfs/dbraw/zinc/73/06/71/824730671.db2.gz LDDPOJOTAJVDMC-LLVKDONJSA-N 2 0 277.372 -0.090 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCC(F)F ZINC001219561335 824731358 /nfs/dbraw/zinc/73/13/58/824731358.db2.gz GGEPRQJQTYLFHW-MRVPVSSYSA-N 2 0 250.293 -0.882 20 0 CBADRP [NH3+][C@H](C(=O)NCCn1ccnc1)C1CC[NH2+]CC1 ZINC001219563708 824731383 /nfs/dbraw/zinc/73/13/83/824731383.db2.gz IZZHPIPRUJTRHQ-NSHDSACASA-N 2 0 251.334 -0.674 20 0 CBADRP O=C(NCCn1ccnc1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219563664 824731663 /nfs/dbraw/zinc/73/16/63/824731663.db2.gz GPFRSNGBSPBYPV-DGCLKSJQSA-N 2 0 263.345 -0.802 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCCN1CCCCC1=O ZINC001219569310 824733391 /nfs/dbraw/zinc/73/33/91/824733391.db2.gz KYNCCMNVJWTUKE-LBPRGKRZSA-N 2 0 284.404 -0.039 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@H]2CCC3(C[NH2+]C3)O2)C[NH2+]1 ZINC001219583135 824735690 /nfs/dbraw/zinc/73/56/90/824735690.db2.gz PNQKPMNGKFIGGS-GARJFASQSA-N 2 0 253.346 -0.236 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)C2=NO[C@@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001219582798 824736130 /nfs/dbraw/zinc/73/61/30/824736130.db2.gz JMEGIHVTPAXOKO-KWBADKCTSA-N 2 0 266.345 -0.249 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CC[S@@](C)=O)C[NH2+]1 ZINC001219586881 824736277 /nfs/dbraw/zinc/73/62/77/824736277.db2.gz HVRSRZZSQNOXRC-DSEUGIAESA-N 2 0 261.391 -0.661 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@]2(C)CC[NH2+]C[C@H]2O)C[NH2+]1 ZINC001219582857 824736794 /nfs/dbraw/zinc/73/67/94/824736794.db2.gz LXLHVJKKAMCAFR-MEWQQHAOSA-N 2 0 255.362 -0.396 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])C[NH2+]1 ZINC001219587298 824737866 /nfs/dbraw/zinc/73/78/66/824737866.db2.gz ZKSCAFCWXHMAEW-GUBZILKMSA-N 3 0 260.407 -0.738 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)c2ncn3c2C[NH2+]CC3)C[NH2+]1 ZINC001219591976 824738139 /nfs/dbraw/zinc/73/81/39/824738139.db2.gz CPLVGLKUERCHKS-UWVGGRQHSA-N 2 0 263.345 -0.143 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])C(=O)c1ccccc1C[NH3+] ZINC001219595473 824739402 /nfs/dbraw/zinc/73/94/02/824739402.db2.gz BGJWLWOCRJECRP-UHFFFAOYSA-N 2 0 271.342 -0.494 20 0 CBADRP Cc1cc(C)n(CCNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001219595649 824739441 /nfs/dbraw/zinc/73/94/41/824739441.db2.gz JPOLBJRCOHRYBP-LBPRGKRZSA-N 2 0 277.372 -0.575 20 0 CBADRP Cc1cccn2c(CNC(=O)[C@H]([NH3+])CCC[NH3+])nnc12 ZINC001219597850 824741162 /nfs/dbraw/zinc/74/11/62/824741162.db2.gz WTCNGSIESIDJEK-SNVBAGLBSA-N 2 0 276.344 -0.280 20 0 CBADRP CC(F)(F)CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219601675 824742012 /nfs/dbraw/zinc/74/20/12/824742012.db2.gz WGPHKOGIHYKDMM-VIFPVBQESA-N 2 0 264.320 -0.492 20 0 CBADRP Cc1cc(CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)no1 ZINC001219604037 824849759 /nfs/dbraw/zinc/84/97/59/824849759.db2.gz IFVNUHJQQFLJFT-LLVKDONJSA-N 2 0 252.318 -0.074 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@@H](O)c1ccco1 ZINC001219604070 824851360 /nfs/dbraw/zinc/85/13/60/824851360.db2.gz ISVIJSLXTGDBNS-DTWKUNHWSA-N 2 0 273.358 -0.552 20 0 CBADRP Cc1nocc1CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219607817 824852879 /nfs/dbraw/zinc/85/28/79/824852879.db2.gz BWIKGIKTIMDCDX-SNVBAGLBSA-N 2 0 250.302 -0.592 20 0 CBADRP Cc1nocc1CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219608498 824852978 /nfs/dbraw/zinc/85/29/78/824852978.db2.gz XSNIBPNDQUJABJ-DGCLKSJQSA-N 2 0 264.329 -0.202 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219609644 824853926 /nfs/dbraw/zinc/85/39/26/824853926.db2.gz ATSTYJQDWGYELT-XPUUQOCRSA-N 2 0 255.240 -0.893 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219613689 824854500 /nfs/dbraw/zinc/85/45/00/824854500.db2.gz OGEHIQQNFCTYPV-SCZZXKLOSA-N 2 0 281.278 -0.225 20 0 CBADRP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1[NH2+]CC[C@H]1O ZINC001219614434 824854549 /nfs/dbraw/zinc/85/45/49/824854549.db2.gz ZPJPMUWJUCGSTK-FJXKBIBVSA-N 2 0 267.251 -0.880 20 0 CBADRP N[C@@]1(C(=O)N[C@@]2(C(F)(F)F)CC[NH2+]C2)CCC[NH2+]C1 ZINC001219610258 824854739 /nfs/dbraw/zinc/85/47/39/824854739.db2.gz MCESONJHNJUCMR-UWVGGRQHSA-N 2 0 280.294 -0.522 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1C[C@@]12CC[NH2+]C2 ZINC001219617365 824856539 /nfs/dbraw/zinc/85/65/39/824856539.db2.gz LTUYSQQZNQKUSO-LYIQGSDWSA-N 2 0 271.336 -0.835 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617670 824856596 /nfs/dbraw/zinc/85/65/96/824856596.db2.gz ODDBFQPLWABBPY-MRBYEJRBSA-N 2 0 273.352 -0.447 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[NH+]2CCC1CC2 ZINC001219619541 824857820 /nfs/dbraw/zinc/85/78/20/824857820.db2.gz JNRJGKXDCFVUNH-MBNYWOFBSA-N 2 0 285.363 -0.493 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219619591 824858338 /nfs/dbraw/zinc/85/83/38/824858338.db2.gz LDLANTLBJUVDEM-GMXVVIOVSA-N 2 0 275.368 -0.201 20 0 CBADRP [NH3+]C1(CC(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CCOCC1 ZINC001219622683 824860631 /nfs/dbraw/zinc/86/06/31/824860631.db2.gz YZHZUXWQLUUBDV-GXFFZTMASA-N 2 0 289.351 -0.937 20 0 CBADRP O=C(C[C@H]1C[NH2+]CC1(F)F)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219621602 824861243 /nfs/dbraw/zinc/86/12/43/824861243.db2.gz FHMARUSMVPWLTK-ATZCPNFKSA-N 2 0 295.305 -0.590 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219636222 824867492 /nfs/dbraw/zinc/86/74/92/824867492.db2.gz XKWJWVQWSYZQPM-RFGFWPKPSA-N 2 0 298.406 -0.124 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635367 824867773 /nfs/dbraw/zinc/86/77/73/824867773.db2.gz DASLRHBPEHOUFU-GMOBBJLQSA-N 2 0 288.367 -0.708 20 0 CBADRP Cn1cnc(CCNC(=O)[C@@H]([NH3+])CCCC[NH3+])c1 ZINC001219633917 824868276 /nfs/dbraw/zinc/86/82/76/824868276.db2.gz IVYQMROGDARCII-NSHDSACASA-N 2 0 253.350 -0.465 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)C2=NO[C@]3(CC[NH2+]C3)C2)C1 ZINC001219641694 824869428 /nfs/dbraw/zinc/86/94/28/824869428.db2.gz KOCBTQRALCAWJF-COPLHBTASA-N 2 0 280.372 -0.143 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001219641871 824869495 /nfs/dbraw/zinc/86/94/95/824869495.db2.gz MHGKWTSAOFDAGQ-KZVDOYCCSA-N 2 0 266.389 -0.700 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[NH2+]CCCO2)C1 ZINC001219641635 824869853 /nfs/dbraw/zinc/86/98/53/824869853.db2.gz JRIKRHZUMLKJBK-UTUOFQBUSA-N 2 0 255.362 -0.273 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@]2(C)CC[NH2+]C[C@@H]2O)C1 ZINC001219642257 824870147 /nfs/dbraw/zinc/87/01/47/824870147.db2.gz QSJWZEPDKOQFQB-KZVDOYCCSA-N 2 0 269.389 -0.291 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1 ZINC001219641158 824870318 /nfs/dbraw/zinc/87/03/18/824870318.db2.gz GBIQAMQGLKRTSA-SKENRDBWSA-N 2 0 266.389 -0.430 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC001219641781 824870573 /nfs/dbraw/zinc/87/05/73/824870573.db2.gz LGHRVMILFVMJNU-UHXUPSOCSA-N 2 0 267.373 -0.416 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)C2(N)CC[NH2+]CC2)C1 ZINC001219644576 824871075 /nfs/dbraw/zinc/87/10/75/824871075.db2.gz CPZKZLUCHOVMKN-QWRGUYRKSA-N 2 0 254.378 -0.571 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC001219645713 824871231 /nfs/dbraw/zinc/87/12/31/824871231.db2.gz MIENAHHZDRWJLC-XQQFMLRXSA-N 2 0 296.415 -0.312 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219645510 824871320 /nfs/dbraw/zinc/87/13/20/824871320.db2.gz LHKXFUNYXYMVTF-AGIUHOORSA-N 2 0 298.431 -0.162 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)C1 ZINC001219642837 824871638 /nfs/dbraw/zinc/87/16/38/824871638.db2.gz YGEZIRSDDKBFBQ-KSSYENDESA-N 2 0 267.373 -0.275 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC001219644776 824871608 /nfs/dbraw/zinc/87/16/08/824871608.db2.gz FXQMOKFKIHBENN-RYUDHWBXSA-N 2 0 254.378 -0.747 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])CO2)C1 ZINC001219645952 824871619 /nfs/dbraw/zinc/87/16/19/824871619.db2.gz OCCVNUZCAFOVQX-QCNOEVLYSA-N 2 0 255.362 -0.146 20 0 CBADRP CCOC(=O)C1(C(=O)NC[C@@H]2C[NH2+]C[C@@H](C)C2)C[NH2+]C1 ZINC001219645875 824871824 /nfs/dbraw/zinc/87/18/24/824871824.db2.gz NHPRRQMCIDERFZ-QWRGUYRKSA-N 2 0 283.372 -0.499 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCN2C)C1 ZINC001219649180 824872576 /nfs/dbraw/zinc/87/25/76/824872576.db2.gz GGNLELFUGVKCMI-AVGNSLFASA-N 2 0 268.405 -0.406 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219649817 824872661 /nfs/dbraw/zinc/87/26/61/824872661.db2.gz LEXHHCSTKKXELR-XBFCOCLRSA-N 2 0 298.431 -0.018 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[NH2+]C[C@@H]3CCO[C@@H]32)C1 ZINC001219648987 824872708 /nfs/dbraw/zinc/87/27/08/824872708.db2.gz CVVXJNFIQZUKFC-VJTDZRGJSA-N 2 0 281.400 -0.027 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001219646610 824873096 /nfs/dbraw/zinc/87/30/96/824873096.db2.gz VXQNARYQZWKPOL-WOPDTQHZSA-N 3 0 256.394 -0.196 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCN2C)C1 ZINC001219649182 824873111 /nfs/dbraw/zinc/87/31/11/824873111.db2.gz GGNLELFUGVKCMI-XQQFMLRXSA-N 2 0 268.405 -0.406 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001219649949 824873262 /nfs/dbraw/zinc/87/32/62/824873262.db2.gz LWPDONXXUVNWHO-GMXVVIOVSA-N 3 0 268.405 -0.325 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC001219650095 824873284 /nfs/dbraw/zinc/87/32/84/824873284.db2.gz MCPRITZAGNTUQO-SRVKXCTJSA-N 2 0 254.378 -0.748 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001219648996 824873440 /nfs/dbraw/zinc/87/34/40/824873440.db2.gz CZQMDVGJSZIKCA-OBJOEFQTSA-N 3 0 297.447 -0.901 20 0 CBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219651890 824874435 /nfs/dbraw/zinc/87/44/35/824874435.db2.gz YSWRDHNVPSCYLV-YUTCNCBUSA-N 2 0 298.431 -0.018 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219651603 824874636 /nfs/dbraw/zinc/87/46/36/824874636.db2.gz WPEGJOFHUNRIOL-FDYHWXHSSA-N 2 0 297.399 -0.253 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001219671653 824875876 /nfs/dbraw/zinc/87/58/76/824875876.db2.gz MYFKPWQFQSSOCI-QWRGUYRKSA-N 2 0 291.417 -0.651 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001219671572 824875928 /nfs/dbraw/zinc/87/59/28/824875928.db2.gz KFOCOPNYYRULNB-UWVGGRQHSA-N 2 0 277.390 -0.864 20 0 CBADRP COC(=O)c1csc(CNC(=O)[C@@H]([NH3+])CCC[NH3+])n1 ZINC001219665915 824876053 /nfs/dbraw/zinc/87/60/53/824876053.db2.gz AQOIPVBAYJWRGE-ZETCQYMHSA-N 2 0 286.357 -0.388 20 0 CBADRP C[C@@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])CC[S@@](C)=O)C[NH2+]1 ZINC001219683940 824877444 /nfs/dbraw/zinc/87/74/44/824877444.db2.gz HNSFZXIYQATMKA-DOPGDHIKSA-N 2 0 261.391 -0.804 20 0 CBADRP C[C@@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])CSCC[NH3+])C[NH2+]1 ZINC001219683570 824877552 /nfs/dbraw/zinc/87/75/52/824877552.db2.gz AKOLSLDGOYCYHK-BBBLOLIVSA-N 3 0 260.407 -0.880 20 0 CBADRP C[C@@H]1C[C@@H](CNC(=O)CNC2CC[NH2+]CC2)C[NH2+]1 ZINC001219684553 824877715 /nfs/dbraw/zinc/87/77/15/824877715.db2.gz PTAFVGCYBGYGSL-GHMZBOCLSA-N 2 0 254.378 -0.558 20 0 CBADRP O=C(NCc1cc[nH]n1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219688954 824880250 /nfs/dbraw/zinc/88/02/50/824880250.db2.gz ASFWXGIMICAYQY-LLVKDONJSA-N 2 0 263.345 -0.100 20 0 CBADRP CN1CCO[C@H](CNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C1 ZINC001219694822 824881149 /nfs/dbraw/zinc/88/11/49/824881149.db2.gz MZVMRLNFNSROBN-OLZOCXBDSA-N 2 0 286.420 -0.508 20 0 CBADRP [NH3+][C@H](Cc1ccccc1F)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219697848 824881184 /nfs/dbraw/zinc/88/11/84/824881184.db2.gz YXGTUZRQHMCQOQ-GFCCVEGCSA-N 2 0 281.331 -0.464 20 0 CBADRP CN(C(=O)CCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C1CC1 ZINC001219693106 824881579 /nfs/dbraw/zinc/88/15/79/824881579.db2.gz NRBPXTBCFPXWSZ-ZDUSSCGKSA-N 2 0 282.388 -0.560 20 0 CBADRP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)NCCC2(O)C[NH2+]C2)C1 ZINC001219696167 824882299 /nfs/dbraw/zinc/88/22/99/824882299.db2.gz ASHOUDXRYASVIT-MNOVXSKESA-N 2 0 285.388 -0.627 20 0 CBADRP O=C(NCCC1(O)C[NH2+]C1)[C@@H]1CC[C@H](C(F)(F)F)C[NH2+]1 ZINC001219697867 824882721 /nfs/dbraw/zinc/88/27/21/824882721.db2.gz ZGZNDBBRSTXZCB-IUCAKERBSA-N 2 0 295.305 -0.243 20 0 CBADRP O=C(NCCC1(O)C[NH2+]C1)[C@H]1CC[C@H](C(F)(F)F)C[NH2+]1 ZINC001219697866 824882773 /nfs/dbraw/zinc/88/27/73/824882773.db2.gz ZGZNDBBRSTXZCB-DTWKUNHWSA-N 2 0 295.305 -0.243 20 0 CBADRP Nc1nc(=O)[nH]cc1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219701753 824883444 /nfs/dbraw/zinc/88/34/44/824883444.db2.gz PQSBXPHLUBKPLL-MRVPVSSYSA-N 2 0 292.343 -0.423 20 0 CBADRP Nc1nc(=O)c2ccccc2n1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219717961 824884710 /nfs/dbraw/zinc/88/47/10/824884710.db2.gz ACNUHCASKXSPFN-JTQLQIEISA-N 2 0 299.334 -0.329 20 0 CBADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@@H]1CC[C@H](C(F)(F)F)C[NH2+]1 ZINC001219720394 824886142 /nfs/dbraw/zinc/88/61/42/824886142.db2.gz LFPZJVCSYPHAAP-XSPKLOCKSA-N 2 0 281.278 -0.241 20 0 CBADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@H]1CC[C@H](C(F)(F)F)C[NH2+]1 ZINC001219720392 824886940 /nfs/dbraw/zinc/88/69/40/824886940.db2.gz LFPZJVCSYPHAAP-RBXMUDONSA-N 2 0 281.278 -0.241 20 0 CBADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@H]1[NH2+]CCC[C@H]1C(F)(F)F ZINC001219720875 824887179 /nfs/dbraw/zinc/88/71/79/824887179.db2.gz UJAXFWGGLYRXAR-XAVMHZPKSA-N 2 0 281.278 -0.241 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219739038 824888697 /nfs/dbraw/zinc/88/86/97/824888697.db2.gz FWVFYPVPKKPCAW-RYUDHWBXSA-N 3 0 284.404 -0.673 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219736664 824888773 /nfs/dbraw/zinc/88/87/73/824888773.db2.gz DXMIDTACXPIKJB-RYUDHWBXSA-N 3 0 284.404 -0.802 20 0 CBADRP O=C(C=C1CC[NH2+]CC1)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219739222 824888816 /nfs/dbraw/zinc/88/88/16/824888816.db2.gz JLABKXUXTUESKW-GFCCVEGCSA-N 2 0 265.357 -0.209 20 0 CBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1CCCC[NH2+]1 ZINC001219746462 824889377 /nfs/dbraw/zinc/88/93/77/824889377.db2.gz JSRDZHMSKGTYBJ-JTQLQIEISA-N 2 0 278.360 -0.470 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744481 824889558 /nfs/dbraw/zinc/88/95/58/824889558.db2.gz XRPNIUQLIKSKBP-GFCCVEGCSA-N 3 0 284.404 -0.658 20 0 CBADRP N[C@@]1(C(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)O2)CC[NH2+]C1 ZINC001219743550 824890546 /nfs/dbraw/zinc/89/05/46/824890546.db2.gz GSLPZYIADVASRM-FZMZJTMJSA-N 2 0 282.388 -0.905 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764841 824891320 /nfs/dbraw/zinc/89/13/20/824891320.db2.gz MKNMRCIVSUZKCR-MJBXVCDLSA-N 2 0 280.416 -0.214 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765999 824891392 /nfs/dbraw/zinc/89/13/92/824891392.db2.gz KTEDIHYWMSSWLC-UTLUCORTSA-N 2 0 276.331 -0.621 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219767646 824891643 /nfs/dbraw/zinc/89/16/43/824891643.db2.gz AYWOOALFFIZLGG-GXFFZTMASA-N 2 0 286.351 -0.856 20 0 CBADRP [NH3+][C@@H](Cn1cccn1)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219773492 824893184 /nfs/dbraw/zinc/89/31/84/824893184.db2.gz VBGURVGPGLEFFD-LBPRGKRZSA-N 2 0 277.372 -0.141 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1C[NH2+]CC[C@H]1O ZINC001219773423 824893496 /nfs/dbraw/zinc/89/34/96/824893496.db2.gz RTSVCIZGCXMTON-NWDGAFQWSA-N 2 0 267.373 -0.395 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1C[NH2+]C[C@H](O)C1 ZINC001219773470 824893502 /nfs/dbraw/zinc/89/35/02/824893502.db2.gz UAQFRTIRUGGHJM-ZYHUDNBSSA-N 2 0 267.373 -0.395 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219773480 824893572 /nfs/dbraw/zinc/89/35/72/824893572.db2.gz UKUVCAOHKSJVAG-IAQYHMDHSA-N 2 0 278.400 -0.414 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1C[NH2+]C[C@@H](O)C1 ZINC001219773468 824893734 /nfs/dbraw/zinc/89/37/34/824893734.db2.gz UAQFRTIRUGGHJM-JQWIXIFHSA-N 2 0 267.373 -0.395 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219773466 824893935 /nfs/dbraw/zinc/89/39/35/824893935.db2.gz TZYJKRJVEGHZQQ-ZDUSSCGKSA-N 2 0 291.399 -0.062 20 0 CBADRP COCCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798682 824894969 /nfs/dbraw/zinc/89/49/69/824894969.db2.gz QUHJXXXLRDHNRO-OLZOCXBDSA-N 2 0 299.415 -0.332 20 0 CBADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)C1CC[NH2+]CC1 ZINC001219801103 824895262 /nfs/dbraw/zinc/89/52/62/824895262.db2.gz SLIXARDIGLKCAA-GFCCVEGCSA-N 2 0 267.373 -0.129 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219801258 824895431 /nfs/dbraw/zinc/89/54/31/824895431.db2.gz WNYJBZUQDLLFSS-QJPTWQEYSA-N 2 0 267.373 -0.001 20 0 CBADRP [NH3+][C@H](C(=O)NCC[C@@H]1CCOC12C[NH2+]C2)C1CC[NH2+]CC1 ZINC001219799801 824895941 /nfs/dbraw/zinc/89/59/41/824895941.db2.gz CURYNYPBYCFDNK-OLZOCXBDSA-N 3 0 296.415 -0.802 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800938 824896148 /nfs/dbraw/zinc/89/61/48/824896148.db2.gz PDUXSADUYVEPDP-PWSUYJOCSA-N 2 0 293.371 -0.836 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])CC(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219812859 824897529 /nfs/dbraw/zinc/89/75/29/824897529.db2.gz JWWNDMJQQRUHRV-ZOWXZIJZSA-N 2 0 299.415 -0.129 20 0 CBADRP [NH3+]CCNCC(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219819046 824897617 /nfs/dbraw/zinc/89/76/17/824897617.db2.gz ZBTIHHMHHBBVAN-OCCSQVGLSA-N 2 0 262.357 -0.246 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219816848 824898032 /nfs/dbraw/zinc/89/80/32/824898032.db2.gz SPXBRDOHMYLHCL-XQQFMLRXSA-N 2 0 262.357 -0.118 20 0 CBADRP N[C@@]1(C(=O)N[C@H]2C[NH2+]Cc3ccsc32)CC[NH2+]C1 ZINC001219825333 824898952 /nfs/dbraw/zinc/89/89/52/824898952.db2.gz HOQWNNMMUKLQBD-CABZTGNLSA-N 2 0 266.370 -0.301 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831196 824898988 /nfs/dbraw/zinc/89/89/88/824898988.db2.gz AXYUUARIULZOIJ-MQYQWHSLSA-N 3 0 298.431 -0.461 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831530 824899100 /nfs/dbraw/zinc/89/91/00/824899100.db2.gz NTWAFTVNELLJFZ-LOWDOPEQSA-N 2 0 267.373 -0.131 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001219829854 824900458 /nfs/dbraw/zinc/90/04/58/824900458.db2.gz GMIMMBZAPDTLGO-XQQFMLRXSA-N 2 0 285.388 -0.986 20 0 CBADRP C[C@]1(C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)CCC[NH2+]1 ZINC001219838496 824900914 /nfs/dbraw/zinc/90/09/14/824900914.db2.gz QXLIABMQFXCTBT-BPLDGKMQSA-N 2 0 297.399 -0.360 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837502 824901630 /nfs/dbraw/zinc/90/16/30/824901630.db2.gz KCKRULRISLWNHP-KYEXWDHISA-N 2 0 297.399 -0.375 20 0 CBADRP [NH3+][C@H](C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)C1CCC(O)CC1 ZINC001219847667 824901695 /nfs/dbraw/zinc/90/16/95/824901695.db2.gz OIQFTSBMYXQWQU-APBBGKMSSA-N 2 0 297.399 -0.500 20 0 CBADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)C1CC[NH2+]CC1 ZINC001219836913 824901986 /nfs/dbraw/zinc/90/19/86/824901986.db2.gz GFIKZXXIDRSXAO-SWLSCSKDSA-N 2 0 297.399 -0.503 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854738 824902723 /nfs/dbraw/zinc/90/27/23/824902723.db2.gz RZOQQIHJFVNKRU-PZWNZHSQSA-N 2 0 253.346 -0.523 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850495 824902773 /nfs/dbraw/zinc/90/27/73/824902773.db2.gz WHFAQBPHZUKCPA-FPMFFAJLSA-N 2 0 296.415 -0.931 20 0 CBADRP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001219854746 824902790 /nfs/dbraw/zinc/90/27/90/824902790.db2.gz SMDJCYUWXQMOCS-NAWOPXAZSA-N 2 0 297.399 -0.365 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219850228 824902939 /nfs/dbraw/zinc/90/29/39/824902939.db2.gz ONFZJEJIEMNYJS-FIQHERPVSA-N 2 0 285.388 -0.236 20 0 CBADRP O=C(C=C1CC[NH2+]CC1)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856382 824903062 /nfs/dbraw/zinc/90/30/62/824903062.db2.gz KPNNNZWIKMXNSD-GRYCIOLGSA-N 2 0 251.330 -0.601 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850595 824903224 /nfs/dbraw/zinc/90/32/24/824903224.db2.gz YLTRJSQYJXFSMN-FTYKPCCVSA-N 2 0 293.371 -0.980 20 0 CBADRP C[C@H]1CC[NH2+][C@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001219853987 824903382 /nfs/dbraw/zinc/90/33/82/824903382.db2.gz AUAPSTOVIQXBDX-KZZRWZIVSA-N 2 0 253.346 -0.523 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856377 824903390 /nfs/dbraw/zinc/90/33/90/824903390.db2.gz KOLPTLGJQSBKHB-VPOLOUISSA-N 2 0 271.361 -0.768 20 0 CBADRP [NH3+][C@H](C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)c1ccccc1 ZINC001219854425 824903456 /nfs/dbraw/zinc/90/34/56/824903456.db2.gz ILRMNQKXRGKDEN-XQHKEYJVSA-N 2 0 261.325 -0.211 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001219867765 824904434 /nfs/dbraw/zinc/90/44/34/824904434.db2.gz RCNSCVHVLDHBLI-LLVKDONJSA-N 3 0 254.378 -0.475 20 0 CBADRP CCOC(=O)CC(=N)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219882788 824909822 /nfs/dbraw/zinc/90/98/22/824909822.db2.gz NCJCJUHAPMSTDE-JTQLQIEISA-N 2 0 296.371 -0.093 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@]12C[C@H]1CN(C(C)=O)C2 ZINC001219891196 824910646 /nfs/dbraw/zinc/91/06/46/824910646.db2.gz PJNGDPILTKWSCM-OBJOEFQTSA-N 2 0 282.388 -0.560 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C)C[NH+](C)C ZINC001219916411 824912999 /nfs/dbraw/zinc/91/29/99/824912999.db2.gz VDYMZVYUZYHCQJ-WOPDTQHZSA-N 2 0 286.420 -0.069 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219916201 824914251 /nfs/dbraw/zinc/91/42/51/824914251.db2.gz NRFUIJGNHWKPFE-DMDPSCGWSA-N 3 0 254.378 -0.748 20 0 CBADRP C[NH+](C)CCCCCNC(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001219921662 824914921 /nfs/dbraw/zinc/91/49/21/824914921.db2.gz XNAYXLWDBCPYMQ-CYBMUJFWSA-N 2 0 256.394 -0.085 20 0 CBADRP [NH3+][C@@H](Cc1ccsc1)C(=O)NCC[NH2+]CCO ZINC001219918260 824914926 /nfs/dbraw/zinc/91/49/26/824914926.db2.gz IVUSEGSZYNHQPL-JTQLQIEISA-N 2 0 257.359 -0.684 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@@H]1CC[C@H](C(F)(F)F)C[NH2+]1 ZINC001219918186 824915012 /nfs/dbraw/zinc/91/50/12/824915012.db2.gz HIDFCJHAGPSOQV-IUCAKERBSA-N 2 0 283.294 -0.385 20 0 CBADRP CC(C)[C@@]1(C(=O)NCC[NH2+]CCO)CCC[NH2+]C1 ZINC001219919094 824915215 /nfs/dbraw/zinc/91/52/15/824915215.db2.gz XILCGSBPWIXQSH-CYBMUJFWSA-N 2 0 257.378 -0.290 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@H]1Cc2ccccc2C[NH2+]1 ZINC001219919218 824915471 /nfs/dbraw/zinc/91/54/71/824915471.db2.gz ZPXSSYAPFVDEEG-CYBMUJFWSA-N 2 0 263.341 -0.601 20 0 CBADRP C[NH+](C)CCCCCNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219918263 824915574 /nfs/dbraw/zinc/91/55/74/824915574.db2.gz IYYZRSUPXWHBOI-LBPRGKRZSA-N 2 0 284.404 -0.835 20 0 CBADRP C[NH+](C)CCCCCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001219921789 824915603 /nfs/dbraw/zinc/91/56/03/824915603.db2.gz YECZFZYWHCIREL-NSHDSACASA-N 3 0 276.450 -0.146 20 0 CBADRP Cc1nccn1CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219934697 824916344 /nfs/dbraw/zinc/91/63/44/824916344.db2.gz IJATXHPTHPAOKI-NSHDSACASA-N 2 0 263.345 -0.883 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219931254 824916964 /nfs/dbraw/zinc/91/69/64/824916964.db2.gz NPFAAGIWDFKVIA-ZDUSSCGKSA-N 2 0 291.399 -0.159 20 0 CBADRP Nc1ccccc1CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219927522 824917433 /nfs/dbraw/zinc/91/74/33/824917433.db2.gz PKDCKQPJFVDKDV-CQSZACIVSA-N 2 0 291.399 -0.365 20 0 CBADRP CC(C)(C)C(=O)CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219945554 824919983 /nfs/dbraw/zinc/91/99/83/824919983.db2.gz MSBHSWAJWATQPQ-NSHDSACASA-N 2 0 284.404 -0.532 20 0 CBADRP Cc1c[nH]c(CCNC(=O)[C@@H]([NH3+])CCCC[NH3+])n1 ZINC001219952124 824921203 /nfs/dbraw/zinc/92/12/03/824921203.db2.gz PBFWBBGDKSPFPD-JTQLQIEISA-N 2 0 253.350 -0.167 20 0 CBADRP Cc1c[nH]c(CCNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)n1 ZINC001219952115 824921300 /nfs/dbraw/zinc/92/13/00/824921300.db2.gz ONCSJNNYPOEQSI-LBPRGKRZSA-N 2 0 265.361 -0.296 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@H]2[NH2+]CC[C@H]2O)CC1 ZINC001219954725 824922446 /nfs/dbraw/zinc/92/24/46/824922446.db2.gz PDAHFYPQYOXUEA-NEPJUHHUSA-N 2 0 255.362 -0.300 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC001219954730 824922832 /nfs/dbraw/zinc/92/28/32/824922832.db2.gz PENUCIVLKCKDNQ-VXGBXAGGSA-N 2 0 255.362 -0.443 20 0 CBADRP NC(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])cc1 ZINC001219962968 824924092 /nfs/dbraw/zinc/92/40/92/824924092.db2.gz MZJDXPWBNGZXPT-NSHDSACASA-N 2 0 296.396 -0.579 20 0 CBADRP NC(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CCCC[NH3+])cc1 ZINC001219961826 824924869 /nfs/dbraw/zinc/92/48/69/824924869.db2.gz XZRABGNYGCNITA-LBPRGKRZSA-N 2 0 278.356 -0.142 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCCCc1c[nH][nH]c1=O ZINC001219970342 824925723 /nfs/dbraw/zinc/92/57/23/824925723.db2.gz YNWKZAPQRDQDHZ-QWRGUYRKSA-N 2 0 283.376 -0.539 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@H]1CCCCO1 ZINC001219978390 824927381 /nfs/dbraw/zinc/92/73/81/824927381.db2.gz LXNQYPQCIMPOAX-ZJUUUORDSA-N 2 0 261.391 -0.309 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CCCCO1 ZINC001219978114 824928204 /nfs/dbraw/zinc/92/82/04/824928204.db2.gz DBOGGLIMGXCHJD-CHWSQXEVSA-N 2 0 284.404 -0.578 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001219978591 824928347 /nfs/dbraw/zinc/92/83/47/824928347.db2.gz PIZXTPWWBXPPAJ-RYUDHWBXSA-N 3 0 256.394 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H]2[NH2+]CC[C@H]2O)C1 ZINC001219980528 824929834 /nfs/dbraw/zinc/92/98/34/824929834.db2.gz KIGXCSDOBNTWLY-TUAOUCFPSA-N 2 0 255.362 -0.443 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@]2(N)CCC[NH2+]C2)C1 ZINC001219980992 824929863 /nfs/dbraw/zinc/92/98/63/824929863.db2.gz SYLYNGDJAUJNER-GXTWGEPZSA-N 2 0 268.405 -0.085 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[NH2+]C[C@H]2O)C1 ZINC001219981111 824930098 /nfs/dbraw/zinc/93/00/98/824930098.db2.gz XITADUQXTJOCGN-IJLUTSLNSA-N 2 0 255.362 -0.585 20 0 CBADRP COC(=O)C1(NC(=O)[C@H]2CC[NH2+]C[C@H]2F)CC[NH2+]CC1 ZINC001220001809 824931493 /nfs/dbraw/zinc/93/14/93/824931493.db2.gz XNVCYSKIPBTAEK-VHSXEESVSA-N 2 0 287.335 -0.655 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCc1cccnn1 ZINC001220018519 824934962 /nfs/dbraw/zinc/93/49/62/824934962.db2.gz HBRDNYPSDUHESL-JTQLQIEISA-N 2 0 251.334 -0.061 20 0 CBADRP N=c1cc(C[NH3+])ncn1C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001220020485 824936865 /nfs/dbraw/zinc/93/68/65/824936865.db2.gz KOLGUWGMFSHVHZ-INTQDDNPSA-N 2 0 277.328 -0.772 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])CC(=O)n1cnc(C[NH3+])cc1=N ZINC001220020868 824936913 /nfs/dbraw/zinc/93/69/13/824936913.db2.gz YPYUFFYOGGQWHT-SECBINFHSA-N 2 0 281.360 -0.006 20 0 CBADRP N=c1sc2c(n1C(=O)C[C@@H](O)C[NH3+])CC[C@H]([NH3+])C2 ZINC001220023379 824937617 /nfs/dbraw/zinc/93/76/17/824937617.db2.gz WQQNBZLXAQUCRZ-NKWVEPMBSA-N 2 0 270.358 -0.805 20 0 CBADRP CC(C)[C@](C)(NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C(N)=O ZINC001220023435 824938077 /nfs/dbraw/zinc/93/80/77/824938077.db2.gz YVCIFDMWFADZDT-GWCFXTLKSA-N 2 0 270.377 -0.671 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC(=O)NC1=O ZINC001220031565 824939688 /nfs/dbraw/zinc/93/96/88/824939688.db2.gz XMDJZRKCZFLURP-WDEREUQCSA-N 2 0 298.387 -0.597 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1ccncc1F ZINC001220037484 824940569 /nfs/dbraw/zinc/94/05/69/824940569.db2.gz AYWWBGUSHDHXHZ-ZDUSSCGKSA-N 2 0 295.362 -0.413 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1ccncc1F ZINC001220038314 824941036 /nfs/dbraw/zinc/94/10/36/824941036.db2.gz VWMCOBJHZASVAC-JTQLQIEISA-N 2 0 272.349 -0.144 20 0 CBADRP N=c1cc(C[NH3+])ccn1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220044917 824942335 /nfs/dbraw/zinc/94/23/35/824942335.db2.gz DPKNKPPVHYGNON-NSHDSACASA-N 3 0 265.361 -0.087 20 0 CBADRP COC(=O)CCCCCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220048230 824944036 /nfs/dbraw/zinc/94/40/36/824944036.db2.gz JQYZUFAIKHRKEN-JTQLQIEISA-N 2 0 291.417 -0.145 20 0 CBADRP COC(=O)CCCCCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220047932 824944137 /nfs/dbraw/zinc/94/41/37/824944137.db2.gz DTQCMOZHECSLEH-LLVKDONJSA-N 2 0 283.372 -0.355 20 0 CBADRP COC(=O)C1(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCCC1 ZINC001220048775 824944305 /nfs/dbraw/zinc/94/43/05/824944305.db2.gz WCPHCXYLCRKFEF-SNVBAGLBSA-N 2 0 281.356 -0.603 20 0 CBADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)CNCC[NH3+] ZINC001220061655 824947647 /nfs/dbraw/zinc/94/76/47/824947647.db2.gz BIOOFEAUXSUDDN-LBPRGKRZSA-N 2 0 256.394 -0.085 20 0 CBADRP CCOC(=O)C(C)(C)NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220063765 824948321 /nfs/dbraw/zinc/94/83/21/824948321.db2.gz BPVRINSLADNRRD-JTQLQIEISA-N 2 0 271.361 -0.229 20 0 CBADRP C[C@@H](OC(C)(C)C)[C@@H](N)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220101158 824954586 /nfs/dbraw/zinc/95/45/86/824954586.db2.gz ATEXMZPBGJUBOV-NXEZZACHSA-N 2 0 287.408 -0.022 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220103074 824954611 /nfs/dbraw/zinc/95/46/11/824954611.db2.gz FODWICYBBAYCHX-NSHDSACASA-N 4 0 296.419 -0.678 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccc([C@H](N)C[NH3+])cc1 ZINC001220103136 824954776 /nfs/dbraw/zinc/95/47/76/824954776.db2.gz HXRSZTRVVKHADG-GFCCVEGCSA-N 3 0 292.387 -0.280 20 0 CBADRP CCOC(=O)C(F)(F)CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220097275 824955488 /nfs/dbraw/zinc/95/54/88/824955488.db2.gz TUYGBMVMLTXAOO-SECBINFHSA-N 2 0 293.314 -0.372 20 0 CBADRP NC(=[NH2+])N(C(=O)[C@H]1C[NH2+]C[C@H]1O)c1ccccc1F ZINC001220106401 824957145 /nfs/dbraw/zinc/95/71/45/824957145.db2.gz LZTGNEWDXRKWRD-OIBJUYFYSA-N 2 0 266.276 -0.368 20 0 CBADRP N=C(NC(=O)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1)SCC[NH3+] ZINC001220106695 824957410 /nfs/dbraw/zinc/95/74/10/824957410.db2.gz YCVZDLHEQZSAIB-WDEREUQCSA-N 2 0 299.444 -0.197 20 0 CBADRP Cc1cnc(=O)[nH]c1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220123185 824960554 /nfs/dbraw/zinc/96/05/54/824960554.db2.gz YUAQKQWWXBQYIW-QMMMGPOBSA-N 2 0 253.306 -0.115 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1cccc(F)n1 ZINC001220124728 824960615 /nfs/dbraw/zinc/96/06/15/824960615.db2.gz IQLHCFBGHFKWOX-VIFPVBQESA-N 2 0 272.349 -0.144 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCC1(F)CCOCC1 ZINC001220137208 824963041 /nfs/dbraw/zinc/96/30/41/824963041.db2.gz WJPAZWMKTPAPIW-VIFPVBQESA-N 2 0 279.381 -0.360 20 0 CBADRP [NH3+]CC1(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C[NH2+]2)COC1 ZINC001220153973 824970404 /nfs/dbraw/zinc/97/04/04/824970404.db2.gz GGXPICPZQAXPBN-SFYZADRCSA-N 2 0 281.278 -0.239 20 0 CBADRP N=C(NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1nccs1 ZINC001220154711 824970522 /nfs/dbraw/zinc/97/05/22/824970522.db2.gz XJTLSRHLTDDTPL-PRHODGIISA-N 2 0 279.369 -0.216 20 0 CBADRP [NH3+]CC1(NC(=O)[C@H]2CC[C@H](C(F)(F)F)C[NH2+]2)COC1 ZINC001220153972 824971246 /nfs/dbraw/zinc/97/12/46/824971246.db2.gz GGXPICPZQAXPBN-JGVFFNPUSA-N 2 0 281.278 -0.239 20 0 CBADRP [NH3+]CC1(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)COC1 ZINC001220153833 824971602 /nfs/dbraw/zinc/97/16/02/824971602.db2.gz AELJJYDXRCMOCS-GFCCVEGCSA-N 2 0 261.325 -0.455 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001220158769 824972295 /nfs/dbraw/zinc/97/22/95/824972295.db2.gz HTNFTAJDVQKJJI-QWRGUYRKSA-N 2 0 268.361 -0.854 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001220157181 824972621 /nfs/dbraw/zinc/97/26/21/824972621.db2.gz ZRMBDGXFVQLHNL-MBNYWOFBSA-N 3 0 266.389 -0.604 20 0 CBADRP [NH3+]CC1(NC(=O)C23CCC([NH3+])(CC2)CC3)COC1 ZINC001220156965 824973518 /nfs/dbraw/zinc/97/35/18/824973518.db2.gz RWVSBMOWPJAQHM-UHFFFAOYSA-N 2 0 253.346 -0.118 20 0 CBADRP O=C(N[C@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220163448 824974478 /nfs/dbraw/zinc/97/44/78/824974478.db2.gz QWJZMHKINDDPNP-MNXVOIDGSA-N 2 0 267.373 -0.252 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220160006 824974804 /nfs/dbraw/zinc/97/48/04/824974804.db2.gz UVPHJFFAWPKXKN-LOWVWBTDSA-N 2 0 255.362 -0.265 20 0 CBADRP CC(C)N1CC(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001220159403 824974828 /nfs/dbraw/zinc/97/48/28/824974828.db2.gz OHZBQYBWQLWESH-GFCCVEGCSA-N 2 0 254.378 -0.478 20 0 CBADRP O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220163449 824974873 /nfs/dbraw/zinc/97/48/73/824974873.db2.gz QWJZMHKINDDPNP-OWTLIXCDSA-N 2 0 267.373 -0.252 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)N[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001220161586 824974920 /nfs/dbraw/zinc/97/49/20/824974920.db2.gz DHKMWSDXOKYIHI-ZJQBRPOHSA-N 2 0 266.389 -0.286 20 0 CBADRP CC(C)N1CC(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001220160276 824975017 /nfs/dbraw/zinc/97/50/17/824975017.db2.gz WQHLDMVBJDWHAD-LLVKDONJSA-N 2 0 252.362 -0.996 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220159450 824975129 /nfs/dbraw/zinc/97/51/29/824975129.db2.gz ORCNFXKZBROSTJ-MBNYWOFBSA-N 2 0 283.372 -0.085 20 0 CBADRP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220163872 824976070 /nfs/dbraw/zinc/97/60/70/824976070.db2.gz WFEABPSNKKYZGA-BYNQJWBRSA-N 2 0 267.373 -0.252 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H]1COCCC12OCCO2 ZINC001220173270 824977548 /nfs/dbraw/zinc/97/75/48/824977548.db2.gz LTNUNJHEUOBPDW-WDEREUQCSA-N 2 0 287.360 -0.909 20 0 CBADRP O=C(N[C@H]1COCC[C@@H]1O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220181288 824980944 /nfs/dbraw/zinc/98/09/44/824980944.db2.gz IJCWYXFAVZRUCV-WOPDTQHZSA-N 2 0 283.372 -0.873 20 0 CBADRP COc1ccnc(C(=N)NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)n1 ZINC001220183120 824981118 /nfs/dbraw/zinc/98/11/18/824981118.db2.gz FRBAIRBDIGDXTK-JTQLQIEISA-N 2 0 292.343 -0.746 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCNCC1(F)F ZINC001220186788 824982700 /nfs/dbraw/zinc/98/27/00/824982700.db2.gz VFLXVLLZSZKNDJ-UWVGGRQHSA-N 2 0 278.347 -0.196 20 0 CBADRP CC1(C)C[C@@H](CNC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)O1 ZINC001220197871 824983952 /nfs/dbraw/zinc/98/39/52/824983952.db2.gz VDHRAQCNSHLIJW-UWVGGRQHSA-N 2 0 252.318 -0.037 20 0 CBADRP CC1(C)C[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)O1 ZINC001220200259 824984431 /nfs/dbraw/zinc/98/44/31/824984431.db2.gz FRILQGICYDSSGG-JTNHKYCSSA-N 2 0 267.373 -0.131 20 0 CBADRP CC1(C)C[C@@H](CNC(=O)[C@@H]([NH3+])CSCC[NH3+])O1 ZINC001220200190 824985300 /nfs/dbraw/zinc/98/53/00/824985300.db2.gz CPOCHWBEEZZRRC-IUCAKERBSA-N 2 0 261.391 -0.311 20 0 CBADRP CC1(C)C[C@H](CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)O1 ZINC001220200885 824985710 /nfs/dbraw/zinc/98/57/10/824985710.db2.gz YHVRGPCIENLITE-MNOVXSKESA-N 2 0 255.362 -0.003 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220203172 824985858 /nfs/dbraw/zinc/98/58/58/824985858.db2.gz YGWOZZRKGOLJQV-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@@H]2CC[NH2+]2)CC1 ZINC001220200688 824986620 /nfs/dbraw/zinc/98/66/20/824986620.db2.gz RHKXDVBSTPDAHM-LBPRGKRZSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220221160 824989001 /nfs/dbraw/zinc/98/90/01/824989001.db2.gz SQLAOSTTZHUSAK-AVGNSLFASA-N 2 0 296.415 -0.694 20 0 CBADRP CC1(C)C[C@H](NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCO1 ZINC001220219208 824989257 /nfs/dbraw/zinc/98/92/57/824989257.db2.gz TXYRGSCETSIGOU-MNOVXSKESA-N 2 0 267.373 -0.131 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220221022 824989448 /nfs/dbraw/zinc/98/94/48/824989448.db2.gz OAHYIIWSXBPNCG-PWNZVWSESA-N 2 0 280.416 -0.073 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220237712 824990363 /nfs/dbraw/zinc/99/03/63/824990363.db2.gz BSUBFOAENMEGTR-MCIONIFRSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220237713 824990575 /nfs/dbraw/zinc/99/05/75/824990575.db2.gz BSUBFOAENMEGTR-MJBXVCDLSA-N 2 0 299.415 -0.474 20 0 CBADRP CCOC(CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)OCC ZINC001220231168 824990712 /nfs/dbraw/zinc/99/07/12/824990712.db2.gz WZALSVPYYBOALT-NSHDSACASA-N 2 0 285.388 -0.299 20 0 CBADRP COCCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229140 824991026 /nfs/dbraw/zinc/99/10/26/824991026.db2.gz OYGCOJNMAGLJCF-OLZOCXBDSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@@H]1CC(=O)N(C)C1 ZINC001220245103 824992415 /nfs/dbraw/zinc/99/24/15/824992415.db2.gz GADDDEOZIYJSQM-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCc1nc[nH]n1 ZINC001220249933 824994204 /nfs/dbraw/zinc/99/42/04/824994204.db2.gz HUWJGQFQDAZLHB-VIFPVBQESA-N 2 0 254.338 -0.520 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)NCC[C@H]1CCC[N@H+]1C ZINC001220251678 824994424 /nfs/dbraw/zinc/99/44/24/824994424.db2.gz BMHZYOVLNXPQJL-MNOVXSKESA-N 2 0 257.334 -0.523 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220254711 824995624 /nfs/dbraw/zinc/99/56/24/824995624.db2.gz VBPDPHKJUAZLQT-FZMZJTMJSA-N 2 0 268.405 -0.358 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220251804 824995744 /nfs/dbraw/zinc/99/57/44/824995744.db2.gz FYTNKMJKHXIOCQ-STQMWFEESA-N 3 0 268.405 -0.086 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220252023 824996345 /nfs/dbraw/zinc/99/63/45/824996345.db2.gz LUJJLOLOERRUMP-NWDGAFQWSA-N 3 0 266.389 -0.604 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N(CC[NH3+])c1cccnc1 ZINC001220261225 824997401 /nfs/dbraw/zinc/99/74/01/824997401.db2.gz VBMGQWMCGOXAGC-NSHDSACASA-N 3 0 251.334 -0.561 20 0 CBADRP O=C(N[C@H]1CCc2n[nH]cc2C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220260730 824998203 /nfs/dbraw/zinc/99/82/03/824998203.db2.gz FOHMFKUAFHPRQY-QWRGUYRKSA-N 2 0 275.356 -0.808 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N(CC[NH3+])c1cccnc1 ZINC001220261224 824998302 /nfs/dbraw/zinc/99/83/02/824998302.db2.gz VBMGQWMCGOXAGC-LLVKDONJSA-N 3 0 251.334 -0.561 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC001220261203 824998614 /nfs/dbraw/zinc/99/86/14/824998614.db2.gz UMAAXULIWVFDME-ZJUUUORDSA-N 2 0 251.334 -0.551 20 0 CBADRP O=C(N[C@H]1CCc2n[nH]cc2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220261248 824999471 /nfs/dbraw/zinc/99/94/71/824999471.db2.gz VWAWIJMTXOIKPT-TYNCELHUSA-N 2 0 289.383 -0.418 20 0 CBADRP [NH3+]CCN(C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1cccnc1 ZINC001220261280 824999529 /nfs/dbraw/zinc/99/95/29/824999529.db2.gz WWHXTLRNSQMDKM-GFCCVEGCSA-N 3 0 275.356 -0.818 20 0 CBADRP [NH3+][C@@H](C(=O)N[C@@H]1CCc2n[nH]cc2C1)C1CC[NH2+]CC1 ZINC001220261237 825000118 /nfs/dbraw/zinc/00/01/18/825000118.db2.gz VMRPPYQFIIAMIX-DGCLKSJQSA-N 2 0 277.372 -0.290 20 0 CBADRP COCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273338 825001671 /nfs/dbraw/zinc/00/16/71/825001671.db2.gz ICMZYMMGZHTMCO-NEPJUHHUSA-N 2 0 273.377 -0.864 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220276508 825003635 /nfs/dbraw/zinc/00/36/35/825003635.db2.gz CUHIAOKAMZRULM-XQQFMLRXSA-N 2 0 285.388 -0.864 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001220276874 825004140 /nfs/dbraw/zinc/00/41/40/825004140.db2.gz MBOLENDQPPZHFN-KGLIPLIRSA-N 2 0 299.415 -0.332 20 0 CBADRP O=C(NCCc1cn2ccccc2n1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220278544 825006087 /nfs/dbraw/zinc/00/60/87/825006087.db2.gz WOVYBEROFYMIEH-CYBMUJFWSA-N 2 0 299.378 -0.198 20 0 CBADRP O=C(NCc1cccc2n[nH]cc21)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220308499 825011421 /nfs/dbraw/zinc/01/14/21/825011421.db2.gz LJQNQMCCIQHIBR-LBPRGKRZSA-N 2 0 285.351 -0.012 20 0 CBADRP N[C@@]1(C(=O)NCc2ncn3c2C[NH2+]CCC3)CCC[NH2+]C1 ZINC001220310423 825011486 /nfs/dbraw/zinc/01/14/86/825011486.db2.gz AHICDWRNJDKBRE-AWEZNQCLSA-N 2 0 292.387 -0.927 20 0 CBADRP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@@H]1CC[NH2+]C[C@H]1F ZINC001220313889 825011531 /nfs/dbraw/zinc/01/15/31/825011531.db2.gz YJAKSCLQKMGCMX-GHMZBOCLSA-N 2 0 295.362 -0.060 20 0 CBADRP C[C@@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1cnn(C)c1 ZINC001220309010 825012037 /nfs/dbraw/zinc/01/20/37/825012037.db2.gz SHOPDJMQQHWQQV-SCZZXKLOSA-N 2 0 271.390 -0.384 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316891 825013358 /nfs/dbraw/zinc/01/33/58/825013358.db2.gz UMJBYDSKNMAEMN-MBNYWOFBSA-N 2 0 293.371 -0.693 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220317511 825013404 /nfs/dbraw/zinc/01/34/04/825013404.db2.gz ZFQJOOZUJYULFX-YDHLFZDLSA-N 3 0 298.431 -0.269 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220319449 825013730 /nfs/dbraw/zinc/01/37/30/825013730.db2.gz GNMFIMVSFGZIRS-GUTXKFCHSA-N 3 0 298.431 -0.140 20 0 CBADRP O=C(N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001220317041 825013745 /nfs/dbraw/zinc/01/37/45/825013745.db2.gz VDJHLCKLPVCXCX-VXUPGSCNSA-N 2 0 265.357 -0.521 20 0 CBADRP NC1(C(=O)N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]CC1 ZINC001220321448 825014810 /nfs/dbraw/zinc/01/48/10/825014810.db2.gz UFCXUUUQWYEQAW-DGCLKSJQSA-N 2 0 282.388 -0.905 20 0 CBADRP NC1(C(=O)N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)CC[NH2+]CC1 ZINC001220321450 825015496 /nfs/dbraw/zinc/01/54/96/825015496.db2.gz UFCXUUUQWYEQAW-YPMHNXCESA-N 2 0 282.388 -0.905 20 0 CBADRP O=C(N[C@@H]1CC12CCOCC2)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220329403 825016824 /nfs/dbraw/zinc/01/68/24/825016824.db2.gz ONEIGRIMJGLPLK-WDEREUQCSA-N 2 0 265.357 -0.519 20 0 CBADRP COCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001220355396 825019491 /nfs/dbraw/zinc/01/94/91/825019491.db2.gz OFJCDCZMBZYBND-MJBXVCDLSA-N 2 0 299.415 -0.474 20 0 CBADRP COCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001220352244 825019747 /nfs/dbraw/zinc/01/97/47/825019747.db2.gz ZWWROBAOFIDKQY-MCIONIFRSA-N 2 0 299.415 -0.332 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1ccc(Cl)nn1 ZINC001220369383 825021077 /nfs/dbraw/zinc/02/10/77/825021077.db2.gz VSBHPIDDHNOZPE-QMMMGPOBSA-N 2 0 257.725 -0.188 20 0 CBADRP C[C@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)c1cnccn1 ZINC001220371603 825021765 /nfs/dbraw/zinc/02/17/65/825021765.db2.gz XFNOFCUXBVABMR-CMPLNLGQSA-N 2 0 292.387 -0.596 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N1CCCc2ccc(C[NH3+])nc21 ZINC001220377053 825023861 /nfs/dbraw/zinc/02/38/61/825023861.db2.gz ISGCWRUVBFINIR-NSHDSACASA-N 2 0 263.345 -0.504 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCCc2ccc(C[NH3+])nc21 ZINC001220376970 825023407 /nfs/dbraw/zinc/02/34/07/825023407.db2.gz FZVOUBGJAUVUAG-LBPRGKRZSA-N 3 0 277.372 -0.114 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1ncccc1O ZINC001220390300 825026447 /nfs/dbraw/zinc/02/64/47/825026447.db2.gz XDZPYDAWEXUBIZ-NSHDSACASA-N 2 0 293.371 -0.846 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)NCC12CC[NH+](CC1)CC2 ZINC001220395070 825027889 /nfs/dbraw/zinc/02/78/89/825027889.db2.gz UNHFPPIVEGIWAE-UHFFFAOYSA-N 2 0 280.416 -0.070 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394488 825028509 /nfs/dbraw/zinc/02/85/09/825028509.db2.gz IWRWLOBRAYSERS-LLVKDONJSA-N 3 0 254.378 -0.345 20 0 CBADRP O=C(NCC12CC[NH+](CC1)CC2)[C@@H]1C[NH2+]CCN1 ZINC001220394311 825028805 /nfs/dbraw/zinc/02/88/05/825028805.db2.gz DTNUUHGZVXGNIQ-NSHDSACASA-N 2 0 252.362 -0.850 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)NCC23CC[NH+](CC2)CC3)C1 ZINC001220394298 825029014 /nfs/dbraw/zinc/02/90/14/825029014.db2.gz DHWFWPPPRINTET-MNOVXSKESA-N 2 0 252.362 -0.722 20 0 CBADRP COC(=O)[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001220406549 825032716 /nfs/dbraw/zinc/03/27/16/825032716.db2.gz SPZQTZUFOSDNHE-DCAQKATOSA-N 2 0 271.361 -0.099 20 0 CBADRP COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001220406551 825032930 /nfs/dbraw/zinc/03/29/30/825032930.db2.gz SPZQTZUFOSDNHE-VWYCJHECSA-N 2 0 271.361 -0.099 20 0 CBADRP [NH3+][C@H](Cc1cccc(O)c1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220429712 825036043 /nfs/dbraw/zinc/03/60/43/825036043.db2.gz XVLAZFMZKCGIPZ-WCQYABFASA-N 2 0 279.340 -0.633 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001220429578 825036436 /nfs/dbraw/zinc/03/64/36/825036436.db2.gz VBUDYZKZBCCBSH-MJBXVCDLSA-N 2 0 296.415 -0.835 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001220429575 825037557 /nfs/dbraw/zinc/03/75/57/825037557.db2.gz VBUDYZKZBCCBSH-BFHYXJOUSA-N 2 0 296.415 -0.835 20 0 CBADRP O=C(NC1CCN(CCF)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220436420 825040248 /nfs/dbraw/zinc/04/02/48/825040248.db2.gz VYCILFHGHYINMB-IUODEOHRSA-N 3 0 298.406 -0.264 20 0 CBADRP O=C(NC[C@@H](O)C1CCCCC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220466317 825045168 /nfs/dbraw/zinc/04/51/68/825045168.db2.gz ATMYVNQLWMUAIA-CHWSQXEVSA-N 2 0 281.400 -0.147 20 0 CBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2CC[NH2+]2)O1 ZINC001220481214 825045919 /nfs/dbraw/zinc/04/59/19/825045919.db2.gz AABTXGJEKBSKHL-XNDJQWLSSA-N 2 0 257.334 -0.811 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1([NH3+])CCCC1 ZINC001220496335 825050251 /nfs/dbraw/zinc/05/02/51/825050251.db2.gz AGSRTJRADGSVGW-GHMZBOCLSA-N 2 0 283.372 -0.227 20 0 CBADRP [NH3+]C1(CNC(=O)[C@]23C[NH2+]C[C@H]2CCN3)CCCC1 ZINC001220494546 825050441 /nfs/dbraw/zinc/05/04/41/825050441.db2.gz MVFVKHGWNXIONB-MFKMUULPSA-N 2 0 252.362 -0.674 20 0 CBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC001220494283 825050295 /nfs/dbraw/zinc/05/02/95/825050295.db2.gz JBLIPAGTTSROPR-SECBINFHSA-N 2 0 271.365 -0.850 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220502039 825050912 /nfs/dbraw/zinc/05/09/12/825050912.db2.gz XVNKVDHNORQSCQ-VXGBXAGGSA-N 3 0 250.346 -0.131 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220501673 825052517 /nfs/dbraw/zinc/05/25/17/825052517.db2.gz SXIZEINBQQDFPV-NEPJUHHUSA-N 2 0 265.313 -0.307 20 0 CBADRP CN(CC[NH3+])CCNC(=O)[C@H]1CC[C@@H](C(F)(F)F)C[NH2+]1 ZINC001220516357 825053124 /nfs/dbraw/zinc/05/31/24/825053124.db2.gz UHAWWQPUYBIYJL-NXEZZACHSA-N 2 0 296.337 -0.076 20 0 CBADRP CN(CC[NH3+])CCNC(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001220515623 825053863 /nfs/dbraw/zinc/05/38/63/825053863.db2.gz HUKXHJPIKNVKCJ-ZFWWWQNUSA-N 2 0 298.431 -0.458 20 0 CBADRP CN(CC[NH3+])CCNC(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001220515621 825054105 /nfs/dbraw/zinc/05/41/05/825054105.db2.gz HUKXHJPIKNVKCJ-HIFRSBDPSA-N 2 0 298.431 -0.458 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCCOCCOCC[NH3+])C1 ZINC001220519457 825054902 /nfs/dbraw/zinc/05/49/02/825054902.db2.gz OTQZFHXYONKBGC-NEPJUHHUSA-N 2 0 273.377 -0.517 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCCN1CC2(COC2)C1 ZINC001220571004 825062963 /nfs/dbraw/zinc/06/29/63/825062963.db2.gz GIBGWKOTQCTCBD-ZDUSSCGKSA-N 2 0 298.431 -0.506 20 0 CBADRP C[C@@H]1COCC[C@@H]1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220566117 825063298 /nfs/dbraw/zinc/06/32/98/825063298.db2.gz ZSTBJXRFJWYEMB-ADEWGFFLSA-N 2 0 255.362 -0.146 20 0 CBADRP C[C@@H]1COCC[C@H]1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220565222 825064123 /nfs/dbraw/zinc/06/41/23/825064123.db2.gz KWPBGFVSEPNVCS-KGYLQXTDSA-N 2 0 284.404 -0.722 20 0 CBADRP C[C@H]1COCC[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220565634 825064611 /nfs/dbraw/zinc/06/46/11/825064611.db2.gz OPJQLNYNRCXOBY-FMCLSXCISA-N 2 0 267.373 -0.273 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC001220582972 825070382 /nfs/dbraw/zinc/07/03/82/825070382.db2.gz ALCOAMUJDAYYBI-WDEREUQCSA-N 2 0 271.361 -0.275 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001220585782 825071463 /nfs/dbraw/zinc/07/14/63/825071463.db2.gz YEPSIBUXHDXGTG-UWVGGRQHSA-N 2 0 275.324 -0.716 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001220585784 825071807 /nfs/dbraw/zinc/07/18/07/825071807.db2.gz YEPSIBUXHDXGTG-ZJUUUORDSA-N 2 0 275.324 -0.716 20 0 CBADRP COC(=O)[C@H](NC(=O)[C@H]([NH3+])CCC[NH3+])C(F)(F)F ZINC001220588565 825072042 /nfs/dbraw/zinc/07/20/42/825072042.db2.gz VAESVSBLYDAFDN-RITPCOANSA-N 2 0 271.239 -0.727 20 0 CBADRP CC(=O)N1CC(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001220596803 825074087 /nfs/dbraw/zinc/07/40/87/825074087.db2.gz IMQRFQZREIVXRU-LBPRGKRZSA-N 2 0 280.372 -0.793 20 0 CBADRP CN1CCC[C@H](NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C1=O ZINC001220590313 825074209 /nfs/dbraw/zinc/07/42/09/825074209.db2.gz LENCSWVGSHMACJ-QWRGUYRKSA-N 2 0 270.377 -0.430 20 0 CBADRP C[C@@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1ncc(F)cn1 ZINC001220598831 825076465 /nfs/dbraw/zinc/07/64/65/825076465.db2.gz FATHQXQICUVAAP-PSASIEDQSA-N 2 0 279.319 -0.398 20 0 CBADRP CCOC(=O)[C@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)[C@@H](C)CC ZINC001220665768 825082316 /nfs/dbraw/zinc/08/23/16/825082316.db2.gz KNQVLDDNCSZGSB-QJPTWQEYSA-N 2 0 297.399 -0.111 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC)C[C@@H]1O ZINC001220680911 825083785 /nfs/dbraw/zinc/08/37/85/825083785.db2.gz AKDYZTHWNIHKSV-NEPJUHHUSA-N 2 0 273.377 -0.864 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220680777 825083460 /nfs/dbraw/zinc/08/34/60/825083460.db2.gz QPDFIAFHIYRYIC-LOWDOPEQSA-N 2 0 294.399 -0.275 20 0 CBADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220681114 825084016 /nfs/dbraw/zinc/08/40/16/825084016.db2.gz VYPSPBHSSSGJDI-DHRKEOQWSA-N 2 0 278.400 -0.274 20 0 CBADRP CS(=O)(=O)c1ccccc1CNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220684014 825084083 /nfs/dbraw/zinc/08/40/83/825084083.db2.gz VQILHSCARCMRHG-NSHDSACASA-N 2 0 299.396 -0.228 20 0 CBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220678859 825085220 /nfs/dbraw/zinc/08/52/20/825085220.db2.gz OHORSJNHAQUBKI-NOOOWODRSA-N 2 0 297.403 -0.449 20 0 CBADRP Nc1ncc(CCNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)s1 ZINC001220704907 825089152 /nfs/dbraw/zinc/08/91/52/825089152.db2.gz XWMBCJGCMKTOTA-JTQLQIEISA-N 2 0 283.401 -0.289 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCC1Oc2ccccc2O1 ZINC001220708710 825090280 /nfs/dbraw/zinc/09/02/80/825090280.db2.gz DZFHFAMQIFBUQP-VIFPVBQESA-N 2 0 265.313 -0.034 20 0 CBADRP C[C@@](CO)(NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1ccccc1 ZINC001220710994 825091846 /nfs/dbraw/zinc/09/18/46/825091846.db2.gz HXAHNUKAEZSIBR-HIFRSBDPSA-N 2 0 289.379 -0.181 20 0 CBADRP [NH3+]Cc1ncccc1NC(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220711693 825092325 /nfs/dbraw/zinc/09/23/25/825092325.db2.gz RBOCTTXKDJAHDY-RNCFNFMXSA-N 2 0 261.329 -0.570 20 0 CBADRP C[C@](CO)(NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1ccccc1 ZINC001220710995 825092478 /nfs/dbraw/zinc/09/24/78/825092478.db2.gz HXAHNUKAEZSIBR-UKRRQHHQSA-N 2 0 289.379 -0.181 20 0 CBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1C[C@H](O)C[NH2+]1)C2 ZINC001220716722 825093041 /nfs/dbraw/zinc/09/30/41/825093041.db2.gz PHJNNXNBEAJUQF-WJTVCTBASA-N 2 0 267.373 -0.159 20 0 CBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1O)C2 ZINC001220716827 825093727 /nfs/dbraw/zinc/09/37/27/825093727.db2.gz SGYWAQSNOWUJBT-UJPOAAIJSA-N 2 0 267.373 -0.302 20 0 CBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1[NH2+]CC[C@H]1O)C2 ZINC001220716636 825093834 /nfs/dbraw/zinc/09/38/34/825093834.db2.gz MONFITBHILHZIV-LBELIVKGSA-N 2 0 267.373 -0.159 20 0 CBADRP O=C(NC1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220743472 825094864 /nfs/dbraw/zinc/09/48/64/825094864.db2.gz DLKSGWIMDJCUAM-ZIAGYGMSSA-N 2 0 290.367 -0.111 20 0 CBADRP O=C(NC1CCN(c2cc[nH+]cc2)CC1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220746351 825095150 /nfs/dbraw/zinc/09/51/50/825095150.db2.gz XDKBLEUTBVARCQ-KBPBESRZSA-N 2 0 290.367 -0.111 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)NC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001220743880 825095440 /nfs/dbraw/zinc/09/54/40/825095440.db2.gz UCIBZACUIPBHIM-RISCZKNCSA-N 2 0 289.383 -0.144 20 0 CBADRP COC(CCCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)OC ZINC001220741062 825095713 /nfs/dbraw/zinc/09/57/13/825095713.db2.gz CUXFRAWDCWJDIA-JTQLQIEISA-N 2 0 271.361 -0.689 20 0 CBADRP CC(=O)NCCCCCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220758937 825098062 /nfs/dbraw/zinc/09/80/62/825098062.db2.gz NCWPVJOFRVKZQH-CYBMUJFWSA-N 2 0 284.404 -0.264 20 0 CBADRP CC1(C)[C@@H](O)C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220766054 825098612 /nfs/dbraw/zinc/09/86/12/825098612.db2.gz KXSPAIJMKFHESB-YAMSLAJTSA-N 2 0 267.373 -0.539 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H]1C[C@@H](O)C1(C)C ZINC001220766246 825099697 /nfs/dbraw/zinc/09/96/97/825099697.db2.gz OMZJETCOJOQQSL-HBNTYKKESA-N 2 0 257.378 -0.021 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)(C1)CCC2 ZINC001220777679 825100975 /nfs/dbraw/zinc/10/09/75/825100975.db2.gz ZNEBMDKZFNEILI-ZZVJUGKHSA-N 2 0 278.400 -0.143 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@H]3C[NH2+]CCO3)(C1)CCC2 ZINC001220775217 825101065 /nfs/dbraw/zinc/10/10/65/825101065.db2.gz NHQIJCUVKWLGLJ-KGYLQXTDSA-N 2 0 253.346 -0.105 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)CN3CC[NH2+]CC3)(C1)CCC2 ZINC001220777043 825101072 /nfs/dbraw/zinc/10/10/72/825101072.db2.gz DBCSNAKRSUFAFB-UONOGXRCSA-N 2 0 266.389 -0.188 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220790375 825102479 /nfs/dbraw/zinc/10/24/79/825102479.db2.gz QZBHGMJRTLCCGD-XUXIUFHCSA-N 2 0 290.367 -0.429 20 0 CBADRP NC1(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)CC[NH2+]CC1 ZINC001220803492 825104149 /nfs/dbraw/zinc/10/41/49/825104149.db2.gz HSRQOLWPMGLWQM-DTWKUNHWSA-N 2 0 294.321 -0.276 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)C[NH2+]C1 ZINC001220827229 825107479 /nfs/dbraw/zinc/10/74/79/825107479.db2.gz KJEOEGIVXDGVDC-QMTHXVAHSA-N 2 0 279.340 -0.477 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C[C@@]2(C)CC[NH2+]C2)C[NH2+]C1 ZINC001220826918 825107615 /nfs/dbraw/zinc/10/76/15/825107615.db2.gz BSMUGOSUTAXVDD-CQSZACIVSA-N 2 0 281.356 -0.087 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C2CC3(C[NH2+]C3)C2)C[NH2+]C1 ZINC001220828124 825107991 /nfs/dbraw/zinc/10/79/91/825107991.db2.gz IEDRTOOTZQRMMN-UHFFFAOYSA-N 2 0 279.340 -0.477 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C2CC[NH2+]CC2)C[NH2+]C1 ZINC001220827895 825108417 /nfs/dbraw/zinc/10/84/17/825108417.db2.gz BZAWJIRFCWFJHV-UHFFFAOYSA-N 2 0 267.329 -0.477 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)COC)C[C@@H]1O ZINC001220830562 825109805 /nfs/dbraw/zinc/10/98/05/825109805.db2.gz BZFRNUWDUJDPRO-XQQFMLRXSA-N 2 0 287.404 -0.476 20 0 CBADRP CCOC(=O)[C@H](C)CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220848781 825110901 /nfs/dbraw/zinc/11/09/01/825110901.db2.gz IVSBRWAMHHVRAH-MWLCHTKSSA-N 2 0 271.361 -0.371 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@H]2CCCC[NH2+]C2)C[NH2+]C1 ZINC001220850932 825111649 /nfs/dbraw/zinc/11/16/49/825111649.db2.gz ATVIHXALBLOWLK-JTQLQIEISA-N 2 0 269.345 -0.603 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@H]([NH3+])c2ccccc2)C[NH2+]C1 ZINC001220851337 825112160 /nfs/dbraw/zinc/11/21/60/825112160.db2.gz REDNPYZDZXQQSK-LLVKDONJSA-N 2 0 277.324 -0.292 20 0 CBADRP O=C(NCCO[C@@H]1CCCCO1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220861870 825113672 /nfs/dbraw/zinc/11/36/72/825113672.db2.gz HMCJIPJQECITQL-UMVBOHGHSA-N 2 0 297.399 -0.155 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH3+] ZINC001220855406 825113683 /nfs/dbraw/zinc/11/36/83/825113683.db2.gz XCAIQHLELAWWSV-HXPMCKFVSA-N 2 0 283.397 -0.143 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220859725 825114021 /nfs/dbraw/zinc/11/40/21/825114021.db2.gz KTGBCOWRLINKDQ-UWVGGRQHSA-N 2 0 270.377 -0.574 20 0 CBADRP O=C(NCCO[C@@H]1CCCCO1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220862241 825114872 /nfs/dbraw/zinc/11/48/72/825114872.db2.gz UPULZBXAPMZPLN-NWDGAFQWSA-N 2 0 283.372 -0.545 20 0 CBADRP O=C(NCCO[C@H]1CCCCO1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220862240 825115056 /nfs/dbraw/zinc/11/50/56/825115056.db2.gz UPULZBXAPMZPLN-NEPJUHHUSA-N 2 0 283.372 -0.545 20 0 CBADRP O=C(NCCc1c[nH]c2cc[nH+]cc12)[C@@H]1C[NH2+]CCN1 ZINC001220866511 825115067 /nfs/dbraw/zinc/11/50/67/825115067.db2.gz ZTZJTFOYHIDYHQ-ZDUSSCGKSA-N 2 0 273.340 -0.217 20 0 CBADRP CCC[C@@H](CCO)NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220870230 825116979 /nfs/dbraw/zinc/11/69/79/825116979.db2.gz JVQVYVKXQRTABY-NWDGAFQWSA-N 2 0 257.378 -0.019 20 0 CBADRP COC(=O)[C@H]1C[C@@H]1CNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220881540 825118559 /nfs/dbraw/zinc/11/85/59/825118559.db2.gz MGUJRMDZIDSQAA-WOPDTQHZSA-N 2 0 285.388 -0.029 20 0 CBADRP COC(=O)[C@H]1C[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220881576 825118964 /nfs/dbraw/zinc/11/89/64/825118964.db2.gz NBJRMSCMKSBTJO-NJBDSQKTSA-N 2 0 281.356 -0.889 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1 ZINC001220884510 825119416 /nfs/dbraw/zinc/11/94/16/825119416.db2.gz FQKNOSQJAUJYAC-WHOHXGKFSA-N 2 0 253.346 -0.378 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1C[NH2+]CC12CCOCC2 ZINC001220884913 825119850 /nfs/dbraw/zinc/11/98/50/825119850.db2.gz RIBAJIIKHSIOTB-RYUDHWBXSA-N 2 0 267.373 -0.129 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220884689 825119917 /nfs/dbraw/zinc/11/99/17/825119917.db2.gz KXCKJLMJMZILNK-NEPJUHHUSA-N 3 0 256.394 -0.086 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1C[NH2+]Cc2ccnn2C1 ZINC001220882607 825119951 /nfs/dbraw/zinc/11/99/51/825119951.db2.gz XFJAEKACNXZSPP-WDEREUQCSA-N 2 0 263.345 -0.529 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1C[NH2+]CC12CCOCC2 ZINC001220884912 825120198 /nfs/dbraw/zinc/12/01/98/825120198.db2.gz RIBAJIIKHSIOTB-NWDGAFQWSA-N 2 0 267.373 -0.129 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001220884757 825120254 /nfs/dbraw/zinc/12/02/54/825120254.db2.gz MIMXPZKVMRUNKQ-FIQHERPVSA-N 2 0 253.346 -0.378 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@H]1C[C@H]1C(=O)OC ZINC001220881930 825120332 /nfs/dbraw/zinc/12/03/32/825120332.db2.gz QCQYGIJLBSAIGC-MXWKQRLJSA-N 2 0 271.361 -0.371 20 0 CBADRP C[NH2+][C@H]1CCCN(CC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC001220890472 825120965 /nfs/dbraw/zinc/12/09/65/825120965.db2.gz XHGUSAXXZZPMBG-NEPJUHHUSA-N 2 0 254.378 -0.462 20 0 CBADRP C[NH2+][C@@H]1CCCN(CC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC001220890475 825120969 /nfs/dbraw/zinc/12/09/69/825120969.db2.gz XHGUSAXXZZPMBG-VXGBXAGGSA-N 2 0 254.378 -0.462 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001220890164 825120986 /nfs/dbraw/zinc/12/09/86/825120986.db2.gz UOMBEMSARBDBFP-KBPBESRZSA-N 2 0 280.416 -0.072 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220886943 825121045 /nfs/dbraw/zinc/12/10/45/825121045.db2.gz QFLCVCAXVSGFPG-MNOVXSKESA-N 2 0 270.377 -0.656 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001220892978 825121120 /nfs/dbraw/zinc/12/11/20/825121120.db2.gz OKNCWOHDKQFZPU-LLVKDONJSA-N 2 0 290.371 -0.632 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1C[NH2+]C[C@H]2CCO[C@@H]21 ZINC001220890500 825121206 /nfs/dbraw/zinc/12/12/06/825121206.db2.gz XUYWWTGYWQVRST-KKOKHZNYSA-N 2 0 253.346 -0.521 20 0 CBADRP CC(C)(C)[N@@H+]1CCN[C@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC001220889222 825121391 /nfs/dbraw/zinc/12/13/91/825121391.db2.gz GDDBFMGWGMCVHN-RYUDHWBXSA-N 2 0 268.405 -0.073 20 0 CBADRP COC(=O)C[C@@H](NC(=O)[C@H]([NH3+])CCC[NH3+])c1ccccn1 ZINC001220901248 825122612 /nfs/dbraw/zinc/12/26/12/825122612.db2.gz VEESRPXOYKQUFF-ZYHUDNBSSA-N 2 0 294.355 -0.132 20 0 CBADRP COC(=O)C[C@@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])c1ccccn1 ZINC001220901245 825122808 /nfs/dbraw/zinc/12/28/08/825122808.db2.gz VEESRPXOYKQUFF-CMPLNLGQSA-N 2 0 294.355 -0.132 20 0 CBADRP CCC(=O)N1CC[C@H](NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001220907393 825122935 /nfs/dbraw/zinc/12/29/35/825122935.db2.gz PNTAIOHHXGEQAG-RYUDHWBXSA-N 2 0 284.404 -0.040 20 0 CBADRP [NH3+]CCN(CCNC(=O)CC1CC[NH2+]CC1)N(O)N=O ZINC001220900133 825122969 /nfs/dbraw/zinc/12/29/69/825122969.db2.gz BKNGMGDNWBPFES-UHFFFAOYSA-N 2 0 288.352 -0.959 20 0 CBADRP [NH3+][C@H]1CC[C@H](N(C(=O)C[C@H]2COCC[NH2+]2)C2COC2)CC1 ZINC001220930690 825123376 /nfs/dbraw/zinc/12/33/76/825123376.db2.gz TXMPWTUPRBMJJC-AVGNSLFASA-N 2 0 297.399 -0.138 20 0 CBADRP CC(C)(C)C(=O)C[NH+]1CCC(NC(=O)CNCC[NH3+])CC1 ZINC001220909599 825123663 /nfs/dbraw/zinc/12/36/63/825123663.db2.gz WXIPQXILYIVKBS-UHFFFAOYSA-N 2 0 298.431 -0.270 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930026 825124683 /nfs/dbraw/zinc/12/46/83/825124683.db2.gz KLAOXBZDAHTTIK-NQBHXWOUSA-N 3 0 284.404 -0.450 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(Cc2cccnc2)C1 ZINC001220914876 825124768 /nfs/dbraw/zinc/12/47/68/825124768.db2.gz DJKXTPQHVQEWBH-UONOGXRCSA-N 2 0 291.399 -0.162 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCO[C@H]2CC[NH2+]C2)C1 ZINC001220936271 825125563 /nfs/dbraw/zinc/12/55/63/825125563.db2.gz DUNWWCMSAKICAO-GRYCIOLGSA-N 2 0 255.362 -0.131 20 0 CBADRP Cc1noc(C2(NC(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)CC2)n1 ZINC001220932594 825126251 /nfs/dbraw/zinc/12/62/51/825126251.db2.gz ONGQYIFBIHJJAO-JTQLQIEISA-N 2 0 279.344 -0.190 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220941033 825127863 /nfs/dbraw/zinc/12/78/63/825127863.db2.gz KVRXWWWVCOLBNF-SRVKXCTJSA-N 2 0 292.387 -0.244 20 0 CBADRP N=c1ncc(C[NH3+])cn1C(=O)c1ccccc1C[NH3+] ZINC001220950919 825128480 /nfs/dbraw/zinc/12/84/80/825128480.db2.gz KNRZALSIDPQLPG-UHFFFAOYSA-N 2 0 257.297 -0.032 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1nnc(C)o1 ZINC001221010278 825135774 /nfs/dbraw/zinc/13/57/74/825135774.db2.gz DKUWYXCURKCSHZ-VIFPVBQESA-N 2 0 255.322 -0.289 20 0 CBADRP O=C(NCc1cn(CC2CC2)cn1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221024144 825138249 /nfs/dbraw/zinc/13/82/49/825138249.db2.gz ZKVHLDGPPPBFRS-CYBMUJFWSA-N 2 0 289.383 -0.282 20 0 CBADRP [NH3+]CCN(C(=O)[C@@H]1C[NH2+]CCN1)c1ccc(F)cc1 ZINC001221061062 825139684 /nfs/dbraw/zinc/13/96/84/825139684.db2.gz YTOPIIKYTMOXGY-LBPRGKRZSA-N 2 0 266.320 -0.321 20 0 CBADRP O=C(N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC001221056059 825139979 /nfs/dbraw/zinc/13/99/79/825139979.db2.gz CPWBTQGJFGSQND-XUXIUFHCSA-N 2 0 297.399 -0.674 20 0 CBADRP [NH3+]CCN(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1ccc(F)cc1 ZINC001221060441 825140549 /nfs/dbraw/zinc/14/05/49/825140549.db2.gz ABQBZOZWQHCTNX-ZDUSSCGKSA-N 3 0 292.358 -0.074 20 0 CBADRP COC(=O)c1ccc(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)[nH]1 ZINC001221079561 825141685 /nfs/dbraw/zinc/14/16/85/825141685.db2.gz FGELMVAUVGNRMU-JTQLQIEISA-N 2 0 292.339 -0.774 20 0 CBADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001221073169 825142222 /nfs/dbraw/zinc/14/22/22/825142222.db2.gz JINDILSRCIFSEC-OLZOCXBDSA-N 2 0 285.388 -0.984 20 0 CBADRP O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@H]1C[NH2+]CCN1 ZINC001221124190 825145491 /nfs/dbraw/zinc/14/54/91/825145491.db2.gz ZEGDGQHSFBWZPE-CYBMUJFWSA-N 2 0 289.383 -0.662 20 0 CBADRP O=C(NCc1ccnn1CCF)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221106149 825145537 /nfs/dbraw/zinc/14/55/37/825145537.db2.gz NVVHPWHXRAZALW-LLVKDONJSA-N 2 0 281.335 -0.722 20 0 CBADRP N[C@@H](C[NH3+])C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221114246 825145555 /nfs/dbraw/zinc/14/55/55/825145555.db2.gz SGZAKHNJOUUBOW-NSHDSACASA-N 2 0 277.372 -0.895 20 0 CBADRP O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@H]1[NH2+]CC[C@H]1O ZINC001221123692 825145560 /nfs/dbraw/zinc/14/55/60/825145560.db2.gz GKWKSHBRXATXMR-OLZOCXBDSA-N 2 0 290.367 -0.501 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)CC1 ZINC001221134174 825146379 /nfs/dbraw/zinc/14/63/79/825146379.db2.gz OHNPCGUDALKMKG-MNOVXSKESA-N 2 0 270.377 -0.968 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001221134100 825147057 /nfs/dbraw/zinc/14/70/57/825147057.db2.gz KZZCVYHSFHHKIM-IUODEOHRSA-N 2 0 296.415 -0.706 20 0 CBADRP Cc1cccc([C@@H](CO)NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001221192551 825153014 /nfs/dbraw/zinc/15/30/14/825153014.db2.gz XBDYQEYCAJXOLK-ZIAGYGMSSA-N 2 0 289.379 -0.046 20 0 CBADRP CC(C)(C)[NH+]1CC(NC(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC001221194256 825153280 /nfs/dbraw/zinc/15/32/80/825153280.db2.gz OJPZEGWOHVMOTD-LBPRGKRZSA-N 2 0 296.415 -0.075 20 0 CBADRP CCCC[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(N)=O ZINC001221234944 825157128 /nfs/dbraw/zinc/15/71/28/825157128.db2.gz OUSMEDPMHNCTPN-UWVGGRQHSA-N 2 0 258.366 -0.397 20 0 CBADRP CCCC[C@H](NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C(N)=O ZINC001221234903 825157401 /nfs/dbraw/zinc/15/74/01/825157401.db2.gz NJOHIIYBCWPDKT-WDEREUQCSA-N 2 0 270.377 -0.526 20 0 CBADRP C[N@@H+]1CCC[C@](C)(NC(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC001221241113 825158622 /nfs/dbraw/zinc/15/86/22/825158622.db2.gz OGIPMIOMROYORU-WFASDCNBSA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CC[S@](C)=O)C1 ZINC001221254757 825161747 /nfs/dbraw/zinc/16/17/47/825161747.db2.gz SFHDIOZURJBVMU-YMNVWFMLSA-N 2 0 261.391 -0.850 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001221254360 825161753 /nfs/dbraw/zinc/16/17/53/825161753.db2.gz MPFBRLJNPGTZNW-RYUDHWBXSA-N 3 0 256.394 -0.099 20 0 CBADRP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@H]1C[NH2+]C[C@@H]1O ZINC001221248072 825162310 /nfs/dbraw/zinc/16/23/10/825162310.db2.gz INOVPVVECAAYKR-SGMGOOAPSA-N 2 0 267.373 -0.395 20 0 CBADRP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)C1=NO[C@@H]2C[NH2+]C[C@H]12 ZINC001221248376 825162488 /nfs/dbraw/zinc/16/24/88/825162488.db2.gz UHBLOHXXFZAXPV-YWPYICTPSA-N 2 0 292.383 -0.001 20 0 CBADRP O=C(NC1CN(C2COC2)C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221246322 825162544 /nfs/dbraw/zinc/16/25/44/825162544.db2.gz XTHJSLGDTQOIHB-ZDUSSCGKSA-N 2 0 294.399 -0.940 20 0 CBADRP [NH3+]CCC[NH2+]CC(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221248211 825162656 /nfs/dbraw/zinc/16/26/56/825162656.db2.gz NPRDFZITRRBCMU-CQSZACIVSA-N 3 0 268.405 -0.037 20 0 CBADRP CCOC(=O)/C=C(/NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)OCC ZINC001221262603 825163247 /nfs/dbraw/zinc/16/32/47/825163247.db2.gz JTSLOONIKIWZBI-PRWOLLLXSA-N 2 0 299.371 -0.130 20 0 CBADRP CC(C)(O)[C@H](F)CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001221260468 825163764 /nfs/dbraw/zinc/16/37/64/825163764.db2.gz QXDKHTVGWFACEL-JGVFFNPUSA-N 2 0 267.370 -0.769 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H]1CCCNC(=O)C1 ZINC001221269524 825165081 /nfs/dbraw/zinc/16/50/81/825165081.db2.gz PGQUFIXZELMKIK-QWRGUYRKSA-N 2 0 270.377 -0.512 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N[C@H]1CCCNC(=O)C1 ZINC001221269484 825165239 /nfs/dbraw/zinc/16/52/39/825165239.db2.gz NUCVIYISEFZAGL-QWRGUYRKSA-N 2 0 270.377 -0.382 20 0 CBADRP [NH3+][C@H](C(=O)N[C@@H]1CCCNC(=O)C1)C1CC[NH2+]CC1 ZINC001221268835 825165743 /nfs/dbraw/zinc/16/57/43/825165743.db2.gz DWVJMHYCLZYVBH-PWSUYJOCSA-N 2 0 268.361 -0.902 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)CC(=O)N2 ZINC001221298243 825168599 /nfs/dbraw/zinc/16/85/99/825168599.db2.gz HPRRKLUMWZVROM-LLVKDONJSA-N 2 0 276.340 -0.136 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCCNC(=O)c1cccs1 ZINC001221309058 825169807 /nfs/dbraw/zinc/16/98/07/825169807.db2.gz GEWTYTPMMIUAMI-SECBINFHSA-N 2 0 284.385 -0.340 20 0 CBADRP Cc1ncsc1CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221327686 825170624 /nfs/dbraw/zinc/17/06/24/825170624.db2.gz CQKBGFGWYKBMRR-SNVBAGLBSA-N 2 0 280.397 -0.081 20 0 CBADRP COc1cnccc1CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221337054 825173604 /nfs/dbraw/zinc/17/36/04/825173604.db2.gz OQPCXZCOJNQEGI-GFCCVEGCSA-N 2 0 290.367 -0.442 20 0 CBADRP [NH3+]CCCCNC(=O)C1([NH3+])CCC2(CC1)OCCO2 ZINC001221346974 825175193 /nfs/dbraw/zinc/17/51/93/825175193.db2.gz BXNZYFYVDLTMJW-UHFFFAOYSA-N 2 0 271.361 -0.144 20 0 CBADRP [NH3+][C@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1F)C1CCC(O)CC1 ZINC001221367588 825176540 /nfs/dbraw/zinc/17/65/40/825176540.db2.gz RFTFYVYXDQBYHA-IVVCIIHESA-N 2 0 273.352 -0.319 20 0 CBADRP COC1CC(CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001221366342 825176550 /nfs/dbraw/zinc/17/65/50/825176550.db2.gz HDXONCWZBSQAPF-YFTKGUKSSA-N 2 0 267.373 -0.273 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC[C@@H]1CNC(=O)O1 ZINC001221370423 825177926 /nfs/dbraw/zinc/17/79/26/825177926.db2.gz QUTUASUSEOSAPM-DTWKUNHWSA-N 2 0 258.322 -0.943 20 0 CBADRP O=C(NC[C@@H]1CNC(=O)O1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221371823 825178059 /nfs/dbraw/zinc/17/80/59/825178059.db2.gz ZCDYOJRTYRJIDG-NXEZZACHSA-N 2 0 282.344 -0.915 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@@H](CO)c1ccccc1 ZINC001221378595 825178646 /nfs/dbraw/zinc/17/86/46/825178646.db2.gz YIDBABZEPCUGSY-QWHCGFSZSA-N 2 0 265.357 -0.055 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001221390211 825179882 /nfs/dbraw/zinc/17/98/82/825179882.db2.gz OXMJIZXMJKFUMS-SDDRHHMPSA-N 3 0 296.419 -1.000 20 0 CBADRP C[C@]1(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCCOC1 ZINC001221403111 825182366 /nfs/dbraw/zinc/18/23/66/825182366.db2.gz QGKHNAUFLCQPAT-YPMHNXCESA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@@H]1C[NH2+]C[C@H](O)C1 ZINC001221397922 825182540 /nfs/dbraw/zinc/18/25/40/825182540.db2.gz QJYBWJAFMSVACG-SOUVJXGZSA-N 2 0 289.379 -0.213 20 0 CBADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)c1 ZINC001221402710 825182594 /nfs/dbraw/zinc/18/25/94/825182594.db2.gz CTQHZEYYUYAOLU-WXHSDQCUSA-N 2 0 278.356 -0.500 20 0 CBADRP C[NH+](C)CC1CCC(NC(=O)C[C@H](O)C[NH3+])CC1 ZINC001221401734 825182757 /nfs/dbraw/zinc/18/27/57/825182757.db2.gz MZBZRMWGRLWQIU-MCIGGMRASA-N 2 0 257.378 -0.067 20 0 CBADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)c1 ZINC001221402708 825182865 /nfs/dbraw/zinc/18/28/65/825182865.db2.gz CTQHZEYYUYAOLU-KGYLQXTDSA-N 2 0 278.356 -0.500 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1(CO)CC[NH+](C)CC1 ZINC001221402288 825183088 /nfs/dbraw/zinc/18/30/88/825183088.db2.gz BWTCLDLZWPETNG-VXGBXAGGSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH+]1CCC(CO)(NC(=O)C=C2CC[NH2+]CC2)CC1 ZINC001221403322 825183382 /nfs/dbraw/zinc/18/33/82/825183382.db2.gz BTXKLLJYIFFSHQ-UHFFFAOYSA-N 2 0 267.373 -0.131 20 0 CBADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])COC(C)=O)c1 ZINC001221406221 825183773 /nfs/dbraw/zinc/18/37/73/825183773.db2.gz PFDNUSBILXJUCB-QWHCGFSZSA-N 2 0 295.339 -0.298 20 0 CBADRP C[NH+]1CCC(CO)(NC(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC001221407339 825183850 /nfs/dbraw/zinc/18/38/50/825183850.db2.gz XXNXLJAEDDTNHG-LBPRGKRZSA-N 2 0 255.362 -0.441 20 0 CBADRP COc1cccc([C@H](C[NH3+])NC(=O)CN2CC[NH2+]CC2)c1 ZINC001221404358 825184082 /nfs/dbraw/zinc/18/40/82/825184082.db2.gz HQHJGKKLCBVSTL-AWEZNQCLSA-N 2 0 292.383 -0.284 20 0 CBADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@H]2[NH2+]CC[C@@H]2O)c1 ZINC001221405255 825184517 /nfs/dbraw/zinc/18/45/17/825184517.db2.gz RFFRHXUCEWSJKL-AVGNSLFASA-N 2 0 279.340 -0.466 20 0 CBADRP COc1cccc([C@@H](C[NH3+])NC(=O)CNCC[NH3+])c1 ZINC001221406037 825184553 /nfs/dbraw/zinc/18/45/53/825184553.db2.gz ZDBUFHNQSWEEPE-GFCCVEGCSA-N 2 0 266.345 -0.641 20 0 CBADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@]2(N)CC[NH2+]C2)c1 ZINC001221406007 825184763 /nfs/dbraw/zinc/18/47/63/825184763.db2.gz YQBPLVFLVVCRCS-OCCSQVGLSA-N 2 0 278.356 -0.498 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)[C@@H](C)C1 ZINC001221409881 825185665 /nfs/dbraw/zinc/18/56/65/825185665.db2.gz VLYXPNZIGUPLRY-CYDGBPFRSA-N 2 0 269.389 -0.056 20 0 CBADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@@H]1C[NH2+]CCN1 ZINC001221408285 825185701 /nfs/dbraw/zinc/18/57/01/825185701.db2.gz HYSBKYRGOUMKKJ-NWDGAFQWSA-N 2 0 252.362 -0.948 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221415109 825186880 /nfs/dbraw/zinc/18/68/80/825186880.db2.gz XSJSRUYWBACPFP-JSGCOSHPSA-N 2 0 267.373 -0.131 20 0 CBADRP CNC(=O)CN1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221773063 825193800 /nfs/dbraw/zinc/19/38/00/825193800.db2.gz WOMRQSDZSCUSKB-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP [NH3+][C@H](Cc1ccccc1)CN1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001222374019 825209360 /nfs/dbraw/zinc/20/93/60/825209360.db2.gz OGDYMZJLEOIUEP-GDBMZVCRSA-N 2 0 288.395 -0.280 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCN1CC[C@@H]1CCCC[NH2+]1 ZINC001222414155 825210223 /nfs/dbraw/zinc/21/02/23/825210223.db2.gz JHPQFYJUBZXVOW-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP C([C@@H]1COCC[NH2+]1)N1CC[NH2+]C[C@]2(CCCCN2)C1 ZINC001222667626 825220482 /nfs/dbraw/zinc/22/04/82/825220482.db2.gz GARIRCPMNVADNS-ZIAGYGMSSA-N 2 0 268.405 -0.608 20 0 CBADRP C(CN1CC[NH2+]C[C@@]2(CCCCN2)C1)[C@H]1C[NH2+]CCO1 ZINC001222668858 825220916 /nfs/dbraw/zinc/22/09/16/825220916.db2.gz NWNFICPIFGIDQI-GJZGRUSLSA-N 2 0 282.432 -0.218 20 0 CBADRP CN(C)C(=O)C[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224338025 825236824 /nfs/dbraw/zinc/23/68/24/825236824.db2.gz PPXBLDCLDFZLTM-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP CNC(=O)[C@H](C)[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224347254 825237682 /nfs/dbraw/zinc/23/76/82/825237682.db2.gz ZRIDGTLDCNXJIW-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP CCNC(=O)C[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224337271 825237714 /nfs/dbraw/zinc/23/77/14/825237714.db2.gz IBACJNRILKTGLD-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O)[NH+](C)C ZINC001227056301 825295367 /nfs/dbraw/zinc/29/53/67/825295367.db2.gz FIONSQKHBXYZKJ-IJLUTSLNSA-N 2 0 284.404 -0.171 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](CCO)CC1)C1CC1 ZINC001227798439 825309172 /nfs/dbraw/zinc/30/91/72/825309172.db2.gz YERFVUTVACHKSW-CYBMUJFWSA-N 2 0 269.389 -0.101 20 0 CBADRP CN(C)C(=O)CN1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228889031 825323161 /nfs/dbraw/zinc/32/31/61/825323161.db2.gz PRHAXSNJVGDFHC-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H](C(N)=O)N1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228895360 825323772 /nfs/dbraw/zinc/32/37/72/825323772.db2.gz LTVAVOSXDNDQQW-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH+](C)CCCC(=O)NC1CCN(CC(N)=O)CC1 ZINC001228889072 825323793 /nfs/dbraw/zinc/32/37/93/825323793.db2.gz RDGYNOSONOFWKI-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP C[NH+](C)CCOCC(=O)NC1CC[NH+](CCO)CC1 ZINC001230048677 825342111 /nfs/dbraw/zinc/34/21/11/825342111.db2.gz ODEYIOCXQJORBT-UHFFFAOYSA-N 2 0 273.377 -0.863 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001230138232 825343399 /nfs/dbraw/zinc/34/33/99/825343399.db2.gz LHNVOHVLVNKIMY-JHJVBQTASA-N 2 0 296.415 -0.299 20 0 CBADRP C(CN1CCN2CC[NH2+]C[C@H]2C1)C1CC[NH2+]CC1 ZINC001234976799 825478842 /nfs/dbraw/zinc/47/88/42/825478842.db2.gz WKFXIQOTYJVSCC-AWEZNQCLSA-N 2 0 252.406 -0.035 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CCNC[C@]23CC[NH2+]C3)O1 ZINC001234981896 825479547 /nfs/dbraw/zinc/47/95/47/825479547.db2.gz PTYOICGIPBOAPV-WCQYABFASA-N 2 0 254.378 -0.652 20 0 CBADRP C(c1nc2c(s1)C[NH2+]CC2)N1CCNC[C@@]12CC[NH2+]C2 ZINC001234986722 825479665 /nfs/dbraw/zinc/47/96/65/825479665.db2.gz CAAXRGCUXVGJCM-AWEZNQCLSA-N 2 0 293.440 -0.074 20 0 CBADRP C[NH+]1CCC(CN2CCNC[C@@]23CC[NH2+]C3)CC1 ZINC001234982276 825480089 /nfs/dbraw/zinc/48/00/89/825480089.db2.gz RXCNMQQSWMULGD-AWEZNQCLSA-N 2 0 252.406 -0.035 20 0 CBADRP FC1(CN2CCNC[C@]23CC[NH2+]C3)CC[NH2+]CC1 ZINC001234978988 825481012 /nfs/dbraw/zinc/48/10/12/825481012.db2.gz CNKFRAHNQIVBFB-CYBMUJFWSA-N 2 0 256.369 -0.285 20 0 CBADRP C[N@@H+]1CCC[C@@H](CN2CCNC[C@@]23CC[NH2+]C3)C1 ZINC001234982550 825481254 /nfs/dbraw/zinc/48/12/54/825481254.db2.gz UUFVTJFXFGQOSE-KGLIPLIRSA-N 2 0 252.406 -0.035 20 0 CBADRP c1cc2n(c1CN1CCN[C@@]3(CC[NH2+]C3)C1)CC[NH2+]C2 ZINC001235052662 825484351 /nfs/dbraw/zinc/48/43/51/825484351.db2.gz GNXLGWUWABIECE-OAHLLOKOSA-N 2 0 275.400 -0.271 20 0 CBADRP CC(=O)N1CCC[C@@H](C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001235053525 825484876 /nfs/dbraw/zinc/48/48/76/825484876.db2.gz UJNRSLFKXKEWQD-GJZGRUSLSA-N 2 0 280.416 -0.118 20 0 CBADRP C(CN1CCN[C@@]2(CC[NH2+]C2)C1)[C@@H]1C[NH2+]CCO1 ZINC001235054197 825485467 /nfs/dbraw/zinc/48/54/67/825485467.db2.gz VEGOULSFCXMUOO-CHWSQXEVSA-N 2 0 254.378 -0.998 20 0 CBADRP C[N@@H+]1CCC[C@H](CN2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001235056318 825485580 /nfs/dbraw/zinc/48/55/80/825485580.db2.gz XSVJHPYNQCLGHY-KBPBESRZSA-N 2 0 252.406 -0.035 20 0 CBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(CC[NH3+])C2 ZINC001235268360 825490180 /nfs/dbraw/zinc/49/01/80/825490180.db2.gz AUFLGXDYMYWIKG-WDEREUQCSA-N 2 0 295.305 -0.038 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CCO[C@H]3C[NH2+]CC[C@@H]32)O1 ZINC001235239841 825491216 /nfs/dbraw/zinc/49/12/16/825491216.db2.gz JEQXFSNDMFKMGS-SRVKXCTJSA-N 2 0 255.362 -0.226 20 0 CBADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](CCCO)C2 ZINC001235331027 825492595 /nfs/dbraw/zinc/49/25/95/825492595.db2.gz SYTIQYNRGHFDPL-CZXHOFHRSA-N 2 0 268.357 -0.301 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1CCCC[NH3+] ZINC001235323736 825492856 /nfs/dbraw/zinc/49/28/56/825492856.db2.gz JESVYMOPQVOVOT-SDDRHHMPSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(C1CC[NH+](CCCO)CC1)N1CC[NH2+]CC1 ZINC001235300771 825492990 /nfs/dbraw/zinc/49/29/90/825492990.db2.gz RZMCAEDADMGPDO-UHFFFAOYSA-N 2 0 255.362 -0.487 20 0 CBADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1CN(CC[NH3+])C2 ZINC001235336053 825494349 /nfs/dbraw/zinc/49/43/49/825494349.db2.gz CLLBBNFNZBFLHW-XZUYRWCXSA-N 2 0 253.346 -0.724 20 0 CBADRP OC[C@H]1C[NH2+]CCN1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235439980 825496791 /nfs/dbraw/zinc/49/67/91/825496791.db2.gz DUSCQQDHLLVPOP-MRXNPFEDSA-N 2 0 290.411 -0.138 20 0 CBADRP CC(=O)N1CCO[C@]2(C1)COCC[N@H+](CCCC[NH3+])C2 ZINC001235628813 825508083 /nfs/dbraw/zinc/50/80/83/825508083.db2.gz LJNSTGGWMKOTOA-CQSZACIVSA-N 2 0 285.388 -0.325 20 0 CBADRP COC(=O)[C@H]1C[C@H]([NH3+])CN(C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235771253 825514178 /nfs/dbraw/zinc/51/41/78/825514178.db2.gz KEVCXDHPBFSJIQ-DCAQKATOSA-N 2 0 271.361 -0.467 20 0 CBADRP Fc1cnc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(F)c1 ZINC001235869074 825515090 /nfs/dbraw/zinc/51/50/90/825515090.db2.gz JFNNTZQLTBMSKS-UHFFFAOYSA-N 2 0 299.369 -0.056 20 0 CBADRP C(CN1CC[NH2+]CCNCC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC001235868384 825515569 /nfs/dbraw/zinc/51/55/69/825515569.db2.gz CYUPQZVUFLLQQX-OAHLLOKOSA-N 3 0 283.464 -0.397 20 0 CBADRP COC(=O)C[C@H]1C[NH2+]CCN1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235846905 825515655 /nfs/dbraw/zinc/51/56/55/825515655.db2.gz OMCGIFBWDZQFML-RYUDHWBXSA-N 2 0 285.388 -0.062 20 0 CBADRP COC(=O)CCCN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235864917 825515692 /nfs/dbraw/zinc/51/56/92/825515692.db2.gz KTLCGDTXJJSJPR-UHFFFAOYSA-N 2 0 272.393 -0.976 20 0 CBADRP C([C@@H]1CCCCO1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869991 825515697 /nfs/dbraw/zinc/51/56/97/825515697.db2.gz LYVRROXPHMHDJB-AWEZNQCLSA-N 2 0 270.421 -0.360 20 0 CBADRP C([C@H]1CCCCO1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869994 825515954 /nfs/dbraw/zinc/51/59/54/825515954.db2.gz LYVRROXPHMHDJB-CQSZACIVSA-N 2 0 270.421 -0.360 20 0 CBADRP C([C@@H]1CCCO1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871091 825516273 /nfs/dbraw/zinc/51/62/73/825516273.db2.gz STHGPMLKSYPYCO-ZDUSSCGKSA-N 2 0 256.394 -0.750 20 0 CBADRP Cc1ncn(C)c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871586 825516463 /nfs/dbraw/zinc/51/64/63/825516463.db2.gz WNDOPZZLARBEHW-UHFFFAOYSA-N 2 0 280.420 -0.687 20 0 CBADRP c1ncc(CN2CC[NH2+]CCNCC[NH2+]CC2)s1 ZINC001235871075 825516470 /nfs/dbraw/zinc/51/64/70/825516470.db2.gz SHMQNZXIOMTZCT-UHFFFAOYSA-N 2 0 269.418 -0.273 20 0 CBADRP C(C[NH+]1CCNCC[NH2+]CCNCC1)[C@@H]1CCC[NH2+]C1 ZINC001235870087 825516923 /nfs/dbraw/zinc/51/69/23/825516923.db2.gz NLCAUMLPURCWIG-HNNXBMFYSA-N 3 0 283.464 -0.540 20 0 CBADRP [NH3+][C@H](CN1CC[NH2+]CCNCC[NH2+]CC1)c1ccccc1 ZINC001235871045 825517065 /nfs/dbraw/zinc/51/70/65/825517065.db2.gz RSCZEFJGPLLVKG-MRXNPFEDSA-N 3 0 291.443 -0.229 20 0 CBADRP Cc1nc(N)ccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871155 825517082 /nfs/dbraw/zinc/51/70/82/825517082.db2.gz QFKFSMYYSORSSH-UHFFFAOYSA-N 2 0 292.431 -0.443 20 0 CBADRP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001235928646 825517718 /nfs/dbraw/zinc/51/77/18/825517718.db2.gz BPOVALSXBGVQPP-XNJGVTPASA-N 2 0 298.383 -0.235 20 0 CBADRP [NH3+]Cc1cccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235873505 825517980 /nfs/dbraw/zinc/51/79/80/825517980.db2.gz HRZWJAZWGXDLLL-UHFFFAOYSA-N 3 0 291.443 -0.270 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1Cc1ccc2n1CC[NH2+]C2 ZINC001236055401 825520652 /nfs/dbraw/zinc/52/06/52/825520652.db2.gz QZGVUSWSYPHSTA-ZDUSSCGKSA-N 2 0 278.356 -0.462 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1Cc1c[nH+]ccc1N ZINC001236052867 825520882 /nfs/dbraw/zinc/52/08/82/825520882.db2.gz HOMMOUREXAIJHD-NSHDSACASA-N 2 0 250.302 -0.559 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1C[C@H]1CCC[N@H+](C)C1 ZINC001236053468 825520895 /nfs/dbraw/zinc/52/08/95/825520895.db2.gz WWEPEMAETSTSOY-RYUDHWBXSA-N 2 0 255.362 -0.225 20 0 CBADRP CCOC(=O)[C@]12CN(C[C@@H](C)[NH3+])C[C@H]1C[NH2+]CC2 ZINC001236038537 825521270 /nfs/dbraw/zinc/52/12/70/825521270.db2.gz QLZYZRAVFZAUEU-NQBHXWOUSA-N 2 0 255.362 -0.192 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1CC[C@@H]1CCC[NH2+]C1 ZINC001236196515 825523942 /nfs/dbraw/zinc/52/39/42/825523942.db2.gz JVVHVCFNFZBRCR-TUAOUCFPSA-N 2 0 255.362 -0.049 20 0 CBADRP COC(=O)[C@H]1C[N@H+](CC2(C)CC[NH2+]CC2)C[C@H]1N ZINC001236340018 825526444 /nfs/dbraw/zinc/52/64/44/825526444.db2.gz GWULVILKTCXGEO-WDEREUQCSA-N 2 0 255.362 -0.192 20 0 CBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])CC[C@@H]1CCC[NH2+]C1 ZINC001236309975 825527044 /nfs/dbraw/zinc/52/70/44/825527044.db2.gz QTQLOSNOYIMICW-AWEZNQCLSA-N 3 0 299.463 -0.508 20 0 CBADRP COC(=O)[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1N ZINC001236344754 825528059 /nfs/dbraw/zinc/52/80/59/825528059.db2.gz SJXMCQMFHLXXBJ-IJLUTSLNSA-N 2 0 255.362 -0.192 20 0 CBADRP COC(=O)[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H]1N ZINC001236343988 825528103 /nfs/dbraw/zinc/52/81/03/825528103.db2.gz QPNMAKOZCOEJCB-VXGBXAGGSA-N 2 0 255.362 -0.192 20 0 CBADRP COC(=O)[C@H]1C[N@H+](CC2CC[NH+](C)CC2)C[C@H]1N ZINC001236346205 825530060 /nfs/dbraw/zinc/53/00/60/825530060.db2.gz YFQUHCDSPWGMJI-NWDGAFQWSA-N 2 0 255.362 -0.240 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1cccnc1N1CC[NH2+]CC1 ZINC001237493069 825535038 /nfs/dbraw/zinc/53/50/38/825535038.db2.gz OQWRPVLUIKEDAA-UHFFFAOYSA-N 2 0 285.373 -0.808 20 0 CBADRP [NH3+]CCS(=O)(=O)Nc1cnn([C@H]2CC[NH2+]C2)c1 ZINC001237547534 825536089 /nfs/dbraw/zinc/53/60/89/825536089.db2.gz GOJIKXHSHRBTRR-VIFPVBQESA-N 2 0 259.335 -0.882 20 0 CBADRP C[NH+]1CCC(n2cc(NS(=O)(=O)CC[NH3+])cn2)CC1 ZINC001237518131 825537185 /nfs/dbraw/zinc/53/71/85/825537185.db2.gz CYGWZKAAHXEKEJ-UHFFFAOYSA-N 2 0 287.389 -0.150 20 0 CBADRP C[C@H]1[NH2+]CC[C@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238139403 825546800 /nfs/dbraw/zinc/54/68/00/825546800.db2.gz NPLRUBLDUUZNRG-MWLCHTKSSA-N 2 0 261.391 -0.344 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1CC[NH2+]C[C@@H]1F ZINC001238049049 825544900 /nfs/dbraw/zinc/54/49/00/825544900.db2.gz CUTHIISXLOTRJT-QWRGUYRKSA-N 2 0 279.381 -0.395 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNS(=O)(=O)C2CC[NH2+]CC2)C1 ZINC001238109944 825546999 /nfs/dbraw/zinc/54/69/99/825546999.db2.gz OMHBQSSJPHTAPI-WDEREUQCSA-N 2 0 275.418 -0.097 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1CNS(=O)(=O)C1CC[NH2+]CC1 ZINC001238169563 825549088 /nfs/dbraw/zinc/54/90/88/825549088.db2.gz LGAFDTATEPCNEJ-MNOVXSKESA-N 2 0 275.418 -0.097 20 0 CBADRP [NH3+]CCS(=O)(=O)N[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001238216963 825549238 /nfs/dbraw/zinc/54/92/38/825549238.db2.gz BIZCGRYVLNOUQK-JTQLQIEISA-N 2 0 261.391 -0.213 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1CNS(=O)(=O)[C@H]1CC[NH2+]C1 ZINC001238181127 825549269 /nfs/dbraw/zinc/54/92/69/825549269.db2.gz FCWGERDEMQFRBH-MXWKQRLJSA-N 2 0 261.391 -0.487 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1CCOC12C[NH2+]C2 ZINC001238228505 825549522 /nfs/dbraw/zinc/54/95/22/825549522.db2.gz NDORNUINKZDIRJ-NSHDSACASA-N 2 0 289.401 -0.964 20 0 CBADRP [NH3+]CCS(=O)(=O)NCC[C@H]1CCOC12CC[NH2+]CC2 ZINC001238276699 825550596 /nfs/dbraw/zinc/55/05/96/825550596.db2.gz MAAFOCRGIAHOTA-NSHDSACASA-N 2 0 291.417 -0.587 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001238325763 825551174 /nfs/dbraw/zinc/55/11/74/825551174.db2.gz ITSKZWSPESWEKB-AGIUHOORSA-N 2 0 287.429 -0.097 20 0 CBADRP [NH3+]CCS(=O)(=O)N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001238364563 825552383 /nfs/dbraw/zinc/55/23/83/825552383.db2.gz VAOQQWSQKBRHGS-WDEREUQCSA-N 2 0 277.390 -0.834 20 0 CBADRP CCC[NH2+]CCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238595402 825556415 /nfs/dbraw/zinc/55/64/15/825556415.db2.gz NDXUUZCUPLNVDI-UHFFFAOYSA-N 2 0 263.407 -0.095 20 0 CBADRP C[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)C1C[NH2+]C1 ZINC001238683025 825561096 /nfs/dbraw/zinc/56/10/96/825561096.db2.gz XLXHKONRSIGYDG-SECBINFHSA-N 2 0 261.391 -0.487 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001238748992 825562339 /nfs/dbraw/zinc/56/23/39/825562339.db2.gz ROEXPZDWKBDEOI-NWDGAFQWSA-N 2 0 284.385 -0.390 20 0 CBADRP [NH3+]CCS(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001238807128 825564531 /nfs/dbraw/zinc/56/45/31/825564531.db2.gz CPYKPHQRWJFKSH-SNVBAGLBSA-N 2 0 261.391 -0.119 20 0 CBADRP [NH3+]CC1(NS(=O)(=O)CC2CC[NH2+]CC2)CCC1 ZINC001238799476 825565078 /nfs/dbraw/zinc/56/50/78/825565078.db2.gz CVVYCAUXENFOIV-UHFFFAOYSA-N 2 0 261.391 -0.213 20 0 CBADRP CC(C)[NH2+]CCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238882669 825567387 /nfs/dbraw/zinc/56/73/87/825567387.db2.gz QCWHKSIALMMBKK-UHFFFAOYSA-N 2 0 263.407 -0.097 20 0 CBADRP Cc1ccnc(S(=O)(=O)NCCC[NH2+]CCC[NH3+])c1 ZINC001238878363 825567881 /nfs/dbraw/zinc/56/78/81/825567881.db2.gz DKXSKYNULKWSBB-UHFFFAOYSA-N 2 0 286.401 -0.003 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1C[NH2+]C[C@@H]2C[C@@H]21 ZINC001238910963 825571277 /nfs/dbraw/zinc/57/12/77/825571277.db2.gz SDAOXJAUYTUEKK-SDDRHHMPSA-N 2 0 273.402 -0.487 20 0 CBADRP [NH3+]C[C@@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)CCC1(F)F ZINC001238945739 825576062 /nfs/dbraw/zinc/57/60/62/825576062.db2.gz XSAFJHYKYCNPAA-SECBINFHSA-N 2 0 297.371 -0.016 20 0 CBADRP [NH3+]C[C@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)CCC1(F)F ZINC001238945740 825576496 /nfs/dbraw/zinc/57/64/96/825576496.db2.gz XSAFJHYKYCNPAA-VIFPVBQESA-N 2 0 297.371 -0.016 20 0 CBADRP [NH3+]C[C@H]1CN(S(=O)(=O)[C@H]2CC[NH2+]C2)CCC1(F)F ZINC001238953782 825577588 /nfs/dbraw/zinc/57/75/88/825577588.db2.gz RHDOSAWXXWQSOQ-IUCAKERBSA-N 2 0 283.344 -0.406 20 0 CBADRP [NH3+][C@@H]1CCN(S(=O)(=O)C2CC[NH2+]CC2)CC[C@@H]1F ZINC001238968052 825578330 /nfs/dbraw/zinc/57/83/30/825578330.db2.gz PRXUDTXTOITLMO-WDEREUQCSA-N 2 0 279.381 -0.171 20 0 CBADRP C[C@H]1C[NH2+]CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001238967838 825578858 /nfs/dbraw/zinc/57/88/58/825578858.db2.gz UYOXKXUHVVJCRA-NSHDSACASA-N 2 0 275.418 -0.143 20 0 CBADRP [NH3+][C@@H]1C[C@H](F)CN(S(=O)(=O)[C@H]2CC[NH2+]C2)C1 ZINC001238970182 825579862 /nfs/dbraw/zinc/57/98/62/825579862.db2.gz HQYOMMWEVPIHJT-YIZRAAEISA-N 2 0 251.327 -0.951 20 0 CBADRP O=S(=O)([C@@H]1CC[NH2+]C1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001239001207 825581689 /nfs/dbraw/zinc/58/16/89/825581689.db2.gz OBKPQBXFCARKNY-VXGBXAGGSA-N 2 0 273.402 -0.104 20 0 CBADRP CN([C@H]1CCC[NH2+]C1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239063195 825583857 /nfs/dbraw/zinc/58/38/57/825583857.db2.gz CISLTFIILXNMGJ-LBPRGKRZSA-N 2 0 275.418 0.000 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001239091765 825586377 /nfs/dbraw/zinc/58/63/77/825586377.db2.gz VYBIBMPCCWIODA-LLVKDONJSA-N 2 0 261.391 -0.165 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001239073234 825585455 /nfs/dbraw/zinc/58/54/55/825585455.db2.gz LCCPJBBHMIXVMS-NEPJUHHUSA-N 2 0 275.418 -0.014 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001239097688 825587019 /nfs/dbraw/zinc/58/70/19/825587019.db2.gz QCSDZSFWMLDDMI-LLVKDONJSA-N 2 0 261.391 -0.261 20 0 CBADRP C[NH+]1CCC2(CCN(S(=O)(=O)CC[NH3+])C2)CC1 ZINC001239101829 825587993 /nfs/dbraw/zinc/58/79/93/825587993.db2.gz VQRKNVKVWVLKRY-UHFFFAOYSA-N 2 0 261.391 -0.307 20 0 CBADRP [NH3+][C@@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1(F)F ZINC001239099852 825588016 /nfs/dbraw/zinc/58/80/16/825588016.db2.gz YFURENSSAIQSOE-SNVBAGLBSA-N 2 0 297.371 -0.016 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N(C1CC1)C1C[NH2+]C1 ZINC001239112337 825589821 /nfs/dbraw/zinc/58/98/21/825589821.db2.gz QBOWUGRGRGLSNW-UHFFFAOYSA-N 2 0 273.402 -0.248 20 0 CBADRP CCCN(CCC[NH+](C)C)S(=O)(=O)CC[NH3+] ZINC001239132016 825592335 /nfs/dbraw/zinc/59/23/35/825592335.db2.gz CKJRDQDLHJBVEY-UHFFFAOYSA-N 2 0 251.396 -0.061 20 0 CBADRP [NH3+]CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001239170040 825595613 /nfs/dbraw/zinc/59/56/13/825595613.db2.gz IBLJJZCJNHGKFA-LBPRGKRZSA-N 2 0 269.370 -0.340 20 0 CBADRP CN1CC2(C1)CN(S(=O)(=O)CC1CC[NH2+]CC1)C2 ZINC001239174797 825596781 /nfs/dbraw/zinc/59/67/81/825596781.db2.gz NRSZDZZSGWUCTE-UHFFFAOYSA-N 2 0 273.402 -0.437 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CC[C@H](N2CCCC2)[C@@H](F)C1 ZINC001239181870 825596936 /nfs/dbraw/zinc/59/69/36/825596936.db2.gz LNEFWHBVISOLEN-QWRGUYRKSA-N 2 0 279.381 -0.217 20 0 CBADRP C[NH+](C)CCNC(=S)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239364348 825600433 /nfs/dbraw/zinc/60/04/33/825600433.db2.gz ZPRDAIOXNGDOLR-LBPRGKRZSA-N 3 0 299.488 -0.114 20 0 CBADRP CC(C)(C)OC(=O)[C@H](CCC[NH3+])NC(=S)NCC[NH3+] ZINC001239371093 825601784 /nfs/dbraw/zinc/60/17/84/825601784.db2.gz XPCNUPDMZXCEAF-VIFPVBQESA-N 2 0 290.433 -0.142 20 0 CBADRP OC[C@H]1C[NH2+]C[C@H]1NC(=S)NCC[NH+]1CCCCC1 ZINC001239378667 825601872 /nfs/dbraw/zinc/60/18/72/825601872.db2.gz SSMTWLLWFWWARU-VXGBXAGGSA-N 2 0 286.445 -0.483 20 0 CBADRP c1nn(C2C[NH2+]C2)cc1-c1cncc(N2CC[NH2+]CC2)n1 ZINC001241591569 825608986 /nfs/dbraw/zinc/60/89/86/825608986.db2.gz DHZVLDOIZJRECX-UHFFFAOYSA-N 2 0 285.355 -0.106 20 0 CBADRP c1nc(N2CC[NH2+]CC2)ncc1-c1cc2c(nn1)C[NH2+]C2 ZINC001241895502 825609080 /nfs/dbraw/zinc/60/90/80/825609080.db2.gz CEAQHXFPJGPVGO-UHFFFAOYSA-N 2 0 283.339 -0.054 20 0 CBADRP C[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)CN2CCOCC2)C[NH2+]1 ZINC001245977506 825615928 /nfs/dbraw/zinc/61/59/28/825615928.db2.gz WQISJPNRWKGRQC-MGPQQGTHSA-N 2 0 271.405 -0.343 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+]C[C@H](O)CN1CCOCC1 ZINC001245984546 825618012 /nfs/dbraw/zinc/61/80/12/825618012.db2.gz QRPZRYPMGAZMKQ-RDBSUJKOSA-N 2 0 271.405 -0.485 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+]C[C@@H](O)CN1CCOCC1 ZINC001245984536 825618024 /nfs/dbraw/zinc/61/80/24/825618024.db2.gz QRPZRYPMGAZMKQ-HZSPNIEDSA-N 2 0 271.405 -0.485 20 0 CBADRP OC1(C[NH2+]C2CN(C3CC[NH2+]CC3)C2)CCOCC1 ZINC001245989609 825618059 /nfs/dbraw/zinc/61/80/59/825618059.db2.gz MMQMJJOWAQFVKL-UHFFFAOYSA-N 2 0 269.389 -0.446 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001245984520 825618550 /nfs/dbraw/zinc/61/85/50/825618550.db2.gz NKVRTIBJVHTUAK-UPJWGTAASA-N 3 0 271.405 -0.289 20 0 CBADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001245995284 825619397 /nfs/dbraw/zinc/61/93/97/825619397.db2.gz NKVRTIBJVHTUAK-XQQFMLRXSA-N 3 0 271.405 -0.289 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001246013740 825620564 /nfs/dbraw/zinc/62/05/64/825620564.db2.gz JQPIGWWZXLDMSH-ZOBORPQBSA-N 2 0 267.348 -0.102 20 0 CBADRP C[C@@]1([NH3+])CCN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246014538 825620849 /nfs/dbraw/zinc/62/08/49/825620849.db2.gz OSRWTYKZCNLDFT-NWDGAFQWSA-N 2 0 257.378 -0.725 20 0 CBADRP C[C@]1([NH3+])CCN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246014540 825620903 /nfs/dbraw/zinc/62/09/03/825620903.db2.gz OSRWTYKZCNLDFT-RYUDHWBXSA-N 2 0 257.378 -0.725 20 0 CBADRP [NH3+]C[C@]1(O)CCC[N@H+](CC2(O)CC[NH2+]CC2)CC1 ZINC001246020434 825621957 /nfs/dbraw/zinc/62/19/57/825621957.db2.gz LJNMUWGRJGJBAV-LBPRGKRZSA-N 3 0 257.378 -0.723 20 0 CBADRP [NH3+][C@H]1CCC[N@H+](C[C@@H](O)CN2CCOCC2)CC1 ZINC001246018970 825622822 /nfs/dbraw/zinc/62/28/22/825622822.db2.gz ZYFZUFLXSRCNFP-QWHCGFSZSA-N 2 0 257.378 -0.507 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246018423 825622898 /nfs/dbraw/zinc/62/28/98/825622898.db2.gz DQCXCVWQXKAPJA-ZIAGYGMSSA-N 3 0 273.421 -0.135 20 0 CBADRP OC1(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CCOCC1 ZINC001246024199 825623897 /nfs/dbraw/zinc/62/38/97/825623897.db2.gz GTRWOYLAOIGCTK-LBPRGKRZSA-N 2 0 255.362 -0.835 20 0 CBADRP CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246023603 825624221 /nfs/dbraw/zinc/62/42/21/825624221.db2.gz SGLWMZIFMDZRMW-STQMWFEESA-N 2 0 260.378 -0.052 20 0 CBADRP [NH3+]C[C@]1(O)CCC[N@H+](CC2(O)CCOCC2)CC1 ZINC001246024392 825624502 /nfs/dbraw/zinc/62/45/02/825624502.db2.gz VHLHFEMURZZVED-LBPRGKRZSA-N 2 0 258.362 -0.296 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CN1CCNC[C@]12CC[NH2+]C2 ZINC001246024408 825624657 /nfs/dbraw/zinc/62/46/57/825624657.db2.gz FQHYGNJPOWMKPJ-ZIAGYGMSSA-N 2 0 270.421 -0.674 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246024596 825624690 /nfs/dbraw/zinc/62/46/90/825624690.db2.gz HXBCLRJTVDNNDL-KBPBESRZSA-N 2 0 270.421 -0.674 20 0 CBADRP CCCOC[C@H](O)C[N@@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001246027859 825625383 /nfs/dbraw/zinc/62/53/83/825625383.db2.gz YPHNIOSPBPOEIH-DOMZBBRYSA-N 2 0 297.399 -0.815 20 0 CBADRP [NH3+][C@H]1CN(C[C@H](O)CC2(O)CC[NH2+]CC2)CC(F)(F)C1 ZINC001246029853 825628150 /nfs/dbraw/zinc/62/81/50/825628150.db2.gz MGNOCMVSAQXUAQ-GHMZBOCLSA-N 2 0 293.358 -0.480 20 0 CBADRP O[C@]1(CN2CC[NH2+]C[C@@]3(CCCCN3)C2)CC[NH2+]C1 ZINC001246030333 825628231 /nfs/dbraw/zinc/62/82/31/825628231.db2.gz RTANJPZJOYXTCU-UONOGXRCSA-N 2 0 268.405 -0.872 20 0 CBADRP CCOC(=O)[C@]12CN(C[C@@]3(O)CC[NH2+]C3)C[C@H]1C[NH2+]CC2 ZINC001246043209 825629096 /nfs/dbraw/zinc/62/90/96/825629096.db2.gz AXDBBNZTLNODSE-BPLDGKMQSA-N 3 0 297.399 -0.815 20 0 CBADRP CCCC[C@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246052010 825630026 /nfs/dbraw/zinc/63/00/26/825630026.db2.gz AICOTQQCSSOPBX-AWEZNQCLSA-N 2 0 272.437 -0.378 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CN1C[C@@H]([NH3+])C[C@H]1C(=O)OC ZINC001246064536 825631480 /nfs/dbraw/zinc/63/14/80/825631480.db2.gz NCWXNBHRKKQOOX-TUAOUCFPSA-N 2 0 273.377 -0.736 20 0 CBADRP O[C@H](CN1CC[C@@H]2[NH2+]CCC[C@H]2C1)CC1(O)CC[NH2+]CC1 ZINC001246062166 825631530 /nfs/dbraw/zinc/63/15/30/825631530.db2.gz XSWOTQQIECRSTK-KKUMJFAQSA-N 2 0 297.443 -0.074 20 0 CBADRP CO[C@H]1C[NH2+]C[C@@H]1N(C)C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246066891 825632414 /nfs/dbraw/zinc/63/24/14/825632414.db2.gz UJGNZQIGMBEUBF-JONQDZQNSA-N 2 0 293.411 -0.164 20 0 CBADRP [NH3+]C[C@H]1CCCN1C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246065489 825632472 /nfs/dbraw/zinc/63/24/72/825632472.db2.gz PGPBHEONDRWAGL-VXGBXAGGSA-N 2 0 257.378 -0.725 20 0 CBADRP O=C1C[C@@H](C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246079921 825633915 /nfs/dbraw/zinc/63/39/15/825633915.db2.gz GBKJWLDFKQBPLA-QWRGUYRKSA-N 2 0 252.362 -0.804 20 0 CBADRP CCOC(=O)N1CC[C@@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001246078578 825634016 /nfs/dbraw/zinc/63/40/16/825634016.db2.gz BKZVGWRFYQHIEG-NTZNESFSSA-N 2 0 289.351 -0.131 20 0 CBADRP c1c(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)nc2ncccn12 ZINC001246079464 825634088 /nfs/dbraw/zinc/63/40/88/825634088.db2.gz ZGZOHAWGUDHIOT-LLVKDONJSA-N 2 0 272.356 -0.087 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[NH2+][C@@H]2C)CN1 ZINC001246093817 825635382 /nfs/dbraw/zinc/63/53/82/825635382.db2.gz QJECPZMCZQPLOH-KXNHARMFSA-N 2 0 255.362 -0.132 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CCC(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC001246107983 825635952 /nfs/dbraw/zinc/63/59/52/825635952.db2.gz JOSKAXGIBLCIGS-NWDGAFQWSA-N 3 0 254.378 -0.462 20 0 CBADRP CN1CCO[C@H](C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246102963 825636003 /nfs/dbraw/zinc/63/60/03/825636003.db2.gz RNHGKLYDAHEYFM-NWDGAFQWSA-N 2 0 254.378 -0.999 20 0 CBADRP CN(C(=O)CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C1CC1 ZINC001246107517 825636099 /nfs/dbraw/zinc/63/60/99/825636099.db2.gz BYIUBYTWFJKZGL-LLVKDONJSA-N 2 0 266.389 -0.319 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246119662 825637460 /nfs/dbraw/zinc/63/74/60/825637460.db2.gz XBUXRKARIRUJAQ-FVCCEPFGSA-N 2 0 298.456 -0.163 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1COC2(C[NH2+]C2)C1 ZINC001246137769 825638964 /nfs/dbraw/zinc/63/89/64/825638964.db2.gz XBZGGIROSMMBMZ-VXGBXAGGSA-N 3 0 266.389 -0.952 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CN1 ZINC001246134947 825639442 /nfs/dbraw/zinc/63/94/42/825639442.db2.gz VTZFBFBEGPVSQY-BNDIWNMDSA-N 2 0 267.373 -0.132 20 0 CBADRP CCOC(=O)C[C@@]1(N[C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001246133177 825639558 /nfs/dbraw/zinc/63/95/58/825639558.db2.gz UHHZKRVKHPBVEM-OCCSQVGLSA-N 2 0 296.415 -0.645 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(N[C@H]2CC3CC[NH+](CC3)C2)N1 ZINC001246140753 825639956 /nfs/dbraw/zinc/63/99/56/825639956.db2.gz BOKWSWKWSXFWBF-OBJOEFQTSA-N 2 0 264.373 -0.362 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(N[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)N1 ZINC001246143304 825640273 /nfs/dbraw/zinc/64/02/73/825640273.db2.gz HTARJGTUELLFFA-YHMTXAQFSA-N 2 0 250.346 -0.563 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCOC23C[NH2+]C3)CN1 ZINC001246139657 825640289 /nfs/dbraw/zinc/64/02/89/825640289.db2.gz VCMTYCHGFMDFKB-AVGNSLFASA-N 2 0 297.399 -0.362 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCOC23C[NH2+]C3)CN1 ZINC001246139656 825640395 /nfs/dbraw/zinc/64/03/95/825640395.db2.gz VCMTYCHGFMDFKB-AGIUHOORSA-N 2 0 297.399 -0.362 20 0 CBADRP O=C1C[C@@H](NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CN1 ZINC001246138249 825640458 /nfs/dbraw/zinc/64/04/58/825640458.db2.gz BAIANKWSDMAFBO-WDEREUQCSA-N 2 0 252.362 -0.661 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@]2(NC2CCC3(CC2)C[NH2+]CCO3)N1 ZINC001246140764 825640564 /nfs/dbraw/zinc/64/05/64/825640564.db2.gz BRUWKCSKSHYDEI-NREAYKGKSA-N 2 0 294.399 -0.545 20 0 CBADRP C[C@@H]1CC(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)C[C@@H](C)[NH2+]1 ZINC001246144503 825640907 /nfs/dbraw/zinc/64/09/07/825640907.db2.gz MPMSYVDLTBKDFD-RUSTZOOPSA-N 2 0 252.362 -0.317 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@@H]1C[C@H]3C[NH2+]C[C@H]3C1)CCN2 ZINC001246145603 825641040 /nfs/dbraw/zinc/64/10/40/825641040.db2.gz PSJDRVBCEFWFPM-QNWHQSFQSA-N 3 0 250.390 -0.332 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(N[C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)N1 ZINC001246144360 825641068 /nfs/dbraw/zinc/64/10/68/825641068.db2.gz KSHPUPIOOJBDHZ-FTEPDLOASA-N 2 0 250.346 -0.848 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@]3(CC[NH2+]C3)C2)CN1 ZINC001246149315 825641313 /nfs/dbraw/zinc/64/13/13/825641313.db2.gz SHWADMFJNCZPPI-MNXVOIDGSA-N 2 0 283.372 -0.609 20 0 CBADRP C[N@@H+]1CCC[C@H](N[C@@]23CC[NH2+][C@H]2CC(=O)N3)CC1 ZINC001246147899 825641598 /nfs/dbraw/zinc/64/15/98/825641598.db2.gz MJGCJUZCCJTXQN-GMXVVIOVSA-N 2 0 252.362 -0.362 20 0 CBADRP C([NH2+][C@@H]1CCOC2(C[NH2+]C2)C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246150573 825642038 /nfs/dbraw/zinc/64/20/38/825642038.db2.gz WLPTWXGIVWKKNV-ZIAGYGMSSA-N 3 0 294.443 -0.029 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001246151052 825642107 /nfs/dbraw/zinc/64/21/07/825642107.db2.gz VMNQXPBFZFPNOB-RQJABVFESA-N 3 0 280.416 -0.706 20 0 CBADRP CC[C@@H]1C[C@H](N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)CC[NH2+]1 ZINC001246152050 825642606 /nfs/dbraw/zinc/64/26/06/825642606.db2.gz OBCGASFGNYRRQY-PRULPYPASA-N 2 0 252.362 -0.315 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CN1 ZINC001246156858 825643638 /nfs/dbraw/zinc/64/36/38/825643638.db2.gz PBCWCYASMMIISZ-FPYNETTCSA-N 2 0 283.372 -0.896 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2COC3(C2)CC[NH2+]CC3)CN1 ZINC001246168601 825644387 /nfs/dbraw/zinc/64/43/87/825644387.db2.gz DZOZJKSQXMMQLZ-UPJWGTAASA-N 2 0 297.399 -0.219 20 0 CBADRP O=c1[nH][nH]cc1CCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246173254 825644688 /nfs/dbraw/zinc/64/46/88/825644688.db2.gz KRMUGLRAPMBNNA-QWRGUYRKSA-N 2 0 265.361 -0.818 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@H+](C)CC2)CN1 ZINC001246182811 825646782 /nfs/dbraw/zinc/64/67/82/825646782.db2.gz AAEABULWUNIFQB-UTUOFQBUSA-N 2 0 255.362 -0.036 20 0 CBADRP NC(=O)c1ccc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246182727 825646815 /nfs/dbraw/zinc/64/68/15/825646815.db2.gz BRFDNQVCCCZQFL-CYBMUJFWSA-N 2 0 274.368 -0.031 20 0 CBADRP CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246184301 825647211 /nfs/dbraw/zinc/64/72/11/825647211.db2.gz JJVXHVVKEUQWOM-QWHCGFSZSA-N 2 0 266.389 -0.319 20 0 CBADRP NC(=O)[C@@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246193968 825647821 /nfs/dbraw/zinc/64/78/21/825647821.db2.gz WXMYVRJEDXXCBA-OLZOCXBDSA-N 2 0 274.368 -0.103 20 0 CBADRP CC1(CC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)OCCO1 ZINC001246193551 825648711 /nfs/dbraw/zinc/64/87/11/825648711.db2.gz HATSNYBFFXWMRB-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP Cc1ncc(CO)c(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)c1O ZINC001246206342 825649214 /nfs/dbraw/zinc/64/92/14/825649214.db2.gz ZOZULKPRCLYODL-LBPRGKRZSA-N 2 0 292.383 -0.228 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CCN1 ZINC001246200140 825649708 /nfs/dbraw/zinc/64/97/08/825649708.db2.gz OQFGBGDNBBUSAJ-UTUOFQBUSA-N 2 0 255.362 -0.131 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1NC1CC[NH2+]CC1 ZINC001246198175 825649727 /nfs/dbraw/zinc/64/97/27/825649727.db2.gz DIMWYSBNZPMTAI-VXGBXAGGSA-N 2 0 255.362 -0.131 20 0 CBADRP COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@H]1CCC[NH2+]C1 ZINC001246210326 825650351 /nfs/dbraw/zinc/65/03/51/825650351.db2.gz HMFYBXXWPHCMGU-UWVGGRQHSA-N 2 0 271.365 -0.867 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)CN1 ZINC001246209411 825650687 /nfs/dbraw/zinc/65/06/87/825650687.db2.gz HSVUMCDMRIXNOO-RHYQMDGZSA-N 2 0 255.362 -0.132 20 0 CBADRP COCCOCCOCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246207880 825650816 /nfs/dbraw/zinc/65/08/16/825650816.db2.gz QOFHICPEODVJHI-ZDUSSCGKSA-N 2 0 287.404 -0.650 20 0 CBADRP CO[C@@H]1COCC[C@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246209262 825650783 /nfs/dbraw/zinc/65/07/83/825650783.db2.gz GPPAVALVBVBSPO-QJPTWQEYSA-N 2 0 255.362 -0.526 20 0 CBADRP COC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246206391 825651122 /nfs/dbraw/zinc/65/11/22/825651122.db2.gz ZMPGFMXKAQGUJQ-RYUDHWBXSA-N 2 0 284.404 -0.659 20 0 CBADRP CC1(C)O[C@@H]2[C@@H](O)C[C@@H]([NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)[C@@H]2O1 ZINC001246219400 825651754 /nfs/dbraw/zinc/65/17/54/825651754.db2.gz YRORMUQAXHXMJZ-NAWOPXAZSA-N 2 0 297.399 -0.677 20 0 CBADRP O=C1CC[C@H](C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CN1 ZINC001246216976 825651809 /nfs/dbraw/zinc/65/18/09/825651809.db2.gz CRRIOGUTIMZXLG-MNOVXSKESA-N 2 0 252.362 -0.804 20 0 CBADRP COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246212436 825651831 /nfs/dbraw/zinc/65/18/31/825651831.db2.gz LYXYXCNDCFJPQG-MXWKQRLJSA-N 2 0 285.392 -0.479 20 0 CBADRP COC(=O)[C@@H](N)CCCNC(=[NH2+])NC1CC[NH2+]CC1 ZINC001246213822 825651864 /nfs/dbraw/zinc/65/18/64/825651864.db2.gz PVPNWUOZECMNJP-JTQLQIEISA-N 2 0 271.365 -0.867 20 0 CBADRP C1C([NH2+]C2C[C@@H]3COC[C@H](C2)N3)CN1C1CC[NH2+]CC1 ZINC001246213389 825651917 /nfs/dbraw/zinc/65/19/17/825651917.db2.gz FPMWATREHBVELP-YHWZYXNKSA-N 2 0 280.416 -0.468 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+]C1CN(C3CC[NH2+]CC3)C1)CCN2 ZINC001246214600 825652333 /nfs/dbraw/zinc/65/23/33/825652333.db2.gz JOEUIBHHRKLYMZ-GFCCVEGCSA-N 3 0 279.432 -0.894 20 0 CBADRP O=S1(=O)CC2(CC([NH2+][C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246219685 825652658 /nfs/dbraw/zinc/65/26/58/825652658.db2.gz ZPXJZSQODBSGKA-JTQLQIEISA-N 2 0 285.413 -0.753 20 0 CBADRP FC1(F)CNC[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246220559 825652974 /nfs/dbraw/zinc/65/29/74/825652974.db2.gz DPLSIQOKMVMICW-UWVGGRQHSA-N 2 0 260.332 -0.333 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1COCCC13OCCO3)CCN2 ZINC001246219993 825653121 /nfs/dbraw/zinc/65/31/21/825653121.db2.gz BUMCLWDEICUAEF-RYUDHWBXSA-N 2 0 283.372 -0.798 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[NH2+]C[C@@H]2F)CN1 ZINC001246221226 825653161 /nfs/dbraw/zinc/65/31/61/825653161.db2.gz JPDSPQFTCPTUFQ-RHYQMDGZSA-N 2 0 273.352 -0.183 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@@H]1COCCC13OCCO3)CCN2 ZINC001246219992 825653199 /nfs/dbraw/zinc/65/31/99/825653199.db2.gz BUMCLWDEICUAEF-NWDGAFQWSA-N 2 0 283.372 -0.798 20 0 CBADRP F[C@@H]1C[NH2+]CC[C@@H]1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246223588 825653484 /nfs/dbraw/zinc/65/34/84/825653484.db2.gz RSPQDHSCLKPVBF-GRYCIOLGSA-N 3 0 256.369 -0.382 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](O)C2CC[NH2+]CC2)CN1 ZINC001246232659 825654318 /nfs/dbraw/zinc/65/43/18/825654318.db2.gz XHIXRLVCUPKHRH-AVGNSLFASA-N 2 0 285.388 -0.770 20 0 CBADRP O=S1(=O)CC[C@@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246236301 825654388 /nfs/dbraw/zinc/65/43/88/825654388.db2.gz VKGJAWMTRPIPNS-WDEREUQCSA-N 2 0 273.402 -0.895 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CN1 ZINC001246229946 825654515 /nfs/dbraw/zinc/65/45/15/825654515.db2.gz KCGUJOCOAVNZEZ-TUAOUCFPSA-N 2 0 255.362 -0.131 20 0 CBADRP CC(C)C[C@@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246231111 825654547 /nfs/dbraw/zinc/65/45/47/825654547.db2.gz CEXKBHJCRNESRZ-WDEREUQCSA-N 2 0 254.378 -0.430 20 0 CBADRP C[N@@H+]1CCCN(CC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246241598 825655421 /nfs/dbraw/zinc/65/54/21/825655421.db2.gz STPGKCHLEIMRGN-AWEZNQCLSA-N 3 0 281.448 -0.693 20 0 CBADRP CC[NH+](CC)CCN(CC[NH3+])[C@@H]1CN[C@H](C(=O)OC)C1 ZINC001246237490 825655653 /nfs/dbraw/zinc/65/56/53/825655653.db2.gz CBAKBHGUCONUSR-STQMWFEESA-N 2 0 286.420 -0.508 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CO[C@]3(C2)CCC[NH2+]C3)CN1 ZINC001246255455 825656182 /nfs/dbraw/zinc/65/61/82/825656182.db2.gz KJPLNOGHJRCPIO-MNXVOIDGSA-N 2 0 283.372 -0.609 20 0 CBADRP [NH3+][C@@H](CO)Cc1cncn1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246251875 825656566 /nfs/dbraw/zinc/65/65/66/825656566.db2.gz UIOJKBRVYUTPPF-MNOVXSKESA-N 2 0 265.361 -0.988 20 0 CBADRP O[C@H](C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(F)(F)F ZINC001246256323 825656634 /nfs/dbraw/zinc/65/66/34/825656634.db2.gz OFPLYOXANPPFEE-JGVFFNPUSA-N 2 0 253.268 -0.407 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CCOC3(CC[NH2+]CC3)C2)CN1 ZINC001246256017 825657087 /nfs/dbraw/zinc/65/70/87/825657087.db2.gz MSFUFCSLPITSNC-XQQFMLRXSA-N 2 0 297.399 -0.219 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)CN1 ZINC001246248914 825657119 /nfs/dbraw/zinc/65/71/19/825657119.db2.gz PPXZPYHHKQJDNH-AGIUHOORSA-N 2 0 297.399 -0.362 20 0 CBADRP FC(F)(F)C1(N[C@H]2CCNC3(C[NH2+]C3)C2)C[NH2+]C1 ZINC001246255622 825657147 /nfs/dbraw/zinc/65/71/47/825657147.db2.gz WUWVOLSGPFJWMI-QMMMGPOBSA-N 2 0 264.295 -0.426 20 0 CBADRP COc1ccc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)nn1 ZINC001246263891 825657801 /nfs/dbraw/zinc/65/78/01/825657801.db2.gz VDPRWNBDRNJRAN-SNVBAGLBSA-N 2 0 263.345 -0.331 20 0 CBADRP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246279298 825658838 /nfs/dbraw/zinc/65/88/38/825658838.db2.gz MLSGTDHPIPXFFP-VXGBXAGGSA-N 2 0 252.362 -0.709 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCCN(C)CCC[NH3+])CN1 ZINC001246282595 825658873 /nfs/dbraw/zinc/65/88/73/825658873.db2.gz DZFNCAMMZXYTPT-OLZOCXBDSA-N 2 0 286.420 -0.460 20 0 CBADRP [NH3+]CCOCCOCCOCCN[C@@H]1CCC[NH2+]C1 ZINC001246284193 825659054 /nfs/dbraw/zinc/65/90/54/825659054.db2.gz HDCMLXKPMRKDSA-CYBMUJFWSA-N 2 0 275.393 -0.664 20 0 CBADRP O=C(C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1cccnc1 ZINC001246282405 825659578 /nfs/dbraw/zinc/65/95/78/825659578.db2.gz SILSFTTXOHCJHK-GFCCVEGCSA-N 2 0 260.341 -0.052 20 0 CBADRP COC(=O)C1(N[C@@H]2CCC[NH2+]C2)CC[NH+](C)CC1 ZINC001246291832 825660211 /nfs/dbraw/zinc/66/02/11/825660211.db2.gz OHZRAUIPHFXBEN-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP O[C@H]1CCCN(CC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246312915 825663190 /nfs/dbraw/zinc/66/31/90/825663190.db2.gz CTSCHOCLJTXNLA-OLZOCXBDSA-N 2 0 268.405 -0.873 20 0 CBADRP OC[C@@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1ccccn1 ZINC001246306965 825663251 /nfs/dbraw/zinc/66/32/51/825663251.db2.gz CIZDTXPXSJXPJM-WCQYABFASA-N 2 0 262.357 -0.201 20 0 CBADRP COC(=O)CC1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCOCC1 ZINC001246325436 825664011 /nfs/dbraw/zinc/66/40/11/825664011.db2.gz JBZFSCJZJHTZIY-GFCCVEGCSA-N 2 0 297.399 -0.218 20 0 CBADRP CN(C)C(=O)N1CCC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246327572 825664556 /nfs/dbraw/zinc/66/45/56/825664556.db2.gz SVQSHUWBOONBIV-CYBMUJFWSA-N 2 0 295.431 -0.184 20 0 CBADRP CSCC[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246348514 825666535 /nfs/dbraw/zinc/66/65/35/825666535.db2.gz HYOSVQAWDACSFR-UWVGGRQHSA-N 2 0 272.418 -0.723 20 0 CBADRP CCOC(=O)C1=C(N[C@@H]2CCOC3(C[NH2+]C3)C2)C[NH2+]C1 ZINC001246347482 825666748 /nfs/dbraw/zinc/66/67/48/825666748.db2.gz CJMZXFDROCWULC-SNVBAGLBSA-N 2 0 281.356 -0.483 20 0 CBADRP CCOC(=O)C1=C(N[C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C[NH2+]C1 ZINC001246352884 825667759 /nfs/dbraw/zinc/66/77/59/825667759.db2.gz UPQWFYRKYFPKSL-URLYPYJESA-N 2 0 265.357 -0.006 20 0 CBADRP CCC(=O)N1CC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246353835 825667975 /nfs/dbraw/zinc/66/79/75/825667975.db2.gz UTOZYNKBZXMMRY-RYUDHWBXSA-N 2 0 266.389 -0.319 20 0 CBADRP O=C(C1CC1)N1CC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246354666 825668336 /nfs/dbraw/zinc/66/83/36/825668336.db2.gz YJPYVAPIBQDNQI-OLZOCXBDSA-N 2 0 278.400 -0.319 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C2CCN([C@@H]3CC[NH2+]C3)CC2)CN1 ZINC001246370705 825669887 /nfs/dbraw/zinc/66/98/87/825669887.db2.gz GEWDGHGHGJGOEW-MJBXVCDLSA-N 2 0 296.415 -0.694 20 0 CBADRP COCCC1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246395058 825670662 /nfs/dbraw/zinc/67/06/62/825670662.db2.gz VIUNCJLDSBDLEL-CYBMUJFWSA-N 3 0 282.432 -0.171 20 0 CBADRP [NH3+]CCNCC[NH2+][C@@H]1CCN[C@H](C(F)(F)F)C1 ZINC001246406247 825671799 /nfs/dbraw/zinc/67/17/99/825671799.db2.gz SLNUBVSCTYIWQR-BDAKNGLRSA-N 2 0 254.300 -0.193 20 0 CBADRP O=C1C=CC(=O)N1CCCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246420992 825672726 /nfs/dbraw/zinc/67/27/26/825672726.db2.gz NTHLMYQYKGJYRZ-GFCCVEGCSA-N 2 0 292.383 -0.625 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246417705 825672815 /nfs/dbraw/zinc/67/28/15/825672815.db2.gz ONGMHVCCZVDVQY-MNOVXSKESA-N 3 0 270.377 -0.920 20 0 CBADRP CCOC(=O)[C@H](N)C[NH2+][C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246416415 825672968 /nfs/dbraw/zinc/67/29/68/825672968.db2.gz JLCJREYAWPJKEU-DTWKUNHWSA-N 2 0 259.375 -0.686 20 0 CBADRP CC(=O)N1CCC[C@@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)C1 ZINC001246416773 825672975 /nfs/dbraw/zinc/67/29/75/825672975.db2.gz LSXLDDKWENGDBF-NEPJUHHUSA-N 2 0 270.377 -0.430 20 0 CBADRP [NH3+]CCCNCCC[NH2+]C1C[C@@H]2COC[C@H](C1)N2 ZINC001246451408 825673568 /nfs/dbraw/zinc/67/35/68/825673568.db2.gz GGLXIXVLVVJIDL-YHWZYXNKSA-N 2 0 256.394 -0.576 20 0 CBADRP CC[C@@]1(C(=O)OC)C[C@@H]([NH2+]CCCNCCC[NH3+])CN1 ZINC001246453417 825674102 /nfs/dbraw/zinc/67/41/02/825674102.db2.gz NULWZIAUAZFPEZ-OCCSQVGLSA-N 2 0 286.420 -0.412 20 0 CBADRP O=C(C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)NCC(F)(F)F ZINC001246462233 825675392 /nfs/dbraw/zinc/67/53/92/825675392.db2.gz GSUXJZPNODDNIC-QMMMGPOBSA-N 2 0 280.294 -0.652 20 0 CBADRP CC(=O)OCN1CCC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246465285 825675430 /nfs/dbraw/zinc/67/54/30/825675430.db2.gz MBQBCUQDSMQWSL-CQSZACIVSA-N 2 0 296.415 -0.345 20 0 CBADRP COC[C@@H]1C[C@@H](N[C@@H]2CCNC3(C[NH2+]C3)C2)C[NH2+]1 ZINC001246468309 825675845 /nfs/dbraw/zinc/67/58/45/825675845.db2.gz WXKNIZZBBLFVGO-UTUOFQBUSA-N 2 0 254.378 -0.953 20 0 CBADRP COC(=O)[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CN1 ZINC001246478207 825676235 /nfs/dbraw/zinc/67/62/35/825676235.db2.gz UTLDJQDHLMSJQM-ZRUFSTJUSA-N 2 0 259.325 -0.573 20 0 CBADRP C([NH2+]C1CCC2(CC1)C[NH2+]CCO2)[C@@H]1CNCCN1 ZINC001246486721 825677504 /nfs/dbraw/zinc/67/75/04/825677504.db2.gz FBCTXMHHVRYHMB-MOKVOYLWSA-N 2 0 268.405 -0.561 20 0 CBADRP CC[NH+](CC)CCNC(=[NH2+])N[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246495323 825677651 /nfs/dbraw/zinc/67/76/51/825677651.db2.gz ODJPFHDVYZLRFZ-LBPRGKRZSA-N 3 0 282.436 -0.464 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCN(C(C)=O)CC1 ZINC001246513507 825678553 /nfs/dbraw/zinc/67/85/53/825678553.db2.gz SNVJTRMUXIWHLN-ZDUSSCGKSA-N 2 0 284.404 -0.170 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C2CC2)C2C[NH2+]C2)CN1 ZINC001246517807 825678636 /nfs/dbraw/zinc/67/86/36/825678636.db2.gz MUXJHEKVEBWQOP-FRRDWIJNSA-N 2 0 267.373 -0.132 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246511492 825678720 /nfs/dbraw/zinc/67/87/20/825678720.db2.gz IYYLZEGODGYPLK-WOPDTQHZSA-N 2 0 256.394 -0.040 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H](C2CCC2)C2C[NH2+]C2)CN1 ZINC001246513333 825678938 /nfs/dbraw/zinc/67/89/38/825678938.db2.gz CURKNEFFSFKDAG-AGIUHOORSA-N 2 0 267.373 -0.132 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C1C[C@@H]2COC[C@H](C1)N2 ZINC001246510579 825679063 /nfs/dbraw/zinc/67/90/63/825679063.db2.gz DPLMNOZJAVRSTL-WVMKXHBISA-N 2 0 284.404 -0.661 20 0 CBADRP C[C@@H]1C[C@@H](n2cnc(C[C@H]([NH3+])C(N)=O)c2)CC[NH2+]1 ZINC001246525008 825680131 /nfs/dbraw/zinc/68/01/31/825680131.db2.gz QTHGFJZEBWOVAA-MIMYLULJSA-N 2 0 251.334 -0.449 20 0 CBADRP C1OCC1N1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246533122 825681168 /nfs/dbraw/zinc/68/11/68/825681168.db2.gz BZMOVVBTLXAYES-GFCCVEGCSA-N 2 0 266.389 -0.903 20 0 CBADRP C[C@@]1([NH3+])CCN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C1 ZINC001246526341 825681386 /nfs/dbraw/zinc/68/13/86/825681386.db2.gz ASTAULIGYMPAHK-NTZNESFSSA-N 2 0 284.429 -0.327 20 0 CBADRP C[NH+](C)CCN1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246532074 825681880 /nfs/dbraw/zinc/68/18/80/825681880.db2.gz WDHNUKIVHFWOAZ-CQSZACIVSA-N 3 0 281.448 -0.740 20 0 CBADRP C1CC1N1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246536054 825681894 /nfs/dbraw/zinc/68/18/94/825681894.db2.gz SEDOMMSBTNKSOB-ZDUSSCGKSA-N 2 0 250.390 -0.140 20 0 CBADRP [NH3+]CC1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC1 ZINC001246537707 825682321 /nfs/dbraw/zinc/68/23/21/825682321.db2.gz KKLDZCVFKIXRLT-STQMWFEESA-N 2 0 298.456 -0.080 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)CN1 ZINC001246542355 825682506 /nfs/dbraw/zinc/68/25/06/825682506.db2.gz JWRDBNPKSSBNMP-NTZNESFSSA-N 2 0 271.361 -0.934 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)CN1 ZINC001246546983 825682657 /nfs/dbraw/zinc/68/26/57/825682657.db2.gz BPSKRAGGZBKEGZ-DYEKYZERSA-N 2 0 285.388 -0.544 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)CCN1 ZINC001246544372 825682875 /nfs/dbraw/zinc/68/28/75/825682875.db2.gz RESXEMLZLZOVRB-MBNYWOFBSA-N 2 0 285.388 -0.544 20 0 CBADRP [NH3+]C[C@@]1(O)CCC[N@@H+]([C@H]2CCOC3(C[NH2+]C3)C2)CC1 ZINC001246541312 825682994 /nfs/dbraw/zinc/68/29/94/825682994.db2.gz FTBUVZRAOZVZSQ-QWHCGFSZSA-N 3 0 269.389 -0.317 20 0 CBADRP C[C@H]1CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@H]1C[NH3+] ZINC001246543070 825683165 /nfs/dbraw/zinc/68/31/65/825683165.db2.gz SGKDOTSPSGWEOA-RNJOBUHISA-N 2 0 298.456 -0.224 20 0 CBADRP CC(=O)N1CC[C@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)C1 ZINC001246546080 825683471 /nfs/dbraw/zinc/68/34/71/825683471.db2.gz YCMVKOADZUHVRC-QWHCGFSZSA-N 2 0 255.362 -0.217 20 0 CBADRP CC[C@]1(C(=O)OC)C[C@@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)CN1 ZINC001246556443 825684175 /nfs/dbraw/zinc/68/41/75/825684175.db2.gz ZYWUUDSYMPUJAO-BPLDGKMQSA-N 2 0 299.415 -0.154 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)CN1 ZINC001246556247 825684488 /nfs/dbraw/zinc/68/44/88/825684488.db2.gz FASVCIKBCSFUAO-YDHLFZDLSA-N 2 0 299.415 -0.154 20 0 CBADRP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246559307 825685539 /nfs/dbraw/zinc/68/55/39/825685539.db2.gz ODSYCISGYZCFMS-IJLUTSLNSA-N 2 0 271.361 -0.982 20 0 CBADRP COC(=O)C1C[C@@H]2CC(N3C[C@@H]([NH3+])[C@H](O)C3)C[C@H](C1)[NH2+]2 ZINC001246557701 825686132 /nfs/dbraw/zinc/68/61/32/825686132.db2.gz OARCEBIQKDIHBM-OFICFQTKSA-N 2 0 283.372 -0.938 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)CN1 ZINC001246558546 825686336 /nfs/dbraw/zinc/68/63/36/825686336.db2.gz MDGHYMBWSCEIKO-OBJOEFQTSA-N 2 0 285.388 -0.544 20 0 CBADRP [NH3+]C[C@@]1(O)CCCC[N@@H+]([C@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246560019 825686490 /nfs/dbraw/zinc/68/64/90/825686490.db2.gz ORUIRXLNCKNOFQ-STQMWFEESA-N 3 0 269.389 -0.317 20 0 CBADRP O[C@]1(CF)CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1F ZINC001246572017 825687535 /nfs/dbraw/zinc/68/75/35/825687535.db2.gz CTUUHUAKAFYTIU-GVXVVHGQSA-N 2 0 275.343 -0.175 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+](C2CCC3(CC2)OCCO3)C[C@H]1O ZINC001246576427 825688937 /nfs/dbraw/zinc/68/89/37/825688937.db2.gz FVXPPBXWSCDZEA-CMPLNLGQSA-N 2 0 256.346 -0.077 20 0 CBADRP C[C@@]1(O)CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1F ZINC001246577041 825688969 /nfs/dbraw/zinc/68/89/69/825688969.db2.gz QIKUHJPWQVDQNK-GRYCIOLGSA-N 2 0 257.353 -0.125 20 0 CBADRP [NH3+][C@H]1CN([C@@H]2CCNC3(C[NH2+]C3)C2)CC(F)(F)C1 ZINC001246575542 825689541 /nfs/dbraw/zinc/68/95/41/825689541.db2.gz QDXRRCLDOCSNQA-NXEZZACHSA-N 2 0 260.332 -0.251 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCN3C(=O)CC[C@H]3C2)C[C@H]1O ZINC001246579329 825689633 /nfs/dbraw/zinc/68/96/33/825689633.db2.gz ILHKFOFJUJUYTE-FIQHERPVSA-N 2 0 253.346 -0.609 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCC[C@@H](n3ncnn3)C2)C[C@H]1O ZINC001246580770 825690485 /nfs/dbraw/zinc/69/04/85/825690485.db2.gz OVOADNQPNRZOBA-NNYUYHANSA-N 2 0 266.349 -0.592 20 0 CBADRP N[C@@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1F ZINC001246583640 825690693 /nfs/dbraw/zinc/69/06/93/825690693.db2.gz IAQUDPJZUUMNNR-GRYCIOLGSA-N 2 0 256.369 -0.158 20 0 CBADRP CCOC(=O)CN1CCC([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246583023 825691180 /nfs/dbraw/zinc/69/11/80/825691180.db2.gz IINSDDATVPFERH-WCQYABFASA-N 2 0 285.388 -0.735 20 0 CBADRP CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246580670 825691207 /nfs/dbraw/zinc/69/12/07/825691207.db2.gz NETQMOQDPJUOGV-YFKTTZPYSA-N 2 0 256.346 -0.030 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH+]2CCC(CC[NH3+])CC2)CN1 ZINC001246581098 825691265 /nfs/dbraw/zinc/69/12/65/825691265.db2.gz PGEHAEOSIBMHSE-RYUDHWBXSA-N 2 0 255.362 -0.049 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCN3CCOC[C@@H]3C1)CCN2 ZINC001246595636 825692156 /nfs/dbraw/zinc/69/21/56/825692156.db2.gz OYKKWYUVXUJSQB-OLZOCXBDSA-N 2 0 266.389 -0.903 20 0 CBADRP COC(=O)[C@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246595525 825692190 /nfs/dbraw/zinc/69/21/90/825692190.db2.gz SYRKRZMYIJFTQL-WDEREUQCSA-N 2 0 253.346 -0.425 20 0 CBADRP C[C@@]1(O)COCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246593960 825692655 /nfs/dbraw/zinc/69/26/55/825692655.db2.gz UNJCVEZBIPTYTO-NEPJUHHUSA-N 2 0 255.362 -0.836 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246590934 825692885 /nfs/dbraw/zinc/69/28/85/825692885.db2.gz BGBMHLPZRMNCJU-NEPJUHHUSA-N 2 0 254.378 -0.999 20 0 CBADRP O=S1(=O)CC[C@H](N2CCNC3(CC[NH2+]CC3)C2)C1 ZINC001246600124 825693983 /nfs/dbraw/zinc/69/39/83/825693983.db2.gz FLXTWOUAFRRNPI-NSHDSACASA-N 2 0 273.402 -0.799 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH+]1CCC3(CC1)C[NH2+]CCO3)CCN2 ZINC001246605337 825694081 /nfs/dbraw/zinc/69/40/81/825694081.db2.gz UAULRPNDNOIAFF-CYBMUJFWSA-N 3 0 280.416 -0.465 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1[C@@H]1CCCC[NH2+]C1 ZINC001246598814 825694091 /nfs/dbraw/zinc/69/40/91/825694091.db2.gz ORBLNFIUXKUMSK-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C1CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@]2(CC[NH2+]C2)CN1 ZINC001246618193 825695544 /nfs/dbraw/zinc/69/55/44/825695544.db2.gz JHVBGTKTNRCKHI-IIKSMHAQSA-N 2 0 264.373 -0.567 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CCO[C@@]3(CCC[NH2+]C3)C1)CCN2 ZINC001246622736 825696382 /nfs/dbraw/zinc/69/63/82/825696382.db2.gz RVTQKUIJGSMYBR-DZGCQCFKSA-N 2 0 280.416 -0.465 20 0 CBADRP C1[NH2+]CC12CC[C@@H](N1CCNC[C@]13CC[NH2+]C3)C2 ZINC001246624455 825696605 /nfs/dbraw/zinc/69/66/05/825696605.db2.gz NBENOWFBBVOTOF-TZMCWYRMSA-N 2 0 250.390 -0.234 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CCNC[C@@]13CC[NH2+]C3)CCO2 ZINC001246623725 825696626 /nfs/dbraw/zinc/69/66/26/825696626.db2.gz KJBOSDFTVRUDSV-STQMWFEESA-N 2 0 266.389 -0.855 20 0 CBADRP C1C[C@]2(C[NH2+]1)CNCCN2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246625856 825696666 /nfs/dbraw/zinc/69/66/66/825696666.db2.gz QFELOTOAVPKQLW-PIGZVRMJSA-N 2 0 250.390 -0.093 20 0 CBADRP C1CC(N2CCO[C@@]3(C2)C[NH2+]CCOC3)CC[NH2+]1 ZINC001246624861 825696725 /nfs/dbraw/zinc/69/67/25/825696725.db2.gz CVHXXLBDSFZPKT-CYBMUJFWSA-N 2 0 255.362 -0.571 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246620507 825696857 /nfs/dbraw/zinc/69/68/57/825696857.db2.gz JVVDFIOFNRCNIX-MBYGNEARSA-N 2 0 253.346 -0.284 20 0 CBADRP C1C[C@H]2CC(N3CCO[C@@]4(C3)C[NH2+]CCOC4)C[C@@H]1[NH2+]2 ZINC001246624158 825697025 /nfs/dbraw/zinc/69/70/25/825697025.db2.gz CJKGRLXGIAPDCR-IZGVIRRGSA-N 2 0 281.400 -0.040 20 0 CBADRP C1C[C@@]2(C[NH2+]1)CNCCN2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246625858 825697129 /nfs/dbraw/zinc/69/71/29/825697129.db2.gz QFELOTOAVPKQLW-QNMSZWNNSA-N 2 0 250.390 -0.093 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCN[C@H]3CC[NH2+]CC[C@@H]31)CCN2 ZINC001246619823 825697198 /nfs/dbraw/zinc/69/71/98/825697198.db2.gz UITRGGOOORKQAU-RDBSUJKOSA-N 3 0 279.432 -0.894 20 0 CBADRP C1CC[C@@]2(C[NH2+]CCN(C3C[C@@H]4COC[C@H](C3)[NH2+]4)C2)NC1 ZINC001246631361 825698341 /nfs/dbraw/zinc/69/83/41/825698341.db2.gz RZSWHBHXRFIMJH-QXULXFAOSA-N 2 0 294.443 -0.077 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@@H]3NCCO[C@H]3C1)CCN2 ZINC001246635471 825699095 /nfs/dbraw/zinc/69/90/95/825699095.db2.gz VAEXEDVVZCHINR-AGIUHOORSA-N 2 0 266.389 -0.857 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCC3(C2)CC[NH2+]CC3)CN1 ZINC001246636127 825699394 /nfs/dbraw/zinc/69/93/94/825699394.db2.gz CRRIUCSPQUOBEG-NEPJUHHUSA-N 2 0 267.373 -0.035 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CCOCC13CC[NH2+]CC3)CCN2 ZINC001246642261 825700394 /nfs/dbraw/zinc/70/03/94/825700394.db2.gz HQXBKTPXBJWQRD-ZDUSSCGKSA-N 2 0 280.416 -0.465 20 0 CBADRP C1[NH2+]CC12CC[C@H]([N@@H+]1CCN[C@]3(CC[NH2+]C3)C1)C2 ZINC001246641468 825700925 /nfs/dbraw/zinc/70/09/25/825700925.db2.gz IIWRWDBWRBYZEY-JSGCOSHPSA-N 3 0 250.390 -0.234 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH+]2CCC3(CC[NH2+]C3)CC2)CN1 ZINC001246642772 825701384 /nfs/dbraw/zinc/70/13/84/825701384.db2.gz OZMNGUGHSGPRGQ-RYUDHWBXSA-N 2 0 267.373 -0.035 20 0 CBADRP OC[C@@]12C[NH2+]C[C@@H]1CN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246648243 825702153 /nfs/dbraw/zinc/70/21/53/825702153.db2.gz XCEZGHDPLBLJHZ-YIPFDTCYSA-N 2 0 251.374 -0.217 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCC[C@@]3(CNCCO3)C1)CCN2 ZINC001246645115 825703020 /nfs/dbraw/zinc/70/30/20/825703020.db2.gz BCJBQUJMCVRFJS-UKRRQHHQSA-N 2 0 280.416 -0.465 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CC[C@@H]3[NH2+]CC[C@@H]3C1)CCN2 ZINC001246661500 825703964 /nfs/dbraw/zinc/70/39/64/825703964.db2.gz RHEOVAXQFVXSQG-UPJWGTAASA-N 2 0 250.390 -0.236 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CC[C@H]3[NH2+]CC[C@@H]3C1)CCN2 ZINC001246661497 825704013 /nfs/dbraw/zinc/70/40/13/825704013.db2.gz RHEOVAXQFVXSQG-FRRDWIJNSA-N 2 0 250.390 -0.236 20 0 CBADRP O=C1CCC[C@@]2(C[NH2+]CCN(C3CC[NH2+]CC3)C2)N1 ZINC001246655179 825704201 /nfs/dbraw/zinc/70/42/01/825704201.db2.gz XWECCKXXHRJKPT-AWEZNQCLSA-N 2 0 266.389 -0.318 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@H](C3C[NH2+]C3)C2)CN1 ZINC001246680251 825706487 /nfs/dbraw/zinc/70/64/87/825706487.db2.gz SQLGFHXCZYPIIZ-WCQGTBRESA-N 2 0 253.346 -0.569 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)CN1 ZINC001246682388 825706533 /nfs/dbraw/zinc/70/65/33/825706533.db2.gz CEOOVTFMROIYCJ-GEJOOGBSSA-N 2 0 295.383 -0.657 20 0 CBADRP O=C(C1CCN([C@@H]2CCC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC001246679208 825706808 /nfs/dbraw/zinc/70/68/08/825706808.db2.gz ZCSHAIYCYISVEI-CQSZACIVSA-N 2 0 280.416 -0.118 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)CN1[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246688305 825706881 /nfs/dbraw/zinc/70/68/81/825706881.db2.gz FVFJMQDNOLHBJT-RNJOBUHISA-N 2 0 298.456 -0.068 20 0 CBADRP O=C1NCC[C@]12CCC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246703012 825708082 /nfs/dbraw/zinc/70/80/82/825708082.db2.gz HHHMVAKESYIYOM-JSGCOSHPSA-N 2 0 278.400 -0.318 20 0 CBADRP CNC(=O)CN1CCO[C@H]2C[N@@H+]([C@H]3CC[NH2+][C@@H](C)C3)C[C@H]21 ZINC001246730389 825708214 /nfs/dbraw/zinc/70/82/14/825708214.db2.gz KGBNYCFEIWTTDZ-FQUUOJAGSA-N 2 0 296.415 -0.742 20 0 CBADRP CN(C)C(=O)CN1C(=O)C[C@H]2[C@@H]1CC[N@H+]2C1CC[NH2+]CC1 ZINC001246746249 825708640 /nfs/dbraw/zinc/70/86/40/825708640.db2.gz HCXNMRSAKRFJIG-STQMWFEESA-N 2 0 294.399 -0.498 20 0 CBADRP COC1C[C@@H]2COC[C@H](C1)[N@@H+]2[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246761062 825708832 /nfs/dbraw/zinc/70/88/32/825708832.db2.gz RXWBAZNJMBDILR-HABKJSAYSA-N 2 0 281.400 -0.041 20 0 CBADRP COCCN1C[C@@H]2C[N@@H+](C3CC[NH2+]CC3)C[C@@H]2C1=O ZINC001246753574 825709006 /nfs/dbraw/zinc/70/90/06/825709006.db2.gz GOFBDIRQYLXZKW-YPMHNXCESA-N 2 0 267.373 -0.225 20 0 CBADRP CCO[C@@H]1C[C@H]2CN([C@H]3CCNC4(C[NH2+]C4)C3)CC[N@@H+]2C1 ZINC001246737060 825709546 /nfs/dbraw/zinc/70/95/46/825709546.db2.gz AHYORNRPQLNBNW-SOUVJXGZSA-N 2 0 294.443 -0.125 20 0 CBADRP C[NH2+]CC1CC[NH+]([C@H]2CN[C@H](C(=O)OC)C2)CC1 ZINC001246781183 825710769 /nfs/dbraw/zinc/71/07/69/825710769.db2.gz NRKNUYNCSVHLPP-NEPJUHHUSA-N 2 0 255.362 -0.179 20 0 CBADRP CC1(C)C(=O)NCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246788759 825710812 /nfs/dbraw/zinc/71/08/12/825710812.db2.gz IZEYYVSQIWFGHI-JTQLQIEISA-N 2 0 252.362 -0.709 20 0 CBADRP CC(=O)N(C)C1C[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246797267 825711315 /nfs/dbraw/zinc/71/13/15/825711315.db2.gz NPNZAKROXFCRKV-NSHDSACASA-N 2 0 252.362 -0.757 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246801017 825713079 /nfs/dbraw/zinc/71/30/79/825713079.db2.gz DJKSKMFRZWUPMT-KKOKHZNYSA-N 2 0 255.362 -0.051 20 0 CBADRP Cn1cc2c(n1)CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246801847 825713105 /nfs/dbraw/zinc/71/31/05/825713105.db2.gz HHNGCTOIIZNJTB-GFCCVEGCSA-N 2 0 261.373 -0.128 20 0 CBADRP CN1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246799194 825713336 /nfs/dbraw/zinc/71/33/36/825713336.db2.gz XALVQRBABQQOAX-NSHDSACASA-N 2 0 252.362 -0.756 20 0 CBADRP CCOC(=O)C1C[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246799904 825713714 /nfs/dbraw/zinc/71/37/14/825713714.db2.gz UXIUNLRWLHKKQT-NSHDSACASA-N 2 0 253.346 -0.425 20 0 CBADRP CC[NH+]1CCC(N2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001246818699 825714873 /nfs/dbraw/zinc/71/48/73/825714873.db2.gz DCVRTCVUOAEOBM-UHFFFAOYSA-N 3 0 283.464 -0.445 20 0 CBADRP CCOC(=O)[C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246814171 825715096 /nfs/dbraw/zinc/71/50/96/825715096.db2.gz ODHDAIDJBXHFBR-VXGBXAGGSA-N 2 0 283.372 -0.656 20 0 CBADRP CC(=O)N1CCC(N2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001246821101 825716041 /nfs/dbraw/zinc/71/60/41/825716041.db2.gz LKIFQQFDIARENQ-UHFFFAOYSA-N 2 0 297.447 -0.918 20 0 CBADRP C1CC2(C1)C[C@@H](N1CC[NH2+]CCNCC[NH2+]CC1)CC[NH2+]2 ZINC001246820646 825716255 /nfs/dbraw/zinc/71/62/55/825716255.db2.gz KSDZURJAMSFNCS-HNNXBMFYSA-N 3 0 295.475 -0.255 20 0 CBADRP CN(C1C[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)C1)[C@@H]1CCOC1 ZINC001246820812 825716532 /nfs/dbraw/zinc/71/65/32/825716532.db2.gz QITMQBFVSDUILR-QWHCGFSZSA-N 2 0 280.416 -0.515 20 0 CBADRP C[NH+]1CCC(N2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001246819686 825716569 /nfs/dbraw/zinc/71/65/69/825716569.db2.gz HLGVHFFVKTUVME-UHFFFAOYSA-N 3 0 269.437 -0.835 20 0 CBADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH2+]CCNCC[NH2+]CC1)C2 ZINC001246820104 825716690 /nfs/dbraw/zinc/71/66/90/825716690.db2.gz JJRMIKRQHUHGQJ-ZSHCYNCHSA-N 3 0 295.475 -0.304 20 0 CBADRP C1C[C@H]2C[C@@H](N3CC[NH2+]CCNCC[NH2+]CC3)C[C@@H]1[NH2+]2 ZINC001246822977 825717029 /nfs/dbraw/zinc/71/70/29/825717029.db2.gz UDPAORXJNIBZAO-FICVDOATSA-N 3 0 281.448 -0.646 20 0 CBADRP CC[N@@H+]1CC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246822680 825717422 /nfs/dbraw/zinc/71/74/22/825717422.db2.gz SHUBEASNTMGHOW-AWEZNQCLSA-N 3 0 269.437 -0.835 20 0 CBADRP C1C[C@H]2CC([NH+]3CCNCC[NH2+]CCNCC3)C[C@@H]1O2 ZINC001246824593 825717572 /nfs/dbraw/zinc/71/75/72/825717572.db2.gz ZGEKHQDYVRQEEC-GOOCMWNKSA-N 2 0 282.432 -0.219 20 0 CBADRP C1CSC[C@H]([NH+]2CCNCC[NH2+]CCNCC2)C1 ZINC001246824594 825718051 /nfs/dbraw/zinc/71/80/51/825718051.db2.gz ZHXIORIRTYHGFV-CYBMUJFWSA-N 2 0 272.462 -0.034 20 0 CBADRP F[C@H]1CCN(C2C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246825089 825718073 /nfs/dbraw/zinc/71/80/73/825718073.db2.gz UBOLOGSZBWKGOY-RYUDHWBXSA-N 2 0 268.380 -0.192 20 0 CBADRP O=C1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@H]2CCCN12 ZINC001246838586 825719486 /nfs/dbraw/zinc/71/94/86/825719486.db2.gz YMOLTIDMXCKVBM-VXGBXAGGSA-N 2 0 264.373 -0.613 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([N@H+](C)CCN2CC[NH+](C)CC2)CN1 ZINC001246847717 825720376 /nfs/dbraw/zinc/72/03/76/825720376.db2.gz LXCJAAFETQAAFK-KBPBESRZSA-N 2 0 298.431 -0.541 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246843188 825721420 /nfs/dbraw/zinc/72/14/20/825721420.db2.gz BHGRKXCNLPHCLQ-NEPJUHHUSA-N 2 0 266.389 -0.367 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](N2CC3(C2)CCC[NH2+]CC3)CN1 ZINC001246854658 825722252 /nfs/dbraw/zinc/72/22/52/825722252.db2.gz QFYSLZPVMKYRIR-NEPJUHHUSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[NH+]1CCC(N2CC[NH2+]C[C@H]2C(=O)OC)CC1 ZINC001246858034 825722303 /nfs/dbraw/zinc/72/23/03/825722303.db2.gz ZHVBHLZKXJLQBL-LBPRGKRZSA-N 2 0 255.362 -0.083 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246856939 825722595 /nfs/dbraw/zinc/72/25/95/825722595.db2.gz JVVDFIOFNRCNIX-USZNOCQGSA-N 2 0 253.346 -0.284 20 0 CBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@@H]3CNC(=O)C3)C[C@H]1C2 ZINC001246859675 825723649 /nfs/dbraw/zinc/72/36/49/825723649.db2.gz QLRJVTGRIWGIQM-KYSMWIMPSA-N 2 0 293.367 -0.795 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246864251 825724449 /nfs/dbraw/zinc/72/44/49/825724449.db2.gz SFQUJHFLBCOPSB-STQMWFEESA-N 2 0 268.405 -0.657 20 0 CBADRP c1cc(N2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)ncn1 ZINC001246865266 825724606 /nfs/dbraw/zinc/72/46/06/825724606.db2.gz SPSJIFSZRRHUQQ-ZDUSSCGKSA-N 2 0 288.399 -0.307 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)CN1 ZINC001246869924 825725462 /nfs/dbraw/zinc/72/54/62/825725462.db2.gz JDMKKJYLYAFRPR-KGLIPLIRSA-N 2 0 298.431 -0.493 20 0 CBADRP COC(=O)C[C@H]1COCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246869135 825725761 /nfs/dbraw/zinc/72/57/61/825725761.db2.gz FDEHCLLWFZGQFN-RYUDHWBXSA-N 2 0 283.372 -0.656 20 0 CBADRP O=C1COC2(CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)CN1 ZINC001246881737 825727646 /nfs/dbraw/zinc/72/76/46/825727646.db2.gz VVYHTOROUOJXLW-LBPRGKRZSA-N 2 0 294.399 -0.939 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](N3CC([NH3+])C3)C2)CN1 ZINC001246872257 825727973 /nfs/dbraw/zinc/72/79/73/825727973.db2.gz QDCLCHJCQXVXAY-IHRRRGAJSA-N 2 0 296.415 -0.613 20 0 CBADRP CCN(CC[NH2+]C)[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246890761 825728330 /nfs/dbraw/zinc/72/83/30/825728330.db2.gz LPZINMMQALLXEY-RYUDHWBXSA-N 2 0 286.445 -0.209 20 0 CBADRP CC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246894071 825728876 /nfs/dbraw/zinc/72/88/76/825728876.db2.gz NCQUIEFKPWOZGW-NEPJUHHUSA-N 2 0 252.362 -0.709 20 0 CBADRP OC1([C@H]2CCCC[NH2+]2)CN([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246900728 825729131 /nfs/dbraw/zinc/72/91/31/825729131.db2.gz TZERYZUSLYCXQS-CHWSQXEVSA-N 2 0 280.416 -0.731 20 0 CBADRP COC(=O)[C@@H]1CC[C@H](N2CCC[NH2+]CCC2)CN1 ZINC001246906552 825729700 /nfs/dbraw/zinc/72/97/00/825729700.db2.gz RFTICJSCRJVYIX-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP COC(=O)CNC(=O)[C@@H]1CCCN1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246910850 825729796 /nfs/dbraw/zinc/72/97/96/825729796.db2.gz MJTDSYXVWTYTCL-WOPDTQHZSA-N 2 0 283.372 -0.120 20 0 CBADRP COC[C@H]1COCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246914462 825730208 /nfs/dbraw/zinc/73/02/08/825730208.db2.gz LIPHPUPCGDDOSB-NEPJUHHUSA-N 2 0 255.362 -0.572 20 0 CBADRP C[C@H]1CC[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C[NH2+]1 ZINC001246922115 825731615 /nfs/dbraw/zinc/73/16/15/825731615.db2.gz VBQYDYJFHYNERM-QWHCGFSZSA-N 3 0 285.436 -0.757 20 0 CBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@H]1CCCC[NH2+]C1 ZINC001246918897 825731632 /nfs/dbraw/zinc/73/16/32/825731632.db2.gz HHOUUFONWUIAPB-ZDUSSCGKSA-N 3 0 285.436 -0.756 20 0 CBADRP COC(=O)[C@H]1CN(C2C[C@@H]3C=C[C@H](C2)[NH2+]3)C[C@H]1[NH3+] ZINC001246930482 825732342 /nfs/dbraw/zinc/73/23/42/825732342.db2.gz AYYDFRXWSPXHHV-JQYRIEHKSA-N 2 0 251.330 -0.523 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246925500 825732700 /nfs/dbraw/zinc/73/27/00/825732700.db2.gz XVZGCUCCFJNLTA-GFCCVEGCSA-N 2 0 284.404 -0.706 20 0 CBADRP COC(=O)[C@@H]1C[N@@H+]([C@H]2CCC3(C[NH2+]C3)C2)C[C@H]1N ZINC001246929430 825733026 /nfs/dbraw/zinc/73/30/26/825733026.db2.gz CYDLIQQXFJBKEP-HBNTYKKESA-N 2 0 253.346 -0.439 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246925504 825733110 /nfs/dbraw/zinc/73/31/10/825733110.db2.gz XVZGCUCCFJNLTA-LBPRGKRZSA-N 2 0 284.404 -0.706 20 0 CBADRP C[NH2+]CC[C@@H](C)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246925709 825733298 /nfs/dbraw/zinc/73/32/98/825733298.db2.gz OSRNHSZYFKKCQU-GFCCVEGCSA-N 3 0 273.425 -0.900 20 0 CBADRP C[NH+]1CCN(C2C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)CC1 ZINC001246933514 825734471 /nfs/dbraw/zinc/73/44/71/825734471.db2.gz IYGPNPFUFXTDRI-ZDUSSCGKSA-N 3 0 279.432 -0.988 20 0 CBADRP FC(F)(F)[C@H]1C[NH2+]CCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246985719 825739310 /nfs/dbraw/zinc/73/93/10/825739310.db2.gz BVESJHVBAGNXOC-NXEZZACHSA-N 2 0 278.322 -0.084 20 0 CBADRP C[NH+](C)CCN([C@H]1CNC(=O)C1)[C@@H]1CCC[NH2+]C1 ZINC001246987576 825739555 /nfs/dbraw/zinc/73/95/55/825739555.db2.gz MPPSWQKUURQOOC-VXGBXAGGSA-N 2 0 254.378 -0.510 20 0 CBADRP CC[NH+]1C[C@@H]2C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2C1 ZINC001246981108 825739721 /nfs/dbraw/zinc/73/97/21/825739721.db2.gz UTNHMDPVHHXQBL-MGPQQGTHSA-N 3 0 264.417 -0.036 20 0 CBADRP COC(=O)[C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1C ZINC001246993073 825740336 /nfs/dbraw/zinc/74/03/36/825740336.db2.gz SQFXHHWFWOGRAX-SRVKXCTJSA-N 2 0 267.373 -0.179 20 0 CBADRP C[NH+](C)CCN([C@@H]1CCC[NH2+]C1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246992206 825740401 /nfs/dbraw/zinc/74/04/01/825740401.db2.gz YOBBFLCZDLFPDN-LSDHHAIUSA-N 3 0 295.475 -0.304 20 0 CBADRP FC(F)(F)[C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246993746 825740878 /nfs/dbraw/zinc/74/08/78/825740878.db2.gz UCUFGSFANPHZEB-VHSXEESVSA-N 2 0 278.322 -0.084 20 0 CBADRP CN1CCC2(C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1=O ZINC001246999525 825741290 /nfs/dbraw/zinc/74/12/90/825741290.db2.gz JUNOWZNAYRRGHJ-NSHDSACASA-N 2 0 264.373 -0.756 20 0 CBADRP COC(=O)[C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1C ZINC001246993075 825741360 /nfs/dbraw/zinc/74/13/60/825741360.db2.gz SQFXHHWFWOGRAX-TUAOUCFPSA-N 2 0 267.373 -0.179 20 0 CBADRP COC(=O)[C@]1(C)CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001247001857 825742666 /nfs/dbraw/zinc/74/26/66/825742666.db2.gz MBBOISBJLAMGQG-WCQYABFASA-N 2 0 267.373 -0.035 20 0 CBADRP O[C@@]1(c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)CC[NH2+]C1 ZINC001248738905 825746701 /nfs/dbraw/zinc/74/67/01/825746701.db2.gz APERQHGKALZNNK-AWEZNQCLSA-N 2 0 287.323 -0.042 20 0 CBADRP COc1cc(OC)c(-c2noc(C[C@@H](N)C[NH3+])n2)cn1 ZINC001249128641 825748370 /nfs/dbraw/zinc/74/83/70/825748370.db2.gz MIZMWECVAPFPGT-SSDOTTSWSA-N 2 0 279.300 -0.023 20 0 CBADRP COC(=O)[C@@H]1CN(C)CCN1C(=S)NCC[NH+](C)C ZINC001249837054 825749504 /nfs/dbraw/zinc/74/95/04/825749504.db2.gz PLDSIFFWOPGJGU-JTQLQIEISA-N 2 0 288.417 -0.789 20 0 CBADRP CC[C@@H](O)C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001251777955 825788245 /nfs/dbraw/zinc/78/82/45/825788245.db2.gz IWDGAYDXRJPVKG-GFCCVEGCSA-N 2 0 257.378 -0.147 20 0 CBADRP CCOC[C@H](O)C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001252029453 825812389 /nfs/dbraw/zinc/81/23/89/825812389.db2.gz QOWOMKAIBZJNKH-CYBMUJFWSA-N 2 0 259.394 -0.437 20 0 CBADRP CC[NH+](CC)CCN1CC[NH+](C[C@H](O)CO)CC1 ZINC001252053804 825817673 /nfs/dbraw/zinc/81/76/73/825817673.db2.gz YMYZGAUONQSAPW-ZDUSSCGKSA-N 2 0 259.394 -0.701 20 0 CBADRP COC(=O)[C@@H](O)C[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001252447450 825864720 /nfs/dbraw/zinc/86/47/20/825864720.db2.gz ABHDQRHKDVNUNX-LBPRGKRZSA-N 2 0 272.345 -0.779 20 0 CBADRP CC(C)OC[C@@H](O)C[NH2+]CCN1CC[NH+](C)CC1 ZINC001252689057 825883844 /nfs/dbraw/zinc/88/38/44/825883844.db2.gz NGEFQWKDYHPNNL-ZDUSSCGKSA-N 2 0 259.394 -0.391 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@H]1CCNC(=O)C1 ZINC001253175231 825901782 /nfs/dbraw/zinc/90/17/82/825901782.db2.gz GVVYQOCCNNZKBR-NWDGAFQWSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@H]1CCC(=O)NC1 ZINC001253206713 825905256 /nfs/dbraw/zinc/90/52/56/825905256.db2.gz RGQKSGMWGCNOPS-NEPJUHHUSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H]1CCCNC(=O)C1 ZINC001253215431 825906911 /nfs/dbraw/zinc/90/69/11/825906911.db2.gz XPBGCMASHUOTPR-NEPJUHHUSA-N 2 0 257.378 -0.053 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C[C@H](O)C[NH2+]C(C)(C)C)CCO1 ZINC001253390423 825911669 /nfs/dbraw/zinc/91/16/69/825911669.db2.gz SSPGRRFMFAWWHW-CHWSQXEVSA-N 2 0 273.421 -0.002 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C[C@@H]1CCC(=O)NC1 ZINC001253405365 825913419 /nfs/dbraw/zinc/91/34/19/825913419.db2.gz XLHWAGAPRIPLRI-QWRGUYRKSA-N 2 0 257.378 -0.149 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H]1CCCNC(=O)C1 ZINC001253411818 825914956 /nfs/dbraw/zinc/91/49/56/825914956.db2.gz XODZBWONBOXHPP-MNOVXSKESA-N 2 0 257.378 -0.006 20 0 CBADRP CCOC(=O)C[C@H](O)C[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001253809235 825933654 /nfs/dbraw/zinc/93/36/54/825933654.db2.gz XNAQPSKDJRGRLI-ZDUSSCGKSA-N 2 0 287.404 -0.472 20 0 CBADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)C[NH3+])CC1=O ZINC001254226376 825946276 /nfs/dbraw/zinc/94/62/76/825946276.db2.gz BLPCTNQFYQWEDB-ZJUUUORDSA-N 2 0 287.360 -0.178 20 0 CBADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H](O)C[NH3+])CC1=O ZINC001254226375 825946320 /nfs/dbraw/zinc/94/63/20/825946320.db2.gz BLPCTNQFYQWEDB-VHSXEESVSA-N 2 0 287.360 -0.178 20 0 CBADRP C[N@@H+]1CCC[C@H]([NH2+]CCN2C(=O)C=CC2=O)CC1 ZINC001254503724 825963685 /nfs/dbraw/zinc/96/36/85/825963685.db2.gz OXCZIIZYUOQMTI-NSHDSACASA-N 2 0 251.330 -0.015 20 0 CBADRP OCC[NH+](CCO)CCCN[C@H]1CC2CC[NH+](CC2)C1 ZINC001254836535 825969844 /nfs/dbraw/zinc/96/98/44/825969844.db2.gz MNLUZOLQZHXFJF-HNNXBMFYSA-N 2 0 285.432 -0.263 20 0 CBADRP OCC[NH+](CCO)CCCNC1CC[NH+](C2CC2)CC1 ZINC001256066466 826001399 /nfs/dbraw/zinc/00/13/99/826001399.db2.gz DYZLSVSCNNGPSM-UHFFFAOYSA-N 2 0 285.432 -0.121 20 0 CBADRP C[C@H](CC(=O)N1CCOCC1)NC(=[NH2+])NCCCC[NH3+] ZINC001256322213 826009082 /nfs/dbraw/zinc/00/90/82/826009082.db2.gz ZNKQASSKYQNAMG-LLVKDONJSA-N 2 0 285.392 -0.523 20 0 CBADRP [NH3+]C[C@@H](O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256849350 826035100 /nfs/dbraw/zinc/03/51/00/826035100.db2.gz WPPMNEZALKCXOJ-CYBMUJFWSA-N 3 0 250.346 -0.040 20 0 CBADRP CC(C)[NH+]1CCC(NCCN(CC[NH3+])N(O)N=O)CC1 ZINC001257211371 826040711 /nfs/dbraw/zinc/04/07/11/826040711.db2.gz IUMWWLRXJKWTOH-UHFFFAOYSA-N 2 0 288.396 -0.003 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001261378614 826509343 /nfs/dbraw/zinc/50/93/43/826509343.db2.gz FDIAPIYXEWPEHH-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC001261460258 826516889 /nfs/dbraw/zinc/51/68/89/826516889.db2.gz XQVPVXUKRCUYNO-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NC2CCC([NH3+])CC2)nn1 ZINC001261460485 826517191 /nfs/dbraw/zinc/51/71/91/826517191.db2.gz GBAFGWNQVBXASH-UHFFFAOYSA-N 2 0 266.349 -0.373 20 0 CBADRP CC(C)[C@H](O)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001261482405 826521414 /nfs/dbraw/zinc/52/14/14/826521414.db2.gz LFFYLNILZJCDPK-QWHCGFSZSA-N 2 0 259.394 -0.799 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC001261527186 826533289 /nfs/dbraw/zinc/53/32/89/826533289.db2.gz JAMYUXJMMLJHPB-LBPRGKRZSA-N 2 0 256.394 -0.134 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001261634099 826549342 /nfs/dbraw/zinc/54/93/42/826549342.db2.gz YIWXMPFWFPJWAB-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001261823867 826590891 /nfs/dbraw/zinc/59/08/91/826590891.db2.gz LFCAHRFTZFHWEH-RWMBFGLXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC2)C[C@H]1C[NH+](C)C ZINC001261855403 826599468 /nfs/dbraw/zinc/59/94/68/826599468.db2.gz SPFBUTZBEBOCIM-CHWSQXEVSA-N 2 0 296.415 -0.584 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1CC12CC(C1)C[NH2+]2 ZINC001261903756 826606263 /nfs/dbraw/zinc/60/62/63/826606263.db2.gz JRZPADFVMQZQMZ-AKJDGMEZSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CCCO1 ZINC001262008492 826618149 /nfs/dbraw/zinc/61/81/49/826618149.db2.gz OJLKJFPZGDVMAG-AXFHLTTASA-N 2 0 259.325 -0.490 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@H]([NH3+])CCOC)CC1 ZINC001262035182 826626854 /nfs/dbraw/zinc/62/68/54/826626854.db2.gz BAIHXQJDICFXRT-CYBMUJFWSA-N 2 0 287.404 -0.033 20 0 CBADRP C[C@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C(C)(C)C[NH+](C)C ZINC001262067051 826629977 /nfs/dbraw/zinc/62/99/77/826629977.db2.gz REVAEHSIHOJYHT-SDDRHHMPSA-N 2 0 298.431 -0.068 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001262066819 826630335 /nfs/dbraw/zinc/63/03/35/826630335.db2.gz LMIVIPXLXWZHFA-AVGNSLFASA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001262071361 826631596 /nfs/dbraw/zinc/63/15/96/826631596.db2.gz XTNFFGMNGZFWIL-SRVKXCTJSA-N 2 0 282.388 -0.608 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262073468 826632406 /nfs/dbraw/zinc/63/24/06/826632406.db2.gz SIXDERXRTGXFGT-TUAOUCFPSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1CC(=O)N1CC[NH2+]CC1 ZINC001262195246 826657111 /nfs/dbraw/zinc/65/71/11/826657111.db2.gz UYDJBIDTFCIQSL-GRYCIOLGSA-N 2 0 254.378 -0.511 20 0 CBADRP C([C@@H]1CC2(C[NH2+]C2)CO1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001262195397 826657423 /nfs/dbraw/zinc/65/74/23/826657423.db2.gz ZFFXGEXMOJFHOG-KGLIPLIRSA-N 3 0 280.416 -0.656 20 0 CBADRP c1nc2n(n1)[C@@H](CN1CC[NH2+]CC[NH2+]CC1)CC2 ZINC001262195227 826657430 /nfs/dbraw/zinc/65/74/30/826657430.db2.gz UHWKCQMVQCMNSV-LLVKDONJSA-N 2 0 250.350 -0.740 20 0 CBADRP CC[N@@H+]1CCC[C@H](CNS(=O)(=O)C2C[NH2+]C2)C1 ZINC001262196155 826658762 /nfs/dbraw/zinc/65/87/62/826658762.db2.gz ZOHLMLFKGRUKJY-SNVBAGLBSA-N 2 0 261.391 -0.391 20 0 CBADRP CN(CCc1nnnn1C)C1(C[NH3+])CCOCC1 ZINC001262486374 826693309 /nfs/dbraw/zinc/69/33/09/826693309.db2.gz RXALKFSMDLFVMW-UHFFFAOYSA-N 2 0 254.338 -0.808 20 0 CBADRP CN1CC[C@@H]1CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001262499475 826695365 /nfs/dbraw/zinc/69/53/65/826695365.db2.gz LXTCQOMLDJKTKG-CHWSQXEVSA-N 2 0 294.399 -0.497 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC001262542361 826703118 /nfs/dbraw/zinc/70/31/18/826703118.db2.gz YNRZGXHYROGICC-NDBYEHHHSA-N 2 0 296.415 -0.171 20 0 CBADRP C[N@H+]1CC=C(C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001262567104 826709642 /nfs/dbraw/zinc/70/96/42/826709642.db2.gz JBXDSSCZHTVRSP-KBPBESRZSA-N 2 0 270.373 -0.260 20 0 CBADRP C[N@H+]1CC=C(C[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001262567105 826709974 /nfs/dbraw/zinc/70/99/74/826709974.db2.gz JBXDSSCZHTVRSP-KGLIPLIRSA-N 2 0 270.373 -0.260 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CO1 ZINC001262566964 826710553 /nfs/dbraw/zinc/71/05/53/826710553.db2.gz FVECNJQWWKNRNC-UPJWGTAASA-N 2 0 257.378 -0.638 20 0 CBADRP [NH3+]CCNC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001262583693 826712393 /nfs/dbraw/zinc/71/23/93/826712393.db2.gz GRTBWABPZRVYML-SNVBAGLBSA-N 2 0 256.350 -0.597 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCCCN1CC[NH2+]CC1 ZINC001262583862 826712593 /nfs/dbraw/zinc/71/25/93/826712593.db2.gz KUKVFPUSHCEEDZ-VXGBXAGGSA-N 2 0 269.393 -0.811 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)N[C@@H](C)C[NH+](C)C ZINC001262582297 826712743 /nfs/dbraw/zinc/71/27/43/826712743.db2.gz RBYUQHDISHMDMB-WDEREUQCSA-N 2 0 258.366 -0.434 20 0 CBADRP O=C(NCC[NH2+]C1CC1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001262583876 826712849 /nfs/dbraw/zinc/71/28/49/826712849.db2.gz LBCVVZJRHUIZOQ-KGLIPLIRSA-N 2 0 296.415 -0.021 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001262586912 826713490 /nfs/dbraw/zinc/71/34/90/826713490.db2.gz OIWGMMRIPPMYCC-UWVGGRQHSA-N 2 0 256.350 -0.728 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H](C)C[NH3+] ZINC001262584447 826714082 /nfs/dbraw/zinc/71/40/82/826714082.db2.gz BUCBXEGNICNOJH-GHMZBOCLSA-N 2 0 258.366 -0.399 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCN1CCC([NH3+])CC1 ZINC001262588569 826714906 /nfs/dbraw/zinc/71/49/06/826714906.db2.gz IYFRTYOKXAHEDV-CMPLNLGQSA-N 2 0 269.393 -0.541 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001262589040 826715072 /nfs/dbraw/zinc/71/50/72/826715072.db2.gz WPDXYXRMGBKDJF-RKDXNWHRSA-N 2 0 298.309 -0.247 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC001262600768 826717233 /nfs/dbraw/zinc/71/72/33/826717233.db2.gz LJKIDYLZEZSGQY-NHCYSSNCSA-N 2 0 256.350 -0.911 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001262599802 826717360 /nfs/dbraw/zinc/71/73/60/826717360.db2.gz JLCCVSZZUKFEGD-NNYUYHANSA-N 2 0 268.361 -0.491 20 0 CBADRP CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001263062201 826731528 /nfs/dbraw/zinc/73/15/28/826731528.db2.gz NLOZMBNMQWRVPF-VXGBXAGGSA-N 2 0 254.378 -0.510 20 0 CBADRP CC[NH+](CC)CCCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001263092526 826735004 /nfs/dbraw/zinc/73/50/04/826735004.db2.gz WRUVZIBNVOZKJC-WCQYABFASA-N 2 0 257.378 -0.053 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001263099568 826736210 /nfs/dbraw/zinc/73/62/10/826736210.db2.gz OBVSXDVUGJPDHV-GHMZBOCLSA-N 2 0 255.362 -0.315 20 0 CBADRP C[C@@]1(C(=O)NCCCC[NH+]2CCOCC2)C[C@H](O)C[NH2+]1 ZINC001263095128 826736623 /nfs/dbraw/zinc/73/66/23/826736623.db2.gz DLGKZWVONVFCAY-JSGCOSHPSA-N 2 0 285.388 -0.672 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1C[NH3+])C[NH+]1CCN(C)CC1 ZINC001263103178 826738156 /nfs/dbraw/zinc/73/81/56/826738156.db2.gz RJHSPWYTUAECSI-YNEHKIRRSA-N 2 0 268.405 -0.419 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]([NH3+])C(C)(C)O ZINC001263102641 826738232 /nfs/dbraw/zinc/73/82/32/826738232.db2.gz ATIAIFXDXLIASQ-DVVUODLYSA-N 2 0 255.362 -0.317 20 0 CBADRP CN1CCN(c2cc[nH+]cc2NC(=O)CNCC[NH3+])CC1 ZINC001263103908 826738402 /nfs/dbraw/zinc/73/84/02/826738402.db2.gz PXJVCADLNLLLQE-UHFFFAOYSA-N 2 0 292.387 -0.680 20 0 CBADRP [NH3+]C1CC(CC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC001263107748 826739644 /nfs/dbraw/zinc/73/96/44/826739644.db2.gz DXTAPGVNQPFXIK-WXRRBKDZSA-N 2 0 266.389 -0.380 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N[C@H]2CCC[NH2+]CC2)C1=O ZINC001263106328 826739679 /nfs/dbraw/zinc/73/96/79/826739679.db2.gz SBYKAEJEAXSJHO-NWDGAFQWSA-N 2 0 282.388 -0.558 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCCC[C@H]1CC[NH3+] ZINC001263107800 826739775 /nfs/dbraw/zinc/73/97/75/826739775.db2.gz GKFOYIGVIZBIHP-NWDGAFQWSA-N 2 0 254.378 -0.380 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC001263107802 826739934 /nfs/dbraw/zinc/73/99/34/826739934.db2.gz GKFOYIGVIZBIHP-VXGBXAGGSA-N 2 0 254.378 -0.380 20 0 CBADRP [NH3+]CCNCC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001263153421 826745224 /nfs/dbraw/zinc/74/52/24/826745224.db2.gz LZDNTTOSIDFUSB-RYUDHWBXSA-N 2 0 254.378 -0.332 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)C1 ZINC001263155869 826745242 /nfs/dbraw/zinc/74/52/42/826745242.db2.gz IEJOVRZMLNSISU-JFGNBEQYSA-N 2 0 269.345 -1.000 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001263156356 826745475 /nfs/dbraw/zinc/74/54/75/826745475.db2.gz UJTBEAFVKCEWKG-KWBADKCTSA-N 2 0 251.330 -0.767 20 0 CBADRP O=C(NCC1(O)C[NH2+]C1)[C@H]1C[NH2+]CCC12CCC2 ZINC001263153288 826745517 /nfs/dbraw/zinc/74/55/17/826745517.db2.gz IGAJODOPGHULGE-SNVBAGLBSA-N 2 0 253.346 -0.783 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)C[NH2+]1 ZINC001263167148 826747392 /nfs/dbraw/zinc/74/73/92/826747392.db2.gz BTTAXNNKYCSEAB-NDBYEHHHSA-N 2 0 266.389 -0.369 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)C[NH2+]1 ZINC001263167147 826747411 /nfs/dbraw/zinc/74/74/11/826747411.db2.gz BTTAXNNKYCSEAB-MROQNXINSA-N 2 0 266.389 -0.369 20 0 CBADRP CC1(C)CC[C@H](CNC(=O)C2(C[NH3+])CC(O)C2)[NH2+]C1 ZINC001263171468 826748271 /nfs/dbraw/zinc/74/82/71/826748271.db2.gz RZKDHORSNRQHKO-CDWSIMAYSA-N 2 0 269.389 -0.019 20 0 CBADRP C[C@@]1(C(=O)N2CCC[C@H]([NH2+]CCO)C2)CCC[NH2+]C1 ZINC001263168466 826748341 /nfs/dbraw/zinc/74/83/41/826748341.db2.gz NRQZOZNYYJIJPY-GXTWGEPZSA-N 2 0 269.389 -0.051 20 0 CBADRP [NH3+][C@@H]1CC=C(C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001263169848 826748510 /nfs/dbraw/zinc/74/85/10/826748510.db2.gz ZNTJFENQDVIUNI-NEPJUHHUSA-N 2 0 253.346 -0.393 20 0 CBADRP [NH3+][C@@H]1CC=C(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001263169851 826748519 /nfs/dbraw/zinc/74/85/19/826748519.db2.gz ZNTJFENQDVIUNI-VXGBXAGGSA-N 2 0 253.346 -0.393 20 0 CBADRP C[C@]1(C(=O)N2CCC[C@H]([NH2+]CCO)C2)CCC[NH2+]C1 ZINC001263168467 826748577 /nfs/dbraw/zinc/74/85/77/826748577.db2.gz NRQZOZNYYJIJPY-JSGCOSHPSA-N 2 0 269.389 -0.051 20 0 CBADRP CC(C)CC[C@@H]([NH3+])C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001263174075 826749088 /nfs/dbraw/zinc/74/90/88/826749088.db2.gz QIWUNZWSHPCVLT-MFKMUULPSA-N 2 0 268.361 -0.255 20 0 CBADRP C[C@H](NC(=O)C[C@@]1(O)CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001263175705 826749264 /nfs/dbraw/zinc/74/92/64/826749264.db2.gz JXOZVYKTUMRLCE-FZMZJTMJSA-N 2 0 269.389 -0.005 20 0 CBADRP C[C@H](NC(=O)C[C@]1(O)CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001263175706 826749647 /nfs/dbraw/zinc/74/96/47/826749647.db2.gz JXOZVYKTUMRLCE-SMDDNHRTSA-N 2 0 269.389 -0.005 20 0 CBADRP CC[C@@H](C(=O)N1CC[NH2+]C[C@@H]1CO)[NH+](CC)CC ZINC001263179985 826750979 /nfs/dbraw/zinc/75/09/79/826750979.db2.gz BHZIRFUEPWWBRC-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)C[C@H]1CC[NH3+] ZINC001263189370 826751514 /nfs/dbraw/zinc/75/15/14/826751514.db2.gz TXFLJPGTPBICPC-BBBLOLIVSA-N 2 0 254.334 -0.467 20 0 CBADRP COCC1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC[NH2+]CC1 ZINC001263186543 826751740 /nfs/dbraw/zinc/75/17/40/826751740.db2.gz GKWSCXMWYHNDAS-GHMZBOCLSA-N 2 0 255.362 -0.273 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001263205823 826752612 /nfs/dbraw/zinc/75/26/12/826752612.db2.gz JTKXIUKKBQTWKB-CIQGVGRVSA-N 2 0 269.389 -0.149 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCN1CCC([NH3+])CC1 ZINC001263191840 826753320 /nfs/dbraw/zinc/75/33/20/826753320.db2.gz BSVGGYBOAAMCHG-UHFFFAOYSA-N 3 0 256.394 -0.133 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[C@@H]1C[NH3+] ZINC001263214270 826754925 /nfs/dbraw/zinc/75/49/25/826754925.db2.gz NDXXGKCJPQLLRH-NMKXLXIOSA-N 2 0 267.373 -0.334 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001263239928 826757623 /nfs/dbraw/zinc/75/76/23/826757623.db2.gz YTLQJRCMRDELQV-RKDXNWHRSA-N 2 0 257.334 -0.619 20 0 CBADRP CN1CCN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC[N@H+](C)CC1 ZINC001263245682 826757916 /nfs/dbraw/zinc/75/79/16/826757916.db2.gz QVEKZMNYQKUFRO-RDBSUJKOSA-N 2 0 280.416 -0.452 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)CCC1C[NH2+]C1 ZINC001263252926 826758855 /nfs/dbraw/zinc/75/88/55/826758855.db2.gz FFSPQJANYQLGCU-LBPRGKRZSA-N 2 0 255.362 -0.177 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)CC1CC([NH3+])C1 ZINC001263253912 826759014 /nfs/dbraw/zinc/75/90/14/826759014.db2.gz XNDRRPVZPBWRPQ-HTAVTVPLSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)CN1CC[NH2+]CC1 ZINC001263256008 826759278 /nfs/dbraw/zinc/75/92/78/826759278.db2.gz NSBSHUWPMSPDSI-YPMHNXCESA-N 2 0 252.362 -0.769 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2C[C@H]([NH3+])C23CCC3)C[C@@H](O)C[NH2+]1 ZINC001263264021 826760287 /nfs/dbraw/zinc/76/02/87/826760287.db2.gz BCBKYBFMYQTYJN-DTHBNOIPSA-N 2 0 253.346 -0.515 20 0 CBADRP C[C@]1(C(=O)NC[C@@H]2CCC[NH2+]CC2)C[NH2+]CCO1 ZINC001263322774 826763708 /nfs/dbraw/zinc/76/37/08/826763708.db2.gz WHPMWBMVKWAQBF-DGCLKSJQSA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001263335798 826765104 /nfs/dbraw/zinc/76/51/04/826765104.db2.gz QAUGLFOGSWLZCM-WZRBSPASSA-N 2 0 254.378 -0.334 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CCO)C1 ZINC001263918002 826791348 /nfs/dbraw/zinc/79/13/48/826791348.db2.gz MQQLDUIHIDGOQM-NWDGAFQWSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CCOCCO ZINC001264155455 826800509 /nfs/dbraw/zinc/80/05/09/826800509.db2.gz VAJNJBLOJYPHNM-HZSPNIEDSA-N 2 0 299.415 -0.332 20 0 CBADRP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC(N)=O ZINC001265000806 826828712 /nfs/dbraw/zinc/82/87/12/826828712.db2.gz FDBOKUSRUDPLGB-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP CC[C@H](C(=O)NCCC[N@H+](C)CC(=O)NC)[NH+](C)C ZINC001265060079 826842355 /nfs/dbraw/zinc/84/23/55/826842355.db2.gz VOZNITDMQTWFNC-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCCO)C1 ZINC001265501425 826899647 /nfs/dbraw/zinc/89/96/47/826899647.db2.gz KYQQUDCCGFCSBK-HAQNSBGRSA-N 2 0 257.378 -0.053 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001265569843 826905155 /nfs/dbraw/zinc/90/51/55/826905155.db2.gz HDAAPGUUDWQMEU-RWMBFGLXSA-N 2 0 285.388 -0.816 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCOCCO ZINC001265790659 826918776 /nfs/dbraw/zinc/91/87/76/826918776.db2.gz QERYOEPHVCIKEQ-CHWSQXEVSA-N 2 0 287.404 -0.426 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N(C)C ZINC001265818602 826924142 /nfs/dbraw/zinc/92/41/42/826924142.db2.gz NVLCCWZDLAHQEP-JTQLQIEISA-N 2 0 258.366 -0.879 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001265851624 826929372 /nfs/dbraw/zinc/92/93/72/826929372.db2.gz QCHMKRIXBLNSLG-VHSXEESVSA-N 2 0 268.361 -0.950 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC001265852566 826930604 /nfs/dbraw/zinc/93/06/04/826930604.db2.gz FVYHGDLXTFBUIH-ZJUUUORDSA-N 2 0 258.366 -0.704 20 0 CBADRP CNC(=O)C[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001265863066 826931189 /nfs/dbraw/zinc/93/11/89/826931189.db2.gz RDGILBDIIXADPS-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCOCCO ZINC001265864761 826931901 /nfs/dbraw/zinc/93/19/01/826931901.db2.gz WJSQDFGMDLNMBQ-VXGBXAGGSA-N 2 0 273.377 -0.959 20 0 CBADRP CC(C)[C@@H](C(=O)NCCC[N@H+](C)[C@H]1CCNC1=O)[NH+](C)C ZINC001265866328 826932487 /nfs/dbraw/zinc/93/24/87/826932487.db2.gz PDSUEBVYEBIPDV-STQMWFEESA-N 2 0 298.431 -0.101 20 0 CBADRP CCN(C)C(=O)C[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001265974539 826944987 /nfs/dbraw/zinc/94/49/87/826944987.db2.gz ROSWPBNADRGIMM-UHFFFAOYSA-N 2 0 298.431 -0.001 20 0 CBADRP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CCO)C1)[NH+](C)C ZINC001266246712 826963108 /nfs/dbraw/zinc/96/31/08/826963108.db2.gz VLNDGVIWABDKOK-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP O=C(NC[C@H]([NH2+]CCO)C1CC1)C12CC[NH+](CC1)C2 ZINC001266438487 827000167 /nfs/dbraw/zinc/00/01/67/827000167.db2.gz AEMKARBAPJBXLF-LBPRGKRZSA-N 2 0 267.373 -0.441 20 0 CBADRP C[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCO)C2)CC1 ZINC001266546967 827021257 /nfs/dbraw/zinc/02/12/57/827021257.db2.gz BBEMRBJWQAERNP-ZDUSSCGKSA-N 2 0 269.389 -0.099 20 0 CBADRP CN(CCNCc1nncn1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001266660690 827041757 /nfs/dbraw/zinc/04/17/57/827041757.db2.gz PXOIQSAQDJTTLU-LLVKDONJSA-N 2 0 280.376 -0.543 20 0 CBADRP CN(C)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266702221 827055038 /nfs/dbraw/zinc/05/50/38/827055038.db2.gz UDYLVXLCDOKNAD-ZDUSSCGKSA-N 2 0 296.415 -0.536 20 0 CBADRP C[C@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266808589 827070814 /nfs/dbraw/zinc/07/08/14/827070814.db2.gz KQKCPVQSODUPBW-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP COc1nccc(C[NH2+]CCN(C)C(=O)CC[NH+](C)C)n1 ZINC001266827071 827072119 /nfs/dbraw/zinc/07/21/19/827072119.db2.gz HSILPZBSOKYAED-UHFFFAOYSA-N 2 0 295.387 -0.015 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCOCCO ZINC001266939814 827092706 /nfs/dbraw/zinc/09/27/06/827092706.db2.gz OVJMCSLNQCBPCJ-GXTWGEPZSA-N 2 0 299.415 -0.569 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@H](C)C(N)=O ZINC001266968007 827099796 /nfs/dbraw/zinc/09/97/96/827099796.db2.gz RQZYBJJEARQTGG-NXEZZACHSA-N 2 0 258.366 -0.704 20 0 CBADRP C[NH+](C)CCCCC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001267022377 827108664 /nfs/dbraw/zinc/10/86/64/827108664.db2.gz HBCDINRWYRVOFY-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP CN(CC[NH2+]Cc1cnnn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267071335 827113005 /nfs/dbraw/zinc/11/30/05/827113005.db2.gz FKIZMYDKKGSFLN-LLVKDONJSA-N 2 0 280.376 -0.685 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)NC ZINC001267116783 827114233 /nfs/dbraw/zinc/11/42/33/827114233.db2.gz HKMIUAFXZANJQH-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCO ZINC001267159503 827120841 /nfs/dbraw/zinc/12/08/41/827120841.db2.gz ZBYGTMGXAQCISK-RYUDHWBXSA-N 2 0 257.378 -0.195 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCOCCO)C1 ZINC001267299056 827145511 /nfs/dbraw/zinc/14/55/11/827145511.db2.gz WLJCKHXHQGHJGI-UONOGXRCSA-N 2 0 299.415 -0.472 20 0 CBADRP NC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001267306109 827146787 /nfs/dbraw/zinc/14/67/87/827146787.db2.gz RHVHXJUHXZRCEZ-LLVKDONJSA-N 2 0 268.361 -0.994 20 0 CBADRP COC[C@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001267355715 827156204 /nfs/dbraw/zinc/15/62/04/827156204.db2.gz ZCLUQMMPYBMXHH-NEPJUHHUSA-N 2 0 273.377 -0.864 20 0 CBADRP COC[C@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267415272 827167338 /nfs/dbraw/zinc/16/73/38/827167338.db2.gz FJVFJVRDUOWLEU-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[C@@H](C(=O)N(C)CC[NH2+]CC(=O)N(C)C1CC1)[NH+](C)C ZINC001267430166 827169860 /nfs/dbraw/zinc/16/98/60/827169860.db2.gz MFTZVWSUBDPQCV-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP CN(CC[NH2+]C[C@H]1CCc2ncnn21)C(=O)CC[NH+](C)C ZINC001267424459 827169892 /nfs/dbraw/zinc/16/98/92/827169892.db2.gz PTKMFPXHVLDOOG-GFCCVEGCSA-N 2 0 294.403 -0.235 20 0 CBADRP Cc1nccn1CC(=O)N(C)CC[NH2+]C[C@H](C)O ZINC001267469433 827175831 /nfs/dbraw/zinc/17/58/31/827175831.db2.gz PXRXIEFSHWVMGE-JTQLQIEISA-N 2 0 254.334 -0.380 20 0 CBADRP C[C@@H](O)C[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267689597 827199619 /nfs/dbraw/zinc/19/96/19/827199619.db2.gz MZLMHYDGGUDWIK-LLVKDONJSA-N 2 0 269.389 -0.243 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCOCCO)C1 ZINC001267725682 827206989 /nfs/dbraw/zinc/20/69/89/827206989.db2.gz XMEIGJBVVJIOFT-UONOGXRCSA-N 2 0 299.415 -0.330 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCCO)C1 ZINC001267735405 827211412 /nfs/dbraw/zinc/21/14/12/827211412.db2.gz UJBALNXQJIABAI-LBPRGKRZSA-N 2 0 257.378 -0.101 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC(N)=O ZINC001268100293 827257406 /nfs/dbraw/zinc/25/74/06/827257406.db2.gz VFDHYQQOIOGNHF-SNVBAGLBSA-N 2 0 258.366 -0.752 20 0 CBADRP C[C@H](O)C[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001268011746 827240641 /nfs/dbraw/zinc/24/06/41/827240641.db2.gz XXLPJLDNVJEESV-NEPJUHHUSA-N 2 0 269.389 -0.195 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001268100292 827257368 /nfs/dbraw/zinc/25/73/68/827257368.db2.gz VFDHYQQOIOGNHF-JTQLQIEISA-N 2 0 258.366 -0.752 20 0 CBADRP CCN(CC[NH2+]CCn1cncn1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268438929 827327351 /nfs/dbraw/zinc/32/73/51/827327351.db2.gz LHGRLNSEXFRBDJ-CYBMUJFWSA-N 2 0 294.403 -0.190 20 0 CBADRP CCN(CC[NH2+]CC(=O)N(C)C)C(=O)C[NH+]1CCCC1 ZINC001268498083 827344993 /nfs/dbraw/zinc/34/49/93/827344993.db2.gz KGWQZBLOHOMCIT-UHFFFAOYSA-N 2 0 284.404 -0.392 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268556507 827361954 /nfs/dbraw/zinc/36/19/54/827361954.db2.gz PNLXANMCTABWTA-JQSFKPKSSA-N 2 0 296.415 -0.133 20 0 CBADRP C[N@H+](CC(=O)NC/C=C\C[NH2+]CCO)C1CCC1 ZINC001268549476 827363470 /nfs/dbraw/zinc/36/34/70/827363470.db2.gz GUVZDHRLNVSUIF-IHWYPQMZSA-N 2 0 255.362 -0.275 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001268559883 827364029 /nfs/dbraw/zinc/36/40/29/827364029.db2.gz IMAMSQWGGACUCU-SCOBNMCVSA-N 2 0 296.415 -0.146 20 0 CBADRP C[C@@H]([NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001268562471 827364921 /nfs/dbraw/zinc/36/49/21/827364921.db2.gz HMTPUKMYPZSXJM-ZZKXABKFSA-N 2 0 294.399 -0.249 20 0 CBADRP COC[C@@H](O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268557393 827364992 /nfs/dbraw/zinc/36/49/92/827364992.db2.gz VCVCZTRGPGDRPB-OQOSRZTISA-N 2 0 299.415 -0.260 20 0 CBADRP CNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268557074 827365263 /nfs/dbraw/zinc/36/52/63/827365263.db2.gz SMSQJGCQNTVEHE-ITKZLYELSA-N 2 0 282.388 -0.521 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCO ZINC001268557730 827365455 /nfs/dbraw/zinc/36/54/55/827365455.db2.gz XSUHTUQVZBDFSS-AAOUONPWSA-N 2 0 255.362 -0.275 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)C1(C[NH+](C)C)CC1 ZINC001268580865 827370449 /nfs/dbraw/zinc/37/04/49/827370449.db2.gz DDTJAZWGSKZROH-FJOGCWAESA-N 2 0 296.415 -0.275 20 0 CBADRP C[C@H]([NH2+]C/C=C\CNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001268595065 827374769 /nfs/dbraw/zinc/37/47/69/827374769.db2.gz GTLZPMVIKTYNKS-MVZIDQBPSA-N 2 0 296.415 -0.146 20 0 CBADRP C[C@@H]([NH2+]C/C=C\CNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001268595067 827376058 /nfs/dbraw/zinc/37/60/58/827376058.db2.gz GTLZPMVIKTYNKS-VSQXVHSFSA-N 2 0 296.415 -0.146 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)C[NH2+]CCn1cncn1)[NH+](C)C ZINC001268651784 827392048 /nfs/dbraw/zinc/39/20/48/827392048.db2.gz YOFWWMXCEXODDG-VXGBXAGGSA-N 2 0 282.392 -0.287 20 0 CBADRP C[C@H](C[NH2+]CCN1CCCC1=O)NC(=O)CC[NH+](C)C ZINC001268660546 827393793 /nfs/dbraw/zinc/39/37/93/827393793.db2.gz PTHPSZGDOFMZJZ-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H](C[NH2+]CCO)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001268715996 827409630 /nfs/dbraw/zinc/40/96/30/827409630.db2.gz XJDTWKNSLWKHKI-RYUDHWBXSA-N 2 0 273.377 -0.959 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268847236 827430499 /nfs/dbraw/zinc/43/04/99/827430499.db2.gz FZWGCLAGFOEJNE-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+]1CCC(C(=O)NCC2C[NH+](CCOCCO)C2)CC1 ZINC001268873903 827434028 /nfs/dbraw/zinc/43/40/28/827434028.db2.gz BSALJHLXUFEBPD-UHFFFAOYSA-N 2 0 299.415 -0.615 20 0 CBADRP C[C@H]([NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001268916166 827439000 /nfs/dbraw/zinc/43/90/00/827439000.db2.gz ZRRKYFYADBHHAZ-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CN(CCC[NH2+]Cc1ncnn1C)C(=O)C[NH+]1CCCC1 ZINC001268949998 827444281 /nfs/dbraw/zinc/44/42/81/827444281.db2.gz IADCFJMDGZONJY-UHFFFAOYSA-N 2 0 294.403 -0.151 20 0 CBADRP CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C)C(N)=[NH2+] ZINC001268997208 827447170 /nfs/dbraw/zinc/44/71/70/827447170.db2.gz XCLMJFBYDADLMF-RYUDHWBXSA-N 2 0 296.419 -0.952 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+]2CCCO)C1 ZINC001269332293 827494037 /nfs/dbraw/zinc/49/40/37/827494037.db2.gz PSDNFKVCLYPBOT-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@H]1C[NH2+]CCO ZINC001270051582 827544297 /nfs/dbraw/zinc/54/42/97/827544297.db2.gz YRMWHXJVWYQGIG-KBPBESRZSA-N 2 0 281.400 -0.099 20 0 CBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]CCO ZINC001270418601 827565277 /nfs/dbraw/zinc/56/52/77/827565277.db2.gz BFCLKHAWEWECLU-NSHDSACASA-N 2 0 257.378 -0.195 20 0 CBADRP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CCO)C1)[NH+](C)C ZINC001270599755 827581224 /nfs/dbraw/zinc/58/12/24/827581224.db2.gz MSVZRXLPJIVCKW-YPMHNXCESA-N 2 0 257.378 -0.101 20 0 CBADRP CC[N@H+](C)CC(=O)N1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001271085201 827621577 /nfs/dbraw/zinc/62/15/77/827621577.db2.gz VYRUWBDJTLOLTI-UHFFFAOYSA-N 2 0 268.405 -0.356 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001271090648 827621676 /nfs/dbraw/zinc/62/16/76/827621676.db2.gz BIZXGRAVKCNKDL-VHSXEESVSA-N 2 0 258.366 -0.752 20 0 CBADRP C[C@@H](C(=O)N1CC2(CN(CC[NH+](C)C)C2)C1)[NH+](C)C ZINC001271147432 827630224 /nfs/dbraw/zinc/63/02/24/827630224.db2.gz BNPKZZSNROZXFR-LBPRGKRZSA-N 2 0 268.405 -0.358 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001271172130 827671558 /nfs/dbraw/zinc/67/15/58/827671558.db2.gz WYEQQZFXEPFXFX-NWDGAFQWSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3C)CC1 ZINC001271905843 827734375 /nfs/dbraw/zinc/73/43/75/827734375.db2.gz QVGLRHMZFIDXMB-KBPBESRZSA-N 2 0 280.416 -0.071 20 0 CBADRP CN(CC[N@H+](C)CCCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001271977539 827745162 /nfs/dbraw/zinc/74/51/62/827745162.db2.gz PRXDTYHLUYHYKX-LBPRGKRZSA-N 2 0 257.378 -0.147 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]C/C=C/Cl ZINC001272496193 827807035 /nfs/dbraw/zinc/80/70/35/827807035.db2.gz MRTDHLSRIKQGEE-FWCMMDKOSA-N 2 0 275.780 -0.100 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001272534112 827816231 /nfs/dbraw/zinc/81/62/31/827816231.db2.gz FWGGZHXKDXGRIF-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCC2(C[NH+](C)C2)CC1 ZINC001272555154 827821418 /nfs/dbraw/zinc/82/14/18/827821418.db2.gz LFJFWOQPNINKEI-CYBMUJFWSA-N 2 0 280.416 -0.214 20 0 CBADRP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001272828530 827841674 /nfs/dbraw/zinc/84/16/74/827841674.db2.gz AZIBQCFFZDRQQS-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP CN1C[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273030657 827856235 /nfs/dbraw/zinc/85/62/35/827856235.db2.gz NGUGNGDCSHRTRS-AWEZNQCLSA-N 2 0 267.373 -0.081 20 0 CBADRP C[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CC[C@@H](O)C3)C[C@H]2CC1 ZINC001273070028 827861063 /nfs/dbraw/zinc/86/10/63/827861063.db2.gz PPLJJRFUTMRMDR-HZSPNIEDSA-N 2 0 281.400 -0.147 20 0 CBADRP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001273123217 827866343 /nfs/dbraw/zinc/86/63/43/827866343.db2.gz PCKXLVQZHSFOPS-LLVKDONJSA-N 2 0 282.388 -0.687 20 0 CBADRP CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001273122991 827866542 /nfs/dbraw/zinc/86/65/42/827866542.db2.gz LVDWGSIJGJGUFS-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001273121787 827867904 /nfs/dbraw/zinc/86/79/04/827867904.db2.gz CKUVVFOGVASNSV-JTQLQIEISA-N 2 0 268.361 -0.948 20 0 CBADRP NC(=O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001273200725 827874056 /nfs/dbraw/zinc/87/40/56/827874056.db2.gz FXJDBLNRQXVPJZ-UHFFFAOYSA-N 2 0 268.361 -0.804 20 0 CBADRP CCN(CC[NH2+]CCOC)C(=O)[C@@H]1CN(C)CCO1 ZINC001273311048 827889333 /nfs/dbraw/zinc/88/93/33/827889333.db2.gz AQZDFWUYJJFBCX-LBPRGKRZSA-N 2 0 273.377 -0.599 20 0 CBADRP CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]CCCO)C1)[NH+](C)C ZINC001273342670 827890692 /nfs/dbraw/zinc/89/06/92/827890692.db2.gz OWRHEJCBDGVYTP-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CCN(CC[NH2+]CC(N)=O)C(=O)C1CC[NH+](C)CC1 ZINC001273588635 827913789 /nfs/dbraw/zinc/91/37/89/827913789.db2.gz RTKQUMZCLZXFOG-UHFFFAOYSA-N 2 0 270.377 -0.748 20 0 CBADRP CC(=O)[C@@H](C)N1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273982141 827948258 /nfs/dbraw/zinc/94/82/58/827948258.db2.gz IYVOLOALNGWPJP-IUODEOHRSA-N 2 0 297.399 -0.171 20 0 CBADRP CC(=O)[C@H](C)N1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273982142 827948276 /nfs/dbraw/zinc/94/82/76/827948276.db2.gz IYVOLOALNGWPJP-SWLSCSKDSA-N 2 0 297.399 -0.171 20 0 CBADRP CC(=O)[C@@H](C)N1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273982140 827948615 /nfs/dbraw/zinc/94/86/15/827948615.db2.gz IYVOLOALNGWPJP-DOMZBBRYSA-N 2 0 297.399 -0.171 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274046478 827956077 /nfs/dbraw/zinc/95/60/77/827956077.db2.gz FDUJSHMINAAQGR-HIFRSBDPSA-N 2 0 299.415 -0.520 20 0 CBADRP CN(C)C(=O)C[NH2+]C/C=C/CNC(=O)C[N@H+](C)C1CCC1 ZINC001274088353 827967686 /nfs/dbraw/zinc/96/76/86/827967686.db2.gz GQIZVQAXQJBNGQ-SNAWJCMRSA-N 2 0 296.415 -0.179 20 0 CBADRP CN(C)C(=O)C[NH2+]C/C=C\CNC(=O)C[N@H+](C)C1CCC1 ZINC001274088352 827967924 /nfs/dbraw/zinc/96/79/24/827967924.db2.gz GQIZVQAXQJBNGQ-PLNGDYQASA-N 2 0 296.415 -0.179 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@H]1CCNC1=O ZINC001274133953 827969860 /nfs/dbraw/zinc/96/98/60/827969860.db2.gz OTUNCRZDQAQMMD-HORCIZIBSA-N 2 0 294.399 -0.379 20 0 CBADRP CC[C@@H](C(=O)NC/C=C\C[NH2+][C@@H](C)C(=O)NC)[NH+](C)C ZINC001274367687 827984634 /nfs/dbraw/zinc/98/46/34/827984634.db2.gz DTEOXWFJALYGEL-XPOJSHTGSA-N 2 0 284.404 -0.277 20 0 CBADRP CC[C@@H](C(=O)NC/C=C/C[NH2+][C@@H]1CCCNC1=O)[NH+](C)C ZINC001274367551 827985093 /nfs/dbraw/zinc/98/50/93/827985093.db2.gz CEJXWFFBRGWXAO-PBJSTTKNSA-N 2 0 296.415 -0.133 20 0 CBADRP CNC(=O)C[NH2+]C/C=C/CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001274369006 827987018 /nfs/dbraw/zinc/98/70/18/827987018.db2.gz OWCZHYSMPORXQM-VOTSOKGWSA-N 2 0 298.431 -0.028 20 0 CBADRP Cc1nc[nH]c1CC(=O)NC/C=C/C[NH2+]CC(=O)N(C)C ZINC001274537250 827998209 /nfs/dbraw/zinc/99/82/09/827998209.db2.gz ZOHLPKPYODZAHK-SNAWJCMRSA-N 2 0 293.371 -0.389 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)NC2CC2)C1 ZINC001274578077 828003242 /nfs/dbraw/zinc/00/32/42/828003242.db2.gz FBONLOBBJLDQJV-DLGQBQFBSA-N 2 0 294.399 -0.521 20 0 CBADRP CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001274580622 828006087 /nfs/dbraw/zinc/00/60/87/828006087.db2.gz GZPYVWQCNYBOIE-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001274580623 828006408 /nfs/dbraw/zinc/00/64/08/828006408.db2.gz GZPYVWQCNYBOIE-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274643341 828015938 /nfs/dbraw/zinc/01/59/38/828015938.db2.gz OIKWDQQBRJAEJO-DZGCQCFKSA-N 2 0 299.415 -0.520 20 0 CBADRP Cn1c[nH+]cc1N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274758672 828028012 /nfs/dbraw/zinc/02/80/12/828028012.db2.gz MKZHFBQJUMDEOF-UHFFFAOYSA-N 2 0 293.371 -0.601 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001274888196 828039426 /nfs/dbraw/zinc/03/94/26/828039426.db2.gz JTJZBZPDNBCFSD-UTUOFQBUSA-N 2 0 257.378 -0.054 20 0 CBADRP C[C@H](C[NH2+]CCO)NC(=O)C[NH+]1CCC(C)CC1 ZINC001274968408 828045028 /nfs/dbraw/zinc/04/50/28/828045028.db2.gz XDBPCWLIYDWRFG-GFCCVEGCSA-N 2 0 257.378 -0.195 20 0 CBADRP COCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001274981056 828047149 /nfs/dbraw/zinc/04/71/49/828047149.db2.gz XNALXXDHWMTOBA-RYUDHWBXSA-N 2 0 267.373 -0.225 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCOCCO)C1 ZINC001275210055 828067488 /nfs/dbraw/zinc/06/74/88/828067488.db2.gz OSUIUNQBUJMRBU-RUXDESIVSA-N 2 0 299.415 -0.426 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+]CCO)C1 ZINC001275331558 828078887 /nfs/dbraw/zinc/07/88/87/828078887.db2.gz MLTPURWLOZYGMZ-UHFFFAOYSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@@H](C[NH2+]CCCO)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001275406622 828084665 /nfs/dbraw/zinc/08/46/65/828084665.db2.gz OUBCKAIFMJHUIP-RYUDHWBXSA-N 2 0 257.378 -0.195 20 0 CBADRP CCOCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CN(CC)CCO1 ZINC001275451052 828088153 /nfs/dbraw/zinc/08/81/53/828088153.db2.gz HDDSJZPRVLHPFG-STQMWFEESA-N 2 0 287.404 -0.162 20 0 CBADRP CN(CCC[NH2+]Cc1nncn1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001275914753 828122932 /nfs/dbraw/zinc/12/29/32/828122932.db2.gz CLSJESXKCQVSCS-GFCCVEGCSA-N 2 0 294.403 -0.153 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CCOCCO ZINC001276002256 828129648 /nfs/dbraw/zinc/12/96/48/828129648.db2.gz JSINLDVKZHCKTK-QWHCGFSZSA-N 2 0 287.404 -0.617 20 0 CBADRP CN(CCC[NH2+][C@H]1CCCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001276209442 828137705 /nfs/dbraw/zinc/13/77/05/828137705.db2.gz VRPSSFQTPHVOIN-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001276195062 828137876 /nfs/dbraw/zinc/13/78/76/828137876.db2.gz DRHFXEKZYXIQQC-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(CCC[NH2+]Cc1ncnn1C)C(=O)CC[NH+](C)C ZINC001276208874 828137940 /nfs/dbraw/zinc/13/79/40/828137940.db2.gz LWWICLSHIAVXEV-UHFFFAOYSA-N 2 0 282.392 -0.295 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CCC[NH2+][C@H]1CCNC1=O ZINC001276339647 828142579 /nfs/dbraw/zinc/14/25/79/828142579.db2.gz IQVISLRLUMFSBL-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1C[NH+](CCO)C1 ZINC001276433738 828146291 /nfs/dbraw/zinc/14/62/91/828146291.db2.gz WICLIRPJFHVZHZ-RYUDHWBXSA-N 2 0 269.389 -0.243 20 0 CBADRP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001276463130 828146765 /nfs/dbraw/zinc/14/67/65/828146765.db2.gz BEAQDSBJLPFTSM-OKILXGFUSA-N 2 0 270.421 -0.505 20 0 CBADRP C[NH+](C)CCN1CC2CN(CC[NH+](C)C)CC(C1)O2 ZINC001276463254 828146900 /nfs/dbraw/zinc/14/69/00/828146900.db2.gz HLTPEDONAJRCRP-UHFFFAOYSA-N 2 0 270.421 -0.505 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1C[C@H](C)O ZINC001276956893 828168065 /nfs/dbraw/zinc/16/80/65/828168065.db2.gz PKCHPWVJEKTFMK-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)Cn1ccnc1 ZINC001276986536 828170200 /nfs/dbraw/zinc/17/02/00/828170200.db2.gz XGTYZYKXRRMHFG-WDEREUQCSA-N 2 0 252.318 -0.546 20 0 CBADRP C[C@H](O)C[NH2+]C1(CNC(=O)Cc2cncn2C)CC1 ZINC001277224834 828180020 /nfs/dbraw/zinc/18/00/20/828180020.db2.gz LZAGXJOBSVPZOR-JTQLQIEISA-N 2 0 266.345 -0.418 20 0 CBADRP C[C@H](CCC[NH2+]CC(N)=O)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001277299121 828182001 /nfs/dbraw/zinc/18/20/01/828182001.db2.gz MJNACKCGTNLZPG-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](CCn3ccnc3)C[C@H]21 ZINC001277544551 828193614 /nfs/dbraw/zinc/19/36/14/828193614.db2.gz KGCUCRLWQAGYOB-CABCVRRESA-N 2 0 293.415 -0.170 20 0 CBADRP CN1CCN(C(=O)C[NH+]2CCC3(C[NH+](C)C3)CC2)CC1 ZINC001277631763 828199621 /nfs/dbraw/zinc/19/96/21/828199621.db2.gz MWGUVPPYKMGERF-UHFFFAOYSA-N 2 0 280.416 -0.212 20 0 CBADRP CN(C)C(=O)CC[N@H+]1[C@@H]2C[C@H]1CN(CC[NH+](C)C)C2 ZINC001277635850 828199831 /nfs/dbraw/zinc/19/98/31/828199831.db2.gz CPNUJVISFBMUBU-BETUJISGSA-N 2 0 268.405 -0.215 20 0 CBADRP C[C@H](O)C[NH+]1CC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001277955712 828222470 /nfs/dbraw/zinc/22/24/70/828222470.db2.gz UALFMVFCADAOLC-GXTWGEPZSA-N 2 0 293.411 -0.004 20 0 CBADRP C[NH+](C)CCN1C[C@@H]2C[N@@H+](CC(C)(C)CO)C[C@H](C1)O2 ZINC001277968777 828223406 /nfs/dbraw/zinc/22/34/06/828223406.db2.gz WNUSOCDQXNKOEF-OKILXGFUSA-N 2 0 285.432 -0.049 20 0 CBADRP C[C@H](CO)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001277994371 828227557 /nfs/dbraw/zinc/22/75/57/828227557.db2.gz MNHIBXWBJYKOOG-AVGNSLFASA-N 2 0 281.400 -0.243 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O ZINC001277994958 828227651 /nfs/dbraw/zinc/22/76/51/828227651.db2.gz LSZVDUFKUWCENV-SNVBAGLBSA-N 2 0 258.366 -0.750 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CCCO)C1 ZINC001277997671 828228158 /nfs/dbraw/zinc/22/81/58/828228158.db2.gz QAZYITQWXNUHMV-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP CNC(=O)C[N@H+]1C[C@@H]2CC[NH+](COCCOC)CC[C@@H]2C1 ZINC001278011474 828230070 /nfs/dbraw/zinc/23/00/70/828230070.db2.gz SNICWHMXCXVOLY-OKILXGFUSA-N 2 0 299.415 -0.003 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001278013191 828230304 /nfs/dbraw/zinc/23/03/04/828230304.db2.gz LNUQYFXKZOMFMN-RYUDHWBXSA-N 2 0 254.378 -0.557 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001278032554 828233569 /nfs/dbraw/zinc/23/35/69/828233569.db2.gz SGAKMAWHEBVQRU-YNEHKIRRSA-N 2 0 268.405 -0.182 20 0 CBADRP CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001278804310 828291411 /nfs/dbraw/zinc/29/14/11/828291411.db2.gz PZCBNIMAYAXBNZ-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC1CC[NH2+]CC1 ZINC001348308205 890590812 /nfs/dbraw/zinc/59/08/12/890590812.db2.gz UIAGUYDXSRBAFV-LLVKDONJSA-N 2 0 256.350 -0.896 20 0 CBADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CC[NH2+]1 ZINC001350405074 890978542 /nfs/dbraw/zinc/97/85/42/890978542.db2.gz JBMRLHUSWHNFGY-VXGBXAGGSA-N 2 0 253.346 -0.282 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1C[N@H+](CCO)CCCO1)[NH+](C)C ZINC001150350163 884676896 /nfs/dbraw/zinc/67/68/96/884676896.db2.gz AIULVNDIZCGEHS-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001201678839 884746515 /nfs/dbraw/zinc/74/65/15/884746515.db2.gz QJMFAWKXNFCWIV-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP COCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374336 884778728 /nfs/dbraw/zinc/77/87/28/884778728.db2.gz BEZFQXXNYKQVPI-VXGBXAGGSA-N 2 0 273.377 -0.600 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCC(O)(C[NH3+])CC1)[C@@H](C)[NH3+] ZINC001326452408 885034627 /nfs/dbraw/zinc/03/46/27/885034627.db2.gz HNYAYMLXAZIUML-GHMZBOCLSA-N 2 0 257.378 -0.082 20 0 CBADRP Cn1cc(C[NH2+]CCC2(C[NH3+])CC2)c(=O)n(C)c1=O ZINC001326414840 885020949 /nfs/dbraw/zinc/02/09/49/885020949.db2.gz XHPUPEJMCOQOKE-UHFFFAOYSA-N 2 0 266.345 -0.697 20 0 CBADRP C[C@H](CNC(=O)C1([NH3+])CC1)C[NH+]1CCN(C)CC1 ZINC001326409504 885020972 /nfs/dbraw/zinc/02/09/72/885020972.db2.gz ZAJGQXKKMHSRRV-LLVKDONJSA-N 2 0 254.378 -0.523 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@H](C[NH3+])C2CC2)nn1 ZINC001326783661 885144274 /nfs/dbraw/zinc/14/42/74/885144274.db2.gz JMMMYWNMHDHKAO-SECBINFHSA-N 2 0 252.322 -0.906 20 0 CBADRP CNC(=O)CC1CC[NH+](C[C@@](C)(O)C[NH2+]C)CC1 ZINC001326799674 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COCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC001331321951 886777702 /nfs/dbraw/zinc/77/77/02/886777702.db2.gz GBAGWOKKJSZPGN-BJDJZHNGSA-N 2 0 255.362 -0.064 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC001331378298 886786010 /nfs/dbraw/zinc/78/60/10/886786010.db2.gz MBYRUGYQPBNQGU-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP COCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001331712372 886927374 /nfs/dbraw/zinc/92/73/74/886927374.db2.gz OBTQBULNFYFLGR-QWHCGFSZSA-N 2 0 287.404 -0.428 20 0 CBADRP Cc1n[nH]cc1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001331963200 887065717 /nfs/dbraw/zinc/06/57/17/887065717.db2.gz TVRJAULREOHYTH-ZDUSSCGKSA-N 2 0 267.377 -0.584 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001332236038 887167886 /nfs/dbraw/zinc/16/78/86/887167886.db2.gz BBNPMGSVHOALQS-SDDRHHMPSA-N 2 0 252.362 -0.994 20 0 CBADRP FC(F)(F)Cn1nnnc1CN1CC[NH2+]CC[NH2+]CC1 ZINC001332363102 887227460 /nfs/dbraw/zinc/22/74/60/887227460.db2.gz BDIHCNFBYVABIY-UHFFFAOYSA-N 2 0 293.297 -0.770 20 0 CBADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC001332365431 887232426 /nfs/dbraw/zinc/23/24/26/887232426.db2.gz SLOQNPNSKGBWLM-NWDGAFQWSA-N 2 0 258.362 -0.177 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC001332556369 887351799 /nfs/dbraw/zinc/35/17/99/887351799.db2.gz DNCJJNKQHADHCX-DBIOUOCHSA-N 2 0 256.350 -0.519 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CC[NH2+]CCC23CCC3)=NO1 ZINC001333229435 887568037 /nfs/dbraw/zinc/56/80/37/887568037.db2.gz PWDSJJUPZHTBMH-SNVBAGLBSA-N 2 0 266.345 -0.165 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[NH2+]CCC12CCC2 ZINC001333229453 887568284 /nfs/dbraw/zinc/56/82/84/887568284.db2.gz QKWRJQXEHXFNSY-UHFFFAOYSA-N 2 0 266.389 -0.364 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001333438444 887639129 /nfs/dbraw/zinc/63/91/29/887639129.db2.gz IRJWVCMBFWTHRT-TUAOUCFPSA-N 2 0 282.388 -0.608 20 0 CBADRP O=C1N[C@H]2C[N@H+](CCO)CC[C@H]2N1C1CC[NH2+]CC1 ZINC001334337834 887925360 /nfs/dbraw/zinc/92/53/60/887925360.db2.gz MQZFPWUSUZAVPU-NWDGAFQWSA-N 2 0 268.361 -0.801 20 0 CBADRP C[C@@H](C[C@H]1COCC[NH2+]1)NCC1([NH3+])CCOCC1 ZINC001335384236 888519610 /nfs/dbraw/zinc/51/96/10/888519610.db2.gz ZIWNZJAAJSZMJG-RYUDHWBXSA-N 2 0 257.378 -0.149 20 0 CBADRP C[NH+]1CCC(C[NH2+]CCOCCS(C)(=O)=O)CC1 ZINC001335466776 888541953 /nfs/dbraw/zinc/54/19/53/888541953.db2.gz QSUBKVDZQXGGFD-UHFFFAOYSA-N 2 0 278.418 -0.021 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[NH2+]C[C@H]1CCOC ZINC001335617023 888581524 /nfs/dbraw/zinc/58/15/24/888581524.db2.gz DITHRQUHGHYDEN-GFCCVEGCSA-N 2 0 288.392 -0.758 20 0 CBADRP C[C@H](NC(=O)c1c(C[NH3+])cnn1C)[C@@H]1CCC[NH2+]C1 ZINC001336709109 888852246 /nfs/dbraw/zinc/85/22/46/888852246.db2.gz QVUBUQBXJHWUQN-VHSXEESVSA-N 2 0 265.361 -0.003 20 0 CBADRP C[NH+](C)CCCC[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC001336763219 888872250 /nfs/dbraw/zinc/87/22/50/888872250.db2.gz MFOZAMOMIYFQPD-OLZOCXBDSA-N 2 0 260.378 -0.180 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001336743056 888867153 /nfs/dbraw/zinc/86/71/53/888867153.db2.gz ULGLZSVMXAUSJW-SECBINFHSA-N 2 0 266.349 -0.378 20 0 CBADRP C[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@H]1C[N@H+](C)CCN1C ZINC001336779113 888881032 /nfs/dbraw/zinc/88/10/32/888881032.db2.gz GSVPRZISMCISTH-SOUVJXGZSA-N 2 0 284.448 -0.333 20 0 CBADRP CCOCC[C@H](O)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC001336786044 888881145 /nfs/dbraw/zinc/88/11/45/888881145.db2.gz YLGWEMGHLUYRCU-LBPRGKRZSA-N 2 0 260.378 -0.180 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCCC[NH+]1CCOCC1 ZINC001340042005 889369873 /nfs/dbraw/zinc/36/98/73/889369873.db2.gz RRMIMUYBUUBFHW-CHWSQXEVSA-N 2 0 287.404 -0.569 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001340128672 889393096 /nfs/dbraw/zinc/39/30/96/889393096.db2.gz NUMQUBPSBLIDMP-SNVBAGLBSA-N 2 0 255.362 -0.313 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC001340372215 889428190 /nfs/dbraw/zinc/42/81/90/889428190.db2.gz AKXSTVLDFGZQFR-KXNHARMFSA-N 2 0 255.362 -0.336 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC[NH2+]CC1 ZINC001340461916 889433105 /nfs/dbraw/zinc/43/31/05/889433105.db2.gz KMIRXZVSSIIFID-RYUDHWBXSA-N 2 0 252.362 -0.803 20 0 CBADRP [NH3+]C[C@@H](O)CNC(=O)[C@H]1CCCCC12CC[NH2+]CC2 ZINC001340643873 889459590 /nfs/dbraw/zinc/45/95/90/889459590.db2.gz KJIWCOPVQIABCV-VXGBXAGGSA-N 2 0 269.389 -0.018 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001340676235 889465863 /nfs/dbraw/zinc/46/58/63/889465863.db2.gz JBSLCOQDETVYSF-GIPNMCIBSA-N 2 0 269.345 -0.393 20 0 CBADRP C[C@]1(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[C@@H](O)C[NH2+]1 ZINC001340843657 889495695 /nfs/dbraw/zinc/49/56/95/889495695.db2.gz JULZGRUGOSUEJX-OUCADQQQSA-N 2 0 267.373 -0.204 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001340868094 889501777 /nfs/dbraw/zinc/50/17/77/889501777.db2.gz SGJPOUWKSVLRRP-AGIUHOORSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@]1(C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@H](O)C[NH2+]1 ZINC001340906214 889509771 /nfs/dbraw/zinc/50/97/71/889509771.db2.gz MIONXARQSHPGRA-WCFLWFBJSA-N 2 0 255.362 -0.395 20 0 CBADRP CN(CCCCCC[NH3+])C(=O)[C@H]1C[NH2+]CCN1C ZINC001340954934 889523533 /nfs/dbraw/zinc/52/35/33/889523533.db2.gz UDAYPDQQVLWWSW-GFCCVEGCSA-N 2 0 256.394 -0.133 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)[C@H]2[NH2+]CC23CCOCC3)C1 ZINC001341116249 889546030 /nfs/dbraw/zinc/54/60/30/889546030.db2.gz MUJWFKIXFNBQGS-VXGBXAGGSA-N 2 0 267.373 -0.048 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001341285479 889568279 /nfs/dbraw/zinc/56/82/79/889568279.db2.gz UBSVILIRLXCIDR-OCCSQVGLSA-N 2 0 269.389 -0.101 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@H]1C[NH2+]CCC12CCC2 ZINC001341418112 889592439 /nfs/dbraw/zinc/59/24/39/889592439.db2.gz QKDQBQGQTHVULO-OUAUKWLOSA-N 2 0 253.346 -0.785 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001341517044 889612731 /nfs/dbraw/zinc/61/27/31/889612731.db2.gz QVFUZQZEZQSZQC-GRYCIOLGSA-N 2 0 255.362 -0.227 20 0 CBADRP CC(C)C[C@@H]([NH3+])CC(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001341515026 889612896 /nfs/dbraw/zinc/61/28/96/889612896.db2.gz KRWFAOXZSCACKY-MFKMUULPSA-N 2 0 268.361 -0.255 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC001341572196 889622247 /nfs/dbraw/zinc/62/22/47/889622247.db2.gz YJRLTYRZDDPSSW-JLLWLGSASA-N 2 0 257.378 -0.341 20 0 CBADRP CC[NH+]1CCC(NC(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001341629468 889638173 /nfs/dbraw/zinc/63/81/73/889638173.db2.gz GVWPSFTVODBECE-UHFFFAOYSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@@]1(C[NH3+])CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001341666264 889644881 /nfs/dbraw/zinc/64/48/81/889644881.db2.gz SBFFMGBRMJRIGD-STQMWFEESA-N 2 0 255.362 -0.312 20 0 CBADRP CC(C)(C[NH3+])CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001341674757 889646669 /nfs/dbraw/zinc/64/66/69/889646669.db2.gz MXOWRNFGOGQVJU-GFCCVEGCSA-N 2 0 268.405 -0.133 20 0 CBADRP CC[N@H+](CCNC(=O)C1(C[NH3+])CC(O)C1)C(C)C ZINC001341685099 889648016 /nfs/dbraw/zinc/64/80/16/889648016.db2.gz ROZJJPOCCNKNCN-UHFFFAOYSA-N 2 0 257.378 -0.067 20 0 CBADRP [NH3+]C[C@H]1Cc2cc(F)ccc2N(C(=O)[C@H]([NH3+])CO)C1 ZINC001341748803 889657737 /nfs/dbraw/zinc/65/77/37/889657737.db2.gz JGUZXPUZWKJDCI-LDYMZIIASA-N 2 0 267.304 -0.391 20 0 CBADRP CC(C)[C@H]1CN(C(=O)[C@H]2C[NH2+]CCN2C)CC[NH2+]1 ZINC001341763740 889660317 /nfs/dbraw/zinc/66/03/17/889660317.db2.gz FXKLUPZNDMSMDW-VXGBXAGGSA-N 2 0 254.378 -0.654 20 0 CBADRP C[C@@]1(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C[C@@H](O)C[NH2+]1 ZINC001341789575 889663836 /nfs/dbraw/zinc/66/38/36/889663836.db2.gz ZTGPKBCTETZARV-BYNQJWBRSA-N 2 0 269.389 -0.019 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1C[NH+](CCn2cncn2)C1 ZINC001443642211 912250994 /nfs/dbraw/zinc/25/09/94/912250994.db2.gz HWADWOYCKXBRCQ-UHFFFAOYSA-N 2 0 294.403 -0.332 20 0 CBADRP [NH3+]CCCC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001341823572 889668779 /nfs/dbraw/zinc/66/87/79/889668779.db2.gz PYIAMWFKXHSZKX-JTQLQIEISA-N 2 0 269.345 -0.473 20 0 CBADRP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCNCC[NH2+]CC1 ZINC001341836848 889670406 /nfs/dbraw/zinc/67/04/06/889670406.db2.gz AKNKRLQBYNSUGW-OLZOCXBDSA-N 2 0 266.389 -0.462 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001341977741 889692232 /nfs/dbraw/zinc/69/22/32/889692232.db2.gz MXBYJKFKEYECFW-CANXLDRLSA-N 2 0 253.346 -0.264 20 0 CBADRP [NH3+]CC1(C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CC(O)C1 ZINC001341980201 889695228 /nfs/dbraw/zinc/69/52/28/889695228.db2.gz DUAOMJYYENWOKG-UBHUBRDASA-N 2 0 267.373 -0.169 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001342020998 889696635 /nfs/dbraw/zinc/69/66/35/889696635.db2.gz LYPKEHUCYLSBCJ-GRYCIOLGSA-N 2 0 255.362 -0.361 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCN([C@@H](CC)C(N)=O)C1 ZINC001443775863 912272319 /nfs/dbraw/zinc/27/23/19/912272319.db2.gz DFOMQLPNLKVXOS-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 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COCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC001342996252 889856652 /nfs/dbraw/zinc/85/66/52/889856652.db2.gz XBUXEJPVXBFZFW-QJPTWQEYSA-N 2 0 255.362 -0.179 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001343031330 889859780 /nfs/dbraw/zinc/85/97/80/889859780.db2.gz GFMQPCGMVGPJDF-YPMHNXCESA-N 2 0 252.362 -0.756 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)C1 ZINC001343088276 889868443 /nfs/dbraw/zinc/86/84/43/889868443.db2.gz VXUBUVQPABZXCH-GIPNMCIBSA-N 2 0 266.345 -0.262 20 0 CBADRP C[C@@H](C(=O)N1CCC(OC2C[NH2+]C2)CC1)[NH+](C)C ZINC001343255693 889883120 /nfs/dbraw/zinc/88/31/20/889883120.db2.gz OMAHFZAKGFONEK-JTQLQIEISA-N 2 0 255.362 -0.084 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001343421159 889905342 /nfs/dbraw/zinc/90/53/42/889905342.db2.gz NOSUVIBDMSFMQS-NQBHXWOUSA-N 2 0 255.362 -0.348 20 0 CBADRP C[C@@H]1COCCN1CCNC(=O)CC1CC([NH3+])C1 ZINC001343422179 889905826 /nfs/dbraw/zinc/90/58/26/889905826.db2.gz XGNYMDHQOJMVND-VOMCLLRMSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001444249321 912398148 /nfs/dbraw/zinc/39/81/48/912398148.db2.gz ZNSIKIUZHNTMTD-IJLUTSLNSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@@H]1C[N@H+](C)CCN1C ZINC001343492910 889922402 /nfs/dbraw/zinc/92/24/02/889922402.db2.gz WKERLNODCCCXKZ-RNJOBUHISA-N 2 0 268.405 -0.136 20 0 CBADRP CC1(C)CN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC[NH2+]1 ZINC001343528381 889928035 /nfs/dbraw/zinc/92/80/35/889928035.db2.gz ZOWGXRKJLFFKDE-RISCZKNCSA-N 2 0 267.373 -0.177 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001343699732 889950290 /nfs/dbraw/zinc/95/02/90/889950290.db2.gz FNPWTVOKGLJKKL-GBIKHYSHSA-N 2 0 255.362 -0.267 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001444313127 912422023 /nfs/dbraw/zinc/42/20/23/912422023.db2.gz YDTIPZWMZKSQNH-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP CCN1CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001444377642 912439469 /nfs/dbraw/zinc/43/94/69/912439469.db2.gz GYCODDGWCYJVJI-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC(=O)N1CCC1 ZINC001444407114 912443751 /nfs/dbraw/zinc/44/37/51/912443751.db2.gz NDSWNTAJQJNUNO-CYBMUJFWSA-N 2 0 296.415 -0.344 20 0 CBADRP O=C(C[C@H]1CC[NH2+]C1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001344373430 890018194 /nfs/dbraw/zinc/01/81/94/890018194.db2.gz FPWVBDCTFBBUSX-VXGBXAGGSA-N 2 0 255.362 -0.441 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001344434823 890027400 /nfs/dbraw/zinc/02/74/00/890027400.db2.gz DWRCTMQJPGBPMQ-NRUUGDAUSA-N 2 0 266.345 -0.630 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001444601292 912478342 /nfs/dbraw/zinc/47/83/42/912478342.db2.gz XENMRCMUSCPATB-GMTAPVOTSA-N 2 0 270.377 -0.752 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001444629370 912481632 /nfs/dbraw/zinc/48/16/32/912481632.db2.gz JAELENDJZCPOEZ-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O ZINC001444717478 912496797 /nfs/dbraw/zinc/49/67/97/912496797.db2.gz HRENLEFYXHKFND-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)[C@@]3(C)C[C@H](O)C[NH2+]3)C[C@]2(C)C1 ZINC001345391777 890124750 /nfs/dbraw/zinc/12/47/50/890124750.db2.gz MFNGQWBVZFAFCA-UVLXDEKHSA-N 2 0 267.373 -0.491 20 0 CBADRP c1ncn([C@H]2CC[N@@H+](CCN3CC[NH2+]CC3)C2)n1 ZINC001346028429 890200117 /nfs/dbraw/zinc/20/01/17/890200117.db2.gz LZEJTHWYYJTBHU-LBPRGKRZSA-N 2 0 250.350 -0.570 20 0 CBADRP C[C@H](NC(=O)CC1([NH3+])CC1)[C@H]1C[N@H+](C)CCN1C ZINC001346228798 890241227 /nfs/dbraw/zinc/24/12/27/890241227.db2.gz MFYPAIMCXMAMTJ-WDEREUQCSA-N 2 0 254.378 -0.382 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC(N)=O)C1 ZINC001445148429 912582774 /nfs/dbraw/zinc/58/27/74/912582774.db2.gz XFPWVHSOEHHOCH-RYUDHWBXSA-N 2 0 282.388 -0.654 20 0 CBADRP C[NH+](C)CC1(C(=O)NC[C@@H](O)C[NH2+]C[C@H]2CCOC2)CC1 ZINC001445227921 912609369 /nfs/dbraw/zinc/60/93/69/912609369.db2.gz FMHZLPDMLKBZSS-OLZOCXBDSA-N 2 0 299.415 -0.569 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1cccnc1 ZINC001445271486 912622492 /nfs/dbraw/zinc/62/24/92/912622492.db2.gz RIINZVWCCRGKDW-CQSZACIVSA-N 2 0 294.399 -0.012 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)C[NH+]1CCCC1 ZINC001445324138 912633927 /nfs/dbraw/zinc/63/39/27/912633927.db2.gz BCLDSQMJVPJDRR-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001445394933 912656779 /nfs/dbraw/zinc/65/67/79/912656779.db2.gz ODQVDEOHXXELCU-NEPJUHHUSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001445395971 912656824 /nfs/dbraw/zinc/65/68/24/912656824.db2.gz QPBXLGSJAXRZNX-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001445425627 912661876 /nfs/dbraw/zinc/66/18/76/912661876.db2.gz YMSVDKKVXOPRHC-UTUOFQBUSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H]1CCCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)[C@H]1C[NH3+] ZINC000911825259 884596990 /nfs/dbraw/zinc/59/69/90/884596990.db2.gz NTOJPQKFXHCXFC-AGIUHOORSA-N 2 0 296.415 -0.231 20 0 CBADRP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@H+](CCO)C[C@H]2O)CC1 ZINC001090604413 884646061 /nfs/dbraw/zinc/64/60/61/884646061.db2.gz BVRTXXOJYUYEFP-ZIAGYGMSSA-N 2 0 299.415 -0.738 20 0 CBADRP CN(C)C(=O)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001446264410 912850436 /nfs/dbraw/zinc/85/04/36/912850436.db2.gz FDAHEFPVOIFRNN-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176565783 884704199 /nfs/dbraw/zinc/70/41/99/884704199.db2.gz XHVZGVHOVWNKML-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001188158866 884720009 /nfs/dbraw/zinc/72/00/09/884720009.db2.gz XNQYRHKVJBTUNO-CHWSQXEVSA-N 2 0 296.415 -0.252 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001188158395 884721619 /nfs/dbraw/zinc/72/16/19/884721619.db2.gz NEFNVQMDTKDJEP-CYBMUJFWSA-N 2 0 287.404 -0.474 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001200806464 884742226 /nfs/dbraw/zinc/74/22/26/884742226.db2.gz QVHOAWJGNQBYFZ-UONOGXRCSA-N 2 0 299.415 -0.330 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001200806465 884743091 /nfs/dbraw/zinc/74/30/91/884743091.db2.gz QVHOAWJGNQBYFZ-ZIAGYGMSSA-N 2 0 299.415 -0.330 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001210811950 884765192 /nfs/dbraw/zinc/76/51/92/884765192.db2.gz RYRRIJYNYISDIP-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1C[C@@H]1CCCC[NH2+]1 ZINC001211354849 884772769 /nfs/dbraw/zinc/77/27/69/884772769.db2.gz RJURMPWDFMKNDQ-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418202 884775475 /nfs/dbraw/zinc/77/54/75/884775475.db2.gz DFKRKWIHTODIHU-CHWSQXEVSA-N 2 0 285.388 -0.722 20 0 CBADRP CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416551 884775760 /nfs/dbraw/zinc/77/57/60/884775760.db2.gz PKMAHYLJMJLIAO-IACUBPJLSA-N 2 0 299.415 -0.333 20 0 CBADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1COCCN1 ZINC001219796278 884791868 /nfs/dbraw/zinc/79/18/68/884791868.db2.gz UJZOOELYHHSYOA-AWEZNQCLSA-N 2 0 296.415 -0.693 20 0 CBADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1CNC(=O)N1 ZINC001219796312 884791988 /nfs/dbraw/zinc/79/19/88/884791988.db2.gz VCYNZPTWFJOABV-LBPRGKRZSA-N 2 0 295.387 -1.000 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CCCF ZINC001325990442 884866403 /nfs/dbraw/zinc/86/64/03/884866403.db2.gz RPLTUHNHXXSQIX-LBPRGKRZSA-N 2 0 275.368 -0.149 20 0 CBADRP C[C@@H](O)C[NH2+]CCN(CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001326023028 884876132 /nfs/dbraw/zinc/87/61/32/884876132.db2.gz OWHBXWMFSQIKJQ-OCCSQVGLSA-N 2 0 299.415 -0.881 20 0 CBADRP [NH3+]CCCCCC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC001326087701 884904043 /nfs/dbraw/zinc/90/40/43/884904043.db2.gz NEOOUXAYQVQAQT-UHFFFAOYSA-N 2 0 281.364 -0.328 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)c1cn(CCCC[NH3+])nn1 ZINC001326087692 884904445 /nfs/dbraw/zinc/90/44/45/884904445.db2.gz MNQPBFCDFKTBAK-VIFPVBQESA-N 2 0 254.338 -0.516 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC001326096024 884904498 /nfs/dbraw/zinc/90/44/98/884904498.db2.gz BSBBNEAFBSQISB-CYBMUJFWSA-N 2 0 255.362 -0.048 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC2(CC[NH2+]2)CC1 ZINC001326144783 884918313 /nfs/dbraw/zinc/91/83/13/884918313.db2.gz NZMCRJBITWWCCZ-LLVKDONJSA-N 2 0 253.346 -0.281 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2nccs2)CC1 ZINC001326145827 884920376 /nfs/dbraw/zinc/92/03/76/884920376.db2.gz GDILXENUDFPCFA-LBPRGKRZSA-N 2 0 284.429 -0.117 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CCC2(CC[NH2+]2)CC1 ZINC001326180387 884934055 /nfs/dbraw/zinc/93/40/55/884934055.db2.gz PEVMHVGFAZKMED-NSHDSACASA-N 2 0 253.346 -0.281 20 0 CBADRP CC[C@H](CCO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001326200705 884944224 /nfs/dbraw/zinc/94/42/24/884944224.db2.gz PYOJNSVEOHRFSP-OLZOCXBDSA-N 2 0 259.394 -0.655 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001446420913 912883050 /nfs/dbraw/zinc/88/30/50/912883050.db2.gz PVVZWGVEIPNCES-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@@H]1C[NH2+]CCO1)C1CCCCC1 ZINC001326292808 884973670 /nfs/dbraw/zinc/97/36/70/884973670.db2.gz LBPMGWOVISNOLV-RYUDHWBXSA-N 2 0 255.362 -0.001 20 0 CBADRP CCC[NH2+]CCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC001326307321 884982711 /nfs/dbraw/zinc/98/27/11/884982711.db2.gz XUCFNXFETWGOOT-UHFFFAOYSA-N 2 0 291.417 -0.731 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)COCC[NH3+] ZINC001326324007 884987844 /nfs/dbraw/zinc/98/78/44/884987844.db2.gz SQIBNAIADJDUIE-UHFFFAOYSA-N 2 0 272.393 -0.942 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001326346975 884997909 /nfs/dbraw/zinc/99/79/09/884997909.db2.gz WQWNFNGKXYJILF-CQSZACIVSA-N 2 0 267.373 -0.033 20 0 CBADRP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC001326346279 884998621 /nfs/dbraw/zinc/99/86/21/884998621.db2.gz CRDAYQRPTIOWDX-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H](CNC(=O)C[C@@H]1CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC001326371579 885006797 /nfs/dbraw/zinc/00/67/97/885006797.db2.gz MSVVBALHGUDXPM-STQMWFEESA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@H](C[NH3+])NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001326375755 885012715 /nfs/dbraw/zinc/01/27/15/885012715.db2.gz PGWMJDBQRCEBBH-RKDXNWHRSA-N 2 0 252.322 -0.720 20 0 CBADRP C[C@@H](C[NH2+]C1CCN(C=O)CC1)N1CC[NH+](C)CC1 ZINC001326563889 885066541 /nfs/dbraw/zinc/06/65/41/885066541.db2.gz ZIIRPKPWONWRKB-ZDUSSCGKSA-N 2 0 268.405 -0.167 20 0 CBADRP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Cn1ccnn1 ZINC001326582809 885072986 /nfs/dbraw/zinc/07/29/86/885072986.db2.gz RYVVCVXGLRQASH-FDYHWXHSSA-N 2 0 265.361 -0.383 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001326583899 885073424 /nfs/dbraw/zinc/07/34/24/885073424.db2.gz PFODNLLMSVPNOL-UTUOFQBUSA-N 2 0 253.346 -0.297 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001326583901 885073780 /nfs/dbraw/zinc/07/37/80/885073780.db2.gz PFODNLLMSVPNOL-WOPDTQHZSA-N 2 0 253.346 -0.297 20 0 CBADRP COCCOC1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1 ZINC001326583400 885074520 /nfs/dbraw/zinc/07/45/20/885074520.db2.gz IOMSHQRDVNIQIW-UHFFFAOYSA-N 2 0 285.388 -0.454 20 0 CBADRP [NH3+]C1(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC001326687177 885113443 /nfs/dbraw/zinc/11/34/43/885113443.db2.gz BSLIFXVZNRYGEF-NSHDSACASA-N 2 0 253.346 -0.342 20 0 CBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001326800757 885153317 /nfs/dbraw/zinc/15/33/17/885153317.db2.gz OYKOIDPBTZSRGV-RISCZKNCSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](C(=O)NC2CC2)C1 ZINC001326800756 885154108 /nfs/dbraw/zinc/15/41/08/885154108.db2.gz OYKOIDPBTZSRGV-FZMZJTMJSA-N 2 0 269.389 -0.053 20 0 CBADRP COCC[NH2+]CC(=O)NCCC[NH+]1CCC(O)CC1 ZINC001326816182 885162957 /nfs/dbraw/zinc/16/29/57/885162957.db2.gz FLOAKKWKKLMYEW-UHFFFAOYSA-N 2 0 273.377 -0.815 20 0 CBADRP [NH3+]CCCOC1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC001326834987 885167886 /nfs/dbraw/zinc/16/78/86/885167886.db2.gz SJBNGKVJLGOPCW-GFCCVEGCSA-N 2 0 271.361 -0.669 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001326858448 885176391 /nfs/dbraw/zinc/17/63/91/885176391.db2.gz KGYNFUOLGQMISE-UWVGGRQHSA-N 2 0 296.375 -0.765 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC001326906891 885189383 /nfs/dbraw/zinc/18/93/83/885189383.db2.gz ONQGGEKSMACTIL-LBPRGKRZSA-N 2 0 256.394 -0.277 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001326936930 885196992 /nfs/dbraw/zinc/19/69/92/885196992.db2.gz JKUPMWHOMNBXTN-PSASIEDQSA-N 2 0 252.322 -0.753 20 0 CBADRP CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)CCO1 ZINC001326967877 885205909 /nfs/dbraw/zinc/20/59/09/885205909.db2.gz SSQQQDCWQFFVEL-CHWSQXEVSA-N 2 0 285.388 -0.456 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCO[C@@H](C[NH2+]CCO)C1 ZINC001326988875 885214916 /nfs/dbraw/zinc/21/49/16/885214916.db2.gz DSRONJZLCIGGJS-KBPBESRZSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[C@@H](O)CCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001327006418 885220583 /nfs/dbraw/zinc/22/05/83/885220583.db2.gz YHGUJFGJHYLZRV-ZIAGYGMSSA-N 2 0 273.421 -0.265 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001327064020 885240330 /nfs/dbraw/zinc/24/03/30/885240330.db2.gz LIMONUBBQPQTHM-GFCCVEGCSA-N 2 0 273.377 -0.863 20 0 CBADRP O=C(C[N@@H+]1CCC[C@H]2COCC[C@H]21)N1CC[NH2+]CC1 ZINC001327086713 885254604 /nfs/dbraw/zinc/25/46/04/885254604.db2.gz GKVWFIFBNKMNAP-QWHCGFSZSA-N 2 0 267.373 -0.081 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001327130917 885270022 /nfs/dbraw/zinc/27/00/22/885270022.db2.gz NSQOBUWJBRVUQI-GRYCIOLGSA-N 2 0 256.394 -0.278 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001327162190 885274092 /nfs/dbraw/zinc/27/40/92/885274092.db2.gz YZALYGBXBYEVEQ-MXWKQRLJSA-N 2 0 270.377 -0.704 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001327570092 885406869 /nfs/dbraw/zinc/40/68/69/885406869.db2.gz ODPPEZMFYRATAM-VIFPVBQESA-N 2 0 266.349 -0.330 20 0 CBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC001327562128 885408447 /nfs/dbraw/zinc/40/84/47/885408447.db2.gz JHPNPMLWFKMISD-LOWVWBTDSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@@H](NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)[C@H](C)[NH3+] ZINC001327597063 885423727 /nfs/dbraw/zinc/42/37/27/885423727.db2.gz MHTILHBKCFYYAD-DJLDLDEBSA-N 2 0 251.334 -0.048 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001327597066 885423748 /nfs/dbraw/zinc/42/37/48/885423748.db2.gz MHTILHBKCFYYAD-XHNCKOQMSA-N 2 0 251.334 -0.048 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001327612277 885428878 /nfs/dbraw/zinc/42/88/78/885428878.db2.gz BAIFJFNHGYCFIP-RYUDHWBXSA-N 2 0 267.373 -0.048 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001327612800 885429107 /nfs/dbraw/zinc/42/91/07/885429107.db2.gz FNJKROJEEYNJME-UWVGGRQHSA-N 2 0 266.349 -0.330 20 0 CBADRP C(NC[C@H]1C[NH2+]CCO1)c1nc2c(s1)C[NH2+]CC2 ZINC001327642240 885439314 /nfs/dbraw/zinc/43/93/14/885439314.db2.gz ADVOEMGCWDIWHD-SECBINFHSA-N 2 0 268.386 -0.133 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC001327829918 885489913 /nfs/dbraw/zinc/48/99/13/885489913.db2.gz OUUVQCNOHDALLQ-VWYCJHECSA-N 2 0 268.361 -0.937 20 0 CBADRP C[C@@](C[NH3+])(NC(=O)c1cn(CC[NH3+])nn1)C1CC1 ZINC001327862143 885507687 /nfs/dbraw/zinc/50/76/87/885507687.db2.gz ACCNSHAKUBONCG-NSHDSACASA-N 2 0 252.322 -0.906 20 0 CBADRP [NH3+]C1(CC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC001327929589 885532875 /nfs/dbraw/zinc/53/28/75/885532875.db2.gz UAKWADMXHOWSNH-LLVKDONJSA-N 2 0 252.362 -0.626 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCC2(O)CCC2)CC1 ZINC001327992043 885547871 /nfs/dbraw/zinc/54/78/71/885547871.db2.gz LOBKZLYDCLVDKT-AWEZNQCLSA-N 2 0 285.432 -0.121 20 0 CBADRP O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1C[C@@H]1CCC[NH2+]C1 ZINC001328189398 885595088 /nfs/dbraw/zinc/59/50/88/885595088.db2.gz FVKIMSZCGJTVGQ-ZWNOBZJWSA-N 2 0 266.345 -0.340 20 0 CBADRP O=C(C1CC[NH2+]CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001328203815 885599627 /nfs/dbraw/zinc/59/96/27/885599627.db2.gz TWBKUYSVKFESRB-ZDUSSCGKSA-N 2 0 266.389 -0.508 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](C[C@H](C)O)C1 ZINC001446788187 912953147 /nfs/dbraw/zinc/95/31/47/912953147.db2.gz BCERVYVKUKUPNS-JSGCOSHPSA-N 2 0 287.404 -0.738 20 0 CBADRP CSCC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001328331799 885638631 /nfs/dbraw/zinc/63/86/31/885638631.db2.gz FRQBJSQYRBICFB-UWVGGRQHSA-N 2 0 261.391 -0.439 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC001328436742 885684465 /nfs/dbraw/zinc/68/44/65/885684465.db2.gz LWLSZTDEPJWRSE-WCQGTBRESA-N 2 0 255.362 -0.064 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC[C@@H]1[NH3+] ZINC001328454807 885692519 /nfs/dbraw/zinc/69/25/19/885692519.db2.gz KUHMMZBCPMTUPH-WISYIIOYSA-N 2 0 255.362 -0.064 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC[N@@H+]1C ZINC001328454282 885693186 /nfs/dbraw/zinc/69/31/86/885693186.db2.gz DXAWABSEIGFXCO-DDHJBXDOSA-N 2 0 255.362 -0.051 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001328473712 885700235 /nfs/dbraw/zinc/70/02/35/885700235.db2.gz QTMKVYBVSADTCS-SECBINFHSA-N 2 0 266.349 -0.460 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)COCC[NH3+])CC1 ZINC001328576978 885733443 /nfs/dbraw/zinc/73/34/43/885733443.db2.gz HYTINVSTAKJANZ-UHFFFAOYSA-N 2 0 272.393 -0.895 20 0 CBADRP CC(C)[NH2+]C1CCN(CC(=O)N2CC[NH2+]CC2)CC1 ZINC001328606975 885741386 /nfs/dbraw/zinc/74/13/86/885741386.db2.gz SZINHNHADSTPMC-UHFFFAOYSA-N 2 0 268.405 -0.119 20 0 CBADRP C[NH+]1CCC(C(=O)NC2CC(C[NH2+]CCO)C2)CC1 ZINC001328913710 885846248 /nfs/dbraw/zinc/84/62/48/885846248.db2.gz ZQKXYLIKADXOFN-UHFFFAOYSA-N 2 0 269.389 -0.195 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001446971428 912988891 /nfs/dbraw/zinc/98/88/91/912988891.db2.gz KYQLZCNCLQBLQS-STQMWFEESA-N 2 0 298.431 -0.242 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)nn1 ZINC001329367895 886033716 /nfs/dbraw/zinc/03/37/16/886033716.db2.gz DLXRINVTEDKPIU-GHMZBOCLSA-N 2 0 280.376 -0.126 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001329446831 886074228 /nfs/dbraw/zinc/07/42/28/886074228.db2.gz KJPHQVAQAJYHLF-QWRGUYRKSA-N 2 0 282.388 -0.608 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC001329484684 886090546 /nfs/dbraw/zinc/09/05/46/886090546.db2.gz SKEGJBVFAWKGLS-QWHCGFSZSA-N 2 0 268.405 -0.133 20 0 CBADRP CC[C@@]1(C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC001329499161 886097638 /nfs/dbraw/zinc/09/76/38/886097638.db2.gz QOYXBCVJWQXMHU-WCQYABFASA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H]1C[C@H](C)N(CC(=O)N2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC001329498718 886098067 /nfs/dbraw/zinc/09/80/67/886098067.db2.gz HYQOTOMRIHKKEM-AGIUHOORSA-N 3 0 268.405 -0.277 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)N(C)CC(N)=O ZINC001329612864 886143385 /nfs/dbraw/zinc/14/33/85/886143385.db2.gz ILXKQQWSFRYTQP-SNVBAGLBSA-N 2 0 256.350 -0.996 20 0 CBADRP C[C@@H](C(=O)NCC[N@@H+]1CC[C@@H](O)C1)n1ccnc1 ZINC001329569997 886127912 /nfs/dbraw/zinc/12/79/12/886127912.db2.gz VNJFUCBSDFAELU-WDEREUQCSA-N 2 0 252.318 -0.373 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CCCO ZINC001329613570 886142548 /nfs/dbraw/zinc/14/25/48/886142548.db2.gz PCDDNHKDGSWCMB-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001329703289 886183257 /nfs/dbraw/zinc/18/32/57/886183257.db2.gz LNAOAKHOKMWATM-WCFLWFBJSA-N 2 0 267.373 -0.179 20 0 CBADRP C[NH+](C/C=C/C[N@@H+](C)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC001329862245 886243537 /nfs/dbraw/zinc/24/35/37/886243537.db2.gz HUQGDDLZKDEXNE-BLDJZWNYSA-N 2 0 280.372 -0.817 20 0 CBADRP C[C@H](NC(=O)c1cn(CC[NH3+])nn1)[C@@H]1CCC[NH2+]C1 ZINC001329878038 886254370 /nfs/dbraw/zinc/25/43/70/886254370.db2.gz KYFGQMCRHPPMHU-VHSXEESVSA-N 2 0 266.349 -0.645 20 0 CBADRP C[C@@H](NC(=O)c1cn(CC[NH3+])nn1)[C@@H]1CCC[NH2+]C1 ZINC001329878036 886254623 /nfs/dbraw/zinc/25/46/23/886254623.db2.gz KYFGQMCRHPPMHU-NXEZZACHSA-N 2 0 266.349 -0.645 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)c1cn(CCC[NH3+])nn1 ZINC001329923943 886277391 /nfs/dbraw/zinc/27/73/91/886277391.db2.gz LTURRUSYTAYFOD-UHFFFAOYSA-N 2 0 254.338 -0.564 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC001329926836 886283971 /nfs/dbraw/zinc/28/39/71/886283971.db2.gz VOJNTRUTKUABQU-SDDRHHMPSA-N 2 0 255.362 -0.192 20 0 CBADRP C[C@@H](C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[C@H](C)[NH3+] ZINC001329936093 886288577 /nfs/dbraw/zinc/28/85/77/886288577.db2.gz CIBIWBGLBSTSIO-RQJHMYQMSA-N 2 0 253.306 -0.760 20 0 CBADRP C(N1CCN([C@H]2CC[NH2+]C2)CC1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC001329977456 886309049 /nfs/dbraw/zinc/30/90/49/886309049.db2.gz UKKOBYFLFJGBOZ-RDBSUJKOSA-N 2 0 250.390 -0.425 20 0 CBADRP C[C@H](O)C[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001330049224 886338064 /nfs/dbraw/zinc/33/80/64/886338064.db2.gz UGUDLKUKJSEYQL-QWRGUYRKSA-N 2 0 257.378 -0.245 20 0 CBADRP C[NH2+]CCCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001330584111 886490367 /nfs/dbraw/zinc/49/03/67/886490367.db2.gz HSGWITABRMAQBF-VIFPVBQESA-N 2 0 251.334 -0.174 20 0 CBADRP CN(CCOCC[NH3+])C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC001330608658 886500783 /nfs/dbraw/zinc/50/07/83/886500783.db2.gz TVUTZOFGEDSQQR-ZDUSSCGKSA-N 2 0 295.387 -0.145 20 0 CBADRP [NH3+]C1(CNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CCOCC1 ZINC001330627541 886512628 /nfs/dbraw/zinc/51/26/28/886512628.db2.gz VNQAFRRVTLOQOX-ZJUUUORDSA-N 2 0 259.325 -0.442 20 0 CBADRP [NH3+]CC1(NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CCOCC1 ZINC001330626016 886512643 /nfs/dbraw/zinc/51/26/43/886512643.db2.gz VQPFIHRCIAANTB-ZJUUUORDSA-N 2 0 259.325 -0.442 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001330869776 886606442 /nfs/dbraw/zinc/60/64/42/886606442.db2.gz HEIGPNJNRGPUJM-RYUDHWBXSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC001330870596 886606822 /nfs/dbraw/zinc/60/68/22/886606822.db2.gz MLXYZVKGIPDGEO-YNEHKIRRSA-N 2 0 296.415 -0.217 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001331052783 886659942 /nfs/dbraw/zinc/65/99/42/886659942.db2.gz JKCKNTKQSSEUHQ-VHSXEESVSA-N 2 0 253.346 -0.439 20 0 CBADRP [NH3+]CCC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001331057107 886660452 /nfs/dbraw/zinc/66/04/52/886660452.db2.gz CQNVGUMOAYVPFX-LBPRGKRZSA-N 2 0 255.362 -0.048 20 0 CBADRP CN(C)C(=O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001447377581 913067627 /nfs/dbraw/zinc/06/76/27/913067627.db2.gz OSRMUYUMCMMCGE-CYBMUJFWSA-N 2 0 298.431 -0.193 20 0 CBADRP C[N@H+](CCO)CCOCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001331101983 886675841 /nfs/dbraw/zinc/67/58/41/886675841.db2.gz COXZCRLJVOFZRU-LBPRGKRZSA-N 2 0 273.377 -0.863 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC001331113819 886680454 /nfs/dbraw/zinc/68/04/54/886680454.db2.gz LQGDYWZYRIQXIW-STQMWFEESA-N 2 0 294.399 -0.452 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331131206 886686052 /nfs/dbraw/zinc/68/60/52/886686052.db2.gz LQNJYZRSIVKEQY-JHJVBQTASA-N 2 0 296.415 -0.312 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331199084 886725735 /nfs/dbraw/zinc/72/57/35/886725735.db2.gz YVAVTLGAGFWURW-IJLUTSLNSA-N 2 0 282.388 -0.750 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331221766 886734489 /nfs/dbraw/zinc/73/44/89/886734489.db2.gz PCGAZVVWLZAKTI-JOCQHMNTSA-N 2 0 296.415 -0.360 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001331231036 886741525 /nfs/dbraw/zinc/74/15/25/886741525.db2.gz AMIUGZIBRQVPHH-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@@H]1CC[C@@H](C[NH3+])N(CC(=O)N2CC[NH2+]CC2)[C@@H]1C ZINC001331286354 886763386 /nfs/dbraw/zinc/76/33/86/886763386.db2.gz AGKCQZANWJHGIH-UPJWGTAASA-N 2 0 268.405 -0.134 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001331337025 886780855 /nfs/dbraw/zinc/78/08/55/886780855.db2.gz VNNGKLGNIHJJBI-STQMWFEESA-N 2 0 263.341 -0.209 20 0 CBADRP CC(C)([NH3+])C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001331347432 886781221 /nfs/dbraw/zinc/78/12/21/886781221.db2.gz WLOQXZWKWVTAQB-UHFFFAOYSA-N 2 0 264.333 -0.438 20 0 CBADRP [NH3+][C@H]1CCC[C@H](NC(=O)NCCN2CC[NH2+]CC2)C1 ZINC001331395612 886792290 /nfs/dbraw/zinc/79/22/90/886792290.db2.gz IHXNSXYUPGKXIP-RYUDHWBXSA-N 2 0 269.393 -0.539 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NCCCN2CC[NH2+]CC2)C1 ZINC001331422889 886799714 /nfs/dbraw/zinc/79/97/14/886799714.db2.gz SZCWLDHAPBAPED-OLZOCXBDSA-N 2 0 283.420 -0.149 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC001331490663 886821372 /nfs/dbraw/zinc/82/13/72/886821372.db2.gz ZQSAWGRIPSBWGT-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@](CO)([NH2+]CCF)C2)C1 ZINC001447473814 913084940 /nfs/dbraw/zinc/08/49/40/913084940.db2.gz MNCCWQDLJKOACO-JSGCOSHPSA-N 2 0 287.379 -0.149 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001331572517 886850290 /nfs/dbraw/zinc/85/02/90/886850290.db2.gz BQEYHDCELJZMJQ-NOOOWODRSA-N 2 0 282.388 -0.467 20 0 CBADRP CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC001331573959 886850718 /nfs/dbraw/zinc/85/07/18/886850718.db2.gz HNLWIKRTEHWFHB-XQQFMLRXSA-N 2 0 296.415 -0.204 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CCCC1 ZINC001331620142 886869854 /nfs/dbraw/zinc/86/98/54/886869854.db2.gz SNPHEXLNGJUOJT-HAQNSBGRSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001331724922 886939437 /nfs/dbraw/zinc/93/94/37/886939437.db2.gz IGJQVHUKDUKLRL-IJLUTSLNSA-N 2 0 256.394 -0.101 20 0 CBADRP CCn1nnc(C)c1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC001331757704 886958010 /nfs/dbraw/zinc/95/80/10/886958010.db2.gz YJBZLPGHCVBQNQ-UHFFFAOYSA-N 2 0 253.350 -0.108 20 0 CBADRP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H]2CNC(=O)C2)C1 ZINC001331791248 886986349 /nfs/dbraw/zinc/98/63/49/886986349.db2.gz MIUCLANEVZUIJN-WCQYABFASA-N 2 0 255.362 -0.489 20 0 CBADRP CCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001331835281 887006591 /nfs/dbraw/zinc/00/65/91/887006591.db2.gz LFDNHMQTPONTGX-VXGBXAGGSA-N 2 0 257.378 -0.195 20 0 CBADRP [NH3+]C1(CN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CCOCC1 ZINC001331852830 887016752 /nfs/dbraw/zinc/01/67/52/887016752.db2.gz YKQWRNXVWAGSCP-OLZOCXBDSA-N 2 0 269.389 -0.149 20 0 CBADRP [NH3+]C[C@@H]1CCCCN1C(=O)NCCN1CC[NH2+]CC1 ZINC001331876304 887026662 /nfs/dbraw/zinc/02/66/62/887026662.db2.gz QVGMAEWVCGCSAG-LBPRGKRZSA-N 2 0 269.393 -0.586 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC001331969351 887068305 /nfs/dbraw/zinc/06/83/05/887068305.db2.gz OIJBIOSGYFZQIE-BQBZGAKWSA-N 2 0 257.256 -0.254 20 0 CBADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+]CCN1CC[NH2+]CC1 ZINC001331981274 887075553 /nfs/dbraw/zinc/07/55/53/887075553.db2.gz OUTAMTVPCDIUDM-ZDUSSCGKSA-N 3 0 293.419 -0.803 20 0 CBADRP C[C@H](O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001447736254 913112944 /nfs/dbraw/zinc/11/29/44/913112944.db2.gz BFLRTSGOILNIGF-QWHCGFSZSA-N 2 0 299.415 -0.738 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)nn1 ZINC001332109989 887113800 /nfs/dbraw/zinc/11/38/00/887113800.db2.gz XNBJCDHGQZWZIU-SNVBAGLBSA-N 2 0 266.349 -0.644 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001332128962 887123475 /nfs/dbraw/zinc/12/34/75/887123475.db2.gz VLPOAGAJLAAHJE-RWMBFGLXSA-N 2 0 294.399 -0.641 20 0 CBADRP [NH3+]Cc1cc(C(=O)NCCN2CC[NH2+]CC2)co1 ZINC001332158681 887137028 /nfs/dbraw/zinc/13/70/28/887137028.db2.gz VSEVTWSODKCLHL-UHFFFAOYSA-N 2 0 252.318 -0.627 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])CC[N@@H+]1C ZINC001332235880 887164045 /nfs/dbraw/zinc/16/40/45/887164045.db2.gz RGZHMXNOXAUCAG-GHMZBOCLSA-N 2 0 284.404 -0.171 20 0 CBADRP CN(C(=O)c1cn(CCC[NH3+])nn1)C1CC([NH3+])C1 ZINC001332250423 887173305 /nfs/dbraw/zinc/17/33/05/887173305.db2.gz WKDIROHIEZGJCQ-UHFFFAOYSA-N 2 0 252.322 -0.811 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001332282745 887183919 /nfs/dbraw/zinc/18/39/19/887183919.db2.gz VFODJXPBWPSIRK-UONOGXRCSA-N 2 0 299.415 -0.033 20 0 CBADRP [NH3+]CCCCCCCN1CC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001332366356 887231415 /nfs/dbraw/zinc/23/14/15/887231415.db2.gz ZCTOHUSTGZVPPP-OLZOCXBDSA-N 2 0 289.445 -0.034 20 0 CBADRP CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001447796190 913126923 /nfs/dbraw/zinc/12/69/23/913126923.db2.gz GAAJLCACZNGDIY-XIVSLSHWSA-N 2 0 284.404 -0.458 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC001332399437 887261660 /nfs/dbraw/zinc/26/16/60/887261660.db2.gz FUOHNMCKDORNST-LLVKDONJSA-N 2 0 263.345 -0.479 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001332520984 887335543 /nfs/dbraw/zinc/33/55/43/887335543.db2.gz NRVDMRPZWHYRCV-IJLUTSLNSA-N 2 0 269.393 -0.731 20 0 CBADRP CCN(C(=O)NCCN1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC001332532553 887343082 /nfs/dbraw/zinc/34/30/82/887343082.db2.gz MPXYMJDNTSMEHQ-GFCCVEGCSA-N 2 0 269.393 -0.715 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(CNC(C)=O)CC1 ZINC001332627937 887379825 /nfs/dbraw/zinc/37/98/25/887379825.db2.gz NCSPWQYCUXJRRQ-CYBMUJFWSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001332671944 887401264 /nfs/dbraw/zinc/40/12/64/887401264.db2.gz FWMSJHXVLHFDKT-JTQLQIEISA-N 2 0 296.375 -0.811 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC001332724959 887418594 /nfs/dbraw/zinc/41/85/94/887418594.db2.gz QKMOWDNLKMZTKA-KBPBESRZSA-N 2 0 299.463 -0.592 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001447860941 913149400 /nfs/dbraw/zinc/14/94/00/913149400.db2.gz BXYFXGMZJHOKQQ-GHMZBOCLSA-N 2 0 284.404 -0.301 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC001332961748 887490151 /nfs/dbraw/zinc/49/01/51/887490151.db2.gz MNEZYSVSYZUVGD-XQQFMLRXSA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC001333178297 887553187 /nfs/dbraw/zinc/55/31/87/887553187.db2.gz KKKQPENLBNQLNO-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001333279490 887581960 /nfs/dbraw/zinc/58/19/60/887581960.db2.gz LOXBQZUZIWJERS-QCLAVDOMSA-N 2 0 259.300 -0.045 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)c2c(C[NH3+])cnn2C)C1 ZINC001333321249 887594736 /nfs/dbraw/zinc/59/47/36/887594736.db2.gz YXRVZOFOCJAHIU-JTQLQIEISA-N 2 0 251.334 -0.297 20 0 CBADRP C[S@](=O)C1(C(=O)NCC[NH2+]C2CC2)CC[NH2+]CC1 ZINC001333321049 887594658 /nfs/dbraw/zinc/59/46/58/887594658.db2.gz VJBHRGIYSQLPMH-SFHVURJKSA-N 2 0 273.402 -0.645 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001333339074 887601567 /nfs/dbraw/zinc/60/15/67/887601567.db2.gz WBRDWHUNAWYGAC-ADEWGFFLSA-N 2 0 265.361 -0.329 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1c(C[NH3+])cnn1C ZINC001333352662 887605880 /nfs/dbraw/zinc/60/58/80/887605880.db2.gz LRSRWVAEWYRRRK-VHSXEESVSA-N 2 0 251.334 -0.251 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001333352778 887607264 /nfs/dbraw/zinc/60/72/64/887607264.db2.gz NOYZLMPEYAWRLT-QWRGUYRKSA-N 2 0 254.378 -0.334 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333449617 887644099 /nfs/dbraw/zinc/64/40/99/887644099.db2.gz YTFVCUAANFSLSJ-TXEJJXNPSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001333531572 887676708 /nfs/dbraw/zinc/67/67/08/887676708.db2.gz BHYSDAMCZDTTJO-RQJHMYQMSA-N 2 0 268.321 -0.824 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC001333548277 887688197 /nfs/dbraw/zinc/68/81/97/887688197.db2.gz LZTMLMQBVUAZLI-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP CN(CCC[NH3+])C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001333580926 887701179 /nfs/dbraw/zinc/70/11/79/887701179.db2.gz AGONVFZGGPRCSG-UHFFFAOYSA-N 2 0 266.349 -0.377 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001333602957 887712952 /nfs/dbraw/zinc/71/29/52/887712952.db2.gz VENWFKKEKRNSRU-VLLVSFFDSA-N 2 0 250.346 -0.212 20 0 CBADRP O=CN1CCC([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC001333613018 887717407 /nfs/dbraw/zinc/71/74/07/887717407.db2.gz YAHADIYIASXPJC-CYBMUJFWSA-N 2 0 255.362 -0.347 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001333625134 887723016 /nfs/dbraw/zinc/72/30/16/887723016.db2.gz IUFREGLRPGZOCN-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001333636446 887729316 /nfs/dbraw/zinc/72/93/16/887729316.db2.gz SORFBDWBAOVLLR-GVXVVHGQSA-N 2 0 253.346 -0.438 20 0 CBADRP CC[N@@H+]1CCC[C@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC001333636401 887730140 /nfs/dbraw/zinc/73/01/40/887730140.db2.gz QXVUAYVJUSGPDM-MNOVXSKESA-N 2 0 268.361 -0.062 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001333636447 887730406 /nfs/dbraw/zinc/73/04/06/887730406.db2.gz SORFBDWBAOVLLR-MDZLAQPJSA-N 2 0 253.346 -0.438 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001333635883 887730454 /nfs/dbraw/zinc/73/04/54/887730454.db2.gz MMBMDUUXVVKLHO-STQMWFEESA-N 2 0 285.388 -0.687 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)[NH+]1CCCCC1 ZINC001333882184 887798193 /nfs/dbraw/zinc/79/81/93/887798193.db2.gz VZSQDDKJZKDARD-UPJWGTAASA-N 2 0 296.415 -0.075 20 0 CBADRP C[N@H+](CCCCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C1CC1 ZINC001333913263 887805867 /nfs/dbraw/zinc/80/58/67/887805867.db2.gz PKPYZIOWHAYLBS-CYBMUJFWSA-N 2 0 296.415 -0.073 20 0 CBADRP NS(=O)(=O)C[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC001334337780 887925130 /nfs/dbraw/zinc/92/51/30/887925130.db2.gz KQJGHNUULPXFIX-QWRGUYRKSA-N 2 0 261.391 -0.404 20 0 CBADRP C[C@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)C1C[NH2+]C1 ZINC001334706583 888291841 /nfs/dbraw/zinc/29/18/41/888291841.db2.gz FYEIJWDANNTFDT-VIFPVBQESA-N 2 0 252.318 -0.464 20 0 CBADRP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001334736867 888303186 /nfs/dbraw/zinc/30/31/86/888303186.db2.gz CEEKEMIXVQZEEU-ARFHVFGLSA-N 3 0 294.443 -0.266 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)C[C@H]1[NH3+] ZINC001335205786 888444778 /nfs/dbraw/zinc/44/47/78/888444778.db2.gz CQIYDTSBCCSNHG-FVCCEPFGSA-N 2 0 296.415 -0.219 20 0 CBADRP [NH3+]C1(CNC(=O)NC2CC[NH2+]CC2)CCOCC1 ZINC001335204173 888445211 /nfs/dbraw/zinc/44/52/11/888445211.db2.gz ZKGKDXPCZGAQON-UHFFFAOYSA-N 2 0 256.350 -0.455 20 0 CBADRP C[NH2+]CCOCCNC(=O)NCC1([NH3+])CCOCC1 ZINC001335203542 888445986 /nfs/dbraw/zinc/44/59/86/888445986.db2.gz UWFUIXTWFFOTNM-UHFFFAOYSA-N 2 0 274.365 -0.971 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC001335228913 888456419 /nfs/dbraw/zinc/45/64/19/888456419.db2.gz DUEKEDHMDNMYQK-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)C(=O)NC3C[NH2+]C3)C[C@@H]2C1 ZINC001335234946 888460393 /nfs/dbraw/zinc/46/03/93/888460393.db2.gz RGUACWSMGRPSRP-GMXVVIOVSA-N 2 0 294.399 -0.737 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCCC[NH3+])C[C@@H]2C1 ZINC001335234117 888460417 /nfs/dbraw/zinc/46/04/17/888460417.db2.gz JIVQGEXTBNTXMA-FRRDWIJNSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001335260567 888474276 /nfs/dbraw/zinc/47/42/76/888474276.db2.gz ACSSAXBVVXLFGF-AGIUHOORSA-N 2 0 296.415 -0.632 20 0 CBADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC001335266911 888476964 /nfs/dbraw/zinc/47/69/64/888476964.db2.gz ICJSZBIKZWBXCU-UBHSHLNASA-N 3 0 270.421 -0.249 20 0 CBADRP CCOC[C@H](O)C[NH2+]CCN1CC[NH+](CC)CC1 ZINC001335351514 888510878 /nfs/dbraw/zinc/51/08/78/888510878.db2.gz OQMOLADIPLFTBT-CYBMUJFWSA-N 2 0 259.394 -0.389 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCNCC[NH2+]CC1 ZINC001335350283 888511463 /nfs/dbraw/zinc/51/14/63/888511463.db2.gz GDFSJTPRRULREB-ZIAGYGMSSA-N 2 0 295.431 -0.182 20 0 CBADRP C[N@H+](C[C@H](O)CN[C@@H]1CCCCNC1=O)C1CC1 ZINC001335350389 888512002 /nfs/dbraw/zinc/51/20/02/888512002.db2.gz DVOBEXWDUQDJLN-VXGBXAGGSA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@H](C[C@H]1COCC[NH2+]1)NCC1([NH3+])CCOCC1 ZINC001335384234 888519184 /nfs/dbraw/zinc/51/91/84/888519184.db2.gz ZIWNZJAAJSZMJG-NEPJUHHUSA-N 2 0 257.378 -0.149 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCNCC[NH2+]CC1 ZINC001335384255 888519876 /nfs/dbraw/zinc/51/98/76/888519876.db2.gz MMLXFKXRKWAILG-KBPBESRZSA-N 2 0 295.431 -0.182 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCNCC[NH2+]CC1 ZINC001335384258 888520494 /nfs/dbraw/zinc/52/04/94/888520494.db2.gz MMLXFKXRKWAILG-ZIAGYGMSSA-N 2 0 295.431 -0.182 20 0 CBADRP COCCN1CC(CCO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001448200109 913252779 /nfs/dbraw/zinc/25/27/79/913252779.db2.gz FRKMZNZNZRSJAT-LBPRGKRZSA-N 2 0 285.388 -0.863 20 0 CBADRP CCN1C[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1=O ZINC001335421289 888529143 /nfs/dbraw/zinc/52/91/43/888529143.db2.gz JUHVVVHGNVEYPQ-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H](CNC(=O)N1CCNCC[NH2+]CC1)[NH+](C)C ZINC001335571764 888567585 /nfs/dbraw/zinc/56/75/85/888567585.db2.gz ZGNYUSUEPAXPOB-NSHDSACASA-N 2 0 257.382 -0.859 20 0 CBADRP CC(C)OCC[C@H](O)C[NH2+]C[C@@]1(O)CCN(C)C1 ZINC001335458599 888537566 /nfs/dbraw/zinc/53/75/66/888537566.db2.gz RHJGKLNKMBINFX-STQMWFEESA-N 2 0 260.378 -0.181 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC[C@H](O)C1(O)CCCC1 ZINC001335461253 888537708 /nfs/dbraw/zinc/53/77/08/888537708.db2.gz VEHKETAOFRCAAI-NWDGAFQWSA-N 2 0 260.378 -0.445 20 0 CBADRP C[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1nncn1C ZINC001335499021 888547985 /nfs/dbraw/zinc/54/79/85/888547985.db2.gz GOSNCATXGPEPDQ-RYUDHWBXSA-N 2 0 267.377 -0.035 20 0 CBADRP [NH3+]C[C@H]1CN(C[C@@H]2CCc3ncnn32)CCCO1 ZINC001335521816 888553238 /nfs/dbraw/zinc/55/32/38/888553238.db2.gz MHCWKRGDJNVGAO-QWRGUYRKSA-N 2 0 251.334 -0.185 20 0 CBADRP C[NH2+]CCNC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001335539026 888559891 /nfs/dbraw/zinc/55/98/91/888559891.db2.gz ZVGMYOURWADGLK-UHFFFAOYSA-N 2 0 271.409 -0.420 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001335538351 888561156 /nfs/dbraw/zinc/56/11/56/888561156.db2.gz RSOVHKZPFVBVTD-CQSZACIVSA-N 2 0 297.447 -0.077 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001335556452 888564835 /nfs/dbraw/zinc/56/48/35/888564835.db2.gz WLKQKIQLIFKCKU-WYUUTHIRSA-N 2 0 252.362 -0.012 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCNCC[NH2+]CC1 ZINC001335568884 888566903 /nfs/dbraw/zinc/56/69/03/888566903.db2.gz SFDCSIKGTMCJNL-SNVBAGLBSA-N 2 0 291.346 -0.812 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)NCC[NH2+]C1CC1 ZINC001335585078 888573007 /nfs/dbraw/zinc/57/30/07/888573007.db2.gz SGYHANDYYWISHC-LBPRGKRZSA-N 2 0 270.377 -0.242 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC001335586789 888573416 /nfs/dbraw/zinc/57/34/16/888573416.db2.gz CWRAJUMMLYZJBW-QWRGUYRKSA-N 2 0 256.350 -0.632 20 0 CBADRP O=C(NCCCCCN1CC[NH2+]CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001335595015 888575402 /nfs/dbraw/zinc/57/54/02/888575402.db2.gz FLHVVIJERNYGSO-WDNDVIMCSA-N 2 0 295.431 -0.421 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)N1CC[NH2+]C[C@H]1CCOC ZINC001335595644 888575580 /nfs/dbraw/zinc/57/55/80/888575580.db2.gz KKGNOOSKZCGHNB-GHMZBOCLSA-N 2 0 258.366 -0.256 20 0 CBADRP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)NC[C@H]1COCC[NH2+]1 ZINC001335618813 888582214 /nfs/dbraw/zinc/58/22/14/888582214.db2.gz SJLIHLAUZBYLSW-NTZNESFSSA-N 2 0 268.361 -0.502 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC001335646164 888591851 /nfs/dbraw/zinc/59/18/51/888591851.db2.gz MNCRHKWGFZETET-NSHDSACASA-N 2 0 255.366 -0.848 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@H](C[NH3+])C1 ZINC001335692329 888605523 /nfs/dbraw/zinc/60/55/23/888605523.db2.gz PJEOTKPLLQPNMN-IRCOFANPSA-N 2 0 267.377 -0.836 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001335751160 888620782 /nfs/dbraw/zinc/62/07/82/888620782.db2.gz JNZGIEIGUKAHSQ-LPWJVIDDSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)C(=O)NCC[NH3+])C[C@H]2C1 ZINC001335778508 888626176 /nfs/dbraw/zinc/62/61/76/888626176.db2.gz RGFUHLAHSZXXPC-QJPTWQEYSA-N 2 0 282.388 -0.750 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001335841232 888641516 /nfs/dbraw/zinc/64/15/16/888641516.db2.gz BHZAJGIZHUDJKL-FPYNETTCSA-N 2 0 265.357 -0.426 20 0 CBADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@H](O)COC)CC1 ZINC001335935395 888657662 /nfs/dbraw/zinc/65/76/62/888657662.db2.gz XHQZOALKJGVZTE-OLZOCXBDSA-N 2 0 259.394 -0.391 20 0 CBADRP [NH3+]C/C=C\CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001336131789 888699869 /nfs/dbraw/zinc/69/98/69/888699869.db2.gz BNOSVUARUZBZDG-FEAJGASRSA-N 2 0 282.388 -0.258 20 0 CBADRP [NH3+]C/C=C/CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001336131786 888700047 /nfs/dbraw/zinc/70/00/47/888700047.db2.gz BNOSVUARUZBZDG-DKZVVXNFSA-N 2 0 282.388 -0.258 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)NCCN1CCC([NH3+])CC1 ZINC001336124292 888700104 /nfs/dbraw/zinc/70/01/04/888700104.db2.gz KTQBBFMVWQFEPK-SNVBAGLBSA-N 2 0 257.382 -0.554 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC001336152608 888705820 /nfs/dbraw/zinc/70/58/20/888705820.db2.gz YISSAZJCSJPJCB-YPMHNXCESA-N 2 0 270.377 -0.125 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001336158055 888705897 /nfs/dbraw/zinc/70/58/97/888705897.db2.gz GAPRJCROBKFANB-NNYUYHANSA-N 2 0 252.362 -0.012 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCNCC[NH2+]CC1 ZINC001336150605 888706278 /nfs/dbraw/zinc/70/62/78/888706278.db2.gz LCGHTNFABYAWFF-GFCCVEGCSA-N 2 0 269.393 -0.715 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001336252529 888729333 /nfs/dbraw/zinc/72/93/33/888729333.db2.gz PBEJCDVIZUBVRC-XZUYRWCXSA-N 2 0 268.361 -0.755 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001336650939 888832544 /nfs/dbraw/zinc/83/25/44/888832544.db2.gz XFTAFGBUZZOBCY-MROQNXINSA-N 2 0 296.415 -0.362 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC001336678287 888843006 /nfs/dbraw/zinc/84/30/06/888843006.db2.gz YRVWIUMARMKZIO-NWDGAFQWSA-N 2 0 296.415 -0.489 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001336687225 888846162 /nfs/dbraw/zinc/84/61/62/888846162.db2.gz LVYJQSXARMTJEB-YPMHNXCESA-N 2 0 255.362 -0.443 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001336686516 888846761 /nfs/dbraw/zinc/84/67/61/888846761.db2.gz DVYXZGIPYMMZCJ-WZRBSPASSA-N 2 0 255.362 -0.273 20 0 CBADRP C[C@H](NC(=O)c1c(C[NH3+])cnn1C)[C@H]1CCC[NH2+]C1 ZINC001336709108 888851470 /nfs/dbraw/zinc/85/14/70/888851470.db2.gz QVUBUQBXJHWUQN-UWVGGRQHSA-N 2 0 265.361 -0.003 20 0 CBADRP [NH3+]CCOCC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001336732056 888861444 /nfs/dbraw/zinc/86/14/44/888861444.db2.gz MRVSLDYYIQZHCR-IUCAKERBSA-N 2 0 283.294 -0.053 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]2)C[C@@H]1C(F)(F)F ZINC001336741693 888863268 /nfs/dbraw/zinc/86/32/68/888863268.db2.gz ISXFKSFOULNWKI-GJMOJQLCSA-N 2 0 251.252 -0.056 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001336742849 888863516 /nfs/dbraw/zinc/86/35/16/888863516.db2.gz RTCPSSMUNGNADN-DTWKUNHWSA-N 2 0 251.334 -0.094 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]2)C[C@H]1C(F)(F)F ZINC001336741692 888863536 /nfs/dbraw/zinc/86/35/36/888863536.db2.gz ISXFKSFOULNWKI-BWZBUEFSSA-N 2 0 251.252 -0.056 20 0 CBADRP C[NH+](C)CCCC[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC001336763220 888872439 /nfs/dbraw/zinc/87/24/39/888872439.db2.gz MFOZAMOMIYFQPD-QWHCGFSZSA-N 2 0 260.378 -0.180 20 0 CBADRP C[N@H+]1CC=C(C[NH2+]C[C@@H](O)C2(O)CCOCC2)CC1 ZINC001336769951 888874772 /nfs/dbraw/zinc/87/47/72/888874772.db2.gz FMGJFCDQYLLKEJ-CYBMUJFWSA-N 2 0 270.373 -0.260 20 0 CBADRP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C(C)(C)O ZINC001336769656 888876534 /nfs/dbraw/zinc/87/65/34/888876534.db2.gz BSUXXGFVLCYZCB-RYUDHWBXSA-N 2 0 259.394 -0.656 20 0 CBADRP CN(C)C1(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001336785674 888880448 /nfs/dbraw/zinc/88/04/48/888880448.db2.gz RBIQIFFBHRDQDR-ZDUSSCGKSA-N 2 0 270.421 -0.722 20 0 CBADRP C[C@H](O)C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC001336794859 888881993 /nfs/dbraw/zinc/88/19/93/888881993.db2.gz OIWYYULZVITNRD-LBPRGKRZSA-N 2 0 257.378 -0.051 20 0 CBADRP Cn1ncnc1CCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC001336833579 888895140 /nfs/dbraw/zinc/89/51/40/888895140.db2.gz JGMHFGRETALSSG-LBPRGKRZSA-N 2 0 267.377 -0.206 20 0 CBADRP CC1(C)CN(C(=O)NCCCN2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001336882371 888908031 /nfs/dbraw/zinc/90/80/31/888908031.db2.gz AKQCIMMDHYRRPM-LBPRGKRZSA-N 2 0 283.420 -0.340 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N[C@H](CC[NH3+])C(F)F ZINC001336908014 888915530 /nfs/dbraw/zinc/91/55/30/888915530.db2.gz JOFDXSYUICQDLN-BWZBUEFSSA-N 2 0 250.293 -0.124 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC001336920470 888922947 /nfs/dbraw/zinc/92/29/47/888922947.db2.gz DHQDDLSSPXDLEE-YPMHNXCESA-N 2 0 270.377 -0.255 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC001336920464 888923277 /nfs/dbraw/zinc/92/32/77/888923277.db2.gz DHQDDLSSPXDLEE-AAEUAGOBSA-N 2 0 270.377 -0.255 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCNCC[NH2+]CC1 ZINC001336932506 888924194 /nfs/dbraw/zinc/92/41/94/888924194.db2.gz IVQHRINSZHTRSP-GFCCVEGCSA-N 2 0 281.404 -0.525 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001336977116 888940921 /nfs/dbraw/zinc/94/09/21/888940921.db2.gz UGYINMUWWTVLOL-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCO1 ZINC001337043941 888953387 /nfs/dbraw/zinc/95/33/87/888953387.db2.gz QCCQZDLHVFHAFL-ZIQFBCGOSA-N 2 0 268.361 -0.363 20 0 CBADRP CCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC001337095838 888963101 /nfs/dbraw/zinc/96/31/01/888963101.db2.gz VELAGFDDYVCEAI-QWRGUYRKSA-N 2 0 268.361 -0.935 20 0 CBADRP O=C(N1CCCC[C@]2(CC[NH2+]C2)C1)C1(O)C[NH2+]C1 ZINC001337113315 888963465 /nfs/dbraw/zinc/96/34/65/888963465.db2.gz QABASTVUUZXVMH-GFCCVEGCSA-N 2 0 253.346 -0.687 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@@H+]1C ZINC001337359401 888996857 /nfs/dbraw/zinc/99/68/57/888996857.db2.gz VJWBEZWKJGIDTD-BJDJZHNGSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC001337375539 888996982 /nfs/dbraw/zinc/99/69/82/888996982.db2.gz KFRCWYQRBBZBPV-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001337485207 889019779 /nfs/dbraw/zinc/01/97/79/889019779.db2.gz KLHGPQHITOYJQG-TUAOUCFPSA-N 2 0 282.388 -0.560 20 0 CBADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CC[NH2+]CC[NH2+]CC1 ZINC001337838997 889085554 /nfs/dbraw/zinc/08/55/54/889085554.db2.gz YYWASHLFQFFPKY-CYBMUJFWSA-N 3 0 293.419 -0.803 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC001338031071 889107477 /nfs/dbraw/zinc/10/74/77/889107477.db2.gz JJTQQFQSEOAYMF-DTWKUNHWSA-N 2 0 262.304 -0.026 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001448507613 913312298 /nfs/dbraw/zinc/31/22/98/913312298.db2.gz CDSCWWLIOPUNOL-XYPYZODXSA-N 2 0 270.377 -0.702 20 0 CBADRP [NH3+]C[C@H]1CCCN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC001338369654 889148371 /nfs/dbraw/zinc/14/83/71/889148371.db2.gz VLHNFVINULYLST-NEPJUHHUSA-N 2 0 267.373 -0.048 20 0 CBADRP C[NH+]1CCC(OCC(=O)NC2CC[NH2+]CC2)CC1 ZINC001338369040 889148627 /nfs/dbraw/zinc/14/86/27/889148627.db2.gz NYWAMLALNMOSNB-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CC23CCOCC3)C1 ZINC001338369655 889149226 /nfs/dbraw/zinc/14/92/26/889149226.db2.gz VLHNFVINULYLST-NWDGAFQWSA-N 2 0 267.373 -0.048 20 0 CBADRP CN1CC[C@@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1=O ZINC001338421456 889155942 /nfs/dbraw/zinc/15/59/42/889155942.db2.gz DGMCWBYDIFNXQR-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP CN1CC[C@@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1=O ZINC001338421458 889156311 /nfs/dbraw/zinc/15/63/11/889156311.db2.gz DGMCWBYDIFNXQR-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP [NH3+]C1(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001338518334 889170162 /nfs/dbraw/zinc/17/01/62/889170162.db2.gz ALBWGHXTLKSANK-GHMZBOCLSA-N 2 0 268.361 -0.360 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001338647869 889186541 /nfs/dbraw/zinc/18/65/41/889186541.db2.gz YUMORZNTTRARSK-GFCCVEGCSA-N 2 0 271.409 -0.292 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001338759381 889198838 /nfs/dbraw/zinc/19/88/38/889198838.db2.gz PLSGEGIXOBGTCW-NNYUYHANSA-N 2 0 268.361 -0.755 20 0 CBADRP [NH3+][C@@H]1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC001339223728 889253484 /nfs/dbraw/zinc/25/34/84/889253484.db2.gz LRPJKHGVRVWIEH-MNOVXSKESA-N 2 0 250.350 -0.264 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001339722873 889313135 /nfs/dbraw/zinc/31/31/35/889313135.db2.gz GBGYGRANQHWHMB-RWMBFGLXSA-N 2 0 266.389 -0.415 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)C[C@H](C)[NH2+]1 ZINC001339716150 889313446 /nfs/dbraw/zinc/31/34/46/889313446.db2.gz SRYZYEYMIAADRS-XQHKEYJVSA-N 2 0 266.389 -0.417 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)C[C@@H](C)[NH2+]1 ZINC001339716148 889314113 /nfs/dbraw/zinc/31/41/13/889314113.db2.gz SRYZYEYMIAADRS-NDBYEHHHSA-N 2 0 266.389 -0.417 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC001339726609 889314496 /nfs/dbraw/zinc/31/44/96/889314496.db2.gz WSRFRIYKRLONQM-AAEUAGOBSA-N 2 0 287.404 -0.441 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2CCNCC[NH2+]CC2)CC1 ZINC001339933952 889347216 /nfs/dbraw/zinc/34/72/16/889347216.db2.gz RJPHYYISUZMXRG-UHFFFAOYSA-N 3 0 297.447 -0.918 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCCC[NH+]1CCOCC1 ZINC001340042006 889368571 /nfs/dbraw/zinc/36/85/71/889368571.db2.gz RRMIMUYBUUBFHW-OLZOCXBDSA-N 2 0 287.404 -0.569 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC001340062166 889377727 /nfs/dbraw/zinc/37/77/27/889377727.db2.gz MPNOYYKUANKPLZ-SRVKXCTJSA-N 2 0 257.378 -0.339 20 0 CBADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[NH2+]CCN2C)CC[N@@H+]1C ZINC001340105577 889386615 /nfs/dbraw/zinc/38/66/15/889386615.db2.gz NZVUGJLFUPEJLJ-AGIUHOORSA-N 2 0 268.405 -0.169 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)[C@@H](C)C[NH2+]1 ZINC001340127399 889388010 /nfs/dbraw/zinc/38/80/10/889388010.db2.gz AWMVFGCSCQZUAY-XQHKEYJVSA-N 2 0 266.389 -0.417 20 0 CBADRP CC1(CNC(=O)C[C@@]2(O)CCC[NH2+]C2)CC[NH2+]CC1 ZINC001340128809 889392539 /nfs/dbraw/zinc/39/25/39/889392539.db2.gz QHBRLQSGQNKHFP-AWEZNQCLSA-N 2 0 269.389 -0.003 20 0 CBADRP C[N@@H+]1CCCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001340133357 889392927 /nfs/dbraw/zinc/39/29/27/889392927.db2.gz KGPQJGXAVSKBOE-ZDUSSCGKSA-N 2 0 255.362 -0.345 20 0 CBADRP CC1(NC(=O)C[C@]2(O)CCC[NH2+]C2)CC[NH2+]CC1 ZINC001340147790 889395417 /nfs/dbraw/zinc/39/54/17/889395417.db2.gz PGCBQNICHZPZJX-CYBMUJFWSA-N 2 0 255.362 -0.251 20 0 CBADRP [NH3+][C@H](Cc1ccccn1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001340163222 889398584 /nfs/dbraw/zinc/39/85/84/889398584.db2.gz JMPYHMSIZCUUEI-ZMLRMANQSA-N 2 0 266.320 -0.232 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001340172618 889401505 /nfs/dbraw/zinc/40/15/05/889401505.db2.gz KPSWOMMJUBIOAV-FRRDWIJNSA-N 2 0 269.389 -0.074 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc2c(n1)C[NH2+]CC2 ZINC001340165606 889401237 /nfs/dbraw/zinc/40/12/37/889401237.db2.gz UJNHLNVLDZECPU-IWIIMEHWSA-N 2 0 258.325 -0.325 20 0 CBADRP C[NH+](C)CCCCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001340173317 889401607 /nfs/dbraw/zinc/40/16/07/889401607.db2.gz QTWGNFGUKFJBAM-ZDUSSCGKSA-N 2 0 257.378 -0.051 20 0 CBADRP C[C@@]1(C(=O)NCCC[NH+]2CCC(O)CC2)C[C@@H](O)C[NH2+]1 ZINC001340166882 889402579 /nfs/dbraw/zinc/40/25/79/889402579.db2.gz FGWBCBVUTFAODG-OCCSQVGLSA-N 2 0 285.388 -0.938 20 0 CBADRP C[NH+]1CCC(OCC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001340182930 889403774 /nfs/dbraw/zinc/40/37/74/889403774.db2.gz NNDJSUGCWOUAOT-YPMHNXCESA-N 2 0 267.373 -0.083 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC001340182709 889403998 /nfs/dbraw/zinc/40/39/98/889403998.db2.gz LCTAVSPMRJOGKC-SFYZADRCSA-N 2 0 268.283 -0.714 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CNCC[NH3+] ZINC001340191266 889404436 /nfs/dbraw/zinc/40/44/36/889404436.db2.gz SCLIEFYSVYGQNQ-RYUDHWBXSA-N 2 0 256.394 -0.229 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CNCC[NH3+] ZINC001340191264 889404919 /nfs/dbraw/zinc/40/49/19/889404919.db2.gz SCLIEFYSVYGQNQ-NWDGAFQWSA-N 2 0 256.394 -0.229 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC001340183973 889405544 /nfs/dbraw/zinc/40/55/44/889405544.db2.gz PQRRMNFFNHYHQI-WOPDTQHZSA-N 2 0 266.389 -0.369 20 0 CBADRP [NH3+]CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC(O)C1 ZINC001340282163 889417197 /nfs/dbraw/zinc/41/71/97/889417197.db2.gz PVEQVSIHROINBH-UYVFGJEYSA-N 2 0 253.346 -0.561 20 0 CBADRP C[C@@]1(CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CCC[NH2+]C1 ZINC001340266659 889417425 /nfs/dbraw/zinc/41/74/25/889417425.db2.gz OQDZRICOFHFXNN-SWLSCSKDSA-N 2 0 296.415 -0.310 20 0 CBADRP [NH3+]CCCCNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340265793 889417874 /nfs/dbraw/zinc/41/78/74/889417874.db2.gz IWQOVKZZJSZACC-UHFFFAOYSA-N 2 0 254.334 -0.260 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001340296246 889419128 /nfs/dbraw/zinc/41/91/28/889419128.db2.gz HJTQQYBTPZRYLJ-HBJVGIJOSA-N 2 0 269.389 -0.006 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340312065 889422057 /nfs/dbraw/zinc/42/20/57/889422057.db2.gz LPAOQWXXTWRMMC-BDAKNGLRSA-N 2 0 254.334 -0.263 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001340349922 889424645 /nfs/dbraw/zinc/42/46/45/889424645.db2.gz PHXFNKYSYVVKOY-LOWDOPEQSA-N 2 0 266.389 -0.369 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001340464221 889434699 /nfs/dbraw/zinc/43/46/99/889434699.db2.gz UMEXOJWWDMDCAC-UTUOFQBUSA-N 2 0 252.362 -0.757 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC001340467727 889436124 /nfs/dbraw/zinc/43/61/24/889436124.db2.gz BKRJVZCJICLRAT-IJLUTSLNSA-N 2 0 268.405 -0.136 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001340532189 889442933 /nfs/dbraw/zinc/44/29/33/889442933.db2.gz YDCCGXDHYGSTSO-ZDUSSCGKSA-N 2 0 299.415 -0.161 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)C[C@H]1C[NH3+] ZINC001340555806 889447905 /nfs/dbraw/zinc/44/79/05/889447905.db2.gz JMZCMTYNJULRFC-UJPOAAIJSA-N 2 0 267.373 -0.336 20 0 CBADRP C[C@]1(C(=O)NCCC2CC[NH2+]CC2)C[C@H](O)C[NH2+]1 ZINC001340560497 889448748 /nfs/dbraw/zinc/44/87/48/889448748.db2.gz XTKPOKXYJNDVSL-WCQYABFASA-N 2 0 255.362 -0.395 20 0 CBADRP CCO[C@@H]1CN(C(=O)C23CC(C2)C[NH2+]3)C[C@H]1C[NH3+] ZINC001340561897 889448893 /nfs/dbraw/zinc/44/88/93/889448893.db2.gz ZYVZUUZKVMOTHN-QRVCZOOMSA-N 2 0 253.346 -0.439 20 0 CBADRP C[C@@]1(C(=O)NCCC2CC[NH2+]CC2)C[C@H](O)C[NH2+]1 ZINC001340560493 889449412 /nfs/dbraw/zinc/44/94/12/889449412.db2.gz XTKPOKXYJNDVSL-AAEUAGOBSA-N 2 0 255.362 -0.395 20 0 CBADRP [NH3+][C@@H](C(=O)NCC1(O)C[NH2+]C1)c1cccc(Cl)c1 ZINC001340596855 889451053 /nfs/dbraw/zinc/45/10/53/889451053.db2.gz UGIYHWHYRCMAFY-SNVBAGLBSA-N 2 0 269.732 -0.210 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001340615876 889453695 /nfs/dbraw/zinc/45/36/95/889453695.db2.gz PGXXRXNOHQSJJL-QWRGUYRKSA-N 2 0 253.346 -0.282 20 0 CBADRP O=C(CCC12CC(C1)C[NH2+]2)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001340613596 889455148 /nfs/dbraw/zinc/45/51/48/889455148.db2.gz FRTJKEKOAFLELE-QWKFWESOSA-N 2 0 265.357 -0.234 20 0 CBADRP [NH3+]C[C@@H](O)CNC(=O)[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001340643870 889459734 /nfs/dbraw/zinc/45/97/34/889459734.db2.gz KJIWCOPVQIABCV-NEPJUHHUSA-N 2 0 269.389 -0.018 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001340663034 889462789 /nfs/dbraw/zinc/46/27/89/889462789.db2.gz YYTSDFQNHQLOLC-FDWMKNOZSA-N 2 0 265.357 -0.519 20 0 CBADRP C[C@]1(C(=O)N2CCC(CC[NH3+])CC2)C[C@@H](O)C[NH2+]1 ZINC001340684480 889465654 /nfs/dbraw/zinc/46/56/54/889465654.db2.gz JNNOYFWOKTVMPG-DGCLKSJQSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCC1([NH3+])CCOCC1 ZINC001340704779 889470197 /nfs/dbraw/zinc/47/01/97/889470197.db2.gz VBUBNUNWHSHDEC-GHMZBOCLSA-N 2 0 255.362 -0.144 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001340705270 889471016 /nfs/dbraw/zinc/47/10/16/889471016.db2.gz PGXDSMPSKQFKOI-WDEREUQCSA-N 2 0 255.362 -0.585 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001340847266 889498396 /nfs/dbraw/zinc/49/83/96/889498396.db2.gz YPOQQWACOSRNSH-GVXVVHGQSA-N 2 0 257.378 -0.054 20 0 CBADRP C[C@H](C(=O)NCC1(O)C[NH2+]C1)[C@H]([NH3+])c1ccccc1 ZINC001340711100 889471486 /nfs/dbraw/zinc/47/14/86/889471486.db2.gz ZFOSUCPKLBCZHY-JQWIXIFHSA-N 2 0 263.341 -0.227 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001340735327 889475962 /nfs/dbraw/zinc/47/59/62/889475962.db2.gz MHFJFUBYKIGKIH-QWRGUYRKSA-N 2 0 269.345 -0.998 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC001340747195 889479366 /nfs/dbraw/zinc/47/93/66/889479366.db2.gz KDPXBVFHZRAJOY-QWRGUYRKSA-N 2 0 255.362 -0.585 20 0 CBADRP C[C@H](NC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1)C1CC[NH2+]CC1 ZINC001340787011 889487621 /nfs/dbraw/zinc/48/76/21/889487621.db2.gz JSXMAAHADLBXKE-UFGOTCBOSA-N 2 0 255.362 -0.396 20 0 CBADRP C[C@]1(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H](O)C[NH2+]1 ZINC001340807114 889489446 /nfs/dbraw/zinc/48/94/46/889489446.db2.gz HHQVVQIDADSSSB-VHRBIJSZSA-N 2 0 267.373 -0.300 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)Cc1csc(C[NH3+])n1 ZINC001340833556 889492111 /nfs/dbraw/zinc/49/21/11/889492111.db2.gz QSNOOXAMVWMTBE-UHFFFAOYSA-N 2 0 286.401 -0.161 20 0 CBADRP C[NH2+]CCOCCNC(=O)c1cc2n(n1)CCC[C@@H]2[NH3+] ZINC001340832027 889492977 /nfs/dbraw/zinc/49/29/77/889492977.db2.gz KOYBACVIHFJTHQ-JTQLQIEISA-N 2 0 281.360 -0.358 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC001340837712 889495520 /nfs/dbraw/zinc/49/55/20/889495520.db2.gz BRHXKWLXFNUAPH-NWDGAFQWSA-N 2 0 255.362 -0.217 20 0 CBADRP O=C(C1CC[NH+](C2CC2)CC1)N1CC[NH2+]C[C@@H]1CO ZINC001340847390 889498614 /nfs/dbraw/zinc/49/86/14/889498614.db2.gz NUOVBTXOZWFGMT-CYBMUJFWSA-N 2 0 267.373 -0.347 20 0 CBADRP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001340865254 889500197 /nfs/dbraw/zinc/50/01/97/889500197.db2.gz GTCRVOROZWLQQT-RYUDHWBXSA-N 2 0 257.378 -0.053 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001340865255 889500396 /nfs/dbraw/zinc/50/03/96/889500396.db2.gz GTCRVOROZWLQQT-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001340865283 889500427 /nfs/dbraw/zinc/50/04/27/889500427.db2.gz HITYYLPZAZGNOY-NWDGAFQWSA-N 2 0 269.389 -0.195 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C[C@@H](O)C[NH3+] ZINC001340880362 889504281 /nfs/dbraw/zinc/50/42/81/889504281.db2.gz MNLXZBINZFICMP-GHMZBOCLSA-N 2 0 261.366 -0.831 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001340905528 889509420 /nfs/dbraw/zinc/50/94/20/889509420.db2.gz GPARAHKDOFNXNA-SKDRFNHKSA-N 2 0 254.334 -0.262 20 0 CBADRP [NH3+][C@H](CNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2)C1CC1 ZINC001340906974 889509439 /nfs/dbraw/zinc/50/94/39/889509439.db2.gz OQTKGGFEPLPHHB-ZWNOBZJWSA-N 2 0 266.345 -0.262 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)n1 ZINC001340911655 889514313 /nfs/dbraw/zinc/51/43/13/889514313.db2.gz JBVQKXMNTSCBMR-AOOOYVTPSA-N 2 0 251.334 -0.301 20 0 CBADRP C[C@H](CC(=O)N1CC[NH2+]C[C@@H]1CO)C1CC[NH2+]CC1 ZINC001340954454 889521848 /nfs/dbraw/zinc/52/18/48/889521848.db2.gz RJCHXRAUQDJYRC-DGCLKSJQSA-N 2 0 269.389 -0.195 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1C[NH2+]CCN1C ZINC001341040061 889536138 /nfs/dbraw/zinc/53/61/38/889536138.db2.gz GEJWRFJOKBMJOR-LBPRGKRZSA-N 2 0 254.378 -0.557 20 0 CBADRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)C[C@H]1COCC[NH2+]1 ZINC001341029362 889536514 /nfs/dbraw/zinc/53/65/14/889536514.db2.gz PYDLGBJIQSVZCT-BJDJZHNGSA-N 2 0 255.362 -0.038 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N2NC(=O)CC23CC[NH2+]CC3)C1 ZINC001341044923 889537162 /nfs/dbraw/zinc/53/71/62/889537162.db2.gz ICKCIQIOOUXGPU-DTORHVGOSA-N 2 0 252.318 -0.891 20 0 CBADRP CCO[C@@H](CNC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)C[NH+](C)C ZINC001341057093 889540090 /nfs/dbraw/zinc/54/00/90/889540090.db2.gz IJERYHWVLGEYAS-QNWHQSFQSA-N 2 0 269.389 -0.075 20 0 CBADRP [NH3+]CCc1ccc(C(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC001341096074 889542085 /nfs/dbraw/zinc/54/20/85/889542085.db2.gz FFDOTZXEWNJYDZ-ZDUSSCGKSA-N 2 0 263.341 -0.094 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH3+])C1 ZINC001341244634 889566321 /nfs/dbraw/zinc/56/63/21/889566321.db2.gz QSJADORQFAZTHQ-NXEZZACHSA-N 2 0 257.334 -0.536 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)CN1CC[NH2+]CC1 ZINC001341143270 889547418 /nfs/dbraw/zinc/54/74/18/889547418.db2.gz DXVNJBLPKATUHL-SDDRHHMPSA-N 2 0 254.378 -0.511 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001341124047 889548148 /nfs/dbraw/zinc/54/81/48/889548148.db2.gz SMQOIDSGMPQUNV-KXNHARMFSA-N 2 0 257.378 -0.354 20 0 CBADRP [NH3+]CC1(C(=O)NCCCCCN2CC[NH2+]CC2)CC(O)C1 ZINC001341188026 889553111 /nfs/dbraw/zinc/55/31/11/889553111.db2.gz OUSLPVPGHIYAKQ-UHFFFAOYSA-N 2 0 298.431 -0.722 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001341221059 889558699 /nfs/dbraw/zinc/55/86/99/889558699.db2.gz FRSHJZKWESZPTE-NEPJUHHUSA-N 2 0 254.378 -0.604 20 0 CBADRP [NH3+][C@@H](CC(=O)N1CCNCC[NH2+]CC1)Cc1ccccc1 ZINC001341222276 889559503 /nfs/dbraw/zinc/55/95/03/889559503.db2.gz KXWFMCVPQHEEQI-OAHLLOKOSA-N 2 0 290.411 -0.032 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001341237278 889562532 /nfs/dbraw/zinc/56/25/32/889562532.db2.gz NWSCAEZXMIQHLL-HBNTYKKESA-N 2 0 268.361 -0.902 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@H]1CCCC[NH2+]1 ZINC001341243731 889565806 /nfs/dbraw/zinc/56/58/06/889565806.db2.gz KABLGVWUSBJMSU-UPJWGTAASA-N 2 0 266.389 -0.367 20 0 CBADRP C[C@@H]1CN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)C[C@H]1[NH3+] ZINC001341255081 889566114 /nfs/dbraw/zinc/56/61/14/889566114.db2.gz CXPLTRIVMHOACZ-BREBYQMCSA-N 2 0 266.345 -0.310 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)C1 ZINC001341243640 889566713 /nfs/dbraw/zinc/56/67/13/889566713.db2.gz IOEYXPSZSNFECI-UPJWGTAASA-N 2 0 266.389 -0.415 20 0 CBADRP O=C(NCCC[NH2+]C1CC1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341281542 889568060 /nfs/dbraw/zinc/56/80/60/889568060.db2.gz TZCCDRVHGAXDDB-SNVBAGLBSA-N 2 0 280.372 -0.935 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC001341291266 889572658 /nfs/dbraw/zinc/57/26/58/889572658.db2.gz LTYUTQQHUXVCIB-RYUDHWBXSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001341318436 889574520 /nfs/dbraw/zinc/57/45/20/889574520.db2.gz OIYLHAAEXAMHQL-YFKTTZPYSA-N 2 0 257.378 -0.341 20 0 CBADRP [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)CN1CC[NH2+]CC1 ZINC001341335838 889576422 /nfs/dbraw/zinc/57/64/22/889576422.db2.gz OVHACAUPKORZBX-TZMCWYRMSA-N 2 0 266.389 -0.379 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC[C@H](C[NH3+])C1 ZINC001341354075 889580074 /nfs/dbraw/zinc/58/00/74/889580074.db2.gz PJSTZHWDQAPJPG-UPJWGTAASA-N 2 0 266.389 -0.428 20 0 CBADRP CN1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC[N@H+](C)CC1 ZINC001341394742 889589234 /nfs/dbraw/zinc/58/92/34/889589234.db2.gz DKPJDFFXSAIJNW-CYBMUJFWSA-N 2 0 266.389 -0.260 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001341444899 889599566 /nfs/dbraw/zinc/59/95/66/889599566.db2.gz ANHKCDPFSORDTH-JTQLQIEISA-N 2 0 259.350 -0.684 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC001341467071 889601460 /nfs/dbraw/zinc/60/14/60/889601460.db2.gz QWPNJQWKLRMNMO-MFKMUULPSA-N 2 0 255.362 -0.144 20 0 CBADRP O=C(CC[NH2+]C1CC1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001341477587 889604399 /nfs/dbraw/zinc/60/43/99/889604399.db2.gz PWMRHNICRNVFOT-LBPRGKRZSA-N 2 0 255.362 -0.299 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001341490141 889607593 /nfs/dbraw/zinc/60/75/93/889607593.db2.gz YQPMTJGBVJOQMQ-CWSCBRNRSA-N 2 0 266.345 -0.249 20 0 CBADRP C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)N(C)C ZINC001448731258 913363427 /nfs/dbraw/zinc/36/34/27/913363427.db2.gz IUHJCVIQIMIUNE-GFCCVEGCSA-N 2 0 298.431 -0.147 20 0 CBADRP O=C(C1=NOC2(C1)CC[NH2+]CC2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001341503234 889609383 /nfs/dbraw/zinc/60/93/83/889609383.db2.gz QYMKMRJJWKODSK-UWVGGRQHSA-N 2 0 264.329 -0.542 20 0 CBADRP C[C@]1(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C[C@@H](O)C[NH2+]1 ZINC001341508814 889609880 /nfs/dbraw/zinc/60/98/80/889609880.db2.gz OUZVOCJFCOEEMV-PRULPYPASA-N 2 0 255.362 -0.267 20 0 CBADRP CN1CCN(C)CCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC001341511926 889611640 /nfs/dbraw/zinc/61/16/40/889611640.db2.gz MOPKIMQFNAMGDI-CHWSQXEVSA-N 2 0 286.395 -0.360 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001341525114 889614344 /nfs/dbraw/zinc/61/43/44/889614344.db2.gz JAHQYDOXBTXFPI-JRKPZEMJSA-N 2 0 266.345 -0.645 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001341525111 889614754 /nfs/dbraw/zinc/61/47/54/889614754.db2.gz JAHQYDOXBTXFPI-IGJMFERPSA-N 2 0 266.345 -0.645 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC001341518287 889615309 /nfs/dbraw/zinc/61/53/09/889615309.db2.gz VLCMJHLCKBOTCC-SCRDCRAPSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC001341530799 889617749 /nfs/dbraw/zinc/61/77/49/889617749.db2.gz YBYSZVRJEKTQGL-CKYFFXLPSA-N 2 0 257.378 -0.293 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001341532779 889618361 /nfs/dbraw/zinc/61/83/61/889618361.db2.gz HNYMPVDAUOOPLQ-CYBMUJFWSA-N 2 0 296.415 -0.216 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001341547329 889620300 /nfs/dbraw/zinc/62/03/00/889620300.db2.gz MQAZHKAUTBEWLN-QJPTWQEYSA-N 2 0 252.362 -0.757 20 0 CBADRP [NH3+]CCNCC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC001341564882 889622454 /nfs/dbraw/zinc/62/24/54/889622454.db2.gz QGJSYDXWJDVPLT-HTQZYQBOSA-N 2 0 268.283 -0.870 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1CCCN(CC[NH3+])C1=O)C2 ZINC001341564521 889622803 /nfs/dbraw/zinc/62/28/03/889622803.db2.gz PBKPMQILJLBQFZ-YWPYICTPSA-N 2 0 294.399 -0.748 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC001341553932 889622807 /nfs/dbraw/zinc/62/28/07/889622807.db2.gz RILLCKIIXPYQTM-VWYCJHECSA-N 2 0 252.362 -0.724 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)C[C@]1(O)CCC[NH2+]C1)C1CC1 ZINC001341572191 889622982 /nfs/dbraw/zinc/62/29/82/889622982.db2.gz YEFQUQRSNDXESR-TZMCWYRMSA-N 2 0 269.389 -0.053 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001341571893 889623791 /nfs/dbraw/zinc/62/37/91/889623791.db2.gz WGHRWIHWCFCBCO-HIFRSBDPSA-N 2 0 299.415 -0.303 20 0 CBADRP CCC1([NH3+])CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001341595077 889629042 /nfs/dbraw/zinc/62/90/42/889629042.db2.gz XTLVAWHQUTVPJQ-GFCCVEGCSA-N 2 0 296.415 -0.086 20 0 CBADRP COCC[N@H+](C)CCNC(=O)C12CCC(CC1)[NH2+]2 ZINC001341586272 889629282 /nfs/dbraw/zinc/62/92/82/889629282.db2.gz SREOEKAWPBMBHT-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC001341586571 889629585 /nfs/dbraw/zinc/62/95/85/889629585.db2.gz XYBIXNLBYUSTEI-YPMHNXCESA-N 2 0 255.362 -0.177 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC001341587025 889629450 /nfs/dbraw/zinc/62/94/50/889629450.db2.gz SQDAZVSFWLDPCW-AAEUAGOBSA-N 2 0 294.399 -0.463 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]C[C@@H]1CO ZINC001341583016 889629527 /nfs/dbraw/zinc/62/95/27/889629527.db2.gz WCNTYSORZRBJNG-VXGBXAGGSA-N 2 0 255.362 -0.348 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+]C[C@@H]1CO ZINC001341583009 889629849 /nfs/dbraw/zinc/62/98/49/889629849.db2.gz WCNTYSORZRBJNG-NEPJUHHUSA-N 2 0 255.362 -0.348 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC001341626225 889634283 /nfs/dbraw/zinc/63/42/83/889634283.db2.gz DQTHPEKKQNQTBJ-XZUYRWCXSA-N 2 0 269.389 -0.056 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001341622001 889634346 /nfs/dbraw/zinc/63/43/46/889634346.db2.gz DRPYXKUVPOWUKS-DGCLKSJQSA-N 2 0 255.362 -0.312 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](O)C[NH3+])[C@H](C)C1 ZINC001341619468 889635057 /nfs/dbraw/zinc/63/50/57/889635057.db2.gz MREFXNVMSOKXHM-UTUOFQBUSA-N 2 0 257.378 -0.115 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC001341626227 889635259 /nfs/dbraw/zinc/63/52/59/889635259.db2.gz DQTHPEKKQNQTBJ-ZPFDUUQYSA-N 2 0 269.389 -0.056 20 0 CBADRP [NH3+]CCNCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001341616751 889635327 /nfs/dbraw/zinc/63/53/27/889635327.db2.gz BCUNYVAFMDLNPF-CYBMUJFWSA-N 2 0 268.405 -0.131 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC001341640531 889638050 /nfs/dbraw/zinc/63/80/50/889638050.db2.gz PHFGIOFVUQEOAF-XZUYRWCXSA-N 2 0 253.346 -0.439 20 0 CBADRP C[NH+](C)CCOc1ccc(NC(=O)[C@H]([NH3+])CO)cc1 ZINC001341644474 889639345 /nfs/dbraw/zinc/63/93/45/889639345.db2.gz GVNXMQDSSJWIJE-GFCCVEGCSA-N 2 0 267.329 -0.115 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC001341653688 889640107 /nfs/dbraw/zinc/64/01/07/889640107.db2.gz WZUMJAINZUAXQT-KKOKHZNYSA-N 2 0 255.362 -0.288 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@H]([NH3+])Cc1ccccn1 ZINC001341648637 889640653 /nfs/dbraw/zinc/64/06/53/889640653.db2.gz WIVAPCGWSAEUCG-NTZNESFSSA-N 2 0 262.357 -0.077 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C[C@H]1CC[NH3+] ZINC001341662879 889642123 /nfs/dbraw/zinc/64/21/23/889642123.db2.gz DRCPEPBQWRLHQZ-DDHJBXDOSA-N 2 0 255.362 -0.207 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC[NH2+]1 ZINC001341660033 889642983 /nfs/dbraw/zinc/64/29/83/889642983.db2.gz QHHKSEXBKXLOEP-FDYHWXHSSA-N 2 0 266.389 -0.369 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001341663208 889643046 /nfs/dbraw/zinc/64/30/46/889643046.db2.gz QDJJHQUUQPVYQI-MDZLAQPJSA-N 2 0 269.389 -0.197 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001341663210 889643217 /nfs/dbraw/zinc/64/32/17/889643217.db2.gz QDJJHQUUQPVYQI-WZRBSPASSA-N 2 0 269.389 -0.197 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001341672910 889645376 /nfs/dbraw/zinc/64/53/76/889645376.db2.gz PMVIMWBKEPQBKW-SMDDNHRTSA-N 2 0 267.373 -0.156 20 0 CBADRP O=C(C1=CCC[NH2+]CC1)N1CCN(CCO)CC1 ZINC001341673563 889645416 /nfs/dbraw/zinc/64/54/16/889645416.db2.gz GTWVOSLAZDSWIF-UHFFFAOYSA-N 2 0 253.346 -0.567 20 0 CBADRP NOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001341679397 889646250 /nfs/dbraw/zinc/64/62/50/889646250.db2.gz FGPMTGCLPZPECI-TXEJJXNPSA-N 2 0 268.361 -0.696 20 0 CBADRP C[N@H+](CCNC(=O)C[C@@]1(O)CCC[NH2+]C1)C1CC1 ZINC001341672681 889646532 /nfs/dbraw/zinc/64/65/32/889646532.db2.gz LPILSEKWYVLFRP-ZDUSSCGKSA-N 2 0 255.362 -0.299 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@]12C[C@H]1CCC[NH2+]2 ZINC001341688350 889649254 /nfs/dbraw/zinc/64/92/54/889649254.db2.gz HCIYTAXPMUFRSE-MDZLAQPJSA-N 2 0 253.346 -0.377 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)NCCC[C@@H]2CCC[NH2+]2)C1=O ZINC001341688791 889649586 /nfs/dbraw/zinc/64/95/86/889649586.db2.gz LRVFJFIIORDGOZ-QWHCGFSZSA-N 2 0 296.415 -0.168 20 0 CBADRP [NH3+]CC1(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC(O)C1 ZINC001341687091 889649990 /nfs/dbraw/zinc/64/99/90/889649990.db2.gz POXAEKKWFSGJLY-YLXHPXFOSA-N 2 0 253.346 -0.703 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C2(C[NH3+])CC(O)C2)CC[N@@H+]1C ZINC001341701018 889651566 /nfs/dbraw/zinc/65/15/66/889651566.db2.gz MMKRRDAFOGHCOB-KIENENRBSA-N 2 0 255.362 -0.315 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C2(C[NH3+])CC(O)C2)CC[N@@H+]1C ZINC001341701020 889651908 /nfs/dbraw/zinc/65/19/08/889651908.db2.gz MMKRRDAFOGHCOB-QKIYJJFGSA-N 2 0 255.362 -0.315 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001341707098 889652580 /nfs/dbraw/zinc/65/25/80/889652580.db2.gz DYOVQZLCYUOYJL-SNVBAGLBSA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C2(C[NH3+])CC(O)C2)CC[N@@H+]1C ZINC001341701017 889652616 /nfs/dbraw/zinc/65/26/16/889652616.db2.gz MMKRRDAFOGHCOB-IXYVEGFRSA-N 2 0 255.362 -0.315 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001341747097 889656947 /nfs/dbraw/zinc/65/69/47/889656947.db2.gz DSTJJICIYSTAMS-AAEUAGOBSA-N 2 0 257.378 -0.101 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001341777543 889659888 /nfs/dbraw/zinc/65/98/88/889659888.db2.gz JPEUBCZEJIQZDT-GMTAPVOTSA-N 2 0 269.345 -0.523 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001341777544 889660611 /nfs/dbraw/zinc/66/06/11/889660611.db2.gz JPEUBCZEJIQZDT-HBNTYKKESA-N 2 0 269.345 -0.523 20 0 CBADRP [NH3+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001341785380 889662702 /nfs/dbraw/zinc/66/27/02/889662702.db2.gz BSDAVAHIBGAVGR-STQMWFEESA-N 2 0 296.415 -0.086 20 0 CBADRP [NH3+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001341785377 889662862 /nfs/dbraw/zinc/66/28/62/889662862.db2.gz BSDAVAHIBGAVGR-CHWSQXEVSA-N 2 0 296.415 -0.086 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C[C@@H](O)C[NH2+]1 ZINC001341789576 889663146 /nfs/dbraw/zinc/66/31/46/889663146.db2.gz ZTGPKBCTETZARV-HKUMRIAESA-N 2 0 269.389 -0.019 20 0 CBADRP CC1(C)CN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC[NH2+]1 ZINC001341794648 889663802 /nfs/dbraw/zinc/66/38/02/889663802.db2.gz FSWDPSOTGXCPSQ-CYBMUJFWSA-N 2 0 255.362 -0.299 20 0 CBADRP [NH3+][C@@H]1C[C@H](C(=O)NC[C@@H]2C[NH2+]CCCO2)[C@H]2C[C@H]21 ZINC001341797006 889665445 /nfs/dbraw/zinc/66/54/45/889665445.db2.gz MJNKRKCNNSNKGG-HHHUOAJASA-N 2 0 253.346 -0.536 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001341798283 889666723 /nfs/dbraw/zinc/66/67/23/889666723.db2.gz OLVJLBOODDDNPW-SDDRHHMPSA-N 2 0 255.362 -0.456 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001341839839 889671494 /nfs/dbraw/zinc/67/14/94/889671494.db2.gz TYHKUPNEBIKDJS-MNOVXSKESA-N 2 0 255.362 -0.062 20 0 CBADRP CN(CC[NH3+])C(=O)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC001341846496 889673944 /nfs/dbraw/zinc/67/39/44/889673944.db2.gz VYNDGSKKRIUGDJ-IJLUTSLNSA-N 2 0 255.362 -0.049 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001341848611 889674492 /nfs/dbraw/zinc/67/44/92/889674492.db2.gz RHKTTWAGLLWLSQ-NWDGAFQWSA-N 2 0 255.362 -0.036 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC001341858451 889675770 /nfs/dbraw/zinc/67/57/70/889675770.db2.gz MAJGDQLUSBCVIX-CYBMUJFWSA-N 2 0 267.373 -0.027 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCN2C)CC[C@@H]1C[NH3+] ZINC001341878777 889678526 /nfs/dbraw/zinc/67/85/26/889678526.db2.gz QOVUTPXKDXHXSF-UTUOFQBUSA-N 2 0 254.378 -0.667 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001341940484 889687102 /nfs/dbraw/zinc/68/71/02/889687102.db2.gz KDLKGHGLGJHMFG-QJPTWQEYSA-N 2 0 256.394 -0.280 20 0 CBADRP Cc1c(C(=O)NOC[C@@H](C)[NH3+])nnn1C1CC[NH2+]CC1 ZINC001341964841 889688672 /nfs/dbraw/zinc/68/86/72/889688672.db2.gz ATKKSUBMIALRIK-MRVPVSSYSA-N 2 0 282.348 -0.480 20 0 CBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001341977748 889691072 /nfs/dbraw/zinc/69/10/72/889691072.db2.gz MXBYJKFKEYECFW-YMXQYDPSSA-N 2 0 253.346 -0.264 20 0 CBADRP C[C@]1(C(=O)N2CCC3(CC[NH2+]3)CC2)C[C@@H](O)C[NH2+]1 ZINC001341975952 889691593 /nfs/dbraw/zinc/69/15/93/889691593.db2.gz RPKBQIBAKDMDIE-ZYHUDNBSSA-N 2 0 253.346 -0.546 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001341971367 889692717 /nfs/dbraw/zinc/69/27/17/889692717.db2.gz YBKBBAXAAPVOJR-OCCSQVGLSA-N 2 0 266.389 -0.365 20 0 CBADRP C[C@H]1CC2(CN1C(=O)CNCC[NH3+])CC[NH2+]CC2 ZINC001341988040 889694435 /nfs/dbraw/zinc/69/44/35/889694435.db2.gz DPVVLRFBTDLOSO-NSHDSACASA-N 2 0 254.378 -0.475 20 0 CBADRP [NH3+]CC1(C(=O)NCCC2CC[NH2+]CC2)CC(O)C1 ZINC001342070409 889705362 /nfs/dbraw/zinc/70/53/62/889705362.db2.gz PZJKYORRKUXHOU-UHFFFAOYSA-N 2 0 255.362 -0.408 20 0 CBADRP [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)[C@@H]1C[NH2+]CCO1 ZINC001342084684 889709189 /nfs/dbraw/zinc/70/91/89/889709189.db2.gz DGZHLLZZFWEQMB-NTZNESFSSA-N 2 0 253.346 -0.295 20 0 CBADRP C[C@@]1(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CCC[NH2+]C1 ZINC001342125551 889715613 /nfs/dbraw/zinc/71/56/13/889715613.db2.gz KZNYASCWGAKELG-CMPLNLGQSA-N 2 0 253.346 -0.377 20 0 CBADRP CN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CCC[NH+](C)C ZINC001448772268 913374065 /nfs/dbraw/zinc/37/40/65/913374065.db2.gz WWTIIMFQAPWLTG-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC1([NH3+])CCCC1 ZINC001342128270 889716779 /nfs/dbraw/zinc/71/67/79/889716779.db2.gz ZQONAXFCUIWRNF-RYUDHWBXSA-N 2 0 266.389 -0.238 20 0 CBADRP C[NH2+][C@@H](C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cnn(C)c1 ZINC001342128895 889717971 /nfs/dbraw/zinc/71/79/71/889717971.db2.gz JFYKJNLTRJQUON-KXNHARMFSA-N 2 0 263.345 -0.643 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@]3(C)C[C@@H](O)C[NH2+]3)[C@@H]2C1 ZINC001342147302 889720031 /nfs/dbraw/zinc/72/00/31/889720031.db2.gz KLPSHCPAYNFIQU-HXNLIRTISA-N 2 0 267.373 -0.444 20 0 CBADRP CN(CC(=O)NC[C@@H](O)C[NH3+])Cc1ccccc1 ZINC001342146098 889720690 /nfs/dbraw/zinc/72/06/90/889720690.db2.gz DYNOGPATGYHOBB-LBPRGKRZSA-N 2 0 251.330 -0.446 20 0 CBADRP CN1CCN(C)CCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC001342157824 889724206 /nfs/dbraw/zinc/72/42/06/889724206.db2.gz YDUMCCPYXOVPFC-CYBMUJFWSA-N 2 0 268.405 -0.180 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001342188719 889729561 /nfs/dbraw/zinc/72/95/61/889729561.db2.gz OMSPJCQLMSHVRY-LOWVWBTDSA-N 2 0 253.346 -0.234 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001342187815 889730845 /nfs/dbraw/zinc/73/08/45/889730845.db2.gz OWYBQXYWXLAAJY-HMUNZLOLSA-N 2 0 253.346 -0.238 20 0 CBADRP O=C(N[C@H]1COC2(C[NH2+]C2)C1)[C@@H]1[NH2+]CC12CCCC2 ZINC001342214880 889731878 /nfs/dbraw/zinc/73/18/78/889731878.db2.gz HTBLTTVCHDLPFG-MNOVXSKESA-N 2 0 265.357 -0.234 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001342216424 889733784 /nfs/dbraw/zinc/73/37/84/889733784.db2.gz WRXASCNLGAEHPG-UKKRHICBSA-N 2 0 251.330 -0.626 20 0 CBADRP O=C(N1CCC[C@@H]([NH2+]CCO)C1)C12CCC(CC1)[NH2+]2 ZINC001342248954 889738368 /nfs/dbraw/zinc/73/83/68/889738368.db2.gz JOCZTMNKRIGFHO-MBHSVXNSSA-N 2 0 267.373 -0.156 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001342251515 889738619 /nfs/dbraw/zinc/73/86/19/889738619.db2.gz SGWRVCQNYKJODN-UPJWGTAASA-N 2 0 268.405 -0.136 20 0 CBADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001342265177 889740824 /nfs/dbraw/zinc/74/08/24/889740824.db2.gz JEIOFYLIPMSLMJ-QCNOEVLYSA-N 2 0 255.362 -0.267 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC001342265446 889741293 /nfs/dbraw/zinc/74/12/93/889741293.db2.gz AGONCEINBUOAHL-UTUOFQBUSA-N 2 0 257.378 -0.067 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CCOCC1 ZINC001342255452 889742025 /nfs/dbraw/zinc/74/20/25/889742025.db2.gz HXZDKWAZQBDOMK-GARJFASQSA-N 2 0 255.362 -0.003 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC001342256581 889742268 /nfs/dbraw/zinc/74/22/68/889742268.db2.gz SGHCQNQZFDPKMG-NEPJUHHUSA-N 2 0 251.330 -0.275 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]([NH3+])c1ccccc1 ZINC001342256587 889742367 /nfs/dbraw/zinc/74/23/67/889742367.db2.gz SGHCQNQZFDPKMG-NWDGAFQWSA-N 2 0 251.330 -0.275 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001342302180 889748989 /nfs/dbraw/zinc/74/89/89/889748989.db2.gz QEGZSDPWGNVRBX-NEPJUHHUSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[C@@H](C(=O)N1NC(=O)C[C@]12CC[NH2+]C2)[NH+](C)C ZINC001342301908 889749083 /nfs/dbraw/zinc/74/90/83/889749083.db2.gz PXBNYNIRBODMAW-CABZTGNLSA-N 2 0 254.334 -0.678 20 0 CBADRP CC[C@@H](C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2)[NH+](C)C ZINC001342301909 889749257 /nfs/dbraw/zinc/74/92/57/889749257.db2.gz PXBNYNIRBODMAW-JOYOIKCWSA-N 2 0 254.334 -0.678 20 0 CBADRP C[C@@H](NC(=O)[C@H]1CCCN(CC[NH3+])C1=O)C1CC[NH2+]CC1 ZINC001342306752 889749533 /nfs/dbraw/zinc/74/95/33/889749533.db2.gz KYZIRKSAJHAGBM-DGCLKSJQSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)C[C@]2(O)CCC[NH2+]C2)C[NH2+]1 ZINC001342319512 889752999 /nfs/dbraw/zinc/75/29/99/889752999.db2.gz AVOPDQDHGHYIDV-NQBHXWOUSA-N 2 0 255.362 -0.252 20 0 CBADRP C[C@@H]1C[C@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)CC[NH2+]1 ZINC001342332867 889755180 /nfs/dbraw/zinc/75/51/80/889755180.db2.gz NHUAKDWTTARSRK-UPJWGTAASA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1[NH2+]CC12CCCC2 ZINC001342351125 889757779 /nfs/dbraw/zinc/75/77/79/889757779.db2.gz WMUSFOYWTVZCBL-QWRGUYRKSA-N 2 0 255.362 -0.443 20 0 CBADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[NH2+]C[C@H]1CO ZINC001342437116 889775415 /nfs/dbraw/zinc/77/54/15/889775415.db2.gz COLOOQYNGKCDKG-WDEREUQCSA-N 2 0 257.378 -0.197 20 0 CBADRP CC[NH+](CC)CCSCC(=O)N1CC[NH2+]C[C@@H]1CO ZINC001342439622 889775558 /nfs/dbraw/zinc/77/55/58/889775558.db2.gz MAHHXWSENJBXAS-GFCCVEGCSA-N 2 0 289.445 -0.146 20 0 CBADRP C[NH2+]CCCCC(=O)NCCN1CCC([NH3+])CC1 ZINC001342549563 889793634 /nfs/dbraw/zinc/79/36/34/889793634.db2.gz UOVDISXVVQFYRH-UHFFFAOYSA-N 2 0 256.394 -0.085 20 0 CBADRP CC1(C)CN(C(=O)COC2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001342572622 889796383 /nfs/dbraw/zinc/79/63/83/889796383.db2.gz LQJVRTJWBSZPBL-NSHDSACASA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)[C@H]1C[NH2+]CCN1C ZINC001342628245 889803874 /nfs/dbraw/zinc/80/38/74/889803874.db2.gz GJTWACTXYVLMOQ-FIQHERPVSA-N 2 0 254.378 -0.513 20 0 CBADRP COC[C@@]1(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC[NH2+]C1 ZINC001342663060 889813624 /nfs/dbraw/zinc/81/36/24/889813624.db2.gz BITNYMJHRVGQLA-NQBHXWOUSA-N 2 0 255.362 -0.334 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001342696032 889818165 /nfs/dbraw/zinc/81/81/65/889818165.db2.gz LFZABOOUMGOPJR-YNEHKIRRSA-N 2 0 269.389 -0.101 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001342736419 889824194 /nfs/dbraw/zinc/82/41/94/889824194.db2.gz GFCAWYCNSCQVDE-GFCCVEGCSA-N 2 0 269.389 -0.112 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)C[C@H]1C[NH3+] ZINC001342757209 889823871 /nfs/dbraw/zinc/82/38/71/889823871.db2.gz KJWWZLDWRNGWBQ-YVECIDJPSA-N 2 0 266.389 -0.572 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1(F)F ZINC001342757584 889825107 /nfs/dbraw/zinc/82/51/07/889825107.db2.gz OTIIYOGVYDLZFX-SGIHWFKDSA-N 2 0 259.300 -0.106 20 0 CBADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnnn1C ZINC001342790941 889829387 /nfs/dbraw/zinc/82/93/87/889829387.db2.gz CCPMDQUTNJNJIO-LBPRGKRZSA-N 2 0 266.393 -0.069 20 0 CBADRP CN(C(=O)C[C@]1(O)CCC[NH2+]C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001342791960 889830273 /nfs/dbraw/zinc/83/02/73/889830273.db2.gz OTLIWHRZAAMQJZ-RSLMWUCJSA-N 2 0 253.346 -0.833 20 0 CBADRP CN(C(=O)[C@]12C[NH2+]C[C@H]1CCOC2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001342792571 889830306 /nfs/dbraw/zinc/83/03/06/889830306.db2.gz WLLASECDVHPBNE-JLDUMIBSSA-N 2 0 265.357 -0.711 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001342817201 889832672 /nfs/dbraw/zinc/83/26/72/889832672.db2.gz USNRWVSBTDQOGB-NWBUJAPZSA-N 2 0 269.389 -0.341 20 0 CBADRP [NH3+][C@H]1C[C@@H](NC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)C1 ZINC001342844994 889836272 /nfs/dbraw/zinc/83/62/72/889836272.db2.gz ZDEVBSLADMSDGH-VDDIYKPWSA-N 2 0 252.318 -0.509 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC001342853700 889836540 /nfs/dbraw/zinc/83/65/40/889836540.db2.gz WNPHQCXFYHKRQK-MBNYWOFBSA-N 2 0 268.405 -0.005 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1CCOC ZINC001342992071 889852679 /nfs/dbraw/zinc/85/26/79/889852679.db2.gz FWAGZOLPWLYSAU-MNOVXSKESA-N 2 0 259.350 -0.813 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001343052886 889862779 /nfs/dbraw/zinc/86/27/79/889862779.db2.gz GLFKXANCOBJEKO-UTUOFQBUSA-N 2 0 255.362 -0.179 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001343235584 889879893 /nfs/dbraw/zinc/87/98/93/889879893.db2.gz UZLUFNZPMCRGJV-GVXVVHGQSA-N 2 0 253.346 -0.377 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)NCC[NH+]2CCCCC2)C1=O ZINC001343356816 889893370 /nfs/dbraw/zinc/89/33/70/889893370.db2.gz UVOOEMRQFWHTTO-CYBMUJFWSA-N 2 0 296.415 -0.214 20 0 CBADRP CC1CC[NH+](CCCCNC(=O)[C@H]([NH3+])CO)CC1 ZINC001343380010 889895501 /nfs/dbraw/zinc/89/55/01/889895501.db2.gz YZHIQQUMNDRXSD-GFCCVEGCSA-N 2 0 257.378 -0.066 20 0 CBADRP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)O)C1 ZINC001343407722 889902871 /nfs/dbraw/zinc/90/28/71/889902871.db2.gz KCECTJNMBDRMSG-WDEREUQCSA-N 2 0 257.378 -0.067 20 0 CBADRP C[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1)[N@H+](C)C1CC1 ZINC001343419213 889903908 /nfs/dbraw/zinc/90/39/08/889903908.db2.gz CJYBCJZWFHCOCE-CDMKHQONSA-N 2 0 255.362 -0.302 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001343466519 889916753 /nfs/dbraw/zinc/91/67/53/889916753.db2.gz HEITXHQCKPQNKB-MDZLAQPJSA-N 2 0 255.362 -0.585 20 0 CBADRP C[NH+](C)CCNC(=O)C1CC2(C1)C[C@@H]([NH3+])CCO2 ZINC001343486246 889919186 /nfs/dbraw/zinc/91/91/86/889919186.db2.gz KCKXCKCBEBSOQP-AKJDGMEZSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001343504122 889925492 /nfs/dbraw/zinc/92/54/92/889925492.db2.gz FAOZELNCGBOPPL-NEPJUHHUSA-N 2 0 254.378 -0.617 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC001343507264 889925624 /nfs/dbraw/zinc/92/56/24/889925624.db2.gz ILQGYXAVIFFLDX-QWRGUYRKSA-N 2 0 252.362 -0.852 20 0 CBADRP [NH3+][C@H]1CCCn2nc(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc21 ZINC001343505879 889925749 /nfs/dbraw/zinc/92/57/49/889925749.db2.gz BKQSXLVETZCNBX-KIKITERTSA-N 2 0 261.329 -0.376 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001343504146 889926772 /nfs/dbraw/zinc/92/67/72/889926772.db2.gz FAOZELNCGBOPPL-VXGBXAGGSA-N 2 0 254.378 -0.617 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC001343528207 889928157 /nfs/dbraw/zinc/92/81/57/889928157.db2.gz YVUXOJKCWMQITQ-KXNHARMFSA-N 2 0 255.362 -0.587 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC001343528209 889929676 /nfs/dbraw/zinc/92/96/76/889929676.db2.gz YVUXOJKCWMQITQ-NNYUYHANSA-N 2 0 255.362 -0.587 20 0 CBADRP C[C@H](NC(=O)CC1(C[NH3+])CC1)[C@H]1C[N@H+](C)CCN1C ZINC001343582124 889934177 /nfs/dbraw/zinc/93/41/77/889934177.db2.gz ISRQLIKHBSDCGQ-NWDGAFQWSA-N 2 0 268.405 -0.134 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001343591019 889938927 /nfs/dbraw/zinc/93/89/27/889938927.db2.gz AWBGNSAFTQHRFC-MROQNXINSA-N 2 0 268.405 -0.278 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3=NO[C@@H](C[NH3+])C3)[C@H]2C1 ZINC001343592897 889939152 /nfs/dbraw/zinc/93/91/52/889939152.db2.gz SLLCZEZBCXYUSF-VLEAKVRGSA-N 2 0 266.345 -0.454 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001343620510 889942296 /nfs/dbraw/zinc/94/22/96/889942296.db2.gz DHKBFHHFRIBOSR-ZDUSSCGKSA-N 2 0 296.415 -0.264 20 0 CBADRP CC(C)(CC[NH3+])NC(=O)C[NH+]1CCC(CO)CC1 ZINC001343702373 889953265 /nfs/dbraw/zinc/95/32/65/889953265.db2.gz XNRHMTOHMNTWPI-UHFFFAOYSA-N 2 0 257.378 -0.066 20 0 CBADRP COC[C@]1(C(=O)NCCC[NH2+]C2CC2)CC[NH2+]C1 ZINC001343738954 889959350 /nfs/dbraw/zinc/95/93/50/889959350.db2.gz MAVRSEUWBLCRNH-ZDUSSCGKSA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2COC3(C[NH2+]C3)C2)C1 ZINC001344010949 889989573 /nfs/dbraw/zinc/98/95/73/889989573.db2.gz HHUQSMMUHORRNV-MXWKQRLJSA-N 2 0 253.346 -0.378 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001344012003 889990005 /nfs/dbraw/zinc/99/00/05/889990005.db2.gz SLSLYKSCFUECQJ-GKBWCTFZSA-N 2 0 265.357 -0.355 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001344434822 890026953 /nfs/dbraw/zinc/02/69/53/890026953.db2.gz DWRCTMQJPGBPMQ-KWBADKCTSA-N 2 0 266.345 -0.630 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(C)C[C@H](O)C[NH2+]3)CC[C@H]21 ZINC001344460024 890030174 /nfs/dbraw/zinc/03/01/74/890030174.db2.gz BVKITMCTXIXWDR-CZXHOFHRSA-N 2 0 267.373 -0.348 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(C)C[C@H](O)C[NH2+]3)CC[C@@H]21 ZINC001344460029 890029927 /nfs/dbraw/zinc/02/99/27/890029927.db2.gz BVKITMCTXIXWDR-UHXUPSOCSA-N 2 0 267.373 -0.348 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001344644402 890053436 /nfs/dbraw/zinc/05/34/36/890053436.db2.gz YBIADDPUQCMBGE-UZWSLXQKSA-N 2 0 255.362 -0.539 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCCC[C@H]1C[NH2+]C ZINC001344734218 890057547 /nfs/dbraw/zinc/05/75/47/890057547.db2.gz ZTQQTYOYRZWAMJ-SDDRHHMPSA-N 2 0 257.378 -0.197 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCCC[C@H]1C[NH2+]C ZINC001344734223 890059446 /nfs/dbraw/zinc/05/94/46/890059446.db2.gz ZTQQTYOYRZWAMJ-WOPDTQHZSA-N 2 0 257.378 -0.197 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001344830683 890069785 /nfs/dbraw/zinc/06/97/85/890069785.db2.gz NQUIGBYCEUHUNT-UHFFFAOYSA-N 2 0 270.377 -0.783 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)N1NC(=O)CC12CC[NH2+]CC2 ZINC001344860338 890076679 /nfs/dbraw/zinc/07/66/79/890076679.db2.gz CQLSYCHBAXREHV-JTQLQIEISA-N 2 0 266.345 -0.630 20 0 CBADRP C[C@@H]1[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)CC[N@@H+]1C ZINC001344876739 890078287 /nfs/dbraw/zinc/07/82/87/890078287.db2.gz JMYHKLDHDBHZRJ-PSASIEDQSA-N 2 0 263.345 -0.122 20 0 CBADRP O=C(CC[NH2+]C1CC1)N1NC(=O)CC12CC[NH2+]CC2 ZINC001344861121 890078963 /nfs/dbraw/zinc/07/89/63/890078963.db2.gz NPQRETVYEPMHBG-UHFFFAOYSA-N 2 0 266.345 -0.486 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC(C)(C)[NH+](C)C ZINC001345527878 890138332 /nfs/dbraw/zinc/13/83/32/890138332.db2.gz XRSSYLDUDANKFU-RYUDHWBXSA-N 2 0 268.405 -0.169 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[NH2+]C1 ZINC001345500470 890137534 /nfs/dbraw/zinc/13/75/34/890137534.db2.gz FXWPAVRCKKDDFJ-SBFPOUOMSA-N 2 0 253.346 -0.378 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1=O ZINC001345499491 890138343 /nfs/dbraw/zinc/13/83/43/890138343.db2.gz BFRVWOZDDDLTSU-NOOOWODRSA-N 2 0 280.372 -0.807 20 0 CBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1[nH]nc2c1C[NH2+]CC2 ZINC001345502918 890138548 /nfs/dbraw/zinc/13/85/48/890138548.db2.gz ZIRTWDDJJCVJQH-WHGOUJPWSA-N 2 0 261.329 -0.322 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@H]1CC12CC[NH2+]CC2 ZINC001345597716 890144849 /nfs/dbraw/zinc/14/48/49/890144849.db2.gz SUWKRUGYTYYARL-MNOVXSKESA-N 2 0 253.346 -0.377 20 0 CBADRP Cc1n[nH]cc1CCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001345619382 890144947 /nfs/dbraw/zinc/14/49/47/890144947.db2.gz RKTPBFPJGLCGCN-HNNXBMFYSA-N 2 0 295.431 -0.151 20 0 CBADRP COCCCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001345605468 890145960 /nfs/dbraw/zinc/14/59/60/890145960.db2.gz JIIFDDSFAVNTNN-ZDUSSCGKSA-N 2 0 259.394 -0.389 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001345715922 890153886 /nfs/dbraw/zinc/15/38/86/890153886.db2.gz PJCXBZGWDCJICU-LOWVWBTDSA-N 2 0 252.362 -0.852 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CCO1 ZINC001345826872 890169376 /nfs/dbraw/zinc/16/93/76/890169376.db2.gz XEIRUJYCBWXAIA-MNOVXSKESA-N 2 0 253.346 -0.438 20 0 CBADRP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC001345812670 890169533 /nfs/dbraw/zinc/16/95/33/890169533.db2.gz PBGAFXDEDLFBSN-NSHDSACASA-N 2 0 268.361 -0.935 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](C[NH3+])C2)C1 ZINC001345943596 890183414 /nfs/dbraw/zinc/18/34/14/890183414.db2.gz KPUJXDDDKPTJPX-CHWSQXEVSA-N 3 0 268.405 -0.146 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCCCCO)CC1 ZINC001345944621 890183465 /nfs/dbraw/zinc/18/34/65/890183465.db2.gz STXLMQGKAFLABY-AWEZNQCLSA-N 2 0 273.421 -0.263 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001346001169 890194390 /nfs/dbraw/zinc/19/43/90/890194390.db2.gz GCSXWNZPVMEFKC-SECBINFHSA-N 2 0 266.349 -0.378 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(Cc2nc(C(C)(C)[NH3+])no2)CCO1 ZINC001346017003 890194454 /nfs/dbraw/zinc/19/44/54/890194454.db2.gz HTIMJGYETFDOMN-RKDXNWHRSA-N 2 0 269.349 -0.189 20 0 CBADRP C[NH2+][C@@H](C(=O)N1CCC(C[NH3+])CC1)c1cnn(C)c1 ZINC001346003202 890195781 /nfs/dbraw/zinc/19/57/81/890195781.db2.gz WFZUREXDMXDFJX-GFCCVEGCSA-N 2 0 265.361 -0.122 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CC23CCOCC3)CC[C@H]1[NH3+] ZINC001346047404 890204829 /nfs/dbraw/zinc/20/48/29/890204829.db2.gz FFVALDYNKARQOB-IJLUTSLNSA-N 2 0 267.373 -0.049 20 0 CBADRP C[N@@H+]1CCCN(CCC[NH2+]C[C@@H](O)C2(O)CCC2)CC1 ZINC001346202925 890238496 /nfs/dbraw/zinc/23/84/96/890238496.db2.gz CWVVFOSMXMUGCL-CQSZACIVSA-N 2 0 285.432 -0.121 20 0 CBADRP C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)[C@H]1C[N@H+](C)CCN1C ZINC001346228502 890242865 /nfs/dbraw/zinc/24/28/65/890242865.db2.gz KCGQSCPQNMIFFW-CYZMBNFOSA-N 2 0 268.405 -0.136 20 0 CBADRP C[C@H](NC(=O)C12CC(C1)C[NH2+]2)[C@@H]1C[N@H+](C)CCN1C ZINC001346229677 890247134 /nfs/dbraw/zinc/24/71/34/890247134.db2.gz WFXIZHMNSNQWAX-ATWGWHJKSA-N 2 0 266.389 -0.511 20 0 CBADRP C[C@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC001346464848 890297653 /nfs/dbraw/zinc/29/76/53/890297653.db2.gz XZFDHDHGEUREJO-UONOGXRCSA-N 2 0 297.447 -0.092 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)N1CCC[C@@]12CC[NH2+]C2 ZINC001346461787 890298393 /nfs/dbraw/zinc/29/83/93/890298393.db2.gz DLSIMPVHPFIEFF-HNNXBMFYSA-N 2 0 295.431 -0.181 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)NC/C=C/C[NH3+] ZINC001346491644 890305785 /nfs/dbraw/zinc/30/57/85/890305785.db2.gz WVFVHBPVIXOOEI-KXMPLOMGSA-N 2 0 256.350 -0.479 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCNCC[NH2+]CC1 ZINC001346501424 890309224 /nfs/dbraw/zinc/30/92/24/890309224.db2.gz OAPGCZNFMWKGKB-QWRGUYRKSA-N 2 0 257.382 -0.683 20 0 CBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001346686530 890340307 /nfs/dbraw/zinc/34/03/07/890340307.db2.gz SWGLOQNZBKIYHO-ZIQFBCGOSA-N 2 0 250.346 -0.117 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(C(=O)c2cn(CC[NH3+])nn2)C1 ZINC001347147660 890416123 /nfs/dbraw/zinc/41/61/23/890416123.db2.gz HPMUVZIVUYJZML-JTQLQIEISA-N 2 0 266.349 -0.562 20 0 CBADRP [NH3+]CCC1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001347157738 890419453 /nfs/dbraw/zinc/41/94/53/890419453.db2.gz ROKZUVYDDCSVSM-NWDGAFQWSA-N 2 0 255.362 -0.062 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2CC3CC2(C[NH3+])C3)nn1 ZINC001347157950 890422145 /nfs/dbraw/zinc/42/21/45/890422145.db2.gz ZEUUQJVYDMMXKV-UHFFFAOYSA-N 2 0 278.360 -0.420 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC001348307614 890589771 /nfs/dbraw/zinc/58/97/71/890589771.db2.gz KBJDOBDZUSDEST-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H](F)CC[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001448949196 913467440 /nfs/dbraw/zinc/46/74/40/913467440.db2.gz DTPORZDNUMILSX-VXGBXAGGSA-N 2 0 275.368 -0.103 20 0 CBADRP O=C(NC[C@H](CO)[NH2+]C/C=C\Cl)C12CC[NH+](CC1)C2 ZINC001448951963 913471006 /nfs/dbraw/zinc/47/10/06/913471006.db2.gz WVBUPACIGJBHEH-PNDGHQIGSA-N 2 0 287.791 -0.099 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)c1 ZINC001448950716 913471124 /nfs/dbraw/zinc/47/11/24/913471124.db2.gz KNOKRBDMDVFFBG-ZDUSSCGKSA-N 2 0 297.403 -0.673 20 0 CBADRP O=C(NC[C@@H](CO)[NH2+]C/C=C\Cl)C12CC[NH+](CC1)C2 ZINC001448951967 913472090 /nfs/dbraw/zinc/47/20/90/913472090.db2.gz WVBUPACIGJBHEH-WYEHYUNLSA-N 2 0 287.791 -0.099 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH+]1CC=CC1 ZINC001349075562 890756447 /nfs/dbraw/zinc/75/64/47/890756447.db2.gz XDGTUNIKBCJPDG-QWHCGFSZSA-N 2 0 264.373 -0.637 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C2CC[NH2+]CC2)C1 ZINC001349098760 890759247 /nfs/dbraw/zinc/75/92/47/890759247.db2.gz JKMNVZCYOKPNLK-ZDUSSCGKSA-N 2 0 296.415 -0.310 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCNC(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001349109075 890762159 /nfs/dbraw/zinc/76/21/59/890762159.db2.gz HQDDJQGBCKKPRT-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)c1cn(CCC[NH3+])nn1 ZINC001349153160 890768150 /nfs/dbraw/zinc/76/81/50/890768150.db2.gz NEYUSHULKLZWGR-VIFPVBQESA-N 2 0 254.338 -0.788 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cn(CCCC[NH3+])nn1 ZINC001349214926 890777917 /nfs/dbraw/zinc/77/79/17/890777917.db2.gz KYTNAFPTCAEUHU-QWRGUYRKSA-N 2 0 298.366 -0.211 20 0 CBADRP C/C(=C/C(=O)NC[C@@H]1CC[N@H+]1C)C(=O)NC[C@@H]1CC[NH+]1C ZINC001349300606 890790886 /nfs/dbraw/zinc/79/08/86/890790886.db2.gz SFUHHJILIQHDMH-WDSMJVJCSA-N 2 0 294.399 -0.427 20 0 CBADRP NC(=O)Cn1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)nn1 ZINC001349325872 890797368 /nfs/dbraw/zinc/79/73/68/890797368.db2.gz RYUGREUZFPKVOO-JTQLQIEISA-N 2 0 266.349 -0.676 20 0 CBADRP C[NH2+]C[C@H]1CCN(C(=O)[C@H]([NH2+]C)c2cnn(C)c2)C1 ZINC001349372514 890802243 /nfs/dbraw/zinc/80/22/43/890802243.db2.gz NUQBTIGGEVXWMV-ZYHUDNBSSA-N 2 0 265.361 -0.252 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC001349374203 890803629 /nfs/dbraw/zinc/80/36/29/890803629.db2.gz UXNBXOAARDOFML-NXEZZACHSA-N 2 0 264.333 -0.624 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](CCN3CC[NH2+]CC3)C2)nn1 ZINC001349399016 890804946 /nfs/dbraw/zinc/80/49/46/890804946.db2.gz VDXBCQGWBRCDJK-AWEZNQCLSA-N 3 0 293.419 -0.721 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCC(=O)N1CC[NH2+]CC1 ZINC001349399160 890805082 /nfs/dbraw/zinc/80/50/82/890805082.db2.gz YIGPBNPFQQDPHJ-NQBHXWOUSA-N 2 0 254.378 -0.606 20 0 CBADRP [NH3+]Cc1cc(C(=O)NC[C@@H]2C[NH2+]CCCO2)ccn1 ZINC001349403552 890808604 /nfs/dbraw/zinc/80/86/04/890808604.db2.gz LVMRIHPRDUWNTQ-LBPRGKRZSA-N 2 0 264.329 -0.351 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(CC(=O)N2CC[NH2+]CC2)C1 ZINC001349485677 890825092 /nfs/dbraw/zinc/82/50/92/890825092.db2.gz BOLHQEQSZUFOIV-CYBMUJFWSA-N 2 0 268.405 -0.308 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC001349585909 890841005 /nfs/dbraw/zinc/84/10/05/890841005.db2.gz QZRDASUBQCRGTA-CYBMUJFWSA-N 2 0 255.362 -0.048 20 0 CBADRP NS(=O)(=O)CCC[NH+]1CCC(OCCC[NH3+])CC1 ZINC001349787478 890888437 /nfs/dbraw/zinc/88/84/37/890888437.db2.gz KGQRRFQHPDAULN-UHFFFAOYSA-N 2 0 279.406 -0.505 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001349816497 890898467 /nfs/dbraw/zinc/89/84/67/890898467.db2.gz OQAXEGPRDNEQLH-SNVBAGLBSA-N 2 0 253.346 -0.567 20 0 CBADRP CN(CCC[NH3+])Cc1cn(C2CC[NH2+]CC2)nn1 ZINC001349923487 890911972 /nfs/dbraw/zinc/91/19/72/890911972.db2.gz RFSATIKWUBURNH-UHFFFAOYSA-N 2 0 252.366 -0.017 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001349979730 890917264 /nfs/dbraw/zinc/91/72/64/890917264.db2.gz KAOMAJAEBRNSCF-TUAOUCFPSA-N 2 0 284.404 -0.219 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC001349981036 890917862 /nfs/dbraw/zinc/91/78/62/890917862.db2.gz AUTXQUILCPIRPO-HAQNSBGRSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC001349981758 890919057 /nfs/dbraw/zinc/91/90/57/890919057.db2.gz FPWXJYVCOAHVRB-NEPJUHHUSA-N 2 0 296.415 -0.075 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001350058658 890930442 /nfs/dbraw/zinc/93/04/42/890930442.db2.gz QHIFMISDZHQCQN-PHIMTYICSA-N 2 0 282.388 -0.608 20 0 CBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001350058598 890931246 /nfs/dbraw/zinc/93/12/46/890931246.db2.gz PKBCVJATNBMPEW-UPJWGTAASA-N 2 0 296.415 -0.312 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001350215252 890949456 /nfs/dbraw/zinc/94/94/56/890949456.db2.gz RTMDXTNCYALASU-ROHXPCBUSA-N 2 0 250.346 -0.260 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001350224706 890949508 /nfs/dbraw/zinc/94/95/08/890949508.db2.gz XUBVQSXLAKDVDG-FIQHERPVSA-N 2 0 268.361 -0.816 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N1CC[NH2+]CC1 ZINC001350242175 890952658 /nfs/dbraw/zinc/95/26/58/890952658.db2.gz CASJYECRHWAPAN-VIFPVBQESA-N 2 0 262.304 -0.154 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)N1CC[NH2+]CC1 ZINC001350242166 890953662 /nfs/dbraw/zinc/95/36/62/890953662.db2.gz CASJYECRHWAPAN-SECBINFHSA-N 2 0 262.304 -0.154 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCC[NH2+]C2CC2)n1 ZINC001350321147 890961548 /nfs/dbraw/zinc/96/15/48/890961548.db2.gz CJIWPEPIPKZTAF-UHFFFAOYSA-N 2 0 280.332 -0.808 20 0 CBADRP C[NH+]1CCC(O)(CNC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC001350322032 890963099 /nfs/dbraw/zinc/96/30/99/890963099.db2.gz IADNUFUPPMWIOJ-JTQLQIEISA-N 2 0 256.350 -0.896 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)nn1 ZINC001350406076 890979505 /nfs/dbraw/zinc/97/95/05/890979505.db2.gz ZMPBKKNQHLMEPY-SNVBAGLBSA-N 2 0 264.333 -0.891 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001350420358 890983184 /nfs/dbraw/zinc/98/31/84/890983184.db2.gz XMAKQTSCJJHMND-DTWKUNHWSA-N 2 0 251.334 -0.176 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)=NO1 ZINC001351164439 891114153 /nfs/dbraw/zinc/11/41/53/891114153.db2.gz YEVUOGNIBKNGGI-VDDIYKPWSA-N 2 0 252.318 -0.570 20 0 CBADRP CN(CCNC(=O)CCC[NH+](C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001449170163 913527873 /nfs/dbraw/zinc/52/78/73/913527873.db2.gz FCWXAUDTIHYUHI-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP [NH3+][C@H](c1cn(C[C@H]2C[NH2+]CCO2)nn1)[C@H]1CCCO1 ZINC001351755883 891180504 /nfs/dbraw/zinc/18/05/04/891180504.db2.gz KPHXOZZCVXAXRB-YUSALJHKSA-N 2 0 267.333 -0.555 20 0 CBADRP [NH3+]Cc1cc(C(=O)NC[C@@H]2COCC[NH2+]2)ccn1 ZINC001352849256 891308880 /nfs/dbraw/zinc/30/88/80/891308880.db2.gz DGTDMPFSJUMWMI-LLVKDONJSA-N 2 0 250.302 -0.742 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)C[NH+](C)CCO)C1 ZINC001449220913 913546950 /nfs/dbraw/zinc/54/69/50/913546950.db2.gz XXTKKJNBZZRCNK-QWHCGFSZSA-N 2 0 287.404 -0.928 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)C[NH+](C)CCO)C1 ZINC001449220885 913547141 /nfs/dbraw/zinc/54/71/41/913547141.db2.gz XXTKKJNBZZRCNK-CHWSQXEVSA-N 2 0 287.404 -0.928 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H](C[NH3+])C1CC1 ZINC001353005411 891341534 /nfs/dbraw/zinc/34/15/34/891341534.db2.gz RTXNYBHEIFAFBQ-ADEWGFFLSA-N 2 0 252.362 -0.772 20 0 CBADRP CCOC(=O)[C@H]1C[NH2+]CCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC001353034479 891342761 /nfs/dbraw/zinc/34/27/61/891342761.db2.gz IGCQMRPCQNHXCK-GARJFASQSA-N 2 0 259.325 -0.477 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001353049300 891348673 /nfs/dbraw/zinc/34/86/73/891348673.db2.gz UZXVYEPEFOZAEX-VHSXEESVSA-N 2 0 268.361 -0.807 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC001353049457 891348976 /nfs/dbraw/zinc/34/89/76/891348976.db2.gz ZIHDBIPQPYWKEU-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC001353049472 891349896 /nfs/dbraw/zinc/34/98/96/891349896.db2.gz ZQQRGNNTAJIBBI-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[C@@H]([NH3+])C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001353081695 891358407 /nfs/dbraw/zinc/35/84/07/891358407.db2.gz XDMZZJAZRUDNEN-SNVBAGLBSA-N 2 0 264.333 -0.438 20 0 CBADRP CN(C(=O)C[C@@]1(O)CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001353200457 891380435 /nfs/dbraw/zinc/38/04/35/891380435.db2.gz AVRGICULUFJSID-ZDUSSCGKSA-N 2 0 255.362 -0.299 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001353201567 891382756 /nfs/dbraw/zinc/38/27/56/891382756.db2.gz RWIOFVFCAPSKCT-GWCFXTLKSA-N 2 0 268.361 -0.001 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC001353237245 891383887 /nfs/dbraw/zinc/38/38/87/891383887.db2.gz BUQAWPNSXVOXAR-QWRGUYRKSA-N 2 0 282.388 -0.465 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001353237217 891384419 /nfs/dbraw/zinc/38/44/19/891384419.db2.gz BMHOKDLYNZVXCH-OLZOCXBDSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC001353285575 891392261 /nfs/dbraw/zinc/39/22/61/891392261.db2.gz NCWUUVVXZSPGMV-YPMHNXCESA-N 2 0 296.415 -0.217 20 0 CBADRP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001449242365 913553777 /nfs/dbraw/zinc/55/37/77/913553777.db2.gz ZMXAMAVEGMALNN-CHWSQXEVSA-N 2 0 287.404 -0.928 20 0 CBADRP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001449242366 913554068 /nfs/dbraw/zinc/55/40/68/913554068.db2.gz ZMXAMAVEGMALNN-OLZOCXBDSA-N 2 0 287.404 -0.928 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001353324144 891405530 /nfs/dbraw/zinc/40/55/30/891405530.db2.gz QHIFMISDZHQCQN-XYPYZODXSA-N 2 0 282.388 -0.608 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC001353417541 891423513 /nfs/dbraw/zinc/42/35/13/891423513.db2.gz ZSMOJJVRXYWSDJ-NWDGAFQWSA-N 2 0 269.393 -0.682 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NC1(C[NH3+])CCOCC1 ZINC001353455789 891428200 /nfs/dbraw/zinc/42/82/00/891428200.db2.gz HVBFYZXATFSSOV-NXEZZACHSA-N 2 0 256.350 -0.599 20 0 CBADRP [NH3+]C[C@@H]1CCN(C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC001353468529 891430364 /nfs/dbraw/zinc/43/03/64/891430364.db2.gz XFTZGIZTKQSHMI-NSHDSACASA-N 2 0 269.393 -0.600 20 0 CBADRP [NH3+]C[C@H]1CCN(C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC001353468528 891430745 /nfs/dbraw/zinc/43/07/45/891430745.db2.gz XFTZGIZTKQSHMI-LLVKDONJSA-N 2 0 269.393 -0.600 20 0 CBADRP C[C@H]1C[NH+](CCCNC(=O)CNCC[NH3+])C[C@H](C)O1 ZINC001353468952 891431175 /nfs/dbraw/zinc/43/11/75/891431175.db2.gz JPGAORUJDBVBQM-RYUDHWBXSA-N 2 0 272.393 -0.850 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCCCN1CC[NH2+]CC1)C2 ZINC001353489428 891432989 /nfs/dbraw/zinc/43/29/89/891432989.db2.gz PGFNXHGIJYXREZ-DZGCQCFKSA-N 2 0 295.431 -0.467 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)NCC1([NH3+])CC1 ZINC001353501482 891437906 /nfs/dbraw/zinc/43/79/06/891437906.db2.gz IQGSCHFVRDQXRZ-UHFFFAOYSA-N 2 0 258.366 -0.303 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001353535117 891444426 /nfs/dbraw/zinc/44/44/26/891444426.db2.gz OCQHIQPFVBRODG-CQSZACIVSA-N 2 0 298.431 -0.493 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C2(C[NH3+])CC(O)C2)C[N@@H+]1C1CC1 ZINC001353580624 891449794 /nfs/dbraw/zinc/44/97/94/891449794.db2.gz AFUGHWICYIWTAO-QKEORKQXSA-N 2 0 267.373 -0.172 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001353591011 891450196 /nfs/dbraw/zinc/45/01/96/891450196.db2.gz BZPJKAQGEGNZNL-GRYCIOLGSA-N 2 0 252.362 -0.805 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C2(C[NH3+])CC(O)C2)C[N@@H+]1C1CC1 ZINC001353580625 891450771 /nfs/dbraw/zinc/45/07/71/891450771.db2.gz AFUGHWICYIWTAO-XOAXOQPSSA-N 2 0 267.373 -0.172 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001353602932 891452545 /nfs/dbraw/zinc/45/25/45/891452545.db2.gz WVUNFXJEUWPXLG-BYNQJWBRSA-N 2 0 267.373 -0.192 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CCN1C ZINC001353602478 891452793 /nfs/dbraw/zinc/45/27/93/891452793.db2.gz PFMWPNGIJOHGTD-NEPJUHHUSA-N 2 0 254.378 -0.510 20 0 CBADRP C[NH2+]CCCCC(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC001353644433 891455231 /nfs/dbraw/zinc/45/52/31/891455231.db2.gz BVFCPGBXKOZAQA-NSHDSACASA-N 2 0 271.361 -0.260 20 0 CBADRP N[C@H](CC(=O)NC[C@@H]1C[NH2+]CCCO1)C(F)F ZINC001353665669 891458119 /nfs/dbraw/zinc/45/81/19/891458119.db2.gz ISJLBHBGJUMOJH-JGVFFNPUSA-N 2 0 251.277 -0.536 20 0 CBADRP [NH3+]CC[C@H](NC(=O)C[C@@]1(O)CCC[NH2+]C1)C(F)F ZINC001353656224 891459612 /nfs/dbraw/zinc/45/96/12/891459612.db2.gz WOLHWNIIADQOEQ-KWQFWETISA-N 2 0 265.304 -0.410 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@@H]1C[NH2+]CCN1C ZINC001353727710 891467685 /nfs/dbraw/zinc/46/76/85/891467685.db2.gz LKPCOPCQQKNNRI-UPJWGTAASA-N 2 0 268.405 -0.311 20 0 CBADRP [NH3+][C@@H]1C[C@H](C(=O)NCC[N@@H+]2CCCOCC2)[C@H]2C[C@H]21 ZINC001353759313 891470416 /nfs/dbraw/zinc/47/04/16/891470416.db2.gz CFOHGPKPTFKJHA-QNWHQSFQSA-N 2 0 267.373 -0.192 20 0 CBADRP O=C(NCC[C@H]1CSCC[NH2+]1)[C@]1(F)CC[NH2+]C1 ZINC001353948297 891491364 /nfs/dbraw/zinc/49/13/64/891491364.db2.gz FXBBGRLXLGOQMQ-ONGXEEELSA-N 2 0 261.366 -0.101 20 0 CBADRP [NH3+]CC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001353971557 891494059 /nfs/dbraw/zinc/49/40/59/891494059.db2.gz BWXXRZDUFXNTFJ-UHFFFAOYSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)NCCC[NH2+]C2CC2)C1=O ZINC001354131662 891519766 /nfs/dbraw/zinc/51/97/66/891519766.db2.gz MEKJJOYIAMJVCZ-GFCCVEGCSA-N 2 0 282.388 -0.558 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC001354145096 891522840 /nfs/dbraw/zinc/52/28/40/891522840.db2.gz KFOCJJQAVYAMDR-GRYCIOLGSA-N 2 0 269.389 -0.006 20 0 CBADRP [NH3+]C1CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC001354185124 891529468 /nfs/dbraw/zinc/52/94/68/891529468.db2.gz QEFZXZXLRKLXAW-LBPRGKRZSA-N 2 0 258.362 -0.034 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC3(C[NH2+]C3)CC2)C1 ZINC001354201297 891531772 /nfs/dbraw/zinc/53/17/72/891531772.db2.gz INJBWVQLHPVQPF-AAEUAGOBSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC2(C[NH2+]C2)CC1 ZINC001354202318 891532071 /nfs/dbraw/zinc/53/20/71/891532071.db2.gz WITLEELUNYGLCM-UHFFFAOYSA-N 2 0 252.362 -0.896 20 0 CBADRP CS(=O)(=O)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC001354238550 891544395 /nfs/dbraw/zinc/54/43/95/891544395.db2.gz XGDWYKJHRHPZDQ-HBNTYKKESA-N 2 0 264.391 -0.501 20 0 CBADRP [NH3+]C[C@H](O)CNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC001354299085 891559726 /nfs/dbraw/zinc/55/97/26/891559726.db2.gz WESRTQNKYHNFJD-RHYQMDGZSA-N 2 0 255.362 -0.267 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001354343372 891568855 /nfs/dbraw/zinc/56/88/55/891568855.db2.gz OVLKUMNQUSYLNL-QWHCGFSZSA-N 2 0 269.389 -0.066 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C[NH2+]1 ZINC001354424419 891578019 /nfs/dbraw/zinc/57/80/19/891578019.db2.gz OEOJBURIUHLSBD-IJLUTSLNSA-N 2 0 282.388 -0.560 20 0 CBADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]([NH3+])C(C)(C)O ZINC001354580085 891596295 /nfs/dbraw/zinc/59/62/95/891596295.db2.gz GEXOIIRCYYDOST-GMTAPVOTSA-N 2 0 255.362 -0.220 20 0 CBADRP [NH3+][C@H](C(=O)NCCN1CCC([NH3+])CC1)C1CCC1 ZINC001354771181 891615009 /nfs/dbraw/zinc/61/50/09/891615009.db2.gz RCMZXYXLWCXOFE-LBPRGKRZSA-N 2 0 254.378 -0.347 20 0 CBADRP [NH3+]CC1(CC(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC001354771406 891615532 /nfs/dbraw/zinc/61/55/32/891615532.db2.gz WCSTXODAKKPEBS-UHFFFAOYSA-N 2 0 254.378 -0.345 20 0 CBADRP CCO[C@H](CNC(=O)C[C@@H](C[NH3+])OC)C[NH+](C)C ZINC001354943715 891630904 /nfs/dbraw/zinc/63/09/04/891630904.db2.gz MRWIJGQHBZDIPI-WDEREUQCSA-N 2 0 261.366 -0.567 20 0 CBADRP C[C@@H]([NH3+])CC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001354992024 891636662 /nfs/dbraw/zinc/63/66/62/891636662.db2.gz SSBAOBUVGASGFK-ZJUUUORDSA-N 2 0 269.345 -0.475 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001355086575 891644401 /nfs/dbraw/zinc/64/44/01/891644401.db2.gz OEZDQZYDNIRURO-QCNOEVLYSA-N 2 0 253.346 -0.582 20 0 CBADRP [NH3+][C@@H](CO)Cc1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC001355402573 891674248 /nfs/dbraw/zinc/67/42/48/891674248.db2.gz OCQMZJKTSPIEGV-GHMZBOCLSA-N 2 0 253.350 -0.470 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001355488957 891685151 /nfs/dbraw/zinc/68/51/51/891685151.db2.gz UDEZUVWBIOMLAP-SBFPOUOMSA-N 2 0 253.346 -0.500 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001355488578 891685373 /nfs/dbraw/zinc/68/53/73/891685373.db2.gz OWYBQXYWXLAAJY-ONYIWYLUSA-N 2 0 253.346 -0.238 20 0 CBADRP C[C@]1(C(=O)N[C@H]2C[C@@H]([NH3+])C23CCC3)C[NH2+]CCO1 ZINC001355695182 891698109 /nfs/dbraw/zinc/69/81/09/891698109.db2.gz HJNSJWAXHCQWCM-JFGNBEQYSA-N 2 0 253.346 -0.249 20 0 CBADRP C[C@@]1(C(=O)NC2CC3(CC([NH3+])C3)C2)C[NH2+]CCO1 ZINC001356177521 891735472 /nfs/dbraw/zinc/73/54/72/891735472.db2.gz XVWPTKVGQSZFMY-OAOGMHECSA-N 2 0 253.346 -0.249 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3OCC[C@@H]3[NH3+])[C@H]2C1 ZINC001356414315 891756482 /nfs/dbraw/zinc/75/64/82/891756482.db2.gz XMYLEUZOHUASNY-UHFZAUJKSA-N 2 0 253.346 -0.441 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001356438049 891759055 /nfs/dbraw/zinc/75/90/55/891759055.db2.gz NIEKSCMBAVFCDA-MNOVXSKESA-N 2 0 280.372 -0.663 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001356452767 891762892 /nfs/dbraw/zinc/76/28/92/891762892.db2.gz BTEQKPIDJIJUOJ-NWDGAFQWSA-N 2 0 256.394 -0.229 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001356498498 891771318 /nfs/dbraw/zinc/77/13/18/891771318.db2.gz GJYHJKOMJJNBDL-MNOVXSKESA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC001356631213 891783552 /nfs/dbraw/zinc/78/35/52/891783552.db2.gz VDNCXVMOJQKKHE-YFKTTZPYSA-N 2 0 257.378 -0.211 20 0 CBADRP C[NH+](C)CCCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001356568150 891777410 /nfs/dbraw/zinc/77/74/10/891777410.db2.gz AOLGDDRNPHHDEK-AWEZNQCLSA-N 3 0 272.437 -0.474 20 0 CBADRP C[C@@H](NC(=O)NCC1([NH3+])CC1)[C@H]1CN(C)CCO1 ZINC001357262879 891865541 /nfs/dbraw/zinc/86/55/41/891865541.db2.gz WPRLRQLXVZINRM-NXEZZACHSA-N 2 0 256.350 -0.504 20 0 CBADRP CC(C)[C@@H](CN(C)C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001357243692 891866096 /nfs/dbraw/zinc/86/60/96/891866096.db2.gz VGKIKCZRYNKFOR-LSDHHAIUSA-N 2 0 286.464 -0.230 20 0 CBADRP C[C@H](NC(=O)NCC1([NH3+])CC1)[C@H]1CN(C)CCO1 ZINC001357262881 891865927 /nfs/dbraw/zinc/86/59/27/891865927.db2.gz WPRLRQLXVZINRM-VHSXEESVSA-N 2 0 256.350 -0.504 20 0 CBADRP CC1CC[NH+](CCNC(=O)[C@@H]([NH3+])C(C)(C)O)CC1 ZINC001357350335 891871609 /nfs/dbraw/zinc/87/16/09/891871609.db2.gz FZOIXHCLROSNJW-LLVKDONJSA-N 2 0 257.378 -0.067 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001357369668 891878142 /nfs/dbraw/zinc/87/81/42/891878142.db2.gz ZJHVYEAJUQESJL-GMTAPVOTSA-N 2 0 255.362 -0.172 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001357369669 891879054 /nfs/dbraw/zinc/87/90/54/891879054.db2.gz ZJHVYEAJUQESJL-HBNTYKKESA-N 2 0 255.362 -0.172 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[N@@H+]1C ZINC001357405579 891886630 /nfs/dbraw/zinc/88/66/30/891886630.db2.gz TXHODYTZFXBJAO-JHJVBQTASA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CCCN(C(=O)[C@H]2[NH2+]CC23CCOCC3)CC1 ZINC001357453452 891893750 /nfs/dbraw/zinc/89/37/50/891893750.db2.gz NWXXLIJOZFCLTA-GFCCVEGCSA-N 2 0 267.373 -0.081 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NCC1=CC[NH2+]CC1 ZINC001357453616 891894492 /nfs/dbraw/zinc/89/44/92/891894492.db2.gz PKCQYTRNXFQPPE-ZDUSSCGKSA-N 2 0 253.346 -0.473 20 0 CBADRP [NH3+]CCCNC(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001357436735 891895232 /nfs/dbraw/zinc/89/52/32/891895232.db2.gz XEOWOELQXHJBIJ-LLVKDONJSA-N 2 0 270.377 -0.125 20 0 CBADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CCNCC[NH2+]CC1 ZINC001357462320 891897669 /nfs/dbraw/zinc/89/76/69/891897669.db2.gz FSPIXTYUGKSMQR-CHWSQXEVSA-N 2 0 283.420 -0.292 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NCC2C[NH2+]C2)C[C@H]1C(F)(F)F ZINC001357463395 891897847 /nfs/dbraw/zinc/89/78/47/891897847.db2.gz MWLHZCASENSVSZ-HTQZYQBOSA-N 2 0 266.267 -0.263 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001357471371 891900242 /nfs/dbraw/zinc/90/02/42/891900242.db2.gz DPBJPKQSADQMKY-YFKTTZPYSA-N 2 0 255.362 -0.587 20 0 CBADRP O=C(NCCC[C@H]1CCC[NH2+]1)N1CCNCC[NH2+]CC1 ZINC001357484302 891902879 /nfs/dbraw/zinc/90/28/79/891902879.db2.gz QVQMOSUEIJSMBC-CYBMUJFWSA-N 2 0 283.420 -0.277 20 0 CBADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001357474774 891903405 /nfs/dbraw/zinc/90/34/05/891903405.db2.gz QSOQPCUSWHLXGQ-NXEZZACHSA-N 2 0 268.361 -0.950 20 0 CBADRP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001357474898 891903657 /nfs/dbraw/zinc/90/36/57/891903657.db2.gz SAHDLYNPKOWLSM-RYUDHWBXSA-N 2 0 294.399 -0.545 20 0 CBADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001357486870 891903848 /nfs/dbraw/zinc/90/38/48/891903848.db2.gz OIKABPIUIBOGSB-RISCZKNCSA-N 2 0 269.389 -0.005 20 0 CBADRP C[C@H](CCC[NH3+])NC(=O)N1CCNCC[NH2+]CC1 ZINC001357485713 891904086 /nfs/dbraw/zinc/90/40/86/891904086.db2.gz ZXAKDDSZHKKGJH-LLVKDONJSA-N 2 0 257.382 -0.682 20 0 CBADRP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001357474776 891904476 /nfs/dbraw/zinc/90/44/76/891904476.db2.gz QSOQPCUSWHLXGQ-VHSXEESVSA-N 2 0 268.361 -0.950 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC001357642731 891924232 /nfs/dbraw/zinc/92/42/32/891924232.db2.gz IMTGCBVFXAMIEP-WISYIIOYSA-N 2 0 266.389 -0.383 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCCC[NH2+]C1CC1 ZINC001357678541 891926526 /nfs/dbraw/zinc/92/65/26/891926526.db2.gz HCMVZTFDSTUUMO-ZDUSSCGKSA-N 2 0 284.404 -0.266 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CCC2(C[NH2+]C2)CC1 ZINC001357811099 891936235 /nfs/dbraw/zinc/93/62/35/891936235.db2.gz HUECQGJOKCYUNO-NSHDSACASA-N 2 0 253.346 -0.423 20 0 CBADRP [NH3+][C@H](CCC(=O)NCC1(O)C[NH2+]C1)c1ccccc1 ZINC001357820744 891937824 /nfs/dbraw/zinc/93/78/24/891937824.db2.gz GQZOFHUUOSGCEE-GFCCVEGCSA-N 2 0 263.341 -0.083 20 0 CBADRP [NH3+]CCCSCCC(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001357845754 891941491 /nfs/dbraw/zinc/94/14/91/891941491.db2.gz IACNNRKLPVPUAS-JTQLQIEISA-N 2 0 273.402 -0.294 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001357923857 891948265 /nfs/dbraw/zinc/94/82/65/891948265.db2.gz XKFOQZJKVIUIBJ-STQMWFEESA-N 2 0 284.404 -0.931 20 0 CBADRP O=C([C@H]1C[NH2+]CCC1(F)F)N1CCC[C@H]([NH2+]CCO)C1 ZINC001357951697 891949560 /nfs/dbraw/zinc/94/95/60/891949560.db2.gz FRGAICUHNUTDJS-WDEREUQCSA-N 2 0 291.342 -0.196 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001357967066 891949585 /nfs/dbraw/zinc/94/95/85/891949585.db2.gz PEEUKPVHSNNLFC-NEPJUHHUSA-N 2 0 257.378 -0.102 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001357967069 891949852 /nfs/dbraw/zinc/94/98/52/891949852.db2.gz PEEUKPVHSNNLFC-VXGBXAGGSA-N 2 0 257.378 -0.102 20 0 CBADRP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001357951694 891950012 /nfs/dbraw/zinc/95/00/12/891950012.db2.gz FRGAICUHNUTDJS-MNOVXSKESA-N 2 0 291.342 -0.196 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001358001529 891956997 /nfs/dbraw/zinc/95/69/97/891956997.db2.gz QEYFFSLXWSDNBP-GMTAPVOTSA-N 2 0 269.345 -0.380 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCCC[C@@H]1C[NH2+]C ZINC001358046253 891963010 /nfs/dbraw/zinc/96/30/10/891963010.db2.gz ZTQQTYOYRZWAMJ-QJPTWQEYSA-N 2 0 257.378 -0.197 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)CCC[NH3+])C2 ZINC001358094506 891969068 /nfs/dbraw/zinc/96/90/68/891969068.db2.gz SBQCKCFBGDLNNN-CWSCBRNRSA-N 2 0 269.345 -0.536 20 0 CBADRP [NH3+]CCOCC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001358129658 891974216 /nfs/dbraw/zinc/97/42/16/891974216.db2.gz BEHVBZSDCBZXPJ-YUMQZZPRSA-N 2 0 269.267 -0.300 20 0 CBADRP C[C@@H]1[C@H](NC(=O)c2cn(CCCC[NH3+])nn2)CC[N@@H+]1C ZINC001358185319 891978515 /nfs/dbraw/zinc/97/85/15/891978515.db2.gz IUGBEGJYSHCPRS-GHMZBOCLSA-N 2 0 280.376 -0.161 20 0 CBADRP C[NH+](C)CC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001358212269 891984127 /nfs/dbraw/zinc/98/41/27/891984127.db2.gz BTHKLMGZOJXAEX-SNVBAGLBSA-N 2 0 269.345 -0.651 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001358249012 891986975 /nfs/dbraw/zinc/98/69/75/891986975.db2.gz BLCHUNHJSSEGOA-JHJVBQTASA-N 2 0 266.389 -0.428 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC001358322244 891992219 /nfs/dbraw/zinc/99/22/19/891992219.db2.gz DEYYBVGGCLFPNE-BLFANLJRSA-N 2 0 255.362 -0.003 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001358316220 891993202 /nfs/dbraw/zinc/99/32/02/891993202.db2.gz APDWDUCJWDNDPX-OBJOEFQTSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001358316224 891995166 /nfs/dbraw/zinc/99/51/66/891995166.db2.gz APDWDUCJWDNDPX-SGMGOOAPSA-N 2 0 269.389 -0.053 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC001358504965 892015402 /nfs/dbraw/zinc/01/54/02/892015402.db2.gz BLKAQIANCRBSEJ-LOWVWBTDSA-N 2 0 252.362 -0.770 20 0 CBADRP C[C@@H](CC[NH+](C)C)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001361832226 892266778 /nfs/dbraw/zinc/26/67/78/892266778.db2.gz HGSFJNWDIIZMIM-STQMWFEESA-N 2 0 270.421 -0.064 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001362270122 892553713 /nfs/dbraw/zinc/55/37/13/892553713.db2.gz NZIWCVWHIYEYPX-BZPMIXESSA-N 2 0 287.404 -0.740 20 0 CBADRP O=C(CC[N@@H+]1CC[C@@H](F)C1)NCC[NH+]1CCC(O)CC1 ZINC001362965161 893209580 /nfs/dbraw/zinc/20/95/80/893209580.db2.gz HUDZBVFPGFAYBY-GFCCVEGCSA-N 2 0 287.379 -0.007 20 0 CBADRP CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC001363127805 893386976 /nfs/dbraw/zinc/38/69/76/893386976.db2.gz PEQHSXMJDMFGOL-UONOGXRCSA-N 2 0 280.416 -0.071 20 0 CBADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@]3(CCOC3=O)C2)CC1 ZINC001363313378 893571417 /nfs/dbraw/zinc/57/14/17/893571417.db2.gz OVCJVOKUUAKOKK-OAHLLOKOSA-N 2 0 295.383 -0.164 20 0 CBADRP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](CO)[C@H](CCO)C2)CC1 ZINC001363336948 893596962 /nfs/dbraw/zinc/59/69/62/893596962.db2.gz XUWXYMBRKRPODP-CHWSQXEVSA-N 2 0 299.415 -0.881 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)C1 ZINC001363371796 893621470 /nfs/dbraw/zinc/62/14/70/893621470.db2.gz QXHCNQHDPZUZJV-HZSPNIEDSA-N 2 0 281.400 -0.004 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C[NH+](C)C ZINC001363511977 893750748 /nfs/dbraw/zinc/75/07/48/893750748.db2.gz HCAVAXVKTMASFK-CHWSQXEVSA-N 2 0 298.431 -0.160 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001363686902 893912374 /nfs/dbraw/zinc/91/23/74/893912374.db2.gz YOWSOIWPNFQUFV-ZKYQVNSYSA-N 2 0 283.372 -0.969 20 0 CBADRP CN(C)S(=O)(=O)CCN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001364776138 894610602 /nfs/dbraw/zinc/61/06/02/894610602.db2.gz JOQDNQKNWVVJHN-NEPJUHHUSA-N 2 0 275.418 -0.239 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CCCN(CC(=O)NC)CC1 ZINC001365331504 894908587 /nfs/dbraw/zinc/90/85/87/894908587.db2.gz FNDNYQMLDXKJGJ-ZDUSSCGKSA-N 2 0 286.420 -0.947 20 0 CBADRP C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)C2 ZINC001365590723 895034551 /nfs/dbraw/zinc/03/45/51/895034551.db2.gz VVAUJWTWWHJZQR-FLTXBFBQSA-N 2 0 296.415 -0.023 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001365812669 895124693 /nfs/dbraw/zinc/12/46/93/895124693.db2.gz XYHCWUIUUYGVEQ-UONOGXRCSA-N 2 0 299.415 -0.378 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001365819679 895128059 /nfs/dbraw/zinc/12/80/59/895128059.db2.gz VOBOYPBIHBOMEZ-XQQFMLRXSA-N 2 0 296.415 -0.170 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001365827112 895128509 /nfs/dbraw/zinc/12/85/09/895128509.db2.gz RGVAGALFESKNQQ-SDDRHHMPSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001365828354 895128727 /nfs/dbraw/zinc/12/87/27/895128727.db2.gz ZIPXCGBXTMSNDK-AXFHLTTASA-N 2 0 270.377 -0.704 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001365820978 895129711 /nfs/dbraw/zinc/12/97/11/895129711.db2.gz NNAFBGXCCHYQAJ-RWMBFGLXSA-N 2 0 298.431 -0.053 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001365856204 895136452 /nfs/dbraw/zinc/13/64/52/895136452.db2.gz CAIYGMMSZWLJSK-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001365856115 895136516 /nfs/dbraw/zinc/13/65/16/895136516.db2.gz SRNWWFQWDRVPFT-AVGNSLFASA-N 2 0 298.431 -0.053 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCN1CC[NH+](CCO)CC1 ZINC001365959909 895152502 /nfs/dbraw/zinc/15/25/02/895152502.db2.gz NMZSSUDSFDAXBF-AWEZNQCLSA-N 2 0 298.431 -0.803 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001366124422 895196525 /nfs/dbraw/zinc/19/65/25/895196525.db2.gz NMBXGPCDAMRKDZ-YRGRVCCFSA-N 2 0 298.431 -0.055 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](O)COC)C1)[NH+](C)C ZINC001366123867 895197269 /nfs/dbraw/zinc/19/72/69/895197269.db2.gz DCHOLMIVMRJYEW-CYDGBPFRSA-N 2 0 287.404 -0.429 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001366118515 895198495 /nfs/dbraw/zinc/19/84/95/895198495.db2.gz OMTOOIOQHUZYHY-SRVKXCTJSA-N 2 0 282.388 -0.547 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001366130147 895200135 /nfs/dbraw/zinc/20/01/35/895200135.db2.gz ZZESWDAPABHHAL-FDYHWXHSSA-N 2 0 285.388 -0.818 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001366129517 895201503 /nfs/dbraw/zinc/20/15/03/895201503.db2.gz FPXJRYDXMWHFRV-HAQNSBGRSA-N 2 0 294.403 -0.108 20 0 CBADRP Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001366156065 895209039 /nfs/dbraw/zinc/20/90/39/895209039.db2.gz OYUAMHLYKRUBQJ-TXEJJXNPSA-N 2 0 294.403 -0.106 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001366166630 895213840 /nfs/dbraw/zinc/21/38/40/895213840.db2.gz DVVPTFQIQMPDLQ-RWMBFGLXSA-N 2 0 296.415 -0.299 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001366160192 895213994 /nfs/dbraw/zinc/21/39/94/895213994.db2.gz DCBWPXMKEDKTAZ-GRYCIOLGSA-N 2 0 284.404 -0.301 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001366173934 895214649 /nfs/dbraw/zinc/21/46/49/895214649.db2.gz WEXFDXUZHLWAST-YFKTTZPYSA-N 2 0 284.404 -0.317 20 0 CBADRP CC[C@@H]([NH2+][C@@H](C)CNC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001366281493 895258383 /nfs/dbraw/zinc/25/83/83/895258383.db2.gz AWLROGLCHABJNL-CMPLNLGQSA-N 2 0 284.404 -0.171 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]CC(N)=O)C1 ZINC001366320343 895274625 /nfs/dbraw/zinc/27/46/25/895274625.db2.gz ODLPPXCXBHHJSX-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]CC(=O)N1CCC1 ZINC001366325654 895276208 /nfs/dbraw/zinc/27/62/08/895276208.db2.gz MNVAANXCXXIZNJ-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(N)=O)C1 ZINC001366320345 895276815 /nfs/dbraw/zinc/27/68/15/895276815.db2.gz ODLPPXCXBHHJSX-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC(C)C)[NH+](C)C ZINC001366328181 895278988 /nfs/dbraw/zinc/27/89/88/895278988.db2.gz RRNMRSSFAFXJBI-RYUDHWBXSA-N 2 0 286.420 -0.055 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001366348295 895289040 /nfs/dbraw/zinc/28/90/40/895289040.db2.gz SXLPHFPCBIMLKH-WDEREUQCSA-N 2 0 270.377 -0.832 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001366346535 895290501 /nfs/dbraw/zinc/29/05/01/895290501.db2.gz ULMVYQDYDRCSDH-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001366382801 895302268 /nfs/dbraw/zinc/30/22/68/895302268.db2.gz WWGUQLRRFULWFO-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001366395991 895311278 /nfs/dbraw/zinc/31/12/78/895311278.db2.gz ATPVFOCKUMOPHW-LLVKDONJSA-N 2 0 295.391 -0.900 20 0 CBADRP C[C@@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC(N)=O ZINC001366471833 895327268 /nfs/dbraw/zinc/32/72/68/895327268.db2.gz FUQJRXSPCKOEHU-NSHDSACASA-N 2 0 282.388 -0.416 20 0 CBADRP C[C@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H](C)C(N)=O ZINC001366471155 895328593 /nfs/dbraw/zinc/32/85/93/895328593.db2.gz ISNSDGJCXBLDJQ-MNOVXSKESA-N 2 0 284.404 -0.171 20 0 CBADRP CCN1CC[C@H](N(C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001366522429 895354243 /nfs/dbraw/zinc/35/42/43/895354243.db2.gz XWJVJOSMFIGZCL-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCN(C)C1=O ZINC001366602636 895406816 /nfs/dbraw/zinc/40/68/16/895406816.db2.gz HFUGQMVIUMULBE-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP COC[C@H](O)C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001366759159 895449025 /nfs/dbraw/zinc/44/90/25/895449025.db2.gz HROLOEIJUUGNHV-TZMCWYRMSA-N 2 0 299.415 -0.474 20 0 CBADRP CCN1CC[C@H]([NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C)C1=O ZINC001366775063 895456513 /nfs/dbraw/zinc/45/65/13/895456513.db2.gz MACVSHZZPUGRKW-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001366774833 895456756 /nfs/dbraw/zinc/45/67/56/895456756.db2.gz XRTAVNXRMGIRKC-CHWSQXEVSA-N 2 0 294.399 -0.735 20 0 CBADRP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001366779040 895460794 /nfs/dbraw/zinc/46/07/94/895460794.db2.gz QRVVWMXKYCZMMJ-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001366851958 895474939 /nfs/dbraw/zinc/47/49/39/895474939.db2.gz IUXLUPCPAKZYFD-ZDUSSCGKSA-N 2 0 296.415 -0.344 20 0 CBADRP CC(C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001366885911 895476897 /nfs/dbraw/zinc/47/68/97/895476897.db2.gz XOTRBDGWJQTWMF-OCCSQVGLSA-N 2 0 298.431 -0.162 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001366894726 895482339 /nfs/dbraw/zinc/48/23/39/895482339.db2.gz VYTSFSXNPFMXLI-HZSPNIEDSA-N 2 0 299.415 -0.332 20 0 CBADRP COC[C@H](O)CN1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001366937712 895496374 /nfs/dbraw/zinc/49/63/74/895496374.db2.gz APHAAJZSPMKMQQ-WCQYABFASA-N 2 0 285.388 -0.864 20 0 CBADRP COC[C@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001366963103 895507932 /nfs/dbraw/zinc/50/79/32/895507932.db2.gz MXCILJWHSZVGRR-MRVWCRGKSA-N 2 0 299.415 -0.618 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](C[C@H](O)COC)C1 ZINC001367020987 895529306 /nfs/dbraw/zinc/52/93/06/895529306.db2.gz YNECIKNISBMMCX-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C[C@@H](O)COC)C1)[NH+](C)C ZINC001367039088 895542021 /nfs/dbraw/zinc/54/20/21/895542021.db2.gz MJIMVNLMANILIU-UPJWGTAASA-N 2 0 287.404 -0.476 20 0 CBADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001367138214 895573798 /nfs/dbraw/zinc/57/37/98/895573798.db2.gz HOLXQXUWVTUAPP-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)C(N)=O ZINC001367145314 895573963 /nfs/dbraw/zinc/57/39/63/895573963.db2.gz XTFQOCWERMGKFX-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001367216394 895582467 /nfs/dbraw/zinc/58/24/67/895582467.db2.gz UACCLVHEOYUORL-OLZOCXBDSA-N 2 0 296.415 -0.075 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001367219286 895584837 /nfs/dbraw/zinc/58/48/37/895584837.db2.gz BMLUCYYUCCATHK-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]CC(=O)NC1CC1 ZINC001367230887 895590954 /nfs/dbraw/zinc/59/09/54/895590954.db2.gz CUKGUVUMLHHEDN-AAEUAGOBSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+][C@H](C)C(N)=O ZINC001367238845 895592525 /nfs/dbraw/zinc/59/25/25/895592525.db2.gz COCSMBUWESHVDG-WDEREUQCSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001367242885 895592771 /nfs/dbraw/zinc/59/27/71/895592771.db2.gz XXRFZDXRVDKZAG-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(N)=O)C1 ZINC001367263469 895600160 /nfs/dbraw/zinc/60/01/60/895600160.db2.gz CQRQOERFXNOFOW-CHWSQXEVSA-N 2 0 298.431 -0.064 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001367272530 895602579 /nfs/dbraw/zinc/60/25/79/895602579.db2.gz XSESHHVVOLFEMA-NWDGAFQWSA-N 2 0 298.431 -0.195 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367290015 895605376 /nfs/dbraw/zinc/60/53/76/895605376.db2.gz NQNGRDLYEHNAOQ-STQMWFEESA-N 2 0 298.431 -0.194 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001367492083 895645550 /nfs/dbraw/zinc/64/55/50/895645550.db2.gz LVHVVNQBVFFHNO-QWHCGFSZSA-N 2 0 298.431 -0.195 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001367552171 895661915 /nfs/dbraw/zinc/66/19/15/895661915.db2.gz NJSZPNYBOVSBNL-ZDUSSCGKSA-N 2 0 287.404 -0.520 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCCCO1 ZINC001367601032 895695083 /nfs/dbraw/zinc/69/50/83/895695083.db2.gz LDDBQOKYCNYUFW-QWHCGFSZSA-N 2 0 287.404 -0.426 20 0 CBADRP COC[C@H](C)[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001367620880 895711133 /nfs/dbraw/zinc/71/11/33/895711133.db2.gz CHQWWFJVJMRIAE-RYUDHWBXSA-N 2 0 273.377 -0.816 20 0 CBADRP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001367645049 895719687 /nfs/dbraw/zinc/71/96/87/895719687.db2.gz RPRUPTQWXIPNSW-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP CCN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001367646687 895721852 /nfs/dbraw/zinc/72/18/52/895721852.db2.gz INRFJFPVGMHYAC-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001367646004 895722517 /nfs/dbraw/zinc/72/25/17/895722517.db2.gz YNZCHCMMIIQPSO-NEPJUHHUSA-N 2 0 286.420 -0.055 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001367646686 895722460 /nfs/dbraw/zinc/72/24/60/895722460.db2.gz INRFJFPVGMHYAC-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001367653862 895724644 /nfs/dbraw/zinc/72/46/44/895724644.db2.gz BXWIOLHZFAPSIR-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001367680975 895745355 /nfs/dbraw/zinc/74/53/55/895745355.db2.gz PWJXJSFYZWIRGU-NEPJUHHUSA-N 2 0 294.399 -0.402 20 0 CBADRP CCN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367681858 895746795 /nfs/dbraw/zinc/74/67/95/895746795.db2.gz AZULSTDOUIMRQY-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)NC(=O)CC[NH+](C)C ZINC001367695610 895747996 /nfs/dbraw/zinc/74/79/96/895747996.db2.gz JIUUEXBCNREVTM-GHMZBOCLSA-N 2 0 272.393 -0.491 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001367733273 895781679 /nfs/dbraw/zinc/78/16/79/895781679.db2.gz YMFXFAMLVJCGPM-RWMBFGLXSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](C[NH2+]C[C@@H]1CCNC(=O)CC1)NC(=O)CC[NH+](C)C ZINC001367752220 895790116 /nfs/dbraw/zinc/79/01/16/895790116.db2.gz FVDTWNKZSPBHJG-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001367907258 895848496 /nfs/dbraw/zinc/84/84/96/895848496.db2.gz MDDBUPAXCPCNKV-NEPJUHHUSA-N 2 0 282.388 -0.560 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001367907271 895849113 /nfs/dbraw/zinc/84/91/13/895849113.db2.gz MDDBUPAXCPCNKV-NWDGAFQWSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H]([NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CC1)C(N)=O ZINC001367915396 895855189 /nfs/dbraw/zinc/85/51/89/895855189.db2.gz ZSUYAXFDHRPCPH-GXSJLCMTSA-N 2 0 270.377 -0.704 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001367962225 895867823 /nfs/dbraw/zinc/86/78/23/895867823.db2.gz RDNIKBOAEWVWTM-CHWSQXEVSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001368009940 895889400 /nfs/dbraw/zinc/88/94/00/895889400.db2.gz ADKNLZRCYQYYNK-STQMWFEESA-N 2 0 299.415 -0.284 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2([NH2+]CC(N)=O)CC2)C1 ZINC001368023706 895891281 /nfs/dbraw/zinc/89/12/81/895891281.db2.gz ZTZUURMKHZQPPT-LBPRGKRZSA-N 2 0 296.415 -0.168 20 0 CBADRP CN(C)C(=O)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001368017510 895891414 /nfs/dbraw/zinc/89/14/14/895891414.db2.gz HEDIZANXNZBBBZ-UHFFFAOYSA-N 2 0 270.377 -0.735 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CC2)C1 ZINC001368023704 895892541 /nfs/dbraw/zinc/89/25/41/895892541.db2.gz ZTZUURMKHZQPPT-GFCCVEGCSA-N 2 0 296.415 -0.168 20 0 CBADRP CC[C@@H](C(=O)NCC1([NH2+][C@H](C)C(N)=O)CC1)[NH+](C)C ZINC001368019051 895892643 /nfs/dbraw/zinc/89/26/43/895892643.db2.gz LCKAUSCPZVCXFH-ZJUUUORDSA-N 2 0 270.377 -0.561 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001368110149 895915149 /nfs/dbraw/zinc/91/51/49/895915149.db2.gz WDIKCVHWEDKSOK-GXTWGEPZSA-N 2 0 298.431 -0.101 20 0 CBADRP CN(C)C(=O)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001368490618 896019719 /nfs/dbraw/zinc/01/97/19/896019719.db2.gz SKYJCHFVCCZDDR-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001368612922 896044688 /nfs/dbraw/zinc/04/46/88/896044688.db2.gz LYBUDAHGSVCNSU-UKRRQHHQSA-N 2 0 299.415 -0.330 20 0 CBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001368661060 896053532 /nfs/dbraw/zinc/05/35/32/896053532.db2.gz UJRWZODNXUYFBF-NWDGAFQWSA-N 2 0 284.404 -0.537 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]CC(N)=O)CC1 ZINC001368654893 896055288 /nfs/dbraw/zinc/05/52/88/896055288.db2.gz OUAABTWKFYEWBR-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001368717226 896066277 /nfs/dbraw/zinc/06/62/77/896066277.db2.gz NNDKZEZHRNBZLY-YNEHKIRRSA-N 2 0 298.431 -0.053 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001368739715 896070620 /nfs/dbraw/zinc/07/06/20/896070620.db2.gz DNBSRBDBHAICKT-QWHCGFSZSA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CCn1cncn1 ZINC001368897866 896108084 /nfs/dbraw/zinc/10/80/84/896108084.db2.gz BUJPLEFJNGBZJD-STQMWFEESA-N 2 0 294.403 -0.143 20 0 CBADRP COC[C@H](O)C[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001369096376 896152428 /nfs/dbraw/zinc/15/24/28/896152428.db2.gz BVABIMJESNJZPA-TZMCWYRMSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)C[NH+]1CCCC1 ZINC001452808267 914038698 /nfs/dbraw/zinc/03/86/98/914038698.db2.gz SEQCNTUENIFTLG-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001369178613 896164083 /nfs/dbraw/zinc/16/40/83/896164083.db2.gz JAXJFQXXIYKKCQ-AVGNSLFASA-N 2 0 296.415 -0.299 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2ccnc2)C1 ZINC001369187374 896167413 /nfs/dbraw/zinc/16/74/13/896167413.db2.gz WDCRIVZJDRUFGG-AVGNSLFASA-N 2 0 296.371 -0.625 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001369275780 896185721 /nfs/dbraw/zinc/18/57/21/896185721.db2.gz YKXLFNNFFMRGNN-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001369275779 896185747 /nfs/dbraw/zinc/18/57/47/896185747.db2.gz YKXLFNNFFMRGNN-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CCN1CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)C1=O ZINC001369275214 896185799 /nfs/dbraw/zinc/18/57/99/896185799.db2.gz IUTZRTQMLAOCML-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001369316646 896208959 /nfs/dbraw/zinc/20/89/59/896208959.db2.gz XMAXKDPVCIERST-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001369403189 896260607 /nfs/dbraw/zinc/26/06/07/896260607.db2.gz OTRVKBXHHBQGCW-VXGBXAGGSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC001369438800 896270253 /nfs/dbraw/zinc/27/02/53/896270253.db2.gz CYSIXXWWJMYPDR-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP NC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001369451008 896275023 /nfs/dbraw/zinc/27/50/23/896275023.db2.gz WJOUDVKVMKAEEU-VXGBXAGGSA-N 2 0 282.388 -0.558 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+]C[C@@H](C)O ZINC001369488948 896289072 /nfs/dbraw/zinc/28/90/72/896289072.db2.gz LIHUEOFNTWJSHU-VXGBXAGGSA-N 2 0 275.393 -0.884 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+]C[C@H](C)O ZINC001369488947 896291381 /nfs/dbraw/zinc/29/13/81/896291381.db2.gz LIHUEOFNTWJSHU-RYUDHWBXSA-N 2 0 275.393 -0.884 20 0 CBADRP C[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001369515416 896309359 /nfs/dbraw/zinc/30/93/59/896309359.db2.gz NUZONPIMRJEXKP-OLZOCXBDSA-N 2 0 287.404 -0.786 20 0 CBADRP CN(C[C@H](O)C[N@H+](C)CCCO)C(=O)C12CC[NH+](CC1)C2 ZINC001369514948 896309469 /nfs/dbraw/zinc/30/94/69/896309469.db2.gz QZLSMLNUPMJPPE-CYBMUJFWSA-N 2 0 299.415 -0.784 20 0 CBADRP C[C@@H](NC(=O)Cn1ccnc1)C1CC[NH+](CC(N)=O)CC1 ZINC001369570512 896318368 /nfs/dbraw/zinc/31/83/68/896318368.db2.gz MSTHTRHLKMYSCG-LLVKDONJSA-N 2 0 293.371 -0.415 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001369583926 896322151 /nfs/dbraw/zinc/32/21/51/896322151.db2.gz SBQGNSBNBVOBEW-XIVSLSHWSA-N 2 0 284.404 -0.363 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C(=O)CC[NH+](C)C ZINC001369836472 896346742 /nfs/dbraw/zinc/34/67/42/896346742.db2.gz HGLQWFGMGFOBJJ-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001370219922 896410041 /nfs/dbraw/zinc/41/00/41/896410041.db2.gz CLUWGTGTELALRG-WCQYABFASA-N 2 0 296.415 -0.441 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001370402919 896423038 /nfs/dbraw/zinc/42/30/38/896423038.db2.gz FZHXWCOSVWRVJT-RYUDHWBXSA-N 2 0 284.404 -0.395 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001370394508 896423323 /nfs/dbraw/zinc/42/33/23/896423323.db2.gz ZFUFJSFVJHTGRP-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001370567295 896444664 /nfs/dbraw/zinc/44/46/64/896444664.db2.gz XEYJUZBRTITBAD-HAQNSBGRSA-N 2 0 294.403 -0.108 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)[NH+](CC)CC ZINC001370671350 896472018 /nfs/dbraw/zinc/47/20/18/896472018.db2.gz LKYHWLMFNDXBEI-GRYCIOLGSA-N 2 0 284.404 -0.171 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001370676707 896475382 /nfs/dbraw/zinc/47/53/82/896475382.db2.gz JQIFXXMFYXUROK-LPWJVIDDSA-N 2 0 296.415 -0.301 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001370807560 896505307 /nfs/dbraw/zinc/50/53/07/896505307.db2.gz LXIBGFLCPYSIHN-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001370807552 896506310 /nfs/dbraw/zinc/50/63/10/896506310.db2.gz LXIBGFLCPYSIHN-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001370964434 896526047 /nfs/dbraw/zinc/52/60/47/896526047.db2.gz ORSWIDICCMMRQY-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001370982007 896529476 /nfs/dbraw/zinc/52/94/76/896529476.db2.gz WBLMVOJXBBUIRA-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)[NH+](C)C ZINC001371015229 896533749 /nfs/dbraw/zinc/53/37/49/896533749.db2.gz PFLJOHIYNKJBBE-FHUSYTEZSA-N 2 0 294.399 -0.739 20 0 CBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@H](C)C(=O)N(C)C ZINC001371341633 896592059 /nfs/dbraw/zinc/59/20/59/896592059.db2.gz CIGVAPRCRBNYNX-VXGBXAGGSA-N 2 0 298.431 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001371422625 896606661 /nfs/dbraw/zinc/60/66/61/896606661.db2.gz DRSZVHVZPHDJLE-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N(C)C1CC1 ZINC001371464501 896616719 /nfs/dbraw/zinc/61/67/19/896616719.db2.gz BAEXQORWYMFYOE-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001371511957 896626004 /nfs/dbraw/zinc/62/60/04/896626004.db2.gz BVBCKSRXKLGERM-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001371545036 896632923 /nfs/dbraw/zinc/63/29/23/896632923.db2.gz VDBJNEBKVXCLIX-STQMWFEESA-N 2 0 285.388 -0.720 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001371582797 896641862 /nfs/dbraw/zinc/64/18/62/896641862.db2.gz MCMSQRJZZQNGME-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001371876658 896672974 /nfs/dbraw/zinc/67/29/74/896672974.db2.gz IRYRARLSJDLQTD-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001372006071 896705945 /nfs/dbraw/zinc/70/59/45/896705945.db2.gz KKBXOLNWHMFWPW-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@@H](C(=O)NCC[N@H+](CC)[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001372412946 896781263 /nfs/dbraw/zinc/78/12/63/896781263.db2.gz IUWOASUJRCETOD-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@@H](C(=O)NCC[N@H+](CC)[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001372412466 896784303 /nfs/dbraw/zinc/78/43/03/896784303.db2.gz IUWOASUJRCETOD-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001372563517 896810068 /nfs/dbraw/zinc/81/00/68/896810068.db2.gz GGXUSQZUXRUPGB-KGLIPLIRSA-N 2 0 299.415 -0.330 20 0 CBADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001372662555 896827992 /nfs/dbraw/zinc/82/79/92/896827992.db2.gz BWKUDVWZOIVGFF-GFCCVEGCSA-N 2 0 284.404 -0.358 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001372682949 896835391 /nfs/dbraw/zinc/83/53/91/896835391.db2.gz QKDYTPUDKOVHQM-LLVKDONJSA-N 2 0 270.377 -0.750 20 0 CBADRP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C[N@H+](C)CC(C)(C)C ZINC001372942620 896906732 /nfs/dbraw/zinc/90/67/32/896906732.db2.gz GMANDKMGEZWCRW-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@H]([NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001372934309 896908384 /nfs/dbraw/zinc/90/83/84/896908384.db2.gz BVELQELSABPBAT-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(N)=O ZINC001372946261 896914123 /nfs/dbraw/zinc/91/41/23/896914123.db2.gz MCBAMLRDFIJLAF-QWRGUYRKSA-N 2 0 270.377 -0.750 20 0 CBADRP CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H](CC)[NH+](C)C)C(N)=O ZINC001372966344 896916723 /nfs/dbraw/zinc/91/67/23/896916723.db2.gz GOJJWKDLVLMEBY-GHMZBOCLSA-N 2 0 272.393 -0.362 20 0 CBADRP CC[C@@H]([NH2+]CCN(C)C(=O)[C@H](CC)[NH+](C)C)C(N)=O ZINC001372966346 896917430 /nfs/dbraw/zinc/91/74/30/896917430.db2.gz GOJJWKDLVLMEBY-MNOVXSKESA-N 2 0 272.393 -0.362 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001373311824 896972644 /nfs/dbraw/zinc/97/26/44/896972644.db2.gz KDLRQWBNJQLSSS-RYUDHWBXSA-N 2 0 282.388 -0.796 20 0 CBADRP CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)N(C)C ZINC001373788221 897122635 /nfs/dbraw/zinc/12/26/35/897122635.db2.gz BBSLCYJRJZQFEK-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)N(C)C ZINC001373788218 897123445 /nfs/dbraw/zinc/12/34/45/897123445.db2.gz BBSLCYJRJZQFEK-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC)[NH+](C)C ZINC001374099051 897171814 /nfs/dbraw/zinc/17/18/14/897171814.db2.gz QBHVUMRKTOQMIE-QWRGUYRKSA-N 2 0 272.393 -0.586 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1cn(C)nn1 ZINC001374111778 897172305 /nfs/dbraw/zinc/17/23/05/897172305.db2.gz ZTOYPXYNYXOCMA-GFCCVEGCSA-N 2 0 294.403 -0.247 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374281476 897201124 /nfs/dbraw/zinc/20/11/24/897201124.db2.gz OHPVHAPKOMSJDE-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)N(C)C(=O)CC[NH+](C)C ZINC001374275825 897202859 /nfs/dbraw/zinc/20/28/59/897202859.db2.gz KHAREXJDXMAQGX-RYUDHWBXSA-N 2 0 284.404 -0.395 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374282454 897206046 /nfs/dbraw/zinc/20/60/46/897206046.db2.gz PTTYIRZMQZDGEQ-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001374312102 897212930 /nfs/dbraw/zinc/21/29/30/897212930.db2.gz KLNKRKVKEOWYBY-RYUDHWBXSA-N 2 0 294.399 -0.593 20 0 CBADRP CC(C)[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC(N)=O ZINC001374437216 897224119 /nfs/dbraw/zinc/22/41/19/897224119.db2.gz CLWUGDPNDJSVOP-ZDUSSCGKSA-N 2 0 298.431 -0.066 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCN(C)CC(N)=O ZINC001374557802 897260541 /nfs/dbraw/zinc/26/05/41/897260541.db2.gz QBIKZAAORKZOSL-GFCCVEGCSA-N 2 0 284.404 -0.264 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cncs1 ZINC001374588967 897289049 /nfs/dbraw/zinc/28/90/49/897289049.db2.gz GRJNMCRRKGTWNT-JQWIXIFHSA-N 2 0 298.412 -0.196 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]C[C@@H]2CCOC2)CC1 ZINC001374643575 897324587 /nfs/dbraw/zinc/32/45/87/897324587.db2.gz QRFSUWBOMTYVOE-GXTWGEPZSA-N 2 0 299.415 -0.569 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC(NC(=O)C[NH+](C)C(C)C)C1 ZINC001374668616 897336401 /nfs/dbraw/zinc/33/64/01/897336401.db2.gz KYODZWLBCYEILS-UHFFFAOYSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@H](C(=O)N(CC)CC[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001374705557 897350404 /nfs/dbraw/zinc/35/04/04/897350404.db2.gz RNXNANQMYNLRFZ-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001374704703 897350645 /nfs/dbraw/zinc/35/06/45/897350645.db2.gz ODUXMMSAVJNCKL-QWRGUYRKSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001374772316 897384510 /nfs/dbraw/zinc/38/45/10/897384510.db2.gz QLSADQHGWJLBBB-ZYHUDNBSSA-N 2 0 282.388 -0.547 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001374811311 897400834 /nfs/dbraw/zinc/40/08/34/897400834.db2.gz NIOJNEASZRQAHN-DGCLKSJQSA-N 2 0 286.420 -0.245 20 0 CBADRP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374811304 897400879 /nfs/dbraw/zinc/40/08/79/897400879.db2.gz UHQYKRKMHNWMST-VXGBXAGGSA-N 2 0 294.403 -0.249 20 0 CBADRP Cc1nccn1CC(=O)N[C@H](C)CNCc1cnn(C)n1 ZINC001374846376 897406992 /nfs/dbraw/zinc/40/69/92/897406992.db2.gz ILERCNDAOWUKIE-SNVBAGLBSA-N 2 0 291.359 -0.385 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001374895478 897427175 /nfs/dbraw/zinc/42/71/75/897427175.db2.gz DALRMSWKPPSCFP-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001374899496 897427827 /nfs/dbraw/zinc/42/78/27/897427827.db2.gz OUOWVWHIOXMHQW-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001374950796 897437009 /nfs/dbraw/zinc/43/70/09/897437009.db2.gz IROGMQUWZCHFGS-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@H]1CCN(C)C1=O ZINC001375144658 897482895 /nfs/dbraw/zinc/48/28/95/897482895.db2.gz BPAAXLUTBPZLOR-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001375251919 897503826 /nfs/dbraw/zinc/50/38/26/897503826.db2.gz NAXGHNKKSSDYBV-GFCCVEGCSA-N 2 0 296.415 -0.441 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001375274278 897506791 /nfs/dbraw/zinc/50/67/91/897506791.db2.gz RSEWTIZTPJONFR-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001375422177 897539580 /nfs/dbraw/zinc/53/95/80/897539580.db2.gz URTBARCOHZSTJR-YPMHNXCESA-N 2 0 281.400 -0.053 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001375429599 897543362 /nfs/dbraw/zinc/54/33/62/897543362.db2.gz QTLLNLMJZIBXLI-UHFFFAOYSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)CC[NH+](C)C)CC1)C(=O)NC1CC1 ZINC001375465816 897546791 /nfs/dbraw/zinc/54/67/91/897546791.db2.gz NHACOYATBXUBLL-NSHDSACASA-N 2 0 296.415 -0.156 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001375499791 897554873 /nfs/dbraw/zinc/55/48/73/897554873.db2.gz QWKXCPHZDIGZMC-RFQIPJPRSA-N 2 0 299.415 -0.428 20 0 CBADRP CC(C)[NH+]1CCC(C(=O)NCC2([NH2+]CC(N)=O)CC2)CC1 ZINC001375519431 897558441 /nfs/dbraw/zinc/55/84/41/897558441.db2.gz YKDYAZDUNHFLTP-UHFFFAOYSA-N 2 0 296.415 -0.170 20 0 CBADRP CC(C)[C@H](C(=O)NCC1([NH2+][C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC001375531092 897562195 /nfs/dbraw/zinc/56/21/95/897562195.db2.gz OYKSCFCOJMQUEW-WDEREUQCSA-N 2 0 284.404 -0.315 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](CCO)CCO)C1 ZINC001375637767 897578202 /nfs/dbraw/zinc/57/82/02/897578202.db2.gz XEYFHDGCUSDPMD-KGLIPLIRSA-N 2 0 299.415 -0.642 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001375769274 897605847 /nfs/dbraw/zinc/60/58/47/897605847.db2.gz XPRSKYWHJNPCKI-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@H+](CC(=O)NCC1([NH2+]CCO)CCOCC1)C1CCC1 ZINC001375971516 897622125 /nfs/dbraw/zinc/62/21/25/897622125.db2.gz DMGOYSQOPFQAAM-UHFFFAOYSA-N 2 0 299.415 -0.282 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCCO)C1 ZINC001376043802 897640858 /nfs/dbraw/zinc/64/08/58/897640858.db2.gz BGQZJRQAVZBJMF-DZGCQCFKSA-N 2 0 299.415 -0.594 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+](CCCF)C1 ZINC001376074141 897645719 /nfs/dbraw/zinc/64/57/19/897645719.db2.gz AWUQQBXRCWUSIQ-ZDUSSCGKSA-N 2 0 275.368 -0.149 20 0 CBADRP COCC[N@@H+]1CC[C@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001376097495 897653924 /nfs/dbraw/zinc/65/39/24/897653924.db2.gz URNHMVGCVAYPJX-HIFRSBDPSA-N 2 0 299.415 -0.472 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376135868 897667059 /nfs/dbraw/zinc/66/70/59/897667059.db2.gz RWRGCVBBHJJRFI-CHWSQXEVSA-N 2 0 299.415 -0.332 20 0 CBADRP CCCNC(=O)CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001376155955 897676549 /nfs/dbraw/zinc/67/65/49/897676549.db2.gz QYJDJZDGGFNXLU-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C[C@@H](O)COC)C1 ZINC001376154923 897677361 /nfs/dbraw/zinc/67/73/61/897677361.db2.gz QTYUWRSFBDIJIH-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H]([NH2+][C@H](CNC(=O)CC[NH+](C)C)C1CC1)C(N)=O ZINC001376242046 897694866 /nfs/dbraw/zinc/69/48/66/897694866.db2.gz DXHYDDCQZQMGDZ-MWLCHTKSSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@H]([NH2+][C@H](CNC(=O)CC[NH+](C)C)C1CC1)C(N)=O ZINC001376242042 897695631 /nfs/dbraw/zinc/69/56/31/897695631.db2.gz DXHYDDCQZQMGDZ-GXSJLCMTSA-N 2 0 270.377 -0.704 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]([NH2+][C@@H](C)C(N)=O)C1CC1 ZINC001376276677 897702691 /nfs/dbraw/zinc/70/26/91/897702691.db2.gz KHKBJYAZCWIBEV-JQWIXIFHSA-N 2 0 284.404 -0.315 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001376312336 897710224 /nfs/dbraw/zinc/71/02/24/897710224.db2.gz DOFFDFCADHOQOI-XJFOESAGSA-N 2 0 299.415 -0.476 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001376377997 897724391 /nfs/dbraw/zinc/72/43/91/897724391.db2.gz UHANCAGGYSLMJB-XDQVBPFNSA-N 2 0 299.415 -0.285 20 0 CBADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001376405813 897726461 /nfs/dbraw/zinc/72/64/61/897726461.db2.gz ZASGCOHVSSUYJI-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001376405715 897726481 /nfs/dbraw/zinc/72/64/81/897726481.db2.gz XCMCBKJXWSPNMM-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@@H](C)C(N)=O)C[C@@H]2C1 ZINC001376418731 897729074 /nfs/dbraw/zinc/72/90/74/897729074.db2.gz RDQJEBWOSXLUIB-RWMBFGLXSA-N 2 0 296.415 -0.408 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001376491886 897756306 /nfs/dbraw/zinc/75/63/06/897756306.db2.gz NSCGDHZJLBMEQO-SDDRHHMPSA-N 2 0 284.404 -0.301 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001376749900 897831609 /nfs/dbraw/zinc/83/16/09/897831609.db2.gz GOXPTTOOIPZDKF-QWHCGFSZSA-N 2 0 299.415 -0.284 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001376743795 897832020 /nfs/dbraw/zinc/83/20/20/897832020.db2.gz VAMFYPUQXGGUAD-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@H]1CCCNC1=O ZINC001376809556 897853872 /nfs/dbraw/zinc/85/38/72/897853872.db2.gz WBWNCPVBADWJCQ-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001376853459 897872220 /nfs/dbraw/zinc/87/22/20/897872220.db2.gz WNZUOUIBHMRAOX-STQMWFEESA-N 2 0 299.415 -0.332 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001376940271 897897265 /nfs/dbraw/zinc/89/72/65/897897265.db2.gz MCMSQRJZZQNGME-MELADBBJSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001376948562 897899999 /nfs/dbraw/zinc/89/99/99/897899999.db2.gz OSOVWWDFJCXCMP-GHMZBOCLSA-N 2 0 270.377 -0.750 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001376967111 897903854 /nfs/dbraw/zinc/90/38/54/897903854.db2.gz HYCVLIHNPLHBFG-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001377114391 897932397 /nfs/dbraw/zinc/93/23/97/897932397.db2.gz VTTSJCMWXWLERS-NEPJUHHUSA-N 2 0 286.420 -0.055 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001377126753 897937916 /nfs/dbraw/zinc/93/79/16/897937916.db2.gz DTGIMTXETGQHOB-RYUDHWBXSA-N 2 0 273.377 -0.864 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CC(N)=O)CC1 ZINC001377273865 897994760 /nfs/dbraw/zinc/99/47/60/897994760.db2.gz KWDRWMQRFBYGEO-NSHDSACASA-N 2 0 282.388 -0.463 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001377470610 898057488 /nfs/dbraw/zinc/05/74/88/898057488.db2.gz IVEKTGGAPVOYMI-UONOGXRCSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001377572493 898090378 /nfs/dbraw/zinc/09/03/78/898090378.db2.gz GTPWWHKAXDLBKE-SNVBAGLBSA-N 2 0 270.377 -0.608 20 0 CBADRP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001377575060 898090921 /nfs/dbraw/zinc/09/09/21/898090921.db2.gz OVTFCCHHVTZCAL-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+][C@H]2CCNC2=O)CC[N@@H+]1C ZINC001377577058 898093693 /nfs/dbraw/zinc/09/36/93/898093693.db2.gz CXATWVQZGGXYNU-AVGNSLFASA-N 2 0 296.415 -0.347 20 0 CBADRP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001377578312 898095170 /nfs/dbraw/zinc/09/51/70/898095170.db2.gz GACQEIOCKMFCEX-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[C@H](C(=O)NCC[C@H]1CC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001377705614 898117712 /nfs/dbraw/zinc/11/77/12/898117712.db2.gz ZJNOXABKAWLGHB-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001377715542 898121809 /nfs/dbraw/zinc/12/18/09/898121809.db2.gz AIKNBGCCRMWKJN-VXGBXAGGSA-N 2 0 282.388 -0.748 20 0 CBADRP NC(=O)C[NH2+]CC1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001377731964 898125649 /nfs/dbraw/zinc/12/56/49/898125649.db2.gz ALAJYINTTSQFAC-UHFFFAOYSA-N 2 0 296.415 -0.168 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001377866481 898152273 /nfs/dbraw/zinc/15/22/73/898152273.db2.gz JCSONIABPDSKBZ-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)CC[NH+](C)C ZINC001377966639 898180465 /nfs/dbraw/zinc/18/04/65/898180465.db2.gz LUYZBOVMRIUGID-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](C)NC(=O)CC[NH+](C)C)[NH+](C)C ZINC001377965745 898182862 /nfs/dbraw/zinc/18/28/62/898182862.db2.gz JSVSJXCZCBWGTG-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)N(C)CC(=O)N1CCC1 ZINC001378108793 898239205 /nfs/dbraw/zinc/23/92/05/898239205.db2.gz BIWHTKAGEXITDM-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)[C@H]1CCNC1=O ZINC001378218373 898279925 /nfs/dbraw/zinc/27/99/25/898279925.db2.gz FYKFSLWETQVLQZ-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001378360601 898326062 /nfs/dbraw/zinc/32/60/62/898326062.db2.gz YDBHVJNKEYSLJK-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP C[N@H+](CC(=O)N[C@](C)(C[NH2+]CC(N)=O)C1CC1)C1CCC1 ZINC001378395883 898328972 /nfs/dbraw/zinc/32/89/72/898328972.db2.gz LEXBAKVXAOXWIO-OAHLLOKOSA-N 2 0 296.415 -0.170 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001378504343 898339685 /nfs/dbraw/zinc/33/96/85/898339685.db2.gz DTRHCOXIYKETCZ-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001378517010 898342458 /nfs/dbraw/zinc/34/24/58/898342458.db2.gz LPTVIQNMZWCACM-MCIONIFRSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H](CNC(=O)Cc1c[nH]cn1)C[NH2+][C@H]1CCCNC1=O ZINC001378614491 898368726 /nfs/dbraw/zinc/36/87/26/898368726.db2.gz PVXRKEJSZGVTQU-PWSUYJOCSA-N 2 0 293.371 -0.427 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001378636275 898372078 /nfs/dbraw/zinc/37/20/78/898372078.db2.gz FDTUIENIULQMPS-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+][C@H](C)C(=O)N(C)C ZINC001378636280 898372589 /nfs/dbraw/zinc/37/25/89/898372589.db2.gz FDTUIENIULQMPS-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001378646149 898376219 /nfs/dbraw/zinc/37/62/19/898376219.db2.gz MWPKZHSLJUBSLZ-NEPJUHHUSA-N 2 0 284.404 -0.584 20 0 CBADRP C[C@@H]([NH2+]CCO)[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001378790629 898413662 /nfs/dbraw/zinc/41/36/62/898413662.db2.gz KKPQVJOYSUOAGP-CHWSQXEVSA-N 2 0 285.388 -0.720 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001378858062 898423527 /nfs/dbraw/zinc/42/35/27/898423527.db2.gz ZVAYMDAZUJSNQZ-VXGBXAGGSA-N 2 0 284.404 -0.537 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001378867275 898427260 /nfs/dbraw/zinc/42/72/60/898427260.db2.gz FFDIUEYCWZZSFN-AVGNSLFASA-N 2 0 281.400 -0.053 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001378971449 898437053 /nfs/dbraw/zinc/43/70/53/898437053.db2.gz WBEGQKUAUOIEOE-RYUDHWBXSA-N 2 0 284.404 -0.443 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001378965801 898437751 /nfs/dbraw/zinc/43/77/51/898437751.db2.gz NYBLDQFMTNGMKX-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CC(N)=O)C1 ZINC001379147241 898474117 /nfs/dbraw/zinc/47/41/17/898474117.db2.gz HPDRFYCSXBIMNU-QWHCGFSZSA-N 2 0 296.415 -0.264 20 0 CBADRP Cc1cncn1CC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001379182881 898492720 /nfs/dbraw/zinc/49/27/20/898492720.db2.gz ATPCWURWCIEELJ-JQWIXIFHSA-N 2 0 293.371 -0.483 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N(C)C ZINC001379199112 898499854 /nfs/dbraw/zinc/49/98/54/898499854.db2.gz PODDTMMWVHIQPT-NWDGAFQWSA-N 2 0 284.404 -0.395 20 0 CBADRP C[C@H]([NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)c1cnccn1 ZINC001379238536 898517832 /nfs/dbraw/zinc/51/78/32/898517832.db2.gz LHPDHTZWQKATKY-NWDGAFQWSA-N 2 0 295.387 -0.444 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001379260160 898528453 /nfs/dbraw/zinc/52/84/53/898528453.db2.gz RBRKCJPKGBWTNS-NEPJUHHUSA-N 2 0 298.387 -0.110 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)C(=O)NC ZINC001379285702 898534913 /nfs/dbraw/zinc/53/49/13/898534913.db2.gz QCDYDTMXEQYAID-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC001379285918 898536263 /nfs/dbraw/zinc/53/62/63/898536263.db2.gz NSXOHESBRNSZGP-QWRGUYRKSA-N 2 0 272.393 -0.362 20 0 CBADRP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)N(C)C ZINC001379279121 898537853 /nfs/dbraw/zinc/53/78/53/898537853.db2.gz SJLSABGKAJXPGE-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)C[N@H+](C)C(C)C ZINC001379326973 898552127 /nfs/dbraw/zinc/55/21/27/898552127.db2.gz KGWJOHWCPZLVFG-LBPRGKRZSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001379350878 898569301 /nfs/dbraw/zinc/56/93/01/898569301.db2.gz XKWZMLHLFKARDN-MNOVXSKESA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001379447261 898618776 /nfs/dbraw/zinc/61/87/76/898618776.db2.gz GCFREBSDZQGEID-VXGBXAGGSA-N 2 0 294.403 -0.249 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001379453417 898622185 /nfs/dbraw/zinc/62/21/85/898622185.db2.gz SRVVVTMGGCANAD-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001379512710 898651538 /nfs/dbraw/zinc/65/15/38/898651538.db2.gz BOXZDDPAUQFMCD-YNEHKIRRSA-N 2 0 298.431 -0.101 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001379520150 898654609 /nfs/dbraw/zinc/65/46/09/898654609.db2.gz CIQBLDZJQOSRDR-WDEREUQCSA-N 2 0 272.393 -0.443 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001379531606 898657560 /nfs/dbraw/zinc/65/75/60/898657560.db2.gz WORATRBSRVUCFO-CHWSQXEVSA-N 2 0 285.388 -0.815 20 0 CBADRP Cn1nncc1C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001379889203 898753009 /nfs/dbraw/zinc/75/30/09/898753009.db2.gz BRKQINOGFKMPTL-CYBMUJFWSA-N 2 0 294.403 -0.249 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H](C[NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001379897412 898755628 /nfs/dbraw/zinc/75/56/28/898755628.db2.gz UPRWUHPDEXCSTP-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCn2cncn2)CC1 ZINC001380067580 898800228 /nfs/dbraw/zinc/80/02/28/898800228.db2.gz OZRWCLQCNKQDTE-LBPRGKRZSA-N 2 0 292.387 -0.389 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)N2CCC2)CC1 ZINC001380067086 898801218 /nfs/dbraw/zinc/80/12/18/898801218.db2.gz LADUJBKPQMFWQD-GFCCVEGCSA-N 2 0 294.399 -0.449 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)CC1 ZINC001380279794 898845044 /nfs/dbraw/zinc/84/50/44/898845044.db2.gz JBRLUKZUCUJPNN-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C)C(N)=O ZINC001380295387 898851173 /nfs/dbraw/zinc/85/11/73/898851173.db2.gz XTRSXNWWIUYXJK-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(N)=O)C2 ZINC001380656905 898930926 /nfs/dbraw/zinc/93/09/26/898930926.db2.gz GMRUKNOQIVEJEL-AVGNSLFASA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@H](C)C(N)=O)C[C@@H]2C1 ZINC001380703533 898938285 /nfs/dbraw/zinc/93/82/85/898938285.db2.gz KLFRYECOKXPMIC-UPJWGTAASA-N 2 0 296.415 -0.408 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)N(C)C(=O)CC[NH+](C)C ZINC001380846227 898958187 /nfs/dbraw/zinc/95/81/87/898958187.db2.gz FNDHWTOVJRBFFF-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CN(CCC[N@H+](C)CC(N)=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001380959264 898977049 /nfs/dbraw/zinc/97/70/49/898977049.db2.gz ZCHUJNFLLLRMQW-ZDUSSCGKSA-N 2 0 296.415 -0.406 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001380950643 898978071 /nfs/dbraw/zinc/97/80/71/898978071.db2.gz WKCXNRSMVUACEC-RYUDHWBXSA-N 2 0 284.404 -0.265 20 0 CBADRP C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1)C(N)=O ZINC001381274802 899023621 /nfs/dbraw/zinc/02/36/21/899023621.db2.gz QLOAWRDTACBODW-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CCO)C1 ZINC001381950655 899135062 /nfs/dbraw/zinc/13/50/62/899135062.db2.gz UUHPEAZVILUCBB-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001381965392 899137266 /nfs/dbraw/zinc/13/72/66/899137266.db2.gz JHNAMUDOUQVIEZ-DCAQKATOSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)NC(=O)CC[NH+](C)C ZINC001381994635 899140599 /nfs/dbraw/zinc/14/05/99/899140599.db2.gz KFCOQUHPKJLCIC-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CN(C(=O)C1([NH+](C)C)CCC1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001382022185 899142929 /nfs/dbraw/zinc/14/29/29/899142929.db2.gz YSQFXECWZUWUAL-GFCCVEGCSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+][C@H]1CCNC1=O ZINC001382128707 899159289 /nfs/dbraw/zinc/15/92/89/899159289.db2.gz UIKCBJOCFRQMSA-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+][C@@H]1CCNC1=O ZINC001382128719 899159628 /nfs/dbraw/zinc/15/96/28/899159628.db2.gz UIKCBJOCFRQMSA-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001382216532 899198198 /nfs/dbraw/zinc/19/81/98/899198198.db2.gz HYJNOADQHDVVKH-OLZOCXBDSA-N 2 0 287.404 -0.834 20 0 CBADRP C[NH+]1CCC(OCC(=O)NC[C@H](CO)[NH2+]CCF)CC1 ZINC001382256230 899216729 /nfs/dbraw/zinc/21/67/29/899216729.db2.gz BNFQPWSNICOBHZ-LLVKDONJSA-N 2 0 291.367 -0.867 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]CC[C@H]1CCOC1 ZINC001382269692 899224534 /nfs/dbraw/zinc/22/45/34/899224534.db2.gz AEAQITSHLAEMPO-UONOGXRCSA-N 2 0 299.415 -0.425 20 0 CBADRP Cc1ncc(CN[C@H](CO)CNC(=O)C[N@@H+](C)C(C)C)o1 ZINC001382282858 899233427 /nfs/dbraw/zinc/23/34/27/899233427.db2.gz KYRGQHJOLAWCAP-LBPRGKRZSA-N 2 0 298.387 -0.110 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001382315095 899246514 /nfs/dbraw/zinc/24/65/14/899246514.db2.gz LOOGPWGZBDVPLK-NWDGAFQWSA-N 2 0 294.399 -0.593 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382318788 899246670 /nfs/dbraw/zinc/24/66/70/899246670.db2.gz RWVVNDXTXOFQPZ-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]Cc2cnnn2C)CN1C(=O)CC[NH+](C)C ZINC001382319579 899248443 /nfs/dbraw/zinc/24/84/43/899248443.db2.gz TXJWXKSDJSIBCP-VXGBXAGGSA-N 2 0 294.403 -0.154 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001385309178 899561389 /nfs/dbraw/zinc/56/13/89/899561389.db2.gz IGGVHIVLEURGON-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001385654842 899587233 /nfs/dbraw/zinc/58/72/33/899587233.db2.gz IXYRXWMZVPKLPM-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[NH+](CC)CC(=O)N(C)CCNC(=O)C[NH+]1CCCC1 ZINC001386888583 899725727 /nfs/dbraw/zinc/72/57/27/899725727.db2.gz ARGQDZUGTNELRS-UHFFFAOYSA-N 2 0 298.431 -0.001 20 0 CBADRP CN(CCNC(=O)CC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001387094022 899760154 /nfs/dbraw/zinc/76/01/54/899760154.db2.gz MKBJPQCQJSAJRX-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP CCN(CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)CC[NH+](C)C ZINC001387172804 899770826 /nfs/dbraw/zinc/77/08/26/899770826.db2.gz WNEPZQUHCJQUKR-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001387732889 899824976 /nfs/dbraw/zinc/82/49/76/899824976.db2.gz LGKVTYFSSUDRSF-UHFFFAOYSA-N 2 0 296.415 -0.249 20 0 CBADRP CCC[N@H+](C)CC(=O)NC1CN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001387784086 899828569 /nfs/dbraw/zinc/82/85/69/899828569.db2.gz GYWCDJQKYGOZKR-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)CCCC(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001387796400 899832347 /nfs/dbraw/zinc/83/23/47/899832347.db2.gz GARVNHQBXDNRLQ-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@@H](C(=O)NC1CN(C(=O)CCC[NH+](C)C)C1)[NH+](C)C ZINC001387823422 899836881 /nfs/dbraw/zinc/83/68/81/899836881.db2.gz UCHGSQVVWXIESA-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCC(=O)N1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001387913823 899848135 /nfs/dbraw/zinc/84/81/35/899848135.db2.gz JMWPJFUHSYCWGZ-CYBMUJFWSA-N 2 0 296.415 -0.393 20 0 CBADRP CN(CCNC(=O)CC[NH+](C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001388058002 899863319 /nfs/dbraw/zinc/86/33/19/899863319.db2.gz NLWLFZCHYABLMR-GFCCVEGCSA-N 2 0 284.404 -0.536 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001388414738 899887293 /nfs/dbraw/zinc/88/72/93/899887293.db2.gz YGRCKYRURMTXCU-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001388729348 899904607 /nfs/dbraw/zinc/90/46/07/899904607.db2.gz WBIZXHLRGAQSLO-SRVKXCTJSA-N 2 0 282.388 -0.702 20 0 CBADRP CC[C@@H](C(=O)N1CC(NC(=O)CCC[NH+](C)C)C1)[NH+](C)C ZINC001389395003 900005502 /nfs/dbraw/zinc/00/55/02/900005502.db2.gz JJXCYUZLZABHAU-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@H](C(=O)N1CC(NC(=O)CCC[NH+](C)C)C1)[NH+](C)C ZINC001389394989 900006985 /nfs/dbraw/zinc/00/69/85/900006985.db2.gz JJXCYUZLZABHAU-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001389406344 900008058 /nfs/dbraw/zinc/00/80/58/900008058.db2.gz DXOZYCVZVQMQGF-RWMBFGLXSA-N 2 0 298.431 -0.101 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001389480750 900025508 /nfs/dbraw/zinc/02/55/08/900025508.db2.gz DVLRSURKGRJMRR-FRRDWIJNSA-N 2 0 285.388 -0.722 20 0 CBADRP C[C@H]([NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1)C(N)=O ZINC001389609362 900049645 /nfs/dbraw/zinc/04/96/45/900049645.db2.gz PBDRKMAQRMLGQP-JQWIXIFHSA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001389719340 900062589 /nfs/dbraw/zinc/06/25/89/900062589.db2.gz OPDIIWNGNGPHHT-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001389798067 900075079 /nfs/dbraw/zinc/07/50/79/900075079.db2.gz MRWCZWPOIDZSAE-WCQYABFASA-N 2 0 284.404 -0.491 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001389863504 900085683 /nfs/dbraw/zinc/08/56/83/900085683.db2.gz UCXUXUHMRBDHOY-LPWJVIDDSA-N 2 0 296.415 -0.302 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001390092425 900114289 /nfs/dbraw/zinc/11/42/89/900114289.db2.gz KEUYVBUMBHUPAS-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21)[NH+](C)C ZINC001390222178 900125515 /nfs/dbraw/zinc/12/55/15/900125515.db2.gz BFSQAHIBLCGEFG-PEBLQZBPSA-N 2 0 283.416 0.000 20 0 CBADRP C[C@@H]([NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1)C(N)=O ZINC001390265751 900125617 /nfs/dbraw/zinc/12/56/17/900125617.db2.gz NFQJVAZWLXMVBN-VOMCLLRMSA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001390306287 900131466 /nfs/dbraw/zinc/13/14/66/900131466.db2.gz JHKYTRWDSWKBCT-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001390367826 900146935 /nfs/dbraw/zinc/14/69/35/900146935.db2.gz MHPREPLCUZOMHU-DGCLKSJQSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(=O)N(C)C ZINC001390393104 900151516 /nfs/dbraw/zinc/15/15/16/900151516.db2.gz CSSHZTKUJLOQNE-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC(N)=O ZINC001390478404 900170866 /nfs/dbraw/zinc/17/08/66/900170866.db2.gz IQAQGJWSMJFGQA-JTQLQIEISA-N 2 0 272.393 -0.456 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001390487102 900173017 /nfs/dbraw/zinc/17/30/17/900173017.db2.gz XOPHVYLABMAMOC-RYUDHWBXSA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001390506779 900177365 /nfs/dbraw/zinc/17/73/65/900177365.db2.gz HZTSHQJWPDBPHE-GXTWGEPZSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H](C)C(=O)N(C)C ZINC001390510076 900178869 /nfs/dbraw/zinc/17/88/69/900178869.db2.gz OEIWDOKNXDBIOF-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001390517543 900178964 /nfs/dbraw/zinc/17/89/64/900178964.db2.gz YXLBWFRQAZVAOK-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NCC1CC1 ZINC001390522582 900179068 /nfs/dbraw/zinc/17/90/68/900179068.db2.gz RWHGUZNHGRCLPF-DGCLKSJQSA-N 2 0 296.415 -0.441 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(C)C)[NH+](C)C ZINC001390512245 900180455 /nfs/dbraw/zinc/18/04/55/900180455.db2.gz RRNMRSSFAFXJBI-VXGBXAGGSA-N 2 0 286.420 -0.055 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cnnn1C ZINC001390512527 900180936 /nfs/dbraw/zinc/18/09/36/900180936.db2.gz WSGDKXMEQUQZCF-NSHDSACASA-N 2 0 282.392 -0.249 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001390523546 900184220 /nfs/dbraw/zinc/18/42/20/900184220.db2.gz UPWWSLKZFDLDAW-NWDGAFQWSA-N 2 0 273.377 -0.816 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001390595921 900196716 /nfs/dbraw/zinc/19/67/16/900196716.db2.gz SARMHJNFTMALMX-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001390598925 900196982 /nfs/dbraw/zinc/19/69/82/900196982.db2.gz UERVZZVNPLZBNR-NSHDSACASA-N 2 0 282.388 -0.748 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001390614668 900197008 /nfs/dbraw/zinc/19/70/08/900197008.db2.gz XULLFKVWQHHQKN-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@@H](C)C(N)=O ZINC001390678720 900208732 /nfs/dbraw/zinc/20/87/32/900208732.db2.gz KVRTZHJFJHEQMS-RYUDHWBXSA-N 2 0 296.415 -0.027 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001390714669 900216181 /nfs/dbraw/zinc/21/61/81/900216181.db2.gz MJPOBFLXOMPQTH-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccnn1C ZINC001390858680 900264560 /nfs/dbraw/zinc/26/45/60/900264560.db2.gz FWJZCJBCXZTFLO-LBPRGKRZSA-N 2 0 279.388 -0.080 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001391113423 900312994 /nfs/dbraw/zinc/31/29/94/900312994.db2.gz IVEKTGGAPVOYMI-KBPBESRZSA-N 2 0 299.415 -0.472 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001391113425 900315569 /nfs/dbraw/zinc/31/55/69/900315569.db2.gz IVEKTGGAPVOYMI-KGLIPLIRSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001391210079 900339743 /nfs/dbraw/zinc/33/97/43/900339743.db2.gz OUACPDWZFOFEEF-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+](CC(N)=O)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001391366235 900362726 /nfs/dbraw/zinc/36/27/26/900362726.db2.gz SJWWCLMODURPJD-UHFFFAOYSA-N 2 0 296.415 -0.262 20 0 CBADRP CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001391697844 900434795 /nfs/dbraw/zinc/43/47/95/900434795.db2.gz WLEZCOFLMZHCNU-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)C(=O)N(C)C ZINC001391726167 900439334 /nfs/dbraw/zinc/43/93/34/900439334.db2.gz VLIATKAESWKXIT-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001391860594 900453369 /nfs/dbraw/zinc/45/33/69/900453369.db2.gz GKHKEWUHVPZINR-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001391860596 900454523 /nfs/dbraw/zinc/45/45/23/900454523.db2.gz GKHKEWUHVPZINR-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001391945894 900469604 /nfs/dbraw/zinc/46/96/04/900469604.db2.gz MKICTYOMYYBXLP-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001391945892 900469976 /nfs/dbraw/zinc/46/99/76/900469976.db2.gz MKICTYOMYYBXLP-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001391967710 900476903 /nfs/dbraw/zinc/47/69/03/900476903.db2.gz POGUUXYRJNOITF-TZMCWYRMSA-N 2 0 298.431 -0.066 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)CCN(C)CC(N)=O)[NH+](C)C ZINC001392283099 900551849 /nfs/dbraw/zinc/55/18/49/900551849.db2.gz CNTZEEXZEXIBFD-LBPRGKRZSA-N 2 0 272.393 -0.552 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001392346094 900573588 /nfs/dbraw/zinc/57/35/88/900573588.db2.gz QAIWQADHSPSDNZ-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[N@H+](CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001392348339 900574648 /nfs/dbraw/zinc/57/46/48/900574648.db2.gz YBCNSXRVXHTVRX-AAEUAGOBSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001392394932 900601906 /nfs/dbraw/zinc/60/19/06/900601906.db2.gz RAUDKQYFHPUUIN-NEPJUHHUSA-N 2 0 273.377 -0.959 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001392494722 900638652 /nfs/dbraw/zinc/63/86/52/900638652.db2.gz YTSKYEHVTCVDQS-NEPJUHHUSA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001392505618 900641820 /nfs/dbraw/zinc/64/18/20/900641820.db2.gz RCVKHOYDSHSKPI-IJLUTSLNSA-N 2 0 286.420 -0.199 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001392523239 900649103 /nfs/dbraw/zinc/64/91/03/900649103.db2.gz BNXUXUYUKONTBE-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)CCC[NH+](C)C ZINC001392588956 900670377 /nfs/dbraw/zinc/67/03/77/900670377.db2.gz FOCJWEORKXVDSO-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001392589633 900670650 /nfs/dbraw/zinc/67/06/50/900670650.db2.gz AGCXQFORHQNIIU-AVGNSLFASA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@@H]([NH2+]C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1CC1)C(N)=O ZINC001392760985 900717716 /nfs/dbraw/zinc/71/77/16/900717716.db2.gz ALDDAWDATIBAAU-MFKMUULPSA-N 2 0 296.415 -0.171 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001392806524 900728129 /nfs/dbraw/zinc/72/81/29/900728129.db2.gz XUFNZLIHKSTZEK-YPMHNXCESA-N 2 0 296.415 -0.441 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001392791134 900728717 /nfs/dbraw/zinc/72/87/17/900728717.db2.gz DKNBVYBPNCMZID-YPMHNXCESA-N 2 0 296.415 -0.441 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001392796471 900728929 /nfs/dbraw/zinc/72/89/29/900728929.db2.gz DWYVFWARHSXXGO-JQWIXIFHSA-N 2 0 282.388 -0.702 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001392899188 900755475 /nfs/dbraw/zinc/75/54/75/900755475.db2.gz TVDICWQNCHUGGX-NSHDSACASA-N 2 0 282.388 -0.417 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001392940726 900765689 /nfs/dbraw/zinc/76/56/89/900765689.db2.gz KYXLEXYURUEIJS-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[C@@H](C(=O)NC1CN(C(=O)C[N@H+](C)C(C)C)C1)[NH+](C)C ZINC001456408682 914476141 /nfs/dbraw/zinc/47/61/41/914476141.db2.gz IZLMDSSJHHWJME-ZDUSSCGKSA-N 2 0 298.431 -0.006 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001456404341 914476666 /nfs/dbraw/zinc/47/66/66/914476666.db2.gz QAPKWPGUEXUIBN-DGCLKSJQSA-N 2 0 296.415 -0.395 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001393060615 900787102 /nfs/dbraw/zinc/78/71/02/900787102.db2.gz ZLNBHJNVRREQAY-NEPJUHHUSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001393060618 900790894 /nfs/dbraw/zinc/79/08/94/900790894.db2.gz ZLNBHJNVRREQAY-VXGBXAGGSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@H](O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001393219065 900804964 /nfs/dbraw/zinc/80/49/64/900804964.db2.gz AGXMLDMEAHMPOH-ZDUSSCGKSA-N 2 0 299.415 -0.282 20 0 CBADRP CC1CC[NH+](CC(=O)NC[C@]2(O)CC[N@H+](CCO)C2)CC1 ZINC001393268027 900822424 /nfs/dbraw/zinc/82/24/24/900822424.db2.gz IPPJPMIVNMDCOU-OAHLLOKOSA-N 2 0 299.415 -0.736 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001393380706 900849006 /nfs/dbraw/zinc/84/90/06/900849006.db2.gz FGBOVVWWXPORJH-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP COC[C@H](C)[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001393469324 900864121 /nfs/dbraw/zinc/86/41/21/900864121.db2.gz ZGCCIHAECLNXEE-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP C[N@H+](CC(=O)NCC1([NH2+]CC(N)=O)CCC1)C1CCC1 ZINC001393541676 900872018 /nfs/dbraw/zinc/87/20/18/900872018.db2.gz ACRIULRVJIJWOK-UHFFFAOYSA-N 2 0 282.388 -0.416 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001393594626 900882562 /nfs/dbraw/zinc/88/25/62/900882562.db2.gz KJSGIZCFLKUFSO-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H](O)C[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001393700903 900896092 /nfs/dbraw/zinc/89/60/92/900896092.db2.gz APZWIGOHNOAWRD-OLZOCXBDSA-N 2 0 299.415 -0.284 20 0 CBADRP CNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001393734552 900900552 /nfs/dbraw/zinc/90/05/52/900900552.db2.gz LSBNJNYSFBLXNV-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]([NH2+]CC1CC(NC(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001393906855 900930409 /nfs/dbraw/zinc/93/04/09/900930409.db2.gz RZDBMXJKMDOACZ-VOMCLLRMSA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1cnnn1C ZINC001393968951 900943443 /nfs/dbraw/zinc/94/34/43/900943443.db2.gz JJPMSNFJLVXGDK-GHMZBOCLSA-N 2 0 282.392 -0.250 20 0 CBADRP CN(C(=O)CC[NH+](C)C)C1CCC([NH2+]CC(N)=O)CC1 ZINC001393999520 900948474 /nfs/dbraw/zinc/94/84/74/900948474.db2.gz PMNFOOZRNWEYPC-UHFFFAOYSA-N 2 0 284.404 -0.217 20 0 CBADRP COC[C@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001394341021 901016385 /nfs/dbraw/zinc/01/63/85/901016385.db2.gz OUIWMPVZMAMOBI-SYQHCUMBSA-N 2 0 299.415 -0.761 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001394375568 901019059 /nfs/dbraw/zinc/01/90/59/901019059.db2.gz KVPTULSZWWCJQJ-LPWJVIDDSA-N 2 0 296.415 -0.301 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001394370601 901020787 /nfs/dbraw/zinc/02/07/87/901020787.db2.gz SBFLECUOMMIWBW-UMSPYCQHSA-N 2 0 282.388 -0.702 20 0 CBADRP CNC(=O)C[NH2+][C@H](CCNC(=O)C[NH+]1CCCC1)C(C)C ZINC001394413543 901023582 /nfs/dbraw/zinc/02/35/82/901023582.db2.gz TVLJMHRVXKJXMP-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001394381207 901023634 /nfs/dbraw/zinc/02/36/34/901023634.db2.gz MINPXEJWZNVFGD-XDQVBPFNSA-N 2 0 299.415 -0.570 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001394438387 901028029 /nfs/dbraw/zinc/02/80/29/901028029.db2.gz DXEFGRWFAFTLCO-YPMHNXCESA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001394527628 901041801 /nfs/dbraw/zinc/04/18/01/901041801.db2.gz KIPCVMLJYOAXOA-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1cnnn1C ZINC001394519975 901043696 /nfs/dbraw/zinc/04/36/96/901043696.db2.gz NHFIQQWKTONRMN-NSHDSACASA-N 2 0 282.392 -0.297 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001394536655 901045686 /nfs/dbraw/zinc/04/56/86/901045686.db2.gz JQEWBMAXZBJOJP-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001394552592 901046704 /nfs/dbraw/zinc/04/67/04/901046704.db2.gz IAWDOYOQRFPELG-STQMWFEESA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001394611476 901086635 /nfs/dbraw/zinc/08/66/35/901086635.db2.gz GWLZZSYXVBJHIU-QWHCGFSZSA-N 2 0 299.415 -0.690 20 0 CBADRP Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)cn1 ZINC001394616680 901091325 /nfs/dbraw/zinc/09/13/25/901091325.db2.gz NPNJYBWSVVPMEL-QWHCGFSZSA-N 2 0 295.387 -0.919 20 0 CBADRP Cc1cncc(C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)c1 ZINC001394621614 901093958 /nfs/dbraw/zinc/09/39/58/901093958.db2.gz PIALIZQXRBWDIO-CQSZACIVSA-N 2 0 294.399 -0.092 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001394622943 901098087 /nfs/dbraw/zinc/09/80/87/901098087.db2.gz YXDPJSMCCSXBFR-VXGBXAGGSA-N 2 0 287.404 -0.692 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001394662401 901113551 /nfs/dbraw/zinc/11/35/51/901113551.db2.gz MKQVZGYMLAQQEX-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001394679314 901116996 /nfs/dbraw/zinc/11/69/96/901116996.db2.gz PQCRLSIOCYLVCY-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001394762633 901144198 /nfs/dbraw/zinc/14/41/98/901144198.db2.gz PYVGYHKETUVENG-WCQYABFASA-N 2 0 287.404 -0.882 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001394808649 901159319 /nfs/dbraw/zinc/15/93/19/901159319.db2.gz CNEPUOWMZFEZSV-GHMZBOCLSA-N 2 0 284.404 -0.314 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001394792078 901159237 /nfs/dbraw/zinc/15/92/37/901159237.db2.gz MQEWQOWUTGHZFA-ZDUSSCGKSA-N 2 0 287.404 -0.520 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]CC(=O)NC)C1 ZINC001394863873 901166139 /nfs/dbraw/zinc/16/61/39/901166139.db2.gz XEVXSRYNISFQEC-UHFFFAOYSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001395172933 901184724 /nfs/dbraw/zinc/18/47/24/901184724.db2.gz SWGMRDHQCIVXCE-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001396939380 901348764 /nfs/dbraw/zinc/34/87/64/901348764.db2.gz OGFGZXYEVNKQHF-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001397079834 901361910 /nfs/dbraw/zinc/36/19/10/901361910.db2.gz PEABLVKMFZDREP-FRRDWIJNSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001397079844 901362400 /nfs/dbraw/zinc/36/24/00/901362400.db2.gz PEABLVKMFZDREP-XQQFMLRXSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001397130804 901367448 /nfs/dbraw/zinc/36/74/48/901367448.db2.gz NNAFBGXCCHYQAJ-AVGNSLFASA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001397131439 901367710 /nfs/dbraw/zinc/36/77/10/901367710.db2.gz QPHUAXMARDZPIE-IJLUTSLNSA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001397444052 901412447 /nfs/dbraw/zinc/41/24/47/901412447.db2.gz KJJZLCBAYMPXPI-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001397602633 901435743 /nfs/dbraw/zinc/43/57/43/901435743.db2.gz FFZPKADGAQJQEQ-XQQFMLRXSA-N 2 0 296.415 -0.299 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001397666803 901444519 /nfs/dbraw/zinc/44/45/19/901444519.db2.gz AJMAYUUSFICDBH-JOCQHMNTSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001397924996 901478421 /nfs/dbraw/zinc/47/84/21/901478421.db2.gz AHYHKHXEKUTBEA-CHWSQXEVSA-N 2 0 296.415 -0.536 20 0 CBADRP CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CCC[NH+]1C ZINC001397930458 901479806 /nfs/dbraw/zinc/47/98/06/901479806.db2.gz WHTNRVJYXMVGDZ-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+]1CCC(C(=O)NCCN2CC[NH+](CCO)CC2)CC1 ZINC001398282120 901517300 /nfs/dbraw/zinc/51/73/00/901517300.db2.gz WFHILVLIMPPDMH-UHFFFAOYSA-N 2 0 298.431 -0.946 20 0 CBADRP C[C@@H]([NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1)C(N)=O ZINC001398436111 901536288 /nfs/dbraw/zinc/53/62/88/901536288.db2.gz MBUXLAODFCXDQX-PWSUYJOCSA-N 2 0 296.415 -0.314 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001398535664 901549385 /nfs/dbraw/zinc/54/93/85/901549385.db2.gz UJIQJVLIJAJZMW-FDYHWXHSSA-N 2 0 296.415 -0.301 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001398535152 901551115 /nfs/dbraw/zinc/55/11/15/901551115.db2.gz XXZLJPJVGMRWFY-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001398573467 901564670 /nfs/dbraw/zinc/56/46/70/901564670.db2.gz NPYBFNAYNTZTHE-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)C1)[NH+](C)C ZINC001398617967 901574852 /nfs/dbraw/zinc/57/48/52/901574852.db2.gz WSIKZGSVDNUWHP-NTZNESFSSA-N 2 0 294.403 -0.108 20 0 CBADRP CC[C@H](C(=O)NC1CN(C(=O)C[N@H+](C)C(C)C)C1)[NH+](C)C ZINC001398634133 901579778 /nfs/dbraw/zinc/57/97/78/901579778.db2.gz IZLMDSSJHHWJME-CYBMUJFWSA-N 2 0 298.431 -0.006 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001398665386 901585510 /nfs/dbraw/zinc/58/55/10/901585510.db2.gz LCORCVYAQLILSO-TUAOUCFPSA-N 2 0 282.388 -0.548 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)[NH+](C)C ZINC001398673328 901588327 /nfs/dbraw/zinc/58/83/27/901588327.db2.gz UCXUXUHMRBDHOY-QNWHQSFQSA-N 2 0 296.415 -0.302 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NCC1CC1 ZINC001398889665 901622051 /nfs/dbraw/zinc/62/20/51/901622051.db2.gz SVMUYVTVKNPBIS-WCQYABFASA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)[NH2+]CCO ZINC001398918965 901631243 /nfs/dbraw/zinc/63/12/43/901631243.db2.gz JLFSMHATXYYEIY-NSHDSACASA-N 2 0 283.376 -0.855 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)N(C)C ZINC001398920773 901632328 /nfs/dbraw/zinc/63/23/28/901632328.db2.gz LUIBOOGTSZGONU-QJPTWQEYSA-N 2 0 284.404 -0.491 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001398961257 901642821 /nfs/dbraw/zinc/64/28/21/901642821.db2.gz RGASNZSQQNZGPB-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP Cc1nc(C)n(CC[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)n1 ZINC001399012177 901647309 /nfs/dbraw/zinc/64/73/09/901647309.db2.gz FASVDBJQOYVLOR-LLVKDONJSA-N 2 0 296.419 -0.059 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCN1CCCC1=O ZINC001399013410 901649442 /nfs/dbraw/zinc/64/94/42/901649442.db2.gz HMNIGZPGVMYTMF-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001399037574 901654847 /nfs/dbraw/zinc/65/48/47/901654847.db2.gz SMCBUHAFDQOHFE-WOPDTQHZSA-N 2 0 284.404 -0.443 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001399098394 901665927 /nfs/dbraw/zinc/66/59/27/901665927.db2.gz LMAVJRRSWUPUNN-WCQYABFASA-N 2 0 286.420 -0.197 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001399188170 901680249 /nfs/dbraw/zinc/68/02/49/901680249.db2.gz XXICFTHBMTVJGK-YPMHNXCESA-N 2 0 296.415 -0.204 20 0 CBADRP CN1CCC[C@H]([NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001399187762 901681886 /nfs/dbraw/zinc/68/18/86/901681886.db2.gz VJCMKASXWQNWPJ-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001399217658 901683465 /nfs/dbraw/zinc/68/34/65/901683465.db2.gz FTHSJXXDPSCMAE-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001399250930 901688723 /nfs/dbraw/zinc/68/87/23/901688723.db2.gz YUHHVKFZGABCHA-NWDGAFQWSA-N 2 0 282.388 -0.878 20 0 CBADRP Cn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001399251089 901689335 /nfs/dbraw/zinc/68/93/35/901689335.db2.gz YTLOPJHNPWPKJA-LBPRGKRZSA-N 2 0 294.403 -0.295 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC001399273153 901690702 /nfs/dbraw/zinc/69/07/02/901690702.db2.gz NJFZYFLSLJVESX-NEPJUHHUSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001457347807 914557619 /nfs/dbraw/zinc/55/76/19/914557619.db2.gz XUIBTJVBHOOPOL-STQMWFEESA-N 2 0 298.431 -0.242 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001399380183 901705281 /nfs/dbraw/zinc/70/52/81/901705281.db2.gz WAXGFGZMBNWBFL-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC1CC1 ZINC001399427135 901712305 /nfs/dbraw/zinc/71/23/05/901712305.db2.gz IZROSFGHRKAZKL-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CCn1cncn1 ZINC001399563471 901749648 /nfs/dbraw/zinc/74/96/48/901749648.db2.gz VMSSCQQFRBVTJU-ZDUSSCGKSA-N 2 0 294.403 -0.190 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001399942073 901839562 /nfs/dbraw/zinc/83/95/62/901839562.db2.gz XKWXTYWFFHGNNE-QWRGUYRKSA-N 2 0 270.377 -0.750 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001399958360 901847030 /nfs/dbraw/zinc/84/70/30/901847030.db2.gz XDUDTPBHROOWEW-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001400015390 901855141 /nfs/dbraw/zinc/85/51/41/901855141.db2.gz DXOZYCVZVQMQGF-FRRDWIJNSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C(N)=O ZINC001400040791 901858064 /nfs/dbraw/zinc/85/80/64/901858064.db2.gz OUESALRCTOPYIP-VXGBXAGGSA-N 2 0 286.420 -0.116 20 0 CBADRP CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001400048361 901861824 /nfs/dbraw/zinc/86/18/24/901861824.db2.gz HKTFJPCNKSCABP-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001400104750 901877252 /nfs/dbraw/zinc/87/72/52/901877252.db2.gz KEDZMOPKSGQABX-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NC)C1)[NH+](C)C ZINC001400229771 901899007 /nfs/dbraw/zinc/89/90/07/901899007.db2.gz WJBYHORUBSVHDC-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP COC[C@@H](O)C[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001400524916 901961246 /nfs/dbraw/zinc/96/12/46/901961246.db2.gz KFIQZNHGBIVYAR-ZDUSSCGKSA-N 2 0 299.415 -0.617 20 0 CBADRP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CC(=O)NC ZINC001400807629 902021240 /nfs/dbraw/zinc/02/12/40/902021240.db2.gz YSURXNJMYVYCBQ-FRRDWIJNSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)NC ZINC001400873374 902034044 /nfs/dbraw/zinc/03/40/44/902034044.db2.gz ZRXHHPCGBJMFIY-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001401114943 902056674 /nfs/dbraw/zinc/05/66/74/902056674.db2.gz IMPCOSMYKQVXKK-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001401114945 902058544 /nfs/dbraw/zinc/05/85/44/902058544.db2.gz IMPCOSMYKQVXKK-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]CC(N)=O ZINC001401129633 902060038 /nfs/dbraw/zinc/06/00/38/902060038.db2.gz QNMDDFKGTWSQDW-SRVKXCTJSA-N 2 0 284.404 -0.456 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1)C(N)=O ZINC001401189304 902076511 /nfs/dbraw/zinc/07/65/11/902076511.db2.gz PWEUCVLVSBFPAV-NEPJUHHUSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1)C(N)=O ZINC001401189308 902076980 /nfs/dbraw/zinc/07/69/80/902076980.db2.gz PWEUCVLVSBFPAV-RYUDHWBXSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001401246210 902092587 /nfs/dbraw/zinc/09/25/87/902092587.db2.gz XXYMMBOLEXYZEU-NEPJUHHUSA-N 2 0 286.420 -0.149 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)N(C)C(=O)C[NH+]1CCCC1 ZINC001401255597 902095551 /nfs/dbraw/zinc/09/55/51/902095551.db2.gz HKOHUXNHBHKBOL-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](CC)[NH+](C)C ZINC001401259946 902095606 /nfs/dbraw/zinc/09/56/06/902095606.db2.gz VQEGSYKKBRYYAO-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001401475854 902128424 /nfs/dbraw/zinc/12/84/24/902128424.db2.gz CIJIOCRFFVEDOW-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001401475825 902128570 /nfs/dbraw/zinc/12/85/70/902128570.db2.gz CIJIOCRFFVEDOW-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001401485739 902131343 /nfs/dbraw/zinc/13/13/43/902131343.db2.gz JLUJTJOXZYSWMM-GHMZBOCLSA-N 2 0 270.377 -0.702 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001401493235 902137689 /nfs/dbraw/zinc/13/76/89/902137689.db2.gz NRBNERWEFCEWCJ-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP Cc1cccnc1C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C ZINC001401558001 902166388 /nfs/dbraw/zinc/16/63/88/902166388.db2.gz PARFKGDWCFCMPD-ZDUSSCGKSA-N 2 0 294.399 -0.092 20 0 CBADRP C[C@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001401591223 902178225 /nfs/dbraw/zinc/17/82/25/902178225.db2.gz NONXZXVAZYKAIA-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)C1CC[NH+](C)CC1 ZINC001401603073 902185522 /nfs/dbraw/zinc/18/55/22/902185522.db2.gz SPGMSPOKUIWNQJ-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001401633425 902199300 /nfs/dbraw/zinc/19/93/00/902199300.db2.gz YJQCKUODEJPWBW-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001401630093 902201689 /nfs/dbraw/zinc/20/16/89/902201689.db2.gz AZPILDHLBFCGRC-DGCLKSJQSA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401641086 902206578 /nfs/dbraw/zinc/20/65/78/902206578.db2.gz STWVWTIDEGQLQK-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001401685266 902231001 /nfs/dbraw/zinc/23/10/01/902231001.db2.gz KIWMRNIHKVXEGT-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](C[N@H+](C)[C@@H]1CCN(C)C1=O)NC(=O)CCC[NH+](C)C ZINC001401783324 902269997 /nfs/dbraw/zinc/26/99/97/902269997.db2.gz LJGAOVZEYFWYKY-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCC(=O)NCC1([NH2+]CC(=O)NC2CC2)CC1 ZINC001401959815 902320813 /nfs/dbraw/zinc/32/08/13/902320813.db2.gz DUCKCUJXZIPDRL-UHFFFAOYSA-N 2 0 282.388 -0.545 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CC2)C1 ZINC001401979418 902332496 /nfs/dbraw/zinc/33/24/96/902332496.db2.gz PRNSHGLFUVZTOD-NEPJUHHUSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2([NH2+]CC(N)=O)CC2)C1 ZINC001401979424 902333410 /nfs/dbraw/zinc/33/34/10/902333410.db2.gz PRNSHGLFUVZTOD-NWDGAFQWSA-N 2 0 296.415 -0.170 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001402056614 902347157 /nfs/dbraw/zinc/34/71/57/902347157.db2.gz RVTXOCLYUXMLEG-BFHYXJOUSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@]1(O)CC[NH+](C[C@@H](C)O)C1 ZINC001402285923 902408586 /nfs/dbraw/zinc/40/85/86/902408586.db2.gz HYVCDHIYMKJJHH-TZMCWYRMSA-N 2 0 287.404 -0.738 20 0 CBADRP COCC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001402298116 902416894 /nfs/dbraw/zinc/41/68/94/902416894.db2.gz UHUNGFGXISVWCE-CQSZACIVSA-N 2 0 285.388 -0.718 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H]([NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001402370064 902439211 /nfs/dbraw/zinc/43/92/11/902439211.db2.gz XNMJTKVCMZVPRB-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001402424694 902444954 /nfs/dbraw/zinc/44/49/54/902444954.db2.gz TUUQGQPVIGQUCC-QWHCGFSZSA-N 2 0 298.431 -0.290 20 0 CBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001402423779 902444967 /nfs/dbraw/zinc/44/49/67/902444967.db2.gz ZFTPFQPUGAVQAZ-NWDGAFQWSA-N 2 0 282.388 -0.748 20 0 CBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001402423785 902445811 /nfs/dbraw/zinc/44/58/11/902445811.db2.gz ZFTPFQPUGAVQAZ-RYUDHWBXSA-N 2 0 282.388 -0.748 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)CC)C1)[NH+](C)C ZINC001402459408 902455177 /nfs/dbraw/zinc/45/51/77/902455177.db2.gz AOYLRSZFMBGTQS-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C1)[NH+](C)C ZINC001402463629 902461284 /nfs/dbraw/zinc/46/12/84/902461284.db2.gz SFQZECSTQFGHAV-STQMWFEESA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001402514271 902468113 /nfs/dbraw/zinc/46/81/13/902468113.db2.gz VRLZBPXMTXTMPM-FDYHWXHSSA-N 2 0 298.431 -0.056 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001402553067 902476529 /nfs/dbraw/zinc/47/65/29/902476529.db2.gz SMQODEUTUZOWGC-FDYHWXHSSA-N 2 0 296.415 -0.158 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001402553069 902478370 /nfs/dbraw/zinc/47/83/70/902478370.db2.gz SMQODEUTUZOWGC-WNGYAQOMSA-N 2 0 296.415 -0.158 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001402574673 902479973 /nfs/dbraw/zinc/47/99/73/902479973.db2.gz LOOQQDAASCOBQG-XQQFMLRXSA-N 2 0 296.415 -0.156 20 0 CBADRP CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001402561906 902480994 /nfs/dbraw/zinc/48/09/94/902480994.db2.gz MZCGWJCGLUIPLG-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001402601243 902486541 /nfs/dbraw/zinc/48/65/41/902486541.db2.gz DQTXIFMSVUHXCP-IGQOVBAYSA-N 2 0 299.415 -0.428 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)NC)[C@@H](C)C1 ZINC001402787927 902517854 /nfs/dbraw/zinc/51/78/54/902517854.db2.gz NWWFMPICECMMKC-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H](O)C[NH+]1CC(N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001402783896 902519115 /nfs/dbraw/zinc/51/91/15/902519115.db2.gz QIFDRTAIYMGEMQ-ZDUSSCGKSA-N 2 0 298.431 -0.853 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001402775680 902520119 /nfs/dbraw/zinc/52/01/19/902520119.db2.gz AYHUMBZNNKEOTE-QWRGUYRKSA-N 2 0 270.377 -0.750 20 0 CBADRP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+]CC(=O)N(C)C)C1 ZINC001402942311 902570442 /nfs/dbraw/zinc/57/04/42/902570442.db2.gz NALJQPOXLZNDDI-UHFFFAOYSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+]1CCC(C(=O)NC2CC(C[NH2+]CC(N)=O)C2)CC1 ZINC001402957123 902572180 /nfs/dbraw/zinc/57/21/80/902572180.db2.gz SBFLECUOMMIWBW-UHFFFAOYSA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001402995383 902588591 /nfs/dbraw/zinc/58/85/91/902588591.db2.gz GWIDKGJNOOXFHU-ZJUUUORDSA-N 2 0 270.377 -0.561 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001403032706 902597151 /nfs/dbraw/zinc/59/71/51/902597151.db2.gz JHGRJCFVOFIEMD-NWDGAFQWSA-N 2 0 286.420 -0.055 20 0 CBADRP CC[C@@H]([NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001403042222 902598932 /nfs/dbraw/zinc/59/89/32/902598932.db2.gz IOKLWPUTUWHHRS-ZYHUDNBSSA-N 2 0 284.404 -0.314 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCCNC1=O ZINC001403099316 902614363 /nfs/dbraw/zinc/61/43/63/902614363.db2.gz IZPZDGHWCQUDPJ-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001403216411 902650082 /nfs/dbraw/zinc/65/00/82/902650082.db2.gz DCYHTPWACQIEPL-LBPRGKRZSA-N 2 0 282.388 -0.639 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001403245284 902659178 /nfs/dbraw/zinc/65/91/78/902659178.db2.gz PGEUSIFTCZZBQJ-LBPRGKRZSA-N 2 0 284.404 -0.358 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001403241068 902659927 /nfs/dbraw/zinc/65/99/27/902659927.db2.gz CEJCEUFXYFSPIT-CHWSQXEVSA-N 2 0 281.400 -0.099 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001403282947 902663269 /nfs/dbraw/zinc/66/32/69/902663269.db2.gz VDSUHFIVUJWVNU-OLZOCXBDSA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1cnnn1C ZINC001403427429 902687903 /nfs/dbraw/zinc/68/79/03/902687903.db2.gz FQPWRKXKJBJRTC-NSHDSACASA-N 2 0 282.392 -0.249 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001403430474 902689483 /nfs/dbraw/zinc/68/94/83/902689483.db2.gz WFCZZCKKBCFMKX-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+][C@@H]1CCNC1=O ZINC001403435472 902689799 /nfs/dbraw/zinc/68/97/99/902689799.db2.gz SAQLYPXQIQSEDR-DGCLKSJQSA-N 2 0 296.415 -0.299 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001403460540 902695239 /nfs/dbraw/zinc/69/52/39/902695239.db2.gz DNBSRBDBHAICKT-OLZOCXBDSA-N 2 0 299.415 -0.426 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001403466595 902695375 /nfs/dbraw/zinc/69/53/75/902695375.db2.gz JWAAFJPACUSAPM-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001403534124 902716341 /nfs/dbraw/zinc/71/63/41/902716341.db2.gz UBFAQYIKDFIONV-NEPJUHHUSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)N(C)C ZINC001403581941 902739005 /nfs/dbraw/zinc/73/90/05/902739005.db2.gz HGIDIFSYSVZPAY-LBPRGKRZSA-N 2 0 298.431 -0.147 20 0 CBADRP CC(C)NC(=O)CN(C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001403742494 902833338 /nfs/dbraw/zinc/83/33/38/902833338.db2.gz ZUZVIRVACGSZFF-UHFFFAOYSA-N 2 0 296.415 -0.345 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001403750474 902839450 /nfs/dbraw/zinc/83/94/50/902839450.db2.gz RQGSBCZFEFWKTQ-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH+](C)CC1(C(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)CC1 ZINC001403805541 902851528 /nfs/dbraw/zinc/85/15/28/902851528.db2.gz LKGFZNSWLQQHEI-NSHDSACASA-N 2 0 296.415 -0.360 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]CC(N)=O)C2)CCC1 ZINC001403810285 902856048 /nfs/dbraw/zinc/85/60/48/902856048.db2.gz WVXZAYDZKNDGCN-RYUDHWBXSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC(N)=O)C2)CCC1 ZINC001403810272 902856362 /nfs/dbraw/zinc/85/63/62/902856362.db2.gz WVXZAYDZKNDGCN-NEPJUHHUSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001403817309 902856557 /nfs/dbraw/zinc/85/65/57/902856557.db2.gz PCDDSSROJGXBCP-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC(N)=O)C2)CCC1 ZINC001403810277 902857451 /nfs/dbraw/zinc/85/74/51/902857451.db2.gz WVXZAYDZKNDGCN-NWDGAFQWSA-N 2 0 296.415 -0.170 20 0 CBADRP CCN(CCNC(=O)C[NH+]1CCCC1)[C@H](C)C(=O)NC ZINC001403939995 902910859 /nfs/dbraw/zinc/91/08/59/902910859.db2.gz MVWCCGKXUPFQSQ-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CCN1CCO[C@@H](C(=O)NCC[N@H+](CC)C[C@H](C)O)C1 ZINC001403949910 902911870 /nfs/dbraw/zinc/91/18/70/902911870.db2.gz OMBYTDPTIFUDDQ-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCCNC1=O ZINC001403938324 902912454 /nfs/dbraw/zinc/91/24/54/902912454.db2.gz GVWPXYZVMYHSLH-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)CN1CCC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001404019227 902926068 /nfs/dbraw/zinc/92/60/68/902926068.db2.gz GKDVFFXHJNLRLS-LBPRGKRZSA-N 2 0 284.404 -0.347 20 0 CBADRP CCC[N@H+](CCNC(=O)CC[NH+](C)C)[C@@H]1CCN(C)C1=O ZINC001404150197 902945968 /nfs/dbraw/zinc/94/59/68/902945968.db2.gz OHWCCBZXYIATAY-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001404309869 902969522 /nfs/dbraw/zinc/96/95/22/902969522.db2.gz FETCZTSXOBCZKQ-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)C(N)=O ZINC001404309821 902970212 /nfs/dbraw/zinc/97/02/12/902970212.db2.gz FDGJUTKEYYCPAA-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+][C@H]1CCCN(C)C1=O)[NH+](C)C ZINC001404321942 902974017 /nfs/dbraw/zinc/97/40/17/902974017.db2.gz PAWWCGUNFAPTDZ-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)C[NH+]1CCCC1)C(=O)N(C)C ZINC001404329926 902974290 /nfs/dbraw/zinc/97/42/90/902974290.db2.gz PLRMBEZSGIZNML-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP NC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001404510320 902996019 /nfs/dbraw/zinc/99/60/19/902996019.db2.gz FDKVBXHWDCZYQX-GFCCVEGCSA-N 2 0 294.399 -0.604 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001458796907 914677524 /nfs/dbraw/zinc/67/75/24/914677524.db2.gz NKQMWVGXNXOSFA-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCCN([C@H](C)C(N)=O)C1 ZINC001404707928 903017076 /nfs/dbraw/zinc/01/70/76/903017076.db2.gz HNHSABRPJHWUDM-NEPJUHHUSA-N 2 0 284.404 -0.219 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)CC[NH+](C)C ZINC001458821040 914681297 /nfs/dbraw/zinc/68/12/97/914681297.db2.gz ZAWXZTINTAOASE-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cnnn1C ZINC001405298588 903141216 /nfs/dbraw/zinc/14/12/16/903141216.db2.gz WCBNJMNKYMAUBV-LLVKDONJSA-N 2 0 282.392 -0.249 20 0 CBADRP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001405332292 903147250 /nfs/dbraw/zinc/14/72/50/903147250.db2.gz HPWHPHQZYSDVNT-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CC(N)=O ZINC001405378543 903159916 /nfs/dbraw/zinc/15/99/16/903159916.db2.gz XNIQZCNBJSFPGG-GFCCVEGCSA-N 2 0 284.404 -0.168 20 0 CBADRP CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CC(N)=O ZINC001405378545 903160108 /nfs/dbraw/zinc/16/01/08/903160108.db2.gz XNIQZCNBJSFPGG-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001405701360 903205941 /nfs/dbraw/zinc/20/59/41/903205941.db2.gz XDJYTYIDAYEYQI-NSHDSACASA-N 2 0 284.404 -0.441 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001405723866 903207600 /nfs/dbraw/zinc/20/76/00/903207600.db2.gz VRTZPTROMLCGPV-NWDGAFQWSA-N 2 0 286.420 -0.197 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001405716097 903209042 /nfs/dbraw/zinc/20/90/42/903209042.db2.gz HVTHDSZLDJDQJP-GFCCVEGCSA-N 2 0 296.419 -0.003 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+][C@@H]1CCNC1=O ZINC001405736067 903210904 /nfs/dbraw/zinc/21/09/04/903210904.db2.gz QACKZSADGAKYIS-NWDGAFQWSA-N 2 0 294.399 -0.687 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001405849885 903238021 /nfs/dbraw/zinc/23/80/21/903238021.db2.gz OPKGHHDLRHULQE-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@H](C)C1 ZINC001405956468 903250203 /nfs/dbraw/zinc/25/02/03/903250203.db2.gz BFWFMYBTXPMBMV-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001406060635 903260306 /nfs/dbraw/zinc/26/03/06/903260306.db2.gz CLGINTDEQUGSLV-MNOVXSKESA-N 2 0 270.377 -0.846 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001406063930 903261101 /nfs/dbraw/zinc/26/11/01/903261101.db2.gz GNBSXQRJEHIPBB-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001406271600 903335929 /nfs/dbraw/zinc/33/59/29/903335929.db2.gz CUVLUOBMUZZWHJ-YPMHNXCESA-N 2 0 298.387 -0.110 20 0 CBADRP C[C@@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001406303880 903352178 /nfs/dbraw/zinc/35/21/78/903352178.db2.gz BLPAAJQXUJLTTA-WCQYABFASA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001406318530 903354627 /nfs/dbraw/zinc/35/46/27/903354627.db2.gz MFVFQZXMMXNOIV-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP CN(C(=O)C[NH+]1CCCC1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001459207466 914714202 /nfs/dbraw/zinc/71/42/02/914714202.db2.gz JLSSRBAHCLOBES-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001406495959 903418273 /nfs/dbraw/zinc/41/82/73/903418273.db2.gz PWJXJSFYZWIRGU-RYUDHWBXSA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001406561979 903433798 /nfs/dbraw/zinc/43/37/98/903433798.db2.gz ONBFDWOBWLBZIF-AAEUAGOBSA-N 2 0 296.415 -0.441 20 0 CBADRP CN(C(=O)CC[NH+](C)C)C1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001459278342 914718723 /nfs/dbraw/zinc/71/87/23/914718723.db2.gz ROZBDUDMUZGIAX-ZDUSSCGKSA-N 2 0 296.415 -0.299 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001406796012 903479490 /nfs/dbraw/zinc/47/94/90/903479490.db2.gz WKKQKKYOLDFTHG-STQMWFEESA-N 2 0 296.415 -0.441 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001406783438 903479911 /nfs/dbraw/zinc/47/99/11/903479911.db2.gz IMAHEZYMPODUQS-CHWSQXEVSA-N 2 0 294.399 -0.545 20 0 CBADRP C[NH+](C)CCCC(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001406960765 903518664 /nfs/dbraw/zinc/51/86/64/903518664.db2.gz OPPSBEUQILRMOG-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001407116219 903546452 /nfs/dbraw/zinc/54/64/52/903546452.db2.gz MMVCVZVYFCKCLW-GRYCIOLGSA-N 2 0 282.388 -0.608 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001407159302 903551814 /nfs/dbraw/zinc/55/18/14/903551814.db2.gz BELGTNHVYOUXLX-NFAWXSAZSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001407347241 903574157 /nfs/dbraw/zinc/57/41/57/903574157.db2.gz MJTSHZVWWCUTQU-SWLSCSKDSA-N 2 0 299.415 -0.596 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1(O)CN(C[C@@H]2CCOC2)C1 ZINC001407485297 903618967 /nfs/dbraw/zinc/61/89/67/903618967.db2.gz ZOBUITJKUUBWIH-ZDUSSCGKSA-N 2 0 299.415 -0.472 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001407537645 903624718 /nfs/dbraw/zinc/62/47/18/903624718.db2.gz HLXGWOSFHYKTNG-NWDGAFQWSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001407547595 903627695 /nfs/dbraw/zinc/62/76/95/903627695.db2.gz QPMYXHMYRIWHNJ-MNOVXSKESA-N 2 0 270.377 -0.750 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001407609657 903634549 /nfs/dbraw/zinc/63/45/49/903634549.db2.gz AFSJNOUZWQGDRW-CQSZACIVSA-N 2 0 287.404 -0.736 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001407816924 903662438 /nfs/dbraw/zinc/66/24/38/903662438.db2.gz CAPFPWVKLBNISK-UHFFFAOYSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001407934221 903679372 /nfs/dbraw/zinc/67/93/72/903679372.db2.gz ZXNPRNXDTIHLKY-GFCCVEGCSA-N 2 0 298.431 -0.018 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001408213046 903732929 /nfs/dbraw/zinc/73/29/29/903732929.db2.gz RTGASCTYCBETHK-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[NH+](CC)CC(=O)NCCN(C)C(=O)C[NH+]1CCCC1 ZINC001408577336 903790416 /nfs/dbraw/zinc/79/04/16/903790416.db2.gz PQCDESPJTHZHOL-UHFFFAOYSA-N 2 0 298.431 -0.001 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)CCNC(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001408678657 903803632 /nfs/dbraw/zinc/80/36/32/903803632.db2.gz BTSDUMCTSIKABA-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP CNC(=O)C[NH2+]CC1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001409274333 903873876 /nfs/dbraw/zinc/87/38/76/903873876.db2.gz GZFQRIUPRJPLLK-PNESKVBLSA-N 2 0 296.415 -0.441 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409384728 903894307 /nfs/dbraw/zinc/89/43/07/903894307.db2.gz HBEHQBGWHXEQMZ-MNOVXSKESA-N 2 0 284.404 -0.443 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001409425845 903904180 /nfs/dbraw/zinc/90/41/80/903904180.db2.gz LDASQBUQFKGEOC-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)[N@H+](C)CCO ZINC001409635470 903944742 /nfs/dbraw/zinc/94/47/42/903944742.db2.gz BGYMIFFQDWFMNN-GFCCVEGCSA-N 2 0 297.403 -0.513 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001409682737 903954219 /nfs/dbraw/zinc/95/42/19/903954219.db2.gz NSXIIRMMQDXZTG-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP COC[C@@H](O)C[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001409961779 903989745 /nfs/dbraw/zinc/98/97/45/903989745.db2.gz BVABIMJESNJZPA-JSGCOSHPSA-N 2 0 299.415 -0.474 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001410183550 904038309 /nfs/dbraw/zinc/03/83/09/904038309.db2.gz SQAZSXANRKDHMY-RAIGVLPGSA-N 2 0 294.399 -0.702 20 0 CBADRP C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC(N)=O ZINC001410368367 904081456 /nfs/dbraw/zinc/08/14/56/904081456.db2.gz BEQLIXFCYROKKO-PWSUYJOCSA-N 2 0 282.388 -0.750 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CC[NH+](C)C ZINC001410463714 904105271 /nfs/dbraw/zinc/10/52/71/904105271.db2.gz ZFOVQOOSVMHZMS-YNEHKIRRSA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)C(N)=O ZINC001410526857 904113074 /nfs/dbraw/zinc/11/30/74/904113074.db2.gz XUOYZWSQLFPNFI-WDEREUQCSA-N 2 0 272.393 -0.363 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001410618118 904143269 /nfs/dbraw/zinc/14/32/69/904143269.db2.gz GVRCFPINJQMITA-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]1CNC(=O)CC[NH+](C)C)[NH+](C)C ZINC001410655790 904153555 /nfs/dbraw/zinc/15/35/55/904153555.db2.gz ZEXYOPVYHNBGKP-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]C[C@H]2CCOC2)CC1 ZINC001410735311 904176903 /nfs/dbraw/zinc/17/69/03/904176903.db2.gz SBQALJBIBYGKBM-OCCSQVGLSA-N 2 0 299.415 -0.569 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]C[C@@H]2CCOC2)CC1 ZINC001410735304 904177158 /nfs/dbraw/zinc/17/71/58/904177158.db2.gz SBQALJBIBYGKBM-GXTWGEPZSA-N 2 0 299.415 -0.569 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001410993229 904218947 /nfs/dbraw/zinc/21/89/47/904218947.db2.gz SRLBOHSWHZSLBL-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001410993267 904219144 /nfs/dbraw/zinc/21/91/44/904219144.db2.gz SRLBOHSWHZSLBL-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001411042746 904228280 /nfs/dbraw/zinc/22/82/80/904228280.db2.gz LXWUMPZKAAEDQH-WCQYABFASA-N 2 0 287.404 -0.740 20 0 CBADRP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC001412835619 904749495 /nfs/dbraw/zinc/74/94/95/904749495.db2.gz FLVABWHUHQMBTM-ZFWWWQNUSA-N 2 0 298.431 -0.805 20 0 CBADRP C[C@H](C[NH2+]Cc1cnnn1C)CN1CC[NH+](C)CC1 ZINC001461174676 914851165 /nfs/dbraw/zinc/85/11/65/914851165.db2.gz VPDNDPNRKCZGOF-GFCCVEGCSA-N 2 0 266.393 -0.212 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001413844366 905231513 /nfs/dbraw/zinc/23/15/13/905231513.db2.gz CBASWZBEXDYBHO-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001413844382 905233583 /nfs/dbraw/zinc/23/35/83/905233583.db2.gz CBASWZBEXDYBHO-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP COc1c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cnn1C ZINC001413846443 905236180 /nfs/dbraw/zinc/23/61/80/905236180.db2.gz IFDUXZJPPXEJGM-UHFFFAOYSA-N 2 0 297.403 -0.006 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001414775402 905516517 /nfs/dbraw/zinc/51/65/17/905516517.db2.gz KVCVHUMIMCIIAE-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)NC(=O)CC[NH+](C)C ZINC001415166377 905572212 /nfs/dbraw/zinc/57/22/12/905572212.db2.gz MFPMKHYCMIAKCT-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[C@@H](C(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001416030292 905694367 /nfs/dbraw/zinc/69/43/67/905694367.db2.gz UFVGMKOSDLAEOW-STQMWFEESA-N 2 0 296.415 -0.252 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001417781545 906051089 /nfs/dbraw/zinc/05/10/89/906051089.db2.gz RCCDOZNCXDJAAF-UPJWGTAASA-N 2 0 296.415 -0.489 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001417801379 906058457 /nfs/dbraw/zinc/05/84/57/906058457.db2.gz XZPYVNLXYUZOQZ-JHJVBQTASA-N 2 0 294.399 -0.545 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCN2CCN(CCF)CC2)C1 ZINC001417928706 906110331 /nfs/dbraw/zinc/11/03/31/906110331.db2.gz LTAHOJVVALERLZ-CYBMUJFWSA-N 2 0 286.395 -0.359 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001418046026 906145855 /nfs/dbraw/zinc/14/58/55/906145855.db2.gz RBFQWTWXCCDJTA-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001418062971 906154329 /nfs/dbraw/zinc/15/43/29/906154329.db2.gz CJKWGHLUTNGSEX-SRVKXCTJSA-N 2 0 294.399 -0.547 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001418067367 906155060 /nfs/dbraw/zinc/15/50/60/906155060.db2.gz ZCECHJDIBDVJQJ-DDHJBXDOSA-N 2 0 282.388 -0.548 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001418090366 906164999 /nfs/dbraw/zinc/16/49/99/906164999.db2.gz XHNUSVMJLVKEHP-GRYCIOLGSA-N 2 0 282.388 -0.547 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001418100283 906168878 /nfs/dbraw/zinc/16/88/78/906168878.db2.gz XHHFBCMQAYCJRJ-TXEJJXNPSA-N 2 0 294.399 -0.402 20 0 CBADRP Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)[nH]1 ZINC001418105366 906172403 /nfs/dbraw/zinc/17/24/03/906172403.db2.gz RIKDOEFMKAPHGK-PHIMTYICSA-N 2 0 280.376 -0.198 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001418106100 906173339 /nfs/dbraw/zinc/17/33/39/906173339.db2.gz BNFOFHLIOZECEP-BETUJISGSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001418267829 906246938 /nfs/dbraw/zinc/24/69/38/906246938.db2.gz SXKJEXFBGRMDBJ-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP CCC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001418296909 906266942 /nfs/dbraw/zinc/26/69/42/906266942.db2.gz CHTPHZGXSNRAGC-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]C[C@H](C)O ZINC001418302557 906269290 /nfs/dbraw/zinc/26/92/90/906269290.db2.gz JVUUKYNJYLRSGB-NEPJUHHUSA-N 2 0 287.404 -0.428 20 0 CBADRP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001418320722 906278983 /nfs/dbraw/zinc/27/89/83/906278983.db2.gz VXHJQGGGQXAWRQ-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001418314125 906279060 /nfs/dbraw/zinc/27/90/60/906279060.db2.gz RGYDKIOAFOJCOK-MNOVXSKESA-N 2 0 272.393 -0.445 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001418314911 906279797 /nfs/dbraw/zinc/27/97/97/906279797.db2.gz VMMNCTHZGOIRJQ-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001418330620 906282889 /nfs/dbraw/zinc/28/28/89/906282889.db2.gz QSKUYTDSZGCNBR-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC(N)=O ZINC001418414683 906310979 /nfs/dbraw/zinc/31/09/79/906310979.db2.gz KITNRBUSJSHSBF-NSHDSACASA-N 2 0 286.420 -0.066 20 0 CBADRP C[C@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC(N)=O ZINC001418414679 906311239 /nfs/dbraw/zinc/31/12/39/906311239.db2.gz KITNRBUSJSHSBF-LLVKDONJSA-N 2 0 286.420 -0.066 20 0 CBADRP C[C@@H](CCNC(=O)Cc1ncc[nH]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001418432382 906319422 /nfs/dbraw/zinc/31/94/22/906319422.db2.gz XCEJUNBBQYTMLV-QWRGUYRKSA-N 2 0 295.387 -0.087 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001418432247 906320134 /nfs/dbraw/zinc/32/01/34/906320134.db2.gz HZHGAFHSNQORND-MNOVXSKESA-N 2 0 270.377 -0.832 20 0 CBADRP C[C@H](C(N)=O)N(C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001418471967 906351253 /nfs/dbraw/zinc/35/12/53/906351253.db2.gz XEJZOYBURRURAH-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP COC[C@H](O)C[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001418494247 906365320 /nfs/dbraw/zinc/36/53/20/906365320.db2.gz MFVUHFZIIFVUBW-CYBMUJFWSA-N 2 0 287.404 -0.617 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001418629635 906434488 /nfs/dbraw/zinc/43/44/88/906434488.db2.gz KPAGODZNURUSFH-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001418674535 906441886 /nfs/dbraw/zinc/44/18/86/906441886.db2.gz NBECXNFZYCJEBL-STQMWFEESA-N 2 0 287.404 -0.617 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001418691380 906450502 /nfs/dbraw/zinc/45/05/02/906450502.db2.gz ALIDVPVBSPUORG-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H](C)C(N)=O ZINC001418728019 906459815 /nfs/dbraw/zinc/45/98/15/906459815.db2.gz CKHPTIGQPFPFAV-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001418813216 906485790 /nfs/dbraw/zinc/48/57/90/906485790.db2.gz VAALKZVFFKBJQC-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001418825946 906487933 /nfs/dbraw/zinc/48/79/33/906487933.db2.gz IKJBGMBRCPQHTR-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001418832113 906488504 /nfs/dbraw/zinc/48/85/04/906488504.db2.gz RCZJYOTZSNSEIT-NEPJUHHUSA-N 2 0 286.420 -0.149 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001418831910 906490428 /nfs/dbraw/zinc/49/04/28/906490428.db2.gz PQXBKZQZNHPPMV-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001418821636 906490977 /nfs/dbraw/zinc/49/09/77/906490977.db2.gz RRVFYNKIJIUALT-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001418836233 906495560 /nfs/dbraw/zinc/49/55/60/906495560.db2.gz YHLTXGKCENAMAZ-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CN(C(=O)CC[NH+](C)C)[C@@H]1CCN(CC(=O)NC2CC2)C1 ZINC001419121532 906600210 /nfs/dbraw/zinc/60/02/10/906600210.db2.gz LWFYADHUAOTUOW-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cnnn1C ZINC001419176140 906628018 /nfs/dbraw/zinc/62/80/18/906628018.db2.gz HWGFUSUQFZFMIM-YPMHNXCESA-N 2 0 294.403 -0.106 20 0 CBADRP CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H]1CCNC1=O ZINC001419218204 906640533 /nfs/dbraw/zinc/64/05/33/906640533.db2.gz GWCYWPQHPVODBR-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC(N)=O ZINC001419236882 906644004 /nfs/dbraw/zinc/64/40/04/906644004.db2.gz OBDBNRWBICUBCB-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001419287330 906658963 /nfs/dbraw/zinc/65/89/63/906658963.db2.gz NPLLLZOTMTUVPL-ZDUSSCGKSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H]([NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1)C(N)=O ZINC001419324055 906661581 /nfs/dbraw/zinc/66/15/81/906661581.db2.gz XDSKAZFSEGYIJI-GFCCVEGCSA-N 2 0 296.415 -0.025 20 0 CBADRP CC[C@@H](C(=O)N[C@](C)(C[NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001419337410 906666063 /nfs/dbraw/zinc/66/60/63/906666063.db2.gz BLYJEEKTBXPLDQ-SMDDNHRTSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1)C(N)=O ZINC001419385446 906672568 /nfs/dbraw/zinc/67/25/68/906672568.db2.gz NFQJVAZWLXMVBN-IJLUTSLNSA-N 2 0 284.404 -0.171 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001419414860 906683226 /nfs/dbraw/zinc/68/32/26/906683226.db2.gz CNXZMSZEEKFUJX-HAQNSBGRSA-N 2 0 284.404 -0.347 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001419418721 906683444 /nfs/dbraw/zinc/68/34/44/906683444.db2.gz XTBJBHNMAFDZLE-HAQNSBGRSA-N 2 0 296.415 -0.204 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001419423595 906686626 /nfs/dbraw/zinc/68/66/26/906686626.db2.gz NTUYYKKIPZANQF-IJLUTSLNSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001419498555 906704458 /nfs/dbraw/zinc/70/44/58/906704458.db2.gz GSGDEZWCPHWDKL-GRYCIOLGSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]CC(=O)N(C)C ZINC001419490126 906705200 /nfs/dbraw/zinc/70/52/00/906705200.db2.gz YFRGUXYMZGWPEW-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001419498559 906705249 /nfs/dbraw/zinc/70/52/49/906705249.db2.gz GSGDEZWCPHWDKL-TUAOUCFPSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001419680294 906763663 /nfs/dbraw/zinc/76/36/63/906763663.db2.gz FSSADUPVGBVBKT-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)CCC[NH+](C)C ZINC001419693994 906771476 /nfs/dbraw/zinc/77/14/76/906771476.db2.gz AEFMLSOLEGPWNU-QWRGUYRKSA-N 2 0 272.393 -0.362 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCCN(C)C1=O)N(C)C(=O)CC[NH+](C)C ZINC001419702687 906774138 /nfs/dbraw/zinc/77/41/38/906774138.db2.gz CHUOWFCKMUMBCN-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCn1cncn1 ZINC001419765936 906807354 /nfs/dbraw/zinc/80/73/54/906807354.db2.gz AJSRXYIOJPMFID-QWHCGFSZSA-N 2 0 294.403 -0.143 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001419755509 906807902 /nfs/dbraw/zinc/80/79/02/906807902.db2.gz QYHLYXHDXPGSHM-WCQYABFASA-N 2 0 286.420 -0.245 20 0 CBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H]1CCNC1=O ZINC001419780603 906812798 /nfs/dbraw/zinc/81/27/98/906812798.db2.gz VJEHFFKCFBFZJY-WDEREUQCSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001419775630 906813234 /nfs/dbraw/zinc/81/32/34/906813234.db2.gz QEBVVQPUPAYIFK-CMPLNLGQSA-N 2 0 282.392 -0.250 20 0 CBADRP CC[C@@H]([NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001419843865 906830689 /nfs/dbraw/zinc/83/06/89/906830689.db2.gz UYFBDXJINIIUAT-GHMZBOCLSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@@H]([NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001419843901 906833026 /nfs/dbraw/zinc/83/30/26/906833026.db2.gz UYFBDXJINIIUAT-WDEREUQCSA-N 2 0 284.404 -0.314 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001419848571 906833414 /nfs/dbraw/zinc/83/34/14/906833414.db2.gz JQIGSPMCXPRKIY-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001419836567 906834453 /nfs/dbraw/zinc/83/44/53/906834453.db2.gz JCDAALZEIUWYKE-DGCLKSJQSA-N 2 0 286.420 -0.245 20 0 CBADRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+][C@@H](C)C(N)=O ZINC001419857482 906837127 /nfs/dbraw/zinc/83/71/27/906837127.db2.gz YFQGBSAVIMMOSC-QWRGUYRKSA-N 2 0 286.420 -0.068 20 0 CBADRP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001419890338 906850375 /nfs/dbraw/zinc/85/03/75/906850375.db2.gz ATGNTXROJICWTM-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001419905262 906854303 /nfs/dbraw/zinc/85/43/03/906854303.db2.gz QUMWITBUHYYBRA-MNOVXSKESA-N 2 0 282.388 -0.689 20 0 CBADRP CC(C)[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC(N)=O ZINC001419926942 906860232 /nfs/dbraw/zinc/86/02/32/906860232.db2.gz ZINAKENVDTZFQX-CYBMUJFWSA-N 2 0 298.431 -0.066 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001419957583 906874461 /nfs/dbraw/zinc/87/44/61/906874461.db2.gz JAPQDLCCTQSKRK-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP C[N@H+](CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001419990529 906888628 /nfs/dbraw/zinc/88/86/28/906888628.db2.gz JTNUYBGCBNYNNG-LBPRGKRZSA-N 2 0 298.431 -0.112 20 0 CBADRP C[N@H+](CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001419990526 906888869 /nfs/dbraw/zinc/88/88/69/906888869.db2.gz JTNUYBGCBNYNNG-GFCCVEGCSA-N 2 0 298.431 -0.112 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419992835 906889375 /nfs/dbraw/zinc/88/93/75/906889375.db2.gz NKFXZRSAVXDDAZ-GFCCVEGCSA-N 2 0 296.415 -0.488 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001420005464 906893702 /nfs/dbraw/zinc/89/37/02/906893702.db2.gz GQCRRDVADIUDFP-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001420016890 906900558 /nfs/dbraw/zinc/90/05/58/906900558.db2.gz IJQIJCLYZADNPX-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001420085341 906923512 /nfs/dbraw/zinc/92/35/12/906923512.db2.gz NNTLUFISYULBRS-NEPJUHHUSA-N 2 0 282.388 -0.558 20 0 CBADRP CC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001420155420 906974217 /nfs/dbraw/zinc/97/42/17/906974217.db2.gz OUKLDZSXHUUZMN-GFCCVEGCSA-N 2 0 287.404 -0.569 20 0 CBADRP CC[C@@H](F)C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001420189361 907001023 /nfs/dbraw/zinc/00/10/23/907001023.db2.gz JAOSDYGOMFGBCH-VXGBXAGGSA-N 2 0 275.368 -0.103 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccns2)C1 ZINC001420187527 907002056 /nfs/dbraw/zinc/00/20/56/907002056.db2.gz FQUXOWIMQRZTHO-WDEREUQCSA-N 2 0 298.412 -0.339 20 0 CBADRP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C(C)C)on1 ZINC001420206481 907013767 /nfs/dbraw/zinc/01/37/67/907013767.db2.gz AZFCISHJLKJHLP-LBPRGKRZSA-N 2 0 298.387 -0.110 20 0 CBADRP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C(C)C)on1 ZINC001420206479 907016518 /nfs/dbraw/zinc/01/65/18/907016518.db2.gz AZFCISHJLKJHLP-GFCCVEGCSA-N 2 0 298.387 -0.110 20 0 CBADRP CCC[N@H+](C)CC(=O)N(CC)CC[NH2+][C@H]1CCNC1=O ZINC001420246116 907042461 /nfs/dbraw/zinc/04/24/61/907042461.db2.gz RJKPGEHPQUZXMV-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP COC[C@H](O)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001420297752 907080004 /nfs/dbraw/zinc/08/00/04/907080004.db2.gz VXCBJAPJSOXYPC-CHWSQXEVSA-N 2 0 287.404 -0.617 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001420299348 907083202 /nfs/dbraw/zinc/08/32/02/907083202.db2.gz NQLRQBZYCHPIPV-MNOVXSKESA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001420298002 907087553 /nfs/dbraw/zinc/08/75/53/907087553.db2.gz FRKDMYSFIMVDBI-LLVKDONJSA-N 2 0 296.415 -0.156 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420333540 907107423 /nfs/dbraw/zinc/10/74/23/907107423.db2.gz IEAUKSMJZZSOKE-LLVKDONJSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NC ZINC001420376419 907129806 /nfs/dbraw/zinc/12/98/06/907129806.db2.gz JWGYPFPTPFFRMM-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001420433130 907158905 /nfs/dbraw/zinc/15/89/05/907158905.db2.gz CRFPFJIIZZTQNG-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001420449439 907163401 /nfs/dbraw/zinc/16/34/01/907163401.db2.gz UFLDCKBUBWQSNF-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001420463952 907175250 /nfs/dbraw/zinc/17/52/50/907175250.db2.gz SQNAZAXNIKGLFK-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](C[N@H+](C)CCn1cncn1)NC(=O)[C@H]1CCC[NH+]1C ZINC001420539487 907205706 /nfs/dbraw/zinc/20/57/06/907205706.db2.gz NCIKCDUYKSJMFM-CHWSQXEVSA-N 2 0 294.403 -0.191 20 0 CBADRP C[C@@H](C[N@H+](C)CCn1cncn1)NC(=O)CC[NH+](C)C ZINC001420615816 907242439 /nfs/dbraw/zinc/24/24/39/907242439.db2.gz IZFGKWMSMLQWOT-LBPRGKRZSA-N 2 0 282.392 -0.334 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001420738034 907287961 /nfs/dbraw/zinc/28/79/61/907287961.db2.gz CTFMNTGCJOIVLV-GFCCVEGCSA-N 2 0 284.404 -0.395 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001420745946 907293395 /nfs/dbraw/zinc/29/33/95/907293395.db2.gz HKNHTWSZDYZWMY-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)CC1 ZINC001420786200 907298691 /nfs/dbraw/zinc/29/86/91/907298691.db2.gz JVBJSNBTMTWCBK-BETUJISGSA-N 2 0 281.400 -0.004 20 0 CBADRP C[NH+](C)C1(C(=O)NCC[C@H]2CC[N@H+](CC(N)=O)C2)CCC1 ZINC001420855825 907327188 /nfs/dbraw/zinc/32/71/88/907327188.db2.gz HRQOAYOTUHKYNH-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001420937953 907366318 /nfs/dbraw/zinc/36/63/18/907366318.db2.gz GKIBGBNJELZMEP-NEPJUHHUSA-N 2 0 284.404 -0.408 20 0 CBADRP Cn1ncnc1CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001421000761 907384327 /nfs/dbraw/zinc/38/43/27/907384327.db2.gz FNLQZBNTEICFDN-NSHDSACASA-N 2 0 292.387 -0.495 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001420995145 907385787 /nfs/dbraw/zinc/38/57/87/907385787.db2.gz ODNCYMNRQSPAFF-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCO)CCC2)C1 ZINC001502017565 921319966 /nfs/dbraw/zinc/31/99/66/921319966.db2.gz OKWKYCVKNYUFSW-LBPRGKRZSA-N 2 0 269.389 -0.051 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC(=O)N3CCC3)CC2)C1 ZINC001421006232 907390763 /nfs/dbraw/zinc/39/07/63/907390763.db2.gz YKJGBUHLBJVDIG-GFCCVEGCSA-N 2 0 294.399 -0.591 20 0 CBADRP CCNC(=O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001421006299 907392343 /nfs/dbraw/zinc/39/23/43/907392343.db2.gz ZAHJUELFJSFLTR-UHFFFAOYSA-N 2 0 282.388 -0.543 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+][C@H](C)C(N)=O)CC1 ZINC001421007153 907393381 /nfs/dbraw/zinc/39/33/81/907393381.db2.gz VUHYMZYCWNNJKP-NEPJUHHUSA-N 2 0 296.415 -0.027 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001421097040 907426486 /nfs/dbraw/zinc/42/64/86/907426486.db2.gz AATIGKJFBOQUSY-NWDGAFQWSA-N 2 0 284.404 -0.219 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001421244287 907473069 /nfs/dbraw/zinc/47/30/69/907473069.db2.gz BRODZRFFZHFDGE-MELADBBJSA-N 2 0 299.415 -0.474 20 0 CBADRP CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001421257106 907474896 /nfs/dbraw/zinc/47/48/96/907474896.db2.gz VBVYCYXEQOGOSG-SWLSCSKDSA-N 2 0 296.415 -0.488 20 0 CBADRP CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001421257110 907475491 /nfs/dbraw/zinc/47/54/91/907475491.db2.gz VBVYCYXEQOGOSG-WFASDCNBSA-N 2 0 296.415 -0.488 20 0 CBADRP C[NH+]1CCC(C(=O)NCC2([NH2+]CCO)CCOCC2)CC1 ZINC001421309962 907490410 /nfs/dbraw/zinc/49/04/10/907490410.db2.gz FVRGMCUUCVBTTC-UHFFFAOYSA-N 2 0 299.415 -0.425 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001421356389 907506598 /nfs/dbraw/zinc/50/65/98/907506598.db2.gz ZHBGFFKCDCJYNA-ZFWWWQNUSA-N 2 0 299.415 -0.596 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1)[NH+](C)C ZINC001421379587 907514071 /nfs/dbraw/zinc/51/40/71/907514071.db2.gz RSASDRVJVZIADP-OCCSQVGLSA-N 2 0 287.404 -0.882 20 0 CBADRP CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001421393340 907521208 /nfs/dbraw/zinc/52/12/08/907521208.db2.gz RZFZELYYXRPEPQ-UKRRQHHQSA-N 2 0 299.415 -0.472 20 0 CBADRP CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H]1CCNC1=O ZINC001421421377 907538636 /nfs/dbraw/zinc/53/86/36/907538636.db2.gz KFNPEGZJWPUKCA-WCQYABFASA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@H]1CCNC1=O ZINC001421421382 907539333 /nfs/dbraw/zinc/53/93/33/907539333.db2.gz KFNPEGZJWPUKCA-YPMHNXCESA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)C(=O)NC ZINC001421439167 907548282 /nfs/dbraw/zinc/54/82/82/907548282.db2.gz DRLHHJWHWMALKE-QWRGUYRKSA-N 2 0 272.393 -0.443 20 0 CBADRP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001421446140 907551906 /nfs/dbraw/zinc/55/19/06/907551906.db2.gz XNFXTSXHYJLMBS-JTQLQIEISA-N 2 0 298.391 -0.956 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(C)C ZINC001421488413 907568243 /nfs/dbraw/zinc/56/82/43/907568243.db2.gz INLUGEGNBPTXBD-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@H](C)C(=O)NC ZINC001421503462 907568927 /nfs/dbraw/zinc/56/89/27/907568927.db2.gz UFBXMCLWYWHJAI-VXGBXAGGSA-N 2 0 286.420 -0.055 20 0 CBADRP NC(=O)C[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001421534192 907577555 /nfs/dbraw/zinc/57/75/55/907577555.db2.gz ZXJYLXNHWKANOS-UHFFFAOYSA-N 2 0 282.388 -0.414 20 0 CBADRP CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001421736240 907628272 /nfs/dbraw/zinc/62/82/72/907628272.db2.gz MZCGWJCGLUIPLG-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCC1 ZINC001421749960 907633004 /nfs/dbraw/zinc/63/30/04/907633004.db2.gz KBTRUUXVKOOLFJ-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001421759607 907635519 /nfs/dbraw/zinc/63/55/19/907635519.db2.gz OMRWNQQAMCJKMM-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1cnon1 ZINC001421770470 907640071 /nfs/dbraw/zinc/64/00/71/907640071.db2.gz OGUGXKPHEXERDD-GHMZBOCLSA-N 2 0 281.360 -0.137 20 0 CBADRP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001421798592 907648228 /nfs/dbraw/zinc/64/82/28/907648228.db2.gz DYRGIFHBORXDBO-QWHCGFSZSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001421806304 907648599 /nfs/dbraw/zinc/64/85/99/907648599.db2.gz SYNJQOZMBYIRRS-RYUDHWBXSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001421806307 907648967 /nfs/dbraw/zinc/64/89/67/907648967.db2.gz SYNJQOZMBYIRRS-VXGBXAGGSA-N 2 0 296.415 -0.027 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001502135093 921341915 /nfs/dbraw/zinc/34/19/15/921341915.db2.gz GXLCYMZUPGHYQX-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001421924097 907682902 /nfs/dbraw/zinc/68/29/02/907682902.db2.gz CAMWOLDCUVMJFD-NWDGAFQWSA-N 2 0 286.420 -0.149 20 0 CBADRP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422019755 907701270 /nfs/dbraw/zinc/70/12/70/907701270.db2.gz QRYXWTDIEPSFBU-VXGBXAGGSA-N 2 0 284.404 -0.456 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(=O)N(C)C ZINC001422128012 907720402 /nfs/dbraw/zinc/72/04/02/907720402.db2.gz OFBMZQSHEGWKAS-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[N@@H+]1CC[C@@H]2C[NH+](CC3CN(S(C)(=O)=O)C3)C[C@@H]2C1 ZINC001422142759 907723733 /nfs/dbraw/zinc/72/37/33/907723733.db2.gz JZANUVQEHFLALE-OLZOCXBDSA-N 2 0 287.429 -0.239 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001422262845 907765573 /nfs/dbraw/zinc/76/55/73/907765573.db2.gz CFUACFLCBORBRK-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H]([NH2+]CCO)[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001422396722 907840319 /nfs/dbraw/zinc/84/03/19/907840319.db2.gz NTHFJZSJQZPKFP-NEPJUHHUSA-N 2 0 297.403 -0.467 20 0 CBADRP Cc1oncc1C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC001422416565 907848349 /nfs/dbraw/zinc/84/83/49/907848349.db2.gz MDYYUNQODFDTQE-CYBMUJFWSA-N 2 0 298.387 -0.110 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001422504214 907895065 /nfs/dbraw/zinc/89/50/65/907895065.db2.gz GGAAAMLQIXVMBT-DGCLKSJQSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001422553990 907919392 /nfs/dbraw/zinc/91/93/92/907919392.db2.gz SQNAZAXNIKGLFK-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)[C@H]1CCNC1=O ZINC001422548606 907920375 /nfs/dbraw/zinc/92/03/75/907920375.db2.gz DGPTZVIGPPPTSI-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CCN1CC[C@H]([N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001422574758 907931423 /nfs/dbraw/zinc/93/14/23/907931423.db2.gz ZKPDWCLRPUAJDA-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001422588646 907936414 /nfs/dbraw/zinc/93/64/14/907936414.db2.gz FXFNCEAKCNMDGR-MNOVXSKESA-N 2 0 270.377 -0.832 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)[C@H]1CCN(C)C1=O ZINC001422596657 907936952 /nfs/dbraw/zinc/93/69/52/907936952.db2.gz JKVPZEXLBRVKTD-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)C[NH+]1CCC(C)CC1 ZINC001422590757 907937506 /nfs/dbraw/zinc/93/75/06/907937506.db2.gz OSSGOEXLGZQVRH-VXGBXAGGSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001422675225 907970930 /nfs/dbraw/zinc/97/09/30/907970930.db2.gz RCVKHOYDSHSKPI-SRVKXCTJSA-N 2 0 286.420 -0.199 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001422676837 907973353 /nfs/dbraw/zinc/97/33/53/907973353.db2.gz XLZLGKFVXVJOJN-SRVKXCTJSA-N 2 0 284.404 -0.445 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001422702240 907975336 /nfs/dbraw/zinc/97/53/36/907975336.db2.gz QPBXLGSJAXRZNX-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001422820780 908023841 /nfs/dbraw/zinc/02/38/41/908023841.db2.gz HQNQFHWNYYBLKW-XYYAHUGASA-N 2 0 296.415 -0.632 20 0 CBADRP C[C@H](C[N@H+](C)[C@@H]1CCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001422889669 908048997 /nfs/dbraw/zinc/04/89/97/908048997.db2.gz VJJWAPNLYDFYTE-VXGBXAGGSA-N 2 0 284.404 -0.395 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001422912800 908057892 /nfs/dbraw/zinc/05/78/92/908057892.db2.gz HEMJKXZXLXIWNV-IJLUTSLNSA-N 2 0 282.388 -0.702 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001422918812 908058867 /nfs/dbraw/zinc/05/88/67/908058867.db2.gz UBMHBIBKNHRIFT-JOCQHMNTSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001422917184 908059827 /nfs/dbraw/zinc/05/98/27/908059827.db2.gz KIQFASNZBIGZTD-IJLUTSLNSA-N 2 0 284.404 -0.315 20 0 CBADRP CCCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001423173141 908128865 /nfs/dbraw/zinc/12/88/65/908128865.db2.gz YYPPFIIDFWEQRX-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CCCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001423173157 908129174 /nfs/dbraw/zinc/12/91/74/908129174.db2.gz YYPPFIIDFWEQRX-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001423220809 908165384 /nfs/dbraw/zinc/16/53/84/908165384.db2.gz ICGHKMHNTSNYDR-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)c1)[NH+](C)C ZINC001423263908 908181247 /nfs/dbraw/zinc/18/12/47/908181247.db2.gz OHRFUDVFYVQTND-OLZOCXBDSA-N 2 0 297.403 -0.673 20 0 CBADRP O=C(NC[C@H](CO)[NH2+]C[C@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001423288878 908191846 /nfs/dbraw/zinc/19/18/46/908191846.db2.gz CABAGCDKFWUSBC-CHWSQXEVSA-N 2 0 297.399 -0.815 20 0 CBADRP C[C@H](O)C[NH2+]C1(CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001423306539 908197670 /nfs/dbraw/zinc/19/76/70/908197670.db2.gz XHWAPEFFUKHHMP-LBPRGKRZSA-N 2 0 299.415 -0.284 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001423325114 908202523 /nfs/dbraw/zinc/20/25/23/908202523.db2.gz MGFAVQICFCXGGU-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001423395551 908217604 /nfs/dbraw/zinc/21/76/04/908217604.db2.gz ZDEVTGXNRXUHRV-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001423409179 908223248 /nfs/dbraw/zinc/22/32/48/908223248.db2.gz LHUUIOMVVYGEHV-VXGBXAGGSA-N 2 0 296.415 -0.312 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001423473111 908246249 /nfs/dbraw/zinc/24/62/49/908246249.db2.gz GCPWDXZHNOUTMQ-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001423473246 908247371 /nfs/dbraw/zinc/24/73/71/908247371.db2.gz UZOLHHTZCGOBAB-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)C1(C[NH+](C)C)CC1 ZINC001423535387 908273107 /nfs/dbraw/zinc/27/31/07/908273107.db2.gz ABWUNZCLQRNKNY-LBPRGKRZSA-N 2 0 287.404 -0.928 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001423569232 908286144 /nfs/dbraw/zinc/28/61/44/908286144.db2.gz BELGTNHVYOUXLX-GUTXKFCHSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001423589526 908289085 /nfs/dbraw/zinc/28/90/85/908289085.db2.gz UFGAYCWFJUFHFY-SMDDNHRTSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C)CC1 ZINC001423625684 908297645 /nfs/dbraw/zinc/29/76/45/908297645.db2.gz RAYIKYGAIJKCSQ-LBPRGKRZSA-N 2 0 298.431 -0.066 20 0 CBADRP COCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@@H](C)O ZINC001423641215 908298772 /nfs/dbraw/zinc/29/87/72/908298772.db2.gz LAWQJEKCFMELJD-CHWSQXEVSA-N 2 0 287.404 -0.617 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001423948224 908376856 /nfs/dbraw/zinc/37/68/56/908376856.db2.gz MMDAWWSWNDDKKP-OLZOCXBDSA-N 2 0 298.431 -0.112 20 0 CBADRP C[C@@H](NC(=O)Cc1c[nH]cn1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001423980473 908377317 /nfs/dbraw/zinc/37/73/17/908377317.db2.gz WLRIFXQOPDFXTG-WDEREUQCSA-N 2 0 295.387 -0.087 20 0 CBADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001423975219 908378491 /nfs/dbraw/zinc/37/84/91/908378491.db2.gz PCFSQTHRUSKEHA-NWDGAFQWSA-N 2 0 296.415 -0.360 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H](CC[NH2+][C@H]2CCNC2=O)C1 ZINC001424094319 908406197 /nfs/dbraw/zinc/40/61/97/908406197.db2.gz XKGOIRWDODNGKK-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001424269315 908437827 /nfs/dbraw/zinc/43/78/27/908437827.db2.gz SEGCEEBOWMBWCC-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001424333512 908443427 /nfs/dbraw/zinc/44/34/27/908443427.db2.gz XGRACFDGYIAIAK-GFCCVEGCSA-N 2 0 284.404 -0.264 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001424488968 908463547 /nfs/dbraw/zinc/46/35/47/908463547.db2.gz UDUZNNZJDPTXIH-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001424546324 908469884 /nfs/dbraw/zinc/46/98/84/908469884.db2.gz JVZYKIBPKRSPPH-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001424741221 908495303 /nfs/dbraw/zinc/49/53/03/908495303.db2.gz JAXJFQXXIYKKCQ-HIFPTAJRSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001424796103 908507526 /nfs/dbraw/zinc/50/75/26/908507526.db2.gz XDQIMSKHHAITJW-MNOVXSKESA-N 2 0 282.388 -0.417 20 0 CBADRP CC(C)[C@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001425166755 908578742 /nfs/dbraw/zinc/57/87/42/908578742.db2.gz VGRUQJGIPMIPOV-STQMWFEESA-N 2 0 298.431 -0.114 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)[C@@H]1CCNC1=O ZINC001505444963 921426342 /nfs/dbraw/zinc/42/63/42/921426342.db2.gz LRAPHRFWHOKCIJ-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001425409332 908640257 /nfs/dbraw/zinc/64/02/57/908640257.db2.gz ZZIVFMLENGGWTC-CYDGBPFRSA-N 2 0 296.415 -0.314 20 0 CBADRP CN(C(=O)CC[NH+](C)C)[C@@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001425494211 908656967 /nfs/dbraw/zinc/65/69/67/908656967.db2.gz MPBPERDZGHPINV-STQMWFEESA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H]1CCNC1=O ZINC001425573467 908677014 /nfs/dbraw/zinc/67/70/14/908677014.db2.gz HBIYWXFVCDQLTH-WCQYABFASA-N 2 0 296.415 -0.204 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001425681566 908689327 /nfs/dbraw/zinc/68/93/27/908689327.db2.gz NDHVZTBYXKNXGB-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001425686142 908689665 /nfs/dbraw/zinc/68/96/65/908689665.db2.gz UZITZNKNLJVUOI-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC ZINC001425681578 908690090 /nfs/dbraw/zinc/69/00/90/908690090.db2.gz NDHVZTBYXKNXGB-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP O=C(NC[C@H](CO)[NH2+]CC1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001425748388 908726315 /nfs/dbraw/zinc/72/63/15/908726315.db2.gz AVQRYOKWPPRJQY-ZIAGYGMSSA-N 2 0 281.400 -0.195 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CC(C[NH2+]CC(N)=O)C2)C1 ZINC001505529103 921435945 /nfs/dbraw/zinc/43/59/45/921435945.db2.gz BUVDXFCDAKFQNU-UNXYVOJBSA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@H](O)C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001425820927 908752830 /nfs/dbraw/zinc/75/28/30/908752830.db2.gz KAOIHSWMRBGXLD-STQMWFEESA-N 2 0 287.404 -0.834 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cccnc2)C1 ZINC001425844988 908762472 /nfs/dbraw/zinc/76/24/72/908762472.db2.gz VPQJVZMZMHYWFQ-UONOGXRCSA-N 2 0 292.383 -0.400 20 0 CBADRP CC[NH2+][C@@H](CO)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001425845305 908762845 /nfs/dbraw/zinc/76/28/45/908762845.db2.gz ALPKOHOUSFXYSB-VXGBXAGGSA-N 2 0 273.377 -0.959 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C)CC1 ZINC001426170668 908840098 /nfs/dbraw/zinc/84/00/98/908840098.db2.gz YSSFJBKXASWEOK-NSHDSACASA-N 2 0 298.431 -0.066 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001505680096 921464746 /nfs/dbraw/zinc/46/47/46/921464746.db2.gz ZGLDRGMKPMENCY-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001428118039 909080515 /nfs/dbraw/zinc/08/05/15/909080515.db2.gz KKDBOGQDAGCPOR-LBPRGKRZSA-N 2 0 293.371 -0.448 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)NC ZINC001505725290 921472527 /nfs/dbraw/zinc/47/25/27/921472527.db2.gz RNTOWMALQHFJHH-WDEREUQCSA-N 2 0 272.393 -0.443 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)NC ZINC001505725287 921472589 /nfs/dbraw/zinc/47/25/89/921472589.db2.gz RNTOWMALQHFJHH-GHMZBOCLSA-N 2 0 272.393 -0.443 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](C)NC(=O)CC[NH+](C)C)[NH+](C)C ZINC001428721472 909158804 /nfs/dbraw/zinc/15/88/04/909158804.db2.gz JSVSJXCZCBWGTG-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001505753718 921476400 /nfs/dbraw/zinc/47/64/00/921476400.db2.gz ISBFAZACUYPIBL-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001430214853 909313960 /nfs/dbraw/zinc/31/39/60/909313960.db2.gz ZHKJBDIYSLFVBE-UHFFFAOYSA-N 2 0 296.415 -0.249 20 0 CBADRP C[NH+](C)CCC(=O)N1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001432302272 909604263 /nfs/dbraw/zinc/60/42/63/909604263.db2.gz VTVDNIMOIDSCNZ-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001433420947 909727658 /nfs/dbraw/zinc/72/76/58/909727658.db2.gz NNJLFLPEFKZTOU-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001505991395 921521941 /nfs/dbraw/zinc/52/19/41/921521941.db2.gz RRFBOZJAFMYPIP-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCN1C(=O)CC[NH+](C)C ZINC001433744689 909839447 /nfs/dbraw/zinc/83/94/47/909839447.db2.gz WNTOFTMXLPFBPP-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@]3(O)CCC[NH+](C)C3)C[C@@H]21 ZINC001434012451 909957584 /nfs/dbraw/zinc/95/75/84/909957584.db2.gz JLNDAWTUSKXDIC-IPYPFGDCSA-N 2 0 281.400 -0.004 20 0 CBADRP O=C(C[NH+]1CCC(CO)CC1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001434386441 910145996 /nfs/dbraw/zinc/14/59/96/910145996.db2.gz WWZGKHKPOPFZHO-ZDUSSCGKSA-N 2 0 297.399 -0.720 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001436356626 910433747 /nfs/dbraw/zinc/43/37/47/910433747.db2.gz TZAZVXOTITWXRQ-TUAOUCFPSA-N 2 0 282.388 -0.689 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001436356593 910434051 /nfs/dbraw/zinc/43/40/51/910434051.db2.gz TZAZVXOTITWXRQ-GRYCIOLGSA-N 2 0 282.388 -0.689 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001436398063 910437649 /nfs/dbraw/zinc/43/76/49/910437649.db2.gz UDFIRFWAKBPLML-AVGNSLFASA-N 2 0 296.415 -0.441 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001436398530 910437708 /nfs/dbraw/zinc/43/77/08/910437708.db2.gz VFHIBFRSNJFGHL-IJLUTSLNSA-N 2 0 282.388 -0.702 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001436413642 910442954 /nfs/dbraw/zinc/44/29/54/910442954.db2.gz GGSQGESYKNKNRB-XQQFMLRXSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001436878695 910498257 /nfs/dbraw/zinc/49/82/57/910498257.db2.gz XJVPACHRRLLBHT-STQMWFEESA-N 2 0 296.415 -0.347 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001436868003 910498524 /nfs/dbraw/zinc/49/85/24/910498524.db2.gz ZCCDYFNPKKMPPX-MELADBBJSA-N 2 0 299.415 -0.332 20 0 CBADRP CCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001436906701 910506378 /nfs/dbraw/zinc/50/63/78/910506378.db2.gz AFKHKPPKVCBNPZ-JHJVBQTASA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001436910222 910508339 /nfs/dbraw/zinc/50/83/39/910508339.db2.gz DMPVHRSMFYIYLP-JHJVBQTASA-N 2 0 299.415 -0.285 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001436924538 910510213 /nfs/dbraw/zinc/51/02/13/910510213.db2.gz ILAMFZNYICBFSH-JHJVBQTASA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1)[NH+](CC)CC ZINC001436912798 910510295 /nfs/dbraw/zinc/51/02/95/910510295.db2.gz LKYHWLMFNDXBEI-SRVKXCTJSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(=O)N(C)C ZINC001436981631 910520389 /nfs/dbraw/zinc/52/03/89/910520389.db2.gz ZHMVXDSUQRGLBT-QNWHQSFQSA-N 2 0 296.415 -0.348 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001436972719 910520489 /nfs/dbraw/zinc/52/04/89/910520489.db2.gz FUISZGHODJXBKY-GRYCIOLGSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001437120637 910551131 /nfs/dbraw/zinc/55/11/31/910551131.db2.gz FCSFOXFKYUTONQ-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001437161289 910568355 /nfs/dbraw/zinc/56/83/55/910568355.db2.gz AWXUFUYBNNLZGU-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCN1CCNC1=O ZINC001437191626 910579984 /nfs/dbraw/zinc/57/99/84/910579984.db2.gz XJAKUPKUYOSPBB-VXGBXAGGSA-N 2 0 297.403 -0.800 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001437249062 910597825 /nfs/dbraw/zinc/59/78/25/910597825.db2.gz OKONACYAVGCBJQ-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001437249059 910599413 /nfs/dbraw/zinc/59/94/13/910599413.db2.gz OKONACYAVGCBJQ-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCS(C)(=O)=O ZINC001437260470 910603406 /nfs/dbraw/zinc/60/34/06/910603406.db2.gz LOSCPEWQQKRLRB-WDEREUQCSA-N 2 0 291.417 -0.923 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001437263178 910603605 /nfs/dbraw/zinc/60/36/05/910603605.db2.gz ROMIWKQXJWBJAW-WDEREUQCSA-N 2 0 270.377 -0.879 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001437263176 910603872 /nfs/dbraw/zinc/60/38/72/910603872.db2.gz ROMIWKQXJWBJAW-QWRGUYRKSA-N 2 0 270.377 -0.879 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001437299071 910610743 /nfs/dbraw/zinc/61/07/43/910610743.db2.gz DXFAXDPWNZTEON-QWHCGFSZSA-N 2 0 296.415 -0.217 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001437334707 910614645 /nfs/dbraw/zinc/61/46/45/910614645.db2.gz YAPIMZPRZZFTQV-UONOGXRCSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H](C)C(N)=O ZINC001437396342 910625805 /nfs/dbraw/zinc/62/58/05/910625805.db2.gz HFASFTYUETZQJC-QWRGUYRKSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001437426577 910629324 /nfs/dbraw/zinc/62/93/24/910629324.db2.gz IOWQQFITMPTIFN-GFCCVEGCSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nncn1C ZINC001437422086 910629350 /nfs/dbraw/zinc/62/93/50/910629350.db2.gz LMWSBAPKZNPUQD-VXGBXAGGSA-N 2 0 294.403 -0.249 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001437719905 910734861 /nfs/dbraw/zinc/73/48/61/910734861.db2.gz IJQJEBUQHWWNKE-LBPRGKRZSA-N 2 0 296.415 -0.488 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001437952043 910787080 /nfs/dbraw/zinc/78/70/80/910787080.db2.gz YYWZOIYQJDZDMF-STQMWFEESA-N 2 0 296.415 -0.488 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001438420834 910891497 /nfs/dbraw/zinc/89/14/97/910891497.db2.gz QYBIPGRGSWRSBJ-BXUZGUMPSA-N 2 0 282.388 -0.560 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001438461214 910896878 /nfs/dbraw/zinc/89/68/78/910896878.db2.gz QEAMGXOUFRXBIO-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]CC(N)=O ZINC001438494023 910905656 /nfs/dbraw/zinc/90/56/56/910905656.db2.gz RBUZRIAWADGLBD-CMPLNLGQSA-N 2 0 282.388 -0.845 20 0 CBADRP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]CC(N)=O ZINC001438503418 910907194 /nfs/dbraw/zinc/90/71/94/910907194.db2.gz KPYVFIMFXLKQEN-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+][C@H]1CCNC1=O ZINC001438518759 910910594 /nfs/dbraw/zinc/91/05/94/910910594.db2.gz IENXBUGOTVRSIN-YPMHNXCESA-N 2 0 296.415 -0.441 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001438525528 910911860 /nfs/dbraw/zinc/91/18/60/910911860.db2.gz ZRHOFDOHOKJPQJ-YNEHKIRRSA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]CC(=O)N(C)C ZINC001438524422 910911965 /nfs/dbraw/zinc/91/19/65/910911965.db2.gz VQAPCKGZQPAJKA-NSHDSACASA-N 2 0 272.393 -0.632 20 0 CBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+][C@@H]1CCNC1=O ZINC001438518754 910914026 /nfs/dbraw/zinc/91/40/26/910914026.db2.gz IENXBUGOTVRSIN-DGCLKSJQSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1cn(C)nn1 ZINC001438548196 910916302 /nfs/dbraw/zinc/91/63/02/910916302.db2.gz PVKAUWTWIVSPLK-NWDGAFQWSA-N 2 0 294.403 -0.391 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1nnnn1C ZINC001438549554 910916537 /nfs/dbraw/zinc/91/65/37/910916537.db2.gz RMWXANZQEXKPQI-QWRGUYRKSA-N 2 0 295.391 -0.996 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001438545771 910919529 /nfs/dbraw/zinc/91/95/29/910919529.db2.gz QWGRXTZDOJMJDG-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001438588001 910927548 /nfs/dbraw/zinc/92/75/48/910927548.db2.gz HLRYZCDBYFLNOK-NSHDSACASA-N 2 0 282.388 -0.416 20 0 CBADRP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)on1 ZINC001438983558 911037606 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C[C@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)C[NH+]1CCCC1 ZINC001439179256 911127664 /nfs/dbraw/zinc/12/76/64/911127664.db2.gz KZAHSJLGLPNRLJ-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001439176820 911128037 /nfs/dbraw/zinc/12/80/37/911128037.db2.gz CVZANOHFJFVYDT-MNOVXSKESA-N 2 0 270.377 -0.879 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001439284178 911164958 /nfs/dbraw/zinc/16/49/58/911164958.db2.gz XKFYZRUIGVCWLD-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001439283444 911166714 /nfs/dbraw/zinc/16/67/14/911166714.db2.gz RNYFKLYSMWVLNB-QWRGUYRKSA-N 2 0 270.377 -0.832 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001439448620 911212416 /nfs/dbraw/zinc/21/24/16/911212416.db2.gz ZMBVPZOTMYSPRF-OLZOCXBDSA-N 2 0 296.415 -0.347 20 0 CBADRP CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001439623307 911258811 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CNC(=O)C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001440330502 911434016 /nfs/dbraw/zinc/43/40/16/911434016.db2.gz DLARWKCGNWBEOK-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001440410516 911447409 /nfs/dbraw/zinc/44/74/09/911447409.db2.gz LVYRNCSQERAXPA-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](O)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001440578966 911474582 /nfs/dbraw/zinc/47/45/82/911474582.db2.gz XOMOCODSBFVSGR-CHWSQXEVSA-N 2 0 299.415 -0.426 20 0 CBADRP C[NH+](C)C1(C(=O)N2CCC(C)([NH2+]CC(N)=O)CC2)CCC1 ZINC001440596310 911478290 /nfs/dbraw/zinc/47/82/90/911478290.db2.gz CWVPJQUKFDVMTF-UHFFFAOYSA-N 2 0 296.415 -0.073 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001440592811 911479068 /nfs/dbraw/zinc/47/90/68/911479068.db2.gz KAOIZTYEGYDLQB-RYUDHWBXSA-N 2 0 284.404 -0.491 20 0 CBADRP C[NH+](C)CCN1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001440685469 911487711 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CCNC(=O)C[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001441951722 911867187 /nfs/dbraw/zinc/86/71/87/911867187.db2.gz YDJAINIVIJGMFJ-LLVKDONJSA-N 2 0 284.404 -0.441 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001442016789 911894286 /nfs/dbraw/zinc/89/42/86/911894286.db2.gz YMLBOUDZXGPEHC-MNOVXSKESA-N 2 0 272.393 -0.443 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001442011445 911894581 /nfs/dbraw/zinc/89/45/81/911894581.db2.gz QEBVVQPUPAYIFK-JQWIXIFHSA-N 2 0 282.392 -0.250 20 0 CBADRP CC(C)CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001442051469 911911380 /nfs/dbraw/zinc/91/13/80/911911380.db2.gz NQGCHDYTTWCPAU-OLZOCXBDSA-N 2 0 298.431 -0.195 20 0 CBADRP CC(C)[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CCO)[NH+](C)C ZINC001442089834 911930539 /nfs/dbraw/zinc/93/05/39/911930539.db2.gz GQBVSDABCXBHKC-QWHCGFSZSA-N 2 0 289.420 -0.684 20 0 CBADRP NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001442121107 911931800 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CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC001442923536 912129292 /nfs/dbraw/zinc/12/92/92/912129292.db2.gz VCSUAMPYYNUFOK-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+][C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001443079344 912148992 /nfs/dbraw/zinc/14/89/92/912148992.db2.gz PJGGVMPBWBDNQJ-IJLUTSLNSA-N 2 0 282.388 -0.737 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)N(C)C ZINC001443087987 912151068 /nfs/dbraw/zinc/15/10/68/912151068.db2.gz RHTYUXHCMGUGJZ-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@@H]([NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001443081688 912151173 /nfs/dbraw/zinc/15/11/73/912151173.db2.gz RWYBDDGVWSEPIA-GFCCVEGCSA-N 2 0 284.404 -0.360 20 0 CBADRP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001443099125 912156548 /nfs/dbraw/zinc/15/65/48/912156548.db2.gz KPMMNLJPYSASNN-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCN1CC[NH+](C)CC1 ZINC001463834121 914934303 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C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)CC[NH+]1CCCCC1 ZINC001507265279 921796634 /nfs/dbraw/zinc/79/66/34/921796634.db2.gz QMVAYHCUWXGYEU-QWHCGFSZSA-N 2 0 287.404 -0.690 20 0 CBADRP C[NH+]1CCC(C)(C[NH2+]Cc2cn(CC(N)=O)nn2)CC1 ZINC001474081845 915883700 /nfs/dbraw/zinc/88/37/00/915883700.db2.gz GECPEKNKNQLOHR-UHFFFAOYSA-N 2 0 280.376 -0.415 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001507316834 921808151 /nfs/dbraw/zinc/80/81/51/921808151.db2.gz FHDVUEARYDLETQ-WDEREUQCSA-N 2 0 282.388 -0.608 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CNC(=O)C1 ZINC001478817844 916075783 /nfs/dbraw/zinc/07/57/83/916075783.db2.gz BZJHKQTVNNAVJP-GFCCVEGCSA-N 2 0 299.419 -0.743 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001479272584 916106418 /nfs/dbraw/zinc/10/64/18/916106418.db2.gz WSYMGFYMMHYHDV-STQMWFEESA-N 2 0 269.389 -0.004 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001479341742 916120171 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O=C(NC[C@@H]([NH2+]CCO)C1CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001480061442 916278612 /nfs/dbraw/zinc/27/86/12/916278612.db2.gz BFRDUQHMPHXTGZ-HIFRSBDPSA-N 2 0 281.400 -0.051 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001480168575 916315260 /nfs/dbraw/zinc/31/52/60/916315260.db2.gz PKDYKVDESIGULL-IJLUTSLNSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](C)O)C1)[NH+](C)C ZINC001480166911 916316461 /nfs/dbraw/zinc/31/64/61/916316461.db2.gz DYVYKCBBMHGOIK-DDHJBXDOSA-N 2 0 257.378 -0.056 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001480221259 916334678 /nfs/dbraw/zinc/33/46/78/916334678.db2.gz ROCXHYIRQRFUJP-PHIMTYICSA-N 2 0 270.377 -0.689 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001480237643 916346273 /nfs/dbraw/zinc/34/62/73/916346273.db2.gz HKWWHPGYEKOQAB-TXEJJXNPSA-N 2 0 284.404 -0.348 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)N(C)C ZINC001480575444 916477531 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CBADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+]CC(N)=O ZINC001480813489 916552002 /nfs/dbraw/zinc/55/20/02/916552002.db2.gz HKXLWHHTRXIDFD-SNVBAGLBSA-N 2 0 258.366 -0.704 20 0 CBADRP C[C@H](O)C[N@H+](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001480947128 916652016 /nfs/dbraw/zinc/65/20/16/916652016.db2.gz JAOFBAABZQODDD-STQMWFEESA-N 2 0 287.404 -0.617 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@H](C)O ZINC001481017125 916686437 /nfs/dbraw/zinc/68/64/37/916686437.db2.gz ZIAHIQPKLXESQO-NWDGAFQWSA-N 2 0 257.378 -0.243 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCOCCO ZINC001481054339 916698405 /nfs/dbraw/zinc/69/84/05/916698405.db2.gz YTGIKGRDGIKJHL-ZIAGYGMSSA-N 2 0 299.415 -0.330 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]([C@H](C)C(=O)NC)C1 ZINC001481120428 916722500 /nfs/dbraw/zinc/72/25/00/916722500.db2.gz DFWFBPUUXOOFBD-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+]CCN1CCNC1=O)[NH+](C)C ZINC001481245291 916786099 /nfs/dbraw/zinc/78/60/99/916786099.db2.gz HFLXIRJSUTVBRR-GFCCVEGCSA-N 2 0 299.419 -0.600 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)C[NH+]1CCCC1)C(N)=O ZINC001481314310 916813034 /nfs/dbraw/zinc/81/30/34/916813034.db2.gz DJWRKXBYQCBESU-JTQLQIEISA-N 2 0 256.350 -0.996 20 0 CBADRP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481314676 916817814 /nfs/dbraw/zinc/81/78/14/916817814.db2.gz JWIIVPQJYFEZNS-NWDGAFQWSA-N 2 0 282.388 -0.783 20 0 CBADRP CNC(=O)C[NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001481319594 916819241 /nfs/dbraw/zinc/81/92/41/916819241.db2.gz JXAJDOCQTJFHBL-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001481344488 916821285 /nfs/dbraw/zinc/82/12/85/916821285.db2.gz YFCUNHUCBLWDIL-DGCLKSJQSA-N 2 0 296.415 -0.360 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001481464144 916838560 /nfs/dbraw/zinc/83/85/60/916838560.db2.gz IEHOCICNZQXVLK-OLZOCXBDSA-N 2 0 269.389 -0.241 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CC(N)=O)C1 ZINC001481505500 916848219 /nfs/dbraw/zinc/84/82/19/916848219.db2.gz SLNKHRIRFVOROC-GFCCVEGCSA-N 2 0 284.404 -0.406 20 0 CBADRP C[NH+](C)CCC(=O)NCC1C[NH+](CCN2CCCC2=O)C1 ZINC001481642647 916925838 /nfs/dbraw/zinc/92/58/38/916925838.db2.gz MTCUVFFPOCTRLG-UHFFFAOYSA-N 2 0 296.415 -0.392 20 0 CBADRP C[NH+](C)CCC(=O)NCC1C[NH+](CCn2cncn2)C1 ZINC001481643156 916926242 /nfs/dbraw/zinc/92/62/42/916926242.db2.gz VYVMTTNDOPJZKC-UHFFFAOYSA-N 2 0 280.376 -0.722 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)[NH2+]CC(N)=O ZINC001481816505 916994866 /nfs/dbraw/zinc/99/48/66/916994866.db2.gz MGPHDLSIVOGONT-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)N(C)C ZINC001482159709 917071840 /nfs/dbraw/zinc/07/18/40/917071840.db2.gz RCBSYDVDZRSZOW-STQMWFEESA-N 2 0 298.431 -0.242 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001482173330 917073686 /nfs/dbraw/zinc/07/36/86/917073686.db2.gz JPPGBYADTLXFTF-JTQLQIEISA-N 2 0 258.366 -0.846 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482295685 917117983 /nfs/dbraw/zinc/11/79/83/917117983.db2.gz DTNMQBLJVOVYTE-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H](C[NH2+]CCO)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001482290593 917118794 /nfs/dbraw/zinc/11/87/94/917118794.db2.gz ABFPKPOJOXQTTF-NSHDSACASA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H](C[NH2+]CCn1cncn1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482318881 917125188 /nfs/dbraw/zinc/12/51/88/917125188.db2.gz HKTZNIGMPOTZGA-QWHCGFSZSA-N 2 0 294.403 -0.191 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482353710 917135512 /nfs/dbraw/zinc/13/55/12/917135512.db2.gz KMLSGXIVHYFVGV-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001482355584 917135935 /nfs/dbraw/zinc/13/59/35/917135935.db2.gz ZTJWLWZPONIEME-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482353706 917135984 /nfs/dbraw/zinc/13/59/84/917135984.db2.gz KMLSGXIVHYFVGV-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H](C[NH2+]CCO)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001482353306 917136140 /nfs/dbraw/zinc/13/61/40/917136140.db2.gz HLWHMHGECDNCKB-LLVKDONJSA-N 2 0 255.362 -0.489 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001482365561 917138996 /nfs/dbraw/zinc/13/89/96/917138996.db2.gz WQCDCJIOWRNKFP-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001482495837 917151882 /nfs/dbraw/zinc/15/18/82/917151882.db2.gz STZFTGSFJDQYBL-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP Cn1cncc1C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001482790385 917286006 /nfs/dbraw/zinc/28/60/06/917286006.db2.gz BCXXHUBPHIPDRO-ZDUSSCGKSA-N 2 0 295.387 -0.917 20 0 CBADRP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)C[NH+]1CCC(C)CC1 ZINC001482886837 917323719 /nfs/dbraw/zinc/32/37/19/917323719.db2.gz UVGBAYSTRHJGNT-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](O)C[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001482890662 917324648 /nfs/dbraw/zinc/32/46/48/917324648.db2.gz ITMIECZKDMGCJO-VXGBXAGGSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H]([NH2+]C/C=C\CNC(=O)CC[NH+](C)C)C(N)=O ZINC001483054197 917389719 /nfs/dbraw/zinc/38/97/19/917389719.db2.gz KPZYOINKVAJDKX-UMCURTJPSA-N 2 0 256.350 -0.926 20 0 CBADRP C[C@@H]([NH2+]C/C=C\CNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001483053201 917393693 /nfs/dbraw/zinc/39/36/93/917393693.db2.gz CFFYOOFTXQTMAF-ZHRWSRJISA-N 2 0 284.404 -0.323 20 0 CBADRP CC[C@@H]([NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001483093635 917406101 /nfs/dbraw/zinc/40/61/01/917406101.db2.gz SARSTZHDWBVARC-VSQXVHSFSA-N 2 0 282.388 -0.392 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001483182312 917452173 /nfs/dbraw/zinc/45/21/73/917452173.db2.gz TUDYRLOTCQQDSW-MNOVXSKESA-N 2 0 298.387 -0.772 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001483244432 917490141 /nfs/dbraw/zinc/49/01/41/917490141.db2.gz QYRXHZXGXARBNV-QWHCGFSZSA-N 2 0 299.415 -0.284 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483255221 917494842 /nfs/dbraw/zinc/49/48/42/917494842.db2.gz FSJHHMKTUMLQIM-SDDRHHMPSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H](C[N@H+](C)CCO)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483340333 917536643 /nfs/dbraw/zinc/53/66/43/917536643.db2.gz ZRJAPJBQJIWXGC-DGCLKSJQSA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)C[N@H+](C)CCO ZINC001483421003 917558807 /nfs/dbraw/zinc/55/88/07/917558807.db2.gz ORXIWZWMZLVNLB-OLZOCXBDSA-N 2 0 287.404 -0.617 20 0 CBADRP C[C@@H](O)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001483484173 917577852 /nfs/dbraw/zinc/57/78/52/917577852.db2.gz KJAXTKZSUGDTGJ-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001483484884 917579658 /nfs/dbraw/zinc/57/96/58/917579658.db2.gz VDBCNISHTCIKQM-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C[NH2+]CCO)C1CC1)[NH+](C)C ZINC001483569850 917600135 /nfs/dbraw/zinc/60/01/35/917600135.db2.gz FCXQTIISXSUQQQ-NWDGAFQWSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@H]([NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1)C(N)=O ZINC001483603481 917603276 /nfs/dbraw/zinc/60/32/76/917603276.db2.gz ZUNXCXKHFMNLEF-JQWIXIFHSA-N 2 0 294.399 -0.560 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCO)CC2)C1 ZINC001483785201 917682008 /nfs/dbraw/zinc/68/20/08/917682008.db2.gz ZLXIXDZSCSWOIC-LLVKDONJSA-N 2 0 255.362 -0.441 20 0 CBADRP Cn1nncc1C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001483943819 917713997 /nfs/dbraw/zinc/71/39/97/917713997.db2.gz YJDXNIVYNJKYRL-LBPRGKRZSA-N 2 0 294.403 -0.153 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCCO)CCOCC1 ZINC001484177953 917742890 /nfs/dbraw/zinc/74/28/90/917742890.db2.gz AIQLXSYXPFQIJI-CYBMUJFWSA-N 2 0 299.415 -0.282 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCO)CCOCC2)C1 ZINC001484187639 917748663 /nfs/dbraw/zinc/74/86/63/917748663.db2.gz IPTKSYCFIYJGKT-CYBMUJFWSA-N 2 0 299.415 -0.425 20 0 CBADRP CO[C@@H](C)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001484478150 917866601 /nfs/dbraw/zinc/86/66/01/917866601.db2.gz HYKUYXHMHLKVSC-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H](O)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001484649218 917907121 /nfs/dbraw/zinc/90/71/21/917907121.db2.gz HFRVJMPYJSIDEN-LLVKDONJSA-N 2 0 257.378 -0.053 20 0 CBADRP CC(C)(C(=O)NCC1([NH2+]CC(N)=O)CCC1)[NH+]1CCCC1 ZINC001484645340 917909050 /nfs/dbraw/zinc/90/90/50/917909050.db2.gz LPKXJFNZCPYPJU-UHFFFAOYSA-N 2 0 296.415 -0.025 20 0 CBADRP CNC(=O)C[N@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001484765370 917936732 /nfs/dbraw/zinc/93/67/32/917936732.db2.gz CUCUNLJPUPHRMN-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]CC(N)=O)CC2)C1 ZINC001484927129 917967535 /nfs/dbraw/zinc/96/75/35/917967535.db2.gz IHVRMCIQECSTAW-LLVKDONJSA-N 2 0 282.388 -0.606 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]CC(N)=O)CC2)C1 ZINC001484927130 917968433 /nfs/dbraw/zinc/96/84/33/917968433.db2.gz IHVRMCIQECSTAW-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@@H]([NH2+]CC(=O)N(C)C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485215231 918029992 /nfs/dbraw/zinc/02/99/92/918029992.db2.gz LUTNTDHJXRZACF-NEPJUHHUSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CC(N)=O ZINC001485218073 918031975 /nfs/dbraw/zinc/03/19/75/918031975.db2.gz XVNGURWTVDRQOO-VHSXEESVSA-N 2 0 268.361 -0.950 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@H]1CCNC1=O ZINC001485371447 918099835 /nfs/dbraw/zinc/09/98/35/918099835.db2.gz WRETUROFYQNQTN-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@@H]1CCNC1=O ZINC001485371448 918102880 /nfs/dbraw/zinc/10/28/80/918102880.db2.gz WRETUROFYQNQTN-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+][C@@H](C)C(N)=O ZINC001485916520 918225866 /nfs/dbraw/zinc/22/58/66/918225866.db2.gz STDNOPOICVWNKA-MNOVXSKESA-N 2 0 272.393 -0.362 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC1CCOCC1 ZINC001485984150 918277345 /nfs/dbraw/zinc/27/73/45/918277345.db2.gz YZHDSNJAJZPSCQ-KGLIPLIRSA-N 2 0 299.415 -0.426 20 0 CBADRP CO[C@@H](C)C[NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001486002362 918294353 /nfs/dbraw/zinc/29/43/53/918294353.db2.gz QHOKZSQBTMQAND-RYUDHWBXSA-N 2 0 287.404 -0.428 20 0 CBADRP C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CC[NH+](C)C ZINC001486084939 918359636 /nfs/dbraw/zinc/35/96/36/918359636.db2.gz MZYVWGZQMTVZGV-NXEZZACHSA-N 2 0 256.350 -0.998 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CCO)CN1C(=O)CCC[NH+](C)C ZINC001486122611 918372421 /nfs/dbraw/zinc/37/24/21/918372421.db2.gz SOKYVRLYYFDVBK-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[C@@H](C(=O)N(C)C1CC([NH2+]CCO)C1)[NH+](C)C ZINC001486480582 918470429 /nfs/dbraw/zinc/47/04/29/918470429.db2.gz KORFADMBSMCBJB-MCIGGMRASA-N 2 0 257.378 -0.102 20 0 CBADRP CC[C@H]([NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001486475261 918471163 /nfs/dbraw/zinc/47/11/63/918471163.db2.gz GMMIUFUAPNIELS-MCIGGMRASA-N 2 0 284.404 -0.219 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001488949383 918781884 /nfs/dbraw/zinc/78/18/84/918781884.db2.gz QUJFECYOKYMTMB-YNEHKIRRSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001490213035 918869002 /nfs/dbraw/zinc/86/90/02/918869002.db2.gz BFTNSJOFAAQBGC-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001490394467 918901821 /nfs/dbraw/zinc/90/18/21/918901821.db2.gz VVNMIKZYLFFRHZ-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCCN1CC[NH+](CCO)CC1 ZINC001490467083 918910282 /nfs/dbraw/zinc/91/02/82/918910282.db2.gz VVLYIJLAZIKLED-AWEZNQCLSA-N 2 0 298.431 -0.803 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCN1CC[NH+](CCO)CC1 ZINC001490494795 918918749 /nfs/dbraw/zinc/91/87/49/918918749.db2.gz NMZSSUDSFDAXBF-CQSZACIVSA-N 2 0 298.431 -0.803 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCN2CC[NH+](CCO)CC2)C1 ZINC001490504526 918919486 /nfs/dbraw/zinc/91/94/86/918919486.db2.gz AXYWWCYQZYTCHS-AWEZNQCLSA-N 2 0 298.431 -0.946 20 0 CBADRP CN1CC[C@@H]([NH2+][C@@H](CNC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001490699299 918959075 /nfs/dbraw/zinc/95/90/75/918959075.db2.gz DIJSYOTZQBBPAL-OLZOCXBDSA-N 2 0 296.415 -0.347 20 0 CBADRP CN1CC[C@H]([NH2+][C@@H](CNC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001490699301 918959349 /nfs/dbraw/zinc/95/93/49/918959349.db2.gz DIJSYOTZQBBPAL-STQMWFEESA-N 2 0 296.415 -0.347 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001490751588 918968302 /nfs/dbraw/zinc/96/83/02/918968302.db2.gz HDFZEPWFGJHHAR-STQMWFEESA-N 2 0 296.415 -0.264 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001490739704 918969714 /nfs/dbraw/zinc/96/97/14/918969714.db2.gz KLHPCABRPOOSHQ-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001490922116 918989665 /nfs/dbraw/zinc/98/96/65/918989665.db2.gz MEHZRVKRTMOWFC-JHJVBQTASA-N 2 0 296.415 -0.156 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCCO)C1 ZINC001490949654 918993409 /nfs/dbraw/zinc/99/34/09/918993409.db2.gz OFIKEPFRJNEZTH-HAQNSBGRSA-N 2 0 257.378 -0.053 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001490939970 918993571 /nfs/dbraw/zinc/99/35/71/918993571.db2.gz CSUVULRIBLXLDR-GMTAPVOTSA-N 2 0 270.377 -0.561 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1)C(N)=O ZINC001491080500 919025625 /nfs/dbraw/zinc/02/56/25/919025625.db2.gz OQFQEEWSOKGNKD-GRYCIOLGSA-N 2 0 284.404 -0.173 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001491178329 919068248 /nfs/dbraw/zinc/06/82/48/919068248.db2.gz CVRDUVJYWFWHTC-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N(C)C ZINC001491413606 919145608 /nfs/dbraw/zinc/14/56/08/919145608.db2.gz FLUJXQXSYVMZHL-MNOVXSKESA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001491557288 919201713 /nfs/dbraw/zinc/20/17/13/919201713.db2.gz BYANQAYNINVKGH-AVGNSLFASA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H](C)C(N)=O ZINC001491565775 919206168 /nfs/dbraw/zinc/20/61/68/919206168.db2.gz QBMSCJVUZOJGIA-ZJUUUORDSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccn(C)n1 ZINC001491674795 919252003 /nfs/dbraw/zinc/25/20/03/919252003.db2.gz WJEPSCDRSRMDJP-NWDGAFQWSA-N 2 0 279.388 -0.034 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCCNC1=O ZINC001491684565 919253167 /nfs/dbraw/zinc/25/31/67/919253167.db2.gz WOCUVFKYZPVXLV-NWDGAFQWSA-N 2 0 284.404 -0.301 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC)C1 ZINC001491849702 919293014 /nfs/dbraw/zinc/29/30/14/919293014.db2.gz KQMFAPYFNOYLOJ-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001492078805 919318310 /nfs/dbraw/zinc/31/83/10/919318310.db2.gz WLVWCFMSWNYZFX-SNVBAGLBSA-N 2 0 298.391 -0.956 20 0 CBADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1cnn(C)n1 ZINC001492077257 919319521 /nfs/dbraw/zinc/31/95/21/919319521.db2.gz CAKMPRORZXYOAD-LLVKDONJSA-N 2 0 282.392 -0.249 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC[N@H+](C)CCn2cncn2)CC1 ZINC001492388595 919406773 /nfs/dbraw/zinc/40/67/73/919406773.db2.gz GBXUYMAAVCMTHM-UHFFFAOYSA-N 2 0 294.403 -0.332 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001493059063 919475594 /nfs/dbraw/zinc/47/55/94/919475594.db2.gz VEAFKGPVFIGGBQ-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493232587 919508418 /nfs/dbraw/zinc/50/84/18/919508418.db2.gz GCISHMXTVOMGEX-MNOVXSKESA-N 2 0 270.377 -0.750 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001493236935 919510225 /nfs/dbraw/zinc/51/02/25/919510225.db2.gz OCQVLQCIEOERMP-STQMWFEESA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001493262309 919515929 /nfs/dbraw/zinc/51/59/29/919515929.db2.gz FQMUHJRPYKXZRO-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001493551938 919577048 /nfs/dbraw/zinc/57/70/48/919577048.db2.gz VIXWMSPQXZYZCH-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001493549297 919579405 /nfs/dbraw/zinc/57/94/05/919579405.db2.gz FSZYURPCDYEOQF-CYBMUJFWSA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001493549058 919579567 /nfs/dbraw/zinc/57/95/67/919579567.db2.gz CKLSUCXHPQMHQI-CMPLNLGQSA-N 2 0 282.388 -0.750 20 0 CBADRP COC[C@@H](O)C[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001493575250 919580487 /nfs/dbraw/zinc/58/04/87/919580487.db2.gz WIRSSBWVWWUONY-LBPRGKRZSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@H](O)C[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001493575082 919581540 /nfs/dbraw/zinc/58/15/40/919581540.db2.gz RZAVBOYGKWDOSH-NSHDSACASA-N 2 0 257.378 -0.101 20 0 CBADRP CN(CC[NH2+]CC(=O)NC1CC1)C(=O)C[NH+]1CCCC1 ZINC001493793758 919619590 /nfs/dbraw/zinc/61/95/90/919619590.db2.gz LQTIQKPQHIHWEC-UHFFFAOYSA-N 2 0 282.388 -0.591 20 0 CBADRP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)C[NH+]1CCCC1 ZINC001493793894 919620474 /nfs/dbraw/zinc/62/04/74/919620474.db2.gz OLGXPSDSKIMZNF-GFCCVEGCSA-N 2 0 282.388 -0.639 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001494141532 919661612 /nfs/dbraw/zinc/66/16/12/919661612.db2.gz NFKKJLKFPXUDDG-OLZOCXBDSA-N 2 0 296.415 -0.264 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001494141534 919661657 /nfs/dbraw/zinc/66/16/57/919661657.db2.gz NFKKJLKFPXUDDG-QWHCGFSZSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC1C[NH+](CCO)C1 ZINC001494557063 919733254 /nfs/dbraw/zinc/73/32/54/919733254.db2.gz DGHFQCVLLOJKRF-GFCCVEGCSA-N 2 0 275.368 -0.293 20 0 CBADRP C[NH+](C)CCCC(=O)NCC1C[NH+](CCn2cncn2)C1 ZINC001494586230 919746304 /nfs/dbraw/zinc/74/63/04/919746304.db2.gz UKHMOMHCVQOJOT-UHFFFAOYSA-N 2 0 294.403 -0.332 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+](C[C@@H](C)O)C1 ZINC001494633803 919757322 /nfs/dbraw/zinc/75/73/22/919757322.db2.gz UWHMXTOVMRWMSF-LLVKDONJSA-N 2 0 257.378 -0.245 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CCO)C2)CCC1 ZINC001494758657 919786664 /nfs/dbraw/zinc/78/66/64/919786664.db2.gz UCCQOIQLIOWIPK-LLVKDONJSA-N 2 0 255.362 -0.347 20 0 CBADRP CN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](CCO)C1 ZINC001494841452 919804066 /nfs/dbraw/zinc/80/40/66/919804066.db2.gz HTOWNNMLAMZBEI-LBPRGKRZSA-N 2 0 257.378 -0.147 20 0 CBADRP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CCO)C1 ZINC001494924534 919813966 /nfs/dbraw/zinc/81/39/66/919813966.db2.gz LZWUWYZPLVKSPD-CYBMUJFWSA-N 2 0 269.389 -0.003 20 0 CBADRP NC(=O)C[NH2+]CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001495445290 919894066 /nfs/dbraw/zinc/89/40/66/919894066.db2.gz MPMGYZPTGHTTFB-UHFFFAOYSA-N 2 0 296.415 -0.214 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001495783605 919940530 /nfs/dbraw/zinc/94/05/30/919940530.db2.gz BHHSRTOGWOHFDU-NWDGAFQWSA-N 2 0 296.415 -0.441 20 0 CBADRP CN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)C[NH+]1CCCC1 ZINC001495912108 919986123 /nfs/dbraw/zinc/98/61/23/919986123.db2.gz RNMMUQGXMXTPCS-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001496150293 920033307 /nfs/dbraw/zinc/03/33/07/920033307.db2.gz PPNJFLZMSNLSAK-WCQYABFASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001496146184 920034186 /nfs/dbraw/zinc/03/41/86/920034186.db2.gz XUTQBYZRTYBZGM-WDEREUQCSA-N 2 0 284.404 -0.362 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001496149917 920034763 /nfs/dbraw/zinc/03/47/63/920034763.db2.gz OXKJGVIBHGMJQL-SNVBAGLBSA-N 2 0 258.366 -0.879 20 0 CBADRP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001496260669 920052721 /nfs/dbraw/zinc/05/27/21/920052721.db2.gz CCMQPIAPEGAGRP-NEPJUHHUSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001497092652 920246000 /nfs/dbraw/zinc/24/60/00/920246000.db2.gz TXONNXMMSKCZNW-GFCCVEGCSA-N 2 0 269.389 -0.195 20 0 CBADRP CC[C@H]([NH2+]CC[C@H](C)NC(=O)C[NH+]1CCCC1)C(N)=O ZINC001497321837 920280043 /nfs/dbraw/zinc/28/00/43/920280043.db2.gz GXOKNSMELZEDBB-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](CC[NH2+]Cc1nncn1C)NC(=O)C[NH+]1CCCC1 ZINC001497324231 920283768 /nfs/dbraw/zinc/28/37/68/920283768.db2.gz SMGHMSQCXVLTQD-LBPRGKRZSA-N 2 0 294.403 -0.105 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001497362763 920292040 /nfs/dbraw/zinc/29/20/40/920292040.db2.gz UEWPZWMBGNRGSW-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CCN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001497362764 920292114 /nfs/dbraw/zinc/29/21/14/920292114.db2.gz UEWPZWMBGNRGSW-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CCN(CC[NH2+]CCCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001497361331 920292602 /nfs/dbraw/zinc/29/26/02/920292602.db2.gz CMUMOIXIHUYMLD-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP CCN(CC[NH2+]CCn1cncn1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001497495287 920312587 /nfs/dbraw/zinc/31/25/87/920312587.db2.gz CHYAAHJQTQLSGD-ZDUSSCGKSA-N 2 0 294.403 -0.332 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001497600668 920350723 /nfs/dbraw/zinc/35/07/23/920350723.db2.gz GVIPRERZVCGRSQ-XRMAHGQMSA-N 2 0 298.431 -0.031 20 0 CBADRP C[C@H](O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001497650078 920356722 /nfs/dbraw/zinc/35/67/22/920356722.db2.gz NNPWIWQCXZOUFU-HEKLCECKSA-N 2 0 255.362 -0.277 20 0 CBADRP CCN1CC[C@H]([NH2+]C/C=C/CNC(=O)CC[NH+](C)C)C1=O ZINC001497676304 920368497 /nfs/dbraw/zinc/36/84/97/920368497.db2.gz XNIXNYGAFJGVFJ-GFUIURDCSA-N 2 0 296.415 -0.179 20 0 CBADRP CC[C@H]([NH2+]C/C=C\CNC(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001497729710 920375487 /nfs/dbraw/zinc/37/54/87/920375487.db2.gz HVDJULYCJVBXAJ-CIUCYMIDSA-N 2 0 296.415 -0.146 20 0 CBADRP CCn1nncc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001497798635 920388446 /nfs/dbraw/zinc/38/84/46/920388446.db2.gz ZVBXLLAVQZGODW-YPMHNXCESA-N 2 0 294.403 -0.014 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497817688 920404083 /nfs/dbraw/zinc/40/40/83/920404083.db2.gz SUCFSBRGLQEROT-DGCLKSJQSA-N 2 0 296.415 -0.489 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001497833734 920406680 /nfs/dbraw/zinc/40/66/80/920406680.db2.gz RCVKHOYDSHSKPI-UTUOFQBUSA-N 2 0 286.420 -0.199 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001497877749 920414494 /nfs/dbraw/zinc/41/44/94/920414494.db2.gz PPARWTBHMJUGTJ-IJLUTSLNSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001497877748 920415479 /nfs/dbraw/zinc/41/54/79/920415479.db2.gz PPARWTBHMJUGTJ-GRYCIOLGSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H](C[NH2+]CCCO)NC(=O)C1CC[NH+](C)CC1 ZINC001498109122 920482312 /nfs/dbraw/zinc/48/23/12/920482312.db2.gz IXNRARQTYZGAEV-NSHDSACASA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@H](C(=O)N[C@@H](C)C[NH2+]CC(N)=O)[NH+]1CCCCCC1 ZINC001498133672 920493791 /nfs/dbraw/zinc/49/37/91/920493791.db2.gz YFAXRZZBCXOJOT-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[NH+](CC)CC(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001498195393 920514438 /nfs/dbraw/zinc/51/44/38/920514438.db2.gz KXGPAFCMGFZNSJ-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001498390292 920573871 /nfs/dbraw/zinc/57/38/71/920573871.db2.gz FKLQERDDVCRFNX-UHFFFAOYSA-N 2 0 284.404 -0.393 20 0 CBADRP COC[C@H](O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001498525966 920603232 /nfs/dbraw/zinc/60/32/32/920603232.db2.gz IFVPHALTRPRPKJ-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CN(CCC[NH2+]CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001498550341 920610687 /nfs/dbraw/zinc/61/06/87/920610687.db2.gz RLILQYWDADDUDB-CYBMUJFWSA-N 2 0 269.389 -0.241 20 0 CBADRP CC[C@H](C(=O)N(C)CCC[NH2+][C@@H](C)C(=O)NC)[NH+](C)C ZINC001498581232 920613658 /nfs/dbraw/zinc/61/36/58/920613658.db2.gz CXAZGDLJQIRSMB-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001498758195 920635827 /nfs/dbraw/zinc/63/58/27/920635827.db2.gz GUYROHGLPOMQDL-RTXFEEFZSA-N 2 0 296.415 -0.443 20 0 CBADRP C[NH+]1CCC(CC(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)CC1 ZINC001498832987 920643924 /nfs/dbraw/zinc/64/39/24/920643924.db2.gz SBGDTMBRKASFHK-ZDUSSCGKSA-N 2 0 296.415 -0.312 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CCO)C1CC1 ZINC001498878253 920652691 /nfs/dbraw/zinc/65/26/91/920652691.db2.gz ZQMSOZXZRSIFJL-GFCCVEGCSA-N 2 0 257.378 -0.197 20 0 CBADRP CCCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001499183643 920715933 /nfs/dbraw/zinc/71/59/33/920715933.db2.gz GKWKIWRTVKCABN-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP CN(C)C(=O)C[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001499248688 920723978 /nfs/dbraw/zinc/72/39/78/920723978.db2.gz JCOUOITXTOTYLG-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001499448841 920747204 /nfs/dbraw/zinc/74/72/04/920747204.db2.gz UWCMGKONGFCCHR-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001499896462 920783436 /nfs/dbraw/zinc/78/34/36/920783436.db2.gz KWVNEAKRPRYZGF-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP CN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)C1=O ZINC001500258730 920824150 /nfs/dbraw/zinc/82/41/50/920824150.db2.gz WNRDUYPKVSGEGP-IUODEOHRSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001500762825 920877395 /nfs/dbraw/zinc/87/73/95/920877395.db2.gz PVOFMOQZDBHNLY-GXTWGEPZSA-N 2 0 285.388 -0.984 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H](CC[NH2+]CCO)C1 ZINC001501612013 921046010 /nfs/dbraw/zinc/04/60/10/921046010.db2.gz OGWIQMPTOYNNGI-GFCCVEGCSA-N 2 0 257.378 -0.241 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CCCO)CN1C(=O)CC[NH+](C)C ZINC001507323510 921810255 /nfs/dbraw/zinc/81/02/55/921810255.db2.gz XADGLSLRDMACSX-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001507472462 921839594 /nfs/dbraw/zinc/83/95/94/921839594.db2.gz VBXLSUONRJIOTJ-RYUDHWBXSA-N 2 0 257.378 -0.102 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001507490222 921850846 /nfs/dbraw/zinc/85/08/46/921850846.db2.gz PXNFBTWJQKDURR-OLZOCXBDSA-N 2 0 299.415 -0.596 20 0 CBADRP CO[C@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001507540621 921863707 /nfs/dbraw/zinc/86/37/07/921863707.db2.gz FWRDGKQZVOGPQI-CHWSQXEVSA-N 2 0 299.415 -0.474 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001507726797 921893009 /nfs/dbraw/zinc/89/30/09/921893009.db2.gz NBVLFVUJPUEJTN-CHWSQXEVSA-N 2 0 287.404 -0.664 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H](C[NH2+][C@@H]1CCNC1=O)C(C)(C)C ZINC001508016214 921904907 /nfs/dbraw/zinc/90/49/07/921904907.db2.gz OJZWYLDMHFYPOO-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H]([NH2+]C1CC(N(C)C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001508134848 921918250 /nfs/dbraw/zinc/91/82/50/921918250.db2.gz NNYMIOQUVRBWJT-UNXYVOJBSA-N 2 0 284.404 -0.219 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001514593225 922204350 /nfs/dbraw/zinc/20/43/50/922204350.db2.gz DTHCTJNHJLHYCO-LLVKDONJSA-N 2 0 255.362 -0.225 20 0 CBADRP [NH3+]CCc1ccc2c(c1)CCCN2C(=O)[C@H]([NH3+])CO ZINC001514582800 922204933 /nfs/dbraw/zinc/20/49/33/922204933.db2.gz WCJVYJUPCWRXSW-GFCCVEGCSA-N 2 0 263.341 -0.213 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC001514597779 922208376 /nfs/dbraw/zinc/20/83/76/922208376.db2.gz UCARBEUOJNUAKQ-YUMQZZPRSA-N 2 0 251.277 -0.584 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CC(F)F ZINC001514597609 922209949 /nfs/dbraw/zinc/20/99/49/922209949.db2.gz UCARBEUOJNUAKQ-JGVFFNPUSA-N 2 0 251.277 -0.584 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(c2nccnc2C[NH3+])[C@@H](C)C1 ZINC001515658623 922242300 /nfs/dbraw/zinc/24/23/00/922242300.db2.gz JMWKTCBXPNGELL-QWRGUYRKSA-N 2 0 265.361 -0.173 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)[C@H]1C[NH2+]CCN1C ZINC001521462383 922357798 /nfs/dbraw/zinc/35/77/98/922357798.db2.gz FFEQJVNGKQLMTN-GFCCVEGCSA-N 2 0 256.394 -0.262 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001521462384 922358041 /nfs/dbraw/zinc/35/80/41/922358041.db2.gz FFEQJVNGKQLMTN-LBPRGKRZSA-N 2 0 256.394 -0.262 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001521495798 922359973 /nfs/dbraw/zinc/35/99/73/922359973.db2.gz LGEXKXQHKQMIPC-OLZOCXBDSA-N 2 0 296.415 -0.358 20 0 CBADRP O=C(NCC1C[NH2+]C1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001521508415 922362038 /nfs/dbraw/zinc/36/20/38/922362038.db2.gz VCYJIBQAUYQHDW-LBPRGKRZSA-N 2 0 252.318 -0.780 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001521495800 922362774 /nfs/dbraw/zinc/36/27/74/922362774.db2.gz LGEXKXQHKQMIPC-STQMWFEESA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC001521513928 922365953 /nfs/dbraw/zinc/36/59/53/922365953.db2.gz ZSMJPMDCAYCQRP-WZRBSPASSA-N 2 0 255.362 -0.300 20 0 CBADRP [NH3+]CC1(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC(O)C1 ZINC001521513793 922366640 /nfs/dbraw/zinc/36/66/40/922366640.db2.gz YAZRIACZPHIGIO-BLMOIABJSA-N 2 0 267.373 -0.328 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC001521519135 922367005 /nfs/dbraw/zinc/36/70/05/922367005.db2.gz OHPDRYSTENXFQI-IUODEOHRSA-N 2 0 294.399 -0.604 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC001521519137 922367090 /nfs/dbraw/zinc/36/70/90/922367090.db2.gz OHPDRYSTENXFQI-SWLSCSKDSA-N 2 0 294.399 -0.604 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001521566574 922369840 /nfs/dbraw/zinc/36/98/40/922369840.db2.gz ODOQBQRSXKJEPG-FRRDWIJNSA-N 2 0 269.389 -0.122 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001521741283 922377539 /nfs/dbraw/zinc/37/75/39/922377539.db2.gz XCBVGAKEHWKJLM-SRVKXCTJSA-N 2 0 269.389 -0.006 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCN1C[C@H]2C ZINC001521899196 922386546 /nfs/dbraw/zinc/38/65/46/922386546.db2.gz UBDKJJJIAREGDI-UPJWGTAASA-N 2 0 266.389 -0.415 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)c1cccc2c1C[NH2+]C2 ZINC001522248515 922402742 /nfs/dbraw/zinc/40/27/42/922402742.db2.gz IUTKIHLONFQQPA-NSHDSACASA-N 2 0 263.341 -0.058 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC001522247638 922404082 /nfs/dbraw/zinc/40/40/82/922404082.db2.gz DJZSKRIUVGOQPM-TUAOUCFPSA-N 2 0 255.362 -0.444 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001522250083 922404184 /nfs/dbraw/zinc/40/41/84/922404184.db2.gz NUNMLNFMWKBAGG-AXFHLTTASA-N 2 0 253.346 -0.378 20 0 CBADRP COCCC1(NC(=O)[C@@H]2C[C@@H]2C[NH3+])CC[NH2+]CC1 ZINC001522356947 922407091 /nfs/dbraw/zinc/40/70/91/922407091.db2.gz CVBWREIQDUAYMU-GHMZBOCLSA-N 2 0 255.362 -0.144 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)C1=O ZINC001522405547 922409356 /nfs/dbraw/zinc/40/93/56/922409356.db2.gz IJQMOBHSEHFGOS-JMSVASOKSA-N 2 0 294.399 -0.416 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001522360773 922409891 /nfs/dbraw/zinc/40/98/91/922409891.db2.gz ZFEFZVAOGWKQQL-YFKTTZPYSA-N 2 0 255.362 -0.444 20 0 CBADRP [NH3+]CCNCC(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC001522359532 922410420 /nfs/dbraw/zinc/41/04/20/922410420.db2.gz UIWYRZVECTZPFJ-NSHDSACASA-N 2 0 262.357 -0.301 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001522360756 922410463 /nfs/dbraw/zinc/41/04/63/922410463.db2.gz ZFEFZVAOGWKQQL-QCNOEVLYSA-N 2 0 255.362 -0.444 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC001522404884 922410907 /nfs/dbraw/zinc/41/09/07/922410907.db2.gz CXSXKSFGAAUNIT-BWZBUEFSSA-N 2 0 269.267 -0.708 20 0 CBADRP [NH3+]C1(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001522564945 922468923 /nfs/dbraw/zinc/46/89/23/922468923.db2.gz WUICOKHIMJZWCU-SNVBAGLBSA-N 2 0 253.346 -0.247 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C[C@@]2(O)CCC[NH2+]C2)CC[N@@H+]1C ZINC001522857760 922537096 /nfs/dbraw/zinc/53/70/96/922537096.db2.gz NQURUGPCUTYLLR-MDZLAQPJSA-N 2 0 255.362 -0.300 20 0 CBADRP CC(C)[C@H](C(=O)N1CCNCC[NH2+]CC1)[C@@H](C)[NH3+] ZINC001522997726 922555453 /nfs/dbraw/zinc/55/54/53/922555453.db2.gz FPHFFGOOAFUNBM-NEPJUHHUSA-N 2 0 256.394 -0.373 20 0 CBADRP [NH3+][C@H]1CC[C@@H](C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001522983460 922556487 /nfs/dbraw/zinc/55/64/87/922556487.db2.gz JJEMLIOTEZESTH-TXEJJXNPSA-N 2 0 254.378 -0.475 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCNCC[NH2+]CC1 ZINC001522997324 922556556 /nfs/dbraw/zinc/55/65/56/922556556.db2.gz BMCAULAHUYGZOQ-CHWSQXEVSA-N 2 0 268.405 -0.119 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCNCC[NH2+]CC1)[C@H](C)[NH3+] ZINC001522997727 922556652 /nfs/dbraw/zinc/55/66/52/922556652.db2.gz FPHFFGOOAFUNBM-NWDGAFQWSA-N 2 0 256.394 -0.373 20 0 CBADRP COc1cccc([C@@H]([NH3+])C(=O)N2CCNCC[NH2+]CC2)c1 ZINC001522997686 922556870 /nfs/dbraw/zinc/55/68/70/922556870.db2.gz DVQUBBZGVDULQT-CQSZACIVSA-N 2 0 292.383 -0.284 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC001523009622 922557822 /nfs/dbraw/zinc/55/78/22/922557822.db2.gz HPQHDXFAEGYHAS-NQBHXWOUSA-N 2 0 255.362 -0.313 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC001523009867 922558439 /nfs/dbraw/zinc/55/84/39/922558439.db2.gz KKSKMNLVBGINND-YPMHNXCESA-N 2 0 255.362 -0.360 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001523010435 922558657 /nfs/dbraw/zinc/55/86/57/922558657.db2.gz REGFANFUIFWPBO-MDZLAQPJSA-N 2 0 255.362 -0.313 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC001523010173 922559021 /nfs/dbraw/zinc/55/90/21/922559021.db2.gz NSAXPVNTBKVSSH-MPPDQPJWSA-N 2 0 253.346 -0.846 20 0 CBADRP O=C([C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1CCC2(CC1)C[NH2+]CCO2 ZINC001523168479 922574835 /nfs/dbraw/zinc/57/48/35/922574835.db2.gz DFSMGQWPHMAPPG-SDDRHHMPSA-N 2 0 265.357 -0.425 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C[C@H](O)C[NH2+]1 ZINC001523228232 922575737 /nfs/dbraw/zinc/57/57/37/922575737.db2.gz DHXCFRUUSFQBMO-IACUBPJLSA-N 2 0 267.373 -0.156 20 0 CBADRP CN(C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21)C1(C[NH3+])CCOCC1 ZINC001523429113 922589471 /nfs/dbraw/zinc/58/94/71/922589471.db2.gz YRDIJAOYRLMVNN-WOPDTQHZSA-N 2 0 267.373 -0.192 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)nn1 ZINC001523508479 922595659 /nfs/dbraw/zinc/59/56/59/922595659.db2.gz SMMSZHPGGRGQOB-HBNTYKKESA-N 2 0 278.360 -0.360 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001523482823 922596840 /nfs/dbraw/zinc/59/68/40/922596840.db2.gz WZHNDYZGUWJCLM-ZIAGYGMSSA-N 2 0 282.432 -0.062 20 0 CBADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[C@@H]1C[NH2+]CCO1)C2 ZINC001523551749 922597115 /nfs/dbraw/zinc/59/71/15/922597115.db2.gz UZRXLRYGOZXPMB-FIQHERPVSA-N 2 0 253.346 -0.297 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001523622860 922603268 /nfs/dbraw/zinc/60/32/68/922603268.db2.gz HCDVCSGINPQWJA-LOWVWBTDSA-N 2 0 254.378 -0.476 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001524111874 922620378 /nfs/dbraw/zinc/62/03/78/922620378.db2.gz AGHJYRCPJNPRGR-AAEUAGOBSA-N 2 0 255.362 -0.443 20 0 CBADRP CN(C(=O)C[C@H]1CSCC[NH2+]1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001524119832 922621480 /nfs/dbraw/zinc/62/14/80/922621480.db2.gz KQTMFAKIRWANJH-UXCLJVHYSA-N 2 0 255.387 -0.242 20 0 CBADRP Cc1c(C(=O)N2C[C@H]([NH3+])C[C@@H]2C)nnn1[C@@H]1CC[NH2+]C1 ZINC001548464548 923354846 /nfs/dbraw/zinc/35/48/46/923354846.db2.gz UQHAOCVIKKWKKV-JMJZKYOTSA-N 2 0 278.360 -0.317 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001548553685 923377306 /nfs/dbraw/zinc/37/73/06/923377306.db2.gz YDKWLPGSPIUVAC-CQSZACIVSA-N 2 0 296.415 -0.787 20 0 CBADRP [NH3+]CC[C@H](NC(=O)C1=NOC2(C1)CC[NH2+]CC2)C(F)F ZINC001548557457 923378185 /nfs/dbraw/zinc/37/81/85/923378185.db2.gz WBBAQDBCBSSEQV-QMMMGPOBSA-N 2 0 290.314 -0.016 20 0 CBADRP C[NH2+]C1CC(C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])C1 ZINC001548555052 923378743 /nfs/dbraw/zinc/37/87/43/923378743.db2.gz IOBHDKACDLIFCD-KIDURHIOSA-N 2 0 255.362 -0.051 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC001548557205 923378779 /nfs/dbraw/zinc/37/87/79/923378779.db2.gz SYUDDWOTVHAGFN-KOLCDFICSA-N 2 0 277.315 -0.396 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1CCO2)C(F)F ZINC001548556344 923379021 /nfs/dbraw/zinc/37/90/21/923379021.db2.gz JSJBCSMVBFNJKX-XLDPMVHQSA-N 2 0 263.288 -0.536 20 0 CBADRP O=C(C1=NO[C@@]2(C1)CCC[NH2+]C2)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001548557778 923379037 /nfs/dbraw/zinc/37/90/37/923379037.db2.gz CRTCRPKXMGLCHI-SCDSUCTJSA-N 2 0 278.356 -0.295 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC001548554742 923379270 /nfs/dbraw/zinc/37/92/70/923379270.db2.gz FMRIYLKTISWXHH-ZDUSSCGKSA-N 2 0 275.356 -0.431 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001548557443 923379303 /nfs/dbraw/zinc/37/93/03/923379303.db2.gz NDJZHZRAOIKTMW-PWSUYJOCSA-N 2 0 280.372 -0.001 20 0 CBADRP COc1ccccc1[C@@H]1CNCCN1C(=O)C[C@H](O)C[NH3+] ZINC001548557628 923380740 /nfs/dbraw/zinc/38/07/40/923380740.db2.gz JEPYSZAGTSKVDC-AAEUAGOBSA-N 2 0 293.367 -0.122 20 0 CBADRP O=C(N1C[C@H]2C[NH2+]C[C@H]2C1)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548556683 923380774 /nfs/dbraw/zinc/38/07/74/923380774.db2.gz CFZRLLVAWXJSPQ-XZUYRWCXSA-N 2 0 251.330 -0.957 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001548557838 923381500 /nfs/dbraw/zinc/38/15/00/923381500.db2.gz NVGJIZGSRXJKNV-QKCSRTOESA-N 2 0 280.372 -0.001 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC001548558658 923381672 /nfs/dbraw/zinc/38/16/72/923381672.db2.gz XKYHJSQRHFOQNQ-CQSZACIVSA-N 2 0 274.368 -0.190 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001548558698 923382788 /nfs/dbraw/zinc/38/27/88/923382788.db2.gz ZECWCNNHFXKKTR-ZDUSSCGKSA-N 2 0 280.416 -0.118 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001548557841 923383147 /nfs/dbraw/zinc/38/31/47/923383147.db2.gz NVGJIZGSRXJKNV-SCDSUCTJSA-N 2 0 280.372 -0.001 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001548558803 923384584 /nfs/dbraw/zinc/38/45/84/923384584.db2.gz KHCKETFHWUEBKD-SMDDNHRTSA-N 2 0 296.371 -0.620 20 0 CBADRP [NH3+]C[C@]1(C(=O)NCC[C@@H]2CSCC[NH2+]2)CCCOC1 ZINC001548565999 923389344 /nfs/dbraw/zinc/38/93/44/923389344.db2.gz RNDIJLKFEZMPBP-DGCLKSJQSA-N 2 0 287.429 -0.047 20 0 CBADRP [NH3+]C[C@@]1(C(=O)NCC[C@H]2CSCC[NH2+]2)CCCOC1 ZINC001548565998 923391523 /nfs/dbraw/zinc/39/15/23/923391523.db2.gz RNDIJLKFEZMPBP-AAEUAGOBSA-N 2 0 287.429 -0.047 20 0 CBADRP CC1(C)CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC2(C[NH2+]C2)O1 ZINC001548575783 923399105 /nfs/dbraw/zinc/39/91/05/923399105.db2.gz ITDAHJUWYKVSNZ-SECBINFHSA-N 2 0 282.344 -0.931 20 0 CBADRP CC1(C)CN(C(=O)C[NH2+]CC2CC2)CC2(C[NH2+]C2)O1 ZINC001548576230 923399852 /nfs/dbraw/zinc/39/98/52/923399852.db2.gz RYQBCDDOIQFOTA-UHFFFAOYSA-N 2 0 267.373 -0.035 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC001548576185 923400693 /nfs/dbraw/zinc/40/06/93/923400693.db2.gz MSAWOHGURORQMG-CYBMUJFWSA-N 2 0 290.367 -0.226 20 0 CBADRP CC1(C)CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC2(C[NH2+]C2)O1 ZINC001548575834 923400825 /nfs/dbraw/zinc/40/08/25/923400825.db2.gz JKMZXEIOZYBREV-MNOVXSKESA-N 2 0 283.372 -0.670 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548575579 923401445 /nfs/dbraw/zinc/40/14/45/923401445.db2.gz FTGCQZPEPSQHGS-QWRGUYRKSA-N 2 0 285.388 -0.818 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001548587549 923406781 /nfs/dbraw/zinc/40/67/81/923406781.db2.gz QPMGSPQQILWHJN-CYBMUJFWSA-N 2 0 297.399 -0.264 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH+]1CCCCC1 ZINC001548625880 923410294 /nfs/dbraw/zinc/41/02/94/923410294.db2.gz RJDUICWMPUWRFQ-ZIAGYGMSSA-N 2 0 280.416 -0.023 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001548623845 923410801 /nfs/dbraw/zinc/41/08/01/923410801.db2.gz HMGZMQMAAZYAST-KBPBESRZSA-N 2 0 280.416 -0.073 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001548623847 923411165 /nfs/dbraw/zinc/41/11/65/923411165.db2.gz HMGZMQMAAZYAST-UONOGXRCSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC001548630671 923417599 /nfs/dbraw/zinc/41/75/99/923417599.db2.gz JZEVPQCFOVIBFF-UMVBOHGHSA-N 2 0 292.427 -0.025 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC[C@H]1C[NH+](C)C ZINC001548638124 923421944 /nfs/dbraw/zinc/42/19/44/923421944.db2.gz IASUYXWSIFTDNQ-HZSPNIEDSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C ZINC001548667430 923436141 /nfs/dbraw/zinc/43/61/41/923436141.db2.gz WBJLBEOHBVAIDB-DHMWGJHJSA-N 2 0 292.427 -0.026 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)CC[NH+](C)C1CC1 ZINC001548687840 923447810 /nfs/dbraw/zinc/44/78/10/923447810.db2.gz OWZFYXFDPQTMJS-GXTWGEPZSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC001548694726 923457397 /nfs/dbraw/zinc/45/73/97/923457397.db2.gz YZBZNQXJMHYGLS-STQMWFEESA-N 2 0 278.400 -0.461 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC1(C[NH+](C)C)CCC1 ZINC001548700209 923457447 /nfs/dbraw/zinc/45/74/47/923457447.db2.gz STDOAMMVBPBSSB-QWHCGFSZSA-N 2 0 280.416 -0.025 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC001548723060 923474443 /nfs/dbraw/zinc/47/44/43/923474443.db2.gz CJYQABMLLZXVLI-BYNSBNAKSA-N 2 0 292.427 -0.073 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC001548723063 923474570 /nfs/dbraw/zinc/47/45/70/923474570.db2.gz CJYQABMLLZXVLI-XQLPTFJDSA-N 2 0 292.427 -0.073 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC([NH+]2CCCC2)C1 ZINC001548726934 923478548 /nfs/dbraw/zinc/47/85/48/923478548.db2.gz AIKYZBNBARISAG-JSGCOSHPSA-N 2 0 278.400 -0.319 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C[NH+](C)C)C[C@@H]2[NH3+])cn1 ZINC001548946738 923514175 /nfs/dbraw/zinc/51/41/75/923514175.db2.gz GTSJOOSCWQKLJE-QWRGUYRKSA-N 2 0 251.334 -0.765 20 0 CBADRP CO[C@@H]1C[NH2+][C@H](C(=O)N2C[C@H]([NH3+])[C@H](c3cnn(C)c3)C2)C1 ZINC001548945884 923515111 /nfs/dbraw/zinc/51/51/11/923515111.db2.gz DEEUFDDATCOHEK-CYDGBPFRSA-N 2 0 293.371 -0.950 20 0 CBADRP CC(=O)N1CC[C@@]([NH3+])(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC001548939601 923516162 /nfs/dbraw/zinc/51/61/62/923516162.db2.gz VPDQOLFITVACQR-KGLIPLIRSA-N 2 0 280.372 -0.709 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@]3(F)CC[NH2+]C3)C[C@@H]2[NH3+])cn1 ZINC001549033388 923524940 /nfs/dbraw/zinc/52/49/40/923524940.db2.gz GDKOOKBJWZHWKW-GMXVVIOVSA-N 2 0 281.335 -0.625 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1c1ccc(F)cc1 ZINC001549042825 923526077 /nfs/dbraw/zinc/52/60/77/923526077.db2.gz DFJQLNKLPKJNHH-SYQHCUMBSA-N 2 0 293.342 -0.198 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@]3(F)CC[NH2+]C3)C[C@@H]2[NH3+])cn1 ZINC001549033389 923527464 /nfs/dbraw/zinc/52/74/64/923527464.db2.gz GDKOOKBJWZHWKW-GVXVVHGQSA-N 2 0 281.335 -0.625 20 0 CBADRP O=C(CN1CC[C@@]2(CCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC001549043998 923531243 /nfs/dbraw/zinc/53/12/43/923531243.db2.gz SRBQFMCUMHFFTO-ZDUSSCGKSA-N 2 0 252.362 -0.754 20 0 CBADRP COC1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC001549044217 923531657 /nfs/dbraw/zinc/53/16/57/923531657.db2.gz CCMRSLQMPAJMAJ-ZDUSSCGKSA-N 2 0 296.415 -0.739 20 0 CBADRP [NH3+]Cc1cc(C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)ccn1 ZINC001549045131 923533434 /nfs/dbraw/zinc/53/34/34/923533434.db2.gz UYRMURZIDLWJPN-QWHCGFSZSA-N 2 0 276.340 -0.257 20 0 CBADRP [NH3+]Cc1cc(C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)ccn1 ZINC001549045132 923533952 /nfs/dbraw/zinc/53/39/52/923533952.db2.gz UYRMURZIDLWJPN-STQMWFEESA-N 2 0 276.340 -0.257 20 0 CBADRP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549045021 923535975 /nfs/dbraw/zinc/53/59/75/923535975.db2.gz QDHFCGYNFGIWKE-XQQFMLRXSA-N 2 0 279.384 -0.035 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001549046347 923538921 /nfs/dbraw/zinc/53/89/21/923538921.db2.gz PQQCXXWECVAWMN-RNJOBUHISA-N 2 0 267.373 -0.443 20 0 CBADRP COC1(C(=O)NC[C@H]2C[NH2+]CCCO2)CC[NH2+]CC1 ZINC001549046114 923540414 /nfs/dbraw/zinc/54/04/14/923540414.db2.gz HUHREBVAEAKDHS-LLVKDONJSA-N 2 0 271.361 -0.750 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)C1CCOCC1 ZINC001549045500 923540425 /nfs/dbraw/zinc/54/04/25/923540425.db2.gz ATMLOXHBCVWBBG-KGLIPLIRSA-N 2 0 296.415 -0.754 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001549046346 923540452 /nfs/dbraw/zinc/54/04/52/923540452.db2.gz PQQCXXWECVAWMN-NDBYEHHHSA-N 2 0 267.373 -0.443 20 0 CBADRP O=C([C@H]1CC12CC[NH2+]CC2)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549045551 923541300 /nfs/dbraw/zinc/54/13/00/923541300.db2.gz DFTNWLWUHNPAMF-ZIAGYGMSSA-N 2 0 292.427 -0.118 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC001549046769 923542748 /nfs/dbraw/zinc/54/27/48/923542748.db2.gz DVUCWRFPUUBXDC-FRRDWIJNSA-N 2 0 281.400 -0.054 20 0 CBADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC001549047296 923544187 /nfs/dbraw/zinc/54/41/87/923544187.db2.gz NVTOUSIBJHEFQV-AAVRWANBSA-N 2 0 297.399 -0.546 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3CC[NH2+]C3)C2)nn1 ZINC001549047622 923545702 /nfs/dbraw/zinc/54/57/02/923545702.db2.gz UYMGAERWNFSZEM-JQWIXIFHSA-N 2 0 278.360 -0.490 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C(C)(C)C[NH3+])C[C@@H]2[NH3+])cn1 ZINC001549049026 923545965 /nfs/dbraw/zinc/54/59/65/923545965.db2.gz ALQVJVVLGUZNNE-QWRGUYRKSA-N 2 0 265.361 -0.342 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[NH2+]C3)C[C@H]2[NH3+])cn1 ZINC001549048435 923546755 /nfs/dbraw/zinc/54/67/55/923546755.db2.gz JORXSQGUPRWZKF-WCFLWFBJSA-N 2 0 277.372 -0.327 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)C[C@@H]2[NH3+])cn1 ZINC001549048012 923546905 /nfs/dbraw/zinc/54/69/05/923546905.db2.gz BVIBUUWMVXUFHI-SRVKXCTJSA-N 2 0 263.345 -0.575 20 0 CBADRP C[C@]1(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC[NH2+]C1 ZINC001549047685 923548153 /nfs/dbraw/zinc/54/81/53/923548153.db2.gz WKRSZCMKHSVKTC-JSGCOSHPSA-N 2 0 292.387 -0.100 20 0 CBADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)[C@@H]3C[NH2+]CCO3)CC2)C1 ZINC001549051179 923549043 /nfs/dbraw/zinc/54/90/43/923549043.db2.gz RRRPARTVUPMRMX-RDBSUJKOSA-N 2 0 297.399 -0.280 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@]3(C)CC[NH2+]C3)C[C@H]2[NH3+])cn1 ZINC001549050915 923549207 /nfs/dbraw/zinc/54/92/07/923549207.db2.gz QSPMCZKCQZWPHA-SCRDCRAPSA-N 2 0 277.372 -0.327 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C[C@@H]([NH3+])C3CC3)C[C@@H]2[NH3+])cn1 ZINC001549049706 923550725 /nfs/dbraw/zinc/55/07/25/923550725.db2.gz GSXKRJGKBUQKSL-XQQFMLRXSA-N 2 0 277.372 -0.199 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001549049641 923550842 /nfs/dbraw/zinc/55/08/42/923550842.db2.gz FFOCAXSUYLENFT-DLOVCJGASA-N 2 0 265.361 -0.471 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4C[C@@H]4[NH2+]3)C[C@@H]2[NH3+])cn1 ZINC001549050814 923550919 /nfs/dbraw/zinc/55/09/19/923550919.db2.gz OOKNQKQTOIIFLS-ALQCUDPJSA-N 2 0 275.356 -0.576 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCOCC2)CCCO1 ZINC001549050600 923551014 /nfs/dbraw/zinc/55/10/14/923551014.db2.gz OUNJXNMLQFVMLL-NEPJUHHUSA-N 2 0 271.361 -0.684 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549130261 923560885 /nfs/dbraw/zinc/56/08/85/923560885.db2.gz YKBDYVHPUYLLMT-CORIIIEPSA-N 2 0 296.415 -0.327 20 0 CBADRP CO[C@@H]1C[NH2+][C@H](C(=O)N2C[C@H]3CCC[C@@]3(C[NH3+])C2)C1 ZINC001549127368 923561601 /nfs/dbraw/zinc/56/16/01/923561601.db2.gz CXAXKIAQUQOVJN-OWTLIXCDSA-N 2 0 267.373 -0.049 20 0 CBADRP CO[C@@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3CCC[C@@]3(C[NH3+])C2)C1 ZINC001549127373 923561735 /nfs/dbraw/zinc/56/17/35/923561735.db2.gz CXAXKIAQUQOVJN-ZJQBRPOHSA-N 2 0 267.373 -0.049 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549171589 923567648 /nfs/dbraw/zinc/56/76/48/923567648.db2.gz APBZNDZMJSXLJS-KGLIPLIRSA-N 2 0 280.416 -0.118 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001549212744 923569776 /nfs/dbraw/zinc/56/97/76/923569776.db2.gz QBSHJRPAVOJGBR-ZRZGDYATSA-N 2 0 250.346 -0.401 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]C2)CCCO1 ZINC001549286999 923576919 /nfs/dbraw/zinc/57/69/19/923576919.db2.gz OQUJAAAJVHMYRM-VXGBXAGGSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549285998 923576930 /nfs/dbraw/zinc/57/69/30/923576930.db2.gz JBJPNMYZNIFBPK-YNEHKIRRSA-N 2 0 266.389 -0.380 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCCC[NH2+]C1 ZINC001549286902 923577864 /nfs/dbraw/zinc/57/78/64/923577864.db2.gz CXLSHLALWFPSCF-NEPJUHHUSA-N 2 0 255.362 -0.129 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001549293113 923579791 /nfs/dbraw/zinc/57/97/91/923579791.db2.gz RLAIWIVHSCJVNX-UHXUPSOCSA-N 2 0 267.373 -0.062 20 0 CBADRP O=C([C@@H]1CCCC[NH2+]C1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549292326 923582354 /nfs/dbraw/zinc/58/23/54/923582354.db2.gz AWBOHAUZGKZPTP-AGIUHOORSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001549292988 923582454 /nfs/dbraw/zinc/58/24/54/923582454.db2.gz GRPUOTHOKRIWJA-NWDGAFQWSA-N 2 0 280.376 -0.102 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)nn1 ZINC001549293745 923583476 /nfs/dbraw/zinc/58/34/76/923583476.db2.gz ZJNDTCLRVUIAPS-GWCFXTLKSA-N 2 0 278.360 -0.562 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001549294334 923583797 /nfs/dbraw/zinc/58/37/97/923583797.db2.gz XIGDWDZFQZYADJ-GHMZBOCLSA-N 2 0 293.371 -0.405 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]([NH3+])C1CCOCC1 ZINC001549298312 923584879 /nfs/dbraw/zinc/58/48/79/923584879.db2.gz LDXMHDSRBLRGGZ-DMLGSKKGSA-N 2 0 253.346 -0.310 20 0 CBADRP Cc1c(C(=O)NCC23CC(C2)C[NH2+]3)nnn1[C@@H]1CC[NH2+]C1 ZINC001549299818 923589210 /nfs/dbraw/zinc/58/92/10/923589210.db2.gz KLZLUTYPQZAJDY-IQLKVPPVSA-N 2 0 290.371 -0.397 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001549612759 923620661 /nfs/dbraw/zinc/62/06/61/923620661.db2.gz RKSSUNANCWPRSC-WOPDTQHZSA-N 2 0 270.377 -0.195 20 0 CBADRP C[NH+](C)CC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549731113 923632138 /nfs/dbraw/zinc/63/21/38/923632138.db2.gz LTRLPYCFKXNEFV-SMDDNHRTSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549731748 923632473 /nfs/dbraw/zinc/63/24/73/923632473.db2.gz OWTITQJZUCCFNV-BQSGVUBFSA-N 2 0 296.415 -0.267 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4C[C@@H]4[NH2+]3)C[C@H]2[NH3+])c1 ZINC001549734422 923632692 /nfs/dbraw/zinc/63/26/92/923632692.db2.gz CVUZYQYBBHVHBE-KNZXXDILSA-N 2 0 275.356 -0.576 20 0 CBADRP O=C(Nc1c[nH]nc1[C@@H]1CC[NH2+]C1)[C@@H]1C[NH2+]CCO1 ZINC001549728459 923632769 /nfs/dbraw/zinc/63/27/69/923632769.db2.gz ACACKZHBNVHWBT-SCZZXKLOSA-N 2 0 265.317 -0.587 20 0 CBADRP CCC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549734009 923632930 /nfs/dbraw/zinc/63/29/30/923632930.db2.gz CXJYIKLJLJXDRP-GARJFASQSA-N 2 0 265.361 -0.199 20 0 CBADRP C[C@H]([NH3+])C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549729044 923633311 /nfs/dbraw/zinc/63/33/11/923633311.db2.gz XXLCKHISFPJGPM-MKPLZMMCSA-N 2 0 268.361 -0.903 20 0 CBADRP CCC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549734006 923633368 /nfs/dbraw/zinc/63/33/68/923633368.db2.gz CXJYIKLJLJXDRP-DCAQKATOSA-N 2 0 265.361 -0.199 20 0 CBADRP CO[C@@H]1C[NH2+][C@H](C(=O)N2C[C@@H]([NH3+])[C@@H](c3cn(C)cn3)C2)C1 ZINC001549734223 923633400 /nfs/dbraw/zinc/63/34/00/923633400.db2.gz CCFBMLVCJRHOBD-YFKTTZPYSA-N 2 0 293.371 -0.950 20 0 CBADRP C[NH+](C)CC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549731108 923633744 /nfs/dbraw/zinc/63/37/44/923633744.db2.gz LTRLPYCFKXNEFV-FZMZJTMJSA-N 2 0 282.388 -0.689 20 0 CBADRP O=C(Nc1c[nH]nc1[C@H]1CC[NH2+]C1)[C@@H]1C[NH2+]CCO1 ZINC001549728463 923633935 /nfs/dbraw/zinc/63/39/35/923633935.db2.gz ACACKZHBNVHWBT-WPRPVWTQSA-N 2 0 265.317 -0.587 20 0 CBADRP CC[NH2+]CC(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549736232 923634997 /nfs/dbraw/zinc/63/49/97/923634997.db2.gz RBNDYMGFPIDUND-VHSXEESVSA-N 2 0 251.334 -0.717 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[NH2+]C3)C[C@H]2[NH3+])c1 ZINC001549736884 923635391 /nfs/dbraw/zinc/63/53/91/923635391.db2.gz YZWLZQWRGDHSBT-QJPTWQEYSA-N 2 0 277.372 -0.327 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)C(C)(C)[NH3+])C[C@H]2[NH3+])c1 ZINC001549735590 923635443 /nfs/dbraw/zinc/63/54/43/923635443.db2.gz MAKAXWDYCAFCDN-RKDXNWHRSA-N 2 0 251.334 -0.590 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@@]34CC[NH2+]C4)C[C@H]2[NH3+])c1 ZINC001549735182 923635699 /nfs/dbraw/zinc/63/56/99/923635699.db2.gz FJVRGWJBPNDFEW-NWJSVONSSA-N 2 0 289.383 -0.327 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@]3(F)CC[NH2+]C3)C[C@H]2[NH3+])c1 ZINC001549736257 923635856 /nfs/dbraw/zinc/63/58/56/923635856.db2.gz ROVYVCJZJXOVHS-BREBYQMCSA-N 2 0 281.335 -0.625 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)CC3([NH3+])CCC3)C[C@@H]2[NH3+])c1 ZINC001549735708 923635975 /nfs/dbraw/zinc/63/59/75/923635975.db2.gz MPCBNQGLFKIJPY-MNOVXSKESA-N 2 0 277.372 -0.055 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@]3(F)CC[NH2+]C3)C[C@H]2[NH3+])c1 ZINC001549736259 923636029 /nfs/dbraw/zinc/63/60/29/923636029.db2.gz ROVYVCJZJXOVHS-GIPNMCIBSA-N 2 0 281.335 -0.625 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549735137 923636113 /nfs/dbraw/zinc/63/61/13/923636113.db2.gz JBZYWIRSJFWLLH-DCAQKATOSA-N 2 0 265.361 -0.471 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@]3(C)CC[NH2+]C3)C[C@@H]2[NH3+])c1 ZINC001549734602 923636320 /nfs/dbraw/zinc/63/63/20/923636320.db2.gz FUTZYEMVYYUQIY-UHIISALHSA-N 2 0 277.372 -0.327 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)CC3([NH3+])CC3)C[C@@H]2[NH3+])c1 ZINC001549740666 923639085 /nfs/dbraw/zinc/63/90/85/923639085.db2.gz XJDHUUHKCVQQBH-ZJUUUORDSA-N 2 0 263.345 -0.445 20 0 CBADRP Cn1nnnc1CC[N@@H+]1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549776479 923642133 /nfs/dbraw/zinc/64/21/33/923642133.db2.gz SJBDCPWRAWZZFG-ZYHUDNBSSA-N 2 0 250.350 -0.187 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)CC[C@@H]21 ZINC001549883211 923644777 /nfs/dbraw/zinc/64/47/77/923644777.db2.gz JWZADYYIIRYYDU-CXTNEJHOSA-N 2 0 279.384 -0.225 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]C[C@@]23COCCN2C(=O)COC3)CC[NH2+]1 ZINC001549921150 923648400 /nfs/dbraw/zinc/64/84/00/923648400.db2.gz HSFCEBHBHCGYRC-DYEKYZERSA-N 2 0 283.372 -0.656 20 0 CBADRP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001550059190 923658571 /nfs/dbraw/zinc/65/85/71/923658571.db2.gz BVOOZPHXXPIMPV-DDHJBXDOSA-N 2 0 271.336 -0.477 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550006251 923660297 /nfs/dbraw/zinc/66/02/97/923660297.db2.gz ZOFAVLBYECJOQZ-UONOGXRCSA-N 2 0 280.416 -0.071 20 0 CBADRP C[C@H](C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)[NH+](C)C ZINC001550062317 923663053 /nfs/dbraw/zinc/66/30/53/923663053.db2.gz FVWCMARFMDDVHD-ZYHUDNBSSA-N 2 0 280.376 -0.150 20 0 CBADRP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001550060721 923663597 /nfs/dbraw/zinc/66/35/97/923663597.db2.gz VHRZGKCPGVUONI-RWMBFGLXSA-N 2 0 284.379 -0.560 20 0 CBADRP CC(=O)N1CC[C@]([NH3+])(C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC001550073316 923666763 /nfs/dbraw/zinc/66/67/63/923666763.db2.gz KBNSVSUUWPMZQJ-WCQYABFASA-N 2 0 280.372 -0.663 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@H]1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001550073520 923666819 /nfs/dbraw/zinc/66/68/19/923666819.db2.gz NDBDGCQKOJVVNW-GARJFASQSA-N 2 0 253.346 -0.249 20 0 CBADRP [NH3+]CCn1cc(C(=O)NC[C@@H]2CC23CC[NH2+]CC3)nn1 ZINC001550082873 923668621 /nfs/dbraw/zinc/66/86/21/923668621.db2.gz XBGNKVVYWRMCRO-JTQLQIEISA-N 2 0 278.360 -0.644 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550084550 923668748 /nfs/dbraw/zinc/66/87/48/923668748.db2.gz FAVGPDDJIUAYHQ-DGCLKSJQSA-N 2 0 296.415 -0.408 20 0 CBADRP C[C@@]1(C(=O)NC[C@H]2CC23CC[NH2+]CC3)C[NH2+]CCO1 ZINC001550080928 923669874 /nfs/dbraw/zinc/66/98/74/923669874.db2.gz NELBUFAHFUEFIO-YPMHNXCESA-N 2 0 267.373 -0.129 20 0 CBADRP C[C@]1(C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)CCC[NH2+]1 ZINC001550087186 923671520 /nfs/dbraw/zinc/67/15/20/923671520.db2.gz PVSKMWANXYLNKG-DGCLKSJQSA-N 2 0 278.360 -0.429 20 0 CBADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087781 923671857 /nfs/dbraw/zinc/67/18/57/923671857.db2.gz FWDQZUQAASIEQA-FRRDWIJNSA-N 2 0 292.387 -0.054 20 0 CBADRP O=C(NC[C@@H]1CC12CC[NH2+]CC2)[C@@H]1C[NH2+]CCO1 ZINC001550087623 923672059 /nfs/dbraw/zinc/67/20/59/923672059.db2.gz ZICLFVAWQANLDU-QWRGUYRKSA-N 2 0 253.346 -0.519 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087679 923672261 /nfs/dbraw/zinc/67/22/61/923672261.db2.gz CJVYEOOCLWLDAG-KOLCDFICSA-N 2 0 266.349 -0.716 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]1)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550088309 923672604 /nfs/dbraw/zinc/67/26/04/923672604.db2.gz MQNLHPJUDPAFMB-JQWIXIFHSA-N 2 0 278.360 -0.429 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087164 923672893 /nfs/dbraw/zinc/67/28/93/923672893.db2.gz OQXYTHLFMMLQTM-SKDRFNHKSA-N 2 0 278.360 -0.431 20 0 CBADRP [NH3+][C@@H]1CC[C@@H](C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC001550087653 923673229 /nfs/dbraw/zinc/67/32/29/923673229.db2.gz ASCJDGTVVFLUEM-FOGDFJRCSA-N 2 0 278.360 -0.444 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087535 923673278 /nfs/dbraw/zinc/67/32/78/923673278.db2.gz WUFLRSAKXSEVSR-SDDRHHMPSA-N 2 0 278.360 -0.444 20 0 CBADRP C[C@@H](C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1)[NH+](C)C ZINC001550088222 923673320 /nfs/dbraw/zinc/67/33/20/923673320.db2.gz OSNIOFQRONZKEQ-GXSJLCMTSA-N 2 0 266.349 -0.621 20 0 CBADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@@H]1CCC[NH2+]C1 ZINC001550088374 923674561 /nfs/dbraw/zinc/67/45/61/923674561.db2.gz OHLHDBDQIRJEFC-PWSUYJOCSA-N 2 0 278.360 -0.572 20 0 CBADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@@H]1CCCC[NH2+]1 ZINC001550088603 923674681 /nfs/dbraw/zinc/67/46/81/923674681.db2.gz UTPKIKIQMINJOT-RYUDHWBXSA-N 2 0 278.360 -0.429 20 0 CBADRP O=C(NCc1cccc2c1CC[NH2+]C2)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC001550091179 923674921 /nfs/dbraw/zinc/67/49/21/923674921.db2.gz WJLACQKIWZDNEM-OCCSQVGLSA-N 2 0 275.352 -0.329 20 0 CBADRP COC[C@@H]([NH3+])C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001550090103 923675196 /nfs/dbraw/zinc/67/51/96/923675196.db2.gz UYTJMJMGPSEJQC-CHWSQXEVSA-N 2 0 285.388 -0.423 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550089967 923675433 /nfs/dbraw/zinc/67/54/33/923675433.db2.gz YSFMXWJZJIVPBB-NWDGAFQWSA-N 2 0 294.399 -0.640 20 0 CBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3C[C@@H]3[NH3+])CC2)C1=O ZINC001550092851 923678622 /nfs/dbraw/zinc/67/86/22/923678622.db2.gz PKTRLSKYABXFLW-WOPDTQHZSA-N 2 0 280.372 -0.855 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001550096309 923678641 /nfs/dbraw/zinc/67/86/41/923678641.db2.gz KFUPHUPMZHNLDA-DLOVCJGASA-N 2 0 278.360 -0.492 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@@H](n3cc(C[NH3+])nn3)C2)CCC[NH2+]1 ZINC001550094882 923678698 /nfs/dbraw/zinc/67/86/98/923678698.db2.gz ZAZKOKPRWULFLM-YPMHNXCESA-N 2 0 278.360 -0.348 20 0 CBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3CC[NH2+]C3)CC2)C1=O ZINC001550093151 923678716 /nfs/dbraw/zinc/67/87/16/923678716.db2.gz XZSVLCXMQPDSAR-WCQYABFASA-N 2 0 294.399 -0.593 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001550094916 923679425 /nfs/dbraw/zinc/67/94/25/923679425.db2.gz ANRGWADXFODLIE-GHMZBOCLSA-N 2 0 278.360 -0.492 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1)[NH+](C)C ZINC001550095149 923679623 /nfs/dbraw/zinc/67/96/23/923679623.db2.gz ADCMMBYQHPJIEF-NWDGAFQWSA-N 2 0 280.376 -0.150 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1)[NH+](C)C ZINC001550095148 923680439 /nfs/dbraw/zinc/68/04/39/923680439.db2.gz ADCMMBYQHPJIEF-NEPJUHHUSA-N 2 0 280.376 -0.150 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCC[NH2+]3)C2)nn1 ZINC001550097267 923681883 /nfs/dbraw/zinc/68/18/83/923681883.db2.gz HZORMGIRLNSYKM-WDEREUQCSA-N 2 0 264.333 -0.738 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCCC[NH2+]3)C2)nn1 ZINC001550097507 923682101 /nfs/dbraw/zinc/68/21/01/923682101.db2.gz SFNBITCMRAUYMD-RYUDHWBXSA-N 2 0 278.360 -0.348 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCN(C(=O)C[C@@H]3CCC[NH2+]3)C2)nn1 ZINC001550097228 923682139 /nfs/dbraw/zinc/68/21/39/923682139.db2.gz FAOBSNYMPRVNJN-CMPLNLGQSA-N 2 0 278.360 -0.348 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCC[NH2+]C3)C2)nn1 ZINC001550097489 923682181 /nfs/dbraw/zinc/68/21/81/923682181.db2.gz OURBWANQRJYTBH-CMPLNLGQSA-N 2 0 278.360 -0.490 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550104949 923683163 /nfs/dbraw/zinc/68/31/63/923683163.db2.gz JFVYRYDBZONWIB-LLUNPGSJSA-N 2 0 267.373 -0.003 20 0 CBADRP CO[C@@H]1C[NH2+][C@H](C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC001550103708 923683685 /nfs/dbraw/zinc/68/36/85/923683685.db2.gz HAGXLVGWXYMOSL-ZDEQEGDKSA-N 2 0 267.373 -0.084 20 0 CBADRP O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1C[C@H](O)C[NH2+]1 ZINC001550104819 923684016 /nfs/dbraw/zinc/68/40/16/923684016.db2.gz BHMRWNLIPVNYSP-OLSMOAAXSA-N 2 0 253.346 -0.644 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3ncccn3)CC[C@@H]21 ZINC001550105153 923684405 /nfs/dbraw/zinc/68/44/05/923684405.db2.gz ZXYQLMOEYPNHKI-AGIUHOORSA-N 2 0 289.383 -0.101 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)O1 ZINC001550112405 923685688 /nfs/dbraw/zinc/68/56/88/923685688.db2.gz BFXSKOZMAQQUJC-UPJWGTAASA-N 2 0 297.399 -0.362 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001550109086 923686701 /nfs/dbraw/zinc/68/67/01/923686701.db2.gz OYBJTIOORPNLTK-BJDJZHNGSA-N 2 0 253.346 -0.297 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]1C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001550114048 923687153 /nfs/dbraw/zinc/68/71/53/923687153.db2.gz HDBSNSHWBKVOMR-MGPQQGTHSA-N 2 0 275.352 -0.067 20 0 CBADRP C[C@]12C[NH2+]C[C@@H]1CN(C(=O)[C@@]13C[NH2+]C[C@@H]1COC3)C2 ZINC001550117422 923689387 /nfs/dbraw/zinc/68/93/87/923689387.db2.gz SOYFUKVMWSCPHH-HBJVGIJOSA-N 2 0 265.357 -0.710 20 0 CBADRP C[NH2+][C@H](C)C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550117277 923689656 /nfs/dbraw/zinc/68/96/56/923689656.db2.gz XRTBVINUVAUZOS-VXGBXAGGSA-N 2 0 254.378 -0.557 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001550117189 923689747 /nfs/dbraw/zinc/68/97/47/923689747.db2.gz XAWNAZJBYNLHKN-KGLIPLIRSA-N 2 0 280.416 -0.166 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@]3(C)CCC[NH2+]3)C2)CC1 ZINC001550117419 923690191 /nfs/dbraw/zinc/69/01/91/923690191.db2.gz ZXRNTNLDAWDPIP-UKRRQHHQSA-N 2 0 280.416 -0.023 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)[C@]3(F)CC[NH2+]C3)C2)CC1 ZINC001550117307 923690569 /nfs/dbraw/zinc/69/05/69/923690569.db2.gz XUZNQOVEVAYFBA-JSGCOSHPSA-N 2 0 284.379 -0.464 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)[C@@]3(C)C[NH2+]CCO3)C2)CC1 ZINC001550117112 923691023 /nfs/dbraw/zinc/69/10/23/923691023.db2.gz VDLHWFSRKFGUEW-DZGCQCFKSA-N 2 0 296.415 -0.787 20 0 CBADRP [NH3+]CC12CC(NC(=O)[C@]3(C[NH3+])CCCOC3)(C1)C2 ZINC001550118394 923691071 /nfs/dbraw/zinc/69/10/71/923691071.db2.gz URYLJLGHCGOISQ-CPCZMJQVSA-N 2 0 253.346 -0.261 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001550117192 923691216 /nfs/dbraw/zinc/69/12/16/923691216.db2.gz XAWNAZJBYNLHKN-ZIAGYGMSSA-N 2 0 280.416 -0.166 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[NH2+]C3)C2)CC1 ZINC001550117190 923691233 /nfs/dbraw/zinc/69/12/33/923691233.db2.gz XAWNAZJBYNLHKN-UONOGXRCSA-N 2 0 280.416 -0.166 20 0 CBADRP C[C@]12C[NH2+]C[C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@@H]1COC3)C2 ZINC001550117423 923691348 /nfs/dbraw/zinc/69/13/48/923691348.db2.gz SOYFUKVMWSCPHH-OXHZDVMGSA-N 2 0 265.357 -0.710 20 0 CBADRP [NH3+]CC12CC(NC(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)(C1)C2 ZINC001550117949 923691636 /nfs/dbraw/zinc/69/16/36/923691636.db2.gz DCOBQCYOMAIKJU-GWMXKSKGSA-N 2 0 290.371 -0.186 20 0 CBADRP [NH3+]CC12CC(NC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)(C1)C2 ZINC001550118201 923692067 /nfs/dbraw/zinc/69/20/67/923692067.db2.gz PXRSHIFWEVDWFD-IENTYSSBSA-N 2 0 265.357 -0.153 20 0 CBADRP CC(C)(C(=O)NC12CC(C[NH3+])(C1)C2)N1CC[NH2+]CC1 ZINC001550120126 923695493 /nfs/dbraw/zinc/69/54/93/923695493.db2.gz LZSBLTRBWBSGAQ-UHFFFAOYSA-N 2 0 266.389 -0.332 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC001550183292 923704905 /nfs/dbraw/zinc/70/49/05/923704905.db2.gz MNQXECMNPWKKNL-JHJVBQTASA-N 2 0 285.388 -0.295 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001550185900 923705889 /nfs/dbraw/zinc/70/58/89/923705889.db2.gz MDYQQVRFTJTLFY-AWEZNQCLSA-N 2 0 299.415 -0.033 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001550188778 923706568 /nfs/dbraw/zinc/70/65/68/923706568.db2.gz NUJZHTCMFQJEQK-QWHCGFSZSA-N 2 0 285.388 -0.423 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC001550184541 923706842 /nfs/dbraw/zinc/70/68/42/923706842.db2.gz FBMGILUVHZCIFI-FVCCEPFGSA-N 2 0 285.388 -0.153 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550190309 923710227 /nfs/dbraw/zinc/71/02/27/923710227.db2.gz SIIHPMXOMQAUMD-NEPJUHHUSA-N 2 0 292.387 -0.326 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001550202491 923710244 /nfs/dbraw/zinc/71/02/44/923710244.db2.gz OBJDINCAMWPXKJ-LBPRGKRZSA-N 2 0 296.415 -0.086 20 0 CBADRP C[NH2+]CCC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001550200240 923710456 /nfs/dbraw/zinc/71/04/56/923710456.db2.gz DWXDHGYOBSGEQF-UHFFFAOYSA-N 2 0 296.415 -0.072 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550194985 923710705 /nfs/dbraw/zinc/71/07/05/923710705.db2.gz TXKJJKNDDSAJLU-WDEREUQCSA-N 2 0 271.361 -0.765 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001550230157 923712525 /nfs/dbraw/zinc/71/25/25/923712525.db2.gz ADVJGOHCPBYSMI-HNNXBMFYSA-N 2 0 280.416 -0.116 20 0 CBADRP N[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C[C@@H]1[NH3+] ZINC001550268618 923712708 /nfs/dbraw/zinc/71/27/08/923712708.db2.gz YRNVWKBHVSJKPA-XQHKEYJVSA-N 2 0 281.404 -0.317 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC001550268966 923713032 /nfs/dbraw/zinc/71/30/32/923713032.db2.gz DIVWJQLAOFEHCY-AVERBVTBSA-N 2 0 296.415 -0.117 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC001550278168 923715297 /nfs/dbraw/zinc/71/52/97/923715297.db2.gz RNUZQFMRUSMTSY-WVMKXHBISA-N 2 0 282.388 -0.114 20 0 CBADRP CC(=O)NCC(=O)N1CCC[N@H+](C[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001550349449 923720455 /nfs/dbraw/zinc/72/04/55/923720455.db2.gz XBIFPSBQZVVXCH-ZIAGYGMSSA-N 2 0 296.415 -0.216 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(S(=O)(=O)N1CC[NH2+]CC1)C2 ZINC001550440056 923729476 /nfs/dbraw/zinc/72/94/76/923729476.db2.gz UQTGUWOCMPCBJH-NEPJUHHUSA-N 2 0 288.417 -0.803 20 0 CBADRP C[C@]12C[NH2+]C[C@@H]1C[N@H+](C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC001550437616 923730010 /nfs/dbraw/zinc/73/00/10/923730010.db2.gz VUMWRPGAQGJYQI-JHJVBQTASA-N 3 0 251.374 -0.094 20 0 CBADRP [NH3+][C@H]1C[C@@H]([NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)[C@@H](O)C1 ZINC001550437631 923730566 /nfs/dbraw/zinc/73/05/66/923730566.db2.gz WFZAEEXYABXRJC-YJNKXOJESA-N 3 0 283.416 -0.073 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001550717896 923737235 /nfs/dbraw/zinc/73/72/35/923737235.db2.gz BUEXHNRQSYNOTB-RFGFWPKPSA-N 2 0 294.399 -0.988 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001550720824 923737283 /nfs/dbraw/zinc/73/72/83/923737283.db2.gz MFMFMCVKLALEQH-JNGXGDJUSA-N 2 0 251.330 -0.626 20 0 CBADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)[C@H]2C1 ZINC001550717950 923738475 /nfs/dbraw/zinc/73/84/75/923738475.db2.gz BVSNQOLFTKLQOR-PEDHHIEDSA-N 2 0 295.383 -0.563 20 0 CBADRP [NH3+][C@]12CC[C@@H]1CN(C(=O)NC[C@@H]1C[NH2+]CCCO1)C2 ZINC001550731994 923740101 /nfs/dbraw/zinc/74/01/01/923740101.db2.gz CRAZOSBKBVHFGE-MDZLAQPJSA-N 2 0 268.361 -0.502 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)C[C@H]1CC[NH3+] ZINC001550731377 923740239 /nfs/dbraw/zinc/74/02/39/923740239.db2.gz LOYUHJGKWPNYRP-UPJWGTAASA-N 2 0 284.404 -0.009 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC001550731186 923740326 /nfs/dbraw/zinc/74/03/26/923740326.db2.gz LEWARLZMKNKJLJ-TUAOUCFPSA-N 2 0 270.377 -0.209 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC001550729854 923740481 /nfs/dbraw/zinc/74/04/81/923740481.db2.gz BEISHSALCAXMHO-FRRDWIJNSA-N 2 0 282.388 -0.242 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC001550731465 923741179 /nfs/dbraw/zinc/74/11/79/923741179.db2.gz MOHJVFLDXLZRMY-RYUDHWBXSA-N 2 0 270.377 -0.255 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC001550733337 923741720 /nfs/dbraw/zinc/74/17/20/923741720.db2.gz APXXIFYHLLGKJW-LXVYMNJGSA-N 2 0 282.388 -0.242 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CCNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001550733885 923742940 /nfs/dbraw/zinc/74/29/40/923742940.db2.gz XMEYIKTZNQNWQD-FRRDWIJNSA-N 2 0 284.404 -0.090 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001550733886 923743552 /nfs/dbraw/zinc/74/35/52/923743552.db2.gz XMEYIKTZNQNWQD-JHJVBQTASA-N 2 0 284.404 -0.090 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC001550745851 923743598 /nfs/dbraw/zinc/74/35/98/923743598.db2.gz MPIKKVQBXFMWQH-AAEUAGOBSA-N 2 0 282.388 -0.234 20 0 CBADRP [NH3+][C@@H]1CCOC[C@H]1NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001550734887 923743918 /nfs/dbraw/zinc/74/39/18/923743918.db2.gz CGAFHLICMKBVFZ-MXWKQRLJSA-N 2 0 268.361 -0.314 20 0 CBADRP [NH3+][C@@H]1CCOC[C@H]1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC001550745349 923745103 /nfs/dbraw/zinc/74/51/03/923745103.db2.gz RWCGWSMVXSPYBT-WDHPUFTPSA-N 2 0 254.334 -0.846 20 0 CBADRP O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]C[C@@H](O)C1 ZINC001550751491 923745903 /nfs/dbraw/zinc/74/59/03/923745903.db2.gz TZJCGTQMUAHQCG-PSEXLTFBSA-N 2 0 282.388 -0.507 20 0 CBADRP [NH3+]C1CC(NC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001550771062 923747685 /nfs/dbraw/zinc/74/76/85/923747685.db2.gz ZCIQNDDHUOTCPS-HTAVTVPLSA-N 2 0 282.388 -0.066 20 0 CBADRP O=C1CC[C@H](NC[C@@H]2CCC[NH2+]2)[C@H](C2CC[NH2+]CC2)N1 ZINC001550915082 923754203 /nfs/dbraw/zinc/75/42/03/923754203.db2.gz ZENUJLAHBXIMNE-YDHLFZDLSA-N 2 0 280.416 -0.025 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC001551086322 923762574 /nfs/dbraw/zinc/76/25/74/923762574.db2.gz ZQUCEGZKOGDFIS-GOEBONIOSA-N 2 0 294.443 -0.110 20 0 CBADRP C[C@@H]1C(=O)NCCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC001551397074 923772966 /nfs/dbraw/zinc/77/29/66/923772966.db2.gz ZOCVJIZIMQUCQV-GHMZBOCLSA-N 2 0 253.346 -0.425 20 0 CBADRP CNC(=O)[C@]12C[N@H+](CC3CC([NH3+])C3)C[C@H]1COCC2 ZINC001551412498 923781815 /nfs/dbraw/zinc/78/18/15/923781815.db2.gz VKXISGRNWQUHSL-BOLFBJMRSA-N 2 0 267.373 -0.192 20 0 CBADRP [NH3+]C[C@H]1C[C@@H]1C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001551462298 923794669 /nfs/dbraw/zinc/79/46/69/923794669.db2.gz YCPMZZAFDNMLOT-NEPJUHHUSA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001551464881 923795717 /nfs/dbraw/zinc/79/57/17/923795717.db2.gz ZKWPXDKIQOBPHZ-WDEREUQCSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+][C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C12CCOCC2 ZINC001551463506 923795762 /nfs/dbraw/zinc/79/57/62/923795762.db2.gz IGEVKIBBBSYGDM-MLGHIDQZSA-N 2 0 295.383 -0.482 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[NH2+]CCC12CCOCC2 ZINC001551458830 923796134 /nfs/dbraw/zinc/79/61/34/923796134.db2.gz POUVWNKFWCBKKW-GFCCVEGCSA-N 2 0 283.372 -0.654 20 0 CBADRP [NH3+][C@H]1C[C@H]1C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001551464878 923796767 /nfs/dbraw/zinc/79/67/67/923796767.db2.gz ZKWPXDKIQOBPHZ-MNOVXSKESA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)N1CC[NH2+]C[C@H](O)C1 ZINC001551485277 923797468 /nfs/dbraw/zinc/79/74/68/923797468.db2.gz DIYNPOZSZXZESQ-IACUBPJLSA-N 2 0 290.367 -0.413 20 0 CBADRP [NH3+][C@]12CC[C@@H]1CN(C(=O)[C@@H]1C[C@H]3OCC[C@@H]3[NH2+]1)C2 ZINC001551466787 923797784 /nfs/dbraw/zinc/79/77/84/923797784.db2.gz WGUHPWNQOPGYGN-LNSPPBFMSA-N 2 0 251.330 -0.545 20 0 CBADRP [NH3+][C@H]1c2ccccc2C[C@@H]1NC(=O)N1CCOC[C@@H]([NH3+])C1 ZINC001551479639 923798052 /nfs/dbraw/zinc/79/80/52/923798052.db2.gz BPKXNKFZLYJVGV-UBHSHLNASA-N 2 0 290.367 -0.020 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](C(=O)N2CC[NH2+]CCC23CCOCC3)O1 ZINC001551467695 923799075 /nfs/dbraw/zinc/79/90/75/923799075.db2.gz LUJVSZQFDHCNKT-OLZOCXBDSA-N 2 0 297.399 -0.266 20 0 CBADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC001551501913 923799952 /nfs/dbraw/zinc/79/99/52/923799952.db2.gz FXLCFYDDVCLRAA-MRVWCRGKSA-N 2 0 290.367 -0.101 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)NC1CC2(C[C@@H]2[NH3+])C1 ZINC001551567216 923802432 /nfs/dbraw/zinc/80/24/32/923802432.db2.gz JIWWKDAALOWDNW-ZRZGDYATSA-N 2 0 268.361 -0.504 20 0 CBADRP [NH3+][C@@H]1CC12CCC(NC(=O)NC[C@@H]1COCC[NH2+]1)CC2 ZINC001551549877 923802542 /nfs/dbraw/zinc/80/25/42/923802542.db2.gz KIJXELPRIFIWHA-CBKZZEEASA-N 2 0 282.388 -0.066 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)NC2CC3(C[C@H]3[NH3+])C2)C1 ZINC001551586870 923803967 /nfs/dbraw/zinc/80/39/67/923803967.db2.gz ITIZFKMOIVAEII-WDBLDGLGSA-N 2 0 282.388 -0.114 20 0 CBADRP [NH3+][C@@H]1CC12CC(NC(=O)N1CC[C@H](F)[C@H]([NH3+])C1)C2 ZINC001551572853 923804072 /nfs/dbraw/zinc/80/40/72/923804072.db2.gz DFYPQXUTYVXCDN-YXTXXVRDSA-N 2 0 256.325 -0.053 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)CCO1 ZINC001551595544 923807294 /nfs/dbraw/zinc/80/72/94/923807294.db2.gz ULOMKGXNUBGJQQ-BEVNXUHPSA-N 2 0 282.388 -0.162 20 0 CBADRP [NH3+][C@@H]1CC12CC(NC(=O)N1C[C@@H]3C[NH2+]C[C@H]3C1)C2 ZINC001551607145 923809121 /nfs/dbraw/zinc/80/91/21/923809121.db2.gz MWKBSSKVFFAWDH-IPFCXQRISA-N 2 0 250.346 -0.273 20 0 CBADRP [NH3+][C@@H]1CC12CC(NC(=O)N1CCN([C@@H]3CC[NH2+]C3)CC1)C2 ZINC001551597894 923809390 /nfs/dbraw/zinc/80/93/90/923809390.db2.gz CJORHGQYDHJTCY-DNCHLWJUSA-N 2 0 293.415 -0.445 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[C@@H]2C[NH2+]C[C@H]21 ZINC001552086133 923826540 /nfs/dbraw/zinc/82/65/40/923826540.db2.gz FLVQUWLOQUEYDW-CKYFFXLPSA-N 2 0 276.344 -0.754 20 0 CBADRP CN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H](C[NH3+])C1CC1 ZINC001552089154 923828839 /nfs/dbraw/zinc/82/88/39/923828839.db2.gz ADTBHEUSCRNVAD-PWSUYJOCSA-N 2 0 278.360 -0.378 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C[C@@H]1[NH3+] ZINC001552089318 923828945 /nfs/dbraw/zinc/82/89/45/923828945.db2.gz FFNBGRZEYFUAFQ-UTLUCORTSA-N 2 0 264.333 -0.768 20 0 CBADRP CN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[C@H](C[NH3+])C1CC1 ZINC001552089156 923829797 /nfs/dbraw/zinc/82/97/97/923829797.db2.gz ADTBHEUSCRNVAD-ZYHUDNBSSA-N 2 0 278.360 -0.378 20 0 CBADRP CN(C(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[C@@H](C[NH3+])C1CC1 ZINC001552089152 923829845 /nfs/dbraw/zinc/82/98/45/923829845.db2.gz ADTBHEUSCRNVAD-JQWIXIFHSA-N 2 0 278.360 -0.378 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cnn1C ZINC001552091505 923832009 /nfs/dbraw/zinc/83/20/09/923832009.db2.gz ZCUQRMAYHUZRFS-HBEIAFGSSA-N 2 0 291.399 -0.163 20 0 CBADRP C[C@H](CNC(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1)[NH+](C)C ZINC001552107242 923833506 /nfs/dbraw/zinc/83/35/06/923833506.db2.gz KPBAQIOGAYUGCS-RAIGVLPGSA-N 2 0 294.403 -0.194 20 0 CBADRP C[C@H](CNC(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1)[NH+](C)C ZINC001552107251 923835156 /nfs/dbraw/zinc/83/51/56/923835156.db2.gz KPBAQIOGAYUGCS-WXHSDQCUSA-N 2 0 294.403 -0.194 20 0 CBADRP O=C(CNC(=O)[C@@H]1C[C@@H]1C1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC001552157816 923837488 /nfs/dbraw/zinc/83/74/88/923837488.db2.gz ADBQQKMTRXNORQ-CHWSQXEVSA-N 2 0 294.399 -0.830 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N(C)[C@@H]2CC[NH2+]C2)cnn1C ZINC001552160875 923839677 /nfs/dbraw/zinc/83/96/77/923839677.db2.gz OVHIAZXCRASKDQ-XBFCOCLRSA-N 2 0 291.399 -0.148 20 0 CBADRP [NH3+][C@@H](CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)C1CC1 ZINC001552161379 923839746 /nfs/dbraw/zinc/83/97/46/923839746.db2.gz MUKNYUOVWLWPSN-ZJUUUORDSA-N 2 0 264.333 -0.720 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552161153 923839806 /nfs/dbraw/zinc/83/98/06/923839806.db2.gz UABZDEXRLNIYCJ-LPEHRKFASA-N 2 0 266.349 -0.332 20 0 CBADRP O=C([C@@H]1C[C@@H]1C1CC[NH2+]CC1)N1CCO[C@H]2C[NH2+]C[C@@H]21 ZINC001552160025 923839976 /nfs/dbraw/zinc/83/99/76/923839976.db2.gz IHNDCBJZCYDQLX-MQYQWHSLSA-N 2 0 279.384 -0.179 20 0 CBADRP O=C(NC[C@H]1CC[NH2+]C1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552160968 923840363 /nfs/dbraw/zinc/84/03/63/923840363.db2.gz IWHLHKZAZVVVQM-VHSXEESVSA-N 2 0 264.333 -0.848 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC12CC2 ZINC001552159830 923840407 /nfs/dbraw/zinc/84/04/07/923840407.db2.gz AVVKPOUCJKODEZ-MWLCHTKSSA-N 2 0 276.344 -0.624 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CC[C@@H]([NH3+])C2)cnn1C ZINC001552160385 923840634 /nfs/dbraw/zinc/84/06/34/923840634.db2.gz AARQOUURLUOCMQ-KGYLQXTDSA-N 2 0 277.372 -0.409 20 0 CBADRP Cc1c([C@H]2C[NH2+]C[C@H]2C(=O)N2CCC[NH2+]CC2)cnn1C ZINC001552162915 923841696 /nfs/dbraw/zinc/84/16/96/923841696.db2.gz NNRXHOCYZGIGPK-ZIAGYGMSSA-N 2 0 291.399 -0.147 20 0 CBADRP Cc1c([C@H]2C[NH2+]C[C@H]2C(=O)NCCC[NH3+])cnn1C ZINC001552162612 923841746 /nfs/dbraw/zinc/84/17/46/923841746.db2.gz BSAOSOJDUARZSP-VXGBXAGGSA-N 2 0 265.361 -0.503 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NCCC[NH3+])cnn1C ZINC001552162607 923841790 /nfs/dbraw/zinc/84/17/90/923841790.db2.gz BSAOSOJDUARZSP-RYUDHWBXSA-N 2 0 265.361 -0.503 20 0 CBADRP C[NH2+]CCNC(=O)[C@H]1C[NH2+]C[C@H]1c1cnn(C)c1C ZINC001552163830 923842067 /nfs/dbraw/zinc/84/20/67/923842067.db2.gz XLSDGXXARXOUKG-RYUDHWBXSA-N 2 0 265.361 -0.633 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NCCC[NH3+])cnn1C ZINC001552162602 923843189 /nfs/dbraw/zinc/84/31/89/923843189.db2.gz BSAOSOJDUARZSP-NWDGAFQWSA-N 2 0 265.361 -0.503 20 0 CBADRP Cc1c([C@H]2C[NH2+]C[C@H]2C(=O)N2CC[NH2+]CC2)cnn1C ZINC001552162828 923843269 /nfs/dbraw/zinc/84/32/69/923843269.db2.gz IDMRQESOXQDQJN-CHWSQXEVSA-N 2 0 277.372 -0.537 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552164318 923844142 /nfs/dbraw/zinc/84/41/42/923844142.db2.gz SFJYVFIFMNJWBM-AXFHLTTASA-N 2 0 296.350 -0.416 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@H](C)[C@@H](C)[NH3+])cnn1C ZINC001552164146 923845109 /nfs/dbraw/zinc/84/51/09/923845109.db2.gz OCPCGVASCOIMIV-PNZRWIHMSA-N 2 0 279.388 -0.117 20 0 CBADRP CC1(C)C[NH2+][C@@H]1CNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552164555 923845352 /nfs/dbraw/zinc/84/53/52/923845352.db2.gz XCLZXGFYQKPMFV-GXSJLCMTSA-N 2 0 278.360 -0.460 20 0 CBADRP O=C(c1cn([C@H]2CC[NH2+]C2)nn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC001552177198 923845445 /nfs/dbraw/zinc/84/54/45/923845445.db2.gz CQBIQSWGRWSMLP-NWDGAFQWSA-N 2 0 290.371 -0.267 20 0 CBADRP C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1COC2)[C@H]1CCC[NH2+]C1 ZINC001552194645 923847027 /nfs/dbraw/zinc/84/70/27/923847027.db2.gz OFMCGVVPPRXSEP-FMSGJZPZSA-N 2 0 267.373 -0.273 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)NC[C@H]1C[NH2+]CCO1)C2 ZINC001552185049 923847079 /nfs/dbraw/zinc/84/70/79/923847079.db2.gz OUUMBDVWAMLZCQ-BZPMIXESSA-N 2 0 282.388 -0.255 20 0 CBADRP [NH3+]C[C@@]12CCC[C@@H]1CN(C(=O)NCCN1CC[NH2+]CC1)C2 ZINC001552188534 923847293 /nfs/dbraw/zinc/84/72/93/923847293.db2.gz GHPJAFVGFZNIJP-UKRRQHHQSA-N 2 0 295.431 -0.338 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552195358 923847397 /nfs/dbraw/zinc/84/73/97/923847397.db2.gz VFOVZRFGVQCXMH-ZWNOBZJWSA-N 2 0 255.362 -0.334 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552193879 923847546 /nfs/dbraw/zinc/84/75/46/923847546.db2.gz HTXXUQSFHPTBQQ-DGCLKSJQSA-N 2 0 253.346 -0.662 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552195243 923847753 /nfs/dbraw/zinc/84/77/53/923847753.db2.gz WGOVVRPZVRBAMY-GXTWGEPZSA-N 2 0 267.373 -0.320 20 0 CBADRP O=C(N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552193777 923847852 /nfs/dbraw/zinc/84/78/52/923847852.db2.gz DXHKHFUTZASOIY-KZVDOYCCSA-N 2 0 265.357 -0.425 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552195356 923848308 /nfs/dbraw/zinc/84/83/08/923848308.db2.gz VFOVZRFGVQCXMH-MFKMUULPSA-N 2 0 255.362 -0.334 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552195245 923848692 /nfs/dbraw/zinc/84/86/92/923848692.db2.gz WGOVVRPZVRBAMY-TZMCWYRMSA-N 2 0 267.373 -0.320 20 0 CBADRP C[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552199281 923854994 /nfs/dbraw/zinc/85/49/94/923854994.db2.gz AFJDMYVGDDLJOD-MFKMUULPSA-N 2 0 253.346 -0.567 20 0 CBADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552200621 923855640 /nfs/dbraw/zinc/85/56/40/923855640.db2.gz SEEYNLASFBPZOA-DYEKYZERSA-N 2 0 267.373 -0.177 20 0 CBADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552199745 923856005 /nfs/dbraw/zinc/85/60/05/923856005.db2.gz IFZQUBOIUHXKAZ-SLEUVZQESA-N 2 0 279.384 -0.177 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552200235 923856491 /nfs/dbraw/zinc/85/64/91/923856491.db2.gz NQSWFYUJVZRXGH-KYEXWDHISA-N 2 0 279.384 -0.035 20 0 CBADRP O=C(NC1CC[NH+](C2CC2)CC1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552199928 923856662 /nfs/dbraw/zinc/85/66/62/923856662.db2.gz LVRFAPPJJUFVFG-ABAIWWIYSA-N 2 0 279.384 -0.035 20 0 CBADRP C[NH+](C)C(C)(C)CNC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552201219 923859511 /nfs/dbraw/zinc/85/95/11/923859511.db2.gz YSYLBZNESSICRU-MFKMUULPSA-N 2 0 255.362 -0.321 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C[C@@H]1C[NH3+] ZINC001552203127 923861819 /nfs/dbraw/zinc/86/18/19/923861819.db2.gz FCHBJTBYMSWAPF-FMSGJZPZSA-N 2 0 283.372 -0.955 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC[C@H]1[NH3+] ZINC001552202579 923863392 /nfs/dbraw/zinc/86/33/92/923863392.db2.gz KMIYZXWSZMZZDQ-BYNQJWBRSA-N 2 0 267.373 -0.192 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC12CC2 ZINC001552204445 923864792 /nfs/dbraw/zinc/86/47/92/923864792.db2.gz NDHTWKVUZHUZRQ-GIPNMCIBSA-N 2 0 251.330 -0.828 20 0 CBADRP [NH3+]CC12CCC(CC1)CN2C(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552203740 923865109 /nfs/dbraw/zinc/86/51/09/923865109.db2.gz GHPMHUHFXIXMCQ-HTLISINNSA-N 2 0 279.384 -0.048 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552203186 923865796 /nfs/dbraw/zinc/86/57/96/923865796.db2.gz DMWFHZIMPYELQQ-HIFRSBDPSA-N 2 0 297.399 -0.597 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC12CC2 ZINC001552204440 923866012 /nfs/dbraw/zinc/86/60/12/923866012.db2.gz NDHTWKVUZHUZRQ-BREBYQMCSA-N 2 0 251.330 -0.828 20 0 CBADRP [NH3+]CCC1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552204263 923866571 /nfs/dbraw/zinc/86/65/71/923866571.db2.gz PKKHEVJABJXSRT-GXTWGEPZSA-N 2 0 267.373 -0.190 20 0 CBADRP C[NH+](C)C1CC(CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552210567 923867610 /nfs/dbraw/zinc/86/76/10/923867610.db2.gz GRDSSVGHQYORKL-QKVQEHJESA-N 2 0 267.373 -0.321 20 0 CBADRP [NH3+]C[C@H](NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)C(F)(F)F ZINC001552210914 923868030 /nfs/dbraw/zinc/86/80/30/923868030.db2.gz YXAQJLLLDPJNQS-XPUUQOCRSA-N 2 0 292.265 -0.568 20 0 CBADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1C[NH2+]CCOC1 ZINC001552215182 923868116 /nfs/dbraw/zinc/86/81/16/923868116.db2.gz DWRCJXUGEYIVQW-OCCSQVGLSA-N 2 0 297.399 -0.408 20 0 CBADRP C[C@H](CNC(=O)[C@@]12C[NH2+]C[C@H]1COC2)[NH+]1CCCC1 ZINC001552205975 923868261 /nfs/dbraw/zinc/86/82/61/923868261.db2.gz WBMCGZODVHJEPK-MBNYWOFBSA-N 2 0 267.373 -0.177 20 0 CBADRP CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CC[N@H+](C)C1 ZINC001552215366 923868336 /nfs/dbraw/zinc/86/83/36/923868336.db2.gz FZDJDOBDQHITEV-GVXVVHGQSA-N 2 0 253.346 -0.615 20 0 CBADRP [NH3+]C[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1COC2)C1CCCC1 ZINC001552205418 923868417 /nfs/dbraw/zinc/86/84/17/923868417.db2.gz XVVSZRDKEHYMMB-MBNYWOFBSA-N 2 0 267.373 -0.144 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552216274 923869507 /nfs/dbraw/zinc/86/95/07/923869507.db2.gz NGDDFSPOMQOYFV-YRGRVCCFSA-N 2 0 267.373 -0.177 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cnn(C)c1C ZINC001552215892 923869770 /nfs/dbraw/zinc/86/97/70/923869770.db2.gz NJQCGHAPUBWCHK-ZWKOPEQDSA-N 2 0 279.388 -0.244 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552218215 923870571 /nfs/dbraw/zinc/87/05/71/923870571.db2.gz MLJABGLQGOVIAW-MBNYWOFBSA-N 2 0 267.373 -0.177 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC[C@@H]1F ZINC001552216308 923870884 /nfs/dbraw/zinc/87/08/84/923870884.db2.gz PVKNSCRXJPQFST-KXUCPTDWSA-N 2 0 282.323 -0.676 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552218347 923872304 /nfs/dbraw/zinc/87/23/04/923872304.db2.gz PMCLDJWMORBOCY-SECBINFHSA-N 2 0 266.349 -0.378 20 0 CBADRP Cc1c(C[NH3+])c(NC(=O)[C@@H]2C[NH2+]CCOC2)nn1C ZINC001552216902 923872474 /nfs/dbraw/zinc/87/24/74/923872474.db2.gz AGSVCSMYJQRBQA-SECBINFHSA-N 2 0 267.333 -0.638 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001552249724 923873721 /nfs/dbraw/zinc/87/37/21/923873721.db2.gz QBHMQHZNQXSENB-SQNXGDPESA-N 2 0 292.387 -0.393 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001552250529 923873874 /nfs/dbraw/zinc/87/38/74/923873874.db2.gz WTOTWJRBTIPMQC-AXFHLTTASA-N 2 0 256.350 -0.504 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001552250532 923874086 /nfs/dbraw/zinc/87/40/86/923874086.db2.gz WTOTWJRBTIPMQC-DCAQKATOSA-N 2 0 256.350 -0.504 20 0 CBADRP [NH3+][C@@H]1COCCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC001552260109 923874934 /nfs/dbraw/zinc/87/49/34/923874934.db2.gz AKUFRRBHQTWPDR-SRVKXCTJSA-N 2 0 253.346 -0.297 20 0 CBADRP O=C(N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552274486 923877166 /nfs/dbraw/zinc/87/71/66/923877166.db2.gz KXOKBLBDNYWMGN-MEWQQHAOSA-N 2 0 251.330 -0.815 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001552274367 923877548 /nfs/dbraw/zinc/87/75/48/923877548.db2.gz MSMQNIGQKWRFPM-AGIUHOORSA-N 2 0 267.373 -0.273 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)C[NH2+]1 ZINC001552273501 923877745 /nfs/dbraw/zinc/87/77/45/923877745.db2.gz DADRUYNQSAYGIA-MPPDQPJWSA-N 2 0 253.346 -0.521 20 0 CBADRP O=C(N[C@@H]1CCCC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001552274413 923877953 /nfs/dbraw/zinc/87/79/53/923877953.db2.gz OLIPJKPINQLNTM-SCRDCRAPSA-N 2 0 267.373 -0.129 20 0 CBADRP N[C@@H]1CN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C[C@H]1[NH3+] ZINC001552282193 923878992 /nfs/dbraw/zinc/87/89/92/923878992.db2.gz HYSYBOZDKBWUDW-UMVBOHGHSA-N 2 0 274.368 -0.586 20 0 CBADRP N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001552282736 923879822 /nfs/dbraw/zinc/87/98/22/923879822.db2.gz NQGDHEACEAOZAI-IRCOFANPSA-N 2 0 252.362 -0.881 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552276068 923879985 /nfs/dbraw/zinc/87/99/85/923879985.db2.gz FXPDNQNSXOHAJY-IUCAKERBSA-N 2 0 252.322 -0.768 20 0 CBADRP Nc1cc[nH+]c(CNC(=O)[C@@H]2C[NH2+]CCOC2)c1 ZINC001552282873 923879992 /nfs/dbraw/zinc/87/99/92/923879992.db2.gz AOTKJPOKGKLMCW-SECBINFHSA-N 2 0 250.302 -0.484 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)[C@H]1C[NH2+]CCOC1 ZINC001552284894 923883505 /nfs/dbraw/zinc/88/35/05/923883505.db2.gz FWBCKQXVPQQRFP-VHSXEESVSA-N 2 0 277.315 -0.417 20 0 CBADRP C[C@@H]1CN(C(=O)N2C[C@@H](N)[C@@H]([NH3+])C2)CC[N@@H+](C2CCC2)C1 ZINC001552293856 923884739 /nfs/dbraw/zinc/88/47/39/923884739.db2.gz WKEKQKQSYDNBNM-FPMFFAJLSA-N 2 0 295.431 -0.117 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001552336608 923884982 /nfs/dbraw/zinc/88/49/82/923884982.db2.gz CRMIMRVAMIIDCG-MCIONIFRSA-N 2 0 295.431 -0.469 20 0 CBADRP [NH3+]C1CC(CCNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC001552348176 923887770 /nfs/dbraw/zinc/88/77/70/923887770.db2.gz SZYYGSLQAXRTTC-RUXDESIVSA-N 2 0 295.431 -0.197 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CCNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001552338295 923887791 /nfs/dbraw/zinc/88/77/91/923887791.db2.gz IVLXWSIZEFFEDM-FRRDWIJNSA-N 2 0 284.404 -0.009 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)N[C@@H]3C[NH2+]C[C@H]3F)C[C@H]2[NH3+])cn1 ZINC001552349563 923888454 /nfs/dbraw/zinc/88/84/54/923888454.db2.gz HOFZIUCJOAFOLN-IRCOFANPSA-N 2 0 296.350 -0.834 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N2CCCC[C@@H]3[C@H]([NH3+])[C@H]32)CCCO1 ZINC001552340814 923888514 /nfs/dbraw/zinc/88/85/14/923888514.db2.gz BZVQIFCVJVGWQN-NDBYEHHHSA-N 2 0 282.388 -0.032 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)C1 ZINC001552418231 923895323 /nfs/dbraw/zinc/89/53/23/923895323.db2.gz JHXSVTUBIIMUCR-GHMZBOCLSA-N 2 0 278.360 -0.445 20 0 CBADRP O=C(NCC[C@H]1CC[NH2+]C1)c1cnnn1C1CC[NH2+]CC1 ZINC001552418956 923895958 /nfs/dbraw/zinc/89/59/58/923895958.db2.gz CCIBUFMFOFUENQ-LLVKDONJSA-N 2 0 292.387 -0.068 20 0 CBADRP Cc1c(C(=O)N2CCC(C[NH3+])CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552418410 923896361 /nfs/dbraw/zinc/89/63/61/923896361.db2.gz LRCGJWAXIFQJPM-GFCCVEGCSA-N 2 0 292.387 -0.068 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001552419222 923897144 /nfs/dbraw/zinc/89/71/44/923897144.db2.gz PDCGUXMDPUHILZ-WDEREUQCSA-N 2 0 278.360 -0.316 20 0 CBADRP Cc1c(C(=O)N2CC[NH2+][C@@H](C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552420380 923898288 /nfs/dbraw/zinc/89/82/88/923898288.db2.gz PDDZYIJCKKNFSA-ONGXEEELSA-N 2 0 278.360 -0.445 20 0 CBADRP Cc1c(C(=O)N(C)[C@H](C)C[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552420882 923898415 /nfs/dbraw/zinc/89/84/15/923898415.db2.gz RGTBWFHKTZDFCH-SCZZXKLOSA-N 2 0 266.349 -0.460 20 0 CBADRP CN(C(=O)c1cnnn1C1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC001552420599 923898535 /nfs/dbraw/zinc/89/85/35/923898535.db2.gz XKRANUGOTGFRSF-LLVKDONJSA-N 2 0 278.360 -0.364 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C ZINC001552420217 923898686 /nfs/dbraw/zinc/89/86/86/923898686.db2.gz GHQJHBSIEFZQGE-VXGBXAGGSA-N 2 0 292.387 -0.055 20 0 CBADRP CN1CCN(C(=O)[C@H]2CCCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC001552420685 923898918 /nfs/dbraw/zinc/89/89/18/923898918.db2.gz XXHLMOVAKNZZKR-NWDGAFQWSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]C2)CCO1 ZINC001552420462 923899757 /nfs/dbraw/zinc/89/97/57/923899757.db2.gz CZHOQTNNSRRMSS-SRVKXCTJSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C([C@@H]1CCCC[NH2+]C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001552426339 923900732 /nfs/dbraw/zinc/90/07/32/923900732.db2.gz WJXUKTUCVYEEDO-ZIAGYGMSSA-N 2 0 280.416 -0.118 20 0 CBADRP O=C(NC[C@H]1CC[NH2+]C1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001552437080 923903464 /nfs/dbraw/zinc/90/34/64/923903464.db2.gz WZJJYJHWBJDMEG-VHSXEESVSA-N 2 0 263.345 -0.174 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+]C1)c1cnnn1C1CC[NH2+]CC1 ZINC001552436837 923904190 /nfs/dbraw/zinc/90/41/90/923904190.db2.gz SJDUREZZHYXWOR-SNVBAGLBSA-N 2 0 278.360 -0.458 20 0 CBADRP Cc1c(C(=O)N[C@H](C)C[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552436766 923904656 /nfs/dbraw/zinc/90/46/56/923904656.db2.gz RLXYELWIOZRPMT-VXNVDRBHSA-N 2 0 252.322 -0.802 20 0 CBADRP Cc1c(C(=O)NC[C@@H]([NH3+])C2CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552436896 923904961 /nfs/dbraw/zinc/90/49/61/923904961.db2.gz UKMWNXASMHCTLV-WDEREUQCSA-N 2 0 278.360 -0.412 20 0 CBADRP Cc1c(C(=O)N2CC[C@](C)(C[NH3+])C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552438091 923906736 /nfs/dbraw/zinc/90/67/36/923906736.db2.gz YLMWGRLIURTSLV-SMDDNHRTSA-N 2 0 292.387 -0.068 20 0 CBADRP Cc1c(C(=O)N(C)C2CC([NH3+])C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552438425 923907222 /nfs/dbraw/zinc/90/72/22/923907222.db2.gz NYLQWUHUXBPRHR-HSOILSAZSA-N 2 0 278.360 -0.317 20 0 CBADRP Cc1c(C(=O)N[C@H](C)CC[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552437168 923907304 /nfs/dbraw/zinc/90/73/04/923907304.db2.gz ZHUSULGWUGEZJD-PSASIEDQSA-N 2 0 266.349 -0.412 20 0 CBADRP C[NH2+][C@@H](C)CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001552438120 923907858 /nfs/dbraw/zinc/90/78/58/923907858.db2.gz YXRPTFFPMHLHNZ-IUCAKERBSA-N 2 0 251.334 -0.176 20 0 CBADRP Cc1c(C(=O)N2C[C@@H]([NH3+])C3(CC3)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552442063 923910030 /nfs/dbraw/zinc/91/00/30/923910030.db2.gz MOIMACRDXSVRHK-GHMZBOCLSA-N 2 0 290.371 -0.316 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@@H]2CCCC[NH2+]C2)CC1 ZINC001552441856 923910964 /nfs/dbraw/zinc/91/09/64/923910964.db2.gz MSEPDDVXYQRATP-LLVKDONJSA-N 2 0 255.362 -0.312 20 0 CBADRP O=C([C@@H]1CCCC[NH2+]C1)N1CCO[C@@H]2C[NH2+]C[C@H]21 ZINC001552440685 923911184 /nfs/dbraw/zinc/91/11/84/923911184.db2.gz DXKTXLIPGQTYMH-IJLUTSLNSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1n1cc(C(=O)N[C@@H]2CC[NH2+]C2)nn1 ZINC001552684643 923912267 /nfs/dbraw/zinc/91/22/67/923912267.db2.gz CSTNEKBVZWMIIY-CKYFFXLPSA-N 2 0 278.360 -0.188 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1n1cc(C(=O)N[C@H]2CC[NH2+]C2)nn1 ZINC001552684647 923913961 /nfs/dbraw/zinc/91/39/61/923913961.db2.gz CSTNEKBVZWMIIY-HOSYDEDBSA-N 2 0 278.360 -0.188 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)c1cnc(C2CC[NH2+]CC2)[nH]1 ZINC001552685886 923914162 /nfs/dbraw/zinc/91/41/62/923914162.db2.gz RCWGCEUCGBWPAW-SNVBAGLBSA-N 2 0 263.345 -0.032 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1n1cc(C(=O)NCC2C[NH2+]C2)nn1 ZINC001552694520 923916112 /nfs/dbraw/zinc/91/61/12/923916112.db2.gz WKMGRZFSERFIIC-ZYHUDNBSSA-N 2 0 278.360 -0.330 20 0 CBADRP [NH3+]C[C@@H]1C[C@H](F)CN1Cc1cnn2c1C[NH2+]CC2 ZINC001552686333 923916407 /nfs/dbraw/zinc/91/64/07/923916407.db2.gz CLJNCYBCRLIHRR-QWRGUYRKSA-N 2 0 253.325 -0.143 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)c1cnc(C2CC[NH2+]CC2)[nH]1 ZINC001552700223 923917519 /nfs/dbraw/zinc/91/75/19/923917519.db2.gz UGLINHIIPNDFMD-LLVKDONJSA-N 2 0 293.371 -0.405 20 0 CBADRP CN1CCN(Cc2cnn3c2C[NH2+]CC3)[C@H](C[NH3+])C1 ZINC001552686944 923918242 /nfs/dbraw/zinc/91/82/42/923918242.db2.gz JPFMLKJSLSWISK-GFCCVEGCSA-N 2 0 264.377 -0.939 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001552819773 923920473 /nfs/dbraw/zinc/92/04/73/923920473.db2.gz TUPGJESPABWGEF-GXTWGEPZSA-N 2 0 266.389 -0.460 20 0 CBADRP C[C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001552850081 923922215 /nfs/dbraw/zinc/92/22/15/923922215.db2.gz XENIHIYWMLJJDG-GHMZBOCLSA-N 2 0 292.387 -0.131 20 0 CBADRP Cc1c(C(=O)N(C)C[C@@H](C)[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552847532 923922658 /nfs/dbraw/zinc/92/26/58/923922658.db2.gz AVBJCTDDDVADIS-PSASIEDQSA-N 2 0 266.349 -0.460 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001552849838 923922675 /nfs/dbraw/zinc/92/26/75/923922675.db2.gz PHKSAACCNWZCDA-NXEZZACHSA-N 2 0 279.344 -0.795 20 0 CBADRP C[C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC001552850084 923923657 /nfs/dbraw/zinc/92/36/57/923923657.db2.gz XENIHIYWMLJJDG-QWRGUYRKSA-N 2 0 292.387 -0.131 20 0 CBADRP Cc1c(C(=O)N[C@@H]2CC[NH2+][C@H]2C)nnn1[C@H]1CC[NH2+]C1 ZINC001552848288 923923831 /nfs/dbraw/zinc/92/38/31/923923831.db2.gz QBMZHVLRGIHOQP-INTQDDNPSA-N 2 0 278.360 -0.399 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC001552916518 923925683 /nfs/dbraw/zinc/92/56/83/923925683.db2.gz HIXMPVBVKIPOCB-AAEUAGOBSA-N 2 0 289.383 -0.029 20 0 CBADRP C[C@H]1[NH2+]CC[C@H]1NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC001552916519 923925697 /nfs/dbraw/zinc/92/56/97/923925697.db2.gz HIXMPVBVKIPOCB-DGCLKSJQSA-N 2 0 289.383 -0.029 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001552954333 923926961 /nfs/dbraw/zinc/92/69/61/923926961.db2.gz SMMJBKSRCBJMSF-OCCSQVGLSA-N 2 0 281.404 -0.525 20 0 CBADRP N[C@@H]1CN(C(=O)N2CC[NH2+]CCC23CCC3)C[C@H]1[NH3+] ZINC001552959890 923927531 /nfs/dbraw/zinc/92/75/31/923927531.db2.gz HEAPASDRDITVQL-GHMZBOCLSA-N 2 0 267.377 -0.705 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)NC[C@@H]([NH3+])C3CC3)C2)CC1 ZINC001552954562 923927890 /nfs/dbraw/zinc/92/78/90/923927890.db2.gz DQJBHMIATKCTQT-UONOGXRCSA-N 2 0 295.431 -0.245 20 0 CBADRP [NH3+][C@H]1C[C@@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC001552973600 923932205 /nfs/dbraw/zinc/93/22/05/923932205.db2.gz RDKPTSIENXTOQC-YUSLTOFOSA-N 3 0 278.400 -0.239 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC001552978387 923932674 /nfs/dbraw/zinc/93/26/74/923932674.db2.gz FGBXEYJDHQLTIA-LLVKDONJSA-N 2 0 256.394 -0.454 20 0 CBADRP [NH3+][C@H]1COCCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001553304302 923946293 /nfs/dbraw/zinc/94/62/93/923946293.db2.gz DHHNANOGNPNGJX-CHWSQXEVSA-N 2 0 269.389 -0.195 20 0 CBADRP O=C(NC1CC[NH2+]CC1)[C@@]12C[NH2+]C[C@@H]1COCC2 ZINC001553344146 923948882 /nfs/dbraw/zinc/94/88/82/923948882.db2.gz OQQVJMPUXXGRNH-MFKMUULPSA-N 2 0 253.346 -0.519 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2CN(C)CC3)C1 ZINC001553343126 923949329 /nfs/dbraw/zinc/94/93/29/923949329.db2.gz HZERHIOAEOIXTF-DZKIICNBSA-N 3 0 294.443 -0.014 20 0 CBADRP O=C(NC1CC[NH2+]CC1)[C@]12C[NH2+]C[C@@H]1COCC2 ZINC001553344150 923950837 /nfs/dbraw/zinc/95/08/37/923950837.db2.gz OQQVJMPUXXGRNH-ZWNOBZJWSA-N 2 0 253.346 -0.519 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)c2csc(N3CC[NH2+]CC3)n2)C1 ZINC001553350322 923952709 /nfs/dbraw/zinc/95/27/09/923952709.db2.gz UXGOWNMPMIKAMW-VIFPVBQESA-N 2 0 281.385 -0.274 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)c2csc(N3CC[NH2+]CC3)n2)C1 ZINC001553349465 923953407 /nfs/dbraw/zinc/95/34/07/923953407.db2.gz OKNGMBVFWIHTBP-JTQLQIEISA-N 2 0 295.412 -0.013 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@]12CC[NH2+][C@H]1CCCC2 ZINC001553348949 923953777 /nfs/dbraw/zinc/95/37/77/923953777.db2.gz CNZUPSGBXMADJY-ZFWWWQNUSA-N 2 0 280.416 -0.070 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)c2csc(N3CC[NH2+]CC3)n2)C1 ZINC001553350317 923953847 /nfs/dbraw/zinc/95/38/47/923953847.db2.gz UXGOWNMPMIKAMW-SECBINFHSA-N 2 0 281.385 -0.274 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[C@H](C(=O)NCCN3CC[NH2+]CC3)C[C@H]12 ZINC001553351903 923954772 /nfs/dbraw/zinc/95/47/72/923954772.db2.gz PMWDKODGJAOREW-ZDEQEGDKSA-N 2 0 266.389 -0.619 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)c1csc(N2CC[NH2+]CC2)n1 ZINC001553352784 923955470 /nfs/dbraw/zinc/95/54/70/923955470.db2.gz FCKDDIJDGCIFKX-JTQLQIEISA-N 2 0 295.412 -0.013 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@]12C[NH2+]C[C@@H]1COCC2 ZINC001553355305 923956146 /nfs/dbraw/zinc/95/61/46/923956146.db2.gz PRENGRVPVNVNJF-NTZNESFSSA-N 2 0 253.346 -0.519 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(C)CC3)C1 ZINC001553354399 923957264 /nfs/dbraw/zinc/95/72/64/923957264.db2.gz QVONYKFGETVGHS-GUTXKFCHSA-N 2 0 280.416 -0.404 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@]12CC[C@@H]1C[NH2+]C2 ZINC001553352782 923957425 /nfs/dbraw/zinc/95/74/25/923957425.db2.gz JDRQXAHELXVOQS-TZMCWYRMSA-N 2 0 266.389 -0.650 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(C)CC3)C[C@H](C)[NH2+]1 ZINC001553358707 923959557 /nfs/dbraw/zinc/95/95/57/923959557.db2.gz PPVYSEVXDXVHBL-COMQUAJESA-N 2 0 280.416 -0.264 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2COCC3)C[C@@H](C)[NH2+]1 ZINC001553359423 923960437 /nfs/dbraw/zinc/96/04/37/923960437.db2.gz TZNDDKIZBQTCIY-NMKXLXIOSA-N 2 0 267.373 -0.179 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc3c(n2)C[NH2+]CC3)CCO1 ZINC001553359109 923960485 /nfs/dbraw/zinc/96/04/85/923960485.db2.gz KGYFEDTWDFRCSO-QMTHXVAHSA-N 2 0 290.367 -0.085 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])C[NH2+]C[C@H]2C1 ZINC001553357751 923960851 /nfs/dbraw/zinc/96/08/51/923960851.db2.gz MPENAWWBHHGSBC-COMQUAJESA-N 3 0 280.416 -0.229 20 0 CBADRP CN(C(=O)[C@@]12C[NH2+]C[C@H]1CN(C)CC2)[C@@H]1CC[NH2+]C1 ZINC001553358082 923962048 /nfs/dbraw/zinc/96/20/48/923962048.db2.gz KKIUTFUDDATYKB-SCRDCRAPSA-N 2 0 266.389 -0.652 20 0 CBADRP CN(C(=O)[C@@]12C[NH2+]C[C@@H]1CN(C)CC2)[C@H]1CC[NH2+]C1 ZINC001553358074 923962238 /nfs/dbraw/zinc/96/22/38/923962238.db2.gz KKIUTFUDDATYKB-DYEKYZERSA-N 2 0 266.389 -0.652 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NCC(C)(C)[NH3+])C[NH2+]C[C@@H]2C1 ZINC001553358609 923962277 /nfs/dbraw/zinc/96/22/77/923962277.db2.gz QLFYFCLODPFHAN-MFKMUULPSA-N 3 0 254.378 -0.619 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CN(C)CC3)CC1 ZINC001553358703 923962673 /nfs/dbraw/zinc/96/26/73/923962673.db2.gz POTPFBIJPWZULH-IUODEOHRSA-N 2 0 280.416 -0.262 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@]23CC[C@H]2C[NH2+]C3)C1 ZINC001553360848 923963666 /nfs/dbraw/zinc/96/36/66/923963666.db2.gz ZZAHHWKQTFGXIX-TYNCELHUSA-N 2 0 294.399 -0.701 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@]23CC[C@@H]2C[NH2+]C3)C1 ZINC001553360844 923966324 /nfs/dbraw/zinc/96/63/24/923966324.db2.gz ZZAHHWKQTFGXIX-JMSVASOKSA-N 2 0 294.399 -0.701 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553401453 923971383 /nfs/dbraw/zinc/97/13/83/923971383.db2.gz HLQUAWLHRLTCHC-BJDJZHNGSA-N 2 0 253.346 -0.378 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553402877 923973854 /nfs/dbraw/zinc/97/38/54/923973854.db2.gz RGNIJHFQUXUDCC-BJDJZHNGSA-N 2 0 253.346 -0.297 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)N[C@@H]3CCC[C@@H](O)C3)C[NH2+]C[C@H]2C1 ZINC001553403059 923974804 /nfs/dbraw/zinc/97/48/04/923974804.db2.gz YOXZYMMDCOPWTD-JLNYLFASSA-N 2 0 281.400 -0.053 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553402878 923974949 /nfs/dbraw/zinc/97/49/49/923974949.db2.gz RGNIJHFQUXUDCC-FIQHERPVSA-N 2 0 253.346 -0.297 20 0 CBADRP [NH3+]CC1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553403200 923975037 /nfs/dbraw/zinc/97/50/37/923975037.db2.gz WHRMKVXEIAKVEJ-WOPDTQHZSA-N 2 0 253.346 -0.297 20 0 CBADRP [NH3+]CC1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553403198 923975215 /nfs/dbraw/zinc/97/52/15/923975215.db2.gz WHRMKVXEIAKVEJ-SRVKXCTJSA-N 2 0 253.346 -0.297 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC[C@@H]1[NH3+] ZINC001553402643 923975548 /nfs/dbraw/zinc/97/55/48/923975548.db2.gz PVJCEHOIDWQEFD-DGORSVRFSA-N 2 0 253.346 -0.299 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001553406705 923979519 /nfs/dbraw/zinc/97/95/19/923979519.db2.gz GULPCVIFZNAAFZ-CRWXNKLISA-N 2 0 294.399 -0.988 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC[C@@H]1F ZINC001553406286 923979563 /nfs/dbraw/zinc/97/95/63/923979563.db2.gz DOMDQNZWQCCNCR-SSRBZLIGSA-N 2 0 257.309 -0.597 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553408255 923980410 /nfs/dbraw/zinc/98/04/10/923980410.db2.gz ISIUWNAPNUNWOP-AJBSGBCOSA-N 2 0 257.309 -0.678 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553407554 923981205 /nfs/dbraw/zinc/98/12/05/923981205.db2.gz HINUGUBYRSXJQY-MELADBBJSA-N 2 0 297.399 -0.267 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553407833 923981907 /nfs/dbraw/zinc/98/19/07/923981907.db2.gz HYRBDSISYHVODS-FVCCEPFGSA-N 2 0 267.373 -0.036 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[NH+](C)CC1 ZINC001553410609 923982988 /nfs/dbraw/zinc/98/29/88/923982988.db2.gz OTQVGEKVOSCYSB-RFGFWPKPSA-N 2 0 296.415 -0.742 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553410361 923983472 /nfs/dbraw/zinc/98/34/72/923983472.db2.gz KXRHPDIZAWCPCY-MQYQWHSLSA-N 2 0 297.399 -0.267 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553410364 923983500 /nfs/dbraw/zinc/98/35/00/923983500.db2.gz KXRHPDIZAWCPCY-YIYPIFLZSA-N 2 0 297.399 -0.267 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553408938 923984423 /nfs/dbraw/zinc/98/44/23/923984423.db2.gz KHQBIUPKQBRXHX-RFGFWPKPSA-N 2 0 296.415 -0.742 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001553409024 923984979 /nfs/dbraw/zinc/98/49/79/923984979.db2.gz KUNWICQOONOPDT-PPCPHDFISA-N 2 0 265.357 -0.284 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553412782 923988236 /nfs/dbraw/zinc/98/82/36/923988236.db2.gz OPHFLRHBZOOPJY-IXOXFDKPSA-N 2 0 265.357 -0.141 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1CNC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553416798 923989695 /nfs/dbraw/zinc/98/96/95/923989695.db2.gz CNMFTMLIEDKCQG-NJMOYASZSA-N 2 0 267.373 -0.132 20 0 CBADRP CC1(C)CN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC[NH2+]1 ZINC001553415668 923989934 /nfs/dbraw/zinc/98/99/34/923989934.db2.gz ZHOJNDLURUQONM-OUAUKWLOSA-N 2 0 253.346 -0.284 20 0 CBADRP CC1(C)CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC[NH2+]1 ZINC001553415662 923990326 /nfs/dbraw/zinc/99/03/26/923990326.db2.gz ZHOJNDLURUQONM-DCAQKATOSA-N 2 0 253.346 -0.284 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)cn1 ZINC001553421492 923992744 /nfs/dbraw/zinc/99/27/44/923992744.db2.gz JUYRISGLDPOUDZ-AGIUHOORSA-N 2 0 293.371 -0.097 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C[C@H]1C[NH3+] ZINC001553426489 923993461 /nfs/dbraw/zinc/99/34/61/923993461.db2.gz WKWBKXKYPXPMHT-GCHJQGSQSA-N 2 0 253.346 -0.441 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C[C@@H]1C[NH3+] ZINC001553426488 923993712 /nfs/dbraw/zinc/99/37/12/923993712.db2.gz WKWBKXKYPXPMHT-DGORSVRFSA-N 2 0 253.346 -0.441 20 0 CBADRP O=C(Nc1n[nH]c2c1C[NH2+]C2)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553427236 923995141 /nfs/dbraw/zinc/99/51/41/923995141.db2.gz HDYXMCWTAIWOOR-NRPADANISA-N 2 0 263.301 -0.529 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553432029 923998403 /nfs/dbraw/zinc/99/84/03/923998403.db2.gz QQIMDRZPAREXOF-WISYIIOYSA-N 2 0 253.346 -0.297 20 0 CBADRP C[C@H](NC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)[C@H]1C[N@H+](C)CCN1C ZINC001553430950 923998478 /nfs/dbraw/zinc/99/84/78/923998478.db2.gz WTKZTXZQTHYTIW-YHQUGGNUSA-N 2 0 296.415 -0.744 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[NH2+]CCC12CCOCC2 ZINC001553437966 923999819 /nfs/dbraw/zinc/99/98/19/923999819.db2.gz JUZJGFKTRQMMJZ-LBPRGKRZSA-N 2 0 282.388 -0.098 20 0 CBADRP [NH3+]C[C@@H]1[C@H]2CN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@H]21 ZINC001553443745 924001913 /nfs/dbraw/zinc/00/19/13/924001913.db2.gz IVWICQNTKPSRFI-ZUWCUPBKSA-N 2 0 294.399 -0.304 20 0 CBADRP [NH3+][C@]12CC[C@@H]1CN(C(=O)NC[C@@H]1C[N@@H+]3CCC[C@H]3CO1)C2 ZINC001553447667 924002019 /nfs/dbraw/zinc/00/20/19/924002019.db2.gz VRDQQFLBLQTPCH-COMQUAJESA-N 2 0 294.399 -0.018 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@]12CCC[C@H]1C[NH2+]C2 ZINC001553448807 924003229 /nfs/dbraw/zinc/00/32/29/924003229.db2.gz KUVOVNYRINKLSJ-GZBFAFLISA-N 2 0 295.431 -0.327 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)C1 ZINC001553457007 924005431 /nfs/dbraw/zinc/00/54/31/924005431.db2.gz PNEGKGABTZQWKJ-ZDEQEGDKSA-N 2 0 282.388 -0.447 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N1CC[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001553491960 924009282 /nfs/dbraw/zinc/00/92/82/924009282.db2.gz NFLGYIZSAROVGJ-UONOGXRCSA-N 2 0 295.431 -0.467 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)NC1(C2CC[NH2+]CC2)CC1 ZINC001553490164 924009496 /nfs/dbraw/zinc/00/94/96/924009496.db2.gz GXXUMPHIWVKMCM-UHFFFAOYSA-N 2 0 295.431 -0.277 20 0 CBADRP C[C@H](CNC(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1)[NH+](C)C ZINC001553492586 924009532 /nfs/dbraw/zinc/00/95/32/924009532.db2.gz QQNFGBGXYRSYCA-WOPDTQHZSA-N 2 0 294.403 -0.194 20 0 CBADRP [NH3+]C[C@H](NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)C1CC1 ZINC001553494649 924009958 /nfs/dbraw/zinc/00/99/58/924009958.db2.gz CINZDDWPDGQSQR-MELADBBJSA-N 2 0 296.415 -0.036 20 0 CBADRP [NH3+][C@H]1CN(C(=O)NC2CC[NH2+]CC2)CC12CCOCC2 ZINC001553494287 924010057 /nfs/dbraw/zinc/01/00/57/924010057.db2.gz YQKSZMYQDGAOCT-LBPRGKRZSA-N 2 0 282.388 -0.112 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N1CCC[C@]12CC[NH2+]C2 ZINC001553490929 924011416 /nfs/dbraw/zinc/01/14/16/924011416.db2.gz IQVBJVLOABDTKV-CQSZACIVSA-N 2 0 281.404 -0.571 20 0 CBADRP C[C@H](C[NH3+])NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553497932 924012616 /nfs/dbraw/zinc/01/26/16/924012616.db2.gz RAMUJKXGEDHQQN-WOPDTQHZSA-N 2 0 270.377 -0.426 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)N[C@H]2CCC[NH2+]C2)CC12CCOCC2 ZINC001553497770 924013815 /nfs/dbraw/zinc/01/38/15/924013815.db2.gz QSIMCKXDDIXPRP-NWDGAFQWSA-N 2 0 282.388 -0.112 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CC12CCOCC2)N[C@@H]1CCC[NH2+]C1 ZINC001553496535 924014324 /nfs/dbraw/zinc/01/43/24/924014324.db2.gz LRIJFXMBIPFUHM-VXGBXAGGSA-N 2 0 282.388 -0.194 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CC12CCOCC2)N[C@H]1CCC[NH2+]C1 ZINC001553496525 924014567 /nfs/dbraw/zinc/01/45/67/924014567.db2.gz LRIJFXMBIPFUHM-NWDGAFQWSA-N 2 0 282.388 -0.194 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC12CCOCC2 ZINC001553505852 924015637 /nfs/dbraw/zinc/01/56/37/924015637.db2.gz UFZJDNPLOQRZMG-NWDGAFQWSA-N 2 0 298.387 -0.876 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001553506975 924016184 /nfs/dbraw/zinc/01/61/84/924016184.db2.gz OVUIJVLYETUSMF-FRRDWIJNSA-N 2 0 282.388 -0.411 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553501930 924017297 /nfs/dbraw/zinc/01/72/97/924017297.db2.gz IUTDGPVLTUJNCG-NWDGAFQWSA-N 2 0 298.387 -0.957 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553510561 924018748 /nfs/dbraw/zinc/01/87/48/924018748.db2.gz QNVRVKACHWPFPS-RWMBFGLXSA-N 2 0 284.404 -0.165 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553516088 924020126 /nfs/dbraw/zinc/02/01/26/924020126.db2.gz NTLFZCOXQPIVES-VXGBXAGGSA-N 2 0 298.387 -0.957 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001553517394 924020463 /nfs/dbraw/zinc/02/04/63/924020463.db2.gz SCUGAHCRAGFWCW-JSGCOSHPSA-N 2 0 282.388 -0.098 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553511533 924021270 /nfs/dbraw/zinc/02/12/70/924021270.db2.gz UGXFVOSRTOUYCQ-WDEREUQCSA-N 2 0 270.377 -0.256 20 0 CBADRP [NH3+][C@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)CC12CCOCC2 ZINC001553517481 924021797 /nfs/dbraw/zinc/02/17/97/924021797.db2.gz SUSAMAHBMFQFES-RYUDHWBXSA-N 2 0 298.387 -0.876 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)N3C[C@H](N)[C@@H]([NH3+])C3)C[C@H]2C1 ZINC001553523493 924022936 /nfs/dbraw/zinc/02/29/36/924022936.db2.gz FGQMKTYXCGLBMV-POQQGIQPSA-N 2 0 295.431 -0.261 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH3+])C1 ZINC001553517621 924023507 /nfs/dbraw/zinc/02/35/07/924023507.db2.gz MNYXINAEAVJBAU-QCNOEVLYSA-N 2 0 292.387 -0.393 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553519453 924023942 /nfs/dbraw/zinc/02/39/42/924023942.db2.gz QWLJHIGPTLIDAP-SRVKXCTJSA-N 2 0 282.388 -0.195 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)NCCN2CCC([NH3+])CC2)CC12CCC2 ZINC001553531163 924024809 /nfs/dbraw/zinc/02/48/09/924024809.db2.gz SOMXRVFYSQWNKS-CYBMUJFWSA-N 2 0 295.431 -0.068 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC001553530022 924025350 /nfs/dbraw/zinc/02/53/50/924025350.db2.gz QBKYAYDXXYCBAQ-WFASDCNBSA-N 2 0 295.431 -0.149 20 0 CBADRP [NH3+]CC1(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC001553534671 924026302 /nfs/dbraw/zinc/02/63/02/924026302.db2.gz YTXVUVIDTQJJJN-CHWSQXEVSA-N 2 0 296.415 -0.034 20 0 CBADRP N[C@@H]1CN(C(=O)N2C[C@@]34C[NH2+]C[C@]3(C2)CCCC4)C[C@@H]1[NH3+] ZINC001553531906 924026737 /nfs/dbraw/zinc/02/67/37/924026737.db2.gz TZQYBDBGAURNIC-CUFDPUGPSA-N 2 0 293.415 -0.458 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553529741 924026839 /nfs/dbraw/zinc/02/68/39/924026839.db2.gz NNQUKWJJESSSHB-AGIUHOORSA-N 2 0 296.415 -0.009 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3F)C2)CC1 ZINC001553543863 924027902 /nfs/dbraw/zinc/02/79/02/924027902.db2.gz OUHHFCHSVMBULD-JHJVBQTASA-N 2 0 299.394 -0.672 20 0 CBADRP [NH3+]CC1CC(NC(=O)N[C@@H]2C[NH2+]CC23CCOCC3)C1 ZINC001553540530 924029025 /nfs/dbraw/zinc/02/90/25/924029025.db2.gz XQQRWMKPZSJIKG-HTAVTVPLSA-N 2 0 282.388 -0.209 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2C[NH2+]C[C@H]2F)CC12CCC2 ZINC001553545409 924029169 /nfs/dbraw/zinc/02/91/69/924029169.db2.gz SHNJNKMKLIMODP-OPRDCNLKSA-N 2 0 256.325 -0.181 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N1CC[C@H]2CC[NH2+]C[C@@H]2C1 ZINC001553541042 924029440 /nfs/dbraw/zinc/02/94/40/924029440.db2.gz DLHJKNXYBAPUKI-WISYIIOYSA-N 2 0 270.352 -0.063 20 0 CBADRP [NH3+]C1CC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC001553559079 924031129 /nfs/dbraw/zinc/03/11/29/924031129.db2.gz UZXUOKBMCMZDSG-IFWUJCSASA-N 2 0 282.388 -0.283 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)NC3CC([NH3+])C3)C2)CC1 ZINC001553556837 924032195 /nfs/dbraw/zinc/03/21/95/924032195.db2.gz OGJDJNUKCNWXSM-BPCQOVAHSA-N 2 0 281.404 -0.493 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)C1 ZINC001558158944 924152227 /nfs/dbraw/zinc/15/22/27/924152227.db2.gz LEELAIMCGOVOFE-FRRDWIJNSA-N 2 0 267.373 -0.394 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000124453550 187138330 /nfs/dbraw/zinc/13/83/30/187138330.db2.gz SYQZYHQIWPJMFY-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCC2)C1 ZINC000337661694 214202883 /nfs/dbraw/zinc/20/28/83/214202883.db2.gz QVEFGMHULKOUGE-LBPRGKRZSA-N 2 0 270.377 -0.288 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000376582426 230255714 /nfs/dbraw/zinc/25/57/14/230255714.db2.gz UBZPRVHPWUSNSC-GFCCVEGCSA-N 2 0 282.388 -0.462 20 0 CBADRP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000423764961 282138032 /nfs/dbraw/zinc/13/80/32/282138032.db2.gz WIKCYYJHAPDHEE-RYUDHWBXSA-N 2 0 255.362 -0.083 20 0 CBADRP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000337760332 214249069 /nfs/dbraw/zinc/24/90/69/214249069.db2.gz OPFRCMXAABZEAL-LLVKDONJSA-N 2 0 263.407 -0.061 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCC[N@H+](C)C1CC1 ZINC000337724689 282142097 /nfs/dbraw/zinc/14/20/97/282142097.db2.gz LIVCPOWSGORUCJ-CYBMUJFWSA-N 2 0 272.393 -0.308 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000377307344 230282820 /nfs/dbraw/zinc/28/28/20/230282820.db2.gz SRVPZLWWEVTWGY-YVECIDJPSA-N 2 0 285.388 -0.675 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000337839892 214281496 /nfs/dbraw/zinc/28/14/96/214281496.db2.gz FPJYWWGGMQLOMN-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000493952269 230341290 /nfs/dbraw/zinc/34/12/90/230341290.db2.gz JGBPCEWULUJWPZ-UTUOFQBUSA-N 2 0 256.394 -0.278 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419144668 282188657 /nfs/dbraw/zinc/18/86/57/282188657.db2.gz XYILSMYSCBCGGP-JHJVBQTASA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000419143936 290657225 /nfs/dbraw/zinc/65/72/25/290657225.db2.gz DUPJYUZGPMXGQU-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[N@H+](C)CC1 ZINC000126086679 187216184 /nfs/dbraw/zinc/21/61/84/187216184.db2.gz LMNAEAMEBVZFDL-LBPRGKRZSA-N 2 0 270.377 -0.750 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000126162999 187221816 /nfs/dbraw/zinc/22/18/16/187221816.db2.gz YITYPYFFPPPUMQ-RISCZKNCSA-N 2 0 296.415 -0.314 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000126162343 187221880 /nfs/dbraw/zinc/22/18/80/187221880.db2.gz CLUWKYULPZLMJA-JQWIXIFHSA-N 2 0 270.377 -0.846 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)CC[NH+](C)C ZINC000126266739 187228809 /nfs/dbraw/zinc/22/88/09/187228809.db2.gz YKHRRUBZSFVBOD-PWSUYJOCSA-N 2 0 272.393 -0.458 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCCC[NH+](C)C ZINC000126286910 187229716 /nfs/dbraw/zinc/22/97/16/187229716.db2.gz DXODVMOXURKICM-LBPRGKRZSA-N 2 0 272.393 -0.456 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000126466977 187242139 /nfs/dbraw/zinc/24/21/39/187242139.db2.gz LHHYPMLCHVAIAG-SCRDCRAPSA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000126467471 187242258 /nfs/dbraw/zinc/24/22/58/187242258.db2.gz YEUSJNZYOABPKX-LOWVWBTDSA-N 2 0 284.404 -0.315 20 0 CBADRP C[N@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000351454258 219096361 /nfs/dbraw/zinc/09/63/61/219096361.db2.gz AULYWORQXHTAJJ-CYBMUJFWSA-N 2 0 269.389 -0.004 20 0 CBADRP C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000351454259 219097601 /nfs/dbraw/zinc/09/76/01/219097601.db2.gz AULYWORQXHTAJJ-ZDUSSCGKSA-N 2 0 269.389 -0.004 20 0 CBADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCC(=O)N3CCOCC3)C[C@H]12 ZINC000351488850 219104674 /nfs/dbraw/zinc/10/46/74/219104674.db2.gz GJYGDDVSUBDSJN-RWMBFGLXSA-N 2 0 267.373 -0.096 20 0 CBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351539745 219119518 /nfs/dbraw/zinc/11/95/18/219119518.db2.gz VDXAYUJKPJTRLJ-VXGBXAGGSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)C[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351541816 219120683 /nfs/dbraw/zinc/12/06/83/219120683.db2.gz QEMWHOGVDQEAMB-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000377199957 529948257 /nfs/dbraw/zinc/94/82/57/529948257.db2.gz ZFSUNTGFOHOBJT-IJLUTSLNSA-N 2 0 255.362 -0.491 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351557707 219124977 /nfs/dbraw/zinc/12/49/77/219124977.db2.gz IIHCHDWDLGHDKQ-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351558008 219125281 /nfs/dbraw/zinc/12/52/81/219125281.db2.gz RFLSHULCVOGXRE-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[N@H+](CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C(C)C ZINC000351556927 219126018 /nfs/dbraw/zinc/12/60/18/219126018.db2.gz OWCWXYKRVOPBON-GFCCVEGCSA-N 2 0 284.404 -0.299 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351567717 219128470 /nfs/dbraw/zinc/12/84/70/219128470.db2.gz MKFJVZLTLHRFRX-MNOVXSKESA-N 2 0 268.361 -0.935 20 0 CBADRP C[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000573605622 334951118 /nfs/dbraw/zinc/95/11/18/334951118.db2.gz IHXUHQHTHXPZAQ-SRVKXCTJSA-N 2 0 282.388 -0.641 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351567718 219128685 /nfs/dbraw/zinc/12/86/85/219128685.db2.gz MKFJVZLTLHRFRX-QWRGUYRKSA-N 2 0 268.361 -0.935 20 0 CBADRP C[N@@H+](CC(=O)N1CCOCC1)CC1CC[NH2+]CC1 ZINC000094024610 282347048 /nfs/dbraw/zinc/34/70/48/282347048.db2.gz PTMWPJYYTXDVAM-UHFFFAOYSA-N 2 0 255.362 -0.223 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@]2(CCOC)CC[NH2+]C2)C1 ZINC000361732263 290815523 /nfs/dbraw/zinc/81/55/23/290815523.db2.gz GUFSVJFLNRVYTQ-YPMHNXCESA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000351839695 219222620 /nfs/dbraw/zinc/22/26/20/219222620.db2.gz LOUAYYRQDPOZSN-XQQFMLRXSA-N 2 0 296.415 -0.408 20 0 CBADRP CN(C(=O)C[C@H]1COCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000128832850 187393294 /nfs/dbraw/zinc/39/32/94/187393294.db2.gz NABZKKOKSLKFKA-NSHDSACASA-N 2 0 255.362 -0.083 20 0 CBADRP O=C(C[NH2+]CC1CC1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668194 180224506 /nfs/dbraw/zinc/22/45/06/180224506.db2.gz MDRUUKSDCNKWIS-CHWSQXEVSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[NH+](CC)CCS(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000352192644 219352349 /nfs/dbraw/zinc/35/23/49/219352349.db2.gz WTQORGRZVXJESL-LBPRGKRZSA-N 2 0 293.433 -0.686 20 0 CBADRP CC(C)CNC(=O)NC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577392 186179200 /nfs/dbraw/zinc/17/92/00/186179200.db2.gz YVVCZVYYKMYMET-PHIMTYICSA-N 2 0 268.361 -0.381 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000092510743 180398318 /nfs/dbraw/zinc/39/83/18/180398318.db2.gz PVWUTDIOXWLWKL-NEPJUHHUSA-N 2 0 271.361 -0.798 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000092510120 180398530 /nfs/dbraw/zinc/39/85/30/180398530.db2.gz ZDNAFKUOBRNDBQ-LBPRGKRZSA-N 2 0 255.362 -0.081 20 0 CBADRP C[C@@H]([NH3+])C1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000110649299 186309766 /nfs/dbraw/zinc/30/97/66/186309766.db2.gz VDUPCLJNFMJJKS-SECBINFHSA-N 2 0 254.334 -0.403 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000036999125 351395606 /nfs/dbraw/zinc/39/56/06/351395606.db2.gz GKSVFZVTUAHXEK-SDDRHHMPSA-N 2 0 255.362 -0.300 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000037628829 351401216 /nfs/dbraw/zinc/40/12/16/351401216.db2.gz BARXXCGSVUAMBA-CYBMUJFWSA-N 2 0 290.367 -0.548 20 0 CBADRP CCC[C@@](C)([NH3+])C(=O)NCCN1CC[NH+](C)CC1 ZINC000037760088 351402360 /nfs/dbraw/zinc/40/23/60/351402360.db2.gz QZNGYCDJZFAUCF-CYBMUJFWSA-N 2 0 256.394 -0.133 20 0 CBADRP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(=O)n(C)c1=O ZINC000044534185 351444427 /nfs/dbraw/zinc/44/44/27/351444427.db2.gz BZWOGDAZKCBWBW-NSHDSACASA-N 2 0 280.372 -0.485 20 0 CBADRP CC(C)C[NH+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000037821707 351408631 /nfs/dbraw/zinc/40/86/31/351408631.db2.gz ABUFQVCVMJCGNO-VXGBXAGGSA-N 2 0 255.362 -0.491 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000037826967 351409226 /nfs/dbraw/zinc/40/92/26/351409226.db2.gz NFNMIXRMJIOIHP-UHFFFAOYSA-N 2 0 282.388 -0.462 20 0 CBADRP C[NH2+]CC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000040770564 351418265 /nfs/dbraw/zinc/41/82/65/351418265.db2.gz UBOZMWNROWXQDO-GFCCVEGCSA-N 2 0 256.394 -0.406 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000040829706 351419154 /nfs/dbraw/zinc/41/91/54/351419154.db2.gz MNOYAEMEKGZQNF-RYUDHWBXSA-N 2 0 255.362 -0.300 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000040829708 351419319 /nfs/dbraw/zinc/41/93/19/351419319.db2.gz MNOYAEMEKGZQNF-NEPJUHHUSA-N 2 0 255.362 -0.300 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)CNC(=O)C[NH3+])c1cccs1 ZINC000040827289 351419324 /nfs/dbraw/zinc/41/93/24/351419324.db2.gz QUSBTOLQTJKNRZ-SECBINFHSA-N 2 0 284.385 -0.458 20 0 CBADRP CC(C)[C@@H](CNC(=O)[C@H](C)C[NH3+])[NH+]1CCN(C)CC1 ZINC000054343515 351535000 /nfs/dbraw/zinc/53/50/00/351535000.db2.gz BHKSPPHDOARNDU-CHWSQXEVSA-N 2 0 270.421 -0.031 20 0 CBADRP NC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000060242050 351564243 /nfs/dbraw/zinc/56/42/43/351564243.db2.gz DQNOBLYTVVTWAK-UHFFFAOYSA-N 2 0 255.362 -0.094 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000061380432 351567244 /nfs/dbraw/zinc/56/72/44/351567244.db2.gz RUQDFCWIFZUXDX-WDEREUQCSA-N 2 0 259.350 -0.942 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062899486 351577130 /nfs/dbraw/zinc/57/71/30/351577130.db2.gz CYGAJIBDEVAPKR-AWEZNQCLSA-N 2 0 268.405 -0.260 20 0 CBADRP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180333 351580545 /nfs/dbraw/zinc/58/05/45/351580545.db2.gz FFUNUVBLCCJMAZ-MNOVXSKESA-N 2 0 270.377 -0.750 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000063179610 351580775 /nfs/dbraw/zinc/58/07/75/351580775.db2.gz KZXMBGSLJGWIAY-GFCCVEGCSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180394 351582035 /nfs/dbraw/zinc/58/20/35/351582035.db2.gz SRHYEMINTYZBQQ-MNOVXSKESA-N 2 0 282.388 -0.560 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070170506 351635975 /nfs/dbraw/zinc/63/59/75/351635975.db2.gz LZCCTJRCQYGUMA-JTQLQIEISA-N 2 0 256.350 -0.107 20 0 CBADRP CCNC(=O)NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000070188343 351636650 /nfs/dbraw/zinc/63/66/50/351636650.db2.gz KSZQFQAFYPSMNL-UHFFFAOYSA-N 2 0 256.350 -0.107 20 0 CBADRP CN1CC[C@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000071184667 351643411 /nfs/dbraw/zinc/64/34/11/351643411.db2.gz GBKRXNILBLYZMU-QWRGUYRKSA-N 2 0 268.361 -0.996 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000073643576 351655499 /nfs/dbraw/zinc/65/54/99/351655499.db2.gz NLAKXSPSJZXOCM-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP CC(C)[NH2+]CCC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000068807357 351622168 /nfs/dbraw/zinc/62/21/68/351622168.db2.gz UCLAXWHBWFZVHS-GFCCVEGCSA-N 2 0 256.394 -0.264 20 0 CBADRP C[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000077785795 351682416 /nfs/dbraw/zinc/68/24/16/351682416.db2.gz MQOCQMGHWKXMDZ-GFCCVEGCSA-N 2 0 284.404 -0.164 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCn1cncn1 ZINC000077807005 351683829 /nfs/dbraw/zinc/68/38/29/351683829.db2.gz ORTUVTCYUSXTQE-UHFFFAOYSA-N 2 0 297.407 -0.587 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000081015621 351701522 /nfs/dbraw/zinc/70/15/22/351701522.db2.gz ILMXINJWVSFOLP-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCN1CCCC1=O ZINC000103213021 351787115 /nfs/dbraw/zinc/78/71/15/351787115.db2.gz YOXAZERRUDYTOV-UHFFFAOYSA-N 2 0 298.431 -0.049 20 0 CBADRP CNC(=O)NC(=O)CC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000104135376 351789180 /nfs/dbraw/zinc/78/91/80/351789180.db2.gz GMAVJAVGOYBWFD-SECBINFHSA-N 2 0 256.350 -0.109 20 0 CBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000092953285 351754921 /nfs/dbraw/zinc/75/49/21/351754921.db2.gz MMEHURCXMASEOJ-VXGBXAGGSA-N 2 0 254.378 -0.652 20 0 CBADRP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072292 351763293 /nfs/dbraw/zinc/76/32/93/351763293.db2.gz ABPITFQBBPRDHD-SNVBAGLBSA-N 2 0 286.376 -0.340 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)O1 ZINC000094573151 351764654 /nfs/dbraw/zinc/76/46/54/351764654.db2.gz XRTGPLKHNBNGAT-NDBYEHHHSA-N 2 0 283.372 -0.528 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000111612150 351803868 /nfs/dbraw/zinc/80/38/68/351803868.db2.gz OCPTYGFZKSDLCV-IUCAKERBSA-N 2 0 256.350 -0.110 20 0 CBADRP C[C@]1(C(=O)NCCCN2CC[NH2+]CC2)CCC[NH2+]1 ZINC000118952167 351829620 /nfs/dbraw/zinc/82/96/20/351829620.db2.gz OKRQWOFONVLHJM-CYBMUJFWSA-N 2 0 254.378 -0.460 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000114384918 351817575 /nfs/dbraw/zinc/81/75/75/351817575.db2.gz JUGXWFRGKCMQFB-OLZOCXBDSA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCNS(C)(=O)=O ZINC000121201471 351846505 /nfs/dbraw/zinc/84/65/05/351846505.db2.gz OLTYLUYJBSTPBI-QWRGUYRKSA-N 2 0 263.407 -0.145 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000130516209 351880315 /nfs/dbraw/zinc/88/03/15/351880315.db2.gz HSFCPWGVYLBHAK-JHJVBQTASA-N 2 0 283.372 -0.656 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2CCC[NH2+]C2)CC1=O ZINC000129980806 351877020 /nfs/dbraw/zinc/87/70/20/351877020.db2.gz BFVWIMLNGNXDCY-STQMWFEESA-N 2 0 296.415 -0.488 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000137535991 351922595 /nfs/dbraw/zinc/92/25/95/351922595.db2.gz MDCLZZQPYYPDQR-LBPRGKRZSA-N 2 0 254.378 -0.523 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000131753276 351888541 /nfs/dbraw/zinc/88/85/41/351888541.db2.gz ACCVYUOSMVSHNV-WDEREUQCSA-N 2 0 268.361 -0.948 20 0 CBADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000133631479 351900818 /nfs/dbraw/zinc/90/08/18/351900818.db2.gz ZIOYTLQMVWUTDU-MXWKQRLJSA-N 2 0 268.361 -0.144 20 0 CBADRP C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000157224584 351955453 /nfs/dbraw/zinc/95/54/53/351955453.db2.gz GVRMKCNEYQZHAA-RYUDHWBXSA-N 2 0 255.362 -0.443 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000158559395 351958714 /nfs/dbraw/zinc/95/87/14/351958714.db2.gz PCGANMCJTUBJLG-QJPTWQEYSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000163222654 351980696 /nfs/dbraw/zinc/98/06/96/351980696.db2.gz SIQMEFKBZGEPHS-ZJUUUORDSA-N 2 0 268.361 -0.014 20 0 CBADRP O=C(NCCCC[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000165105029 351986070 /nfs/dbraw/zinc/98/60/70/351986070.db2.gz OYGWHYOSJQZQIP-GFCCVEGCSA-N 2 0 255.362 -0.176 20 0 CBADRP C[C@H]([NH3+])C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000166454419 351986845 /nfs/dbraw/zinc/98/68/45/351986845.db2.gz KYSQMOYROAGMBM-NSHDSACASA-N 2 0 292.383 -0.059 20 0 CBADRP C[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000167212625 351988889 /nfs/dbraw/zinc/98/88/89/351988889.db2.gz YDUYJYODIFSLOO-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H](CNC(=O)C[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000176012446 352062289 /nfs/dbraw/zinc/06/22/89/352062289.db2.gz IJQVDPFWKMYOSV-GFCCVEGCSA-N 2 0 256.394 -0.452 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000178874253 352084744 /nfs/dbraw/zinc/08/47/44/352084744.db2.gz GSXCYHIJWZYAJU-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP CC(C)NC(=O)C(=O)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178956538 352086649 /nfs/dbraw/zinc/08/66/49/352086649.db2.gz CPTLNABQEXSYPK-UHFFFAOYSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@]1(O)CC[N@H+](CC2(C[NH+]3CC[C@](C)(O)C3)COC2)C1 ZINC000182214082 352103387 /nfs/dbraw/zinc/10/33/87/352103387.db2.gz RJIAMSJNFSXZBK-OKILXGFUSA-N 2 0 284.400 -0.084 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000188288953 352150431 /nfs/dbraw/zinc/15/04/31/352150431.db2.gz CERSMFKJDYUPPB-ZYHUDNBSSA-N 2 0 253.346 -0.282 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188783028 352157910 /nfs/dbraw/zinc/15/79/10/352157910.db2.gz PLZDBJCWUNHURX-WCQYABFASA-N 2 0 286.395 -0.171 20 0 CBADRP CC[N@H+](C)CCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188744172 352158718 /nfs/dbraw/zinc/15/87/18/352158718.db2.gz WIKIVQGAFNCISY-UHFFFAOYSA-N 2 0 251.334 -0.263 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000187890311 352143156 /nfs/dbraw/zinc/14/31/56/352143156.db2.gz RHGCXOOOMOGITQ-MELADBBJSA-N 2 0 299.415 -0.164 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188232353 352149698 /nfs/dbraw/zinc/14/96/98/352149698.db2.gz MAWCUCMIPJSVLB-LLVKDONJSA-N 2 0 259.350 -0.941 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[NH+](C2CCOCC2)CC1 ZINC000188228244 352149726 /nfs/dbraw/zinc/14/97/26/352149726.db2.gz HXXYQNZTPRRKHG-CYBMUJFWSA-N 2 0 283.372 -0.702 20 0 CBADRP C[C@@H](CNC(=O)C[C@H]1COCC[NH2+]1)[N@H+](C)C1CC1 ZINC000219992741 352237882 /nfs/dbraw/zinc/23/78/82/352237882.db2.gz OMUNCHJUYCRJHR-QWRGUYRKSA-N 2 0 255.362 -0.036 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000227578132 352258390 /nfs/dbraw/zinc/25/83/90/352258390.db2.gz BQVCSKYAONEGMD-PWSUYJOCSA-N 2 0 253.346 -0.282 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000225355289 352247242 /nfs/dbraw/zinc/24/72/42/352247242.db2.gz LWLLWZZWHIEUTI-LSDHHAIUSA-N 2 0 290.411 -0.082 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)COC1CC[NH2+]CC1 ZINC000226083918 352251614 /nfs/dbraw/zinc/25/16/14/352251614.db2.gz XSDVKNVISZTNOI-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH+](C)CCOCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000234249331 352281734 /nfs/dbraw/zinc/28/17/34/352281734.db2.gz QUOCAGVNYQBQIC-GFCCVEGCSA-N 2 0 256.350 -0.588 20 0 CBADRP C[NH+](C)CCOCCNC(=O)COC1CC[NH2+]CC1 ZINC000234261591 352282037 /nfs/dbraw/zinc/28/20/37/352282037.db2.gz RAOTXUXXQGKSPY-UHFFFAOYSA-N 2 0 273.377 -0.551 20 0 CBADRP COCC1(C(=O)N2CCC[NH2+]CC2)CC[NH2+]CC1 ZINC000234636789 352283560 /nfs/dbraw/zinc/28/35/60/352283560.db2.gz NAWHGUYHIWGUST-UHFFFAOYSA-N 2 0 255.362 -0.176 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)NCCOCC[NH+](C)C ZINC000235047379 352286806 /nfs/dbraw/zinc/28/68/06/352286806.db2.gz FZEWMHWUQWLMPX-SNVBAGLBSA-N 2 0 263.407 -0.239 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000236724031 352292845 /nfs/dbraw/zinc/29/28/45/352292845.db2.gz UKQUBHWNGSMHIM-AWEZNQCLSA-N 2 0 296.415 -0.264 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000236752767 352293242 /nfs/dbraw/zinc/29/32/42/352293242.db2.gz WZKOTVQKYJKXDZ-OLZOCXBDSA-N 2 0 270.421 -0.031 20 0 CBADRP CC(C)([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000236779641 352293674 /nfs/dbraw/zinc/29/36/74/352293674.db2.gz WLNSOUMNTGMMQY-NSHDSACASA-N 2 0 255.362 -0.096 20 0 CBADRP CCCN(C(=O)[C@@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000236814309 352293775 /nfs/dbraw/zinc/29/37/75/352293775.db2.gz JZNIGFUZFYZGLH-LBPRGKRZSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2C[NH2+]C2)CC1=O ZINC000236832572 352294715 /nfs/dbraw/zinc/29/47/15/352294715.db2.gz YATMAJNLNVLDPX-WCQYABFASA-N 2 0 294.399 -0.593 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](C)C[NH2+]C)CC1 ZINC000236838584 352295320 /nfs/dbraw/zinc/29/53/20/352295320.db2.gz LPMKUIVQAVVJSQ-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000236891377 352296385 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CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000250394405 352372015 /nfs/dbraw/zinc/37/20/15/352372015.db2.gz YLGIWJNKFAVBKD-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP O[C@H](CN[C@@H]1CC[N@@H+]2CCCC[C@H]12)CN1CCOCC1 ZINC000250811446 352374212 /nfs/dbraw/zinc/37/42/12/352374212.db2.gz DLBGKIKGDIVDDM-RBSFLKMASA-N 2 0 283.416 -0.104 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000251386436 352375467 /nfs/dbraw/zinc/37/54/67/352375467.db2.gz QPJRDUBVFDGROF-VXGBXAGGSA-N 2 0 255.362 -0.190 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000252408125 352376254 /nfs/dbraw/zinc/37/62/54/352376254.db2.gz IKENJHYZPILXDX-WHOHXGKFSA-N 2 0 253.346 -0.548 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000252651562 352379751 /nfs/dbraw/zinc/37/97/51/352379751.db2.gz RIQXKSFLRDPSNG-RWMBFGLXSA-N 2 0 268.405 -0.264 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252842581 352380580 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C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1=O ZINC000262024318 352404587 /nfs/dbraw/zinc/40/45/87/352404587.db2.gz PAAZTSJYYFVLPY-DOMZBBRYSA-N 2 0 296.415 -0.406 20 0 CBADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000262058056 352405442 /nfs/dbraw/zinc/40/54/42/352405442.db2.gz RKFYHZNYAMKMRT-NXEZZACHSA-N 2 0 294.321 -0.309 20 0 CBADRP C[NH2+]CCC[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000302249566 352739910 /nfs/dbraw/zinc/73/99/10/352739910.db2.gz KDSPYUZPHYLBFP-UHFFFAOYSA-N 2 0 263.407 -0.048 20 0 CBADRP COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000310875490 352762620 /nfs/dbraw/zinc/76/26/20/352762620.db2.gz MRQJOSVDOBMDFE-QWHCGFSZSA-N 2 0 260.378 -0.228 20 0 CBADRP COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000310875492 352762747 /nfs/dbraw/zinc/76/27/47/352762747.db2.gz MRQJOSVDOBMDFE-STQMWFEESA-N 2 0 260.378 -0.228 20 0 CBADRP CN(C)S(=O)(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000310909919 352763137 /nfs/dbraw/zinc/76/31/37/352763137.db2.gz 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282.388 -0.654 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC[NH2+]1 ZINC000332072917 352934017 /nfs/dbraw/zinc/93/40/17/352934017.db2.gz VMSPQGRKRBVGKP-JHJVBQTASA-N 2 0 294.399 -0.450 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000332192147 352939273 /nfs/dbraw/zinc/93/92/73/352939273.db2.gz BAZGVWYZZPZZPD-RYUDHWBXSA-N 2 0 280.372 -0.887 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000332326106 352944701 /nfs/dbraw/zinc/94/47/01/352944701.db2.gz LICNJGASIZREKO-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000332390281 352947819 /nfs/dbraw/zinc/94/78/19/352947819.db2.gz WTDCOCVIENEIOH-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333370971 353000933 /nfs/dbraw/zinc/00/09/33/353000933.db2.gz MJWWUERTUUNDJR-AHRFKUBPSA-N 2 0 264.373 -0.014 20 0 CBADRP C[N@@H+]1CCCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000333623447 353006172 /nfs/dbraw/zinc/00/61/72/353006172.db2.gz USMTVFYYETTZAS-GFCCVEGCSA-N 2 0 292.387 -0.020 20 0 CBADRP C[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H](C)[N@H+]1CCO ZINC000333772846 353009870 /nfs/dbraw/zinc/00/98/70/353009870.db2.gz CHVWFSLTNHPFDM-CXYFJQCHSA-N 2 0 282.388 -0.699 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000333777218 353009949 /nfs/dbraw/zinc/00/99/49/353009949.db2.gz DCGPISAXVUDIAN-JHJVBQTASA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@H]1[NH2+]CCN(C(=O)NCCN2CC[NH2+]CC2)[C@@H]1C ZINC000333839614 353011966 /nfs/dbraw/zinc/01/19/66/353011966.db2.gz NZXOEAVLHDOXEH-VXGBXAGGSA-N 2 0 269.393 -0.717 20 0 CBADRP C[C@@]1(CNC(=O)N2CCOC3(C[NH2+]C3)C2)CCC[NH2+]C1 ZINC000333859713 353012687 /nfs/dbraw/zinc/01/26/87/353012687.db2.gz RUFOZODBHSWPQI-CYBMUJFWSA-N 2 0 282.388 -0.240 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000333857909 353012913 /nfs/dbraw/zinc/01/29/13/353012913.db2.gz RJMZXIBXMQVWFB-UHFFFAOYSA-N 2 0 283.420 -0.373 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333857174 353013064 /nfs/dbraw/zinc/01/30/64/353013064.db2.gz REXIDGNRKVCCBP-WYUUTHIRSA-N 2 0 252.362 -0.155 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](C)C1 ZINC000333893585 353013499 /nfs/dbraw/zinc/01/34/99/353013499.db2.gz YQYNOBYXYCNEKU-FHUSYTEZSA-N 2 0 282.388 -0.699 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333951321 353014322 /nfs/dbraw/zinc/01/43/22/353014322.db2.gz YXAKGXBTVPXJBG-AVGNSLFASA-N 2 0 284.404 -0.165 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000336827932 353060811 /nfs/dbraw/zinc/06/08/11/353060811.db2.gz OKGNEABRAJOCED-CYBMUJFWSA-N 2 0 286.420 -0.114 20 0 CBADRP C[N@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@H](O)C[NH3+] ZINC000336848848 353063959 /nfs/dbraw/zinc/06/39/59/353063959.db2.gz NLZSUUPIWZYIOJ-LLVKDONJSA-N 2 0 291.351 -0.076 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NCCCC[NH+](C)C ZINC000336804525 353056238 /nfs/dbraw/zinc/05/62/38/353056238.db2.gz DXODVMOXURKICM-GFCCVEGCSA-N 2 0 272.393 -0.456 20 0 CBADRP CC[NH+](CC)CCNC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000336804511 353056269 /nfs/dbraw/zinc/05/62/69/353056269.db2.gz DKDYSADIAWVPNI-GFCCVEGCSA-N 2 0 272.393 -0.456 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000337438283 353082809 /nfs/dbraw/zinc/08/28/09/353082809.db2.gz XIASWAMYTSUQFN-DGCLKSJQSA-N 2 0 274.409 -0.062 20 0 CBADRP C[NH+](CCCCC[N@@H+](C)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000340222653 353158154 /nfs/dbraw/zinc/15/81/54/353158154.db2.gz QDCSEMNACOENFO-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](CCCCC[N@@H+](C)[C@@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000340222651 353158470 /nfs/dbraw/zinc/15/84/70/353158470.db2.gz QDCSEMNACOENFO-BETUJISGSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]([NH3+])CC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000340184499 353154921 /nfs/dbraw/zinc/15/49/21/353154921.db2.gz MIECAGGNDWXRKE-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000340207500 353156802 /nfs/dbraw/zinc/15/68/02/353156802.db2.gz WLWPRTYHKNAKKV-CHWSQXEVSA-N 2 0 296.415 -0.168 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000340965077 353195399 /nfs/dbraw/zinc/19/53/99/353195399.db2.gz WKJQGAXCUFHKQP-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000364133102 295856667 /nfs/dbraw/zinc/85/66/67/295856667.db2.gz XCMYJQNYAAJREL-VIFPVBQESA-N 2 0 263.345 -0.073 20 0 CBADRP CNS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342102287 353219259 /nfs/dbraw/zinc/21/92/59/353219259.db2.gz LVOFPDASYGJJGR-QJPTWQEYSA-N 2 0 275.418 -0.015 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C[NH+](C)C ZINC000341230064 353206194 /nfs/dbraw/zinc/20/61/94/353206194.db2.gz OZMQEJVBKGZJRN-OLZOCXBDSA-N 2 0 298.431 -0.290 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000342649780 353225417 /nfs/dbraw/zinc/22/54/17/353225417.db2.gz KFEWIUCUMSNDKQ-JTQLQIEISA-N 2 0 273.377 -0.029 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)NCC[NH+](C)C)C1 ZINC000342661371 353225848 /nfs/dbraw/zinc/22/58/48/353225848.db2.gz IWFMTFVREFQUJZ-NSHDSACASA-N 2 0 258.366 -0.432 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000342693984 353228369 /nfs/dbraw/zinc/22/83/69/353228369.db2.gz FSBZPOVVGUZNMC-VXGBXAGGSA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000342704040 353228875 /nfs/dbraw/zinc/22/88/75/353228875.db2.gz KYVHMKCTRTXKOM-AVGNSLFASA-N 2 0 296.415 -0.170 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000342723818 353229547 /nfs/dbraw/zinc/22/95/47/353229547.db2.gz BESOHCPVSGJVEY-OLZOCXBDSA-N 2 0 296.415 -0.310 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000342737518 353230589 /nfs/dbraw/zinc/23/05/89/353230589.db2.gz NBELAMNFBYISQP-NEPJUHHUSA-N 2 0 283.372 -0.038 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)[NH+](C)C ZINC000343177112 353257772 /nfs/dbraw/zinc/25/77/72/353257772.db2.gz HOLQIIYYSJQKAA-NWDGAFQWSA-N 2 0 254.378 -0.557 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)[NH+](C)C ZINC000343177114 353257781 /nfs/dbraw/zinc/25/77/81/353257781.db2.gz HOLQIIYYSJQKAA-VXGBXAGGSA-N 2 0 254.378 -0.557 20 0 CBADRP C[NH+]1CCC[C@H]1C(=O)NCCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000342948023 353242207 /nfs/dbraw/zinc/24/22/07/353242207.db2.gz UVFFNQYKHCLLQE-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)[NH+](C)C1CC1 ZINC000343287207 353263945 /nfs/dbraw/zinc/26/39/45/353263945.db2.gz NNGXLDLTRLHQPM-NSHDSACASA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000343294882 353264851 /nfs/dbraw/zinc/26/48/51/353264851.db2.gz KBDWCILOUBVSBE-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1)C1CC1 ZINC000343315735 353267148 /nfs/dbraw/zinc/26/71/48/353267148.db2.gz YUXRLDYXIDXJGD-LLVKDONJSA-N 2 0 294.399 -0.450 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343309110 353267235 /nfs/dbraw/zinc/26/72/35/353267235.db2.gz VYXUCHPKDSZRLK-KGLIPLIRSA-N 2 0 280.416 -0.071 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000156752130 188279754 /nfs/dbraw/zinc/27/97/54/188279754.db2.gz NOZYZSMMIIIDEG-NWDGAFQWSA-N 2 0 256.394 -0.277 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343898872 353297387 /nfs/dbraw/zinc/29/73/87/353297387.db2.gz PNKSPPVNEXCVNI-YUELXQCFSA-N 2 0 292.427 -0.025 20 0 CBADRP C[NH+]1CCC(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000345529767 353335067 /nfs/dbraw/zinc/33/50/67/353335067.db2.gz WAAFKCQIWVCKHN-CYBMUJFWSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000346018697 353358625 /nfs/dbraw/zinc/35/86/25/353358625.db2.gz VGZRRERFKJGOOY-ZDUSSCGKSA-N 2 0 284.404 -0.929 20 0 CBADRP C[C@@H](CC(N)=O)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000346061043 353360060 /nfs/dbraw/zinc/36/00/60/353360060.db2.gz FHVFQVZAONJTNA-QWRGUYRKSA-N 2 0 270.377 -0.573 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H](C)C[NH+](C)C)CC1 ZINC000346130851 353363129 /nfs/dbraw/zinc/36/31/29/353363129.db2.gz HNIDRILDNGEBRO-GFCCVEGCSA-N 2 0 256.394 -0.310 20 0 CBADRP C[NH2+]CCC1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000346668387 353388781 /nfs/dbraw/zinc/38/87/81/353388781.db2.gz ILKMPZJDVNTJIR-UHFFFAOYSA-N 2 0 294.399 -0.095 20 0 CBADRP CNS(=O)(=O)CCC[N@H+](C)C1CCN(CCO)CC1 ZINC000347979752 353402850 /nfs/dbraw/zinc/40/28/50/353402850.db2.gz RKCKGGXQPFYTCF-UHFFFAOYSA-N 2 0 293.433 -0.686 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NC2CC[NH+](C)CC2)CC1=O ZINC000348906791 353440470 /nfs/dbraw/zinc/44/04/70/353440470.db2.gz BMTYMDKLPAHFEU-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000348918110 353440479 /nfs/dbraw/zinc/44/04/79/353440479.db2.gz KGVMNWKBXSWBQY-VXGBXAGGSA-N 2 0 254.378 -0.557 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC2CC[NH+](C)CC2)CC1=O ZINC000348906792 353440984 /nfs/dbraw/zinc/44/09/84/353440984.db2.gz BMTYMDKLPAHFEU-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP O=C(CCOC1C[NH2+]C1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349004266 353444218 /nfs/dbraw/zinc/44/42/18/353444218.db2.gz RCNODSNIYMWXQI-NSHDSACASA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000348997487 353444331 /nfs/dbraw/zinc/44/43/31/353444331.db2.gz ZHJKQWLLCLWSDD-UHFFFAOYSA-N 2 0 297.399 -0.312 20 0 CBADRP C[NH+](C)C1(CNC(=O)CCOC2C[NH2+]C2)CCOCC1 ZINC000349006215 353444721 /nfs/dbraw/zinc/44/47/21/353444721.db2.gz TYIJGEQROVOALY-UHFFFAOYSA-N 2 0 285.388 -0.408 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCOC1C[NH2+]C1 ZINC000349006246 353444976 /nfs/dbraw/zinc/44/49/76/353444976.db2.gz UAFNVDFTNAICEW-LBPRGKRZSA-N 2 0 284.404 -0.883 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2CC[NH2+]C[C@@H]2C)CC1 ZINC000261685760 137697416 /nfs/dbraw/zinc/69/74/16/137697416.db2.gz AIXGFCRKFADVDX-LBPRGKRZSA-N 2 0 268.405 -0.119 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000350046373 353470922 /nfs/dbraw/zinc/47/09/22/353470922.db2.gz CGHSQMCOHXSZBW-UONOGXRCSA-N 2 0 297.447 -0.032 20 0 CBADRP CN1CCN(C(=O)CCN2CCS(=O)CC2)CC1 ZINC000351494324 353475215 /nfs/dbraw/zinc/47/52/15/353475215.db2.gz QNIHZPJXVSJCQS-UHFFFAOYSA-N 2 0 273.402 -0.785 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)[C@@H]2C1 ZINC000352806324 353506410 /nfs/dbraw/zinc/50/64/10/353506410.db2.gz PZQQYHOXRYNGTF-KFWWJZLASA-N 2 0 292.427 -0.071 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H](C)C[NH+](C)C ZINC000352995680 353515637 /nfs/dbraw/zinc/51/56/37/353515637.db2.gz CIVCGXQFHWRIDL-CHWSQXEVSA-N 2 0 285.436 -0.128 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C[NH3+])OC ZINC000353436312 353532605 /nfs/dbraw/zinc/53/26/05/353532605.db2.gz XVIFLNBIVPDLSU-QWRGUYRKSA-N 2 0 259.350 -0.813 20 0 CBADRP C[NH+]1CCC(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000354669374 353577015 /nfs/dbraw/zinc/57/70/15/353577015.db2.gz IBJPAVJPHDQKEG-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354699683 353578736 /nfs/dbraw/zinc/57/87/36/353578736.db2.gz VYXURGGTMYIEDE-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000354706260 353579320 /nfs/dbraw/zinc/57/93/20/353579320.db2.gz KGEBKWNJQLYTEF-OLZOCXBDSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000354706259 353579372 /nfs/dbraw/zinc/57/93/72/353579372.db2.gz KGEBKWNJQLYTEF-CHWSQXEVSA-N 2 0 296.415 -0.297 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000354721020 353580155 /nfs/dbraw/zinc/58/01/55/353580155.db2.gz YDOLHFBTJIXITA-OLZOCXBDSA-N 2 0 294.399 -0.449 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000354713194 353580287 /nfs/dbraw/zinc/58/02/87/353580287.db2.gz QJJQMZWVURYJJL-NWDGAFQWSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358051855 353621345 /nfs/dbraw/zinc/62/13/45/353621345.db2.gz RYVDPBSWOXHJLA-TZMCWYRMSA-N 2 0 285.388 -0.863 20 0 CBADRP C[N@H+](CC(=O)NC[C@]1(O)CC[NH+](C)C1)[C@@H]1CCSC1 ZINC000358060295 353623382 /nfs/dbraw/zinc/62/33/82/353623382.db2.gz FGCXDCONEDWDDA-DGCLKSJQSA-N 2 0 287.429 -0.394 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2CCO[C@H](C[NH3+])C2)CC1 ZINC000358114253 353627173 /nfs/dbraw/zinc/62/71/73/353627173.db2.gz DHGUKOWKBRZFIK-CYBMUJFWSA-N 2 0 284.404 -0.754 20 0 CBADRP [NH3+]C[C@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CCO1 ZINC000358133301 353628610 /nfs/dbraw/zinc/62/86/10/353628610.db2.gz FNAFWXAALUJULM-AWEZNQCLSA-N 2 0 296.415 -0.611 20 0 CBADRP CS(=O)(=O)NCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358492815 353647620 /nfs/dbraw/zinc/64/76/20/353647620.db2.gz BGVRHZOSJSNLKQ-UHFFFAOYSA-N 2 0 261.391 -0.389 20 0 CBADRP C[C@]1(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CCCC[NH2+]1 ZINC000357811237 353607529 /nfs/dbraw/zinc/60/75/29/353607529.db2.gz TVWUINHQEDFEHD-IUODEOHRSA-N 2 0 296.415 -0.025 20 0 CBADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC000357926950 353614743 /nfs/dbraw/zinc/61/47/43/353614743.db2.gz LAGUPQXSNQJIGA-AVGNSLFASA-N 2 0 269.389 -0.101 20 0 CBADRP O[C@@H]1COC[C@H]1[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000361301480 353661051 /nfs/dbraw/zinc/66/10/51/353661051.db2.gz WYRUTDUEDLUBAY-BFHYXJOUSA-N 2 0 270.373 -0.210 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000362498158 353666381 /nfs/dbraw/zinc/66/63/81/353666381.db2.gz KWVHNSRQILSNJS-QWHCGFSZSA-N 2 0 296.415 -0.584 20 0 CBADRP C[N@H+]([C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCNC1=O ZINC000363478486 353669765 /nfs/dbraw/zinc/66/97/65/353669765.db2.gz LUKNLUZCCZPGJB-KBPBESRZSA-N 2 0 280.416 -0.025 20 0 CBADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000368115172 353684729 /nfs/dbraw/zinc/68/47/29/353684729.db2.gz MEHFDTUGYHPSKT-YFKTTZPYSA-N 2 0 255.362 -0.683 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000368402223 353685443 /nfs/dbraw/zinc/68/54/43/353685443.db2.gz JOCVKNMBUFIUPX-UHFFFAOYSA-N 2 0 276.340 -0.501 20 0 CBADRP O[C@H]1C[N@H+](CCOCC[NH+]2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000368793613 353687178 /nfs/dbraw/zinc/68/71/78/353687178.db2.gz YHRWRJYJANWEPP-OKILXGFUSA-N 2 0 296.411 -0.084 20 0 CBADRP COCC[C@]1(C(=O)N[C@H](C[NH3+])C2CC2)CC[NH2+]C1 ZINC000370798535 353692951 /nfs/dbraw/zinc/69/29/51/353692951.db2.gz PWQCXXYNCSJQGK-DGCLKSJQSA-N 2 0 255.362 -0.144 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000373565107 353732960 /nfs/dbraw/zinc/73/29/60/353732960.db2.gz YDSDLPDMHYBIGI-UPJWGTAASA-N 2 0 267.373 -0.035 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000373564424 353733016 /nfs/dbraw/zinc/73/30/16/353733016.db2.gz YDSDLPDMHYBIGI-JHJVBQTASA-N 2 0 267.373 -0.035 20 0 CBADRP COCC1(C(=O)N2CC[NH2+][C@H](C)C2)CC[NH2+]CC1 ZINC000373558955 353733529 /nfs/dbraw/zinc/73/35/29/353733529.db2.gz AIVNTKDNDDIJIJ-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP CC[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000371341349 353700542 /nfs/dbraw/zinc/70/05/42/353700542.db2.gz NMNUEWOBMYYAFB-GFCCVEGCSA-N 2 0 254.378 -0.556 20 0 CBADRP [NH3+]CCCC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372098945 353710452 /nfs/dbraw/zinc/71/04/52/353710452.db2.gz PEMRLXCXWRZGNF-RYUDHWBXSA-N 2 0 255.362 -0.217 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372098923 353710767 /nfs/dbraw/zinc/71/07/67/353710767.db2.gz OZDZGICOHNNNSV-RWMBFGLXSA-N 2 0 269.389 -0.101 20 0 CBADRP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000372399671 353716605 /nfs/dbraw/zinc/71/66/05/353716605.db2.gz RLOZMQLLTKUHGZ-KGLIPLIRSA-N 2 0 298.431 -0.364 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000372912759 353724488 /nfs/dbraw/zinc/72/44/88/353724488.db2.gz QKMZOZNJYHMRAW-IXLVHKGHSA-N 2 0 253.346 -0.692 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000372902883 353724499 /nfs/dbraw/zinc/72/44/99/353724499.db2.gz JFJDXYWHGCJSCU-YWPYICTPSA-N 2 0 299.415 -0.129 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)[C@H]1C ZINC000375383583 353759029 /nfs/dbraw/zinc/75/90/29/353759029.db2.gz CXYBGWLAYRWMRU-VTPLQMEGSA-N 2 0 291.399 -0.068 20 0 CBADRP CC[C@H]1CN(CCS(=O)(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000383926398 353785740 /nfs/dbraw/zinc/78/57/40/353785740.db2.gz DTUSKSKZUUMSAQ-QWRGUYRKSA-N 2 0 263.407 -0.063 20 0 CBADRP CNS(=O)(=O)CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000375898837 353769362 /nfs/dbraw/zinc/76/93/62/353769362.db2.gz YHWOPFJODBXKKK-IJLUTSLNSA-N 2 0 275.418 -0.002 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NCC[C@@H]1CCC[NH2+]C1 ZINC000375914640 353769397 /nfs/dbraw/zinc/76/93/97/353769397.db2.gz SBCVDKDXPGCYSP-RYUDHWBXSA-N 2 0 255.362 -0.129 20 0 CBADRP CCN1CCOC[C@@H]1C(=O)NCC[N@H+](CC)CCO ZINC000376319188 353774020 /nfs/dbraw/zinc/77/40/20/353774020.db2.gz NZUQGBWDVLYIMT-GFCCVEGCSA-N 2 0 273.377 -0.863 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000373891194 353737606 /nfs/dbraw/zinc/73/76/06/353737606.db2.gz HKBSCXCMUUSZAC-WCBMZHEXSA-N 2 0 263.345 -0.074 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@@H](C)[NH3+] ZINC000399553947 353797473 /nfs/dbraw/zinc/79/74/73/353797473.db2.gz DHOSCXWFYDIVCR-AGIUHOORSA-N 2 0 270.421 -0.032 20 0 CBADRP CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000400151969 353799904 /nfs/dbraw/zinc/79/99/04/353799904.db2.gz BWMBSXILQDQXSM-VWYCJHECSA-N 2 0 261.391 -0.263 20 0 CBADRP CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000400212030 353800545 /nfs/dbraw/zinc/80/05/45/353800545.db2.gz VQPDBXNRAKVMNM-MXWKQRLJSA-N 2 0 261.391 -0.120 20 0 CBADRP CN(C)C(=O)CCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000390295340 353791149 /nfs/dbraw/zinc/79/11/49/353791149.db2.gz YBGMRLCJTDKIEJ-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP CC[NH+](CC)CCNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000416788306 353973195 /nfs/dbraw/zinc/97/31/95/353973195.db2.gz IABWPPQVHJCMAO-GFCCVEGCSA-N 2 0 271.409 -0.469 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)CC[NH3+])C1 ZINC000416861437 353974038 /nfs/dbraw/zinc/97/40/38/353974038.db2.gz DUNUJDWVDHDZAR-GFCCVEGCSA-N 2 0 272.393 -0.057 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N(CC[NH3+])CCO ZINC000417035036 353975932 /nfs/dbraw/zinc/97/59/32/353975932.db2.gz SFIMDIUZWHKJQH-GFCCVEGCSA-N 2 0 272.393 -0.177 20 0 CBADRP C[C@H](CNC(=O)NCCN1CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000417154790 353976419 /nfs/dbraw/zinc/97/64/19/353976419.db2.gz KYERQOHXOWKGMA-CQSZACIVSA-N 2 0 297.447 -0.077 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(CC[NH3+])CCO ZINC000417446627 353977232 /nfs/dbraw/zinc/97/72/32/353977232.db2.gz MMJRTZPHYYIHDF-NSHDSACASA-N 2 0 260.382 -0.321 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)NCC[N@H+](C)CCOC ZINC000417437113 353977247 /nfs/dbraw/zinc/97/72/47/353977247.db2.gz GMHMSVAOJHZXQR-NSHDSACASA-N 2 0 260.382 -0.281 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417439642 353977754 /nfs/dbraw/zinc/97/77/54/353977754.db2.gz MJAADGVWMWAPSX-SNVBAGLBSA-N 2 0 294.346 -0.139 20 0 CBADRP CC[N@H+](CCNC(=O)NCCN1CC[NH2+]CC1)C1CC1 ZINC000417489110 353977960 /nfs/dbraw/zinc/97/79/60/353977960.db2.gz PWNGQBMDMBXYLT-UHFFFAOYSA-N 2 0 283.420 -0.325 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)NCC[N@H+](C)CCOC)C1 ZINC000417442502 353978006 /nfs/dbraw/zinc/97/80/06/353978006.db2.gz UVTYUNDVVGJTCS-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)C[NH3+] ZINC000417569166 353980119 /nfs/dbraw/zinc/98/01/19/353980119.db2.gz QBONQDLTTWQKHM-NEPJUHHUSA-N 2 0 272.393 -0.009 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCC2([NH3+])CCC2)C1 ZINC000417709420 353981784 /nfs/dbraw/zinc/98/17/84/353981784.db2.gz OVCQHHNOUJZXAH-LLVKDONJSA-N 2 0 270.377 -0.112 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000417720024 353982262 /nfs/dbraw/zinc/98/22/62/353982262.db2.gz XDOARFBPBQHUOF-VXGBXAGGSA-N 2 0 270.377 -0.160 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000417715912 353982281 /nfs/dbraw/zinc/98/22/81/353982281.db2.gz TWYJNSPOWSIAJT-VXGBXAGGSA-N 2 0 270.377 -0.256 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000417708045 353982335 /nfs/dbraw/zinc/98/23/35/353982335.db2.gz OABWALLSQQSSGL-NWDGAFQWSA-N 2 0 272.393 -0.138 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N(C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000417777229 353982887 /nfs/dbraw/zinc/98/28/87/353982887.db2.gz CEZVZZNXUSZPNC-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP CN(C(=O)C[NH2+]C[C@H]1CCCO1)[C@H](C[NH3+])C1CC1 ZINC000417828026 353983836 /nfs/dbraw/zinc/98/38/36/353983836.db2.gz FAXRAHURRYYHTC-VXGBXAGGSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)CCC[N@@H+]1C ZINC000418008755 353986585 /nfs/dbraw/zinc/98/65/85/353986585.db2.gz SROOCKPWBCQLMI-FRRDWIJNSA-N 2 0 283.420 -0.328 20 0 CBADRP C[C@@H]1CN(C(=O)NCCOCC[NH+](C)C)CC[NH2+]1 ZINC000418062698 353987369 /nfs/dbraw/zinc/98/73/69/353987369.db2.gz GDAMKMTYEWXZGH-LLVKDONJSA-N 2 0 258.366 -0.432 20 0 CBADRP C[C@H]1[NH2+]CCN(C(=O)NCCOCC[NH+](C)C)[C@@H]1C ZINC000418073984 353987409 /nfs/dbraw/zinc/98/74/09/353987409.db2.gz XDYSOXCJULOVEU-VXGBXAGGSA-N 2 0 272.393 -0.044 20 0 CBADRP [NH3+]CCNC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418292896 353991296 /nfs/dbraw/zinc/99/12/96/353991296.db2.gz DVFRXZPMJPHVKI-KGLIPLIRSA-N 2 0 292.383 -0.120 20 0 CBADRP C[NH2+]CCNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000418318605 353992720 /nfs/dbraw/zinc/99/27/20/353992720.db2.gz POYLTQUPKSOFLA-PHIMTYICSA-N 2 0 258.366 -0.698 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)NCC[N@H+]1CC=CCC1 ZINC000418303631 353992864 /nfs/dbraw/zinc/99/28/64/353992864.db2.gz WCAURKKRANKKTM-UHFFFAOYSA-N 2 0 295.431 -0.157 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418328046 353993904 /nfs/dbraw/zinc/99/39/04/353993904.db2.gz AJXZSJWTUFHFLZ-CHWSQXEVSA-N 2 0 286.420 -0.012 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000418347328 353993937 /nfs/dbraw/zinc/99/39/37/353993937.db2.gz CZTIEBFMYDWUEP-SDDRHHMPSA-N 2 0 270.377 -0.555 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000418347332 353993980 /nfs/dbraw/zinc/99/39/80/353993980.db2.gz CZTIEBFMYDWUEP-WOPDTQHZSA-N 2 0 270.377 -0.555 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000418362984 353995198 /nfs/dbraw/zinc/99/51/98/353995198.db2.gz BQBSKUGAAORVBK-QWHCGFSZSA-N 2 0 286.420 -0.012 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000418362982 353995246 /nfs/dbraw/zinc/99/52/46/353995246.db2.gz BQBSKUGAAORVBK-OLZOCXBDSA-N 2 0 286.420 -0.012 20 0 CBADRP O=C(NCCNc1cc[nH+]cc1)N[C@@H]1CCC[NH2+]C1 ZINC000418387303 353996034 /nfs/dbraw/zinc/99/60/34/353996034.db2.gz SYSODURJFNCDIL-GFCCVEGCSA-N 2 0 263.345 -0.033 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000418376216 353996119 /nfs/dbraw/zinc/99/61/19/353996119.db2.gz FWLGXGVZLRTWFT-NWDGAFQWSA-N 2 0 299.419 -0.391 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000418379732 353996199 /nfs/dbraw/zinc/99/61/99/353996199.db2.gz WGNQEGUSKLZOGQ-OLZOCXBDSA-N 2 0 284.404 -0.116 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000419226803 354039534 /nfs/dbraw/zinc/03/95/34/354039534.db2.gz RLSUVEKMUKJHOS-UHFFFAOYSA-N 2 0 294.399 -0.248 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000419243282 354041244 /nfs/dbraw/zinc/04/12/44/354041244.db2.gz SJASDNMORYGTTP-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000419243653 354041265 /nfs/dbraw/zinc/04/12/65/354041265.db2.gz SQQWKOGAQVMQEN-NSHDSACASA-N 2 0 284.404 -0.441 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000418470009 353998150 /nfs/dbraw/zinc/99/81/50/353998150.db2.gz QFZSHVYKFSADPJ-AAEUAGOBSA-N 2 0 272.393 -0.130 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418427769 353998283 /nfs/dbraw/zinc/99/82/83/353998283.db2.gz OUDFCIFAWHKIRW-GFCCVEGCSA-N 2 0 274.409 -0.027 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)NC[C@H](C)C[NH3+] ZINC000418492072 353998921 /nfs/dbraw/zinc/99/89/21/353998921.db2.gz PCJLBYVXYSOZEY-LLVKDONJSA-N 2 0 260.382 -0.199 20 0 CBADRP CCC[NH2+]CCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000418481542 353999520 /nfs/dbraw/zinc/99/95/20/353999520.db2.gz TYEYQNVBUNKAOX-LBPRGKRZSA-N 2 0 260.382 -0.402 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)CCC1 ZINC000419246762 354041875 /nfs/dbraw/zinc/04/18/75/354041875.db2.gz WJKDSLWRKDZMLR-LLVKDONJSA-N 2 0 282.388 -0.560 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000418511250 354000265 /nfs/dbraw/zinc/00/02/65/354000265.db2.gz QUGWZWOAKBUHHH-LLVKDONJSA-N 2 0 258.366 -0.255 20 0 CBADRP COCC[NH2+]CCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418511742 354000443 /nfs/dbraw/zinc/00/04/43/354000443.db2.gz RNZULUBBYNXQDU-TXEJJXNPSA-N 2 0 270.377 -0.242 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H](C)C[NH3+])CC1 ZINC000418509792 354000476 /nfs/dbraw/zinc/00/04/76/354000476.db2.gz HABXQVJNNISJKM-GFCCVEGCSA-N 2 0 299.419 -0.471 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NCC1([NH3+])CCC1 ZINC000418506584 354000493 /nfs/dbraw/zinc/00/04/93/354000493.db2.gz HAVHLKDBCSDBCF-UHFFFAOYSA-N 2 0 258.366 -0.519 20 0 CBADRP C[C@@]1(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC[NH2+]C1 ZINC000418543629 354002583 /nfs/dbraw/zinc/00/25/83/354002583.db2.gz PDFYRHGDKFYYQW-MPPDQPJWSA-N 2 0 252.362 -0.107 20 0 CBADRP [NH3+]C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)C1CCCC1 ZINC000418598164 354003491 /nfs/dbraw/zinc/00/34/91/354003491.db2.gz QIKSLNXSFXZBJZ-RYUDHWBXSA-N 2 0 270.377 -0.209 20 0 CBADRP COC[C@@]1(CNC(=O)NCC[NH+](C)C)CCC[NH2+]1 ZINC000418652979 354005114 /nfs/dbraw/zinc/00/51/14/354005114.db2.gz JZSDEMAXNHRJEK-LBPRGKRZSA-N 2 0 258.366 -0.384 20 0 CBADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418681060 354006047 /nfs/dbraw/zinc/00/60/47/354006047.db2.gz YGADGCWUPLERMN-NNYUYHANSA-N 2 0 252.362 -0.203 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000418739579 354006271 /nfs/dbraw/zinc/00/62/71/354006271.db2.gz YVKHRASHYCCQIO-NWDGAFQWSA-N 2 0 272.393 -0.130 20 0 CBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418751400 354007107 /nfs/dbraw/zinc/00/71/07/354007107.db2.gz AJIHOWAQAANDGU-OLZOCXBDSA-N 2 0 285.436 -0.095 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000418763048 354007812 /nfs/dbraw/zinc/00/78/12/354007812.db2.gz JIAZIRVSHCNMMQ-NEPJUHHUSA-N 2 0 270.377 -0.290 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418765708 354008236 /nfs/dbraw/zinc/00/82/36/354008236.db2.gz MCFOUHCZJRWLOW-LBPRGKRZSA-N 2 0 272.393 -0.044 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418830699 354010747 /nfs/dbraw/zinc/01/07/47/354010747.db2.gz JSYLCPYUDIWWOC-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418826728 354010908 /nfs/dbraw/zinc/01/09/08/354010908.db2.gz QOUSFPHSVUSNFZ-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000418876523 354014900 /nfs/dbraw/zinc/01/49/00/354014900.db2.gz MMCLGZJQVXCMCK-VXGBXAGGSA-N 2 0 296.415 -0.204 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NCC[NH3+])Cc1ccccc1 ZINC000418951210 354016549 /nfs/dbraw/zinc/01/65/49/354016549.db2.gz WULIZUHNMUEJGC-UHFFFAOYSA-N 2 0 278.356 -0.691 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000418971033 354017331 /nfs/dbraw/zinc/01/73/31/354017331.db2.gz XBASSLOJIJCXHA-GFCCVEGCSA-N 2 0 292.383 -0.302 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000418993089 354020894 /nfs/dbraw/zinc/02/08/94/354020894.db2.gz GOWXCLAZPQQMIP-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000419000351 354022054 /nfs/dbraw/zinc/02/20/54/354022054.db2.gz OFRXZWLLDPLFPR-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000418998386 354022286 /nfs/dbraw/zinc/02/22/86/354022286.db2.gz LZYOSUVKRIDTRE-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419019488 354023510 /nfs/dbraw/zinc/02/35/10/354023510.db2.gz DQHXIFPXDJSODL-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000419025643 354023748 /nfs/dbraw/zinc/02/37/48/354023748.db2.gz OCHIWGUEJWFFSO-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000419018914 354023867 /nfs/dbraw/zinc/02/38/67/354023867.db2.gz CVUSIUXPAPZSSG-LPWJVIDDSA-N 2 0 298.431 -0.068 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419019484 354024227 /nfs/dbraw/zinc/02/42/27/354024227.db2.gz DQHXIFPXDJSODL-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[NH3+] ZINC000419027303 354025439 /nfs/dbraw/zinc/02/54/39/354025439.db2.gz OMOPDNNSYBJPGW-GRYCIOLGSA-N 2 0 284.404 -0.456 20 0 CBADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH2+]C)C1 ZINC000419033409 354026833 /nfs/dbraw/zinc/02/68/33/354026833.db2.gz XHWJJRNPCAIVGK-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCC[NH3+] ZINC000419080881 354027330 /nfs/dbraw/zinc/02/73/30/354027330.db2.gz QKRHNOHHGITRCG-LLVKDONJSA-N 2 0 270.377 -0.558 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419096062 354028683 /nfs/dbraw/zinc/02/86/83/354028683.db2.gz DEHAZISIVQWGDH-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419103006 354028725 /nfs/dbraw/zinc/02/87/25/354028725.db2.gz LKFOQLDKJSHOTC-LLVKDONJSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419097548 354028771 /nfs/dbraw/zinc/02/87/71/354028771.db2.gz GADJAJFIHSGRJL-SNVBAGLBSA-N 2 0 268.361 -0.983 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000419111762 354028914 /nfs/dbraw/zinc/02/89/14/354028914.db2.gz UNYROMFPFXXTKL-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)NCCC[NH3+])C(C)(C)C ZINC000419131275 354029482 /nfs/dbraw/zinc/02/94/82/354029482.db2.gz GOERQJVWXNXLQP-NSHDSACASA-N 2 0 286.420 -0.066 20 0 CBADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419126181 354029673 /nfs/dbraw/zinc/02/96/73/354029673.db2.gz VQZZHEWKXDGLAI-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419138712 354030424 /nfs/dbraw/zinc/03/04/24/354030424.db2.gz REJQAUJTPRCWKK-UTUOFQBUSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000419131989 354030466 /nfs/dbraw/zinc/03/04/66/354030466.db2.gz FFVKRNKNOLTKGQ-XQQFMLRXSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)C(C)(C)C ZINC000419135581 354030575 /nfs/dbraw/zinc/03/05/75/354030575.db2.gz NHRIXORCYFYBQR-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000419138171 354030758 /nfs/dbraw/zinc/03/07/58/354030758.db2.gz QKGIIIWZDOZYGN-YNEHKIRRSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000419142269 354031379 /nfs/dbraw/zinc/03/13/79/354031379.db2.gz VYUHRMNAXABXOG-UPJWGTAASA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419154289 354032875 /nfs/dbraw/zinc/03/28/75/354032875.db2.gz RDNPWYRCCBQWJN-QJPTWQEYSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419153963 354033141 /nfs/dbraw/zinc/03/31/41/354033141.db2.gz QJNMTEAIHPTIKE-MNOVXSKESA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000419152064 354033412 /nfs/dbraw/zinc/03/34/12/354033412.db2.gz NYEFNPPCRNOVBG-WOPDTQHZSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419157901 354034007 /nfs/dbraw/zinc/03/40/07/354034007.db2.gz XAGYAVWCPRSRBG-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000419159454 354034199 /nfs/dbraw/zinc/03/41/99/354034199.db2.gz ZCYLNNNTTZGPDL-JQWIXIFHSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCCC[NH3+])[NH+]1CCC(C)CC1 ZINC000419159765 354034395 /nfs/dbraw/zinc/03/43/95/354034395.db2.gz OMNXFHYJFUIPTL-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000419158092 354034587 /nfs/dbraw/zinc/03/45/87/354034587.db2.gz XLNXUIXDUNAAAD-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000419171570 354034977 /nfs/dbraw/zinc/03/49/77/354034977.db2.gz PFPALPVBXTWZSJ-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000419225924 354039408 /nfs/dbraw/zinc/03/94/08/354039408.db2.gz PYWOFDYKHHPDRA-UHFFFAOYSA-N 2 0 282.388 -0.520 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000419561771 354061526 /nfs/dbraw/zinc/06/15/26/354061526.db2.gz UFNRKOHCPLMXCA-OUAUKWLOSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CCC[N@@H+]1C ZINC000419554697 354061715 /nfs/dbraw/zinc/06/17/15/354061715.db2.gz ICLKTGHIIQVXRG-TUAOUCFPSA-N 2 0 282.388 -0.594 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000419561420 354061817 /nfs/dbraw/zinc/06/18/17/354061817.db2.gz SJSUVALIUJGZRR-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000419585683 354063427 /nfs/dbraw/zinc/06/34/27/354063427.db2.gz LXTSSSNJRSPYDJ-QWRGUYRKSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419583976 354063491 /nfs/dbraw/zinc/06/34/91/354063491.db2.gz KUJCEOURJARHRE-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419579895 354064293 /nfs/dbraw/zinc/06/42/93/354064293.db2.gz GXNUMRNJHGXAJA-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000419589627 354065103 /nfs/dbraw/zinc/06/51/03/354065103.db2.gz PIKOVVYAYVGDBW-SNVBAGLBSA-N 2 0 256.350 -0.948 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000419593581 354065419 /nfs/dbraw/zinc/06/54/19/354065419.db2.gz SWMMJACYZAIGLS-YPMHNXCESA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)[N@H+](C)C1CC1 ZINC000419596039 354065490 /nfs/dbraw/zinc/06/54/90/354065490.db2.gz XLCRUBNNTUPTBI-NSHDSACASA-N 2 0 296.415 -0.156 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCC[NH3+] ZINC000419592095 354065530 /nfs/dbraw/zinc/06/55/30/354065530.db2.gz RVNVRZJEVDQTEK-NSHDSACASA-N 2 0 270.377 -0.558 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000419670655 354068973 /nfs/dbraw/zinc/06/89/73/354068973.db2.gz XGIXQYXXZYLOQF-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)C1CCCC1 ZINC000419692179 354069812 /nfs/dbraw/zinc/06/98/12/354069812.db2.gz GFVXGGMVUQZKPR-CYBMUJFWSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419692760 354070088 /nfs/dbraw/zinc/07/00/88/354070088.db2.gz HFHZYSUGKVLRCS-NEPJUHHUSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H](CCNC(=O)C(=O)N1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000419707715 354071180 /nfs/dbraw/zinc/07/11/80/354071180.db2.gz FAAIGPLTGGQASB-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CC[NH2+]CC1)C1CCCC1 ZINC000419700966 354071363 /nfs/dbraw/zinc/07/13/63/354071363.db2.gz YOENZDNZQNQJKP-UHFFFAOYSA-N 2 0 282.388 -0.591 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000419719342 354071967 /nfs/dbraw/zinc/07/19/67/354071967.db2.gz CJNNCAFWTPWJOZ-PWSUYJOCSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000419736763 354073910 /nfs/dbraw/zinc/07/39/10/354073910.db2.gz SDMHZDRDLULJMR-WCQYABFASA-N 2 0 296.415 -0.170 20 0 CBADRP CC(C)([NH3+])CNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000419732389 354074069 /nfs/dbraw/zinc/07/40/69/354074069.db2.gz MLDSQTALIGKBKJ-LBPRGKRZSA-N 2 0 296.415 -0.027 20 0 CBADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419740808 354074705 /nfs/dbraw/zinc/07/47/05/354074705.db2.gz YFHLRPSUDKADFD-YPMHNXCESA-N 2 0 294.399 -0.402 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419740851 354074936 /nfs/dbraw/zinc/07/49/36/354074936.db2.gz YMIZSQSUCPCBDB-GHMZBOCLSA-N 2 0 270.377 -0.750 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419756692 354075064 /nfs/dbraw/zinc/07/50/64/354075064.db2.gz BFZTYZXUSYDRHX-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419762876 354075632 /nfs/dbraw/zinc/07/56/32/354075632.db2.gz MPSLEPWMLNWMAQ-UHFFFAOYSA-N 2 0 284.404 -0.168 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NCCC[NH3+] ZINC000419764801 354075797 /nfs/dbraw/zinc/07/57/97/354075797.db2.gz PSBCYWGXTYSZKV-UHFFFAOYSA-N 2 0 258.366 -0.701 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000419769688 354076569 /nfs/dbraw/zinc/07/65/69/354076569.db2.gz VUZCVVYTRPJTNP-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419772677 354076753 /nfs/dbraw/zinc/07/67/53/354076753.db2.gz GHZNXSQJDYEVRN-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCCC[NH3+])c1ccccc1 ZINC000419796105 354078240 /nfs/dbraw/zinc/07/82/40/354078240.db2.gz MUHQUUGIDJZSEZ-CYBMUJFWSA-N 2 0 292.383 -0.130 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000419799177 354078544 /nfs/dbraw/zinc/07/85/44/354078544.db2.gz ZTAWIOQAFIXEQL-UHFFFAOYSA-N 2 0 272.393 -0.443 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419787935 354078620 /nfs/dbraw/zinc/07/86/20/354078620.db2.gz YMLKBVRCNDDHPQ-NXEZZACHSA-N 2 0 258.366 -0.704 20 0 CBADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000419813567 354079361 /nfs/dbraw/zinc/07/93/61/354079361.db2.gz GXMCFQXOTOWKFN-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000419810280 354079385 /nfs/dbraw/zinc/07/93/85/354079385.db2.gz LJJQPXOSZVQLJE-WCQYABFASA-N 2 0 292.383 -0.131 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000419813301 354079474 /nfs/dbraw/zinc/07/94/74/354079474.db2.gz GWQJHQSBYPHEIG-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000419812008 354079527 /nfs/dbraw/zinc/07/95/27/354079527.db2.gz GILOYEXBDGECPG-UPJWGTAASA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000419880906 354088508 /nfs/dbraw/zinc/08/85/08/354088508.db2.gz VMEMBJORFLWUCG-LBPRGKRZSA-N 2 0 284.404 -0.440 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000419826411 354081506 /nfs/dbraw/zinc/08/15/06/354081506.db2.gz NYNSDSPHGPPVMN-STQMWFEESA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)C[NH+]1CCCC1 ZINC000419837594 354082173 /nfs/dbraw/zinc/08/21/73/354082173.db2.gz WRYKFZHWSWAFIC-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419836373 354082352 /nfs/dbraw/zinc/08/23/52/354082352.db2.gz BMNXUVMQRHSYGL-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)NCC[NH3+] ZINC000419838373 354083476 /nfs/dbraw/zinc/08/34/76/354083476.db2.gz OAEBOGQIQNWCPK-UHFFFAOYSA-N 2 0 286.420 -0.112 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCC[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000419839249 354083495 /nfs/dbraw/zinc/08/34/95/354083495.db2.gz QBUYNVNNTKWJDT-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000419849088 354084486 /nfs/dbraw/zinc/08/44/86/354084486.db2.gz WTJZBRQGHYWKQK-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCCC[NH2+]C)C(C)C ZINC000419853444 354085730 /nfs/dbraw/zinc/08/57/30/354085730.db2.gz SIEALRGADRQGOC-UHFFFAOYSA-N 2 0 272.393 -0.441 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419862211 354086027 /nfs/dbraw/zinc/08/60/27/354086027.db2.gz MWHUBWNZANXETF-ZDUSSCGKSA-N 2 0 298.431 -0.114 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)C(C)C ZINC000419871980 354087007 /nfs/dbraw/zinc/08/70/07/354087007.db2.gz TYEYSNUHLWEBHY-LBPRGKRZSA-N 2 0 284.404 -0.314 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419285502 354044289 /nfs/dbraw/zinc/04/42/89/354044289.db2.gz MNDNVIBPYYBPKL-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000419316099 354045892 /nfs/dbraw/zinc/04/58/92/354045892.db2.gz KTBXANSCTJLDIR-QWRGUYRKSA-N 2 0 280.372 -0.840 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419337937 354046776 /nfs/dbraw/zinc/04/67/76/354046776.db2.gz RMJBHYPPFAPQHO-NQBHXWOUSA-N 2 0 294.399 -0.594 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000419337536 354046899 /nfs/dbraw/zinc/04/68/99/354046899.db2.gz QUCJRAXGKRYHHR-LOWVWBTDSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419341158 354046998 /nfs/dbraw/zinc/04/69/98/354046998.db2.gz YAJGTLHPRHORSR-JQWIXIFHSA-N 2 0 294.399 -0.417 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419333985 354047348 /nfs/dbraw/zinc/04/73/48/354047348.db2.gz MUSXMJZPCCXYOK-CMPLNLGQSA-N 2 0 280.372 -0.983 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000419324546 354047417 /nfs/dbraw/zinc/04/74/17/354047417.db2.gz VQNMHJPSWHCBAS-UTUOFQBUSA-N 2 0 296.415 -0.158 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000419401435 354050557 /nfs/dbraw/zinc/05/05/57/354050557.db2.gz BBDODVLOFOPEDU-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000419403016 354051443 /nfs/dbraw/zinc/05/14/43/354051443.db2.gz CZCLNDPKKYNWTD-YPMHNXCESA-N 2 0 296.415 -0.312 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419404614 354051599 /nfs/dbraw/zinc/05/15/99/354051599.db2.gz GIVCRSKDRYZTPS-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000419412664 354052416 /nfs/dbraw/zinc/05/24/16/354052416.db2.gz RDVLAOPYZIBOAN-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419415132 354052455 /nfs/dbraw/zinc/05/24/55/354052455.db2.gz USTQTHBGSHAMRG-GFCCVEGCSA-N 2 0 282.388 -0.687 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000419409623 354052489 /nfs/dbraw/zinc/05/24/89/354052489.db2.gz NFRYIYQMUVTYNY-QWHCGFSZSA-N 2 0 298.431 -0.194 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000419411048 354052520 /nfs/dbraw/zinc/05/25/20/354052520.db2.gz PTUGYQIRWVSYTL-LLVKDONJSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000419408864 354052688 /nfs/dbraw/zinc/05/26/88/354052688.db2.gz MFUVFCYVMHEBME-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NCC[NH3+])C1 ZINC000419423444 354053529 /nfs/dbraw/zinc/05/35/29/354053529.db2.gz NJFLYWHGTJSUCV-VXGBXAGGSA-N 2 0 284.404 -0.455 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419421145 354053658 /nfs/dbraw/zinc/05/36/58/354053658.db2.gz LHFIRQKTEGPWDG-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419419928 354053806 /nfs/dbraw/zinc/05/38/06/354053806.db2.gz JILHMTVHXXZPQN-WCQYABFASA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000419432680 354054637 /nfs/dbraw/zinc/05/46/37/354054637.db2.gz YPQKXNJDWVECGL-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)C1CC1 ZINC000419502245 354056431 /nfs/dbraw/zinc/05/64/31/354056431.db2.gz CLYLYFYVGBLMKZ-DGCLKSJQSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419521552 354057638 /nfs/dbraw/zinc/05/76/38/354057638.db2.gz KDYTWPXTXIAZSM-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419530420 354058123 /nfs/dbraw/zinc/05/81/23/354058123.db2.gz ZHUNOYIBVWGHDM-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CC[NH3+] ZINC000419528938 354058261 /nfs/dbraw/zinc/05/82/61/354058261.db2.gz XCRISCNIECYDTC-JTQLQIEISA-N 2 0 258.366 -0.750 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419525590 354058299 /nfs/dbraw/zinc/05/82/99/354058299.db2.gz ROQLLZWITDKZOH-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)C1CC1 ZINC000419530289 354058379 /nfs/dbraw/zinc/05/83/79/354058379.db2.gz YUKSZGWZPOYHBW-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419524917 354058434 /nfs/dbraw/zinc/05/84/34/354058434.db2.gz QOOUDQLKLBAORZ-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419526362 354058769 /nfs/dbraw/zinc/05/87/69/354058769.db2.gz SWGQFRIPIMCXKZ-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419525648 354058774 /nfs/dbraw/zinc/05/87/74/354058774.db2.gz RXFLMGFSNBYGOS-JQWIXIFHSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000419536609 354059408 /nfs/dbraw/zinc/05/94/08/354059408.db2.gz AXSVKOJQDSNTMS-GHMZBOCLSA-N 2 0 286.420 -0.068 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000419537170 354059668 /nfs/dbraw/zinc/05/96/68/354059668.db2.gz CGMZFBLGEKOAAS-ZJUUUORDSA-N 2 0 272.393 -0.458 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000419537168 354059704 /nfs/dbraw/zinc/05/97/04/354059704.db2.gz CGMZFBLGEKOAAS-UWVGGRQHSA-N 2 0 272.393 -0.458 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CCC[N@@H+]1C ZINC000419543790 354060646 /nfs/dbraw/zinc/06/06/46/354060646.db2.gz GUGZPOGRGQXDEE-YVECIDJPSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])CCC[N@@H+]1C ZINC000419557303 354061052 /nfs/dbraw/zinc/06/10/52/354061052.db2.gz MFNPQYNFXZLJDI-ZJUUUORDSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)CCC[N@@H+]1C ZINC000419557092 354061298 /nfs/dbraw/zinc/06/12/98/354061298.db2.gz LUKMAYHZFYDTOM-QNWHQSFQSA-N 2 0 296.415 -0.158 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CCC[N@@H+]1C ZINC000419556018 354061366 /nfs/dbraw/zinc/06/13/66/354061366.db2.gz JZMJEMYCSROJMA-IJLUTSLNSA-N 2 0 282.388 -0.465 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000419887387 354089568 /nfs/dbraw/zinc/08/95/68/354089568.db2.gz JDJKSBKTCLMYDO-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419889807 354089615 /nfs/dbraw/zinc/08/96/15/354089615.db2.gz SDMBBSMPNJRBFJ-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419887257 354090151 /nfs/dbraw/zinc/09/01/51/354090151.db2.gz DEXKYOOSKYZYIP-QWHCGFSZSA-N 2 0 296.415 -0.204 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419895498 354090773 /nfs/dbraw/zinc/09/07/73/354090773.db2.gz OXELPAKESNCDBP-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000419896683 354090874 /nfs/dbraw/zinc/09/08/74/354090874.db2.gz UWYYNEOMBDXBQA-UHFFFAOYSA-N 2 0 270.377 -0.735 20 0 CBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419893403 354091054 /nfs/dbraw/zinc/09/10/54/354091054.db2.gz PYAIMNBBKWIXCY-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000419898203 354091730 /nfs/dbraw/zinc/09/17/30/354091730.db2.gz BOIDBUXAPBLDPF-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000419898202 354092081 /nfs/dbraw/zinc/09/20/81/354092081.db2.gz BOIDBUXAPBLDPF-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)C[NH+]1CCCCC1 ZINC000419897361 354092150 /nfs/dbraw/zinc/09/21/50/354092150.db2.gz YPWGSWRFAIJZPI-STQMWFEESA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000419927451 354094441 /nfs/dbraw/zinc/09/44/41/354094441.db2.gz CSHWODFTCOHOHS-AVGNSLFASA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000419948665 354095352 /nfs/dbraw/zinc/09/53/52/354095352.db2.gz KLWYTKWGASYYNW-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000419945096 354095416 /nfs/dbraw/zinc/09/54/16/354095416.db2.gz BZSJHJUEVXJNMT-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000419954423 354096422 /nfs/dbraw/zinc/09/64/22/354096422.db2.gz LWVUNNXOQFLGBE-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000419964316 354098041 /nfs/dbraw/zinc/09/80/41/354098041.db2.gz FTXOLDBXQVJZOA-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000419966383 354098090 /nfs/dbraw/zinc/09/80/90/354098090.db2.gz ZQZXQYWRXDMJHP-MNOVXSKESA-N 2 0 270.377 -0.750 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000419984798 354100366 /nfs/dbraw/zinc/10/03/66/354100366.db2.gz DMCQDEKJKLFCCX-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000420004482 354101032 /nfs/dbraw/zinc/10/10/32/354101032.db2.gz WGYWUSCEPOPXKH-LBPRGKRZSA-N 2 0 286.420 -0.114 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000420021004 354103260 /nfs/dbraw/zinc/10/32/60/354103260.db2.gz GRGPEWNTXIFGKK-TUAOUCFPSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000420026835 354103830 /nfs/dbraw/zinc/10/38/30/354103830.db2.gz JUEBIFWOHHQKDQ-SRVKXCTJSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000420034774 354104142 /nfs/dbraw/zinc/10/41/42/354104142.db2.gz JPJYHUGPNAQKCR-OLZOCXBDSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000420028508 354104307 /nfs/dbraw/zinc/10/43/07/354104307.db2.gz HHHAIDAHGFLMAO-QWHCGFSZSA-N 2 0 296.415 -0.219 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420072281 354107229 /nfs/dbraw/zinc/10/72/29/354107229.db2.gz YXRSJELHEVOICC-DGCLKSJQSA-N 2 0 296.415 -0.360 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420068423 354107526 /nfs/dbraw/zinc/10/75/26/354107526.db2.gz UVRJJPOFBAETNH-GFCCVEGCSA-N 2 0 284.404 -0.312 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420086896 354108109 /nfs/dbraw/zinc/10/81/09/354108109.db2.gz DWNOWVSWOFVDFX-UHFFFAOYSA-N 2 0 282.388 -0.462 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000420078192 354108384 /nfs/dbraw/zinc/10/83/84/354108384.db2.gz DVTYQLDMAIXMTG-UHFFFAOYSA-N 2 0 272.393 -0.360 20 0 CBADRP CN1CCN(C(=O)CC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000420299333 354122032 /nfs/dbraw/zinc/12/20/32/354122032.db2.gz ASOCNCZNIPNTCL-MELADBBJSA-N 2 0 280.416 -0.180 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420317618 354123062 /nfs/dbraw/zinc/12/30/62/354123062.db2.gz ZQXVVDSGACSNAA-MNOVXSKESA-N 2 0 271.361 -0.323 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCCC(=O)N1CC[NH2+]CC1 ZINC000420366287 354125523 /nfs/dbraw/zinc/12/55/23/354125523.db2.gz LZZNXXVSDZIPSS-MBNYWOFBSA-N 2 0 268.405 -0.216 20 0 CBADRP CCCN1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)CC1=O ZINC000420366162 354125770 /nfs/dbraw/zinc/12/57/70/354125770.db2.gz FPSSKUOJRZCCJN-UHFFFAOYSA-N 2 0 296.415 -0.247 20 0 CBADRP COC(=O)C[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000420358527 354125834 /nfs/dbraw/zinc/12/58/34/354125834.db2.gz JJJFKPYQHCJTFM-GFCCVEGCSA-N 2 0 283.372 -0.164 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000423217943 354165570 /nfs/dbraw/zinc/16/55/70/354165570.db2.gz SVORXEAWBWFUAA-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C[C@@H](C)[NH2+]1 ZINC000423245141 354165671 /nfs/dbraw/zinc/16/56/71/354165671.db2.gz YEHSBFQPQCHQCZ-JHJVBQTASA-N 2 0 296.415 -0.252 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423294917 354166562 /nfs/dbraw/zinc/16/65/62/354166562.db2.gz VPVKRPWJFPGJFQ-CHWSQXEVSA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC[NH2+]1 ZINC000423252607 354166743 /nfs/dbraw/zinc/16/67/43/354166743.db2.gz XTXXTRQWPVYKHU-VXGBXAGGSA-N 2 0 282.388 -0.641 20 0 CBADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423285712 354167146 /nfs/dbraw/zinc/16/71/46/354167146.db2.gz ZVPLRDJVPGLXDE-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP COC(=O)C[C@H](N)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000423325937 354167949 /nfs/dbraw/zinc/16/79/49/354167949.db2.gz KASVJARRUDODRW-MNOVXSKESA-N 2 0 271.361 -0.133 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000423340873 354170127 /nfs/dbraw/zinc/17/01/27/354170127.db2.gz XURHBBIKPGUQRJ-QWRGUYRKSA-N 2 0 273.377 -0.031 20 0 CBADRP CC[C@H]1CN(C(=O)C2(C)C[NH2+]C2)CC[N@@H+]1C[C@@H](C)O ZINC000423379206 354173526 /nfs/dbraw/zinc/17/35/26/354173526.db2.gz GKYXGWSYDBLUJA-NEPJUHHUSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000423382601 354173581 /nfs/dbraw/zinc/17/35/81/354173581.db2.gz DKPDLFXJHSCIAW-UWVGGRQHSA-N 2 0 259.350 -0.277 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000423377374 354173898 /nfs/dbraw/zinc/17/38/98/354173898.db2.gz LNWXJAFNHJCEHP-UHFFFAOYSA-N 2 0 296.415 -0.392 20 0 CBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423380087 354173936 /nfs/dbraw/zinc/17/39/36/354173936.db2.gz DIVIJBXMXLNCGO-CHWSQXEVSA-N 2 0 296.415 -0.121 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CCC[NH2+]C ZINC000423427321 354175644 /nfs/dbraw/zinc/17/56/44/354175644.db2.gz IQTBXAGYLPDCOG-UHFFFAOYSA-N 2 0 286.420 -0.146 20 0 CBADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[NH2+]CC1)C(C)C ZINC000423414772 354175867 /nfs/dbraw/zinc/17/58/67/354175867.db2.gz NZLOATFOZLYWHZ-UHFFFAOYSA-N 2 0 298.431 -0.005 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000423440368 354176232 /nfs/dbraw/zinc/17/62/32/354176232.db2.gz XBQJMMRZNNYQSM-CHWSQXEVSA-N 2 0 298.431 -0.018 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000423440369 354176621 /nfs/dbraw/zinc/17/66/21/354176621.db2.gz XBQJMMRZNNYQSM-OLZOCXBDSA-N 2 0 298.431 -0.018 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422268774 354144396 /nfs/dbraw/zinc/14/43/96/354144396.db2.gz KTQAJJRYCYBTQE-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422268775 354144730 /nfs/dbraw/zinc/14/47/30/354144730.db2.gz KTQAJJRYCYBTQE-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+](C)[C@@H]2C)C1 ZINC000422422744 354146982 /nfs/dbraw/zinc/14/69/82/354146982.db2.gz GNXMTYFKXKFFOS-AGIUHOORSA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422534786 354148218 /nfs/dbraw/zinc/14/82/18/354148218.db2.gz BNVBCKNYHAQBSH-CZXHOFHRSA-N 2 0 298.431 -0.082 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423058943 354161065 /nfs/dbraw/zinc/16/10/65/354161065.db2.gz DKNGTVRKVPPVQU-AVGNSLFASA-N 2 0 296.415 -0.408 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC[NH3+] ZINC000423518910 354178650 /nfs/dbraw/zinc/17/86/50/354178650.db2.gz PKLSKYUSMJOBLS-UHFFFAOYSA-N 2 0 272.393 -0.406 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423507495 354178656 /nfs/dbraw/zinc/17/86/56/354178656.db2.gz MYGVFUZKKXSBNF-UHFFFAOYSA-N 2 0 270.377 -0.783 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423526274 354179118 /nfs/dbraw/zinc/17/91/18/354179118.db2.gz QDCADMSIXMHCIQ-TXEJJXNPSA-N 2 0 294.399 -0.783 20 0 CBADRP CC(C)NC(=O)CN(C)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423558217 354180075 /nfs/dbraw/zinc/18/00/75/354180075.db2.gz LBAKXSMYEZRJNW-NWDGAFQWSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000423607513 354183697 /nfs/dbraw/zinc/18/36/97/354183697.db2.gz MVECDMDLWUEFFJ-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP CCN1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423623843 354185555 /nfs/dbraw/zinc/18/55/55/354185555.db2.gz CICBSZIABABGSN-VXGBXAGGSA-N 2 0 282.388 -0.641 20 0 CBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000423624999 354185956 /nfs/dbraw/zinc/18/59/56/354185956.db2.gz CIWNPKANEDCIMF-FVCCEPFGSA-N 2 0 296.415 -0.267 20 0 CBADRP COC[C@]1(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CCC[NH2+]1 ZINC000423630971 354186840 /nfs/dbraw/zinc/18/68/40/354186840.db2.gz FXRDPANTZKEEAY-DZGCQCFKSA-N 2 0 299.415 -0.020 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423646748 354188395 /nfs/dbraw/zinc/18/83/95/354188395.db2.gz MHUIXXSULGSTAD-QWHCGFSZSA-N 2 0 296.415 -0.264 20 0 CBADRP CCN1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423667686 354189949 /nfs/dbraw/zinc/18/99/49/354189949.db2.gz JJEPADHDAHYNLN-RYUDHWBXSA-N 2 0 282.388 -0.654 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1COCCN1C1CCCC1 ZINC000423663392 354190274 /nfs/dbraw/zinc/19/02/74/354190274.db2.gz GCZFJEPMTWFHBI-FPMFFAJLSA-N 2 0 297.399 -0.674 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000423694361 354191807 /nfs/dbraw/zinc/19/18/07/354191807.db2.gz ATSBAIMOICXDHE-CYBMUJFWSA-N 2 0 273.340 -0.032 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000423716161 354193032 /nfs/dbraw/zinc/19/30/32/354193032.db2.gz IASDAMKCUSBIRY-NWDGAFQWSA-N 2 0 284.404 -0.265 20 0 CBADRP C[NH+](C)C[C@H]1CCCN1C(=O)CCOC1C[NH2+]C1 ZINC000423747118 354195839 /nfs/dbraw/zinc/19/58/39/354195839.db2.gz RUPOEPNWJCIRLF-LLVKDONJSA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@@H]1CN(CCN(C)C(=O)C[C@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000423756467 354197383 /nfs/dbraw/zinc/19/73/83/354197383.db2.gz BHSRSWXOJHDRTK-MJBXVCDLSA-N 2 0 299.415 -0.068 20 0 CBADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000423779445 354199306 /nfs/dbraw/zinc/19/93/06/354199306.db2.gz UZPVDVJJEBHLFV-NWDGAFQWSA-N 2 0 255.362 -0.227 20 0 CBADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)C[NH2+]CC3CC3)[C@H]2C1 ZINC000423934978 354205433 /nfs/dbraw/zinc/20/54/33/354205433.db2.gz XPSBTRBVGIQYEF-STQMWFEESA-N 2 0 267.373 -0.083 20 0 CBADRP O=C(COC1C[NH2+]C1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423926226 354205451 /nfs/dbraw/zinc/20/54/51/354205451.db2.gz CVMVGBJMCCCSRN-UONOGXRCSA-N 2 0 275.352 -0.153 20 0 CBADRP CN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H](C[NH3+])C1CC1 ZINC000423941847 354206369 /nfs/dbraw/zinc/20/63/69/354206369.db2.gz DFBAQGFLJYHSNE-QWHCGFSZSA-N 2 0 296.415 -0.408 20 0 CBADRP C[NH+](C)CCCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424140646 354210726 /nfs/dbraw/zinc/21/07/26/354210726.db2.gz SOVUCSYCJFNFKG-LLVKDONJSA-N 2 0 280.376 -0.116 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000424137463 354210756 /nfs/dbraw/zinc/21/07/56/354210756.db2.gz BXKOKXAAVZGGGH-SDDRHHMPSA-N 2 0 253.346 -0.486 20 0 CBADRP CCC[NH2+]CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424139000 354210818 /nfs/dbraw/zinc/21/08/18/354210818.db2.gz CYGBYYSHVWYTRK-LLVKDONJSA-N 2 0 280.376 -0.068 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000424150753 354212536 /nfs/dbraw/zinc/21/25/36/354212536.db2.gz ZIZMYXPMYTYWED-WCFLWFBJSA-N 2 0 267.373 -0.049 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@H]2COCCN2)C[C@H]1N1CCOCC1 ZINC000424166563 354212960 /nfs/dbraw/zinc/21/29/60/354212960.db2.gz GGFZDYFRFIJQJR-MGPQQGTHSA-N 2 0 297.399 -0.456 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000423501247 354178527 /nfs/dbraw/zinc/17/85/27/354178527.db2.gz JCDYWEDXJRVUAO-UHFFFAOYSA-N 2 0 286.420 -0.147 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428195325 354245974 /nfs/dbraw/zinc/24/59/74/354245974.db2.gz NSXVKMXRGBABJU-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000430877302 354250737 /nfs/dbraw/zinc/25/07/37/354250737.db2.gz WMLUVKQTVSFSPB-LBPRGKRZSA-N 2 0 282.388 -0.510 20 0 CBADRP C[C@@H](CNC(=O)C(C)(C)[NH3+])C[NH+]1CCN(C)CC1 ZINC000431002981 354251471 /nfs/dbraw/zinc/25/14/71/354251471.db2.gz FAUDVJKYCPHOHV-NSHDSACASA-N 2 0 256.394 -0.277 20 0 CBADRP CC(C)[C@H](C[NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000433174755 354253092 /nfs/dbraw/zinc/25/30/92/354253092.db2.gz KHGDNFYPLPJZHS-OLZOCXBDSA-N 2 0 298.431 -0.079 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)C[NH+]1CCN(C)CC1 ZINC000444264054 354266440 /nfs/dbraw/zinc/26/64/40/354266440.db2.gz BSIZCCMCCBBMGJ-YCPHGPKFSA-N 2 0 294.443 -0.014 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424226058 354220392 /nfs/dbraw/zinc/22/03/92/354220392.db2.gz NUOHYNKPHOFVFU-TVYUQYBPSA-N 2 0 277.372 -0.186 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424226056 354220484 /nfs/dbraw/zinc/22/04/84/354220484.db2.gz NUOHYNKPHOFVFU-JIMOISOXSA-N 2 0 277.372 -0.186 20 0 CBADRP COCC(C)(C)[NH+]1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000424289888 354222377 /nfs/dbraw/zinc/22/23/77/354222377.db2.gz CPLHDKQTGJOXAN-UHFFFAOYSA-N 2 0 284.448 -0.066 20 0 CBADRP CC[C@H]1CN(C(=O)[C@H]2CC[NH2+]C2)CC[N@@H+]1C[C@H](C)O ZINC000446365212 354286868 /nfs/dbraw/zinc/28/68/68/354286868.db2.gz VMDGDPCTWPSFFT-AVGNSLFASA-N 2 0 269.389 -0.101 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000447439120 354298477 /nfs/dbraw/zinc/29/84/77/354298477.db2.gz JCUGCKVIBFSHAT-CYBMUJFWSA-N 2 0 286.420 -0.508 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000447436579 354298850 /nfs/dbraw/zinc/29/88/50/354298850.db2.gz ADOBDMVSULDHMT-ZMLRMANQSA-N 2 0 255.362 -0.051 20 0 CBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000444273073 354267351 /nfs/dbraw/zinc/26/73/51/354267351.db2.gz ZQYLWBFQEAHZMF-NWDGAFQWSA-N 2 0 253.346 -0.471 20 0 CBADRP CN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C1(C[NH3+])CCC1 ZINC000449685045 354320425 /nfs/dbraw/zinc/32/04/25/354320425.db2.gz MQSBXWRKERHFGC-LBPRGKRZSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000449601669 354320806 /nfs/dbraw/zinc/32/08/06/354320806.db2.gz NNSPVJQFDGZYIK-DCAQKATOSA-N 2 0 270.377 -0.752 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H]1C[NH2+]CCN1C)[NH+](C)C ZINC000449695612 354321521 /nfs/dbraw/zinc/32/15/21/354321521.db2.gz IVKURAKWQIJRFM-VXGBXAGGSA-N 2 0 256.394 -0.408 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CC[NH2+]C2(C)C)CC1=O ZINC000449749896 354321920 /nfs/dbraw/zinc/32/19/20/354321920.db2.gz HDTWULNYJYGZGB-RYUDHWBXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCOCC[NH+](C)C ZINC000487237209 354412662 /nfs/dbraw/zinc/41/26/62/354412662.db2.gz XWPBJUCBFSYDTH-NEPJUHHUSA-N 2 0 257.378 -0.122 20 0 CBADRP C[NH+](C)C/C=C/C(=O)NCCCN1CC[NH+](C)CC1 ZINC000491896258 354462306 /nfs/dbraw/zinc/46/23/06/354462306.db2.gz ZANBUAXOYZBJTG-GQCTYLIASA-N 2 0 268.405 -0.142 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CC[NH2+]1 ZINC000573954143 334980228 /nfs/dbraw/zinc/98/02/28/334980228.db2.gz VXHUNWDJNQPUEY-WDEREUQCSA-N 2 0 268.361 -0.806 20 0 CBADRP COC(=O)[C@H]1CN(C(=O)/C=C/C[NH+](C)C)CC[N@H+](C)C1 ZINC000493236634 354491344 /nfs/dbraw/zinc/49/13/44/354491344.db2.gz HKLWVVKPVOCIFY-BTDICHCPSA-N 2 0 283.372 -0.333 20 0 CBADRP CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000514735447 354555241 /nfs/dbraw/zinc/55/52/41/354555241.db2.gz DEDVPFKRDWOZGN-JQWIXIFHSA-N 2 0 280.372 -0.840 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000519403083 354560935 /nfs/dbraw/zinc/56/09/35/354560935.db2.gz PXIAKVYYYBICNC-VXGBXAGGSA-N 2 0 253.346 -0.282 20 0 CBADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000535715293 354602318 /nfs/dbraw/zinc/60/23/18/354602318.db2.gz JXPLZVLJNYBKRU-HIFRSBDPSA-N 2 0 292.427 -0.023 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000519635691 354565598 /nfs/dbraw/zinc/56/55/98/354565598.db2.gz AIUIEOUJOPZCPJ-FRRDWIJNSA-N 2 0 296.415 -0.170 20 0 CBADRP COC(=O)CN1CCC[C@H](CNC(=O)C2([NH3+])CCC2)C1 ZINC000519644032 354565868 /nfs/dbraw/zinc/56/58/68/354565868.db2.gz LEIDKJLMGAXDJF-LLVKDONJSA-N 2 0 283.372 -0.131 20 0 CBADRP COC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000520408518 354566358 /nfs/dbraw/zinc/56/63/58/354566358.db2.gz YLFOYGHVLPOFJT-YNEHKIRRSA-N 2 0 263.341 -0.168 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529310104 354583951 /nfs/dbraw/zinc/58/39/51/354583951.db2.gz PAZMLBKAUZBNCQ-WDEREUQCSA-N 2 0 256.350 -0.632 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529320567 354584660 /nfs/dbraw/zinc/58/46/60/354584660.db2.gz YNEUFSYVELSWBW-MDZLAQPJSA-N 2 0 282.388 -0.243 20 0 CBADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529388951 354584762 /nfs/dbraw/zinc/58/47/62/354584762.db2.gz VDBARZDHEVIFIB-NEPJUHHUSA-N 2 0 270.377 -0.290 20 0 CBADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529388954 354585073 /nfs/dbraw/zinc/58/50/73/354585073.db2.gz VDBARZDHEVIFIB-NWDGAFQWSA-N 2 0 270.377 -0.290 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000546590482 354653680 /nfs/dbraw/zinc/65/36/80/354653680.db2.gz BXFBFWMGJTWCQE-DOMZBBRYSA-N 2 0 296.415 -0.164 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000547296323 354657508 /nfs/dbraw/zinc/65/75/08/354657508.db2.gz XIDABEJPAWDJOR-YDHLFZDLSA-N 2 0 296.415 -0.021 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000537567800 354610187 /nfs/dbraw/zinc/61/01/87/354610187.db2.gz YPAAMQCFTRONAG-QLFBSQMISA-N 2 0 285.432 -0.049 20 0 CBADRP COc1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn1C ZINC000547535409 354662689 /nfs/dbraw/zinc/66/26/89/354662689.db2.gz NTVHMRLLXZJBNC-UHFFFAOYSA-N 2 0 297.403 -0.006 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CC1)C(=O)NCC[NH+](C)C ZINC000556901332 354683720 /nfs/dbraw/zinc/68/37/20/354683720.db2.gz MMNRTAUUZIGFHU-AAEUAGOBSA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000557199006 354685280 /nfs/dbraw/zinc/68/52/80/354685280.db2.gz JNTHRLWDPQLBLO-LBPRGKRZSA-N 2 0 299.419 -0.554 20 0 CBADRP COC[C@]1(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])CCC[NH2+]1 ZINC000562815805 354688401 /nfs/dbraw/zinc/68/84/01/354688401.db2.gz BFHSNTYVUDCHCD-TZMCWYRMSA-N 2 0 299.419 -0.961 20 0 CBADRP COCC1(CNC(=O)C[NH2+]C[C@@H]2CCCO2)CC[NH2+]CC1 ZINC000562977769 354690568 /nfs/dbraw/zinc/69/05/68/354690568.db2.gz NDOLCSCBJLSLBH-ZDUSSCGKSA-N 2 0 299.415 -0.113 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000562976826 354690578 /nfs/dbraw/zinc/69/05/78/354690578.db2.gz SKQMXKUYNQGKDH-MTVMDMGHSA-N 2 0 253.346 -0.441 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C12CCC[NH+]1CCC2 ZINC000562981395 354691095 /nfs/dbraw/zinc/69/10/95/354691095.db2.gz IUFLVPHZZMEIDT-NSHDSACASA-N 2 0 253.346 -0.281 20 0 CBADRP C[C@H]1CN(CCO)CCN1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000563034940 354692607 /nfs/dbraw/zinc/69/26/07/354692607.db2.gz DNWUYUHKZMWVHJ-STQMWFEESA-N 2 0 296.415 -0.069 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CCC[NH2+]C1 ZINC000563106765 354696509 /nfs/dbraw/zinc/69/65/09/354696509.db2.gz APTHCVZUENNOBG-NEPJUHHUSA-N 2 0 282.388 -0.640 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)NCC[C@H]1CC[NH2+]C1 ZINC000563100220 354696585 /nfs/dbraw/zinc/69/65/85/354696585.db2.gz XBOYOOSXFSLYHQ-VXGBXAGGSA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH2+][C@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)c1cnn(C)c1 ZINC000563101036 354696610 /nfs/dbraw/zinc/69/66/10/354696610.db2.gz PSAJKMXLTLPBDS-MNOVXSKESA-N 2 0 251.334 -0.499 20 0 CBADRP C[NH2+][C@H](C(=O)N(C)[C@H]1CC[NH2+]C1)c1cnn(C)c1 ZINC000563101037 354696615 /nfs/dbraw/zinc/69/66/15/354696615.db2.gz PSAJKMXLTLPBDS-QWRGUYRKSA-N 2 0 251.334 -0.499 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CCC[NH2+]C1 ZINC000563106767 354696731 /nfs/dbraw/zinc/69/67/31/354696731.db2.gz APTHCVZUENNOBG-RYUDHWBXSA-N 2 0 282.388 -0.640 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000563106946 354696932 /nfs/dbraw/zinc/69/69/32/354696932.db2.gz YEDZKTFIPJDAMK-MNOVXSKESA-N 2 0 270.377 -0.717 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)c1cnn(C)c1 ZINC000563111096 354697744 /nfs/dbraw/zinc/69/77/44/354697744.db2.gz QBIZOUXWFHJFJD-SCVCMEIPSA-N 2 0 265.361 -0.124 20 0 CBADRP C[N@H+](C[C@H](O)CNC[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000563137262 354698090 /nfs/dbraw/zinc/69/80/90/354698090.db2.gz COLMGTXCXCXZCM-HUUCEWRRSA-N 2 0 285.432 -0.122 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000563158401 354699565 /nfs/dbraw/zinc/69/95/65/354699565.db2.gz NGQIXMZZMFRAPV-NSHDSACASA-N 2 0 265.361 -0.327 20 0 CBADRP O=C1CNC(=O)N1CC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000563154630 354699756 /nfs/dbraw/zinc/69/97/56/354699756.db2.gz RKBOZVRUBVOKSS-RYUDHWBXSA-N 2 0 280.372 -0.140 20 0 CBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000563153678 354699787 /nfs/dbraw/zinc/69/97/87/354699787.db2.gz DMONATIIWCUNGD-OUAUKWLOSA-N 2 0 268.361 -0.109 20 0 CBADRP Cn1ccc(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000563762152 354705129 /nfs/dbraw/zinc/70/51/29/354705129.db2.gz NYMWDHNNFIARMH-UHFFFAOYSA-N 2 0 281.404 -0.086 20 0 CBADRP C[C@H](CNC(=O)C1([NH3+])CCC1)N1CC[NH+](C)CC1 ZINC000564208287 354710580 /nfs/dbraw/zinc/71/05/80/354710580.db2.gz BDQSUCKSKGNRPK-LLVKDONJSA-N 2 0 254.378 -0.380 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000564456792 354712827 /nfs/dbraw/zinc/71/28/27/354712827.db2.gz ORYCOFVIUXDVGQ-NWDGAFQWSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000564567501 354713547 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CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H](CO)CC2CCC2)CC1 ZINC000564976603 354723586 /nfs/dbraw/zinc/72/35/86/354723586.db2.gz WBASSMKKKBFBRB-CABCVRRESA-N 2 0 285.432 -0.265 20 0 CBADRP C[N@H+](CC[C@H]1CC[NH2+]C1)CC(=O)N1CC[NH2+]CC1 ZINC000564988091 354725015 /nfs/dbraw/zinc/72/50/15/354725015.db2.gz FSEFRKLWZRPNNA-GFCCVEGCSA-N 3 0 254.378 -0.650 20 0 CBADRP C[NH+](C)CCOCCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000565831812 354746587 /nfs/dbraw/zinc/74/65/87/354746587.db2.gz HFTWEVWUROKCHQ-LLVKDONJSA-N 2 0 295.387 -0.205 20 0 CBADRP Cn1ncc2c1C[C@@H](C(=O)N1CCN(C)C[C@@H]1C[NH3+])CC2 ZINC000565891584 354747717 /nfs/dbraw/zinc/74/77/17/354747717.db2.gz SGCNNWVNDFHVPH-AAEUAGOBSA-N 2 0 291.399 -0.374 20 0 CBADRP COCC1(CNC(=O)C[C@H](C[NH3+])OC)CC[NH2+]CC1 ZINC000565950010 354748549 /nfs/dbraw/zinc/74/85/49/354748549.db2.gz IOTGODPDZACPIW-LLVKDONJSA-N 2 0 273.377 -0.517 20 0 CBADRP [NH3+]C[C@@H](NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)C1CC1 ZINC000565950142 354748554 /nfs/dbraw/zinc/74/85/54/354748554.db2.gz VLOBLKAHNVXQKZ-BXKDBHETSA-N 2 0 263.345 -0.046 20 0 CBADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCN3CCC4)[C@@H]2C1 ZINC000567582939 354790948 /nfs/dbraw/zinc/79/09/48/354790948.db2.gz DYVIFITXOVVMIH-RRFJBIMHSA-N 2 0 292.427 -0.071 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)C[C@H]21 ZINC000566206486 354757275 /nfs/dbraw/zinc/75/72/75/354757275.db2.gz BZJNEURIMFURTA-FDYHWXHSSA-N 2 0 294.399 -0.560 20 0 CBADRP CCCN(C(=O)[C@H]([NH3+])CCC(=O)OC)[C@@H]1CC[NH2+]C1 ZINC000566237178 354759037 /nfs/dbraw/zinc/75/90/37/354759037.db2.gz MJTDNSNZQCCVSQ-GHMZBOCLSA-N 2 0 271.361 -0.133 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000566296075 354762482 /nfs/dbraw/zinc/76/24/82/354762482.db2.gz OUHDRAFXKMHLPO-HZSPNIEDSA-N 2 0 298.431 -0.495 20 0 CBADRP [NH3+]CCC1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000566355615 354764336 /nfs/dbraw/zinc/76/43/36/354764336.db2.gz FAYCRSYCIWYCIO-UHFFFAOYSA-N 2 0 268.361 -0.994 20 0 CBADRP C[NH+](C)CCOCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000566450661 354767365 /nfs/dbraw/zinc/76/73/65/354767365.db2.gz IVGSUWCAXGKHTL-UHFFFAOYSA-N 2 0 297.403 -0.247 20 0 CBADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000566507813 354769735 /nfs/dbraw/zinc/76/97/35/354769735.db2.gz BRWSPFBIQCTBBB-LBPRGKRZSA-N 2 0 284.404 -0.117 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000566511616 354769752 /nfs/dbraw/zinc/76/97/52/354769752.db2.gz WTONFCMSXDFDTO-NHCYSSNCSA-N 2 0 280.372 -0.937 20 0 CBADRP CO[C@H](C[NH3+])C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000567604782 354791733 /nfs/dbraw/zinc/79/17/33/354791733.db2.gz BRQIDQDQXGNRAM-BXKDBHETSA-N 2 0 264.329 -0.190 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000566621559 354771968 /nfs/dbraw/zinc/77/19/68/354771968.db2.gz GSQGPLGSJTZPNL-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)O1 ZINC000566674150 354772732 /nfs/dbraw/zinc/77/27/32/354772732.db2.gz TVYCFWNMESCDGJ-MGPQQGTHSA-N 2 0 271.405 -0.248 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000566859141 354776428 /nfs/dbraw/zinc/77/64/28/354776428.db2.gz NLBVQMYUYGZIJK-QWRGUYRKSA-N 2 0 270.377 -0.430 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000567096265 354780205 /nfs/dbraw/zinc/78/02/05/354780205.db2.gz LESFQKBCMYEMDS-BNOWGMLFSA-N 2 0 295.431 -0.247 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000567096267 354780695 /nfs/dbraw/zinc/78/06/95/354780695.db2.gz LESFQKBCMYEMDS-MRVWCRGKSA-N 2 0 295.431 -0.247 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000567112001 354781402 /nfs/dbraw/zinc/78/14/02/354781402.db2.gz JJBQLHCRHIUHHY-BDAKNGLRSA-N 2 0 257.334 -0.476 20 0 CBADRP C[C@@]1(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC[NH2+]C1 ZINC000567110360 354781610 /nfs/dbraw/zinc/78/16/10/354781610.db2.gz AROPHKQOHBZBJK-GXTWGEPZSA-N 3 0 268.405 -0.227 20 0 CBADRP CC(C)([NH3+])CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000567109068 354781655 /nfs/dbraw/zinc/78/16/55/354781655.db2.gz RCEPPBCTRQQQFT-VIFPVBQESA-N 2 0 256.350 -0.902 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000567233929 354783375 /nfs/dbraw/zinc/78/33/75/354783375.db2.gz HKJIAJGKRBSOHS-NEPJUHHUSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]C1 ZINC000567267812 354784814 /nfs/dbraw/zinc/78/48/14/354784814.db2.gz QCRGFHOKFILCFQ-TUAOUCFPSA-N 2 0 255.362 -0.131 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000567350952 354785686 /nfs/dbraw/zinc/78/56/86/354785686.db2.gz JATIDELWFZWPHF-WDEREUQCSA-N 2 0 270.377 -0.656 20 0 CBADRP COC[C@@]1(CNC(=O)N2CC[NH2+][C@@H](C)C2)CCC[NH2+]1 ZINC000567362512 354786667 /nfs/dbraw/zinc/78/66/67/354786667.db2.gz DEIYDJGVWGKHOG-AAEUAGOBSA-N 2 0 270.377 -0.242 20 0 CBADRP O=C(COC1C[NH2+]C1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000567383638 354786939 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C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)C(=O)NCC[NH+]1CCCCC1 ZINC000565596940 354741061 /nfs/dbraw/zinc/74/10/61/354741061.db2.gz PIFBBOLUHPDSBB-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP COC[C@@]1(CNC(=O)C2(COC)CC[NH2+]CC2)CCC[NH2+]1 ZINC000567836249 354800006 /nfs/dbraw/zinc/80/00/06/354800006.db2.gz MSNSWHUQUWENAS-HNNXBMFYSA-N 2 0 299.415 -0.113 20 0 CBADRP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@@H](C[NH3+])C1CC1 ZINC000567847199 354800860 /nfs/dbraw/zinc/80/08/60/354800860.db2.gz CJIYQASTAVPEJD-MNOVXSKESA-N 2 0 268.361 -0.950 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C[C@]1(C)CC[NH2+]C1 ZINC000567864915 354801524 /nfs/dbraw/zinc/80/15/24/354801524.db2.gz ZBEWNAJZRIRPMV-CYBMUJFWSA-N 2 0 254.378 -0.650 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000567880066 354802455 /nfs/dbraw/zinc/80/24/55/354802455.db2.gz AYQXOECRBOQTDD-YFKTTZPYSA-N 2 0 284.404 -0.173 20 0 CBADRP C[N@H+](C[C@H](O)CN[C@H](CO)C[NH+]1CCCC1)C1CC1 ZINC000567874435 354802754 /nfs/dbraw/zinc/80/27/54/354802754.db2.gz NQLGCIYXCDVRNL-GXTWGEPZSA-N 2 0 271.405 -0.512 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000568857949 354833199 /nfs/dbraw/zinc/83/31/99/354833199.db2.gz WCMVXDVDORNKCT-TUAOUCFPSA-N 2 0 255.362 -0.003 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000567973505 354806726 /nfs/dbraw/zinc/80/67/26/354806726.db2.gz KTWTXSRKTACFMC-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1C[C@H](C)[NH+](CCO)C[C@H]1C ZINC000568181147 354814517 /nfs/dbraw/zinc/81/45/17/354814517.db2.gz LXBCISCMXYWZGI-MJBXVCDLSA-N 2 0 273.421 -0.314 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000568267712 354819284 /nfs/dbraw/zinc/81/92/84/354819284.db2.gz LONQKSREJCTVAB-MXWKQRLJSA-N 2 0 268.361 -0.855 20 0 CBADRP [NH3+]CC1(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CCCC1 ZINC000568264937 354819357 /nfs/dbraw/zinc/81/93/57/354819357.db2.gz HRNQAPPRKPLROB-QWRGUYRKSA-N 2 0 280.372 -0.724 20 0 CBADRP C[NH2+]C[C@@H]1CC[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000568270106 354819433 /nfs/dbraw/zinc/81/94/33/354819433.db2.gz PFQHLVFBZGLVKW-ZDUSSCGKSA-N 2 0 268.405 -0.308 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000568389416 354822564 /nfs/dbraw/zinc/82/25/64/354822564.db2.gz IMSNPQPVWFWHBB-JQWIXIFHSA-N 2 0 255.362 -0.036 20 0 CBADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000568609409 354827372 /nfs/dbraw/zinc/82/73/72/354827372.db2.gz YPIAKEBOFPRJPJ-STQMWFEESA-N 2 0 283.420 -0.374 20 0 CBADRP CO[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000568619716 354827813 /nfs/dbraw/zinc/82/78/13/354827813.db2.gz FYVXSCZBCSPAOZ-MGPQQGTHSA-N 2 0 271.405 -0.248 20 0 CBADRP [NH3+]C1(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CCC1 ZINC000568627913 354828638 /nfs/dbraw/zinc/82/86/38/354828638.db2.gz JUEOUYJVSLBTSN-JTQLQIEISA-N 2 0 278.360 -0.359 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000568629018 354828875 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CSC[C@@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000567690546 354793813 /nfs/dbraw/zinc/79/38/13/354793813.db2.gz DIAQRUNTVXBCPG-NEPJUHHUSA-N 2 0 261.435 -0.064 20 0 CBADRP CN1CCN(C(=O)N[C@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000567715604 354794338 /nfs/dbraw/zinc/79/43/38/354794338.db2.gz KJQHLRZFEZDMOF-WDEREUQCSA-N 2 0 255.366 -0.977 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000567717628 354794748 /nfs/dbraw/zinc/79/47/48/354794748.db2.gz XJBOYPKXBBAPQN-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1C[NH2+]CCO1 ZINC000567725778 354795668 /nfs/dbraw/zinc/79/56/68/354795668.db2.gz JVCJUZOJNKITDD-ZJUUUORDSA-N 2 0 259.375 -0.814 20 0 CBADRP O=C(COC1CC[NH2+]CC1)NCCCC[NH+]1CCOCC1 ZINC000567780375 354797337 /nfs/dbraw/zinc/79/73/37/354797337.db2.gz JSBVNEHYXMTKEI-UHFFFAOYSA-N 2 0 299.415 -0.016 20 0 CBADRP NC(=O)CC[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000570710417 354867640 /nfs/dbraw/zinc/86/76/40/354867640.db2.gz 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CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H]2C[NH2+]CCO2)C1(C)C ZINC000569240493 354840947 /nfs/dbraw/zinc/84/09/47/354840947.db2.gz DSDNMYDPCGGJSK-WDMOLILDSA-N 2 0 285.388 -0.377 20 0 CBADRP COC(=O)CCNC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000569245308 354841140 /nfs/dbraw/zinc/84/11/40/354841140.db2.gz GGFQNAZQTSXVSQ-UHFFFAOYSA-N 2 0 257.334 -0.664 20 0 CBADRP COC(=O)C(C)(C)CCN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000569260937 354841910 /nfs/dbraw/zinc/84/19/10/354841910.db2.gz WWYLVFANUYPUFK-GHMZBOCLSA-N 2 0 283.372 -0.181 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](CCOCC[NH3+])C1)S(C)(=O)=O ZINC000569811291 354847464 /nfs/dbraw/zinc/84/74/64/354847464.db2.gz QLTRMGHLFFDNJL-LBPRGKRZSA-N 2 0 293.433 -0.435 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000569844852 354848305 /nfs/dbraw/zinc/84/83/05/354848305.db2.gz BVAFHRZNSLBNNL-STQMWFEESA-N 2 0 296.415 -0.003 20 0 CBADRP CCOC[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000569960522 354850562 /nfs/dbraw/zinc/85/05/62/354850562.db2.gz KQPQTRHSJJFPGF-QWHCGFSZSA-N 2 0 287.404 -0.439 20 0 CBADRP CN(C)C(=O)CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000569972788 354851312 /nfs/dbraw/zinc/85/13/12/354851312.db2.gz VYBFEOISCAETEY-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000570440302 354862096 /nfs/dbraw/zinc/86/20/96/354862096.db2.gz GHEHFYYUPDTAIG-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000570635387 354866098 /nfs/dbraw/zinc/86/60/98/354866098.db2.gz FOYBWQOBLDYKHY-UHFFFAOYSA-N 2 0 256.350 -0.996 20 0 CBADRP O=C(CC[C@@H]1CC[NH2+]C1)NCCCN1CC[NH2+]CC1 ZINC000571998643 354884441 /nfs/dbraw/zinc/88/44/41/354884441.db2.gz PYMNHNKGNGIPSU-CYBMUJFWSA-N 2 0 268.405 -0.212 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCC[C@@H]1CCC[NH2+]1 ZINC000572036347 354885313 /nfs/dbraw/zinc/88/53/13/354885313.db2.gz MZTCVMUTQYIXEP-RYUDHWBXSA-N 2 0 282.388 -0.497 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000572641085 354893960 /nfs/dbraw/zinc/89/39/60/354893960.db2.gz ORACICAKTWOTKQ-RKDXNWHRSA-N 2 0 263.288 -0.522 20 0 CBADRP C[C@H]1C[C@H](NC(=O)c2cn(CCC[NH3+])nn2)C[N@@H+]1C1CC1 ZINC000572719347 354895838 /nfs/dbraw/zinc/89/58/38/354895838.db2.gz XFMFUGZKYVOQRB-QWRGUYRKSA-N 2 0 292.387 -0.018 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000572728259 354895931 /nfs/dbraw/zinc/89/59/31/354895931.db2.gz GMDAFCQMBFPHCV-LLVKDONJSA-N 2 0 272.393 -0.009 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000572768900 354897183 /nfs/dbraw/zinc/89/71/83/354897183.db2.gz KOKNGPIANFVKLN-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP O=C(CC[C@H]1CC[NH2+]C1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000572876572 354900277 /nfs/dbraw/zinc/90/02/77/354900277.db2.gz NCRJXBZOPRHYKH-JTQLQIEISA-N 2 0 293.375 -0.458 20 0 CBADRP c1cnc(N[C@@H]2CC[N@@H+](CCN3CC[NH2+]CC3)C2)nc1 ZINC000573091739 354904730 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0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000573442361 354912204 /nfs/dbraw/zinc/91/22/04/354912204.db2.gz IWSDDRSWWDGUBC-SDDRHHMPSA-N 2 0 299.419 -0.391 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000573507451 354914930 /nfs/dbraw/zinc/91/49/30/354914930.db2.gz YRVBNFHBNCKCKP-SRVKXCTJSA-N 2 0 280.372 -0.793 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(CO)CCCC2)CC1 ZINC000573565056 354915080 /nfs/dbraw/zinc/91/50/80/354915080.db2.gz QWTUGBMMRPFXDK-AWEZNQCLSA-N 2 0 285.432 -0.263 20 0 CBADRP C[NH+](C)CC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000573606312 354916589 /nfs/dbraw/zinc/91/65/89/354916589.db2.gz QRNSWRYXXZWPLO-UHFFFAOYSA-N 2 0 268.405 -0.119 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)C1 ZINC000571895546 354882882 /nfs/dbraw/zinc/88/28/82/354882882.db2.gz RZBWIZUYYNMAKM-ZJUUUORDSA-N 2 0 251.334 -0.001 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000571917863 354882905 /nfs/dbraw/zinc/88/29/05/354882905.db2.gz LBGJJFUGWDSSFD-SDDRHHMPSA-N 2 0 255.362 -0.049 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000573819654 354921851 /nfs/dbraw/zinc/92/18/51/354921851.db2.gz CHUHKXMBTDSTNN-NEPJUHHUSA-N 2 0 269.393 -0.717 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)[C@@H]2C1 ZINC000332291529 283062343 /nfs/dbraw/zinc/06/23/43/283062343.db2.gz TVDPMYKGDJORLF-JHJVBQTASA-N 2 0 294.399 -0.511 20 0 CBADRP O=c1c2c(ncn1CC1CC[NH2+]CC1)CC[NH2+]CC2 ZINC000573841489 354923028 /nfs/dbraw/zinc/92/30/28/354923028.db2.gz WBCKCPVJVSEORI-UHFFFAOYSA-N 2 0 262.357 -0.069 20 0 CBADRP C[C@@H](CNC(=O)C[NH2+]C1CC1)N1CC[NH+](C)CC1 ZINC000573916963 354924266 /nfs/dbraw/zinc/92/42/66/354924266.db2.gz GDBJFAOOIAVTOT-NSHDSACASA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000573864608 354924347 /nfs/dbraw/zinc/92/43/47/354924347.db2.gz RNMUARUDDYYJMU-OUAUKWLOSA-N 2 0 280.372 -0.794 20 0 CBADRP CO[C@@H]1CC[C@@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000574023978 354926450 /nfs/dbraw/zinc/92/64/50/354926450.db2.gz GYMMKMCEOMKMIW-IJLUTSLNSA-N 2 0 270.377 -0.162 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000578127177 354939153 /nfs/dbraw/zinc/93/91/53/354939153.db2.gz GNJLPLXZNGPLKC-WHOHXGKFSA-N 2 0 255.362 -0.003 20 0 CBADRP C[C@@]1(C[NH3+])CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000578126933 354939159 /nfs/dbraw/zinc/93/91/59/354939159.db2.gz HXWXVQSDBLMICP-YPMHNXCESA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C(=O)NCC[NH+](C)C ZINC000578247287 354941885 /nfs/dbraw/zinc/94/18/85/354941885.db2.gz QQWRCMHKAQUFBK-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cnn(C)c1 ZINC000578321118 354942944 /nfs/dbraw/zinc/94/29/44/354942944.db2.gz VEPUTCQCDSJLJR-MDZLAQPJSA-N 2 0 277.372 -0.252 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCOC(C)(C)C)CC1 ZINC000578316092 354943167 /nfs/dbraw/zinc/94/31/67/354943167.db2.gz MRHJMWDJXVZFDE-CYBMUJFWSA-N 2 0 273.421 -0.001 20 0 CBADRP [NH3+][C@@H](CC(=O)NCCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000578425595 354945984 /nfs/dbraw/zinc/94/59/84/354945984.db2.gz OXDHPSVJPBKEET-OAHLLOKOSA-N 2 0 290.411 -0.032 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000578442549 354946168 /nfs/dbraw/zinc/94/61/68/354946168.db2.gz XGZZAYIXXQQEFO-QWHCGFSZSA-N 2 0 293.371 -0.474 20 0 CBADRP CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000578490292 354946835 /nfs/dbraw/zinc/94/68/35/354946835.db2.gz VUPGYSQSXPNJQG-NNYUYHANSA-N 2 0 252.362 -0.060 20 0 CBADRP [NH3+]CCOc1ccc(NC(=O)COC2C[NH2+]C2)cc1 ZINC000578503914 354947411 /nfs/dbraw/zinc/94/74/11/354947411.db2.gz RQAVTAONHVLACI-UHFFFAOYSA-N 2 0 265.313 -0.049 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000578504856 354947959 /nfs/dbraw/zinc/94/79/59/354947959.db2.gz WAFHWCFQOXEBBZ-RWMBFGLXSA-N 2 0 294.399 -0.545 20 0 CBADRP CCN1C[C@@H](C)N(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C[C@H]1C ZINC000578670668 354952762 /nfs/dbraw/zinc/95/27/62/354952762.db2.gz VNAMQLIKFBFFGC-UTUOFQBUSA-N 2 0 282.388 -0.594 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000578890269 354956905 /nfs/dbraw/zinc/95/69/05/354956905.db2.gz IEFRSDCQWNIPOZ-SRVKXCTJSA-N 2 0 255.362 -0.131 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000578890272 354957591 /nfs/dbraw/zinc/95/75/91/354957591.db2.gz IEFRSDCQWNIPOZ-TUAOUCFPSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@]1(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000579005812 354959995 /nfs/dbraw/zinc/95/99/95/354959995.db2.gz RDFYOUYLJHXKRI-FZMZJTMJSA-N 2 0 282.388 -0.640 20 0 CBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000580942753 355001954 /nfs/dbraw/zinc/00/19/54/355001954.db2.gz ZYJUPBBEJCFBOZ-GFCCVEGCSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000579092212 354962335 /nfs/dbraw/zinc/96/23/35/354962335.db2.gz ZXBSAKTXQQNEDX-SNVBAGLBSA-N 2 0 268.361 -0.935 20 0 CBADRP CC1(C)CN(C(=O)c2cn(CCCC[NH3+])nn2)CC[NH2+]1 ZINC000579229510 354965268 /nfs/dbraw/zinc/96/52/68/354965268.db2.gz FARPKSXCVRFNJI-UHFFFAOYSA-N 2 0 280.376 -0.159 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000579256940 354967317 /nfs/dbraw/zinc/96/73/17/354967317.db2.gz LAJHSSSIZJKWAB-GXTWGEPZSA-N 2 0 267.373 -0.347 20 0 CBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)n1 ZINC000579373084 354968782 /nfs/dbraw/zinc/96/87/82/354968782.db2.gz WNESKQWNPFEANQ-AWEZNQCLSA-N 2 0 295.387 -0.759 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000579490672 354972373 /nfs/dbraw/zinc/97/23/73/354972373.db2.gz DDVGENQYJVGRTO-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP O=C(N1C[C@H]2C[NH2+]C[C@H]2C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000579591185 354974280 /nfs/dbraw/zinc/97/42/80/354974280.db2.gz XCHWSYMHGLPTOK-BETUJISGSA-N 2 0 289.383 -0.360 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CC23CC3)CC1 ZINC000579703635 354976328 /nfs/dbraw/zinc/97/63/28/354976328.db2.gz IDTMZFGBZAGUOY-QWHCGFSZSA-N 2 0 253.390 -0.016 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000579692521 354976338 /nfs/dbraw/zinc/97/63/38/354976338.db2.gz GAGOHXHEUXZHLD-CMPLNLGQSA-N 2 0 280.372 -0.983 20 0 CBADRP COCC[NH2+]CC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000579711818 354978129 /nfs/dbraw/zinc/97/81/29/354978129.db2.gz YKHGVCJFHDAFDP-UHFFFAOYSA-N 2 0 273.377 -0.645 20 0 CBADRP [NH3+][C@@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C1CC1 ZINC000579835053 354980840 /nfs/dbraw/zinc/98/08/40/354980840.db2.gz BHBNHGKSPZJKAK-MNOVXSKESA-N 2 0 278.360 -0.503 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)CCC[NH3+] ZINC000579948633 354984291 /nfs/dbraw/zinc/98/42/91/354984291.db2.gz QFBJIFBPWJKMAD-UHFFFAOYSA-N 2 0 256.394 -0.179 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)[C@H](C[NH3+])C1 ZINC000580053726 354985626 /nfs/dbraw/zinc/98/56/26/354985626.db2.gz JYKYIZMXVKKGLF-ZYHUDNBSSA-N 2 0 295.387 -0.966 20 0 CBADRP C[C@@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)N1CCN(C)CC1 ZINC000581012801 355003432 /nfs/dbraw/zinc/00/34/32/355003432.db2.gz VPXNITHJOXJSBT-ZFWWWQNUSA-N 2 0 280.416 -0.166 20 0 CBADRP [NH3+][C@@H](CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000580174231 354989042 /nfs/dbraw/zinc/98/90/42/354989042.db2.gz XLHUTUPBXDANQI-NEPJUHHUSA-N 2 0 280.372 -0.854 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000580315622 354993069 /nfs/dbraw/zinc/99/30/69/354993069.db2.gz LKKUGBCDXNHSCF-BETUJISGSA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000580951115 355001644 /nfs/dbraw/zinc/00/16/44/355001644.db2.gz VCYMOSMSZSWAQW-WCQYABFASA-N 2 0 255.362 -0.320 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000580950113 355001765 /nfs/dbraw/zinc/00/17/65/355001765.db2.gz HJFKNHPHEQLUKT-LLVKDONJSA-N 2 0 296.375 -0.923 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000580942428 355001873 /nfs/dbraw/zinc/00/18/73/355001873.db2.gz WHCOYBKNMZCVOP-ZDUSSCGKSA-N 3 0 285.436 -0.127 20 0 CBADRP COCC[NH2+]CC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000584350062 355030107 /nfs/dbraw/zinc/03/01/07/355030107.db2.gz KXRHHQOLUJJLSI-UHFFFAOYSA-N 2 0 298.431 -0.445 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000584350281 355030146 /nfs/dbraw/zinc/03/01/46/355030146.db2.gz ATVDOVWETPEZQZ-UTUOFQBUSA-N 2 0 282.388 -0.512 20 0 CBADRP CN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000584519392 355031345 /nfs/dbraw/zinc/03/13/45/355031345.db2.gz HMVKFYNNQVCAMP-AAEUAGOBSA-N 2 0 281.404 -0.493 20 0 CBADRP C[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@@H]1C[NH3+] ZINC000584590255 355032962 /nfs/dbraw/zinc/03/29/62/355032962.db2.gz SQEFPOYKFPNTGP-YFKTTZPYSA-N 2 0 255.362 -0.064 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000584588894 355033024 /nfs/dbraw/zinc/03/30/24/355033024.db2.gz JVLXXOIXAWXKCE-DMDPSCGWSA-N 2 0 287.429 -0.083 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@@H]1C[NH3+] ZINC000584590253 355033058 /nfs/dbraw/zinc/03/30/58/355033058.db2.gz SQEFPOYKFPNTGP-KXNHARMFSA-N 2 0 255.362 -0.064 20 0 CBADRP C[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000584719650 355035774 /nfs/dbraw/zinc/03/57/74/355035774.db2.gz LHVAICFLJCNDTQ-UHIISALHSA-N 2 0 282.388 -0.702 20 0 CBADRP COC(=O)c1cn(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)nn1 ZINC000584789747 355038011 /nfs/dbraw/zinc/03/80/11/355038011.db2.gz ARWZKCQEHLCVSZ-VHSXEESVSA-N 2 0 267.333 -0.076 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000581368353 355005086 /nfs/dbraw/zinc/00/50/86/355005086.db2.gz BYYATIQTIULSKF-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000581365268 355005665 /nfs/dbraw/zinc/00/56/65/355005665.db2.gz KVXYUJROFVDNBB-CVEARBPZSA-N 3 0 298.475 -0.084 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000582073161 355007467 /nfs/dbraw/zinc/00/74/67/355007467.db2.gz UXJICUOTBMHAJY-STQMWFEESA-N 2 0 296.415 -0.168 20 0 CBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000582120063 355008258 /nfs/dbraw/zinc/00/82/58/355008258.db2.gz CFLYKEFHPICSIV-ZDUSSCGKSA-N 2 0 299.415 -0.426 20 0 CBADRP [NH3+]CCc1nc(C(=O)NC[C@@H]2C[NH2+]CCCO2)cs1 ZINC000582242541 355012192 /nfs/dbraw/zinc/01/21/92/355012192.db2.gz HPTBFLUNKWKYDX-VIFPVBQESA-N 2 0 284.385 -0.247 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000582350471 355014081 /nfs/dbraw/zinc/01/40/81/355014081.db2.gz FBIMBNVEMSXPSZ-NEPJUHHUSA-N 2 0 294.399 -0.450 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000582418827 355015729 /nfs/dbraw/zinc/01/57/29/355015729.db2.gz STPKQNNHUYATKR-GXFFZTMASA-N 2 0 269.345 -0.521 20 0 CBADRP C[C@@]([NH3+])(C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000582421824 355016202 /nfs/dbraw/zinc/01/62/02/355016202.db2.gz RTLCNLZRWDMQMA-JSGCOSHPSA-N 2 0 263.341 -0.035 20 0 CBADRP [NH3+][C@H]1CCC[C@H](CNC(=O)CCOC2C[NH2+]C2)C1 ZINC000582600927 355016814 /nfs/dbraw/zinc/01/68/14/355016814.db2.gz JGZTZCAOSHZUEH-QWRGUYRKSA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000583871215 355023075 /nfs/dbraw/zinc/02/30/75/355023075.db2.gz SXNQYOCVYTUHSW-GHMZBOCLSA-N 2 0 278.360 -0.488 20 0 CBADRP Cc1noc(CCCN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)n1 ZINC000583883021 355024153 /nfs/dbraw/zinc/02/41/53/355024153.db2.gz CMTHMFVKZIZXSY-WDEREUQCSA-N 2 0 279.344 -0.446 20 0 CBADRP C[NH2+][C@H](C(=O)N1C[C@H](C)[C@H]([NH3+])C1)c1cnn(C)c1 ZINC000583993424 355026230 /nfs/dbraw/zinc/02/62/30/355026230.db2.gz BDYUCPQNIGJAQS-GDPRMGEGSA-N 2 0 251.334 -0.514 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])C[C@@H]21 ZINC000584047549 355028050 /nfs/dbraw/zinc/02/80/50/355028050.db2.gz NUDRRNKBGPJXIG-UTUOFQBUSA-N 2 0 280.372 -0.901 20 0 CBADRP C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000584051991 355028312 /nfs/dbraw/zinc/02/83/12/355028312.db2.gz DYOXVOKPPVAQCS-CMPLNLGQSA-N 2 0 294.355 -0.501 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCOCC(F)(F)F)CC1 ZINC000584108130 355029300 /nfs/dbraw/zinc/02/93/00/355029300.db2.gz NXFICRCKYLNQJH-LLVKDONJSA-N 2 0 299.337 -0.237 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000418564978 295896219 /nfs/dbraw/zinc/89/62/19/295896219.db2.gz KLHRAHZVAPROJV-NWDGAFQWSA-N 2 0 272.393 -0.274 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH2+]CCO3)[C@@H]2C1 ZINC000424179895 283072648 /nfs/dbraw/zinc/07/26/48/283072648.db2.gz ZLDXBPAYSJFYPM-IJLUTSLNSA-N 2 0 253.346 -0.473 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH2+]CCO3)[C@H]2C1 ZINC000424179893 283072683 /nfs/dbraw/zinc/07/26/83/283072683.db2.gz ZLDXBPAYSJFYPM-GRYCIOLGSA-N 2 0 253.346 -0.473 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000588975167 355063744 /nfs/dbraw/zinc/06/37/44/355063744.db2.gz FWSWJELQLRKSQA-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000591865379 355114172 /nfs/dbraw/zinc/11/41/72/355114172.db2.gz WWVLBYLFIVCNFN-LBPRGKRZSA-N 2 0 257.378 -0.025 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000591896877 355117039 /nfs/dbraw/zinc/11/70/39/355117039.db2.gz CGOGSSXHLLVJHL-RYUDHWBXSA-N 2 0 283.372 -0.133 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000591354704 355093382 /nfs/dbraw/zinc/09/33/82/355093382.db2.gz PLEJKSJPPWUJEE-SRVKXCTJSA-N 2 0 283.372 -0.262 20 0 CBADRP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000591427684 355095553 /nfs/dbraw/zinc/09/55/53/355095553.db2.gz JSEFJGIDXHNKLH-LBPRGKRZSA-N 2 0 282.388 -0.830 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000592554498 355162475 /nfs/dbraw/zinc/16/24/75/355162475.db2.gz MVLUBHRFURLTGD-UHIISALHSA-N 2 0 281.356 -0.651 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000592552555 355162561 /nfs/dbraw/zinc/16/25/61/355162561.db2.gz IJZRPCYPGHUYDK-SFYZADRCSA-N 2 0 279.287 -0.668 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000592552417 355162572 /nfs/dbraw/zinc/16/25/72/355162572.db2.gz HJEDCUOBTIGFAD-ZJUUUORDSA-N 2 0 269.345 -0.652 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000592320360 355147461 /nfs/dbraw/zinc/14/74/61/355147461.db2.gz BTSMPOWBZBNMBV-CABZTGNLSA-N 2 0 257.334 -0.617 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000592474865 355156434 /nfs/dbraw/zinc/15/64/34/355156434.db2.gz HFVGCMJGFGPSIP-ZJUUUORDSA-N 2 0 257.334 -0.523 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1CC[C@H]1CC[NH2+]C1 ZINC000592486515 355157550 /nfs/dbraw/zinc/15/75/50/355157550.db2.gz IEKJNECNHZQWRJ-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP COC(=O)c1cn([C@@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)nn1 ZINC000592495584 355158448 /nfs/dbraw/zinc/15/84/48/355158448.db2.gz MOQSKUGIENLOAR-GHMZBOCLSA-N 2 0 279.344 -0.079 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[N@H+](C)C(C)C ZINC000592962412 355187461 /nfs/dbraw/zinc/18/74/61/355187461.db2.gz FCNAMSGDFCDCLB-LLVKDONJSA-N 2 0 271.361 -0.310 20 0 CBADRP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000593913620 355229864 /nfs/dbraw/zinc/22/98/64/355229864.db2.gz BBMIEQDBOKOXSM-LBPRGKRZSA-N 2 0 279.340 -0.087 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000594186034 355237752 /nfs/dbraw/zinc/23/77/52/355237752.db2.gz IANHWVXDQHAVNQ-VXGBXAGGSA-N 2 0 255.362 -0.225 20 0 CBADRP COCC(C)(C)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594739788 355259118 /nfs/dbraw/zinc/25/91/18/355259118.db2.gz VEYLPKGODFFZFS-QWRGUYRKSA-N 2 0 255.362 -0.097 20 0 CBADRP CC(C)([NH3+])CCC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594873943 355266219 /nfs/dbraw/zinc/26/62/19/355266219.db2.gz WEQLJNHWHXUFET-NXEZZACHSA-N 2 0 268.361 -0.726 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[C@]34CCC[NH2+]C4)CCN2C1=O ZINC000594878016 355266765 /nfs/dbraw/zinc/26/67/65/355266765.db2.gz AZYONGFVJUMWSE-ZAZJYDDPSA-N 2 0 292.383 -0.854 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[C@@]34CCC[NH2+]C4)CCN2C1=O ZINC000594878015 355267087 /nfs/dbraw/zinc/26/70/87/355267087.db2.gz AZYONGFVJUMWSE-RTWAVKEYSA-N 2 0 292.383 -0.854 20 0 CBADRP CC(C)[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[C@@H](C)[NH3+] ZINC000594877974 355267091 /nfs/dbraw/zinc/26/70/91/355267091.db2.gz JKNQDHLOQISGPJ-KXNHARMFSA-N 2 0 282.388 -0.624 20 0 CBADRP COC(=O)CCN1CC[C@H]([N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)C1=O ZINC000595890172 355314303 /nfs/dbraw/zinc/31/43/03/355314303.db2.gz YYXAJOKQXZPBSU-UTUOFQBUSA-N 2 0 283.372 -0.181 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595895486 355315747 /nfs/dbraw/zinc/31/57/47/355315747.db2.gz OEGRAJRUYQGJCZ-VXGBXAGGSA-N 2 0 283.372 -0.656 20 0 CBADRP COC(=O)[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C[C@@H]1C ZINC000595905921 355317716 /nfs/dbraw/zinc/31/77/16/355317716.db2.gz XXTGIWSKDBTGBO-QWHCGFSZSA-N 2 0 297.399 -0.061 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[C@@H](C)[NH+](C)C ZINC000595939177 355321351 /nfs/dbraw/zinc/32/13/51/355321351.db2.gz GJRYLFTZLYNESY-NXEZZACHSA-N 2 0 259.350 -0.277 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000595949477 355326105 /nfs/dbraw/zinc/32/61/05/355326105.db2.gz DUXLBMDMAZUWAT-VHSXEESVSA-N 2 0 257.334 -0.652 20 0 CBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)C3([NH3+])CC4(CCC4)C3)CCN2C1=O ZINC000595971833 355331298 /nfs/dbraw/zinc/33/12/98/355331298.db2.gz SKYPGRWKMWGNNJ-QWRGUYRKSA-N 2 0 292.383 -0.582 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CCN2C1=O ZINC000595266078 355276454 /nfs/dbraw/zinc/27/64/54/355276454.db2.gz YYLLRKWOBMPCSW-NOOOWODRSA-N 2 0 295.387 -0.790 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[NH2+]1 ZINC000595264649 355276563 /nfs/dbraw/zinc/27/65/63/355276563.db2.gz DSNNNZZMXZPLMC-WISYIIOYSA-N 2 0 295.387 -0.920 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595268484 355277160 /nfs/dbraw/zinc/27/71/60/355277160.db2.gz VMJCKACJRIHOJN-BJDJZHNGSA-N 2 0 295.387 -0.933 20 0 CBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCC3([NH3+])CCCC3)CCN2C1=O ZINC000595270842 355277331 /nfs/dbraw/zinc/27/73/31/355277331.db2.gz MMYZJOGZIZYCSC-MNOVXSKESA-N 2 0 295.387 -0.789 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420317620 291064963 /nfs/dbraw/zinc/06/49/63/291064963.db2.gz ZQXVVDSGACSNAA-QWRGUYRKSA-N 2 0 271.361 -0.323 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598668676 355448992 /nfs/dbraw/zinc/44/89/92/355448992.db2.gz XMBAULPXIDYEMM-PTRXPTGYSA-N 2 0 255.318 -0.783 20 0 CBADRP COC(=O)CCNC(=O)CC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000600710012 355561785 /nfs/dbraw/zinc/56/17/85/355561785.db2.gz MQESUIKTYRJJTE-ZJUUUORDSA-N 2 0 257.334 -0.475 20 0 CBADRP COC(=O)CCNC(=O)CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000600708867 355562125 /nfs/dbraw/zinc/56/21/25/355562125.db2.gz HUCRLVLQZIDNFJ-QWRGUYRKSA-N 2 0 271.361 -0.227 20 0 CBADRP COC(=O)CCNC(=O)CC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000600710057 355562157 /nfs/dbraw/zinc/56/21/57/355562157.db2.gz NRYUHGOBEBEZFO-VHSXEESVSA-N 2 0 259.350 -0.229 20 0 CBADRP COC(=O)CCNC(=O)CC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000600710058 355562368 /nfs/dbraw/zinc/56/23/68/355562368.db2.gz NRYUHGOBEBEZFO-ZJUUUORDSA-N 2 0 259.350 -0.229 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000601269991 355583064 /nfs/dbraw/zinc/58/30/64/355583064.db2.gz JERJPFGYESBDKR-OLZOCXBDSA-N 2 0 283.420 -0.374 20 0 CBADRP COC(=O)CCNC(=O)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000600711580 355562491 /nfs/dbraw/zinc/56/24/91/355562491.db2.gz SHMVUVLNZHPODJ-GHMZBOCLSA-N 2 0 271.361 -0.085 20 0 CBADRP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCOCC[NH2+]C ZINC000600729363 355563233 /nfs/dbraw/zinc/56/32/33/355563233.db2.gz FLRQPBZLNVFWHQ-SNVBAGLBSA-N 2 0 274.365 -0.612 20 0 CBADRP COC(=O)CCN1CC[C@@H]([N@H+](C)CCOCC[NH3+])C1=O ZINC000600742464 355563558 /nfs/dbraw/zinc/56/35/58/355563558.db2.gz WGGZHQMLWOQPSB-LLVKDONJSA-N 2 0 287.360 -0.943 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000600732174 355564388 /nfs/dbraw/zinc/56/43/88/355564388.db2.gz XSUGOTIWAGWJDK-JTQLQIEISA-N 2 0 286.376 -0.469 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCC[NH+](C)C ZINC000601208729 355580135 /nfs/dbraw/zinc/58/01/35/355580135.db2.gz ZTZCSUVMPQXPCF-GFCCVEGCSA-N 2 0 271.409 -0.517 20 0 CBADRP C[NH+](C)C(C)(C)CNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602467145 355651759 /nfs/dbraw/zinc/65/17/59/355651759.db2.gz KWICGOPTMDGGDY-IBGZPJMESA-N 2 0 289.445 -0.057 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000602490646 355653873 /nfs/dbraw/zinc/65/38/73/355653873.db2.gz DXWATOKBIQGIFB-WDEREUQCSA-N 2 0 267.329 -0.603 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000602523738 355657330 /nfs/dbraw/zinc/65/73/30/355657330.db2.gz HOMLNXIZMNOHKD-WOPDTQHZSA-N 2 0 280.372 -0.901 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000602523707 355657407 /nfs/dbraw/zinc/65/74/07/355657407.db2.gz HMJKDVSWWDUIJT-UTUOFQBUSA-N 2 0 280.372 -0.759 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC[N@@H+]1C ZINC000602525148 355657446 /nfs/dbraw/zinc/65/74/46/355657446.db2.gz MYIGENHSSFIGML-MROQNXINSA-N 2 0 294.399 -0.513 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000602551406 355660903 /nfs/dbraw/zinc/66/09/03/355660903.db2.gz CXNVLFAELANBAS-AEJSXWLSSA-N 2 0 257.334 -0.476 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000602581979 355662183 /nfs/dbraw/zinc/66/21/83/355662183.db2.gz VBPWITAFZBICGW-UWVGGRQHSA-N 2 0 257.334 -0.393 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602590493 355663063 /nfs/dbraw/zinc/66/30/63/355663063.db2.gz IRCXRDFMMUOWGV-KXUCPTDWSA-N 2 0 255.318 -0.770 20 0 CBADRP COC(=O)[C@H]1CN(C(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+](C)C1 ZINC000602164645 355636855 /nfs/dbraw/zinc/63/68/55/355636855.db2.gz VZCOGJVIEKJJHX-QWHCGFSZSA-N 2 0 297.399 -0.109 20 0 CBADRP COC(=O)[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[N@H+](C)C1 ZINC000602165384 355637289 /nfs/dbraw/zinc/63/72/89/355637289.db2.gz ZXTTZOUDVPPMMO-GFCCVEGCSA-N 2 0 297.399 -0.109 20 0 CBADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419126023 295907618 /nfs/dbraw/zinc/90/76/18/295907618.db2.gz VEVUYWDXTXZKOZ-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP CN(C1CC1)S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000605585117 355736280 /nfs/dbraw/zinc/73/62/80/355736280.db2.gz CMTFPJNTRBZMCO-UHFFFAOYSA-N 2 0 292.449 -0.249 20 0 CBADRP C[NH+](C)C1(C(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000611696357 355808650 /nfs/dbraw/zinc/80/86/50/355808650.db2.gz PGLKUJVOUAHKLI-UHFFFAOYSA-N 2 0 255.362 -0.347 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612972015 355858559 /nfs/dbraw/zinc/85/85/59/355858559.db2.gz RFRAAMXDXJUWQI-STQMWFEESA-N 2 0 295.431 -0.327 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612974512 355858719 /nfs/dbraw/zinc/85/87/19/355858719.db2.gz HRXPMVSACLVHCD-DGCLKSJQSA-N 2 0 284.404 -0.260 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000612979702 355858752 /nfs/dbraw/zinc/85/87/52/355858752.db2.gz IYHUHPFGBZTFOO-RISCZKNCSA-N 2 0 282.388 -0.506 20 0 CBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000612992571 355860000 /nfs/dbraw/zinc/86/00/00/355860000.db2.gz HKRIXHFKAAORPG-YTWAJWBKSA-N 2 0 250.346 -0.355 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)[C@H](C[NH3+])C1 ZINC000612994407 355860384 /nfs/dbraw/zinc/86/03/84/355860384.db2.gz SNHVVSIWCCPPOW-VXGBXAGGSA-N 2 0 281.404 -0.587 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612995703 355860552 /nfs/dbraw/zinc/86/05/52/355860552.db2.gz ZBAZHDDRAPNPPA-NSHDSACASA-N 2 0 270.377 -0.336 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000613662789 355902529 /nfs/dbraw/zinc/90/25/29/355902529.db2.gz GUQXECICJFMBGM-MGPQQGTHSA-N 2 0 280.416 -0.025 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000614068454 355933801 /nfs/dbraw/zinc/93/38/01/355933801.db2.gz NJTBZRNDUHZPSQ-OCCSQVGLSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000614847672 355989239 /nfs/dbraw/zinc/98/92/39/355989239.db2.gz NEGJIBLJBKEUPU-IJLUTSLNSA-N 2 0 257.378 -0.102 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000614505408 355964076 /nfs/dbraw/zinc/96/40/76/355964076.db2.gz NNGXZUPNCPARJG-QWHCGFSZSA-N 2 0 266.389 -0.556 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000614506873 355965285 /nfs/dbraw/zinc/96/52/85/355965285.db2.gz JYAWMFGTFXCUGL-STQMWFEESA-N 2 0 266.389 -0.413 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)[NH+](C)C ZINC000614505822 355965880 /nfs/dbraw/zinc/96/58/80/355965880.db2.gz BCJRNPNTOIHWDD-QWHCGFSZSA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@@H](C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)[NH+](C)C ZINC000614508955 355967039 /nfs/dbraw/zinc/96/70/39/355967039.db2.gz YREUBKXSTHASOX-NWDGAFQWSA-N 2 0 254.378 -0.557 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC(C[NH+](C)C)C2)CC1=O ZINC000615510396 356037426 /nfs/dbraw/zinc/03/74/26/356037426.db2.gz HVOGVQVIMHUQEV-ZDUSSCGKSA-N 2 0 296.415 -0.584 20 0 CBADRP CN(Cc1c[nH]cn1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000616927027 356115681 /nfs/dbraw/zinc/11/56/81/356115681.db2.gz YQENSEKQKMZGME-GFCCVEGCSA-N 2 0 263.345 -0.242 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000617764201 356155560 /nfs/dbraw/zinc/15/55/60/356155560.db2.gz MKRJNBNPLIUVIZ-ZDUSSCGKSA-N 2 0 270.421 -0.062 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000619898073 356229759 /nfs/dbraw/zinc/22/97/59/356229759.db2.gz QFRSMCCAHRWQOY-KGLIPLIRSA-N 2 0 280.416 -0.023 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC[N@@H+]1C ZINC000618299955 356185080 /nfs/dbraw/zinc/18/50/80/356185080.db2.gz HNMXZNUKGUXLJS-CHWSQXEVSA-N 2 0 298.431 -0.195 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000618305863 356185520 /nfs/dbraw/zinc/18/55/20/356185520.db2.gz KEPACDSOEHOUHE-LBPRGKRZSA-N 2 0 284.404 -0.584 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)nn1 ZINC000621682641 356280735 /nfs/dbraw/zinc/28/07/35/356280735.db2.gz JIMZHKQSAMTMJU-MFKMUULPSA-N 2 0 278.360 -0.420 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC000621884728 356293366 /nfs/dbraw/zinc/29/33/66/356293366.db2.gz WTYJWHWPINNCSS-UHFFFAOYSA-N 2 0 295.387 -0.321 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622024812 356300292 /nfs/dbraw/zinc/30/02/92/356300292.db2.gz CSVQLKALGMSIPN-DOMZBBRYSA-N 2 0 296.415 -0.264 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622025279 356300424 /nfs/dbraw/zinc/30/04/24/356300424.db2.gz NUSWKLGVTCTMLC-SMDDNHRTSA-N 2 0 282.388 -0.654 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622024815 356300488 /nfs/dbraw/zinc/30/04/88/356300488.db2.gz CSVQLKALGMSIPN-WFASDCNBSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H](CNc1nc(N)[nH+]c(N)n1)[N@@H+]1CCCC[C@H]1C ZINC000623857263 356379021 /nfs/dbraw/zinc/37/90/21/356379021.db2.gz LKTGRIOELRAFHG-BDAKNGLRSA-N 2 0 265.365 -0.207 20 0 CBADRP C[C@@H]1CCCC[N@@H+]1CCNc1nc(N)[nH+]c(N)n1 ZINC000623861450 356379087 /nfs/dbraw/zinc/37/90/87/356379087.db2.gz XYKOSWXRLJPGCX-MRVPVSSYSA-N 2 0 251.338 -0.595 20 0 CBADRP Nc1nc(N2CCC[C@H]([NH+]3CCCC3)C2)nc(N)[nH+]1 ZINC000623870311 356380372 /nfs/dbraw/zinc/38/03/72/356380372.db2.gz VZTRCIJQBCDIPH-VIFPVBQESA-N 2 0 263.349 -0.239 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1nc(N)[nH+]c(N)n1 ZINC000623885570 356380979 /nfs/dbraw/zinc/38/09/79/356380979.db2.gz BFXXFPWVOXRBQU-BDAKNGLRSA-N 2 0 265.365 -0.349 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000623907945 356381588 /nfs/dbraw/zinc/38/15/88/356381588.db2.gz JNQKDBLPIZVZGL-VIFPVBQESA-N 2 0 265.365 -0.349 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000623901824 356381612 /nfs/dbraw/zinc/38/16/12/356381612.db2.gz SUKOZQPIYULYQT-MRVPVSSYSA-N 2 0 251.338 -0.739 20 0 CBADRP CCC[NH+]1CCC(CNc2nc(N)[nH+]c(N)n2)CC1 ZINC000623912753 356382260 /nfs/dbraw/zinc/38/22/60/356382260.db2.gz SZBUJAQIHMOGOO-UHFFFAOYSA-N 2 0 265.365 -0.347 20 0 CBADRP Nc1nc(NC[C@@H]2CCCC[N@@H+]2C2CC2)nc(N)[nH+]1 ZINC000624160146 356400233 /nfs/dbraw/zinc/40/02/33/356400233.db2.gz DDEUKZDQIYSGGV-VIFPVBQESA-N 2 0 263.349 -0.453 20 0 CBADRP CC(C)[N@@H+]1CCCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623934125 356383191 /nfs/dbraw/zinc/38/31/91/356383191.db2.gz BZAMRGQUYOGOOI-UHFFFAOYSA-N 2 0 251.338 -0.383 20 0 CBADRP COCCC[NH+]1CCC(Nc2nc(N)[nH+]c(N)n2)CC1 ZINC000623931221 356383399 /nfs/dbraw/zinc/38/33/99/356383399.db2.gz OYRVJFOWVIVSDK-UHFFFAOYSA-N 2 0 281.364 -0.969 20 0 CBADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1nc(N)[nH+]c(N)n1 ZINC000623954368 356384433 /nfs/dbraw/zinc/38/44/33/356384433.db2.gz LGBLHRDKTKPDQM-RKDXNWHRSA-N 2 0 265.365 -0.207 20 0 CBADRP Nc1nc(N2CC[NH+](CC3CCOCC3)CC2)nc(N)[nH+]1 ZINC000623982089 356386187 /nfs/dbraw/zinc/38/61/87/356386187.db2.gz CRKPWULQVGLULX-UHFFFAOYSA-N 2 0 293.375 -0.755 20 0 CBADRP Nc1nc(N2CC[C@H](C[NH+]3CCCC3)C2)nc(N)[nH+]1 ZINC000623988000 356386535 /nfs/dbraw/zinc/38/65/35/356386535.db2.gz WTAKBFWNHAEEGW-SECBINFHSA-N 2 0 263.349 -0.381 20 0 CBADRP CC[NH+](CC)CCN(CCOC)c1nc(N)[nH+]c(N)n1 ZINC000624025535 356390247 /nfs/dbraw/zinc/39/02/47/356390247.db2.gz BBNCQULJAKFWGT-UHFFFAOYSA-N 2 0 283.380 -0.509 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1nc(N)[nH+]c(N)n1 ZINC000624024285 356390871 /nfs/dbraw/zinc/39/08/71/356390871.db2.gz CENMGEMHCIFOAI-JGVFFNPUSA-N 2 0 251.338 -0.527 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000624055919 356393330 /nfs/dbraw/zinc/39/33/30/356393330.db2.gz SFIDQJTWELPVEP-SNVBAGLBSA-N 2 0 279.392 -0.101 20 0 CBADRP Nc1nc(NC[C@@H]2CC[N@@H+]2C2CCCC2)nc(N)[nH+]1 ZINC000624639499 356429738 /nfs/dbraw/zinc/42/97/38/356429738.db2.gz FREGHDZISUGKMB-VIFPVBQESA-N 2 0 263.349 -0.453 20 0 CBADRP C[N@H+](CCCCNc1nc(N)[nH+]c(N)n1)C1CC1 ZINC000624267454 356408372 /nfs/dbraw/zinc/40/83/72/356408372.db2.gz NOAOIAAWKGSDPC-UHFFFAOYSA-N 2 0 251.338 -0.595 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNc2nc(N)[nH+]c(N)n2)C1 ZINC000624272901 356409622 /nfs/dbraw/zinc/40/96/22/356409622.db2.gz SICGEKRAJCYJKB-QMMMGPOBSA-N 2 0 251.338 -0.738 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CC[NH2+]C2)cn1 ZINC000625865402 356494709 /nfs/dbraw/zinc/49/47/09/356494709.db2.gz FSEHVYOVCPGODO-SNVBAGLBSA-N 2 0 266.349 -0.072 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)NCC1([NH3+])CCOCC1 ZINC000626950671 356558678 /nfs/dbraw/zinc/55/86/78/356558678.db2.gz YHYBPDCSBYVMGR-NSHDSACASA-N 2 0 270.377 -0.112 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000626950233 356559180 /nfs/dbraw/zinc/55/91/80/356559180.db2.gz NJUDQZNCTMHQJR-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP CCN(CC[NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000626974533 356561976 /nfs/dbraw/zinc/56/19/76/356561976.db2.gz IRLPQWBNXXMQEA-LLVKDONJSA-N 2 0 257.382 -0.778 20 0 CBADRP C[C@H](NC(=O)N(C)CCOCC[NH3+])[C@H]1CN(C)CCO1 ZINC000627003937 356565563 /nfs/dbraw/zinc/56/55/63/356565563.db2.gz WZMDPLXFESSALI-NWDGAFQWSA-N 2 0 288.392 -0.678 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000627045267 356569782 /nfs/dbraw/zinc/56/97/82/356569782.db2.gz WIZAZAIVBUBVBT-NWDGAFQWSA-N 2 0 270.377 -0.242 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC000627044468 356569839 /nfs/dbraw/zinc/56/98/39/356569839.db2.gz LHUJYVFFIWZSCN-UHFFFAOYSA-N 2 0 288.392 -0.675 20 0 CBADRP CCN(CC[NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC000627044983 356569933 /nfs/dbraw/zinc/56/99/33/356569933.db2.gz SEGUOOGQUUGXMB-UHFFFAOYSA-N 2 0 258.366 -0.301 20 0 CBADRP O=C(NCC[C@H]1CC[NH2+]C1)NC[C@H]1COCC[NH2+]1 ZINC000627072768 356573256 /nfs/dbraw/zinc/57/32/56/356573256.db2.gz GQLDEQRVQBQTFK-MNOVXSKESA-N 2 0 256.350 -0.726 20 0 CBADRP C[NH2+]CCOCCNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000627044501 356570025 /nfs/dbraw/zinc/57/00/25/356570025.db2.gz MSTOYDPEKIYVSM-UHFFFAOYSA-N 2 0 288.392 -0.756 20 0 CBADRP C[C@@H](CNC(=O)NC1(C[NH3+])CCOCC1)[NH+](C)C ZINC000627053079 356570733 /nfs/dbraw/zinc/57/07/33/356570733.db2.gz XCBJDAPDSABUPT-JTQLQIEISA-N 2 0 258.366 -0.256 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)NCCCN2CC[NH2+]CC2)C[NH2+]1 ZINC000627064062 356571437 /nfs/dbraw/zinc/57/14/37/356571437.db2.gz QAFJSPOHQOSIDV-OLZOCXBDSA-N 2 0 283.420 -0.279 20 0 CBADRP CN1CCOC[C@H]1CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000627065765 356571474 /nfs/dbraw/zinc/57/14/74/356571474.db2.gz JZTWYPRQGIXVJY-VXGBXAGGSA-N 2 0 270.377 -0.242 20 0 CBADRP [NH3+]C1(CNC(=O)NCCC[NH2+]C2CC2)CCOCC1 ZINC000627062695 356571563 /nfs/dbraw/zinc/57/15/63/356571563.db2.gz AANFODPGQIVXRN-UHFFFAOYSA-N 2 0 270.377 -0.064 20 0 CBADRP O=C(NCCC[NH2+]C1CC1)NCC[N@H+]1CC[C@H](O)C1 ZINC000627063153 356571566 /nfs/dbraw/zinc/57/15/66/356571566.db2.gz GHJUJNKSZUISEP-LBPRGKRZSA-N 2 0 270.377 -0.506 20 0 CBADRP CCN(CC[NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000627064588 356571841 /nfs/dbraw/zinc/57/18/41/356571841.db2.gz UHQNRKBOTJEWQQ-UHFFFAOYSA-N 2 0 257.382 -0.728 20 0 CBADRP [NH3+]CCCOCCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000627068719 356572485 /nfs/dbraw/zinc/57/24/85/356572485.db2.gz KFOFKRACWCOEMF-LLVKDONJSA-N 2 0 258.366 -0.349 20 0 CBADRP [NH3+]C1(CNC(=O)NC[C@H]2COCC[NH2+]2)CCCCC1 ZINC000627068642 356572580 /nfs/dbraw/zinc/57/25/80/356572580.db2.gz MHSSXDXZJBWFGX-NSHDSACASA-N 2 0 270.377 -0.064 20 0 CBADRP C[NH2+]CCOCCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000627067424 356572598 /nfs/dbraw/zinc/57/25/98/356572598.db2.gz BNKODLQSEFXJEQ-NSHDSACASA-N 2 0 258.366 -0.479 20 0 CBADRP [NH3+]CCCOCCNC(=O)NCC1CC[NH2+]CC1 ZINC000627068833 356572676 /nfs/dbraw/zinc/57/26/76/356572676.db2.gz OJXHSBXAYTYAGC-UHFFFAOYSA-N 2 0 258.366 -0.349 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N(C)CCOCC[NH3+])C1 ZINC000626982659 356563599 /nfs/dbraw/zinc/56/35/99/356563599.db2.gz OMIOBQPEAUEEFJ-GFCCVEGCSA-N 2 0 288.392 -0.676 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000626982656 356563625 /nfs/dbraw/zinc/56/36/25/356563625.db2.gz OCAGWRPTLBIXJZ-SDDRHHMPSA-N 2 0 270.377 -0.243 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627147626 356588376 /nfs/dbraw/zinc/58/83/76/356588376.db2.gz KXPIQLXLHNAOFP-LLVKDONJSA-N 2 0 270.377 -0.112 20 0 CBADRP CC1(C)CN(C(=O)NCC2([NH3+])CCOCC2)CC[NH2+]1 ZINC000627147312 356588544 /nfs/dbraw/zinc/58/85/44/356588544.db2.gz GEVBMQZPGQAUSH-UHFFFAOYSA-N 2 0 270.377 -0.112 20 0 CBADRP [NH3+]C1(CNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CCOCC1 ZINC000627147462 356588662 /nfs/dbraw/zinc/58/86/62/356588662.db2.gz ICAYULWCSAYUAC-NEPJUHHUSA-N 2 0 282.388 -0.112 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)NCC1([NH3+])CCOCC1 ZINC000627147743 356589048 /nfs/dbraw/zinc/58/90/48/356589048.db2.gz MFRUBVRTZKDPLK-SNVBAGLBSA-N 2 0 256.350 -0.373 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000627159387 356591164 /nfs/dbraw/zinc/59/11/64/356591164.db2.gz PTDZRMJHNQRVBW-MELADBBJSA-N 2 0 295.431 -0.184 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000627165557 356591553 /nfs/dbraw/zinc/59/15/53/356591553.db2.gz ZAHRRVNTSURGHX-LOWVWBTDSA-N 2 0 272.393 -0.261 20 0 CBADRP C[NH2+]CCOCCNC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000627171074 356592290 /nfs/dbraw/zinc/59/22/90/356592290.db2.gz PVXYDKJMFCAYRZ-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627169416 356592551 /nfs/dbraw/zinc/59/25/51/356592551.db2.gz INNLHDOMKVVWST-GHMZBOCLSA-N 2 0 258.366 -0.338 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@H]1COCC[NH2+]1 ZINC000627072769 356573618 /nfs/dbraw/zinc/57/36/18/356573618.db2.gz GQLDEQRVQBQTFK-QWRGUYRKSA-N 2 0 256.350 -0.726 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627070703 356573920 /nfs/dbraw/zinc/57/39/20/356573920.db2.gz FLIWBJBPCLOLHQ-GFCCVEGCSA-N 2 0 272.393 -0.260 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@H]1CCC[NH2+]1 ZINC000627073738 356574472 /nfs/dbraw/zinc/57/44/72/356574472.db2.gz KNTUPWUZWYRIFK-MNOVXSKESA-N 2 0 256.350 -0.896 20 0 CBADRP [NH3+]CC1(NC(=O)NC[C@@H]2CCC[NH2+]2)CCOCC1 ZINC000627075162 356574769 /nfs/dbraw/zinc/57/47/69/356574769.db2.gz UHRAFBFAZRDHTN-JTQLQIEISA-N 2 0 256.350 -0.455 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)NCC1([NH3+])CCOCC1 ZINC000627077158 356575143 /nfs/dbraw/zinc/57/51/43/356575143.db2.gz UVETXAHKPSFGPA-SNVBAGLBSA-N 2 0 258.366 -0.223 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000627076904 356575723 /nfs/dbraw/zinc/57/57/23/356575723.db2.gz MKSQTSDILVIPDR-UHFFFAOYSA-N 2 0 258.366 -0.127 20 0 CBADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627079905 356576002 /nfs/dbraw/zinc/57/60/02/356576002.db2.gz XXWMQRMDIMYZPC-FRRDWIJNSA-N 2 0 284.404 -0.130 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627079912 356576042 /nfs/dbraw/zinc/57/60/42/356576042.db2.gz XXWMQRMDIMYZPC-RWMBFGLXSA-N 2 0 284.404 -0.130 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627079925 356576080 /nfs/dbraw/zinc/57/60/80/356576080.db2.gz XXWMQRMDIMYZPC-YNEHKIRRSA-N 2 0 284.404 -0.130 20 0 CBADRP [NH3+][C@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)C1CC1 ZINC000627082571 356577304 /nfs/dbraw/zinc/57/73/04/356577304.db2.gz HJRIWKQEDKWRBA-WDEREUQCSA-N 2 0 256.350 -0.911 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627081827 356577426 /nfs/dbraw/zinc/57/74/26/356577426.db2.gz ZEVJENCDOAQGPG-VXGBXAGGSA-N 2 0 272.393 -0.274 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627081819 356577457 /nfs/dbraw/zinc/57/74/57/356577457.db2.gz ZEVJENCDOAQGPG-NEPJUHHUSA-N 2 0 272.393 -0.274 20 0 CBADRP [NH3+]CC1(NC(=O)NCC2([NH3+])CCC2)CCOCC1 ZINC000627083424 356578538 /nfs/dbraw/zinc/57/85/38/356578538.db2.gz HKSAPMDXLHCPIA-UHFFFAOYSA-N 2 0 256.350 -0.325 20 0 CBADRP [NH3+]CCCOCCNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000627086207 356578796 /nfs/dbraw/zinc/57/87/96/356578796.db2.gz KCLOIOFCDWZNEZ-NSHDSACASA-N 2 0 258.366 -0.207 20 0 CBADRP [NH3+]C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)C1CCCC1 ZINC000627089282 356580634 /nfs/dbraw/zinc/58/06/34/356580634.db2.gz LWOKZYLJQCVING-RYUDHWBXSA-N 2 0 270.377 -0.209 20 0 CBADRP [NH3+]C[C@@H](NC(=O)NC[C@@H]1COCC[NH2+]1)C1CCCC1 ZINC000627089283 356580980 /nfs/dbraw/zinc/58/09/80/356580980.db2.gz LWOKZYLJQCVING-VXGBXAGGSA-N 2 0 270.377 -0.209 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627090734 356581549 /nfs/dbraw/zinc/58/15/49/356581549.db2.gz YNHGWCXNBGDKGN-WOPDTQHZSA-N 2 0 270.377 -0.650 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000627090618 356581554 /nfs/dbraw/zinc/58/15/54/356581554.db2.gz XBOWQWSYOVYNAF-SNVBAGLBSA-N 2 0 258.366 -0.209 20 0 CBADRP [NH3+]C[C@@H](NC(=O)NCC[N@@H+]1CC[C@@H](O)C1)C1CCCC1 ZINC000627090785 356581669 /nfs/dbraw/zinc/58/16/69/356581669.db2.gz ZNJSWTNDFLVYEN-CHWSQXEVSA-N 2 0 284.404 -0.130 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000627093512 356582217 /nfs/dbraw/zinc/58/22/17/356582217.db2.gz LYRSMUNIAPVQFG-ROKHWSDSSA-N 2 0 295.431 -0.136 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000627101481 356582762 /nfs/dbraw/zinc/58/27/62/356582762.db2.gz CGEWNCPWZMKGSU-NWDGAFQWSA-N 2 0 272.393 -0.009 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@H]1C[NH2+]CCO1)C2 ZINC000627103517 356583417 /nfs/dbraw/zinc/58/34/17/356583417.db2.gz LCLAVLMGAVUJMF-BNOWGMLFSA-N 2 0 282.388 -0.384 20 0 CBADRP [NH3+]CCCOCCNC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000627102192 356583503 /nfs/dbraw/zinc/58/35/03/356583503.db2.gz IXXSBBGZSAPLKF-QWRGUYRKSA-N 2 0 258.366 -0.222 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000627103784 356583546 /nfs/dbraw/zinc/58/35/46/356583546.db2.gz WBNXCDJAGJNOGC-HBNTYKKESA-N 2 0 256.350 -0.586 20 0 CBADRP [NH3+]C1(CNC(=O)NC[C@H]2COCC[NH2+]2)CCCC1 ZINC000627113976 356585880 /nfs/dbraw/zinc/58/58/80/356585880.db2.gz RXBVGXXCCAZVLQ-JTQLQIEISA-N 2 0 256.350 -0.455 20 0 CBADRP C[NH2+]CCOCCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000627115913 356585951 /nfs/dbraw/zinc/58/59/51/356585951.db2.gz GDGXJIDOSVLXAS-UHFFFAOYSA-N 2 0 256.350 -0.726 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NCC12CC(C1)C[NH2+]2 ZINC000627117179 356586293 /nfs/dbraw/zinc/58/62/93/356586293.db2.gz UEZAEIQZYYMUJM-AKJDGMEZSA-N 2 0 268.361 -0.896 20 0 CBADRP [NH3+]CCCOCCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000627119054 356586733 /nfs/dbraw/zinc/58/67/33/356586733.db2.gz IXYGVZBCZSNHDS-LLVKDONJSA-N 2 0 270.377 -0.207 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627126049 356586902 /nfs/dbraw/zinc/58/69/02/356586902.db2.gz ALCVFMIMBWBZDP-NSHDSACASA-N 2 0 270.377 -0.194 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000627119231 356586909 /nfs/dbraw/zinc/58/69/09/356586909.db2.gz KMHBBBGEFGRJIE-LLVKDONJSA-N 2 0 270.377 -0.255 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000627119232 356586957 /nfs/dbraw/zinc/58/69/57/356586957.db2.gz KMHBBBGEFGRJIE-NSHDSACASA-N 2 0 270.377 -0.255 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@H]1CC12CC[NH2+]CC2 ZINC000627119690 356587201 /nfs/dbraw/zinc/58/72/01/356587201.db2.gz SXVOTCGBUXIRJT-NEPJUHHUSA-N 2 0 282.388 -0.506 20 0 CBADRP [NH3+]CCCOCCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000627219255 356608009 /nfs/dbraw/zinc/60/80/09/356608009.db2.gz TXHARMRWVGEIGI-LBPRGKRZSA-N 2 0 270.377 -0.112 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627218866 356608408 /nfs/dbraw/zinc/60/84/08/356608408.db2.gz JTQSFJUTTAJEII-LLVKDONJSA-N 2 0 258.366 -0.255 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CCC(C[NH3+])CC1 ZINC000627218834 356608455 /nfs/dbraw/zinc/60/84/55/356608455.db2.gz IYVMIOFYNFLCQE-UHFFFAOYSA-N 2 0 258.366 -0.268 20 0 CBADRP C[C@H]1[NH2+]CCN(C(=O)NCCOCCC[NH3+])[C@@H]1C ZINC000627219649 356608637 /nfs/dbraw/zinc/60/86/37/356608637.db2.gz ZVRKPVFRQIBQAS-GHMZBOCLSA-N 2 0 258.366 -0.256 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627242077 356610234 /nfs/dbraw/zinc/61/02/34/356610234.db2.gz NFFWKHMNAKCEOU-WDEREUQCSA-N 2 0 258.366 -0.650 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000627243111 356610775 /nfs/dbraw/zinc/61/07/75/356610775.db2.gz BENKHGMKZYQRAR-NWDGAFQWSA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)[C@H](C)C1 ZINC000627243862 356611116 /nfs/dbraw/zinc/61/11/16/356611116.db2.gz XNXAZPOWXWPLRY-FVCCEPFGSA-N 2 0 284.404 -0.167 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627248572 356611836 /nfs/dbraw/zinc/61/18/36/356611836.db2.gz PWJTYKYTJYMLHL-LLVKDONJSA-N 2 0 258.366 -0.432 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627252118 356613823 /nfs/dbraw/zinc/61/38/23/356613823.db2.gz LKICURDJCQDPFL-VXGBXAGGSA-N 2 0 297.403 -0.623 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627252533 356613837 /nfs/dbraw/zinc/61/38/37/356613837.db2.gz XXVSCMBHIMCNFI-GFCCVEGCSA-N 2 0 270.377 -0.242 20 0 CBADRP C[C@@H](C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)[NH+](C)C ZINC000627258750 356616477 /nfs/dbraw/zinc/61/64/77/356616477.db2.gz GPFUKRFWVZOCBB-SRVKXCTJSA-N 2 0 255.362 -0.396 20 0 CBADRP CCCN(C(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000627190297 356600764 /nfs/dbraw/zinc/60/07/64/356600764.db2.gz DZCDLTAYNYKNGR-NWDGAFQWSA-N 2 0 270.377 -0.242 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000627190407 356600947 /nfs/dbraw/zinc/60/09/47/356600947.db2.gz JPNUEQOGFJTNNG-TUAOUCFPSA-N 2 0 268.361 -0.632 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000627190406 356601571 /nfs/dbraw/zinc/60/15/71/356601571.db2.gz JPNUEQOGFJTNNG-QJPTWQEYSA-N 2 0 268.361 -0.632 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N1CCN([C@@H]2CCOC2)CC1 ZINC000627191545 356602004 /nfs/dbraw/zinc/60/20/04/356602004.db2.gz SHOHIBGABWASIA-QWHCGFSZSA-N 2 0 298.387 -0.909 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627191342 356602197 /nfs/dbraw/zinc/60/21/97/356602197.db2.gz PEZKUWACWGSERZ-SQLBVSGCSA-N 2 0 254.334 -0.893 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)NC[C@H]2COCC[NH2+]2)C[NH2+]1 ZINC000627191843 356603423 /nfs/dbraw/zinc/60/34/23/356603423.db2.gz IJJXVXDYUIBBNU-VWYCJHECSA-N 2 0 256.350 -0.586 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627204244 356604545 /nfs/dbraw/zinc/60/45/45/356604545.db2.gz CFJNOVKVVVXLFM-NWDGAFQWSA-N 2 0 272.393 -0.260 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C[NH2+]1 ZINC000627208022 356604927 /nfs/dbraw/zinc/60/49/27/356604927.db2.gz VOSVOXPMYLJOAW-UTUOFQBUSA-N 2 0 269.393 -0.589 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[NH2+]1 ZINC000627210596 356605940 /nfs/dbraw/zinc/60/59/40/356605940.db2.gz SADJMHQBNSLWAR-MCIONIFRSA-N 2 0 295.431 -0.184 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[NH2+]1 ZINC000627210031 356606190 /nfs/dbraw/zinc/60/61/90/356606190.db2.gz KOTQEGKHFIHQBL-YFKTTZPYSA-N 2 0 252.362 -0.012 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000627349563 356630724 /nfs/dbraw/zinc/63/07/24/356630724.db2.gz RNMUARUDDYYJMU-AXFHLTTASA-N 2 0 280.372 -0.794 20 0 CBADRP Cc1nccn1CCCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627355637 356631459 /nfs/dbraw/zinc/63/14/59/356631459.db2.gz LYQNXIBSKKWOQV-GFCCVEGCSA-N 2 0 293.371 -0.434 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C1CC1 ZINC000627365640 356633613 /nfs/dbraw/zinc/63/36/13/356633613.db2.gz VGZUDPOQIMGNIS-SNVBAGLBSA-N 2 0 268.361 -0.935 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000627377063 356634941 /nfs/dbraw/zinc/63/49/41/356634941.db2.gz XFYARMKPGNXYHN-NSHDSACASA-N 2 0 282.388 -0.440 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000627259136 356616597 /nfs/dbraw/zinc/61/65/97/356616597.db2.gz NNMPTVDLKCZYEE-JHJVBQTASA-N 2 0 267.373 -0.252 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)C[NH2+]1 ZINC000627291588 356620997 /nfs/dbraw/zinc/62/09/97/356620997.db2.gz YCGXDJQTTCFBHU-ZYHUDNBSSA-N 2 0 282.388 -0.547 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000627291519 356621181 /nfs/dbraw/zinc/62/11/81/356621181.db2.gz WTCCVGSKOJPVLN-UHFFFAOYSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627302144 356622606 /nfs/dbraw/zinc/62/26/06/356622606.db2.gz AHEKSPXWEZFBCH-WCQYABFASA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(CC)CC[NH3+] ZINC000627320729 356625679 /nfs/dbraw/zinc/62/56/79/356625679.db2.gz NAIZXAZCJDQNHP-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000627319582 356625809 /nfs/dbraw/zinc/62/58/09/356625809.db2.gz YNKSFXCBDXLIFF-LBPRGKRZSA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[NH2+]1 ZINC000627325456 356626448 /nfs/dbraw/zinc/62/64/48/356626448.db2.gz KPLYJAQLZBWJRB-WOPDTQHZSA-N 2 0 294.399 -0.404 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000627325726 356626552 /nfs/dbraw/zinc/62/65/52/356626552.db2.gz SEKWWJCPCCRUOD-STQMWFEESA-N 2 0 298.431 -0.101 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000627332327 356627391 /nfs/dbraw/zinc/62/73/91/356627391.db2.gz XAKSURJMGARFNY-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000627425136 356644643 /nfs/dbraw/zinc/64/46/43/356644643.db2.gz GDOBIWJXCARMPX-NNYUYHANSA-N 2 0 282.388 -0.691 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627429019 356645843 /nfs/dbraw/zinc/64/58/43/356645843.db2.gz VCSSHZDDGUWGMN-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000627388753 356636889 /nfs/dbraw/zinc/63/68/89/356636889.db2.gz GGQPPEWYKKILCV-CYBMUJFWSA-N 2 0 296.415 -0.073 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000627398871 356639316 /nfs/dbraw/zinc/63/93/16/356639316.db2.gz YRVBNFHBNCKCKP-GRYCIOLGSA-N 2 0 280.372 -0.793 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000627398741 356639321 /nfs/dbraw/zinc/63/93/21/356639321.db2.gz VRTGAXASWKQSTG-LBPRGKRZSA-N 2 0 284.404 -0.358 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627505758 356661110 /nfs/dbraw/zinc/66/11/10/356661110.db2.gz FAGXPKQZIOXZJA-QWHCGFSZSA-N 2 0 296.415 -0.441 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000627506830 356661631 /nfs/dbraw/zinc/66/16/31/356661631.db2.gz LFILEQYNFVCRDR-XQQFMLRXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)C[NH2+]1 ZINC000627477064 356653159 /nfs/dbraw/zinc/65/31/59/356653159.db2.gz QOBQURFBEUCBMM-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627478478 356654076 /nfs/dbraw/zinc/65/40/76/356654076.db2.gz NKKLEVUOPMKCTN-RWMBFGLXSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)CC[NH+]2CCCC2)C[NH2+]1 ZINC000627484362 356655286 /nfs/dbraw/zinc/65/52/86/356655286.db2.gz WWSBLUBTRFYHRE-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000627498610 356657201 /nfs/dbraw/zinc/65/72/01/356657201.db2.gz FAAQXDHEOLQVTH-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627498111 356657698 /nfs/dbraw/zinc/65/76/98/356657698.db2.gz IXURXYTUFGCIFR-YNEHKIRRSA-N 2 0 296.415 -0.206 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000627500031 356658309 /nfs/dbraw/zinc/65/83/09/356658309.db2.gz KQRKDVDCENTZCP-WCFLWFBJSA-N 2 0 294.399 -0.452 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000627502319 356659030 /nfs/dbraw/zinc/65/90/30/356659030.db2.gz RXDLVGDSVNYBSD-MROQNXINSA-N 2 0 296.415 -0.206 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000627503761 356659806 /nfs/dbraw/zinc/65/98/06/356659806.db2.gz ZXSFIEFETZZSFD-SDDRHHMPSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627505053 356660134 /nfs/dbraw/zinc/66/01/34/356660134.db2.gz UBLNXDRFEPPEFZ-WCQYABFASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+](C)C ZINC000628584660 356714308 /nfs/dbraw/zinc/71/43/08/356714308.db2.gz WMZRRBMWQRRNSH-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP CCS(=O)(=O)C[C@H](C)[NH2+]CCOCC[NH2+]C ZINC000629529999 356776715 /nfs/dbraw/zinc/77/67/15/356776715.db2.gz SMFDCKVQSKACLF-JTQLQIEISA-N 2 0 252.380 -0.365 20 0 CBADRP O=C(N1CC[NH2+]CC1)N1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000629546609 356778557 /nfs/dbraw/zinc/77/85/57/356778557.db2.gz USBUTILPWJDHBH-ZDUSSCGKSA-N 2 0 281.404 -0.761 20 0 CBADRP O=C1NCCC[C@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629559169 356779459 /nfs/dbraw/zinc/77/94/59/356779459.db2.gz CWLXMWJKAKPSOB-RYUDHWBXSA-N 2 0 255.362 -0.441 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@H]1CCC[NH+]1C1CC1 ZINC000629170726 356751107 /nfs/dbraw/zinc/75/11/07/356751107.db2.gz XPCAMGQHDSMFMO-CHWSQXEVSA-N 2 0 267.373 -0.204 20 0 CBADRP CCS(=O)(=O)C[C@@H](C)[NH2+]CCOCC[NH2+]C ZINC000629530000 356776423 /nfs/dbraw/zinc/77/64/23/356776423.db2.gz SMFDCKVQSKACLF-SNVBAGLBSA-N 2 0 252.380 -0.365 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000629795521 356794527 /nfs/dbraw/zinc/79/45/27/356794527.db2.gz YMNIVTMTWZJRPK-UHFFFAOYSA-N 2 0 270.377 -0.652 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000629810930 356798487 /nfs/dbraw/zinc/79/84/87/356798487.db2.gz FGZSEGLTNJQDTD-ZDUSSCGKSA-N 2 0 298.431 -0.147 20 0 CBADRP CC(C)[C@H](C(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+](C)C ZINC000629913899 356805634 /nfs/dbraw/zinc/80/56/34/356805634.db2.gz PLNVMMMDVUDZLY-NWDGAFQWSA-N 2 0 257.378 -0.245 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000629913376 356805827 /nfs/dbraw/zinc/80/58/27/356805827.db2.gz JIGWNAFJOSITFA-RYUDHWBXSA-N 2 0 255.362 -0.347 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC000630093428 356828162 /nfs/dbraw/zinc/82/81/62/356828162.db2.gz NTFKLYXLFYFJGH-SDDRHHMPSA-N 2 0 255.362 -0.179 20 0 CBADRP CN(C)S(=O)(=O)CCC[N@H+](C)CCOCC[NH3+] ZINC000629577884 356781505 /nfs/dbraw/zinc/78/15/05/356781505.db2.gz DTUKZXZFGGVTTO-UHFFFAOYSA-N 2 0 267.395 -0.825 20 0 CBADRP C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)CCOCC[NH3+] ZINC000629575491 356781569 /nfs/dbraw/zinc/78/15/69/356781569.db2.gz OAFLTQSRGKGYAW-RYUDHWBXSA-N 2 0 273.377 -0.423 20 0 CBADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629581998 356782417 /nfs/dbraw/zinc/78/24/17/356782417.db2.gz LOJNJTOHKBTWJA-PHIMTYICSA-N 2 0 268.361 -0.996 20 0 CBADRP NC(=O)CC1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629579257 356782646 /nfs/dbraw/zinc/78/26/46/356782646.db2.gz CWYICPZHEMHSAF-LLVKDONJSA-N 2 0 255.362 -0.312 20 0 CBADRP C[N@H+](CCCN1C(=O)NC(C)(C)C1=O)CCOCC[NH3+] ZINC000629578883 356782991 /nfs/dbraw/zinc/78/29/91/356782991.db2.gz MWPOVWZVBJBSDH-UHFFFAOYSA-N 2 0 286.376 -0.386 20 0 CBADRP CC[N@H+](CCO)CCNC[C@@H](O)C[NH+]1CCCC1 ZINC000629583442 356783635 /nfs/dbraw/zinc/78/36/35/356783635.db2.gz DJDJPOWDSBATOK-CYBMUJFWSA-N 2 0 259.394 -0.653 20 0 CBADRP O[C@H](C[NH2+]C[C@@H](O)[C@H]1CCCO1)C[NH+]1CCCC1 ZINC000629590340 356783877 /nfs/dbraw/zinc/78/38/77/356783877.db2.gz VGBLKUOCFVVYKC-JHJVBQTASA-N 2 0 258.362 -0.427 20 0 CBADRP O[C@H](CNC[C@@H](O)C[NH+]1CCCC1)C[NH+]1CCCC1 ZINC000629582632 356784026 /nfs/dbraw/zinc/78/40/26/356784026.db2.gz GMNFYSZBLZANAD-ZIAGYGMSSA-N 2 0 271.405 -0.511 20 0 CBADRP CC(=O)NC[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000629595259 356784824 /nfs/dbraw/zinc/78/48/24/356784824.db2.gz LSYMGTNATLSLJL-AWEZNQCLSA-N 2 0 296.415 -0.201 20 0 CBADRP CC(=O)NC[C@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000629595575 356785166 /nfs/dbraw/zinc/78/51/66/356785166.db2.gz UDGSNDUSLCMKME-CQSZACIVSA-N 2 0 268.405 -0.118 20 0 CBADRP OC[C@@H](C[NH+]1CCCC1)NC[C@H](O)C[NH+]1CCCC1 ZINC000629596049 356785173 /nfs/dbraw/zinc/78/51/73/356785173.db2.gz QTTNURBNPXSDSH-KGLIPLIRSA-N 2 0 271.405 -0.511 20 0 CBADRP CO[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)[C@@](C)(C[NH3+])C1 ZINC000630358399 356837042 /nfs/dbraw/zinc/83/70/42/356837042.db2.gz AOLDPTANYJDVHP-SGMGOOAPSA-N 2 0 285.388 -0.280 20 0 CBADRP c1c(CCN2CC[NH2+]CC2)nnn1[C@@H]1CCC[NH2+]C1 ZINC000630596493 356853342 /nfs/dbraw/zinc/85/33/42/356853342.db2.gz OTZQWTCRPLKTNC-CYBMUJFWSA-N 2 0 264.377 -0.350 20 0 CBADRP CN(CCC[NH+](C)C)CCn1cc(CC[NH3+])nn1 ZINC000630612616 356855239 /nfs/dbraw/zinc/85/52/39/356855239.db2.gz XCQTWTBABCOVQT-UHFFFAOYSA-N 2 0 254.382 -0.337 20 0 CBADRP c1c(C[C@@H]2CCC[NH2+]C2)nnn1C[C@@H]1C[NH2+]CCO1 ZINC000630616297 356855278 /nfs/dbraw/zinc/85/52/78/356855278.db2.gz IDKWQYMSMOSRGX-AAEUAGOBSA-N 2 0 265.361 -0.191 20 0 CBADRP CC(C)C[N@H+](CCN(C)C)CCn1cc([C@H]([NH3+])CO)nn1 ZINC000630610860 356855342 /nfs/dbraw/zinc/85/53/42/356855342.db2.gz RXHFHZLBZVPJNM-CYBMUJFWSA-N 2 0 298.435 -0.210 20 0 CBADRP C[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1C[NH3+] ZINC000631842288 356910806 /nfs/dbraw/zinc/91/08/06/356910806.db2.gz YBKHLVUHLMEQSL-NXEZZACHSA-N 2 0 266.345 -0.889 20 0 CBADRP O=C(CCN1CCC[C@H]2C[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC000631890988 356916193 /nfs/dbraw/zinc/91/61/93/356916193.db2.gz WTBALMHBDJMKMP-KBPBESRZSA-N 2 0 280.416 -0.118 20 0 CBADRP C(CN1CCC[C@H]2C[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC000631891030 356916389 /nfs/dbraw/zinc/91/63/89/356916389.db2.gz XKZQHBNOWIIGMQ-UONOGXRCSA-N 2 0 252.406 -0.035 20 0 CBADRP C[NH2+]C[C@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631901122 356917710 /nfs/dbraw/zinc/91/77/10/356917710.db2.gz RPCCQVURBQDKAG-NEPJUHHUSA-N 2 0 291.417 -0.764 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1CCC[NH2+]C1 ZINC000631901167 356917716 /nfs/dbraw/zinc/91/77/16/356917716.db2.gz STWKMMQNXTZBCT-SNVBAGLBSA-N 2 0 276.406 -0.743 20 0 CBADRP C[C@H]([NH3+])C1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631903948 356919353 /nfs/dbraw/zinc/91/93/53/356919353.db2.gz ZNZOSQCUMFTRGF-CMPLNLGQSA-N 2 0 291.417 -0.636 20 0 CBADRP [NH3+][C@@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000631903723 356919745 /nfs/dbraw/zinc/91/97/45/356919745.db2.gz SFZWDVQZZYTFBX-OLZOCXBDSA-N 2 0 299.396 -0.406 20 0 CBADRP C[C@H]1CN(S(=O)(=O)CCC[NH+](C)C)CC[C@@H]1[NH3+] ZINC000631905536 356920446 /nfs/dbraw/zinc/92/04/46/356920446.db2.gz PGZCDGZQTMWFAG-QWRGUYRKSA-N 2 0 263.407 -0.063 20 0 CBADRP C[C@H]1CN(S(=O)(=O)CCC[NH+](C)C)CC[C@H]1[NH3+] ZINC000631905537 356920627 /nfs/dbraw/zinc/92/06/27/356920627.db2.gz PGZCDGZQTMWFAG-WDEREUQCSA-N 2 0 263.407 -0.063 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1S(=O)(=O)CCC[NH+](C)C ZINC000631907064 356921139 /nfs/dbraw/zinc/92/11/39/356921139.db2.gz CFQYDWOQDJAUGH-NSHDSACASA-N 2 0 263.407 -0.048 20 0 CBADRP CCCC[C@H](C[NH3+])NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631907142 356921180 /nfs/dbraw/zinc/92/11/80/356921180.db2.gz DVKVNUCTIJKLJJ-GHMZBOCLSA-N 2 0 279.406 -0.588 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)CCC[NH+](C)C)CCO1 ZINC000631907912 356921413 /nfs/dbraw/zinc/92/14/13/356921413.db2.gz XDELOEHEZHHEQO-GHMZBOCLSA-N 2 0 279.406 -0.684 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000631908647 356922105 /nfs/dbraw/zinc/92/21/05/356922105.db2.gz WBEXOLNQAVFUIZ-NEPJUHHUSA-N 2 0 289.401 -0.869 20 0 CBADRP C[C@H](CC[NH3+])NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631931598 356924740 /nfs/dbraw/zinc/92/47/40/356924740.db2.gz LQWJACXRBKEFEB-GFCCVEGCSA-N 2 0 292.449 -0.719 20 0 CBADRP C[C@H]1CN(S(=O)(=O)CCC[NH+](C)C)[C@@H](C)C[NH2+]1 ZINC000631930157 356924852 /nfs/dbraw/zinc/92/48/52/356924852.db2.gz YLIREWKXFZTPFW-QWRGUYRKSA-N 2 0 263.407 -0.050 20 0 CBADRP C[C@H]1C[C@H](NS(=O)(=O)CCC[NH+](C)C)CC[NH2+]1 ZINC000631932319 356926075 /nfs/dbraw/zinc/92/60/75/356926075.db2.gz NIIXYUPKHFBCMZ-WDEREUQCSA-N 2 0 263.407 -0.002 20 0 CBADRP [NH3+][C@H]1C[C@@H](NS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000631932043 356926159 /nfs/dbraw/zinc/92/61/59/356926159.db2.gz KYKFKSPIIUWQCF-PHIMTYICSA-N 2 0 261.391 -0.119 20 0 CBADRP CCC[NH2+]CCNS(=O)(=O)CCC[NH+](C)C ZINC000631933426 356926280 /nfs/dbraw/zinc/92/62/80/356926280.db2.gz LGGWLTDDDNPWCS-UHFFFAOYSA-N 2 0 251.396 -0.143 20 0 CBADRP C[C@@H]1[NH2+]CCN(S(=O)(=O)CCC[NH+](C)C)[C@H]1C ZINC000631935165 356927358 /nfs/dbraw/zinc/92/73/58/356927358.db2.gz DTSWHJHDRXLBOI-QWRGUYRKSA-N 2 0 263.407 -0.050 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)CCC[NH+](C)C ZINC000631936107 356927966 /nfs/dbraw/zinc/92/79/66/356927966.db2.gz TWAKHPOOIMCETE-QWRGUYRKSA-N 2 0 263.407 -0.002 20 0 CBADRP [NH3+]CC[C@H]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631936207 356928208 /nfs/dbraw/zinc/92/82/08/356928208.db2.gz WXHZHVAMXKHKEW-VXGBXAGGSA-N 2 0 291.417 -0.635 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631935734 356928425 /nfs/dbraw/zinc/92/84/25/356928425.db2.gz ZEKZSMLYYZAVLE-CMPLNLGQSA-N 2 0 290.433 -0.497 20 0 CBADRP CC1(NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[NH2+]CC1 ZINC000631941759 356929768 /nfs/dbraw/zinc/92/97/68/356929768.db2.gz GJQCJXKNTMGENC-JTQLQIEISA-N 2 0 277.390 -0.964 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000631942174 356930948 /nfs/dbraw/zinc/93/09/48/356930948.db2.gz QWKHULUFFQCRIL-WDEREUQCSA-N 2 0 263.407 -0.015 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000631942172 356930978 /nfs/dbraw/zinc/93/09/78/356930978.db2.gz QWKHULUFFQCRIL-MNOVXSKESA-N 2 0 263.407 -0.015 20 0 CBADRP [NH3+]CCC1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631948974 356931395 /nfs/dbraw/zinc/93/13/95/356931395.db2.gz VMKJTHAAKCQWGN-LBPRGKRZSA-N 2 0 291.417 -0.635 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCC1([NH3+])CCCC1 ZINC000631950933 356932053 /nfs/dbraw/zinc/93/20/53/356932053.db2.gz UIMXBQFISWKVCL-UHFFFAOYSA-N 2 0 290.433 -0.224 20 0 CBADRP CC(C)[C@H]([NH3+])CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631952745 356932974 /nfs/dbraw/zinc/93/29/74/356932974.db2.gz RXICHPHENJATPA-WDEREUQCSA-N 2 0 279.406 -0.732 20 0 CBADRP [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)C[C@H]1C[NH2+]CCO1)C2 ZINC000631953831 356933647 /nfs/dbraw/zinc/93/36/47/356933647.db2.gz TXWNKRHDSRLEPH-TUAOUCFPSA-N 2 0 289.401 -0.882 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631954814 356933695 /nfs/dbraw/zinc/93/36/95/356933695.db2.gz XQCBDYPYLZZPON-GARJFASQSA-N 2 0 277.390 -0.965 20 0 CBADRP C[NH2+]CCOCCNS(=O)(=O)CCC[NH+](C)C ZINC000631954534 356934014 /nfs/dbraw/zinc/93/40/14/356934014.db2.gz POEBXCYJHJCEOC-UHFFFAOYSA-N 2 0 267.395 -0.907 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631971214 356937355 /nfs/dbraw/zinc/93/73/55/356937355.db2.gz MXFDIIVRFWTUGL-PHIMTYICSA-N 2 0 261.391 -0.296 20 0 CBADRP [NH3+]CC1(NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CCCCC1 ZINC000631978615 356937808 /nfs/dbraw/zinc/93/78/08/356937808.db2.gz FHBGZQDOHULYBO-NSHDSACASA-N 2 0 291.417 -0.444 20 0 CBADRP CNS(=O)(=O)CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000631708725 356902495 /nfs/dbraw/zinc/90/24/95/356902495.db2.gz GMYYBJLLRLKRGI-QWRGUYRKSA-N 2 0 263.407 -0.002 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000632360178 356977341 /nfs/dbraw/zinc/97/73/41/356977341.db2.gz RYCUXWMWHPWUEI-NWDGAFQWSA-N 2 0 275.418 -0.096 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NCC1([NH+](C)C)CC1 ZINC000632489053 356995323 /nfs/dbraw/zinc/99/53/23/356995323.db2.gz YQRHCIQVBISGKD-UHFFFAOYSA-N 2 0 263.407 -0.048 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NCC1(O)CC[NH+](C)CC1 ZINC000632020254 356945251 /nfs/dbraw/zinc/94/52/51/356945251.db2.gz YLDRUVGGGSRCMO-UHFFFAOYSA-N 2 0 293.433 -0.686 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)cn1 ZINC000632072134 356949331 /nfs/dbraw/zinc/94/93/31/356949331.db2.gz WNAZSGPLHAIQGL-CQSZACIVSA-N 2 0 297.403 -0.513 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C[C@H]1C[NH3+] ZINC000633087469 357042200 /nfs/dbraw/zinc/04/22/00/357042200.db2.gz KZFBLAFHFZZVJC-UPJWGTAASA-N 2 0 296.415 -0.408 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C[C@H]1C[NH3+] ZINC000633087468 357042544 /nfs/dbraw/zinc/04/25/44/357042544.db2.gz KZFBLAFHFZZVJC-JHJVBQTASA-N 2 0 296.415 -0.408 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633091767 357043116 /nfs/dbraw/zinc/04/31/16/357043116.db2.gz XGPQNEQWUCPELQ-STQMWFEESA-N 2 0 294.399 -0.641 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)[C@@H]2C1 ZINC000633099979 357045282 /nfs/dbraw/zinc/04/52/82/357045282.db2.gz MJZAAZGIZRMSGH-MROQNXINSA-N 2 0 292.383 -0.888 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633100615 357045326 /nfs/dbraw/zinc/04/53/26/357045326.db2.gz HTEVVGMDMLABTR-RYUDHWBXSA-N 2 0 282.388 -0.642 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)C1 ZINC000633116097 357049572 /nfs/dbraw/zinc/04/95/72/357049572.db2.gz OXVLGYGTFGCTHO-JHJVBQTASA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000633116745 357050247 /nfs/dbraw/zinc/05/02/47/357050247.db2.gz WZWLINKEKLXDTQ-FRRDWIJNSA-N 2 0 294.399 -0.369 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)C1 ZINC000633150581 357052863 /nfs/dbraw/zinc/05/28/63/357052863.db2.gz ZWRAWSADCBQMAP-FRRDWIJNSA-N 2 0 296.415 -0.265 20 0 CBADRP COC1(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC[NH2+]CC1 ZINC000634275976 357114530 /nfs/dbraw/zinc/11/45/30/357114530.db2.gz RMBIGZFGTFVGST-QWRGUYRKSA-N 2 0 255.362 -0.036 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000633481133 357069053 /nfs/dbraw/zinc/06/90/53/357069053.db2.gz KCPSFRIDNNSQKO-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@@H+]1C ZINC000633699883 357081907 /nfs/dbraw/zinc/08/19/07/357081907.db2.gz ZKVPVYOJGNRTPQ-RWMBFGLXSA-N 2 0 269.389 -0.101 20 0 CBADRP O=C(NC[C@H]1CCCC[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000634270774 357114272 /nfs/dbraw/zinc/11/42/72/357114272.db2.gz PPNMGLQVPJTQLG-ZIAGYGMSSA-N 2 0 295.431 -0.182 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1CCO[C@H]1C[NH3+])C2 ZINC000634741898 357131938 /nfs/dbraw/zinc/13/19/38/357131938.db2.gz SEZYGIZTBUURDQ-WVWOOGAGSA-N 2 0 267.373 -0.192 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C[C@H]1COCC[NH2+]1)C2 ZINC000634744227 357132298 /nfs/dbraw/zinc/13/22/98/357132298.db2.gz RJAMFWFZOLOJAL-FPMFFAJLSA-N 2 0 267.373 -0.177 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000634752548 357133403 /nfs/dbraw/zinc/13/34/03/357133403.db2.gz ODBFJSSWZGZXNR-GHMZBOCLSA-N 2 0 255.362 -0.131 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634762442 357133533 /nfs/dbraw/zinc/13/35/33/357133533.db2.gz XKFOCJIYTBTERW-AAEUAGOBSA-N 2 0 298.431 -0.020 20 0 CBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000634761485 357133707 /nfs/dbraw/zinc/13/37/07/357133707.db2.gz CFMWMIUOMBXKNZ-NWDGAFQWSA-N 2 0 296.415 -0.251 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768728 357134356 /nfs/dbraw/zinc/13/43/56/357134356.db2.gz WJJQGSTWNPSEMX-WZRBSPASSA-N 2 0 253.346 -0.377 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634769554 357135143 /nfs/dbraw/zinc/13/51/43/357135143.db2.gz FREQGTOHDPYDOG-YPMHNXCESA-N 2 0 252.362 -0.850 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)CC12CC(C1)C[NH2+]2 ZINC000634991253 357141225 /nfs/dbraw/zinc/14/12/25/357141225.db2.gz WFINSFIJUWOAMA-UHFFFAOYSA-N 2 0 252.362 -0.898 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634991011 357141653 /nfs/dbraw/zinc/14/16/53/357141653.db2.gz LONPGIMXQATLBU-MBHSVXNSSA-N 2 0 266.389 -0.475 20 0 CBADRP CC(C)[C@@H](C[NH3+])CN1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000634997346 357142617 /nfs/dbraw/zinc/14/26/17/357142617.db2.gz JIQVXKOKWPLESE-AWEZNQCLSA-N 2 0 297.447 -0.140 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H](C)[NH+](C)C ZINC000635533232 357173766 /nfs/dbraw/zinc/17/37/66/357173766.db2.gz OWUHALVNVPKPAC-VXGBXAGGSA-N 2 0 256.394 -0.311 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635498980 357169260 /nfs/dbraw/zinc/16/92/60/357169260.db2.gz NLDQRAIWIILKCT-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2C[C@@H]3COC[C@@H]3C2)C1=O ZINC000634533872 357122652 /nfs/dbraw/zinc/12/26/52/357122652.db2.gz SDUXFJWPKSOPQA-TUAOUCFPSA-N 2 0 281.356 -0.746 20 0 CBADRP C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)[NH+](C)C ZINC000635711537 357195357 /nfs/dbraw/zinc/19/53/57/357195357.db2.gz RFHZMMHGQCXVHU-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)CC1 ZINC000635928436 357234075 /nfs/dbraw/zinc/23/40/75/357234075.db2.gz GKHVCKKXIWMIMT-OLZOCXBDSA-N 2 0 281.400 -0.004 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000635947957 357238306 /nfs/dbraw/zinc/23/83/06/357238306.db2.gz GJMPGPIJWXMPTR-SRVKXCTJSA-N 2 0 255.362 -0.539 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC1CC[NH+](C2CC2)CC1 ZINC000636516402 357287771 /nfs/dbraw/zinc/28/77/71/357287771.db2.gz BLIBLHOMVSNEEF-CQSZACIVSA-N 2 0 296.415 -0.021 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000636578687 357289814 /nfs/dbraw/zinc/28/98/14/357289814.db2.gz NLODGZOFCIYYIA-MGPQQGTHSA-N 2 0 296.415 -0.021 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000636581249 357290440 /nfs/dbraw/zinc/29/04/40/357290440.db2.gz XBNPICRBJDGWTR-OCCSQVGLSA-N 2 0 296.415 -0.164 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000636596606 357292082 /nfs/dbraw/zinc/29/20/82/357292082.db2.gz SUSISALAZONIJA-IHRRRGAJSA-N 2 0 296.415 -0.021 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000636596605 357292255 /nfs/dbraw/zinc/29/22/55/357292255.db2.gz SUSISALAZONIJA-HZSPNIEDSA-N 2 0 296.415 -0.021 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000636596607 357292325 /nfs/dbraw/zinc/29/23/25/357292325.db2.gz SUSISALAZONIJA-MCIONIFRSA-N 2 0 296.415 -0.021 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000636665497 357295181 /nfs/dbraw/zinc/29/51/81/357295181.db2.gz LPMZERYTEMFZCJ-NWDGAFQWSA-N 2 0 272.393 -0.308 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000636665500 357295833 /nfs/dbraw/zinc/29/58/33/357295833.db2.gz LPMZERYTEMFZCJ-VXGBXAGGSA-N 2 0 272.393 -0.308 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000636844695 357306924 /nfs/dbraw/zinc/30/69/24/357306924.db2.gz KYQFEQASYFSJQW-RWMBFGLXSA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC000636081083 357261945 /nfs/dbraw/zinc/26/19/45/357261945.db2.gz TVONOUGPOBONEQ-GFCCVEGCSA-N 2 0 296.415 -0.093 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000636290686 357277607 /nfs/dbraw/zinc/27/76/07/357277607.db2.gz BQPHXBMLUOUJAL-NSHDSACASA-N 2 0 255.362 -0.489 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N[C@H]1CC[NH2+]C1 ZINC000637812358 357369556 /nfs/dbraw/zinc/36/95/56/357369556.db2.gz RRKUGBIDDBPVLU-LBPRGKRZSA-N 2 0 273.377 -0.551 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000637811816 357369771 /nfs/dbraw/zinc/36/97/71/357369771.db2.gz WXTKBENMYVOGFS-LBPRGKRZSA-N 2 0 282.388 -0.782 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH3+])C1 ZINC000637821485 357370689 /nfs/dbraw/zinc/37/06/89/357370689.db2.gz RRBFDYGATGBLMY-NSHDSACASA-N 2 0 255.362 -0.096 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000637825626 357371867 /nfs/dbraw/zinc/37/18/67/357371867.db2.gz WVQBMTNNMPAXQM-DGCLKSJQSA-N 2 0 255.362 -0.048 20 0 CBADRP CC[NH2+]CC1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000637860682 357378192 /nfs/dbraw/zinc/37/81/92/357378192.db2.gz CKJMLTYOKDUTSF-UHFFFAOYSA-N 2 0 268.405 -0.260 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000637837112 357373440 /nfs/dbraw/zinc/37/34/40/357373440.db2.gz CGHHRWWQPSTKIL-CYBMUJFWSA-N 2 0 287.404 -0.208 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000637835062 357373659 /nfs/dbraw/zinc/37/36/59/357373659.db2.gz JPCJVVWYSCISDQ-ZIAGYGMSSA-N 2 0 296.415 -0.787 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000637834300 357373849 /nfs/dbraw/zinc/37/38/49/357373849.db2.gz BMNGHPGRKOXIQS-ZDUSSCGKSA-N 2 0 268.405 -0.308 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C[N@@H+]1C1CC1 ZINC000636907203 357311000 /nfs/dbraw/zinc/31/10/00/357311000.db2.gz LUXPAJSWVRIAQY-OUCADQQQSA-N 2 0 296.415 -0.023 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C[N@@H+]1C1CC1 ZINC000636907206 357311429 /nfs/dbraw/zinc/31/14/29/357311429.db2.gz LUXPAJSWVRIAQY-YRGRVCCFSA-N 2 0 296.415 -0.023 20 0 CBADRP CN1CCOC[C@@H]1CNC(=O)NCCOCC[NH+](C)C ZINC000637079487 357321214 /nfs/dbraw/zinc/32/12/14/357321214.db2.gz YLKFAHQPOSGDSR-LBPRGKRZSA-N 2 0 288.392 -0.806 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000637147224 357325834 /nfs/dbraw/zinc/32/58/34/357325834.db2.gz HALDGVWOVWWLPL-QWRGUYRKSA-N 2 0 258.366 -0.698 20 0 CBADRP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CC[NH2+]C1 ZINC000637838408 357375549 /nfs/dbraw/zinc/37/55/49/357375549.db2.gz WJGXCUWZKQEFSW-LBPRGKRZSA-N 2 0 265.361 -0.121 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000637283637 357336998 /nfs/dbraw/zinc/33/69/98/357336998.db2.gz WILINDZGILNGJZ-QWHCGFSZSA-N 2 0 284.404 -0.164 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC[NH2+]C2CC2)[C@H](C)C1 ZINC000637316940 357339221 /nfs/dbraw/zinc/33/92/21/357339221.db2.gz JGCLFKQWLHEUPB-VXGBXAGGSA-N 2 0 284.404 -0.165 20 0 CBADRP CC1(C)CN(C(=O)NCC[NH2+]C2CC2)CC[N@@H+]1CCO ZINC000637317783 357339378 /nfs/dbraw/zinc/33/93/78/357339378.db2.gz QKESXWAASMPTKL-UHFFFAOYSA-N 2 0 284.404 -0.164 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000637379112 357341781 /nfs/dbraw/zinc/34/17/81/357341781.db2.gz BOVFDMBWNQGKKC-WOPDTQHZSA-N 2 0 270.377 -0.603 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C)C[C@H]2C[NH3+])CC[N@@H+]1C ZINC000637864027 357378418 /nfs/dbraw/zinc/37/84/18/357378418.db2.gz KLTVCFYWXYXYRH-FRRDWIJNSA-N 2 0 268.405 -0.182 20 0 CBADRP CC1(C)CN(C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@@H+]1CCO ZINC000637719185 357362381 /nfs/dbraw/zinc/36/23/81/357362381.db2.gz XCYHDCKKPDGZPO-LBPRGKRZSA-N 2 0 284.404 -0.164 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)NC1CC[NH2+]CC1 ZINC000637797235 357364347 /nfs/dbraw/zinc/36/43/47/357364347.db2.gz ASMADCAWWFQYFX-UHFFFAOYSA-N 2 0 287.404 -0.161 20 0 CBADRP [NH3+]C[C@@]1(C(=O)NCC2CC[NH2+]CC2)CCCOC1 ZINC000637805098 357366378 /nfs/dbraw/zinc/36/63/78/357366378.db2.gz JFAAFKURCXVXCA-ZDUSSCGKSA-N 2 0 255.362 -0.142 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N2CCC[NH2+]CC2)cn1 ZINC000637803843 357366738 /nfs/dbraw/zinc/36/67/38/357366738.db2.gz PIQJRSCFXLFJME-UHFFFAOYSA-N 2 0 265.361 -0.120 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NCCC[NH2+]Cc1cccnc1 ZINC000637807353 357367804 /nfs/dbraw/zinc/36/78/04/357367804.db2.gz VZCBITYIZIEEJK-UHFFFAOYSA-N 2 0 291.399 -0.417 20 0 CBADRP CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000637809227 357367893 /nfs/dbraw/zinc/36/78/93/357367893.db2.gz NJZFPHWJKDBXNH-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000637811492 357368409 /nfs/dbraw/zinc/36/84/09/357368409.db2.gz MFKOGCVFGJJSNJ-KGLIPLIRSA-N 2 0 276.384 -0.076 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000638236955 357441112 /nfs/dbraw/zinc/44/11/12/357441112.db2.gz MMVXMERAPIZRGL-RYUDHWBXSA-N 2 0 254.378 -0.510 20 0 CBADRP [NH3+][C@H]1CC=C(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000638236472 357441243 /nfs/dbraw/zinc/44/12/43/357441243.db2.gz CSKGCCAYAWFFJD-QWHCGFSZSA-N 2 0 264.373 -0.460 20 0 CBADRP C[C@@]1(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C[NH2+]CCO1 ZINC000638235816 357441661 /nfs/dbraw/zinc/44/16/61/357441661.db2.gz ZXHVHPRLXONHLF-KBPBESRZSA-N 2 0 267.373 -0.033 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638047602 357404735 /nfs/dbraw/zinc/40/47/35/357404735.db2.gz IHBFNHXBISWPLR-WCQYABFASA-N 2 0 255.362 -0.035 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC[NH+]2CCCC2)C1 ZINC000638055193 357406011 /nfs/dbraw/zinc/40/60/11/357406011.db2.gz GKCPIHSBAVAIAE-YPMHNXCESA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]C[C@]1(C(=O)NCC[NH+]2CCCC2)CCCOC1 ZINC000638054590 357406379 /nfs/dbraw/zinc/40/63/79/357406379.db2.gz GDBSHNYBVAFDGO-CYBMUJFWSA-N 2 0 255.362 -0.046 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638054446 357406689 /nfs/dbraw/zinc/40/66/89/357406689.db2.gz DHZWTQJCSIIWCN-FRRDWIJNSA-N 2 0 285.388 -0.424 20 0 CBADRP C[C@@]1(C(=O)N[C@H]2CC23CC[NH2+]CC3)C[NH2+]CCO1 ZINC000638243599 357442101 /nfs/dbraw/zinc/44/21/01/357442101.db2.gz CGJMOSFJRNYSCD-JQWIXIFHSA-N 2 0 253.346 -0.377 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)CN2CC[NH2+]CC2)C1 ZINC000638070694 357409298 /nfs/dbraw/zinc/40/92/98/357409298.db2.gz UZZILBGYOBPBTO-ZDUSSCGKSA-N 2 0 268.405 -0.260 20 0 CBADRP [NH3+]C[C@@]1(C(=O)NCCC[NH+]2CCC(O)CC2)CCCOC1 ZINC000638070209 357409764 /nfs/dbraw/zinc/40/97/64/357409764.db2.gz PDCLIERZIDAXBS-HNNXBMFYSA-N 2 0 299.415 -0.295 20 0 CBADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CN1CC[NH2+]CC1 ZINC000638071035 357409918 /nfs/dbraw/zinc/40/99/18/357409918.db2.gz ZAKDKZJTSPCLJG-CYBMUJFWSA-N 2 0 268.405 -0.118 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000638072271 357410490 /nfs/dbraw/zinc/41/04/90/357410490.db2.gz LWIKYDFWUQBYLY-GVXVVHGQSA-N 2 0 255.362 -0.179 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000638075064 357411213 /nfs/dbraw/zinc/41/12/13/357411213.db2.gz PXNIGZKOAXXJLP-RHYQMDGZSA-N 2 0 253.346 -0.154 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000638077365 357412257 /nfs/dbraw/zinc/41/22/57/357412257.db2.gz RRFNEXPLKSGVJO-MDZLAQPJSA-N 2 0 255.362 -0.036 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000638078181 357412725 /nfs/dbraw/zinc/41/27/25/357412725.db2.gz FAZCUKMSJPWKDX-GVXVVHGQSA-N 2 0 255.362 -0.036 20 0 CBADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638084909 357413762 /nfs/dbraw/zinc/41/37/62/357413762.db2.gz HKDZJTZSTALFTE-WCQYABFASA-N 2 0 255.362 -0.177 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638084908 357413819 /nfs/dbraw/zinc/41/38/19/357413819.db2.gz HKDZJTZSTALFTE-DGCLKSJQSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+]1CCC(CNC(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638084937 357413829 /nfs/dbraw/zinc/41/38/29/357413829.db2.gz HVAOVVOEWKNJAV-ZDUSSCGKSA-N 2 0 255.362 -0.177 20 0 CBADRP CC[NH2+][C@H](C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000638090478 357414783 /nfs/dbraw/zinc/41/47/83/357414783.db2.gz XLKQVVWLDAVESF-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP COCC[N@H+](C)CCNC(=O)c1cnc(C[NH3+])nc1 ZINC000638090415 357414962 /nfs/dbraw/zinc/41/49/62/357414962.db2.gz DIGPWXYNVQINRC-UHFFFAOYSA-N 2 0 267.333 -0.757 20 0 CBADRP CC[N@H+](CCNC(=O)[C@]1(C)C[NH2+]CCO1)C1CC1 ZINC000638097941 357415691 /nfs/dbraw/zinc/41/56/91/357415691.db2.gz XWLZYGCJDKPKOJ-ZDUSSCGKSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000638098186 357416209 /nfs/dbraw/zinc/41/62/09/357416209.db2.gz KJJUCSPVUWJTAL-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638100540 357416987 /nfs/dbraw/zinc/41/69/87/357416987.db2.gz PZIWTPKTVOTGDF-UMVBOHGHSA-N 2 0 299.415 -0.020 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(COC)CCCC[NH2+]2)C1 ZINC000638100840 357417424 /nfs/dbraw/zinc/41/74/24/357417424.db2.gz MWVVRTAAABDXAX-ZFWWWQNUSA-N 2 0 299.415 -0.018 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@]2(C[NH3+])CCCOC2)CCOCC1 ZINC000638110312 357420633 /nfs/dbraw/zinc/42/06/33/357420633.db2.gz DEOKBMQLHUAWFZ-AWEZNQCLSA-N 2 0 299.415 -0.031 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@]2(C)C[NH2+]CCO2)CC[N@@H+]1C ZINC000638116151 357421047 /nfs/dbraw/zinc/42/10/47/357421047.db2.gz XLJZPSUKHRBTSE-WZRBSPASSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)CN2CC[NH2+]CC2)C1 ZINC000638124648 357421907 /nfs/dbraw/zinc/42/19/07/357421907.db2.gz BOGJFTVXTYIWGV-LBPRGKRZSA-N 2 0 254.378 -0.650 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)CN1CC[NH2+]CC1 ZINC000638129777 357422607 /nfs/dbraw/zinc/42/26/07/357422607.db2.gz DUIPYTHAEQEHJZ-CYBMUJFWSA-N 2 0 286.420 -0.635 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[NH+]2CCC(OC)CC2)C1 ZINC000638126072 357422951 /nfs/dbraw/zinc/42/29/51/357422951.db2.gz PBSKTGOCSLUAKW-ZFWWWQNUSA-N 2 0 299.415 -0.020 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000638131970 357423079 /nfs/dbraw/zinc/42/30/79/357423079.db2.gz GAIDXJLSQGBBSH-XQQFMLRXSA-N 2 0 283.372 -0.717 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638130199 357423359 /nfs/dbraw/zinc/42/33/59/357423359.db2.gz HSEGORPSKCJJPW-JSGCOSHPSA-N 2 0 287.404 -0.162 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C[N@@H+]1C1CC1 ZINC000638132263 357423416 /nfs/dbraw/zinc/42/34/16/357423416.db2.gz FXJJJCRNRYZQBD-PKZYVASSSA-N 2 0 253.346 -0.156 20 0 CBADRP C[C@]1(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[NH2+]CCO1 ZINC000638133174 357424038 /nfs/dbraw/zinc/42/40/38/357424038.db2.gz ITUBEAAFEZOFCM-UKRRQHHQSA-N 2 0 297.399 -0.454 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638137724 357424158 /nfs/dbraw/zinc/42/41/58/357424158.db2.gz MQJOMDUUVSGTJO-HNNXBMFYSA-N 2 0 298.431 -0.491 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638134025 357424363 /nfs/dbraw/zinc/42/43/63/357424363.db2.gz LBNJGQRYYBAEQF-SCDSUCTJSA-N 2 0 267.373 -0.036 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000638141094 357424842 /nfs/dbraw/zinc/42/48/42/357424842.db2.gz GRJHWFYIVIPLCM-GFCCVEGCSA-N 2 0 252.362 -0.756 20 0 CBADRP C[C@@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)N1CC[NH+](C)CC1 ZINC000638139693 357424887 /nfs/dbraw/zinc/42/48/87/357424887.db2.gz GDZKHMJSSYYYRM-GXTWGEPZSA-N 2 0 284.404 -0.883 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000638138134 357424972 /nfs/dbraw/zinc/42/49/72/357424972.db2.gz WFLIMUFVEOLLJY-OLZOCXBDSA-N 2 0 270.421 -0.016 20 0 CBADRP CC[NH2+][C@H](C)C(=O)NCCN1CC[NH+](CC)CC1 ZINC000638138196 357425472 /nfs/dbraw/zinc/42/54/72/357425472.db2.gz XPOIYLRIZADQAY-GFCCVEGCSA-N 2 0 256.394 -0.262 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)C1 ZINC000638149944 357426088 /nfs/dbraw/zinc/42/60/88/357426088.db2.gz ULFZJBVZKUUEJV-ZPFDUUQYSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@]1(CNC(=O)[C@@]2(C)C[NH2+]CCO2)CCC[NH2+]C1 ZINC000638162149 357428465 /nfs/dbraw/zinc/42/84/65/357428465.db2.gz CZTYMTAFYLYTHS-QWHCGFSZSA-N 2 0 255.362 -0.129 20 0 CBADRP [NH3+]C[C@@]1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCCOC1 ZINC000638168511 357430513 /nfs/dbraw/zinc/43/05/13/357430513.db2.gz BAIWQUXZEJSZKK-KGLIPLIRSA-N 2 0 267.373 -0.046 20 0 CBADRP CN(C(=O)[C@@]1(C)C[NH2+]CCO1)C1CC[NH+](C)CC1 ZINC000638168010 357430719 /nfs/dbraw/zinc/43/07/19/357430719.db2.gz BCGPPRZGILLWEX-CYBMUJFWSA-N 2 0 255.362 -0.083 20 0 CBADRP COC[C@@]1(C(=O)N2CCO[C@@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000638173121 357430961 /nfs/dbraw/zinc/43/09/61/357430961.db2.gz SYIHSGCIYQZEPL-WCQYABFASA-N 2 0 271.361 -0.669 20 0 CBADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000638172438 357431098 /nfs/dbraw/zinc/43/10/98/357431098.db2.gz OOKFDTITZBCBQA-KBPBESRZSA-N 2 0 293.367 -0.249 20 0 CBADRP C[C@]1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C[NH2+]CCO1 ZINC000638172236 357431565 /nfs/dbraw/zinc/43/15/65/357431565.db2.gz UPJVGINPJFWIKT-OLZOCXBDSA-N 2 0 253.346 -0.423 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000638197840 357432829 /nfs/dbraw/zinc/43/28/29/357432829.db2.gz DNNINAOGZOKZIM-UHXUPSOCSA-N 2 0 267.373 -0.036 20 0 CBADRP C[C@@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[NH2+]CCO1 ZINC000638197070 357433501 /nfs/dbraw/zinc/43/35/01/357433501.db2.gz FBWOWFITFWUPIF-LOWVWBTDSA-N 2 0 253.346 -0.282 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638204269 357434292 /nfs/dbraw/zinc/43/42/92/357434292.db2.gz PHRIIDPKXMLEHL-NTZNESFSSA-N 2 0 255.362 -0.144 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@]2(C)C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000638206854 357435089 /nfs/dbraw/zinc/43/50/89/357435089.db2.gz LOWWIARDXAJWMB-WZRBSPASSA-N 2 0 255.362 -0.049 20 0 CBADRP COCC1(CNC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC[NH2+]CC1 ZINC000638224008 357435771 /nfs/dbraw/zinc/43/57/71/357435771.db2.gz CLXLWYDXJYKCAS-GXTWGEPZSA-N 2 0 299.415 -0.114 20 0 CBADRP [NH3+]CC[C@H]1CCCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000638217901 357436146 /nfs/dbraw/zinc/43/61/46/357436146.db2.gz QQDJZOWMBCNOHA-GFCCVEGCSA-N 2 0 254.378 -0.521 20 0 CBADRP C[C@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[NH+](C)C ZINC000638227991 357437920 /nfs/dbraw/zinc/43/79/20/357437920.db2.gz VKGFCEYUOVTQTO-VXGBXAGGSA-N 2 0 254.378 -0.557 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000638228650 357438498 /nfs/dbraw/zinc/43/84/98/357438498.db2.gz IQOJSIAUTBKKPW-NEPJUHHUSA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CCO1 ZINC000637868357 357380052 /nfs/dbraw/zinc/38/00/52/357380052.db2.gz XLBSAGWYDVQATQ-STQMWFEESA-N 2 0 299.415 -0.081 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000637867943 357380184 /nfs/dbraw/zinc/38/01/84/357380184.db2.gz VQNDOCRFNWUQOY-KQXIARHKSA-N 2 0 271.361 -0.672 20 0 CBADRP COC[C@]1(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CCCC[NH2+]1 ZINC000637868666 357380239 /nfs/dbraw/zinc/38/02/39/357380239.db2.gz YQUVIEVZLUHPOT-OBJOEFQTSA-N 2 0 285.388 -0.280 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CN1CC[NH+](CC)CC1 ZINC000638572778 357495078 /nfs/dbraw/zinc/49/50/78/357495078.db2.gz YJRVHVGJCCXQFJ-QWHCGFSZSA-N 2 0 268.405 -0.119 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000638572114 357495326 /nfs/dbraw/zinc/49/53/26/357495326.db2.gz HWPIOOOAHFGWRA-GRYCIOLGSA-N 2 0 292.387 -0.100 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000638571618 357495574 /nfs/dbraw/zinc/49/55/74/357495574.db2.gz NCBWTDMMGGKGKG-RWMBFGLXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH2+]CCOCCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000638577759 357497375 /nfs/dbraw/zinc/49/73/75/357497375.db2.gz VIOPNXVMMLJDTC-CYBMUJFWSA-N 2 0 295.387 -0.227 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000638579162 357498071 /nfs/dbraw/zinc/49/80/71/357498071.db2.gz MWAJCBCDMBAVCL-SECBINFHSA-N 2 0 265.304 -0.417 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000638591811 357499502 /nfs/dbraw/zinc/49/95/02/357499502.db2.gz MGXFBQXGIJAFOG-AAEUAGOBSA-N 2 0 255.362 -0.320 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000638591814 357499612 /nfs/dbraw/zinc/49/96/12/357499612.db2.gz MGXFBQXGIJAFOG-YPMHNXCESA-N 2 0 255.362 -0.320 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000638591056 357499690 /nfs/dbraw/zinc/49/96/90/357499690.db2.gz AXSKIDQMRXXLHT-LLVKDONJSA-N 2 0 259.350 -0.941 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H]2COCC[NH2+]2)CCCC[NH2+]1 ZINC000638612229 357503421 /nfs/dbraw/zinc/50/34/21/357503421.db2.gz NUHJORPJOVNSDP-YPMHNXCESA-N 2 0 271.361 -0.750 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638611602 357504316 /nfs/dbraw/zinc/50/43/16/357504316.db2.gz IVVDZITVGBJGMQ-LBPRGKRZSA-N 2 0 285.388 -0.551 20 0 CBADRP COc1cccc([C@H]([NH3+])C(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000638613477 357504796 /nfs/dbraw/zinc/50/47/96/357504796.db2.gz XKQZUNQTGFCQMT-AAEUAGOBSA-N 2 0 279.340 -0.200 20 0 CBADRP O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@H]1COCC[NH2+]1 ZINC000638613249 357505499 /nfs/dbraw/zinc/50/54/99/357505499.db2.gz UWPHYMJISHZTDC-RYUDHWBXSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1COCC[NH2+]1 ZINC000638615558 357506119 /nfs/dbraw/zinc/50/61/19/357506119.db2.gz FHHSVOTYSPUBJD-ZJUUUORDSA-N 2 0 259.375 -0.814 20 0 CBADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638616355 357508171 /nfs/dbraw/zinc/50/81/71/357508171.db2.gz LGXQGICTTKIJLT-GHMZBOCLSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000638257791 357444677 /nfs/dbraw/zinc/44/46/77/357444677.db2.gz WWLBXNSYLILEPV-NXEZZACHSA-N 2 0 253.350 -0.090 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@]1(C[NH3+])CCCOC1)C(F)F ZINC000638257666 357444881 /nfs/dbraw/zinc/44/48/81/357444881.db2.gz CMUNACUYOAFNGO-KWQFWETISA-N 2 0 265.304 -0.159 20 0 CBADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638261309 357445263 /nfs/dbraw/zinc/44/52/63/357445263.db2.gz DPWITCHODULHEU-LLVKDONJSA-N 2 0 254.378 -0.604 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000638264892 357445707 /nfs/dbraw/zinc/44/57/07/357445707.db2.gz YSGMYOSIUWLZLT-XQHKEYJVSA-N 2 0 267.373 -0.049 20 0 CBADRP [NH3+]C[C@@]1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CCCOC1 ZINC000638268196 357446362 /nfs/dbraw/zinc/44/63/62/357446362.db2.gz XISAOMPWKVLLEV-AAEUAGOBSA-N 2 0 271.361 -0.763 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638269266 357447293 /nfs/dbraw/zinc/44/72/93/357447293.db2.gz NMRIDXQBWDPXRI-MDZLAQPJSA-N 2 0 255.362 -0.015 20 0 CBADRP COC[C@]1(C(=O)NCCOCC[NH+](C)C)CCCC[NH2+]1 ZINC000638290540 357451289 /nfs/dbraw/zinc/45/12/89/357451289.db2.gz IHDVFTOKXTXBRY-AWEZNQCLSA-N 2 0 287.404 -0.161 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCCOCC[NH+](C)C)C1 ZINC000638290496 357451617 /nfs/dbraw/zinc/45/16/17/357451617.db2.gz HOOCEOOHUQNNIX-YPMHNXCESA-N 2 0 273.377 -0.552 20 0 CBADRP O=C(CCC1C[NH2+]C1)NCC[N@@H+]1CCCOCC1 ZINC000638293146 357452962 /nfs/dbraw/zinc/45/29/62/357452962.db2.gz HYQGXWBZJPWKCG-UHFFFAOYSA-N 2 0 255.362 -0.176 20 0 CBADRP O=C(CCC1CC[NH2+]CC1)NC[C@H]1COCC[NH2+]1 ZINC000638617450 357509269 /nfs/dbraw/zinc/50/92/69/357509269.db2.gz ZRNDZYJPCHWNDG-LBPRGKRZSA-N 2 0 255.362 -0.129 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638617392 357509315 /nfs/dbraw/zinc/50/93/15/357509315.db2.gz YOVLSVPDORFZFW-ZAZJYDDPSA-N 2 0 297.399 -0.377 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000638326890 357458307 /nfs/dbraw/zinc/45/83/07/357458307.db2.gz ADTKBZCMZZVRCU-KGLIPLIRSA-N 2 0 280.416 -0.118 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638618798 357509334 /nfs/dbraw/zinc/50/93/34/357509334.db2.gz OTAQYMLWZFYDFD-GRYCIOLGSA-N 2 0 255.362 -0.036 20 0 CBADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000638338163 357459308 /nfs/dbraw/zinc/45/93/08/357459308.db2.gz SIVLVBMYGASLEG-KGLIPLIRSA-N 2 0 293.367 -0.330 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000638337642 357459457 /nfs/dbraw/zinc/45/94/57/357459457.db2.gz JDUUFXWJELRLBG-SDDRHHMPSA-N 2 0 255.362 -0.179 20 0 CBADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000638338165 357459803 /nfs/dbraw/zinc/45/98/03/357459803.db2.gz SIVLVBMYGASLEG-ZIAGYGMSSA-N 2 0 293.367 -0.330 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]2(C)C[NH2+]CCO2)C[C@@]1(C)C[NH3+] ZINC000638337339 357459857 /nfs/dbraw/zinc/45/98/57/357459857.db2.gz RIHOOFPUIDAEHK-RAIGVLPGSA-N 2 0 255.362 -0.192 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000638344594 357460632 /nfs/dbraw/zinc/46/06/32/357460632.db2.gz OQGYCFPRSHOYIG-LOWVWBTDSA-N 2 0 271.361 -0.670 20 0 CBADRP COC[C@@]1(C(=O)N2CCC(O)(C[NH3+])CC2)CCCC[NH2+]1 ZINC000638354431 357461221 /nfs/dbraw/zinc/46/12/21/357461221.db2.gz MIKHULOJFPQMDA-CQSZACIVSA-N 2 0 285.388 -0.543 20 0 CBADRP C[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[NH+](C)C ZINC000638365119 357462541 /nfs/dbraw/zinc/46/25/41/357462541.db2.gz AXUSCIBJEHOUIN-ADEWGFFLSA-N 2 0 265.361 -0.377 20 0 CBADRP [NH3+]Cc1ccc(CNC(=O)CN2CC[NH2+]CC2)cc1 ZINC000638374583 357463937 /nfs/dbraw/zinc/46/39/37/357463937.db2.gz OKVMAEZFBBTCRT-UHFFFAOYSA-N 2 0 262.357 -0.333 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638377937 357464548 /nfs/dbraw/zinc/46/45/48/357464548.db2.gz SZIAZOHDFSKHAJ-NWDGAFQWSA-N 2 0 255.362 -0.097 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)CN1CC[NH2+]CC1 ZINC000638382200 357465127 /nfs/dbraw/zinc/46/51/27/357465127.db2.gz SOUNPEIWYMBLKE-UHFFFAOYSA-N 2 0 270.421 -0.014 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@]2(C[NH3+])CCCOC2)C[C@H]1C[NH3+] ZINC000638390709 357465676 /nfs/dbraw/zinc/46/56/76/357465676.db2.gz NIGNJYMDGQMTBM-YRGRVCCFSA-N 2 0 285.388 -0.436 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@]2(C)C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000638390353 357466007 /nfs/dbraw/zinc/46/60/07/357466007.db2.gz LMSKKJCSFBCIFO-NQBHXWOUSA-N 2 0 271.361 -0.813 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)C[C@H]1C[NH3+] ZINC000638390289 357466090 /nfs/dbraw/zinc/46/60/90/357466090.db2.gz JXORGPBZQKWXFH-GFQSEFKGSA-N 2 0 285.388 -0.424 20 0 CBADRP [NH3+]CC1(CCNC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638387317 357466095 /nfs/dbraw/zinc/46/60/95/357466095.db2.gz CGXOIXTYRBVFID-CYBMUJFWSA-N 2 0 255.362 -0.013 20 0 CBADRP C[C@H]1CCCN(C(=O)CN2CC[NH2+]CC2)[C@H]1CC[NH3+] ZINC000638391625 357466660 /nfs/dbraw/zinc/46/66/60/357466660.db2.gz XHVZJAMNHMOGGL-STQMWFEESA-N 2 0 268.405 -0.133 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)c1cnc(C[NH3+])nc1 ZINC000638408002 357469631 /nfs/dbraw/zinc/46/96/31/357469631.db2.gz DSHFGODBQRFSSJ-UHFFFAOYSA-N 2 0 294.403 -0.451 20 0 CBADRP [NH3+]C[C@@]1(C(=O)NCC23CC(C2)C[NH2+]3)CCCOC1 ZINC000638427420 357473854 /nfs/dbraw/zinc/47/38/54/357473854.db2.gz IQQRSTOPYPTINS-YDGIUTOCSA-N 2 0 253.346 -0.390 20 0 CBADRP C[C@]1(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C[NH2+]CCO1 ZINC000638442243 357477581 /nfs/dbraw/zinc/47/75/81/357477581.db2.gz QNOJIECYNJWEFY-RAIGVLPGSA-N 2 0 253.346 -0.295 20 0 CBADRP CC(C)[NH2+]CC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638486416 357483142 /nfs/dbraw/zinc/48/31/42/357483142.db2.gz SJKLLBYMSXSTSZ-UHFFFAOYSA-N 2 0 297.403 -0.846 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638510295 357490799 /nfs/dbraw/zinc/49/07/99/357490799.db2.gz WHLSLBFBYJMZGA-PWSUYJOCSA-N 2 0 282.388 -0.513 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638507183 357490874 /nfs/dbraw/zinc/49/08/74/357490874.db2.gz BLKDWSPVOWNHOJ-GHMZBOCLSA-N 2 0 253.346 -0.234 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@@H]2CC[NH2+]C23CCC3)nn1 ZINC000638510383 357490891 /nfs/dbraw/zinc/49/08/91/357490891.db2.gz JKHMNYNRDDWKLU-LLVKDONJSA-N 2 0 278.360 -0.359 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638504165 357491211 /nfs/dbraw/zinc/49/12/11/357491211.db2.gz DNWSGKZMEXRJQP-NWDGAFQWSA-N 2 0 294.399 -0.355 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638510979 357491645 /nfs/dbraw/zinc/49/16/45/357491645.db2.gz YRHSFHJLLJCDSW-NSHDSACASA-N 2 0 253.346 -0.234 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638515021 357491796 /nfs/dbraw/zinc/49/17/96/357491796.db2.gz WSQUCBNJOZCVDJ-VWYCJHECSA-N 2 0 253.346 -0.249 20 0 CBADRP [NH3+][C@H]1CCCCN(CC(=O)N[C@@H]2CC[NH2+]C23CCC3)C1=O ZINC000638510649 357491862 /nfs/dbraw/zinc/49/18/62/357491862.db2.gz KHDDZPAOCRVSCV-NWDGAFQWSA-N 2 0 294.399 -0.273 20 0 CBADRP COC[C@]1(C(=O)NCC2([NH3+])CCOCC2)CCC[NH2+]1 ZINC000638540637 357493283 /nfs/dbraw/zinc/49/32/83/357493283.db2.gz RPOIUINPCZGQOP-ZDUSSCGKSA-N 2 0 271.361 -0.621 20 0 CBADRP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC1([NH3+])CCOCC1 ZINC000638540543 357493579 /nfs/dbraw/zinc/49/35/79/357493579.db2.gz OQLCYOPEPKOYDK-GHMZBOCLSA-N 2 0 255.362 -0.015 20 0 CBADRP CC1(C)CC[NH2+][C@H]1C(=O)NCC1([NH3+])CCOCC1 ZINC000638540876 357494708 /nfs/dbraw/zinc/49/47/08/357494708.db2.gz MXBROOXTTGHANX-JTQLQIEISA-N 2 0 255.362 -0.001 20 0 CBADRP CC(C)(O)C[NH+]1CCC(NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000639354712 357569228 /nfs/dbraw/zinc/56/92/28/357569228.db2.gz KUAMQQMXGOMJDQ-CQSZACIVSA-N 2 0 285.432 -0.122 20 0 CBADRP [NH3+]CC1(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)CCOCC1 ZINC000638634926 357514220 /nfs/dbraw/zinc/51/42/20/357514220.db2.gz VDUCJNHYDMGXEW-VIFPVBQESA-N 2 0 277.315 -0.145 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]C1 ZINC000638642372 357514614 /nfs/dbraw/zinc/51/46/14/357514614.db2.gz GGGPNVPFBPEJJM-MDZLAQPJSA-N 2 0 255.362 -0.131 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643099 357514995 /nfs/dbraw/zinc/51/49/95/357514995.db2.gz KOWKUCCUDYPPNP-SCVCMEIPSA-N 2 0 270.377 -0.657 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)c2cn(CCC[NH3+])nn2)C[NH2+]1 ZINC000638642466 357515040 /nfs/dbraw/zinc/51/50/40/357515040.db2.gz HDQKBMDHQHBRSI-UWVGGRQHSA-N 2 0 266.349 -0.503 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)c2cn(CCCC[NH3+])nn2)C[NH2+]1 ZINC000638653882 357516660 /nfs/dbraw/zinc/51/66/60/357516660.db2.gz ZYHZZCDFOZBYPI-GHMZBOCLSA-N 2 0 280.376 -0.113 20 0 CBADRP CO[C@]1(C[NH2+]CC2(O)CC[NH+](C)CC2)CCOC1 ZINC000638681122 357520860 /nfs/dbraw/zinc/52/08/60/357520860.db2.gz CTSIFZSSZDCFKR-ZDUSSCGKSA-N 2 0 258.362 -0.162 20 0 CBADRP C[NH2+]CC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638780982 357528261 /nfs/dbraw/zinc/52/82/61/357528261.db2.gz YPZDNBCCLQOGRF-GFCCVEGCSA-N 2 0 255.362 -0.177 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000638802324 357532406 /nfs/dbraw/zinc/53/24/06/357532406.db2.gz TUZYRNGAJNIIKY-BIAAXOCRSA-N 2 0 267.373 -0.003 20 0 CBADRP [NH3+]Cc1ccc2c(c1)N(C(=O)[C@H]1C[NH2+]CCO1)CCO2 ZINC000638803573 357533255 /nfs/dbraw/zinc/53/32/55/357533255.db2.gz NWUBMGFLEJULMI-CYBMUJFWSA-N 2 0 277.324 -0.141 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638814697 357533585 /nfs/dbraw/zinc/53/35/85/357533585.db2.gz AKYMSNGLEFVKLE-VXGBXAGGSA-N 2 0 256.394 -0.005 20 0 CBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3C[C@H]([NH3+])C3)CC2)C1=O ZINC000638855921 357538857 /nfs/dbraw/zinc/53/88/57/357538857.db2.gz IPZTXMOYVGYZJZ-GVXVVHGQSA-N 2 0 294.399 -0.465 20 0 CBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3C[C@@H]([NH3+])C3)CC2)C1=O ZINC000638855922 357539017 /nfs/dbraw/zinc/53/90/17/357539017.db2.gz IPZTXMOYVGYZJZ-LOWVWBTDSA-N 2 0 294.399 -0.465 20 0 CBADRP CN(C(=O)[C@H](N)CC[NH+](C)C)[C@H]1C[NH+]2CCC1CC2 ZINC000638853785 357539106 /nfs/dbraw/zinc/53/91/06/357539106.db2.gz JSYINICGKDFAGK-OLZOCXBDSA-N 2 0 268.405 -0.182 20 0 CBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)C3(C)C[NH2+]C3)CC2)C1=O ZINC000638856822 357539250 /nfs/dbraw/zinc/53/92/50/357539250.db2.gz UMUWDPYDOMVRGQ-GFCCVEGCSA-N 2 0 294.399 -0.593 20 0 CBADRP CN(C(=O)CCOC1C[NH2+]C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000638854830 357539304 /nfs/dbraw/zinc/53/93/04/357539304.db2.gz USCGFSNKOFEVRT-CYBMUJFWSA-N 2 0 267.373 -0.083 20 0 CBADRP [NH3+][C@H](CCNC(=O)CN1CC[NH2+]CC1)Cc1ccccc1 ZINC000638881929 357539898 /nfs/dbraw/zinc/53/98/98/357539898.db2.gz YVJYXLCRUGOQGK-OAHLLOKOSA-N 2 0 290.411 -0.032 20 0 CBADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914897 357542709 /nfs/dbraw/zinc/54/27/09/357542709.db2.gz JOWUFEMTQHVRBK-AVGNSLFASA-N 2 0 275.356 -0.006 20 0 CBADRP O=C(N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638926671 357544186 /nfs/dbraw/zinc/54/41/86/357544186.db2.gz KXOKBLBDNYWMGN-KQXIARHKSA-N 2 0 251.330 -0.815 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000638936030 357546177 /nfs/dbraw/zinc/54/61/77/357546177.db2.gz PGVMFTVZSCOMEK-NEPJUHHUSA-N 2 0 254.378 -0.428 20 0 CBADRP C[N@@H+]1CCN(CC[NH2+]Cc2cnc(N)nc2N)CC1(C)C ZINC000639135677 357557979 /nfs/dbraw/zinc/55/79/79/357557979.db2.gz HDBBSRXZZOUKJJ-UHFFFAOYSA-N 2 0 293.419 -0.583 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639841666 357602926 /nfs/dbraw/zinc/60/29/26/357602926.db2.gz XLWXCELRGYFZDL-WOPDTQHZSA-N 2 0 282.388 -0.621 20 0 CBADRP CC[NH+](CC)CCC[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639845475 357603905 /nfs/dbraw/zinc/60/39/05/357603905.db2.gz LXTVEJXFUAFYPO-QWRGUYRKSA-N 2 0 270.377 -0.763 20 0 CBADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639945037 357620375 /nfs/dbraw/zinc/62/03/75/357620375.db2.gz RCBIGWLBHMXWLZ-TUKIKUTGSA-N 2 0 297.399 -0.328 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000641194527 357677973 /nfs/dbraw/zinc/67/79/73/357677973.db2.gz NSXYFCNMJCIKRT-UTUOFQBUSA-N 2 0 269.393 -0.459 20 0 CBADRP CC(C[NH+]1C[C@@H]2C[C@]2(O)C1)C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640478486 357656023 /nfs/dbraw/zinc/65/60/23/357656023.db2.gz BHYKKTUEBKVYHO-XUXIUFHCSA-N 2 0 252.358 -0.244 20 0 CBADRP C[C@H](CC[N@@H+]1C[C@@H]2C[C@]2(O)C1)[NH+]1C[C@@H]2C[C@]2(O)C1 ZINC000640481973 357656592 /nfs/dbraw/zinc/65/65/92/357656592.db2.gz OMGMRNCSMJLWMC-QMVSFRDZSA-N 2 0 252.358 -0.102 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000640949217 357669602 /nfs/dbraw/zinc/66/96/02/357669602.db2.gz OJMHVHGXWDZGGH-KXNHARMFSA-N 2 0 270.377 -0.258 20 0 CBADRP C[C@H]([NH3+])CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000641493511 357713223 /nfs/dbraw/zinc/71/32/23/357713223.db2.gz NUHVWTZDYSEJQB-WDEREUQCSA-N 2 0 272.393 -0.180 20 0 CBADRP C[N@H+](C[C@@H](O)Cn1cc(C[C@H]2CC[NH2+]C2)nn1)C1CC1 ZINC000641220887 357681169 /nfs/dbraw/zinc/68/11/69/357681169.db2.gz CPHOUCSXMXKLPH-BXUZGUMPSA-N 2 0 279.388 -0.115 20 0 CBADRP C[N@H+](C[C@H](O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1)C1CC1 ZINC000641220888 357681789 /nfs/dbraw/zinc/68/17/89/357681789.db2.gz CPHOUCSXMXKLPH-FZMZJTMJSA-N 2 0 279.388 -0.115 20 0 CBADRP COCC[C@H]([NH3+])Cc1cn(C[C@@H](O)C[N@H+](C)C(C)C)nn1 ZINC000641220756 357681870 /nfs/dbraw/zinc/68/18/70/357681870.db2.gz FHWHPEVMPQJNQF-JSGCOSHPSA-N 2 0 299.419 -0.115 20 0 CBADRP CC(C)[N@H+](C)C[C@H](O)Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000641220771 357681934 /nfs/dbraw/zinc/68/19/34/357681934.db2.gz FJYFZPDMIHLEGD-AWEZNQCLSA-N 2 0 296.419 -0.616 20 0 CBADRP C[C@H]([NH3+])CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000641412965 357702010 /nfs/dbraw/zinc/70/20/10/357702010.db2.gz CQFDWPOTILWHFZ-NSHDSACASA-N 3 0 259.398 -0.532 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000641423954 357704098 /nfs/dbraw/zinc/70/40/98/357704098.db2.gz FWPFITZFJXZILM-GFCCVEGCSA-N 2 0 299.419 -0.471 20 0 CBADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCCS(N)(=O)=O ZINC000641797011 357743307 /nfs/dbraw/zinc/74/33/07/357743307.db2.gz PIGILMPMGSOVBP-SNVBAGLBSA-N 2 0 251.396 -0.030 20 0 CBADRP CN(C)S(=O)(=O)CCC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802440 357744353 /nfs/dbraw/zinc/74/43/53/357744353.db2.gz KWOGFTOCIIQQOI-NXEZZACHSA-N 2 0 263.407 -0.017 20 0 CBADRP NS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000641818446 357744854 /nfs/dbraw/zinc/74/48/54/357744854.db2.gz FJQFBBZDWSSNLQ-QWRGUYRKSA-N 2 0 261.391 -0.274 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C)C(C)(C)C1 ZINC000641824479 357746607 /nfs/dbraw/zinc/74/66/07/357746607.db2.gz JWAMTFZCPQFNIA-GFCCVEGCSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000641909908 357748665 /nfs/dbraw/zinc/74/86/65/357748665.db2.gz JKOIYNACFSFWPK-GDNZZTSVSA-N 2 0 282.388 -0.698 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000641995208 357749022 /nfs/dbraw/zinc/74/90/22/357749022.db2.gz BYEUEOIMWGMYDC-MGPQQGTHSA-N 2 0 295.431 -0.232 20 0 CBADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)CC[C@H]1CCCO1 ZINC000643089370 357776322 /nfs/dbraw/zinc/77/63/22/357776322.db2.gz RCHVDHOWUVTJAL-GFCCVEGCSA-N 2 0 293.433 -0.115 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642114147 357750858 /nfs/dbraw/zinc/75/08/58/357750858.db2.gz DDNIWYFBGJQYRE-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000642300789 357752281 /nfs/dbraw/zinc/75/22/81/357752281.db2.gz XGVFTHSMHXXXPG-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000642298199 357752570 /nfs/dbraw/zinc/75/25/70/357752570.db2.gz NVOZIHJAIBKBEA-LLVKDONJSA-N 2 0 270.377 -0.558 20 0 CBADRP C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642330414 357753255 /nfs/dbraw/zinc/75/32/55/357753255.db2.gz GHRZFRIDMJURJN-ZDEQEGDKSA-N 2 0 298.431 -0.068 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000642439317 357754420 /nfs/dbraw/zinc/75/44/20/357754420.db2.gz BHDSELJRCGFZSJ-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000642439563 357755357 /nfs/dbraw/zinc/75/53/57/357755357.db2.gz MCKAZWPGZUHHQP-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC000642439427 357755486 /nfs/dbraw/zinc/75/54/86/357755486.db2.gz GSRWKYXDQLWOFF-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000642439399 357755558 /nfs/dbraw/zinc/75/55/58/357755558.db2.gz FODVLFBSAGHPTJ-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000642440013 357755608 /nfs/dbraw/zinc/75/56/08/357755608.db2.gz VSROLPMGRJAMHV-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])C1 ZINC000642640204 357757117 /nfs/dbraw/zinc/75/71/17/357757117.db2.gz OTBZRMDSQYUITL-QWHCGFSZSA-N 2 0 298.431 -0.066 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCC1 ZINC000642698733 357758855 /nfs/dbraw/zinc/75/88/55/357758855.db2.gz JXJRLIZVIZETPQ-NEPJUHHUSA-N 2 0 294.399 -0.593 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000642718690 357759687 /nfs/dbraw/zinc/75/96/87/357759687.db2.gz HHELTBONFWNCJD-NQBHXWOUSA-N 2 0 294.399 -0.594 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000642732689 357760188 /nfs/dbraw/zinc/76/01/88/357760188.db2.gz QERXACWOGBPTSU-AVGNSLFASA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000642732692 357760473 /nfs/dbraw/zinc/76/04/73/357760473.db2.gz QERXACWOGBPTSU-XQQFMLRXSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@@H](NC(=O)C(=O)NC[C@H](C)[NH3+])C(C)(C)C[NH+](C)C ZINC000642762281 357760989 /nfs/dbraw/zinc/76/09/89/357760989.db2.gz CDYHHNQISLVDSI-VHSXEESVSA-N 2 0 272.393 -0.458 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCC[NH2+]C1CC1)C1CC1 ZINC000642756022 357761321 /nfs/dbraw/zinc/76/13/21/357761321.db2.gz DDEPMAFCUKUIEC-UHFFFAOYSA-N 2 0 282.388 -0.545 20 0 CBADRP [NH3+][C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000642785842 357762514 /nfs/dbraw/zinc/76/25/14/357762514.db2.gz MSNWDOWVSBVUAS-CHWSQXEVSA-N 2 0 294.399 -0.560 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000642785654 357762536 /nfs/dbraw/zinc/76/25/36/357762536.db2.gz BGZYXDYABOVZHF-DGCLKSJQSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000642785780 357762543 /nfs/dbraw/zinc/76/25/43/357762543.db2.gz JPGZPRAGDRUCLL-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC[NH2+]1 ZINC000642785864 357762597 /nfs/dbraw/zinc/76/25/97/357762597.db2.gz OLRKOBNEAAFYMP-WCQYABFASA-N 2 0 294.399 -0.593 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000642785659 357762728 /nfs/dbraw/zinc/76/27/28/357762728.db2.gz BWYCHDRDYUOSHP-STQMWFEESA-N 2 0 294.399 -0.545 20 0 CBADRP [NH3+]C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000642785651 357762775 /nfs/dbraw/zinc/76/27/75/357762775.db2.gz AXYPCGJEWJNUGQ-STQMWFEESA-N 2 0 294.399 -0.560 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000642785690 357762795 /nfs/dbraw/zinc/76/27/95/357762795.db2.gz DKWDNCCFRQVODG-WCQYABFASA-N 2 0 294.399 -0.593 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642801229 357763959 /nfs/dbraw/zinc/76/39/59/357763959.db2.gz JSJLWUZBBIMBIO-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)C[NH+]1CCCC1 ZINC000642886818 357764655 /nfs/dbraw/zinc/76/46/55/357764655.db2.gz KXFLWBDSJZGUSL-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)C[NH+]1CCCC1 ZINC000642886817 357764953 /nfs/dbraw/zinc/76/49/53/357764953.db2.gz KXFLWBDSJZGUSL-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000642899018 357765551 /nfs/dbraw/zinc/76/55/51/357765551.db2.gz GHSDAGVEVOHUCJ-OLZOCXBDSA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000642899019 357765624 /nfs/dbraw/zinc/76/56/24/357765624.db2.gz GHSDAGVEVOHUCJ-QWHCGFSZSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000642904541 357766436 /nfs/dbraw/zinc/76/64/36/357766436.db2.gz YNMFRVGYPIOQOP-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000642909222 357767650 /nfs/dbraw/zinc/76/76/50/357767650.db2.gz IMMDOORIXYAJBT-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000642913912 357769438 /nfs/dbraw/zinc/76/94/38/357769438.db2.gz RVFGARAOSGOULV-LBPRGKRZSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000642924609 357771172 /nfs/dbraw/zinc/77/11/72/357771172.db2.gz UYAAAWHXMXVFET-JTQLQIEISA-N 2 0 268.361 -0.937 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000642951334 357772258 /nfs/dbraw/zinc/77/22/58/357772258.db2.gz NQEUYBNOXHJIMJ-NEPJUHHUSA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000642940930 357772686 /nfs/dbraw/zinc/77/26/86/357772686.db2.gz IMKZRCARHDXNFI-VXGBXAGGSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000642961145 357773197 /nfs/dbraw/zinc/77/31/97/357773197.db2.gz QBTRAEBUKGVTOR-STQMWFEESA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000642965597 357773756 /nfs/dbraw/zinc/77/37/56/357773756.db2.gz RPEWIUBULDVRMJ-NSHDSACASA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000643592638 357791449 /nfs/dbraw/zinc/79/14/49/357791449.db2.gz RRPARDAHDQBPEV-VXGBXAGGSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000643460860 357783396 /nfs/dbraw/zinc/78/33/96/357783396.db2.gz QGLYYGQPLQWJNT-QWRGUYRKSA-N 2 0 263.407 -0.002 20 0 CBADRP C[N@@H+]1CC[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)[C@H]2CCC[C@@H]21 ZINC000643500303 357785905 /nfs/dbraw/zinc/78/59/05/357785905.db2.gz ABLSHPYCSJADGW-RDBSUJKOSA-N 3 0 280.416 -0.119 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000643505816 357785960 /nfs/dbraw/zinc/78/59/60/357785960.db2.gz ZQOZESYDGBUYFF-FRRDWIJNSA-N 2 0 294.399 -0.783 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000643553664 357788375 /nfs/dbraw/zinc/78/83/75/357788375.db2.gz LGEYLYVSHFRGIX-VXGBXAGGSA-N 2 0 282.388 -0.465 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000643553656 357788742 /nfs/dbraw/zinc/78/87/42/357788742.db2.gz LEJVPVHOQZMRCS-OLZOCXBDSA-N 2 0 296.415 -0.204 20 0 CBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000643581007 357788832 /nfs/dbraw/zinc/78/88/32/357788832.db2.gz QBGUNSTVSNVVOY-UHFFFAOYSA-N 2 0 296.415 -0.249 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000643553662 357789034 /nfs/dbraw/zinc/78/90/34/357789034.db2.gz LGEYLYVSHFRGIX-NWDGAFQWSA-N 2 0 282.388 -0.465 20 0 CBADRP CNC(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105915570 283313201 /nfs/dbraw/zinc/31/32/01/283313201.db2.gz BFDDDGZWGBAPGI-NSHDSACASA-N 2 0 257.378 -0.243 20 0 CBADRP CNC(=O)NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200024 283352842 /nfs/dbraw/zinc/35/28/42/283352842.db2.gz YEWCQKXBHSRBRM-LLVKDONJSA-N 2 0 268.361 -0.094 20 0 CBADRP CNC(=O)[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298878 283388369 /nfs/dbraw/zinc/38/83/69/283388369.db2.gz BJOBPSZDTRWWRU-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000373891193 291190440 /nfs/dbraw/zinc/19/04/40/291190440.db2.gz HKBSCXCMUUSZAC-SCZZXKLOSA-N 2 0 263.345 -0.074 20 0 CBADRP C[NH2+]CCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000375833620 283504049 /nfs/dbraw/zinc/50/40/49/283504049.db2.gz ISHJCJVSRRYOPN-NEPJUHHUSA-N 2 0 255.362 -0.347 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000419432681 283528506 /nfs/dbraw/zinc/52/85/06/283528506.db2.gz YPQKXNJDWVECGL-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)CC(N)=O)CC1 ZINC000341966943 216171172 /nfs/dbraw/zinc/17/11/72/216171172.db2.gz MOWBRCBVGUORKK-LBPRGKRZSA-N 2 0 256.394 -0.133 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372098922 283575198 /nfs/dbraw/zinc/57/51/98/283575198.db2.gz OZDZGICOHNNNSV-AVGNSLFASA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)[N@H+](C)C1CC1 ZINC000342092034 216214756 /nfs/dbraw/zinc/21/47/56/216214756.db2.gz VSNZSOFGDCVYMU-LLVKDONJSA-N 2 0 284.404 -0.395 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529388444 283612712 /nfs/dbraw/zinc/61/27/12/283612712.db2.gz ONRQIWNAHBNNNQ-NWDGAFQWSA-N 2 0 270.377 -0.242 20 0 CBADRP C[C@H]1[C@@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC[N@@H+]1C ZINC000419556632 291284808 /nfs/dbraw/zinc/28/48/08/291284808.db2.gz KWTYMLIQUNYINT-RVMXOQNASA-N 2 0 294.399 -0.737 20 0 CBADRP C[C@H]1[C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)CCC[N@@H+]1C ZINC000419562611 291285093 /nfs/dbraw/zinc/28/50/93/291285093.db2.gz VIRYKIAQZHASQR-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@]1(CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[NH2+]C1 ZINC000514949307 291380425 /nfs/dbraw/zinc/38/04/25/291380425.db2.gz DKQTYRGGPKOFKQ-LOWVWBTDSA-N 2 0 252.362 -0.770 20 0 CBADRP C[C@]1(CNC(=O)NCCN2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000418293254 291385244 /nfs/dbraw/zinc/38/52/44/291385244.db2.gz FFDJIWOZHFVRTE-AWEZNQCLSA-N 2 0 283.420 -0.420 20 0 CBADRP CCC[C@](C)([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000353589342 284004193 /nfs/dbraw/zinc/00/41/93/284004193.db2.gz MDYKARZQBRRKPO-FZMZJTMJSA-N 2 0 284.404 -0.040 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC([C@@H](C)[NH3+])CC2)C1 ZINC000574192175 334999437 /nfs/dbraw/zinc/99/94/37/334999437.db2.gz URYPNDLYXRLMQA-ADEWGFFLSA-N 2 0 255.362 -0.051 20 0 CBADRP O=C([C@H]1CC[NH2+]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000444172658 296123762 /nfs/dbraw/zinc/12/37/62/296123762.db2.gz ZOYGQYUFZPTKPY-CYBMUJFWSA-N 2 0 267.373 -0.081 20 0 CBADRP O=C([C@H]1CC[NH2+]1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000444166347 296123917 /nfs/dbraw/zinc/12/39/17/296123917.db2.gz BDSULQJZBXFGSR-CHWSQXEVSA-N 2 0 267.373 -0.081 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000574270286 335005396 /nfs/dbraw/zinc/00/53/96/335005396.db2.gz AMURHWWHFYDZBI-WHOHXGKFSA-N 2 0 253.346 -0.284 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000574318281 335009712 /nfs/dbraw/zinc/00/97/12/335009712.db2.gz HUBLEAGXLBRALX-LBPRGKRZSA-N 2 0 282.388 -0.734 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000574340145 335012467 /nfs/dbraw/zinc/01/24/67/335012467.db2.gz WFKVYGLXVOIFGR-WYUUTHIRSA-N 2 0 280.372 -0.855 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000333132205 205055073 /nfs/dbraw/zinc/05/50/73/205055073.db2.gz BWKQDYMDSGSMQF-JSGCOSHPSA-N 2 0 295.431 -0.327 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000068807578 372765252 /nfs/dbraw/zinc/76/52/52/372765252.db2.gz OSDRIHLIJDDXQM-JSGCOSHPSA-N 2 0 268.405 -0.262 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000020521321 372757902 /nfs/dbraw/zinc/75/79/02/372757902.db2.gz GWTOULBEDIKDCG-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP CC[C@@]1(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CCC[NH2+]1 ZINC000122160320 372792608 /nfs/dbraw/zinc/79/26/08/372792608.db2.gz FUUSCTCJMWCLAO-JSGCOSHPSA-N 2 0 268.405 -0.119 20 0 CBADRP CNC(=O)NC(=O)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000118843219 372793418 /nfs/dbraw/zinc/79/34/18/372793418.db2.gz DOWXNSVRVHRNEX-JTQLQIEISA-N 2 0 256.350 -0.284 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)O1 ZINC000094570983 372776506 /nfs/dbraw/zinc/77/65/06/372776506.db2.gz FGSSYTLYDMBKHK-JLLWLGSASA-N 2 0 253.346 -0.154 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000353428767 220077520 /nfs/dbraw/zinc/07/75/20/220077520.db2.gz SUTQDMPDUPFDGN-ZIAGYGMSSA-N 2 0 280.416 -0.308 20 0 CBADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000131762306 372798140 /nfs/dbraw/zinc/79/81/40/372798140.db2.gz PRZOKYDPGAKIFI-VHSXEESVSA-N 2 0 268.361 -0.014 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000353432987 220081151 /nfs/dbraw/zinc/08/11/51/220081151.db2.gz SRQAJFZNAHACQM-KOLCDFICSA-N 2 0 261.391 -0.486 20 0 CBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000158207463 372812578 /nfs/dbraw/zinc/81/25/78/372812578.db2.gz WPJFPYYDXSUODB-SWLSCSKDSA-N 2 0 298.431 -0.114 20 0 CBADRP CNC(=O)NC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174720982 372833081 /nfs/dbraw/zinc/83/30/81/372833081.db2.gz HAXJCKNEQWJXMW-UHFFFAOYSA-N 2 0 285.392 -0.989 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](C[NH3+])OC ZINC000353463452 220099240 /nfs/dbraw/zinc/09/92/40/220099240.db2.gz VMKZGSCCTQVZBF-WDEREUQCSA-N 2 0 261.366 -0.567 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000220512244 372870828 /nfs/dbraw/zinc/87/08/28/372870828.db2.gz BKPAWZLPUASSOI-NEPJUHHUSA-N 2 0 254.378 -0.652 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000353460119 220095265 /nfs/dbraw/zinc/09/52/65/220095265.db2.gz NUTPNYPRBDKRLJ-CYBMUJFWSA-N 2 0 265.357 -0.010 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC[C@@H](C)[NH+](C)C)CC1 ZINC000344654123 217265082 /nfs/dbraw/zinc/26/50/82/217265082.db2.gz KXMBMNGQCMFWDB-GFCCVEGCSA-N 2 0 256.394 -0.310 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000353476973 220104713 /nfs/dbraw/zinc/10/47/13/220104713.db2.gz ZUFYENWNBCBTHB-LBPRGKRZSA-N 2 0 251.330 -0.052 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245947517 372883688 /nfs/dbraw/zinc/88/36/88/372883688.db2.gz XHEPWOJSWKLJRB-CHWSQXEVSA-N 2 0 268.405 -0.038 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000333358052 205249516 /nfs/dbraw/zinc/24/95/16/205249516.db2.gz KPAWSPRWNXPPPM-UPJWGTAASA-N 2 0 282.388 -0.290 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000333399267 205287500 /nfs/dbraw/zinc/28/75/00/205287500.db2.gz PSXLHODEYUNWFB-RYUDHWBXSA-N 2 0 270.377 -0.242 20 0 CBADRP C[C@H](CC(N)=O)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000304711075 372967407 /nfs/dbraw/zinc/96/74/07/372967407.db2.gz LXEZJGACNQMLDW-VXGBXAGGSA-N 2 0 257.378 -0.067 20 0 CBADRP O[C@@H](CNCC[NH+]1CCC(O)CC1)C[NH+]1CCCC1 ZINC000321414578 372969016 /nfs/dbraw/zinc/96/90/16/372969016.db2.gz USZSBGNFANGLKV-AWEZNQCLSA-N 2 0 271.405 -0.511 20 0 CBADRP CC[N@H+](C)C[C@@H](O)Cn1cc(CN(C)CCC[NH3+])nn1 ZINC000328015114 372972873 /nfs/dbraw/zinc/97/28/73/372972873.db2.gz QXXVAKZUDMQRSM-CYBMUJFWSA-N 2 0 284.408 -0.629 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NCCCC[NH+]1CCOCC1 ZINC000353522983 220134980 /nfs/dbraw/zinc/13/49/80/220134980.db2.gz PSTCFLMLJWESRK-LLVKDONJSA-N 2 0 259.350 -0.811 20 0 CBADRP CNC(=O)NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000331558424 372996381 /nfs/dbraw/zinc/99/63/81/372996381.db2.gz GGBQXIYAIMVTRU-JTQLQIEISA-N 2 0 268.361 -0.094 20 0 CBADRP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332203243 373002857 /nfs/dbraw/zinc/00/28/57/373002857.db2.gz DKRBLBJGSWTNBR-NWDGAFQWSA-N 2 0 280.372 -0.757 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)[C@@H](C)C[NH2+]1 ZINC000333481150 373011598 /nfs/dbraw/zinc/01/15/98/373011598.db2.gz CCRSSUPSXVWPIA-GRYCIOLGSA-N 2 0 270.377 -0.243 20 0 CBADRP O=C(NCC[NH+]1CCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000344744871 217297950 /nfs/dbraw/zinc/29/79/50/217297950.db2.gz TULASIKVIUBNLK-GFCCVEGCSA-N 2 0 252.362 -0.802 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[N@@H+]1C1CC1 ZINC000333136886 373008253 /nfs/dbraw/zinc/00/82/53/373008253.db2.gz CMBWOBWILPHKJS-LFSVMHDDSA-N 2 0 282.388 -0.414 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000340268830 373039719 /nfs/dbraw/zinc/03/97/19/373039719.db2.gz UJESEVGRALSWGU-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333949256 373012831 /nfs/dbraw/zinc/01/28/31/373012831.db2.gz XCDORWGQNQCLDR-UONOGXRCSA-N 2 0 295.431 -0.230 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000342594519 373046272 /nfs/dbraw/zinc/04/62/72/373046272.db2.gz ZPVNOQGDKZOKNA-FRRDWIJNSA-N 2 0 268.405 -0.454 20 0 CBADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000349025592 373086471 /nfs/dbraw/zinc/08/64/71/373086471.db2.gz ICVFLKWFBYZILV-ZYHUDNBSSA-N 2 0 255.362 -0.001 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)C[NH+](C)C)C1 ZINC000353553271 220153252 /nfs/dbraw/zinc/15/32/52/220153252.db2.gz QURMMSWGPDIBEB-NEPJUHHUSA-N 2 0 272.393 -0.044 20 0 CBADRP CC(C)[N@H+](C)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351558711 373097898 /nfs/dbraw/zinc/09/78/98/373097898.db2.gz SFMMPPDWYLOHLW-LLVKDONJSA-N 2 0 270.377 -0.689 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCSC)C1 ZINC000353581241 220172871 /nfs/dbraw/zinc/17/28/71/220172871.db2.gz NJKDIMSOWOEYBI-QWRGUYRKSA-N 2 0 275.418 -0.096 20 0 CBADRP COCC[NH+]1CCC(NC[C@H](O)C[NH+](C)C)CC1 ZINC000361209729 373268099 /nfs/dbraw/zinc/26/80/99/373268099.db2.gz VGLPHZCNGDEHIN-ZDUSSCGKSA-N 2 0 259.394 -0.391 20 0 CBADRP CCC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000353585568 220174606 /nfs/dbraw/zinc/17/46/06/220174606.db2.gz AOWSECBCHCEWIW-GHMZBOCLSA-N 2 0 270.377 -0.430 20 0 CBADRP O=C1CCCN1CC[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000362841239 373451910 /nfs/dbraw/zinc/45/19/10/373451910.db2.gz VPIGXNHMCSMIMZ-CYBMUJFWSA-N 2 0 294.399 -0.495 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000363738907 373505611 /nfs/dbraw/zinc/50/56/11/373505611.db2.gz IICOHXHVJMQKJX-YPMHNXCESA-N 2 0 255.362 -0.320 20 0 CBADRP NC(=O)CN1CCCN(c2ncnc3[nH]ccc32)CC1 ZINC000364104304 373519221 /nfs/dbraw/zinc/51/92/21/373519221.db2.gz RUYPAVPNLMXTDE-UHFFFAOYSA-N 2 0 274.328 -0.045 20 0 CBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000365334680 373523902 /nfs/dbraw/zinc/52/39/02/373523902.db2.gz RQEHBQOXBRMMRV-WPRPVWTQSA-N 2 0 263.345 -0.217 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH2+]CC1 ZINC000394314212 373580762 /nfs/dbraw/zinc/58/07/62/373580762.db2.gz RKDNGJZTVGIWPQ-OLZOCXBDSA-N 2 0 294.399 -0.497 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399020666 373583840 /nfs/dbraw/zinc/58/38/40/373583840.db2.gz HYBQESNMEVCBCW-NWDGAFQWSA-N 2 0 254.378 -0.524 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[NH+](C)C ZINC000367700648 373537922 /nfs/dbraw/zinc/53/79/22/373537922.db2.gz WTWCYCPSVMXNJJ-QWHCGFSZSA-N 2 0 268.405 -0.167 20 0 CBADRP C[NH+]1CCC2(CCC[N@H+](CC(=O)NC(N)=O)C2)CC1 ZINC000374155512 373561578 /nfs/dbraw/zinc/56/15/78/373561578.db2.gz BIBXBPDRCZAFHS-UHFFFAOYSA-N 2 0 268.361 -0.011 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000417438625 373627746 /nfs/dbraw/zinc/62/77/46/373627746.db2.gz JXRXCKIWDCOQIG-NSHDSACASA-N 2 0 258.366 -0.432 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417442549 373628172 /nfs/dbraw/zinc/62/81/72/373628172.db2.gz VBNDEMPBFFWZND-AWEZNQCLSA-N 2 0 284.404 -0.040 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417437000 373628586 /nfs/dbraw/zinc/62/85/86/373628586.db2.gz GAUYMIZFVYIXDL-OLZOCXBDSA-N 2 0 284.404 -0.185 20 0 CBADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)C[C@H](C)[N@H+]1CCO ZINC000418378876 373631034 /nfs/dbraw/zinc/63/10/34/373631034.db2.gz JWBKSMLLUGJQPG-GRYCIOLGSA-N 2 0 270.377 -0.555 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000418305834 373631501 /nfs/dbraw/zinc/63/15/01/373631501.db2.gz PEOXRGJOTVLBRM-CHWSQXEVSA-N 2 0 283.420 -0.197 20 0 CBADRP [NH3+]C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000418405948 373631669 /nfs/dbraw/zinc/63/16/69/373631669.db2.gz RTNDMBUQXPXNSB-STQMWFEESA-N 2 0 284.404 -0.130 20 0 CBADRP COC[C@@]1(CNC(=O)N2CCC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000418631207 373633166 /nfs/dbraw/zinc/63/31/66/373633166.db2.gz GMYOKBSQGHTCCK-YPMHNXCESA-N 2 0 270.377 -0.112 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000418708951 373633654 /nfs/dbraw/zinc/63/36/54/373633654.db2.gz UOJLMFFCZNIFSH-WRWGMCAJSA-N 2 0 272.393 -0.181 20 0 CBADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000418649092 373633872 /nfs/dbraw/zinc/63/38/72/373633872.db2.gz VQHNILICUSICSK-QJPTWQEYSA-N 2 0 284.404 -0.356 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000419147156 373635483 /nfs/dbraw/zinc/63/54/83/373635483.db2.gz BRJHIJBABQVDGE-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418758245 373635744 /nfs/dbraw/zinc/63/57/44/373635744.db2.gz FISCHDBSMHYBCB-SRVKXCTJSA-N 2 0 270.377 -0.114 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419032398 373635961 /nfs/dbraw/zinc/63/59/61/373635961.db2.gz WMQLSZWONGXIHN-AVGNSLFASA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)(CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000418843047 373636018 /nfs/dbraw/zinc/63/60/18/373636018.db2.gz RBPDIRXLNRPGGI-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419135328 373636225 /nfs/dbraw/zinc/63/62/25/373636225.db2.gz LCQWDNVJMFRGKD-GRYCIOLGSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419428880 373638291 /nfs/dbraw/zinc/63/82/91/373638291.db2.gz UCCMAUIFCFXCQF-AAEUAGOBSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])CCC2)C[N@@H+]1C1CC1 ZINC000419324556 373638445 /nfs/dbraw/zinc/63/84/45/373638445.db2.gz VRQAZFBAGZQEMT-MNOVXSKESA-N 2 0 294.399 -0.275 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419415099 373638490 /nfs/dbraw/zinc/63/84/90/373638490.db2.gz FUAJRLZFTCBJDR-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000419775212 373641611 /nfs/dbraw/zinc/64/16/11/373641611.db2.gz KSJPGVHLBXIJCT-JTQLQIEISA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419887564 373643854 /nfs/dbraw/zinc/64/38/54/373643854.db2.gz QPPNKEBWVFSVRR-XQQFMLRXSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)C(C)C ZINC000420103305 373648492 /nfs/dbraw/zinc/64/84/92/373648492.db2.gz PGIKMFMWANTQAD-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H]1CCN(C(=O)C(=O)N(C)CC[NH+](C)C)C[C@H]1C[NH3+] ZINC000423057751 373656647 /nfs/dbraw/zinc/65/66/47/373656647.db2.gz ANWFUYUEEXILHD-VXGBXAGGSA-N 2 0 284.404 -0.550 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000424153893 373665021 /nfs/dbraw/zinc/66/50/21/373665021.db2.gz LVNVBJHSLNZIED-YVECIDJPSA-N 2 0 294.399 -0.560 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]CCO3)CC[C@H]21 ZINC000424170271 373666209 /nfs/dbraw/zinc/66/62/09/373666209.db2.gz JBXUQKHZQSYAQT-YNEHKIRRSA-N 2 0 267.373 -0.083 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C2CC2)C1 ZINC000427472898 373669123 /nfs/dbraw/zinc/66/91/23/373669123.db2.gz SUJGKOZEPBYRLN-JSGCOSHPSA-N 2 0 267.373 -0.204 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000449699540 373688531 /nfs/dbraw/zinc/68/85/31/373688531.db2.gz QCWQEEVRQXYJER-AAEUAGOBSA-N 2 0 254.378 -0.462 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000493766424 373729122 /nfs/dbraw/zinc/72/91/22/373729122.db2.gz JIZUTZMODSVVBV-GARJFASQSA-N 2 0 270.377 -0.574 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000514673724 373759269 /nfs/dbraw/zinc/75/92/69/373759269.db2.gz JLWXPRZZIOJICD-KOLCDFICSA-N 2 0 270.377 -0.657 20 0 CBADRP CC1(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC[NH2+]CC1 ZINC000514790628 373765599 /nfs/dbraw/zinc/76/55/99/373765599.db2.gz HMYRHKRYHNTOFI-LLVKDONJSA-N 2 0 292.387 -0.098 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(CCOCC(F)(F)F)CCN2C1=O ZINC000515071606 373776651 /nfs/dbraw/zinc/77/66/51/373776651.db2.gz BBSCOHBDIZVHLJ-RKDXNWHRSA-N 2 0 281.278 -0.191 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000515224660 373779703 /nfs/dbraw/zinc/77/97/03/373779703.db2.gz WYSMKDYLTXDPPL-WXHSDQCUSA-N 2 0 294.399 -0.465 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000515302452 373781468 /nfs/dbraw/zinc/78/14/68/373781468.db2.gz UXBBQYFJWQVWBS-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP O=C(CNC(=O)C1CC[NH+](C2CC2)CC1)N1CC[NH2+]CC1 ZINC000515483399 373788408 /nfs/dbraw/zinc/78/84/08/373788408.db2.gz DMXGXGVQMIREAR-UHFFFAOYSA-N 2 0 294.399 -0.591 20 0 CBADRP C[C@@H]1CN(CC[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CCO1 ZINC000515846087 373797837 /nfs/dbraw/zinc/79/78/37/373797837.db2.gz CDQFDVVYCQRZID-ZIAGYGMSSA-N 2 0 298.431 -0.506 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000524466079 373885783 /nfs/dbraw/zinc/88/57/83/373885783.db2.gz NXOOOGUSRZDAPK-OCCSQVGLSA-N 2 0 295.431 -0.232 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC[NH+]1CC=CCC1 ZINC000525990027 373892981 /nfs/dbraw/zinc/89/29/81/373892981.db2.gz GJKQPPGJQWIMCN-AWEZNQCLSA-N 2 0 295.431 -0.207 20 0 CBADRP CCO[C@H]1C[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000521427791 373841175 /nfs/dbraw/zinc/84/11/75/373841175.db2.gz UBTNYUACQWTMQQ-MCIONIFRSA-N 2 0 271.405 -0.248 20 0 CBADRP CN1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000521986468 373853843 /nfs/dbraw/zinc/85/38/43/373853843.db2.gz HFWGIHKHBYPKQO-JSGCOSHPSA-N 2 0 283.420 -0.340 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000521986556 373854009 /nfs/dbraw/zinc/85/40/09/373854009.db2.gz LNVUHBLYANQEMA-MNOVXSKESA-N 2 0 282.388 -0.689 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000522102671 373860364 /nfs/dbraw/zinc/86/03/64/373860364.db2.gz RJPGIHHWAWBYHK-UONOGXRCSA-N 2 0 297.447 -0.127 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000522138504 373862282 /nfs/dbraw/zinc/86/22/82/373862282.db2.gz UQVJJQVXSDGCCS-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@@H]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)C[C@H]1C[NH3+] ZINC000529385811 374024318 /nfs/dbraw/zinc/02/43/18/374024318.db2.gz HNBSGUCQAQUFPR-IJLUTSLNSA-N 2 0 270.377 -0.399 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000529297264 374000233 /nfs/dbraw/zinc/00/02/33/374000233.db2.gz HWNCBEVPGCCXQM-AGIUHOORSA-N 2 0 282.388 -0.099 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)NC[C@H]1COCC[NH2+]1 ZINC000529328804 374002189 /nfs/dbraw/zinc/00/21/89/374002189.db2.gz HFXAKAWGBUTPAE-NSHDSACASA-N 2 0 256.350 -0.726 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]C1)NC[C@H]1COCC[NH2+]1 ZINC000529334090 374004546 /nfs/dbraw/zinc/00/45/46/374004546.db2.gz UHXOMMFNNGAACW-MNOVXSKESA-N 2 0 256.350 -0.726 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529340491 374006549 /nfs/dbraw/zinc/00/65/49/374006549.db2.gz PBIZDFUJYGBAJT-NEPJUHHUSA-N 2 0 281.404 -0.526 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@H]1CC12CC[NH2+]CC2 ZINC000529338965 374007169 /nfs/dbraw/zinc/00/71/69/374007169.db2.gz BLSXWXRPOJHKIC-QWRGUYRKSA-N 2 0 268.361 -0.584 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529341636 374007375 /nfs/dbraw/zinc/00/73/75/374007375.db2.gz JXOQSTGPYBQFTP-VXGBXAGGSA-N 2 0 282.388 -0.051 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000529343207 374009341 /nfs/dbraw/zinc/00/93/41/374009341.db2.gz VTABKPXCNCBDKA-MNOVXSKESA-N 2 0 270.377 -0.209 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000529384621 374024327 /nfs/dbraw/zinc/02/43/27/374024327.db2.gz DEIKHSDVVXQQPF-TUAOUCFPSA-N 2 0 268.361 -0.632 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529354182 374009988 /nfs/dbraw/zinc/00/99/88/374009988.db2.gz JUEQARZSUSBKFB-DGCLKSJQSA-N 2 0 282.388 -0.363 20 0 CBADRP C[C@@]1(C[NH3+])CCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529387846 374023653 /nfs/dbraw/zinc/02/36/53/374023653.db2.gz MSGOYUSNJXQCDH-PWSUYJOCSA-N 2 0 256.350 -0.645 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000529373504 374012478 /nfs/dbraw/zinc/01/24/78/374012478.db2.gz FBBAPCJKPUYHBT-OLZOCXBDSA-N 2 0 282.388 -0.146 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000529373569 374015560 /nfs/dbraw/zinc/01/55/60/374015560.db2.gz HAIKPAKUWKZPBA-QWHCGFSZSA-N 2 0 280.372 -0.370 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529376355 374017253 /nfs/dbraw/zinc/01/72/53/374017253.db2.gz BZNOKDXKTZIWNV-RYUDHWBXSA-N 2 0 270.377 -0.290 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529378561 374020645 /nfs/dbraw/zinc/02/06/45/374020645.db2.gz IYQPSEMANKPNEA-OLZOCXBDSA-N 2 0 284.404 -0.042 20 0 CBADRP [NH3+]CCC1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529385025 374024669 /nfs/dbraw/zinc/02/46/69/374024669.db2.gz FYQVHYWHLSCPLE-GFCCVEGCSA-N 2 0 270.377 -0.255 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529388443 374027285 /nfs/dbraw/zinc/02/72/85/374027285.db2.gz ONRQIWNAHBNNNQ-NEPJUHHUSA-N 2 0 270.377 -0.242 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1CCC(=O)N1CC[NH2+]CC1 ZINC000530228975 374069544 /nfs/dbraw/zinc/06/95/44/374069544.db2.gz JQTAGPYYIPXTSE-ZDUSSCGKSA-N 2 0 268.405 -0.262 20 0 CBADRP O=C(N1CC[NH2+]CC1)N1CCN(C[C@]23C[C@H]2C[NH2+]C3)CC1 ZINC000530241692 374069692 /nfs/dbraw/zinc/06/96/92/374069692.db2.gz HQTBSSLQNBRUTF-DZGCQCFKSA-N 2 0 293.415 -0.761 20 0 CBADRP C[C@]1(CN2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[NH2+]C1 ZINC000530243466 374069808 /nfs/dbraw/zinc/06/98/08/374069808.db2.gz RCLQLXXAOILNKL-HNNXBMFYSA-N 2 0 295.431 -0.371 20 0 CBADRP O=C(NCCN1CCOCC1)NCC[N@H+]1CC=CCC1 ZINC000530526684 374085325 /nfs/dbraw/zinc/08/53/25/374085325.db2.gz LCHLBWMBJIEKNK-UHFFFAOYSA-N 2 0 282.388 -0.120 20 0 CBADRP CO[C@H](C)CS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000555951291 374299226 /nfs/dbraw/zinc/29/92/26/374299226.db2.gz GKKGHPFJUKPJKQ-GFCCVEGCSA-N 2 0 295.449 -0.224 20 0 CBADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCC[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000562457008 374319515 /nfs/dbraw/zinc/31/95/15/374319515.db2.gz GMPMBNNQLUEQQX-MPZDIEGVSA-N 2 0 296.415 -0.395 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C[C@@H]3C[NH2+]CCO3)C[C@@H]21 ZINC000566561412 374330924 /nfs/dbraw/zinc/33/09/24/374330924.db2.gz YETKVQSKHSBRHH-FVCCEPFGSA-N 2 0 267.373 -0.049 20 0 CBADRP CCNC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000566855856 374332303 /nfs/dbraw/zinc/33/23/03/374332303.db2.gz FCFHXDWZGCIDHT-YPMHNXCESA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(CC[NH2+]C1CC1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000583273696 374358727 /nfs/dbraw/zinc/35/87/27/374358727.db2.gz YKFVGYMIJCVMSV-UHFFFAOYSA-N 2 0 279.348 -0.705 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000583493596 374363108 /nfs/dbraw/zinc/36/31/08/374363108.db2.gz KDBIBGOMPWBUOO-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP [NH3+]CCC1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000583760318 374366086 /nfs/dbraw/zinc/36/60/86/374366086.db2.gz NNINZWDRRVZEOW-GFCCVEGCSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CCN2C1=O ZINC000577964064 374346009 /nfs/dbraw/zinc/34/60/09/374346009.db2.gz XHWFZLYOZQOBRW-WHOHXGKFSA-N 2 0 280.372 -0.726 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000577948282 374347120 /nfs/dbraw/zinc/34/71/20/374347120.db2.gz VLNYRZMCLUSADG-XJFOESAGSA-N 2 0 253.390 -0.017 20 0 CBADRP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)N(C)CC(=O)OC)C1 ZINC000577953373 374347202 /nfs/dbraw/zinc/34/72/02/374347202.db2.gz LEMCQAATLKBRPU-GFCCVEGCSA-N 2 0 285.388 -0.061 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000578014189 374348634 /nfs/dbraw/zinc/34/86/34/374348634.db2.gz CHRPEJNYMQXDBX-YVECIDJPSA-N 2 0 267.373 -0.132 20 0 CBADRP CC[NH2+]CCCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000578011475 374349077 /nfs/dbraw/zinc/34/90/77/374349077.db2.gz PQDUMARXLBKAIB-NSHDSACASA-N 2 0 280.376 -0.241 20 0 CBADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000578063518 374350647 /nfs/dbraw/zinc/35/06/47/374350647.db2.gz CTSMTJYBULXXGF-OLZOCXBDSA-N 2 0 296.415 -0.168 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000606347540 374380037 /nfs/dbraw/zinc/38/00/37/374380037.db2.gz APKJZTGTFPGTEQ-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP C[NH+](C)CCNC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000643770524 374409630 /nfs/dbraw/zinc/40/96/30/374409630.db2.gz KLDAMFXQVCOMDA-JTQLQIEISA-N 2 0 256.350 -0.996 20 0 CBADRP [NH3+][C@H]1CCCCN(CC(=O)N2CC[NH+]3CCC2CC3)C1=O ZINC000643778971 374416650 /nfs/dbraw/zinc/41/66/50/374416650.db2.gz JNVOYABOCCDRJT-ZDUSSCGKSA-N 2 0 294.399 -0.367 20 0 CBADRP C[C@@H]1CCCN(C(=O)c2cn(CCC[NH3+])nn2)[C@H]1C[NH3+] ZINC000644063354 374482722 /nfs/dbraw/zinc/48/27/22/374482722.db2.gz RJLAQERXZHOLCK-PWSUYJOCSA-N 2 0 280.376 -0.174 20 0 CBADRP CO[C@@H]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000644106036 374489209 /nfs/dbraw/zinc/48/92/09/374489209.db2.gz JXHHYINJMDBTRQ-JHJVBQTASA-N 2 0 285.388 -0.280 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000644124080 374490757 /nfs/dbraw/zinc/49/07/57/374490757.db2.gz SHTXWOGNKRSNMN-AAEUAGOBSA-N 2 0 296.415 -0.170 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000644135831 374492168 /nfs/dbraw/zinc/49/21/68/374492168.db2.gz GNJLPLXZNGPLKC-NNYUYHANSA-N 2 0 255.362 -0.003 20 0 CBADRP COC[C@@]1(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC000644144763 374494111 /nfs/dbraw/zinc/49/41/11/374494111.db2.gz LZMVXLXLYWAHTB-SMDDNHRTSA-N 2 0 267.373 -0.129 20 0 CBADRP CN(C)CC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000644226684 374505305 /nfs/dbraw/zinc/50/53/05/374505305.db2.gz ASUZMDHXDCQAFW-TUAOUCFPSA-N 2 0 255.362 -0.348 20 0 CBADRP COCC[NH2+]CC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000645221441 374651667 /nfs/dbraw/zinc/65/16/67/374651667.db2.gz MVPVSIFQLMMURK-UHFFFAOYSA-N 2 0 278.356 -0.034 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)COCC[NH3+])cn1 ZINC000645803302 374700467 /nfs/dbraw/zinc/70/04/67/374700467.db2.gz OENKGVHDJHGHBY-UHFFFAOYSA-N 2 0 255.322 -0.642 20 0 CBADRP [NH3+]CCOCC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000646144089 374747472 /nfs/dbraw/zinc/74/74/72/374747472.db2.gz UVZIVHBBLYSPAT-UHFFFAOYSA-N 2 0 271.361 -0.715 20 0 CBADRP COC1CC[NH+](CCNC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000646180858 374750634 /nfs/dbraw/zinc/75/06/34/374750634.db2.gz GULQMWBFZGQROW-ZDUSSCGKSA-N 2 0 285.388 -0.408 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000646180785 374750712 /nfs/dbraw/zinc/75/07/12/374750712.db2.gz AZVJNMYIGWIPBB-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP C[N@@H+]1CCN(CCNC(=O)N[C@H]2CC[NH2+]C2)CC1(C)C ZINC000574533424 335027928 /nfs/dbraw/zinc/02/79/28/335027928.db2.gz JJKQKYVGCSWLIG-LBPRGKRZSA-N 2 0 283.420 -0.327 20 0 CBADRP CC(C)([NH3+])CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000645869608 374709776 /nfs/dbraw/zinc/70/97/76/374709776.db2.gz LTWVXTDMKXUCCW-LLVKDONJSA-N 2 0 284.404 -0.183 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000645947221 374717079 /nfs/dbraw/zinc/71/70/79/374717079.db2.gz FAPZTPBCABNLAV-AGIUHOORSA-N 2 0 268.405 -0.264 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000645947222 374717627 /nfs/dbraw/zinc/71/76/27/374717627.db2.gz FAPZTPBCABNLAV-FRRDWIJNSA-N 2 0 268.405 -0.264 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000645951648 374717637 /nfs/dbraw/zinc/71/76/37/374717637.db2.gz VEUJLCYBLUBCSL-GHMZBOCLSA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000646003032 374725456 /nfs/dbraw/zinc/72/54/56/374725456.db2.gz OGFIVRHDPYCLJQ-NWDGAFQWSA-N 2 0 254.378 -0.428 20 0 CBADRP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009605 374726575 /nfs/dbraw/zinc/72/65/75/374726575.db2.gz WUBYQWGQCKGXJG-OLZOCXBDSA-N 2 0 284.404 -0.754 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009583 374726609 /nfs/dbraw/zinc/72/66/09/374726609.db2.gz VMSMWESSEDXHBY-ZIAGYGMSSA-N 2 0 298.431 -0.364 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)CNC(=O)C[NH3+] ZINC000646012653 374727051 /nfs/dbraw/zinc/72/70/51/374727051.db2.gz VBNVKUUNGSNCNM-JTQLQIEISA-N 2 0 256.350 -0.948 20 0 CBADRP CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009607 374727658 /nfs/dbraw/zinc/72/76/58/374727658.db2.gz WUBYQWGQCKGXJG-STQMWFEESA-N 2 0 284.404 -0.754 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)CCOC1C[NH2+]C1 ZINC000646061852 374736342 /nfs/dbraw/zinc/73/63/42/374736342.db2.gz UORTVSGNIOQLNX-UHFFFAOYSA-N 2 0 298.431 -0.539 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000646077552 374738228 /nfs/dbraw/zinc/73/82/28/374738228.db2.gz WTKZZIXMQNCYNR-WISYIIOYSA-N 2 0 255.362 -0.038 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000646077549 374738689 /nfs/dbraw/zinc/73/86/89/374738689.db2.gz WTKZZIXMQNCYNR-FIQHERPVSA-N 2 0 255.362 -0.038 20 0 CBADRP C[NH+]1CCC2(CC1)CN([C@H]1CCNC1=O)CCO2 ZINC000646104452 374740475 /nfs/dbraw/zinc/74/04/75/374740475.db2.gz DIVWWYBIFGUKKC-NSHDSACASA-N 2 0 253.346 -0.329 20 0 CBADRP CN(C(=O)C[NH2+]C[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000646626767 374795343 /nfs/dbraw/zinc/79/53/43/374795343.db2.gz DHNACOGFYHUWEZ-LBPRGKRZSA-N 2 0 255.362 -0.035 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000646635598 374796426 /nfs/dbraw/zinc/79/64/26/374796426.db2.gz TUZYRNGAJNIIKY-KZWBYHQPSA-N 2 0 267.373 -0.003 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000646667148 374802101 /nfs/dbraw/zinc/80/21/01/374802101.db2.gz SMQXCWGMLVIAET-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000646667147 374802268 /nfs/dbraw/zinc/80/22/68/374802268.db2.gz SMQXCWGMLVIAET-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000646689333 374805028 /nfs/dbraw/zinc/80/50/28/374805028.db2.gz JVYDOUKWDKZWEC-LLVKDONJSA-N 2 0 270.377 -0.641 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CC[NH2+]C1 ZINC000646760521 374809689 /nfs/dbraw/zinc/80/96/89/374809689.db2.gz LCGSISUABIZQHC-GVXVVHGQSA-N 2 0 255.362 -0.192 20 0 CBADRP C[C@@H]1CCCN(C(=O)C[C@@H]2C[NH2+]CCO2)[C@H]1C[NH3+] ZINC000646771604 374811321 /nfs/dbraw/zinc/81/13/21/374811321.db2.gz YXMFUZYGGNPMIL-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(CCC[NH3+])C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000646783921 374812546 /nfs/dbraw/zinc/81/25/46/374812546.db2.gz POTRHXKWCMDOPO-JTQLQIEISA-N 2 0 256.350 -0.948 20 0 CBADRP [NH3+]Cc1ccc(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)o1 ZINC000646803585 374816957 /nfs/dbraw/zinc/81/69/57/374816957.db2.gz YSHKDAIQMUCPSE-UHFFFAOYSA-N 2 0 291.315 -0.482 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000646803746 374817105 /nfs/dbraw/zinc/81/71/05/374817105.db2.gz LTFXKBSLCVLUNH-YUMQZZPRSA-N 2 0 267.337 -0.864 20 0 CBADRP CN(C(=O)[C@@H]1C[NH2+]CCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000646875091 374832866 /nfs/dbraw/zinc/83/28/66/374832866.db2.gz FPNQNSPOFICZDT-MBYGNEARSA-N 2 0 253.346 -0.284 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646851024 374827348 /nfs/dbraw/zinc/82/73/48/374827348.db2.gz MRWJUNQRSIHEMJ-RHYQMDGZSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)[C@@H](C)C[NH2+]1 ZINC000646298132 374767666 /nfs/dbraw/zinc/76/76/66/374767666.db2.gz DNOQROANWUTBMR-GRYCIOLGSA-N 2 0 292.387 -0.148 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)CCO1 ZINC000646856513 374830037 /nfs/dbraw/zinc/83/00/37/374830037.db2.gz ISMYHTVUHQIZLS-SRVKXCTJSA-N 2 0 271.361 -0.670 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000646335044 374771235 /nfs/dbraw/zinc/77/12/35/374771235.db2.gz SKAHZAWVGSHMSD-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646343915 374772118 /nfs/dbraw/zinc/77/21/18/374772118.db2.gz VUTMXCLAWWYTHU-FRRDWIJNSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]C1(CC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCC1 ZINC000646363784 374773897 /nfs/dbraw/zinc/77/38/97/374773897.db2.gz OOWPWUZMKYNTEO-GFCCVEGCSA-N 2 0 266.389 -0.236 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000646372208 374775308 /nfs/dbraw/zinc/77/53/08/374775308.db2.gz OWWHHCOOGULRJJ-UHFFFAOYSA-N 2 0 255.362 -0.176 20 0 CBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)COCC[NH3+] ZINC000646428223 374778398 /nfs/dbraw/zinc/77/83/98/374778398.db2.gz AQOGZSVSBDWWPC-GFCCVEGCSA-N 2 0 273.377 -0.469 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C1)NCC[N@@H+]1CCCOCC1 ZINC000646504174 374783002 /nfs/dbraw/zinc/78/30/02/374783002.db2.gz XAPNLEBITKIYIS-LBPRGKRZSA-N 2 0 255.362 -0.176 20 0 CBADRP C[C@H](CCCC[NH3+])NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000647051267 374875112 /nfs/dbraw/zinc/87/51/12/374875112.db2.gz HDIQFQRWNVRXLM-MNOVXSKESA-N 2 0 270.377 -0.512 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000647068702 374878979 /nfs/dbraw/zinc/87/89/79/374878979.db2.gz KFNAEWVLTWHVSS-XHNCKOQMSA-N 2 0 251.334 -0.048 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000647080351 374881430 /nfs/dbraw/zinc/88/14/30/374881430.db2.gz ASOPEWRZZABJKX-TUAOUCFPSA-N 2 0 254.378 -0.606 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000647086622 374884769 /nfs/dbraw/zinc/88/47/69/374884769.db2.gz MUCKEFBJZJIYDN-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP COCC[NH2+]CCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000646906015 374837184 /nfs/dbraw/zinc/83/71/84/374837184.db2.gz OUZNZVFPZMTPLO-CYBMUJFWSA-N 2 0 295.387 -0.227 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CCO1 ZINC000646972167 374854993 /nfs/dbraw/zinc/85/49/93/374854993.db2.gz ODPHBBASNHXBHJ-FRRDWIJNSA-N 2 0 267.373 -0.192 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H]2CCC[NH2+]CC2)CC[NH2+]C1 ZINC000646984923 374855867 /nfs/dbraw/zinc/85/58/67/374855867.db2.gz DMYAFXSUHIIHPB-DGCLKSJQSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC[C@H]1CCC[NH2+]1 ZINC000646983387 374855942 /nfs/dbraw/zinc/85/59/42/374855942.db2.gz OSAJYYGGXHGSRQ-MNOVXSKESA-N 2 0 268.361 -0.887 20 0 CBADRP C[C@@H]1COCCN1CCNC(=O)Cn1ccnc1 ZINC000574615505 335033994 /nfs/dbraw/zinc/03/39/94/335033994.db2.gz CYCKYAWJVORHHE-LLVKDONJSA-N 2 0 252.318 -0.280 20 0 CBADRP CC[NH+]1CCC(CNC(=O)COC2C[NH2+]C2)CC1 ZINC000574635131 335035445 /nfs/dbraw/zinc/03/54/45/335035445.db2.gz XLYRDZXELHQPOU-UHFFFAOYSA-N 2 0 255.362 -0.177 20 0 CBADRP CC[NH+](CC)CC(=O)NCCCN1CC[NH2+]CC1 ZINC000236841974 284574945 /nfs/dbraw/zinc/57/49/45/284574945.db2.gz CYZQWJDYFGVJAX-UHFFFAOYSA-N 2 0 256.394 -0.260 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)[C@H](C)C[NH2+]1 ZINC000356399101 248246804 /nfs/dbraw/zinc/24/68/04/248246804.db2.gz YFCDKAYNMWAHKE-UTUOFQBUSA-N 2 0 255.362 -0.036 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000357236231 248337297 /nfs/dbraw/zinc/33/72/97/248337297.db2.gz DUGBUKVKHUHBQN-ZIAGYGMSSA-N 2 0 297.399 -0.454 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000357086255 248319272 /nfs/dbraw/zinc/31/92/72/248319272.db2.gz UGDMWBSFMMAMSK-ZDUSSCGKSA-N 2 0 285.388 -0.325 20 0 CBADRP CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000357100416 248322551 /nfs/dbraw/zinc/32/25/51/248322551.db2.gz FILAHZPYLDKELR-GFCCVEGCSA-N 2 0 293.433 -0.245 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000357181128 248331444 /nfs/dbraw/zinc/33/14/44/248331444.db2.gz WPVQZGOBOPABBE-WDEREUQCSA-N 2 0 270.377 -0.715 20 0 CBADRP COC[C@H]([NH3+])C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000357176240 248331953 /nfs/dbraw/zinc/33/19/53/248331953.db2.gz NEWMMCQZPXKSNT-AVGNSLFASA-N 2 0 287.404 -0.034 20 0 CBADRP C[NH2+]CCC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000357224313 248334144 /nfs/dbraw/zinc/33/41/44/248334144.db2.gz KQGMSNXZIXBUDZ-UHFFFAOYSA-N 2 0 255.362 -0.081 20 0 CBADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCN(CCO)CC2)CC1 ZINC000357226346 248334368 /nfs/dbraw/zinc/33/43/68/248334368.db2.gz PEQRCWVTWFDDMJ-UHFFFAOYSA-N 2 0 298.431 -0.674 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000357243076 248337639 /nfs/dbraw/zinc/33/76/39/248337639.db2.gz PYLFDCUVCVZTLT-NEPJUHHUSA-N 2 0 271.361 -0.798 20 0 CBADRP C[NH2+]CCC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000357249329 248339527 /nfs/dbraw/zinc/33/95/27/248339527.db2.gz RZZFWWFNBDTTTH-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000357297193 248348717 /nfs/dbraw/zinc/34/87/17/248348717.db2.gz APQBBABTRQAZNC-UZWSLXQKSA-N 2 0 282.388 -0.643 20 0 CBADRP CN(CC(=O)NC1CC1)C1CC[NH+](CCO)CC1 ZINC000357651522 248386419 /nfs/dbraw/zinc/38/64/19/248386419.db2.gz TXDWGXNPCVEOHD-UHFFFAOYSA-N 2 0 255.362 -0.347 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000357921390 248422544 /nfs/dbraw/zinc/42/25/44/248422544.db2.gz LQMLJBYLLQSROM-AVGNSLFASA-N 2 0 267.373 -0.347 20 0 CBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000373623568 248834092 /nfs/dbraw/zinc/83/40/92/248834092.db2.gz FJOTUMCUSPEADX-HZSPNIEDSA-N 2 0 299.415 -0.332 20 0 CBADRP CO[C@@H](CS(=O)(=O)N(CCC[NH3+])CCC[NH3+])C1CC1 ZINC000516062889 248921796 /nfs/dbraw/zinc/92/17/96/248921796.db2.gz JSDWIDDPKJXIKU-LBPRGKRZSA-N 2 0 293.433 -0.259 20 0 CBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653126945 412885366 /nfs/dbraw/zinc/88/53/66/412885366.db2.gz QCCXYBFZPDPTOQ-DCQANWLSSA-N 2 0 253.346 -0.582 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653131347 412885534 /nfs/dbraw/zinc/88/55/34/412885534.db2.gz GTTLDJYBYIKFEV-ZPFDUUQYSA-N 2 0 253.346 -0.663 20 0 CBADRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(=O)n(C)c1=O ZINC000346863709 218040672 /nfs/dbraw/zinc/04/06/72/218040672.db2.gz XYUWUDZNQNBZEI-WCFLWFBJSA-N 2 0 292.383 -0.357 20 0 CBADRP C[C@H]([NH3+])C1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000347074920 218113117 /nfs/dbraw/zinc/11/31/17/218113117.db2.gz UEXYDZUQZYFSNA-JTQLQIEISA-N 2 0 280.372 -0.357 20 0 CBADRP CC(C)C[C@H]([NH2+][C@@H](C)CC(N)=O)C(=O)NCC[NH+](C)C ZINC000347197666 218153581 /nfs/dbraw/zinc/15/35/81/218153581.db2.gz AZOQRMWJKHHOTD-RYUDHWBXSA-N 2 0 286.420 -0.068 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000423716163 284775409 /nfs/dbraw/zinc/77/54/09/284775409.db2.gz IASDAMKCUSBIRY-VXGBXAGGSA-N 2 0 284.404 -0.265 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC000347663269 218310794 /nfs/dbraw/zinc/31/07/94/218310794.db2.gz GNSPRDWBLQFBGW-NSHDSACASA-N 2 0 270.377 -0.845 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000347797413 218361444 /nfs/dbraw/zinc/36/14/44/218361444.db2.gz ZGBAYUJZJROPBD-CYBMUJFWSA-N 2 0 287.404 -0.615 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCC(=O)N1 ZINC000347989909 218419690 /nfs/dbraw/zinc/41/96/90/218419690.db2.gz BEYSUMNJOYVWHW-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)NCCCC[NH+]1CCOCC1 ZINC000165102303 207397310 /nfs/dbraw/zinc/39/73/10/207397310.db2.gz AYEWFIWXBICZBG-AWEZNQCLSA-N 2 0 299.415 -0.016 20 0 CBADRP CC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000167212761 207397368 /nfs/dbraw/zinc/39/73/68/207397368.db2.gz IACHLJUKXVNHCI-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP COCC[NH+]1CCC(NC(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000165848860 207397991 /nfs/dbraw/zinc/39/79/91/207397991.db2.gz OCWKAKJIDQUQEF-CQSZACIVSA-N 2 0 299.415 -0.018 20 0 CBADRP C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000178880808 207426866 /nfs/dbraw/zinc/42/68/66/207426866.db2.gz MAWHPOMWZCIXQT-QWHCGFSZSA-N 2 0 268.405 -0.119 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000417701553 207559886 /nfs/dbraw/zinc/55/98/86/207559886.db2.gz IFIQILXKQCYRDX-OUCADQQQSA-N 2 0 296.415 -0.117 20 0 CBADRP C[C@H](NC(=O)N(CC[NH3+])CCO)C(C)(C)C[NH+](C)C ZINC000417853269 207565858 /nfs/dbraw/zinc/56/58/58/207565858.db2.gz IEHZIRWGBVBQEV-NSHDSACASA-N 2 0 274.409 -0.075 20 0 CBADRP C[C@@H](NC(=O)N(CC[NH3+])CCO)C(C)(C)C[NH+](C)C ZINC000417853268 207566497 /nfs/dbraw/zinc/56/64/97/207566497.db2.gz IEHZIRWGBVBQEV-LLVKDONJSA-N 2 0 274.409 -0.075 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418847021 207613972 /nfs/dbraw/zinc/61/39/72/207613972.db2.gz ZQZXHQSHXCZBJW-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000419007225 207633891 /nfs/dbraw/zinc/63/38/91/207633891.db2.gz UDYHEZVGQSUIST-NSHDSACASA-N 2 0 270.377 -0.558 20 0 CBADRP C[C@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)[C@@H]1C[NH3+] ZINC000419097556 207645202 /nfs/dbraw/zinc/64/52/02/207645202.db2.gz GANOCSQGQDGDAH-WCQYABFASA-N 2 0 296.415 -0.217 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000342719940 532978586 /nfs/dbraw/zinc/97/85/86/532978586.db2.gz YHPJWPHQBMHZJX-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000419548216 207707373 /nfs/dbraw/zinc/70/73/73/207707373.db2.gz RDFVMSNPXNKLTI-SNVBAGLBSA-N 2 0 272.393 -0.586 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000423382762 285028339 /nfs/dbraw/zinc/02/83/39/285028339.db2.gz PCOHCGMGOXACMB-UKRRQHHQSA-N 2 0 299.415 -0.161 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000419949633 207765330 /nfs/dbraw/zinc/76/53/30/207765330.db2.gz GIJVNCCPRKUUPF-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)C[NH3+] ZINC000417567432 285035080 /nfs/dbraw/zinc/03/50/80/285035080.db2.gz NNUVYHRGZBXABY-QWRGUYRKSA-N 2 0 258.366 -0.256 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000420149323 207797353 /nfs/dbraw/zinc/79/73/53/207797353.db2.gz VBLRUGPFNZZIAN-GHMZBOCLSA-N 2 0 270.377 -0.879 20 0 CBADRP CCCN(C)S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420451034 207822513 /nfs/dbraw/zinc/82/25/13/207822513.db2.gz HUWCHSOMWMPXCZ-UHFFFAOYSA-N 2 0 266.411 -0.427 20 0 CBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423654809 207923955 /nfs/dbraw/zinc/92/39/55/207923955.db2.gz UBRVVBRXUOLFTD-GFCCVEGCSA-N 2 0 296.415 -0.121 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000424477020 207986670 /nfs/dbraw/zinc/98/66/70/207986670.db2.gz KXTXMVHTYBTSAU-CHWSQXEVSA-N 2 0 283.420 -0.149 20 0 CBADRP COCCNC(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368917385 285064786 /nfs/dbraw/zinc/06/47/86/285064786.db2.gz CORVPCQVYPRFOA-QWRGUYRKSA-N 2 0 256.350 -0.390 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000426308845 208046053 /nfs/dbraw/zinc/04/60/53/208046053.db2.gz GQZKIAKPSPVWJB-KGLIPLIRSA-N 2 0 280.416 -0.025 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000427577184 208063055 /nfs/dbraw/zinc/06/30/55/208063055.db2.gz JRGLQXXUQCVNJG-GRYCIOLGSA-N 2 0 255.362 -0.131 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1 ZINC000427787714 208070462 /nfs/dbraw/zinc/07/04/62/208070462.db2.gz HVHIWWLACCGRDY-OKILXGFUSA-N 2 0 280.416 -0.356 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)C[C@@H](C)[NH2+]1 ZINC000429401830 208122154 /nfs/dbraw/zinc/12/21/54/208122154.db2.gz GJWPRVTWUUZURM-IJLUTSLNSA-N 2 0 255.362 -0.036 20 0 CBADRP CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000429455503 208122327 /nfs/dbraw/zinc/12/23/27/208122327.db2.gz RFEPYPISJJNXHX-VXGBXAGGSA-N 2 0 292.449 -0.251 20 0 CBADRP CCN(CC)C(=O)C[N@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000429674207 208126970 /nfs/dbraw/zinc/12/69/70/208126970.db2.gz CFRDSHSGDILOQD-UHFFFAOYSA-N 2 0 298.431 -0.049 20 0 CBADRP CNS(=O)(=O)CCC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430579773 208165904 /nfs/dbraw/zinc/16/59/04/208165904.db2.gz KPPOLMHLLCADEY-UHFFFAOYSA-N 2 0 293.433 -0.245 20 0 CBADRP CC[NH2+]CC1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000430587325 208167343 /nfs/dbraw/zinc/16/73/43/208167343.db2.gz ZCOYVHKBXGPMGI-UHFFFAOYSA-N 2 0 282.388 -0.734 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430725502 208175071 /nfs/dbraw/zinc/17/50/71/208175071.db2.gz UEBQTEUERFTZMC-AAEUAGOBSA-N 2 0 298.431 -0.020 20 0 CBADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(C[NH3+])CC1 ZINC000430638349 208168650 /nfs/dbraw/zinc/16/86/50/208168650.db2.gz FMJXNNINBKDCGJ-YPMHNXCESA-N 2 0 296.415 -0.231 20 0 CBADRP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(C[NH3+])CC1 ZINC000430638348 208169814 /nfs/dbraw/zinc/16/98/14/208169814.db2.gz FMJXNNINBKDCGJ-WCQYABFASA-N 2 0 296.415 -0.231 20 0 CBADRP O=C(COC1C[NH2+]C1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000430673484 208170738 /nfs/dbraw/zinc/17/07/38/208170738.db2.gz CYAFUPLPVQTLTK-RYUDHWBXSA-N 2 0 253.346 -0.282 20 0 CBADRP COCC[NH2+]CC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000430704974 208171343 /nfs/dbraw/zinc/17/13/43/208171343.db2.gz KANYGMSEHWGSEH-UHFFFAOYSA-N 2 0 273.377 -0.551 20 0 CBADRP COCC[NH2+]CC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000430720049 208175781 /nfs/dbraw/zinc/17/57/81/208175781.db2.gz LWAGGWVIMMRCLI-UHFFFAOYSA-N 2 0 299.415 -0.016 20 0 CBADRP COCC[NH2+]CC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000430720660 208174419 /nfs/dbraw/zinc/17/44/19/208174419.db2.gz NFNZZZATWUHJSI-LLVKDONJSA-N 2 0 259.350 -0.941 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000430711722 208176445 /nfs/dbraw/zinc/17/64/45/208176445.db2.gz GCDSCGUREZAPRX-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000430729634 208174634 /nfs/dbraw/zinc/17/46/34/208174634.db2.gz HBETUTMURFCMCY-NEPJUHHUSA-N 2 0 271.361 -0.798 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)COC2C[NH2+]C2)C[C@H](C)O1 ZINC000430745095 208178808 /nfs/dbraw/zinc/17/88/08/208178808.db2.gz VTHGRYCUELPJAR-TXEJJXNPSA-N 2 0 285.388 -0.410 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C2(OC)CC[NH2+]CC2)C1 ZINC000430730669 208179088 /nfs/dbraw/zinc/17/90/88/208179088.db2.gz JQUHWWKCSVFCDE-LBPRGKRZSA-N 2 0 285.388 -0.408 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000430790830 208180423 /nfs/dbraw/zinc/18/04/23/208180423.db2.gz BEWKYJSHRQCLKN-OLZOCXBDSA-N 2 0 283.372 -0.845 20 0 CBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCC[NH3+])cn1 ZINC000430787977 208180723 /nfs/dbraw/zinc/18/07/23/208180723.db2.gz JYKMYSGZPIPAMY-UHFFFAOYSA-N 2 0 296.375 -0.762 20 0 CBADRP C[C@H]1C[C@@H](N(C)C(=O)COC2C[NH2+]C2)CC[N@@H+]1C ZINC000430785684 208182009 /nfs/dbraw/zinc/18/20/09/208182009.db2.gz YHLFSTOBZJFYON-QWRGUYRKSA-N 2 0 255.362 -0.084 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000430771306 208182163 /nfs/dbraw/zinc/18/21/63/208182163.db2.gz CMNGPRBEZHPWTH-GFCCVEGCSA-N 2 0 268.405 -0.262 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000430790832 208182664 /nfs/dbraw/zinc/18/26/64/208182664.db2.gz BEWKYJSHRQCLKN-STQMWFEESA-N 2 0 283.372 -0.845 20 0 CBADRP C[NH+](C)C1(CNC(=O)COC2C[NH2+]C2)CCCC1 ZINC000430825358 208185213 /nfs/dbraw/zinc/18/52/13/208185213.db2.gz SHCNXFMTBBSTPC-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[NH3+] ZINC000430877084 208186754 /nfs/dbraw/zinc/18/67/54/208186754.db2.gz IONDKRYXXYANOP-SNVBAGLBSA-N 2 0 256.350 -0.996 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000430878029 208187363 /nfs/dbraw/zinc/18/73/63/208187363.db2.gz LQBDDDJAWJCBPB-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000430891497 208188266 /nfs/dbraw/zinc/18/82/66/208188266.db2.gz UPARWONAGMOSPT-RYUDHWBXSA-N 2 0 282.388 -0.416 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000418571707 285078565 /nfs/dbraw/zinc/07/85/65/285078565.db2.gz ZDXHOOKAQICGBC-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP C[C@@H]1C[N@H+](CCC(=O)N2CCOCC2)CC[C@H]1[NH3+] ZINC000430920824 208190396 /nfs/dbraw/zinc/19/03/96/208190396.db2.gz QGWFEUAXUHVMNZ-VXGBXAGGSA-N 2 0 255.362 -0.096 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000430896939 208190655 /nfs/dbraw/zinc/19/06/55/208190655.db2.gz JLMOHWMCGIYOSV-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)C[NH2+]CCOC)CC1 ZINC000430909906 208190850 /nfs/dbraw/zinc/19/08/50/208190850.db2.gz QJHFSFULUKXMCO-UHFFFAOYSA-N 2 0 287.404 -0.161 20 0 CBADRP C[NH2+]C[C@@H]1CC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000430957845 208193438 /nfs/dbraw/zinc/19/34/38/208193438.db2.gz VENDSEWLYLPFJA-LBPRGKRZSA-N 2 0 255.362 -0.223 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000431001120 208195048 /nfs/dbraw/zinc/19/50/48/208195048.db2.gz ICFVHGDLTOZIAW-GFCCVEGCSA-N 2 0 283.372 -0.845 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN2CC[NH2+][C@@H](C)C2)CC1 ZINC000430969498 208195476 /nfs/dbraw/zinc/19/54/76/208195476.db2.gz DDZLOONZHFAAPE-LBPRGKRZSA-N 2 0 268.405 -0.119 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000431005867 208196127 /nfs/dbraw/zinc/19/61/27/208196127.db2.gz PCDGUXCGFWPAHX-KGLIPLIRSA-N 2 0 297.399 -0.454 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000431002862 208197137 /nfs/dbraw/zinc/19/71/37/208197137.db2.gz CCLUYUCCHWPYCH-CHWSQXEVSA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH+]1CCN(CCNC(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000431007787 208197689 /nfs/dbraw/zinc/19/76/89/208197689.db2.gz HPZSAKVSGUIUJE-ZDUSSCGKSA-N 2 0 284.404 -0.881 20 0 CBADRP COCC[C@@]1(C(=O)NCCN2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000431010418 208199051 /nfs/dbraw/zinc/19/90/51/208199051.db2.gz OZNPIHLQAHXSAX-HNNXBMFYSA-N 2 0 298.431 -0.634 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000417318565 285079665 /nfs/dbraw/zinc/07/96/65/285079665.db2.gz MCTYYKQOYJXSGK-NSHDSACASA-N 2 0 260.382 -0.138 20 0 CBADRP C[NH2+]CCCC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000431020709 208199188 /nfs/dbraw/zinc/19/91/88/208199188.db2.gz CXDHJBVWIMKPEL-GFCCVEGCSA-N 2 0 256.394 -0.262 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000431022087 208199237 /nfs/dbraw/zinc/19/92/37/208199237.db2.gz METWGLNOQMEYPH-OCCSQVGLSA-N 2 0 268.405 -0.262 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000431010813 208199373 /nfs/dbraw/zinc/19/93/73/208199373.db2.gz RSONXCWLONKOTD-CQSZACIVSA-N 2 0 298.431 -0.491 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000431012790 208199905 /nfs/dbraw/zinc/19/99/05/208199905.db2.gz GWAKPKYXILPVTG-CYBMUJFWSA-N 2 0 268.405 -0.260 20 0 CBADRP CN(C)CC[NH+]1CCC(CNC(=O)COC2C[NH2+]C2)CC1 ZINC000431062055 208201896 /nfs/dbraw/zinc/20/18/96/208201896.db2.gz NKEBLHMJSWQRRF-UHFFFAOYSA-N 2 0 298.431 -0.635 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433375257 208244264 /nfs/dbraw/zinc/24/42/64/208244264.db2.gz HCZPYJGXSJVWDX-VXGBXAGGSA-N 2 0 292.387 -0.116 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000432538064 208227278 /nfs/dbraw/zinc/22/72/78/208227278.db2.gz YIDQHYDOVLZPAK-STQMWFEESA-N 2 0 268.405 -0.262 20 0 CBADRP CC(C)[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C(N)=O ZINC000433128816 208237263 /nfs/dbraw/zinc/23/72/63/208237263.db2.gz XVHMNZYJJBTYPT-CYBMUJFWSA-N 2 0 284.404 -0.184 20 0 CBADRP Cc1nc(NC[C@@H](C)[NH+](C)C)nc(NC[C@@H](C)[NH+](C)C)n1 ZINC000433030714 208237391 /nfs/dbraw/zinc/23/73/91/208237391.db2.gz WVYNYNAXBMFEED-GHMZBOCLSA-N 2 0 295.435 -0.252 20 0 CBADRP CC(C)[C@@H](C[NH3+])C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000433169498 208238997 /nfs/dbraw/zinc/23/89/97/208238997.db2.gz RNFWQHAZBJLRFA-QWHCGFSZSA-N 2 0 270.421 -0.031 20 0 CBADRP CC1(C)C(=O)NCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433149094 208239052 /nfs/dbraw/zinc/23/90/52/208239052.db2.gz CPMLMPZFMVEFKV-UHFFFAOYSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H](C[NH3+])C(C)C)CC1 ZINC000433156789 208240836 /nfs/dbraw/zinc/24/08/36/208240836.db2.gz CXXJHODSDUJSLM-ZDUSSCGKSA-N 2 0 270.421 -0.029 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000434668840 208265095 /nfs/dbraw/zinc/26/50/95/208265095.db2.gz DFPDTDGRGKBICF-QJPTWQEYSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000434701813 208267710 /nfs/dbraw/zinc/26/77/10/208267710.db2.gz HXHDQJJXCRAGEK-STQMWFEESA-N 2 0 268.405 -0.119 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCN1CCCC1=O ZINC000436055357 208289514 /nfs/dbraw/zinc/28/95/14/208289514.db2.gz TUWSIQAUOKZTSB-ZDUSSCGKSA-N 2 0 296.415 -0.072 20 0 CBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CC[NH3+])CC1 ZINC000574807822 335048721 /nfs/dbraw/zinc/04/87/21/335048721.db2.gz BORLHWGNYQPMCP-ZDUSSCGKSA-N 2 0 268.405 -0.036 20 0 CBADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000442789652 208367669 /nfs/dbraw/zinc/36/76/69/208367669.db2.gz KAGYHFWESJNGTD-MNOVXSKESA-N 2 0 263.407 -0.063 20 0 CBADRP C[NH+](C)CC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000442959668 208372889 /nfs/dbraw/zinc/37/28/89/208372889.db2.gz ASZITCULKSAFRT-UHFFFAOYSA-N 2 0 256.394 -0.310 20 0 CBADRP O=C([C@H]1CC[NH2+]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000444267787 208410608 /nfs/dbraw/zinc/41/06/08/208410608.db2.gz IDAMSWOPKLCOOR-VXGBXAGGSA-N 2 0 253.346 -0.471 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H](CO)C[NH+]2CCCCC2)C1 ZINC000574857917 335052394 /nfs/dbraw/zinc/05/23/94/335052394.db2.gz KLDZGWZOGRVEAC-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCCCC2)C1 ZINC000574857913 335052606 /nfs/dbraw/zinc/05/26/06/335052606.db2.gz KLDZGWZOGRVEAC-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP COCC1(C(=O)N2CC[NH2+][C@@H](C)C2)CC[NH2+]CC1 ZINC000376559903 533115295 /nfs/dbraw/zinc/11/52/95/533115295.db2.gz AIVNTKDNDDIJIJ-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP COC[C@@H]([NH3+])C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376060625 285225103 /nfs/dbraw/zinc/22/51/03/285225103.db2.gz AUQMMKGWYJGTFK-TZMCWYRMSA-N 2 0 298.431 -0.413 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNC(N)=O ZINC000338095111 285243676 /nfs/dbraw/zinc/24/36/76/285243676.db2.gz VDXMAHQYJNJJEX-GFCCVEGCSA-N 2 0 299.419 -0.471 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354674922 220877817 /nfs/dbraw/zinc/87/78/17/220877817.db2.gz MECONJIXNYKJSA-RYUDHWBXSA-N 2 0 284.404 -0.122 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)C1 ZINC000655159628 413030169 /nfs/dbraw/zinc/03/01/69/413030169.db2.gz JTRBMXIRMNTOQJ-CHWSQXEVSA-N 2 0 296.415 -0.093 20 0 CBADRP C[C@H]([NH3+])C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000575044789 335056391 /nfs/dbraw/zinc/05/63/91/335056391.db2.gz YOBUOYUAIKPGFQ-YUMQZZPRSA-N 2 0 268.283 -0.714 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000262438543 285621230 /nfs/dbraw/zinc/62/12/30/285621230.db2.gz GXTMRBNPAMTRTM-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP O=C([C@@H]1CCCC[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000375956886 304318641 /nfs/dbraw/zinc/31/86/41/304318641.db2.gz FPCGZUKAZXAUSP-STQMWFEESA-N 2 0 266.389 -0.365 20 0 CBADRP COC1(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CC[NH2+]CC1 ZINC000157961931 292095634 /nfs/dbraw/zinc/09/56/34/292095634.db2.gz NWXIZARESCVYTR-WDEREUQCSA-N 2 0 255.362 -0.001 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000191868113 285779001 /nfs/dbraw/zinc/77/90/01/285779001.db2.gz NZEBRWCDZJXLNO-WISYIIOYSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000419243279 296577523 /nfs/dbraw/zinc/57/75/23/296577523.db2.gz SJASDNMORYGTTP-NEPJUHHUSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333874077 296579407 /nfs/dbraw/zinc/57/94/07/296579407.db2.gz VBLMJFWNXUTTBK-RDBSUJKOSA-N 2 0 295.431 -0.327 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000417776238 296585308 /nfs/dbraw/zinc/58/53/08/296585308.db2.gz AHDZHAHBWVFIRS-FRRDWIJNSA-N 2 0 296.415 -0.312 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000353438070 285993653 /nfs/dbraw/zinc/99/36/53/285993653.db2.gz YUWDBRWFLIQKQI-JHJVBQTASA-N 2 0 287.404 -0.034 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000373172383 285996121 /nfs/dbraw/zinc/99/61/21/285996121.db2.gz IXWSRCLZBUAVIM-YFKTTZPYSA-N 2 0 255.362 -0.064 20 0 CBADRP COCC1(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)CC[NH2+]CC1 ZINC000343649573 292213484 /nfs/dbraw/zinc/21/34/84/292213484.db2.gz HSAXSRDELMTILS-WDEREUQCSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418759564 297762602 /nfs/dbraw/zinc/76/26/02/297762602.db2.gz GLUGRRBEUHZSQW-AXFHLTTASA-N 2 0 256.350 -0.633 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449367361 292337654 /nfs/dbraw/zinc/33/76/54/292337654.db2.gz VPZGGGJOOSNDDG-VXGBXAGGSA-N 2 0 257.378 -0.074 20 0 CBADRP COCCC[N@@H+]1CCCN(C(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000365224627 292351636 /nfs/dbraw/zinc/35/16/36/292351636.db2.gz XNDMVGTUZSXFJH-ZDUSSCGKSA-N 2 0 287.404 -0.079 20 0 CBADRP COCCC[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])COC)CC1 ZINC000367534857 292352204 /nfs/dbraw/zinc/35/22/04/292352204.db2.gz YWIQJQBBLPSJJW-LBPRGKRZSA-N 2 0 273.377 -0.469 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419138709 289540541 /nfs/dbraw/zinc/54/05/41/289540541.db2.gz REJQAUJTPRCWKK-GRYCIOLGSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@@H](CCNC(=O)C(=O)N1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000419707716 286809854 /nfs/dbraw/zinc/80/98/54/286809854.db2.gz FAAIGPLTGGQASB-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419431719 286830100 /nfs/dbraw/zinc/83/01/00/286830100.db2.gz XRYKBJSJHUQPBW-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419126846 286833666 /nfs/dbraw/zinc/83/36/66/286833666.db2.gz YNCZWUOARLXZIC-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCO2)[C@H](C)C[NH2+]1 ZINC000418767192 296832554 /nfs/dbraw/zinc/83/25/54/296832554.db2.gz NTDJORGUAPYEFT-MXWKQRLJSA-N 2 0 256.350 -0.633 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC2([NH3+])CCC2)[C@@H](C)C1 ZINC000332457750 287090618 /nfs/dbraw/zinc/09/06/18/287090618.db2.gz ICSHVMVOCFFYDZ-NWDGAFQWSA-N 2 0 284.404 -0.036 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000419147155 298680485 /nfs/dbraw/zinc/68/04/85/298680485.db2.gz BRJHIJBABQVDGE-OLZOCXBDSA-N 2 0 296.415 -0.299 20 0 CBADRP COCC[NH+]1CCC(NC[C@@H](O)C[NH+](C)C)CC1 ZINC000361209728 292524058 /nfs/dbraw/zinc/52/40/58/292524058.db2.gz VGLPHZCNGDEHIN-CYBMUJFWSA-N 2 0 259.394 -0.391 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)CN2CC[NH2+]CC2)CC1 ZINC000037631238 411624034 /nfs/dbraw/zinc/62/40/34/411624034.db2.gz RBMLRQCYFLHZNV-UHFFFAOYSA-N 2 0 268.405 -0.166 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000372902872 292563094 /nfs/dbraw/zinc/56/30/94/292563094.db2.gz JFJDXYWHGCJSCU-LALPHHSUSA-N 2 0 299.415 -0.129 20 0 CBADRP CC(C)[C@@H](C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[C@@H](C)[NH3+] ZINC000662750120 413993669 /nfs/dbraw/zinc/99/36/69/413993669.db2.gz PWDAPROYDRSEFF-PRHODGIISA-N 2 0 281.360 -0.124 20 0 CBADRP CC1CC[NH+](CC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000662751935 413994128 /nfs/dbraw/zinc/99/41/28/413994128.db2.gz XCKJVLNGDJDKSH-UHFFFAOYSA-N 2 0 293.371 -0.011 20 0 CBADRP CC(C)[C@@H](C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+](C)C ZINC000662751408 413994252 /nfs/dbraw/zinc/99/42/52/413994252.db2.gz SNBADPVEVJLPNV-LBPRGKRZSA-N 2 0 281.360 -0.157 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662753712 413994297 /nfs/dbraw/zinc/99/42/97/413994297.db2.gz VGAJRENBIAURMR-JTQLQIEISA-N 2 0 279.344 -0.259 20 0 CBADRP CN(C(=O)C[NH3+])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899511 414061531 /nfs/dbraw/zinc/06/15/31/414061531.db2.gz DZHJQDNPHKQHPR-LBPRGKRZSA-N 2 0 254.378 -0.428 20 0 CBADRP C[C@@H](CNC(=O)CNC(=O)C[NH3+])[NH+]1CCCCC1 ZINC000038029474 174020038 /nfs/dbraw/zinc/02/00/38/174020038.db2.gz VAVHHQVUYLDPDY-JTQLQIEISA-N 2 0 256.350 -0.948 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000043800804 175106903 /nfs/dbraw/zinc/10/69/03/175106903.db2.gz IHKKUUNSMRXLSC-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP CCCNC(=O)CN(C)C(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000044513699 175189345 /nfs/dbraw/zinc/18/93/45/175189345.db2.gz PJYCMNYDMFMGCM-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP C[N@H+](CCNC(=O)[C@@H]1C[NH2+]CCO1)C1CCCC1 ZINC000071378558 176142843 /nfs/dbraw/zinc/14/28/43/176142843.db2.gz ASLZXLDWCXPTKQ-LBPRGKRZSA-N 2 0 255.362 -0.035 20 0 CBADRP CN(C)S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000071872539 176284445 /nfs/dbraw/zinc/28/44/45/176284445.db2.gz AOWFUFUMNUERCE-UHFFFAOYSA-N 2 0 294.465 -0.002 20 0 CBADRP CC[C@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[NH+](C)C ZINC000367376878 287467588 /nfs/dbraw/zinc/46/75/88/287467588.db2.gz DQBUZQQJPCKBRA-QWHCGFSZSA-N 2 0 268.405 -0.167 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000089700144 544436081 /nfs/dbraw/zinc/43/60/81/544436081.db2.gz UFHDZIRHLQFHST-LLVKDONJSA-N 2 0 280.376 -0.303 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)nn1 ZINC000089699765 544436447 /nfs/dbraw/zinc/43/64/47/544436447.db2.gz QURXFMXTYZNHBJ-LBPRGKRZSA-N 2 0 292.387 -0.063 20 0 CBADRP [NH3+]CCn1cc(C(=O)NCC[NH+]2CCCC2)nn1 ZINC000089698587 544436466 /nfs/dbraw/zinc/43/64/66/544436466.db2.gz COVYZMHFKBOPAS-UHFFFAOYSA-N 2 0 252.322 -0.938 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)c2cn(CC[NH3+])nn2)C1 ZINC000089709150 544438370 /nfs/dbraw/zinc/43/83/70/544438370.db2.gz ONLZUQSUHVAESB-LLVKDONJSA-N 2 0 280.376 -0.207 20 0 CBADRP COCC[N@H+](C)CCNC(=O)COC1(C)C[NH2+]C1 ZINC000098061736 544446699 /nfs/dbraw/zinc/44/66/99/544446699.db2.gz ZQCBPTNRMGBKAN-UHFFFAOYSA-N 2 0 259.350 -0.941 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)COC2(C)C[NH2+]C2)C1 ZINC000098061743 544447138 /nfs/dbraw/zinc/44/71/38/544447138.db2.gz KSVMZKQVPBSNMZ-NSHDSACASA-N 2 0 255.362 -0.083 20 0 CBADRP OC[C@H]1CCC[N@@H+]1CC1(C[NH+]2CCC[C@H]2CO)COC1 ZINC000119393898 544449863 /nfs/dbraw/zinc/44/98/63/544449863.db2.gz FFJVNPDOYHSXSC-OKILXGFUSA-N 2 0 284.400 -0.084 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000227047611 544492763 /nfs/dbraw/zinc/49/27/63/544492763.db2.gz IPQWFXDSZWYVLU-STQMWFEESA-N 2 0 268.405 -0.119 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)nn1 ZINC000227629828 544493823 /nfs/dbraw/zinc/49/38/23/544493823.db2.gz OIOZEFHXTYXEEA-JQWIXIFHSA-N 2 0 278.360 -0.407 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCNC(=O)C1 ZINC000155462592 544469707 /nfs/dbraw/zinc/46/97/07/544469707.db2.gz DBLFYKSVZDQCRP-LBPRGKRZSA-N 2 0 284.404 -0.536 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000161650652 544475441 /nfs/dbraw/zinc/47/54/41/544475441.db2.gz YFZQWBLUQPCLDD-AGIUHOORSA-N 2 0 296.415 -0.217 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCOC2(C[NH2+]C2)C1 ZINC000333949260 544547028 /nfs/dbraw/zinc/54/70/28/544547028.db2.gz XCKFCNJJALXWCX-OLZOCXBDSA-N 2 0 294.399 -0.003 20 0 CBADRP O=C(C[NH2+]C1CC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000238159220 544509151 /nfs/dbraw/zinc/50/91/51/544509151.db2.gz GWKAYJIKAREXLE-GFCCVEGCSA-N 2 0 267.373 -0.081 20 0 CBADRP C[N@@H+]1CC[C@]2(C1)CCCN(CC(=O)N1CCNC(=O)C1)C2 ZINC000660651587 419419563 /nfs/dbraw/zinc/41/95/63/419419563.db2.gz BFZCNPCMDMNQAH-HNNXBMFYSA-N 2 0 294.399 -0.638 20 0 CBADRP CN(CCC[N@H+](C)C[C@@H]1CNC(=O)C1)CC[NH+](C)C ZINC000660560138 419406208 /nfs/dbraw/zinc/40/62/08/419406208.db2.gz KBKPZIGCOHFWEA-ZDUSSCGKSA-N 2 0 270.421 -0.062 20 0 CBADRP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)CN1CCOCC1 ZINC000037904521 419411635 /nfs/dbraw/zinc/41/16/35/419411635.db2.gz GXPFBIYMZJFGOE-ZFWWWQNUSA-N 2 0 283.416 -0.247 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC000037643514 419412846 /nfs/dbraw/zinc/41/28/46/419412846.db2.gz AMGHXVYJRUEFOQ-LBPRGKRZSA-N 2 0 254.378 -0.650 20 0 CBADRP C[N@@H+]1CC[C@@]2(C1)CCCN(CC(=O)N1CCNC(=O)C1)C2 ZINC000660651588 419416210 /nfs/dbraw/zinc/41/62/10/419416210.db2.gz BFZCNPCMDMNQAH-OAHLLOKOSA-N 2 0 294.399 -0.638 20 0 CBADRP Cn1nccc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000103213216 419479664 /nfs/dbraw/zinc/47/96/64/419479664.db2.gz GWMPBDDJUIVUMH-UHFFFAOYSA-N 2 0 267.377 -0.015 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC1CCC([NH3+])CC1 ZINC000126299828 419494493 /nfs/dbraw/zinc/49/44/93/419494493.db2.gz JNPONHDPBCKVPG-CBINBANVSA-N 2 0 270.377 -0.528 20 0 CBADRP CC[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)N(C)C ZINC000053298821 419460818 /nfs/dbraw/zinc/46/08/18/419460818.db2.gz XVJKTKGHRSIDIS-UHFFFAOYSA-N 2 0 270.377 -0.782 20 0 CBADRP CC(C)(C[NH3+])C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394379118 544578431 /nfs/dbraw/zinc/57/84/31/544578431.db2.gz BSYOARJHOFYIII-NSHDSACASA-N 2 0 254.378 -0.523 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)C2=CC[C@H]([NH3+])C2)n1 ZINC000638088183 419525181 /nfs/dbraw/zinc/52/51/81/419525181.db2.gz DAAGMACEVNHENH-NSHDSACASA-N 2 0 263.345 0.431 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638075342 419525453 /nfs/dbraw/zinc/52/54/53/419525453.db2.gz DZVQYMCNSKBVST-WCQYABFASA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH2+]CC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000193129888 419543881 /nfs/dbraw/zinc/54/38/81/419543881.db2.gz KWWKVKVCWBKDLW-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000389564087 544576896 /nfs/dbraw/zinc/57/68/96/544576896.db2.gz CTOYOUOQVRBCIB-JTQLQIEISA-N 2 0 266.349 -0.549 20 0 CBADRP COC[C@H](C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)OC ZINC000662243572 419559059 /nfs/dbraw/zinc/55/90/59/419559059.db2.gz NCXBGLAKNZIVBG-KGLIPLIRSA-N 2 0 299.415 -0.208 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662242022 419560002 /nfs/dbraw/zinc/56/00/02/419560002.db2.gz AQRATRKZHQWSBT-CHWSQXEVSA-N 3 0 296.415 -0.706 20 0 CBADRP CNC(=O)[C@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662256739 419561220 /nfs/dbraw/zinc/56/12/20/419561220.db2.gz YKIMSOXGUQRYRV-RYUDHWBXSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662248230 419562515 /nfs/dbraw/zinc/56/25/15/419562515.db2.gz WPESHRYVEGPZBO-QJPTWQEYSA-N 2 0 255.362 -0.445 20 0 CBADRP C[C@H](CNC(=O)c1cn(CC[NH3+])nn1)[N@H+](C)C1CC1 ZINC000219946155 419563868 /nfs/dbraw/zinc/56/38/68/419563868.db2.gz ACFPTNQAVVFHKA-SECBINFHSA-N 2 0 266.349 -0.551 20 0 CBADRP CNC(=O)[C@H](C)C[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662259333 419565984 /nfs/dbraw/zinc/56/59/84/419565984.db2.gz VDOCUWHQXKEXFG-MNOVXSKESA-N 2 0 255.362 -0.179 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C[C@@H]1C[NH2+]CCO1 ZINC000662272209 419566505 /nfs/dbraw/zinc/56/65/05/419566505.db2.gz MDEAPXBSDGFWBV-OLZOCXBDSA-N 2 0 284.404 -0.706 20 0 CBADRP O[C@H](C[NH2+]CCCn1ccnn1)C[NH+]1CCCC1 ZINC000126901754 419496363 /nfs/dbraw/zinc/49/63/63/419496363.db2.gz LLUQRHVFNSGSEE-GFCCVEGCSA-N 2 0 253.350 -0.286 20 0 CBADRP C[C@@]1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CCC[NH2+]1 ZINC000394379089 544579578 /nfs/dbraw/zinc/57/95/78/544579578.db2.gz BPGQNAMHLFYXQZ-JSGCOSHPSA-N 2 0 266.389 -0.365 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCN2CC[NH2+]CC2)CC[N@@H+]1C ZINC000647679943 419634243 /nfs/dbraw/zinc/63/42/43/419634243.db2.gz GUAIUZCUOBOJMF-VXGBXAGGSA-N 2 0 254.378 -0.652 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394372386 544579696 /nfs/dbraw/zinc/57/96/96/544579696.db2.gz LGKRFLLNZCAOSP-VXGBXAGGSA-N 2 0 254.378 -0.524 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000647705050 419635623 /nfs/dbraw/zinc/63/56/23/419635623.db2.gz VHVANMBRJPZSSM-PWSUYJOCSA-N 2 0 270.377 -0.656 20 0 CBADRP [NH3+][C@H](CC(F)F)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394376554 544579849 /nfs/dbraw/zinc/57/98/49/544579849.db2.gz UBTJTQGDEDNRTC-VHSXEESVSA-N 2 0 276.331 -0.525 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000647711807 419636571 /nfs/dbraw/zinc/63/65/71/419636571.db2.gz GZFHIPDXTSAVAA-ZIAGYGMSSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C ZINC000662261309 419569996 /nfs/dbraw/zinc/56/99/96/419569996.db2.gz HLDWFOACYGJWJI-HZSPNIEDSA-N 2 0 283.416 -0.106 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394382981 544580257 /nfs/dbraw/zinc/58/02/57/544580257.db2.gz UZRFZAGICKLTSV-VXGBXAGGSA-N 2 0 254.378 -0.380 20 0 CBADRP CC(C)[NH2+]CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394382009 544580305 /nfs/dbraw/zinc/58/03/05/544580305.db2.gz ORSWCJQNXBFCKT-LBPRGKRZSA-N 2 0 254.378 -0.510 20 0 CBADRP CCN1CC[C@H]([N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000662284292 419571309 /nfs/dbraw/zinc/57/13/09/419571309.db2.gz XBKIQXUQAFXNLA-OLZOCXBDSA-N 2 0 292.387 -0.006 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NC[C@@H](C)C[NH2+]C)CC1 ZINC000236844446 419571614 /nfs/dbraw/zinc/57/16/14/419571614.db2.gz FGMVGNXHJIFPLL-ZDUSSCGKSA-N 2 0 270.421 -0.014 20 0 CBADRP CCCCOCCNC(=O)CNC1(CO)CC[NH2+]CC1 ZINC000662285998 419571914 /nfs/dbraw/zinc/57/19/14/419571914.db2.gz FMOMKZADFPGOBR-UHFFFAOYSA-N 2 0 287.404 -0.377 20 0 CBADRP CN(CC1CC1)C(=O)CNC1(CO)CC[NH2+]CC1 ZINC000662283331 419572167 /nfs/dbraw/zinc/57/21/67/419572167.db2.gz IAHBZYWXTPGFRC-UHFFFAOYSA-N 2 0 255.362 -0.441 20 0 CBADRP CN1CCC[C@H]([N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000662281932 419572315 /nfs/dbraw/zinc/57/23/15/419572315.db2.gz MOVXVMRYNXSVQY-OLZOCXBDSA-N 2 0 292.387 -0.006 20 0 CBADRP [NH3+]CCCCC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394381423 544580477 /nfs/dbraw/zinc/58/04/77/544580477.db2.gz MAYCGBBTMVEUED-GFCCVEGCSA-N 2 0 254.378 -0.379 20 0 CBADRP COC[C@H](C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)OC ZINC000662275976 419574731 /nfs/dbraw/zinc/57/47/31/419574731.db2.gz GJIAXWUDOHUWEB-OLZOCXBDSA-N 2 0 257.378 -0.373 20 0 CBADRP [NH3+]C1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CCCC1 ZINC000394387224 544580770 /nfs/dbraw/zinc/58/07/70/544580770.db2.gz SQNUKTWUACCULI-LBPRGKRZSA-N 2 0 266.389 -0.236 20 0 CBADRP Cn1cc(C[N@@H+]2CCCN(C[C@H]3C[NH2+]CCO3)CC2)cn1 ZINC000662277836 419575321 /nfs/dbraw/zinc/57/53/21/419575321.db2.gz UNCOLOIQRJXODP-OAHLLOKOSA-N 2 0 293.415 -0.084 20 0 CBADRP C[C@H]([NH3+])CCC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394382977 544580808 /nfs/dbraw/zinc/58/08/08/544580808.db2.gz UZRFZAGICKLTSV-NWDGAFQWSA-N 2 0 254.378 -0.380 20 0 CBADRP CCO[C@@H]1CN([C@H]2CCN(CC)C2=O)C[C@H]1C[NH3+] ZINC000662285294 419575543 /nfs/dbraw/zinc/57/55/43/419575543.db2.gz IXQFEMMNDYICOZ-GRYCIOLGSA-N 2 0 255.362 -0.097 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394390379 544580924 /nfs/dbraw/zinc/58/09/24/544580924.db2.gz XMXYEBVEQVLIPX-XQQFMLRXSA-N 2 0 266.389 -0.510 20 0 CBADRP CC(C)([NH3+])CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394383099 544580978 /nfs/dbraw/zinc/58/09/78/544580978.db2.gz VYMSFNSODJDOQY-LLVKDONJSA-N 2 0 254.378 -0.380 20 0 CBADRP CCO[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C[NH3+] ZINC000662287423 419578241 /nfs/dbraw/zinc/57/82/41/419578241.db2.gz ZTXMATJMTOEBOB-FRRDWIJNSA-N 3 0 269.389 -0.197 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394381572 544581320 /nfs/dbraw/zinc/58/13/20/544581320.db2.gz MLVGMDWWNADCRI-SRVKXCTJSA-N 2 0 254.378 -0.524 20 0 CBADRP O=C(COC1CC[NH2+]CC1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394397020 544581412 /nfs/dbraw/zinc/58/14/12/544581412.db2.gz BUSJHMSQEGATCP-CYBMUJFWSA-N 2 0 296.415 -0.739 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CCCC[NH2+]1 ZINC000394383776 544581492 /nfs/dbraw/zinc/58/14/92/544581492.db2.gz FURZUBSGPUZNSJ-STQMWFEESA-N 2 0 266.389 -0.365 20 0 CBADRP CC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662298301 419580803 /nfs/dbraw/zinc/58/08/03/419580803.db2.gz BDCNIMQNUWCLKC-VXGBXAGGSA-N 2 0 253.346 -0.282 20 0 CBADRP CC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662298297 419581885 /nfs/dbraw/zinc/58/18/85/419581885.db2.gz BDCNIMQNUWCLKC-RYUDHWBXSA-N 2 0 253.346 -0.282 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000662317745 419584593 /nfs/dbraw/zinc/58/45/93/419584593.db2.gz RPCPONRKGOQLBL-GXTWGEPZSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000662561161 419639411 /nfs/dbraw/zinc/63/94/11/419639411.db2.gz PQXPFEHUPNZUOF-NXEZZACHSA-N 2 0 296.337 -0.063 20 0 CBADRP C[C@@]1(C(N)=O)CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662314325 419585464 /nfs/dbraw/zinc/58/54/64/419585464.db2.gz DVPHOPQOMHBKAK-ZYHUDNBSSA-N 2 0 253.346 -0.295 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000237909424 419587377 /nfs/dbraw/zinc/58/73/77/419587377.db2.gz SNSUOXKTSBQSTR-NEPJUHHUSA-N 2 0 282.388 -0.558 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662400313 419595063 /nfs/dbraw/zinc/59/50/63/419595063.db2.gz RFSVNYUJRUSOFU-NSHDSACASA-N 2 0 294.321 -0.450 20 0 CBADRP CC(C)[NH2+]CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000662404367 419596039 /nfs/dbraw/zinc/59/60/39/419596039.db2.gz GWAJTQDPXZCMTI-NSHDSACASA-N 2 0 270.377 -0.702 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccccc2CO)CC1 ZINC000647519478 419597906 /nfs/dbraw/zinc/59/79/06/419597906.db2.gz JFHWNIITGDWPTC-MRXNPFEDSA-N 2 0 293.411 -0.123 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662425287 419603451 /nfs/dbraw/zinc/60/34/51/419603451.db2.gz ZYLJZKKMTFTEPK-LLVKDONJSA-N 2 0 280.376 -0.084 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H](O)C2CCC2)CC1 ZINC000647537072 419605148 /nfs/dbraw/zinc/60/51/48/419605148.db2.gz OKPSTHYXLFNBSN-KBPBESRZSA-N 2 0 271.405 -0.655 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000662437969 419605391 /nfs/dbraw/zinc/60/53/91/419605391.db2.gz KSSBVXFDNPJFAC-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])COC(C)C ZINC000662441373 419606009 /nfs/dbraw/zinc/60/60/09/419606009.db2.gz FVLCYDVKZMIOHV-STQMWFEESA-N 2 0 287.404 -0.034 20 0 CBADRP NC(=O)Cn1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nn1 ZINC000647545713 419608196 /nfs/dbraw/zinc/60/81/96/419608196.db2.gz JLSKFTZUHMYSKO-NEPJUHHUSA-N 2 0 292.387 -0.415 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@@H](CN2CC[NH2+]C[C@@H]2C(F)F)C1 ZINC000647541872 419608450 /nfs/dbraw/zinc/60/84/50/419608450.db2.gz ZNVIYZMXYUGNRP-WDEREUQCSA-N 2 0 290.358 -0.277 20 0 CBADRP C[NH+](C)C[C@H](CO)NC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647535940 419608617 /nfs/dbraw/zinc/60/86/17/419608617.db2.gz KBSZLXLWQGDRTC-HZPDHXFCSA-N 2 0 295.427 -0.009 20 0 CBADRP C[NH+](C)C[C@@H](CO)NC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647535941 419608816 /nfs/dbraw/zinc/60/88/16/419608816.db2.gz KBSZLXLWQGDRTC-JKSUJKDBSA-N 2 0 295.427 -0.009 20 0 CBADRP CO[C@@]1(CO)CCCN(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000401706105 544585059 /nfs/dbraw/zinc/58/50/59/544585059.db2.gz DRAYDUWQJRNSEG-KGLIPLIRSA-N 2 0 272.389 -0.085 20 0 CBADRP C[C@@H](NC(=O)c1cn(CC[NH3+])nn1)C(C)(C)C[NH+](C)C ZINC000662474381 419616599 /nfs/dbraw/zinc/61/65/99/419616599.db2.gz WDZNZLREKYDJFE-SNVBAGLBSA-N 2 0 282.392 -0.057 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000662476253 419616935 /nfs/dbraw/zinc/61/69/35/419616935.db2.gz LAPMIETXTNSDHB-KBPBESRZSA-N 2 0 299.415 -0.081 20 0 CBADRP COC1(C(=O)N[C@H]2CCC[N@H+](C)C2)CC[NH2+]CC1 ZINC000310954875 419618238 /nfs/dbraw/zinc/61/82/38/419618238.db2.gz BYZNTEFSBJMVBN-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCN1C(=O)CNC1=O)C2 ZINC000311479508 419619748 /nfs/dbraw/zinc/61/97/48/419619748.db2.gz QSQCDMVWPJXPSF-GWCFXTLKSA-N 2 0 266.345 -0.401 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000311177376 419619803 /nfs/dbraw/zinc/61/98/03/419619803.db2.gz WTVUJEPCHIKXAI-UPJWGTAASA-N 2 0 257.378 -0.923 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000647594969 419620999 /nfs/dbraw/zinc/62/09/99/419620999.db2.gz CEGVUJWUNCKBDS-ZDEQEGDKSA-N 2 0 296.415 -0.029 20 0 CBADRP CC[N@@H+]1CCCN(C[C@H](O)C[NH+](C)CCOC)CC1 ZINC000311543405 419621619 /nfs/dbraw/zinc/62/16/19/419621619.db2.gz HJWDDQYIWMVVAD-CQSZACIVSA-N 2 0 273.421 -0.047 20 0 CBADRP CC(C)([NH3+])CCC(=O)NCCCN1CC[NH2+]CC1 ZINC000647605624 419624935 /nfs/dbraw/zinc/62/49/35/419624935.db2.gz CQTCBJBEQIDURQ-UHFFFAOYSA-N 2 0 256.394 -0.085 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)O1 ZINC000662519447 419629488 /nfs/dbraw/zinc/62/94/88/419629488.db2.gz QRAPFYCMTUYUDH-WRWGMCAJSA-N 2 0 253.346 -0.426 20 0 CBADRP CC(C)[C@H]1CN(C(=O)c2cn(CC[NH3+])nn2)CC[NH2+]1 ZINC000662515692 419629588 /nfs/dbraw/zinc/62/95/88/419629588.db2.gz SBMKODCBTWULRG-SNVBAGLBSA-N 2 0 266.349 -0.693 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N(C1CC1)C1CC[NH2+]CC1 ZINC000647643611 419629626 /nfs/dbraw/zinc/62/96/26/419629626.db2.gz KOYQNQIWGZZAJW-ZDUSSCGKSA-N 2 0 294.399 -0.402 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000662521901 419629971 /nfs/dbraw/zinc/62/99/71/419629971.db2.gz USJWMUOUEGMAGU-SDDRHHMPSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1cn(CC[NH3+])nn1 ZINC000662514187 419630370 /nfs/dbraw/zinc/63/03/70/419630370.db2.gz LDKKOUPKBFUWTH-DTWKUNHWSA-N 2 0 252.322 -0.941 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000662517559 419630404 /nfs/dbraw/zinc/63/04/04/419630404.db2.gz MDMDYMPKROQQIX-STQMWFEESA-N 2 0 284.404 -0.755 20 0 CBADRP C[NH+](C)CCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662516279 419630897 /nfs/dbraw/zinc/63/08/97/419630897.db2.gz DDYMVXYBEFBPIK-SECBINFHSA-N 2 0 251.334 -0.222 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000662516550 419630912 /nfs/dbraw/zinc/63/09/12/419630912.db2.gz JBJPNMYZNIFBPK-FRRDWIJNSA-N 2 0 266.389 -0.380 20 0 CBADRP O=C([C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000647824832 419662208 /nfs/dbraw/zinc/66/22/08/419662208.db2.gz YYHCZJUOFSVXLE-UONOGXRCSA-N 3 0 280.416 -0.260 20 0 CBADRP C[N@H+](CCCCS(C)(=O)=O)CCN1CC[NH2+]CC1 ZINC000647835824 419665016 /nfs/dbraw/zinc/66/50/16/419665016.db2.gz QJVJTZXYFNHTDQ-UHFFFAOYSA-N 2 0 277.434 -0.352 20 0 CBADRP [NH3+]C[C@@H](NC(=O)C1(n2cccn2)CC[NH2+]CC1)C1CC1 ZINC000647833331 419665424 /nfs/dbraw/zinc/66/54/24/419665424.db2.gz RUYNNJSIHYDGIG-GFCCVEGCSA-N 2 0 277.372 -0.185 20 0 CBADRP C[C@@H](CN1CCOCC1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000647828798 419666476 /nfs/dbraw/zinc/66/64/76/419666476.db2.gz ZEMCULXNSKNOJQ-KBPBESRZSA-N 2 0 298.431 -0.506 20 0 CBADRP CC1(C)C[NH2+]CCN1C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000647841363 419669381 /nfs/dbraw/zinc/66/93/81/419669381.db2.gz NDUCCHOEGHJSAH-NSHDSACASA-N 2 0 292.387 -0.146 20 0 CBADRP C[NH2+]CCC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000662658959 419669871 /nfs/dbraw/zinc/66/98/71/419669871.db2.gz GXKVYGBWAPWJHW-UHFFFAOYSA-N 2 0 258.366 -0.926 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC[NH2+]1 ZINC000662660347 419673140 /nfs/dbraw/zinc/67/31/40/419673140.db2.gz URAQVWIOBFBQFX-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[C@H]1CCC[NH2+]1 ZINC000662659372 419674744 /nfs/dbraw/zinc/67/47/44/419674744.db2.gz KSLABPJQTCURFB-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000662660710 419675127 /nfs/dbraw/zinc/67/51/27/419675127.db2.gz YMLARRIOFVCRTD-QWHCGFSZSA-N 2 0 298.431 -0.018 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662663377 419675445 /nfs/dbraw/zinc/67/54/45/419675445.db2.gz DWJGFSCREVMCDQ-RYUDHWBXSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)C1(O)C[NH2+]C1)Cc1ccccc1 ZINC000662663228 419675764 /nfs/dbraw/zinc/67/57/64/419675764.db2.gz MKAFPPZUPLIXFE-ZDUSSCGKSA-N 2 0 277.368 -0.390 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662771662 419714550 /nfs/dbraw/zinc/71/45/50/419714550.db2.gz IJIXTRBLQLEEGP-RHYQMDGZSA-N 2 0 253.346 -0.439 20 0 CBADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1(O)C[NH2+]C1 ZINC000662669095 419678259 /nfs/dbraw/zinc/67/82/59/419678259.db2.gz VEPPMDUYRJNAIG-LLVKDONJSA-N 2 0 255.362 -0.299 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662673385 419678434 /nfs/dbraw/zinc/67/84/34/419678434.db2.gz JNLJZVFKPMBCSM-VXGBXAGGSA-N 2 0 255.362 -0.097 20 0 CBADRP C[NH+](C)CCOc1cccc(NC(=O)C2(O)C[NH2+]C2)c1 ZINC000662673784 419678518 /nfs/dbraw/zinc/67/85/18/419678518.db2.gz QWIDXMUJKREVAJ-UHFFFAOYSA-N 2 0 279.340 -0.100 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000662672415 419678934 /nfs/dbraw/zinc/67/89/34/419678934.db2.gz ZEBCOJREEPVWDV-AAVRWANBSA-N 2 0 299.415 -0.034 20 0 CBADRP C[C@H](CNC(=O)C1(O)C[NH2+]C1)[N@@H+]1CCCC[C@H]1C ZINC000662680378 419680143 /nfs/dbraw/zinc/68/01/43/419680143.db2.gz SURSVNILMKHMGU-GHMZBOCLSA-N 2 0 255.362 -0.300 20 0 CBADRP Cn1nc(C2CC2)nc1CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000647874448 419680585 /nfs/dbraw/zinc/68/05/85/419680585.db2.gz WSAIWHBLMZQWNV-LLVKDONJSA-N 2 0 292.387 -0.664 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000662683683 419680576 /nfs/dbraw/zinc/68/05/76/419680576.db2.gz QYZASMOJTJUJBA-STQMWFEESA-N 2 0 285.388 -0.421 20 0 CBADRP COC[C@]1(C(=O)N2CC3CC2(C[NH3+])C3)CC[NH2+]C1 ZINC000662683615 419680624 /nfs/dbraw/zinc/68/06/24/419680624.db2.gz UELKBFZPAREHDM-YDGIUTOCSA-N 2 0 253.346 -0.438 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662683012 419680906 /nfs/dbraw/zinc/68/09/06/419680906.db2.gz LKBMTKFXFYYJIZ-MZYPSXCRSA-N 2 0 251.330 -0.828 20 0 CBADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662683428 419681424 /nfs/dbraw/zinc/68/14/24/419681424.db2.gz OEZKNPLCHVUYGS-GFCCVEGCSA-N 2 0 269.389 -0.051 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CCSC1 ZINC000662681142 419682890 /nfs/dbraw/zinc/68/28/90/419682890.db2.gz BBXJDRMWCQANMV-LOWVWBTDSA-N 2 0 287.429 -0.096 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CNC(=O)C[NH3+] ZINC000662692782 419683918 /nfs/dbraw/zinc/68/39/18/419683918.db2.gz GLNNSDAHJALZRU-LLVKDONJSA-N 2 0 270.377 -0.702 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCO[C@H]1C[NH3+])C1CC1 ZINC000662688548 419686380 /nfs/dbraw/zinc/68/63/80/419686380.db2.gz PXTVAVAOUSHDRU-TUAOUCFPSA-N 2 0 255.362 -0.193 20 0 CBADRP O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2CCN1CC[NH2+]CC1 ZINC000647889293 419686653 /nfs/dbraw/zinc/68/66/53/419686653.db2.gz CGMNEGSPZJSARL-NEPJUHHUSA-N 2 0 252.362 -0.756 20 0 CBADRP C[C@@H]1C[N@@H+](CCCCNC(=O)C2(O)C[NH2+]C2)C[C@H](C)O1 ZINC000662693166 419687156 /nfs/dbraw/zinc/68/71/56/419687156.db2.gz QYHGHFQBDJYDLY-TXEJJXNPSA-N 2 0 285.388 -0.674 20 0 CBADRP CNS(=O)(=O)C[C@H]1CCCN1C[C@H]1CC[NH2+]C1 ZINC000647890797 419687461 /nfs/dbraw/zinc/68/74/61/419687461.db2.gz VSJZSVHGWFSBKJ-WDEREUQCSA-N 2 0 261.391 -0.391 20 0 CBADRP CNS(=O)(=O)C[C@@H]1CCCN1C[C@@H]1CC[NH2+]C1 ZINC000647890795 419688134 /nfs/dbraw/zinc/68/81/34/419688134.db2.gz VSJZSVHGWFSBKJ-MNOVXSKESA-N 2 0 261.391 -0.391 20 0 CBADRP C(CN1CCO[C@H]([C@@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC000647891563 419689031 /nfs/dbraw/zinc/68/90/31/419689031.db2.gz RPXBWLKWNVKFCS-KBPBESRZSA-N 2 0 269.389 -0.229 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000662702848 419692449 /nfs/dbraw/zinc/69/24/49/419692449.db2.gz NWBUVHYNCNTJQP-WCQGTBRESA-N 2 0 253.346 -0.297 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662702996 419692938 /nfs/dbraw/zinc/69/29/38/419692938.db2.gz GCLZKQZCAAEKSI-GHMZBOCLSA-N 2 0 259.350 -0.955 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)N(CC[NH3+])CCO ZINC000417288945 544591028 /nfs/dbraw/zinc/59/10/28/544591028.db2.gz OQQIPDUHUKSZRU-NSHDSACASA-N 2 0 260.382 -0.321 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662703209 419694939 /nfs/dbraw/zinc/69/49/39/419694939.db2.gz GWIIYLCXHRHSSU-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP CC1(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[NH2+]C1 ZINC000662707457 419695257 /nfs/dbraw/zinc/69/52/57/419695257.db2.gz FKBXJVHDVULUOY-GFCCVEGCSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000662713839 419696808 /nfs/dbraw/zinc/69/68/08/419696808.db2.gz ZJPYZFQJOVCEKR-WOPDTQHZSA-N 2 0 255.362 -0.097 20 0 CBADRP Cn1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1=O ZINC000647966607 419696917 /nfs/dbraw/zinc/69/69/17/419696917.db2.gz QLYHGNMIKFITSV-AWEZNQCLSA-N 2 0 276.384 -0.135 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000662716929 419697988 /nfs/dbraw/zinc/69/79/88/419697988.db2.gz KSLCBLBWJYEYOW-FQUUOJAGSA-N 2 0 297.399 -0.592 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662715787 419699139 /nfs/dbraw/zinc/69/91/39/419699139.db2.gz MJJDZJWGORFCOB-JOCQHMNTSA-N 2 0 296.415 -0.264 20 0 CBADRP [NH3+]C1(CC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000662716722 419699208 /nfs/dbraw/zinc/69/92/08/419699208.db2.gz WAYCWGKCZSRLAQ-UHFFFAOYSA-N 2 0 294.399 -0.366 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339629902 419703250 /nfs/dbraw/zinc/70/32/50/419703250.db2.gz DTKWUEASGHPFCR-GFCCVEGCSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[NH+]1CCC(CCNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662729160 419707640 /nfs/dbraw/zinc/70/76/40/419707640.db2.gz LDMZOKZLZPOKNH-UHFFFAOYSA-N 2 0 255.362 -0.441 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C[N@@H+]1C1CC1 ZINC000647995923 419708022 /nfs/dbraw/zinc/70/80/22/419708022.db2.gz BQXQBISPZGVBCH-RFHZTLPTSA-N 2 0 296.415 -0.072 20 0 CBADRP C[C@H]1C[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C[N@@H+]1C1CC1 ZINC000647995922 419708141 /nfs/dbraw/zinc/70/81/41/419708141.db2.gz BQXQBISPZGVBCH-IMIFBBOLSA-N 2 0 296.415 -0.072 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662743282 419708518 /nfs/dbraw/zinc/70/85/18/419708518.db2.gz NFZDEYYYIAVILY-NWDGAFQWSA-N 2 0 273.377 -0.565 20 0 CBADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)CCN1CCCS1(=O)=O ZINC000647995428 419709015 /nfs/dbraw/zinc/70/90/15/419709015.db2.gz XFDLDRIWTUYYEW-LBPRGKRZSA-N 2 0 275.418 -0.047 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000662754321 419711406 /nfs/dbraw/zinc/71/14/06/419711406.db2.gz KVPWKAWIAACKPV-LBPRGKRZSA-N 2 0 256.394 -0.262 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662555985 419641621 /nfs/dbraw/zinc/64/16/21/419641621.db2.gz ZFOCFNRVUCCHPO-ZYHUDNBSSA-N 2 0 292.387 -0.070 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662567021 419643720 /nfs/dbraw/zinc/64/37/20/419643720.db2.gz SHZBCCHSTGGQDZ-DTWKUNHWSA-N 2 0 251.334 -0.046 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000647728281 419643919 /nfs/dbraw/zinc/64/39/19/419643919.db2.gz VYRFBHTXDAMNDA-WDMOLILDSA-N 2 0 280.372 -0.948 20 0 CBADRP COC1(CO)CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000402941777 544587460 /nfs/dbraw/zinc/58/74/60/544587460.db2.gz YMZAKLIRIZIOQK-UHFFFAOYSA-N 2 0 285.388 -0.718 20 0 CBADRP CCCN(C(=O)COC1(C)C[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000647767960 419651814 /nfs/dbraw/zinc/65/18/14/419651814.db2.gz CUEYFKNSWUAMMF-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000662604073 419651797 /nfs/dbraw/zinc/65/17/97/419651797.db2.gz AOQHYGQLBAYKDU-JTQLQIEISA-N 2 0 280.376 -0.161 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662621936 419653006 /nfs/dbraw/zinc/65/30/06/419653006.db2.gz MFQDOTVYAZMFML-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CNC(=O)C[NH3+])C1 ZINC000662622855 419654139 /nfs/dbraw/zinc/65/41/39/419654139.db2.gz VAYBBJACKGXEKJ-SECBINFHSA-N 2 0 256.350 -0.950 20 0 CBADRP CN1CCN(C(=O)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647793274 419657431 /nfs/dbraw/zinc/65/74/31/419657431.db2.gz RNWVBEVIXZJZLR-HZSPNIEDSA-N 2 0 280.416 -0.262 20 0 CBADRP CC(C)[NH2+]CC(=O)NCCN(C)CCC[NH+](C)C ZINC000662632683 419658216 /nfs/dbraw/zinc/65/82/16/419658216.db2.gz SSOYSJBITNIWFA-UHFFFAOYSA-N 2 0 258.410 -0.016 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000662790254 419727009 /nfs/dbraw/zinc/72/70/09/419727009.db2.gz BGDZIECVIFIGJP-RYUDHWBXSA-N 2 0 253.346 -0.343 20 0 CBADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(O)C[NH2+]C1 ZINC000662794502 419728113 /nfs/dbraw/zinc/72/81/13/419728113.db2.gz RDUPSCHBRQFSEV-JSGCOSHPSA-N 2 0 289.379 -0.043 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662800939 419729424 /nfs/dbraw/zinc/72/94/24/419729424.db2.gz HEXJHKJBXYDZFB-VXGBXAGGSA-N 2 0 255.362 -0.097 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662796095 419729527 /nfs/dbraw/zinc/72/95/27/419729527.db2.gz IGJVWOROLKKCLQ-QWRGUYRKSA-N 2 0 259.350 -0.955 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662796093 419729722 /nfs/dbraw/zinc/72/97/22/419729722.db2.gz IGJVWOROLKKCLQ-GHMZBOCLSA-N 2 0 259.350 -0.955 20 0 CBADRP CC1(OCC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C[NH2+]C1 ZINC000648109118 419732987 /nfs/dbraw/zinc/73/29/87/419732987.db2.gz ZFHKNKLXNQQLSJ-QJPTWQEYSA-N 2 0 267.373 -0.049 20 0 CBADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])[C@H]2C1 ZINC000662812996 419733404 /nfs/dbraw/zinc/73/34/04/419733404.db2.gz XKWZGKJCZZVQKA-MROQNXINSA-N 2 0 283.372 -0.718 20 0 CBADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])[C@@H]2C1 ZINC000662812997 419734393 /nfs/dbraw/zinc/73/43/93/419734393.db2.gz XKWZGKJCZZVQKA-NDBYEHHHSA-N 2 0 283.372 -0.718 20 0 CBADRP O=C(NCC1CC[NH+](C2CC2)CC1)C1(O)C[NH2+]C1 ZINC000662810394 419735033 /nfs/dbraw/zinc/73/50/33/419735033.db2.gz QYTOTEDHHYUUDX-UHFFFAOYSA-N 2 0 253.346 -0.689 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000662815131 419736386 /nfs/dbraw/zinc/73/63/86/419736386.db2.gz HYVSTCHGARUWCK-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C[C@H]1C[NH3+] ZINC000662813223 419736400 /nfs/dbraw/zinc/73/64/00/419736400.db2.gz IHQRPIZCZKYWNC-DDHJBXDOSA-N 2 0 255.362 -0.207 20 0 CBADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000662815133 419737828 /nfs/dbraw/zinc/73/78/28/419737828.db2.gz HYVSTCHGARUWCK-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+][C@@H]1CCCCN(CC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1=O ZINC000648123614 419738543 /nfs/dbraw/zinc/73/85/43/419738543.db2.gz BOWMUZWRMMQJRL-YNEHKIRRSA-N 2 0 294.399 -0.463 20 0 CBADRP [NH3+][C@@H]1CCCCN(CC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1=O ZINC000648123611 419739829 /nfs/dbraw/zinc/73/98/29/419739829.db2.gz BOWMUZWRMMQJRL-JHJVBQTASA-N 2 0 294.399 -0.463 20 0 CBADRP O=C([C@@H]1C[NH2+]CCOC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000648124107 419740023 /nfs/dbraw/zinc/74/00/23/419740023.db2.gz QZGUJBNRQLIALT-TUAOUCFPSA-N 2 0 253.346 -0.567 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC000662829282 419740611 /nfs/dbraw/zinc/74/06/11/419740611.db2.gz BXUYROZQLQITPQ-RYUDHWBXSA-N 2 0 255.362 -0.144 20 0 CBADRP COCC1(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]CC1 ZINC000648132930 419744571 /nfs/dbraw/zinc/74/45/71/419744571.db2.gz IAENHNITUPWLOB-GDNZZTSVSA-N 2 0 267.373 -0.416 20 0 CBADRP O=C(N1CCC[C@H](C2CC[NH2+]CC2)C1)C1(O)C[NH2+]C1 ZINC000662842752 419745391 /nfs/dbraw/zinc/74/53/91/419745391.db2.gz QDRBRRNFQDUERG-LBPRGKRZSA-N 2 0 267.373 -0.441 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662846710 419745528 /nfs/dbraw/zinc/74/55/28/419745528.db2.gz TUAIEPXLJQDMGO-JTQLQIEISA-N 2 0 255.362 -0.443 20 0 CBADRP COC[C@@]1(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCC[NH2+]1 ZINC000648136531 419747488 /nfs/dbraw/zinc/74/74/88/419747488.db2.gz RLKPGFHZYLNHFM-WGBDABJCSA-N 2 0 253.346 -0.663 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)CN(CC[NH3+])CCO)CC1 ZINC000342439516 419749347 /nfs/dbraw/zinc/74/93/47/419749347.db2.gz VXFHJQBNURZAPJ-UHFFFAOYSA-N 2 0 286.420 -0.772 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC[N@@H+]1C ZINC000648136203 419750288 /nfs/dbraw/zinc/75/02/88/419750288.db2.gz GYMDPIUEEJMDMI-HZSPNIEDSA-N 2 0 280.416 -0.167 20 0 CBADRP CC1(OCC(=O)N[C@H]2CC23CC[NH2+]CC3)C[NH2+]C1 ZINC000648140537 419752176 /nfs/dbraw/zinc/75/21/76/419752176.db2.gz YYACGIMTPBYGOR-JTQLQIEISA-N 2 0 253.346 -0.377 20 0 CBADRP CC1(OCC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C[NH2+]C1 ZINC000648141389 419752325 /nfs/dbraw/zinc/75/23/25/419752325.db2.gz GRSZKWSBKGVWGD-GHMZBOCLSA-N 2 0 253.346 -0.425 20 0 CBADRP COCCC1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[NH2+]CC1 ZINC000648140402 419752509 /nfs/dbraw/zinc/75/25/09/419752509.db2.gz RWARDLGITXDNHC-GDNZZTSVSA-N 2 0 267.373 -0.273 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000662857784 419754265 /nfs/dbraw/zinc/75/42/65/419754265.db2.gz PFVQAPZRGKPKMY-TXEJJXNPSA-N 2 0 256.394 -0.277 20 0 CBADRP CC(C)(CCC[NH3+])NC(=O)CN1CCCC[C@@H]([NH3+])C1=O ZINC000648142403 419755077 /nfs/dbraw/zinc/75/50/77/419755077.db2.gz QGCPGMOOJAGCAE-LLVKDONJSA-N 2 0 284.404 -0.040 20 0 CBADRP CC1(OCC(=O)N[C@@H](CC[NH3+])C(F)(F)F)C[NH2+]C1 ZINC000648148375 419759404 /nfs/dbraw/zinc/75/94/04/419759404.db2.gz ARTBCDRPWKSSIV-ZETCQYMHSA-N 2 0 269.267 -0.239 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662875731 419760013 /nfs/dbraw/zinc/76/00/13/419760013.db2.gz MOBZNVHVERBRIT-UHFFFAOYSA-N 2 0 280.416 -0.036 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC3CC2(C[NH3+])C3)CC1=O ZINC000662875351 419760053 /nfs/dbraw/zinc/76/00/53/419760053.db2.gz JHZJHNIMVKZADQ-MQYJIDSJSA-N 2 0 294.399 -0.654 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000662907400 419765791 /nfs/dbraw/zinc/76/57/91/419765791.db2.gz UNYXBKAVLXRRRC-UONOGXRCSA-N 2 0 296.415 -0.739 20 0 CBADRP CC1(OCC(=O)N[C@H](C[NH3+])C2CCCC2)C[NH2+]C1 ZINC000648176931 419766217 /nfs/dbraw/zinc/76/62/17/419766217.db2.gz SXULDYGJTIWJMV-LLVKDONJSA-N 2 0 255.362 -0.001 20 0 CBADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000662908349 419766474 /nfs/dbraw/zinc/76/64/74/419766474.db2.gz SXXHWNWMVVRSIB-STQMWFEESA-N 2 0 268.405 -0.119 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000662906546 419767117 /nfs/dbraw/zinc/76/71/17/419767117.db2.gz NNAODNZCZZCMQN-RYUDHWBXSA-N 2 0 266.389 -0.510 20 0 CBADRP [NH3+]CCOCC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000648176251 419767164 /nfs/dbraw/zinc/76/71/64/419767164.db2.gz AESITDWQJQOHBZ-NWDGAFQWSA-N 2 0 255.362 -0.048 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000662906403 419767768 /nfs/dbraw/zinc/76/77/68/419767768.db2.gz JZSMLKOPPQMYES-OLZOCXBDSA-N 2 0 284.404 -0.755 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000662921648 419774039 /nfs/dbraw/zinc/77/40/39/419774039.db2.gz ARSDOXOMPXSRHC-UHFFFAOYSA-N 2 0 280.416 -0.118 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000662928433 419778621 /nfs/dbraw/zinc/77/86/21/419778621.db2.gz PRDNRFVXKDWBEN-NSHDSACASA-N 2 0 284.404 -0.265 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662938456 419787624 /nfs/dbraw/zinc/78/76/24/419787624.db2.gz GUDXDYIBKWIZQK-UHFFFAOYSA-N 2 0 286.420 -0.018 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000662929463 419781941 /nfs/dbraw/zinc/78/19/41/419781941.db2.gz AYZXQRFODAVWKT-GFCCVEGCSA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)c2cn(CC[NH3+])nn2)[C@H]1C ZINC000662776345 419717736 /nfs/dbraw/zinc/71/77/36/419717736.db2.gz WZVXTMIAHOXTDL-IUCAKERBSA-N 2 0 252.322 -0.941 20 0 CBADRP COC[C@]1(CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CCC[NH2+]1 ZINC000662781231 419719874 /nfs/dbraw/zinc/71/98/74/419719874.db2.gz UFAPEHHZIQRHMC-DMDPSCGWSA-N 2 0 271.361 -0.765 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662777923 419720531 /nfs/dbraw/zinc/72/05/31/419720531.db2.gz IZPKZCAEHRKDNX-DYEKYZERSA-N 2 0 267.373 -0.048 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662787856 419723800 /nfs/dbraw/zinc/72/38/00/419723800.db2.gz UFVMIKUAAAXPBC-HAQNSBGRSA-N 2 0 255.362 -0.096 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000649271785 419858012 /nfs/dbraw/zinc/85/80/12/419858012.db2.gz XVOOCTFBANGPOL-UHFFFAOYSA-N 2 0 256.394 -0.308 20 0 CBADRP [NH3+]CC(=O)NCC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662973101 419800895 /nfs/dbraw/zinc/80/08/95/419800895.db2.gz WJORVZAYOJKILE-UHFFFAOYSA-N 2 0 282.388 -0.701 20 0 CBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CCO1 ZINC000662973573 419801444 /nfs/dbraw/zinc/80/14/44/419801444.db2.gz RPWTZOZAWQOBHV-KBPBESRZSA-N 2 0 299.415 -0.066 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC4CC3(C[NH3+])C4)C[C@@H]21 ZINC000662976870 419805152 /nfs/dbraw/zinc/80/51/52/419805152.db2.gz RJHNOOFFTVBKEY-OOLXCHQQSA-N 2 0 292.383 -0.901 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)C[C@@H]21 ZINC000662994836 419808167 /nfs/dbraw/zinc/80/81/67/419808167.db2.gz ZLBRTYRFSKOCKZ-KKOKHZNYSA-N 2 0 298.362 -0.953 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@]2(C)CC[NH2+]C2)CC1=O ZINC000663010181 419808880 /nfs/dbraw/zinc/80/88/80/419808880.db2.gz IMAVVYVMNXYXPV-FZMZJTMJSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@@]1(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC[NH2+]C1 ZINC000663011741 419810756 /nfs/dbraw/zinc/81/07/56/419810756.db2.gz QVYNSEYZYBJZLG-GXFFZTMASA-N 2 0 278.360 -0.488 20 0 CBADRP CC1(C)CCC[NH2+][C@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663218006 419830047 /nfs/dbraw/zinc/83/00/47/419830047.db2.gz VLNBAKOMUPFYQS-NSHDSACASA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000649076013 419835771 /nfs/dbraw/zinc/83/57/71/419835771.db2.gz OPQQHPCSCXOYMU-NEPJUHHUSA-N 2 0 282.388 -0.341 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000353594871 419839707 /nfs/dbraw/zinc/83/97/07/419839707.db2.gz ZCELLOYTPSILOG-SRVKXCTJSA-N 2 0 284.404 -0.184 20 0 CBADRP C[NH2+]C[C@@H](C)NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000663509610 419841609 /nfs/dbraw/zinc/84/16/09/419841609.db2.gz KTWKMGBSRQDHEM-CQSZACIVSA-N 2 0 284.448 -0.020 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCOC2(C[NH2+]C2)C1)[C@@H](C)[NH3+] ZINC000663493016 419843082 /nfs/dbraw/zinc/84/30/82/419843082.db2.gz ZVTAHBADKKTWFK-GHMZBOCLSA-N 2 0 255.362 -0.193 20 0 CBADRP N[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC[C@H]1F ZINC000663505495 419843907 /nfs/dbraw/zinc/84/39/07/419843907.db2.gz JGMGEHKHSROWIU-IJLUTSLNSA-N 2 0 272.368 -0.445 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCOC2(C[NH2+]C2)C1)[NH+](C)C ZINC000663492118 419844027 /nfs/dbraw/zinc/84/40/27/419844027.db2.gz ZLVGBDUTHHZFKC-NSHDSACASA-N 2 0 255.362 -0.227 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000649271616 419857530 /nfs/dbraw/zinc/85/75/30/419857530.db2.gz OZNQARIAFOBAFM-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP CC[C@@]1(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCC[NH2+]1 ZINC000662946679 419789177 /nfs/dbraw/zinc/78/91/77/419789177.db2.gz XJURFGZMJHPGMW-ZDUSSCGKSA-N 2 0 279.344 -0.211 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662946000 419789237 /nfs/dbraw/zinc/78/92/37/419789237.db2.gz YPIJMGCMCWFFQW-CHWSQXEVSA-N 2 0 286.395 -0.088 20 0 CBADRP C[C@]1(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCC[NH2+]C1 ZINC000662946275 419789845 /nfs/dbraw/zinc/78/98/45/419789845.db2.gz QFEDENBQXADESW-ZDUSSCGKSA-N 2 0 279.344 -0.353 20 0 CBADRP C[C@@]1(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCC[NH2+]C1 ZINC000662946274 419790289 /nfs/dbraw/zinc/79/02/89/419790289.db2.gz QFEDENBQXADESW-CYBMUJFWSA-N 2 0 279.344 -0.353 20 0 CBADRP CC1(C)CC[NH2+][C@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662947458 419790867 /nfs/dbraw/zinc/79/08/67/419790867.db2.gz QVDBAEQUCYOPFL-NSHDSACASA-N 2 0 279.344 -0.355 20 0 CBADRP C[C@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@H]1[NH3+] ZINC000347057379 419794776 /nfs/dbraw/zinc/79/47/76/419794776.db2.gz VYUDCKMYQNKYSP-GXSJLCMTSA-N 2 0 266.345 -0.747 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000662968111 419797123 /nfs/dbraw/zinc/79/71/23/419797123.db2.gz SAUVLTAGUKKUPQ-VHSXEESVSA-N 2 0 266.349 -0.460 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000662968112 419797374 /nfs/dbraw/zinc/79/73/74/419797374.db2.gz SAUVLTAGUKKUPQ-ZJUUUORDSA-N 2 0 266.349 -0.460 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CCO1 ZINC000662971520 419799047 /nfs/dbraw/zinc/79/90/47/419799047.db2.gz BDVHWXPNVDUBJE-KGLIPLIRSA-N 2 0 299.415 -0.066 20 0 CBADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649293114 419866667 /nfs/dbraw/zinc/86/66/67/419866667.db2.gz ACASIXQXUJFOHS-RTXFEEFZSA-N 2 0 267.373 -0.300 20 0 CBADRP C[C@H](CCNC(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+](C)C ZINC000664082228 419879162 /nfs/dbraw/zinc/87/91/62/419879162.db2.gz ACOLMKMNFUVCQO-OLZOCXBDSA-N 2 0 285.436 -0.128 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649314152 419879989 /nfs/dbraw/zinc/87/99/89/419879989.db2.gz OYGDFJJTMCCFOP-SNVBAGLBSA-N 2 0 279.331 -0.074 20 0 CBADRP C[C@@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000649314752 419880095 /nfs/dbraw/zinc/88/00/95/419880095.db2.gz OFRDMLYWOPZRDF-DGCLKSJQSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000649322899 419881094 /nfs/dbraw/zinc/88/10/94/419881094.db2.gz UYTADTHAMZJLBF-OCCSQVGLSA-N 2 0 296.415 -0.314 20 0 CBADRP [NH3+]CCOCC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000649321074 419882630 /nfs/dbraw/zinc/88/26/30/419882630.db2.gz KZDDUQKMOIORRE-NWDGAFQWSA-N 2 0 271.361 -0.981 20 0 CBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000649321264 419883247 /nfs/dbraw/zinc/88/32/47/419883247.db2.gz QQFUQRMQWSFNCT-MEBFFEOJSA-N 2 0 279.384 -0.491 20 0 CBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C3([NH3+])CC3)C2)CC1 ZINC000649334034 419892302 /nfs/dbraw/zinc/89/23/02/419892302.db2.gz CYNRKPWKWJINIM-NSHDSACASA-N 2 0 266.389 -0.238 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649280791 419862390 /nfs/dbraw/zinc/86/23/90/419862390.db2.gz LUWHDKAIUAXDEC-MQYQWHSLSA-N 2 0 281.400 -0.075 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000666923989 544651085 /nfs/dbraw/zinc/65/10/85/544651085.db2.gz WJUDCGLLQYRVDM-GXTWGEPZSA-N 2 0 284.404 -0.164 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000649349367 419899199 /nfs/dbraw/zinc/89/91/99/419899199.db2.gz DBRUUPBTMBNVQT-GFCCVEGCSA-N 2 0 268.405 -0.262 20 0 CBADRP O[C@@H]1CN(Cc2ccnn2-c2cc[nH+]cc2)C[C@@H]1O ZINC000667648932 544669252 /nfs/dbraw/zinc/66/92/52/544669252.db2.gz DVSBXRDZQIEMDO-BETUJISGSA-N 2 0 260.297 -0.195 20 0 CBADRP CCC[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[N@@H+]1CCOC ZINC000649379159 419906984 /nfs/dbraw/zinc/90/69/84/419906984.db2.gz OCMXOENZMMNAAD-ZIAGYGMSSA-N 2 0 299.415 -0.066 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649350650 419904125 /nfs/dbraw/zinc/90/41/25/419904125.db2.gz WKXAWUHEMMRVBB-WDNDVIMCSA-N 2 0 280.416 -0.404 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000649357585 419904608 /nfs/dbraw/zinc/90/46/08/419904608.db2.gz UHUZOWNZSVIQHM-CYBMUJFWSA-N 2 0 268.405 -0.118 20 0 CBADRP C[C@H](CNC(=O)COC1(C)C[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000649351390 419904905 /nfs/dbraw/zinc/90/49/05/419904905.db2.gz TWKBOAODVQDQQX-CYBMUJFWSA-N 2 0 298.431 -0.635 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649352903 419905237 /nfs/dbraw/zinc/90/52/37/419905237.db2.gz SVJWFGUWFOEEAU-QWRGUYRKSA-N 2 0 290.358 -0.407 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000649412543 419909161 /nfs/dbraw/zinc/90/91/61/419909161.db2.gz RYCOACAIRQMJME-CQSZACIVSA-N 2 0 280.416 -0.164 20 0 CBADRP C(C[N@@H+]1CC[C@@H](CN2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000649413785 419909216 /nfs/dbraw/zinc/90/92/16/419909216.db2.gz DKEIFJFRVILNSA-OAHLLOKOSA-N 2 0 282.432 -0.454 20 0 CBADRP Cn1cc(CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn1 ZINC000668302223 544691556 /nfs/dbraw/zinc/69/15/56/544691556.db2.gz BZFUNHIFDVNGPP-UHFFFAOYSA-N 2 0 296.419 -0.301 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000358674016 419911974 /nfs/dbraw/zinc/91/19/74/419911974.db2.gz BNRJJRQEHGOQMH-IPYPFGDCSA-N 2 0 296.415 -0.021 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000358674586 419913500 /nfs/dbraw/zinc/91/35/00/419913500.db2.gz BNRJJRQEHGOQMH-YDHLFZDLSA-N 2 0 296.415 -0.021 20 0 CBADRP [NH3+]C1(C(=O)N2CCOC3(C[NH2+]C3)C2)CC2(CCC2)C1 ZINC000664728444 419913893 /nfs/dbraw/zinc/91/38/93/419913893.db2.gz XQLIBMGDXZOJFT-UHFFFAOYSA-N 2 0 265.357 -0.151 20 0 CBADRP C[C@H]1CC[NH2+][C@@H](C(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000664727829 419915033 /nfs/dbraw/zinc/91/50/33/419915033.db2.gz QZJFIRVAWVVUTH-WDEREUQCSA-N 2 0 253.346 -0.425 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCNC1=O ZINC000668666162 544713993 /nfs/dbraw/zinc/71/39/93/544713993.db2.gz DGOLGGQQABJYNV-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CC1)N1CC[NH+](C)CC1 ZINC000668694459 544717320 /nfs/dbraw/zinc/71/73/20/544717320.db2.gz AQENVZGVTYJOLY-LBPRGKRZSA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@@H]1[C@H](O)CCN1CC(O)C[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000664779161 419915796 /nfs/dbraw/zinc/91/57/96/419915796.db2.gz YUUKNEVAGRMLJD-FPQZTECRSA-N 2 0 258.362 -0.743 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000669403282 544749094 /nfs/dbraw/zinc/74/90/94/544749094.db2.gz RHVSDZIJFZFPIS-QJPTWQEYSA-N 2 0 270.377 -0.162 20 0 CBADRP CN1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)[C@H](C[NH3+])C1 ZINC000669491022 544750186 /nfs/dbraw/zinc/75/01/86/544750186.db2.gz IPBUOFCTNFIDHQ-UONOGXRCSA-N 2 0 295.431 -0.245 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000669509361 544751834 /nfs/dbraw/zinc/75/18/34/544751834.db2.gz PAZBRORYPMNNSM-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C[C@H](C)[N@H+]1C ZINC000358713756 419916432 /nfs/dbraw/zinc/91/64/32/419916432.db2.gz SDAWPGJKSPKJEC-HZSPNIEDSA-N 2 0 280.416 -0.073 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000671816898 544834002 /nfs/dbraw/zinc/83/40/02/544834002.db2.gz MVZFOTYIYUZPMS-NWDGAFQWSA-N 2 0 294.399 -0.450 20 0 CBADRP C[NH+](C)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000671817258 544834470 /nfs/dbraw/zinc/83/44/70/544834470.db2.gz KLTNCGDFPLTIQS-YPMHNXCESA-N 2 0 294.399 -0.498 20 0 CBADRP COC[C@H](CCC[NH3+])[NH2+]CCCN(C)S(C)(=O)=O ZINC000665230247 419937255 /nfs/dbraw/zinc/93/72/55/419937255.db2.gz LSGMLOOAZFAPEG-NSHDSACASA-N 2 0 281.422 -0.389 20 0 CBADRP CN(CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+])S(C)(=O)=O ZINC000665230990 419937666 /nfs/dbraw/zinc/93/76/66/419937666.db2.gz ZVPYGCBQMDKENE-MNOVXSKESA-N 2 0 263.407 -0.015 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[N@H+](C)CC1 ZINC000359012881 419938597 /nfs/dbraw/zinc/93/85/97/419938597.db2.gz PEQHBEWJLBTSFK-CQSZACIVSA-N 2 0 297.447 -0.031 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)CCOC1C[NH2+]C1 ZINC000359196666 419947266 /nfs/dbraw/zinc/94/72/66/419947266.db2.gz MEYPJUCUEILSPO-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP COC1CC[NH+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000359205369 419949761 /nfs/dbraw/zinc/94/97/61/419949761.db2.gz KBNIPMDGARGABO-LBPRGKRZSA-N 2 0 283.372 -0.214 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+](C)C ZINC000359228955 419951982 /nfs/dbraw/zinc/95/19/82/419951982.db2.gz JOJXLOUZUDFIDP-NWDGAFQWSA-N 2 0 256.394 -0.311 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](O)C2)C1 ZINC000650725217 419967075 /nfs/dbraw/zinc/96/70/75/419967075.db2.gz VYIPXOBKNVOLIK-VXGBXAGGSA-N 2 0 255.362 -0.360 20 0 CBADRP CCn1ccnc1CNC(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000651131334 419986923 /nfs/dbraw/zinc/98/69/23/419986923.db2.gz MXHHTJCBQZCXJC-GFCCVEGCSA-N 2 0 293.371 -0.137 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@](C)(O)CN1CCOCC1 ZINC000359807061 419989293 /nfs/dbraw/zinc/98/92/93/419989293.db2.gz RGQIBRSDACEUKU-AWEZNQCLSA-N 2 0 287.404 -0.472 20 0 CBADRP CCN1CCO[C@H](C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000360223929 420011355 /nfs/dbraw/zinc/01/13/55/420011355.db2.gz CTTYVLOERNKSRD-KGLIPLIRSA-N 2 0 298.431 -0.541 20 0 CBADRP CCO[C@@H]1CN(C(=O)NCCC[NH2+]C)C[C@H]1C[NH3+] ZINC000652200168 420049824 /nfs/dbraw/zinc/04/98/24/420049824.db2.gz REQPLPPAHKRWSZ-GHMZBOCLSA-N 2 0 258.366 -0.399 20 0 CBADRP CCO[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000652204848 420051591 /nfs/dbraw/zinc/05/15/91/420051591.db2.gz FIKXIVBDVQCXHQ-OUAUKWLOSA-N 2 0 256.350 -0.647 20 0 CBADRP [NH3+]CC1(CCNC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000652201657 420051821 /nfs/dbraw/zinc/05/18/21/420051821.db2.gz MEQCDVLGQWEUAN-UHFFFAOYSA-N 2 0 269.393 -0.680 20 0 CBADRP CCO[C@@H]1CN(C(=O)NC/C=C\C[NH3+])C[C@H]1C[NH3+] ZINC000652219772 420052267 /nfs/dbraw/zinc/05/22/67/420052267.db2.gz LJPRRKYNNYMJPT-ANDSXOESSA-N 2 0 256.350 -0.494 20 0 CBADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)N[C@@H]1[C@H]3C[NH2+]C[C@H]31)C2 ZINC000652220815 420053042 /nfs/dbraw/zinc/05/30/42/420053042.db2.gz KGWCZMZRERQFBW-ROEYZRMQSA-N 2 0 264.373 -0.025 20 0 CBADRP C[NH+]1CCC(O)(CNC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652240667 420054259 /nfs/dbraw/zinc/05/42/59/420054259.db2.gz KLXSRBZRTLVKLZ-UHFFFAOYSA-N 2 0 284.404 -0.129 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000365329913 420061620 /nfs/dbraw/zinc/06/16/20/420061620.db2.gz JNGOSWBUICJCFQ-ZDEQEGDKSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000365329911 420062170 /nfs/dbraw/zinc/06/21/70/420062170.db2.gz JNGOSWBUICJCFQ-FVCCEPFGSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@@H](C)O1 ZINC000365332437 420062355 /nfs/dbraw/zinc/06/23/55/420062355.db2.gz SRVPZLWWEVTWGY-FVCCEPFGSA-N 2 0 285.388 -0.675 20 0 CBADRP [NH3+]CC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653044175 420108128 /nfs/dbraw/zinc/10/81/28/420108128.db2.gz VTNNUEQZPPJIEC-AAEUAGOBSA-N 2 0 253.346 -0.580 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653043308 420109177 /nfs/dbraw/zinc/10/91/77/420109177.db2.gz NFBSHPBDXFTMLG-ZIAGYGMSSA-N 2 0 280.416 -0.072 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653045784 420109881 /nfs/dbraw/zinc/10/98/81/420109881.db2.gz LPKAKROFISGMMY-NWDGAFQWSA-N 2 0 282.388 -0.606 20 0 CBADRP CCCN(C(=O)[C@H](N)CC[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000653049148 420109931 /nfs/dbraw/zinc/10/99/31/420109931.db2.gz WEWLSSCOJLKSKT-VXGBXAGGSA-N 2 0 256.394 -0.134 20 0 CBADRP O=C(NC[C@H]1CCCC[NH2+]1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653046213 420110488 /nfs/dbraw/zinc/11/04/88/420110488.db2.gz OIKPSODFHURNAF-LOWVWBTDSA-N 2 0 253.346 -0.519 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000653052459 420111456 /nfs/dbraw/zinc/11/14/56/420111456.db2.gz GEKUQMOOEWKWIO-SRVKXCTJSA-N 2 0 256.394 -0.101 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000367652697 420112155 /nfs/dbraw/zinc/11/21/55/420112155.db2.gz GVUKBLXUSAWRBE-LBPRGKRZSA-N 2 0 273.377 -0.551 20 0 CBADRP C[C@H](CNC(=O)[C@H](N)CC[NH+](C)C)Cn1cccn1 ZINC000653073250 420112636 /nfs/dbraw/zinc/11/26/36/420112636.db2.gz WYHUKKOLKGMWMC-VXGBXAGGSA-N 2 0 267.377 -0.086 20 0 CBADRP C[C@@H](NC(=O)[C@@H](N)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC000653078217 420113309 /nfs/dbraw/zinc/11/33/09/420113309.db2.gz ZOVGTQFAALBURX-ZJUUUORDSA-N 2 0 272.393 -0.315 20 0 CBADRP CC(C)CN(CC(N)=O)C(=O)[C@H](N)CC[NH+](C)C ZINC000653071439 420113603 /nfs/dbraw/zinc/11/36/03/420113603.db2.gz HUCFWISPGVZFAI-SNVBAGLBSA-N 2 0 258.366 -0.765 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](N)CC[NH+](C)C ZINC000653105145 420115872 /nfs/dbraw/zinc/11/58/72/420115872.db2.gz HSVWKIDIQVPUAN-NWDGAFQWSA-N 2 0 256.394 -0.134 20 0 CBADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653110421 420115928 /nfs/dbraw/zinc/11/59/28/420115928.db2.gz IFZQUBOIUHXKAZ-XUJVJEKNSA-N 2 0 279.384 -0.177 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC000653108434 420115956 /nfs/dbraw/zinc/11/59/56/420115956.db2.gz XLMFRBVYJYKDDS-LBPRGKRZSA-N 2 0 256.394 -0.182 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000653110692 420116459 /nfs/dbraw/zinc/11/64/59/420116459.db2.gz QUAMFLWHUGLTBN-YPMHNXCESA-N 2 0 288.461 -0.181 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653105807 420117070 /nfs/dbraw/zinc/11/70/70/420117070.db2.gz KKDOLEMWRPXEGE-FZMZJTMJSA-N 2 0 267.373 -0.177 20 0 CBADRP C[NH+](C)[C@@]1(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCSC1 ZINC000653110654 420117231 /nfs/dbraw/zinc/11/72/31/420117231.db2.gz PQAVFXSIESFUBY-YUTCNCBUSA-N 2 0 299.440 -0.224 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653110428 420117422 /nfs/dbraw/zinc/11/74/22/420117422.db2.gz IJZJZSFNFBWFBL-XPCVCDNBSA-N 2 0 279.384 -0.035 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000653115199 420118517 /nfs/dbraw/zinc/11/85/17/420118517.db2.gz GNVFCOTVUKYMLQ-OLZOCXBDSA-N 2 0 268.405 -0.038 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653122252 420119606 /nfs/dbraw/zinc/11/96/06/420119606.db2.gz RKGZKOFWNKHRGY-DYEKYZERSA-N 2 0 267.373 -0.320 20 0 CBADRP CN(C(=O)[C@H](N)CC[NH+](C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000653117131 420119855 /nfs/dbraw/zinc/11/98/55/420119855.db2.gz AMXHAPOYZXQDAN-QWHCGFSZSA-N 2 0 268.405 -0.040 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H](N)CC[NH+](C)C ZINC000653124016 420119883 /nfs/dbraw/zinc/11/98/83/420119883.db2.gz OEZWCFQYPYOEGY-RAIGVLPGSA-N 2 0 268.405 -0.136 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653116824 420120344 /nfs/dbraw/zinc/12/03/44/420120344.db2.gz VDHBHXYCATYHIM-YDHLFZDLSA-N 2 0 297.399 -0.551 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653124015 420120398 /nfs/dbraw/zinc/12/03/98/420120398.db2.gz OEZWCFQYPYOEGY-KGYLQXTDSA-N 2 0 268.405 -0.136 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653137002 420121481 /nfs/dbraw/zinc/12/14/81/420121481.db2.gz ZDRJREAADICBFO-OBJOEFQTSA-N 2 0 267.373 -0.190 20 0 CBADRP CC1([NH3+])CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653132914 420121487 /nfs/dbraw/zinc/12/14/87/420121487.db2.gz LKJCTBNHPSGRIP-GWCFXTLKSA-N 2 0 253.346 -0.438 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653139643 420121949 /nfs/dbraw/zinc/12/19/49/420121949.db2.gz PIJQSPAUHTZLBM-WISYIIOYSA-N 2 0 256.394 -0.232 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H](N)CC[NH+](C)C ZINC000653139641 420122050 /nfs/dbraw/zinc/12/20/50/420122050.db2.gz PIJQSPAUHTZLBM-DDHJBXDOSA-N 2 0 256.394 -0.232 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)C(F)F ZINC000653144754 420122860 /nfs/dbraw/zinc/12/28/60/420122860.db2.gz BCGVUJUATMSLGW-LAEOZQHASA-N 2 0 263.288 -0.679 20 0 CBADRP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653145771 420123045 /nfs/dbraw/zinc/12/30/45/420123045.db2.gz LFPWOMOUZIKAOV-OBJOEFQTSA-N 2 0 267.373 -0.129 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC000653147784 420123183 /nfs/dbraw/zinc/12/31/83/420123183.db2.gz AAMKAGRGMULHFU-CYBMUJFWSA-N 2 0 286.420 -0.554 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653142809 420123332 /nfs/dbraw/zinc/12/33/32/420123332.db2.gz XPUVMVYNQMODIR-GMOBBJLQSA-N 2 0 257.309 -0.961 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000653147196 420123439 /nfs/dbraw/zinc/12/34/39/420123439.db2.gz SVDIRYAUFWXBFH-NWDGAFQWSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368115612 420123914 /nfs/dbraw/zinc/12/39/14/420123914.db2.gz OSEHNZBFGASTRL-WUHRBBMRSA-N 2 0 267.373 -0.681 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368115609 420124422 /nfs/dbraw/zinc/12/44/22/420124422.db2.gz OSEHNZBFGASTRL-RVMXOQNASA-N 2 0 267.373 -0.681 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000368191808 420124813 /nfs/dbraw/zinc/12/48/13/420124813.db2.gz CDYFRVAUVGSVQZ-RWMBFGLXSA-N 2 0 294.399 -0.783 20 0 CBADRP [NH3+]CC1(CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653222662 420127456 /nfs/dbraw/zinc/12/74/56/420127456.db2.gz KNNWRXZJWJEJPP-GWCFXTLKSA-N 2 0 253.346 -0.532 20 0 CBADRP COCC[NH2+]CC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653198435 420128116 /nfs/dbraw/zinc/12/81/16/420128116.db2.gz ZFDSQCDOSYIFIS-AAEUAGOBSA-N 2 0 255.362 -0.190 20 0 CBADRP CCO[C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)C[C@H]1C[NH3+] ZINC000653247724 420129808 /nfs/dbraw/zinc/12/98/08/420129808.db2.gz OJIQVPBHAYOPQJ-IJLUTSLNSA-N 2 0 271.361 -0.813 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000653247747 420129836 /nfs/dbraw/zinc/12/98/36/420129836.db2.gz PTHMKLYMWHIAJD-NQBHXWOUSA-N 2 0 255.362 -0.049 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H](N)CC[NH+](C)C)C[C@H]1C[NH3+] ZINC000653249248 420132650 /nfs/dbraw/zinc/13/26/50/420132650.db2.gz UBOXFSZUTXIQPR-GRYCIOLGSA-N 2 0 272.393 -0.912 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NCCC1CC[NH2+]CC1 ZINC000653272308 420133997 /nfs/dbraw/zinc/13/39/97/420133997.db2.gz IFSKMOJXRRYNHH-GFCCVEGCSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCC1CC[NH2+]CC1 ZINC000653272725 420134189 /nfs/dbraw/zinc/13/41/89/420134189.db2.gz ZYNDOUGOUUZUJO-GFCCVEGCSA-N 2 0 282.388 -0.640 20 0 CBADRP C[NH+](C)CCCN1C(=O)C[C@H]([NH2+]C2CCOCC2)C1=O ZINC000653283941 420137226 /nfs/dbraw/zinc/13/72/26/420137226.db2.gz UAPRQBCMIIEQSV-LBPRGKRZSA-N 2 0 283.372 -0.166 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NCCC1CC[NH2+]CC1)C1CC1 ZINC000652675478 420070597 /nfs/dbraw/zinc/07/05/97/420070597.db2.gz YCCCWARYYUEABS-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NCCC2(C[NH3+])CC2)CCC1 ZINC000652679433 420072126 /nfs/dbraw/zinc/07/21/26/420072126.db2.gz FUAIJROYBWHSQB-UHFFFAOYSA-N 2 0 296.415 -0.168 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCC1C[NH2+]C1 ZINC000652698049 420073334 /nfs/dbraw/zinc/07/33/34/420073334.db2.gz UHIUTPXVBSCPJA-UHFFFAOYSA-N 2 0 284.404 -0.584 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000652696560 420073836 /nfs/dbraw/zinc/07/38/36/420073836.db2.gz MUURCSQCACGKSB-NSHDSACASA-N 2 0 272.393 -0.456 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000652706135 420075066 /nfs/dbraw/zinc/07/50/66/420075066.db2.gz VWTOTFPBXXRFTG-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@H]1CCCCC[NH2+]1 ZINC000368749372 420141307 /nfs/dbraw/zinc/14/13/07/420141307.db2.gz DAJMZQGAWMSLIS-GFCCVEGCSA-N 2 0 254.378 -0.460 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653348042 420141306 /nfs/dbraw/zinc/14/13/06/420141306.db2.gz ZPQBBXSEZXESFS-OBJOEFQTSA-N 2 0 267.373 -0.368 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652732467 420078997 /nfs/dbraw/zinc/07/89/97/420078997.db2.gz LREXQLXNOBXQGY-UHFFFAOYSA-N 2 0 270.377 -0.652 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)C1(n2cccn2)CC[NH2+]CC1 ZINC000366555811 420088654 /nfs/dbraw/zinc/08/86/54/420088654.db2.gz NPHXFOITZQJLBZ-RYUDHWBXSA-N 2 0 295.362 -0.222 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@]2(F)CC[NH2+]C2)n1 ZINC000372106348 420191712 /nfs/dbraw/zinc/19/17/12/420191712.db2.gz YSMZWPDZFDCJGO-LBPRGKRZSA-N 2 0 269.324 0.085 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000388502734 420204284 /nfs/dbraw/zinc/20/42/84/420204284.db2.gz HPACNBVQCDCKHO-NEPJUHHUSA-N 2 0 291.417 -0.669 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000389716218 420204473 /nfs/dbraw/zinc/20/44/73/420204473.db2.gz JEMQJTMDWCESNO-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP C[NH2+][C@@H](C)c1cn(C[C@H](O)C[N@H+](C)CCOC)nn1 ZINC000388647227 420205560 /nfs/dbraw/zinc/20/55/60/420205560.db2.gz YUTCKWZHKNZVFU-WDEREUQCSA-N 2 0 271.365 -0.502 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396486005 420213504 /nfs/dbraw/zinc/21/35/04/420213504.db2.gz JTBVEAHRRJYBQG-RISCZKNCSA-N 2 0 298.431 -0.068 20 0 CBADRP C[N@@H+]1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CC1(C)C ZINC000655051745 420213517 /nfs/dbraw/zinc/21/35/17/420213517.db2.gz HHFVDCUAUQEMDR-CYBMUJFWSA-N 2 0 280.416 -0.071 20 0 CBADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1C[NH3+] ZINC000397248496 420214703 /nfs/dbraw/zinc/21/47/03/420214703.db2.gz BSECIBNWLWCBTO-UTUOFQBUSA-N 2 0 294.399 -0.111 20 0 CBADRP [NH2+]=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCOCC1 ZINC000369018281 420148637 /nfs/dbraw/zinc/14/86/37/420148637.db2.gz WXFRUCXNSUGBBS-VXGBXAGGSA-N 2 0 268.361 -0.294 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000653542038 420148949 /nfs/dbraw/zinc/14/89/49/420148949.db2.gz DKRNQNAYSUFCKG-KKUMJFAQSA-N 2 0 285.432 -0.170 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[N@H+](C)CC2)CC1=O ZINC000369936765 420170000 /nfs/dbraw/zinc/17/00/00/420170000.db2.gz NCFUHXKKFWOFNX-ZDUSSCGKSA-N 2 0 296.415 -0.439 20 0 CBADRP CN(C)S(=O)(=O)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400982836 420223081 /nfs/dbraw/zinc/22/30/81/420223081.db2.gz UZZSTJYAESHPFY-QJPTWQEYSA-N 2 0 275.418 -0.145 20 0 CBADRP CCN(CCNC(=O)[C@H](C)[NH+](C)C)C(=O)[C@H](C)[NH+](C)C ZINC000673034134 544868478 /nfs/dbraw/zinc/86/84/78/544868478.db2.gz AEQOKENHDMXEPM-RYUDHWBXSA-N 2 0 286.420 -0.149 20 0 CBADRP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000404977121 420225494 /nfs/dbraw/zinc/22/54/94/420225494.db2.gz ZYBOQDABZQLGIS-VXGBXAGGSA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+](C)C[C@H]1CCCCN1C(=O)CN1CC[NH2+]CC1 ZINC000405006925 420226088 /nfs/dbraw/zinc/22/60/88/420226088.db2.gz BXGKUYUKMTUDLN-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP CCO[C@@H]1CN([C@@H](C)C(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000405832365 420228234 /nfs/dbraw/zinc/22/82/34/420228234.db2.gz BJDIJRAZBWEZHB-HOSYDEDBSA-N 2 0 255.362 -0.051 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655295969 420237833 /nfs/dbraw/zinc/23/78/33/420237833.db2.gz RTGLCSJSMWNFSQ-YNEHKIRRSA-N 2 0 267.373 -0.252 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655295152 420238808 /nfs/dbraw/zinc/23/88/08/420238808.db2.gz URZRGXZIENWHRI-RWMBFGLXSA-N 2 0 267.373 -0.394 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000415209364 420240162 /nfs/dbraw/zinc/24/01/62/420240162.db2.gz GUEZIRQSGLAOIW-LLVKDONJSA-N 2 0 282.392 0.550 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000415209445 420240603 /nfs/dbraw/zinc/24/06/03/420240603.db2.gz GVPLEBRBBFNFEW-LLVKDONJSA-N 2 0 282.392 0.564 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)CC[NH3+] ZINC000418931086 420242892 /nfs/dbraw/zinc/24/28/92/420242892.db2.gz GPLLTMDNEITUQZ-SNVBAGLBSA-N 2 0 258.366 -0.750 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000418955937 420242987 /nfs/dbraw/zinc/24/29/87/420242987.db2.gz YRXNJWTUUGESKV-GRYCIOLGSA-N 2 0 284.404 -0.362 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000419018930 420243727 /nfs/dbraw/zinc/24/37/27/420243727.db2.gz CWJSEIRSCAHGGD-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCC[NH3+] ZINC000418949201 420243796 /nfs/dbraw/zinc/24/37/96/420243796.db2.gz RKQLUXXOLFKTNK-JTQLQIEISA-N 2 0 258.366 -0.702 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000418990504 420244215 /nfs/dbraw/zinc/24/42/15/420244215.db2.gz CUAOWIRLZDZKSN-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000418953563 420244286 /nfs/dbraw/zinc/24/42/86/420244286.db2.gz WRHLIKUYZPSNLY-NEPJUHHUSA-N 2 0 286.420 -0.053 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000419553936 420244995 /nfs/dbraw/zinc/24/49/95/420244995.db2.gz ZBWODMARACDTPD-LLVKDONJSA-N 2 0 286.420 -0.243 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[N@H+](C)C1CC1 ZINC000419593589 420245200 /nfs/dbraw/zinc/24/52/00/420245200.db2.gz SWONVFZZQQDSIX-UTUOFQBUSA-N 2 0 296.415 -0.206 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419836372 420245720 /nfs/dbraw/zinc/24/57/20/420245720.db2.gz BMNXUVMQRHSYGL-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655413422 420245840 /nfs/dbraw/zinc/24/58/40/420245840.db2.gz ZAJFHRGWUVWECH-WFASDCNBSA-N 2 0 294.399 -0.734 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655413420 420245876 /nfs/dbraw/zinc/24/58/76/420245876.db2.gz ZAJFHRGWUVWECH-IUODEOHRSA-N 2 0 294.399 -0.734 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655411768 420245899 /nfs/dbraw/zinc/24/58/99/420245899.db2.gz WNOFYBXWNCIITM-DZGCQCFKSA-N 2 0 280.416 -0.212 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655413419 420246366 /nfs/dbraw/zinc/24/63/66/420246366.db2.gz ZAJFHRGWUVWECH-DOMZBBRYSA-N 2 0 294.399 -0.734 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419898254 420247515 /nfs/dbraw/zinc/24/75/15/420247515.db2.gz WPMIGBPEEAKIKS-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419887556 420247626 /nfs/dbraw/zinc/24/76/26/420247626.db2.gz QPPNKEBWVFSVRR-FRRDWIJNSA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000419987126 420247840 /nfs/dbraw/zinc/24/78/40/420247840.db2.gz CYJXUGFZEPWYOE-NEPJUHHUSA-N 2 0 284.404 -0.219 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419892186 420247924 /nfs/dbraw/zinc/24/79/24/420247924.db2.gz JBNJCHZEVKUFKF-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000420079261 420248146 /nfs/dbraw/zinc/24/81/46/420248146.db2.gz PUEPLFXZHJAPSM-LLVKDONJSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CCO1 ZINC000655418638 420248565 /nfs/dbraw/zinc/24/85/65/420248565.db2.gz CMEIULVPBBQQQY-KZVDOYCCSA-N 2 0 267.373 -0.049 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655451054 420249597 /nfs/dbraw/zinc/24/95/97/420249597.db2.gz AEBAZCBOOZDQJL-WCQYABFASA-N 2 0 255.362 -0.272 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000420176771 420250006 /nfs/dbraw/zinc/25/00/06/420250006.db2.gz XOCHEWGVCLPUFH-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655449465 420250364 /nfs/dbraw/zinc/25/03/64/420250364.db2.gz HIFAUOKMUYAEEA-HIFRSBDPSA-N 2 0 280.416 -0.260 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000422891015 420254062 /nfs/dbraw/zinc/25/40/62/420254062.db2.gz UJOJDUJXWUVCEB-FRRDWIJNSA-N 2 0 268.405 -0.086 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000655488454 420254788 /nfs/dbraw/zinc/25/47/88/420254788.db2.gz AFFGNEIQHMZZJL-SDDRHHMPSA-N 2 0 255.362 -0.179 20 0 CBADRP [NH3+]C[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)C(F)(F)F ZINC000655505302 420258956 /nfs/dbraw/zinc/25/89/56/420258956.db2.gz VUOWMTUTAAIHFI-RQJHMYQMSA-N 2 0 255.240 -0.629 20 0 CBADRP COC1(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC[NH2+]CC1 ZINC000655505214 420259963 /nfs/dbraw/zinc/25/99/63/420259963.db2.gz SNOUSNPQOJZINH-SSDOTTSWSA-N 2 0 269.267 -0.239 20 0 CBADRP COC[C@@]1(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC[NH2+]C1 ZINC000655518658 420261067 /nfs/dbraw/zinc/26/10/67/420261067.db2.gz JBUKFESAOPYIAK-VXNVDRBHSA-N 2 0 269.267 -0.382 20 0 CBADRP [NH3+]C[C@H](NC(=O)CN1CCCC[C@H]([NH3+])C1=O)C(F)(F)F ZINC000655518626 420262002 /nfs/dbraw/zinc/26/20/02/420262002.db2.gz IMXGGKSCRVCNDJ-YUMQZZPRSA-N 2 0 296.293 -0.668 20 0 CBADRP CN(C)S(=O)(=O)CCC[NH+]1CCC(C[NH3+])CC1 ZINC000430609445 420272156 /nfs/dbraw/zinc/27/21/56/420272156.db2.gz HXSWFIMQNXUKCI-UHFFFAOYSA-N 2 0 263.407 -0.061 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000430710418 420272960 /nfs/dbraw/zinc/27/29/60/420272960.db2.gz AMZOCTDKQGEPDD-STQMWFEESA-N 2 0 285.388 -0.408 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000655961292 420283569 /nfs/dbraw/zinc/28/35/69/420283569.db2.gz MKQZKKLDIDRSFM-OKILXGFUSA-N 2 0 297.447 -0.079 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655968091 420284453 /nfs/dbraw/zinc/28/44/53/420284453.db2.gz MCDWOASKZYETJM-VPOLOUISSA-N 2 0 256.350 -0.818 20 0 CBADRP C[C@H](CCCC[NH3+])NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655968001 420285446 /nfs/dbraw/zinc/28/54/46/420285446.db2.gz KNFOIKDRGBGMOS-FRRDWIJNSA-N 2 0 284.404 -0.036 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655965510 420285507 /nfs/dbraw/zinc/28/55/07/420285507.db2.gz FJYJPHAEHHDART-YVECIDJPSA-N 2 0 282.388 -0.555 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000655969180 420285762 /nfs/dbraw/zinc/28/57/62/420285762.db2.gz GENWWWFDLJBFQA-TUAOUCFPSA-N 2 0 270.377 -0.386 20 0 CBADRP COC(=O)N1CC(NC[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000496791142 420327449 /nfs/dbraw/zinc/32/74/49/420327449.db2.gz DVKRBPLPPRNWIA-NSHDSACASA-N 2 0 257.334 -0.518 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000673517874 544876146 /nfs/dbraw/zinc/87/61/46/544876146.db2.gz XVIHKRFPEGLKFV-STQMWFEESA-N 2 0 269.389 -0.006 20 0 CBADRP CCC[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)OC ZINC000516762504 420364055 /nfs/dbraw/zinc/36/40/55/420364055.db2.gz CCTXJVRJFAJPDD-UONOGXRCSA-N 2 0 273.421 -0.001 20 0 CBADRP CS(=O)(=O)NCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657332332 420353451 /nfs/dbraw/zinc/35/34/51/420353451.db2.gz HXNBFDDOBPSYFL-UHFFFAOYSA-N 2 0 295.368 -0.094 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656019814 420293019 /nfs/dbraw/zinc/29/30/19/420293019.db2.gz KBRNBIDAERYCPM-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656063009 420296664 /nfs/dbraw/zinc/29/66/64/420296664.db2.gz VIATYHOYRKADEK-BETUJISGSA-N 2 0 298.431 -0.147 20 0 CBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000656102817 420298580 /nfs/dbraw/zinc/29/85/80/420298580.db2.gz PGTBMOXXIBYAJQ-LBPRGKRZSA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000516980191 420370656 /nfs/dbraw/zinc/37/06/56/420370656.db2.gz VQRQLXKIYOBCDA-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H](CNC(=O)N(C)CCC[NH3+])C[NH+]1CCN(C)CC1 ZINC000517042297 420371558 /nfs/dbraw/zinc/37/15/58/420371558.db2.gz QINVJWAHDVPWJM-ZDUSSCGKSA-N 2 0 285.436 -0.140 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000517238966 420373293 /nfs/dbraw/zinc/37/32/93/420373293.db2.gz NWDIDVJXXBOCLC-JMSVASOKSA-N 2 0 294.399 -0.558 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000517234739 420374766 /nfs/dbraw/zinc/37/47/66/420374766.db2.gz OMCIFPPQJYIZQD-NEPJUHHUSA-N 2 0 292.387 -0.146 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000517369032 420376991 /nfs/dbraw/zinc/37/69/91/420376991.db2.gz WJSNYJQUBUXAML-UWVGGRQHSA-N 2 0 259.350 -0.291 20 0 CBADRP O=C(C(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000517731049 420379339 /nfs/dbraw/zinc/37/93/39/420379339.db2.gz DVXKOVZMYXNWMT-AGIUHOORSA-N 2 0 292.383 -0.887 20 0 CBADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCN2CC[NH2+]CC2)C1(C)C ZINC000519603147 420384020 /nfs/dbraw/zinc/38/40/20/420384020.db2.gz ZUDDIKDQNNKWOU-SWLSCSKDSA-N 2 0 298.431 -0.460 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658691214 420384803 /nfs/dbraw/zinc/38/48/03/420384803.db2.gz XRIBCLZQCYMUNY-UHFFFAOYSA-N 2 0 296.415 -0.441 20 0 CBADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000658758530 420386183 /nfs/dbraw/zinc/38/61/83/420386183.db2.gz VPYGBKKHYFVCOT-ZDUSSCGKSA-N 2 0 296.415 -0.441 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000519697656 420386465 /nfs/dbraw/zinc/38/64/65/420386465.db2.gz RPEFTOVFOUMFQN-MNOVXSKESA-N 2 0 272.418 -0.899 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000519714289 420387762 /nfs/dbraw/zinc/38/77/62/420387762.db2.gz OZEVSLBLXJJCPO-GUBZILKMSA-N 2 0 257.334 -0.524 20 0 CBADRP [NH3+]CCC1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000519758753 420388086 /nfs/dbraw/zinc/38/80/86/420388086.db2.gz IUWNWWIERKNFNM-UHFFFAOYSA-N 2 0 297.403 -0.811 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000673543288 544880107 /nfs/dbraw/zinc/88/01/07/544880107.db2.gz CQFIAGFXNSKECX-LLVKDONJSA-N 2 0 272.393 -0.491 20 0 CBADRP CO[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C(C)C ZINC000516965269 420367179 /nfs/dbraw/zinc/36/71/79/420367179.db2.gz NHOWWEAYWHMHJU-KBPBESRZSA-N 2 0 273.421 -0.145 20 0 CBADRP [NH3+]CC(=O)NCC(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000516969762 420367576 /nfs/dbraw/zinc/36/75/76/420367576.db2.gz GMQZDBUSKFPPJQ-UHFFFAOYSA-N 2 0 297.384 -0.377 20 0 CBADRP C[C@H](C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1)N1CCN(C)CC1 ZINC000676347984 544948648 /nfs/dbraw/zinc/94/86/48/544948648.db2.gz KYUWSESCEHDERJ-MJBXVCDLSA-N 2 0 298.431 -0.542 20 0 CBADRP [NH3+]CCn1cc(C(=O)NC[C@H]2CCCC[NH2+]2)nn1 ZINC000659293887 420406693 /nfs/dbraw/zinc/40/66/93/420406693.db2.gz IAMQZPWJSRJRSS-SECBINFHSA-N 2 0 252.322 -0.891 20 0 CBADRP C[C@@H]1CCCN(C(=O)c2cn(CC[NH3+])nn2)[C@@H]1CC[NH3+] ZINC000659327729 420412492 /nfs/dbraw/zinc/41/24/92/420412492.db2.gz HBBUEWIHDUSCBF-ZYHUDNBSSA-N 2 0 280.376 -0.174 20 0 CBADRP CC(=O)N1CC[C@]([NH3+])(C(=O)N[C@@H](C[NH3+])CC(C)C)C1 ZINC000659297794 420408092 /nfs/dbraw/zinc/40/80/92/420408092.db2.gz RAUMXEIQAVOJQO-DGCLKSJQSA-N 2 0 270.377 -0.574 20 0 CBADRP C[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC000675921173 544936783 /nfs/dbraw/zinc/93/67/83/544936783.db2.gz WAGPRNNMTKBYKN-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000677887003 544988611 /nfs/dbraw/zinc/98/86/11/544988611.db2.gz YQHPPPOHHBBJGM-LSDHHAIUSA-N 2 0 292.427 -0.023 20 0 CBADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000677886997 544989697 /nfs/dbraw/zinc/98/96/97/544989697.db2.gz YQHPPPOHHBBJGM-CABCVRRESA-N 2 0 292.427 -0.023 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000659453818 420419836 /nfs/dbraw/zinc/41/98/36/420419836.db2.gz RUNLCLNHMALPQM-LLVKDONJSA-N 2 0 271.409 -0.389 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000659453589 420420136 /nfs/dbraw/zinc/42/01/36/420420136.db2.gz OFCLFULUXJPYHK-WDEREUQCSA-N 2 0 257.382 -0.861 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659453283 420420643 /nfs/dbraw/zinc/42/06/43/420420643.db2.gz JMMMLBGDEYWIHG-IJLUTSLNSA-N 2 0 287.383 -0.687 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000548017412 420421038 /nfs/dbraw/zinc/42/10/38/420421038.db2.gz AMKFPEMKGDWMSH-QWRGUYRKSA-N 2 0 295.412 0.451 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659452612 420421085 /nfs/dbraw/zinc/42/10/85/420421085.db2.gz DHQRVGYMDMOHCT-LXVYMNJGSA-N 2 0 281.404 -0.635 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000659491241 420423061 /nfs/dbraw/zinc/42/30/61/420423061.db2.gz QBAIFLCZJHEMAV-LBPRGKRZSA-N 2 0 285.436 -0.081 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000659357973 420413813 /nfs/dbraw/zinc/41/38/13/420413813.db2.gz DYIMIMDXCCEPKR-GFCCVEGCSA-N 2 0 284.404 -0.537 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659357987 420414311 /nfs/dbraw/zinc/41/43/11/420414311.db2.gz FFAMLGJXJRKQLQ-GHMZBOCLSA-N 2 0 272.393 -0.552 20 0 CBADRP C[C@H]1CN(CCO)CCN1C(=O)NCC1([NH3+])CCCC1 ZINC000659576542 420435260 /nfs/dbraw/zinc/43/52/60/420435260.db2.gz DACMFPAZPZEOSE-LBPRGKRZSA-N 2 0 284.404 -0.034 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)C2([NH3+])CCC2)n1 ZINC000563198121 420435665 /nfs/dbraw/zinc/43/56/65/420435665.db2.gz GOGIRGVRUGAZMS-UHFFFAOYSA-N 2 0 251.334 0.265 20 0 CBADRP CC[N@@H+]1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C[C@@H]1C ZINC000677930642 545008622 /nfs/dbraw/zinc/00/86/22/545008622.db2.gz DLVDKGZCELXIML-UONOGXRCSA-N 2 0 280.416 -0.071 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)CCCO1 ZINC000659609555 420437017 /nfs/dbraw/zinc/43/70/17/420437017.db2.gz BWAXLAMVDKKDHD-QWKFWESOSA-N 2 0 268.361 -0.502 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000659610166 420437188 /nfs/dbraw/zinc/43/71/88/420437188.db2.gz LZWXNKUVNNYIFK-OLZOCXBDSA-N 2 0 283.420 -0.245 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000376582427 230255114 /nfs/dbraw/zinc/25/51/14/230255114.db2.gz UBZPRVHPWUSNSC-LBPRGKRZSA-N 2 0 282.388 -0.462 20 0 CBADRP COCC1(C(=O)N(C)[C@@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC000376559865 230255128 /nfs/dbraw/zinc/25/51/28/230255128.db2.gz AAIKIKPLORORHW-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659522503 420428983 /nfs/dbraw/zinc/42/89/83/420428983.db2.gz LLZPQVQGGWIEOT-VIFPVBQESA-N 2 0 296.375 -0.187 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(C)(C)CO)CC1 ZINC000679314609 545025618 /nfs/dbraw/zinc/02/56/18/545025618.db2.gz NFCKCDNDZALBSF-GFCCVEGCSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659534346 420429557 /nfs/dbraw/zinc/42/95/57/420429557.db2.gz SFEMQCGKBSBXTF-WCBMZHEXSA-N 2 0 294.359 -0.562 20 0 CBADRP CN(CCn1ccnc1)CC(=O)N1CCN(C)CC1 ZINC000679374169 545027580 /nfs/dbraw/zinc/02/75/80/545027580.db2.gz VAUVVRJJYIOYKU-UHFFFAOYSA-N 3 0 265.361 -0.411 20 0 CBADRP O=C(NCC1=CC[NH2+]CC1)NCC12CC(C1)C[NH2+]2 ZINC000659532004 420429708 /nfs/dbraw/zinc/42/97/08/420429708.db2.gz HEGJKFKWRHTXES-UHFFFAOYSA-N 2 0 250.346 -0.043 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)CCO1 ZINC000659609484 420437510 /nfs/dbraw/zinc/43/75/10/420437510.db2.gz AMRMPZIYNZKXIN-YZRBJQDESA-N 2 0 254.334 -0.893 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659547393 420432593 /nfs/dbraw/zinc/43/25/93/420432593.db2.gz CODYPNPCRGRGGA-GHMZBOCLSA-N 2 0 287.408 -0.617 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377562204 230294939 /nfs/dbraw/zinc/29/49/39/230294939.db2.gz JSAJXCMWNOKXLE-QWHCGFSZSA-N 2 0 298.456 -0.412 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)NCC12CC(C1)C[NH2+]2 ZINC000659552907 420433481 /nfs/dbraw/zinc/43/34/81/420433481.db2.gz GOYPXOJTKTUCQJ-SQLBVSGCSA-N 2 0 254.334 -0.974 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000659750876 420467235 /nfs/dbraw/zinc/46/72/35/420467235.db2.gz ICRMADRHVHDEBX-SNVBAGLBSA-N 2 0 270.377 -0.737 20 0 CBADRP CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000683230080 545063497 /nfs/dbraw/zinc/06/34/97/545063497.db2.gz UDLOJVBYKHGNLJ-NEPJUHHUSA-N 2 0 292.449 -0.109 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659753984 420468019 /nfs/dbraw/zinc/46/80/19/420468019.db2.gz CBBGBMHRHVMJMQ-UHFFFAOYSA-N 2 0 296.415 -0.358 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659753854 420468438 /nfs/dbraw/zinc/46/84/38/420468438.db2.gz NZOFXZKDFQBSBX-LLVKDONJSA-N 2 0 272.393 -0.441 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000659756713 420469125 /nfs/dbraw/zinc/46/91/25/420469125.db2.gz SHMYEPZSWVVAOO-XQQFMLRXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000659756852 420469285 /nfs/dbraw/zinc/46/92/85/420469285.db2.gz VPQPOTNXTZZUCY-NEPJUHHUSA-N 2 0 284.404 -0.491 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000659756714 420469364 /nfs/dbraw/zinc/46/93/64/420469364.db2.gz SHMYEPZSWVVAOO-YNEHKIRRSA-N 2 0 296.415 -0.347 20 0 CBADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CC[NH2+]CC1 ZINC000659608320 420437595 /nfs/dbraw/zinc/43/75/95/420437595.db2.gz MSFGCBGXZRYTEP-ZDUSSCGKSA-N 2 0 282.388 -0.146 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000659611208 420437605 /nfs/dbraw/zinc/43/76/05/420437605.db2.gz MFSMYOJAOLLHJJ-JVWICGRDSA-N 2 0 293.415 -0.573 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)/C=C\C[NH+](C)C ZINC000491844735 230330958 /nfs/dbraw/zinc/33/09/58/230330958.db2.gz IWWMLLAFZIUOAH-FOQNGQEVSA-N 2 0 254.378 -0.534 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)/C=C/C[NH+](C)C ZINC000491844733 230331477 /nfs/dbraw/zinc/33/14/77/230331477.db2.gz IWWMLLAFZIUOAH-BTDICHCPSA-N 2 0 254.378 -0.534 20 0 CBADRP C[NH+](C)CC(C)(C)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659629003 420438881 /nfs/dbraw/zinc/43/88/81/420438881.db2.gz BZMZODGLFYKCAR-UHFFFAOYSA-N 2 0 296.375 -0.220 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659628884 420438954 /nfs/dbraw/zinc/43/89/54/420438954.db2.gz LMISNABNJHAHKT-DTWKUNHWSA-N 2 0 294.359 -0.467 20 0 CBADRP O=C(NCCNc1cc[nH+]cc1)NCC12CC(C1)C[NH2+]2 ZINC000659615820 420438995 /nfs/dbraw/zinc/43/89/95/420438995.db2.gz AJSYNUNHWPQVCM-UHFFFAOYSA-N 2 0 275.356 -0.033 20 0 CBADRP C[C@H]1[NH2+]CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H]1C ZINC000659628882 420439181 /nfs/dbraw/zinc/43/91/81/420439181.db2.gz LIYMQIXLQXKTRD-RKDXNWHRSA-N 2 0 294.359 -0.467 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000659636636 420441403 /nfs/dbraw/zinc/44/14/03/420441403.db2.gz XSZOSVVZDIRMHB-TUAOUCFPSA-N 2 0 272.393 -0.309 20 0 CBADRP COC[C@]1(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[NH2+]C1 ZINC000565306692 420441694 /nfs/dbraw/zinc/44/16/94/420441694.db2.gz DCPZTWLBVHMLGY-AWEZNQCLSA-N 2 0 295.387 0.009 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000659641844 420442872 /nfs/dbraw/zinc/44/28/72/420442872.db2.gz ISGLXTULKMZKAT-NEPJUHHUSA-N 2 0 272.393 -0.260 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000659647196 420443077 /nfs/dbraw/zinc/44/30/77/420443077.db2.gz LXHSRYMCTNLIMQ-CHWSQXEVSA-N 2 0 284.404 -0.042 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N(CCOC)CC[NH+](C)C ZINC000659643002 420443649 /nfs/dbraw/zinc/44/36/49/420443649.db2.gz HINWCLVKOUSLQE-LLVKDONJSA-N 2 0 260.382 -0.186 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000659671936 420446676 /nfs/dbraw/zinc/44/66/76/420446676.db2.gz JKBABNJSCXMXOB-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000567063213 420446870 /nfs/dbraw/zinc/44/68/70/420446870.db2.gz RQHHZIJOGVTGGE-VXGBXAGGSA-N 2 0 297.403 -0.672 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@@H+]1C ZINC000659679550 420447689 /nfs/dbraw/zinc/44/76/89/420447689.db2.gz ZLLLFECZEJJACO-AKUZOMFGSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)CC[N@@H+]1C ZINC000659677644 420447823 /nfs/dbraw/zinc/44/78/23/420447823.db2.gz GLSJREAZQJUQAP-NWDGAFQWSA-N 2 0 296.415 -0.027 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000659687060 420448385 /nfs/dbraw/zinc/44/83/85/420448385.db2.gz PSDHUXUJRVHZBB-NXEZZACHSA-N 2 0 258.366 -0.833 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000659684212 420448434 /nfs/dbraw/zinc/44/84/34/420448434.db2.gz CAIOUYVKELBBMC-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659686208 420448603 /nfs/dbraw/zinc/44/86/03/420448603.db2.gz CSHOYHIEDMPBRS-CDWSIMAYSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)[C@H](C[NH3+])C1 ZINC000659684842 420448875 /nfs/dbraw/zinc/44/88/75/420448875.db2.gz KHMSBHCNPHAAHL-YPMHNXCESA-N 2 0 296.415 -0.217 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659686531 420449131 /nfs/dbraw/zinc/44/91/31/420449131.db2.gz FHSLYVMRVHIYDK-LOIXOFCESA-N 2 0 292.383 -0.793 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659687103 420449155 /nfs/dbraw/zinc/44/91/55/420449155.db2.gz QOSUJDQDVBREHA-VHSXEESVSA-N 2 0 268.361 -0.937 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659693872 420451013 /nfs/dbraw/zinc/45/10/13/420451013.db2.gz CIXVRSNGCIIINA-ZYHUDNBSSA-N 2 0 296.415 -0.219 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000659700715 420451876 /nfs/dbraw/zinc/45/18/76/420451876.db2.gz SMLOZUMQRDJICX-QWRGUYRKSA-N 2 0 286.420 -0.197 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000659701821 420452060 /nfs/dbraw/zinc/45/20/60/420452060.db2.gz JUPGWOXHVVEIAE-QWRGUYRKSA-N 2 0 282.388 -0.523 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000659701766 420452239 /nfs/dbraw/zinc/45/22/39/420452239.db2.gz JJRUSAQFYPBOIY-QJPTWQEYSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[N@H+](C)C1CC1 ZINC000659703214 420452471 /nfs/dbraw/zinc/45/24/71/420452471.db2.gz XRZTVSXUBBSINH-RWWNRMGGSA-N 2 0 294.399 -0.547 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659705078 420453150 /nfs/dbraw/zinc/45/31/50/420453150.db2.gz SUHSGXZSKIQSDC-NSHDSACASA-N 2 0 296.415 -0.217 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659706138 420453325 /nfs/dbraw/zinc/45/33/25/420453325.db2.gz ISSWTZRFWVSEEY-UHFFFAOYSA-N 2 0 284.404 -0.168 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000659707156 420453686 /nfs/dbraw/zinc/45/36/86/420453686.db2.gz AXDLYVLNVDYHJD-NSHDSACASA-N 2 0 296.415 -0.299 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000659709759 420453900 /nfs/dbraw/zinc/45/39/00/420453900.db2.gz LNYISYJTNPKCKK-RYUDHWBXSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659707056 420454296 /nfs/dbraw/zinc/45/42/96/420454296.db2.gz USQZUUCQAJRWNZ-GHMZBOCLSA-N 2 0 288.367 -0.658 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000659709755 420454427 /nfs/dbraw/zinc/45/44/27/420454427.db2.gz LNYISYJTNPKCKK-NEPJUHHUSA-N 2 0 296.415 -0.075 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000659714015 420455859 /nfs/dbraw/zinc/45/58/59/420455859.db2.gz IOSXFXRJRBFAKY-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000659716107 420456802 /nfs/dbraw/zinc/45/68/02/420456802.db2.gz VLMZGRSTDJJIDS-CHWSQXEVSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000659718398 420457635 /nfs/dbraw/zinc/45/76/35/420457635.db2.gz NXOQNEYGCGUHGT-QWHCGFSZSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659717030 420457776 /nfs/dbraw/zinc/45/77/76/420457776.db2.gz ZBRNECGVHOQNAH-LLVKDONJSA-N 2 0 296.415 -0.312 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000659717114 420457836 /nfs/dbraw/zinc/45/78/36/420457836.db2.gz ZWRYHMQDVDTYCL-UPJWGTAASA-N 2 0 296.415 -0.027 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000659718023 420457941 /nfs/dbraw/zinc/45/79/41/420457941.db2.gz LKECKIRAJIJQLN-NWDGAFQWSA-N 2 0 284.404 -0.314 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CCC([NH3+])CC2)C1 ZINC000659716611 420458316 /nfs/dbraw/zinc/45/83/16/420458316.db2.gz XNFUBTWCOLZUFH-WXRRBKDZSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659719324 420458870 /nfs/dbraw/zinc/45/88/70/420458870.db2.gz WBOJNFKCXVXUJD-NEPJUHHUSA-N 2 0 296.415 -0.027 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000659725126 420460186 /nfs/dbraw/zinc/46/01/86/420460186.db2.gz XPOHWLLFPWQZCK-AVGNSLFASA-N 2 0 296.415 -0.299 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659731262 420461172 /nfs/dbraw/zinc/46/11/72/420461172.db2.gz BXDFIQMXMBUQNG-WDEREUQCSA-N 2 0 268.361 -0.935 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659733401 420461837 /nfs/dbraw/zinc/46/18/37/420461837.db2.gz DNXVKHNWGDUDJA-UHFFFAOYSA-N 2 0 296.415 -0.072 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659735305 420462006 /nfs/dbraw/zinc/46/20/06/420462006.db2.gz RGEFEMNVBQKVKI-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000659732237 420462176 /nfs/dbraw/zinc/46/21/76/420462176.db2.gz LJUNWYRFDXEUEU-AVGNSLFASA-N 2 0 294.399 -0.593 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH2+]C)C2)C1 ZINC000659738305 420463108 /nfs/dbraw/zinc/46/31/08/420463108.db2.gz DMMIOZPRDLNDDE-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659738160 420463671 /nfs/dbraw/zinc/46/36/71/420463671.db2.gz AULKNIXDFWQWIK-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000659739251 420464261 /nfs/dbraw/zinc/46/42/61/420464261.db2.gz PCVQOVSXAQZITP-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCC[NH2+]C)C1 ZINC000659739425 420465309 /nfs/dbraw/zinc/46/53/09/420465309.db2.gz UGTZTAZOBCAMRT-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659746048 420465916 /nfs/dbraw/zinc/46/59/16/420465916.db2.gz YSMZWBYUQLLHPP-UHFFFAOYSA-N 2 0 282.388 -0.735 20 0 CBADRP CCN1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659745222 420466623 /nfs/dbraw/zinc/46/66/23/420466623.db2.gz PVLAKLKBHCPKFS-UHFFFAOYSA-N 2 0 280.372 -0.981 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000579227934 420467033 /nfs/dbraw/zinc/46/70/33/420467033.db2.gz OCTSBWXBOVABSS-JTQLQIEISA-N 2 0 265.361 0.524 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)C[NH2+]C2CC2)n1 ZINC000582604710 420472392 /nfs/dbraw/zinc/47/23/92/420472392.db2.gz YDZLSEKXOFZGBS-UHFFFAOYSA-N 2 0 251.334 0.135 20 0 CBADRP O=C(Nc1ccn([C@H]2CC[NH2+]C2)n1)[C@@]1(F)CC[NH2+]C1 ZINC000583621421 420473935 /nfs/dbraw/zinc/47/39/35/420473935.db2.gz HEMWWOSDFAOOQD-JOYOIKCWSA-N 2 0 267.308 0.058 20 0 CBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000220332394 260121395 /nfs/dbraw/zinc/12/13/95/260121395.db2.gz CJKWUIOLBDGFKV-JHJVBQTASA-N 2 0 267.373 -0.204 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000516878919 260221309 /nfs/dbraw/zinc/22/13/09/260221309.db2.gz ACQHPUIXEJYWGU-JTQLQIEISA-N 2 0 258.366 -0.750 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000517932361 260319989 /nfs/dbraw/zinc/31/99/89/260319989.db2.gz JSBXNGAWDMHRIP-AWEZNQCLSA-N 2 0 291.399 -0.152 20 0 CBADRP CCC[C@@H](O)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000517936198 260321458 /nfs/dbraw/zinc/32/14/58/260321458.db2.gz SHZJSOQSFLLDNL-OLZOCXBDSA-N 2 0 259.394 -0.655 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000518398269 260398762 /nfs/dbraw/zinc/39/87/62/260398762.db2.gz PNASUVPMJIWYMP-XQQFMLRXSA-N 2 0 282.388 -0.114 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)C[C@@]1(C)C[NH3+] ZINC000521434292 262336446 /nfs/dbraw/zinc/33/64/46/262336446.db2.gz NNXKRPAEJMWRLI-NQBHXWOUSA-N 2 0 255.362 -0.192 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000518941568 265234722 /nfs/dbraw/zinc/23/47/22/265234722.db2.gz KJQHLRZFEZDMOF-GHMZBOCLSA-N 2 0 255.366 -0.977 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000517370435 269597417 /nfs/dbraw/zinc/59/74/17/269597417.db2.gz YCQJCCPRPYGLCA-GUBZILKMSA-N 2 0 256.350 -0.903 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000521646647 269603941 /nfs/dbraw/zinc/60/39/41/269603941.db2.gz WZZJOPWYBSIDBN-RHYQMDGZSA-N 2 0 280.372 -0.855 20 0 CBADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529338008 269631281 /nfs/dbraw/zinc/63/12/81/269631281.db2.gz HPLFSIRVKOCDCJ-IJLVLRJLSA-N 2 0 282.388 -0.210 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCOC2(C[NH2+]C2)C1 ZINC000529351208 269631708 /nfs/dbraw/zinc/63/17/08/269631708.db2.gz RDMPGYNAJIHNDF-NSHDSACASA-N 2 0 280.372 -0.345 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529342804 269631720 /nfs/dbraw/zinc/63/17/20/269631720.db2.gz NIUPMFAZIRWFFP-GMTAPVOTSA-N 2 0 256.350 -0.599 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000351540602 273813084 /nfs/dbraw/zinc/81/30/84/273813084.db2.gz OVALZTYZYPNYRI-NWDGAFQWSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@H]1[NH+](C)C ZINC000423355493 287845784 /nfs/dbraw/zinc/84/57/84/287845784.db2.gz PCFJJIJXOWHKEU-IJLUTSLNSA-N 2 0 282.388 -0.655 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000419909104 276016836 /nfs/dbraw/zinc/01/68/36/276016836.db2.gz KMAVZXSPMMMDHP-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000419315210 277021913 /nfs/dbraw/zinc/02/19/13/277021913.db2.gz JNIVYRHEPYFJTD-RYUDHWBXSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000419432161 277039720 /nfs/dbraw/zinc/03/97/20/277039720.db2.gz XVSRSKATOVQIOP-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424169596 277053068 /nfs/dbraw/zinc/05/30/68/277053068.db2.gz HEYUMBUDBMASOG-NEPJUHHUSA-N 2 0 283.372 -0.275 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224293574 277237017 /nfs/dbraw/zinc/23/70/17/277237017.db2.gz SARHKQMKJTWZIQ-UWVGGRQHSA-N 2 0 256.350 -0.109 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000419158835 277276376 /nfs/dbraw/zinc/27/63/76/277276376.db2.gz YLGRRQYOHBCJSG-AAEUAGOBSA-N 2 0 294.399 -0.450 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000373172380 277328491 /nfs/dbraw/zinc/32/84/91/277328491.db2.gz IXWSRCLZBUAVIM-BJDJZHNGSA-N 2 0 255.362 -0.064 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000419405150 277570639 /nfs/dbraw/zinc/57/06/39/277570639.db2.gz HIBJRYDEUGOAON-NSHDSACASA-N 2 0 270.377 -0.702 20 0 CBADRP COC[C@H]([NH3+])C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000375952132 277594853 /nfs/dbraw/zinc/59/48/53/277594853.db2.gz AMCLJVJZZWFHNV-STQMWFEESA-N 2 0 263.341 -0.037 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C[N@@H+]1C1CC1 ZINC000419316927 278017832 /nfs/dbraw/zinc/01/78/32/278017832.db2.gz MJDWSOAKMJBNEO-SUZMYJTESA-N 2 0 294.399 -0.419 20 0 CBADRP C[C@@H]1C[C@H](O)C[NH+]1CCOCC[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000340922045 278032090 /nfs/dbraw/zinc/03/20/90/278032090.db2.gz XTDUTYLWJXQJEV-CRWXNKLISA-N 2 0 272.389 -0.087 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)CCC[N@@H+]1C ZINC000419557093 278083769 /nfs/dbraw/zinc/08/37/69/278083769.db2.gz LUKMAYHZFYDTOM-RNJOBUHISA-N 2 0 296.415 -0.158 20 0 CBADRP CC1(C)CN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC[NH2+]1 ZINC000332702626 278292793 /nfs/dbraw/zinc/29/27/93/278292793.db2.gz YJKMMWLOWPNWHF-GFCCVEGCSA-N 2 0 294.399 -0.497 20 0 CBADRP C[C@H]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000515523150 278359128 /nfs/dbraw/zinc/35/91/28/278359128.db2.gz QDAIXYOPVXKTCW-NWDGAFQWSA-N 2 0 297.403 -0.956 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000364032664 278373507 /nfs/dbraw/zinc/37/35/07/278373507.db2.gz DHTYCNFKWXZPHO-GZMMTYOYSA-N 2 0 263.345 -0.217 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC[NH2+]1 ZINC000423571708 278392214 /nfs/dbraw/zinc/39/22/14/278392214.db2.gz WKPIXBINSAVPQP-YNEHKIRRSA-N 2 0 294.399 -0.641 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419732365 279104861 /nfs/dbraw/zinc/10/48/61/279104861.db2.gz MIWCYTKEZZWJJW-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000418956836 279126858 /nfs/dbraw/zinc/12/68/58/279126858.db2.gz ZLDUJOLJNAWXSP-RYUDHWBXSA-N 2 0 286.420 -0.068 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000418954725 279126954 /nfs/dbraw/zinc/12/69/54/279126954.db2.gz XMUKQJXRXVZFTR-NEPJUHHUSA-N 2 0 286.420 -0.195 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])C1CC1 ZINC000419520684 279189657 /nfs/dbraw/zinc/18/96/57/279189657.db2.gz IORKLVWZRAQKOW-ZDUSSCGKSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000419526087 279189908 /nfs/dbraw/zinc/18/99/08/279189908.db2.gz SDYQILIWVPZLAT-NSHDSACASA-N 2 0 282.388 -0.593 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000419530834 279189998 /nfs/dbraw/zinc/18/99/98/279189998.db2.gz ZQJQSAOECLSMLO-YPMHNXCESA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@H](CC(N)=O)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000346061041 279249675 /nfs/dbraw/zinc/24/96/75/279249675.db2.gz FHVFQVZAONJTNA-GHMZBOCLSA-N 2 0 270.377 -0.573 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000419593080 279278967 /nfs/dbraw/zinc/27/89/67/279278967.db2.gz SNFPWNKUGGDGOI-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419587175 279279246 /nfs/dbraw/zinc/27/92/46/279279246.db2.gz NMKOPTHZAWGCKI-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C)C[NH3+])CC1=O ZINC000262545452 279304600 /nfs/dbraw/zinc/30/46/00/279304600.db2.gz UVXSUNUSQHYTGD-RWMBFGLXSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419884215 279305988 /nfs/dbraw/zinc/30/59/88/279305988.db2.gz FNCFBSOSMWKVCQ-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000420141095 279307819 /nfs/dbraw/zinc/30/78/19/279307819.db2.gz JETFXMRYXBKURQ-UPJWGTAASA-N 2 0 296.415 -0.299 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CC[NH3+])CC1=O ZINC000423998203 279330440 /nfs/dbraw/zinc/33/04/40/279330440.db2.gz AFJYDZJADKRKKN-STQMWFEESA-N 2 0 296.415 -0.264 20 0 CBADRP Cn1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c(=O)n(C)c1=O ZINC000352535826 279335325 /nfs/dbraw/zinc/33/53/25/279335325.db2.gz VYAVOTRIZIBONQ-GFCCVEGCSA-N 2 0 280.372 -0.213 20 0 CBADRP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)C1 ZINC000422541509 279399061 /nfs/dbraw/zinc/39/90/61/279399061.db2.gz LXVVTAFUUQSORZ-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3C[NH2+]CCO3)CC2)CCO1 ZINC000431032344 288133999 /nfs/dbraw/zinc/13/39/99/288133999.db2.gz BLOBDRJHJIVLTN-OCCSQVGLSA-N 2 0 297.399 -0.314 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000419968158 279875770 /nfs/dbraw/zinc/87/57/70/279875770.db2.gz AJSUCUHQBDHUML-LBPRGKRZSA-N 2 0 286.420 -0.116 20 0 CBADRP CC(C)[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000418777526 280000437 /nfs/dbraw/zinc/00/04/37/280000437.db2.gz YNWXUDUNYZHFFT-STQMWFEESA-N 2 0 284.404 -0.044 20 0 CBADRP CC(C)[C@H](C[NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000068805681 280236720 /nfs/dbraw/zinc/23/67/20/280236720.db2.gz USHLHZMWACQYFN-RYUDHWBXSA-N 2 0 256.394 -0.421 20 0 CBADRP CC[C@@H]1CN(C(=O)C2C[NH2+]C2)CC[N@@H+]1C[C@@H](C)O ZINC000262224686 280347106 /nfs/dbraw/zinc/34/71/06/280347106.db2.gz KZPUFBGSODBNGZ-ZYHUDNBSSA-N 2 0 255.362 -0.491 20 0 CBADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)COC1C[NH2+]C1 ZINC000430723695 281000014 /nfs/dbraw/zinc/00/00/14/281000014.db2.gz SVZDGIFOZIABBB-NSHDSACASA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000332560516 288301048 /nfs/dbraw/zinc/30/10/48/288301048.db2.gz QDUZRLOOQKOVTD-FRRDWIJNSA-N 2 0 294.399 -0.450 20 0 CBADRP CC1(C)CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[NH2+]1 ZINC000333498301 281174719 /nfs/dbraw/zinc/17/47/19/281174719.db2.gz FCLBKQRYTBFQFJ-NSHDSACASA-N 2 0 270.377 -0.242 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCC1 ZINC000419242493 282027576 /nfs/dbraw/zinc/02/75/76/282027576.db2.gz RBJNGNQUGHBHJC-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP COCC[C@@]1(C(=O)NC[C@@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000370789251 292660624 /nfs/dbraw/zinc/66/06/24/292660624.db2.gz WEMXQQAPACQJEO-AAEUAGOBSA-N 2 0 255.362 -0.129 20 0 CBADRP CN(C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)[C@H]1C[NH2+]C[C@@H]1O ZINC000418640436 288842779 /nfs/dbraw/zinc/84/27/79/288842779.db2.gz MSBILXPPRCBELM-SRVKXCTJSA-N 2 0 284.404 -0.261 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000373891195 288852140 /nfs/dbraw/zinc/85/21/40/288852140.db2.gz HKBSCXCMUUSZAC-WPRPVWTQSA-N 2 0 263.345 -0.074 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000419242829 289043616 /nfs/dbraw/zinc/04/36/16/289043616.db2.gz RQXBNLBUNASTJD-NWDGAFQWSA-N 2 0 296.415 -0.027 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)C2([NH3+])CC2)CC1 ZINC000430767669 289067694 /nfs/dbraw/zinc/06/76/94/289067694.db2.gz MUEQCPDFKAJBGE-UHFFFAOYSA-N 2 0 254.378 -0.380 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444271323 289068955 /nfs/dbraw/zinc/06/89/55/289068955.db2.gz SAMCRKVMCNHPNR-GFCCVEGCSA-N 2 0 254.378 -0.510 20 0 CBADRP C[NH+](C)CC1(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CCCC1 ZINC000418799883 289086438 /nfs/dbraw/zinc/08/64/38/289086438.db2.gz BPAYHXNXURPCSG-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP CN(C)C(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344063357 289132140 /nfs/dbraw/zinc/13/21/40/289132140.db2.gz NLNQRAYNUASJLT-UHFFFAOYSA-N 2 0 258.410 -0.110 20 0 CBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000423739489 289137971 /nfs/dbraw/zinc/13/79/71/289137971.db2.gz FXWBOGGKZPGPKD-KBPBESRZSA-N 2 0 299.415 -0.066 20 0 CBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CCOC1C[NH2+]C1 ZINC000423738815 289141203 /nfs/dbraw/zinc/14/12/03/289141203.db2.gz FETPUEWBCSXOQA-CYBMUJFWSA-N 2 0 299.415 -0.066 20 0 CBADRP C[NH+](C)CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000342667880 289160696 /nfs/dbraw/zinc/16/06/96/289160696.db2.gz UYRDSAQGEXBNJG-UHFFFAOYSA-N 2 0 285.436 -0.127 20 0 CBADRP C[NH+](C)C[C@H]1CN(C(=O)NC[C@H]2CCC[NH2+]2)CCO1 ZINC000333660894 289215487 /nfs/dbraw/zinc/21/54/87/289215487.db2.gz LNZBEYVXGJAOPL-NEPJUHHUSA-N 2 0 270.377 -0.290 20 0 CBADRP CN(C)S(=O)(=O)CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000230992432 289249483 /nfs/dbraw/zinc/24/94/83/289249483.db2.gz MQUAVPIEBIQMOF-QWRGUYRKSA-N 2 0 263.407 -0.015 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000351540975 289278019 /nfs/dbraw/zinc/27/80/19/289278019.db2.gz OVALZTYZYPNYRI-RYUDHWBXSA-N 2 0 282.388 -0.689 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000332305952 289290660 /nfs/dbraw/zinc/29/06/60/289290660.db2.gz IAFNSXWOTRYVNQ-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000419860522 289368302 /nfs/dbraw/zinc/36/83/02/289368302.db2.gz KYQBWJYUVMUBPY-RYUDHWBXSA-N 2 0 282.388 -0.608 20 0 CBADRP C[NH+](C)[C@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000331510898 289381826 /nfs/dbraw/zinc/38/18/26/289381826.db2.gz PNLXSZCRSWBTAU-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418651455 290062307 /nfs/dbraw/zinc/06/23/07/290062307.db2.gz YGERWMJVULIDCA-QWHCGFSZSA-N 2 0 297.447 -0.033 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)C[C@H]1C ZINC000333841921 290096645 /nfs/dbraw/zinc/09/66/45/290096645.db2.gz OJUBEIFWJLBTFA-FRRDWIJNSA-N 2 0 284.404 -0.165 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2C[C@H]2[NH3+])C1 ZINC000424160321 295107726 /nfs/dbraw/zinc/10/77/26/295107726.db2.gz UFLRRDIPANOVPT-OUAUKWLOSA-N 2 0 268.361 -0.963 20 0 CBADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1C[NH2+]CCO1 ZINC000364612129 295214694 /nfs/dbraw/zinc/21/46/94/295214694.db2.gz QRHMOYHTFRUTRL-IJLVLRJLSA-N 2 0 267.373 -0.003 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000037824332 295217064 /nfs/dbraw/zinc/21/70/64/295217064.db2.gz VZWZIFGJWFWFCL-LLVKDONJSA-N 2 0 268.361 -0.852 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332203247 295268884 /nfs/dbraw/zinc/26/88/84/295268884.db2.gz DKRBLBJGSWTNBR-VXGBXAGGSA-N 2 0 280.372 -0.757 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)NCCN2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000333422281 297277934 /nfs/dbraw/zinc/27/79/34/297277934.db2.gz SRIHMWXKBNWBAB-CHWSQXEVSA-N 2 0 295.431 -0.184 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333663660 297538365 /nfs/dbraw/zinc/53/83/65/297538365.db2.gz LYFYWAMJMXJRMR-MJBXVCDLSA-N 2 0 295.431 -0.184 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333695459 297545409 /nfs/dbraw/zinc/54/54/09/297545409.db2.gz QELOOSIXBYPPLH-MELADBBJSA-N 2 0 295.431 -0.184 20 0 CBADRP C[C@H](CC(N)=O)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000349386428 298351713 /nfs/dbraw/zinc/35/17/13/298351713.db2.gz YZCDEAPHIMHQMC-NWDGAFQWSA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000420010450 298417461 /nfs/dbraw/zinc/41/74/61/298417461.db2.gz XLNMCZGMIVPBJJ-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419135331 298419214 /nfs/dbraw/zinc/41/92/14/298419214.db2.gz LCQWDNVJMFRGKD-WOPDTQHZSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419416992 298557745 /nfs/dbraw/zinc/55/77/45/298557745.db2.gz HMGCVOQJYQPYQF-GFCCVEGCSA-N 2 0 296.415 -0.025 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])C[NH+]1CCCCC1 ZINC000419964377 298679193 /nfs/dbraw/zinc/67/91/93/298679193.db2.gz XHGINQWMSUHSML-QWHCGFSZSA-N 2 0 298.431 -0.064 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333857176 300000484 /nfs/dbraw/zinc/00/04/84/300000484.db2.gz REXIDGNRKVCCBP-YFKTTZPYSA-N 2 0 252.362 -0.155 20 0 CBADRP NC(=O)NC(=O)CC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431038457 303267955 /nfs/dbraw/zinc/26/79/55/303267955.db2.gz OHRVYAIJYJDFOO-UHFFFAOYSA-N 2 0 254.334 -0.353 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCN1CCCC1=O ZINC000436055355 303373751 /nfs/dbraw/zinc/37/37/51/303373751.db2.gz TUWSIQAUOKZTSB-CYBMUJFWSA-N 2 0 296.415 -0.072 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000357107552 303383216 /nfs/dbraw/zinc/38/32/16/303383216.db2.gz RWUFWKCXFKQDRM-CYBMUJFWSA-N 2 0 257.378 -0.242 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000570827251 327623882 /nfs/dbraw/zinc/62/38/82/327623882.db2.gz NECUSVYBHPXDDV-OLZOCXBDSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC[NH3+] ZINC000565252854 327627247 /nfs/dbraw/zinc/62/72/47/327627247.db2.gz FZCULWCKJZYYHE-LLVKDONJSA-N 2 0 270.377 -0.702 20 0 CBADRP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000580072681 327690944 /nfs/dbraw/zinc/69/09/44/327690944.db2.gz DPQJNAXJHJJKDK-HNGCFSAESA-N 2 0 294.399 -0.404 20 0 CBADRP CC(C)(C[NH3+])C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000580189011 327726134 /nfs/dbraw/zinc/72/61/34/327726134.db2.gz DLYWKOCFZMDRFK-LLVKDONJSA-N 2 0 254.378 -0.523 20 0 CBADRP CC(C)(C[NH3+])C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000580189014 327726207 /nfs/dbraw/zinc/72/62/07/327726207.db2.gz DLYWKOCFZMDRFK-NSHDSACASA-N 2 0 254.378 -0.523 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000580192730 327727843 /nfs/dbraw/zinc/72/78/43/327727843.db2.gz BRWPJWIFLJWUQI-MNOVXSKESA-N 2 0 270.377 -0.641 20 0 CBADRP C[C@@H](C[NH2+]C[C@@H](O)Cn1cccn1)CN1CC[NH+](C)CC1 ZINC000582116986 327877498 /nfs/dbraw/zinc/87/74/98/327877498.db2.gz ABLVFJQSJGQDEV-LSDHHAIUSA-N 2 0 295.431 -0.283 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000563109071 327925099 /nfs/dbraw/zinc/92/50/99/327925099.db2.gz WDWFPFMPTQRVEH-MNOVXSKESA-N 2 0 278.360 -0.536 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000563144896 327929936 /nfs/dbraw/zinc/92/99/36/327929936.db2.gz UFKZWBBSWWRNEL-TUAOUCFPSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000563208897 327965097 /nfs/dbraw/zinc/96/50/97/327965097.db2.gz FGWYAZFDZRRFHI-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000563391518 328060555 /nfs/dbraw/zinc/06/05/55/328060555.db2.gz VIRFJGBDQPPDBX-GFCCVEGCSA-N 2 0 257.378 -0.241 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCCC[NH2+]C3CC3)CCN2C1=O ZINC000563451200 328066215 /nfs/dbraw/zinc/06/62/15/328066215.db2.gz JZFQPVUAEBNWME-NWDGAFQWSA-N 2 0 295.387 -0.918 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCCC[NH2+]C3CC3)CCN2C1=O ZINC000563451202 328066315 /nfs/dbraw/zinc/06/63/15/328066315.db2.gz JZFQPVUAEBNWME-VXGBXAGGSA-N 2 0 295.387 -0.918 20 0 CBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)C3([NH2+]C4CC4)CCC3)CCN2C1=O ZINC000563441537 328066535 /nfs/dbraw/zinc/06/65/35/328066535.db2.gz MBYBDMFSBXQIAE-RYUDHWBXSA-N 2 0 292.383 -0.569 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000563453304 328067630 /nfs/dbraw/zinc/06/76/30/328067630.db2.gz IIHPNLRIVNJHIW-ZDUSSCGKSA-N 2 0 283.420 -0.373 20 0 CBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000563457545 328067797 /nfs/dbraw/zinc/06/77/97/328067797.db2.gz LFILEQYNFVCRDR-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000563458620 328068079 /nfs/dbraw/zinc/06/80/79/328068079.db2.gz UETNZJZYXOJFMD-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+][C@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1cnn(C)c1 ZINC000563531970 328072179 /nfs/dbraw/zinc/07/21/79/328072179.db2.gz DUZJBMGHJBYZMC-OLZOCXBDSA-N 2 0 295.387 -0.530 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[NH2+]C1 ZINC000563534393 328072453 /nfs/dbraw/zinc/07/24/53/328072453.db2.gz NWKAVXHEPNLWCF-MNOVXSKESA-N 2 0 268.361 -0.887 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563595421 328076207 /nfs/dbraw/zinc/07/62/07/328076207.db2.gz HNAWFGVACPCDHM-NWDGAFQWSA-N 2 0 297.403 -0.671 20 0 CBADRP C[NH2+][C@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1cnn(C)c1 ZINC000571080707 328084676 /nfs/dbraw/zinc/08/46/76/328084676.db2.gz CHASUNDZOKSMGA-UMNHJUIQSA-N 2 0 263.345 -0.642 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN(C)CC[NH2+]C)CC1 ZINC000571214517 328092373 /nfs/dbraw/zinc/09/23/73/328092373.db2.gz MXKBBGUOJMCSAR-UHFFFAOYSA-N 2 0 256.394 -0.262 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000571225405 328093786 /nfs/dbraw/zinc/09/37/86/328093786.db2.gz ZNQOICFVSUEUFI-NWDGAFQWSA-N 2 0 255.362 -0.225 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000571288025 328098305 /nfs/dbraw/zinc/09/83/05/328098305.db2.gz YQNWBHUYRQVJBM-TUAOUCFPSA-N 2 0 292.387 -0.148 20 0 CBADRP CC[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000571316099 328104765 /nfs/dbraw/zinc/10/47/65/328104765.db2.gz TTWXZYSGTGNPRR-NEPJUHHUSA-N 2 0 257.378 -0.066 20 0 CBADRP CO[C@H]1CCN(C(=O)C[NH2+]CC2CC2)[C@H](C[NH3+])C1 ZINC000571326571 328107633 /nfs/dbraw/zinc/10/76/33/328107633.db2.gz NHAFXHAGQWTUCC-RYUDHWBXSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000571396130 328118566 /nfs/dbraw/zinc/11/85/66/328118566.db2.gz GLOYMDPYBSDLRU-QJPTWQEYSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@]1(CNC(=O)C[C@@H]2COCC[NH2+]2)CCC[NH2+]C1 ZINC000571432323 328121118 /nfs/dbraw/zinc/12/11/18/328121118.db2.gz SJXRKOIBIHIPBE-DGCLKSJQSA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@]1(CNC(=O)C[C@@H]2COCC[NH2+]2)CCC[NH2+]C1 ZINC000571432326 328121191 /nfs/dbraw/zinc/12/11/91/328121191.db2.gz SJXRKOIBIHIPBE-YPMHNXCESA-N 2 0 255.362 -0.129 20 0 CBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])C2)CC1 ZINC000571431645 328121201 /nfs/dbraw/zinc/12/12/01/328121201.db2.gz ALXRCNWVWUQMKR-UPJWGTAASA-N 2 0 266.389 -0.428 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)C[C@@H](C)[NH2+]1 ZINC000571558304 328133707 /nfs/dbraw/zinc/13/37/07/328133707.db2.gz UTQMANBFBPKNAL-GHMZBOCLSA-N 2 0 280.376 -0.161 20 0 CBADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000582724614 329131004 /nfs/dbraw/zinc/13/10/04/329131004.db2.gz HBUGULAAGRJNCV-VXGBXAGGSA-N 2 0 282.388 -0.558 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCn2cccc2)CC1 ZINC000574982876 328234936 /nfs/dbraw/zinc/23/49/36/328234936.db2.gz OROSIFVUJGIARA-CQSZACIVSA-N 2 0 266.389 -0.314 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@H]([NH+](C)C)C1 ZINC000388787989 328303215 /nfs/dbraw/zinc/30/32/15/328303215.db2.gz NVCIURFNNJKWJK-KBPBESRZSA-N 2 0 273.421 -0.049 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000388787992 328303487 /nfs/dbraw/zinc/30/34/87/328303487.db2.gz NVCIURFNNJKWJK-ZIAGYGMSSA-N 2 0 273.421 -0.049 20 0 CBADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000583490205 328304117 /nfs/dbraw/zinc/30/41/17/328304117.db2.gz DAAJNVYZNPMYNZ-QWRGUYRKSA-N 2 0 282.388 -0.547 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]C1 ZINC000583992866 326832596 /nfs/dbraw/zinc/83/25/96/326832596.db2.gz IZLSSPDXKUKZFM-SCRDCRAPSA-N 2 0 267.373 -0.320 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000584047924 326906408 /nfs/dbraw/zinc/90/64/08/326906408.db2.gz OLSUOEGLTFPHJS-IJLUTSLNSA-N 2 0 255.362 -0.131 20 0 CBADRP [NH3+][C@H](Cc1ccccc1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000584107958 326973015 /nfs/dbraw/zinc/97/30/15/326973015.db2.gz DQSGBCUJPVASCM-QWHCGFSZSA-N 2 0 263.341 -0.339 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNC(=O)C1CC1 ZINC000556938156 326984708 /nfs/dbraw/zinc/98/47/08/326984708.db2.gz KDQRJJAYHXUNBB-UHFFFAOYSA-N 2 0 284.404 -0.536 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CCO1 ZINC000568270899 326988041 /nfs/dbraw/zinc/98/80/41/326988041.db2.gz FSWBBZVPAPIPTF-KGLIPLIRSA-N 2 0 275.352 -0.113 20 0 CBADRP CN(C(=O)COC1CC[NH2+]CC1)[C@@H](C[NH3+])C1CC1 ZINC000584112604 327009838 /nfs/dbraw/zinc/00/98/38/327009838.db2.gz YOBOOCHIGKWIJS-LBPRGKRZSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000557596132 327015083 /nfs/dbraw/zinc/01/50/83/327015083.db2.gz LBAWXWOOWSNMGX-OLZOCXBDSA-N 2 0 268.405 -0.310 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000576093639 327015848 /nfs/dbraw/zinc/01/58/48/327015848.db2.gz GRONUOOTROTOQU-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000568877022 327021798 /nfs/dbraw/zinc/02/17/98/327021798.db2.gz MOLHPCAJKCFOTM-VXGBXAGGSA-N 2 0 283.372 -0.036 20 0 CBADRP CO[C@@](C)(C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C1CC1 ZINC000568993392 327027687 /nfs/dbraw/zinc/02/76/87/327027687.db2.gz LCDQQGYTCFNUMJ-CABCVRRESA-N 2 0 285.432 -0.001 20 0 CBADRP C[C@@H]1[NH2+]CCN(C[C@H]2CCCN(C(=O)C[NH3+])C2)[C@H]1C ZINC000565833626 327031004 /nfs/dbraw/zinc/03/10/04/327031004.db2.gz MIEMMYRUVMLBOO-RWMBFGLXSA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000584113802 327040837 /nfs/dbraw/zinc/04/08/37/327040837.db2.gz JBUOJTRBGIWCLX-WUHRBBMRSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000584113800 327040849 /nfs/dbraw/zinc/04/08/49/327040849.db2.gz JBUOJTRBGIWCLX-CYDGBPFRSA-N 2 0 296.415 -0.219 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000584170956 327056586 /nfs/dbraw/zinc/05/65/86/327056586.db2.gz UIRKNQIDWPHFRF-JTQLQIEISA-N 2 0 269.345 -0.521 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](C)C[C@@H](C(=O)OC)C1 ZINC000584181224 327060932 /nfs/dbraw/zinc/06/09/32/327060932.db2.gz RYPLNNOLDXLIME-OLZOCXBDSA-N 2 0 287.404 -0.664 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC2(CC[NH2+]C2)CC1 ZINC000584230092 327070240 /nfs/dbraw/zinc/07/02/40/327070240.db2.gz KPLSUECYQJIABA-GFCCVEGCSA-N 2 0 294.399 -0.543 20 0 CBADRP [NH3+][C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccccc1 ZINC000573104988 327095001 /nfs/dbraw/zinc/09/50/01/327095001.db2.gz WZPLWMZWQAOTJS-XQQFMLRXSA-N 2 0 288.351 -0.543 20 0 CBADRP C[NH+](C)CC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000564450773 327100013 /nfs/dbraw/zinc/10/00/13/327100013.db2.gz ZBZNYDFICKUUPC-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP C[C@H]1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)C[C@H]1C[NH3+] ZINC000566090601 327132043 /nfs/dbraw/zinc/13/20/43/327132043.db2.gz ALNSNGFZNGXRGR-QWHCGFSZSA-N 2 0 298.431 -0.160 20 0 CBADRP C[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)Cn1cccn1 ZINC000566105767 327136585 /nfs/dbraw/zinc/13/65/85/327136585.db2.gz WGDMXPCYDQMANV-GJZGRUSLSA-N 2 0 295.431 -0.283 20 0 CBADRP CC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000566179884 327157911 /nfs/dbraw/zinc/15/79/11/327157911.db2.gz VYJCMQDOBHGGCF-ZJUUUORDSA-N 2 0 256.350 -0.820 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000569357403 327162296 /nfs/dbraw/zinc/16/22/96/327162296.db2.gz JEXUURJVWHZJQH-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000569456455 327179643 /nfs/dbraw/zinc/17/96/43/327179643.db2.gz ZJAXLECODBMGNK-YPMHNXCESA-N 2 0 266.389 -0.367 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C1(COC)CC[NH2+]CC1 ZINC000564655373 327194891 /nfs/dbraw/zinc/19/48/91/327194891.db2.gz JZXKXIHADUXGNE-LLVKDONJSA-N 2 0 257.378 -0.026 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000564938387 327196344 /nfs/dbraw/zinc/19/63/44/327196344.db2.gz URKGNVDEBMDPKN-YNEHKIRRSA-N 2 0 283.420 -0.199 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)[C@]2(COC)CC[NH2+]C2)C1 ZINC000569572871 327199424 /nfs/dbraw/zinc/19/94/24/327199424.db2.gz GFDZBLUQHSELCO-WCQYABFASA-N 2 0 255.362 -0.177 20 0 CBADRP CN1CCN(C(=O)[C@H]([NH3+])CC(F)F)[C@@H](C[NH3+])C1 ZINC000569577036 327200833 /nfs/dbraw/zinc/20/08/33/327200833.db2.gz WPRHEALGMRCZRT-JGVFFNPUSA-N 2 0 250.293 -0.930 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564657610 327201269 /nfs/dbraw/zinc/20/12/69/327201269.db2.gz KRQHTHZJPXIMKP-GXFFZTMASA-N 2 0 269.345 -0.521 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000569608237 327209734 /nfs/dbraw/zinc/20/97/34/327209734.db2.gz GJXQALZGYOZVNG-NSHDSACASA-N 2 0 271.361 -0.323 20 0 CBADRP Cn1ccc(CC(=O)N2CCN(C)C[C@@H]2C[NH3+])n1 ZINC000564944131 327247585 /nfs/dbraw/zinc/24/75/85/327247585.db2.gz IQDYKMAEXKLUOF-NSHDSACASA-N 2 0 251.334 -0.936 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000566236544 327253993 /nfs/dbraw/zinc/25/39/93/327253993.db2.gz FTTDLRLHWXBDEB-ZPFDUUQYSA-N 2 0 296.415 -0.173 20 0 CBADRP C[C@H](C[NH3+])C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000573798092 327257935 /nfs/dbraw/zinc/25/79/35/327257935.db2.gz DKORDWBZRZMQDE-NEPJUHHUSA-N 2 0 257.378 -0.210 20 0 CBADRP COCC1(C(=O)NC[C@H]2C[NH2+]CCN2C)CC[NH2+]CC1 ZINC000564955965 327261691 /nfs/dbraw/zinc/26/16/91/327261691.db2.gz DGXPXPZCTIAMFT-GFCCVEGCSA-N 2 0 284.404 -0.978 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000564956804 327263777 /nfs/dbraw/zinc/26/37/77/327263777.db2.gz VSWNTEXNWBPVHB-GUBZILKMSA-N 2 0 257.334 -0.680 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000573962483 327275581 /nfs/dbraw/zinc/27/55/81/327275581.db2.gz BHPCFKAIZBXRJJ-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP COCC[NH2+]CCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000583380399 327334364 /nfs/dbraw/zinc/33/43/64/327334364.db2.gz GPFPMNWJKNVQJO-SNVBAGLBSA-N 2 0 281.360 -0.548 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000583380535 327334374 /nfs/dbraw/zinc/33/43/74/327334374.db2.gz NZGSVWCGURCXMI-GFCCVEGCSA-N 2 0 263.341 -0.001 20 0 CBADRP CC(C)[C@](C)(C[NH3+])NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000583382029 327335343 /nfs/dbraw/zinc/33/53/43/327335343.db2.gz CAQKDPRUGAAUNQ-MFKMUULPSA-N 2 0 270.377 -0.656 20 0 CBADRP [NH3+][C@H]1C[C@H]2CN(CC(=O)N3CCCCC3)CCN2C1=O ZINC000583392800 327340707 /nfs/dbraw/zinc/34/07/07/327340707.db2.gz QFOSXPVBDBIOBO-RYUDHWBXSA-N 2 0 280.372 -0.757 20 0 CBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000564996350 327351342 /nfs/dbraw/zinc/35/13/42/327351342.db2.gz SCAABZLDWJBCRG-UPJWGTAASA-N 2 0 268.405 -0.134 20 0 CBADRP O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000579240899 327359963 /nfs/dbraw/zinc/35/99/63/327359963.db2.gz FGPQWDLWKJFQSQ-QWHCGFSZSA-N 2 0 267.373 -0.300 20 0 CBADRP [NH3+]CC12CCC(CC1)CN2C(=O)COC1C[NH2+]C1 ZINC000583448006 327372291 /nfs/dbraw/zinc/37/22/91/327372291.db2.gz ULOFZPDPXJZVNC-UHFFFAOYSA-N 2 0 253.346 -0.295 20 0 CBADRP O=C(NC1C[NH2+]C1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000561256819 327380011 /nfs/dbraw/zinc/38/00/11/327380011.db2.gz QGUXOKATPVZGCX-ZDUSSCGKSA-N 2 0 294.399 -0.449 20 0 CBADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1C[C@H](O)C[NH2+]1 ZINC000564728176 327442111 /nfs/dbraw/zinc/44/21/11/327442111.db2.gz HIQCLJWVHWEPRN-QWHCGFSZSA-N 2 0 261.325 -0.006 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000562689939 327504774 /nfs/dbraw/zinc/50/47/74/327504774.db2.gz ZTHGIGGPQLCFKS-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)[NH2+]C)C2)CC1 ZINC000565212574 327525328 /nfs/dbraw/zinc/52/53/28/327525328.db2.gz ILASMBBDPRNWOE-STQMWFEESA-N 2 0 268.405 -0.167 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000570214236 327576364 /nfs/dbraw/zinc/57/63/64/327576364.db2.gz IBDBTAZYULNMDX-ONGXEEELSA-N 2 0 272.393 -0.425 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000570329676 327583758 /nfs/dbraw/zinc/58/37/58/327583758.db2.gz DUNIOMJGIYFWNF-QWRGUYRKSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000570517699 327597865 /nfs/dbraw/zinc/59/78/65/327597865.db2.gz NTQHRWRHEDFSAH-DCAQKATOSA-N 2 0 280.376 -0.114 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000582236397 328836624 /nfs/dbraw/zinc/83/66/24/328836624.db2.gz SKQMXKUYNQGKDH-HHHUOAJASA-N 2 0 253.346 -0.441 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000583691910 328976069 /nfs/dbraw/zinc/97/60/69/328976069.db2.gz UMZUITVMJOJRFW-UTLUCORTSA-N 2 0 255.318 -0.913 20 0 CBADRP C[C@@H]1C[C@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)[C@@H](C)O1 ZINC000582482143 329095656 /nfs/dbraw/zinc/09/56/56/329095656.db2.gz VUTVBBTUVHPZTO-KBUPBQIOSA-N 2 0 285.432 -0.002 20 0 CBADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@]2(C(N)=O)CCOC2)CC1 ZINC000582494822 329100618 /nfs/dbraw/zinc/10/06/18/329100618.db2.gz KLVABGBWVQHIDP-HNNXBMFYSA-N 2 0 298.431 -0.364 20 0 CBADRP C[C@@]1(C(=O)NCCC[NH+]2CCC(O)CC2)CC[NH2+]C1 ZINC000582545045 329104912 /nfs/dbraw/zinc/10/49/12/329104912.db2.gz KAJSZHADTDFRLJ-CQSZACIVSA-N 2 0 269.389 -0.051 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000582605359 329114992 /nfs/dbraw/zinc/11/49/92/329114992.db2.gz TVNQJPYMYPSQIT-DTWKUNHWSA-N 2 0 251.334 -0.189 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CCC[NH2+]1 ZINC000582665528 329121639 /nfs/dbraw/zinc/12/16/39/329121639.db2.gz JHRMIDDMDPEHHL-MNOVXSKESA-N 2 0 268.361 -0.887 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C[C@@H]1[NH3+] ZINC000582715866 329129610 /nfs/dbraw/zinc/12/96/10/329129610.db2.gz RGSABBIIHNKLOR-UZWSLXQKSA-N 2 0 294.399 -0.467 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000582733571 329133541 /nfs/dbraw/zinc/13/35/41/329133541.db2.gz HBJBPIXRUOAHDV-STQMWFEESA-N 2 0 259.394 -0.439 20 0 CBADRP CC[NH2+]CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000582894851 329282258 /nfs/dbraw/zinc/28/22/58/329282258.db2.gz UKOTXCUSIIVQIL-UHFFFAOYSA-N 3 0 273.425 -0.269 20 0 CBADRP CCC[C@](C)([NH3+])C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000583214712 329370347 /nfs/dbraw/zinc/37/03/47/329370347.db2.gz JFFPMAPJPDAVRJ-BREBYQMCSA-N 2 0 268.361 -0.726 20 0 CBADRP COC[C@]1(CNC(=O)N2CC[NH2+][C@H](C)C2)CCC[NH2+]1 ZINC000584400384 329456168 /nfs/dbraw/zinc/45/61/68/329456168.db2.gz DEIYDJGVWGKHOG-DGCLKSJQSA-N 2 0 270.377 -0.242 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000584530571 329514082 /nfs/dbraw/zinc/51/40/82/329514082.db2.gz AIHJCUXKPWEYRG-VHSXEESVSA-N 2 0 257.334 -0.537 20 0 CBADRP [NH3+][C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000583870665 329522968 /nfs/dbraw/zinc/52/29/68/329522968.db2.gz JYIUVKQWSSYJOD-QWHCGFSZSA-N 2 0 290.367 -0.329 20 0 CBADRP C[C@@H](C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[C@H](C)[NH3+] ZINC000571755031 329917738 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CC(C)C[NH+]1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000580421101 330129098 /nfs/dbraw/zinc/12/90/98/330129098.db2.gz JLDHAMPWZKPAFW-CQSZACIVSA-N 2 0 297.447 -0.127 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000580434085 330132403 /nfs/dbraw/zinc/13/24/03/330132403.db2.gz VPRFRVYIGGLXBT-NSHDSACASA-N 2 0 257.378 -0.026 20 0 CBADRP O=C([C@@H]1CCC[NH2+]C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000580428990 330133792 /nfs/dbraw/zinc/13/37/92/330133792.db2.gz JSPMXLGBZNNSSW-CHWSQXEVSA-N 2 0 266.389 -0.508 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000580445898 330139688 /nfs/dbraw/zinc/13/96/88/330139688.db2.gz LGTIXQQTQINWHH-SDDRHHMPSA-N 2 0 282.388 -0.417 20 0 CBADRP CN1CCN(C(=O)CN2CCCCCC2=O)[C@@H](C[NH3+])C1 ZINC000575399530 335100128 /nfs/dbraw/zinc/10/01/28/335100128.db2.gz FIWQEKJIUAQVAV-LBPRGKRZSA-N 2 0 282.388 -0.510 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C(F)F ZINC000575747919 335111511 /nfs/dbraw/zinc/11/15/11/335111511.db2.gz BPAKBMQALTXTAM-BDAKNGLRSA-N 2 0 292.330 -0.657 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C[C@H](C)[NH2+]1 ZINC000566914041 334669155 /nfs/dbraw/zinc/66/91/55/334669155.db2.gz VYSMFRMPQUPJJG-GRYCIOLGSA-N 2 0 292.387 -0.148 20 0 CBADRP C[NH2+][C@H](C)C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000569238676 334863082 /nfs/dbraw/zinc/86/30/82/334863082.db2.gz OBPBFJJNWPNHAL-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP COC[C@]1(CNC(=O)[C@H]2CC[NH2+][C@H]2C)CCC[NH2+]1 ZINC000569240443 334863321 /nfs/dbraw/zinc/86/33/21/334863321.db2.gz TWZGQBVTXGRTJM-GMXVVIOVSA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH+](C)C[C@H]1CCCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000569240038 334863332 /nfs/dbraw/zinc/86/33/32/334863332.db2.gz GIHKBTINJIYRLC-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000575814425 335118613 /nfs/dbraw/zinc/11/86/13/335118613.db2.gz MQBCTXPILMPBHS-WCQYABFASA-N 2 0 255.362 -0.489 20 0 CBADRP CCOC(=O)CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000172771738 335121514 /nfs/dbraw/zinc/12/15/14/335121514.db2.gz PHVCAICUKPBZEK-UHFFFAOYSA-N 2 0 285.388 -0.061 20 0 CBADRP O=C(NC1C[NH2+]C1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000575854527 335123806 /nfs/dbraw/zinc/12/38/06/335123806.db2.gz VRNOWNJUAYLPOU-UHFFFAOYSA-N 2 0 280.372 -0.839 20 0 CBADRP C[NH+](C)CC(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000575921820 335131186 /nfs/dbraw/zinc/13/11/86/335131186.db2.gz SUMZMUWBEYZKRA-NEPJUHHUSA-N 2 0 267.373 -0.225 20 0 CBADRP C[C@H](C[NH3+])NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000576015514 335141796 /nfs/dbraw/zinc/14/17/96/335141796.db2.gz ZOEDFAAUMSMAAG-LLVKDONJSA-N 3 0 259.398 -0.532 20 0 CBADRP CCCN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@@H]1CC[NH2+]C1 ZINC000576225447 335173529 /nfs/dbraw/zinc/17/35/29/335173529.db2.gz MBUGDOALIIHENO-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP CCCN(C(=O)C[C@H]1C[NH2+]CCO1)[C@H]1CC[NH2+]C1 ZINC000576225446 335173635 /nfs/dbraw/zinc/17/36/35/335173635.db2.gz MBUGDOALIIHENO-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000576226063 335173723 /nfs/dbraw/zinc/17/37/23/335173723.db2.gz NZRDNWLIMJPHFW-TUAOUCFPSA-N 2 0 292.387 -0.100 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000564328815 334111413 /nfs/dbraw/zinc/11/14/13/334111413.db2.gz UGAQNHWOEAEJIN-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP COCC1(CNC(=O)C[NH2+]C2CC2)CC[NH2+]CC1 ZINC000564839400 334523095 /nfs/dbraw/zinc/52/30/95/334523095.db2.gz HXBKLASWJHBDJX-UHFFFAOYSA-N 2 0 255.362 -0.129 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000564947217 334529840 /nfs/dbraw/zinc/52/98/40/334529840.db2.gz ZDHMFRXHTUFEMS-VIFPVBQESA-N 2 0 257.334 -0.345 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)O1 ZINC000564992188 334533038 /nfs/dbraw/zinc/53/30/38/334533038.db2.gz KGCBGWHIOSQKFO-UTUOFQBUSA-N 2 0 253.346 -0.154 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000564992807 334533147 /nfs/dbraw/zinc/53/31/47/334533147.db2.gz UKHSQKCWBWRAQF-QWRGUYRKSA-N 2 0 271.361 -0.099 20 0 CBADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)CCOC1C[NH2+]C1 ZINC000565596452 334577558 /nfs/dbraw/zinc/57/75/58/334577558.db2.gz HMYKBMBOVAGVRJ-QLHKPRNWSA-N 2 0 267.373 -0.003 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565845425 334602636 /nfs/dbraw/zinc/60/26/36/334602636.db2.gz YXPTXKAWTQUPBL-MNOVXSKESA-N 2 0 297.403 -0.543 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000565891221 334606627 /nfs/dbraw/zinc/60/66/27/334606627.db2.gz RMULWHRVYUKVKN-UTUOFQBUSA-N 2 0 282.388 -0.641 20 0 CBADRP COC[C@@]1(CNC(=O)C2CC[NH2+]CC2)CCC[NH2+]1 ZINC000566204615 334635649 /nfs/dbraw/zinc/63/56/49/334635649.db2.gz UHIBGFFQYMFRRO-ZDUSSCGKSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000566210933 334635870 /nfs/dbraw/zinc/63/58/70/334635870.db2.gz ABVVMJSZDPVVLJ-NQBHXWOUSA-N 2 0 253.346 -0.519 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000566246863 334638480 /nfs/dbraw/zinc/63/84/80/334638480.db2.gz JBIJLWMCRFVFOR-JOYOIKCWSA-N 2 0 259.350 -0.244 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000566551308 334654888 /nfs/dbraw/zinc/65/48/88/334654888.db2.gz OPDQQEGZFBFMOP-TZMCWYRMSA-N 2 0 275.352 -0.022 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000566551305 334654931 /nfs/dbraw/zinc/65/49/31/334654931.db2.gz OPDQQEGZFBFMOP-GXTWGEPZSA-N 2 0 275.352 -0.022 20 0 CBADRP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000566748229 334662883 /nfs/dbraw/zinc/66/28/83/334662883.db2.gz IREXKVFIBXRARI-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH+](C)CCOCCNC(=O)CCOC1C[NH2+]C1 ZINC000567047221 334676525 /nfs/dbraw/zinc/67/65/25/334676525.db2.gz RNCXMKJHIAULSH-UHFFFAOYSA-N 2 0 259.350 -0.941 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000567049714 334676749 /nfs/dbraw/zinc/67/67/49/334676749.db2.gz KRMMWLINFDXUJA-VIFPVBQESA-N 2 0 257.334 -0.345 20 0 CBADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000567271696 334700026 /nfs/dbraw/zinc/70/00/26/334700026.db2.gz LRLZNLSXOREOLY-VHSXEESVSA-N 2 0 270.377 -0.656 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000567604785 334739407 /nfs/dbraw/zinc/73/94/07/334739407.db2.gz BRQIDQDQXGNRAM-SKDRFNHKSA-N 2 0 264.329 -0.190 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000567679173 334751069 /nfs/dbraw/zinc/75/10/69/334751069.db2.gz NRWIQGRMJXAULC-SCRDCRAPSA-N 2 0 267.373 -0.035 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000567831211 334765670 /nfs/dbraw/zinc/76/56/70/334765670.db2.gz UPCAYUVAORNSEC-MRVPVSSYSA-N 2 0 267.337 -0.864 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000567838150 334766729 /nfs/dbraw/zinc/76/67/29/334766729.db2.gz PQHVKYPBVXEGRK-ZJUUUORDSA-N 2 0 256.350 -0.902 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000567838224 334766886 /nfs/dbraw/zinc/76/68/86/334766886.db2.gz UXMVXCPTDQTGHB-QWRGUYRKSA-N 2 0 268.361 -0.935 20 0 CBADRP C[C@H](Cn1cccn1)[NH2+]CCC(=O)N1CC[NH2+]CC1 ZINC000567895380 334772950 /nfs/dbraw/zinc/77/29/50/334772950.db2.gz FZMKRIPBFKPCOO-GFCCVEGCSA-N 2 0 265.361 -0.317 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000567900027 334773527 /nfs/dbraw/zinc/77/35/27/334773527.db2.gz HRXVSHVKDYVLNP-WZRBSPASSA-N 2 0 284.404 -0.280 20 0 CBADRP C[NH2+]CCC1CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000567908036 334774591 /nfs/dbraw/zinc/77/45/91/334774591.db2.gz PGOQEOSPYPPQIR-AWEZNQCLSA-N 2 0 298.431 -0.066 20 0 CBADRP CCN(C(=O)COC1C[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000568232583 334806791 /nfs/dbraw/zinc/80/67/91/334806791.db2.gz VRXNXWIOTXMSFL-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP CCN(C(=O)COC1C[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000568232584 334806823 /nfs/dbraw/zinc/80/68/23/334806823.db2.gz VRXNXWIOTXMSFL-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH2+][C@H](C(=O)N1CCC[C@@H]([NH2+]C)C1)c1cnn(C)c1 ZINC000568508764 334827662 /nfs/dbraw/zinc/82/76/62/334827662.db2.gz PPCWIMRSOLKTIH-NEPJUHHUSA-N 2 0 265.361 -0.109 20 0 CBADRP [NH3+]C[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)C1CCCC1 ZINC000568620391 334832789 /nfs/dbraw/zinc/83/27/89/334832789.db2.gz YUXCCLCMFCKUNJ-NWDGAFQWSA-N 2 0 255.362 -0.001 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569225425 334862205 /nfs/dbraw/zinc/86/22/05/334862205.db2.gz NDPDUEIRABDRFX-YPMHNXCESA-N 2 0 255.362 -0.048 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N[C@H]1C[NH2+]CCC1(F)F ZINC000572641084 334868566 /nfs/dbraw/zinc/86/85/66/334868566.db2.gz ORACICAKTWOTKQ-IUCAKERBSA-N 2 0 263.288 -0.522 20 0 CBADRP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)C1CC[NH2+]CC1 ZINC000572719578 334873840 /nfs/dbraw/zinc/87/38/40/334873840.db2.gz CPXCEJNJXVENTR-UHFFFAOYSA-N 2 0 279.348 -0.848 20 0 CBADRP COC[C@]1(CNC(=O)[C@@H]([NH3+])C2CCC2)CCC[NH2+]1 ZINC000572760514 334876147 /nfs/dbraw/zinc/87/61/47/334876147.db2.gz UAFYDFVSYZSJRB-WCQYABFASA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH+]1CCC(CNC2=[NH+]CCCN2)(N2CCOCC2)CC1 ZINC000572855908 334885034 /nfs/dbraw/zinc/88/50/34/334885034.db2.gz REDUMMZOVUARQC-UHFFFAOYSA-N 2 0 295.431 -0.278 20 0 CBADRP CCCNS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000572935416 334892258 /nfs/dbraw/zinc/89/22/58/334892258.db2.gz DOIJDSOOSKHLRO-UHFFFAOYSA-N 2 0 280.438 -0.344 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@H]1C[NH2+]CCC1(F)F ZINC000572959268 334894863 /nfs/dbraw/zinc/89/48/63/334894863.db2.gz BBHAANSZSNOYES-UWVGGRQHSA-N 2 0 277.315 -0.132 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN(C)CCNC(=O)N(C)C ZINC000576289213 335184203 /nfs/dbraw/zinc/18/42/03/335184203.db2.gz YETTWBNVZCJNJB-NSHDSACASA-N 2 0 260.382 -0.498 20 0 CBADRP CC[NH2+]CCCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000576339860 335191145 /nfs/dbraw/zinc/19/11/45/335191145.db2.gz ZQSXDSUNGCQFDK-QWHCGFSZSA-N 2 0 294.403 -0.144 20 0 CBADRP C[C@@H](CN(C)C)[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000576459643 335206141 /nfs/dbraw/zinc/20/61/41/335206141.db2.gz IVIIIDUQQHUVCC-FQUUOJAGSA-N 2 0 273.421 -0.004 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H]1c1ccccc1 ZINC000576466984 335207811 /nfs/dbraw/zinc/20/78/11/335207811.db2.gz VQJPVDKYOUORQF-CBBWQLFWSA-N 2 0 289.379 -0.090 20 0 CBADRP [NH3+]C1(C(=O)NCC(=O)N2CC[NH2+]CC2)CCCCC1 ZINC000576508613 335212668 /nfs/dbraw/zinc/21/26/68/335212668.db2.gz PCMAQLYYCQHBKP-UHFFFAOYSA-N 2 0 268.361 -0.804 20 0 CBADRP C[N@H+](C[C@H](O)CNC[C@@H]1CCC[NH+]1CCCO)C1CC1 ZINC000576585169 335222444 /nfs/dbraw/zinc/22/24/44/335222444.db2.gz RQGZPTVXZGUNJW-LSDHHAIUSA-N 2 0 285.432 -0.122 20 0 CBADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000576730355 335241067 /nfs/dbraw/zinc/24/10/67/335241067.db2.gz YFGQKAQYOXEHIG-CQSZACIVSA-N 2 0 297.447 -0.127 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)NCC[N@H+]1CC=CCC1 ZINC000576808176 335249740 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CC[NH2+]CCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000576986770 335273859 /nfs/dbraw/zinc/27/38/59/335273859.db2.gz WRUMQCHHSHRSAJ-NSHDSACASA-N 2 0 270.377 -0.640 20 0 CBADRP C[NH2+]CCC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000576988149 335274269 /nfs/dbraw/zinc/27/42/69/335274269.db2.gz GPQIWPKDRLPIHT-LLVKDONJSA-N 2 0 270.377 -0.558 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)CN2CCNCC2=O)CC[N@@H+]1C ZINC000580560468 335280972 /nfs/dbraw/zinc/28/09/72/335280972.db2.gz HIYIAFSDOMRKRS-MNOVXSKESA-N 2 0 268.361 -0.983 20 0 CBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000580583773 335291229 /nfs/dbraw/zinc/29/12/29/335291229.db2.gz YTNMZAPUTJPFDV-NEPJUHHUSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC[NH2+]1 ZINC000577060520 335293056 /nfs/dbraw/zinc/29/30/56/335293056.db2.gz NBFGDQGSXBRTLY-MNOVXSKESA-N 2 0 278.360 -0.536 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC[NH2+]1 ZINC000577060516 335293086 /nfs/dbraw/zinc/29/30/86/335293086.db2.gz NBFGDQGSXBRTLY-GHMZBOCLSA-N 2 0 278.360 -0.536 20 0 CBADRP CCS(=O)(=O)NCCC[NH+]1CCC(C[NH3+])CC1 ZINC000577062486 335293760 /nfs/dbraw/zinc/29/37/60/335293760.db2.gz MEIAGNIZMRDABK-UHFFFAOYSA-N 2 0 263.407 -0.014 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@H]1N1CCOCC1 ZINC000577066102 335294454 /nfs/dbraw/zinc/29/44/54/335294454.db2.gz JKKGUEAJZMBQEP-BHPKHCPMSA-N 2 0 279.384 -0.083 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000577102090 335300219 /nfs/dbraw/zinc/30/02/19/335300219.db2.gz HATPYXHBHBGZGY-NSHDSACASA-N 2 0 271.361 -0.134 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000577103859 335300581 /nfs/dbraw/zinc/30/05/81/335300581.db2.gz BWDFODUBQIXWDM-IUCAKERBSA-N 2 0 281.364 -0.474 20 0 CBADRP C[NH2+]CCC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000580645413 335310542 /nfs/dbraw/zinc/31/05/42/335310542.db2.gz AGTKMCBIYYIZAZ-LBPRGKRZSA-N 2 0 282.388 -0.734 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000577270574 335332666 /nfs/dbraw/zinc/33/26/66/335332666.db2.gz NEFKJEMIQRAJBL-KGYLQXTDSA-N 2 0 294.399 -0.465 20 0 CBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000577374858 335344450 /nfs/dbraw/zinc/34/44/50/335344450.db2.gz HRIMYHYBUZBKJB-NXEZZACHSA-N 2 0 268.361 -0.889 20 0 CBADRP O=C(Cn1ccnc1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000577404340 335349121 /nfs/dbraw/zinc/34/91/21/335349121.db2.gz JVOOXSZSUWWDAR-LBPRGKRZSA-N 2 0 266.345 -0.154 20 0 CBADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000577405557 335349274 /nfs/dbraw/zinc/34/92/74/335349274.db2.gz YTYDMOCTFHRZPX-ZDUSSCGKSA-N 3 0 259.394 -0.213 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000577489235 335355241 /nfs/dbraw/zinc/35/52/41/335355241.db2.gz QVTAEKNCQORZAS-DCAQKATOSA-N 3 0 257.382 -0.604 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)N1CC[NH+](C)CC1 ZINC000577489820 335358127 /nfs/dbraw/zinc/35/81/27/335358127.db2.gz ZGGIVRKDHLMIBP-AGIUHOORSA-N 2 0 268.405 -0.264 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)N1CC[NH+](C)CC1 ZINC000577489821 335358223 /nfs/dbraw/zinc/35/82/23/335358223.db2.gz ZGGIVRKDHLMIBP-AVGNSLFASA-N 2 0 268.405 -0.264 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000577725974 335392913 /nfs/dbraw/zinc/39/29/13/335392913.db2.gz GUBJSLCMDJGHFT-LLVKDONJSA-N 2 0 280.376 -0.159 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000577751527 335397589 /nfs/dbraw/zinc/39/75/89/335397589.db2.gz JIZWKRPQLUUPGZ-SDDRHHMPSA-N 2 0 284.404 -0.219 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cnn(C)c1 ZINC000578321119 335608069 /nfs/dbraw/zinc/60/80/69/335608069.db2.gz VEPUTCQCDSJLJR-WZRBSPASSA-N 2 0 277.372 -0.252 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NCC[C@H]2CCC[NH2+]2)nn1 ZINC000578878877 335684090 /nfs/dbraw/zinc/68/40/90/335684090.db2.gz NUPZLPPUMPRHIA-SNVBAGLBSA-N 2 0 266.349 -0.501 20 0 CBADRP C[NH2+][C@@H](C)C(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC000579141963 335715986 /nfs/dbraw/zinc/71/59/86/335715986.db2.gz VRKAAEOINHVJGH-NSHDSACASA-N 2 0 285.388 -0.014 20 0 CBADRP CC(C)(CC[NH3+])NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000579233300 335724692 /nfs/dbraw/zinc/72/46/92/335724692.db2.gz FEINNITXKGKYOH-SNVBAGLBSA-N 2 0 280.376 -0.113 20 0 CBADRP [NH3+]CC(=O)NCC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000579350981 335737323 /nfs/dbraw/zinc/73/73/23/335737323.db2.gz DABNQWNFVLFHSP-UHFFFAOYSA-N 2 0 262.313 -0.654 20 0 CBADRP COC[C@]1(CNC(=O)[C@@]2(C)CC[NH2+]C2)CCC[NH2+]1 ZINC000579823707 335894363 /nfs/dbraw/zinc/89/43/63/335894363.db2.gz FBIMKCSUMRUTHK-QWHCGFSZSA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000580946510 335987509 /nfs/dbraw/zinc/98/75/09/335987509.db2.gz IJBQOAUMPIMMBG-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@H]1OCC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H]1C ZINC000380600207 336003545 /nfs/dbraw/zinc/00/35/45/336003545.db2.gz ZXQWUECQIWZBHI-VXGBXAGGSA-N 2 0 255.362 -0.083 20 0 CBADRP CC[NH2+]CC1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000581130559 336012374 /nfs/dbraw/zinc/01/23/74/336012374.db2.gz QPHJXRGZEWWJMA-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP CCC[C@H]1CN(C(=O)COC2C[NH2+]C2)CC[N@@H+]1CCOC ZINC000581192833 336022186 /nfs/dbraw/zinc/02/21/86/336022186.db2.gz HRZVRXUTLJIVIW-ZDUSSCGKSA-N 2 0 299.415 -0.066 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000581193983 336022725 /nfs/dbraw/zinc/02/27/25/336022725.db2.gz ZCUKCAIDMUNJGT-WZRBSPASSA-N 2 0 284.404 -0.471 20 0 CBADRP Cn1ccnc(N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)c1=O ZINC000581194239 336022835 /nfs/dbraw/zinc/02/28/35/336022835.db2.gz XYBUGQOLVCGNDT-CYBMUJFWSA-N 2 0 291.399 -0.098 20 0 CBADRP CC[NH2+]CCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000581249627 336031828 /nfs/dbraw/zinc/03/18/28/336031828.db2.gz ANTPBHZJLCLTHD-VIFPVBQESA-N 2 0 251.334 -0.174 20 0 CBADRP O=C(C[NH2+]C1CC1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000581305149 336044116 /nfs/dbraw/zinc/04/41/16/336044116.db2.gz QOADXESBCSUMLG-SNVBAGLBSA-N 2 0 294.321 -0.309 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C[NH2+]C1CC1 ZINC000581308541 336045216 /nfs/dbraw/zinc/04/52/16/336045216.db2.gz SCUZHSAUHZUELO-LLVKDONJSA-N 2 0 254.378 -0.510 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]1)NCC[N@@H+]1CCCOCC1 ZINC000581368451 336062547 /nfs/dbraw/zinc/06/25/47/336062547.db2.gz IOHNJCIZGMTECG-LBPRGKRZSA-N 2 0 255.362 -0.033 20 0 CBADRP [NH3+]C[C@@H](NC(=O)C(=O)N1CCN2CCCC[C@H]2C1)C1CC1 ZINC000581419706 336074168 /nfs/dbraw/zinc/07/41/68/336074168.db2.gz LZUUGZQVCGVIEB-QWHCGFSZSA-N 2 0 294.399 -0.463 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2COC[C@H]2OC)CC1 ZINC000581487013 336087784 /nfs/dbraw/zinc/08/77/84/336087784.db2.gz ODUHWIGQTJTURZ-CHWSQXEVSA-N 2 0 285.388 -0.410 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000581499888 336091101 /nfs/dbraw/zinc/09/11/01/336091101.db2.gz VWJWBZFHNZQZFX-SDDRHHMPSA-N 2 0 252.362 -0.770 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000581538693 336097256 /nfs/dbraw/zinc/09/72/56/336097256.db2.gz ONGABHACFMFRNJ-KGYLQXTDSA-N 2 0 294.399 -0.465 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000581538695 336097288 /nfs/dbraw/zinc/09/72/88/336097288.db2.gz ONGABHACFMFRNJ-RTXFEEFZSA-N 2 0 294.399 -0.465 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)NCCN1CC[NH+](C)CC1 ZINC000383010778 336101773 /nfs/dbraw/zinc/10/17/73/336101773.db2.gz DRBVOIILIWEKGO-NSHDSACASA-N 2 0 254.378 -0.510 20 0 CBADRP CCN1CCO[C@H](C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000581607200 336111413 /nfs/dbraw/zinc/11/14/13/336111413.db2.gz MPZYBEHQFXZSND-TUAOUCFPSA-N 2 0 255.362 -0.049 20 0 CBADRP CCN1CCO[C@H](C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000581607202 336111482 /nfs/dbraw/zinc/11/14/82/336111482.db2.gz MPZYBEHQFXZSND-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NCCC1CC[NH+](C)CC1 ZINC000581665044 336120508 /nfs/dbraw/zinc/12/05/08/336120508.db2.gz QNIWEYPDCQUPNV-NSHDSACASA-N 2 0 271.361 -0.275 20 0 CBADRP CC(C)[NH2+]CCC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000581822674 336147156 /nfs/dbraw/zinc/14/71/56/336147156.db2.gz JIFPAZIIGYBMII-ZDUSSCGKSA-N 2 0 268.405 -0.119 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000581822959 336147479 /nfs/dbraw/zinc/14/74/79/336147479.db2.gz YZSCHHKQZJYDIU-MJBXVCDLSA-N 2 0 280.416 -0.119 20 0 CBADRP [NH3+][C@@H](CC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000581823631 336147604 /nfs/dbraw/zinc/14/76/04/336147604.db2.gz SLZVZDOMPDCARS-ZDUSSCGKSA-N 2 0 290.367 -0.376 20 0 CBADRP [NH3+]CC[C@H](NC(=O)C[C@H]1COCC[NH2+]1)C(F)(F)F ZINC000581879209 336157086 /nfs/dbraw/zinc/15/70/86/336157086.db2.gz XCOBLZDJCZVTIY-YUMQZZPRSA-N 2 0 269.267 -0.239 20 0 CBADRP CC(C)[C@@H](CNC(=O)COC1C[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000581882234 336158635 /nfs/dbraw/zinc/15/86/35/336158635.db2.gz KFDZUUAUYGVGMU-CQSZACIVSA-N 2 0 298.431 -0.637 20 0 CBADRP C[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000354694753 533890025 /nfs/dbraw/zinc/89/00/25/533890025.db2.gz QTPKLFYMSIERBI-WCQYABFASA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424170675 517903451 /nfs/dbraw/zinc/90/34/51/517903451.db2.gz KKYZJPQOMXTBCO-SNVBAGLBSA-N 2 0 266.349 -0.506 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000570961877 518197438 /nfs/dbraw/zinc/19/74/38/518197438.db2.gz BYJSCOIPWPDLCR-SDDRHHMPSA-N 2 0 282.388 -0.512 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000354694007 534426781 /nfs/dbraw/zinc/42/67/81/534426781.db2.gz PSTGQGIQYXMZBW-DGCLKSJQSA-N 2 0 294.399 -0.402 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](CO)C2)CC1 ZINC000157367085 521572893 /nfs/dbraw/zinc/57/28/93/521572893.db2.gz QVJKPDSLQUOTKP-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000164292313 524948870 /nfs/dbraw/zinc/94/88/70/524948870.db2.gz SRVPZLWWEVTWGY-RNJOBUHISA-N 2 0 285.388 -0.675 20 0 CBADRP CC[N@@H+]1CCC[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000354678683 529087858 /nfs/dbraw/zinc/08/78/58/529087858.db2.gz PYEHDIAFMDQLPJ-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](C)C[NH3+])CC1 ZINC000357234544 535714085 /nfs/dbraw/zinc/71/40/85/535714085.db2.gz AYHOHZSPBSORAF-CHWSQXEVSA-N 2 0 270.421 -0.029 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C)C[NH3+])CC1 ZINC000357229895 535728649 /nfs/dbraw/zinc/72/86/49/535728649.db2.gz WHIJOWCRNWPARA-NEPJUHHUSA-N 2 0 256.394 -0.277 20 0 CBADRP CC[NH2+]CC(=O)NCCCN1CC[NH+](CC)CC1 ZINC000844192405 583260044 /nfs/dbraw/zinc/26/00/44/583260044.db2.gz PMWFSUXXDQLDAL-UHFFFAOYSA-N 2 0 256.394 -0.260 20 0 CBADRP [NH3+]CCCCCCC(=O)NCCN1CC[NH2+]CC1 ZINC000125632291 582120938 /nfs/dbraw/zinc/12/09/38/582120938.db2.gz NDKMYJCBQLQGJT-UHFFFAOYSA-N 2 0 256.394 -0.083 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000128973964 582122824 /nfs/dbraw/zinc/12/28/24/582122824.db2.gz IXGATTNYYAFMCK-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)c1cn(CC[NH3+])nn1 ZINC000230711702 582129413 /nfs/dbraw/zinc/12/94/13/582129413.db2.gz CTFTUOPCCLVATG-UHFFFAOYSA-N 2 0 268.365 -0.349 20 0 CBADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NCC[NH3+] ZINC000230696046 582129437 /nfs/dbraw/zinc/12/94/37/582129437.db2.gz FSPDOGJFDFLZDM-UHFFFAOYSA-N 2 0 272.393 -0.358 20 0 CBADRP O=C1C[NH+](CCCCC[N@@H+]2CCCNC(=O)C2)CCCN1 ZINC000740875990 582265604 /nfs/dbraw/zinc/26/56/04/582265604.db2.gz LNMYOEALYILHCG-UHFFFAOYSA-N 2 0 296.415 -0.200 20 0 CBADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCS(N)(=O)=O)C1 ZINC000746675209 582285171 /nfs/dbraw/zinc/28/51/71/582285171.db2.gz LKDRFHLGLBUUTM-LBPRGKRZSA-N 2 0 293.433 -0.292 20 0 CBADRP C[C@@H](C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+](C)C ZINC000750017217 582290687 /nfs/dbraw/zinc/29/06/87/582290687.db2.gz KEBYRPAEYRPZQV-QJPTWQEYSA-N 2 0 255.362 -0.084 20 0 CBADRP O=C(NCC[NH+]1CCC1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000752666713 582295433 /nfs/dbraw/zinc/29/54/33/582295433.db2.gz IWDMVSYMUOSEII-QWHCGFSZSA-N 2 0 282.388 -0.146 20 0 CBADRP C[NH+](C)CCCCC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000762715437 582318046 /nfs/dbraw/zinc/31/80/46/582318046.db2.gz HEQPWHFSYLNZOW-ZDUSSCGKSA-N 2 0 257.378 -0.099 20 0 CBADRP C[C@]1(C(N)=O)CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000796581450 582412092 /nfs/dbraw/zinc/41/20/92/582412092.db2.gz QGSCYFFHHIPUPY-YPMHNXCESA-N 2 0 255.362 -0.360 20 0 CBADRP Cc1cc(N2CCC([NH2+]CCO)CC2)nc(N)[nH+]1 ZINC000811824076 582451415 /nfs/dbraw/zinc/45/14/15/582451415.db2.gz GSXQNAGPGWRTHD-UHFFFAOYSA-N 2 0 251.334 -0.082 20 0 CBADRP CC[NH+]1CCN(CCC[NH2+]Cc2cnn(C)n2)CC1 ZINC000815115176 582460602 /nfs/dbraw/zinc/46/06/02/582460602.db2.gz WMVOXUFKRHXAIV-UHFFFAOYSA-N 2 0 266.393 -0.068 20 0 CBADRP CC[NH2+]CC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000818586128 582512246 /nfs/dbraw/zinc/51/22/46/582512246.db2.gz SAEMLZAWAGPUGY-LLVKDONJSA-N 2 0 270.377 -0.558 20 0 CBADRP C[NH+]1CCC(OCC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000827749890 582831533 /nfs/dbraw/zinc/83/15/33/582831533.db2.gz STHUZXMMTXYHDP-LBPRGKRZSA-N 2 0 285.388 -0.720 20 0 CBADRP C[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000830134288 582921324 /nfs/dbraw/zinc/92/13/24/582921324.db2.gz COZKIEBPSBKVIY-ZDEQEGDKSA-N 2 0 294.399 -0.737 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000831539949 582985373 /nfs/dbraw/zinc/98/53/73/582985373.db2.gz BTUWFXDYWFLCJC-DTWKUNHWSA-N 2 0 263.345 -0.122 20 0 CBADRP [NH3+][C@H](CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)C1CC1 ZINC000831644567 582991950 /nfs/dbraw/zinc/99/19/50/582991950.db2.gz YWBHKXZAQDVETJ-CHWSQXEVSA-N 2 0 266.389 -0.380 20 0 CBADRP [NH3+][C@@H](CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000831682543 582993731 /nfs/dbraw/zinc/99/37/31/582993731.db2.gz ABVCMIZXJHEXME-STQMWFEESA-N 2 0 266.389 -0.380 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000831971115 583008841 /nfs/dbraw/zinc/00/88/41/583008841.db2.gz SGKJTUNEQHSMIB-LLVKDONJSA-N 2 0 280.376 -0.159 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000831971513 583009348 /nfs/dbraw/zinc/00/93/48/583009348.db2.gz ZRMNJJDTCVFGQO-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831971332 583009372 /nfs/dbraw/zinc/00/93/72/583009372.db2.gz VJMODBRMISEUCI-GHMZBOCLSA-N 2 0 271.361 -0.133 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000832526405 583027790 /nfs/dbraw/zinc/02/77/90/583027790.db2.gz DHKDEHJPWOMONY-NWDGAFQWSA-N 2 0 282.388 -0.573 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000834437868 583123254 /nfs/dbraw/zinc/12/32/54/583123254.db2.gz SWMKBQJREYCICZ-JTQLQIEISA-N 2 0 269.345 -0.521 20 0 CBADRP C[C@H]1CN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH2+]1 ZINC000841790807 583174424 /nfs/dbraw/zinc/17/44/24/583174424.db2.gz KLELBMHZCDBKRP-AVGNSLFASA-N 2 0 282.388 -0.147 20 0 CBADRP C[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH2+]1 ZINC000841790813 583174670 /nfs/dbraw/zinc/17/46/70/583174670.db2.gz KLELBMHZCDBKRP-YNEHKIRRSA-N 2 0 282.388 -0.147 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000841851824 583175196 /nfs/dbraw/zinc/17/51/96/583175196.db2.gz PPPBNDLUYCFIBA-WOPDTQHZSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000841850192 583175288 /nfs/dbraw/zinc/17/52/88/583175288.db2.gz CWYSUDOCYUMNSG-QJPTWQEYSA-N 2 0 255.362 -0.036 20 0 CBADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@]1(F)CC[NH2+]C1 ZINC000841852269 583175391 /nfs/dbraw/zinc/17/53/91/583175391.db2.gz ISOJHXGVASZJFG-IONNQARKSA-N 2 0 251.252 -0.199 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000841983930 583177439 /nfs/dbraw/zinc/17/74/39/583177439.db2.gz ZOEDFAAUMSMAAG-NSHDSACASA-N 3 0 259.398 -0.532 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000842014291 583177704 /nfs/dbraw/zinc/17/77/04/583177704.db2.gz BTARHBCISALHNN-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000842014923 583177761 /nfs/dbraw/zinc/17/77/61/583177761.db2.gz GOIXFLDIEPQVHG-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000842130375 583179676 /nfs/dbraw/zinc/17/96/76/583179676.db2.gz NTYKKRRSSGFMLC-CHWSQXEVSA-N 2 0 296.415 -0.156 20 0 CBADRP O=S(=O)(C1CN(CC2CC2)C1)N1CCNCC1 ZINC000843054851 583198674 /nfs/dbraw/zinc/19/86/74/583198674.db2.gz KQSPLKYAPYHLBS-UHFFFAOYSA-N 2 0 259.375 -0.684 20 0 CBADRP CC(C)C[C@@H](O)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000843067980 583199592 /nfs/dbraw/zinc/19/95/92/583199592.db2.gz CYJDPXSTHPBLGB-KGLIPLIRSA-N 2 0 273.421 -0.409 20 0 CBADRP [NH3+]CC1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000843302221 583207531 /nfs/dbraw/zinc/20/75/31/583207531.db2.gz KSOGOZLAXIVIKU-GFCCVEGCSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]CC1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000843302223 583207648 /nfs/dbraw/zinc/20/76/48/583207648.db2.gz KSOGOZLAXIVIKU-LBPRGKRZSA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000843326858 583209071 /nfs/dbraw/zinc/20/90/71/583209071.db2.gz XESSOYUYSUPFOC-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)C[C@H]([NH3+])C1CC1 ZINC000843337853 583209995 /nfs/dbraw/zinc/20/99/95/583209995.db2.gz CUJDSWJLTRZLTF-LBPRGKRZSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@H](NC(=O)C[N@H+](C)C1CCC([NH3+])CC1)C(=O)N(C)C ZINC000843355416 583212157 /nfs/dbraw/zinc/21/21/57/583212157.db2.gz NXNRTJVTYKVGLJ-UNXYVOJBSA-N 2 0 284.404 -0.219 20 0 CBADRP O=C1OCCN1CC[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000843369063 583213022 /nfs/dbraw/zinc/21/30/22/583213022.db2.gz CIJVEGPXSOLZIA-GFCCVEGCSA-N 2 0 296.371 -0.665 20 0 CBADRP O=C1OCCN1CC[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000843369070 583213085 /nfs/dbraw/zinc/21/30/85/583213085.db2.gz CIJVEGPXSOLZIA-LBPRGKRZSA-N 2 0 296.371 -0.665 20 0 CBADRP O=C(CC[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)N1CC[NH2+]CC1 ZINC000843390873 583215053 /nfs/dbraw/zinc/21/50/53/583215053.db2.gz IEQCSJVVDIIANV-NEPJUHHUSA-N 2 0 296.371 -0.761 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000843455645 583221210 /nfs/dbraw/zinc/22/12/10/583221210.db2.gz SBQDWCSLBJCNHM-SRVKXCTJSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CCNC(=O)c1ccccc1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000843471370 583224565 /nfs/dbraw/zinc/22/45/65/583224565.db2.gz FHOLDCLASFLZSN-GFCCVEGCSA-N 2 0 292.339 -0.698 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000843481172 583226441 /nfs/dbraw/zinc/22/64/41/583226441.db2.gz PWJPYYYXRSJLJW-KGLIPLIRSA-N 2 0 296.415 -0.739 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)CO[C@H]1CCC[NH2+]C1)C(F)F ZINC000843483138 583226684 /nfs/dbraw/zinc/22/66/84/583226684.db2.gz DQFVTRGPMHGYAV-DTWKUNHWSA-N 2 0 265.304 -0.146 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000843487144 583227471 /nfs/dbraw/zinc/22/74/71/583227471.db2.gz ZXWIZDVYHSJGGU-GRYCIOLGSA-N 2 0 255.362 -0.001 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843489211 583227714 /nfs/dbraw/zinc/22/77/14/583227714.db2.gz IXWVZJKMXZMXBW-ZDUSSCGKSA-N 2 0 287.404 -0.208 20 0 CBADRP C[NH+](C)CCOCCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843494439 583229158 /nfs/dbraw/zinc/22/91/58/583229158.db2.gz DPDPOJCJQAQBAN-GFCCVEGCSA-N 2 0 273.377 -0.551 20 0 CBADRP CN(C(=O)CO[C@H]1CCC[NH2+]C1)[C@H](C[NH3+])C1CC1 ZINC000843499219 583230499 /nfs/dbraw/zinc/23/04/99/583230499.db2.gz XLRKXCMANQYEGA-NWDGAFQWSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)CCCO1 ZINC000843499232 583230505 /nfs/dbraw/zinc/23/05/05/583230505.db2.gz XLRMZKZUXXMDRI-RYUDHWBXSA-N 2 0 271.361 -0.669 20 0 CBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000843504883 583231925 /nfs/dbraw/zinc/23/19/25/583231925.db2.gz CXVYXOXOAGBSLJ-SFYZADRCSA-N 2 0 251.334 -0.089 20 0 CBADRP [NH3+]CCCCCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000843511367 583232441 /nfs/dbraw/zinc/23/24/41/583232441.db2.gz AKFCFHJJEXWBQD-LBPRGKRZSA-N 2 0 284.404 -0.120 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844174691 583256800 /nfs/dbraw/zinc/25/68/00/583256800.db2.gz AMTNIZCJSMDNGK-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844181470 583258392 /nfs/dbraw/zinc/25/83/92/583258392.db2.gz RFFJPMUEUBNULD-ZIAGYGMSSA-N 2 0 299.415 -0.018 20 0 CBADRP COCC[N@H+](C)CCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844182605 583258795 /nfs/dbraw/zinc/25/87/95/583258795.db2.gz UGDLCASCYRUUJQ-LBPRGKRZSA-N 2 0 273.377 -0.551 20 0 CBADRP CC[NH2+]CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000844188706 583259428 /nfs/dbraw/zinc/25/94/28/583259428.db2.gz YHGMIEBQSZOKIL-GFCCVEGCSA-N 2 0 255.362 -0.223 20 0 CBADRP CC[NH2+]CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000844185519 583259440 /nfs/dbraw/zinc/25/94/40/583259440.db2.gz KVEYQMVFHJDSCX-UHFFFAOYSA-N 2 0 296.375 -0.891 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844192255 583259896 /nfs/dbraw/zinc/25/98/96/583259896.db2.gz WFTWBQWMKHJPQQ-STQMWFEESA-N 2 0 284.404 -0.883 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844191536 583260000 /nfs/dbraw/zinc/26/00/00/583260000.db2.gz WVSCXUIRGLOELE-KGLIPLIRSA-N 2 0 298.431 -0.493 20 0 CBADRP C[C@@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000844190156 583260055 /nfs/dbraw/zinc/26/00/55/583260055.db2.gz CORSZMOXZANJIV-UONOGXRCSA-N 2 0 298.431 -0.493 20 0 CBADRP CC[NH2+]CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000844189829 583260078 /nfs/dbraw/zinc/26/00/78/583260078.db2.gz VETFWVLQVQUBQR-LBPRGKRZSA-N 2 0 255.362 -0.223 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000844192448 583260116 /nfs/dbraw/zinc/26/01/16/583260116.db2.gz SEIJYPOAUZIVFG-GFCCVEGCSA-N 2 0 258.341 -0.948 20 0 CBADRP C[NH+](C)CCN1CCN(C[C@H](O)C[NH+]2CCCC2)CC1=O ZINC000844377975 583269569 /nfs/dbraw/zinc/26/95/69/583269569.db2.gz IZFBULWXNAOURM-CQSZACIVSA-N 2 0 298.431 -0.851 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000846172316 583354649 /nfs/dbraw/zinc/35/46/49/583354649.db2.gz KIBRBAMTEQDMGQ-JTQLQIEISA-N 2 0 258.366 -0.256 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)NCCC[N@H+](C)CC(C)C ZINC000846346008 583359606 /nfs/dbraw/zinc/35/96/06/583359606.db2.gz CQUWHFREABOTEV-UHFFFAOYSA-N 2 0 286.420 -0.242 20 0 CBADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000846701399 583384631 /nfs/dbraw/zinc/38/46/31/583384631.db2.gz FQGXWTPZJKCWSO-VXGBXAGGSA-N 2 0 283.372 -0.572 20 0 CBADRP C[N@@H+]1CCC[C@@H](CN[C@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000846701398 583384658 /nfs/dbraw/zinc/38/46/58/583384658.db2.gz FQGXWTPZJKCWSO-RYUDHWBXSA-N 2 0 283.372 -0.572 20 0 CBADRP C[NH2+][C@@H](C)C(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000848422991 583445772 /nfs/dbraw/zinc/44/57/72/583445772.db2.gz WESJBQDYZOKNAS-VIFPVBQESA-N 2 0 264.329 -0.079 20 0 CBADRP CN1CC[NH+](CCCCNC(=[NH2+])N2CCOCC2)CC1 ZINC000848989558 583464462 /nfs/dbraw/zinc/46/44/62/583464462.db2.gz WTRVKYZZYCYWII-UHFFFAOYSA-N 2 0 283.420 -0.129 20 0 CBADRP CC[NH+]1CCN(CCNC(=[NH2+])N2CCO[C@@H](C)C2)CC1 ZINC000848987824 583464539 /nfs/dbraw/zinc/46/45/39/583464539.db2.gz DQGIZZAPVISOSI-ZDUSSCGKSA-N 2 0 283.420 -0.131 20 0 CBADRP COCCNC(=[NH2+])NCCC[NH+]1CCC(O)CC1 ZINC000848987900 583464709 /nfs/dbraw/zinc/46/47/09/583464709.db2.gz NFGJAVJFVINVIH-UHFFFAOYSA-N 2 0 258.366 -0.406 20 0 CBADRP C[C@H]1CN(C(=[NH2+])NCCN2CCC[N@H+](C)CC2)CCO1 ZINC000848994163 583465578 /nfs/dbraw/zinc/46/55/78/583465578.db2.gz ZSWMLCGRAFBEBB-ZDUSSCGKSA-N 2 0 283.420 -0.131 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=[NH2+])N2CCC2)C1 ZINC000848999958 583465796 /nfs/dbraw/zinc/46/57/96/583465796.db2.gz CGQOOUWFURMRIO-NSHDSACASA-N 2 0 267.377 -0.196 20 0 CBADRP C[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000849000111 583465977 /nfs/dbraw/zinc/46/59/77/583465977.db2.gz OUNMJYNIACTPCI-QWHCGFSZSA-N 2 0 283.420 -0.133 20 0 CBADRP COC[C@H](C)NC(=[NH2+])NC[C@H]1C[N@H+](C)CCN1C ZINC000849008023 583467336 /nfs/dbraw/zinc/46/73/36/583467336.db2.gz MACVIOVGMKKKBJ-QWRGUYRKSA-N 2 0 257.382 -0.619 20 0 CBADRP [NH2+]=C(NC[C@H]1CCC[N@H+]1CCCO)N1CCOCC1 ZINC000849034575 583470014 /nfs/dbraw/zinc/47/00/14/583470014.db2.gz YYPIIGCYWFLRRA-GFCCVEGCSA-N 2 0 270.377 -0.310 20 0 CBADRP C[C@@H]1C[NH+]=C(NCC2(N3CCOCC3)CC[NH+](C)CC2)N1 ZINC000849041244 583471169 /nfs/dbraw/zinc/47/11/69/583471169.db2.gz OERBNIJQEZYKCX-CYBMUJFWSA-N 2 0 295.431 -0.280 20 0 CBADRP CCNC(=[NH2+])NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000849041650 583471567 /nfs/dbraw/zinc/47/15/67/583471567.db2.gz URCCVZMSNYLLFL-UHFFFAOYSA-N 2 0 283.420 -0.083 20 0 CBADRP C[NH+]1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000849133380 583472329 /nfs/dbraw/zinc/47/23/29/583472329.db2.gz UIYHOFPBVDUSKC-LBPRGKRZSA-N 2 0 264.377 -0.050 20 0 CBADRP [NH3+]CCCCCCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000851668023 583519350 /nfs/dbraw/zinc/51/93/50/583519350.db2.gz BZAFSNHFNZWZKG-UHFFFAOYSA-N 2 0 296.375 -0.041 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000851684435 583520835 /nfs/dbraw/zinc/52/08/35/583520835.db2.gz BPYLRYDCWDUPTE-QJPTWQEYSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@H](CNC(=O)C(=O)N(C)CCC[NH3+])[NH+]1CCCCC1 ZINC000851687584 583521764 /nfs/dbraw/zinc/52/17/64/583521764.db2.gz VVEYWWSQEGAHOV-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP NC(=O)[C@](O)(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000851731978 583523765 /nfs/dbraw/zinc/52/37/65/583523765.db2.gz FUYCDUVLGOWEDC-JMSVASOKSA-N 2 0 275.352 -0.489 20 0 CBADRP O=C(CC[N@@H+]1CC[C@H](N2CCOC2=O)C1)N1CC[NH2+]CC1 ZINC000852755181 583551925 /nfs/dbraw/zinc/55/19/25/583551925.db2.gz GFOUTZWBXBAZMY-LBPRGKRZSA-N 2 0 296.371 -0.665 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N(C2CC2)C2CC[NH2+]CC2)=NO1 ZINC000852792948 583552692 /nfs/dbraw/zinc/55/26/92/583552692.db2.gz JLRQIHRFKHXYHH-NSHDSACASA-N 2 0 266.345 -0.167 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852798968 583553279 /nfs/dbraw/zinc/55/32/79/583553279.db2.gz PNKMXYXTXUOHEW-LPEHRKFASA-N 2 0 254.334 -0.324 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC000852824860 583556486 /nfs/dbraw/zinc/55/64/86/583556486.db2.gz GVBIUIDDYYQPNQ-MNOVXSKESA-N 2 0 255.362 -0.146 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1[NH2+]CC12CCOCC2 ZINC000852824771 583556499 /nfs/dbraw/zinc/55/64/99/583556499.db2.gz BHVPKGTWDKGHAZ-MNOVXSKESA-N 2 0 253.346 -0.377 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1[NH2+]CC12CCOCC2 ZINC000852824770 583556615 /nfs/dbraw/zinc/55/66/15/583556615.db2.gz BHVPKGTWDKGHAZ-GHMZBOCLSA-N 2 0 253.346 -0.377 20 0 CBADRP CN(C(=O)[C@@H]1[NH2+]CC12CCOCC2)[C@H]1CC[NH2+]C1 ZINC000852825930 583556916 /nfs/dbraw/zinc/55/69/16/583556916.db2.gz WYQBIKMGXJRAGL-QWRGUYRKSA-N 2 0 253.346 -0.425 20 0 CBADRP C[C@H]1CN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)CC[NH2+]1 ZINC000852825082 583556945 /nfs/dbraw/zinc/55/69/45/583556945.db2.gz JLMJQCJGHGGSNS-QWRGUYRKSA-N 2 0 253.346 -0.425 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852853954 583561069 /nfs/dbraw/zinc/56/10/69/583561069.db2.gz AHMOVTNCUPRPOI-NXEZZACHSA-N 2 0 254.334 -0.310 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)NCC[NH+]2CCCCC2)=NO1 ZINC000852857545 583561898 /nfs/dbraw/zinc/56/18/98/583561898.db2.gz WWFPXKHFPCRTSU-SNVBAGLBSA-N 2 0 254.334 -0.308 20 0 CBADRP C[N@@H+]1CCC[C@@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852864140 583563582 /nfs/dbraw/zinc/56/35/82/583563582.db2.gz XHBQVCFUPJGIET-VHSXEESVSA-N 2 0 254.334 -0.452 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852869588 583564763 /nfs/dbraw/zinc/56/47/63/583564763.db2.gz IFSASBHXMPHVLS-JTQLQIEISA-N 2 0 256.350 -0.062 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)=NO1 ZINC000852869775 583564827 /nfs/dbraw/zinc/56/48/27/583564827.db2.gz LMARZHLLXYPCAW-NEPJUHHUSA-N 2 0 296.371 -0.729 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852870542 583564858 /nfs/dbraw/zinc/56/48/58/583564858.db2.gz VQSKBMJETDQGPO-MNOVXSKESA-N 2 0 268.361 -0.110 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852872241 583565026 /nfs/dbraw/zinc/56/50/26/583565026.db2.gz JPNHLMQVCPYKNE-WDEREUQCSA-N 2 0 286.376 -0.437 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852872891 583565594 /nfs/dbraw/zinc/56/55/94/583565594.db2.gz SPCAHNNRFPLOOO-UISBYWKRSA-N 2 0 266.345 -0.311 20 0 CBADRP C[C@@]1(CNC(=O)C2=NO[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000852875622 583565819 /nfs/dbraw/zinc/56/58/19/583565819.db2.gz LPUGNCOYTGCYDU-BXKDBHETSA-N 2 0 254.334 -0.404 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)=NO1 ZINC000852878850 583566381 /nfs/dbraw/zinc/56/63/81/583566381.db2.gz ADFGQLNKKRWRQC-MFKMUULPSA-N 2 0 266.345 -0.308 20 0 CBADRP CC[C@@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)CC[C@@H]1[NH3+] ZINC000852879211 583566385 /nfs/dbraw/zinc/56/63/85/583566385.db2.gz RUAKIDOWIPKAGM-UTLUCORTSA-N 2 0 254.334 -0.324 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)=NO1 ZINC000852878847 583566411 /nfs/dbraw/zinc/56/64/11/583566411.db2.gz ADFGQLNKKRWRQC-GXFFZTMASA-N 2 0 266.345 -0.308 20 0 CBADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)C1(O)C[NH2+]C1 ZINC000852881007 583566840 /nfs/dbraw/zinc/56/68/40/583566840.db2.gz QNCPXLPTIHIXPX-GFCCVEGCSA-N 2 0 261.325 -0.676 20 0 CBADRP [NH3+]CC[C@H]1CCCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852879800 583566879 /nfs/dbraw/zinc/56/68/79/583566879.db2.gz ZMWVDNKHNWMBCY-ZJUUUORDSA-N 2 0 254.334 -0.323 20 0 CBADRP [NH3+]CC[C@H](NC(=O)C1=NO[C@H](C[NH3+])C1)C(F)F ZINC000852882017 583567056 /nfs/dbraw/zinc/56/70/56/583567056.db2.gz VRWMIJACRLZGFD-WDSKDSINSA-N 2 0 250.249 -0.811 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NCCC[C@H]2CCC[NH2+]2)=NO1 ZINC000852882618 583567380 /nfs/dbraw/zinc/56/73/80/583567380.db2.gz MXCXRZGFNZRVPF-ZJUUUORDSA-N 2 0 254.334 -0.262 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)=NO1 ZINC000852882644 583567523 /nfs/dbraw/zinc/56/75/23/583567523.db2.gz NRPIFXJMUYTREE-SRVKXCTJSA-N 2 0 280.372 -0.062 20 0 CBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852884465 583567957 /nfs/dbraw/zinc/56/79/57/583567957.db2.gz ZJCJXMDVFUQHQP-NWDGAFQWSA-N 2 0 298.387 -0.341 20 0 CBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852884464 583568105 /nfs/dbraw/zinc/56/81/05/583568105.db2.gz ZJCJXMDVFUQHQP-NEPJUHHUSA-N 2 0 298.387 -0.341 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852884911 583568466 /nfs/dbraw/zinc/56/84/66/583568466.db2.gz PTJLBMKANLVDQB-SCVCMEIPSA-N 2 0 268.361 -0.111 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)=NO1 ZINC000852892321 583570453 /nfs/dbraw/zinc/57/04/53/583570453.db2.gz DKRFBTXVDOKPEH-ZJUUUORDSA-N 2 0 266.345 -0.119 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852893210 583570708 /nfs/dbraw/zinc/57/07/08/583570708.db2.gz SFRZOLREBBCAEL-MDZLAQPJSA-N 2 0 253.346 -0.295 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852914578 583574160 /nfs/dbraw/zinc/57/41/60/583574160.db2.gz BVSGMPWJFRSGOR-ZJUUUORDSA-N 2 0 254.334 -0.310 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)NCC[C@H](C)[NH3+])C1 ZINC000857102656 583664424 /nfs/dbraw/zinc/66/44/24/583664424.db2.gz JFVQATJRRXTJLI-QWRGUYRKSA-N 2 0 258.366 -0.256 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000857102992 583664686 /nfs/dbraw/zinc/66/46/86/583664686.db2.gz YNPLZIRSGZTWCA-RYUDHWBXSA-N 2 0 271.409 -0.341 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000857102976 583664831 /nfs/dbraw/zinc/66/48/31/583664831.db2.gz XXIYRDNMYSTJOA-WDEREUQCSA-N 2 0 257.382 -0.731 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000857109515 583665186 /nfs/dbraw/zinc/66/51/86/583665186.db2.gz MOZSVORDASHXSF-RYUDHWBXSA-N 2 0 272.393 -0.130 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000857109434 583665262 /nfs/dbraw/zinc/66/52/62/583665262.db2.gz XOZZQMIITCBVQA-NSHDSACASA-N 2 0 272.393 -0.178 20 0 CBADRP Nc1nc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)nc(N)[nH+]1 ZINC000858374636 583693390 /nfs/dbraw/zinc/69/33/90/583693390.db2.gz RFFWTAAPDJWTTI-JGVFFNPUSA-N 2 0 265.321 -0.689 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000861592582 583771902 /nfs/dbraw/zinc/77/19/02/583771902.db2.gz NRUBCQVILHDEJF-STQMWFEESA-N 2 0 285.436 -0.142 20 0 CBADRP COCC1(CNC(=O)N(C)C[C@@H](C)[NH3+])CC[NH2+]CC1 ZINC000861644252 583774930 /nfs/dbraw/zinc/77/49/30/583774930.db2.gz ZWNWDXYDOITUNH-LLVKDONJSA-N 2 0 272.393 -0.009 20 0 CBADRP [NH3+]CCCOCCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000861646608 583775193 /nfs/dbraw/zinc/77/51/93/583775193.db2.gz SMXZBPVYRWUURR-SECBINFHSA-N 2 0 280.319 -0.352 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH+]3CC[C@H](O)C3)C2)C1 ZINC000861712827 583780598 /nfs/dbraw/zinc/78/05/98/583780598.db2.gz URBYTIKIQCAKSB-AVGNSLFASA-N 2 0 267.373 -0.394 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000861729896 583781688 /nfs/dbraw/zinc/78/16/88/583781688.db2.gz DXHXHPCTLMJANK-LLVKDONJSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000861737337 583782414 /nfs/dbraw/zinc/78/24/14/583782414.db2.gz BFJJFCYPZLDXJE-SNVBAGLBSA-N 2 0 289.339 -0.244 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000861744896 583783297 /nfs/dbraw/zinc/78/32/97/583783297.db2.gz PZLSVFSLVVYHTK-QJPTWQEYSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000861752271 583784010 /nfs/dbraw/zinc/78/40/10/583784010.db2.gz DJBAVYSBCBSIOP-SCVCMEIPSA-N 2 0 282.388 -0.609 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000861753201 583784303 /nfs/dbraw/zinc/78/43/03/583784303.db2.gz VEGTXKJRNMVEOT-AXFHLTTASA-N 2 0 282.388 -0.467 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1cccnc1N(C)C ZINC000861756313 583784532 /nfs/dbraw/zinc/78/45/32/583784532.db2.gz XCFMMWQEZOYDGT-SNVBAGLBSA-N 2 0 293.371 -0.431 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000861756646 583784569 /nfs/dbraw/zinc/78/45/69/583784569.db2.gz FMEQHWTYRSFWHZ-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861759651 583784841 /nfs/dbraw/zinc/78/48/41/583784841.db2.gz OANNGAMKWNBDAI-WDEREUQCSA-N 2 0 272.393 -0.362 20 0 CBADRP C[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])[N@H+](C)C1CC1 ZINC000861763221 583785036 /nfs/dbraw/zinc/78/50/36/583785036.db2.gz MGEKIAYFUYGOKH-VHSXEESVSA-N 2 0 270.377 -0.609 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861771965 583785712 /nfs/dbraw/zinc/78/57/12/583785712.db2.gz MBQZQCNGXAKVRZ-LLVKDONJSA-N 2 0 272.393 -0.360 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000861784271 583786298 /nfs/dbraw/zinc/78/62/98/583786298.db2.gz WAIZPJNOLRMBCM-AVGNSLFASA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH2+]CCCN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549566 583846433 /nfs/dbraw/zinc/84/64/33/583846433.db2.gz MNHQQUXATZWKGG-OLZOCXBDSA-N 2 0 282.388 -0.147 20 0 CBADRP C[N@H+](CCOCC[NH3+])[C@@H]1CCN(C2CCOCC2)C1=O ZINC000863555404 583846732 /nfs/dbraw/zinc/84/67/32/583846732.db2.gz RMNDFVBPDOVZDS-CYBMUJFWSA-N 2 0 285.388 -0.327 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000863751361 583852503 /nfs/dbraw/zinc/85/25/03/583852503.db2.gz HJZWHZUSYAGMMM-NWDGAFQWSA-N 2 0 284.404 -0.265 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000863753833 583852799 /nfs/dbraw/zinc/85/27/99/583852799.db2.gz JJVVJFRMWPLXRK-NEPJUHHUSA-N 2 0 298.431 -0.019 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000863755420 583853218 /nfs/dbraw/zinc/85/32/18/583853218.db2.gz PFRGSBBOJLHOLP-STQMWFEESA-N 2 0 296.415 -0.121 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+])[C@H](C)C1 ZINC000863761443 583854330 /nfs/dbraw/zinc/85/43/30/583854330.db2.gz HFVMCIQAJKPHGY-UPJWGTAASA-N 2 0 298.431 -0.019 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000863763317 583854457 /nfs/dbraw/zinc/85/44/57/583854457.db2.gz YJCDGFCFAIMZNW-YNEHKIRRSA-N 2 0 296.415 -0.265 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000863763855 583854710 /nfs/dbraw/zinc/85/47/10/583854710.db2.gz KSAINMVXEQAKLO-NEPJUHHUSA-N 2 0 284.404 -0.408 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000863769048 583855417 /nfs/dbraw/zinc/85/54/17/583855417.db2.gz BGFDTAKIPZLYMI-NWDGAFQWSA-N 2 0 284.404 -0.219 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000863769047 583855520 /nfs/dbraw/zinc/85/55/20/583855520.db2.gz BGFDTAKIPZLYMI-NEPJUHHUSA-N 2 0 284.404 -0.219 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000863769081 583855555 /nfs/dbraw/zinc/85/55/55/583855555.db2.gz JBVMOYFVDVWIQH-RYUDHWBXSA-N 2 0 284.404 -0.267 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000863769477 583855748 /nfs/dbraw/zinc/85/57/48/583855748.db2.gz YNBCSALLJWLYPM-GFCCVEGCSA-N 2 0 284.404 -0.264 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000863769478 583855758 /nfs/dbraw/zinc/85/57/58/583855758.db2.gz YNBCSALLJWLYPM-LBPRGKRZSA-N 2 0 284.404 -0.264 20 0 CBADRP Cn1c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c[nH]c1=O ZINC000865178160 583899537 /nfs/dbraw/zinc/89/95/37/583899537.db2.gz RQFNNUPEPBNLCC-UHFFFAOYSA-N 2 0 283.376 -0.309 20 0 CBADRP Cn1nnnc1CC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000866665915 583926477 /nfs/dbraw/zinc/92/64/77/583926477.db2.gz KTMQVUQGYYAPKX-YPMHNXCESA-N 2 0 280.376 -0.419 20 0 CBADRP Cn1nnnc1CC[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000866665984 583926630 /nfs/dbraw/zinc/92/66/30/583926630.db2.gz JVSKXQYCCWTVCW-JSGCOSHPSA-N 2 0 294.403 -0.029 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(CCC(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000866703169 583927880 /nfs/dbraw/zinc/92/78/80/583927880.db2.gz GEXAFMAKZSYIAG-UONOGXRCSA-N 2 0 280.416 -0.166 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000866709616 583928017 /nfs/dbraw/zinc/92/80/17/583928017.db2.gz SRQCRXPFLNUWJM-FVCCEPFGSA-N 2 0 280.372 -0.537 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000866708743 583928032 /nfs/dbraw/zinc/92/80/32/583928032.db2.gz OIRKTIDWMJFSFS-MELADBBJSA-N 3 0 294.399 -0.147 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000866709153 583928088 /nfs/dbraw/zinc/92/80/88/583928088.db2.gz QNOATRIRAPONGB-YIYPIFLZSA-N 2 0 294.399 -0.147 20 0 CBADRP CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000866739593 583930002 /nfs/dbraw/zinc/93/00/02/583930002.db2.gz GSFFNUFNTVZKAR-VXGBXAGGSA-N 2 0 293.433 -0.342 20 0 CBADRP CN(C1CCC([NH3+])CC1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000866742761 583930238 /nfs/dbraw/zinc/93/02/38/583930238.db2.gz SLWHJADPYXJBFC-MCIGGMRASA-N 2 0 291.417 -0.494 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000866772472 583931993 /nfs/dbraw/zinc/93/19/93/583931993.db2.gz UEZQCSCKJINEHY-NWDGAFQWSA-N 2 0 289.401 -0.868 20 0 CBADRP C[C@@H]([NH3+])CN(C)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000866782013 583932703 /nfs/dbraw/zinc/93/27/03/583932703.db2.gz ZNFRYIBGRZBTPQ-GFCCVEGCSA-N 2 0 292.449 -0.767 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867323964 583948290 /nfs/dbraw/zinc/94/82/90/583948290.db2.gz OGDNFVNUUVCVSI-OLZOCXBDSA-N 2 0 296.415 -0.441 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867323965 583948387 /nfs/dbraw/zinc/94/83/87/583948387.db2.gz OGDNFVNUUVCVSI-QWHCGFSZSA-N 2 0 296.415 -0.441 20 0 CBADRP CCN1CCN(C(=O)[C@@H](O)c2cnc[nH]2)[C@@H](C)C1 ZINC000868269544 583973884 /nfs/dbraw/zinc/97/38/84/583973884.db2.gz GPUGRHOXPNTSFE-ONGXEEELSA-N 2 0 252.318 -0.004 20 0 CBADRP CCN1CCN(C(=O)[C@H](O)c2cnc[nH]2)[C@H](C)C1 ZINC000868269543 583973969 /nfs/dbraw/zinc/97/39/69/583973969.db2.gz GPUGRHOXPNTSFE-MWLCHTKSSA-N 2 0 252.318 -0.004 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868385511 583976480 /nfs/dbraw/zinc/97/64/80/583976480.db2.gz SZXDDSJLMHUIMT-AGIUHOORSA-N 2 0 294.399 -0.641 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC[C@H]21 ZINC000868387148 583976660 /nfs/dbraw/zinc/97/66/60/583976660.db2.gz PXWCOQAAFOBMBG-QJPTWQEYSA-N 2 0 280.372 -0.901 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC[NH2+]1 ZINC000868389202 583976868 /nfs/dbraw/zinc/97/68/68/583976868.db2.gz NZZQZHDQEQXGFM-AVGNSLFASA-N 2 0 294.399 -0.641 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868390622 583977060 /nfs/dbraw/zinc/97/70/60/583977060.db2.gz NWIBLFYAZFOZNM-NWDGAFQWSA-N 2 0 282.388 -0.783 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868392139 583977234 /nfs/dbraw/zinc/97/72/34/583977234.db2.gz SVXMOUKJFKPMJQ-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868402746 583977493 /nfs/dbraw/zinc/97/74/93/583977493.db2.gz SHUKQJNQCPMCSW-MROQNXINSA-N 2 0 294.399 -0.513 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868402748 583977495 /nfs/dbraw/zinc/97/74/95/583977495.db2.gz SHUKQJNQCPMCSW-VOAKCMCISA-N 2 0 294.399 -0.513 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CCC1(C)C ZINC000868407607 583978146 /nfs/dbraw/zinc/97/81/46/583978146.db2.gz YRUVPIHFSYRASN-GFCCVEGCSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000868407584 583978260 /nfs/dbraw/zinc/97/82/60/583978260.db2.gz YCLQGJHTLFKBIP-LLVKDONJSA-N 2 0 284.404 -0.265 20 0 CBADRP C[NH+](C)CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021396 584007391 /nfs/dbraw/zinc/00/73/91/584007391.db2.gz DJOFMRXAYXRMFP-CHWSQXEVSA-N 3 0 270.421 -0.254 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1C[NH+](C)C ZINC000870023930 584007419 /nfs/dbraw/zinc/00/74/19/584007419.db2.gz ONAWWDMLNDLEBE-MCIONIFRSA-N 2 0 299.415 -0.400 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)CC[NH2+]CC2CC2)CCO1 ZINC000870938284 584022001 /nfs/dbraw/zinc/02/20/01/584022001.db2.gz KBQHMPCELSQBCV-PWSUYJOCSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)CCC23CC(C2)C[NH2+]3)CCO1 ZINC000870940412 584022464 /nfs/dbraw/zinc/02/24/64/584022464.db2.gz IUYXJNPJSAPHIC-AKJDGMEZSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000870972007 584023561 /nfs/dbraw/zinc/02/35/61/584023561.db2.gz NKFJVAOWIHFESZ-GUBZILKMSA-N 2 0 263.345 -0.046 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974493 584023565 /nfs/dbraw/zinc/02/35/65/584023565.db2.gz MHCNCDYSWREZIO-USZNOCQGSA-N 2 0 255.362 -0.003 20 0 CBADRP C[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000870986082 584024439 /nfs/dbraw/zinc/02/44/39/584024439.db2.gz DWHFBDFEWSDMMA-JQWIXIFHSA-N 2 0 255.362 -0.131 20 0 CBADRP COCCN(C)C(=[NH2+])NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000871603958 584043421 /nfs/dbraw/zinc/04/34/21/584043421.db2.gz NYGPRAREGWMONK-VXGBXAGGSA-N 2 0 270.377 -0.048 20 0 CBADRP Cn1nnnc1C1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000872146122 584047835 /nfs/dbraw/zinc/04/78/35/584047835.db2.gz GGVMSWYYKSYQOQ-LLVKDONJSA-N 2 0 266.349 -0.622 20 0 CBADRP COC(=O)CCN1CC[C@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1=O ZINC000872154687 584048529 /nfs/dbraw/zinc/04/85/29/584048529.db2.gz WGTPWEGXYQOVAL-SLEUVZQESA-N 2 0 295.383 -0.308 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872200987 584049870 /nfs/dbraw/zinc/04/98/70/584049870.db2.gz QIQFLCJFSGMOEC-STQMWFEESA-N 2 0 273.421 -0.266 20 0 CBADRP C[C@H](C[NH2+]C[C@@H](O)CC(C)(C)O)CN1CC[NH+](C)CC1 ZINC000872201802 584049993 /nfs/dbraw/zinc/04/99/93/584049993.db2.gz IXGUWWXRROLDGA-KGLIPLIRSA-N 2 0 287.448 -0.019 20 0 CBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000872276718 584053094 /nfs/dbraw/zinc/05/30/94/584053094.db2.gz QREOKTJQOGDWCX-UWVGGRQHSA-N 2 0 268.361 -0.016 20 0 CBADRP CC1(C)CC[NH2+]CCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000872290347 584054470 /nfs/dbraw/zinc/05/44/70/584054470.db2.gz MNXNWZWUSRGEKB-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872289737 584054476 /nfs/dbraw/zinc/05/44/76/584054476.db2.gz BJGQPUNBIZVLGS-DEKYYXRVSA-N 2 0 281.356 -0.523 20 0 CBADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000872299488 584054824 /nfs/dbraw/zinc/05/48/24/584054824.db2.gz LGNQOVKNMWJCRC-SDDRHHMPSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000872305836 584055025 /nfs/dbraw/zinc/05/50/25/584055025.db2.gz NZVWMGSYBJPVNC-ROHXPCBUSA-N 2 0 294.355 -0.883 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872302627 584055072 /nfs/dbraw/zinc/05/50/72/584055072.db2.gz GFJAMLVFXDGJBC-KKOKHZNYSA-N 2 0 296.371 -0.622 20 0 CBADRP C[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)CC[NH2+]1 ZINC000873219234 584068817 /nfs/dbraw/zinc/06/88/17/584068817.db2.gz FLQZWWNPTHDPDI-FIQHERPVSA-N 2 0 265.357 -0.079 20 0 CBADRP COC[C@H](CCC[NH3+])[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000873248551 584069191 /nfs/dbraw/zinc/06/91/91/584069191.db2.gz GJRBQHVUDZYRAJ-AAEUAGOBSA-N 2 0 287.360 -0.449 20 0 CBADRP O=C1COC[C@]2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)COCCN12 ZINC000873264627 584069487 /nfs/dbraw/zinc/06/94/87/584069487.db2.gz DAEUSSPKXIBYCP-YOOVYSLHSA-N 2 0 295.383 -0.513 20 0 CBADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000873264671 584069591 /nfs/dbraw/zinc/06/95/91/584069591.db2.gz DGIBIKLDAKBCOP-JSGCOSHPSA-N 2 0 285.388 -0.279 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@]23COCCN2C(=O)COC3)C1 ZINC000873266323 584069592 /nfs/dbraw/zinc/06/95/92/584069592.db2.gz MOPMHXURJONETF-BZPMIXESSA-N 2 0 283.372 -0.526 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000873267534 584069817 /nfs/dbraw/zinc/06/98/17/584069817.db2.gz ZQFLRXYOWGPLDI-OUCADQQQSA-N 2 0 283.372 -0.669 20 0 CBADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000873267229 584069892 /nfs/dbraw/zinc/06/98/92/584069892.db2.gz YFOYUUDTDYKGSE-UMVBOHGHSA-N 2 0 297.399 -0.408 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000873267535 584069902 /nfs/dbraw/zinc/06/99/02/584069902.db2.gz ZQFLRXYOWGPLDI-SCRDCRAPSA-N 2 0 283.372 -0.669 20 0 CBADRP C[C@H](C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+](C)C ZINC000874253198 584079247 /nfs/dbraw/zinc/07/92/47/584079247.db2.gz KEBYRPAEYRPZQV-WOPDTQHZSA-N 2 0 255.362 -0.084 20 0 CBADRP C[C@H](C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+](C)C ZINC000874253197 584079313 /nfs/dbraw/zinc/07/93/13/584079313.db2.gz KEBYRPAEYRPZQV-UTUOFQBUSA-N 2 0 255.362 -0.084 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000876503043 584129760 /nfs/dbraw/zinc/12/97/60/584129760.db2.gz XJEOTEDEXHXHBU-NWDGAFQWSA-N 2 0 268.405 -0.229 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000876503045 584129788 /nfs/dbraw/zinc/12/97/88/584129788.db2.gz XJEOTEDEXHXHBU-VXGBXAGGSA-N 2 0 268.405 -0.229 20 0 CBADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876506375 584129988 /nfs/dbraw/zinc/12/99/88/584129988.db2.gz IQQKMGUOVGTRIE-RYUDHWBXSA-N 2 0 280.372 -0.300 20 0 CBADRP CC[NH2+]CCCNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000876509201 584130191 /nfs/dbraw/zinc/13/01/91/584130191.db2.gz CDRJEGKWJLMHBF-LBPRGKRZSA-N 2 0 259.350 -0.893 20 0 CBADRP O=C(/C=C\[C@H]1CCC[NH2+]C1)NCCN1CC[NH2+]CC1 ZINC000876510593 584130278 /nfs/dbraw/zinc/13/02/78/584130278.db2.gz OLESWTXNLQHUAR-DHCBQETCSA-N 2 0 266.389 -0.436 20 0 CBADRP COC[C@]1(C(=O)N2CCC[C@@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000876515055 584130669 /nfs/dbraw/zinc/13/06/69/584130669.db2.gz WQYPITUBEZOLGU-AAEUAGOBSA-N 2 0 271.361 -0.811 20 0 CBADRP [NH3+]CCOc1cccc(NC(=O)CN2CC[NH2+]CC2)c1 ZINC000876523594 584131028 /nfs/dbraw/zinc/13/10/28/584131028.db2.gz BKXYBOYAVNJUPQ-UHFFFAOYSA-N 2 0 278.356 -0.132 20 0 CBADRP COC[C@@]1(C(=O)N(C)CC[C@H]([NH3+])C(C)C)C[NH2+]CCO1 ZINC000876542097 584132369 /nfs/dbraw/zinc/13/23/69/584132369.db2.gz OOENBQVYGSSHRJ-GXTWGEPZSA-N 2 0 287.404 -0.177 20 0 CBADRP CN1CCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000876542064 584132493 /nfs/dbraw/zinc/13/24/93/584132493.db2.gz LAMZSFPQDWFQBU-GARJFASQSA-N 2 0 258.341 -0.965 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000876543117 584132659 /nfs/dbraw/zinc/13/26/59/584132659.db2.gz FYNGUKGTHSUQNK-WCQYABFASA-N 2 0 273.377 -0.375 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000876543115 584132679 /nfs/dbraw/zinc/13/26/79/584132679.db2.gz FYNGUKGTHSUQNK-AAEUAGOBSA-N 2 0 273.377 -0.375 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000876544504 584133097 /nfs/dbraw/zinc/13/30/97/584133097.db2.gz VIMPJLZSECGISD-QTQDVXROSA-N 2 0 267.373 -0.027 20 0 CBADRP COC[C@]1(C(=O)NCC[N@@H+]2CCCC[C@H]2C)C[NH2+]CCO1 ZINC000876722630 584140613 /nfs/dbraw/zinc/14/06/13/584140613.db2.gz AJLXYBULVMRABT-HIFRSBDPSA-N 2 0 299.415 -0.018 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NCCCC[NH+]1CCOCC1 ZINC000876725587 584141046 /nfs/dbraw/zinc/14/10/46/584141046.db2.gz UCQVTCJBUUATHG-LBPRGKRZSA-N 2 0 272.393 -0.896 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H](C)C[NH+]2CCCC2)C[NH2+]CCO1 ZINC000876729237 584141426 /nfs/dbraw/zinc/14/14/26/584141426.db2.gz IDFXLGVCBAOHTN-DZGCQCFKSA-N 2 0 299.415 -0.161 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000876742445 584141594 /nfs/dbraw/zinc/14/15/94/584141594.db2.gz UMFLQSPVQALBPQ-STQMWFEESA-N 2 0 268.405 -0.038 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876745068 584141951 /nfs/dbraw/zinc/14/19/51/584141951.db2.gz YPZOFERSIFZYSP-FDYHWXHSSA-N 2 0 285.363 -0.087 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876744939 584142178 /nfs/dbraw/zinc/14/21/78/584142178.db2.gz HTTKOUSIDYXMKW-QWRGUYRKSA-N 2 0 261.341 -0.372 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C[NH3+])cnn1C ZINC000876751444 584142286 /nfs/dbraw/zinc/14/22/86/584142286.db2.gz QCUREZFVNSKSKX-LBPRGKRZSA-N 2 0 295.387 -0.281 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000876756830 584142906 /nfs/dbraw/zinc/14/29/06/584142906.db2.gz ZNNCDBSTBABCSN-UTLUCORTSA-N 2 0 277.315 -0.337 20 0 CBADRP C[C@H]1C[C@H](N(C)C(=O)[C@@H](N)C[NH+](C)C)CC[N@@H+]1C ZINC000876772699 584143507 /nfs/dbraw/zinc/14/35/07/584143507.db2.gz RAOXUJABDSDGCN-TUAOUCFPSA-N 2 0 256.394 -0.184 20 0 CBADRP COC[C@@]1(C(=O)NCC[N@@H+]2CC[C@H](C)C2)C[NH2+]CCO1 ZINC000876772775 584143940 /nfs/dbraw/zinc/14/39/40/584143940.db2.gz HOAQJSAMKMTLQA-GXTWGEPZSA-N 2 0 285.388 -0.551 20 0 CBADRP COC[C@]1(C(=O)NCC[N@@H+]2CC[C@H](C)C2)C[NH2+]CCO1 ZINC000876772776 584143958 /nfs/dbraw/zinc/14/39/58/584143958.db2.gz HOAQJSAMKMTLQA-JSGCOSHPSA-N 2 0 285.388 -0.551 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876782252 584144155 /nfs/dbraw/zinc/14/41/55/584144155.db2.gz VBBXGIZDWIGVAQ-STQMWFEESA-N 2 0 286.395 -0.312 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000876780145 584144233 /nfs/dbraw/zinc/14/42/33/584144233.db2.gz DRSTXXLHVLMMAD-ZOWXZIJZSA-N 2 0 297.399 -0.267 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876784190 584144570 /nfs/dbraw/zinc/14/45/70/584144570.db2.gz ZYAGSJRNYBVXFQ-GUTXKFCHSA-N 2 0 280.416 -0.119 20 0 CBADRP COCC[NH2+]CCNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876792770 584144868 /nfs/dbraw/zinc/14/48/68/584144868.db2.gz YYJDCAKHMSVJDZ-RXNFCKPNSA-N 2 0 255.362 -0.106 20 0 CBADRP COC[C@]1(C(=O)N2CCC3(C2)CC[NH2+]CC3)C[NH2+]CCO1 ZINC000876793903 584145214 /nfs/dbraw/zinc/14/52/14/584145214.db2.gz YIEPGYVRKDVAEW-HNNXBMFYSA-N 2 0 297.399 -0.407 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C[NH2+]CCO1 ZINC000876805507 584146912 /nfs/dbraw/zinc/14/69/12/584146912.db2.gz CPIHYIYJAIASKP-KGLIPLIRSA-N 2 0 283.372 -0.797 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CCC[NH2+]CC2)C[NH2+]CCO1 ZINC000876826308 584147687 /nfs/dbraw/zinc/14/76/87/584147687.db2.gz OMKJTVUJTQSGTD-YPMHNXCESA-N 2 0 271.361 -0.750 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C[NH2+]CCO1 ZINC000876831310 584148067 /nfs/dbraw/zinc/14/80/67/584148067.db2.gz XFXDBMALVXLRFS-MDZLAQPJSA-N 2 0 271.361 -0.894 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@]2(COC)C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000876834853 584148219 /nfs/dbraw/zinc/14/82/19/584148219.db2.gz WCONRSSHLJPKIS-YRGRVCCFSA-N 2 0 285.388 -0.423 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C[NH2+]CCO1 ZINC000876840597 584148436 /nfs/dbraw/zinc/14/84/36/584148436.db2.gz CTLBCUWSPVKTDM-CABCVRRESA-N 2 0 297.399 -0.407 20 0 CBADRP COC[C@]1(C(=O)N2CCC[C@H](CC[NH3+])C2)C[NH2+]CCO1 ZINC000876838465 584148464 /nfs/dbraw/zinc/14/84/64/584148464.db2.gz QYZZDIHCQLDRLK-OCCSQVGLSA-N 2 0 285.388 -0.421 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000876841031 584148478 /nfs/dbraw/zinc/14/84/78/584148478.db2.gz IWPTZOZZJTTWMQ-AAEUAGOBSA-N 2 0 254.378 -0.523 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876848605 584149442 /nfs/dbraw/zinc/14/94/42/584149442.db2.gz LKGKSJSPVSHSOL-OUAUKWLOSA-N 2 0 283.372 -0.277 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000876847920 584149467 /nfs/dbraw/zinc/14/94/67/584149467.db2.gz OIODUIIORBKQPO-GAKKIBMMSA-N 2 0 292.427 -0.096 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876848603 584149489 /nfs/dbraw/zinc/14/94/89/584149489.db2.gz LKGKSJSPVSHSOL-DCAQKATOSA-N 2 0 283.372 -0.277 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876849838 584149615 /nfs/dbraw/zinc/14/96/15/584149615.db2.gz ZWTCAQQOTRVHMG-GRYCIOLGSA-N 2 0 283.372 -0.133 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000876852251 584149643 /nfs/dbraw/zinc/14/96/43/584149643.db2.gz BKAXNPMEUIHIBL-YNEHKIRRSA-N 2 0 280.416 -0.134 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000876852249 584149699 /nfs/dbraw/zinc/14/96/99/584149699.db2.gz BKAXNPMEUIHIBL-JHJVBQTASA-N 2 0 280.416 -0.134 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C[NH2+]CCO1 ZINC000876852331 584150035 /nfs/dbraw/zinc/15/00/35/584150035.db2.gz VTUGPUCAQOMGCW-YDHLFZDLSA-N 2 0 299.415 -0.127 20 0 CBADRP COC[C@]1(C(=O)N[C@@H](C)CCCC[NH3+])C[NH2+]CCO1 ZINC000876855236 584150132 /nfs/dbraw/zinc/15/01/32/584150132.db2.gz PJIQUXDMWFSHQB-AAEUAGOBSA-N 2 0 273.377 -0.375 20 0 CBADRP COC[C@]1(C(=O)N2CCC3(CC[NH2+]C3)CC2)C[NH2+]CCO1 ZINC000876859902 584150537 /nfs/dbraw/zinc/15/05/37/584150537.db2.gz OAUSUJZSJIQEHZ-HNNXBMFYSA-N 2 0 297.399 -0.407 20 0 CBADRP [NH3+]C[C@@]1(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CCCOC1 ZINC000876866342 584151001 /nfs/dbraw/zinc/15/10/01/584151001.db2.gz RSXTWMDKYYVDAU-KOLCDFICSA-N 2 0 277.315 -0.145 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000876870097 584151515 /nfs/dbraw/zinc/15/15/15/584151515.db2.gz JXFWZSKDFZHNBA-VYWDXUPNSA-N 2 0 267.373 -0.107 20 0 CBADRP COC[C@@]1(C(=O)N2CCC[C@H]([NH+](C)C)CC2)C[NH2+]CCO1 ZINC000876885088 584153019 /nfs/dbraw/zinc/15/30/19/584153019.db2.gz USLNLHKZWGSVNX-DZGCQCFKSA-N 2 0 299.415 -0.066 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000876884675 584153146 /nfs/dbraw/zinc/15/31/46/584153146.db2.gz RONNFFCTRZKIAH-GRYCIOLGSA-N 2 0 256.394 -0.326 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000876913878 584154955 /nfs/dbraw/zinc/15/49/55/584154955.db2.gz VKVCJSGOZRIUTK-FRRDWIJNSA-N 2 0 268.405 -0.134 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000876924992 584156030 /nfs/dbraw/zinc/15/60/30/584156030.db2.gz YWGZLJAANWJPOA-ZDUSSCGKSA-N 2 0 252.362 -0.754 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000876934843 584156796 /nfs/dbraw/zinc/15/67/96/584156796.db2.gz JZGUZSURJFHWAN-QWRGUYRKSA-N 2 0 254.378 -0.334 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000876954558 584158079 /nfs/dbraw/zinc/15/80/79/584158079.db2.gz LESLDERPMYSEOA-KGLIPLIRSA-N 2 0 298.431 -0.411 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876972907 584159100 /nfs/dbraw/zinc/15/91/00/584159100.db2.gz SBPPDZIUCRVLPK-YNEHKIRRSA-N 2 0 284.379 -0.560 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000876973198 584159141 /nfs/dbraw/zinc/15/91/41/584159141.db2.gz XQZFMDGPIWKJSQ-YNEHKIRRSA-N 2 0 280.416 -0.134 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000876973195 584159166 /nfs/dbraw/zinc/15/91/66/584159166.db2.gz XQZFMDGPIWKJSQ-FRRDWIJNSA-N 2 0 280.416 -0.134 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876972905 584159224 /nfs/dbraw/zinc/15/92/24/584159224.db2.gz SBPPDZIUCRVLPK-UPJWGTAASA-N 2 0 284.379 -0.560 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)c1c(C[NH3+])cnn1C ZINC000876977608 584159356 /nfs/dbraw/zinc/15/93/56/584159356.db2.gz ZLHYJFGBWYMAHA-SNVBAGLBSA-N 2 0 253.350 -0.018 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000876985242 584159797 /nfs/dbraw/zinc/15/97/97/584159797.db2.gz ORQPZSYTHBWDKH-GXFFZTMASA-N 2 0 263.345 -0.168 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000876985244 584159920 /nfs/dbraw/zinc/15/99/20/584159920.db2.gz ORQPZSYTHBWDKH-ZWNOBZJWSA-N 2 0 263.345 -0.168 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000876997630 584160462 /nfs/dbraw/zinc/16/04/62/584160462.db2.gz CEWBVAIZAUCIBK-ONGXEEELSA-N 2 0 254.334 -0.454 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000877010020 584161722 /nfs/dbraw/zinc/16/17/22/584161722.db2.gz ILUCFGOAGUFYOL-MELADBBJSA-N 2 0 276.384 -0.253 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000877028167 584162444 /nfs/dbraw/zinc/16/24/44/584162444.db2.gz ZPFLBAUHPSCZDM-GFCCVEGCSA-N 2 0 273.377 -0.551 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000877037718 584163162 /nfs/dbraw/zinc/16/31/62/584163162.db2.gz ACANUZXKEBNIFB-QIOFFNHISA-N 2 0 253.346 -0.497 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000877102909 584166013 /nfs/dbraw/zinc/16/60/13/584166013.db2.gz ONMXADAKSUJCFE-LLVKDONJSA-N 2 0 265.361 -0.233 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000877103717 584166086 /nfs/dbraw/zinc/16/60/86/584166086.db2.gz YOWDIRHIKKPWGI-UWVGGRQHSA-N 2 0 256.350 -0.950 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000877102757 584166087 /nfs/dbraw/zinc/16/60/87/584166087.db2.gz DBQZZBCVRVLNPY-GHMZBOCLSA-N 2 0 270.377 -0.798 20 0 CBADRP COCCN(CC1CC[NH+](C)CC1)C(=O)COCC[NH3+] ZINC000877132567 584167771 /nfs/dbraw/zinc/16/77/71/584167771.db2.gz HMZRWOHMNAQBSH-UHFFFAOYSA-N 2 0 287.404 -0.222 20 0 CBADRP CC1(C)CC[C@H](CNC(=O)CN2CC[NH2+]CC2)[NH2+]C1 ZINC000877150884 584168205 /nfs/dbraw/zinc/16/82/05/584168205.db2.gz DVXLLPPXMJSLJS-GFCCVEGCSA-N 2 0 268.405 -0.214 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)C[C@H]1COCC[NH2+]1 ZINC000877188146 584169938 /nfs/dbraw/zinc/16/99/38/584169938.db2.gz QRHJRDSVHJNVRV-ZBOXLXRLSA-N 2 0 253.346 -0.153 20 0 CBADRP C[NH2+][C@@H](C)C(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000877206666 584170588 /nfs/dbraw/zinc/17/05/88/584170588.db2.gz LEFGDDWHDTWNGJ-JTQLQIEISA-N 2 0 288.355 -0.050 20 0 CBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877245734 584172011 /nfs/dbraw/zinc/17/20/11/584172011.db2.gz JFVYRYDBZONWIB-FPYNETTCSA-N 2 0 267.373 -0.003 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])CC[C@@H]21 ZINC000877248547 584172259 /nfs/dbraw/zinc/17/22/59/584172259.db2.gz BHPAYROCGXPTTN-NDBYEHHHSA-N 2 0 267.373 -0.097 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])CC[C@H]21 ZINC000877248546 584172297 /nfs/dbraw/zinc/17/22/97/584172297.db2.gz BHPAYROCGXPTTN-LPWJVIDDSA-N 2 0 267.373 -0.097 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877250625 584172643 /nfs/dbraw/zinc/17/26/43/584172643.db2.gz QYSOXRZCVICPAW-BZPMIXESSA-N 2 0 296.415 -0.362 20 0 CBADRP COCCC1(NC(=O)CN2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000877268371 584174118 /nfs/dbraw/zinc/17/41/18/584174118.db2.gz CEZUCZQYUIIXMU-UHFFFAOYSA-N 2 0 284.404 -0.834 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877289922 584176062 /nfs/dbraw/zinc/17/60/62/584176062.db2.gz WUKDKJIPCBVWHV-WOPDTQHZSA-N 2 0 253.346 -0.282 20 0 CBADRP CC1([NH+]2CCCCC2)CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000877300837 584177745 /nfs/dbraw/zinc/17/77/45/584177745.db2.gz MKZNXZBCDSYXDZ-UHFFFAOYSA-N 2 0 296.415 -0.072 20 0 CBADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877330839 584178799 /nfs/dbraw/zinc/17/87/99/584178799.db2.gz HUPMCABPLUKZKR-NDBYEHHHSA-N 2 0 279.384 -0.273 20 0 CBADRP C[C@H](C[NH3+])C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877331655 584178859 /nfs/dbraw/zinc/17/88/59/584178859.db2.gz PKFYCMXGQURNDY-GHMZBOCLSA-N 2 0 255.362 -0.144 20 0 CBADRP CC[NH2+]CC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877336534 584179078 /nfs/dbraw/zinc/17/90/78/584179078.db2.gz KIAFJHCYRMMFNM-LLVKDONJSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@]1(F)CC[NH2+]C1 ZINC000877335663 584179169 /nfs/dbraw/zinc/17/91/69/584179169.db2.gz DDPRPHBOGSAEBJ-SMDDNHRTSA-N 2 0 285.363 -0.037 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877361219 584179542 /nfs/dbraw/zinc/17/95/42/584179542.db2.gz RQZNODTYIAAQIE-HRDYMLBCSA-N 2 0 283.294 -0.054 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000877372182 584179801 /nfs/dbraw/zinc/17/98/01/584179801.db2.gz WUCOJOKCNQAWPY-CDGCEXEKSA-N 2 0 267.373 -0.179 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1CCO[C@H]1C[NH3+])C2 ZINC000877372844 584179944 /nfs/dbraw/zinc/17/99/44/584179944.db2.gz QFEFLPULXILGAP-SRRSOLGSSA-N 2 0 253.346 -0.582 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1COC3)C2 ZINC000877373007 584179987 /nfs/dbraw/zinc/17/99/87/584179987.db2.gz SOYFUKVMWSCPHH-VTPLQMEGSA-N 2 0 265.357 -0.710 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877374046 584180022 /nfs/dbraw/zinc/18/00/22/584180022.db2.gz VUIUAUZFTPBULF-VHRBIJSZSA-N 2 0 282.388 -0.846 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877391070 584180615 /nfs/dbraw/zinc/18/06/15/584180615.db2.gz MJIRICIOTQVQOP-SCDSUCTJSA-N 2 0 282.388 -0.513 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000877451532 584182201 /nfs/dbraw/zinc/18/22/01/584182201.db2.gz QJRXJUWDGZOOSH-OBJOEFQTSA-N 2 0 296.415 -0.219 20 0 CBADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000877450820 584182329 /nfs/dbraw/zinc/18/23/29/584182329.db2.gz GDUALWWLFOFSFZ-ABHRYQDASA-N 2 0 279.384 -0.083 20 0 CBADRP C[NH+]1CCC(NC(=O)CN2CCC[N@H+](C)CC2)CC1 ZINC000877936376 584188288 /nfs/dbraw/zinc/18/82/88/584188288.db2.gz YENYHOQULNODSF-UHFFFAOYSA-N 2 0 268.405 -0.166 20 0 CBADRP CN(CC[N@H+](C)CCn1cnnn1)C1CC[NH+](C)CC1 ZINC000878311581 584199144 /nfs/dbraw/zinc/19/91/44/584199144.db2.gz QIMAKLCAEBJQTM-UHFFFAOYSA-N 2 0 281.408 -0.369 20 0 CBADRP COCCC[N@H+](CCO)CC(=O)NC1CC[NH+](C)CC1 ZINC000878479873 584204985 /nfs/dbraw/zinc/20/49/85/584204985.db2.gz KLHSZPLLLWZBOM-UHFFFAOYSA-N 2 0 287.404 -0.472 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)[C@H]1CO ZINC000878485174 584205398 /nfs/dbraw/zinc/20/53/98/584205398.db2.gz IZXFHYORZZHHMZ-AAEUAGOBSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)CC1 ZINC000878543557 584207677 /nfs/dbraw/zinc/20/76/77/584207677.db2.gz GALTXAPYOYIFKD-AWEZNQCLSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[N@H+](CCOCCO)CC(=O)NC1CC[NH+](C)CC1 ZINC000878557549 584208569 /nfs/dbraw/zinc/20/85/69/584208569.db2.gz JGGXNYATDIKQFI-UHFFFAOYSA-N 2 0 287.404 -0.472 20 0 CBADRP C[C@@H]1COCCN1C1CC[NH+](CCn2cnnn2)CC1 ZINC000878635787 584211152 /nfs/dbraw/zinc/21/11/52/584211152.db2.gz PYUSONKQWQTPMX-GFCCVEGCSA-N 2 0 280.376 -0.142 20 0 CBADRP C[C@H](CCO)[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878812259 584218057 /nfs/dbraw/zinc/21/80/57/584218057.db2.gz OGRNAXNJKYHTNX-LLVKDONJSA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000879055366 584225722 /nfs/dbraw/zinc/22/57/22/584225722.db2.gz HEEGZIJAIUOBBK-KLPPZKSPSA-N 2 0 282.388 -0.608 20 0 CBADRP COCC[N@H+](CCS(N)(=O)=O)CC1CC[NH+](C)CC1 ZINC000879124728 584227121 /nfs/dbraw/zinc/22/71/21/584227121.db2.gz AQIDQTYUJMLJCG-UHFFFAOYSA-N 2 0 293.433 -0.435 20 0 CBADRP C[C@@H]1C[C@@H](NCC[NH+](C)CCOCCO)CC[N@@H+]1C ZINC000883349570 584340149 /nfs/dbraw/zinc/34/01/49/584340149.db2.gz GCUYZOORXKLSRS-KGLIPLIRSA-N 2 0 273.421 -0.001 20 0 CBADRP C[C@H]1C[C@@H](NCC[NH+](C)CCOCCO)CC[N@@H+]1C ZINC000883349569 584340198 /nfs/dbraw/zinc/34/01/98/584340198.db2.gz GCUYZOORXKLSRS-KBPBESRZSA-N 2 0 273.421 -0.001 20 0 CBADRP c1nnnn1CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000883428133 584341801 /nfs/dbraw/zinc/34/18/01/584341801.db2.gz MNEXXLKEMSBPRH-GFCCVEGCSA-N 2 0 250.350 -0.005 20 0 CBADRP F[C@@H]1C[NH2+][C@H](CN2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000883429871 584341973 /nfs/dbraw/zinc/34/19/73/584341973.db2.gz HBRSCGLWGSEFIE-AVGNSLFASA-N 2 0 256.369 -0.334 20 0 CBADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCn3cnnn3)CC2)C1 ZINC000883432887 584342219 /nfs/dbraw/zinc/34/22/19/584342219.db2.gz CNPSLWDQKWROOZ-QWHCGFSZSA-N 2 0 280.376 -0.109 20 0 CBADRP CC(C)C[C@@H](C(N)=O)[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000883461860 584343320 /nfs/dbraw/zinc/34/33/20/584343320.db2.gz FHKQJFSPMWOGHO-LBPRGKRZSA-N 2 0 284.404 -0.360 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000884005601 584355406 /nfs/dbraw/zinc/35/54/06/584355406.db2.gz NQEPPAKRPWJDOB-LBPRGKRZSA-N 2 0 268.405 -0.357 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000884020098 584355956 /nfs/dbraw/zinc/35/59/56/584355956.db2.gz NHYXCPREXGJWAB-RYUDHWBXSA-N 2 0 296.415 -0.455 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884027328 584356456 /nfs/dbraw/zinc/35/64/56/584356456.db2.gz ZAKAMHMEXMTRBT-LBPRGKRZSA-N 2 0 268.405 -0.404 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000884211868 584367570 /nfs/dbraw/zinc/36/75/70/584367570.db2.gz PZWPYDODYBGTLJ-XQQFMLRXSA-N 2 0 285.388 -0.592 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000884220494 584368593 /nfs/dbraw/zinc/36/85/93/584368593.db2.gz UUQAPXAYZDOXTI-CQSZACIVSA-N 2 0 299.415 -0.079 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[NH2+]CC1(C)C)N1CC[NH+](C)CC1 ZINC000884234953 584368853 /nfs/dbraw/zinc/36/88/53/584368853.db2.gz IVCZNRPKTRULKK-QWHCGFSZSA-N 2 0 282.432 -0.016 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000884236094 584369165 /nfs/dbraw/zinc/36/91/65/584369165.db2.gz MJCVZEWXDGSMRX-OLZOCXBDSA-N 2 0 284.404 -0.802 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000884235774 584369193 /nfs/dbraw/zinc/36/91/93/584369193.db2.gz DXIWQTYVOICJCX-OLZOCXBDSA-N 2 0 270.421 -0.018 20 0 CBADRP C[C@H](CNC(=O)[C@H]([NH3+])CC1CC1)N1CC[NH+](C)CC1 ZINC000884235548 584369269 /nfs/dbraw/zinc/36/92/69/584369269.db2.gz YFCPOMMTWHWMQB-DGCLKSJQSA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884238123 584369449 /nfs/dbraw/zinc/36/94/49/584369449.db2.gz UMNMNAKGQHSPMZ-NSHDSACASA-N 2 0 277.372 -0.184 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000884301813 584372772 /nfs/dbraw/zinc/37/27/72/584372772.db2.gz CYKKJHPFWXRLMY-QWRGUYRKSA-N 2 0 255.362 -0.273 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000884308835 584373472 /nfs/dbraw/zinc/37/34/72/584373472.db2.gz FBOLKDDCEBPSBW-STQMWFEESA-N 2 0 287.404 -0.081 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000884336372 584375093 /nfs/dbraw/zinc/37/50/93/584375093.db2.gz OQJCLVCRANGJHO-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000884342342 584375481 /nfs/dbraw/zinc/37/54/81/584375481.db2.gz YUECHJYPMQZXIR-MNOVXSKESA-N 2 0 255.362 -0.192 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000884348355 584375778 /nfs/dbraw/zinc/37/57/78/584375778.db2.gz WRNGMLYIWLQTBG-AXFHLTTASA-N 2 0 255.362 -0.003 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000884358558 584376159 /nfs/dbraw/zinc/37/61/59/584376159.db2.gz SFUXEHFXLGJBIY-NWDGAFQWSA-N 2 0 268.405 -0.134 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000884358559 584376208 /nfs/dbraw/zinc/37/62/08/584376208.db2.gz SFUXEHFXLGJBIY-RYUDHWBXSA-N 2 0 268.405 -0.134 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)CC[NH2+]C1 ZINC000884360521 584376504 /nfs/dbraw/zinc/37/65/04/584376504.db2.gz BHOFNAHUQJSDOG-CWSCBRNRSA-N 2 0 255.362 -0.146 20 0 CBADRP CC1(C)[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C[C@@H]1[NH3+] ZINC000884361123 584376516 /nfs/dbraw/zinc/37/65/16/584376516.db2.gz MMNDXLONULCOMX-XHSYRHOGSA-N 2 0 253.346 -0.536 20 0 CBADRP CC1(C)[C@H](NC(=O)COC2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000884360770 584376534 /nfs/dbraw/zinc/37/65/34/584376534.db2.gz GHWNVMDTRWTRAR-WDEREUQCSA-N 2 0 255.362 -0.003 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)C[NH2+]CCO1 ZINC000884365492 584377079 /nfs/dbraw/zinc/37/70/79/584377079.db2.gz KALRBTGEEYGPPM-CWSCBRNRSA-N 2 0 271.361 -0.767 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)C[NH2+]CCO1 ZINC000884365494 584377086 /nfs/dbraw/zinc/37/70/86/584377086.db2.gz KALRBTGEEYGPPM-NRUUGDAUSA-N 2 0 271.361 -0.767 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]([NH3+])CCOC)C[C@H]1C[NH3+] ZINC000884385965 584377843 /nfs/dbraw/zinc/37/78/43/584377843.db2.gz ALYKPGLKJGAJMY-OUAUKWLOSA-N 2 0 259.350 -0.828 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000884420551 584380755 /nfs/dbraw/zinc/38/07/55/584380755.db2.gz WODZHIUGXDDIPH-RYUDHWBXSA-N 2 0 273.377 -0.471 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000884491123 584384742 /nfs/dbraw/zinc/38/47/42/584384742.db2.gz OAQVQAZRJZXJQB-FRRDWIJNSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000884528937 584386504 /nfs/dbraw/zinc/38/65/04/584386504.db2.gz BBPLSGMZUBMJQS-GHMZBOCLSA-N 2 0 282.388 -0.465 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCC1 ZINC000884529047 584386664 /nfs/dbraw/zinc/38/66/64/584386664.db2.gz DYWNZMQFAZKIRQ-QWRGUYRKSA-N 2 0 280.372 -0.840 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000884553559 584387853 /nfs/dbraw/zinc/38/78/53/584387853.db2.gz BAOAOWSRPHJQIT-NOOOWODRSA-N 2 0 294.399 -0.324 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884601225 584389634 /nfs/dbraw/zinc/38/96/34/584389634.db2.gz FFLZMKVKVLGXRZ-WOPDTQHZSA-N 2 0 282.388 -0.594 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884617654 584391233 /nfs/dbraw/zinc/39/12/33/584391233.db2.gz PRBLHQWRLBHBAB-YNEHKIRRSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884617652 584391248 /nfs/dbraw/zinc/39/12/48/584391248.db2.gz PRBLHQWRLBHBAB-JHJVBQTASA-N 2 0 296.415 -0.075 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884626196 584391610 /nfs/dbraw/zinc/39/16/10/584391610.db2.gz DFZVXOCAHGITHX-RVMXOQNASA-N 2 0 292.383 -0.698 20 0 CBADRP C[C@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1=CC[N@H+](C)CC1 ZINC000884624096 584391706 /nfs/dbraw/zinc/39/17/06/584391706.db2.gz YAPWVFVOLBUPJI-DRZSPHRISA-N 2 0 292.383 -0.674 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000884627599 584392008 /nfs/dbraw/zinc/39/20/08/584392008.db2.gz VQTAUMLGGQSTDF-UTUOFQBUSA-N 2 0 294.399 -0.465 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884650412 584392507 /nfs/dbraw/zinc/39/25/07/584392507.db2.gz ISZAEPCMMNASAA-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884650413 584392531 /nfs/dbraw/zinc/39/25/31/584392531.db2.gz ISZAEPCMMNASAA-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000884650840 584392677 /nfs/dbraw/zinc/39/26/77/584392677.db2.gz XKLHJOVYVDXVIE-UHFFFAOYSA-N 2 0 272.393 -0.312 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884665336 584393525 /nfs/dbraw/zinc/39/35/25/584393525.db2.gz PIKNZLYASCSGQT-QJPTWQEYSA-N 2 0 284.404 -0.219 20 0 CBADRP CC(C)([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000884669695 584393631 /nfs/dbraw/zinc/39/36/31/584393631.db2.gz DFHUGBXOAHSSKL-VXGBXAGGSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C[NH+]1CCCC1 ZINC000884669322 584393774 /nfs/dbraw/zinc/39/37/74/584393774.db2.gz SJFHFWQBOQTTSO-AGIUHOORSA-N 2 0 294.399 -0.593 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC3CC[NH2+]CC3)CC[C@H]21 ZINC000884675676 584394707 /nfs/dbraw/zinc/39/47/07/584394707.db2.gz LOVULRMAFXZLAZ-DGCLKSJQSA-N 2 0 294.399 -0.593 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CCC1(C)C ZINC000884679150 584395537 /nfs/dbraw/zinc/39/55/37/584395537.db2.gz XTHXPBIXZYHRBB-GFCCVEGCSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000884684822 584395934 /nfs/dbraw/zinc/39/59/34/584395934.db2.gz PXJFTLGBNUHQHT-SNVBAGLBSA-N 2 0 270.377 -0.608 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC[NH2+]C3CC3)CC[C@@H]21 ZINC000884690369 584397282 /nfs/dbraw/zinc/39/72/82/584397282.db2.gz WPOVVEOPJNTIPS-YPMHNXCESA-N 2 0 294.399 -0.593 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CCC1(C)C ZINC000884690027 584397294 /nfs/dbraw/zinc/39/72/94/584397294.db2.gz IAVOQBHODMTURF-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000884692918 584397970 /nfs/dbraw/zinc/39/79/70/584397970.db2.gz DVIVFGOHBMBFNF-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000884704399 584398848 /nfs/dbraw/zinc/39/88/48/584398848.db2.gz FSRVHYDYVGTADY-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000884705448 584399600 /nfs/dbraw/zinc/39/96/00/584399600.db2.gz UZCMNRBZBWMBNT-IFQILLTASA-N 2 0 284.404 -0.171 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CCC1(C)C ZINC000884708200 584399824 /nfs/dbraw/zinc/39/98/24/584399824.db2.gz QLHJVLXOSZKKRK-UHFFFAOYSA-N 2 0 284.404 -0.217 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC3([NH3+])CCC3)CC[C@@H]21 ZINC000884715582 584400122 /nfs/dbraw/zinc/40/01/22/584400122.db2.gz YGGZGHZPBYGAFQ-NEPJUHHUSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@H](C(N)=O)[NH+](C)[C@H]1CC[C@H]([N@@H+](C)[C@H](C)C(N)=O)CC1 ZINC000886389506 584438691 /nfs/dbraw/zinc/43/86/91/584438691.db2.gz LZDSWGDDYHTXSK-DDHJBXDOSA-N 2 0 284.404 -0.091 20 0 CBADRP CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)CCC[NH+](C)C ZINC000886893330 584451210 /nfs/dbraw/zinc/45/12/10/584451210.db2.gz POLSDBJXYYHXDT-LLVKDONJSA-N 2 0 263.407 -0.048 20 0 CBADRP CCN(C(=O)C(=O)N(C)CC[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000887066319 584460942 /nfs/dbraw/zinc/46/09/42/584460942.db2.gz JLHPTPGWXGRITM-LLVKDONJSA-N 2 0 270.377 -0.783 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=[NH2+])NCC(F)F)C1 ZINC000887352679 584466691 /nfs/dbraw/zinc/46/66/91/584466691.db2.gz KALGNTSDSHWQDT-SECBINFHSA-N 2 0 291.346 -0.047 20 0 CBADRP [NH3+][C@@H]1CCCN(Cc2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000887423287 584467550 /nfs/dbraw/zinc/46/75/50/584467550.db2.gz QNTKTSPRPWRJQS-NEPJUHHUSA-N 2 0 264.377 -0.047 20 0 CBADRP CN1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC[N@H+](C)CC1 ZINC000888983761 584511348 /nfs/dbraw/zinc/51/13/48/584511348.db2.gz OVIUUOAATPAGAY-ZDUSSCGKSA-N 2 0 268.405 -0.356 20 0 CBADRP C[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)[NH+](C)C ZINC000889744161 584534866 /nfs/dbraw/zinc/53/48/66/584534866.db2.gz KPDBETSABZAPMX-UPJWGTAASA-N 2 0 269.389 -0.006 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891493560 584582625 /nfs/dbraw/zinc/58/26/25/584582625.db2.gz UZKXSLWCLYYTGP-QWRGUYRKSA-N 2 0 256.350 -0.680 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000891513950 584583484 /nfs/dbraw/zinc/58/34/84/584583484.db2.gz KHPDEANIMLUKMJ-YVECIDJPSA-N 2 0 282.388 -0.114 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891514440 584583515 /nfs/dbraw/zinc/58/35/15/584583515.db2.gz RPIGAMCKRASOHN-RFQIPJPRSA-N 2 0 294.399 -0.005 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891514661 584583601 /nfs/dbraw/zinc/58/36/01/584583601.db2.gz WHBHULFDAZLOSX-QNWHQSFQSA-N 2 0 280.372 -0.395 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000891529623 584584412 /nfs/dbraw/zinc/58/44/12/584584412.db2.gz XBQLCAIVZOTBFN-CHWSQXEVSA-N 2 0 283.420 -0.245 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000891540842 584584681 /nfs/dbraw/zinc/58/46/81/584584681.db2.gz YVPCAZHJVWERKL-IJLUTSLNSA-N 2 0 269.393 -0.637 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891539444 584584809 /nfs/dbraw/zinc/58/48/09/584584809.db2.gz ARPQQDPCBZYARR-NFAWXSAZSA-N 2 0 295.431 -0.184 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000891540844 584584898 /nfs/dbraw/zinc/58/48/98/584584898.db2.gz YVPCAZHJVWERKL-WOPDTQHZSA-N 2 0 269.393 -0.637 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000891540820 584584947 /nfs/dbraw/zinc/58/49/47/584584947.db2.gz YGHYMONSHMQNOW-JVWICGRDSA-N 2 0 295.431 -0.103 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000891576692 584586885 /nfs/dbraw/zinc/58/68/85/584586885.db2.gz NETSMVRWRAWWMU-SRVKXCTJSA-N 2 0 268.361 -0.537 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000891919843 584594379 /nfs/dbraw/zinc/59/43/79/584594379.db2.gz URNQFKZMTIMKNV-VXGBXAGGSA-N 2 0 270.377 -0.160 20 0 CBADRP CN(C)c1cc(N2CCCN(CC(N)=O)CC2)ncn1 ZINC000891935097 584594581 /nfs/dbraw/zinc/59/45/81/584594581.db2.gz NXLUARYLKXYIDV-UHFFFAOYSA-N 2 0 278.360 -0.460 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCN1CC[NH2+]CC1 ZINC000891972287 584596264 /nfs/dbraw/zinc/59/62/64/584596264.db2.gz CIFSGLBTZFXLKQ-GHMZBOCLSA-N 2 0 255.366 -0.977 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891973205 584596622 /nfs/dbraw/zinc/59/66/22/584596622.db2.gz QIMQENQKQZQQES-CHWSQXEVSA-N 2 0 281.404 -0.573 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N[C@@H]1CC[NH2+]C1 ZINC000892008722 584598819 /nfs/dbraw/zinc/59/88/19/584598819.db2.gz WDPPZKAJWMOSGK-DTWKUNHWSA-N 2 0 262.304 -0.108 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000892056818 584602252 /nfs/dbraw/zinc/60/22/52/584602252.db2.gz VISYZHQPGXUGCU-QWRGUYRKSA-N 2 0 272.393 -0.132 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000892055952 584602344 /nfs/dbraw/zinc/60/23/44/584602344.db2.gz NWTGASLNRGOYIK-UHFFFAOYSA-N 2 0 272.393 -0.042 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000892097847 584604511 /nfs/dbraw/zinc/60/45/11/584604511.db2.gz SHCLFZWVIUNEOS-ZJUUUORDSA-N 2 0 258.366 -0.522 20 0 CBADRP [NH3+]C/C=C/CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892122403 584605531 /nfs/dbraw/zinc/60/55/31/584605531.db2.gz OILMFUGMTSFRRB-YYRQZUAOSA-N 2 0 282.388 -0.041 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000892140979 584605805 /nfs/dbraw/zinc/60/58/05/584605805.db2.gz GIEOHUNKTKKGPZ-MXWKQRLJSA-N 2 0 272.393 -0.134 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000892147088 584605992 /nfs/dbraw/zinc/60/59/92/584605992.db2.gz RVIAHPJCCHOYCK-QWRGUYRKSA-N 2 0 272.393 -0.132 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892157153 584606304 /nfs/dbraw/zinc/60/63/04/584606304.db2.gz PJYNUYIDBLBXLU-XHNCKOQMSA-N 2 0 260.288 -0.261 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000892168971 584607169 /nfs/dbraw/zinc/60/71/69/584607169.db2.gz KZRRLEFFGSSUSL-RWMBFGLXSA-N 2 0 282.388 -0.099 20 0 CBADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H]1C[NH2+]CCO1 ZINC000892183852 584608083 /nfs/dbraw/zinc/60/80/83/584608083.db2.gz LRKLMJVQWPKVQS-YVECIDJPSA-N 2 0 282.388 -0.195 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000892183874 584608427 /nfs/dbraw/zinc/60/84/27/584608427.db2.gz MDBCLWUDWNDDRB-GVXVVHGQSA-N 2 0 268.361 -0.441 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000892189983 584608786 /nfs/dbraw/zinc/60/87/86/584608786.db2.gz QTFZSKCOIOBYKB-VWYCJHECSA-N 2 0 256.350 -0.456 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000892282014 584612056 /nfs/dbraw/zinc/61/20/56/584612056.db2.gz VXGZWKPOLJOZDF-WCQYABFASA-N 2 0 270.377 -0.194 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000892283560 584612575 /nfs/dbraw/zinc/61/25/75/584612575.db2.gz RVXXWXIGGVPHJC-NEPJUHHUSA-N 2 0 270.377 -0.242 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC[C@@H]1COCC[NH2+]1)C2 ZINC000892289452 584613219 /nfs/dbraw/zinc/61/32/19/584613219.db2.gz MAWSETLWYIWYAV-DMDPSCGWSA-N 2 0 268.361 -0.774 20 0 CBADRP CCC1([NH3+])CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000892291607 584613598 /nfs/dbraw/zinc/61/35/98/584613598.db2.gz XOFCZILHZMCMKJ-LLVKDONJSA-N 2 0 270.377 -0.112 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000892307239 584614403 /nfs/dbraw/zinc/61/44/03/584614403.db2.gz WEYOERHHGWRNBG-SDDRHHMPSA-N 2 0 284.404 -0.119 20 0 CBADRP CC1(C)CC[C@H](CNC(=O)N(CC[NH3+])CCO)[NH2+]C1 ZINC000892383391 584615958 /nfs/dbraw/zinc/61/59/58/584615958.db2.gz DKUPLDABUKTZJE-LLVKDONJSA-N 2 0 272.393 -0.273 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000892549137 584618360 /nfs/dbraw/zinc/61/83/60/584618360.db2.gz ORMKYWFOCRPRLE-FRRDWIJNSA-N 2 0 281.404 -0.587 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892556322 584618589 /nfs/dbraw/zinc/61/85/89/584618589.db2.gz XXNJRLMOWBHMGC-PHIMTYICSA-N 2 0 258.366 -0.663 20 0 CBADRP CN1CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000892568547 584619298 /nfs/dbraw/zinc/61/92/98/584619298.db2.gz WHMOZHWTAJZKDB-DCAQKATOSA-N 3 0 255.366 -0.992 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892755748 584625111 /nfs/dbraw/zinc/62/51/11/584625111.db2.gz KGYSIJXDAWXRTL-NEPJUHHUSA-N 2 0 282.388 -0.112 20 0 CBADRP CCC1([NH3+])CCN(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000892934843 584630035 /nfs/dbraw/zinc/63/00/35/584630035.db2.gz KZIKTDPDUGTSJJ-GFCCVEGCSA-N 2 0 284.404 -0.034 20 0 CBADRP CCC1([NH3+])CCN(C(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000892926829 584630040 /nfs/dbraw/zinc/63/00/40/584630040.db2.gz YJHSENGMXUTEFT-CQSZACIVSA-N 2 0 284.404 -0.034 20 0 CBADRP C[NH+]1CCC(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC000893407041 584640565 /nfs/dbraw/zinc/64/05/65/584640565.db2.gz DPIWFERDWIAISZ-NSHDSACASA-N 2 0 266.345 -0.436 20 0 CBADRP C[NH+]1CCC(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)CC1 ZINC000893407040 584640601 /nfs/dbraw/zinc/64/06/01/584640601.db2.gz DPIWFERDWIAISZ-LLVKDONJSA-N 2 0 266.345 -0.436 20 0 CBADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)CC1 ZINC000894801225 584664653 /nfs/dbraw/zinc/66/46/53/584664653.db2.gz WVTTWILBMSEJPY-STQMWFEESA-N 2 0 267.373 -0.083 20 0 CBADRP CC(C)(O)C[NH+]1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC000895814940 584687466 /nfs/dbraw/zinc/68/74/66/584687466.db2.gz UWQVJLMXLGIWSO-UHFFFAOYSA-N 2 0 284.404 -0.164 20 0 CBADRP C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)[C@H]1C[N@H+](C)CCN1C ZINC000896531563 584701169 /nfs/dbraw/zinc/70/11/69/584701169.db2.gz PSWNUTWWUHKTGA-IJLUTSLNSA-N 2 0 256.394 -0.313 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000897441581 584716564 /nfs/dbraw/zinc/71/65/64/584716564.db2.gz HCQZPWPZSOUAHF-JSGCOSHPSA-N 2 0 286.420 -0.060 20 0 CBADRP Cc1nnc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[nH]1 ZINC000898364435 584735734 /nfs/dbraw/zinc/73/57/34/584735734.db2.gz LPQWAPWJTIDVDP-UHFFFAOYSA-N 2 0 297.407 -0.252 20 0 CBADRP C[NH+](C)CCCNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000899919785 584784994 /nfs/dbraw/zinc/78/49/94/584784994.db2.gz FVQTZCYBVWMERC-CYBMUJFWSA-N 2 0 257.378 -0.099 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC1CC[NH+](C)CC1 ZINC000900001334 584788199 /nfs/dbraw/zinc/78/81/99/584788199.db2.gz CTHPGEHLANVDEC-WCQYABFASA-N 2 0 255.362 -0.348 20 0 CBADRP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000900305189 584799200 /nfs/dbraw/zinc/79/92/00/584799200.db2.gz GWDSJDCSQBXWQE-MDZLAQPJSA-N 2 0 255.362 -0.491 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900306603 584799299 /nfs/dbraw/zinc/79/92/99/584799299.db2.gz UOZKKLWRSPRTHE-BZPMIXESSA-N 2 0 269.389 -0.101 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CC1 ZINC000900374128 584801317 /nfs/dbraw/zinc/80/13/17/584801317.db2.gz MNMYIEAKTPCJDA-HIFRSBDPSA-N 2 0 299.415 -0.378 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900625635 584817126 /nfs/dbraw/zinc/81/71/26/584817126.db2.gz XTKAKGIOZODCKZ-ZFWWWQNUSA-N 2 0 299.415 -0.330 20 0 CBADRP CN(C(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C)[C@H]1CCC[N@H+](C)C1 ZINC000900833383 584829613 /nfs/dbraw/zinc/82/96/13/584829613.db2.gz WBVMLGAYHORAJX-OUCADQQQSA-N 2 0 269.389 -0.006 20 0 CBADRP C[NH+](C)CCn1nccc1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000901185635 584853933 /nfs/dbraw/zinc/85/39/33/584853933.db2.gz FIOIEUDACQPXHM-CQSZACIVSA-N 2 0 297.403 -0.513 20 0 CBADRP C[NH+](C)CCOCCNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000901342091 584861896 /nfs/dbraw/zinc/86/18/96/584861896.db2.gz YURVPNLAIZTDFI-AAEUAGOBSA-N 2 0 273.377 -0.864 20 0 CBADRP Cn1nnnc1CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000902455649 584877052 /nfs/dbraw/zinc/87/70/52/584877052.db2.gz LUBNENUZFVUNBQ-CXWACVEQSA-N 2 0 262.361 -0.271 20 0 CBADRP Cn1nnnc1CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000902455648 584877136 /nfs/dbraw/zinc/87/71/36/584877136.db2.gz LUBNENUZFVUNBQ-BSFRTMCYSA-N 2 0 262.361 -0.271 20 0 CBADRP O[C@H](C[NH2+][C@H]1CCO[C@]12CCOC2)C[NH+]1CCCC1 ZINC000903075643 584889072 /nfs/dbraw/zinc/88/90/72/584889072.db2.gz AVTAYEHUZKKSEC-RDBSUJKOSA-N 2 0 270.373 -0.019 20 0 CBADRP C[C@H]([NH2+]C[C@@]1(CO)COCCN1C)C1CC[NH+](C)CC1 ZINC000903283018 584889918 /nfs/dbraw/zinc/88/99/18/584889918.db2.gz VZOANXCJHJPACN-DZGCQCFKSA-N 2 0 285.432 -0.001 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000903421415 584890148 /nfs/dbraw/zinc/89/01/48/584890148.db2.gz OKTNAKRWFSSHKF-ILXRZTDVSA-N 2 0 294.443 -0.014 20 0 CBADRP CC[NH+]1CCC([NH2+]C[C@]2(CO)COCCN2C)CC1 ZINC000903285088 584890156 /nfs/dbraw/zinc/89/01/56/584890156.db2.gz GGSIQNBGPJXGJW-AWEZNQCLSA-N 2 0 271.405 -0.247 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903423197 584890247 /nfs/dbraw/zinc/89/02/47/584890247.db2.gz PUKWPNVHGQWTFA-VXGBXAGGSA-N 2 0 254.378 -0.475 20 0 CBADRP CON1CC[C@@H]([NH+]2CCC(OCCC[NH3+])CC2)C1=O ZINC000903424856 584890277 /nfs/dbraw/zinc/89/02/77/584890277.db2.gz JGLPBGWPSSYCOJ-GFCCVEGCSA-N 2 0 271.361 -0.022 20 0 CBADRP CON1CC[C@H]([NH+]2CCC(OCCC[NH3+])CC2)C1=O ZINC000903424857 584890281 /nfs/dbraw/zinc/89/02/81/584890281.db2.gz JGLPBGWPSSYCOJ-LBPRGKRZSA-N 2 0 271.361 -0.022 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000903449627 584890436 /nfs/dbraw/zinc/89/04/36/584890436.db2.gz WJJDHRXAFYWOIY-HZSPNIEDSA-N 2 0 280.416 -0.262 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH2+][C@H](C(=O)N(C)C)C1 ZINC000903456699 584890636 /nfs/dbraw/zinc/89/06/36/584890636.db2.gz JGMOYZXALJTDRU-WOPDTQHZSA-N 2 0 254.378 -0.796 20 0 CBADRP O=C(CCN[C@@H]1CC[NH2+]C12CCC2)N1CC[NH2+]CC1 ZINC000903470933 584891006 /nfs/dbraw/zinc/89/10/06/584891006.db2.gz PXJJAFORPVUQRF-GFCCVEGCSA-N 2 0 266.389 -0.318 20 0 CBADRP O=C(CN[C@H]1CC[NH2+]C12CCC2)N1CC[NH2+]CC1 ZINC000903466488 584891018 /nfs/dbraw/zinc/89/10/18/584891018.db2.gz UIYJXQHBXNNSOC-NSHDSACASA-N 2 0 252.362 -0.708 20 0 CBADRP Cc1nc([C@@H]2CC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)no1 ZINC000903490728 584891586 /nfs/dbraw/zinc/89/15/86/584891586.db2.gz FUWNJGSLDAFXPI-GFCCVEGCSA-N 2 0 293.371 -0.011 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)NC1CC1)C2 ZINC000903490643 584891727 /nfs/dbraw/zinc/89/17/27/584891727.db2.gz BNLIHNFTMJBZTM-RBZYPMLTSA-N 2 0 281.356 -0.523 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H]1CCOC1=O)C2 ZINC000903492309 584891730 /nfs/dbraw/zinc/89/17/30/584891730.db2.gz AQGNJJDIJYHZKO-WJZNIJOASA-N 2 0 268.313 -0.486 20 0 CBADRP CC(C)[C@@](C)(C[NH3+])NS(=O)(=O)N1CC[NH2+]CC1 ZINC000903492501 584891741 /nfs/dbraw/zinc/89/17/41/584891741.db2.gz GOKDDFJWFGWFAQ-SNVBAGLBSA-N 2 0 264.395 -0.901 20 0 CBADRP O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000903562906 584893348 /nfs/dbraw/zinc/89/33/48/584893348.db2.gz LDKSGNQLYPFVBJ-VPOLOUISSA-N 2 0 259.375 -0.449 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000903561755 584893366 /nfs/dbraw/zinc/89/33/66/584893366.db2.gz XPZNHLBJFYGYOS-QJPTWQEYSA-N 2 0 273.402 -0.202 20 0 CBADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)[C@H]1CCC[NH2+]C1)C2 ZINC000903576482 584893849 /nfs/dbraw/zinc/89/38/49/584893849.db2.gz LMKLYYPHOWTMKH-BJDJZHNGSA-N 2 0 273.402 -0.120 20 0 CBADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCC[C@@]12CC[NH2+]C2 ZINC000903591597 584894181 /nfs/dbraw/zinc/89/41/81/584894181.db2.gz GPLNFGDGANJMKU-NEPJUHHUSA-N 2 0 273.402 -0.104 20 0 CBADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H]1CS(N)(=O)=O ZINC000903706964 584895233 /nfs/dbraw/zinc/89/52/33/584895233.db2.gz JBOXZDOQYOVRJL-PWSUYJOCSA-N 2 0 275.418 -0.158 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903737745 584896544 /nfs/dbraw/zinc/89/65/44/584896544.db2.gz DREXGSYUGRLKKM-ZDUSSCGKSA-N 2 0 296.415 -0.264 20 0 CBADRP [NH3+]CCN(CCO)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903744321 584896856 /nfs/dbraw/zinc/89/68/56/584896856.db2.gz RBIAORRTKPKURN-GFCCVEGCSA-N 2 0 257.378 -0.602 20 0 CBADRP Cn1ccnc1[C@H]1C[NH2+]CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000903747009 584896983 /nfs/dbraw/zinc/89/69/83/584896983.db2.gz NKPOKMPNHAHQJV-UONOGXRCSA-N 2 0 293.415 -0.177 20 0 CBADRP [NH3+]C[C@@H]1CN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCCO1 ZINC000903760031 584897848 /nfs/dbraw/zinc/89/78/48/584897848.db2.gz FGCDHMMMKQDGSY-BFHYXJOUSA-N 2 0 269.389 -0.195 20 0 CBADRP O[C@@H]1C[C@H]2CN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC[N@@H+]2C1 ZINC000903769146 584898003 /nfs/dbraw/zinc/89/80/03/584898003.db2.gz YRCDLDJUKWCDCM-XGUBFFRZSA-N 2 0 281.400 -0.494 20 0 CBADRP C[C@]1(C(N)=O)CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903765480 584898043 /nfs/dbraw/zinc/89/80/43/584898043.db2.gz IFPDIXXKTQIPCX-UBHSHLNASA-N 2 0 267.373 -0.048 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903770830 584898322 /nfs/dbraw/zinc/89/83/22/584898322.db2.gz ZDFLBTPQJDSCNK-KBPBESRZSA-N 3 0 271.405 -0.077 20 0 CBADRP C[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)CC[C@@H]1C[NH3+] ZINC000903788162 584899709 /nfs/dbraw/zinc/89/97/09/584899709.db2.gz CZCPNLGTPUJFST-VXGBXAGGSA-N 2 0 275.418 -0.061 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903786442 584899731 /nfs/dbraw/zinc/89/97/31/584899731.db2.gz IYWTVHADTMYGMJ-DZGCQCFKSA-N 2 0 283.416 -0.069 20 0 CBADRP C[C@H]1C[N@H+](CCN2CCCS2(=O)=O)CC[C@@H]1C[NH3+] ZINC000903788160 584899750 /nfs/dbraw/zinc/89/97/50/584899750.db2.gz CZCPNLGTPUJFST-NWDGAFQWSA-N 2 0 275.418 -0.061 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903786443 584899775 /nfs/dbraw/zinc/89/97/75/584899775.db2.gz IYWTVHADTMYGMJ-HIFRSBDPSA-N 2 0 283.416 -0.069 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C1(C[NH3+])CCOCC1 ZINC000903808257 584900263 /nfs/dbraw/zinc/90/02/63/584900263.db2.gz FHKQWLMQBVPWAH-UHFFFAOYSA-N 2 0 256.394 -0.669 20 0 CBADRP CN(C[C@H]1CC2(C[NH2+]C2)CO1)C1(C[NH3+])CCOCC1 ZINC000903809765 584900593 /nfs/dbraw/zinc/90/05/93/584900593.db2.gz KXTNJYADVRRNDT-GFCCVEGCSA-N 2 0 269.389 -0.195 20 0 CBADRP NC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000903827259 584901005 /nfs/dbraw/zinc/90/10/05/584901005.db2.gz RBAKEQDRKFDPCO-HUBLWGQQSA-N 2 0 279.384 -0.048 20 0 CBADRP CC[N@H+](CCC(=O)NC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903825972 584901029 /nfs/dbraw/zinc/90/10/29/584901029.db2.gz GRFPKJGILASJNS-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@](Cn1cccn1)([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C(N)=O ZINC000903829413 584901226 /nfs/dbraw/zinc/90/12/26/584901226.db2.gz GGXDIRBOPYWSLT-MDZLAQPJSA-N 2 0 265.361 -0.156 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@]12CC[NH2+]C2 ZINC000903870612 584902723 /nfs/dbraw/zinc/90/27/23/584902723.db2.gz ODBLBPIQHSUAIZ-ZIAGYGMSSA-N 2 0 271.405 -0.247 20 0 CBADRP c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCC[NH2+]CC1 ZINC000903872695 584902917 /nfs/dbraw/zinc/90/29/17/584902917.db2.gz AEAWZUFCYDGYJS-LBPRGKRZSA-N 2 0 264.377 -0.002 20 0 CBADRP Cc1c(C[C@H](C[NH3+])CN2CCO[C@@H]([C@H](C)[NH3+])C2)cnn1C ZINC000903873517 584902919 /nfs/dbraw/zinc/90/29/19/584902919.db2.gz JBEVKAVXVWNXFX-NJZAAPMLSA-N 2 0 295.431 -0.106 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000903881002 584903691 /nfs/dbraw/zinc/90/36/91/584903691.db2.gz AEIPMKKMBNYXTP-QWHCGFSZSA-N 2 0 257.378 -0.637 20 0 CBADRP CC[C@@H]1C(=O)NCCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903883740 584903765 /nfs/dbraw/zinc/90/37/65/584903765.db2.gz YYWBRDKKNQGORC-NWDGAFQWSA-N 2 0 267.373 -0.035 20 0 CBADRP COCC[N@H+](CCO)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903890507 584904087 /nfs/dbraw/zinc/90/40/87/584904087.db2.gz DCEDEDORIFHGLM-CYBMUJFWSA-N 2 0 284.404 -0.213 20 0 CBADRP c1nnn([C@H]2CCC[NH2+]C2)c1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000903917922 584904498 /nfs/dbraw/zinc/90/44/98/584904498.db2.gz OTKKVWKLFCZIQV-DYEKYZERSA-N 2 0 276.388 -0.004 20 0 CBADRP C[NH2+]CCCNCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903918038 584904531 /nfs/dbraw/zinc/90/45/31/584904531.db2.gz QRTMVFWOLDKRHV-LLVKDONJSA-N 2 0 252.366 -0.098 20 0 CBADRP CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)C1C[NH2+]C1 ZINC000903917792 584904547 /nfs/dbraw/zinc/90/45/47/584904547.db2.gz NQWNQBPZZQOAST-JTQLQIEISA-N 2 0 250.350 -0.394 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C[C@H]([NH3+])CC(F)F ZINC000903915892 584904585 /nfs/dbraw/zinc/90/45/85/584904585.db2.gz DFCVKLXZLMZDGI-BDAKNGLRSA-N 2 0 265.304 -0.194 20 0 CBADRP C[C@@H]1CN(Cc2cnnn2[C@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000903918399 584904702 /nfs/dbraw/zinc/90/47/02/584904702.db2.gz YLCLXAWQWKVHNO-NTZNESFSSA-N 2 0 264.377 -0.018 20 0 CBADRP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)CCOCC[NH3+])cnn1C ZINC000903933946 584904901 /nfs/dbraw/zinc/90/49/01/584904901.db2.gz BSECYLNPAVBYMA-ZDUSSCGKSA-N 3 0 283.420 -0.247 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903964123 584905150 /nfs/dbraw/zinc/90/51/50/584905150.db2.gz MKIPMQOPXSHGBY-NQBHXWOUSA-N 2 0 264.377 -0.100 20 0 CBADRP C[C@@]1(C[NH2+]CC[C@H]2CNCCS2(=O)=O)CC[NH2+]C1 ZINC000903970238 584905341 /nfs/dbraw/zinc/90/53/41/584905341.db2.gz SMWXWUVSLCKIJV-RYUDHWBXSA-N 2 0 275.418 -0.648 20 0 CBADRP CC1(C)CN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@H]1[NH3+] ZINC000903986688 584905468 /nfs/dbraw/zinc/90/54/68/584905468.db2.gz PLTDWWGQWRBYOM-NWDGAFQWSA-N 2 0 268.405 -0.147 20 0 CBADRP CC1(C)CN(C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H]1[NH3+] ZINC000903986687 584905491 /nfs/dbraw/zinc/90/54/91/584905491.db2.gz PLTDWWGQWRBYOM-NEPJUHHUSA-N 2 0 268.405 -0.147 20 0 CBADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC000969846510 614189309 /nfs/dbraw/zinc/18/93/09/614189309.db2.gz XBDVFRLONCOPFP-ZYHUDNBSSA-N 2 0 270.377 -0.752 20 0 CBADRP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC000970333930 614431890 /nfs/dbraw/zinc/43/18/90/614431890.db2.gz FHXJVMAHFGVVBC-GFCCVEGCSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000962759227 615112393 /nfs/dbraw/zinc/11/23/93/615112393.db2.gz ZLHNTZDFLMTGFR-RQJABVFESA-N 2 0 281.400 -0.101 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1)[NH+](C)C ZINC000969985864 615374383 /nfs/dbraw/zinc/37/43/83/615374383.db2.gz NCVNEOCIKBBMTI-AGIUHOORSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC000969985201 615374461 /nfs/dbraw/zinc/37/44/61/615374461.db2.gz FANLVGJIIJWUMC-UPJWGTAASA-N 2 0 296.415 -0.252 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC000969074453 615602715 /nfs/dbraw/zinc/60/27/15/615602715.db2.gz DWJKELZPDUEUQN-NXEZZACHSA-N 2 0 256.350 -0.998 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980405563 615616310 /nfs/dbraw/zinc/61/63/10/615616310.db2.gz KDXCGVYVWQLKOV-QWHCGFSZSA-N 2 0 296.415 -0.121 20 0 CBADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1)C(N)=O ZINC000969985670 615822378 /nfs/dbraw/zinc/82/23/78/615822378.db2.gz LVSQURNTYUWZGA-WOPDTQHZSA-N 2 0 284.404 -0.219 20 0 CBADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC000969595032 615822730 /nfs/dbraw/zinc/82/27/30/615822730.db2.gz LIGJZSKVLHHIQZ-GRYCIOLGSA-N 2 0 282.388 -0.465 20 0 CBADRP C[N@H+](CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC000968924810 616045029 /nfs/dbraw/zinc/04/50/29/616045029.db2.gz YERRLNHFZBWINJ-DGCLKSJQSA-N 2 0 294.399 -0.450 20 0 CBADRP CN(CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000971204700 616054249 /nfs/dbraw/zinc/05/42/49/616054249.db2.gz NQVSLGDJJLACPJ-GHMZBOCLSA-N 2 0 268.361 -0.901 20 0 CBADRP CN(CC(N)=O)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971551870 616055888 /nfs/dbraw/zinc/05/58/88/616055888.db2.gz KZTUUZXHGHRREQ-STQMWFEESA-N 2 0 294.399 -0.654 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)CC1 ZINC000961663249 616167583 /nfs/dbraw/zinc/16/75/83/616167583.db2.gz MIINOGVIVNVSOB-WDNDVIMCSA-N 2 0 281.400 -0.243 20 0 CBADRP C[NH+]1CCC(CC(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC000970178504 616167892 /nfs/dbraw/zinc/16/78/92/616167892.db2.gz UJMFUKSRKFBVOG-GFCCVEGCSA-N 2 0 282.388 -0.606 20 0 CBADRP C[N@H+](CCO)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000972633655 616175186 /nfs/dbraw/zinc/17/51/86/616175186.db2.gz BCBKAOMYBAHJLN-ZDUSSCGKSA-N 2 0 299.415 -0.378 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000960590841 616184601 /nfs/dbraw/zinc/18/46/01/616184601.db2.gz BZVLLHBJZNARRH-QNWHQSFQSA-N 2 0 267.373 -0.491 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC000983326460 616194254 /nfs/dbraw/zinc/19/42/54/616194254.db2.gz PTMYRLWEQOHSPO-ZDEQEGDKSA-N 2 0 294.399 -0.547 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC000963632622 616210904 /nfs/dbraw/zinc/21/09/04/616210904.db2.gz UMDWZOCXRMQWHA-WAQQSHLVSA-N 2 0 294.399 -0.417 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000958413937 616212750 /nfs/dbraw/zinc/21/27/50/616212750.db2.gz BBMPSYMVBDVXOE-WHOHXGKFSA-N 2 0 253.346 -0.881 20 0 CBADRP CN1CCO[C@H](C(=O)N[C@H]2C[N@H+](CCCO)CC2(C)C)C1 ZINC000972991033 616260145 /nfs/dbraw/zinc/26/01/45/616260145.db2.gz CNOXLUBDTIQXDZ-STQMWFEESA-N 2 0 299.415 -0.474 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCF)C[C@H]32)C1 ZINC000962554843 616267761 /nfs/dbraw/zinc/26/77/61/616267761.db2.gz OADWTKRYWJMZMP-WYUUTHIRSA-N 2 0 255.337 -0.046 20 0 CBADRP C[N@H+](CCO)[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000972733793 616268851 /nfs/dbraw/zinc/26/88/51/616268851.db2.gz RZIBBHDTALQNHU-STQMWFEESA-N 2 0 269.389 -0.147 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000970481225 616269060 /nfs/dbraw/zinc/26/90/60/616269060.db2.gz AILXINFTNUHZHE-NWDGAFQWSA-N 2 0 255.362 -0.489 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(CCF)C[C@H]32)C1 ZINC000962554837 616380243 /nfs/dbraw/zinc/38/02/43/616380243.db2.gz OADWTKRYWJMZMP-NNYUYHANSA-N 2 0 255.337 -0.046 20 0 CBADRP COCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958590956 616441569 /nfs/dbraw/zinc/44/15/69/616441569.db2.gz DCXVTVAKLHQFGL-QWHCGFSZSA-N 2 0 297.399 -0.863 20 0 CBADRP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962557873 616466313 /nfs/dbraw/zinc/46/63/13/616466313.db2.gz VIPPNNLGLFLGOF-IMRBUKKESA-N 2 0 267.373 -0.225 20 0 CBADRP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000897440081 656292894 /nfs/dbraw/zinc/29/28/94/656292894.db2.gz MPVLAQMGVMJNLH-AAEUAGOBSA-N 2 0 257.378 -0.101 20 0 CBADRP [NH3+]C[C@@H]1CCCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905331037 656349188 /nfs/dbraw/zinc/34/91/88/656349188.db2.gz YAHLJVOFASUHDH-NSHDSACASA-N 2 0 261.391 -0.261 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)C3C[NH2+]C3)CC[C@H]21 ZINC000923665644 658388121 /nfs/dbraw/zinc/38/81/21/658388121.db2.gz GABJLEDRGDTIFJ-MWLCHTKSSA-N 2 0 259.375 -0.686 20 0 CBADRP [NH3+]CC(C[NH3+])N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000923352209 658224834 /nfs/dbraw/zinc/22/48/34/658224834.db2.gz QXWZFNHTEHCQQA-LLVKDONJSA-N 2 0 266.320 -0.193 20 0 CBADRP C[C@H](NC(C[NH3+])C[NH3+])C(=O)N[C@H]1CCCC[C@@H]1C ZINC000923352718 658225119 /nfs/dbraw/zinc/22/51/19/658225119.db2.gz QOLZROPXUGXDTE-NHCYSSNCSA-N 2 0 256.394 -0.055 20 0 CBADRP CC(C)CN(CC(F)(F)F)C(=O)CNC(C[NH3+])C[NH3+] ZINC000923351102 658225326 /nfs/dbraw/zinc/22/53/26/658225326.db2.gz GHOALRJZKLIBFW-UHFFFAOYSA-N 2 0 284.326 -0.091 20 0 CBADRP C[C@H]1Cc2ccccc2N1C(=O)CNC(C[NH3+])C[NH3+] ZINC000923352593 658225501 /nfs/dbraw/zinc/22/55/01/658225501.db2.gz PCBCSGUDKPMRTQ-JTQLQIEISA-N 2 0 262.357 -0.160 20 0 CBADRP COc1ccccc1N1CC[C@H](NC(C[NH3+])C[NH3+])C1=O ZINC000923352218 658225804 /nfs/dbraw/zinc/22/58/04/658225804.db2.gz RKNVZULXUFVZQJ-NSHDSACASA-N 2 0 278.356 -0.324 20 0 CBADRP Cc1ccc(NC(=O)CNC(C[NH3+])C[NH3+])cc1F ZINC000923352699 658225940 /nfs/dbraw/zinc/22/59/40/658225940.db2.gz QMEJOBJWFGMDEL-UHFFFAOYSA-N 2 0 254.309 -0.052 20 0 CBADRP CN(CCCOc1ccccc1)C(=O)CNC(C[NH3+])C[NH3+] ZINC000923351347 658226041 /nfs/dbraw/zinc/22/60/41/658226041.db2.gz JGVAHUQPQAJDSV-UHFFFAOYSA-N 2 0 294.399 -0.211 20 0 CBADRP C[C@@H](NC(C[NH3+])C[NH3+])C(=O)NCc1ccccc1F ZINC000923350902 658226077 /nfs/dbraw/zinc/22/60/77/658226077.db2.gz BQRJEDQXFQKDLY-SECBINFHSA-N 2 0 268.336 -0.294 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@H](Nc3ncccn3)C2)C1 ZINC000923384198 658244491 /nfs/dbraw/zinc/24/44/91/658244491.db2.gz CSDKQOMPTLDJAX-BJDJZHNGSA-N 2 0 263.345 -0.187 20 0 CBADRP C[C@H]1CC[N@H+](CCN2C(=O)CN(C)C2=O)C[C@@H]1C[NH3+] ZINC000923375656 658245807 /nfs/dbraw/zinc/24/58/07/658245807.db2.gz OMBWGDYPMSNMBL-QWRGUYRKSA-N 2 0 268.361 -0.203 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000923378547 658246209 /nfs/dbraw/zinc/24/62/09/658246209.db2.gz FCNKTRAPRBTVOL-UONOGXRCSA-N 2 0 271.405 -0.247 20 0 CBADRP COC[C@@](C)(CC(=O)OC)[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923376136 658246814 /nfs/dbraw/zinc/24/68/14/658246814.db2.gz JCJYFTYAIRTDCQ-DGCLKSJQSA-N 2 0 286.372 -0.077 20 0 CBADRP Cc1cc(C)n(CCN2CC[NH2+]CC[NH2+]CC2)n1 ZINC000923459488 658285954 /nfs/dbraw/zinc/28/59/54/658285954.db2.gz CPPLRAHLFTXXNI-UHFFFAOYSA-N 2 0 251.378 -0.005 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923453336 658288463 /nfs/dbraw/zinc/28/84/63/658288463.db2.gz ALGOFMXYPVZVPG-QWRGUYRKSA-N 2 0 298.387 -0.340 20 0 CBADRP CCNC(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449888 658288701 /nfs/dbraw/zinc/28/87/01/658288701.db2.gz DBKSRCRFFRMEBF-LLVKDONJSA-N 2 0 255.362 -0.048 20 0 CBADRP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923487220 658304685 /nfs/dbraw/zinc/30/46/85/658304685.db2.gz BCYDHZMWPPVDIR-GHMZBOCLSA-N 2 0 286.376 -0.482 20 0 CBADRP C[C@H]1C[N@H+](CCS(=O)(=O)N(C)C)CC[C@@H]1C[NH3+] ZINC000923488406 658304735 /nfs/dbraw/zinc/30/47/35/658304735.db2.gz FLMRTBXMZROAJU-WDEREUQCSA-N 2 0 263.407 -0.206 20 0 CBADRP NS(=O)(=O)C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000923531092 658314799 /nfs/dbraw/zinc/31/47/99/658314799.db2.gz NTHFJFJRWKSOKQ-VXGBXAGGSA-N 2 0 275.418 -0.014 20 0 CBADRP NS(=O)(=O)C[C@@H]1CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000923531360 658315977 /nfs/dbraw/zinc/31/59/77/658315977.db2.gz OWOWKETUCBTVCU-HBNTYKKESA-N 2 0 261.391 -0.276 20 0 CBADRP C[NH2+]C[C@H]1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923569954 658333679 /nfs/dbraw/zinc/33/36/79/658333679.db2.gz ODDIYEJKPZZPHR-GHMZBOCLSA-N 2 0 261.391 -0.391 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923572256 658334402 /nfs/dbraw/zinc/33/44/02/658334402.db2.gz CGYXPDLMGMABPF-QWRGUYRKSA-N 2 0 261.391 -0.248 20 0 CBADRP [NH3+][C@@H](CNS(=O)(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000923570027 658334621 /nfs/dbraw/zinc/33/46/21/658334621.db2.gz PCBRZFANLLBORT-LBPRGKRZSA-N 2 0 284.385 -0.574 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923618204 658353927 /nfs/dbraw/zinc/35/39/27/658353927.db2.gz KINRBIOOLXKRQU-RYUDHWBXSA-N 2 0 290.433 -0.592 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)C1C[NH2+]C1 ZINC000923619594 658356169 /nfs/dbraw/zinc/35/61/69/658356169.db2.gz XTXLNIPBKNBRDX-KOLCDFICSA-N 2 0 261.391 -0.440 20 0 CBADRP C[C@H]1C[C@@H](N(C)S(=O)(=O)C2C[NH2+]C2)CC[N@@H+]1C ZINC000923617492 658356424 /nfs/dbraw/zinc/35/64/24/658356424.db2.gz DHONMGXSXGYISA-UWVGGRQHSA-N 2 0 261.391 -0.298 20 0 CBADRP C[C@H](NS(=O)(=O)C1C[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000923624503 658356710 /nfs/dbraw/zinc/35/67/10/658356710.db2.gz IXXYUGOSVKGXMF-VIFPVBQESA-N 2 0 263.407 -0.146 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923623202 658357942 /nfs/dbraw/zinc/35/79/42/658357942.db2.gz YCFUWRCREGPNRV-JTQLQIEISA-N 2 0 261.391 -0.438 20 0 CBADRP CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923622237 658358283 /nfs/dbraw/zinc/35/82/83/658358283.db2.gz WDTHBTPGMLOQJO-LLVKDONJSA-N 2 0 275.418 -0.048 20 0 CBADRP CC[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000923636740 658368112 /nfs/dbraw/zinc/36/81/12/658368112.db2.gz NHGPNGUGHGUCCH-WDEREUQCSA-N 2 0 276.406 -0.804 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923639129 658368217 /nfs/dbraw/zinc/36/82/17/658368217.db2.gz ZIKMWWIRWIXMHQ-GMTAPVOTSA-N 2 0 261.391 -0.344 20 0 CBADRP O=S(=O)(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000923644110 658370141 /nfs/dbraw/zinc/37/01/41/658370141.db2.gz HPQSFBTXZKKZEC-LPEHRKFASA-N 2 0 265.354 -0.642 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923655602 658380574 /nfs/dbraw/zinc/38/05/74/658380574.db2.gz PPRVNKDCXKQPAH-GFCCVEGCSA-N 2 0 287.429 0.000 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923656771 658381366 /nfs/dbraw/zinc/38/13/66/658381366.db2.gz YDRPZOGRYVVJLG-GRYCIOLGSA-N 2 0 275.418 -0.002 20 0 CBADRP CC1(C)CC[C@@H](CNS(=O)(=O)N2CC[NH2+]CC2)[NH2+]C1 ZINC000923664528 658386974 /nfs/dbraw/zinc/38/69/74/658386974.db2.gz BVHQYHXCWKEGTA-NSHDSACASA-N 2 0 290.433 -0.496 20 0 CBADRP [NH3+][C@@H](CCNS(=O)(=O)C1C[NH2+]C1)Cc1ccccc1 ZINC000923665714 658387199 /nfs/dbraw/zinc/38/71/99/658387199.db2.gz JWQSJOGAFXDAEQ-LBPRGKRZSA-N 2 0 283.397 -0.162 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(S(=O)(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000923665121 658387905 /nfs/dbraw/zinc/38/79/05/658387905.db2.gz BUOKGLLELMQOSY-NWDGAFQWSA-N 2 0 288.417 -0.838 20 0 CBADRP C[NH+](C)CCOCCN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924730053 658633485 /nfs/dbraw/zinc/63/34/85/658633485.db2.gz OCDLTNWYUYWVCE-JTQLQIEISA-N 2 0 272.349 -0.953 20 0 CBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](C)CCO ZINC000925007505 658736524 /nfs/dbraw/zinc/73/65/24/658736524.db2.gz QEOMYEMFNZFURC-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CNOC2)CC[NH2+]CC1 ZINC000925861270 658875003 /nfs/dbraw/zinc/87/50/03/658875003.db2.gz ZUGLQZNOQLLQTB-GHMZBOCLSA-N 2 0 271.361 -0.199 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000928448365 659024265 /nfs/dbraw/zinc/02/42/65/659024265.db2.gz NVUJOAMOXMJZQW-CHWSQXEVSA-N 2 0 268.405 -0.167 20 0 CBADRP COCC[N@H+](C[C@@H](O)CO)CC1CC[NH+](C)CC1 ZINC000931380287 659439177 /nfs/dbraw/zinc/43/91/77/659439177.db2.gz HWPKBWSRAGHQQD-CYBMUJFWSA-N 2 0 260.378 -0.370 20 0 CBADRP COC(=O)[C@@](C)(O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436020 659460867 /nfs/dbraw/zinc/46/08/67/659460867.db2.gz JWIBIJXGVOSTCP-LOWVWBTDSA-N 2 0 256.346 -0.206 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436594 659461833 /nfs/dbraw/zinc/46/18/33/659461833.db2.gz IUEYMKMPRLMNSW-RRFJBIMHSA-N 2 0 285.432 -0.191 20 0 CBADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC000931437532 659463670 /nfs/dbraw/zinc/46/36/70/659463670.db2.gz RZRPGFPLQATBQN-VWYCJHECSA-N 2 0 251.330 -0.325 20 0 CBADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCC(=O)NC(N)=O)C[C@@H]2C1 ZINC000931434430 659464252 /nfs/dbraw/zinc/46/42/52/659464252.db2.gz USWYUYMYIZTOMN-MNOVXSKESA-N 2 0 268.361 -0.155 20 0 CBADRP Cn1nnnc1CC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931442069 659465581 /nfs/dbraw/zinc/46/55/81/659465581.db2.gz TVXUMWLSOMNCJE-MNOVXSKESA-N 2 0 250.350 -0.364 20 0 CBADRP CON(C)C(=O)CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931482093 659470911 /nfs/dbraw/zinc/47/09/11/659470911.db2.gz ORNIEFVYBZSKGJ-UHFFFAOYSA-N 2 0 273.377 -0.215 20 0 CBADRP CCOC(=O)[C@@](C)(O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931481764 659472148 /nfs/dbraw/zinc/47/21/48/659472148.db2.gz LGAXKRMRJYGMSS-ZDUSSCGKSA-N 2 0 288.388 -0.311 20 0 CBADRP CC(=O)NCCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931483150 659472901 /nfs/dbraw/zinc/47/29/01/659472901.db2.gz WCVFGYIQKOXWFV-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP CN1CCN(C(=O)C[NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000044518365 656010574 /nfs/dbraw/zinc/01/05/74/656010574.db2.gz DRKXKRMYJVODLN-UHFFFAOYSA-N 2 0 268.405 -0.308 20 0 CBADRP C[N@@H+]1CCC[C@H](CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000044558099 656010578 /nfs/dbraw/zinc/01/05/78/656010578.db2.gz HRGRKXWFLSXUIL-VXGBXAGGSA-N 2 0 275.418 0.000 20 0 CBADRP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@H](C)CO1 ZINC000053298631 656026516 /nfs/dbraw/zinc/02/65/16/656026516.db2.gz YDAZAAFHWCQPTI-VXGBXAGGSA-N 2 0 255.362 -0.083 20 0 CBADRP COCCNC(=[NH2+])NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000066246629 656036407 /nfs/dbraw/zinc/03/64/07/656036407.db2.gz JORNZZASDCAXFO-LBPRGKRZSA-N 2 0 299.419 -0.520 20 0 CBADRP CCOC[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000069280083 656039213 /nfs/dbraw/zinc/03/92/13/656039213.db2.gz GWFXGHIAGSSXCS-RYUDHWBXSA-N 2 0 273.377 -0.829 20 0 CBADRP O=C(COC1CC[NH2+]CC1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091667898 656059258 /nfs/dbraw/zinc/05/92/58/656059258.db2.gz OJVFDJVHCRVYOU-TZMCWYRMSA-N 2 0 297.399 -0.266 20 0 CBADRP CN(C)C(=O)CN1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000121178252 656066821 /nfs/dbraw/zinc/06/68/21/656066821.db2.gz TUVCCZBCEZLJOK-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP CN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H]1CC[NH2+]C1 ZINC000179085876 656089670 /nfs/dbraw/zinc/08/96/70/656089670.db2.gz KFEVLSVVUUJQHM-NEPJUHHUSA-N 2 0 282.388 -0.783 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000220260727 656105123 /nfs/dbraw/zinc/10/51/23/656105123.db2.gz WACVOYUEHVPLDC-LLVKDONJSA-N 2 0 278.422 -0.544 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000250374324 656121886 /nfs/dbraw/zinc/12/18/86/656121886.db2.gz JSLVLEFFWBPRQF-VXGBXAGGSA-N 2 0 254.378 -0.524 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000250254494 656122012 /nfs/dbraw/zinc/12/20/12/656122012.db2.gz IXGATTNYYAFMCK-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250572378 656122023 /nfs/dbraw/zinc/12/20/23/656122023.db2.gz LHHYPMLCHVAIAG-DYEKYZERSA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)[NH2+]CC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252554298 656122893 /nfs/dbraw/zinc/12/28/93/656122893.db2.gz ROVZDHFQGUTCGL-RYUDHWBXSA-N 2 0 255.362 -0.036 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261594068 656125132 /nfs/dbraw/zinc/12/51/32/656125132.db2.gz NHUKRPQFKGVPBH-QWHCGFSZSA-N 2 0 268.405 -0.119 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261594069 656125385 /nfs/dbraw/zinc/12/53/85/656125385.db2.gz NHUKRPQFKGVPBH-STQMWFEESA-N 2 0 268.405 -0.119 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000262135223 656129416 /nfs/dbraw/zinc/12/94/16/656129416.db2.gz OGDKCVVEEKTNBN-WZRBSPASSA-N 2 0 284.404 -0.186 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](C)[C@@H](C)C1 ZINC000310849834 656144339 /nfs/dbraw/zinc/14/43/39/656144339.db2.gz IWDVXSKREPNADZ-STQMWFEESA-N 2 0 259.394 -0.439 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000311169811 656145607 /nfs/dbraw/zinc/14/56/07/656145607.db2.gz RZFYWDUEFOTBCM-AVGNSLFASA-N 2 0 259.394 -0.405 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000311601520 656145725 /nfs/dbraw/zinc/14/57/25/656145725.db2.gz TUBGZBZJSDGWAF-UONOGXRCSA-N 2 0 271.405 -0.389 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1C[C@@H](O)C[N@H+](C)CCOC ZINC000311456046 656145743 /nfs/dbraw/zinc/14/57/43/656145743.db2.gz KOJATYKQGUZXOB-KBPBESRZSA-N 2 0 273.421 -0.001 20 0 CBADRP CC[C@@H]1CN(C[C@@H](O)C[N@H+](C)CCOC)CC[C@H]1[NH3+] ZINC000311686258 656146078 /nfs/dbraw/zinc/14/60/78/656146078.db2.gz JQTGMAMUYBJOEV-HZSPNIEDSA-N 2 0 273.421 -0.015 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC000353428806 656162053 /nfs/dbraw/zinc/16/20/53/656162053.db2.gz FFDOASNGSLNSGX-ZIAGYGMSSA-N 2 0 299.415 -0.068 20 0 CBADRP O=C1[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1C1CCOCC1 ZINC000359307710 656164942 /nfs/dbraw/zinc/16/49/42/656164942.db2.gz OBYJICZUJYOSSZ-SCRDCRAPSA-N 2 0 279.384 -0.083 20 0 CBADRP CC1(C)NC(=O)N(CCN2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1=O ZINC000703538259 656183656 /nfs/dbraw/zinc/18/36/56/656183656.db2.gz GONXMLDTCJZFMK-IINYFYTJSA-N 2 0 280.372 -0.142 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000705228976 656185196 /nfs/dbraw/zinc/18/51/96/656185196.db2.gz IHEIRHWCMIGKRT-LBPRGKRZSA-N 2 0 254.378 -0.571 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000705913354 656187386 /nfs/dbraw/zinc/18/73/86/656187386.db2.gz RQBGBQGMZLJVRL-UPJWGTAASA-N 3 0 270.421 -0.079 20 0 CBADRP C[NH2+]CCOCCN(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000706611066 656188221 /nfs/dbraw/zinc/18/82/21/656188221.db2.gz HSRPNGKQSBARFE-CYBMUJFWSA-N 2 0 259.394 -0.389 20 0 CBADRP OCC[NH2+][C@@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000708591038 656194298 /nfs/dbraw/zinc/19/42/98/656194298.db2.gz PRAOONJWSNLJSZ-ZIAGYGMSSA-N 2 0 271.405 -0.511 20 0 CBADRP CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@@H](CO)[C@H]1CO ZINC000709827192 656196163 /nfs/dbraw/zinc/19/61/63/656196163.db2.gz QQYWQEBOHJFLSH-MELADBBJSA-N 2 0 274.405 -0.247 20 0 CBADRP C[NH2+]CCCN(C)C(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710710140 656199863 /nfs/dbraw/zinc/19/98/63/656199863.db2.gz HGXCXZHVKWJFPA-LBPRGKRZSA-N 2 0 259.350 -0.941 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710784758 656201303 /nfs/dbraw/zinc/20/13/03/656201303.db2.gz TUFAFQNKBOBBGS-JSGCOSHPSA-N 2 0 285.388 -0.408 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C[NH2+]CCO1 ZINC000710784237 656201411 /nfs/dbraw/zinc/20/14/11/656201411.db2.gz QGEKEUBNVKGTBM-SGMGOOAPSA-N 2 0 283.372 -0.656 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH2+]CCO1 ZINC000710789903 656202431 /nfs/dbraw/zinc/20/24/31/656202431.db2.gz QTCOWUWWMZHWMI-BZPMIXESSA-N 2 0 285.388 -0.410 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710829886 656204226 /nfs/dbraw/zinc/20/42/26/656204226.db2.gz PTVVVHRTIWKERA-JSGCOSHPSA-N 2 0 287.404 -0.162 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710829887 656204783 /nfs/dbraw/zinc/20/47/83/656204783.db2.gz PTVVVHRTIWKERA-OCCSQVGLSA-N 2 0 287.404 -0.162 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710830403 656205049 /nfs/dbraw/zinc/20/50/49/656205049.db2.gz QVSFETMMKQVUPN-AWEZNQCLSA-N 2 0 287.404 -0.208 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000715536974 656220350 /nfs/dbraw/zinc/22/03/50/656220350.db2.gz GZIHNHVIBFNNDX-OLZOCXBDSA-N 2 0 268.405 -0.119 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)c1c(C[NH3+])cnn1C ZINC000719256310 656234571 /nfs/dbraw/zinc/23/45/71/656234571.db2.gz LKMALLPFWOVBIZ-SECBINFHSA-N 2 0 253.350 -0.051 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000877192942 656245627 /nfs/dbraw/zinc/24/56/27/656245627.db2.gz VCTFIAUENQWJTL-QWKFWESOSA-N 2 0 253.346 -0.153 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C[NH2+]C[C@@H]1CCCO1)C2 ZINC000877380058 656246056 /nfs/dbraw/zinc/24/60/56/656246056.db2.gz QCNPLZOEXFFIDP-SGMGOOAPSA-N 2 0 267.373 -0.177 20 0 CBADRP [NH3+]Cc1ncc(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)cn1 ZINC000877386425 656246858 /nfs/dbraw/zinc/24/68/58/656246858.db2.gz RATRSPYLBJXGSN-MFKMUULPSA-N 2 0 261.329 -0.050 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885009657 656258828 /nfs/dbraw/zinc/25/88/28/656258828.db2.gz AYMRTTQKOFHJKU-CLLJXQQHSA-N 2 0 296.415 -0.347 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000892435548 656271685 /nfs/dbraw/zinc/27/16/85/656271685.db2.gz ADYCQNVRBXXVDJ-IJLUTSLNSA-N 2 0 270.377 -0.127 20 0 CBADRP C[NH+](C)CC[C@@](C)(O)CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897440156 656293042 /nfs/dbraw/zinc/29/30/42/656293042.db2.gz NWAUVNPSOUIWCZ-DZGCQCFKSA-N 2 0 299.415 -0.474 20 0 CBADRP O=C(N[C@@H](CO)C[NH+]1CCCC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897766906 656294802 /nfs/dbraw/zinc/29/48/02/656294802.db2.gz SWNPPYFSOKJAJZ-ZIAGYGMSSA-N 2 0 297.399 -0.720 20 0 CBADRP O=C(N[C@H](CO)C[NH+]1CCCC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897766903 656295142 /nfs/dbraw/zinc/29/51/42/656295142.db2.gz SWNPPYFSOKJAJZ-KBPBESRZSA-N 2 0 297.399 -0.720 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CCN1C ZINC000900846586 656313606 /nfs/dbraw/zinc/31/36/06/656313606.db2.gz IGIFQSWEZRGSTH-NQBHXWOUSA-N 2 0 255.362 -0.396 20 0 CBADRP NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507364 656322077 /nfs/dbraw/zinc/32/20/77/656322077.db2.gz XJIRLCKGMXRGEV-TXEJJXNPSA-N 2 0 252.362 -0.628 20 0 CBADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000904332143 656325183 /nfs/dbraw/zinc/32/51/83/656325183.db2.gz NOXXLVYBTUKABQ-FRRDWIJNSA-N 2 0 266.389 -0.380 20 0 CBADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000904385418 656325724 /nfs/dbraw/zinc/32/57/24/656325724.db2.gz YFFBOEPETLNUQI-OFTGVCEQSA-N 3 0 280.372 -0.409 20 0 CBADRP C[C@@]1(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)CCC[NH2+]C1 ZINC000904428428 656326705 /nfs/dbraw/zinc/32/67/05/656326705.db2.gz KHOSHKMZCQKZEO-VXGBXAGGSA-N 2 0 275.418 -0.014 20 0 CBADRP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@H]1CS(N)(=O)=O ZINC000904461422 656327865 /nfs/dbraw/zinc/32/78/65/656327865.db2.gz AQUUITUICRSMAF-GRYCIOLGSA-N 2 0 275.418 -0.158 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000904461409 656327943 /nfs/dbraw/zinc/32/79/43/656327943.db2.gz JJTCDEGSWXZNAB-NEPJUHHUSA-N 3 0 268.405 -0.229 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1 ZINC000904958463 656330848 /nfs/dbraw/zinc/33/08/48/656330848.db2.gz GRZPVCFHWVNCTK-YWPYICTPSA-N 2 0 294.399 -0.783 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCC([NH3+])CC3)C[C@]2(C)C1 ZINC000904959697 656330885 /nfs/dbraw/zinc/33/08/85/656330885.db2.gz LLKMQKPOSZPMEG-ABAIWWIYSA-N 2 0 294.399 -0.654 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)C[C@H]1[NH3+] ZINC000904966494 656331273 /nfs/dbraw/zinc/33/12/73/656331273.db2.gz YBTIOUVMKOZXIT-VXGBXAGGSA-N 2 0 298.431 -0.162 20 0 CBADRP CC[NH+]1CCC([NH2+]C[C@H](O)C2(O)CCOCC2)CC1 ZINC000905025533 656335142 /nfs/dbraw/zinc/33/51/42/656335142.db2.gz LGTZIRMZYOSFEC-ZDUSSCGKSA-N 2 0 272.389 -0.037 20 0 CBADRP C[N@@H+]1CCN(CC[NH2+]C[C@@H](O)C2(O)CCC2)CC1(C)C ZINC000905245023 656346088 /nfs/dbraw/zinc/34/60/88/656346088.db2.gz BHIAKEKMPBJJMD-CYBMUJFWSA-N 2 0 285.432 -0.122 20 0 CBADRP C[NH+](C)CCN1CCC([NH2+]C[C@H](O)C2(O)CCC2)CC1 ZINC000905294792 656348665 /nfs/dbraw/zinc/34/86/65/656348665.db2.gz KQYJHWMJMHTTDP-AWEZNQCLSA-N 2 0 285.432 -0.122 20 0 CBADRP NS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000905294916 656348931 /nfs/dbraw/zinc/34/89/31/656348931.db2.gz LZCSSVIWILJOLG-PHIMTYICSA-N 2 0 274.390 -0.910 20 0 CBADRP C[C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000905330519 656349203 /nfs/dbraw/zinc/34/92/03/656349203.db2.gz TWPXGLQWILPELV-JQWIXIFHSA-N 2 0 275.418 -0.015 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000905343127 656350466 /nfs/dbraw/zinc/35/04/66/656350466.db2.gz HWIZCFVXIWZJBR-OLZOCXBDSA-N 2 0 287.429 0.000 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905343767 656350602 /nfs/dbraw/zinc/35/06/02/656350602.db2.gz SVVWAYSZKFCLOX-JQWIXIFHSA-N 2 0 275.418 -0.015 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@H]1CC[NH2+]C1 ZINC000905342969 656350841 /nfs/dbraw/zinc/35/08/41/656350841.db2.gz DPAZUKDVXFRKIA-NSHDSACASA-N 2 0 261.391 -0.485 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905345000 656351118 /nfs/dbraw/zinc/35/11/18/656351118.db2.gz SUAHIZKTAQBWDC-PWSUYJOCSA-N 2 0 275.418 -0.097 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905358032 656353316 /nfs/dbraw/zinc/35/33/16/656353316.db2.gz CYBUTHFRAUCHEF-GXSJLCMTSA-N 2 0 261.391 -0.263 20 0 CBADRP [NH3+][C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CC[C@H]1F ZINC000905361693 656353563 /nfs/dbraw/zinc/35/35/63/656353563.db2.gz KRPGTVINQYKNGF-GHMZBOCLSA-N 2 0 279.381 -0.313 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000905448045 656357357 /nfs/dbraw/zinc/35/73/57/656357357.db2.gz WZDROVNQQAFMKY-ZIAGYGMSSA-N 2 0 271.405 -0.247 20 0 CBADRP O=c1ccn(CCC[NH2+]C[C@H](O)C[NH+]2CCCC2)c(=O)[nH]1 ZINC000905702929 656366740 /nfs/dbraw/zinc/36/67/40/656366740.db2.gz RRIBVYGOYHHEMJ-LBPRGKRZSA-N 2 0 296.371 -0.615 20 0 CBADRP C[C@H](Cn1ccnc1)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906196937 656379153 /nfs/dbraw/zinc/37/91/53/656379153.db2.gz BZNTUKCTUSJQSP-GFCCVEGCSA-N 2 0 279.388 -0.119 20 0 CBADRP C[C@@H](Cn1ccnc1)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906196938 656379392 /nfs/dbraw/zinc/37/93/92/656379392.db2.gz BZNTUKCTUSJQSP-LBPRGKRZSA-N 2 0 279.388 -0.119 20 0 CBADRP C[C@H](O)CN1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000906595999 656393194 /nfs/dbraw/zinc/39/31/94/656393194.db2.gz PVHQGTFZVXEAHZ-ZDUSSCGKSA-N 2 0 298.431 -0.995 20 0 CBADRP C[C@@H](O)CN1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000906595997 656393290 /nfs/dbraw/zinc/39/32/90/656393290.db2.gz PVHQGTFZVXEAHZ-CYBMUJFWSA-N 2 0 298.431 -0.995 20 0 CBADRP C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906646635 656395184 /nfs/dbraw/zinc/39/51/84/656395184.db2.gz USMYBFAAEAAMTL-LLVKDONJSA-N 2 0 276.340 -0.096 20 0 CBADRP CC(C)[C@H](C(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1)[NH+](C)C ZINC000996250784 656405184 /nfs/dbraw/zinc/40/51/84/656405184.db2.gz XVHQGEWXAGZKOP-WCQYABFASA-N 2 0 298.431 -0.116 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000996610787 656446839 /nfs/dbraw/zinc/44/68/39/656446839.db2.gz KNKOKGMNNXWRPB-NWDGAFQWSA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000997007888 656463240 /nfs/dbraw/zinc/46/32/40/656463240.db2.gz RGIMMFSCFWZVLJ-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC000997299608 656471751 /nfs/dbraw/zinc/47/17/51/656471751.db2.gz PYDUPEKIBMPOCR-QWRGUYRKSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC([NH2+]CCO)CC1 ZINC000997313611 656472463 /nfs/dbraw/zinc/47/24/63/656472463.db2.gz RVQVFONEAJVIQI-CYBMUJFWSA-N 2 0 299.415 -0.472 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000997307471 656472501 /nfs/dbraw/zinc/47/25/01/656472501.db2.gz RTGBHBZFDNHJNM-CYBMUJFWSA-N 2 0 294.399 -0.449 20 0 CBADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC(N)=O)CC1 ZINC000997515142 656484316 /nfs/dbraw/zinc/48/43/16/656484316.db2.gz JAHVHJSMYDFKQQ-WCQYABFASA-N 2 0 296.415 -0.217 20 0 CBADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]CC(N)=O)C1 ZINC000998550677 656546555 /nfs/dbraw/zinc/54/65/55/656546555.db2.gz OJEGEANOZGXDLC-ILDUYXDCSA-N 2 0 268.361 -0.855 20 0 CBADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC([NH2+]CC(N)=O)C1 ZINC000998779877 656583941 /nfs/dbraw/zinc/58/39/41/656583941.db2.gz HUBMUBKWZDRAKZ-WXRRBKDZSA-N 2 0 294.399 -0.608 20 0 CBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@H]([NH2+]CCO)C1 ZINC000999175031 656614816 /nfs/dbraw/zinc/61/48/16/656614816.db2.gz SMXUNHSUKRQLHE-KBPBESRZSA-N 2 0 281.400 -0.099 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)CC[N@@H+]1C ZINC000999197959 656615713 /nfs/dbraw/zinc/61/57/13/656615713.db2.gz ZJQDQEVAYMCJTB-FRRDWIJNSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1)C1CC1 ZINC000999372828 656625133 /nfs/dbraw/zinc/62/51/33/656625133.db2.gz PEHVALVXGDLJEN-WCQYABFASA-N 2 0 282.388 -0.608 20 0 CBADRP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1)C1CC1 ZINC000999372835 656625757 /nfs/dbraw/zinc/62/57/57/656625757.db2.gz PEHVALVXGDLJEN-YPMHNXCESA-N 2 0 282.388 -0.608 20 0 CBADRP C[NH+]1CCC(ONC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000908029506 656627654 /nfs/dbraw/zinc/62/76/54/656627654.db2.gz LWGFVAUWMXPQJS-CQSZACIVSA-N 2 0 285.388 -0.025 20 0 CBADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC([NH2+]CCO)C1 ZINC000999687783 656645454 /nfs/dbraw/zinc/64/54/54/656645454.db2.gz JWGIBDNUBWQCMF-PNESKVBLSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H]([NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC000999832312 656656510 /nfs/dbraw/zinc/65/65/10/656656510.db2.gz DIFMCEJRCDHODE-VOMCLLRMSA-N 2 0 282.388 -0.465 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000908201957 656667105 /nfs/dbraw/zinc/66/71/05/656667105.db2.gz NNMPTVDLKCZYEE-XQQFMLRXSA-N 2 0 267.373 -0.252 20 0 CBADRP C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000908205559 656670508 /nfs/dbraw/zinc/67/05/08/656670508.db2.gz NLMJLKQMVJKQAL-ZFWWWQNUSA-N 2 0 299.415 -0.594 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001000080419 656687813 /nfs/dbraw/zinc/68/78/13/656687813.db2.gz FHKWHHVXBKFSHT-YPMHNXCESA-N 2 0 296.415 -0.217 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)C1 ZINC000908346886 656709974 /nfs/dbraw/zinc/70/99/74/656709974.db2.gz IMNSCJNVTKAEHI-OCCSQVGLSA-N 2 0 280.416 -0.358 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2CC[C@H]3C[NH+](C)C[C@@H]32)C1 ZINC000908346884 656710890 /nfs/dbraw/zinc/71/08/90/656710890.db2.gz IMNSCJNVTKAEHI-JSGCOSHPSA-N 2 0 280.416 -0.358 20 0 CBADRP C[NH+](C)CCONC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000908527457 656739910 /nfs/dbraw/zinc/73/99/10/656739910.db2.gz FNDGBKGHNQNSGG-GFCCVEGCSA-N 2 0 259.350 -0.557 20 0 CBADRP COCC[NH+]1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000908705214 656756778 /nfs/dbraw/zinc/75/67/78/656756778.db2.gz BLRNTBHYINRACO-CQSZACIVSA-N 2 0 271.405 -0.293 20 0 CBADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001000703009 656759927 /nfs/dbraw/zinc/75/99/27/656759927.db2.gz SVAGAEUNBZCGQF-RYUDHWBXSA-N 2 0 294.399 -0.463 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001000922292 656774486 /nfs/dbraw/zinc/77/44/86/656774486.db2.gz ABYXOVDBMGLBRA-STQMWFEESA-N 2 0 294.399 -0.449 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001000922282 656774706 /nfs/dbraw/zinc/77/47/06/656774706.db2.gz ABYXOVDBMGLBRA-CHWSQXEVSA-N 2 0 294.399 -0.449 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001000936632 656777060 /nfs/dbraw/zinc/77/70/60/656777060.db2.gz GXYUNJUCDJEDQY-UONOGXRCSA-N 2 0 299.415 -0.472 20 0 CBADRP C[NH+]1CCC(C(=O)NCC2CC[NH+](CC(N)=O)CC2)CC1 ZINC001001794605 656822024 /nfs/dbraw/zinc/82/20/24/656822024.db2.gz JELSEEILBXRMJD-UHFFFAOYSA-N 2 0 296.415 -0.358 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCO)CC1 ZINC001002474155 656834259 /nfs/dbraw/zinc/83/42/59/656834259.db2.gz IOPAYMOGQCGCJI-LBPRGKRZSA-N 2 0 255.362 -0.347 20 0 CBADRP O=C(NC1CC[NH+](CCO)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001002828631 656841945 /nfs/dbraw/zinc/84/19/45/656841945.db2.gz KKZAQCLTYWZEQD-CQSZACIVSA-N 2 0 281.400 -0.099 20 0 CBADRP C[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004150238 656881232 /nfs/dbraw/zinc/88/12/32/656881232.db2.gz QRONHAAIQQJLMP-NWDGAFQWSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC000910961025 656915499 /nfs/dbraw/zinc/91/54/99/656915499.db2.gz YUYMAGMAMDJRRB-HNNXBMFYSA-N 2 0 294.399 -0.449 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000910976318 656918459 /nfs/dbraw/zinc/91/84/59/656918459.db2.gz HTYJRFABONESHL-WUHRBBMRSA-N 2 0 296.415 -0.158 20 0 CBADRP CC[NH+]1CCC(CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000911003048 656926822 /nfs/dbraw/zinc/92/68/22/656926822.db2.gz GRTOIXIGIGOQDN-DGCLKSJQSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000911009591 656928438 /nfs/dbraw/zinc/92/84/38/656928438.db2.gz SUIWTBMGUASAAQ-NOOOWODRSA-N 2 0 282.388 -0.691 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1[NH3+] ZINC000911072207 656939089 /nfs/dbraw/zinc/93/90/89/656939089.db2.gz HCCZQNFQJOKNCS-CKYFFXLPSA-N 2 0 280.372 -0.855 20 0 CBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000911072359 656939906 /nfs/dbraw/zinc/93/99/06/656939906.db2.gz JOWCRMSFDBCMEV-YRRQLQLVSA-N 2 0 292.383 -0.652 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000911073283 656940654 /nfs/dbraw/zinc/94/06/54/656940654.db2.gz RGFQUVSMQACJBQ-TUAOUCFPSA-N 2 0 294.399 -0.417 20 0 CBADRP C[NH2+]CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000911074050 656941119 /nfs/dbraw/zinc/94/11/19/656941119.db2.gz YPBJSKCJYVTKDI-GFCCVEGCSA-N 2 0 296.415 -0.204 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000911073490 656941251 /nfs/dbraw/zinc/94/12/51/656941251.db2.gz SSZQFRYQJDZCSF-JQWIXIFHSA-N 2 0 294.399 -0.547 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911077389 656941924 /nfs/dbraw/zinc/94/19/24/656941924.db2.gz HYIOUKVDAKHIEL-CYDGBPFRSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000911081306 656942790 /nfs/dbraw/zinc/94/27/90/656942790.db2.gz VUWVGEABBREOQX-YVECIDJPSA-N 2 0 296.415 -0.301 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CCC1 ZINC000911112645 656950698 /nfs/dbraw/zinc/95/06/98/656950698.db2.gz GCQHKZQZBTXXGR-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP CCCC[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911113965 656951468 /nfs/dbraw/zinc/95/14/68/656951468.db2.gz LJQRNYUZRABCHL-UHFFFAOYSA-N 2 0 296.415 -0.025 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CCC1 ZINC000911113806 656951523 /nfs/dbraw/zinc/95/15/23/656951523.db2.gz IZTFOTVUDCMLJZ-LLVKDONJSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCC1 ZINC000911117475 656955633 /nfs/dbraw/zinc/95/56/33/656955633.db2.gz XHDDDBPBFYKVCL-GRYCIOLGSA-N 2 0 294.399 -0.404 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911137715 656960350 /nfs/dbraw/zinc/96/03/50/656960350.db2.gz GKHVPOXYHCOLQD-UHFFFAOYSA-N 2 0 270.377 -0.558 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911144504 656962396 /nfs/dbraw/zinc/96/23/96/656962396.db2.gz AAYYQMACKONBOW-MRBYEJRBSA-N 2 0 294.399 -0.561 20 0 CBADRP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911147760 656963081 /nfs/dbraw/zinc/96/30/81/656963081.db2.gz SNCIVOOYXUQZDC-WFFHOREQSA-N 2 0 294.399 -0.691 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[N@@H+]1C1CC1 ZINC000911148332 656965303 /nfs/dbraw/zinc/96/53/03/656965303.db2.gz XCNQRUSZVAXGCK-BJDJZHNGSA-N 2 0 294.399 -0.419 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911185973 656976201 /nfs/dbraw/zinc/97/62/01/656976201.db2.gz DZUYMLHQVUWRGH-IJLUTSLNSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](NC(=O)C(=O)NCC1([NH3+])CC1)C(C)(C)C[NH+](C)C ZINC000911196120 656980221 /nfs/dbraw/zinc/98/02/21/656980221.db2.gz AVCUSWJGUHJELP-JTQLQIEISA-N 2 0 284.404 -0.314 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000911199136 656981209 /nfs/dbraw/zinc/98/12/09/656981209.db2.gz AGVIQZNYINAMED-OUCADQQQSA-N 2 0 269.389 -0.006 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000911199137 656981997 /nfs/dbraw/zinc/98/19/97/656981997.db2.gz AGVIQZNYINAMED-SCRDCRAPSA-N 2 0 269.389 -0.006 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000911205347 656984358 /nfs/dbraw/zinc/98/43/58/656984358.db2.gz JTNVVEPNWQXHJL-UTUOFQBUSA-N 2 0 296.415 -0.171 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911211263 656987448 /nfs/dbraw/zinc/98/74/48/656987448.db2.gz UHCGRWIIIJWTOD-AVGNSLFASA-N 2 0 296.415 -0.170 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911244291 656996747 /nfs/dbraw/zinc/99/67/47/656996747.db2.gz LCNBSLYOEZVTEK-GFCCVEGCSA-N 2 0 284.404 -0.358 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911244763 656996833 /nfs/dbraw/zinc/99/68/33/656996833.db2.gz RLGLTHYJMNXCPC-UHFFFAOYSA-N 2 0 256.350 -0.948 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911244957 656997062 /nfs/dbraw/zinc/99/70/62/656997062.db2.gz UZOXYJDQPPUNDG-HNNXBMFYSA-N 2 0 296.415 -0.201 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911256505 657000523 /nfs/dbraw/zinc/00/05/23/657000523.db2.gz VCFGUFBOHHQMMM-UHFFFAOYSA-N 2 0 270.377 -0.558 20 0 CBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911259212 657001187 /nfs/dbraw/zinc/00/11/87/657001187.db2.gz WAQYEPUKXVSDHG-NSHDSACASA-N 2 0 296.415 -0.170 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000911269699 657004347 /nfs/dbraw/zinc/00/43/47/657004347.db2.gz OGPBBRPKFPIKJK-MNOVXSKESA-N 2 0 280.372 -0.663 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000911270149 657005210 /nfs/dbraw/zinc/00/52/10/657005210.db2.gz UEWJPFKWVZQTIC-YNEHKIRRSA-N 2 0 296.415 -0.360 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000911270229 657005397 /nfs/dbraw/zinc/00/53/97/657005397.db2.gz JJUGRSQRUHJLSS-UHFFFAOYSA-N 2 0 293.371 -0.511 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)C[C@]2(C)C1 ZINC000911280980 657008336 /nfs/dbraw/zinc/00/83/36/657008336.db2.gz CHAMRIDOGPZLDY-XUJVJEKNSA-N 2 0 294.399 -0.735 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911291707 657011891 /nfs/dbraw/zinc/01/18/91/657011891.db2.gz MYIAQJMJOPFKRP-YWPYICTPSA-N 2 0 296.415 -0.504 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911295493 657012884 /nfs/dbraw/zinc/01/28/84/657012884.db2.gz GJBBPIQUAYWSLT-LBPRGKRZSA-N 2 0 298.431 -0.114 20 0 CBADRP C[NH+](C)C1CCC(NC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911314256 657018558 /nfs/dbraw/zinc/01/85/58/657018558.db2.gz INTHMGKPYGTOFU-UHFFFAOYSA-N 2 0 282.388 -0.417 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000911324451 657020768 /nfs/dbraw/zinc/02/07/68/657020768.db2.gz CWDVNUZSROTYNI-TUAOUCFPSA-N 2 0 296.415 -0.362 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000911337803 657022411 /nfs/dbraw/zinc/02/24/11/657022411.db2.gz WVLKSEJFWXIIFY-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000911338113 657022909 /nfs/dbraw/zinc/02/29/09/657022909.db2.gz XXFLAMIDRATPJY-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911337085 657023320 /nfs/dbraw/zinc/02/33/20/657023320.db2.gz PVJVCYXILLFBGI-SNVBAGLBSA-N 2 0 268.361 -0.806 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000911370013 657028982 /nfs/dbraw/zinc/02/89/82/657028982.db2.gz LFOICIHBLWUYMY-MROQNXINSA-N 2 0 296.415 -0.348 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911374682 657030758 /nfs/dbraw/zinc/03/07/58/657030758.db2.gz MAZRGNJRVPWLAN-JHJVBQTASA-N 2 0 296.415 -0.301 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911486281 657054820 /nfs/dbraw/zinc/05/48/20/657054820.db2.gz ADCAEVOVRBDHSP-FRRDWIJNSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CC1)C[NH+]1CCCCC1 ZINC000911503986 657057191 /nfs/dbraw/zinc/05/71/91/657057191.db2.gz SAYINNQKOMKJCU-GFCCVEGCSA-N 2 0 296.415 -0.168 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911503962 657057200 /nfs/dbraw/zinc/05/72/00/657057200.db2.gz RPBHSLPTYZSGSS-NSHDSACASA-N 2 0 282.388 -0.465 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000911504523 657058578 /nfs/dbraw/zinc/05/85/78/657058578.db2.gz ZXXBBYNBFVWYQQ-GFCCVEGCSA-N 2 0 294.399 -0.319 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCC3([NH3+])CC3)CC[C@H]21 ZINC000911504730 657058781 /nfs/dbraw/zinc/05/87/81/657058781.db2.gz NNLPHRYTCKUBEO-VXGBXAGGSA-N 2 0 294.399 -0.463 20 0 CBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)[C@H](C)C1 ZINC000911505389 657059666 /nfs/dbraw/zinc/05/96/66/657059666.db2.gz BXVUNCOKRQTOOS-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CCC1(C)C ZINC000911507117 657061324 /nfs/dbraw/zinc/06/13/24/657061324.db2.gz WIIUDKVJSJEOJO-UHFFFAOYSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911531988 657069377 /nfs/dbraw/zinc/06/93/77/657069377.db2.gz IFUMAPWVMICVJQ-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000911534621 657069693 /nfs/dbraw/zinc/06/96/93/657069693.db2.gz VPNHPXBXPNVRGX-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911534777 657069959 /nfs/dbraw/zinc/06/99/59/657069959.db2.gz XFRZVTATDRQXFK-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911543672 657073287 /nfs/dbraw/zinc/07/32/87/657073287.db2.gz YXLJQCPRXPRMSY-NNYUYHANSA-N 2 0 280.372 -0.794 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911551440 657075797 /nfs/dbraw/zinc/07/57/97/657075797.db2.gz LRRJHPOSZUWBKZ-FVCCEPFGSA-N 2 0 294.399 -0.452 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911555432 657076963 /nfs/dbraw/zinc/07/69/63/657076963.db2.gz ADTAFBOBYAZUEJ-JHJVBQTASA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911556751 657077173 /nfs/dbraw/zinc/07/71/73/657077173.db2.gz LRMWNRVAZPQBPT-AVGNSLFASA-N 2 0 296.415 -0.219 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911562019 657079416 /nfs/dbraw/zinc/07/94/16/657079416.db2.gz JHGGXJHNEWRRFD-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911567389 657080001 /nfs/dbraw/zinc/08/00/01/657080001.db2.gz MAFHFLWXYGBNNR-HAQNSBGRSA-N 2 0 298.431 -0.114 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911564181 657080454 /nfs/dbraw/zinc/08/04/54/657080454.db2.gz XKNIAJJUGIBXIS-JOCQHMNTSA-N 2 0 298.431 -0.114 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)C1 ZINC000911618560 657085851 /nfs/dbraw/zinc/08/58/51/657085851.db2.gz BDMUJPPAXYQRQV-JTQLQIEISA-N 2 0 266.345 -0.165 20 0 CBADRP [NH3+]C1CCN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000911623230 657087096 /nfs/dbraw/zinc/08/70/96/657087096.db2.gz FKBYQTNEROGTLT-CYBMUJFWSA-N 2 0 266.345 -0.165 20 0 CBADRP C[NH2+]C1CC(C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000911627824 657088006 /nfs/dbraw/zinc/08/80/06/657088006.db2.gz AXJYYXLEAPGGQT-UHFFFAOYSA-N 2 0 254.378 -0.604 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911628592 657088974 /nfs/dbraw/zinc/08/89/74/657088974.db2.gz AZHDCFJUTXVUIJ-YNEHKIRRSA-N 2 0 266.389 -0.462 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)NCCCN2CC[NH2+]CC2)n1 ZINC000911628237 657089107 /nfs/dbraw/zinc/08/91/07/657089107.db2.gz JTMFYMJKBPNQRZ-UHFFFAOYSA-N 2 0 294.403 -0.743 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)C12CC(C1)C[NH2+]2 ZINC000911629140 657089305 /nfs/dbraw/zinc/08/93/05/657089305.db2.gz FUVMZADCOAGCTK-UHFFFAOYSA-N 2 0 252.362 -0.850 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000911633538 657090817 /nfs/dbraw/zinc/09/08/17/657090817.db2.gz HJBPTSIJLWBPCT-JSGCOSHPSA-N 2 0 298.431 -0.066 20 0 CBADRP O=C(C1=NOC2(C1)CC[NH2+]CC2)N1CC[NH2+]CC1 ZINC000911649006 657095848 /nfs/dbraw/zinc/09/58/48/657095848.db2.gz OVYHCHRCHIIDRU-UHFFFAOYSA-N 2 0 252.318 -0.683 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC000911656465 657097054 /nfs/dbraw/zinc/09/70/54/657097054.db2.gz OEJBHBGVHANZAV-MDZLAQPJSA-N 2 0 253.346 -0.567 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CCC[NH2+]CC1 ZINC000911654954 657097667 /nfs/dbraw/zinc/09/76/67/657097667.db2.gz DUEALGJDIDHVIE-GFCCVEGCSA-N 2 0 270.377 -0.702 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)C1 ZINC000911661460 657099164 /nfs/dbraw/zinc/09/91/64/657099164.db2.gz VBWGVPFJFIWDNF-GWCFXTLKSA-N 2 0 266.345 -0.295 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)NCC2CC[NH2+]CC2)C1=O ZINC000911671844 657100112 /nfs/dbraw/zinc/10/01/12/657100112.db2.gz DNLGDZCWEAMDDM-LBPRGKRZSA-N 2 0 282.388 -0.701 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)N[C@H]2CCC[NH2+]C2)n1 ZINC000911675010 657102123 /nfs/dbraw/zinc/10/21/23/657102123.db2.gz ZPLTVIDIBIRLNU-JTQLQIEISA-N 2 0 251.334 -0.286 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)C1=CCC[NH2+]CC1 ZINC000911694315 657105344 /nfs/dbraw/zinc/10/53/44/657105344.db2.gz URHUZKBCXYBIBD-UHFFFAOYSA-N 2 0 252.362 -0.682 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911696167 657106412 /nfs/dbraw/zinc/10/64/12/657106412.db2.gz RRCXSDQHXPARDK-SKDRFNHKSA-N 2 0 252.318 -0.637 20 0 CBADRP CC(C)(C)[C@@H]([NH3+])CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911702516 657106895 /nfs/dbraw/zinc/10/68/95/657106895.db2.gz LWGJPKGNVHXTJN-JTQLQIEISA-N 2 0 270.377 -0.702 20 0 CBADRP CC(C)C[C@H]([NH3+])CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911701878 657108090 /nfs/dbraw/zinc/10/80/90/657108090.db2.gz GFPYETUDLZWEME-NSHDSACASA-N 2 0 270.377 -0.702 20 0 CBADRP CC(C)(C)[C@H]([NH3+])CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911702517 657108148 /nfs/dbraw/zinc/10/81/48/657108148.db2.gz LWGJPKGNVHXTJN-SNVBAGLBSA-N 2 0 270.377 -0.702 20 0 CBADRP CC(C)C[C@@](C)(C[NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911702954 657110600 /nfs/dbraw/zinc/11/06/00/657110600.db2.gz SRPMFEAARXMWNT-AWEZNQCLSA-N 2 0 284.404 -0.455 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CCC[C@@H](C[NH3+])C2)C1=O ZINC000911708299 657111353 /nfs/dbraw/zinc/11/13/53/657111353.db2.gz VRRQKCWFKSKDNM-RYUDHWBXSA-N 2 0 282.388 -0.619 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)NC[C@H]2CCC[NH2+]C2)C1=O ZINC000911708641 657112024 /nfs/dbraw/zinc/11/20/24/657112024.db2.gz XVXZDVMXWPGKAI-RYUDHWBXSA-N 2 0 282.388 -0.701 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[NH2+]C[C@H]1C ZINC000911718401 657113098 /nfs/dbraw/zinc/11/30/98/657113098.db2.gz AJXQGTDGBDLJOG-PWSUYJOCSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@H](NC(=O)C[C@]1(O)CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000911717048 657114273 /nfs/dbraw/zinc/11/42/73/657114273.db2.gz ASMQCRPPQXYNHK-SGMGOOAPSA-N 2 0 269.389 -0.005 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000911718705 657115709 /nfs/dbraw/zinc/11/57/09/657115709.db2.gz JRIULXHLRTVVSP-DYEKYZERSA-N 2 0 298.431 -0.020 20 0 CBADRP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000911720977 657116023 /nfs/dbraw/zinc/11/60/23/657116023.db2.gz STTGCWYAGFQANM-NOHGZBONSA-N 2 0 255.362 -0.396 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C2=CCC[NH2+]CC2)C1 ZINC000911729484 657117446 /nfs/dbraw/zinc/11/74/46/657117446.db2.gz HGPFAFHWCCDHDN-CYBMUJFWSA-N 2 0 294.399 -0.390 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C23CC(C2)C[NH2+]3)C1 ZINC000911730460 657118070 /nfs/dbraw/zinc/11/80/70/657118070.db2.gz OSVYQUZOXZNCTG-IQLKVPPVSA-N 2 0 280.372 -0.948 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC000911736068 657119228 /nfs/dbraw/zinc/11/92/28/657119228.db2.gz HCOWANMUDVUHEO-YPMHNXCESA-N 2 0 255.362 -0.299 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)C1 ZINC000911731954 657119374 /nfs/dbraw/zinc/11/93/74/657119374.db2.gz ZZAHHWKQTFGXIX-HUBLWGQQSA-N 2 0 294.399 -0.701 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)NC[C@H]2CCC[NH2+]2)C1=O ZINC000911751084 657120949 /nfs/dbraw/zinc/12/09/49/657120949.db2.gz IEFABXZTPZYEHU-GHMZBOCLSA-N 2 0 268.361 -0.948 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NCC[C@@H]1CC[NH2+]C1 ZINC000911766060 657124570 /nfs/dbraw/zinc/12/45/70/657124570.db2.gz FMNPDIAMXGTSGX-AAEUAGOBSA-N 2 0 255.362 -0.393 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911775423 657125250 /nfs/dbraw/zinc/12/52/50/657125250.db2.gz OVMDOIQCDLQIFC-YNEHKIRRSA-N 2 0 266.389 -0.510 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911782767 657128325 /nfs/dbraw/zinc/12/83/25/657128325.db2.gz MSIVZSZPJBGLMA-ZYHUDNBSSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C[C@@H](C)[NH2+]1 ZINC000911799185 657132980 /nfs/dbraw/zinc/13/29/80/657132980.db2.gz FYQQBTBLDZIWBU-BYNQJWBRSA-N 2 0 267.373 -0.179 20 0 CBADRP C[C@@H]1CN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC000911803403 657134614 /nfs/dbraw/zinc/13/46/14/657134614.db2.gz RUDLRBYSCFYBIF-MFKMUULPSA-N 2 0 266.345 -0.295 20 0 CBADRP C[C@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[NH2+]1 ZINC000911810931 657136585 /nfs/dbraw/zinc/13/65/85/657136585.db2.gz NUNXRAYHIBDSBX-WDEREUQCSA-N 2 0 268.361 -0.996 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911810539 657136935 /nfs/dbraw/zinc/13/69/35/657136935.db2.gz NBIYHENWNBPNRS-CABZTGNLSA-N 2 0 254.334 -0.310 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC000911809360 657136954 /nfs/dbraw/zinc/13/69/54/657136954.db2.gz GERFGYMZDOBBLX-VIFPVBQESA-N 2 0 254.334 -0.310 20 0 CBADRP C[C@H]1CN(C(=O)Cc2csc(C[NH3+])n2)CC[NH2+]1 ZINC000911809462 657137236 /nfs/dbraw/zinc/13/72/36/657137236.db2.gz JKWZSOSZROZVTM-QMMMGPOBSA-N 2 0 254.359 -0.035 20 0 CBADRP C[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCN2C)[C@@H]1C[NH3+] ZINC000911827498 657142019 /nfs/dbraw/zinc/14/20/19/657142019.db2.gz VRUNRRFCBKUHGW-IJLUTSLNSA-N 2 0 254.378 -0.524 20 0 CBADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H]1C[NH2+]CCN1C ZINC000911828818 657142075 /nfs/dbraw/zinc/14/20/75/657142075.db2.gz DGTWHNCDDVJZBY-AAEUAGOBSA-N 2 0 256.394 -0.230 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)N[C@@H](C[NH3+])C2CC2)n1 ZINC000911831990 657142157 /nfs/dbraw/zinc/14/21/57/657142157.db2.gz DXSLUZHWFZSANX-NSHDSACASA-N 2 0 251.334 -0.301 20 0 CBADRP [NH3+]C[C@@H](NC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2)C1CC1 ZINC000911833995 657143682 /nfs/dbraw/zinc/14/36/82/657143682.db2.gz OCVRSZNCZMPDAK-DGCLKSJQSA-N 2 0 266.345 -0.262 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)CCNC(=O)[C@H]([NH3+])C(C)C ZINC000911864911 657148856 /nfs/dbraw/zinc/14/88/56/657148856.db2.gz UUXOZHOMVLJEFT-DGCLKSJQSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H]([NH3+])c1ccc(CNC(=O)CNCC[NH3+])cc1 ZINC000911856672 657148936 /nfs/dbraw/zinc/14/89/36/657148936.db2.gz RIKIYSWRHPSANT-JTQLQIEISA-N 2 0 250.346 -0.129 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000911864876 657149450 /nfs/dbraw/zinc/14/94/50/657149450.db2.gz TZKYSPASDGBUHV-AAEUAGOBSA-N 2 0 255.362 -0.299 20 0 CBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC000911871057 657150490 /nfs/dbraw/zinc/15/04/90/657150490.db2.gz QWXFHUFUIVAKKN-LOWVWBTDSA-N 2 0 257.378 -0.069 20 0 CBADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000911877708 657152606 /nfs/dbraw/zinc/15/26/06/657152606.db2.gz CLRXRZOGVCOEQQ-SDDRHHMPSA-N 2 0 256.394 -0.149 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CCO1 ZINC000911878775 657153740 /nfs/dbraw/zinc/15/37/40/657153740.db2.gz AAJSEGULCRHDFE-RNWYCLNJSA-N 2 0 253.346 -0.584 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@H](C[NH3+])C1 ZINC000911879588 657154033 /nfs/dbraw/zinc/15/40/33/657154033.db2.gz NXPVANJCZIAOJO-IRCOFANPSA-N 2 0 252.362 -0.772 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000911880028 657154181 /nfs/dbraw/zinc/15/41/81/657154181.db2.gz JULJATJYIOAYPL-OPRDCNLKSA-N 2 0 261.391 -0.359 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CCO1 ZINC000911879072 657154420 /nfs/dbraw/zinc/15/44/20/657154420.db2.gz CGYIQYBRMKVFKD-LOWVWBTDSA-N 2 0 271.361 -0.934 20 0 CBADRP CN1CCN(C(=O)CCSCCC[NH3+])[C@H](C[NH3+])C1 ZINC000911880988 657155540 /nfs/dbraw/zinc/15/55/40/657155540.db2.gz XTAFRILWAYXNGN-LLVKDONJSA-N 2 0 274.434 -0.440 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCO1 ZINC000911883278 657156499 /nfs/dbraw/zinc/15/64/99/657156499.db2.gz YHQQKARHLNUEHZ-WCQYABFASA-N 2 0 285.388 -0.328 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)CCO1 ZINC000911885887 657158050 /nfs/dbraw/zinc/15/80/50/657158050.db2.gz ZYMCHCKZFKIGPX-DCQANWLSSA-N 2 0 253.346 -0.297 20 0 CBADRP CN(CC1C[NH+](C)C1)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000912452836 657265833 /nfs/dbraw/zinc/26/58/33/657265833.db2.gz AZTKSSUHPPFRFU-YPMHNXCESA-N 2 0 255.362 -0.539 20 0 CBADRP CN1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)[C@H](CO)C1 ZINC000912734122 657317834 /nfs/dbraw/zinc/31/78/34/657317834.db2.gz DQONFTKBJDTJMX-AWEZNQCLSA-N 2 0 297.399 -0.768 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCO)C2)CC[N@@H+]1C ZINC001014484111 657362545 /nfs/dbraw/zinc/36/25/45/657362545.db2.gz OWFXBBUCJTWOFY-GRYCIOLGSA-N 2 0 255.362 -0.491 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](CCO)C2)CC[N@@H+]1C ZINC001015616936 657481438 /nfs/dbraw/zinc/48/14/38/657481438.db2.gz YJHSBPXHXVEGCF-RWMBFGLXSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCO)C2)CC1 ZINC001015654635 657504763 /nfs/dbraw/zinc/50/47/63/657504763.db2.gz BSUPXJIAQLOQHH-ZDUSSCGKSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCO)C2)C1 ZINC001015705082 657522771 /nfs/dbraw/zinc/52/27/71/657522771.db2.gz HTVMGUMVEPIJGZ-NEPJUHHUSA-N 2 0 255.362 -0.489 20 0 CBADRP O=C(N[C@H]1CC[N@@H+](CCCO)C1)C12CC[NH+](CC1)C2 ZINC001016003872 657630110 /nfs/dbraw/zinc/63/01/10/657630110.db2.gz QNIYKLZJYCAAMP-LBPRGKRZSA-N 2 0 267.373 -0.345 20 0 CBADRP O=C(N[C@H]1CC[N@@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC001016004086 657630328 /nfs/dbraw/zinc/63/03/28/657630328.db2.gz VPRASZSHWNXBFX-NSHDSACASA-N 2 0 253.346 -0.735 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+]1C ZINC000914176849 657667437 /nfs/dbraw/zinc/66/74/37/657667437.db2.gz ROHBJUGOAYKQJS-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCCO)C1 ZINC001016263226 657675922 /nfs/dbraw/zinc/67/59/22/657675922.db2.gz WJCRXVVOYLPKGE-GFCCVEGCSA-N 2 0 255.362 -0.345 20 0 CBADRP C[C@@H](CN1CCOCC1)NC(=S)NCC[NH+](C)C ZINC000916004670 657757496 /nfs/dbraw/zinc/75/74/96/657757496.db2.gz RFKITUOUZORNIC-NSHDSACASA-N 2 0 274.434 -0.267 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000916332809 657770844 /nfs/dbraw/zinc/77/08/44/657770844.db2.gz ZKIGGXVOFBWXDG-NEPJUHHUSA-N 2 0 272.393 -0.044 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NC[C@H]1CC[NH+]1C ZINC000916331516 657770930 /nfs/dbraw/zinc/77/09/30/657770930.db2.gz OTBOKSCJUFDOAK-LLVKDONJSA-N 2 0 258.366 -0.432 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000916841518 657789188 /nfs/dbraw/zinc/78/91/88/657789188.db2.gz GAHLLUYDGFFLFM-JHJVBQTASA-N 2 0 282.388 -0.147 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NC1CC([NH+](C)C)C1 ZINC000916920659 657794408 /nfs/dbraw/zinc/79/44/08/657794408.db2.gz SRXYUCOBHJVUMI-UHFFFAOYSA-N 2 0 263.407 -0.050 20 0 CBADRP CCN1CCO[C@@H](CNC(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000919128297 657844519 /nfs/dbraw/zinc/84/45/19/657844519.db2.gz WAWNUXOQHNKLFV-RYUDHWBXSA-N 2 0 270.377 -0.290 20 0 CBADRP CCN1CCO[C@H](CNC(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000919128296 657844715 /nfs/dbraw/zinc/84/47/15/657844715.db2.gz WAWNUXOQHNKLFV-NWDGAFQWSA-N 2 0 270.377 -0.290 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001018866120 657851227 /nfs/dbraw/zinc/85/12/27/657851227.db2.gz STKYATBMYVVNMG-OUAUKWLOSA-N 2 0 268.361 -0.998 20 0 CBADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCO)C1)[NH+](C)C ZINC001018999284 657858106 /nfs/dbraw/zinc/85/81/06/657858106.db2.gz MPALVSQHUSUERW-RYUDHWBXSA-N 2 0 257.378 -0.245 20 0 CBADRP NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001019189680 657869437 /nfs/dbraw/zinc/86/94/37/657869437.db2.gz YERQOJJCHWMYSG-GXTWGEPZSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001019241687 657875395 /nfs/dbraw/zinc/87/53/95/657875395.db2.gz UTRPUPJJVYBZKO-OUAUKWLOSA-N 2 0 268.361 -0.855 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019241577 657875815 /nfs/dbraw/zinc/87/58/15/657875815.db2.gz KVAPRZWVTHZNEK-QJPTWQEYSA-N 2 0 280.372 -0.840 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019261056 657876878 /nfs/dbraw/zinc/87/68/78/657876878.db2.gz GRWWAVIIZKDJGD-XQQFMLRXSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019381485 657891184 /nfs/dbraw/zinc/89/11/84/657891184.db2.gz KAPOTSCCTSQRFI-NEPJUHHUSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001019382412 657891305 /nfs/dbraw/zinc/89/13/05/657891305.db2.gz ANMTZCPELHPEKJ-QWRGUYRKSA-N 2 0 268.361 -0.996 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019381487 657891729 /nfs/dbraw/zinc/89/17/29/657891729.db2.gz KAPOTSCCTSQRFI-RYUDHWBXSA-N 2 0 255.362 -0.347 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1)[NH+](C)C ZINC001019397120 657893363 /nfs/dbraw/zinc/89/33/63/657893363.db2.gz JSSDKTBMGZOCKM-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@@H](C)O)C1)[NH+](C)C ZINC001019395015 657893599 /nfs/dbraw/zinc/89/35/99/657893599.db2.gz WNZGOMIFFLKNMF-WOPDTQHZSA-N 2 0 257.378 -0.102 20 0 CBADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001019593114 657919156 /nfs/dbraw/zinc/91/91/56/657919156.db2.gz JPCRBOJRFSQZFN-ZDUSSCGKSA-N 2 0 296.415 -0.217 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001019774632 657938632 /nfs/dbraw/zinc/93/86/32/657938632.db2.gz BMQBVXGUWXCREH-ZDUSSCGKSA-N 2 0 292.387 -0.436 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001020029082 657988650 /nfs/dbraw/zinc/98/86/50/657988650.db2.gz UCFOSCJQYJIXHC-KKOKHZNYSA-N 2 0 282.388 -0.419 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001020029079 657991031 /nfs/dbraw/zinc/99/10/31/657991031.db2.gz UCFOSCJQYJIXHC-BJDJZHNGSA-N 2 0 282.388 -0.419 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020144071 658017824 /nfs/dbraw/zinc/01/78/24/658017824.db2.gz PNXZGEMKLJLBTK-IJLUTSLNSA-N 2 0 282.388 -0.419 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)C(N)=O ZINC001020161921 658020124 /nfs/dbraw/zinc/02/01/24/658020124.db2.gz UAZBKTWAYXYJQI-JHEVNIALSA-N 2 0 294.399 -0.561 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001020302234 658034452 /nfs/dbraw/zinc/03/44/52/658034452.db2.gz IAOIWVBUCNDQOB-CYDGBPFRSA-N 2 0 296.415 -0.029 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020297736 658034661 /nfs/dbraw/zinc/03/46/61/658034661.db2.gz XTDKVLJFNOWJNS-IJLUTSLNSA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001020297244 658034747 /nfs/dbraw/zinc/03/47/47/658034747.db2.gz DIVPEINEQVVBNN-FIQHERPVSA-N 2 0 282.388 -0.419 20 0 CBADRP C[C@H]([NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1)C(N)=O ZINC001020589071 658075884 /nfs/dbraw/zinc/07/58/84/658075884.db2.gz WFBQWJIXQBHJQS-BJDJZHNGSA-N 2 0 282.388 -0.561 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1)C(N)=O ZINC001020587855 658075988 /nfs/dbraw/zinc/07/59/88/658075988.db2.gz XIXZKVLBCXZPQZ-CYDGBPFRSA-N 2 0 296.415 -0.029 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1)C(N)=O ZINC001020587857 658076801 /nfs/dbraw/zinc/07/68/01/658076801.db2.gz XIXZKVLBCXZPQZ-LPWJVIDDSA-N 2 0 296.415 -0.029 20 0 CBADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001020818614 658095646 /nfs/dbraw/zinc/09/56/46/658095646.db2.gz VCXAPIHBTHECQK-HAQNSBGRSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH+](C)C1(CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000922982319 658117663 /nfs/dbraw/zinc/11/76/63/658117663.db2.gz AGBFORZCMUQXOG-NSHDSACASA-N 2 0 270.377 -0.554 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001020932449 658117953 /nfs/dbraw/zinc/11/79/53/658117953.db2.gz IIBMTBMNKPQHOV-GMTAPVOTSA-N 2 0 280.372 -0.807 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020928004 658119564 /nfs/dbraw/zinc/11/95/64/658119564.db2.gz SJEFUSMKUTZAHW-FDYHWXHSSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H]1CN(CCO)CCN1C(=O)NCC1([NH+](C)C)CC1 ZINC000922989789 658120932 /nfs/dbraw/zinc/12/09/32/658120932.db2.gz AIXXMMLLELJIPD-LBPRGKRZSA-N 2 0 284.404 -0.211 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001021047564 658133179 /nfs/dbraw/zinc/13/31/79/658133179.db2.gz HUNMOOBDDCHNLQ-JHJVBQTASA-N 2 0 294.399 -0.593 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001021047460 658134650 /nfs/dbraw/zinc/13/46/50/658134650.db2.gz DPZISFOFMXPMKM-LPWJVIDDSA-N 2 0 294.399 -0.547 20 0 CBADRP Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001021049091 658141441 /nfs/dbraw/zinc/14/14/41/658141441.db2.gz HJJZAOXJEHXOTB-SRVKXCTJSA-N 2 0 292.387 -0.198 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001021051320 658143515 /nfs/dbraw/zinc/14/35/15/658143515.db2.gz JIEZXJQNONJXMO-IJLUTSLNSA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001021049319 658143701 /nfs/dbraw/zinc/14/37/01/658143701.db2.gz MEJJGVAIJFVQHX-BJDJZHNGSA-N 2 0 255.362 -0.444 20 0 CBADRP CC(C)COC[C@@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000923283523 658188087 /nfs/dbraw/zinc/18/80/87/658188087.db2.gz BDXRVQNOQANQJR-AWEZNQCLSA-N 2 0 273.421 -0.143 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283771 658188206 /nfs/dbraw/zinc/18/82/06/658188206.db2.gz YDIGMANNUWMFFS-CHWSQXEVSA-N 2 0 285.388 -0.863 20 0 CBADRP CCOCCOCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000923286598 658193859 /nfs/dbraw/zinc/19/38/59/658193859.db2.gz PFFAYEXZMZSDSE-UHFFFAOYSA-N 2 0 259.394 -0.124 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000923287715 658194429 /nfs/dbraw/zinc/19/44/29/658194429.db2.gz FIAJSASBTKMSQH-MNOVXSKESA-N 2 0 268.361 -0.060 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000923287717 658195286 /nfs/dbraw/zinc/19/52/86/658195286.db2.gz FIAJSASBTKMSQH-QWRGUYRKSA-N 2 0 268.361 -0.060 20 0 CBADRP NC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923299414 658200035 /nfs/dbraw/zinc/20/00/35/658200035.db2.gz UNCUJVFJRSZDMK-QWRGUYRKSA-N 2 0 253.346 -0.295 20 0 CBADRP CC(C)OCCOC[C@H](O)C[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923308481 658202273 /nfs/dbraw/zinc/20/22/73/658202273.db2.gz JUTSGFQJACVGDU-CRWXNKLISA-N 2 0 290.404 -0.429 20 0 CBADRP CC(C)C[N@@H+](CC(N)=O)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923305685 658204782 /nfs/dbraw/zinc/20/47/82/658204782.db2.gz MQASVHBGQCWGLV-NSHDSACASA-N 2 0 255.362 -0.192 20 0 CBADRP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923306187 658205072 /nfs/dbraw/zinc/20/50/72/658205072.db2.gz HXLFSJWJJAQANP-QWRGUYRKSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@H](Cn3cncn3)C2)C1 ZINC000923321316 658209608 /nfs/dbraw/zinc/20/96/08/658209608.db2.gz FESUFZBDQAHSOI-CYDGBPFRSA-N 2 0 265.361 -0.159 20 0 CBADRP CCOC[C@@H](O)C[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000923331721 658214114 /nfs/dbraw/zinc/21/41/14/658214114.db2.gz FQJDQMNVWSMCKM-OLZOCXBDSA-N 2 0 285.388 -0.720 20 0 CBADRP CCOC[C@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000923347192 658223070 /nfs/dbraw/zinc/22/30/70/658223070.db2.gz ZORDHYROHYQCIK-QWHCGFSZSA-N 2 0 287.404 -0.297 20 0 CBADRP C[C@H](NC(C[NH3+])C[NH3+])C(=O)N1CCc2ccccc21 ZINC000923353645 658226432 /nfs/dbraw/zinc/22/64/32/658226432.db2.gz ZIJGRCGLWQXCGC-JTQLQIEISA-N 2 0 262.357 -0.160 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1CCC[NH2+]C1CC1 ZINC000923353174 658227194 /nfs/dbraw/zinc/22/71/94/658227194.db2.gz HNVPGSQDFAQEMN-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP COC(=O)c1ccc(OC)c(CNC(C[NH3+])C[NH3+])c1 ZINC000923357225 658229219 /nfs/dbraw/zinc/22/92/19/658229219.db2.gz UWZKLADNJHKVBL-UHFFFAOYSA-N 2 0 267.329 -0.143 20 0 CBADRP Cn1ccnc1[C@H]1C[NH2+]CCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923357113 658229494 /nfs/dbraw/zinc/22/94/94/658229494.db2.gz WMILPBXXDBRHLR-QWHCGFSZSA-N 2 0 291.399 -0.255 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000923363772 658234680 /nfs/dbraw/zinc/23/46/80/658234680.db2.gz FIRRGUBHOHRGRR-MJBXVCDLSA-N 2 0 271.405 -0.248 20 0 CBADRP C[N@H+](CCN1CCOCC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923370875 658239423 /nfs/dbraw/zinc/23/94/23/658239423.db2.gz YXBWVDNHISPOHM-CYBMUJFWSA-N 2 0 269.389 -0.371 20 0 CBADRP CCO[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C[NH3+] ZINC000923387380 658249991 /nfs/dbraw/zinc/24/99/91/658249991.db2.gz MSCMYZSHEBWTOR-FRRDWIJNSA-N 3 0 269.389 -0.340 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@H](CN3CCCC3=O)C2)C1 ZINC000923396173 658252642 /nfs/dbraw/zinc/25/26/42/658252642.db2.gz VSCCWHRVVNAGJN-VOAKCMCISA-N 2 0 267.373 -0.219 20 0 CBADRP COCCOC[C@H](O)CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000923398022 658255092 /nfs/dbraw/zinc/25/50/92/658255092.db2.gz IOZKXHZXDSAZLE-YNEHKIRRSA-N 2 0 258.362 -0.177 20 0 CBADRP COCCOC[C@H](O)CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000923398019 658256497 /nfs/dbraw/zinc/25/64/97/658256497.db2.gz IOZKXHZXDSAZLE-JHJVBQTASA-N 2 0 258.362 -0.177 20 0 CBADRP OCC[NH2+][C@@H]1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923409506 658264112 /nfs/dbraw/zinc/26/41/12/658264112.db2.gz RYQWRWKEMPOWRD-OLZOCXBDSA-N 2 0 269.389 -0.589 20 0 CBADRP CN1CC(=O)N(CC[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)C1=O ZINC000923423048 658272963 /nfs/dbraw/zinc/27/29/63/658272963.db2.gz UVICJEKGIFXQBQ-IUCAKERBSA-N 2 0 254.334 -0.404 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H](O)CSC)C2 ZINC000923428873 658274822 /nfs/dbraw/zinc/27/48/22/658274822.db2.gz MALKWYKVOSDZSP-WGBDABJCSA-N 2 0 288.413 -0.077 20 0 CBADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000923427954 658274964 /nfs/dbraw/zinc/27/49/64/658274964.db2.gz FSLNSRARIOQXNJ-NOHGZBONSA-N 2 0 272.345 -0.794 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC000923431322 658277883 /nfs/dbraw/zinc/27/78/83/658277883.db2.gz OMUOJYJMVWTUSQ-SLZITWOASA-N 3 0 294.443 -0.262 20 0 CBADRP Cn1nnnc1CC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923447469 658281925 /nfs/dbraw/zinc/28/19/25/658281925.db2.gz UGQOPVSAWGXCAO-LLVKDONJSA-N 2 0 280.376 -0.418 20 0 CBADRP CCn1nnc(C)c1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459988 658292019 /nfs/dbraw/zinc/29/20/19/658292019.db2.gz JBWFOUWWVKDHAK-UHFFFAOYSA-N 2 0 252.366 -0.399 20 0 CBADRP COC(=O)c1cncc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923461221 658293807 /nfs/dbraw/zinc/29/38/07/658293807.db2.gz UQSWDMRIUDRKLX-UHFFFAOYSA-N 2 0 278.356 -0.137 20 0 CBADRP COC[C@H](C)OC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515832 658309397 /nfs/dbraw/zinc/30/93/97/658309397.db2.gz NZXJDVSKTGEGLA-IGQOVBAYSA-N 2 0 272.389 -0.060 20 0 CBADRP C[C@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)CC[C@@H]1C[NH3+] ZINC000923502567 658312259 /nfs/dbraw/zinc/31/22/59/658312259.db2.gz BVZDGFFXRICLHJ-VHSXEESVSA-N 2 0 268.361 -0.109 20 0 CBADRP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515962 658312708 /nfs/dbraw/zinc/31/27/08/658312708.db2.gz PBVJGFGIIXVVGZ-XQQFMLRXSA-N 3 0 251.374 -0.094 20 0 CBADRP O[C@@H]1C[NH2+]C[C@H]1N(Cc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000923559717 658324117 /nfs/dbraw/zinc/32/41/17/658324117.db2.gz JTLBCJNOVQDPCY-ARFHVFGLSA-N 2 0 291.395 -0.190 20 0 CBADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)C1C[NH2+]C1 ZINC000923577551 658336004 /nfs/dbraw/zinc/33/60/04/658336004.db2.gz SJBYKEQGBCKUPO-PBINXNQUSA-N 2 0 259.375 -0.368 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCC([NH2+]CC2CC2)CC1 ZINC000923574664 658336522 /nfs/dbraw/zinc/33/65/22/658336522.db2.gz WIBLPUNXIHVFKA-UHFFFAOYSA-N 2 0 273.402 -0.248 20 0 CBADRP C[C@H]([NH3+])c1ccc(CNS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000923573637 658337479 /nfs/dbraw/zinc/33/74/79/658337479.db2.gz OYHQNVSASQDRBN-NSHDSACASA-N 2 0 298.412 -0.054 20 0 CBADRP C[C@H](CNS(=O)(=O)C1C[NH2+]C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000923589850 658340569 /nfs/dbraw/zinc/34/05/69/658340569.db2.gz MTCXKONPWYDWTQ-GHMZBOCLSA-N 2 0 275.418 -0.002 20 0 CBADRP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923610713 658349912 /nfs/dbraw/zinc/34/99/12/658349912.db2.gz WAXRGBJHAAGKMS-VXGBXAGGSA-N 2 0 273.402 -0.153 20 0 CBADRP O=S(=O)([C@H]1CCC[NH2+]C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923632834 658367482 /nfs/dbraw/zinc/36/74/82/658367482.db2.gz GWNJVIJYCVRILT-NWDGAFQWSA-N 2 0 273.402 -0.246 20 0 CBADRP O=S(=O)(NC[C@@H]1[NH2+]CCc2ccccc21)C1C[NH2+]C1 ZINC000923644604 658372437 /nfs/dbraw/zinc/37/24/37/658372437.db2.gz PASZPPFZIDFOTN-ZDUSSCGKSA-N 2 0 281.381 -0.235 20 0 CBADRP CN(C1(C[NH3+])CCC1)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923645162 658372961 /nfs/dbraw/zinc/37/29/61/658372961.db2.gz LSTFSPHKSSEHJL-SNVBAGLBSA-N 2 0 261.391 -0.119 20 0 CBADRP [NH3+][C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)C[C@H]1c1cccc(F)c1 ZINC000923645313 658374079 /nfs/dbraw/zinc/37/40/79/658374079.db2.gz FVRAAEIAWNNXNV-QWHCGFSZSA-N 2 0 299.371 -0.146 20 0 CBADRP [NH3+]CCC1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923651566 658375964 /nfs/dbraw/zinc/37/59/64/658375964.db2.gz HLXNCHDQROWKJM-UHFFFAOYSA-N 2 0 276.406 -0.803 20 0 CBADRP C[C@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)[C@H]1CC[NH3+] ZINC000923651088 658376455 /nfs/dbraw/zinc/37/64/55/658376455.db2.gz CWPOWZOAQFKXBN-RYUDHWBXSA-N 2 0 290.433 -0.414 20 0 CBADRP [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)[C@@H]1CCC[NH2+]C1)C2 ZINC000923659037 658384015 /nfs/dbraw/zinc/38/40/15/658384015.db2.gz KDYQVIMNAUKKLL-TUAOUCFPSA-N 2 0 273.402 -0.119 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC000923704364 658408447 /nfs/dbraw/zinc/40/84/47/658408447.db2.gz RXGRQXODFXOJEF-MNOVXSKESA-N 2 0 276.406 -0.947 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1COCO1 ZINC000923855014 658532646 /nfs/dbraw/zinc/53/26/46/658532646.db2.gz UNLFWKBMQYZLNW-GFCCVEGCSA-N 2 0 288.392 -0.506 20 0 CBADRP C[NH+](C)C[C@H]1NC(=O)N(C2CC[NH+](C)CC2)C1=O ZINC000924439585 658598361 /nfs/dbraw/zinc/59/83/61/658598361.db2.gz OQZQASVAXCKMQL-SNVBAGLBSA-N 2 0 254.334 -0.437 20 0 CBADRP C[NH+](C)C[C@H]1NC(=O)N(C[C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000924485683 658606908 /nfs/dbraw/zinc/60/69/08/658606908.db2.gz MIPWFKBODKXKSM-ZYHUDNBSSA-N 2 0 280.372 -0.047 20 0 CBADRP C[NH+](C)C[C@@H]1NC(=O)N(C[C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000924485681 658607302 /nfs/dbraw/zinc/60/73/02/658607302.db2.gz MIPWFKBODKXKSM-PWSUYJOCSA-N 2 0 280.372 -0.047 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000924975175 658676135 /nfs/dbraw/zinc/67/61/35/658676135.db2.gz RJZKYMUUAYRSQR-WDEREUQCSA-N 2 0 253.346 -0.737 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000924990488 658702484 /nfs/dbraw/zinc/70/24/84/658702484.db2.gz GVTKARSVFGUOBK-BZPMIXESSA-N 2 0 285.388 -0.986 20 0 CBADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2C(=O)NCC2(C)C)CC1 ZINC000925117380 658806516 /nfs/dbraw/zinc/80/65/16/658806516.db2.gz OGXUQMOFTDCATP-SNVBAGLBSA-N 2 0 255.362 -0.443 20 0 CBADRP CCO[C@@H](CN1C(=O)N[C@H](C[NH+](C)C)C1=O)C[NH+](C)C ZINC000925235618 658812638 /nfs/dbraw/zinc/81/26/38/658812638.db2.gz MTAQHEVJRLXLJX-GHMZBOCLSA-N 2 0 286.376 -0.565 20 0 CBADRP C[NH+](C)C[C@H]1NC(=O)N([C@@H]2CCC[N@H+](C)C2)C1=O ZINC000925298804 658817644 /nfs/dbraw/zinc/81/76/44/658817644.db2.gz PWJFDYMOUDLOOE-NXEZZACHSA-N 2 0 254.334 -0.437 20 0 CBADRP C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[C@@H](O)C[NH+]2C)CC[N@@H+]1C ZINC000925357666 658835572 /nfs/dbraw/zinc/83/55/72/658835572.db2.gz WYNRNWIAUNISPY-WRWGMCAJSA-N 2 0 270.377 -0.557 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NC[C@@H]1CC[NH+]1C ZINC000925415007 658841077 /nfs/dbraw/zinc/84/10/77/658841077.db2.gz QFRFYNQVAUAFDE-NSHDSACASA-N 2 0 258.366 -0.696 20 0 CBADRP C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925424825 658846694 /nfs/dbraw/zinc/84/66/94/658846694.db2.gz OFCVDIHUBHRFTC-JHJVBQTASA-N 2 0 284.404 -0.213 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)N[C@@H]1CCC[C@@H]1[NH+]1CC[C@H](O)C1 ZINC000925425122 658847058 /nfs/dbraw/zinc/84/70/58/658847058.db2.gz DFGRGQLTNFXVJO-FQUUOJAGSA-N 2 0 296.415 -0.023 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)NC[C@H]1CCC[NH+]1CCCO ZINC000925428669 658849148 /nfs/dbraw/zinc/84/91/48/658849148.db2.gz DISSLZPDOXFFTH-QWHCGFSZSA-N 2 0 284.404 -0.164 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000925429629 658850187 /nfs/dbraw/zinc/85/01/87/658850187.db2.gz PAKGPLYFHYWQJY-QWRGUYRKSA-N 2 0 256.350 -0.944 20 0 CBADRP C[C@@H](CN[C@@H]1C[NH2+]CCOC1)N1CC[NH+](C)CC1 ZINC000925496363 658856336 /nfs/dbraw/zinc/85/63/36/658856336.db2.gz QSBJAWDWVXICTJ-QWHCGFSZSA-N 2 0 256.394 -0.800 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962554962 658857133 /nfs/dbraw/zinc/85/71/33/658857133.db2.gz KUEPHWDNILKASG-NMKXLXIOSA-N 2 0 267.373 -0.491 20 0 CBADRP C[NH+]1CCC(N2CC[C@@H](N[C@@H]3C[NH2+]CCOC3)C2)CC1 ZINC000925482157 658857147 /nfs/dbraw/zinc/85/71/47/658857147.db2.gz LWMQVUXTVAVUJW-ZIAGYGMSSA-N 2 0 282.432 -0.267 20 0 CBADRP CCN1CC[NH+](C[C@@H](C)CN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925488761 658857261 /nfs/dbraw/zinc/85/72/61/658857261.db2.gz GIJKNYIOJXNERS-GJZGRUSLSA-N 2 0 284.448 -0.162 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925513564 658857279 /nfs/dbraw/zinc/85/72/79/658857279.db2.gz KBPZBPGJCIRRHH-KBPBESRZSA-N 2 0 271.405 -0.079 20 0 CBADRP CNC(=O)CN1CCC([NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925537558 658858572 /nfs/dbraw/zinc/85/85/72/658858572.db2.gz LSYKMXQRTUQIDL-LBPRGKRZSA-N 2 0 268.405 -0.073 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)N[C@@H]1C[NH2+]CCOC1 ZINC000925550281 658859136 /nfs/dbraw/zinc/85/91/36/658859136.db2.gz QIBNXNOJTDZDJJ-CHWSQXEVSA-N 2 0 256.394 -0.800 20 0 CBADRP CS(=O)(=O)CCOCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925577024 658859815 /nfs/dbraw/zinc/85/98/15/658859815.db2.gz ZSBBRRNVOILVHA-WDEREUQCSA-N 2 0 276.402 -0.093 20 0 CBADRP O[C@@H]1CCC[C@H]1[NH+]1CCC(N[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925620707 658863959 /nfs/dbraw/zinc/86/39/59/658863959.db2.gz XMWULGCPIPCDTF-RBSFLKMASA-N 2 0 283.416 -0.058 20 0 CBADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000925695687 658865691 /nfs/dbraw/zinc/86/56/91/658865691.db2.gz YDUJAYQTVZMAQI-LLVKDONJSA-N 2 0 280.376 -0.113 20 0 CBADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C1 ZINC000925694529 658866009 /nfs/dbraw/zinc/86/60/09/658866009.db2.gz UWNSWRLRFCDYGJ-VXGBXAGGSA-N 3 0 268.405 -0.086 20 0 CBADRP C[NH2+]CCOCC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925717192 658867263 /nfs/dbraw/zinc/86/72/63/658867263.db2.gz AKOCJWGTPNZXIY-FNFFVJSTSA-N 3 0 257.378 -0.436 20 0 CBADRP [NH3+]CCCOCC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925720632 658867647 /nfs/dbraw/zinc/86/76/47/658867647.db2.gz ZUEFOWDIYNFCBD-PPANGVADSA-N 3 0 257.378 -0.306 20 0 CBADRP CN1CCOC[C@@H]1C[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925719660 658867994 /nfs/dbraw/zinc/86/79/94/658867994.db2.gz ULBBHYDIDPHGKR-ZSLBOAEBSA-N 2 0 269.389 -0.341 20 0 CBADRP [NH3+]CCCOCC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925720634 658868021 /nfs/dbraw/zinc/86/80/21/658868021.db2.gz ZUEFOWDIYNFCBD-WNGYAQOMSA-N 3 0 257.378 -0.306 20 0 CBADRP c1cc(CN[C@H]2C[NH2+]CCOC2)c(O[C@H]2CC[NH2+]C2)cn1 ZINC000925729033 658869096 /nfs/dbraw/zinc/86/90/96/658869096.db2.gz OGPLEKPNICQSFX-KBPBESRZSA-N 2 0 292.383 -0.100 20 0 CBADRP C[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)C1C[NH2+]C1 ZINC000925771420 658870519 /nfs/dbraw/zinc/87/05/19/658870519.db2.gz YBNGRWSRIPDJER-HOCLYGCPSA-N 2 0 296.459 -0.020 20 0 CBADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(S(=O)(=O)N(C)C)CC1 ZINC000925773248 658870710 /nfs/dbraw/zinc/87/07/10/658870710.db2.gz BCVDVJFPOSFECU-LLVKDONJSA-N 2 0 293.433 -0.246 20 0 CBADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817429 658873048 /nfs/dbraw/zinc/87/30/48/658873048.db2.gz SDMGHVZGCUCRSX-CHWSQXEVSA-N 2 0 284.404 -0.707 20 0 CBADRP C[C@H](C[C@@H]1COCCN1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816764 658873299 /nfs/dbraw/zinc/87/32/99/658873299.db2.gz IJOKRWOCBPRWBN-TZMCWYRMSA-N 2 0 270.421 -0.234 20 0 CBADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880910 658875900 /nfs/dbraw/zinc/87/59/00/658875900.db2.gz WTYYGAVAKVHZKZ-WRWGMCAJSA-N 2 0 255.362 -0.003 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926292809 658890226 /nfs/dbraw/zinc/89/02/26/658890226.db2.gz GWENSYIQKAYHKF-NWDGAFQWSA-N 2 0 282.388 -0.783 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926301127 658891050 /nfs/dbraw/zinc/89/10/50/658891050.db2.gz XZYOOORFAJVHDG-LBPRGKRZSA-N 2 0 284.404 -0.406 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000926301054 658891215 /nfs/dbraw/zinc/89/12/15/658891215.db2.gz WJAOAPAWGLZTIZ-FRRDWIJNSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C[C@H]1[NH3+] ZINC000926311776 658892125 /nfs/dbraw/zinc/89/21/25/658892125.db2.gz GPWCBQCCVZQFTE-JHJVBQTASA-N 2 0 296.415 -0.408 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000926326677 658893225 /nfs/dbraw/zinc/89/32/25/658893225.db2.gz SPDQKTBMSOQHGZ-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cnnn1C ZINC000926747403 658913003 /nfs/dbraw/zinc/91/30/03/658913003.db2.gz AXRPUGMJHKCELG-QWRGUYRKSA-N 2 0 280.376 -0.195 20 0 CBADRP C[C@@H]1CC[N@H+](CCO)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000968549654 658931487 /nfs/dbraw/zinc/93/14/87/658931487.db2.gz VMQBPKMBGOGHRC-CHWSQXEVSA-N 2 0 281.400 -0.099 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CCO)C2)CC[N@@H+]1C ZINC000968728311 658941235 /nfs/dbraw/zinc/94/12/35/658941235.db2.gz HZWBODGWRQKHDB-IJLUTSLNSA-N 2 0 255.362 -0.491 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000927811460 658950484 /nfs/dbraw/zinc/95/04/84/658950484.db2.gz WILJRLBIJHBSSD-MWLCHTKSSA-N 2 0 287.323 -0.003 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](CCO)C1 ZINC000969411515 658986924 /nfs/dbraw/zinc/98/69/24/658986924.db2.gz MBDKOTYXQPZBIH-PWSUYJOCSA-N 2 0 255.362 -0.491 20 0 CBADRP O=C(CCn1ccnc1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969523823 658999625 /nfs/dbraw/zinc/99/96/25/658999625.db2.gz RRSKMYOQALOTMT-LLVKDONJSA-N 2 0 252.318 -0.544 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC000969588814 659005774 /nfs/dbraw/zinc/00/57/74/659005774.db2.gz UTRPUPJJVYBZKO-GMTAPVOTSA-N 2 0 268.361 -0.855 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC000969627008 659009985 /nfs/dbraw/zinc/00/99/85/659009985.db2.gz MDACAZGGPPBLMV-TUAOUCFPSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H]1[C@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)CC[N@@H+]1C ZINC000928441913 659020093 /nfs/dbraw/zinc/02/00/93/659020093.db2.gz PXQRHDWAZWZOEQ-JHJVBQTASA-N 2 0 266.389 -0.415 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000969813626 659020650 /nfs/dbraw/zinc/02/06/50/659020650.db2.gz CADJKRCMNBPMBT-DGCLKSJQSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1)[NH+]1CCCCCC1 ZINC000970172661 659037009 /nfs/dbraw/zinc/03/70/09/659037009.db2.gz RWPWQQHEGLCXEP-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000928563872 659043807 /nfs/dbraw/zinc/04/38/07/659043807.db2.gz OMSBMIPQHJJWPU-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+](C[C@H](C)O)C1 ZINC000970744495 659069148 /nfs/dbraw/zinc/06/91/48/659069148.db2.gz GDDVCQQBBQAHFJ-NWDGAFQWSA-N 2 0 281.400 -0.101 20 0 CBADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](CCO)C1 ZINC000970879353 659073498 /nfs/dbraw/zinc/07/34/98/659073498.db2.gz VTBDXHNHJFXGDK-QWRGUYRKSA-N 2 0 255.362 -0.633 20 0 CBADRP C[N@H+](CCO)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000971201081 659083736 /nfs/dbraw/zinc/08/37/36/659083736.db2.gz LJKQIVIVBBBZCX-NWDGAFQWSA-N 2 0 255.362 -0.394 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000971673549 659096082 /nfs/dbraw/zinc/09/60/82/659096082.db2.gz HHJMSWVMBIXQAN-NWDGAFQWSA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972231494 659110628 /nfs/dbraw/zinc/11/06/28/659110628.db2.gz GEYNNQWZEVVCPW-AAEUAGOBSA-N 2 0 296.415 -0.265 20 0 CBADRP OC[C@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000929284251 659112634 /nfs/dbraw/zinc/11/26/34/659112634.db2.gz RBEBGWMALLCKTQ-CYBMUJFWSA-N 2 0 258.362 -0.616 20 0 CBADRP C[C@@H](O)[C@H](O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000929951111 659187977 /nfs/dbraw/zinc/18/79/77/659187977.db2.gz ATONHIXIVMMNGB-DGCLKSJQSA-N 2 0 287.404 -0.882 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)CC[N@@H+]1C ZINC000978154269 659212449 /nfs/dbraw/zinc/21/24/49/659212449.db2.gz JZCIIPWWDWZLBS-KSTCHIGDSA-N 2 0 281.400 -0.387 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980405186 659271112 /nfs/dbraw/zinc/27/11/12/659271112.db2.gz GYNSZPIBYGGMGJ-RYUDHWBXSA-N 2 0 282.388 -0.511 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000980893887 659299964 /nfs/dbraw/zinc/29/99/64/659299964.db2.gz QNEAFWXMAVGKTM-OLZOCXBDSA-N 2 0 285.388 -0.768 20 0 CBADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)NC(N)=O)CC1 ZINC000930664161 659319252 /nfs/dbraw/zinc/31/92/52/659319252.db2.gz SFQWPGMXDKRZDS-UHFFFAOYSA-N 2 0 285.392 -0.813 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981462427 659319355 /nfs/dbraw/zinc/31/93/55/659319355.db2.gz WLMUMCKITFAAIQ-VXGBXAGGSA-N 2 0 294.399 -0.416 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[NH+](CCO)CC1 ZINC000981953218 659336839 /nfs/dbraw/zinc/33/68/39/659336839.db2.gz JNMUEWMMQGRETE-CYBMUJFWSA-N 2 0 269.389 -0.003 20 0 CBADRP C[C@@H]1[C@@H]([NH2+]CCO)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987354928 659502416 /nfs/dbraw/zinc/50/24/16/659502416.db2.gz GHCRUZKGKZXFJL-NEPJUHHUSA-N 2 0 267.373 -0.347 20 0 CBADRP C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987355476 659502677 /nfs/dbraw/zinc/50/26/77/659502677.db2.gz GPAHVJAZDKBYKG-WDEREUQCSA-N 2 0 280.372 -0.854 20 0 CBADRP C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)C[NH+]1CCCC1 ZINC000987525980 659510022 /nfs/dbraw/zinc/51/00/22/659510022.db2.gz PTKVLMXVDUPBPH-GHMZBOCLSA-N 2 0 268.361 -0.854 20 0 CBADRP C[C@H]1C[N@H+](C[C@@H](O)CO)CCN1c1cc[nH+]cc1 ZINC000931683447 659510177 /nfs/dbraw/zinc/51/01/77/659510177.db2.gz IPJMXNBENCQRCH-WCQYABFASA-N 2 0 251.330 -0.055 20 0 CBADRP C[C@@H]1C[N@H+](C[C@H](O)CO)CCN1c1cc[nH+]cc1 ZINC000931683448 659510744 /nfs/dbraw/zinc/51/07/44/659510744.db2.gz IPJMXNBENCQRCH-YPMHNXCESA-N 2 0 251.330 -0.055 20 0 CBADRP C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CC[NH+]1CCCCC1 ZINC000987570095 659511756 /nfs/dbraw/zinc/51/17/56/659511756.db2.gz KHWSJEIOBIPIOS-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000989449905 659587667 /nfs/dbraw/zinc/58/76/67/659587667.db2.gz LBIUKKFMKVOCRY-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000989449907 659588433 /nfs/dbraw/zinc/58/84/33/659588433.db2.gz LBIUKKFMKVOCRY-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP Cn1nnc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000932262359 659589003 /nfs/dbraw/zinc/58/90/03/659589003.db2.gz UYCROTBBGHGNPY-UHFFFAOYSA-N 2 0 284.368 -0.833 20 0 CBADRP C[C@H](O)C[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989669679 659606797 /nfs/dbraw/zinc/60/67/97/659606797.db2.gz GJJKZRQJWGMKIO-ZDUSSCGKSA-N 2 0 269.389 -0.003 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CCO)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989681578 659608360 /nfs/dbraw/zinc/60/83/60/659608360.db2.gz DLFQWWFNYZGBDZ-VXGBXAGGSA-N 2 0 267.373 -0.347 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CC[NH+]1CCCCC1 ZINC000989829706 659616316 /nfs/dbraw/zinc/61/63/16/659616316.db2.gz VGSWWFXJDQEHCO-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000990275944 659710886 /nfs/dbraw/zinc/71/08/86/659710886.db2.gz FNYUMRKERIDVJK-OLZOCXBDSA-N 2 0 294.399 -0.450 20 0 CBADRP COC(=O)CNC(=O)CC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933743034 659736382 /nfs/dbraw/zinc/73/63/82/659736382.db2.gz UWYRTRVTFSYDDC-SMDDNHRTSA-N 2 0 283.372 -0.451 20 0 CBADRP CCN(C)C[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933754513 659736617 /nfs/dbraw/zinc/73/66/17/659736617.db2.gz CHUALOKLRDSDQS-SCRDCRAPSA-N 2 0 269.389 -0.114 20 0 CBADRP CN1CCN(C[C@@H](O)C[NH+]2CCCC2)CC[N@H+](C)CC1 ZINC000933998571 659757006 /nfs/dbraw/zinc/75/70/06/659757006.db2.gz JXVFXNCYBHFMLL-HNNXBMFYSA-N 2 0 284.448 -0.378 20 0 CBADRP C[NH+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000991710327 659841830 /nfs/dbraw/zinc/84/18/30/659841830.db2.gz MNGJDSXYCDLZFU-DGCLKSJQSA-N 2 0 294.399 -0.641 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC000991749276 659844229 /nfs/dbraw/zinc/84/42/29/659844229.db2.gz QMJJTUIEUZLBRM-ZDUSSCGKSA-N 2 0 294.399 -0.497 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC000991750956 659844288 /nfs/dbraw/zinc/84/42/88/659844288.db2.gz XTNISGKNKZGNJK-LBPRGKRZSA-N 2 0 294.399 -0.639 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000995551469 659901905 /nfs/dbraw/zinc/90/19/05/659901905.db2.gz NEQYWHPDPBPILM-GHMZBOCLSA-N 2 0 282.388 -0.608 20 0 CBADRP CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1)[NH+](C)C ZINC000995929970 659920605 /nfs/dbraw/zinc/92/06/05/659920605.db2.gz XVHQGEWXAGZKOP-AAEUAGOBSA-N 2 0 298.431 -0.116 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000995986586 659921413 /nfs/dbraw/zinc/92/14/13/659921413.db2.gz YXWDXHDIFHWHQU-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP c1nc(N2CCN3CC[NH2+]C[C@H]3C2)nc2c1C[NH2+]CC2 ZINC001164393311 718830669 /nfs/dbraw/zinc/83/06/69/718830669.db2.gz ULWOZZUNZSPOAQ-LBPRGKRZSA-N 2 0 274.372 -0.784 20 0 CBADRP c1nc2c(c(N3CCN4CC[NH2+]C[C@H]4C3)n1)CC[NH2+]C2 ZINC001164391931 718831176 /nfs/dbraw/zinc/83/11/76/718831176.db2.gz MLRWGOGTKYMFHD-NSHDSACASA-N 2 0 274.372 -0.784 20 0 CBADRP c1nc2c(c(N3CCN4CC[NH2+]C[C@@H]4C3)n1)CC[NH2+]C2 ZINC001164391919 718831232 /nfs/dbraw/zinc/83/12/32/718831232.db2.gz MLRWGOGTKYMFHD-LLVKDONJSA-N 2 0 274.372 -0.784 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC001076569056 805580274 /nfs/dbraw/zinc/58/02/74/805580274.db2.gz ICJOFLJVXXKJLU-MELADBBJSA-N 2 0 281.400 -0.147 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000063124114 790341672 /nfs/dbraw/zinc/34/16/72/790341672.db2.gz NDWBXWIUUWBENJ-RYUDHWBXSA-N 2 0 255.362 -0.491 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000089699259 790369921 /nfs/dbraw/zinc/36/99/21/790369921.db2.gz DATXBQLJUKALEN-JTQLQIEISA-N 2 0 266.349 -0.692 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000091310429 790371755 /nfs/dbraw/zinc/37/17/55/790371755.db2.gz FWRWRIHJSKCVKZ-ZDUSSCGKSA-N 2 0 284.404 -0.881 20 0 CBADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1CCN(CCO)CC1 ZINC000136804963 790394649 /nfs/dbraw/zinc/39/46/49/790394649.db2.gz AZBIWJXYIZSKLJ-LLVKDONJSA-N 2 0 257.378 -0.114 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C[C@H](O)C[NH+]2CCCC2)CCO1 ZINC000381188947 790519221 /nfs/dbraw/zinc/51/92/21/790519221.db2.gz WMCAHHXMOKGCAZ-YNEHKIRRSA-N 2 0 257.378 -0.509 20 0 CBADRP CNC(=O)CN1CCC(NC(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000383508002 790528790 /nfs/dbraw/zinc/52/87/90/790528790.db2.gz CQNHFWZBIKKYIB-GFCCVEGCSA-N 2 0 282.388 -0.560 20 0 CBADRP CN(C)S(=O)(=O)CC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000385207882 790539308 /nfs/dbraw/zinc/53/93/08/790539308.db2.gz WYZAYSUNLLSOPM-UHFFFAOYSA-N 2 0 275.418 -0.047 20 0 CBADRP C[NH2+]C1CCN(C[C@H](O)C[N@H+](C)CCOC)CC1 ZINC000385251257 790539380 /nfs/dbraw/zinc/53/93/80/790539380.db2.gz QYQVJUJGQGTKJA-CYBMUJFWSA-N 2 0 259.394 -0.391 20 0 CBADRP CO[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)C[C@@H]1OC ZINC000385345524 790539661 /nfs/dbraw/zinc/53/96/61/790539661.db2.gz CMEDHMQWXCCWIR-UPJWGTAASA-N 2 0 258.362 -0.211 20 0 CBADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000386227997 790545042 /nfs/dbraw/zinc/54/50/42/790545042.db2.gz PJWXITSTWATDHB-MNOVXSKESA-N 2 0 276.406 -0.839 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](CCO)C2)C1 ZINC000386282326 790546472 /nfs/dbraw/zinc/54/64/72/790546472.db2.gz FUFAORJZJPQTMO-VXGBXAGGSA-N 2 0 255.362 -0.489 20 0 CBADRP CCN(C[C@@H](O)C[N@H+](C)CCOC)[C@@H]1CC[NH2+]C1 ZINC000386479996 790547398 /nfs/dbraw/zinc/54/73/98/790547398.db2.gz VXAUFNSPTZRPPM-OLZOCXBDSA-N 2 0 259.394 -0.391 20 0 CBADRP COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000388803352 790558398 /nfs/dbraw/zinc/55/83/98/790558398.db2.gz UJOPYUMRQUJQOS-ZIAGYGMSSA-N 2 0 273.421 -0.014 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000388877077 790559537 /nfs/dbraw/zinc/55/95/37/790559537.db2.gz RRDXHTRPCITSCI-MCIONIFRSA-N 3 0 273.421 -0.158 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000388939272 790562083 /nfs/dbraw/zinc/56/20/83/790562083.db2.gz YFMNPMUGFQCHAX-RDBSUJKOSA-N 2 0 273.421 -0.015 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000394133479 790576558 /nfs/dbraw/zinc/57/65/58/790576558.db2.gz OHPSKJUUHDHSKJ-OLZOCXBDSA-N 2 0 259.394 -0.404 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394393514 790577540 /nfs/dbraw/zinc/57/75/40/790577540.db2.gz ZKGGVFWFIHGNCU-WCQYABFASA-N 2 0 266.389 -0.367 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000395491569 790579840 /nfs/dbraw/zinc/57/98/40/790579840.db2.gz YYSLKMDFNFCEBW-UPJWGTAASA-N 2 0 257.378 -0.781 20 0 CBADRP OC[C@@H](O)C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397488940 790591640 /nfs/dbraw/zinc/59/16/40/790591640.db2.gz GJHGORHQZJEKNO-HNNXBMFYSA-N 2 0 294.395 -0.044 20 0 CBADRP [NH3+]C1(CC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000398084081 790594581 /nfs/dbraw/zinc/59/45/81/790594581.db2.gz PCKFHAFEJAJEBN-QWRGUYRKSA-N 2 0 253.346 -0.153 20 0 CBADRP CC[NH+]1CCC(N(C)S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000405084971 790613581 /nfs/dbraw/zinc/61/35/81/790613581.db2.gz CKSMYZDLJPIKMH-UHFFFAOYSA-N 2 0 261.391 -0.296 20 0 CBADRP C[N@H+](CCN1CCOC1=O)CCN1CC[NH2+]CC1 ZINC000403247468 790614412 /nfs/dbraw/zinc/61/44/12/790614412.db2.gz GWWBGXAEWSUEIL-UHFFFAOYSA-N 2 0 256.350 -0.724 20 0 CBADRP CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000696231087 790689471 /nfs/dbraw/zinc/68/94/71/790689471.db2.gz XXLDHUJAQGTPCF-NEPJUHHUSA-N 2 0 276.402 -0.270 20 0 CBADRP Cn1ncc(Br)c1CNC(C[NH3+])C[NH3+] ZINC000695354155 790689740 /nfs/dbraw/zinc/68/97/40/790689740.db2.gz CBQNOCQMSPLMLY-UHFFFAOYSA-N 2 0 262.155 -0.442 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702260582 790721821 /nfs/dbraw/zinc/72/18/21/790721821.db2.gz PWEINQASAPNHFU-OCCSQVGLSA-N 2 0 266.389 -0.698 20 0 CBADRP C[NH+]1CCC(O)(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000715872561 790751844 /nfs/dbraw/zinc/75/18/44/790751844.db2.gz WRWXUGHOARIYQY-UHFFFAOYSA-N 2 0 267.373 -0.345 20 0 CBADRP O=C(NCCO)C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000711886751 790747693 /nfs/dbraw/zinc/74/76/93/790747693.db2.gz KMXNVCRLETXXRM-LLVKDONJSA-N 2 0 255.362 -0.584 20 0 CBADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)N1CCNCC1=O ZINC000719445622 790760309 /nfs/dbraw/zinc/76/03/09/790760309.db2.gz VZLRTPPFQLSVSW-OUAUKWLOSA-N 2 0 268.361 -0.985 20 0 CBADRP C[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000720416457 790764651 /nfs/dbraw/zinc/76/46/51/790764651.db2.gz PXQUFZRTZLFCDC-GFCCVEGCSA-N 2 0 255.362 -0.081 20 0 CBADRP CO[C@]1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCS(=O)(=O)C1 ZINC000721172709 790778797 /nfs/dbraw/zinc/77/87/97/790778797.db2.gz HRJHVMREELGRPL-WOPDTQHZSA-N 2 0 276.402 -0.093 20 0 CBADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000720905580 790774176 /nfs/dbraw/zinc/77/41/76/790774176.db2.gz DJTAGSOKGNHCDT-WHOHXGKFSA-N 2 0 253.346 -0.202 20 0 CBADRP O=S(=O)(CCNC1CC[NH2+]CC1)N1CCCC1 ZINC000721977671 790785048 /nfs/dbraw/zinc/78/50/48/790785048.db2.gz FAODQWDFVRPPCH-UHFFFAOYSA-N 2 0 261.391 -0.246 20 0 CBADRP CC1CC[NH+](CCCNS(=O)(=O)CC[NH3+])CC1 ZINC000722218981 790790142 /nfs/dbraw/zinc/79/01/42/790790142.db2.gz IRUQVGSCEOEWBJ-UHFFFAOYSA-N 2 0 263.407 -0.014 20 0 CBADRP CN1C[C@@H](CC[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1=O ZINC000723370908 790800765 /nfs/dbraw/zinc/80/07/65/790800765.db2.gz NWDVECUFXGXIQR-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP COCCN(C)C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723921035 790801184 /nfs/dbraw/zinc/80/11/84/790801184.db2.gz CWPVITWTAPTKNZ-MGPQQGTHSA-N 2 0 273.421 -0.158 20 0 CBADRP O[C@@H](C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)C[NH+]1CCCC1 ZINC000724591328 790807623 /nfs/dbraw/zinc/80/76/23/790807623.db2.gz NURSQLVNKJCINB-RQJABVFESA-N 2 0 270.373 -0.163 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000822123805 790832413 /nfs/dbraw/zinc/83/24/13/790832413.db2.gz FMATYRMMVBNEFM-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000822126693 790833928 /nfs/dbraw/zinc/83/39/28/790833928.db2.gz BLOITLFBFHAINX-UONOGXRCSA-N 2 0 271.405 -0.247 20 0 CBADRP C[NH+](C)CCCN[C@@H]1C(=O)NCC12CCOCC2 ZINC000823692389 790847751 /nfs/dbraw/zinc/84/77/51/790847751.db2.gz VJHFJJXZKMENJI-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866821825 790902231 /nfs/dbraw/zinc/90/22/31/790902231.db2.gz AVYOMYJPIOFEDX-QJPTWQEYSA-N 2 0 289.401 -0.869 20 0 CBADRP C[NH+](C)C1CC(NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000908011199 790912818 /nfs/dbraw/zinc/91/28/18/790912818.db2.gz COEVPMVXBFWLHK-FFJHZOIPSA-N 2 0 255.362 -0.350 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC000923525279 790923294 /nfs/dbraw/zinc/92/32/94/790923294.db2.gz DQSLMGZDYNHDBO-WCQYABFASA-N 2 0 271.361 -0.223 20 0 CBADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)CC1 ZINC001020679435 790939610 /nfs/dbraw/zinc/93/96/10/790939610.db2.gz QLIYKTXVBWCWAL-JOCQHMNTSA-N 2 0 269.389 -0.053 20 0 CBADRP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001021898329 790965483 /nfs/dbraw/zinc/96/54/83/790965483.db2.gz XAHLKCSCZXKUGG-NTZNESFSSA-N 2 0 292.387 -0.354 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001021906427 790968695 /nfs/dbraw/zinc/96/86/95/790968695.db2.gz NVQHFIYDRUVWJG-ZNSHCXBVSA-N 2 0 268.361 -0.809 20 0 CBADRP Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001021896449 790966070 /nfs/dbraw/zinc/96/60/70/790966070.db2.gz ZUCGNRIHGFBDDS-GRYCIOLGSA-N 2 0 292.387 -0.354 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001021906786 790969061 /nfs/dbraw/zinc/96/90/61/790969061.db2.gz YIASNRMYFQTLLX-YFKTTZPYSA-N 2 0 255.362 -0.302 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001022277473 791001824 /nfs/dbraw/zinc/00/18/24/791001824.db2.gz ANVGSNPIDCSWSI-XQHKEYJVSA-N 2 0 294.399 -0.275 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001022292692 791001988 /nfs/dbraw/zinc/00/19/88/791001988.db2.gz PQZHVYBWOURILT-RNJOBUHISA-N 2 0 294.399 -0.404 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001022291921 791002703 /nfs/dbraw/zinc/00/27/03/791002703.db2.gz IAOIWVBUCNDQOB-QNWHQSFQSA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)C(N)=O ZINC001022534427 791020630 /nfs/dbraw/zinc/02/06/30/791020630.db2.gz VEYKLWJFEUETCN-SDDRHHMPSA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001022716484 791040942 /nfs/dbraw/zinc/04/09/42/791040942.db2.gz XTMUOYFIAFKVPT-NDBYEHHHSA-N 2 0 294.399 -0.547 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1)C(N)=O ZINC001022713744 791041221 /nfs/dbraw/zinc/04/12/21/791041221.db2.gz MBXMKESTYLXVPD-NDBYEHHHSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1)C(N)=O ZINC001022717466 791043297 /nfs/dbraw/zinc/04/32/97/791043297.db2.gz XTYPKVKXJLJPPX-SDDRHHMPSA-N 2 0 296.415 -0.171 20 0 CBADRP O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077007526 805670455 /nfs/dbraw/zinc/67/04/55/805670455.db2.gz QFHXJYWJNASPOP-RBSFLKMASA-N 2 0 293.411 -0.101 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)CC[N@@H+]1C ZINC001077028481 805673200 /nfs/dbraw/zinc/67/32/00/805673200.db2.gz FKKQFKIGMVEWPE-REWJHTLYSA-N 2 0 299.415 -0.740 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOC)C[C@H]2O)CC[N@@H+]1C ZINC001077027135 805674283 /nfs/dbraw/zinc/67/42/83/805674283.db2.gz CYOGGFYGKLZUBP-REWJHTLYSA-N 2 0 299.415 -0.476 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001077090887 805683027 /nfs/dbraw/zinc/68/30/27/805683027.db2.gz DLFUTCGHDJROGT-HZSPNIEDSA-N 2 0 299.415 -0.596 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001077132388 805688821 /nfs/dbraw/zinc/68/88/21/805688821.db2.gz WOPJQJLQAQYHRQ-MGPQQGTHSA-N 2 0 299.415 -0.597 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001077132387 805689217 /nfs/dbraw/zinc/68/92/17/805689217.db2.gz WOPJQJLQAQYHRQ-BFHYXJOUSA-N 2 0 299.415 -0.597 20 0 CBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@H]1C[C@]12CCOC2 ZINC001147892081 814924467 /nfs/dbraw/zinc/92/44/67/814924467.db2.gz HWRRGJSIWNHTJF-HIFRSBDPSA-N 2 0 299.415 -0.303 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCO)C[C@H]2C)C1 ZINC001080449508 805985718 /nfs/dbraw/zinc/98/57/18/805985718.db2.gz NQMSWGCTOORJFI-JHJVBQTASA-N 2 0 269.389 -0.243 20 0 CBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977228 814927747 /nfs/dbraw/zinc/92/77/47/814927747.db2.gz NCGSTHMIETWQFV-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H](O)CCC[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977399 814927807 /nfs/dbraw/zinc/92/78/07/814927807.db2.gz RCNCDKGPMDDSGR-GFCCVEGCSA-N 2 0 269.389 -0.051 20 0 CBADRP CO[C@@H]1CN(CCO)C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001082132940 806148732 /nfs/dbraw/zinc/14/87/32/806148732.db2.gz YWYQNGRXHIEZQZ-JHJVBQTASA-N 2 0 285.388 -0.864 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001082544566 806185957 /nfs/dbraw/zinc/18/59/57/806185957.db2.gz IVSHSIIQBNZASX-JHJVBQTASA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001082575184 806186413 /nfs/dbraw/zinc/18/64/13/806186413.db2.gz PRFGIYYQQRFCGR-WZRBSPASSA-N 2 0 284.404 -0.506 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(N)=O ZINC001082559315 806186437 /nfs/dbraw/zinc/18/64/37/806186437.db2.gz AYYFFINQLPHDNU-XWIASGKRSA-N 2 0 282.388 -0.752 20 0 CBADRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CCO ZINC001082742868 806193734 /nfs/dbraw/zinc/19/37/34/806193734.db2.gz VBAMWCRYOVCRSG-YNEHKIRRSA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCO ZINC001082861704 806196855 /nfs/dbraw/zinc/19/68/55/806196855.db2.gz LYEOXQZSTXACNQ-JHJVBQTASA-N 2 0 269.389 -0.243 20 0 CBADRP O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083465752 806335684 /nfs/dbraw/zinc/33/56/84/806335684.db2.gz QFHXJYWJNASPOP-KFWWJZLASA-N 2 0 293.411 -0.101 20 0 CBADRP O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083465753 806336222 /nfs/dbraw/zinc/33/62/22/806336222.db2.gz QFHXJYWJNASPOP-ZNMIVQPWSA-N 2 0 293.411 -0.101 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOC)C[C@@H]2O)CC[N@@H+]1C ZINC001083473904 806336575 /nfs/dbraw/zinc/33/65/75/806336575.db2.gz CYOGGFYGKLZUBP-DGAVXFQQSA-N 2 0 299.415 -0.476 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2O)C1 ZINC001083780632 806431155 /nfs/dbraw/zinc/43/11/55/806431155.db2.gz FIIUKQKOWJCFOW-BNOWGMLFSA-N 2 0 281.400 -0.101 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778963 806431184 /nfs/dbraw/zinc/43/11/84/806431184.db2.gz FDCFXRPEPBAKAA-TUAOUCFPSA-N 2 0 255.362 -0.348 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001083779325 806432331 /nfs/dbraw/zinc/43/23/31/806432331.db2.gz WPOMACMLOBNKPT-UPJWGTAASA-N 2 0 285.388 -0.986 20 0 CBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084347366 806516057 /nfs/dbraw/zinc/51/60/57/806516057.db2.gz OJIKZFDFBUWSAQ-QLFBSQMISA-N 2 0 293.411 -0.147 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21)C1CC1 ZINC001084407400 806516486 /nfs/dbraw/zinc/51/64/86/806516486.db2.gz VDBROBTZXDBQNX-MGPQQGTHSA-N 2 0 281.400 -0.148 20 0 CBADRP CC[C@H](C(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21)[NH+](C)C ZINC001084448979 806519629 /nfs/dbraw/zinc/51/96/29/806519629.db2.gz NGGWZQNZHJSUQB-JHJVBQTASA-N 2 0 269.389 -0.148 20 0 CBADRP CNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084830377 806538405 /nfs/dbraw/zinc/53/84/05/806538405.db2.gz TYJSXVISCXUWAX-JHJVBQTASA-N 2 0 294.399 -0.783 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085245401 806550350 /nfs/dbraw/zinc/55/03/50/806550350.db2.gz WERLLYJGXKKFSN-JHJVBQTASA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)C1 ZINC001085333056 806552934 /nfs/dbraw/zinc/55/29/34/806552934.db2.gz XNELCXZGWJLRKT-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1)C(N)=O ZINC001085421345 806555503 /nfs/dbraw/zinc/55/55/03/806555503.db2.gz AABZSEDTIFMJEU-JHJVBQTASA-N 2 0 296.415 -0.027 20 0 CBADRP CN(C[C@@H]1CC[N@@H+]1CCCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001085519777 806571052 /nfs/dbraw/zinc/57/10/52/806571052.db2.gz XIZSEPQKJZRCQV-STQMWFEESA-N 2 0 269.389 -0.004 20 0 CBADRP CN(C[C@H]1CC[N@@H+]1CCCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001085519775 806571606 /nfs/dbraw/zinc/57/16/06/806571606.db2.gz XIZSEPQKJZRCQV-OLZOCXBDSA-N 2 0 269.389 -0.004 20 0 CBADRP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001085928142 806625612 /nfs/dbraw/zinc/62/56/12/806625612.db2.gz PHMMXIPYSLXLRZ-LBPRGKRZSA-N 2 0 267.373 -0.393 20 0 CBADRP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085972964 806627352 /nfs/dbraw/zinc/62/73/52/806627352.db2.gz LSFCJXLINIARRO-NEPJUHHUSA-N 2 0 255.362 -0.537 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001086047523 806639027 /nfs/dbraw/zinc/63/90/27/806639027.db2.gz TTYQTFBAADPRSV-YVECIDJPSA-N 2 0 296.415 -0.171 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001086047522 806639172 /nfs/dbraw/zinc/63/91/72/806639172.db2.gz TTYQTFBAADPRSV-XQHKEYJVSA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC001022921912 798867954 /nfs/dbraw/zinc/86/79/54/798867954.db2.gz TZAFHPKVEVRNJG-BETUJISGSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001022975868 798870999 /nfs/dbraw/zinc/87/09/99/798870999.db2.gz VYCJSWIYMWPGRM-XQHKEYJVSA-N 2 0 269.389 -0.054 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001022976640 798871817 /nfs/dbraw/zinc/87/18/17/798871817.db2.gz CMZLSADQFOBLER-WUHRBBMRSA-N 2 0 296.415 -0.171 20 0 CBADRP O=C(N[C@@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001022981410 798871850 /nfs/dbraw/zinc/87/18/50/798871850.db2.gz NTKOCYJYSVEYIM-GRYCIOLGSA-N 2 0 292.383 -0.793 20 0 CBADRP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001023083847 798879493 /nfs/dbraw/zinc/87/94/93/798879493.db2.gz BLIVNTZFCLPURV-SDDRHHMPSA-N 2 0 292.387 -0.496 20 0 CBADRP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)nn1 ZINC001023089020 798881221 /nfs/dbraw/zinc/88/12/21/798881221.db2.gz VFYAIRYTVUWHPW-TXEJJXNPSA-N 2 0 292.387 -0.352 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001023090298 798881645 /nfs/dbraw/zinc/88/16/45/798881645.db2.gz MSERBBFUTJBEBA-GRYCIOLGSA-N 2 0 282.388 -0.417 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001023744099 798919393 /nfs/dbraw/zinc/91/93/93/798919393.db2.gz INKWJDCYODRQPL-OLZOCXBDSA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001025708147 798972403 /nfs/dbraw/zinc/97/24/03/798972403.db2.gz KSYIMZJCEMKJAQ-BNDIWNMDSA-N 2 0 267.373 -0.492 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001025708149 798972457 /nfs/dbraw/zinc/97/24/57/798972457.db2.gz KSYIMZJCEMKJAQ-KIJLLGNVSA-N 2 0 267.373 -0.492 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC001026045792 798987866 /nfs/dbraw/zinc/98/78/66/798987866.db2.gz JNJAGHGFSXUPCX-OBPIAQAESA-N 2 0 267.373 -0.777 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001026043506 798987987 /nfs/dbraw/zinc/98/79/87/798987987.db2.gz FXQFLAHNZDWFFF-XOBFJNJYSA-N 2 0 281.400 -0.245 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]CC(N)=O)CC2)C1 ZINC001026605587 799011104 /nfs/dbraw/zinc/01/11/04/799011104.db2.gz USFUZOJYHULCEW-VOMCLLRMSA-N 2 0 282.388 -0.560 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC2CCC([NH2+]CCO)CC2)C1 ZINC001026605420 799011298 /nfs/dbraw/zinc/01/12/98/799011298.db2.gz OSCNWGXKBCIEPN-HIFPTAJRSA-N 2 0 269.389 -0.053 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC2CCC([NH2+]CC(N)=O)CC2)C1 ZINC001026605586 799011767 /nfs/dbraw/zinc/01/17/67/799011767.db2.gz USFUZOJYHULCEW-UNXYVOJBSA-N 2 0 282.388 -0.560 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCO ZINC001027789322 799079883 /nfs/dbraw/zinc/07/98/83/799079883.db2.gz HFHKRHFDPUJYFW-RYUDHWBXSA-N 2 0 255.362 -0.347 20 0 CBADRP O=C(NC[C@H]1CCC[N@H+]1CCO)C12CC[NH+](CC1)C2 ZINC001028267684 799119466 /nfs/dbraw/zinc/11/94/66/799119466.db2.gz LLXCJWPSZHNVLW-GFCCVEGCSA-N 2 0 267.373 -0.345 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCCO)C1 ZINC001028445354 799137913 /nfs/dbraw/zinc/13/79/13/799137913.db2.gz ODKGKQQRPOXGHR-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001028447248 799138024 /nfs/dbraw/zinc/13/80/24/799138024.db2.gz NZGKEAXNPBIPHA-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP NC(=O)C[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028659893 799158975 /nfs/dbraw/zinc/15/89/75/799158975.db2.gz ZQJXXRLZOQFMNP-GFCCVEGCSA-N 2 0 294.399 -0.462 20 0 CBADRP CNC(=O)[C@H](C)N1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031585438 799513608 /nfs/dbraw/zinc/51/36/08/799513608.db2.gz XQPVSLHIWRLDCY-JQWIXIFHSA-N 2 0 282.388 -0.737 20 0 CBADRP C[C@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031585193 799513660 /nfs/dbraw/zinc/51/36/60/799513660.db2.gz RTXOZECDOACLPH-JQWIXIFHSA-N 2 0 255.362 -0.491 20 0 CBADRP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001031675863 799532072 /nfs/dbraw/zinc/53/20/72/799532072.db2.gz UQTWRYICDXQRPP-BXUZGUMPSA-N 2 0 281.400 -0.243 20 0 CBADRP O=C(NCC1C[NH+](CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031674856 799532097 /nfs/dbraw/zinc/53/20/97/799532097.db2.gz QQDOKOPJPDQRDO-ZDUSSCGKSA-N 2 0 267.373 -0.632 20 0 CBADRP C[C@H](O)C[NH+]1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001031675864 799532191 /nfs/dbraw/zinc/53/21/91/799532191.db2.gz UQTWRYICDXQRPP-FZMZJTMJSA-N 2 0 281.400 -0.243 20 0 CBADRP COCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031688243 799533372 /nfs/dbraw/zinc/53/33/72/799533372.db2.gz BGEFXVMLQLSOLD-KBPBESRZSA-N 2 0 297.399 -0.456 20 0 CBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCO)C2)C1 ZINC001031923174 799562257 /nfs/dbraw/zinc/56/22/57/799562257.db2.gz VKHKYCYEXBCGHI-CYBMUJFWSA-N 2 0 285.388 -0.864 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCCO)C1 ZINC001031977171 799568362 /nfs/dbraw/zinc/56/83/62/799568362.db2.gz XSYBWLUACGOJAI-YPMHNXCESA-N 2 0 269.389 -0.386 20 0 CBADRP O=C(NCC1C[NH+](CCCO)C1)C12CC[NH+](CC1)C2 ZINC001032131577 799585413 /nfs/dbraw/zinc/58/54/13/799585413.db2.gz NKCIGBNCGCQYFR-UHFFFAOYSA-N 2 0 267.373 -0.487 20 0 CBADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCCO)C1 ZINC001032958879 799696766 /nfs/dbraw/zinc/69/67/66/799696766.db2.gz BWRBKBOFULOVPP-CHWSQXEVSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CC[NH+](CCO)C1 ZINC001033421677 799752324 /nfs/dbraw/zinc/75/23/24/799752324.db2.gz DJYPTKQPXZRKJI-STQMWFEESA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033596445 799771729 /nfs/dbraw/zinc/77/17/29/799771729.db2.gz ZSXKFKXUUCDXRI-CHWSQXEVSA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033596477 799772316 /nfs/dbraw/zinc/77/23/16/799772316.db2.gz ZSXKFKXUUCDXRI-STQMWFEESA-N 2 0 281.400 -0.004 20 0 CBADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCCO)C1 ZINC001033660063 799778114 /nfs/dbraw/zinc/77/81/14/799778114.db2.gz HCQDLXUZGJEKII-STQMWFEESA-N 2 0 269.389 -0.147 20 0 CBADRP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033666067 799778812 /nfs/dbraw/zinc/77/88/12/799778812.db2.gz UHVFNQUEXJYKSB-GFCCVEGCSA-N 2 0 255.362 -0.393 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001035052899 799866819 /nfs/dbraw/zinc/86/68/19/799866819.db2.gz XVPLHOFMRATVDP-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1[NH2+]CC(N)=O ZINC001036054479 799974925 /nfs/dbraw/zinc/97/49/25/799974925.db2.gz KUOUTRNZUHQEPI-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036301007 799986875 /nfs/dbraw/zinc/98/68/75/799986875.db2.gz WNBWGKQFQUXEDO-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP O=C(N1CC[C@H]2[C@@H](CC[N@H+]2CCO)C1)C12CC[NH+](CC1)C2 ZINC001036871691 800011642 /nfs/dbraw/zinc/01/16/42/800011642.db2.gz OSXJLBZJOWNLPR-KBPBESRZSA-N 2 0 293.411 -0.003 20 0 CBADRP O=C(N1CC[C@@H]2[C@@H](CC[N@H+]2CCO)C1)C12CC[NH+](CC1)C2 ZINC001036871693 800011962 /nfs/dbraw/zinc/01/19/62/800011962.db2.gz OSXJLBZJOWNLPR-UONOGXRCSA-N 2 0 293.411 -0.003 20 0 CBADRP CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037977504 800026556 /nfs/dbraw/zinc/02/65/56/800026556.db2.gz HYNYNOLGXBIZJG-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CC(N)=O ZINC001037977506 800027325 /nfs/dbraw/zinc/02/73/25/800027325.db2.gz HYNYNOLGXBIZJG-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP CN1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CC2CC2)C1 ZINC001038138310 800060721 /nfs/dbraw/zinc/06/07/21/800060721.db2.gz VFEILFMVRAMKCS-QWHCGFSZSA-N 2 0 267.373 -0.083 20 0 CBADRP C[C@@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001045639646 801708529 /nfs/dbraw/zinc/70/85/29/801708529.db2.gz ONHQRPKDPHFFKR-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@H+](CCO)C1 ZINC001046777047 801793346 /nfs/dbraw/zinc/79/33/46/801793346.db2.gz PLUJGMMRMKWJAP-CYBMUJFWSA-N 2 0 267.373 -0.345 20 0 CBADRP C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@H+](CCO)C1 ZINC001046777048 801793537 /nfs/dbraw/zinc/79/35/37/801793537.db2.gz PLUJGMMRMKWJAP-ZDUSSCGKSA-N 2 0 267.373 -0.345 20 0 CBADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001047324696 801833162 /nfs/dbraw/zinc/83/31/62/801833162.db2.gz UVVWPWPPIXFXQS-IHRRRGAJSA-N 2 0 281.400 -0.006 20 0 CBADRP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001047383751 801857769 /nfs/dbraw/zinc/85/77/69/801857769.db2.gz ORPZMHDABRUMRM-RDBSUJKOSA-N 2 0 281.400 -0.148 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001047527310 801893177 /nfs/dbraw/zinc/89/31/77/801893177.db2.gz BWWCHGZBHPZSGM-RDBSUJKOSA-N 2 0 299.415 -0.786 20 0 CBADRP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001047528726 801894608 /nfs/dbraw/zinc/89/46/08/801894608.db2.gz YWIQAZRLJGOSCQ-AVGNSLFASA-N 2 0 269.389 -0.148 20 0 CBADRP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047597829 801908380 /nfs/dbraw/zinc/90/83/80/801908380.db2.gz HQFUPCUVOJIFAZ-RDBSUJKOSA-N 2 0 299.415 -0.786 20 0 CBADRP CC(C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001047629157 801914052 /nfs/dbraw/zinc/91/40/52/801914052.db2.gz RZFSNMCABFFTGS-AVGNSLFASA-N 2 0 269.389 -0.150 20 0 CBADRP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1)[NH+](C)C ZINC001048875818 801975804 /nfs/dbraw/zinc/97/58/04/801975804.db2.gz OVVUVJNRIYZBDG-SCRDCRAPSA-N 2 0 296.415 -0.552 20 0 CBADRP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1)[NH+](C)C ZINC001049039131 801993931 /nfs/dbraw/zinc/99/39/31/801993931.db2.gz OVVUVJNRIYZBDG-MBNYWOFBSA-N 2 0 296.415 -0.552 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1 ZINC001049058397 801994624 /nfs/dbraw/zinc/99/46/24/801994624.db2.gz XVDRYRIJULPRFV-RWMBFGLXSA-N 2 0 294.399 -0.654 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049059486 801996425 /nfs/dbraw/zinc/99/64/25/801996425.db2.gz RHPCUZJGIKGWNY-UPJWGTAASA-N 2 0 294.399 -0.796 20 0 CBADRP C[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049212588 802005360 /nfs/dbraw/zinc/00/53/60/802005360.db2.gz CLBXVPKQTLGLDD-LPWJVIDDSA-N 2 0 294.399 -0.798 20 0 CBADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001049214975 802007844 /nfs/dbraw/zinc/00/78/44/802007844.db2.gz DVVFVVWJDYHJOL-OKILXGFUSA-N 2 0 281.400 -0.145 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCO)C1 ZINC001049894678 802043945 /nfs/dbraw/zinc/04/39/45/802043945.db2.gz GTHUSVWLGFQWDV-BFHYXJOUSA-N 2 0 281.400 -0.004 20 0 CBADRP CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001051931469 802172664 /nfs/dbraw/zinc/17/26/64/802172664.db2.gz BLPREJWZTUQMNW-RYUDHWBXSA-N 2 0 255.362 -0.225 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052713554 802214380 /nfs/dbraw/zinc/21/43/80/802214380.db2.gz ZUIYIAYXJCGWGC-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052713556 802215809 /nfs/dbraw/zinc/21/58/09/802215809.db2.gz ZUIYIAYXJCGWGC-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001054296981 802333505 /nfs/dbraw/zinc/33/35/05/802333505.db2.gz ZVMHWDAPSPBQDS-JHJVBQTASA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CC(N)=O ZINC001054968566 802382435 /nfs/dbraw/zinc/38/24/35/802382435.db2.gz KCZDILWIFHEBSW-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001055483110 802395671 /nfs/dbraw/zinc/39/56/71/802395671.db2.gz NQISZQPCEKTNCP-CQSZACIVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001148215603 814933790 /nfs/dbraw/zinc/93/37/90/814933790.db2.gz CJZDYEBSLCAQDJ-UHFFFAOYSA-N 2 0 255.362 -0.535 20 0 CBADRP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001148216719 814933996 /nfs/dbraw/zinc/93/39/96/814933996.db2.gz RKSJJPHLMSCEBV-UHFFFAOYSA-N 2 0 269.389 -0.145 20 0 CBADRP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001148210739 814934524 /nfs/dbraw/zinc/93/45/24/814934524.db2.gz UGNVJDLOZWAVPU-UHFFFAOYSA-N 2 0 299.415 -0.519 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC001117978263 812461275 /nfs/dbraw/zinc/46/12/75/812461275.db2.gz HQGNMFULYMAOCY-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP O=C(CN1CC[C@]2(C1)CCCC[NH2+]2)N1CC[NH2+]CC1 ZINC001119683594 812866361 /nfs/dbraw/zinc/86/63/61/812866361.db2.gz CZXOQIQPGKBVOU-AWEZNQCLSA-N 2 0 266.389 -0.364 20 0 CBADRP CC1([NH3+])CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC1 ZINC001121933169 813091798 /nfs/dbraw/zinc/09/17/98/813091798.db2.gz OXYJIBBJFUASIU-RISCZKNCSA-N 2 0 267.373 -0.048 20 0 CBADRP COCC[NH2+]CCNC(=O)c1cc2n(n1)CCC[C@@H]2[NH3+] ZINC001121930822 813091969 /nfs/dbraw/zinc/09/19/69/813091969.db2.gz UVYLZJCVJWPBSW-JTQLQIEISA-N 2 0 281.360 -0.358 20 0 CBADRP C[C@]1(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[C@@H](O)C[NH2+]1 ZINC001121931134 813092308 /nfs/dbraw/zinc/09/23/08/813092308.db2.gz FCKRZJSRPAIDOK-XJBAAKRRSA-N 2 0 267.373 -0.315 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001121930908 813092568 /nfs/dbraw/zinc/09/25/68/813092568.db2.gz YDLYHWWQKPSWBY-DMDPSCGWSA-N 2 0 255.362 -0.313 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001122018128 813104914 /nfs/dbraw/zinc/10/49/14/813104914.db2.gz DZAQBIYUCRJOPS-QWHCGFSZSA-N 2 0 296.415 -0.229 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC1=CC[NH2+]CC1 ZINC001122015280 813105221 /nfs/dbraw/zinc/10/52/21/813105221.db2.gz MLBXNJAMPCNYMH-WCQYABFASA-N 2 0 264.373 -0.589 20 0 CBADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001122018126 813105375 /nfs/dbraw/zinc/10/53/75/813105375.db2.gz DZAQBIYUCRJOPS-CHWSQXEVSA-N 2 0 296.415 -0.229 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001122021793 813105557 /nfs/dbraw/zinc/10/55/57/813105557.db2.gz ANAHFCXURPPPAJ-OPDFLTKYSA-N 2 0 267.373 -0.144 20 0 CBADRP C[C@@]1(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C[C@@H](O)C[NH2+]1 ZINC001122102672 813117584 /nfs/dbraw/zinc/11/75/84/813117584.db2.gz AUXOGOSZLFKTNY-GYSYKLTISA-N 2 0 269.389 -0.006 20 0 CBADRP C[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCN2C)[C@@H]1CC[NH3+] ZINC001122126607 813121608 /nfs/dbraw/zinc/12/16/08/813121608.db2.gz JEUGHKZRKLRRPI-JHJVBQTASA-N 2 0 268.405 -0.134 20 0 CBADRP [NH3+][C@@H]1C[C@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)[C@H]2C[C@H]21 ZINC001122175647 813127732 /nfs/dbraw/zinc/12/77/32/813127732.db2.gz YADZCXHZOXURNP-RXGFPQBGSA-N 2 0 267.373 -0.457 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC001122401827 813159776 /nfs/dbraw/zinc/15/97/76/813159776.db2.gz KTSGDOKHARWENA-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)[C@@H]1C[N@H+](C)CCN1C ZINC001122450050 813166425 /nfs/dbraw/zinc/16/64/25/813166425.db2.gz ZJENEJCEQIUVGS-DRZSPHRISA-N 2 0 266.389 -0.216 20 0 CBADRP C[NH2+]C1CC(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)C1 ZINC001122449044 813167404 /nfs/dbraw/zinc/16/74/04/813167404.db2.gz RGVDADCHSCQIEQ-WTIISPKJSA-N 2 0 268.405 -0.265 20 0 CBADRP C[NH+](C)C1(C(=O)NCC[NH2+]CC(=O)NC2CC2)CCC1 ZINC001129357437 813837881 /nfs/dbraw/zinc/83/78/81/813837881.db2.gz LIGKEPJYAOXZNG-UHFFFAOYSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294722 814237020 /nfs/dbraw/zinc/23/70/20/814237020.db2.gz QOVMZNQRISCQBC-LLVKDONJSA-N 2 0 272.393 -0.441 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001133291012 814237518 /nfs/dbraw/zinc/23/75/18/814237518.db2.gz HSQVTYHJKPGWBV-JTQLQIEISA-N 2 0 258.366 -0.879 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001133291112 814237992 /nfs/dbraw/zinc/23/79/92/814237992.db2.gz JWAHNWUEVRMOSG-UHFFFAOYSA-N 2 0 270.377 -0.830 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001133294390 814238219 /nfs/dbraw/zinc/23/82/19/814238219.db2.gz HBVVTCUJCRJFDG-UHFFFAOYSA-N 2 0 270.377 -0.830 20 0 CBADRP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294275 814238520 /nfs/dbraw/zinc/23/85/20/814238520.db2.gz AMLHNXCIZUKFDD-NWDGAFQWSA-N 2 0 286.420 -0.053 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001133345369 814246065 /nfs/dbraw/zinc/24/60/65/814246065.db2.gz BFMAEMXEOUSFCU-STQMWFEESA-N 2 0 298.431 -0.114 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001133345368 814246162 /nfs/dbraw/zinc/24/61/62/814246162.db2.gz BFMAEMXEOUSFCU-QWHCGFSZSA-N 2 0 298.431 -0.114 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415704 814250554 /nfs/dbraw/zinc/25/05/54/814250554.db2.gz KWNNVCPYJWEQRH-CYBMUJFWSA-N 2 0 286.420 -0.195 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133842536 814304996 /nfs/dbraw/zinc/30/49/96/814304996.db2.gz UTZBPRPRHLWYLP-LBPRGKRZSA-N 2 0 294.403 -0.154 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1)[NH+](C)C ZINC001133983046 814332593 /nfs/dbraw/zinc/33/25/93/814332593.db2.gz WMADJUSAAKSSMS-ZDUSSCGKSA-N 2 0 294.399 -0.069 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC1CCC1)[NH+](C)C ZINC001133982536 814332796 /nfs/dbraw/zinc/33/27/96/814332796.db2.gz FGTRWHLCXJEJME-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CN(CC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C)C(N)=[NH2+] ZINC001144142681 814773818 /nfs/dbraw/zinc/77/38/18/814773818.db2.gz KIIFMVGHQPYNNV-UWVGGRQHSA-N 2 0 255.366 -0.199 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148360466 814939781 /nfs/dbraw/zinc/93/97/81/814939781.db2.gz VONOZOZPKVVPSY-UHFFFAOYSA-N 2 0 286.420 -0.051 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148360519 814940077 /nfs/dbraw/zinc/94/00/77/814940077.db2.gz WKBOEPSUAMSAGT-UHFFFAOYSA-N 2 0 286.420 -0.098 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148352104 814940202 /nfs/dbraw/zinc/94/02/02/814940202.db2.gz AOSMEWKANDQCLW-UHFFFAOYSA-N 2 0 258.366 -0.830 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)CCCC[NH+](C)C)C(N)=O ZINC001148365205 814940908 /nfs/dbraw/zinc/94/09/08/814940908.db2.gz LBAQVBIWTNGFAA-NSHDSACASA-N 2 0 272.393 -0.312 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001160453941 815623548 /nfs/dbraw/zinc/62/35/48/815623548.db2.gz HARJXSIIYNJHKJ-NEPJUHHUSA-N 2 0 255.362 -0.633 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001148570787 814950486 /nfs/dbraw/zinc/95/04/86/814950486.db2.gz LZEDGRZXLIPRNQ-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NCC ZINC001148570372 814950862 /nfs/dbraw/zinc/95/08/62/814950862.db2.gz BVDSOCAQOGWDPM-UHFFFAOYSA-N 2 0 272.393 -0.440 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]Cc1cnnn1C ZINC001148571090 814951747 /nfs/dbraw/zinc/95/17/47/814951747.db2.gz VUFKMBNBKBIBKV-UHFFFAOYSA-N 2 0 282.392 -0.247 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N(C)C ZINC001148638621 814954440 /nfs/dbraw/zinc/95/44/40/814954440.db2.gz KCLQSJZFHKBCIW-UHFFFAOYSA-N 2 0 258.366 -0.878 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+]([C@@H](C)C(N)=O)C2 ZINC001148652217 814955695 /nfs/dbraw/zinc/95/56/95/814955695.db2.gz ZWNZHAXXPAGIKQ-LBPRGKRZSA-N 2 0 296.415 -0.264 20 0 CBADRP CCCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001321740315 803808973 /nfs/dbraw/zinc/80/89/73/803808973.db2.gz VZYOVSYPXAZQTQ-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@@H](C(=O)N(C)CCC[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C ZINC001322698763 803929447 /nfs/dbraw/zinc/92/94/47/803929447.db2.gz BPTCEWPKHOGODU-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1C[C@@H](C)O ZINC001323359078 804015672 /nfs/dbraw/zinc/01/56/72/804015672.db2.gz ZBFGFOVCDVBINS-NEPJUHHUSA-N 2 0 257.378 -0.102 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@]2(N)CCC[NH2+]C2)CC1 ZINC001160458708 815625508 /nfs/dbraw/zinc/62/55/08/815625508.db2.gz BHBSGMCDXIKPJB-ZDUSSCGKSA-N 2 0 254.378 -0.475 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCC[NH3+] ZINC001325346222 804278682 /nfs/dbraw/zinc/27/86/82/804278682.db2.gz MBZAHXJTNHUVMC-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001325390487 804283192 /nfs/dbraw/zinc/28/31/92/804283192.db2.gz CCKRDNSFHXDMEC-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H]([NH2+]CCO)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001325441806 804287901 /nfs/dbraw/zinc/28/79/01/804287901.db2.gz ZKPHTMLVGMOMBR-NWDGAFQWSA-N 2 0 257.378 -0.243 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2cscn2)CC1 ZINC001325844304 804323457 /nfs/dbraw/zinc/32/34/57/804323457.db2.gz PWZQZBXJDWFQNI-ZDUSSCGKSA-N 2 0 284.429 -0.117 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001150241152 815022261 /nfs/dbraw/zinc/02/22/61/815022261.db2.gz MMIJUOJONDZGAY-GFCCVEGCSA-N 2 0 273.377 -0.863 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[NH+](CCO)CCCO1 ZINC001150547554 815034891 /nfs/dbraw/zinc/03/48/91/815034891.db2.gz VUNVNPTYXVZWFY-ZDUSSCGKSA-N 2 0 287.404 -0.472 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001151043648 815051529 /nfs/dbraw/zinc/05/15/29/815051529.db2.gz INHUJOXVAOSKQX-NSHDSACASA-N 2 0 284.404 -0.441 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151048581 815051580 /nfs/dbraw/zinc/05/15/80/815051580.db2.gz CBZQQIIIUOCYMD-LLVKDONJSA-N 2 0 270.377 -0.832 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001151043647 815052764 /nfs/dbraw/zinc/05/27/64/815052764.db2.gz INHUJOXVAOSKQX-LLVKDONJSA-N 2 0 284.404 -0.441 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049199 815053455 /nfs/dbraw/zinc/05/34/55/815053455.db2.gz JYMLRKZKTHSJOV-GFCCVEGCSA-N 2 0 284.404 -0.489 20 0 CBADRP CC(C)N(C)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151064649 815053842 /nfs/dbraw/zinc/05/38/42/815053842.db2.gz CNYZYWSBIWBBSZ-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP Cc1noc(CCC[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001151049584 815054335 /nfs/dbraw/zinc/05/43/35/815054335.db2.gz SQRKUFWQXSKXEP-LBPRGKRZSA-N 2 0 295.387 -0.032 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC2CCCC2)C1 ZINC001151049593 815054853 /nfs/dbraw/zinc/05/48/53/815054853.db2.gz SVZCOBLNMBABTO-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H](O)CCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151065137 815055527 /nfs/dbraw/zinc/05/55/27/815055527.db2.gz GZPHMXMTESZCLN-RYUDHWBXSA-N 2 0 257.378 -0.195 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001151066782 815055958 /nfs/dbraw/zinc/05/59/58/815055958.db2.gz YRXDHVAPSSQLIF-NSHDSACASA-N 2 0 291.417 -0.921 20 0 CBADRP CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001151066155 815057236 /nfs/dbraw/zinc/05/72/36/815057236.db2.gz RBQQVDHDBHKDIP-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@H]2CCOC2)C1 ZINC001151065843 815058047 /nfs/dbraw/zinc/05/80/47/815058047.db2.gz NPYDRZXNBYEXGR-NEPJUHHUSA-N 2 0 255.362 -0.320 20 0 CBADRP CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151065842 815058108 /nfs/dbraw/zinc/05/81/08/815058108.db2.gz NMRIRAHDOUHSDI-LBPRGKRZSA-N 2 0 299.419 -0.649 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCN2CCCC2=O)C1 ZINC001151066088 815058133 /nfs/dbraw/zinc/05/81/33/815058133.db2.gz PRTYTVZEMHOAHI-LBPRGKRZSA-N 2 0 282.388 -0.734 20 0 CBADRP CN1CCC[C@H]([NH2+]CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001151097291 815060910 /nfs/dbraw/zinc/06/09/10/815060910.db2.gz MRXBQMULSDKRSS-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001151100729 815062281 /nfs/dbraw/zinc/06/22/81/815062281.db2.gz FUVXUODQOIYBQQ-LBPRGKRZSA-N 2 0 292.387 -0.433 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCCO)C2 ZINC001072541813 805308894 /nfs/dbraw/zinc/30/88/94/805308894.db2.gz DTLBFSPXKGACJW-CYBMUJFWSA-N 2 0 281.400 -0.003 20 0 CBADRP C[C@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001072553848 805312424 /nfs/dbraw/zinc/31/24/24/805312424.db2.gz LHLNRKFJFGNZPS-QWHCGFSZSA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]C[C@H]1CCOC1 ZINC001151158641 815065834 /nfs/dbraw/zinc/06/58/34/815065834.db2.gz QLWUJOCJMNZWGZ-UONOGXRCSA-N 2 0 299.415 -0.303 20 0 CBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001072741076 805334545 /nfs/dbraw/zinc/33/45/45/805334545.db2.gz WNHWXNRNXPOXFS-AWEZNQCLSA-N 2 0 293.411 -0.145 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC3(C2)CC[NH+](CCO)C3)C1 ZINC001073127841 805362569 /nfs/dbraw/zinc/36/25/69/805362569.db2.gz IPSUEMANVVGYOS-ZDUSSCGKSA-N 2 0 281.400 -0.145 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](CCCO)C3)C1 ZINC001073425673 805367164 /nfs/dbraw/zinc/36/71/64/805367164.db2.gz DIUKDQXXDSZVFL-ZDUSSCGKSA-N 2 0 281.400 -0.145 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001073426012 805367621 /nfs/dbraw/zinc/36/76/21/805367621.db2.gz NYJMHLNEOYKBGX-VXGBXAGGSA-N 2 0 294.399 -0.654 20 0 CBADRP COCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073554392 805386210 /nfs/dbraw/zinc/38/62/10/805386210.db2.gz GZYQJKFWNVQMSQ-UONOGXRCSA-N 2 0 299.415 -0.066 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+](CCO)CCCO1 ZINC001073661658 805404201 /nfs/dbraw/zinc/40/42/01/805404201.db2.gz BLSNOCINWVQCAG-KBPBESRZSA-N 2 0 299.415 -0.330 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001074648828 805463998 /nfs/dbraw/zinc/46/39/98/805463998.db2.gz JKYPTPQKMBUTFH-AVGNSLFASA-N 2 0 296.415 -0.077 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001074655025 805464238 /nfs/dbraw/zinc/46/42/38/805464238.db2.gz RUQWJHNXORVZOZ-UHTWSYAYSA-N 2 0 294.399 -0.608 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001074654916 805464598 /nfs/dbraw/zinc/46/45/98/805464598.db2.gz KMUSMZVMRWKJCW-UBHSHLNASA-N 2 0 281.400 -0.101 20 0 CBADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C)C(N)=O ZINC001074803949 805473370 /nfs/dbraw/zinc/47/33/70/805473370.db2.gz WXPHQLXXRWWOFS-ZDEQEGDKSA-N 2 0 296.415 -0.077 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001074877503 805476037 /nfs/dbraw/zinc/47/60/37/805476037.db2.gz CDPRDGGMUKKALH-WOPDTQHZSA-N 2 0 282.388 -0.465 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccc2nncn2c1 ZINC001151675636 815085886 /nfs/dbraw/zinc/08/58/86/815085886.db2.gz LFDARGGUPWBJDI-UHFFFAOYSA-N 2 0 275.316 -0.196 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1[nH]nc2c1COCC2 ZINC001152011720 815100391 /nfs/dbraw/zinc/10/03/91/815100391.db2.gz KXRPGPIIQLYPAR-UHFFFAOYSA-N 2 0 280.332 -0.443 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152222811 815111026 /nfs/dbraw/zinc/11/10/26/815111026.db2.gz CBESLRQJHSOZPG-ZDUSSCGKSA-N 2 0 287.404 -0.425 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152439464 815120750 /nfs/dbraw/zinc/12/07/50/815120750.db2.gz NJWUDLSALGKSFU-UHFFFAOYSA-N 2 0 272.393 -0.443 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001152445566 815122756 /nfs/dbraw/zinc/12/27/56/815122756.db2.gz JHQREJSVJCFCTJ-ZDUSSCGKSA-N 2 0 297.403 -0.710 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001152452098 815123181 /nfs/dbraw/zinc/12/31/81/815123181.db2.gz SDTIMZWZVIUPSP-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001152451785 815123315 /nfs/dbraw/zinc/12/33/15/815123315.db2.gz HHVRCQYQYUTULB-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001152452023 815123318 /nfs/dbraw/zinc/12/33/18/815123318.db2.gz QBGXTUOUZXGEPH-SNVBAGLBSA-N 2 0 256.350 -0.948 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C[C@@H](C)O ZINC001152458019 815124360 /nfs/dbraw/zinc/12/43/60/815124360.db2.gz KTYIVQPKKDLNTB-NEPJUHHUSA-N 2 0 257.378 -0.053 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001152458169 815124688 /nfs/dbraw/zinc/12/46/88/815124688.db2.gz MBQZGDMAJKKKTE-CYBMUJFWSA-N 2 0 294.403 -0.142 20 0 CBADRP C[C@@H](CN1CC[NH2+]CC1)Nc1ncnc2c1CC[NH2+]C2 ZINC001154748837 815237452 /nfs/dbraw/zinc/23/74/52/815237452.db2.gz RFGGBXBEABPAQT-NSHDSACASA-N 2 0 276.388 -0.172 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])c1ccc(N2CC[NH2+]CC2)cn1 ZINC001154770364 815239708 /nfs/dbraw/zinc/23/97/08/815239708.db2.gz HIORDQBERKCYCR-UHFFFAOYSA-N 2 0 299.400 -0.784 20 0 CBADRP C[NH+]1CCN(c2nccc(-n3cnc(C[NH3+])c3)n2)CC1 ZINC001154910010 815249275 /nfs/dbraw/zinc/24/92/75/815249275.db2.gz CMLQLDMRJCESLI-UHFFFAOYSA-N 2 0 273.344 -0.127 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1c1cc2c(nn1)CC[NH2+]C2 ZINC001154976645 815255036 /nfs/dbraw/zinc/25/50/36/815255036.db2.gz JNXQVTGWSFDNJE-GFCCVEGCSA-N 2 0 277.372 -0.111 20 0 CBADRP [NH3+][C@H]1COC[C@H]1Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC001155353336 815278394 /nfs/dbraw/zinc/27/83/94/815278394.db2.gz LNVQZQBQWHOZQC-NWDGAFQWSA-N 2 0 263.345 -0.371 20 0 CBADRP COC(=O)[C@@H](Nc1cc2c(nn1)CC[NH2+]C2)C(C)(C)[NH3+] ZINC001155369615 815279211 /nfs/dbraw/zinc/27/92/11/815279211.db2.gz YTGJXAJVGLABDK-LLVKDONJSA-N 2 0 279.344 -0.187 20 0 CBADRP [NH3+][C@H]1COC[C@H]1Nc1ccc(OC2CC[NH2+]CC2)nn1 ZINC001155354384 815279466 /nfs/dbraw/zinc/27/94/66/815279466.db2.gz HBLJFGPYZVNZIB-WDEREUQCSA-N 2 0 279.344 -0.255 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccc3c(n2)CC[NH2+]C3)N1 ZINC001155569751 815293716 /nfs/dbraw/zinc/29/37/16/815293716.db2.gz IHIDBKWFPJGGFD-RISCZKNCSA-N 2 0 273.340 -0.283 20 0 CBADRP [NH3+]Cc1cc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)ncn1 ZINC001155522983 815290356 /nfs/dbraw/zinc/29/03/56/815290356.db2.gz LSNBEQHSSSZREZ-YUSALJHKSA-N 2 0 263.345 -0.028 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ncnc3c2CC[NH2+]C3)N1 ZINC001155570779 815294707 /nfs/dbraw/zinc/29/47/07/815294707.db2.gz OPLZMSJJFCRICJ-GWCFXTLKSA-N 2 0 274.328 -0.888 20 0 CBADRP Cc1cnc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)c(C[NH3+])c1 ZINC001155573776 815296416 /nfs/dbraw/zinc/29/64/16/815296416.db2.gz COJCNCYIGYOYDF-GWCFXTLKSA-N 2 0 261.329 -0.161 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155791552 815312590 /nfs/dbraw/zinc/31/25/90/815312590.db2.gz WNOPZONICGXSOF-GFCCVEGCSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)NC1CC1 ZINC001155822605 815314449 /nfs/dbraw/zinc/31/44/49/815314449.db2.gz VSFYOQZCAQTTKW-WCQYABFASA-N 2 0 296.415 -0.156 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001155810925 815314609 /nfs/dbraw/zinc/31/46/09/815314609.db2.gz CONPFXCBJASBOY-GFCCVEGCSA-N 2 0 297.403 -0.798 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001155810447 815314627 /nfs/dbraw/zinc/31/46/27/815314627.db2.gz AXNAQVYHYDBLGO-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155812880 815315250 /nfs/dbraw/zinc/31/52/50/815315250.db2.gz OTGACXBUVUIZJO-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP CCn1cc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C)nn1 ZINC001155811796 815315292 /nfs/dbraw/zinc/31/52/92/815315292.db2.gz JPXMFBKYOPWYMO-CYBMUJFWSA-N 2 0 294.403 -0.012 20 0 CBADRP c1cnc(N(c2ncc3c(n2)C[NH2+]C3)C2C[NH2+]C2)nc1 ZINC001155869415 815318368 /nfs/dbraw/zinc/31/83/68/815318368.db2.gz ATHNNFIXLLBUJJ-UHFFFAOYSA-N 2 0 269.312 -0.020 20 0 CBADRP [NH3+]CCN(CCO)c1nc(Cl)nc2c1CC[NH2+]C2 ZINC001155949431 815325555 /nfs/dbraw/zinc/32/55/55/815325555.db2.gz KSFDRLHSUSUVGN-UHFFFAOYSA-N 2 0 271.752 -0.467 20 0 CBADRP [NH3+]CCN(CCO)c1cccc(N2CCC([NH3+])CC2)n1 ZINC001155953102 815325577 /nfs/dbraw/zinc/32/55/77/815325577.db2.gz PVPQDYYUQWZTOE-UHFFFAOYSA-N 2 0 279.388 -0.234 20 0 CBADRP [NH3+]CCN(CCO)c1ccc(OCC2CC[NH2+]CC2)nn1 ZINC001155953669 815326190 /nfs/dbraw/zinc/32/61/90/815326190.db2.gz NNKUZXPAXHIMFB-UHFFFAOYSA-N 2 0 295.387 -0.388 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001086122635 810242644 /nfs/dbraw/zinc/24/26/44/810242644.db2.gz SAUNOEVAHDKUAE-XQQFMLRXSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001086327433 810260307 /nfs/dbraw/zinc/26/03/07/810260307.db2.gz DUZZJJKOQIZKMI-FDYHWXHSSA-N 2 0 269.389 -0.054 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001086327893 810260685 /nfs/dbraw/zinc/26/06/85/810260685.db2.gz TTYQTFBAADPRSV-CYDGBPFRSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001086324552 810260759 /nfs/dbraw/zinc/26/07/59/810260759.db2.gz CSFVMNXUUGOETQ-BJDJZHNGSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001086333371 810261732 /nfs/dbraw/zinc/26/17/32/810261732.db2.gz MQKNFSISLPDFFQ-FDYHWXHSSA-N 2 0 285.388 -0.818 20 0 CBADRP O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001086372953 810265290 /nfs/dbraw/zinc/26/52/90/810265290.db2.gz FGWGCQOYSMELLK-SYQHCUMBSA-N 2 0 297.399 -0.674 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001086402223 810267359 /nfs/dbraw/zinc/26/73/59/810267359.db2.gz MUIDTEIIVKIPCB-ZDEQEGDKSA-N 2 0 296.415 -0.171 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001086416726 810267852 /nfs/dbraw/zinc/26/78/52/810267852.db2.gz DLNJLHHXWDDTJK-HAQNSBGRSA-N 2 0 294.399 -0.416 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001086476799 810273514 /nfs/dbraw/zinc/27/35/14/810273514.db2.gz DUZDDLLIMKLGNY-FDYHWXHSSA-N 2 0 269.389 -0.339 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001086551531 810278719 /nfs/dbraw/zinc/27/87/19/810278719.db2.gz DKELJUMRICMOOM-FDYHWXHSSA-N 2 0 296.415 -0.314 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086558889 810280201 /nfs/dbraw/zinc/28/02/01/810280201.db2.gz ZDHLEDKXORRMJG-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001086659150 810281912 /nfs/dbraw/zinc/28/19/12/810281912.db2.gz LTXGZVZEHOJRTK-TUAOUCFPSA-N 2 0 282.388 -0.560 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCO)C1 ZINC001086659855 810281925 /nfs/dbraw/zinc/28/19/25/810281925.db2.gz NVCNNJVGYLGZLL-YNEHKIRRSA-N 2 0 269.389 -0.053 20 0 CBADRP CC[N@H+](C[C@@H](C)O)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156389982 815357523 /nfs/dbraw/zinc/35/75/23/815357523.db2.gz CBHLFRYVNYBLJQ-CHWSQXEVSA-N 2 0 289.420 -0.228 20 0 CBADRP CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001087261904 810291525 /nfs/dbraw/zinc/29/15/25/810291525.db2.gz GDLGGFRXELLFKX-JTQLQIEISA-N 2 0 293.371 -0.140 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001088426221 810330190 /nfs/dbraw/zinc/33/01/90/810330190.db2.gz OBMGMDMESPNOMK-CYBMUJFWSA-N 2 0 296.415 -0.072 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090536532 810518112 /nfs/dbraw/zinc/51/81/12/810518112.db2.gz FVRPQQCQOFIKMR-UONOGXRCSA-N 2 0 299.415 -0.474 20 0 CBADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCO)C[C@H]2O)CC1 ZINC001090673777 810545949 /nfs/dbraw/zinc/54/59/49/810545949.db2.gz MLKRZKMRAOLSIU-UONOGXRCSA-N 2 0 299.415 -0.738 20 0 CBADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCO)C[C@@H]2O)CC1 ZINC001090673775 810547541 /nfs/dbraw/zinc/54/75/41/810547541.db2.gz MLKRZKMRAOLSIU-KBPBESRZSA-N 2 0 299.415 -0.738 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](CCCF)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001090729918 810559807 /nfs/dbraw/zinc/55/98/07/810559807.db2.gz CFRIIQJDTDORSA-OLZOCXBDSA-N 2 0 299.390 -0.007 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCCF)C[C@@H]1O ZINC001090817857 810572800 /nfs/dbraw/zinc/57/28/00/810572800.db2.gz SWWPYCMBKLOCHL-STQMWFEESA-N 2 0 287.379 -0.007 20 0 CBADRP NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001091031264 810586943 /nfs/dbraw/zinc/58/69/43/810586943.db2.gz UEWSKOADSOJDOJ-KGPNIALWSA-N 2 0 294.399 -0.702 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001091059100 810587151 /nfs/dbraw/zinc/58/71/51/810587151.db2.gz CCIDLGKOQQTFEC-BPCQOVAHSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]([NH2+]C1CC(CNC(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001091212843 810598415 /nfs/dbraw/zinc/59/84/15/810598415.db2.gz CBUFFAAGCBNWKU-ZBOXLXRLSA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@H]([NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001091327270 810603081 /nfs/dbraw/zinc/60/30/81/810603081.db2.gz DTJIGWXTEKIVHE-UNXYVOJBSA-N 2 0 294.399 -0.560 20 0 CBADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092503653 810632897 /nfs/dbraw/zinc/63/28/97/810632897.db2.gz CAVQGDQHAWRSPF-JHJVBQTASA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093132925 810645217 /nfs/dbraw/zinc/64/52/17/810645217.db2.gz HBVYOIIXIUMIBU-VXGBXAGGSA-N 2 0 294.399 -0.748 20 0 CBADRP [NH3+]CCc1nnn(-c2cc(Cl)nc3c2CC[NH2+]C3)n1 ZINC001156989470 815396651 /nfs/dbraw/zinc/39/66/51/815396651.db2.gz YALQTJCTDLTIII-UHFFFAOYSA-N 2 0 279.735 -0.142 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(N2CC[NH2+]CC2)nn1 ZINC001157094525 815403862 /nfs/dbraw/zinc/40/38/62/815403862.db2.gz SLHIWLSZSAVDEE-UHFFFAOYSA-N 3 0 292.391 -0.439 20 0 CBADRP COC(=O)c1ccc(NC(=[NH2+])NCCCC[NH3+])nn1 ZINC001157093862 815404335 /nfs/dbraw/zinc/40/43/35/815404335.db2.gz GELTUAYZCDDAJH-UHFFFAOYSA-N 2 0 266.305 -0.062 20 0 CBADRP CNC(=O)c1ccc(NC(=[NH2+])NCCCC[NH3+])nn1 ZINC001157099986 815405176 /nfs/dbraw/zinc/40/51/76/815405176.db2.gz VKPATQNVVMFSMC-UHFFFAOYSA-N 2 0 265.321 -0.489 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@@H]2O)CCC1 ZINC001099874187 810959263 /nfs/dbraw/zinc/95/92/63/810959263.db2.gz HIJMWXJTNWCECQ-STQMWFEESA-N 2 0 299.415 -0.596 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CCO)C[C@@H]1O ZINC001099898425 810961638 /nfs/dbraw/zinc/96/16/38/810961638.db2.gz BGNJIANNVCMGFU-NEPJUHHUSA-N 2 0 287.404 -0.740 20 0 CBADRP CCOCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099988247 810985972 /nfs/dbraw/zinc/98/59/72/810985972.db2.gz FTHDRPVOIAXHII-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099988089 810986512 /nfs/dbraw/zinc/98/65/12/810986512.db2.gz CATISHKSJKPTTB-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100077244 811014157 /nfs/dbraw/zinc/01/41/57/811014157.db2.gz ZIRWYRLZZKQGAO-STQMWFEESA-N 2 0 287.404 -0.738 20 0 CBADRP CC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076525 811014703 /nfs/dbraw/zinc/01/47/03/811014703.db2.gz MQDZTXUPVRSLRD-NEPJUHHUSA-N 2 0 273.377 -0.864 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC)C[C@@H]1O ZINC001100082432 811018100 /nfs/dbraw/zinc/01/81/00/811018100.db2.gz BQPXPGREPCRVAY-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCCO)C[C@@H]1O ZINC001100080959 811019091 /nfs/dbraw/zinc/01/90/91/811019091.db2.gz OEQZRSULCYZNJU-STQMWFEESA-N 2 0 287.404 -0.738 20 0 CBADRP O=C(CCC[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100124258 811021757 /nfs/dbraw/zinc/02/17/57/811021757.db2.gz FSAHYFSFICUMCH-KBPBESRZSA-N 2 0 299.415 -0.594 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100419512 811056321 /nfs/dbraw/zinc/05/63/21/811056321.db2.gz VOBOYPBIHBOMEZ-BPCQOVAHSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@H](C(=O)NCC1CC([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001100442851 811057598 /nfs/dbraw/zinc/05/75/98/811057598.db2.gz ZIPXCGBXTMSNDK-VQXHTEKXSA-N 2 0 270.377 -0.704 20 0 CBADRP C[NH+](C)CCC(=O)NCC1CC([NH2+][C@@H]2CCCNC2=O)C1 ZINC001100637377 811069176 /nfs/dbraw/zinc/06/91/76/811069176.db2.gz PEABLVKMFZDREP-WXRRBKDZSA-N 2 0 296.415 -0.299 20 0 CBADRP CN(C)C(=O)C[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637136 811069875 /nfs/dbraw/zinc/06/98/75/811069875.db2.gz DGFURVFCBYTKED-UHFFFAOYSA-N 2 0 284.404 -0.489 20 0 CBADRP C[NH+](C)CCC(=O)NCC1CC([NH2+]CCn2cncn2)C1 ZINC001100638344 811070735 /nfs/dbraw/zinc/07/07/35/811070735.db2.gz HKTJCPBJVULSNM-UHFFFAOYSA-N 2 0 294.403 -0.286 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC2CC([NH2+]CC(N)=O)C2)C1 ZINC001100678768 811071516 /nfs/dbraw/zinc/07/15/16/811071516.db2.gz WBIZXHLRGAQSLO-UNXYVOJBSA-N 2 0 282.388 -0.702 20 0 CBADRP CC[C@@H]([NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001100638464 811072000 /nfs/dbraw/zinc/07/20/00/811072000.db2.gz MECQKALQFGPPAL-HTAVTVPLSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@@H](C(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001100683871 811072624 /nfs/dbraw/zinc/07/26/24/811072624.db2.gz WDAPDYAVGCFWAD-BPCQOVAHSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001100769323 811077444 /nfs/dbraw/zinc/07/74/44/811077444.db2.gz DMFAUNBBCAYPTG-WXRRBKDZSA-N 2 0 296.415 -0.299 20 0 CBADRP CC1CC[NH+](CC(=O)NCC2CC([NH2+]CC(N)=O)C2)CC1 ZINC001100785362 811079413 /nfs/dbraw/zinc/07/94/13/811079413.db2.gz GWCYXSMSUFIAAN-UHFFFAOYSA-N 2 0 296.415 -0.312 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1 ZINC001100829818 811081291 /nfs/dbraw/zinc/08/12/91/811081291.db2.gz MMYALXWTQXDISC-UHFFFAOYSA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1 ZINC001100901959 811084515 /nfs/dbraw/zinc/08/45/15/811084515.db2.gz XNLUCVPOWUWNEY-UHFFFAOYSA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+][C@@H](C)C(N)=O)C1 ZINC001100901855 811084558 /nfs/dbraw/zinc/08/45/58/811084558.db2.gz RGVAGALFESKNQQ-UNXYVOJBSA-N 2 0 284.404 -0.314 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC1CC([NH2+]CCO)C1 ZINC001100984543 811088898 /nfs/dbraw/zinc/08/88/98/811088898.db2.gz LFNUWCCOTJMCFE-UHFFFAOYSA-N 2 0 255.362 -0.441 20 0 CBADRP C[C@@H](O)C[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100986626 811088986 /nfs/dbraw/zinc/08/89/86/811088986.db2.gz XLRFSIDXQYBWSK-PNESKVBLSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1CC([NH2+]CCO)C1 ZINC001100989355 811089378 /nfs/dbraw/zinc/08/93/78/811089378.db2.gz VHGGCGNXOVYKFW-HSBZDZAISA-N 2 0 299.415 -0.569 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1CC([NH2+][C@H](C)C(N)=O)C1 ZINC001101035889 811090605 /nfs/dbraw/zinc/09/06/05/811090605.db2.gz DBBLJZPRCPTCLX-VOMCLLRMSA-N 2 0 284.404 -0.315 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1CC([NH2+][C@@H](C)C(N)=O)C1 ZINC001101035888 811090795 /nfs/dbraw/zinc/09/07/95/811090795.db2.gz DBBLJZPRCPTCLX-UNXYVOJBSA-N 2 0 284.404 -0.315 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]C[C@@H](F)C1 ZINC001157322965 815423626 /nfs/dbraw/zinc/42/36/26/815423626.db2.gz GMURXKPFPUVNFS-VWYCJHECSA-N 2 0 288.367 -0.706 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1COC(C)(C)N1 ZINC001157335238 815424193 /nfs/dbraw/zinc/42/41/93/815424193.db2.gz DVYOGEKLTKTIOU-UWVGGRQHSA-N 2 0 286.376 -0.929 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H]([NH3+])C1CC1 ZINC001157335105 815424384 /nfs/dbraw/zinc/42/43/84/815424384.db2.gz DNCYQMRXPZUQMN-QWRGUYRKSA-N 2 0 270.377 -0.526 20 0 CBADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C)[NH+](C)C ZINC001102087956 811145286 /nfs/dbraw/zinc/14/52/86/811145286.db2.gz DVDDUQZKFPPTST-IJLUTSLNSA-N 2 0 284.404 -0.504 20 0 CBADRP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318600 811152337 /nfs/dbraw/zinc/15/23/37/811152337.db2.gz AKMJCQBWGAPUEM-CHWSQXEVSA-N 2 0 298.431 -0.290 20 0 CBADRP CC[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320483 811153424 /nfs/dbraw/zinc/15/34/24/811153424.db2.gz DXPDUMBOJFUZSF-JHJVBQTASA-N 2 0 298.431 -0.114 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001102496038 811158143 /nfs/dbraw/zinc/15/81/43/811158143.db2.gz ADUKBYFEGOCOQW-VXGBXAGGSA-N 2 0 284.404 -0.502 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001102600343 811161014 /nfs/dbraw/zinc/16/10/14/811161014.db2.gz AELQBXKFFWOZEA-FRRDWIJNSA-N 2 0 298.431 -0.116 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]12C[C@@H]1CC[NH2+]2 ZINC001157344137 815426296 /nfs/dbraw/zinc/42/62/96/815426296.db2.gz GBIJVICHOCBZKY-OUJBWJOFSA-N 2 0 268.361 -0.902 20 0 CBADRP CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C)[NH+](C)C ZINC001103140355 811176222 /nfs/dbraw/zinc/17/62/22/811176222.db2.gz ZZGSFFLBOQJOSR-JHJVBQTASA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@H](NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC001157425049 815432824 /nfs/dbraw/zinc/43/28/24/815432824.db2.gz YVYMIWMUBMVILW-ZMLRMANQSA-N 2 0 255.362 -0.003 20 0 CBADRP N=C(NC(=O)[C@@H]([NH3+])CCCC[NH3+])n1nnc2ccccc21 ZINC001157424874 815433148 /nfs/dbraw/zinc/43/31/48/815433148.db2.gz VYGNBIUXHTVULU-VIFPVBQESA-N 2 0 289.343 -0.213 20 0 CBADRP Cc1cc(N(C(N)=[NH2+])C(=O)C2CC[NH2+]CC2)n[nH]1 ZINC001157439570 815433820 /nfs/dbraw/zinc/43/38/20/815433820.db2.gz KNVZBQOTQGHRIF-UHFFFAOYSA-N 2 0 250.306 -0.056 20 0 CBADRP Cc1cc(N(C(=N)N)C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)n[nH]1 ZINC001157439698 815434254 /nfs/dbraw/zinc/43/42/54/815434254.db2.gz MIYOOOYFIMKEMD-JTQLQIEISA-N 2 0 279.348 -0.729 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CC(N)=O ZINC001106323087 811304452 /nfs/dbraw/zinc/30/44/52/811304452.db2.gz XQOFHYXOBLNKPC-JHJVBQTASA-N 2 0 296.415 -0.360 20 0 CBADRP [NH3+]Cc1cnn(-c2ncccc2C(=O)N2CC[NH2+]CC2)c1 ZINC001157475370 815437909 /nfs/dbraw/zinc/43/79/09/815437909.db2.gz YBGNAQYQFJZTRV-UHFFFAOYSA-N 2 0 286.339 -0.229 20 0 CBADRP COCC1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001157520968 815441024 /nfs/dbraw/zinc/44/10/24/815441024.db2.gz BVTZHBMHMYVZGC-GFCCVEGCSA-N 2 0 267.373 -0.035 20 0 CBADRP CN(CC(F)(F)F)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157519581 815441589 /nfs/dbraw/zinc/44/15/89/815441589.db2.gz ZDENXOVFKSPWDQ-SECBINFHSA-N 2 0 282.310 -0.243 20 0 CBADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC(N2CC(F)C2)C1 ZINC001157529095 815442032 /nfs/dbraw/zinc/44/20/32/815442032.db2.gz XFJDYZZENALKQF-CYBMUJFWSA-N 2 0 296.390 -0.275 20 0 CBADRP [NH3+][C@H](CC(=O)N1C[C@@H](F)[C@@H]([NH3+])C1)Cc1ccncc1 ZINC001157529945 815442461 /nfs/dbraw/zinc/44/24/61/815442461.db2.gz BXSUQKIHNXDSFY-TUAOUCFPSA-N 2 0 266.320 -0.151 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C[C@H]1F ZINC001157536268 815442907 /nfs/dbraw/zinc/44/29/07/815442907.db2.gz KEDXCKAMCKTIDO-RNJXMRFFSA-N 2 0 251.252 -0.261 20 0 CBADRP CO[C@H]([C@@H](C)C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC001157537626 815443854 /nfs/dbraw/zinc/44/38/54/815443854.db2.gz CJIGUTKJOWOSTN-LDMBFOFVSA-N 2 0 273.352 -0.103 20 0 CBADRP [NH3+][C@H]1CN(C(=O)c2cccnc2O[C@@H]2CC[NH2+]C2)C[C@H]1F ZINC001157547666 815445129 /nfs/dbraw/zinc/44/51/29/815445129.db2.gz AAMCBUHGMBRCCM-JLLWLGSASA-N 2 0 294.330 -0.057 20 0 CBADRP [NH3+][C@H]1CN(C(=O)c2csc(N3CC[NH2+]CC3)n2)C[C@H]1F ZINC001157548419 815445179 /nfs/dbraw/zinc/44/51/79/815445179.db2.gz PDUXBNVVGIODOU-BDAKNGLRSA-N 2 0 299.375 -0.326 20 0 CBADRP NC(=[NH2+])c1nccn1-c1cncc(N2CC[NH2+]CC2)n1 ZINC001157623544 815448609 /nfs/dbraw/zinc/44/86/09/815448609.db2.gz WBQSWAIECBLNJQ-UHFFFAOYSA-N 2 0 272.316 -0.644 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001157633932 815449358 /nfs/dbraw/zinc/44/93/58/815449358.db2.gz UDYBKQMYCUCZDH-JTQLQIEISA-N 2 0 253.346 -0.295 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@@H]2Cc3cc(O)ccc3C[NH2+]2)C1 ZINC001157634210 815450435 /nfs/dbraw/zinc/45/04/35/815450435.db2.gz XWJJUVBTMQZZKC-LBPRGKRZSA-N 2 0 261.325 -0.034 20 0 CBADRP COC(=O)[C@@]1(F)CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001157715885 815455609 /nfs/dbraw/zinc/45/56/09/815455609.db2.gz KMTKHMKHWDKONF-GZMMTYOYSA-N 2 0 261.297 -0.834 20 0 CBADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001109979986 811506626 /nfs/dbraw/zinc/50/66/26/811506626.db2.gz HPMVCDPHHCPLHX-AGIUHOORSA-N 2 0 285.388 -0.722 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCCO1 ZINC001157702893 815454176 /nfs/dbraw/zinc/45/41/76/815454176.db2.gz FUHFRIMGPSYCCN-PWSUYJOCSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCCO1 ZINC001157702894 815454653 /nfs/dbraw/zinc/45/46/53/815454653.db2.gz FUHFRIMGPSYCCN-ZYHUDNBSSA-N 2 0 255.362 -0.049 20 0 CBADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981406 811535406 /nfs/dbraw/zinc/53/54/06/811535406.db2.gz ONNRMSFXUCEJON-SYQHCUMBSA-N 2 0 299.415 -0.333 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N(C)C[C@@H]2C[NH2+]CCO2)C1 ZINC001157716677 815455656 /nfs/dbraw/zinc/45/56/56/815455656.db2.gz QNIAYXNNILVNPL-WOPDTQHZSA-N 2 0 255.362 -0.179 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1Cc2cncnc2C1 ZINC001157708019 815455711 /nfs/dbraw/zinc/45/57/11/815455711.db2.gz FUMKDVJFWNUSPI-JTQLQIEISA-N 2 0 259.313 -0.872 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(C)C[C@H]1C[NH2+]CCO1 ZINC001157715213 815455969 /nfs/dbraw/zinc/45/59/69/815455969.db2.gz CKOKKJCPYZUIKB-NEPJUHHUSA-N 3 0 272.393 -0.850 20 0 CBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)CCN1 ZINC001157720254 815456491 /nfs/dbraw/zinc/45/64/91/815456491.db2.gz DPDAIGOVZPPLDU-OLZOCXBDSA-N 2 0 298.431 -0.495 20 0 CBADRP COC(=O)[C@@]1(F)CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001157717010 815456847 /nfs/dbraw/zinc/45/68/47/815456847.db2.gz WCMKOTWKBZEPMI-ZWNOBZJWSA-N 2 0 287.335 -0.573 20 0 CBADRP O=C(N1CCC[C@@H](F)C(=O)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157730021 815458650 /nfs/dbraw/zinc/45/86/50/815458650.db2.gz GVCKSWKABBKICD-JTNHKYCSSA-N 2 0 283.347 -0.285 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]([NH3+])Cc2cnc[nH]2)CC1 ZINC001157730816 815458997 /nfs/dbraw/zinc/45/89/97/815458997.db2.gz PLCHXSABUUALTN-YPMHNXCESA-N 2 0 283.351 -0.041 20 0 CBADRP [NH3+][C@H](C(=O)N1C[C@H](F)C[C@@H](CO)C1)C1CC[NH2+]CC1 ZINC001157730940 815459409 /nfs/dbraw/zinc/45/94/09/815459409.db2.gz PWEIEUJTLCOBPS-JLLWLGSASA-N 2 0 273.352 -0.508 20 0 CBADRP CN(CC(=O)N1CCC[C@](F)(C[NH3+])CC1)C(N)=[NH2+] ZINC001157740011 815460224 /nfs/dbraw/zinc/46/02/24/815460224.db2.gz KPZTVLOGRMLYOF-LLVKDONJSA-N 2 0 259.329 -0.509 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157739423 815460391 /nfs/dbraw/zinc/46/03/91/815460391.db2.gz HGVJEWORQSXBPV-PWSUYJOCSA-N 3 0 260.357 -0.268 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@]23C[NH2+][C@@H](CO2)C3)CC1 ZINC001157741110 815460543 /nfs/dbraw/zinc/46/05/43/815460543.db2.gz STJWDCPUGOKKQK-KGYLQXTDSA-N 2 0 271.336 -0.203 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)C2(O)CC[NH2+]CC2)CC1 ZINC001157741694 815460565 /nfs/dbraw/zinc/46/05/65/815460565.db2.gz ZZBFNQKYIDITKT-GFCCVEGCSA-N 2 0 273.352 -0.220 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@H](CO)n2ccnc2)C[C@@H]1[NH3+] ZINC001157794012 815466782 /nfs/dbraw/zinc/46/67/82/815466782.db2.gz QMQCRDKMWDTZCY-VWYCJHECSA-N 2 0 252.318 -0.388 20 0 CBADRP C[C@@H]1CCN(C(=O)C2=NO[C@@]3(CC[NH2+]C3)C2)C[C@@H]1[NH3+] ZINC001157800252 815468275 /nfs/dbraw/zinc/46/82/75/815468275.db2.gz ZYQYCWXBMCPCQQ-NRUUGDAUSA-N 2 0 266.345 -0.310 20 0 CBADRP N[C@]1(C(=O)N2CCC[C@](F)(C[NH3+])CC2)CCC[NH2+]C1 ZINC001157747039 815461871 /nfs/dbraw/zinc/46/18/71/815461871.db2.gz QRWYLVTWXDQGHX-CHWSQXEVSA-N 2 0 272.368 -0.253 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]2C[C@H]([NH3+])CN2)CC1 ZINC001157754905 815463063 /nfs/dbraw/zinc/46/30/63/815463063.db2.gz MWMLRFMPUNPTCK-NHCYSSNCSA-N 2 0 258.341 -0.645 20 0 CBADRP [NH3+]C[C@]1(F)CCN(c2cc3c(nn2)CC[NH2+]C3)C1 ZINC001157816791 815469520 /nfs/dbraw/zinc/46/95/20/815469520.db2.gz GWEVLWLCAQHCMN-GFCCVEGCSA-N 2 0 251.309 -0.001 20 0 CBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)CN1CC[NH2+]CC1 ZINC001157844764 815470698 /nfs/dbraw/zinc/47/06/98/815470698.db2.gz XMYZSGVMCCPSHE-VXGBXAGGSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)C1(N)CC[NH2+]CC1 ZINC001157843064 815470748 /nfs/dbraw/zinc/47/07/48/815470748.db2.gz OTCXNMZAUKEZBH-WDEREUQCSA-N 2 0 254.378 -0.347 20 0 CBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001157845001 815471057 /nfs/dbraw/zinc/47/10/57/815471057.db2.gz ZFHRVCIQQQRTGV-UHXUPSOCSA-N 2 0 267.373 -0.192 20 0 CBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001157842061 815471093 /nfs/dbraw/zinc/47/10/93/815471093.db2.gz IXKMOKSAHKPGFM-QNWJLWSRSA-N 2 0 266.389 -0.478 20 0 CBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001157843290 815471117 /nfs/dbraw/zinc/47/11/17/815471117.db2.gz QCFMAPADFNSHIK-NQBHXWOUSA-N 2 0 254.378 -0.347 20 0 CBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001157843292 815471136 /nfs/dbraw/zinc/47/11/36/815471136.db2.gz QCFMAPADFNSHIK-WZRBSPASSA-N 2 0 254.378 -0.347 20 0 CBADRP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001157844303 815471220 /nfs/dbraw/zinc/47/12/20/815471220.db2.gz VWXOMMRBBJAHRM-NHCYSSNCSA-N 2 0 265.361 -0.135 20 0 CBADRP C[C@H]1C[C@@H](CO)N(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001157853598 815471646 /nfs/dbraw/zinc/47/16/46/815471646.db2.gz HRFHDOAFKLCNGX-DCAQKATOSA-N 2 0 253.346 -0.975 20 0 CBADRP C[N@H+](CC(=O)N[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21)C1CCC1 ZINC001114414429 811747406 /nfs/dbraw/zinc/74/74/06/811747406.db2.gz TXUMHKHBBOGMCD-NHAGDIPZSA-N 2 0 281.400 -0.101 20 0 CBADRP C[N@H+](CC(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21)C1CCC1 ZINC001114414175 811747635 /nfs/dbraw/zinc/74/76/35/811747635.db2.gz NXHVLBJDDWGTHM-IMRBUKKESA-N 2 0 267.373 -0.491 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC001114422372 811748058 /nfs/dbraw/zinc/74/80/58/811748058.db2.gz ADOVFYCWXBPSCD-RMRHIDDWSA-N 2 0 281.400 -0.101 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)COC)C[C@H]21)[NH+](C)C ZINC001114463563 811750091 /nfs/dbraw/zinc/75/00/91/811750091.db2.gz JUVFAJCFWBFBLH-ODXJTPSBSA-N 2 0 299.415 -0.620 20 0 CBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001114678116 811760959 /nfs/dbraw/zinc/76/09/59/811760959.db2.gz JAOKXNLFYQNYQM-ODXJTPSBSA-N 2 0 297.399 -0.866 20 0 CBADRP [NH3+][C@@H](C(=O)N1CC[C@@H](O)[C@H](F)C1)C1CC[NH2+]CC1 ZINC001157855628 815473119 /nfs/dbraw/zinc/47/31/19/815473119.db2.gz OLBHRDCAFYIWFZ-GMTAPVOTSA-N 2 0 259.325 -0.755 20 0 CBADRP C[C@@H]1CC[C@H](CO)CN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157854471 815473227 /nfs/dbraw/zinc/47/32/27/815473227.db2.gz FCRRPJPBWFXVAD-WOPDTQHZSA-N 2 0 267.373 -0.585 20 0 CBADRP C[C@@H]1CC[C@H](CO)CN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157855652 815473542 /nfs/dbraw/zinc/47/35/42/815473542.db2.gz OYQLVKFIGHICLO-DYEKYZERSA-N 2 0 298.431 -0.644 20 0 CBADRP C[C@@H]1CC[C@H](CO)CN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157855653 815473571 /nfs/dbraw/zinc/47/35/71/815473571.db2.gz OYQLVKFIGHICLO-MBNYWOFBSA-N 2 0 298.431 -0.644 20 0 CBADRP C[C@@H]1CC[C@H](CO)CN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001157856966 815474641 /nfs/dbraw/zinc/47/46/41/815474641.db2.gz YEJWMNJNSXPETI-VWYCJHECSA-N 2 0 275.418 -0.375 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001157878291 815476854 /nfs/dbraw/zinc/47/68/54/815476854.db2.gz YUCFKRRLGKBRMN-HRDYMLBCSA-N 2 0 283.294 -0.318 20 0 CBADRP CC1(C)CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)[C@](C)(CO)C1 ZINC001157925596 815483191 /nfs/dbraw/zinc/48/31/91/815483191.db2.gz MQBHYDPNLNUZHV-RISCZKNCSA-N 2 0 281.400 -0.195 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001157934557 815487209 /nfs/dbraw/zinc/48/72/09/815487209.db2.gz LVLQVAXUKHZRNG-SRVKXCTJSA-N 2 0 273.377 -0.966 20 0 CBADRP C[C@@]1(CO)CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC[C@H]1O ZINC001157947130 815491145 /nfs/dbraw/zinc/49/11/45/815491145.db2.gz QRJJHENGMLVWLL-LOWVWBTDSA-N 2 0 273.377 -0.966 20 0 CBADRP C[C@]1(CO)CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]1O ZINC001157946481 815490819 /nfs/dbraw/zinc/49/08/19/815490819.db2.gz NNLYVDNRVBIWAI-GMXVVIOVSA-N 2 0 273.377 -0.966 20 0 CBADRP Cc1nc(CCN(C)C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)no1 ZINC001157984377 815494713 /nfs/dbraw/zinc/49/47/13/815494713.db2.gz ZYXSMQMEWPQZKO-GFCCVEGCSA-N 2 0 281.360 -0.294 20 0 CBADRP [NH3+][C@@H]1CCc2nn(-c3cncc(N4CC[NH2+]CC4)n3)cc2C1 ZINC001157990554 815496040 /nfs/dbraw/zinc/49/60/40/815496040.db2.gz UWFIUTLKXWWOIH-GFCCVEGCSA-N 2 0 299.382 -0.112 20 0 CBADRP C[C@]1(O)CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001157997454 815496180 /nfs/dbraw/zinc/49/61/80/815496180.db2.gz OLERDBUAUUOCDT-YPMHNXCESA-N 2 0 267.373 -0.156 20 0 CBADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]([NH3+])CN1)CC2 ZINC001158083280 815502794 /nfs/dbraw/zinc/50/27/94/815502794.db2.gz ZYXWEOZCULHTHZ-ONGXEEELSA-N 2 0 252.362 -0.595 20 0 CBADRP N[C@@]1(C(=O)N2CCC3(CC([NH3+])C3)CC2)CC[NH2+]C1 ZINC001158082763 815502827 /nfs/dbraw/zinc/50/28/27/815502827.db2.gz RAJRCSYWHXYWGX-ZDUSSCGKSA-N 2 0 252.362 -0.593 20 0 CBADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1O)CC2 ZINC001158083274 815502954 /nfs/dbraw/zinc/50/29/54/815502954.db2.gz ZYNXPPUYCIOCGT-QWRGUYRKSA-N 2 0 253.346 -0.703 20 0 CBADRP CCCCC[C@H]([NH2+]C)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101554 815504363 /nfs/dbraw/zinc/50/43/63/815504363.db2.gz JTESTZRMRBFGHZ-SWLSCSKDSA-N 2 0 296.415 -0.155 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(C[C@H]2CCO)CC1 ZINC001158111667 815504934 /nfs/dbraw/zinc/50/49/34/815504934.db2.gz PZGXYXQOGGUODK-OLZOCXBDSA-N 2 0 293.411 -0.194 20 0 CBADRP O=C([C@@H]1C[NH2+]CCN1)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168102 815508381 /nfs/dbraw/zinc/50/83/81/815508381.db2.gz BMWIGHWVLZXVCM-NSHDSACASA-N 2 0 252.362 -0.708 20 0 CBADRP Cc1nc(CC[NH3+])nn1-c1ncnc2c1CC[NH2+]C2 ZINC001158129392 815505954 /nfs/dbraw/zinc/50/59/54/815505954.db2.gz UEXVLRQBYZZVMV-UHFFFAOYSA-N 2 0 259.317 -0.487 20 0 CBADRP Cc1nc(CC[NH3+])nn1-c1ncc(C)c(C2C[NH2+]C2)n1 ZINC001158135023 815505973 /nfs/dbraw/zinc/50/59/73/815505973.db2.gz PDULMTSFSXRLOO-UHFFFAOYSA-N 2 0 273.344 -0.138 20 0 CBADRP Cc1nc(CC[NH3+])nn1-c1ccc(N2CC[NH2+]CC2)nn1 ZINC001158128355 815506077 /nfs/dbraw/zinc/50/60/77/815506077.db2.gz BHBWRFOIDCZNQC-UHFFFAOYSA-N 2 0 288.359 -0.723 20 0 CBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750179 812156930 /nfs/dbraw/zinc/15/69/30/812156930.db2.gz CHJZPGYAYBZEQD-RMRHIDDWSA-N 2 0 299.415 -0.618 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161814 815506815 /nfs/dbraw/zinc/50/68/15/815506815.db2.gz ZSMSJBRGVLDDIN-WCQYABFASA-N 2 0 269.345 -0.379 20 0 CBADRP CCN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774917 812159283 /nfs/dbraw/zinc/15/92/83/812159283.db2.gz WXFAMJKVACCBQZ-JYAVWHMHSA-N 2 0 296.415 -0.537 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114779162 812159857 /nfs/dbraw/zinc/15/98/57/812159857.db2.gz YCNUWMQPMWIYEV-MEWQQHAOSA-N 2 0 255.362 -0.635 20 0 CBADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CCC[C@]12CCC[NH2+]C2 ZINC001158162778 815506853 /nfs/dbraw/zinc/50/68/53/815506853.db2.gz ZNBBHJHPGDDTEV-XPCVCDNBSA-N 2 0 278.400 -0.319 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161624 815506964 /nfs/dbraw/zinc/50/69/64/815506964.db2.gz WKNCKPKWWJVDSJ-YPMHNXCESA-N 3 0 254.378 -0.203 20 0 CBADRP N[C@@]1(C(=O)N2CCC[C@@]23CCC[NH2+]C3)CC[NH2+]C1 ZINC001158159543 815507076 /nfs/dbraw/zinc/50/70/76/815507076.db2.gz DHEWGFMPHMIHDM-OLZOCXBDSA-N 2 0 252.362 -0.578 20 0 CBADRP N[C@@]1(C(=O)N2CCC[C@]23CCC[NH2+]C3)CC[NH2+]C1 ZINC001158159545 815507089 /nfs/dbraw/zinc/50/70/89/815507089.db2.gz DHEWGFMPHMIHDM-STQMWFEESA-N 2 0 252.362 -0.578 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158162499 815507446 /nfs/dbraw/zinc/50/74/46/815507446.db2.gz XYEGFSMVFTUGBV-SWLSCSKDSA-N 2 0 294.399 -0.319 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158196393 815512012 /nfs/dbraw/zinc/51/20/12/815512012.db2.gz LPIHALKYZHNOFU-LBPRGKRZSA-N 2 0 282.388 -0.830 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115080571 812178541 /nfs/dbraw/zinc/17/85/41/812178541.db2.gz AESVYUWYNBZFTG-CZXHOFHRSA-N 2 0 296.415 -0.362 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)N(C)C)C[C@H]21 ZINC001115160163 812182664 /nfs/dbraw/zinc/18/26/64/812182664.db2.gz PVRJMJQEDOOGLB-JYAVWHMHSA-N 2 0 296.415 -0.537 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199318 815512837 /nfs/dbraw/zinc/51/28/37/815512837.db2.gz TYFGBYQBESGNJX-LPEHRKFASA-N 2 0 255.318 -0.770 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115303724 812190641 /nfs/dbraw/zinc/19/06/41/812190641.db2.gz IRAQJQICNYOHDG-KZVDOYCCSA-N 2 0 294.399 -0.739 20 0 CBADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115304102 812190953 /nfs/dbraw/zinc/19/09/53/812190953.db2.gz OJLQPDILDJAAHZ-NMKXLXIOSA-N 2 0 296.415 -0.493 20 0 CBADRP [NH3+][C@@H](CO)Cc1cncn1-c1ccc2c(n1)CC[NH2+]C2 ZINC001158204341 815513851 /nfs/dbraw/zinc/51/38/51/815513851.db2.gz XKYBLJKBSWXACZ-LLVKDONJSA-N 2 0 273.340 -0.225 20 0 CBADRP C[C@]1(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CCC[NH2+]1 ZINC001158179750 815510239 /nfs/dbraw/zinc/51/02/39/815510239.db2.gz NLHNSJXCPSHEGI-NQBHXWOUSA-N 2 0 253.346 -0.425 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158185740 815510289 /nfs/dbraw/zinc/51/02/89/815510289.db2.gz BXNQNQUNSCBYAD-QDYJBQRPSA-N 2 0 263.345 -0.760 20 0 CBADRP O=C([C@H]1CO[C@@H]2C[NH2+]C[C@H]12)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158198169 815511650 /nfs/dbraw/zinc/51/16/50/815511650.db2.gz AGQOOQGZUVZDEU-YBXAARCKSA-N 2 0 251.330 -0.816 20 0 CBADRP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158214765 815514750 /nfs/dbraw/zinc/51/47/50/815514750.db2.gz CIJCCMKANJHCKT-YFKTTZPYSA-N 2 0 267.329 -0.900 20 0 CBADRP CO[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001158216419 815514963 /nfs/dbraw/zinc/51/49/63/815514963.db2.gz ZQBCTFFMXBWKSC-NOOOWODRSA-N 2 0 253.346 -0.284 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158214711 815515123 /nfs/dbraw/zinc/51/51/23/815515123.db2.gz BYNRYURVGSWVRK-TUAOUCFPSA-N 2 0 252.362 -0.805 20 0 CBADRP CC[C@@]([NH3+])(CO)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC001159742539 815592408 /nfs/dbraw/zinc/59/24/08/815592408.db2.gz ATFNXHHKLDYNNM-ZDUSSCGKSA-N 2 0 265.361 -0.040 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158262585 815517782 /nfs/dbraw/zinc/51/77/82/815517782.db2.gz TWWFFKCSNAGEDB-SECBINFHSA-N 2 0 264.333 -0.954 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305641 815519622 /nfs/dbraw/zinc/51/96/22/815519622.db2.gz IPKIYKDEKPQIFD-GARJFASQSA-N 2 0 255.362 -0.051 20 0 CBADRP COC(=O)[C@@H](C[NH3+])C[NH2+][C@H]1CCCN(C(C)=O)C1 ZINC001169578948 820258053 /nfs/dbraw/zinc/25/80/53/820258053.db2.gz HVTCYLQFPXACCP-QWRGUYRKSA-N 2 0 257.334 -0.665 20 0 CBADRP C[C@@H]1C[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001117084375 812363266 /nfs/dbraw/zinc/36/32/66/812363266.db2.gz MMLBUXACTKYUJU-OLZOCXBDSA-N 2 0 298.431 -0.290 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158414265 815526455 /nfs/dbraw/zinc/52/64/55/815526455.db2.gz FFIQJUOCQSIZSK-SDDRHHMPSA-N 2 0 263.345 -0.747 20 0 CBADRP O=C([C@@H]1C[NH2+]CCN1)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158337460 815521438 /nfs/dbraw/zinc/52/14/38/815521438.db2.gz VRSFWKQFIVUSOQ-SOUVJXGZSA-N 2 0 286.379 -0.354 20 0 CBADRP [NH3+][C@@H](C(=O)N1CC[C@@H]2CCO[C@H]2C1)C1CC[NH2+]CC1 ZINC001158339371 815521633 /nfs/dbraw/zinc/52/16/33/815521633.db2.gz OWGKZLZFSCNTQY-KGYLQXTDSA-N 2 0 267.373 -0.049 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+][C@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001158381169 815522724 /nfs/dbraw/zinc/52/27/24/815522724.db2.gz ZDHBGNVXUMDMSN-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2cnn(C)n2)CC[N@@H+]1C ZINC001158380713 815523365 /nfs/dbraw/zinc/52/33/65/815523365.db2.gz VDXPPOUYXCHPGA-DGCLKSJQSA-N 2 0 294.403 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812460380 /nfs/dbraw/zinc/46/03/80/812460380.db2.gz VLSUBRBUUVGRCN-JHJVBQTASA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC001118037192 812463845 /nfs/dbraw/zinc/46/38/45/812463845.db2.gz ATLIBSSKVNOIJR-WZRBSPASSA-N 2 0 296.415 -0.301 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158422094 815527880 /nfs/dbraw/zinc/52/78/80/815527880.db2.gz HUVMLLOZXYGBIF-IZJFKLNOSA-N 2 0 259.375 -0.955 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158423039 815528175 /nfs/dbraw/zinc/52/81/75/815528175.db2.gz MENTZHNBDXDTBS-NXEZZACHSA-N 2 0 253.350 -0.397 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158424675 815528358 /nfs/dbraw/zinc/52/83/58/815528358.db2.gz UBZVJBUSTSUGCT-WGBDABJCSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC001118140048 812477904 /nfs/dbraw/zinc/47/79/04/812477904.db2.gz GWHGKLHXYOZFLT-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC001118157417 812482666 /nfs/dbraw/zinc/48/26/66/812482666.db2.gz PVJJHADRDGRCAZ-DTWKUNHWSA-N 2 0 255.318 -0.865 20 0 CBADRP c1ncc(N2CC[N@H+]3CC[C@@H]3C2)nc1N1CC[NH2+]CC1 ZINC001158434459 815529546 /nfs/dbraw/zinc/52/95/46/815529546.db2.gz RUSHXKBLEJIFRJ-GFCCVEGCSA-N 2 0 274.372 -0.220 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158426426 815529598 /nfs/dbraw/zinc/52/95/98/815529598.db2.gz ZVVMVCAOEVKSHQ-WYUUTHIRSA-N 2 0 281.356 -0.652 20 0 CBADRP C[C@H]([NH3+])CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001118201930 812494218 /nfs/dbraw/zinc/49/42/18/812494218.db2.gz MJNAMTOHTOMJFR-IUCAKERBSA-N 2 0 252.322 -0.720 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)c2cn(CCCC[NH3+])nn2)CC[NH2+]1 ZINC001118211433 812497940 /nfs/dbraw/zinc/49/79/40/812497940.db2.gz IIHBQDICNQGPOX-GHMZBOCLSA-N 2 0 280.376 -0.113 20 0 CBADRP O[C@@H]1CCC[C@H]1[NH+]1CCN(CCN2CC[NH2+]CC2)CC1 ZINC001118223231 812498792 /nfs/dbraw/zinc/49/87/92/812498792.db2.gz OWNOLKPPBBMXMB-HUUCEWRRSA-N 2 0 282.432 -0.577 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001118229139 812500158 /nfs/dbraw/zinc/50/01/58/812500158.db2.gz XQNLLUYQFHLAEM-GHMZBOCLSA-N 2 0 266.349 -0.362 20 0 CBADRP [NH3+]C1(c2noc(CN3CCNCC3=O)n2)CCC1 ZINC001118237895 812502980 /nfs/dbraw/zinc/50/29/80/812502980.db2.gz PJAKSKSSTXKJPD-UHFFFAOYSA-N 2 0 251.290 -0.661 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@@H](C[NH3+])C1)c1cnn(C)c1 ZINC001118255865 812510037 /nfs/dbraw/zinc/51/00/37/812510037.db2.gz HCFICCQXWPJUTF-ONGXEEELSA-N 2 0 251.334 -0.512 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001118264377 812512248 /nfs/dbraw/zinc/51/22/48/812512248.db2.gz FFOCAXSUYLENFT-ZMLRMANQSA-N 2 0 265.361 -0.471 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC001118271228 812515643 /nfs/dbraw/zinc/51/56/43/812515643.db2.gz XJRLXOXVSWUIGN-NXEZZACHSA-N 2 0 268.365 -0.127 20 0 CBADRP [NH3+]CC(=O)NCC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001118282190 812517935 /nfs/dbraw/zinc/51/79/35/812517935.db2.gz USIGZLRCSUNGEJ-UHFFFAOYSA-N 2 0 268.361 -0.948 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CCCC[NH2+]1 ZINC001158496694 815534942 /nfs/dbraw/zinc/53/49/42/815534942.db2.gz YMLLOXLLYKAVQH-ZDEQEGDKSA-N 2 0 295.383 -0.120 20 0 CBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]([NH3+])C(C)C ZINC001158496453 815535629 /nfs/dbraw/zinc/53/56/29/815535629.db2.gz NNUKHACTCUYXSR-NNYUYHANSA-N 2 0 283.372 -0.278 20 0 CBADRP [NH3+]C1([C@@H]2CN(C(=O)CNC3CC[NH2+]CC3)C[C@H]2CF)CC1 ZINC001158567643 815538432 /nfs/dbraw/zinc/53/84/32/815538432.db2.gz JEXMPIOIGRDKQH-DGCLKSJQSA-N 2 0 298.406 -0.137 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)CC[NH2+]C1 ZINC001158546761 815538461 /nfs/dbraw/zinc/53/84/61/815538461.db2.gz LSSPNFQDCWHYIF-CTHBEMJXSA-N 2 0 279.384 -0.035 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158566636 815538500 /nfs/dbraw/zinc/53/85/00/815538500.db2.gz BXLYHIGRSQDUCO-IVZWLZJFSA-N 2 0 259.325 -0.769 20 0 CBADRP COCCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158508278 815536053 /nfs/dbraw/zinc/53/60/53/815536053.db2.gz UYPOWPGOZJFIJR-KGLIPLIRSA-N 2 0 299.415 -0.018 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001118505935 812562083 /nfs/dbraw/zinc/56/20/83/812562083.db2.gz IYQXUNPWEIOKIL-VXGBXAGGSA-N 2 0 255.362 -0.192 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001118507288 812563643 /nfs/dbraw/zinc/56/36/43/812563643.db2.gz VVJQNTCVVLJCCT-MRVPVSSYSA-N 2 0 253.306 -0.745 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC001118507371 812564023 /nfs/dbraw/zinc/56/40/23/812564023.db2.gz XQMJZQGXICRVAD-USZNOCQGSA-N 2 0 255.362 -0.193 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001118507263 812564038 /nfs/dbraw/zinc/56/40/38/812564038.db2.gz UOHLXPAHZAMWDT-SSDOTTSWSA-N 2 0 265.317 -0.602 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158534877 815537407 /nfs/dbraw/zinc/53/74/07/815537407.db2.gz VBRSBXVPGDJIDI-HKUMRIAESA-N 3 0 282.388 -0.968 20 0 CBADRP C[NH2+][C@@H](C(=O)N1CC2CC1(C[NH3+])C2)c1cnn(C)c1 ZINC001118569512 812579104 /nfs/dbraw/zinc/57/91/04/812579104.db2.gz GZZJDGWYYVGILJ-DMLGSKKGSA-N 2 0 263.345 -0.370 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001118571871 812580563 /nfs/dbraw/zinc/58/05/63/812580563.db2.gz KIVNCPQTSDEWCT-ZETCQYMHSA-N 2 0 253.306 -0.887 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158546912 815538663 /nfs/dbraw/zinc/53/86/63/815538663.db2.gz NEBAZCOTNRGBLU-ORXSELOVSA-N 2 0 289.326 -0.052 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158577058 815539297 /nfs/dbraw/zinc/53/92/97/815539297.db2.gz GDJVCKAMTCCDFA-AEJSXWLSSA-N 2 0 258.341 -0.802 20 0 CBADRP [NH3+]CCNCC(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158579736 815539413 /nfs/dbraw/zinc/53/94/13/815539413.db2.gz XGXFIRIZYTWFQI-ZJUUUORDSA-N 2 0 258.341 -0.930 20 0 CBADRP [NH3+]C1([C@@H]2CN(C(=O)C[C@@H]3COCC[NH2+]3)C[C@@H]2CF)CC1 ZINC001158576801 815539491 /nfs/dbraw/zinc/53/94/91/815539491.db2.gz DQGPYLCZBWARGG-QJPTWQEYSA-N 2 0 285.363 -0.100 20 0 CBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3C[NH2+]CCN3)C[C@@H]2CF)CC1 ZINC001158578107 815539697 /nfs/dbraw/zinc/53/96/97/815539697.db2.gz KJENNJXZPLPVGX-HBNTYKKESA-N 2 0 270.352 -0.917 20 0 CBADRP [NH3+]CCNCC(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158579734 815539717 /nfs/dbraw/zinc/53/97/17/815539717.db2.gz XGXFIRIZYTWFQI-UWVGGRQHSA-N 2 0 258.341 -0.930 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(c1cc(C[NH3+])ncn1)CC2 ZINC001158640211 815542231 /nfs/dbraw/zinc/54/22/31/815542231.db2.gz XRVGBKJGICXSBJ-FZMZJTMJSA-N 2 0 291.355 -0.333 20 0 CBADRP C[C@H](CCC[NH3+])NC(=O)NC1(C[NH3+])CCOCC1 ZINC001118862118 812644711 /nfs/dbraw/zinc/64/47/11/812644711.db2.gz UYSDFPCTSOXRKZ-SNVBAGLBSA-N 2 0 258.366 -0.079 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCCC(=O)CC1 ZINC001158661928 815543187 /nfs/dbraw/zinc/54/31/87/815543187.db2.gz ZRZRUAVBZCPZCR-LLVKDONJSA-N 2 0 251.330 -0.623 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1CC(=O)N1CC[NH2+]CC1 ZINC001118896800 812656678 /nfs/dbraw/zinc/65/66/78/812656678.db2.gz GIYNVMQBPCYCNT-LBPRGKRZSA-N 2 0 254.378 -0.652 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC001118903621 812658067 /nfs/dbraw/zinc/65/80/67/812658067.db2.gz UWHMTMREAXPUON-WOPDTQHZSA-N 2 0 284.404 -0.409 20 0 CBADRP COCC[C@H]([NH3+])Cc1cn(C[C@H]2C[NH2+]CCO2)nn1 ZINC001118917864 812661574 /nfs/dbraw/zinc/66/15/74/812661574.db2.gz PLVMKEMQYIYNDH-CMPLNLGQSA-N 2 0 269.349 -0.827 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001118917980 812662009 /nfs/dbraw/zinc/66/20/09/812662009.db2.gz RIXBHYPZMAFSQO-JTQLQIEISA-N 2 0 296.375 -0.811 20 0 CBADRP [NH3+]C1(CNC(=O)NCCCN2CC[NH2+]CC2)CCOCC1 ZINC001118921557 812663219 /nfs/dbraw/zinc/66/32/19/812663219.db2.gz XQBZRSNKFXELCI-UHFFFAOYSA-N 2 0 299.419 -0.911 20 0 CBADRP NC(=O)c1cn(C2CC[NH+](CCC[NH3+])CC2)nn1 ZINC001118958404 812676862 /nfs/dbraw/zinc/67/68/62/812676862.db2.gz JPTZAZGXBZPGNZ-UHFFFAOYSA-N 2 0 252.322 -0.637 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001118964045 812678086 /nfs/dbraw/zinc/67/80/86/812678086.db2.gz XOWDRZCGEJKZHO-NWDGAFQWSA-N 2 0 282.388 -0.511 20 0 CBADRP c1c(C2CC[NH2+]CC2)nnn1C[C@@H]1C[NH2+]CCO1 ZINC001118979456 812682031 /nfs/dbraw/zinc/68/20/31/812682031.db2.gz UGNSOHQQPIDGSU-NSHDSACASA-N 2 0 251.334 -0.267 20 0 CBADRP CN1CC[NH+](C2CCN(C[C@H]3C[NH2+]CCO3)CC2)CC1 ZINC001118994068 812686572 /nfs/dbraw/zinc/68/65/72/812686572.db2.gz OGIBPQPQLKQIKK-OAHLLOKOSA-N 2 0 282.432 -0.313 20 0 CBADRP O=C(CN1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC001118995566 812686889 /nfs/dbraw/zinc/68/68/89/812686889.db2.gz HFAKMSCYVKTXFM-RYUDHWBXSA-N 2 0 252.362 -0.756 20 0 CBADRP [NH3+][C@@H]1CN(c2cc(C3C[NH2+]C3)ncn2)CC12COC2 ZINC001158768443 815546505 /nfs/dbraw/zinc/54/65/05/815546505.db2.gz CKNSFXVPHRLSDY-LLVKDONJSA-N 2 0 261.329 -0.673 20 0 CBADRP CS(=O)(=O)N1CCC([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001119031375 812693001 /nfs/dbraw/zinc/69/30/01/812693001.db2.gz MZTNCISCVIQVJM-AOOOYVTPSA-N 2 0 261.391 -0.263 20 0 CBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)C1([NH3+])CC1)CC2 ZINC001158891369 815550120 /nfs/dbraw/zinc/55/01/20/815550120.db2.gz YAYQGGJJUFTLPB-UHFFFAOYSA-N 2 0 294.399 -0.319 20 0 CBADRP CN1CCO[C@H]2CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C[C@H]21 ZINC001158803836 815548543 /nfs/dbraw/zinc/54/85/43/815548543.db2.gz IYJUXPCXFHSMSD-XQQFMLRXSA-N 2 0 284.404 -0.626 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001119238669 812728987 /nfs/dbraw/zinc/72/89/87/812728987.db2.gz BCQVCWPYMSHHOO-JGZJWPJOSA-N 2 0 265.361 -0.051 20 0 CBADRP C[NH2+]CCOCCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001119242685 812730319 /nfs/dbraw/zinc/73/03/19/812730319.db2.gz FVFSJJWNAOILRA-SNVBAGLBSA-N 2 0 281.360 -0.548 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001119241973 812730410 /nfs/dbraw/zinc/73/04/10/812730410.db2.gz QWAHUQXCZOCBEJ-SECBINFHSA-N 2 0 266.349 -0.378 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[C@H]1CC[NH2+]C1 ZINC001119242956 812730767 /nfs/dbraw/zinc/73/07/67/812730767.db2.gz JSUBTBJWWJIDDI-NEPJUHHUSA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)c2c(C[NH3+])cnn2C)C[NH2+]1 ZINC001119243412 812731547 /nfs/dbraw/zinc/73/15/47/812731547.db2.gz RHLHGABZHKXWDA-WPRPVWTQSA-N 2 0 251.334 -0.251 20 0 CBADRP CC(C)[N@H+](C)Cc1[nH]nc2c1CCN(C(=O)[C@@H](N)C[NH3+])C2 ZINC001158855171 815549563 /nfs/dbraw/zinc/54/95/63/815549563.db2.gz FJAXZTDGUTVXMH-NSHDSACASA-N 2 0 294.403 -0.579 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001119294453 812743870 /nfs/dbraw/zinc/74/38/70/812743870.db2.gz BWXVXUVRGOSXLV-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001119294454 812744253 /nfs/dbraw/zinc/74/42/53/812744253.db2.gz BWXVXUVRGOSXLV-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001119295861 812745350 /nfs/dbraw/zinc/74/53/50/812745350.db2.gz YVVWCNMFHKSSDY-XQQFMLRXSA-N 2 0 296.415 -0.027 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC001119295857 812745694 /nfs/dbraw/zinc/74/56/94/812745694.db2.gz HFNKWMXJPVRZSE-PWSUYJOCSA-N 2 0 262.313 -0.218 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC001119296525 812745714 /nfs/dbraw/zinc/74/57/14/812745714.db2.gz VBFRVVFQYRIXGJ-QWHCGFSZSA-N 2 0 286.395 -0.312 20 0 CBADRP [NH3+]Cc1ncc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cn1 ZINC001119297367 812746220 /nfs/dbraw/zinc/74/62/20/812746220.db2.gz KCJVJRFLCFDXCT-GXSJLCMTSA-N 2 0 261.329 -0.241 20 0 CBADRP C[C@H](NC(=O)[C@H](N)CC[NH+](C)C)C1CC[NH2+]CC1 ZINC001119295756 812746330 /nfs/dbraw/zinc/74/63/30/812746330.db2.gz NFRRGDWPTGMVFM-CMPLNLGQSA-N 2 0 256.394 -0.230 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@@H]2CC[NH2+]C23CCC3)nn1 ZINC001119297870 812747011 /nfs/dbraw/zinc/74/70/11/812747011.db2.gz SXUNMRBFSBEZDQ-SNVBAGLBSA-N 2 0 264.333 -0.749 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001119297493 812747291 /nfs/dbraw/zinc/74/72/91/812747291.db2.gz MQIQHJCJIMOCMR-MNOVXSKESA-N 2 0 253.346 -0.295 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC001119297796 812747296 /nfs/dbraw/zinc/74/72/96/812747296.db2.gz RSKPFCPMTLDXNU-UHFFFAOYSA-N 2 0 284.404 -0.881 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)nn1 ZINC001119300584 812748819 /nfs/dbraw/zinc/74/88/19/812748819.db2.gz ACGHLVBSORPNTA-GXSJLCMTSA-N 2 0 264.333 -0.797 20 0 CBADRP [NH3+]CCCCC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001119302418 812749176 /nfs/dbraw/zinc/74/91/76/812749176.db2.gz OOSDWZWCUAFJBD-UHFFFAOYSA-N 2 0 278.360 -0.046 20 0 CBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1CC[NH2+]1)CC2 ZINC001158890199 815551075 /nfs/dbraw/zinc/55/10/75/815551075.db2.gz BJXPWEVUSDJCKP-LBPRGKRZSA-N 2 0 294.399 -0.449 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)[C@@H]1C[NH2+]CCO1 ZINC001119324505 812755025 /nfs/dbraw/zinc/75/50/25/812755025.db2.gz GKTGXPFVRXSDPS-BDAKNGLRSA-N 2 0 263.288 -0.664 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)[C@H]1C[NH2+]CCO1 ZINC001119324506 812755592 /nfs/dbraw/zinc/75/55/92/812755592.db2.gz GKTGXPFVRXSDPS-DTWKUNHWSA-N 2 0 263.288 -0.664 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC001119343727 812761005 /nfs/dbraw/zinc/76/10/05/812761005.db2.gz LZETWIVXSHSJAU-RYUDHWBXSA-N 2 0 280.372 -0.840 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[NH+]1CCCCC1 ZINC001119342919 812761454 /nfs/dbraw/zinc/76/14/54/812761454.db2.gz ZDGACJNBXHTHQL-UPJWGTAASA-N 2 0 296.415 -0.170 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC001119355459 812763848 /nfs/dbraw/zinc/76/38/48/812763848.db2.gz SHQVFYYLBBTNAO-OPRDCNLKSA-N 2 0 268.361 -0.903 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119361230 812766655 /nfs/dbraw/zinc/76/66/55/812766655.db2.gz VCDMBYBCXUYLKP-AVGNSLFASA-N 2 0 296.415 -0.170 20 0 CBADRP CCN(C(=O)C[NH2+]C[C@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC001119381758 812773136 /nfs/dbraw/zinc/77/31/36/812773136.db2.gz YKEKJLZBELPMKE-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001119417851 812779354 /nfs/dbraw/zinc/77/93/54/812779354.db2.gz VCDMBYBCXUYLKP-RWMBFGLXSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)NC/C=C\C[NH3+])C[C@H]1C[NH+](C)C ZINC001119477374 812790291 /nfs/dbraw/zinc/79/02/91/812790291.db2.gz VJXLFVPCIWUZGL-HLMASZERSA-N 3 0 297.447 -0.118 20 0 CBADRP c1ncc(N2CC[NH2+]CC2)nc1NC[C@@H]1COCC[NH2+]1 ZINC001159043416 815556079 /nfs/dbraw/zinc/55/60/79/815556079.db2.gz CKDHQTBVNLYPOK-LLVKDONJSA-N 2 0 278.360 -0.714 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCCC[NH2+]CCO ZINC001159148926 815560655 /nfs/dbraw/zinc/56/06/55/815560655.db2.gz PGUVSFITWMKBCY-LLVKDONJSA-N 2 0 263.357 -0.246 20 0 CBADRP O[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C1(O)CCOCC1 ZINC001119746337 812881492 /nfs/dbraw/zinc/88/14/92/812881492.db2.gz MLFLTHSOHXIHCC-IJLUTSLNSA-N 2 0 256.346 -0.960 20 0 CBADRP CS(=O)(=O)N1CCC([NH2+][C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001120255251 812942590 /nfs/dbraw/zinc/94/25/90/812942590.db2.gz BYPGQURNPKCXEN-HOMQSWHASA-N 2 0 261.391 -0.263 20 0 CBADRP C[C@@H]1COC[C@H]1[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001120275540 812946740 /nfs/dbraw/zinc/94/67/40/812946740.db2.gz OFYCHUUAAHGFOW-FRRDWIJNSA-N 2 0 257.378 -0.781 20 0 CBADRP C[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001120275542 812946848 /nfs/dbraw/zinc/94/68/48/812946848.db2.gz OFYCHUUAAHGFOW-JHJVBQTASA-N 2 0 257.378 -0.781 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001120432028 812964804 /nfs/dbraw/zinc/96/48/04/812964804.db2.gz CMBZKIQSJSUALD-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)NC2CC[NH2+]CC2)CCOCC1 ZINC001120451342 812968658 /nfs/dbraw/zinc/96/86/58/812968658.db2.gz BVBNUSVMZPJYFU-JTQLQIEISA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH+]1CCC(OCC(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC001120453941 812969108 /nfs/dbraw/zinc/96/91/08/812969108.db2.gz SNSOCXODBYSDFW-LLVKDONJSA-N 2 0 255.362 -0.096 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC001120516709 812979840 /nfs/dbraw/zinc/97/98/40/812979840.db2.gz IOIYCNPKQVOPBK-UHFFFAOYSA-N 2 0 282.388 -0.416 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC[N@@H+]1C ZINC001120517704 812981074 /nfs/dbraw/zinc/98/10/74/812981074.db2.gz UVZZOCXXYGERDA-AGIUHOORSA-N 2 0 296.415 -0.217 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC001120545493 812987819 /nfs/dbraw/zinc/98/78/19/812987819.db2.gz IFMBKBABENIGEG-GMTAPVOTSA-N 2 0 256.350 -0.599 20 0 CBADRP [NH3+]C[C@H](NC(=O)N1CCNCC[NH2+]CC1)C1CCCC1 ZINC001120544045 812988093 /nfs/dbraw/zinc/98/80/93/812988093.db2.gz MGZWSSKYSKTRLM-ZDUSSCGKSA-N 2 0 283.420 -0.292 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001120546630 812988176 /nfs/dbraw/zinc/98/81/76/812988176.db2.gz UIKMPMUBYXADEO-NWDGAFQWSA-N 2 0 269.393 -0.682 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC[C@]12CC[NH2+]C2 ZINC001120545753 812988233 /nfs/dbraw/zinc/98/82/33/812988233.db2.gz LOVJDWFBSZRQNR-MPPDQPJWSA-N 2 0 250.346 -0.258 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC001120550568 812988774 /nfs/dbraw/zinc/98/87/74/812988774.db2.gz IDRAWJWDAXPLDP-MNOVXSKESA-N 2 0 256.350 -0.632 20 0 CBADRP C[NH+]1CCN(CCC[NH2+]C[C@@H](O)C2(O)CCCC2)CC1 ZINC001120562846 812991065 /nfs/dbraw/zinc/99/10/65/812991065.db2.gz GATOOHICKUXABD-CQSZACIVSA-N 2 0 285.432 -0.121 20 0 CBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001120579534 812995756 /nfs/dbraw/zinc/99/57/56/812995756.db2.gz SWGLOQNZBKIYHO-ROHXPCBUSA-N 2 0 250.346 -0.117 20 0 CBADRP CC1(C)CN(C(=O)NCCN2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001120625099 813000725 /nfs/dbraw/zinc/00/07/25/813000725.db2.gz GRRFVFZNPXDULO-NSHDSACASA-N 2 0 269.393 -0.730 20 0 CBADRP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001120632944 813002902 /nfs/dbraw/zinc/00/29/02/813002902.db2.gz HHGUJKKIHDXQKO-DMDPSCGWSA-N 2 0 268.361 -0.502 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[C@H]1F ZINC001120667989 813008741 /nfs/dbraw/zinc/00/87/41/813008741.db2.gz DQDBGYYPBMEMOP-VPJKUYQRSA-N 2 0 256.325 -0.040 20 0 CBADRP CNC(=O)C[NH2+]C1CC2(CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001121696081 813074689 /nfs/dbraw/zinc/07/46/89/813074689.db2.gz DZFBSKLFUNCAJG-UHFFFAOYSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC001121703500 813075063 /nfs/dbraw/zinc/07/50/63/813075063.db2.gz VGEYNYPGPNADAM-UHFFFAOYSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC001121809848 813076996 /nfs/dbraw/zinc/07/69/96/813076996.db2.gz ASBMRNSOYSDIPH-MPKXVKKWSA-N 2 0 266.389 -0.382 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC001121810421 813077562 /nfs/dbraw/zinc/07/75/62/813077562.db2.gz JEMOPWKOZVSROB-UTUOFQBUSA-N 2 0 252.362 -0.805 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC001121827093 813077749 /nfs/dbraw/zinc/07/77/49/813077749.db2.gz RICZMEQBXSVSSK-SRVKXCTJSA-N 2 0 267.373 -0.049 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001121817275 813078439 /nfs/dbraw/zinc/07/84/39/813078439.db2.gz LKJDJQLVMPWUMV-USZNOCQGSA-N 2 0 255.362 -0.444 20 0 CBADRP Cc1cnc(NCCOCCOCC[NH3+])nc1C1C[NH2+]C1 ZINC001159453032 815574557 /nfs/dbraw/zinc/57/45/57/815574557.db2.gz MXIPRSUSJMBHRX-UHFFFAOYSA-N 2 0 295.387 -0.124 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)CC[NH2+]1 ZINC001121898182 813086644 /nfs/dbraw/zinc/08/66/44/813086644.db2.gz VNHNGYFEYFFLKF-LLVKDONJSA-N 2 0 255.362 -0.489 20 0 CBADRP CC[N@H+](CCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1)C(C)C ZINC001121917801 813090874 /nfs/dbraw/zinc/09/08/74/813090874.db2.gz ZBCBYPJOOWFWEK-AAEUAGOBSA-N 2 0 257.378 -0.054 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001121939423 813092915 /nfs/dbraw/zinc/09/29/15/813092915.db2.gz JHIVEGVGPKWVBT-DYEKYZERSA-N 2 0 269.389 -0.195 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC001121939646 813093806 /nfs/dbraw/zinc/09/38/06/813093806.db2.gz LJMOBPMAVUMJTH-DCAQKATOSA-N 2 0 255.362 -0.539 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC001121946280 813094894 /nfs/dbraw/zinc/09/48/94/813094894.db2.gz OTDWBYZNFYWSJV-PWSUYJOCSA-N 2 0 263.345 -0.334 20 0 CBADRP O=C(NCC[NH+]1CCCC1)[C@H]1[NH2+]CC12CCOCC2 ZINC001121981826 813099312 /nfs/dbraw/zinc/09/93/12/813099312.db2.gz NYUCRRBZJZOOHQ-GFCCVEGCSA-N 2 0 267.373 -0.033 20 0 CBADRP NOCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001121992548 813100845 /nfs/dbraw/zinc/10/08/45/813100845.db2.gz OKTULOPUEMHRQB-UHFFFAOYSA-N 2 0 292.383 -0.014 20 0 CBADRP CC[N@@H+]1CCC[C@H](CNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001121989672 813101810 /nfs/dbraw/zinc/10/18/10/813101810.db2.gz VKKFOAFRXVDNBO-BZPMIXESSA-N 2 0 269.389 -0.053 20 0 CBADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001121996786 813102335 /nfs/dbraw/zinc/10/23/35/813102335.db2.gz NOMXGLNXDPBJHZ-QWHCGFSZSA-N 2 0 296.415 -0.358 20 0 CBADRP CC1(C)CN(CCNC(=O)[C@@H]2C[C@@H]2C[NH3+])CCO1 ZINC001121997561 813102415 /nfs/dbraw/zinc/10/24/15/813102415.db2.gz WWBHHLFHJREVRZ-GHMZBOCLSA-N 2 0 255.362 -0.192 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CNCC[NH3+])[C@H](C)C1 ZINC001122002535 813102848 /nfs/dbraw/zinc/10/28/48/813102848.db2.gz GNAWOFHLFROBEP-NEPJUHHUSA-N 2 0 256.394 -0.277 20 0 CBADRP COC[C@H]([NH3+])C(=O)NCC1([NH+](C)C)CCOCC1 ZINC001122005349 813103623 /nfs/dbraw/zinc/10/36/23/813103623.db2.gz YMCHNZYHHHKSQW-JTQLQIEISA-N 2 0 259.350 -0.813 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC001122009526 813104232 /nfs/dbraw/zinc/10/42/32/813104232.db2.gz SAEBGAGZKNHGPS-BFHYXJOUSA-N 2 0 280.416 -0.119 20 0 CBADRP [NH3+]C1(CNC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)CCC1 ZINC001122011735 813104488 /nfs/dbraw/zinc/10/44/88/813104488.db2.gz UFMRZTNUILRVDQ-CYBMUJFWSA-N 2 0 266.345 -0.118 20 0 CBADRP O=C(NCC1(O)C[NH2+]C1)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC001122054839 813110450 /nfs/dbraw/zinc/11/04/50/813110450.db2.gz AJQWYZRWFXPDBY-UTUOFQBUSA-N 2 0 267.373 -0.252 20 0 CBADRP O=C(CC[C@H]1CC[NH2+]C1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001122063497 813110758 /nfs/dbraw/zinc/11/07/58/813110758.db2.gz LCNNDUVKCAWJFK-QWRGUYRKSA-N 2 0 253.346 -0.377 20 0 CBADRP O=C(CC[C@H]1CC[NH2+]C1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001122063498 813110772 /nfs/dbraw/zinc/11/07/72/813110772.db2.gz LCNNDUVKCAWJFK-WDEREUQCSA-N 2 0 253.346 -0.377 20 0 CBADRP [NH3+]Cc1cc(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)co1 ZINC001122064446 813111855 /nfs/dbraw/zinc/11/18/55/813111855.db2.gz YHEKKOIXKYPTSU-VIFPVBQESA-N 2 0 251.286 -0.401 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CCCO1 ZINC001122067263 813111955 /nfs/dbraw/zinc/11/19/55/813111955.db2.gz BPWWLLDIEQPILH-USZNOCQGSA-N 2 0 253.346 -0.582 20 0 CBADRP C[NH2+]CCCCC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC001122064917 813112035 /nfs/dbraw/zinc/11/20/35/813112035.db2.gz CGJRBYVBYNAELM-UHFFFAOYSA-N 2 0 286.420 -0.146 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H]1COC2(C[NH2+]C2)C1)[NH+](C)C ZINC001122064136 813112044 /nfs/dbraw/zinc/11/20/44/813112044.db2.gz UJWOBICEGZDRRW-MNOVXSKESA-N 2 0 255.362 -0.180 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CCCO1 ZINC001122067266 813112067 /nfs/dbraw/zinc/11/20/67/813112067.db2.gz BPWWLLDIEQPILH-WYUUTHIRSA-N 2 0 253.346 -0.582 20 0 CBADRP [NH3+][C@@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)c1cccc(Cl)c1 ZINC001122076641 813112914 /nfs/dbraw/zinc/11/29/14/813112914.db2.gz BWFPVMIWICYJPZ-OUAUKWLOSA-N 2 0 269.732 -0.211 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001122073280 813113044 /nfs/dbraw/zinc/11/30/44/813113044.db2.gz FVMAVPPDCCTEPL-GVXVVHGQSA-N 2 0 255.362 -0.252 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001122073279 813113522 /nfs/dbraw/zinc/11/35/22/813113522.db2.gz FVMAVPPDCCTEPL-GMXVVIOVSA-N 2 0 255.362 -0.252 20 0 CBADRP O=C(N1CCOC2(C[NH2+]C2)C1)C12CCC(CC1)[NH2+]2 ZINC001122081439 813114557 /nfs/dbraw/zinc/11/45/57/813114557.db2.gz CZIWRLCOCRSPDY-UHFFFAOYSA-N 2 0 251.330 -0.528 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001122093683 813115289 /nfs/dbraw/zinc/11/52/89/813115289.db2.gz DGHCRSCZLRQLPJ-NEPJUHHUSA-N 2 0 255.362 -0.299 20 0 CBADRP [NH3+]Cc1ccc(C(=O)N2CCC[C@H]([NH2+]CCO)C2)o1 ZINC001122093655 813115580 /nfs/dbraw/zinc/11/55/80/813115580.db2.gz CZDGCIHXKJZTCB-JTQLQIEISA-N 2 0 267.329 -0.075 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001122094809 813116030 /nfs/dbraw/zinc/11/60/30/813116030.db2.gz PUDAVTGRNPCQPN-PWSUYJOCSA-N 2 0 255.362 -0.300 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C3(C[NH3+])CC(O)C3)CC[C@H]21 ZINC001122108364 813119001 /nfs/dbraw/zinc/11/90/01/813119001.db2.gz PJZMHLAYVKDYRY-WDBLDGLGSA-N 2 0 267.373 -0.361 20 0 CBADRP [NH3+][C@@H](CC1CC1)C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001122108198 813119327 /nfs/dbraw/zinc/11/93/27/813119327.db2.gz FHAROFYERWUVOH-CABZTGNLSA-N 2 0 252.318 -0.891 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CNCC[NH3+])C1 ZINC001122136694 813122541 /nfs/dbraw/zinc/12/25/41/813122541.db2.gz OSWISXSZDCGNDT-LLVKDONJSA-N 2 0 256.394 -0.229 20 0 CBADRP O=C(NCC1(O)C[NH2+]C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001122135372 813122822 /nfs/dbraw/zinc/12/28/22/813122822.db2.gz BBQDZYIBWUCKQH-UHFFFAOYSA-N 2 0 261.325 -0.604 20 0 CBADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001122143106 813123532 /nfs/dbraw/zinc/12/35/32/813123532.db2.gz HMZZLFQUDMZQQV-MNOVXSKESA-N 2 0 255.362 -0.003 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001122143140 813123805 /nfs/dbraw/zinc/12/38/05/813123805.db2.gz IDINZOFMLDTHJR-UWVGGRQHSA-N 2 0 253.346 -0.521 20 0 CBADRP [NH3+]CCc1ccc(C(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC001122172212 813126754 /nfs/dbraw/zinc/12/67/54/813126754.db2.gz UHVIIQALGSEWHE-CYBMUJFWSA-N 2 0 263.341 -0.094 20 0 CBADRP C[NH2+]CCOCCNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001122166624 813127377 /nfs/dbraw/zinc/12/73/77/813127377.db2.gz CZMYUXMEORZCGK-UHFFFAOYSA-N 2 0 284.360 -0.763 20 0 CBADRP [NH3+]CCCCCCC(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001122190973 813130347 /nfs/dbraw/zinc/13/03/47/813130347.db2.gz SPFDXIBLWZKWKW-CYBMUJFWSA-N 2 0 268.361 -0.109 20 0 CBADRP C[NH+](C)CC(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001122201664 813132449 /nfs/dbraw/zinc/13/24/49/813132449.db2.gz CIOFKCDXGRQMMO-LLVKDONJSA-N 2 0 255.362 -0.096 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC001122205251 813132860 /nfs/dbraw/zinc/13/28/60/813132860.db2.gz DJROCZKNYNVBHR-CYBMUJFWSA-N 2 0 255.362 -0.360 20 0 CBADRP [NH3+]CCCN(CC(F)(F)F)C(=O)C[C@H](O)C[NH3+] ZINC001122214289 813133717 /nfs/dbraw/zinc/13/37/17/813133717.db2.gz LVJORDGOOREJEM-ZETCQYMHSA-N 2 0 257.256 -0.564 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCN1C ZINC001122214931 813133788 /nfs/dbraw/zinc/13/37/88/813133788.db2.gz QVHSDFPRVYBSGQ-VXGBXAGGSA-N 2 0 254.378 -0.510 20 0 CBADRP CC(C)[C@H](C(=O)N1CCC[C@@]([NH3+])(CO)C1)[C@H](C)[NH3+] ZINC001122206275 813133853 /nfs/dbraw/zinc/13/38/53/813133853.db2.gz WYYIIWPFWJXUHW-GVXVVHGQSA-N 2 0 257.378 -0.082 20 0 CBADRP [NH3+]CCCN(CC(F)(F)F)C(=O)C[C@@H](O)C[NH3+] ZINC001122214288 813134081 /nfs/dbraw/zinc/13/40/81/813134081.db2.gz LVJORDGOOREJEM-SSDOTTSWSA-N 2 0 257.256 -0.564 20 0 CBADRP COC1(C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC[NH2+]CC1 ZINC001122226629 813136393 /nfs/dbraw/zinc/13/63/93/813136393.db2.gz KGFYLXZVBKTGPS-MNOVXSKESA-N 2 0 255.362 -0.273 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC001122238603 813137550 /nfs/dbraw/zinc/13/75/50/813137550.db2.gz HUGBPIMUUJALLQ-LBPRGKRZSA-N 2 0 254.378 -0.332 20 0 CBADRP CN(C(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C1(C[NH3+])CCOCC1 ZINC001122269273 813138841 /nfs/dbraw/zinc/13/88/41/813138841.db2.gz LIGZIPWZWCRGSK-WCQYABFASA-N 2 0 267.373 -0.048 20 0 CBADRP C[C@@H](Nc1cc(C2C[NH2+]C2)ncn1)[C@H]1C[NH2+]CCO1 ZINC001159502960 815579596 /nfs/dbraw/zinc/57/95/96/815579596.db2.gz RHFDWHJKSWMSSY-BXKDBHETSA-N 2 0 263.345 -0.048 20 0 CBADRP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCNCC[NH2+]CC1 ZINC001122287454 813141070 /nfs/dbraw/zinc/14/10/70/813141070.db2.gz BGUWPMSNNDGOIZ-JSGCOSHPSA-N 2 0 266.389 -0.603 20 0 CBADRP O=C([C@H]1C[C@@]12CCC[NH2+]C2)N1CCNCC[NH2+]CC1 ZINC001122287456 813141074 /nfs/dbraw/zinc/14/10/74/813141074.db2.gz BGUWPMSNNDGOIZ-TZMCWYRMSA-N 2 0 266.389 -0.603 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001122293259 813141985 /nfs/dbraw/zinc/14/19/85/813141985.db2.gz XQGFCJNYLOCNRL-WZRBSPASSA-N 2 0 255.362 -0.456 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC001122297227 813142222 /nfs/dbraw/zinc/14/22/22/813142222.db2.gz JOVIUGZVOXUMIY-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CC[C@@H]1C[NH3+] ZINC001122295095 813142429 /nfs/dbraw/zinc/14/24/29/813142429.db2.gz DDCUJCWWKOHVHR-UTUOFQBUSA-N 2 0 255.362 -0.192 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001122303683 813142757 /nfs/dbraw/zinc/14/27/57/813142757.db2.gz GUZOYPDBMOZMQU-RYUDHWBXSA-N 2 0 256.394 -0.086 20 0 CBADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH3+] ZINC001122298373 813142817 /nfs/dbraw/zinc/14/28/17/813142817.db2.gz JDGRTWKHMZLDQY-ZYHUDNBSSA-N 2 0 255.362 -0.097 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC001122326839 813146951 /nfs/dbraw/zinc/14/69/51/813146951.db2.gz JKQPAZVWZDEVFW-NTZNESFSSA-N 2 0 255.362 -0.144 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001122333434 813148799 /nfs/dbraw/zinc/14/87/99/813148799.db2.gz ZAZVMWQYWHBIRK-RYUDHWBXSA-N 2 0 255.362 -0.225 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN(C)CCN(C)CC2)C1 ZINC001122376775 813156199 /nfs/dbraw/zinc/15/61/99/813156199.db2.gz FOBMGZFYAZQYAL-ZFWWWQNUSA-N 2 0 298.431 -0.541 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCN(C)CCN(C)CC2)C1 ZINC001122376767 813156430 /nfs/dbraw/zinc/15/64/30/813156430.db2.gz FOBMGZFYAZQYAL-DZGCQCFKSA-N 2 0 298.431 -0.541 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC001122419308 813162089 /nfs/dbraw/zinc/16/20/89/813162089.db2.gz ONWFUZHJJSPRDP-NEPJUHHUSA-N 2 0 267.373 -0.177 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC001122412693 813162586 /nfs/dbraw/zinc/16/25/86/813162586.db2.gz WXGFDXKFZMVRSC-NOHGZBONSA-N 2 0 255.362 -0.457 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(C(=O)N2CCOCC2)cn1 ZINC001159780381 815594316 /nfs/dbraw/zinc/59/43/16/815594316.db2.gz ZGBGOWJHRLEBRK-GFCCVEGCSA-N 2 0 293.371 -0.010 20 0 CBADRP C[C@]1(C(=O)NC2CC3(CC([NH3+])C3)C2)C[C@H](O)C[NH2+]1 ZINC001122434140 813165094 /nfs/dbraw/zinc/16/50/94/813165094.db2.gz KBXRJEXYMHCDDH-DRSRQNCHSA-N 2 0 253.346 -0.515 20 0 CBADRP CC(C)([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001122442408 813165627 /nfs/dbraw/zinc/16/56/27/813165627.db2.gz OVPKVAOJWCUIJE-MNOVXSKESA-N 2 0 255.362 -0.219 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(C(=O)N2CCOCC2)cn1 ZINC001159780382 815594665 /nfs/dbraw/zinc/59/46/65/815594665.db2.gz ZGBGOWJHRLEBRK-LBPRGKRZSA-N 2 0 293.371 -0.010 20 0 CBADRP NS(=O)(=O)c1cccnc1N[C@H]([NH3+])CCC[NH3+] ZINC001159780291 815594914 /nfs/dbraw/zinc/59/49/14/815594914.db2.gz WVKJCKHEIFPKTK-QMMMGPOBSA-N 2 0 259.335 -0.835 20 0 CBADRP C[C@@H]1C(=O)Nc2cnc(N[C@H]([NH3+])CCC[NH3+])nc2N1C ZINC001159785799 815594981 /nfs/dbraw/zinc/59/49/81/815594981.db2.gz SVDSPKMJXACZEL-APPZFPTMSA-N 2 0 279.348 -0.311 20 0 CBADRP [NH3+][C@H]1C[C@H](NC(=O)C2CC3(C2)C[C@@H]([NH3+])CCO3)C1 ZINC001122490438 813170449 /nfs/dbraw/zinc/17/04/49/813170449.db2.gz XFFSMXWCIFULGZ-PIZYFPAZSA-N 2 0 253.346 -0.121 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@H]3COCC[NH2+]3)[C@@H]2C1 ZINC001122571622 813176684 /nfs/dbraw/zinc/17/66/84/813176684.db2.gz BDEHJCMHBUVZMH-RVMXOQNASA-N 2 0 267.373 -0.179 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2CCC[NH2+]CC2)C[C@H](O)C[NH2+]1 ZINC001122582243 813177874 /nfs/dbraw/zinc/17/78/74/813177874.db2.gz YKGORWJAJBPFMA-GMXVVIOVSA-N 2 0 255.362 -0.395 20 0 CBADRP NS(=O)(=O)c1cnc(N[C@H]([NH3+])CCC[NH3+])c(F)c1 ZINC001159789784 815596416 /nfs/dbraw/zinc/59/64/16/815596416.db2.gz XCGWOZZNEZVWLR-QMMMGPOBSA-N 2 0 277.325 -0.696 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001159786522 815596496 /nfs/dbraw/zinc/59/64/96/815596496.db2.gz CPYZKXAEWPYZPL-GFCCVEGCSA-N 3 0 292.387 -0.437 20 0 CBADRP C[NH+](C)C1(C(=O)NCCC[NH2+]CCCO)CCC1 ZINC001159860936 815601549 /nfs/dbraw/zinc/60/15/49/815601549.db2.gz HEKSBHOXESVPMH-UHFFFAOYSA-N 2 0 257.378 -0.051 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001159884176 815602608 /nfs/dbraw/zinc/60/26/08/815602608.db2.gz BSRVQFNBONKVLN-WOPDTQHZSA-N 2 0 282.388 -0.750 20 0 CBADRP C/C(=C/C(=O)N(C)CC[NH+](C)C)C(=O)N(C)CC[NH+](C)C ZINC001123636122 813254408 /nfs/dbraw/zinc/25/44/08/813254408.db2.gz XMCXCTSSQOYFHT-SEYXRHQNSA-N 2 0 298.431 -0.027 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH+]1CCC1 ZINC001123672378 813260485 /nfs/dbraw/zinc/26/04/85/813260485.db2.gz UUUXKNYDCVCSKW-VXGBXAGGSA-N 2 0 252.362 -0.803 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@H]1CCC[NH+]1C ZINC001123938680 813296806 /nfs/dbraw/zinc/29/68/06/813296806.db2.gz HAVCGDSYTGRITF-YNEHKIRRSA-N 2 0 266.389 -0.415 20 0 CBADRP CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124835976 813485714 /nfs/dbraw/zinc/48/57/14/813485714.db2.gz DERBFCIOOUSBBW-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NC1CC1 ZINC001124866514 813488810 /nfs/dbraw/zinc/48/88/10/813488810.db2.gz FBNZFDLPATZISJ-PWSUYJOCSA-N 2 0 282.388 -0.547 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001124866944 813489088 /nfs/dbraw/zinc/48/90/88/813489088.db2.gz OAFKMEHOWBSJRU-LLVKDONJSA-N 2 0 291.417 -0.779 20 0 CBADRP Cn1cc(CC[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)cn1 ZINC001124866448 813489501 /nfs/dbraw/zinc/48/95/01/813489501.db2.gz CSCSKEZGJWFCKU-CYBMUJFWSA-N 2 0 279.388 -0.237 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001124867210 813489655 /nfs/dbraw/zinc/48/96/55/813489655.db2.gz UDUNJXDHWYUIFN-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP CC(C)N1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001124867092 813489941 /nfs/dbraw/zinc/48/99/41/813489941.db2.gz RUGUWZLTCQPBSR-CHWSQXEVSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)NC1CC1 ZINC001124866512 813490000 /nfs/dbraw/zinc/49/00/00/813490000.db2.gz FBNZFDLPATZISJ-CMPLNLGQSA-N 2 0 282.388 -0.547 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001124867211 813491160 /nfs/dbraw/zinc/49/11/60/813491160.db2.gz UDUNJXDHWYUIFN-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124872711 813492077 /nfs/dbraw/zinc/49/20/77/813492077.db2.gz LUPFRFCGCGUASR-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CCCC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001124867405 813492783 /nfs/dbraw/zinc/49/27/83/813492783.db2.gz VNEKPCAUIWAKHI-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001124878816 813493431 /nfs/dbraw/zinc/49/34/31/813493431.db2.gz OWJVSUCACOJRKF-UWVGGRQHSA-N 2 0 256.350 -0.950 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001124877055 813493729 /nfs/dbraw/zinc/49/37/29/813493729.db2.gz BBKHXRVFIDZGCS-WDEREUQCSA-N 2 0 270.377 -0.737 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001127067501 813708862 /nfs/dbraw/zinc/70/88/62/813708862.db2.gz YKYAQOPOSRYFFF-WDEREUQCSA-N 2 0 270.377 -0.561 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001127065897 813710502 /nfs/dbraw/zinc/71/05/02/813710502.db2.gz GVPJTLNDTBTBRW-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001127065613 813710547 /nfs/dbraw/zinc/71/05/47/813710547.db2.gz CBWBVROMCWDALT-ZDUSSCGKSA-N 2 0 296.415 -0.156 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127255600 813722266 /nfs/dbraw/zinc/72/22/66/813722266.db2.gz KDJOUYKQWZTEAQ-QWRGUYRKSA-N 2 0 268.361 -0.948 20 0 CBADRP CC(C)(C(=O)NCC[NH2+][C@H]1CCNC1=O)[NH+]1CCCCC1 ZINC001127322434 813723940 /nfs/dbraw/zinc/72/39/40/813723940.db2.gz OQVHUFJPWGWCLA-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475373 813731903 /nfs/dbraw/zinc/73/19/03/813731903.db2.gz USLYJYCDQFBBGD-LBPRGKRZSA-N 2 0 282.388 -0.878 20 0 CBADRP CN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1=O ZINC001127480469 813733659 /nfs/dbraw/zinc/73/36/59/813733659.db2.gz KKVVVFAQVXTESW-OLZOCXBDSA-N 2 0 294.399 -0.735 20 0 CBADRP Cn1cncc1C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475593 813733927 /nfs/dbraw/zinc/73/39/27/813733927.db2.gz WIGMHMXPJJWSSS-CQSZACIVSA-N 2 0 291.399 -0.032 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@H]2CCCNC2=O)CC[N@@H+]1C ZINC001127639054 813739037 /nfs/dbraw/zinc/73/90/37/813739037.db2.gz SPGBAPZWYCUEOQ-UTUOFQBUSA-N 2 0 282.388 -0.689 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643938 813739116 /nfs/dbraw/zinc/73/91/16/813739116.db2.gz RTBWGXKWOBRFGL-GMTAPVOTSA-N 2 0 270.377 -0.833 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2cnnn2C)CC[N@@H+]1C ZINC001127691064 813740645 /nfs/dbraw/zinc/74/06/45/813740645.db2.gz ZWDHHKCTYFSOFK-ZYHUDNBSSA-N 2 0 280.376 -0.639 20 0 CBADRP COCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127766304 813746571 /nfs/dbraw/zinc/74/65/71/813746571.db2.gz SUYLUYTWYVQKAJ-QWHCGFSZSA-N 2 0 285.388 -0.408 20 0 CBADRP COCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127766302 813746784 /nfs/dbraw/zinc/74/67/84/813746784.db2.gz SUYLUYTWYVQKAJ-OLZOCXBDSA-N 2 0 285.388 -0.408 20 0 CBADRP COCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127766300 813747225 /nfs/dbraw/zinc/74/72/25/813747225.db2.gz SUYLUYTWYVQKAJ-CHWSQXEVSA-N 2 0 285.388 -0.408 20 0 CBADRP CC(C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127760106 813747660 /nfs/dbraw/zinc/74/76/60/813747660.db2.gz DJFPPVMCYDIFHM-NEPJUHHUSA-N 2 0 255.362 -0.036 20 0 CBADRP O=C(NCC[NH2+]CCCF)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779926 813748336 /nfs/dbraw/zinc/74/83/36/813748336.db2.gz SXQWHARXLPWCRX-VXGBXAGGSA-N 2 0 273.352 -0.085 20 0 CBADRP CCOCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127784763 813748825 /nfs/dbraw/zinc/74/88/25/813748825.db2.gz BDOCGKPHKPDWOC-UONOGXRCSA-N 2 0 299.415 -0.018 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001128533614 813780208 /nfs/dbraw/zinc/78/02/08/813780208.db2.gz PBWFMHZEZUTVTO-GHMZBOCLSA-N 2 0 290.383 -0.493 20 0 CBADRP CN1CCC[C@@H]([NH2+]CCNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001129356175 813836901 /nfs/dbraw/zinc/83/69/01/813836901.db2.gz DAFAPPBSLVEIJI-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129411243 813839293 /nfs/dbraw/zinc/83/92/93/813839293.db2.gz YCESJWIWFXWNOA-LBPRGKRZSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364622 813839973 /nfs/dbraw/zinc/83/99/73/813839973.db2.gz YOALWYKYQMTHEQ-OCCSQVGLSA-N 2 0 299.415 -0.284 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)C(=O)NC1CC1 ZINC001129363564 813840296 /nfs/dbraw/zinc/84/02/96/813840296.db2.gz JUNBPQQOKAPGAF-LLVKDONJSA-N 2 0 296.415 -0.156 20 0 CBADRP O=C(NCC[NH2+]CCCO)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364301 813840578 /nfs/dbraw/zinc/84/05/78/813840578.db2.gz RKZZHNXBKHLEPB-CQSZACIVSA-N 2 0 299.415 -0.282 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001129358590 813840702 /nfs/dbraw/zinc/84/07/02/813840702.db2.gz VCIHHXNMVOBSKW-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+]CC(N)=O ZINC001129415779 813840965 /nfs/dbraw/zinc/84/09/65/813840965.db2.gz CMEWTXMQVPPLFH-NSHDSACASA-N 2 0 270.377 -0.560 20 0 CBADRP Cn1nccc1C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435657 813843872 /nfs/dbraw/zinc/84/38/72/813843872.db2.gz IINMHJLQTNPGKA-ZDUSSCGKSA-N 2 0 279.388 -0.034 20 0 CBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129436718 813844160 /nfs/dbraw/zinc/84/41/60/813844160.db2.gz RUQKKJCBZVYMRR-SMDDNHRTSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CCNC(=O)C1CC1)C1CC1 ZINC001129443615 813845703 /nfs/dbraw/zinc/84/57/03/813845703.db2.gz LBQAEGYDWPXZNS-CYBMUJFWSA-N 2 0 296.415 -0.441 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CCn1cncn1)C1CC1 ZINC001129444276 813846373 /nfs/dbraw/zinc/84/63/73/813846373.db2.gz PZXIZSWAVHEZLP-GFCCVEGCSA-N 2 0 280.376 -0.676 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129526480 813849257 /nfs/dbraw/zinc/84/92/57/813849257.db2.gz IUYOVGWAQYGFAY-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129531924 813850821 /nfs/dbraw/zinc/85/08/21/813850821.db2.gz MDAZSDAUSIZPCT-UHFFFAOYSA-N 2 0 270.377 -0.735 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129839580 813869481 /nfs/dbraw/zinc/86/94/81/813869481.db2.gz BZSLGZOYXBLVCA-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129841021 813869969 /nfs/dbraw/zinc/86/99/69/813869969.db2.gz LLTHKXAPHFHRHB-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001129839952 813870839 /nfs/dbraw/zinc/87/08/39/813870839.db2.gz CLEPXVCPQQIMAM-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CCOCCO ZINC001129842455 813871411 /nfs/dbraw/zinc/87/14/11/813871411.db2.gz YDJRHMSKIVAIEN-CYBMUJFWSA-N 2 0 287.404 -0.425 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129842537 813871561 /nfs/dbraw/zinc/87/15/61/813871561.db2.gz ZNSREHZKIIYGIS-QWHCGFSZSA-N 2 0 287.404 -0.426 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001129842004 813871689 /nfs/dbraw/zinc/87/16/89/813871689.db2.gz RQMVWRRMWNOHMJ-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001129839948 813871784 /nfs/dbraw/zinc/87/17/84/813871784.db2.gz CLEPXVCPQQIMAM-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CC(N)=O ZINC001129856661 813872105 /nfs/dbraw/zinc/87/21/05/813872105.db2.gz VJAKMCWHSULPOY-JTQLQIEISA-N 2 0 256.350 -0.948 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129949243 813881496 /nfs/dbraw/zinc/88/14/96/813881496.db2.gz ACSRQUDVUDLSJL-QWRGUYRKSA-N 2 0 272.393 -0.587 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)NCC1CC1)[NH+](C)C ZINC001129947117 813881937 /nfs/dbraw/zinc/88/19/37/813881937.db2.gz KRJSEMSUCMFPDZ-AWEZNQCLSA-N 2 0 298.431 -0.195 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@@H]1CCCNC1=O)[NH+](C)C ZINC001129947174 813882437 /nfs/dbraw/zinc/88/24/37/813882437.db2.gz MUZPQVQXHBMGNC-NEPJUHHUSA-N 2 0 284.404 -0.443 20 0 CBADRP CC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130047784 813901188 /nfs/dbraw/zinc/90/11/88/813901188.db2.gz SZMMUDIHUAMASU-OLZOCXBDSA-N 2 0 294.403 -0.019 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC)[C@@H](n2ccnn2)C1 ZINC001130107189 813908699 /nfs/dbraw/zinc/90/86/99/813908699.db2.gz IJVTVLQGDRJPTQ-OLZOCXBDSA-N 2 0 294.403 -0.019 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130187517 813915633 /nfs/dbraw/zinc/91/56/33/813915633.db2.gz WZOCPRQYNLKJAP-QWRGUYRKSA-N 2 0 268.361 -0.806 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1)[NH+](C)C ZINC001130199998 813916181 /nfs/dbraw/zinc/91/61/81/813916181.db2.gz APIBMHNJGTVSLB-CHWSQXEVSA-N 2 0 297.403 -0.710 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]Cc1cncn1C)[NH+](C)C ZINC001130197244 813916561 /nfs/dbraw/zinc/91/65/61/813916561.db2.gz FPIWBXITXPDYNC-GFCCVEGCSA-N 2 0 267.377 -0.034 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130187516 813916830 /nfs/dbraw/zinc/91/68/30/813916830.db2.gz WZOCPRQYNLKJAP-MNOVXSKESA-N 2 0 268.361 -0.806 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CCN1CCNC1=O)[NH+](C)C ZINC001130203100 813918460 /nfs/dbraw/zinc/91/84/60/813918460.db2.gz DOVWJFSCOVZHAX-LLVKDONJSA-N 2 0 285.392 -0.942 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O)[NH+](C)C ZINC001130203171 813918647 /nfs/dbraw/zinc/91/86/47/813918647.db2.gz HRLNXBVEBAQGFK-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21)[NH+](C)C ZINC001130205798 813919001 /nfs/dbraw/zinc/91/90/01/813919001.db2.gz WXBXLSKZTHOPJN-NWDGAFQWSA-N 2 0 294.403 -0.189 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+][C@@H]1CCN(CC)C1=O)[NH+](C)C ZINC001130203414 813919106 /nfs/dbraw/zinc/91/91/06/813919106.db2.gz KQWPKKXJGJPOAX-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]C[C@H](O)COC)[NH+](C)C ZINC001130202997 813919379 /nfs/dbraw/zinc/91/93/79/813919379.db2.gz DLHISBZDVSOKTH-WDEREUQCSA-N 2 0 261.366 -0.960 20 0 CBADRP Cn1nncc1C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130296723 813923060 /nfs/dbraw/zinc/92/30/60/813923060.db2.gz BNIRVNZYSNWKSA-GFCCVEGCSA-N 2 0 280.376 -0.495 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001130297285 813923968 /nfs/dbraw/zinc/92/39/68/813923968.db2.gz KCRQKOXUMPBCOE-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(N)=O ZINC001130303771 813924343 /nfs/dbraw/zinc/92/43/43/813924343.db2.gz JLUXVRWYMKKHSB-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP CN1CCC[C@H]([NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC001130300876 813925826 /nfs/dbraw/zinc/92/58/26/813925826.db2.gz WUPZLSXFSBDBJV-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001130427931 813938306 /nfs/dbraw/zinc/93/83/06/813938306.db2.gz VRFLBUUCRILIDX-NSHDSACASA-N 2 0 286.420 -0.101 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001130425352 813939201 /nfs/dbraw/zinc/93/92/01/813939201.db2.gz VERPYGUQXOTRRI-SNVBAGLBSA-N 2 0 298.387 -0.772 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130553861 813952794 /nfs/dbraw/zinc/95/27/94/813952794.db2.gz PMCPSLBXRXQCHY-UHFFFAOYSA-N 2 0 293.371 -0.640 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130558958 813954098 /nfs/dbraw/zinc/95/40/98/813954098.db2.gz WVOQVJQBZLFXLS-GFCCVEGCSA-N 2 0 280.372 -0.006 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCO ZINC001130708771 813968767 /nfs/dbraw/zinc/96/87/67/813968767.db2.gz HHROCZFYGCYENH-LBPRGKRZSA-N 2 0 257.378 -0.195 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001130709212 813969076 /nfs/dbraw/zinc/96/90/76/813969076.db2.gz XFYAMXSYHANVFI-NWDGAFQWSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130713517 813970970 /nfs/dbraw/zinc/97/09/70/813970970.db2.gz RCPVKWAWTMCSPZ-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130806027 813983322 /nfs/dbraw/zinc/98/33/22/813983322.db2.gz ZAUZWYITLWCPAO-UHFFFAOYSA-N 2 0 268.361 -0.933 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1)C(N)=O ZINC001131372855 814024039 /nfs/dbraw/zinc/02/40/39/814024039.db2.gz ULTRSJWKFUNGJP-SECBINFHSA-N 2 0 275.312 -0.473 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131372625 814025084 /nfs/dbraw/zinc/02/50/84/814025084.db2.gz OWDXKRDPDMNMRN-ZDUSSCGKSA-N 2 0 292.339 -0.339 20 0 CBADRP CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131521597 814036819 /nfs/dbraw/zinc/03/68/19/814036819.db2.gz CMSSBCLVVFGTAB-AKJDGMEZSA-N 2 0 253.346 -0.425 20 0 CBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@]2(CC[N@H+](CCO)C2)O1 ZINC001131682393 814053402 /nfs/dbraw/zinc/05/34/02/814053402.db2.gz OQKFBVSYQJDSIU-DZGCQCFKSA-N 2 0 299.415 -0.378 20 0 CBADRP O=C(NCC[NH2+]CCCO)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790549 814069325 /nfs/dbraw/zinc/06/93/25/814069325.db2.gz PEPUGPCCIFMBDJ-CYBMUJFWSA-N 2 0 269.389 -0.051 20 0 CBADRP O=C(NCC[NH2+]CCOCCO)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131789910 814069970 /nfs/dbraw/zinc/06/99/70/814069970.db2.gz ARRBASFAEXEARA-CQSZACIVSA-N 2 0 299.415 -0.425 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001132283885 814120181 /nfs/dbraw/zinc/12/01/81/814120181.db2.gz NAOMOFDDTTWJKV-JTQLQIEISA-N 2 0 270.377 -0.560 20 0 CBADRP CC(C)(C(=O)NCC[NH2+]CCn1cncn1)[NH+]1CCCC1 ZINC001132286652 814122312 /nfs/dbraw/zinc/12/23/12/814122312.db2.gz LBNASJJVEUDJKJ-UHFFFAOYSA-N 2 0 294.403 -0.142 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001132286960 814122353 /nfs/dbraw/zinc/12/23/53/814122353.db2.gz PALKTVDXERHNCS-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)COCC[NH+](C)C)C[N@@H+]1CCO ZINC001132425611 814148231 /nfs/dbraw/zinc/14/82/31/814148231.db2.gz JTBNBUCGYSIRBQ-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)COCC[NH+](C)C)C[N@@H+]1CCO ZINC001132425609 814148560 /nfs/dbraw/zinc/14/85/60/814148560.db2.gz JTBNBUCGYSIRBQ-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC)C1 ZINC001132738392 814182453 /nfs/dbraw/zinc/18/24/53/814182453.db2.gz BJAAKNFEKYMQDX-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]CC(=O)NCC)C1 ZINC001132736949 814182611 /nfs/dbraw/zinc/18/26/11/814182611.db2.gz GSIRPEPETNWGGM-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCF)C1 ZINC001132848430 814193393 /nfs/dbraw/zinc/19/33/93/814193393.db2.gz HWVFTPSEIOJBTO-NSHDSACASA-N 2 0 261.341 -0.229 20 0 CBADRP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H](C)O)C1 ZINC001132848352 814194034 /nfs/dbraw/zinc/19/40/34/814194034.db2.gz GBYSEKSPLNQVMZ-VXGBXAGGSA-N 2 0 273.377 -0.818 20 0 CBADRP CO[C@H](C)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848821 814194139 /nfs/dbraw/zinc/19/41/39/814194139.db2.gz SWEKIAYBTCIKRF-CHWSQXEVSA-N 2 0 287.404 -0.164 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CCCO)CC[N@@H+]1C ZINC001132893718 814200069 /nfs/dbraw/zinc/20/00/69/814200069.db2.gz YHDUYAZLGHSPNJ-RYUDHWBXSA-N 2 0 257.378 -0.195 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132983659 814204437 /nfs/dbraw/zinc/20/44/37/814204437.db2.gz GKRHGKCEWCWTOY-UHFFFAOYSA-N 2 0 296.371 -0.251 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132984112 814204898 /nfs/dbraw/zinc/20/48/98/814204898.db2.gz YJKVYDYPMLXHQV-UHFFFAOYSA-N 2 0 282.344 -0.593 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132992873 814206249 /nfs/dbraw/zinc/20/62/49/814206249.db2.gz HXESGUNCHAIXNM-UHFFFAOYSA-N 2 0 294.403 -0.154 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001132995462 814206884 /nfs/dbraw/zinc/20/68/84/814206884.db2.gz UNVFSCGQGMVFGP-LLVKDONJSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)CCC[NH+](C)C)C(N)=O ZINC001133051903 814211722 /nfs/dbraw/zinc/21/17/22/814211722.db2.gz UMQIRFYYILLQRA-JTQLQIEISA-N 2 0 258.366 -0.702 20 0 CBADRP C[NH+](C)CCCC(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001133048025 814212071 /nfs/dbraw/zinc/21/20/71/814212071.db2.gz FBFPZGZUOITVNO-LBPRGKRZSA-N 2 0 294.403 -0.187 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040176 814212112 /nfs/dbraw/zinc/21/21/12/814212112.db2.gz DYLGIVZOBJHDHE-UHFFFAOYSA-N 2 0 272.393 -0.440 20 0 CBADRP C[NH+](C)CCCC(=O)NCC[NH2+]CCn1cccn1 ZINC001133042259 814212406 /nfs/dbraw/zinc/21/24/06/814212406.db2.gz CAGNGVAXMVWDPZ-UHFFFAOYSA-N 2 0 267.377 -0.069 20 0 CBADRP Cn1nccc1C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040349 814212714 /nfs/dbraw/zinc/21/27/14/814212714.db2.gz MPODFFHYPOZQSP-UHFFFAOYSA-N 2 0 267.377 -0.032 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133092267 814215363 /nfs/dbraw/zinc/21/53/63/814215363.db2.gz ZZKPPHMNSGJTDY-CHWSQXEVSA-N 2 0 298.431 -0.242 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001133286105 814235076 /nfs/dbraw/zinc/23/50/76/814235076.db2.gz XJJPRIOSMOWASY-LLVKDONJSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133287693 814235462 /nfs/dbraw/zinc/23/54/62/814235462.db2.gz MMEGHHQMNVCONH-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001133288271 814236406 /nfs/dbraw/zinc/23/64/06/814236406.db2.gz TZFNWPGVFMVUCB-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)N2CCC2)CC1 ZINC001133286058 814236443 /nfs/dbraw/zinc/23/64/43/814236443.db2.gz VMCSPUVDWYSUGZ-UHFFFAOYSA-N 2 0 282.388 -0.734 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133418589 814251503 /nfs/dbraw/zinc/25/15/03/814251503.db2.gz ACSRQUDVUDLSJL-GHMZBOCLSA-N 2 0 272.393 -0.587 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+]CCNC(=O)C1CC1)[NH+](C)C ZINC001133433684 814253717 /nfs/dbraw/zinc/25/37/17/814253717.db2.gz AFZSTXKBPMPBCH-CYBMUJFWSA-N 2 0 298.431 -0.195 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)COC)[NH+](CC)CC ZINC001133684166 814287243 /nfs/dbraw/zinc/28/72/43/814287243.db2.gz FBTQHWRYRRJPBN-STQMWFEESA-N 2 0 289.420 -0.180 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+][C@@H]1CCNC1=O)[NH+](CC)CC ZINC001133684134 814288249 /nfs/dbraw/zinc/28/82/49/814288249.db2.gz DGUONANBXSPWGY-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133819780 814299293 /nfs/dbraw/zinc/29/92/93/814299293.db2.gz NWZLNIGMTFRROG-VXGBXAGGSA-N 2 0 273.377 -0.816 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)C(=O)N(C)C ZINC001133824091 814302171 /nfs/dbraw/zinc/30/21/71/814302171.db2.gz XMSHUMGTPLAAGO-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001133830747 814302560 /nfs/dbraw/zinc/30/25/60/814302560.db2.gz DFCFIHGCUASHNN-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001133845862 814307072 /nfs/dbraw/zinc/30/70/72/814307072.db2.gz OXFNZMQTNNIKBY-GFCCVEGCSA-N 2 0 297.403 -0.941 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CCN2CCCC2=O)C1 ZINC001133846395 814307325 /nfs/dbraw/zinc/30/73/25/814307325.db2.gz ZZIIOLLRSOZILJ-ZDUSSCGKSA-N 2 0 296.415 -0.344 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)NC1CC1 ZINC001133849640 814308816 /nfs/dbraw/zinc/30/88/16/814308816.db2.gz BDEMDBSMUUICQZ-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845954 814308936 /nfs/dbraw/zinc/30/89/36/814308936.db2.gz QMFKTSRWTIYAFE-NEPJUHHUSA-N 2 0 273.377 -0.959 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133863325 814310319 /nfs/dbraw/zinc/31/03/19/814310319.db2.gz LDGIAOSRDHZXLG-QWHCGFSZSA-N 2 0 298.431 -0.338 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133863924 814310525 /nfs/dbraw/zinc/31/05/25/814310525.db2.gz RHPDXNLTYQAEBI-NWDGAFQWSA-N 2 0 284.404 -0.584 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133863925 814311336 /nfs/dbraw/zinc/31/13/36/814311336.db2.gz RHPDXNLTYQAEBI-RYUDHWBXSA-N 2 0 284.404 -0.584 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2cnn(C)c2)C1 ZINC001133853655 814311709 /nfs/dbraw/zinc/31/17/09/814311709.db2.gz NOLNSDLIKGACPC-GFCCVEGCSA-N 2 0 279.388 -0.032 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001133868151 814313293 /nfs/dbraw/zinc/31/32/93/814313293.db2.gz ZXRVVEYEVVUKCJ-NEPJUHHUSA-N 2 0 282.388 -0.878 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001133863960 814314262 /nfs/dbraw/zinc/31/42/62/814314262.db2.gz RZWPPHYRBIFTCB-YPMHNXCESA-N 2 0 296.415 -0.584 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133867606 814315756 /nfs/dbraw/zinc/31/57/56/814315756.db2.gz VZGZVINSEDRFEX-RYUDHWBXSA-N 2 0 284.404 -0.632 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133893466 814319787 /nfs/dbraw/zinc/31/97/87/814319787.db2.gz FNRUWMKNCBLMKR-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133896864 814320929 /nfs/dbraw/zinc/32/09/29/814320929.db2.gz SLYBQHYMVSUMQC-LLVKDONJSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C)C(N)=O ZINC001133905477 814321774 /nfs/dbraw/zinc/32/17/74/814321774.db2.gz BJLGJYZBZAOKGP-JTQLQIEISA-N 2 0 272.393 -0.456 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C)C1=O ZINC001133908443 814322396 /nfs/dbraw/zinc/32/23/96/814322396.db2.gz RIRRZGOGNSJMFM-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]CCOCCO)[NH+](C)C ZINC001133962680 814330883 /nfs/dbraw/zinc/33/08/83/814330883.db2.gz LHTPPMSFMLZPPD-NSHDSACASA-N 2 0 261.366 -0.959 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001133965825 814331915 /nfs/dbraw/zinc/33/19/15/814331915.db2.gz LJHMLWGSWSWXTB-MNOVXSKESA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@@H](C(=O)NCC[NH2+]CCO)[NH+]1CCCCCC1 ZINC001134759553 814410901 /nfs/dbraw/zinc/41/09/01/814410901.db2.gz SPGFTBOLGCVUOR-LBPRGKRZSA-N 2 0 257.378 -0.051 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001134762776 814411642 /nfs/dbraw/zinc/41/16/42/814411642.db2.gz GCTVELXUCISBFJ-OLZOCXBDSA-N 2 0 296.415 -0.156 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780413 814412476 /nfs/dbraw/zinc/41/24/76/814412476.db2.gz FSRMIFSVIMLMSB-ZDUSSCGKSA-N 2 0 287.404 -0.569 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780817 814412667 /nfs/dbraw/zinc/41/26/67/814412667.db2.gz XNICYNJAYPOEAF-LLVKDONJSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@@H](O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159932367 815605629 /nfs/dbraw/zinc/60/56/29/815605629.db2.gz PTJJTUYRAVDVMU-ZYHUDNBSSA-N 2 0 257.378 -0.197 20 0 CBADRP C[N@H+](CC(=O)NCCC[NH2+][C@@H]1CCCNC1=O)C1CCC1 ZINC001159997018 815605781 /nfs/dbraw/zinc/60/57/81/815605781.db2.gz BFRKYHTYOKTPLE-CYBMUJFWSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]CCOCCO ZINC001135373375 814470495 /nfs/dbraw/zinc/47/04/95/814470495.db2.gz WBCLRTOKWBTQJU-OLZOCXBDSA-N 2 0 289.420 -0.180 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135373653 814470830 /nfs/dbraw/zinc/47/08/30/814470830.db2.gz XUFUJDFIZMRZPQ-NEPJUHHUSA-N 2 0 286.420 -0.053 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997489 815606790 /nfs/dbraw/zinc/60/67/90/815606790.db2.gz OSIXYDHVKJSPSZ-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP Cn1ncc(C[NH2+]CCCNC(=O)C[N@H+](C)C2CCC2)n1 ZINC001159997811 815607841 /nfs/dbraw/zinc/60/78/41/815607841.db2.gz ZBVIHBJYHWWFHD-UHFFFAOYSA-N 2 0 294.403 -0.105 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001159997598 815607977 /nfs/dbraw/zinc/60/79/77/815607977.db2.gz SYXOEBSQVDTNKG-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP C[N@H+](CC(=O)NCCC[NH2+]CC(N)=O)C1CCC1 ZINC001159997576 815608123 /nfs/dbraw/zinc/60/81/23/815608123.db2.gz SJPGMCOOQJROAQ-UHFFFAOYSA-N 2 0 256.350 -0.948 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001135512964 814481885 /nfs/dbraw/zinc/48/18/85/814481885.db2.gz CDYKUZIKSAQILN-UHFFFAOYSA-N 2 0 298.387 -0.817 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CCOCCO ZINC001135511394 814482135 /nfs/dbraw/zinc/48/21/35/814482135.db2.gz QCQACKPZUIYPKC-UHFFFAOYSA-N 2 0 261.366 -0.957 20 0 CBADRP C[NH2+]CCC(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160157715 815611652 /nfs/dbraw/zinc/61/16/52/815611652.db2.gz ZICVHMJQYKHUOP-BETUJISGSA-N 2 0 267.373 -0.083 20 0 CBADRP [NH3+]Cc1nccnc1Nc1cncc(N2CC[NH2+]CC2)n1 ZINC001160246266 815613710 /nfs/dbraw/zinc/61/37/10/815613710.db2.gz YZHHBWBUVZQISX-UHFFFAOYSA-N 2 0 286.343 -0.122 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001160272471 815614265 /nfs/dbraw/zinc/61/42/65/815614265.db2.gz AVXNAJYWKYCWLL-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135688181 814511065 /nfs/dbraw/zinc/51/10/65/814511065.db2.gz FJHWFBFTNWLJRV-CYBMUJFWSA-N 2 0 287.404 -0.569 20 0 CBADRP CC1CC[NH+](CC(=O)NCC[NH2+]CCCO)CC1 ZINC001135703095 814511221 /nfs/dbraw/zinc/51/12/21/814511221.db2.gz WPPVVYZDOXOWIJ-UHFFFAOYSA-N 2 0 257.378 -0.194 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001135744212 814518212 /nfs/dbraw/zinc/51/82/12/814518212.db2.gz XVNQCIVLWDKIED-MNOVXSKESA-N 2 0 272.393 -0.314 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C(C)(C)C ZINC001160427227 815618819 /nfs/dbraw/zinc/61/88/19/815618819.db2.gz KSNUVDBWKZDARK-NSHDSACASA-N 2 0 256.394 -0.006 20 0 CBADRP C[C@H](O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959949 814540387 /nfs/dbraw/zinc/54/03/87/814540387.db2.gz WUYKOQHABSVQJR-NSHDSACASA-N 2 0 273.377 -0.816 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC001141653981 814662798 /nfs/dbraw/zinc/66/27/98/814662798.db2.gz LUKVCSXQAOGJTO-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001142646445 814728671 /nfs/dbraw/zinc/72/86/71/814728671.db2.gz NJLOFOYYQXLFLB-URLYPYJESA-N 2 0 268.361 -0.057 20 0 CBADRP Cc1nc(N[C@H]2C[NH2+]C[C@H]2CO)cc(N(C)C)[nH+]1 ZINC001159671642 815584644 /nfs/dbraw/zinc/58/46/44/815584644.db2.gz KDFMYGUKSJLEPD-UWVGGRQHSA-N 2 0 251.334 -0.157 20 0 CBADRP [NH3+]C1CCN(c2ccnc(N[C@H]3C[NH2+]C[C@@H]3CO)n2)CC1 ZINC001159679616 815586780 /nfs/dbraw/zinc/58/67/80/815586780.db2.gz USBQNLWLZQKYNQ-PWSUYJOCSA-N 2 0 292.387 -0.604 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)CC[NH+]1CCN(C)CC1 ZINC001143236749 814765051 /nfs/dbraw/zinc/76/50/51/814765051.db2.gz SUVOMCNLVYBXHS-GFCCVEGCSA-N 2 0 256.394 -0.310 20 0 CBADRP C[NH+]1CCN(CCC(=O)NC2(CO)CC[NH+](C)CC2)CC1 ZINC001143238256 814766342 /nfs/dbraw/zinc/76/63/42/814766342.db2.gz JFOCDJZOXXYWSU-UHFFFAOYSA-N 2 0 298.431 -0.803 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CNC(=O)C1 ZINC001143305221 814769292 /nfs/dbraw/zinc/76/92/92/814769292.db2.gz QBDPXAPTOHBTMW-VIFPVBQESA-N 2 0 269.349 -0.814 20 0 CBADRP C[NH+]1CCC(CC(=O)N(CC[NH3+])S(C)(=O)=O)CC1 ZINC001143347511 814769533 /nfs/dbraw/zinc/76/95/33/814769533.db2.gz BQQUQYGLIUNLNE-UHFFFAOYSA-N 2 0 277.390 -0.535 20 0 CBADRP COCCN(C(=O)CN(C)C(N)=[NH2+])C1CC[NH+](C)CC1 ZINC001144132344 814773369 /nfs/dbraw/zinc/77/33/69/814773369.db2.gz NQNJSZIDRKNDFY-UHFFFAOYSA-N 2 0 285.392 -0.619 20 0 CBADRP CCC[NH+]1C[C@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@@H]2C1 ZINC001144138019 814773577 /nfs/dbraw/zinc/77/35/77/814773577.db2.gz ZQWWMFLTGXOCJS-QWRGUYRKSA-N 2 0 267.377 -0.388 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@H]2C1 ZINC001144138018 814773596 /nfs/dbraw/zinc/77/35/96/814773596.db2.gz ZQWWMFLTGXOCJS-PHIMTYICSA-N 2 0 267.377 -0.388 20 0 CBADRP CN(CC(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1)C(N)=[NH2+] ZINC001144141857 814773631 /nfs/dbraw/zinc/77/36/31/814773631.db2.gz HRDBSCSOXAOVBS-MGCOHNPYSA-N 2 0 283.376 -0.691 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H](O)c1ccc(O)cc1 ZINC001144607930 814777643 /nfs/dbraw/zinc/77/76/43/814777643.db2.gz MYNDGCNMADUNRY-LLVKDONJSA-N 2 0 280.328 -0.113 20 0 CBADRP CC(C)[NH+]1CCC(C(=O)NCC[NH2+]CCO)CC1 ZINC001146391827 814838359 /nfs/dbraw/zinc/83/83/59/814838359.db2.gz LTBDRBFJFBLLHU-UHFFFAOYSA-N 2 0 257.378 -0.195 20 0 CBADRP C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001146341493 814837535 /nfs/dbraw/zinc/83/75/35/814837535.db2.gz YYZWINKCOMPABA-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146711043 814843660 /nfs/dbraw/zinc/84/36/60/814843660.db2.gz NNDWANQAASALCL-GFCCVEGCSA-N 2 0 286.420 -0.051 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001146711184 814844279 /nfs/dbraw/zinc/84/42/79/814844279.db2.gz QDHCWHCAMNPLKR-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001146747264 814847197 /nfs/dbraw/zinc/84/71/97/814847197.db2.gz SRDDYBNSUXLADC-ZDUSSCGKSA-N 2 0 297.403 -0.708 20 0 CBADRP Cc1ncc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cn1 ZINC001146960768 814859554 /nfs/dbraw/zinc/85/95/54/814859554.db2.gz VPXBZOJAIFAVQT-UHFFFAOYSA-N 2 0 250.306 -0.140 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccc(=O)[nH]c1 ZINC001147153844 814877316 /nfs/dbraw/zinc/87/73/16/814877316.db2.gz SFKAYQHOZQLOGZ-UHFFFAOYSA-N 2 0 251.290 -0.138 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147333710 814889402 /nfs/dbraw/zinc/88/94/02/814889402.db2.gz VWNRCDCIDYHAAU-UHFFFAOYSA-N 2 0 282.388 -0.701 20 0 CBADRP Cc1cc(=O)c(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c[nH]1 ZINC001147643937 814907264 /nfs/dbraw/zinc/90/72/64/814907264.db2.gz SHIMLYLFONZVNX-UHFFFAOYSA-N 2 0 265.317 -0.242 20 0 CBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1ccccn1 ZINC001147841294 814919069 /nfs/dbraw/zinc/91/90/69/814919069.db2.gz DHWNALOZIISJSJ-UHFFFAOYSA-N 2 0 280.372 -0.134 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147842108 814919163 /nfs/dbraw/zinc/91/91/63/814919163.db2.gz NCLOTZAGDGTINY-UHFFFAOYSA-N 2 0 298.391 -0.918 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147878475 814923314 /nfs/dbraw/zinc/92/33/14/814923314.db2.gz ZSULTRSOPMCBCG-GFCCVEGCSA-N 2 0 294.403 -0.154 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001147892096 814923816 /nfs/dbraw/zinc/92/38/16/814923816.db2.gz HZGNUPPDQHWEGP-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1cncs1 ZINC001147891500 814924082 /nfs/dbraw/zinc/92/40/82/814924082.db2.gz AJYLERFBBILPKZ-UHFFFAOYSA-N 2 0 286.401 -0.073 20 0 CBADRP CC[C@]([NH3+])(CO)Nc1ncc(C)c(C2C[NH2+]C2)n1 ZINC001159750277 815593122 /nfs/dbraw/zinc/59/31/22/815593122.db2.gz JOSHXDSYZQFTCV-GFCCVEGCSA-N 2 0 251.334 -0.059 20 0 CBADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001159915003 815604152 /nfs/dbraw/zinc/60/41/52/815604152.db2.gz FUQGLFMSRHBKRJ-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159915682 815604500 /nfs/dbraw/zinc/60/45/00/815604500.db2.gz LVIPUZNDLXWHSD-AWEZNQCLSA-N 2 0 298.431 -0.053 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159916740 815604804 /nfs/dbraw/zinc/60/48/04/815604804.db2.gz RTYNVKRZNCWUSE-OLZOCXBDSA-N 2 0 287.404 -0.570 20 0 CBADRP Cn1ncc(C[NH2+]CCCNC(=O)[C@H](C2CC2)[NH+](C)C)n1 ZINC001159915255 815604863 /nfs/dbraw/zinc/60/48/63/815604863.db2.gz ILZJUXOVBBZUCN-ZDUSSCGKSA-N 2 0 294.403 -0.249 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1C[C@H]2F ZINC001160428861 815620697 /nfs/dbraw/zinc/62/06/97/815620697.db2.gz WXYJAUDYLPGUCZ-QEYWKRMJSA-N 2 0 261.366 -0.036 20 0 CBADRP COCCN(C(=O)[C@@H]1C[NH2+]CCN1)C1CC[NH+](C)CC1 ZINC001160441345 815622501 /nfs/dbraw/zinc/62/25/01/815622501.db2.gz WHKSUUJSULACBD-ZDUSSCGKSA-N 2 0 284.404 -0.883 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@]1(N)CC[NH2+]C1 ZINC001160453622 815623733 /nfs/dbraw/zinc/62/37/33/815623733.db2.gz BFXUIIBUFFQQMT-CYBMUJFWSA-N 2 0 254.378 -0.523 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@]1(N)CC[NH2+]C1 ZINC001160453624 815623996 /nfs/dbraw/zinc/62/39/96/815623996.db2.gz BFXUIIBUFFQQMT-ZDUSSCGKSA-N 2 0 254.378 -0.523 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001160455020 815624999 /nfs/dbraw/zinc/62/49/99/815624999.db2.gz XEJLDBZDODQWJT-BUXKBTBVSA-N 2 0 289.445 -0.118 20 0 CBADRP COCCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C(C)C ZINC001160462889 815625438 /nfs/dbraw/zinc/62/54/38/815625438.db2.gz CASQWWMBKWJVLJ-CYBMUJFWSA-N 2 0 286.420 -0.380 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC1 ZINC001160456112 815625528 /nfs/dbraw/zinc/62/55/28/815625528.db2.gz BQVRIQPFJBQHRZ-LLVKDONJSA-N 2 0 285.392 -0.780 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCN(C(N)=O)CC1 ZINC001160456331 815625611 /nfs/dbraw/zinc/62/56/11/815625611.db2.gz IARCGQPFMZNBJH-NSHDSACASA-N 2 0 285.392 -0.732 20 0 CBADRP CCN(CCC(N)=O)C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001160470884 815626897 /nfs/dbraw/zinc/62/68/97/815626897.db2.gz JQTMQQGGZGHHKS-LLVKDONJSA-N 2 0 256.350 -0.963 20 0 CBADRP CC[NH+](CC)C1CCN(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001160484158 815628102 /nfs/dbraw/zinc/62/81/02/815628102.db2.gz ZJAJFVGBYNPWGX-OLZOCXBDSA-N 2 0 269.389 -0.101 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCn2cccc2C1 ZINC001160477053 815628135 /nfs/dbraw/zinc/62/81/35/815628135.db2.gz SEOLEHAJCMCYRI-GFCCVEGCSA-N 2 0 260.341 -0.361 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@H]2[NH2+]CC[C@H]2O)CC1 ZINC001160537098 815633941 /nfs/dbraw/zinc/63/39/41/815633941.db2.gz FQKPNWGMZMLCEJ-NEPJUHHUSA-N 2 0 255.362 -0.348 20 0 CBADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)CN1CC[NH2+]CC1 ZINC001160538966 815634686 /nfs/dbraw/zinc/63/46/86/815634686.db2.gz MCRDLWBGFQQBDU-LLVKDONJSA-N 2 0 290.371 -0.668 20 0 CBADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001160539637 815635436 /nfs/dbraw/zinc/63/54/36/815635436.db2.gz ZBNCLHGNMBFQBS-YWVKMMECSA-N 2 0 277.328 -0.992 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCCC12COC2 ZINC001160542449 815635510 /nfs/dbraw/zinc/63/55/10/815635510.db2.gz XAFJAKYJOMAJOO-SNVBAGLBSA-N 2 0 251.330 -0.813 20 0 CBADRP NC(=O)[C@@H]1CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001160549721 815637479 /nfs/dbraw/zinc/63/74/79/815637479.db2.gz WHKJAVDSMWLPIS-ZJUUUORDSA-N 2 0 256.350 -0.833 20 0 CBADRP Cn1cc2c(n1)CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001160557965 815637510 /nfs/dbraw/zinc/63/75/10/815637510.db2.gz KPFVQVFXYXSBNV-LLVKDONJSA-N 2 0 275.356 -0.886 20 0 CBADRP CN(CC1(C)COC1)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160549324 815637597 /nfs/dbraw/zinc/63/75/97/815637597.db2.gz PPQPMLCEUUFIEV-LBPRGKRZSA-N 2 0 284.404 -0.768 20 0 CBADRP Cn1ncc2c1CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001160564852 815638250 /nfs/dbraw/zinc/63/82/50/815638250.db2.gz MAJCIDPEICSTAZ-GFCCVEGCSA-N 2 0 292.387 -0.987 20 0 CBADRP Cn1ncc2c1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001160564136 815638642 /nfs/dbraw/zinc/63/86/42/815638642.db2.gz DMOTXFSTYTURGF-VIFPVBQESA-N 2 0 269.374 -0.719 20 0 CBADRP Cc1cc2n(n1)c(=O)cc(C)n2C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001160565532 815638742 /nfs/dbraw/zinc/63/87/42/815638742.db2.gz ZMZWGWQJJHWNBD-SNVBAGLBSA-N 2 0 277.328 -0.181 20 0 CBADRP CCOC(=O)[C@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160583425 815641094 /nfs/dbraw/zinc/64/10/94/815641094.db2.gz XXUBGAAMNVECQT-NWDGAFQWSA-N 2 0 295.383 -0.260 20 0 CBADRP COC(=O)C[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CCO1 ZINC001160595508 815642449 /nfs/dbraw/zinc/64/24/49/815642449.db2.gz CPZVSUSMJFHLQH-QWRGUYRKSA-N 2 0 287.360 -0.767 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@@H](n2cncn2)C1 ZINC001160635603 815646711 /nfs/dbraw/zinc/64/67/11/815646711.db2.gz BCCQQEWWRWXUKK-NEPJUHHUSA-N 2 0 290.371 -0.749 20 0 CBADRP [NH3+][C@H](C(=O)N1CCC[C@@H](n2cncn2)C1)C1CC[NH2+]CC1 ZINC001160638691 815649386 /nfs/dbraw/zinc/64/93/86/815649386.db2.gz XYMOUBHTBQGRFF-OLZOCXBDSA-N 2 0 292.387 -0.232 20 0 CBADRP C[C@H]1CC(=O)CCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160643094 815650064 /nfs/dbraw/zinc/65/00/64/815650064.db2.gz XTHPBFJKCRULHX-MISXGVKJSA-N 2 0 265.357 -0.235 20 0 CBADRP C[NH+](C)C1(C)CN(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001160644567 815650554 /nfs/dbraw/zinc/65/05/54/815650554.db2.gz HENLKEXVPRCTKS-JTQLQIEISA-N 2 0 251.334 -0.558 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CCO1 ZINC001160644112 815650623 /nfs/dbraw/zinc/65/06/23/815650623.db2.gz SPBJUTRQFJFBLT-MJBXVCDLSA-N 2 0 296.415 -0.754 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CO[C@@]3(C2)CCC[NH2+]CC3)CCO1 ZINC001160644125 815650782 /nfs/dbraw/zinc/65/07/82/815650782.db2.gz STHJCKYTYRHNAU-YDHLFZDLSA-N 2 0 297.399 -0.279 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])CC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160644140 815650816 /nfs/dbraw/zinc/65/08/16/815650816.db2.gz ULVFYUYZHYEQMD-MNOVXSKESA-N 2 0 273.377 -0.295 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160650223 815651921 /nfs/dbraw/zinc/65/19/21/815651921.db2.gz TVXYLSIMLYENRK-TUAOUCFPSA-N 2 0 288.367 -0.482 20 0 CBADRP C[C@@H]1C[C@H](O)CCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160654833 815653090 /nfs/dbraw/zinc/65/30/90/815653090.db2.gz CPUBBPPPHORVBS-GMTAPVOTSA-N 2 0 253.346 -0.833 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2[NH2+]CCC[C@H]2C(F)(F)F)C[C@H]1O ZINC001160652347 815653408 /nfs/dbraw/zinc/65/34/08/815653408.db2.gz BFJRKIOPBZLWOK-KYXWUPHJSA-N 2 0 295.305 -0.163 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(=O)C(F)(F)C1 ZINC001160663717 815654448 /nfs/dbraw/zinc/65/44/48/815654448.db2.gz IIWWMQBQAROAIV-QMMMGPOBSA-N 2 0 273.283 -0.768 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001160669497 815655533 /nfs/dbraw/zinc/65/55/33/815655533.db2.gz GOSCWINLFTXNOX-CYBMUJFWSA-N 3 0 298.431 -0.234 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2C[NH2+]CCN2)CC1 ZINC001160670129 815655959 /nfs/dbraw/zinc/65/59/59/815655959.db2.gz UDHIWIUHUWOJIC-ZDUSSCGKSA-N 2 0 296.415 -0.739 20 0 CBADRP CC(C)[C@H]1COCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160670313 815656063 /nfs/dbraw/zinc/65/60/63/815656063.db2.gz WTWVYXSUPBKKQD-UONOGXRCSA-N 2 0 298.431 -0.380 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC001160688734 815657008 /nfs/dbraw/zinc/65/70/08/815657008.db2.gz GBDHVFBNAYITOV-VXGBXAGGSA-N 2 0 289.383 -0.075 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001160695648 815659285 /nfs/dbraw/zinc/65/92/85/815659285.db2.gz NYPKHXPUUVMDOR-BZPMIXESSA-N 2 0 266.389 -0.604 20 0 CBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160698662 815660373 /nfs/dbraw/zinc/66/03/73/815660373.db2.gz OHYPEDMBOBOSIE-TZMCWYRMSA-N 3 0 297.447 -0.805 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)CN3CCCC[C@H]([NH3+])C3=O)C[C@H]2C1 ZINC001160704149 815660917 /nfs/dbraw/zinc/66/09/17/815660917.db2.gz HPIBDSJIRRMYDX-XQQFMLRXSA-N 2 0 294.399 -0.654 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])C3CCC(O)CC3)C[C@H]2C1 ZINC001160704606 815662228 /nfs/dbraw/zinc/66/22/28/815662228.db2.gz MBYLQDMVZVZDBG-XGVQBZMBSA-N 2 0 281.400 -0.115 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[NH+]2CCC1CC2 ZINC001160726758 815664631 /nfs/dbraw/zinc/66/46/31/815664631.db2.gz SRPINXNORNPONW-LBPRGKRZSA-N 3 0 264.373 -0.898 20 0 CBADRP O=C(N1CC[NH+]2CCC1CC2)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001160725520 815665277 /nfs/dbraw/zinc/66/52/77/815665277.db2.gz BUJHPSYYMVADAC-BXUZGUMPSA-N 2 0 264.373 -0.756 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC001160725939 815665783 /nfs/dbraw/zinc/66/57/83/815665783.db2.gz JEHASBQAEPQBRE-LBPRGKRZSA-N 2 0 280.372 -0.757 20 0 CBADRP CCOC(=O)[C@]12CN(C(=O)C(C)(C)[NH2+]C)C[C@H]1C[NH2+]CC2 ZINC001160812089 815673219 /nfs/dbraw/zinc/67/32/19/815673219.db2.gz FMXLKZYYRDKENY-IAQYHMDHSA-N 2 0 297.399 -0.014 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC001160840018 815676083 /nfs/dbraw/zinc/67/60/83/815676083.db2.gz TZQIMVKLYBJXSP-RYUDHWBXSA-N 2 0 271.361 -0.846 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC001160837516 815676457 /nfs/dbraw/zinc/67/64/57/815676457.db2.gz AMYDUYWITNNDCS-IUCAKERBSA-N 2 0 265.304 -0.242 20 0 CBADRP C[C@@H]1CN(C)C[C@H](C(=O)NCCC[NH2+]CCCO)O1 ZINC001160857537 815680883 /nfs/dbraw/zinc/68/08/83/815680883.db2.gz JGYKRZLOJXISGW-VXGBXAGGSA-N 2 0 273.377 -0.816 20 0 CBADRP CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@@H]21 ZINC001160880544 815683860 /nfs/dbraw/zinc/68/38/60/815683860.db2.gz ZQIVLBFLLPUQQG-ZRUFSTJUSA-N 2 0 269.345 -0.680 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160916158 815688238 /nfs/dbraw/zinc/68/82/38/815688238.db2.gz WMOGBCFRFOHEFZ-NSHDSACASA-N 3 0 292.387 -0.372 20 0 CBADRP [NH3+][C@H](C(=O)N(c1ncccn1)C1C[NH2+]C1)C1CC[NH2+]CC1 ZINC001160915907 815688502 /nfs/dbraw/zinc/68/85/02/815688502.db2.gz RDNXNECDBDTPKC-LBPRGKRZSA-N 3 0 290.371 -0.892 20 0 CBADRP C[C@]1(C(=O)N(c2ncccn2)C2C[NH2+]C2)CCC[NH2+]1 ZINC001160916309 815688889 /nfs/dbraw/zinc/68/88/89/815688889.db2.gz XTYMEGMTSOMHSV-CYBMUJFWSA-N 2 0 261.329 -0.077 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)CC(F)(F)C1 ZINC001160966977 815691128 /nfs/dbraw/zinc/69/11/28/815691128.db2.gz HZNRSFWQBWNZMB-XWLWVQCSSA-N 2 0 289.326 -0.052 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160967018 815691216 /nfs/dbraw/zinc/69/12/16/815691216.db2.gz IJMCDPJEEFLYFT-VXNVDRBHSA-N 2 0 273.287 -0.526 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160967228 815691504 /nfs/dbraw/zinc/69/15/04/815691504.db2.gz LNVXHRBSUHCCHJ-WPRPVWTQSA-N 2 0 287.314 -0.515 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@]13CC[C@@H](N1)[C@H]([NH3+])C3)C2 ZINC001160965240 815691703 /nfs/dbraw/zinc/69/17/03/815691703.db2.gz UXZOQQVTLMKMSY-FWZIUSJTSA-N 2 0 278.400 -0.382 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CC(F)(F)C1 ZINC001160969257 815693121 /nfs/dbraw/zinc/69/31/21/815693121.db2.gz ZAWKSZUSMJMGRM-AATLWQCWSA-N 2 0 274.315 -0.869 20 0 CBADRP O=C(N1CC(O)([C@@H]2CCCC[NH2+]2)C1)[C@@]12CC[C@H]1C[NH2+]C2 ZINC001160999401 815693573 /nfs/dbraw/zinc/69/35/73/815693573.db2.gz CVFSYSXUUIBFOD-SGMGOOAPSA-N 2 0 279.384 -0.299 20 0 CBADRP C[C@@]1(C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)CCC[NH2+]1 ZINC001161000133 815694672 /nfs/dbraw/zinc/69/46/72/815694672.db2.gz QBINQKJMNACRKM-YPMHNXCESA-N 2 0 267.373 -0.156 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161008386 815694772 /nfs/dbraw/zinc/69/47/72/815694772.db2.gz NVFOFPXXVLBAHO-VXGBXAGGSA-N 2 0 281.400 -0.053 20 0 CBADRP CC(C)OC1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001161009291 815694838 /nfs/dbraw/zinc/69/48/38/815694838.db2.gz FGKOPDJPWWUJEY-JTQLQIEISA-N 2 0 261.391 -0.359 20 0 CBADRP CCC[C@H]([NH3+])C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000851 815695100 /nfs/dbraw/zinc/69/51/00/815695100.db2.gz VHDHDEFZSSVTGA-WDEREUQCSA-N 2 0 255.362 -0.171 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CC[C@H]3[NH2+]CC[C@H]3O2)CC[NH2+]1 ZINC001161016068 815695820 /nfs/dbraw/zinc/69/58/20/815695820.db2.gz RAQSMKHLLOLGTK-DDHJBXDOSA-N 2 0 253.346 -0.284 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC[NH2+]1 ZINC001161016198 815695875 /nfs/dbraw/zinc/69/58/75/815695875.db2.gz SSZZGSHMZMSUIT-NQBHXWOUSA-N 3 0 252.362 -0.994 20 0 CBADRP C[C@@H]1CN(C(=O)C2=NO[C@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC001161015940 815696334 /nfs/dbraw/zinc/69/63/34/815696334.db2.gz MOIFLDHOBHPTBE-BXKDBHETSA-N 2 0 252.318 -0.685 20 0 CBADRP NC(=S)C1CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001161031396 815699793 /nfs/dbraw/zinc/69/97/93/815699793.db2.gz CYNIDPUELVQHLT-NSHDSACASA-N 2 0 284.429 -0.162 20 0 CBADRP NC(=S)C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001161031066 815700336 /nfs/dbraw/zinc/70/03/36/815700336.db2.gz RGGRWMPRJDPCQZ-BXUZGUMPSA-N 2 0 296.440 -0.290 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001161034495 815701488 /nfs/dbraw/zinc/70/14/88/815701488.db2.gz KPXFCNPVYVQGNX-RYUDHWBXSA-N 2 0 284.404 -0.042 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001161033738 815701940 /nfs/dbraw/zinc/70/19/40/815701940.db2.gz ZAVHKLOQAPWNCJ-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N(C)[C@H]1CCCC[C@H]1[NH3+] ZINC001161058244 815706328 /nfs/dbraw/zinc/70/63/28/815706328.db2.gz QJBVKARJWYASIM-VWYCJHECSA-N 2 0 257.334 -0.395 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001161034875 815702224 /nfs/dbraw/zinc/70/22/24/815702224.db2.gz OERCKVGLOSULPE-QWRGUYRKSA-N 2 0 270.377 -0.478 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001161035052 815702276 /nfs/dbraw/zinc/70/22/76/815702276.db2.gz RCKNJYZTGWJXJA-UWVGGRQHSA-N 2 0 256.350 -0.820 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001161041076 815703421 /nfs/dbraw/zinc/70/34/21/815703421.db2.gz FJDKEZZDDGYIOU-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001161041498 815703539 /nfs/dbraw/zinc/70/35/39/815703539.db2.gz JRZLYSIVALJGES-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CCCC[C@H]1[NH3+] ZINC001161057795 815705105 /nfs/dbraw/zinc/70/51/05/815705105.db2.gz GLCNTAOZLPGNFR-OPDFLTKYSA-N 2 0 267.373 -0.049 20 0 CBADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)C1 ZINC001161051126 815705691 /nfs/dbraw/zinc/70/56/91/815705691.db2.gz SQPUROZGSOWXGK-UTUOFQBUSA-N 2 0 254.378 -0.383 20 0 CBADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2[NH2+]CC[C@H]2O)C1 ZINC001161050810 815706292 /nfs/dbraw/zinc/70/62/92/815706292.db2.gz POUBEOBEEORIAW-UTUOFQBUSA-N 2 0 255.362 -0.350 20 0 CBADRP Nc1ccc2c(c1)CN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001161077183 815708917 /nfs/dbraw/zinc/70/89/17/815708917.db2.gz RKTPCGVOPAAHJN-CQSZACIVSA-N 2 0 286.379 -0.038 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3cnc[nH]3)C[C@H]21 ZINC001161081350 815709554 /nfs/dbraw/zinc/70/95/54/815709554.db2.gz ITJSUPIDGDNUIN-KGYLQXTDSA-N 2 0 277.372 -0.168 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[NH2+]CCN3)C[C@@H]21 ZINC001161082918 815710823 /nfs/dbraw/zinc/71/08/23/815710823.db2.gz QPUSVXYMHWUMBZ-SRVKXCTJSA-N 2 0 252.362 -0.900 20 0 CBADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161084241 815711628 /nfs/dbraw/zinc/71/16/28/815711628.db2.gz DMDABXQKDVNBRK-AXFHLTTASA-N 2 0 279.340 -0.613 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@H]21 ZINC001161082049 815711795 /nfs/dbraw/zinc/71/17/95/815711795.db2.gz NJWKLGLBOCUEQN-WYUUTHIRSA-N 2 0 253.346 -0.738 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001161084012 815711844 /nfs/dbraw/zinc/71/18/44/815711844.db2.gz VYGYDYSEVUABPP-UBHSHLNASA-N 2 0 291.399 -0.158 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@H]21 ZINC001161083188 815711875 /nfs/dbraw/zinc/71/18/75/815711875.db2.gz RCKZHNCCSYYEPG-GRYCIOLGSA-N 3 0 254.378 -0.395 20 0 CBADRP [NH3+]CCN(CCNc1ncc2c(n1)C[NH2+]C2)N(O)N=O ZINC001161091968 815713059 /nfs/dbraw/zinc/71/30/59/815713059.db2.gz GGJQVJVGLCXSGN-UHFFFAOYSA-N 2 0 282.308 -0.960 20 0 CBADRP CC(=O)N1CCC[C@@H](N(C)C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161132326 815718519 /nfs/dbraw/zinc/71/85/19/815718519.db2.gz YELDNTSVEGYUER-CHWSQXEVSA-N 2 0 294.399 -0.735 20 0 CBADRP CO[C@H](C)C1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161146116 815721954 /nfs/dbraw/zinc/72/19/54/815721954.db2.gz MRYXKKYGSPYVKD-KOLCDFICSA-N 2 0 253.346 -0.711 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001161158230 815722992 /nfs/dbraw/zinc/72/29/92/815722992.db2.gz RUCMESQTOQRPFG-QWRGUYRKSA-N 2 0 289.351 -0.326 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)CNCC[NH3+])C[C@H]2C1 ZINC001161174625 815724208 /nfs/dbraw/zinc/72/42/08/815724208.db2.gz AZGNTFGFONYXCU-TXEJJXNPSA-N 2 0 254.378 -0.665 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]2C1 ZINC001161175429 815724438 /nfs/dbraw/zinc/72/44/38/815724438.db2.gz LWVVJMTWMXTEGI-HZSPNIEDSA-N 3 0 292.427 -0.404 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCN3)C[C@H]2C1 ZINC001161176019 815724782 /nfs/dbraw/zinc/72/47/82/815724782.db2.gz QULZIFOLUOLTAQ-UPJWGTAASA-N 2 0 266.389 -0.652 20 0 CBADRP CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@@H]2C1 ZINC001161174606 815724999 /nfs/dbraw/zinc/72/49/99/815724999.db2.gz ATFCGCSIVCTYKD-CYDGBPFRSA-N 2 0 267.373 -0.491 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1Cc2ccnn2CC[C@H]1CO ZINC001161170602 815725248 /nfs/dbraw/zinc/72/52/48/815725248.db2.gz KNUHUXHDQXSDNA-RYUDHWBXSA-N 2 0 281.360 -0.958 20 0 CBADRP O=C(N1CCC(O)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161178426 815726123 /nfs/dbraw/zinc/72/61/23/815726123.db2.gz OOYXIGJKKVDLQD-ZWNOBZJWSA-N 2 0 253.346 -0.831 20 0 CBADRP CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])COC(C)=O)C[C@@H]2C1 ZINC001161176309 815726183 /nfs/dbraw/zinc/72/61/83/815726183.db2.gz SSQSLYJPKBDSBS-AVGNSLFASA-N 2 0 283.372 -0.323 20 0 CBADRP C[C@@H](O)[C@H]([NH3+])C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161205799 815727383 /nfs/dbraw/zinc/72/73/83/815727383.db2.gz SLVQRTPULVZPJX-MFKMUULPSA-N 2 0 269.389 -0.067 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161217101 815728571 /nfs/dbraw/zinc/72/85/71/815728571.db2.gz ASDUDMJSNUKKSI-WHOHXGKFSA-N 3 0 254.378 -0.620 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])Cc1cccc(O)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161217437 815728635 /nfs/dbraw/zinc/72/86/35/815728635.db2.gz CLFORCNAMMCQKG-RFQIPJPRSA-N 2 0 275.352 -0.062 20 0 CBADRP C[C@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]3CCO[C@@H]32)C[C@H](C)[NH2+]1 ZINC001161231998 815730147 /nfs/dbraw/zinc/73/01/47/815730147.db2.gz WWGDJHQDMLWOAC-YYHQMBLXSA-N 2 0 267.373 -0.180 20 0 CBADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001161239845 815733479 /nfs/dbraw/zinc/73/34/79/815733479.db2.gz SGJBCPDVYXFRFN-RAIGVLPGSA-N 3 0 270.352 -0.915 20 0 CBADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@@H]([NH3+])C2CCC(O)CC2)C1 ZINC001161246944 815734124 /nfs/dbraw/zinc/73/41/24/815734124.db2.gz SSGAYXVMNKFFAJ-TWHWIZHFSA-N 2 0 273.352 -0.236 20 0 CBADRP [NH3+]C[C@@]1(F)CCN(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C1 ZINC001161239323 815734305 /nfs/dbraw/zinc/73/43/05/815734305.db2.gz JMZWJJMXOIRMSI-KQXIARHKSA-N 2 0 271.336 -0.347 20 0 CBADRP CC(=O)N[C@@H]1CCCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161270339 815735499 /nfs/dbraw/zinc/73/54/99/815735499.db2.gz MXSUMKPGPDESQO-CHWSQXEVSA-N 2 0 282.388 -0.560 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](Oc2ncccn2)C1 ZINC001161295549 815737220 /nfs/dbraw/zinc/73/72/20/815737220.db2.gz LIRFYEROUZIECQ-VXGBXAGGSA-N 2 0 293.371 -0.087 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC2(CCC(=O)N2)CC1 ZINC001161297384 815738159 /nfs/dbraw/zinc/73/81/59/815738159.db2.gz WMDCQSQIEQDFQQ-NSHDSACASA-N 2 0 282.388 -0.286 20 0 CBADRP Cc1c[nH+]ccc1N1CCN(C(=O)C[C@H](O)C[NH3+])CC1 ZINC001161306661 815738293 /nfs/dbraw/zinc/73/82/93/815738293.db2.gz UTIFZOSTPWXPOO-LBPRGKRZSA-N 2 0 278.356 -0.252 20 0 CBADRP Cc1c[nH+]ccc1N1CCN(C(=O)[C@]2(N)CC[NH2+]C2)CC1 ZINC001161306255 815738454 /nfs/dbraw/zinc/73/84/54/815738454.db2.gz IRCKFPBETXLWMA-HNNXBMFYSA-N 2 0 289.383 -0.271 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC2(CCC(=O)N2)CC1 ZINC001161297576 815738588 /nfs/dbraw/zinc/73/85/88/815738588.db2.gz ZEXABMHXAOCCAG-JTQLQIEISA-N 2 0 268.361 -0.676 20 0 CBADRP CCN(C(=O)[C@]1(N)CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001161329465 815741461 /nfs/dbraw/zinc/74/14/61/815741461.db2.gz CVGXCSOZSVWOIJ-AAEUAGOBSA-N 2 0 254.378 -0.332 20 0 CBADRP CCN(C(=O)/C=C/C(=O)NCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161332202 815741479 /nfs/dbraw/zinc/74/14/79/815741479.db2.gz LYDUEWYAYGXLMA-QRGHLMKCSA-N 2 0 268.361 -0.782 20 0 CBADRP CCN(C(=O)[C@@H]1C[NH2+]CC[C@@H]1O)[C@H]1CCC[NH2+]C1 ZINC001161333094 815742554 /nfs/dbraw/zinc/74/25/54/815742554.db2.gz QQALEWKOOZRZRU-TUAOUCFPSA-N 2 0 255.362 -0.443 20 0 CBADRP CCN(C(=O)[C@@H]1C[NH2+]C[C@H](O)C1)[C@@H]1CCC[NH2+]C1 ZINC001161333878 815743175 /nfs/dbraw/zinc/74/31/75/815743175.db2.gz XXEMUDWFSRNYHM-QJPTWQEYSA-N 2 0 255.362 -0.443 20 0 CBADRP CCN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161337840 815744349 /nfs/dbraw/zinc/74/43/49/815744349.db2.gz AMMBACKICMJWKX-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP CC(C)N(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)[C@H]1CC[NH2+]C1 ZINC001161351206 815745348 /nfs/dbraw/zinc/74/53/48/815745348.db2.gz GYHGIADITOYWNP-ZDEQEGDKSA-N 2 0 266.389 -0.465 20 0 CBADRP CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1OC(C)=O)[C@@H]1CCC[NH2+]C1 ZINC001161339865 815745374 /nfs/dbraw/zinc/74/53/74/815745374.db2.gz NEGGUIHSIFTQEO-UPJWGTAASA-N 2 0 283.372 -0.262 20 0 CBADRP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N(C(C)C)[C@H]1CC[NH2+]C1 ZINC001161353577 815746388 /nfs/dbraw/zinc/74/63/88/815746388.db2.gz UCXVZFDOQYBEHD-AVGNSLFASA-N 2 0 283.372 -0.264 20 0 CBADRP CC(C)N(C(=O)CN1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001161352698 815746424 /nfs/dbraw/zinc/74/64/24/815746424.db2.gz YWAIUOLCYCYQGN-LBPRGKRZSA-N 2 0 254.378 -0.510 20 0 CBADRP N[C@]1(C(=O)N2CC[C@H](N3CCC([NH3+])CC3)C2)CCC[NH2+]C1 ZINC001161378239 815748271 /nfs/dbraw/zinc/74/82/71/815748271.db2.gz KXMLBCBSZADGNG-DZGCQCFKSA-N 2 0 295.431 -0.909 20 0 CBADRP [NH3+]C1CCN([C@H]2CCN(C(=O)[C@@H]3CC[NH2+]3)C2)CC1 ZINC001161381357 815748535 /nfs/dbraw/zinc/74/85/35/815748535.db2.gz XWEUYMUZGHRRDQ-RYUDHWBXSA-N 2 0 252.362 -0.628 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161381739 815748998 /nfs/dbraw/zinc/74/89/98/815748998.db2.gz ZKVUCMPYNBGHDO-JQWIXIFHSA-N 2 0 254.378 -0.395 20 0 CBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)CNC3CC[NH2+]CC3)C[C@@H]12 ZINC001161413841 815751294 /nfs/dbraw/zinc/75/12/94/815751294.db2.gz RKMHQPXEGSAFCY-CYZMBNFOSA-N 2 0 266.389 -0.476 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161413033 815751578 /nfs/dbraw/zinc/75/15/78/815751578.db2.gz NRBIOUBTNXPCLO-BJDJZHNGSA-N 2 0 280.372 -0.868 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412014 815751947 /nfs/dbraw/zinc/75/19/47/815751947.db2.gz FCMVHQFADSIXLG-SYEHKZFSSA-N 2 0 277.372 -0.514 20 0 CBADRP N[C@]1(C(=O)N2C[C@@H]3[C@H]([NH3+])CC[C@@H]3C2)CCC[NH2+]C1 ZINC001161412326 815752117 /nfs/dbraw/zinc/75/21/17/815752117.db2.gz JMLSSOPGLJOKOT-LSCVPOLPSA-N 2 0 252.362 -0.737 20 0 CBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)CNC3CC[NH2+]CC3)C[C@H]12 ZINC001161413847 815752129 /nfs/dbraw/zinc/75/21/29/815752129.db2.gz RKMHQPXEGSAFCY-WCFLWFBJSA-N 2 0 266.389 -0.476 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)C[C@H]12 ZINC001161413252 815752142 /nfs/dbraw/zinc/75/21/42/815752142.db2.gz ODAXUXCSXHHVAB-ZEPSMKPISA-N 2 0 264.373 -0.868 20 0 CBADRP N=c1ncc(C[NH3+])cn1-c1ncnc2c1CC[NH2+]C2 ZINC001161414992 815752500 /nfs/dbraw/zinc/75/25/00/815752500.db2.gz JSRPBTLWAMLIDO-UHFFFAOYSA-N 2 0 257.301 -0.754 20 0 CBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CC[NH2+]C[C@H]4O3)C[C@H]12 ZINC001161414690 815753346 /nfs/dbraw/zinc/75/33/46/815753346.db2.gz YPIXQTZWGSOVAD-ARFNZGECSA-N 2 0 279.384 -0.051 20 0 CBADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC[NH2+]C1 ZINC001161418779 815753630 /nfs/dbraw/zinc/75/36/30/815753630.db2.gz PTAHPHFSUGXNEF-VIFPVBQESA-N 2 0 257.334 -0.305 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CC[NH2+]C1 ZINC001161419142 815753707 /nfs/dbraw/zinc/75/37/07/815753707.db2.gz ZRIDLAFDPQEQAY-LBPRGKRZSA-N 2 0 276.340 -0.938 20 0 CBADRP O=C([C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161424065 815753757 /nfs/dbraw/zinc/75/37/57/815753757.db2.gz XTQGALGCUVHSDF-RBSFLKMASA-N 2 0 292.427 -0.023 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161420291 815753777 /nfs/dbraw/zinc/75/37/77/815753777.db2.gz FRVRELWOQBKRPW-JQWIXIFHSA-N 2 0 263.345 -0.794 20 0 CBADRP C[NH+](C)CCN(C(=O)CN1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001161444119 815755846 /nfs/dbraw/zinc/75/58/46/815755846.db2.gz CCYJFHBPYYGQGV-AWEZNQCLSA-N 3 0 297.447 -0.966 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@H]1COC(C)(C)[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161447210 815756017 /nfs/dbraw/zinc/75/60/17/815756017.db2.gz WGYJWHJARCKPHG-OLZOCXBDSA-N 3 0 298.431 -0.147 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@]1(N)CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001161444225 815756121 /nfs/dbraw/zinc/75/61/21/815756121.db2.gz FSQRXLTUQQMIEB-UKRRQHHQSA-N 3 0 297.447 -0.791 20 0 CBADRP COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C[C@@H]1C ZINC001161459193 815757118 /nfs/dbraw/zinc/75/71/18/815757118.db2.gz ACHHOXPPEVIVTF-DLOVCJGASA-N 2 0 283.372 -0.419 20 0 CBADRP CN1C(=O)CC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC[C@@H]21 ZINC001161481182 815759174 /nfs/dbraw/zinc/75/91/74/815759174.db2.gz CTQZLYZGZYZODZ-AGIUHOORSA-N 2 0 296.415 -0.088 20 0 CBADRP CN1C(=O)CC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC[C@@H]21 ZINC001161484279 815760089 /nfs/dbraw/zinc/76/00/89/815760089.db2.gz VCVSPUQPMCOONC-WOPDTQHZSA-N 2 0 282.388 -0.478 20 0 CBADRP C[C@@H]1CN(C2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C2)C[C@H](C)O1 ZINC001161493376 815761112 /nfs/dbraw/zinc/76/11/12/815761112.db2.gz MOTLBPPPUJWPRX-LOWVWBTDSA-N 2 0 284.404 -0.627 20 0 CBADRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001161489972 815761606 /nfs/dbraw/zinc/76/16/06/815761606.db2.gz SMZYQDBMRHYWFT-YPMHNXCESA-N 2 0 265.361 -0.133 20 0 CBADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161489490 815761824 /nfs/dbraw/zinc/76/18/24/815761824.db2.gz UAIWLLARHKGPCO-UKRRQHHQSA-N 3 0 297.447 -0.676 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@@H]2CO[C@]3(C2)CCC[NH2+]CC3)C[C@@H]1[NH3+] ZINC001161491934 815761966 /nfs/dbraw/zinc/76/19/66/815761966.db2.gz JZPCCXAVMXTWHZ-RMRHIDDWSA-N 2 0 297.399 -0.280 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)C[C@@H]1[NH3+] ZINC001161493889 815763676 /nfs/dbraw/zinc/76/36/76/815763676.db2.gz UQEVGAYNQSRXGG-RWMBFGLXSA-N 3 0 286.420 -0.334 20 0 CBADRP CC1(C)C[NH2+][C@](C)(C(=O)N2C[C@H]([NH3+])C3(COC3)C2)C1 ZINC001161507910 815764782 /nfs/dbraw/zinc/76/47/82/815764782.db2.gz BXCIWJUONSSJEF-GWCFXTLKSA-N 2 0 267.373 -0.049 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])CC(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161508643 815764979 /nfs/dbraw/zinc/76/49/79/815764979.db2.gz FQNNYBKYNYSVIX-GHMZBOCLSA-N 2 0 285.388 -0.295 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161508669 815765062 /nfs/dbraw/zinc/76/50/62/815765062.db2.gz GAHZJHFUAXICAK-QWRGUYRKSA-N 2 0 255.362 -0.193 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC12COC2 ZINC001161510822 815765210 /nfs/dbraw/zinc/76/52/10/815765210.db2.gz SATQQKRCRWGSQE-UONOGXRCSA-N 2 0 287.363 -0.113 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)CC12COC2 ZINC001161509862 815765338 /nfs/dbraw/zinc/76/53/38/815765338.db2.gz LSILJHRATLYYSI-LPEHRKFASA-N 2 0 257.309 -0.737 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@@]2([NH3+])CCc3ccccc32)CC12COC2 ZINC001161511158 815766246 /nfs/dbraw/zinc/76/62/46/815766246.db2.gz XSDZHYYXJIJJGG-XJKSGUPXSA-N 2 0 287.363 -0.027 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC12COC2 ZINC001161511114 815766606 /nfs/dbraw/zinc/76/66/06/815766606.db2.gz WQLMZZCSZAFQRC-NWDGAFQWSA-N 3 0 294.399 -0.953 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001161530075 815768314 /nfs/dbraw/zinc/76/83/14/815768314.db2.gz QTBKWCVVQPMBSA-WTPMCQDGSA-N 2 0 253.346 -0.299 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001161530285 815768453 /nfs/dbraw/zinc/76/84/53/815768453.db2.gz UOSLLJBOZYXIKA-WOPDTQHZSA-N 3 0 266.389 -0.191 20 0 CBADRP O=C([C@H]1C[NH2+][C@@H]2CCO[C@@H]21)N1CC[NH2+]C2(CC2)C1 ZINC001161544945 815769950 /nfs/dbraw/zinc/76/99/50/815769950.db2.gz JSMAKJTVEUPXSA-HBNTYKKESA-N 2 0 251.330 -0.672 20 0 CBADRP CO[C@H]1CC[NH2+][C@@H](C(=O)N2CC[NH2+]C3(CC3)C2)C1 ZINC001161550461 815770339 /nfs/dbraw/zinc/77/03/39/815770339.db2.gz JFLWKCZXLQSVOB-WDEREUQCSA-N 2 0 253.346 -0.282 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550256 815770669 /nfs/dbraw/zinc/77/06/69/815770669.db2.gz FZDJREMCGGYEFD-NSHDSACASA-N 3 0 254.378 -0.203 20 0 CBADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[NH2+]C2(CC2)C1 ZINC001161556318 815771843 /nfs/dbraw/zinc/77/18/43/815771843.db2.gz LAZINWXOWCSVIQ-UHFFFAOYSA-N 2 0 261.329 -0.367 20 0 CBADRP N[C@@H](C[NH3+])C(=O)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161595769 815772708 /nfs/dbraw/zinc/77/27/08/815772708.db2.gz UXCDIXAXKGJYIB-ZDUSSCGKSA-N 2 0 274.368 -0.107 20 0 CBADRP COCCOC1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161572398 815773002 /nfs/dbraw/zinc/77/30/02/815773002.db2.gz MSZQHGJSDLZANH-NSHDSACASA-N 2 0 259.350 -0.684 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001161644321 815775837 /nfs/dbraw/zinc/77/58/37/815775837.db2.gz LMFSAELXIDCFBM-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP O=C(NCCC[NH2+][C@H]1CCNC1=O)C12CCC[NH+]1CCC2 ZINC001161789655 815787612 /nfs/dbraw/zinc/78/76/12/815787612.db2.gz TZXVZOOBNFRLEV-LBPRGKRZSA-N 2 0 294.399 -0.401 20 0 CBADRP [NH3+]C1CCN(CCNc2ncnc3c2CC[NH2+]C3)CC1 ZINC001161867429 815790885 /nfs/dbraw/zinc/79/08/85/815790885.db2.gz QOPLMIPOXUJBQB-UHFFFAOYSA-N 2 0 276.388 -0.043 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])c1ccc2[nH]c(N)[nH+]c2c1 ZINC001162128864 815804942 /nfs/dbraw/zinc/80/49/42/815804942.db2.gz MCZLOHDQWZOJIT-UHFFFAOYSA-N 2 0 269.330 -0.130 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])c1cnc2c(c1)C[NH2+]CC2 ZINC001162128798 815805433 /nfs/dbraw/zinc/80/54/33/815805433.db2.gz KVIGWFDYIJKQSO-UHFFFAOYSA-N 2 0 270.358 -0.548 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])c1cccc(N2CC[NH2+]CC2)c1 ZINC001162130570 815806727 /nfs/dbraw/zinc/80/67/27/815806727.db2.gz BTIAACRGZVRDDY-UHFFFAOYSA-N 2 0 298.412 -0.179 20 0 CBADRP CNC(=O)c1ccc(NCCC[NH2+]CCCC[NH3+])nn1 ZINC001162294406 815812641 /nfs/dbraw/zinc/81/26/41/815812641.db2.gz IMSMJCWYBWQBNA-UHFFFAOYSA-N 2 0 280.376 -0.033 20 0 CBADRP O=C(NCCC[NH2+]CCO)c1ccn(-c2cc[nH+]cc2)n1 ZINC001162322323 815812938 /nfs/dbraw/zinc/81/29/38/815812938.db2.gz NKQYZMBBJFCIKT-UHFFFAOYSA-N 2 0 289.339 -0.031 20 0 CBADRP O=C(NCCC[NH2+]CCCO)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162851324 815845996 /nfs/dbraw/zinc/84/59/96/815845996.db2.gz NZDWCYJXKZLJBN-JVWICGRDSA-N 2 0 297.399 -0.672 20 0 CBADRP COC(=O)Cc1cc(N[C@@H]2COC[C@@H]2[NH3+])cc[nH+]1 ZINC001162925177 815848743 /nfs/dbraw/zinc/84/87/43/815848743.db2.gz QAOPEUSRUZHFDU-WDEREUQCSA-N 2 0 251.286 -0.065 20 0 CBADRP COC(=O)[C@@H](Nc1cc2c(nn1)C[NH2+]C2)C(C)(C)[NH3+] ZINC001162942818 815849990 /nfs/dbraw/zinc/84/99/90/815849990.db2.gz TWARRNQDMUYXLI-SNVBAGLBSA-N 2 0 265.317 -0.229 20 0 CBADRP C[NH+]1CCN(c2ccc(N[C@@H]3COC[C@@H]3[NH3+])nc2)CC1 ZINC001162926648 815850597 /nfs/dbraw/zinc/85/05/97/815850597.db2.gz YJTYUKDALOUQTO-QWHCGFSZSA-N 2 0 277.372 -0.029 20 0 CBADRP c1cc(C2C[NH2+]C2)nc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)n1 ZINC001163141043 815860843 /nfs/dbraw/zinc/86/08/43/815860843.db2.gz BKIZECABVJCQCG-YUSALJHKSA-N 2 0 261.329 -0.438 20 0 CBADRP c1cc(N2CC[NH2+]CC2)ncc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163141348 815861187 /nfs/dbraw/zinc/86/11/87/815861187.db2.gz HCHXVTFCOAKJQS-MGPQQGTHSA-N 2 0 289.383 -0.110 20 0 CBADRP c1cnc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c(N2CC[NH2+]CC2)c1 ZINC001163140515 815861204 /nfs/dbraw/zinc/86/12/04/815861204.db2.gz JRTCYPFRIKCTQQ-JHJVBQTASA-N 2 0 289.383 -0.110 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ncc3c(n2)C[NH2+]CC3)N1 ZINC001163235030 815865935 /nfs/dbraw/zinc/86/59/35/815865935.db2.gz AZGPGSCYIWJXHR-GWCFXTLKSA-N 2 0 274.328 -0.888 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)C(N)=O ZINC001163231606 815866203 /nfs/dbraw/zinc/86/62/03/815866203.db2.gz FXUBATMHXRMZEP-YPMHNXCESA-N 2 0 296.415 -0.170 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ncc3c(n2)C[NH2+]CC3)N1 ZINC001163235048 815866618 /nfs/dbraw/zinc/86/66/18/815866618.db2.gz AZGPGSCYIWJXHR-GXFFZTMASA-N 2 0 274.328 -0.888 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2nccc(C3C[NH2+]C3)n2)N1 ZINC001163240404 815871534 /nfs/dbraw/zinc/87/15/34/815871534.db2.gz JWTIUPVRSRALGP-GWCFXTLKSA-N 2 0 274.328 -0.847 20 0 CBADRP c1cc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)ncc1OC1C[NH2+]C1 ZINC001163347560 815879142 /nfs/dbraw/zinc/87/91/42/815879142.db2.gz FADTYMXAFOKGFC-DYEKYZERSA-N 2 0 276.340 -0.027 20 0 CBADRP Cc1nnc(C[NH3+])n1-c1cncc(N2CC[NH2+]CC2)n1 ZINC001163348515 815879993 /nfs/dbraw/zinc/87/99/93/815879993.db2.gz FQVWCOPJSOHUMB-UHFFFAOYSA-N 2 0 274.332 -0.766 20 0 CBADRP C[NH+](C)CCC(=O)NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001298412548 816681733 /nfs/dbraw/zinc/68/17/33/816681733.db2.gz HHWQBPVUOBOIKL-ZFDPJTLLSA-N 2 0 296.415 -0.322 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1)[NH+](C)C ZINC001316625123 816872065 /nfs/dbraw/zinc/87/20/65/816872065.db2.gz RSDVBOHDEDXFDS-TUAOUCFPSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCOCCO ZINC001316778734 816879978 /nfs/dbraw/zinc/87/99/78/816879978.db2.gz VAJNJBLOJYPHNM-RDBSUJKOSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](C)[C@H]2CCNC2=O)C1 ZINC001316851439 816892834 /nfs/dbraw/zinc/89/28/34/816892834.db2.gz WSEIBLQCLCJCEW-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](O)C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001316865767 816894188 /nfs/dbraw/zinc/89/41/88/816894188.db2.gz SCKDEUYKZAZYRS-NWDGAFQWSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@H](O)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001316865769 816895612 /nfs/dbraw/zinc/89/56/12/816895612.db2.gz SCKDEUYKZAZYRS-RYUDHWBXSA-N 2 0 257.378 -0.243 20 0 CBADRP CC[N@H+](CCCNC(=O)CC[NH+](C)C)[C@H]1CCNC1=O ZINC001316901335 816899802 /nfs/dbraw/zinc/89/98/02/816899802.db2.gz GSKRSZDNINVUML-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)CC(N)=O ZINC001316895291 816901008 /nfs/dbraw/zinc/90/10/08/816901008.db2.gz NCHXIGLRSRUHFQ-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC(N)=O ZINC001316909926 816903065 /nfs/dbraw/zinc/90/30/65/816903065.db2.gz WXSGJLZDVAAXLB-LLVKDONJSA-N 2 0 270.377 -0.748 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](C[C@H](C)O)C1 ZINC001316990605 816917392 /nfs/dbraw/zinc/91/73/92/816917392.db2.gz CHTQKWCQDKRSGE-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1)C1CCC1 ZINC001317112575 816933467 /nfs/dbraw/zinc/93/34/67/816933467.db2.gz BVVZTYFFEXKQFD-PHIMTYICSA-N 2 0 255.362 -0.300 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC[NH+]2CCO)C1 ZINC001317511453 816999719 /nfs/dbraw/zinc/99/97/19/816999719.db2.gz ASXKXQBYCJCJFN-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP CNC(=O)C[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001317630612 817035658 /nfs/dbraw/zinc/03/56/58/817035658.db2.gz HGZZFJDLQMJFFE-UHFFFAOYSA-N 2 0 270.377 -0.878 20 0 CBADRP C[N@H+](CCO)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001317862410 817053430 /nfs/dbraw/zinc/05/34/30/817053430.db2.gz WKRPFNGCRIBXCD-CYBMUJFWSA-N 2 0 269.389 -0.145 20 0 CBADRP C[N@H+](CC(=O)NCC1C[NH+](CCCO)C1)C1CCC1 ZINC001318128010 817078705 /nfs/dbraw/zinc/07/87/05/817078705.db2.gz FITFMRMGSAGVET-UHFFFAOYSA-N 2 0 269.389 -0.099 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C ZINC001319238862 817179545 /nfs/dbraw/zinc/17/95/45/817179545.db2.gz XIPKVEUNGDWKEP-JTQLQIEISA-N 2 0 258.366 -0.974 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NCC[NH+]2CCC2)CC1 ZINC001319420212 817202389 /nfs/dbraw/zinc/20/23/89/817202389.db2.gz SERDTFUSXLPDTG-UHFFFAOYSA-N 2 0 268.405 -0.164 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCn1cccn1 ZINC001320204694 817291488 /nfs/dbraw/zinc/29/14/88/817291488.db2.gz QGTPDGPRRXIOMR-QWHCGFSZSA-N 2 0 295.387 -0.956 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCn1cccn1 ZINC001320204693 817291943 /nfs/dbraw/zinc/29/19/43/817291943.db2.gz QGTPDGPRRXIOMR-OLZOCXBDSA-N 2 0 295.387 -0.956 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCOC)CC[N@@H+]1C ZINC001320230525 817300214 /nfs/dbraw/zinc/30/02/14/817300214.db2.gz KDCRRSHCZVKEJM-RWMBFGLXSA-N 2 0 287.404 -0.570 20 0 CBADRP CC(C)[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320238709 817301074 /nfs/dbraw/zinc/30/10/74/817301074.db2.gz RQCRBDDRSNWOJU-NEPJUHHUSA-N 2 0 257.378 -0.054 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](O)C[NH2+]CCO)C1 ZINC001320262353 817307062 /nfs/dbraw/zinc/30/70/62/817307062.db2.gz GYPQUNUZLCZFKI-CHWSQXEVSA-N 2 0 287.404 -0.833 20 0 CBADRP C[NH+]1CCC(CC(=O)NC[C@@H](O)C[NH2+]CCF)CC1 ZINC001320284177 817314387 /nfs/dbraw/zinc/31/43/87/817314387.db2.gz TXEBBNSCUZTOTM-LBPRGKRZSA-N 2 0 275.368 -0.246 20 0 CBADRP C[C@@H](CC[NH2+]Cc1cnn(C)n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320516179 817348502 /nfs/dbraw/zinc/34/85/02/817348502.db2.gz HJZQHXBWZWABPZ-WCQYABFASA-N 2 0 294.403 -0.106 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]CC(=O)NC)CC[N@@H+]1C ZINC001320738532 817385152 /nfs/dbraw/zinc/38/51/52/817385152.db2.gz YVAVEDWNZLXRRG-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CCN(CC[NH2+]CC(=O)N(C)C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001320839991 817401196 /nfs/dbraw/zinc/40/11/96/817401196.db2.gz HEFDIMAIQATGJA-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP CCN(CC[NH2+]C[C@@H](C)O)C(=O)C12CC[NH+](CC1)C2 ZINC001320891800 817408685 /nfs/dbraw/zinc/40/86/85/817408685.db2.gz RXZDJTQYHKSVGU-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP CCCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001320922607 817411068 /nfs/dbraw/zinc/41/10/68/817411068.db2.gz VADURQUYWIJIHL-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP COCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320998070 817425972 /nfs/dbraw/zinc/42/59/72/817425972.db2.gz MRMJIJANQIIPID-PCAWENJQSA-N 2 0 255.362 -0.011 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)CC[NH+](C)C ZINC001321220710 817464051 /nfs/dbraw/zinc/46/40/51/817464051.db2.gz CCJFXVZYMXOVFB-ISALQUGTSA-N 2 0 270.377 -0.665 20 0 CBADRP CN(C)C(=O)C[NH2+]C/C=C/CNC(=O)CC[NH+](C)C ZINC001321224953 817465593 /nfs/dbraw/zinc/46/55/93/817465593.db2.gz XIBGBGBLGVHHTR-AATRIKPKSA-N 2 0 270.377 -0.712 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]CC(=O)N1CCC1 ZINC001321418972 817497661 /nfs/dbraw/zinc/49/76/61/817497661.db2.gz NBFBCVWJOOKQEC-SNAWJCMRSA-N 2 0 296.415 -0.179 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1O)[NH+](C)C ZINC001219869453 824905350 /nfs/dbraw/zinc/90/53/50/824905350.db2.gz MPSWIYGBIOOQGE-UTUOFQBUSA-N 2 0 257.378 -0.104 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCCN1CCC(F)(F)C1 ZINC001220807208 825103902 /nfs/dbraw/zinc/10/39/02/825103902.db2.gz CXDJELURSNIKCQ-VIFPVBQESA-N 2 0 264.320 -0.490 20 0 CBADRP C[NH+](C)CCNC(=S)NCCC[N@H+](C)CCO ZINC001249853509 825750557 /nfs/dbraw/zinc/75/05/57/825750557.db2.gz NWNBGKUFGOHBLD-UHFFFAOYSA-N 2 0 262.423 -0.674 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[C@@H](O)C[NH2+]C)C1 ZINC001263160962 826746083 /nfs/dbraw/zinc/74/60/83/826746083.db2.gz SDPIWAMVIULLSX-WOPDTQHZSA-N 2 0 257.378 -0.197 20 0 CBADRP Cc1nc(N(CC[NH3+])CCO)cc(N2CCOCC2)[nH+]1 ZINC001163828443 819853975 /nfs/dbraw/zinc/85/39/75/819853975.db2.gz VCXMFEICFUWLEB-UHFFFAOYSA-N 2 0 281.360 -0.621 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001163821797 819854009 /nfs/dbraw/zinc/85/40/09/819854009.db2.gz QFNCIBOJCDTVGF-LLVKDONJSA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@@H]1CN(c2ccc(N(CC[NH3+])CCO)nn2)CC[NH2+]1 ZINC001163827652 819855042 /nfs/dbraw/zinc/85/50/42/819855042.db2.gz JFVVBLFGZMYPOM-LLVKDONJSA-N 2 0 280.376 -0.968 20 0 CBADRP [NH3+]CCN(CCO)c1ccc2c(c1)COC21C[NH2+]C1 ZINC001163835710 819857491 /nfs/dbraw/zinc/85/74/91/819857491.db2.gz BFGMBDFSRIHXPN-UHFFFAOYSA-N 2 0 263.341 -0.227 20 0 CBADRP [NH3+]CCN(CCO)c1cccc(CN2CC[C@@H]([NH3+])C2)c1 ZINC001163835818 819858712 /nfs/dbraw/zinc/85/87/12/819858712.db2.gz FYKWNXZCTCUXCV-CQSZACIVSA-N 2 0 278.400 -0.023 20 0 CBADRP [NH3+]CCN(CCO)c1ccc2nc([C@H]3CC[NH2+]C3)nn2c1 ZINC001163839818 819860143 /nfs/dbraw/zinc/86/01/43/819860143.db2.gz QODXKLRJLQWDNX-NSHDSACASA-N 2 0 290.371 -0.436 20 0 CBADRP Cc1cc(C[NH3+])nn1-c1nccc(N2CC[NH2+]CC2)n1 ZINC001163977482 819878621 /nfs/dbraw/zinc/87/86/21/819878621.db2.gz CUXZLOOUIJQJGF-UHFFFAOYSA-N 2 0 273.344 -0.161 20 0 CBADRP CC(C)[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@H](C)O)C1 ZINC001164538299 819922221 /nfs/dbraw/zinc/92/22/21/819922221.db2.gz CPCPQQGCMKGDHM-QWHCGFSZSA-N 2 0 287.404 -0.428 20 0 CBADRP [NH3+]C1CCN(c2cccc(N3C[C@H](CO)[C@H](O)C3)[nH+]2)CC1 ZINC001164543826 819925711 /nfs/dbraw/zinc/92/57/11/819925711.db2.gz FQIRXEGLEKZCDI-DGCLKSJQSA-N 2 0 292.383 -0.202 20 0 CBADRP C[NH+]1CCN(c2cccc(N3C[C@@H](O)[C@@H]([NH3+])C3)n2)CC1 ZINC001165147601 819940286 /nfs/dbraw/zinc/94/02/86/819940286.db2.gz JJKNZZDIKWUYGF-NWDGAFQWSA-N 2 0 277.372 -0.658 20 0 CBADRP C[NH+]1CCN(c2ccc(N3C[C@H]([NH3+])[C@@H](F)C3)nn2)CC1 ZINC001165120603 819940440 /nfs/dbraw/zinc/94/04/40/819940440.db2.gz QEKCEJGUHDSEPO-QWRGUYRKSA-N 2 0 280.351 -0.286 20 0 CBADRP C[NH+]1C[C@H]2CN(c3cncc(N4CC[NH2+]CC4)n3)C[C@@H]2C1 ZINC001165154220 819941259 /nfs/dbraw/zinc/94/12/59/819941259.db2.gz YWTIEXVUGUTITK-STQMWFEESA-N 2 0 288.399 -0.116 20 0 CBADRP CO[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)C[C@@H]1[NH3+] ZINC001165204112 819943716 /nfs/dbraw/zinc/94/37/16/819943716.db2.gz ASZUBVLTSCVRHN-STQMWFEESA-N 2 0 291.399 -0.004 20 0 CBADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CCn2cncn2)CC1 ZINC001165263994 819944017 /nfs/dbraw/zinc/94/40/17/819944017.db2.gz YXEMAOZANWJRMS-UHFFFAOYSA-N 2 0 294.403 -0.284 20 0 CBADRP CN1CC[C@H]([NH2+]CCCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001165262114 819944590 /nfs/dbraw/zinc/94/45/90/819944590.db2.gz FUUYUGYXVDEPDX-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001165263985 819944914 /nfs/dbraw/zinc/94/49/14/819944914.db2.gz YOQMRKSYPFJCOX-NSHDSACASA-N 2 0 284.404 -0.312 20 0 CBADRP CN1CC[C@@H]([NH2+]CCCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001165262104 819944919 /nfs/dbraw/zinc/94/49/19/819944919.db2.gz FUUYUGYXVDEPDX-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](O)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165262893 819945085 /nfs/dbraw/zinc/94/50/85/819945085.db2.gz KZESZGRWNPDDER-NSHDSACASA-N 2 0 257.378 -0.195 20 0 CBADRP Cn1cnnc1C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165254639 819945215 /nfs/dbraw/zinc/94/52/15/819945215.db2.gz RRFFCBLWIWNJPX-UHFFFAOYSA-N 2 0 294.403 -0.247 20 0 CBADRP OC[C@@]12C[NH2+]C[C@@H]1CN(c1cc(C3C[NH2+]C3)ncn1)C2 ZINC001165284370 819947612 /nfs/dbraw/zinc/94/76/12/819947612.db2.gz SAYFSTTYEBKFIO-RISCZKNCSA-N 2 0 275.356 -0.819 20 0 CBADRP c1nc(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)nc2c1C[NH2+]C2 ZINC001165292584 819948628 /nfs/dbraw/zinc/94/86/28/819948628.db2.gz NQIRRXJJDKHRRM-ZWNOBZJWSA-N 2 0 275.356 -0.106 20 0 CBADRP c1c2c(nnc1N1CCO[C@@H]3C[NH2+]CC[C@@H]3C1)CC[NH2+]C2 ZINC001165291950 819949214 /nfs/dbraw/zinc/94/92/14/819949214.db2.gz HRLCDJPRMUTOOP-BXUZGUMPSA-N 2 0 289.383 -0.063 20 0 CBADRP c1nc2c(c(N3CCOCC34C[NH2+]C4)n1)CC[NH2+]C2 ZINC001165287405 819949893 /nfs/dbraw/zinc/94/98/93/819949893.db2.gz DXWFFNUAXBIABW-UHFFFAOYSA-N 2 0 261.329 -0.699 20 0 CBADRP CC[C@H]([NH2+]CCCNC(=O)CCC[NH+](C)C)C(N)=O ZINC001165359439 819957272 /nfs/dbraw/zinc/95/72/72/819957272.db2.gz AVOXTVSUAOVDOA-NSHDSACASA-N 2 0 272.393 -0.312 20 0 CBADRP CN(C)C(=O)C[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165359517 819957779 /nfs/dbraw/zinc/95/77/79/819957779.db2.gz CUJYSJCNYCLTDG-UHFFFAOYSA-N 2 0 272.393 -0.488 20 0 CBADRP Cn1[nH]c(C[NH2+]CCCNC(=O)CCC[NH+](C)C)nc1=O ZINC001165367136 819958548 /nfs/dbraw/zinc/95/85/48/819958548.db2.gz NQVXEXRZXWYJIW-UHFFFAOYSA-N 2 0 298.391 -0.954 20 0 CBADRP c1cc(N2CCC[C@@H]3[NH2+]C[C@@H]32)nnc1N1CC[NH2+]CC1 ZINC001165390445 819960047 /nfs/dbraw/zinc/96/00/47/819960047.db2.gz LEAQRZWLYAHYSC-RYUDHWBXSA-N 2 0 274.372 -0.173 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1c1ccc2c(n1)CC[NH2+]C2 ZINC001165437911 819961176 /nfs/dbraw/zinc/96/11/76/819961176.db2.gz UYKWRIHGTKIDGR-LBPRGKRZSA-N 2 0 276.340 -0.322 20 0 CBADRP COCc1nn(-c2cc(C[NH3+])ncn2)c2c1C[NH2+]C2 ZINC001165632710 819979317 /nfs/dbraw/zinc/97/93/17/819979317.db2.gz VHRAFRSBYJTNPN-UHFFFAOYSA-N 2 0 260.301 -0.129 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165772016 819982282 /nfs/dbraw/zinc/98/22/82/819982282.db2.gz GFCWHKCXAGSICV-UHFFFAOYSA-N 2 0 270.377 -0.830 20 0 CBADRP CN(CC1CC1)C(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165794195 819983727 /nfs/dbraw/zinc/98/37/27/819983727.db2.gz LVENNLXTIFUXJG-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001165800995 819983757 /nfs/dbraw/zinc/98/37/57/819983757.db2.gz KSFMONARYQCDKU-UHFFFAOYSA-N 2 0 298.387 -0.817 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)CC[NH+](C)C)c1nncn1C ZINC001165780994 819983866 /nfs/dbraw/zinc/98/38/66/819983866.db2.gz BSFBGOYJVAIQHE-LLVKDONJSA-N 2 0 282.392 -0.076 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166004843 819987982 /nfs/dbraw/zinc/98/79/82/819987982.db2.gz ZZPZGIITIYGUGQ-CYBMUJFWSA-N 2 0 286.420 -0.195 20 0 CBADRP CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001166004317 819988017 /nfs/dbraw/zinc/98/80/17/819988017.db2.gz KRBYROFMQJJGEG-CYBMUJFWSA-N 2 0 286.420 -0.243 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]Cc1cn(C)nn1 ZINC001166626791 820009464 /nfs/dbraw/zinc/00/94/64/820009464.db2.gz JKFAODCJTBTIDD-GFCCVEGCSA-N 2 0 294.403 -0.105 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001166626464 820009943 /nfs/dbraw/zinc/00/99/43/820009943.db2.gz GTVUJBJUUCRWRR-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001166634268 820010654 /nfs/dbraw/zinc/01/06/54/820010654.db2.gz RPGZESQLJPBDIT-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001166677802 820013468 /nfs/dbraw/zinc/01/34/68/820013468.db2.gz NKESSIQMJYXAGQ-OLZOCXBDSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(N)=O ZINC001166676647 820013913 /nfs/dbraw/zinc/01/39/13/820013913.db2.gz AJUDTIDPJQPVPF-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166678133 820014413 /nfs/dbraw/zinc/01/44/13/820014413.db2.gz SWAWYXZQWSGAAD-CHWSQXEVSA-N 2 0 287.404 -0.569 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]Cc2cnn(C)n2)C1 ZINC001166667469 820014778 /nfs/dbraw/zinc/01/47/78/820014778.db2.gz BQPZBKDSRNRQJM-LBPRGKRZSA-N 2 0 294.403 -0.247 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1cnon1 ZINC001166692883 820015995 /nfs/dbraw/zinc/01/59/95/820015995.db2.gz QXXHIEMIHYLVGO-PWSUYJOCSA-N 2 0 281.360 -0.137 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCn1cncn1 ZINC001166693481 820016484 /nfs/dbraw/zinc/01/64/84/820016484.db2.gz SPLMQEBUWJCRSZ-CHWSQXEVSA-N 2 0 294.403 -0.428 20 0 CBADRP CC[C@@H]([NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(N)=O ZINC001166678511 820016724 /nfs/dbraw/zinc/01/67/24/820016724.db2.gz WAJOAFPCXOWWHH-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCCO ZINC001166691826 820016749 /nfs/dbraw/zinc/01/67/49/820016749.db2.gz NZKQTQJOBZRHGU-VXGBXAGGSA-N 2 0 257.378 -0.338 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1cn(C)nn1 ZINC001166715143 820018075 /nfs/dbraw/zinc/01/80/75/820018075.db2.gz SMVMADNZJDLUJE-WCQYABFASA-N 2 0 294.403 -0.391 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+][C@H](C)c1nnnn1C)[NH+](C)C ZINC001166858451 820041794 /nfs/dbraw/zinc/04/17/94/820041794.db2.gz VATASYOLHFRGIS-MNOVXSKESA-N 2 0 297.407 -0.293 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001166857981 820042189 /nfs/dbraw/zinc/04/21/89/820042189.db2.gz IZZNYSWRXONJKD-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001166857624 820042267 /nfs/dbraw/zinc/04/22/67/820042267.db2.gz FHTGXDQCGITDRQ-JTQLQIEISA-N 2 0 283.380 -0.854 20 0 CBADRP CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(C)C)[NH+](C)C ZINC001166857985 820042399 /nfs/dbraw/zinc/04/23/99/820042399.db2.gz JBLLACKFOPFNJL-LBPRGKRZSA-N 2 0 286.420 -0.053 20 0 CBADRP [NH3+]C[C@H]1CN(c2cncc(N3CC[NH2+]CC3)n2)CCO1 ZINC001166940469 820049662 /nfs/dbraw/zinc/04/96/62/820049662.db2.gz IDIDJNFDVIAKPY-NSHDSACASA-N 2 0 278.360 -0.950 20 0 CBADRP C[NH+](C)CCC(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001166970986 820058261 /nfs/dbraw/zinc/05/82/61/820058261.db2.gz AXWAZPWAKLQLBW-UHFFFAOYSA-N 2 0 270.377 -0.701 20 0 CBADRP [NH3+][C@H]1CN(c2cccc(N3CCC([NH3+])CC3)n2)C[C@H]1O ZINC001167093619 820071984 /nfs/dbraw/zinc/07/19/84/820071984.db2.gz XKDZKWHYDYALMO-NWDGAFQWSA-N 2 0 277.372 -0.483 20 0 CBADRP CC[C@@H](C(=O)NCCC1(C[NH2+]CC(=O)NC)CC1)[NH+](C)C ZINC001167258274 820077158 /nfs/dbraw/zinc/07/71/58/820077158.db2.gz WGWGMUIUCJQXGZ-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+]1CCC(CC(=O)NCCC[NH2+][C@H]2CCNC2=O)CC1 ZINC001167655148 820107772 /nfs/dbraw/zinc/10/77/72/820107772.db2.gz GMAHFFQXJZLLFJ-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167667552 820107868 /nfs/dbraw/zinc/10/78/68/820107868.db2.gz LGQASISZSFATSB-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1-c1cc2c(nn1)C[NH2+]C2 ZINC001167672118 820110613 /nfs/dbraw/zinc/11/06/13/820110613.db2.gz GFFVWCKXLOSWFE-UHFFFAOYSA-N 2 0 257.301 -0.488 20 0 CBADRP C[NH+]1CCN(c2ccc(-n3nnc(CC[NH3+])n3)nc2)CC1 ZINC001167792521 820120089 /nfs/dbraw/zinc/12/00/89/820120089.db2.gz HKUXLDCSYSWUEX-UHFFFAOYSA-N 2 0 288.359 -0.690 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001167815036 820121505 /nfs/dbraw/zinc/12/15/05/820121505.db2.gz MOMGJJNJQBRHCV-UHFFFAOYSA-N 2 0 284.404 -0.310 20 0 CBADRP NC(=O)c1ncc(NC(=[NH2+])NCCCC[NH3+])cn1 ZINC001167878447 820124758 /nfs/dbraw/zinc/12/47/58/820124758.db2.gz LKPOXYQFSCAGGI-UHFFFAOYSA-N 2 0 251.294 -0.749 20 0 CBADRP NC(=O)c1ccc(NC(=[NH2+])NCCCC[NH3+])cn1 ZINC001167878213 820124960 /nfs/dbraw/zinc/12/49/60/820124960.db2.gz HWLJFINOTJUHPS-UHFFFAOYSA-N 2 0 250.306 -0.144 20 0 CBADRP CNC(=O)c1cnc(NC(=[NH2+])NCCCC[NH3+])nc1 ZINC001167877434 820125765 /nfs/dbraw/zinc/12/57/65/820125765.db2.gz CYCJJJGTTOJSGE-UHFFFAOYSA-N 2 0 265.321 -0.489 20 0 CBADRP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168029177 820138554 /nfs/dbraw/zinc/13/85/54/820138554.db2.gz DHXXYVQYPDDKFV-NEPJUHHUSA-N 2 0 282.388 -0.416 20 0 CBADRP NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168029184 820138565 /nfs/dbraw/zinc/13/85/65/820138565.db2.gz DHXXYVQYPDDKFV-VXGBXAGGSA-N 2 0 282.388 -0.416 20 0 CBADRP COCC[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168051302 820143634 /nfs/dbraw/zinc/14/36/34/820143634.db2.gz DTXMOIAMLHJMMQ-UHFFFAOYSA-N 2 0 297.403 -0.199 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NCCC[NH2+]CCO)cn1 ZINC001168052726 820143951 /nfs/dbraw/zinc/14/39/51/820143951.db2.gz VGORLRTUBMRHNI-UHFFFAOYSA-N 2 0 283.376 -0.854 20 0 CBADRP O=C(C[NH+]1CCCC1)NCCC1(C[NH2+]CCO)CC1 ZINC001168162163 820145696 /nfs/dbraw/zinc/14/56/96/820145696.db2.gz FJEJGOYHENDCNO-UHFFFAOYSA-N 2 0 269.389 -0.049 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCCC2(C[NH2+]CC(N)=O)CC2)C1 ZINC001168136069 820145751 /nfs/dbraw/zinc/14/57/51/820145751.db2.gz FKCIXOYTJJXGSB-NSHDSACASA-N 2 0 282.388 -0.701 20 0 CBADRP C[C@@H]([NH2+]CC1(CCNC(=O)C[NH+]2CCCC2)CC1)C(N)=O ZINC001168148076 820146022 /nfs/dbraw/zinc/14/60/22/820146022.db2.gz ZRCCHGPTPHEWHD-GFCCVEGCSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@H](NC(=O)[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1)C(N)=O ZINC001168312016 820155731 /nfs/dbraw/zinc/15/57/31/820155731.db2.gz HLAOQWAOKWKWKR-JYBOHDQNSA-N 2 0 284.404 -0.173 20 0 CBADRP C[C@H]1CN(c2ccc(-n3ccnc3C(N)=[NH2+])nn2)CC[NH2+]1 ZINC001168411754 820160945 /nfs/dbraw/zinc/16/09/45/820160945.db2.gz LCBDXMJPADXLJU-VIFPVBQESA-N 2 0 286.343 -0.256 20 0 CBADRP NC(=[NH2+])c1nccn1-c1ccnc(N2CC[NH2+]CC2)n1 ZINC001168412136 820160982 /nfs/dbraw/zinc/16/09/82/820160982.db2.gz UMESFGYZJHMZMW-UHFFFAOYSA-N 2 0 272.316 -0.644 20 0 CBADRP NC(=[NH2+])c1nccn1-c1cccnc1OC1C[NH2+]C1 ZINC001168420051 820162021 /nfs/dbraw/zinc/16/20/21/820162021.db2.gz NGQCQCJFLUGXFO-UHFFFAOYSA-N 2 0 258.285 -0.098 20 0 CBADRP C[NH+]1CCN(C(=[NH2+])Nc2ncc3c(n2)NC(=O)CO3)CC1 ZINC001168737184 820172747 /nfs/dbraw/zinc/17/27/47/820172747.db2.gz WHRHOHHKCMBJRO-UHFFFAOYSA-N 2 0 291.315 -0.598 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CC(=O)NC(C)C ZINC001168755240 820173628 /nfs/dbraw/zinc/17/36/28/820173628.db2.gz JRQHFKNYQKBACZ-UHFFFAOYSA-N 2 0 286.420 -0.051 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001168762667 820181109 /nfs/dbraw/zinc/18/11/09/820181109.db2.gz FZORCVSRVIFFOA-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP [NH3+]Cc1nnnn1-c1[nH]c(C2CC[NH2+]CC2)cc2ncnc1-2 ZINC001168918373 820190252 /nfs/dbraw/zinc/19/02/52/820190252.db2.gz XBWRWBAACOTKOV-UHFFFAOYSA-N 2 0 299.342 -0.141 20 0 CBADRP CSc1nc(C2C[NH2+]C2)cc(-n2nnnc2C[NH3+])n1 ZINC001168918798 820190878 /nfs/dbraw/zinc/19/08/78/820190878.db2.gz LHSQRYBROQAZQG-UHFFFAOYSA-N 2 0 278.345 -0.680 20 0 CBADRP [NH3+]Cc1nnnn1-c1c[nH+]ccc1N1CCOCC1 ZINC001168920477 820190978 /nfs/dbraw/zinc/19/09/78/820190978.db2.gz SVSCHXVPYCBALL-UHFFFAOYSA-N 2 0 261.289 -0.647 20 0 CBADRP [NH3+]Cc1nnnn1-c1ccc(CN2CC[NH2+]CC2)cc1 ZINC001168919887 820191046 /nfs/dbraw/zinc/19/10/46/820191046.db2.gz AMDGVJAIIVEISE-UHFFFAOYSA-N 2 0 273.344 -0.474 20 0 CBADRP Cc1nc([C@@H]2CCC[NH2+]C2)cc(-n2nnnc2C[NH3+])n1 ZINC001168918812 820191084 /nfs/dbraw/zinc/19/10/84/820191084.db2.gz LUCJUYNISQXRIO-SECBINFHSA-N 2 0 274.332 -0.314 20 0 CBADRP [NH3+]Cc1nnnn1-c1cncc([C@H]2C[NH+]3CCC2CC3)n1 ZINC001168920794 820192610 /nfs/dbraw/zinc/19/26/10/820192610.db2.gz KBMUYRUEXGBHAF-JTQLQIEISA-N 2 0 286.343 -0.280 20 0 CBADRP COCC[N@H+](C)Cc1ccnc(-n2nnnc2C[NH3+])c1 ZINC001168921213 820193038 /nfs/dbraw/zinc/19/30/38/820193038.db2.gz VROSWGNGEBYGTH-UHFFFAOYSA-N 2 0 277.332 -0.406 20 0 CBADRP Cc1nc(CC[NH3+])nn1-c1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001168987555 820198691 /nfs/dbraw/zinc/19/86/91/820198691.db2.gz RCCMYCHPAUNSON-NSHDSACASA-N 2 0 289.343 -0.392 20 0 CBADRP Cc1nc(CC[NH3+])nn1-c1cccnc1OC1C[NH2+]C1 ZINC001168989681 820200204 /nfs/dbraw/zinc/20/02/04/820200204.db2.gz PTCWLVYMXUMPLI-UHFFFAOYSA-N 2 0 274.328 -0.177 20 0 CBADRP [NH3+][C@@H](CO)Cc1cncn1-c1ccc2c(n1)OCC[NH2+]C2 ZINC001169071200 820203587 /nfs/dbraw/zinc/20/35/87/820203587.db2.gz HGNQKTAYDRYROC-LLVKDONJSA-N 2 0 289.339 -0.389 20 0 CBADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1CN(S(C)(=O)=O)C1)C2 ZINC001169099357 820207656 /nfs/dbraw/zinc/20/76/56/820207656.db2.gz QNKLLKQXGZOQJC-YHPBZONMSA-N 2 0 273.402 -0.155 20 0 CBADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CC(=O)NC1=O)C2 ZINC001169108052 820208712 /nfs/dbraw/zinc/20/87/12/820208712.db2.gz NNTWQKDBGSEOMR-DBIOUOCHSA-N 2 0 251.330 -0.136 20 0 CBADRP CC[NH+]1CCC([NH2+]CCN2C(=O)C=CC2=O)CC1 ZINC001169225313 820214044 /nfs/dbraw/zinc/21/40/44/820214044.db2.gz SBTASTCONLQGDM-UHFFFAOYSA-N 2 0 251.330 -0.015 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@@H](NC(=[NH2+])NCCCC[NH3+])CO1 ZINC001169321151 820230158 /nfs/dbraw/zinc/23/01/58/820230158.db2.gz LDXSZLVVKZBYDO-MNOVXSKESA-N 2 0 286.376 -0.050 20 0 CBADRP CC(=O)N1CC[C@H]([N@H+](C)CCN2CC[NH+](C)CC2)C1 ZINC001169555654 820255600 /nfs/dbraw/zinc/25/56/00/820255600.db2.gz JTSBGGMDJXBCGM-AWEZNQCLSA-N 2 0 268.405 -0.214 20 0 CBADRP COC(=O)[C@@H](C[NH3+])C[NH2+][C@@H]1CCCN(C(C)=O)C1 ZINC001169578949 820258995 /nfs/dbraw/zinc/25/89/95/820258995.db2.gz HVTCYLQFPXACCP-WDEREUQCSA-N 2 0 257.334 -0.665 20 0 CBADRP CC(=O)N1CCC[C@H]([NH2+]CCC[N@H+](C)CCO)C1 ZINC001169594135 820259706 /nfs/dbraw/zinc/25/97/06/820259706.db2.gz KQPVJFIHHCLSSH-ZDUSSCGKSA-N 2 0 257.378 -0.099 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CCOCCO ZINC001170211465 820280507 /nfs/dbraw/zinc/28/05/07/820280507.db2.gz MNGONYSXCWNQTF-UHFFFAOYSA-N 2 0 275.393 -0.567 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@H](C)C(=O)NC ZINC001170222937 820282227 /nfs/dbraw/zinc/28/22/27/820282227.db2.gz OGPAYVJCGLIZPA-LLVKDONJSA-N 2 0 272.393 -0.441 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@H](C)c1nnnn1C ZINC001170221965 820283205 /nfs/dbraw/zinc/28/32/05/820283205.db2.gz GECSIIDKQBGYCM-LLVKDONJSA-N 2 0 297.407 -0.291 20 0 CBADRP CN(CC[NH3+])CCNc1nccc(C2C[NH2+]C2)n1 ZINC001170502405 820295440 /nfs/dbraw/zinc/29/54/40/820295440.db2.gz VLXVXMZXHNJZOU-UHFFFAOYSA-N 2 0 250.350 -0.534 20 0 CBADRP [NH3+]CCOCCOCCNc1cc2c(nn1)C[NH2+]C2 ZINC001170507868 820297837 /nfs/dbraw/zinc/29/78/37/820297837.db2.gz LHQJNCAOSIHOLV-UHFFFAOYSA-N 2 0 267.333 -0.516 20 0 CBADRP C[C@@H](Nc1ccnc(N2CC[NH2+]CC2)n1)[C@H]1C[NH2+]CCO1 ZINC001170557942 820305315 /nfs/dbraw/zinc/30/53/15/820305315.db2.gz JEYJQPODCWIEKA-VXGBXAGGSA-N 2 0 292.387 -0.325 20 0 CBADRP C[C@H](Nc1nccnc1N1CC[NH2+]CC1)[C@H]1C[NH2+]CCO1 ZINC001170558027 820305611 /nfs/dbraw/zinc/30/56/11/820305611.db2.gz KEGAOWNEGIZQIR-NWDGAFQWSA-N 2 0 292.387 -0.325 20 0 CBADRP C[C@@H](Nc1nccc(N2CC[NH2+]CC2)n1)[C@H]1C[NH2+]CCO1 ZINC001170557518 820305746 /nfs/dbraw/zinc/30/57/46/820305746.db2.gz CKBWQPWMNAQMSS-VXGBXAGGSA-N 2 0 292.387 -0.325 20 0 CBADRP OC[C@@H]1C[NH2+]C[C@H]1Nc1cc[nH+]c(N2CCOCC2)c1 ZINC001170774203 820317400 /nfs/dbraw/zinc/31/74/00/820317400.db2.gz AJVDQRAJEZAOOX-WCQYABFASA-N 2 0 278.356 -0.090 20 0 CBADRP COC(OC)c1c(C[NH3+])ccnc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170773626 820318466 /nfs/dbraw/zinc/31/84/66/820318466.db2.gz IEKVLASBJIYPLK-MNOVXSKESA-N 2 0 296.371 -0.176 20 0 CBADRP [NH3+]C1CCN(c2cncc(N[C@H]3C[NH2+]C[C@@H]3CO)n2)CC1 ZINC001170776861 820319867 /nfs/dbraw/zinc/31/98/67/820319867.db2.gz PMODETUIXULSRK-PWSUYJOCSA-N 2 0 292.387 -0.604 20 0 CBADRP CC[C@]([NH3+])(CO)Nc1ccnc(N2CC[NH2+]CC2)n1 ZINC001170855176 820328197 /nfs/dbraw/zinc/32/81/97/820328197.db2.gz OVDNZJPVVYSEAZ-GFCCVEGCSA-N 2 0 266.349 -0.645 20 0 CBADRP CC[C@]([NH3+])(CO)Nc1nccnc1N1CC[NH2+]CC1 ZINC001170855481 820328648 /nfs/dbraw/zinc/32/86/48/820328648.db2.gz UXMHHCDFSAZKBA-GFCCVEGCSA-N 2 0 266.349 -0.645 20 0 CBADRP CC[C@@]([NH3+])(CO)Nc1nccnc1N1CC[NH2+]CC1 ZINC001170855482 820329470 /nfs/dbraw/zinc/32/94/70/820329470.db2.gz UXMHHCDFSAZKBA-LBPRGKRZSA-N 2 0 266.349 -0.645 20 0 CBADRP CC[C@@]([NH3+])(CO)Nc1cncc(N2CCC([NH3+])CC2)n1 ZINC001170857135 820329819 /nfs/dbraw/zinc/32/98/19/820329819.db2.gz CIQWYDMMEFNRLZ-ZDUSSCGKSA-N 2 0 280.376 -0.127 20 0 CBADRP CC[C@]([NH3+])(CO)Nc1ccc(OC2C[NH2+]C2)cn1 ZINC001170866623 820331747 /nfs/dbraw/zinc/33/17/47/820331747.db2.gz UXDNEORLJPDPJR-GFCCVEGCSA-N 2 0 252.318 -0.099 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1nccc2c1OCC(=O)N2 ZINC001170897111 820332530 /nfs/dbraw/zinc/33/25/30/820332530.db2.gz DJDSCBQYHVNGRE-QMMMGPOBSA-N 2 0 251.290 -0.152 20 0 CBADRP C[C@@H]1CN(c2ccc(N[C@H]([NH3+])CCC[NH3+])nn2)CC[NH2+]1 ZINC001170897099 820332584 /nfs/dbraw/zinc/33/25/84/820332584.db2.gz DBTHOJBGXNNAFL-MNOVXSKESA-N 3 0 279.392 -0.290 20 0 CBADRP NC(=O)c1nc(Cl)nc(N[C@H]([NH3+])CCC[NH3+])c1F ZINC001170899831 820334232 /nfs/dbraw/zinc/33/42/32/820334232.db2.gz YDIDQSLDOOGPOF-BYPYZUCNSA-N 2 0 276.703 -0.196 20 0 CBADRP COc1cc(N[C@@H]([NH3+])CCC[NH3+])nc([S@](C)=O)n1 ZINC001170899985 820334747 /nfs/dbraw/zinc/33/47/47/820334747.db2.gz ZHHHOUFVKKKLNS-MDTSDYNXSA-N 2 0 273.362 -0.342 20 0 CBADRP COC(=O)c1coc(=O)c(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001170900025 820335017 /nfs/dbraw/zinc/33/50/17/820335017.db2.gz OJKPJACQMRNDCC-SECBINFHSA-N 2 0 255.274 -0.138 20 0 CBADRP NS(=O)(=O)c1ccc(N[C@H]([NH3+])CCC[NH3+])cc1F ZINC001170900350 820335137 /nfs/dbraw/zinc/33/51/37/820335137.db2.gz KILIZNNOXXOORQ-JTQLQIEISA-N 2 0 276.337 -0.091 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncccc1N1C(=O)C=CC1=O ZINC001170899951 820335299 /nfs/dbraw/zinc/33/52/99/820335299.db2.gz ZCWARRZPKZLRGL-JTQLQIEISA-N 2 0 275.312 -0.053 20 0 CBADRP Cn1ncc(Br)c(N[C@@H]([NH3+])CCC[NH3+])c1=O ZINC001170900894 820335805 /nfs/dbraw/zinc/33/58/05/820335805.db2.gz RCKNZAYABWRUHZ-SSDOTTSWSA-N 2 0 290.165 -0.022 20 0 CBADRP Cn1nnc(-c2ccc(N[C@H]([NH3+])CCC[NH3+])cn2)n1 ZINC001170900208 820335908 /nfs/dbraw/zinc/33/59/08/820335908.db2.gz QKDRLKJEMOTJMP-JTQLQIEISA-N 2 0 262.321 -0.292 20 0 CBADRP COC(=O)Cc1ncc(N[C@H]([NH3+])CCC[NH3+])cn1 ZINC001170898982 820335996 /nfs/dbraw/zinc/33/59/96/820335996.db2.gz FWQXMUHDPNNVCX-VIFPVBQESA-N 2 0 253.306 -0.372 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171160216 820348410 /nfs/dbraw/zinc/34/84/10/820348410.db2.gz CQCUHABCIUOAAO-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP Cc1nonc1C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171204508 820349614 /nfs/dbraw/zinc/34/96/14/820349614.db2.gz BKCXUDQWODAKCJ-UHFFFAOYSA-N 2 0 299.375 -0.448 20 0 CBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]Cc1ccon1 ZINC001171205041 820349949 /nfs/dbraw/zinc/34/99/49/820349949.db2.gz KKUXISCQIHWNCE-UHFFFAOYSA-N 2 0 284.360 -0.151 20 0 CBADRP Cn1ncc(C[NH2+]CCCNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001171215849 820350028 /nfs/dbraw/zinc/35/00/28/820350028.db2.gz DEMZSZLHCKVVHW-GFCCVEGCSA-N 2 0 294.403 -0.247 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171217408 820351235 /nfs/dbraw/zinc/35/12/35/820351235.db2.gz MMRWUIFGBWZNDY-CHWSQXEVSA-N 2 0 287.404 -0.569 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001171226953 820351372 /nfs/dbraw/zinc/35/13/72/820351372.db2.gz KVHMJIQBAGCVBS-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171218752 820351749 /nfs/dbraw/zinc/35/17/49/820351749.db2.gz SNMZYULHDZBPCN-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP Cn1nnnc1C[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171218610 820351940 /nfs/dbraw/zinc/35/19/40/820351940.db2.gz QHPFHCZAZFYVCD-LLVKDONJSA-N 2 0 295.391 -0.852 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171217409 820352476 /nfs/dbraw/zinc/35/24/76/820352476.db2.gz MMRWUIFGBWZNDY-QWHCGFSZSA-N 2 0 287.404 -0.569 20 0 CBADRP O=C(NCCC[NH2+]Cc1cnon1)C12CC[NH+](CC1)C2 ZINC001171293321 820355967 /nfs/dbraw/zinc/35/59/67/820355967.db2.gz HOPRJIAOSJZVMH-UHFFFAOYSA-N 2 0 279.344 -0.239 20 0 CBADRP Cn1ncc(C[NH2+]CCCNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001171295218 820357416 /nfs/dbraw/zinc/35/74/16/820357416.db2.gz ZJNAISPKXNUHLP-UHFFFAOYSA-N 2 0 292.387 -0.493 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)CCCC[NH+](C)C)C(N)=O ZINC001171579379 820362209 /nfs/dbraw/zinc/36/22/09/820362209.db2.gz VVGPXPHWVDGANS-LLVKDONJSA-N 2 0 272.393 -0.312 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@H](C)c1nnnn1C ZINC001171763267 820368743 /nfs/dbraw/zinc/36/87/43/820368743.db2.gz WYUMQVFNTMCPPD-LLVKDONJSA-N 2 0 297.407 -0.291 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CCOCCO ZINC001171762424 820368934 /nfs/dbraw/zinc/36/89/34/820368934.db2.gz DJLBYFJHSXSZBG-UHFFFAOYSA-N 2 0 275.393 -0.567 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001171757287 820371251 /nfs/dbraw/zinc/37/12/51/820371251.db2.gz HQSCNVGSPGOFSD-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP [NH3+]CCN1CC[NH+]([C@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172148577 820384244 /nfs/dbraw/zinc/38/42/44/820384244.db2.gz AVCJCQUOAFXLSR-QWHCGFSZSA-N 2 0 266.389 -0.284 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172166923 820388755 /nfs/dbraw/zinc/38/87/55/820388755.db2.gz SDHOVNYVVDJBHG-AVGNSLFASA-N 2 0 296.415 -0.027 20 0 CBADRP [NH3+]CCN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)O2)N(O)N=O ZINC001172222957 820390582 /nfs/dbraw/zinc/39/05/82/820390582.db2.gz LPMKSEOHDNFKJY-FGWVZKOKSA-N 2 0 273.337 -0.166 20 0 CBADRP COCCC[NH+]1CCC(N(CC[NH3+])CCO)CC1 ZINC001172244637 820392016 /nfs/dbraw/zinc/39/20/16/820392016.db2.gz WJNMZAJRXKUMCK-UHFFFAOYSA-N 2 0 259.394 -0.260 20 0 CBADRP COCCC[NH+]1CCC(NC[C@@H](C[NH3+])C(=O)OC)CC1 ZINC001172247239 820392662 /nfs/dbraw/zinc/39/26/62/820392662.db2.gz KQJCFZFJKYNTAJ-GFCCVEGCSA-N 2 0 287.404 -0.175 20 0 CBADRP CC1(C)C[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CO1 ZINC001172280010 820393216 /nfs/dbraw/zinc/39/32/16/820393216.db2.gz QQYYFEPOWVKORA-SECBINFHSA-N 2 0 261.326 -0.308 20 0 CBADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173739593 820410303 /nfs/dbraw/zinc/41/03/03/820410303.db2.gz KDIXYTSIVBHPIR-MXWKQRLJSA-N 2 0 282.348 -0.506 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001176072611 820437673 /nfs/dbraw/zinc/43/76/73/820437673.db2.gz ZZZDJWFFLXVKAF-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP Cn1nccc1C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176072346 820438519 /nfs/dbraw/zinc/43/85/19/820438519.db2.gz QEBWRAJRKZLZGY-GFCCVEGCSA-N 2 0 279.388 -0.032 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176072570 820438700 /nfs/dbraw/zinc/43/87/00/820438700.db2.gz YTHVYWFSPKOJGH-LBPRGKRZSA-N 2 0 284.404 -0.441 20 0 CBADRP Cn1ccc(C[NH2+]CCCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001176072458 820438907 /nfs/dbraw/zinc/43/89/07/820438907.db2.gz UVTWBMMJBWUCLY-LBPRGKRZSA-N 2 0 279.388 -0.032 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001176058094 820438954 /nfs/dbraw/zinc/43/89/54/820438954.db2.gz UKDGYMOQZJVBTM-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CCOCCO)C1 ZINC001176058605 820439015 /nfs/dbraw/zinc/43/90/15/820439015.db2.gz YYCDQGZDCYTPTA-GFCCVEGCSA-N 2 0 273.377 -0.957 20 0 CBADRP Cn1cc(C[NH2+]CCCNC(=O)C[NH+]2CCCC2)nn1 ZINC001176102121 820440614 /nfs/dbraw/zinc/44/06/14/820440614.db2.gz BFNIKJPNDYKXOY-UHFFFAOYSA-N 2 0 280.376 -0.493 20 0 CBADRP O=C(C[NH+]1CCCC1)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001176096289 820440644 /nfs/dbraw/zinc/44/06/44/820440644.db2.gz OOXRQLOOZCGFIB-UHFFFAOYSA-N 2 0 296.415 -0.200 20 0 CBADRP COCCOCC[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176102574 820441585 /nfs/dbraw/zinc/44/15/85/820441585.db2.gz HTGYPUJCAFODNB-UHFFFAOYSA-N 2 0 287.404 -0.159 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CCO ZINC001176161382 820442334 /nfs/dbraw/zinc/44/23/34/820442334.db2.gz OURFRJKVGRSAFO-GFCCVEGCSA-N 2 0 273.377 -0.957 20 0 CBADRP C[C@H](CCCC[NH2+]CCO)NC(=O)COCC[NH+](C)C ZINC001176166104 820442672 /nfs/dbraw/zinc/44/26/72/820442672.db2.gz PGVCXOKYUNHGFM-CYBMUJFWSA-N 2 0 289.420 -0.179 20 0 CBADRP NC(=O)C[NH2+]CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176318959 820445994 /nfs/dbraw/zinc/44/59/94/820445994.db2.gz RIXZFRWTOXDCOZ-UHFFFAOYSA-N 2 0 284.404 -0.166 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CCn1ccnc1 ZINC001176883588 820474673 /nfs/dbraw/zinc/47/46/73/820474673.db2.gz IPXDPMFUTQTNSB-UHFFFAOYSA-N 2 0 252.322 -0.266 20 0 CBADRP O=C(CCC[NH+]1CCCC1)NCCC[NH2+]CCO ZINC001176884492 820475584 /nfs/dbraw/zinc/47/55/84/820475584.db2.gz KGHGCMFAMAQGRO-UHFFFAOYSA-N 2 0 257.378 -0.049 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CCn1cncn1 ZINC001176975254 820485521 /nfs/dbraw/zinc/48/55/21/820485521.db2.gz NQNBDUNZUQIBIY-UHFFFAOYSA-N 2 0 282.392 -0.286 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001176986452 820486984 /nfs/dbraw/zinc/48/69/84/820486984.db2.gz OTWZNONLQJDHDP-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)Cc1ncc(F)cn1 ZINC001177405334 820513116 /nfs/dbraw/zinc/51/31/16/820513116.db2.gz OSEFNZJZWOVEOS-UHFFFAOYSA-N 2 0 268.296 -0.381 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)[C@H]1CN(C)CCO1 ZINC001178417846 820580384 /nfs/dbraw/zinc/58/03/84/820580384.db2.gz GITPYXLTLLRMLU-RWMBFGLXSA-N 2 0 285.388 -0.722 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179431037 820626908 /nfs/dbraw/zinc/62/69/08/820626908.db2.gz MPEHURQYCXEQON-QWRGUYRKSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179481094 820629594 /nfs/dbraw/zinc/62/95/94/820629594.db2.gz ALOUZDITLXPXAM-SRVKXCTJSA-N 2 0 257.378 -0.102 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C)C(N)=O ZINC001179481138 820629859 /nfs/dbraw/zinc/62/98/59/820629859.db2.gz CJJFKRIOEFWSGF-VWYCJHECSA-N 2 0 270.377 -0.609 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179481095 820630003 /nfs/dbraw/zinc/63/00/03/820630003.db2.gz ALOUZDITLXPXAM-WOPDTQHZSA-N 2 0 257.378 -0.102 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179482876 820630503 /nfs/dbraw/zinc/63/05/03/820630503.db2.gz ZHVJUUSWAIFBKY-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C ZINC001179744193 820639327 /nfs/dbraw/zinc/63/93/27/820639327.db2.gz HFMGDZXYMYKVQB-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179924933 820645963 /nfs/dbraw/zinc/64/59/63/820645963.db2.gz HLYOVVJFRGUPGI-AVGNSLFASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001180138866 820651937 /nfs/dbraw/zinc/65/19/37/820651937.db2.gz PQGWZZVPOKAYAY-XQQFMLRXSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])[NH+]1CCCC1 ZINC001180583499 820695822 /nfs/dbraw/zinc/69/58/22/820695822.db2.gz CYQRQNUTBJZSHO-JTQLQIEISA-N 3 0 255.366 -0.068 20 0 CBADRP NC(=O)C1CC[NH+](CCC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC001180612432 820700409 /nfs/dbraw/zinc/70/04/09/820700409.db2.gz NBUQXQSVUVCAJT-NSHDSACASA-N 2 0 268.361 -0.948 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001180638124 820704995 /nfs/dbraw/zinc/70/49/95/820704995.db2.gz BROMPSVAIVEKBE-LLVKDONJSA-N 2 0 297.403 -0.081 20 0 CBADRP C[C@@H](C(=O)N1CC([N@H+](C)[C@H]2CCOC2)C1)[NH+](C)C ZINC001180861704 820734418 /nfs/dbraw/zinc/73/44/18/820734418.db2.gz MDJXDAVGVHFLQW-QWRGUYRKSA-N 2 0 255.362 -0.132 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])C(=O)CC12CCC[NH+]1CCC2 ZINC001181106848 820754908 /nfs/dbraw/zinc/75/49/08/820754908.db2.gz VRISASSXUPCNQH-UHFFFAOYSA-N 2 0 289.401 -0.248 20 0 CBADRP O=C(CC12CCC[NH+]1CCC2)NCC[NH2+]CCO ZINC001181109152 820757367 /nfs/dbraw/zinc/75/73/67/820757367.db2.gz XEIZDTJENBHPQH-UHFFFAOYSA-N 2 0 255.362 -0.297 20 0 CBADRP CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001181652617 820806092 /nfs/dbraw/zinc/80/60/92/820806092.db2.gz NNKPFPQMKASWRT-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ccc(=O)[nH]n1 ZINC001181714513 820817148 /nfs/dbraw/zinc/81/71/48/820817148.db2.gz JDXBYKXFJKAFQE-VIFPVBQESA-N 2 0 280.332 -0.033 20 0 CBADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182007972 820846615 /nfs/dbraw/zinc/84/66/15/820846615.db2.gz AQBAKPMLBZGRPG-SNVBAGLBSA-N 2 0 275.374 -0.925 20 0 CBADRP C[NH+]1CC2(CN(C(=O)C3(O)CC[NH+](C)CC3)C2)C1 ZINC001182035254 820858481 /nfs/dbraw/zinc/85/84/81/820858481.db2.gz ZYGVSHYVJJSTLS-UHFFFAOYSA-N 2 0 253.346 -0.783 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)C1(O)CC[NH+](C)CC1 ZINC001182035143 820858773 /nfs/dbraw/zinc/85/87/73/820858773.db2.gz ZTULENFCNOMZNM-GFCCVEGCSA-N 2 0 285.388 -0.768 20 0 CBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001182411179 820914279 /nfs/dbraw/zinc/91/42/79/820914279.db2.gz XUSAPFHLPJSQSC-IUODEOHRSA-N 2 0 298.431 -0.112 20 0 CBADRP C[NH+](C)C1(C(=O)NCCN2CCC[N@H+](C)CC2)CC1 ZINC001182602821 820929992 /nfs/dbraw/zinc/92/99/92/820929992.db2.gz LKJHUNQISRQTOR-UHFFFAOYSA-N 2 0 268.405 -0.166 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182615738 820931293 /nfs/dbraw/zinc/93/12/93/820931293.db2.gz NSCWIUTVMVCQRF-OLZOCXBDSA-N 2 0 294.399 -0.735 20 0 CBADRP CC(C)[N@@H+]1CC[C@H]1C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001182869987 820950744 /nfs/dbraw/zinc/95/07/44/820950744.db2.gz QLFVIEGSECAZTL-JTQLQIEISA-N 2 0 288.352 -0.866 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001183039899 820968692 /nfs/dbraw/zinc/96/86/92/820968692.db2.gz KRZFDEMKPBFKSV-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001183437194 820994338 /nfs/dbraw/zinc/99/43/38/820994338.db2.gz SYTQOMUNRXMOGR-OCCSQVGLSA-N 2 0 298.431 -0.149 20 0 CBADRP C[C@]1(O)C=C[C@H](O)C(C(=O)N(CCCC[NH3+])C(N)=[NH2+])=C1 ZINC001183552820 821005057 /nfs/dbraw/zinc/00/50/57/821005057.db2.gz ULYBXAJOIATGOZ-GWCFXTLKSA-N 2 0 282.344 -0.945 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC)C1)[NH+](C)C ZINC001183582079 821008214 /nfs/dbraw/zinc/00/82/14/821008214.db2.gz RQGIZGPYLNETLX-IJLUTSLNSA-N 2 0 284.404 -0.348 20 0 CBADRP CC[C@@H]1CCN(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])C1=O ZINC001183673354 821020334 /nfs/dbraw/zinc/02/03/34/821020334.db2.gz JHJJDVXLIFOJSY-SNVBAGLBSA-N 2 0 283.376 -0.294 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001183759199 821032656 /nfs/dbraw/zinc/03/26/56/821032656.db2.gz HCZQTQILWZYUKC-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H](O)Cc1ccc(O)cc1 ZINC001183902425 821039325 /nfs/dbraw/zinc/03/93/25/821039325.db2.gz KBXGMOCVEBHFIC-GFCCVEGCSA-N 2 0 294.355 -0.243 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC001185230436 821104157 /nfs/dbraw/zinc/10/41/57/821104157.db2.gz SCTSRQZHDVGEMD-SNVBAGLBSA-N 2 0 268.361 -0.996 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185229310 821104258 /nfs/dbraw/zinc/10/42/58/821104258.db2.gz AATWAOJRXCBCFU-OLZOCXBDSA-N 2 0 299.415 -0.474 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185248455 821110286 /nfs/dbraw/zinc/11/02/86/821110286.db2.gz GJNBCVWAMXNSHH-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC001185256624 821111361 /nfs/dbraw/zinc/11/13/61/821111361.db2.gz FMCPCZUHFVOCAM-ZDUSSCGKSA-N 2 0 266.389 -0.461 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185249095 821112530 /nfs/dbraw/zinc/11/25/30/821112530.db2.gz NWOCDXZRFNREFX-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001185249520 821112915 /nfs/dbraw/zinc/11/29/15/821112915.db2.gz ZFUFJSFVJHTGRP-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N(CC[NH3+])c1cccnc1 ZINC001185261344 821114127 /nfs/dbraw/zinc/11/41/27/821114127.db2.gz FIAMNFBJBHSUHK-ZDUSSCGKSA-N 2 0 277.372 -0.381 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCOC[C@@H]1C[NH+](C)C ZINC001185258206 821114297 /nfs/dbraw/zinc/11/42/97/821114297.db2.gz QNTIUMLONZDREQ-QWHCGFSZSA-N 2 0 284.404 -0.979 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC([NH+](C)[C@H]2CCOC2)C1 ZINC001185258416 821114493 /nfs/dbraw/zinc/11/44/93/821114493.db2.gz SPJOEIMQPFANSN-GXTWGEPZSA-N 2 0 296.415 -0.836 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185265998 821118762 /nfs/dbraw/zinc/11/87/62/821118762.db2.gz WPKALZWSCIMBJJ-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185385266 821126721 /nfs/dbraw/zinc/12/67/21/821126721.db2.gz NQQGZROIZYNOBJ-GFCCVEGCSA-N 2 0 282.388 -0.735 20 0 CBADRP CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001185416460 821129248 /nfs/dbraw/zinc/12/92/48/821129248.db2.gz WCXYZCJORXMZSQ-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001185407961 821129539 /nfs/dbraw/zinc/12/95/39/821129539.db2.gz IFRMGIZUDZHHNC-GHMZBOCLSA-N 2 0 268.361 -0.983 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001185723599 821139722 /nfs/dbraw/zinc/13/97/22/821139722.db2.gz PAJLKKJTTXTOKB-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC)C1)[NH+](C)C ZINC001185716193 821140446 /nfs/dbraw/zinc/14/04/46/821140446.db2.gz RQGIZGPYLNETLX-TUAOUCFPSA-N 2 0 284.404 -0.348 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001186487216 821183700 /nfs/dbraw/zinc/18/37/00/821183700.db2.gz IHLLEKHPWLKUIF-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001186487588 821184275 /nfs/dbraw/zinc/18/42/75/821184275.db2.gz JMAHRSLAXBDSBU-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001186824811 821199386 /nfs/dbraw/zinc/19/93/86/821199386.db2.gz MUFFHMMRMVBACY-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001186824803 821199398 /nfs/dbraw/zinc/19/93/98/821199398.db2.gz MLDXFJKQFHIGOP-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP COC[C@H](C)[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187106344 821212566 /nfs/dbraw/zinc/21/25/66/821212566.db2.gz FDNJVLMORDMZIJ-QWHCGFSZSA-N 2 0 287.404 -0.210 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187107032 821212635 /nfs/dbraw/zinc/21/26/35/821212635.db2.gz SQLQEJRFTTZUOP-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001187083756 821212719 /nfs/dbraw/zinc/21/27/19/821212719.db2.gz OSJRWSGCVZFDRN-UONOGXRCSA-N 2 0 299.415 -0.472 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121126 821212905 /nfs/dbraw/zinc/21/29/05/821212905.db2.gz DPSGOEODQXKYPM-LLVKDONJSA-N 2 0 280.372 -0.981 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187107031 821213276 /nfs/dbraw/zinc/21/32/76/821213276.db2.gz SQLQEJRFTTZUOP-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001187221153 821218377 /nfs/dbraw/zinc/21/83/77/821218377.db2.gz TYKRYLMMERAUDH-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187231510 821220386 /nfs/dbraw/zinc/22/03/86/821220386.db2.gz NDEQLVJOYAQGPZ-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N(CCO)CC[NH2+]CCO ZINC001279737207 828337313 /nfs/dbraw/zinc/33/73/13/828337313.db2.gz IPQZDWJEVFNUSE-ZIAGYGMSSA-N 2 0 299.415 -0.594 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCO)CCC2)C1 ZINC001280545399 828359076 /nfs/dbraw/zinc/35/90/76/828359076.db2.gz NJVJMPVYGDDUAG-LLVKDONJSA-N 2 0 255.362 -0.441 20 0 CBADRP C[N@H+](CC(=O)N1CCO[C@@H](C[NH2+]CCCO)C1)C1CCC1 ZINC001280595720 828364792 /nfs/dbraw/zinc/36/47/92/828364792.db2.gz OQHHQMBYFXWBAH-AWEZNQCLSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCO[C@H](C[NH2+]CCCO)C1 ZINC001280651631 828370191 /nfs/dbraw/zinc/37/01/91/828370191.db2.gz KURWJQXTVUYFNU-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001187284121 822262525 /nfs/dbraw/zinc/26/25/25/822262525.db2.gz GQDDRBWVIFPFNT-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001187284378 822263811 /nfs/dbraw/zinc/26/38/11/822263811.db2.gz SGIXKIGFYMDIAK-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187818369 822297318 /nfs/dbraw/zinc/29/73/18/822297318.db2.gz NUPFXKQAWMORLG-NWDGAFQWSA-N 2 0 282.388 -0.783 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187818370 822297761 /nfs/dbraw/zinc/29/77/61/822297761.db2.gz NUPFXKQAWMORLG-VXGBXAGGSA-N 2 0 282.388 -0.783 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187843137 822300255 /nfs/dbraw/zinc/30/02/55/822300255.db2.gz VDBJNEBKVXCLIX-CHWSQXEVSA-N 2 0 285.388 -0.720 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001187843225 822301462 /nfs/dbraw/zinc/30/14/62/822301462.db2.gz XYYFKCHIAIZCPT-CYBMUJFWSA-N 2 0 285.388 -0.718 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001188098787 822319584 /nfs/dbraw/zinc/31/95/84/822319584.db2.gz DXIKFKOLAXQVIB-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106365 822320881 /nfs/dbraw/zinc/32/08/81/822320881.db2.gz HYCVLIHNPLHBFG-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001188138706 822321542 /nfs/dbraw/zinc/32/15/42/822321542.db2.gz ABFFWKQNXKFANK-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001188158905 822323305 /nfs/dbraw/zinc/32/33/05/822323305.db2.gz ZNVNVIKSIBZTIP-WDEREUQCSA-N 2 0 270.377 -0.609 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CCOCCO ZINC001282363711 828442488 /nfs/dbraw/zinc/44/24/88/828442488.db2.gz DPBWXRLKPRHBCC-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)CCO ZINC001282477442 828449405 /nfs/dbraw/zinc/44/94/05/828449405.db2.gz JPEFHBZQHGEWQZ-NWDGAFQWSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@H]([NH2+]CCCO)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001282927398 828472295 /nfs/dbraw/zinc/47/22/95/828472295.db2.gz FVKMOKFUNGQDBX-KBPBESRZSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCNC(=O)[C@H]1CCC[NH+]1C ZINC001283139193 828499337 /nfs/dbraw/zinc/49/93/37/828499337.db2.gz WKHANHYJAIUYTM-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001283256461 828510962 /nfs/dbraw/zinc/51/09/62/828510962.db2.gz KPTHYNXZQNBZDW-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CCOCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001283793832 828548880 /nfs/dbraw/zinc/54/88/80/828548880.db2.gz XHMVAIOTXXYOOK-NWDGAFQWSA-N 2 0 273.377 -0.816 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCOC1CCC1 ZINC001283747221 828541592 /nfs/dbraw/zinc/54/15/92/828541592.db2.gz SIVAVNWMAJNLMQ-JSGCOSHPSA-N 2 0 299.415 -0.284 20 0 CBADRP O=C(NC[C@H](CO)[NH2+]CCF)C12CC[NH+](CC1)C2 ZINC001283816739 828552138 /nfs/dbraw/zinc/55/21/38/828552138.db2.gz KQUCOEJBCZUYSE-SNVBAGLBSA-N 2 0 259.325 -0.882 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cncnc1N ZINC001189122488 823738401 /nfs/dbraw/zinc/73/84/01/823738401.db2.gz UNEPXXPZZAVPPZ-UHFFFAOYSA-N 2 0 279.348 -0.264 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCO)[C@@H]1C ZINC001283925858 828560939 /nfs/dbraw/zinc/56/09/39/828560939.db2.gz UKQWGBXYCAWXOK-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCO)[C@H]1C ZINC001283941368 828560951 /nfs/dbraw/zinc/56/09/51/828560951.db2.gz XEGFFZDZBABGIZ-VXGBXAGGSA-N 2 0 257.378 -0.102 20 0 CBADRP CSc1ncc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c(=O)[nH]1 ZINC001191436061 823891690 /nfs/dbraw/zinc/89/16/90/823891690.db2.gz CGYSKKPXILDDQA-UHFFFAOYSA-N 2 0 298.372 -0.021 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192016712 823939080 /nfs/dbraw/zinc/93/90/80/823939080.db2.gz JHKVWDZZCQZPNP-RYUDHWBXSA-N 2 0 296.415 -0.265 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([N@H+](C)CCO)C2)CC1 ZINC001192016664 823939526 /nfs/dbraw/zinc/93/95/26/823939526.db2.gz IBHFXECWBKKXDV-GFCCVEGCSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192029246 823941224 /nfs/dbraw/zinc/94/12/24/823941224.db2.gz IZVVEBFMLUOFFH-NEPJUHHUSA-N 2 0 284.404 -0.265 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152372 823952544 /nfs/dbraw/zinc/95/25/44/823952544.db2.gz GMRXVDNKFMFMNP-MNOVXSKESA-N 2 0 270.377 -0.655 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152370 823954189 /nfs/dbraw/zinc/95/41/89/823954189.db2.gz GMRXVDNKFMFMNP-GHMZBOCLSA-N 2 0 270.377 -0.655 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CCn2cncn2)C1 ZINC001192171106 823956233 /nfs/dbraw/zinc/95/62/33/823956233.db2.gz UDNPKOJVTNRPQJ-CYBMUJFWSA-N 2 0 294.403 -0.238 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@H]2CCNC2=O)C1 ZINC001193630158 824040177 /nfs/dbraw/zinc/04/01/77/824040177.db2.gz GBBHGRSCPSPHGL-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193780578 824044810 /nfs/dbraw/zinc/04/48/10/824044810.db2.gz CUFBYIXWIREKCS-UPJWGTAASA-N 2 0 285.388 -0.866 20 0 CBADRP C[N@H+](CCOCCO)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002304 824054556 /nfs/dbraw/zinc/05/45/56/824054556.db2.gz QZCUHCFRKQQOPJ-KGLIPLIRSA-N 2 0 299.415 -0.520 20 0 CBADRP CNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194001951 824054718 /nfs/dbraw/zinc/05/47/18/824054718.db2.gz LKZJQUSIRRTDHG-NEPJUHHUSA-N 2 0 282.388 -0.783 20 0 CBADRP C[N@H+](CCOCCO)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002299 824054860 /nfs/dbraw/zinc/05/48/60/824054860.db2.gz QZCUHCFRKQQOPJ-KBPBESRZSA-N 2 0 299.415 -0.520 20 0 CBADRP CNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194296036 824068897 /nfs/dbraw/zinc/06/88/97/824068897.db2.gz UTMYEGKJWWQVMD-STQMWFEESA-N 2 0 298.431 -0.006 20 0 CBADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)CCCC1 ZINC001195006953 824097925 /nfs/dbraw/zinc/09/79/25/824097925.db2.gz USSVZVRVOXAXQQ-CHWSQXEVSA-N 2 0 299.415 -0.596 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001195284142 824109608 /nfs/dbraw/zinc/10/96/08/824109608.db2.gz PUPHKVYNARJUMQ-KGLIPLIRSA-N 2 0 299.415 -0.378 20 0 CBADRP CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859357 824134078 /nfs/dbraw/zinc/13/40/78/824134078.db2.gz HSVXOQFPTVBMFH-IJLUTSLNSA-N 2 0 273.377 -0.866 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O ZINC001195870680 824135556 /nfs/dbraw/zinc/13/55/56/824135556.db2.gz JYPKKFJJMZEOCI-ZIAGYGMSSA-N 2 0 299.415 -0.474 20 0 CBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001196169098 824150903 /nfs/dbraw/zinc/15/09/03/824150903.db2.gz OFJCDCZMBZYBND-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196251861 824154605 /nfs/dbraw/zinc/15/46/05/824154605.db2.gz OSVSQQPIBOIPLW-GRYCIOLGSA-N 2 0 257.378 -0.102 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1csc(CO)n1 ZINC001196383464 824159319 /nfs/dbraw/zinc/15/93/19/824159319.db2.gz DYGMTPYWDSDWFH-UHFFFAOYSA-N 2 0 271.346 -0.290 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)COC)C[C@H]1O ZINC001197048514 824177348 /nfs/dbraw/zinc/17/73/48/824177348.db2.gz CLDGGBGZAMSFQG-YNEHKIRRSA-N 2 0 287.404 -0.476 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1O ZINC001197492959 824192591 /nfs/dbraw/zinc/19/25/91/824192591.db2.gz BTAVCYJWSKFUQS-VXGBXAGGSA-N 2 0 257.378 -0.102 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)COC)C[C@H]1O ZINC001197493316 824192979 /nfs/dbraw/zinc/19/29/79/824192979.db2.gz IDRQJXIOGRBCGJ-JHJVBQTASA-N 2 0 287.404 -0.476 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCF)C[C@H]1O ZINC001197536077 824194724 /nfs/dbraw/zinc/19/47/24/824194724.db2.gz IHORBNLWMIWZTQ-VXGBXAGGSA-N 2 0 275.368 -0.151 20 0 CBADRP CC(C)=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825678 824202698 /nfs/dbraw/zinc/20/26/98/824202698.db2.gz FQIYBJQMNYDVEK-ZIAGYGMSSA-N 2 0 299.415 -0.308 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](C)OC)C[C@H]1O ZINC001198028663 824214729 /nfs/dbraw/zinc/21/47/29/824214729.db2.gz FNDFAXIBEZIEIL-JHJVBQTASA-N 2 0 287.404 -0.476 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](C)O)C[C@H]1O ZINC001198028448 824215285 /nfs/dbraw/zinc/21/52/85/824215285.db2.gz ABYKFHKXCCECDD-YNEHKIRRSA-N 2 0 287.404 -0.740 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@H]1O ZINC001198048707 824217141 /nfs/dbraw/zinc/21/71/41/824217141.db2.gz YYJRBMNCIMLDCB-BFHYXJOUSA-N 2 0 299.415 -0.474 20 0 CBADRP COCCn1nc(C)cc1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001198094721 824218216 /nfs/dbraw/zinc/21/82/16/824218216.db2.gz QGSXECCWLCAKBW-UHFFFAOYSA-N 2 0 296.375 -0.088 20 0 CBADRP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198698580 824236038 /nfs/dbraw/zinc/23/60/38/824236038.db2.gz BPYKMTKMPTWJPK-BFHYXJOUSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071190 824247615 /nfs/dbraw/zinc/24/76/15/824247615.db2.gz NJOMCXARGOMNGG-BFHYXJOUSA-N 2 0 299.415 -0.596 20 0 CBADRP COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001199787738 824287611 /nfs/dbraw/zinc/28/76/11/824287611.db2.gz DAGJCOSOJGTXRQ-UONOGXRCSA-N 2 0 299.415 -0.332 20 0 CBADRP COCCC[NH2+]C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC001199943643 824296737 /nfs/dbraw/zinc/29/67/37/824296737.db2.gz NVJYNOAKRHMAHR-CQSZACIVSA-N 2 0 299.415 -0.066 20 0 CBADRP S=C(NCCCN1CCOCC1)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001199947806 824297517 /nfs/dbraw/zinc/29/75/17/824297517.db2.gz QGZOONQVVJORFM-CYBMUJFWSA-N 2 0 298.456 -0.027 20 0 CBADRP COCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200122689 824307726 /nfs/dbraw/zinc/30/77/26/824307726.db2.gz HPFBXDMGCBNJMK-KGLIPLIRSA-N 2 0 299.415 -0.066 20 0 CBADRP C[NH+](C)[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CCO)C1)C1CC1 ZINC001200696170 824324645 /nfs/dbraw/zinc/32/46/45/824324645.db2.gz JIFGAQRZCYYKEO-KBPBESRZSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)CCC(=O)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001201319023 824331070 /nfs/dbraw/zinc/33/10/70/824331070.db2.gz QPMZEMKJBGEFSB-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001201404319 824331912 /nfs/dbraw/zinc/33/19/12/824331912.db2.gz UMIXQRVCDSAKLD-ZIAGYGMSSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CCO)C1)[NH+](C)C ZINC001201411505 824331983 /nfs/dbraw/zinc/33/19/83/824331983.db2.gz SDNGSJLBBCWVNA-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001201402086 824332199 /nfs/dbraw/zinc/33/21/99/824332199.db2.gz ANIXLXYIRZGBBM-KGLIPLIRSA-N 2 0 299.415 -0.472 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001202217776 824342297 /nfs/dbraw/zinc/34/22/97/824342297.db2.gz UOLDDALATUCCQI-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP Cn1nnnc1C[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202316235 824346680 /nfs/dbraw/zinc/34/66/80/824346680.db2.gz RVDMITFOQOUXFS-UHFFFAOYSA-N 2 0 295.391 -0.758 20 0 CBADRP C[C@@H](O)C[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202316269 824346731 /nfs/dbraw/zinc/34/67/31/824346731.db2.gz TXMYFEFGCHIZPC-LLVKDONJSA-N 2 0 257.378 -0.101 20 0 CBADRP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Cn1ccnn1 ZINC001202748371 824351792 /nfs/dbraw/zinc/35/17/92/824351792.db2.gz ABJTVCZPEYUFED-RWMBFGLXSA-N 2 0 265.361 -0.145 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001203203126 824359323 /nfs/dbraw/zinc/35/93/23/824359323.db2.gz GZGLBZJPWKQWIU-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001203203121 824360339 /nfs/dbraw/zinc/36/03/39/824360339.db2.gz GYQUJTYICSNDJR-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203323289 824360656 /nfs/dbraw/zinc/36/06/56/824360656.db2.gz CPXOTXKYWJELND-VXGBXAGGSA-N 2 0 296.415 -0.170 20 0 CBADRP CNC(=O)C[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203337997 824361752 /nfs/dbraw/zinc/36/17/52/824361752.db2.gz ZNSLZDYNGCRARM-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](O)C[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203348718 824361870 /nfs/dbraw/zinc/36/18/70/824361870.db2.gz CBUNFVVSNAWQFU-LBPRGKRZSA-N 2 0 287.404 -0.474 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203791238 824362918 /nfs/dbraw/zinc/36/29/18/824362918.db2.gz FOZVYBUUADLKTA-VXGBXAGGSA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001203925900 824363809 /nfs/dbraw/zinc/36/38/09/824363809.db2.gz YKRIRQHPMGVJHH-ZDUSSCGKSA-N 2 0 296.415 -0.204 20 0 CBADRP CC1(C)O[C@@H]2O[C@@H](C[NH+]3CCC(C[NH3+])CC3)[C@@H](O)[C@@H]2O1 ZINC001205026201 824373671 /nfs/dbraw/zinc/37/36/71/824373671.db2.gz NONGAUZZCIVGNL-RNJOBUHISA-N 2 0 286.372 -0.106 20 0 CBADRP Cn1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c(=O)n(C)c1=O ZINC001205116788 824374563 /nfs/dbraw/zinc/37/45/63/824374563.db2.gz IFDLMOIOEGZMBJ-NSHDSACASA-N 2 0 266.345 -0.603 20 0 CBADRP CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2CCC[C@@H]([NH3+])CC2)O1 ZINC001205095215 824374610 /nfs/dbraw/zinc/37/46/10/824374610.db2.gz VMHCRXUEUBGVAP-FVCCEPFGSA-N 2 0 288.388 -0.327 20 0 CBADRP Nc1nccnc1C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205230133 824376424 /nfs/dbraw/zinc/37/64/24/824376424.db2.gz QREPUGHIGRVUNE-GFCCVEGCSA-N 2 0 251.334 -0.266 20 0 CBADRP C[NH+]1CCN(c2ccc(CN3C[C@@H]([NH3+])[C@H](O)C3)cn2)CC1 ZINC001205363036 824378134 /nfs/dbraw/zinc/37/81/34/824378134.db2.gz BZKGYQKJMAIYHL-ZIAGYGMSSA-N 2 0 291.399 -0.663 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCC(C[NH2+]CC(N)=O)CC1)[NH+](C)C ZINC001205490376 824379150 /nfs/dbraw/zinc/37/91/50/824379150.db2.gz CMYDGUHGUJKQFL-AWEZNQCLSA-N 2 0 298.431 -0.114 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001205526122 824379519 /nfs/dbraw/zinc/37/95/19/824379519.db2.gz FJJFHAIREVPNFA-CYBMUJFWSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H]1CC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@@H]1C[NH3+] ZINC001205638843 824380499 /nfs/dbraw/zinc/38/04/99/824380499.db2.gz SMNDFGLENZLIII-VXGBXAGGSA-N 2 0 294.399 -0.109 20 0 CBADRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC001205690690 824380765 /nfs/dbraw/zinc/38/07/65/824380765.db2.gz WUDIKFNUBFGTMG-LBPRGKRZSA-N 2 0 268.317 -0.437 20 0 CBADRP [NH3+]C[C@]1(O)CCCC[N@H+](CCN2CCOCC2)C1 ZINC001205665784 824380846 /nfs/dbraw/zinc/38/08/46/824380846.db2.gz VGZAQWXNJIOEKJ-CYBMUJFWSA-N 2 0 257.378 -0.506 20 0 CBADRP [NH3+]C[C@]1(O)CCCC[N@H+](CC[C@H]2C[NH2+]CCO2)C1 ZINC001205665821 824380902 /nfs/dbraw/zinc/38/09/02/824380902.db2.gz VXVWEYCXTYNTLN-QWHCGFSZSA-N 3 0 257.378 -0.459 20 0 CBADRP [NH3+][C@@H]1CCN(Cc2cccc(N3CC[NH2+]CC3)c2)C[C@H]1O ZINC001205958238 824391295 /nfs/dbraw/zinc/39/12/95/824391295.db2.gz AAXDWJRRANOOMK-HZPDHXFCSA-N 2 0 290.411 -0.010 20 0 CBADRP C[C@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CCC[C@H]1C[NH3+] ZINC001206012755 824391510 /nfs/dbraw/zinc/39/15/10/824391510.db2.gz NLNAIGZITNQOOI-RYUDHWBXSA-N 2 0 294.399 -0.109 20 0 CBADRP O=C(Cc1cnc[nH]1)N1CCC(C[NH2+]CCO)CC1 ZINC001206411508 824397816 /nfs/dbraw/zinc/39/78/16/824397816.db2.gz SXFWAJKFPWOASX-UHFFFAOYSA-N 2 0 266.345 -0.227 20 0 CBADRP [NH3+][C@@H]1C[C@@H](F)CN(Cc2cnc3n2CC[NH2+]CC3)C1 ZINC001206414715 824399445 /nfs/dbraw/zinc/39/94/45/824399445.db2.gz PFDUDKSUZSQDTO-GHMZBOCLSA-N 2 0 267.352 -0.100 20 0 CBADRP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001206468878 824400638 /nfs/dbraw/zinc/40/06/38/824400638.db2.gz LIWDAVRKTXXDSW-NWDGAFQWSA-N 2 0 274.328 -0.382 20 0 CBADRP [NH3+]CCNC(=O)c1cccc(CN2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206481684 824400870 /nfs/dbraw/zinc/40/08/70/824400870.db2.gz YFKFPEHHMJMGNN-UONOGXRCSA-N 2 0 292.383 -0.874 20 0 CBADRP [NH3+]C[C@H]1C[N@H+](Cc2ccc(CCO)cc2)C[C@H]1O ZINC001206481674 824401006 /nfs/dbraw/zinc/40/10/06/824401006.db2.gz XWLUOCXOZWHWSQ-UONOGXRCSA-N 2 0 250.342 -0.027 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]CC(N)=O)CC2)C1 ZINC001206872572 824407761 /nfs/dbraw/zinc/40/77/61/824407761.db2.gz KKLJFKHTFPFKSZ-CYBMUJFWSA-N 2 0 296.415 -0.358 20 0 CBADRP NC(=O)C[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001206929022 824413182 /nfs/dbraw/zinc/41/31/82/824413182.db2.gz RBUYHSYXZIFAAT-UHFFFAOYSA-N 2 0 282.388 -0.604 20 0 CBADRP C[NH+]1CCC(C[NH+]2CC(N3CCNC(=O)C3)C2)CC1 ZINC001207398644 824426780 /nfs/dbraw/zinc/42/67/80/824426780.db2.gz FMHAKFOVJGSYTM-UHFFFAOYSA-N 2 0 266.389 -0.556 20 0 CBADRP c1ncnc(N2CC[NH+](CC3CC[NH2+]CC3)CC2)n1 ZINC001207441429 824427937 /nfs/dbraw/zinc/42/79/37/824427937.db2.gz BNZHNTOBACWOTL-UHFFFAOYSA-N 2 0 262.361 -0.007 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001208335672 824450275 /nfs/dbraw/zinc/45/02/75/824450275.db2.gz XYNLMJOXNMYGPB-GXTWGEPZSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001208328823 824450826 /nfs/dbraw/zinc/45/08/26/824450826.db2.gz INSHLAQJPBYQRR-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001208423430 824451635 /nfs/dbraw/zinc/45/16/35/824451635.db2.gz KCVBPWNELJYJMF-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208494350 824454142 /nfs/dbraw/zinc/45/41/42/824454142.db2.gz QSNMFBNJQAIGMH-GRYCIOLGSA-N 2 0 257.378 -0.245 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001208992955 824460647 /nfs/dbraw/zinc/46/06/47/824460647.db2.gz FCCUDBWCQZPXNX-MELADBBJSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001209315541 824469051 /nfs/dbraw/zinc/46/90/51/824469051.db2.gz QVHLOFJEBRLFKD-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209420037 824470542 /nfs/dbraw/zinc/47/05/42/824470542.db2.gz RFANDZIDGUEDTP-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001209454583 824471687 /nfs/dbraw/zinc/47/16/87/824471687.db2.gz MHKOOAWWOCFQDH-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209455547 824472197 /nfs/dbraw/zinc/47/21/97/824472197.db2.gz USUPLAZQPWZJMR-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001209455556 824472387 /nfs/dbraw/zinc/47/23/87/824472387.db2.gz UULIHYFCSDQYFI-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001209641335 824474222 /nfs/dbraw/zinc/47/42/22/824474222.db2.gz IPWRGQLMTDITFK-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001209641338 824474353 /nfs/dbraw/zinc/47/43/53/824474353.db2.gz IPWRGQLMTDITFK-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP O[C@@H]1C[NH2+]CCN(C[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC001210400324 824479504 /nfs/dbraw/zinc/47/95/04/824479504.db2.gz UCGWLHSWFBKYLI-LSDHHAIUSA-N 2 0 261.369 -0.033 20 0 CBADRP COCC[NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210667008 824480747 /nfs/dbraw/zinc/48/07/47/824480747.db2.gz BWQKQICKFDIFPJ-ZDUSSCGKSA-N 2 0 287.404 -0.208 20 0 CBADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342484 824511173 /nfs/dbraw/zinc/51/11/73/824511173.db2.gz ZZPWPYKWOHIPGX-VXGBXAGGSA-N 2 0 285.388 -0.864 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1OC ZINC001213759295 824515795 /nfs/dbraw/zinc/51/57/95/824515795.db2.gz FJXVWBXWKLUZDA-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC)C[C@H]1OC ZINC001213759414 824516200 /nfs/dbraw/zinc/51/62/00/824516200.db2.gz KDAOGBZUOZGISC-CHWSQXEVSA-N 2 0 287.404 -0.210 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214855570 824536615 /nfs/dbraw/zinc/53/66/15/824536615.db2.gz GUJSSKANZMRCEZ-QKCSRTOESA-N 2 0 296.415 -0.491 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214969372 824537177 /nfs/dbraw/zinc/53/71/77/824537177.db2.gz PIZBMMMQTKBVFU-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001215316663 824539455 /nfs/dbraw/zinc/53/94/55/824539455.db2.gz IEGVSXAUEWBFTE-AAVRWANBSA-N 2 0 299.415 -0.476 20 0 CBADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001215462951 824541423 /nfs/dbraw/zinc/54/14/23/824541423.db2.gz CWGWBJASFGADTE-IJLUTSLNSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC(N)=O ZINC001215421937 824541554 /nfs/dbraw/zinc/54/15/54/824541554.db2.gz RHULZGWTHBVPLR-GHMZBOCLSA-N 2 0 270.377 -0.750 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215460624 824542357 /nfs/dbraw/zinc/54/23/57/824542357.db2.gz BHTLOZPGLCBBRK-GHMZBOCLSA-N 2 0 270.377 -0.879 20 0 CBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001216001662 824544835 /nfs/dbraw/zinc/54/48/35/824544835.db2.gz HQIWXXSXWLHPEZ-FRRDWIJNSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216750148 824549504 /nfs/dbraw/zinc/54/95/04/824549504.db2.gz RCXFOZHOASJILZ-IJLUTSLNSA-N 2 0 282.388 -0.879 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216756012 824549552 /nfs/dbraw/zinc/54/95/52/824549552.db2.gz OIABJGXUZZQINF-HZSPNIEDSA-N 2 0 299.415 -0.474 20 0 CBADRP C(O[C@H]1C[NH2+]CCOC1)[C@@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217785405 824560921 /nfs/dbraw/zinc/56/09/21/824560921.db2.gz KWYUPARNDRHAJA-CYDGBPFRSA-N 2 0 256.346 -0.242 20 0 CBADRP C(O[C@@H]1C[NH2+]CCOC1)[C@@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217785410 824560927 /nfs/dbraw/zinc/56/09/27/824560927.db2.gz KWYUPARNDRHAJA-RVMXOQNASA-N 2 0 256.346 -0.242 20 0 CBADRP C(O[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217797452 824561837 /nfs/dbraw/zinc/56/18/37/824561837.db2.gz AGDMENBZIJFBER-YTFOTSKYSA-N 2 0 281.400 -0.184 20 0 CBADRP C(O[C@H]1CC[NH2+]C1)[C@H]1CC[C@]2(C[NH2+]CCOC2)O1 ZINC001217824474 824562420 /nfs/dbraw/zinc/56/24/20/824562420.db2.gz BYWAGSLPTPMURP-YNEHKIRRSA-N 2 0 256.346 -0.098 20 0 CBADRP Cn1cnc(NC(=O)[C@@H]([NH3+])CCC[NH3+])c2ncnc1-2 ZINC001218495260 824568550 /nfs/dbraw/zinc/56/85/50/824568550.db2.gz MDNVNEAGCXXBFJ-ZETCQYMHSA-N 2 0 263.305 -0.680 20 0 CBADRP Cn1ccc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001218498807 824571317 /nfs/dbraw/zinc/57/13/17/824571317.db2.gz YBDAHXCVLQKELJ-JTQLQIEISA-N 2 0 266.349 -0.891 20 0 CBADRP COc1nn(C)cc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218505295 824572993 /nfs/dbraw/zinc/57/29/93/824572993.db2.gz QFKJSJJKANSEBM-JTQLQIEISA-N 2 0 296.375 -0.882 20 0 CBADRP COc1nn(C)cc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218503482 824573747 /nfs/dbraw/zinc/57/37/47/824573747.db2.gz BIHCTASLYJTOFA-MRVPVSSYSA-N 2 0 265.317 -0.824 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC001218511755 824577022 /nfs/dbraw/zinc/57/70/22/824577022.db2.gz SPBHWOUGYHKHJP-SCSAIBSYSA-N 2 0 266.227 -0.172 20 0 CBADRP CCOC(=O)c1c(C)[nH]nc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218512012 824577309 /nfs/dbraw/zinc/57/73/09/824577309.db2.gz FVOVDMXBOPELGZ-MRVPVSSYSA-N 2 0 283.332 -0.100 20 0 CBADRP [NH3+][C@H](C(=O)Nc1ncnc2n[nH]nc21)C1CC[NH2+]CC1 ZINC001218515210 824578554 /nfs/dbraw/zinc/57/85/54/824578554.db2.gz COYXSLNMQPLYNT-ZETCQYMHSA-N 2 0 276.304 -0.987 20 0 CBADRP Cc1cc(O)cnc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218517909 824581213 /nfs/dbraw/zinc/58/12/13/824581213.db2.gz JNFPBJYCNIALCF-JTQLQIEISA-N 2 0 262.313 -0.157 20 0 CBADRP N[C@]1(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)CCC[NH2+]C1 ZINC001218531760 824586187 /nfs/dbraw/zinc/58/61/87/824586187.db2.gz AZOHDVAIKOCHQE-ISVAXAHUSA-N 2 0 295.412 -0.022 20 0 CBADRP COc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)ncn1 ZINC001218536838 824587125 /nfs/dbraw/zinc/58/71/25/824587125.db2.gz YPQMHKZWYMSKBT-NOZJJQNGSA-N 2 0 277.328 -0.377 20 0 CBADRP COc1cc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])ncn1 ZINC001218536467 824587281 /nfs/dbraw/zinc/58/72/81/824587281.db2.gz VDPQJSVDUZENSB-QMMMGPOBSA-N 2 0 253.306 -0.120 20 0 CBADRP Nc1cccnc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218539088 824587314 /nfs/dbraw/zinc/58/73/14/824587314.db2.gz XXXTZBMNTUDVGQ-QMMMGPOBSA-N 2 0 255.347 -0.379 20 0 CBADRP CCOC(=O)c1cc[nH]c1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218541261 824587388 /nfs/dbraw/zinc/58/73/88/824587388.db2.gz PVUJPSXTUQNYMG-JTQLQIEISA-N 2 0 292.339 -0.061 20 0 CBADRP N[C@@]1(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)CC[NH2+]C1 ZINC001218535753 824587723 /nfs/dbraw/zinc/58/77/23/824587723.db2.gz ZIEACLHZGVUSJI-MADCSZMMSA-N 2 0 281.385 -0.412 20 0 CBADRP CCOC(=O)c1n[nH]cc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218549293 824588540 /nfs/dbraw/zinc/58/85/40/824588540.db2.gz GRESYQUKGNBLKD-MRVPVSSYSA-N 2 0 293.327 -0.666 20 0 CBADRP O=C(Nc1cccnc1F)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218544189 824588750 /nfs/dbraw/zinc/58/87/50/824588750.db2.gz ISYBXOGEKSTJOP-MRVPVSSYSA-N 2 0 250.277 -0.032 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218550739 824589076 /nfs/dbraw/zinc/58/90/76/824589076.db2.gz LSIFPKNLPWFNDY-MELADBBJSA-N 2 0 299.415 -0.379 20 0 CBADRP Cc1noc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c1C(N)=O ZINC001218551615 824589850 /nfs/dbraw/zinc/58/98/50/824589850.db2.gz QVKBQKDCKPHKBP-AMIZOPFISA-N 2 0 293.327 -0.780 20 0 CBADRP CCOC(=O)c1n[nH]cc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218554204 824590542 /nfs/dbraw/zinc/59/05/42/824590542.db2.gz IETABEGOIOSNSA-SNVBAGLBSA-N 2 0 295.343 -0.148 20 0 CBADRP Cn1ncc2c1ncnc2NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218557443 824590550 /nfs/dbraw/zinc/59/05/50/824590550.db2.gz SFMMXXDLLPWONF-JTQLQIEISA-N 2 0 289.343 -0.371 20 0 CBADRP O=C(Nc1ncnc2[nH]ccc21)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218560405 824591049 /nfs/dbraw/zinc/59/10/49/824591049.db2.gz YCEVXOIZTGBVII-SECBINFHSA-N 2 0 272.312 -0.295 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ncnn2cccc12 ZINC001218564900 824592796 /nfs/dbraw/zinc/59/27/96/824592796.db2.gz LUSMULMLOQZRLN-JTQLQIEISA-N 2 0 276.344 -0.193 20 0 CBADRP NC(=O)c1n[nH]cc1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001218564511 824593734 /nfs/dbraw/zinc/59/37/34/824593734.db2.gz JLQAGRLCWWXYPR-ZETCQYMHSA-N 2 0 268.321 -0.707 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1[nH]nc2nccnc21 ZINC001218567684 824594141 /nfs/dbraw/zinc/59/41/41/824594141.db2.gz ILNCOHXKFYCAGR-LURJTMIESA-N 2 0 281.345 -0.738 20 0 CBADRP O=C(Nc1[nH]nc2nccnc21)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218569044 824594441 /nfs/dbraw/zinc/59/44/41/824594441.db2.gz REWLOJTYMBQAKY-ZETCQYMHSA-N 2 0 273.300 -0.948 20 0 CBADRP Cc1ncc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)cn1 ZINC001218573351 824595899 /nfs/dbraw/zinc/59/58/99/824595899.db2.gz KJYPMFBKISDGDD-ZWNOBZJWSA-N 2 0 261.329 -0.077 20 0 CBADRP COC(=O)c1cncc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)n1 ZINC001218579798 824599294 /nfs/dbraw/zinc/59/92/94/824599294.db2.gz LJBAXQIFJAWCQM-LLVKDONJSA-N 2 0 293.327 -0.471 20 0 CBADRP N=c1ccc(F)c(N)n1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218604827 824601559 /nfs/dbraw/zinc/60/15/59/824601559.db2.gz WLTUMBUOTTVHRW-JTQLQIEISA-N 2 0 267.308 -0.344 20 0 CBADRP N=c1ccc(F)c(N)n1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218604919 824601650 /nfs/dbraw/zinc/60/16/50/824601650.db2.gz YEARFQIGJKQOIG-AMIZOPFISA-N 2 0 279.319 -0.472 20 0 CBADRP N=c1c(N)cnc(Cl)n1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218622929 824606239 /nfs/dbraw/zinc/60/62/39/824606239.db2.gz YXSHITUEYHAXIE-RXMQYKEDSA-N 2 0 258.713 -0.695 20 0 CBADRP N=c1c(N)cnc(Cl)n1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218622942 824605889 /nfs/dbraw/zinc/60/58/89/824605889.db2.gz ZEHWDZVFZKCSHC-JMCQJSRRSA-N 2 0 296.762 -0.563 20 0 CBADRP N=c1c(N)cnc(Cl)n1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218622890 824606031 /nfs/dbraw/zinc/60/60/31/824606031.db2.gz YJFICIRIWHUFIA-QMMMGPOBSA-N 2 0 284.751 -0.435 20 0 CBADRP Nc1cnc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)cn1 ZINC001218623159 824606355 /nfs/dbraw/zinc/60/63/55/824606355.db2.gz AUJFKYJMOWMMTP-SNVBAGLBSA-N 2 0 250.306 -0.676 20 0 CBADRP COC(=O)c1scnc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218624533 824606953 /nfs/dbraw/zinc/60/69/53/824606953.db2.gz LDKGRGSXOKJBNX-ZCFIWIBFSA-N 2 0 272.330 -0.066 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(C)c1nccnc1N ZINC001218623469 824607127 /nfs/dbraw/zinc/60/71/27/824607127.db2.gz OCTQUBSNRZUDBZ-VIFPVBQESA-N 2 0 266.349 -0.261 20 0 CBADRP Nc1cnc(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cn1 ZINC001218624262 824607501 /nfs/dbraw/zinc/60/75/01/824607501.db2.gz YXHGKXHZTPHOTD-SECBINFHSA-N 2 0 276.344 -0.129 20 0 CBADRP Cc1ncc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)nc1C ZINC001218623721 824607572 /nfs/dbraw/zinc/60/75/72/824607572.db2.gz BBLMBJCDNBDQCB-SNVBAGLBSA-N 2 0 261.329 -0.159 20 0 CBADRP COc1nc(Cl)ncc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218634769 824610170 /nfs/dbraw/zinc/61/01/70/824610170.db2.gz NGJZVUFCMRJPGB-SSDOTTSWSA-N 2 0 297.746 -0.114 20 0 CBADRP COC(=O)c1cc(NC(=O)[C@@H]([NH3+])CCC[NH3+])cn1C ZINC001218632254 824610288 /nfs/dbraw/zinc/61/02/88/824610288.db2.gz QUZLZPFXXZXOHD-VIFPVBQESA-N 2 0 268.317 -0.184 20 0 CBADRP Cc1ncnc(C)c1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218637554 824611192 /nfs/dbraw/zinc/61/11/92/824611192.db2.gz LNBJYPWMFJEINZ-LBPRGKRZSA-N 2 0 292.387 -0.218 20 0 CBADRP CCOC(=O)c1cc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])n(C)n1 ZINC001218636825 824612124 /nfs/dbraw/zinc/61/21/24/824612124.db2.gz JLMKUAVSNJUULU-VIFPVBQESA-N 2 0 297.359 -0.008 20 0 CBADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@H]1CC[NH2+]C[C@@H]1F ZINC001218641546 824612244 /nfs/dbraw/zinc/61/22/44/824612244.db2.gz TUKIEUVZUFCESX-QWRGUYRKSA-N 2 0 267.308 -0.087 20 0 CBADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@H]1CC[NH2+]C[C@H]1F ZINC001218641548 824612669 /nfs/dbraw/zinc/61/26/69/824612669.db2.gz TUKIEUVZUFCESX-WDEREUQCSA-N 2 0 267.308 -0.087 20 0 CBADRP COC(=O)c1n[nH]c(C)c1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218640008 824613040 /nfs/dbraw/zinc/61/30/40/824613040.db2.gz KURCUDVCPCQXQZ-QMMMGPOBSA-N 2 0 293.327 -0.748 20 0 CBADRP O=C(Nc1noc2cnccc21)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218646417 824613705 /nfs/dbraw/zinc/61/37/05/824613705.db2.gz PSGUXNBTQZNDHT-VIFPVBQESA-N 2 0 273.296 -0.030 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1cc(=O)[n-]c(Cl)n1 ZINC001218648217 824614481 /nfs/dbraw/zinc/61/44/81/824614481.db2.gz SSAIDWMQOCDDRD-YFKPBYRVSA-N 2 0 259.697 -0.160 20 0 CBADRP Nc1ncc(Cl)nc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218651683 824615601 /nfs/dbraw/zinc/61/56/01/824615601.db2.gz CJANZXZAILWBTE-ZCFIWIBFSA-N 2 0 282.735 -0.540 20 0 CBADRP CC(=O)Nc1cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)ccn1 ZINC001218650811 824616210 /nfs/dbraw/zinc/61/62/10/824616210.db2.gz YNVPHFRNNTYHKF-LLVKDONJSA-N 2 0 289.339 -0.213 20 0 CBADRP CNc1ccc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cn1 ZINC001218654140 824616640 /nfs/dbraw/zinc/61/66/40/824616640.db2.gz FCMIQERMABGJEL-JTQLQIEISA-N 2 0 261.329 -0.129 20 0 CBADRP Nc1cc[nH]c(=O)c1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218679166 824621011 /nfs/dbraw/zinc/62/10/11/824621011.db2.gz OYMKIGQZNLJAOW-AMIZOPFISA-N 2 0 277.328 -0.493 20 0 CBADRP Nc1cc[nH]c(=O)c1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218679524 824621445 /nfs/dbraw/zinc/62/14/45/824621445.db2.gz URPGIDRPKHYOQE-SSDOTTSWSA-N 2 0 263.301 -0.883 20 0 CBADRP Nc1cc[nH]c(=O)c1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218678161 824621479 /nfs/dbraw/zinc/62/14/79/824621479.db2.gz FWUZZRRIILUDEN-VIFPVBQESA-N 2 0 265.317 -0.365 20 0 CBADRP Cn1nncc1NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001218699755 824623941 /nfs/dbraw/zinc/62/39/41/824623941.db2.gz FLUJDSSMXQWAFR-VIFPVBQESA-N 2 0 254.338 -0.187 20 0 CBADRP NC(=O)c1cnoc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218702797 824624674 /nfs/dbraw/zinc/62/46/74/824624674.db2.gz WSYGXGOJPJOXQQ-QMMMGPOBSA-N 2 0 267.289 -0.961 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)Nc1cncc(C[NH3+])c1 ZINC001218705590 824626380 /nfs/dbraw/zinc/62/63/80/824626380.db2.gz VMHHOCVZBBHJGM-ZANVPECISA-N 2 0 293.371 -0.032 20 0 CBADRP CCOC(=O)c1nc(NC(=O)[C@@H]([NH3+])CCC[NH3+])cn1C ZINC001218707968 824626444 /nfs/dbraw/zinc/62/64/44/824626444.db2.gz WGOIJJPIBVLABV-QMMMGPOBSA-N 2 0 283.332 -0.399 20 0 CBADRP O=C(CN1CC[NH2+]CC1)Nc1cc([C@@H]2CCC[NH2+]2)no1 ZINC001218710451 824627305 /nfs/dbraw/zinc/62/73/05/824627305.db2.gz FWHHALRZUQWTGQ-JTQLQIEISA-N 2 0 279.344 -0.057 20 0 CBADRP COC[C@@H](C)Oc1cc(NC(=O)[C@H]([NH3+])CCC[NH3+])[nH]n1 ZINC001218718007 824627593 /nfs/dbraw/zinc/62/75/93/824627593.db2.gz BKFIKMGTXHOTOF-RKDXNWHRSA-N 2 0 285.348 -0.172 20 0 CBADRP O=C(Nc1cc([C@@H]2CCC[NH2+]2)no1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001218713113 824627735 /nfs/dbraw/zinc/62/77/35/824627735.db2.gz QRHLHDVPGWIVKV-BFVZDQMLSA-N 2 0 291.355 -0.011 20 0 CBADRP COc1cnc(Cl)c(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001218720395 824628706 /nfs/dbraw/zinc/62/87/06/824628706.db2.gz IBYGSIHZCJQZFK-ZETCQYMHSA-N 2 0 297.746 -0.114 20 0 CBADRP CCN(C)c1ncc(NC(=O)[C@@H]([NH3+])CCC[NH3+])cn1 ZINC001218741469 824630748 /nfs/dbraw/zinc/63/07/48/824630748.db2.gz WBFNSTRUPNCSOG-JTQLQIEISA-N 2 0 266.349 -0.063 20 0 CBADRP CCN=c1ccc(N)cn1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218742379 824631716 /nfs/dbraw/zinc/63/17/16/824631716.db2.gz XLGGZOOHDVPZDJ-CYBMUJFWSA-N 2 0 277.372 -0.042 20 0 CBADRP O=C(Nc1cnc2nccn2c1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218784492 824637485 /nfs/dbraw/zinc/63/74/85/824637485.db2.gz LEXYLAQZCQTGAY-SNVBAGLBSA-N 2 0 272.312 -0.523 20 0 CBADRP O=C(Nc1ncccc1CCO)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218792020 824638904 /nfs/dbraw/zinc/63/89/04/824638904.db2.gz GXTHDCSCECRKGZ-NSHDSACASA-N 2 0 276.340 -0.636 20 0 CBADRP O=C(Nc1cnn2c1OCCC2)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218794671 824640680 /nfs/dbraw/zinc/64/06/80/824640680.db2.gz UAXDAMVHTAIYRO-VIFPVBQESA-N 2 0 277.328 -0.587 20 0 CBADRP Nc1ccc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c(CCO)c1 ZINC001218917962 824647381 /nfs/dbraw/zinc/64/73/81/824647381.db2.gz DZVGIGRNICDDGT-LBPRGKRZSA-N 2 0 290.367 -0.449 20 0 CBADRP CC(C)[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218965041 824649537 /nfs/dbraw/zinc/64/95/37/824649537.db2.gz DICZDFVOLBUCNQ-UONOGXRCSA-N 2 0 299.415 -0.115 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(CO)cc1 ZINC001219054263 824653473 /nfs/dbraw/zinc/65/34/73/824653473.db2.gz DVDZSXLXZNVODY-AWEZNQCLSA-N 2 0 292.383 -0.132 20 0 CBADRP N[C@@H](C[NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001219028186 824653796 /nfs/dbraw/zinc/65/37/96/824653796.db2.gz SQKRPFICUSZOKS-JTQLQIEISA-N 2 0 250.302 -0.607 20 0 CBADRP O=C(Nc1ccc(CO)cc1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219051232 824653800 /nfs/dbraw/zinc/65/38/00/824653800.db2.gz WEDXNPDZHFAOGA-GFCCVEGCSA-N 2 0 261.325 -0.074 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC001219030030 824654478 /nfs/dbraw/zinc/65/44/78/824654478.db2.gz ZUUWLXYYTBOJOZ-JQWIXIFHSA-N 2 0 276.340 -0.204 20 0 CBADRP O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@H]1C[NH2+]CCN1 ZINC001219119043 824664380 /nfs/dbraw/zinc/66/43/80/824664380.db2.gz UEMKMBHITMVRTE-CQSZACIVSA-N 2 0 289.383 -0.404 20 0 CBADRP O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219118829 824664575 /nfs/dbraw/zinc/66/45/75/824664575.db2.gz QNNIHJHPZYPDAA-KGLIPLIRSA-N 2 0 290.367 -0.385 20 0 CBADRP O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@@H]1C[NH2+]C[C@H]1O ZINC001219118832 824664985 /nfs/dbraw/zinc/66/49/85/824664985.db2.gz QNNIHJHPZYPDAA-ZIAGYGMSSA-N 2 0 290.367 -0.385 20 0 CBADRP N[C@@H](C[NH3+])C(=O)Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC001219233378 824679355 /nfs/dbraw/zinc/67/93/55/824679355.db2.gz NBQOJVNQXKTBSY-MFKMUULPSA-N 2 0 277.372 -0.161 20 0 CBADRP [NH3+]CCNC(=O)/C=C/C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219345299 824695513 /nfs/dbraw/zinc/69/55/13/824695513.db2.gz HQNSRQXRNRVDQJ-AATRIKPKSA-N 2 0 262.313 -0.285 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001219593753 824738959 /nfs/dbraw/zinc/73/89/59/824738959.db2.gz HIBHUZNSGMWALP-RKDXNWHRSA-N 2 0 263.363 -0.879 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219537299 824722802 /nfs/dbraw/zinc/72/28/02/824722802.db2.gz KVYALGNBGUKSLX-HOTUBEGUSA-N 2 0 276.340 -0.251 20 0 CBADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)[C@@H]1C[NH2+]C[C@H]1O ZINC001219536939 824724131 /nfs/dbraw/zinc/72/41/31/824724131.db2.gz GWRXZUXBIVWOCA-MRGUHSIWSA-N 2 0 289.335 -0.347 20 0 CBADRP O=C(Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2)[C@H]1[NH2+]CC[C@@H]1O ZINC001219540207 824724578 /nfs/dbraw/zinc/72/45/78/824724578.db2.gz FCHOCXPQZUKSCB-GTUGTTAGSA-N 2 0 289.335 -0.204 20 0 CBADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)[C@H]1[NH2+]CC[C@H]1O ZINC001219540206 824724898 /nfs/dbraw/zinc/72/48/98/824724898.db2.gz FCHOCXPQZUKSCB-FUPATZSFSA-N 2 0 289.335 -0.204 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219540376 824725551 /nfs/dbraw/zinc/72/55/51/824725551.db2.gz GDABLNALCRCVPM-AVWBDOJWSA-N 2 0 288.351 -0.380 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCC(F)(F)F ZINC001219554253 824727149 /nfs/dbraw/zinc/72/71/49/824727149.db2.gz YNOIUACZAMFUOZ-MRVPVSSYSA-N 2 0 268.283 -0.585 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001219555794 824728634 /nfs/dbraw/zinc/72/86/34/824728634.db2.gz SDHMWUSNHXYDDZ-DYZYQPBXSA-N 2 0 263.407 -0.460 20 0 CBADRP Cc1cccnc1CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219563700 824730069 /nfs/dbraw/zinc/73/00/69/824730069.db2.gz IMLRCLKYOQKCJX-LLVKDONJSA-N 2 0 260.341 -0.185 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCCN1CCCCC1=O ZINC001219569229 824732344 /nfs/dbraw/zinc/73/23/44/824732344.db2.gz HVXOQJLXBBZFOQ-NSHDSACASA-N 2 0 270.377 -0.429 20 0 CBADRP Cn1ccnc1CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001219565746 824732361 /nfs/dbraw/zinc/73/23/61/824732361.db2.gz NQEGFPOYHOJAML-LLVKDONJSA-N 2 0 251.334 -0.637 20 0 CBADRP O=C(NCCn1ccnc1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219564318 824733450 /nfs/dbraw/zinc/73/34/50/824733450.db2.gz XXSXIWFZAGKVGE-GFCCVEGCSA-N 2 0 277.372 -0.127 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219586880 824736471 /nfs/dbraw/zinc/73/64/71/824736471.db2.gz HUYHDUKPNJVCLL-ZPFDUUQYSA-N 2 0 284.404 -0.267 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cn2cccn2)C[NH2+]1 ZINC001219582630 824736554 /nfs/dbraw/zinc/73/65/54/824736554.db2.gz HIXLYVNHHONMAJ-DCAQKATOSA-N 2 0 251.334 -0.533 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)COCCOCC[NH3+])C[NH2+]1 ZINC001219585187 824736588 /nfs/dbraw/zinc/73/65/88/824736588.db2.gz YWSVFKKXKVAKNI-QWRGUYRKSA-N 2 0 259.350 -0.765 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@@H]3CCO[C@@H]32)C[NH2+]1 ZINC001219586895 824737229 /nfs/dbraw/zinc/73/72/29/824737229.db2.gz ILJJKCQHAMMPIZ-NWBUJAPZSA-N 2 0 267.373 -0.132 20 0 CBADRP C[NH2+][C@H]1CCCN(CC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001219587254 824737536 /nfs/dbraw/zinc/73/75/36/824737536.db2.gz XAOGBRVJDCYLTO-AVGNSLFASA-N 2 0 268.405 -0.073 20 0 CBADRP C[NH2+][C@@H]1CCCN(CC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001219587255 824737547 /nfs/dbraw/zinc/73/75/47/824737547.db2.gz XAOGBRVJDCYLTO-RWMBFGLXSA-N 2 0 268.405 -0.073 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CC[S@](C)=O)C[NH2+]1 ZINC001219586882 824737853 /nfs/dbraw/zinc/73/78/53/824737853.db2.gz HVRSRZZSQNOXRC-JFEPYHJCSA-N 2 0 261.391 -0.661 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219589155 824738038 /nfs/dbraw/zinc/73/80/38/824738038.db2.gz MMGHJXIRMGEGGC-DRZSPHRISA-N 2 0 284.404 -0.123 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219587017 824738219 /nfs/dbraw/zinc/73/82/19/824738219.db2.gz NNYWYMLYNGRSMO-BJDJZHNGSA-N 2 0 282.388 -0.419 20 0 CBADRP Cc1ccnc(CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)n1 ZINC001219600196 824740444 /nfs/dbraw/zinc/74/04/44/824740444.db2.gz KVQZDRKQMZWLFJ-LBPRGKRZSA-N 2 0 263.345 -0.272 20 0 CBADRP Cc1cc(CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)no1 ZINC001219604512 824850175 /nfs/dbraw/zinc/85/01/75/824850175.db2.gz QGMOENZOTIAFJI-ZWNOBZJWSA-N 2 0 264.329 -0.202 20 0 CBADRP O=C(NC[C@@H](O)c1ccco1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219604483 824850225 /nfs/dbraw/zinc/85/02/25/824850225.db2.gz PUJFDIFRXWUEQD-JTNHKYCSSA-N 2 0 279.340 -0.372 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219609642 824853786 /nfs/dbraw/zinc/85/37/86/824853786.db2.gz ATSTYJQDWGYELT-POYBYMJQSA-N 2 0 255.240 -0.893 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219613690 824853857 /nfs/dbraw/zinc/85/38/57/824853857.db2.gz OGEHIQQNFCTYPV-WCBMZHEXSA-N 2 0 281.278 -0.225 20 0 CBADRP N[C@@]1(C(=O)N[C@@]2(C(F)(F)F)CC[NH2+]C2)CC[NH2+]C1 ZINC001219611384 824854313 /nfs/dbraw/zinc/85/43/13/824854313.db2.gz YKZSNNNNNAFQIG-IUCAKERBSA-N 2 0 266.267 -0.912 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219613691 824854554 /nfs/dbraw/zinc/85/45/54/824854554.db2.gz OGEHIQQNFCTYPV-WPRPVWTQSA-N 2 0 281.278 -0.225 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1CCCC[NH2+]1 ZINC001219616383 824856077 /nfs/dbraw/zinc/85/60/77/824856077.db2.gz ZMVCEEFAWBSDFR-JBLDHEPKSA-N 2 0 259.325 -0.693 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)C1CC[NH2+]CC1 ZINC001219616783 824857074 /nfs/dbraw/zinc/85/70/74/824857074.db2.gz CXCDOEPSHHCCMA-CMPLNLGQSA-N 2 0 259.325 -0.835 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1[NH2+][C@H]2CC[C@@H]1C2 ZINC001219619169 824858059 /nfs/dbraw/zinc/85/80/59/824858059.db2.gz ASFABFJYQOUZKI-ATFQUMLSSA-N 2 0 271.336 -0.694 20 0 CBADRP [NH3+][C@@H](CC1CCC1)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219619817 824859302 /nfs/dbraw/zinc/85/93/02/824859302.db2.gz QJPQGOJDZIRWRD-GMXVVIOVSA-N 2 0 273.352 -0.317 20 0 CBADRP CC1(C)[C@H]2[C@@H]1C[NH2+][C@@H]2C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219619338 824859726 /nfs/dbraw/zinc/85/97/26/824859726.db2.gz DYROITFYFUAPJK-MMROJZCPSA-N 2 0 285.363 -0.591 20 0 CBADRP Nc1ccc(CCC(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)cn1 ZINC001219619991 824859769 /nfs/dbraw/zinc/85/97/69/824859769.db2.gz TTXJFLDJSMXROB-SMDDNHRTSA-N 2 0 296.346 -0.225 20 0 CBADRP [NH3+]CC1CC(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219621478 824861731 /nfs/dbraw/zinc/86/17/31/824861731.db2.gz ABMPRCHOSJAVNK-ILDFIYDHSA-N 2 0 259.325 -0.850 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219625860 824862884 /nfs/dbraw/zinc/86/28/84/824862884.db2.gz FGPPIPQUCYAIIY-GXTWGEPZSA-N 2 0 296.346 -0.060 20 0 CBADRP Nc1cc[nH+]cc1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219624364 824863888 /nfs/dbraw/zinc/86/38/88/824863888.db2.gz JJMVHDDPCXSNNR-CMPLNLGQSA-N 2 0 268.292 -0.714 20 0 CBADRP [NH3+]Cc1ccc(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)cn1 ZINC001219624741 824864380 /nfs/dbraw/zinc/86/43/80/824864380.db2.gz RVWBGUPUHLETOD-WCQYABFASA-N 2 0 282.319 -0.667 20 0 CBADRP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)NCC[NH3+] ZINC001219870661 824906051 /nfs/dbraw/zinc/90/60/51/824906051.db2.gz OWTSKUUIPCQLQC-VIFPVBQESA-N 2 0 259.350 -0.099 20 0 CBADRP CC(C)C[C@H](CO)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219630388 824866657 /nfs/dbraw/zinc/86/66/57/824866657.db2.gz BUGMTQAZVBGDCZ-CHWSQXEVSA-N 2 0 286.420 -0.740 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2C[NH2+]Cc3ccnn3C2)C1 ZINC001219639122 824867692 /nfs/dbraw/zinc/86/76/92/824867692.db2.gz VLJIXSNGHCDMRK-AVGNSLFASA-N 2 0 291.399 -0.036 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219635566 824867838 /nfs/dbraw/zinc/86/78/38/824867838.db2.gz MKVALRYPFVIHNJ-MPPDQPJWSA-N 3 0 270.352 -0.998 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219636223 824868535 /nfs/dbraw/zinc/86/85/35/824868535.db2.gz XKWJWVQWSYZQPM-XDQVBPFNSA-N 2 0 298.406 -0.124 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)C2=NO[C@]3(CC[NH2+]C3)C2)C1 ZINC001219641695 824869354 /nfs/dbraw/zinc/86/93/54/824869354.db2.gz KOCBTQRALCAWJF-MISXGVKJSA-N 2 0 280.372 -0.143 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])Cn2cccn2)C1 ZINC001219641726 824869960 /nfs/dbraw/zinc/86/99/60/824869960.db2.gz KWWYCPXVXPDUJJ-SRVKXCTJSA-N 2 0 265.361 -0.428 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC001219641780 824870078 /nfs/dbraw/zinc/87/00/78/824870078.db2.gz LGHRVMILFVMJNU-OPDFLTKYSA-N 2 0 267.373 -0.416 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])CCCNC(N)=O)C1 ZINC001219641926 824870593 /nfs/dbraw/zinc/87/05/93/824870593.db2.gz MZJJBTTYQHWYNH-AXFHLTTASA-N 2 0 285.392 -0.876 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001219642427 824870699 /nfs/dbraw/zinc/87/06/99/824870699.db2.gz SRJJDSUDSDBDKL-RXGFPQBGSA-N 2 0 267.373 -0.417 20 0 CBADRP CCOC(=O)C1(C(=O)NC[C@H]2C[NH2+]C[C@H](C)C2)C[NH2+]C1 ZINC001219645873 824871156 /nfs/dbraw/zinc/87/11/56/824871156.db2.gz NHPRRQMCIDERFZ-GHMZBOCLSA-N 2 0 283.372 -0.499 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)COCCOCC[NH3+])C1 ZINC001219644422 824871224 /nfs/dbraw/zinc/87/12/24/824871224.db2.gz AWITUULHEBDWCI-NEPJUHHUSA-N 2 0 273.377 -0.660 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC001219642787 824871400 /nfs/dbraw/zinc/87/14/00/824871400.db2.gz XTEAFEGDZMISEY-TUAOUCFPSA-N 2 0 267.373 -0.131 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)C2(O)CC[NH2+]CC2)C1 ZINC001219642740 824871740 /nfs/dbraw/zinc/87/17/40/824871740.db2.gz XFSZQIKCTGILIB-GHMZBOCLSA-N 2 0 255.362 -0.537 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)C2(O)CC[NH+](C)CC2)C1 ZINC001219646392 824871979 /nfs/dbraw/zinc/87/19/79/824871979.db2.gz SJSQOIRNASRBKY-NWDGAFQWSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC001219644777 824872106 /nfs/dbraw/zinc/87/21/06/824872106.db2.gz FXQMOKFKIHBENN-VXGBXAGGSA-N 2 0 254.378 -0.747 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001219646608 824873401 /nfs/dbraw/zinc/87/34/01/824873401.db2.gz VXQNARYQZWKPOL-TUAOUCFPSA-N 3 0 256.394 -0.196 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219649485 824873619 /nfs/dbraw/zinc/87/36/19/824873619.db2.gz JYBPKBCFYIPEKU-RVMXOQNASA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219649487 824873762 /nfs/dbraw/zinc/87/37/62/824873762.db2.gz JYBPKBCFYIPEKU-XQHKEYJVSA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001219651678 824875389 /nfs/dbraw/zinc/87/53/89/824875389.db2.gz XKONCHSHMXAEJK-VWYCJHECSA-N 3 0 274.434 -0.633 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC[C@H]1C[NH2+][C@H](C)C1 ZINC001219684203 824878444 /nfs/dbraw/zinc/87/84/44/824878444.db2.gz LBMMPOACXVNZPD-UTUOFQBUSA-N 2 0 284.404 -0.410 20 0 CBADRP Cc1cc(C)c(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c(=O)[nH]1 ZINC001219688934 824879835 /nfs/dbraw/zinc/87/98/35/824879835.db2.gz ADZANPMAEAAKCP-GFCCVEGCSA-N 2 0 290.367 -0.171 20 0 CBADRP [NH3+][C@@H](Cc1cccc(O)c1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219697734 824881300 /nfs/dbraw/zinc/88/13/00/824881300.db2.gz XJPNBHJUUSINHB-LBPRGKRZSA-N 2 0 279.340 -0.897 20 0 CBADRP C[C@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C1CC1 ZINC001219695817 824881594 /nfs/dbraw/zinc/88/15/94/824881594.db2.gz ZDJPGWPRLNBCMD-JOYOIKCWSA-N 2 0 254.378 -0.349 20 0 CBADRP O=C(NCCC1(O)C[NH2+]C1)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001219696257 824882134 /nfs/dbraw/zinc/88/21/34/824882134.db2.gz FASYOENUXDKVFN-IUODEOHRSA-N 2 0 297.399 -0.624 20 0 CBADRP CCOC(=O)CCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001219693044 824882207 /nfs/dbraw/zinc/88/22/07/824882207.db2.gz MMMSXZHHTSNEKI-LLVKDONJSA-N 2 0 257.334 -0.617 20 0 CBADRP O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@H]1[NH2+]CC[C@@H]1O ZINC001219705875 824882823 /nfs/dbraw/zinc/88/28/23/824882823.db2.gz RVWWVNGXJORVCM-KBPBESRZSA-N 2 0 275.352 -0.329 20 0 CBADRP O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219703401 824882880 /nfs/dbraw/zinc/88/28/80/824882880.db2.gz IRNUXFKQLSUSDU-ZIAGYGMSSA-N 2 0 275.352 -0.329 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219704006 824882893 /nfs/dbraw/zinc/88/28/93/824882893.db2.gz UFFQLWIFOYJEAR-AWEZNQCLSA-N 2 0 291.351 -0.161 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@H]1C[NH2+]C[C@@H](c2ccccc2)C1 ZINC001219714710 824884999 /nfs/dbraw/zinc/88/49/99/824884999.db2.gz VHVFHNVNTDSYHM-GBJTYRQASA-N 2 0 289.379 -0.171 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219736981 824887671 /nfs/dbraw/zinc/88/76/71/824887671.db2.gz LVRJJQQRYZFLEP-OLZOCXBDSA-N 3 0 298.431 -0.460 20 0 CBADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001219737307 824887777 /nfs/dbraw/zinc/88/77/77/824887777.db2.gz SOXGVLGPHJMKEO-AXFHLTTASA-N 2 0 271.336 -0.429 20 0 CBADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001219737308 824887911 /nfs/dbraw/zinc/88/79/11/824887911.db2.gz SOXGVLGPHJMKEO-DCAQKATOSA-N 2 0 271.336 -0.429 20 0 CBADRP C[C@@]1(C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)CC[NH2+]C1 ZINC001219738959 824887989 /nfs/dbraw/zinc/88/79/89/824887989.db2.gz CRACMUMKMQSFGA-ZYHUDNBSSA-N 2 0 253.346 -0.519 20 0 CBADRP O=C(C=C1CC[NH2+]CC1)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219739223 824888125 /nfs/dbraw/zinc/88/81/25/824888125.db2.gz JLABKXUXTUESKW-LBPRGKRZSA-N 2 0 265.357 -0.209 20 0 CBADRP C[C@@]1(C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)CC[NH2+]C1 ZINC001219738956 824888201 /nfs/dbraw/zinc/88/82/01/824888201.db2.gz CRACMUMKMQSFGA-CMPLNLGQSA-N 2 0 253.346 -0.519 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741479 824888229 /nfs/dbraw/zinc/88/82/29/824888229.db2.gz LTDGGEDUORTGKH-MNOVXSKESA-N 2 0 271.361 -0.887 20 0 CBADRP Nc1nc(=O)c(F)cn1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219741272 824888247 /nfs/dbraw/zinc/88/82/47/824888247.db2.gz FUPHLRMPNLQKMI-VIFPVBQESA-N 2 0 295.318 -0.278 20 0 CBADRP Nc1nc(=O)c(F)cn1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001219741221 824888804 /nfs/dbraw/zinc/88/88/04/824888804.db2.gz DHRJRWPKSJTRQA-ZETCQYMHSA-N 2 0 271.296 -0.306 20 0 CBADRP [NH3+][C@H]1CC[C@@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764181 824889595 /nfs/dbraw/zinc/88/95/95/824889595.db2.gz AFFLCTSWVABERJ-RHYQMDGZSA-N 2 0 252.362 -0.866 20 0 CBADRP [NH3+][C@@H](CC1CCC1)C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749631 824889739 /nfs/dbraw/zinc/88/97/39/824889739.db2.gz PDWVTEPXYGTKIM-NSHDSACASA-N 2 0 292.387 -0.095 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)NC[C@H]2CCC3(CC[NH2+]CC3)O2)C1 ZINC001219743962 824890603 /nfs/dbraw/zinc/89/06/03/824890603.db2.gz PZDAPTDMRPUBGE-TUAOUCFPSA-N 2 0 282.388 -0.907 20 0 CBADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H]1CC[NH2+]C[C@H]1F ZINC001219765930 824890933 /nfs/dbraw/zinc/89/09/33/824890933.db2.gz ILZGFAXKFADVKE-MROQNXINSA-N 2 0 284.379 -0.656 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219768605 824890960 /nfs/dbraw/zinc/89/09/60/824890960.db2.gz NVCMKERWOKOKTM-WCQYABFASA-N 3 0 274.384 -0.089 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NC[C@]1(F)CCC[NH2+]C1 ZINC001219769208 824891726 /nfs/dbraw/zinc/89/17/26/824891726.db2.gz UIWDTLXMTCETLM-LBPRGKRZSA-N 2 0 258.341 -0.901 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]C1)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764840 824891774 /nfs/dbraw/zinc/89/17/74/824891774.db2.gz MKNMRCIVSUZKCR-MCIONIFRSA-N 2 0 280.416 -0.214 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219769151 824891843 /nfs/dbraw/zinc/89/18/43/824891843.db2.gz SZSPKNZKMJVJAJ-XUPINFNUSA-N 2 0 279.381 -0.710 20 0 CBADRP O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219768714 824892416 /nfs/dbraw/zinc/89/24/16/824892416.db2.gz PLQUFNWIJWCNEO-ZWNOBZJWSA-N 3 0 270.352 -0.997 20 0 CBADRP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219768414 824892422 /nfs/dbraw/zinc/89/24/22/824892422.db2.gz MMHXHGFIGFPXNK-KGYLQXTDSA-N 2 0 270.352 -0.854 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219773306 824893156 /nfs/dbraw/zinc/89/31/56/824893156.db2.gz PZLRZRWQPZYRPL-LLVKDONJSA-N 3 0 254.378 -0.299 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219774742 824893443 /nfs/dbraw/zinc/89/34/43/824893443.db2.gz AWICNAXPMLMILP-QWRGUYRKSA-N 2 0 253.346 -0.642 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219779697 824894408 /nfs/dbraw/zinc/89/44/08/824894408.db2.gz LHMSLILYCRHJLE-GFCCVEGCSA-N 2 0 266.389 -0.462 20 0 CBADRP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802023 824894751 /nfs/dbraw/zinc/89/47/51/824894751.db2.gz DMLQGVBEMMXEQH-XQQFMLRXSA-N 2 0 299.415 -0.333 20 0 CBADRP CC(C)[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805991 824894785 /nfs/dbraw/zinc/89/47/85/824894785.db2.gz XXCXJBFDNSVUDB-AGIUHOORSA-N 2 0 269.389 -0.104 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219801424 824895277 /nfs/dbraw/zinc/89/52/77/824895277.db2.gz ZJFZHMKZXZYJNO-BDAKNGLRSA-N 2 0 277.315 -0.146 20 0 CBADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219800836 824895320 /nfs/dbraw/zinc/89/53/20/824895320.db2.gz OGZLBVATJNABMR-NNYUYHANSA-N 2 0 265.357 -0.663 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219801266 824895548 /nfs/dbraw/zinc/89/55/48/824895548.db2.gz WPRJGVAIFLNMKG-LBPRGKRZSA-N 2 0 296.415 -0.787 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800937 824895598 /nfs/dbraw/zinc/89/55/98/824895598.db2.gz PDUXSADUYVEPDP-JQWIXIFHSA-N 2 0 293.371 -0.836 20 0 CBADRP CCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805929 824896005 /nfs/dbraw/zinc/89/60/05/824896005.db2.gz WODLUIBFCFJSSW-AGIUHOORSA-N 2 0 269.389 -0.102 20 0 CBADRP CC(C)[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805992 824896033 /nfs/dbraw/zinc/89/60/33/824896033.db2.gz XXCXJBFDNSVUDB-FRRDWIJNSA-N 2 0 269.389 -0.104 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219801377 824896433 /nfs/dbraw/zinc/89/64/33/824896433.db2.gz YRLFIZRRFRFHIG-STQMWFEESA-N 3 0 298.431 -0.412 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219809970 824897327 /nfs/dbraw/zinc/89/73/27/824897327.db2.gz XRWRNSXZKRTBBJ-VIFPVBQESA-N 3 0 267.333 -0.997 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219810887 824897996 /nfs/dbraw/zinc/89/79/96/824897996.db2.gz FRUURLLRQKGWIO-UHFFFAOYSA-N 2 0 294.359 -0.410 20 0 CBADRP N[C@]1(C(=O)NCc2noc3c2C[NH2+]CC3)CCC[NH2+]C1 ZINC001219810897 824898119 /nfs/dbraw/zinc/89/81/19/824898119.db2.gz GJUJLCDGEOCWAR-CYBMUJFWSA-N 2 0 279.344 -0.983 20 0 CBADRP C[C@H]1CC[NH2+][C@@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC001219813635 824898458 /nfs/dbraw/zinc/89/84/58/824898458.db2.gz YAJAHYQZQOANTD-FMSGJZPZSA-N 2 0 267.373 -0.273 20 0 CBADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1CCCC[NH2+]1 ZINC001219833594 824899465 /nfs/dbraw/zinc/89/94/65/824899465.db2.gz FJFJTPMFDKIREH-KCQAQPDRSA-N 2 0 297.399 -0.360 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831395 824899509 /nfs/dbraw/zinc/89/95/09/824899509.db2.gz JHGCLSPOILFSGK-NDBYEHHHSA-N 3 0 284.404 -0.804 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831545 824899914 /nfs/dbraw/zinc/89/99/14/824899914.db2.gz OCFWZGFQHUBOKC-QWQWKMKNSA-N 2 0 267.373 -0.132 20 0 CBADRP C[C@H]1CC[NH2+][C@H](C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)C1 ZINC001219831765 824900210 /nfs/dbraw/zinc/90/02/10/824900210.db2.gz XJQUPUQJMFUEKV-QWQWKMKNSA-N 2 0 267.373 -0.132 20 0 CBADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001219831697 824900543 /nfs/dbraw/zinc/90/05/43/824900543.db2.gz UQCGUICDOKFBPH-JCIQBVFBSA-N 2 0 271.336 -0.573 20 0 CBADRP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219823271 824900566 /nfs/dbraw/zinc/90/05/66/824900566.db2.gz OJXIUMWDVHXBAN-JTNHKYCSSA-N 2 0 292.408 -0.040 20 0 CBADRP C[C@]1(C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CC[NH2+]C1 ZINC001219836662 824901619 /nfs/dbraw/zinc/90/16/19/824901619.db2.gz BOWUGRONMPLRQA-SNPRPXQTSA-N 2 0 297.399 -0.503 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219848584 824901911 /nfs/dbraw/zinc/90/19/11/824901911.db2.gz ZJGBDPAHRFPURR-LDMBFOFVSA-N 2 0 253.346 -0.251 20 0 CBADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001219850431 824902537 /nfs/dbraw/zinc/90/25/37/824902537.db2.gz SZBBMTWDBSQZOW-PJSNJIKXSA-N 2 0 285.363 -0.183 20 0 CBADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)C1CC2(C[NH2+]C2)C1 ZINC001219851999 824902800 /nfs/dbraw/zinc/90/28/00/824902800.db2.gz JRLCXAQTMVPHRH-WCFLWFBJSA-N 2 0 279.384 -0.273 20 0 CBADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001219854252 824902887 /nfs/dbraw/zinc/90/28/87/824902887.db2.gz GKFBNHHDVIDWAK-CBBWQLFWSA-N 2 0 287.363 -0.196 20 0 CBADRP CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001219856743 824902897 /nfs/dbraw/zinc/90/28/97/824902897.db2.gz ZFHZESUCNJCYCV-FVCCEPFGSA-N 2 0 296.415 -0.838 20 0 CBADRP [NH3+]CC1CCC(C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC001219856283 824903202 /nfs/dbraw/zinc/90/32/02/824903202.db2.gz FTVUBFIIGWKOEU-UDSBESMDSA-N 2 0 267.373 -0.146 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854736 824903373 /nfs/dbraw/zinc/90/33/73/824903373.db2.gz RZOQQIHJFVNKRU-HHHUOAJASA-N 2 0 253.346 -0.523 20 0 CBADRP [NH3+]Cc1cccc(C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001219856475 824903398 /nfs/dbraw/zinc/90/33/98/824903398.db2.gz OBJNKVLBRUFIEX-FRRDWIJNSA-N 2 0 261.325 -0.138 20 0 CBADRP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854594 824903432 /nfs/dbraw/zinc/90/34/32/824903432.db2.gz MHMDOLKSWQIPTA-RMPHRYRLSA-N 2 0 285.388 -0.380 20 0 CBADRP [NH3+]CCNC(=O)[C@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001219867439 824904231 /nfs/dbraw/zinc/90/42/31/824904231.db2.gz INJZJGCRFWWTRS-LBPRGKRZSA-N 2 0 266.345 -0.309 20 0 CBADRP [NH3+]CCNC(=O)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001219876568 824906116 /nfs/dbraw/zinc/90/61/16/824906116.db2.gz XOUWZQDRLDINAH-CYBMUJFWSA-N 2 0 263.341 -0.058 20 0 CBADRP [NH3+]CCNC(=O)c1ccc(C(=O)N2CCC([NH3+])CC2)cc1 ZINC001219876519 824906256 /nfs/dbraw/zinc/90/62/56/824906256.db2.gz UXTIVUWPSVAIOB-UHFFFAOYSA-N 2 0 290.367 -0.062 20 0 CBADRP COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)[C@@H](C)O ZINC001219879889 824907047 /nfs/dbraw/zinc/90/70/47/824907047.db2.gz OTBBFZQVISLBLJ-VWYCJHECSA-N 2 0 289.376 -0.916 20 0 CBADRP CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219882411 824907124 /nfs/dbraw/zinc/90/71/24/824907124.db2.gz FXSCHURMQYABQU-WCFLWFBJSA-N 2 0 286.420 -0.740 20 0 CBADRP [NH3+]CCNC(=O)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001219878244 824907755 /nfs/dbraw/zinc/90/77/55/824907755.db2.gz VHAVUANVXNMYCP-LLVKDONJSA-N 2 0 290.327 -0.921 20 0 CBADRP CCOC(=O)CC(=N)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219882667 824907773 /nfs/dbraw/zinc/90/77/73/824907773.db2.gz MCTZKGDVIULVLG-QMMMGPOBSA-N 2 0 258.322 -0.511 20 0 CBADRP CCOC(=O)CC(=N)NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001219883207 824909166 /nfs/dbraw/zinc/90/91/66/824909166.db2.gz RNAKBDISLAUUPN-LLVKDONJSA-N 2 0 270.333 -0.640 20 0 CBADRP CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001219891499 824910397 /nfs/dbraw/zinc/91/03/97/824910397.db2.gz VVCUOBRTKGLSHX-OBJOEFQTSA-N 2 0 282.388 -0.430 20 0 CBADRP CC(=O)N1C[C@H]2C[C@@]2(NC(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001219890666 824910916 /nfs/dbraw/zinc/91/09/16/824910916.db2.gz JMZVRHYNDRUZFK-NTZNESFSSA-N 2 0 268.361 -0.820 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@@H]1CCc2[nH]c(=O)ccc2C1 ZINC001219890122 824911115 /nfs/dbraw/zinc/91/11/15/824911115.db2.gz FJMFNCWPSDCNNX-MNOVXSKESA-N 2 0 278.356 -0.173 20 0 CBADRP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)NCC[NH2+]CCO ZINC001219918043 824914577 /nfs/dbraw/zinc/91/45/77/824914577.db2.gz CJWXTTQBHPCXCO-NXEZZACHSA-N 2 0 261.366 -0.785 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCC[NH2+]CCO ZINC001219919014 824915147 /nfs/dbraw/zinc/91/51/47/824915147.db2.gz VRBXCXYXDALBJG-LBPRGKRZSA-N 3 0 274.409 -0.820 20 0 CBADRP C[NH2+][C@@H](COCc1ccccc1)C(=O)NCC[NH2+]CCO ZINC001219918754 824915489 /nfs/dbraw/zinc/91/54/89/824915489.db2.gz QPTDEHLBAFDGEK-AWEZNQCLSA-N 2 0 295.383 -0.511 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@H](O)COc1ccccc1 ZINC001219918905 824915586 /nfs/dbraw/zinc/91/55/86/824915586.db2.gz TXCBBMNNBUUHFT-JSGCOSHPSA-N 2 0 295.383 -0.001 20 0 CBADRP O=C(NC[C@H]1Cc2ccccc2O1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219924925 824915970 /nfs/dbraw/zinc/91/59/70/824915970.db2.gz CAUJXAGEKNEKRT-CHWSQXEVSA-N 2 0 287.363 -0.085 20 0 CBADRP Cc1c[nH]c(CCNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)n1 ZINC001219952017 824920012 /nfs/dbraw/zinc/92/00/12/824920012.db2.gz LLVXWZTXWQRTGC-BXUZGUMPSA-N 2 0 277.372 -0.424 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC001219945815 824920613 /nfs/dbraw/zinc/92/06/13/824920613.db2.gz UHXIICBROXTTSR-ZJUUUORDSA-N 2 0 275.374 -0.870 20 0 CBADRP Cc1nonc1CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219948548 824920768 /nfs/dbraw/zinc/92/07/68/824920768.db2.gz YCMVWAVAXCZXLT-BXKDBHETSA-N 2 0 265.317 -0.807 20 0 CBADRP O=C(NCc1ccc2nonc2c1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219965425 824924185 /nfs/dbraw/zinc/92/41/85/824924185.db2.gz NIGFNRSQZFALNM-SNVBAGLBSA-N 2 0 287.323 -0.352 20 0 CBADRP O=C(NC[C@@H]1CCCCO1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219978931 824927660 /nfs/dbraw/zinc/92/76/60/824927660.db2.gz VNLHZDFBKJQBPQ-WDEREUQCSA-N 2 0 253.346 -0.519 20 0 CBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CCCCO1 ZINC001219978163 824927915 /nfs/dbraw/zinc/92/79/15/824927915.db2.gz FMTGUKWHYHROAU-MNOVXSKESA-N 2 0 252.318 -0.035 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@]2(N)CC[NH2+]C2)C1 ZINC001219980521 824929209 /nfs/dbraw/zinc/92/92/09/824929209.db2.gz JYCPCJISJNKTKN-YPMHNXCESA-N 2 0 254.378 -0.475 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001219980497 824929739 /nfs/dbraw/zinc/92/97/39/824929739.db2.gz JIFRXSCYTJWWFM-NEPJUHHUSA-N 3 0 288.461 -0.146 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@]2(N)CC[NH2+]C2)C1 ZINC001219980519 824929955 /nfs/dbraw/zinc/92/99/55/824929955.db2.gz JYCPCJISJNKTKN-DGCLKSJQSA-N 2 0 254.378 -0.475 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1ccncn1 ZINC001220005111 824932143 /nfs/dbraw/zinc/93/21/43/824932143.db2.gz QNINBXZWOHLSGR-VIFPVBQESA-N 2 0 255.347 -0.888 20 0 CBADRP CN1C[C@@H](NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCC1=O ZINC001220006850 824932387 /nfs/dbraw/zinc/93/23/87/824932387.db2.gz DMOVGHHAZUNOOI-JQWIXIFHSA-N 2 0 268.361 -0.950 20 0 CBADRP O=C(NCc1cncnc1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220007688 824933674 /nfs/dbraw/zinc/93/36/74/824933674.db2.gz UAKYIPRABMSKLP-LBPRGKRZSA-N 2 0 275.356 -0.033 20 0 CBADRP O=C(NC1(CO)CCOCC1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220018585 824934991 /nfs/dbraw/zinc/93/49/91/824934991.db2.gz JRDRQTCVIFOLOK-GFCCVEGCSA-N 2 0 297.399 -0.482 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)n1cnc(C[NH3+])cc1=N ZINC001220020321 824936273 /nfs/dbraw/zinc/93/62/73/824936273.db2.gz DYVSCSNMZLIEQM-LBPRGKRZSA-N 3 0 294.403 -0.043 20 0 CBADRP N=c1cc(C[NH3+])ncn1C(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001220020766 824936891 /nfs/dbraw/zinc/93/68/91/824936891.db2.gz VBNSVKYKWPFZOC-DTWKUNHWSA-N 2 0 253.281 -0.591 20 0 CBADRP N=c1sc2c(n1C(=O)[C@@H]1C[C@H](O)C[NH2+]1)CC[C@H]([NH3+])C2 ZINC001220022791 824937065 /nfs/dbraw/zinc/93/70/65/824937065.db2.gz LXTZKYHUWFTIGR-FXQIFTODSA-N 2 0 282.369 -0.792 20 0 CBADRP N=c1sc2c(n1C(=O)[C@@H]1C[C@@H]([NH3+])CN1)CC[C@H]([NH3+])C2 ZINC001220025428 824937800 /nfs/dbraw/zinc/93/78/00/824937800.db2.gz POOVCMOWDQYBLL-RNJXMRFFSA-N 2 0 281.385 -0.826 20 0 CBADRP CC(C)[C@@](C)(NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(N)=O ZINC001220023472 824938017 /nfs/dbraw/zinc/93/80/17/824938017.db2.gz ZPRVEELSZDCVHP-SMDDNHRTSA-N 2 0 296.415 -0.123 20 0 CBADRP O=C(NCc1ccc2n[nH]cc2c1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220024999 824938025 /nfs/dbraw/zinc/93/80/25/824938025.db2.gz GIQVCBRSOWOUDD-LBPRGKRZSA-N 2 0 285.351 -0.012 20 0 CBADRP COc1ncnc(OC)c1CNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220045077 824942632 /nfs/dbraw/zinc/94/26/32/824942632.db2.gz LDACTTHITLOHTG-VIFPVBQESA-N 2 0 283.332 -0.824 20 0 CBADRP N=c1cc(C[NH3+])ccn1C(=O)CNC1CC[NH2+]CC1 ZINC001220045294 824943625 /nfs/dbraw/zinc/94/36/25/824943625.db2.gz UKFDQUUBZUGHMA-UHFFFAOYSA-N 2 0 263.345 -0.592 20 0 CBADRP N=c1cc(C[NH3+])ccn1C(=O)C[C@@H]1COCC[NH2+]1 ZINC001220045338 824944000 /nfs/dbraw/zinc/94/40/00/824944000.db2.gz WHFSOAUKSLQUQB-SNVBAGLBSA-N 2 0 250.302 -0.555 20 0 CBADRP C[NH2+]CCNC(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001220054605 824945038 /nfs/dbraw/zinc/94/50/38/824945038.db2.gz JUFJBLSVDWFQHP-LBPRGKRZSA-N 2 0 278.356 -0.992 20 0 CBADRP C[NH2+]CCNC(=O)[C@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001220054561 824945429 /nfs/dbraw/zinc/94/54/29/824945429.db2.gz IJCLSCMVEDGPKR-LLVKDONJSA-N 2 0 271.361 -0.417 20 0 CBADRP C[NH2+]CCNC(=O)C[C@H]1C[NH2+]Cc2cccn2C1 ZINC001220051318 824945623 /nfs/dbraw/zinc/94/56/23/824945623.db2.gz UVSRSHMWAJSWAD-NSHDSACASA-N 2 0 250.346 -0.067 20 0 CBADRP C[NH2+]CCNC(=O)C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220053183 824945689 /nfs/dbraw/zinc/94/56/89/824945689.db2.gz XWKVFBUZYSFWQP-WCQYABFASA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCc1cc[nH]n1 ZINC001220061913 824946793 /nfs/dbraw/zinc/94/67/93/824946793.db2.gz GTVCLTHMLVCQQL-NSHDSACASA-N 2 0 253.350 -0.215 20 0 CBADRP C[NH2+]CCNC(=O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O ZINC001220060121 824947526 /nfs/dbraw/zinc/94/75/26/824947526.db2.gz JNXGKRGNFAJPOW-QWHCGFSZSA-N 2 0 288.351 -0.565 20 0 CBADRP COCC1(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCC1 ZINC001220064154 824948402 /nfs/dbraw/zinc/94/84/02/824948402.db2.gz SVRRXDWQIAEAHK-BXUZGUMPSA-N 2 0 267.373 -0.129 20 0 CBADRP COCC1(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCC1 ZINC001220064291 824949498 /nfs/dbraw/zinc/94/94/98/824949498.db2.gz YZZHRMSFGCJRSC-JTQLQIEISA-N 2 0 253.346 -0.519 20 0 CBADRP C[NH2+]CCCCNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001220077320 824950519 /nfs/dbraw/zinc/95/05/19/824950519.db2.gz FPDTYCZRJTWUDH-RYUDHWBXSA-N 2 0 286.420 -0.020 20 0 CBADRP Cc1nc(N)ccc1CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220071468 824951081 /nfs/dbraw/zinc/95/10/81/824951081.db2.gz DZTWOIVYNNBLHL-JTQLQIEISA-N 2 0 283.401 -0.392 20 0 CBADRP CCCOCCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220101388 824954536 /nfs/dbraw/zinc/95/45/36/824954536.db2.gz LQAZOLMNSPAXLY-GFCCVEGCSA-N 2 0 272.393 -0.720 20 0 CBADRP NCc1ncc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])s1 ZINC001220103600 824954885 /nfs/dbraw/zinc/95/48/85/824954885.db2.gz YJTMFIPRRUIGHK-UHFFFAOYSA-N 2 0 270.362 -0.324 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220101641 824955210 /nfs/dbraw/zinc/95/52/10/824955210.db2.gz WHRXTSFPRFGOCA-VHSXEESVSA-N 3 0 255.366 -0.165 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC(=N)SCC[NH3+] ZINC001220106337 824956728 /nfs/dbraw/zinc/95/67/28/824956728.db2.gz JXZKJNJVVUJSQK-QMMMGPOBSA-N 2 0 289.405 -0.781 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC(=N)SCC[NH3+] ZINC001220106214 824956958 /nfs/dbraw/zinc/95/69/58/824956958.db2.gz FRRABIAFGMGXKD-VIFPVBQESA-N 2 0 289.405 -0.637 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@H](O)c1ccc(O)cc1 ZINC001220113005 824957948 /nfs/dbraw/zinc/95/79/48/824957948.db2.gz HTECABZSKLZLLE-RYUDHWBXSA-N 2 0 267.329 -0.392 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CCC[NH3+])[C@H](C)OC1 ZINC001220136841 824963079 /nfs/dbraw/zinc/96/30/79/824963079.db2.gz IUFAITQHPHJRRS-WPRPVWTQSA-N 2 0 285.344 -0.595 20 0 CBADRP CO[C@@H]1COCC[C@H]1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220140787 824965313 /nfs/dbraw/zinc/96/53/13/824965313.db2.gz AXKQTIZENZTIFX-FRRDWIJNSA-N 2 0 297.399 -0.219 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C1 ZINC001220149909 824968776 /nfs/dbraw/zinc/96/87/76/824968776.db2.gz HONLSQSBBDJOFC-YIYPIFLZSA-N 2 0 280.416 -0.086 20 0 CBADRP [NH3+][C@@H](C(=O)NCc1cc[nH]c(=O)c1)C1CC[NH2+]CC1 ZINC001220148312 824969043 /nfs/dbraw/zinc/96/90/43/824969043.db2.gz VUHNBTWDVGLBKH-GFCCVEGCSA-N 2 0 264.329 -0.270 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220149799 824969393 /nfs/dbraw/zinc/96/93/93/824969393.db2.gz CTYKLFXIHPPDLC-AXFHLTTASA-N 2 0 270.377 -0.671 20 0 CBADRP [NH3+]CC1(NC(=O)[C@@H]([NH3+])Cc2ccsc2)COC1 ZINC001220154145 824970489 /nfs/dbraw/zinc/97/04/89/824970489.db2.gz MGDNTJHFAVJPII-VIFPVBQESA-N 2 0 255.343 -0.538 20 0 CBADRP N=C(NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)c1nccs1 ZINC001220154329 824971030 /nfs/dbraw/zinc/97/10/30/824971030.db2.gz QKNHSIPQHKYFGI-SECBINFHSA-N 2 0 296.400 -0.665 20 0 CBADRP C[NH2+][C@H](C(=O)NC1(C[NH3+])COC1)[C@@H](C)OC(C)(C)C ZINC001220153836 824971305 /nfs/dbraw/zinc/97/13/05/824971305.db2.gz AETVWTIDNNKISV-ZJUUUORDSA-N 2 0 273.377 -0.378 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC001220158667 824972105 /nfs/dbraw/zinc/97/21/05/824972105.db2.gz DAOJWWPJEPHHEQ-RYUDHWBXSA-N 2 0 284.404 -0.314 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001220157064 824973307 /nfs/dbraw/zinc/97/33/07/824973307.db2.gz WDBYCDDSQLRLDB-GMXVVIOVSA-N 2 0 252.362 -0.852 20 0 CBADRP O=C(N[C@H]1C[C@H](O)C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220157151 824973545 /nfs/dbraw/zinc/97/35/45/824973545.db2.gz YPBJWTRIDDIFIY-DCAQKATOSA-N 2 0 253.346 -0.500 20 0 CBADRP O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220161251 824974179 /nfs/dbraw/zinc/97/41/79/824974179.db2.gz AXNYQMBTFLMWBC-VNHYZAJKSA-N 3 0 292.427 -0.166 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220160005 824974223 /nfs/dbraw/zinc/97/42/23/824974223.db2.gz UVPHJFFAWPKXKN-DMDPSCGWSA-N 2 0 255.362 -0.265 20 0 CBADRP CC(C)N1CC(NC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001220159688 824974261 /nfs/dbraw/zinc/97/42/61/824974261.db2.gz QWCPTCKCQSTGKG-JTQLQIEISA-N 2 0 260.407 -0.786 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)N[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001220161577 824974411 /nfs/dbraw/zinc/97/44/11/824974411.db2.gz DHKMWSDXOKYIHI-KZVDOYCCSA-N 2 0 266.389 -0.286 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)N[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001220161583 824975244 /nfs/dbraw/zinc/97/52/44/824975244.db2.gz DHKMWSDXOKYIHI-OPDFLTKYSA-N 2 0 266.389 -0.286 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220163642 824975392 /nfs/dbraw/zinc/97/53/92/824975392.db2.gz SKJCOAOHZFSJSD-UHXUPSOCSA-N 2 0 266.389 -0.428 20 0 CBADRP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1[NH2+]CC[C@H]1O ZINC001220167619 824975865 /nfs/dbraw/zinc/97/58/65/824975865.db2.gz QWJZMHKINDDPNP-NMKXLXIOSA-N 2 0 267.373 -0.252 20 0 CBADRP CCC1(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)COC1 ZINC001220170481 824975949 /nfs/dbraw/zinc/97/59/49/824975949.db2.gz LKMCOMITWDBOAH-LBPRGKRZSA-N 2 0 284.404 -0.720 20 0 CBADRP CCC1(CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)COC1 ZINC001220170816 824976150 /nfs/dbraw/zinc/97/61/50/824976150.db2.gz VNTDJAVKDYLWOH-BXUZGUMPSA-N 2 0 267.373 -0.272 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC1(CCO)COC1 ZINC001220172750 824978183 /nfs/dbraw/zinc/97/81/83/824978183.db2.gz ASUARUBVLJOUSM-NSHDSACASA-N 2 0 273.377 -0.687 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1ccn(C)c(=O)c1 ZINC001220180002 824979986 /nfs/dbraw/zinc/97/99/86/824979986.db2.gz YGLYXIDFBJFPQS-LBPRGKRZSA-N 2 0 280.372 -0.282 20 0 CBADRP N=C(NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)c1ncc[nH]1 ZINC001220181553 824981676 /nfs/dbraw/zinc/98/16/76/824981676.db2.gz TVNPSRFZVPUUOP-QMMMGPOBSA-N 2 0 250.306 -0.822 20 0 CBADRP N=C(NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ncc[nH]1 ZINC001220181464 824981782 /nfs/dbraw/zinc/98/17/82/824981782.db2.gz PNZKTWZXASWBPF-VIFPVBQESA-N 2 0 276.344 -0.275 20 0 CBADRP O=C(NC[C@H]1CCNCC1(F)F)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220185380 824983439 /nfs/dbraw/zinc/98/34/39/824983439.db2.gz GVBYALGYFOAUKR-ZJUUUORDSA-N 2 0 288.342 -0.844 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@H]2[NH2+]CC[C@H]2O)CC1 ZINC001220200415 824984920 /nfs/dbraw/zinc/98/49/20/824984920.db2.gz JTPQDEORZNYSOM-OLZOCXBDSA-N 2 0 285.388 -0.674 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@H]2[NH2+]CC[C@@H]2O)CC1 ZINC001220200416 824986079 /nfs/dbraw/zinc/98/60/79/824986079.db2.gz JTPQDEORZNYSOM-STQMWFEESA-N 2 0 285.388 -0.674 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001220200651 824986177 /nfs/dbraw/zinc/98/61/77/824986177.db2.gz PZVCCLYNPPOHSF-STQMWFEESA-N 2 0 285.388 -0.816 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC001220200648 824986348 /nfs/dbraw/zinc/98/63/48/824986348.db2.gz PZVCCLYNPPOHSF-CHWSQXEVSA-N 2 0 285.388 -0.816 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@H]1CNC(=O)C1 ZINC001220203171 824986682 /nfs/dbraw/zinc/98/66/82/824986682.db2.gz YGWOZZRKGOLJQV-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP CC(C)(C)[C@H](CO)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220217134 824987714 /nfs/dbraw/zinc/98/77/14/824987714.db2.gz MLOOCWDRFSPOGW-ZJUUUORDSA-N 2 0 255.362 -0.681 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220221021 824989557 /nfs/dbraw/zinc/98/95/57/824989557.db2.gz OAHYIIWSXBPNCG-OSFYFWSMSA-N 2 0 280.416 -0.073 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220251700 824994342 /nfs/dbraw/zinc/99/43/42/824994342.db2.gz CAQFHDLCHPEVHC-ZDEQEGDKSA-N 2 0 266.389 -0.463 20 0 CBADRP CN1C[C@@H](CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1=O ZINC001220245850 824994374 /nfs/dbraw/zinc/99/43/74/824994374.db2.gz WKWYVHKWKLYPJI-NEPJUHHUSA-N 2 0 294.399 -0.545 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001220252388 824996082 /nfs/dbraw/zinc/99/60/82/824996082.db2.gz YXJVSHBLVXBNLU-LDLUMPKVSA-N 2 0 275.418 -0.317 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001220252006 824996275 /nfs/dbraw/zinc/99/62/75/824996275.db2.gz LLCCBTGACVVGKV-DGCLKSJQSA-N 2 0 254.378 -0.332 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220252264 824996913 /nfs/dbraw/zinc/99/69/13/824996913.db2.gz UDIBIIWVQKRIQO-UMVBOHGHSA-N 3 0 280.416 -0.214 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220251806 824996933 /nfs/dbraw/zinc/99/69/33/824996933.db2.gz FYWKBWFIQXJVBE-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP [NH3+]CCN(C(=O)[C@H]([NH3+])Cc1cnc[nH]1)c1cccnc1 ZINC001220261093 824997497 /nfs/dbraw/zinc/99/74/97/824997497.db2.gz QLWUZANTIVOTQN-GFCCVEGCSA-N 2 0 274.328 -0.334 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N(CC[NH3+])c1cccnc1 ZINC001220261072 824998095 /nfs/dbraw/zinc/99/80/95/824998095.db2.gz PONPHPLUODZLEJ-ZDUSSCGKSA-N 2 0 288.355 -0.323 20 0 CBADRP COCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220268638 824999216 /nfs/dbraw/zinc/99/92/16/824999216.db2.gz DYBUUCIXCNUPCD-KGLIPLIRSA-N 2 0 299.415 -0.474 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N(CC[NH3+])c1cccnc1 ZINC001220263696 824999330 /nfs/dbraw/zinc/99/93/30/824999330.db2.gz UGLIWXAPZOJJNY-JEOXALJRSA-N 2 0 284.385 -0.531 20 0 CBADRP CCOCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269113 824999863 /nfs/dbraw/zinc/99/98/63/824999863.db2.gz QCXGTKHHSTVUBU-KGLIPLIRSA-N 2 0 299.415 -0.474 20 0 CBADRP [NH3+]CCN(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1cccnc1 ZINC001220261281 825000180 /nfs/dbraw/zinc/00/01/80/825000180.db2.gz WWHXTLRNSQMDKM-LBPRGKRZSA-N 3 0 275.356 -0.818 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H](CO)C(F)(F)F ZINC001220447187 825041275 /nfs/dbraw/zinc/04/12/75/825041275.db2.gz DAUODPUBUXWZCV-BQBZGAKWSA-N 2 0 257.256 -0.518 20 0 CBADRP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276490 825002608 /nfs/dbraw/zinc/00/26/08/825002608.db2.gz CIMCZZHZHMJBBI-UTUOFQBUSA-N 2 0 273.377 -0.866 20 0 CBADRP COCCn1cncc1CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220275419 825003184 /nfs/dbraw/zinc/00/31/84/825003184.db2.gz YGYBSAFPHYXFHM-ZDUSSCGKSA-N 2 0 295.387 -0.527 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC001220282191 825005842 /nfs/dbraw/zinc/00/58/42/825005842.db2.gz IENXVBXBDBAEDS-RYUDHWBXSA-N 3 0 256.394 -0.040 20 0 CBADRP C[N@@H+]1CCCN(CCNC(=O)[C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001220306812 825010856 /nfs/dbraw/zinc/01/08/56/825010856.db2.gz OXWHHHNOERDTFC-QWHCGFSZSA-N 2 0 286.395 -0.312 20 0 CBADRP C[N@@H+]1CCCN(CCNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001220307158 825010904 /nfs/dbraw/zinc/01/09/04/825010904.db2.gz SYZMGTBXOFHFQQ-AWEZNQCLSA-N 3 0 297.447 -0.933 20 0 CBADRP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001220313890 825011649 /nfs/dbraw/zinc/01/16/49/825011649.db2.gz YJAKSCLQKMGCMX-MNOVXSKESA-N 2 0 295.362 -0.060 20 0 CBADRP O=C(NCc1ncn2c1C[NH2+]CCC2)C1CC[NH2+]CC1 ZINC001220311402 825011715 /nfs/dbraw/zinc/01/17/15/825011715.db2.gz NLVXANVOYMUDJT-UHFFFAOYSA-N 2 0 277.372 -0.008 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220312134 825012106 /nfs/dbraw/zinc/01/21/06/825012106.db2.gz XXPBQHGAZGZYSA-NSHDSACASA-N 3 0 294.403 -0.551 20 0 CBADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1CC[NH2+]C[C@H]1F ZINC001220319905 825013263 /nfs/dbraw/zinc/01/32/63/825013263.db2.gz JZYIBSDKNKAEAV-CIQGVGRVSA-N 2 0 285.363 -0.039 20 0 CBADRP [NH3+][C@H]1CC[C@@H]1C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220317122 825013308 /nfs/dbraw/zinc/01/33/08/825013308.db2.gz WDHBAHHVSSNUSP-MPPDQPJWSA-N 2 0 253.346 -0.249 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315452 825013767 /nfs/dbraw/zinc/01/37/67/825013767.db2.gz CQLIGLYQUYVUMC-MBNYWOFBSA-N 3 0 284.404 -0.530 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220317508 825014091 /nfs/dbraw/zinc/01/40/91/825014091.db2.gz ZFQJOOZUJYULFX-IPYPFGDCSA-N 3 0 298.431 -0.269 20 0 CBADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1CC[NH2+]C[C@@H]1F ZINC001220319908 825014864 /nfs/dbraw/zinc/01/48/64/825014864.db2.gz JZYIBSDKNKAEAV-ZJQBRPOHSA-N 2 0 285.363 -0.039 20 0 CBADRP Cc1cc(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)n(N)c(=O)c1 ZINC001220323183 825015031 /nfs/dbraw/zinc/01/50/31/825015031.db2.gz CVARARDZRPXAEX-NSHDSACASA-N 2 0 295.387 -0.132 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220320873 825015113 /nfs/dbraw/zinc/01/51/13/825015113.db2.gz QNOJGLFQYWKKDA-BZPMIXESSA-N 2 0 283.372 -0.608 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCc1cn[nH]n1 ZINC001220329743 825016504 /nfs/dbraw/zinc/01/65/04/825016504.db2.gz YWLMIUGVWLSSNW-JTQLQIEISA-N 2 0 254.338 -0.520 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@]1(N)CC[NH2+]C1 ZINC001220335971 825016513 /nfs/dbraw/zinc/01/65/13/825016513.db2.gz ZUNXMUTURAEATN-JSGCOSHPSA-N 2 0 268.405 -0.086 20 0 CBADRP O=C(N[C@@H]1CC12CCOCC2)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220329400 825016791 /nfs/dbraw/zinc/01/67/91/825016791.db2.gz ONEIGRIMJGLPLK-GHMZBOCLSA-N 2 0 265.357 -0.519 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001220334973 825017282 /nfs/dbraw/zinc/01/72/82/825017282.db2.gz FRVWEMCCBBHFHW-AVGNSLFASA-N 2 0 268.405 -0.230 20 0 CBADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O)CC(C)(C)C ZINC001220369889 825021908 /nfs/dbraw/zinc/02/19/08/825021908.db2.gz WKQCBYXMFCNTND-NEPJUHHUSA-N 2 0 287.404 -0.882 20 0 CBADRP CN1CCOC[C@H]1CNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220382201 825025028 /nfs/dbraw/zinc/02/50/28/825025028.db2.gz SDSKZYIBUMGRLQ-NWDGAFQWSA-N 2 0 272.393 -0.720 20 0 CBADRP CN1CCOC[C@H]1CNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220382412 825025671 /nfs/dbraw/zinc/02/56/71/825025671.db2.gz WLIGPKBAEYQGOV-OLZOCXBDSA-N 2 0 286.420 -0.508 20 0 CBADRP [NH3+]Cc1ccc2c(n1)N(C(=O)[C@H]1[NH2+]CC[C@H]1O)CCC2 ZINC001220377457 825025814 /nfs/dbraw/zinc/02/58/14/825025814.db2.gz YSDCZYNRRIAQOS-NEPJUHHUSA-N 2 0 276.340 -0.458 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387761 825026929 /nfs/dbraw/zinc/02/69/29/825026929.db2.gz PWGXXKPXOOEKMR-MJBXVCDLSA-N 2 0 299.415 -0.332 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1cc[nH]c1 ZINC001220388533 825027078 /nfs/dbraw/zinc/02/70/78/825027078.db2.gz YNSBFCIKMVLTQI-GFCCVEGCSA-N 2 0 265.361 -0.619 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1ncccc1O ZINC001220390299 825027307 /nfs/dbraw/zinc/02/73/07/825027307.db2.gz XDZPYDAWEXUBIZ-LLVKDONJSA-N 2 0 293.371 -0.846 20 0 CBADRP N[C@@]1(C(=O)NCC23CC[NH+](CC2)CC3)CC[NH2+]C1 ZINC001220395100 825028110 /nfs/dbraw/zinc/02/81/10/825028110.db2.gz VMAXNEIEXWHOSX-ZDUSSCGKSA-N 2 0 252.362 -0.721 20 0 CBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394452 825028610 /nfs/dbraw/zinc/02/86/10/825028610.db2.gz GYKNKVUGUKWWPU-LLVKDONJSA-N 2 0 297.403 -0.636 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H]1c2ccccc2CNC1=O ZINC001220403216 825029669 /nfs/dbraw/zinc/02/96/69/825029669.db2.gz KACBCLPXLQRBQL-QWHCGFSZSA-N 2 0 290.367 -0.070 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@H]1c2ccccc2CNC1=O ZINC001220403220 825029909 /nfs/dbraw/zinc/02/99/09/825029909.db2.gz KACBCLPXLQRBQL-STQMWFEESA-N 2 0 290.367 -0.070 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@@H]1c2ccccc2CNC1=O ZINC001220403314 825031530 /nfs/dbraw/zinc/03/15/30/825031530.db2.gz NJZNTJQBJSMLLX-NWDGAFQWSA-N 2 0 276.340 -0.460 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001220406576 825033510 /nfs/dbraw/zinc/03/35/10/825033510.db2.gz TVQSJFZXKCIDTF-GMTAPVOTSA-N 2 0 281.356 -0.747 20 0 CBADRP C[Si](C)(C)CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220418297 825035456 /nfs/dbraw/zinc/03/54/56/825035456.db2.gz ITOVJJMQQFNSFY-NSHDSACASA-N 2 0 272.469 -0.270 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H](CO)C(F)(F)F ZINC001220447061 825039689 /nfs/dbraw/zinc/03/96/89/825039689.db2.gz BSPISFCLUMZCEH-JGVFFNPUSA-N 2 0 271.283 -0.257 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220432083 825039864 /nfs/dbraw/zinc/03/98/64/825039864.db2.gz XPONHMNQPAQZGJ-UWVGGRQHSA-N 2 0 259.350 -0.767 20 0 CBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)O1 ZINC001220481408 825046487 /nfs/dbraw/zinc/04/64/87/825046487.db2.gz GNRKHPIMXHCTQF-BYNQJWBRSA-N 2 0 285.388 -0.173 20 0 CBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C2CC[NH2+]CC2)O1 ZINC001220481479 825048104 /nfs/dbraw/zinc/04/81/04/825048104.db2.gz IYJZMDKKKNRINJ-YRGRVCCFSA-N 2 0 285.388 -0.173 20 0 CBADRP Cc1[nH][nH]c(=O)c1CCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220491597 825048391 /nfs/dbraw/zinc/04/83/91/825048391.db2.gz ACCWPNAHUJOGDU-VIFPVBQESA-N 2 0 287.389 -0.898 20 0 CBADRP Cc1[nH][nH]c(=O)c1CCNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220492803 825049564 /nfs/dbraw/zinc/04/95/64/825049564.db2.gz RZZQXOKNWZDQOE-VIFPVBQESA-N 2 0 255.322 -0.851 20 0 CBADRP [NH3+]C1(CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCCC1 ZINC001220494776 825050007 /nfs/dbraw/zinc/05/00/07/825050007.db2.gz RXJAUAZAIPQRJW-BXUZGUMPSA-N 3 0 266.389 -0.427 20 0 CBADRP [NH3+][C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1CCN2)c1ccccc1 ZINC001220500272 825051017 /nfs/dbraw/zinc/05/10/17/825051017.db2.gz HPJDQTKBRAADMC-NFAWXSAZSA-N 2 0 274.368 -0.246 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220499723 825051876 /nfs/dbraw/zinc/05/18/76/825051876.db2.gz BTPXYHKRACSNRN-CRTZDJKQSA-N 2 0 283.397 -0.102 20 0 CBADRP [NH3+][C@@H](CNC(=O)[C@H]1COC2(C[NH2+]C2)CN1)c1ccccc1 ZINC001220501597 825052494 /nfs/dbraw/zinc/05/24/94/825052494.db2.gz RDDFNBNLNOLIHU-QWHCGFSZSA-N 2 0 290.367 -0.867 20 0 CBADRP [NH3+]CCOCCOCCNC(=O)[C@@H]([NH3+])CC1CCC1 ZINC001220519397 825053207 /nfs/dbraw/zinc/05/32/07/825053207.db2.gz MUDIUMJRVSHFGL-LBPRGKRZSA-N 2 0 273.377 -0.388 20 0 CBADRP C[C@H]1CC[NH2+][C@H](C(=O)NCCOCCOCC[NH3+])C1 ZINC001220519459 825053384 /nfs/dbraw/zinc/05/33/84/825053384.db2.gz OTQZFHXYONKBGC-RYUDHWBXSA-N 2 0 273.377 -0.517 20 0 CBADRP CN(CC[NH3+])CCNC(=O)[C@@H]([NH3+])Cc1ccsc1 ZINC001220515350 825053702 /nfs/dbraw/zinc/05/37/02/825053702.db2.gz AAGXLQNBZHTQNC-NSHDSACASA-N 2 0 270.402 -0.375 20 0 CBADRP [NH3+]CCOCCOCCNC(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001220519300 825053980 /nfs/dbraw/zinc/05/39/80/825053980.db2.gz JLTQGXZAPNJUBM-GHMZBOCLSA-N 2 0 277.340 -0.958 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CCCC[NH3+])CC[NH2+]C1 ZINC001220522579 825055066 /nfs/dbraw/zinc/05/50/66/825055066.db2.gz AGNUZOHQSKWUFU-NSHDSACASA-N 3 0 298.387 -0.631 20 0 CBADRP COC(=O)C[C@@H](NC(=O)[C@H]([NH3+])CCC[NH3+])c1cccnc1 ZINC001220527205 825056882 /nfs/dbraw/zinc/05/68/82/825056882.db2.gz GHYIMMPFAWFWCK-VXGBXAGGSA-N 2 0 294.355 -0.132 20 0 CBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCOC)C[C@@H]1O ZINC001220575404 825068023 /nfs/dbraw/zinc/06/80/23/825068023.db2.gz VATYVFZENNDABI-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]([NH3+])Cc1ccsc1 ZINC001220583703 825070235 /nfs/dbraw/zinc/07/02/35/825070235.db2.gz VCZYAEZRICDBTJ-NSHDSACASA-N 2 0 299.396 -0.032 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001220585783 825071043 /nfs/dbraw/zinc/07/10/43/825071043.db2.gz YEPSIBUXHDXGTG-VHSXEESVSA-N 2 0 275.324 -0.716 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001220585707 825071342 /nfs/dbraw/zinc/07/13/42/825071342.db2.gz VPDWJDGESLUNRM-JTQLQIEISA-N 2 0 289.376 -0.521 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1ccc(-n2cccn2)nc1 ZINC001220673637 825082280 /nfs/dbraw/zinc/08/22/80/825082280.db2.gz GUXXDMBMYBYWKZ-GFCCVEGCSA-N 2 0 288.355 -0.050 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220678475 825083600 /nfs/dbraw/zinc/08/36/00/825083600.db2.gz ADMFLNRAEPCKFC-QCNOEVLYSA-N 2 0 269.345 -0.334 20 0 CBADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1C[NH2+]CCN1 ZINC001220681087 825084708 /nfs/dbraw/zinc/08/47/08/825084708.db2.gz VKSVZPYMYKAFQG-NOOOWODRSA-N 2 0 252.362 -0.663 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220680870 825084835 /nfs/dbraw/zinc/08/48/35/825084835.db2.gz ULXLKEDIZOIKJX-QCNOEVLYSA-N 3 0 286.445 -0.205 20 0 CBADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220678869 825085164 /nfs/dbraw/zinc/08/51/64/825085164.db2.gz OPNRWLBMLFKNHY-WHPHWUKISA-N 2 0 278.400 -0.273 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220680654 825085344 /nfs/dbraw/zinc/08/53/44/825085344.db2.gz LWLPEXGPFIEARG-ODAADZRKSA-N 2 0 287.429 -0.128 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)COC)C[C@@H]1O ZINC001220688481 825086478 /nfs/dbraw/zinc/08/64/78/825086478.db2.gz IDRQJXIOGRBCGJ-XQQFMLRXSA-N 2 0 287.404 -0.476 20 0 CBADRP Nc1ncc(CCNC(=O)C[NH2+]CCC[NH3+])s1 ZINC001220704874 825088466 /nfs/dbraw/zinc/08/84/66/825088466.db2.gz WGNWKJOQPDATCJ-UHFFFAOYSA-N 2 0 257.363 -0.678 20 0 CBADRP CC(C)(C)NC(=O)CCNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220709110 825088912 /nfs/dbraw/zinc/08/89/12/825088912.db2.gz RLXAIIVUGXBPNO-JTQLQIEISA-N 2 0 272.393 -0.136 20 0 CBADRP Nc1ncc(CCNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)s1 ZINC001220704908 825089912 /nfs/dbraw/zinc/08/99/12/825089912.db2.gz XWMBCJGCMKTOTA-SNVBAGLBSA-N 2 0 283.401 -0.289 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)Nc1cccnc1C[NH3+] ZINC001220714451 825091321 /nfs/dbraw/zinc/09/13/21/825091321.db2.gz MNGYABJHEPUVAT-NSHDSACASA-N 2 0 293.371 -0.032 20 0 CBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1O)C2 ZINC001220716828 825093976 /nfs/dbraw/zinc/09/39/76/825093976.db2.gz SGYWAQSNOWUJBT-WJTVCTBASA-N 2 0 267.373 -0.302 20 0 CBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1C[NH2+]CCN1)C2 ZINC001220716734 825094264 /nfs/dbraw/zinc/09/42/64/825094264.db2.gz PSZVEUWLFLXROU-RVMXOQNASA-N 2 0 266.389 -0.321 20 0 CBADRP COC(=O)CC1(NC(=O)[C@H]([NH3+])CCC[NH3+])CCOCC1 ZINC001220731285 825095010 /nfs/dbraw/zinc/09/50/10/825095010.db2.gz KCYSPTVQBULHSE-SNVBAGLBSA-N 2 0 287.360 -0.719 20 0 CBADRP O=C(NCCC1CCC(O)CC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220756690 825097535 /nfs/dbraw/zinc/09/75/35/825097535.db2.gz HTSAGZGFSCCSTO-BPCQOVAHSA-N 2 0 281.400 -0.147 20 0 CBADRP CC(=O)NCCCCCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220758938 825097977 /nfs/dbraw/zinc/09/79/77/825097977.db2.gz NCWPVJOFRVKZQH-ZDUSSCGKSA-N 2 0 284.404 -0.264 20 0 CBADRP CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220765866 825098651 /nfs/dbraw/zinc/09/86/51/825098651.db2.gz GYGFABAHPNNWDL-KXUCPTDWSA-N 2 0 253.346 -0.929 20 0 CBADRP CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220766482 825099536 /nfs/dbraw/zinc/09/95/36/825099536.db2.gz TUFPJFSGRJKCLW-GRYCIOLGSA-N 2 0 284.404 -0.988 20 0 CBADRP CC1(C)[C@H](O)C[C@H]1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220766969 825099633 /nfs/dbraw/zinc/09/96/33/825099633.db2.gz ZAMAKPCTPJDPCW-GMTAPVOTSA-N 2 0 255.362 -0.411 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@@]34C[NH2+]C[C@@H]3CCN4)(C1)CCC2 ZINC001220777516 825100639 /nfs/dbraw/zinc/10/06/39/825100639.db2.gz UCEMYCHZFSVUSV-SPWCGHHHSA-N 2 0 278.400 -0.142 20 0 CBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)(C1)CCC2 ZINC001220776980 825100653 /nfs/dbraw/zinc/10/06/53/825100653.db2.gz BCDRYVNZWVMGKB-BYCMXARLSA-N 3 0 278.400 -0.284 20 0 CBADRP N[C@@]1(C(=O)N[C@]23CC[C@]([NH3+])(C2)CCC3)CCC[NH2+]C1 ZINC001220779610 825101043 /nfs/dbraw/zinc/10/10/43/825101043.db2.gz XTISGUUIPOBFFI-MJBXVCDLSA-N 2 0 266.389 -0.012 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220787974 825102118 /nfs/dbraw/zinc/10/21/18/825102118.db2.gz AAYNOKZFEOVFFE-XUXIUFHCSA-N 2 0 290.367 -0.429 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1C[NH2+]C[C@H]1O ZINC001220789869 825102628 /nfs/dbraw/zinc/10/26/28/825102628.db2.gz MWGSIVAUESOFOO-REWJHTLYSA-N 2 0 290.367 -0.571 20 0 CBADRP O=C(NC[C@H]1CC[NH2+][C@H]1c1cccnc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220787971 825102642 /nfs/dbraw/zinc/10/26/42/825102642.db2.gz AAYNOKZFEOVFFE-RFGFWPKPSA-N 2 0 290.367 -0.429 20 0 CBADRP O=C(NC[C@H]1CC[NH2+][C@@H]1c1cccnc1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220790374 825102685 /nfs/dbraw/zinc/10/26/85/825102685.db2.gz QZBHGMJRTLCCGD-RQJABVFESA-N 2 0 290.367 -0.429 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220799409 825103475 /nfs/dbraw/zinc/10/34/75/825103475.db2.gz ANJACHUMMMSUHO-PRJMDXOYSA-N 2 0 269.267 -0.647 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)[C@H]1[NH2+]CC[C@H]1O ZINC001220794522 825103512 /nfs/dbraw/zinc/10/35/12/825103512.db2.gz QZBHGMJRTLCCGD-CRWXNKLISA-N 2 0 290.367 -0.429 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220804165 825103999 /nfs/dbraw/zinc/10/39/99/825103999.db2.gz NDMCOWRXQGUWEL-ZJUUUORDSA-N 2 0 294.321 -0.452 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220803084 825104163 /nfs/dbraw/zinc/10/41/63/825104163.db2.gz BOWFITPYZQREDD-CSMHCCOUSA-N 2 0 268.283 -0.681 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)C1 ZINC001220806048 825104176 /nfs/dbraw/zinc/10/41/76/825104176.db2.gz XEXRLXJMJRDRRX-XGEHTFHBSA-N 2 0 280.294 -0.668 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@H]1[NH2+]CC[C@@H]1O ZINC001220805770 825104199 /nfs/dbraw/zinc/10/41/99/825104199.db2.gz VDDMNVRSHWVRMU-KZVJFYERSA-N 2 0 281.278 -0.634 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@]2(C)CCC[NH2+]2)C[NH2+]C1 ZINC001220827197 825106814 /nfs/dbraw/zinc/10/68/14/825106814.db2.gz JITTVWJEYKSXDI-ZDUSSCGKSA-N 2 0 267.329 -0.335 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]2CCC3(C[NH2+]C3)O2)C[NH2+]C1 ZINC001220826964 825106973 /nfs/dbraw/zinc/10/69/73/825106973.db2.gz DJBPKUJTPJSFND-LLVKDONJSA-N 2 0 295.339 -0.956 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](C)O)C[C@@H]1O ZINC001220825665 825107038 /nfs/dbraw/zinc/10/70/38/825107038.db2.gz ABYKFHKXCCECDD-XQQFMLRXSA-N 2 0 287.404 -0.740 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2COC(C)(C)[NH2+]2)C[NH2+]C1 ZINC001220828103 825108406 /nfs/dbraw/zinc/10/84/06/825108406.db2.gz GWQXTWXCJXKMJF-JTQLQIEISA-N 2 0 283.328 -0.753 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C[C@@H]([NH3+])C2CC2)C[NH2+]C1 ZINC001220829031 825108634 /nfs/dbraw/zinc/10/86/34/825108634.db2.gz WCMSADLJWNQVHA-SNVBAGLBSA-N 2 0 267.329 -0.350 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])COC(C)(C)C)C[NH2+]C1 ZINC001220830416 825109879 /nfs/dbraw/zinc/10/98/79/825109879.db2.gz WIJMOKXODLEOEP-JTQLQIEISA-N 2 0 299.371 -0.335 20 0 CBADRP CCOC(=O)[C@H](C)CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220848679 825110416 /nfs/dbraw/zinc/11/04/16/825110416.db2.gz FVVVMHJJKHKPNA-JTNHKYCSSA-N 2 0 283.372 -0.499 20 0 CBADRP CCOC(=O)C1(NC(=O)C[C@H]2CCC[NH2+]C2)C[NH2+]C1 ZINC001220851036 825111675 /nfs/dbraw/zinc/11/16/75/825111675.db2.gz FBZDRJIAGZFTND-SNVBAGLBSA-N 2 0 269.345 -0.603 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@]2(C)CC(C)(C)C[NH2+]2)C[NH2+]C1 ZINC001220851494 825111932 /nfs/dbraw/zinc/11/19/32/825111932.db2.gz XZWNWEYOTFKRLD-ZDUSSCGKSA-N 2 0 283.372 -0.214 20 0 CBADRP CCOC(=O)C1(NC(=O)c2cccc(C[NH3+])c2)C[NH2+]C1 ZINC001220853229 825112279 /nfs/dbraw/zinc/11/22/79/825112279.db2.gz RFCHUZWATCNNAH-UHFFFAOYSA-N 2 0 277.324 -0.220 20 0 CBADRP CCOC(=O)C1(NC(=O)[C@@H]2CCC[C@H]2[NH3+])C[NH2+]C1 ZINC001220851482 825112680 /nfs/dbraw/zinc/11/26/80/825112680.db2.gz XOHQADVEEBQZQT-RKDXNWHRSA-N 2 0 255.318 -0.865 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220857755 825113491 /nfs/dbraw/zinc/11/34/91/825113491.db2.gz QNJUIWFUWZSNCP-KWBADKCTSA-N 2 0 254.378 -0.573 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220857805 825113511 /nfs/dbraw/zinc/11/35/11/825113511.db2.gz SJLRHCFRXVJEPW-UHIISALHSA-N 3 0 268.405 -0.325 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220859891 825113621 /nfs/dbraw/zinc/11/36/21/825113621.db2.gz RAAAFADWWBBXJF-QWRGUYRKSA-N 2 0 286.420 -0.034 20 0 CBADRP [NH3+]Cc1ccccc1CNC(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220855101 825113752 /nfs/dbraw/zinc/11/37/52/825113752.db2.gz LXVOXAPXAOWTOR-UKRRQHHQSA-N 2 0 274.368 -0.287 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220859665 825113873 /nfs/dbraw/zinc/11/38/73/825113873.db2.gz ITWOKPIVSZCYLY-GSRNSYJJSA-N 2 0 263.407 -0.428 20 0 CBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220859666 825114244 /nfs/dbraw/zinc/11/42/44/825114244.db2.gz ITWOKPIVSZCYLY-IRWWLHRVSA-N 2 0 263.407 -0.428 20 0 CBADRP N[C@@]1(C(=O)NCCc2c[nH]c3cc[nH+]cc23)CC[NH2+]C1 ZINC001220865862 825114745 /nfs/dbraw/zinc/11/47/45/825114745.db2.gz NAAOIQWDPKZINU-AWEZNQCLSA-N 2 0 273.340 -0.088 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)NCCc1c[nH]c2cc[nH+]cc12 ZINC001220866226 825114938 /nfs/dbraw/zinc/11/49/38/825114938.db2.gz UXUNNIAISPOXJF-JTQLQIEISA-N 2 0 262.313 -0.069 20 0 CBADRP COC(=O)[C@H]1C[C@H]1CNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220881537 825118725 /nfs/dbraw/zinc/11/87/25/825118725.db2.gz MGUJRMDZIDSQAA-SRVKXCTJSA-N 2 0 285.388 -0.029 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220881442 825118777 /nfs/dbraw/zinc/11/87/77/825118777.db2.gz KMSCZJOTOHIZEW-BBBLOLIVSA-N 2 0 257.334 -0.632 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220884461 825119755 /nfs/dbraw/zinc/11/97/55/825119755.db2.gz CPZPQBLHKFWUCA-VXGBXAGGSA-N 3 0 266.389 -0.271 20 0 CBADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2CCC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001220884372 825120320 /nfs/dbraw/zinc/12/03/20/825120320.db2.gz APJNGKCXBMGUMX-QWHCGFSZSA-N 3 0 296.415 -0.693 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001220890166 825121356 /nfs/dbraw/zinc/12/13/56/825121356.db2.gz UOMBEMSARBDBFP-UONOGXRCSA-N 2 0 280.416 -0.072 20 0 CBADRP CCc1ccc(CN(CC[NH3+])C(=O)CNC(=O)C[NH3+])cc1 ZINC001220902941 825122628 /nfs/dbraw/zinc/12/26/28/825122628.db2.gz GBAYILRFKJOZJG-UHFFFAOYSA-N 2 0 292.383 -0.389 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H]1CCC[C@H]1CO ZINC001221305717 825168567 /nfs/dbraw/zinc/16/85/67/825168567.db2.gz HFRCAMXBNUFMBM-SRVKXCTJSA-N 2 0 257.378 -0.019 20 0 CBADRP C[NH2+][C@@H](CC(C)C)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220900569 825122886 /nfs/dbraw/zinc/12/28/86/825122886.db2.gz MVLBNMUDUOPUGN-JTQLQIEISA-N 2 0 290.368 -0.715 20 0 CBADRP CC(C)(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H](N)CC[NH3+])CC1 ZINC001220909679 825124073 /nfs/dbraw/zinc/12/40/73/825124073.db2.gz YKAUIOGRZJUTBK-LBPRGKRZSA-N 2 0 298.431 -0.142 20 0 CBADRP CC(C)(C)C(=O)C[NH+]1CCC(NC(=O)C[C@H](O)C[NH3+])CC1 ZINC001220909023 825124230 /nfs/dbraw/zinc/12/42/30/825124230.db2.gz IEQSWXKLCKZMBW-LBPRGKRZSA-N 2 0 299.415 -0.108 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCCO[C@H]2CC[NH2+]C2)C1 ZINC001220936277 825125177 /nfs/dbraw/zinc/12/51/77/825125177.db2.gz DUNWWCMSAKICAO-WOPDTQHZSA-N 2 0 255.362 -0.131 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC1(c2ncccn2)CC1 ZINC001220934620 825125778 /nfs/dbraw/zinc/12/57/78/825125778.db2.gz SGABPFINOAIARJ-VIFPVBQESA-N 2 0 281.385 -0.399 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220935902 825125945 /nfs/dbraw/zinc/12/59/45/825125945.db2.gz AJSMMFGZHMYXPR-SNVBAGLBSA-N 2 0 271.365 -0.866 20 0 CBADRP O=C(NCCO[C@H]1CC[NH2+]C1)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001220935908 825126051 /nfs/dbraw/zinc/12/60/51/825126051.db2.gz ANDMUHQWRUOITG-DCAQKATOSA-N 2 0 259.325 -0.429 20 0 CBADRP Cc1noc(C2(NC(=O)[C@H]([NH3+])C3CC[NH2+]CC3)CC2)n1 ZINC001220932595 825126074 /nfs/dbraw/zinc/12/60/74/825126074.db2.gz ONGQYIFBIHJJAO-SNVBAGLBSA-N 2 0 279.344 -0.190 20 0 CBADRP O=C(CC1CC[NH2+]CC1)NCCO[C@H]1CC[NH2+]C1 ZINC001220937398 825126948 /nfs/dbraw/zinc/12/69/48/825126948.db2.gz QLZTXHQCRPMMSX-LBPRGKRZSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(NCCO[C@H]1CC[NH2+]C1)C1CC2(C[NH2+]C2)C1 ZINC001220937498 825127045 /nfs/dbraw/zinc/12/70/45/825127045.db2.gz SXGJRGFESWBXMT-NSHDSACASA-N 2 0 253.346 -0.519 20 0 CBADRP O=C(C=C1CC[NH2+]CC1)NCCO[C@H]1CC[NH2+]C1 ZINC001220937629 825127367 /nfs/dbraw/zinc/12/73/67/825127367.db2.gz WNPCGYDYFTZFFW-LBPRGKRZSA-N 2 0 253.346 -0.209 20 0 CBADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001220937466 825127612 /nfs/dbraw/zinc/12/76/12/825127612.db2.gz SCZHAFHHPBANDY-QNWHQSFQSA-N 2 0 283.372 -0.752 20 0 CBADRP CC1(C)C[C@@H](CNC(=O)[C@H]2C[NH2+]C[C@@H]2N)CCO1 ZINC001220952999 825128637 /nfs/dbraw/zinc/12/86/37/825128637.db2.gz JYXYFTOYCAACEH-DCAQKATOSA-N 2 0 255.362 -0.146 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCC1(c2cnccn2)CC1 ZINC001220992514 825132794 /nfs/dbraw/zinc/13/27/94/825132794.db2.gz OYOYKFVPUSOHCL-JTQLQIEISA-N 2 0 263.345 -0.309 20 0 CBADRP [NH3+][C@H](C(=O)NCC1(c2cnccn2)CC1)C1CC[NH2+]CC1 ZINC001220992127 825132938 /nfs/dbraw/zinc/13/29/38/825132938.db2.gz FHBFSGBYQFBAQQ-ZDUSSCGKSA-N 2 0 289.383 -0.049 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCO1 ZINC001221007824 825134655 /nfs/dbraw/zinc/13/46/55/825134655.db2.gz DXOGHALTJFNUIB-GMTAPVOTSA-N 2 0 253.346 -0.521 20 0 CBADRP COc1cc(C)[nH]c(=O)c1CNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001221015295 825136790 /nfs/dbraw/zinc/13/67/90/825136790.db2.gz CJHOMHZKUYGIDY-SNVBAGLBSA-N 2 0 282.344 -0.213 20 0 CBADRP COC[C@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C1CC1 ZINC001221012987 825136831 /nfs/dbraw/zinc/13/68/31/825136831.db2.gz GQXDTZZDOKKGDD-STQMWFEESA-N 2 0 284.404 -0.722 20 0 CBADRP [NH3+][C@@H](C(=O)NCCc1nncs1)C1CC[NH2+]CC1 ZINC001221012820 825136907 /nfs/dbraw/zinc/13/69/07/825136907.db2.gz CECICWFKEFANFN-SNVBAGLBSA-N 2 0 269.374 -0.476 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC12CCC2 ZINC001221015471 825137045 /nfs/dbraw/zinc/13/70/45/825137045.db2.gz IZWDPINCOJIDSS-NEPJUHHUSA-N 2 0 266.389 -0.204 20 0 CBADRP [NH3+][C@@H](C(=O)NC1(c2cnccn2)CC1)C1CC[NH2+]CC1 ZINC001221081958 825141430 /nfs/dbraw/zinc/14/14/30/825141430.db2.gz AGSXPZFIYJIHSD-GFCCVEGCSA-N 2 0 275.356 -0.091 20 0 CBADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001221073276 825141615 /nfs/dbraw/zinc/14/16/15/825141615.db2.gz NVFRWOFPQXBQGT-KGLIPLIRSA-N 2 0 299.415 -0.594 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221121947 825145395 /nfs/dbraw/zinc/14/53/95/825145395.db2.gz YPQKHZVSLRKNIZ-LBPRGKRZSA-N 2 0 278.356 -0.514 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1ccnn1CCF ZINC001221106428 825145639 /nfs/dbraw/zinc/14/56/39/825145639.db2.gz YWXZKGXACIHZJL-JTQLQIEISA-N 2 0 257.313 -0.465 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@@H]([NH3+])COC(C)=O)CC1 ZINC001221134165 825146144 /nfs/dbraw/zinc/14/61/44/825146144.db2.gz NXAINCOGEMQVSN-NSHDSACASA-N 2 0 287.360 -0.767 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@H]2[NH2+]CC[C@H]2O)CC1 ZINC001221136908 825146399 /nfs/dbraw/zinc/14/63/99/825146399.db2.gz XOESWDDLNUYIRY-MNOVXSKESA-N 2 0 271.361 -0.934 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@]2(N)CCC[NH2+]C2)CC1 ZINC001221134498 825147014 /nfs/dbraw/zinc/14/70/14/825147014.db2.gz YVSJISFPTRUKDT-AWEZNQCLSA-N 2 0 284.404 -0.576 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC001221134327 825147066 /nfs/dbraw/zinc/14/70/66/825147066.db2.gz VSCCWZZTBUBNON-UHFFFAOYSA-N 2 0 284.404 -0.752 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001221133930 825147131 /nfs/dbraw/zinc/14/71/31/825147131.db2.gz CHRLLPJEEZQDFZ-NSHDSACASA-N 3 0 272.393 -0.591 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@H]([NH3+])Cc2cnc[nH]2)CC1 ZINC001221133994 825147183 /nfs/dbraw/zinc/14/71/83/825147183.db2.gz FWZNOVPCVUJMHD-GFCCVEGCSA-N 2 0 295.387 -0.364 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001221187571 825151031 /nfs/dbraw/zinc/15/10/31/825151031.db2.gz ABBWOLNKLYOZLU-GUBZILKMSA-N 2 0 275.324 -0.527 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC001221188542 825151167 /nfs/dbraw/zinc/15/11/67/825151167.db2.gz XHVONHJKLWAFPL-VWYCJHECSA-N 2 0 271.361 -0.229 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@]1(C)CC[NH2+]C1 ZINC001221190173 825151237 /nfs/dbraw/zinc/15/12/37/825151237.db2.gz CXOLIQKNBBHJAN-JOYOIKCWSA-N 2 0 257.334 -0.617 20 0 CBADRP CC(C)(C)N1CC(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001221194087 825152769 /nfs/dbraw/zinc/15/27/69/825152769.db2.gz LKZDULSYIWFUKL-LBPRGKRZSA-N 2 0 268.405 -0.088 20 0 CBADRP CCCC[C@H](NC(=O)[C@H](CCCC[NH3+])[NH2+]C)C(N)=O ZINC001221234127 825157377 /nfs/dbraw/zinc/15/73/77/825157377.db2.gz DLOYWXHHKODLMZ-QWRGUYRKSA-N 2 0 272.393 -0.136 20 0 CBADRP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001221241250 825158580 /nfs/dbraw/zinc/15/85/80/825158580.db2.gz QZQWTGQWZPDSKX-WCQYABFASA-N 3 0 266.389 -0.604 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC1CN(C2COC2)C1 ZINC001221245794 825160370 /nfs/dbraw/zinc/16/03/70/825160370.db2.gz DCMKRGSHMYBTNF-AWEZNQCLSA-N 2 0 298.431 -0.319 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001221254751 825161872 /nfs/dbraw/zinc/16/18/72/825161872.db2.gz RYYPHLHJDMAVQF-LOWVWBTDSA-N 2 0 252.362 -0.994 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001221254666 825162149 /nfs/dbraw/zinc/16/21/49/825162149.db2.gz RYYPHLHJDMAVQF-DMDPSCGWSA-N 2 0 252.362 -0.994 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221250617 825162432 /nfs/dbraw/zinc/16/24/32/825162432.db2.gz RFDHZAHMRNAABE-SGMGOOAPSA-N 2 0 266.389 -0.428 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001221254773 825162446 /nfs/dbraw/zinc/16/24/46/825162446.db2.gz SRVFCVOFYXLJIB-CMPLNLGQSA-N 3 0 254.378 -0.619 20 0 CBADRP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@H]1C[NH2+]C[C@@H](O)C1 ZINC001221246299 825162707 /nfs/dbraw/zinc/16/27/07/825162707.db2.gz XAUVTBCHFCRKJL-VNHYZAJKSA-N 2 0 281.400 -0.005 20 0 CBADRP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@H]1[NH2+]CC[C@@H]1O ZINC001221250286 825162783 /nfs/dbraw/zinc/16/27/83/825162783.db2.gz DGJFPAYKGFGIKT-SGMGOOAPSA-N 2 0 267.373 -0.252 20 0 CBADRP CCOC(=O)/C=C(/NC(=O)[C@@H]([NH3+])CCC[NH3+])OCC ZINC001221262847 825164080 /nfs/dbraw/zinc/16/40/80/825164080.db2.gz REXKMTAXWUMVPN-CUQRQBARSA-N 2 0 273.333 -0.390 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCC(=O)NCC(F)(F)F ZINC001221278421 825167180 /nfs/dbraw/zinc/16/71/80/825167180.db2.gz RTJUUDWSTURPFC-ZETCQYMHSA-N 2 0 284.282 -0.763 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]1CO ZINC001221309808 825169062 /nfs/dbraw/zinc/16/90/62/825169062.db2.gz WGRZKSUYHJDHLC-GUBZILKMSA-N 2 0 261.391 -0.717 20 0 CBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CCC[C@H]1CO ZINC001221309822 825169405 /nfs/dbraw/zinc/16/94/05/825169405.db2.gz WPTWISJGRLGHCE-DRZSPHRISA-N 2 0 284.404 -0.986 20 0 CBADRP O=C(N[C@H]1CCC[C@H]1CO)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221309366 825169711 /nfs/dbraw/zinc/16/97/11/825169711.db2.gz PWGJPMSHYSCDID-KZVDOYCCSA-N 2 0 267.373 -0.537 20 0 CBADRP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001221332272 825172355 /nfs/dbraw/zinc/17/23/55/825172355.db2.gz IRZKTKCOXYYDHT-MELADBBJSA-N 2 0 275.352 -0.521 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221332347 825172517 /nfs/dbraw/zinc/17/25/17/825172517.db2.gz JQOPXMUJJAYWMD-QWHCGFSZSA-N 2 0 263.341 -0.392 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCCCC[NH3+] ZINC001221348575 825174905 /nfs/dbraw/zinc/17/49/05/825174905.db2.gz KDVAANPEJHCJSK-NSHDSACASA-N 2 0 258.366 -0.525 20 0 CBADRP [NH3+]CCCCNC(=O)[C@@H]1C[NH2+]Cc2ccnn2C1 ZINC001221342582 825175330 /nfs/dbraw/zinc/17/53/30/825175330.db2.gz CMLRFEBPWBTYPV-SNVBAGLBSA-N 2 0 251.334 -0.542 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221367212 825176216 /nfs/dbraw/zinc/17/62/16/825176216.db2.gz NNICIIFEDHVRIP-OUAUKWLOSA-N 2 0 288.367 -0.708 20 0 CBADRP CC(C)(C)[N@@H+]1CCN[C@H](C(=O)N[C@@H]2C[NH2+]CC[C@H]2F)C1 ZINC001221365464 825176292 /nfs/dbraw/zinc/17/62/92/825176292.db2.gz DFROZGCLNUMUSI-UTUOFQBUSA-N 2 0 286.395 -0.125 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001221367669 825176594 /nfs/dbraw/zinc/17/65/94/825176594.db2.gz SMQIDHPMHSWSCM-IGQOVBAYSA-N 2 0 298.406 -0.124 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@H]1CNC(=O)C1(C)C ZINC001221370040 825177855 /nfs/dbraw/zinc/17/78/55/825177855.db2.gz OTKBTORXQNYZPG-QWRGUYRKSA-N 2 0 284.404 -0.314 20 0 CBADRP O=C(NC[C@@H](CO)c1ccccc1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221376638 825179212 /nfs/dbraw/zinc/17/92/12/825179212.db2.gz DVDHJCYCERTPQK-KBPBESRZSA-N 2 0 289.379 -0.312 20 0 CBADRP O=C(NC[C@H]1CNC(=O)O1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221371825 825179251 /nfs/dbraw/zinc/17/92/51/825179251.db2.gz ZCDYOJRTYRJIDG-VHSXEESVSA-N 2 0 282.344 -0.915 20 0 CBADRP NC1=CC=C(C2CCN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)[NH2+]C1 ZINC001221390924 825180178 /nfs/dbraw/zinc/18/01/78/825180178.db2.gz JBQNFWKECFFGFC-TZMCWYRMSA-N 2 0 292.383 -0.723 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](N)CCC[NH3+] ZINC001221389227 825180229 /nfs/dbraw/zinc/18/02/29/825180229.db2.gz IYWDHBLHKLPXLT-SNVBAGLBSA-N 3 0 272.397 -0.884 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC001221399139 825182506 /nfs/dbraw/zinc/18/25/06/825182506.db2.gz MISKLZSROFZCPY-RDBSUJKOSA-N 2 0 274.368 -0.494 20 0 CBADRP C[C@]1(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCCOC1 ZINC001221403381 825182548 /nfs/dbraw/zinc/18/25/48/825182548.db2.gz SJWIFUVLMYXTJV-JSGCOSHPSA-N 2 0 284.404 -0.578 20 0 CBADRP N[C@@]1(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CCC[NH2+]C1 ZINC001221399574 825182639 /nfs/dbraw/zinc/18/26/39/825182639.db2.gz RFILHHQGAVDDEU-HOCLYGCPSA-N 2 0 288.395 -0.102 20 0 CBADRP C[NH+](C)CC1CCC(NC(=O)[C@H]2[NH2+]CC[C@H]2O)CC1 ZINC001221403119 825182661 /nfs/dbraw/zinc/18/26/61/825182661.db2.gz QROJDIJMCAYDKX-TUUUFIMRSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@@]1(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCCOC1 ZINC001221403369 825183067 /nfs/dbraw/zinc/18/30/67/825183067.db2.gz SJWIFUVLMYXTJV-GXTWGEPZSA-N 2 0 284.404 -0.578 20 0 CBADRP C[NH+](C)CC1CCC(NC(=O)CNCC[NH3+])CC1 ZINC001221403494 825183154 /nfs/dbraw/zinc/18/31/54/825183154.db2.gz UGOUPJLCWCQLOC-UHFFFAOYSA-N 2 0 256.394 -0.229 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221397909 825183373 /nfs/dbraw/zinc/18/33/73/825183373.db2.gz QGLWBVRWLLXOLU-QWHCGFSZSA-N 2 0 263.341 -0.473 20 0 CBADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@]2(N)CCC[NH2+]C2)c1 ZINC001221403973 825183931 /nfs/dbraw/zinc/18/39/31/825183931.db2.gz JZIYVTUTCMZSPG-UKRRQHHQSA-N 2 0 292.383 -0.108 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)[C@H](C)C1 ZINC001221405895 825183948 /nfs/dbraw/zinc/18/39/48/825183948.db2.gz CKYDREAEFBBDMV-LPWJVIDDSA-N 2 0 268.405 -0.089 20 0 CBADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@H]2C[NH2+]C[C@@H]2N)c1 ZINC001221405721 825184371 /nfs/dbraw/zinc/18/43/71/825184371.db2.gz VTSDKZLHRMTHSM-AVGNSLFASA-N 2 0 278.356 -0.642 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]C[C@H]2O)[C@H](C)C1 ZINC001221407042 825184705 /nfs/dbraw/zinc/18/47/05/825184705.db2.gz KHAMJDQXTBAMMF-MROQNXINSA-N 2 0 269.389 -0.198 20 0 CBADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@H]2[NH2+]CC[C@H]2O)c1 ZINC001221405257 825184736 /nfs/dbraw/zinc/18/47/36/825184736.db2.gz RFFRHXUCEWSJKL-XQQFMLRXSA-N 2 0 279.340 -0.466 20 0 CBADRP C[NH+]1CCC(CO)(NC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC001221407338 825184754 /nfs/dbraw/zinc/18/47/54/825184754.db2.gz XXNXLJAEDDTNHG-GFCCVEGCSA-N 2 0 255.362 -0.441 20 0 CBADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CCC[NH3+])c1 ZINC001221407310 825184767 /nfs/dbraw/zinc/18/47/67/825184767.db2.gz XTKQNRZJTQLTKO-QWHCGFSZSA-N 3 0 280.372 -0.123 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CC[C@H]2O)[C@H](C)C1 ZINC001221408461 825185260 /nfs/dbraw/zinc/18/52/60/825185260.db2.gz JMJWVYIMDYSTJI-XQHKEYJVSA-N 2 0 269.389 -0.056 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221410128 825185401 /nfs/dbraw/zinc/18/54/01/825185401.db2.gz QAXAFOYLNMGZDA-HNNXBMFYSA-N 2 0 280.416 -0.168 20 0 CBADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@H]1C[NH2+]CCN1 ZINC001221408287 825185830 /nfs/dbraw/zinc/18/58/30/825185830.db2.gz HYSBKYRGOUMKKJ-VXGBXAGGSA-N 2 0 252.362 -0.948 20 0 CBADRP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221410812 825186007 /nfs/dbraw/zinc/18/60/07/825186007.db2.gz RLPSOCMVTMUEMH-STQMWFEESA-N 3 0 278.400 -0.700 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221411869 825187866 /nfs/dbraw/zinc/18/78/66/825187866.db2.gz YHLRHSLWWABMMY-OLZOCXBDSA-N 2 0 277.372 -0.216 20 0 CBADRP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001221789180 825193480 /nfs/dbraw/zinc/19/34/80/825193480.db2.gz JGAZIFBOIHZWDG-CHWSQXEVSA-N 2 0 269.389 -0.147 20 0 CBADRP CNC(=O)CN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221788299 825193999 /nfs/dbraw/zinc/19/39/99/825193999.db2.gz NHEYBFVOEYSSAQ-VXGBXAGGSA-N 2 0 282.388 -0.783 20 0 CBADRP C(C[N@@H+]1CCNC2(CC[NH2+]CC2)C1)N1CCOCC1 ZINC001222085681 825199712 /nfs/dbraw/zinc/19/97/12/825199712.db2.gz IAPCGKYTCXEZAA-UHFFFAOYSA-N 2 0 268.405 -0.654 20 0 CBADRP [NH3+][C@H](Cc1ccccc1)CN1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001222374022 825208855 /nfs/dbraw/zinc/20/88/55/825208855.db2.gz OGDYMZJLEOIUEP-ZBFHGGJFSA-N 2 0 288.395 -0.280 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1CC[C@@H]1CCCC[NH2+]1 ZINC001222414156 825209791 /nfs/dbraw/zinc/20/97/91/825209791.db2.gz JHPQFYJUBZXVOW-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP C(C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21)[C@@H]1C[NH2+]CCO1 ZINC001222491543 825212820 /nfs/dbraw/zinc/21/28/20/825212820.db2.gz DPLXAPTUDUKJJV-RDBSUJKOSA-N 3 0 268.405 -0.609 20 0 CBADRP C([C@@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@]2(CCCCN2)C1 ZINC001222666267 825219713 /nfs/dbraw/zinc/21/97/13/825219713.db2.gz ANNBWHSJFPTERM-UONOGXRCSA-N 2 0 268.405 -0.608 20 0 CBADRP CNC(=O)C[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224326015 825237779 /nfs/dbraw/zinc/23/77/79/825237779.db2.gz KVYSXIKNILBFOI-UHFFFAOYSA-N 2 0 284.404 -0.488 20 0 CBADRP C[NH+](C)[C@H](C(=O)NC1CC[NH+](CCO)CC1)C1CC1 ZINC001227798440 825308583 /nfs/dbraw/zinc/30/85/83/825308583.db2.gz YERFVUTVACHKSW-ZDUSSCGKSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+](C)CCCC(=O)NC1CC[NH+](CCO)CC1 ZINC001228904671 825324893 /nfs/dbraw/zinc/32/48/93/825324893.db2.gz SRYACBDATHVHBL-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP C[C@H](C(N)=O)N1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001228888746 825323572 /nfs/dbraw/zinc/32/35/72/825323572.db2.gz LJMVSLXIWDUTRF-LLVKDONJSA-N 2 0 296.415 -0.217 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001230141413 825343520 /nfs/dbraw/zinc/34/35/20/825343520.db2.gz JXQLPVFMVHNSMY-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP c1nc2n(c1CN1CC[C@@H]3[NH2+]CC[C@H]31)CC[NH2+]CC2 ZINC001235041618 825483599 /nfs/dbraw/zinc/48/35/99/825483599.db2.gz JUPGJSIBVUNGHW-QWHCGFSZSA-N 2 0 261.373 -0.035 20 0 CBADRP CC1(C)[NH2+][C@@H](CCN2CCN[C@@]3(CC[NH2+]C3)C2)CO1 ZINC001235050891 825484372 /nfs/dbraw/zinc/48/43/72/825484372.db2.gz GJQDDWXZEIGFHE-GXTWGEPZSA-N 2 0 268.405 -0.262 20 0 CBADRP c1nc2n(c1CN1CCN[C@@]3(CC[NH2+]C3)C1)CCNC2 ZINC001235059965 825485015 /nfs/dbraw/zinc/48/50/15/825485015.db2.gz DFQANDKWFMEFLV-CQSZACIVSA-N 2 0 276.388 -0.876 20 0 CBADRP [NH3+][C@H](Cc1ccccc1)CN1CCNC(=O)C12C[NH2+]C2 ZINC001235068485 825487341 /nfs/dbraw/zinc/48/73/41/825487341.db2.gz IBDKSIOCOAIEPH-CYBMUJFWSA-N 2 0 274.368 -0.670 20 0 CBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(CC[NH3+])C2 ZINC001235268347 825490063 /nfs/dbraw/zinc/49/00/63/825490063.db2.gz AUFLGXDYMYWIKG-GHMZBOCLSA-N 2 0 295.305 -0.038 20 0 CBADRP C[C@@H]([NH3+])CN1CCC(C(=O)N2CC[NH2+]CC2)CC1 ZINC001235298536 825491835 /nfs/dbraw/zinc/49/18/35/825491835.db2.gz HDTFBNWCBPDWPQ-LLVKDONJSA-N 2 0 254.378 -0.523 20 0 CBADRP [NH3+]CCN1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001235516465 825499719 /nfs/dbraw/zinc/49/97/19/825499719.db2.gz JKZHEGWLQYFQFO-NEPJUHHUSA-N 2 0 263.345 -0.427 20 0 CBADRP C[NH+](C)Cc1cc(=O)n2c(n1)CN(CC[NH3+])CCC2 ZINC001235596443 825505861 /nfs/dbraw/zinc/50/58/61/825505861.db2.gz JAUQACBXUFUYBN-UHFFFAOYSA-N 2 0 265.361 -0.531 20 0 CBADRP COCCN1C[C@@H]2C[N@H+](CCCC[NH3+])C[C@@H]2C1=O ZINC001235596228 825507260 /nfs/dbraw/zinc/50/72/60/825507260.db2.gz GTBGYKGDAIWOQI-RYUDHWBXSA-N 2 0 255.362 -0.238 20 0 CBADRP FC(F)(F)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235866658 825514953 /nfs/dbraw/zinc/51/49/53/825514953.db2.gz ZDFSLTKHPYYTLY-UHFFFAOYSA-N 2 0 254.300 -0.367 20 0 CBADRP COC(=O)C[C@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235846903 825515125 /nfs/dbraw/zinc/51/51/25/825515125.db2.gz OLBLUMZYOTZTKF-QWRGUYRKSA-N 2 0 271.361 -0.452 20 0 CBADRP Cc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)nc1 ZINC001235869523 825515554 /nfs/dbraw/zinc/51/55/54/825515554.db2.gz CBJGOOZNARAISK-UHFFFAOYSA-N 2 0 277.416 -0.026 20 0 CBADRP C1=CO[C@@H](CN2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001235868479 825515764 /nfs/dbraw/zinc/51/57/64/825515764.db2.gz FFSOUCXYJUSGIY-CQSZACIVSA-N 2 0 268.405 -0.237 20 0 CBADRP COC(=O)C[C@@H]1C[NH2+]CCN1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235846904 825515971 /nfs/dbraw/zinc/51/59/71/825515971.db2.gz OMCGIFBWDZQFML-NWDGAFQWSA-N 2 0 285.388 -0.062 20 0 CBADRP C([C@H]1CCCO1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871090 825516257 /nfs/dbraw/zinc/51/62/57/825516257.db2.gz STHGPMLKSYPYCO-CYBMUJFWSA-N 2 0 256.394 -0.750 20 0 CBADRP COc1ccnc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235871830 825516303 /nfs/dbraw/zinc/51/63/03/825516303.db2.gz ZINNWRUEUNLXBN-UHFFFAOYSA-N 2 0 293.415 -0.325 20 0 CBADRP Cc1noc(C)c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870184 825516401 /nfs/dbraw/zinc/51/64/01/825516401.db2.gz PIIVFAIVHKEBFM-UHFFFAOYSA-N 2 0 281.404 -0.124 20 0 CBADRP Cc1nccc(CN2CC[NH2+]CCNCC[NH2+]CC2)n1 ZINC001235871643 825516412 /nfs/dbraw/zinc/51/64/12/825516412.db2.gz VRXNPZSPBMACLF-UHFFFAOYSA-N 2 0 278.404 -0.631 20 0 CBADRP Clc1cncc(CN2CC[NH2+]CCNCC[NH2+]CC2)n1 ZINC001235871150 825516467 /nfs/dbraw/zinc/51/64/67/825516467.db2.gz QCFAXSAHFSZOSE-UHFFFAOYSA-N 2 0 298.822 -0.286 20 0 CBADRP c1snnc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870071 825516641 /nfs/dbraw/zinc/51/66/41/825516641.db2.gz KYZJHAFJEWEOOV-UHFFFAOYSA-N 2 0 270.406 -0.878 20 0 CBADRP c1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)cnn1 ZINC001235870245 825516775 /nfs/dbraw/zinc/51/67/75/825516775.db2.gz IEHWQERKZWVNTR-UHFFFAOYSA-N 2 0 264.377 -0.939 20 0 CBADRP c1c[nH]c(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235871062 825516802 /nfs/dbraw/zinc/51/68/02/825516802.db2.gz RYNPJBKDLHCSND-UHFFFAOYSA-N 2 0 251.378 -0.401 20 0 CBADRP C([C@@H]1CCC[NH2+]C1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871057 825516813 /nfs/dbraw/zinc/51/68/13/825516813.db2.gz RTTQHIXXDDSORC-CQSZACIVSA-N 3 0 269.437 -0.930 20 0 CBADRP Oc1cnccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235872074 825516937 /nfs/dbraw/zinc/51/69/37/825516937.db2.gz ZJXPVUGSNBKMRX-UHFFFAOYSA-N 2 0 279.388 -0.628 20 0 CBADRP [NH3+]CCN(CC[NH3+])Cc1ccccc1N1CC[NH2+]CC1 ZINC001235878067 825518446 /nfs/dbraw/zinc/51/84/46/825518446.db2.gz SICIEWIJDHJLSN-UHFFFAOYSA-N 3 0 277.416 -0.184 20 0 CBADRP CCOC(=O)[C@]12CN(C[C@@H]3CC[NH2+]3)C[C@H]1C[NH2+]CC2 ZINC001236037424 825519369 /nfs/dbraw/zinc/51/93/69/825519369.db2.gz HUHXIDCHGUQSRW-MBNYWOFBSA-N 2 0 267.373 -0.177 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2C[C@H]3COC[C@@H](C2)C3[NH3+])O1 ZINC001235990588 825519389 /nfs/dbraw/zinc/51/93/89/825519389.db2.gz ASSFBIPOJCHVGW-PSIUFMSWSA-N 2 0 255.362 -0.384 20 0 CBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@@H](C)[NH3+])C[C@H]1C2 ZINC001236024116 825519637 /nfs/dbraw/zinc/51/96/37/825519637.db2.gz VYPPDCOHWDMPLZ-DIACKHNESA-N 3 0 267.373 -0.336 20 0 CBADRP CCOC(=O)[C@]12CN(CC3C[NH2+]C3)C[C@H]1C[NH2+]CC2 ZINC001236037851 825520138 /nfs/dbraw/zinc/52/01/38/825520138.db2.gz LJKADBRRBNNLSB-TZMCWYRMSA-N 2 0 267.373 -0.320 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1CC1(F)CC[NH2+]CC1 ZINC001236053289 825520929 /nfs/dbraw/zinc/52/09/29/825520929.db2.gz UUFMTFLQBHWYLM-JTQLQIEISA-N 2 0 259.325 -0.475 20 0 CBADRP [NH3+]CCNC(=O)c1cccc(CN2CC[C@@H]([NH3+])C2)c1 ZINC001236172647 825522340 /nfs/dbraw/zinc/52/23/40/825522340.db2.gz IYQGSGQDTFPCMH-CYBMUJFWSA-N 2 0 262.357 -0.092 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CC(O)([C@H]3CCCC[NH2+]3)C2)O1 ZINC001236162345 825523040 /nfs/dbraw/zinc/52/30/40/825523040.db2.gz FJDMYBYJROVWGX-NWDGAFQWSA-N 2 0 269.389 -0.100 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CC(O)([C@@H]3CCCC[NH2+]3)C2)O1 ZINC001236162347 825523537 /nfs/dbraw/zinc/52/35/37/825523537.db2.gz FJDMYBYJROVWGX-RYUDHWBXSA-N 2 0 269.389 -0.100 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1CC[C@H]1CCC[NH2+]C1 ZINC001236196525 825524372 /nfs/dbraw/zinc/52/43/72/825524372.db2.gz JVVHVCFNFZBRCR-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP c1cc(N2CC[NH2+]CC2)ncc1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236290297 825525678 /nfs/dbraw/zinc/52/56/78/825525678.db2.gz JIIOYJJPRCMDJQ-KBPBESRZSA-N 2 0 273.384 -0.105 20 0 CBADRP COC(=O)[C@@H]1CN(CC2(F)CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001236340801 825526745 /nfs/dbraw/zinc/52/67/45/825526745.db2.gz JYVPDIJFUIOXTA-NXEZZACHSA-N 2 0 259.325 -0.490 20 0 CBADRP Cn1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(=O)n(C)c1=O ZINC001236322209 825527313 /nfs/dbraw/zinc/52/73/13/825527313.db2.gz SYZQSOLRVQOYME-TXEJJXNPSA-N 2 0 292.383 -0.485 20 0 CBADRP COC(=O)[C@H]1CN(CC2(F)CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001236340812 825527397 /nfs/dbraw/zinc/52/73/97/825527397.db2.gz JYVPDIJFUIOXTA-VHSXEESVSA-N 2 0 259.325 -0.490 20 0 CBADRP COC(=O)[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]1N ZINC001236344758 825528265 /nfs/dbraw/zinc/52/82/65/825528265.db2.gz SJXMCQMFHLXXBJ-TUAOUCFPSA-N 2 0 255.362 -0.192 20 0 CBADRP COC(=O)[C@@H]1C[N@H+](CCC23CC([NH3+])(C2)C3)C[C@H]1N ZINC001236343229 825528620 /nfs/dbraw/zinc/52/86/20/825528620.db2.gz OYHGDFCTJZEXRQ-ITSCGTHASA-N 2 0 253.346 -0.310 20 0 CBADRP COC(=O)[C@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)C[C@@H]1[NH3+] ZINC001236349304 825529104 /nfs/dbraw/zinc/52/91/04/825529104.db2.gz GKHXJIMOUQRZNG-IUCAKERBSA-N 2 0 296.396 -0.279 20 0 CBADRP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001236818944 825533907 /nfs/dbraw/zinc/53/39/07/825533907.db2.gz LDDMLMKGROMBMM-UCHMUAQZSA-N 2 0 298.383 -0.107 20 0 CBADRP Cn1cc(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(=O)n(C)c1=O ZINC001237405891 825535014 /nfs/dbraw/zinc/53/50/14/825535014.db2.gz SJBHSSGCEKAWBL-AAEUAGOBSA-N 2 0 292.383 -0.342 20 0 CBADRP C[NH+](C)CCn1cc(NS(=O)(=O)CC[NH3+])cn1 ZINC001237470651 825535624 /nfs/dbraw/zinc/53/56/24/825535624.db2.gz BYJCKYJACGDBDS-UHFFFAOYSA-N 2 0 261.351 -0.855 20 0 CBADRP O=S(=O)(N[C@@H]1CC[NH2+]C[C@H]1F)C1CC[NH2+]CC1 ZINC001238052727 825545972 /nfs/dbraw/zinc/54/59/72/825545972.db2.gz MNJWVJSSNUFTCD-NXEZZACHSA-N 2 0 265.354 -0.642 20 0 CBADRP C[C@H]1[NH2+]CC[C@H]1CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238109772 825546438 /nfs/dbraw/zinc/54/64/38/825546438.db2.gz ZSVODQHNNNIXFX-PWSUYJOCSA-N 2 0 275.418 -0.097 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNS(=O)(=O)[C@H]2CC[NH2+]C2)C1 ZINC001238110974 825547152 /nfs/dbraw/zinc/54/71/52/825547152.db2.gz SWICNNPKFFTQFY-DCAQKATOSA-N 2 0 261.391 -0.487 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1CNS(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC001238164199 825548113 /nfs/dbraw/zinc/54/81/13/825548113.db2.gz JGAUXQGOSQPMNO-HBNTYKKESA-N 2 0 261.391 -0.344 20 0 CBADRP [NH3+]CCS(=O)(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001238179876 825549393 /nfs/dbraw/zinc/54/93/93/825549393.db2.gz OENWBUWDYDLSPM-UHFFFAOYSA-N 2 0 269.370 -0.290 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@]1(F)CC[NH2+]C1 ZINC001238242846 825551009 /nfs/dbraw/zinc/55/10/09/825551009.db2.gz OYBXARIODXPEKE-LLVKDONJSA-N 2 0 279.381 -0.393 20 0 CBADRP O=S(=O)(NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1c[nH]cn1 ZINC001238244257 825551201 /nfs/dbraw/zinc/55/12/01/825551201.db2.gz ZDOUPGQFHZJUET-SNVBAGLBSA-N 2 0 299.400 -0.438 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001238348662 825552011 /nfs/dbraw/zinc/55/20/11/825552011.db2.gz TWNOMQUCQWFFSE-WOPDTQHZSA-N 2 0 289.401 -0.965 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@]1(O)CCC[NH2+]C1 ZINC001238499299 825554250 /nfs/dbraw/zinc/55/42/50/825554250.db2.gz INPYHKXGVNJSKP-LBPRGKRZSA-N 2 0 291.417 -0.980 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@H]1C[NH2+]CC[C@H]1F ZINC001238504305 825554642 /nfs/dbraw/zinc/55/46/42/825554642.db2.gz KXVFPLAUTPJRIC-VXGBXAGGSA-N 2 0 293.408 -0.147 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238583489 825555622 /nfs/dbraw/zinc/55/56/22/825555622.db2.gz SYRWVTQWOPXRLW-MNOVXSKESA-N 2 0 261.391 -0.215 20 0 CBADRP C[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)[C@H]1C[NH2+]CCO1 ZINC001238626053 825558214 /nfs/dbraw/zinc/55/82/14/825558214.db2.gz QOBIYIKWBQGMNW-CMPLNLGQSA-N 2 0 291.417 -0.718 20 0 CBADRP C[NH+]1CCC(CCCNS(=O)(=O)CC[NH3+])CC1 ZINC001238798919 825562535 /nfs/dbraw/zinc/56/25/35/825562535.db2.gz QBVBYZOKMLBYOE-UHFFFAOYSA-N 2 0 263.407 -0.014 20 0 CBADRP C[NH2+][C@H]1C[C@H](NS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001238884582 825567766 /nfs/dbraw/zinc/56/77/66/825567766.db2.gz YNHXOJQNDFSOQP-XYPYZODXSA-N 2 0 261.391 -0.344 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1CC12C[NH2+]C2 ZINC001238878396 825568020 /nfs/dbraw/zinc/56/80/20/825568020.db2.gz OGBDJDRECNLXML-JTQLQIEISA-N 2 0 259.375 -0.733 20 0 CBADRP C[NH2+][C@H]1C[C@@H](NS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001238905073 825571529 /nfs/dbraw/zinc/57/15/29/825571529.db2.gz YNHXOJQNDFSOQP-PHIMTYICSA-N 2 0 261.391 -0.344 20 0 CBADRP [NH3+][C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@@H]1F ZINC001238920367 825572290 /nfs/dbraw/zinc/57/22/90/825572290.db2.gz BIIINVKVXMSRHF-UWVGGRQHSA-N 2 0 265.354 -0.703 20 0 CBADRP CN(C[C@H]1C[NH2+]CCO1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC001238938764 825574800 /nfs/dbraw/zinc/57/48/00/825574800.db2.gz PRUJIPXONYXQNJ-GFCCVEGCSA-N 2 0 291.417 -0.764 20 0 CBADRP C[C@@H]1CCN(S(=O)(=O)[C@H]2CC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC001238943655 825575040 /nfs/dbraw/zinc/57/50/40/825575040.db2.gz QNBIPBRGUDSTCA-UTUOFQBUSA-N 2 0 275.418 -0.015 20 0 CBADRP [NH3+]C[C@@]1(F)CCCN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC001238943717 825576136 /nfs/dbraw/zinc/57/61/36/825576136.db2.gz FYJRAFDGAWMLMT-GHMZBOCLSA-N 2 0 279.381 -0.169 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(S(=O)(=O)[C@H]2CC[NH2+]C2)CC1 ZINC001238943719 825576307 /nfs/dbraw/zinc/57/63/07/825576307.db2.gz FYJRAFDGAWMLMT-QWRGUYRKSA-N 2 0 279.381 -0.169 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)[C@H]2CC[NH2+]C2)CCC[C@H]1C[NH3+] ZINC001238957081 825576963 /nfs/dbraw/zinc/57/69/63/825576963.db2.gz UHSIIQWGRAQWIJ-WOPDTQHZSA-N 2 0 275.418 -0.015 20 0 CBADRP [NH3+]CC1(F)CCN(S(=O)(=O)C2CC[NH2+]CC2)CC1 ZINC001239014860 825581831 /nfs/dbraw/zinc/58/18/31/825581831.db2.gz ZLCRIZOTFLYOFJ-UHFFFAOYSA-N 2 0 279.381 -0.169 20 0 CBADRP O=S(=O)([C@H]1CC[NH2+]C1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001239001205 825582189 /nfs/dbraw/zinc/58/21/89/825582189.db2.gz OBKPQBXFCARKNY-NWDGAFQWSA-N 2 0 273.402 -0.104 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC2(C1)CCC[NH2+]2 ZINC001239046590 825583777 /nfs/dbraw/zinc/58/37/77/825583777.db2.gz LUHLPBZNIASOGZ-UHFFFAOYSA-N 2 0 273.402 -0.246 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001239046965 825583993 /nfs/dbraw/zinc/58/39/93/825583993.db2.gz NNYGHMAOFMHCHD-OLZOCXBDSA-N 2 0 287.429 -0.143 20 0 CBADRP CN([C@@H]1CCC[NH2+]C1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239063190 825583982 /nfs/dbraw/zinc/58/39/82/825583982.db2.gz CISLTFIILXNMGJ-GFCCVEGCSA-N 2 0 275.418 0.000 20 0 CBADRP CCO[C@@H]1C[C@H]2CN(S(=O)(=O)CC[NH3+])CC[N@@H+]2C1 ZINC001239080128 825584900 /nfs/dbraw/zinc/58/49/00/825584900.db2.gz BKJMSVKREXJLKV-WDEREUQCSA-N 2 0 277.390 -0.930 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001239073268 825585266 /nfs/dbraw/zinc/58/52/66/825585266.db2.gz LCCPJBBHMIXVMS-RYUDHWBXSA-N 2 0 275.418 -0.014 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001239073429 825585293 /nfs/dbraw/zinc/58/52/93/825585293.db2.gz MZQLCLQMRSACHL-UWVGGRQHSA-N 2 0 265.354 -0.702 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2C[C@@H](C1)[NH2+]2 ZINC001239074362 825585322 /nfs/dbraw/zinc/58/53/22/825585322.db2.gz SMBAXYWSWSKHEX-PHIMTYICSA-N 2 0 259.375 -0.638 20 0 CBADRP CCN(CC[NH+](CC)CC)S(=O)(=O)CC[NH3+] ZINC001239084836 825586692 /nfs/dbraw/zinc/58/66/92/825586692.db2.gz WFKZUTYFNWRYPP-UHFFFAOYSA-N 2 0 251.396 -0.061 20 0 CBADRP [NH3+]C[C@@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001239088151 825587036 /nfs/dbraw/zinc/58/70/36/825587036.db2.gz PHLNEVZLYYXDFX-NSHDSACASA-N 2 0 261.391 -0.404 20 0 CBADRP CC(C)C[C@H]1CN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001239096642 825587222 /nfs/dbraw/zinc/58/72/22/825587222.db2.gz GEBCHWWMPAFIOR-NWDGAFQWSA-N 2 0 275.418 -0.002 20 0 CBADRP [NH3+][C@@]12CC[C@H]1CN(S(=O)(=O)CC1CC[NH2+]CC1)C2 ZINC001239108554 825588834 /nfs/dbraw/zinc/58/88/34/825588834.db2.gz VSGLXAGAQDOFMY-NWDGAFQWSA-N 2 0 273.402 -0.261 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001239110382 825589665 /nfs/dbraw/zinc/58/96/65/825589665.db2.gz GFMZORWJCNHFDI-JQWIXIFHSA-N 2 0 275.418 -0.015 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2C[NH2+][C@@H]2C1 ZINC001239127286 825591206 /nfs/dbraw/zinc/59/12/06/825591206.db2.gz CUYUKUKXRCHMQG-GHMZBOCLSA-N 2 0 259.375 -0.781 20 0 CBADRP [NH3+]CCS(=O)(=O)N(Cc1ccncc1)[C@H]1CC[NH2+]C1 ZINC001239144541 825594496 /nfs/dbraw/zinc/59/44/96/825594496.db2.gz SLCPVIRJSAJLAI-LBPRGKRZSA-N 2 0 284.385 -0.466 20 0 CBADRP [NH3+]C[C@@]1(F)CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001239143347 825595146 /nfs/dbraw/zinc/59/51/46/825595146.db2.gz QIYCRALSBTZILZ-NSHDSACASA-N 2 0 279.381 -0.312 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCN2CC[C@H]2C1 ZINC001239166706 825595544 /nfs/dbraw/zinc/59/55/44/825595544.db2.gz BLNAIFIGKDESNZ-LBPRGKRZSA-N 2 0 273.402 -0.294 20 0 CBADRP CO[C@H]1C[NH2+]C[C@@H]1N(C)S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239175348 825596799 /nfs/dbraw/zinc/59/67/99/825596799.db2.gz ROYDJJVGQDKHJZ-RYUDHWBXSA-N 2 0 291.417 -0.766 20 0 CBADRP [NH3+]CCNC(=S)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239363926 825600327 /nfs/dbraw/zinc/60/03/27/825600327.db2.gz SNKDBDNJKQLANK-JTQLQIEISA-N 3 0 271.434 -0.717 20 0 CBADRP CCOC(=O)C1=C(NC(=S)NCC[NH+](C)C)C[NH2+]C1 ZINC001239383339 825601692 /nfs/dbraw/zinc/60/16/92/825601692.db2.gz PBNNHDZAEUFULT-UHFFFAOYSA-N 2 0 286.401 -0.568 20 0 CBADRP C[NH+](C)CCNC(=S)N1CCC[C@@](O)(C[NH3+])CC1 ZINC001239406584 825602435 /nfs/dbraw/zinc/60/24/35/825602435.db2.gz PRPPOSCGOJKBJJ-LBPRGKRZSA-N 2 0 274.434 -0.402 20 0 CBADRP S=C(NCC[NH+]1CCCCC1)NC[C@@H]1C[NH2+]CCN1 ZINC001239399780 825602590 /nfs/dbraw/zinc/60/25/90/825602590.db2.gz NQTFTLAQUGAWPE-LBPRGKRZSA-N 2 0 285.461 -0.502 20 0 CBADRP C[NH+](C)CCNC(=S)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001239425962 825604255 /nfs/dbraw/zinc/60/42/55/825604255.db2.gz VFBOVJPOEROFHE-LBPRGKRZSA-N 2 0 271.434 -0.940 20 0 CBADRP c1nn(C2C[NH2+]C2)cc1-c1nccnc1N1CC[NH2+]CC1 ZINC001241588686 825607553 /nfs/dbraw/zinc/60/75/53/825607553.db2.gz AAQPCXCEIUXAAN-UHFFFAOYSA-N 2 0 285.355 -0.106 20 0 CBADRP O[C@@H](C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F)C(F)(F)F ZINC001245973889 825615894 /nfs/dbraw/zinc/61/58/94/825615894.db2.gz LITKXXHNSLRRJB-BIIVOSGPSA-N 2 0 260.231 -0.438 20 0 CBADRP COC(=O)[C@H](CCCC[NH3+])NC[C@@]1(O)CCC[NH2+]C1 ZINC001245978520 825616312 /nfs/dbraw/zinc/61/63/12/825616312.db2.gz MYRVNKWYBSRMCL-WCQYABFASA-N 2 0 273.377 -0.639 20 0 CBADRP O[C@H](CN[C@@H]1C[NH2+]CC12CC2)CC1(O)CC[NH2+]CC1 ZINC001245988396 825617454 /nfs/dbraw/zinc/61/74/54/825617454.db2.gz VSAHDORYIYRZRN-NWDGAFQWSA-N 2 0 269.389 -0.807 20 0 CBADRP CCOC[C@@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245985965 825617628 /nfs/dbraw/zinc/61/76/28/825617628.db2.gz NPJZMYPGZCNWEJ-STQMWFEESA-N 2 0 271.405 -0.152 20 0 CBADRP O[C@H](CN[C@H]1CCCC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245986959 825617740 /nfs/dbraw/zinc/61/77/40/825617740.db2.gz AHMFHMCMFRCNAN-STQMWFEESA-N 2 0 271.405 -0.416 20 0 CBADRP C[C@@H]1CC[C@H](CNC[C@H](O)CC2(O)CC[NH2+]CC2)[NH2+]C1 ZINC001245990548 825617983 /nfs/dbraw/zinc/61/79/83/825617983.db2.gz JGNMXLVRWHDPFI-MGPQQGTHSA-N 2 0 285.432 -0.170 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245987392 825618002 /nfs/dbraw/zinc/61/80/02/825618002.db2.gz RUIKOGCVQFSLHB-NEPJUHHUSA-N 2 0 257.378 -0.543 20 0 CBADRP CCOC[C@@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245985963 825618089 /nfs/dbraw/zinc/61/80/89/825618089.db2.gz NPJZMYPGZCNWEJ-OLZOCXBDSA-N 2 0 271.405 -0.152 20 0 CBADRP O[C@@]1(CNC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCC[NH2+]C1 ZINC001245988256 825618260 /nfs/dbraw/zinc/61/82/60/825618260.db2.gz VAQJHOXKCNYTSE-HIFRSBDPSA-N 3 0 282.432 -0.435 20 0 CBADRP CCOC(=O)C[C@H](O)C[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001245990930 825618408 /nfs/dbraw/zinc/61/84/08/825618408.db2.gz TYEPQMSGTGOEAT-ZDUSSCGKSA-N 2 0 285.388 -0.674 20 0 CBADRP CCOC[C@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245985964 825618433 /nfs/dbraw/zinc/61/84/33/825618433.db2.gz NPJZMYPGZCNWEJ-QWHCGFSZSA-N 2 0 271.405 -0.152 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+]CC1(O)CCOCC1 ZINC001246004320 825619482 /nfs/dbraw/zinc/61/94/82/825619482.db2.gz BOQMNBAQIHJEKW-JTQLQIEISA-N 2 0 259.350 -0.900 20 0 CBADRP O[C@]1(CNC2(C(F)(F)F)C[NH2+]C2)CCC[NH2+]C1 ZINC001245999342 825619714 /nfs/dbraw/zinc/61/97/14/825619714.db2.gz ZYKVQWWNQNVTAU-MRVPVSSYSA-N 2 0 253.268 -0.405 20 0 CBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN[C@@H]1CC12C[NH2+]C2 ZINC001246010070 825620316 /nfs/dbraw/zinc/62/03/16/825620316.db2.gz MJISFTXGVWZHLW-BFHYXJOUSA-N 2 0 261.369 -0.131 20 0 CBADRP CC(C)OC[C@@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246006063 825620538 /nfs/dbraw/zinc/62/05/38/825620538.db2.gz GULJWNWDQGYUAQ-QWRGUYRKSA-N 2 0 261.366 -0.655 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@H](O)COCc1ccco1 ZINC001246006159 825620859 /nfs/dbraw/zinc/62/08/59/825620859.db2.gz HJDQLBIITBNHAK-YPMHNXCESA-N 2 0 299.371 -0.270 20 0 CBADRP O[C@@H](CN[C@@H]1C[NH2+]CC[C@@H]1F)CC1(O)CC[NH2+]CC1 ZINC001246011537 825621545 /nfs/dbraw/zinc/62/15/45/825621545.db2.gz IMMPTCRAEZSVBM-GRYCIOLGSA-N 2 0 275.368 -0.859 20 0 CBADRP CCCOC[C@@H](O)C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246017397 825621929 /nfs/dbraw/zinc/62/19/29/825621929.db2.gz ASRQSIVUSLYFOD-QWHCGFSZSA-N 2 0 260.378 -0.050 20 0 CBADRP [NH3+]C[C@@]1(F)CCC[N@H+](C[C@H](O)CN2CCOCC2)CC1 ZINC001246020397 825622080 /nfs/dbraw/zinc/62/20/80/825622080.db2.gz LATMQRUFGLBVOZ-UONOGXRCSA-N 2 0 289.395 -0.168 20 0 CBADRP C[C@@H]1CC[N@H+](C[C@@H](O)CN2CCOCC2)CC[C@H]1C[NH3+] ZINC001246020284 825622471 /nfs/dbraw/zinc/62/24/71/825622471.db2.gz KJLCRJAMGYCHMK-QLFBSQMISA-N 2 0 285.432 -0.014 20 0 CBADRP CC(C)(C)OC(=O)[C@H](O)C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246023026 825624168 /nfs/dbraw/zinc/62/41/68/825624168.db2.gz RTCQXVLQFRWTFM-BXUZGUMPSA-N 2 0 288.388 -0.135 20 0 CBADRP [NH3+]C[C@H]1C[N@H+](C[C@@H](O)COCc2ccco2)C[C@@H]1O ZINC001246024569 825624315 /nfs/dbraw/zinc/62/43/15/825624315.db2.gz UWSAZGKUUQPSKV-LOWVWBTDSA-N 2 0 270.329 -0.592 20 0 CBADRP C[C@@H]1[C@H]([NH3+])CCN1C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246025698 825625751 /nfs/dbraw/zinc/62/57/51/825625751.db2.gz ZHQWYKUVDDXTPG-IJLUTSLNSA-N 2 0 257.378 -0.727 20 0 CBADRP [NH3+]C[C@]1(O)CCCC[N@H+](CC2(O)CCOCC2)C1 ZINC001246025070 825626145 /nfs/dbraw/zinc/62/61/45/825626145.db2.gz SABZSSWDEXPRNA-CYBMUJFWSA-N 2 0 258.362 -0.296 20 0 CBADRP [NH3+]C[C@@]1(O)CCCC[N@H+](CC2(O)CCOCC2)C1 ZINC001246025072 825626569 /nfs/dbraw/zinc/62/65/69/825626569.db2.gz SABZSSWDEXPRNA-ZDUSSCGKSA-N 2 0 258.362 -0.296 20 0 CBADRP [NH3+][C@@H]1CC[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CC[C@@H]1F ZINC001246028257 825626581 /nfs/dbraw/zinc/62/65/81/825626581.db2.gz JFKXGOBXFMLTRT-FRRDWIJNSA-N 3 0 289.395 -0.387 20 0 CBADRP OC1(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)CCOCC1 ZINC001246028705 825627120 /nfs/dbraw/zinc/62/71/20/825627120.db2.gz KIXATMASKDFGAR-UHFFFAOYSA-N 2 0 269.389 -0.445 20 0 CBADRP [NH3+]C[C@@H]1CCCC[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246032072 825627812 /nfs/dbraw/zinc/62/78/12/825627812.db2.gz JAGXBSJJFLEVTD-KBPBESRZSA-N 2 0 285.432 -0.087 20 0 CBADRP [NH3+][C@H]1CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)CC(F)(F)C1 ZINC001246029869 825628264 /nfs/dbraw/zinc/62/82/64/825628264.db2.gz MGNOCMVSAQXUAQ-MNOVXSKESA-N 2 0 293.358 -0.480 20 0 CBADRP O[C@]1(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC001246034733 825629044 /nfs/dbraw/zinc/62/90/44/825629044.db2.gz XWQATJDNXVTGCA-CQSZACIVSA-N 3 0 268.405 -0.872 20 0 CBADRP CC1(C[NH3+])CN(C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246036304 825629324 /nfs/dbraw/zinc/62/93/24/825629324.db2.gz SLSNRGNGVQTUHK-LLVKDONJSA-N 2 0 257.378 -0.868 20 0 CBADRP CC(C)OC[C@@H](O)C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246048520 825629441 /nfs/dbraw/zinc/62/94/41/825629441.db2.gz YGRFLRBWCCSRNC-FXJUQPSGSA-N 2 0 258.362 -0.322 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CN1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246048649 825629689 /nfs/dbraw/zinc/62/96/89/825629689.db2.gz ZLORCKZORAQBCQ-RBKKPWLPSA-N 2 0 271.405 -0.405 20 0 CBADRP CC[C@H]([NH3+])CN(C)C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246058338 825630305 /nfs/dbraw/zinc/63/03/05/825630305.db2.gz KCQUICVIXYVWCI-NWDGAFQWSA-N 2 0 259.394 -0.479 20 0 CBADRP O[C@H](CN1CC[C@H]2[NH2+]CCC[C@@H]2C1)CC1(O)CC[NH2+]CC1 ZINC001246062167 825631817 /nfs/dbraw/zinc/63/18/17/825631817.db2.gz XSWOTQQIECRSTK-QLFBSQMISA-N 2 0 297.443 -0.074 20 0 CBADRP c1cnc(N2CC[C@@H]([NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)C2)nc1 ZINC001246083478 825633881 /nfs/dbraw/zinc/63/38/81/825633881.db2.gz ZOWUXWQZBYCGSX-CHWSQXEVSA-N 2 0 288.399 -0.261 20 0 CBADRP C[C@@H](CC(=O)N1CCOCC1)[NH2+]C1CC[NH2+]CC1 ZINC001246082167 825633990 /nfs/dbraw/zinc/63/39/90/825633990.db2.gz WLCMJBSBCQDCJW-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP O[C@@]1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]C[C@@H]1F ZINC001246080145 825634079 /nfs/dbraw/zinc/63/40/79/825634079.db2.gz GGJSYDKSLDXWGY-FPYNETTCSA-N 3 0 257.353 -0.079 20 0 CBADRP O=C1CC[C@H]2C[C@H]([NH2+]C[C@]3(O)CC[NH2+]C[C@@H]3F)CCN12 ZINC001246088045 825634524 /nfs/dbraw/zinc/63/45/24/825634524.db2.gz IDYMIDCXZOWMAM-OWTLIXCDSA-N 2 0 285.363 -0.208 20 0 CBADRP O=C([C@@H]1C[C@H](N[C@@H]2CCCC[NH2+]C2)C[NH2+]1)N1CCSC1 ZINC001246092974 825634653 /nfs/dbraw/zinc/63/46/53/825634653.db2.gz UGROWNIRVUOBEM-AGIUHOORSA-N 2 0 298.456 -0.019 20 0 CBADRP COC(=O)C1(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246096127 825634742 /nfs/dbraw/zinc/63/47/42/825634742.db2.gz IPCHQTVEGNIARC-GFCCVEGCSA-N 3 0 296.415 -0.787 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001246086252 825635200 /nfs/dbraw/zinc/63/52/00/825635200.db2.gz ZMCGDDBZFURAFW-MPPDQPJWSA-N 2 0 274.336 -0.020 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCCN2CC[NH2+]CC2)CN1 ZINC001246115055 825636251 /nfs/dbraw/zinc/63/62/51/825636251.db2.gz QEFCGCWCBPEKSE-OLZOCXBDSA-N 2 0 284.404 -0.835 20 0 CBADRP C[C@H]1CC[C@H](NCCC(=O)N2CC[NH2+]CC2)C[NH2+]1 ZINC001246107205 825636422 /nfs/dbraw/zinc/63/64/22/825636422.db2.gz GTLNXINTYJWILF-RYUDHWBXSA-N 2 0 254.378 -0.462 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246097888 825636474 /nfs/dbraw/zinc/63/64/74/825636474.db2.gz IMLWFZSGYVOMIG-AVGNSLFASA-N 3 0 252.406 -0.084 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246116812 825637490 /nfs/dbraw/zinc/63/74/90/825637490.db2.gz XELHEMJEFRCCPO-JHJVBQTASA-N 3 0 252.406 -0.084 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@H]3C[NH2+]CCN3C2)CN1 ZINC001246128668 825637555 /nfs/dbraw/zinc/63/75/55/825637555.db2.gz OOPXIMHZOQJUGO-RFGFWPKPSA-N 2 0 296.415 -0.837 20 0 CBADRP O=S1(=O)CC[C@H](NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001246125959 825637842 /nfs/dbraw/zinc/63/78/42/825637842.db2.gz KYPVGPAVLGTRDU-NEPJUHHUSA-N 2 0 287.429 -0.363 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246128370 825637984 /nfs/dbraw/zinc/63/79/84/825637984.db2.gz BZBDXJHZZSSIJZ-KBPBESRZSA-N 3 0 294.443 -0.029 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)O2)CN1 ZINC001246129403 825638100 /nfs/dbraw/zinc/63/81/00/825638100.db2.gz CRNGSJQDEIRVII-SRVKXCTJSA-N 2 0 283.372 -0.609 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)O2)CN1 ZINC001246129446 825638536 /nfs/dbraw/zinc/63/85/36/825638536.db2.gz DKJBEMGWJKIBBI-AVGNSLFASA-N 2 0 297.399 -0.219 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC001246137059 825638544 /nfs/dbraw/zinc/63/85/44/825638544.db2.gz HVDWDYIRBSXMOW-MQYQWHSLSA-N 3 0 264.417 -0.084 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCOC23C[NH2+]C3)CN1 ZINC001246137488 825638725 /nfs/dbraw/zinc/63/87/25/825638725.db2.gz IWYCQGWUKHCKJY-UTUOFQBUSA-N 2 0 283.372 -0.752 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@@H]3C[C@H]2C[NH2+]3)CN1 ZINC001246136731 825639019 /nfs/dbraw/zinc/63/90/19/825639019.db2.gz WHEDLRYBBLYWCF-OSUNSFLBSA-N 2 0 253.346 -0.380 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC3(C[NH2+]C3)CO2)CN1 ZINC001246131060 825639306 /nfs/dbraw/zinc/63/93/06/825639306.db2.gz QPEVXBXRILQOJT-UTUOFQBUSA-N 2 0 283.372 -0.752 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(NC2CC[NH+](C3CC3)CC2)N1 ZINC001246142329 825639983 /nfs/dbraw/zinc/63/99/83/825639983.db2.gz FKAWYTINWASKDZ-JSGCOSHPSA-N 2 0 264.373 -0.219 20 0 CBADRP C[C@@H]1CC[C@H](N[C@H]2CCS(=O)(=O)C23C[NH2+]C3)C[NH2+]1 ZINC001246140207 825640091 /nfs/dbraw/zinc/64/00/91/825640091.db2.gz GADBJAHQDMDYCM-VWYCJHECSA-N 2 0 273.402 -0.754 20 0 CBADRP C([NH2+]C1CC[NH2+]CC1)[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001246141051 825640181 /nfs/dbraw/zinc/64/01/81/825640181.db2.gz CGMBBHJJVOLHQO-TZMCWYRMSA-N 3 0 269.389 -0.277 20 0 CBADRP C([NH2+]C1C[C@@H]2COC[C@H](C1)N2)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246145959 825640923 /nfs/dbraw/zinc/64/09/23/825640923.db2.gz MVZBKVYNUGHYRZ-AVOUXACISA-N 2 0 294.443 -0.030 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCO[C@]3(CC[NH2+]C3)C2)CN1 ZINC001246147165 825640939 /nfs/dbraw/zinc/64/09/39/825640939.db2.gz JYGIKMFNQTXYCG-UKTARXLSSA-N 2 0 297.399 -0.219 20 0 CBADRP C[C@@H]1C[C@@H](N[C@]23CC[NH2+][C@@H]2CC(=O)N3)C[C@H](C)[NH2+]1 ZINC001246147939 825641394 /nfs/dbraw/zinc/64/13/94/825641394.db2.gz MPMSYVDLTBKDFD-TUTUZKQUSA-N 2 0 252.362 -0.317 20 0 CBADRP C[N@@H+]1CCC[C@H](N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)CC1 ZINC001246147895 825641589 /nfs/dbraw/zinc/64/15/89/825641589.db2.gz MJGCJUZCCJTXQN-DMDPSCGWSA-N 2 0 252.362 -0.362 20 0 CBADRP COC(=O)[C@@H]1C[C@H](NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CN1 ZINC001246145302 825641643 /nfs/dbraw/zinc/64/16/43/825641643.db2.gz MEDWIQIJWSWXFW-AVGNSLFASA-N 2 0 296.415 -0.646 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001246151049 825642710 /nfs/dbraw/zinc/64/27/10/825642710.db2.gz VMNQXPBFZFPNOB-AAVRWANBSA-N 3 0 280.416 -0.706 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(N[C@@H]2CCC3(C[NH2+]C3)C2)N1 ZINC001246154579 825643454 /nfs/dbraw/zinc/64/34/54/825643454.db2.gz VJFRTPNLXXMNDK-GBIKHYSHSA-N 2 0 250.346 -0.704 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(N[C@@H]2CCC3(C[NH2+]C3)C2)N1 ZINC001246154582 825643532 /nfs/dbraw/zinc/64/35/32/825643532.db2.gz VJFRTPNLXXMNDK-NRUUGDAUSA-N 2 0 250.346 -0.704 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001246156718 825643714 /nfs/dbraw/zinc/64/37/14/825643714.db2.gz NPGJGUFEZPZJNO-LZWOXQAQSA-N 3 0 294.443 -0.171 20 0 CBADRP O=c1[nH][nH]cc1CCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246173246 825644679 /nfs/dbraw/zinc/64/46/79/825644679.db2.gz KRMUGLRAPMBNNA-GHMZBOCLSA-N 2 0 265.361 -0.818 20 0 CBADRP Cn1cc2c(n1)[C@@H](C[NH2+][C@H]1CCNC3(C[NH2+]C3)C1)OCC2 ZINC001246164120 825644807 /nfs/dbraw/zinc/64/48/07/825644807.db2.gz LXIFNEASKLLBKM-QWHCGFSZSA-N 2 0 291.399 -0.283 20 0 CBADRP O=C([C@@H]1C[C@@H](NC[C@@H]2CCCC[NH2+]2)C[NH2+]1)N1CCSC1 ZINC001246172236 825644867 /nfs/dbraw/zinc/64/48/67/825644867.db2.gz ZWKPKSQNIHPPPT-XQQFMLRXSA-N 2 0 298.456 -0.019 20 0 CBADRP CN(C)C1(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH+](C)CC1 ZINC001246181380 825645230 /nfs/dbraw/zinc/64/52/30/825645230.db2.gz UBIBKHVBBFBAJM-CQSZACIVSA-N 3 0 295.475 -0.304 20 0 CBADRP CC(=O)N1CCC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246174979 825645659 /nfs/dbraw/zinc/64/56/59/825645659.db2.gz ZCNCAJKJZFLRTG-ZDUSSCGKSA-N 2 0 266.389 -0.319 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+](C)C2)CN1 ZINC001246178444 825645710 /nfs/dbraw/zinc/64/57/10/825645710.db2.gz XFTLPNIUBCLAMB-UTUOFQBUSA-N 2 0 255.362 -0.179 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CC2(F)CC[NH2+]CC2)CN1 ZINC001246180823 825645777 /nfs/dbraw/zinc/64/57/77/825645777.db2.gz PZAAPZTWBSFTQP-QWRGUYRKSA-N 2 0 273.352 -0.039 20 0 CBADRP F[C@]1(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCCNC1 ZINC001246180152 825646228 /nfs/dbraw/zinc/64/62/28/825646228.db2.gz PZQIJEBNDSWYIC-VXGBXAGGSA-N 2 0 256.369 -0.238 20 0 CBADRP COC(=O)CN1CCC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246185004 825646801 /nfs/dbraw/zinc/64/68/01/825646801.db2.gz QFRFRHKMLVUCKJ-CYBMUJFWSA-N 2 0 296.415 -0.693 20 0 CBADRP [NH3+]C1CC2(C1)CC([NH2+][C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246185405 825647218 /nfs/dbraw/zinc/64/72/18/825647218.db2.gz UPJKAJBRGCOENO-ZNOXQBFJSA-N 3 0 250.390 -0.060 20 0 CBADRP CS(=O)(=O)CCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246183291 825647441 /nfs/dbraw/zinc/64/74/41/825647441.db2.gz XEHHPPISVAOTJW-JTQLQIEISA-N 2 0 261.391 -0.895 20 0 CBADRP NC(=O)C1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCCCC1 ZINC001246188544 825647843 /nfs/dbraw/zinc/64/78/43/825647843.db2.gz KPVVFLNUSFICKD-NSHDSACASA-N 2 0 266.389 -0.142 20 0 CBADRP CC1(CC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)OCCO1 ZINC001246193554 825647901 /nfs/dbraw/zinc/64/79/01/825647901.db2.gz HATSNYBFFXWMRB-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CCOCCOCCOCCO)CC[NH2+]1 ZINC001246203755 825649410 /nfs/dbraw/zinc/64/94/10/825649410.db2.gz YHHWOQSKBLJNAS-ZIAGYGMSSA-N 2 0 290.404 -0.241 20 0 CBADRP OCCOCCOCCOCC[NH2+]C1CC[NH2+]CC1 ZINC001246201751 825649513 /nfs/dbraw/zinc/64/95/13/825649513.db2.gz JDHFNTAIIFSQLV-UHFFFAOYSA-N 2 0 276.377 -0.630 20 0 CBADRP COC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246206390 825650673 /nfs/dbraw/zinc/65/06/73/825650673.db2.gz ZMPGFMXKAQGUJQ-NEPJUHHUSA-N 2 0 284.404 -0.659 20 0 CBADRP COCCOCCOCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246207873 825651025 /nfs/dbraw/zinc/65/10/25/825651025.db2.gz QOFHICPEODVJHI-CYBMUJFWSA-N 2 0 287.404 -0.650 20 0 CBADRP COC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246211695 825651078 /nfs/dbraw/zinc/65/10/78/825651078.db2.gz OBWPINYCARJAFQ-GARJFASQSA-N 2 0 253.346 -0.378 20 0 CBADRP COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@H]1CC[NH2+][C@H](C)C1 ZINC001246215355 825651685 /nfs/dbraw/zinc/65/16/85/825651685.db2.gz SPIYJIXRQHAVNE-VWYCJHECSA-N 2 0 285.392 -0.479 20 0 CBADRP COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246212437 825651882 /nfs/dbraw/zinc/65/18/82/825651882.db2.gz LYXYXCNDCFJPQG-VWYCJHECSA-N 2 0 285.392 -0.479 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+]C1CN(C3CC[NH2+]CC3)C1)CS2 ZINC001246216188 825652144 /nfs/dbraw/zinc/65/21/44/825652144.db2.gz XNLXCYLLSFJSEA-NSHDSACASA-N 3 0 282.457 -0.140 20 0 CBADRP C1OCC1N1CCC[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246220361 825652984 /nfs/dbraw/zinc/65/29/84/825652984.db2.gz CTUNYXFWLPDMNI-QWHCGFSZSA-N 2 0 280.416 -0.467 20 0 CBADRP FC1(F)CNCC[C@H]1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246225271 825653028 /nfs/dbraw/zinc/65/30/28/825653028.db2.gz BIHVPZHNWYLCJN-WDEREUQCSA-N 2 0 274.359 -0.085 20 0 CBADRP [NH2+]=C(N[C@@H]1CCNC2(C[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC001246227300 825653350 /nfs/dbraw/zinc/65/33/50/825653350.db2.gz BUAYVQQCPVNSCO-LLVKDONJSA-N 3 0 251.378 -0.353 20 0 CBADRP O=S1(=O)CCC(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246219482 825653488 /nfs/dbraw/zinc/65/34/88/825653488.db2.gz ZUYAUCQEPGYYHZ-LBPRGKRZSA-N 2 0 287.429 -0.505 20 0 CBADRP CN1C(=O)CC[C@@H]1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246229619 825653900 /nfs/dbraw/zinc/65/39/00/825653900.db2.gz KSZQTKSJHWIIIO-WDEREUQCSA-N 2 0 252.362 -0.709 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CN1 ZINC001246229947 825654314 /nfs/dbraw/zinc/65/43/14/825654314.db2.gz KCGUJOCOAVNZEZ-UTUOFQBUSA-N 2 0 255.362 -0.131 20 0 CBADRP O[C@H](C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC001246230670 825654358 /nfs/dbraw/zinc/65/43/58/825654358.db2.gz RCTSOESPBGXICS-QWHCGFSZSA-N 3 0 268.405 -0.970 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CCO)CC2)CN1 ZINC001246231753 825654524 /nfs/dbraw/zinc/65/45/24/825654524.db2.gz FAHOQKNRXOXJAO-STQMWFEESA-N 2 0 285.388 -0.816 20 0 CBADRP COCCn1cncc1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246241155 825655212 /nfs/dbraw/zinc/65/52/12/825655212.db2.gz UPQYKTOHHJHQGM-LBPRGKRZSA-N 2 0 279.388 -0.287 20 0 CBADRP [NH3+][C@H]1CCc2nn([C@@H]3CCNC4(C[NH2+]C4)C3)cc2C1 ZINC001246241208 825655392 /nfs/dbraw/zinc/65/53/92/825655392.db2.gz YHVTZPWOSJSZGU-NWDGAFQWSA-N 2 0 261.373 -0.034 20 0 CBADRP COC(=O)[C@@H](CCCC[NH3+])N[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246239834 825655674 /nfs/dbraw/zinc/65/56/74/825655674.db2.gz KIXVWGXBWGQXOP-VXGBXAGGSA-N 2 0 284.404 -0.659 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001246246445 825655902 /nfs/dbraw/zinc/65/59/02/825655902.db2.gz HZQPXKWFANLVPG-KGLIPLIRSA-N 3 0 294.443 -0.171 20 0 CBADRP [NH3+]CCN(c1ccccn1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246256457 825656440 /nfs/dbraw/zinc/65/64/40/825656440.db2.gz PLXGEVNLEVTVEW-GFCCVEGCSA-N 2 0 261.373 -0.059 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1CO[C@]3(C1)CCC[NH2+]C3)CCN2 ZINC001246259124 825656573 /nfs/dbraw/zinc/65/65/73/825656573.db2.gz ZHIQTONVASNDJE-GUTXKFCHSA-N 3 0 280.416 -0.419 20 0 CBADRP CCOC(=O)CC1(N[C@@H]2CSC3(C[NH2+]C3)C2)C[NH2+]C1 ZINC001246248100 825656582 /nfs/dbraw/zinc/65/65/82/825656582.db2.gz IRXIUZWXMUKJKK-JTQLQIEISA-N 2 0 285.413 -0.281 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCN(C)CC2)CC[NH2+]1 ZINC001246254452 825656849 /nfs/dbraw/zinc/65/68/49/825656849.db2.gz HNBRPWHRODUEHD-STQMWFEESA-N 2 0 268.405 -0.119 20 0 CBADRP CCC[NH2+]CCN[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246271186 825658365 /nfs/dbraw/zinc/65/83/65/825658365.db2.gz QIUOWEGKPBCHBY-NEPJUHHUSA-N 2 0 286.445 -0.161 20 0 CBADRP O=C(C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)NCc1ccco1 ZINC001246280696 825659784 /nfs/dbraw/zinc/65/97/84/825659784.db2.gz VUZWQYPNEVEIHV-NSHDSACASA-N 2 0 278.356 -0.421 20 0 CBADRP c1cnc(N2CC([NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)C2)cn1 ZINC001246292644 825661248 /nfs/dbraw/zinc/66/12/48/825661248.db2.gz RYAPOEYDCDBAFM-LLVKDONJSA-N 2 0 274.372 -0.651 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CCCC[NH2+]C1 ZINC001246299612 825661652 /nfs/dbraw/zinc/66/16/52/825661652.db2.gz LKXIRFCLFDXUDS-IJLUTSLNSA-N 2 0 255.362 -0.131 20 0 CBADRP CC[C@H]([NH3+])CN[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246310984 825663365 /nfs/dbraw/zinc/66/33/65/825663365.db2.gz BLQQCCVUQQLAGH-AXFHLTTASA-N 2 0 272.418 -0.423 20 0 CBADRP O[C@H]1CCCN(CC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246312917 825663719 /nfs/dbraw/zinc/66/37/19/825663719.db2.gz CTSCHOCLJTXNLA-STQMWFEESA-N 2 0 268.405 -0.873 20 0 CBADRP NC[C@@]1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CN2CCC1CC2 ZINC001246322598 825664388 /nfs/dbraw/zinc/66/43/88/825664388.db2.gz BEBBMPFIJASXPJ-DZGCQCFKSA-N 2 0 279.432 -0.907 20 0 CBADRP COC(=O)[C@H](NC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001246327333 825664531 /nfs/dbraw/zinc/66/45/31/825664531.db2.gz INZUPLZHYLQRIL-GFCCVEGCSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CCCN2CCS(=O)(=O)CC2)CC[NH2+]1 ZINC001246335726 825665239 /nfs/dbraw/zinc/66/52/39/825665239.db2.gz LOIFWJYGPUOOSN-QWHCGFSZSA-N 2 0 289.445 -0.163 20 0 CBADRP CO[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246346165 825666474 /nfs/dbraw/zinc/66/64/74/825666474.db2.gz FERHLAFLPDNKKI-GRYCIOLGSA-N 3 0 254.378 -0.953 20 0 CBADRP CCOC(=O)C1=C(NC2C[C@@H]3COC[C@H](C2)[NH2+]3)C[NH2+]C1 ZINC001246348938 825666488 /nfs/dbraw/zinc/66/64/88/825666488.db2.gz JENKRXJTGGOPMU-FGWVZKOKSA-N 2 0 281.356 -0.484 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1CCC[C@@H]1N1CCOCC1)CCN2 ZINC001246338142 825666974 /nfs/dbraw/zinc/66/69/74/825666974.db2.gz XJQNBFLIDCAOMQ-KKUMJFAQSA-N 2 0 294.443 -0.077 20 0 CBADRP COCC(=O)N1CCC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246347392 825667310 /nfs/dbraw/zinc/66/73/10/825667310.db2.gz BWIYSHFVGDLYPL-ZDUSSCGKSA-N 2 0 296.415 -0.693 20 0 CBADRP C[C@@H]1C[C@H](NCCN(CC[NH3+])N(O)N=O)CC[NH2+]1 ZINC001246353148 825667531 /nfs/dbraw/zinc/66/75/31/825667531.db2.gz UQYLVZUCCCJBEN-NXEZZACHSA-N 2 0 260.342 -0.735 20 0 CBADRP CCOC(=O)[C@@H](C)C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246353231 825668048 /nfs/dbraw/zinc/66/80/48/825668048.db2.gz KEUALLDBAXPQBM-WDEREUQCSA-N 2 0 255.362 -0.131 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246352840 825668290 /nfs/dbraw/zinc/66/82/90/825668290.db2.gz ZQWBFTUTZWVZAM-OUAUKWLOSA-N 2 0 253.346 -0.521 20 0 CBADRP COCCC1(C[NH2+][C@@H]2CN[C@H](C(=O)OC)C2)CC[NH2+]CC1 ZINC001246369264 825668993 /nfs/dbraw/zinc/66/89/93/825668993.db2.gz GMQCACOTLIWFRS-STQMWFEESA-N 2 0 299.415 -0.114 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CCOCCN2C(=O)C=CC2=O)CC[NH2+]1 ZINC001246357550 825669027 /nfs/dbraw/zinc/66/90/27/825669027.db2.gz VYFUZGMEYMNIRO-NEPJUHHUSA-N 2 0 281.356 -0.342 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CC[NH2+]CC3)C2)CN1 ZINC001246368478 825669374 /nfs/dbraw/zinc/66/93/74/825669374.db2.gz CKFNQOLEURCSGF-OBJOEFQTSA-N 2 0 296.415 -0.694 20 0 CBADRP COCC1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCOCC1 ZINC001246367662 825669476 /nfs/dbraw/zinc/66/94/76/825669476.db2.gz AOHGFPZWZBLJHD-LBPRGKRZSA-N 2 0 269.389 -0.134 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@@H]1CCN(C3CC[NH2+]CC3)C1)CCN2 ZINC001246372470 825670207 /nfs/dbraw/zinc/67/02/07/825670207.db2.gz LZBPVGMXMJYKKM-ZIAGYGMSSA-N 3 0 293.459 -0.504 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C2CCN([C@H]3CC[NH2+]C3)CC2)CN1 ZINC001246370707 825670568 /nfs/dbraw/zinc/67/05/68/825670568.db2.gz GEWDGHGHGJGOEW-RDBSUJKOSA-N 2 0 296.415 -0.694 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246414490 825671402 /nfs/dbraw/zinc/67/14/02/825671402.db2.gz IDRAAQLYPYZYAL-QCNOEVLYSA-N 3 0 254.378 -0.443 20 0 CBADRP COCCC1([NH3+])CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246424689 825672661 /nfs/dbraw/zinc/67/26/61/825672661.db2.gz SEMBSYNLZXAIDH-CYBMUJFWSA-N 3 0 282.432 -0.090 20 0 CBADRP CCOC(=O)CN1CCC([NH2+][C@@H]2CC23C[NH2+]C3)CC1 ZINC001246441941 825672762 /nfs/dbraw/zinc/67/27/62/825672762.db2.gz AYGCYJNKNKZRTG-GFCCVEGCSA-N 2 0 267.373 -0.035 20 0 CBADRP COC(=O)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246445039 825673565 /nfs/dbraw/zinc/67/35/65/825673565.db2.gz FQBPMKRRGFIGND-TUAOUCFPSA-N 2 0 283.372 -0.752 20 0 CBADRP O=C([C@@H]1C[C@@H](N[C@@H]2CC23C[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246443923 825673815 /nfs/dbraw/zinc/67/38/15/825673815.db2.gz IMTDRDOUBUNGPX-OUAUKWLOSA-N 2 0 282.413 -0.799 20 0 CBADRP OC[C@@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1cccnc1 ZINC001246475157 825676285 /nfs/dbraw/zinc/67/62/85/825676285.db2.gz SAHHNXYASAQAEK-QWHCGFSZSA-N 2 0 262.357 -0.201 20 0 CBADRP CC[NH+](CC)CCNC(=[NH2+])N[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246495311 825677666 /nfs/dbraw/zinc/67/76/66/825677666.db2.gz ODJPFHDVYZLRFZ-GFCCVEGCSA-N 3 0 282.436 -0.464 20 0 CBADRP COC(=O)[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC001246497932 825677766 /nfs/dbraw/zinc/67/77/66/825677766.db2.gz OZVQMXRCBWGMAP-WRWGMCAJSA-N 2 0 255.362 -0.132 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246511483 825678433 /nfs/dbraw/zinc/67/84/33/825678433.db2.gz IYYLZEGODGYPLK-SRVKXCTJSA-N 2 0 256.394 -0.040 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(C)C1 ZINC001246510078 825678464 /nfs/dbraw/zinc/67/84/64/825678464.db2.gz CARUWFWMAXQPPV-NEPJUHHUSA-N 2 0 256.394 -0.086 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246511488 825678837 /nfs/dbraw/zinc/67/88/37/825678837.db2.gz IYYLZEGODGYPLK-UTUOFQBUSA-N 2 0 256.394 -0.040 20 0 CBADRP [NH3+]CCCC[C@H]([NH2+][C@@H]1CCNC(=O)C1)C(=O)N1CCCC1 ZINC001246520296 825679971 /nfs/dbraw/zinc/67/99/71/825679971.db2.gz PTVYRPOKBRMTKR-OLZOCXBDSA-N 2 0 296.415 -0.025 20 0 CBADRP COC(=O)N1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246522304 825680056 /nfs/dbraw/zinc/68/00/56/825680056.db2.gz BVDKJXONYQDEJW-NSHDSACASA-N 2 0 268.361 -0.536 20 0 CBADRP C[NH+](C)CCN1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246532072 825681778 /nfs/dbraw/zinc/68/17/78/825681778.db2.gz WDHNUKIVHFWOAZ-AWEZNQCLSA-N 3 0 281.448 -0.740 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)CN1 ZINC001246542315 825683032 /nfs/dbraw/zinc/68/30/32/825683032.db2.gz JWRDBNPKSSBNMP-GMXVVIOVSA-N 2 0 271.361 -0.934 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)CN1 ZINC001246556244 825685021 /nfs/dbraw/zinc/68/50/21/825685021.db2.gz FASVCIKBCSFUAO-VNHYZAJKSA-N 2 0 299.415 -0.154 20 0 CBADRP [NH3+]C[C@]1(O)CCCC[N@@H+]([C@@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246560007 825685856 /nfs/dbraw/zinc/68/58/56/825685856.db2.gz ORUIRXLNCKNOFQ-CHWSQXEVSA-N 3 0 269.389 -0.317 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCN[C@@H](C(F)(F)F)C2)C[C@H]1O ZINC001246578645 825688444 /nfs/dbraw/zinc/68/84/44/825688444.db2.gz GWDRFIFFBDSFBG-SGIHWFKDSA-N 2 0 267.295 -0.079 20 0 CBADRP O[C@@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC[C@H]1F ZINC001246575904 825689622 /nfs/dbraw/zinc/68/96/22/825689622.db2.gz LOTIRDCEFSEJBV-IJLUTSLNSA-N 2 0 257.353 -0.125 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCN[C@H](C(F)(F)F)C2)C[C@@H]1O ZINC001246582546 825690446 /nfs/dbraw/zinc/69/04/46/825690446.db2.gz GWDRFIFFBDSFBG-XKNYDFJKSA-N 2 0 267.295 -0.079 20 0 CBADRP N[C@@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC[C@H]1F ZINC001246583642 825690740 /nfs/dbraw/zinc/69/07/40/825690740.db2.gz IAQUDPJZUUMNNR-QJPTWQEYSA-N 2 0 256.369 -0.158 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+](C2CCN(C(=O)C(F)(F)F)CC2)C[C@@H]1O ZINC001246582491 825691088 /nfs/dbraw/zinc/69/10/88/825691088.db2.gz ZNCPQRVBCULMBB-WPRPVWTQSA-N 2 0 295.305 -0.209 20 0 CBADRP N[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246585934 825691553 /nfs/dbraw/zinc/69/15/53/825691553.db2.gz YTBNAHXCCUHKIH-NXEZZACHSA-N 2 0 260.332 -0.251 20 0 CBADRP COC[C@H]1C[NH2+]CCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246590941 825692510 /nfs/dbraw/zinc/69/25/10/825692510.db2.gz BGBMHLPZRMNCJU-VXGBXAGGSA-N 2 0 254.378 -0.999 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH+]2CCC3(C[NH2+]C3)CC2)CN1 ZINC001246604802 825693962 /nfs/dbraw/zinc/69/39/62/825693962.db2.gz RZCJQLKSTQICBT-MNOVXSKESA-N 2 0 253.346 -0.425 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](F)CN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246605902 825694011 /nfs/dbraw/zinc/69/40/11/825694011.db2.gz RTJYFYZTHQWZIP-VWYCJHECSA-N 2 0 271.336 -0.334 20 0 CBADRP Cc1nc(CC[N@@H+](C)[C@@H]2CCNC3(C[NH2+]C3)C2)no1 ZINC001246598359 825694030 /nfs/dbraw/zinc/69/40/30/825694030.db2.gz OAKYFISBUOWUDF-LLVKDONJSA-N 2 0 265.361 -0.054 20 0 CBADRP C1[NH2+]CC12CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246601635 825694169 /nfs/dbraw/zinc/69/41/69/825694169.db2.gz KOSYYVFESFLZHO-LBPRGKRZSA-N 3 0 250.390 -0.234 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCOCC3(CC[NH2+]CC3)C1)CCN2 ZINC001246614768 825695051 /nfs/dbraw/zinc/69/50/51/825695051.db2.gz QBHKFZZBUCGOFE-CQSZACIVSA-N 3 0 294.443 -0.218 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCOC3(CC[NH2+]CC3)C1)CCN2 ZINC001246608705 825695456 /nfs/dbraw/zinc/69/54/56/825695456.db2.gz YEJCCHXBYLMCLB-ZDUSSCGKSA-N 3 0 280.416 -0.465 20 0 CBADRP C1C[N@H+](C2C[C@@H]3COC[C@H](C2)N3)[C@H]2CC[NH2+]CC[C@@H]2N1 ZINC001246618631 825695748 /nfs/dbraw/zinc/69/57/48/825695748.db2.gz NBSXOFRVZQKZBW-AWQNUYMJSA-N 2 0 280.416 -0.468 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCN[C@H]3CC[NH2+]CC[C@@H]31)CCO2 ZINC001246618033 825695946 /nfs/dbraw/zinc/69/59/46/825695946.db2.gz JMKBWNDYGRQWSN-IHRRRGAJSA-N 3 0 280.416 -0.467 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CCNC[C@@]13CC[NH2+]C3)CCO2 ZINC001246623719 825696367 /nfs/dbraw/zinc/69/63/67/825696367.db2.gz KJBOSDFTVRUDSV-OLZOCXBDSA-N 2 0 266.389 -0.855 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CC[NH2+]C[C@]3(CCCCN3)C1)CCO2 ZINC001246628890 825698299 /nfs/dbraw/zinc/69/82/99/825698299.db2.gz MJAKXKOAWJWETK-HUUCEWRRSA-N 2 0 294.443 -0.075 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CC[NH2+]C[C@@]3(CCCCN3)C1)CCO2 ZINC001246628888 825698417 /nfs/dbraw/zinc/69/84/17/825698417.db2.gz MJAKXKOAWJWETK-GJZGRUSLSA-N 2 0 294.443 -0.075 20 0 CBADRP C[C@@H]1C[C@@H](N2CCO[C@@]3(C2)C[NH2+]CCOC3)CC[NH2+]1 ZINC001246626052 825698426 /nfs/dbraw/zinc/69/84/26/825698426.db2.gz GPXQDSGRKXTLSX-HZSPNIEDSA-N 2 0 269.389 -0.182 20 0 CBADRP C1C[C@]2(C[NH2+]1)CN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCN2 ZINC001246638746 825699597 /nfs/dbraw/zinc/69/95/97/825699597.db2.gz CUORCBFVPVUYMV-PIGZVRMJSA-N 2 0 250.390 -0.093 20 0 CBADRP C1C[C@@]2(C[NH2+]1)CN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCN2 ZINC001246638747 825700740 /nfs/dbraw/zinc/70/07/40/825700740.db2.gz CUORCBFVPVUYMV-QNMSZWNNSA-N 2 0 250.390 -0.093 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH+]1CC3(C1)CC[NH2+]CC3)CCN2 ZINC001246641415 825701166 /nfs/dbraw/zinc/70/11/66/825701166.db2.gz ZLYMEEMOFQEJCT-GFCCVEGCSA-N 3 0 250.390 -0.234 20 0 CBADRP COC(=O)[C@@]12COC[C@@H]1C[N@@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246642670 825701577 /nfs/dbraw/zinc/70/15/77/825701577.db2.gz MVDUKSFAHWEYMA-GVXVVHGQSA-N 2 0 254.330 -0.140 20 0 CBADRP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246646671 825702211 /nfs/dbraw/zinc/70/22/11/825702211.db2.gz XDABKEGCLFDMTL-HIFRSBDPSA-N 2 0 296.415 -0.739 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CC[C@@H]3C[NH2+]C[C@H]3C1)CCN2 ZINC001246645895 825702601 /nfs/dbraw/zinc/70/26/01/825702601.db2.gz CZVGFPIHUDYZDI-FRRDWIJNSA-N 2 0 250.390 -0.378 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@@H]3OCCN[C@H]3C1)CCN2 ZINC001246654867 825704213 /nfs/dbraw/zinc/70/42/13/825704213.db2.gz GDDUJBUZVURMTD-AGIUHOORSA-N 2 0 266.389 -0.857 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1C[C@H]3CCC[NH2+][C@H]3C1)CCN2 ZINC001246660517 825704238 /nfs/dbraw/zinc/70/42/38/825704238.db2.gz UTKHJMHRVQNKBF-UPJWGTAASA-N 3 0 250.390 -0.236 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](C3C[NH2+]C3)C2)CN1 ZINC001246681004 825706118 /nfs/dbraw/zinc/70/61/18/825706118.db2.gz ZABFCWGYAYHADQ-UHTWSYAYSA-N 2 0 267.373 -0.179 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH+]1CCC3(CC1)OCCO3)CCN2 ZINC001246679357 825706289 /nfs/dbraw/zinc/70/62/89/825706289.db2.gz VWQKGPYFHHBJEU-GFCCVEGCSA-N 2 0 267.373 -0.081 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@H](C3C[NH2+]C3)C2)CN1 ZINC001246680248 825706374 /nfs/dbraw/zinc/70/63/74/825706374.db2.gz SQLGFHXCZYPIIZ-DLOVCJGASA-N 2 0 253.346 -0.569 20 0 CBADRP COC(=O)C1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246679784 825706663 /nfs/dbraw/zinc/70/66/63/825706663.db2.gz XTFKBZBUJGEXPY-GFCCVEGCSA-N 2 0 267.373 -0.035 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH+]2CCC(C3C[NH2+]C3)CC2)CN1 ZINC001246680264 825706690 /nfs/dbraw/zinc/70/66/90/825706690.db2.gz SZPBSIUKUBWTAQ-OLZOCXBDSA-N 2 0 267.373 -0.179 20 0 CBADRP COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2C2CC[NH2+]CC2)O1 ZINC001246704505 825707545 /nfs/dbraw/zinc/70/75/45/825707545.db2.gz WDPCAKXXZGWUQR-MCIONIFRSA-N 2 0 297.399 -0.267 20 0 CBADRP COCc1nn([C@@H]2CCNC3(C[NH2+]C3)C2)c2c1C[NH2+]C2 ZINC001246712151 825707576 /nfs/dbraw/zinc/70/75/76/825707576.db2.gz FEXZFKFTCDGMCB-SNVBAGLBSA-N 2 0 277.372 -0.101 20 0 CBADRP CNC(=O)CN1CCO[C@H]2C[N@@H+]([C@@H]3CC[NH2+][C@@H](C)C3)C[C@H]21 ZINC001246730388 825707667 /nfs/dbraw/zinc/70/76/67/825707667.db2.gz KGBNYCFEIWTTDZ-DGAVXFQQSA-N 2 0 296.415 -0.742 20 0 CBADRP CCN1CCO[C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246756782 825708670 /nfs/dbraw/zinc/70/86/70/825708670.db2.gz XRUMTVWPFVAVBN-SOUVJXGZSA-N 2 0 294.443 -0.267 20 0 CBADRP COC[C@]12COC[C@H]1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246744984 825709224 /nfs/dbraw/zinc/70/92/24/825709224.db2.gz DXLQDMUNYHKISO-HZSPNIEDSA-N 2 0 281.400 -0.325 20 0 CBADRP C[NH2+]CC1CC[NH+]([C@@H]2CN[C@H](C(=O)OC)C2)CC1 ZINC001246781185 825710403 /nfs/dbraw/zinc/71/04/03/825710403.db2.gz NRKNUYNCSVHLPP-RYUDHWBXSA-N 2 0 255.362 -0.179 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](C[NH3+])C2)CN1 ZINC001246779691 825710451 /nfs/dbraw/zinc/71/04/51/825710451.db2.gz IOJSCPRYMSYADB-SRVKXCTJSA-N 2 0 255.362 -0.049 20 0 CBADRP NC(=O)[C@H]1CCCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246794041 825711526 /nfs/dbraw/zinc/71/15/26/825711526.db2.gz WFRAMQULKNTNRM-GHMZBOCLSA-N 2 0 252.362 -0.580 20 0 CBADRP CS(=O)(=O)[C@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246796579 825711546 /nfs/dbraw/zinc/71/15/46/825711546.db2.gz MJIPSLYHAXDDTB-QWRGUYRKSA-N 2 0 273.402 -0.801 20 0 CBADRP CN(C)C(=O)C1C[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246797128 825711589 /nfs/dbraw/zinc/71/15/89/825711589.db2.gz LTQQMMRJHKMIAF-NSHDSACASA-N 2 0 252.362 -0.900 20 0 CBADRP CN1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCC1=O ZINC001246794139 825712148 /nfs/dbraw/zinc/71/21/48/825712148.db2.gz GDQILFNJGNDTIG-LLVKDONJSA-N 2 0 252.362 -0.756 20 0 CBADRP CS(=O)(=O)C1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246798580 825712808 /nfs/dbraw/zinc/71/28/08/825712808.db2.gz VGMXDHAQNNPJKZ-NSHDSACASA-N 2 0 287.429 -0.411 20 0 CBADRP CCOC(=O)CC[N@H+](C)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246814243 825714403 /nfs/dbraw/zinc/71/44/03/825714403.db2.gz ORRVXSJYSJSGSN-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP COC(=O)C[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246817447 825714703 /nfs/dbraw/zinc/71/47/03/825714703.db2.gz KVENWNAOMKHGHD-VXGBXAGGSA-N 2 0 283.372 -0.656 20 0 CBADRP COC(=O)C[C@H]1C[NH2+]CCN1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246816507 825714994 /nfs/dbraw/zinc/71/49/94/825714994.db2.gz FQRYNUYVMOOSHH-UTUOFQBUSA-N 2 0 255.362 -0.036 20 0 CBADRP CC[C@H]1C[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)CC[NH2+]1 ZINC001246818867 825716116 /nfs/dbraw/zinc/71/61/16/825716116.db2.gz FACIXXFTDWQLCI-GJZGRUSLSA-N 3 0 283.464 -0.399 20 0 CBADRP COC(=O)[C@@H]1C[C@H](N2CC([N@H+](C)[C@@H]3CCOC3)C2)CN1 ZINC001246819792 825716287 /nfs/dbraw/zinc/71/62/87/825716287.db2.gz JSLAAOIWDRGQCF-MDZLAQPJSA-N 2 0 283.372 -0.705 20 0 CBADRP C1CSC[C@@H]([NH+]2CCNCC[NH2+]CCNCC2)C1 ZINC001246824595 825717052 /nfs/dbraw/zinc/71/70/52/825717052.db2.gz ZHXIORIRTYHGFV-ZDUSSCGKSA-N 2 0 272.462 -0.034 20 0 CBADRP C1CC(N2CC[NH2+]CCNCC[NH2+]CC2)CCO1 ZINC001246823764 825717495 /nfs/dbraw/zinc/71/74/95/825717495.db2.gz WIFLKTAGQBSYPN-UHFFFAOYSA-N 2 0 256.394 -0.750 20 0 CBADRP COC(=O)CC[C@H](C)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246824522 825717909 /nfs/dbraw/zinc/71/79/09/825717909.db2.gz YQASBZRDGJJLQD-ZDUSSCGKSA-N 2 0 286.420 -0.588 20 0 CBADRP COC(=O)[C@H]1[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246839029 825718999 /nfs/dbraw/zinc/71/89/99/825718999.db2.gz AGEKZMLXCPVZAB-WYUUTHIRSA-N 2 0 265.357 -0.569 20 0 CBADRP COC(=O)[C@@H]1C[C@H](N2CC3(C2)CCC[NH2+]CC3)CN1 ZINC001246854660 825722177 /nfs/dbraw/zinc/72/21/77/825722177.db2.gz QFYSLZPVMKYRIR-RYUDHWBXSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+][C@]12CC[C@H]1CN([C@@H]1C[NH2+][C@H](C(=O)N3CCSC3)C1)C2 ZINC001246854594 825722344 /nfs/dbraw/zinc/72/23/44/825722344.db2.gz QHQXNKWAYZPKHT-MNXVOIDGSA-N 2 0 296.440 -0.327 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246856575 825722802 /nfs/dbraw/zinc/72/28/02/825722802.db2.gz CSOFLLFUNADAQM-QCNOEVLYSA-N 2 0 253.346 -0.569 20 0 CBADRP CC(=O)N1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H](C)C1 ZINC001246860684 825724450 /nfs/dbraw/zinc/72/44/50/825724450.db2.gz WRCHCXLEHTZAGB-WCQYABFASA-N 2 0 266.389 -0.367 20 0 CBADRP c1ncc(N2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)cn1 ZINC001246868253 825725167 /nfs/dbraw/zinc/72/51/67/825725167.db2.gz KZKYFJJKYCMARA-ZDUSSCGKSA-N 2 0 288.399 -0.307 20 0 CBADRP C[C@@H]1C[C@H]([NH+]2CCC3(CC2)NC(=O)NC3=O)CC[NH2+]1 ZINC001246866121 825725267 /nfs/dbraw/zinc/72/52/67/825725267.db2.gz ZSSJIHLDIBBTDI-NXEZZACHSA-N 2 0 266.345 -0.199 20 0 CBADRP C[C@H]1C[C@H]([NH+]2CCC3(CC2)NC(=O)NC3=O)CC[NH2+]1 ZINC001246866123 825725364 /nfs/dbraw/zinc/72/53/64/825725364.db2.gz ZSSJIHLDIBBTDI-VHSXEESVSA-N 2 0 266.345 -0.199 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246908819 825729684 /nfs/dbraw/zinc/72/96/84/825729684.db2.gz VGIZMLZISUYJTE-ROHXPCBUSA-N 2 0 253.346 -0.441 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246908795 825730373 /nfs/dbraw/zinc/73/03/73/825730373.db2.gz VGIZMLZISUYJTE-LVEVGFFFSA-N 2 0 253.346 -0.441 20 0 CBADRP CC[C@H]1C[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CC[NH2+]1 ZINC001246926263 825732387 /nfs/dbraw/zinc/73/23/87/825732387.db2.gz SBGQRUIJXANGLP-KBPBESRZSA-N 3 0 299.463 -0.367 20 0 CBADRP COC(=O)[C@H]1CN(C2C[C@@H]3C=C[C@H](C2)[NH2+]3)C[C@@H]1[NH3+] ZINC001246930480 825732753 /nfs/dbraw/zinc/73/27/53/825732753.db2.gz AYYDFRXWSPXHHV-CFKCVQHJSA-N 2 0 251.330 -0.523 20 0 CBADRP COC(=O)[C@H]1C[C@@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CN1 ZINC001246929857 825733224 /nfs/dbraw/zinc/73/32/24/825733224.db2.gz HLGJXIFZKAZSMQ-YVECIDJPSA-N 2 0 267.373 -0.179 20 0 CBADRP COC(=O)[C@H]1CN(C2C[C@@H](C)[NH2+][C@H](C)C2)C[C@H]1[NH3+] ZINC001246938657 825734565 /nfs/dbraw/zinc/73/45/65/825734565.db2.gz PWTIIMOGHLAZQC-PKZYVASSSA-N 2 0 255.362 -0.053 20 0 CBADRP COCCC[NH+]1CCC(N2C[C@H]([NH3+])[C@@H](C(=O)OC)C2)CC1 ZINC001246941504 825735909 /nfs/dbraw/zinc/73/59/09/825735909.db2.gz VWSFZBQUHFEJBV-KBPBESRZSA-N 2 0 299.415 -0.081 20 0 CBADRP O=C1CCC2(CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)N1 ZINC001246964042 825737221 /nfs/dbraw/zinc/73/72/21/825737221.db2.gz CDRHRDUAOIUHKK-LBPRGKRZSA-N 2 0 278.400 -0.175 20 0 CBADRP COCCCN([C@H]1CC[NH2+]C1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246986559 825738729 /nfs/dbraw/zinc/73/87/29/825738729.db2.gz LJQAKWKQJIWRER-KBPBESRZSA-N 2 0 282.432 -0.219 20 0 CBADRP COCCCN([C@H]1CC[NH2+]C1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246986560 825739231 /nfs/dbraw/zinc/73/92/31/825739231.db2.gz LJQAKWKQJIWRER-KGLIPLIRSA-N 2 0 282.432 -0.219 20 0 CBADRP COC(=O)[C@@H]1C[C@H](N(CC[NH+](C)C)C2CC[NH2+]CC2)CN1 ZINC001246984518 825739291 /nfs/dbraw/zinc/73/92/91/825739291.db2.gz IRTQHHIFEUYPDR-KBPBESRZSA-N 2 0 298.431 -0.495 20 0 CBADRP CO[C@H]1C[NH2+]C[C@@H]1N(C)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246987699 825739627 /nfs/dbraw/zinc/73/96/27/825739627.db2.gz OCSGBNFMMKLHAI-DCAQKATOSA-N 2 0 257.403 -0.248 20 0 CBADRP N[C@@H](C[NH3+])Cc1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001249129569 825748277 /nfs/dbraw/zinc/74/82/77/825748277.db2.gz WYGGWGAICORNKE-SECBINFHSA-N 3 0 274.328 -0.394 20 0 CBADRP C[NH+](C)CCNC(=S)NCC[N@@H+]1CCC[C@H](O)C1 ZINC001249849654 825750972 /nfs/dbraw/zinc/75/09/72/825750972.db2.gz PFAIZQHOGKVLOB-NSHDSACASA-N 2 0 274.434 -0.531 20 0 CBADRP O[C@@H](C[NH2+]CC12CC[NH+](CC1)CC2)CN1CCOCC1 ZINC001251039480 825769922 /nfs/dbraw/zinc/76/99/22/825769922.db2.gz GXFSXKHONKRGSE-AWEZNQCLSA-N 2 0 283.416 -0.245 20 0 CBADRP CCOC[C@@H](O)CN(CC[NH+](C)C)CC[NH+](C)C ZINC001252025307 825812468 /nfs/dbraw/zinc/81/24/68/825812468.db2.gz AJTOJDXPLYMSAX-ZDUSSCGKSA-N 2 0 261.410 -0.191 20 0 CBADRP CCOC[C@H](O)C[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001252042334 825814812 /nfs/dbraw/zinc/81/48/12/825814812.db2.gz DWSGMUOWOVTXRR-CYBMUJFWSA-N 2 0 273.421 -0.001 20 0 CBADRP CC(C)OC[C@@H](O)C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001252676859 825881662 /nfs/dbraw/zinc/88/16/62/825881662.db2.gz ZBHUTARPGVGYNX-AWEZNQCLSA-N 2 0 273.421 -0.049 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001252830175 825893249 /nfs/dbraw/zinc/89/32/49/825893249.db2.gz XPAKFDYDVCQQHA-AVGNSLFASA-N 2 0 287.404 -0.428 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC001253180719 825903161 /nfs/dbraw/zinc/90/31/61/825903161.db2.gz HYEYDEFOTBZADF-ZIAGYGMSSA-N 2 0 273.421 -0.049 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H]1CCN(C)C(=O)C1 ZINC001253202914 825904630 /nfs/dbraw/zinc/90/46/30/825904630.db2.gz CCXIWJOJESFVFF-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H]1CCCC(=O)NC1 ZINC001253208234 825905571 /nfs/dbraw/zinc/90/55/71/825905571.db2.gz OTHPDRVFVAQVOB-RYUDHWBXSA-N 2 0 257.378 -0.053 20 0 CBADRP CC[NH+](CC)C[C@@H](O)CNC(=[NH2+])N1CCN(C)CC1 ZINC001253207360 825906000 /nfs/dbraw/zinc/90/60/00/825906000.db2.gz FOJUDCFDMJLLOX-LBPRGKRZSA-N 2 0 271.409 -0.539 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+]CCCCN1C(=O)C=CC1=O ZINC001253214398 825906889 /nfs/dbraw/zinc/90/68/89/825906889.db2.gz PZQAPLUEEFERKC-CYBMUJFWSA-N 2 0 297.399 -0.016 20 0 CBADRP COCC[NH+]1CCN(C[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253388321 825910501 /nfs/dbraw/zinc/91/05/01/825910501.db2.gz GXXDBRAZFPBTMI-CYBMUJFWSA-N 2 0 273.421 -0.001 20 0 CBADRP C[NH+]1CCN(CCC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253383742 825911333 /nfs/dbraw/zinc/91/13/33/825911333.db2.gz JKXABRSBHVXIOZ-AWEZNQCLSA-N 3 0 286.464 -0.038 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H]2CCNC(=O)[C@@H]2C1 ZINC001253394666 825911880 /nfs/dbraw/zinc/91/18/80/825911880.db2.gz QDXFPUFAKNJTKU-QJPTWQEYSA-N 2 0 269.389 -0.197 20 0 CBADRP C[NH+]1CCN(CC[NH2+]C[C@H](O)COC(C)(C)C)CC1 ZINC001253466896 825916081 /nfs/dbraw/zinc/91/60/81/825916081.db2.gz GGKAARTUVAXMNS-ZDUSSCGKSA-N 2 0 273.421 -0.001 20 0 CBADRP [NH3+]CCCOCCOCCC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001254317803 825949118 /nfs/dbraw/zinc/94/91/18/825949118.db2.gz QPCOARJNCZISPV-GFCCVEGCSA-N 2 0 294.417 -0.465 20 0 CBADRP COC(=O)[C@H](C[NH3+])C[NH2+]C1CCN(C(C)=O)CC1 ZINC001254416642 825960333 /nfs/dbraw/zinc/96/03/33/825960333.db2.gz BLYJOLFDTZINJW-SNVBAGLBSA-N 2 0 257.334 -0.665 20 0 CBADRP CCOC(=O)N1CC[C@H]([NH2+]C[C@@H](C[NH3+])C(=O)OC)C1 ZINC001256017267 825997117 /nfs/dbraw/zinc/99/71/17/825997117.db2.gz OUMVUIIXJJUPHV-ZJUUUORDSA-N 2 0 273.333 -0.445 20 0 CBADRP CCOC(=O)N1CC[C@@H]([NH2+]CCN(C)CC[NH3+])C1 ZINC001256021123 825998385 /nfs/dbraw/zinc/99/83/85/825998385.db2.gz GUBYDRNDFUQPFZ-LLVKDONJSA-N 2 0 258.366 -0.303 20 0 CBADRP COC(=O)[C@H](C[NH3+])CNC1CC[NH+](C2CC2)CC1 ZINC001256067927 826000959 /nfs/dbraw/zinc/00/09/59/826000959.db2.gz OIUHZTCHMSSXGM-SNVBAGLBSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(CC[NH3+])CC[NH2+]C1CCN(c2ncccn2)CC1 ZINC001256051144 826001094 /nfs/dbraw/zinc/00/10/94/826001094.db2.gz BUSNAQFNULJTBV-UHFFFAOYSA-N 2 0 278.404 -0.075 20 0 CBADRP C[C@@H](CC(=O)N1CCOCC1)[NH2+]CCN(C)CC[NH3+] ZINC001256327127 826011621 /nfs/dbraw/zinc/01/16/21/826011621.db2.gz AQCFADCEIJRDRR-LBPRGKRZSA-N 2 0 272.393 -0.896 20 0 CBADRP C[C@@H](O)[C@@H](CO)[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256676305 826029291 /nfs/dbraw/zinc/02/92/91/826029291.db2.gz POGGMYPRBPPWHA-BLYZHGLHSA-N 2 0 272.389 -0.039 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C[NH3+])C[C@H]1C(=O)OC ZINC001257715152 826052154 /nfs/dbraw/zinc/05/21/54/826052154.db2.gz BXNWRKUAEQNTDP-GWOFURMSSA-N 2 0 288.344 -0.974 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[NH3+])C[C@H]1C(=O)OC ZINC001257715154 826052173 /nfs/dbraw/zinc/05/21/73/826052173.db2.gz BXNWRKUAEQNTDP-LNFKQOIKSA-N 2 0 288.344 -0.974 20 0 CBADRP CCOC(=O)CC[C@H](C)[NH2+]CCN(CC[NH3+])N(O)N=O ZINC001258484659 826066007 /nfs/dbraw/zinc/06/60/07/826066007.db2.gz VYVSUZJOZYKULT-JTQLQIEISA-N 2 0 291.352 -0.144 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC001261379815 826508620 /nfs/dbraw/zinc/50/86/20/826508620.db2.gz NBPKZLZCZGWUOO-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC001261379814 826508791 /nfs/dbraw/zinc/50/87/91/826508791.db2.gz NBPKZLZCZGWUOO-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001261378612 826509022 /nfs/dbraw/zinc/50/90/22/826509022.db2.gz FDIAPIYXEWPEHH-AGIUHOORSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1cn[nH]c1 ZINC001261436330 826511983 /nfs/dbraw/zinc/51/19/83/826511983.db2.gz YHXAQZMTSWIPET-AAEUAGOBSA-N 2 0 267.377 -0.331 20 0 CBADRP C[C@H](CO)CCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001261436968 826512880 /nfs/dbraw/zinc/51/28/80/826512880.db2.gz QDLDPCASKWEBOO-UONOGXRCSA-N 2 0 273.421 -0.407 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001261436043 826512984 /nfs/dbraw/zinc/51/29/84/826512984.db2.gz NWOOGWXZXJUKFL-ARFHVFGLSA-N 3 0 296.459 -0.189 20 0 CBADRP C[C@@H]([NH3+])C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001261457478 826516061 /nfs/dbraw/zinc/51/60/61/826516061.db2.gz LHYQELOTGIFXAP-GHMZBOCLSA-N 2 0 254.378 -0.382 20 0 CBADRP O=C(COC1CC[NH2+]CC1)NC[C@@H]1CCC[NH2+]C1 ZINC001261460820 826517684 /nfs/dbraw/zinc/51/76/84/826517684.db2.gz QFVIWANICJZBIT-LLVKDONJSA-N 2 0 255.362 -0.129 20 0 CBADRP [NH3+]C[C@@H]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001261460752 826517704 /nfs/dbraw/zinc/51/77/04/826517704.db2.gz NNUODAVAIDIEBH-WDEREUQCSA-N 2 0 268.361 -0.948 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)c1cn(CCCC[NH3+])nn1 ZINC001261461114 826517964 /nfs/dbraw/zinc/51/79/64/826517964.db2.gz ZDMLBFDJWJTJKM-VIFPVBQESA-N 2 0 254.338 -0.564 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C(C)(C)C[NH3+])C[C@H]2[NH3+])cn1 ZINC001261475719 826519620 /nfs/dbraw/zinc/51/96/20/826519620.db2.gz ALQVJVVLGUZNNE-WDEREUQCSA-N 2 0 265.361 -0.342 20 0 CBADRP CSCC[C@H]([NH3+])C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001261474709 826519834 /nfs/dbraw/zinc/51/98/34/826519834.db2.gz IQGGLBDLWDGWHH-UWVGGRQHSA-N 2 0 261.391 -0.357 20 0 CBADRP COC1(C(=O)NCCCN2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001261490446 826522863 /nfs/dbraw/zinc/52/28/63/826522863.db2.gz VIMCYHLAWWYIJN-UHFFFAOYSA-N 2 0 284.404 -0.834 20 0 CBADRP [NH3+]CCOCC(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC001261494815 826525927 /nfs/dbraw/zinc/52/59/27/826525927.db2.gz GHJXPWQGFQQPDG-UHFFFAOYSA-N 2 0 267.333 -0.279 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001261530424 826534397 /nfs/dbraw/zinc/53/43/97/826534397.db2.gz DCPNAJMLPDABLV-DGCLKSJQSA-N 2 0 268.405 -0.134 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001261630192 826547462 /nfs/dbraw/zinc/54/74/62/826547462.db2.gz DPNHGWMUTVSAIS-UHFFFAOYSA-N 2 0 296.375 -0.810 20 0 CBADRP [NH3+]CCCCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001261643118 826553045 /nfs/dbraw/zinc/55/30/45/826553045.db2.gz GPTWJNZTJNSVMF-VIFPVBQESA-N 2 0 251.334 -0.045 20 0 CBADRP CC(C)(CO)[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC001261642900 826553215 /nfs/dbraw/zinc/55/32/15/826553215.db2.gz YLFHYIWIYFZGBK-LBPRGKRZSA-N 2 0 257.378 -0.637 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H](C)C[NH3+])CC1 ZINC001261644093 826553785 /nfs/dbraw/zinc/55/37/85/826553785.db2.gz PCOGHPPWABBUTD-NSHDSACASA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001261644596 826553797 /nfs/dbraw/zinc/55/37/97/826553797.db2.gz FTWYKRWUVSRGQJ-ZDUSSCGKSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](CNC(=O)CC1([NH3+])CC1)N1CC[NH+](C)CC1 ZINC001261643866 826554453 /nfs/dbraw/zinc/55/44/53/826554453.db2.gz ILPBIXYRLDILHS-NSHDSACASA-N 2 0 254.378 -0.380 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001261819670 826586491 /nfs/dbraw/zinc/58/64/91/826586491.db2.gz GRSLPGNNXFYOKP-WOPDTQHZSA-N 2 0 282.388 -0.547 20 0 CBADRP C[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC001261818798 826586612 /nfs/dbraw/zinc/58/66/12/826586612.db2.gz IADNUFUPPMWIOJ-SNVBAGLBSA-N 2 0 256.350 -0.896 20 0 CBADRP [NH3+]CC1(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CCOCC1 ZINC001261892270 826605136 /nfs/dbraw/zinc/60/51/36/826605136.db2.gz CUHRRZGTLMRCFB-NRUUGDAUSA-N 2 0 253.346 -0.262 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001262008118 826618292 /nfs/dbraw/zinc/61/82/92/826618292.db2.gz BCMMPPIGSQTOMO-VHSXEESVSA-N 2 0 251.334 -0.122 20 0 CBADRP Cc1cc(C[NH3+])oc1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001262009225 826619391 /nfs/dbraw/zinc/61/93/91/826619391.db2.gz OPHAQBMBOVFRDC-SECBINFHSA-N 2 0 253.302 -0.235 20 0 CBADRP C[NH+]1CCN(C2CC[NH+](CCOCCO)CC2)CC1 ZINC001262018201 826621686 /nfs/dbraw/zinc/62/16/86/826621686.db2.gz ZSDQIWPVJKUYNH-UHFFFAOYSA-N 2 0 271.405 -0.293 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC001262059871 826629448 /nfs/dbraw/zinc/62/94/48/826629448.db2.gz LCYRLTQGQNDRFF-UHFFFAOYSA-N 2 0 270.377 -0.560 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC001262075057 826633605 /nfs/dbraw/zinc/63/36/05/826633605.db2.gz IZTHIWSBDLGTEN-AVGNSLFASA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC001262161745 826645863 /nfs/dbraw/zinc/64/58/63/826645863.db2.gz SUBNKHLHIRNETM-RYUDHWBXSA-N 2 0 282.388 -0.654 20 0 CBADRP [NH3+]CC(C[NH3+])NCC(=O)Nc1cc(F)ccc1F ZINC001262195174 826657064 /nfs/dbraw/zinc/65/70/64/826657064.db2.gz QRVSCQPTOFWIQX-UHFFFAOYSA-N 2 0 258.272 -0.221 20 0 CBADRP CONC(=O)C1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001262195091 826657123 /nfs/dbraw/zinc/65/71/23/826657123.db2.gz NVKGNQKPADUSBA-GFCCVEGCSA-N 2 0 283.372 -0.246 20 0 CBADRP NS(=O)(=O)C[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC001262194999 826657362 /nfs/dbraw/zinc/65/73/62/826657362.db2.gz KUEFJQOLYPJUBE-QWRGUYRKSA-N 2 0 261.391 -0.404 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1CC(=O)N1CC[NH2+]CC1 ZINC001262195249 826657386 /nfs/dbraw/zinc/65/73/86/826657386.db2.gz UYDJBIDTFCIQSL-WOPDTQHZSA-N 2 0 254.378 -0.511 20 0 CBADRP C[C@@H](CC(N)=O)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001262202672 826660682 /nfs/dbraw/zinc/66/06/82/826660682.db2.gz ZOQNMVUXNKLBSI-VHSXEESVSA-N 2 0 269.345 -0.475 20 0 CBADRP C[NH+]1CCN(CC[NH2+]C[C@H](O)C2(O)CCC2)CC1 ZINC001262559377 826708759 /nfs/dbraw/zinc/70/87/59/826708759.db2.gz KOICQOWOHPULQU-LBPRGKRZSA-N 2 0 257.378 -0.901 20 0 CBADRP C[N@H+]1CC=C(C[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC001262567106 826710271 /nfs/dbraw/zinc/71/02/71/826710271.db2.gz JBXDSSCZHTVRSP-UONOGXRCSA-N 2 0 270.373 -0.260 20 0 CBADRP CCC[NH2+]CCNC(=O)NCCN1CCC([NH3+])CC1 ZINC001262584359 826714018 /nfs/dbraw/zinc/71/40/18/826714018.db2.gz AOYMTBZOPHQNRZ-UHFFFAOYSA-N 2 0 271.409 -0.292 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC001262585341 826714030 /nfs/dbraw/zinc/71/40/30/826714030.db2.gz AHYUEDZFJRMHDM-GFCCVEGCSA-N 2 0 269.393 -0.539 20 0 CBADRP C[NH2+]CCOCCNC(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001262588886 826714884 /nfs/dbraw/zinc/71/48/84/826714884.db2.gz QYAJWWSHHPORIC-UHFFFAOYSA-N 2 0 270.377 -0.209 20 0 CBADRP CC[NH+](CC)CCCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001263092527 826735620 /nfs/dbraw/zinc/73/56/20/826735620.db2.gz WRUVZIBNVOZKJC-YPMHNXCESA-N 2 0 257.378 -0.053 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])CO)c1cccc(F)c1 ZINC001263092803 826735735 /nfs/dbraw/zinc/73/57/35/826735735.db2.gz FVZYHRLRNSSZAZ-NEPJUHHUSA-N 2 0 269.320 -0.136 20 0 CBADRP C[C@@H](CNC(=O)C[C@@H](O)C[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC001263095469 826736753 /nfs/dbraw/zinc/73/67/53/826736753.db2.gz MXOWNSDSXQCPFK-GRYCIOLGSA-N 2 0 257.378 -0.067 20 0 CBADRP C[C@H](CNC(=O)C[C@H](O)C[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC001263095471 826736913 /nfs/dbraw/zinc/73/69/13/826736913.db2.gz MXOWNSDSXQCPFK-UTUOFQBUSA-N 2 0 257.378 -0.067 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001263099396 826737267 /nfs/dbraw/zinc/73/72/67/826737267.db2.gz JOKPDWDIVDAHHO-DZGCQCFKSA-N 2 0 299.415 -0.284 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001263102289 826738534 /nfs/dbraw/zinc/73/85/34/826738534.db2.gz QHVCUBZVESIZFK-AGIUHOORSA-N 2 0 269.389 -0.074 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N[C@H]2CCC[NH2+]CC2)C1=O ZINC001263106329 826739204 /nfs/dbraw/zinc/73/92/04/826739204.db2.gz SBYKAEJEAXSJHO-RYUDHWBXSA-N 2 0 282.388 -0.558 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001263108746 826739587 /nfs/dbraw/zinc/73/95/87/826739587.db2.gz GCZDTBQKECAAMN-YRGRVCCFSA-N 2 0 267.373 -0.299 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001263108743 826739663 /nfs/dbraw/zinc/73/96/63/826739663.db2.gz GCZDTBQKECAAMN-MBNYWOFBSA-N 2 0 267.373 -0.299 20 0 CBADRP C[NH+](C)CCCOC1CCN(C(=O)C[C@@H](O)C[NH3+])CC1 ZINC001263117551 826741935 /nfs/dbraw/zinc/74/19/35/826741935.db2.gz DMHOPACHDKTKGA-GFCCVEGCSA-N 2 0 287.404 -0.345 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001263148591 826744177 /nfs/dbraw/zinc/74/41/77/826744177.db2.gz HEHVMPLYRVKFFG-GXTWGEPZSA-N 2 0 285.388 -0.674 20 0 CBADRP C[C@@H](CC(=O)NCC1(O)C[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001263153415 826744667 /nfs/dbraw/zinc/74/46/67/826744667.db2.gz LWMNTIIEZJLTNX-WDEREUQCSA-N 2 0 255.362 -0.537 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC001263153715 826745090 /nfs/dbraw/zinc/74/50/90/826745090.db2.gz UOUGXBMLNUFPTK-ZDUSSCGKSA-N 2 0 268.405 -0.227 20 0 CBADRP [NH3+]C[C@H](O)CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC001263159332 826746138 /nfs/dbraw/zinc/74/61/38/826746138.db2.gz YEKBIXAYHZAZAE-JSGCOSHPSA-N 2 0 263.341 -0.647 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)NCC23CC(C2)C[NH2+]3)n1 ZINC001263161203 826746509 /nfs/dbraw/zinc/74/65/09/826746509.db2.gz YVVQJIZIWJKVAL-UHFFFAOYSA-N 2 0 263.345 -0.286 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001263165941 826747356 /nfs/dbraw/zinc/74/73/56/826747356.db2.gz PQWOHMAKYFWDGH-DCAQKATOSA-N 2 0 255.362 -0.396 20 0 CBADRP C[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)[NH+]1CCCCCC1 ZINC001263162826 826747419 /nfs/dbraw/zinc/74/74/19/826747419.db2.gz XUYYKCVTKAAYAP-TUAOUCFPSA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)N(C)CCOCC[NH3+])CCOCC1 ZINC001263167271 826747907 /nfs/dbraw/zinc/74/79/07/826747907.db2.gz FZDFEAPZAGJZFG-NSHDSACASA-N 2 0 273.377 -0.436 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC001263163972 826747740 /nfs/dbraw/zinc/74/77/40/826747740.db2.gz HEFGGJWVRQQHKG-ZPFDUUQYSA-N 2 0 255.362 -0.457 20 0 CBADRP CC(C)CC[C@@H]([NH3+])C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001263174076 826749651 /nfs/dbraw/zinc/74/96/51/826749651.db2.gz QIWUNZWSHPCVLT-ZWNOBZJWSA-N 2 0 268.361 -0.255 20 0 CBADRP CC(C)([NH3+])CCNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001263182421 826750043 /nfs/dbraw/zinc/75/00/43/826750043.db2.gz PCBQNUACBKLZSD-VIFPVBQESA-N 2 0 268.361 -0.950 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1)C2 ZINC001263179269 826750250 /nfs/dbraw/zinc/75/02/50/826750250.db2.gz JGWZERGGFCMSBB-XKAARJIMSA-N 2 0 253.346 -0.833 20 0 CBADRP CC[C@H](C(=O)N1CC[NH2+]C[C@H]1CO)[NH+](CC)CC ZINC001263179986 826750461 /nfs/dbraw/zinc/75/04/61/826750461.db2.gz BHZIRFUEPWWBRC-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)C[C@H]1CC[NH3+] ZINC001263189371 826751299 /nfs/dbraw/zinc/75/12/99/826751299.db2.gz TXFLJPGTPBICPC-OPRDCNLKSA-N 2 0 254.334 -0.467 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001263205826 826752961 /nfs/dbraw/zinc/75/29/61/826752961.db2.gz JTKXIUKKBQTWKB-HKUMRIAESA-N 2 0 269.389 -0.149 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCNCC[NH2+]CC1 ZINC001263210340 826753844 /nfs/dbraw/zinc/75/38/44/826753844.db2.gz IMNGMYMALBDNEX-UHFFFAOYSA-N 2 0 298.431 -0.634 20 0 CBADRP CN(C(=O)CCC1C[NH2+]C1)C1(C[NH3+])CCOCC1 ZINC001263238866 826757158 /nfs/dbraw/zinc/75/71/58/826757158.db2.gz VXFUVLHJQUYXBK-UHFFFAOYSA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)CNCC[NH3+])C[C@@H]2C1 ZINC001263265929 826760076 /nfs/dbraw/zinc/76/00/76/826760076.db2.gz YCUDGGSMYAGJIN-FRRDWIJNSA-N 2 0 268.405 -0.277 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)CNC(=O)C[NH3+] ZINC001263258231 826760252 /nfs/dbraw/zinc/76/02/52/826760252.db2.gz OVOLQJJXJGBQFV-UHFFFAOYSA-N 2 0 258.366 -0.893 20 0 CBADRP C[N@@H+]1CCCC[C@H]1CNC(=O)C1(C[NH3+])CC(O)C1 ZINC001263274778 826761666 /nfs/dbraw/zinc/76/16/66/826761666.db2.gz LAHILPYXYZRFSR-ZBOXLXRLSA-N 2 0 255.362 -0.313 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001263298680 826762997 /nfs/dbraw/zinc/76/29/97/826762997.db2.gz FBELJVJZRYUTMY-RHYPGRNTSA-N 2 0 255.362 -0.411 20 0 CBADRP [NH3+]CC1(C(=O)NC[C@@H]2CCC[NH2+]CC2)CC(O)C1 ZINC001263323013 826764168 /nfs/dbraw/zinc/76/41/68/826764168.db2.gz CXTJKUAFNCCUBU-XSRFYTQQSA-N 2 0 255.362 -0.408 20 0 CBADRP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)C1(C[NH+](C)C)CC1 ZINC001263810399 826780225 /nfs/dbraw/zinc/78/02/25/826780225.db2.gz WWCFWIJBKKNKAS-LBPRGKRZSA-N 2 0 269.389 -0.147 20 0 CBADRP CN(C[C@@H]1CC[N@@H+]1CCOCCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001263821502 826780276 /nfs/dbraw/zinc/78/02/76/826780276.db2.gz UAQWOGSROHHREA-KGLIPLIRSA-N 2 0 299.415 -0.520 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC(N)=O ZINC001264986301 826832122 /nfs/dbraw/zinc/83/21/22/826832122.db2.gz GGPKNQRVRZLROF-LBPRGKRZSA-N 2 0 284.404 -0.217 20 0 CBADRP CCN(C)C(=O)C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001265021271 826835823 /nfs/dbraw/zinc/83/58/23/826835823.db2.gz KFAIUPMNZJNDRA-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CN1CC[C@H]([N@H+](C)CCCNC(=O)C[NH+]2CCCC2)C1=O ZINC001265068220 826842647 /nfs/dbraw/zinc/84/26/47/826842647.db2.gz BDQMCJQVQYROEO-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCO)C1CC1 ZINC001265350755 826884515 /nfs/dbraw/zinc/88/45/15/826884515.db2.gz XCQKCPXNNGHJLS-VXGBXAGGSA-N 2 0 255.362 -0.443 20 0 CBADRP C[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCOCCO)C2)CC1 ZINC001265444327 826892228 /nfs/dbraw/zinc/89/22/28/826892228.db2.gz RCXKAZGKOMBCBP-AWEZNQCLSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001265445101 826894021 /nfs/dbraw/zinc/89/40/21/826894021.db2.gz GEOXVOGNBDBABJ-UWVGGRQHSA-N 2 0 256.350 -0.998 20 0 CBADRP C[NH+]1CCC(OCC(=O)N2CC[C@H]([NH2+]CCCO)C2)CC1 ZINC001265450961 826895098 /nfs/dbraw/zinc/89/50/98/826895098.db2.gz AGVSNDMDFGEQKR-ZDUSSCGKSA-N 2 0 299.415 -0.330 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265531548 826901656 /nfs/dbraw/zinc/90/16/56/826901656.db2.gz NCXFPFGYIPCZDM-OUAUKWLOSA-N 2 0 268.361 -0.937 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCOCCO ZINC001265790660 826919356 /nfs/dbraw/zinc/91/93/56/826919356.db2.gz QERYOEPHVCIKEQ-OLZOCXBDSA-N 2 0 287.404 -0.426 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)CCC[NH+](C)C ZINC001265816562 826922853 /nfs/dbraw/zinc/92/28/53/826922853.db2.gz XWSHXGYBWZYTJN-SNVBAGLBSA-N 2 0 258.366 -0.832 20 0 CBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H](C)C(N)=O ZINC001265851626 826929222 /nfs/dbraw/zinc/92/92/22/826929222.db2.gz QCHMKRIXBLNSLG-ZJUUUORDSA-N 2 0 268.361 -0.950 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC001265852564 826930132 /nfs/dbraw/zinc/93/01/32/826930132.db2.gz FVYHGDLXTFBUIH-UWVGGRQHSA-N 2 0 258.366 -0.704 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CCO ZINC001265870116 826932603 /nfs/dbraw/zinc/93/26/03/826932603.db2.gz JCLAAQVFEPVKSH-LBPRGKRZSA-N 2 0 257.378 -0.051 20 0 CBADRP C[C@@H](O)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001266326681 826985210 /nfs/dbraw/zinc/98/52/10/826985210.db2.gz HGJURABSTFNHMI-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CCO)C1CC1 ZINC001266414514 826996572 /nfs/dbraw/zinc/99/65/72/826996572.db2.gz DIXKWKUNISJCEQ-OLZOCXBDSA-N 2 0 269.389 -0.053 20 0 CBADRP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C[C@H](C)O ZINC001266427889 826998673 /nfs/dbraw/zinc/99/86/73/826998673.db2.gz DTVVEMIXNJZUGE-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266533391 827018174 /nfs/dbraw/zinc/01/81/74/827018174.db2.gz IXBZURNYFLLJNC-NEPJUHHUSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1)C(N)=O ZINC001266561740 827021823 /nfs/dbraw/zinc/02/18/23/827021823.db2.gz DQEQQSCRQBZGQL-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H](O)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001266584776 827027981 /nfs/dbraw/zinc/02/79/81/827027981.db2.gz MEOLTWDPJOKXME-XDQVBPFNSA-N 2 0 299.415 -0.285 20 0 CBADRP CN(CC[NH2+]CC(=O)N1CCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001266660962 827042120 /nfs/dbraw/zinc/04/21/20/827042120.db2.gz YBTZIVYRKJXDPB-LBPRGKRZSA-N 2 0 282.388 -0.639 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]CCCO)C2)CC1 ZINC001266708233 827055921 /nfs/dbraw/zinc/05/59/21/827055921.db2.gz PTZACHFFGIMWFC-TXEJJXNPSA-N 2 0 269.389 -0.053 20 0 CBADRP COC[C@H](O)C[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001266759888 827063059 /nfs/dbraw/zinc/06/30/59/827063059.db2.gz LOYAIKQTGXARBY-CYBMUJFWSA-N 2 0 299.415 -0.330 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001266803923 827068941 /nfs/dbraw/zinc/06/89/41/827068941.db2.gz WXSRHLLAMICGJB-GFCCVEGCSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCOCCO ZINC001266939817 827093806 /nfs/dbraw/zinc/09/38/06/827093806.db2.gz OVJMCSLNQCBPCJ-TZMCWYRMSA-N 2 0 299.415 -0.569 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCOCCO ZINC001266939816 827093880 /nfs/dbraw/zinc/09/38/80/827093880.db2.gz OVJMCSLNQCBPCJ-OCCSQVGLSA-N 2 0 299.415 -0.569 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]CC(=O)NC ZINC001266952543 827096877 /nfs/dbraw/zinc/09/68/77/827096877.db2.gz SCLZWPCRMNXWPK-UHFFFAOYSA-N 2 0 258.366 -0.878 20 0 CBADRP C[C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CCCO ZINC001266993320 827104156 /nfs/dbraw/zinc/10/41/56/827104156.db2.gz JVZANOOOVMVGQN-STQMWFEESA-N 2 0 287.404 -0.569 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)[NH2+]CCCO ZINC001266993318 827104165 /nfs/dbraw/zinc/10/41/65/827104165.db2.gz JVZANOOOVMVGQN-OLZOCXBDSA-N 2 0 287.404 -0.569 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001267004622 827106668 /nfs/dbraw/zinc/10/66/68/827106668.db2.gz FZWXDHVILDZFBW-SNVBAGLBSA-N 2 0 258.366 -0.750 20 0 CBADRP CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267072240 827112769 /nfs/dbraw/zinc/11/27/69/827112769.db2.gz WLTZFZWZOWTUJP-NSHDSACASA-N 2 0 270.377 -0.878 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CCO ZINC001267282962 827142476 /nfs/dbraw/zinc/14/24/76/827142476.db2.gz ZESBKFBIHIEPNE-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP COC[C@@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267373758 827161453 /nfs/dbraw/zinc/16/14/53/827161453.db2.gz LSCQCTFABYDSKT-UONOGXRCSA-N 2 0 299.415 -0.617 20 0 CBADRP CNC(=O)C[NH2+]CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001267390002 827163467 /nfs/dbraw/zinc/16/34/67/827163467.db2.gz IUNRQKJBDBLPSO-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP CN(CC[NH2+]CC(N)=O)C(=O)C12CCC[NH+]1CCC2 ZINC001267397930 827164483 /nfs/dbraw/zinc/16/44/83/827164483.db2.gz RKQPVIAENUOTFB-UHFFFAOYSA-N 2 0 268.361 -0.852 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCN(C)C(=O)Cn1ccnc1C ZINC001267469417 827175648 /nfs/dbraw/zinc/17/56/48/827175648.db2.gz LBZQTIPQKIIURR-UHFFFAOYSA-N 2 0 295.387 -0.282 20 0 CBADRP CCN1CCO[C@H](C(=O)N(C)CC[NH2+]C[C@@H](C)O)C1 ZINC001267471974 827175940 /nfs/dbraw/zinc/17/59/40/827175940.db2.gz YPBSWITUVCNANI-NEPJUHHUSA-N 2 0 273.377 -0.864 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCCO)C1 ZINC001267732643 827209290 /nfs/dbraw/zinc/20/92/90/827209290.db2.gz YAMXAZBUBCVMCD-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CCO)C1 ZINC001267779059 827219096 /nfs/dbraw/zinc/21/90/96/827219096.db2.gz MRVBTQOGBPDJIT-LBPRGKRZSA-N 2 0 257.378 -0.148 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](CCOCCO)C2)C1 ZINC001268151207 827258563 /nfs/dbraw/zinc/25/85/63/827258563.db2.gz PFNZFYGDFORMMB-ZIAGYGMSSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001268215585 827261416 /nfs/dbraw/zinc/26/14/16/827261416.db2.gz QDYCCKNUDPXTJT-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP CCC[NH2+]C[C@H](O)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268321245 827298151 /nfs/dbraw/zinc/29/81/51/827298151.db2.gz LYHCWKHVKSAGTA-NEPJUHHUSA-N 2 0 257.378 -0.195 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]CCC(F)(F)F ZINC001268320183 827298172 /nfs/dbraw/zinc/29/81/72/827298172.db2.gz BDBYIOYRLLGWNM-SECBINFHSA-N 2 0 285.310 -0.043 20 0 CBADRP CCC[NH2+]C[C@H](O)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001268331395 827306926 /nfs/dbraw/zinc/30/69/26/827306926.db2.gz INMQJRFFVQRJLX-JSGCOSHPSA-N 2 0 269.389 -0.051 20 0 CBADRP CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268422357 827325447 /nfs/dbraw/zinc/32/54/47/827325447.db2.gz AMAOZEWVSBPTPJ-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@H](C(=O)NC/C=C/C[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001268553425 827362164 /nfs/dbraw/zinc/36/21/64/827362164.db2.gz AGQAONGWLAVWFH-IEVRTODYSA-N 2 0 282.388 -0.523 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CCO ZINC001268557732 827365968 /nfs/dbraw/zinc/36/59/68/827365968.db2.gz XSUHTUQVZBDFSS-PCAWENJQSA-N 2 0 255.362 -0.275 20 0 CBADRP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001268572569 827366895 /nfs/dbraw/zinc/36/68/95/827366895.db2.gz BPUOUVINAMTKPB-JQSFKPKSSA-N 2 0 296.415 -0.181 20 0 CBADRP CN(C)C(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001268574009 827367874 /nfs/dbraw/zinc/36/78/74/827367874.db2.gz HZTTZLWCBRFOBF-ZYOFXKKJSA-N 2 0 282.388 -0.569 20 0 CBADRP CC(C)(C(=O)NC/C=C\C[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001268574862 827369411 /nfs/dbraw/zinc/36/94/11/827369411.db2.gz WKAAQVJXNPVKPY-ARJAWSKDSA-N 2 0 282.388 -0.392 20 0 CBADRP C[C@H]([NH2+]C/C=C/CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001268581739 827371156 /nfs/dbraw/zinc/37/11/56/827371156.db2.gz JZUUBVFVYUHRBN-ZWNMCFTASA-N 2 0 282.388 -0.536 20 0 CBADRP CC(C)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268628212 827382450 /nfs/dbraw/zinc/38/24/50/827382450.db2.gz ZQYOZJIMMIQQEH-IHVVCDCBSA-N 2 0 296.415 -0.275 20 0 CBADRP C[C@H](O)C[NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001268625760 827383161 /nfs/dbraw/zinc/38/31/61/827383161.db2.gz SIFMDNFVTUYZHH-JDGPPOGSSA-N 2 0 255.362 -0.275 20 0 CBADRP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]CC(=O)N1CCC1 ZINC001268625628 827383516 /nfs/dbraw/zinc/38/35/16/827383516.db2.gz RJSLFSMOBDLUEE-OWOJBTEDSA-N 2 0 294.399 -0.424 20 0 CBADRP C[C@@H]([NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001268916167 827439009 /nfs/dbraw/zinc/43/90/09/827439009.db2.gz ZRRKYFYADBHHAZ-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCO)C1CC1 ZINC001269051230 827456774 /nfs/dbraw/zinc/45/67/74/827456774.db2.gz PKTFBBQSGKHXMS-OLZOCXBDSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCOCCO)C2)CC1 ZINC001269061554 827459478 /nfs/dbraw/zinc/45/94/78/827459478.db2.gz LMGNXWAIFKSKSR-AWEZNQCLSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@H](O)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001269489298 827514341 /nfs/dbraw/zinc/51/43/41/827514341.db2.gz MFHZGDZFDQGEFF-NEPJUHHUSA-N 2 0 269.389 -0.053 20 0 CBADRP CN1CCN(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001270701873 827589998 /nfs/dbraw/zinc/58/99/98/827589998.db2.gz AAHCXEUBXSCMJT-BETUJISGSA-N 2 0 266.389 -0.461 20 0 CBADRP CC[N@H+](C)CC(=O)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001271083673 827619964 /nfs/dbraw/zinc/61/99/64/827619964.db2.gz FSUQHUNEQJJVBY-KGLIPLIRSA-N 2 0 298.431 -0.589 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)CC[NH+](C)C ZINC001271090647 827620723 /nfs/dbraw/zinc/62/07/23/827620723.db2.gz BIZXGRAVKCNKDL-UWVGGRQHSA-N 2 0 258.366 -0.752 20 0 CBADRP C[C@@H](C[NH2+]CCO)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001271172135 827672504 /nfs/dbraw/zinc/67/25/04/827672504.db2.gz WZFAZVGVVZXJFI-RYUDHWBXSA-N 2 0 257.378 -0.243 20 0 CBADRP CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001271221655 827678304 /nfs/dbraw/zinc/67/83/04/827678304.db2.gz YVTHBCQHAHQEJC-TZMCWYRMSA-N 2 0 269.389 -0.099 20 0 CBADRP CCOCC[N@H+](C)CCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001271984871 827746190 /nfs/dbraw/zinc/74/61/90/827746190.db2.gz WWXLVRXOOGQVSU-CYBMUJFWSA-N 2 0 287.404 -0.256 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]C[C@@H]1CCOC1 ZINC001272224220 827771325 /nfs/dbraw/zinc/77/13/25/827771325.db2.gz BCPDVAXUSWHRQP-UONOGXRCSA-N 2 0 299.415 -0.472 20 0 CBADRP C[NH+]1CCC(C(=O)N(CCO)CC[NH2+]CCF)CC1 ZINC001272252904 827774390 /nfs/dbraw/zinc/77/43/90/827774390.db2.gz WWTIULIHGYJKEQ-UHFFFAOYSA-N 2 0 275.368 -0.292 20 0 CBADRP CCOCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001272380472 827788465 /nfs/dbraw/zinc/78/84/65/827788465.db2.gz NCGXCSGVGQIPGS-NWDGAFQWSA-N 2 0 273.377 -0.816 20 0 CBADRP CNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001272544395 827817488 /nfs/dbraw/zinc/81/74/88/827817488.db2.gz ITEBDQKRJGXBNV-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCCC2(C[NH+](C)C2)C1 ZINC001272555677 827819835 /nfs/dbraw/zinc/81/98/35/827819835.db2.gz QBFGJWTXKYRZGM-CYBMUJFWSA-N 2 0 280.416 -0.214 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC001272556214 827821091 /nfs/dbraw/zinc/82/10/91/827821091.db2.gz YSYUVTOOKWEMJA-XQQFMLRXSA-N 2 0 266.389 -0.605 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCF ZINC001272582929 827823581 /nfs/dbraw/zinc/82/35/81/827823581.db2.gz DFXZIXKUVRUAJN-VXGBXAGGSA-N 2 0 275.368 -0.103 20 0 CBADRP C[C@@H](CC[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001272689157 827833745 /nfs/dbraw/zinc/83/37/45/827833745.db2.gz YCFIXOLRRNDOCH-QWRGUYRKSA-N 2 0 295.391 -0.711 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC(N)=O)[NH+](C)C ZINC001272865719 827847212 /nfs/dbraw/zinc/84/72/12/827847212.db2.gz MZOCMHOQAVEGOS-VHSXEESVSA-N 2 0 258.366 -0.704 20 0 CBADRP CN1C(=O)COCC12C[NH+](CC1CC[NH+](C)CC1)C2 ZINC001272889521 827848464 /nfs/dbraw/zinc/84/84/64/827848464.db2.gz NSSSVUNKQATVFD-UHFFFAOYSA-N 2 0 267.373 -0.129 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]CC(=O)NC)[NH+](C)C ZINC001273123750 827866833 /nfs/dbraw/zinc/86/68/33/827866833.db2.gz YXULDDJXSUMWMT-MNOVXSKESA-N 2 0 272.393 -0.443 20 0 CBADRP CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001273122994 827867601 /nfs/dbraw/zinc/86/76/01/827867601.db2.gz LVDWGSIJGJGUFS-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001273175969 827871138 /nfs/dbraw/zinc/87/11/38/827871138.db2.gz NLJXVRCDOCCIJG-MNOVXSKESA-N 2 0 270.377 -0.832 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CCF)C1 ZINC001273300580 827886851 /nfs/dbraw/zinc/88/68/51/827886851.db2.gz LTNZUKMSXBSREZ-VXGBXAGGSA-N 2 0 273.352 -0.133 20 0 CBADRP C[NH+](C)CCCCC(=O)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001273341794 827891344 /nfs/dbraw/zinc/89/13/44/827891344.db2.gz FFTSFHQWCNOEIZ-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP CCN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001273374187 827895890 /nfs/dbraw/zinc/89/58/90/827895890.db2.gz HEMQGXZXCJHUCA-GFCCVEGCSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001274047322 827955879 /nfs/dbraw/zinc/95/58/79/827955879.db2.gz OBXIGXXZAVSUOD-OCCSQVGLSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001274047836 827956107 /nfs/dbraw/zinc/95/61/07/827956107.db2.gz UFBDSKQIIHGNCU-YNEHKIRRSA-N 2 0 269.389 -0.006 20 0 CBADRP C[C@@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001274262825 827978413 /nfs/dbraw/zinc/97/84/13/827978413.db2.gz IQVZDDNPBFUQSR-ANDSXOESSA-N 2 0 268.361 -0.784 20 0 CBADRP CC[C@@H](C(=O)NC/C=C\C[NH2+][C@H](C)C(=O)NC)[NH+](C)C ZINC001274367686 827985460 /nfs/dbraw/zinc/98/54/60/827985460.db2.gz DTEOXWFJALYGEL-WZIXFXTNSA-N 2 0 284.404 -0.277 20 0 CBADRP CC[C@@H](C(=O)NC/C=C\C[NH2+][C@H]1CCCNC1=O)[NH+](C)C ZINC001274367548 827985523 /nfs/dbraw/zinc/98/55/23/827985523.db2.gz CEJXWFFBRGWXAO-IBPBTGAJSA-N 2 0 296.415 -0.133 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001274518448 827996539 /nfs/dbraw/zinc/99/65/39/827996539.db2.gz GVIPRERZVCGRSQ-YHQHFJRFSA-N 2 0 298.431 -0.031 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]CCCO)C1 ZINC001274579170 828003618 /nfs/dbraw/zinc/00/36/18/828003618.db2.gz RIUITQDCPPVVOR-DLGQBQFBSA-N 2 0 255.362 -0.418 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)C[N@H+](C)C(C)C ZINC001274608134 828009715 /nfs/dbraw/zinc/00/97/15/828009715.db2.gz DMVIIVGYOHMOQS-SYTKJHMZSA-N 2 0 284.404 -0.277 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN1CC[C@@]2(C1)CN(C)C(=O)CO2 ZINC001274655474 828017388 /nfs/dbraw/zinc/01/73/88/828017388.db2.gz KXVKGLWYKRJMFP-ZFWWWQNUSA-N 2 0 299.415 -0.378 20 0 CBADRP C[C@H](C[NH2+]CCNC(=O)C1CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001274883093 828036764 /nfs/dbraw/zinc/03/67/64/828036764.db2.gz DFOSGZHUWZSWIY-DGCLKSJQSA-N 2 0 296.415 -0.299 20 0 CBADRP COCCC[N@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001274939572 828044330 /nfs/dbraw/zinc/04/43/30/828044330.db2.gz NSVYKNDIYGLVKF-OKILXGFUSA-N 2 0 271.405 -0.031 20 0 CBADRP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C)CC3)[C@@H]2C1 ZINC001275044953 828051791 /nfs/dbraw/zinc/05/17/91/828051791.db2.gz IMIFYDAKVMRJFX-CHWSQXEVSA-N 2 0 297.399 -0.251 20 0 CBADRP C[C@H](C[N@H+](C)CCO)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001275623680 828104630 /nfs/dbraw/zinc/10/46/30/828104630.db2.gz YJXOXWWNIVMGDA-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](CCN3CCOCC3)[C@@H]2C1 ZINC001275990711 828128270 /nfs/dbraw/zinc/12/82/70/828128270.db2.gz WQDBMGYCMGZVOQ-JKSUJKDBSA-N 2 0 296.459 -0.114 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CCOCCO ZINC001276002260 828129032 /nfs/dbraw/zinc/12/90/32/828129032.db2.gz JSINLDVKZHCKTK-STQMWFEESA-N 2 0 287.404 -0.617 20 0 CBADRP CN(CCC[NH2+]Cc1nnnn1C)C(=O)C[NH+]1CCCC1 ZINC001276387143 828144153 /nfs/dbraw/zinc/14/41/53/828144153.db2.gz XKPOSGSUQQWDJO-UHFFFAOYSA-N 2 0 295.391 -0.756 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CCC2(CN(CC[NH+](C)C)C2)C1 ZINC001276463280 828146794 /nfs/dbraw/zinc/14/67/94/828146794.db2.gz IJCLZTQAAUDACZ-UHFFFAOYSA-N 2 0 268.405 -0.356 20 0 CBADRP C[NH+](C)CCN1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001276463610 828146917 /nfs/dbraw/zinc/14/69/17/828146917.db2.gz WDWGHQIVCUVSEX-KBPBESRZSA-N 2 0 270.421 -0.505 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CCO)C1)[NH+](C)C ZINC001276454221 828146962 /nfs/dbraw/zinc/14/69/62/828146962.db2.gz UEYUVQSLCAYSMD-CMPLNLGQSA-N 2 0 257.378 -0.245 20 0 CBADRP O=C(N[C@@H](C[NH2+]CCO)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001276588504 828151628 /nfs/dbraw/zinc/15/16/28/828151628.db2.gz IKTUGZAHUGKBEI-KGLIPLIRSA-N 2 0 281.400 -0.195 20 0 CBADRP O=C(N[C@H](C[NH2+]CCO)C1CC1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001276602602 828151707 /nfs/dbraw/zinc/15/17/07/828151707.db2.gz BFZIIRINECIURS-IJLUTSLNSA-N 2 0 278.356 -0.010 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1C[C@@H](C)O ZINC001276956894 828168577 /nfs/dbraw/zinc/16/85/77/828168577.db2.gz PKCHPWVJEKTFMK-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)[N@H+]2CC1CC[NH2+]CC1 ZINC001276713712 828156881 /nfs/dbraw/zinc/15/68/81/828156881.db2.gz KNWJPOCYBDSPBW-OKILXGFUSA-N 2 0 280.416 -0.167 20 0 CBADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001276714520 828156904 /nfs/dbraw/zinc/15/69/04/828156904.db2.gz ZVWJZLDYOMYFHV-HOTGVXAUSA-N 3 0 296.459 -0.067 20 0 CBADRP CC[C@H](C(=O)NCC1([NH2+]CC(N)=O)CC1)[NH+](C)C ZINC001277093869 828175174 /nfs/dbraw/zinc/17/51/74/828175174.db2.gz CPLGULRSRAAHGD-SECBINFHSA-N 2 0 256.350 -0.950 20 0 CBADRP C[NH+](C)CCN1CCC2(C[NH+](C[C@H]3COCCO3)C2)C1 ZINC001277526625 828193261 /nfs/dbraw/zinc/19/32/61/828193261.db2.gz JCFAYCFCJKLQPH-AWEZNQCLSA-N 2 0 283.416 -0.029 20 0 CBADRP CNC(=O)C[NH+]1CCC2(CC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001278011590 828229919 /nfs/dbraw/zinc/22/99/19/828229919.db2.gz WEUTWTCSJGDVIU-UHFFFAOYSA-N 2 0 296.415 -0.392 20 0 CBADRP CNC(=O)C[N@H+]1C[C@@H]2CC[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001278011512 828230595 /nfs/dbraw/zinc/23/05/95/828230595.db2.gz UDYOZZVAQBRSQT-BETUJISGSA-N 2 0 296.415 -0.536 20 0 CBADRP CN1CCO[C@H]2C[N@H+](CCCN3CC[NH+](C)CC3)C[C@H]21 ZINC001278116779 828249375 /nfs/dbraw/zinc/24/93/75/828249375.db2.gz HGUJAQJWAWSACU-CABCVRRESA-N 2 0 282.432 -0.361 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CCOCCO)CN1C(=O)C[NH+]1CCCC1 ZINC001278423194 828269661 /nfs/dbraw/zinc/26/96/61/828269661.db2.gz IHFPULJVUJPKHF-ZIAGYGMSSA-N 2 0 299.415 -0.330 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCO)C1 ZINC001278468983 828271332 /nfs/dbraw/zinc/27/13/32/828271332.db2.gz GGEPKHHMUOGHRG-JSGCOSHPSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CCO ZINC001278520904 828272675 /nfs/dbraw/zinc/27/26/75/828272675.db2.gz KDHURKOMLAVZHO-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP CN(C[C@H](O)C[NH2+]CCCF)C(=O)[C@H]1CCC[N@@H+]1C ZINC001278791701 828289023 /nfs/dbraw/zinc/28/90/23/828289023.db2.gz OKRXSTJCHMGTBE-VXGBXAGGSA-N 2 0 275.368 -0.151 20 0 CBADRP CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001278823349 828293359 /nfs/dbraw/zinc/29/33/59/828293359.db2.gz YMJOEWIJJLWECC-YPMHNXCESA-N 2 0 255.362 -0.489 20 0 CBADRP CC[C@H](C(=O)NCCNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001348648035 890671395 /nfs/dbraw/zinc/67/13/95/890671395.db2.gz NWURDEVOPUNGMF-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC2(CCNC2=O)CC1 ZINC001348814160 890703733 /nfs/dbraw/zinc/70/37/33/890703733.db2.gz CVYGMJBFWCCMBH-GFCCVEGCSA-N 2 0 255.362 -0.441 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001349317464 890792431 /nfs/dbraw/zinc/79/24/31/890792431.db2.gz CEDBIKIVEOKYIF-VHSXEESVSA-N 2 0 266.345 -0.747 20 0 CBADRP C[C@@H](NC(C[NH3+])C[NH3+])C(=O)NCc1ccccc1 ZINC001350910967 891067237 /nfs/dbraw/zinc/06/72/37/891067237.db2.gz TXKBCTCYQCPJGQ-SNVBAGLBSA-N 2 0 250.346 -0.433 20 0 CBADRP C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176564087 884704087 /nfs/dbraw/zinc/70/40/87/884704087.db2.gz LCWOURBHWRVETD-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201678840 884746429 /nfs/dbraw/zinc/74/64/29/884746429.db2.gz QJMFAWKXNFCWIV-ZDUSSCGKSA-N 2 0 287.404 -0.472 20 0 CBADRP C[NH+](C)CCNC(=S)N(CC[NH+](C)C)CC[NH+](C)C ZINC001249833879 884797905 /nfs/dbraw/zinc/79/79/05/884797905.db2.gz LNIYEXCMZIROCQ-UHFFFAOYSA-N 3 0 289.493 -0.152 20 0 CBADRP CN(C(=O)c1cn(CCCC[NH3+])nn1)[C@H](C[NH3+])C1CC1 ZINC001326129388 884915145 /nfs/dbraw/zinc/91/51/45/884915145.db2.gz SZTFDIQKDQFWLB-GFCCVEGCSA-N 2 0 280.376 -0.174 20 0 CBADRP C[C@@H](NC(=O)c1cn(CCCC[NH3+])nn1)[C@H](C)[NH3+] ZINC001326149195 884925317 /nfs/dbraw/zinc/92/53/17/884925317.db2.gz FPQUJTMSBHMAEK-DTWKUNHWSA-N 2 0 254.338 -0.518 20 0 CBADRP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CC[NH2+]CC1 ZINC001326270363 884963856 /nfs/dbraw/zinc/96/38/56/884963856.db2.gz MQITXALBYFKYQM-JTQLQIEISA-N 2 0 264.333 -0.752 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N2CCC[C@@H]([NH3+])C2)nn1 ZINC001326292382 884973232 /nfs/dbraw/zinc/97/32/32/884973232.db2.gz JLNIJAACYCJXHS-SECBINFHSA-N 2 0 252.322 -0.810 20 0 CBADRP C[C@@H](Cn1cccn1)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC001326311231 884985605 /nfs/dbraw/zinc/98/56/05/884985605.db2.gz RQZYPMZZXYRBMP-NSHDSACASA-N 2 0 251.334 -0.707 20 0 CBADRP COCC[NH2+]C1CCN(CC(=O)N2CC[NH2+]CC2)CC1 ZINC001326488114 885044839 /nfs/dbraw/zinc/04/48/39/885044839.db2.gz PYPJNXDMWUGEIY-UHFFFAOYSA-N 2 0 284.404 -0.881 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC001326409499 885021689 /nfs/dbraw/zinc/02/16/89/885021689.db2.gz YXGAJOZSUPXZTE-TUAOUCFPSA-N 2 0 255.362 -0.036 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NC[C@@H]2CCC[NH2+]2)nn1 ZINC001326783594 885143674 /nfs/dbraw/zinc/14/36/74/885143674.db2.gz IKKYKTVXXOAPAJ-VIFPVBQESA-N 2 0 252.322 -0.891 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)c1cn(CCCC[NH3+])nn1 ZINC001327074200 885243918 /nfs/dbraw/zinc/24/39/18/885243918.db2.gz WJJBCIMLSYJLGK-JTQLQIEISA-N 2 0 268.365 -0.255 20 0 CBADRP C[C@](C[NH3+])(NC(=O)c1cn(CC[NH3+])nn1)C1CC1 ZINC001327862140 885504803 /nfs/dbraw/zinc/50/48/03/885504803.db2.gz ACCNSHAKUBONCG-LLVKDONJSA-N 2 0 252.322 -0.906 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC001328437590 885687009 /nfs/dbraw/zinc/68/70/09/885687009.db2.gz PLDJUJNHVCTWJS-WHOHXGKFSA-N 2 0 255.362 -0.064 20 0 CBADRP O[C@@H]1CCC[C@H]1[NH+]1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC001328438523 885687299 /nfs/dbraw/zinc/68/72/99/885687299.db2.gz ZTUJOXHHXHTDGR-MGPQQGTHSA-N 2 0 269.389 -0.494 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CN[C@@H]2CCC[NH2+]CC2)n1 ZINC001329568383 886123102 /nfs/dbraw/zinc/12/31/02/886123102.db2.gz FKOUCAVPQKAEHE-SECBINFHSA-N 2 0 251.334 -0.127 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001329924366 886280429 /nfs/dbraw/zinc/28/04/29/886280429.db2.gz SNPCDNZTINCLOQ-INTQDDNPSA-N 2 0 251.334 -0.719 20 0 CBADRP CN1CC[NH+](C2CCN(C(=O)CCC[NH3+])CC2)CC1 ZINC001330034122 886330969 /nfs/dbraw/zinc/33/09/69/886330969.db2.gz HSCQZLICGBPLKN-UHFFFAOYSA-N 2 0 268.405 -0.036 20 0 CBADRP COC1(C(=O)N2CCC[C@H](C[NH3+])C2)CC[NH2+]CC1 ZINC001330596055 886495846 /nfs/dbraw/zinc/49/58/46/886495846.db2.gz QEJUGXYMMYJYJK-LLVKDONJSA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC001330595661 886491930 /nfs/dbraw/zinc/49/19/30/886491930.db2.gz CKKGORBAZJDZPC-AAEUAGOBSA-N 2 0 255.362 -0.036 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001330869774 886606946 /nfs/dbraw/zinc/60/69/46/886606946.db2.gz HEIGPNJNRGPUJM-NWDGAFQWSA-N 2 0 284.404 -0.219 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001331476081 886816545 /nfs/dbraw/zinc/81/65/45/886816545.db2.gz OJTAHLQZNQVYDM-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001331708675 886923926 /nfs/dbraw/zinc/92/39/26/886923926.db2.gz WLHHIFYNNIXHPW-XYZCENFISA-N 2 0 261.391 -0.802 20 0 CBADRP [NH3+]C1(CN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCOCC1 ZINC001331852839 887014507 /nfs/dbraw/zinc/01/45/07/887014507.db2.gz YKQWRNXVWAGSCP-STQMWFEESA-N 2 0 269.389 -0.149 20 0 CBADRP [NH3+]C1(CN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCOCC1 ZINC001331852834 887015265 /nfs/dbraw/zinc/01/52/65/887015265.db2.gz YKQWRNXVWAGSCP-QWHCGFSZSA-N 2 0 269.389 -0.149 20 0 CBADRP Cc1n[nH]cc1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001331963199 887063643 /nfs/dbraw/zinc/06/36/43/887063643.db2.gz TVRJAULREOHYTH-CYBMUJFWSA-N 2 0 267.377 -0.584 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CCCO1 ZINC001332188161 887145227 /nfs/dbraw/zinc/14/52/27/887145227.db2.gz FKUWBQZKPQULOO-XZUYRWCXSA-N 2 0 253.346 -0.310 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC001332287653 887183746 /nfs/dbraw/zinc/18/37/46/887183746.db2.gz MLRKJNSOKAUTKV-GARJFASQSA-N 2 0 282.388 -0.561 20 0 CBADRP [NH3+]C[C@@H]1CN(C[C@H]2CC3(C[NH2+]C3)CO2)CCCO1 ZINC001332334615 887207859 /nfs/dbraw/zinc/20/78/59/887207859.db2.gz NTSVUHKQHBPWLX-VXGBXAGGSA-N 2 0 255.362 -0.586 20 0 CBADRP C(N1CCN([C@H]2CC[NH2+]C2)CC1)C12CC(C1)C[NH2+]2 ZINC001332314024 887198946 /nfs/dbraw/zinc/19/89/46/887198946.db2.gz QNQHHCWWTBSWQH-MOKVOYLWSA-N 2 0 250.390 -0.282 20 0 CBADRP Cn1cncc1CN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC001332362194 887225330 /nfs/dbraw/zinc/22/53/30/887225330.db2.gz VKAMASYEMCRRJZ-VIFPVBQESA-N 2 0 251.290 -0.598 20 0 CBADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001332451938 887289974 /nfs/dbraw/zinc/28/99/74/887289974.db2.gz UKKPHHNBVUWOFQ-GRYCIOLGSA-N 2 0 255.362 -0.001 20 0 CBADRP O=S1(=O)CCNC[C@@H]1CC[NH2+]CC1CC[NH2+]CC1 ZINC001332473830 887307407 /nfs/dbraw/zinc/30/74/07/887307407.db2.gz SVFYRYDVWMSUAV-LBPRGKRZSA-N 2 0 275.418 -0.648 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC001332500673 887321798 /nfs/dbraw/zinc/32/17/98/887321798.db2.gz WWOVCKQPJOMEKF-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(C2CC2)CC1 ZINC001333178314 887552467 /nfs/dbraw/zinc/55/24/67/887552467.db2.gz KXAGKWNBDXXMPG-JTQLQIEISA-N 2 0 268.361 -0.854 20 0 CBADRP CC(C)NC(=O)CN1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001334774463 888320432 /nfs/dbraw/zinc/32/04/32/888320432.db2.gz IMWBDLDQPPBKMB-BETUJISGSA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@H]1C[N@H+](CC(=O)N2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC001335180448 888434315 /nfs/dbraw/zinc/43/43/15/888434315.db2.gz HCOVASJELDSHPF-RYUDHWBXSA-N 3 0 254.378 -0.665 20 0 CBADRP OCc1cn(CCC[NH2+]C[C@@H](O)C[NH+]2CCCC2)nn1 ZINC001335380249 888518705 /nfs/dbraw/zinc/51/87/05/888518705.db2.gz DHXOQZPYQDIYTH-CYBMUJFWSA-N 2 0 283.376 -0.793 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001335587992 888571880 /nfs/dbraw/zinc/57/18/80/888571880.db2.gz DXLUWRKHKGVRSV-GMTAPVOTSA-N 2 0 256.350 -0.776 20 0 CBADRP COC1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]CC1 ZINC001335742191 888618814 /nfs/dbraw/zinc/61/88/14/888618814.db2.gz ZCLGSJLAXUXHLU-PHIMTYICSA-N 2 0 253.346 -0.567 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001336660560 888837160 /nfs/dbraw/zinc/83/71/60/888837160.db2.gz ROLSDPGEUQPJBC-IXYVEGFRSA-N 2 0 255.362 -0.328 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001336689415 888845067 /nfs/dbraw/zinc/84/50/67/888845067.db2.gz OWNADCUCRHZEQB-LLVKDONJSA-N 2 0 255.362 -0.048 20 0 CBADRP CN(CCOCC[NH3+])C(=O)c1csc(CC[NH3+])n1 ZINC001336741761 888864352 /nfs/dbraw/zinc/86/43/52/888864352.db2.gz CEBPBWZZFKQGSW-UHFFFAOYSA-N 2 0 272.374 -0.308 20 0 CBADRP CCCNC(=O)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001336739420 888864368 /nfs/dbraw/zinc/86/43/68/888864368.db2.gz NAMMEBUGOHXVSI-CYBMUJFWSA-N 2 0 286.420 -0.899 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001336964174 888936141 /nfs/dbraw/zinc/93/61/41/888936141.db2.gz GEKRUQIICLNULS-SDDRHHMPSA-N 2 0 284.404 -0.219 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC001336920468 888923483 /nfs/dbraw/zinc/92/34/83/888923483.db2.gz DHQDDLSSPXDLEE-WCQYABFASA-N 2 0 270.377 -0.255 20 0 CBADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CO)[C@H](C)C1 ZINC001340092314 889383009 /nfs/dbraw/zinc/38/30/09/889383009.db2.gz AELYAQICDSRSEP-JHJVBQTASA-N 2 0 287.404 -0.441 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001340172617 889401743 /nfs/dbraw/zinc/40/17/43/889401743.db2.gz KPSWOMMJUBIOAV-AGIUHOORSA-N 2 0 269.389 -0.074 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001340184873 889406025 /nfs/dbraw/zinc/40/60/25/889406025.db2.gz QBQICPXQSCBENE-WISYIIOYSA-N 2 0 253.346 -0.663 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H](O)C[NH2+]1 ZINC001340189916 889406099 /nfs/dbraw/zinc/40/60/99/889406099.db2.gz GAOQOCCVZHOOEG-IRUJWGPZSA-N 2 0 253.346 -0.548 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC001340328263 889422458 /nfs/dbraw/zinc/42/24/58/889422458.db2.gz SCSWKRFRLZYLAY-DLOVCJGASA-N 2 0 257.378 -0.164 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001340527025 889442647 /nfs/dbraw/zinc/44/26/47/889442647.db2.gz OTKTYTUQDAJNQH-AXFHLTTASA-N 2 0 255.362 -0.003 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC001340789252 889487167 /nfs/dbraw/zinc/48/71/67/889487167.db2.gz ISXQVRLCQOSBJF-RYUDHWBXSA-N 2 0 257.378 -0.195 20 0 CBADRP [NH3+]Cc1cc(C(=O)N2CCC[C@H]([NH2+]CCO)C2)co1 ZINC001340724882 889473993 /nfs/dbraw/zinc/47/39/93/889473993.db2.gz BEPYZKXVINBFAD-NSHDSACASA-N 2 0 267.329 -0.075 20 0 CBADRP [NH3+]CC1(CC(=O)N2CCC[C@H]([NH2+]CCO)C2)CC1 ZINC001340864890 889501483 /nfs/dbraw/zinc/50/14/83/889501483.db2.gz FPJXUFNLDLQPFW-NSHDSACASA-N 2 0 255.362 -0.312 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC001340882141 889503959 /nfs/dbraw/zinc/50/39/59/889503959.db2.gz VXMDRQPFLGDKOP-RYUDHWBXSA-N 2 0 254.378 -0.652 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCN1CCC([NH3+])CC1 ZINC001341056642 889536626 /nfs/dbraw/zinc/53/66/26/889536626.db2.gz MQLIWQGRLJRHKD-UHFFFAOYSA-N 2 0 256.394 -0.134 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@H]2CC23CC[NH2+]CC3)C1 ZINC001341241224 889565452 /nfs/dbraw/zinc/56/54/52/889565452.db2.gz YZNVKKMLFIAMMU-BXUZGUMPSA-N 2 0 267.373 -0.312 20 0 CBADRP C[C@@]1(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C[C@H](O)C[NH2+]1 ZINC001341508816 889609769 /nfs/dbraw/zinc/60/97/69/889609769.db2.gz OUZVOCJFCOEEMV-ZPFDUUQYSA-N 2 0 255.362 -0.267 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001341526984 889614672 /nfs/dbraw/zinc/61/46/72/889614672.db2.gz SSQXFEYAWBRFCB-LBPRGKRZSA-N 2 0 254.334 -0.678 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001341619465 889634930 /nfs/dbraw/zinc/63/49/30/889634930.db2.gz MQGJJHNDYFKUFJ-AVGNSLFASA-N 2 0 267.373 -0.238 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])C[C@H]1CC[NH3+] ZINC001341662881 889642953 /nfs/dbraw/zinc/64/29/53/889642953.db2.gz DRCPEPBQWRLHQZ-WISYIIOYSA-N 2 0 255.362 -0.207 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001341675587 889645664 /nfs/dbraw/zinc/64/56/64/889645664.db2.gz LMKLCJWYPNTXCZ-ZPFDUUQYSA-N 2 0 255.362 -0.539 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001341672954 889646877 /nfs/dbraw/zinc/64/68/77/889646877.db2.gz RHJKBJAPNCQWLQ-NHCYSSNCSA-N 2 0 255.362 -0.444 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001341708150 889650909 /nfs/dbraw/zinc/65/09/09/889650909.db2.gz MGMLFLFWZYFEJN-UWVGGRQHSA-N 2 0 255.362 -0.051 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001341715279 889650933 /nfs/dbraw/zinc/65/09/33/889650933.db2.gz SXVLXFVYCLYXSE-AAEUAGOBSA-N 2 0 273.377 -0.816 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C2(C[NH3+])CC(O)C2)CC[N@@H+]1C ZINC001341701015 889651794 /nfs/dbraw/zinc/65/17/94/889651794.db2.gz MMKRRDAFOGHCOB-CFGSLIKFSA-N 2 0 255.362 -0.315 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)C[N@@H+]1C1CC1 ZINC001341731085 889655317 /nfs/dbraw/zinc/65/53/17/889655317.db2.gz BDIMJTUIASIKJW-IQOUGMIPSA-N 2 0 267.373 -0.159 20 0 CBADRP CC1CC[NH+](CC(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001341855591 889674569 /nfs/dbraw/zinc/67/45/69/889674569.db2.gz ZLQMZDYAMVIZNF-UHFFFAOYSA-N 2 0 268.405 -0.260 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001341861101 889676405 /nfs/dbraw/zinc/67/64/05/889676405.db2.gz ZORUPHLPPGYOCK-GXFFZTMASA-N 2 0 255.362 -0.456 20 0 CBADRP C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)[C@H]1C[N@H+](C)CCN1C ZINC001341940620 889687376 /nfs/dbraw/zinc/68/73/76/889687376.db2.gz OBQLAUZNPILTOB-IJLUTSLNSA-N 2 0 254.378 -0.511 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001342158335 889722203 /nfs/dbraw/zinc/72/22/03/889722203.db2.gz APXUFWLRVXHRGB-IJLUTSLNSA-N 2 0 282.388 -0.478 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001342256555 889740380 /nfs/dbraw/zinc/74/03/80/889740380.db2.gz RWIPHNDRQHXIEL-OLZOCXBDSA-N 2 0 265.357 -0.405 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)CCC12CC(C1)C[NH2+]2 ZINC001342295603 889750074 /nfs/dbraw/zinc/75/00/74/889750074.db2.gz MFOQJEFSVFHWHM-LXVYMNJGSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001342331257 889755026 /nfs/dbraw/zinc/75/50/26/889755026.db2.gz ITFRPBXDUYIIGU-WOPDTQHZSA-N 2 0 257.378 -0.067 20 0 CBADRP C[C@@H](NC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1)C1CC[NH2+]CC1 ZINC001342391766 889766865 /nfs/dbraw/zinc/76/68/65/889766865.db2.gz JSXMAAHADLBXKE-SUZMYJTESA-N 2 0 255.362 -0.396 20 0 CBADRP C[NH2+]CCCC(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001342525706 889790278 /nfs/dbraw/zinc/79/02/78/889790278.db2.gz YYHKRTLPDWKWSW-WDMOLILDSA-N 2 0 283.372 -0.275 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC001342567350 889791890 /nfs/dbraw/zinc/79/18/90/889791890.db2.gz ANTLHHSRMHKWFR-VWYCJHECSA-N 2 0 268.361 -0.937 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)C23CC(C2)C[NH2+]3)CC1 ZINC001342549638 889793457 /nfs/dbraw/zinc/79/34/57/889793457.db2.gz UZXZLRBOWASOII-UHFFFAOYSA-N 2 0 252.362 -0.722 20 0 CBADRP CN[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1C)c1cnn(C)c1 ZINC001342650821 889809695 /nfs/dbraw/zinc/80/96/95/889809695.db2.gz UYQFSTZYMLILOL-DLOVCJGASA-N 2 0 265.361 -0.111 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC001343038678 889859792 /nfs/dbraw/zinc/85/97/92/889859792.db2.gz RHIFSLVBECXDDJ-YFKTTZPYSA-N 2 0 257.378 -0.211 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC001343099834 889869348 /nfs/dbraw/zinc/86/93/48/889869348.db2.gz QCQJPFSCVFYHPR-WCQYABFASA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+][C@@H]1C[C@@H](NC(=O)C[C@H]2COCC[NH2+]2)C12CCC2 ZINC001343203416 889875732 /nfs/dbraw/zinc/87/57/32/889875732.db2.gz YCSQKXRHNDSSFS-HBNTYKKESA-N 2 0 253.346 -0.249 20 0 CBADRP [NH3+]CC1(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC(O)C1 ZINC001343423644 889906530 /nfs/dbraw/zinc/90/65/30/889906530.db2.gz MFOYJDMIEQJREK-DCBWTQNWSA-N 2 0 267.373 -0.313 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001343475089 889914843 /nfs/dbraw/zinc/91/48/43/889914843.db2.gz UHRWVKDBQNPSSV-TUAOUCFPSA-N 2 0 252.362 -0.757 20 0 CBADRP COCC1(CNC(=O)C23CC(C2)C[NH2+]3)CC[NH2+]CC1 ZINC001343489152 889922680 /nfs/dbraw/zinc/92/26/80/889922680.db2.gz WXXNIAVMYFUQER-UHFFFAOYSA-N 2 0 267.373 -0.129 20 0 CBADRP C[C@H](NC(=O)CC1(C[NH3+])CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001343582125 889935648 /nfs/dbraw/zinc/93/56/48/889935648.db2.gz ISRQLIKHBSDCGQ-RYUDHWBXSA-N 2 0 268.405 -0.134 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2C[C@H]([NH3+])C2)CC1=O ZINC001343697217 889951214 /nfs/dbraw/zinc/95/12/14/889951214.db2.gz HRKIQHQCPQNGKW-GMTAPVOTSA-N 2 0 268.361 -0.998 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001444409069 912444347 /nfs/dbraw/zinc/44/43/47/912444347.db2.gz OGXCHVNXBLFYRV-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001444429453 912448424 /nfs/dbraw/zinc/44/84/24/912448424.db2.gz CKUOPZFWTWDKNA-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)NCC23CC(C2)C[NH2+]3)CCOCC1 ZINC001344057589 889996550 /nfs/dbraw/zinc/99/65/50/889996550.db2.gz IVOKIUOUYGHHBT-XSRFYTQQSA-N 2 0 267.373 -0.001 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001444602115 912477388 /nfs/dbraw/zinc/47/73/88/912477388.db2.gz ZPYDSBPFUYDYQK-JHJVBQTASA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001444763074 912503946 /nfs/dbraw/zinc/50/39/46/912503946.db2.gz WHQRATQPUGRXEY-STQMWFEESA-N 2 0 298.431 -0.066 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001444824786 912509483 /nfs/dbraw/zinc/50/94/83/912509483.db2.gz VQWHYYTTYAVJTB-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC001345490407 890136024 /nfs/dbraw/zinc/13/60/24/890136024.db2.gz JOVIUGZVOXUMIY-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC1CCOCC1 ZINC001445165884 912594193 /nfs/dbraw/zinc/59/41/93/912594193.db2.gz XUJLOFAVTIJHRT-KBPBESRZSA-N 2 0 299.415 -0.426 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)NCCCC[NH3+] ZINC001346477916 890302198 /nfs/dbraw/zinc/30/21/98/890302198.db2.gz IUINNUMFVQLPDQ-NSHDSACASA-N 2 0 258.366 -0.255 20 0 CBADRP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001445313885 912629998 /nfs/dbraw/zinc/62/99/98/912629998.db2.gz OKMNCBZZZHELDH-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001445395974 912657826 /nfs/dbraw/zinc/65/78/26/912657826.db2.gz QPBXLGSJAXRZNX-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP [NH3+]CCC1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC001347157739 890418317 /nfs/dbraw/zinc/41/83/17/890418317.db2.gz ROKZUVYDDCSVSM-RYUDHWBXSA-N 2 0 255.362 -0.062 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001445435323 912667731 /nfs/dbraw/zinc/66/77/31/912667731.db2.gz SBLGDPSDFCSZKQ-PWSUYJOCSA-N 2 0 282.392 -0.250 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001445480739 912675035 /nfs/dbraw/zinc/67/50/35/912675035.db2.gz JJGMZPZAEUJPOY-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)CCC[NH+](C)C ZINC001445604551 912711262 /nfs/dbraw/zinc/71/12/62/912711262.db2.gz JTNKPADETBPPRZ-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)C[NH+]1CCCC1 ZINC001445647588 912722777 /nfs/dbraw/zinc/72/27/77/912722777.db2.gz KZAHSJLGLPNRLJ-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP Cc1cn(C(C)(C)C(=O)NCC2([NH2+]CC(N)=O)CC2)cn1 ZINC001446188992 912830388 /nfs/dbraw/zinc/83/03/88/912830388.db2.gz CPVLLEYILMYGSS-UHFFFAOYSA-N 2 0 293.371 -0.350 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001446223695 912839903 /nfs/dbraw/zinc/83/99/03/912839903.db2.gz NBVWLIANYBWBOX-VXGBXAGGSA-N 2 0 294.399 -0.402 20 0 CBADRP C[NH+](C)CCCC(=O)NCC1([NH2+][C@H]2CCCNC2=O)CC1 ZINC001446231670 912845901 /nfs/dbraw/zinc/84/59/01/912845901.db2.gz YDHGAXLZHUUUIT-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001188158867 884720536 /nfs/dbraw/zinc/72/05/36/884720536.db2.gz XNQYRHKVJBTUNO-OLZOCXBDSA-N 2 0 296.415 -0.252 20 0 CBADRP C[C@@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CCC[C@H]1C[NH3+] ZINC001206012753 884754019 /nfs/dbraw/zinc/75/40/19/884754019.db2.gz NLNAIGZITNQOOI-NEPJUHHUSA-N 2 0 294.399 -0.109 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1C ZINC001210041184 884759575 /nfs/dbraw/zinc/75/95/75/884759575.db2.gz QXMANCFLWRFVEB-VXGBXAGGSA-N 2 0 257.378 -0.243 20 0 CBADRP CCOC(=O)[C@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001211353696 884773036 /nfs/dbraw/zinc/77/30/36/884773036.db2.gz HXAZHFKIOFGHHE-WDEREUQCSA-N 2 0 271.361 -0.452 20 0 CBADRP Nc1ccc(-c2nc(=O)on2C(=O)[C@H]([NH3+])CCC[NH3+])cc1 ZINC001219386016 884791052 /nfs/dbraw/zinc/79/10/52/884791052.db2.gz BMMZMWTXCGQBAZ-SNVBAGLBSA-N 2 0 291.311 -0.208 20 0 CBADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219796021 884791574 /nfs/dbraw/zinc/79/15/74/884791574.db2.gz JHOCWATXAQDXHO-KBPBESRZSA-N 3 0 296.415 -0.958 20 0 CBADRP C[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219793907 884792594 /nfs/dbraw/zinc/79/25/94/884792594.db2.gz NKUJHCQSHXIDGB-SNVBAGLBSA-N 3 0 254.378 -0.334 20 0 CBADRP O=C(NCC1C[NH2+]C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001326002495 884870993 /nfs/dbraw/zinc/87/09/93/884870993.db2.gz YESGNSFZBWFNGE-JTQLQIEISA-N 2 0 264.333 -0.848 20 0 CBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N(CCO)CC[NH2+]CCCO ZINC001326020748 884875986 /nfs/dbraw/zinc/87/59/86/884875986.db2.gz BXOMDZAMHITFGZ-CQSZACIVSA-N 2 0 299.415 -0.879 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)nn1 ZINC001326061189 884895225 /nfs/dbraw/zinc/89/52/25/884895225.db2.gz ACOUGFFJNNVXOD-NWDGAFQWSA-N 2 0 292.387 -0.159 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC[C@@H](C)[NH2+]C ZINC001326145785 884920615 /nfs/dbraw/zinc/92/06/15/884920615.db2.gz ASPHOZXHOWWPIV-NEPJUHHUSA-N 2 0 286.420 -0.053 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC001326236279 884953688 /nfs/dbraw/zinc/95/36/88/884953688.db2.gz GJGBGRCBUVFDQW-TUAOUCFPSA-N 3 0 256.394 -0.101 20 0 CBADRP [NH3+]CCCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC001326261422 884961020 /nfs/dbraw/zinc/96/10/20/884961020.db2.gz UBLBXTLCFYZLGP-UHFFFAOYSA-N 2 0 251.334 -0.573 20 0 CBADRP [NH3+]CCOCC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001326325305 884988430 /nfs/dbraw/zinc/98/84/30/884988430.db2.gz OXOLYJCEUPKZEC-JSGCOSHPSA-N 2 0 285.388 -0.293 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001446445954 912885357 /nfs/dbraw/zinc/88/53/57/912885357.db2.gz QEAMGXOUFRXBIO-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP [NH3+]C[C@@H]1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC001326360699 885003895 /nfs/dbraw/zinc/00/38/95/885003895.db2.gz ABCNSBGSLXHLSN-VHSXEESVSA-N 2 0 263.345 -0.093 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC001326375120 885011432 /nfs/dbraw/zinc/01/14/32/885011432.db2.gz GYUGMZTYYOAGSD-IUCAKERBSA-N 2 0 263.345 -0.135 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001446455679 912888563 /nfs/dbraw/zinc/88/85/63/912888563.db2.gz MMKBOWOFMIGPPW-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[C@H](C(=O)N1CCC(O)(C[NH3+])CC1)[C@H](C)[NH3+] ZINC001326452411 885034241 /nfs/dbraw/zinc/03/42/41/885034241.db2.gz HNYAYMLXAZIUML-QWRGUYRKSA-N 2 0 257.378 -0.082 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001326578956 885072836 /nfs/dbraw/zinc/07/28/36/885072836.db2.gz WAGHXJYOAFVGHC-GFCCVEGCSA-N 2 0 268.405 -0.133 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CCCCC[NH2+]1 ZINC001326582788 885073754 /nfs/dbraw/zinc/07/37/54/885073754.db2.gz QUVYWXBZRKNIJS-CYBMUJFWSA-N 2 0 268.405 -0.118 20 0 CBADRP CC(C)([NH3+])c1noc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC001326596688 885081269 /nfs/dbraw/zinc/08/12/69/885081269.db2.gz YZOLNUKQDKJMME-LLVKDONJSA-N 2 0 294.403 -0.257 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N[C@@H]2CCC[NH2+]CC2)nn1 ZINC001326599911 885083291 /nfs/dbraw/zinc/08/32/91/885083291.db2.gz VXWNNUCOLPFJMV-LLVKDONJSA-N 2 0 280.376 -0.111 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC001326606676 885085190 /nfs/dbraw/zinc/08/51/90/885085190.db2.gz NPBNREDBLFMFIW-NEPJUHHUSA-N 2 0 256.394 -0.086 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001326800755 885152674 /nfs/dbraw/zinc/15/26/74/885152674.db2.gz OYKOIDPBTZSRGV-BXUZGUMPSA-N 2 0 269.389 -0.053 20 0 CBADRP O=C(C1CC[NH2+]CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001326816614 885163038 /nfs/dbraw/zinc/16/30/38/885163038.db2.gz LDAYAZQSATVBFA-ZDUSSCGKSA-N 2 0 266.389 -0.508 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H](N)CC[NH+](C)C)CC[C@@H]1[NH3+] ZINC001326905947 885187819 /nfs/dbraw/zinc/18/78/19/885187819.db2.gz IFNKBURSSQTDMQ-WOPDTQHZSA-N 2 0 256.394 -0.149 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)c1cn(CCCC[NH3+])nn1 ZINC001326833603 885167936 /nfs/dbraw/zinc/16/79/36/885167936.db2.gz BOYCZDPTIIKHNJ-JTQLQIEISA-N 2 0 266.349 -0.549 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC001326833500 885168126 /nfs/dbraw/zinc/16/81/26/885168126.db2.gz YGBIMNSAOATZFQ-VIFPVBQESA-N 2 0 254.338 -0.645 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001326833774 885169061 /nfs/dbraw/zinc/16/90/61/885169061.db2.gz IEZFDGOMWUHBLD-DCAQKATOSA-N 2 0 268.361 -0.950 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001326858450 885175762 /nfs/dbraw/zinc/17/57/62/885175762.db2.gz KGYNFUOLGQMISE-ZJUUUORDSA-N 2 0 296.375 -0.765 20 0 CBADRP [NH3+]CC1(C(=O)N2CCC(O)(C[NH3+])CC2)CCCC1 ZINC001326940660 885197510 /nfs/dbraw/zinc/19/75/10/885197510.db2.gz CWLRSOZCZAKFEP-UHFFFAOYSA-N 2 0 255.362 -0.182 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001326936932 885197658 /nfs/dbraw/zinc/19/76/58/885197658.db2.gz JKUPMWHOMNBXTN-SCZZXKLOSA-N 2 0 252.322 -0.753 20 0 CBADRP COCC[NH2+]CC(=O)NCc1ccccc1C[NH3+] ZINC001327074020 885243580 /nfs/dbraw/zinc/24/35/80/885243580.db2.gz TVFAFEBYZNDACI-UHFFFAOYSA-N 2 0 251.330 -0.003 20 0 CBADRP O=C(C[N@@H+]1CCC[C@@H]2COCC[C@H]21)N1CC[NH2+]CC1 ZINC001327086709 885253382 /nfs/dbraw/zinc/25/33/82/885253382.db2.gz GKVWFIFBNKMNAP-CHWSQXEVSA-N 2 0 267.373 -0.081 20 0 CBADRP NC(=O)CN1CCC[C@@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC001327132160 885269172 /nfs/dbraw/zinc/26/91/72/885269172.db2.gz XMGQBKHRFMGHAV-LLVKDONJSA-N 2 0 268.361 -0.806 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)C1 ZINC001327230361 885293787 /nfs/dbraw/zinc/29/37/87/885293787.db2.gz HOWLOGPGTADDMR-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001327471967 885369517 /nfs/dbraw/zinc/36/95/17/885369517.db2.gz PAHRZSDSFFWSOI-WOPDTQHZSA-N 2 0 280.372 -0.793 20 0 CBADRP C([C@H]1CCC2(C[NH2+]C2)O1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001327564066 885407132 /nfs/dbraw/zinc/40/71/32/885407132.db2.gz WESZHRXQGUSANW-ZIAGYGMSSA-N 2 0 280.416 -0.513 20 0 CBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC001327562130 885408651 /nfs/dbraw/zinc/40/86/51/885408651.db2.gz JHPNPMLWFKMISD-MDZLAQPJSA-N 2 0 255.362 -0.443 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C[NH2+]C2CC2)CC1 ZINC001327578234 885413630 /nfs/dbraw/zinc/41/36/30/885413630.db2.gz IAHTVGYPJIBJOW-UHFFFAOYSA-N 2 0 296.415 -0.155 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]([NH3+])C2CCC2)n1 ZINC001327578654 885414030 /nfs/dbraw/zinc/41/40/30/885414030.db2.gz JPUZXBQGWYPFRU-NSHDSACASA-N 2 0 265.317 -0.616 20 0 CBADRP C[NH2+]CCN(C)C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001327598039 885422708 /nfs/dbraw/zinc/42/27/08/885422708.db2.gz XNNDHANIEGGHHZ-UHFFFAOYSA-N 2 0 266.349 -0.506 20 0 CBADRP COC[C@@H](CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)OC ZINC001327628131 885435245 /nfs/dbraw/zinc/43/52/45/885435245.db2.gz ARMGDEKHXGPUTA-UONOGXRCSA-N 2 0 289.420 -0.764 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCCC[NH3+])C1 ZINC001327682069 885451363 /nfs/dbraw/zinc/45/13/63/885451363.db2.gz JVYAKZGDFWWVQB-PHIMTYICSA-N 2 0 270.377 -0.702 20 0 CBADRP [NH3+]CCCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001327682024 885451975 /nfs/dbraw/zinc/45/19/75/885451975.db2.gz ITGRXMHCYFJDRK-OLZOCXBDSA-N 2 0 296.415 -0.025 20 0 CBADRP C[C@H](CCCC[NH3+])NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001327819223 885486629 /nfs/dbraw/zinc/48/66/29/885486629.db2.gz POOPGCHDCXFJPI-SECBINFHSA-N 2 0 296.375 -0.042 20 0 CBADRP CC(C)([NH3+])CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001327918934 885527049 /nfs/dbraw/zinc/52/70/49/885527049.db2.gz RHUQMXGSWLKBIP-UHFFFAOYSA-N 2 0 266.349 -0.330 20 0 CBADRP C[NH2+]CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001327920072 885527648 /nfs/dbraw/zinc/52/76/48/885527648.db2.gz YQJVMKWYSJMRNM-SNVBAGLBSA-N 2 0 266.349 -0.458 20 0 CBADRP C[C@H](Cn1cncn1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC001328086396 885569053 /nfs/dbraw/zinc/56/90/53/885569053.db2.gz RRTPKWPCBHBURY-LLVKDONJSA-N 2 0 253.350 -0.287 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@]1(O)CC[NH+](C[C@H](C)O)C1 ZINC001446788182 912949625 /nfs/dbraw/zinc/94/96/25/912949625.db2.gz BCERVYVKUKUPNS-GXTWGEPZSA-N 2 0 287.404 -0.738 20 0 CBADRP C[C@H]([NH3+])C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001328180847 885591727 /nfs/dbraw/zinc/59/17/27/885591727.db2.gz BXYLOXJQYTVULG-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1C[C@@H]1CCC[NH2+]C1 ZINC001328189395 885595179 /nfs/dbraw/zinc/59/51/79/885595179.db2.gz FVKIMSZCGJTVGQ-MFKMUULPSA-N 2 0 266.345 -0.340 20 0 CBADRP O=C(N1CCC(O)(C[NH2+]CCO)CC1)C12CC[NH+](CC1)C2 ZINC001328208051 885601858 /nfs/dbraw/zinc/60/18/58/885601858.db2.gz SLBQMVMHXLXMFM-UHFFFAOYSA-N 2 0 297.399 -0.982 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)nn1 ZINC001328332012 885638302 /nfs/dbraw/zinc/63/83/02/885638302.db2.gz HIVVOTCWMLUPGL-NXEZZACHSA-N 2 0 266.349 -0.516 20 0 CBADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC001328370591 885660847 /nfs/dbraw/zinc/66/08/47/885660847.db2.gz QYGFQZGYBOJDTL-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+][C@H](C)Cc1noc(CNC(=O)[C@@H]2CCC[NH2+]2)n1 ZINC001328387867 885665375 /nfs/dbraw/zinc/66/53/75/885665375.db2.gz OITOTUQXMKFZPB-BDAKNGLRSA-N 2 0 267.333 -0.412 20 0 CBADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001328401416 885672632 /nfs/dbraw/zinc/67/26/32/885672632.db2.gz YIVBGPBINVSQDM-STQMWFEESA-N 3 0 268.405 -0.275 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC001328437583 885686593 /nfs/dbraw/zinc/68/65/93/885686593.db2.gz PLDJUJNHVCTWJS-USZNOCQGSA-N 2 0 255.362 -0.064 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001328455023 885693991 /nfs/dbraw/zinc/69/39/91/885693991.db2.gz MVRAKQNSECWDJR-UONOGXRCSA-N 2 0 298.431 -0.506 20 0 CBADRP C[NH+](C)C1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC001328453983 885694090 /nfs/dbraw/zinc/69/40/90/885694090.db2.gz AJRVQVJQOCKKNF-RYUDHWBXSA-N 2 0 255.362 -0.097 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)nn1 ZINC001328462645 885696329 /nfs/dbraw/zinc/69/63/29/885696329.db2.gz WRPATKHKMKQLNK-NSHDSACASA-N 2 0 280.376 -0.254 20 0 CBADRP O=C(C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O)N1CC[NH2+]CC1 ZINC001328490124 885706784 /nfs/dbraw/zinc/70/67/84/885706784.db2.gz INQLFQFCQANASM-ONXXMXGDSA-N 2 0 267.373 -0.489 20 0 CBADRP C[NH+](C)CCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001328655969 885763756 /nfs/dbraw/zinc/76/37/56/885763756.db2.gz AIOYRKDNNFHCQY-UHFFFAOYSA-N 2 0 296.375 -0.939 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC001328970348 885866402 /nfs/dbraw/zinc/86/64/02/885866402.db2.gz BDXFCFUZNKBTIC-GFCCVEGCSA-N 2 0 282.388 -0.545 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001446971425 912990115 /nfs/dbraw/zinc/99/01/15/912990115.db2.gz KYQLZCNCLQBLQS-QWHCGFSZSA-N 2 0 298.431 -0.242 20 0 CBADRP C[NH2+]C1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC001329297682 886002679 /nfs/dbraw/zinc/00/26/79/886002679.db2.gz DSGHSMLOOZCZOH-LLVKDONJSA-N 2 0 268.361 -0.935 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)nn1 ZINC001329297155 886003311 /nfs/dbraw/zinc/00/33/11/886003311.db2.gz CVDAXTTYHXSANC-JTQLQIEISA-N 2 0 266.349 -0.644 20 0 CBADRP C[C@@]1(C[NH3+])CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001329333001 886020639 /nfs/dbraw/zinc/02/06/39/886020639.db2.gz PNKDFUIWKYBZBM-GWCFXTLKSA-N 2 0 268.361 -0.948 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(O)(C[NH3+])CC1 ZINC001329389482 886045849 /nfs/dbraw/zinc/04/58/49/886045849.db2.gz SJYGPQFLPNPNOG-QWRGUYRKSA-N 2 0 255.362 -0.313 20 0 CBADRP [NH3+]CC1(NC(=O)NCCCN2CC[NH2+]CC2)CCOCC1 ZINC001329425478 886058588 /nfs/dbraw/zinc/05/85/88/886058588.db2.gz NAJRNKXZQZRAIN-UHFFFAOYSA-N 2 0 299.419 -0.911 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@]2(CO)CCC[NH+](CCCO)C2)C1 ZINC001447039227 913003430 /nfs/dbraw/zinc/00/34/30/913003430.db2.gz KFBIHJMAIIVDQI-UKRRQHHQSA-N 2 0 299.415 -0.736 20 0 CBADRP C[NH2+]C1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC001329484713 886089486 /nfs/dbraw/zinc/08/94/86/886089486.db2.gz TZVXODIWDGGLBH-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP COC1(C(=O)NC[C@@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC001329485094 886090626 /nfs/dbraw/zinc/09/06/26/886090626.db2.gz XNLWJRHPDIQLJD-LLVKDONJSA-N 2 0 255.362 -0.129 20 0 CBADRP COC1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001329513441 886103066 /nfs/dbraw/zinc/10/30/66/886103066.db2.gz CDNUPSQIPRUUMO-CYBMUJFWSA-N 2 0 267.373 -0.033 20 0 CBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC001329675972 886169485 /nfs/dbraw/zinc/16/94/85/886169485.db2.gz UEIXLPVMGZZYKP-STQMWFEESA-N 2 0 257.378 -0.195 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCCCC[NH3+] ZINC001329729027 886187296 /nfs/dbraw/zinc/18/72/96/886187296.db2.gz ZHTIAYVWPJKTLP-UHFFFAOYSA-N 2 0 284.404 -0.214 20 0 CBADRP C[C@H](NC(=O)[C@H](N)CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001329757840 886198498 /nfs/dbraw/zinc/19/84/98/886198498.db2.gz CMLSGWFCEODZCG-SDDRHHMPSA-N 2 0 256.394 -0.230 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NCCC1CC[NH2+]CC1 ZINC001329783955 886208115 /nfs/dbraw/zinc/20/81/15/886208115.db2.gz AHHBCHXDLILBGS-LBPRGKRZSA-N 2 0 256.394 -0.229 20 0 CBADRP C[NH2+]CCN(C)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001329822311 886227051 /nfs/dbraw/zinc/22/70/51/886227051.db2.gz AKYDUABBGRMFRF-UHFFFAOYSA-N 2 0 268.321 -0.998 20 0 CBADRP COCC[NH2+]CCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001329924833 886276614 /nfs/dbraw/zinc/27/66/14/886276614.db2.gz WBGKGSFDUXBNTA-UHFFFAOYSA-N 2 0 296.375 -0.832 20 0 CBADRP CC[C@@H]1CN(C(=O)c2cn(CC[NH3+])nn2)CC[C@@H]1[NH3+] ZINC001329923835 886277678 /nfs/dbraw/zinc/27/76/78/886277678.db2.gz LLZJVOFYURJDOM-ZJUUUORDSA-N 2 0 266.349 -0.564 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC001329926837 886283509 /nfs/dbraw/zinc/28/35/09/886283509.db2.gz VOJNTRUTKUABQU-SRVKXCTJSA-N 2 0 255.362 -0.192 20 0 CBADRP O=C1C[C@H](C[NH2+]C2CCN([C@@H]3CCOC3)CC2)CN1 ZINC001329942061 886292873 /nfs/dbraw/zinc/29/28/73/886292873.db2.gz VLRWMMSQXBEWPM-DGCLKSJQSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C([C@@H]1CCC[NH2+]CC1)N1CCOC2(C[NH2+]C2)C1 ZINC001329966041 886304706 /nfs/dbraw/zinc/30/47/06/886304706.db2.gz YACQFSCDVAOFOF-LLVKDONJSA-N 2 0 253.346 -0.423 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001330018484 886327019 /nfs/dbraw/zinc/32/70/19/886327019.db2.gz CNHBMSVXRARIKN-GARJFASQSA-N 2 0 270.377 -0.609 20 0 CBADRP C[NH2+]CCC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001330035279 886334992 /nfs/dbraw/zinc/33/49/92/886334992.db2.gz OCEJTOHULNEGCU-UHFFFAOYSA-N 2 0 268.405 -0.166 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001330038838 886335659 /nfs/dbraw/zinc/33/56/59/886335659.db2.gz DQWOZSLQECVVPW-GARJFASQSA-N 2 0 270.377 -0.752 20 0 CBADRP CCNC(=O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001447260185 913038065 /nfs/dbraw/zinc/03/80/65/913038065.db2.gz CPTRQKWJAJGHRM-UHFFFAOYSA-N 2 0 296.415 -0.153 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC([NH3+])CC3)CC[C@@H]21 ZINC001330568311 886484806 /nfs/dbraw/zinc/48/48/06/886484806.db2.gz SLXFYEDYCWRUSF-AAEUAGOBSA-N 2 0 294.399 -0.511 20 0 CBADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N(C)CCC[NH3+] ZINC001330594480 886492149 /nfs/dbraw/zinc/49/21/49/886492149.db2.gz KZLGXLBAFARMJX-NWDGAFQWSA-N 2 0 284.404 -0.408 20 0 CBADRP C[NH2+]CCOCCNC(=O)C12CCC[NH+]1CCC2 ZINC001330607989 886501212 /nfs/dbraw/zinc/50/12/12/886501212.db2.gz KWVWBVOFDINIDN-UHFFFAOYSA-N 2 0 255.362 -0.033 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC001330625371 886507533 /nfs/dbraw/zinc/50/75/33/886507533.db2.gz FIKRWISEWMMJDE-RISCZKNCSA-N 2 0 267.373 -0.169 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC001330625000 886509270 /nfs/dbraw/zinc/50/92/70/886509270.db2.gz BRLABSDXOWTHNH-PCAWENJQSA-N 2 0 267.373 -0.146 20 0 CBADRP COC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001447303850 913051146 /nfs/dbraw/zinc/05/11/46/913051146.db2.gz KDKCRECXHRMINB-UONOGXRCSA-N 2 0 299.415 -0.066 20 0 CBADRP COC[C@]1(C(=O)NCCC(C)(C)[NH3+])C[NH2+]CCO1 ZINC001330952407 886633323 /nfs/dbraw/zinc/63/33/23/886633323.db2.gz RKEQQGVLGCGWEV-LBPRGKRZSA-N 2 0 259.350 -0.765 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001331014845 886648283 /nfs/dbraw/zinc/64/82/83/886648283.db2.gz DAIDNOPEXGCQTE-IMSYWVGJSA-N 2 0 259.300 -0.187 20 0 CBADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCC[NH3+] ZINC001331026208 886650332 /nfs/dbraw/zinc/65/03/32/886650332.db2.gz NSZNKDLZDBHZTB-SNVBAGLBSA-N 2 0 251.334 -0.195 20 0 CBADRP C[C@H](C[NH3+])NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001331396070 886794192 /nfs/dbraw/zinc/79/41/92/886794192.db2.gz OKISIKUGGSRYQZ-SFYZADRCSA-N 2 0 250.293 -0.122 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001331317749 886774685 /nfs/dbraw/zinc/77/46/85/886774685.db2.gz BYUFUSAJEOVFTK-NSHDSACASA-N 2 0 272.393 -0.312 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC001331320782 886776822 /nfs/dbraw/zinc/77/68/22/886776822.db2.gz XSALKNAFPOVKLP-HBNTYKKESA-N 2 0 282.388 -0.419 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC001331474824 886816563 /nfs/dbraw/zinc/81/65/63/886816563.db2.gz LCOWMEOQKJSUQR-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001331605056 886861566 /nfs/dbraw/zinc/86/15/66/886861566.db2.gz WSESOQAWAGMOFS-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001331655630 886885017 /nfs/dbraw/zinc/88/50/17/886885017.db2.gz DHVWFZBCNMGQTL-FRRDWIJNSA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001447535431 913092851 /nfs/dbraw/zinc/09/28/51/913092851.db2.gz GLIBWFVSMVANQP-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001331688644 886909421 /nfs/dbraw/zinc/90/94/21/886909421.db2.gz DELQOBGZYFDEHV-AXFHLTTASA-N 2 0 268.361 -0.902 20 0 CBADRP C[C@@H](NC(=O)c1cn(CC[NH3+])nn1)C1CC[NH2+]CC1 ZINC001331690502 886910860 /nfs/dbraw/zinc/91/08/60/886910860.db2.gz UZSFZNVEEZSGKM-SECBINFHSA-N 2 0 266.349 -0.645 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001331689832 886911719 /nfs/dbraw/zinc/91/17/19/886911719.db2.gz OGJBSXXGWJNGIF-TUAOUCFPSA-N 2 0 255.362 -0.097 20 0 CBADRP CCCNC(=O)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001447534484 913094079 /nfs/dbraw/zinc/09/40/79/913094079.db2.gz BQZJPQREEXJVLK-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001331707713 886923833 /nfs/dbraw/zinc/92/38/33/886923833.db2.gz NVQKWTOFDLHDSB-MWLCHTKSSA-N 2 0 263.345 -0.297 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001331707707 886924022 /nfs/dbraw/zinc/92/40/22/886924022.db2.gz NVQKWTOFDLHDSB-GXSJLCMTSA-N 2 0 263.345 -0.297 20 0 CBADRP COCC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001331712913 886930147 /nfs/dbraw/zinc/93/01/47/886930147.db2.gz VVGNLDQUVUTDIT-QWHCGFSZSA-N 2 0 285.388 -0.959 20 0 CBADRP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CCOC2(C[NH2+]C2)C1 ZINC001331713146 886931136 /nfs/dbraw/zinc/93/11/36/886931136.db2.gz VCMRYYZRINQPFL-NXEZZACHSA-N 2 0 257.309 -0.865 20 0 CBADRP [NH3+]C1(CNC(=O)NCC2=CC[NH2+]CC2)CCOCC1 ZINC001331731233 886942109 /nfs/dbraw/zinc/94/21/09/886942109.db2.gz QLDGYGAGEZOTGD-UHFFFAOYSA-N 2 0 268.361 -0.287 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC1CC1)[NH+](C)C ZINC001331737830 886946242 /nfs/dbraw/zinc/94/62/42/886946242.db2.gz DHANCVGUZCPLEG-NWDGAFQWSA-N 2 0 257.378 -0.197 20 0 CBADRP COCC[NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001331741023 886949486 /nfs/dbraw/zinc/94/94/86/886949486.db2.gz SOZCMLBYTAVOCD-LBPRGKRZSA-N 2 0 285.388 -0.672 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCF ZINC001331769962 886966440 /nfs/dbraw/zinc/96/64/40/886966440.db2.gz DQYBLYAUXDSPMN-QWRGUYRKSA-N 2 0 261.341 -0.493 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCF ZINC001331769960 886968534 /nfs/dbraw/zinc/96/85/34/886968534.db2.gz DQYBLYAUXDSPMN-MNOVXSKESA-N 2 0 261.341 -0.493 20 0 CBADRP COCCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001331773039 886970679 /nfs/dbraw/zinc/97/06/79/886970679.db2.gz SJROJZDRMQUZMU-NWDGAFQWSA-N 2 0 273.377 -0.816 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H]2CNC(=O)C2)C1 ZINC001331791249 886985111 /nfs/dbraw/zinc/98/51/11/886985111.db2.gz MIUCLANEVZUIJN-YPMHNXCESA-N 2 0 255.362 -0.489 20 0 CBADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NCC[NH+]2CC=CC2)C1 ZINC001331932609 887050969 /nfs/dbraw/zinc/05/09/69/887050969.db2.gz YEJXALWUJGNBPX-CQSZACIVSA-N 2 0 267.373 -0.179 20 0 CBADRP C[NH2+]CCCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001331949169 887057322 /nfs/dbraw/zinc/05/73/22/887057322.db2.gz IXCIVLPPOJWWRZ-NWDGAFQWSA-N 2 0 280.376 -0.534 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001331947914 887057961 /nfs/dbraw/zinc/05/79/61/887057961.db2.gz JJHTUZHJFOLQGN-WDEREUQCSA-N 2 0 272.393 -0.314 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001331967768 887069342 /nfs/dbraw/zinc/06/93/42/887069342.db2.gz CCEZVRLFAITONJ-GRYCIOLGSA-N 2 0 255.362 -0.097 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C1(n2cccn2)CC[NH2+]CC1 ZINC001332046221 887093756 /nfs/dbraw/zinc/09/37/56/887093756.db2.gz AHDPQLSMYACCIE-NSHDSACASA-N 2 0 263.345 -0.560 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC[C@H]21 ZINC001332115896 887116313 /nfs/dbraw/zinc/11/63/13/887116313.db2.gz JDDUBWURVFHSTM-YNEHKIRRSA-N 2 0 294.399 -0.511 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)C[C@@H]2CC(=O)N2)C[C@H]1C[NH+](C)C ZINC001332174348 887142984 /nfs/dbraw/zinc/14/29/84/887142984.db2.gz BRJKWXRUCRBJMV-UPJWGTAASA-N 2 0 296.415 -0.537 20 0 CBADRP CC[NH+]1CCC(CNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC001332234333 887164285 /nfs/dbraw/zinc/16/42/85/887164285.db2.gz IFPTWOYRPDAFEX-YPMHNXCESA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)C1CC1 ZINC001332267648 887177627 /nfs/dbraw/zinc/17/76/27/887177627.db2.gz PVKNKAZWTBAIRD-QWHCGFSZSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001332271778 887177900 /nfs/dbraw/zinc/17/79/00/887177900.db2.gz YNHZVTZTKNQJKW-GMTAPVOTSA-N 2 0 270.377 -0.704 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)C1 ZINC001332292731 887187263 /nfs/dbraw/zinc/18/72/63/887187263.db2.gz SVQIUFQPJFDLMA-WHOHXGKFSA-N 2 0 253.346 -0.569 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCC1(C)C ZINC001332330412 887206043 /nfs/dbraw/zinc/20/60/43/887206043.db2.gz BOAHHXHKPNRGSH-TXEJJXNPSA-N 2 0 296.415 -0.217 20 0 CBADRP NS(=O)(=O)C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001332334567 887208599 /nfs/dbraw/zinc/20/85/99/887208599.db2.gz MJUASWFFBWMHCB-LLVKDONJSA-N 2 0 261.391 -0.404 20 0 CBADRP CC(C)([NH3+])c1noc(CN2CC[NH2+]CC[NH2+]CC2)n1 ZINC001332364333 887229383 /nfs/dbraw/zinc/22/93/83/887229383.db2.gz MZJPAKAWTLASNF-UHFFFAOYSA-N 3 0 268.365 -0.742 20 0 CBADRP C[NH2+][C@H](C(=O)N1CCC[C@H](C[NH3+])C1)c1cnn(C)c1 ZINC001332393565 887257738 /nfs/dbraw/zinc/25/77/38/887257738.db2.gz JUDFALTZZBNMTD-PWSUYJOCSA-N 2 0 265.361 -0.122 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1C[NH2+]C1 ZINC001332399591 887259738 /nfs/dbraw/zinc/25/97/38/887259738.db2.gz DRCOKHKHVFHPKL-PWSUYJOCSA-N 3 0 267.373 -0.131 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC001332403474 887264858 /nfs/dbraw/zinc/26/48/58/887264858.db2.gz WXCAIESKXNTWFF-DCAQKATOSA-N 2 0 263.407 -0.522 20 0 CBADRP [NH3+]CCOCC[NH+]1CCC(c2nnc3n2CCNC3)CC1 ZINC001332423853 887274226 /nfs/dbraw/zinc/27/42/26/887274226.db2.gz HFNCHFIQPSFZPB-UHFFFAOYSA-N 2 0 294.403 -0.464 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cn(CCC[NH3+])nn1 ZINC001332452451 887289101 /nfs/dbraw/zinc/28/91/01/887289101.db2.gz WQELPSQDYYBGNQ-RKDXNWHRSA-N 2 0 254.338 -0.518 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)c1cn(CCC[NH3+])nn1 ZINC001332452448 887289513 /nfs/dbraw/zinc/28/95/13/887289513.db2.gz WQELPSQDYYBGNQ-DTWKUNHWSA-N 2 0 254.338 -0.518 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(CCOCC[NH3+])CC2)C1 ZINC001332520932 887337609 /nfs/dbraw/zinc/33/76/09/887337609.db2.gz WXZGBTQGFJNZBL-AWEZNQCLSA-N 2 0 270.421 -0.327 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC[C@H]21 ZINC001332543055 887347907 /nfs/dbraw/zinc/34/79/07/887347907.db2.gz MOHPTRICRKAZQW-LBELIVKGSA-N 2 0 264.373 -0.060 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2CC([NH+](C)C)C2)C1 ZINC001332550402 887351151 /nfs/dbraw/zinc/35/11/51/887351151.db2.gz ONFXDFKVSJRGSQ-UHFFFAOYSA-N 2 0 254.378 -0.748 20 0 CBADRP CCOC(=O)[C@H]1C[NH2+]CCN1CCC[NH2+]C1CC1 ZINC001332815729 887438369 /nfs/dbraw/zinc/43/83/69/887438369.db2.gz KORYORXJQLPBPJ-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001332815451 887438442 /nfs/dbraw/zinc/43/84/42/887438442.db2.gz IKQYMDVYTSDFPQ-KBPBESRZSA-N 3 0 280.416 -0.656 20 0 CBADRP OC[C@@H]1C=CCN1CC1(C[N@@H+]2CC=C[C@H]2CO)COC1 ZINC001333084302 887520274 /nfs/dbraw/zinc/52/02/74/887520274.db2.gz KDUWDDHQCVCNFF-KBPBESRZSA-N 2 0 280.368 -0.532 20 0 CBADRP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]CCCO)C1 ZINC001333116775 887530916 /nfs/dbraw/zinc/53/09/16/887530916.db2.gz ZMWZXBNAPOOBFH-UHFFFAOYSA-N 2 0 257.378 -0.101 20 0 CBADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]CCOCCO)C1 ZINC001333154780 887543996 /nfs/dbraw/zinc/54/39/96/887543996.db2.gz VTHCAIPSBSJAIZ-IYXRBSQSSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001333180166 887554611 /nfs/dbraw/zinc/55/46/11/887554611.db2.gz YHBGNJOMXNBMLS-QJPTWQEYSA-N 2 0 282.388 -0.417 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001333178798 887554802 /nfs/dbraw/zinc/55/48/02/887554802.db2.gz OXKYMHRTIVBQBH-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)c2c(C[NH3+])cnn2C)C1 ZINC001333321250 887596361 /nfs/dbraw/zinc/59/63/61/887596361.db2.gz YXRVZOFOCJAHIU-SNVBAGLBSA-N 2 0 251.334 -0.297 20 0 CBADRP C[C@@H]1CCN(C(=O)c2c(C[NH3+])cnn2C)C[C@H]1C[NH3+] ZINC001333338891 887601798 /nfs/dbraw/zinc/60/17/98/887601798.db2.gz TXBLNFMFPYMQLL-MWLCHTKSSA-N 2 0 265.361 -0.064 20 0 CBADRP [NH3+]CCc1nc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cs1 ZINC001333355063 887607738 /nfs/dbraw/zinc/60/77/38/887607738.db2.gz YGWDCWPGNPOESN-YUMQZZPRSA-N 2 0 252.343 -0.169 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001333404482 887625055 /nfs/dbraw/zinc/62/50/55/887625055.db2.gz ORWUXVQVHNQQMZ-RNJOBUHISA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001333531569 887676163 /nfs/dbraw/zinc/67/61/63/887676163.db2.gz BHYSDAMCZDTTJO-BQBZGAKWSA-N 2 0 268.321 -0.824 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@H](N3CCOC3=O)C2)C1 ZINC001333530175 887677428 /nfs/dbraw/zinc/67/74/28/887677428.db2.gz VHRNNOGKTXVHJO-NAKRPEOUSA-N 2 0 255.318 -0.637 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001333602680 887709668 /nfs/dbraw/zinc/70/96/68/887709668.db2.gz OKISIKUGGSRYQZ-YUMQZZPRSA-N 2 0 250.293 -0.122 20 0 CBADRP O=CN1CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC001333613019 887715226 /nfs/dbraw/zinc/71/52/26/887715226.db2.gz YAHADIYIASXPJC-ZDUSSCGKSA-N 2 0 255.362 -0.347 20 0 CBADRP [NH3+]CCn1cc(C(=O)NCCC2(C[NH3+])CC2)nn1 ZINC001333630463 887726785 /nfs/dbraw/zinc/72/67/85/887726785.db2.gz PJALSBODQDFSRI-UHFFFAOYSA-N 2 0 252.322 -0.904 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC001333636418 887730033 /nfs/dbraw/zinc/73/00/33/887730033.db2.gz RLSXUGRLKDSLDL-KGLIPLIRSA-N 2 0 299.415 -0.033 20 0 CBADRP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC001333664376 887740908 /nfs/dbraw/zinc/74/09/08/887740908.db2.gz IAHNPGADXPFXFE-YFKTTZPYSA-N 2 0 267.373 -0.132 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC001333682497 887742544 /nfs/dbraw/zinc/74/25/44/887742544.db2.gz FBYBXOKVDHZZFJ-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001333943799 887816407 /nfs/dbraw/zinc/81/64/07/887816407.db2.gz ORWUXVQVHNQQMZ-FDYHWXHSSA-N 2 0 296.415 -0.171 20 0 CBADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001334053748 887855589 /nfs/dbraw/zinc/85/55/89/887855589.db2.gz ABRGIKXBDYKNAW-XEZLXBQYSA-N 2 0 262.361 -0.490 20 0 CBADRP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001447993350 913187036 /nfs/dbraw/zinc/18/70/36/913187036.db2.gz QZBKVEJZVJNNCG-VXGBXAGGSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@H](C(=O)N1CC(N2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001334138998 887873809 /nfs/dbraw/zinc/87/38/09/887873809.db2.gz JTWSWQJZETUWTE-LLVKDONJSA-N 2 0 254.378 -0.605 20 0 CBADRP NS(=O)(=O)C[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC001334337778 887925405 /nfs/dbraw/zinc/92/54/05/887925405.db2.gz KQJGHNUULPXFIX-GHMZBOCLSA-N 2 0 261.391 -0.404 20 0 CBADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](O)CS(C)(=O)=O ZINC001334389480 887948788 /nfs/dbraw/zinc/94/87/88/887948788.db2.gz HTXPZPURIIRJDK-VHSXEESVSA-N 2 0 252.380 -0.501 20 0 CBADRP Cn1nnnc1CCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC001334707534 888290092 /nfs/dbraw/zinc/29/00/92/888290092.db2.gz KWRIGNCETJLOGL-JHJVBQTASA-N 2 0 294.403 -0.111 20 0 CBADRP CN(C[C@H](O)Cn1cccn1)C1(C[NH3+])CCOCC1 ZINC001334738577 888302772 /nfs/dbraw/zinc/30/27/72/888302772.db2.gz QRKLODNMQOIAOZ-LBPRGKRZSA-N 2 0 268.361 -0.316 20 0 CBADRP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001334736870 888303813 /nfs/dbraw/zinc/30/38/13/888303813.db2.gz CEEKEMIXVQZEEU-XHSDSOJGSA-N 3 0 294.443 -0.266 20 0 CBADRP C[NH+]1CCN(C2CN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001334936922 888365254 /nfs/dbraw/zinc/36/52/54/888365254.db2.gz XHBXAXXHWJFURX-UHFFFAOYSA-N 2 0 266.389 -0.460 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC001335167658 888429476 /nfs/dbraw/zinc/42/94/76/888429476.db2.gz DVLDFZPZSDGPNP-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP CC(=O)NCC1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC001335190140 888438112 /nfs/dbraw/zinc/43/81/12/888438112.db2.gz HLTHQNATFRECTJ-AVGNSLFASA-N 2 0 255.362 -0.315 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)NCCCN2CC[NH2+]CC2)CCOCC1 ZINC001335265792 888476157 /nfs/dbraw/zinc/47/61/57/888476157.db2.gz SRKMXJSNWUTFSW-ZDUSSCGKSA-N 2 0 298.431 -0.458 20 0 CBADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC001335266912 888476644 /nfs/dbraw/zinc/47/66/44/888476644.db2.gz ICJSZBIKZWBXCU-YUTCNCBUSA-N 3 0 270.421 -0.249 20 0 CBADRP C[N@H+](C[C@@H](O)CN[C@@H]1CCCCNC1=O)C1CC1 ZINC001335350387 888512446 /nfs/dbraw/zinc/51/24/46/888512446.db2.gz DVOBEXWDUQDJLN-NWDGAFQWSA-N 2 0 255.362 -0.300 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC[C@@H](O)C1(O)CCCC1 ZINC001335461251 888538565 /nfs/dbraw/zinc/53/85/65/888538565.db2.gz VEHKETAOFRCAAI-NEPJUHHUSA-N 2 0 260.378 -0.445 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001335552973 888562681 /nfs/dbraw/zinc/56/26/81/888562681.db2.gz BSAJLBCSEYKFHK-NNYUYHANSA-N 2 0 252.362 -0.012 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)N1CCNCC[NH2+]CC1 ZINC001335551137 888563601 /nfs/dbraw/zinc/56/36/01/888563601.db2.gz ITPZPCGXBVMQJE-NSHDSACASA-N 2 0 257.382 -0.954 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)C[C@H]1[NH3+] ZINC001335568583 888567854 /nfs/dbraw/zinc/56/78/54/888567854.db2.gz NYKHBJZFRIUFPR-OUAUKWLOSA-N 2 0 256.350 -0.647 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)NCC[NH2+]C1CC1 ZINC001335585077 888572231 /nfs/dbraw/zinc/57/22/31/888572231.db2.gz SGYHANDYYWISHC-GFCCVEGCSA-N 2 0 270.377 -0.242 20 0 CBADRP [NH3+]CCNC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001335584643 888573562 /nfs/dbraw/zinc/57/35/62/888573562.db2.gz PZJJXDGJFIXFPP-NKWVEPMBSA-N 2 0 254.256 -0.134 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001335593344 888576398 /nfs/dbraw/zinc/57/63/98/888576398.db2.gz WVJRJOIYFNSVHJ-GMTAPVOTSA-N 2 0 256.350 -0.647 20 0 CBADRP CCO[C@H](CNC(=O)NC[C@H]([NH3+])CC)C[NH+](C)C ZINC001335595207 888577572 /nfs/dbraw/zinc/57/75/72/888577572.db2.gz GEOQMTGKIXEACA-GHMZBOCLSA-N 2 0 260.382 -0.010 20 0 CBADRP CN(CCC[NH3+])C(=O)NCCN1CCC([NH3+])CC1 ZINC001335620991 888586457 /nfs/dbraw/zinc/58/64/57/888586457.db2.gz BVRQBDMNAHMTSX-UHFFFAOYSA-N 2 0 257.382 -0.600 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001335651157 888594752 /nfs/dbraw/zinc/59/47/52/888594752.db2.gz WRXQGSDHZXJGQA-NEPJUHHUSA-N 2 0 272.393 -0.009 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)N(CC[NH3+])CCO ZINC001335725515 888613745 /nfs/dbraw/zinc/61/37/45/888613745.db2.gz DXEVQZWHWFXRCA-LLVKDONJSA-N 2 0 258.366 -0.567 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001335751161 888621575 /nfs/dbraw/zinc/62/15/75/888621575.db2.gz JNZGIEIGUKAHSQ-ZDEQEGDKSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC001335752321 888621936 /nfs/dbraw/zinc/62/19/36/888621936.db2.gz WXRXEISEFRYXEZ-BJDJZHNGSA-N 2 0 282.388 -0.561 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCC[NH3+])C[C@H]2C1 ZINC001335778507 888627291 /nfs/dbraw/zinc/62/72/91/888627291.db2.gz RGFUHLAHSZXXPC-IJLUTSLNSA-N 2 0 282.388 -0.750 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001335788959 888628603 /nfs/dbraw/zinc/62/86/03/888628603.db2.gz ONYHMKZGATVGQR-AGIUHOORSA-N 2 0 268.405 -0.182 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NCc1ccccc1C[NH3+] ZINC001335843100 888643023 /nfs/dbraw/zinc/64/30/23/888643023.db2.gz NIYNTUVIWQBCHY-ZDUSSCGKSA-N 2 0 262.357 -0.335 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001335834456 888643162 /nfs/dbraw/zinc/64/31/62/888643162.db2.gz XUYPTBZAJMGUGK-FVCCEPFGSA-N 2 0 294.399 -0.594 20 0 CBADRP C[NH+]1CCN(CC[NH2+]C[C@H](O)CC(C)(C)O)CC1 ZINC001335896548 888651498 /nfs/dbraw/zinc/65/14/98/888651498.db2.gz GJGWEOPPZOFISP-GFCCVEGCSA-N 2 0 259.394 -0.655 20 0 CBADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@H](O)COC)CC1 ZINC001335935397 888658223 /nfs/dbraw/zinc/65/82/23/888658223.db2.gz XHQZOALKJGVZTE-STQMWFEESA-N 2 0 259.394 -0.391 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC001336038876 888681023 /nfs/dbraw/zinc/68/10/23/888681023.db2.gz BXKQNKUFRRYWDL-NKWVEPMBSA-N 2 0 256.272 -0.729 20 0 CBADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001336095189 888692875 /nfs/dbraw/zinc/69/28/75/888692875.db2.gz LVPXLJAVNFRCFE-PMPSAXMXSA-N 3 0 294.443 -0.266 20 0 CBADRP Nc1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)nn1 ZINC001336116605 888698069 /nfs/dbraw/zinc/69/80/69/888698069.db2.gz HCDMUCSLTKGIHD-LBPRGKRZSA-N 2 0 262.361 -0.462 20 0 CBADRP CC[NH2+]CCNC(=O)N1CC[NH2+]C[C@H]1CCOC ZINC001336115902 888698632 /nfs/dbraw/zinc/69/86/32/888698632.db2.gz IKISYWVUOWOFFN-LLVKDONJSA-N 2 0 258.366 -0.384 20 0 CBADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCNCC[NH2+]CC1 ZINC001336160024 888709782 /nfs/dbraw/zinc/70/97/82/888709782.db2.gz QOSOJEUFCRSHJQ-BTTYYORXSA-N 2 0 295.431 -0.279 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001336241076 888725286 /nfs/dbraw/zinc/72/52/86/888725286.db2.gz PKLJVTNSQYPLGV-WISYIIOYSA-N 2 0 268.361 -0.443 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2CC[NH2+]2)C[C@@H]1C(F)(F)F ZINC001336741691 888863215 /nfs/dbraw/zinc/86/32/15/888863215.db2.gz ISXFKSFOULNWKI-BIIVOSGPSA-N 2 0 251.252 -0.056 20 0 CBADRP C[C@H]1C[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)CC[N@@H+]1C ZINC001336633890 888823884 /nfs/dbraw/zinc/82/38/84/888823884.db2.gz MMWCLWDLNGEZRR-WDEREUQCSA-N 2 0 282.388 -0.465 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC001336678286 888843363 /nfs/dbraw/zinc/84/33/63/888843363.db2.gz YRVWIUMARMKZIO-NEPJUHHUSA-N 2 0 296.415 -0.489 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC001336677948 888844229 /nfs/dbraw/zinc/84/42/29/888844229.db2.gz WJWSZYDGHHHINS-SNVBAGLBSA-N 2 0 268.361 -0.996 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001336687178 888845854 /nfs/dbraw/zinc/84/58/54/888845854.db2.gz LMSMVTCLTXIQPY-RYUDHWBXSA-N 2 0 267.373 -0.129 20 0 CBADRP O=C(NCC[C@H]1CC[NH2+]C1)[C@H]1[NH2+]CC12CCOCC2 ZINC001336687180 888847256 /nfs/dbraw/zinc/84/72/56/888847256.db2.gz LMSMVTCLTXIQPY-VXGBXAGGSA-N 2 0 267.373 -0.129 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(O)CCC2)CC1 ZINC001336762826 888870434 /nfs/dbraw/zinc/87/04/34/888870434.db2.gz IWMQJFVJPDEBLO-LBPRGKRZSA-N 2 0 257.378 -0.901 20 0 CBADRP C[C@@H](CNC(=O)N1CCNCC[NH2+]CC1)C[NH+]1CCCC1 ZINC001336763362 888870522 /nfs/dbraw/zinc/87/05/22/888870522.db2.gz PXALWRADORAXAS-AWEZNQCLSA-N 2 0 297.447 -0.077 20 0 CBADRP C[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@@H]1C[N@H+](C)CCN1C ZINC001336779114 888878395 /nfs/dbraw/zinc/87/83/95/888878395.db2.gz GSVPRZISMCISTH-ZNMIVQPWSA-N 2 0 284.448 -0.333 20 0 CBADRP C[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@H]1C[N@H+](C)CCN1C ZINC001336779112 888878869 /nfs/dbraw/zinc/87/88/69/888878869.db2.gz GSVPRZISMCISTH-RRFJBIMHSA-N 2 0 284.448 -0.333 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)NCC2([NH3+])CC2)CC1 ZINC001336829996 888894669 /nfs/dbraw/zinc/89/46/69/888894669.db2.gz FSOKKGGBTWXGPS-UHFFFAOYSA-N 2 0 283.420 -0.196 20 0 CBADRP C[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[C@@H]1C[NH3+] ZINC001336901740 888913290 /nfs/dbraw/zinc/91/32/90/888913290.db2.gz YVONJUMAQJVWAW-JCIQBVFBSA-N 2 0 252.362 -0.170 20 0 CBADRP [NH3+]CCCNC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001336905296 888915386 /nfs/dbraw/zinc/91/53/86/888915386.db2.gz DDZWIQFYSZUAAS-NSHDSACASA-N 2 0 270.377 -0.207 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001336908508 888916112 /nfs/dbraw/zinc/91/61/12/888916112.db2.gz NZQNLUDXVUNFAK-ZFWWWQNUSA-N 2 0 295.431 -0.277 20 0 CBADRP [NH3+]CC1(CCNC(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001336911247 888919748 /nfs/dbraw/zinc/91/97/48/888919748.db2.gz ZSJVJIAUFMZGFW-UHFFFAOYSA-N 2 0 269.393 -0.680 20 0 CBADRP CC1(C)CC[C@H](CNC(=O)N2CCNCC[NH2+]CC2)[NH2+]C1 ZINC001336923259 888923560 /nfs/dbraw/zinc/92/35/60/888923560.db2.gz RPRJQQRXDWYTGM-CYBMUJFWSA-N 2 0 297.447 -0.031 20 0 CBADRP CC1(C)CN(C(=O)NC[C@@H]2C[NH2+]CCO2)C[C@H]1[NH3+] ZINC001336923451 888923572 /nfs/dbraw/zinc/92/35/72/888923572.db2.gz PYAUPJJRHSFGEJ-VHSXEESVSA-N 2 0 256.350 -0.647 20 0 CBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCNCC[NH2+]CC1 ZINC001336934662 888926384 /nfs/dbraw/zinc/92/63/84/888926384.db2.gz PXUYCUYQVVPXBL-LBPRGKRZSA-N 2 0 281.404 -0.667 20 0 CBADRP CCO[C@@H](CNC(=O)N(C)C[C@H](C)[NH3+])C[NH+](C)C ZINC001336976432 888941006 /nfs/dbraw/zinc/94/10/06/888941006.db2.gz DBSBNCQJSDBMFX-QWRGUYRKSA-N 2 0 260.382 -0.058 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001336990794 888943985 /nfs/dbraw/zinc/94/39/85/888943985.db2.gz PLSGEGIXOBGTCW-NOOOWODRSA-N 2 0 268.361 -0.755 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC001337311941 888991727 /nfs/dbraw/zinc/99/17/27/888991727.db2.gz UWMMQNJRWBSDDN-LBPRGKRZSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001337323800 888994640 /nfs/dbraw/zinc/99/46/40/888994640.db2.gz PJNXYLHBZBIOFJ-WOPDTQHZSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@H]([NH2+]CCO)[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001448462510 913298905 /nfs/dbraw/zinc/29/89/05/913298905.db2.gz RRBIBMKCNZFLKL-QWHCGFSZSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC001337375541 888996821 /nfs/dbraw/zinc/99/68/21/888996821.db2.gz KFRCWYQRBBZBPV-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC001337441789 889012659 /nfs/dbraw/zinc/01/26/59/889012659.db2.gz USRUFOOIPNFGMT-CYDGBPFRSA-N 2 0 294.399 -0.417 20 0 CBADRP c1nnn([C@H]2CCC[NH2+]C2)c1CN1CC[NH2+]CC[NH2+]CC1 ZINC001337838998 889085797 /nfs/dbraw/zinc/08/57/97/889085797.db2.gz YYWASHLFQFFPKY-ZDUSSCGKSA-N 3 0 293.419 -0.803 20 0 CBADRP CCNC(=O)CN1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001337834022 889086984 /nfs/dbraw/zinc/08/69/84/889086984.db2.gz KEGKNMQJUXPMBW-TXEJJXNPSA-N 2 0 254.378 -0.523 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC1([NH3+])CC1 ZINC001338277870 889133074 /nfs/dbraw/zinc/13/30/74/889133074.db2.gz JNNQOSDJJAALHE-MNOVXSKESA-N 2 0 282.388 -0.417 20 0 CBADRP CN1CC[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1=O ZINC001338421461 889156891 /nfs/dbraw/zinc/15/68/91/889156891.db2.gz DGMCWBYDIFNXQR-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001448532271 913318069 /nfs/dbraw/zinc/31/80/69/913318069.db2.gz ZCRPWIFWINGSCE-YVECIDJPSA-N 2 0 296.415 -0.314 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)NCCN1CCC([NH3+])CC1 ZINC001338627510 889183974 /nfs/dbraw/zinc/18/39/74/889183974.db2.gz VESNADAQIOMBMM-JTQLQIEISA-N 2 0 257.382 -0.697 20 0 CBADRP [NH3+]C1(CNC(=O)N2CCNCC[NH2+]CC2)CCCCC1 ZINC001338627123 889184705 /nfs/dbraw/zinc/18/47/05/889184705.db2.gz ZESXBMQOPAICHO-UHFFFAOYSA-N 2 0 283.420 -0.148 20 0 CBADRP C[C@H]([NH3+])CNC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001338647694 889187291 /nfs/dbraw/zinc/18/72/91/889187291.db2.gz WPLKIJLQPCRCMK-RRKCRQDMSA-N 2 0 254.256 -0.135 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001338658454 889187491 /nfs/dbraw/zinc/18/74/91/889187491.db2.gz BUGIRMVVHIFKBB-AAEUAGOBSA-N 2 0 270.377 -0.336 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[C@]12CC[NH2+]C2 ZINC001338660181 889189656 /nfs/dbraw/zinc/18/96/56/889189656.db2.gz MMVGWNFRCXQMJV-DGCLKSJQSA-N 2 0 268.361 -0.488 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC001338721947 889196403 /nfs/dbraw/zinc/19/64/03/889196403.db2.gz VLVVDAJPOGSDRJ-OUAUKWLOSA-N 2 0 256.350 -0.517 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC001338721948 889196920 /nfs/dbraw/zinc/19/69/20/889196920.db2.gz VLVVDAJPOGSDRJ-VWYCJHECSA-N 2 0 256.350 -0.517 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001338758383 889200063 /nfs/dbraw/zinc/20/00/63/889200063.db2.gz FLMJXAQOPMSUTQ-HBNTYKKESA-N 2 0 256.350 -0.504 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001338767470 889202703 /nfs/dbraw/zinc/20/27/03/889202703.db2.gz WEHYFEVHWBZIDW-CKYFFXLPSA-N 2 0 258.366 -0.665 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@H]1CCC[NH2+]1 ZINC001339716158 889312836 /nfs/dbraw/zinc/31/28/36/889312836.db2.gz STTMCFPJQWCTSW-UTUOFQBUSA-N 2 0 252.362 -0.757 20 0 CBADRP C[C@@H](C(=O)Nc1ncccn1)N1CCNCC[NH2+]CC1 ZINC001339931953 889347870 /nfs/dbraw/zinc/34/78/70/889347870.db2.gz HEERRNAYJPJXMH-NSHDSACASA-N 2 0 278.360 -0.702 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCCC[NH+]1CCOCC1 ZINC001340042007 889368614 /nfs/dbraw/zinc/36/86/14/889368614.db2.gz RRMIMUYBUUBFHW-QWHCGFSZSA-N 2 0 287.404 -0.569 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001340041468 889369404 /nfs/dbraw/zinc/36/94/04/889369404.db2.gz KCVXLHOZIBXFBO-MBNYWOFBSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]([NH3+])CO)C1 ZINC001340041182 889369758 /nfs/dbraw/zinc/36/97/58/889369758.db2.gz GLRWYIRKZLBUNV-GRYCIOLGSA-N 2 0 257.378 -0.210 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CNCC[NH3+])C1 ZINC001340152522 889397586 /nfs/dbraw/zinc/39/75/86/889397586.db2.gz XLZJYLORWJIKJJ-GFCCVEGCSA-N 2 0 272.393 -0.992 20 0 CBADRP C[NH2+]C1CC(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC001340161614 889397533 /nfs/dbraw/zinc/39/75/33/889397533.db2.gz BVRVVFFYWNGKPC-BPCQOVAHSA-N 2 0 266.389 -0.510 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340165557 889402617 /nfs/dbraw/zinc/40/26/17/889402617.db2.gz UEIZFKVIMKYIOI-SECBINFHSA-N 2 0 254.334 -0.262 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001448659204 913342510 /nfs/dbraw/zinc/34/25/10/913342510.db2.gz QTSVPRQFRVXCOU-DGCLKSJQSA-N 2 0 296.415 -0.489 20 0 CBADRP [NH3+]CCNCC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001340231491 889410997 /nfs/dbraw/zinc/41/09/97/889410997.db2.gz AFHREZPOJVKOMA-LBPRGKRZSA-N 2 0 254.378 -0.521 20 0 CBADRP [NH3+]CCNCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001340231489 889411565 /nfs/dbraw/zinc/41/15/65/889411565.db2.gz AFHREZPOJVKOMA-GFCCVEGCSA-N 2 0 254.378 -0.521 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001340248235 889413333 /nfs/dbraw/zinc/41/33/33/889413333.db2.gz HRRSPHNBUUQXNQ-ZFWWWQNUSA-N 2 0 298.431 -0.757 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001340248234 889415553 /nfs/dbraw/zinc/41/55/53/889415553.db2.gz HRRSPHNBUUQXNQ-UKRRQHHQSA-N 2 0 298.431 -0.757 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001340298714 889419185 /nfs/dbraw/zinc/41/91/85/889419185.db2.gz XAEBDXXMLJWTKQ-OCCSQVGLSA-N 2 0 266.389 -0.508 20 0 CBADRP [NH3+][C@H](CO)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001340287093 889419374 /nfs/dbraw/zinc/41/93/74/889419374.db2.gz LOJHWUNSVXXSNL-CYZMBNFOSA-N 2 0 267.373 -0.219 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCN2C)C[C@@H]1C[NH3+] ZINC001340334897 889421791 /nfs/dbraw/zinc/42/17/91/889421791.db2.gz UWBIRJQXCOMVDN-WOPDTQHZSA-N 2 0 254.378 -0.667 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340312075 889423040 /nfs/dbraw/zinc/42/30/40/889423040.db2.gz LPAOQWXXTWRMMC-RKDXNWHRSA-N 2 0 254.334 -0.263 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C[C@H](O)C[NH2+]1 ZINC001340313138 889423230 /nfs/dbraw/zinc/42/32/30/889423230.db2.gz QGSMWSLVVRSVKR-QXFUBDJGSA-N 2 0 263.288 -0.787 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[C@H](O)C[NH3+])C1 ZINC001340356383 889425379 /nfs/dbraw/zinc/42/53/79/889425379.db2.gz BYZSYECQVYPAFD-SDDRHHMPSA-N 2 0 255.362 -0.361 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001340464219 889434272 /nfs/dbraw/zinc/43/42/72/889434272.db2.gz UMEXOJWWDMDCAC-IJLUTSLNSA-N 2 0 252.362 -0.757 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC001340465319 889436979 /nfs/dbraw/zinc/43/69/79/889436979.db2.gz YPUPZTWVFLVFNY-MFKMUULPSA-N 2 0 269.389 -0.054 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CC[N@@H+]1C ZINC001340473359 889437055 /nfs/dbraw/zinc/43/70/55/889437055.db2.gz PSCWFZYVTKTDMA-SDDRHHMPSA-N 2 0 267.373 -0.036 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH2+]CC1(C)C ZINC001340482919 889439380 /nfs/dbraw/zinc/43/93/80/889439380.db2.gz DIPJPFGDKJNOFN-RYUDHWBXSA-N 2 0 266.389 -0.415 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)CC(C)(C)C[NH3+] ZINC001340486479 889440408 /nfs/dbraw/zinc/44/04/08/889440408.db2.gz UQAGSMDDJVGJHF-VXGBXAGGSA-N 2 0 268.405 -0.182 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1[NH2+]CC12CCOCC2 ZINC001340529021 889441814 /nfs/dbraw/zinc/44/18/14/889441814.db2.gz INZUPCHELNROFD-VPOLOUISSA-N 2 0 251.330 -0.911 20 0 CBADRP [NH3+][C@@H](CNC(=O)[C@@H]1[NH2+]CC12CCOCC2)C1CC1 ZINC001340528986 889441850 /nfs/dbraw/zinc/44/18/50/889441850.db2.gz IJOLJAFTOYSEOY-QWRGUYRKSA-N 2 0 253.346 -0.392 20 0 CBADRP C[C@]1(C(=O)NCc2ccc(C[NH3+])cc2)C[C@@H](O)C[NH2+]1 ZINC001340534849 889444991 /nfs/dbraw/zinc/44/49/91/889444991.db2.gz VFRATYADCMJFHJ-TZMCWYRMSA-N 2 0 263.341 -0.126 20 0 CBADRP C[C@@]1(C(=O)N2CCC3(C[NH2+]C3)CC2)C[C@H](O)C[NH2+]1 ZINC001340574972 889449450 /nfs/dbraw/zinc/44/94/50/889449450.db2.gz XTXNRTZNEXRIHS-JQWIXIFHSA-N 2 0 253.346 -0.689 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC001340652989 889459933 /nfs/dbraw/zinc/45/99/33/889459933.db2.gz QAIDMGSOXWPMAX-NWDGAFQWSA-N 2 0 266.389 -0.319 20 0 CBADRP O=C(C1=CCC[NH2+]CC1)N1CCOC2(C[NH2+]C2)C1 ZINC001340676936 889464781 /nfs/dbraw/zinc/46/47/81/889464781.db2.gz NTJIETXFFFHMRO-UHFFFAOYSA-N 2 0 251.330 -0.503 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001340705267 889470289 /nfs/dbraw/zinc/47/02/89/889470289.db2.gz PGXDSMPSKQFKOI-GHMZBOCLSA-N 2 0 255.362 -0.585 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC001340731541 889474395 /nfs/dbraw/zinc/47/43/95/889474395.db2.gz YXXBGUPHOPYDBI-FPMFFAJLSA-N 2 0 266.389 -0.652 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001340794921 889487532 /nfs/dbraw/zinc/48/75/32/889487532.db2.gz AHZJPAJMGXQJCQ-RVMXOQNASA-N 2 0 269.389 -0.197 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H](O)C[NH2+]1 ZINC001340807112 889489121 /nfs/dbraw/zinc/48/91/21/889489121.db2.gz HHQVVQIDADSSSB-MPKXVKKWSA-N 2 0 267.373 -0.300 20 0 CBADRP C[C@H](CNC(=O)CNCC[NH3+])[N@@H+]1CCCC[C@H]1C ZINC001340807080 889489937 /nfs/dbraw/zinc/48/99/37/889489937.db2.gz GGCOTDJDROAWBY-VXGBXAGGSA-N 2 0 256.394 -0.086 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001340832837 889493410 /nfs/dbraw/zinc/49/34/10/889493410.db2.gz OCDWKGQDWFWHEG-AWEZNQCLSA-N 2 0 298.387 -0.421 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[C@@H](O)C[NH2+]1 ZINC001340843660 889495867 /nfs/dbraw/zinc/49/58/67/889495867.db2.gz JULZGRUGOSUEJX-YRGRVCCFSA-N 2 0 267.373 -0.204 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001340862876 889500257 /nfs/dbraw/zinc/50/02/57/889500257.db2.gz LJAYOFCGIPNMCF-PSEXLTFBSA-N 2 0 269.389 -0.054 20 0 CBADRP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001340865253 889500477 /nfs/dbraw/zinc/50/04/77/889500477.db2.gz GTCRVOROZWLQQT-NWDGAFQWSA-N 2 0 257.378 -0.053 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001340866834 889501002 /nfs/dbraw/zinc/50/10/02/889501002.db2.gz MICCKGZKBKBYQY-UPJWGTAASA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC001340863370 889501531 /nfs/dbraw/zinc/50/15/31/889501531.db2.gz RIKMJUGMHHOEAP-AIIUZBJTSA-N 2 0 255.362 -0.419 20 0 CBADRP CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001340893931 889507664 /nfs/dbraw/zinc/50/76/64/889507664.db2.gz LWEOJSGRPJHTGE-NEPJUHHUSA-N 2 0 254.378 -0.510 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC[NH2+]C1 ZINC001340905312 889510777 /nfs/dbraw/zinc/51/07/77/889510777.db2.gz RZCFESKZMYEGNG-MDZLAQPJSA-N 2 0 255.362 -0.416 20 0 CBADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C[C@H](O)C[NH3+])C1 ZINC001340916421 889512945 /nfs/dbraw/zinc/51/29/45/889512945.db2.gz KOQVMEYHGNXJPV-GXFFZTMASA-N 2 0 257.378 -0.080 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCC(CO)CC2)CC[NH2+]1 ZINC001340922035 889512990 /nfs/dbraw/zinc/51/29/90/889512990.db2.gz KAZFHCZLXBHQBD-DGCLKSJQSA-N 2 0 269.389 -0.053 20 0 CBADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C[C@@H](O)C[NH3+])C1 ZINC001340916423 889513099 /nfs/dbraw/zinc/51/30/99/889513099.db2.gz KOQVMEYHGNXJPV-MFKMUULPSA-N 2 0 257.378 -0.080 20 0 CBADRP C[C@@H](NC(=O)C[C@]1(O)CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001340916365 889513963 /nfs/dbraw/zinc/51/39/63/889513963.db2.gz JXOZVYKTUMRLCE-BXUZGUMPSA-N 2 0 269.389 -0.005 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@@H]1CCC[NH2+]CC1 ZINC001340917141 889514410 /nfs/dbraw/zinc/51/44/10/889514410.db2.gz XMKIFWGWQLQOGN-YPMHNXCESA-N 2 0 255.362 -0.251 20 0 CBADRP CC[C@]1(C(=O)NCCN2CCC([NH3+])CC2)CC[NH2+]C1 ZINC001340941927 889519004 /nfs/dbraw/zinc/51/90/04/889519004.db2.gz FQQOWDYADGIFSI-AWEZNQCLSA-N 2 0 268.405 -0.085 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC001340942215 889520700 /nfs/dbraw/zinc/52/07/00/889520700.db2.gz BKKFVUJKRWPACY-RNFRBKRXSA-N 2 0 251.277 -0.802 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)[C@H](C)C[NH3+])C2 ZINC001341025872 889533628 /nfs/dbraw/zinc/53/36/28/889533628.db2.gz PGYSOVOYDRZJGH-COMAGPEQSA-N 2 0 269.345 -0.680 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCCN1CCC([NH3+])CC1 ZINC001341055644 889535719 /nfs/dbraw/zinc/53/57/19/889535719.db2.gz DTJAXNIBDFDGNE-GFCCVEGCSA-N 2 0 268.405 -0.229 20 0 CBADRP [NH3+][C@@H](CC1CC1)C(=O)NCCN1CCC([NH3+])CC1 ZINC001341056989 889536319 /nfs/dbraw/zinc/53/63/19/889536319.db2.gz RNCHYZGBBQFMNZ-LBPRGKRZSA-N 2 0 254.378 -0.347 20 0 CBADRP O=C(NCCCCCN1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC001341083227 889539494 /nfs/dbraw/zinc/53/94/94/889539494.db2.gz USABXZDFTRXVTE-ZDUSSCGKSA-N 2 0 268.405 -0.070 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001341065074 889539627 /nfs/dbraw/zinc/53/96/27/889539627.db2.gz WCUGJWMVUSNWRQ-VHSXEESVSA-N 2 0 254.334 -0.310 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)N2CCNCC[NH2+]CC2)CCOCC1 ZINC001341098932 889541546 /nfs/dbraw/zinc/54/15/46/889541546.db2.gz ARXAWJGVWQWHSD-LBPRGKRZSA-N 2 0 284.404 -0.848 20 0 CBADRP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCNCC[NH2+]CC1 ZINC001341107033 889544178 /nfs/dbraw/zinc/54/41/78/889544178.db2.gz BSFUMOZSTFQCFE-OAHLLOKOSA-N 2 0 288.395 -0.278 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC[C@]([NH3+])(CO)C2)C1(F)F ZINC001341116442 889545227 /nfs/dbraw/zinc/54/52/27/889545227.db2.gz PHXMZOIFQDYHHD-NQMVMOMDSA-N 2 0 263.288 -0.861 20 0 CBADRP CCO[C@H](CNC(=O)[C@@H]1C[NH2+]CCO1)C[NH+](C)C ZINC001341172544 889553278 /nfs/dbraw/zinc/55/32/78/889553278.db2.gz KQBHMZJVARFQEG-MNOVXSKESA-N 2 0 259.350 -0.942 20 0 CBADRP O=C([C@H]1CCCCC[NH2+]1)N1CCNCC[NH2+]CC1 ZINC001341223438 889559385 /nfs/dbraw/zinc/55/93/85/889559385.db2.gz UIAGXTRKQJZSSH-GFCCVEGCSA-N 2 0 254.378 -0.460 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001341221061 889559581 /nfs/dbraw/zinc/55/95/81/889559581.db2.gz FRSHJZKWESZPTE-RYUDHWBXSA-N 2 0 254.378 -0.604 20 0 CBADRP C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+][C@H]1CCNC1=O ZINC001448721418 913358606 /nfs/dbraw/zinc/35/86/06/913358606.db2.gz RXBXDMOHOWVNPT-YPMHNXCESA-N 2 0 296.415 -0.347 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC001341238312 889561454 /nfs/dbraw/zinc/56/14/54/889561454.db2.gz JMORXDYYVYQTIW-YPMHNXCESA-N 2 0 255.362 -0.169 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC001341250216 889565662 /nfs/dbraw/zinc/56/56/62/889565662.db2.gz KNXDOQHVWFBSCC-DYEKYZERSA-N 2 0 269.389 -0.066 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)C1 ZINC001341243644 889566086 /nfs/dbraw/zinc/56/60/86/889566086.db2.gz IOEYXPSZSNFECI-YNEHKIRRSA-N 2 0 266.389 -0.415 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC[C@@H]1C[NH3+] ZINC001341250948 889566126 /nfs/dbraw/zinc/56/61/26/889566126.db2.gz QDJRZFUSIJEZDH-DCQANWLSSA-N 2 0 255.362 -0.457 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC[C@@H]1C[NH3+] ZINC001341250622 889566603 /nfs/dbraw/zinc/56/66/03/889566603.db2.gz NEUKFOWAOACIAG-DDHJBXDOSA-N 2 0 255.362 -0.207 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1[NH2+]CC12CCCC2 ZINC001341294431 889571446 /nfs/dbraw/zinc/57/14/46/889571446.db2.gz YVCVIQANTTUBTK-GHMZBOCLSA-N 2 0 253.346 -0.377 20 0 CBADRP [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)CN1CC[NH2+]CC1 ZINC001341335837 889577603 /nfs/dbraw/zinc/57/76/03/889577603.db2.gz OVHACAUPKORZBX-OCCSQVGLSA-N 2 0 266.389 -0.379 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH2+]C1CC1 ZINC001341354086 889580648 /nfs/dbraw/zinc/58/06/48/889580648.db2.gz PTLKCUUZEBZEMY-CMPLNLGQSA-N 2 0 252.362 -0.757 20 0 CBADRP CN1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC[N@H+](C)CC1 ZINC001341395642 889589947 /nfs/dbraw/zinc/58/99/47/889589947.db2.gz VHRMECXTABFHKE-CQSZACIVSA-N 2 0 268.405 -0.308 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)N[C@H]2C[C@H](C[NH3+])C2)n1 ZINC001341447074 889597616 /nfs/dbraw/zinc/59/76/16/889597616.db2.gz BEMAOWOTSIAKBQ-MGCOHNPYSA-N 2 0 251.334 -0.301 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC001341467507 889600985 /nfs/dbraw/zinc/60/09/85/889600985.db2.gz IDHBPKDUVZUEHF-ZYHUDNBSSA-N 2 0 259.325 -0.475 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001341512896 889612046 /nfs/dbraw/zinc/61/20/46/889612046.db2.gz ACGXRGHVUXGGQV-BREBYQMCSA-N 2 0 266.345 -0.772 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC001341560079 889622652 /nfs/dbraw/zinc/62/26/52/889622652.db2.gz QVYNOJOPJVQXEG-OPRDCNLKSA-N 2 0 263.345 -0.046 20 0 CBADRP C[C@H](CC(=O)N1CC[NH2+]C[C@@H]1CO)[C@H]1CCC[NH2+]C1 ZINC001341579939 889625685 /nfs/dbraw/zinc/62/56/85/889625685.db2.gz MKPQRCQSOXZCLL-FRRDWIJNSA-N 2 0 269.389 -0.195 20 0 CBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CNCC[NH3+] ZINC001341620088 889635278 /nfs/dbraw/zinc/63/52/78/889635278.db2.gz SBRFMAVTHKADIH-GFCCVEGCSA-N 2 0 256.394 -0.133 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001341630270 889636437 /nfs/dbraw/zinc/63/64/37/889636437.db2.gz AYLWLKXJDNJQEI-MFKMUULPSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1CC2(C1)C[C@H]([NH3+])CCO2 ZINC001341638131 889637855 /nfs/dbraw/zinc/63/78/55/889637855.db2.gz OAGCQXMINIPWEN-BCXZHAGTSA-N 2 0 267.373 -0.003 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001341652506 889639307 /nfs/dbraw/zinc/63/93/07/889639307.db2.gz NWUZHWZUVDNXMO-MNOVXSKESA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H](CNC(=O)C1(C[NH3+])CC(O)C1)C[NH+]1CCCC1 ZINC001341658215 889642700 /nfs/dbraw/zinc/64/27/00/889642700.db2.gz GMXUNBCGPWMHEV-DCBWTQNWSA-N 2 0 269.389 -0.066 20 0 CBADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001341664949 889643107 /nfs/dbraw/zinc/64/31/07/889643107.db2.gz HRQDVBKLYIGKMQ-RISCZKNCSA-N 2 0 282.388 -0.619 20 0 CBADRP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC001341672300 889645052 /nfs/dbraw/zinc/64/50/52/889645052.db2.gz CUYOETAQIMEBDM-STQMWFEESA-N 2 0 268.405 -0.262 20 0 CBADRP CN1CCC([NH+]2CCC(NC(=O)CON)CC2)CC1 ZINC001341677562 889645443 /nfs/dbraw/zinc/64/54/43/889645443.db2.gz OVRDFXXHAQEUFU-UHFFFAOYSA-N 2 0 270.377 -0.449 20 0 CBADRP C[N@@H+]1CCC[C@@H](CNC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001341677633 889646172 /nfs/dbraw/zinc/64/61/72/889646172.db2.gz QVFMNCJKANXPNG-JSGCOSHPSA-N 2 0 269.389 -0.051 20 0 CBADRP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC001341672298 889646210 /nfs/dbraw/zinc/64/62/10/889646210.db2.gz CUYOETAQIMEBDM-OLZOCXBDSA-N 2 0 268.405 -0.262 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001341708182 889651366 /nfs/dbraw/zinc/65/13/66/889651366.db2.gz HEKHLAQTGOGDJX-RKDXNWHRSA-N 2 0 283.294 -0.040 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCC1=CC[NH2+]CC1 ZINC001341749368 889657280 /nfs/dbraw/zinc/65/72/80/889657280.db2.gz BBLKSAVACZEWAQ-ZDUSSCGKSA-N 2 0 282.388 -0.488 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001341777545 889660427 /nfs/dbraw/zinc/66/04/27/889660427.db2.gz JPEUBCZEJIQZDT-MXWKQRLJSA-N 2 0 269.345 -0.523 20 0 CBADRP CC(C)[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCN2C)CC[NH2+]1 ZINC001341763739 889660722 /nfs/dbraw/zinc/66/07/22/889660722.db2.gz FXKLUPZNDMSMDW-NEPJUHHUSA-N 2 0 254.378 -0.654 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001341763555 889661449 /nfs/dbraw/zinc/66/14/49/889661449.db2.gz FERKXJMUGONKQX-IJLUTSLNSA-N 2 0 254.378 -0.511 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001341798275 889666506 /nfs/dbraw/zinc/66/65/06/889666506.db2.gz OLVJLBOODDDNPW-GRYCIOLGSA-N 2 0 255.362 -0.456 20 0 CBADRP [NH3+]C1(C(=O)N2CCC(OC3C[NH2+]C3)CC2)CCC1 ZINC001341808069 889666696 /nfs/dbraw/zinc/66/66/96/889666696.db2.gz LVBAVXGIFZOGMP-UHFFFAOYSA-N 2 0 253.346 -0.153 20 0 CBADRP CCO[C@H](CNC(=O)[C@H]([NH3+])CCOC)C[NH+](C)C ZINC001341798378 889666765 /nfs/dbraw/zinc/66/67/65/889666765.db2.gz XJLZUTQRSNQVQW-GHMZBOCLSA-N 2 0 261.366 -0.567 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC[N@@H+]1C ZINC001341856291 889676246 /nfs/dbraw/zinc/67/62/46/889676246.db2.gz BMFBCOPVMUGVIA-WZRBSPASSA-N 2 0 255.362 -0.361 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@H](CC[NH3+])C1 ZINC001341873584 889676530 /nfs/dbraw/zinc/67/65/30/889676530.db2.gz VCAVHPIDGDHAGR-VHSXEESVSA-N 2 0 257.334 -0.536 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001341873582 889676738 /nfs/dbraw/zinc/67/67/38/889676738.db2.gz VCAVHPIDGDHAGR-NXEZZACHSA-N 2 0 257.334 -0.536 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]([NH3+])CO)CC1 ZINC001341956809 889689023 /nfs/dbraw/zinc/68/90/23/889689023.db2.gz CUMDBMIXSCUZFY-GHMZBOCLSA-N 2 0 255.362 -0.457 20 0 CBADRP C[NH2+]C1CC(C(=O)N2CCC3(CC2)C[NH2+]CCO3)C1 ZINC001341951861 889689585 /nfs/dbraw/zinc/68/95/85/889689585.db2.gz UDSPBXFEOOIILW-UHFFFAOYSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001341977746 889691041 /nfs/dbraw/zinc/69/10/41/889691041.db2.gz MXBYJKFKEYECFW-VLRZJISNSA-N 2 0 253.346 -0.264 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001341983075 889694339 /nfs/dbraw/zinc/69/43/39/889694339.db2.gz OEGDBOAUXBOTPO-FVCCEPFGSA-N 2 0 266.389 -0.382 20 0 CBADRP CC(C)(C[NH3+])C1CCN(C(=O)C[C@@H](O)C[NH3+])CC1 ZINC001342045679 889703154 /nfs/dbraw/zinc/70/31/54/889703154.db2.gz VSELLCBXSBPCCH-LLVKDONJSA-N 2 0 257.378 -0.080 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@@H]([NH3+])C(C)(C)O)CC1 ZINC001342053445 889705884 /nfs/dbraw/zinc/70/58/84/889705884.db2.gz XFIGUOIESQVLKD-LLVKDONJSA-N 2 0 273.377 -0.688 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC001342108911 889710476 /nfs/dbraw/zinc/71/04/76/889710476.db2.gz OLEQIYMHWIYQFS-JTQLQIEISA-N 2 0 263.345 -0.217 20 0 CBADRP [NH3+]C[C@H](O)CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC001342151450 889720762 /nfs/dbraw/zinc/72/07/62/889720762.db2.gz ZYILSYUUALVKEX-NSHDSACASA-N 2 0 266.345 -0.538 20 0 CBADRP CCN(C(=O)[C@@H](N)CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001342171690 889722415 /nfs/dbraw/zinc/72/24/15/889722415.db2.gz GJAUDDSARWPIKH-RYUDHWBXSA-N 2 0 256.394 -0.134 20 0 CBADRP COC1(C(=O)N2CCN(C)CC[N@H+](C)CC2)CC[NH2+]CC1 ZINC001342157095 889723024 /nfs/dbraw/zinc/72/30/24/889723024.db2.gz SVCVRWRCXNAFAW-UHFFFAOYSA-N 2 0 298.431 -0.539 20 0 CBADRP CCN(C(=O)[C@H](N)CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001342171692 889723567 /nfs/dbraw/zinc/72/35/67/889723567.db2.gz GJAUDDSARWPIKH-VXGBXAGGSA-N 2 0 256.394 -0.134 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@H]1C[NH2+]CC12CC2 ZINC001342200455 889730557 /nfs/dbraw/zinc/73/05/57/889730557.db2.gz IGSPAFRFEWBHSR-QWRGUYRKSA-N 2 0 253.346 -0.377 20 0 CBADRP COC[C@@]1(C(=O)N[C@H]2C[C@H](C[NH3+])C2)CCCC[NH2+]1 ZINC001342213194 889731597 /nfs/dbraw/zinc/73/15/97/889731597.db2.gz NNNBWFSMGCRTLN-NQBHXWOUSA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H](O)C[NH3+])c1 ZINC001342235918 889735297 /nfs/dbraw/zinc/73/52/97/889735297.db2.gz ORHXFOBSPAUIKS-GFCCVEGCSA-N 2 0 251.330 -0.202 20 0 CBADRP CC(C)C[NH2+]CC(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001342246423 889737771 /nfs/dbraw/zinc/73/77/71/889737771.db2.gz BVRODFLIOUEXJX-GFCCVEGCSA-N 2 0 257.378 -0.195 20 0 CBADRP O=C(C[NH2+]CC1CC1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001342250314 889739131 /nfs/dbraw/zinc/73/91/31/889739131.db2.gz OZJZVOMFHIUDSB-LBPRGKRZSA-N 2 0 255.362 -0.441 20 0 CBADRP O=C(C[NH2+]CC1CC1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001342250313 889739461 /nfs/dbraw/zinc/73/94/61/889739461.db2.gz OZJZVOMFHIUDSB-GFCCVEGCSA-N 2 0 255.362 -0.441 20 0 CBADRP C[C@]1(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C[C@@H](O)C[NH2+]1 ZINC001342286246 889747567 /nfs/dbraw/zinc/74/75/67/889747567.db2.gz URLVJJHMLNIFAW-YGNMPJRFSA-N 2 0 253.346 -0.561 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC001342296312 889749342 /nfs/dbraw/zinc/74/93/42/889749342.db2.gz RXTOEMOGKPSGDI-HBNTYKKESA-N 2 0 255.362 -0.193 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)C1CC[NH2+]CC1 ZINC001342306753 889749906 /nfs/dbraw/zinc/74/99/06/889749906.db2.gz KYZIRKSAJHAGBM-YPMHNXCESA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCOCC1 ZINC001342365760 889761284 /nfs/dbraw/zinc/76/12/84/889761284.db2.gz ZAVLNHNKIFRXKV-DCAQKATOSA-N 2 0 253.346 -0.297 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC001342373713 889765369 /nfs/dbraw/zinc/76/53/69/889765369.db2.gz IMOSHXUIWRLVCZ-RYUDHWBXSA-N 2 0 268.405 -0.216 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC001342373711 889765459 /nfs/dbraw/zinc/76/54/59/889765459.db2.gz IMOSHXUIWRLVCZ-NWDGAFQWSA-N 2 0 268.405 -0.216 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001342414202 889769397 /nfs/dbraw/zinc/76/93/97/889769397.db2.gz CSSLRLVGLGOIKX-KKOKHZNYSA-N 2 0 252.362 -0.901 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]C[C@H]2CO)C1 ZINC001342441120 889775702 /nfs/dbraw/zinc/77/57/02/889775702.db2.gz ULXAIZSMKUBBIA-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)C2=CCC[NH2+]CC2)CC1 ZINC001342461418 889781662 /nfs/dbraw/zinc/78/16/62/889781662.db2.gz HQDZFEDBWYINBD-UHFFFAOYSA-N 2 0 266.389 -0.165 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001342476294 889781918 /nfs/dbraw/zinc/78/19/18/889781918.db2.gz MYPPUUYRJSFCSX-XLPZGREQSA-N 2 0 269.267 -0.302 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCN1CCC([NH3+])CC1 ZINC001342462147 889782427 /nfs/dbraw/zinc/78/24/27/889782427.db2.gz PUOBNECXCBLEDZ-CMPLNLGQSA-N 2 0 254.378 -0.476 20 0 CBADRP CC1(C)CN(C(=O)C[NH2+]C[C@@H]2CCCO2)C[C@H]1[NH3+] ZINC001342507421 889787275 /nfs/dbraw/zinc/78/72/75/889787275.db2.gz YURXQBQOCUDOCP-WDEREUQCSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001342525682 889789527 /nfs/dbraw/zinc/78/95/27/889789527.db2.gz YJWWKIKDWCOHGI-WTBMIXGQSA-N 2 0 269.345 -0.537 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@]2(O)CCC[NH2+]C2)C[C@H]1CC[NH3+] ZINC001342522750 889789891 /nfs/dbraw/zinc/78/98/91/889789891.db2.gz IUBHLKISRMZMMS-YRGRVCCFSA-N 2 0 269.389 -0.066 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC001342572021 889794447 /nfs/dbraw/zinc/79/44/47/889794447.db2.gz HNYBOOWRBVHTQZ-OPQQBVKSSA-N 2 0 255.362 -0.051 20 0 CBADRP CC1(C)CN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)C[C@@H]1[NH3+] ZINC001342575575 889794799 /nfs/dbraw/zinc/79/47/99/889794799.db2.gz WKCMWQVAVIOUGS-QWRGUYRKSA-N 2 0 267.373 -0.049 20 0 CBADRP CC1(C)CN(C(=O)[C@H]2[NH2+]CC23CCOCC3)C[C@H]1[NH3+] ZINC001342575559 889794961 /nfs/dbraw/zinc/79/49/61/889794961.db2.gz WKCMWQVAVIOUGS-GHMZBOCLSA-N 2 0 267.373 -0.049 20 0 CBADRP COCC[C@H]([NH3+])C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001342583131 889795442 /nfs/dbraw/zinc/79/54/42/889795442.db2.gz JIRIOLLMROHTRE-DMDPSCGWSA-N 2 0 255.362 -0.001 20 0 CBADRP CC1(C)CN(C(=O)[C@H]2[NH2+]CC23CCOCC3)C[C@@H]1[NH3+] ZINC001342575580 889795612 /nfs/dbraw/zinc/79/56/12/889795612.db2.gz WKCMWQVAVIOUGS-WDEREUQCSA-N 2 0 267.373 -0.049 20 0 CBADRP CCO[C@H](CNC(=O)C12CC(C1)C[NH2+]2)C[NH+](C)C ZINC001342667117 889812620 /nfs/dbraw/zinc/81/26/20/889812620.db2.gz XLSDSHHPVURUSP-QWKFWESOSA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001342688808 889815053 /nfs/dbraw/zinc/81/50/53/889815053.db2.gz DINQWGPYLJRZDX-UWVGGRQHSA-N 2 0 269.345 -0.617 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001342679233 889815130 /nfs/dbraw/zinc/81/51/30/889815130.db2.gz NDGJZVMPRLXQPQ-GIPNMCIBSA-N 2 0 255.362 -0.267 20 0 CBADRP O=C(C[NH2+]C1CC1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001342695839 889818217 /nfs/dbraw/zinc/81/82/17/889818217.db2.gz KYCQKSNHXLXLFW-STQMWFEESA-N 2 0 267.373 -0.204 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC001342724396 889822100 /nfs/dbraw/zinc/82/21/00/889822100.db2.gz WUZLKAHWKGEKDY-MDZLAQPJSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001342736420 889823226 /nfs/dbraw/zinc/82/32/26/889823226.db2.gz GFCAWYCNSCQVDE-LBPRGKRZSA-N 2 0 269.389 -0.112 20 0 CBADRP C[C@@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)CC[C@@H]1C[NH3+] ZINC001342738233 889824180 /nfs/dbraw/zinc/82/41/80/889824180.db2.gz KRKDVFFRHLUWRI-BBBLOLIVSA-N 2 0 254.334 -0.467 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)N2CC[N@@H+]3CC[C@H]2C3)n1 ZINC001342901140 889842557 /nfs/dbraw/zinc/84/25/57/889842557.db2.gz DIBAJOLHJGNKGR-NSHDSACASA-N 2 0 263.345 -0.238 20 0 CBADRP CN1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC[N@H+](C)CC1 ZINC001342912977 889845534 /nfs/dbraw/zinc/84/55/34/889845534.db2.gz HDIXIOOPYXVLNI-AWEZNQCLSA-N 2 0 298.431 -0.539 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001342940533 889848165 /nfs/dbraw/zinc/84/81/65/889848165.db2.gz FYRWXIVUNOFTSC-SGIHWFKDSA-N 2 0 255.318 -0.724 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001342994128 889850958 /nfs/dbraw/zinc/85/09/58/889850958.db2.gz LUGYUBLNTBPOLH-ZJQBRPOHSA-N 2 0 269.389 -0.387 20 0 CBADRP [NH3+]CC1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001343022576 889855129 /nfs/dbraw/zinc/85/51/29/889855129.db2.gz QHFILVOXYDDDSB-UHFFFAOYSA-N 2 0 269.389 -0.112 20 0 CBADRP [NH3+]CCn1cc(C(=O)NC[C@@H]2CCCCC[NH2+]2)nn1 ZINC001343069402 889863885 /nfs/dbraw/zinc/86/38/85/889863885.db2.gz DSTAEOKYYGIQLE-JTQLQIEISA-N 2 0 266.349 -0.501 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@H]2[NH2+]CC23CCCC3)CC1 ZINC001343097757 889868242 /nfs/dbraw/zinc/86/82/42/889868242.db2.gz JAXHFSZUSHYBLA-LLVKDONJSA-N 2 0 267.373 -0.169 20 0 CBADRP CC(C)C[NH+]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)O)CC1 ZINC001343354738 889892998 /nfs/dbraw/zinc/89/29/98/889892998.db2.gz TWUHXVHOWCYQFW-LLVKDONJSA-N 2 0 257.378 -0.115 20 0 CBADRP C[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC1 ZINC001343354215 889894495 /nfs/dbraw/zinc/89/44/95/889894495.db2.gz NYKRCNPDWJPHIZ-RISCZKNCSA-N 2 0 267.373 -0.177 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001343394435 889898586 /nfs/dbraw/zinc/89/85/86/889898586.db2.gz ZEMBQFDNPNOUBB-AAEUAGOBSA-N 2 0 255.362 -0.441 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC001343391928 889899130 /nfs/dbraw/zinc/89/91/30/889899130.db2.gz MGLGYZZQZDCARE-WCQYABFASA-N 2 0 269.389 -0.243 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H](C)[C@@H](O)C[NH2+]C)C1CC1 ZINC001343419653 889903071 /nfs/dbraw/zinc/90/30/71/889903071.db2.gz FVAZNQJASDCXMT-PWSUYJOCSA-N 2 0 257.378 -0.197 20 0 CBADRP [NH3+]CC1(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC(O)C1 ZINC001343423646 889907171 /nfs/dbraw/zinc/90/71/71/889907171.db2.gz MFOYJDMIEQJREK-LKSINWNRSA-N 2 0 267.373 -0.313 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001343489045 889921593 /nfs/dbraw/zinc/92/15/93/889921593.db2.gz IWUQSTXEMCZBRW-UTUOFQBUSA-N 2 0 256.394 -0.265 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC001343451222 889912914 /nfs/dbraw/zinc/91/29/14/889912914.db2.gz BFQSCZKRJRQQNE-YNEHKIRRSA-N 2 0 268.405 -0.277 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC001343474676 889915369 /nfs/dbraw/zinc/91/53/69/889915369.db2.gz XLVFXGKPVHQWRV-QNWHQSFQSA-N 2 0 267.373 -0.219 20 0 CBADRP [NH3+][C@@H]1CCCn2nc(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc21 ZINC001343505883 889926665 /nfs/dbraw/zinc/92/66/65/889926665.db2.gz BKQSXLVETZCNBX-SREGZZRCSA-N 2 0 261.329 -0.376 20 0 CBADRP C[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)[C@@H]1C[N@H+](C)CCN1C ZINC001343582904 889935175 /nfs/dbraw/zinc/93/51/75/889935175.db2.gz MLNWKQHHRIODJG-OBJOEFQTSA-N 2 0 268.405 -0.264 20 0 CBADRP C[NH+](C)CCOCCNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001343578341 889935470 /nfs/dbraw/zinc/93/54/70/889935470.db2.gz UXVIBNDBSWFKIW-CQSZACIVSA-N 2 0 298.387 -0.421 20 0 CBADRP C[C@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])[C@@H]1C[N@H+](C)CCN1C ZINC001343581791 889935583 /nfs/dbraw/zinc/93/55/83/889935583.db2.gz FMADLHMMOUVWQS-QCNOEVLYSA-N 2 0 254.378 -0.668 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CC[NH2+]CC3)[C@@H]2C1 ZINC001343592654 889938149 /nfs/dbraw/zinc/93/81/49/889938149.db2.gz PIBCLQWRCVQQLC-XQQFMLRXSA-N 2 0 266.389 -0.652 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@@H]2CCC[NH2+]CC2)=NO1 ZINC001343628672 889942173 /nfs/dbraw/zinc/94/21/73/889942173.db2.gz NEWJTXADXVHWEX-ZJUUUORDSA-N 2 0 254.334 -0.404 20 0 CBADRP CN(C(=O)c1cn(CCCC[NH3+])nn1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001343654959 889945015 /nfs/dbraw/zinc/94/50/15/889945015.db2.gz KMKDXUMUGMWFIF-IAZYJMLFSA-N 2 0 278.360 -0.693 20 0 CBADRP CSCC[C@H]([NH3+])CC(=O)NC[C@H]1C[NH2+]CCO1 ZINC001343672150 889947365 /nfs/dbraw/zinc/94/73/65/889947365.db2.gz IRQDHQQTRUMAEV-VHSXEESVSA-N 2 0 261.391 -0.439 20 0 CBADRP [NH3+]CCNCC(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC001343682587 889947047 /nfs/dbraw/zinc/94/70/47/889947047.db2.gz DARQCZRPKZLINT-KGLIPLIRSA-N 2 0 276.384 -0.264 20 0 CBADRP [NH3+][C@H]1C[C@H](NC(=O)C2=NOC3(C2)CC[NH2+]CC3)C1 ZINC001343697352 889949490 /nfs/dbraw/zinc/94/94/90/889949490.db2.gz JBQHRBHUMZUYKD-KYZUINATSA-N 2 0 252.318 -0.509 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001343713564 889952301 /nfs/dbraw/zinc/95/23/01/889952301.db2.gz GWKPLBPTGUKWNX-VXGBXAGGSA-N 2 0 254.378 -0.604 20 0 CBADRP CCN(C(=O)C1=NO[C@H](C[NH3+])C1)C1CC[NH2+]CC1 ZINC001343731383 889959609 /nfs/dbraw/zinc/95/96/09/889959609.db2.gz ILSDLJGSSFOHMK-JTQLQIEISA-N 2 0 254.334 -0.310 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)NCCC2CC[NH2+]CC2)C1=O ZINC001343932375 889981033 /nfs/dbraw/zinc/98/10/33/889981033.db2.gz HVRVMZDQAVNVHH-CYBMUJFWSA-N 2 0 296.415 -0.310 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001344012007 889989453 /nfs/dbraw/zinc/98/94/53/889989453.db2.gz SLSLYKSCFUECQJ-QIOFFNHISA-N 2 0 265.357 -0.355 20 0 CBADRP [NH3+]C1(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CC2(CCC2)C1 ZINC001344011604 889989476 /nfs/dbraw/zinc/98/94/76/889989476.db2.gz OUHSMJAWHWDVSM-SNVBAGLBSA-N 2 0 265.357 -0.105 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)C1 ZINC001344010950 889990899 /nfs/dbraw/zinc/99/08/99/889990899.db2.gz HHUQSMMUHORRNV-OUAUKWLOSA-N 2 0 253.346 -0.378 20 0 CBADRP [NH3+]C1(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CC2(CCC2)C1 ZINC001344011601 889991324 /nfs/dbraw/zinc/99/13/24/889991324.db2.gz OUHSMJAWHWDVSM-JTQLQIEISA-N 2 0 265.357 -0.105 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC001344115968 890002710 /nfs/dbraw/zinc/00/27/10/890002710.db2.gz PZANCQGRUPGLEM-TUAOUCFPSA-N 2 0 257.378 -0.341 20 0 CBADRP [NH3+][C@@H](CC1CC1)C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001344373381 890018609 /nfs/dbraw/zinc/01/86/09/890018609.db2.gz FHNMCXTXBNSGOM-NEPJUHHUSA-N 2 0 255.362 -0.313 20 0 CBADRP [NH3+][C@H](CC(F)F)C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001344375012 890019363 /nfs/dbraw/zinc/01/93/63/890019363.db2.gz QLQYXERSPPFUKX-DTWKUNHWSA-N 2 0 265.304 -0.458 20 0 CBADRP [NH3+]CC1(NC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CCOCC1 ZINC001344358703 890019767 /nfs/dbraw/zinc/01/97/67/890019767.db2.gz ZHMUKDKVZWLFHM-VWYCJHECSA-N 2 0 253.346 -0.534 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@H]1[NH2+]CC12CCCC2 ZINC001344368357 890020282 /nfs/dbraw/zinc/02/02/82/890020282.db2.gz JENCKFCJBYPCJO-LLVKDONJSA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC001344386084 890020885 /nfs/dbraw/zinc/02/08/85/890020885.db2.gz DEBPMXIREAPICX-CHWSQXEVSA-N 2 0 265.357 -0.232 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001344434824 890027475 /nfs/dbraw/zinc/02/74/75/890027475.db2.gz DWRCTMQJPGBPMQ-OUJBWJOFSA-N 2 0 266.345 -0.630 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001344504668 890032457 /nfs/dbraw/zinc/03/24/57/890032457.db2.gz HUROBEAVRCJPCB-GBIKHYSHSA-N 2 0 269.345 -0.332 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N(CC[NH3+])CC(F)(F)F ZINC001344527141 890035176 /nfs/dbraw/zinc/03/51/76/890035176.db2.gz GFQATNOMLGWANM-MRVPVSSYSA-N 2 0 268.283 -0.760 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)c1cn(CCC[NH3+])nn1 ZINC001344624829 890048242 /nfs/dbraw/zinc/04/82/42/890048242.db2.gz VIFUVMUUCPJQHF-ZJUUUORDSA-N 2 0 266.349 -0.788 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC001344747986 890058710 /nfs/dbraw/zinc/05/87/10/890058710.db2.gz PQWFKWZMRPBKSZ-WOPDTQHZSA-N 2 0 266.389 -0.430 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)CC[N@@H+]1C ZINC001344876740 890078183 /nfs/dbraw/zinc/07/81/83/890078183.db2.gz JMYHKLDHDBHZRJ-SCZZXKLOSA-N 2 0 263.345 -0.122 20 0 CBADRP C[NH2+]CCC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001344933099 890085295 /nfs/dbraw/zinc/08/52/95/890085295.db2.gz ZAOJVMGCMZHDEZ-SNVBAGLBSA-N 2 0 269.345 -0.603 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC001345058301 890091800 /nfs/dbraw/zinc/09/18/00/890091800.db2.gz XLXQKDZFOKSIJN-XQQFMLRXSA-N 2 0 294.399 -0.748 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC001345186367 890110529 /nfs/dbraw/zinc/11/05/29/890110529.db2.gz NUALURXEJTWZJT-WDEREUQCSA-N 2 0 284.404 -0.301 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001345380280 890123677 /nfs/dbraw/zinc/12/36/77/890123677.db2.gz HGTINMFMNVDVIN-ZWNOBZJWSA-N 2 0 255.362 -0.395 20 0 CBADRP CN1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC[N@H+](C)CC1 ZINC001345453710 890132573 /nfs/dbraw/zinc/13/25/73/890132573.db2.gz MNZSOXRQBQAVMC-IPYPFGDCSA-N 2 0 280.416 -0.180 20 0 CBADRP COCC[NH2+]CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001345780211 890164251 /nfs/dbraw/zinc/16/42/51/890164251.db2.gz BHRADKOIDOXFAH-ZDUSSCGKSA-N 2 0 299.415 -0.161 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)CC(C)(C)[NH3+])C[C@H]2[NH3+])cn1 ZINC001345904560 890177792 /nfs/dbraw/zinc/17/77/92/890177792.db2.gz QBESKWUYUWABBL-WDEREUQCSA-N 2 0 265.361 -0.199 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001346007160 890194340 /nfs/dbraw/zinc/19/43/40/890194340.db2.gz QFYDVPGTFYBZNP-GRYCIOLGSA-N 2 0 282.388 -0.879 20 0 CBADRP C[N@H+](CC(=O)N1CC[NH2+]CC1)C1CCC([NH3+])CC1 ZINC001346016602 890194743 /nfs/dbraw/zinc/19/47/43/890194743.db2.gz DGSXJEOTPJWQAQ-UHFFFAOYSA-N 2 0 254.378 -0.380 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N3CC[NH2+]CC3)C[C@@H]21 ZINC001346018226 890195704 /nfs/dbraw/zinc/19/57/04/890195704.db2.gz SRBIAISMOCNPRT-FRRDWIJNSA-N 2 0 266.389 -0.523 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)CC[C@@H]1[NH3+] ZINC001346047415 890204964 /nfs/dbraw/zinc/20/49/64/890204964.db2.gz FFVALDYNKARQOB-WOPDTQHZSA-N 2 0 267.373 -0.049 20 0 CBADRP [NH3+]CCCNC(=O)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC001346056949 890208391 /nfs/dbraw/zinc/20/83/91/890208391.db2.gz GHDAXSWCNUXPSJ-GRYCIOLGSA-N 2 0 255.362 -0.001 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCN1C[C@@H]2C ZINC001346173082 890229406 /nfs/dbraw/zinc/22/94/06/890229406.db2.gz KBGFAHUHGCAOKA-UONOGXRCSA-N 2 0 298.431 -0.541 20 0 CBADRP [NH3+]CCCC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001346208748 890239691 /nfs/dbraw/zinc/23/96/91/890239691.db2.gz BECIXIIUCXPCER-NWDGAFQWSA-N 2 0 255.362 -0.217 20 0 CBADRP C[C@@H](NC(=O)CC1([NH3+])CC1)[C@H]1C[N@H+](C)CCN1C ZINC001346228795 890240799 /nfs/dbraw/zinc/24/07/99/890240799.db2.gz MFYPAIMCXMAMTJ-GHMZBOCLSA-N 2 0 254.378 -0.382 20 0 CBADRP CN1CCN(C(=O)CCSCCC[NH3+])[C@@H](CO)C1 ZINC001346227559 890243016 /nfs/dbraw/zinc/24/30/16/890243016.db2.gz BIYSXILTJCUTAW-LLVKDONJSA-N 2 0 275.418 -0.407 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1C[N@H+](C)CCN1C ZINC001346228922 890246402 /nfs/dbraw/zinc/24/64/02/890246402.db2.gz OBQLAUZNPILTOB-SRVKXCTJSA-N 2 0 254.378 -0.511 20 0 CBADRP C[C@@H](CNC(=O)[C@H](N)CC[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC001346333140 890270796 /nfs/dbraw/zinc/27/07/96/890270796.db2.gz PGGIIHMNGUWGGE-UONOGXRCSA-N 2 0 299.463 -0.735 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(C[NH3+])CC(O)C3)[C@@H]2C1 ZINC001346384987 890279843 /nfs/dbraw/zinc/27/98/43/890279843.db2.gz LSQHNKNGDSJEOR-ARCGFLRYSA-N 2 0 267.373 -0.457 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])[C@H]2C1 ZINC001346386008 890280806 /nfs/dbraw/zinc/28/08/06/890280806.db2.gz YXXKEWVMSBNVFB-FPYNETTCSA-N 2 0 267.373 -0.193 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)NC[C@H]1CCC[NH2+]CC1 ZINC001346429733 890286736 /nfs/dbraw/zinc/28/67/36/890286736.db2.gz CPTBELGGBCQLKK-GXTWGEPZSA-N 2 0 269.389 -0.003 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001346430958 890290144 /nfs/dbraw/zinc/29/01/44/890290144.db2.gz UOZJJLWVSOXXQW-WOPDTQHZSA-N 2 0 255.362 -0.144 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)NC[C@@H]2CCC[NH2+]CC2)C1=O ZINC001346442130 890292564 /nfs/dbraw/zinc/29/25/64/890292564.db2.gz VQTAYLVSSLKSLL-CHWSQXEVSA-N 2 0 296.415 -0.310 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001346462605 890296597 /nfs/dbraw/zinc/29/65/97/890296597.db2.gz HVYPEORDRNVHAO-FRRDWIJNSA-N 2 0 281.404 -0.526 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC001346464104 890298664 /nfs/dbraw/zinc/29/86/64/890298664.db2.gz RWZXPNAHBURRQS-LBPRGKRZSA-N 2 0 269.393 -0.586 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC001346479904 890299945 /nfs/dbraw/zinc/29/99/45/890299945.db2.gz YGOFTVOZTKKTBS-WDEREUQCSA-N 2 0 256.350 -0.632 20 0 CBADRP CCO[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])C[NH+](C)C ZINC001346491883 890303242 /nfs/dbraw/zinc/30/32/42/890303242.db2.gz YUMIWDOKCRUSBW-OUAUKWLOSA-N 2 0 260.382 -0.012 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)NC/C=C\C[NH3+] ZINC001346491658 890304177 /nfs/dbraw/zinc/30/41/77/890304177.db2.gz WVFVHBPVIXOOEI-QUCGXOGASA-N 2 0 256.350 -0.479 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)NCCC(C)(C)[NH3+] ZINC001346537960 890317399 /nfs/dbraw/zinc/31/73/99/890317399.db2.gz MRYFZALORWRWSF-SNVBAGLBSA-N 2 0 258.366 -0.256 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001346684793 890339003 /nfs/dbraw/zinc/33/90/03/890339003.db2.gz FLMJXAQOPMSUTQ-OUAUKWLOSA-N 2 0 256.350 -0.504 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)nn1 ZINC001347157483 890418855 /nfs/dbraw/zinc/41/88/55/890418855.db2.gz MPHBEUCJIQRJOM-IUCAKERBSA-N 2 0 252.322 -0.764 20 0 CBADRP CC[C@@]1(C(=O)N2CCOC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001347182143 890428075 /nfs/dbraw/zinc/42/80/75/890428075.db2.gz YPJIQMISLYMECJ-GFCCVEGCSA-N 2 0 253.346 -0.423 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC001348308652 890592415 /nfs/dbraw/zinc/59/24/15/890592415.db2.gz OUUVQCNOHDALLQ-GMTAPVOTSA-N 2 0 268.361 -0.937 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC001348308625 890593370 /nfs/dbraw/zinc/59/33/70/890593370.db2.gz OUUVQCNOHDALLQ-GARJFASQSA-N 2 0 268.361 -0.937 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001348447131 890627049 /nfs/dbraw/zinc/62/70/49/890627049.db2.gz MIUYLIQCIPJKMS-QWRGUYRKSA-N 2 0 270.377 -0.798 20 0 CBADRP OCC[NH2+]C1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC001348562646 890650540 /nfs/dbraw/zinc/65/05/40/890650540.db2.gz MTMRBGKVDKQQIY-ZDUSSCGKSA-N 2 0 269.389 -0.446 20 0 CBADRP C[NH+]1CCN(C2CC[NH+](CCOCC[NH3+])CC2)CC1 ZINC001348563500 890651169 /nfs/dbraw/zinc/65/11/69/890651169.db2.gz RQEUWUWQZIAUSB-UHFFFAOYSA-N 3 0 270.421 -0.327 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001348575175 890653156 /nfs/dbraw/zinc/65/31/56/890653156.db2.gz WPMURBKSEDXUNX-AGIUHOORSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001348573549 890653986 /nfs/dbraw/zinc/65/39/86/890653986.db2.gz JNTVHECUEGHQPD-XQQFMLRXSA-N 2 0 298.431 -0.053 20 0 CBADRP COCC1(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC001348776802 890697606 /nfs/dbraw/zinc/69/76/06/890697606.db2.gz OYXYVLZVLSBNPK-XYPYZODXSA-N 2 0 255.362 -0.144 20 0 CBADRP O=C1NC2(CC[NH2+]CC2)C(=O)N1C[C@@H]1CC[NH2+]C1 ZINC001349109986 890760830 /nfs/dbraw/zinc/76/08/30/890760830.db2.gz DJHDOAHAHLJGIV-SECBINFHSA-N 2 0 252.318 -0.730 20 0 CBADRP C[NH2+]CCNC(=O)C1CCN(Cc2nccn2C)CC1 ZINC001349152095 890764357 /nfs/dbraw/zinc/76/43/57/890764357.db2.gz FTZIUXVKPMOUHU-UHFFFAOYSA-N 2 0 279.388 -0.032 20 0 CBADRP C[C@@H](CCO)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001349326245 890796110 /nfs/dbraw/zinc/79/61/10/890796110.db2.gz VHCAQSRRTRFEGW-KGLIPLIRSA-N 2 0 273.421 -0.407 20 0 CBADRP NC(=O)CN1CCC[C@@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC001349473011 890820446 /nfs/dbraw/zinc/82/04/46/890820446.db2.gz KXTHHEJQHWGWIU-LLVKDONJSA-N 2 0 268.361 -0.948 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC001349600435 890845869 /nfs/dbraw/zinc/84/58/69/890845869.db2.gz UKQPGATVVFXGAD-DCAQKATOSA-N 2 0 259.325 -0.571 20 0 CBADRP CN(CCOCC[NH3+])C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001349612980 890849447 /nfs/dbraw/zinc/84/94/47/890849447.db2.gz XMHMOEUCOOVPLO-NSHDSACASA-N 2 0 296.375 -0.750 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)=NO1 ZINC001349619896 890852171 /nfs/dbraw/zinc/85/21/71/890852171.db2.gz FHTGAWFMPPKFEZ-MKPLZMMCSA-N 2 0 252.318 -0.509 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001349808645 890893859 /nfs/dbraw/zinc/89/38/59/890893859.db2.gz QGNCMMPIPGHATG-CMPLNLGQSA-N 2 0 282.388 -0.560 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001349808164 890894197 /nfs/dbraw/zinc/89/41/97/890894197.db2.gz LUOYCIJOGLCDPM-LBPRGKRZSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H](NC(=O)C(=O)NCC[C@H](C)[NH3+])C(C)(C)C[NH+](C)C ZINC001349807188 890896191 /nfs/dbraw/zinc/89/61/91/890896191.db2.gz DEVOZZZMTDEAMT-WDEREUQCSA-N 2 0 286.420 -0.068 20 0 CBADRP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)COCC[NH3+] ZINC001349841891 890904995 /nfs/dbraw/zinc/90/49/95/890904995.db2.gz ZLPPPTDJFBGGDW-WCQGTBRESA-N 2 0 255.362 -0.146 20 0 CBADRP C[NH+]1CCC(CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC001350020722 890923906 /nfs/dbraw/zinc/92/39/06/890923906.db2.gz RCHORACBAGGKID-STQMWFEESA-N 2 0 294.399 -0.593 20 0 CBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001350058597 890930104 /nfs/dbraw/zinc/93/01/04/890930104.db2.gz PKBCVJATNBMPEW-RWMBFGLXSA-N 2 0 296.415 -0.312 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H](C)C[NH3+])CC1 ZINC001350323223 890963881 /nfs/dbraw/zinc/96/38/81/890963881.db2.gz OZPSFQILAWKDSI-LLVKDONJSA-N 2 0 299.419 -0.377 20 0 CBADRP C[C@H]([NH3+])CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001350397564 890976314 /nfs/dbraw/zinc/97/63/14/890976314.db2.gz IQRRRQMGYCPLQR-QMMMGPOBSA-N 2 0 252.322 -0.720 20 0 CBADRP C[C@@H](CCCC[NH3+])NC(=O)c1cn(CC[NH3+])nn1 ZINC001350398342 890976798 /nfs/dbraw/zinc/97/67/98/890976798.db2.gz NCAYBKOPPQFHLE-VIFPVBQESA-N 2 0 254.338 -0.516 20 0 CBADRP C[C@@H](NC(=O)c1cnnn1C1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC001350396617 890976839 /nfs/dbraw/zinc/97/68/39/890976839.db2.gz DPPGPQLHQBRRLZ-DTWKUNHWSA-N 2 0 266.349 -0.332 20 0 CBADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CC[NH2+]1 ZINC001350405073 890979879 /nfs/dbraw/zinc/97/98/79/890979879.db2.gz JBMRLHUSWHNFGY-NWDGAFQWSA-N 2 0 253.346 -0.282 20 0 CBADRP CN(CCC[NH3+])C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001350405545 890980593 /nfs/dbraw/zinc/98/05/93/890980593.db2.gz RHXXBQKNGXORPM-VIFPVBQESA-N 2 0 251.334 -0.093 20 0 CBADRP Cn1cc([C@@H]2CN(C[C@@]34C[C@@H]3C[NH2+]C4)C[C@H]2[NH3+])cn1 ZINC001350439757 890985389 /nfs/dbraw/zinc/98/53/89/890985389.db2.gz BPZFUWDRNSGLBE-RQJABVFESA-N 2 0 261.373 -0.244 20 0 CBADRP O=C(N1CCOC2(C[NH2+]C2)C1)C12CCC[NH+]1CCC2 ZINC001350429492 890985438 /nfs/dbraw/zinc/98/54/38/890985438.db2.gz WWHOYAMQTIXENZ-UHFFFAOYSA-N 2 0 265.357 -0.184 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC001350646540 891020478 /nfs/dbraw/zinc/02/04/78/891020478.db2.gz KGHZTJDKXYZZKR-IJLUTSLNSA-N 3 0 254.378 -0.619 20 0 CBADRP FCCn1ncnc1CN1CC[NH2+]CC[NH2+]CC1 ZINC001350910262 891065630 /nfs/dbraw/zinc/06/56/30/891065630.db2.gz OHBJQLOXUWWNOH-UHFFFAOYSA-N 2 0 256.329 -0.758 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)=NO1 ZINC001351164437 891114724 /nfs/dbraw/zinc/11/47/24/891114724.db2.gz YEVUOGNIBKNGGI-PTRXPTGYSA-N 2 0 252.318 -0.570 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C[NH2+]1 ZINC001351579878 891158237 /nfs/dbraw/zinc/15/82/37/891158237.db2.gz QHLIPOBZGULIPA-AGIUHOORSA-N 2 0 296.415 -0.347 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001352849696 891307302 /nfs/dbraw/zinc/30/73/02/891307302.db2.gz NWAOWWIWDXTQJC-JGLYPNHGSA-N 2 0 265.357 -0.401 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC001352862017 891312093 /nfs/dbraw/zinc/31/20/93/891312093.db2.gz LRCDQRIDPFUSIT-AVGNSLFASA-N 2 0 268.405 -0.040 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@H]1CC[NH+]1C ZINC001352985898 891336657 /nfs/dbraw/zinc/33/66/57/891336657.db2.gz MXGLPTPJDSORHZ-UTUOFQBUSA-N 2 0 252.362 -0.805 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)C1CC[NH2+]CC1 ZINC001352987077 891336831 /nfs/dbraw/zinc/33/68/31/891336831.db2.gz FOPKRHFHIDPNRH-AAEUAGOBSA-N 2 0 266.389 -0.415 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H]([NH3+])Cc1ccccn1 ZINC001353003822 891342397 /nfs/dbraw/zinc/34/23/97/891342397.db2.gz GUYQEVYROZHONX-ZYHUDNBSSA-N 2 0 250.346 -0.077 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001353055111 891349680 /nfs/dbraw/zinc/34/96/80/891349680.db2.gz GXVOJKNVVAXHMA-NSHDSACASA-N 2 0 296.415 -0.170 20 0 CBADRP CC1(C)[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)[C@@H]2CCC[NH2+][C@H]21 ZINC001353092354 891359890 /nfs/dbraw/zinc/35/98/90/891359890.db2.gz IAHNPGADXPFXFE-WRWGMCAJSA-N 2 0 267.373 -0.132 20 0 CBADRP C[C@@H](NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)C1=CC[N@H+](C)CC1 ZINC001353132687 891364960 /nfs/dbraw/zinc/36/49/60/891364960.db2.gz WDTKDOYTFFMKAN-NQBHXWOUSA-N 2 0 294.399 -0.394 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001353201860 891380400 /nfs/dbraw/zinc/38/04/00/891380400.db2.gz WJIGWYMQSFGJRN-JTQLQIEISA-N 2 0 268.361 -0.001 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC001353261849 891387198 /nfs/dbraw/zinc/38/71/98/891387198.db2.gz IWHKRYKFXYFGRE-BETUJISGSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001353261094 891387642 /nfs/dbraw/zinc/38/76/42/891387642.db2.gz RASRWQWPOQFBTQ-VOAKCMCISA-N 2 0 296.415 -0.077 20 0 CBADRP C[NH+](C)CCCC[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC001353272654 891390538 /nfs/dbraw/zinc/39/05/38/891390538.db2.gz KHSOBRNGAYPADK-GFCCVEGCSA-N 2 0 260.378 -0.180 20 0 CBADRP CC[NH+]1CCN(CC[NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001353271451 891393238 /nfs/dbraw/zinc/39/32/38/891393238.db2.gz ANCZJEHZQWUZQA-CQSZACIVSA-N 2 0 281.404 -0.529 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)C1CC1 ZINC001353278987 891393749 /nfs/dbraw/zinc/39/37/49/891393749.db2.gz QPQQWKQTMVJVIS-HAQNSBGRSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1=CC[N@H+](C)CC1 ZINC001353292081 891394665 /nfs/dbraw/zinc/39/46/65/891394665.db2.gz ICQLPNAMJPYYCU-GVXVVHGQSA-N 2 0 294.399 -0.394 20 0 CBADRP C[C@@H](CC[NH2+]C[C@@H](O)C1(O)CCOCC1)[NH+](C)C ZINC001353288457 891395973 /nfs/dbraw/zinc/39/59/73/891395973.db2.gz ZXQBQEVDCZPLQG-NWDGAFQWSA-N 2 0 260.378 -0.181 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001353341258 891407341 /nfs/dbraw/zinc/40/73/41/891407341.db2.gz SASQUHGEUCURSR-IJLUTSLNSA-N 2 0 269.393 -0.861 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)N1CCNCC[NH2+]CC1 ZINC001353367420 891413125 /nfs/dbraw/zinc/41/31/25/891413125.db2.gz QDAYZMSSVFVSHD-UHFFFAOYSA-N 2 0 285.436 -0.077 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)N[C@@H](C)CC[NH3+] ZINC001353426129 891425824 /nfs/dbraw/zinc/42/58/24/891425824.db2.gz VSAXKOFBISPCFQ-QWRGUYRKSA-N 2 0 258.366 -0.256 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC001353457485 891428312 /nfs/dbraw/zinc/42/83/12/891428312.db2.gz QYVJMYBLELIHAM-DBIOUOCHSA-N 2 0 256.350 -0.648 20 0 CBADRP CCO[C@H](CNC(=O)NCC[C@H](C)[NH3+])C[NH+](C)C ZINC001353441847 891428893 /nfs/dbraw/zinc/42/88/93/891428893.db2.gz JPJIGZULHCVRBR-WDEREUQCSA-N 2 0 260.382 -0.010 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC001353457492 891428933 /nfs/dbraw/zinc/42/89/33/891428933.db2.gz QYVJMYBLELIHAM-YTWAJWBKSA-N 2 0 256.350 -0.648 20 0 CBADRP O=C(NCCC[NH+]1CCC(O)CC1)C12CC(C1)C[NH2+]2 ZINC001353482656 891433775 /nfs/dbraw/zinc/43/37/75/891433775.db2.gz ODYVPDYOEUOSIP-UHFFFAOYSA-N 2 0 267.373 -0.299 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001353491922 891434231 /nfs/dbraw/zinc/43/42/31/891434231.db2.gz CLXLRIGTXYNPKI-HAQNSBGRSA-N 2 0 272.393 -0.009 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001353527826 891439697 /nfs/dbraw/zinc/43/96/97/891439697.db2.gz YIASKESRZJQIAD-XSRFYTQQSA-N 2 0 255.362 -0.361 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2C[NH2+]CC2(C)C)[C@H](C[NH3+])C1 ZINC001353510992 891439765 /nfs/dbraw/zinc/43/97/65/891439765.db2.gz DRVKPDCPAHDALM-GHMZBOCLSA-N 2 0 269.393 -0.731 20 0 CBADRP CCN1CC[NH+](CCCCNC(=O)[C@@H]([NH3+])COC)CC1 ZINC001353584444 891449729 /nfs/dbraw/zinc/44/97/29/891449729.db2.gz WKSMGHXZHYYQHX-ZDUSSCGKSA-N 2 0 286.420 -0.506 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001353580632 891450009 /nfs/dbraw/zinc/45/00/09/891450009.db2.gz AMMGELCNRLRZHL-CQSZACIVSA-N 2 0 297.447 -0.966 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC1([NH3+])CCC1 ZINC001353603040 891452728 /nfs/dbraw/zinc/45/27/28/891452728.db2.gz YHMKYNNYIBAIGQ-WDEREUQCSA-N 2 0 252.362 -0.628 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001353632801 891453320 /nfs/dbraw/zinc/45/33/20/891453320.db2.gz FTUFGAWVLOTYIZ-MBNYWOFBSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001353602933 891453650 /nfs/dbraw/zinc/45/36/50/891453650.db2.gz WVUNFXJEUWPXLG-CZXHOFHRSA-N 2 0 267.373 -0.192 20 0 CBADRP CN(C)C(=O)CC[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC001353945175 891489927 /nfs/dbraw/zinc/48/99/27/891489927.db2.gz YRYYPIKWLPYORP-LLVKDONJSA-N 2 0 280.376 -0.230 20 0 CBADRP CN(C)C(=O)CC[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC001353945176 891490094 /nfs/dbraw/zinc/49/00/94/891490094.db2.gz YRYYPIKWLPYORP-NSHDSACASA-N 2 0 280.376 -0.230 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(OCC(N)=O)CC1 ZINC001353937223 891491377 /nfs/dbraw/zinc/49/13/77/891491377.db2.gz ZSANWPNDTGEYQI-MNOVXSKESA-N 2 0 255.362 -0.192 20 0 CBADRP O=C(NCC[C@@H]1CSCC[NH2+]1)[C@@]1(F)CC[NH2+]C1 ZINC001353948296 891491601 /nfs/dbraw/zinc/49/16/01/891491601.db2.gz FXBBGRLXLGOQMQ-MWLCHTKSSA-N 2 0 261.366 -0.101 20 0 CBADRP [NH3+]CCC1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001354190395 891529160 /nfs/dbraw/zinc/52/91/60/891529160.db2.gz GUXHKTQZARIMSE-ZDUSSCGKSA-N 2 0 296.415 -0.229 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001354179414 891530231 /nfs/dbraw/zinc/53/02/31/891530231.db2.gz MGNVXTYBNCPITI-MNXVOIDGSA-N 2 0 269.389 -0.210 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC001354296746 891556195 /nfs/dbraw/zinc/55/61/95/891556195.db2.gz GPHYTCLGROYBNK-WISYIIOYSA-N 2 0 257.378 -0.211 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)NCC23CC(C2)C[NH2+]3)C1=O ZINC001354319944 891562951 /nfs/dbraw/zinc/56/29/51/891562951.db2.gz XMOGYALHOFSJLF-CVZZAPKMSA-N 2 0 280.372 -0.948 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC001354397227 891574347 /nfs/dbraw/zinc/57/43/47/891574347.db2.gz NJUJYNBBRQQASK-HZSPNIEDSA-N 2 0 299.415 -0.114 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC001354397228 891574940 /nfs/dbraw/zinc/57/49/40/891574940.db2.gz NJUJYNBBRQQASK-MCIONIFRSA-N 2 0 299.415 -0.114 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001354410772 891578155 /nfs/dbraw/zinc/57/81/55/891578155.db2.gz PXCUDXFFFYEUMA-ZDUSSCGKSA-N 2 0 273.377 -0.815 20 0 CBADRP C[NH+](C)CC1(C(=O)N2NC(=O)C[C@]23CC[NH2+]C3)CC1 ZINC001354513014 891590475 /nfs/dbraw/zinc/59/04/75/891590475.db2.gz XJCIKZIHCZCCHC-ZDUSSCGKSA-N 2 0 266.345 -0.676 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001354524327 891590761 /nfs/dbraw/zinc/59/07/61/891590761.db2.gz VMEZXYCAXIGHTI-YNEHKIRRSA-N 2 0 266.389 -0.557 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001354511211 891590855 /nfs/dbraw/zinc/59/08/55/891590855.db2.gz DLUITZDIOJRZQU-CWSCBRNRSA-N 2 0 266.345 -0.501 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cc1csc(C[NH3+])n1 ZINC001354683432 891606845 /nfs/dbraw/zinc/60/68/45/891606845.db2.gz NDXLJIUDQDRFCB-VXNVDRBHSA-N 2 0 254.359 -0.132 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC001354781724 891614612 /nfs/dbraw/zinc/61/46/12/891614612.db2.gz NUERPRKRYSNCSB-NKWVEPMBSA-N 2 0 267.251 -0.941 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001354780455 891615485 /nfs/dbraw/zinc/61/54/85/891615485.db2.gz CEJPIBHBPRGKQR-PRJMDXOYSA-N 2 0 269.267 -0.302 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)CCC2C[NH2+]C2)CC1 ZINC001354770825 891615858 /nfs/dbraw/zinc/61/58/58/891615858.db2.gz GSHGFETTZQOYEL-UHFFFAOYSA-N 2 0 254.378 -0.475 20 0 CBADRP C[NH2+]CCN(C(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C)C(C)C ZINC001354866001 891625007 /nfs/dbraw/zinc/62/50/07/891625007.db2.gz VATJIOMTURJANZ-OLZOCXBDSA-N 2 0 268.405 -0.169 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)C[C@H]1C[NH2+]CCO1 ZINC001354894268 891627045 /nfs/dbraw/zinc/62/70/45/891627045.db2.gz UAHXJSZVAXXFBM-YFKTTZPYSA-N 2 0 255.362 -0.038 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001354971349 891633665 /nfs/dbraw/zinc/63/36/65/891633665.db2.gz RGNUBVSQMMNJLX-STQMWFEESA-N 2 0 268.405 -0.227 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)NCCCCCN2CC[NH2+]CC2)=NO1 ZINC001354968683 891633782 /nfs/dbraw/zinc/63/37/82/891633782.db2.gz CPVBVPXQWJWUDH-GFCCVEGCSA-N 2 0 297.403 -0.718 20 0 CBADRP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]CC(N)=O)C1 ZINC001449388178 913578303 /nfs/dbraw/zinc/57/83/03/913578303.db2.gz SCENZZJNZJQBHJ-CPCZMJQVSA-N 2 0 296.415 -0.075 20 0 CBADRP Cc1ccc(NCCNC(=O)[C@H]2C[NH2+]CCN2C)nc1 ZINC001355171512 891659552 /nfs/dbraw/zinc/65/95/52/891659552.db2.gz YPOLGLCQZATREC-GFCCVEGCSA-N 2 0 277.372 -0.178 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)COC1CC[NH2+]CC1 ZINC001355364982 891670336 /nfs/dbraw/zinc/67/03/36/891670336.db2.gz SZWODAVVWHVGAC-LLVKDONJSA-N 2 0 255.362 -0.131 20 0 CBADRP [NH3+][C@H](CO)Cc1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC001355402575 891674306 /nfs/dbraw/zinc/67/43/06/891674306.db2.gz OCQMZJKTSPIEGV-MNOVXSKESA-N 2 0 253.350 -0.470 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)C1C[NH2+]C1 ZINC001356049953 891723504 /nfs/dbraw/zinc/72/35/04/891723504.db2.gz QICLDAUSKYSNOC-KOLCDFICSA-N 2 0 263.345 -0.042 20 0 CBADRP [NH3+]C1CC2(C1)CC(NC(=O)C[C@@]1(O)CCC[NH2+]C1)C2 ZINC001356175543 891735731 /nfs/dbraw/zinc/73/57/31/891735731.db2.gz MVFDVSAKQXAITD-CGTPWUTKSA-N 2 0 267.373 -0.123 20 0 CBADRP C[C@H](NC(=O)C(C)(C)C[NH3+])[C@H]1C[N@H+](C)CCN1C ZINC001356253702 891744259 /nfs/dbraw/zinc/74/42/59/891744259.db2.gz ORWWZLZUXORCBM-WDEREUQCSA-N 2 0 256.394 -0.278 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)[C@H]2C1 ZINC001356402664 891753095 /nfs/dbraw/zinc/75/30/95/891753095.db2.gz SVPNAZHGEWDLGR-XWLWVQCSSA-N 2 0 255.362 -0.459 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001356412012 891756756 /nfs/dbraw/zinc/75/67/56/891756756.db2.gz DUJXVDJFQBYECS-NNYUYHANSA-N 2 0 255.362 -0.193 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001356452766 891762082 /nfs/dbraw/zinc/76/20/82/891762082.db2.gz BTEQKPIDJIJUOJ-NEPJUHHUSA-N 2 0 256.394 -0.229 20 0 CBADRP CSC[C@@H](O)C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC001356584954 891779396 /nfs/dbraw/zinc/77/93/96/891779396.db2.gz QKLYLIOWHWCNAP-NEPJUHHUSA-N 2 0 261.435 -0.064 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)NCC[C@@H]1CCC[NH2+]CC1 ZINC001356511747 891774520 /nfs/dbraw/zinc/77/45/20/891774520.db2.gz NQRNOBIRLWUWBD-GHMZBOCLSA-N 2 0 257.378 -0.019 20 0 CBADRP C[NH+](C)CCCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001356568151 891776137 /nfs/dbraw/zinc/77/61/37/891776137.db2.gz AOLGDDRNPHHDEK-CQSZACIVSA-N 3 0 272.437 -0.474 20 0 CBADRP CSC[C@H](O)C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC001356584955 891779154 /nfs/dbraw/zinc/77/91/54/891779154.db2.gz QKLYLIOWHWCNAP-NWDGAFQWSA-N 2 0 261.435 -0.064 20 0 CBADRP CON(C)C(=O)CC[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC001356583058 891779815 /nfs/dbraw/zinc/77/98/15/891779815.db2.gz IPOAOCJNMPFQSR-LBPRGKRZSA-N 2 0 272.393 -0.378 20 0 CBADRP C[C@H](C[NH2+]C[C@@H](O)C1(O)CCOCC1)C[NH+](C)C ZINC001356595923 891780647 /nfs/dbraw/zinc/78/06/47/891780647.db2.gz LBVDYHRHTWNYMM-VXGBXAGGSA-N 2 0 260.378 -0.324 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H](O)C[NH2+]1 ZINC001357369004 891878202 /nfs/dbraw/zinc/87/82/02/891878202.db2.gz TUNKCQMBLPUZTD-FMCLSXCISA-N 2 0 267.373 -0.158 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001357397079 891885976 /nfs/dbraw/zinc/88/59/76/891885976.db2.gz NYULGWNGWGIKJO-WUHRBBMRSA-N 2 0 267.373 -0.036 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)C1 ZINC001357396541 891887577 /nfs/dbraw/zinc/88/75/77/891887577.db2.gz JSLOKSSFFZIITH-LBELIVKGSA-N 2 0 267.373 -0.193 20 0 CBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)CNCC[NH3+])C[C@H]1C ZINC001357414091 891889905 /nfs/dbraw/zinc/88/99/05/891889905.db2.gz LLAJFHHCKKFGSO-VXGBXAGGSA-N 2 0 256.394 -0.134 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)C12CC(C1)C[NH2+]2 ZINC001357413951 891890305 /nfs/dbraw/zinc/89/03/05/891890305.db2.gz KVWADKBRXFNUGM-UHFFFAOYSA-N 2 0 255.362 -0.177 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C12CCC(CC1)[NH2+]2 ZINC001357431786 891893385 /nfs/dbraw/zinc/89/33/85/891893385.db2.gz XULJZOBXATUZDC-LXVYMNJGSA-N 2 0 266.389 -0.367 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)[C@H](C)C[NH2+]1 ZINC001357443562 891893996 /nfs/dbraw/zinc/89/39/96/891893996.db2.gz CFAPPECGUXZPSO-UTUOFQBUSA-N 2 0 282.388 -0.608 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC001357430720 891894036 /nfs/dbraw/zinc/89/40/36/891894036.db2.gz JKOQVDOWNSZIJV-OBJOEFQTSA-N 2 0 266.389 -0.652 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)NCCC[NH2+]C1CC1 ZINC001357436353 891894115 /nfs/dbraw/zinc/89/41/15/891894115.db2.gz SLLLORKPCQSPSY-GFCCVEGCSA-N 2 0 270.377 -0.242 20 0 CBADRP [NH3+]Cc1nc(CC(=O)NC[C@@H]([NH3+])C2CC2)cs1 ZINC001357443783 891894774 /nfs/dbraw/zinc/89/47/74/891894774.db2.gz LMAVADHFEYNCIJ-SECBINFHSA-N 2 0 254.359 -0.002 20 0 CBADRP [NH3+]CCCNC(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001357436741 891895167 /nfs/dbraw/zinc/89/51/67/891895167.db2.gz XEOWOELQXHJBIJ-NSHDSACASA-N 2 0 270.377 -0.125 20 0 CBADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CCNCC[NH2+]CC1 ZINC001357462322 891897318 /nfs/dbraw/zinc/89/73/18/891897318.db2.gz FSPIXTYUGKSMQR-OLZOCXBDSA-N 2 0 283.420 -0.292 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001357463159 891899040 /nfs/dbraw/zinc/89/90/40/891899040.db2.gz KHMUFZGYVRFJLS-SRVKXCTJSA-N 2 0 252.362 -0.913 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001357485463 891904284 /nfs/dbraw/zinc/90/42/84/891904284.db2.gz IVEALIOMHPXDHY-UTUOFQBUSA-N 2 0 255.362 -0.273 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]CC1)N1CCNCC[NH2+]CC1 ZINC001357484242 891905036 /nfs/dbraw/zinc/90/50/36/891905036.db2.gz QJZCSNZZFDTBIL-GFCCVEGCSA-N 2 0 269.393 -0.667 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC001357514684 891908056 /nfs/dbraw/zinc/90/80/56/891908056.db2.gz IDRAWJWDAXPLDP-QWRGUYRKSA-N 2 0 256.350 -0.632 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC001357514685 891908105 /nfs/dbraw/zinc/90/81/05/891908105.db2.gz IDRAWJWDAXPLDP-WDEREUQCSA-N 2 0 256.350 -0.632 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)N2CCNCC[NH2+]CC2)C[NH2+]1 ZINC001357532430 891910532 /nfs/dbraw/zinc/91/05/32/891910532.db2.gz LVSMQOSLWDMAFL-VXGBXAGGSA-N 2 0 269.393 -0.669 20 0 CBADRP C[C@@]1(NC(=O)NCCN2CCC([NH3+])CC2)CC[NH2+]C1 ZINC001357581592 891912460 /nfs/dbraw/zinc/91/24/60/891912460.db2.gz HMJSGEUMAXZKQY-CYBMUJFWSA-N 2 0 269.393 -0.539 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C[C@@H]1C[NH3+] ZINC001357620287 891921410 /nfs/dbraw/zinc/92/14/10/891921410.db2.gz UTQSCJSKWPIAQE-AGIUHOORSA-N 2 0 296.415 -0.373 20 0 CBADRP [NH3+]CCCCCCNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001357678627 891925869 /nfs/dbraw/zinc/92/58/69/891925869.db2.gz KDYBYEQBUPQNLV-NSHDSACASA-N 2 0 282.388 -0.558 20 0 CBADRP [NH3+]C1CC2(C1)CC(NC(=O)N1CCNCC[NH2+]CC1)C2 ZINC001357763236 891934202 /nfs/dbraw/zinc/93/42/02/891934202.db2.gz BKYJJEAIKHKROB-UHFFFAOYSA-N 2 0 281.404 -0.539 20 0 CBADRP CCO[C@@H]1CN(C(=O)C2([NH2+]C)CCC2)C[C@H]1C[NH3+] ZINC001357802294 891936514 /nfs/dbraw/zinc/93/65/14/891936514.db2.gz ZTAAJXYUUDLYRU-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CC1(CCNC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC1 ZINC001357801440 891937450 /nfs/dbraw/zinc/93/74/50/891937450.db2.gz HQJRRGAPQDONKR-RISCZKNCSA-N 2 0 267.373 -0.142 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2COC3(C[NH2+]C3)C2)C1 ZINC001357846944 891939089 /nfs/dbraw/zinc/93/90/89/891939089.db2.gz OQMYGHISXBTTOE-QWRGUYRKSA-N 2 0 253.346 -0.425 20 0 CBADRP C[C@@H]1C[C@H](C(=O)N2CCOC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC001357911927 891943084 /nfs/dbraw/zinc/94/30/84/891943084.db2.gz ZPILHDPLRSUFSG-GHMZBOCLSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+]CC1(C(=O)N2CCCCC[C@H]([NH3+])C2)CC(O)C1 ZINC001357966490 891951479 /nfs/dbraw/zinc/95/14/79/891951479.db2.gz HLZPHHNBIJFFPK-ZBOXLXRLSA-N 2 0 255.362 -0.184 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001357978931 891953077 /nfs/dbraw/zinc/95/30/77/891953077.db2.gz DQLHYXCOCRUBJP-UBHUBRDASA-N 2 0 267.373 -0.027 20 0 CBADRP C[C@@H](NC(=O)[C@H]1C[NH2+]CCN1C)C1CC[NH2+]CC1 ZINC001357992258 891954741 /nfs/dbraw/zinc/95/47/41/891954741.db2.gz ICSRECHZEMPTQY-ZYHUDNBSSA-N 2 0 254.378 -0.606 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001358000410 891956352 /nfs/dbraw/zinc/95/63/52/891956352.db2.gz LUPSXBRDYKWEIM-SGMGOOAPSA-N 2 0 267.373 -0.156 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)[C@@H](N)CC[NH+](C)C ZINC001358083535 891967429 /nfs/dbraw/zinc/96/74/29/891967429.db2.gz QFLXREIMBUMVPY-UTUOFQBUSA-N 2 0 256.394 -0.373 20 0 CBADRP CC[NH2+]CC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001358079397 891968239 /nfs/dbraw/zinc/96/82/39/891968239.db2.gz GWPPDMPPCMRGEX-LLVKDONJSA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001358095096 891971230 /nfs/dbraw/zinc/97/12/30/891971230.db2.gz YCSVBLUTPBGIEN-KXNHARMFSA-N 2 0 257.378 -0.354 20 0 CBADRP CC1(C)CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C[C@@H]1[NH3+] ZINC001358131283 891976199 /nfs/dbraw/zinc/97/61/99/891976199.db2.gz PMXXEHLYEZVPDM-QWRGUYRKSA-N 2 0 282.388 -0.621 20 0 CBADRP CC1(C)CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C[C@@H]1[NH3+] ZINC001358131282 891976554 /nfs/dbraw/zinc/97/65/54/891976554.db2.gz PMXXEHLYEZVPDM-MNOVXSKESA-N 2 0 282.388 -0.621 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001358202003 891979272 /nfs/dbraw/zinc/97/92/72/891979272.db2.gz IJPOYLWJNLCKOX-HNCHTBHHSA-N 2 0 253.346 -0.249 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001358223013 891983732 /nfs/dbraw/zinc/98/37/32/891983732.db2.gz CTQUDAGAGOVJFW-GFCCVEGCSA-N 2 0 285.388 -0.421 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[C@H](CC[NH3+])C1 ZINC001358249008 891984799 /nfs/dbraw/zinc/98/47/99/891984799.db2.gz BLCHUNHJSSEGOA-AGIUHOORSA-N 2 0 266.389 -0.428 20 0 CBADRP [NH3+]CC[C@H]1CCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC001358249181 891985117 /nfs/dbraw/zinc/98/51/17/891985117.db2.gz CXLGBXFHTBOCRW-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001358302349 891990856 /nfs/dbraw/zinc/99/08/56/891990856.db2.gz RWVUJMXSYKCFJL-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001358316209 891993958 /nfs/dbraw/zinc/99/39/58/891993958.db2.gz APDWDUCJWDNDPX-MBNYWOFBSA-N 2 0 269.389 -0.053 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)=NO1 ZINC001358317859 891995378 /nfs/dbraw/zinc/99/53/78/891995378.db2.gz MCAJKHUQNOJMRO-GWCFXTLKSA-N 2 0 266.345 -0.165 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC001358405910 892000560 /nfs/dbraw/zinc/00/05/60/892000560.db2.gz DIGSOGBUCVZZGR-SNVBAGLBSA-N 2 0 266.349 -0.645 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC001358396689 892001077 /nfs/dbraw/zinc/00/10/77/892001077.db2.gz PGEFRNRAONXYKS-OPDFLTKYSA-N 2 0 269.389 -0.067 20 0 CBADRP C[NH2+]CCCC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001358444844 892008371 /nfs/dbraw/zinc/00/83/71/892008371.db2.gz SCQCGFFHKDUMHB-UHFFFAOYSA-N 2 0 256.394 -0.308 20 0 CBADRP COC[C@]1(C(=O)N2CCN(C)CC[N@H+](C)CC2)CC[NH2+]C1 ZINC001358444765 892008752 /nfs/dbraw/zinc/00/87/52/892008752.db2.gz PPNOXBHKWSOWRZ-HNNXBMFYSA-N 2 0 298.431 -0.682 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3C[NH+]([C@@H]4CCOC4)C3)C[C@@H]21 ZINC001362465740 892701924 /nfs/dbraw/zinc/70/19/24/892701924.db2.gz VRNRDJDVNNXPJU-BNOWGMLFSA-N 2 0 279.384 -0.130 20 0 CBADRP C[N@H+](CC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)[C@@H]1CCC[C@H]1O ZINC001362756808 892996535 /nfs/dbraw/zinc/99/65/35/892996535.db2.gz AQPVUKRSXRMYGQ-XJFOESAGSA-N 2 0 281.400 -0.148 20 0 CBADRP Cn1cnc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC001362778767 893022809 /nfs/dbraw/zinc/02/28/09/893022809.db2.gz CTKOEUGKIJDJQD-VXGBXAGGSA-N 2 0 294.403 -0.374 20 0 CBADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCN2C[C@@H]3C)C1 ZINC001362971187 893218307 /nfs/dbraw/zinc/21/83/07/893218307.db2.gz PRAMWKQKQLKQHY-MELADBBJSA-N 2 0 280.416 -0.025 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001363008385 893255143 /nfs/dbraw/zinc/25/51/43/893255143.db2.gz ALMIFQDVWHNYBN-GFCCVEGCSA-N 2 0 275.368 -0.149 20 0 CBADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001450929212 913751922 /nfs/dbraw/zinc/75/19/22/913751922.db2.gz GZPBLQXITOSXCU-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001450929217 913752472 /nfs/dbraw/zinc/75/24/72/913752472.db2.gz GZPBLQXITOSXCU-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[N@H+](CCO)CCNC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001363123325 893379742 /nfs/dbraw/zinc/37/97/42/893379742.db2.gz HOHOKGDBMKPVRJ-ZDUSSCGKSA-N 2 0 292.383 -0.052 20 0 CBADRP Cn1cncc1CCC(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001363686785 893914298 /nfs/dbraw/zinc/91/42/98/893914298.db2.gz YEMAWRYCIGQVOA-NSHDSACASA-N 2 0 278.356 -0.058 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1C[C@H]2CC[NH+](C)[C@H]2C1 ZINC001363791757 893995159 /nfs/dbraw/zinc/99/51/59/893995159.db2.gz NORIIKWOSIIBCQ-MCIONIFRSA-N 2 0 271.405 -0.439 20 0 CBADRP CCc1nccn1CCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001364060859 894168785 /nfs/dbraw/zinc/16/87/85/894168785.db2.gz TYYWBKJHWAEMAL-STQMWFEESA-N 2 0 291.399 -0.050 20 0 CBADRP C[C@@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)[NH+](C)C ZINC001364275753 894301999 /nfs/dbraw/zinc/30/19/99/894301999.db2.gz ZZGUHSCZMBRPRF-NSHDSACASA-N 2 0 272.393 -0.308 20 0 CBADRP C[C@@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)C[C@H](C)[NH+]1CCO ZINC001364426719 894411301 /nfs/dbraw/zinc/41/13/01/894411301.db2.gz RIRAASZIXVWEPK-VNHYZAJKSA-N 2 0 285.432 -0.172 20 0 CBADRP C[NH+]1CCN(C2CC[NH+](C[C@H]3CNC(=O)C3)CC2)CC1 ZINC001364486095 894453422 /nfs/dbraw/zinc/45/34/22/894453422.db2.gz RGFUQCJONUFHHE-CYBMUJFWSA-N 2 0 280.416 -0.166 20 0 CBADRP C[NH+]1CCN(C2CC[NH+](C[C@@H]3CNC(=O)C3)CC2)CC1 ZINC001364486100 894454387 /nfs/dbraw/zinc/45/43/87/894454387.db2.gz RGFUQCJONUFHHE-ZDUSSCGKSA-N 2 0 280.416 -0.166 20 0 CBADRP COC(=O)CNC(=O)CC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001364777503 894609184 /nfs/dbraw/zinc/60/91/84/894609184.db2.gz VUEKIUKUIFSGBX-NEPJUHHUSA-N 2 0 283.372 -0.451 20 0 CBADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCOC[C@H]2O)CC1 ZINC001364994039 894715319 /nfs/dbraw/zinc/71/53/19/894715319.db2.gz BJQCXMTXIKICET-CHWSQXEVSA-N 2 0 272.389 -0.039 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001365121647 894768497 /nfs/dbraw/zinc/76/84/97/894768497.db2.gz LXMIMFNODUEYAH-GZBFAFLISA-N 2 0 281.400 -0.101 20 0 CBADRP C[C@H](CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C[NH+]1CCOCC1 ZINC001365310170 894895217 /nfs/dbraw/zinc/89/52/17/894895217.db2.gz LKKXZSZZDSNLNN-SOUVJXGZSA-N 2 0 283.416 -0.295 20 0 CBADRP CN(C)c1ccncc1C[NH2+]C[C@H](O)Cn1ccnn1 ZINC001365453762 894972356 /nfs/dbraw/zinc/97/23/56/894972356.db2.gz GFYGOFZKUGKVHU-LBPRGKRZSA-N 2 0 276.344 -0.110 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001365825635 895128886 /nfs/dbraw/zinc/12/88/86/895128886.db2.gz UDFIRFWAKBPLML-RWMBFGLXSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC001365833531 895131598 /nfs/dbraw/zinc/13/15/98/895131598.db2.gz ITPHIHPJOXGWTJ-SRVKXCTJSA-N 2 0 296.415 -0.171 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001365832253 895131995 /nfs/dbraw/zinc/13/19/95/895131995.db2.gz XHQMSXQBVTZUEC-XQQFMLRXSA-N 2 0 296.415 -0.301 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001365840650 895132024 /nfs/dbraw/zinc/13/20/24/895132024.db2.gz FFZPKADGAQJQEQ-JHJVBQTASA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H]([NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1)C(N)=O ZINC001366081736 895184875 /nfs/dbraw/zinc/18/48/75/895184875.db2.gz XQBHOBDWVXSSTN-OLZOCXBDSA-N 2 0 296.415 -0.170 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001366102964 895191021 /nfs/dbraw/zinc/19/10/21/895191021.db2.gz NUPFXKQAWMORLG-RYUDHWBXSA-N 2 0 282.388 -0.783 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001366100436 895191439 /nfs/dbraw/zinc/19/14/39/895191439.db2.gz WPKALZWSCIMBJJ-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001366103532 895191706 /nfs/dbraw/zinc/19/17/06/895191706.db2.gz ISGQVJBKYGKZDB-STQMWFEESA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(=O)N(C)C ZINC001366103624 895191772 /nfs/dbraw/zinc/19/17/72/895191772.db2.gz SBONFGBMVHZUER-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366155790 895208265 /nfs/dbraw/zinc/20/82/65/895208265.db2.gz OBWODEVDHXDQFX-XQQFMLRXSA-N 2 0 299.415 -0.428 20 0 CBADRP CC[C@H]([NH2+][C@H](C)CNC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001366281497 895257971 /nfs/dbraw/zinc/25/79/71/895257971.db2.gz AWLROGLCHABJNL-PWSUYJOCSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[C@@H]([NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001366308641 895268469 /nfs/dbraw/zinc/26/84/69/895268469.db2.gz ZXUJEVMBENSAEY-VXGBXAGGSA-N 2 0 296.415 -0.027 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(N)=O)C1 ZINC001366320321 895277861 /nfs/dbraw/zinc/27/78/61/895277861.db2.gz ODLPPXCXBHHJSX-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001366347402 895289553 /nfs/dbraw/zinc/28/95/53/895289553.db2.gz QMEFAJFOMRGLCB-NWDGAFQWSA-N 2 0 294.403 -0.249 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001366396815 895308748 /nfs/dbraw/zinc/30/87/48/895308748.db2.gz XMRCNYCWMRGZQW-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001366400445 895314361 /nfs/dbraw/zinc/31/43/61/895314361.db2.gz JXDUICOXDYCPER-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nnnn1C ZINC001366436686 895319446 /nfs/dbraw/zinc/31/94/46/895319446.db2.gz ATIYYJOSZLQVOE-MNOVXSKESA-N 2 0 295.391 -0.711 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001366452773 895323800 /nfs/dbraw/zinc/32/38/00/895323800.db2.gz NNCKXXHOUXJCKL-WCQYABFASA-N 2 0 294.403 -0.106 20 0 CBADRP CC[C@H](C(N)=O)N(C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001366537282 895361567 /nfs/dbraw/zinc/36/15/67/895361567.db2.gz NZHCMXJDWUGCGE-GFCCVEGCSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H]1CCN(C)C1=O ZINC001366602632 895406403 /nfs/dbraw/zinc/40/64/03/895406403.db2.gz HFUGQMVIUMULBE-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CCNC1=O ZINC001366613804 895408604 /nfs/dbraw/zinc/40/86/04/895408604.db2.gz JJGITZXGDQMXCR-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP CC[N@H+](CCNC(=O)CC[NH+](C)C)[C@H]1CCCNC1=O ZINC001366628987 895412939 /nfs/dbraw/zinc/41/29/39/895412939.db2.gz FREVKXGPKIKRFD-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)[C@H]1CCNC1=O ZINC001366644715 895417963 /nfs/dbraw/zinc/41/79/63/895417963.db2.gz QDKOPDXSMXRKCI-LBPRGKRZSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@H](O)COC ZINC001366639149 895419185 /nfs/dbraw/zinc/41/91/85/895419185.db2.gz FHJLGKHBMRGIKB-STQMWFEESA-N 2 0 287.404 -0.617 20 0 CBADRP CC(C)(C(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1)[NH+]1CCCC1 ZINC001366694578 895431905 /nfs/dbraw/zinc/43/19/05/895431905.db2.gz DEEOSFQRDSCUEZ-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001366774840 895457242 /nfs/dbraw/zinc/45/72/42/895457242.db2.gz XRTAVNXRMGIRKC-STQMWFEESA-N 2 0 294.399 -0.735 20 0 CBADRP CC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC)[NH+](C)C ZINC001366777391 895460655 /nfs/dbraw/zinc/46/06/55/895460655.db2.gz RCXDJUVPKVAJKC-MNOVXSKESA-N 2 0 272.393 -0.491 20 0 CBADRP CCC[N@H+](C)CCC(=O)N(C)CC[NH2+][C@H]1CCN(C)C1=O ZINC001366780755 895461010 /nfs/dbraw/zinc/46/10/10/895461010.db2.gz WULVCHLZXIGEAB-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001366832857 895469697 /nfs/dbraw/zinc/46/96/97/895469697.db2.gz HXJBNWHVAAANJY-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001366873155 895471703 /nfs/dbraw/zinc/47/17/03/895471703.db2.gz QXBHTIRLGSPZLE-CHWSQXEVSA-N 2 0 296.415 -0.536 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CCn2cncn2)C1 ZINC001366891942 895478049 /nfs/dbraw/zinc/47/80/49/895478049.db2.gz AABLFIJGDJCOOU-CYBMUJFWSA-N 2 0 294.403 -0.190 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001367011247 895524620 /nfs/dbraw/zinc/52/46/20/895524620.db2.gz RWRGCVBBHJJRFI-QWHCGFSZSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C[C@H](O)COC)C1)[NH+](C)C ZINC001367030625 895535679 /nfs/dbraw/zinc/53/56/79/895535679.db2.gz MJIMVNLMANILIU-FRRDWIJNSA-N 2 0 287.404 -0.476 20 0 CBADRP CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@H](C)C(N)=O ZINC001367115667 895566011 /nfs/dbraw/zinc/56/60/11/895566011.db2.gz PYGLLVYFNHGFPF-VXGBXAGGSA-N 2 0 296.415 -0.027 20 0 CBADRP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)NC ZINC001367106303 895568099 /nfs/dbraw/zinc/56/80/99/895568099.db2.gz SGOPRTVOIYDJPI-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H](CNC(=O)CC[N@H+](C)CC)[NH2+][C@H]1CCNC1=O ZINC001367145551 895573445 /nfs/dbraw/zinc/57/34/45/895573445.db2.gz VCAGCCXKEQYYDS-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H](CNC(=O)CC[N@H+](C)CC)[NH2+][C@@H]1CCNC1=O ZINC001367145901 895577281 /nfs/dbraw/zinc/57/72/81/895577281.db2.gz VCAGCCXKEQYYDS-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]CC(=O)NC1CC1 ZINC001367230893 895590523 /nfs/dbraw/zinc/59/05/23/895590523.db2.gz CUKGUVUMLHHEDN-YPMHNXCESA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001367270923 895601070 /nfs/dbraw/zinc/60/10/70/895601070.db2.gz HAQDNGFHKOWWOK-YPMHNXCESA-N 2 0 296.419 -0.003 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001367281775 895602276 /nfs/dbraw/zinc/60/22/76/895602276.db2.gz AMQIPHLXOGNACZ-OLZOCXBDSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001367272529 895603035 /nfs/dbraw/zinc/60/30/35/895603035.db2.gz XSESHHVVOLFEMA-NEPJUHHUSA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@H](C)c1nnnn1C ZINC001367267907 895603127 /nfs/dbraw/zinc/60/31/27/895603127.db2.gz FWMNQNQICGJRKU-WDEREUQCSA-N 2 0 297.407 -0.435 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001367365543 895625509 /nfs/dbraw/zinc/62/55/09/895625509.db2.gz ZCGZBRYYBWZOLH-WCQYABFASA-N 2 0 294.403 -0.154 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001367369315 895625822 /nfs/dbraw/zinc/62/58/22/895625822.db2.gz VQEGSYKKBRYYAO-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001367381684 895629188 /nfs/dbraw/zinc/62/91/88/895629188.db2.gz ZSWXTNITCDOSKR-WDEREUQCSA-N 2 0 272.393 -0.491 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001367406827 895631575 /nfs/dbraw/zinc/63/15/75/895631575.db2.gz QQLKTVLBASJIMM-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001367414214 895633242 /nfs/dbraw/zinc/63/32/42/895633242.db2.gz MOZYZGNMZAOEJV-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[C@H](CNC(=O)Cc1c[nH]cn1)[NH2+][C@@H](C)C(N)=O ZINC001367488167 895641147 /nfs/dbraw/zinc/64/11/47/895641147.db2.gz WWMUTLAJUGAXCL-ONGXEEELSA-N 2 0 281.360 -0.444 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001367492076 895645197 /nfs/dbraw/zinc/64/51/97/895645197.db2.gz LVHVVNQBVFFHNO-OLZOCXBDSA-N 2 0 298.431 -0.195 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001367678037 895741076 /nfs/dbraw/zinc/74/10/76/895741076.db2.gz XPXGLNOFUWKHIK-NEPJUHHUSA-N 2 0 287.404 -0.428 20 0 CBADRP CC[C@H](C(=O)N(CC)CC[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001367686529 895745463 /nfs/dbraw/zinc/74/54/63/895745463.db2.gz GVGXSLHIONZPHK-WDEREUQCSA-N 2 0 272.393 -0.362 20 0 CBADRP CC[C@H](C(=O)N(CC)CC[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001367690672 895749345 /nfs/dbraw/zinc/74/93/45/895749345.db2.gz OARSQYZLSLJALT-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367694655 895751643 /nfs/dbraw/zinc/75/16/43/895751643.db2.gz UXKUOXXLXGAYJW-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP CC[C@@H](C(=O)N(CC)CC[NH2+][C@H](C)C(=O)NC)[NH+](C)C ZINC001367699078 895755204 /nfs/dbraw/zinc/75/52/04/895755204.db2.gz XTHYKYDYUGOXCW-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[C@H]([NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C(N)=O ZINC001367755311 895790005 /nfs/dbraw/zinc/79/00/05/895790005.db2.gz MPCCKIKIPWPVCK-SDDRHHMPSA-N 2 0 286.420 -0.069 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC1CC1)[NH+](C)C ZINC001367767592 895797891 /nfs/dbraw/zinc/79/78/91/895797891.db2.gz NBFCUQYMMGCGCI-CMPLNLGQSA-N 2 0 284.404 -0.301 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001367764763 895798226 /nfs/dbraw/zinc/79/82/26/895798226.db2.gz XYOPUBPUCXOPOK-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](C[N@H+](C)[C@H]1CCCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001367827556 895824251 /nfs/dbraw/zinc/82/42/51/895824251.db2.gz AAEHKDFCIMTRAG-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CN(C)[C@@H]1CCNC1=O ZINC001367861363 895837602 /nfs/dbraw/zinc/83/76/02/895837602.db2.gz LJEVGRRTHSVZIU-NWDGAFQWSA-N 2 0 284.404 -0.348 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CN(C)[C@@H]1CCNC1=O ZINC001367861369 895838195 /nfs/dbraw/zinc/83/81/95/895838195.db2.gz LJEVGRRTHSVZIU-VXGBXAGGSA-N 2 0 284.404 -0.348 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001367919996 895854631 /nfs/dbraw/zinc/85/46/31/895854631.db2.gz KABHMEWYBGOBKF-TZMCWYRMSA-N 2 0 298.431 -0.197 20 0 CBADRP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001368001035 895889341 /nfs/dbraw/zinc/88/93/41/895889341.db2.gz BWLNWMPMFJWQHC-JHJVBQTASA-N 2 0 299.415 -0.428 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1)C(N)=O ZINC001368002835 895889828 /nfs/dbraw/zinc/88/98/28/895889828.db2.gz LNJFIUKREVUNJR-ZYHUDNBSSA-N 2 0 294.399 -0.560 20 0 CBADRP CC[C@@H](C(=O)NCC1([NH2+][C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC001368019045 895892846 /nfs/dbraw/zinc/89/28/46/895892846.db2.gz LCKAUSCPZVCXFH-UWVGGRQHSA-N 2 0 270.377 -0.561 20 0 CBADRP CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001368015847 895893113 /nfs/dbraw/zinc/89/31/13/895893113.db2.gz KYRBOIDGZMCFJK-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001368037295 895895104 /nfs/dbraw/zinc/89/51/04/895895104.db2.gz VFRRBXLKBNAYRX-RYUDHWBXSA-N 2 0 285.388 -0.816 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001368193240 895933909 /nfs/dbraw/zinc/93/39/09/895933909.db2.gz FCVVYDFEEAENNG-OAHLLOKOSA-N 2 0 298.431 -0.146 20 0 CBADRP CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001368198582 895934129 /nfs/dbraw/zinc/93/41/29/895934129.db2.gz XFTKGUZBTFRDFY-BXUZGUMPSA-N 2 0 284.404 -0.360 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCO)CCOCC2)C1 ZINC001368235311 895934783 /nfs/dbraw/zinc/93/47/83/895934783.db2.gz AFBRYCNODJNZEA-CYBMUJFWSA-N 2 0 299.415 -0.425 20 0 CBADRP CC(C)[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001368253506 895946200 /nfs/dbraw/zinc/94/62/00/895946200.db2.gz RAUSHFQEFUVVEP-TZMCWYRMSA-N 2 0 285.388 -0.722 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001368262545 895948200 /nfs/dbraw/zinc/94/82/00/895948200.db2.gz PQKMMOFHHMKUIG-GXTWGEPZSA-N 2 0 285.388 -0.984 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001368262552 895951728 /nfs/dbraw/zinc/95/17/28/895951728.db2.gz PQKMMOFHHMKUIG-JSGCOSHPSA-N 2 0 285.388 -0.984 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001368337585 895985188 /nfs/dbraw/zinc/98/51/88/895985188.db2.gz JDOQRCLSMSHDOZ-RYUDHWBXSA-N 2 0 294.399 -0.606 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368339227 895987486 /nfs/dbraw/zinc/98/74/86/895987486.db2.gz VDNRZIALQBFVED-NWDGAFQWSA-N 2 0 296.415 -0.360 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001368565122 896037582 /nfs/dbraw/zinc/03/75/82/896037582.db2.gz DDMHHFVFDXVOOG-AVGNSLFASA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)[C@H]1CCNC1=O ZINC001368569712 896038381 /nfs/dbraw/zinc/03/83/81/896038381.db2.gz TZOOZJLJBMVOLU-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001368579942 896042917 /nfs/dbraw/zinc/04/29/17/896042917.db2.gz LVGOJQOXZYDQHH-JOCQHMNTSA-N 2 0 298.431 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001368609087 896044024 /nfs/dbraw/zinc/04/40/24/896044024.db2.gz BYGRZQOMPTWEOW-OCCSQVGLSA-N 2 0 285.388 -0.984 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001368606131 896044767 /nfs/dbraw/zinc/04/47/67/896044767.db2.gz FRUKKKRCINVGMT-AVGNSLFASA-N 2 0 298.431 -0.055 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+][C@@H]1CCN(C)C1=O ZINC001368728050 896065308 /nfs/dbraw/zinc/06/53/08/896065308.db2.gz GWNRTWRQTLKDHM-YNEHKIRRSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001368727854 896066304 /nfs/dbraw/zinc/06/63/04/896066304.db2.gz FEAJCDRTZGMLQT-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001368739722 896068949 /nfs/dbraw/zinc/06/89/49/896068949.db2.gz DNBSRBDBHAICKT-STQMWFEESA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCn1cncn1 ZINC001368747123 896072900 /nfs/dbraw/zinc/07/29/00/896072900.db2.gz DXPQKMWAXOKPMK-QWHCGFSZSA-N 2 0 294.403 -0.286 20 0 CBADRP C[NH+]1CCC(C(=O)NC2(CO)CC[NH+](CCO)CC2)CC1 ZINC001368763021 896075901 /nfs/dbraw/zinc/07/59/01/896075901.db2.gz DECJGZWJGAPIHO-UHFFFAOYSA-N 2 0 299.415 -0.736 20 0 CBADRP COCC[NH+]1CCC(CO)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001368781458 896079341 /nfs/dbraw/zinc/07/93/41/896079341.db2.gz VFYLLDOUKWZVIU-UHFFFAOYSA-N 2 0 299.415 -0.328 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CC1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001368825214 896091259 /nfs/dbraw/zinc/09/12/59/896091259.db2.gz KVSIGGJBEHOAAX-HIFPTAJRSA-N 2 0 298.431 -0.055 20 0 CBADRP C[C@@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+]CC(N)=O ZINC001369253146 896182155 /nfs/dbraw/zinc/18/21/55/896182155.db2.gz SFIUJUISYQLEIW-JTQLQIEISA-N 2 0 270.377 -0.608 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001369294958 896190456 /nfs/dbraw/zinc/19/04/56/896190456.db2.gz WCQGSBUULQMFQB-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001369299848 896190583 /nfs/dbraw/zinc/19/05/83/896190583.db2.gz CGZFTDUUBCHLCR-NWDGAFQWSA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001369307557 896195377 /nfs/dbraw/zinc/19/53/77/896195377.db2.gz HTVYYJFRSQLLPU-OLZOCXBDSA-N 2 0 298.431 -0.006 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCn1cncn1 ZINC001369307443 896196081 /nfs/dbraw/zinc/19/60/81/896196081.db2.gz QVPQXTDMJQMUTO-QWHCGFSZSA-N 2 0 294.403 -0.334 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369309615 896197814 /nfs/dbraw/zinc/19/78/14/896197814.db2.gz VHYMILXPSMRXJW-GHMZBOCLSA-N 2 0 270.377 -0.879 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cncn1C)[NH+](C)C ZINC001369376750 896245918 /nfs/dbraw/zinc/24/59/18/896245918.db2.gz DUEKUNKXTUNGOI-AAEUAGOBSA-N 2 0 297.403 -0.673 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001369379285 896246375 /nfs/dbraw/zinc/24/63/75/896246375.db2.gz YLSFCFZKTFXQAK-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cncn1C)[NH+](C)C ZINC001369376755 896247705 /nfs/dbraw/zinc/24/77/05/896247705.db2.gz DUEKUNKXTUNGOI-WCQYABFASA-N 2 0 297.403 -0.673 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCC(F)(F)F)C1 ZINC001369386264 896250486 /nfs/dbraw/zinc/25/04/86/896250486.db2.gz SHCAYRATGBYEQR-ZJUUUORDSA-N 2 0 297.321 -0.043 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001369403169 896260226 /nfs/dbraw/zinc/26/02/26/896260226.db2.gz OTRVKBXHHBQGCW-NEPJUHHUSA-N 2 0 296.415 -0.204 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001369413264 896264119 /nfs/dbraw/zinc/26/41/19/896264119.db2.gz AEEHZSJGXRAJOH-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001369451000 896275178 /nfs/dbraw/zinc/27/51/78/896275178.db2.gz WJOUDVKVMKAEEU-RYUDHWBXSA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001369515414 896309633 /nfs/dbraw/zinc/30/96/33/896309633.db2.gz NUZONPIMRJEXKP-CHWSQXEVSA-N 2 0 287.404 -0.786 20 0 CBADRP CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001369572373 896316681 /nfs/dbraw/zinc/31/66/81/896316681.db2.gz OZNKQTPTQULRJK-BPCQOVAHSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@@H](C(=O)N(C)C1CC([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001369576834 896322280 /nfs/dbraw/zinc/32/22/80/896322280.db2.gz AQIRPCBDZHNNIO-MCIGGMRASA-N 2 0 284.404 -0.348 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001369754024 896333749 /nfs/dbraw/zinc/33/37/49/896333749.db2.gz SYCAXAXCGYVDEF-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C[C@H](O)COC)C1 ZINC001370042140 896389676 /nfs/dbraw/zinc/38/96/76/896389676.db2.gz QTYUWRSFBDIJIH-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001370530616 896441444 /nfs/dbraw/zinc/44/14/44/896441444.db2.gz DVVPTFQIQMPDLQ-JHJVBQTASA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC001370636103 896455013 /nfs/dbraw/zinc/45/50/13/896455013.db2.gz JWQRGDSNUCVZDB-TUAOUCFPSA-N 2 0 294.399 -0.404 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001370665138 896469940 /nfs/dbraw/zinc/46/99/40/896469940.db2.gz MEHZRVKRTMOWFC-XQQFMLRXSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@H](C)C(=O)NC ZINC001371412234 896606370 /nfs/dbraw/zinc/60/63/70/896606370.db2.gz WUWINNXGBSVVKR-GHMZBOCLSA-N 2 0 272.393 -0.443 20 0 CBADRP CC(C)CNC(=O)C[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001371468358 896617337 /nfs/dbraw/zinc/61/73/37/896617337.db2.gz GZTZKKCPBVYGFH-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP Cn1nncc1C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001371533283 896629859 /nfs/dbraw/zinc/62/98/59/896629859.db2.gz WSEHRVMYDBIRQT-LBPRGKRZSA-N 2 0 294.403 -0.153 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001371538308 896633640 /nfs/dbraw/zinc/63/36/40/896633640.db2.gz GVGQGQXCVBODPK-ZDUSSCGKSA-N 2 0 294.403 -0.190 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001371610761 896641143 /nfs/dbraw/zinc/64/11/43/896641143.db2.gz DEROBKBGQCOASI-LBPRGKRZSA-N 2 0 284.404 -0.489 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001371661507 896647310 /nfs/dbraw/zinc/64/73/10/896647310.db2.gz WONUTKZRMHGEQF-NWDGAFQWSA-N 2 0 284.404 -0.171 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C ZINC001371827895 896666564 /nfs/dbraw/zinc/66/65/64/896666564.db2.gz OQVUUBCFCSCEBT-WDEREUQCSA-N 2 0 272.393 -0.443 20 0 CBADRP CC[C@@H]([NH2+][C@H](C)CCNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001371880942 896674296 /nfs/dbraw/zinc/67/42/96/896674296.db2.gz MJJISHCDFUMXKO-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CCn1cccn1 ZINC001372223624 896749514 /nfs/dbraw/zinc/74/95/14/896749514.db2.gz ZUQFRYGPNMVEOP-CYBMUJFWSA-N 2 0 279.388 -0.117 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001372267343 896758631 /nfs/dbraw/zinc/75/86/31/896758631.db2.gz NKXBAUPMDSTFQI-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001372301145 896768855 /nfs/dbraw/zinc/76/88/55/896768855.db2.gz IEROHRZJSLPRJF-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001372319397 896772516 /nfs/dbraw/zinc/77/25/16/896772516.db2.gz WHFIMSDQBAMDNS-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001372547416 896808519 /nfs/dbraw/zinc/80/85/19/896808519.db2.gz DQQPOECFDVMXQR-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001372614731 896825963 /nfs/dbraw/zinc/82/59/63/896825963.db2.gz UDQXZPPNIQIUNF-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)C(N)=O ZINC001372940699 896906817 /nfs/dbraw/zinc/90/68/17/896906817.db2.gz ZQRVNZGJLGAANH-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP CC(C)N1CC[C@@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)C1=O ZINC001372948632 896912484 /nfs/dbraw/zinc/91/24/84/896912484.db2.gz PORAWRIAYDNHBG-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)CCC[NH+]1CCCC1 ZINC001372985416 896921456 /nfs/dbraw/zinc/92/14/56/896921456.db2.gz BCFBNINJOQYSGO-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001373394214 896996371 /nfs/dbraw/zinc/99/63/71/896996371.db2.gz VYTSFSXNPFMXLI-MELADBBJSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[C@@H](C(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001373453987 897019646 /nfs/dbraw/zinc/01/96/46/897019646.db2.gz GHLMQQKNGPVOKB-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP CC[C@H](C(=O)NCC1C[NH+](C[C@@H](O)COC)C1)[NH+](C)C ZINC001373517695 897041138 /nfs/dbraw/zinc/04/11/38/897041138.db2.gz UVNMHGSLSYLSEQ-CHWSQXEVSA-N 2 0 287.404 -0.618 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001373612804 897071373 /nfs/dbraw/zinc/07/13/73/897071373.db2.gz AAJHKJZVKCYBKU-AVGNSLFASA-N 2 0 285.388 -0.864 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001373615115 897072144 /nfs/dbraw/zinc/07/21/44/897072144.db2.gz NQOWIXFBHZRZDR-STQMWFEESA-N 2 0 285.388 -0.720 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001373637211 897086768 /nfs/dbraw/zinc/08/67/68/897086768.db2.gz HTSUSVYHZDRIRR-OLZOCXBDSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001373679567 897094226 /nfs/dbraw/zinc/09/42/26/897094226.db2.gz TWHAZZLERISJSE-HZSPNIEDSA-N 2 0 299.415 -0.379 20 0 CBADRP CC[C@H](C(=O)N(CC)[C@@H]1CCN(CC(=O)NC)C1)[NH+](C)C ZINC001373711337 897098906 /nfs/dbraw/zinc/09/89/06/897098906.db2.gz FSYLWDUSIHINAK-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC2(C[NH2+]CC(N)=O)CCCC2)C1 ZINC001373861988 897133484 /nfs/dbraw/zinc/13/34/84/897133484.db2.gz QKOAWKDXLXIXHA-LBPRGKRZSA-N 2 0 296.415 -0.168 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001373896742 897134500 /nfs/dbraw/zinc/13/45/00/897134500.db2.gz JOCYMSYIBLYSEV-NHYWBVRUSA-N 2 0 296.415 -0.312 20 0 CBADRP C[NH+](C)CCC(=O)NCCC1CC[NH+](CC(N)=O)CC1 ZINC001373947017 897140861 /nfs/dbraw/zinc/14/08/61/897140861.db2.gz RDPKEYGIESISER-UHFFFAOYSA-N 2 0 284.404 -0.358 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001373974002 897143565 /nfs/dbraw/zinc/14/35/65/897143565.db2.gz LPTVIQNMZWCACM-BFHYXJOUSA-N 2 0 299.415 -0.474 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001373966872 897144922 /nfs/dbraw/zinc/14/49/22/897144922.db2.gz ZZLQKAJHXXGTFM-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001374068849 897164024 /nfs/dbraw/zinc/16/40/24/897164024.db2.gz FHVVJILSQVQOGQ-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1nncn1C ZINC001374069716 897164380 /nfs/dbraw/zinc/16/43/80/897164380.db2.gz HJKAWYIZWLFFPN-LLVKDONJSA-N 2 0 282.392 -0.391 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@H]1CCN(C)C1=O ZINC001374068829 897164709 /nfs/dbraw/zinc/16/47/09/897164709.db2.gz FHVVJILSQVQOGQ-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCCNC1=O)N(C)C(=O)C[NH+]1CCCC1 ZINC001374323388 897212172 /nfs/dbraw/zinc/21/21/72/897212172.db2.gz BOSJHWCVBWLYCM-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001374333757 897217157 /nfs/dbraw/zinc/21/71/57/897217157.db2.gz ZMMUBOXDKHMFQK-NEPJUHHUSA-N 2 0 284.404 -0.348 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]([NH2+]CC(=O)NC)C(C)C)[NH+](C)C ZINC001374446216 897228210 /nfs/dbraw/zinc/22/82/10/897228210.db2.gz ZUFCDNLBXWUQAK-RYUDHWBXSA-N 2 0 286.420 -0.197 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001374560707 897258911 /nfs/dbraw/zinc/25/89/11/897258911.db2.gz DYVNUJPAOSHUTL-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP Cc1nocc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001374593682 897291126 /nfs/dbraw/zinc/29/11/26/897291126.db2.gz ZCEZOOVXSVZILM-STQMWFEESA-N 2 0 296.371 -0.356 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC1CN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001374670356 897338482 /nfs/dbraw/zinc/33/84/82/897338482.db2.gz SVXKLQGEEXBJMQ-CYBMUJFWSA-N 2 0 296.415 -0.252 20 0 CBADRP C[C@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001374704702 897349014 /nfs/dbraw/zinc/34/90/14/897349014.db2.gz ODUXMMSAVJNCKL-MNOVXSKESA-N 2 0 284.404 -0.314 20 0 CBADRP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374752817 897373536 /nfs/dbraw/zinc/37/35/36/897373536.db2.gz MMLNQTIXYRQEQP-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001374752611 897376487 /nfs/dbraw/zinc/37/64/87/897376487.db2.gz TVQSWRVPWZDJIS-UHFFFAOYSA-N 2 0 298.431 -0.005 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001374756464 897376686 /nfs/dbraw/zinc/37/66/86/897376686.db2.gz NOIZIQSXHFLFTC-KWCYVHTRSA-N 2 0 299.415 -0.570 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001374772313 897383108 /nfs/dbraw/zinc/38/31/08/897383108.db2.gz QLSADQHGWJLBBB-PWSUYJOCSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001374836315 897406470 /nfs/dbraw/zinc/40/64/70/897406470.db2.gz YYCMXAYZKGJUEA-LLVKDONJSA-N 2 0 292.387 -0.495 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)C[NH+]1CCCC1 ZINC001374846178 897406779 /nfs/dbraw/zinc/40/67/79/897406779.db2.gz GFBQWUCBRGQFQH-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CCn1nncc1C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C ZINC001374931099 897434627 /nfs/dbraw/zinc/43/46/27/897434627.db2.gz OEFAHCLBQLMJLQ-NSHDSACASA-N 2 0 282.392 -0.156 20 0 CBADRP CCn1nncc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001374923130 897435631 /nfs/dbraw/zinc/43/56/31/897435631.db2.gz ZVBXLLAVQZGODW-WCQYABFASA-N 2 0 294.403 -0.014 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001374981388 897446023 /nfs/dbraw/zinc/44/60/23/897446023.db2.gz FJZYNCPGEVTHPT-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP COC[C@@H](O)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001375153644 897486462 /nfs/dbraw/zinc/48/64/62/897486462.db2.gz LCHNXDIPPKCWDQ-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001375435663 897542243 /nfs/dbraw/zinc/54/22/43/897542243.db2.gz JEMGTTXPZQZUHK-VXGBXAGGSA-N 2 0 294.399 -0.273 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001375503824 897556560 /nfs/dbraw/zinc/55/65/60/897556560.db2.gz XXJDSVZFNOHGPO-YVECIDJPSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001375502738 897557180 /nfs/dbraw/zinc/55/71/80/897557180.db2.gz QPHUAXMARDZPIE-UTUOFQBUSA-N 2 0 296.415 -0.314 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001375514443 897558104 /nfs/dbraw/zinc/55/81/04/897558104.db2.gz VFHIBFRSNJFGHL-UTUOFQBUSA-N 2 0 282.388 -0.702 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001375544461 897562550 /nfs/dbraw/zinc/56/25/50/897562550.db2.gz OPNYRFDAUYZAIR-AULYBMBSSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001375558692 897565867 /nfs/dbraw/zinc/56/58/67/897565867.db2.gz HGDHAVFDEIGIOA-CYDGBPFRSA-N 2 0 296.415 -0.171 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC)C1 ZINC001375559450 897566147 /nfs/dbraw/zinc/56/61/47/897566147.db2.gz VUGFYXZALYENKP-HAQNSBGRSA-N 2 0 284.404 -0.441 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH+](CCO)CCO)C2)C1 ZINC001375624103 897577473 /nfs/dbraw/zinc/57/74/73/897577473.db2.gz XGEQNNYWALHSBG-KGLIPLIRSA-N 2 0 299.415 -0.784 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@]2(CC[NH+](CC(N)=O)C2)C1 ZINC001375645240 897581628 /nfs/dbraw/zinc/58/16/28/897581628.db2.gz RJCUVZUVPVQEOG-HNNXBMFYSA-N 2 0 296.415 -0.262 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001375769278 897607636 /nfs/dbraw/zinc/60/76/36/897607636.db2.gz XPRSKYWHJNPCKI-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CCOC)C1)[NH+](C)C ZINC001376100118 897653253 /nfs/dbraw/zinc/65/32/53/897653253.db2.gz ZSPPETSDOXMCHJ-JSGCOSHPSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H](C(=O)N(C)C)N1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001376151048 897675356 /nfs/dbraw/zinc/67/53/56/897675356.db2.gz LTCJHXLNJZNXOP-RYUDHWBXSA-N 2 0 284.404 -0.395 20 0 CBADRP CCCNC(=O)CN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001376155953 897676128 /nfs/dbraw/zinc/67/61/28/897676128.db2.gz QYJDJZDGGFNXLU-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001376279041 897701176 /nfs/dbraw/zinc/70/11/76/897701176.db2.gz HDFZEPWFGJHHAR-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001376312340 897709039 /nfs/dbraw/zinc/70/90/39/897709039.db2.gz DOFFDFCADHOQOI-ZOBORPQBSA-N 2 0 299.415 -0.476 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001376331506 897712171 /nfs/dbraw/zinc/71/21/71/897712171.db2.gz OJWVAXVFYJOHAJ-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001376348578 897716493 /nfs/dbraw/zinc/71/64/93/897716493.db2.gz XZMPPCAULNNGMO-AGIUHOORSA-N 2 0 285.388 -0.864 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001376397488 897722418 /nfs/dbraw/zinc/72/24/18/897722418.db2.gz DGINCWAWZSBZQK-IJLUTSLNSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC)C1)[NH+](C)C ZINC001376393134 897723100 /nfs/dbraw/zinc/72/31/00/897723100.db2.gz DSOKNHAILLANRG-BJDJZHNGSA-N 2 0 284.404 -0.302 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001376470838 897750131 /nfs/dbraw/zinc/75/01/31/897750131.db2.gz WGVXBNPPPVDGMG-SCRDCRAPSA-N 2 0 298.431 -0.102 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001376485397 897756034 /nfs/dbraw/zinc/75/60/34/897756034.db2.gz DMPVHRSMFYIYLP-RWMBFGLXSA-N 2 0 299.415 -0.285 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001376557003 897775995 /nfs/dbraw/zinc/77/59/95/897775995.db2.gz LPXUZDZUXFJIJV-CHWSQXEVSA-N 2 0 296.415 -0.488 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001376718628 897820080 /nfs/dbraw/zinc/82/00/80/897820080.db2.gz BCOJXCAETKZZRL-JQWIXIFHSA-N 2 0 282.388 -0.832 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCC1 ZINC001376735345 897827724 /nfs/dbraw/zinc/82/77/24/897827724.db2.gz CKEGOVSIIYPWMT-UHFFFAOYSA-N 2 0 296.415 -0.155 20 0 CBADRP CC(C)[C@@H](C(=O)NCC1([NH2+]CC(N)=O)CCC1)[NH+](C)C ZINC001376746620 897832942 /nfs/dbraw/zinc/83/29/42/897832942.db2.gz OSLDDJRDANJJIS-LBPRGKRZSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001376803971 897852084 /nfs/dbraw/zinc/85/20/84/897852084.db2.gz SYJKVWLMCYTLTO-NEPJUHHUSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@H]1CCCNC1=O ZINC001376804529 897854074 /nfs/dbraw/zinc/85/40/74/897854074.db2.gz CPILZGJOQNKPRZ-YPMHNXCESA-N 2 0 296.415 -0.299 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001376922612 897890803 /nfs/dbraw/zinc/89/08/03/897890803.db2.gz SQLQEJRFTTZUOP-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP Cn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001376941180 897896455 /nfs/dbraw/zinc/89/64/55/897896455.db2.gz MSEMFLWGEVMWKV-LBPRGKRZSA-N 2 0 294.403 -0.295 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)N(C)C ZINC001377025154 897915196 /nfs/dbraw/zinc/91/51/96/897915196.db2.gz PWZSRUJWLISVQQ-YNEHKIRRSA-N 2 0 298.431 -0.101 20 0 CBADRP CN(CCC[N@H+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001377017362 897915483 /nfs/dbraw/zinc/91/54/83/897915483.db2.gz IWEKGEYAENNJQV-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP CN(CCC[N@H+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001377017333 897915735 /nfs/dbraw/zinc/91/57/35/897915735.db2.gz IWEKGEYAENNJQV-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001377077308 897924852 /nfs/dbraw/zinc/92/48/52/897924852.db2.gz WSKNOUAJHPFUTR-WCQYABFASA-N 2 0 286.420 -0.197 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001377114398 897933137 /nfs/dbraw/zinc/93/31/37/897933137.db2.gz VTTSJCMWXWLERS-VXGBXAGGSA-N 2 0 286.420 -0.055 20 0 CBADRP COC[C@H](O)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001377126759 897935090 /nfs/dbraw/zinc/93/50/90/897935090.db2.gz DTGIMTXETGQHOB-VXGBXAGGSA-N 2 0 273.377 -0.864 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)CC1 ZINC001377164402 897956078 /nfs/dbraw/zinc/95/60/78/897956078.db2.gz YGBCACOZRWPIPV-OAHLLOKOSA-N 2 0 299.415 -0.736 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CCC[NH+](C)C ZINC001377277910 897996875 /nfs/dbraw/zinc/99/68/75/897996875.db2.gz JFROTESLBHCSLI-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001377433455 898050452 /nfs/dbraw/zinc/05/04/52/898050452.db2.gz UJKKZSSPIFVSOR-QJPTWQEYSA-N 2 0 284.404 -0.443 20 0 CBADRP CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001377449951 898051395 /nfs/dbraw/zinc/05/13/95/898051395.db2.gz KXJDKRWBZJIZHN-SDDRHHMPSA-N 2 0 284.404 -0.301 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001377488722 898063536 /nfs/dbraw/zinc/06/35/36/898063536.db2.gz QPBJFGBAJZKPTE-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)[C@@H](C)C(N)=O ZINC001377499517 898065017 /nfs/dbraw/zinc/06/50/17/898065017.db2.gz DTWINKNLPZSVSZ-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](O)C[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001377567032 898086118 /nfs/dbraw/zinc/08/61/18/898086118.db2.gz ITRYIBLMJIOZBO-CHWSQXEVSA-N 2 0 299.415 -0.596 20 0 CBADRP CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001377575748 898091173 /nfs/dbraw/zinc/09/11/73/898091173.db2.gz JWTWEJZFFGBOOV-OLZOCXBDSA-N 2 0 296.415 -0.360 20 0 CBADRP CC1CC[NH+](CC(=O)N(C)CC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001377590108 898097111 /nfs/dbraw/zinc/09/71/11/898097111.db2.gz DHFKXSKZZOXZNM-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001377597087 898102992 /nfs/dbraw/zinc/10/29/92/898102992.db2.gz JGBYHVFAXOYJSW-RYUDHWBXSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O)[NH+](C)C ZINC001377610894 898105490 /nfs/dbraw/zinc/10/54/90/898105490.db2.gz WIELKAQKSQBCSC-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001377607437 898106904 /nfs/dbraw/zinc/10/69/04/898106904.db2.gz IKAJBXVDCNQXRU-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP CC[C@@H](C(=O)NC1CC(C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001377735091 898123779 /nfs/dbraw/zinc/12/37/79/898123779.db2.gz HNZJVTQMIWHCKZ-ILDUYXDCSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H]([NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001377733527 898125955 /nfs/dbraw/zinc/12/59/55/898125955.db2.gz MKDJZLUNFQFCIJ-VOMCLLRMSA-N 2 0 282.388 -0.560 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001377766158 898133855 /nfs/dbraw/zinc/13/38/55/898133855.db2.gz GWLXXPDVPBGOFE-VXGBXAGGSA-N 2 0 282.388 -0.654 20 0 CBADRP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]CC(N)=O ZINC001377829660 898142750 /nfs/dbraw/zinc/14/27/50/898142750.db2.gz SAWMIFCUASDLBX-UWVGGRQHSA-N 2 0 270.377 -0.561 20 0 CBADRP CC[C@H](C(=O)NCC1C[NH+](C[C@H](O)COC)C1)[NH+](C)C ZINC001378012249 898196658 /nfs/dbraw/zinc/19/66/58/898196658.db2.gz UVNMHGSLSYLSEQ-QWHCGFSZSA-N 2 0 287.404 -0.618 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001378112472 898237471 /nfs/dbraw/zinc/23/74/71/898237471.db2.gz QLXBKKJEKKWABO-CYBMUJFWSA-N 2 0 299.415 -0.472 20 0 CBADRP CCNC(=O)CN(C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001378145344 898249560 /nfs/dbraw/zinc/24/95/60/898249560.db2.gz QOHGSEXIQQAAKQ-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)CN(C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001378141070 898250661 /nfs/dbraw/zinc/25/06/61/898250661.db2.gz MLRGISMTCOLUCV-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)[C@H]1CCNC1=O ZINC001378195651 898268781 /nfs/dbraw/zinc/26/87/81/898268781.db2.gz YJANAFAXFZKNLJ-RYUDHWBXSA-N 2 0 294.399 -0.593 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001378360602 898324293 /nfs/dbraw/zinc/32/42/93/898324293.db2.gz YDBHVJNKEYSLJK-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP CNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001378429177 898330428 /nfs/dbraw/zinc/33/04/28/898330428.db2.gz IBRNEYHISYDTIA-ABAIWWIYSA-N 2 0 296.415 -0.441 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCCNC1=O ZINC001378505894 898340258 /nfs/dbraw/zinc/34/02/58/898340258.db2.gz ORGLXXQZXVXHKU-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001378548327 898351361 /nfs/dbraw/zinc/35/13/61/898351361.db2.gz DTVYZDWYUABLHE-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]CC(N)=O ZINC001378609840 898366372 /nfs/dbraw/zinc/36/63/72/898366372.db2.gz CRGZPMCRLGMWNJ-GHMZBOCLSA-N 2 0 270.377 -0.845 20 0 CBADRP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1)C(=O)N(C)C ZINC001378636273 898374195 /nfs/dbraw/zinc/37/41/95/898374195.db2.gz FDTUIENIULQMPS-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001378643164 898378406 /nfs/dbraw/zinc/37/84/06/898378406.db2.gz JXWADJIEOPKLHE-OLZOCXBDSA-N 2 0 298.431 -0.242 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001378838196 898422979 /nfs/dbraw/zinc/42/29/79/898422979.db2.gz QNMNZJCZUVHYTE-GFCCVEGCSA-N 2 0 284.404 -0.360 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001378876916 898426592 /nfs/dbraw/zinc/42/65/92/898426592.db2.gz MINPXEJWZNVFGD-XUXIUFHCSA-N 2 0 299.415 -0.570 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001378912732 898430585 /nfs/dbraw/zinc/43/05/85/898430585.db2.gz OWMWGDLGFJLLFA-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CCNC(=O)C[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001378904930 898431149 /nfs/dbraw/zinc/43/11/49/898431149.db2.gz NVXPZUKJUDAKNX-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001378965798 898438400 /nfs/dbraw/zinc/43/84/00/898438400.db2.gz NYBLDQFMTNGMKX-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP CN(CC[N@H+](C)CCn1cncn1)C(=O)[C@H]1CCC[NH+]1C ZINC001379085511 898460598 /nfs/dbraw/zinc/46/05/98/898460598.db2.gz SFGCXZHGIWNMTR-CYBMUJFWSA-N 2 0 294.403 -0.238 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CC(N)=O)C1 ZINC001379147227 898473325 /nfs/dbraw/zinc/47/33/25/898473325.db2.gz HPDRFYCSXBIMNU-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)N(C)C ZINC001379136654 898474688 /nfs/dbraw/zinc/47/46/88/898474688.db2.gz ZQXLGCKMSAOGSV-YNEHKIRRSA-N 2 0 298.431 -0.149 20 0 CBADRP CC(C)[NH2+]C[C@@H](O)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001379208463 898505505 /nfs/dbraw/zinc/50/55/05/898505505.db2.gz KAPAGBSYTWASGV-GFCCVEGCSA-N 2 0 297.403 -0.467 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnns2)C1 ZINC001379280512 898535845 /nfs/dbraw/zinc/53/58/45/898535845.db2.gz DGJALRQPOLEUGU-ZJUUUORDSA-N 2 0 299.400 -0.944 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379278533 898536933 /nfs/dbraw/zinc/53/69/33/898536933.db2.gz QCSYEQRSWOZDAH-NEPJUHHUSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001379291584 898540462 /nfs/dbraw/zinc/54/04/62/898540462.db2.gz XVHQJYYZAYKDOM-WCQYABFASA-N 2 0 286.420 -0.245 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001379326034 898550430 /nfs/dbraw/zinc/55/04/30/898550430.db2.gz IDTPIKZJCMCKIR-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)C[N@H+](C)C(C)C ZINC001379327805 898552068 /nfs/dbraw/zinc/55/20/68/898552068.db2.gz LRZHMAWDFBTZLN-LLVKDONJSA-N 2 0 272.393 -0.362 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001379358263 898572840 /nfs/dbraw/zinc/57/28/40/898572840.db2.gz ASTOZSFTPQAYNE-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(N)=O ZINC001379371997 898586781 /nfs/dbraw/zinc/58/67/81/898586781.db2.gz MIRJODGGMWBGGT-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001379384924 898591823 /nfs/dbraw/zinc/59/18/23/898591823.db2.gz YJRBRXCLGAINLB-MNOVXSKESA-N 2 0 284.404 -0.301 20 0 CBADRP CC[NH2+][C@@H](CO)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001379394785 898598604 /nfs/dbraw/zinc/59/86/04/898598604.db2.gz GQIGOHJPMFPTBQ-LLVKDONJSA-N 2 0 283.376 -0.855 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001379421171 898606953 /nfs/dbraw/zinc/60/69/53/898606953.db2.gz SIPYDNAOWNCVGG-PWSUYJOCSA-N 2 0 282.388 -0.689 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001379448485 898617792 /nfs/dbraw/zinc/61/77/92/898617792.db2.gz JDBIOKJVGFOLOC-UPJWGTAASA-N 2 0 287.404 -0.570 20 0 CBADRP CN(C(=O)CC[NH+](C)C)C1CN(C(=O)C[NH+]2CCCC2)C1 ZINC001379446893 898617977 /nfs/dbraw/zinc/61/79/77/898617977.db2.gz PPBDKRZABJPOHG-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(=O)NC1CC1)NC(=O)C[NH+]1CCCC1 ZINC001379473332 898627887 /nfs/dbraw/zinc/62/78/87/898627887.db2.gz ZZWWBDFJYWIRTP-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)[NH2+][C@@H](CO)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001379499189 898641975 /nfs/dbraw/zinc/64/19/75/898641975.db2.gz SCVXMWPKOHVOSJ-CYBMUJFWSA-N 2 0 297.403 -0.467 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001379517818 898650783 /nfs/dbraw/zinc/65/07/83/898650783.db2.gz DOODHAQYSLWDPH-XQQFMLRXSA-N 2 0 287.404 -0.428 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001379561701 898669622 /nfs/dbraw/zinc/66/96/22/898669622.db2.gz ZXQZYIRPTRUQQY-DGCLKSJQSA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001379582951 898672374 /nfs/dbraw/zinc/67/23/74/898672374.db2.gz RDOZKUVWJKGJKG-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP CN(C[C@H](O)C[NH2+]Cc1cncn1C)C(=O)CC[NH+](C)C ZINC001379838220 898738563 /nfs/dbraw/zinc/73/85/63/898738563.db2.gz MARAJGDHVAEUEE-CYBMUJFWSA-N 2 0 297.403 -0.719 20 0 CBADRP CC[C@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001380070897 898799347 /nfs/dbraw/zinc/79/93/47/898799347.db2.gz YDMVEKCGXMYNIB-WDEREUQCSA-N 2 0 282.388 -0.417 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001380087508 898803573 /nfs/dbraw/zinc/80/35/73/898803573.db2.gz CYNZJEWZJFGPAU-VXGBXAGGSA-N 2 0 298.431 -0.195 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001380276170 898846903 /nfs/dbraw/zinc/84/69/03/898846903.db2.gz YZMQERPUSJICMC-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001380276161 898847207 /nfs/dbraw/zinc/84/72/07/898847207.db2.gz YZMQERPUSJICMC-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001380287527 898850022 /nfs/dbraw/zinc/85/00/22/898850022.db2.gz AMDKIDZUQOYORF-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP COC[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001380552927 898900815 /nfs/dbraw/zinc/90/08/15/898900815.db2.gz MBUOCANPHHEXSY-OCCSQVGLSA-N 2 0 287.404 -0.474 20 0 CBADRP CNC(=O)C[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001380804582 898951844 /nfs/dbraw/zinc/95/18/44/898951844.db2.gz YKAAIEATJTXGCI-UHFFFAOYSA-N 2 0 296.415 -0.392 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001381102912 898999956 /nfs/dbraw/zinc/99/99/56/898999956.db2.gz LLWWUPAGMRGQAJ-NWDGAFQWSA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)N(C)C ZINC001381221598 899013048 /nfs/dbraw/zinc/01/30/48/899013048.db2.gz CQZUNTINMRSOGR-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001381223492 899014181 /nfs/dbraw/zinc/01/41/81/899014181.db2.gz QACZXBYVDCUVMM-NSHDSACASA-N 2 0 282.388 -0.687 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001381277477 899020479 /nfs/dbraw/zinc/02/04/79/899020479.db2.gz CSSICOTXQZSMNH-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001381425244 899045714 /nfs/dbraw/zinc/04/57/14/899045714.db2.gz YMFNUUBHJWMUKB-WDEREUQCSA-N 2 0 272.393 -0.443 20 0 CBADRP CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001381484260 899058465 /nfs/dbraw/zinc/05/84/65/899058465.db2.gz IYOZQOOSAZNDQO-NSHDSACASA-N 2 0 284.404 -0.502 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@H]1CCN(C)C1=O ZINC001381639195 899100805 /nfs/dbraw/zinc/10/08/05/899100805.db2.gz AFCIMPJPIVTUKL-OLZOCXBDSA-N 2 0 298.431 -0.006 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001381953327 899134366 /nfs/dbraw/zinc/13/43/66/899134366.db2.gz KYXUTOSLOJWWES-SYQHCUMBSA-N 2 0 299.415 -0.428 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001381965396 899136758 /nfs/dbraw/zinc/13/67/58/899136758.db2.gz JHNAMUDOUQVIEZ-GMTAPVOTSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001381998107 899140076 /nfs/dbraw/zinc/14/00/76/899140076.db2.gz RNIPVNYCTGKVDN-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC001381975894 899140180 /nfs/dbraw/zinc/14/01/80/899140180.db2.gz ZYQMWZFISGIXBA-LPWJVIDDSA-N 2 0 298.431 -0.069 20 0 CBADRP CC[C@@H](C(=O)N1CCC([N@H+](C)CC(=O)NC)CC1)[NH+](C)C ZINC001381983496 899140708 /nfs/dbraw/zinc/14/07/08/899140708.db2.gz FHRDBFSALNBEHT-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001382051029 899147126 /nfs/dbraw/zinc/14/71/26/899147126.db2.gz NQYXRBULVJWLNF-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC)CC[N@@H+]1C ZINC001382063969 899149083 /nfs/dbraw/zinc/14/90/83/899149083.db2.gz CRZSPZAAAOXOFJ-FRRDWIJNSA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001382110883 899157829 /nfs/dbraw/zinc/15/78/29/899157829.db2.gz GQDXABZKOOGVNY-MNOVXSKESA-N 2 0 272.393 -0.491 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]CC[C@H]1CCOC1 ZINC001382269690 899224055 /nfs/dbraw/zinc/22/40/55/899224055.db2.gz AEAQITSHLAEMPO-KBPBESRZSA-N 2 0 299.415 -0.425 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCN(C)C(=O)CC[NH+](C)C ZINC001455289656 914327043 /nfs/dbraw/zinc/32/70/43/914327043.db2.gz YSRVKRSAWYULKK-UHFFFAOYSA-N 2 0 286.420 -0.147 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001382338869 899252737 /nfs/dbraw/zinc/25/27/37/899252737.db2.gz CFIPANFENLLKPZ-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001382338847 899254921 /nfs/dbraw/zinc/25/49/21/899254921.db2.gz CFIPANFENLLKPZ-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001455392550 914356172 /nfs/dbraw/zinc/35/61/72/914356172.db2.gz SWVBQVWINDVOLO-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001385165232 899551050 /nfs/dbraw/zinc/55/10/50/899551050.db2.gz IQCGVYSTOBUFAM-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001385348215 899564168 /nfs/dbraw/zinc/56/41/68/899564168.db2.gz ZJZUHHBXGHQUOL-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001385886847 899599361 /nfs/dbraw/zinc/59/93/61/899599361.db2.gz LEQUTKZLXVTKDB-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001388700981 899900970 /nfs/dbraw/zinc/90/09/70/899900970.db2.gz UBMCPFZKJSEVPQ-SDDRHHMPSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001388697975 899902278 /nfs/dbraw/zinc/90/22/78/899902278.db2.gz KTVQUFVPKNRBDV-TUAOUCFPSA-N 2 0 284.404 -0.443 20 0 CBADRP C[NH+](C)CCCC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001388685493 899902439 /nfs/dbraw/zinc/90/24/39/899902439.db2.gz WBGMLQUMBGSSRD-PHIMTYICSA-N 2 0 270.377 -0.702 20 0 CBADRP CC[N@H+](C)CCC(=O)NC1CN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001389442215 900015629 /nfs/dbraw/zinc/01/56/29/900015629.db2.gz ZDRIHBNRZPPGLR-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)CC[N@@H+]1C ZINC001389598862 900046376 /nfs/dbraw/zinc/04/63/76/900046376.db2.gz AHMDPEXTJFZUDF-JLLWLGSASA-N 2 0 282.388 -0.704 20 0 CBADRP C[C@H]([NH2+][C@@H](CNC(=O)C[N@H+](C)C1CCC1)C1CC1)C(N)=O ZINC001389609921 900049028 /nfs/dbraw/zinc/04/90/28/900049028.db2.gz QPEFJANVTASXNH-GWCFXTLKSA-N 2 0 296.415 -0.171 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)CC[N@@H+]1C ZINC001389618544 900050674 /nfs/dbraw/zinc/05/06/74/900050674.db2.gz WFOYEZAFXXFESZ-YNEHKIRRSA-N 2 0 296.415 -0.314 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]([NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001389693851 900057925 /nfs/dbraw/zinc/05/79/25/900057925.db2.gz QWLNADARUQPQKV-OLZOCXBDSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H](C(=O)NCC1CN(C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001389833127 900081261 /nfs/dbraw/zinc/08/12/61/900081261.db2.gz FRHIEXXPFSJNGO-ZDUSSCGKSA-N 2 0 298.431 -0.147 20 0 CBADRP CC[C@H](C(=O)NCC1CN(C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001389832897 900081391 /nfs/dbraw/zinc/08/13/91/900081391.db2.gz FRHIEXXPFSJNGO-CYBMUJFWSA-N 2 0 298.431 -0.147 20 0 CBADRP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001389863988 900085591 /nfs/dbraw/zinc/08/55/91/900085591.db2.gz VBPHNNUVIIUWHG-GVXVVHGQSA-N 2 0 294.399 -0.404 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001389894327 900090210 /nfs/dbraw/zinc/09/02/10/900090210.db2.gz CRRNKDOGSQBUAX-HAQNSBGRSA-N 2 0 294.403 -0.106 20 0 CBADRP CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001389986704 900101989 /nfs/dbraw/zinc/10/19/89/900101989.db2.gz JWLDYCKNGMMLSU-XQQFMLRXSA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001390013567 900103359 /nfs/dbraw/zinc/10/33/59/900103359.db2.gz VSNJYGUTAMXXSS-PHIMTYICSA-N 2 0 293.371 -0.286 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001389997938 900103547 /nfs/dbraw/zinc/10/35/47/900103547.db2.gz ISGHPUONYKMUOD-RWMBFGLXSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001390043950 900109307 /nfs/dbraw/zinc/10/93/07/900109307.db2.gz YNAMJILMYDGAPK-BETUJISGSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[C@H](C(=O)NC[C@H](C)[NH2+]CCN1CCNC1=O)[NH+](C)C ZINC001390421394 900156219 /nfs/dbraw/zinc/15/62/19/900156219.db2.gz XNTYITACLVMPFB-NWDGAFQWSA-N 2 0 299.419 -0.554 20 0 CBADRP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@@H](C)C(N)=O ZINC001390437666 900158189 /nfs/dbraw/zinc/15/81/89/900158189.db2.gz KDLMLRZILDREOW-QWRGUYRKSA-N 2 0 282.388 -0.417 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001390433876 900158197 /nfs/dbraw/zinc/15/81/97/900158197.db2.gz OAHMYPLCVREMCF-VXGBXAGGSA-N 2 0 284.404 -0.314 20 0 CBADRP COC[C@H](O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001390459646 900167258 /nfs/dbraw/zinc/16/72/58/900167258.db2.gz MKIKSEDQDOSVOW-IJLUTSLNSA-N 2 0 273.377 -0.818 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001390458523 900167657 /nfs/dbraw/zinc/16/76/57/900167657.db2.gz NJCXEPDOCGYDBS-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC(N)=O ZINC001390471548 900168999 /nfs/dbraw/zinc/16/89/99/900168999.db2.gz AQCGYMGJZXZQKG-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001390487098 900173719 /nfs/dbraw/zinc/17/37/19/900173719.db2.gz XOPHVYLABMAMOC-NWDGAFQWSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001390538773 900183946 /nfs/dbraw/zinc/18/39/46/900183946.db2.gz PAFSCUSQJVVIAL-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001390592127 900194509 /nfs/dbraw/zinc/19/45/09/900194509.db2.gz AXVLUXQSWDEZCL-LLVKDONJSA-N 2 0 270.377 -0.750 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nncn1C ZINC001390649654 900202508 /nfs/dbraw/zinc/20/25/08/900202508.db2.gz WHBZTOQWECVKJB-RYUDHWBXSA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cnnn1C ZINC001390647562 900203791 /nfs/dbraw/zinc/20/37/91/900203791.db2.gz QDIKXOFROYSHCV-YPMHNXCESA-N 2 0 294.403 -0.106 20 0 CBADRP C[C@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)N(C)C ZINC001390705658 900213400 /nfs/dbraw/zinc/21/34/00/900213400.db2.gz PLOSGZJLHODFLY-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)N(C)C(=O)CN(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001390857715 900266682 /nfs/dbraw/zinc/26/66/82/900266682.db2.gz COCNFNDOQMMOEW-ZDUSSCGKSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@@H](C(=O)NC1CC1)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001390859913 900269017 /nfs/dbraw/zinc/26/90/17/900269017.db2.gz IUOWZLCFCQTNOP-RYUDHWBXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001391100712 900308086 /nfs/dbraw/zinc/30/80/86/900308086.db2.gz VVCVQHUTAFMJNO-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001391112590 900313403 /nfs/dbraw/zinc/31/34/03/900313403.db2.gz CLEXKKNAZYZJQH-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001391108529 900313495 /nfs/dbraw/zinc/31/34/95/900313495.db2.gz HCUZZQICIRDAEG-NSHDSACASA-N 2 0 270.377 -0.748 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001391114381 900313872 /nfs/dbraw/zinc/31/38/72/900313872.db2.gz TVCIGUZNNDMUDX-OCCSQVGLSA-N 2 0 298.431 -0.243 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001391114386 900315360 /nfs/dbraw/zinc/31/53/60/900315360.db2.gz TVCIGUZNNDMUDX-TZMCWYRMSA-N 2 0 298.431 -0.243 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001391107430 900316738 /nfs/dbraw/zinc/31/67/38/900316738.db2.gz AVGMXPOTEVPCCI-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001391206529 900334706 /nfs/dbraw/zinc/33/47/06/900334706.db2.gz INKDCPUXMHRSNQ-DGCLKSJQSA-N 2 0 296.415 -0.489 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+][C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001391201062 900335913 /nfs/dbraw/zinc/33/59/13/900335913.db2.gz LCCFSDWHMVVIJG-YNEHKIRRSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001391210569 900338040 /nfs/dbraw/zinc/33/80/40/900338040.db2.gz FJFKQHZYHINIJT-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001391222188 900343523 /nfs/dbraw/zinc/34/35/23/900343523.db2.gz FDGJUTKEYYCPAA-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCCNC1=O)[NH+](C)C ZINC001391230225 900347431 /nfs/dbraw/zinc/34/74/31/900347431.db2.gz UDPGGKPSBYFIRI-STQMWFEESA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCCNC1=O)[NH+](C)C ZINC001391230214 900347527 /nfs/dbraw/zinc/34/75/27/900347527.db2.gz UDPGGKPSBYFIRI-OLZOCXBDSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(N)=O ZINC001391696142 900435506 /nfs/dbraw/zinc/43/55/06/900435506.db2.gz OSJJPOUEVUSVCB-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP NC(=O)C[NH+]1CCC(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001391849827 900451322 /nfs/dbraw/zinc/45/13/22/900451322.db2.gz DVPRVFKWLCDEQS-UHFFFAOYSA-N 2 0 296.415 -0.214 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001391922247 900463494 /nfs/dbraw/zinc/46/34/94/900463494.db2.gz SFTSOUMJDLKNPP-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+][C@@H]1CCNC1=O ZINC001391927267 900463804 /nfs/dbraw/zinc/46/38/04/900463804.db2.gz VRMLLRIGGQCOGG-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]CC(=O)N(C)C ZINC001391909659 900464498 /nfs/dbraw/zinc/46/44/98/900464498.db2.gz BISKUKGSWDNTGJ-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001391940411 900467596 /nfs/dbraw/zinc/46/75/96/900467596.db2.gz QLDRLXPFYPXMLM-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(=O)NC ZINC001392116230 900517505 /nfs/dbraw/zinc/51/75/05/900517505.db2.gz JJEKATSUPVNPGV-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001392127425 900520330 /nfs/dbraw/zinc/52/03/30/900520330.db2.gz VWPNKKGDMLRZQA-WDEREUQCSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(N)=O)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001392127419 900520510 /nfs/dbraw/zinc/52/05/10/900520510.db2.gz VWPNKKGDMLRZQA-GHMZBOCLSA-N 2 0 284.404 -0.362 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)C1 ZINC001456298679 914458316 /nfs/dbraw/zinc/45/83/16/914458316.db2.gz OXNQEKWVKTWJDE-WDEREUQCSA-N 2 0 253.346 -0.473 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001392346114 900573399 /nfs/dbraw/zinc/57/33/99/900573399.db2.gz QAIWQADHSPSDNZ-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(=O)NC ZINC001392357291 900581994 /nfs/dbraw/zinc/58/19/94/900581994.db2.gz UNWTYFHRQNYWPA-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP Cc1ncoc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001392388987 900597149 /nfs/dbraw/zinc/59/71/49/900597149.db2.gz HWWZNBGSIVKETN-VXGBXAGGSA-N 2 0 296.371 -0.356 20 0 CBADRP Cc1nocc1C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC001392425846 900613866 /nfs/dbraw/zinc/61/38/66/900613866.db2.gz IXWOANDDQYYZGU-ZDUSSCGKSA-N 2 0 298.387 -0.110 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)CNC(=O)CC[NH+](C)C)[NH+](C)C ZINC001392450110 900619587 /nfs/dbraw/zinc/61/95/87/900619587.db2.gz VKANGTCKJRCKIM-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001392506056 900640232 /nfs/dbraw/zinc/64/02/32/900640232.db2.gz SHUCXVDYJVMQCD-NEPJUHHUSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001392512708 900643831 /nfs/dbraw/zinc/64/38/31/900643831.db2.gz OYKDLALXWKSBBV-DGCLKSJQSA-N 2 0 296.415 -0.299 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001392525153 900649267 /nfs/dbraw/zinc/64/92/67/900649267.db2.gz MPKLJDOTFSOAAS-DGCLKSJQSA-N 2 0 286.420 -0.197 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001392593717 900669719 /nfs/dbraw/zinc/66/97/19/900669719.db2.gz YVHFVVOHDXUAAQ-JTQLQIEISA-N 2 0 270.377 -0.832 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001392595801 900670179 /nfs/dbraw/zinc/67/01/79/900670179.db2.gz AVGCNYGRHIGHKX-NSHDSACASA-N 2 0 292.383 -0.059 20 0 CBADRP CC[C@H]([NH2+]C[C@H](C)NC(=O)[C@H](CC)[NH+](C)C)C(N)=O ZINC001392598702 900670242 /nfs/dbraw/zinc/67/02/42/900670242.db2.gz XWAAEVPJCAMZKB-DCAQKATOSA-N 2 0 272.393 -0.315 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)C[NH+]1CCCC1 ZINC001392612274 900676558 /nfs/dbraw/zinc/67/65/58/900676558.db2.gz GFBQWUCBRGQFQH-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP COC[C@H](O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001392673983 900696742 /nfs/dbraw/zinc/69/67/42/900696742.db2.gz CRDVXHPXWAONAQ-YNEHKIRRSA-N 2 0 287.404 -0.476 20 0 CBADRP C[C@H]([NH2+]C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1CC1)C(N)=O ZINC001392760983 900717942 /nfs/dbraw/zinc/71/79/42/900717942.db2.gz ALDDAWDATIBAAU-GXFFZTMASA-N 2 0 296.415 -0.171 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001392814333 900731613 /nfs/dbraw/zinc/73/16/13/900731613.db2.gz UOCDXZUUDIJODD-QWHCGFSZSA-N 2 0 296.415 -0.489 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+][C@H](C)C(N)=O)CC1 ZINC001392905943 900758928 /nfs/dbraw/zinc/75/89/28/900758928.db2.gz GQYDVERDGZXQGW-VXGBXAGGSA-N 2 0 296.415 -0.027 20 0 CBADRP C[NH+](C)CCC(=O)NCC1([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001392931267 900762337 /nfs/dbraw/zinc/76/23/37/900762337.db2.gz YJGOVTIHPMVRTP-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001392992175 900772216 /nfs/dbraw/zinc/77/22/16/900772216.db2.gz OYTAIRCPCDEFJV-DOMZBBRYSA-N 2 0 296.415 -0.264 20 0 CBADRP NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001393039528 900784109 /nfs/dbraw/zinc/78/41/09/900784109.db2.gz CJSFAIOMULZXFC-QWHCGFSZSA-N 2 0 294.399 -0.606 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001393058405 900786919 /nfs/dbraw/zinc/78/69/19/900786919.db2.gz YMGWTAOSUHNYBL-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001393165279 900800256 /nfs/dbraw/zinc/80/02/56/900800256.db2.gz PODCRVLOTVXHJJ-WFASDCNBSA-N 2 0 296.415 -0.358 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001393380700 900849470 /nfs/dbraw/zinc/84/94/70/900849470.db2.gz FGBOVVWWXPORJH-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001393544289 900871514 /nfs/dbraw/zinc/87/15/14/900871514.db2.gz KYJBYJKFZVASBZ-UHFFFAOYSA-N 2 0 296.415 -0.155 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001393569141 900875739 /nfs/dbraw/zinc/87/57/39/900875739.db2.gz HXWYQNAWWGMDOC-UHFFFAOYSA-N 2 0 282.388 -0.543 20 0 CBADRP C[C@H](O)C[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001393719493 900895547 /nfs/dbraw/zinc/89/55/47/900895547.db2.gz OMFQGYQBUJRTBH-ZDUSSCGKSA-N 2 0 299.415 -0.282 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(N)=O)C1 ZINC001393740682 900899088 /nfs/dbraw/zinc/89/90/88/900899088.db2.gz JACDGAHYYFMBRH-MNOVXSKESA-N 2 0 270.377 -0.752 20 0 CBADRP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1[NH2+]CC(N)=O ZINC001393746411 900902227 /nfs/dbraw/zinc/90/22/27/900902227.db2.gz JAVYYHOHKKAMKN-QWRGUYRKSA-N 2 0 282.388 -0.750 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001393858653 900917543 /nfs/dbraw/zinc/91/75/43/900917543.db2.gz FPVZAGXLHIDBMP-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)[C@@H]1CCCNC1=O ZINC001394139335 900984092 /nfs/dbraw/zinc/98/40/92/900984092.db2.gz WCKBKDCCNLVDPB-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H](C(=O)N1CCC([N@H+](C)CC(=O)NC)CC1)[NH+](C)C ZINC001394394205 901022243 /nfs/dbraw/zinc/02/22/43/901022243.db2.gz FHRDBFSALNBEHT-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP CN(C(=O)C1(C[NH+](C)C)CC1)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001394441086 901026362 /nfs/dbraw/zinc/02/63/62/901026362.db2.gz VMLXLHVZBCUXLN-LBPRGKRZSA-N 2 0 296.415 -0.360 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001394536830 901046780 /nfs/dbraw/zinc/04/67/80/901046780.db2.gz FMPJNOFHUAXSMU-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)[NH2+]CC(N)=O ZINC001394533392 901047772 /nfs/dbraw/zinc/04/77/72/901047772.db2.gz HFPGWIWDHTUOMS-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP Cc1cncc(C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)c1 ZINC001394621605 901093437 /nfs/dbraw/zinc/09/34/37/901093437.db2.gz PIALIZQXRBWDIO-AWEZNQCLSA-N 2 0 294.399 -0.092 20 0 CBADRP CC[NH2+][C@@H](CO)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001394643580 901102986 /nfs/dbraw/zinc/10/29/86/901102986.db2.gz YVMSHPRMUFHQKA-GFCCVEGCSA-N 2 0 283.376 -0.855 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cccnc1)[NH+](C)C ZINC001394655776 901109646 /nfs/dbraw/zinc/10/96/46/901109646.db2.gz XHPAWSNDTYGXJW-KGLIPLIRSA-N 2 0 294.399 -0.012 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CN1C(=O)C[NH+]1CCCC1 ZINC001394667291 901117284 /nfs/dbraw/zinc/11/72/84/901117284.db2.gz IJYAOPUIXCLPMF-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CN(C[C@H](O)C[N@H+](C)CCCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001394772474 901149945 /nfs/dbraw/zinc/14/99/45/901149945.db2.gz XRUGMQFPTAACGS-OLZOCXBDSA-N 2 0 287.404 -0.786 20 0 CBADRP CC[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CCO)[NH+](C)C ZINC001394780013 901154743 /nfs/dbraw/zinc/15/47/43/901154743.db2.gz CPSBWTPTLGNJIW-RYUDHWBXSA-N 2 0 275.393 -0.930 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCO ZINC001397024223 901357191 /nfs/dbraw/zinc/35/71/91/901357191.db2.gz BWGZQGOJQBSCID-KBPBESRZSA-N 2 0 299.415 -0.520 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001397139950 901367192 /nfs/dbraw/zinc/36/71/92/901367192.db2.gz LAAYVGLLMICEDB-JOCQHMNTSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001397444059 901412430 /nfs/dbraw/zinc/41/24/30/901412430.db2.gz KJJZLCBAYMPXPI-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001397739594 901451382 /nfs/dbraw/zinc/45/13/82/901451382.db2.gz ZIGUPAKCMMYIAK-RWMBFGLXSA-N 2 0 296.415 -0.312 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001397928730 901480518 /nfs/dbraw/zinc/48/05/18/901480518.db2.gz NQMRPLZMWKAYCY-CYBMUJFWSA-N 2 0 298.431 -0.147 20 0 CBADRP CN(CCNC(=O)CCC[NH+](C)C)C(=O)C[NH+]1CCCC1 ZINC001398023689 901492022 /nfs/dbraw/zinc/49/20/22/901492022.db2.gz WXJWAFVKLYCVPE-UHFFFAOYSA-N 2 0 298.431 -0.001 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]([NH2+][C@H]1CCNC1=O)C1CC1 ZINC001398432103 901538384 /nfs/dbraw/zinc/53/83/84/901538384.db2.gz FJQBTOKTWRCMOM-NWDGAFQWSA-N 2 0 282.388 -0.689 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)CC1 ZINC001398437361 901538438 /nfs/dbraw/zinc/53/84/38/901538438.db2.gz YKTZKAUDBLJKJG-LBPRGKRZSA-N 2 0 282.388 -0.702 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001398454825 901542033 /nfs/dbraw/zinc/54/20/33/901542033.db2.gz QDXBYJKVXRMNCA-GFCCVEGCSA-N 2 0 282.388 -0.687 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001398613995 901576828 /nfs/dbraw/zinc/57/68/28/901576828.db2.gz AUEIXGUJUVAXQU-SDDRHHMPSA-N 2 0 296.415 -0.158 20 0 CBADRP CC[N@H+](C)CCC(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001398840417 901609524 /nfs/dbraw/zinc/60/95/24/901609524.db2.gz OOTKYBLTRWPGQC-UHFFFAOYSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001398961988 901641527 /nfs/dbraw/zinc/64/15/27/901641527.db2.gz BQGOIWYQEGXXDQ-NWDGAFQWSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC(N)=O ZINC001399101548 901666545 /nfs/dbraw/zinc/66/65/45/901666545.db2.gz MOOCSHLUDGXUIU-NSHDSACASA-N 2 0 270.377 -0.702 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001399110660 901668531 /nfs/dbraw/zinc/66/85/31/901668531.db2.gz RSZIKXQVLNKRDK-AAEUAGOBSA-N 2 0 296.419 -0.004 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCN1CCCC1=O ZINC001399112769 901669516 /nfs/dbraw/zinc/66/95/16/901669516.db2.gz LYOFWUDNFINIAV-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC(=O)N(C)C ZINC001399121510 901669854 /nfs/dbraw/zinc/66/98/54/901669854.db2.gz ZQOMBWHTSUMQDH-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001399230668 901686246 /nfs/dbraw/zinc/68/62/46/901686246.db2.gz CKVMPPYZPOODLM-NEPJUHHUSA-N 2 0 296.415 -0.360 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001399255791 901688150 /nfs/dbraw/zinc/68/81/50/901688150.db2.gz XTTGYWRZWKAKLT-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CCO ZINC001399431126 901715911 /nfs/dbraw/zinc/71/59/11/901715911.db2.gz UDEOUNJTNWNFSY-STQMWFEESA-N 2 0 287.404 -0.569 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[C@H](C)[NH2+]CCO ZINC001399431097 901717197 /nfs/dbraw/zinc/71/71/97/901717197.db2.gz UDEOUNJTNWNFSY-OLZOCXBDSA-N 2 0 287.404 -0.569 20 0 CBADRP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCN2C[C@H]3C)C1 ZINC001457420109 914561816 /nfs/dbraw/zinc/56/18/16/914561816.db2.gz ZRTKVQVJZPGFSY-MGPQQGTHSA-N 2 0 280.416 -0.073 20 0 CBADRP CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@H]1CCNC1=O ZINC001399763670 901793003 /nfs/dbraw/zinc/79/30/03/901793003.db2.gz YBWFMWNXLBKSFF-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001399921911 901835292 /nfs/dbraw/zinc/83/52/92/901835292.db2.gz CNIQRFXZADKOSB-CYBMUJFWSA-N 2 0 294.403 -0.332 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001399936669 901838778 /nfs/dbraw/zinc/83/87/78/901838778.db2.gz XXIWSSPSIJZTRQ-CYBMUJFWSA-N 2 0 296.415 -0.392 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001399958365 901846633 /nfs/dbraw/zinc/84/66/33/901846633.db2.gz XDUDTPBHROOWEW-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001400040237 901858111 /nfs/dbraw/zinc/85/81/11/901858111.db2.gz MOJINOFWSNYIBP-LBPRGKRZSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)N(C)C ZINC001400064819 901869289 /nfs/dbraw/zinc/86/92/89/901869289.db2.gz DOGSFOOXEBRMQP-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001400065921 901870037 /nfs/dbraw/zinc/87/00/37/901870037.db2.gz FQDNSXXVFQPWGF-NEPJUHHUSA-N 2 0 284.404 -0.395 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001400063051 901870151 /nfs/dbraw/zinc/87/01/51/901870151.db2.gz YEXFPYOLYJOFAM-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001400071243 901874655 /nfs/dbraw/zinc/87/46/55/901874655.db2.gz GDDATNVFWJOKLV-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001401009179 902041159 /nfs/dbraw/zinc/04/11/59/902041159.db2.gz MICPTJJRPWVNFQ-ABAIWWIYSA-N 2 0 296.415 -0.312 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001401117082 902057475 /nfs/dbraw/zinc/05/74/75/902057475.db2.gz OOBOGFRENFUNTA-YPMHNXCESA-N 2 0 286.420 -0.340 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001401117839 902057590 /nfs/dbraw/zinc/05/75/90/902057590.db2.gz WZTWQVLBPFSMLN-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]CC(N)=O ZINC001401131814 902060589 /nfs/dbraw/zinc/06/05/89/902060589.db2.gz IDSZVWSIMHVGRY-GHMZBOCLSA-N 2 0 270.377 -0.702 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001401136971 902064757 /nfs/dbraw/zinc/06/47/57/902064757.db2.gz HHVSXYWHTJCUBK-YPMHNXCESA-N 2 0 296.419 -0.003 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001401141353 902065137 /nfs/dbraw/zinc/06/51/37/902065137.db2.gz WXXWGYMESDAMNI-RYUDHWBXSA-N 2 0 284.404 -0.584 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)CC[NH+](C)C)CCCC1)C(N)=O ZINC001401182362 902070720 /nfs/dbraw/zinc/07/07/20/902070720.db2.gz KLFMALJIQCFHJG-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001401266419 902094828 /nfs/dbraw/zinc/09/48/28/902094828.db2.gz LZKBVOLKKZSXLB-LBPRGKRZSA-N 2 0 286.420 -0.149 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001401262285 902095575 /nfs/dbraw/zinc/09/55/75/902095575.db2.gz PSEDPLLPQIBUQJ-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001401295357 902100779 /nfs/dbraw/zinc/10/07/79/902100779.db2.gz KGCFQKCMLZCAKN-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP Cc1ncccc1C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C ZINC001401548021 902163697 /nfs/dbraw/zinc/16/36/97/902163697.db2.gz CWRGTZRIKRTQCU-AWEZNQCLSA-N 2 0 294.399 -0.092 20 0 CBADRP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001401604502 902186071 /nfs/dbraw/zinc/18/60/71/902186071.db2.gz VLSKNUFIZSQNDT-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001401686623 902230381 /nfs/dbraw/zinc/23/03/81/902230381.db2.gz VDRLNZPDCOEMID-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001401705339 902239395 /nfs/dbraw/zinc/23/93/95/902239395.db2.gz UOZSKJTYTAVAEX-AAEUAGOBSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001401706545 902240394 /nfs/dbraw/zinc/24/03/94/902240394.db2.gz UEYCQKKRAFYHFJ-JTQLQIEISA-N 2 0 270.377 -0.702 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001401847165 902290248 /nfs/dbraw/zinc/29/02/48/902290248.db2.gz VPEPHDFKTMPEQW-OLZOCXBDSA-N 2 0 296.415 -0.170 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001401866505 902291594 /nfs/dbraw/zinc/29/15/94/902291594.db2.gz JMIPYFAUEVBCFP-LBPRGKRZSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@H](O)C[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001401860663 902293646 /nfs/dbraw/zinc/29/36/46/902293646.db2.gz GOXUSQJZTKXHHL-WCQYABFASA-N 2 0 281.400 -0.053 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001401877469 902298192 /nfs/dbraw/zinc/29/81/92/902298192.db2.gz SFZNQVQHSOFYTH-JQWIXIFHSA-N 2 0 284.404 -0.443 20 0 CBADRP CC[C@H]([NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1)C(N)=O ZINC001401949481 902322989 /nfs/dbraw/zinc/32/29/89/902322989.db2.gz OVWICKCJHDPYHV-NSHDSACASA-N 2 0 296.415 -0.027 20 0 CBADRP CC[C@@H]([NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1)C(N)=O ZINC001401949475 902323620 /nfs/dbraw/zinc/32/36/20/902323620.db2.gz OVWICKCJHDPYHV-LLVKDONJSA-N 2 0 296.415 -0.027 20 0 CBADRP CCNC(=O)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001401967866 902326399 /nfs/dbraw/zinc/32/63/99/902326399.db2.gz ULNPYCGPMKYVTH-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001401976917 902329961 /nfs/dbraw/zinc/32/99/61/902329961.db2.gz IIYLCVMWLSJCKV-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[C@H]([NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1)C(N)=O ZINC001401984399 902331575 /nfs/dbraw/zinc/33/15/75/902331575.db2.gz IBCCUILCJHWBKZ-NSHDSACASA-N 2 0 282.388 -0.416 20 0 CBADRP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1)C(N)=O ZINC001402078523 902353560 /nfs/dbraw/zinc/35/35/60/902353560.db2.gz MWWPBRMMQAPNOO-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001402251445 902390093 /nfs/dbraw/zinc/39/00/93/902390093.db2.gz XFJFTZIFIDVCCL-OLZOCXBDSA-N 2 0 299.415 -0.426 20 0 CBADRP COC[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001402290722 902413745 /nfs/dbraw/zinc/41/37/45/902413745.db2.gz MUGHGPCRPNDNBT-ZFWWWQNUSA-N 2 0 299.415 -0.330 20 0 CBADRP C[NH+](C)CCC(=O)NCC1(O)C[NH+](CC2CCOCC2)C1 ZINC001402351942 902431488 /nfs/dbraw/zinc/43/14/88/902431488.db2.gz MRGAEIHQHZDVOC-UHFFFAOYSA-N 2 0 299.415 -0.472 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]([NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001402370066 902438696 /nfs/dbraw/zinc/43/86/96/902438696.db2.gz XNMJTKVCMZVPRB-OLZOCXBDSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H]([NH2+][C@H]1CCNC1=O)C1CC1 ZINC001402370068 902440596 /nfs/dbraw/zinc/44/05/96/902440596.db2.gz XNMJTKVCMZVPRB-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001402453637 902456303 /nfs/dbraw/zinc/45/63/03/902456303.db2.gz WRCSFPHQAGPACT-AVGNSLFASA-N 2 0 298.431 -0.006 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001402506416 902466378 /nfs/dbraw/zinc/46/63/78/902466378.db2.gz IOXNVGDAZMHSSC-DCAQKATOSA-N 2 0 270.377 -0.691 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1)[NH+](C)C ZINC001402533983 902472146 /nfs/dbraw/zinc/47/21/46/902472146.db2.gz IUWPDNNZDAOQGM-LPWJVIDDSA-N 2 0 296.415 -0.158 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001402546745 902475253 /nfs/dbraw/zinc/47/52/53/902475253.db2.gz FCFXZLKDNPYHTR-JHJVBQTASA-N 2 0 287.404 -0.429 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001402549097 902476392 /nfs/dbraw/zinc/47/63/92/902476392.db2.gz MVKMPDLSROZBSD-HAQNSBGRSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001402605985 902490089 /nfs/dbraw/zinc/49/00/89/902490089.db2.gz DKLIOBWOADPCSV-WISYIIOYSA-N 2 0 282.388 -0.548 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001402604856 902491166 /nfs/dbraw/zinc/49/11/66/902491166.db2.gz GCDJHZXJFQZFGC-WCFLWFBJSA-N 2 0 296.415 -0.158 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1C[C@H]([NH2+][C@@H](CC)C(N)=O)C1)[NH+](C)C ZINC001402635153 902494244 /nfs/dbraw/zinc/49/42/44/902494244.db2.gz UCXUJWTZTUTZPV-WHOHXGKFSA-N 2 0 284.404 -0.173 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001402631648 902494389 /nfs/dbraw/zinc/49/43/89/902494389.db2.gz VRHWZAPQVSRVAL-XQQFMLRXSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1)C(N)=O ZINC001402642242 902498826 /nfs/dbraw/zinc/49/88/26/902498826.db2.gz FDVWLCBJJOPDON-UPJWGTAASA-N 2 0 296.415 -0.027 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001402702627 902504923 /nfs/dbraw/zinc/50/49/23/902504923.db2.gz VEFWOUNECMCMDQ-CHWSQXEVSA-N 2 0 296.415 -0.358 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001402713821 902509276 /nfs/dbraw/zinc/50/92/76/902509276.db2.gz HSBMRIVTWCZGSQ-RYUDHWBXSA-N 2 0 282.388 -0.748 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[C@H](C)[NH2+][C@H](C)C(N)=O ZINC001402861501 902542134 /nfs/dbraw/zinc/54/21/34/902542134.db2.gz LXXUVKMSIODBSG-WDEREUQCSA-N 2 0 272.393 -0.315 20 0 CBADRP Cc1ncoc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001402865691 902543961 /nfs/dbraw/zinc/54/39/61/902543961.db2.gz LHEPCRQLSXFFCY-GWCFXTLKSA-N 2 0 296.371 -0.092 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)[C@H]1CCC[NH+]1C ZINC001458250639 914634557 /nfs/dbraw/zinc/63/45/57/914634557.db2.gz TZEDDLNPLCUJLD-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001402888796 902553537 /nfs/dbraw/zinc/55/35/37/902553537.db2.gz OUQPJZISVWWMGK-VXGBXAGGSA-N 2 0 284.404 -0.301 20 0 CBADRP C[N@H+](CC(=O)NC1CC(C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001402928899 902564995 /nfs/dbraw/zinc/56/49/95/902564995.db2.gz VQXMRZJFEQYZGP-UHFFFAOYSA-N 2 0 282.388 -0.560 20 0 CBADRP CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001402953241 902573311 /nfs/dbraw/zinc/57/33/11/902573311.db2.gz SWDMMCPYDYCCRD-WXRRBKDZSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001403008475 902592222 /nfs/dbraw/zinc/59/22/22/902592222.db2.gz XVKPSWILIFYUPG-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001403032718 902598448 /nfs/dbraw/zinc/59/84/48/902598448.db2.gz JHGRJCFVOFIEMD-RYUDHWBXSA-N 2 0 286.420 -0.055 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C ZINC001403056272 902602679 /nfs/dbraw/zinc/60/26/79/902602679.db2.gz WSOGVACXIRVZCS-LBPRGKRZSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@H]1CCCNC1=O ZINC001403075468 902609698 /nfs/dbraw/zinc/60/96/98/902609698.db2.gz KPAQRVQETLENFL-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N1CCC1 ZINC001403128193 902624076 /nfs/dbraw/zinc/62/40/76/902624076.db2.gz DNVYCUYKRQELQQ-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+][C@@H](C)C(N)=O ZINC001403154050 902631539 /nfs/dbraw/zinc/63/15/39/902631539.db2.gz AZLBQFUAZBXKGA-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+][C@H](C)C(N)=O ZINC001403154057 902632794 /nfs/dbraw/zinc/63/27/94/902632794.db2.gz AZLBQFUAZBXKGA-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1(CCO)CN(CCCF)C1 ZINC001403205764 902647316 /nfs/dbraw/zinc/64/73/16/902647316.db2.gz ZSXYMEYEOGKQMW-LBPRGKRZSA-N 2 0 287.379 -0.007 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001403213352 902649944 /nfs/dbraw/zinc/64/99/44/902649944.db2.gz NWOCDXZRFNREFX-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001403215714 902651028 /nfs/dbraw/zinc/65/10/28/902651028.db2.gz YKUSKMWBOYDLBN-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001403259715 902658590 /nfs/dbraw/zinc/65/85/90/902658590.db2.gz WWLRGOXUZTXMMD-LBPRGKRZSA-N 2 0 284.404 -0.536 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@H]([NH2+]CC(N)=O)C2)CCC1 ZINC001403279475 902662956 /nfs/dbraw/zinc/66/29/56/902662956.db2.gz COLPQBXRJVMVMI-RYUDHWBXSA-N 2 0 296.415 -0.027 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]2C1 ZINC001403404560 902683814 /nfs/dbraw/zinc/68/38/14/902683814.db2.gz FKOFIUSRGWJTCS-YNEHKIRRSA-N 2 0 296.415 -0.360 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001403442952 902693070 /nfs/dbraw/zinc/69/30/70/902693070.db2.gz SWDMMCPYDYCCRD-AVGNSLFASA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[N@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001403466383 902695527 /nfs/dbraw/zinc/69/55/27/902695527.db2.gz KBBWQIRELGMDLE-UHFFFAOYSA-N 2 0 298.431 -0.005 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001403465558 902696078 /nfs/dbraw/zinc/69/60/78/902696078.db2.gz JJCOGTHLFGUANK-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001403471030 902696435 /nfs/dbraw/zinc/69/64/35/902696435.db2.gz RUKGQNHHVGRHBQ-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001403522371 902713442 /nfs/dbraw/zinc/71/34/42/902713442.db2.gz IYSNXTRFBJXAAW-STQMWFEESA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@@H](C(=O)N(C)[C@H](C[NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001403543663 902726110 /nfs/dbraw/zinc/72/61/10/902726110.db2.gz YUFFWPCWEDWEPB-NWDGAFQWSA-N 2 0 284.404 -0.362 20 0 CBADRP CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001403593144 902745070 /nfs/dbraw/zinc/74/50/70/902745070.db2.gz DGACPEILLHNRPX-QWRGUYRKSA-N 2 0 272.393 -0.362 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001403736431 902828337 /nfs/dbraw/zinc/82/83/37/902828337.db2.gz PZNDJDLPPTYHFF-LBPRGKRZSA-N 2 0 285.388 -0.863 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001403808955 902856926 /nfs/dbraw/zinc/85/69/26/902856926.db2.gz QVJOAKSZXQINNS-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCCN1[C@H]1CCNC1=O ZINC001404020393 902924117 /nfs/dbraw/zinc/92/41/17/902924117.db2.gz LHWICDWQMQGQEU-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001404084537 902937210 /nfs/dbraw/zinc/93/72/10/902937210.db2.gz MMXIXMRMOZSLDH-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001458793515 914678750 /nfs/dbraw/zinc/67/87/50/914678750.db2.gz DZXQXKRGXKNJMB-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001404329831 902973106 /nfs/dbraw/zinc/97/31/06/902973106.db2.gz RPXMVMOBFHUYTB-NSHDSACASA-N 2 0 284.404 -0.489 20 0 CBADRP CC[C@H]([NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(N)=O ZINC001404321816 902973162 /nfs/dbraw/zinc/97/31/62/902973162.db2.gz MAYGWJWFYLXIIB-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[C@@H]([NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(N)=O ZINC001404321821 902973817 /nfs/dbraw/zinc/97/38/17/902973817.db2.gz MAYGWJWFYLXIIB-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[C@H]([NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(N)=O ZINC001404321805 902975204 /nfs/dbraw/zinc/97/52/04/902975204.db2.gz MAYGWJWFYLXIIB-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001404519085 902995667 /nfs/dbraw/zinc/99/56/67/902995667.db2.gz PBPUVLVIPZYJBT-CHWSQXEVSA-N 2 0 296.415 -0.358 20 0 CBADRP NC(=O)C[N@@H+]1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001404510337 902995760 /nfs/dbraw/zinc/99/57/60/902995760.db2.gz FDKVBXHWDCZYQX-LBPRGKRZSA-N 2 0 294.399 -0.604 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001404594982 903003224 /nfs/dbraw/zinc/00/32/24/903003224.db2.gz FRYTYALQSYGHDR-LBPRGKRZSA-N 2 0 294.399 -0.652 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCCN([C@@H](C)C(N)=O)C1 ZINC001404707931 903016353 /nfs/dbraw/zinc/01/63/53/903016353.db2.gz HNHSABRPJHWUDM-RYUDHWBXSA-N 2 0 284.404 -0.219 20 0 CBADRP COC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001404978250 903066673 /nfs/dbraw/zinc/06/66/73/903066673.db2.gz CNGOMKYWZZQIHF-RWMBFGLXSA-N 2 0 285.388 -0.770 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)CC[NH+](C)C ZINC001405172605 903093642 /nfs/dbraw/zinc/09/36/42/903093642.db2.gz LZPYKFNZBFVLBD-GFCCVEGCSA-N 2 0 286.420 -0.147 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]CC(N)=O ZINC001405244925 903127011 /nfs/dbraw/zinc/12/70/11/903127011.db2.gz AYXYSKGNHMXWEQ-IVZWLZJFSA-N 2 0 279.344 -0.517 20 0 CBADRP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@H](C)C(=O)NC ZINC001405287909 903137731 /nfs/dbraw/zinc/13/77/31/903137731.db2.gz JMPZJICIZBFZME-YPMHNXCESA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001405363860 903157779 /nfs/dbraw/zinc/15/77/79/903157779.db2.gz SBSKXNUURUAVMY-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP CNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001405429106 903165602 /nfs/dbraw/zinc/16/56/02/903165602.db2.gz BDYWAJFYJYMKRA-WFASDCNBSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001405723863 903210005 /nfs/dbraw/zinc/21/00/05/903210005.db2.gz VRTZPTROMLCGPV-NEPJUHHUSA-N 2 0 286.420 -0.197 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1)C(N)=O ZINC001405777484 903215646 /nfs/dbraw/zinc/21/56/46/903215646.db2.gz WXKQLLFZWJYTQF-GFCCVEGCSA-N 2 0 296.415 -0.025 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O ZINC001405824516 903230471 /nfs/dbraw/zinc/23/04/71/903230471.db2.gz ZCXWPQUDUVZKCG-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]CC(N)=O ZINC001406046719 903259791 /nfs/dbraw/zinc/25/97/91/903259791.db2.gz UCMCBCPFFGYMAB-YPMHNXCESA-N 2 0 286.420 -0.212 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001406271596 903334363 /nfs/dbraw/zinc/33/43/63/903334363.db2.gz CUVLUOBMUZZWHJ-AAEUAGOBSA-N 2 0 298.387 -0.110 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](O)C[NH2+]CC1CC1 ZINC001406283875 903342310 /nfs/dbraw/zinc/34/23/10/903342310.db2.gz JOLSMQIRZPCJMV-OCCSQVGLSA-N 2 0 299.415 -0.569 20 0 CBADRP C[C@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001406308180 903350457 /nfs/dbraw/zinc/35/04/57/903350457.db2.gz FLYJTYCNJPDUTI-MNOVXSKESA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](CC[NH2+][C@H]1CCCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001406310913 903351297 /nfs/dbraw/zinc/35/12/97/903351297.db2.gz JPRQCFQNWATBGK-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001406336021 903364001 /nfs/dbraw/zinc/36/40/01/903364001.db2.gz WPZDSXJQHFCAFA-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001406359248 903373460 /nfs/dbraw/zinc/37/34/60/903373460.db2.gz BVLFLALHCKFEOA-DGCLKSJQSA-N 2 0 296.415 -0.441 20 0 CBADRP CC(C)CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001406380811 903383215 /nfs/dbraw/zinc/38/32/15/903383215.db2.gz LUWAFASPOVEAKF-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)NC(=O)CCC[NH+]1CCCCC1 ZINC001406433744 903398659 /nfs/dbraw/zinc/39/86/59/903398659.db2.gz OLQBABMVGLMRFW-GFCCVEGCSA-N 2 0 284.404 -0.168 20 0 CBADRP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)C[NH+]1CCCC1 ZINC001406431712 903400795 /nfs/dbraw/zinc/40/07/95/903400795.db2.gz LOPWEBFLOCGGFU-LLVKDONJSA-N 2 0 280.376 -0.495 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001406426114 903401075 /nfs/dbraw/zinc/40/10/75/903401075.db2.gz ANWHBCJQOIJUSF-LLVKDONJSA-N 2 0 292.383 -0.059 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001406509455 903419002 /nfs/dbraw/zinc/41/90/02/903419002.db2.gz AZPILDHLBFCGRC-AAEUAGOBSA-N 2 0 294.403 -0.106 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001406548693 903429599 /nfs/dbraw/zinc/42/95/99/903429599.db2.gz QNRYOVHTRZMCBO-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC(N)=O)CC1 ZINC001406543160 903429899 /nfs/dbraw/zinc/42/98/99/903429899.db2.gz IKMAUHRUQFZFJZ-NSHDSACASA-N 2 0 284.404 -0.314 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001406548695 903430808 /nfs/dbraw/zinc/43/08/08/903430808.db2.gz QNRYOVHTRZMCBO-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001406783444 903480476 /nfs/dbraw/zinc/48/04/76/903480476.db2.gz IMAHEZYMPODUQS-QWHCGFSZSA-N 2 0 294.399 -0.545 20 0 CBADRP C[NH+](C)CCC(=O)NCC1([NH2+]CCN2CCNC2=O)CC1 ZINC001406956582 903516513 /nfs/dbraw/zinc/51/65/13/903516513.db2.gz NBMCAQWVPGWORJ-UHFFFAOYSA-N 2 0 297.403 -0.798 20 0 CBADRP CC[C@@H]([NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CC1)C(N)=O ZINC001406981786 903522543 /nfs/dbraw/zinc/52/25/43/903522543.db2.gz BBRJFPNMDVEKCX-MNOVXSKESA-N 2 0 284.404 -0.171 20 0 CBADRP NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001407117000 903546154 /nfs/dbraw/zinc/54/61/54/903546154.db2.gz VLKUNKAIXSWQPO-ZDUSSCGKSA-N 2 0 296.415 -0.072 20 0 CBADRP NC(=O)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001407168180 903552514 /nfs/dbraw/zinc/55/25/14/903552514.db2.gz KDZQXTCLIIPXLZ-CYBMUJFWSA-N 2 0 296.415 -0.168 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001407241207 903560908 /nfs/dbraw/zinc/56/09/08/903560908.db2.gz RUMZVFDQXHKPJT-WFASDCNBSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001407369875 903583919 /nfs/dbraw/zinc/58/39/19/903583919.db2.gz SOKJFGVKNHSBEF-WFASDCNBSA-N 2 0 299.415 -0.738 20 0 CBADRP CO[C@@H](C)C[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001407378648 903589155 /nfs/dbraw/zinc/58/91/55/903589155.db2.gz DLWHLSILLBJXFN-DZGCQCFKSA-N 2 0 299.415 -0.330 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001407537643 903626021 /nfs/dbraw/zinc/62/60/21/903626021.db2.gz HLXGWOSFHYKTNG-NEPJUHHUSA-N 2 0 284.404 -0.362 20 0 CBADRP CC[C@H](C(=O)N[C@]1(CO)CCC[N@H+](CCO)C1)[NH+](C)C ZINC001407631757 903638017 /nfs/dbraw/zinc/63/80/17/903638017.db2.gz RXMZAMJMSDXZMG-TZMCWYRMSA-N 2 0 287.404 -0.738 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC(N)=O)CC1 ZINC001407891081 903676047 /nfs/dbraw/zinc/67/60/47/903676047.db2.gz MLMYCLZOYDMMSI-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP CN(CCC[N@H+](C)[C@@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001407923419 903679252 /nfs/dbraw/zinc/67/92/52/903679252.db2.gz IOVOHZCCIBDICL-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP O=C(N1CCC[C@](CO)([NH2+]CCF)C1)C12CC[NH+](CC1)C2 ZINC001408029027 903691264 /nfs/dbraw/zinc/69/12/64/903691264.db2.gz SLMVDWUXNPOZAX-HNNXBMFYSA-N 2 0 299.390 -0.005 20 0 CBADRP C[NH+](C)C1(C(=O)N2CCC[C@](CO)([NH2+]CCO)C2)CCC1 ZINC001408037613 903694642 /nfs/dbraw/zinc/69/46/42/903694642.db2.gz NJUSFRZKIOMVGC-AWEZNQCLSA-N 2 0 299.415 -0.594 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](C)NC(=O)CC[NH+](C)C ZINC001408183724 903728430 /nfs/dbraw/zinc/72/84/30/903728430.db2.gz FNPYJYZCQDBTFA-LBPRGKRZSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(N)=O ZINC001408212248 903730988 /nfs/dbraw/zinc/73/09/88/903730988.db2.gz PQSHEYBIHCZOQR-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H](O)C[NH+]1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001408283969 903745306 /nfs/dbraw/zinc/74/53/06/903745306.db2.gz ZVQRVCSNJVGYQX-LBPRGKRZSA-N 2 0 287.404 -0.738 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001408303501 903749743 /nfs/dbraw/zinc/74/97/43/903749743.db2.gz RYBWAOTUJDGOCL-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[N@H+](CCO)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001408348213 903755372 /nfs/dbraw/zinc/75/53/72/903755372.db2.gz ZOLIUPHLSBABLE-ZDUSSCGKSA-N 2 0 281.400 -0.003 20 0 CBADRP C[C@H]([NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001409289994 903878268 /nfs/dbraw/zinc/87/82/68/903878268.db2.gz FKQKSFSTOKTRGK-HIFPTAJRSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001409425852 903904507 /nfs/dbraw/zinc/90/45/07/903904507.db2.gz LDASQBUQFKGEOC-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP CCCC[C@@H](C[NH2+]CC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001409851490 903975741 /nfs/dbraw/zinc/97/57/41/903975741.db2.gz TXJFNDDRSBDZJL-LBPRGKRZSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001410227234 904047531 /nfs/dbraw/zinc/04/75/31/904047531.db2.gz RGBAVGFWFMDRFJ-IJLUTSLNSA-N 2 0 294.399 -0.560 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001410233709 904048391 /nfs/dbraw/zinc/04/83/91/904048391.db2.gz YBCFVFRUDQDXTN-JHJVBQTASA-N 2 0 296.415 -0.441 20 0 CBADRP CC(C)[C@H](C(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001410335354 904072339 /nfs/dbraw/zinc/07/23/39/904072339.db2.gz UZMLGVHZAXMMAN-GXTWGEPZSA-N 2 0 298.431 -0.116 20 0 CBADRP C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+][C@@H](C)C(N)=O ZINC001410412330 904094570 /nfs/dbraw/zinc/09/45/70/904094570.db2.gz FWSHLVAEAJZIBE-NEPJUHHUSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H]1CCN(C)C1=O ZINC001410445569 904103214 /nfs/dbraw/zinc/10/32/14/904103214.db2.gz WIZOCTXKCQFKQD-VXGBXAGGSA-N 2 0 284.404 -0.395 20 0 CBADRP C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCO)[NH+]1CCCCCC1 ZINC001410732411 904173966 /nfs/dbraw/zinc/17/39/66/904173966.db2.gz SPHWOFWOECWNSC-STQMWFEESA-N 2 0 287.404 -0.690 20 0 CBADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H](CO)[NH2+]CCO)c1 ZINC001410789821 904186491 /nfs/dbraw/zinc/18/64/91/904186491.db2.gz PSWGZCNRIJZICJ-AWEZNQCLSA-N 2 0 295.383 -0.579 20 0 CBADRP C[NH+](C)CCC(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001410825833 904192254 /nfs/dbraw/zinc/19/22/54/904192254.db2.gz OWBMXSJAIULCBG-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001410867337 904199426 /nfs/dbraw/zinc/19/94/26/904199426.db2.gz PTEUTXWJFQHRBZ-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP COCC[N@H+](CCO)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001411213717 904263063 /nfs/dbraw/zinc/26/30/63/904263063.db2.gz HAIKOABJZCMJOC-LBPRGKRZSA-N 2 0 273.377 -0.863 20 0 CBADRP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC001412835588 904747683 /nfs/dbraw/zinc/74/76/83/904747683.db2.gz FLVABWHUHQMBTM-HIFRSBDPSA-N 2 0 298.431 -0.805 20 0 CBADRP C[NH+]1CCN(C2CN(C(=O)CC[N@@H+]3CC[C@H](F)C3)C2)CC1 ZINC001412895125 904788066 /nfs/dbraw/zinc/78/80/66/904788066.db2.gz HBDINSYLZODLPN-ZDUSSCGKSA-N 2 0 298.406 -0.122 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)C(C)(C)O ZINC001412969057 904832000 /nfs/dbraw/zinc/83/20/00/904832000.db2.gz XKUHXLCJKBRUHP-CYBMUJFWSA-N 2 0 273.421 -0.313 20 0 CBADRP CC[NH+]1CCC(NS(=O)(=O)N2CCN(C)CC2)CC1 ZINC001413268374 904985877 /nfs/dbraw/zinc/98/58/77/904985877.db2.gz OGLUMPFCMZTKFL-UHFFFAOYSA-N 2 0 290.433 -0.448 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](C)[NH+](C)C ZINC001413724749 905180688 /nfs/dbraw/zinc/18/06/88/905180688.db2.gz DFTNEKISYAUSAR-OLZOCXBDSA-N 2 0 285.436 -0.128 20 0 CBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)C(N)=O ZINC001507442950 921822516 /nfs/dbraw/zinc/82/25/16/921822516.db2.gz KXAIXGHEKMSDJA-WDEREUQCSA-N 2 0 284.404 -0.362 20 0 CBADRP C[NH+](C)CCC(=O)NCC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001416126594 905715613 /nfs/dbraw/zinc/71/56/13/905715613.db2.gz OAGZNTGKLQOYHJ-ZDUSSCGKSA-N 2 0 296.415 -0.536 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001416815448 905809569 /nfs/dbraw/zinc/80/95/69/905809569.db2.gz GZELUMCKVNDZHJ-AGIUHOORSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@H](C(=O)NC[C@@H]1CCN1C(=O)CC[NH+](C)C)[NH+](C)C ZINC001417042451 905855453 /nfs/dbraw/zinc/85/54/53/905855453.db2.gz HABLLZHWPUQWSD-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001417769566 906048999 /nfs/dbraw/zinc/04/89/99/906048999.db2.gz DDMHHFVFDXVOOG-FRRDWIJNSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001417801154 906058667 /nfs/dbraw/zinc/05/86/67/906058667.db2.gz WQQIYFLGPXZQKI-IJLUTSLNSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001417813452 906059963 /nfs/dbraw/zinc/05/99/63/906059963.db2.gz OCVVMAKLDZMZMQ-FRRDWIJNSA-N 2 0 296.415 -0.170 20 0 CBADRP C[N@H+](CC(=O)N1C[C@H]2CC[NH+](C)[C@H]2C1)[C@@H]1CCC[C@H]1O ZINC001417873794 906084829 /nfs/dbraw/zinc/08/48/29/906084829.db2.gz MTOFOABXZSECAC-YIYPIFLZSA-N 2 0 281.400 -0.006 20 0 CBADRP CC(C)[C@H](C(=O)N[C@@H]1CCCN(CC(N)=O)C1)[NH+](C)C ZINC001417913355 906102188 /nfs/dbraw/zinc/10/21/88/906102188.db2.gz ITZSAUGBHQMMCH-DGCLKSJQSA-N 2 0 284.404 -0.362 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCN(CC(=O)NC2CC2)C1 ZINC001417951201 906119531 /nfs/dbraw/zinc/11/95/31/906119531.db2.gz COKYWLJXGLYUIR-ZDUSSCGKSA-N 2 0 296.415 -0.204 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001418007899 906135006 /nfs/dbraw/zinc/13/50/06/906135006.db2.gz BXGZWFFUCJGOAQ-PWSUYJOCSA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@@H](O)C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001418010439 906135128 /nfs/dbraw/zinc/13/51/28/906135128.db2.gz PXACZNWWZYOOFK-DGCLKSJQSA-N 2 0 281.400 -0.053 20 0 CBADRP CN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001418043137 906145112 /nfs/dbraw/zinc/14/51/12/906145112.db2.gz DPHIJNTWJURYSX-NWDGAFQWSA-N 2 0 282.388 -0.641 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1)[NH+](C)C ZINC001418064256 906153686 /nfs/dbraw/zinc/15/36/86/906153686.db2.gz MZTYDNYSECYPKG-GVXVVHGQSA-N 2 0 294.403 -0.108 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1)C(N)=O ZINC001418065234 906154303 /nfs/dbraw/zinc/15/43/03/906154303.db2.gz UCXUJWTZTUTZPV-BJDJZHNGSA-N 2 0 284.404 -0.173 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001418063407 906155774 /nfs/dbraw/zinc/15/57/74/906155774.db2.gz DJBYLOUVGYLHSF-SRVKXCTJSA-N 2 0 296.415 -0.301 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001418058135 906156155 /nfs/dbraw/zinc/15/61/55/906156155.db2.gz MOHROVVGSWSLNX-SYLRKERUSA-N 2 0 296.415 -0.302 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001418074569 906157737 /nfs/dbraw/zinc/15/77/37/906157737.db2.gz COKRSGOSKGPGSR-CRWXNKLISA-N 2 0 299.415 -0.428 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001418103345 906168259 /nfs/dbraw/zinc/16/82/59/906168259.db2.gz OQCXGLSPDVBIBT-GARJFASQSA-N 2 0 282.388 -0.561 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)[NH+](C)C ZINC001418112066 906172272 /nfs/dbraw/zinc/17/22/72/906172272.db2.gz ZECGBALSDYCXOC-XQQFMLRXSA-N 2 0 294.403 -0.145 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001418108592 906172997 /nfs/dbraw/zinc/17/29/97/906172997.db2.gz JPWCNJFBVMQUNU-TXEJJXNPSA-N 2 0 284.404 -0.299 20 0 CBADRP CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001418121423 906175942 /nfs/dbraw/zinc/17/59/42/906175942.db2.gz DOPRVFODBDYJKP-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CCn1nncc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001418209959 906210444 /nfs/dbraw/zinc/21/04/44/906210444.db2.gz FTBYIQRTZDMSMX-AAEUAGOBSA-N 2 0 294.403 -0.014 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC(=O)N(C)C ZINC001418226563 906225377 /nfs/dbraw/zinc/22/53/77/906225377.db2.gz LLTSGXACXNSSHN-DGCLKSJQSA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001418232307 906227622 /nfs/dbraw/zinc/22/76/22/906227622.db2.gz CVUJDOVDCVLOSZ-VHSXEESVSA-N 2 0 270.377 -0.561 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)CC)[NH+](C)C ZINC001418240225 906231936 /nfs/dbraw/zinc/23/19/36/906231936.db2.gz YFCGFBVMKFCJHI-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001418237562 906232101 /nfs/dbraw/zinc/23/21/01/906232101.db2.gz JCDAALZEIUWYKE-AAEUAGOBSA-N 2 0 286.420 -0.245 20 0 CBADRP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001418244495 906240231 /nfs/dbraw/zinc/24/02/31/906240231.db2.gz YQAMERCNXZWLNO-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@H]1CCNC1=O ZINC001418264845 906248252 /nfs/dbraw/zinc/24/82/52/906248252.db2.gz DGOZHFBVYZALOV-PWSUYJOCSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H]1CCCN(C)C1=O ZINC001418264640 906248571 /nfs/dbraw/zinc/24/85/71/906248571.db2.gz CVFAPYPFZAKBMH-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001418269910 906249803 /nfs/dbraw/zinc/24/98/03/906249803.db2.gz SWEIDAPROGBMNB-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@H](C)C(=O)N(C)C ZINC001418267862 906250594 /nfs/dbraw/zinc/25/05/94/906250594.db2.gz SXKJEXFBGRMDBJ-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001418298253 906270094 /nfs/dbraw/zinc/27/00/94/906270094.db2.gz GAIMJNVIXFKMSQ-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001418314123 906278525 /nfs/dbraw/zinc/27/85/25/906278525.db2.gz RGYDKIOAFOJCOK-GHMZBOCLSA-N 2 0 272.393 -0.445 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001418314797 906280298 /nfs/dbraw/zinc/28/02/98/906280298.db2.gz VDMPQICHMWMQHA-LBPRGKRZSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CC(N)=O ZINC001418315307 906280692 /nfs/dbraw/zinc/28/06/92/906280692.db2.gz WXPIYOJWDKFGSN-LLVKDONJSA-N 2 0 270.377 -0.558 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001418331042 906284446 /nfs/dbraw/zinc/28/44/46/906284446.db2.gz GJNBCVWAMXNSHH-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001418347030 906292824 /nfs/dbraw/zinc/29/28/24/906292824.db2.gz CDIUIRHJVUYMLF-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001418348895 906293398 /nfs/dbraw/zinc/29/33/98/906293398.db2.gz GSJULWMCOXJECM-OLZOCXBDSA-N 2 0 287.404 -0.617 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001418356909 906294220 /nfs/dbraw/zinc/29/42/20/906294220.db2.gz NHRMPNUBNKOMPG-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001418352041 906295710 /nfs/dbraw/zinc/29/57/10/906295710.db2.gz GVTISDKOVSEWID-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001418398203 906306603 /nfs/dbraw/zinc/30/66/03/906306603.db2.gz UUEUGJZLPJVGIY-YPMHNXCESA-N 2 0 296.415 -0.156 20 0 CBADRP CCCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001418433583 906319928 /nfs/dbraw/zinc/31/99/28/906319928.db2.gz SGMYJJBAWCXWIF-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](CCNC(=O)Cc1ncc[nH]1)[NH2+]CCn1cncn1 ZINC001418430241 906321596 /nfs/dbraw/zinc/32/15/96/906321596.db2.gz NRASMVAHTRPPIS-NSHDSACASA-N 2 0 291.359 -0.272 20 0 CBADRP Cn1nccc1CC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001418519322 906384845 /nfs/dbraw/zinc/38/48/45/906384845.db2.gz JPTKIAJROYUMBT-ZDUSSCGKSA-N 2 0 293.415 -0.038 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001418640922 906434139 /nfs/dbraw/zinc/43/41/39/906434139.db2.gz SHYAAMOEGBWUIP-UPJWGTAASA-N 2 0 298.431 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001418694429 906451336 /nfs/dbraw/zinc/45/13/36/906451336.db2.gz VNSKYSWLXBAEGO-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+](CCO)C1CC1 ZINC001418815254 906485572 /nfs/dbraw/zinc/48/55/72/906485572.db2.gz VQSZKVVADVRWHK-CYBMUJFWSA-N 2 0 299.415 -0.472 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001418832154 906489429 /nfs/dbraw/zinc/48/94/29/906489429.db2.gz RCZJYOTZSNSEIT-VXGBXAGGSA-N 2 0 286.420 -0.149 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001418821634 906490753 /nfs/dbraw/zinc/49/07/53/906490753.db2.gz RRVFYNKIJIUALT-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001418888743 906501375 /nfs/dbraw/zinc/50/13/75/906501375.db2.gz PAFQVZAMCQTSFA-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001418942655 906523967 /nfs/dbraw/zinc/52/39/67/906523967.db2.gz VUGJSVXMRLKYIP-GFCCVEGCSA-N 2 0 296.415 -0.406 20 0 CBADRP CC[C@H](C(=O)NCC1C[NH+](CCn2cncn2)C1)[NH+](C)C ZINC001419018474 906564561 /nfs/dbraw/zinc/56/45/61/906564561.db2.gz BVLKJTYSWGSKTI-CYBMUJFWSA-N 2 0 294.403 -0.334 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC2CN(CC(=O)N(C)C)C2)C1 ZINC001419030462 906570988 /nfs/dbraw/zinc/57/09/88/906570988.db2.gz BRWFHHPOZDCKLY-LBPRGKRZSA-N 2 0 296.415 -0.536 20 0 CBADRP O=C(C[NH+]1CCCC1)NCCN1CC[NH+](CCCO)CC1 ZINC001419128870 906608144 /nfs/dbraw/zinc/60/81/44/906608144.db2.gz DJADNSVTGJYHOB-UHFFFAOYSA-N 2 0 298.431 -0.802 20 0 CBADRP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@@H](C)C(N)=O ZINC001419224718 906640173 /nfs/dbraw/zinc/64/01/73/906640173.db2.gz RVRHVCJZEIZETB-JQWIXIFHSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001419389117 906676720 /nfs/dbraw/zinc/67/67/20/906676720.db2.gz DPGCZFKHBVEVDH-HAQNSBGRSA-N 2 0 284.404 -0.171 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001419418684 906681765 /nfs/dbraw/zinc/68/17/65/906681765.db2.gz NPLGTJKLZIFWHZ-HAQNSBGRSA-N 2 0 282.388 -0.547 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001419412174 906683531 /nfs/dbraw/zinc/68/35/31/906683531.db2.gz JQIFXXMFYXUROK-CYDGBPFRSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]CC(N)=O ZINC001419466735 906698318 /nfs/dbraw/zinc/69/83/18/906698318.db2.gz GMIFXIWMOGPQLY-JTQLQIEISA-N 2 0 270.377 -0.702 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001419522924 906711993 /nfs/dbraw/zinc/71/19/93/906711993.db2.gz TZVPOBCFIJWFKE-NSHDSACASA-N 2 0 284.404 -0.584 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001419546675 906716435 /nfs/dbraw/zinc/71/64/35/906716435.db2.gz QZAUTPLXEYXCOG-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001419567110 906729064 /nfs/dbraw/zinc/72/90/64/906729064.db2.gz XXAIZDPCBDRAEK-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001419703628 906773080 /nfs/dbraw/zinc/77/30/80/906773080.db2.gz NQNRHEUCEVZLBC-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)CCC[NH+](C)C ZINC001419705707 906775196 /nfs/dbraw/zinc/77/51/96/906775196.db2.gz RPVKPVWXIJTCHW-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnnn1C ZINC001419717121 906784765 /nfs/dbraw/zinc/78/47/65/906784765.db2.gz VZJSNKNKLZSDRT-CMPLNLGQSA-N 2 0 280.376 -0.496 20 0 CBADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC(N)=O ZINC001419743347 906798566 /nfs/dbraw/zinc/79/85/66/906798566.db2.gz HHCLXOHRMKUITL-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001419766014 906808964 /nfs/dbraw/zinc/80/89/64/906808964.db2.gz MQWDPUZCDUKARN-GHMZBOCLSA-N 2 0 272.393 -0.363 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001419775634 906810480 /nfs/dbraw/zinc/81/04/80/906810480.db2.gz QEBVVQPUPAYIFK-ZYHUDNBSSA-N 2 0 282.392 -0.250 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001419800688 906819246 /nfs/dbraw/zinc/81/92/46/906819246.db2.gz RZRGOFZQHNVHCA-QWHCGFSZSA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@H]1CCNC1=O ZINC001419826494 906826832 /nfs/dbraw/zinc/82/68/32/906826832.db2.gz BJZWWCQESDQHSI-NEPJUHHUSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H]1CCN(C)C1=O ZINC001419831511 906827047 /nfs/dbraw/zinc/82/70/47/906827047.db2.gz GNPCTTZPWJZKGY-WDEREUQCSA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@H]1CCNC1=O ZINC001419826507 906828084 /nfs/dbraw/zinc/82/80/84/906828084.db2.gz BJZWWCQESDQHSI-RYUDHWBXSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001419904794 906853633 /nfs/dbraw/zinc/85/36/33/906853633.db2.gz QIXKUZLEPKARTD-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001419987799 906886545 /nfs/dbraw/zinc/88/65/45/906886545.db2.gz GSJULWMCOXJECM-QWHCGFSZSA-N 2 0 287.404 -0.617 20 0 CBADRP C[C@H]([NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001419991782 906888788 /nfs/dbraw/zinc/88/87/88/906888788.db2.gz LFVCSGJAGFNVJD-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001420011014 906893299 /nfs/dbraw/zinc/89/32/99/906893299.db2.gz YEMRFGMBBXATJC-LBPRGKRZSA-N 2 0 294.399 -0.462 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001420012667 906894964 /nfs/dbraw/zinc/89/49/64/906894964.db2.gz KXNFTSAIGZHRIJ-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N1CCC1 ZINC001420125735 906956435 /nfs/dbraw/zinc/95/64/35/906956435.db2.gz QCPXTNUURYHGDP-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[NH+]1CCC(OCC(=O)N2CC([NH2+][C@@H]3CCOC3)C2)CC1 ZINC001420140134 906965482 /nfs/dbraw/zinc/96/54/82/906965482.db2.gz BRRAMBNLKVSFMH-GFCCVEGCSA-N 2 0 297.399 -0.314 20 0 CBADRP Cn1cncc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001420165379 906977790 /nfs/dbraw/zinc/97/77/90/906977790.db2.gz BFXJNEVSSUZXSQ-CHWSQXEVSA-N 2 0 295.387 -0.919 20 0 CBADRP C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)CC[NH+]1CCCCC1 ZINC001420211569 907019260 /nfs/dbraw/zinc/01/92/60/907019260.db2.gz KPTORFZEWUDIMM-QWHCGFSZSA-N 2 0 287.404 -0.690 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001420226702 907026692 /nfs/dbraw/zinc/02/66/92/907026692.db2.gz GMSIOWFNODJPTM-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+][C@H]1CCNC1=O ZINC001420246398 907041868 /nfs/dbraw/zinc/04/18/68/907041868.db2.gz OUSIXFAJKHNCQX-RYUDHWBXSA-N 2 0 284.404 -0.301 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+][C@@H]1CCNC1=O ZINC001420246395 907045579 /nfs/dbraw/zinc/04/55/79/907045579.db2.gz OUSIXFAJKHNCQX-NWDGAFQWSA-N 2 0 284.404 -0.301 20 0 CBADRP COC[C@H](O)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001420297759 907078367 /nfs/dbraw/zinc/07/83/67/907078367.db2.gz VXCBJAPJSOXYPC-QWHCGFSZSA-N 2 0 287.404 -0.617 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001420298909 907087832 /nfs/dbraw/zinc/08/78/32/907087832.db2.gz JWEMEGUTHMKYIG-NXEZZACHSA-N 2 0 270.377 -0.561 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001420321671 907098484 /nfs/dbraw/zinc/09/84/84/907098484.db2.gz NUYMAIBJMHGQPD-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP COC[C@H](O)C[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001420334431 907108069 /nfs/dbraw/zinc/10/80/69/907108069.db2.gz PZNDJDLPPTYHFF-GFCCVEGCSA-N 2 0 285.388 -0.863 20 0 CBADRP CC[C@H]([NH2+]C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C)C(N)=O ZINC001420347036 907113948 /nfs/dbraw/zinc/11/39/48/907113948.db2.gz XWAAEVPJCAMZKB-VWYCJHECSA-N 2 0 272.393 -0.315 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001420365267 907122783 /nfs/dbraw/zinc/12/27/83/907122783.db2.gz JDBIOKJVGFOLOC-FRRDWIJNSA-N 2 0 287.404 -0.570 20 0 CBADRP CC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)[C@H]1CCNC1=O ZINC001420401338 907140143 /nfs/dbraw/zinc/14/01/43/907140143.db2.gz VNFHMMPPOVGKHF-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001420404009 907146758 /nfs/dbraw/zinc/14/67/58/907146758.db2.gz LUWAFASPOVEAKF-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]1CCNC1=O ZINC001420438972 907157888 /nfs/dbraw/zinc/15/78/88/907157888.db2.gz XNAQBYJBMZWDCO-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)[C@H]1CCCNC1=O ZINC001420445576 907166528 /nfs/dbraw/zinc/16/65/28/907166528.db2.gz XIEVTRQHROFYLQ-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP Cc1cncn1CC(=O)NC[C@H]1CCCN1[C@@H](C)C(N)=O ZINC001420467701 907174349 /nfs/dbraw/zinc/17/43/49/907174349.db2.gz KDBZOMQCEZZVQH-NWDGAFQWSA-N 2 0 293.371 -0.354 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)CCn1ccnc1 ZINC001420461810 907174836 /nfs/dbraw/zinc/17/48/36/907174836.db2.gz QLZOKHXKOJNIHV-NSHDSACASA-N 2 0 291.359 -0.304 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001420561662 907210331 /nfs/dbraw/zinc/21/03/31/907210331.db2.gz OFNBEHYZGVZJAE-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001420562934 907216432 /nfs/dbraw/zinc/21/64/32/907216432.db2.gz IRBIRLXZIALESI-CHWSQXEVSA-N 2 0 296.415 -0.488 20 0 CBADRP CNC(=O)CN(C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001420661360 907259248 /nfs/dbraw/zinc/25/92/48/907259248.db2.gz OBPYFDFUEZARRR-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001420735534 907288554 /nfs/dbraw/zinc/28/85/54/907288554.db2.gz AYSWIRNXJDYDGW-QWRGUYRKSA-N 2 0 272.393 -0.506 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)C(=O)NC ZINC001420739231 907289342 /nfs/dbraw/zinc/28/93/42/907289342.db2.gz JMTISVLRUAZQKH-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001420745937 907293476 /nfs/dbraw/zinc/29/34/76/907293476.db2.gz HKNHTWSZDYZWMY-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001420936689 907363853 /nfs/dbraw/zinc/36/38/53/907363853.db2.gz IAWDOBSUJZJPFX-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001420952288 907372970 /nfs/dbraw/zinc/37/29/70/907372970.db2.gz WXQJNBZLANWNDG-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@H](C(=O)NCC1([NH2+]CC(N)=O)CC1)[NH+]1CCCCCC1 ZINC001420982389 907381596 /nfs/dbraw/zinc/38/15/96/907381596.db2.gz YNZJHWSJAVWWPW-GFCCVEGCSA-N 2 0 296.415 -0.025 20 0 CBADRP Cn1ncnc1CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001421000755 907386366 /nfs/dbraw/zinc/38/63/66/907386366.db2.gz FNLQZBNTEICFDN-LLVKDONJSA-N 2 0 292.387 -0.495 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CC(=O)NC)C1 ZINC001421249940 907476274 /nfs/dbraw/zinc/47/62/74/907476274.db2.gz ILVZSPOTBQMRBK-OAHLLOKOSA-N 2 0 298.431 -0.098 20 0 CBADRP CC(C)[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001421253228 907476297 /nfs/dbraw/zinc/47/62/97/907476297.db2.gz JXDNWARCZOXLMS-DZGCQCFKSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@@]1(CNC(=O)C[NH+]2CCCC2)CCCN(CC(N)=O)C1 ZINC001421293320 907485117 /nfs/dbraw/zinc/48/51/17/907485117.db2.gz HKAYKNTUBPWFND-HNNXBMFYSA-N 2 0 296.415 -0.214 20 0 CBADRP CC(C)[NH+](C)CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001421383771 907513799 /nfs/dbraw/zinc/51/37/99/907513799.db2.gz CSIYGLRZSDPOKZ-JSGCOSHPSA-N 2 0 287.404 -0.740 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CCO)C1)[NH+](C)C ZINC001502061219 921330920 /nfs/dbraw/zinc/33/09/20/921330920.db2.gz VIUNVSCMJXTCOV-STQMWFEESA-N 2 0 287.404 -0.618 20 0 CBADRP C[NH+](C)CCC(=O)NC1(C[NH2+][C@H]2CCNC2=O)CCCC1 ZINC001421513160 907572555 /nfs/dbraw/zinc/57/25/55/907572555.db2.gz QOCRHQHENQYMDO-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP CNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001421526329 907575403 /nfs/dbraw/zinc/57/54/03/907575403.db2.gz HBVDDCBNKLDPAP-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@@](C)(C[NH2+]CC(N)=O)C2CC2)CC1 ZINC001421561127 907578879 /nfs/dbraw/zinc/57/88/79/907578879.db2.gz OHVSQGCLNCASSE-HNNXBMFYSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1cn(C)nn1 ZINC001421682452 907611793 /nfs/dbraw/zinc/61/17/93/907611793.db2.gz ZVKRVZVRDYDGEG-AAEUAGOBSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+](C)C)C[NH2+][C@@H]1CCNC1=O ZINC001421749090 907632799 /nfs/dbraw/zinc/63/27/99/907632799.db2.gz VBTTWVGMBMWOIV-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP CC(C)[NH2+]C1(CO)CCN(C[C@@H](O)C(C)(C)O)CC1 ZINC001421814446 907652198 /nfs/dbraw/zinc/65/21/98/907652198.db2.gz LALDHHKFDRXUSV-GFCCVEGCSA-N 2 0 274.405 -0.057 20 0 CBADRP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC)[NH+](C)C ZINC001421940643 907687209 /nfs/dbraw/zinc/68/72/09/907687209.db2.gz IRTAIMLNGSZIIM-QWRGUYRKSA-N 2 0 272.393 -0.491 20 0 CBADRP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001422012544 907701589 /nfs/dbraw/zinc/70/15/89/907701589.db2.gz GYINKBMXPVUEFR-STQMWFEESA-N 2 0 298.431 -0.066 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001422013142 907702342 /nfs/dbraw/zinc/70/23/42/907702342.db2.gz FCCUDBWCQZPXNX-RDBSUJKOSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(=O)N(C)C ZINC001422128016 907721063 /nfs/dbraw/zinc/72/10/63/907721063.db2.gz OFBMZQSHEGWKAS-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001422131044 907724098 /nfs/dbraw/zinc/72/40/98/907724098.db2.gz ITGJGNWHHGVFCC-LBPRGKRZSA-N 2 0 284.404 -0.441 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+]CC(=O)N(C)C)C1 ZINC001422283631 907777447 /nfs/dbraw/zinc/77/74/47/907777447.db2.gz AVMIUABDMXDEKW-UHFFFAOYSA-N 2 0 298.431 -0.101 20 0 CBADRP C[N@H+](CC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCOC1)C1CCC1 ZINC001422321121 907797676 /nfs/dbraw/zinc/79/76/76/907797676.db2.gz WPXRQGYGTOBIMD-GXTWGEPZSA-N 2 0 299.415 -0.426 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)NC ZINC001422419933 907849092 /nfs/dbraw/zinc/84/90/92/907849092.db2.gz OSBOAIBZHJACPO-GHMZBOCLSA-N 2 0 272.393 -0.443 20 0 CBADRP OC[C@@H](O)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001422445305 907858670 /nfs/dbraw/zinc/85/86/70/907858670.db2.gz WFOUMCQQFOGDAY-ZDUSSCGKSA-N 2 0 272.389 -0.348 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CC[NH2+][C@@H]1CCNC1=O ZINC001422436810 907858720 /nfs/dbraw/zinc/85/87/20/907858720.db2.gz KEUSATFENWAUOO-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001422449174 907860697 /nfs/dbraw/zinc/86/06/97/907860697.db2.gz JQLCFNCCTGVAJN-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CCN(CC[NH2+][C@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001422456699 907868311 /nfs/dbraw/zinc/86/83/11/907868311.db2.gz DNYSMYNRZIEEBJ-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001422548303 907921730 /nfs/dbraw/zinc/92/17/30/907921730.db2.gz AZBJCMPOXWTQQY-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)[C@H]1CCN(C)C1=O ZINC001422596671 907935930 /nfs/dbraw/zinc/93/59/30/907935930.db2.gz JKVPZEXLBRVKTD-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001422596664 907936781 /nfs/dbraw/zinc/93/67/81/907936781.db2.gz JKVPZEXLBRVKTD-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001422592009 907937297 /nfs/dbraw/zinc/93/72/97/907937297.db2.gz UXWKWIXAJOVKPR-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)Nc1ccon1)NC(=O)CC[NH+](C)C ZINC001422696040 907975687 /nfs/dbraw/zinc/97/56/87/907975687.db2.gz NYVOHZCHTVYRNX-JTQLQIEISA-N 2 0 297.359 -0.341 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCCNC1=O)[NH+](C)C ZINC001422699049 907975729 /nfs/dbraw/zinc/97/57/29/907975729.db2.gz UXEJTPPDGXPVLF-SRVKXCTJSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C(N)=O ZINC001422693969 907976899 /nfs/dbraw/zinc/97/68/99/907976899.db2.gz AJLOLQGEWASAKS-WDEREUQCSA-N 2 0 286.420 -0.068 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001422733298 907987381 /nfs/dbraw/zinc/98/73/81/907987381.db2.gz ZFMYPSDGNLPMOD-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP COCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001502600558 921371869 /nfs/dbraw/zinc/37/18/69/921371869.db2.gz XJHZXCWGOGHEFB-HIFRSBDPSA-N 2 0 299.415 -0.472 20 0 CBADRP CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001422817571 908024797 /nfs/dbraw/zinc/02/47/97/908024797.db2.gz BZTNSASMZXAFED-XYYAHUGASA-N 2 0 296.415 -0.632 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001422905549 908052834 /nfs/dbraw/zinc/05/28/34/908052834.db2.gz HNZJVTQMIWHCKZ-DCAQKATOSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@H](C[N@H+](C)[C@H]1CCCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001422929375 908055941 /nfs/dbraw/zinc/05/59/41/908055941.db2.gz GGZLMTDQLAHICH-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O ZINC001423046431 908090287 /nfs/dbraw/zinc/09/02/87/908090287.db2.gz ADWKYPHCWKPPRO-RYUDHWBXSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H](CN(C)C(=O)COC1CC[NH+](C)CC1)[NH2+]CCO ZINC001423144508 908118146 /nfs/dbraw/zinc/11/81/46/908118146.db2.gz WALKFKNIFNNOMN-GFCCVEGCSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCCNC1=O ZINC001423168485 908124518 /nfs/dbraw/zinc/12/45/18/908124518.db2.gz OUFWDCCIMCUKRJ-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)NC(=O)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001423274717 908185590 /nfs/dbraw/zinc/18/55/90/908185590.db2.gz OWXXADPYAICHOC-UHFFFAOYSA-N 2 0 284.404 -0.299 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001423279796 908188652 /nfs/dbraw/zinc/18/86/52/908188652.db2.gz LPGNASPZWPUXIC-LLVKDONJSA-N 2 0 282.388 -0.687 20 0 CBADRP CC[C@H]([NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1)C(N)=O ZINC001423275646 908189309 /nfs/dbraw/zinc/18/93/09/908189309.db2.gz QOUVJSDBEKVRFQ-LBPRGKRZSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+]1CCC(CC(=O)NCC2([NH2+]CC(N)=O)CC2)CC1 ZINC001423280949 908189821 /nfs/dbraw/zinc/18/98/21/908189821.db2.gz DHVHDHMUMIRREL-UHFFFAOYSA-N 2 0 282.388 -0.558 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001423353582 908210038 /nfs/dbraw/zinc/21/00/38/908210038.db2.gz YXFOGLHPYSFYPY-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[NH+]1CCC(C[NH2+]C(C)(C)CNS(N)(=O)=O)CC1 ZINC001423426245 908231833 /nfs/dbraw/zinc/23/18/33/908231833.db2.gz PIMAQRPGHKFWQI-UHFFFAOYSA-N 2 0 292.449 -0.120 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001423464679 908249223 /nfs/dbraw/zinc/24/92/23/908249223.db2.gz MNLXEKWFHPFFJH-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CCCC1 ZINC001423515694 908265686 /nfs/dbraw/zinc/26/56/86/908265686.db2.gz OJECZWHCTXGJDN-STQMWFEESA-N 2 0 296.415 -0.170 20 0 CBADRP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)C1(C[NH+](C)C)CC1 ZINC001423535380 908274556 /nfs/dbraw/zinc/27/45/56/908274556.db2.gz ABWUNZCLQRNKNY-GFCCVEGCSA-N 2 0 287.404 -0.928 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001423589511 908292949 /nfs/dbraw/zinc/29/29/49/908292949.db2.gz UFGAYCWFJUFHFY-FZMZJTMJSA-N 2 0 284.404 -0.217 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001423948229 908375454 /nfs/dbraw/zinc/37/54/54/908375454.db2.gz MMDAWWSWNDDKKP-QWHCGFSZSA-N 2 0 298.431 -0.112 20 0 CBADRP C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1)C(N)=O ZINC001424091955 908406661 /nfs/dbraw/zinc/40/66/61/908406661.db2.gz VNCHDAWDNHKGLJ-MNOVXSKESA-N 2 0 293.371 -0.346 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001424115000 908413969 /nfs/dbraw/zinc/41/39/69/908413969.db2.gz RZUUBNUIKPLDBC-UHFFFAOYSA-N 2 0 296.415 -0.262 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001503429620 921409391 /nfs/dbraw/zinc/40/93/91/921409391.db2.gz ZTMASSFEJNKBBE-TUAOUCFPSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001424297407 908440842 /nfs/dbraw/zinc/44/08/42/908440842.db2.gz QILPWFIVFHLZBE-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001424403040 908454476 /nfs/dbraw/zinc/45/44/76/908454476.db2.gz GABHZBJUUQWVTN-HIFRSBDPSA-N 2 0 299.415 -0.594 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001424546329 908469175 /nfs/dbraw/zinc/46/91/75/908469175.db2.gz JVZYKIBPKRSPPH-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001424758266 908499364 /nfs/dbraw/zinc/49/93/64/908499364.db2.gz ZLNQVVHXYLPRFJ-WXRRBKDZSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CC(N)=O ZINC001424802396 908507953 /nfs/dbraw/zinc/50/79/53/908507953.db2.gz GYMBSDFVTRWXED-WDEREUQCSA-N 2 0 286.420 -0.068 20 0 CBADRP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CC(N)=O ZINC001424802392 908508722 /nfs/dbraw/zinc/50/87/22/908508722.db2.gz GYMBSDFVTRWXED-QWRGUYRKSA-N 2 0 286.420 -0.068 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CCN1CCCC1=O ZINC001425003870 908549610 /nfs/dbraw/zinc/54/96/10/908549610.db2.gz CAUKNWSRVJFFEP-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC2(CO)CC[NH+](CCCO)CC2)C1 ZINC001505393063 921419288 /nfs/dbraw/zinc/41/92/88/921419288.db2.gz NGOVRZDXDQAQFN-CYBMUJFWSA-N 2 0 299.415 -0.736 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CCO)C1 ZINC001425353908 908628911 /nfs/dbraw/zinc/62/89/11/908628911.db2.gz DQUXYZWKMYVOGY-OLZOCXBDSA-N 2 0 287.404 -0.476 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001425663024 908685953 /nfs/dbraw/zinc/68/59/53/908685953.db2.gz PQONOSBZOGEFIP-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001425681644 908689208 /nfs/dbraw/zinc/68/92/08/908689208.db2.gz NEPSVPJIPCKYAQ-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001425681585 908689948 /nfs/dbraw/zinc/68/99/48/908689948.db2.gz NEPSVPJIPCKYAQ-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001425686149 908690952 /nfs/dbraw/zinc/69/09/52/908690952.db2.gz UZITZNKNLJVUOI-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP O=C(NC[C@H](CO)[NH2+]CC1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001425748382 908726575 /nfs/dbraw/zinc/72/65/75/908726575.db2.gz AVQRYOKWPPRJQY-KGLIPLIRSA-N 2 0 281.400 -0.195 20 0 CBADRP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+]CC(=O)NC)C1 ZINC001505528786 921434985 /nfs/dbraw/zinc/43/49/85/921434985.db2.gz QSSYBZOROAHIBM-UHFFFAOYSA-N 2 0 284.404 -0.441 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]CC[C@@H]1CCCO1 ZINC001425834007 908760247 /nfs/dbraw/zinc/76/02/47/908760247.db2.gz GDRIQNVNEMDAPL-KGLIPLIRSA-N 2 0 299.415 -0.282 20 0 CBADRP CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001425845295 908761949 /nfs/dbraw/zinc/76/19/49/908761949.db2.gz ALPKOHOUSFXYSB-NWDGAFQWSA-N 2 0 273.377 -0.959 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001425883436 908775716 /nfs/dbraw/zinc/77/57/16/908775716.db2.gz DQEFVMUHIMRXFH-QWHCGFSZSA-N 2 0 298.431 -0.006 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001425940474 908784250 /nfs/dbraw/zinc/78/42/50/908784250.db2.gz AWCCHQXXWZNOKB-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001425954030 908785577 /nfs/dbraw/zinc/78/55/77/908785577.db2.gz MRVABNFMCZFNQU-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP CN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001426234726 908848781 /nfs/dbraw/zinc/84/87/81/908848781.db2.gz NQZRTSCAPKXUHW-WXRRBKDZSA-N 2 0 296.415 -0.252 20 0 CBADRP CN(C(=O)CCC[NH+]1CCCC1)C1CC([NH2+]CC(N)=O)C1 ZINC001426238903 908852702 /nfs/dbraw/zinc/85/27/02/908852702.db2.gz MPFBRVQVTVWMKS-UHFFFAOYSA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001505760782 921476429 /nfs/dbraw/zinc/47/64/29/921476429.db2.gz OYYXZGQIYKXXAR-NEPJUHHUSA-N 2 0 286.420 -0.102 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001505760783 921478846 /nfs/dbraw/zinc/47/88/46/921478846.db2.gz OYYXZGQIYKXXAR-NWDGAFQWSA-N 2 0 286.420 -0.102 20 0 CBADRP CC[C@H](C(=O)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001429382194 909236937 /nfs/dbraw/zinc/23/69/37/909236937.db2.gz GHMZWRRSHDORQN-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001505845122 921484006 /nfs/dbraw/zinc/48/40/06/921484006.db2.gz ABMUMAFPRYINOU-LBPRGKRZSA-N 2 0 298.431 -0.112 20 0 CBADRP CN(CCNC(=O)CC[NH+](C)C)C(=O)C1CC[NH+](C)CC1 ZINC001429471137 909245209 /nfs/dbraw/zinc/24/52/09/909245209.db2.gz MFZGKNLDSPBADF-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP CC[C@@H](C(=O)NCCN(C)C(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001429502021 909249529 /nfs/dbraw/zinc/24/95/29/909249529.db2.gz PAHRTWJLWXCDRS-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001430206813 909313344 /nfs/dbraw/zinc/31/33/44/909313344.db2.gz DYCTXHDTWUUKTH-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001505865282 921489204 /nfs/dbraw/zinc/48/92/04/921489204.db2.gz PFFJFPVCMJYKKS-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CN(CCNC(=O)C12CC[NH+](CC1)C2)C(=O)CC[NH+](C)C ZINC001431390081 909453156 /nfs/dbraw/zinc/45/31/56/909453156.db2.gz ZTRHCAGWCJZQFV-UHFFFAOYSA-N 2 0 296.415 -0.392 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001433382960 909723046 /nfs/dbraw/zinc/72/30/46/909723046.db2.gz DTWIDCRVOCELCK-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@@H]1CCCN(C)C1=O ZINC001505992214 921521294 /nfs/dbraw/zinc/52/12/94/921521294.db2.gz AXTGTWRDUNJMDO-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[NH+](CC)CC(=O)NC[C@H]1CCN1C(=O)CC[NH+](C)C ZINC001433729065 909831787 /nfs/dbraw/zinc/83/17/87/909831787.db2.gz OHGXZRIZUKDHPH-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001434385363 910140600 /nfs/dbraw/zinc/14/06/00/910140600.db2.gz PBKKRDBCFAQXQE-TZMCWYRMSA-N 2 0 295.383 -0.704 20 0 CBADRP C[N@@H+]1CCC[C@](O)(CC(=O)N2CC([NH2+][C@@H]3CCOC3)C2)C1 ZINC001434383600 910141628 /nfs/dbraw/zinc/14/16/28/910141628.db2.gz HIXVTMSLGSNQGQ-DOMZBBRYSA-N 2 0 297.399 -0.578 20 0 CBADRP C[N@@H+]1CCC[C@](O)(CC(=O)N2CC([NH2+][C@H]3CCOC3)C2)C1 ZINC001434383603 910142660 /nfs/dbraw/zinc/14/26/60/910142660.db2.gz HIXVTMSLGSNQGQ-WFASDCNBSA-N 2 0 297.399 -0.578 20 0 CBADRP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)[C@@H](C)C[N@@H+]1CCO ZINC001434475259 910215996 /nfs/dbraw/zinc/21/59/96/910215996.db2.gz GXBKFPVFOCBIIQ-VNHYZAJKSA-N 2 0 285.432 -0.172 20 0 CBADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C[C@@H](O)C[NH+](C)C1CC1 ZINC001434475257 910217181 /nfs/dbraw/zinc/21/71/81/910217181.db2.gz GXBKFPVFOCBIIQ-NFAWXSAZSA-N 2 0 285.432 -0.172 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001436400940 910436115 /nfs/dbraw/zinc/43/61/15/910436115.db2.gz DBBLJZPRCPTCLX-IJLUTSLNSA-N 2 0 284.404 -0.315 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001436378218 910439014 /nfs/dbraw/zinc/43/90/14/910439014.db2.gz KVORFJCNBZOZLK-SRVKXCTJSA-N 2 0 296.415 -0.171 20 0 CBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2C1 ZINC001436457148 910446769 /nfs/dbraw/zinc/44/67/69/910446769.db2.gz FFZFWZRQHPGSSL-OLZOCXBDSA-N 2 0 296.415 -0.406 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC001436836258 910494260 /nfs/dbraw/zinc/49/42/60/910494260.db2.gz AGXMYOVRWQHNFW-LBPRGKRZSA-N 2 0 284.404 -0.406 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001436922696 910508708 /nfs/dbraw/zinc/50/87/08/910508708.db2.gz CQUWPGVKDIZOHG-SRVKXCTJSA-N 2 0 284.404 -0.301 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001436964674 910518148 /nfs/dbraw/zinc/51/81/48/910518148.db2.gz MYHNXEOLEFCWGA-BETUJISGSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001436979735 910523165 /nfs/dbraw/zinc/52/31/65/910523165.db2.gz UJKGBGUHSVIXBM-FRRDWIJNSA-N 2 0 296.415 -0.158 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001437016639 910525796 /nfs/dbraw/zinc/52/57/96/910525796.db2.gz VSQGHXNIPXOMJG-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]CCO ZINC001437240446 910597180 /nfs/dbraw/zinc/59/71/80/910597180.db2.gz VUJLBESOUUYYOG-NSHDSACASA-N 2 0 273.377 -0.816 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001437289450 910607279 /nfs/dbraw/zinc/60/72/79/910607279.db2.gz IGTHMYHXDPVPAM-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H]([NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001437309626 910609070 /nfs/dbraw/zinc/60/90/70/910609070.db2.gz CCZQGCGROLTVTK-NWDGAFQWSA-N 2 0 294.399 -0.606 20 0 CBADRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1nnnn1C ZINC001437422564 910631765 /nfs/dbraw/zinc/63/17/65/910631765.db2.gz OBPGQISSZWGUIE-LLVKDONJSA-N 2 0 295.391 -0.710 20 0 CBADRP C[NH+](C)CCC(=O)NCC[N@H+](C)C[C@H]1CCc2ncnn21 ZINC001437515812 910670326 /nfs/dbraw/zinc/67/03/26/910670326.db2.gz MOWCZLKXKJCQQR-GFCCVEGCSA-N 2 0 294.403 -0.235 20 0 CBADRP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1C[NH+](CCO)C1 ZINC001506628100 921597756 /nfs/dbraw/zinc/59/77/56/921597756.db2.gz UDYCJBZUNXBOBK-LLVKDONJSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001437829468 910755498 /nfs/dbraw/zinc/75/54/98/910755498.db2.gz JBFNHSKZTDVYRY-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001437841996 910765492 /nfs/dbraw/zinc/76/54/92/910765492.db2.gz ICEUQSLMUPWIOO-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCN(CC)C1=O)[NH+](C)C ZINC001437858299 910772642 /nfs/dbraw/zinc/77/26/42/910772642.db2.gz OBHZLWUQKXSLCL-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@H](C[N@H+](C)CC(N)=O)C1 ZINC001437983766 910785109 /nfs/dbraw/zinc/78/51/09/910785109.db2.gz ANTJUYSGVRBHKA-GFCCVEGCSA-N 2 0 284.404 -0.406 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001437991396 910793314 /nfs/dbraw/zinc/79/33/14/910793314.db2.gz MCDSFUTYAIZWPU-QWHCGFSZSA-N 2 0 298.431 -0.018 20 0 CBADRP COC[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001438109370 910820054 /nfs/dbraw/zinc/82/00/54/910820054.db2.gz DOLXYDROGISXKB-STQMWFEESA-N 2 0 285.388 -0.864 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001438214639 910840892 /nfs/dbraw/zinc/84/08/92/910840892.db2.gz AAJHKJZVKCYBKU-JHJVBQTASA-N 2 0 285.388 -0.864 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001438381256 910886892 /nfs/dbraw/zinc/88/68/92/910886892.db2.gz WPHQUYFRSNXGCL-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@H]1CCNC1=O ZINC001438524471 910913155 /nfs/dbraw/zinc/91/31/55/910913155.db2.gz WCKHZCKONMLDEE-QWRGUYRKSA-N 2 0 270.377 -0.832 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]CC(N)=O)CCCC2)C1 ZINC001438608070 910926569 /nfs/dbraw/zinc/92/65/69/910926569.db2.gz RKANYRRDDUXXQK-LBPRGKRZSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001438650605 910946930 /nfs/dbraw/zinc/94/69/30/910946930.db2.gz ZYRSWDFFQXKLNF-ZYHUDNBSSA-N 2 0 282.388 -0.750 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccnn1C)[NH+](C)C ZINC001438996857 911045494 /nfs/dbraw/zinc/04/54/94/911045494.db2.gz HELRFKNQBQZIHO-QWHCGFSZSA-N 2 0 297.403 -0.673 20 0 CBADRP Cc1oncc1C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C ZINC001439027804 911063761 /nfs/dbraw/zinc/06/37/61/911063761.db2.gz SSGCAGMLDGOOKQ-LBPRGKRZSA-N 2 0 284.360 -0.499 20 0 CBADRP CC(C)[NH2+]C[C@H](O)CNC(=O)COC1CC[NH+](C)CC1 ZINC001439031233 911068075 /nfs/dbraw/zinc/06/80/75/911068075.db2.gz HGCKFKSCLFLXIR-LBPRGKRZSA-N 2 0 287.404 -0.428 20 0 CBADRP O=C(NC[C@H](O)C[NH2+]C[C@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001439044330 911075556 /nfs/dbraw/zinc/07/55/56/911075556.db2.gz FFKYSCOPBSSWSX-CHWSQXEVSA-N 2 0 297.399 -0.815 20 0 CBADRP CO[C@H](C)C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001439051649 911079419 /nfs/dbraw/zinc/07/94/19/911079419.db2.gz YKTIJGNUOJBRMB-NEPJUHHUSA-N 2 0 285.388 -0.816 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439176818 911130066 /nfs/dbraw/zinc/13/00/66/911130066.db2.gz CVZANOHFJFVYDT-GHMZBOCLSA-N 2 0 270.377 -0.879 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001439251303 911154013 /nfs/dbraw/zinc/15/40/13/911154013.db2.gz DZHRAOPEOOCYBV-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001439270122 911161913 /nfs/dbraw/zinc/16/19/13/911161913.db2.gz YYCMXAYZKGJUEA-NSHDSACASA-N 2 0 292.387 -0.495 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001506901724 921639933 /nfs/dbraw/zinc/63/99/33/921639933.db2.gz GZFQRIUPRJPLLK-JHJVBQTASA-N 2 0 296.415 -0.441 20 0 CBADRP NC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001439455350 911213834 /nfs/dbraw/zinc/21/38/34/911213834.db2.gz BLKDHJIFGUXATG-QWHCGFSZSA-N 2 0 294.399 -0.702 20 0 CBADRP CN1CC[C@H]([NH2+]C[C@H](NC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001439471985 911218361 /nfs/dbraw/zinc/21/83/61/911218361.db2.gz NZFYEZXWIFALHJ-STQMWFEESA-N 2 0 296.415 -0.347 20 0 CBADRP NC(=O)C[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001439484075 911219217 /nfs/dbraw/zinc/21/92/17/911219217.db2.gz LGVAMWHHVWTSOM-NSHDSACASA-N 2 0 280.372 -0.948 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CC(=O)N(C)C)C1CC1 ZINC001439492465 911222033 /nfs/dbraw/zinc/22/20/33/911222033.db2.gz DFZQLKZDZKNZEM-ZDUSSCGKSA-N 2 0 298.431 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+]CC(=O)NC)C1 ZINC001439900904 911310595 /nfs/dbraw/zinc/31/05/95/911310595.db2.gz ISGKMULVKDAVNQ-OAHLLOKOSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@]2(O)CC[NH+](CCCO)C2)C1 ZINC001440008908 911339993 /nfs/dbraw/zinc/33/99/93/911339993.db2.gz CFCAURXFSXQVFW-HIFRSBDPSA-N 2 0 299.415 -0.736 20 0 CBADRP C[C@@H]([NH2+]CC(=O)N(C)C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001440113991 911382883 /nfs/dbraw/zinc/38/28/83/911382883.db2.gz GNZGMCJYCCSFLI-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001440148351 911389955 /nfs/dbraw/zinc/38/99/55/911389955.db2.gz KHSQFPKFMRNTSB-UPJWGTAASA-N 2 0 296.415 -0.408 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCC[NH+](CCO)C2)CC[N@@H+]1C ZINC001440168269 911396071 /nfs/dbraw/zinc/39/60/71/911396071.db2.gz ACXVOMWUYZZDGW-UMVBOHGHSA-N 2 0 299.415 -0.738 20 0 CBADRP C[C@H]([NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001440210379 911407795 /nfs/dbraw/zinc/40/77/95/911407795.db2.gz QRMWJERFFIHQGK-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)CC1 ZINC001440221268 911412669 /nfs/dbraw/zinc/41/26/69/911412669.db2.gz IUTCGHLFUMOHTO-AVGNSLFASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001440315636 911428400 /nfs/dbraw/zinc/42/84/00/911428400.db2.gz WQQIYFLGPXZQKI-UTUOFQBUSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC2([NH2+]CC(N)=O)CCC2)CC1 ZINC001440333515 911433354 /nfs/dbraw/zinc/43/33/54/911433354.db2.gz NETKHZSKQJSSQA-UHFFFAOYSA-N 2 0 282.388 -0.558 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001440352490 911433760 /nfs/dbraw/zinc/43/37/60/911433760.db2.gz ABEMIEYIMXNINZ-UHFFFAOYSA-N 2 0 294.399 -0.543 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001440359170 911436293 /nfs/dbraw/zinc/43/62/93/911436293.db2.gz SFBIFYOTBUJSOE-ZDEQEGDKSA-N 2 0 296.415 -0.301 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001440361509 911436424 /nfs/dbraw/zinc/43/64/24/911436424.db2.gz GSJJJGNSQWPKDR-JOCQHMNTSA-N 2 0 296.415 -0.168 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001440414106 911446048 /nfs/dbraw/zinc/44/60/48/911446048.db2.gz VESPEQVLSJCHAL-YNEHKIRRSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001440841174 911527693 /nfs/dbraw/zinc/52/76/93/911527693.db2.gz NDAPACCLENNHCW-MNOVXSKESA-N 2 0 282.388 -0.689 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001440841171 911528860 /nfs/dbraw/zinc/52/88/60/911528860.db2.gz NDAPACCLENNHCW-GHMZBOCLSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H](C(N)=O)[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001441134077 911612543 /nfs/dbraw/zinc/61/25/43/911612543.db2.gz HJHWSIYJRVOPMT-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)C1C[NH+](CCO)C1 ZINC001441201315 911621071 /nfs/dbraw/zinc/62/10/71/911621071.db2.gz OVTRSPDRFKPJJU-OLZOCXBDSA-N 2 0 299.415 -0.617 20 0 CBADRP C[N@H+](CC(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1)CC(C)(C)C ZINC001441218630 911624906 /nfs/dbraw/zinc/62/49/06/911624906.db2.gz AGWGQSRXWHHIRP-LBPRGKRZSA-N 2 0 298.431 -0.066 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001441383403 911655920 /nfs/dbraw/zinc/65/59/20/911655920.db2.gz ZLNQVVHXYLPRFJ-AVGNSLFASA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC001441380960 911656082 /nfs/dbraw/zinc/65/60/82/911656082.db2.gz AQHPDSQLPHIACG-NQBHXWOUSA-N 2 0 296.415 -0.029 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001441398530 911661084 /nfs/dbraw/zinc/66/10/84/911661084.db2.gz NBGZWIOLINDHFG-ZDEQEGDKSA-N 2 0 296.415 -0.158 20 0 CBADRP CN(C)C(=O)C[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001441391208 911662762 /nfs/dbraw/zinc/66/27/62/911662762.db2.gz ZHSNSAIPXUCPPI-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001441417841 911664558 /nfs/dbraw/zinc/66/45/58/911664558.db2.gz MAZGZARDKSEIBS-JOCQHMNTSA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001441453672 911672611 /nfs/dbraw/zinc/67/26/11/911672611.db2.gz DKLIOBWOADPCSV-YFKTTZPYSA-N 2 0 282.388 -0.548 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001441544510 911701311 /nfs/dbraw/zinc/70/13/11/911701311.db2.gz WIVNMNHEKHTTCG-WDEREUQCSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC(=O)N(C)C ZINC001441595468 911710342 /nfs/dbraw/zinc/71/03/42/911710342.db2.gz QLWPGWXSIGXSDT-LLVKDONJSA-N 2 0 272.393 -0.537 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O)[NH+](C)C ZINC001441625261 911717104 /nfs/dbraw/zinc/71/71/04/911717104.db2.gz XAWGRDSIBVBWFM-JQWIXIFHSA-N 2 0 272.393 -0.506 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001441610932 911718175 /nfs/dbraw/zinc/71/81/75/911718175.db2.gz QNNNODGMNLNYGU-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001441657984 911726565 /nfs/dbraw/zinc/72/65/65/911726565.db2.gz YOWBYRQADMFNJC-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCNC1=O ZINC001441661088 911728245 /nfs/dbraw/zinc/72/82/45/911728245.db2.gz SNJHLEQXQBXXEK-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001507161555 921691846 /nfs/dbraw/zinc/69/18/46/921691846.db2.gz LZPDXGCJJPMDQF-VXGBXAGGSA-N 2 0 286.420 -0.102 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@H](CO)[NH2+]CCO)[NH+]1CCCC1 ZINC001441840089 911828343 /nfs/dbraw/zinc/82/83/43/911828343.db2.gz YVEGIOUSYVZYOB-OLZOCXBDSA-N 2 0 287.404 -0.834 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC(=O)N(C)C)CN1C(=O)CC[NH+](C)C ZINC001441841862 911828741 /nfs/dbraw/zinc/82/87/41/911828741.db2.gz RPSUAMFDKVXIGK-NEPJUHHUSA-N 2 0 284.404 -0.395 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CCC[NH+]1CCCC1 ZINC001441845738 911836735 /nfs/dbraw/zinc/83/67/35/911836735.db2.gz YYGXFXNKXSOQMX-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)CN1C(=O)CC[NH+](C)C ZINC001441841872 911836953 /nfs/dbraw/zinc/83/69/53/911836953.db2.gz RPSUAMFDKVXIGK-RYUDHWBXSA-N 2 0 284.404 -0.395 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CCS(C)(=O)=O ZINC001441940146 911857470 /nfs/dbraw/zinc/85/74/70/911857470.db2.gz NZLWZOOTWVBAOL-JTQLQIEISA-N 2 0 279.406 -0.923 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC(N)=O ZINC001441940435 911858868 /nfs/dbraw/zinc/85/88/68/911858868.db2.gz KHOWSYINFHIPMR-DCAQKATOSA-N 2 0 270.377 -0.704 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001441983763 911881658 /nfs/dbraw/zinc/88/16/58/911881658.db2.gz LYXOEOOZCASZLJ-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001441983767 911882474 /nfs/dbraw/zinc/88/24/74/911882474.db2.gz LYXOEOOZCASZLJ-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP COC[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001442034030 911897628 /nfs/dbraw/zinc/89/76/28/911897628.db2.gz GKLIWJWPVDSSFE-OLZOCXBDSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CCO ZINC001442044087 911903925 /nfs/dbraw/zinc/90/39/25/911903925.db2.gz FCJGBSRUCSROFA-RYUDHWBXSA-N 2 0 273.377 -0.959 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001442121113 911933248 /nfs/dbraw/zinc/93/32/48/911933248.db2.gz IFTPBGKSQYYRNX-DGCLKSJQSA-N 2 0 294.399 -0.748 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001442165984 911941641 /nfs/dbraw/zinc/94/16/41/911941641.db2.gz BBLJATQQXZOOSX-ZDUSSCGKSA-N 2 0 296.415 -0.344 20 0 CBADRP CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001442248090 911957272 /nfs/dbraw/zinc/95/72/72/911957272.db2.gz MBMWIMVOWTWBLU-PNESKVBLSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(N)=O ZINC001442263292 911959854 /nfs/dbraw/zinc/95/98/54/911959854.db2.gz YOBLXPVNBJYSMV-GMTAPVOTSA-N 2 0 270.377 -0.704 20 0 CBADRP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]CC(=O)NC2CC2)C1 ZINC001442257760 911960155 /nfs/dbraw/zinc/96/01/55/911960155.db2.gz XMLVDRSYLWRLAZ-UHFFFAOYSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H]1CCNC1=O ZINC001442350232 911980543 /nfs/dbraw/zinc/98/05/43/911980543.db2.gz JPCNKFPGOYJUBY-WCQYABFASA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H]1CCNC1=O ZINC001442350223 911981942 /nfs/dbraw/zinc/98/19/42/911981942.db2.gz JPCNKFPGOYJUBY-DGCLKSJQSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](C(N)=O)N(C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001442599845 912058949 /nfs/dbraw/zinc/05/89/49/912058949.db2.gz BMTXKWCSOIHRGK-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001442908760 912124868 /nfs/dbraw/zinc/12/48/68/912124868.db2.gz RPDCDZZKHHVMLD-QWHCGFSZSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001443099716 912158819 /nfs/dbraw/zinc/15/88/19/912158819.db2.gz JDXDIGOVKFOJTA-QWRGUYRKSA-N 2 0 270.377 -0.737 20 0 CBADRP O=C(NC[C@@H](CO)[NH2+]CCF)C12CCC[NH+]1CCC2 ZINC001507214427 921749213 /nfs/dbraw/zinc/74/92/13/921749213.db2.gz MTZYGZSGBNSPFJ-NSHDSACASA-N 2 0 273.352 -0.349 20 0 CBADRP CCC[NH2+][C@@H](CO)CNC(=O)COC1CC[NH+](C)CC1 ZINC001507250724 921782392 /nfs/dbraw/zinc/78/23/92/921782392.db2.gz YJJIOAQTHFIWLW-GFCCVEGCSA-N 2 0 287.404 -0.426 20 0 CBADRP CC(C)[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001507252926 921784270 /nfs/dbraw/zinc/78/42/70/921784270.db2.gz MMJLELCWFAHLPA-NSHDSACASA-N 2 0 255.362 -0.443 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)[NH2+]CC2CC2)C1 ZINC001507251353 921785257 /nfs/dbraw/zinc/78/52/57/921785257.db2.gz CLSAJVOTCGBFRH-QWHCGFSZSA-N 2 0 269.389 -0.195 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)CC1 ZINC001472083748 915689549 /nfs/dbraw/zinc/68/95/49/915689549.db2.gz RMLUJGFRZIJCML-JTQLQIEISA-N 2 0 253.346 -0.330 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CCOC2CCC2)C1 ZINC001507261414 921793437 /nfs/dbraw/zinc/79/34/37/921793437.db2.gz SBTMXZSQOLVZTG-STQMWFEESA-N 2 0 299.415 -0.426 20 0 CBADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CO)[C@H]2CO)CC1 ZINC001473684131 915852356 /nfs/dbraw/zinc/85/23/56/915852356.db2.gz GFKPWEABBWWIPV-GXTWGEPZSA-N 2 0 299.415 -0.738 20 0 CBADRP C[NH+]1CCC(C[NH2+]Cc2cn(CC(N)=O)nn2)CC1 ZINC001473989284 915878926 /nfs/dbraw/zinc/87/89/26/915878926.db2.gz ZJDBUYWTWSJVDP-UHFFFAOYSA-N 2 0 266.349 -0.805 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001507316833 921808056 /nfs/dbraw/zinc/80/80/56/921808056.db2.gz FHDVUEARYDLETQ-QWRGUYRKSA-N 2 0 282.388 -0.608 20 0 CBADRP CC[N@H+](C)[C@@H]1CCN(C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC001477868211 916020787 /nfs/dbraw/zinc/02/07/87/916020787.db2.gz HAVBGRCJYHQUOY-KGLIPLIRSA-N 2 0 297.447 -0.032 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001479415727 916129228 /nfs/dbraw/zinc/12/92/28/916129228.db2.gz STXZMHPYXRRBFV-JOCQHMNTSA-N 2 0 296.415 -0.345 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC[C@@H]([NH+](CCO)CCO)C1 ZINC001479659168 916147315 /nfs/dbraw/zinc/14/73/15/916147315.db2.gz PIJPDRXEDCNROV-CQSZACIVSA-N 2 0 299.415 -0.640 20 0 CBADRP CN1CC[C@H]([N@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001479762696 916165375 /nfs/dbraw/zinc/16/53/75/916165375.db2.gz UYMYKDIFGWBKGL-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CN1CC[C@@H]([N@H+](C)CCCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001479812700 916183372 /nfs/dbraw/zinc/18/33/72/916183372.db2.gz RAXUMERDAWGNOO-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[C@H](C(=O)NCCC[N@H+](C)[C@@H](C)C(=O)NC)[NH+](C)C ZINC001479808121 916184757 /nfs/dbraw/zinc/18/47/57/916184757.db2.gz QDSUSRUDRVUPRL-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCO)C1 ZINC001479911934 916208382 /nfs/dbraw/zinc/20/83/82/916208382.db2.gz VCQSNIBTYBIWBD-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP C[C@@H](O)C[NH+]1CCN(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001479940919 916221945 /nfs/dbraw/zinc/22/19/45/916221945.db2.gz CPGCWVQTGSOOGJ-CQSZACIVSA-N 2 0 298.431 -0.803 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001480029012 916266238 /nfs/dbraw/zinc/26/62/38/916266238.db2.gz ZEHCIJVUKNPVGT-CYBMUJFWSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC001480085701 916282561 /nfs/dbraw/zinc/28/25/61/916282561.db2.gz SPDBJJCCVPMACH-ZDUSSCGKSA-N 2 0 298.431 -0.016 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001480164958 916313822 /nfs/dbraw/zinc/31/38/22/916313822.db2.gz YNKXGQUDWYDPIZ-JOCQHMNTSA-N 2 0 294.403 -0.143 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CCOCCO)C1 ZINC001480171319 916315301 /nfs/dbraw/zinc/31/53/01/916315301.db2.gz OOOHMWDPCFWPHH-JOCQHMNTSA-N 2 0 285.388 -0.672 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]CCCO)C2)C1 ZINC001480167513 916318602 /nfs/dbraw/zinc/31/86/02/916318602.db2.gz MOAFAYQPRSIKON-AVGNSLFASA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH+]1CCC(C(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001480295115 916352161 /nfs/dbraw/zinc/35/21/61/916352161.db2.gz VXGUTCNHHZMQPT-GFCCVEGCSA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H]1CCNC1=O ZINC001480478488 916431769 /nfs/dbraw/zinc/43/17/69/916431769.db2.gz ZKGIHEAWPYXIPI-CMPLNLGQSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cnnn1C ZINC001480538381 916463014 /nfs/dbraw/zinc/46/30/14/916463014.db2.gz XRYQAYHJOCPWBI-VXGBXAGGSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)C(N)=O ZINC001480560153 916472841 /nfs/dbraw/zinc/47/28/41/916472841.db2.gz UBQQSRJXRVQJQM-NEPJUHHUSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)C(N)=O ZINC001480560155 916473079 /nfs/dbraw/zinc/47/30/79/916473079.db2.gz UBQQSRJXRVQJQM-RYUDHWBXSA-N 2 0 284.404 -0.314 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001480571557 916479655 /nfs/dbraw/zinc/47/96/55/916479655.db2.gz INXUFLMYFLYNLD-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CCO ZINC001480580500 916484321 /nfs/dbraw/zinc/48/43/21/916484321.db2.gz QBTCNVSCEPEBGD-AAEUAGOBSA-N 2 0 255.362 -0.441 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001480598209 916486412 /nfs/dbraw/zinc/48/64/12/916486412.db2.gz ZDCMTDDCFJQVMO-LBPRGKRZSA-N 2 0 286.420 -0.055 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001480649056 916510315 /nfs/dbraw/zinc/51/03/15/916510315.db2.gz RUDJDRGXLCUPGR-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001480674373 916515680 /nfs/dbraw/zinc/51/56/80/916515680.db2.gz OSOVWWDFJCXCMP-MNOVXSKESA-N 2 0 270.377 -0.750 20 0 CBADRP CC[C@H](C(=O)NCC[N@H+](CC)[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001480982849 916670701 /nfs/dbraw/zinc/67/07/01/916670701.db2.gz IUWOASUJRCETOD-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)[C@@H]1CCNC1=O ZINC001481000323 916679265 /nfs/dbraw/zinc/67/92/65/916679265.db2.gz VMDPWCPXYMIQPN-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001481056606 916696332 /nfs/dbraw/zinc/69/63/32/916696332.db2.gz RSFMXHZTZIZXOD-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001481055578 916700021 /nfs/dbraw/zinc/70/00/21/916700021.db2.gz IUGNGMOCEOGSJU-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001481055579 916700385 /nfs/dbraw/zinc/70/03/85/916700385.db2.gz IUGNGMOCEOGSJU-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001481228637 916778320 /nfs/dbraw/zinc/77/83/20/916778320.db2.gz HHJZCSQUAUERHW-CHWSQXEVSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](O)C[NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001481272942 916797718 /nfs/dbraw/zinc/79/77/18/916797718.db2.gz MFNUUYSWCTXOQA-NSHDSACASA-N 2 0 257.378 -0.243 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCN(C)C(=O)CC[NH+](C)C ZINC001481276477 916803194 /nfs/dbraw/zinc/80/31/94/916803194.db2.gz BXUGJXIINKPNSM-UHFFFAOYSA-N 2 0 272.393 -0.536 20 0 CBADRP CN(C)C(=O)C[NH2+]CCN(C)C(=O)CC[NH+](C)C ZINC001481277609 916804574 /nfs/dbraw/zinc/80/45/74/916804574.db2.gz ROMAYITZJLWYKN-UHFFFAOYSA-N 2 0 258.366 -0.926 20 0 CBADRP CN(CC[NH2+]CC(=O)N1CCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481314352 916814216 /nfs/dbraw/zinc/81/42/16/916814216.db2.gz FISDXOLQBBUOFL-GFCCVEGCSA-N 2 0 282.388 -0.782 20 0 CBADRP CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001481306533 916814533 /nfs/dbraw/zinc/81/45/33/916814533.db2.gz VFSCNBSIDFDKIH-ZDUSSCGKSA-N 2 0 286.420 -0.243 20 0 CBADRP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481314243 916815845 /nfs/dbraw/zinc/81/58/45/916815845.db2.gz BWSSQLSJABGERV-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481314678 916817743 /nfs/dbraw/zinc/81/77/43/916817743.db2.gz JWIIVPQJYFEZNS-VXGBXAGGSA-N 2 0 282.388 -0.783 20 0 CBADRP O=C(NCC[C@@H]1CC[N@@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC001481455535 916837452 /nfs/dbraw/zinc/83/74/52/916837452.db2.gz AQCYMAFHLFJBFK-CYBMUJFWSA-N 2 0 281.400 -0.097 20 0 CBADRP CNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001481478915 916847156 /nfs/dbraw/zinc/84/71/56/916847156.db2.gz CCYGVJAZCREZCT-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP CN(C(=O)COC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCO)C1 ZINC001481748533 916979143 /nfs/dbraw/zinc/97/91/43/916979143.db2.gz QNGCGDSVVOEFNW-CYBMUJFWSA-N 2 0 299.415 -0.378 20 0 CBADRP CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CCO ZINC001481845577 917002081 /nfs/dbraw/zinc/00/20/81/917002081.db2.gz INQCKMIVILFUHD-NSHDSACASA-N 2 0 257.378 -0.195 20 0 CBADRP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H]1CCCNC1=O ZINC001481850652 917006208 /nfs/dbraw/zinc/00/62/08/917006208.db2.gz WMHRMTDTHZLJHP-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481873592 917012317 /nfs/dbraw/zinc/01/23/17/917012317.db2.gz BFHQWJSQCYIVSS-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001481873590 917013669 /nfs/dbraw/zinc/01/36/69/917013669.db2.gz BFHQWJSQCYIVSS-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001481941330 917024699 /nfs/dbraw/zinc/02/46/99/917024699.db2.gz RGCUTYYVNWOLIK-HNNXBMFYSA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001482057702 917034789 /nfs/dbraw/zinc/03/47/89/917034789.db2.gz QLRRRMHMMHMWOW-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1ncnn1C ZINC001482086078 917049268 /nfs/dbraw/zinc/04/92/68/917049268.db2.gz WKPTXCDITYCLDT-NEPJUHHUSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@H]1CCCN(C)C1=O ZINC001482136261 917064393 /nfs/dbraw/zinc/06/43/93/917064393.db2.gz HSODJTVTBYCWIP-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)N(C)C ZINC001482167046 917072581 /nfs/dbraw/zinc/07/25/81/917072581.db2.gz AEBVOIKNJBGWML-NEPJUHHUSA-N 2 0 284.404 -0.632 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)NC ZINC001482173284 917077074 /nfs/dbraw/zinc/07/70/74/917077074.db2.gz IYCAPWHTIAIXBM-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCCNC1=O)N(C)C(=O)CC[NH+](C)C ZINC001482326378 917124868 /nfs/dbraw/zinc/12/48/68/917124868.db2.gz RMSSDHWJUNOKBQ-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCCNC1=O)N(C)C(=O)CC[NH+](C)C ZINC001482326379 917126238 /nfs/dbraw/zinc/12/62/38/917126238.db2.gz RMSSDHWJUNOKBQ-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001482495836 917150409 /nfs/dbraw/zinc/15/04/09/917150409.db2.gz STZFTGSFJDQYBL-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)C(N)=O ZINC001482554280 917156763 /nfs/dbraw/zinc/15/67/63/917156763.db2.gz KDMJYPTUOSWHMS-QWRGUYRKSA-N 2 0 272.393 -0.458 20 0 CBADRP CNC(=O)[C@@H](C)N(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482587149 917168467 /nfs/dbraw/zinc/16/84/67/917168467.db2.gz ZJTNWURCHRARFW-NEPJUHHUSA-N 2 0 284.404 -0.395 20 0 CBADRP O=C(NC[C@H](O)C[NH2+]CC1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001482728565 917235696 /nfs/dbraw/zinc/23/56/96/917235696.db2.gz HJQGXRKQDPBMFU-ZIAGYGMSSA-N 2 0 281.400 -0.195 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC1CC1 ZINC001482758461 917257278 /nfs/dbraw/zinc/25/72/78/917257278.db2.gz CYFRRWGPTJVDFX-STQMWFEESA-N 2 0 269.389 -0.053 20 0 CBADRP COCC[NH2+]C[C@H](O)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482765688 917262964 /nfs/dbraw/zinc/26/29/64/917262964.db2.gz BBECGSWKGGAVLM-RYUDHWBXSA-N 2 0 273.377 -0.959 20 0 CBADRP CCC[NH2+]C[C@H](O)CNC(=O)COC1CC[NH+](C)CC1 ZINC001482781359 917279368 /nfs/dbraw/zinc/27/93/68/917279368.db2.gz PWIIBUGWXLWIBD-LBPRGKRZSA-N 2 0 287.404 -0.426 20 0 CBADRP CC[C@@H](C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)OC ZINC001482786268 917283674 /nfs/dbraw/zinc/28/36/74/917283674.db2.gz SSGUXMRVJYYAOY-STQMWFEESA-N 2 0 299.415 -0.426 20 0 CBADRP CC(C)OCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482790676 917285867 /nfs/dbraw/zinc/28/58/67/917285867.db2.gz HKFPJXIIZAUVSP-QWHCGFSZSA-N 2 0 287.404 -0.570 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC2CCOCC2)C1 ZINC001482791463 917287130 /nfs/dbraw/zinc/28/71/30/917287130.db2.gz SHUVZOUHWNHZCD-ZIAGYGMSSA-N 2 0 299.415 -0.569 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]C[C@H]1CCCOC1 ZINC001482791404 917288853 /nfs/dbraw/zinc/28/88/53/917288853.db2.gz ASVMSPUKFWHXNU-KGLIPLIRSA-N 2 0 299.415 -0.425 20 0 CBADRP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482831922 917306893 /nfs/dbraw/zinc/30/68/93/917306893.db2.gz CFDYGNWQTGVEQS-CMPLNLGQSA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001482840642 917309077 /nfs/dbraw/zinc/30/90/77/917309077.db2.gz YCOUDFUPFQXOJX-NEPJUHHUSA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482865908 917316574 /nfs/dbraw/zinc/31/65/74/917316574.db2.gz SBQDRDRVKPPNOR-AVGNSLFASA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](CC[NH2+]CC(=O)N1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482899305 917326392 /nfs/dbraw/zinc/32/63/92/917326392.db2.gz NRYFNCKPNZJYHY-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](CC[NH2+]CC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001482899613 917329699 /nfs/dbraw/zinc/32/96/99/917329699.db2.gz SNZFQLPYNRZHJT-SNVBAGLBSA-N 2 0 256.350 -0.948 20 0 CBADRP CC[C@@H]([NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001482966708 917350458 /nfs/dbraw/zinc/35/04/58/917350458.db2.gz HETCYOAMKGFOFX-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001483009895 917373566 /nfs/dbraw/zinc/37/35/66/917373566.db2.gz IHCITGPGLFJDLJ-MVZIDQBPSA-N 2 0 282.388 -0.394 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001483046018 917385801 /nfs/dbraw/zinc/38/58/01/917385801.db2.gz ASVGYWSUZDWJDF-BYCRGOAPSA-N 2 0 268.361 -0.782 20 0 CBADRP C[C@H]([NH2+]C/C=C/CNC(=O)CC[NH+](C)C)C(N)=O ZINC001483054198 917390947 /nfs/dbraw/zinc/39/09/47/917390947.db2.gz KPZYOINKVAJDKX-YEZKRMTDSA-N 2 0 256.350 -0.926 20 0 CBADRP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]CC(N)=O)[NH+](C)C ZINC001483056019 917391889 /nfs/dbraw/zinc/39/18/89/917391889.db2.gz FJCLKJQIZMTDAV-BTDICHCPSA-N 2 0 270.377 -0.680 20 0 CBADRP C[C@@H]([NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001483054202 917393833 /nfs/dbraw/zinc/39/38/33/917393833.db2.gz KUNURCVCQVWHAL-DLRQAJBASA-N 2 0 282.388 -0.536 20 0 CBADRP COC[C@H](O)C[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001483083914 917405240 /nfs/dbraw/zinc/40/52/40/917405240.db2.gz SMWPXKHEKCWPJW-XQJDBVBESA-N 2 0 297.399 -0.649 20 0 CBADRP CN(C)C(=O)C[NH2+]C/C=C/CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483082724 917405822 /nfs/dbraw/zinc/40/58/22/917405822.db2.gz VQOMZEPWNFWMDM-IHVVCDCBSA-N 2 0 296.415 -0.322 20 0 CBADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC(N)=O)CC1 ZINC001483180837 917451785 /nfs/dbraw/zinc/45/17/85/917451785.db2.gz IKMAUHRUQFZFJZ-LLVKDONJSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]CC(=O)NC ZINC001483182335 917454131 /nfs/dbraw/zinc/45/41/31/917454131.db2.gz UVBNPGVNCXGHKT-SNVBAGLBSA-N 2 0 258.366 -0.832 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483192676 917458955 /nfs/dbraw/zinc/45/89/55/917458955.db2.gz CDWRNIAYBKHYQL-NEPJUHHUSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483261054 917501544 /nfs/dbraw/zinc/50/15/44/917501544.db2.gz SHUCXVDYJVMQCD-RYUDHWBXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483282998 917504794 /nfs/dbraw/zinc/50/47/94/917504794.db2.gz GCFREBSDZQGEID-RYUDHWBXSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)NC(=O)CN(C)Cc1ccccc1 ZINC001483299254 917510632 /nfs/dbraw/zinc/51/06/32/917510632.db2.gz TUFLVFVKRWAOEO-LBPRGKRZSA-N 2 0 292.383 -0.302 20 0 CBADRP C[C@@H](C[NH2+]CCCO)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001483288205 917511841 /nfs/dbraw/zinc/51/18/41/917511841.db2.gz SXPJVNGIBTYDRR-JSGCOSHPSA-N 2 0 269.389 -0.051 20 0 CBADRP C[C@@H](C[N@H+](C)CCO)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483340332 917539582 /nfs/dbraw/zinc/53/95/82/917539582.db2.gz ZRJAPJBQJIWXGC-AAEUAGOBSA-N 2 0 269.389 -0.243 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001483442826 917563384 /nfs/dbraw/zinc/56/33/84/917563384.db2.gz PQRIZLKLANGOPP-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001483471345 917575041 /nfs/dbraw/zinc/57/50/41/917575041.db2.gz YOAUAGSXGDFPCM-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]CC(=O)NC)CC[N@@H+]1C ZINC001483466796 917575562 /nfs/dbraw/zinc/57/55/62/917575562.db2.gz PSBGHIONADYCAN-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001483484888 917579522 /nfs/dbraw/zinc/57/95/22/917579522.db2.gz VDBCNISHTCIKQM-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)CCC[NH2+][C@@H]1CCN(C)C1=O ZINC001483502002 917583378 /nfs/dbraw/zinc/58/33/78/917583378.db2.gz NBCKXSOMWVHRKX-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001483722475 917657229 /nfs/dbraw/zinc/65/72/29/917657229.db2.gz XVRXLHLBSHYGIJ-QWRGUYRKSA-N 2 0 280.372 -0.793 20 0 CBADRP CN1CC[C@H]([NH2+]C2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001483721851 917657292 /nfs/dbraw/zinc/65/72/92/917657292.db2.gz LHDCBQKHPPKZHM-RYUDHWBXSA-N 2 0 294.399 -0.450 20 0 CBADRP CC[C@H](C(=O)NCC1([NH2+][C@H](C)C(=O)NC)CC1)[NH+](C)C ZINC001483745581 917669140 /nfs/dbraw/zinc/66/91/40/917669140.db2.gz GAGPFYLXMQBAMS-GHMZBOCLSA-N 2 0 284.404 -0.301 20 0 CBADRP CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001483791104 917680181 /nfs/dbraw/zinc/68/01/81/917680181.db2.gz QONNYWJNQQLMGN-LLVKDONJSA-N 2 0 282.388 -0.687 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001483940910 917707525 /nfs/dbraw/zinc/70/75/25/917707525.db2.gz ILLBWCCFDGXLLG-WDEREUQCSA-N 2 0 268.361 -0.854 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](CCOCCO)C2)C1 ZINC001484072491 917734077 /nfs/dbraw/zinc/73/40/77/917734077.db2.gz VOQVBYJUVAIYIQ-DZGCQCFKSA-N 2 0 299.415 -0.472 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC(N)=O)CC1 ZINC001484132090 917745110 /nfs/dbraw/zinc/74/51/10/917745110.db2.gz KXFFLEMYYAELEG-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCO)CCOCC2)C1 ZINC001484187641 917747282 /nfs/dbraw/zinc/74/72/82/917747282.db2.gz IPTKSYCFIYJGKT-ZDUSSCGKSA-N 2 0 299.415 -0.425 20 0 CBADRP CC[N@@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001484238771 917785085 /nfs/dbraw/zinc/78/50/85/917785085.db2.gz LVKXDQJQDGYCDN-AWEZNQCLSA-N 2 0 269.389 -0.099 20 0 CBADRP COCCC[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001484238797 917786284 /nfs/dbraw/zinc/78/62/84/917786284.db2.gz MBWAFTJYPSAQDO-CQSZACIVSA-N 2 0 287.404 -0.472 20 0 CBADRP CC[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CC)C1)[NH+](C)C ZINC001484238881 917787269 /nfs/dbraw/zinc/78/72/69/917787269.db2.gz ZNSDAURTEIOIOF-AAEUAGOBSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001484250196 917791094 /nfs/dbraw/zinc/79/10/94/917791094.db2.gz DBBNOZFRQGVXBT-ZDUSSCGKSA-N 2 0 255.362 -0.345 20 0 CBADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C[NH2+]CC(N)=O ZINC001484375206 917835173 /nfs/dbraw/zinc/83/51/73/917835173.db2.gz IAXQHUYVIZIRDQ-RYUDHWBXSA-N 2 0 284.404 -0.502 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001484443407 917855570 /nfs/dbraw/zinc/85/55/70/917855570.db2.gz GTGNLSUNBKLVSY-ZFWWWQNUSA-N 2 0 299.415 -0.736 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+]CCO)CC[N@@H+]1C ZINC001484483538 917869954 /nfs/dbraw/zinc/86/99/54/917869954.db2.gz RAOJOWOIGIFYKC-QWHCGFSZSA-N 2 0 287.404 -0.881 20 0 CBADRP O=C([C@@H]1CCC[C@@H]2CCC[N@@H+]21)N(CCO)CC[NH2+]CCO ZINC001484495979 917878139 /nfs/dbraw/zinc/87/81/39/917878139.db2.gz IRZXWQDVKVGOSC-KGLIPLIRSA-N 2 0 299.415 -0.594 20 0 CBADRP O=C(NCC1([NH2+]CCO)CCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001484634514 917901976 /nfs/dbraw/zinc/90/19/76/917901976.db2.gz OFFHFTRURXAJGL-CYBMUJFWSA-N 2 0 281.400 -0.051 20 0 CBADRP COCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001484671486 917914089 /nfs/dbraw/zinc/91/40/89/917914089.db2.gz PEAFYFWCAUEFAA-CHWSQXEVSA-N 2 0 285.388 -0.456 20 0 CBADRP C[N@H+](CC(=O)N1CCO[C@@H](C[NH2+]CCO)C1)C1CCC1 ZINC001484681786 917921337 /nfs/dbraw/zinc/92/13/37/917921337.db2.gz ZNBMIYSQJGNSBB-ZDUSSCGKSA-N 2 0 285.388 -0.720 20 0 CBADRP CO[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001484698991 917927713 /nfs/dbraw/zinc/92/77/13/917927713.db2.gz JWIYWQKXELYTHB-ZIAGYGMSSA-N 2 0 299.415 -0.066 20 0 CBADRP CNC(=O)C[N@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001484768987 917937342 /nfs/dbraw/zinc/93/73/42/917937342.db2.gz ZMAGEHZPVMZOQU-UHFFFAOYSA-N 2 0 284.404 -0.392 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC[C@](CO)([NH2+]CCF)C1 ZINC001484852606 917946748 /nfs/dbraw/zinc/94/67/48/917946748.db2.gz BFPFEHFQBFQSQQ-AWEZNQCLSA-N 2 0 287.379 -0.005 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]CCO)CCOCC2)C1 ZINC001484872171 917956172 /nfs/dbraw/zinc/95/61/72/917956172.db2.gz UVWZCARLDQAGAK-LBPRGKRZSA-N 2 0 285.388 -0.815 20 0 CBADRP CN1CC[C@H]([NH2+]CC2CC(NC(=O)CC[NH+](C)C)C2)C1=O ZINC001485101598 917994134 /nfs/dbraw/zinc/99/41/34/917994134.db2.gz VVSCWPQFJINEMG-BPCQOVAHSA-N 2 0 296.415 -0.347 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001485223707 918032334 /nfs/dbraw/zinc/03/23/34/918032334.db2.gz ANHYIMWJVHHUDO-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001485215238 918032775 /nfs/dbraw/zinc/03/27/75/918032775.db2.gz LUTNTDHJXRZACF-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(N)=O ZINC001485229847 918033019 /nfs/dbraw/zinc/03/30/19/918033019.db2.gz MWKGJBRIZZLVLC-UWVGGRQHSA-N 2 0 258.366 -0.705 20 0 CBADRP CNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001485265407 918038423 /nfs/dbraw/zinc/03/84/23/918038423.db2.gz YTMFZAXREWDZMI-LBPRGKRZSA-N 2 0 298.431 -0.242 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)CCO ZINC001485343593 918082521 /nfs/dbraw/zinc/08/25/21/918082521.db2.gz HMINFGZVTQOZMP-LLVKDONJSA-N 2 0 257.378 -0.243 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001485373127 918098930 /nfs/dbraw/zinc/09/89/30/918098930.db2.gz KQWNGRUZJNUYSO-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CC(N)=O)CCCCC1 ZINC001485447790 918123459 /nfs/dbraw/zinc/12/34/59/918123459.db2.gz FCMOWDYSOZCTKL-GFCCVEGCSA-N 2 0 296.415 -0.025 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001485695856 918170778 /nfs/dbraw/zinc/17/07/78/918170778.db2.gz PBPGETMAOGKLNV-SRVKXCTJSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@@H](CCC[NH2+]CC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485748949 918182136 /nfs/dbraw/zinc/18/21/36/918182136.db2.gz QEVOSOPFTZTPCQ-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CCC[NH+](C)C)C(N)=O ZINC001485916522 918224522 /nfs/dbraw/zinc/22/45/22/918224522.db2.gz STDNOPOICVWNKA-WDEREUQCSA-N 2 0 272.393 -0.362 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC ZINC001486002011 918292912 /nfs/dbraw/zinc/29/29/12/918292912.db2.gz LMJGQRNOHFBCFI-RYUDHWBXSA-N 2 0 257.378 -0.053 20 0 CBADRP COC[C@@H](C)[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001486031582 918322254 /nfs/dbraw/zinc/32/22/54/918322254.db2.gz UBJTXZPWLFXFMD-YPMHNXCESA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CC[NH+](C)C ZINC001486084940 918359273 /nfs/dbraw/zinc/35/92/73/918359273.db2.gz MZYVWGZQMTVZGV-VHSXEESVSA-N 2 0 256.350 -0.998 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCO)C[C@H]1C ZINC001486131145 918371247 /nfs/dbraw/zinc/37/12/47/918371247.db2.gz UOSLIBGBTMZZBD-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CCO)CN1C(=O)CCC[NH+](C)C ZINC001486122610 918373727 /nfs/dbraw/zinc/37/37/27/918373727.db2.gz SOKYVRLYYFDVBK-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001486220096 918385319 /nfs/dbraw/zinc/38/53/19/918385319.db2.gz XNQVLNPJGSACRK-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CN(C[C@@H](O)C[NH2+]C[C@H]1CCOC1)C(=O)CC[NH+](C)C ZINC001486298455 918415759 /nfs/dbraw/zinc/41/57/59/918415759.db2.gz PKHCRZKSEJGCAG-OLZOCXBDSA-N 2 0 287.404 -0.617 20 0 CBADRP CN(CCOCC[NH2+]CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001486494236 918476747 /nfs/dbraw/zinc/47/67/47/918476747.db2.gz CWKXDEKPJPYJOI-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001488785129 918766919 /nfs/dbraw/zinc/76/69/19/918766919.db2.gz MMYALXWTQXDISC-BETUJISGSA-N 2 0 298.431 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCO)C1 ZINC001488817066 918773163 /nfs/dbraw/zinc/77/31/63/918773163.db2.gz UFDPLIIPFKEPJK-AVGNSLFASA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001489031532 918784568 /nfs/dbraw/zinc/78/45/68/918784568.db2.gz LQNDYFVIBAWOPO-AGIUHOORSA-N 2 0 296.415 -0.217 20 0 CBADRP CNC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001490166420 918852002 /nfs/dbraw/zinc/85/20/02/918852002.db2.gz QOWYJTHGFNPPBG-NSHDSACASA-N 2 0 270.377 -0.735 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001490213031 918862469 /nfs/dbraw/zinc/86/24/69/918862469.db2.gz BFTNSJOFAAQBGC-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H](C(=O)N(C)C)[N@H+](C)CCCNC(=O)CC[NH+](C)C ZINC001490245180 918874527 /nfs/dbraw/zinc/87/45/27/918874527.db2.gz LVMGBQXLAYQFOT-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP CNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001490270475 918880476 /nfs/dbraw/zinc/88/04/76/918880476.db2.gz PVTZNALHPAQCEJ-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001490279529 918885390 /nfs/dbraw/zinc/88/53/90/918885390.db2.gz IRXCDVLDSJAPRN-NWDGAFQWSA-N 2 0 282.388 -0.735 20 0 CBADRP CCNC(=O)C[N@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001490356618 918894302 /nfs/dbraw/zinc/89/43/02/918894302.db2.gz JDOIFESRYQLOME-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CNC(=O)[C@H](C)[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001490416022 918904795 /nfs/dbraw/zinc/90/47/95/918904795.db2.gz IHTUQJSWXQVIEJ-LBPRGKRZSA-N 2 0 298.431 -0.005 20 0 CBADRP COCC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001490485495 918913129 /nfs/dbraw/zinc/91/31/29/918913129.db2.gz GJEGJMAYZKCCNQ-AWEZNQCLSA-N 2 0 298.431 -0.539 20 0 CBADRP C[C@@H](O)C[NH+]1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001490500301 918918432 /nfs/dbraw/zinc/91/84/32/918918432.db2.gz CGEPIZOZMVOEOR-CYBMUJFWSA-N 2 0 286.420 -0.947 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001490558255 918934318 /nfs/dbraw/zinc/93/43/18/918934318.db2.gz DGOVVGSRPZCUMV-ZDUSSCGKSA-N 2 0 294.403 -0.190 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001490836704 918976465 /nfs/dbraw/zinc/97/64/65/918976465.db2.gz XVXLSZJCAOVHPQ-SDDRHHMPSA-N 2 0 282.388 -0.594 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001490841347 918977028 /nfs/dbraw/zinc/97/70/28/918977028.db2.gz JSNZNLJXYKRURS-LBPRGKRZSA-N 2 0 273.377 -0.863 20 0 CBADRP C[NH+](C)CCCCC(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001490852437 918979756 /nfs/dbraw/zinc/97/97/56/918979756.db2.gz GFXVVHHXECTNLU-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001490876188 918984364 /nfs/dbraw/zinc/98/43/64/918984364.db2.gz DKLIOBWOADPCSV-KKOKHZNYSA-N 2 0 282.388 -0.548 20 0 CBADRP Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)nn1 ZINC001490922118 918990207 /nfs/dbraw/zinc/99/02/07/918990207.db2.gz MGTXTNVYLUFHJB-HAQNSBGRSA-N 2 0 294.403 -0.106 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001490924804 918993300 /nfs/dbraw/zinc/99/33/00/918993300.db2.gz NZSMUAZBMIPQHV-RAIGVLPGSA-N 2 0 296.415 -0.301 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001491419219 919150184 /nfs/dbraw/zinc/15/01/84/919150184.db2.gz ZMOBDLREZNGONJ-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NC ZINC001491474597 919177724 /nfs/dbraw/zinc/17/77/24/919177724.db2.gz VLTXPCNSRLEIAP-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@@H]1CCNC1=O ZINC001491514161 919188806 /nfs/dbraw/zinc/18/88/06/919188806.db2.gz ZTTZTRIAHKSRAX-VXGBXAGGSA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1cnnn1C ZINC001491568246 919208683 /nfs/dbraw/zinc/20/86/83/919208683.db2.gz WMCULDLLOXHRBM-NSHDSACASA-N 2 0 282.392 -0.249 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C ZINC001491569827 919212917 /nfs/dbraw/zinc/21/29/17/919212917.db2.gz UIBJBOOUGVYOET-NSHDSACASA-N 2 0 272.393 -0.443 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001491672803 919253712 /nfs/dbraw/zinc/25/37/12/919253712.db2.gz DDNMEHLFMOAAJI-RYUDHWBXSA-N 2 0 296.415 -0.156 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CCOCCO)C2)C1 ZINC001491771122 919270810 /nfs/dbraw/zinc/27/08/10/919270810.db2.gz UHRUCLTVODJEQD-OLZOCXBDSA-N 2 0 285.388 -0.863 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001491849113 919290285 /nfs/dbraw/zinc/29/02/85/919290285.db2.gz DKRSMINBQSECIW-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[C@@H]([NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001491855840 919290670 /nfs/dbraw/zinc/29/06/70/919290670.db2.gz IIKFHBXMTMATPX-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NCC)C1 ZINC001491849701 919291016 /nfs/dbraw/zinc/29/10/16/919291016.db2.gz KQMFAPYFNOYLOJ-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP C[N@H+](CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001491876723 919294404 /nfs/dbraw/zinc/29/44/04/919294404.db2.gz IDAZERCKLGXPTF-NEPJUHHUSA-N 2 0 296.415 -0.027 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001491884400 919296746 /nfs/dbraw/zinc/29/67/46/919296746.db2.gz BEUQHVRYRNPFIE-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP Cn1cc(CC[N@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)cn1 ZINC001492853132 919434751 /nfs/dbraw/zinc/43/47/51/919434751.db2.gz AJFZETOCBOGHAN-AWEZNQCLSA-N 2 0 293.415 -0.038 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001492925411 919447990 /nfs/dbraw/zinc/44/79/90/919447990.db2.gz CUQILFBMXAETKH-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[N@H+](CCNC(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCNC1=O ZINC001493012731 919468546 /nfs/dbraw/zinc/46/85/46/919468546.db2.gz UIKOHTVUSUTPGI-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CCC[N@@H+]1CCO ZINC001493159595 919488672 /nfs/dbraw/zinc/48/86/72/919488672.db2.gz CMNLQXVACKZUMY-UONOGXRCSA-N 2 0 299.415 -0.472 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001493235660 919508169 /nfs/dbraw/zinc/50/81/69/919508169.db2.gz XELLTGPBQUAROO-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493235086 919510174 /nfs/dbraw/zinc/51/01/74/919510174.db2.gz VDJUWDKZBMXNJO-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP CN(CC[NH2+]CC(N)=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001493584142 919585200 /nfs/dbraw/zinc/58/52/00/919585200.db2.gz KNXJOUQPTUZJPB-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001493681235 919602815 /nfs/dbraw/zinc/60/28/15/919602815.db2.gz FTCKPNMWKKUYQQ-LLVKDONJSA-N 2 0 272.393 -0.537 20 0 CBADRP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001493762104 919616142 /nfs/dbraw/zinc/61/61/42/919616142.db2.gz QAUYOPVAFSRHIB-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001493763456 919616666 /nfs/dbraw/zinc/61/66/66/919616666.db2.gz LVRURFMHRTZZHO-UHFFFAOYSA-N 2 0 296.415 -0.345 20 0 CBADRP CCCNC(=O)C[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001493761443 919616820 /nfs/dbraw/zinc/61/68/20/919616820.db2.gz KHPGWVPSONXJQU-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CN(CC[NH2+]CC(=O)NC1CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001493793717 919620283 /nfs/dbraw/zinc/62/02/83/919620283.db2.gz KSQDZVHCWRUPFB-LLVKDONJSA-N 2 0 282.388 -0.735 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001493770036 919621103 /nfs/dbraw/zinc/62/11/03/919621103.db2.gz XSBBCNPXRMMZTE-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001493806842 919626554 /nfs/dbraw/zinc/62/65/54/919626554.db2.gz PZVILYNZTYIMCW-JTQLQIEISA-N 2 0 258.366 -0.752 20 0 CBADRP C[N@H+](CCO)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001494182001 919669497 /nfs/dbraw/zinc/66/94/97/919669497.db2.gz VMHRJFZUYWCSKH-STQMWFEESA-N 2 0 269.389 -0.289 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001494848947 919804322 /nfs/dbraw/zinc/80/43/22/919804322.db2.gz UIUBSAXPZDOCAC-NWDGAFQWSA-N 2 0 284.404 -0.265 20 0 CBADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCCNC1=O ZINC001495110800 919865133 /nfs/dbraw/zinc/86/51/33/919865133.db2.gz YPLYLTDNYUBUGQ-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP CNC(=O)C[NH2+]C[C@@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001495302664 919887981 /nfs/dbraw/zinc/88/79/81/919887981.db2.gz YDCLYOCJDUMVLK-OAHLLOKOSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1cnn(C)n1 ZINC001495731714 919936469 /nfs/dbraw/zinc/93/64/69/919936469.db2.gz SXGLWMULEUQXLC-LLVKDONJSA-N 2 0 282.392 -0.391 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496230433 920047968 /nfs/dbraw/zinc/04/79/68/920047968.db2.gz WLJQZFHJRKZSSH-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001496598740 920093336 /nfs/dbraw/zinc/09/33/36/920093336.db2.gz MOYLPFMTNSUIDM-ZDUSSCGKSA-N 2 0 298.431 -0.195 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001496598739 920093443 /nfs/dbraw/zinc/09/34/43/920093443.db2.gz MOYLPFMTNSUIDM-CYBMUJFWSA-N 2 0 298.431 -0.195 20 0 CBADRP CN(CC[N@H+](C)CCOCCO)C(=O)C12CC[NH+](CC1)C2 ZINC001496817365 920137220 /nfs/dbraw/zinc/13/72/20/920137220.db2.gz XQQQSKOJXXQTMN-UHFFFAOYSA-N 2 0 299.415 -0.519 20 0 CBADRP COCC[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001497001050 920200618 /nfs/dbraw/zinc/20/06/18/920200618.db2.gz DVOBTOHPRRIXNX-ZDUSSCGKSA-N 2 0 299.415 -0.425 20 0 CBADRP CC(C)OCC[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001497092314 920246241 /nfs/dbraw/zinc/24/62/41/920246241.db2.gz QJRCADFUCSICKV-CYBMUJFWSA-N 2 0 299.415 -0.426 20 0 CBADRP CC[C@@H]([NH2+]CC[C@H](C)NC(=O)C[NH+]1CCCC1)C(N)=O ZINC001497321836 920279929 /nfs/dbraw/zinc/27/99/29/920279929.db2.gz GXOKNSMELZEDBB-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP CCN(CC[NH2+]CC(=O)N(C)C)C(=O)C1(C[NH+](C)C)CC1 ZINC001497442862 920306201 /nfs/dbraw/zinc/30/62/01/920306201.db2.gz XSXALPMCBBFSPF-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001497495401 920309582 /nfs/dbraw/zinc/30/95/82/920309582.db2.gz GTQKMGUFWNJHOB-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP CCNC(=O)C[NH2+]CCN(CC)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497484195 920309937 /nfs/dbraw/zinc/30/99/37/920309937.db2.gz JCGBZNAWZIIQBD-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001497548141 920329126 /nfs/dbraw/zinc/32/91/26/920329126.db2.gz IQVZDDNPBFUQSR-SEUFLZDSSA-N 2 0 268.361 -0.784 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CCO)CC[N@@H+]1C ZINC001497585577 920350168 /nfs/dbraw/zinc/35/01/68/920350168.db2.gz KLANNBXNUQMYEW-OPVGQWETSA-N 2 0 255.362 -0.419 20 0 CBADRP CCN1CC[C@@H]([NH2+]C/C=C\CNC(=O)CC[NH+](C)C)C1=O ZINC001497676303 920365916 /nfs/dbraw/zinc/36/59/16/920365916.db2.gz XNIXNYGAFJGVFJ-CFHLNLSMSA-N 2 0 296.415 -0.179 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001497962950 920430378 /nfs/dbraw/zinc/43/03/78/920430378.db2.gz MLPVPKSWZUTIMY-GHMZBOCLSA-N 2 0 255.362 -0.443 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CCN1CCNC1=O ZINC001497992580 920433629 /nfs/dbraw/zinc/43/36/29/920433629.db2.gz FOFQROKBJXXDAO-GFCCVEGCSA-N 2 0 299.419 -0.554 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001498044275 920458376 /nfs/dbraw/zinc/45/83/76/920458376.db2.gz YIYVOEYARCXOAF-RYUDHWBXSA-N 2 0 297.403 -0.467 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001498044274 920460112 /nfs/dbraw/zinc/46/01/12/920460112.db2.gz YIYVOEYARCXOAF-NWDGAFQWSA-N 2 0 297.403 -0.467 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001498095800 920479393 /nfs/dbraw/zinc/47/93/93/920479393.db2.gz BNHVFOBHYOZTSM-NSHDSACASA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001498104582 920480729 /nfs/dbraw/zinc/48/07/29/920480729.db2.gz FVHKZRULMZYGRS-UWVGGRQHSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CCC[NH+]1CCCC1 ZINC001498197383 920515587 /nfs/dbraw/zinc/51/55/87/920515587.db2.gz MMGIYVWRMWTIII-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP CCC[NH+](C)CC(=O)N1CC(NC(=O)C[N@@H+](C)CCC)C1 ZINC001498327639 920551244 /nfs/dbraw/zinc/55/12/44/920551244.db2.gz OOXJGWKLBTZUDY-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CCNC(=O)C[NH2+]CCCN(C)C(=O)Cn1ccnc1 ZINC001498661390 920623506 /nfs/dbraw/zinc/62/35/06/920623506.db2.gz TZSIUSYNMGUUQP-UHFFFAOYSA-N 2 0 281.360 -0.543 20 0 CBADRP CN(CCCNCc1nnn(C)n1)C(=O)C[NH+]1CCCC1 ZINC001498656368 920623982 /nfs/dbraw/zinc/62/39/82/920623982.db2.gz ZFHYFBXCZHRIDB-UHFFFAOYSA-N 2 0 295.391 -0.756 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001498860611 920649087 /nfs/dbraw/zinc/64/90/87/920649087.db2.gz ALSWABZBUUSVJR-AAEUAGOBSA-N 2 0 269.389 -0.053 20 0 CBADRP CC[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001499448930 920747383 /nfs/dbraw/zinc/74/73/83/920747383.db2.gz XMAZICCKNPBRJD-GHMZBOCLSA-N 2 0 282.388 -0.560 20 0 CBADRP CC[C@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001499448932 920749399 /nfs/dbraw/zinc/74/93/99/920749399.db2.gz XMAZICCKNPBRJD-QWRGUYRKSA-N 2 0 282.388 -0.560 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001499420444 920749537 /nfs/dbraw/zinc/74/95/37/920749537.db2.gz FBRDEHYRYJZWEW-NEPJUHHUSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001499461075 920752191 /nfs/dbraw/zinc/75/21/91/920752191.db2.gz CSZYRZRGJODFNE-TXEJJXNPSA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@]2(CC[NH+](CC(N)=O)C2)C1 ZINC001499619339 920755118 /nfs/dbraw/zinc/75/51/18/920755118.db2.gz LDEPYNLRYTZESE-OAHLLOKOSA-N 2 0 296.415 -0.264 20 0 CBADRP CN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)C1=O ZINC001500258731 920823854 /nfs/dbraw/zinc/82/38/54/920823854.db2.gz WNRDUYPKVSGEGP-SWLSCSKDSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@]1(C[NH2+]CC(N)=O)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001500394948 920831823 /nfs/dbraw/zinc/83/18/23/920831823.db2.gz ZXEZIYKIVDAXAR-CQSZACIVSA-N 2 0 294.399 -0.604 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCCO)CCOCC2)C1 ZINC001500600632 920841797 /nfs/dbraw/zinc/84/17/97/920841797.db2.gz KTLXUERNBWWFQC-CYBMUJFWSA-N 2 0 299.415 -0.425 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001500721561 920868665 /nfs/dbraw/zinc/86/86/65/920868665.db2.gz AJVLGGVSEMMDAW-ZFWWWQNUSA-N 2 0 299.415 -0.472 20 0 CBADRP C[NH+]1CCC(CC(=O)NC[C@@]2(O)CC[N@H+](CCO)C2)CC1 ZINC001500735862 920870376 /nfs/dbraw/zinc/87/03/76/920870376.db2.gz ILLOPQXTDKWCHN-HNNXBMFYSA-N 2 0 299.415 -0.736 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001500765690 920878319 /nfs/dbraw/zinc/87/83/19/920878319.db2.gz FTDDMXFIJHSUHU-DZGCQCFKSA-N 2 0 299.415 -0.594 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001501051088 920941016 /nfs/dbraw/zinc/94/10/16/920941016.db2.gz RHAZTOSBRLUQJQ-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001501067935 920943921 /nfs/dbraw/zinc/94/39/21/920943921.db2.gz VEZDAWBVLXMYLM-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001501084377 920945178 /nfs/dbraw/zinc/94/51/78/920945178.db2.gz UTIZQMUUFGZJMA-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H](CC[NH2+]CCO)C1 ZINC001501612022 921045872 /nfs/dbraw/zinc/04/58/72/921045872.db2.gz OGWIQMPTOYNNGI-LBPRGKRZSA-N 2 0 257.378 -0.241 20 0 CBADRP CNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001501648374 921050712 /nfs/dbraw/zinc/05/07/12/921050712.db2.gz XZWGPVAEQBYISU-ZDUSSCGKSA-N 2 0 296.415 -0.344 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001507444951 921823258 /nfs/dbraw/zinc/82/32/58/921823258.db2.gz ZHNRYUCGOIKLLT-LBPRGKRZSA-N 2 0 298.431 -0.147 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001507419630 921823859 /nfs/dbraw/zinc/82/38/59/921823859.db2.gz WBANAHAGETUBRL-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP COCC[NH2+]C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001507489764 921849247 /nfs/dbraw/zinc/84/92/47/921849247.db2.gz GNDQQXJECPMBTG-ZDUSSCGKSA-N 2 0 299.415 -0.330 20 0 CBADRP CO[C@@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001507540625 921863393 /nfs/dbraw/zinc/86/33/93/921863393.db2.gz FWRDGKQZVOGPQI-QWHCGFSZSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H](C[NH2+][C@H]1CCNC1=O)C(C)(C)C ZINC001508016216 921903036 /nfs/dbraw/zinc/90/30/36/921903036.db2.gz OJZWYLDMHFYPOO-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H]([NH2+]C1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001508112157 921913228 /nfs/dbraw/zinc/91/32/28/921913228.db2.gz CICFYWDHURDMGJ-VOMCLLRMSA-N 2 0 296.415 -0.077 20 0 CBADRP CN(C(=O)CC[NH+](C)C)C1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001508136675 921917619 /nfs/dbraw/zinc/91/76/19/921917619.db2.gz ZVNHKOWRPRBDDL-HTAVTVPLSA-N 2 0 282.388 -0.594 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC001514598706 922209342 /nfs/dbraw/zinc/20/93/42/922209342.db2.gz ZZHJSEVXJHNUFC-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@H]([NH3+])CO)C[C@@H]2C1 ZINC001514681352 922212733 /nfs/dbraw/zinc/21/27/33/922212733.db2.gz OGDDVQWDGWQLCI-WRWGMCAJSA-N 2 0 255.362 -0.505 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@]23CCC[C@H]2C[NH2+]C3)nn1 ZINC001514707451 922212808 /nfs/dbraw/zinc/21/28/08/922212808.db2.gz KTRUQXRTTOULQX-CABZTGNLSA-N 2 0 264.333 -0.891 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@H]([NH3+])CO)C[C@H]2C1 ZINC001514681343 922213264 /nfs/dbraw/zinc/21/32/64/922213264.db2.gz OGDDVQWDGWQLCI-DDHJBXDOSA-N 2 0 255.362 -0.505 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001514838203 922221371 /nfs/dbraw/zinc/22/13/71/922221371.db2.gz HWXSZYYCIYKNKY-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001514838207 922222482 /nfs/dbraw/zinc/22/24/82/922222482.db2.gz HWXSZYYCIYKNKY-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N(C)CC1CC[NH2+]CC1 ZINC001515496099 922236006 /nfs/dbraw/zinc/23/60/06/922236006.db2.gz HOFLOTMUTPOFPY-CMPLNLGQSA-N 2 0 257.378 -0.339 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001515670705 922240570 /nfs/dbraw/zinc/24/05/70/922240570.db2.gz VBEXFSTWPDQMFJ-UTUOFQBUSA-N 2 0 257.378 -0.291 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C)C[NH+](C)C ZINC001520191653 922300464 /nfs/dbraw/zinc/30/04/64/922300464.db2.gz NMRKBDJNNXAMRH-AGIUHOORSA-N 2 0 268.405 -0.311 20 0 CBADRP C[C@@H]1[C@H](NC(=O)[C@H]2C[NH+]3CCN2C[C@H]3C)CC[N@@H+]1C ZINC001520694928 922317663 /nfs/dbraw/zinc/31/76/63/922317663.db2.gz LNVDCQCCKLVTMP-FDYHWXHSSA-N 2 0 266.389 -0.417 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001521159281 922335320 /nfs/dbraw/zinc/33/53/20/922335320.db2.gz ZPXNJQLIIONCTD-UTUOFQBUSA-N 2 0 254.378 -0.511 20 0 CBADRP [NH3+]CCNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC001521145108 922337334 /nfs/dbraw/zinc/33/73/34/922337334.db2.gz MPFYZZLMCFFJJP-UHFFFAOYSA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]C1(CNC(=O)[C@@H]2[NH2+]CC23CCOCC3)CCC1 ZINC001521195040 922338589 /nfs/dbraw/zinc/33/85/89/922338589.db2.gz OFCBUALTRVMETM-JTQLQIEISA-N 2 0 253.346 -0.247 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001521455734 922358175 /nfs/dbraw/zinc/35/81/75/922358175.db2.gz YWQXYKYTRJYKGK-YPMHNXCESA-N 2 0 257.378 -0.053 20 0 CBADRP [NH3+]Cc1ccc2nc(C(=O)NCC3C[NH2+]C3)cn2c1 ZINC001521508211 922361108 /nfs/dbraw/zinc/36/11/08/922361108.db2.gz QTELTPIIRSYKOQ-UHFFFAOYSA-N 2 0 259.313 -0.258 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001521496250 922362317 /nfs/dbraw/zinc/36/23/17/922362317.db2.gz RPSMPHBVLPYREN-OCCSQVGLSA-N 2 0 269.389 -0.051 20 0 CBADRP C[NH2+]CCN(C)C(=O)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC001521512789 922363800 /nfs/dbraw/zinc/36/38/00/922363800.db2.gz MGWCVEUCHNCONF-NSHDSACASA-N 2 0 258.366 -0.846 20 0 CBADRP [NH3+]CCCSCCC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001521519624 922366096 /nfs/dbraw/zinc/36/60/96/922366096.db2.gz RQTYZMSLUCFZOB-JTQLQIEISA-N 2 0 261.391 -0.355 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001521511794 922366531 /nfs/dbraw/zinc/36/65/31/922366531.db2.gz DACDYCGFSHCJQN-LBPRGKRZSA-N 2 0 266.389 -0.508 20 0 CBADRP CN(C(=O)C[C@@]1(O)CCC[NH2+]C1)[C@H](C[NH3+])C1CC1 ZINC001521691474 922372115 /nfs/dbraw/zinc/37/21/15/922372115.db2.gz PYKDMQFICZBREB-YPMHNXCESA-N 2 0 255.362 -0.313 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001521788661 922380161 /nfs/dbraw/zinc/38/01/61/922380161.db2.gz LZTXOICFTBZVHM-ZDUSSCGKSA-N 2 0 255.362 -0.393 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C ZINC001521899197 922385587 /nfs/dbraw/zinc/38/55/87/922385587.db2.gz UBDKJJJIAREGDI-XQQFMLRXSA-N 2 0 266.389 -0.415 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001521858435 922386471 /nfs/dbraw/zinc/38/64/71/922386471.db2.gz LTWYIZWYMKCMCK-NMKXLXIOSA-N 2 0 267.373 -0.001 20 0 CBADRP [NH3+]CC1(C(=O)N2CCC3(C[NH2+]C3)CC2)CC(O)C1 ZINC001521900420 922387615 /nfs/dbraw/zinc/38/76/15/922387615.db2.gz NJTMTDLRBJTSPM-UHFFFAOYSA-N 2 0 253.346 -0.702 20 0 CBADRP C[NH2+]CCOc1cccc(C(=O)NC[C@@H](O)C[NH3+])c1 ZINC001522027919 922394666 /nfs/dbraw/zinc/39/46/66/922394666.db2.gz HUILGDTVLAGAKC-NSHDSACASA-N 2 0 267.329 -0.666 20 0 CBADRP O=C(CCC1C[NH2+]C1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001522232704 922402516 /nfs/dbraw/zinc/40/25/16/922402516.db2.gz RQUKUIIHIYSDRC-LBPRGKRZSA-N 2 0 255.362 -0.441 20 0 CBADRP O=C(CCC1C[NH2+]C1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001522232702 922402580 /nfs/dbraw/zinc/40/25/80/922402580.db2.gz RQUKUIIHIYSDRC-GFCCVEGCSA-N 2 0 255.362 -0.441 20 0 CBADRP O=C([C@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CCC[C@H]([NH2+]CCO)C1 ZINC001522231674 922403079 /nfs/dbraw/zinc/40/30/79/922403079.db2.gz NDTBCKXAKMYOJG-RNJOBUHISA-N 2 0 267.373 -0.585 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)c1cccc2c1C[NH2+]C2 ZINC001522248514 922403439 /nfs/dbraw/zinc/40/34/39/922403439.db2.gz IUTKIHLONFQQPA-LLVKDONJSA-N 2 0 263.341 -0.058 20 0 CBADRP O=C([C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001522231644 922404622 /nfs/dbraw/zinc/40/46/22/922404622.db2.gz NDTBCKXAKMYOJG-FVCCEPFGSA-N 2 0 267.373 -0.585 20 0 CBADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001522311784 922406814 /nfs/dbraw/zinc/40/68/14/922406814.db2.gz NQDUBRCGQSBTMJ-OUJBWJOFSA-N 2 0 268.361 -0.255 20 0 CBADRP [NH3+]CCNCC(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC001522359530 922409374 /nfs/dbraw/zinc/40/93/74/922409374.db2.gz UIWYRZVECTZPFJ-LLVKDONJSA-N 2 0 262.357 -0.301 20 0 CBADRP O=C([C@H]1C[NH2+]CCC1(F)F)N1CC[NH2+]C[C@H]1CO ZINC001522419569 922413435 /nfs/dbraw/zinc/41/34/35/922413435.db2.gz YTJSYGKGKXJEFO-DTWKUNHWSA-N 2 0 263.288 -0.976 20 0 CBADRP [NH3+]C1(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001522564942 922468896 /nfs/dbraw/zinc/46/88/96/922468896.db2.gz WUICOKHIMJZWCU-JTQLQIEISA-N 2 0 253.346 -0.247 20 0 CBADRP CC1(C)CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@@H]1[NH3+] ZINC001522704500 922505158 /nfs/dbraw/zinc/50/51/58/922505158.db2.gz AXZLTZINYSUNFE-ZJUUUORDSA-N 2 0 268.361 -0.950 20 0 CBADRP CC1(C)CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@H]1[NH3+] ZINC001522704493 922506224 /nfs/dbraw/zinc/50/62/24/922506224.db2.gz AXZLTZINYSUNFE-NXEZZACHSA-N 2 0 268.361 -0.950 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C[C@]2(O)CCC[NH2+]C2)CC[N@@H+]1C ZINC001522857762 922539658 /nfs/dbraw/zinc/53/96/58/922539658.db2.gz NQURUGPCUTYLLR-NQBHXWOUSA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCNCC[NH2+]CC1 ZINC001522997325 922556525 /nfs/dbraw/zinc/55/65/25/922556525.db2.gz BMCAULAHUYGZOQ-STQMWFEESA-N 2 0 268.405 -0.119 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC001523010170 922558965 /nfs/dbraw/zinc/55/89/65/922558965.db2.gz NSAXPVNTBKVSSH-BLFANLJRSA-N 2 0 253.346 -0.846 20 0 CBADRP C[C@H]1CC[NH2+][C@H](C(=O)N2CCNCC[NH2+]CC2)C1 ZINC001523000583 922559667 /nfs/dbraw/zinc/55/96/67/922559667.db2.gz WHQSWXODARIGQR-RYUDHWBXSA-N 2 0 254.378 -0.604 20 0 CBADRP [NH3+][C@H]1CC[C@H](C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC001523010848 922560908 /nfs/dbraw/zinc/56/09/08/922560908.db2.gz XKXWOKUDPKPHQP-GVXVVHGQSA-N 2 0 255.362 -0.184 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)[C@@H]2[NH2+]CC23CCCC3)C1 ZINC001523011027 922561428 /nfs/dbraw/zinc/56/14/28/922561428.db2.gz YZLNXQVKDDQEBO-FZMZJTMJSA-N 2 0 267.373 -0.169 20 0 CBADRP CC[C@@]1(C(=O)N2CCC[C@@]([NH3+])(CO)C2)CCC[NH2+]1 ZINC001523010705 922561600 /nfs/dbraw/zinc/56/16/00/922561600.db2.gz WJFACILTLSJJIK-STQMWFEESA-N 2 0 255.362 -0.169 20 0 CBADRP CN1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC[N@H+](C)CC1 ZINC001523482606 922597214 /nfs/dbraw/zinc/59/72/14/922597214.db2.gz SCDJRAICODQGSU-HAQNSBGRSA-N 2 0 254.378 -0.571 20 0 CBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1[NH2+]CC12CCOCC2 ZINC001523513607 922598082 /nfs/dbraw/zinc/59/80/82/922598082.db2.gz CPXYQIIEQARJHD-KXNHARMFSA-N 2 0 265.357 -0.236 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[NH2+]CCO1 ZINC001523507951 922598392 /nfs/dbraw/zinc/59/83/92/922598392.db2.gz ONSPDQUBBLDXDI-XZUYRWCXSA-N 2 0 269.345 -1.000 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H](C[NH3+])C2)cn1 ZINC001523525478 922598702 /nfs/dbraw/zinc/59/87/02/922598702.db2.gz MKUGPSOSULQEAX-UMSPYCQHSA-N 2 0 265.361 -0.088 20 0 CBADRP [NH3+][C@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2)C12CCC2 ZINC001523604881 922600209 /nfs/dbraw/zinc/60/02/09/922600209.db2.gz AZPMQXUGLZYYED-QWRGUYRKSA-N 2 0 252.362 -0.722 20 0 CBADRP [NH3+][C@@H]1C[C@H](NC(=O)C[C@H]2C[NH2+]CCO2)C12CCC2 ZINC001523605990 922601004 /nfs/dbraw/zinc/60/10/04/922601004.db2.gz RBHSKUPAUMTDBF-AXFHLTTASA-N 2 0 253.346 -0.249 20 0 CBADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCN1C[C@@H]2C ZINC001527708788 922764989 /nfs/dbraw/zinc/76/49/89/922764989.db2.gz ZWMGRCRULAVZLI-QWHCGFSZSA-N 2 0 268.405 -0.169 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)CCNC(=O)C[NH+]1CCCC1 ZINC001528176020 922809655 /nfs/dbraw/zinc/80/96/55/922809655.db2.gz CLVCNBRRJSGPJG-UHFFFAOYSA-N 2 0 298.431 -0.001 20 0 CBADRP CN(CCNC(=O)C[NH+]1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001528176891 922813577 /nfs/dbraw/zinc/81/35/77/922813577.db2.gz ZUZKDJUCAIVZEL-ZDUSSCGKSA-N 2 0 296.415 -0.392 20 0 CBADRP CCN1CC[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001543383393 923290464 /nfs/dbraw/zinc/29/04/64/923290464.db2.gz KIDQNWHOWKKPDW-NWDGAFQWSA-N 2 0 254.378 -0.557 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1CCO2)C1CC1 ZINC001548547601 923371745 /nfs/dbraw/zinc/37/17/45/923371745.db2.gz IHEZQKJVZKGHMM-BZPMIXESSA-N 2 0 267.373 -0.179 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)[C@]23C[NH2+]C[C@H]2CCO3)C1 ZINC001548553341 923374804 /nfs/dbraw/zinc/37/48/04/923374804.db2.gz SIHFSRMLNGJFFB-SCRDCRAPSA-N 2 0 267.373 -0.177 20 0 CBADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CCO3)C1 ZINC001548549929 923377481 /nfs/dbraw/zinc/37/74/81/923377481.db2.gz CGMUWUNTBBXEOB-SCRDCRAPSA-N 2 0 267.373 -0.177 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001548557630 923378701 /nfs/dbraw/zinc/37/87/01/923378701.db2.gz XZIQUTDQEWZTFH-OUJBWJOFSA-N 2 0 284.335 -0.299 20 0 CBADRP C[C@@]1(CNC(=O)[C@]23C[NH2+]C[C@H]2CCO3)CCC[NH2+]C1 ZINC001548555755 923379069 /nfs/dbraw/zinc/37/90/69/923379069.db2.gz UKISKNHHELVMJM-BNOWGMLFSA-N 2 0 267.373 -0.129 20 0 CBADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548557435 923379173 /nfs/dbraw/zinc/37/91/73/923379173.db2.gz VOZYNIKAMHKSEY-YWVKMMECSA-N 2 0 275.299 -0.522 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCNC[C@@H]1C(F)F ZINC001548557591 923379862 /nfs/dbraw/zinc/37/98/62/923379862.db2.gz XNHBRWAFLXZRFY-BXKDBHETSA-N 2 0 277.315 -0.444 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCO3)C1 ZINC001548557332 923380171 /nfs/dbraw/zinc/38/01/71/923380171.db2.gz KQWJYNSTOFAFDI-DCQANWLSSA-N 2 0 253.346 -0.249 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC001548554724 923380455 /nfs/dbraw/zinc/38/04/55/923380455.db2.gz JQISHXGXWYGWKV-NEPJUHHUSA-N 2 0 252.362 -0.757 20 0 CBADRP COc1ccccc1[C@H]1CNCCN1C(=O)C[C@@H](O)C[NH3+] ZINC001548557633 923380792 /nfs/dbraw/zinc/38/07/92/923380792.db2.gz JEPYSZAGTSKVDC-DGCLKSJQSA-N 2 0 293.367 -0.122 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC001548558259 923384081 /nfs/dbraw/zinc/38/40/81/923384081.db2.gz OCQIKHKMJRTMKQ-NWDGAFQWSA-N 2 0 268.405 -0.216 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NCC[C@H]1CSCC[NH2+]1 ZINC001548565557 923389076 /nfs/dbraw/zinc/38/90/76/923389076.db2.gz NYXYLKOHPWOWOH-NSHDSACASA-N 2 0 272.418 -0.897 20 0 CBADRP [NH3+]CCc1nc(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)cs1 ZINC001548570807 923393374 /nfs/dbraw/zinc/39/33/74/923393374.db2.gz XYPAHVQJBAGHEU-QMMMGPOBSA-N 2 0 282.369 -0.495 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001548570204 923393656 /nfs/dbraw/zinc/39/36/56/923393656.db2.gz UNCPAQQZGKVPRI-KBPBESRZSA-N 2 0 287.363 -0.052 20 0 CBADRP [NH3+][C@H](Cc1ccccc1)C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001548570188 923394941 /nfs/dbraw/zinc/39/49/41/923394941.db2.gz TYMWCPJOJHJOMF-CHWSQXEVSA-N 2 0 275.352 -0.197 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC001548573496 923396028 /nfs/dbraw/zinc/39/60/28/923396028.db2.gz NABMAENNLDKMGH-GUTXKFCHSA-N 2 0 275.352 -0.633 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC001548573497 923397238 /nfs/dbraw/zinc/39/72/38/923397238.db2.gz NABMAENNLDKMGH-GZBFAFLISA-N 2 0 275.352 -0.633 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C[C@]1(O)CCC[NH2+]C1)C2 ZINC001548575099 923399322 /nfs/dbraw/zinc/39/93/22/923399322.db2.gz WLYPUGKLNQZBFL-QLFBSQMISA-N 2 0 281.400 -0.051 20 0 CBADRP CC1(C)CN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC2(C[NH2+]C2)O1 ZINC001548575837 923399874 /nfs/dbraw/zinc/39/98/74/923399874.db2.gz JKMZXEIOZYBREV-WDEREUQCSA-N 2 0 283.372 -0.670 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548575659 923400260 /nfs/dbraw/zinc/40/02/60/923400260.db2.gz HIMRGHBMDWYNFP-LLVKDONJSA-N 2 0 284.404 -0.755 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C1=NO[C@@]3(C1)CCC[NH2+]C3)C2 ZINC001548581461 923402936 /nfs/dbraw/zinc/40/29/36/923402936.db2.gz JJDPGSVSEDUXGX-NILFDRSVSA-N 2 0 292.383 -0.047 20 0 CBADRP C[C@@H](C(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1)[C@H](C)[NH3+] ZINC001548578507 923403048 /nfs/dbraw/zinc/40/30/48/923403048.db2.gz MXDZDPHXFCRDMF-ZJUUUORDSA-N 2 0 255.362 -0.051 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCO3)CC1 ZINC001548577318 923404401 /nfs/dbraw/zinc/40/44/01/923404401.db2.gz MVFBOGJNPNKQMD-BYNQJWBRSA-N 2 0 267.373 -0.001 20 0 CBADRP CC1(C)CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1[NH3+] ZINC001548585955 923405889 /nfs/dbraw/zinc/40/58/89/923405889.db2.gz QDOZOJSBYFCHEE-WDEREUQCSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1=O ZINC001548583907 923406583 /nfs/dbraw/zinc/40/65/83/923406583.db2.gz FOGPWKRDCDHRIT-VXGBXAGGSA-N 2 0 296.415 -0.408 20 0 CBADRP CC1(C)CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1[NH3+] ZINC001548585953 923408035 /nfs/dbraw/zinc/40/80/35/923408035.db2.gz QDOZOJSBYFCHEE-QWRGUYRKSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH+]1CCCCC1 ZINC001548625879 923409651 /nfs/dbraw/zinc/40/96/51/923409651.db2.gz RJDUICWMPUWRFQ-UONOGXRCSA-N 2 0 280.416 -0.023 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC001548630672 923414733 /nfs/dbraw/zinc/41/47/33/923414733.db2.gz JZEVPQCFOVIBFF-VNHYZAJKSA-N 2 0 292.427 -0.025 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC001548643103 923422397 /nfs/dbraw/zinc/42/23/97/923422397.db2.gz AJYJOODQNXZRFI-SNPRPXQTSA-N 2 0 292.427 -0.025 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC[C@H]1C[NH+](C)C ZINC001548638127 923423647 /nfs/dbraw/zinc/42/36/47/923423647.db2.gz IASUYXWSIFTDNQ-RDBSUJKOSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001548645009 923427848 /nfs/dbraw/zinc/42/78/48/923427848.db2.gz WXZLFTWFTXQPKL-GXTWGEPZSA-N 2 0 280.416 -0.073 20 0 CBADRP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001548653218 923433443 /nfs/dbraw/zinc/43/34/43/923433443.db2.gz BWIHLKJXONHWLV-AAVRWANBSA-N 2 0 280.416 -0.026 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[NH+]2CCN1C[C@H]2C ZINC001548667433 923436391 /nfs/dbraw/zinc/43/63/91/923436391.db2.gz WBJLBEOHBVAIDB-UXOAXIEHSA-N 2 0 292.427 -0.026 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001548707941 923465892 /nfs/dbraw/zinc/46/58/92/923465892.db2.gz FXRDHICNIMGBBZ-IJEWVQPXSA-N 2 0 292.427 -0.071 20 0 CBADRP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001548711716 923470421 /nfs/dbraw/zinc/47/04/21/923470421.db2.gz VFCGPVPZHXYTBV-ZOBORPQBSA-N 2 0 280.416 -0.074 20 0 CBADRP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001548711711 923472315 /nfs/dbraw/zinc/47/23/15/923472315.db2.gz VFCGPVPZHXYTBV-XJFOESAGSA-N 2 0 280.416 -0.074 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1CCn2cncc2C1 ZINC001548723973 923475395 /nfs/dbraw/zinc/47/53/95/923475395.db2.gz FLPZZPFMSOMQSJ-MBNYWOFBSA-N 2 0 289.383 -0.298 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC001548749661 923494430 /nfs/dbraw/zinc/49/44/30/923494430.db2.gz CSCBZSVSAFCDKS-HIFRSBDPSA-N 2 0 297.399 -0.768 20 0 CBADRP CC(=O)N1CC[C@]([NH3+])(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC001548939603 923515573 /nfs/dbraw/zinc/51/55/73/923515573.db2.gz VPDQOLFITVACQR-UONOGXRCSA-N 2 0 280.372 -0.709 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)CC3(C[NH3+])CC3)C[C@@H]2[NH3+])cn1 ZINC001548945427 923516228 /nfs/dbraw/zinc/51/62/28/923516228.db2.gz PLORYNJCVCKUTA-NEPJUHHUSA-N 2 0 277.372 -0.198 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3[NH3+])C2)nn1 ZINC001549031967 923527820 /nfs/dbraw/zinc/52/78/20/923527820.db2.gz DXXVRCNENBEMJX-OUAUKWLOSA-N 2 0 264.333 -0.753 20 0 CBADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001549044058 923531322 /nfs/dbraw/zinc/53/13/22/923531322.db2.gz XAKATJFBLAUGBG-UONOGXRCSA-N 3 0 280.416 -0.260 20 0 CBADRP O=C(CC[C@@H]1CC[NH2+]C1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549045034 923533651 /nfs/dbraw/zinc/53/36/51/923533651.db2.gz RBMBNDAMHDKQJG-UPJWGTAASA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1)C1CCOCC1 ZINC001549044975 923535907 /nfs/dbraw/zinc/53/59/07/923535907.db2.gz MLXLODYYEADVNP-AGIUHOORSA-N 2 0 283.372 -0.670 20 0 CBADRP O=C(CC[C@@H]1CC[NH2+]C1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549045032 923536819 /nfs/dbraw/zinc/53/68/19/923536819.db2.gz RBMBNDAMHDKQJG-FRRDWIJNSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]CCc1nc(C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)cs1 ZINC001549045152 923536845 /nfs/dbraw/zinc/53/68/45/923536845.db2.gz YSFFKVDLJPNTNR-ONGXEEELSA-N 2 0 296.396 -0.153 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549045762 923538484 /nfs/dbraw/zinc/53/84/84/923538484.db2.gz ISQXWYLCUQVCEH-ZJUUUORDSA-N 2 0 276.331 -0.525 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4C[C@@H]4[NH2+]3)C2)nn1 ZINC001549046908 923542031 /nfs/dbraw/zinc/54/20/31/923542031.db2.gz CRPFOMAPVAFDMN-RYDUCSDGSA-N 2 0 290.371 -0.349 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@@]3(F)CC[NH2+]C3)C2)nn1 ZINC001549046921 923542244 /nfs/dbraw/zinc/54/22/44/923542244.db2.gz CZAUTBFVFMSADS-WCQYABFASA-N 2 0 296.350 -0.398 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC001549046770 923542306 /nfs/dbraw/zinc/54/23/06/923542306.db2.gz DVUCWRFPUUBXDC-RWMBFGLXSA-N 2 0 281.400 -0.054 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001549046891 923543249 /nfs/dbraw/zinc/54/32/49/923543249.db2.gz BUZKIEMSSGTBCK-NWDGAFQWSA-N 2 0 280.376 -0.116 20 0 CBADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC001549047298 923543817 /nfs/dbraw/zinc/54/38/17/923543817.db2.gz NVTOUSIBJHEFQV-RFQIPJPRSA-N 2 0 297.399 -0.546 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)C[NH2+]C3CC3)C2)nn1 ZINC001549047552 923544711 /nfs/dbraw/zinc/54/47/11/923544711.db2.gz RKILAACMQGXPCE-LBPRGKRZSA-N 2 0 278.360 -0.348 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)CCC[NH3+])C[C@@H]2[NH3+])cn1 ZINC001549048002 923546263 /nfs/dbraw/zinc/54/62/63/923546263.db2.gz BFYLQJRORQWMJT-QWRGUYRKSA-N 2 0 251.334 -0.588 20 0 CBADRP Cn1cc([C@H]2CN(C(=O)C(C)(C)[NH3+])C[C@@H]2[NH3+])cn1 ZINC001549048056 923547334 /nfs/dbraw/zinc/54/73/34/923547334.db2.gz HTYVPZZUIPZCLL-ZJUUUORDSA-N 2 0 251.334 -0.590 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[NH2+]C3)C[C@@H]2[NH3+])cn1 ZINC001549049000 923547410 /nfs/dbraw/zinc/54/74/10/923547410.db2.gz ZVELHVQQDWWGQN-USWWRNFRSA-N 2 0 263.345 -0.717 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549049014 923547928 /nfs/dbraw/zinc/54/79/28/923547928.db2.gz ALLHXCCQLFRDNO-QJPTWQEYSA-N 2 0 281.360 -0.963 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[NH2+]3)C[C@@H]2[NH3+])cn1 ZINC001549048011 923548229 /nfs/dbraw/zinc/54/82/29/923548229.db2.gz BVIBUUWMVXUFHI-SDDRHHMPSA-N 2 0 263.345 -0.575 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001549052087 923548976 /nfs/dbraw/zinc/54/89/76/923548976.db2.gz VUAOFMMCDNDQEX-XYJRDEOASA-N 2 0 277.372 -0.329 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549050473 923549400 /nfs/dbraw/zinc/54/94/00/923549400.db2.gz NEGCYYCIJDUEAA-WCQGTBRESA-N 2 0 265.361 -0.199 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)C[C@H]2[NH3+])cn1 ZINC001549050946 923549809 /nfs/dbraw/zinc/54/98/09/923549809.db2.gz QUUXQHWDRGJVLR-FOUMNBMASA-N 2 0 277.372 -0.199 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)C[C@H]([NH3+])C3CC3)C[C@H]2[NH3+])cn1 ZINC001549049704 923550133 /nfs/dbraw/zinc/55/01/33/923550133.db2.gz GSXKRJGKBUQKSL-RWMBFGLXSA-N 2 0 277.372 -0.199 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549050802 923550988 /nfs/dbraw/zinc/55/09/88/923550988.db2.gz NXXLNHXQOFZMIU-XPXLGCRWSA-N 2 0 265.361 -0.344 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001549050423 923550977 /nfs/dbraw/zinc/55/09/77/923550977.db2.gz MZXDDQLWPDSGFA-MIMYLULJSA-N 2 0 251.334 -0.732 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC001549074852 923553027 /nfs/dbraw/zinc/55/30/27/923553027.db2.gz GEUIPKQLNBOKHV-ZDUSSCGKSA-N 2 0 284.404 -0.800 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC001549114836 923557418 /nfs/dbraw/zinc/55/74/18/923557418.db2.gz BYXMLPZBSQEZTE-HIFRSBDPSA-N 3 0 280.416 -0.131 20 0 CBADRP [NH3+]C[C@@]12CCC[C@@H]1C[N@H+](CCN1CC[NH2+]CC1)C2 ZINC001549117099 923558557 /nfs/dbraw/zinc/55/85/57/923558557.db2.gz PZQILGWXMNKDEG-ZIAGYGMSSA-N 3 0 252.406 -0.048 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@@H]2C(F)(F)F)CCCO1 ZINC001549125017 923559828 /nfs/dbraw/zinc/55/98/28/923559828.db2.gz YWVWIHFTZWNIRU-BBBLOLIVSA-N 2 0 295.305 -0.040 20 0 CBADRP C[C@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)C[C@H](C)[NH+]1CCO ZINC001549211985 923570202 /nfs/dbraw/zinc/57/02/02/923570202.db2.gz OBCWDYRFTAGKJY-YKQCJFHZSA-N 2 0 296.415 -0.165 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001549212741 923571265 /nfs/dbraw/zinc/57/12/65/923571265.db2.gz QBSHJRPAVOJGBR-QRVCZOOMSA-N 2 0 250.346 -0.401 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@H]1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC001549291471 923579855 /nfs/dbraw/zinc/57/98/55/923579855.db2.gz GMVRMKKRMVGXOR-DMDPSCGWSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C3(O)C[NH2+]C3)CC2)C1 ZINC001549291859 923580522 /nfs/dbraw/zinc/58/05/22/923580522.db2.gz LTNWLCXFKHZMLM-NEPJUHHUSA-N 2 0 283.372 -0.934 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C[C@@H]1F)NC[C@@H]1C[NH2+]CCCO1 ZINC001549291629 923580743 /nfs/dbraw/zinc/58/07/43/923580743.db2.gz HBKRHCVBUYKINV-SRVKXCTJSA-N 2 0 273.352 -0.181 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)C3(O)C[NH2+]C3)CC2)C1 ZINC001549291866 923581456 /nfs/dbraw/zinc/58/14/56/923581456.db2.gz LTNWLCXFKHZMLM-VXGBXAGGSA-N 2 0 283.372 -0.934 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[C@H]3[NH3+])C[C@@H]2[NH3+])cn1 ZINC001549291711 923581892 /nfs/dbraw/zinc/58/18/92/923581892.db2.gz DJANHWSURPTRPC-XQHKEYJVSA-N 2 0 277.372 -0.199 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)C3(O)C[NH2+]C3)C2)C1 ZINC001549291848 923582226 /nfs/dbraw/zinc/58/22/26/923582226.db2.gz DRXYMXAHQPLVOT-QJPTWQEYSA-N 2 0 283.372 -0.934 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001549298243 923583911 /nfs/dbraw/zinc/58/39/11/923583911.db2.gz FHGXMTGGEJQGHB-UHFFFAOYSA-N 2 0 290.371 -0.234 20 0 CBADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC001549295120 923584817 /nfs/dbraw/zinc/58/48/17/923584817.db2.gz FCAQHQUVJULAHZ-FVCCEPFGSA-N 2 0 267.373 -0.158 20 0 CBADRP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001549295462 923584905 /nfs/dbraw/zinc/58/49/05/923584905.db2.gz QPRIIUXCFVCZQZ-MJBXVCDLSA-N 2 0 281.400 -0.053 20 0 CBADRP [NH3+][C@H]1CN(C(=O)C2(O)C[NH2+]C2)C[C@@H]1c1ccc(F)cc1 ZINC001549294023 923585144 /nfs/dbraw/zinc/58/51/44/923585144.db2.gz OQDGRYPCJILZMH-NEPJUHHUSA-N 2 0 279.315 -0.587 20 0 CBADRP CO[C@H]1C[C@H](C[NH+]2CCCC2)N(c2nc(N)[nH+]c(N)n2)C1 ZINC001549552049 923601392 /nfs/dbraw/zinc/60/13/92/923601392.db2.gz WUGWUTPTTMGBAU-ZJUUUORDSA-N 2 0 293.375 -0.275 20 0 CBADRP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(c2nc(N)[nH+]c(N)n2)C1 ZINC001549552047 923601640 /nfs/dbraw/zinc/60/16/40/923601640.db2.gz WUGWUTPTTMGBAU-VHSXEESVSA-N 2 0 293.375 -0.275 20 0 CBADRP C[NH2+]CC(=O)NCc1cccc(N2CC[C@H]([NH3+])C2)n1 ZINC001549726827 923629044 /nfs/dbraw/zinc/62/90/44/923629044.db2.gz JWLIALGOPKDHKS-JTQLQIEISA-N 2 0 263.345 -0.545 20 0 CBADRP [NH3+][C@H]1CCN(c2cccc(CNC(=O)C3([NH3+])CC3)n2)C1 ZINC001549725557 923629390 /nfs/dbraw/zinc/62/93/90/923629390.db2.gz ARIMHCBVTQUCMY-JTQLQIEISA-N 2 0 275.356 -0.274 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCc1ccncc1O[C@H]1CC[NH2+]C1 ZINC001549720455 923629556 /nfs/dbraw/zinc/62/95/56/923629556.db2.gz DLZJOHRTTBVIFP-SDDRHHMPSA-N 2 0 276.340 -0.214 20 0 CBADRP C[C@@H]([NH3+])CC(=O)NCc1cccc(N2CC[C@@H]([NH3+])C2)n1 ZINC001549726406 923630646 /nfs/dbraw/zinc/63/06/46/923630646.db2.gz JRTJZRFWGFKNJA-GHMZBOCLSA-N 2 0 277.372 -0.028 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NCc1cccc(N2CC[C@H]([NH3+])C2)n1 ZINC001549724775 923630802 /nfs/dbraw/zinc/63/08/02/923630802.db2.gz FLUNITGSOQIAAR-QWRGUYRKSA-N 2 0 277.372 -0.170 20 0 CBADRP [NH3+]CCC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549728903 923632372 /nfs/dbraw/zinc/63/23/72/923632372.db2.gz SVQCCDYHLAUBFS-ZWNOBZJWSA-N 2 0 268.361 -0.902 20 0 CBADRP CC(C)([NH3+])CC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549729104 923632814 /nfs/dbraw/zinc/63/28/14/923632814.db2.gz ZOXUBYQMHRQLRQ-FZMZJTMJSA-N 2 0 296.415 -0.123 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)Nc1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001549732917 923633289 /nfs/dbraw/zinc/63/32/89/923633289.db2.gz XCXFSBNSWAMTCL-ZJUUUORDSA-N 2 0 279.344 -0.196 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549730382 923633593 /nfs/dbraw/zinc/63/35/93/923633593.db2.gz IUDIJGWZJXERBM-WBIUFABUSA-N 2 0 296.415 -0.123 20 0 CBADRP [NH3+]C1(C(=O)NCc2ccncc2O[C@@H]2CC[NH2+]C2)CC1 ZINC001549729165 923633664 /nfs/dbraw/zinc/63/36/64/923633664.db2.gz OSTOLWAQPRSYNA-LLVKDONJSA-N 2 0 276.340 -0.070 20 0 CBADRP O=C(Nc1c[nH]nc1[C@@H]1CC[NH2+]C1)[C@H]1C[NH2+]CCOC1 ZINC001549733079 923633766 /nfs/dbraw/zinc/63/37/66/923633766.db2.gz COCYMBUNZMXTEM-ZJUUUORDSA-N 2 0 279.344 -0.339 20 0 CBADRP Cn1cnc([C@H]2CN(C(=O)C(C)(C)C[NH3+])C[C@@H]2[NH3+])c1 ZINC001549736795 923634957 /nfs/dbraw/zinc/63/49/57/923634957.db2.gz WQSHRROCMNVQGB-UWVGGRQHSA-N 2 0 265.361 -0.342 20 0 CBADRP CC[NH2+]CC(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549736231 923635118 /nfs/dbraw/zinc/63/51/18/923635118.db2.gz RBNDYMGFPIDUND-UWVGGRQHSA-N 2 0 251.334 -0.717 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1 ZINC001549735887 923636161 /nfs/dbraw/zinc/63/61/61/923636161.db2.gz MMKZMLUVARYTMN-MXWKQRLJSA-N 2 0 265.361 -0.329 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)C[C@@H]([NH3+])C3CC3)C[C@H]2[NH3+])c1 ZINC001549738128 923636209 /nfs/dbraw/zinc/63/62/09/923636209.db2.gz JYBDMKKQFTWEPQ-IJLUTSLNSA-N 2 0 277.372 -0.199 20 0 CBADRP Cn1cnc([C@H]2CN(C(=O)C(C)(C)[NH3+])C[C@@H]2[NH3+])c1 ZINC001549735585 923636408 /nfs/dbraw/zinc/63/64/08/923636408.db2.gz MAKAXWDYCAFCDN-IUCAKERBSA-N 2 0 251.334 -0.590 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C(=O)Nc2c[nH]nc2[C@H]2CC[NH2+]C2)O1 ZINC001549737128 923636530 /nfs/dbraw/zinc/63/65/30/923636530.db2.gz OGYAKHWVDOZKPC-WCABBAIRSA-N 2 0 279.344 -0.198 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549740940 923638210 /nfs/dbraw/zinc/63/82/10/923638210.db2.gz SFHXCYQEYXYVPW-SBFPOUOMSA-N 2 0 280.372 -0.903 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@]34C[C@@H]3C[C@@H]([NH3+])C4)C[C@H]2[NH3+])c1 ZINC001549739434 923639255 /nfs/dbraw/zinc/63/92/55/923639255.db2.gz UGCUJGLMUWYYMN-SVALRNSISA-N 2 0 289.383 -0.199 20 0 CBADRP Cn1cnc([C@H]2CN(C(=O)CC3(C[NH3+])CC3)C[C@@H]2[NH3+])c1 ZINC001549744694 923639710 /nfs/dbraw/zinc/63/97/10/923639710.db2.gz WNFGVNUDAFISDI-QWRGUYRKSA-N 2 0 277.372 -0.198 20 0 CBADRP [NH3+]C[C@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)C1CCOCC1 ZINC001549751414 923643045 /nfs/dbraw/zinc/64/30/45/923643045.db2.gz VZNNYYOFRRDDNU-STQMWFEESA-N 2 0 285.388 -0.517 20 0 CBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC001549900175 923644645 /nfs/dbraw/zinc/64/46/45/923644645.db2.gz WUZRPCJEHMRQST-DCAQKATOSA-N 2 0 255.362 -0.396 20 0 CBADRP C[C@]12C[NH2+]C[C@]1(C)CN(C(=O)[C@]13C[NH2+]C[C@@H]1COC3)C2 ZINC001549898987 923645255 /nfs/dbraw/zinc/64/52/55/923645255.db2.gz GUZKIKYIIQEIJW-NGFQHRJXSA-N 2 0 279.384 -0.320 20 0 CBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC001549900176 923645652 /nfs/dbraw/zinc/64/56/52/923645652.db2.gz WUZRPCJEHMRQST-GARJFASQSA-N 2 0 255.362 -0.396 20 0 CBADRP CC1(C)CC[NH2+]CCN1C(=O)[C@H]1OCC[C@H]1C[NH3+] ZINC001549902192 923648200 /nfs/dbraw/zinc/64/82/00/923648200.db2.gz YZBOOKIVPBZIJD-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001550059192 923657501 /nfs/dbraw/zinc/65/75/01/923657501.db2.gz BVOOZPHXXPIMPV-NOOOWODRSA-N 2 0 271.336 -0.477 20 0 CBADRP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001550059196 923659588 /nfs/dbraw/zinc/65/95/88/923659588.db2.gz BVOOZPHXXPIMPV-WRWGMCAJSA-N 2 0 271.336 -0.477 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@H]1C(=O)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550081531 923668931 /nfs/dbraw/zinc/66/89/31/923668931.db2.gz QBXLAJDFWPOLKE-SDDRHHMPSA-N 2 0 267.373 -0.144 20 0 CBADRP COC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC001550078625 923670067 /nfs/dbraw/zinc/67/00/67/923670067.db2.gz YLFOYGHVLPOFJT-AGIUHOORSA-N 2 0 263.341 -0.168 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](C(=O)NC[C@H]2CC23CC[NH2+]CC3)O1 ZINC001550083256 923670236 /nfs/dbraw/zinc/67/02/36/923670236.db2.gz YZAJGIBVAPTWLW-UTUOFQBUSA-N 2 0 267.373 -0.131 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]2CC23CC[NH2+]CC3)C[NH2+]CCO1 ZINC001550079889 923670375 /nfs/dbraw/zinc/67/03/75/923670375.db2.gz GCUCQDGPBOVYGO-DOMZBBRYSA-N 2 0 297.399 -0.503 20 0 CBADRP CC[NH2+]CC(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550088298 923671890 /nfs/dbraw/zinc/67/18/90/923671890.db2.gz LSNIAONQRMJWNE-JTQLQIEISA-N 2 0 252.322 -0.962 20 0 CBADRP C[NH+](C)CC1(C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC001550088155 923672636 /nfs/dbraw/zinc/67/26/36/923672636.db2.gz NITGVSKSSXBXCX-GFCCVEGCSA-N 2 0 292.387 -0.230 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550089952 923674491 /nfs/dbraw/zinc/67/44/91/923674491.db2.gz YHPTYXDZWIRCHH-NEPJUHHUSA-N 2 0 267.373 -0.129 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550089896 923674615 /nfs/dbraw/zinc/67/46/15/923674615.db2.gz WYPPHJZMDZLHNW-QWRGUYRKSA-N 2 0 255.362 -0.144 20 0 CBADRP [NH3+]C1(C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)CCCC1 ZINC001550088528 923674903 /nfs/dbraw/zinc/67/49/03/923674903.db2.gz RIBBIQDVPVJDNZ-LLVKDONJSA-N 2 0 278.360 -0.300 20 0 CBADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@H]1CCCC[NH2+]1 ZINC001550088600 923675456 /nfs/dbraw/zinc/67/54/56/923675456.db2.gz UTPKIKIQMINJOT-NWDGAFQWSA-N 2 0 278.360 -0.429 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550089897 923675649 /nfs/dbraw/zinc/67/56/49/923675649.db2.gz WYPPHJZMDZLHNW-WDEREUQCSA-N 2 0 255.362 -0.144 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](n3cc(C[NH3+])nn3)C2)CC[N@@H+]1C ZINC001550096571 923677692 /nfs/dbraw/zinc/67/76/92/923677692.db2.gz LISYPGKNFMCJFW-KGYLQXTDSA-N 2 0 292.387 -0.150 20 0 CBADRP C[C@@H](C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1)[NH+](C)C ZINC001550096224 923678422 /nfs/dbraw/zinc/67/84/22/923678422.db2.gz ZOKXYHFYIGNNIQ-ONGXEEELSA-N 2 0 266.349 -0.540 20 0 CBADRP C[C@H](C[NH3+])C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001550092832 923678451 /nfs/dbraw/zinc/67/84/51/923678451.db2.gz OOQWGXGSWJWKBF-PWSUYJOCSA-N 2 0 282.388 -0.608 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001550094590 923678496 /nfs/dbraw/zinc/67/84/96/923678496.db2.gz RZZKCIXXPLRJIL-LBPRGKRZSA-N 2 0 280.376 -0.150 20 0 CBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[NH3+])CC2)C1=O ZINC001550092850 923679480 /nfs/dbraw/zinc/67/94/80/923679480.db2.gz PKTRLSKYABXFLW-UTUOFQBUSA-N 2 0 280.372 -0.855 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001550096296 923680164 /nfs/dbraw/zinc/68/01/64/923680164.db2.gz JNJLNFSIAFXLIQ-AVGNSLFASA-N 2 0 292.387 -0.102 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCC[NH2+]C3)C2)nn1 ZINC001550097490 923682065 /nfs/dbraw/zinc/68/20/65/923682065.db2.gz OURBWANQRJYTBH-JQWIXIFHSA-N 2 0 278.360 -0.490 20 0 CBADRP O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001550104822 923683264 /nfs/dbraw/zinc/68/32/64/923683264.db2.gz BHMRWNLIPVNYSP-YAXHFPQCSA-N 2 0 253.346 -0.644 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550112663 923686019 /nfs/dbraw/zinc/68/60/19/923686019.db2.gz RBALBIZYDPRGAM-XQQFMLRXSA-N 2 0 297.399 -0.375 20 0 CBADRP [NH3+][C@H]1CCO[C@@H]1C(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550106918 923686532 /nfs/dbraw/zinc/68/65/32/923686532.db2.gz ZPXYASIUDZXCNY-YAXHFPQCSA-N 2 0 253.346 -0.251 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550112725 923687081 /nfs/dbraw/zinc/68/70/81/923687081.db2.gz WLLSTDIMNWVHKL-XQQFMLRXSA-N 2 0 297.399 -0.375 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550112461 923687329 /nfs/dbraw/zinc/68/73/29/923687329.db2.gz HYRXNTKXFKPHTO-TUAOUCFPSA-N 2 0 283.372 -0.623 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)O1 ZINC001550112404 923687434 /nfs/dbraw/zinc/68/74/34/923687434.db2.gz BFXSKOZMAQQUJC-AGIUHOORSA-N 2 0 297.399 -0.362 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@@]34CC[NH2+]C4)C2)CC1 ZINC001550117102 923689116 /nfs/dbraw/zinc/68/91/16/923689116.db2.gz UZFLPTXNJQRROJ-IJEWVQPXSA-N 2 0 292.427 -0.166 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)C3CC([NH3+])C3)C2)CC1 ZINC001550117126 923689155 /nfs/dbraw/zinc/68/91/55/923689155.db2.gz VYSIFKQVSUNYAF-BPCQOVAHSA-N 2 0 266.389 -0.428 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)CC3(C[NH3+])CC3)C2)CC1 ZINC001550116995 923690598 /nfs/dbraw/zinc/69/05/98/923690598.db2.gz SVCHHKSNMWRHBL-CYBMUJFWSA-N 2 0 280.416 -0.036 20 0 CBADRP C[C@@H](C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1)[C@H](C)[NH3+] ZINC001550116727 923690696 /nfs/dbraw/zinc/69/06/96/923690696.db2.gz RDFKILCSQNJPMO-FRRDWIJNSA-N 2 0 268.405 -0.182 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NC23CC(C[NH3+])(C2)C3)C1 ZINC001550118499 923691307 /nfs/dbraw/zinc/69/13/07/923691307.db2.gz ZPHWRJUKTYLUSX-ZHVTWMSWSA-N 2 0 253.346 -0.249 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550117319 923691716 /nfs/dbraw/zinc/69/17/16/923691716.db2.gz YIIZUWNBLCEZMM-GXTWGEPZSA-N 2 0 280.416 -0.025 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550116726 923692245 /nfs/dbraw/zinc/69/22/45/923692245.db2.gz RDFKILCSQNJPMO-AVGNSLFASA-N 2 0 268.405 -0.182 20 0 CBADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cn(CCC[NH3+])nn1 ZINC001550122408 923695035 /nfs/dbraw/zinc/69/50/35/923695035.db2.gz GHHINTHBZNZVKA-CHWSQXEVSA-N 2 0 292.387 -0.064 20 0 CBADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001550121845 923696712 /nfs/dbraw/zinc/69/67/12/923696712.db2.gz BDWAESAISJMJGY-YNEHKIRRSA-N 2 0 294.399 -0.450 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC001550184540 923707569 /nfs/dbraw/zinc/70/75/69/923707569.db2.gz FBMGILUVHZCIFI-FDYHWXHSSA-N 2 0 285.388 -0.153 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC3(C)C)C[C@@H]2[NH3+])cn1 ZINC001550188146 923707786 /nfs/dbraw/zinc/70/77/86/923707786.db2.gz TZBSGWOZTPOQBJ-AVGNSLFASA-N 2 0 291.399 -0.081 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC001550184545 923708314 /nfs/dbraw/zinc/70/83/14/923708314.db2.gz FBMGILUVHZCIFI-UMSGYPCISA-N 2 0 285.388 -0.153 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]([NH3+])CC3CC3)C[C@H]2[NH3+])c1 ZINC001550196629 923709582 /nfs/dbraw/zinc/70/95/82/923709582.db2.gz YDFDGVREBFGLQL-IJLUTSLNSA-N 2 0 277.372 -0.199 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CCC12CCC2 ZINC001550206557 923711060 /nfs/dbraw/zinc/71/10/60/923711060.db2.gz VLXZCGDSHWLLJW-CYBMUJFWSA-N 2 0 296.415 -0.170 20 0 CBADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C2([NH3+])CC2)CC1 ZINC001550204878 923711250 /nfs/dbraw/zinc/71/12/50/923711250.db2.gz UHIYGDYZGQPRHL-UHFFFAOYSA-N 2 0 294.399 -0.190 20 0 CBADRP N[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@@H]1[NH3+] ZINC001550268619 923713096 /nfs/dbraw/zinc/71/30/96/923713096.db2.gz YRNVWKBHVSJKPA-YVECIDJPSA-N 2 0 281.404 -0.317 20 0 CBADRP Cc1cc(N2C[C@H](n3ccnn3)[C@@H]([NH+](C)C)C2)nc(N)[nH+]1 ZINC001550635293 923732720 /nfs/dbraw/zinc/73/27/20/923732720.db2.gz WZADGHUFQNLENZ-QWRGUYRKSA-N 2 0 288.359 -0.050 20 0 CBADRP Cc1cc(N2C[C@@H](n3ccnn3)[C@H]([NH+](C)C)C2)nc(N)[nH+]1 ZINC001550635292 923733227 /nfs/dbraw/zinc/73/32/27/923733227.db2.gz WZADGHUFQNLENZ-GHMZBOCLSA-N 2 0 288.359 -0.050 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001550722400 923737482 /nfs/dbraw/zinc/73/74/82/923737482.db2.gz QOKVKMQCAKJXGG-WRWGMCAJSA-N 2 0 265.357 -0.093 20 0 CBADRP C[C@]12C[NH2+]C[C@@H]1CN(C(=O)[C@@H]1C[C@H]3OCC[C@@H]3[NH2+]1)C2 ZINC001550722165 923737846 /nfs/dbraw/zinc/73/78/46/923737846.db2.gz DFFMUFDJIGUTAC-OIRVYTLQSA-N 2 0 265.357 -0.426 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001550722398 923739247 /nfs/dbraw/zinc/73/92/47/923739247.db2.gz QOKVKMQCAKJXGG-NOOOWODRSA-N 2 0 265.357 -0.093 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCC[C@]12CC[NH2+]C2 ZINC001550733621 923740224 /nfs/dbraw/zinc/74/02/24/923740224.db2.gz XEWBSWKLXVXPEO-GXTWGEPZSA-N 2 0 282.388 -0.098 20 0 CBADRP [NH3+][C@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC12CCC2 ZINC001550732632 923740927 /nfs/dbraw/zinc/74/09/27/923740927.db2.gz HJTRCPIPWAIMHZ-NEPJUHHUSA-N 2 0 282.388 -0.112 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001550725127 923740939 /nfs/dbraw/zinc/74/09/39/923740939.db2.gz ZSNKODSDTIKLNO-RMQVTFPSSA-N 2 0 251.330 -0.545 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC001550733503 923741143 /nfs/dbraw/zinc/74/11/43/923741143.db2.gz WFNUTQRCNNFHRN-DYEKYZERSA-N 2 0 282.388 -0.194 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC[C@H]1C[NH3+] ZINC001550731044 923741550 /nfs/dbraw/zinc/74/15/50/923741550.db2.gz LDWWLGINIUKGPR-FRRDWIJNSA-N 2 0 284.404 -0.009 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001550732852 923741716 /nfs/dbraw/zinc/74/17/16/923741716.db2.gz UOONTZQRBGZFGP-QWRGUYRKSA-N 2 0 270.377 -0.338 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[NH2+]C[C@H](O)C1 ZINC001550742849 923742733 /nfs/dbraw/zinc/74/27/33/923742733.db2.gz FGODZKXRDGTFDU-WDEREUQCSA-N 2 0 268.361 -0.753 20 0 CBADRP [NH3+]CCC1CC(NC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC001550737203 923742886 /nfs/dbraw/zinc/74/28/86/923742886.db2.gz UFJVBICSWNWRAQ-HTAVTVPLSA-N 2 0 270.377 -0.209 20 0 CBADRP [NH3+][C@@H]1CCOC[C@@H]1NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001550735192 923743522 /nfs/dbraw/zinc/74/35/22/923743522.db2.gz CGAFHLICMKBVFZ-VWYCJHECSA-N 2 0 268.361 -0.314 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC001550743957 923743568 /nfs/dbraw/zinc/74/35/68/923743568.db2.gz HBONERRDJPONNG-ZDUSSCGKSA-N 2 0 295.431 -0.007 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001550741785 923743975 /nfs/dbraw/zinc/74/39/75/923743975.db2.gz CQBZVSJUBPNGBX-RYUDHWBXSA-N 2 0 282.388 -0.099 20 0 CBADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CC[NH2+]C[C@H](O)C1 ZINC001550738820 923744112 /nfs/dbraw/zinc/74/41/12/923744112.db2.gz CSOMUCOZJDIMOT-BFHYXJOUSA-N 2 0 296.415 -0.021 20 0 CBADRP [NH3+]C[C@@]12CC[C@@H](CN1C(=O)NC[C@@H]1C[NH2+]CCCO1)C2 ZINC001550734574 923744955 /nfs/dbraw/zinc/74/49/55/923744955.db2.gz JWXYBLDYVNQTRP-DYEKYZERSA-N 2 0 282.388 -0.112 20 0 CBADRP [NH3+][C@@H]1CCOC[C@H]1NC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550750553 923746397 /nfs/dbraw/zinc/74/63/97/923746397.db2.gz MYWBJVNYGKMELZ-ZLOUSURVSA-N 2 0 282.388 -0.068 20 0 CBADRP O=C1CC[C@H](NC[C@H]2CCC[NH2+]2)[C@H](C2CC[NH2+]CC2)N1 ZINC001550915076 923755622 /nfs/dbraw/zinc/75/56/22/923755622.db2.gz ZENUJLAHBXIMNE-IPYPFGDCSA-N 2 0 280.416 -0.025 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH2+]CCC12CCOCC2 ZINC001551458835 923794728 /nfs/dbraw/zinc/79/47/28/923794728.db2.gz POUVWNKFWCBKKW-LBPRGKRZSA-N 2 0 283.372 -0.654 20 0 CBADRP O=C([C@@H]1CC[NH2+]C1)N1CC[NH2+]CCC12CCOCC2 ZINC001551458543 923794839 /nfs/dbraw/zinc/79/48/39/923794839.db2.gz NGWZAZOEGFEOFI-GFCCVEGCSA-N 2 0 267.373 -0.033 20 0 CBADRP [NH3+][C@@H]1CC12CC(NC(=O)[C@@H]1C[C@@H]3OCC[C@H]3[NH2+]1)C2 ZINC001551462516 923795435 /nfs/dbraw/zinc/79/54/35/923795435.db2.gz ATKLRWBDAJDNDH-BROKJFOISA-N 2 0 251.330 -0.498 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[C@H]2CC[NH2+]C[C@@H]2C1 ZINC001551464596 923795981 /nfs/dbraw/zinc/79/59/81/923795981.db2.gz LDPNZTBMPHFSEI-DGTMBMJNSA-N 2 0 279.384 -0.036 20 0 CBADRP [NH3+]C[C@@H]1C[C@H]1C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001551462300 923796185 /nfs/dbraw/zinc/79/61/85/923796185.db2.gz YCPMZZAFDNMLOT-NWDGAFQWSA-N 2 0 267.373 -0.048 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001551458493 923796530 /nfs/dbraw/zinc/79/65/30/923796530.db2.gz JRRHEJMPWIMNSA-GFCCVEGCSA-N 2 0 285.388 -0.279 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001551468898 923798344 /nfs/dbraw/zinc/79/83/44/923798344.db2.gz XADVQNNFSLFOQB-CYBMUJFWSA-N 2 0 296.415 -0.739 20 0 CBADRP [NH3+][C@@H]1c2ccccc2C[C@@H]1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC001551502857 923799990 /nfs/dbraw/zinc/79/99/90/923799990.db2.gz IJLUBAAGXLNEQT-KWCYVHTRSA-N 2 0 290.367 -0.101 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2Cc3ccccc3[C@@H]2[NH3+])CCO1 ZINC001551512326 923801364 /nfs/dbraw/zinc/80/13/64/923801364.db2.gz ZMXYEGJBTMSNPR-XBFCOCLRSA-N 2 0 290.367 -0.020 20 0 CBADRP [NH3+][C@H]1CC12CC(NC(=O)N[C@@H]1C[NH2+]CC13CCOCC3)C2 ZINC001551566312 923802823 /nfs/dbraw/zinc/80/28/23/923802823.db2.gz HCHFKGQXGNZMQW-XWAURUHHSA-N 2 0 294.399 -0.066 20 0 CBADRP C[N@@H+]1[C@H](CO)C[C@@H]2CN(C(=O)NC3CC4(C[C@H]4[NH3+])C3)C[C@H]21 ZINC001551586203 923803856 /nfs/dbraw/zinc/80/38/56/923803856.db2.gz MPLVUXAXVFEYGO-HXAKPFHISA-N 2 0 294.399 -0.427 20 0 CBADRP CC1(C)CN(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)CC[N@@H+]1CCO ZINC001551580168 923803917 /nfs/dbraw/zinc/80/39/17/923803917.db2.gz JZGZPPQEVODJHS-AVERBVTBSA-N 2 0 296.415 -0.036 20 0 CBADRP [NH3+][C@@H]1CC12CC(NC(=O)N1C[C@H]3CC[C@@]3([NH3+])C1)C2 ZINC001551569388 923804259 /nfs/dbraw/zinc/80/42/59/923804259.db2.gz OTAANKGTSYNWCD-KGQMFNBMSA-N 2 0 250.346 -0.001 20 0 CBADRP [NH3+][C@H]1CC12CCC(NC(=O)N1CC[NH2+]C[C@H](O)C1)CC2 ZINC001551567652 923804287 /nfs/dbraw/zinc/80/42/87/923804287.db2.gz RWJXHTAWNPQTTH-ATJQQHLPSA-N 2 0 282.388 -0.378 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)NC1CC2(C[C@H]2[NH3+])C1 ZINC001551572232 923804528 /nfs/dbraw/zinc/80/45/28/923804528.db2.gz YTZZZJJPAVRIPA-CBKZZEEASA-N 2 0 282.388 -0.114 20 0 CBADRP [NH3+][C@@H]1CC12CC(NC(=O)N1CC[C@H]3C[NH2+]C[C@@H]31)C2 ZINC001551618802 923808204 /nfs/dbraw/zinc/80/82/04/923808204.db2.gz YROVPXJXKOHLFL-KRYJFNLASA-N 2 0 250.346 -0.131 20 0 CBADRP C[NH+](C)C[C@H]1CN(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)CCO1 ZINC001551595539 923809429 /nfs/dbraw/zinc/80/94/29/923809429.db2.gz ULOMKGXNUBGJQQ-ATJQQHLPSA-N 2 0 282.388 -0.162 20 0 CBADRP [NH3+][C@@H]1CC12CC(NC(=O)N1CC[C@H]3C[NH2+]C[C@H]31)C2 ZINC001551618805 923809528 /nfs/dbraw/zinc/80/95/28/923809528.db2.gz YROVPXJXKOHLFL-PXBZPNKQSA-N 2 0 250.346 -0.131 20 0 CBADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552086430 923828903 /nfs/dbraw/zinc/82/89/03/923828903.db2.gz GVCNROHOHQHJRH-OPRDCNLKSA-N 2 0 264.333 -0.626 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552161630 923839328 /nfs/dbraw/zinc/83/93/28/923839328.db2.gz OLWZNNBJRCUTQN-RKDXNWHRSA-N 2 0 252.322 -0.863 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@H](C)CC[NH3+])cnn1C ZINC001552162132 923839782 /nfs/dbraw/zinc/83/97/82/923839782.db2.gz WAAYNAIVXJMMTI-ICCXJUOJSA-N 2 0 279.388 -0.115 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552161369 923839893 /nfs/dbraw/zinc/83/98/93/923839893.db2.gz MALGIMNHDLLOQJ-ZJUUUORDSA-N 2 0 264.333 -0.754 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC001552162477 923841759 /nfs/dbraw/zinc/84/17/59/923841759.db2.gz AJQIKUAEHGXPOU-NEPJUHHUSA-N 2 0 292.387 -0.116 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H](C)C[NH3+])cnn1C ZINC001552164069 923841824 /nfs/dbraw/zinc/84/18/24/923841824.db2.gz MMHBIGNGJYSXKY-UWJYBYFXSA-N 2 0 265.361 -0.505 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC001552162489 923841903 /nfs/dbraw/zinc/84/19/03/923841903.db2.gz AJQIKUAEHGXPOU-VXGBXAGGSA-N 2 0 292.387 -0.116 20 0 CBADRP CN(C(=O)c1cn([C@H]2CC[NH2+]C2)nn1)C1CC([NH3+])C1 ZINC001552163643 923842031 /nfs/dbraw/zinc/84/20/31/923842031.db2.gz IQTOUJLBIQLTTF-KYHHOPLUSA-N 2 0 264.333 -0.626 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC001552162485 923842155 /nfs/dbraw/zinc/84/21/55/923842155.db2.gz AJQIKUAEHGXPOU-RYUDHWBXSA-N 2 0 292.387 -0.116 20 0 CBADRP O=C(NC[C@@H]1C[C@@H](F)C[NH2+]1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552164059 923842679 /nfs/dbraw/zinc/84/26/79/923842679.db2.gz MBFRNNQILITSLL-UTLUCORTSA-N 2 0 282.323 -0.758 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H](F)CN1C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552162530 923842894 /nfs/dbraw/zinc/84/28/94/923842894.db2.gz ASLVNTJAVOLWGX-BBBLOLIVSA-N 2 0 282.323 -0.676 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001552162526 923843244 /nfs/dbraw/zinc/84/32/44/923843244.db2.gz ATNPTZMWVHKFTI-GJZGRUSLSA-N 2 0 294.443 -0.014 20 0 CBADRP O=C(c1cn([C@H]2CC[NH2+]C2)nn1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001552164176 923843839 /nfs/dbraw/zinc/84/38/39/923843839.db2.gz PBPGYZSMPRXCGS-FZMZJTMJSA-N 2 0 290.371 -0.362 20 0 CBADRP CC1(NC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC[NH2+]CC1 ZINC001552164187 923843983 /nfs/dbraw/zinc/84/39/83/923843983.db2.gz POJKTOUDJVWCPK-JTQLQIEISA-N 2 0 278.360 -0.316 20 0 CBADRP CC1(NC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC[NH2+]CC1 ZINC001552164188 923844061 /nfs/dbraw/zinc/84/40/61/923844061.db2.gz POJKTOUDJVWCPK-SNVBAGLBSA-N 2 0 278.360 -0.316 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552164478 923845687 /nfs/dbraw/zinc/84/56/87/923845687.db2.gz VXXXRQILQMTPJC-DTWKUNHWSA-N 2 0 252.322 -0.720 20 0 CBADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552194658 923846872 /nfs/dbraw/zinc/84/68/72/923846872.db2.gz OIKPSODFHURNAF-GMXVVIOVSA-N 2 0 253.346 -0.519 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552195264 923847417 /nfs/dbraw/zinc/84/74/17/923847417.db2.gz YEARYXKOPORPAZ-GMXVVIOVSA-N 2 0 253.346 -0.710 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552194711 923848535 /nfs/dbraw/zinc/84/85/35/923848535.db2.gz QHFFCSPRLXBCMT-OUCADQQQSA-N 2 0 267.373 -0.320 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552198703 923852939 /nfs/dbraw/zinc/85/29/39/923852939.db2.gz YEUTXTKKTLCCIO-BZPMIXESSA-N 2 0 267.373 -0.177 20 0 CBADRP O=C(NC1CC[NH+](C2CC2)CC1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552199935 923855097 /nfs/dbraw/zinc/85/50/97/923855097.db2.gz LVRFAPPJJUFVFG-XHDPSFHLSA-N 2 0 279.384 -0.035 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552199739 923855232 /nfs/dbraw/zinc/85/52/32/923855232.db2.gz HVHSCWDJLLEJJZ-MBNYWOFBSA-N 2 0 267.373 -0.320 20 0 CBADRP O=C(N1CC[N@@H+]2CCC[C@@H]2C1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552200248 923856562 /nfs/dbraw/zinc/85/65/62/923856562.db2.gz FBDISUIALRKLOO-BZPMIXESSA-N 2 0 265.357 -0.471 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552199716 923856687 /nfs/dbraw/zinc/85/66/87/923856687.db2.gz GQMJODHPDIPOPW-WZRBSPASSA-N 2 0 253.346 -0.710 20 0 CBADRP C[NH+]1CCC(NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552199284 923856784 /nfs/dbraw/zinc/85/67/84/923856784.db2.gz AFJDMYVGDDLJOD-ZWNOBZJWSA-N 2 0 253.346 -0.567 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552199811 923856824 /nfs/dbraw/zinc/85/68/24/923856824.db2.gz KKDOLEMWRPXEGE-BXUZGUMPSA-N 2 0 267.373 -0.177 20 0 CBADRP O=C(NCC[NH+]1CCCCC1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552199475 923856922 /nfs/dbraw/zinc/85/69/22/923856922.db2.gz GEGTVIDYJZQSNP-TZMCWYRMSA-N 2 0 267.373 -0.176 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552200971 923858828 /nfs/dbraw/zinc/85/88/28/923858828.db2.gz YGQIOHFZACCAAZ-IUODEOHRSA-N 2 0 297.399 -0.551 20 0 CBADRP C[NH+](C)C(C)(C)CNC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552201216 923859481 /nfs/dbraw/zinc/85/94/81/923859481.db2.gz YSYLBZNESSICRU-GXFFZTMASA-N 2 0 255.362 -0.321 20 0 CBADRP O=C(N1CC[C@]2(CC[NH2+]C2)C1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552202719 923861585 /nfs/dbraw/zinc/86/15/85/923861585.db2.gz NITADFCTKSYWMQ-FPMFFAJLSA-N 2 0 265.357 -0.566 20 0 CBADRP CN(C(=O)[C@@]12C[NH2+]C[C@H]1COC2)C1CC[NH+](C)CC1 ZINC001552202562 923862168 /nfs/dbraw/zinc/86/21/68/923862168.db2.gz JSZOKNQUFMLZGH-SMDDNHRTSA-N 2 0 267.373 -0.225 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC[C@@H]1[NH3+] ZINC001552202581 923862359 /nfs/dbraw/zinc/86/23/59/923862359.db2.gz KMIYZXWSZMZZDQ-NMKXLXIOSA-N 2 0 267.373 -0.192 20 0 CBADRP O=C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552202130 923862689 /nfs/dbraw/zinc/86/26/89/923862689.db2.gz ADPUNOHZGWEJFM-NMKXLXIOSA-N 2 0 265.357 -0.425 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552204531 923864976 /nfs/dbraw/zinc/86/49/76/923864976.db2.gz RTDQSFWYVCTIAF-KKZNHRDASA-N 2 0 275.299 -0.664 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552203183 923865742 /nfs/dbraw/zinc/86/57/42/923865742.db2.gz DMWFHZIMPYELQQ-DZGCQCFKSA-N 2 0 297.399 -0.597 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552204526 923866232 /nfs/dbraw/zinc/86/62/32/923866232.db2.gz RTDQSFWYVCTIAF-FXPVBKGRSA-N 2 0 275.299 -0.664 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCC[NH2+]CC2)n1 ZINC001552215172 923867700 /nfs/dbraw/zinc/86/77/00/923867700.db2.gz DPGKNLNLZPVPQC-SECBINFHSA-N 2 0 279.344 -0.353 20 0 CBADRP C[C@H](CNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2)[NH+]1CCCC1 ZINC001552205976 923867750 /nfs/dbraw/zinc/86/77/50/923867750.db2.gz WBMCGZODVHJEPK-YRGRVCCFSA-N 2 0 267.373 -0.177 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552216272 923868221 /nfs/dbraw/zinc/86/82/21/923868221.db2.gz NGDDFSPOMQOYFV-OUCADQQQSA-N 2 0 267.373 -0.177 20 0 CBADRP [NH3+]C[C@@H](NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)C(F)(F)F ZINC001552210912 923869324 /nfs/dbraw/zinc/86/93/24/923869324.db2.gz YXAQJLLLDPJNQS-POYBYMJQSA-N 2 0 292.265 -0.568 20 0 CBADRP C[C@@]1(NC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC[NH2+]C1 ZINC001552217038 923870750 /nfs/dbraw/zinc/87/07/50/923870750.db2.gz ZKORJBNIJIPQEC-JOYOIKCWSA-N 2 0 264.333 -0.706 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001552246870 923874545 /nfs/dbraw/zinc/87/45/45/923874545.db2.gz PTDZRMJHNQRVBW-IHRRRGAJSA-N 2 0 295.431 -0.184 20 0 CBADRP O=C(N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552274484 923876795 /nfs/dbraw/zinc/87/67/95/923876795.db2.gz KXOKBLBDNYWMGN-DCQANWLSSA-N 2 0 251.330 -0.815 20 0 CBADRP [NH3+]CC1CCC(NC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC001552274835 923877986 /nfs/dbraw/zinc/87/79/86/923877986.db2.gz QLFJPQAEYLJISL-CXQJBGSLSA-N 2 0 255.362 -0.144 20 0 CBADRP CC(C)([NH3+])CCNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552283430 923879383 /nfs/dbraw/zinc/87/93/83/923879383.db2.gz SCXRSLHSOZANSH-VIFPVBQESA-N 2 0 266.349 -0.330 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552275313 923879537 /nfs/dbraw/zinc/87/95/37/923879537.db2.gz WNDVTDOUUCHYPK-CVZZAPKMSA-N 2 0 290.371 -0.092 20 0 CBADRP N[C@@H]1CN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C[C@H]1[NH3+] ZINC001552282192 923879613 /nfs/dbraw/zinc/87/96/13/923879613.db2.gz HYSYBOZDKBWUDW-NFAWXSAZSA-N 2 0 274.368 -0.586 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552276067 923879810 /nfs/dbraw/zinc/87/98/10/923879810.db2.gz FXPDNQNSXOHAJY-DTWKUNHWSA-N 2 0 252.322 -0.768 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552275757 923880085 /nfs/dbraw/zinc/88/00/85/923880085.db2.gz DFPXJWVVAKBKCO-IVZWLZJFSA-N 2 0 264.333 -0.707 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC001552281852 923880116 /nfs/dbraw/zinc/88/01/16/923880116.db2.gz GHCKGRJKGAHPLG-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)N2C[C@@H](N)[C@@H]([NH3+])C2)CC1 ZINC001552291481 923881533 /nfs/dbraw/zinc/88/15/33/923881533.db2.gz AHCVMEFQJYKZOF-XQQFMLRXSA-N 2 0 295.431 -0.213 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)[C@@H]1C[NH2+]CCOC1 ZINC001552284892 923882234 /nfs/dbraw/zinc/88/22/34/923882234.db2.gz FWBCKQXVPQQRFP-NXEZZACHSA-N 2 0 277.315 -0.417 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)NCC2(C[NH3+])CC2)CCCO1 ZINC001552337457 923886481 /nfs/dbraw/zinc/88/64/81/923886481.db2.gz DWBHHSFMQFJOGV-JTQLQIEISA-N 2 0 256.350 -0.516 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1CNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001552346541 923887755 /nfs/dbraw/zinc/88/77/55/923887755.db2.gz KIWXCLBUJCUVNC-UPJWGTAASA-N 2 0 284.404 -0.009 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001552338796 923887882 /nfs/dbraw/zinc/88/78/82/923887882.db2.gz KGNPQIXESKGAIY-IXOXFDKPSA-N 2 0 292.387 -0.536 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2[C@H]3CCCC[NH2+][C@@H]32)CCCO1 ZINC001552344531 923888112 /nfs/dbraw/zinc/88/81/12/923888112.db2.gz JQTQYOXWVPUTMS-MROQNXINSA-N 2 0 282.388 -0.114 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CC[C@H]([NH3+])C2)CCCO1 ZINC001552340469 923888702 /nfs/dbraw/zinc/88/87/02/923888702.db2.gz PLGNCXZWVVTRAK-SDDRHHMPSA-N 2 0 270.377 -0.127 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH2+]C3)CCN2C1=O ZINC001552377200 923893293 /nfs/dbraw/zinc/89/32/93/923893293.db2.gz ZBPKVWIATWNPAT-IJLUTSLNSA-N 2 0 280.372 -0.854 20 0 CBADRP CCO[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1C[NH3+] ZINC001552414446 923895250 /nfs/dbraw/zinc/89/52/50/923895250.db2.gz ZTXMATJMTOEBOB-YNEHKIRRSA-N 3 0 269.389 -0.197 20 0 CBADRP C[NH2+]CCNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C ZINC001552418903 923895405 /nfs/dbraw/zinc/89/54/05/923895405.db2.gz AXXLKVIOAVZLBU-SECBINFHSA-N 2 0 252.322 -0.930 20 0 CBADRP Cc1c(C(=O)N[C@H]2CC[NH2+]C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552418741 923895857 /nfs/dbraw/zinc/89/58/57/923895857.db2.gz MOYZVUYSSZEVKP-UWVGGRQHSA-N 2 0 264.333 -0.787 20 0 CBADRP Cc1c(C(=O)N2CCC[C@@H]([NH3+])C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552417873 923895879 /nfs/dbraw/zinc/89/58/79/923895879.db2.gz INSYPCNLWNMNHN-MNOVXSKESA-N 2 0 278.360 -0.316 20 0 CBADRP Cc1c(C(=O)N2CCC[C@H]([NH3+])C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552417875 923896198 /nfs/dbraw/zinc/89/61/98/923896198.db2.gz INSYPCNLWNMNHN-WDEREUQCSA-N 2 0 278.360 -0.316 20 0 CBADRP Cc1c(C(=O)N[C@@H]2CCC[NH2+]C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552419346 923896266 /nfs/dbraw/zinc/89/62/66/923896266.db2.gz YXTBDYMLLKZXQP-GHMZBOCLSA-N 2 0 278.360 -0.397 20 0 CBADRP Cc1c(C(=O)NCC[C@@H](C)[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552419423 923897354 /nfs/dbraw/zinc/89/73/54/923897354.db2.gz VCSDRSDNNGFYBG-SCZZXKLOSA-N 2 0 266.349 -0.412 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)c1cnnn1C1CC[NH2+]CC1 ZINC001552418960 923897373 /nfs/dbraw/zinc/89/73/73/923897373.db2.gz CCIBUFMFOFUENQ-NSHDSACASA-N 2 0 292.387 -0.068 20 0 CBADRP Cc1c(C(=O)N2CCC[C@@H]2C[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552420433 923899302 /nfs/dbraw/zinc/89/93/02/923899302.db2.gz YRXBBWQISSANSA-GHMZBOCLSA-N 2 0 278.360 -0.316 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+]C1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001552436588 923905565 /nfs/dbraw/zinc/90/55/65/923905565.db2.gz QUNIHJJDCUECCQ-NEPJUHHUSA-N 2 0 292.387 -0.068 20 0 CBADRP Cc1c(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)nnn1[C@@H]1CC[NH2+]C1 ZINC001552437282 923906335 /nfs/dbraw/zinc/90/63/35/923906335.db2.gz ADJPFGUALLQSLH-GDPRMGEGSA-N 2 0 278.360 -0.317 20 0 CBADRP Cc1c(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552437843 923906430 /nfs/dbraw/zinc/90/64/30/923906430.db2.gz JHUKKFQKUCEKAO-IJLUTSLNSA-N 2 0 292.387 -0.022 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cnnn1C1CC[NH2+]CC1 ZINC001552437620 923906636 /nfs/dbraw/zinc/90/66/36/923906636.db2.gz DUDHHJHYYAQMCC-UWVGGRQHSA-N 2 0 296.350 -0.368 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001552437959 923907111 /nfs/dbraw/zinc/90/71/11/923907111.db2.gz SXKJVGZKJSFBOQ-SECBINFHSA-N 2 0 266.349 -0.460 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C ZINC001552437348 923907184 /nfs/dbraw/zinc/90/71/84/923907184.db2.gz CDOVUVLVPDVJFX-VHSXEESVSA-N 2 0 266.349 -0.412 20 0 CBADRP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001552438189 923907264 /nfs/dbraw/zinc/90/72/64/923907264.db2.gz ZNLCBQZLOLYQBR-VWYCJHECSA-N 2 0 275.356 -0.222 20 0 CBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001552438963 923907401 /nfs/dbraw/zinc/90/74/01/923907401.db2.gz WTBISGUMIGNIRK-ONGXEEELSA-N 2 0 278.360 -0.236 20 0 CBADRP Cc1c(C(=O)NC[C@H]2[NH2+]CC2(C)C)nnn1[C@@H]1CC[NH2+]C1 ZINC001552437992 923907444 /nfs/dbraw/zinc/90/74/44/923907444.db2.gz VJZABMQARDVWTP-GHMZBOCLSA-N 2 0 292.387 -0.151 20 0 CBADRP [NH3+][C@H]1COCCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC001552762161 923916455 /nfs/dbraw/zinc/91/64/55/923916455.db2.gz HJZJXQRSQURDHG-VHSXEESVSA-N 2 0 279.344 -0.714 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)c2c[nH]c(C3CC[NH2+]CC3)n2)CCO1 ZINC001552694403 923916764 /nfs/dbraw/zinc/91/67/64/923916764.db2.gz UXFAZCPTLPARNJ-NSHDSACASA-N 2 0 293.371 -0.324 20 0 CBADRP C[C@H](C[NH3+])NC(=O)c1cnc(C2CC[NH2+]CC2)[nH]1 ZINC001552692393 923916818 /nfs/dbraw/zinc/91/68/18/923916818.db2.gz BGMCQXOGCNISKJ-MRVPVSSYSA-N 2 0 251.334 -0.046 20 0 CBADRP [NH3+][C@@H]1COCCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC001552764136 923916953 /nfs/dbraw/zinc/91/69/53/923916953.db2.gz QXIUDKCTWUGVDQ-NSHDSACASA-N 2 0 294.355 -0.059 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)c1cnc(C2CC[NH2+]CC2)[nH]1 ZINC001552692394 923917680 /nfs/dbraw/zinc/91/76/80/923917680.db2.gz BGMCQXOGCNISKJ-QMMMGPOBSA-N 2 0 251.334 -0.046 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(Cc2cnn3c2C[NH2+]CC3)CCO1 ZINC001552687653 923917877 /nfs/dbraw/zinc/91/78/77/923917877.db2.gz VQFFDUACNRQMMU-GXFFZTMASA-N 2 0 265.361 -0.466 20 0 CBADRP O=C(N1CCO[C@@H]2C[NH2+]C[C@@H]21)[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001552842058 923919249 /nfs/dbraw/zinc/91/92/49/923919249.db2.gz CTHFEUTYIDDOKR-OPDFLTKYSA-N 2 0 265.357 -0.282 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001552820159 923921061 /nfs/dbraw/zinc/92/10/61/923921061.db2.gz HFCALIOARPDOHO-ZFWWWQNUSA-N 2 0 280.416 -0.118 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001552840686 923921422 /nfs/dbraw/zinc/92/14/22/923921422.db2.gz AESCTCUROAMYQO-GVXVVHGQSA-N 2 0 253.346 -0.377 20 0 CBADRP Cc1c(C(=O)N(C)C[C@H](C)[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552847536 923923475 /nfs/dbraw/zinc/92/34/75/923923475.db2.gz AVBJCTDDDVADIS-WPRPVWTQSA-N 2 0 266.349 -0.460 20 0 CBADRP Cc1c(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)nnn1[C@@H]1CC[NH2+]C1 ZINC001552850144 923924014 /nfs/dbraw/zinc/92/40/14/923924014.db2.gz ZNGYYLWYSOISHY-GRYCIOLGSA-N 2 0 290.371 -0.303 20 0 CBADRP N[C@@H]1CN(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C[C@@H]1[NH3+] ZINC001552961819 923928491 /nfs/dbraw/zinc/92/84/91/923928491.db2.gz WCTOITUXDACUPQ-MCIONIFRSA-N 2 0 295.431 -0.212 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3CCC[NH2+]C3)C2)CC1 ZINC001552954578 923928545 /nfs/dbraw/zinc/92/85/45/923928545.db2.gz LHMKKAUWMNXNOC-UONOGXRCSA-N 2 0 295.431 -0.230 20 0 CBADRP [NH3+][C@@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1n1ccnn1 ZINC001552973408 923929573 /nfs/dbraw/zinc/92/95/73/923929573.db2.gz DJYFPDSRUXFHJS-YUSLTOFOSA-N 2 0 276.388 -0.007 20 0 CBADRP N[C@@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)C[C@H]1[NH3+] ZINC001552973665 923929970 /nfs/dbraw/zinc/92/99/70/923929970.db2.gz UCJBDRCNRNENDQ-GHMZBOCLSA-N 2 0 252.387 -0.136 20 0 CBADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CC[C@H]2C[NH2+]C[C@@H]21 ZINC001552973334 923932191 /nfs/dbraw/zinc/93/21/91/923932191.db2.gz OTKKVWKLFCZIQV-SCRDCRAPSA-N 2 0 276.388 -0.004 20 0 CBADRP C[NH2+]C[C@@H]1C[C@@H](F)CN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001553012838 923935281 /nfs/dbraw/zinc/93/52/81/923935281.db2.gz KIJZGMYHJKZWFK-WOPDTQHZSA-N 2 0 257.353 -0.003 20 0 CBADRP [NH3+][C@@H]1COCCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001553304309 923947136 /nfs/dbraw/zinc/94/71/36/923947136.db2.gz DHHNANOGNPNGJX-STQMWFEESA-N 2 0 269.389 -0.195 20 0 CBADRP F[C@@H]1C[NH2+]C[C@H]1NCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC001553317462 923949815 /nfs/dbraw/zinc/94/98/15/923949815.db2.gz ZAIZIUSRSXDORI-MVWJERBFSA-N 2 0 268.340 -0.398 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)[C@@]12C[NH2+]C[C@@H]1COCC2 ZINC001553347235 923952792 /nfs/dbraw/zinc/95/27/92/923952792.db2.gz BMVUYODELKBQEC-OCCSQVGLSA-N 2 0 267.373 -0.272 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2C[C@@H](C(=O)NCCN3CC[NH2+]CC3)C[C@@H]12 ZINC001553351898 923952934 /nfs/dbraw/zinc/95/29/34/923952934.db2.gz PMWDKODGJAOREW-UMSGYPCISA-N 2 0 266.389 -0.619 20 0 CBADRP [NH3+]CC1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COCC3)CC1 ZINC001553348998 923953237 /nfs/dbraw/zinc/95/32/37/923953237.db2.gz LZWKDTSJJMSCFU-TZMCWYRMSA-N 2 0 267.373 -0.190 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COCC3)C1 ZINC001553349847 923953446 /nfs/dbraw/zinc/95/34/46/923953446.db2.gz DTYUFCXFXQJSNX-SCRDCRAPSA-N 2 0 267.373 -0.190 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COCC3)C1 ZINC001553348002 923953822 /nfs/dbraw/zinc/95/38/22/923953822.db2.gz HLKTWHVRXAJZIC-NQBHXWOUSA-N 2 0 253.346 -0.567 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553353463 923956901 /nfs/dbraw/zinc/95/69/01/923956901.db2.gz DTOHFVUKKHDTBJ-SCRDCRAPSA-N 3 0 268.405 -0.373 20 0 CBADRP C[N@@H+]1CC[C@@]2(C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[NH2+]C[C@@H]2C1 ZINC001553354475 923957181 /nfs/dbraw/zinc/95/71/81/923957181.db2.gz PSQICVDTOMMYKP-TVRKVIKTSA-N 3 0 292.427 -0.073 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)N[C@H]3CC[NH2+]C3)C[NH2+]C[C@@H]2C1 ZINC001553355163 923957917 /nfs/dbraw/zinc/95/79/17/923957917.db2.gz UHPYSPGMKIGAQP-MDZLAQPJSA-N 3 0 252.362 -0.994 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)N[C@H](C[NH3+])C3CC3)C[NH2+]C[C@@H]2C1 ZINC001553355601 923957952 /nfs/dbraw/zinc/95/79/52/923957952.db2.gz BOFABLYHDGOHCC-BZPMIXESSA-N 3 0 266.389 -0.619 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1[C@@H]2C[NH2+]CC[C@@H]21 ZINC001553355426 923958172 /nfs/dbraw/zinc/95/81/72/923958172.db2.gz XNJSIMJMUBGPKN-YNEHKIRRSA-N 2 0 266.389 -0.795 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(C)CC3)CC1 ZINC001553355668 923958324 /nfs/dbraw/zinc/95/83/24/923958324.db2.gz AKKJUYYCYUASSI-ZBFHGGJFSA-N 2 0 294.443 -0.014 20 0 CBADRP [NH3+]C[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1COCC2)C1CC1 ZINC001553356062 923959641 /nfs/dbraw/zinc/95/96/41/923959641.db2.gz CSAXKFXJPVPZIT-MDZLAQPJSA-N 2 0 253.346 -0.534 20 0 CBADRP [NH3+]C[C@H](NC(=O)[C@@]12C[NH2+]C[C@H]1COCC2)C1CC1 ZINC001553356060 923959863 /nfs/dbraw/zinc/95/98/63/923959863.db2.gz CSAXKFXJPVPZIT-GVXVVHGQSA-N 2 0 253.346 -0.534 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@]23CC[C@H]2C[NH2+]C3)CCO1 ZINC001553356978 923960301 /nfs/dbraw/zinc/96/03/01/923960301.db2.gz CKXYGZZYBWEBTH-MRBYEJRBSA-N 2 0 253.346 -0.439 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc3c(n2)C[NH2+]CC3)CCO1 ZINC001553359111 923960568 /nfs/dbraw/zinc/96/05/68/923960568.db2.gz KGYFEDTWDFRCSO-YGRLFVJLSA-N 2 0 290.367 -0.085 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)[C@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553357122 923960887 /nfs/dbraw/zinc/96/08/87/923960887.db2.gz VVCXXTFVXVCXTC-DMDPSCGWSA-N 3 0 254.378 -0.619 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001553356009 923961226 /nfs/dbraw/zinc/96/12/26/923961226.db2.gz QREWQPBVRLTRQO-YRGRVCCFSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2COCC3)CCO1 ZINC001553359558 923964425 /nfs/dbraw/zinc/96/44/25/923964425.db2.gz MEKGZKFNDWDSKI-OPDFLTKYSA-N 2 0 283.372 -0.813 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2[NH2+]CC23CCOCC3)CCO1 ZINC001553360897 923966219 /nfs/dbraw/zinc/96/62/19/923966219.db2.gz WGJBDTKMQMPZEA-SDDRHHMPSA-N 2 0 283.372 -0.670 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553402922 923973896 /nfs/dbraw/zinc/97/38/96/923973896.db2.gz UMLZCTTVIHUGOB-QNWHQSFQSA-N 2 0 267.373 -0.036 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553403202 923973960 /nfs/dbraw/zinc/97/39/60/923973960.db2.gz WKLACDQDMGQAPC-GRYCIOLGSA-N 2 0 253.346 -0.378 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)C1CC1 ZINC001553403917 923974006 /nfs/dbraw/zinc/97/40/06/923974006.db2.gz BJXLUDQHPFXDEC-XQHKEYJVSA-N 2 0 267.373 -0.038 20 0 CBADRP Cn1cc(CCNC(=O)[C@@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)cn1 ZINC001553403428 923975290 /nfs/dbraw/zinc/97/52/90/923975290.db2.gz YWABFGDGPGKTEP-ZFWWWQNUSA-N 2 0 291.399 -0.380 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553404213 923977068 /nfs/dbraw/zinc/97/70/68/923977068.db2.gz AWNKCLUYKGPHFI-DGORSVRFSA-N 2 0 253.346 -0.108 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC001553404614 923977557 /nfs/dbraw/zinc/97/75/57/923977557.db2.gz AWUSKIYRIQOWQR-VOAKCMCISA-N 2 0 265.357 -0.188 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001553405832 923977696 /nfs/dbraw/zinc/97/76/96/923977696.db2.gz FBDKVMNXSQPPOA-LVEVGFFFSA-N 2 0 251.330 -0.816 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001553405834 923978121 /nfs/dbraw/zinc/97/81/21/923978121.db2.gz FBDKVMNXSQPPOA-OSUNSFLBSA-N 2 0 251.330 -0.816 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553404221 923978175 /nfs/dbraw/zinc/97/81/75/923978175.db2.gz AWNKCLUYKGPHFI-WTPMCQDGSA-N 2 0 253.346 -0.108 20 0 CBADRP O=C(NCC[NH+]1CCCC1)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553405763 923978518 /nfs/dbraw/zinc/97/85/18/923978518.db2.gz GXPYTEVVFXUFEP-SRVKXCTJSA-N 2 0 253.346 -0.282 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)n1 ZINC001553405334 923978590 /nfs/dbraw/zinc/97/85/90/923978590.db2.gz CCRROUAQHVHBQA-SRVKXCTJSA-N 2 0 293.371 -0.097 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553405865 923978605 /nfs/dbraw/zinc/97/86/05/923978605.db2.gz FELTULAXUJPGOI-LDMBFOFVSA-N 2 0 253.346 -0.380 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553407835 923979608 /nfs/dbraw/zinc/97/96/08/923979608.db2.gz HYRBDSISYHVODS-MROQNXINSA-N 2 0 267.373 -0.036 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553408257 923979877 /nfs/dbraw/zinc/97/98/77/923979877.db2.gz ISIUWNAPNUNWOP-QHZLYTNSSA-N 2 0 257.309 -0.678 20 0 CBADRP [NH3+]C[C@H](NC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1)C(F)(F)F ZINC001553407148 923981058 /nfs/dbraw/zinc/98/10/58/923981058.db2.gz GDFQJQXDHANXFK-CWKFCGSDSA-N 2 0 267.251 -0.488 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553407553 923981372 /nfs/dbraw/zinc/98/13/72/923981372.db2.gz HINUGUBYRSXJQY-IHRRRGAJSA-N 2 0 297.399 -0.267 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553409732 923985057 /nfs/dbraw/zinc/98/50/57/923985057.db2.gz KDYGCQNINNDUFF-IHRRRGAJSA-N 2 0 297.399 -0.267 20 0 CBADRP CC1(C)C[NH2+][C@@H]1CNC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553412743 923986241 /nfs/dbraw/zinc/98/62/41/923986241.db2.gz UTEMSPCQTNWLLR-UKKRHICBSA-N 2 0 253.346 -0.380 20 0 CBADRP C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553414353 923987397 /nfs/dbraw/zinc/98/73/97/923987397.db2.gz ZYBCOWMXQXFLRF-WOPDTQHZSA-N 2 0 253.346 -0.284 20 0 CBADRP CC1(C)CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC[NH2+]1 ZINC001553415671 923990644 /nfs/dbraw/zinc/99/06/44/923990644.db2.gz ZHOJNDLURUQONM-VWYCJHECSA-N 2 0 253.346 -0.284 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001553420246 923992148 /nfs/dbraw/zinc/99/21/48/923992148.db2.gz IEGQSPULNPSVCE-RNJOBUHISA-N 2 0 283.372 -0.921 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001553420240 923992975 /nfs/dbraw/zinc/99/29/75/923992975.db2.gz IEGQSPULNPSVCE-NDBYEHHHSA-N 2 0 283.372 -0.921 20 0 CBADRP O=C(Nc1n[nH]c2c1C[NH2+]C2)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553427237 923995732 /nfs/dbraw/zinc/99/57/32/923995732.db2.gz HDYXMCWTAIWOOR-OYNCUSHFSA-N 2 0 263.301 -0.529 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001553441906 924000757 /nfs/dbraw/zinc/00/07/57/924000757.db2.gz USEPSMDQCYTTPL-NSHDSACASA-N 2 0 270.377 -0.112 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)C1 ZINC001553440566 924000880 /nfs/dbraw/zinc/00/08/80/924000880.db2.gz WCELYFATYRVVLJ-FIQHERPVSA-N 2 0 252.362 -0.073 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001553448113 924002953 /nfs/dbraw/zinc/00/29/53/924002953.db2.gz LPYTZUGGBNUXPN-VNHYZAJKSA-N 2 0 295.431 -0.245 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H]3CC[C@@]3([NH3+])C2)C1 ZINC001553459435 924005072 /nfs/dbraw/zinc/00/50/72/924005072.db2.gz VPBWDKGYHVONMR-MBNYWOFBSA-N 2 0 282.388 -0.160 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H]3CC[C@]3([NH3+])C2)C1 ZINC001553459430 924005309 /nfs/dbraw/zinc/00/53/09/924005309.db2.gz VPBWDKGYHVONMR-DYEKYZERSA-N 2 0 282.388 -0.160 20 0 CBADRP O=C(NC1CC[NH2+]CC1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553489339 924006503 /nfs/dbraw/zinc/00/65/03/924006503.db2.gz DMNPNBBEZRKCLR-KBPBESRZSA-N 2 0 296.415 -0.021 20 0 CBADRP O=C(NC1CC[NH2+]CC1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553489342 924007115 /nfs/dbraw/zinc/00/71/15/924007115.db2.gz DMNPNBBEZRKCLR-KGLIPLIRSA-N 2 0 296.415 -0.021 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC001553488255 924008149 /nfs/dbraw/zinc/00/81/49/924008149.db2.gz BLLOGBVNUFMVKT-OCCSQVGLSA-N 2 0 281.404 -0.667 20 0 CBADRP C[NH2+]CCNC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553493205 924010642 /nfs/dbraw/zinc/01/06/42/924010642.db2.gz ACXBELVJRHHYQD-JTQLQIEISA-N 2 0 256.350 -0.645 20 0 CBADRP CC(C)([NH3+])CNC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553496415 924011144 /nfs/dbraw/zinc/01/11/44/924011144.db2.gz LHXOMUVBKDTOFL-JTQLQIEISA-N 2 0 270.377 -0.127 20 0 CBADRP C[NH2+]CCNC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553497513 924012069 /nfs/dbraw/zinc/01/20/69/924012069.db2.gz SIGLENAADIHFRE-JTQLQIEISA-N 2 0 256.350 -0.726 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553499425 924012298 /nfs/dbraw/zinc/01/22/98/924012298.db2.gz YSPUAIFOVIPWPV-WDEREUQCSA-N 2 0 270.377 -0.209 20 0 CBADRP [NH3+][C@H](CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)C1CC1 ZINC001553497438 924012312 /nfs/dbraw/zinc/01/23/12/924012312.db2.gz PUUQNUWJTDJNMK-HZSPNIEDSA-N 2 0 296.415 -0.036 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553500778 924012768 /nfs/dbraw/zinc/01/27/68/924012768.db2.gz GZSACTSGUOPQSM-ZDEQEGDKSA-N 2 0 284.404 -0.037 20 0 CBADRP [NH3+][C@H]1CN(C(=O)N[C@H]2CCC[NH2+]C2)CC12CCOCC2 ZINC001553497775 924014416 /nfs/dbraw/zinc/01/44/16/924014416.db2.gz QSIMCKXDDIXPRP-RYUDHWBXSA-N 2 0 282.388 -0.112 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553498684 924014591 /nfs/dbraw/zinc/01/45/91/924014591.db2.gz VYMUCYBDYZUYQB-WDEREUQCSA-N 2 0 270.377 -0.270 20 0 CBADRP C[C@H]([NH3+])CNC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553506438 924016035 /nfs/dbraw/zinc/01/60/35/924016035.db2.gz VSQDUZQZMDFYMF-VHSXEESVSA-N 2 0 256.350 -0.517 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553506972 924016321 /nfs/dbraw/zinc/01/63/21/924016321.db2.gz OVUIJVLYETUSMF-AGIUHOORSA-N 2 0 282.388 -0.411 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553504957 924016885 /nfs/dbraw/zinc/01/68/85/924016885.db2.gz SYFWLYFFYPZGBH-JHJVBQTASA-N 2 0 284.404 -0.165 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC001553502030 924017709 /nfs/dbraw/zinc/01/77/09/924017709.db2.gz JJEBIGFWYKANAL-FRRDWIJNSA-N 2 0 282.388 -0.242 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553507438 924018799 /nfs/dbraw/zinc/01/87/99/924018799.db2.gz YDRFLXCGJXHAAP-DCAQKATOSA-N 2 0 270.377 -0.210 20 0 CBADRP [NH3+]C1CC(CNC(=O)N[C@H]2C[NH2+]CC23CCOCC3)C1 ZINC001553512695 924019575 /nfs/dbraw/zinc/01/95/75/924019575.db2.gz IHLOGXPULQRJNE-MCIGGMRASA-N 2 0 282.388 -0.209 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)NC1(C2CC[NH2+]CC2)CC1 ZINC001553516439 924019651 /nfs/dbraw/zinc/01/96/51/924019651.db2.gz PEUYZWWURCZIOB-GFCCVEGCSA-N 2 0 282.388 -0.194 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001553515155 924019729 /nfs/dbraw/zinc/01/97/29/924019729.db2.gz JWASQAQORXMKJQ-JCIQBVFBSA-N 2 0 252.362 -0.170 20 0 CBADRP C[C@@H](NC(=O)N[C@H]1C[NH2+]CC12CCOCC2)[C@H](C)[NH3+] ZINC001553507433 924020722 /nfs/dbraw/zinc/02/07/22/924020722.db2.gz YDRFLXCGJXHAAP-AXFHLTTASA-N 2 0 270.377 -0.210 20 0 CBADRP [NH3+][C@]12CC[C@H]1CN(C(=O)NC[C@@H]1COCC[NH2+]1)C2 ZINC001553513848 924020893 /nfs/dbraw/zinc/02/08/93/924020893.db2.gz IYSZMVKKAQZPGM-UMNHJUIQSA-N 2 0 254.334 -0.893 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC001553518060 924022286 /nfs/dbraw/zinc/02/22/86/924022286.db2.gz UTNQHSKEKGZRPF-XQQFMLRXSA-N 2 0 282.388 -0.242 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC001553526206 924022406 /nfs/dbraw/zinc/02/24/06/924022406.db2.gz IFYZLFZUWWKJIJ-HIFRSBDPSA-N 2 0 295.431 -0.007 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC001553526208 924022914 /nfs/dbraw/zinc/02/29/14/924022914.db2.gz IFYZLFZUWWKJIJ-UKRRQHHQSA-N 2 0 295.431 -0.007 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001553517623 924023847 /nfs/dbraw/zinc/02/38/47/924023847.db2.gz MNYXINAEAVJBAU-YFKTTZPYSA-N 2 0 292.387 -0.393 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553525213 924023907 /nfs/dbraw/zinc/02/39/07/924023907.db2.gz GRFSYVXILULVEL-IJLUTSLNSA-N 2 0 282.388 -0.338 20 0 CBADRP N[C@@H]1CN(C(=O)N2CC[C@@H]3CC[NH2+]C[C@H]3C2)C[C@@H]1[NH3+] ZINC001553532032 924024615 /nfs/dbraw/zinc/02/46/15/924024615.db2.gz UQHCAUYDIOBIPE-FIQHERPVSA-N 2 0 267.377 -0.992 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)N1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001553527091 924025184 /nfs/dbraw/zinc/02/51/84/924025184.db2.gz JHIDYDMUPNOKGV-HNCHTBHHSA-N 2 0 252.362 -0.025 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001553529687 924025836 /nfs/dbraw/zinc/02/58/36/924025836.db2.gz NILJURHMELBBGI-OOCWMUITSA-N 2 0 252.362 -0.312 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001553529689 924027035 /nfs/dbraw/zinc/02/70/35/924027035.db2.gz NILJURHMELBBGI-ROHXPCBUSA-N 2 0 252.362 -0.312 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2C[NH2+]C[C@H]2F)CC12CCOCC2 ZINC001553548492 924029317 /nfs/dbraw/zinc/02/93/17/924029317.db2.gz YQVMQBXFYDHLBF-GMTAPVOTSA-N 2 0 286.351 -0.554 20 0 CBADRP C[N@H+](CCO)CCNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001558359391 924169458 /nfs/dbraw/zinc/16/94/58/924169458.db2.gz ISJFGPZVBRYWHG-LLVKDONJSA-N 2 0 261.341 -0.539 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000573322511 334927609 /nfs/dbraw/zinc/92/76/09/334927609.db2.gz HLTRVWDHKPIDSO-NXEZZACHSA-N 2 0 256.350 -0.963 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2C[C@@H](O)C2(C)C)CC1 ZINC000573324126 334927862 /nfs/dbraw/zinc/92/78/62/334927862.db2.gz HNCGZURZLYTQSY-FRRDWIJNSA-N 2 0 271.405 -0.656 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000337413044 214065979 /nfs/dbraw/zinc/06/59/79/214065979.db2.gz ODIBBGVFLHVPFS-DGCLKSJQSA-N 2 0 272.393 -0.308 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CCO1 ZINC000188904563 282125945 /nfs/dbraw/zinc/12/59/45/282125945.db2.gz SSPOEDZOJXZJOR-HBNTYKKESA-N 2 0 259.325 -0.525 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)O1 ZINC000375707521 230249905 /nfs/dbraw/zinc/24/99/05/230249905.db2.gz NHOYLDJZEFOEJN-QCNOEVLYSA-N 2 0 253.346 -0.297 20 0 CBADRP CCC[N@@H+]1CCCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000125215869 187174880 /nfs/dbraw/zinc/17/48/80/187174880.db2.gz FAWCGYGHQGSTAH-UHFFFAOYSA-N 2 0 256.350 -0.994 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000376578198 230255177 /nfs/dbraw/zinc/25/51/77/230255177.db2.gz ARZFBMRKCFZOCF-JTQLQIEISA-N 2 0 268.361 -0.806 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000376578199 230255728 /nfs/dbraw/zinc/25/57/28/230255728.db2.gz ARZFBMRKCFZOCF-SNVBAGLBSA-N 2 0 268.361 -0.806 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)C[NH+]1CCN(C)CC1 ZINC000337808544 214269729 /nfs/dbraw/zinc/26/97/29/214269729.db2.gz KTROCPHSLZQNCQ-MCIONIFRSA-N 2 0 298.431 -0.508 20 0 CBADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1CCC[NH2+]1 ZINC000337834258 214279753 /nfs/dbraw/zinc/27/97/53/214279753.db2.gz CHSGLRJWFUFIBZ-LBPRGKRZSA-N 2 0 255.362 -0.299 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NCCCC[NH+]2CCOCC2)O1 ZINC000337841528 214283559 /nfs/dbraw/zinc/28/35/59/214283559.db2.gz VPUPYGCRZFJCMA-OLZOCXBDSA-N 2 0 285.388 -0.279 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262425668 295673858 /nfs/dbraw/zinc/67/38/58/295673858.db2.gz SHQFBTISJWETPR-CIQGVGRVSA-N 2 0 267.373 -0.537 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)[C@H]1CC12CC[NH2+]CC2 ZINC000573368873 334931986 /nfs/dbraw/zinc/93/19/86/334931986.db2.gz ZMLXSQQDFADTMG-VXGBXAGGSA-N 2 0 267.373 -0.129 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000418838357 282169171 /nfs/dbraw/zinc/16/91/71/282169171.db2.gz VAIXEJDZBMOILL-JTQLQIEISA-N 2 0 298.412 -0.116 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CCCC1 ZINC000125654677 187194761 /nfs/dbraw/zinc/19/47/61/187194761.db2.gz LYCOMCVEGBRJMQ-GHMZBOCLSA-N 2 0 255.362 -0.300 20 0 CBADRP C[C@@H](C(=O)NC[C@H](C)N1CC[NH+](C)CC1)[C@H](C)[NH3+] ZINC000493952268 230340087 /nfs/dbraw/zinc/34/00/87/230340087.db2.gz JGBPCEWULUJWPZ-TUAOUCFPSA-N 2 0 256.394 -0.278 20 0 CBADRP C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H](C)[NH3+] ZINC000493945264 230341266 /nfs/dbraw/zinc/34/12/66/230341266.db2.gz PJAVIPWYEBUYMM-WOPDTQHZSA-N 2 0 284.404 -0.327 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000125717274 187197164 /nfs/dbraw/zinc/19/71/64/187197164.db2.gz AEUPRHNIUQUHCL-LBPRGKRZSA-N 2 0 254.378 -0.556 20 0 CBADRP CC(C)[C@@H](C(=O)NCCN1CC[NH2+]CC1)[NH+](C)C ZINC000125715784 187197460 /nfs/dbraw/zinc/19/74/60/187197460.db2.gz MNMBRCQUBMAWIH-LBPRGKRZSA-N 2 0 256.394 -0.406 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494700817 230361617 /nfs/dbraw/zinc/36/16/17/230361617.db2.gz XLQNEPJAFJRWAF-OLZOCXBDSA-N 2 0 296.415 -0.025 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC000262487905 282193572 /nfs/dbraw/zinc/19/35/72/282193572.db2.gz YWEDQWQBSFOTBP-USZNOCQGSA-N 2 0 255.362 -0.302 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000419143934 290657341 /nfs/dbraw/zinc/65/73/41/290657341.db2.gz DUPJYUZGPMXGQU-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000126288148 187230919 /nfs/dbraw/zinc/23/09/19/187230919.db2.gz HPNHYIRIURKXCX-YPMHNXCESA-N 2 0 286.420 -0.068 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[N@H+](C)C(C)C ZINC000126308047 187231697 /nfs/dbraw/zinc/23/16/97/187231697.db2.gz GYTBEAICIOZXJE-LBPRGKRZSA-N 2 0 272.393 -0.458 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000126467236 187242415 /nfs/dbraw/zinc/24/24/15/187242415.db2.gz YEUSJNZYOABPKX-WZRBSPASSA-N 2 0 284.404 -0.315 20 0 CBADRP O=C(NC[C@H]1C[NH2+]C[C@@H]1O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262425674 295692115 /nfs/dbraw/zinc/69/21/15/295692115.db2.gz SHQFBTISJWETPR-OWTLIXCDSA-N 2 0 267.373 -0.537 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000332305965 282252376 /nfs/dbraw/zinc/25/23/76/282252376.db2.gz IAFNSXWOTRYVNQ-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000573487692 334941523 /nfs/dbraw/zinc/94/15/23/334941523.db2.gz JMPYBQGVTQBLRW-AEJSXWLSSA-N 2 0 257.334 -0.490 20 0 CBADRP CN1CCN(C(=O)CC[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC000366994591 529823646 /nfs/dbraw/zinc/82/36/46/529823646.db2.gz IMXKCTGVPNBZTO-OKILXGFUSA-N 2 0 280.416 -0.356 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351515927 219110271 /nfs/dbraw/zinc/11/02/71/219110271.db2.gz DOPWLZDGDZBFGH-UPJWGTAASA-N 2 0 294.399 -0.450 20 0 CBADRP CCC[NH+]1CCC(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351524862 219114488 /nfs/dbraw/zinc/11/44/88/219114488.db2.gz SHZGGRXRWREKGY-CYBMUJFWSA-N 2 0 296.415 -0.155 20 0 CBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)c1[nH]nc2c1C[NH2+]CC2 ZINC000368377630 295710943 /nfs/dbraw/zinc/71/09/43/295710943.db2.gz NFJMQTCJDCMYDW-LLVKDONJSA-N 2 0 275.356 -0.073 20 0 CBADRP C[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000351532365 219117774 /nfs/dbraw/zinc/11/77/74/219117774.db2.gz GJOYEDRBTFSWOQ-STQMWFEESA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351535224 219118006 /nfs/dbraw/zinc/11/80/06/219118006.db2.gz DPBKMQWNIJGLFZ-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351535227 219118117 /nfs/dbraw/zinc/11/81/17/219118117.db2.gz DPBKMQWNIJGLFZ-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351561546 219126302 /nfs/dbraw/zinc/12/63/02/219126302.db2.gz YYMLBDXWDKHBEI-RTXFEEFZSA-N 2 0 294.399 -0.547 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351552428 219124670 /nfs/dbraw/zinc/12/46/70/219124670.db2.gz ALQRACFNGFPDAD-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351557706 219125085 /nfs/dbraw/zinc/12/50/85/219125085.db2.gz IIHCHDWDLGHDKQ-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[N@@H+]1CCC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351557936 219125108 /nfs/dbraw/zinc/12/51/08/219125108.db2.gz QMDKPSTVTPVRNU-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C(C)(C)C[NH+](C)C ZINC000351559706 219126655 /nfs/dbraw/zinc/12/66/55/219126655.db2.gz VKBXPARGTMZRIU-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351560321 219127455 /nfs/dbraw/zinc/12/74/55/219127455.db2.gz RKERPFSGBFQHNF-NWDGAFQWSA-N 2 0 282.388 -0.687 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351569027 219129451 /nfs/dbraw/zinc/12/94/51/219129451.db2.gz NJRXRJWRYGYHOY-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP CC(C)C[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000351586924 219135515 /nfs/dbraw/zinc/13/55/15/219135515.db2.gz ZUHMKRUIIHSPQE-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@H]1CCN(C2CC2)C1 ZINC000262067684 282398943 /nfs/dbraw/zinc/39/89/43/282398943.db2.gz JQONSCFGSZNJQX-AWEZNQCLSA-N 2 0 280.416 -0.023 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000573699227 334959258 /nfs/dbraw/zinc/95/92/58/334959258.db2.gz FEPJYHOUDJZYOY-LVEVGFFFSA-N 2 0 255.362 -0.005 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000351853185 219226321 /nfs/dbraw/zinc/22/63/21/219226321.db2.gz OERWMTWVSIMAIB-NWDGAFQWSA-N 2 0 255.362 -0.096 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000351855832 219228038 /nfs/dbraw/zinc/22/80/38/219228038.db2.gz UANYRTXTSOGWMP-WDEREUQCSA-N 2 0 263.407 -0.063 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424165576 290827793 /nfs/dbraw/zinc/82/77/93/290827793.db2.gz GBRNQCUHQISLSN-NXEZZACHSA-N 2 0 266.349 -0.460 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000423299923 290833780 /nfs/dbraw/zinc/83/37/80/290833780.db2.gz CSCQTUSXNRETSC-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP CN(C(=O)C[C@@H]1COCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000128832669 187393725 /nfs/dbraw/zinc/39/37/25/187393725.db2.gz NABZKKOKSLKFKA-LLVKDONJSA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)CNC(=O)C[NH3+])c1ccsc1 ZINC000274466276 352538320 /nfs/dbraw/zinc/53/83/20/352538320.db2.gz WKCMIAQGOPEWGM-JTQLQIEISA-N 2 0 284.385 -0.458 20 0 CBADRP C[C@](C[NH3+])(NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000573803067 334967304 /nfs/dbraw/zinc/96/73/04/334967304.db2.gz DOUHDLFOLVKWKZ-GXFFZTMASA-N 2 0 268.361 -0.902 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000576466543 335207760 /nfs/dbraw/zinc/20/77/60/335207760.db2.gz MRBRFSBIJVVLPJ-UHFFFAOYSA-N 2 0 255.362 -0.040 20 0 CBADRP CC[C@]1(C(=O)NCCN2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000128883340 187395525 /nfs/dbraw/zinc/39/55/25/187395525.db2.gz FDYQYHMYVRLITO-CQSZACIVSA-N 2 0 268.405 -0.118 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)CNC(=O)C[NH3+])c1ccsc1 ZINC000274466277 352538826 /nfs/dbraw/zinc/53/88/26/352538826.db2.gz WKCMIAQGOPEWGM-SNVBAGLBSA-N 2 0 284.385 -0.458 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000352003375 219283925 /nfs/dbraw/zinc/28/39/25/219283925.db2.gz LQNBRIAGCWIJDJ-NSHDSACASA-N 2 0 272.393 -0.280 20 0 CBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000352003310 219283984 /nfs/dbraw/zinc/28/39/84/219283984.db2.gz LCFQWBFGBLVEKW-AAEUAGOBSA-N 2 0 286.420 -0.082 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000352003374 219284796 /nfs/dbraw/zinc/28/47/96/219284796.db2.gz LQNBRIAGCWIJDJ-LLVKDONJSA-N 2 0 272.393 -0.280 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[N@H+](CC)CC1 ZINC000339587477 215260350 /nfs/dbraw/zinc/26/03/50/215260350.db2.gz NVFBPHONIRDNAC-UHFFFAOYSA-N 2 0 298.431 -0.001 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000091300381 180127757 /nfs/dbraw/zinc/12/77/57/180127757.db2.gz WFNRVPCCBONVLC-WCQYABFASA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(CCC(=O)N2CC[NH2+]CC2)C1 ZINC000091393953 180145656 /nfs/dbraw/zinc/14/56/56/180145656.db2.gz XKHNAUWUUKDNPJ-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000092495990 180397747 /nfs/dbraw/zinc/39/77/47/180397747.db2.gz KQODZQJKRSNFNB-UHFFFAOYSA-N 2 0 299.415 -0.207 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC000573842904 334970913 /nfs/dbraw/zinc/97/09/13/334970913.db2.gz CFKJCBLCXFUZPI-STQMWFEESA-N 2 0 268.405 -0.262 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC000573842900 334970993 /nfs/dbraw/zinc/97/09/93/334970993.db2.gz CFKJCBLCXFUZPI-OLZOCXBDSA-N 2 0 268.405 -0.262 20 0 CBADRP CC(=O)N1CCN(C(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000110649525 186309581 /nfs/dbraw/zinc/30/95/81/186309581.db2.gz OWOYOGWCKMBNKS-GFCCVEGCSA-N 2 0 296.415 -0.264 20 0 CBADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)CNC(=O)C[NH3+] ZINC000037801544 351405542 /nfs/dbraw/zinc/40/55/42/351405542.db2.gz HAXLWAYARZDPMC-UHFFFAOYSA-N 2 0 292.383 -0.348 20 0 CBADRP CC(C)C[NH+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000037821704 351409080 /nfs/dbraw/zinc/40/90/80/351409080.db2.gz ABUFQVCVMJCGNO-RYUDHWBXSA-N 2 0 255.362 -0.491 20 0 CBADRP C[NH2+]CC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000040770566 351417607 /nfs/dbraw/zinc/41/76/07/351417607.db2.gz UBOZMWNROWXQDO-LBPRGKRZSA-N 2 0 256.394 -0.406 20 0 CBADRP CC(C)[C@@H](CNC(=O)[C@@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000040770532 351417943 /nfs/dbraw/zinc/41/79/43/351417943.db2.gz GKNDJSKGRRQDLR-VXGBXAGGSA-N 2 0 256.394 -0.278 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000040829709 351418678 /nfs/dbraw/zinc/41/86/78/351418678.db2.gz MNOYAEMEKGZQNF-VXGBXAGGSA-N 2 0 255.362 -0.300 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000040808749 351419261 /nfs/dbraw/zinc/41/92/61/351419261.db2.gz GNTQRJNDLRSESO-CYBMUJFWSA-N 2 0 268.405 -0.260 20 0 CBADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)NC1CC1 ZINC000053298990 351526095 /nfs/dbraw/zinc/52/60/95/351526095.db2.gz BDSXZGHJVVBZAW-UHFFFAOYSA-N 2 0 268.361 -0.981 20 0 CBADRP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298904 351526528 /nfs/dbraw/zinc/52/65/28/351526528.db2.gz ZIUUGTDGOHTEBA-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)C1CCOCC1 ZINC000053298679 351526576 /nfs/dbraw/zinc/52/65/76/351526576.db2.gz DUTHZAUDGRVCOC-UHFFFAOYSA-N 2 0 255.362 -0.081 20 0 CBADRP COCCC[N@H+](CCOC)CCC(=O)N1CC[NH2+]CC1 ZINC000053298884 351526600 /nfs/dbraw/zinc/52/66/00/351526600.db2.gz SKHWDQVQTGBEDO-UHFFFAOYSA-N 2 0 287.404 -0.207 20 0 CBADRP NC(=O)[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298874 351526897 /nfs/dbraw/zinc/52/68/97/351526897.db2.gz ODVLZBHPLZNDSN-LLVKDONJSA-N 2 0 268.361 -0.852 20 0 CBADRP C[NH2+][C@@H](C)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000054076101 351532634 /nfs/dbraw/zinc/53/26/34/351532634.db2.gz XWJLMWCVAGBLKT-QWHCGFSZSA-N 2 0 270.421 -0.018 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055085696 351541346 /nfs/dbraw/zinc/54/13/46/351541346.db2.gz GCWCQCHPCFSUAT-CHWSQXEVSA-N 2 0 268.405 -0.133 20 0 CBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[NH+](C2CCCC2)CC1 ZINC000052062714 351517234 /nfs/dbraw/zinc/51/72/34/351517234.db2.gz HMUWQSTWEJFREW-CHWSQXEVSA-N 2 0 267.373 -0.204 20 0 CBADRP C[N@@H+](CC(=O)N1CC[NH2+]CC1)CC1CCOCC1 ZINC000052174666 351518217 /nfs/dbraw/zinc/51/82/17/351518217.db2.gz JUYUCBWPAAQVIO-UHFFFAOYSA-N 2 0 255.362 -0.223 20 0 CBADRP CCCNC(=O)CN(C)C(=O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000063165926 351579151 /nfs/dbraw/zinc/57/91/51/351579151.db2.gz DAOADTPHQKGBNJ-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCn2cccn2)C1 ZINC000063179950 351580464 /nfs/dbraw/zinc/58/04/64/351580464.db2.gz NIYQAJDPOPOXMK-LBPRGKRZSA-N 2 0 265.361 -0.330 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000063179686 351580734 /nfs/dbraw/zinc/58/07/34/351580734.db2.gz XJGMQKISMZVZSU-LBPRGKRZSA-N 2 0 282.388 -0.604 20 0 CBADRP CNC(=O)NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200023 351582075 /nfs/dbraw/zinc/58/20/75/351582075.db2.gz YEWCQKXBHSRBRM-NSHDSACASA-N 2 0 268.361 -0.094 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000067572891 351608224 /nfs/dbraw/zinc/60/82/24/351608224.db2.gz XKUPKABPFCPANS-UHFFFAOYSA-N 2 0 284.404 -0.441 20 0 CBADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000070149703 351636012 /nfs/dbraw/zinc/63/60/12/351636012.db2.gz YBAIZPMADMJGLX-JTQLQIEISA-N 2 0 254.334 -0.259 20 0 CBADRP CNC(=O)NC(=O)CC[NH+]1CCC(CC[NH3+])CC1 ZINC000070188497 351636910 /nfs/dbraw/zinc/63/69/10/351636910.db2.gz DVXYCSOTBVLOPX-UHFFFAOYSA-N 2 0 256.350 -0.107 20 0 CBADRP CN1CC[C@@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000071184668 351643226 /nfs/dbraw/zinc/64/32/26/351643226.db2.gz GBKRXNILBLYZMU-WDEREUQCSA-N 2 0 268.361 -0.996 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000068807901 351622154 /nfs/dbraw/zinc/62/21/54/351622154.db2.gz OMAADEHKVOOILV-YPMHNXCESA-N 2 0 254.378 -0.652 20 0 CBADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000068807494 351622584 /nfs/dbraw/zinc/62/25/84/351622584.db2.gz TUTQCKZGCZAJKM-YPMHNXCESA-N 2 0 256.394 -0.134 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000068807908 351623947 /nfs/dbraw/zinc/62/39/47/351623947.db2.gz OMAADEHKVOOILV-AAEUAGOBSA-N 2 0 254.378 -0.652 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000068807918 351624041 /nfs/dbraw/zinc/62/40/41/351624041.db2.gz LWLLWZZWHIEUTI-CABCVRRESA-N 2 0 290.411 -0.082 20 0 CBADRP CN1CC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=O ZINC000077839323 351683656 /nfs/dbraw/zinc/68/36/56/351683656.db2.gz HPHLJAGOPOJAMB-GFCCVEGCSA-N 2 0 299.419 -0.648 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@@H](C)C(=O)NC)CC1 ZINC000081526937 351708008 /nfs/dbraw/zinc/70/80/08/351708008.db2.gz ORXFBPQZMTXVPK-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP COC[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000081066035 351703342 /nfs/dbraw/zinc/70/33/42/351703342.db2.gz MKJAHDQEDRPWAY-GFCCVEGCSA-N 2 0 255.362 -0.223 20 0 CBADRP CN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000085363295 351719660 /nfs/dbraw/zinc/71/96/60/351719660.db2.gz RBEOTMROKIPFBE-LBPRGKRZSA-N 2 0 284.404 -0.584 20 0 CBADRP Cn1cncc1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000090168729 351737455 /nfs/dbraw/zinc/73/74/55/351737455.db2.gz GUEMOULUNIORKQ-LLVKDONJSA-N 2 0 265.361 -0.293 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1CCC[NH2+]C1 ZINC000091668071 351745386 /nfs/dbraw/zinc/74/53/86/351745386.db2.gz LITFGCKVBFJIQI-JHJVBQTASA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1CCC[NH2+]1 ZINC000091668310 351746441 /nfs/dbraw/zinc/74/64/41/351746441.db2.gz PZKHANZTGZKQJC-WOPDTQHZSA-N 2 0 253.346 -0.282 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC[N@H+](CCOC)CC1 ZINC000092496071 351750075 /nfs/dbraw/zinc/75/00/75/351750075.db2.gz YAQWSURRGRTCLG-UHFFFAOYSA-N 2 0 273.377 -0.597 20 0 CBADRP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000111612157 351804118 /nfs/dbraw/zinc/80/41/18/351804118.db2.gz OCPTYGFZKSDLCV-RKDXNWHRSA-N 2 0 256.350 -0.110 20 0 CBADRP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000093698442 351761079 /nfs/dbraw/zinc/76/10/79/351761079.db2.gz NTMGLOURUDCASX-RWMBFGLXSA-N 2 0 287.429 -0.191 20 0 CBADRP CS(=O)(=O)N1CCC[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000093698441 351761367 /nfs/dbraw/zinc/76/13/67/351761367.db2.gz NTMGLOURUDCASX-UPJWGTAASA-N 2 0 287.429 -0.191 20 0 CBADRP CNC(=O)NC(=O)CC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072772 351763640 /nfs/dbraw/zinc/76/36/40/351763640.db2.gz ZMZPRIQVRSMWHM-UHFFFAOYSA-N 2 0 286.376 -0.338 20 0 CBADRP COC[C@@H](C)S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000117918039 351827218 /nfs/dbraw/zinc/82/72/18/351827218.db2.gz PMWKQUMDPPICOV-GFCCVEGCSA-N 2 0 295.449 -0.224 20 0 CBADRP CC[C@@]1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC[NH2+]C1 ZINC000119223835 351831881 /nfs/dbraw/zinc/83/18/81/351831881.db2.gz LEYXJXUNXXQBQJ-IUODEOHRSA-N 2 0 296.415 -0.310 20 0 CBADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC000113656066 351815127 /nfs/dbraw/zinc/81/51/27/351815127.db2.gz BJEBYEYMIRAFIK-SECBINFHSA-N 2 0 256.350 -0.109 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N1CCN(C2CC2)CC1 ZINC000129040053 351867633 /nfs/dbraw/zinc/86/76/33/351867633.db2.gz CKZQBCVNTHYWSF-NSHDSACASA-N 2 0 253.346 -0.329 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NCC[NH+]1CCCCC1 ZINC000129143862 351868305 /nfs/dbraw/zinc/86/83/05/351868305.db2.gz ODQMVZCTTNUPMX-LBPRGKRZSA-N 2 0 255.362 -0.033 20 0 CBADRP C[C@H]1C[C@@H](N(C)CC(=O)N2CCNC(=O)C2)CC[N@@H+]1C ZINC000123837787 187111161 /nfs/dbraw/zinc/11/11/61/187111161.db2.gz XIOAMPSUSGEERT-RYUDHWBXSA-N 2 0 282.388 -0.641 20 0 CBADRP O=C(C[NH2+]C1CC1)NCCCC[NH+]1CCOCC1 ZINC000154628528 351947349 /nfs/dbraw/zinc/94/73/49/351947349.db2.gz CMICSLJMSZBLEU-UHFFFAOYSA-N 2 0 255.362 -0.033 20 0 CBADRP COC1(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC[NH2+]CC1 ZINC000154014752 351945240 /nfs/dbraw/zinc/94/52/40/351945240.db2.gz ZYWLAQHKWKQVTK-PHIMTYICSA-N 2 0 255.362 -0.036 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000133403641 351898670 /nfs/dbraw/zinc/89/86/70/351898670.db2.gz LSFXRJVXWRCPPJ-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000133404217 351898824 /nfs/dbraw/zinc/89/88/24/351898824.db2.gz LSFXRJVXWRCPPJ-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000133403998 351898945 /nfs/dbraw/zinc/89/89/45/351898945.db2.gz LSFXRJVXWRCPPJ-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@H](CNC(=O)NCC[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000133756456 351900671 /nfs/dbraw/zinc/90/06/71/351900671.db2.gz FGWWYYFGAMJTNL-CYBMUJFWSA-N 2 0 285.436 -0.269 20 0 CBADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CC[NH2+]CC2)C1(C)C ZINC000133966594 351903073 /nfs/dbraw/zinc/90/30/73/351903073.db2.gz JJLJLGWHXZVFKS-GXFFZTMASA-N 2 0 255.362 -0.049 20 0 CBADRP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CC[NH2+]CC2)C1(C)C ZINC000133966178 351903493 /nfs/dbraw/zinc/90/34/93/351903493.db2.gz JJLJLGWHXZVFKS-GWCFXTLKSA-N 2 0 255.362 -0.049 20 0 CBADRP Cc1ccc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])c(=O)[nH]1 ZINC000156792028 351953770 /nfs/dbraw/zinc/95/37/70/351953770.db2.gz ZYVHDYFWNXMZBP-JTQLQIEISA-N 2 0 264.329 -0.602 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000157309083 351955500 /nfs/dbraw/zinc/95/55/00/351955500.db2.gz XLYYMNIGQORCQE-QWHCGFSZSA-N 2 0 268.405 -0.038 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCCC[NH3+] ZINC000160355148 351969884 /nfs/dbraw/zinc/96/98/84/351969884.db2.gz NUISBJLCRBCTAP-BREBYQMCSA-N 2 0 255.362 -0.016 20 0 CBADRP C[C@@H]([NH3+])C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000166454536 351986794 /nfs/dbraw/zinc/98/67/94/351986794.db2.gz KYSQMOYROAGMBM-LLVKDONJSA-N 2 0 292.383 -0.059 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000166749526 351987356 /nfs/dbraw/zinc/98/73/56/351987356.db2.gz RQWIZHPXMBVTAE-OLZOCXBDSA-N 2 0 294.399 -0.639 20 0 CBADRP C[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000167212516 351988646 /nfs/dbraw/zinc/98/86/46/351988646.db2.gz YDUYJYODIFSLOO-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP [NH3+]C1(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000167407899 351989574 /nfs/dbraw/zinc/98/95/74/351989574.db2.gz RPGJUWOWTPEPQX-UHFFFAOYSA-N 2 0 280.372 -0.756 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CC[N@@H+]1C[C@@H](C)O ZINC000168011685 351991623 /nfs/dbraw/zinc/99/16/23/351991623.db2.gz ZQDIGYUFGXQDJA-UPJWGTAASA-N 2 0 285.388 -0.722 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[NH2+]2)CCOCC1 ZINC000168726923 351995718 /nfs/dbraw/zinc/99/57/18/351995718.db2.gz PGMDLALHWPFIAI-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP CN1CCO[C@@H](C(=O)N2CCN(CC(C)(C)O)CC2)C1 ZINC000174672521 352050038 /nfs/dbraw/zinc/05/00/38/352050038.db2.gz CQMFAZCBHUUVRX-GFCCVEGCSA-N 2 0 285.388 -0.768 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCOCCO ZINC000174724887 352051042 /nfs/dbraw/zinc/05/10/42/352051042.db2.gz WMQQHJAXMNMUHW-UHFFFAOYSA-N 2 0 259.394 -0.435 20 0 CBADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000178815999 352083406 /nfs/dbraw/zinc/08/34/06/352083406.db2.gz OSZVBGURYGBIQJ-WOPDTQHZSA-N 2 0 255.362 -0.084 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000178831056 352083645 /nfs/dbraw/zinc/08/36/45/352083645.db2.gz OOVSNIFJNUFONZ-CQSZACIVSA-N 2 0 286.395 -0.170 20 0 CBADRP [NH3+]CCC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000178794755 352083776 /nfs/dbraw/zinc/08/37/76/352083776.db2.gz VZTWPBUARIMXCY-UHFFFAOYSA-N 2 0 255.362 -0.094 20 0 CBADRP O=C([C@@H]1CCC[NH2+]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178844801 352083821 /nfs/dbraw/zinc/08/38/21/352083821.db2.gz LAGJEMDAMJXRRF-STQMWFEESA-N 2 0 267.373 -0.081 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000178877559 352084719 /nfs/dbraw/zinc/08/47/19/352084719.db2.gz RQMNTPSSCKZQRK-UONOGXRCSA-N 2 0 282.432 -0.014 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000178880583 352085050 /nfs/dbraw/zinc/08/50/50/352085050.db2.gz FZKYIGFZKNFXOR-STQMWFEESA-N 2 0 268.405 -0.262 20 0 CBADRP COCC(=O)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178957144 352086462 /nfs/dbraw/zinc/08/64/62/352086462.db2.gz LDHNYQWJWQTCGM-UHFFFAOYSA-N 2 0 255.362 -0.223 20 0 CBADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCC[NH2+]CCOC)C1(C)C ZINC000188286339 352150769 /nfs/dbraw/zinc/15/07/69/352150769.db2.gz NPUIOIFBDMZTIS-FZMZJTMJSA-N 2 0 287.404 -0.129 20 0 CBADRP COCC[NH+]1CCN(CCN2CCOC[C@H]2C)CC1 ZINC000191422522 352188390 /nfs/dbraw/zinc/18/83/90/352188390.db2.gz IIJBNCSAXPIHDI-CQSZACIVSA-N 2 0 271.405 -0.029 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188074456 352147640 /nfs/dbraw/zinc/14/76/40/352147640.db2.gz WGMVCOMLDUOPCI-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188163170 352148458 /nfs/dbraw/zinc/14/84/58/352148458.db2.gz YJUMNHLTQHBMIN-NWDGAFQWSA-N 2 0 271.361 -0.798 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[N@@H+]1C[C@@H](C)O ZINC000188187605 352148564 /nfs/dbraw/zinc/14/85/64/352148564.db2.gz ZQDIGYUFGXQDJA-JHJVBQTASA-N 2 0 285.388 -0.722 20 0 CBADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000188235041 352149512 /nfs/dbraw/zinc/14/95/12/352149512.db2.gz OSZVBGURYGBIQJ-GRYCIOLGSA-N 2 0 255.362 -0.084 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1=O ZINC000195236705 352223977 /nfs/dbraw/zinc/22/39/77/352223977.db2.gz ANZSVYKJLVMHCW-UPJWGTAASA-N 2 0 294.399 -0.926 20 0 CBADRP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000195519128 352227802 /nfs/dbraw/zinc/22/78/02/352227802.db2.gz ZYSFHKAPBYPGBS-UHFFFAOYSA-N 2 0 296.415 -0.345 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000227373481 352257492 /nfs/dbraw/zinc/25/74/92/352257492.db2.gz XFTWGCZRGYWHIY-STQMWFEESA-N 2 0 286.420 -0.652 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000232114751 352278991 /nfs/dbraw/zinc/27/89/91/352278991.db2.gz LPMWBSBNJMJRHV-CMPLNLGQSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)CCOCCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000234262286 352281619 /nfs/dbraw/zinc/28/16/19/352281619.db2.gz RZCVATPDAXBVOS-NSHDSACASA-N 2 0 259.350 -0.941 20 0 CBADRP C[NH+](C)CCOCCNC(=O)c1c[nH+]ccc1N ZINC000234239241 352282173 /nfs/dbraw/zinc/28/21/73/352282173.db2.gz SUTZOFDQEQLIKZ-UHFFFAOYSA-N 2 0 252.318 -0.028 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000236758053 352292861 /nfs/dbraw/zinc/29/28/61/352292861.db2.gz WZKOTVQKYJKXDZ-STQMWFEESA-N 2 0 270.421 -0.031 20 0 CBADRP CCC[NH2+]CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000236804631 352294027 /nfs/dbraw/zinc/29/40/27/352294027.db2.gz UYIQGGBHNPIZHK-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)CC[NH3+])CC1 ZINC000236838233 352294790 /nfs/dbraw/zinc/29/47/90/352294790.db2.gz PUBIFAFHBBCCPR-UHFFFAOYSA-N 2 0 270.377 -0.652 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000236845467 352295354 /nfs/dbraw/zinc/29/53/54/352295354.db2.gz NPCUFSDXIUPLCW-STQMWFEESA-N 2 0 270.421 -0.016 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2CC[NH2+]C2)n1 ZINC000236998880 352296979 /nfs/dbraw/zinc/29/69/79/352296979.db2.gz QZDDKTLRIKJWID-SNVBAGLBSA-N 2 0 251.334 -0.007 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000237046820 352298682 /nfs/dbraw/zinc/29/86/82/352298682.db2.gz XXQHLJJAVDTPTG-WOPDTQHZSA-N 2 0 255.362 -0.036 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000237137759 352299727 /nfs/dbraw/zinc/29/97/27/352299727.db2.gz TVKALNYNSVJGJU-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCC[NH2+]C2)CC1=O ZINC000237162560 352300196 /nfs/dbraw/zinc/30/01/96/352300196.db2.gz AGMPSHYLEIJVEF-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000237190241 352301493 /nfs/dbraw/zinc/30/14/93/352301493.db2.gz MAWCUCMIPJSVLB-NSHDSACASA-N 2 0 259.350 -0.941 20 0 CBADRP C[NH2+]CC(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000237216981 352302645 /nfs/dbraw/zinc/30/26/45/352302645.db2.gz INKCAVNVUUOOOG-UHFFFAOYSA-N 2 0 256.394 -0.404 20 0 CBADRP COCC[NH2+]CCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237283425 352303055 /nfs/dbraw/zinc/30/30/55/352303055.db2.gz SZPRNHHZSFSWKD-SNVBAGLBSA-N 2 0 261.391 -0.566 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)NC(N)=O)[C@@H](C)C1 ZINC000245441257 352320106 /nfs/dbraw/zinc/32/01/06/352320106.db2.gz VHEJIWIAZNCXFO-UWVGGRQHSA-N 2 0 256.350 -0.157 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)[C@@H](C)C[NH2+]1 ZINC000237425391 352304963 /nfs/dbraw/zinc/30/49/63/352304963.db2.gz YFCDKAYNMWAHKE-WOPDTQHZSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H]([NH3+])C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000237468098 352306043 /nfs/dbraw/zinc/30/60/43/352306043.db2.gz BUFCHZOHGNETFI-LLVKDONJSA-N 2 0 277.372 -0.203 20 0 CBADRP C[C@@H]([NH3+])C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000237458141 352306340 /nfs/dbraw/zinc/30/63/40/352306340.db2.gz FSERQMVZJQSSCJ-LLVKDONJSA-N 2 0 256.394 -0.277 20 0 CBADRP C[C@@]1(C(=O)NCCCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000237492492 352306500 /nfs/dbraw/zinc/30/65/00/352306500.db2.gz YKLHKFKUKJHNEN-CYBMUJFWSA-N 2 0 254.378 -0.603 20 0 CBADRP C[C@](C[NH3+])(NC(=O)C[NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000237594195 352307398 /nfs/dbraw/zinc/30/73/98/352307398.db2.gz CQQADWJEPQVYRM-WCQYABFASA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@H]1CCC[NH2+]C1 ZINC000237901698 352310794 /nfs/dbraw/zinc/31/07/94/352310794.db2.gz SCRNYTZTCGTJQJ-RYUDHWBXSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000238099976 352314008 /nfs/dbraw/zinc/31/40/08/352314008.db2.gz HAUJNSHTKXXTGL-CYBMUJFWSA-N 2 0 294.399 -0.638 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC000245472501 352321550 /nfs/dbraw/zinc/32/15/50/352321550.db2.gz ZCUUJVFMRSFXIA-NWDGAFQWSA-N 2 0 255.362 -0.225 20 0 CBADRP CN1CCO[C@H](C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000246105278 352328012 /nfs/dbraw/zinc/32/80/12/352328012.db2.gz HTNXTOMCUIUVHQ-NEPJUHHUSA-N 2 0 255.362 -0.130 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000250418936 352371947 /nfs/dbraw/zinc/37/19/47/352371947.db2.gz YSGBRRRCNODYAZ-KBPBESRZSA-N 2 0 270.421 -0.722 20 0 CBADRP Cn1c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc(=O)n(C)c1=O ZINC000252861954 352380214 /nfs/dbraw/zinc/38/02/14/352380214.db2.gz NTTFLMMHDFFPDQ-WCFLWFBJSA-N 2 0 292.383 -0.357 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000253165907 352381835 /nfs/dbraw/zinc/38/18/35/352381835.db2.gz ZOGNHFSEZRDIEU-AGIUHOORSA-N 2 0 268.405 -0.264 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000261590206 352389580 /nfs/dbraw/zinc/38/95/80/352389580.db2.gz LDGDBHAOOAXXGG-ZDUSSCGKSA-N 2 0 268.405 -0.260 20 0 CBADRP O=C1NC(=O)[C@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)N1 ZINC000261935944 352401191 /nfs/dbraw/zinc/40/11/91/352401191.db2.gz MBWGSJZHXKUGDN-CYBMUJFWSA-N 2 0 266.345 -0.340 20 0 CBADRP NC(=O)C[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262221113 352411621 /nfs/dbraw/zinc/41/16/21/352411621.db2.gz UNOGPQPVOQIHHE-GFCCVEGCSA-N 2 0 282.388 -0.462 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262252705 352412718 /nfs/dbraw/zinc/41/27/18/352412718.db2.gz WZNMXPKQVUWBJF-GFCCVEGCSA-N 2 0 282.388 -0.639 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000262313942 352415815 /nfs/dbraw/zinc/41/58/15/352415815.db2.gz BTHMZXBSOPMGRE-UTUOFQBUSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000262336337 352417105 /nfs/dbraw/zinc/41/71/05/352417105.db2.gz HIOFTCFWXKVGKX-LBPRGKRZSA-N 2 0 270.421 -0.029 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262366931 352417894 /nfs/dbraw/zinc/41/78/94/352417894.db2.gz VSZPRCCBQOOTGH-MOLYVOAJSA-N 2 0 267.373 -0.396 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262366935 352418137 /nfs/dbraw/zinc/41/81/37/352418137.db2.gz VSZPRCCBQOOTGH-WJTVCTBASA-N 2 0 267.373 -0.396 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000262380540 352419209 /nfs/dbraw/zinc/41/92/09/352419209.db2.gz MVVWFPDVWBGYKN-NWDGAFQWSA-N 2 0 255.362 -0.238 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262367259 352419276 /nfs/dbraw/zinc/41/92/76/352419276.db2.gz JNGOSWBUICJCFQ-XQHKEYJVSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@H](CNC(=O)CNC(=O)C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000262369561 352419587 /nfs/dbraw/zinc/41/95/87/352419587.db2.gz IJONZSULVGTCAK-GFCCVEGCSA-N 2 0 292.383 -0.302 20 0 CBADRP [NH3+]CC(=O)NCC(=O)NCCCCC[NH+]1CCCCC1 ZINC000262402940 352420550 /nfs/dbraw/zinc/42/05/50/352420550.db2.gz NZHTXFUWUBMGNQ-UHFFFAOYSA-N 2 0 284.404 -0.166 20 0 CBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CNC(=O)C[NH3+])C1 ZINC000262419255 352421632 /nfs/dbraw/zinc/42/16/32/352421632.db2.gz QTEMPTQJJAYNAM-BETUJISGSA-N 2 0 298.431 -0.064 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CNC(=O)C[NH3+] ZINC000262442673 352421675 /nfs/dbraw/zinc/42/16/75/352421675.db2.gz UVMWCWZGKGXRLX-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000262457115 352422308 /nfs/dbraw/zinc/42/23/08/352422308.db2.gz FJOTUMCUSPEADX-MGPQQGTHSA-N 2 0 299.415 -0.332 20 0 CBADRP CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000262481965 352423392 /nfs/dbraw/zinc/42/33/92/352423392.db2.gz YBFZLAGIQTVUHV-OLZOCXBDSA-N 2 0 269.389 -0.053 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262490217 352423592 /nfs/dbraw/zinc/42/35/92/352423592.db2.gz ZFSUNTGFOHOBJT-SRVKXCTJSA-N 2 0 255.362 -0.491 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000262497671 352424296 /nfs/dbraw/zinc/42/42/96/352424296.db2.gz IJGZMTITYRTIMA-QWRGUYRKSA-N 2 0 282.388 -0.608 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[NH2+]C)CC1=O ZINC000262568147 352426407 /nfs/dbraw/zinc/42/64/07/352426407.db2.gz FPKRHJNHQXGFPT-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000262651523 352429397 /nfs/dbraw/zinc/42/93/97/352429397.db2.gz AMHORJZCAUWCKI-KBPBESRZSA-N 2 0 299.415 -0.066 20 0 CBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000262651525 352429422 /nfs/dbraw/zinc/42/94/22/352429422.db2.gz AMHORJZCAUWCKI-KGLIPLIRSA-N 2 0 299.415 -0.066 20 0 CBADRP C[NH+]1CCN(c2cc(CNC(=O)C3([NH3+])CC3)ccn2)CC1 ZINC000262715179 352430998 /nfs/dbraw/zinc/43/09/98/352430998.db2.gz URPORRNNERLUOE-UHFFFAOYSA-N 2 0 289.383 -0.059 20 0 CBADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000263077870 352437868 /nfs/dbraw/zinc/43/78/68/352437868.db2.gz XEVDVASKHNFMRZ-OCCSQVGLSA-N 2 0 268.405 -0.085 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000263226944 352440262 /nfs/dbraw/zinc/44/02/62/352440262.db2.gz GSWMGCNXKOQNCA-OCCSQVGLSA-N 2 0 298.431 -0.066 20 0 CBADRP COc1cc[nH+]c(N2CCN(C(=O)[C@@H](C[NH3+])OC)CC2)c1 ZINC000290262490 352674064 /nfs/dbraw/zinc/67/40/64/352674064.db2.gz XQQVQOLBNWOIKH-GFCCVEGCSA-N 2 0 294.355 -0.288 20 0 CBADRP O[C@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H](O)C2)C1 ZINC000304786582 352747117 /nfs/dbraw/zinc/74/71/17/352747117.db2.gz IMNWMMGSUDJJFV-KBPBESRZSA-N 2 0 272.389 -0.084 20 0 CBADRP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000310133665 352758222 /nfs/dbraw/zinc/75/82/22/352758222.db2.gz IHWQBVNQFXIYIT-NSHDSACASA-N 2 0 263.407 -0.061 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H]2CC[N@H+](C)C2)CC[NH2+]C1 ZINC000310811038 352762079 /nfs/dbraw/zinc/76/20/79/352762079.db2.gz GIMSDVMXJGNEDB-WCQYABFASA-N 2 0 255.362 -0.320 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]2CC[N@H+](C)C2)CC[NH2+]C1 ZINC000310811040 352762256 /nfs/dbraw/zinc/76/22/56/352762256.db2.gz GIMSDVMXJGNEDB-YPMHNXCESA-N 2 0 255.362 -0.320 20 0 CBADRP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000310920401 352763169 /nfs/dbraw/zinc/76/31/69/352763169.db2.gz SHRJPYPXXLBILT-AGIUHOORSA-N 2 0 260.378 -0.372 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[NH+](C)CC1 ZINC000310961255 352764259 /nfs/dbraw/zinc/76/42/59/352764259.db2.gz AQQNZHZRSUGJHV-CYBMUJFWSA-N 2 0 259.394 -0.437 20 0 CBADRP Cn1nccc1CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000311915483 352772549 /nfs/dbraw/zinc/77/25/49/352772549.db2.gz ARBZICVGCHGHKD-AWEZNQCLSA-N 2 0 263.389 -0.058 20 0 CBADRP C[NH+](C)CC1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000312150288 352774141 /nfs/dbraw/zinc/77/41/41/352774141.db2.gz WTUVLURDHDGKOL-HNNXBMFYSA-N 2 0 285.432 -0.047 20 0 CBADRP [NH3+]CCC[C@H](NC(=O)CNC(=O)C[NH3+])c1ccccc1 ZINC000573919473 334977150 /nfs/dbraw/zinc/97/71/50/334977150.db2.gz MHVCYLXIPPRYDZ-LBPRGKRZSA-N 2 0 278.356 -0.342 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[C@H](C)C[NH2+]1 ZINC000331377074 352910551 /nfs/dbraw/zinc/91/05/51/352910551.db2.gz HHKONHFRLXFXMR-UTUOFQBUSA-N 2 0 294.399 -0.452 20 0 CBADRP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000332101181 352934999 /nfs/dbraw/zinc/93/49/99/352934999.db2.gz QCNSNSGWUCJSRT-QWHCGFSZSA-N 2 0 294.399 -0.497 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@H]1[NH3+] ZINC000331515435 352920834 /nfs/dbraw/zinc/92/08/34/352920834.db2.gz BYBNPHBTVUOGFS-GHMZBOCLSA-N 2 0 282.388 -0.608 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000331523642 352921289 /nfs/dbraw/zinc/92/12/89/352921289.db2.gz RJOCHXRGCXVMLH-GFCCVEGCSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[NH+](CC)CC2)C1 ZINC000331521944 352921720 /nfs/dbraw/zinc/92/17/20/352921720.db2.gz JUGMDFGSTABYOZ-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000331725598 352927466 /nfs/dbraw/zinc/92/74/66/352927466.db2.gz XBHPEQHQRJACIV-AGIUHOORSA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC[NH2+]1 ZINC000332072916 352934139 /nfs/dbraw/zinc/93/41/39/352934139.db2.gz VMSPQGRKRBVGKP-FRRDWIJNSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC[NH2+]1 ZINC000332072918 352934146 /nfs/dbraw/zinc/93/41/46/352934146.db2.gz VMSPQGRKRBVGKP-UPJWGTAASA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332620040 352970284 /nfs/dbraw/zinc/97/02/84/352970284.db2.gz TYUYAQRXEJTZLR-FRRDWIJNSA-N 2 0 294.399 -0.593 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCC(C)(C)[NH3+])CC[C@H]21 ZINC000332725704 352979903 /nfs/dbraw/zinc/97/99/03/352979903.db2.gz PSZSITMGZYRCDL-VXGBXAGGSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000332196662 352939191 /nfs/dbraw/zinc/93/91/91/352939191.db2.gz CMZOTCSBBMUUSY-XQQFMLRXSA-N 2 0 294.399 -0.498 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)C1 ZINC000332196658 352939205 /nfs/dbraw/zinc/93/92/05/352939205.db2.gz CMZOTCSBBMUUSY-UPJWGTAASA-N 2 0 294.399 -0.498 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000332338006 352945003 /nfs/dbraw/zinc/94/50/03/352945003.db2.gz RNYIEBITENNTEP-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000332549179 352964618 /nfs/dbraw/zinc/96/46/18/352964618.db2.gz IKBBWAFGCNSWNR-AGIUHOORSA-N 2 0 294.399 -0.321 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332558550 352965663 /nfs/dbraw/zinc/96/56/63/352965663.db2.gz OTXXNJIJAZLICK-VXGBXAGGSA-N 2 0 280.372 -0.839 20 0 CBADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332577639 352968086 /nfs/dbraw/zinc/96/80/86/352968086.db2.gz ADLJBUVWWGIKGP-QWHCGFSZSA-N 2 0 294.399 -0.367 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000332578333 352968342 /nfs/dbraw/zinc/96/83/42/352968342.db2.gz DOTHSFYGKVYILN-CYBMUJFWSA-N 2 0 294.399 -0.497 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333933178 353014581 /nfs/dbraw/zinc/01/45/81/353014581.db2.gz HLMQVDRPMIDCTD-UONOGXRCSA-N 2 0 295.431 -0.230 20 0 CBADRP CN(C(=O)NCC[N@@H+]1CCCOCC1)C1CC([NH3+])C1 ZINC000333620715 353006124 /nfs/dbraw/zinc/00/61/24/353006124.db2.gz RQFXZVGVSJPVAL-UHFFFAOYSA-N 2 0 270.377 -0.160 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000333777222 353010098 /nfs/dbraw/zinc/01/00/98/353010098.db2.gz DCGPISAXVUDIAN-YNEHKIRRSA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(CCO)C[C@@H]1C ZINC000333764668 353010204 /nfs/dbraw/zinc/01/02/04/353010204.db2.gz BBMWBYGZYSUPCO-AGIUHOORSA-N 2 0 284.404 -0.308 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000333850045 353011485 /nfs/dbraw/zinc/01/14/85/353011485.db2.gz PXJFBGJPOONWGU-JHJVBQTASA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333840153 353011883 /nfs/dbraw/zinc/01/18/83/353011883.db2.gz OCBVTSYEZPYNBM-WUHRBBMRSA-N 2 0 296.415 -0.309 20 0 CBADRP C[C@@H]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H]1C[NH3+] ZINC000333864692 353012797 /nfs/dbraw/zinc/01/27/97/353012797.db2.gz STMYDIZGPUYVSL-JCIQBVFBSA-N 2 0 252.362 -0.170 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)C[C@@H]1[NH+](C)C ZINC000333861127 353013032 /nfs/dbraw/zinc/01/30/32/353013032.db2.gz SCFRCTYKEKHGLH-UPJWGTAASA-N 2 0 284.404 -0.044 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333893043 353013608 /nfs/dbraw/zinc/01/36/08/353013608.db2.gz YNEXPIQIBRRBPO-QCNOEVLYSA-N 2 0 252.362 -0.012 20 0 CBADRP CN(C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1C[NH2+]C[C@@H]1O ZINC000333904430 353013785 /nfs/dbraw/zinc/01/37/85/353013785.db2.gz CGWSKOVXLTUKDX-CYDGBPFRSA-N 2 0 282.388 -0.413 20 0 CBADRP CNS(=O)(=O)CCCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336795504 353053786 /nfs/dbraw/zinc/05/37/86/353053786.db2.gz KZNVMSOWBMEOKF-LBPRGKRZSA-N 2 0 275.418 -0.047 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCCNC1=O ZINC000336799443 353055144 /nfs/dbraw/zinc/05/51/44/353055144.db2.gz IOMZGVQXOWWHMO-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC000340215393 353157118 /nfs/dbraw/zinc/15/71/18/353157118.db2.gz RMBFRHANWIWKCN-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP C[N@H+](C[C@H](O)CN1CCOCC1)C[C@]1(C)CC[NH2+]C1 ZINC000340700264 353182603 /nfs/dbraw/zinc/18/26/03/353182603.db2.gz LJBBZETYGGJNFC-UONOGXRCSA-N 2 0 271.405 -0.389 20 0 CBADRP C[NH+](C)CC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000341304047 353209474 /nfs/dbraw/zinc/20/94/74/353209474.db2.gz SQFUUOYKILMPIX-SNVBAGLBSA-N 2 0 256.350 -0.996 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000342693981 353228391 /nfs/dbraw/zinc/22/83/91/353228391.db2.gz FSBZPOVVGUZNMC-NWDGAFQWSA-N 2 0 282.388 -0.558 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000342723821 353229722 /nfs/dbraw/zinc/22/97/22/353229722.db2.gz BESOHCPVSGJVEY-QWHCGFSZSA-N 2 0 296.415 -0.310 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000343080688 353251457 /nfs/dbraw/zinc/25/14/57/353251457.db2.gz FHADRPWXUVTLGV-CQSZACIVSA-N 2 0 280.416 -0.023 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000343453232 353273162 /nfs/dbraw/zinc/27/31/62/353273162.db2.gz HKAQARKALOECPB-ADEWGFFLSA-N 2 0 283.372 -0.134 20 0 CBADRP CN(C(=O)[C@@H]1C[NH+]2CCN1CCC2)[C@H]1CCC[N@H+](C)C1 ZINC000343557767 353279110 /nfs/dbraw/zinc/27/91/10/353279110.db2.gz ZZVRFRYRCYFXBS-KBPBESRZSA-N 2 0 280.416 -0.071 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000343324078 353267638 /nfs/dbraw/zinc/26/76/38/353267638.db2.gz PMJCIDPVVBPRDR-TZMCWYRMSA-N 2 0 278.400 -0.271 20 0 CBADRP CC[C@@]1(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)CCC[NH2+]1 ZINC000343766643 353290004 /nfs/dbraw/zinc/29/00/04/353290004.db2.gz GHLQRIXDLJRVGA-AWEZNQCLSA-N 2 0 282.388 -0.591 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000343871576 353295642 /nfs/dbraw/zinc/29/56/42/353295642.db2.gz LVZYVJWKPPEIRH-QWRGUYRKSA-N 2 0 287.360 -0.944 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000156752276 188279949 /nfs/dbraw/zinc/27/99/49/188279949.db2.gz NOZYZSMMIIIDEG-VXGBXAGGSA-N 2 0 256.394 -0.277 20 0 CBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[NH+](C)C)CC1 ZINC000346210889 353366126 /nfs/dbraw/zinc/36/61/26/353366126.db2.gz OLIARPXMHCOQAF-UHFFFAOYSA-N 2 0 284.404 -0.393 20 0 CBADRP C[NH+](C)CCCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000345590025 353339861 /nfs/dbraw/zinc/33/98/61/353339861.db2.gz WJALGRQQCRFNIN-GFCCVEGCSA-N 2 0 254.378 -0.556 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)CCOC2C[NH2+]C2)CC[N@@H+]1C ZINC000348988511 353442980 /nfs/dbraw/zinc/44/29/80/353442980.db2.gz HXODRRVWEKSSTK-QWRGUYRKSA-N 2 0 255.362 -0.036 20 0 CBADRP O=C(CCOC1C[NH2+]C1)NCCC[NH+]1CCC(O)CC1 ZINC000349007010 353444902 /nfs/dbraw/zinc/44/49/02/353444902.db2.gz UVWFCEOCXSRAST-UHFFFAOYSA-N 2 0 285.388 -0.672 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCOC1C[NH2+]C1 ZINC000349006245 353444959 /nfs/dbraw/zinc/44/49/59/353444959.db2.gz UAFNVDFTNAICEW-GFCCVEGCSA-N 2 0 284.404 -0.883 20 0 CBADRP COC[C@@]1(C(=O)NCC[NH+]2CCCC2)CC[NH2+]C1 ZINC000261567900 137693385 /nfs/dbraw/zinc/69/33/85/137693385.db2.gz IUZOMTUUSYECDV-CYBMUJFWSA-N 2 0 255.362 -0.176 20 0 CBADRP C[N@H+](CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000351536512 353475915 /nfs/dbraw/zinc/47/59/15/353475915.db2.gz GVIVCYCHQYGLMV-CYBMUJFWSA-N 2 0 296.415 -0.155 20 0 CBADRP [NH3+]C1(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000353185883 353525975 /nfs/dbraw/zinc/52/59/75/353525975.db2.gz PNUGWEAPJYQECU-NSHDSACASA-N 2 0 253.346 -0.342 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000354695628 353578898 /nfs/dbraw/zinc/57/88/98/353578898.db2.gz RHGSXXBHAZCOKE-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000354701484 353579355 /nfs/dbraw/zinc/57/93/55/353579355.db2.gz XUJNGVSBTDKHCW-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354702461 353579391 /nfs/dbraw/zinc/57/93/91/353579391.db2.gz YHDPSKXKILSDFQ-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000354721021 353580347 /nfs/dbraw/zinc/58/03/47/353580347.db2.gz YDOLHFBTJIXITA-QWHCGFSZSA-N 2 0 294.399 -0.449 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000354722127 353580567 /nfs/dbraw/zinc/58/05/67/353580567.db2.gz WTCBQUAZMPTNHY-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000354739847 353582117 /nfs/dbraw/zinc/58/21/17/353582117.db2.gz SYQJCDPGHWYQIF-UHFFFAOYSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H](CNC(=O)C[C@H]1COCC[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000357249347 353601533 /nfs/dbraw/zinc/60/15/33/353601533.db2.gz SEIMIBBCWPACAT-KBPBESRZSA-N 2 0 298.431 -0.635 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+](C)C ZINC000358063696 353623119 /nfs/dbraw/zinc/62/31/19/353623119.db2.gz ZMBUYSDCAWUQTL-DGCLKSJQSA-N 2 0 257.378 -0.245 20 0 CBADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000357903379 353612906 /nfs/dbraw/zinc/61/29/06/353612906.db2.gz GGZBDJHIAUFOTE-ZIAGYGMSSA-N 2 0 299.415 -0.285 20 0 CBADRP CN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000357900073 353613240 /nfs/dbraw/zinc/61/32/40/353613240.db2.gz BALMCPJXMAADGJ-SRVKXCTJSA-N 2 0 253.346 -0.596 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CCSC1 ZINC000357927637 353614838 /nfs/dbraw/zinc/61/48/38/353614838.db2.gz LPBAGFVWOHHGKF-UMNHJUIQSA-N 2 0 273.402 -0.737 20 0 CBADRP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1C[NH2+]CCO1 ZINC000361099377 353660205 /nfs/dbraw/zinc/66/02/05/353660205.db2.gz VQICRVLGLNVVME-TUAOUCFPSA-N 2 0 253.346 -0.521 20 0 CBADRP C[C@@H](CC(N)=O)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000361183400 353660522 /nfs/dbraw/zinc/66/05/22/353660522.db2.gz UVCWYXOIAAVCSF-LBPRGKRZSA-N 2 0 256.394 -0.133 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CC[NH2+]C3)CC2)C1 ZINC000361710738 353663324 /nfs/dbraw/zinc/66/33/24/353663324.db2.gz LYIKCFLSELIPDW-UONOGXRCSA-N 2 0 280.416 -0.166 20 0 CBADRP O=C1CNCCN1[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000362677000 353667566 /nfs/dbraw/zinc/66/75/66/353667566.db2.gz WPOMUVAIULHBJR-KBPBESRZSA-N 2 0 280.416 -0.118 20 0 CBADRP C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CNC(=O)C[NH3+] ZINC000364223958 353671231 /nfs/dbraw/zinc/67/12/31/353671231.db2.gz BVGQNALPFOFJKH-WDEREUQCSA-N 2 0 268.361 -0.854 20 0 CBADRP CC[C@@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[NH+](C)C ZINC000367376877 353681239 /nfs/dbraw/zinc/68/12/39/353681239.db2.gz DQBUZQQJPCKBRA-OLZOCXBDSA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@@H]1CCCN(C(=O)C[C@@H]2COCC[NH2+]2)[C@H]1C[NH3+] ZINC000368596335 353686490 /nfs/dbraw/zinc/68/64/90/353686490.db2.gz CRENKKYBQCLZTO-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP COCC[C@]1(C(=O)N2CCC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000370726366 353692165 /nfs/dbraw/zinc/69/21/65/353692165.db2.gz BHIOQVKPSKQDAT-WCQYABFASA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000371262688 353698700 /nfs/dbraw/zinc/69/87/00/353698700.db2.gz PAZZBLAVWURUKB-WCQYABFASA-N 2 0 272.368 -0.560 20 0 CBADRP O=C([C@@H]1CC[NH2+]C1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000372099713 353710432 /nfs/dbraw/zinc/71/04/32/353710432.db2.gz XVPYIYNXXKBFJZ-JHJVBQTASA-N 2 0 267.373 -0.347 20 0 CBADRP C[C@H]1CC(=O)NCCN1CCC[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000372333470 353714998 /nfs/dbraw/zinc/71/49/98/353714998.db2.gz OLPGDHDSRUFVHL-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000372366726 353715414 /nfs/dbraw/zinc/71/54/14/353715414.db2.gz CBTSXUVMBRSOAC-NWDGAFQWSA-N 2 0 270.377 -0.290 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)C1 ZINC000372505861 353717704 /nfs/dbraw/zinc/71/77/04/353717704.db2.gz NEJOWYJTWXIPQL-OBJOEFQTSA-N 2 0 267.373 -0.177 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(CCNS(C)(=O)=O)CC1 ZINC000372989497 353724953 /nfs/dbraw/zinc/72/49/53/353724953.db2.gz IIQDHNWUJGKXJS-LLVKDONJSA-N 2 0 263.407 -0.048 20 0 CBADRP NS(=O)(=O)N1CCC[N@H+](CCCn2ccnc2)CC1 ZINC000373218298 353727804 /nfs/dbraw/zinc/72/78/04/353727804.db2.gz SQEHJQOBVAPLNR-UHFFFAOYSA-N 2 0 287.389 -0.516 20 0 CBADRP CN1CCN(C(=O)CN2CCC[C@@]3(CNC(=O)O3)C2)CC1 ZINC000375568641 353763582 /nfs/dbraw/zinc/76/35/82/353763582.db2.gz DTKUFIKPNNCSCM-CQSZACIVSA-N 2 0 296.371 -0.665 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NCC[C@@H]1CCC[NH2+]C1 ZINC000375914639 353768803 /nfs/dbraw/zinc/76/88/03/353768803.db2.gz SBCVDKDXPGCYSP-NWDGAFQWSA-N 2 0 255.362 -0.129 20 0 CBADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000376062484 353771444 /nfs/dbraw/zinc/77/14/44/353771444.db2.gz SCAABZLDWJBCRG-YNEHKIRRSA-N 2 0 268.405 -0.134 20 0 CBADRP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000407965933 353813937 /nfs/dbraw/zinc/81/39/37/353813937.db2.gz LNVVCOYSUOWNHE-OKILXGFUSA-N 2 0 271.405 -0.560 20 0 CBADRP C[NH+](C)CC1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000408015749 353825185 /nfs/dbraw/zinc/82/51/85/353825185.db2.gz FHQJGYHKHRHFFP-UHFFFAOYSA-N 2 0 282.388 -0.782 20 0 CBADRP CC(C)(C[NH2+]C[C@H](O)C[NH+]1CCCC1)OCCO ZINC000385473061 353787157 /nfs/dbraw/zinc/78/71/57/353787157.db2.gz AREXURLZTWYGFR-LBPRGKRZSA-N 2 0 260.378 -0.180 20 0 CBADRP CC(C)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)OCCO ZINC000385473060 353787243 /nfs/dbraw/zinc/78/72/43/353787243.db2.gz AREXURLZTWYGFR-GFCCVEGCSA-N 2 0 260.378 -0.180 20 0 CBADRP C[C@@H](C(=O)N1CCN(CCO)[C@H](C)C1)N1CCN(C)CC1 ZINC000408376610 353907448 /nfs/dbraw/zinc/90/74/48/353907448.db2.gz NULAWWXZUIEVKU-KGLIPLIRSA-N 2 0 298.431 -0.853 20 0 CBADRP C[C@H](C(=O)N1CCN(CCO)[C@@H](C)C1)N1CCN(C)CC1 ZINC000408376613 353907610 /nfs/dbraw/zinc/90/76/10/353907610.db2.gz NULAWWXZUIEVKU-UONOGXRCSA-N 2 0 298.431 -0.853 20 0 CBADRP COCC(COC)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000412436804 353947211 /nfs/dbraw/zinc/94/72/11/353947211.db2.gz PKTNXWIYIDIYJS-CQSZACIVSA-N 2 0 299.415 -0.114 20 0 CBADRP CN1CCN(C(=O)CN2CCc3n[nH]c(=O)cc3C2)CC1 ZINC000408340528 353898318 /nfs/dbraw/zinc/89/83/18/353898318.db2.gz VWDNWLRLZBHYIZ-UHFFFAOYSA-N 2 0 291.355 -0.686 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC[NH3+])C1 ZINC000416866919 353973668 /nfs/dbraw/zinc/97/36/68/353973668.db2.gz KTFXQZCIOWGGPX-LLVKDONJSA-N 2 0 258.366 -0.399 20 0 CBADRP CC(C)[C@H](CNC(=O)N1CC[NH2+]CC1)N1CCOCC1 ZINC000416938282 353973974 /nfs/dbraw/zinc/97/39/74/353973974.db2.gz KWZDIQUKOALCLR-ZDUSSCGKSA-N 2 0 284.404 -0.042 20 0 CBADRP C[NH2+]CCNC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000416868687 353973990 /nfs/dbraw/zinc/97/39/90/353973990.db2.gz MERQUUBOUOFQPX-LBPRGKRZSA-N 2 0 272.393 -0.138 20 0 CBADRP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000417003401 353974582 /nfs/dbraw/zinc/97/45/82/353974582.db2.gz HJBGNVIUCQTERA-STQMWFEESA-N 2 0 285.436 -0.081 20 0 CBADRP COCC[NH2+]CCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000417290047 353976810 /nfs/dbraw/zinc/97/68/10/353976810.db2.gz WKILPQSLVMZVLF-LLVKDONJSA-N 2 0 258.366 -0.384 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418418315 353997137 /nfs/dbraw/zinc/99/71/37/353997137.db2.gz WEPLRJVFXXRALB-QJPTWQEYSA-N 2 0 270.377 -0.209 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000417443818 353977987 /nfs/dbraw/zinc/97/79/87/353977987.db2.gz AZZZUQNESUFRJH-NEPJUHHUSA-N 2 0 272.393 -0.057 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000417449405 353978061 /nfs/dbraw/zinc/97/80/61/353978061.db2.gz XWTLEEWAHSGQFG-LBPRGKRZSA-N 2 0 272.393 -0.137 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000417442540 353978064 /nfs/dbraw/zinc/97/80/64/353978064.db2.gz VAMXFOBKNDYTIY-RYUDHWBXSA-N 2 0 272.393 -0.044 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000417715911 353982324 /nfs/dbraw/zinc/98/23/24/353982324.db2.gz TWYJNSPOWSIAJT-RYUDHWBXSA-N 2 0 270.377 -0.256 20 0 CBADRP CN(C(=O)C[NH2+]C[C@@H]1CCCO1)[C@@H](C[NH3+])C1CC1 ZINC000417828024 353983930 /nfs/dbraw/zinc/98/39/30/353983930.db2.gz FAXRAHURRYYHTC-RYUDHWBXSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCO2)CCC[N@@H+]1C ZINC000417993251 353985616 /nfs/dbraw/zinc/98/56/16/353985616.db2.gz AFOBPBGXJCBEKI-WOPDTQHZSA-N 2 0 270.377 -0.243 20 0 CBADRP CC[NH+](CC)CCOCCNC(=O)N1CC[NH2+]CC1 ZINC000418029227 353986231 /nfs/dbraw/zinc/98/62/31/353986231.db2.gz ZFJLEXSKZWJDNR-UHFFFAOYSA-N 2 0 272.393 -0.040 20 0 CBADRP C[C@@H]1CN(C(=O)NCCOCC[NH+](C)C)[C@@H](C)C[NH2+]1 ZINC000418066681 353987480 /nfs/dbraw/zinc/98/74/80/353987480.db2.gz LSVJHWZVRZLENR-NEPJUHHUSA-N 2 0 272.393 -0.044 20 0 CBADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCN1CC[NH2+]CC1 ZINC000418200412 353988645 /nfs/dbraw/zinc/98/86/45/353988645.db2.gz QBFQGHIUQSNLIW-ZDUSSCGKSA-N 2 0 285.436 -0.081 20 0 CBADRP C[NH2+]CCCNC(=O)N(CCOC)CC[NH+](C)C ZINC000418277373 353989878 /nfs/dbraw/zinc/98/98/78/353989878.db2.gz ILYQYXGOHMJNHH-UHFFFAOYSA-N 2 0 260.382 -0.185 20 0 CBADRP C[C@@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)[C@H](C)C[NH2+]1 ZINC000418286187 353990110 /nfs/dbraw/zinc/99/01/10/353990110.db2.gz HHZYZRYYYRJMJV-CHWSQXEVSA-N 2 0 283.420 -0.327 20 0 CBADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418443205 353997624 /nfs/dbraw/zinc/99/76/24/353997624.db2.gz NOIWXQRVVBOEOD-NWDGAFQWSA-N 2 0 271.409 -0.437 20 0 CBADRP C[C@H]1CCN(C(=O)NCCCN2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000418284276 353990526 /nfs/dbraw/zinc/99/05/26/353990526.db2.gz BJSKSECJIRYJKO-KBPBESRZSA-N 2 0 297.447 -0.092 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000418292824 353991158 /nfs/dbraw/zinc/99/11/58/353991158.db2.gz DNIGUTVRSLPNAX-NEPJUHHUSA-N 2 0 269.393 -0.811 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)NCCN1CC[NH2+]CC1 ZINC000418295063 353991337 /nfs/dbraw/zinc/99/13/37/353991337.db2.gz IEXXNUBRNYBGOQ-GFCCVEGCSA-N 2 0 271.409 -0.436 20 0 CBADRP C[C@@H]1CCN(C(=O)NCCN2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000418296237 353991982 /nfs/dbraw/zinc/99/19/82/353991982.db2.gz JNSFYDKTUIKCKE-CHWSQXEVSA-N 2 0 283.420 -0.340 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCC[NH3+])CC1 ZINC000418314589 353992878 /nfs/dbraw/zinc/99/28/78/353992878.db2.gz SIHZLIQCFHMWRU-UHFFFAOYSA-N 2 0 299.419 -0.469 20 0 CBADRP C[NH2+]CCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000418317906 353992918 /nfs/dbraw/zinc/99/29/18/353992918.db2.gz NRTZSDAOYPCODB-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP C[NH2+]CCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000418321309 353993854 /nfs/dbraw/zinc/99/38/54/353993854.db2.gz YPKNXYCPHFFZEJ-UHFFFAOYSA-N 2 0 299.419 -0.503 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000418328057 353993956 /nfs/dbraw/zinc/99/39/56/353993956.db2.gz AJXZSJWTUFHFLZ-STQMWFEESA-N 2 0 286.420 -0.012 20 0 CBADRP O=C(NC[C@H]1CCCC[N@H+]1CCO)N[C@H]1CC[NH2+]C1 ZINC000418374688 353994978 /nfs/dbraw/zinc/99/49/78/353994978.db2.gz GYCTUIHGMHYVQN-NWDGAFQWSA-N 2 0 270.377 -0.506 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000418368105 353995208 /nfs/dbraw/zinc/99/52/08/353995208.db2.gz RFJYYVGDXLJIDO-XQQFMLRXSA-N 2 0 286.420 -0.062 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418374364 353995223 /nfs/dbraw/zinc/99/52/23/353995223.db2.gz SJIKLWOLYCENSH-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418391027 353995858 /nfs/dbraw/zinc/99/58/58/353995858.db2.gz PCMQXCKZHJXWRK-AAEUAGOBSA-N 2 0 272.393 -0.090 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418391030 353995978 /nfs/dbraw/zinc/99/59/78/353995978.db2.gz PCMQXCKZHJXWRK-YPMHNXCESA-N 2 0 272.393 -0.090 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000419236394 354040353 /nfs/dbraw/zinc/04/03/53/354040353.db2.gz KMIGMHSVLHSTIR-UHFFFAOYSA-N 2 0 270.377 -0.687 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CCC1 ZINC000419246763 354041714 /nfs/dbraw/zinc/04/17/14/354041714.db2.gz WJKDSLWRKDZMLR-NSHDSACASA-N 2 0 282.388 -0.560 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418452058 353998357 /nfs/dbraw/zinc/99/83/57/353998357.db2.gz WUNXAJBQSYPASW-VXGBXAGGSA-N 2 0 271.409 -0.293 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000418490081 353999042 /nfs/dbraw/zinc/99/90/42/353999042.db2.gz MROUMBKYBNQVKL-QWHCGFSZSA-N 2 0 286.420 -0.027 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000418490080 353999354 /nfs/dbraw/zinc/99/93/54/353999354.db2.gz MROUMBKYBNQVKL-OLZOCXBDSA-N 2 0 286.420 -0.027 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000418510768 354000321 /nfs/dbraw/zinc/00/03/21/354000321.db2.gz QADPVGONKAEMQP-UHFFFAOYSA-N 2 0 284.404 -0.040 20 0 CBADRP C[C@H](C[NH3+])NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000418509762 354000357 /nfs/dbraw/zinc/00/03/57/354000357.db2.gz GVRUDCFZSIXMPO-MNOVXSKESA-N 2 0 272.393 -0.180 20 0 CBADRP C[C@H](C[NH3+])NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000418515356 354000898 /nfs/dbraw/zinc/00/08/98/354000898.db2.gz PYFHKLIQBGKMJV-MNOVXSKESA-N 2 0 272.393 -0.180 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000418514533 354001407 /nfs/dbraw/zinc/00/14/07/354001407.db2.gz ARJSOQZLYBWCDG-NEPJUHHUSA-N 2 0 272.393 -0.130 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000418521989 354001611 /nfs/dbraw/zinc/00/16/11/354001611.db2.gz ITGAJQZDDQIMBY-SDDRHHMPSA-N 2 0 272.393 -0.180 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418585682 354003743 /nfs/dbraw/zinc/00/37/43/354003743.db2.gz DSYKAGXSMPPHLK-STQMWFEESA-N 2 0 283.420 -0.293 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000418620214 354004678 /nfs/dbraw/zinc/00/46/78/354004678.db2.gz PYFHKLIQBGKMJV-WDEREUQCSA-N 2 0 272.393 -0.180 20 0 CBADRP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418681061 354005997 /nfs/dbraw/zinc/00/59/97/354005997.db2.gz YGADGCWUPLERMN-WYUUTHIRSA-N 2 0 252.362 -0.203 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000418734391 354006322 /nfs/dbraw/zinc/00/63/22/354006322.db2.gz RYVUTCLEKYWUCU-RYUDHWBXSA-N 2 0 272.393 -0.130 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NCCNc1cc[nH+]cc1 ZINC000418704307 354006374 /nfs/dbraw/zinc/00/63/74/354006374.db2.gz RIFRPFHUSHXTCO-ZJUUUORDSA-N 2 0 251.334 -0.050 20 0 CBADRP C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)[C@H](C)[NH3+] ZINC000418699291 354006379 /nfs/dbraw/zinc/00/63/79/354006379.db2.gz DSLSYDPWJXXSND-FIQHERPVSA-N 2 0 272.393 -0.181 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)NC[C@H]2C[NH2+]CCO2)[C@H]1C ZINC000418759566 354006996 /nfs/dbraw/zinc/00/69/96/354006996.db2.gz GLUGRRBEUHZSQW-GARJFASQSA-N 2 0 256.350 -0.633 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000418826333 354010607 /nfs/dbraw/zinc/01/06/07/354010607.db2.gz CMTVYDWSEVYQFS-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000418880334 354014820 /nfs/dbraw/zinc/01/48/20/354014820.db2.gz VHNNGBNBSLXBFA-VXGBXAGGSA-N 2 0 296.415 -0.204 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000418913800 354015829 /nfs/dbraw/zinc/01/58/29/354015829.db2.gz ODAYZVIWWMDUFZ-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC000418991438 354019970 /nfs/dbraw/zinc/01/99/70/354019970.db2.gz XSODMFFYCCKYEX-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@H+](CCCNC(=O)C(=O)NCC[NH3+])Cc1ccccc1 ZINC000418990040 354020516 /nfs/dbraw/zinc/02/05/16/354020516.db2.gz CJFMDAIJTNFWBL-UHFFFAOYSA-N 2 0 292.383 -0.300 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000419008943 354022939 /nfs/dbraw/zinc/02/29/39/354022939.db2.gz WLKIBKRCDQWBIU-CYBMUJFWSA-N 2 0 298.431 -0.064 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000419008188 354023093 /nfs/dbraw/zinc/02/30/93/354023093.db2.gz VAZKHQCDIGLNBZ-GFCCVEGCSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000419018325 354023684 /nfs/dbraw/zinc/02/36/84/354023684.db2.gz BWAHTNZIJWFIKK-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000419021379 354024406 /nfs/dbraw/zinc/02/44/06/354024406.db2.gz GZWPTELUEWBBJI-YNEHKIRRSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC[NH3+] ZINC000419027306 354025526 /nfs/dbraw/zinc/02/55/26/354025526.db2.gz OMOPDNNSYBJPGW-UTUOFQBUSA-N 2 0 284.404 -0.456 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCC[NH3+] ZINC000419029677 354025605 /nfs/dbraw/zinc/02/56/05/354025605.db2.gz RTXLPUFYMNGGJM-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000419034444 354026207 /nfs/dbraw/zinc/02/62/07/354026207.db2.gz ZNRKALYWULQLBQ-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419083333 354027396 /nfs/dbraw/zinc/02/73/96/354027396.db2.gz WIFLUBHBRKGHRQ-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000419096697 354028617 /nfs/dbraw/zinc/02/86/17/354028617.db2.gz FBIOLWPGNQYMAH-PWSUYJOCSA-N 2 0 280.372 -0.983 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000419121546 354029433 /nfs/dbraw/zinc/02/94/33/354029433.db2.gz AUVUFWOGKFSFHP-GHMZBOCLSA-N 2 0 272.393 -0.458 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000419134655 354030741 /nfs/dbraw/zinc/03/07/41/354030741.db2.gz KMTCXBSKCIEIGJ-WDEREUQCSA-N 2 0 286.420 -0.068 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419141439 354031767 /nfs/dbraw/zinc/03/17/67/354031767.db2.gz VGFNUIDEWIFPSR-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419141440 354031800 /nfs/dbraw/zinc/03/18/00/354031800.db2.gz VGFNUIDEWIFPSR-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419153383 354032856 /nfs/dbraw/zinc/03/28/56/354032856.db2.gz PSJVXHBGEJFVPT-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419153966 354032955 /nfs/dbraw/zinc/03/29/55/354032955.db2.gz QJNMTEAIHPTIKE-WDEREUQCSA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000419152060 354033393 /nfs/dbraw/zinc/03/33/93/354033393.db2.gz NYEFNPPCRNOVBG-GRYCIOLGSA-N 2 0 284.404 -0.362 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCC[NH3+])C1 ZINC000419157362 354033971 /nfs/dbraw/zinc/03/39/71/354033971.db2.gz VCMAFRYMOUAHNU-ZDUSSCGKSA-N 2 0 298.431 -0.064 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]1 ZINC000419159511 354034308 /nfs/dbraw/zinc/03/43/08/354034308.db2.gz ZKABQYJMYUFLFC-QWRGUYRKSA-N 2 0 280.372 -0.840 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000419221703 354038057 /nfs/dbraw/zinc/03/80/57/354038057.db2.gz KCDLEYYJRFNGJB-ZDUSSCGKSA-N 2 0 296.415 -0.146 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)C1 ZINC000419230770 354039251 /nfs/dbraw/zinc/03/92/51/354039251.db2.gz ZAPBILLMMRBIKA-CYBMUJFWSA-N 2 0 294.399 -0.425 20 0 CBADRP [NH3+]CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419224958 354039395 /nfs/dbraw/zinc/03/93/95/354039395.db2.gz GIJWIPNWDLUNIE-CYBMUJFWSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000419554689 354061565 /nfs/dbraw/zinc/06/15/65/354061565.db2.gz ICLKTGHIIQVXRG-SDDRHHMPSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)C[C@H]1[NH3+] ZINC000419562758 354061880 /nfs/dbraw/zinc/06/18/80/354061880.db2.gz VOXPFMWFVHZRDN-WRWGMCAJSA-N 2 0 282.388 -0.609 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000419555105 354061911 /nfs/dbraw/zinc/06/19/11/354061911.db2.gz IYZWPIAGGBEZCK-TUAOUCFPSA-N 2 0 284.404 -0.443 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000419585696 354063512 /nfs/dbraw/zinc/06/35/12/354063512.db2.gz MAGXQZCAZKGGNK-QWRGUYRKSA-N 2 0 284.404 -0.443 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000419585674 354063541 /nfs/dbraw/zinc/06/35/41/354063541.db2.gz LWBCQIWODZHVKK-YPMHNXCESA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419578549 354063708 /nfs/dbraw/zinc/06/37/08/354063708.db2.gz FCGZJWOQENOMPR-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000419585697 354063779 /nfs/dbraw/zinc/06/37/79/354063779.db2.gz MAGXQZCAZKGGNK-WDEREUQCSA-N 2 0 284.404 -0.443 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419582165 354064077 /nfs/dbraw/zinc/06/40/77/354064077.db2.gz JERYZAVKMHNHEY-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000419590904 354064880 /nfs/dbraw/zinc/06/48/80/354064880.db2.gz QUKZTBRORVYRGE-UWVGGRQHSA-N 2 0 270.377 -0.704 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419586300 354065153 /nfs/dbraw/zinc/06/51/53/354065153.db2.gz MTCCJHYHFBRRMK-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419596372 354065201 /nfs/dbraw/zinc/06/52/01/354065201.db2.gz YADWEWAPNASUBV-CHWSQXEVSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)C(C)C ZINC000419872540 354087899 /nfs/dbraw/zinc/08/78/99/354087899.db2.gz YJPFANBVKFSFJG-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)(CNC(=O)C(=O)NCCC[NH3+])C[NH+]1CCCC1 ZINC000419661223 354068307 /nfs/dbraw/zinc/06/83/07/354068307.db2.gz DVJLUQDYILGEND-UHFFFAOYSA-N 2 0 284.404 -0.310 20 0 CBADRP C[NH2+][C@@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419689195 354069732 /nfs/dbraw/zinc/06/97/32/354069732.db2.gz ACZVNMSKRSNIIM-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000419694285 354070185 /nfs/dbraw/zinc/07/01/85/354070185.db2.gz KFWCEXWHRVDAME-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)NCC(C)(C)[NH3+])C1CCCC1 ZINC000419689288 354070464 /nfs/dbraw/zinc/07/04/64/354070464.db2.gz AJZZZCGNOWOQIH-UHFFFAOYSA-N 2 0 284.404 -0.170 20 0 CBADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CC[NH2+]CC1 ZINC000419692079 354070552 /nfs/dbraw/zinc/07/05/52/354070552.db2.gz FQYKMVKKQVXWGN-LBPRGKRZSA-N 2 0 294.399 -0.449 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419700067 354071486 /nfs/dbraw/zinc/07/14/86/354071486.db2.gz WYRNGJCJLRTULO-NEPJUHHUSA-N 2 0 296.415 -0.027 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419732369 354074018 /nfs/dbraw/zinc/07/40/18/354074018.db2.gz MJFJBCJZSNAEIO-NSHDSACASA-N 2 0 270.377 -0.702 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000419730105 354074106 /nfs/dbraw/zinc/07/41/06/354074106.db2.gz JFDZZFPECDUYCM-LBPRGKRZSA-N 2 0 282.388 -0.463 20 0 CBADRP [NH3+]CCCNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000419732420 354074122 /nfs/dbraw/zinc/07/41/22/354074122.db2.gz MNHJOGDFWYIBAI-LBPRGKRZSA-N 2 0 282.388 -0.416 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419736722 354074219 /nfs/dbraw/zinc/07/42/19/354074219.db2.gz RTVGYWDJUJKIES-OLZOCXBDSA-N 2 0 296.415 -0.488 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419740800 354074680 /nfs/dbraw/zinc/07/46/80/354074680.db2.gz YFFYHSLPLAMDCX-HNNXBMFYSA-N 2 0 296.415 -0.344 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000419740889 354074694 /nfs/dbraw/zinc/07/46/94/354074694.db2.gz YOJGDECMYQFKOX-WCQYABFASA-N 2 0 296.415 -0.027 20 0 CBADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419740803 354074963 /nfs/dbraw/zinc/07/49/63/354074963.db2.gz YFHLRPSUDKADFD-AAEUAGOBSA-N 2 0 294.399 -0.402 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419741289 354075180 /nfs/dbraw/zinc/07/51/80/354075180.db2.gz YYNCYPVGVMHWJP-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419766148 354075729 /nfs/dbraw/zinc/07/57/29/354075729.db2.gz RAGDHZBFFVZGLF-LBPRGKRZSA-N 2 0 286.420 -0.066 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419769073 354076196 /nfs/dbraw/zinc/07/61/96/354076196.db2.gz CORIOKAGRNLHEK-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000419770430 354076316 /nfs/dbraw/zinc/07/63/16/354076316.db2.gz FGPSUHHWHRKDKO-WDEREUQCSA-N 2 0 284.404 -0.314 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419768487 354076426 /nfs/dbraw/zinc/07/64/26/354076426.db2.gz UQCCVRYDXYCLQU-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000419785075 354077275 /nfs/dbraw/zinc/07/72/75/354077275.db2.gz YHBMNFHIWDOZPU-VXGBXAGGSA-N 2 0 298.431 -0.066 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000419780903 354077411 /nfs/dbraw/zinc/07/74/11/354077411.db2.gz NHRQGQHBVRVDHQ-UPJWGTAASA-N 2 0 298.431 -0.053 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419776152 354077444 /nfs/dbraw/zinc/07/74/44/354077444.db2.gz JJHQSEPFBRNHEA-WDEREUQCSA-N 2 0 272.393 -0.456 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCCC[NH3+] ZINC000419788229 354078629 /nfs/dbraw/zinc/07/86/29/354078629.db2.gz ZEPQIMYZRFICDS-SNVBAGLBSA-N 2 0 258.366 -0.702 20 0 CBADRP [NH3+]CCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000419814163 354079350 /nfs/dbraw/zinc/07/93/50/354079350.db2.gz HXNFGTSZWSINGE-LBPRGKRZSA-N 2 0 282.388 -0.462 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000419813310 354079591 /nfs/dbraw/zinc/07/95/91/354079591.db2.gz GWQJHQSBYPHEIG-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000419821062 354080115 /nfs/dbraw/zinc/08/01/15/354080115.db2.gz KRSAFZTVZRQSIB-UPJWGTAASA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000419827038 354081290 /nfs/dbraw/zinc/08/12/90/354081290.db2.gz OHMOIGNZUQYTTF-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419837869 354082164 /nfs/dbraw/zinc/08/21/64/354082164.db2.gz XBHPEQHQRJACIV-YNEHKIRRSA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)C[NH+]1CCCC1 ZINC000419837593 354082252 /nfs/dbraw/zinc/08/22/52/354082252.db2.gz WRYKFZHWSWAFIC-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419838007 354082435 /nfs/dbraw/zinc/08/24/35/354082435.db2.gz DUSYNTNSJNCURI-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000419846511 354084187 /nfs/dbraw/zinc/08/41/87/354084187.db2.gz QBDSWSHBWFEGTC-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000419846722 354084239 /nfs/dbraw/zinc/08/42/39/354084239.db2.gz HQHIECDADLQTJP-UHFFFAOYSA-N 2 0 272.393 -0.489 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000419849710 354084512 /nfs/dbraw/zinc/08/45/12/354084512.db2.gz ZHVHKGQJWYCHDT-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419864160 354086266 /nfs/dbraw/zinc/08/62/66/354086266.db2.gz OBODHZCKJHBEMF-LBPRGKRZSA-N 2 0 284.404 -0.360 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419292338 354044455 /nfs/dbraw/zinc/04/44/55/354044455.db2.gz YHAYUKWCMREOAV-LBPRGKRZSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C[N@@H+]1C1CC1 ZINC000419317463 354045582 /nfs/dbraw/zinc/04/55/82/354045582.db2.gz MUJGTFXBXAOBCB-GRYCIOLGSA-N 2 0 294.399 -0.452 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000419315453 354045906 /nfs/dbraw/zinc/04/59/06/354045906.db2.gz JWAOFWJGHLCLEH-SDDRHHMPSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419333496 354046850 /nfs/dbraw/zinc/04/68/50/354046850.db2.gz MGDOFNUKSBUJBS-MDZLAQPJSA-N 2 0 294.399 -0.594 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000419336952 354046866 /nfs/dbraw/zinc/04/68/66/354046866.db2.gz QCJIISMOYBNSNX-GVXVVHGQSA-N 2 0 296.415 -0.443 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419338005 354047012 /nfs/dbraw/zinc/04/70/12/354047012.db2.gz RRFQAWYDHDNRNA-GVXVVHGQSA-N 2 0 294.399 -0.547 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419334317 354047164 /nfs/dbraw/zinc/04/71/64/354047164.db2.gz MZEHJUAWHNLHDE-ONGXEEELSA-N 2 0 282.388 -0.561 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419870767 354087278 /nfs/dbraw/zinc/08/72/78/354087278.db2.gz SKFKXJLJZQZEQI-GFCCVEGCSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000419402632 354051328 /nfs/dbraw/zinc/05/13/28/354051328.db2.gz COUUKCLBNNUMLE-RYUDHWBXSA-N 2 0 282.388 -0.687 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000419403092 354051497 /nfs/dbraw/zinc/05/14/97/354051497.db2.gz DJCHQPCXWWEOII-GFCCVEGCSA-N 2 0 282.388 -0.606 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[NH3+])c1ccc(F)cc1 ZINC000419406343 354051557 /nfs/dbraw/zinc/05/15/57/354051557.db2.gz IPAZWVLQOXBSOK-LBPRGKRZSA-N 2 0 296.346 -0.381 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000419410136 354052245 /nfs/dbraw/zinc/05/22/45/354052245.db2.gz OGJWYVLAHMURLR-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000419413093 354052596 /nfs/dbraw/zinc/05/25/96/354052596.db2.gz RPANLOUQGCZKOQ-LBPRGKRZSA-N 2 0 284.404 -0.440 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419408446 354052659 /nfs/dbraw/zinc/05/26/59/354052659.db2.gz LOMFVMBRSVINMG-DGCLKSJQSA-N 2 0 296.415 -0.312 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000419414701 354052668 /nfs/dbraw/zinc/05/26/68/354052668.db2.gz UHUMHCNVBODIOS-CYBMUJFWSA-N 2 0 296.415 -0.312 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000419419574 354053346 /nfs/dbraw/zinc/05/33/46/354053346.db2.gz ZGLAOUNWYSKEEA-UHFFFAOYSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000419417169 354053505 /nfs/dbraw/zinc/05/35/05/354053505.db2.gz WYMYWCAGPIMEGW-JHJVBQTASA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419417179 354053561 /nfs/dbraw/zinc/05/35/61/354053561.db2.gz WZGYEXWAIDQEFB-STQMWFEESA-N 2 0 296.415 -0.297 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000419419059 354053787 /nfs/dbraw/zinc/05/37/87/354053787.db2.gz YUKIQALSNYPOBH-ZDUSSCGKSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000419415153 354053834 /nfs/dbraw/zinc/05/38/34/354053834.db2.gz UUBPQTGDRYARKM-GFCCVEGCSA-N 2 0 284.404 -0.455 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000419428620 354054311 /nfs/dbraw/zinc/05/43/11/354054311.db2.gz TZQXYCLRDOEOOX-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419428617 354054374 /nfs/dbraw/zinc/05/43/74/354054374.db2.gz TZQXYCLRDOEOOX-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)C1CC1 ZINC000419524146 354057200 /nfs/dbraw/zinc/05/72/00/354057200.db2.gz PGZUOFFKFOFPEQ-ZYHUDNBSSA-N 2 0 282.388 -0.608 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419524519 354058154 /nfs/dbraw/zinc/05/81/54/354058154.db2.gz PXLGORROQHOYSO-RYUDHWBXSA-N 2 0 286.420 -0.195 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C1CC1 ZINC000419525213 354058357 /nfs/dbraw/zinc/05/83/57/354058357.db2.gz RCZDFQIULFOAQB-LBPRGKRZSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)C1CC1 ZINC000419526492 354058588 /nfs/dbraw/zinc/05/85/88/354058588.db2.gz TYBXUERSPJXXQZ-LLVKDONJSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419527456 354058740 /nfs/dbraw/zinc/05/87/40/354058740.db2.gz VBVCQSDMHUHJKW-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)C1CC1 ZINC000419529416 354058776 /nfs/dbraw/zinc/05/87/76/354058776.db2.gz XQHYSKJTLSOJSQ-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000419541787 354059684 /nfs/dbraw/zinc/05/96/84/354059684.db2.gz DTXRCNSIFVJZQA-UTUOFQBUSA-N 2 0 284.404 -0.315 20 0 CBADRP C[C@H]1[C@H](NC(=O)C(=O)NCC2([NH3+])CCC2)CCC[N@@H+]1C ZINC000419563355 354061311 /nfs/dbraw/zinc/06/13/11/354061311.db2.gz WHKHSROFXYBJGC-WDEREUQCSA-N 2 0 282.388 -0.417 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000419883065 354088986 /nfs/dbraw/zinc/08/89/86/354088986.db2.gz YMHMBKAZBPXRIT-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000419897867 354091957 /nfs/dbraw/zinc/09/19/57/354091957.db2.gz WKBZBHDVWRZEFG-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419939061 354094455 /nfs/dbraw/zinc/09/44/55/354094455.db2.gz QNGQRXRSIGNMDT-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP CCN1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)C[NH3+])C[C@H]1C ZINC000419944734 354095191 /nfs/dbraw/zinc/09/51/91/354095191.db2.gz BKBZGFVQOAIVGH-UTUOFQBUSA-N 2 0 284.404 -0.362 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000419948670 354095412 /nfs/dbraw/zinc/09/54/12/354095412.db2.gz KLWYTKWGASYYNW-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000419954425 354096414 /nfs/dbraw/zinc/09/64/14/354096414.db2.gz LWVUNNXOQFLGBE-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419953552 354096628 /nfs/dbraw/zinc/09/66/28/354096628.db2.gz PVXQWFIHTXCIAN-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000419969918 354098279 /nfs/dbraw/zinc/09/82/79/354098279.db2.gz ATJNSLXVASPUJG-GFCCVEGCSA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000419974541 354099152 /nfs/dbraw/zinc/09/91/52/354099152.db2.gz JPWBYUMABXRXNM-XQQFMLRXSA-N 2 0 298.431 -0.197 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000419978146 354099166 /nfs/dbraw/zinc/09/91/66/354099166.db2.gz NSWUPPYWHMKUGO-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000419978165 354099570 /nfs/dbraw/zinc/09/95/70/354099570.db2.gz NUVZWBIOISDFON-QJPTWQEYSA-N 2 0 284.404 -0.633 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000420005456 354100882 /nfs/dbraw/zinc/10/08/82/354100882.db2.gz PJFMBCKERPPLFB-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000419994712 354100969 /nfs/dbraw/zinc/10/09/69/354100969.db2.gz HFIVIJLYIKHDRQ-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000419996917 354101053 /nfs/dbraw/zinc/10/10/53/354101053.db2.gz OCWSSXUDIQXAKR-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000420000112 354101092 /nfs/dbraw/zinc/10/10/92/354101092.db2.gz PKKCBGUWHBDMTH-CHWSQXEVSA-N 2 0 298.431 -0.066 20 0 CBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000420000114 354101127 /nfs/dbraw/zinc/10/11/27/354101127.db2.gz PKKCBGUWHBDMTH-QWHCGFSZSA-N 2 0 298.431 -0.066 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000420012508 354102000 /nfs/dbraw/zinc/10/20/00/354102000.db2.gz JLQMFIKPEVTQCO-LLVKDONJSA-N 2 0 272.393 -0.504 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000420031000 354104455 /nfs/dbraw/zinc/10/44/55/354104455.db2.gz RBFBVJFEBBGWIM-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420070468 354107307 /nfs/dbraw/zinc/10/73/07/354107307.db2.gz CITZRNTVMSNPSX-UHFFFAOYSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000420109724 354109150 /nfs/dbraw/zinc/10/91/50/354109150.db2.gz DSXBQVFIEJZVFS-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000420149327 354112855 /nfs/dbraw/zinc/11/28/55/354112855.db2.gz VBLRUGPFNZZIAN-MNOVXSKESA-N 2 0 270.377 -0.879 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000420176769 354116020 /nfs/dbraw/zinc/11/60/20/354116020.db2.gz XOCHEWGVCLPUFH-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP CN1CCN(C(=O)CC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000420299332 354121774 /nfs/dbraw/zinc/12/17/74/354121774.db2.gz ASOCNCZNIPNTCL-IHRRRGAJSA-N 2 0 280.416 -0.180 20 0 CBADRP CN1CCN(C(=O)CC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000420299331 354121997 /nfs/dbraw/zinc/12/19/97/354121997.db2.gz ASOCNCZNIPNTCL-BFHYXJOUSA-N 2 0 280.416 -0.180 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCCC(=O)N1CC[NH2+]CC1 ZINC000420366288 354125239 /nfs/dbraw/zinc/12/52/39/354125239.db2.gz LZZNXXVSDZIPSS-YRGRVCCFSA-N 2 0 268.405 -0.216 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420398973 354126490 /nfs/dbraw/zinc/12/64/90/354126490.db2.gz HHVQUHWDNLEHDG-NEPJUHHUSA-N 2 0 285.388 -0.075 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)CC[NH3+])C1 ZINC000420375339 354126724 /nfs/dbraw/zinc/12/67/24/354126724.db2.gz IWXJIPCTICYBQR-CYBMUJFWSA-N 2 0 286.420 -0.650 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)C[C@@H]1[NH3+] ZINC000423232997 354165870 /nfs/dbraw/zinc/16/58/70/354165870.db2.gz DAMBNIQKEFYXIQ-UTUOFQBUSA-N 2 0 282.388 -0.655 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC[NH2+]1 ZINC000423252605 354166981 /nfs/dbraw/zinc/16/69/81/354166981.db2.gz XTXXTRQWPVYKHU-NWDGAFQWSA-N 2 0 282.388 -0.641 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)C[C@@H](C)[NH2+]1 ZINC000423247223 354167383 /nfs/dbraw/zinc/16/73/83/354167383.db2.gz QHXIJRDDUFIWAP-UPJWGTAASA-N 2 0 296.415 -0.252 20 0 CBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423247958 354167397 /nfs/dbraw/zinc/16/73/97/354167397.db2.gz QXQIBZDMTUUPIA-NWDGAFQWSA-N 2 0 282.388 -0.511 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC(=O)OC)C1 ZINC000423311041 354168277 /nfs/dbraw/zinc/16/82/77/354168277.db2.gz BETLYCQXYRZAEJ-MNOVXSKESA-N 2 0 271.361 -0.181 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000423329634 354169498 /nfs/dbraw/zinc/16/94/98/354169498.db2.gz TUNAMQRWOZZATA-MNOVXSKESA-N 2 0 273.377 -0.031 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000423428131 354175813 /nfs/dbraw/zinc/17/58/13/354175813.db2.gz JZXNJFMEWLCFNU-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC1(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[NH2+]C1 ZINC000423422118 354175906 /nfs/dbraw/zinc/17/59/06/354175906.db2.gz CUPLVQRWFPCSNY-GFCCVEGCSA-N 2 0 267.373 -0.223 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000423440371 354176778 /nfs/dbraw/zinc/17/67/78/354176778.db2.gz XBQJMMRZNNYQSM-STQMWFEESA-N 2 0 298.431 -0.018 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000422044299 354142525 /nfs/dbraw/zinc/14/25/25/354142525.db2.gz XLPBOUBCFYIDJG-KBPBESRZSA-N 2 0 280.416 -0.071 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422268776 354144237 /nfs/dbraw/zinc/14/42/37/354144237.db2.gz KTQAJJRYCYBTQE-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H]1C[C@H](C)N(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000422536587 354149111 /nfs/dbraw/zinc/14/91/11/354149111.db2.gz FQRJDGSGQQTDGP-YVECIDJPSA-N 2 0 296.415 -0.314 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423063923 354161712 /nfs/dbraw/zinc/16/17/12/354161712.db2.gz PZSGJFAICYRPKQ-CHWSQXEVSA-N 2 0 298.431 -0.162 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423121209 354162359 /nfs/dbraw/zinc/16/23/59/354162359.db2.gz IGIFVNYRYFPJNB-QWHCGFSZSA-N 2 0 296.415 -0.264 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423623580 354185966 /nfs/dbraw/zinc/18/59/66/354185966.db2.gz OLWAIWGPLYGHOY-NSHDSACASA-N 2 0 270.377 -0.654 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@H](C)C[NH2+]1 ZINC000423626020 354186937 /nfs/dbraw/zinc/18/69/37/354186937.db2.gz FCSIHRHKLSOXCG-UPJWGTAASA-N 2 0 296.415 -0.395 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423642772 354188546 /nfs/dbraw/zinc/18/85/46/354188546.db2.gz IMMODSFXCOCMMH-GFCCVEGCSA-N 2 0 282.388 -0.511 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)[C@@H](C)C[NH2+]1 ZINC000423652221 354188876 /nfs/dbraw/zinc/18/88/76/354188876.db2.gz NDEPQBBYVUVOTP-NEPJUHHUSA-N 2 0 296.415 -0.252 20 0 CBADRP CCCN(C(=O)C(=O)N(C)CC[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000423659916 354189473 /nfs/dbraw/zinc/18/94/73/354189473.db2.gz IWVUGPLAQOGZFV-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000423724484 354193745 /nfs/dbraw/zinc/19/37/45/354193745.db2.gz RJKUFRQPUALAAF-LBPRGKRZSA-N 2 0 296.415 -0.121 20 0 CBADRP CC1CC[NH+](CC(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000423722133 354193922 /nfs/dbraw/zinc/19/39/22/354193922.db2.gz PHRFTSPNKKALCF-ZDUSSCGKSA-N 2 0 268.405 -0.262 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423724192 354193980 /nfs/dbraw/zinc/19/39/80/354193980.db2.gz MIAPSNBEOULSHM-LBPRGKRZSA-N 2 0 296.415 -0.251 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000423738263 354195735 /nfs/dbraw/zinc/19/57/35/354195735.db2.gz DHXJDWMVITZALT-VXGBXAGGSA-N 2 0 273.377 -0.471 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000423738261 354196089 /nfs/dbraw/zinc/19/60/89/354196089.db2.gz DHXJDWMVITZALT-RYUDHWBXSA-N 2 0 273.377 -0.471 20 0 CBADRP C[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000423977602 354205951 /nfs/dbraw/zinc/20/59/51/354205951.db2.gz WCYFYJUBXQNCQE-ZWNOBZJWSA-N 2 0 255.362 -0.192 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000423998359 354206946 /nfs/dbraw/zinc/20/69/46/354206946.db2.gz ZKRGZNMZMABUOD-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH2+]CCCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424061956 354207985 /nfs/dbraw/zinc/20/79/85/354207985.db2.gz UNRLFNFYHQNPSG-SNVBAGLBSA-N 2 0 266.349 -0.458 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC[NH2+]1 ZINC000424075077 354208232 /nfs/dbraw/zinc/20/82/32/354208232.db2.gz IQBQPJQPMJJVCJ-GHMZBOCLSA-N 2 0 278.360 -0.364 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@H]1C[NH2+]CCO1)C(F)(F)F ZINC000424194215 354218049 /nfs/dbraw/zinc/21/80/49/354218049.db2.gz RYXKYIJXWNWTRZ-RQJHMYQMSA-N 2 0 255.240 -0.629 20 0 CBADRP [NH3+]C[C@H](NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)C1CC1 ZINC000424084400 354208824 /nfs/dbraw/zinc/20/88/24/354208824.db2.gz YGQLUSZMBYGPKM-MNOVXSKESA-N 2 0 278.360 -0.330 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424082104 354208984 /nfs/dbraw/zinc/20/89/84/354208984.db2.gz VTVMANATALBISB-GHMZBOCLSA-N 2 0 280.376 -0.212 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424129055 354209623 /nfs/dbraw/zinc/20/96/23/354209623.db2.gz FYWYXBUUNXUXMH-NWDGAFQWSA-N 2 0 292.387 -0.116 20 0 CBADRP C[NH+]1CCN(c2ncccc2CNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424140861 354210781 /nfs/dbraw/zinc/21/07/81/354210781.db2.gz FUEYXGGGUAKYPX-OLZOCXBDSA-N 2 0 289.383 -0.203 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000424141124 354210884 /nfs/dbraw/zinc/21/08/84/354210884.db2.gz GVHAJDFXMWUEGJ-QCNOEVLYSA-N 2 0 255.362 -0.363 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424157959 354211648 /nfs/dbraw/zinc/21/16/48/354211648.db2.gz SBNRYMBYVIEYNY-VHSXEESVSA-N 2 0 266.349 -0.330 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)CCO1 ZINC000424160473 354212015 /nfs/dbraw/zinc/21/20/15/354212015.db2.gz WVAIHMVJGSMPBF-WDEREUQCSA-N 2 0 293.371 -0.324 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424153403 354212335 /nfs/dbraw/zinc/21/23/35/354212335.db2.gz KYHVMMNKTHTKDY-NEPJUHHUSA-N 2 0 254.378 -0.523 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000424193067 354218292 /nfs/dbraw/zinc/21/82/92/354218292.db2.gz JPKXTRJDDYSIDC-FRRDWIJNSA-N 2 0 295.383 -0.798 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428195719 354246154 /nfs/dbraw/zinc/24/61/54/354246154.db2.gz YLLXGMKGDJZEHB-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@H]1C[NH+](CCCCNC(=O)[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000446289197 354286656 /nfs/dbraw/zinc/28/66/56/354286656.db2.gz PQFQCUAJTRAJDX-IHRRRGAJSA-N 2 0 299.415 -0.020 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000446362791 354286878 /nfs/dbraw/zinc/28/68/78/354286878.db2.gz IZMVHIBOWXYWSV-NWDGAFQWSA-N 2 0 272.368 -0.560 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000447434499 354298470 /nfs/dbraw/zinc/29/84/70/354298470.db2.gz HCYGAZWMZXBXDV-QWHCGFSZSA-N 2 0 285.388 -0.469 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000447442398 354298605 /nfs/dbraw/zinc/29/86/05/354298605.db2.gz QBRFDGIRYRJEJA-UONOGXRCSA-N 2 0 299.415 -0.079 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000447434498 354298647 /nfs/dbraw/zinc/29/86/47/354298647.db2.gz HCYGAZWMZXBXDV-OLZOCXBDSA-N 2 0 285.388 -0.469 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000447434590 354298705 /nfs/dbraw/zinc/29/87/05/354298705.db2.gz HSXXCKBXOLLXCU-CYBMUJFWSA-N 2 0 285.388 -0.327 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000447436576 354298894 /nfs/dbraw/zinc/29/88/94/354298894.db2.gz ADOBDMVSULDHMT-ADEWGFFLSA-N 2 0 255.362 -0.051 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000447523412 354299936 /nfs/dbraw/zinc/29/99/36/354299936.db2.gz UEXDSQDPBUYPOT-QWHCGFSZSA-N 2 0 268.405 -0.119 20 0 CBADRP O=C(NCCC[NH+]1CCCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000448595396 354315817 /nfs/dbraw/zinc/31/58/17/354315817.db2.gz HLGFWTFLDPAKIM-CQSZACIVSA-N 2 0 280.416 -0.022 20 0 CBADRP C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H](C)[NH3+] ZINC000449601668 354320647 /nfs/dbraw/zinc/32/06/47/354320647.db2.gz NNSPVJQFDGZYIK-AXFHLTTASA-N 2 0 270.377 -0.752 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449697484 354321841 /nfs/dbraw/zinc/32/18/41/354321841.db2.gz MGCBCLBOEFDHOC-YNEHKIRRSA-N 2 0 268.405 -0.086 20 0 CBADRP CCC[C@@H]([NH3+])C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000489475955 354433167 /nfs/dbraw/zinc/43/31/67/354433167.db2.gz KJFFHODRGTUIMC-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+](C)[C@@]1(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CCSC1 ZINC000479285378 354407252 /nfs/dbraw/zinc/40/72/52/354407252.db2.gz LPBAGFVWOHHGKF-CKYFFXLPSA-N 2 0 273.402 -0.737 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479279196 354407461 /nfs/dbraw/zinc/40/74/61/354407461.db2.gz IKENJHYZPILXDX-KXNHARMFSA-N 2 0 253.346 -0.548 20 0 CBADRP C[C@@H]1[C@H](CO)CC[NH+]1C[C@@H](O)C[N@H+]1CC[C@H](CO)[C@H]1C ZINC000488743438 354427013 /nfs/dbraw/zinc/42/70/13/354427013.db2.gz IGNLASADOKKTGM-ZSAUSMIDSA-N 2 0 286.416 -0.247 20 0 CBADRP C[C@H]1COCCN1CCNC(=O)/C=C\C[NH+](C)C ZINC000491869303 354461337 /nfs/dbraw/zinc/46/13/37/354461337.db2.gz NABRCUAAXLRPJD-RXNFCKPNSA-N 2 0 255.362 -0.059 20 0 CBADRP CN(C[C@H](O)CN1CCOCC1)C(=O)/C=C/C[NH+](C)C ZINC000492101896 354466654 /nfs/dbraw/zinc/46/66/54/354466654.db2.gz DWNFORBNGZZKAM-IHVVCDCBSA-N 2 0 285.388 -0.744 20 0 CBADRP COC(=O)NCCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000493072143 354487512 /nfs/dbraw/zinc/48/75/12/354487512.db2.gz DQVNYGZYYBQSPM-UHFFFAOYSA-N 2 0 288.392 -0.316 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000516065942 354556662 /nfs/dbraw/zinc/55/66/62/354556662.db2.gz ZIYOWUFKUYUPJW-LLVKDONJSA-N 2 0 271.361 -0.321 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000515840050 354557198 /nfs/dbraw/zinc/55/71/98/354557198.db2.gz CKJCLFVSEKAWOX-RYUDHWBXSA-N 2 0 255.362 -0.192 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000520585710 354568406 /nfs/dbraw/zinc/56/84/06/354568406.db2.gz ZBQCRARHPRYHPW-RYUDHWBXSA-N 2 0 280.372 -0.793 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000520585708 354568597 /nfs/dbraw/zinc/56/85/97/354568597.db2.gz ZBQCRARHPRYHPW-NEPJUHHUSA-N 2 0 280.372 -0.793 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000521986558 354570423 /nfs/dbraw/zinc/57/04/23/354570423.db2.gz LNVUHBLYANQEMA-WDEREUQCSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)NC[C@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC000529311278 354583272 /nfs/dbraw/zinc/58/32/72/354583272.db2.gz DHORVBCPQDZFGQ-UTUOFQBUSA-N 2 0 270.377 -0.243 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000529309032 354583457 /nfs/dbraw/zinc/58/34/57/354583457.db2.gz XSEGAETUCOGANK-KGLIPLIRSA-N 2 0 297.447 -0.128 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000529309030 354583698 /nfs/dbraw/zinc/58/36/98/354583698.db2.gz XSEGAETUCOGANK-KBPBESRZSA-N 2 0 297.447 -0.128 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)[C@H](C)C[NH2+]1 ZINC000529390506 354585495 /nfs/dbraw/zinc/58/54/95/354585495.db2.gz VGEKUOLBEOWXNJ-MXWKQRLJSA-N 2 0 256.350 -0.633 20 0 CBADRP CC1(C)CN(C(=O)NC[C@H]2COCC[NH2+]2)CC[NH2+]1 ZINC000529390809 354585639 /nfs/dbraw/zinc/58/56/39/354585639.db2.gz WGPPWNCHHPQARE-JTQLQIEISA-N 2 0 256.350 -0.632 20 0 CBADRP [NH3+]CC[C@H]1CCCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529390764 354585733 /nfs/dbraw/zinc/58/57/33/354585733.db2.gz VWLGJUQLJFGCBG-NEPJUHHUSA-N 2 0 270.377 -0.255 20 0 CBADRP CN(CC[NH+](C)C)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000534278509 354596007 /nfs/dbraw/zinc/59/60/07/354596007.db2.gz PERYZNUUWJTMDD-LBPRGKRZSA-N 2 0 254.378 -0.604 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000541818823 354627460 /nfs/dbraw/zinc/62/74/60/354627460.db2.gz GUVDISFMWVZHIX-CYBMUJFWSA-N 2 0 285.436 -0.175 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000545176911 354643632 /nfs/dbraw/zinc/64/36/32/354643632.db2.gz WHLTTYNYZALRQF-OAHLLOKOSA-N 2 0 296.415 -0.021 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000547296320 354657745 /nfs/dbraw/zinc/65/77/45/354657745.db2.gz XIDABEJPAWDJOR-GUTXKFCHSA-N 2 0 296.415 -0.021 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@@H]1O ZINC000556973637 354684468 /nfs/dbraw/zinc/68/44/68/354684468.db2.gz HDQDQGKWMVGSTJ-KBPBESRZSA-N 2 0 281.400 -0.006 20 0 CBADRP CC(C)NS(=O)(=O)CCNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000562988437 354690610 /nfs/dbraw/zinc/69/06/10/354690610.db2.gz ZRFQIPGOJLTNTJ-GFCCVEGCSA-N 2 0 293.433 -0.641 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000563091977 354695930 /nfs/dbraw/zinc/69/59/30/354695930.db2.gz HZDIXIIHFUFYRK-ONGXEEELSA-N 2 0 269.345 -0.523 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000563110033 354697516 /nfs/dbraw/zinc/69/75/16/354697516.db2.gz ATZGKJWHGYFOMQ-VIFPVBQESA-N 2 0 257.334 -0.617 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000563117006 354697584 /nfs/dbraw/zinc/69/75/84/354697584.db2.gz RGVNITXEABCISX-KGLIPLIRSA-N 2 0 297.399 -0.266 20 0 CBADRP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)COCc1ccccc1F ZINC000563143355 354699261 /nfs/dbraw/zinc/69/92/61/354699261.db2.gz QVYAAFNAANUZCV-CHWSQXEVSA-N 2 0 286.347 -0.127 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000563158400 354699795 /nfs/dbraw/zinc/69/97/95/354699795.db2.gz NGQIXMZZMFRAPV-LLVKDONJSA-N 2 0 265.361 -0.327 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]C3CC3)C2)O1 ZINC000563160046 354701091 /nfs/dbraw/zinc/70/10/91/354701091.db2.gz NWLDUAXJQYNKJC-UTUOFQBUSA-N 2 0 253.346 -0.154 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000563160529 354701094 /nfs/dbraw/zinc/70/10/94/354701094.db2.gz VKJGXWBXADEVLF-DYEKYZERSA-N 2 0 298.431 -0.116 20 0 CBADRP C[N@@H+]1CCC[C@@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000563198270 354702100 /nfs/dbraw/zinc/70/21/00/354702100.db2.gz NEOXQXSRUSPDGZ-NWDGAFQWSA-N 2 0 282.388 -0.687 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)CN(C)C[C@@H](O)C[NH3+])CC1 ZINC000563216325 354703828 /nfs/dbraw/zinc/70/38/28/354703828.db2.gz XRQFYAOWKCVMMX-ZDUSSCGKSA-N 2 0 286.420 -0.773 20 0 CBADRP CC(C)[NH2+]CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563976902 354709175 /nfs/dbraw/zinc/70/91/75/354709175.db2.gz RMHJQCXBSPGXSN-SNVBAGLBSA-N 2 0 296.337 -0.063 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)CCC1CC[NH2+]CC1 ZINC000563957856 354709191 /nfs/dbraw/zinc/70/91/91/354709191.db2.gz TVYUCLUICIAWSM-CYBMUJFWSA-N 2 0 268.405 -0.214 20 0 CBADRP COC(=O)CN1CCC[C@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000564081967 354709507 /nfs/dbraw/zinc/70/95/07/354709507.db2.gz OVBOWUNHALVWOU-DOMZBBRYSA-N 2 0 297.399 -0.013 20 0 CBADRP COC(=O)CN1CCC[C@H](CNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000564081968 354709764 /nfs/dbraw/zinc/70/97/64/354709764.db2.gz OVBOWUNHALVWOU-IUODEOHRSA-N 2 0 297.399 -0.013 20 0 CBADRP C[C@H](C[NH3+])NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000564656279 354714870 /nfs/dbraw/zinc/71/48/70/354714870.db2.gz RQOYKEKXXUEOHQ-MWLCHTKSSA-N 2 0 251.334 -0.115 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000564932844 354720839 /nfs/dbraw/zinc/72/08/39/354720839.db2.gz JRWASVHVKJXRAG-KGLIPLIRSA-N 2 0 296.415 -0.739 20 0 CBADRP CC(C)(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH2+]CC1 ZINC000564932919 354721196 /nfs/dbraw/zinc/72/11/96/354721196.db2.gz AHFZJXZUFPVUFL-STQMWFEESA-N 2 0 280.416 -0.262 20 0 CBADRP C[C@H](C[NH3+])NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000564950355 354721910 /nfs/dbraw/zinc/72/19/10/354721910.db2.gz SMZZHJRFDQLRGC-ORXSELOVSA-N 2 0 255.362 -0.018 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000564948714 354722159 /nfs/dbraw/zinc/72/21/59/354722159.db2.gz IRLKCOUIPSCJNB-ZJUUUORDSA-N 2 0 256.350 -0.820 20 0 CBADRP CCC[N@H+](C)CC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000564944238 354722291 /nfs/dbraw/zinc/72/22/91/354722291.db2.gz GVAJDKXHDHFETJ-UHFFFAOYSA-N 2 0 281.364 -0.505 20 0 CBADRP [NH3+][C@H]1C[C@@H]2C[N@H+](CC3CCOCC3)CCN2C1=O ZINC000565233704 354733875 /nfs/dbraw/zinc/73/38/75/354733875.db2.gz OXGCEKOEVFXQSS-NEPJUHHUSA-N 2 0 253.346 -0.343 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000564969459 354723018 /nfs/dbraw/zinc/72/30/18/354723018.db2.gz XUSUXRPVRRQZHQ-CHWSQXEVSA-N 3 0 268.405 -0.227 20 0 CBADRP CN1CCN(C(=O)CCN2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000564986656 354723660 /nfs/dbraw/zinc/72/36/60/354723660.db2.gz BTSOWMQTJRNGAE-KBPBESRZSA-N 3 0 280.416 -0.308 20 0 CBADRP C[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000564989357 354724427 /nfs/dbraw/zinc/72/44/27/354724427.db2.gz MUISKBCAAAGCNT-NWDGAFQWSA-N 3 0 254.378 -0.523 20 0 CBADRP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000564989356 354724537 /nfs/dbraw/zinc/72/45/37/354724537.db2.gz MUISKBCAAAGCNT-NEPJUHHUSA-N 3 0 254.378 -0.523 20 0 CBADRP [NH3+][C@H]1CCc2ncc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)cc2C1 ZINC000564992733 354724786 /nfs/dbraw/zinc/72/47/86/354724786.db2.gz BLJUTUJXCZPNOX-XHVZSJERSA-N 2 0 276.340 -0.441 20 0 CBADRP COC[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000564988639 354725043 /nfs/dbraw/zinc/72/50/43/354725043.db2.gz KQDYJCKYGLVODN-OLZOCXBDSA-N 2 0 285.388 -0.456 20 0 CBADRP CC(C)[C@@H](C(=O)NCCN1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000565774023 354745784 /nfs/dbraw/zinc/74/57/84/354745784.db2.gz NHWUJCGLDQIGKL-NWDGAFQWSA-N 2 0 256.394 -0.373 20 0 CBADRP CCN1CCO[C@@H](C(=O)NCC2CC[NH2+]CC2)C1 ZINC000565774173 354745818 /nfs/dbraw/zinc/74/58/18/354745818.db2.gz XBACSBMQDDAZBO-GFCCVEGCSA-N 2 0 255.362 -0.177 20 0 CBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CCN2C1=O ZINC000565785938 354746690 /nfs/dbraw/zinc/74/66/90/354746690.db2.gz HMEQTWNUSPZVCM-OLZOCXBDSA-N 2 0 299.334 -0.282 20 0 CBADRP CN1CCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)[C@H](C[NH3+])C1 ZINC000565948719 354748577 /nfs/dbraw/zinc/74/85/77/354748577.db2.gz HHVUAAZQAATVMB-ZYHUDNBSSA-N 2 0 280.372 -0.901 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000565930932 354748784 /nfs/dbraw/zinc/74/87/84/354748784.db2.gz ZXGXOLUJJDKILU-LSDHHAIUSA-N 2 0 285.432 -0.047 20 0 CBADRP C[C@H](CNC(=O)[C@@H]([NH3+])C1CCC1)N1CC[NH+](C)CC1 ZINC000566177650 354755242 /nfs/dbraw/zinc/75/52/42/354755242.db2.gz LDRSKGVSGKLPLF-YPMHNXCESA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000566192613 354756120 /nfs/dbraw/zinc/75/61/20/354756120.db2.gz OXHOWYHZCBPTQV-TUAOUCFPSA-N 2 0 299.419 -0.249 20 0 CBADRP COC[C@]1(CNC(=O)C2CC[NH2+]CC2)CCC[NH2+]1 ZINC000566204614 354756957 /nfs/dbraw/zinc/75/69/57/354756957.db2.gz UHIBGFFQYMFRRO-CYBMUJFWSA-N 2 0 255.362 -0.129 20 0 CBADRP COC[C@]1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]C1 ZINC000566206139 354757271 /nfs/dbraw/zinc/75/72/71/354757271.db2.gz QPVXYRAGKBTWPF-LOWVWBTDSA-N 2 0 253.346 -0.710 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000566286675 354761565 /nfs/dbraw/zinc/76/15/65/354761565.db2.gz QUSLDYJRPYLVNA-SDDRHHMPSA-N 2 0 282.388 -0.573 20 0 CBADRP COC[C@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000566620232 354771640 /nfs/dbraw/zinc/77/16/40/354771640.db2.gz TUBPSHUDIKMZSN-QWHCGFSZSA-N 2 0 260.378 -0.180 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000567613897 354791793 /nfs/dbraw/zinc/79/17/93/354791793.db2.gz SSUNPSPVUAQLHY-LOWDOPEQSA-N 2 0 296.415 -0.077 20 0 CBADRP C[NH2+]CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000566677945 354772874 /nfs/dbraw/zinc/77/28/74/354772874.db2.gz ZSXFIONCWIVTPF-QMMMGPOBSA-N 2 0 268.283 -0.842 20 0 CBADRP C[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)O1 ZINC000566674151 354772991 /nfs/dbraw/zinc/77/29/91/354772991.db2.gz TVYCFWNMESCDGJ-RDBSUJKOSA-N 2 0 271.405 -0.248 20 0 CBADRP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000566797981 354775298 /nfs/dbraw/zinc/77/52/98/354775298.db2.gz UDYHHXROFUAJMS-UONOGXRCSA-N 2 0 268.357 -0.266 20 0 CBADRP CN(C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H]1CC[NH2+]C1 ZINC000566796831 354775582 /nfs/dbraw/zinc/77/55/82/354775582.db2.gz OFXAYTQIUADPKP-RYUDHWBXSA-N 2 0 254.378 -0.523 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@H](C[NH3+])C2CCCC2)nn1 ZINC000566850489 354776496 /nfs/dbraw/zinc/77/64/96/354776496.db2.gz CZNHUAXMXLSGFZ-LLVKDONJSA-N 2 0 280.376 -0.126 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000567165741 354782512 /nfs/dbraw/zinc/78/25/12/354782512.db2.gz WSZIVWFIORPTDL-CYBMUJFWSA-N 2 0 268.405 -0.118 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000567262420 354783885 /nfs/dbraw/zinc/78/38/85/354783885.db2.gz OAOXPKWFCHJEGB-CABCVRRESA-N 2 0 286.464 -0.085 20 0 CBADRP C[C@H](CC(=O)NCC(=O)N1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000567267542 354785048 /nfs/dbraw/zinc/78/50/48/354785048.db2.gz AZVTXINIGIHLSN-OLZOCXBDSA-N 2 0 296.415 -0.440 20 0 CBADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000567271694 354785113 /nfs/dbraw/zinc/78/51/13/354785113.db2.gz LRLZNLSXOREOLY-NXEZZACHSA-N 2 0 270.377 -0.656 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC[N@H+]1CC=CCC1 ZINC000567468941 354788853 /nfs/dbraw/zinc/78/88/53/354788853.db2.gz IECWWAPQVJOVHP-CYBMUJFWSA-N 2 0 294.399 -0.377 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CCC[NH3+] ZINC000565256037 354735266 /nfs/dbraw/zinc/73/52/66/354735266.db2.gz YJZDVHOXOWJHJV-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565372379 354736823 /nfs/dbraw/zinc/73/68/23/354736823.db2.gz NYRUFJSQIDBOBQ-IVZWLZJFSA-N 2 0 268.361 -0.870 20 0 CBADRP C[NH2+]CCC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000565420850 354737673 /nfs/dbraw/zinc/73/76/73/354737673.db2.gz RNFKDOHNGGFEMU-UHFFFAOYSA-N 2 0 268.405 -0.072 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000565471035 354738836 /nfs/dbraw/zinc/73/88/36/354738836.db2.gz JBKUQURKGFSBLH-LBPRGKRZSA-N 2 0 271.409 -0.341 20 0 CBADRP C[C@H](C[NH2+]CCOCC[NH+](C)C)S(C)(=O)=O ZINC000565593694 354741244 /nfs/dbraw/zinc/74/12/44/354741244.db2.gz KENXSNJTQNIKFV-SNVBAGLBSA-N 2 0 252.380 -0.413 20 0 CBADRP CC1CC[NH+](CCCCNC(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000567573492 354790279 /nfs/dbraw/zinc/79/02/79/354790279.db2.gz GTZYODJMBBCARQ-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP COC[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC000565652097 354742952 /nfs/dbraw/zinc/74/29/52/354742952.db2.gz JWXQDBMDWXMRSB-MBNYWOFBSA-N 2 0 267.373 -0.035 20 0 CBADRP CC1CC[NH+](CC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000565727101 354744982 /nfs/dbraw/zinc/74/49/82/354744982.db2.gz CIVCFWNUCNHXJJ-OLZOCXBDSA-N 2 0 294.399 -0.511 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC2(CC[NH2+]C2)CC1 ZINC000567814459 354798111 /nfs/dbraw/zinc/79/81/11/354798111.db2.gz ODMSCMCOUZIEIL-GFCCVEGCSA-N 2 0 267.373 -0.033 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CCC2(CC[NH2+]C2)CC1 ZINC000567814460 354798150 /nfs/dbraw/zinc/79/81/50/354798150.db2.gz ODMSCMCOUZIEIL-LBPRGKRZSA-N 2 0 267.373 -0.033 20 0 CBADRP CN1CCN(C(=O)NCc2ccc(C[NH3+])cc2)[C@H](C[NH3+])C1 ZINC000567819850 354799002 /nfs/dbraw/zinc/79/90/02/354799002.db2.gz ALLJGSINVJMABF-CQSZACIVSA-N 2 0 291.399 -0.070 20 0 CBADRP COC[C@]1(CNC(=O)C2(COC)CC[NH2+]CC2)CCC[NH2+]1 ZINC000567836250 354800117 /nfs/dbraw/zinc/80/01/17/354800117.db2.gz MSNSWHUQUWENAS-OAHLLOKOSA-N 2 0 299.415 -0.113 20 0 CBADRP [NH3+]CCC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000567845310 354800906 /nfs/dbraw/zinc/80/09/06/354800906.db2.gz SNNIPTDYLQKDGX-UHFFFAOYSA-N 2 0 254.378 -0.332 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000567848157 354801020 /nfs/dbraw/zinc/80/10/20/354801020.db2.gz YFCUZMFGCZPOLL-APOZVJGGSA-N 2 0 261.329 -0.566 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000567839313 354801021 /nfs/dbraw/zinc/80/10/21/354801021.db2.gz JJUFXCBKOUGWCA-UUIJZJDISA-N 2 0 297.399 -0.295 20 0 CBADRP CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000567894869 354803664 /nfs/dbraw/zinc/80/36/64/354803664.db2.gz ZOZMPEOCJSGZSW-NSHDSACASA-N 2 0 279.406 -0.636 20 0 CBADRP CCC(=O)N[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000567897478 354804003 /nfs/dbraw/zinc/80/40/03/354804003.db2.gz UMBONDGFMOFUPB-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567975352 354806911 /nfs/dbraw/zinc/80/69/11/354806911.db2.gz RHFLVSKMGCRNRA-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000567983003 354806957 /nfs/dbraw/zinc/80/69/57/354806957.db2.gz FYPOCQBGVDCLDU-JSGCOSHPSA-N 2 0 268.405 -0.119 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@H](C)[N@H+](C)C2CC2)C1 ZINC000567973975 354807234 /nfs/dbraw/zinc/80/72/34/354807234.db2.gz CRPUFNTYYUQARS-MVWJERBFSA-N 2 0 255.362 -0.038 20 0 CBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@](C)(O)C[NH+](C)C)n1 ZINC000568195664 354814366 /nfs/dbraw/zinc/81/43/66/354814366.db2.gz NILQGJXUFBCJPA-AWEZNQCLSA-N 2 0 297.403 -0.513 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000568230387 354816396 /nfs/dbraw/zinc/81/63/96/354816396.db2.gz YJWRBGJOHBMYQE-NWDGAFQWSA-N 2 0 254.378 -0.604 20 0 CBADRP CC(C)[C@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@@H](C)[NH3+] ZINC000568264722 354819469 /nfs/dbraw/zinc/81/94/69/354819469.db2.gz UEXDGHNPSKGZOF-ZJUUUORDSA-N 2 0 295.391 -0.228 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000568290518 354820299 /nfs/dbraw/zinc/82/02/99/354820299.db2.gz LKICURDJCQDPFL-RYUDHWBXSA-N 2 0 297.403 -0.623 20 0 CBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000568391233 354823370 /nfs/dbraw/zinc/82/33/70/354823370.db2.gz KJYHFCIPEBTABN-VXGBXAGGSA-N 2 0 254.378 -0.604 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000568395853 354823673 /nfs/dbraw/zinc/82/36/73/354823673.db2.gz AJVMCWJBGPQFTP-AAEUAGOBSA-N 2 0 284.404 -0.408 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000568399297 354823750 /nfs/dbraw/zinc/82/37/50/354823750.db2.gz IUCINHYYIXIMTB-LBPRGKRZSA-N 2 0 268.405 -0.119 20 0 CBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000568391231 354823803 /nfs/dbraw/zinc/82/38/03/354823803.db2.gz KJYHFCIPEBTABN-NWDGAFQWSA-N 2 0 254.378 -0.604 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000568392602 354823815 /nfs/dbraw/zinc/82/38/15/354823815.db2.gz MZPINPTYQXZYKN-NSHDSACASA-N 2 0 298.387 -0.481 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000568527150 354826385 /nfs/dbraw/zinc/82/63/85/354826385.db2.gz QKCZNADIXDXYKV-GHMZBOCLSA-N 2 0 271.361 -0.181 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000568526332 354826696 /nfs/dbraw/zinc/82/66/96/354826696.db2.gz ALVKKSJVEJIYPR-AGIUHOORSA-N 2 0 296.415 -0.265 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000567669687 354793790 /nfs/dbraw/zinc/79/37/90/354793790.db2.gz BCARUOGEWOBXLL-NSHDSACASA-N 2 0 279.344 -0.597 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000570716401 354867903 /nfs/dbraw/zinc/86/79/03/354867903.db2.gz JJZTWLLDYVJFEJ-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000570799288 354869718 /nfs/dbraw/zinc/86/97/18/354869718.db2.gz LGQDKBPYYXGIOE-GHMZBOCLSA-N 2 0 260.382 -0.010 20 0 CBADRP COC(=O)CN1CCC[C@H](CNC(=O)[C@@H](C)[NH3+])C1 ZINC000570962332 354873759 /nfs/dbraw/zinc/87/37/59/354873759.db2.gz WTRGHKDXDNGIKD-NXEZZACHSA-N 2 0 257.334 -0.665 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000571031363 354875747 /nfs/dbraw/zinc/87/57/47/354875747.db2.gz IZYUNEXYCVOXMO-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H]1C[N@H+](CCC(=O)N2CCN(C)CC2)CC[C@@H]1[NH3+] ZINC000571047363 354875934 /nfs/dbraw/zinc/87/59/34/354875934.db2.gz VAFLOCMOXHSTNJ-OLZOCXBDSA-N 3 0 268.405 -0.180 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000569118216 354839136 /nfs/dbraw/zinc/83/91/36/354839136.db2.gz CXQKZALTJMMFOC-TXEJJXNPSA-N 2 0 255.362 -0.320 20 0 CBADRP CNC(=O)[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000569223281 354839928 /nfs/dbraw/zinc/83/99/28/354839928.db2.gz WHLFIXGQZSSTSE-GFCCVEGCSA-N 2 0 255.362 -0.177 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000569220642 354840292 /nfs/dbraw/zinc/84/02/92/354840292.db2.gz ZXOYXZPMZKYADU-DCAQKATOSA-N 2 0 271.361 -0.147 20 0 CBADRP COC[C@]1(CNC(=O)[C@@H]2CC[NH2+][C@H]2C)CCC[NH2+]1 ZINC000569240436 354841120 /nfs/dbraw/zinc/84/11/20/354841120.db2.gz TWZGQBVTXGRTJM-DMDPSCGWSA-N 2 0 255.362 -0.131 20 0 CBADRP COC(=O)C(C)(C)CCN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000569260940 354841956 /nfs/dbraw/zinc/84/19/56/354841956.db2.gz WWYLVFANUYPUFK-MNOVXSKESA-N 2 0 283.372 -0.181 20 0 CBADRP COC(=O)C(C)(C)CCN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000569260942 354842181 /nfs/dbraw/zinc/84/21/81/354842181.db2.gz WWYLVFANUYPUFK-QWRGUYRKSA-N 2 0 283.372 -0.181 20 0 CBADRP CCOC(=O)C1([C@@H](C)NC2C[NH2+]C2)CC[NH2+]CC1 ZINC000569330397 354842848 /nfs/dbraw/zinc/84/28/48/354842848.db2.gz WUKAXFYBIRLZJT-SNVBAGLBSA-N 2 0 255.362 -0.131 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000569723718 354845178 /nfs/dbraw/zinc/84/51/78/354845178.db2.gz LEYIZQQMNKJPRK-GFCCVEGCSA-N 2 0 254.378 -0.556 20 0 CBADRP COC[C@]1(CNC(=O)[C@H](C)C2C[NH2+]C2)CCC[NH2+]1 ZINC000569925859 354849658 /nfs/dbraw/zinc/84/96/58/354849658.db2.gz ADHSBQLIJQFBON-ZWNOBZJWSA-N 2 0 255.362 -0.273 20 0 CBADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)NC2C[NH2+]C2)c1 ZINC000570188975 354856235 /nfs/dbraw/zinc/85/62/35/354856235.db2.gz TYAJYMRPMXWIOG-UHFFFAOYSA-N 2 0 290.367 -0.548 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000571762747 354878904 /nfs/dbraw/zinc/87/89/04/354878904.db2.gz KUBREEMTWORYFJ-CHWSQXEVSA-N 3 0 268.405 -0.227 20 0 CBADRP CN1CC[C@H]([N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000570280671 354858572 /nfs/dbraw/zinc/85/85/72/354858572.db2.gz FAMZJYDIUUPXBU-OLZOCXBDSA-N 2 0 294.399 -0.639 20 0 CBADRP C[NH2+]CCCN(C)C(=O)[C@@H]([NH2+]C)c1cnn(C)c1 ZINC000570330988 354859382 /nfs/dbraw/zinc/85/93/82/354859382.db2.gz UAXBSIZAVJASOS-NSHDSACASA-N 2 0 253.350 -0.252 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000570449382 354862091 /nfs/dbraw/zinc/86/20/91/354862091.db2.gz ZSRPEMUZNXLPKY-UWVGGRQHSA-N 2 0 259.350 -0.099 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C)[NH2+]C)CC1 ZINC000570580763 354864787 /nfs/dbraw/zinc/86/47/87/354864787.db2.gz DHUCDPKPTTYQNL-RYUDHWBXSA-N 2 0 256.394 -0.264 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000572117309 354886352 /nfs/dbraw/zinc/88/63/52/354886352.db2.gz AXNWUNRXKCCOSN-NSHDSACASA-N 2 0 271.361 -0.181 20 0 CBADRP CN1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)[C@H](C[NH3+])C1 ZINC000572134354 354887337 /nfs/dbraw/zinc/88/73/37/354887337.db2.gz HCCZGQYZFGFYDZ-NWDGAFQWSA-N 2 0 269.393 -0.635 20 0 CBADRP CN(C)C(=O)CC[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000572159563 354888062 /nfs/dbraw/zinc/88/80/62/354888062.db2.gz RUSSKJHQTYCZLC-GFCCVEGCSA-N 2 0 282.388 -0.639 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](C[C@H](C)O)C[C@@H]1C ZINC000572254786 354888997 /nfs/dbraw/zinc/88/89/97/354888997.db2.gz ZGKSXKMKRCQTNS-IHRRRGAJSA-N 2 0 273.421 -0.314 20 0 CBADRP C([C@@H]1CCC[NH2+]C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000572643091 354893965 /nfs/dbraw/zinc/89/39/65/354893965.db2.gz IVJXTFJGPAELMC-KGLIPLIRSA-N 2 0 252.406 -0.035 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000572736047 354897175 /nfs/dbraw/zinc/89/71/75/354897175.db2.gz IORUWRVNXCEJRE-QNWHQSFQSA-N 2 0 294.399 -0.370 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000573108246 354904835 /nfs/dbraw/zinc/90/48/35/354904835.db2.gz XFZRXLMKHMTAED-OLZOCXBDSA-N 2 0 294.399 -0.367 20 0 CBADRP C(C[N@@H+]1CCC[C@H]1CN1CCOCC1)N1CC[NH2+]CC1 ZINC000573124005 354905728 /nfs/dbraw/zinc/90/57/28/354905728.db2.gz ROJPWFGDTYRDOI-HNNXBMFYSA-N 2 0 282.432 -0.312 20 0 CBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](COCCOC)C1 ZINC000573126260 354906093 /nfs/dbraw/zinc/90/60/93/354906093.db2.gz MOMTZZWQKLPUKI-OLZOCXBDSA-N 2 0 260.378 -0.058 20 0 CBADRP COC(=O)c1cc(CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c[nH]1 ZINC000573266583 354909411 /nfs/dbraw/zinc/90/94/11/354909411.db2.gz GFSZTEBAVYIKLK-MNOVXSKESA-N 2 0 292.339 -0.455 20 0 CBADRP C[C@@H]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000573443317 354913206 /nfs/dbraw/zinc/91/32/06/354913206.db2.gz HBHQVZGBXCDINC-JHJVBQTASA-N 2 0 296.415 -0.312 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N[C@H]1CC[NH2+]C1 ZINC000573507452 354914985 /nfs/dbraw/zinc/91/49/85/354914985.db2.gz YRVBNFHBNCKCKP-TUAOUCFPSA-N 2 0 280.372 -0.793 20 0 CBADRP C[C@H]([NH3+])CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000571801973 354881100 /nfs/dbraw/zinc/88/11/00/354881100.db2.gz BEAVUMFLDQGBOD-YNEHKIRRSA-N 3 0 268.405 -0.086 20 0 CBADRP CN1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)[C@H](C[NH3+])C1 ZINC000571865978 354881928 /nfs/dbraw/zinc/88/19/28/354881928.db2.gz AMOFTWIKIHFXAB-ZJUUUORDSA-N 2 0 291.346 -0.732 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000573723967 354919560 /nfs/dbraw/zinc/91/95/60/354919560.db2.gz JCRHQOGNYLBGNH-TUAOUCFPSA-N 2 0 284.404 -0.327 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000573819656 354921634 /nfs/dbraw/zinc/92/16/34/354921634.db2.gz CHUHKXMBTDSTNN-RYUDHWBXSA-N 2 0 269.393 -0.717 20 0 CBADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000573942692 354925009 /nfs/dbraw/zinc/92/50/09/354925009.db2.gz HXERLNKTWFNDBK-CYBMUJFWSA-N 2 0 296.415 -0.299 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1CC[NH2+]1 ZINC000573954141 354925422 /nfs/dbraw/zinc/92/54/22/354925422.db2.gz VXHUNWDJNQPUEY-GHMZBOCLSA-N 2 0 268.361 -0.806 20 0 CBADRP O=C(NCC[C@H]1CCC[NH2+]1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000574915643 354931098 /nfs/dbraw/zinc/93/10/98/354931098.db2.gz OASOYPSAIRJEJC-NEPJUHHUSA-N 2 0 292.387 -0.098 20 0 CBADRP CC[C@]1(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CCC[NH2+]1 ZINC000579025980 354960827 /nfs/dbraw/zinc/96/08/27/354960827.db2.gz OOTQWHAXLCTXDH-MISXGVKJSA-N 2 0 280.372 -0.711 20 0 CBADRP COC[C@]1(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC[NH2+]C1 ZINC000575915692 354937826 /nfs/dbraw/zinc/93/78/26/354937826.db2.gz LCVQIAAIZBNZLW-MDZLAQPJSA-N 2 0 255.362 -0.192 20 0 CBADRP C[C@@]1(C[NH3+])CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000578126930 354938955 /nfs/dbraw/zinc/93/89/55/354938955.db2.gz HXWXVQSDBLMICP-AAEUAGOBSA-N 2 0 255.362 -0.048 20 0 CBADRP CC[NH+]1CCN(CCC(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000578196517 354940907 /nfs/dbraw/zinc/94/09/07/354940907.db2.gz LEKIKHVWVDDFIV-AWEZNQCLSA-N 2 0 297.447 -0.966 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000578191456 354940993 /nfs/dbraw/zinc/94/09/93/354940993.db2.gz NTPVRQVQZJFGIG-VHSXEESVSA-N 2 0 266.349 -0.645 20 0 CBADRP C[C@@H](C(=O)NCCN1CC[NH+](C)CC1)[NH+]1CC(C)C1 ZINC000578451262 354946878 /nfs/dbraw/zinc/94/68/78/354946878.db2.gz ZVPUTZINPSMGCF-ZDUSSCGKSA-N 2 0 268.405 -0.310 20 0 CBADRP C[C@@H](CNC(=O)CC[NH2+]C1CC1)N1CC[NH+](C)CC1 ZINC000578522843 354948893 /nfs/dbraw/zinc/94/88/93/354948893.db2.gz YSDOMJKAZCOFBD-LBPRGKRZSA-N 2 0 268.405 -0.119 20 0 CBADRP [NH3+]CCCOC1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000578551995 354949545 /nfs/dbraw/zinc/94/95/45/354949545.db2.gz VRCWBUMSVCDTNN-NSHDSACASA-N 2 0 270.377 -0.112 20 0 CBADRP COC(=O)CN(C)C(=O)CC[NH+]1CCC(C[NH3+])CC1 ZINC000578626975 354949804 /nfs/dbraw/zinc/94/98/04/354949804.db2.gz GLAQMLBSODIIDG-UHFFFAOYSA-N 2 0 271.361 -0.321 20 0 CBADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@H]1CC[NH2+]C1 ZINC000579026263 354961314 /nfs/dbraw/zinc/96/13/14/354961314.db2.gz UPBVVNSRENSTFS-RYUDHWBXSA-N 2 0 270.377 -0.506 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000578863700 354956295 /nfs/dbraw/zinc/95/62/95/354956295.db2.gz UZHPDFITGXONEN-OLZOCXBDSA-N 2 0 268.405 -0.038 20 0 CBADRP [NH3+]C[C@H](C(=O)N1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000578986648 354959002 /nfs/dbraw/zinc/95/90/02/354959002.db2.gz MEWBAZQXTXUKQN-OLZOCXBDSA-N 2 0 263.341 -0.085 20 0 CBADRP [NH3+]C[C@@H](C(=O)N1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000578986647 354959250 /nfs/dbraw/zinc/95/92/50/354959250.db2.gz MEWBAZQXTXUKQN-CHWSQXEVSA-N 2 0 263.341 -0.085 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000573682587 354918285 /nfs/dbraw/zinc/91/82/85/354918285.db2.gz JOXMERQGYDPDCX-LLVKDONJSA-N 2 0 292.387 -0.878 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)[C@H]2C1 ZINC000579105933 354962249 /nfs/dbraw/zinc/96/22/49/354962249.db2.gz KEBFAMPCMXKVPV-AGIUHOORSA-N 2 0 294.399 -0.593 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000579109880 354962323 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C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000579692529 354976576 /nfs/dbraw/zinc/97/65/76/354976576.db2.gz GAGOHXHEUXZHLD-ZYHUDNBSSA-N 2 0 280.372 -0.983 20 0 CBADRP COC[C@@]1(CNC(=O)N(C)C2CC([NH3+])C2)CCC[NH2+]1 ZINC000579816020 354979686 /nfs/dbraw/zinc/97/96/86/354979686.db2.gz QITDWQGQOGDMPW-XIVSLSHWSA-N 2 0 270.377 -0.114 20 0 CBADRP COCCn1cc(CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000579853678 354981695 /nfs/dbraw/zinc/98/16/95/354981695.db2.gz ZCOHIWPCGKGCRQ-STQMWFEESA-N 2 0 293.371 -0.727 20 0 CBADRP Cn1ccnc1CN1CCN(CCOCC[NH3+])CC1 ZINC000579953405 354983792 /nfs/dbraw/zinc/98/37/92/354983792.db2.gz AMALQNKAPGKWMZ-UHFFFAOYSA-N 2 0 267.377 -0.487 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000580053725 354986229 /nfs/dbraw/zinc/98/62/29/354986229.db2.gz JYKYIZMXVKKGLF-PWSUYJOCSA-N 2 0 295.387 -0.966 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000580071847 354987174 /nfs/dbraw/zinc/98/71/74/354987174.db2.gz CABXTJATBCLGFY-SECBINFHSA-N 2 0 281.364 -0.459 20 0 CBADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000580182174 354988824 /nfs/dbraw/zinc/98/88/24/354988824.db2.gz NYMVURXPVWHECR-CYBMUJFWSA-N 2 0 279.388 -0.071 20 0 CBADRP [NH3+]C[C@H]1CN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCCO1 ZINC000580312572 354992556 /nfs/dbraw/zinc/99/25/56/354992556.db2.gz ZQCAEEKZHGYCHF-JYJNAYRXSA-N 2 0 293.411 -0.033 20 0 CBADRP CC(C)([NH3+])CN1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000580326654 354993828 /nfs/dbraw/zinc/99/38/28/354993828.db2.gz WOCWGOOQLASNGB-STQMWFEESA-N 2 0 295.431 -0.056 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000581010363 355003813 /nfs/dbraw/zinc/00/38/13/355003813.db2.gz CNIHMLSSUZNHGB-GARJFASQSA-N 2 0 270.377 -0.717 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000580833861 355000033 /nfs/dbraw/zinc/00/00/33/355000033.db2.gz JFEAOOGMEPDNGX-GRYCIOLGSA-N 2 0 252.362 -0.770 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000580950043 355001744 /nfs/dbraw/zinc/00/17/44/355001744.db2.gz BQWYLYHEVUFNDY-NWDGAFQWSA-N 2 0 254.378 -0.524 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000584350279 355029758 /nfs/dbraw/zinc/02/97/58/355029758.db2.gz ATVDOVWETPEZQZ-QJPTWQEYSA-N 2 0 282.388 -0.512 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000584466948 355030249 /nfs/dbraw/zinc/03/02/49/355030249.db2.gz QWWDEAOMVFRCBJ-NSHDSACASA-N 2 0 253.346 -0.329 20 0 CBADRP CN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[C@H](C[NH3+])C1 ZINC000584519394 355031023 /nfs/dbraw/zinc/03/10/23/355031023.db2.gz HMVKFYNNQVCAMP-WCQYABFASA-N 2 0 281.404 -0.493 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000584588895 355032699 /nfs/dbraw/zinc/03/26/99/355032699.db2.gz JVLXXOIXAWXKCE-LOWVWBTDSA-N 2 0 287.429 -0.083 20 0 CBADRP C[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000584719647 355035552 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20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)NCC[N@@H+]1CCCOCC1 ZINC000582299756 355013075 /nfs/dbraw/zinc/01/30/75/355013075.db2.gz FNYRXPWDEAXOBK-LBPRGKRZSA-N 2 0 287.429 -0.080 20 0 CBADRP C[NH+](C)CC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000582300343 355013285 /nfs/dbraw/zinc/01/32/85/355013285.db2.gz XUADNHQSXMAIMY-LBPRGKRZSA-N 2 0 282.388 -0.782 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000582419670 355016035 /nfs/dbraw/zinc/01/60/35/355016035.db2.gz ZMDRAPQZFOXZEA-CMPLNLGQSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000582410568 355016361 /nfs/dbraw/zinc/01/63/61/355016361.db2.gz ZBTGSDNSVBYFQR-NTZNESFSSA-N 2 0 294.399 -0.547 20 0 CBADRP Cc1noc(CCCN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)n1 ZINC000583883020 355024016 /nfs/dbraw/zinc/02/40/16/355024016.db2.gz CMTHMFVKZIZXSY-QWRGUYRKSA-N 2 0 279.344 -0.446 20 0 CBADRP C[NH2+][C@H](C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1cnn(C)c1 ZINC000583993425 355026053 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COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000592546773 355161111 /nfs/dbraw/zinc/16/11/11/355161111.db2.gz CLABTMSMNUKURL-NWDGAFQWSA-N 2 0 299.371 -0.882 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1ccc(C[NH3+])o1 ZINC000592549640 355161618 /nfs/dbraw/zinc/16/16/18/355161618.db2.gz YZEIICMMTWGMET-SNVBAGLBSA-N 2 0 281.312 -0.285 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000592551563 355161816 /nfs/dbraw/zinc/16/18/16/355161816.db2.gz FVNZXRIQXQAVBG-NWDGAFQWSA-N 2 0 283.372 -0.118 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)COC1CC[NH2+]CC1 ZINC000592553926 355162897 /nfs/dbraw/zinc/16/28/97/355162897.db2.gz YEZPZMCUJYZZHN-LBPRGKRZSA-N 2 0 299.371 -0.882 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000592552414 355162925 /nfs/dbraw/zinc/16/29/25/355162925.db2.gz HJEDCUOBTIGFAD-UWVGGRQHSA-N 2 0 269.345 -0.652 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000592557498 355163402 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COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593911951 355229315 /nfs/dbraw/zinc/22/93/15/355229315.db2.gz KNRMUKUPSUIGGU-MJVIPROJSA-N 2 0 283.372 -0.146 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000594443665 355248749 /nfs/dbraw/zinc/24/87/49/355248749.db2.gz HMGPXPMLPBKPEF-XUJVJEKNSA-N 2 0 295.383 -0.260 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000594186032 355237804 /nfs/dbraw/zinc/23/78/04/355237804.db2.gz IANHWVXDQHAVNQ-NWDGAFQWSA-N 2 0 255.362 -0.225 20 0 CBADRP NC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000593728679 355217368 /nfs/dbraw/zinc/21/73/68/355217368.db2.gz CHUGURCVTJGPRM-HBNTYKKESA-N 2 0 284.360 -0.458 20 0 CBADRP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736263 355217380 /nfs/dbraw/zinc/21/73/80/355217380.db2.gz KTTAACBPRXQHBR-SDDRHHMPSA-N 2 0 298.387 -0.340 20 0 CBADRP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736261 355217697 /nfs/dbraw/zinc/21/76/97/355217697.db2.gz KTTAACBPRXQHBR-QJPTWQEYSA-N 2 0 298.387 -0.340 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419429048 295901709 /nfs/dbraw/zinc/90/17/09/295901709.db2.gz UKVUQCZSIVXCKA-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)C1=O ZINC000595890182 355314550 /nfs/dbraw/zinc/31/45/50/355314550.db2.gz ZGIGBTPSDSFMBQ-TUAOUCFPSA-N 2 0 283.372 -0.181 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCC(=O)OC)C1 ZINC000595944528 355323968 /nfs/dbraw/zinc/32/39/68/355323968.db2.gz MDEGUYFSPSDXFE-WDEREUQCSA-N 2 0 271.361 -0.133 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[NH2+]1 ZINC000595264647 355276361 /nfs/dbraw/zinc/27/63/61/355276361.db2.gz DSNNNZZMXZPLMC-DDHJBXDOSA-N 2 0 295.387 -0.920 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CCCC[NH2+]3)CCN2C1=O ZINC000595267902 355277152 /nfs/dbraw/zinc/27/71/52/355277152.db2.gz PCUCCILNFKMYLG-SDDRHHMPSA-N 2 0 295.387 -0.918 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000595979118 355334037 /nfs/dbraw/zinc/33/40/37/355334037.db2.gz RBJXSPMHPJMPER-VWYCJHECSA-N 2 0 271.361 -0.147 20 0 CBADRP COC(=O)CCN1CCC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000595293228 355279533 /nfs/dbraw/zinc/27/95/33/355279533.db2.gz HWQZTJNMMSMMDP-XQQFMLRXSA-N 2 0 295.383 -0.308 20 0 CBADRP COC(=O)[C@H]1C[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000596068493 355340867 /nfs/dbraw/zinc/34/08/67/355340867.db2.gz XMQUISQUOIZHBC-AVGNSLFASA-N 2 0 285.388 -0.864 20 0 CBADRP COC(=O)[C@H]1C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000596068496 355340875 /nfs/dbraw/zinc/34/08/75/355340875.db2.gz XMQUISQUOIZHBC-JHJVBQTASA-N 2 0 285.388 -0.864 20 0 CBADRP CS[C@@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@@H]1[NH+](C)C ZINC000599060343 355461771 /nfs/dbraw/zinc/46/17/71/355461771.db2.gz QRQROCJBCZZVPH-NKWVEPMBSA-N 2 0 269.378 -0.821 20 0 CBADRP COC(=O)CCNC(=O)CC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000600710010 355562410 /nfs/dbraw/zinc/56/24/10/355562410.db2.gz MQESUIKTYRJJTE-UWVGGRQHSA-N 2 0 257.334 -0.475 20 0 CBADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2COCCN2)CC[NH2+]CC1 ZINC000600708430 355561802 /nfs/dbraw/zinc/56/18/02/355561802.db2.gz CTTSBEVWVOVCDL-QWHCGFSZSA-N 2 0 299.415 -0.114 20 0 CBADRP COC(=O)CCNC(=O)CC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000600710009 355562431 /nfs/dbraw/zinc/56/24/31/355562431.db2.gz MQESUIKTYRJJTE-NXEZZACHSA-N 2 0 257.334 -0.475 20 0 CBADRP COC(=O)CCNC(=O)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000600711582 355562189 /nfs/dbraw/zinc/56/21/89/355562189.db2.gz SHMVUVLNZHPODJ-QWRGUYRKSA-N 2 0 271.361 -0.085 20 0 CBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000599941396 355520222 /nfs/dbraw/zinc/52/02/22/355520222.db2.gz ZLJRZGFVRMQBCF-ZIAGYGMSSA-N 2 0 295.431 -0.230 20 0 CBADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000601325537 355585707 /nfs/dbraw/zinc/58/57/07/355585707.db2.gz KVCVBQRDIIJTDV-USZNOCQGSA-N 2 0 253.346 -0.345 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602432860 355650286 /nfs/dbraw/zinc/65/02/86/355650286.db2.gz JLQRZYRPIYMIMU-IBGZPJMESA-N 2 0 289.445 -0.070 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC000602492331 355653850 /nfs/dbraw/zinc/65/38/50/355653850.db2.gz PMYPRCRRSJYHER-NSHDSACASA-N 2 0 283.372 -0.308 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000602493729 355654181 /nfs/dbraw/zinc/65/41/81/355654181.db2.gz PTKMOQOXYHFBTG-ZJUUUORDSA-N 2 0 257.334 -0.652 20 0 CBADRP C[N@H+](CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)CC(C)(C)C ZINC000602523807 355657243 /nfs/dbraw/zinc/65/72/43/355657243.db2.gz IGEGCZURTXTLRE-VXGBXAGGSA-N 2 0 296.415 -0.265 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000602551408 355660837 /nfs/dbraw/zinc/66/08/37/355660837.db2.gz CXNVLFAELANBAS-GUBZILKMSA-N 2 0 257.334 -0.476 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000602582868 355662603 /nfs/dbraw/zinc/66/26/03/355662603.db2.gz YIUQOVDZENVNLR-GHMZBOCLSA-N 2 0 271.361 -0.003 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000602592035 355663623 /nfs/dbraw/zinc/66/36/23/355663623.db2.gz GRLSWLNCEARZPA-RYUDHWBXSA-N 2 0 283.372 -0.181 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000601977744 355623983 /nfs/dbraw/zinc/62/39/83/355623983.db2.gz WDSWWOKWCQKEJU-HONMWMINSA-N 2 0 283.372 -0.275 20 0 CBADRP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000602018922 355625680 /nfs/dbraw/zinc/62/56/80/355625680.db2.gz CHQIABIEFGWYGG-NAKRPEOUSA-N 2 0 271.361 -0.088 20 0 CBADRP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000602018924 355626000 /nfs/dbraw/zinc/62/60/00/355626000.db2.gz CHQIABIEFGWYGG-XWLWVQCSSA-N 2 0 271.361 -0.088 20 0 CBADRP C[NH+]1CCC2(CC[N@H+](CCC(=O)NC(N)=O)C2)CC1 ZINC000602876178 355679670 /nfs/dbraw/zinc/67/96/70/355679670.db2.gz FSNWFOUNWUSUCC-UHFFFAOYSA-N 2 0 268.361 -0.011 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@@H](C)O)CC1 ZINC000607754913 355748413 /nfs/dbraw/zinc/74/84/13/355748413.db2.gz FFOYYBJCZBMLNG-LLVKDONJSA-N 2 0 257.378 -0.101 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@H]2CN3CCN2CC3)CC1 ZINC000612747666 355849790 /nfs/dbraw/zinc/84/97/90/355849790.db2.gz NSLTWISMJMNENK-NSHDSACASA-N 2 0 252.362 -0.803 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[N@@H+]1C1CC1 ZINC000365103058 291077759 /nfs/dbraw/zinc/07/77/59/291077759.db2.gz AKAPOVFZMYPARN-LUTQBAROSA-N 2 0 253.346 -0.549 20 0 CBADRP C[C@@]1(NC(=O)NCC[N@@H+]2CCCOCC2)CC[NH2+]C1 ZINC000612909477 355856916 /nfs/dbraw/zinc/85/69/16/355856916.db2.gz OLODTZSMVZQDCB-CYBMUJFWSA-N 2 0 270.377 -0.240 20 0 CBADRP C[NH+]1CCC(O)(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612973503 355858405 /nfs/dbraw/zinc/85/84/05/355858405.db2.gz HHPPDKAMRCJEOB-LBPRGKRZSA-N 2 0 296.415 -0.116 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612972002 355858659 /nfs/dbraw/zinc/85/86/59/355858659.db2.gz RFRAAMXDXJUWQI-CHWSQXEVSA-N 2 0 295.431 -0.327 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612993571 355860034 /nfs/dbraw/zinc/86/00/34/355860034.db2.gz OUNTUYVMCDSQLP-MNOVXSKESA-N 2 0 268.361 -0.584 20 0 CBADRP C[C@@H](NC(=O)[C@H](C)[NH+](C)C)[C@H](C)NC(=O)[C@H](C)[NH+](C)C ZINC000613957088 355924373 /nfs/dbraw/zinc/92/43/73/355924373.db2.gz QPWMIRMHPXCPKI-USZNOCQGSA-N 2 0 286.420 -0.104 20 0 CBADRP C[NH+](C)C[C@@H](CO)NC(=O)CC1CC[NH+](C)CC1 ZINC000614851029 355991239 /nfs/dbraw/zinc/99/12/39/355991239.db2.gz DWNFSPPPHRLBFD-LBPRGKRZSA-N 2 0 257.378 -0.243 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)C[NH+](C)C ZINC000614854793 355991993 /nfs/dbraw/zinc/99/19/93/355991993.db2.gz SJYICNHTJBHCSB-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CO)C[NH+](C)C ZINC000614854792 355992640 /nfs/dbraw/zinc/99/26/40/355992640.db2.gz SJYICNHTJBHCSB-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000614505406 355964374 /nfs/dbraw/zinc/96/43/74/355964374.db2.gz NNGXZUPNCPARJG-CHWSQXEVSA-N 2 0 266.389 -0.556 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000614506104 355965902 /nfs/dbraw/zinc/96/59/02/355965902.db2.gz VWOOLXIMVJWNIL-ZIAGYGMSSA-N 2 0 280.416 -0.166 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC(C[NH+](C)C)C2)CC1 ZINC000615508935 356037380 /nfs/dbraw/zinc/03/73/80/356037380.db2.gz ILCIGTOOKHAGLL-UHFFFAOYSA-N 2 0 268.405 -0.356 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[NH+](C)C ZINC000617752080 356154911 /nfs/dbraw/zinc/15/49/11/356154911.db2.gz JBCVQJAFNYEPTB-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)[C@H]2C1 ZINC000419901905 283144897 /nfs/dbraw/zinc/14/48/97/283144897.db2.gz BHSRVGKAWONGHD-XQQFMLRXSA-N 2 0 294.399 -0.593 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C1CC[NH+](C)CC1 ZINC000618305830 356185586 /nfs/dbraw/zinc/18/55/86/356185586.db2.gz IWVORSLHMKRXMY-UHFFFAOYSA-N 2 0 298.431 -0.193 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621700557 356281896 /nfs/dbraw/zinc/28/18/96/356281896.db2.gz QZKWNIYIYRZUPK-BLFANLJRSA-N 2 0 253.346 -0.310 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621680894 356280045 /nfs/dbraw/zinc/28/00/45/356280045.db2.gz JZSTXZQDSNGDFF-NTZNESFSSA-N 2 0 254.378 -0.395 20 0 CBADRP C[C@@H](C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[NH+](C)C ZINC000620482489 356244365 /nfs/dbraw/zinc/24/43/65/356244365.db2.gz PGQSSNRMDSLEIF-WCQYABFASA-N 2 0 269.389 -0.006 20 0 CBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C[C@H]1C[NH2+]CCO1)C2 ZINC000621684369 356280602 /nfs/dbraw/zinc/28/06/02/356280602.db2.gz LIMUDQPKBSKUIO-MDZLAQPJSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+][C@]12CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)C2 ZINC000621784307 356284475 /nfs/dbraw/zinc/28/44/75/356284475.db2.gz MTNPEGMWXYHPTC-JSGCOSHPSA-N 2 0 266.389 -0.379 20 0 CBADRP C[NH+](C)C1CC(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000622009349 356298711 /nfs/dbraw/zinc/29/87/11/356298711.db2.gz SZAQAGAPCDXMPX-WXRRBKDZSA-N 2 0 266.389 -0.415 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH+]1CCC(O)CC1 ZINC000622659179 356334828 /nfs/dbraw/zinc/33/48/28/356334828.db2.gz YJNCZQMDJQMBHE-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP CC(C)[NH+](CCNc1nc(N)[nH+]c(N)n1)C(C)C ZINC000623793925 356375574 /nfs/dbraw/zinc/37/55/74/356375574.db2.gz ZCMONJGAVNFMQP-UHFFFAOYSA-N 2 0 253.354 -0.351 20 0 CBADRP C[NH+](C)[C@@H](CNc1nc(N)[nH+]c(N)n1)c1ccccc1 ZINC000623793822 356375587 /nfs/dbraw/zinc/37/55/87/356375587.db2.gz VLMLVJWUQDQPJC-JTQLQIEISA-N 2 0 273.344 -0.167 20 0 CBADRP C[NH+](C)C1(CNc2nc(N)[nH+]c(N)n2)CCCCC1 ZINC000623796949 356376399 /nfs/dbraw/zinc/37/63/99/356376399.db2.gz UPMZGDIKAVVKKD-UHFFFAOYSA-N 2 0 265.365 -0.205 20 0 CBADRP CC1CC[NH+](CCCNc2nc(N)[nH+]c(N)n2)CC1 ZINC000623812626 356377104 /nfs/dbraw/zinc/37/71/04/356377104.db2.gz CJPPTDMNMTYZEQ-UHFFFAOYSA-N 2 0 265.365 -0.347 20 0 CBADRP C[C@H](CNc1nc(N)[nH+]c(N)n1)C[NH+]1CCCCC1 ZINC000623877750 356380017 /nfs/dbraw/zinc/38/00/17/356380017.db2.gz LHHLJULBIFGHJQ-SECBINFHSA-N 2 0 265.365 -0.347 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1nc(N)[nH+]c(N)n1 ZINC000623885572 356381468 /nfs/dbraw/zinc/38/14/68/356381468.db2.gz BFXXFPWVOXRBQU-IUCAKERBSA-N 2 0 265.365 -0.349 20 0 CBADRP C[C@H]1CCC[C@H](C)[NH+]1CCNc1nc(N)[nH+]c(N)n1 ZINC000623954367 356384119 /nfs/dbraw/zinc/38/41/19/356384119.db2.gz LGBLHRDKTKPDQM-IUCAKERBSA-N 2 0 265.365 -0.207 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)c1nc(N)[nH+]c(N)n1 ZINC000623974423 356385073 /nfs/dbraw/zinc/38/50/73/356385073.db2.gz DYZDJYBXGASOJX-MRVPVSSYSA-N 2 0 251.338 -0.525 20 0 CBADRP C[NH+](C)CCOC1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623965790 356385180 /nfs/dbraw/zinc/38/51/80/356385180.db2.gz VJGWNDQCYHIINT-UHFFFAOYSA-N 2 0 281.364 -0.756 20 0 CBADRP Nc1nc(NC[C@H]2CCCC[N@@H+]2C2CC2)nc(N)[nH+]1 ZINC000624160145 356400379 /nfs/dbraw/zinc/40/03/79/356400379.db2.gz DDEUKZDQIYSGGV-SECBINFHSA-N 2 0 263.349 -0.453 20 0 CBADRP C[NH+](C)C1(CNc2nc(N)[nH+]c(N)n2)Cc2ccccc2C1 ZINC000623993526 356386947 /nfs/dbraw/zinc/38/69/47/356386947.db2.gz UUIQPGRGPFCFRQ-UHFFFAOYSA-N 2 0 299.382 -0.370 20 0 CBADRP C[C@H](Nc1nc(N)[nH+]c(N)n1)C(C)(C)C[NH+](C)C ZINC000623994241 356387155 /nfs/dbraw/zinc/38/71/55/356387155.db2.gz SZJGEXDIMILSAQ-ZETCQYMHSA-N 2 0 253.354 -0.493 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1nc(N)[nH+]c(N)n1 ZINC000624024284 356390807 /nfs/dbraw/zinc/39/08/07/356390807.db2.gz CENMGEMHCIFOAI-HTQZYQBOSA-N 2 0 251.338 -0.527 20 0 CBADRP C[N@@H+]1CC[C@H](Nc2nc(N)[nH+]c(N)n2)[C@H]1c1ccccc1 ZINC000624068516 356395862 /nfs/dbraw/zinc/39/58/62/356395862.db2.gz YFNVIPVUUAHFAC-WDEREUQCSA-N 2 0 285.355 -0.024 20 0 CBADRP Nc1nc(NC[C@H]2CCC[N@H+](CC3CC3)C2)nc(N)[nH+]1 ZINC000624411319 356421003 /nfs/dbraw/zinc/42/10/03/356421003.db2.gz DTWOFSHDIRNGTR-SNVBAGLBSA-N 2 0 277.376 -0.347 20 0 CBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000624168633 356401447 /nfs/dbraw/zinc/40/14/47/356401447.db2.gz CFHHZHOSMAIQSZ-QMMMGPOBSA-N 2 0 265.365 -0.349 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@@H]([NH2+]CC2(O)CCCCC2)C1=O ZINC000573978474 334982391 /nfs/dbraw/zinc/98/23/91/334982391.db2.gz AOBGMWSFZFQZJQ-GFCCVEGCSA-N 2 0 297.399 -0.040 20 0 CBADRP C[N@@H+]1CCC[C@@]2(CCN(c3nc(N)[nH+]c(N)n3)C2)C1 ZINC000624245435 356405774 /nfs/dbraw/zinc/40/57/74/356405774.db2.gz DFOCBZXKKNZBNT-GFCCVEGCSA-N 2 0 263.349 -0.381 20 0 CBADRP CC1(C)CCC[N@@H+]1CCNc1nc(N)[nH+]c(N)n1 ZINC000624266156 356408741 /nfs/dbraw/zinc/40/87/41/356408741.db2.gz HCHKJYWLRLWIEN-UHFFFAOYSA-N 2 0 251.338 -0.595 20 0 CBADRP CC[N@@H+]1CCCN(c2nc(N)[nH+]c(N)n2)[C@H](C)C1 ZINC000624273827 356409562 /nfs/dbraw/zinc/40/95/62/356409562.db2.gz KEBLZMCXGSADHW-MRVPVSSYSA-N 2 0 251.338 -0.383 20 0 CBADRP CN(CCOCC[NH3+])C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000625865398 356494407 /nfs/dbraw/zinc/49/44/07/356494407.db2.gz DWJGETQZYBOXKW-UHFFFAOYSA-N 2 0 298.391 -0.116 20 0 CBADRP [NH3+]CC[C@H](NC(=O)NCC[N@@H+]1CC[C@H](O)C1)C(F)(F)F ZINC000625898164 356496411 /nfs/dbraw/zinc/49/64/11/356496411.db2.gz HTCDVECYFINNIK-IUCAKERBSA-N 2 0 298.309 -0.368 20 0 CBADRP [NH3+]C[C@H](NC(=O)NCC[N@@H+]1CC[C@H](O)C1)C(F)(F)F ZINC000625899606 356496541 /nfs/dbraw/zinc/49/65/41/356496541.db2.gz XTOOHRHBFOXAHG-YUMQZZPRSA-N 2 0 284.282 -0.758 20 0 CBADRP [NH3+]C[C@H](NC(=O)NCC[N@@H+]1CC[C@@H](O)C1)C(F)(F)F ZINC000625899605 356496551 /nfs/dbraw/zinc/49/65/51/356496551.db2.gz XTOOHRHBFOXAHG-SFYZADRCSA-N 2 0 284.282 -0.758 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)NCCOCCC[NH3+])C1 ZINC000626946333 356558505 /nfs/dbraw/zinc/55/85/05/356558505.db2.gz XDVRQEAABZBGAL-LLVKDONJSA-N 2 0 258.366 -0.255 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)NCCOCCC[NH3+] ZINC000626954570 356560056 /nfs/dbraw/zinc/56/00/56/356560056.db2.gz GCLWXPYMAASRLW-NSHDSACASA-N 2 0 260.382 -0.009 20 0 CBADRP C[C@H](NC(=O)NCCOCCC[NH3+])[C@H]1CN(C)CCO1 ZINC000627004082 356565582 /nfs/dbraw/zinc/56/55/82/356565582.db2.gz ZNUSOCFIZSVNNJ-NWDGAFQWSA-N 2 0 288.392 -0.630 20 0 CBADRP CCN(CC[NH3+])C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000627003102 356565717 /nfs/dbraw/zinc/56/57/17/356565717.db2.gz GYTKKJNDCSMIOP-QWRGUYRKSA-N 2 0 258.366 -0.304 20 0 CBADRP C[C@@H](NC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCC[NH2+]C1 ZINC000627070012 356573440 /nfs/dbraw/zinc/57/34/40/356573440.db2.gz URYLMNZAZLQEDD-JHJVBQTASA-N 2 0 284.404 -0.260 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000627072622 356573230 /nfs/dbraw/zinc/57/32/30/356573230.db2.gz CWSIXFNVECKKHC-LBPRGKRZSA-N 2 0 272.393 -0.137 20 0 CBADRP [NH3+]CC1(NC(=O)NCCC[NH2+]C2CC2)CCOCC1 ZINC000627064399 356571525 /nfs/dbraw/zinc/57/15/25/356571525.db2.gz QSCJTLSEYKBEQN-UHFFFAOYSA-N 2 0 270.377 -0.064 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NCCC[NH2+]C1CC1 ZINC000627065125 356571599 /nfs/dbraw/zinc/57/15/99/356571599.db2.gz ZMSUTYKWBPPJLH-UHFFFAOYSA-N 2 0 258.366 -0.255 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)NCCCN2CC[NH2+]CC2)C[NH2+]1 ZINC000627064064 356571624 /nfs/dbraw/zinc/57/16/24/356571624.db2.gz QAFJSPOHQOSIDV-STQMWFEESA-N 2 0 283.420 -0.279 20 0 CBADRP [NH3+]CCCOCCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000627065844 356571796 /nfs/dbraw/zinc/57/17/96/356571796.db2.gz LZIDZFQSJQEWGH-LLVKDONJSA-N 2 0 258.366 -0.207 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)NCCN2CC[NH2+]CC2)C[NH2+]1 ZINC000627066288 356572335 /nfs/dbraw/zinc/57/23/35/356572335.db2.gz REXYMNHFKKEGQX-NEPJUHHUSA-N 2 0 269.393 -0.669 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000627069692 356572459 /nfs/dbraw/zinc/57/24/59/356572459.db2.gz QXVBTQNMVLFXPZ-NWDGAFQWSA-N 2 0 272.393 -0.090 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000627127364 356587900 /nfs/dbraw/zinc/58/79/00/356587900.db2.gz YGJFNMCHCTUKOL-NEPJUHHUSA-N 2 0 282.388 -0.363 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627130123 356588152 /nfs/dbraw/zinc/58/81/52/356588152.db2.gz JPPYCSLREKCGSQ-GFCCVEGCSA-N 2 0 284.404 -0.116 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCC1([NH3+])CCOCC1 ZINC000627147329 356588790 /nfs/dbraw/zinc/58/87/90/356588790.db2.gz GTNWTAJFHLNPRA-NSHDSACASA-N 2 0 270.377 -0.112 20 0 CBADRP C[C@@H]1CN(C(=O)NCC2([NH3+])CCOCC2)CC[NH2+]1 ZINC000627148058 356588904 /nfs/dbraw/zinc/58/89/04/356588904.db2.gz QTMYBNANGCEIIW-SNVBAGLBSA-N 2 0 256.350 -0.502 20 0 CBADRP [NH3+]C1(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCOCC1 ZINC000627148600 356588942 /nfs/dbraw/zinc/58/89/42/356588942.db2.gz YQAPYEPSBDPXRF-NEPJUHHUSA-N 2 0 282.388 -0.112 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000627158064 356591168 /nfs/dbraw/zinc/59/11/68/356591168.db2.gz HYXPTKRZEQXVRQ-SDDRHHMPSA-N 2 0 270.377 -0.114 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000627170934 356592128 /nfs/dbraw/zinc/59/21/28/356592128.db2.gz LOQYVQBVCHKEJK-MNOVXSKESA-N 2 0 258.366 -0.399 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000627170630 356592162 /nfs/dbraw/zinc/59/21/62/356592162.db2.gz DUMYYWHVDOBULE-NEPJUHHUSA-N 2 0 270.377 -0.242 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000627170935 356592455 /nfs/dbraw/zinc/59/24/55/356592455.db2.gz LOQYVQBVCHKEJK-QWRGUYRKSA-N 2 0 258.366 -0.399 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000627171019 356592564 /nfs/dbraw/zinc/59/25/64/356592564.db2.gz OJNBZQJMJCXJJD-UHFFFAOYSA-N 2 0 272.393 -0.007 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000627170995 356592615 /nfs/dbraw/zinc/59/26/15/356592615.db2.gz NLYMITMLLDLETL-MNOVXSKESA-N 2 0 258.366 -0.399 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000627171037 356592626 /nfs/dbraw/zinc/59/26/26/356592626.db2.gz OUYBTZSUDFMZGV-UHFFFAOYSA-N 2 0 256.350 -0.645 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000627171928 356592861 /nfs/dbraw/zinc/59/28/61/356592861.db2.gz MOEMXOIPHBAJJF-MNOVXSKESA-N 2 0 258.366 -0.399 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000627171810 356593139 /nfs/dbraw/zinc/59/31/39/356593139.db2.gz IQEGDXQDDRDUIJ-CQSZACIVSA-N 2 0 284.404 -0.040 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000627171555 356593189 /nfs/dbraw/zinc/59/31/89/356593189.db2.gz YQYDNEBSGVXYTM-NWDGAFQWSA-N 2 0 270.377 -0.384 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000627171930 356593227 /nfs/dbraw/zinc/59/32/27/356593227.db2.gz MOEMXOIPHBAJJF-WDEREUQCSA-N 2 0 258.366 -0.399 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000627172140 356593318 /nfs/dbraw/zinc/59/33/18/356593318.db2.gz TUPZYVPQPYFPJK-NWDGAFQWSA-N 2 0 272.393 -0.009 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000627171178 356593352 /nfs/dbraw/zinc/59/33/52/356593352.db2.gz QJNGZCYZSQTZLU-LLVKDONJSA-N 2 0 258.366 -0.384 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000627171084 356593442 /nfs/dbraw/zinc/59/34/42/356593442.db2.gz QAUWTKSKUHYXIQ-RYUDHWBXSA-N 2 0 270.377 -0.384 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)NCCOCC[NH2+]C)CC1 ZINC000627173534 356593817 /nfs/dbraw/zinc/59/38/17/356593817.db2.gz AGYSAAPMLJRPNB-UHFFFAOYSA-N 2 0 272.393 -0.040 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NCC[NH2+]C1CC1 ZINC000627070125 356573812 /nfs/dbraw/zinc/57/38/12/356573812.db2.gz WBFANYHDMONMPP-UHFFFAOYSA-N 2 0 258.366 -0.384 20 0 CBADRP O=C(NCC[C@H]1CC[NH2+]C1)NC[C@@H]1COCC[NH2+]1 ZINC000627072767 356573911 /nfs/dbraw/zinc/57/39/11/356573911.db2.gz GQLDEQRVQBQTFK-GHMZBOCLSA-N 2 0 256.350 -0.726 20 0 CBADRP [NH3+]C1CCC(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000627077081 356575313 /nfs/dbraw/zinc/57/53/13/356575313.db2.gz RUKGKDYGCWDGMJ-HTAVTVPLSA-N 2 0 270.377 -0.378 20 0 CBADRP [NH3+]C[C@@H](NC(=O)NCC1([NH3+])CCOCC1)C1CC1 ZINC000627077289 356575701 /nfs/dbraw/zinc/57/57/01/356575701.db2.gz ZYSHFZHAHDNHPV-SNVBAGLBSA-N 2 0 256.350 -0.469 20 0 CBADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627079907 356576120 /nfs/dbraw/zinc/57/61/20/356576120.db2.gz XXWMQRMDIMYZPC-JHJVBQTASA-N 2 0 284.404 -0.130 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627083326 356578457 /nfs/dbraw/zinc/57/84/57/356578457.db2.gz QFWIXCRPZQVOHV-LLVKDONJSA-N 2 0 270.377 -0.194 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000627084831 356578662 /nfs/dbraw/zinc/57/86/62/356578662.db2.gz FQZJVNSQDNJMPM-ZDUSSCGKSA-N 2 0 272.393 -0.007 20 0 CBADRP C[C@@]1(CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)CCC[NH2+]C1 ZINC000627085501 356578826 /nfs/dbraw/zinc/57/88/26/356578826.db2.gz OFRQPXKLVOSCRB-GXTWGEPZSA-N 2 0 284.404 -0.258 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000627085974 356578910 /nfs/dbraw/zinc/57/89/10/356578910.db2.gz BESDBPBXIHUWOX-NSHDSACASA-N 2 0 258.366 -0.255 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCOCCC[NH3+] ZINC000627085959 356579029 /nfs/dbraw/zinc/57/90/29/356579029.db2.gz ANEBIPPBTHKLBY-QWRGUYRKSA-N 2 0 258.366 -0.351 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627086157 356579202 /nfs/dbraw/zinc/57/92/02/356579202.db2.gz IXTMLCSLJPGBHR-WOPDTQHZSA-N 2 0 270.377 -0.650 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CCOCC[NH3+] ZINC000627086168 356579217 /nfs/dbraw/zinc/57/92/17/356579217.db2.gz JOZQPARPXKDIEK-MNOVXSKESA-N 2 0 258.366 -0.399 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC1([NH3+])CCOCC1 ZINC000627086871 356579653 /nfs/dbraw/zinc/57/96/53/356579653.db2.gz BWXPRKJUVVJCIA-WDEREUQCSA-N 2 0 270.377 -0.209 20 0 CBADRP O=C(NCCC1=CC[NH2+]CC1)NC[C@@H]1COCC[NH2+]1 ZINC000627088770 356580551 /nfs/dbraw/zinc/58/05/51/356580551.db2.gz DWFWWOOXCYHETG-GFCCVEGCSA-N 2 0 268.361 -0.416 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCOCCC[NH3+] ZINC000627088347 356580862 /nfs/dbraw/zinc/58/08/62/356580862.db2.gz PZMGIRXTXAABQP-MNOVXSKESA-N 2 0 258.366 -0.351 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000627088581 356580867 /nfs/dbraw/zinc/58/08/67/356580867.db2.gz RGODVNOVFNQXSN-WDEREUQCSA-N 2 0 258.366 -0.127 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NCCC1=CC[NH2+]CC1 ZINC000627090257 356581627 /nfs/dbraw/zinc/58/16/27/356581627.db2.gz QIQNSPVZUJIOEK-UHFFFAOYSA-N 2 0 270.377 -0.087 20 0 CBADRP COCC1(CNC(=O)N[C@@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC000627091700 356581786 /nfs/dbraw/zinc/58/17/86/356581786.db2.gz XBLZALLIQZPPHB-LLVKDONJSA-N 2 0 270.377 -0.336 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000627095260 356582352 /nfs/dbraw/zinc/58/23/52/356582352.db2.gz YSZJAKAYKDMXDH-URLYPYJESA-N 2 0 256.350 -0.918 20 0 CBADRP O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@@H]1COCC[NH2+]1 ZINC000627101026 356583054 /nfs/dbraw/zinc/58/30/54/356583054.db2.gz PREUAOVIOFOHOZ-NWDGAFQWSA-N 2 0 270.377 -0.194 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000627102662 356583204 /nfs/dbraw/zinc/58/32/04/356583204.db2.gz QKXCZDUUJSVUIS-MNOVXSKESA-N 2 0 256.350 -0.632 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000627103447 356583666 /nfs/dbraw/zinc/58/36/66/356583666.db2.gz SDFGPGQJYUCBEL-NEPJUHHUSA-N 2 0 270.377 -0.242 20 0 CBADRP [NH3+]CCCOCCNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000627102193 356583699 /nfs/dbraw/zinc/58/36/99/356583699.db2.gz IXXSBBGZSAPLKF-WDEREUQCSA-N 2 0 258.366 -0.222 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627104907 356584134 /nfs/dbraw/zinc/58/41/34/356584134.db2.gz PVDZKIGAWHAZGF-MXWKQRLJSA-N 2 0 258.366 -0.522 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000627107354 356584376 /nfs/dbraw/zinc/58/43/76/356584376.db2.gz XRAAFQPRLAOADS-RQJABVFESA-N 2 0 296.415 -0.260 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000627105358 356584796 /nfs/dbraw/zinc/58/47/96/356584796.db2.gz GKSJSMNRGPLZOB-JHJVBQTASA-N 2 0 284.404 -0.009 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000627175071 356594552 /nfs/dbraw/zinc/59/45/52/356594552.db2.gz VCNMSHURMYBUJR-GFCCVEGCSA-N 2 0 272.393 -0.185 20 0 CBADRP O=C(NCCC1CC[NH2+]CC1)NC[C@@H]1COCC[NH2+]1 ZINC000627110710 356585445 /nfs/dbraw/zinc/58/54/45/356585445.db2.gz KAXZPSJNZYWTGD-GFCCVEGCSA-N 2 0 270.377 -0.336 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC000627110506 356585532 /nfs/dbraw/zinc/58/55/32/356585532.db2.gz BKQMBDQYNNQLOS-UHFFFAOYSA-N 2 0 272.393 -0.007 20 0 CBADRP O=C(NCCC1CC[NH2+]CC1)NCC[N@H+]1CC[C@H](O)C1 ZINC000627110917 356585572 /nfs/dbraw/zinc/58/55/72/356585572.db2.gz MOQMTSSHWJPTGP-ZDUSSCGKSA-N 2 0 284.404 -0.258 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000627218873 356607998 /nfs/dbraw/zinc/60/79/98/356607998.db2.gz JVYNEKNPCGOUAG-NWDGAFQWSA-N 2 0 270.377 -0.255 20 0 CBADRP C[C@@H]1CN(C(=O)NCCOCCC[NH3+])CC[C@H]1[NH3+] ZINC000627219470 356608687 /nfs/dbraw/zinc/60/86/87/356608687.db2.gz XKWHRDZGCJXBCO-GHMZBOCLSA-N 2 0 258.366 -0.270 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000627225707 356609951 /nfs/dbraw/zinc/60/99/51/356609951.db2.gz AYULDCRHBKZQEE-WOPDTQHZSA-N 2 0 270.377 -0.162 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000627242468 356610702 /nfs/dbraw/zinc/61/07/02/356610702.db2.gz RINCEOCCKIXXEB-UMNHJUIQSA-N 2 0 256.350 -0.897 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000627246141 356611241 /nfs/dbraw/zinc/61/12/41/356611241.db2.gz WTOTWJRBTIPMQC-HBNTYKKESA-N 2 0 256.350 -0.504 20 0 CBADRP CCO[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)C[C@H]1C[NH3+] ZINC000627245623 356611409 /nfs/dbraw/zinc/61/14/09/356611409.db2.gz QWSVNWUDEIDHFU-IRCOFANPSA-N 2 0 270.377 -0.258 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CCO1 ZINC000627244743 356611491 /nfs/dbraw/zinc/61/14/91/356611491.db2.gz GVOAHODBIZJDHU-YTWAJWBKSA-N 2 0 256.350 -0.506 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000627252350 356613860 /nfs/dbraw/zinc/61/38/60/356613860.db2.gz RDTYEXPTZOJVGM-GRYCIOLGSA-N 2 0 252.362 -0.011 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000627251860 356614249 /nfs/dbraw/zinc/61/42/49/356614249.db2.gz CFJIVACXVIBARF-NEPJUHHUSA-N 2 0 267.377 -0.963 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000627177418 356595621 /nfs/dbraw/zinc/59/56/21/356595621.db2.gz HRIYOSYGQSHECR-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NC[C@@H]1COCC[NH2+]1)C2 ZINC000627190301 356601226 /nfs/dbraw/zinc/60/12/26/356601226.db2.gz FBNFFCVPYTYJCT-SCRDCRAPSA-N 2 0 282.388 -0.255 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCN([C@@H]2CCOC2)CC1 ZINC000627191543 356601989 /nfs/dbraw/zinc/60/19/89/356601989.db2.gz SHOHIBGABWASIA-CHWSQXEVSA-N 2 0 298.387 -0.909 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2COCC[NH2+]2)C[NH2+]1 ZINC000627191834 356603320 /nfs/dbraw/zinc/60/33/20/356603320.db2.gz IJJXVXDYUIBBNU-GMTAPVOTSA-N 2 0 256.350 -0.586 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@@H]1COCC[NH2+]1)C2 ZINC000627192258 356603522 /nfs/dbraw/zinc/60/35/22/356603522.db2.gz RSNFNKKNISUBCE-BNOWGMLFSA-N 2 0 282.388 -0.384 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627204246 356604474 /nfs/dbraw/zinc/60/44/74/356604474.db2.gz CFJNOVKVVVXLFM-VXGBXAGGSA-N 2 0 272.393 -0.260 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)NCCOCCC[NH3+])C[NH2+]1 ZINC000627208043 356605396 /nfs/dbraw/zinc/60/53/96/356605396.db2.gz GCOILYRCNZVULZ-GHMZBOCLSA-N 2 0 258.366 -0.209 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C[NH2+]1 ZINC000627210986 356606076 /nfs/dbraw/zinc/60/60/76/356606076.db2.gz YUORTGATFPCLRQ-QWRGUYRKSA-N 2 0 268.361 -0.489 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000627258204 356616132 /nfs/dbraw/zinc/61/61/32/356616132.db2.gz WOVVWYZDGLJZIQ-STQMWFEESA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C[N@@H+]1C1CC1 ZINC000627349792 356630378 /nfs/dbraw/zinc/63/03/78/356630378.db2.gz ZJHDILZHZVKPIS-LSCVPOLPSA-N 2 0 294.399 -0.406 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000627349490 356630553 /nfs/dbraw/zinc/63/05/53/356630553.db2.gz PLRCRSVTTIZWNH-GHMZBOCLSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627349708 356630852 /nfs/dbraw/zinc/63/08/52/356630852.db2.gz WTONFCMSXDFDTO-FOGDFJRCSA-N 2 0 280.372 -0.937 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(CC)CC[NH3+] ZINC000627365687 356633307 /nfs/dbraw/zinc/63/33/07/356633307.db2.gz WQFXRPDHWODWBP-NSHDSACASA-N 2 0 272.393 -0.360 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000627372084 356634707 /nfs/dbraw/zinc/63/47/07/356634707.db2.gz BTIOMUWWSRAWTE-NXEZZACHSA-N 2 0 268.361 -0.937 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000627378677 356635073 /nfs/dbraw/zinc/63/50/73/356635073.db2.gz QWMOLVANNMJNOU-ZDEQEGDKSA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH+]3CC[C@H](O)C3)C2)C1 ZINC000627266798 356617852 /nfs/dbraw/zinc/61/78/52/356617852.db2.gz FWXXBHFQLYGCCQ-RDBSUJKOSA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+]3CC[C@@H](O)C3)C2)CC[N@@H+]1C ZINC000627270194 356618460 /nfs/dbraw/zinc/61/84/60/356618460.db2.gz DNEXGOQTTSIAGU-XJFOESAGSA-N 2 0 281.400 -0.006 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+]3CC[C@H](O)C3)C2)CC[N@@H+]1C ZINC000627270195 356618733 /nfs/dbraw/zinc/61/87/33/356618733.db2.gz DNEXGOQTTSIAGU-YIYPIFLZSA-N 2 0 281.400 -0.006 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627295002 356621767 /nfs/dbraw/zinc/62/17/67/356621767.db2.gz RCORKTVHBINBHR-SDDRHHMPSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[N@H+](C)C1CC1 ZINC000627372409 356635331 /nfs/dbraw/zinc/63/53/31/356635331.db2.gz LLTGRLYDALVCEY-JBLDHEPKSA-N 2 0 282.388 -0.548 20 0 CBADRP CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627302150 356622596 /nfs/dbraw/zinc/62/25/96/356622596.db2.gz AMXXNLOCIFVNQJ-GFCCVEGCSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000627305250 356623207 /nfs/dbraw/zinc/62/32/07/356623207.db2.gz RYLVCCKWHKDCNM-WRWGMCAJSA-N 2 0 282.388 -0.548 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000627305249 356623230 /nfs/dbraw/zinc/62/32/30/356623230.db2.gz RYLVCCKWHKDCNM-NOOOWODRSA-N 2 0 282.388 -0.548 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)NCC[N@H+](C)C2CC2)C[NH2+]1 ZINC000627319019 356625669 /nfs/dbraw/zinc/62/56/69/356625669.db2.gz HRWAKTDDCKVMIN-WDEREUQCSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627325949 356626419 /nfs/dbraw/zinc/62/64/19/356626419.db2.gz ZHQZNMPVMRWVCJ-UTUOFQBUSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627325950 356626461 /nfs/dbraw/zinc/62/64/61/356626461.db2.gz ZHQZNMPVMRWVCJ-WOPDTQHZSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627325948 356626620 /nfs/dbraw/zinc/62/66/20/356626620.db2.gz ZHQZNMPVMRWVCJ-IJLUTSLNSA-N 2 0 284.404 -0.301 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000627325439 356626744 /nfs/dbraw/zinc/62/67/44/356626744.db2.gz JYDRLANCCGRDFX-KGYLQXTDSA-N 2 0 294.399 -0.404 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(CC)CC[NH3+])C1 ZINC000627428315 356645234 /nfs/dbraw/zinc/64/52/34/356645234.db2.gz BUXBXVNCZOYODQ-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627428414 356645273 /nfs/dbraw/zinc/64/52/73/356645273.db2.gz FBFYQHREDOBGPU-MNOVXSKESA-N 2 0 268.361 -0.935 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000627458471 356649144 /nfs/dbraw/zinc/64/91/44/356649144.db2.gz HFBJZTDAIJUINY-RWMBFGLXSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000627456257 356649266 /nfs/dbraw/zinc/64/92/66/356649266.db2.gz GKCZGVQEEIWTGJ-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627389983 356636955 /nfs/dbraw/zinc/63/69/55/356636955.db2.gz XQDFVCJRMIGOAA-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627394695 356638019 /nfs/dbraw/zinc/63/80/19/356638019.db2.gz NZJUJNQEFRKMIU-GFCCVEGCSA-N 2 0 294.399 -0.545 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000627398740 356639128 /nfs/dbraw/zinc/63/91/28/356639128.db2.gz VRTGAXASWKQSTG-GFCCVEGCSA-N 2 0 284.404 -0.358 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627504230 356660266 /nfs/dbraw/zinc/66/02/66/356660266.db2.gz CYHBSAKMVMQFSM-LLVKDONJSA-N 2 0 268.361 -0.981 20 0 CBADRP CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000627504737 356660282 /nfs/dbraw/zinc/66/02/82/356660282.db2.gz DEDVPFKRDWOZGN-ZYHUDNBSSA-N 2 0 280.372 -0.840 20 0 CBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)[C@@H]2C1 ZINC000627504547 356660311 /nfs/dbraw/zinc/66/03/11/356660311.db2.gz UPHVZUMVDOKGGB-QJPTWQEYSA-N 2 0 280.372 -0.983 20 0 CBADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627505302 356660856 /nfs/dbraw/zinc/66/08/56/356660856.db2.gz HJGYGBRGWQXTCC-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627505372 356660938 /nfs/dbraw/zinc/66/09/38/356660938.db2.gz LEWNPXCXIJOLQY-LLVKDONJSA-N 2 0 270.377 -0.737 20 0 CBADRP Cc1cn2c(n1)CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)CC2 ZINC000627507189 356661607 /nfs/dbraw/zinc/66/16/07/356661607.db2.gz GEGPMWBLZSYEEJ-SNVBAGLBSA-N 2 0 277.328 -0.988 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)C[NH2+]1 ZINC000627478692 356654242 /nfs/dbraw/zinc/65/42/42/356654242.db2.gz QSHUKVFCFPDCJG-GHMZBOCLSA-N 2 0 270.377 -0.737 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627498834 356657446 /nfs/dbraw/zinc/65/74/46/356657446.db2.gz OTHDZAQSZJXXHM-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627502919 356658838 /nfs/dbraw/zinc/65/88/38/356658838.db2.gz SRUCNOSVHUOARW-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627502433 356659051 /nfs/dbraw/zinc/65/90/51/356659051.db2.gz WVFLRAOUCOMAQF-QWHCGFSZSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627502156 356659303 /nfs/dbraw/zinc/65/93/03/356659303.db2.gz MKHXDRLDBWSBRN-SDDRHHMPSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@H](C)C1 ZINC000627503962 356659712 /nfs/dbraw/zinc/65/97/12/356659712.db2.gz MWJJPCOUFHHCEY-RWMBFGLXSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000627503541 356659815 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O=C1CCC(=O)N1CCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629561103 356779567 /nfs/dbraw/zinc/77/95/67/356779567.db2.gz PRUUFFHJTNBSLZ-LBPRGKRZSA-N 2 0 283.372 -0.428 20 0 CBADRP C[NH+]1CCC(CC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000629171526 356751184 /nfs/dbraw/zinc/75/11/84/356751184.db2.gz BNMROGGHFLXIKK-CYBMUJFWSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[N@H+](CC(=O)NCC[NH+]1CC[C@@H](O)C1)C1CC1 ZINC000629173666 356753234 /nfs/dbraw/zinc/75/32/34/356753234.db2.gz PBTFOJGDCUOZHI-GFCCVEGCSA-N 2 0 255.362 -0.347 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)CCn1nc2ccccn2c1=O ZINC000629571269 356780891 /nfs/dbraw/zinc/78/08/91/356780891.db2.gz KBYZYZVPHHRNGQ-UHFFFAOYSA-N 2 0 293.371 -0.336 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+](C)C ZINC000629615185 356788011 /nfs/dbraw/zinc/78/80/11/356788011.db2.gz SGAFKGJNEJHBAV-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP O[C@H](CNCC[N@@H+]1CC[C@H](O)C1)C[NH+]1CCCC1 ZINC000629617567 356788113 /nfs/dbraw/zinc/78/81/13/356788113.db2.gz 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/nfs/dbraw/zinc/96/85/66/356968566.db2.gz UFMUKGZRBOFTLV-TXEJJXNPSA-N 2 0 275.418 -0.239 20 0 CBADRP C[NH+](C)CCOCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000632317683 356972629 /nfs/dbraw/zinc/97/26/29/356972629.db2.gz ZBUARDXAJCKBHZ-UHFFFAOYSA-N 2 0 297.403 -0.247 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632879447 357029781 /nfs/dbraw/zinc/02/97/81/357029781.db2.gz SVLWCSGSOJINPL-JHJVBQTASA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632878305 357029959 /nfs/dbraw/zinc/02/99/59/357029959.db2.gz OUZSTXYOGZYSOF-YPMHNXCESA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)C)C[C@H]1C[NH3+] ZINC000633078600 357040673 /nfs/dbraw/zinc/04/06/73/357040673.db2.gz NBGLWSQWWZXILR-VXGBXAGGSA-N 2 0 284.404 -0.550 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)C[C@H]1C[NH3+] ZINC000633078731 357041026 /nfs/dbraw/zinc/04/10/26/357041026.db2.gz OBWSHVGSDRFPKS-GHMZBOCLSA-N 2 0 270.377 -0.940 20 0 CBADRP O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000633083758 357041514 /nfs/dbraw/zinc/04/15/14/357041514.db2.gz ICMLMLBPUZMRBC-AVGNSLFASA-N 2 0 292.383 -0.744 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633100836 357045623 /nfs/dbraw/zinc/04/56/23/357045623.db2.gz XCTRLBKCPPUVIH-AVGNSLFASA-N 2 0 294.399 -0.641 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633103546 357045872 /nfs/dbraw/zinc/04/58/72/357045872.db2.gz PZCLUACPUKGMOF-XQQFMLRXSA-N 2 0 294.399 -0.500 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH3+] ZINC000633106789 357046873 /nfs/dbraw/zinc/04/68/73/357046873.db2.gz MQNWXXFQUNZDSJ-JHJVBQTASA-N 2 0 296.415 -0.408 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000633115905 357049379 /nfs/dbraw/zinc/04/93/79/357049379.db2.gz NCKUYPGNWNFTKC-NEPJUHHUSA-N 2 0 282.388 -0.511 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000633115262 357049449 /nfs/dbraw/zinc/04/94/49/357049449.db2.gz INGPEIMGHYVUHX-AAEUAGOBSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000633115265 357049742 /nfs/dbraw/zinc/04/97/42/357049742.db2.gz INGPEIMGHYVUHX-YPMHNXCESA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000633116245 357049762 /nfs/dbraw/zinc/04/97/62/357049762.db2.gz QSVZJZCMFGNZCY-MNOVXSKESA-N 2 0 270.377 -0.655 20 0 CBADRP COC1(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC[NH2+]CC1 ZINC000634275974 357114751 /nfs/dbraw/zinc/11/47/51/357114751.db2.gz RMBIGZFGTFVGST-GHMZBOCLSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2CCCC[NH2+]2)CCO1 ZINC000634269800 357112904 /nfs/dbraw/zinc/11/29/04/357112904.db2.gz JKOAGXIPLZLBSQ-TUAOUCFPSA-N 2 0 270.377 -0.114 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1OCC[C@@H]1[NH3+])C2 ZINC000634740997 357131891 /nfs/dbraw/zinc/13/18/91/357131891.db2.gz OTTLBXDSJOCKMJ-JULQROHOSA-N 2 0 253.346 -0.439 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1CCO[C@H]1C[NH3+])C2 ZINC000634741895 357131979 /nfs/dbraw/zinc/13/19/79/357131979.db2.gz SEZYGIZTBUURDQ-AUZPSNTRSA-N 2 0 267.373 -0.192 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C[C@H]1C[NH2+]CCO1)C2 ZINC000634750116 357132255 /nfs/dbraw/zinc/13/22/55/357132255.db2.gz NKPHKYDBDRHIKL-FPMFFAJLSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CCOC1C[NH2+]C1)C2 ZINC000634744339 357132341 /nfs/dbraw/zinc/13/23/41/357132341.db2.gz VELCLBYARSZDPM-OKILXGFUSA-N 2 0 267.373 -0.177 20 0 CBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000634752550 357133165 /nfs/dbraw/zinc/13/31/65/357133165.db2.gz ODBFJSSWZGZXNR-QWRGUYRKSA-N 2 0 255.362 -0.131 20 0 CBADRP O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000634769033 357133983 /nfs/dbraw/zinc/13/39/83/357133983.db2.gz JTUBDKCPDIHMIN-GYSYKLTISA-N 2 0 290.371 -0.316 20 0 CBADRP 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CBADRP C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)[C@@H](C)NC(=O)[C@@H](C)[NH+](C)C ZINC000635866250 357221676 /nfs/dbraw/zinc/22/16/76/357221676.db2.gz QPWMIRMHPXCPKI-DDHJBXDOSA-N 2 0 286.420 -0.104 20 0 CBADRP C[C@H](C(=O)NCCCNC(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000635921690 357234502 /nfs/dbraw/zinc/23/45/02/357234502.db2.gz MQHWAJXLUDRJGN-GHMZBOCLSA-N 2 0 272.393 -0.491 20 0 CBADRP C[C@H](C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)[NH+](C)C ZINC000635928458 357235987 /nfs/dbraw/zinc/23/59/87/357235987.db2.gz GPFUKRFWVZOCBB-WOPDTQHZSA-N 2 0 255.362 -0.396 20 0 CBADRP CC[NH+](CC)CCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000636445437 357285378 /nfs/dbraw/zinc/28/53/78/357285378.db2.gz KGXVDEBJWWERJT-GFCCVEGCSA-N 2 0 272.393 -0.306 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000636820713 357305242 /nfs/dbraw/zinc/30/52/42/357305242.db2.gz ZEIYQGTWTAIWHE-KGLIPLIRSA-N 2 0 296.415 -0.164 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000636291440 357277534 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CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000637850936 357377507 /nfs/dbraw/zinc/37/75/07/357377507.db2.gz MAGAINHOPNAODX-KQXIARHKSA-N 2 0 255.362 -0.003 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH3+])C1 ZINC000637798366 357365024 /nfs/dbraw/zinc/36/50/24/357365024.db2.gz XECIXYMIQJVMQK-ZDUSSCGKSA-N 2 0 287.404 -0.079 20 0 CBADRP COc1ccccc1[C@H]([NH3+])CNC(=O)CN1CC[NH2+]CC1 ZINC000637803746 357366268 /nfs/dbraw/zinc/36/62/68/357366268.db2.gz HXBIXWACQUJCNA-CYBMUJFWSA-N 2 0 292.383 -0.284 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000637800776 357366830 /nfs/dbraw/zinc/36/68/30/357366830.db2.gz DVMQZORLBGLSMN-GFCCVEGCSA-N 2 0 273.377 -0.469 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC2CC[NH2+]CC2)C1 ZINC000637805346 357367540 /nfs/dbraw/zinc/36/75/40/357367540.db2.gz LBDTYUGAHWOTLF-DGCLKSJQSA-N 2 0 255.362 -0.131 20 0 CBADRP CC(C)CC[C@@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000637809800 357367727 /nfs/dbraw/zinc/36/77/27/357367727.db2.gz FUZZGNSNYKQJFT-LLVKDONJSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CN1CC[NH2+]CC1 ZINC000637806400 357367847 /nfs/dbraw/zinc/36/78/47/357367847.db2.gz RVBTTWBCXJVUBM-RYUDHWBXSA-N 2 0 254.378 -0.380 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N(C1CC1)C1CC[NH2+]CC1 ZINC000637807059 357367935 /nfs/dbraw/zinc/36/79/35/357367935.db2.gz QNIJLICDXMGRQC-UHFFFAOYSA-N 2 0 266.389 -0.365 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CN1CC[NH2+]CC1 ZINC000637806394 357367943 /nfs/dbraw/zinc/36/79/43/357367943.db2.gz RVBTTWBCXJVUBM-NEPJUHHUSA-N 2 0 254.378 -0.380 20 0 CBADRP COC[C@]1(C(=O)NCCN2CC[NH2+]CC2)CCCC[NH2+]1 ZINC000637809795 357367953 /nfs/dbraw/zinc/36/79/53/357367953.db2.gz AQMMZGFVMXQWRK-AWEZNQCLSA-N 2 0 284.404 -0.834 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)C12CCC[NH+](CCC1)C2 ZINC000637810829 357368266 /nfs/dbraw/zinc/36/82/66/357368266.db2.gz JFIMPVPOZUPFBF-UHFFFAOYSA-N 2 0 280.416 -0.116 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000638234603 357441183 /nfs/dbraw/zinc/44/11/83/357441183.db2.gz OIHDINUTIILZJC-NTZNESFSSA-N 2 0 253.346 -0.295 20 0 CBADRP C[C@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[NH+](C)C ZINC000638240880 357442244 /nfs/dbraw/zinc/44/22/44/357442244.db2.gz MXSXOIDCDIYGCT-VXGBXAGGSA-N 2 0 254.378 -0.557 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000638239858 357442257 /nfs/dbraw/zinc/44/22/57/357442257.db2.gz DYXGYYXBQKVFLF-KBPBESRZSA-N 2 0 280.416 -0.023 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638071162 357410072 /nfs/dbraw/zinc/41/00/72/357410072.db2.gz GFTROFYLTPWOMF-ZDUSSCGKSA-N 2 0 273.377 -0.551 20 0 CBADRP C[C@@]1(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000638071622 357410419 /nfs/dbraw/zinc/41/04/19/357410419.db2.gz GEDPIDBLKHREGM-RISCZKNCSA-N 2 0 267.373 -0.035 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638072083 357410553 /nfs/dbraw/zinc/41/05/53/357410553.db2.gz PUEUUELDRNRNOP-GRYCIOLGSA-N 2 0 255.362 -0.097 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000638072273 357411286 /nfs/dbraw/zinc/41/12/86/357411286.db2.gz LWIKYDFWUQBYLY-NTZNESFSSA-N 2 0 255.362 -0.179 20 0 CBADRP C[NH+]1CCC(CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638083097 357413754 /nfs/dbraw/zinc/41/37/54/357413754.db2.gz HMRSTIDOUKWEIL-NWDGAFQWSA-N 2 0 255.362 -0.049 20 0 CBADRP C[N@H+](CCNC(=O)[C@]1(C[NH3+])CCCOC1)C1CC1 ZINC000638085320 357413784 /nfs/dbraw/zinc/41/37/84/357413784.db2.gz XSYWGSIYWMOTQS-ZDUSSCGKSA-N 2 0 255.362 -0.048 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638091714 357414227 /nfs/dbraw/zinc/41/42/27/357414227.db2.gz QHGRMWPRKCGMJE-LBPRGKRZSA-N 2 0 259.350 -0.941 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638090925 357414768 /nfs/dbraw/zinc/41/47/68/357414768.db2.gz IWSNMZIWECFPPD-WCQYABFASA-N 2 0 273.377 -0.552 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000638098003 357416053 /nfs/dbraw/zinc/41/60/53/357416053.db2.gz CIZQUTZHKUIURU-ZDUSSCGKSA-N 2 0 284.404 -0.881 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000638103518 357418509 /nfs/dbraw/zinc/41/85/09/357418509.db2.gz PTAYZOSJFQHQGQ-SDDRHHMPSA-N 2 0 255.362 -0.219 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000638116548 357420997 /nfs/dbraw/zinc/42/09/97/357420997.db2.gz ZNQTUZBZCVTXTG-KGLIPLIRSA-N 2 0 297.399 -0.327 20 0 CBADRP C[C@H]1C[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C[N@@H+]1C1CC1 ZINC000638132257 357423316 /nfs/dbraw/zinc/42/33/16/357423316.db2.gz FXJJJCRNRYZQBD-FSZOTQKASA-N 2 0 253.346 -0.156 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638127372 357423375 /nfs/dbraw/zinc/42/33/75/357423375.db2.gz VKHUPAOFVLHBCK-WCQYABFASA-N 2 0 255.362 -0.177 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCCN2CC[NH+](C)CC2)C1 ZINC000638137259 357423895 /nfs/dbraw/zinc/42/38/95/357423895.db2.gz SKYPZQKZDWDHPJ-ZFWWWQNUSA-N 2 0 298.431 -0.493 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638134735 357424474 /nfs/dbraw/zinc/42/44/74/357424474.db2.gz OIFVKIGMXNDBEA-PDEGPIFNSA-N 2 0 253.346 -0.299 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000638136812 357424486 /nfs/dbraw/zinc/42/44/86/357424486.db2.gz MXSMDMNMMGRYKY-OLZOCXBDSA-N 2 0 276.340 -0.154 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000638141708 357424769 /nfs/dbraw/zinc/42/47/69/357424769.db2.gz VIALLQNBSZNKQX-KCQAQPDRSA-N 2 0 298.431 -0.495 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000638141710 357425553 /nfs/dbraw/zinc/42/55/53/357425553.db2.gz VIALLQNBSZNKQX-YDHLFZDLSA-N 2 0 298.431 -0.495 20 0 CBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638145842 357426032 /nfs/dbraw/zinc/42/60/32/357426032.db2.gz OGWNSUNLXPSQOJ-MDZLAQPJSA-N 2 0 255.362 -0.062 20 0 CBADRP CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000638148059 357426060 /nfs/dbraw/zinc/42/60/60/357426060.db2.gz VGCXJEPIPPUBRT-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)C1 ZINC000638149943 357426079 /nfs/dbraw/zinc/42/60/79/357426079.db2.gz ULFZJBVZKUUEJV-NOHGZBONSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638142416 357426489 /nfs/dbraw/zinc/42/64/89/357426489.db2.gz ZSIXDJSJENZVQW-YPMHNXCESA-N 2 0 266.389 -0.214 20 0 CBADRP CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000638148062 357426500 /nfs/dbraw/zinc/42/65/00/357426500.db2.gz VGCXJEPIPPUBRT-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)C1 ZINC000638153133 357427307 /nfs/dbraw/zinc/42/73/07/357427307.db2.gz CIMCEBUBHGHUGA-ZPFDUUQYSA-N 2 0 255.362 -0.051 20 0 CBADRP [NH3+][C@H](CNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000638154821 357427452 /nfs/dbraw/zinc/42/74/52/357427452.db2.gz RHSWJNNTIWQZTI-UTUOFQBUSA-N 2 0 253.346 -0.297 20 0 CBADRP C[NH2+]CCC1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000638153847 357427559 /nfs/dbraw/zinc/42/75/59/357427559.db2.gz YOIJKMRZSNRYEA-UHFFFAOYSA-N 2 0 268.405 -0.260 20 0 CBADRP CC1(CNC(=O)CN2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000638162196 357428535 /nfs/dbraw/zinc/42/85/35/357428535.db2.gz FGKLTNPFKGRQGQ-UHFFFAOYSA-N 2 0 254.378 -0.603 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000638169483 357430655 /nfs/dbraw/zinc/43/06/55/357430655.db2.gz AWEIYWOLWFXTHG-LBPRGKRZSA-N 2 0 285.388 -0.469 20 0 CBADRP COC[C@@]1(C(=O)N2CCO[C@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000638173120 357431292 /nfs/dbraw/zinc/43/12/92/357431292.db2.gz SYIHSGCIYQZEPL-DGCLKSJQSA-N 2 0 271.361 -0.669 20 0 CBADRP C[C@H](C[NH3+])NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638171187 357431521 /nfs/dbraw/zinc/43/15/21/357431521.db2.gz PKICJPIUYPLKQQ-YPMHNXCESA-N 2 0 264.373 -0.091 20 0 CBADRP CC(C)[C@H]1CN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC[NH2+]1 ZINC000638196588 357433537 /nfs/dbraw/zinc/43/35/37/357433537.db2.gz FBQQEOIIIHVZEE-DGCLKSJQSA-N 2 0 255.362 -0.179 20 0 CBADRP CC[C@H]1CN(C(=O)CN2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000638202714 357434100 /nfs/dbraw/zinc/43/41/00/357434100.db2.gz JECGMLSZIKGRMU-NWDGAFQWSA-N 2 0 254.378 -0.523 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000638198941 357434246 /nfs/dbraw/zinc/43/42/46/357434246.db2.gz ACHNKEAYUIHRTD-RYUDHWBXSA-N 2 0 252.362 -0.898 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000638198940 357434478 /nfs/dbraw/zinc/43/44/78/357434478.db2.gz ACHNKEAYUIHRTD-NWDGAFQWSA-N 2 0 252.362 -0.898 20 0 CBADRP [NH3+]C[C@]1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCCOC1 ZINC000638214033 357434714 /nfs/dbraw/zinc/43/47/14/357434714.db2.gz OLOHPWQXZUMIMA-NTZNESFSSA-N 2 0 253.346 -0.580 20 0 CBADRP [NH3+]C[C@@]1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCCOC1 ZINC000638214032 357434990 /nfs/dbraw/zinc/43/49/90/357434990.db2.gz OLOHPWQXZUMIMA-LOWVWBTDSA-N 2 0 253.346 -0.580 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000638220770 357436358 /nfs/dbraw/zinc/43/63/58/357436358.db2.gz SFAFEQZTAKNCEV-WCFLWFBJSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638221199 357436548 /nfs/dbraw/zinc/43/65/48/357436548.db2.gz VRVADNFMKAAOHA-CHWSQXEVSA-N 2 0 255.362 -0.061 20 0 CBADRP [NH3+]C[C@@]1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCCOC1 ZINC000638226289 357437399 /nfs/dbraw/zinc/43/73/99/357437399.db2.gz FDOQRNWUFNFNQF-HIFRSBDPSA-N 2 0 296.415 -0.752 20 0 CBADRP CN1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C[NH3+])C1 ZINC000637865935 357379288 /nfs/dbraw/zinc/37/92/88/357379288.db2.gz GNWXCLUWLDPWMJ-NEPJUHHUSA-N 2 0 254.378 -0.428 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@]2(C[NH3+])CCCOC2)CCO1 ZINC000637865445 357379410 /nfs/dbraw/zinc/37/94/10/357379410.db2.gz FISRBEAQYVBLPY-GMXVVIOVSA-N 2 0 271.361 -0.684 20 0 CBADRP CN1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C[NH3+])C1 ZINC000637866347 357379435 /nfs/dbraw/zinc/37/94/35/357379435.db2.gz KXRNSONKKJYAQN-NWDGAFQWSA-N 2 0 254.378 -0.571 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCO1 ZINC000637867157 357380059 /nfs/dbraw/zinc/38/00/59/357380059.db2.gz RXPCDJSAIVJYOF-ZDEQEGDKSA-N 2 0 283.372 -0.576 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638572516 357495365 /nfs/dbraw/zinc/49/53/65/357495365.db2.gz NASPYYQTZVEOSK-TUAOUCFPSA-N 2 0 282.388 -0.499 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638572454 357495391 /nfs/dbraw/zinc/49/53/91/357495391.db2.gz LSKMHHOCNBUASV-AXFHLTTASA-N 2 0 268.361 -0.889 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000638572587 357495704 /nfs/dbraw/zinc/49/57/04/357495704.db2.gz PWRYVMQZDGOAOS-UMNHJUIQSA-N 2 0 270.377 -0.657 20 0 CBADRP [NH3+]C1(C(=O)NC[C@@H]2COCC[NH2+]2)Cc2ccccc2C1 ZINC000638623628 357511678 /nfs/dbraw/zinc/51/16/78/357511678.db2.gz GYQCNUKKERLCBN-CYBMUJFWSA-N 2 0 275.352 -0.413 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000638574816 357496456 /nfs/dbraw/zinc/49/64/56/357496456.db2.gz UWHANNWCJKEAIY-LOWVWBTDSA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000638576867 357497285 /nfs/dbraw/zinc/49/72/85/357497285.db2.gz REDBPBBATMNKCC-NWDGAFQWSA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH2+]CCOCCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000638578376 357497363 /nfs/dbraw/zinc/49/73/63/357497363.db2.gz FDVIJLCCUCMYHK-SNVBAGLBSA-N 2 0 261.391 -0.566 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000638585963 357498981 /nfs/dbraw/zinc/49/89/81/357498981.db2.gz DDRBLNMEQGAMTN-LLVKDONJSA-N 2 0 259.350 -0.941 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@H]([NH3+])CC(F)F ZINC000638592908 357499544 /nfs/dbraw/zinc/49/95/44/357499544.db2.gz VEQRUIFWRSDTKW-MRVPVSSYSA-N 2 0 253.293 -0.337 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)C[C@H]1COCC[NH2+]1 ZINC000638591057 357499675 /nfs/dbraw/zinc/49/96/75/357499675.db2.gz AXSKIDQMRXXLHT-NSHDSACASA-N 2 0 259.350 -0.941 20 0 CBADRP [NH3+]C[C@@H](C(=O)NC[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000638623878 357512737 /nfs/dbraw/zinc/51/27/37/357512737.db2.gz LKNZCGNWDFKSHV-CHWSQXEVSA-N 2 0 263.341 -0.167 20 0 CBADRP COc1cccc([C@H]([NH3+])C(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000638613484 357505024 /nfs/dbraw/zinc/50/50/24/357505024.db2.gz XKQZUNQTGFCQMT-YPMHNXCESA-N 2 0 279.340 -0.200 20 0 CBADRP O=C(CC[C@H]1CCC[NH2+]C1)NC[C@@H]1COCC[NH2+]1 ZINC000638613250 357505119 /nfs/dbraw/zinc/50/51/19/357505119.db2.gz UWPHYMJISHZTDC-VXGBXAGGSA-N 2 0 255.362 -0.129 20 0 CBADRP [NH3+]CCc1ccccc1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638614834 357506228 /nfs/dbraw/zinc/50/62/28/357506228.db2.gz YHSWCXXRTYOGRW-GFCCVEGCSA-N 2 0 263.341 -0.094 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1COCC[NH2+]1 ZINC000638615555 357506757 /nfs/dbraw/zinc/50/67/57/357506757.db2.gz FHHSVOTYSPUBJD-NXEZZACHSA-N 2 0 259.375 -0.814 20 0 CBADRP [NH3+]CCc1nc(C(=O)NC[C@@H]2COCC[NH2+]2)cs1 ZINC000638615523 357506811 /nfs/dbraw/zinc/50/68/11/357506811.db2.gz DGBRENWKQOYLPP-MRVPVSSYSA-N 2 0 270.358 -0.638 20 0 CBADRP [NH3+]C[C@@H](C(=O)NC[C@@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000638615785 357507002 /nfs/dbraw/zinc/50/70/02/357507002.db2.gz HHLGHCUTVLDKDA-CHWSQXEVSA-N 2 0 281.331 -0.027 20 0 CBADRP [NH3+]C[C@H](C(=O)NC[C@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000638615789 357507019 /nfs/dbraw/zinc/50/70/19/357507019.db2.gz HHLGHCUTVLDKDA-STQMWFEESA-N 2 0 281.331 -0.027 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](CC[NH3+])C(F)F)C1 ZINC000638255854 357444899 /nfs/dbraw/zinc/44/48/99/357444899.db2.gz MWSRTGHUCXVSGQ-RNSXUZJQSA-N 2 0 265.304 -0.148 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000638262798 357445107 /nfs/dbraw/zinc/44/51/07/357445107.db2.gz NTSGAVKHVCLAKV-KGLIPLIRSA-N 2 0 280.416 -0.260 20 0 CBADRP C[C@]1(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C[NH2+]CCO1 ZINC000638265934 357446116 /nfs/dbraw/zinc/44/61/16/357446116.db2.gz GZOULEYBGJRHDL-IONNQARKSA-N 2 0 269.267 -0.239 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000638266270 357446243 /nfs/dbraw/zinc/44/62/43/357446243.db2.gz PNJOXDFVKLHREG-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000638269740 357446824 /nfs/dbraw/zinc/44/68/24/357446824.db2.gz UBWDRWRUQPLAJM-ZPFDUUQYSA-N 2 0 255.362 -0.003 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000638617418 357508842 /nfs/dbraw/zinc/50/88/42/357508842.db2.gz ZDIQMJZAXNZRDG-ZJUUUORDSA-N 2 0 279.344 -0.795 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCOCC[NH+](C)C)C1 ZINC000638290493 357451607 /nfs/dbraw/zinc/45/16/07/357451607.db2.gz HOOCEOOHUQNNIX-AAEUAGOBSA-N 2 0 273.377 -0.552 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)C[C@@H]1C[NH3+] ZINC000638344716 357460168 /nfs/dbraw/zinc/46/01/68/357460168.db2.gz VBMSUOUCRQQXMH-NTZNESFSSA-N 2 0 255.362 -0.192 20 0 CBADRP C[C@H]1CCN(C(=O)CN2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000638342216 357460528 /nfs/dbraw/zinc/46/05/28/357460528.db2.gz LRSCKRLDZSZKSP-RYUDHWBXSA-N 2 0 254.378 -0.665 20 0 CBADRP C[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000638342217 357460827 /nfs/dbraw/zinc/46/08/27/357460827.db2.gz LRSCKRLDZSZKSP-VXGBXAGGSA-N 2 0 254.378 -0.665 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638386250 357464375 /nfs/dbraw/zinc/46/43/75/357464375.db2.gz JTIIKKPBWRCZDO-UKRRQHHQSA-N 2 0 299.415 -0.020 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638386251 357464485 /nfs/dbraw/zinc/46/44/85/357464485.db2.gz JTIIKKPBWRCZDO-ZFWWWQNUSA-N 2 0 299.415 -0.020 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)C[C@H]1C[NH3+] ZINC000638390290 357466070 /nfs/dbraw/zinc/46/60/70/357466070.db2.gz JXORGPBZQKWXFH-HKUMRIAESA-N 2 0 285.388 -0.424 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCC1C[NH2+]C1 ZINC000638415489 357471919 /nfs/dbraw/zinc/47/19/19/357471919.db2.gz ZLQMZNVOFJXWGU-UHFFFAOYSA-N 2 0 284.404 -0.536 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638413646 357472213 /nfs/dbraw/zinc/47/22/13/357472213.db2.gz CESRQDXKEDOZMC-GFCCVEGCSA-N 2 0 282.388 -0.488 20 0 CBADRP [NH3+]C[C@]1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CCCOC1 ZINC000638423897 357472663 /nfs/dbraw/zinc/47/26/63/357472663.db2.gz CRQFZLWNCRHSNV-DZGCQCFKSA-N 2 0 296.415 -0.752 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000638417737 357472753 /nfs/dbraw/zinc/47/27/53/357472753.db2.gz JUDWOHAAQYPWFC-QCNJJUDDSA-N 2 0 253.346 -0.297 20 0 CBADRP C[NH+](C)CCC[C@H]1CN(C(=O)CN2CC[NH2+]CC2)CCO1 ZINC000638430766 357475111 /nfs/dbraw/zinc/47/51/11/357475111.db2.gz AZWJUOYCOHKICQ-AWEZNQCLSA-N 2 0 298.431 -0.539 20 0 CBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)CN1CC[NH2+]CC1)C2 ZINC000638442316 357477504 /nfs/dbraw/zinc/47/75/04/357477504.db2.gz RQZKSKMWHQUBOV-YPMHNXCESA-N 2 0 252.362 -0.769 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638619952 357510527 /nfs/dbraw/zinc/51/05/27/357510527.db2.gz WRYMQLMCBJWZIQ-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638485676 357483277 /nfs/dbraw/zinc/48/32/77/357483277.db2.gz MJRDOHYLBCFQOU-GFCCVEGCSA-N 2 0 297.403 -0.846 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000638487802 357484085 /nfs/dbraw/zinc/48/40/85/357484085.db2.gz CKTKCPQUSLKFSS-NWDGAFQWSA-N 2 0 255.362 -0.179 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@H](C)N1CCNCC1=O ZINC000638491174 357484386 /nfs/dbraw/zinc/48/43/86/357484386.db2.gz FXGJLTGWKNGGCA-NWDGAFQWSA-N 2 0 282.388 -0.737 20 0 CBADRP CC1(C)CC[NH2+][C@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000638495038 357485469 /nfs/dbraw/zinc/48/54/69/357485469.db2.gz DOUPFQPIOPRQJS-RYUDHWBXSA-N 2 0 296.415 -0.170 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000638496542 357486460 /nfs/dbraw/zinc/48/64/60/357486460.db2.gz UFOOYOYCXPYKGK-STQMWFEESA-N 2 0 296.415 -0.168 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000638623227 357511228 /nfs/dbraw/zinc/51/12/28/357511228.db2.gz AOSIKYKRMRVYDV-GXTWGEPZSA-N 2 0 275.352 -0.022 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638507185 357491019 /nfs/dbraw/zinc/49/10/19/357491019.db2.gz BLKDWSPVOWNHOJ-QWRGUYRKSA-N 2 0 253.346 -0.234 20 0 CBADRP [NH3+]Cc1ncc(C(=O)N[C@H]2CC[NH2+]C23CCC3)cn1 ZINC000638514373 357491670 /nfs/dbraw/zinc/49/16/70/357491670.db2.gz SUMSPAAHHSRELN-JTQLQIEISA-N 2 0 261.329 -0.050 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638515006 357491730 /nfs/dbraw/zinc/49/17/30/357491730.db2.gz WSQUCBNJOZCVDJ-DCAQKATOSA-N 2 0 253.346 -0.249 20 0 CBADRP [NH3+][C@@H]1CCCCN(CC(=O)N[C@@H]2CC[NH2+]C23CCC3)C1=O ZINC000638510656 357491801 /nfs/dbraw/zinc/49/18/01/357491801.db2.gz KHDDZPAOCRVSCV-VXGBXAGGSA-N 2 0 294.399 -0.273 20 0 CBADRP CCN(CC[NH3+])C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000638518785 357492857 /nfs/dbraw/zinc/49/28/57/357492857.db2.gz QBAFWHZRVFVQPU-NSHDSACASA-N 2 0 270.377 -0.796 20 0 CBADRP [NH3+]CCOCC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000638526225 357493107 /nfs/dbraw/zinc/49/31/07/357493107.db2.gz IFRLTIGLAZUPLO-QWHCGFSZSA-N 2 0 263.341 -0.167 20 0 CBADRP [NH3+]C1(CNC(=O)C[C@@H]2CSCC[NH2+]2)CCOCC1 ZINC000638540278 357493347 /nfs/dbraw/zinc/49/33/47/357493347.db2.gz LZNCNYLYSDBIQX-SNVBAGLBSA-N 2 0 273.402 -0.294 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000638528711 357493586 /nfs/dbraw/zinc/49/35/86/357493586.db2.gz PEDZQDAKAXQTNQ-LSDHHAIUSA-N 2 0 288.395 -0.237 20 0 CBADRP C[C@@H]1CN(C)C[C@@H](C(=O)NCC2([NH3+])CCOCC2)O1 ZINC000638541532 357494048 /nfs/dbraw/zinc/49/40/48/357494048.db2.gz IRZMAJQBYSMARN-MNOVXSKESA-N 2 0 271.361 -0.670 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH3+])CCOCC1 ZINC000638541768 357494673 /nfs/dbraw/zinc/49/46/73/357494673.db2.gz WYEDXASBASFFKU-MNOVXSKESA-N 2 0 255.362 -0.001 20 0 CBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC1(C[NH3+])CCOCC1 ZINC000638633877 357513633 /nfs/dbraw/zinc/51/36/33/357513633.db2.gz INSVYXXKFHJFIM-WDEREUQCSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]CCCOCCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000638660682 357517079 /nfs/dbraw/zinc/51/70/79/357517079.db2.gz HYCIBNOTGNHTLM-LLVKDONJSA-N 2 0 255.362 -0.142 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCOCCC[NH3+])C1 ZINC000638662500 357517102 /nfs/dbraw/zinc/51/71/02/357517102.db2.gz CORUPIVDNFNRFG-CMPLNLGQSA-N 2 0 259.350 -0.765 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCCOCCC[NH3+])C1 ZINC000638662505 357517404 /nfs/dbraw/zinc/51/74/04/357517404.db2.gz CORUPIVDNFNRFG-PWSUYJOCSA-N 2 0 259.350 -0.765 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638670381 357518057 /nfs/dbraw/zinc/51/80/57/357518057.db2.gz NBXJWWWGLJZOKA-SNVBAGLBSA-N 2 0 283.294 -0.038 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638670380 357518083 /nfs/dbraw/zinc/51/80/83/357518083.db2.gz NBXJWWWGLJZOKA-JTQLQIEISA-N 2 0 283.294 -0.038 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N(C)CCOCC[NH3+])C1 ZINC000638669627 357518125 /nfs/dbraw/zinc/51/81/25/357518125.db2.gz FLAOYOZIWWGUJG-PWSUYJOCSA-N 2 0 259.350 -0.813 20 0 CBADRP CCO[C@H]1C[C@]([NH3+])(C(=O)N(C)CCOCC[NH3+])C1(C)C ZINC000638674313 357519088 /nfs/dbraw/zinc/51/90/88/357519088.db2.gz IDDJBAVIHQUGRZ-FZMZJTMJSA-N 2 0 287.404 -0.047 20 0 CBADRP CO[C@@]1(C[NH2+]CC2(O)CC[NH+](C)CC2)CCOC1 ZINC000638681121 357520876 /nfs/dbraw/zinc/52/08/76/357520876.db2.gz CTSIFZSSZDCFKR-CYBMUJFWSA-N 2 0 258.362 -0.162 20 0 CBADRP CN(CCOCC[NH3+])C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000638680509 357520885 /nfs/dbraw/zinc/52/08/85/357520885.db2.gz UQXMXKZNSJQRBG-CYBMUJFWSA-N 2 0 265.357 -0.010 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638764841 357527362 /nfs/dbraw/zinc/52/73/62/357527362.db2.gz BRYDNDRAZXWRGQ-QWHCGFSZSA-N 2 0 287.404 -0.162 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000638767975 357527366 /nfs/dbraw/zinc/52/73/66/357527366.db2.gz NWHHQNZMODUYFA-HBNTYKKESA-N 2 0 278.360 -0.490 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638780557 357528305 /nfs/dbraw/zinc/52/83/05/357528305.db2.gz SJRHITMSLNROMZ-CMPLNLGQSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638780558 357528355 /nfs/dbraw/zinc/52/83/55/357528355.db2.gz SJRHITMSLNROMZ-JQWIXIFHSA-N 2 0 255.362 -0.049 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000638802326 357531685 /nfs/dbraw/zinc/53/16/85/357531685.db2.gz TUZYRNGAJNIIKY-FBKDDSFISA-N 2 0 267.373 -0.003 20 0 CBADRP CO[C@@H]1CN(C(=O)CCC2C[NH2+]C2)[C@](C)(C[NH3+])C1 ZINC000638862696 357538704 /nfs/dbraw/zinc/53/87/04/357538704.db2.gz HDUMQWHNMVAZRI-AAEUAGOBSA-N 2 0 255.362 -0.049 20 0 CBADRP CC(C)[NH2+]CC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000638855321 357538734 /nfs/dbraw/zinc/53/87/34/357538734.db2.gz AZCRFYHRSDOHRK-ZDUSSCGKSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000638856656 357539039 /nfs/dbraw/zinc/53/90/39/357539039.db2.gz QJZZEEOPHGBTOZ-WCQYABFASA-N 2 0 296.415 -0.204 20 0 CBADRP [NH3+][C@@H](CCNC(=O)C1(O)C[NH2+]C1)Cc1ccccc1 ZINC000638883240 357540253 /nfs/dbraw/zinc/54/02/53/357540253.db2.gz YPRPJOGIZKTLCT-LBPRGKRZSA-N 2 0 263.341 -0.603 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000638905084 357541798 /nfs/dbraw/zinc/54/17/98/357541798.db2.gz AKSFFADJKMBQNS-KGYLQXTDSA-N 2 0 292.387 -0.102 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000638905085 357541894 /nfs/dbraw/zinc/54/18/94/357541894.db2.gz AKSFFADJKMBQNS-RAIGVLPGSA-N 2 0 292.387 -0.102 20 0 CBADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914405 357542697 /nfs/dbraw/zinc/54/26/97/357542697.db2.gz ADAMSUYEJIOJSF-UTLUCORTSA-N 2 0 261.329 -0.327 20 0 CBADRP COCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC000638925503 357543966 /nfs/dbraw/zinc/54/39/66/357543966.db2.gz OVNHCBIOIRXSST-TXEJJXNPSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCOC1 ZINC000638927211 357544966 /nfs/dbraw/zinc/54/49/66/357544966.db2.gz VLSBGDHIZYEFAN-NTZNESFSSA-N 2 0 253.346 -0.295 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638933711 357546105 /nfs/dbraw/zinc/54/61/05/357546105.db2.gz ZDMZJLCCVQMHEX-QWHCGFSZSA-N 2 0 287.404 -0.081 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000638950046 357546728 /nfs/dbraw/zinc/54/67/28/357546728.db2.gz IFENRWVZYBAZFV-MNXVOIDGSA-N 2 0 267.373 -0.144 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639026069 357553884 /nfs/dbraw/zinc/55/38/84/357553884.db2.gz XDTDDIMHOAFMMU-SRVKXCTJSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+][C@H]1CC[C@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000639030117 357555064 /nfs/dbraw/zinc/55/50/64/357555064.db2.gz AXJFJIILLFJITP-SRVKXCTJSA-N 2 0 282.388 -0.369 20 0 CBADRP CC1(C)CN(C(=O)NCC2([NH3+])CCC2)CC[N@@H+]1CCO ZINC000640444720 357652434 /nfs/dbraw/zinc/65/24/34/357652434.db2.gz PAQSFIYYGQBKBG-UHFFFAOYSA-N 2 0 284.404 -0.034 20 0 CBADRP CN(CC1CN(C)C1)S(=O)(=O)CCn1ccnc1 ZINC000641607141 357728517 /nfs/dbraw/zinc/72/85/17/357728517.db2.gz NBCFDRHAYGJEKM-UHFFFAOYSA-N 2 0 272.374 -0.294 20 0 CBADRP CC(C)[N@H+](C)C[C@@H](O)Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000641220773 357681033 /nfs/dbraw/zinc/68/10/33/357681033.db2.gz FJYFZPDMIHLEGD-CQSZACIVSA-N 2 0 296.419 -0.616 20 0 CBADRP COCC[N@H+](C)C[C@H](O)Cn1cc(CC[NH+](C)C)nn1 ZINC000641222370 357681908 /nfs/dbraw/zinc/68/19/08/357681908.db2.gz KFUVACGCHXXUMO-ZDUSSCGKSA-N 2 0 285.392 -0.679 20 0 CBADRP COCCN(C)CCNS(=O)(=O)CCn1ccnc1 ZINC000641444968 357706584 /nfs/dbraw/zinc/70/65/84/357706584.db2.gz VZJRDYGSTUTMRZ-UHFFFAOYSA-N 2 0 290.389 -0.619 20 0 CBADRP CN1CCN(C(=O)CC[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000641800845 357743294 /nfs/dbraw/zinc/74/32/94/357743294.db2.gz HEINCJWLTGMRBS-NEPJUHHUSA-N 2 0 268.405 -0.134 20 0 CBADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000641995223 357749258 /nfs/dbraw/zinc/74/92/58/357749258.db2.gz LJBNVHWSDHIIND-KBPBESRZSA-N 2 0 297.447 -0.128 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000642080304 357749633 /nfs/dbraw/zinc/74/96/33/357749633.db2.gz KKHUESIOZZDWRQ-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000641995225 357749913 /nfs/dbraw/zinc/74/99/13/357749913.db2.gz LJBNVHWSDHIIND-UONOGXRCSA-N 2 0 297.447 -0.128 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[NH2+]C ZINC000642439310 357754282 /nfs/dbraw/zinc/75/42/82/357754282.db2.gz AYGHPFVADFQTLT-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642431209 357754500 /nfs/dbraw/zinc/75/45/00/357754500.db2.gz WOYZXRIWIZBLBO-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000642439530 357755019 /nfs/dbraw/zinc/75/50/19/357755019.db2.gz KYPIPZUOVIINMT-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642439835 357755457 /nfs/dbraw/zinc/75/54/57/357755457.db2.gz OVGAGTIEZKZDPE-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000642440197 357755534 /nfs/dbraw/zinc/75/55/34/357755534.db2.gz YVDFFBQOGSHALS-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000642439403 357755719 /nfs/dbraw/zinc/75/57/19/357755719.db2.gz FTKWEIPOKSRMRO-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000642548584 357756249 /nfs/dbraw/zinc/75/62/49/357756249.db2.gz XXQUSVLWJRXPGW-GHMZBOCLSA-N 2 0 286.420 -0.068 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000642548604 357756271 /nfs/dbraw/zinc/75/62/71/357756271.db2.gz XXQUSVLWJRXPGW-QWRGUYRKSA-N 2 0 286.420 -0.068 20 0 CBADRP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000642535617 357756312 /nfs/dbraw/zinc/75/63/12/357756312.db2.gz RFGQSBAXFLMRPT-NEPJUHHUSA-N 2 0 294.399 -0.402 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000642698860 357758517 /nfs/dbraw/zinc/75/85/17/357758517.db2.gz XFOVJQFEMRCEGA-TXEJJXNPSA-N 2 0 294.399 -0.735 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000642732139 357760111 /nfs/dbraw/zinc/76/01/11/357760111.db2.gz FCCHEUXBPOHERP-QWRGUYRKSA-N 2 0 270.377 -0.702 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642755910 357761051 /nfs/dbraw/zinc/76/10/51/357761051.db2.gz ZHHNZGSIPYTWFM-UWVGGRQHSA-N 2 0 258.366 -0.704 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000642785779 357761983 /nfs/dbraw/zinc/76/19/83/357761983.db2.gz JPGZPRAGDRUCLL-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000642785656 357762018 /nfs/dbraw/zinc/76/20/18/357762018.db2.gz BWYCHDRDYUOSHP-CHWSQXEVSA-N 2 0 294.399 -0.545 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000642786017 357762134 /nfs/dbraw/zinc/76/21/34/357762134.db2.gz XFOIRNLKUPPLSV-QWHCGFSZSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[C@H]1[NH3+] ZINC000642785630 357762350 /nfs/dbraw/zinc/76/23/50/357762350.db2.gz AFGSBUURASPMGR-KGYLQXTDSA-N 2 0 294.399 -0.608 20 0 CBADRP [NH3+][C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000642785845 357762742 /nfs/dbraw/zinc/76/27/42/357762742.db2.gz MSNWDOWVSBVUAS-STQMWFEESA-N 2 0 294.399 -0.560 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642801258 357763540 /nfs/dbraw/zinc/76/35/40/357763540.db2.gz SEAYVHQWEDWEFS-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642810434 357763657 /nfs/dbraw/zinc/76/36/57/357763657.db2.gz DRISVGXCECAQSF-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642801257 357763772 /nfs/dbraw/zinc/76/37/72/357763772.db2.gz SEAYVHQWEDWEFS-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642902393 357765309 /nfs/dbraw/zinc/76/53/09/357765309.db2.gz RJRSDQCCMNBHMZ-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642903644 357765821 /nfs/dbraw/zinc/76/58/21/357765821.db2.gz MROAWFAEISGABD-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642905125 357766494 /nfs/dbraw/zinc/76/64/94/357766494.db2.gz GZGQLYOXAYFVNR-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)[NH3+])C1 ZINC000642908242 357766570 /nfs/dbraw/zinc/76/65/70/357766570.db2.gz MEXQFXYISRKXGX-GHMZBOCLSA-N 2 0 270.377 -0.561 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000642904365 357766764 /nfs/dbraw/zinc/76/67/64/357766764.db2.gz UOABEOLSMRBNNC-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000642909332 357767175 /nfs/dbraw/zinc/76/71/75/357767175.db2.gz KTRWIBOKFGAIFZ-UTUOFQBUSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000642910016 357768362 /nfs/dbraw/zinc/76/83/62/357768362.db2.gz YFWQHKAQRXOBDG-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642911172 357768722 /nfs/dbraw/zinc/76/87/22/357768722.db2.gz XNQYTSOFVRRUQI-LLVKDONJSA-N 2 0 272.393 -0.504 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000642910500 357768733 /nfs/dbraw/zinc/76/87/33/357768733.db2.gz HPSRGBCDOGEFAX-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000642917422 357769256 /nfs/dbraw/zinc/76/92/56/357769256.db2.gz ILYPFOHIIIKVME-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642919109 357770331 /nfs/dbraw/zinc/77/03/31/357770331.db2.gz OMLCRHRVYPXTEM-CYBMUJFWSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642919125 357770428 /nfs/dbraw/zinc/77/04/28/357770428.db2.gz OZGBCWMISXHAQD-GFCCVEGCSA-N 2 0 282.388 -0.593 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000642979361 357773696 /nfs/dbraw/zinc/77/36/96/357773696.db2.gz YPQYYOXGNBOENJ-LLVKDONJSA-N 2 0 280.372 -0.709 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000642961142 357773941 /nfs/dbraw/zinc/77/39/41/357773941.db2.gz QBTRAEBUKGVTOR-CHWSQXEVSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@@H]1CCCN(C(=O)C(=O)N(C)CCC[NH+](C)C)[C@H]1C[NH3+] ZINC000643593262 357791305 /nfs/dbraw/zinc/79/13/05/357791305.db2.gz UCGJJUQLAFLICS-OLZOCXBDSA-N 2 0 298.431 -0.018 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000643592636 357791635 /nfs/dbraw/zinc/79/16/35/357791635.db2.gz RRPARDAHDQBPEV-NWDGAFQWSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)[C@H]1CCC[NH2+]1 ZINC000643460858 357783253 /nfs/dbraw/zinc/78/32/53/357783253.db2.gz QGLYYGQPLQWJNT-GHMZBOCLSA-N 2 0 263.407 -0.002 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000643471905 357784173 /nfs/dbraw/zinc/78/41/73/357784173.db2.gz PEKYGBXBDLMMQD-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CC[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)[C@@H]2CCC[C@H]21 ZINC000643500302 357785756 /nfs/dbraw/zinc/78/57/56/357785756.db2.gz ABLSHPYCSJADGW-MELADBBJSA-N 3 0 280.416 -0.119 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000643553717 357788694 /nfs/dbraw/zinc/78/86/94/357788694.db2.gz NQTOEYRKUVEIQV-JHJVBQTASA-N 2 0 296.415 -0.219 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000643581022 357790154 /nfs/dbraw/zinc/79/01/54/357790154.db2.gz UYXJUSJDFYPWJG-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000449694597 283334132 /nfs/dbraw/zinc/33/41/32/283334132.db2.gz HESYVUWBMHMJAG-CHWSQXEVSA-N 2 0 268.405 -0.119 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125311608 283365006 /nfs/dbraw/zinc/36/50/06/283365006.db2.gz OAWKNFXXHJIQST-MMWGEVLESA-N 2 0 268.361 -0.110 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000341571782 216017646 /nfs/dbraw/zinc/01/76/46/216017646.db2.gz WMAMPAVJQZAKRR-CQSZACIVSA-N 2 0 295.431 -0.278 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000341571781 216017848 /nfs/dbraw/zinc/01/78/48/216017848.db2.gz WMAMPAVJQZAKRR-AWEZNQCLSA-N 2 0 295.431 -0.278 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574085503 334991070 /nfs/dbraw/zinc/99/10/70/334991070.db2.gz CBNYDOZHIHYXGM-ZDUSSCGKSA-N 2 0 255.362 -0.176 20 0 CBADRP CNC(=O)C[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000341894551 216142042 /nfs/dbraw/zinc/14/20/42/216142042.db2.gz GEQUUGBTBDQDBN-NWDGAFQWSA-N 2 0 256.394 -0.264 20 0 CBADRP C[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000340184886 296014560 /nfs/dbraw/zinc/01/45/60/296014560.db2.gz KNASLZRKJKEMSK-NXEZZACHSA-N 2 0 256.350 -0.963 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)[N@H+](C)C1CC1 ZINC000342092035 216215801 /nfs/dbraw/zinc/21/58/01/216215801.db2.gz VSNZSOFGDCVYMU-NSHDSACASA-N 2 0 284.404 -0.395 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529391133 283614711 /nfs/dbraw/zinc/61/47/11/283614711.db2.gz YASUIPAOBHLBHW-HBNTYKKESA-N 2 0 256.350 -0.647 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000342519969 216382257 /nfs/dbraw/zinc/38/22/57/216382257.db2.gz ZSIXJDVWWLSYEP-MJBXVCDLSA-N 2 0 282.432 -0.064 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370785496 296054867 /nfs/dbraw/zinc/05/48/67/296054867.db2.gz FJGHSTRHCHNVCO-LBPRGKRZSA-N 2 0 253.346 -0.282 20 0 CBADRP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000226999785 296063878 /nfs/dbraw/zinc/06/38/78/296063878.db2.gz CJKWUIOLBDGFKV-XQQFMLRXSA-N 2 0 267.373 -0.204 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000574200734 335000387 /nfs/dbraw/zinc/00/03/87/335000387.db2.gz PHFWXJLZXXTYAG-FRRDWIJNSA-N 2 0 294.399 -0.402 20 0 CBADRP O=C([C@H]1CC[NH2+]1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000444166348 296123868 /nfs/dbraw/zinc/12/38/68/296123868.db2.gz BDSULQJZBXFGSR-QWHCGFSZSA-N 2 0 267.373 -0.081 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@@H]1C[NH2+]CCCO1 ZINC000574276341 335006069 /nfs/dbraw/zinc/00/60/69/335006069.db2.gz XLYMBOBXGFRHTL-RYUDHWBXSA-N 2 0 271.361 -0.750 20 0 CBADRP [NH3+]CCCC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000574275589 335006104 /nfs/dbraw/zinc/00/61/04/335006104.db2.gz KGIITEQHLDLJTM-GFCCVEGCSA-N 2 0 282.388 -0.604 20 0 CBADRP C[N@H+](C[C@@H](O)CN[C@H]1CCC[NH+](CCCO)C1)C1CC1 ZINC000576583839 335222182 /nfs/dbraw/zinc/22/21/82/335222182.db2.gz FDSLCEYHOFJPKS-ZFWWWQNUSA-N 2 0 285.432 -0.122 20 0 CBADRP CC(C)C(=O)NCC[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000574324330 335010465 /nfs/dbraw/zinc/01/04/65/335010465.db2.gz GCYABXPRIGLRDJ-UHFFFAOYSA-N 2 0 284.404 -0.488 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000574336224 335011628 /nfs/dbraw/zinc/01/16/28/335011628.db2.gz LOVHPYXBGVRDPB-KKUMJFAQSA-N 2 0 285.432 -0.049 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000574340141 335012436 /nfs/dbraw/zinc/01/24/36/335012436.db2.gz WFKVYGLXVOIFGR-KKOKHZNYSA-N 2 0 280.372 -0.855 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000364557288 296137343 /nfs/dbraw/zinc/13/73/43/296137343.db2.gz DOBOYRSZFYQFKD-QWHCGFSZSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747828 296137462 /nfs/dbraw/zinc/13/74/62/296137462.db2.gz GAPCDJKEUMHOBI-GFCCVEGCSA-N 2 0 253.346 -0.329 20 0 CBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000037824273 296147802 /nfs/dbraw/zinc/14/78/02/296147802.db2.gz IEOVCMRUMLQUTG-RWMBFGLXSA-N 2 0 267.373 -0.204 20 0 CBADRP CC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000236852042 189848795 /nfs/dbraw/zinc/84/87/95/189848795.db2.gz HVDYTYXQYJAHAN-OLZOCXBDSA-N 2 0 269.389 -0.053 20 0 CBADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CC(N)=O)CC1 ZINC000337336030 214014946 /nfs/dbraw/zinc/01/49/46/214014946.db2.gz MPZCJFKOPGRIPA-UHFFFAOYSA-N 2 0 256.394 -0.180 20 0 CBADRP C[C@@]([NH2+]CCOCC[NH3+])(C(N)=O)c1ccccc1 ZINC000574400437 335016584 /nfs/dbraw/zinc/01/65/84/335016584.db2.gz NSFANVIYABGAGQ-ZDUSSCGKSA-N 2 0 251.330 -0.048 20 0 CBADRP C[C@H]1CN(C)C[C@H]1[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000344303846 217141344 /nfs/dbraw/zinc/14/13/44/217141344.db2.gz CMOZOPWLCUBHFD-JKSUJKDBSA-N 2 0 298.475 -0.084 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125271684 372795848 /nfs/dbraw/zinc/79/58/48/372795848.db2.gz QDKZPOGPGPLFGO-AXFHLTTASA-N 2 0 268.361 -0.109 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000068807567 372766004 /nfs/dbraw/zinc/76/60/04/372766004.db2.gz OSDRIHLIJDDXQM-OCCSQVGLSA-N 2 0 268.405 -0.262 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000163222312 372824442 /nfs/dbraw/zinc/82/44/42/372824442.db2.gz SIQMEFKBZGEPHS-VHSXEESVSA-N 2 0 268.361 -0.014 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000156977748 372808210 /nfs/dbraw/zinc/80/82/10/372808210.db2.gz CQXDTYHJPLNBMQ-NNYUYHANSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000157309244 372808958 /nfs/dbraw/zinc/80/89/58/372808958.db2.gz XLYYMNIGQORCQE-CHWSQXEVSA-N 2 0 268.405 -0.038 20 0 CBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000158207157 372812849 /nfs/dbraw/zinc/81/28/49/372812849.db2.gz WPJFPYYDXSUODB-IUODEOHRSA-N 2 0 298.431 -0.114 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000353446496 220089369 /nfs/dbraw/zinc/08/93/69/220089369.db2.gz JWPRCAGFIIARHT-NEPJUHHUSA-N 2 0 255.362 -0.096 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000353467311 220100660 /nfs/dbraw/zinc/10/06/60/220100660.db2.gz LJAHQIHRIIASRO-GFCCVEGCSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H](CNC(=O)C[C@@H]1COCC[NH2+]1)[N@H+](C)C1CC1 ZINC000219992643 372870729 /nfs/dbraw/zinc/87/07/29/372870729.db2.gz OMUNCHJUYCRJHR-WDEREUQCSA-N 2 0 255.362 -0.036 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000353460136 220096769 /nfs/dbraw/zinc/09/67/69/220096769.db2.gz NWEJSSRXKUIKRF-UPJWGTAASA-N 2 0 268.405 -0.264 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](C[NH3+])OC ZINC000353463450 220097515 /nfs/dbraw/zinc/09/75/15/220097515.db2.gz VMKZGSCCTQVZBF-MNOVXSKESA-N 2 0 261.366 -0.567 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000353470931 220102923 /nfs/dbraw/zinc/10/29/23/220102923.db2.gz LQORIOLMVOGSFF-CQSZACIVSA-N 2 0 297.447 -0.031 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000353472326 220103581 /nfs/dbraw/zinc/10/35/81/220103581.db2.gz STDNZHABKPRSTG-CHWSQXEVSA-N 2 0 285.388 -0.469 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252866190 372898230 /nfs/dbraw/zinc/89/82/30/372898230.db2.gz QDKZPOGPGPLFGO-GARJFASQSA-N 2 0 268.361 -0.109 20 0 CBADRP CNC(=O)NC(=O)[C@@H](C)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261569170 372906022 /nfs/dbraw/zinc/90/60/22/372906022.db2.gz JOHUCBXYROMLHR-BXKDBHETSA-N 2 0 254.334 -0.484 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)CC[NH2+]C1 ZINC000333349063 205240054 /nfs/dbraw/zinc/24/00/54/205240054.db2.gz JHGPFOTZVJBLGM-LOWVWBTDSA-N 2 0 255.362 -0.131 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000353505404 220124097 /nfs/dbraw/zinc/12/40/97/220124097.db2.gz DHZLVZVXXBMJJZ-GFCCVEGCSA-N 2 0 285.388 -0.279 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000331959002 372999615 /nfs/dbraw/zinc/99/96/15/372999615.db2.gz SAMCMVJDWHSBIW-STQMWFEESA-N 2 0 292.383 -0.721 20 0 CBADRP CN(C(=O)NC[C@H]1CCC[N@@H+]1C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333947678 373014287 /nfs/dbraw/zinc/01/42/87/373014287.db2.gz VTBUKQHCOAKDML-VWYCJHECSA-N 2 0 256.350 -0.945 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000342374999 373045727 /nfs/dbraw/zinc/04/57/27/373045727.db2.gz OFICRJFOHLLHPJ-NWDGAFQWSA-N 2 0 257.378 -0.122 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000355296538 373122271 /nfs/dbraw/zinc/12/22/71/373122271.db2.gz HQLXETUQEXAQQH-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000355250620 373123533 /nfs/dbraw/zinc/12/35/33/373123533.db2.gz DXFLKHJZILEJSB-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@]1(C(=O)NCCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000360468503 373194472 /nfs/dbraw/zinc/19/44/72/373194472.db2.gz WALFXKQDPIBMRP-ZDUSSCGKSA-N 2 0 254.378 -0.603 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000353582656 220172885 /nfs/dbraw/zinc/17/28/85/220172885.db2.gz RUWGWXFYLUGVQH-GFCCVEGCSA-N 2 0 255.362 -0.177 20 0 CBADRP CN(CC[N@H+](C)[C@@H]1COC[C@@H]1O)C1CC[NH+](C)CC1 ZINC000361328320 373277417 /nfs/dbraw/zinc/27/74/17/373277417.db2.gz KGKZKXPJBWXRRD-KGLIPLIRSA-N 2 0 271.405 -0.296 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000361554490 373306883 /nfs/dbraw/zinc/30/68/83/373306883.db2.gz TVIJKFNBDPJEOP-OAHLLOKOSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000362498159 373419247 /nfs/dbraw/zinc/41/92/47/373419247.db2.gz KWVHNSRQILSNJS-STQMWFEESA-N 2 0 296.415 -0.584 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000362761784 373444632 /nfs/dbraw/zinc/44/46/32/373444632.db2.gz BUHIAAKXLAKHAG-JHJVBQTASA-N 2 0 296.415 -0.360 20 0 CBADRP O=C1CCCN1CC[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000362841240 373453969 /nfs/dbraw/zinc/45/39/69/373453969.db2.gz VPIGXNHMCSMIMZ-ZDUSSCGKSA-N 2 0 294.399 -0.495 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000363738905 373506534 /nfs/dbraw/zinc/50/65/34/373506534.db2.gz IICOHXHVJMQKJX-DGCLKSJQSA-N 2 0 255.362 -0.320 20 0 CBADRP [NH3+]Cc1cc(C(=O)NCCCN2CC[NH2+]CC2)co1 ZINC000574450152 335020474 /nfs/dbraw/zinc/02/04/74/335020474.db2.gz GNWRGIVVZWVZNG-UHFFFAOYSA-N 2 0 266.345 -0.237 20 0 CBADRP C[C@@H]1OCC[C@]12CN(CC(=O)N1CCN(C)CC1)CCO2 ZINC000375926067 373569584 /nfs/dbraw/zinc/56/95/84/373569584.db2.gz CZCFEHDGJOXLON-ZFWWWQNUSA-N 2 0 297.399 -0.360 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)C1(N2CCOCC2)CCC1 ZINC000376879147 373573523 /nfs/dbraw/zinc/57/35/23/373573523.db2.gz BFACIRYIEVESCN-UHFFFAOYSA-N 2 0 299.415 -0.328 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417436999 373628924 /nfs/dbraw/zinc/62/89/24/373628924.db2.gz GAUYMIZFVYIXDL-CHWSQXEVSA-N 2 0 284.404 -0.185 20 0 CBADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418375722 373631439 /nfs/dbraw/zinc/63/14/39/373631439.db2.gz HXSQSXIBIYTZHY-VXGBXAGGSA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)C[C@H](C)[N@H+]1CCO ZINC000418378878 373632314 /nfs/dbraw/zinc/63/23/14/373632314.db2.gz JWBKSMLLUGJQPG-TUAOUCFPSA-N 2 0 270.377 -0.555 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000418708946 373633628 /nfs/dbraw/zinc/63/36/28/373633628.db2.gz UOJLMFFCZNIFSH-KXNHARMFSA-N 2 0 272.393 -0.181 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419032395 373634942 /nfs/dbraw/zinc/63/49/42/373634942.db2.gz WMQLSZWONGXIHN-AGIUHOORSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419032400 373635107 /nfs/dbraw/zinc/63/51/07/373635107.db2.gz WMQLSZWONGXIHN-FRRDWIJNSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419111645 373636003 /nfs/dbraw/zinc/63/60/03/373636003.db2.gz UGYDVRXLCSHCMT-AAEUAGOBSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)[NH+]1CCC(C)CC1 ZINC000419165024 373636080 /nfs/dbraw/zinc/63/60/80/373636080.db2.gz ZYHFMHXQZABCFQ-STQMWFEESA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)C[C@H](C)[NH2+]1 ZINC000419538604 373638155 /nfs/dbraw/zinc/63/81/55/373638155.db2.gz ADZFHLSGZASMAZ-YVECIDJPSA-N 2 0 296.415 -0.206 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419415535 373638728 /nfs/dbraw/zinc/63/87/28/373638728.db2.gz VDHCPDYSCYPKCP-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000419541786 373639171 /nfs/dbraw/zinc/63/91/71/373639171.db2.gz DTXRCNSIFVJZQA-TUAOUCFPSA-N 2 0 284.404 -0.315 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)[C@H](C)C[NH2+]1 ZINC000419561175 373640127 /nfs/dbraw/zinc/64/01/27/373640127.db2.gz SDIJXRQLGMXKDI-FDYHWXHSSA-N 2 0 296.415 -0.206 20 0 CBADRP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CCN1C ZINC000419892756 373642769 /nfs/dbraw/zinc/64/27/69/373642769.db2.gz UUSFVFIWJOVGFQ-NWDGAFQWSA-N 2 0 282.388 -0.737 20 0 CBADRP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336592 373649212 /nfs/dbraw/zinc/64/92/12/373649212.db2.gz IXVYHFDFMLNHRN-GHMZBOCLSA-N 2 0 268.361 -0.237 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)C[C@H]1[NH3+] ZINC000423232995 373654904 /nfs/dbraw/zinc/65/49/04/373654904.db2.gz DAMBNIQKEFYXIQ-GRYCIOLGSA-N 2 0 282.388 -0.655 20 0 CBADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000424187177 373665004 /nfs/dbraw/zinc/66/50/04/373665004.db2.gz AIXPHYLMMCKWCK-MCIONIFRSA-N 2 0 297.399 -0.280 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000427290685 373668498 /nfs/dbraw/zinc/66/84/98/373668498.db2.gz BUJZDQMLERCMNR-RWMBFGLXSA-N 2 0 269.389 -0.101 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C1CC[NH+](C)CC1 ZINC000428176753 373671143 /nfs/dbraw/zinc/67/11/43/373671143.db2.gz NSZLAVFZALTOLR-UHFFFAOYSA-N 2 0 282.388 -0.782 20 0 CBADRP [NH3+][C@@H]1CCc2ncc(NC(=O)[C@H]3C[NH2+]CCO3)cc2C1 ZINC000444262820 373682926 /nfs/dbraw/zinc/68/29/26/373682926.db2.gz KZIITEMRFWEXCQ-ZWNOBZJWSA-N 2 0 276.340 -0.176 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CC[NH2+]1 ZINC000444168768 373683896 /nfs/dbraw/zinc/68/38/96/373683896.db2.gz JBIMCQATFQDNKX-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP COCC[NH2+]CC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000515059141 373774967 /nfs/dbraw/zinc/77/49/67/373774967.db2.gz BHIGWOPREBLNAX-NWDGAFQWSA-N 2 0 255.362 -0.273 20 0 CBADRP CC1CC[NH+](C[C@H](O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000514670821 373759544 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C[NH+](C)CCCN1C(=O)C[C@H]([NH2+]C2(CO)CCCC2)C1=O ZINC000520604841 373832723 /nfs/dbraw/zinc/83/27/23/373832723.db2.gz ZLLIHOYDGSEYIN-LBPRGKRZSA-N 2 0 297.399 -0.040 20 0 CBADRP C[NH+](C)CCOCC[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000520812652 373835188 /nfs/dbraw/zinc/83/51/88/373835188.db2.gz CBZGKMKBARBJSF-UHFFFAOYSA-N 2 0 298.387 -0.325 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000520841102 373836515 /nfs/dbraw/zinc/83/65/15/373836515.db2.gz DWBLAENATHWXES-NAKRPEOUSA-N 2 0 283.376 -0.934 20 0 CBADRP CC[C@@H](NCC(=O)N1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000515345959 373783231 /nfs/dbraw/zinc/78/32/31/373783231.db2.gz COMMCTWDRVQZHO-NEPJUHHUSA-N 2 0 254.378 -0.462 20 0 CBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000515659028 373793313 /nfs/dbraw/zinc/79/33/13/373793313.db2.gz ANWUAZPBJGUNHI-YPMHNXCESA-N 2 0 257.378 -0.066 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC[NH+](C)C1CC1 ZINC000524299527 373882178 /nfs/dbraw/zinc/88/21/78/373882178.db2.gz UKGKRGLHIYMHBX-CYBMUJFWSA-N 2 0 283.420 -0.374 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000521646642 373848607 /nfs/dbraw/zinc/84/86/07/373848607.db2.gz WZZJOPWYBSIDBN-BJDJZHNGSA-N 2 0 280.372 -0.855 20 0 CBADRP CC(C)(CC[NH3+])NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000521878023 373850673 /nfs/dbraw/zinc/85/06/73/373850673.db2.gz KUTQNVCNJCKCOJ-JTQLQIEISA-N 2 0 270.377 -0.512 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000522138412 373860271 /nfs/dbraw/zinc/86/02/71/373860271.db2.gz FNCGCBVNXHTEDG-RYUDHWBXSA-N 2 0 254.378 -0.700 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000522144821 373860714 /nfs/dbraw/zinc/86/07/14/373860714.db2.gz OWMLDNUNRSBGJI-LBPRGKRZSA-N 2 0 254.378 -0.698 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000522102670 373862677 /nfs/dbraw/zinc/86/26/77/373862677.db2.gz RJPGIHHWAWBYHK-KGLIPLIRSA-N 2 0 297.447 -0.127 20 0 CBADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCO)O1 ZINC000527553263 373925624 /nfs/dbraw/zinc/92/56/24/373925624.db2.gz JTQBSZWFROETFJ-MGPQQGTHSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[NH+]1CCC(NC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529285253 373997697 /nfs/dbraw/zinc/99/76/97/373997697.db2.gz VMMKMYROVDSEKJ-LBPRGKRZSA-N 2 0 270.377 -0.242 20 0 CBADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@H]1COCC[NH2+]1 ZINC000529292772 373997747 /nfs/dbraw/zinc/99/77/47/373997747.db2.gz VKDWYXCQTXAPOM-RYUDHWBXSA-N 2 0 282.388 -0.242 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000529297269 374000306 /nfs/dbraw/zinc/00/03/06/374000306.db2.gz HWNCBEVPGCCXQM-UPJWGTAASA-N 2 0 282.388 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529297380 374000347 /nfs/dbraw/zinc/00/03/47/374000347.db2.gz DPHAKALIWXRIJC-WDEREUQCSA-N 2 0 256.350 -0.632 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]C1)NC[C@H]1COCC[NH2+]1 ZINC000529334092 374004417 /nfs/dbraw/zinc/00/44/17/374004417.db2.gz UHXOMMFNNGAACW-QWRGUYRKSA-N 2 0 256.350 -0.726 20 0 CBADRP C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000529332543 374004434 /nfs/dbraw/zinc/00/44/34/374004434.db2.gz NHWCATPQAIZDOR-QJPTWQEYSA-N 2 0 270.377 -0.338 20 0 CBADRP O=C(CNC(=O)N[C@H]1CC[NH2+]C12CCC2)N1CC[NH2+]CC1 ZINC000529331357 374005084 /nfs/dbraw/zinc/00/50/84/374005084.db2.gz VFITWMQOHPPVMT-NSHDSACASA-N 2 0 295.387 -0.998 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000529341662 374006768 /nfs/dbraw/zinc/00/67/68/374006768.db2.gz KBKWWWWMBDRVAS-UMSGYPCISA-N 2 0 282.388 -0.338 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529341632 374007187 /nfs/dbraw/zinc/00/71/87/374007187.db2.gz JXOQSTGPYBQFTP-RYUDHWBXSA-N 2 0 282.388 -0.051 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CCC[NH2+]CC1 ZINC000529342586 374009154 /nfs/dbraw/zinc/00/91/54/374009154.db2.gz UXNJHCHRIZBPJF-GHMZBOCLSA-N 2 0 256.350 -0.584 20 0 CBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000529346328 374009220 /nfs/dbraw/zinc/00/92/20/374009220.db2.gz ZGMGWKRLIUAWKO-NEPJUHHUSA-N 2 0 270.377 -0.386 20 0 CBADRP CN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@H]1C[NH2+]C[C@@H]1O ZINC000529352005 374010076 /nfs/dbraw/zinc/01/00/76/374010076.db2.gz VAIVUDDBAOVCRE-GARJFASQSA-N 2 0 268.361 -0.755 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529372773 374012268 /nfs/dbraw/zinc/01/22/68/374012268.db2.gz HPTAVNIGVWQDPW-LBPRGKRZSA-N 2 0 270.377 -0.290 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)C[C@H]1[NH+](C)C ZINC000529376421 374016613 /nfs/dbraw/zinc/01/66/13/374016613.db2.gz QTAUJGAEFTUEPX-IJLUTSLNSA-N 2 0 270.377 -0.434 20 0 CBADRP C[N@H+]1CC=C(CNC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529376579 374017189 /nfs/dbraw/zinc/01/71/89/374017189.db2.gz NQRABLOFDQESOX-GFCCVEGCSA-N 2 0 268.361 -0.464 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000529375834 374017310 /nfs/dbraw/zinc/01/73/10/374017310.db2.gz ACNHVWLAHAWCEF-SDDRHHMPSA-N 2 0 268.361 -0.774 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529376813 374017763 /nfs/dbraw/zinc/01/77/63/374017763.db2.gz OOBQUIJTEBZNFG-LBPRGKRZSA-N 2 0 270.377 -0.288 20 0 CBADRP CC(C)C[NH+]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529376535 374018340 /nfs/dbraw/zinc/01/83/40/374018340.db2.gz VPTQXYLAFWTQEQ-ZDUSSCGKSA-N 2 0 284.404 -0.042 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529380336 374019349 /nfs/dbraw/zinc/01/93/49/374019349.db2.gz UVQJLOCINSHDOV-VXGBXAGGSA-N 2 0 270.377 -0.432 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)[C@@H]2C1 ZINC000529377970 374020120 /nfs/dbraw/zinc/02/01/20/374020120.db2.gz RXFGXUZLWJFNMN-JHJVBQTASA-N 2 0 282.388 -0.290 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000529384624 374024282 /nfs/dbraw/zinc/02/42/82/374024282.db2.gz DFHRPPZBOXPYQK-WOPDTQHZSA-N 2 0 268.361 -0.489 20 0 CBADRP CC(C)[C@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC000529381083 374022172 /nfs/dbraw/zinc/02/21/72/374022172.db2.gz XFNPHXOHOVKGIL-QWHCGFSZSA-N 2 0 284.404 -0.044 20 0 CBADRP CC(C)[C@@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC000529381084 374022300 /nfs/dbraw/zinc/02/23/00/374022300.db2.gz XFNPHXOHOVKGIL-STQMWFEESA-N 2 0 284.404 -0.044 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[NH+](C2CCC2)CC1 ZINC000529383328 374022371 /nfs/dbraw/zinc/02/23/71/374022371.db2.gz WJOWJTRFGUKGCL-GFCCVEGCSA-N 2 0 282.388 -0.146 20 0 CBADRP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239336 374068758 /nfs/dbraw/zinc/06/87/58/374068758.db2.gz RYCMYJNTFMMVRR-JQWIXIFHSA-N 2 0 298.387 -0.340 20 0 CBADRP Cn1cc(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000531357530 374131895 /nfs/dbraw/zinc/13/18/95/374131895.db2.gz UVNWDXUKFIZSGI-UHFFFAOYSA-N 2 0 295.387 -0.445 20 0 CBADRP Cc1c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nnn1C ZINC000530642128 374091776 /nfs/dbraw/zinc/09/17/76/374091776.db2.gz QNPKXUIRCZCNFD-UHFFFAOYSA-N 2 0 282.392 -0.311 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1cn(CCC[NH3+])nn1 ZINC000563704916 374322970 /nfs/dbraw/zinc/32/29/70/374322970.db2.gz BEKUYXBKNHWFRS-VHSXEESVSA-N 2 0 266.349 -0.551 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC[NH2+]C1 ZINC000583262912 374357198 /nfs/dbraw/zinc/35/71/98/374357198.db2.gz UYEHQAIWQYDPMA-MWLCHTKSSA-N 2 0 277.315 -0.274 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000583264196 374359826 /nfs/dbraw/zinc/35/98/26/374359826.db2.gz GOQOLLZBQOMIKC-RKDXNWHRSA-N 2 0 259.350 -0.244 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000583747869 374365457 /nfs/dbraw/zinc/36/54/57/374365457.db2.gz IBABEAQPGQEEDI-CHWSQXEVSA-N 2 0 259.394 -0.533 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000583753370 374365824 /nfs/dbraw/zinc/36/58/24/374365824.db2.gz XMCIJFBIJVQGTN-SDDRHHMPSA-N 2 0 296.415 -0.171 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H](C)CCC[NH3+])CC1 ZINC000584472579 374375101 /nfs/dbraw/zinc/37/51/01/374375101.db2.gz VJIYCBZXTDAHPD-LBPRGKRZSA-N 2 0 256.394 -0.133 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000578069539 374351291 /nfs/dbraw/zinc/35/12/91/374351291.db2.gz IBUXUORHQWSAST-UTUOFQBUSA-N 2 0 255.362 -0.001 20 0 CBADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cnn1C ZINC000643771867 374410384 /nfs/dbraw/zinc/41/03/84/374410384.db2.gz CGNQELWLMNWIRT-GHYVTOPFSA-N 2 0 291.399 -0.020 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NC[C@H]2CCCC[NH2+]2)nn1 ZINC000644080292 374485780 /nfs/dbraw/zinc/48/57/80/374485780.db2.gz HDJWFVJXCGIFTH-SNVBAGLBSA-N 2 0 266.349 -0.501 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000644135829 374492561 /nfs/dbraw/zinc/49/25/61/374492561.db2.gz GNJLPLXZNGPLKC-DDHJBXDOSA-N 2 0 255.362 -0.003 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N[C@H]1CC12CC[NH2+]CC2 ZINC000644145982 374493194 /nfs/dbraw/zinc/49/31/94/374493194.db2.gz XFLCFRZNJJOANI-NSHDSACASA-N 2 0 253.346 -0.377 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC000644144762 374493969 /nfs/dbraw/zinc/49/39/69/374493969.db2.gz LZMVXLXLYWAHTB-RISCZKNCSA-N 2 0 267.373 -0.129 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1C[NH2+]CCC1(F)F ZINC000644161136 374496935 /nfs/dbraw/zinc/49/69/35/374496935.db2.gz QKVQTTMSLMYOFK-DTWKUNHWSA-N 2 0 263.288 -0.664 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H](O)CC(C)(C)C)CC1 ZINC000574519342 335026255 /nfs/dbraw/zinc/02/62/55/335026255.db2.gz ONKCIGMRHYBKBN-ZIAGYGMSSA-N 2 0 287.448 -0.019 20 0 CBADRP CCOCCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000644512754 374588741 /nfs/dbraw/zinc/58/87/41/374588741.db2.gz LJWIHYSDJDRXFF-CYBMUJFWSA-N 2 0 259.394 -0.389 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC[C@H](O)C[NH+](C)C2CC2)C1 ZINC000644554024 374592391 /nfs/dbraw/zinc/59/23/91/374592391.db2.gz FMYCYTITOFWGIG-OCCSQVGLSA-N 2 0 271.405 -0.248 20 0 CBADRP CN1CCC[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000644547947 374593164 /nfs/dbraw/zinc/59/31/64/374593164.db2.gz HRJQNTBDOPJFJU-ZIAGYGMSSA-N 2 0 270.421 -0.722 20 0 CBADRP C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000644562917 374595381 /nfs/dbraw/zinc/59/53/81/374595381.db2.gz IHFGZMRMKNRBKF-ZBFHGGJFSA-N 3 0 298.475 -0.085 20 0 CBADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]CCC(N)=O)C2)CC1 ZINC000644561942 374595405 /nfs/dbraw/zinc/59/54/05/374595405.db2.gz JYWBYVZBPCAAPB-LLVKDONJSA-N 2 0 254.378 -0.380 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)CC(C)(C)[NH3+] ZINC000645134365 374645362 /nfs/dbraw/zinc/64/53/62/374645362.db2.gz DRNUMXQQIXYPQW-UHFFFAOYSA-N 2 0 256.350 -0.996 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)C[C@@H]2C[NH2+]CCO2)cn1 ZINC000645803352 374700226 /nfs/dbraw/zinc/70/02/26/374700226.db2.gz SRNPVEVMXOVMCE-GFCCVEGCSA-N 2 0 281.360 -0.238 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC000645685023 374692150 /nfs/dbraw/zinc/69/21/50/374692150.db2.gz QZDWNIXBFGVCPR-NSHDSACASA-N 2 0 280.376 -0.159 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000645684677 374692206 /nfs/dbraw/zinc/69/22/06/374692206.db2.gz DGWFTLKNJORMQV-WDEREUQCSA-N 2 0 268.361 -0.935 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000645685113 374692545 /nfs/dbraw/zinc/69/25/45/374692545.db2.gz VKPWEEUGIWVFRY-NEPJUHHUSA-N 2 0 292.387 -0.146 20 0 CBADRP COC1CC[NH+](CCNC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000646181071 374751230 /nfs/dbraw/zinc/75/12/30/374751230.db2.gz SZICJYKGVGLMCQ-LBPRGKRZSA-N 2 0 285.388 -0.408 20 0 CBADRP C[NH+](C)C1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000574533419 335027918 /nfs/dbraw/zinc/02/79/18/335027918.db2.gz IRQOMWDLRFPPMW-CXQJBGSLSA-N 2 0 282.388 -0.547 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000645869899 374710262 /nfs/dbraw/zinc/71/02/62/374710262.db2.gz ZJWTUMCLLRCANC-NWDGAFQWSA-N 2 0 296.415 -0.312 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953291 374716691 /nfs/dbraw/zinc/71/66/91/374716691.db2.gz OAXXBVMMDODZJA-RYUDHWBXSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953367 374716970 /nfs/dbraw/zinc/71/69/70/374716970.db2.gz RCXNFJCNHDCNME-OLZOCXBDSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)nn1 ZINC000645953449 374717007 /nfs/dbraw/zinc/71/70/07/374717007.db2.gz UNLSQHXJVCWSOC-LBPRGKRZSA-N 2 0 292.387 -0.159 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000645966029 374720359 /nfs/dbraw/zinc/72/03/59/374720359.db2.gz PSYGAWUUCHFSJR-SOUVJXGZSA-N 2 0 294.443 -0.016 20 0 CBADRP C[NH2+]CCC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645977494 374720767 /nfs/dbraw/zinc/72/07/67/374720767.db2.gz CYUQIMADFFRENG-GFCCVEGCSA-N 3 0 268.405 -0.119 20 0 CBADRP COCC[NH2+]CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000645978114 374721445 /nfs/dbraw/zinc/72/14/45/374721445.db2.gz SEPFVSBMSBJIKZ-ZDUSSCGKSA-N 3 0 298.431 -0.493 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009546 374726512 /nfs/dbraw/zinc/72/65/12/374726512.db2.gz QQHFCXXCKJCPEO-ZIAGYGMSSA-N 2 0 298.431 -0.508 20 0 CBADRP CC(C)(C[NH3+])C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009337 374726899 /nfs/dbraw/zinc/72/68/99/374726899.db2.gz BEHRCSSFBXSJAD-CYBMUJFWSA-N 2 0 298.431 -0.506 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009371 374727068 /nfs/dbraw/zinc/72/70/68/374727068.db2.gz FSHFTHSETODBAM-KBPBESRZSA-N 2 0 298.431 -0.635 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000646012145 374727182 /nfs/dbraw/zinc/72/71/82/374727182.db2.gz GZSRRRNSSJLSLL-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)N1CC[NH+](C)CC1 ZINC000646027036 374731641 /nfs/dbraw/zinc/73/16/41/374731641.db2.gz XSUJFYTXTZIMSO-VXGBXAGGSA-N 2 0 268.405 -0.264 20 0 CBADRP CC(=O)NCC[NH+](C)C/C=C\C[N@H+](C)CCNC(C)=O ZINC000646047161 374734995 /nfs/dbraw/zinc/73/49/95/374734995.db2.gz IBKJXJGXCRYERS-WAYWQWQTSA-N 2 0 284.404 -0.322 20 0 CBADRP COC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1OC ZINC000646600303 374794198 /nfs/dbraw/zinc/79/41/98/374794198.db2.gz IHVAHNZKXYUPAY-MNOVXSKESA-N 2 0 267.329 -0.215 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000646637941 374798471 /nfs/dbraw/zinc/79/84/71/374798471.db2.gz GJDZHEKFFIXTTM-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CCCC[NH2+]1 ZINC000646649508 374799396 /nfs/dbraw/zinc/79/93/96/374799396.db2.gz ITCAVUNQIDNQGC-NEPJUHHUSA-N 2 0 282.388 -0.497 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CCCC[NH2+]1 ZINC000646649511 374799436 /nfs/dbraw/zinc/79/94/36/374799436.db2.gz ITCAVUNQIDNQGC-VXGBXAGGSA-N 2 0 282.388 -0.497 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CCCC[NH2+]1 ZINC000646649837 374799870 /nfs/dbraw/zinc/79/98/70/374799870.db2.gz YLVIYKTXCYYFIZ-WDEREUQCSA-N 2 0 268.361 -0.887 20 0 CBADRP O=C(NCC[NH2+]C1CC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000646685997 374804520 /nfs/dbraw/zinc/80/45/20/374804520.db2.gz KHVMZBGUAFRWTP-NSHDSACASA-N 2 0 278.360 -0.488 20 0 CBADRP O=C(NCC[NH2+]C1CC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000646685996 374804945 /nfs/dbraw/zinc/80/49/45/374804945.db2.gz KHVMZBGUAFRWTP-LLVKDONJSA-N 2 0 278.360 -0.488 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC[NH2+]C1CC1 ZINC000646687286 374805332 /nfs/dbraw/zinc/80/53/32/374805332.db2.gz UKWNGBXTCDYGNS-NSHDSACASA-N 2 0 268.361 -0.887 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000646803767 374816986 /nfs/dbraw/zinc/81/69/86/374816986.db2.gz PFSACXNKGHGCKD-VIFPVBQESA-N 2 0 279.348 -0.705 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CCO1 ZINC000646844736 374825225 /nfs/dbraw/zinc/82/52/25/374825225.db2.gz ZRPHRWFNNAABCW-SRVKXCTJSA-N 2 0 267.373 -0.049 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(C)(C)N2CC[NH2+]CC2)CCO1 ZINC000646844027 374825270 /nfs/dbraw/zinc/82/52/70/374825270.db2.gz NXIAOELINUFKFR-NEPJUHHUSA-N 2 0 284.404 -0.755 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)CC[C@H]2CC[NH2+]C2)CCO1 ZINC000646844482 374825988 /nfs/dbraw/zinc/82/59/88/374825988.db2.gz VCURCLRQBVMVJO-SRVKXCTJSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000646844520 374826054 /nfs/dbraw/zinc/82/60/54/374826054.db2.gz VQMBLMLXCLLCLU-BJDJZHNGSA-N 2 0 255.362 -0.051 20 0 CBADRP COC[C@]1(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC[NH2+]C1 ZINC000646851252 374827266 /nfs/dbraw/zinc/82/72/66/374827266.db2.gz RGGBSRZWPSCQSX-LOWVWBTDSA-N 2 0 271.361 -0.813 20 0 CBADRP CC(C)([NH3+])CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000646351271 374772420 /nfs/dbraw/zinc/77/24/20/374772420.db2.gz IAVAMPQCKNKRKP-NSHDSACASA-N 2 0 254.378 -0.380 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000646351306 374772551 /nfs/dbraw/zinc/77/25/51/374772551.db2.gz JJQMTWXOEMLMIZ-VXGBXAGGSA-N 2 0 266.389 -0.510 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000646363888 374773581 /nfs/dbraw/zinc/77/35/81/374773581.db2.gz KCRCKGYLJKRKNX-NWDGAFQWSA-N 2 0 266.389 -0.510 20 0 CBADRP CCC[NH2+][C@@H](C)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000646363762 374773995 /nfs/dbraw/zinc/77/39/95/374773995.db2.gz LXMOFCDUIKRWCX-STQMWFEESA-N 2 0 268.405 -0.119 20 0 CBADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000646363883 374774211 /nfs/dbraw/zinc/77/42/11/374774211.db2.gz JKRCWFDIXNOKTI-KCQAQPDRSA-N 2 0 278.400 -0.508 20 0 CBADRP C[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000646408240 374776451 /nfs/dbraw/zinc/77/64/51/374776451.db2.gz VSVOZVMSNPQVGT-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)C1CC1 ZINC000646424103 374778408 /nfs/dbraw/zinc/77/84/08/374778408.db2.gz ATOZYSFOPCZUGO-GFCCVEGCSA-N 2 0 280.376 -0.303 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000646575786 374791076 /nfs/dbraw/zinc/79/10/76/374791076.db2.gz ZYPVDVZQFVDWJJ-NSHDSACASA-N 2 0 254.378 -0.604 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647055338 374876389 /nfs/dbraw/zinc/87/63/89/374876389.db2.gz VSMRXDSXQROOIV-NWDGAFQWSA-N 2 0 294.399 -0.497 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000647075780 374879640 /nfs/dbraw/zinc/87/96/40/374879640.db2.gz NNJJKZHQJLOUNJ-RKDXNWHRSA-N 2 0 263.288 -0.522 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000647080758 374880862 /nfs/dbraw/zinc/88/08/62/374880862.db2.gz KJGYMPXIAQZPAG-KBPBESRZSA-N 2 0 294.374 -0.112 20 0 CBADRP CC(C)(C(=O)N[C@H]1CC[C@H](C[NH3+])C1)N1CC[NH2+]CC1 ZINC000647082842 374882677 /nfs/dbraw/zinc/88/26/77/374882677.db2.gz NUYKDXRTVHQLLU-RYUDHWBXSA-N 2 0 268.405 -0.086 20 0 CBADRP CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@H](C[NH3+])C1CC1 ZINC000647085480 374883760 /nfs/dbraw/zinc/88/37/60/374883760.db2.gz DGBRWUYPCVHFJV-NWDGAFQWSA-N 2 0 282.388 -0.560 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000647086621 374884217 /nfs/dbraw/zinc/88/42/17/374884217.db2.gz MUCKEFBJZJIYDN-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000646918528 374841577 /nfs/dbraw/zinc/84/15/77/374841577.db2.gz YIOFQLCOINWEDO-MELADBBJSA-N 2 0 278.400 -0.461 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)CCO1 ZINC000646972132 374853868 /nfs/dbraw/zinc/85/38/68/374853868.db2.gz LZNACGSZBZJIBY-NXEZZACHSA-N 2 0 259.375 -0.732 20 0 CBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCO[C@H](C[NH3+])C2)C1(C)C ZINC000646972394 374854248 /nfs/dbraw/zinc/85/42/48/374854248.db2.gz VLJYLAMVHSWOKO-GYSYKLTISA-N 2 0 285.388 -0.295 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)CCO1 ZINC000646972135 374854447 /nfs/dbraw/zinc/85/44/47/374854447.db2.gz LZNACGSZBZJIBY-ZJUUUORDSA-N 2 0 259.375 -0.732 20 0 CBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCO[C@@H](C[NH3+])C2)C1(C)C ZINC000646972396 374854887 /nfs/dbraw/zinc/85/48/87/374854887.db2.gz VLJYLAMVHSWOKO-MISXGVKJSA-N 2 0 285.388 -0.295 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000646996731 374857200 /nfs/dbraw/zinc/85/72/00/374857200.db2.gz VRWAKMPUIHSCJS-WZRBSPASSA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CCC[NH2+]CC1 ZINC000646988228 374857294 /nfs/dbraw/zinc/85/72/94/374857294.db2.gz JTXLHLLBIARKDR-WDEREUQCSA-N 2 0 268.361 -0.887 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000646997986 374857669 /nfs/dbraw/zinc/85/76/69/374857669.db2.gz AFZDRCMPTGPKFO-MXWKQRLJSA-N 2 0 268.361 -0.759 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000646998020 374858985 /nfs/dbraw/zinc/85/89/85/374858985.db2.gz CJZNRQKVAXGZFD-WOPDTQHZSA-N 2 0 282.388 -0.369 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000646998017 374859164 /nfs/dbraw/zinc/85/91/64/374859164.db2.gz CJZNRQKVAXGZFD-GRYCIOLGSA-N 2 0 282.388 -0.369 20 0 CBADRP CC[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000647014935 374860518 /nfs/dbraw/zinc/86/05/18/374860518.db2.gz CZDNKYYNLJKWOH-WOPDTQHZSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000647020924 374862055 /nfs/dbraw/zinc/86/20/55/374862055.db2.gz RMRYTXIZDLZJFA-MWLCHTKSSA-N 2 0 251.334 -0.115 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000574569735 335030304 /nfs/dbraw/zinc/03/03/04/335030304.db2.gz ZVNIFKQMBDFPKH-HOSYDEDBSA-N 2 0 258.366 -0.522 20 0 CBADRP CCCC[C@H](C[NH3+])NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000574584331 335032009 /nfs/dbraw/zinc/03/20/09/335032009.db2.gz FWAXYHDULXIWTM-IJLUTSLNSA-N 2 0 297.403 -0.543 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574639018 335036198 /nfs/dbraw/zinc/03/61/98/335036198.db2.gz QIJIMVJJQRFRKV-RISCZKNCSA-N 2 0 283.372 -0.131 20 0 CBADRP C[C@@H]1[C@H](C)N(C(=O)[C@H]2C[NH+]3CCN2CCC3)CC[N@H+]1C ZINC000356873176 248297195 /nfs/dbraw/zinc/29/71/95/248297195.db2.gz GHTXGUMVGPGQHQ-HZSPNIEDSA-N 2 0 280.416 -0.073 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](C)C[NH3+])CC1 ZINC000357229896 248336641 /nfs/dbraw/zinc/33/66/41/248336641.db2.gz WHIJOWCRNWPARA-NWDGAFQWSA-N 2 0 256.394 -0.277 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C[C@@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000357171355 248329844 /nfs/dbraw/zinc/32/98/44/248329844.db2.gz FOEQZWDXNRQKSC-HZSPNIEDSA-N 2 0 299.415 -0.020 20 0 CBADRP COC[C@H]([NH3+])C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000357176243 248332005 /nfs/dbraw/zinc/33/20/05/248332005.db2.gz NEWMMCQZPXKSNT-UPJWGTAASA-N 2 0 287.404 -0.034 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]([NH3+])COC ZINC000357228155 248333558 /nfs/dbraw/zinc/33/35/58/248333558.db2.gz SJICDPVCHLEVHK-MNOVXSKESA-N 2 0 261.366 -0.567 20 0 CBADRP C[NH2+]CCC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000357248591 248340955 /nfs/dbraw/zinc/34/09/55/248340955.db2.gz QYMKVUSKXQZMNB-UHFFFAOYSA-N 2 0 282.388 -0.638 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000357297190 248347942 /nfs/dbraw/zinc/34/79/42/248347942.db2.gz APQBBABTRQAZNC-HNCHTBHHSA-N 2 0 282.388 -0.643 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC1 ZINC000360019601 248590956 /nfs/dbraw/zinc/59/09/56/248590956.db2.gz ZQPRCPYJAVXUTO-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@]1(C(=O)NCCCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000362163741 248657593 /nfs/dbraw/zinc/65/75/93/248657593.db2.gz UDZHFKMBJHFTLH-AWEZNQCLSA-N 2 0 268.405 -0.212 20 0 CBADRP [NH3+]C[C@H](NC(=O)[C@H]1C[C@H](O)C[NH2+]1)C1CCCCC1 ZINC000369762679 248784980 /nfs/dbraw/zinc/78/49/80/248784980.db2.gz ZCNNIUOFDBKSBG-TUAOUCFPSA-N 2 0 255.362 -0.267 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419741748 284627589 /nfs/dbraw/zinc/62/75/89/284627589.db2.gz ZKTNNNYEBNTLJJ-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419732941 284627129 /nfs/dbraw/zinc/62/71/29/284627129.db2.gz NFFDCZMIJYFGLI-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653131346 412884996 /nfs/dbraw/zinc/88/49/96/412884996.db2.gz GTTLDJYBYIKFEV-XZUYRWCXSA-N 2 0 253.346 -0.663 20 0 CBADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653126946 412885149 /nfs/dbraw/zinc/88/51/49/412885149.db2.gz QCCXYBFZPDPTOQ-NOHGZBONSA-N 2 0 253.346 -0.582 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000418954727 284702234 /nfs/dbraw/zinc/70/22/34/284702234.db2.gz XMUKQJXRXVZFTR-RYUDHWBXSA-N 2 0 286.420 -0.195 20 0 CBADRP C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000347242406 218165224 /nfs/dbraw/zinc/16/52/24/218165224.db2.gz UHEBZEZFTMSQRB-CHWSQXEVSA-N 2 0 269.389 -0.004 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000347376686 218212419 /nfs/dbraw/zinc/21/24/19/218212419.db2.gz URASQTQWCVQHQR-GFCCVEGCSA-N 2 0 284.404 -0.164 20 0 CBADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000350998405 284755938 /nfs/dbraw/zinc/75/59/38/284755938.db2.gz NFOOHHWGNDPWIM-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP C[C@@H]1CC2(CN1C(=O)[C@H]1C[NH2+]CCO1)CC[NH2+]CC2 ZINC000424223054 296294307 /nfs/dbraw/zinc/29/43/07/296294307.db2.gz KQPKPOHBWLPPMN-VXGBXAGGSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H]1CC2(C[N@@H+]1CCNS(C)(=O)=O)CC[NH2+]CC2 ZINC000331698113 296294429 /nfs/dbraw/zinc/29/44/29/296294429.db2.gz VEZMZOHHEDBWAG-LLVKDONJSA-N 2 0 275.418 0.000 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)C[NH3+])CC1=O ZINC000347659305 218309450 /nfs/dbraw/zinc/30/94/50/218309450.db2.gz UVXSUNUSQHYTGD-JHJVBQTASA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H](C[NH3+])NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000347659954 218311884 /nfs/dbraw/zinc/31/18/84/218311884.db2.gz DFLNSEWRNIARPH-LLVKDONJSA-N 2 0 277.372 -0.090 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000347668634 218312546 /nfs/dbraw/zinc/31/25/46/218312546.db2.gz DRNCOTUCQPQDAA-ZDUSSCGKSA-N 2 0 287.404 -0.351 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000419780904 284793740 /nfs/dbraw/zinc/79/37/40/284793740.db2.gz NHRQGQHBVRVDHQ-XQQFMLRXSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000574754644 335044911 /nfs/dbraw/zinc/04/49/11/335044911.db2.gz GQIUNIARKVCXPI-DCAQKATOSA-N 2 0 257.382 -0.685 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418751464 284881087 /nfs/dbraw/zinc/88/10/87/284881087.db2.gz AMQJIWXRBYDOJT-CYBMUJFWSA-N 2 0 285.436 -0.127 20 0 CBADRP C[C@@H](O)CN1CCN(C(=O)C(C)(C)C[NH3+])C[C@H]1C ZINC000167983733 207397589 /nfs/dbraw/zinc/39/75/89/207397589.db2.gz AGBBOEAVOGSUEY-GHMZBOCLSA-N 2 0 257.378 -0.115 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000178994233 207427989 /nfs/dbraw/zinc/42/79/89/207427989.db2.gz SHEFWNOLZOTCOX-QWHCGFSZSA-N 2 0 296.415 -0.536 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)NC[C@H]2C[NH2+]CCO2)CCC[N@@H+]1C ZINC000417993250 207567794 /nfs/dbraw/zinc/56/77/94/207567794.db2.gz AFOBPBGXJCBEKI-UTUOFQBUSA-N 2 0 270.377 -0.243 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000418636486 207598759 /nfs/dbraw/zinc/59/87/59/207598759.db2.gz HLTRESZHOGCKRS-CHWSQXEVSA-N 2 0 286.420 -0.014 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)NCCCN1CC[NH2+]CC1 ZINC000418285248 207574749 /nfs/dbraw/zinc/57/47/49/207574749.db2.gz FIXJLNZORNTPRC-CYBMUJFWSA-N 2 0 285.436 -0.046 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000418292828 207575056 /nfs/dbraw/zinc/57/50/56/207575056.db2.gz DNIGUTVRSLPNAX-NWDGAFQWSA-N 2 0 269.393 -0.811 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000418364321 207579033 /nfs/dbraw/zinc/57/90/33/207579033.db2.gz NVRQIQHSSIZZFT-LBPRGKRZSA-N 2 0 286.420 -0.060 20 0 CBADRP COC[C@]1(CNC(=O)NC[C@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000418380314 207581982 /nfs/dbraw/zinc/58/19/82/207581982.db2.gz WUOZVAPFJGYEMU-DGCLKSJQSA-N 2 0 270.377 -0.194 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000418424878 207584811 /nfs/dbraw/zinc/58/48/11/207584811.db2.gz IIDCLUPXZFXBGQ-YPMHNXCESA-N 2 0 274.409 -0.028 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000418556344 207595279 /nfs/dbraw/zinc/59/52/79/207595279.db2.gz FIZAVYBYCPSNMU-MDZLAQPJSA-N 2 0 272.393 -0.404 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418825504 207611182 /nfs/dbraw/zinc/61/11/82/207611182.db2.gz BPVHPCPGMILFBA-LLVKDONJSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418932235 207620894 /nfs/dbraw/zinc/62/08/94/207620894.db2.gz HQHWWZOMYQQNJC-RWMBFGLXSA-N 2 0 298.431 -0.053 20 0 CBADRP O=C(NCCC[NH+]1CCCCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419007665 207632515 /nfs/dbraw/zinc/63/25/15/207632515.db2.gz UTJBDRQFHIHXGZ-GFCCVEGCSA-N 2 0 282.388 -0.543 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000376720978 532977986 /nfs/dbraw/zinc/97/79/86/532977986.db2.gz OUQCVPNLKLMDNT-ZYHUDNBSSA-N 2 0 259.325 -0.475 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000419136745 207649593 /nfs/dbraw/zinc/64/95/93/207649593.db2.gz OAQVQAZRJZXJQB-JHJVBQTASA-N 2 0 296.415 -0.075 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(CCOC)CC[NH2+]C2)C1 ZINC000376720042 532983745 /nfs/dbraw/zinc/98/37/45/532983745.db2.gz KEQKDVLOSLPJNM-DZGCQCFKSA-N 2 0 299.415 -0.161 20 0 CBADRP C[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C(C)(C)C[NH+](C)C ZINC000419548853 207707200 /nfs/dbraw/zinc/70/72/00/207707200.db2.gz RYRIEWZROOHTJF-JTQLQIEISA-N 2 0 286.420 -0.068 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000419561053 207708171 /nfs/dbraw/zinc/70/81/71/207708171.db2.gz RWHXITCQIKSEQM-QJPTWQEYSA-N 2 0 282.388 -0.594 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000419690131 207721615 /nfs/dbraw/zinc/72/16/15/207721615.db2.gz BLTDGJBFEAFCLM-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)C[NH+]1CCCC1 ZINC000419837592 207742752 /nfs/dbraw/zinc/74/27/52/207742752.db2.gz WRYKFZHWSWAFIC-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000419902978 207758470 /nfs/dbraw/zinc/75/84/70/207758470.db2.gz WLAPFIFGOPTOKR-UHFFFAOYSA-N 2 0 286.420 -0.101 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000420144328 207793916 /nfs/dbraw/zinc/79/39/16/207793916.db2.gz MWHFSDJWOWZNTH-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)C[C@@H]1CCCCO1 ZINC000420462608 207822677 /nfs/dbraw/zinc/82/26/77/207822677.db2.gz VRBDLKCDXLYRJQ-LBPRGKRZSA-N 2 0 293.433 -0.115 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)CC[NH2+]C)C1 ZINC000423061709 207872438 /nfs/dbraw/zinc/87/24/38/207872438.db2.gz RJYUEVWGGPICIY-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000423431074 207897910 /nfs/dbraw/zinc/89/79/10/207897910.db2.gz NJTODSPITPBGHC-GFCCVEGCSA-N 2 0 268.405 -0.262 20 0 CBADRP CN(C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)C1CC([NH3+])C1 ZINC000424163432 207962186 /nfs/dbraw/zinc/96/21/86/207962186.db2.gz DUDPZGUKUGCCOM-YVNMAJEFSA-N 2 0 278.360 -0.236 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424169999 207964697 /nfs/dbraw/zinc/96/46/97/207964697.db2.gz KAICWALTQPXDKB-LPEHRKFASA-N 2 0 266.349 -0.332 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000424216510 207975856 /nfs/dbraw/zinc/97/58/56/207975856.db2.gz IKDKPRPXYGODCA-MXWKQRLJSA-N 2 0 268.361 -0.759 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000427600249 208064886 /nfs/dbraw/zinc/06/48/86/208064886.db2.gz FHVJHBIUEGCYDJ-QWHCGFSZSA-N 2 0 268.405 -0.262 20 0 CBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428189153 208080769 /nfs/dbraw/zinc/08/07/69/208080769.db2.gz BDUTUDOEGUDHTJ-PWSUYJOCSA-N 2 0 270.377 -0.750 20 0 CBADRP CCC[C@@](C)([NH3+])C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428184474 208080982 /nfs/dbraw/zinc/08/09/82/208080982.db2.gz MZEQNGPBQUDUFJ-CYBMUJFWSA-N 2 0 270.377 -0.606 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000428367382 208086157 /nfs/dbraw/zinc/08/61/57/208086157.db2.gz QPORLDSWOHVMDB-GFCCVEGCSA-N 2 0 254.378 -0.426 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)C[C@H](C)[NH2+]1 ZINC000429401828 208122644 /nfs/dbraw/zinc/12/26/44/208122644.db2.gz GJWPRVTWUUZURM-GRYCIOLGSA-N 2 0 255.362 -0.036 20 0 CBADRP COC(=O)[C@H]1CN(CCC(=O)N2CCN(C)CC2)CCO1 ZINC000429678068 208129561 /nfs/dbraw/zinc/12/95/61/208129561.db2.gz MOYAXARSVMQEPJ-GFCCVEGCSA-N 2 0 299.371 -0.976 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377807889 533027916 /nfs/dbraw/zinc/02/79/16/533027916.db2.gz UNVGLPYVPPYAQL-QWHCGFSZSA-N 2 0 269.389 -0.026 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000429170249 208113572 /nfs/dbraw/zinc/11/35/72/208113572.db2.gz KDGCQYCDMZMORX-LBPRGKRZSA-N 2 0 256.394 -0.277 20 0 CBADRP CNS(=O)(=O)CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430576399 208164193 /nfs/dbraw/zinc/16/41/93/208164193.db2.gz XFEPQDSMZJFYHY-MNOVXSKESA-N 2 0 263.407 -0.015 20 0 CBADRP CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430633982 208168115 /nfs/dbraw/zinc/16/81/15/208168115.db2.gz AUBZADRWOVPXBO-CYBMUJFWSA-N 2 0 296.415 -0.358 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCN2CCCC2=O)C1 ZINC000430621058 208168431 /nfs/dbraw/zinc/16/84/31/208168431.db2.gz CSYUTIZXFNBNPW-GFCCVEGCSA-N 2 0 282.388 -0.604 20 0 CBADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC1CC1 ZINC000430629900 208169129 /nfs/dbraw/zinc/16/91/29/208169129.db2.gz QWEARYKIGQRJJA-GFCCVEGCSA-N 2 0 294.399 -0.591 20 0 CBADRP CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430638161 208170321 /nfs/dbraw/zinc/17/03/21/208170321.db2.gz MTPCJNPXICVCFZ-NSHDSACASA-N 2 0 263.407 -0.061 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@@H]2CC[NH2+]C2)CCOCC1 ZINC000430703818 208171844 /nfs/dbraw/zinc/17/18/44/208171844.db2.gz HAERDMIHMQZPTC-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+](C)[C@@]1(CNC(=O)[C@@H]2C[NH2+]CCO2)CCSC1 ZINC000430681577 208173023 /nfs/dbraw/zinc/17/30/23/208173023.db2.gz CCDANHKUSOTMKF-CMPLNLGQSA-N 2 0 273.402 -0.472 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)COC1C[NH2+]C1 ZINC000430698098 208173183 /nfs/dbraw/zinc/17/31/83/208173183.db2.gz FNOFKIRRIXSJGI-UHFFFAOYSA-N 2 0 259.350 -0.941 20 0 CBADRP COCC[NH2+]CC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000237159589 285074747 /nfs/dbraw/zinc/07/47/47/285074747.db2.gz CTMPFJGLWJZGFP-CQSZACIVSA-N 2 0 299.415 -0.207 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000430711408 208174208 /nfs/dbraw/zinc/17/42/08/208174208.db2.gz FHKJAJJXPPNPBL-WCQYABFASA-N 2 0 255.362 -0.177 20 0 CBADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@H]1C[NH2+]CCO1 ZINC000430718595 208176091 /nfs/dbraw/zinc/17/60/91/208176091.db2.gz GYJSDMWILAOSBU-CYBMUJFWSA-N 2 0 297.399 -0.264 20 0 CBADRP COCC[NH2+]CC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132908357 285076007 /nfs/dbraw/zinc/07/60/07/285076007.db2.gz VBKNHXZWDMCLJG-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000430751925 208177925 /nfs/dbraw/zinc/17/79/25/208177925.db2.gz DCBOCBZZCVWKKE-LLVKDONJSA-N 2 0 257.378 -0.195 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000430793897 208181371 /nfs/dbraw/zinc/18/13/71/208181371.db2.gz NMUQYCHQIYVIGV-ZDUSSCGKSA-N 2 0 285.388 -0.597 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CC[NH+](C2CCOCC2)CC1 ZINC000430775807 208182252 /nfs/dbraw/zinc/18/22/52/208182252.db2.gz MSMURIGIHASVAN-AWEZNQCLSA-N 2 0 297.399 -0.312 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000430892063 208185949 /nfs/dbraw/zinc/18/59/49/208185949.db2.gz ZSWYHRZRMGJPMD-SRVKXCTJSA-N 2 0 282.388 -0.430 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000430893104 208187033 /nfs/dbraw/zinc/18/70/33/208187033.db2.gz CXMOHUMMEMOARV-OLZOCXBDSA-N 2 0 296.415 -0.168 20 0 CBADRP CC(C)(C[NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000430889621 208187260 /nfs/dbraw/zinc/18/72/60/208187260.db2.gz LUSIANJUHHEPPY-SNVBAGLBSA-N 2 0 270.377 -0.573 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)COC1C[NH2+]C1 ZINC000430896917 208191046 /nfs/dbraw/zinc/19/10/46/208191046.db2.gz JKMOSMFYPWGYKV-LLVKDONJSA-N 2 0 271.361 -0.798 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000430909660 208191361 /nfs/dbraw/zinc/19/13/61/208191361.db2.gz OSSFXTBZQUMNNW-CYBMUJFWSA-N 2 0 285.388 -0.408 20 0 CBADRP CNS(=O)(=O)CCC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430926588 208192512 /nfs/dbraw/zinc/19/25/12/208192512.db2.gz ONMSYUUFGDMFOW-SNVBAGLBSA-N 2 0 263.407 -0.015 20 0 CBADRP COCC[NH2+]CCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000418512671 285079171 /nfs/dbraw/zinc/07/91/71/285079171.db2.gz UGYHIBUXGKVSCV-AVGNSLFASA-N 2 0 284.404 -0.009 20 0 CBADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000430958437 208194002 /nfs/dbraw/zinc/19/40/02/208194002.db2.gz XVYUBQYPUJUIHI-SNVBAGLBSA-N 2 0 268.361 -0.996 20 0 CBADRP C[C@@H](NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1)C(=O)N(C)C ZINC000430926198 208194244 /nfs/dbraw/zinc/19/42/44/208194244.db2.gz MUFYCMYSRWOVES-WDEREUQCSA-N 2 0 284.404 -0.362 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000431002865 208194955 /nfs/dbraw/zinc/19/49/55/208194955.db2.gz CCLUYUCCHWPYCH-QWHCGFSZSA-N 2 0 268.405 -0.133 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000431005699 208197123 /nfs/dbraw/zinc/19/71/23/208197123.db2.gz NRKRMXKLUYABJD-CQSZACIVSA-N 2 0 298.431 -0.491 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000431011794 208197999 /nfs/dbraw/zinc/19/79/99/208197999.db2.gz VKUVYJZOPFROME-CQSZACIVSA-N 2 0 298.431 -0.491 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000431017348 208198374 /nfs/dbraw/zinc/19/83/74/208198374.db2.gz PUTKSEROVOFIJA-STQMWFEESA-N 2 0 287.404 -0.162 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000431022088 208199158 /nfs/dbraw/zinc/19/91/58/208199158.db2.gz METWGLNOQMEYPH-TZMCWYRMSA-N 2 0 268.405 -0.262 20 0 CBADRP C[NH2+]CCCC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000431016946 208199603 /nfs/dbraw/zinc/19/96/03/208199603.db2.gz LWXLEGDHASDDAU-CYBMUJFWSA-N 2 0 270.421 -0.014 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000431058630 208200894 /nfs/dbraw/zinc/20/08/94/208200894.db2.gz UEBIZGJFMQYPQP-LBPRGKRZSA-N 2 0 271.361 -0.798 20 0 CBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C[NH3+])c1 ZINC000431060231 208201788 /nfs/dbraw/zinc/20/17/88/208201788.db2.gz RKQAZDKOWRPICB-UHFFFAOYSA-N 2 0 278.356 -0.447 20 0 CBADRP COCC[NH+]1CCC(NC(=O)COC2C[NH2+]C2)CC1 ZINC000431049190 208202891 /nfs/dbraw/zinc/20/28/91/208202891.db2.gz NHQGSLJXPDGRRI-UHFFFAOYSA-N 2 0 271.361 -0.798 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000431053523 208203099 /nfs/dbraw/zinc/20/30/99/208203099.db2.gz OGDCBAOHIICECE-NSHDSACASA-N 2 0 253.346 -0.329 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000432515099 208226153 /nfs/dbraw/zinc/22/61/53/208226153.db2.gz ORFSUCNPHFFAGZ-SDDRHHMPSA-N 2 0 273.377 -0.818 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000434676636 208263857 /nfs/dbraw/zinc/26/38/57/208263857.db2.gz SRJCMTKZQWQWOY-VXGBXAGGSA-N 2 0 256.394 -0.134 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@H]1C ZINC000434668841 208264505 /nfs/dbraw/zinc/26/45/05/208264505.db2.gz DFPDTDGRGKBICF-SDDRHHMPSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H]([NH3+])CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000442657262 208357114 /nfs/dbraw/zinc/35/71/14/208357114.db2.gz HHBUVNMJTGIEGL-GFCCVEGCSA-N 2 0 254.378 -0.426 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C[C@H](C)[NH3+])CC1 ZINC000442643787 208357171 /nfs/dbraw/zinc/35/71/71/208357171.db2.gz ATYMFGDFEPEXBS-LBPRGKRZSA-N 2 0 256.394 -0.180 20 0 CBADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000442765393 208364633 /nfs/dbraw/zinc/36/46/33/208364633.db2.gz JLPXHNKAQGRYDQ-NEPJUHHUSA-N 2 0 255.362 -0.096 20 0 CBADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000442789656 208367818 /nfs/dbraw/zinc/36/78/18/208367818.db2.gz KAGYHFWESJNGTD-WDEREUQCSA-N 2 0 263.407 -0.063 20 0 CBADRP CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443059543 208377548 /nfs/dbraw/zinc/37/75/48/208377548.db2.gz MWUBLURVQAIMNE-NSHDSACASA-N 2 0 263.407 -0.014 20 0 CBADRP CCS(=O)(=O)NCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443059542 208378207 /nfs/dbraw/zinc/37/82/07/208378207.db2.gz MWUBLURVQAIMNE-LLVKDONJSA-N 2 0 263.407 -0.014 20 0 CBADRP CC[NH+]1CCN(CC(=O)N(C)CC[NH+](C)C)CC1 ZINC000443216458 208383118 /nfs/dbraw/zinc/38/31/18/208383118.db2.gz UBIISBHVRYUAEQ-UHFFFAOYSA-N 2 0 256.394 -0.356 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000349935842 218955862 /nfs/dbraw/zinc/95/58/62/218955862.db2.gz KLYRXRLUCHQPSM-WDEREUQCSA-N 2 0 270.377 -0.750 20 0 CBADRP COCC[C@]1(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC[NH2+]C1 ZINC000431004186 285183629 /nfs/dbraw/zinc/18/36/29/285183629.db2.gz IQJMDNRISQMSRP-DZGCQCFKSA-N 2 0 298.431 -0.635 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN(C)[C@@H](C)C[NH3+])CC1 ZINC000430958458 285188487 /nfs/dbraw/zinc/18/84/87/285188487.db2.gz SNBKUDMHSAGBDT-NSHDSACASA-N 2 0 256.394 -0.134 20 0 CBADRP COC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000423753676 285225092 /nfs/dbraw/zinc/22/50/92/285225092.db2.gz XQNXHTANFXJCNY-NWDGAFQWSA-N 2 0 273.377 -0.471 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354702463 285256815 /nfs/dbraw/zinc/25/68/15/285256815.db2.gz YHDPSKXKILSDFQ-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@@H](C)C[NH2+]1 ZINC000354748045 220912370 /nfs/dbraw/zinc/91/23/70/220912370.db2.gz BAFRZHYHFQYGMG-GRYCIOLGSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000574875222 335054176 /nfs/dbraw/zinc/05/41/76/335054176.db2.gz FIMPDRPSXNXSFS-JVGWCMFKSA-N 2 0 279.384 -0.085 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000575043254 335058151 /nfs/dbraw/zinc/05/81/51/335058151.db2.gz QRMURRMNZRNCAD-DCAQKATOSA-N 2 0 287.360 -0.898 20 0 CBADRP [NH3+]CC[C@H]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000521041551 260031590 /nfs/dbraw/zinc/03/15/90/260031590.db2.gz PNRFPIQGYPCGNH-VXGBXAGGSA-N 2 0 282.388 -0.558 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424159549 285335209 /nfs/dbraw/zinc/33/52/09/285335209.db2.gz VQKXTRNXEVGKPF-UTUOFQBUSA-N 2 0 254.378 -0.524 20 0 CBADRP COC[C@H](C)NC(=[NH2+])NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000361814165 285342290 /nfs/dbraw/zinc/34/22/90/285342290.db2.gz NAYOPHSKVSKEQY-QJPTWQEYSA-N 2 0 270.377 -0.002 20 0 CBADRP NC(=O)NC(=O)CC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000575124108 335069534 /nfs/dbraw/zinc/06/95/34/335069534.db2.gz OJGUWJTXPGMNHZ-QWRGUYRKSA-N 2 0 268.361 -0.107 20 0 CBADRP O=C([C@@H]1CC[NH2+]C1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000430796499 304352967 /nfs/dbraw/zinc/35/29/67/304352967.db2.gz ZBIZPGHLQMFMTH-QWHCGFSZSA-N 2 0 267.373 -0.223 20 0 CBADRP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351472529 289238655 /nfs/dbraw/zinc/23/86/55/289238655.db2.gz AZYYYOCPVWFPGH-QJPTWQEYSA-N 2 0 275.418 -0.063 20 0 CBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1(C)C ZINC000366557430 286307143 /nfs/dbraw/zinc/30/71/43/286307143.db2.gz SHEPWRQQNLOLIT-AHMQBVQWSA-N 2 0 267.373 -0.147 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)CC(N)=O)CN1CC[NH+](C)CC1 ZINC000346070821 289688789 /nfs/dbraw/zinc/68/87/89/289688789.db2.gz PLZMZXZXMLCFHF-NEPJUHHUSA-N 2 0 256.394 -0.277 20 0 CBADRP [NH3+]CCCN1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000037038110 411625351 /nfs/dbraw/zinc/62/53/51/411625351.db2.gz PCSXUDQUHYFDLP-UHFFFAOYSA-N 2 0 268.405 -0.035 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000418507713 292561369 /nfs/dbraw/zinc/56/13/69/292561369.db2.gz LIKOJSKNRFWCQK-UHFFFAOYSA-N 2 0 258.366 -0.384 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000662750262 413990858 /nfs/dbraw/zinc/99/08/58/413990858.db2.gz MEACBWYLFUJRIK-MCIONIFRSA-N 2 0 297.399 -0.469 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)n1 ZINC000662750472 413991632 /nfs/dbraw/zinc/99/16/32/413991632.db2.gz SOZQIRJSJYQNOG-WDEREUQCSA-N 2 0 291.355 -0.212 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC[C@H]1F ZINC000662748261 413992218 /nfs/dbraw/zinc/99/22/18/413992218.db2.gz NUPLWUXMCUQABG-IVZWLZJFSA-N 2 0 281.335 -0.002 20 0 CBADRP C[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662901186 414058912 /nfs/dbraw/zinc/05/89/12/414058912.db2.gz UFPVPGLRDNWJEG-ZDUSSCGKSA-N 2 0 268.405 -0.167 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000037824333 173779878 /nfs/dbraw/zinc/77/98/78/173779878.db2.gz VZWZIFGJWFWFCL-NSHDSACASA-N 2 0 268.361 -0.852 20 0 CBADRP C[C@H](CNC(=O)CNC(=O)C[NH3+])[NH+]1CCCCC1 ZINC000038029475 174020729 /nfs/dbraw/zinc/02/07/29/174020729.db2.gz VAVHHQVUYLDPDY-SNVBAGLBSA-N 2 0 256.350 -0.948 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040600324 174351200 /nfs/dbraw/zinc/35/12/00/174351200.db2.gz IKUHAFKXXDBPQU-JTQLQIEISA-N 2 0 256.350 -0.237 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000044471430 175177949 /nfs/dbraw/zinc/17/79/49/175177949.db2.gz GPDIFPLICXSCCE-GFCCVEGCSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)C[NH+]1CCCC1 ZINC000062076404 175661842 /nfs/dbraw/zinc/66/18/42/175661842.db2.gz ARNOCFMYHIMTDS-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@@H]1CCCN(C(=O)CCOC2C[NH2+]C2)[C@H]1C[NH3+] ZINC000349026741 287328474 /nfs/dbraw/zinc/32/84/74/287328474.db2.gz KSKPWLHJHRGCGS-PWSUYJOCSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1CCCN(CCC(=O)N2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC000262103814 287346795 /nfs/dbraw/zinc/34/67/95/287346795.db2.gz MERKJTWECDXILX-OLZOCXBDSA-N 2 0 268.405 -0.133 20 0 CBADRP [NH3+]C[C@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000575179187 335076351 /nfs/dbraw/zinc/07/63/51/335076351.db2.gz JNPDUVZSPICMIV-QWRGUYRKSA-N 2 0 268.361 -0.902 20 0 CBADRP [NH3+]C[C@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000575179186 335076387 /nfs/dbraw/zinc/07/63/87/335076387.db2.gz JNPDUVZSPICMIV-MNOVXSKESA-N 2 0 268.361 -0.902 20 0 CBADRP O=C(COC1C[NH2+]C1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000575180499 335076638 /nfs/dbraw/zinc/07/66/38/335076638.db2.gz YUSPBOTXWBHEBJ-NWDGAFQWSA-N 2 0 253.346 -0.521 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)CC(C)(C)[NH3+])CC1 ZINC000084184082 544430907 /nfs/dbraw/zinc/43/09/07/544430907.db2.gz ALCKYBWWNCZFNS-UHFFFAOYSA-N 2 0 256.394 -0.133 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)c1cn(CC[NH3+])nn1 ZINC000089698157 544436396 /nfs/dbraw/zinc/43/63/96/544436396.db2.gz AJRXCOXWMZNCBS-UHFFFAOYSA-N 2 0 268.365 -0.446 20 0 CBADRP C[NH+](C)C[C@H]1CCCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000089701090 544437416 /nfs/dbraw/zinc/43/74/16/544437416.db2.gz NMLSEFGMWIRYLN-SNVBAGLBSA-N 2 0 266.349 -0.597 20 0 CBADRP [NH3+]CCn1cc(C(=O)N2CC[NH+](C3CCCC3)CC2)nn1 ZINC000089700981 544437749 /nfs/dbraw/zinc/43/77/49/544437749.db2.gz NRNJVSKLFMUQAE-UHFFFAOYSA-N 2 0 292.387 -0.063 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)c1cn(CC[NH3+])nn1 ZINC000089700809 544438193 /nfs/dbraw/zinc/43/81/93/544438193.db2.gz HOXKNRFKXWMVSO-JTQLQIEISA-N 2 0 268.365 -0.303 20 0 CBADRP CC[NH+]1CCC(NC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000098061557 544446899 /nfs/dbraw/zinc/44/68/99/544446899.db2.gz WPWTYOLWYONLPS-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP CC1(OCC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[NH2+]C1 ZINC000098061664 544447076 /nfs/dbraw/zinc/44/70/76/544447076.db2.gz CZFFAIIPLVWYIX-NSHDSACASA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C(N)=O ZINC000113381303 544449601 /nfs/dbraw/zinc/44/96/01/544449601.db2.gz SZPLJNGLZKGFLE-UHFFFAOYSA-N 2 0 258.366 -0.796 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)c3cn(CC[NH3+])nn3)CC[C@@H]21 ZINC000166615024 544476982 /nfs/dbraw/zinc/47/69/82/544476982.db2.gz FYTXDVQKGCIAFT-AAEUAGOBSA-N 2 0 292.387 -0.207 20 0 CBADRP O=C(NC[C@@H](O)CN1CCOCC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000332998684 544542763 /nfs/dbraw/zinc/54/27/63/544542763.db2.gz RLTSIBALVBSRRP-ZIAGYGMSSA-N 2 0 297.399 -0.578 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333695457 544545131 /nfs/dbraw/zinc/54/51/31/544545131.db2.gz QELOOSIXBYPPLH-BFHYXJOUSA-N 2 0 295.431 -0.184 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000333575532 544545324 /nfs/dbraw/zinc/54/53/24/544545324.db2.gz SQVNQDVZFGNDQF-OLZOCXBDSA-N 2 0 282.388 -0.146 20 0 CBADRP CC(C)([NH3+])CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000236829614 544506087 /nfs/dbraw/zinc/50/60/87/544506087.db2.gz UFWRFTQMHKDDQA-UHFFFAOYSA-N 2 0 296.415 -0.120 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NCC[NH2+]C2CC2)CC1=O ZINC000237162066 544507669 /nfs/dbraw/zinc/50/76/69/544507669.db2.gz JQFRBINKOQWEGT-LLVKDONJSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000236923321 544508491 /nfs/dbraw/zinc/50/84/91/544508491.db2.gz USEONNPRWQVPBT-NEPJUHHUSA-N 2 0 256.394 -0.229 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC[NH2+]C2CC2)CC1=O ZINC000237160565 544508756 /nfs/dbraw/zinc/50/87/56/544508756.db2.gz JQFRBINKOQWEGT-NSHDSACASA-N 2 0 282.388 -0.735 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000250519013 544513214 /nfs/dbraw/zinc/51/32/14/544513214.db2.gz RZOOXJAWUVGCSX-NWDGAFQWSA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000261846900 544517409 /nfs/dbraw/zinc/51/74/09/544517409.db2.gz QBOBMWCMLKTDOR-GRYCIOLGSA-N 2 0 282.388 -0.560 20 0 CBADRP COC[C@H](C)OC[C@H](O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000300263596 544527013 /nfs/dbraw/zinc/52/70/13/544527013.db2.gz WGEDLTNXDPNGPQ-ZDEQEGDKSA-N 2 0 258.362 -0.450 20 0 CBADRP CC(C)C[C@@H]([NH3+])C(=O)NCCN1CC[NH+](C)CC1 ZINC000037760056 419410878 /nfs/dbraw/zinc/41/08/78/419410878.db2.gz WWXSLXIXYRBCBI-GFCCVEGCSA-N 2 0 256.394 -0.277 20 0 CBADRP Cc1nc(N)nc(N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)n1 ZINC000631314830 419480398 /nfs/dbraw/zinc/48/03/98/419480398.db2.gz SSGMAKQBJADWFN-RKDXNWHRSA-N 2 0 266.349 -0.346 20 0 CBADRP Nc1nc(NCC[N@@H+]2CC[C@@H](O)C2)c2c([nH+]1)CCCC2 ZINC000624679687 419424918 /nfs/dbraw/zinc/42/49/18/419424918.db2.gz MKWOLMHPROBBSJ-SNVBAGLBSA-N 2 0 277.372 -0.162 20 0 CBADRP C[NH2+]CCC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000043605814 419429646 /nfs/dbraw/zinc/42/96/46/419429646.db2.gz BSWLMZAJLFMTTL-CYBMUJFWSA-N 2 0 270.421 -0.016 20 0 CBADRP O=C(NCC[NH+]1CCCCCC1)[C@H]1C[NH2+]CCO1 ZINC000043800541 419429747 /nfs/dbraw/zinc/42/97/47/419429747.db2.gz HSNWHESPHCAYHF-GFCCVEGCSA-N 2 0 255.362 -0.033 20 0 CBADRP C[C@@H](CNC(=O)CN1CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000062073794 419457834 /nfs/dbraw/zinc/45/78/34/419457834.db2.gz MSNBUCCYUNEALR-ZDUSSCGKSA-N 2 0 268.405 -0.260 20 0 CBADRP CCN(C)C[C@H](O)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661138435 419468751 /nfs/dbraw/zinc/46/87/51/419468751.db2.gz BIQQGEGCAPZZAH-OLZOCXBDSA-N 2 0 267.377 -0.087 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394372385 544579118 /nfs/dbraw/zinc/57/91/18/544579118.db2.gz LGKRFLLNZCAOSP-RYUDHWBXSA-N 2 0 254.378 -0.524 20 0 CBADRP O[C@]12C[C@H]1C[NH+](CCOCC[N@@H+]1CC[C@@]3(O)C[C@H]3C1)CC2 ZINC000661723236 419523059 /nfs/dbraw/zinc/52/30/59/419523059.db2.gz WLGIHXZIZBREMJ-CAOSSQGBSA-N 2 0 296.411 -0.084 20 0 CBADRP CCN1CC[C@H]([N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1=O ZINC000662275336 419567540 /nfs/dbraw/zinc/56/75/40/419567540.db2.gz AOGYQYRCXIRQMH-OLZOCXBDSA-N 2 0 266.389 -0.413 20 0 CBADRP CC[C@@H]1CN(C[C@H]2C[NH2+]CCO2)CC[N@@H+]1C[C@@H](C)O ZINC000662262179 419567880 /nfs/dbraw/zinc/56/78/80/419567880.db2.gz SDDQMDWTOCGLDW-MGPQQGTHSA-N 2 0 271.405 -0.248 20 0 CBADRP CCOC[C@@H](O)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662157733 419550838 /nfs/dbraw/zinc/55/08/38/419550838.db2.gz PWLJLTVAALGQGM-KBPBESRZSA-N 2 0 272.389 -0.085 20 0 CBADRP C[C@H](C(=O)N(C)C)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662157884 419551814 /nfs/dbraw/zinc/55/18/14/419551814.db2.gz SQRCIQQJWYPWQB-DGCLKSJQSA-N 2 0 269.389 -0.006 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000389758300 544577048 /nfs/dbraw/zinc/57/70/48/544577048.db2.gz SAJSAWKQLXEOGF-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)COC2(C)C[NH2+]C2)C1 ZINC000389727774 544577267 /nfs/dbraw/zinc/57/72/67/544577267.db2.gz LKOSNEZIHUGZCT-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP CC[N@@H+](CC(=O)N(C)C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250675 419561088 /nfs/dbraw/zinc/56/10/88/419561088.db2.gz LQXXIOMWPHLCIR-LLVKDONJSA-N 2 0 255.362 -0.083 20 0 CBADRP CNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662256736 419562612 /nfs/dbraw/zinc/56/26/12/419562612.db2.gz YKIMSOXGUQRYRV-NEPJUHHUSA-N 2 0 267.373 -0.035 20 0 CBADRP CNC(=O)[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252145 419563485 /nfs/dbraw/zinc/56/34/85/419563485.db2.gz KPZGHSLTICUOFZ-GHMZBOCLSA-N 2 0 253.346 -0.282 20 0 CBADRP O=C1NCCN1[C@@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253715 419564088 /nfs/dbraw/zinc/56/40/88/419564088.db2.gz JZTTVTJLKAPNFK-OLZOCXBDSA-N 2 0 294.399 -0.003 20 0 CBADRP C[C@@H](CNC(=O)CN1CC[NH2+]CC1)[N@H+](C)C1CC1 ZINC000219963131 419564605 /nfs/dbraw/zinc/56/46/05/419564605.db2.gz FAQDHVRYAPXYRM-NSHDSACASA-N 2 0 254.378 -0.510 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000644113992 419565026 /nfs/dbraw/zinc/56/50/26/419565026.db2.gz YTYNNBUQTCCDAE-ONGXEEELSA-N 2 0 263.345 0.354 20 0 CBADRP CC[N@H+](CCNC(=O)CN1CC[NH2+]CC1)C1CC1 ZINC000219918621 419565162 /nfs/dbraw/zinc/56/51/62/419565162.db2.gz SPSIXPFHDFPJGX-UHFFFAOYSA-N 2 0 254.378 -0.508 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000220094072 419565282 /nfs/dbraw/zinc/56/52/82/419565282.db2.gz HSLLMLKKMMQICB-JTQLQIEISA-N 2 0 268.365 -0.303 20 0 CBADRP CCN1CC[C@@H]([N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1=O ZINC000662275335 419565121 /nfs/dbraw/zinc/56/51/21/419565121.db2.gz AOGYQYRCXIRQMH-CHWSQXEVSA-N 2 0 266.389 -0.413 20 0 CBADRP CN(C)C(=O)CN1CCC[C@H]([N@H+](C)CC(=O)N(C)C)CC1 ZINC000156973015 419503541 /nfs/dbraw/zinc/50/35/41/419503541.db2.gz HNVOGXLOPFZEFQ-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CCN1CC[C@@H]([N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1=O ZINC000662275337 419567223 /nfs/dbraw/zinc/56/72/23/419567223.db2.gz AOGYQYRCXIRQMH-QWHCGFSZSA-N 2 0 266.389 -0.413 20 0 CBADRP O=C(C[NH2+]CC1CC1)Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000328631899 419632099 /nfs/dbraw/zinc/63/20/99/419632099.db2.gz RNVOBRNRRUVSCR-NSHDSACASA-N 2 0 263.345 0.356 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)NCCOCC[NH+](C)C ZINC000662534809 419634399 /nfs/dbraw/zinc/63/43/99/419634399.db2.gz FEZHNDVMJYADAA-NSHDSACASA-N 2 0 261.366 -0.567 20 0 CBADRP [NH3+]Cc1cc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)ccn1 ZINC000394378449 544579878 /nfs/dbraw/zinc/57/98/78/544579878.db2.gz INMOTWYWVVWTHW-AWEZNQCLSA-N 2 0 289.383 -0.340 20 0 CBADRP [NH3+][C@H](CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)C1CC1 ZINC000662550101 419636916 /nfs/dbraw/zinc/63/69/16/419636916.db2.gz AKKZWPLUSFHZRD-GXSJLCMTSA-N 2 0 263.345 -0.046 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000647723896 419638072 /nfs/dbraw/zinc/63/80/72/419638072.db2.gz AAUYWHAIBDONAN-LOWVWBTDSA-N 2 0 284.404 -0.410 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000236881740 419571396 /nfs/dbraw/zinc/57/13/96/419571396.db2.gz PDVZSXWGZRZNBI-CQSZACIVSA-N 2 0 268.405 -0.260 20 0 CBADRP CN(C)C(=O)NCC[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662281118 419574593 /nfs/dbraw/zinc/57/45/93/419574593.db2.gz SZZKYNCOCKSPKI-LLVKDONJSA-N 2 0 270.377 -0.290 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCC[NH3+] ZINC000237017643 419576354 /nfs/dbraw/zinc/57/63/54/419576354.db2.gz WNWKUBHIFFMRDL-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CCC[NH2+]1 ZINC000394382535 544581090 /nfs/dbraw/zinc/58/10/90/544581090.db2.gz RYIGJTTXXFRJBD-RYUDHWBXSA-N 2 0 252.362 -0.756 20 0 CBADRP C[C@@H](C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)[C@H](C)[NH3+] ZINC000394381573 544581333 /nfs/dbraw/zinc/58/13/33/544581333.db2.gz MLVGMDWWNADCRI-WOPDTQHZSA-N 2 0 254.378 -0.524 20 0 CBADRP C[C@@H](C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@H](C)[NH3+] ZINC000394381569 544581457 /nfs/dbraw/zinc/58/14/57/544581457.db2.gz MLVGMDWWNADCRI-GRYCIOLGSA-N 2 0 254.378 -0.524 20 0 CBADRP C[C@H](CNC(=O)[C@]1(C)CC[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000237476675 419581359 /nfs/dbraw/zinc/58/13/59/419581359.db2.gz ZPEWPAXGGYTTJB-UKRRQHHQSA-N 2 0 282.432 -0.014 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394381570 544581604 /nfs/dbraw/zinc/58/16/04/544581604.db2.gz MLVGMDWWNADCRI-SDDRHHMPSA-N 2 0 254.378 -0.524 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000662296610 419582275 /nfs/dbraw/zinc/58/22/75/419582275.db2.gz TZDMDVMBHVIXHM-NWDGAFQWSA-N 2 0 253.350 -0.430 20 0 CBADRP CC(C)[NH2+]CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394382008 544581719 /nfs/dbraw/zinc/58/17/19/544581719.db2.gz ORSWCJQNXBFCKT-GFCCVEGCSA-N 2 0 254.378 -0.510 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000237314962 419583020 /nfs/dbraw/zinc/58/30/20/419583020.db2.gz LQBDDDJAWJCBPB-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP O=C(CC[N@@H+]1CC[C@@H]2COC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000662317503 419583091 /nfs/dbraw/zinc/58/30/91/419583091.db2.gz QIJYUBAUMNKXLU-OLZOCXBDSA-N 2 0 267.373 -0.223 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394388156 544581793 /nfs/dbraw/zinc/58/17/93/544581793.db2.gz YBDQHIFFZJNSEB-STQMWFEESA-N 2 0 266.389 -0.508 20 0 CBADRP CN(C)C(=O)N(C)[C@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000662317210 419585194 /nfs/dbraw/zinc/58/51/94/419585194.db2.gz NREBDFOLEQQEPY-NSHDSACASA-N 2 0 258.366 -0.351 20 0 CBADRP CN1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCC1=O ZINC000662317626 419586049 /nfs/dbraw/zinc/58/60/49/419586049.db2.gz YEUNJDBZVOIVGM-NSHDSACASA-N 2 0 253.346 -0.329 20 0 CBADRP C[C@]12COC[C@@H]1C[N@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000662310729 419586736 /nfs/dbraw/zinc/58/67/36/419586736.db2.gz MQYKCAXPDVOWBI-JSGCOSHPSA-N 2 0 267.373 -0.223 20 0 CBADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662340751 419588263 /nfs/dbraw/zinc/58/82/63/419588263.db2.gz HOCNMTQQXWEQNR-AVGNSLFASA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000662405128 419594599 /nfs/dbraw/zinc/59/45/99/419594599.db2.gz KQKLOAHSJUEMKM-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP COc1ccccc1[C@H]([NH3+])CNC(=O)C1(O)C[NH2+]C1 ZINC000662396728 419596333 /nfs/dbraw/zinc/59/63/33/419596333.db2.gz HFOPVBDUCNEDPC-SNVBAGLBSA-N 2 0 265.313 -0.855 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000662403858 419596538 /nfs/dbraw/zinc/59/65/38/419596538.db2.gz BLCKLKGNPSPBSG-NWDGAFQWSA-N 2 0 296.415 -0.312 20 0 CBADRP CN(C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000662414989 419599121 /nfs/dbraw/zinc/59/91/21/419599121.db2.gz KJHABQGMFSXDBK-NXEZZACHSA-N 2 0 263.345 -0.080 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000662560514 419640116 /nfs/dbraw/zinc/64/01/16/419640116.db2.gz FWZVJLXDVKIJNE-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662425573 419601110 /nfs/dbraw/zinc/60/11/10/419601110.db2.gz JXCCFEMKLLRGGF-NOOOWODRSA-N 2 0 253.346 -0.297 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000647711804 419640184 /nfs/dbraw/zinc/64/01/84/419640184.db2.gz GZFHIPDXTSAVAA-KBPBESRZSA-N 2 0 299.415 -0.472 20 0 CBADRP C[NH2+]C[C@@H](O)CNC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647526526 419604340 /nfs/dbraw/zinc/60/43/40/419604340.db2.gz APXABEDMIXEIAE-HUUCEWRRSA-N 2 0 281.400 -0.351 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000662444461 419605110 /nfs/dbraw/zinc/60/51/10/419605110.db2.gz IUQYMBWWBHWXNX-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H](O)C2CCC2)CC1 ZINC000647537073 419607650 /nfs/dbraw/zinc/60/76/50/419607650.db2.gz OKPSTHYXLFNBSN-KGLIPLIRSA-N 2 0 271.405 -0.655 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662453254 419610015 /nfs/dbraw/zinc/61/00/15/419610015.db2.gz VRQFCHKJHDMKEL-UTUOFQBUSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662449040 419611086 /nfs/dbraw/zinc/61/10/86/419611086.db2.gz IMRJWLUSLDPQPU-XQQFMLRXSA-N 2 0 268.405 -0.134 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)nn1 ZINC000662450600 419611568 /nfs/dbraw/zinc/61/15/68/419611568.db2.gz AFIJSAABNNFSIQ-LLVKDONJSA-N 2 0 278.360 -0.549 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@](CO)(OC)C1 ZINC000401813910 544584744 /nfs/dbraw/zinc/58/47/44/544584744.db2.gz WESZBTBGXFYXEF-OLZOCXBDSA-N 2 0 260.378 -0.228 20 0 CBADRP CC(C)[NH2+]CC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000662448542 419611598 /nfs/dbraw/zinc/61/15/98/419611598.db2.gz CPDBQJOPINAYHO-LBPRGKRZSA-N 2 0 256.394 -0.264 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000662459320 419614910 /nfs/dbraw/zinc/61/49/10/419614910.db2.gz GYPJFKGQNJJUQJ-LBPRGKRZSA-N 2 0 287.404 -0.034 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000662479773 419617285 /nfs/dbraw/zinc/61/72/85/419617285.db2.gz MRWQSJFHDUOSFA-OLZOCXBDSA-N 2 0 270.421 -0.016 20 0 CBADRP COC[C@@]1(C(=O)N[C@H]2CCC[N@H+](C)C2)CC[NH2+]C1 ZINC000310865516 419619572 /nfs/dbraw/zinc/61/95/72/419619572.db2.gz RKWBPIXIEBYFJT-WCQYABFASA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000647594963 419620230 /nfs/dbraw/zinc/62/02/30/419620230.db2.gz BFNXUASTMRCRFD-DCAQKATOSA-N 2 0 284.404 -0.173 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000662497457 419623434 /nfs/dbraw/zinc/62/34/34/419623434.db2.gz JNOQLNWOBVLWOE-MWLCHTKSSA-N 2 0 278.360 -0.551 20 0 CBADRP C[C@@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)[NH+](C)C ZINC000662527668 419630779 /nfs/dbraw/zinc/63/07/79/419630779.db2.gz XRDZBEWAZXPEBP-JTQLQIEISA-N 2 0 280.376 -0.118 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[NH2+]CCC1(F)F ZINC000647679526 419630906 /nfs/dbraw/zinc/63/09/06/419630906.db2.gz LISIUQQIXWDCNY-JTQLQIEISA-N 2 0 276.331 -0.747 20 0 CBADRP C[C@H](CCNC(=O)c1cn(CC[NH3+])nn1)[NH+](C)C ZINC000662635073 419661680 /nfs/dbraw/zinc/66/16/80/419661680.db2.gz VAKLURBQXOBLIZ-SECBINFHSA-N 2 0 254.338 -0.693 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)COC2(C)C[NH2+]C2)C1 ZINC000647818209 419662816 /nfs/dbraw/zinc/66/28/16/419662816.db2.gz CTEBZNCEUVJFDM-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647828432 419664513 /nfs/dbraw/zinc/66/45/13/419664513.db2.gz CZDSGDZPPPCJTF-VXGBXAGGSA-N 3 0 254.378 -0.617 20 0 CBADRP CC1(OCC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C[NH2+]C1 ZINC000647829476 419665649 /nfs/dbraw/zinc/66/56/49/419665649.db2.gz MKFLAOGYOHNKFV-MNOVXSKESA-N 2 0 255.362 -0.001 20 0 CBADRP CC(C)[NH2+]CCC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000662658489 419671187 /nfs/dbraw/zinc/67/11/87/419671187.db2.gz AXKXJNBGMFJBCA-UHFFFAOYSA-N 2 0 286.420 -0.147 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000662659202 419672340 /nfs/dbraw/zinc/67/23/40/419672340.db2.gz JIXUZHMZJOVZGP-LLVKDONJSA-N 2 0 272.393 -0.537 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)C1(O)C[NH2+]C1)c1cccc(F)c1 ZINC000662663698 419674899 /nfs/dbraw/zinc/67/48/99/419674899.db2.gz PKBPBTZNBSMVMS-LBPRGKRZSA-N 2 0 281.331 -0.121 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1coc(C[NH3+])c1 ZINC000662660906 419675632 /nfs/dbraw/zinc/67/56/32/419675632.db2.gz ZPMRJQCDSLPPAN-UHFFFAOYSA-N 2 0 296.371 -0.170 20 0 CBADRP C[C@]1(CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CCC[NH2+]C1 ZINC000662765359 419714607 /nfs/dbraw/zinc/71/46/07/419714607.db2.gz SIDFGHBDSCAHEC-LOWVWBTDSA-N 2 0 255.362 -0.144 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000647865373 419676308 /nfs/dbraw/zinc/67/63/08/419676308.db2.gz HQLYPIUWDXMMSX-SYAUCNOPSA-N 2 0 293.411 -0.035 20 0 CBADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662679595 419678749 /nfs/dbraw/zinc/67/87/49/419678749.db2.gz ARFAGALUCCBCFJ-RYUDHWBXSA-N 2 0 269.389 -0.195 20 0 CBADRP CCNC(=O)CCC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000647873407 419679168 /nfs/dbraw/zinc/67/91/68/419679168.db2.gz GGBMEBORNJUAOL-SNVBAGLBSA-N 2 0 256.350 -0.996 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)c2c[nH+]ccc2N)CCO1 ZINC000647876938 419679461 /nfs/dbraw/zinc/67/94/61/419679461.db2.gz DLRYYKUWGIMFMA-KWQFWETISA-N 2 0 250.302 -0.318 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNc1ncnc2c1OCCN2 ZINC000647874102 419679599 /nfs/dbraw/zinc/67/95/99/419679599.db2.gz SGPZRWSXLGRMKX-GFCCVEGCSA-N 2 0 267.333 0.005 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cn(CC[NH3+])nn1 ZINC000662684037 419681287 /nfs/dbraw/zinc/68/12/87/419681287.db2.gz ADENABXOZXXJEN-LLVKDONJSA-N 2 0 280.376 -0.349 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000662684875 419683175 /nfs/dbraw/zinc/68/31/75/419683175.db2.gz KSVHVNNMZGAXAU-STQMWFEESA-N 2 0 267.373 -0.096 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]C2)CCO1 ZINC000647877435 419683190 /nfs/dbraw/zinc/68/31/90/419683190.db2.gz QJTYYWWALVZJBD-LOWVWBTDSA-N 2 0 255.362 -0.049 20 0 CBADRP CCC[NH+]1CCC(CNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662693052 419686087 /nfs/dbraw/zinc/68/60/87/419686087.db2.gz NKWJSTIXLUOKGD-UHFFFAOYSA-N 2 0 255.362 -0.441 20 0 CBADRP CC(C)[N@H+](C)CC1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662690283 419686953 /nfs/dbraw/zinc/68/69/53/419686953.db2.gz LUTNMTKBJPRSLJ-UHFFFAOYSA-N 2 0 269.389 -0.101 20 0 CBADRP CCN1C(=O)[C@@H]2CN(C[C@H]3CC[NH2+]C3)CCN2C1=O ZINC000647891466 419687174 /nfs/dbraw/zinc/68/71/74/419687174.db2.gz HTJFOSZVSRCEQH-QWRGUYRKSA-N 2 0 266.345 -0.436 20 0 CBADRP C(CN1CCO[C@@H]([C@@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC000647891565 419688297 /nfs/dbraw/zinc/68/82/97/419688297.db2.gz RPXBWLKWNVKFCS-UONOGXRCSA-N 2 0 269.389 -0.229 20 0 CBADRP C[NH+]1CCC(CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662700246 419688384 /nfs/dbraw/zinc/68/83/84/419688384.db2.gz GTKWWRGDQVFNPJ-VXGBXAGGSA-N 2 0 255.362 -0.192 20 0 CBADRP C[C@@H](CNC(=O)C1(O)C[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000662698449 419688475 /nfs/dbraw/zinc/68/84/75/419688475.db2.gz MQZFDLQEYRSCGY-LBPRGKRZSA-N 2 0 289.379 -0.116 20 0 CBADRP COC[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000647891531 419688748 /nfs/dbraw/zinc/68/87/48/419688748.db2.gz MUEOYUUKQCFVJO-GFCCVEGCSA-N 2 0 255.362 -0.081 20 0 CBADRP CCN1C(=O)[C@H]2CN(C[C@@H]3CC[NH2+]C3)CCN2C1=O ZINC000647891464 419689096 /nfs/dbraw/zinc/68/90/96/419689096.db2.gz HTJFOSZVSRCEQH-GHMZBOCLSA-N 2 0 266.345 -0.436 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])cn1 ZINC000662701207 419689956 /nfs/dbraw/zinc/68/99/56/419689956.db2.gz MVJLTDNMZAIGEH-NEPJUHHUSA-N 2 0 281.360 -0.253 20 0 CBADRP CC[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647934362 419690919 /nfs/dbraw/zinc/69/09/19/419690919.db2.gz BVUPBMJUMPHNEJ-STQMWFEESA-N 3 0 268.405 -0.133 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CCO1 ZINC000662765920 419715037 /nfs/dbraw/zinc/71/50/37/419715037.db2.gz GFOPKFDNPDEYKC-PSASIEDQSA-N 2 0 281.278 -0.286 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC000662704230 419693648 /nfs/dbraw/zinc/69/36/48/419693648.db2.gz XAQUPDSBKHADQU-NEPJUHHUSA-N 2 0 256.394 -0.134 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662704033 419695691 /nfs/dbraw/zinc/69/56/91/419695691.db2.gz SBLHZOQEYYNUGE-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCCN1CC[NH2+]CC1 ZINC000417297945 544591334 /nfs/dbraw/zinc/59/13/34/544591334.db2.gz JUIMYHJAUQSSHC-CYBMUJFWSA-N 2 0 285.436 -0.079 20 0 CBADRP COC[C@@]1(C(=O)NCC23CC(C2)C[NH2+]3)CC[NH2+]C1 ZINC000662718634 419697719 /nfs/dbraw/zinc/69/77/19/419697719.db2.gz NBRUPSJAGFTKIS-YXMLORGKSA-N 2 0 253.346 -0.519 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000662716874 419698423 /nfs/dbraw/zinc/69/84/23/419698423.db2.gz IOCPPBHUEYQMCS-FDYHWXHSSA-N 2 0 267.373 -0.219 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)NCC12CC(C1)C[NH2+]2 ZINC000662718991 419699450 /nfs/dbraw/zinc/69/94/50/419699450.db2.gz UAFZYEHEGBSPQY-SQLBVSGCSA-N 2 0 255.387 -0.050 20 0 CBADRP COC1CC[NH+](C(C)(C)CNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662725687 419700971 /nfs/dbraw/zinc/70/09/71/419700971.db2.gz DTELHQBTYBJNPG-UHFFFAOYSA-N 2 0 285.388 -0.674 20 0 CBADRP O=C(CCN1CC[C@H]2CC[NH2+][C@@H]2C1)N1CC[NH2+]CC1 ZINC000647987649 419704774 /nfs/dbraw/zinc/70/47/74/419704774.db2.gz NUICXOQVMMYUQF-CHWSQXEVSA-N 2 0 266.389 -0.508 20 0 CBADRP [NH3+]CC1(O)CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000647992657 419707671 /nfs/dbraw/zinc/70/76/71/419707671.db2.gz XMPZNMIZBFATDH-GJZGRUSLSA-N 3 0 293.411 -0.297 20 0 CBADRP [NH3+]CCOc1ccc(NC(=O)C2(O)C[NH2+]C2)cc1 ZINC000662763834 419709326 /nfs/dbraw/zinc/70/93/26/419709326.db2.gz DPDXSOUZVRQPEH-UHFFFAOYSA-N 2 0 251.286 -0.703 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662758391 419709934 /nfs/dbraw/zinc/70/99/34/419709934.db2.gz RFUZRXMHWDNJIN-JHJVBQTASA-N 2 0 268.405 -0.134 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662755435 419710029 /nfs/dbraw/zinc/71/00/29/419710029.db2.gz BOLYIAIPBHJDHD-HAQNSBGRSA-N 2 0 254.378 -0.523 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CCO1 ZINC000662765921 419713280 /nfs/dbraw/zinc/71/32/80/419713280.db2.gz GFOPKFDNPDEYKC-SCZZXKLOSA-N 2 0 281.278 -0.286 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000647728294 419641617 /nfs/dbraw/zinc/64/16/17/419641617.db2.gz YLYPSBBIMZLIKU-KKOKHZNYSA-N 2 0 280.372 -0.950 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000662552595 419642176 /nfs/dbraw/zinc/64/21/76/419642176.db2.gz KHRWKTFPDSZGHU-JTQLQIEISA-N 2 0 266.349 -0.549 20 0 CBADRP COC1(C(=O)N(C)CCN2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000647769779 419650462 /nfs/dbraw/zinc/65/04/62/419650462.db2.gz JGCGBGGDGXSLJX-UHFFFAOYSA-N 2 0 284.404 -0.881 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)C[NH2+]CC1CC1 ZINC000647769816 419650540 /nfs/dbraw/zinc/65/05/40/419650540.db2.gz KUQODCNODOMWBL-UHFFFAOYSA-N 2 0 254.378 -0.650 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)CCC(C)(C)[NH3+] ZINC000647769982 419651678 /nfs/dbraw/zinc/65/16/78/419651678.db2.gz RTKAGLUTSSLBNB-UHFFFAOYSA-N 2 0 256.394 -0.133 20 0 CBADRP CC(C)[C@H](C(=O)N(C)CCN1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000647779208 419653179 /nfs/dbraw/zinc/65/31/79/419653179.db2.gz VRIOUSHUJFTNMN-STQMWFEESA-N 2 0 270.421 -0.031 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000647777391 419653528 /nfs/dbraw/zinc/65/35/28/419653528.db2.gz NSPKMHPHNDCQEA-CQSZACIVSA-N 2 0 268.405 -0.260 20 0 CBADRP CC[C@]1(C(=O)N(C)CCN2CC[NH2+]CC2)CCC[NH2+]1 ZINC000647777480 419654201 /nfs/dbraw/zinc/65/42/01/419654201.db2.gz SCVZUMANHRJECP-CQSZACIVSA-N 2 0 268.405 -0.118 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000647777413 419655732 /nfs/dbraw/zinc/65/57/32/419655732.db2.gz OZJSWTJLNQISHB-NSHDSACASA-N 2 0 254.378 -0.652 20 0 CBADRP [NH3+]C1(CC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000662771798 419713931 /nfs/dbraw/zinc/71/39/31/419713931.db2.gz BFMUUUGEYWDIOT-SECBINFHSA-N 2 0 294.321 -0.180 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000662633515 419656948 /nfs/dbraw/zinc/65/69/48/419656948.db2.gz LWLCQFNNSPDYMZ-GFCCVEGCSA-N 2 0 256.394 -0.262 20 0 CBADRP CN1CCN(C(=O)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647793275 419657320 /nfs/dbraw/zinc/65/73/20/419657320.db2.gz RNWVBEVIXZJZLR-MELADBBJSA-N 2 0 280.416 -0.262 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)C1(C)C[NH2+]C1 ZINC000662630718 419659197 /nfs/dbraw/zinc/65/91/97/419659197.db2.gz HUMLWQOFIRQHLA-UHFFFAOYSA-N 2 0 256.394 -0.404 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000662632126 419660065 /nfs/dbraw/zinc/66/00/65/419660065.db2.gz MVZVWDHNHNPPAA-GFCCVEGCSA-N 2 0 270.421 -0.016 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000662632875 419660251 /nfs/dbraw/zinc/66/02/51/419660251.db2.gz VKHOUTABXNCFBO-CYBMUJFWSA-N 2 0 270.421 -0.014 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)N2CC([NH+](C)C)C2)n1 ZINC000331740009 419660349 /nfs/dbraw/zinc/66/03/49/419660349.db2.gz AFCIHOMKDFJSRO-UHFFFAOYSA-N 2 0 280.376 0.222 20 0 CBADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000647816922 419660810 /nfs/dbraw/zinc/66/08/10/419660810.db2.gz DJXTVXPCTKEJCF-UHFFFAOYSA-N 3 0 254.378 -0.508 20 0 CBADRP O=C(N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1(O)C[NH2+]C1 ZINC000662805867 419729887 /nfs/dbraw/zinc/72/98/87/419729887.db2.gz ODAMKICLVFZRKY-WCQYABFASA-N 2 0 279.384 -0.204 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)CN1CCCC[C@@H]([NH3+])C1=O ZINC000648108439 419729991 /nfs/dbraw/zinc/72/99/91/419729991.db2.gz VDSFQKMTLUNKEP-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000662796858 419731193 /nfs/dbraw/zinc/73/11/93/419731193.db2.gz CUILZYIYVHYQQN-NWDGAFQWSA-N 2 0 271.361 -0.811 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000648108899 419731822 /nfs/dbraw/zinc/73/18/22/419731822.db2.gz AYVUTWPPRLNBIL-OPDFLTKYSA-N 2 0 296.415 -0.328 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[C@H]1c1ccc(F)cc1 ZINC000662817404 419735958 /nfs/dbraw/zinc/73/59/58/419735958.db2.gz WOAHUYDBYIQNJW-QWHCGFSZSA-N 2 0 293.342 -0.197 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662813545 419736328 /nfs/dbraw/zinc/73/63/28/419736328.db2.gz KMEYWUNOULSNJY-PSASIEDQSA-N 2 0 281.278 -0.367 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000648124011 419738874 /nfs/dbraw/zinc/73/88/74/419738874.db2.gz NVUYAOZOAWGLQH-KKOKHZNYSA-N 2 0 253.346 -0.426 20 0 CBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC000662829283 419739841 /nfs/dbraw/zinc/73/98/41/419739841.db2.gz BXUYROZQLQITPQ-VXGBXAGGSA-N 2 0 255.362 -0.144 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000648128722 419742951 /nfs/dbraw/zinc/74/29/51/419742951.db2.gz LWQRHYVBWGORRH-UMNHJUIQSA-N 2 0 270.377 -0.657 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000648136271 419747460 /nfs/dbraw/zinc/74/74/60/419747460.db2.gz OOSFZOXLNRJNHD-GRYCIOLGSA-N 2 0 252.362 -0.770 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000648136710 419749071 /nfs/dbraw/zinc/74/90/71/419749071.db2.gz FBROBTMPNZFLGG-FOGDFJRCSA-N 2 0 255.362 -0.132 20 0 CBADRP COC[C@]1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCC[NH2+]1 ZINC000648136445 419749946 /nfs/dbraw/zinc/74/99/46/419749946.db2.gz HHACXQOAAJHOOV-HNCHTBHHSA-N 2 0 253.346 -0.378 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000662942661 419786753 /nfs/dbraw/zinc/78/67/53/419786753.db2.gz YVJLCZYFCZIRET-GFCCVEGCSA-N 2 0 298.431 -0.018 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662857983 419753402 /nfs/dbraw/zinc/75/34/02/419753402.db2.gz SCIDWYKFCRNRJQ-CHWSQXEVSA-N 2 0 286.420 -0.650 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000648148144 419755628 /nfs/dbraw/zinc/75/56/28/419755628.db2.gz LYBHBHDZTKITNR-JQWIXIFHSA-N 2 0 284.404 -0.410 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NCC2([NH3+])CCCC2)CC1=O ZINC000662862607 419758613 /nfs/dbraw/zinc/75/86/13/419758613.db2.gz DJJQFVHAAGUVLF-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C[NH3+])CC1 ZINC000648152540 419759559 /nfs/dbraw/zinc/75/95/59/419759559.db2.gz CAXVBRJVCLHERG-LBPRGKRZSA-N 2 0 254.378 -0.426 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)COCC[NH3+])C1 ZINC000648157933 419762257 /nfs/dbraw/zinc/76/22/57/419762257.db2.gz VWFZFMIENRFEGQ-RYUDHWBXSA-N 2 0 255.362 -0.096 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@H]1C[C@]12CC[NH2+]C2 ZINC000662907343 419768082 /nfs/dbraw/zinc/76/80/82/419768082.db2.gz SYBZQBLHXRTEAQ-NFAWXSAZSA-N 2 0 278.400 -0.508 20 0 CBADRP CC1(C)CC[NH2+][C@H]1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000662905618 419769205 /nfs/dbraw/zinc/76/92/05/419769205.db2.gz FIWSMMYNEQAPBX-OLZOCXBDSA-N 2 0 280.416 -0.119 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)C1 ZINC000662910383 419769909 /nfs/dbraw/zinc/76/99/09/419769909.db2.gz NUVWJDYYYCOOGV-IJLUTSLNSA-N 2 0 255.362 -0.036 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648185936 419770487 /nfs/dbraw/zinc/77/04/87/419770487.db2.gz JNZJKQLZUHBHSQ-RYUDHWBXSA-N 2 0 294.399 -0.355 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648185677 419771222 /nfs/dbraw/zinc/77/12/22/419771222.db2.gz BKQWPQWLVSDELL-YPMHNXCESA-N 2 0 296.415 -0.123 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000648181077 419771317 /nfs/dbraw/zinc/77/13/17/419771317.db2.gz YVHUJFVXZGIZKU-QWRGUYRKSA-N 2 0 253.346 -0.234 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662921229 419775101 /nfs/dbraw/zinc/77/51/01/419775101.db2.gz HFFHGCSOBJBWJV-UHFFFAOYSA-N 2 0 286.420 -0.160 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000662943885 419787558 /nfs/dbraw/zinc/78/75/58/419787558.db2.gz CZQKURWPAZNVQD-VXGBXAGGSA-N 2 0 282.388 -0.654 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000662926556 419777091 /nfs/dbraw/zinc/77/70/91/419777091.db2.gz NCLGLYUJVQEYPX-PWSUYJOCSA-N 2 0 272.393 -0.425 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000662928432 419778587 /nfs/dbraw/zinc/77/85/87/419778587.db2.gz PRDNRFVXKDWBEN-LLVKDONJSA-N 2 0 284.404 -0.265 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000662929753 419780358 /nfs/dbraw/zinc/78/03/58/419780358.db2.gz IXVOHLQHMYBKDM-ZDUSSCGKSA-N 2 0 296.415 -0.120 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000662943914 419787695 /nfs/dbraw/zinc/78/76/95/419787695.db2.gz DSGVXVMYNKZUFR-OLZOCXBDSA-N 2 0 296.415 -0.264 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662773249 419718155 /nfs/dbraw/zinc/71/81/55/419718155.db2.gz IIJCIZBFFZARKO-SRVKXCTJSA-N 2 0 282.388 -0.430 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)CCO1 ZINC000662971526 419799568 /nfs/dbraw/zinc/79/95/68/419799568.db2.gz BDVHWXPNVDUBJE-ZIAGYGMSSA-N 2 0 299.415 -0.066 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCN(CCO)[C@@H](C)C2)CC[N@@H+]1C ZINC000648867571 419815690 /nfs/dbraw/zinc/81/56/90/419815690.db2.gz RYVAAWNACOBRJU-YNEHKIRRSA-N 2 0 269.389 -0.148 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000518500081 544601607 /nfs/dbraw/zinc/60/16/07/544601607.db2.gz ZBAMPBXTQOGYRT-YNEHKIRRSA-N 2 0 283.420 -0.199 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000649274850 419858863 /nfs/dbraw/zinc/85/88/63/419858863.db2.gz XEEKQLKHMWCLBI-STQMWFEESA-N 2 0 284.404 -0.802 20 0 CBADRP O=C(N1CCOC2(C[NH2+]C2)C1)C1([NH2+]C2CC2)CCC1 ZINC000663217975 419831107 /nfs/dbraw/zinc/83/11/07/419831107.db2.gz UZESHXJEFNJKIY-UHFFFAOYSA-N 2 0 265.357 -0.138 20 0 CBADRP C[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)[NH+](C)C ZINC000649074516 419834420 /nfs/dbraw/zinc/83/44/20/419834420.db2.gz KMRPSSKBGWFXEO-WDEREUQCSA-N 2 0 270.377 -0.485 20 0 CBADRP CC(C)[C@H](C(=O)N1CCOC2(C[NH2+]C2)C1)[C@H](C)[NH3+] ZINC000663493018 419842153 /nfs/dbraw/zinc/84/21/53/419842153.db2.gz ZVTAHBADKKTWFK-QWRGUYRKSA-N 2 0 255.362 -0.193 20 0 CBADRP C[NH+](C)CC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000649132472 419842708 /nfs/dbraw/zinc/84/27/08/419842708.db2.gz BIUZFIGFPRXDNK-UHFFFAOYSA-N 2 0 255.362 -0.129 20 0 CBADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000663498200 419843953 /nfs/dbraw/zinc/84/39/53/419843953.db2.gz MSFDKBPVSZUWDE-LLVKDONJSA-N 2 0 268.361 -0.453 20 0 CBADRP CC(C)[C@H](C(=O)N1CCOC2(C[NH2+]C2)C1)[C@@H](C)[NH3+] ZINC000663493017 419844104 /nfs/dbraw/zinc/84/41/04/419844104.db2.gz ZVTAHBADKKTWFK-MNOVXSKESA-N 2 0 255.362 -0.193 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1c[nH]cn1 ZINC000662953568 419792200 /nfs/dbraw/zinc/79/22/00/419792200.db2.gz MMHGBBGCKBIITO-LBPRGKRZSA-N 2 0 293.371 -0.031 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000662964557 419794775 /nfs/dbraw/zinc/79/47/75/419794775.db2.gz GKMPDNMXXCAHBK-NSHDSACASA-N 2 0 265.361 -0.314 20 0 CBADRP O=C(NCCCC[NH+]1CCOCC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000649294837 419865859 /nfs/dbraw/zinc/86/58/59/419865859.db2.gz HTWGGKXSGRBZFO-OCCSQVGLSA-N 2 0 267.373 -0.033 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000355286475 419867460 /nfs/dbraw/zinc/86/74/60/419867460.db2.gz XPRYVKRVSQQHKW-GFCCVEGCSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H]1C[N@@H+](CCCCNC(=O)COCC[NH3+])C[C@H](C)O1 ZINC000649302422 419870851 /nfs/dbraw/zinc/87/08/51/419870851.db2.gz OFZQXCNVLAQPFU-BETUJISGSA-N 2 0 287.404 -0.033 20 0 CBADRP C[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000649314753 419880031 /nfs/dbraw/zinc/88/00/31/419880031.db2.gz OFRDMLYWOPZRDF-WCQYABFASA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[C@@H]1O ZINC000664181139 419885087 /nfs/dbraw/zinc/88/50/87/419885087.db2.gz HFWWSNSGIGGDMB-IHRRRGAJSA-N 2 0 296.415 -0.213 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000357181143 419886219 /nfs/dbraw/zinc/88/62/19/419886219.db2.gz WTMLSHTXOQVDHO-VHSXEESVSA-N 2 0 256.350 -0.963 20 0 CBADRP C[C@@H](C(=O)N[C@@H](CO)C[NH+]1CCCCC1)[NH+](C)C ZINC000665887390 544618325 /nfs/dbraw/zinc/61/83/25/544618325.db2.gz WWOTWGXKTPSDSX-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000663776596 419861772 /nfs/dbraw/zinc/86/17/72/419861772.db2.gz SBSFKXVXBDSXTC-AVGNSLFASA-N 2 0 284.404 -0.213 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NCC[NH+]2CCCC2)nn1 ZINC000649280844 419862407 /nfs/dbraw/zinc/86/24/07/419862407.db2.gz PCSWXHHSVPAWER-UHFFFAOYSA-N 2 0 266.349 -0.548 20 0 CBADRP C[NH+](C)CC(=O)N1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000666266467 544631253 /nfs/dbraw/zinc/63/12/53/544631253.db2.gz SXUZQWCOUFFBBW-UHFFFAOYSA-N 2 0 282.388 -0.687 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649350469 419898460 /nfs/dbraw/zinc/89/84/60/419898460.db2.gz FOWOQZAHXRYUCQ-CYBMUJFWSA-N 2 0 298.431 -0.493 20 0 CBADRP CC1(OCC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C[NH2+]C1 ZINC000649345391 419899155 /nfs/dbraw/zinc/89/91/55/419899155.db2.gz YWFLWZQSYBBJIQ-ZDUSSCGKSA-N 2 0 297.399 -0.454 20 0 CBADRP C[C@@H](NC(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1nccn1C ZINC000667251668 544658229 /nfs/dbraw/zinc/65/82/29/544658229.db2.gz RPILXLAUWSEEML-MFKMUULPSA-N 2 0 281.360 -0.153 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000649359320 419902842 /nfs/dbraw/zinc/90/28/42/419902842.db2.gz UCARNSUXJOWTSK-KBPBESRZSA-N 2 0 280.416 -0.166 20 0 CBADRP C[C@@H](CNC(=O)COC1(C)C[NH2+]C1)N1CC[NH+](C)CC1 ZINC000649352129 419902866 /nfs/dbraw/zinc/90/28/66/419902866.db2.gz UINSFFCDTFHNEA-LBPRGKRZSA-N 2 0 284.404 -0.883 20 0 CBADRP CC[N@H+]1C[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)[C@@H](C)C1 ZINC000664384008 419903676 /nfs/dbraw/zinc/90/36/76/419903676.db2.gz AEQAPUBFFYPWHC-CYDGBPFRSA-N 2 0 284.404 -0.357 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)C1 ZINC000649352856 419904595 /nfs/dbraw/zinc/90/45/95/419904595.db2.gz QQCCZLRUANHQEK-KBXIAJHMSA-N 2 0 292.427 -0.310 20 0 CBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649351272 419905413 /nfs/dbraw/zinc/90/54/13/419905413.db2.gz FTIUJDNERKUMSR-KBXIAJHMSA-N 2 0 294.443 -0.158 20 0 CBADRP C[C@@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[NH+](C)C ZINC000649362484 419905599 /nfs/dbraw/zinc/90/55/99/419905599.db2.gz MXSXOIDCDIYGCT-NWDGAFQWSA-N 2 0 254.378 -0.557 20 0 CBADRP CC[NH+]1CCC(NC(=O)CN(C)[C@@H]2CC[NH2+]C2)CC1 ZINC000649409818 419909517 /nfs/dbraw/zinc/90/95/17/419909517.db2.gz NNDNFQVENGCLOR-CYBMUJFWSA-N 2 0 268.405 -0.119 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000649412542 419910522 /nfs/dbraw/zinc/91/05/22/419910522.db2.gz RYCOACAIRQMJME-AWEZNQCLSA-N 2 0 280.416 -0.164 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000668302548 544692042 /nfs/dbraw/zinc/69/20/42/544692042.db2.gz JTZPMZIFJBZFIB-ITGUQSILSA-N 2 0 269.389 -0.169 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C1([NH+](C)C)CC1 ZINC000668396265 544700371 /nfs/dbraw/zinc/70/03/71/544700371.db2.gz ZSOYIZYHZQCGDU-LBPRGKRZSA-N 2 0 268.405 -0.167 20 0 CBADRP CN(CC1C[NH+](C)C1)C(=O)NCCOCC[NH+](C)C ZINC000664732153 419914287 /nfs/dbraw/zinc/91/42/87/419914287.db2.gz QGNARVJJXRKDRB-UHFFFAOYSA-N 2 0 272.393 -0.232 20 0 CBADRP O=C([C@H]1C[NH2+]CCC1(F)F)N1CCOC2(C[NH2+]C2)C1 ZINC000664727748 419914306 /nfs/dbraw/zinc/91/43/06/419914306.db2.gz PQVLDORWCBLPKL-SECBINFHSA-N 2 0 275.299 -0.568 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000669403150 544748993 /nfs/dbraw/zinc/74/89/93/544748993.db2.gz MFNKAOPWFNMUBK-GFCCVEGCSA-N 2 0 269.393 -0.715 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NCC[N@H+](C)C2CC2)CCO1 ZINC000669477828 544750448 /nfs/dbraw/zinc/75/04/48/544750448.db2.gz JJUHUQNKOHUPSE-CMPLNLGQSA-N 2 0 270.377 -0.162 20 0 CBADRP CN1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)[C@H](C[NH3+])C1 ZINC000669491023 544750757 /nfs/dbraw/zinc/75/07/57/544750757.db2.gz IPBUOFCTNFIDHQ-ZIAGYGMSSA-N 2 0 295.431 -0.245 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H]2CCCC[NH2+]2)CC[NH2+]C1 ZINC000669509696 544751184 /nfs/dbraw/zinc/75/11/84/544751184.db2.gz ORBHWWGOFQXSKM-DGCLKSJQSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000669491299 544751191 /nfs/dbraw/zinc/75/11/91/544751191.db2.gz UBMOLMXIDFQNDA-CQSZACIVSA-N 2 0 295.431 -0.325 20 0 CBADRP CC(C)(C(=O)NC[C@H]1CCCC[NH2+]1)N1CC[NH2+]CC1 ZINC000669509589 544751444 /nfs/dbraw/zinc/75/14/44/544751444.db2.gz DWYBWVZMOZAGHY-GFCCVEGCSA-N 2 0 268.405 -0.072 20 0 CBADRP CN1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])[C@H](C[NH3+])C1 ZINC000669512655 544752830 /nfs/dbraw/zinc/75/28/30/544752830.db2.gz WQGKARFDVLZHFQ-YNEHKIRRSA-N 2 0 268.405 -0.005 20 0 CBADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000670407123 544784981 /nfs/dbraw/zinc/78/49/81/544784981.db2.gz KYRWUCRSZOCCIP-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP CNS(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000671683397 544830720 /nfs/dbraw/zinc/83/07/20/544830720.db2.gz LNLPSJPRZSNZLS-UHFFFAOYSA-N 2 0 278.422 -0.592 20 0 CBADRP CC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000665152925 419934436 /nfs/dbraw/zinc/93/44/36/419934436.db2.gz BGUWMZIAUDNRMT-SRVKXCTJSA-N 2 0 270.377 -0.603 20 0 CBADRP CC[N@H+](CC(=O)NC[C@H]1C[NH+]2CCN1CCC2)C1CC1 ZINC000670407930 544786975 /nfs/dbraw/zinc/78/69/75/544786975.db2.gz CTRYZHAHJBURCP-AWEZNQCLSA-N 2 0 280.416 -0.023 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000672100911 544839271 /nfs/dbraw/zinc/83/92/71/544839271.db2.gz RLCKVBHZWBLJTJ-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)[NH+](C)C1CC1 ZINC000672207853 544842114 /nfs/dbraw/zinc/84/21/14/544842114.db2.gz IKXAAXSOHLGFKL-RYUDHWBXSA-N 2 0 296.415 -0.204 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)n1 ZINC000665294604 419937752 /nfs/dbraw/zinc/93/77/52/419937752.db2.gz RTVJFNGVJBLHMO-RISCZKNCSA-N 2 0 293.371 -0.503 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665294666 419938779 /nfs/dbraw/zinc/93/87/79/419938779.db2.gz TZFMNQPEUCBGBZ-SCZZXKLOSA-N 2 0 251.334 -0.272 20 0 CBADRP C[N@H+](CCC1CC[NH2+]CC1)CC(=O)N1CC[NH2+]CC1 ZINC000359208615 419947907 /nfs/dbraw/zinc/94/79/07/419947907.db2.gz CHFWFRYGVVXUNM-UHFFFAOYSA-N 3 0 268.405 -0.260 20 0 CBADRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(=O)n(C)c1=O ZINC000650709265 419964737 /nfs/dbraw/zinc/96/47/37/419964737.db2.gz NSMNVAREZUADBG-WFASDCNBSA-N 2 0 292.383 -0.355 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651098878 419985008 /nfs/dbraw/zinc/98/50/08/419985008.db2.gz KIJTXEKBCURPIA-LBPRGKRZSA-N 2 0 299.419 -0.648 20 0 CBADRP COC(=O)[C@H]1C[C@H](NC(=O)CCC2CC[NH2+]CC2)CN1 ZINC000365789701 420067587 /nfs/dbraw/zinc/06/75/87/420067587.db2.gz MNRCWUTWDYKABI-NWDGAFQWSA-N 2 0 283.372 -0.214 20 0 CBADRP O[C@@H]1CCN(C2CN(c3ncnc4c3OCCN4)C2)C1 ZINC000651450159 420014726 /nfs/dbraw/zinc/01/47/26/420014726.db2.gz YMDILBNPUBDXOC-SNVBAGLBSA-N 2 0 277.328 -0.464 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000364193434 420030921 /nfs/dbraw/zinc/03/09/21/420030921.db2.gz MVWXVFNKKPKGQX-OLZOCXBDSA-N 2 0 263.341 -0.258 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)C2([NH3+])Cc3ccccc3C2)CCO1 ZINC000364160479 420031099 /nfs/dbraw/zinc/03/10/99/420031099.db2.gz KPPXXPPYAOWYBY-ZDUSSCGKSA-N 2 0 275.352 -0.331 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1C[C@@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000364159304 420031724 /nfs/dbraw/zinc/03/17/24/420031724.db2.gz GMIOFHVSCQXDHR-VXGBXAGGSA-N 2 0 294.330 -0.846 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2)CCO1 ZINC000364193431 420031936 /nfs/dbraw/zinc/03/19/36/420031936.db2.gz MVWXVFNKKPKGQX-CHWSQXEVSA-N 2 0 263.341 -0.258 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000364257559 420034453 /nfs/dbraw/zinc/03/44/53/420034453.db2.gz RVHFQEJDCPLEAC-GFCCVEGCSA-N 2 0 296.415 -0.025 20 0 CBADRP O=C(NCCC1CC[NH2+]CC1)NCC(=O)N1CC[NH2+]CC1 ZINC000652201898 420050716 /nfs/dbraw/zinc/05/07/16/420050716.db2.gz SOMGYKCYNRRMQX-UHFFFAOYSA-N 2 0 297.403 -0.893 20 0 CBADRP CCO[C@@H]1CN(C(=O)NCC2([NH3+])CCC2)C[C@H]1C[NH3+] ZINC000652212430 420051445 /nfs/dbraw/zinc/05/14/45/420051445.db2.gz ABDIBSWEOHPCRU-GHMZBOCLSA-N 2 0 270.377 -0.127 20 0 CBADRP CCO[C@@H]1CN(C(=O)NCC[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000652204850 420051511 /nfs/dbraw/zinc/05/15/11/420051511.db2.gz FKJYBWRBUYKKOD-YNEHKIRRSA-N 2 0 284.404 -0.009 20 0 CBADRP CCO[C@@H]1CN(C(=O)NC[C@@H]([NH3+])C(C)C)C[C@H]1C[NH3+] ZINC000652206868 420051551 /nfs/dbraw/zinc/05/15/51/420051551.db2.gz WKEFNALBPYFNDT-IJLUTSLNSA-N 2 0 272.393 -0.025 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NCCC2(C[NH3+])CC2)CCO1 ZINC000652232016 420053792 /nfs/dbraw/zinc/05/37/92/420053792.db2.gz OBONMMFYKUQGFG-WDEREUQCSA-N 2 0 270.377 -0.127 20 0 CBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000652336925 420056415 /nfs/dbraw/zinc/05/64/15/420056415.db2.gz OWCJWSHWYNZXRR-ZFWWWQNUSA-N 2 0 299.415 -0.472 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)NCCC[NH3+])cn1 ZINC000652612108 420070429 /nfs/dbraw/zinc/07/04/29/420070429.db2.gz IPMZEAHKOBXUIW-UHFFFAOYSA-N 2 0 254.338 -0.085 20 0 CBADRP C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CCC[NH2+]C1 ZINC000653046764 420110061 /nfs/dbraw/zinc/11/00/61/420110061.db2.gz OFMCGVVPPRXSEP-UHXUPSOCSA-N 2 0 267.373 -0.273 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1CCC[NH2+]CC1 ZINC000653045447 420110238 /nfs/dbraw/zinc/11/02/38/420110238.db2.gz NPTUYOHZGRMERK-GFCCVEGCSA-N 2 0 254.378 -0.603 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653045359 420110306 /nfs/dbraw/zinc/11/03/06/420110306.db2.gz GCVOLFQMZHZYTL-OLZOCXBDSA-N 2 0 266.389 -0.462 20 0 CBADRP CCCN(C(=O)[C@@H](N)CC[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000653049147 420110524 /nfs/dbraw/zinc/11/05/24/420110524.db2.gz WEWLSSCOJLKSKT-RYUDHWBXSA-N 2 0 256.394 -0.134 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653045812 420110704 /nfs/dbraw/zinc/11/07/04/420110704.db2.gz NPXARZZTDULPBK-OLZOCXBDSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000653056053 420111826 /nfs/dbraw/zinc/11/18/26/420111826.db2.gz SGLVERMIRZWOIE-QJPTWQEYSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[C@@H](C)NC(=O)CCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653074395 420113258 /nfs/dbraw/zinc/11/32/58/420113258.db2.gz GQGIVQOEUUSJCY-MNOVXSKESA-N 2 0 272.393 -0.314 20 0 CBADRP CN(C)C(=O)N1CCN(C(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC000653068384 420113639 /nfs/dbraw/zinc/11/36/39/420113639.db2.gz AKRLXMPQQRYHJS-LLVKDONJSA-N 2 0 285.392 -0.909 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NCCNC(=O)c1cccs1 ZINC000653070941 420113832 /nfs/dbraw/zinc/11/38/32/420113832.db2.gz ORIVFWWUVNBWHC-JTQLQIEISA-N 2 0 298.412 -0.127 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000653071934 420113870 /nfs/dbraw/zinc/11/38/70/420113870.db2.gz XTKQMIXYZWEMGA-NWDGAFQWSA-N 2 0 282.388 -0.465 20 0 CBADRP O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000367829863 420115782 /nfs/dbraw/zinc/11/57/82/420115782.db2.gz CSJWFFFFNDXFIC-AAEUAGOBSA-N 2 0 267.373 -0.177 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653105490 420115766 /nfs/dbraw/zinc/11/57/66/420115766.db2.gz YEUTXTKKTLCCIO-OBJOEFQTSA-N 2 0 267.373 -0.177 20 0 CBADRP O=C(NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000367829864 420116032 /nfs/dbraw/zinc/11/60/32/420116032.db2.gz CSJWFFFFNDXFIC-DGCLKSJQSA-N 2 0 267.373 -0.177 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653110425 420116475 /nfs/dbraw/zinc/11/64/75/420116475.db2.gz IJZJZSFNFBWFBL-ABHRYQDASA-N 2 0 279.384 -0.035 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000653112612 420116580 /nfs/dbraw/zinc/11/65/80/420116580.db2.gz DEDAAPZDFMJJSX-CMPLNLGQSA-N 2 0 254.378 -0.382 20 0 CBADRP O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000367832909 420116988 /nfs/dbraw/zinc/11/69/88/420116988.db2.gz RUBRBEWNCBJCFC-GJZGRUSLSA-N 2 0 289.379 -0.043 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)C1CC1 ZINC000653112193 420117015 /nfs/dbraw/zinc/11/70/15/420117015.db2.gz PPESIBRSYKHGDJ-OBJOEFQTSA-N 2 0 267.373 -0.321 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000653112281 420117286 /nfs/dbraw/zinc/11/72/86/420117286.db2.gz SXSAMCMYMWJJTG-VXGBXAGGSA-N 2 0 256.394 -0.278 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)NCCC[NH+]1CCCC1 ZINC000653107052 420117323 /nfs/dbraw/zinc/11/73/23/420117323.db2.gz VVSKHKYWNWGFMH-LBPRGKRZSA-N 2 0 256.394 -0.133 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653104587 420117435 /nfs/dbraw/zinc/11/74/35/420117435.db2.gz MEVIYFWSXTUYSC-AAEUAGOBSA-N 2 0 255.362 -0.320 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653105146 420117458 /nfs/dbraw/zinc/11/74/58/420117458.db2.gz HSVWKIDIQVPUAN-RYUDHWBXSA-N 2 0 256.394 -0.134 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000653105019 420117721 /nfs/dbraw/zinc/11/77/21/420117721.db2.gz BMAZGZUWTQHZBG-LLVKDONJSA-N 2 0 258.410 -0.031 20 0 CBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC([NH+](C)C)C2)C1 ZINC000367920460 420118742 /nfs/dbraw/zinc/11/87/42/420118742.db2.gz IJNILDLJQOHTCR-LBPRGKRZSA-N 2 0 255.362 -0.132 20 0 CBADRP C[C@H]1CC[N@H+](CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653122253 420119342 /nfs/dbraw/zinc/11/93/42/420119342.db2.gz RKGZKOFWNKHRGY-OBJOEFQTSA-N 2 0 267.373 -0.320 20 0 CBADRP CN(C(=O)[C@@H](N)CC[NH+](C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000653117132 420119670 /nfs/dbraw/zinc/11/96/70/420119670.db2.gz AMXHAPOYZXQDAN-STQMWFEESA-N 2 0 268.405 -0.040 20 0 CBADRP C[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)[N@H+](C)C1CC1 ZINC000653116412 420120481 /nfs/dbraw/zinc/12/04/81/420120481.db2.gz GEMYUYRSGYQNOZ-SUNKGSAMSA-N 2 0 267.373 -0.179 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[N@@H+]1C ZINC000653119804 420120588 /nfs/dbraw/zinc/12/05/88/420120588.db2.gz WWNLOMZPAOWVRQ-MNXVOIDGSA-N 2 0 267.373 -0.179 20 0 CBADRP O=C(N1CC[C@@H]([NH+]2CCCC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653115160 420120608 /nfs/dbraw/zinc/12/06/08/420120608.db2.gz FQIWMTRVOYXWCI-GUTXKFCHSA-N 2 0 279.384 -0.081 20 0 CBADRP [NH3+][C@H]1CCC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653133723 420121665 /nfs/dbraw/zinc/12/16/65/420121665.db2.gz XJGKGMLILOIJDD-ZPFDUUQYSA-N 2 0 253.346 -0.392 20 0 CBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1[nH]nc2c1C[NH2+]CC2 ZINC000368047723 420122555 /nfs/dbraw/zinc/12/25/55/420122555.db2.gz UVWTZXCMJIXSKL-YUMQZZPRSA-N 2 0 267.308 -0.515 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000653148751 420122793 /nfs/dbraw/zinc/12/27/93/420122793.db2.gz KCRMUSQGZAYHIP-NWDGAFQWSA-N 2 0 256.394 -0.182 20 0 CBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653142323 420123090 /nfs/dbraw/zinc/12/30/90/420123090.db2.gz HIRCEGICWARJGR-WDMOLILDSA-N 2 0 265.357 -0.519 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000653147197 420123172 /nfs/dbraw/zinc/12/31/72/420123172.db2.gz SVDIRYAUFWXBFH-RYUDHWBXSA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000368191809 420125392 /nfs/dbraw/zinc/12/53/92/420125392.db2.gz CDYFRVAUVGSVQZ-YNEHKIRRSA-N 2 0 294.399 -0.783 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000653176029 420126411 /nfs/dbraw/zinc/12/64/11/420126411.db2.gz ILCWEGORRSPORK-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000653180223 420126515 /nfs/dbraw/zinc/12/65/15/420126515.db2.gz MTSOMTUDIOTRIK-UHFFFAOYSA-N 2 0 285.388 -0.408 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000653168700 420126723 /nfs/dbraw/zinc/12/67/23/420126723.db2.gz NBRAAWZFZMCJSW-MBHSVXNSSA-N 2 0 268.405 -0.005 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCC1(C[NH3+])CC1 ZINC000653220977 420128965 /nfs/dbraw/zinc/12/89/65/420128965.db2.gz BTJGTQVQBQIZEU-NSHDSACASA-N 2 0 270.377 -0.669 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)C[C@H]1C[NH3+] ZINC000653247450 420130018 /nfs/dbraw/zinc/13/00/18/420130018.db2.gz AZKZFMDKDFRDSQ-CZXHOFHRSA-N 2 0 267.373 -0.192 20 0 CBADRP CCO[C@@H]1CN(C(=O)C[C@@H](C[NH3+])OC)C[C@H]1C[NH3+] ZINC000653247688 420130210 /nfs/dbraw/zinc/13/02/10/420130210.db2.gz NMLKGPWDIWUBEQ-OUAUKWLOSA-N 2 0 259.350 -0.828 20 0 CBADRP C[C@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)[C@@H]1CC[NH3+] ZINC000653240788 420130339 /nfs/dbraw/zinc/13/03/39/420130339.db2.gz SMKWBFNLSKZXTR-QJPTWQEYSA-N 2 0 255.362 -0.049 20 0 CBADRP CCO[C@@H]1CN(C(=O)C[NH2+]CC2CC2)C[C@H]1C[NH3+] ZINC000653244171 420130396 /nfs/dbraw/zinc/13/03/96/420130396.db2.gz ZWJJKICPWDCIDR-VXGBXAGGSA-N 2 0 255.362 -0.192 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC2(C)C)C[C@H]1C[NH3+] ZINC000653247594 420130449 /nfs/dbraw/zinc/13/04/49/420130449.db2.gz JMZJBOHQMHGBPP-MXWKQRLJSA-N 2 0 255.362 -0.193 20 0 CBADRP CCO[C@@H]1CN(C(=O)c2ccnc(C[NH3+])c2)C[C@H]1C[NH3+] ZINC000653247954 420130484 /nfs/dbraw/zinc/13/04/84/420130484.db2.gz ZFPGILXSWSISLC-DGCLKSJQSA-N 2 0 278.356 -0.024 20 0 CBADRP CN1CCC[C@H]([NH2+][C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000653283975 420137982 /nfs/dbraw/zinc/13/79/82/420137982.db2.gz UTUIIGQYXLQEID-RYUDHWBXSA-N 2 0 282.388 -0.641 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@H]2CO)C1=O ZINC000653285637 420138005 /nfs/dbraw/zinc/13/80/05/420138005.db2.gz UKXLBMGKOCBUSV-WDEREUQCSA-N 2 0 269.345 -0.868 20 0 CBADRP C[C@@H](CO)[NH2+][C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000653285193 420138055 /nfs/dbraw/zinc/13/80/55/420138055.db2.gz HJWPPGXHZMXHOV-VHSXEESVSA-N 2 0 257.334 -0.964 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652692205 420072430 /nfs/dbraw/zinc/07/24/30/420072430.db2.gz MCGPYXLVDAZMBB-UHFFFAOYSA-N 2 0 284.404 -0.310 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000652696703 420073982 /nfs/dbraw/zinc/07/39/82/420073982.db2.gz PEJBHCDWHJMNIX-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000652697630 420074324 /nfs/dbraw/zinc/07/43/24/420074324.db2.gz JRPBQVIRSVZBHV-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000652706134 420075269 /nfs/dbraw/zinc/07/52/69/420075269.db2.gz VWTOTFPBXXRFTG-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652724454 420077009 /nfs/dbraw/zinc/07/70/09/420077009.db2.gz BUNGDMQJCALTTG-UHFFFAOYSA-N 2 0 284.404 -0.488 20 0 CBADRP C[NH+](C)CCN1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1=O ZINC000652733692 420078816 /nfs/dbraw/zinc/07/88/16/420078816.db2.gz NVECRENPFHULOK-LBPRGKRZSA-N 2 0 282.388 -0.830 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652731338 420078831 /nfs/dbraw/zinc/07/88/31/420078831.db2.gz IDKGSJKATOAULO-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)[NH+]1CCCC1 ZINC000653347591 420141319 /nfs/dbraw/zinc/14/13/19/420141319.db2.gz HBQGAHWQCNVBPF-NEPJUHHUSA-N 2 0 256.394 -0.134 20 0 CBADRP CC[C@@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[NH+](C)C ZINC000652734858 420079178 /nfs/dbraw/zinc/07/91/78/420079178.db2.gz YIHZTVXXUZWLLQ-LBPRGKRZSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652732547 420079863 /nfs/dbraw/zinc/07/98/63/420079863.db2.gz NQLBPNNANXJNNT-GFCCVEGCSA-N 2 0 284.404 -0.264 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000652731501 420079875 /nfs/dbraw/zinc/07/98/75/420079875.db2.gz MDXMUQKXRZVFON-GFCCVEGCSA-N 2 0 282.388 -0.510 20 0 CBADRP CC(C)[C@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[NH+](C)C ZINC000652734697 420080401 /nfs/dbraw/zinc/08/04/01/420080401.db2.gz TUOPKBSBYNCJIE-CQSZACIVSA-N 2 0 298.431 -0.195 20 0 CBADRP C[NH+](C)CCCCC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652735509 420081335 /nfs/dbraw/zinc/08/13/35/420081335.db2.gz MMEIAFQDZRJLSY-UHFFFAOYSA-N 2 0 298.431 -0.049 20 0 CBADRP C[C@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000366345338 420082393 /nfs/dbraw/zinc/08/23/93/420082393.db2.gz IJZVMEYTEPJBSV-DGCLKSJQSA-N 2 0 272.368 -0.560 20 0 CBADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCOCC1 ZINC000382231621 420199906 /nfs/dbraw/zinc/19/99/06/420199906.db2.gz UXNWQJNZQOKNAO-BETUJISGSA-N 2 0 267.373 -0.223 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000388501591 420205263 /nfs/dbraw/zinc/20/52/63/420205263.db2.gz HJSNPUOXEOKBIH-VXGBXAGGSA-N 2 0 291.417 -0.669 20 0 CBADRP CN(C(=O)C[C@@H]1COCC[NH2+]1)[C@@H]1C[NH+]2CCC1CC2 ZINC000388624661 420205532 /nfs/dbraw/zinc/20/55/32/420205532.db2.gz ULPIALUWSQVXML-CHWSQXEVSA-N 2 0 267.373 -0.083 20 0 CBADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000389417434 420206053 /nfs/dbraw/zinc/20/60/53/420206053.db2.gz MTJIEVINRHDFBK-UTUOFQBUSA-N 2 0 291.417 -0.671 20 0 CBADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)NC(N)=O)C[C@H]1C[NH3+] ZINC000397377726 420214577 /nfs/dbraw/zinc/21/45/77/420214577.db2.gz JDBYACBHKJIUNH-OPRDCNLKSA-N 2 0 256.350 -0.123 20 0 CBADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)NC(N)=O)C[C@@H]1C[NH3+] ZINC000397377720 420214828 /nfs/dbraw/zinc/21/48/28/420214828.db2.gz JDBYACBHKJIUNH-BBBLOLIVSA-N 2 0 256.350 -0.123 20 0 CBADRP [NH2+]=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCOCC1 ZINC000369018278 420150012 /nfs/dbraw/zinc/15/00/12/420150012.db2.gz WXFRUCXNSUGBBS-NEPJUHHUSA-N 2 0 268.361 -0.294 20 0 CBADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CC(N)=O)C1 ZINC000653563594 420150406 /nfs/dbraw/zinc/15/04/06/420150406.db2.gz UQAZWESICTYGRR-NWDGAFQWSA-N 2 0 257.378 -0.114 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H]2C[NH+](C)C[C@@H]21 ZINC000653694688 420156982 /nfs/dbraw/zinc/15/69/82/420156982.db2.gz NNWWWLNOGWDWPZ-RDBSUJKOSA-N 2 0 271.405 -0.439 20 0 CBADRP COCCN(C)C[C@@H](O)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000653694621 420157834 /nfs/dbraw/zinc/15/78/34/420157834.db2.gz LGVDHZSJWUUESA-NDBYEHHHSA-N 2 0 258.362 -0.904 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653778276 420162436 /nfs/dbraw/zinc/16/24/36/420162436.db2.gz PQHCHKLHKAHSLL-ZDUSSCGKSA-N 2 0 286.420 -0.995 20 0 CBADRP CN1C(=O)CC[C@@H]1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000672930623 544863162 /nfs/dbraw/zinc/86/31/62/544863162.db2.gz MHPWGCCYCJLWBC-GFCCVEGCSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1C[NH3+] ZINC000397248494 420216264 /nfs/dbraw/zinc/21/62/64/420216264.db2.gz BSECIBNWLWCBTO-IJLUTSLNSA-N 2 0 294.399 -0.111 20 0 CBADRP C[N@H+](C[C@H](O)CN1CC[NH+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000405273576 420227192 /nfs/dbraw/zinc/22/71/92/420227192.db2.gz WAAFUINGBCNGQC-MJBXVCDLSA-N 2 0 269.389 -0.808 20 0 CBADRP CCO[C@@H]1CN(CC(=O)N2C[C@@H](C)O[C@H](C)C2)C[C@H]1C[NH3+] ZINC000405559204 420228062 /nfs/dbraw/zinc/22/80/62/420228062.db2.gz CPOCVLZVVQUJBO-AAVRWANBSA-N 2 0 299.415 -0.082 20 0 CBADRP CCO[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C[NH3+] ZINC000405546054 420228825 /nfs/dbraw/zinc/22/88/25/420228825.db2.gz WKRBGNAMGDXMJG-VXGBXAGGSA-N 2 0 271.361 -0.859 20 0 CBADRP CC1CC[NH+](CC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000655296142 420236999 /nfs/dbraw/zinc/23/69/99/420236999.db2.gz IPDDMLMLTHEMDW-UONOGXRCSA-N 2 0 281.400 -0.004 20 0 CBADRP CCC[C@@H](C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)C ZINC000655297425 420239890 /nfs/dbraw/zinc/23/98/90/420239890.db2.gz ZAIIJCWIZOYRIK-XQQFMLRXSA-N 2 0 269.389 -0.006 20 0 CBADRP CC[NH2+]CCNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000418321075 420242124 /nfs/dbraw/zinc/24/21/24/420242124.db2.gz XRVGVBHHNHCTFK-GFCCVEGCSA-N 2 0 272.393 -0.258 20 0 CBADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419095224 420242763 /nfs/dbraw/zinc/24/27/63/420242763.db2.gz AJFNSCYGQZFEPD-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418948310 420242846 /nfs/dbraw/zinc/24/28/46/420242846.db2.gz QFFQSPKDDKOCJG-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418948305 420243152 /nfs/dbraw/zinc/24/31/52/420243152.db2.gz QFFQSPKDDKOCJG-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419130645 420243322 /nfs/dbraw/zinc/24/33/22/420243322.db2.gz BIYFBZQATWFEOX-IJLUTSLNSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418952064 420243392 /nfs/dbraw/zinc/24/33/92/420243392.db2.gz UXZFEKKRLDFICQ-ZYHUDNBSSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000418937324 420243401 /nfs/dbraw/zinc/24/34/01/420243401.db2.gz KQKXFYAFSWMFJG-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC[NH2+]C ZINC000418930723 420243513 /nfs/dbraw/zinc/24/35/13/420243513.db2.gz GBLOZFDTFCTHJW-SNVBAGLBSA-N 2 0 258.366 -0.832 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000418948823 420243574 /nfs/dbraw/zinc/24/35/74/420243574.db2.gz QZXIMTWCWZIFRN-WDEREUQCSA-N 2 0 272.393 -0.456 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418948349 420243964 /nfs/dbraw/zinc/24/39/64/420243964.db2.gz QLZCRWGTRZOUIW-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000418948820 420244198 /nfs/dbraw/zinc/24/41/98/420244198.db2.gz QZXIMTWCWZIFRN-GHMZBOCLSA-N 2 0 272.393 -0.456 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419698027 420245146 /nfs/dbraw/zinc/24/51/46/420245146.db2.gz RRLPHQXQEUBVCM-WDEREUQCSA-N 2 0 282.388 -0.417 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000419221647 420245372 /nfs/dbraw/zinc/24/53/72/420245372.db2.gz JVYCVKLZSKLIKX-UHFFFAOYSA-N 2 0 282.388 -0.568 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419863001 420245836 /nfs/dbraw/zinc/24/58/36/420245836.db2.gz DKQFJGKVXBEIEF-RWMBFGLXSA-N 2 0 296.415 -0.027 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655411772 420245985 /nfs/dbraw/zinc/24/59/85/420245985.db2.gz WNOFYBXWNCIITM-HIFRSBDPSA-N 2 0 280.416 -0.212 20 0 CBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419846165 420246074 /nfs/dbraw/zinc/24/60/74/420246074.db2.gz RGSBQXHZLDOJKL-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CN1CCN(C(=O)C[C@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000655419322 420247545 /nfs/dbraw/zinc/24/75/45/420247545.db2.gz SICKEUWJYVCADS-NEPJUHHUSA-N 2 0 254.378 -0.523 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000420015881 420247968 /nfs/dbraw/zinc/24/79/68/420247968.db2.gz MMXCRGNIWGXGCS-RYUDHWBXSA-N 2 0 284.404 -0.362 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@@H](C[NH3+])C1 ZINC000655418514 420248130 /nfs/dbraw/zinc/24/81/30/420248130.db2.gz ACYKPRYTHYRHGW-SGMGOOAPSA-N 2 0 266.389 -0.523 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000419883358 420248131 /nfs/dbraw/zinc/24/81/31/420248131.db2.gz DDLBWARBVRGNGY-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000420162735 420248968 /nfs/dbraw/zinc/24/89/68/420248968.db2.gz YRJYHMGFMICFQZ-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP COCC[NH2+]CCNC(=O)c1conc1C(C)(C)[NH3+] ZINC000655451321 420251540 /nfs/dbraw/zinc/25/15/40/420251540.db2.gz GULKXNJBXYNRCR-UHFFFAOYSA-N 2 0 270.333 -0.166 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CCO1 ZINC000655453682 420252145 /nfs/dbraw/zinc/25/21/45/420252145.db2.gz NTKIOKAMTQQFGJ-NTZNESFSSA-N 2 0 253.346 -0.438 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655464342 420253916 /nfs/dbraw/zinc/25/39/16/420253916.db2.gz FXSNUQDQQOTIRM-OUCADQQQSA-N 2 0 267.373 -0.129 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000422976251 420255348 /nfs/dbraw/zinc/25/53/48/420255348.db2.gz UTNHDIFHVZDZES-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000423058391 420255628 /nfs/dbraw/zinc/25/56/28/420255628.db2.gz BZQAUKFXSNYFCF-UHFFFAOYSA-N 2 0 286.420 -0.290 20 0 CBADRP CC(C)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430607149 420271836 /nfs/dbraw/zinc/27/18/36/420271836.db2.gz XKYYCPNFKMUAEL-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP COCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430604983 420271968 /nfs/dbraw/zinc/27/19/68/420271968.db2.gz RVVPSVTURUPGDU-GFCCVEGCSA-N 2 0 255.362 -0.223 20 0 CBADRP CC(C)N1CC[C@H]([N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000430629330 420272520 /nfs/dbraw/zinc/27/25/20/420272520.db2.gz PWYKYFVINSOGLA-OLZOCXBDSA-N 2 0 296.415 -0.217 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000430901673 420272978 /nfs/dbraw/zinc/27/29/78/420272978.db2.gz VXDJXGBUGGQLBO-ZIAGYGMSSA-N 2 0 299.415 -0.018 20 0 CBADRP COCC[NH2+]CC(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000430704995 420273309 /nfs/dbraw/zinc/27/33/09/420273309.db2.gz KFBYFLOFXCTSMX-UHFFFAOYSA-N 2 0 275.312 0.442 20 0 CBADRP CCCC[C@@H]([NH3+])C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000442721454 420290466 /nfs/dbraw/zinc/29/04/66/420290466.db2.gz VFHZYPVYRMESQR-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000436871388 420281772 /nfs/dbraw/zinc/28/17/72/420281772.db2.gz HPCVKINHTJWSSY-NSHDSACASA-N 2 0 282.392 0.516 20 0 CBADRP C[C@H](O)C[N@H+](CCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000655948950 420283157 /nfs/dbraw/zinc/28/31/57/420283157.db2.gz IXYKFUVEOKMWLH-NSHDSACASA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@@H](O)C[N@H+](CCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000655948949 420283230 /nfs/dbraw/zinc/28/32/30/420283230.db2.gz IXYKFUVEOKMWLH-LLVKDONJSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655970712 420283982 /nfs/dbraw/zinc/28/39/82/420283982.db2.gz XABCYBOPSRSMNE-NOOOWODRSA-N 2 0 270.377 -0.427 20 0 CBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655970714 420284118 /nfs/dbraw/zinc/28/41/18/420284118.db2.gz XABCYBOPSRSMNE-WISYIIOYSA-N 2 0 270.377 -0.427 20 0 CBADRP [NH3+]C[C@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000655964526 420284636 /nfs/dbraw/zinc/28/46/36/420284636.db2.gz WVRCQXHDZSXRIK-TUAOUCFPSA-N 2 0 268.361 -0.816 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655966216 420285178 /nfs/dbraw/zinc/28/51/78/420285178.db2.gz QIQSWOYEJFJERV-FRRDWIJNSA-N 2 0 282.388 -0.411 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656305582 420306049 /nfs/dbraw/zinc/30/60/49/420306049.db2.gz SFRLGMFFCDLETQ-UPJWGTAASA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](Cn2cc(C[C@@H]([NH3+])CO)nn2)C1 ZINC000656448993 420309991 /nfs/dbraw/zinc/30/99/91/420309991.db2.gz TTWFBIOJIUWNQI-OCCSQVGLSA-N 2 0 297.403 -0.503 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2C[C@H]3COC[C@]3(C)C2)C1=O ZINC000656477938 420311600 /nfs/dbraw/zinc/31/16/00/420311600.db2.gz ODRYBYAFCNFPMM-HUBLWGQQSA-N 2 0 295.383 -0.356 20 0 CBADRP CN(CCC[NH3+])Cc1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656467853 420312121 /nfs/dbraw/zinc/31/21/21/420312121.db2.gz SXWRRCOGHMUXBZ-LBPRGKRZSA-N 2 0 252.366 -0.017 20 0 CBADRP CCOC(=O)CCCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000516785204 420363011 /nfs/dbraw/zinc/36/30/11/420363011.db2.gz HDPWYAJKIJYPOU-NEPJUHHUSA-N 2 0 283.372 -0.036 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(C[C@H]1C[NH2+]CCO1)C2=O ZINC000656611521 420318459 /nfs/dbraw/zinc/31/84/59/420318459.db2.gz KHIXRLJPIVZXCW-WDMOLILDSA-N 2 0 296.371 -0.586 20 0 CBADRP CN1CC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCC1=O ZINC000656790774 420322352 /nfs/dbraw/zinc/32/23/52/420322352.db2.gz AELMQZWUFPPSFT-GFCCVEGCSA-N 2 0 282.388 -0.652 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000516768634 420363686 /nfs/dbraw/zinc/36/36/86/420363686.db2.gz NODDTRUUJJRBQQ-RQJHMYQMSA-N 2 0 257.256 -0.254 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000516760715 420363688 /nfs/dbraw/zinc/36/36/88/420363688.db2.gz FEHHTNHYUAIQNG-AAEUAGOBSA-N 2 0 255.362 -0.272 20 0 CBADRP C[C@H](Cn1cncn1)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000657873045 420364162 /nfs/dbraw/zinc/36/41/62/420364162.db2.gz QXLANAYGROFRPD-OLZOCXBDSA-N 2 0 294.403 -0.156 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000673531290 544878713 /nfs/dbraw/zinc/87/87/13/544878713.db2.gz LJNJZBDPOLEJLD-LBPRGKRZSA-N 2 0 257.378 -0.101 20 0 CBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000656019169 420292774 /nfs/dbraw/zinc/29/27/74/420292774.db2.gz BFESMZDIQXUIRO-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656021654 420293168 /nfs/dbraw/zinc/29/31/68/420293168.db2.gz FPVZLGZANHEFRH-PHIMTYICSA-N 2 0 270.377 -0.832 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656023189 420293252 /nfs/dbraw/zinc/29/32/52/420293252.db2.gz XYFYWBVTTXGNLD-GARJFASQSA-N 2 0 270.377 -0.846 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000656042030 420294604 /nfs/dbraw/zinc/29/46/04/420294604.db2.gz UHJDUMSPGAIGSO-UPJWGTAASA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656042890 420294881 /nfs/dbraw/zinc/29/48/81/420294881.db2.gz WNOPTNUEFVMAQH-RWMBFGLXSA-N 2 0 296.415 -0.347 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656040601 420295515 /nfs/dbraw/zinc/29/55/15/420295515.db2.gz MLYYFDPLZYOTKE-TXEJJXNPSA-N 2 0 298.431 -0.114 20 0 CBADRP CN1CCN(C(=O)C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000656198205 420302480 /nfs/dbraw/zinc/30/24/80/420302480.db2.gz MSAVFULAVHCPSA-RYUDHWBXSA-N 3 0 254.378 -0.380 20 0 CBADRP C[C@@H](C[C@H]1COCC[NH2+]1)N1CCN(c2nncn2C)CC1 ZINC000656199805 420302560 /nfs/dbraw/zinc/30/25/60/420302560.db2.gz DRZVVDAVJAYQRM-STQMWFEESA-N 2 0 294.403 -0.296 20 0 CBADRP CC[C@@H]1CN(C[C@@](C)(O)C[NH2+]C)CC[N@@H+]1CCOC ZINC000517034839 420369829 /nfs/dbraw/zinc/36/98/29/420369829.db2.gz ABNLJXLBERWQRO-KGLIPLIRSA-N 2 0 273.421 -0.001 20 0 CBADRP CC[NH+](CC)CCO[C@H]1CCN([C@@H]2CC(=O)NC2=O)C1 ZINC000517167963 420372094 /nfs/dbraw/zinc/37/20/94/420372094.db2.gz DFGGHYZRNYGUDT-NWDGAFQWSA-N 2 0 283.372 -0.166 20 0 CBADRP O=C(Cc1cn2ccccc2n1)NC[C@H]1C[NH2+]CCO1 ZINC000517154259 420372509 /nfs/dbraw/zinc/37/25/09/420372509.db2.gz MLRUAWSBFNLSQJ-GFCCVEGCSA-N 2 0 274.324 -0.019 20 0 CBADRP O=C(Cc1cn2ccccc2n1)NC[C@@H]1C[NH2+]CCO1 ZINC000517154260 420372731 /nfs/dbraw/zinc/37/27/31/420372731.db2.gz MLRUAWSBFNLSQJ-LBPRGKRZSA-N 2 0 274.324 -0.019 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000517234740 420374348 /nfs/dbraw/zinc/37/43/48/420374348.db2.gz OMCIFPPQJYIZQD-NWDGAFQWSA-N 2 0 292.387 -0.146 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000518167854 420379535 /nfs/dbraw/zinc/37/95/35/420379535.db2.gz KLOUOCWIGGEJAI-GRYCIOLGSA-N 2 0 254.378 -0.476 20 0 CBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCN2CC[NH2+]CC2)C1(C)C ZINC000519603141 420383000 /nfs/dbraw/zinc/38/30/00/420383000.db2.gz ZUDDIKDQNNKWOU-DOMZBBRYSA-N 2 0 298.431 -0.460 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000519641460 420384381 /nfs/dbraw/zinc/38/43/81/420384381.db2.gz GIAPEOVSFLORDG-YPMHNXCESA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)[NH+](C)C ZINC000674263171 544900364 /nfs/dbraw/zinc/90/03/64/544900364.db2.gz BFQWHVBJIMVIBT-AAEUAGOBSA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@H](CNC(=O)[C@H](C)[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000674263797 544901025 /nfs/dbraw/zinc/90/10/25/544901025.db2.gz AIIWVSKPJUUJHC-OLZOCXBDSA-N 2 0 270.421 -0.064 20 0 CBADRP COC[C@]1(C(=O)NCC[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000516921509 420366641 /nfs/dbraw/zinc/36/66/41/420366641.db2.gz LVLYJOWIIOXZQS-YPMHNXCESA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CCC[N@H+](C)C2)CC1=O ZINC000673660533 544883107 /nfs/dbraw/zinc/88/31/07/544883107.db2.gz ASPUNBNTOLYJJT-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP CN1CCN(CC(=O)N2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000676341150 544948410 /nfs/dbraw/zinc/94/84/10/544948410.db2.gz HZXBPBFPEPMUIH-CQSZACIVSA-N 2 0 296.415 -0.833 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCN([C@@H]3CCOC3)CC2)C1 ZINC000676341412 544948884 /nfs/dbraw/zinc/94/88/84/544948884.db2.gz RLCQJHCUWQOQQM-CHWSQXEVSA-N 2 0 267.373 -0.129 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCN([C@H]3CCOC3)CC2)C1 ZINC000676341415 544948892 /nfs/dbraw/zinc/94/88/92/544948892.db2.gz RLCQJHCUWQOQQM-OLZOCXBDSA-N 2 0 267.373 -0.129 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)CC[C@H]1F ZINC000659389215 420418354 /nfs/dbraw/zinc/41/83/54/420418354.db2.gz PRKIARKIMHNTEL-OPRDCNLKSA-N 2 0 261.366 -0.021 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000659452506 420420271 /nfs/dbraw/zinc/42/02/71/420420271.db2.gz CLJKMOCHCOBJBB-CHWSQXEVSA-N 2 0 285.436 -0.095 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659451526 420420935 /nfs/dbraw/zinc/42/09/35/420420935.db2.gz GGTSEOKMSHLGAX-OPFPJEHXSA-N 2 0 295.431 -0.245 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000548017413 420421755 /nfs/dbraw/zinc/42/17/55/420421755.db2.gz AMKFPEMKGDWMSH-WDEREUQCSA-N 2 0 295.412 0.451 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000659457756 420421859 /nfs/dbraw/zinc/42/18/59/420421859.db2.gz KHKHCIOKDZYJOP-CYBMUJFWSA-N 2 0 285.436 -0.079 20 0 CBADRP CC[NH2+]CCCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659505860 420424252 /nfs/dbraw/zinc/42/42/52/420424252.db2.gz RXIBJAAZBAPNLK-UHFFFAOYSA-N 2 0 282.348 -0.560 20 0 CBADRP COc1nc(NCC[NH+](C)C)nc(NCC[NH+](C)C)n1 ZINC000271396519 230200710 /nfs/dbraw/zinc/20/07/10/230200710.db2.gz TVONPFOTSKDCET-UHFFFAOYSA-N 2 0 283.380 -0.173 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC[C@H]1F ZINC000659388315 420417484 /nfs/dbraw/zinc/41/74/84/420417484.db2.gz BIPHLPOTERBZOL-HBNTYKKESA-N 2 0 296.350 -0.459 20 0 CBADRP COCC1(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC000659388471 420417673 /nfs/dbraw/zinc/41/76/73/420417673.db2.gz IEFKDGUOQIQRHH-GHMZBOCLSA-N 2 0 273.352 -0.100 20 0 CBADRP C[C@@H]1CN(CCO)CCN1C(=O)NCC1([NH3+])CCCC1 ZINC000659576540 420434788 /nfs/dbraw/zinc/43/47/88/420434788.db2.gz DACMFPAZPZEOSE-GFCCVEGCSA-N 2 0 284.404 -0.034 20 0 CBADRP CCO[C@@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)C[C@H]1C[NH3+] ZINC000659610943 420436996 /nfs/dbraw/zinc/43/69/96/420436996.db2.gz LWOBXITXWJCGCT-CBKZZEEASA-N 2 0 282.388 -0.256 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000659611305 420437263 /nfs/dbraw/zinc/43/72/63/420437263.db2.gz NLKTUUYXVYAIQH-JVWICGRDSA-N 2 0 293.415 -0.573 20 0 CBADRP O=C(NCC[N@@H+]1CCCOCC1)NCC12CC(C1)C[NH2+]2 ZINC000659495496 420424509 /nfs/dbraw/zinc/42/45/09/420424509.db2.gz AGOOFFLOQGNNGU-UHFFFAOYSA-N 2 0 282.388 -0.240 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659511572 420425456 /nfs/dbraw/zinc/42/54/56/420425456.db2.gz GOMWAHFXWFUABU-UHFFFAOYSA-N 2 0 296.375 -0.172 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CCc2nnnn2C)CN1C1CC1 ZINC000678498352 545017910 /nfs/dbraw/zinc/01/79/10/545017910.db2.gz ICHCQDQOXMLACS-UWVGGRQHSA-N 2 0 250.350 -0.033 20 0 CBADRP COC[C@]1(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000659542401 420430940 /nfs/dbraw/zinc/43/09/40/420430940.db2.gz NZRKTGSAKOSIDW-NQBHXWOUSA-N 2 0 288.367 -0.164 20 0 CBADRP COC[C@]1(CNC(=O)NCC23CC(C2)C[NH2+]3)CCC[NH2+]1 ZINC000659543253 420431020 /nfs/dbraw/zinc/43/10/20/420431020.db2.gz UYVOUBXYERNAIB-HRDQMINSSA-N 2 0 282.388 -0.194 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCCO1)NCC12CC(C1)C[NH2+]2 ZINC000659548508 420432377 /nfs/dbraw/zinc/43/23/77/420432377.db2.gz HZOBGUHJCCPWRU-QWKFWESOSA-N 2 0 268.361 -0.584 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659550651 420432602 /nfs/dbraw/zinc/43/26/02/420432602.db2.gz RNPOWXUKCNAJIH-LLVKDONJSA-N 2 0 287.408 -0.615 20 0 CBADRP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000377530880 230292192 /nfs/dbraw/zinc/29/21/92/230292192.db2.gz RTBLXSDJPZQWOL-JHJVBQTASA-N 2 0 266.389 -0.380 20 0 CBADRP CO[C@@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000659564027 420433844 /nfs/dbraw/zinc/43/38/44/420433844.db2.gz BNQZJIMRZYJKMW-GARJFASQSA-N 2 0 256.350 -0.504 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000659753942 420468238 /nfs/dbraw/zinc/46/82/38/420468238.db2.gz OHVGFYCMAAKPSL-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000659753656 420468595 /nfs/dbraw/zinc/46/85/95/420468595.db2.gz QZWVHYBDHVLOSO-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659755707 420468921 /nfs/dbraw/zinc/46/89/21/420468921.db2.gz ZFNRNOQVQUBCHT-CMPLNLGQSA-N 2 0 282.388 -0.594 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000659756855 420469368 /nfs/dbraw/zinc/46/93/68/420469368.db2.gz VPQPOTNXTZZUCY-NWDGAFQWSA-N 2 0 284.404 -0.491 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000659608451 420437640 /nfs/dbraw/zinc/43/76/40/420437640.db2.gz DDKPIUVIICQNFF-NEPJUHHUSA-N 2 0 270.377 -0.160 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])n1 ZINC000659628453 420438745 /nfs/dbraw/zinc/43/87/45/420438745.db2.gz FHVGDDMHKIPSSG-NXEZZACHSA-N 2 0 294.359 -0.290 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659615486 420439106 /nfs/dbraw/zinc/43/91/06/420439106.db2.gz BLTBHEGHPRDTAF-YXMLORGKSA-N 2 0 270.377 -0.650 20 0 CBADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]CC2(CC(N)=O)CC2)C[C@H](C)O1 ZINC000564724177 420440015 /nfs/dbraw/zinc/44/00/15/420440015.db2.gz XSBKUHSYYZHQIH-XQQFMLRXSA-N 2 0 299.415 -0.298 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000659636182 420441353 /nfs/dbraw/zinc/44/13/53/420441353.db2.gz NHRFQCRIWUVWSN-GARJFASQSA-N 2 0 256.350 -0.945 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000659643097 420443562 /nfs/dbraw/zinc/44/35/62/420443562.db2.gz NNSAZGXXKRYBME-NWDGAFQWSA-N 2 0 269.393 -0.717 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](c1ccco1)N(C)C ZINC000659673165 420446534 /nfs/dbraw/zinc/44/65/34/420446534.db2.gz HSSBGZUUSYDBMP-MNOVXSKESA-N 2 0 296.371 -0.277 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000659680356 420447380 /nfs/dbraw/zinc/44/73/80/420447380.db2.gz WMLKNVUGIFISEO-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000659681260 420447525 /nfs/dbraw/zinc/44/75/25/420447525.db2.gz SCRZXPOPZZNZOZ-FRRDWIJNSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000659681258 420447810 /nfs/dbraw/zinc/44/78/10/420447810.db2.gz SCRZXPOPZZNZOZ-AVGNSLFASA-N 2 0 298.431 -0.053 20 0 CBADRP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659679807 420447907 /nfs/dbraw/zinc/44/79/07/420447907.db2.gz FBMPPTDCZCOVBX-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC[N@@H+]1C ZINC000659677664 420447937 /nfs/dbraw/zinc/44/79/37/420447937.db2.gz GUQKGFMDOPWMGG-MNOVXSKESA-N 2 0 284.404 -0.219 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659686532 420449032 /nfs/dbraw/zinc/44/90/32/420449032.db2.gz FHSLYVMRVHIYDK-VTWZXRTESA-N 2 0 292.383 -0.793 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659687104 420449208 /nfs/dbraw/zinc/44/92/08/420449208.db2.gz QOSUJDQDVBREHA-ZJUUUORDSA-N 2 0 268.361 -0.937 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659687330 420449285 /nfs/dbraw/zinc/44/92/85/420449285.db2.gz TZDZCSICFNCONW-WCQYABFASA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000659688921 420449540 /nfs/dbraw/zinc/44/95/40/420449540.db2.gz OJKWJEYCIVFPNO-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000659688920 420450157 /nfs/dbraw/zinc/45/01/57/420450157.db2.gz OJKWJEYCIVFPNO-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000659687887 420450259 /nfs/dbraw/zinc/45/02/59/420450259.db2.gz LDIPHTOAEVUVSV-LLVKDONJSA-N 2 0 284.404 -0.441 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659693041 420450293 /nfs/dbraw/zinc/45/02/93/420450293.db2.gz ZFVXGVFRYAYRRK-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NCC2([NH3+])CCCC2)CCC1 ZINC000659694927 420450587 /nfs/dbraw/zinc/45/05/87/420450587.db2.gz SXSNOWGTBSDKQW-UHFFFAOYSA-N 2 0 296.415 -0.025 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000659697003 420450642 /nfs/dbraw/zinc/45/06/42/420450642.db2.gz FTEODYYIYXXHMC-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000659695123 420451168 /nfs/dbraw/zinc/45/11/68/420451168.db2.gz RVEOMIQFMWFZHS-SCVCMEIPSA-N 2 0 282.388 -0.691 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000659699526 420451623 /nfs/dbraw/zinc/45/16/23/420451623.db2.gz WIXCFAMYRQQDGV-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)C1CC1 ZINC000659699437 420451862 /nfs/dbraw/zinc/45/18/62/420451862.db2.gz QBXSASROUHUPMN-UHFFFAOYSA-N 2 0 294.399 -0.463 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000659702558 420452730 /nfs/dbraw/zinc/45/27/30/420452730.db2.gz PVFYUKSFLNTGCR-VHSXEESVSA-N 2 0 270.377 -0.691 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000659702012 420452847 /nfs/dbraw/zinc/45/28/47/420452847.db2.gz KVNHUGUWGXTXTJ-NWDGAFQWSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659703299 420452913 /nfs/dbraw/zinc/45/29/13/420452913.db2.gz YEAMTFHOYXOERZ-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659705147 420452940 /nfs/dbraw/zinc/45/29/40/420452940.db2.gz VGDCRDCYCUJEOD-WDEREUQCSA-N 2 0 282.388 -0.689 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000659704340 420452946 /nfs/dbraw/zinc/45/29/46/420452946.db2.gz KJLDWITVKLBMDW-JQWIXIFHSA-N 2 0 282.388 -0.689 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000659702027 420453143 /nfs/dbraw/zinc/45/31/43/420453143.db2.gz LNAHCEZQARUZHP-NSHDSACASA-N 2 0 296.415 -0.299 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000659704285 420453439 /nfs/dbraw/zinc/45/34/39/420453439.db2.gz JLKYTLMOZMPOJB-LBPRGKRZSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659707147 420453764 /nfs/dbraw/zinc/45/37/64/420453764.db2.gz AVUIDRRFFLXNBL-GHMZBOCLSA-N 2 0 272.393 -0.443 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000659708814 420453780 /nfs/dbraw/zinc/45/37/80/420453780.db2.gz ABZBRKPVICSRRI-NEPJUHHUSA-N 2 0 296.415 -0.156 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000659709756 420453938 /nfs/dbraw/zinc/45/39/38/420453938.db2.gz LNYISYJTNPKCKK-NWDGAFQWSA-N 2 0 296.415 -0.075 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH3+])C1 ZINC000659709871 420453970 /nfs/dbraw/zinc/45/39/70/420453970.db2.gz MNXAJLRNNYXRRH-SNVBAGLBSA-N 2 0 270.377 -0.560 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000659708222 420454083 /nfs/dbraw/zinc/45/40/83/420454083.db2.gz PYDWPSJYBLWANE-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659708293 420454546 /nfs/dbraw/zinc/45/45/46/420454546.db2.gz PJTYWPHDLOXCSE-LLVKDONJSA-N 2 0 272.393 -0.441 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000659710458 420454791 /nfs/dbraw/zinc/45/47/91/420454791.db2.gz PRVNKKYLFLLHTN-ZDUSSCGKSA-N 2 0 296.415 -0.155 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000659711335 420454910 /nfs/dbraw/zinc/45/49/10/420454910.db2.gz ZQEIFNFGFHFDNQ-TUAOUCFPSA-N 2 0 282.388 -0.547 20 0 CBADRP [NH3+]CCCNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659709951 420455234 /nfs/dbraw/zinc/45/52/34/420455234.db2.gz NSVXHQNYOFLQMS-UHFFFAOYSA-N 2 0 296.415 -0.310 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000659716108 420457053 /nfs/dbraw/zinc/45/70/53/420457053.db2.gz VLMZGRSTDJJIDS-OLZOCXBDSA-N 2 0 296.415 -0.297 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000659716110 420457065 /nfs/dbraw/zinc/45/70/65/420457065.db2.gz VLMZGRSTDJJIDS-STQMWFEESA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC1C[NH2+]C1 ZINC000659714615 420457094 /nfs/dbraw/zinc/45/70/94/420457094.db2.gz NQBDCNHKJZWVQC-LBPRGKRZSA-N 2 0 296.415 -0.441 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659716124 420457847 /nfs/dbraw/zinc/45/78/47/420457847.db2.gz WEIXUFZCDUCGMY-WDEREUQCSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000659718396 420457869 /nfs/dbraw/zinc/45/78/69/420457869.db2.gz NXOQNEYGCGUHGT-CHWSQXEVSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659718312 420458183 /nfs/dbraw/zinc/45/81/83/420458183.db2.gz OXYUBMGHTAHWCQ-NXEZZACHSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659717032 420458275 /nfs/dbraw/zinc/45/82/75/420458275.db2.gz ZBRNECGVHOQNAH-NSHDSACASA-N 2 0 296.415 -0.312 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000659720868 420459420 /nfs/dbraw/zinc/45/94/20/420459420.db2.gz FXPGMIXGGGQZCY-AVGNSLFASA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659726720 420459802 /nfs/dbraw/zinc/45/98/02/420459802.db2.gz MZVZLPDLIQCAAO-ZIEZEBLDSA-N 2 0 294.399 -0.608 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000659726286 420459807 /nfs/dbraw/zinc/45/98/07/420459807.db2.gz IXKCTUYCXQEEAO-RWMBFGLXSA-N 2 0 294.399 -0.402 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000659726118 420459839 /nfs/dbraw/zinc/45/98/39/420459839.db2.gz BXNMBAHNPXLIHV-VOMCLLRMSA-N 2 0 284.404 -0.301 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC[C@H]21 ZINC000659732239 420461858 /nfs/dbraw/zinc/46/18/58/420461858.db2.gz LJUNWYRFDXEUEU-RWMBFGLXSA-N 2 0 294.399 -0.593 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659735229 420462461 /nfs/dbraw/zinc/46/24/61/420462461.db2.gz QKCVAXOFWILOJM-LLVKDONJSA-N 2 0 282.388 -0.416 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000659738179 420463309 /nfs/dbraw/zinc/46/33/09/420463309.db2.gz BEEVMHMUEKHYQL-MNOVXSKESA-N 2 0 268.361 -0.854 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000659739302 420464424 /nfs/dbraw/zinc/46/44/24/420464424.db2.gz QLBPHKAIAZTFRO-XQQFMLRXSA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000659739506 420464556 /nfs/dbraw/zinc/46/45/56/420464556.db2.gz WLXRDRKWPYYXAF-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659741252 420464582 /nfs/dbraw/zinc/46/45/82/420464582.db2.gz SOHCWRUAPKGTLV-AVERBVTBSA-N 2 0 294.399 -0.593 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000659739250 420464968 /nfs/dbraw/zinc/46/49/68/420464968.db2.gz PCVQOVSXAQZITP-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)C1 ZINC000659739303 420465340 /nfs/dbraw/zinc/46/53/40/420465340.db2.gz QMSGXKYVNMDCIF-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659750078 420467030 /nfs/dbraw/zinc/46/70/30/420467030.db2.gz MKLRGLRVHNAHRO-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000659749961 420467042 /nfs/dbraw/zinc/46/70/42/420467042.db2.gz KYSDTSYOCSIBQO-TUAOUCFPSA-N 2 0 282.388 -0.594 20 0 CBADRP CC(C)[N@H+](C)C[C@@H](O)CN[C@@H](CO)c1cnn(C)c1 ZINC000660271661 420488324 /nfs/dbraw/zinc/48/83/24/420488324.db2.gz ZWBMTZJDPGDESN-STQMWFEESA-N 2 0 270.377 -0.256 20 0 CBADRP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+](CCO)[C@@H](C)C1 ZINC000660332986 420489559 /nfs/dbraw/zinc/48/95/59/420489559.db2.gz ZCEBSFQWCSGOKD-KBPBESRZSA-N 2 0 273.421 -0.314 20 0 CBADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(C(N)=O)C1 ZINC000660460863 420491560 /nfs/dbraw/zinc/49/15/60/420491560.db2.gz JFPIPROIHFLPHV-AAEUAGOBSA-N 2 0 257.378 -0.115 20 0 CBADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000517922057 260319026 /nfs/dbraw/zinc/31/90/26/260319026.db2.gz DGLHYWIANWXXGG-MRXNPFEDSA-N 3 0 298.475 -0.084 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000517934344 260320425 /nfs/dbraw/zinc/32/04/25/260320425.db2.gz ZIUBBBNCYYHUPD-HNNXBMFYSA-N 2 0 288.395 -0.105 20 0 CBADRP CCC[C@H](O)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000517936200 260320986 /nfs/dbraw/zinc/32/09/86/260320986.db2.gz SHZJSOQSFLLDNL-STQMWFEESA-N 2 0 259.394 -0.655 20 0 CBADRP CNC(=O)CCCC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000517936964 260321355 /nfs/dbraw/zinc/32/13/55/260321355.db2.gz FLFQYMOYTYUWIQ-JTQLQIEISA-N 2 0 256.350 -0.996 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000518023476 260336036 /nfs/dbraw/zinc/33/60/36/260336036.db2.gz PSOBAPPEJXSPFB-KYOSRNDESA-N 2 0 296.415 -0.165 20 0 CBADRP CO[C@@H](C)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000518965198 265252601 /nfs/dbraw/zinc/25/26/01/265252601.db2.gz KEAFXDRLJVHXFS-QWHCGFSZSA-N 2 0 259.394 -0.391 20 0 CBADRP CO[C@H](C)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000518965196 265253239 /nfs/dbraw/zinc/25/32/39/265253239.db2.gz KEAFXDRLJVHXFS-CHWSQXEVSA-N 2 0 259.394 -0.391 20 0 CBADRP C[C@@]1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCC[NH2+]1 ZINC000519781207 265590969 /nfs/dbraw/zinc/59/09/69/265590969.db2.gz ZETZTUMGWNWUTJ-FZMZJTMJSA-N 2 0 282.388 -0.558 20 0 CBADRP CC[NH+](CC)CCNC(=O)NCCN1CC[NH2+]CC1 ZINC000243723084 269582505 /nfs/dbraw/zinc/58/25/05/269582505.db2.gz PPCJFLBRJSLMCB-UHFFFAOYSA-N 2 0 271.409 -0.467 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C2(COC)CC[NH2+]CC2)C1 ZINC000516649545 269591236 /nfs/dbraw/zinc/59/12/36/269591236.db2.gz ROFSKGBGMYSRHS-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP COC(=O)c1cn([C@@H]2CC[N@H+](CCOCC[NH3+])C2)nn1 ZINC000517236741 269596492 /nfs/dbraw/zinc/59/64/92/269596492.db2.gz NKGVZLGNLPQLGU-SNVBAGLBSA-N 2 0 283.332 -0.713 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529336236 269631429 /nfs/dbraw/zinc/63/14/29/269631429.db2.gz GMMYRQYPMGGNHM-VWYCJHECSA-N 2 0 256.350 -0.728 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529342809 269631775 /nfs/dbraw/zinc/63/17/75/269631775.db2.gz NIUPMFAZIRWFFP-VWYCJHECSA-N 2 0 256.350 -0.599 20 0 CBADRP CC1(NC(=O)NC[C@@H]2COCC[NH2+]2)CC[NH2+]CC1 ZINC000529385788 269634209 /nfs/dbraw/zinc/63/42/09/269634209.db2.gz HGOOIDXDTGYZCJ-SNVBAGLBSA-N 2 0 256.350 -0.584 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)C[C@@]1(C)C[NH3+] ZINC000423061982 287840906 /nfs/dbraw/zinc/84/09/06/287840906.db2.gz LYEBHXNYFMWYDB-BXUZGUMPSA-N 2 0 284.404 -0.550 20 0 CBADRP CC(C)C[NH+]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000037821706 275890218 /nfs/dbraw/zinc/89/02/18/275890218.db2.gz ABUFQVCVMJCGNO-NEPJUHHUSA-N 2 0 255.362 -0.491 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000420176767 276268747 /nfs/dbraw/zinc/26/87/47/276268747.db2.gz XOCHEWGVCLPUFH-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339638427 276943165 /nfs/dbraw/zinc/94/31/65/276943165.db2.gz RFFHTLYJVPXXHD-UHFFFAOYSA-N 2 0 296.415 -0.249 20 0 CBADRP COCCNC(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368917384 277228407 /nfs/dbraw/zinc/22/84/07/277228407.db2.gz CORVPCQVYPRFOA-MNOVXSKESA-N 2 0 256.350 -0.390 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000419888029 277271243 /nfs/dbraw/zinc/27/12/43/277271243.db2.gz FNPFJEAVKCPTSZ-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000419973764 277281533 /nfs/dbraw/zinc/28/15/33/277281533.db2.gz IJEFZKQPHHBIAX-NWDGAFQWSA-N 2 0 284.404 -0.489 20 0 CBADRP CC(C)C[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(N)=O ZINC000053298987 277379074 /nfs/dbraw/zinc/37/90/74/277379074.db2.gz XZTJZUHDCUFOAM-UHFFFAOYSA-N 2 0 270.377 -0.748 20 0 CBADRP C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2C[NH2+]CCO2)C[C@@H]1C[NH3+] ZINC000422535763 278005652 /nfs/dbraw/zinc/00/56/52/278005652.db2.gz DCPACFOCCAKWNE-RHYQMDGZSA-N 2 0 255.362 -0.193 20 0 CBADRP C[C@@]1(CNC(=O)NCCN2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000418293256 278122631 /nfs/dbraw/zinc/12/26/31/278122631.db2.gz FFDJIWOZHFVRTE-CQSZACIVSA-N 2 0 283.420 -0.420 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[N@H+](C)C1CC1 ZINC000419590818 278268144 /nfs/dbraw/zinc/26/81/44/278268144.db2.gz QLTOZZWVBUPBAL-MNOVXSKESA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2COC[C@H]2O)CC1 ZINC000361293834 278289406 /nfs/dbraw/zinc/28/94/06/278289406.db2.gz AQLJPSWFSMFTMK-IACUBPJLSA-N 2 0 272.389 -0.229 20 0 CBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419898250 278365355 /nfs/dbraw/zinc/36/53/55/278365355.db2.gz WPMIGBPEEAKIKS-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H]1C[C@H](C)N(C(=O)[C@H]2C[NH2+]CCO2)C[C@@H]1C[NH3+] ZINC000422535761 278954347 /nfs/dbraw/zinc/95/43/47/278954347.db2.gz DCPACFOCCAKWNE-NOOOWODRSA-N 2 0 255.362 -0.193 20 0 CBADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351516670 278969533 /nfs/dbraw/zinc/96/95/33/278969533.db2.gz HEECTOOWBOEZDJ-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000420137237 279031048 /nfs/dbraw/zinc/03/10/48/279031048.db2.gz DLDVRLDTZNKTGB-AGIUHOORSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419992105 279096839 /nfs/dbraw/zinc/09/68/39/279096839.db2.gz HLEUKWDKYSRMKZ-GFCCVEGCSA-N 2 0 286.420 -0.066 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419741746 279105157 /nfs/dbraw/zinc/10/51/57/279105157.db2.gz ZKTNNNYEBNTLJJ-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000217721488 279131658 /nfs/dbraw/zinc/13/16/58/279131658.db2.gz VHMRMAVFDGKQLB-IJLUTSLNSA-N 2 0 257.378 -0.198 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000418952046 279126770 /nfs/dbraw/zinc/12/67/70/279126770.db2.gz UWPZMMZGYKSPNQ-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418949232 279126861 /nfs/dbraw/zinc/12/68/61/279126861.db2.gz ROWUJABJMVPAKE-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419786063 279155402 /nfs/dbraw/zinc/15/54/02/279155402.db2.gz UBGCAEFDNOIQGX-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])C1 ZINC000420018975 279166368 /nfs/dbraw/zinc/16/63/68/279166368.db2.gz ZFXNIHMRXNTMMB-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000419987080 279166482 /nfs/dbraw/zinc/16/64/82/279166482.db2.gz CUKPEAHKQAGORP-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)C[C@H]([NH3+])CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000414662177 279177986 /nfs/dbraw/zinc/17/79/86/279177986.db2.gz ZANNYVLSUCWFMY-LBPRGKRZSA-N 2 0 256.394 -0.277 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)C1CC1 ZINC000419520650 279190131 /nfs/dbraw/zinc/19/01/31/279190131.db2.gz IGMRRCYGPJRCCI-NSHDSACASA-N 2 0 282.388 -0.593 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000332365330 279283120 /nfs/dbraw/zinc/28/31/20/279283120.db2.gz UTOFTTOUECIDAQ-GFCCVEGCSA-N 2 0 282.388 -0.510 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000418495368 279287805 /nfs/dbraw/zinc/28/78/05/279287805.db2.gz UMKFIMOUBAPHFY-VXGBXAGGSA-N 2 0 272.393 -0.273 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000092630012 279299666 /nfs/dbraw/zinc/29/96/66/279299666.db2.gz QBFASUNBUKHKGP-WOPDTQHZSA-N 2 0 255.362 -0.348 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339636193 279306187 /nfs/dbraw/zinc/30/61/87/279306187.db2.gz CGPNHEZAQJMJEI-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419310807 288126323 /nfs/dbraw/zinc/12/63/23/288126323.db2.gz BCXSUIHXDHHMMA-JIMOISOXSA-N 2 0 294.399 -0.561 20 0 CBADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@H]3C[NH2+]CCO3)CC2)CCO1 ZINC000431032345 288133648 /nfs/dbraw/zinc/13/36/48/288133648.db2.gz BLOBDRJHJIVLTN-TZMCWYRMSA-N 2 0 297.399 -0.314 20 0 CBADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000418375719 288146261 /nfs/dbraw/zinc/14/62/61/288146261.db2.gz HXSQSXIBIYTZHY-NEPJUHHUSA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000357930625 288159388 /nfs/dbraw/zinc/15/93/88/288159388.db2.gz OSAURQQLFGKNPN-CRWXNKLISA-N 2 0 299.415 -0.285 20 0 CBADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000353210729 280067795 /nfs/dbraw/zinc/06/77/95/280067795.db2.gz ZYKQBLIWHQLUHD-JSGCOSHPSA-N 2 0 296.415 -0.489 20 0 CBADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000368115071 280069882 /nfs/dbraw/zinc/06/98/82/280069882.db2.gz MEHFDTUGYHPSKT-RHYQMDGZSA-N 2 0 255.362 -0.683 20 0 CBADRP O=C([C@@H]1CC[NH2+]C1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372099714 280095333 /nfs/dbraw/zinc/09/53/33/280095333.db2.gz XVPYIYNXXKBFJZ-UPJWGTAASA-N 2 0 267.373 -0.347 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000370771800 280104349 /nfs/dbraw/zinc/10/43/49/280104349.db2.gz IDQQCUMGICUNAB-FQUUOJAGSA-N 2 0 279.384 -0.083 20 0 CBADRP C[C@H]1[C@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)CCC[N@@H+]1C ZINC000343294742 280116621 /nfs/dbraw/zinc/11/66/21/280116621.db2.gz JOSFMTYKMVODLU-WCQYABFASA-N 2 0 296.415 -0.204 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000343609547 280143721 /nfs/dbraw/zinc/14/37/21/280143721.db2.gz WPRIWMQTYSZSCR-YPMHNXCESA-N 2 0 253.346 -0.423 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000418739577 280165078 /nfs/dbraw/zinc/16/50/78/280165078.db2.gz YVKHRASHYCCQIO-NEPJUHHUSA-N 2 0 272.393 -0.130 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423839281 280273278 /nfs/dbraw/zinc/27/32/78/280273278.db2.gz CYORCKPIBCVVAL-ZDUSSCGKSA-N 2 0 284.404 -0.362 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422534788 280273859 /nfs/dbraw/zinc/27/38/59/280273859.db2.gz BNVBCKNYHAQBSH-UHXUPSOCSA-N 2 0 298.431 -0.082 20 0 CBADRP CC[C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CC[N@@H+]1C[C@H](C)O ZINC000262367724 280351603 /nfs/dbraw/zinc/35/16/03/280351603.db2.gz LGQXAQBOIDTFTO-BFHYXJOUSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)CC[N@@H+]1C[C@H](C)O ZINC000430696185 280351661 /nfs/dbraw/zinc/35/16/61/280351661.db2.gz IUNGYQVFXQQRRO-BFHYXJOUSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[C@H]1CN(C(=O)COC2C[NH2+]C2)CC[N@@H+]1C[C@H](C)O ZINC000430743301 281132889 /nfs/dbraw/zinc/13/28/89/281132889.db2.gz QWQGZZQIALWVCM-RYUDHWBXSA-N 2 0 285.388 -0.722 20 0 CBADRP CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC[N@@H+]1CCOC ZINC000424142023 281141964 /nfs/dbraw/zinc/14/19/64/281141964.db2.gz HRARUIYNDYWXHZ-TUAOUCFPSA-N 2 0 255.362 -0.097 20 0 CBADRP CC1(C)CN(C(=O)NC[C@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000418774711 281175475 /nfs/dbraw/zinc/17/54/75/281175475.db2.gz VOSUFOQXFOPOKZ-SNVBAGLBSA-N 2 0 256.350 -0.632 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000332234104 288306775 /nfs/dbraw/zinc/30/67/75/288306775.db2.gz NAOXMLQFHYXYFQ-WOPDTQHZSA-N 2 0 280.372 -0.759 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479277524 288310967 /nfs/dbraw/zinc/31/09/67/288310967.db2.gz YQOCELAMSDVQCB-WRWGMCAJSA-N 2 0 253.346 -0.596 20 0 CBADRP CC[C@]1(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CCC[NH2+]1 ZINC000122160124 281302745 /nfs/dbraw/zinc/30/27/45/281302745.db2.gz FUUSCTCJMWCLAO-GXTWGEPZSA-N 2 0 268.405 -0.119 20 0 CBADRP C[NH+](C)C/C=C\C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000493320920 282023267 /nfs/dbraw/zinc/02/32/67/282023267.db2.gz MWWPFVOVKJTREB-NQHOJNORSA-N 2 0 267.373 -0.323 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CCC1 ZINC000419249858 289043642 /nfs/dbraw/zinc/04/36/42/289043642.db2.gz ZPDRFWBOKIXEBY-LLVKDONJSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@@H]1[C@H](NC(=O)N2CCO[C@H](C[NH3+])C2)CCC[N@@H+]1C ZINC000417993285 289053296 /nfs/dbraw/zinc/05/32/96/289053296.db2.gz AKBFWVQZFMSHAN-IJLUTSLNSA-N 2 0 270.377 -0.162 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420024276 289127821 /nfs/dbraw/zinc/12/78/21/289127821.db2.gz XWTYNGCUTASTHN-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000246805840 289195776 /nfs/dbraw/zinc/19/57/76/289195776.db2.gz BZAMHAMCSYIUDT-KBPBESRZSA-N 2 0 271.405 -0.437 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)CCO1 ZINC000332421775 289200759 /nfs/dbraw/zinc/20/07/59/289200759.db2.gz CMTLWNZSJOARGQ-VXGBXAGGSA-N 2 0 255.362 -0.097 20 0 CBADRP COCC[C@]1(C(=O)NCCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000378185519 292725451 /nfs/dbraw/zinc/72/54/51/292725451.db2.gz XIZWLQHCUXHMGG-CQSZACIVSA-N 2 0 284.404 -0.976 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000091431355 289290151 /nfs/dbraw/zinc/29/01/51/289290151.db2.gz VWOUBGQBHPVGCI-GFCCVEGCSA-N 2 0 282.388 -0.639 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000420031001 289545276 /nfs/dbraw/zinc/54/52/76/289545276.db2.gz RBFBVJFEBBGWIM-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP CN1CC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C(C)(C)C1=O ZINC000414717125 290045509 /nfs/dbraw/zinc/04/55/09/290045509.db2.gz XTJVYBQQJZSCCT-GFCCVEGCSA-N 2 0 296.415 -0.264 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449697483 290060640 /nfs/dbraw/zinc/06/06/40/290060640.db2.gz MGCBCLBOEFDHOC-XQQFMLRXSA-N 2 0 268.405 -0.086 20 0 CBADRP COC[C@H](C)NC(=[NH2+])NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000361814166 293019374 /nfs/dbraw/zinc/01/93/74/293019374.db2.gz NAYOPHSKVSKEQY-SDDRHHMPSA-N 2 0 270.377 -0.002 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220875127 293117293 /nfs/dbraw/zinc/11/72/93/293117293.db2.gz DSJYMMLNBUEAAN-SDDRHHMPSA-N 2 0 255.362 -0.097 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000515840047 293514278 /nfs/dbraw/zinc/51/42/78/293514278.db2.gz CKJCLFVSEKAWOX-NEPJUHHUSA-N 2 0 255.362 -0.192 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444175681 295107783 /nfs/dbraw/zinc/10/77/83/295107783.db2.gz LDVJDLBPWLZUNC-GHMZBOCLSA-N 2 0 268.361 -0.948 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000125229170 295217113 /nfs/dbraw/zinc/21/71/13/295217113.db2.gz IBAKRKSUEOWDSR-ZDUSSCGKSA-N 2 0 296.415 -0.072 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000418297030 295250211 /nfs/dbraw/zinc/25/02/11/295250211.db2.gz KEYAZNZFMRBVGB-QWHCGFSZSA-N 2 0 283.420 -0.292 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000424471490 295299600 /nfs/dbraw/zinc/29/96/00/295299600.db2.gz SSEUGMPRAFKSQF-QJPTWQEYSA-N 2 0 270.377 -0.066 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000332065158 295301366 /nfs/dbraw/zinc/30/13/66/295301366.db2.gz RHXGJTLHZQTEBS-UPJWGTAASA-N 2 0 294.399 -0.321 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000419736164 295339713 /nfs/dbraw/zinc/33/97/13/295339713.db2.gz RMIMVEHMPKNEFM-WCQYABFASA-N 2 0 294.399 -0.321 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000357236227 295538786 /nfs/dbraw/zinc/53/87/86/295538786.db2.gz DUGBUKVKHUHBQN-UONOGXRCSA-N 2 0 297.399 -0.454 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333663656 297544971 /nfs/dbraw/zinc/54/49/71/297544971.db2.gz LYFYWAMJMXJRMR-BFHYXJOUSA-N 2 0 295.431 -0.184 20 0 CBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174718423 298132287 /nfs/dbraw/zinc/13/22/87/298132287.db2.gz OUJBMPXXHYSMJB-LLVKDONJSA-N 2 0 285.392 -0.861 20 0 CBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252839969 298134126 /nfs/dbraw/zinc/13/41/26/298134126.db2.gz BGXRWMKJECKAMI-XFWSIPNHSA-N 2 0 254.334 -0.371 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000420010449 298417591 /nfs/dbraw/zinc/41/75/91/298417591.db2.gz XLNMCZGMIVPBJJ-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000423715850 298530342 /nfs/dbraw/zinc/53/03/42/298530342.db2.gz HUQGSMAHEUFHOW-MNOVXSKESA-N 2 0 270.377 -0.655 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419414010 298558293 /nfs/dbraw/zinc/55/82/93/298558293.db2.gz DRXCLXIJBLMPJC-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000349029317 300234587 /nfs/dbraw/zinc/23/45/87/300234587.db2.gz QLTSJAQAXIMMOT-GXFFZTMASA-N 2 0 267.373 -0.036 20 0 CBADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000263077868 300820323 /nfs/dbraw/zinc/82/03/23/300820323.db2.gz XEVDVASKHNFMRZ-JSGCOSHPSA-N 2 0 268.405 -0.085 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C1C[NH2+]C1 ZINC000262818610 303373166 /nfs/dbraw/zinc/37/31/66/303373166.db2.gz SDTHTJNVYKQLCL-LLVKDONJSA-N 2 0 268.361 -0.948 20 0 CBADRP [NH3+]CCNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419183818 303381977 /nfs/dbraw/zinc/38/19/77/303381977.db2.gz MSQRODQPMIXVSI-CYBMUJFWSA-N 2 0 296.415 -0.025 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC000063179699 303382712 /nfs/dbraw/zinc/38/27/12/303382712.db2.gz CHOUTBHWPIGDEL-SNVBAGLBSA-N 2 0 268.361 -0.948 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000132200462 303382970 /nfs/dbraw/zinc/38/29/70/303382970.db2.gz JHGYFHMQYBOIPF-GWCFXTLKSA-N 2 0 286.351 -0.999 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000333803419 303397937 /nfs/dbraw/zinc/39/79/37/303397937.db2.gz IFDUKSUSIGCELK-RYUDHWBXSA-N 2 0 282.388 -0.112 20 0 CBADRP [NH3+][C@@H]1CC[C@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000377530883 303472792 /nfs/dbraw/zinc/47/27/92/303472792.db2.gz RTBLXSDJPZQWOL-YNEHKIRRSA-N 2 0 266.389 -0.380 20 0 CBADRP C[NH2+]C[C@H]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000570716400 327613956 /nfs/dbraw/zinc/61/39/56/327613956.db2.gz JJZTWLLDYVJFEJ-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000570795555 327619879 /nfs/dbraw/zinc/61/98/79/327619879.db2.gz XQRJZJJKKANTGM-YIYPIFLZSA-N 2 0 253.390 -0.017 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[NH2+]C1 ZINC000580192761 327727887 /nfs/dbraw/zinc/72/78/87/327727887.db2.gz FPWUBFHUBKJNSI-WCQYABFASA-N 2 0 271.361 -0.893 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC[NH2+]1 ZINC000582175607 328609612 /nfs/dbraw/zinc/60/96/12/328609612.db2.gz MOJBSVPQBMMXSG-LLVKDONJSA-N 2 0 270.377 -0.783 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000581129921 327845282 /nfs/dbraw/zinc/84/52/82/327845282.db2.gz CSYFVHDIELQGMA-SNVBAGLBSA-N 2 0 259.350 -0.229 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000563103305 327924008 /nfs/dbraw/zinc/92/40/08/327924008.db2.gz CHVZJFSILMAKRW-LLVKDONJSA-N 2 0 280.376 -0.084 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)NCC[C@H]1CC[NH2+]C1 ZINC000563100217 327924399 /nfs/dbraw/zinc/92/43/99/327924399.db2.gz XBOYOOSXFSLYHQ-NEPJUHHUSA-N 2 0 255.362 -0.129 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000563106949 327924788 /nfs/dbraw/zinc/92/47/88/327924788.db2.gz YEDZKTFIPJDAMK-QWRGUYRKSA-N 2 0 270.377 -0.717 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000563107586 327924891 /nfs/dbraw/zinc/92/48/91/327924891.db2.gz RDCCAELQKYIKQB-NXEZZACHSA-N 2 0 263.345 -0.032 20 0 CBADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000563208894 327965093 /nfs/dbraw/zinc/96/50/93/327965093.db2.gz FGWYAZFDZRRFHI-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP COCCN1C(=O)C[C@H](NC[C@H]2CCC[N@H+](C)C2)C1=O ZINC000563348698 328056648 /nfs/dbraw/zinc/05/66/48/328056648.db2.gz MNGYZIPDCCVTEL-NEPJUHHUSA-N 2 0 283.372 -0.308 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000563447934 328066300 /nfs/dbraw/zinc/06/63/00/328066300.db2.gz GBYNLUBUYDCOBI-UHFFFAOYSA-N 2 0 275.312 -0.002 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000563457543 328067703 /nfs/dbraw/zinc/06/77/03/328067703.db2.gz LFILEQYNFVCRDR-AGIUHOORSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[NH+](CC)CCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000563529457 328071982 /nfs/dbraw/zinc/07/19/82/328071982.db2.gz LKMUUMXQJXPYFR-GFCCVEGCSA-N 2 0 271.409 -0.388 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000563596637 328076135 /nfs/dbraw/zinc/07/61/35/328076135.db2.gz UKQUASDSTZUQON-KBPBESRZSA-N 2 0 297.447 -0.079 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000563605904 328076553 /nfs/dbraw/zinc/07/65/53/328076553.db2.gz ZFLFPIREISZXKJ-LBPRGKRZSA-N 3 0 273.425 -0.142 20 0 CBADRP [NH3+]C[C@@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)C1CCCC1 ZINC000563610680 328076767 /nfs/dbraw/zinc/07/67/67/328076767.db2.gz BTLUXLIOLJKAKM-GFCCVEGCSA-N 2 0 297.403 -0.765 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)c1ccccc1 ZINC000563628228 328078522 /nfs/dbraw/zinc/07/85/22/328078522.db2.gz OODDIFKAJROLTP-CYBMUJFWSA-N 2 0 290.367 -0.507 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000563659904 328082508 /nfs/dbraw/zinc/08/25/08/328082508.db2.gz GPALNRQQSJCYDK-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000572839614 328101040 /nfs/dbraw/zinc/10/10/40/328101040.db2.gz WEOLVRKPJHNKRI-RWMBFGLXSA-N 2 0 267.373 -0.035 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000571313392 328103904 /nfs/dbraw/zinc/10/39/04/328103904.db2.gz XJIURKSUGBGQII-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000571423368 328120985 /nfs/dbraw/zinc/12/09/85/328120985.db2.gz QFPOLLRBLZFSRG-QWHCGFSZSA-N 2 0 294.399 -0.449 20 0 CBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(C)(C)[NH3+])C2)CC1 ZINC000571438222 328122015 /nfs/dbraw/zinc/12/20/15/328122015.db2.gz AEPLDBLNUXVADW-GFCCVEGCSA-N 2 0 268.405 -0.038 20 0 CBADRP CC(C)([NH3+])CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000571439707 328122061 /nfs/dbraw/zinc/12/20/61/328122061.db2.gz KLYHDZNATZLIED-SECBINFHSA-N 2 0 266.349 -0.503 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[NH2+]C(C)(C)C ZINC000571520743 328131740 /nfs/dbraw/zinc/13/17/40/328131740.db2.gz MSPNFEBTQMFVGD-SECBINFHSA-N 2 0 259.350 -0.229 20 0 CBADRP C[C@H](CNC(=O)C1([NH3+])CCC1)C[NH+]1CCN(C)CC1 ZINC000582961711 329290145 /nfs/dbraw/zinc/29/01/45/329290145.db2.gz AGLUHZFKJJGPMW-GFCCVEGCSA-N 2 0 268.405 -0.133 20 0 CBADRP COC[C@@]1(C(=O)NCCOCC[NH+](C)C)CC[NH2+]C1 ZINC000388777868 328301517 /nfs/dbraw/zinc/30/15/17/328301517.db2.gz MSTSFYBEACWOBY-CYBMUJFWSA-N 2 0 273.377 -0.693 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](C2CC2)CC1 ZINC000388780225 328303169 /nfs/dbraw/zinc/30/31/69/328303169.db2.gz MYOFVUYTYRGXRZ-AWEZNQCLSA-N 2 0 271.405 -0.295 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000563875487 328541076 /nfs/dbraw/zinc/54/10/76/328541076.db2.gz SVKYFLGICJATOM-ZDUSSCGKSA-N 3 0 285.436 -0.142 20 0 CBADRP CC(C)[C@H](C(=O)NCCN1CC[NH+](C)CC1)[C@@H](C)[NH3+] ZINC000399545893 326807434 /nfs/dbraw/zinc/80/74/34/326807434.db2.gz BQSPJKOQAOJXSS-OLZOCXBDSA-N 2 0 270.421 -0.031 20 0 CBADRP C[C@@H](CCC[NH3+])NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000568509617 327001235 /nfs/dbraw/zinc/00/12/35/327001235.db2.gz RCMOUFUURLAZBP-QWRGUYRKSA-N 2 0 270.377 -0.512 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000576582812 327035610 /nfs/dbraw/zinc/03/56/10/327035610.db2.gz HUAQWKRUPSUNHH-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP [NH3+]CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000584113637 327040815 /nfs/dbraw/zinc/04/08/15/327040815.db2.gz ZUWNTYOBFFXOQO-QWHCGFSZSA-N 3 0 268.405 -0.085 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000569236319 327064439 /nfs/dbraw/zinc/06/44/39/327064439.db2.gz JCEQRTWBQYJVEG-QWRGUYRKSA-N 2 0 271.361 -0.277 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)C1 ZINC000584226634 327068637 /nfs/dbraw/zinc/06/86/37/327068637.db2.gz FZKWUENESLHTON-XLPZGREQSA-N 2 0 269.267 -0.241 20 0 CBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000564448289 327089276 /nfs/dbraw/zinc/08/92/76/327089276.db2.gz LHZHNCWLIPWLJA-VXGBXAGGSA-N 2 0 282.388 -0.430 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000569342074 327098837 /nfs/dbraw/zinc/09/88/37/327098837.db2.gz NRWIQGRMJXAULC-BZPMIXESSA-N 2 0 267.373 -0.035 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000569344474 327102576 /nfs/dbraw/zinc/10/25/76/327102576.db2.gz NKEJSYXJZBKSRJ-OJAKKHQRSA-N 2 0 267.373 -0.038 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000566171325 327155170 /nfs/dbraw/zinc/15/51/70/327155170.db2.gz LKVVEXWEGANGKQ-VXGBXAGGSA-N 2 0 292.387 -0.288 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000566178604 327157688 /nfs/dbraw/zinc/15/76/88/327157688.db2.gz BDAVUKKBXKWZBO-NWDGAFQWSA-N 2 0 273.377 -0.831 20 0 CBADRP C[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)[N@H+](C)C1CC1 ZINC000564653391 327160326 /nfs/dbraw/zinc/16/03/26/327160326.db2.gz VFDZJKGKYBYSGS-SNVBAGLBSA-N 2 0 280.376 -0.161 20 0 CBADRP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000569357775 327162779 /nfs/dbraw/zinc/16/27/79/327162779.db2.gz CRSXQFPFMYWMEO-NSHDSACASA-N 2 0 287.323 -0.571 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCOCC2CC2)CC1 ZINC000569475938 327183250 /nfs/dbraw/zinc/18/32/50/327183250.db2.gz PBEKJZDKKYQIOA-CQSZACIVSA-N 2 0 271.405 -0.389 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000569481687 327184231 /nfs/dbraw/zinc/18/42/31/327184231.db2.gz OEWGXNJTYATQPQ-ZDUSSCGKSA-N 2 0 270.421 -0.062 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C1(COC)CC[NH2+]CC1 ZINC000564655374 327194762 /nfs/dbraw/zinc/19/47/62/327194762.db2.gz JZXKXIHADUXGNE-NSHDSACASA-N 2 0 257.378 -0.026 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)C[C@@H]21 ZINC000566206492 327195148 /nfs/dbraw/zinc/19/51/48/327195148.db2.gz BZJNEURIMFURTA-YVECIDJPSA-N 2 0 294.399 -0.560 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C3([NH3+])CCCCC3)CCN2C1=O ZINC000572617733 327196560 /nfs/dbraw/zinc/19/65/60/327196560.db2.gz GDWISRMOSZQLHV-WDEREUQCSA-N 2 0 280.372 -0.582 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000566212937 327196762 /nfs/dbraw/zinc/19/67/62/327196762.db2.gz IHDNFMWEHQAECK-WOPDTQHZSA-N 2 0 280.372 -0.935 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000564939873 327198870 /nfs/dbraw/zinc/19/88/70/327198870.db2.gz JDQXPJPGWRCQQU-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@]2(COC)CC[NH2+]C2)C1 ZINC000569572870 327199418 /nfs/dbraw/zinc/19/94/18/327199418.db2.gz GFDZBLUQHSELCO-DGCLKSJQSA-N 2 0 255.362 -0.177 20 0 CBADRP CN1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)[C@@H](C[NH3+])C1 ZINC000564944433 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NC(=O)C1([NH2+]CCN2CC[NH2+]CC2)CCCCC1 ZINC000564987635 327338368 /nfs/dbraw/zinc/33/83/68/327338368.db2.gz AAKWRZKKEFNJMV-UHFFFAOYSA-N 2 0 254.378 -0.331 20 0 CBADRP [NH3+][C@H]1C[C@@H]2CN(CC(=O)N3CCCCC3)CCN2C1=O ZINC000583392798 327340640 /nfs/dbraw/zinc/34/06/40/327340640.db2.gz QFOSXPVBDBIOBO-NEPJUHHUSA-N 2 0 280.372 -0.757 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000564992019 327344450 /nfs/dbraw/zinc/34/44/50/327344450.db2.gz DKFUDCVEJVARAG-FOGDFJRCSA-N 2 0 270.377 -0.718 20 0 CBADRP [NH3+]Cc1ccc(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000564999821 327356368 /nfs/dbraw/zinc/35/63/68/327356368.db2.gz BWIGOYKLUWKDNR-ZDUSSCGKSA-N 2 0 290.367 -0.370 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[N@H+](C[C@H]3CCSC3)CCN2C1=O ZINC000579259614 327361005 /nfs/dbraw/zinc/36/10/05/327361005.db2.gz XWULAFZTZYYHPO-OUAUKWLOSA-N 2 0 255.387 -0.017 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000569698483 327537040 /nfs/dbraw/zinc/53/70/40/327537040.db2.gz CTGRSEIPUDPFNF-GFCCVEGCSA-N 3 0 273.425 -0.284 20 0 CBADRP COC[C@]1(CNC(=O)[C@]23C[C@H]2CC[NH2+]3)CCC[NH2+]1 ZINC000569838127 327550807 /nfs/dbraw/zinc/55/08/07/327550807.db2.gz CMVALPMFHHTICG-RTXFEEFZSA-N 2 0 253.346 -0.377 20 0 CBADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000570272431 327579785 /nfs/dbraw/zinc/57/97/85/327579785.db2.gz CIQVENZLTBHSDN-KBMXLJTQSA-N 2 0 296.459 -0.333 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CCC[NH2+]C1 ZINC000570569983 327601095 /nfs/dbraw/zinc/60/10/95/327601095.db2.gz NWKAVXHEPNLWCF-QWRGUYRKSA-N 2 0 268.361 -0.887 20 0 CBADRP C[NH2+]CC1CC[NH+](CCC(=O)N(C)CC(=O)OC)CC1 ZINC000571682162 328852562 /nfs/dbraw/zinc/85/25/62/328852562.db2.gz JYJKFFCMZIHPKA-UHFFFAOYSA-N 2 0 285.388 -0.061 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000583705357 329086481 /nfs/dbraw/zinc/08/64/81/329086481.db2.gz VPLXOAVBCDLOPW-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC1(C)CC[NH2+]CC1 ZINC000582547215 329105396 /nfs/dbraw/zinc/10/53/96/329105396.db2.gz REVRNCCYNRIKCL-LBPRGKRZSA-N 2 0 284.404 -0.408 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000582604805 329114791 /nfs/dbraw/zinc/11/47/91/329114791.db2.gz GCDOBTFUULDGBU-GRYCIOLGSA-N 2 0 255.362 -0.192 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000582607184 329115685 /nfs/dbraw/zinc/11/56/85/329115685.db2.gz YAASLZGXJHBUIP-ZIAGYGMSSA-N 2 0 275.352 -0.195 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000582664520 329121412 /nfs/dbraw/zinc/12/14/12/329121412.db2.gz GPAOVROBSMXTMK-RKDXNWHRSA-N 2 0 251.334 -0.046 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000582664519 329121461 /nfs/dbraw/zinc/12/14/61/329121461.db2.gz GPAOVROBSMXTMK-IUCAKERBSA-N 2 0 251.334 -0.046 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CCC[NH2+]1 ZINC000582665530 329121696 /nfs/dbraw/zinc/12/16/96/329121696.db2.gz JHRMIDDMDPEHHL-WDEREUQCSA-N 2 0 268.361 -0.887 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000582733570 329133404 /nfs/dbraw/zinc/13/34/04/329133404.db2.gz HBJBPIXRUOAHDV-QWHCGFSZSA-N 2 0 259.394 -0.439 20 0 CBADRP COC(=O)C1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000582786834 329198877 /nfs/dbraw/zinc/19/88/77/329198877.db2.gz LSVYGKVKNBUIEA-UHFFFAOYSA-N 2 0 283.372 -0.307 20 0 CBADRP CC(C)(CCC[NH3+])NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000583085119 329312224 /nfs/dbraw/zinc/31/22/24/329312224.db2.gz QEEBXNFJXLMBHS-SNVBAGLBSA-N 2 0 270.377 -0.512 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCC[NH3+] ZINC000583133857 329319191 /nfs/dbraw/zinc/31/91/91/329319191.db2.gz UWSFGXRWBCAERK-UHFFFAOYSA-N 3 0 259.398 -0.530 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000583202221 329361536 /nfs/dbraw/zinc/36/15/36/329361536.db2.gz HNLOKANVYCQAHC-TUAOUCFPSA-N 2 0 253.346 -0.425 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000583321306 329450889 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C[C@@H]1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)C[C@H]1C[NH3+] ZINC000580421087 330129053 /nfs/dbraw/zinc/12/90/53/330129053.db2.gz ISZYTKJXCKWNIM-JHJVBQTASA-N 2 0 283.420 -0.484 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000580432365 330131768 /nfs/dbraw/zinc/13/17/68/330131768.db2.gz CHXSHPIWUHGVFQ-SCZZXKLOSA-N 2 0 292.330 -0.801 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000580445897 330139629 /nfs/dbraw/zinc/13/96/29/330139629.db2.gz LGTIXQQTQINWHH-QJPTWQEYSA-N 2 0 282.388 -0.417 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000572481062 330627159 /nfs/dbraw/zinc/62/71/59/330627159.db2.gz OEKFLDOHHVZYRL-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)C1 ZINC000575409036 335101405 /nfs/dbraw/zinc/10/14/05/335101405.db2.gz CPHMAOSKBMOFHD-AAVRWANBSA-N 2 0 297.399 -0.458 20 0 CBADRP [NH3+]CC[C@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C(F)F ZINC000575747920 335111625 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CC[N@H+](C)CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000575919914 335131012 /nfs/dbraw/zinc/13/10/12/335131012.db2.gz DFPSXFFOADZJNZ-UHFFFAOYSA-N 2 0 254.338 -0.692 20 0 CBADRP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000575986449 335138376 /nfs/dbraw/zinc/13/83/76/335138376.db2.gz FMLAKFQAGGAITH-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000576037984 335144176 /nfs/dbraw/zinc/14/41/76/335144176.db2.gz MFPWBQFIJHNDKS-CHWSQXEVSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000576160438 335162521 /nfs/dbraw/zinc/16/25/21/335162521.db2.gz HFMXKYIUGBRPIK-WDEREUQCSA-N 2 0 284.404 -0.171 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000576163296 335163156 /nfs/dbraw/zinc/16/31/56/335163156.db2.gz ILVHJYJBISMQNS-TXEJJXNPSA-N 2 0 255.362 -0.048 20 0 CBADRP O=C(CCOC1C[NH2+]C1)NCC[C@@H]1CCC[NH2+]C1 ZINC000564321099 334089676 /nfs/dbraw/zinc/08/96/76/334089676.db2.gz NVWUIMSIMLMDSG-NSHDSACASA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000564334190 334128845 /nfs/dbraw/zinc/12/88/45/334128845.db2.gz CVHUVENFZBXONW-TUAOUCFPSA-N 2 0 284.404 -0.362 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000564956914 334530297 /nfs/dbraw/zinc/53/02/97/334530297.db2.gz XQVWYGIBEUVCSQ-QWRGUYRKSA-N 2 0 255.362 -0.062 20 0 CBADRP CC[NH2+]CCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000564981778 334532234 /nfs/dbraw/zinc/53/22/34/334532234.db2.gz XLDBUORKOBPORU-UHFFFAOYSA-N 2 0 265.361 -0.313 20 0 CBADRP CC(C)([NH3+])CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000564987953 334532495 /nfs/dbraw/zinc/53/24/95/334532495.db2.gz CPDHQQVTVFUOEQ-UHFFFAOYSA-N 2 0 265.361 -0.185 20 0 CBADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000564995422 334533376 /nfs/dbraw/zinc/53/33/76/334533376.db2.gz RMKCRHLYGCYNCG-GMTAPVOTSA-N 2 0 255.362 -0.396 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000565364876 334556577 /nfs/dbraw/zinc/55/65/77/334556577.db2.gz OJXQPKUYLUAQHM-QFOLPQNPSA-N 2 0 271.361 -0.230 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000565714163 334590279 /nfs/dbraw/zinc/59/02/79/334590279.db2.gz HXEGRQGQHALOOI-DTWKUNHWSA-N 2 0 251.334 -0.046 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)C(F)F ZINC000565891040 334606555 /nfs/dbraw/zinc/60/65/55/334606555.db2.gz HHMIPCPPXOBQIJ-RKDXNWHRSA-N 2 0 265.304 -0.146 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000566062612 334619145 /nfs/dbraw/zinc/61/91/45/334619145.db2.gz QGJOZORYLVOOJC-UHFFFAOYSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@H](C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1)S(C)(=O)=O ZINC000566557172 334655092 /nfs/dbraw/zinc/65/50/92/334655092.db2.gz PZVWOZAROZMIHL-QWHCGFSZSA-N 2 0 291.461 -0.107 20 0 CBADRP CC[NH+](CC)CCN(C(=O)C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000566678796 334660029 /nfs/dbraw/zinc/66/00/29/334660029.db2.gz JWAKXSZVUNSJAL-NSHDSACASA-N 2 0 291.417 -0.697 20 0 CBADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)[C@@H]1C ZINC000567639455 334745099 /nfs/dbraw/zinc/74/50/99/334745099.db2.gz PQROUADSDOOQEL-AGIUHOORSA-N 2 0 297.399 -0.014 20 0 CBADRP CO[C@H](C[NH3+])C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000567669686 334749909 /nfs/dbraw/zinc/74/99/09/334749909.db2.gz BCARUOGEWOBXLL-LLVKDONJSA-N 2 0 279.344 -0.597 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000567730747 334756324 /nfs/dbraw/zinc/75/63/24/334756324.db2.gz RHBJIYAIJJGGEU-HZSPNIEDSA-N 2 0 297.399 -0.456 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000567822129 334764443 /nfs/dbraw/zinc/76/44/43/334764443.db2.gz YBHPJFOBXJQWAZ-RWMBFGLXSA-N 2 0 283.420 -0.199 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000567838148 334766573 /nfs/dbraw/zinc/76/65/73/334766573.db2.gz PQHVKYPBVXEGRK-UWVGGRQHSA-N 2 0 256.350 -0.902 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000568150727 334796157 /nfs/dbraw/zinc/79/61/57/334796157.db2.gz TVRVGGCHDANNBX-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000568267714 334810825 /nfs/dbraw/zinc/81/08/25/334810825.db2.gz LONQKSREJCTVAB-VWYCJHECSA-N 2 0 268.361 -0.855 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]1)NCCCN1CC[NH2+]CC1 ZINC000158840763 334814820 /nfs/dbraw/zinc/81/48/20/334814820.db2.gz UELIXVNZJFRZPI-GFCCVEGCSA-N 2 0 254.378 -0.460 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000568371585 334820111 /nfs/dbraw/zinc/82/01/11/334820111.db2.gz LGEQQXOPYWJGAU-NWDGAFQWSA-N 2 0 297.403 -0.765 20 0 CBADRP O=C(C[C@H]1CCC[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000568388453 334821742 /nfs/dbraw/zinc/82/17/42/334821742.db2.gz YVWJCLAOIJZOTN-CHWSQXEVSA-N 2 0 266.389 -0.365 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NCC[C@@H]2CCC[NH2+]C2)O1 ZINC000568389003 334821830 /nfs/dbraw/zinc/82/18/30/334821830.db2.gz IWTQXGXIUXERNM-TUAOUCFPSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]CC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000568513282 334828270 /nfs/dbraw/zinc/82/82/70/334828270.db2.gz USJXVKDNFUAKBB-UHFFFAOYSA-N 2 0 278.356 -0.132 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000568744824 334838710 /nfs/dbraw/zinc/83/87/10/334838710.db2.gz MSMXBCSWRJFSQS-UONOGXRCSA-N 2 0 299.415 -0.020 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NCCC[NH2+]C2CC2)CC1=O ZINC000568766844 334840092 /nfs/dbraw/zinc/84/00/92/334840092.db2.gz HRLFPSVPSFVKDR-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@](C[NH3+])(NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000569122120 334856697 /nfs/dbraw/zinc/85/66/97/334856697.db2.gz WBIWDRBBKSRVMG-BXUZGUMPSA-N 2 0 282.388 -0.512 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000569220552 334862046 /nfs/dbraw/zinc/86/20/46/334862046.db2.gz RSHCMSQZOHVDLE-NEPJUHHUSA-N 2 0 292.387 -0.146 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000569220555 334862077 /nfs/dbraw/zinc/86/20/77/334862077.db2.gz RSHCMSQZOHVDLE-VXGBXAGGSA-N 2 0 292.387 -0.146 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000572763176 334876513 /nfs/dbraw/zinc/87/65/13/334876513.db2.gz RFSDULZKYZPJFP-GFCCVEGCSA-N 2 0 296.415 -0.039 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000572999143 334899559 /nfs/dbraw/zinc/89/95/59/334899559.db2.gz IAGZIZFIUSOTCG-JBLDHEPKSA-N 2 0 260.382 -0.276 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@H](C[NH3+])C2CCCCC2)nn1 ZINC000573221693 334919469 /nfs/dbraw/zinc/91/94/69/334919469.db2.gz MIJJCZSSAWWVMO-LLVKDONJSA-N 2 0 280.376 -0.126 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000576480851 335210369 /nfs/dbraw/zinc/21/03/69/335210369.db2.gz WMZGWODCMAIZPC-LLVKDONJSA-N 2 0 272.393 -0.360 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000576520923 335214404 /nfs/dbraw/zinc/21/44/04/335214404.db2.gz OAVVOUTXVYADAU-QWHCGFSZSA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000576634777 335228428 /nfs/dbraw/zinc/22/84/28/335228428.db2.gz HZBFJTWBSWQTIY-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)C[NH+]1CCCCC1 ZINC000576809460 335249986 /nfs/dbraw/zinc/24/99/86/335249986.db2.gz URXSGYLNNLXLDF-LLVKDONJSA-N 2 0 282.388 -0.687 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)CN1C1CC1 ZINC000576814615 335250480 /nfs/dbraw/zinc/25/04/80/335250480.db2.gz DUJKWXOXRGZBIB-RYUDHWBXSA-N 2 0 266.389 -0.367 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000576821845 335251953 /nfs/dbraw/zinc/25/19/53/335251953.db2.gz ARZQEWBIUDMBFG-ZYHUDNBSSA-N 2 0 292.387 -0.070 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000576826872 335252925 /nfs/dbraw/zinc/25/29/25/335252925.db2.gz UYVMHOFSEUMBHC-LOWVWBTDSA-N 2 0 282.388 -0.846 20 0 CBADRP Cc1noc(CCCC(=O)N2CCN(C)C[C@H]2C[NH3+])n1 ZINC000576986001 335273649 /nfs/dbraw/zinc/27/36/49/335273649.db2.gz HWOFGXSZGHZOHC-LLVKDONJSA-N 2 0 281.360 -0.198 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000580551643 335278908 /nfs/dbraw/zinc/27/89/08/335278908.db2.gz XFEWVTJWNGEHFR-WDEREUQCSA-N 2 0 272.393 -0.362 20 0 CBADRP O=C(CC[C@H]1CC[NH2+]C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000580560599 335281284 /nfs/dbraw/zinc/28/12/84/335281284.db2.gz OAYBYXAEZFJWAQ-KBPBESRZSA-N 2 0 280.416 -0.118 20 0 CBADRP O=C(CC[C@@H]1CC[NH2+]C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000580560600 335281334 /nfs/dbraw/zinc/28/13/34/335281334.db2.gz OAYBYXAEZFJWAQ-KGLIPLIRSA-N 2 0 280.416 -0.118 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC[C@@H]1CCC[NH2+]C1 ZINC000580561667 335281855 /nfs/dbraw/zinc/28/18/55/335281855.db2.gz OFMHKKNBRIWJJZ-RYUDHWBXSA-N 2 0 282.388 -0.640 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000580565455 335287377 /nfs/dbraw/zinc/28/73/77/335287377.db2.gz NBSIIEZSFYHUFK-AAEUAGOBSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@H](C(=O)N1CCCCC1)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000577077304 335296447 /nfs/dbraw/zinc/29/64/47/335296447.db2.gz IPIVJUXAKFFKHJ-UPJWGTAASA-N 2 0 294.399 -0.369 20 0 CBADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)CNC(=O)C[NH3+] ZINC000577108089 335301379 /nfs/dbraw/zinc/30/13/79/335301379.db2.gz SZZYINRCSDTNGP-GFCCVEGCSA-N 2 0 278.356 -0.560 20 0 CBADRP C[NH2+]CCC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000580645412 335310571 /nfs/dbraw/zinc/31/05/71/335310571.db2.gz AGTKMCBIYYIZAZ-GFCCVEGCSA-N 2 0 282.388 -0.734 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@@]2(COC)CC[NH2+]C2)CC1 ZINC000577219701 335325029 /nfs/dbraw/zinc/32/50/29/335325029.db2.gz UVVUOZVPDLRYTL-ZDUSSCGKSA-N 2 0 255.362 -0.177 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)[NH+](C)C ZINC000577230290 335327335 /nfs/dbraw/zinc/32/73/35/335327335.db2.gz ZMBPSJJSEVSHGS-QWRGUYRKSA-N 2 0 272.393 -0.491 20 0 CBADRP CC1(C)CC(NC(=O)C(=O)NC2C[NH2+]C2)CC(C)(C)[NH2+]1 ZINC000577370345 335343533 /nfs/dbraw/zinc/34/35/33/335343533.db2.gz MEQJPIUGKDBBRC-UHFFFAOYSA-N 2 0 282.388 -0.500 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000577370430 335343775 /nfs/dbraw/zinc/34/37/75/335343775.db2.gz CTACOQHHPBACDJ-UHFFFAOYSA-N 2 0 270.377 -0.735 20 0 CBADRP C[C@@H]1CN(CCC(=O)N2CC[NH2+]CC2)[C@H](C)C[NH2+]1 ZINC000577373822 335344380 /nfs/dbraw/zinc/34/43/80/335344380.db2.gz UBAOMHGKNYYXNF-VXGBXAGGSA-N 2 0 254.378 -0.510 20 0 CBADRP CN(C[C@H](O)C[NH2+]CC1(S(C)(=O)=O)CCC1)C1CC1 ZINC000577386009 335346462 /nfs/dbraw/zinc/34/64/62/335346462.db2.gz KDWNOTXGIHSOLM-GFCCVEGCSA-N 2 0 290.429 -0.002 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000577493897 335359051 /nfs/dbraw/zinc/35/90/51/335359051.db2.gz HDLVLJVTDFRXQE-RNJOBUHISA-N 2 0 283.372 -0.705 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000577507757 335362056 /nfs/dbraw/zinc/36/20/56/335362056.db2.gz UEMPPAARCLPFHR-NEPJUHHUSA-N 2 0 283.372 -0.275 20 0 CBADRP [NH3+]CC(=O)NCC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000577606853 335377104 /nfs/dbraw/zinc/37/71/04/335377104.db2.gz OVEMOZNFKQCRNA-UHFFFAOYSA-N 2 0 296.415 -0.168 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000577713197 335391438 /nfs/dbraw/zinc/39/14/38/335391438.db2.gz OTBKHZSWUOXKTR-ZIAGYGMSSA-N 2 0 295.431 -0.230 20 0 CBADRP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CCO1 ZINC000577748849 335396710 /nfs/dbraw/zinc/39/67/10/335396710.db2.gz VXEGCNCNPFGRCD-WOPDTQHZSA-N 2 0 271.361 -0.718 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000577866510 335414448 /nfs/dbraw/zinc/41/44/48/335414448.db2.gz SCONUDHTTGCLET-CYBMUJFWSA-N 2 0 287.404 -0.081 20 0 CBADRP CC[NH2+]CCCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000578011474 335459095 /nfs/dbraw/zinc/45/90/95/335459095.db2.gz PQDUMARXLBKAIB-LLVKDONJSA-N 2 0 280.376 -0.241 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C1CC[NH2+]CC1 ZINC000578235897 335590217 /nfs/dbraw/zinc/59/02/17/335590217.db2.gz HYGDMOKJDOVMQR-ZDUSSCGKSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000578551985 335649083 /nfs/dbraw/zinc/64/90/83/335649083.db2.gz VCSSHZDDGUWGMN-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@H]([NH2+]CCn2cccn2)C1=O ZINC000578879446 335683964 /nfs/dbraw/zinc/68/39/64/335683964.db2.gz VLZHHTTVHYLASX-NSHDSACASA-N 2 0 279.344 -0.838 20 0 CBADRP COCC1(CNC(=O)N[C@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC000579007623 335699849 /nfs/dbraw/zinc/69/98/49/335699849.db2.gz XBLZALLIQZPPHB-NSHDSACASA-N 2 0 270.377 -0.336 20 0 CBADRP O=C(COC1C[NH2+]C1)NCC[NH+]1CCCCCC1 ZINC000579348557 335737038 /nfs/dbraw/zinc/73/70/38/335737038.db2.gz SCDZBSJYTGEPFA-UHFFFAOYSA-N 2 0 255.362 -0.033 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@@H]([NH2+]C)C1)c1cnn(C)c1 ZINC000579351091 335737703 /nfs/dbraw/zinc/73/77/03/335737703.db2.gz BAFUFVOODLIFSE-MNOVXSKESA-N 2 0 251.334 -0.499 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nn1 ZINC000579470781 335766307 /nfs/dbraw/zinc/76/63/07/335766307.db2.gz RMCNKUSANHRNNT-PHIMTYICSA-N 2 0 278.360 -0.407 20 0 CBADRP CN(CCC[NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000579861728 335911893 /nfs/dbraw/zinc/91/18/93/335911893.db2.gz KXGKDUIAAVMDEF-UHFFFAOYSA-N 2 0 257.382 -0.728 20 0 CBADRP CO[C@H]1CCN(C(=O)CCOC2C[NH2+]C2)[C@H](C[NH3+])C1 ZINC000579946029 335933881 /nfs/dbraw/zinc/93/38/81/335933881.db2.gz MENYVISKJPQQSH-QWRGUYRKSA-N 2 0 271.361 -0.670 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000580942609 335986775 /nfs/dbraw/zinc/98/67/75/335986775.db2.gz ANRVXSSWONCOQK-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)COCc1ccccc1 ZINC000581072537 336004508 /nfs/dbraw/zinc/00/45/08/336004508.db2.gz UDYHHXROFUAJMS-KGLIPLIRSA-N 2 0 268.357 -0.266 20 0 CBADRP C[NH+]1CCC(CC[NH2+]CCC(=O)NC(N)=O)CC1 ZINC000581126581 336011630 /nfs/dbraw/zinc/01/16/30/336011630.db2.gz UCHBELABFKRNFF-UHFFFAOYSA-N 2 0 256.350 -0.107 20 0 CBADRP [NH3+]CCCNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000581130773 336012397 /nfs/dbraw/zinc/01/23/97/336012397.db2.gz SWKJTVKNAHJVHV-NSHDSACASA-N 2 0 251.334 -0.114 20 0 CBADRP COC[C@H](O)C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000581186578 336020918 /nfs/dbraw/zinc/02/09/18/336020918.db2.gz QHZTWIHKBQRCAS-GFCCVEGCSA-N 2 0 259.394 -0.391 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NCC[C@H]2CCC[NH2+]C2)nn1 ZINC000581245819 336031133 /nfs/dbraw/zinc/03/11/33/336031133.db2.gz OCFXTRWBOSTISC-LLVKDONJSA-N 2 0 280.376 -0.254 20 0 CBADRP COC(=O)CCNC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000581250991 336031979 /nfs/dbraw/zinc/03/19/79/336031979.db2.gz CUADVNLCZBNOIB-UHFFFAOYSA-N 2 0 283.372 -0.259 20 0 CBADRP CN1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)[C@H](C[NH3+])C1 ZINC000581300012 336041560 /nfs/dbraw/zinc/04/15/60/336041560.db2.gz FBEQERHLQFBRKD-KGLIPLIRSA-N 2 0 291.399 -0.029 20 0 CBADRP COC[C@@]1(CNC(=O)[C@@]2(COC)CC[NH2+]C2)CCC[NH2+]1 ZINC000581364754 336061800 /nfs/dbraw/zinc/06/18/00/336061800.db2.gz HLMAWZIONURKEJ-KBPBESRZSA-N 2 0 285.388 -0.503 20 0 CBADRP Cn1ccnc1[C@@H]1C[NH2+]CCN1CCOCC[NH3+] ZINC000581489621 336088540 /nfs/dbraw/zinc/08/85/40/336088540.db2.gz YHFDIESZAYCZLE-NSHDSACASA-N 2 0 253.350 -0.658 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN(C)CC[NH+]1CCCC1 ZINC000382468440 336091170 /nfs/dbraw/zinc/09/11/70/336091170.db2.gz AWDNTHRFLATABN-CQSZACIVSA-N 2 0 273.421 -0.047 20 0 CBADRP CC1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[NH2+]C1 ZINC000581665340 336120699 /nfs/dbraw/zinc/12/06/99/336120699.db2.gz HPFRBTKJZYLNOH-NSHDSACASA-N 2 0 252.362 -0.898 20 0 CBADRP C[C@@H](CNC(=O)C1(C)C[NH2+]C1)N1CC[NH+](C)CC1 ZINC000581724055 336137662 /nfs/dbraw/zinc/13/76/62/336137662.db2.gz LNJIUKVWLFIHIZ-NSHDSACASA-N 2 0 254.378 -0.652 20 0 CBADRP CC1(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000581725583 336137860 /nfs/dbraw/zinc/13/78/60/336137860.db2.gz WIJZRWAHHWEYHH-LLVKDONJSA-N 2 0 282.388 -0.640 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000581727102 336138681 /nfs/dbraw/zinc/13/86/81/336138681.db2.gz GOUVEPDHYBTZSQ-IJLUTSLNSA-N 2 0 285.413 -0.329 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000581727104 336138724 /nfs/dbraw/zinc/13/87/24/336138724.db2.gz GOUVEPDHYBTZSQ-WOPDTQHZSA-N 2 0 285.413 -0.329 20 0 CBADRP CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000581822985 336147361 /nfs/dbraw/zinc/14/73/61/336147361.db2.gz AUMGVWLRMGBAEN-QWRGUYRKSA-N 2 0 268.361 -0.935 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)C(F)(F)F ZINC000581879207 336157199 /nfs/dbraw/zinc/15/71/99/336157199.db2.gz XCOBLZDJCZVTIY-JGVFFNPUSA-N 2 0 269.267 -0.239 20 0 CBADRP CC(C)[C@H](CNC(=O)COC1C[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000581882233 336158718 /nfs/dbraw/zinc/15/87/18/336158718.db2.gz KFDZUUAUYGVGMU-AWEZNQCLSA-N 2 0 298.431 -0.637 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC[N@H+]1CC=CCC1 ZINC000581942253 336173533 /nfs/dbraw/zinc/17/35/33/336173533.db2.gz GRFGGAGIPXBJSD-LBPRGKRZSA-N 2 0 280.372 -0.767 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581944082 336174141 /nfs/dbraw/zinc/17/41/41/336174141.db2.gz PILRXDGHJBESNY-ZDUSSCGKSA-N 2 0 268.361 -0.092 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)CC[N@@H+]1C ZINC000343286214 533934389 /nfs/dbraw/zinc/93/43/89/533934389.db2.gz XORIQPXPXZPCFF-MCIONIFRSA-N 2 0 280.416 -0.025 20 0 CBADRP [NH3+]CC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000378208382 534574118 /nfs/dbraw/zinc/57/41/18/534574118.db2.gz GLSDULFWRUIWFP-UHFFFAOYSA-N 2 0 255.362 -0.094 20 0 CBADRP COCC[N@H+](C)CCNC[C@H](O)C[NH+]1CCCC1 ZINC000061378600 523605045 /nfs/dbraw/zinc/60/50/45/523605045.db2.gz CAXOWLXSIJUSDF-ZDUSSCGKSA-N 2 0 259.394 -0.389 20 0 CBADRP C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221176371 526024042 /nfs/dbraw/zinc/02/40/42/526024042.db2.gz SRHYEMINTYZBQQ-GHMZBOCLSA-N 2 0 282.388 -0.560 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000357252285 536507711 /nfs/dbraw/zinc/50/77/11/536507711.db2.gz WFTCOHDGKGSKMZ-LLVKDONJSA-N 2 0 257.378 -0.074 20 0 CBADRP O=S(=O)(NCC[NH+]1CCCCC1)N1CC[NH2+]CC1 ZINC000049575659 527215483 /nfs/dbraw/zinc/21/54/83/527215483.db2.gz FBJNFHNYKOXNFX-UHFFFAOYSA-N 2 0 276.406 -0.788 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NCC[NH+](C)C1CC1)C1CC1 ZINC000343312810 528480000 /nfs/dbraw/zinc/48/00/00/528480000.db2.gz QGUWHHHKETVYLJ-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@@H+]1CCC[C@@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000354678678 529050596 /nfs/dbraw/zinc/05/05/96/529050596.db2.gz PYEHDIAFMDQLPJ-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[N@@H+]1CCC[C@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000354678686 529087563 /nfs/dbraw/zinc/08/75/63/529087563.db2.gz PYEHDIAFMDQLPJ-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000357303217 535052666 /nfs/dbraw/zinc/05/26/66/535052666.db2.gz IHQZEVWIQLQANE-JULQROHOSA-N 2 0 284.404 -0.411 20 0 CBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000236882522 535704988 /nfs/dbraw/zinc/70/49/88/535704988.db2.gz LMSLUGXWRHVLFJ-KBPBESRZSA-N 2 0 282.432 -0.014 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000357225464 535726829 /nfs/dbraw/zinc/72/68/29/535726829.db2.gz NIUKYHKFYSFESZ-KBPBESRZSA-N 2 0 298.431 -0.493 20 0 CBADRP CC[C@H]1CN(CCOCC[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000357077969 536151291 /nfs/dbraw/zinc/15/12/91/536151291.db2.gz JOPUVZVYDIVBGN-STQMWFEESA-N 2 0 259.394 -0.261 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=[NH2+])N2CCOCC2)C1 ZINC000104183132 582113261 /nfs/dbraw/zinc/11/32/61/582113261.db2.gz KQKZQHKOSUMFFI-LBPRGKRZSA-N 2 0 297.403 -0.779 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=[NH2+])N2CCOCC2)C1 ZINC000104183135 582113270 /nfs/dbraw/zinc/11/32/70/582113270.db2.gz KQKZQHKOSUMFFI-GFCCVEGCSA-N 2 0 297.403 -0.779 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000111758143 582115546 /nfs/dbraw/zinc/11/55/46/582115546.db2.gz TVXDREPYCJPVOA-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP COCCN(CC[NH+](C)C)C(=S)NCC[NH+](C)C ZINC000729646303 582147191 /nfs/dbraw/zinc/14/71/91/582147191.db2.gz ZVTXMWTZDCDBBN-UHFFFAOYSA-N 2 0 276.450 -0.068 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=S)NCC[NH+](C)C ZINC000730155946 582149496 /nfs/dbraw/zinc/14/94/96/582149496.db2.gz DWWJZVAXFVLUJG-GFCCVEGCSA-N 2 0 287.477 -0.352 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=S)NCC[NH+](C)C ZINC000730155947 582149524 /nfs/dbraw/zinc/14/95/24/582149524.db2.gz DWWJZVAXFVLUJG-LBPRGKRZSA-N 2 0 287.477 -0.352 20 0 CBADRP O[C@@H](CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C[NH+]1CCCC1 ZINC000732871548 582161279 /nfs/dbraw/zinc/16/12/79/582161279.db2.gz JZITVLMVJBDFBB-PMPSAXMXSA-N 2 0 297.443 -0.026 20 0 CBADRP C[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CCOCCO ZINC000739911713 582263726 /nfs/dbraw/zinc/26/37/26/582263726.db2.gz ASHPVHVXRHQISY-UHFFFAOYSA-N 2 0 287.404 -0.615 20 0 CBADRP CC[NH+](C/C=C/C[N@@H+](CC)CC(=O)NC)CC(=O)NC ZINC000741787518 582270863 /nfs/dbraw/zinc/27/08/63/582270863.db2.gz QYQBKNRUPGVQPK-BQYQJAHWSA-N 2 0 284.404 -0.322 20 0 CBADRP C[C@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CC[N@@H+]1CCO ZINC000778350769 582358681 /nfs/dbraw/zinc/35/86/81/582358681.db2.gz ITYGIBQIYFUTRX-KBPBESRZSA-N 2 0 271.405 -0.559 20 0 CBADRP CC1(C)CN(C[C@H](O)C[NH+]2CCCC2)CC[N@@H+]1CCO ZINC000781961523 582367046 /nfs/dbraw/zinc/36/70/46/582367046.db2.gz ANLDGZQFAXAXKV-CQSZACIVSA-N 2 0 285.432 -0.168 20 0 CBADRP NC(=O)C[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000808775178 582444456 /nfs/dbraw/zinc/44/44/56/582444456.db2.gz PUUYEZCTRKBESY-VXGBXAGGSA-N 2 0 255.362 -0.360 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C[C@@H](O)C2CC2)C1 ZINC000819004019 582524754 /nfs/dbraw/zinc/52/47/54/582524754.db2.gz JOLWILOZCLXSOD-CHWSQXEVSA-N 2 0 269.389 -0.066 20 0 CBADRP CCS(=O)(=O)CC[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000819058038 582525621 /nfs/dbraw/zinc/52/56/21/582525621.db2.gz CWOMBXNPCIFILA-ZDUSSCGKSA-N 2 0 291.461 -0.106 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000823615104 582675450 /nfs/dbraw/zinc/67/54/50/582675450.db2.gz AXENEJUNULJIAK-ZDEQEGDKSA-N 2 0 298.431 -0.245 20 0 CBADRP CC(C)(C)[NH2+]CCC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000827749125 582831476 /nfs/dbraw/zinc/83/14/76/582831476.db2.gz DVGBVUXMONTJIF-NSHDSACASA-N 2 0 257.378 -0.053 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000827936808 582836389 /nfs/dbraw/zinc/83/63/89/582836389.db2.gz WGIAEIDUZIMEMO-MELADBBJSA-N 2 0 297.399 -0.266 20 0 CBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@H]3[NH3+])C2)CC1 ZINC000829484719 582888141 /nfs/dbraw/zinc/88/81/41/582888141.db2.gz WSNQWRCLQJMKFR-UHTWSYAYSA-N 2 0 266.389 -0.382 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000830355246 582929426 /nfs/dbraw/zinc/92/94/26/582929426.db2.gz DTKKCTYDBXRKTI-ZDUSSCGKSA-N 2 0 273.352 -0.131 20 0 CBADRP CCO[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)C[NH+](C)C ZINC000831703043 582995833 /nfs/dbraw/zinc/99/58/33/582995833.db2.gz PPXUQLSVHQRYLN-OUCADQQQSA-N 2 0 287.404 -0.476 20 0 CBADRP C[C@H]1CCC[N@@H+]1CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000831970729 583008801 /nfs/dbraw/zinc/00/88/01/583008801.db2.gz KUCXUNRHVAACBF-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000831971417 583009228 /nfs/dbraw/zinc/00/92/28/583009228.db2.gz XGJZNRSARQGUSJ-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP [NH3+]CCCCCCC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000832409810 583024442 /nfs/dbraw/zinc/02/44/42/583024442.db2.gz NJRSTADQXSWWHW-UHFFFAOYSA-N 2 0 270.377 -0.556 20 0 CBADRP [NH3+]CCCCCC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000832526475 583028210 /nfs/dbraw/zinc/02/82/10/583028210.db2.gz IBNOJEVYRBKSKF-GFCCVEGCSA-N 2 0 284.404 -0.181 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000832554724 583029936 /nfs/dbraw/zinc/02/99/36/583029936.db2.gz RAVVPAAZMZPYJB-SECBINFHSA-N 2 0 263.345 -0.121 20 0 CBADRP CN1CCN(C(=O)c2cccc(C[NH3+])c2)[C@H](C[NH3+])C1 ZINC000834299113 583119765 /nfs/dbraw/zinc/11/97/65/583119765.db2.gz KFHVFBINVXZMKJ-CYBMUJFWSA-N 2 0 262.357 -0.140 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000834618828 583133613 /nfs/dbraw/zinc/13/36/13/583133613.db2.gz RQOYKEKXXUEOHQ-GXSJLCMTSA-N 2 0 251.334 -0.115 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1[nH]nc2c1C[NH2+]CC2 ZINC000834845733 583137289 /nfs/dbraw/zinc/13/72/89/583137289.db2.gz GFAFYZZJHMVSJV-SECBINFHSA-N 2 0 285.298 -0.218 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000834861185 583137990 /nfs/dbraw/zinc/13/79/90/583137990.db2.gz GGSAWCNUKYFPQD-IUCAKERBSA-N 2 0 263.345 -0.087 20 0 CBADRP C[C@H](CNC(=O)N(CC[NH3+])CCO)[NH+]1CCCCC1 ZINC000841726497 583173353 /nfs/dbraw/zinc/17/33/53/583173353.db2.gz RRNISDJWHHUSLM-GFCCVEGCSA-N 2 0 272.393 -0.177 20 0 CBADRP CN(C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC([NH3+])C1 ZINC000841790481 583173962 /nfs/dbraw/zinc/17/39/62/583173962.db2.gz XIBNWFVLYXLXEN-MVKMKZAISA-N 2 0 282.388 -0.019 20 0 CBADRP O=C(NCC[NH2+]C1CC1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000841790189 583174008 /nfs/dbraw/zinc/17/40/08/583174008.db2.gz AJDYWQUGAHQDSK-CHWSQXEVSA-N 2 0 282.388 -0.099 20 0 CBADRP CC1(C)C[NH2+]CCN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000841849062 583174913 /nfs/dbraw/zinc/17/49/13/583174913.db2.gz ONTCRUVLEFEUDQ-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP CC1(C)CN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000841854972 583175355 /nfs/dbraw/zinc/17/53/55/583175355.db2.gz DBUBFZLIZFKGCK-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000842014928 583177666 /nfs/dbraw/zinc/17/76/66/583177666.db2.gz GOIXFLDIEPQVHG-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000842016015 583177957 /nfs/dbraw/zinc/17/79/57/583177957.db2.gz QMERSUUDOKSACG-FRRDWIJNSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[NH+]1CCCCC1 ZINC000842016075 583177971 /nfs/dbraw/zinc/17/79/71/583177971.db2.gz RIYVMLNJDGKQTI-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)[NH+]1CCCCC1 ZINC000842015449 583178226 /nfs/dbraw/zinc/17/82/26/583178226.db2.gz LMJDNJDEOFSXCQ-LBPRGKRZSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H](C)[NH3+])C(C)C ZINC000842229056 583181771 /nfs/dbraw/zinc/18/17/71/583181771.db2.gz HQIQHNIUQDILBF-JTQLQIEISA-N 2 0 258.366 -0.704 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)C[NH3+])C1 ZINC000842255031 583182212 /nfs/dbraw/zinc/18/22/12/583182212.db2.gz QKPVTWXQODNVND-WDEREUQCSA-N 2 0 270.377 -0.561 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@]3(F)CC[NH2+]C3)C[C@H]2[NH3+])cn1 ZINC000842514610 583184924 /nfs/dbraw/zinc/18/49/24/583184924.db2.gz GDKOOKBJWZHWKW-DMDPSCGWSA-N 2 0 281.335 -0.625 20 0 CBADRP CC(C)CN1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000843054816 583198780 /nfs/dbraw/zinc/19/87/80/583198780.db2.gz JDBJGLFZKYCRAK-UHFFFAOYSA-N 2 0 261.391 -0.438 20 0 CBADRP C[C@@]1(C[NH+]2CCC(C(=O)NCCO)CC2)CC[NH2+]C1 ZINC000843060679 583199116 /nfs/dbraw/zinc/19/91/16/583199116.db2.gz LDRWKRSHWAZQJB-CQSZACIVSA-N 2 0 269.389 -0.194 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000843326857 583209031 /nfs/dbraw/zinc/20/90/31/583209031.db2.gz XESSOYUYSUPFOC-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]CCOCC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000843328021 583209051 /nfs/dbraw/zinc/20/90/51/583209051.db2.gz SOCIBWYDSYDLDQ-UHFFFAOYSA-N 2 0 251.330 -0.221 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000843338588 583210452 /nfs/dbraw/zinc/21/04/52/583210452.db2.gz SXRGGJOJQUOTDP-LLVKDONJSA-N 2 0 254.378 -0.510 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843355312 583211997 /nfs/dbraw/zinc/21/19/97/583211997.db2.gz QULHKOVWGFIWBC-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H](NC(=O)C[N@H+](C)C1CCC([NH3+])CC1)C(=O)N(C)C ZINC000843355417 583212056 /nfs/dbraw/zinc/21/20/56/583212056.db2.gz NXNRTJVTYKVGLJ-VOMCLLRMSA-N 2 0 284.404 -0.219 20 0 CBADRP C[NH2+]CCN(C)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1C ZINC000843452399 583221157 /nfs/dbraw/zinc/22/11/57/583221157.db2.gz HFHWQHNWUISZFD-OLZOCXBDSA-N 2 0 279.388 -0.291 20 0 CBADRP C[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000843472228 583224551 /nfs/dbraw/zinc/22/45/51/583224551.db2.gz XLRFABLYTVWOKR-MRVPVSSYSA-N 2 0 250.302 -0.339 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843475542 583225423 /nfs/dbraw/zinc/22/54/23/583225423.db2.gz ATPVYPRGQBEMAE-KGLIPLIRSA-N 2 0 296.415 -0.739 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000843482910 583226812 /nfs/dbraw/zinc/22/68/12/583226812.db2.gz AKAUYNMNTYPZEL-WOPDTQHZSA-N 2 0 253.346 -0.425 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000843482285 583226906 /nfs/dbraw/zinc/22/69/06/583226906.db2.gz PMPRICGOWRZKON-DCAQKATOSA-N 2 0 259.325 -0.429 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000843487146 583227452 /nfs/dbraw/zinc/22/74/52/583227452.db2.gz ZXWIZDVYHSJGGU-UTUOFQBUSA-N 2 0 255.362 -0.001 20 0 CBADRP CC[NH2+]CC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000843493805 583228834 /nfs/dbraw/zinc/22/88/34/583228834.db2.gz PHNNUVWNNICYHB-UHFFFAOYSA-N 2 0 256.394 -0.308 20 0 CBADRP O=C(CCCC[NH+]1CCCC1)NCC(=O)N1CC[NH2+]CC1 ZINC000844162620 583255119 /nfs/dbraw/zinc/25/51/19/583255119.db2.gz BDBZAOWXGGQAHK-UHFFFAOYSA-N 2 0 296.415 -0.200 20 0 CBADRP C[N@H+](CCNC(=O)CO[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000844175166 583257251 /nfs/dbraw/zinc/25/72/51/583257251.db2.gz CELNMMONSMTUFM-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000844179004 583257875 /nfs/dbraw/zinc/25/78/75/583257875.db2.gz CLHONJJPYASAEF-MGPQQGTHSA-N 2 0 297.399 -0.266 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844181467 583258466 /nfs/dbraw/zinc/25/84/66/583258466.db2.gz RFFJPMUEUBNULD-KGLIPLIRSA-N 2 0 299.415 -0.018 20 0 CBADRP C[C@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000844190155 583259838 /nfs/dbraw/zinc/25/98/38/583259838.db2.gz CORSZMOXZANJIV-KGLIPLIRSA-N 2 0 298.431 -0.493 20 0 CBADRP CC[NH2+]CC(=O)NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000844190908 583259994 /nfs/dbraw/zinc/25/99/94/583259994.db2.gz FNZQTOBMZMXPDH-GFCCVEGCSA-N 2 0 256.394 -0.262 20 0 CBADRP CC[NH2+]CC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000844192053 583260084 /nfs/dbraw/zinc/26/00/84/583260084.db2.gz GCCPDABEBRGREL-LBPRGKRZSA-N 2 0 256.394 -0.404 20 0 CBADRP COC1CC[NH+](CCNC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844189411 583260142 /nfs/dbraw/zinc/26/01/42/583260142.db2.gz MTXCFXJUAXEFBH-AWEZNQCLSA-N 2 0 299.415 -0.018 20 0 CBADRP COC[C@H]1C[C@@H](O)CN1C[C@H](O)C[NH+]1CCCC1 ZINC000844401250 583269854 /nfs/dbraw/zinc/26/98/54/583269854.db2.gz HYKHQPVSUVACDU-JHJVBQTASA-N 2 0 258.362 -0.475 20 0 CBADRP Cc1cc(N2CCN(CC[NH+](C)C)C(=O)C2)nc(N)[nH+]1 ZINC000845631681 583332060 /nfs/dbraw/zinc/33/20/60/583332060.db2.gz RZOBXCRKWFXOMB-UHFFFAOYSA-N 2 0 278.360 -0.423 20 0 CBADRP C[N@H+](CCCCCC[NH3+])CC(=O)N1CC[NH2+]CC1 ZINC000846216883 583355544 /nfs/dbraw/zinc/35/55/44/583355544.db2.gz WYRYPQBOJQTYCZ-UHFFFAOYSA-N 3 0 256.394 -0.131 20 0 CBADRP [NH3+]CCCCCC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000846221345 583356050 /nfs/dbraw/zinc/35/60/50/583356050.db2.gz XIBFAHYBMBPWRM-LLVKDONJSA-N 2 0 268.361 -0.852 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000846344548 583359178 /nfs/dbraw/zinc/35/91/78/583359178.db2.gz SDFZXYNQAWALNT-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000846687474 583383329 /nfs/dbraw/zinc/38/33/29/583383329.db2.gz PDIXRVCRMBKKQW-CYBMUJFWSA-N 2 0 273.352 -0.085 20 0 CBADRP [NH3+]C[C@@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)C(F)(F)F ZINC000848436981 583446723 /nfs/dbraw/zinc/44/67/23/583446723.db2.gz CFLGXUYEUQDHSZ-SSDOTTSWSA-N 2 0 277.250 -0.325 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848614799 583452774 /nfs/dbraw/zinc/45/27/74/583452774.db2.gz XPQLARDNMVUCMF-TUAOUCFPSA-N 2 0 282.388 -0.417 20 0 CBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000848614839 583452903 /nfs/dbraw/zinc/45/29/03/583452903.db2.gz YODWQMSMSBVUSX-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1C[N@H+](C)CCN1C ZINC000849008021 583467452 /nfs/dbraw/zinc/46/74/52/583467452.db2.gz MACVIOVGMKKKBJ-GHMZBOCLSA-N 2 0 257.382 -0.619 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1nnnn1C ZINC000849015767 583468230 /nfs/dbraw/zinc/46/82/30/583468230.db2.gz FFFFWEIFJBLEFL-SNVBAGLBSA-N 2 0 280.380 -0.649 20 0 CBADRP CCOCCCNC(=[NH2+])NC[C@]1(O)CC[N@H+](C)C1 ZINC000849019202 583468569 /nfs/dbraw/zinc/46/85/69/583468569.db2.gz RAFBKPIKHLLWLS-GFCCVEGCSA-N 2 0 258.366 -0.406 20 0 CBADRP c1nnn([C@H]2CCC[NH2+]C2)c1CN1CC[NH2+]CC1 ZINC000849133284 583472289 /nfs/dbraw/zinc/47/22/89/583472289.db2.gz MGOAQHJRCUBDJV-NSHDSACASA-N 2 0 250.350 -0.392 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@H]1CC[NH2+]C1 ZINC000851655928 583517992 /nfs/dbraw/zinc/51/79/92/583517992.db2.gz CRAMTENYEWFRCZ-TUAOUCFPSA-N 2 0 268.361 -0.489 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])C1 ZINC000851689588 583521994 /nfs/dbraw/zinc/52/19/94/583521994.db2.gz QWLXQOSDVDIZKJ-UWVGGRQHSA-N 2 0 256.350 -0.950 20 0 CBADRP O=C1N[C@@H]2C[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC[C@H]2CO1 ZINC000852752658 583551628 /nfs/dbraw/zinc/55/16/28/583551628.db2.gz GPUGYIKXLDAKRQ-SDDRHHMPSA-N 2 0 281.356 -0.062 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN([C@H]2CCC(=O)NC2=O)CCO1 ZINC000852761750 583552245 /nfs/dbraw/zinc/55/22/45/583552245.db2.gz ZSEOBXPZCWWNLU-NEPJUHHUSA-N 2 0 283.372 -0.166 20 0 CBADRP C[NH+](C)CCC[C@H]1CN([C@@H]2CCC(=O)NC2=O)CCO1 ZINC000852761751 583552249 /nfs/dbraw/zinc/55/22/49/583552249.db2.gz ZSEOBXPZCWWNLU-NWDGAFQWSA-N 2 0 283.372 -0.166 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852790048 583552706 /nfs/dbraw/zinc/55/27/06/583552706.db2.gz NRRFLRZYARSVFR-NXEZZACHSA-N 2 0 254.334 -0.452 20 0 CBADRP [NH3+]CCOc1cccc(NC(=O)C2(O)C[NH2+]C2)c1 ZINC000852796646 583552936 /nfs/dbraw/zinc/55/29/36/583552936.db2.gz RDDGDPFUIYNGOF-UHFFFAOYSA-N 2 0 251.286 -0.703 20 0 CBADRP CCCN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@@H]1CC[NH2+]C1 ZINC000852796743 583552988 /nfs/dbraw/zinc/55/29/88/583552988.db2.gz WZEDJQZTMXIAMJ-NXEZZACHSA-N 2 0 254.334 -0.310 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C=C1CC[NH2+]CC1 ZINC000852793893 583553036 /nfs/dbraw/zinc/55/30/36/583553036.db2.gz IUTSSXOMHUOLEW-UHFFFAOYSA-N 2 0 280.372 -0.814 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]2[NH2+]CC23CCOCC3)C1 ZINC000852825028 583556458 /nfs/dbraw/zinc/55/64/58/583556458.db2.gz ILDVAGJHOJZTON-NWDGAFQWSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1[NH2+]CC12CCOCC2 ZINC000852824773 583556576 /nfs/dbraw/zinc/55/65/76/583556576.db2.gz BHVPKGTWDKGHAZ-WDEREUQCSA-N 2 0 253.346 -0.377 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000852854315 583561270 /nfs/dbraw/zinc/56/12/70/583561270.db2.gz DJWLERURCPOYFL-ZDUSSCGKSA-N 2 0 288.367 -0.834 20 0 CBADRP CC[NH+]1CCC(NC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852854997 583561608 /nfs/dbraw/zinc/56/16/08/583561608.db2.gz SUJJMKXYUXZYCX-SNVBAGLBSA-N 2 0 254.334 -0.310 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852854680 583561622 /nfs/dbraw/zinc/56/16/22/583561622.db2.gz MTPALBMAYUDFRR-SNVBAGLBSA-N 2 0 256.350 -0.062 20 0 CBADRP CC1CC[NH+](CCNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852858972 583562096 /nfs/dbraw/zinc/56/20/96/583562096.db2.gz JXTDODQUJVLHCW-LLVKDONJSA-N 2 0 268.361 -0.062 20 0 CBADRP C[NH+](C)CC1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852858579 583562185 /nfs/dbraw/zinc/56/21/85/583562185.db2.gz DZZIFBGFHYOPDN-NSHDSACASA-N 2 0 268.361 -0.110 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852860629 583562413 /nfs/dbraw/zinc/56/24/13/583562413.db2.gz TUPNWJWOZSSAMT-QWRGUYRKSA-N 2 0 268.361 -0.110 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852863843 583563413 /nfs/dbraw/zinc/56/34/13/583563413.db2.gz SDJJLNFLLIQOJZ-JTQLQIEISA-N 2 0 256.350 -0.062 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852869589 583564737 /nfs/dbraw/zinc/56/47/37/583564737.db2.gz IFSASBHXMPHVLS-SNVBAGLBSA-N 2 0 256.350 -0.062 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)CC[N@@H+]1C ZINC000852868818 583564873 /nfs/dbraw/zinc/56/48/73/583564873.db2.gz VKXHEEYWWGLGEI-KXUCPTDWSA-N 2 0 254.334 -0.311 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)=NO1 ZINC000852873985 583565452 /nfs/dbraw/zinc/56/54/52/583565452.db2.gz IMFORMHOWXMBOH-UWVGGRQHSA-N 2 0 252.318 -0.557 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852872887 583565467 /nfs/dbraw/zinc/56/54/67/583565467.db2.gz SPCAHNNRFPLOOO-QRTLGDNMSA-N 2 0 266.345 -0.311 20 0 CBADRP C[NH+](C)C1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852873894 583565645 /nfs/dbraw/zinc/56/56/45/583565645.db2.gz HGJVNRUNUNLKKZ-SNVBAGLBSA-N 2 0 254.334 -0.357 20 0 CBADRP C[C@]1(CNC(=O)C2=NO[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000852875623 583565805 /nfs/dbraw/zinc/56/58/05/583565805.db2.gz LPUGNCOYTGCYDU-CABZTGNLSA-N 2 0 254.334 -0.404 20 0 CBADRP C[NH2+]CCC1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852875099 583565845 /nfs/dbraw/zinc/56/58/45/583565845.db2.gz SOEJJBZXDAPRFI-LLVKDONJSA-N 2 0 268.361 -0.062 20 0 CBADRP C[NH2+]CCC1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852875100 583565864 /nfs/dbraw/zinc/56/58/64/583565864.db2.gz SOEJJBZXDAPRFI-NSHDSACASA-N 2 0 268.361 -0.062 20 0 CBADRP CC1(CNC(=O)C2=NO[C@H](C[NH3+])C2)CC[NH2+]CC1 ZINC000852875954 583566113 /nfs/dbraw/zinc/56/61/13/583566113.db2.gz UKIONPBYIWQVNA-VIFPVBQESA-N 2 0 254.334 -0.404 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)=NO1 ZINC000852878826 583566406 /nfs/dbraw/zinc/56/64/06/583566406.db2.gz PYACFPIHOLSUCT-AEJSXWLSSA-N 2 0 252.318 -0.557 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)=NO1 ZINC000852878846 583566456 /nfs/dbraw/zinc/56/64/56/583566456.db2.gz ADFGQLNKKRWRQC-GWCFXTLKSA-N 2 0 266.345 -0.308 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852879798 583566805 /nfs/dbraw/zinc/56/68/05/583566805.db2.gz ZMWVDNKHNWMBCY-VHSXEESVSA-N 2 0 254.334 -0.323 20 0 CBADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)C1(O)C[NH2+]C1 ZINC000852881008 583566860 /nfs/dbraw/zinc/56/68/60/583566860.db2.gz QNCPXLPTIHIXPX-LBPRGKRZSA-N 2 0 261.325 -0.676 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000852881538 583567134 /nfs/dbraw/zinc/56/71/34/583567134.db2.gz MHOLHWTUKHECKS-CIUDSAMLSA-N 2 0 263.288 -0.536 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)=NO1 ZINC000852882675 583567447 /nfs/dbraw/zinc/56/74/47/583567447.db2.gz NYMNWVPGSQZSBA-ATZCPNFKSA-N 2 0 252.318 -0.700 20 0 CBADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852885469 583568673 /nfs/dbraw/zinc/56/86/73/583568673.db2.gz VJGIDZQFWWNFLH-PWSUYJOCSA-N 2 0 268.361 -0.111 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)=NO1 ZINC000852893775 583570675 /nfs/dbraw/zinc/57/06/75/583570675.db2.gz JUTSAHIHACYSEF-GXSJLCMTSA-N 2 0 266.345 -0.119 20 0 CBADRP [NH3+]CCC1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852896236 583571246 /nfs/dbraw/zinc/57/12/46/583571246.db2.gz WAMSIQDKIWVTNV-JTQLQIEISA-N 2 0 254.334 -0.323 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)CCO1 ZINC000852924826 583575264 /nfs/dbraw/zinc/57/52/64/583575264.db2.gz UZSMXECLAWSIQD-NEPJUHHUSA-N 2 0 298.387 -0.341 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2SCCS2)CC1 ZINC000853120162 583578363 /nfs/dbraw/zinc/57/83/63/583578363.db2.gz UDIJWTYGFLAQEK-NSHDSACASA-N 2 0 291.486 -0.010 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000857106812 583664927 /nfs/dbraw/zinc/66/49/27/583664927.db2.gz ANRZNPSWANQXQS-NWDGAFQWSA-N 2 0 269.393 -0.587 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000857106813 583664972 /nfs/dbraw/zinc/66/49/72/583664972.db2.gz ANRZNPSWANQXQS-RYUDHWBXSA-N 2 0 269.393 -0.587 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000857107425 583664985 /nfs/dbraw/zinc/66/49/85/583664985.db2.gz VIHWWFNUNBQDEO-NWDGAFQWSA-N 2 0 269.393 -0.587 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000857107339 583665029 /nfs/dbraw/zinc/66/50/29/583665029.db2.gz RRJGMTBDFYVQLD-GARJFASQSA-N 2 0 256.350 -0.816 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000861573345 583771296 /nfs/dbraw/zinc/77/12/96/583771296.db2.gz GCBZTTDSRKBTEE-NEPJUHHUSA-N 2 0 271.409 -0.389 20 0 CBADRP CN(CCOCC[NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000861646225 583775272 /nfs/dbraw/zinc/77/52/72/583775272.db2.gz OVZIBFULXBRJAZ-VIFPVBQESA-N 2 0 280.319 -0.400 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000861647049 583775451 /nfs/dbraw/zinc/77/54/51/583775451.db2.gz ZKCATNMSHGRJJE-VHSXEESVSA-N 2 0 292.330 -0.651 20 0 CBADRP [NH3+]CCCCCCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000861648609 583775841 /nfs/dbraw/zinc/77/58/41/583775841.db2.gz YGWUTYCDBIQRAJ-GFCCVEGCSA-N 2 0 272.393 -0.129 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000861693550 583778155 /nfs/dbraw/zinc/77/81/55/583778155.db2.gz WFZLXIXCHZKGJL-MNOVXSKESA-N 2 0 256.350 -0.645 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000861693044 583778170 /nfs/dbraw/zinc/77/81/70/583778170.db2.gz OILPUDYOPIYXGA-LLVKDONJSA-N 2 0 258.366 -0.268 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000861729305 583781642 /nfs/dbraw/zinc/78/16/42/583781642.db2.gz RPSLIIHJJSBGCS-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000861744719 583783261 /nfs/dbraw/zinc/78/32/61/583783261.db2.gz ODCRIKAPOCVNPL-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000861744898 583783324 /nfs/dbraw/zinc/78/33/24/583783324.db2.gz PZLSVFSLVVYHTK-SRVKXCTJSA-N 2 0 284.404 -0.219 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861753493 583784183 /nfs/dbraw/zinc/78/41/83/583784183.db2.gz XWXYTENSNPYRDC-NSHDSACASA-N 2 0 272.393 -0.360 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000861763219 583785066 /nfs/dbraw/zinc/78/50/66/583785066.db2.gz MGEKIAYFUYGOKH-NXEZZACHSA-N 2 0 270.377 -0.609 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000861772990 583785628 /nfs/dbraw/zinc/78/56/28/583785628.db2.gz GDJVZTCKLWCDIP-QJPTWQEYSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000861772991 583785690 /nfs/dbraw/zinc/78/56/90/583785690.db2.gz GDJVZTCKLWCDIP-SDDRHHMPSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000861783100 583786307 /nfs/dbraw/zinc/78/63/07/583786307.db2.gz RUJWXPCITHUCQP-UNXYVOJBSA-N 2 0 284.404 -0.219 20 0 CBADRP C[NH+](C)CCNC(=S)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863236619 583835253 /nfs/dbraw/zinc/83/52/53/583835253.db2.gz NYCBHMVQXHNEOF-SNVBAGLBSA-N 2 0 260.407 -0.921 20 0 CBADRP C[NH+]1CCC(NC(=S)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000863252789 583835641 /nfs/dbraw/zinc/83/56/41/583835641.db2.gz AUVLZQFSHKZPFO-LBPRGKRZSA-N 2 0 286.445 -0.389 20 0 CBADRP C[NH+](C)C1(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)CCC1 ZINC000863319177 583837483 /nfs/dbraw/zinc/83/74/83/583837483.db2.gz HEJCNQLAKFFBQM-LLVKDONJSA-N 2 0 255.362 -0.347 20 0 CBADRP [NH3+]CC1(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC1 ZINC000863643305 583850114 /nfs/dbraw/zinc/85/01/14/583850114.db2.gz KJSGETPXPBOOTD-OLZOCXBDSA-N 3 0 294.399 -0.018 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000863750300 583852350 /nfs/dbraw/zinc/85/23/50/583852350.db2.gz LYIWVEWCSJYQKN-NEPJUHHUSA-N 2 0 284.404 -0.408 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000863751665 583852634 /nfs/dbraw/zinc/85/26/34/583852634.db2.gz NCYDJHXZRMAAEM-QWRGUYRKSA-N 2 0 270.377 -0.655 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000863753836 583852737 /nfs/dbraw/zinc/85/27/37/583852737.db2.gz JJVVJFRMWPLXRK-VXGBXAGGSA-N 2 0 298.431 -0.019 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@H](C)[NH3+])[C@@H](C)C1 ZINC000863761442 583854352 /nfs/dbraw/zinc/85/43/52/583854352.db2.gz HFVMCIQAJKPHGY-AVGNSLFASA-N 2 0 298.431 -0.019 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000863768694 583855207 /nfs/dbraw/zinc/85/52/07/583855207.db2.gz RUXNVHIIHHPCRI-NSHDSACASA-N 2 0 284.404 -0.265 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000863774099 583855922 /nfs/dbraw/zinc/85/59/22/583855922.db2.gz PLUFLMGEBXFUFJ-BXUZGUMPSA-N 2 0 282.388 -0.654 20 0 CBADRP C[NH+](C)C1(C(=O)NCC[N@@H+]2CC[C@H](O)C2)CCC1 ZINC000863831289 583858942 /nfs/dbraw/zinc/85/89/42/583858942.db2.gz HEJCNQLAKFFBQM-NSHDSACASA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]C[C@]23COCCN2C(=O)COC3)CC[N@@H+]1C ZINC000866554169 583924018 /nfs/dbraw/zinc/92/40/18/583924018.db2.gz GAZPJVIPFBMPAU-UMVBOHGHSA-N 2 0 297.399 -0.314 20 0 CBADRP CC1(C)CC[NH2+]CC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000866699338 583927563 /nfs/dbraw/zinc/92/75/63/583927563.db2.gz LQPMNGZAKVMBBH-UHFFFAOYSA-N 3 0 268.405 -0.118 20 0 CBADRP CN1C(=O)[C@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)C[C@H]2C1=O ZINC000866702043 583927823 /nfs/dbraw/zinc/92/78/23/583927823.db2.gz SQPKLEXRNZAEID-GARJFASQSA-N 2 0 251.330 -0.467 20 0 CBADRP CN1C(=O)[C@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)C[C@H]2C1=O ZINC000866701691 583927828 /nfs/dbraw/zinc/92/78/28/583927828.db2.gz MQCXXRDHPASIND-MXWKQRLJSA-N 2 0 251.330 -0.467 20 0 CBADRP CN1C(=O)[C@H]2C[N@H+](CCC3CC[NH2+]CC3)C[C@H]2C1=O ZINC000866701708 583927848 /nfs/dbraw/zinc/92/78/48/583927848.db2.gz MVPYMYGGYYXASO-TXEJJXNPSA-N 2 0 265.357 -0.077 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(CCN3CC[NH2+]CC3)CC[C@H]21 ZINC000866703365 583927850 /nfs/dbraw/zinc/92/78/50/583927850.db2.gz HQKXUDYBSKBANM-ZIAGYGMSSA-N 2 0 252.406 -0.082 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(CCN3CC[NH2+]CC3)CC[C@@H]21 ZINC000866703363 583927892 /nfs/dbraw/zinc/92/78/92/583927892.db2.gz HQKXUDYBSKBANM-KGLIPLIRSA-N 2 0 252.406 -0.082 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000866708742 583928036 /nfs/dbraw/zinc/92/80/36/583928036.db2.gz OIRKTIDWMJFSFS-HZSPNIEDSA-N 3 0 294.399 -0.147 20 0 CBADRP O=C1NCCO[C@@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)[C@@H]12 ZINC000866717910 583928725 /nfs/dbraw/zinc/92/87/25/583928725.db2.gz TZTTZYAGNZOKRU-YNEHKIRRSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(CCN1CCC[C@@H]2[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC000866724101 583928806 /nfs/dbraw/zinc/92/88/06/583928806.db2.gz IDEKSZGVRQAQCM-QWHCGFSZSA-N 2 0 266.389 -0.365 20 0 CBADRP CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000866767750 583931733 /nfs/dbraw/zinc/93/17/33/583931733.db2.gz GHYVTRCHSZPGGU-VHSXEESVSA-N 2 0 279.406 -0.732 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000866769857 583932040 /nfs/dbraw/zinc/93/20/40/583932040.db2.gz PXLYYBRBKWVVPT-QWRGUYRKSA-N 2 0 291.417 -0.718 20 0 CBADRP C[C@H](NC(=O)C[C@H]1COCC[NH2+]1)C1CC[NH2+]CC1 ZINC000868013052 583969166 /nfs/dbraw/zinc/96/91/66/583969166.db2.gz ZYZVDFPYKAEWEU-JQWIXIFHSA-N 2 0 255.362 -0.131 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC[NH2+]CC3)CC[C@H]21 ZINC000868386689 583976631 /nfs/dbraw/zinc/97/66/31/583976631.db2.gz KNAUPMUFLXFSBC-QWHCGFSZSA-N 2 0 294.399 -0.639 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC000868388220 583976667 /nfs/dbraw/zinc/97/66/67/583976667.db2.gz XAGAGOWKFGQUFI-XQQFMLRXSA-N 2 0 294.399 -0.641 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C[NH3+])C3)CC[C@@H]21 ZINC000868388590 583976882 /nfs/dbraw/zinc/97/68/82/583976882.db2.gz XVPRHDTUYGFABK-XQQFMLRXSA-N 2 0 294.399 -0.654 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC[C@H]21 ZINC000868399075 583977249 /nfs/dbraw/zinc/97/72/49/583977249.db2.gz AYRPGJRQKZNHJU-MROQNXINSA-N 2 0 292.383 -0.888 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)CC[NH2+]1 ZINC000868405506 583977971 /nfs/dbraw/zinc/97/79/71/583977971.db2.gz IYXLVTQKEVAAEA-LBPRGKRZSA-N 2 0 296.415 -0.251 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868411668 583978290 /nfs/dbraw/zinc/97/82/90/583978290.db2.gz ZRJTZFXLASSAHG-RYUDHWBXSA-N 2 0 296.415 -0.265 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C[NH+](C)C ZINC000870019055 584007307 /nfs/dbraw/zinc/00/73/07/584007307.db2.gz NZNZCNDRVVURSG-VXGBXAGGSA-N 2 0 298.431 -0.304 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000870913468 584021405 /nfs/dbraw/zinc/02/14/05/584021405.db2.gz BOYPKGHPEOOUDK-KYEXWDHISA-N 2 0 278.400 -0.380 20 0 CBADRP O=C(CC[NH2+]CC1CC1)NCCN1CC[NH2+]CC1 ZINC000870933216 584021702 /nfs/dbraw/zinc/02/17/02/584021702.db2.gz RHRDWGBOOIIMSD-UHFFFAOYSA-N 2 0 254.378 -0.603 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CC[NH2+]CC2CC2)C1 ZINC000870935481 584022041 /nfs/dbraw/zinc/02/20/41/584022041.db2.gz YFDFPLMXHXBWOE-CYBMUJFWSA-N 2 0 296.415 -0.310 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)CC[NH2+]CC2CC2)CCCO1 ZINC000870944686 584022847 /nfs/dbraw/zinc/02/28/47/584022847.db2.gz CIQYGFQPSJLRBG-LBPRGKRZSA-N 2 0 255.362 -0.048 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974705 584023659 /nfs/dbraw/zinc/02/36/59/584023659.db2.gz OVRZWKXPDPBVKD-ZSBIGDGJSA-N 2 0 255.362 -0.131 20 0 CBADRP CC(C)([NH3+])CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870997950 584024656 /nfs/dbraw/zinc/02/46/56/584024656.db2.gz AZOJRXQCGYOEBB-AXFHLTTASA-N 2 0 296.371 -0.493 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[NH2+]CCO2)Cc2cccnc21 ZINC000871019948 584025039 /nfs/dbraw/zinc/02/50/39/584025039.db2.gz HLGMBQHWVLTCPH-LBPRGKRZSA-N 2 0 276.340 -0.152 20 0 CBADRP COCCN(C)C(=[NH2+])NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000871604022 584043333 /nfs/dbraw/zinc/04/33/33/584043333.db2.gz PZEUMKBOXILULF-GFCCVEGCSA-N 2 0 271.409 -0.275 20 0 CBADRP COCCN(C)C(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000871603957 584043440 /nfs/dbraw/zinc/04/34/40/584043440.db2.gz NYGPRAREGWMONK-RYUDHWBXSA-N 2 0 270.377 -0.048 20 0 CBADRP COCCN(C)C(=[NH2+])NC[C@H]1C[N@H+](C)CCN1C ZINC000871604969 584043713 /nfs/dbraw/zinc/04/37/13/584043713.db2.gz KDMASFDDYHXVCP-NSHDSACASA-N 2 0 257.382 -0.665 20 0 CBADRP Cn1nnnc1C1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000872146226 584048276 /nfs/dbraw/zinc/04/82/76/584048276.db2.gz IPZBRVVWFNALGW-GFCCVEGCSA-N 2 0 292.387 -0.090 20 0 CBADRP C[N@H+](CCCCCC[NH3+])CC(=O)N1CCNC(=O)C1 ZINC000872155287 584048510 /nfs/dbraw/zinc/04/85/10/584048510.db2.gz QIYFUXINTDCULM-UHFFFAOYSA-N 2 0 270.377 -0.604 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872186078 584048658 /nfs/dbraw/zinc/04/86/58/584048658.db2.gz HMHCUKYBKWHHRK-SMDDNHRTSA-N 2 0 282.388 -0.926 20 0 CBADRP C[C@H](O)[C@H](O)C[NH2+]C[C@H](O)CN(C)Cc1ccccc1 ZINC000872225377 584051187 /nfs/dbraw/zinc/05/11/87/584051187.db2.gz JGJXZXPJOWIDJH-AEGPPILISA-N 2 0 282.384 -0.189 20 0 CBADRP Cn1ccnc1CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872254547 584052338 /nfs/dbraw/zinc/05/23/38/584052338.db2.gz HIIUQIYOMGAWJP-UTUOFQBUSA-N 2 0 291.355 -0.213 20 0 CBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000872276719 584053013 /nfs/dbraw/zinc/05/30/13/584053013.db2.gz QREOKTJQOGDWCX-VHSXEESVSA-N 2 0 268.361 -0.016 20 0 CBADRP CN(CCN1CC[NH2+]CC1)Cc1cnc(N)cn1 ZINC000873200714 584068531 /nfs/dbraw/zinc/06/85/31/584068531.db2.gz FFVLGYMLCHTFON-UHFFFAOYSA-N 2 0 250.350 -0.604 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000873250926 584069287 /nfs/dbraw/zinc/06/92/87/584069287.db2.gz UCIXNQSDYHWDOG-CKYFFXLPSA-N 2 0 255.318 -0.323 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000873265389 584069502 /nfs/dbraw/zinc/06/95/02/584069502.db2.gz HOIASCSHEIBATD-WZRBSPASSA-N 2 0 269.345 -0.916 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000873265387 584069570 /nfs/dbraw/zinc/06/95/70/584069570.db2.gz HOIASCSHEIBATD-NTZNESFSSA-N 2 0 269.345 -0.916 20 0 CBADRP C[C@H](CCCC[NH3+])[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000873264673 584069587 /nfs/dbraw/zinc/06/95/87/584069587.db2.gz DGIBIKLDAKBCOP-TZMCWYRMSA-N 2 0 285.388 -0.279 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000873267158 584069873 /nfs/dbraw/zinc/06/98/73/584069873.db2.gz WXVYJSNZJWCCCG-GZBFAFLISA-N 2 0 297.399 -0.279 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)NCCCN2CC[NH2+]CC2)C1(F)F ZINC000876502587 584129605 /nfs/dbraw/zinc/12/96/05/584129605.db2.gz FGVQSGRCKCYCEH-NXEZZACHSA-N 2 0 276.331 -0.762 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000876502577 584129628 /nfs/dbraw/zinc/12/96/28/584129628.db2.gz DXZOAFGCVHBHCS-LJJWDDLZSA-N 2 0 280.416 -0.190 20 0 CBADRP O=C(/C=C/[C@H]1CCC[NH2+]C1)NCCCN1CC[NH2+]CC1 ZINC000876502948 584129802 /nfs/dbraw/zinc/12/98/02/584129802.db2.gz UGUOIODXBBMPIQ-ISZGNANSSA-N 2 0 280.416 -0.046 20 0 CBADRP COC[C@]1(C(=O)NCC2CC[NH2+]CC2)C[NH2+]CCO1 ZINC000876507551 584130162 /nfs/dbraw/zinc/13/01/62/584130162.db2.gz JTOUBNUCDUSHND-ZDUSSCGKSA-N 2 0 271.361 -0.893 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000876514526 584130618 /nfs/dbraw/zinc/13/06/18/584130618.db2.gz XOVKHBDXQJMZMF-NTZNESFSSA-N 2 0 255.362 -0.049 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000876519445 584130880 /nfs/dbraw/zinc/13/08/80/584130880.db2.gz DIKUOZAKTGSOKR-LBPRGKRZSA-N 2 0 292.387 -0.681 20 0 CBADRP C[C@H]1CN(C(=O)c2c(C[NH3+])cnn2C)C[C@H](C)[NH2+]1 ZINC000876531202 584131807 /nfs/dbraw/zinc/13/18/07/584131807.db2.gz YPQVGPKAKFEPIT-IUCAKERBSA-N 2 0 251.334 -0.299 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000876532995 584131843 /nfs/dbraw/zinc/13/18/43/584131843.db2.gz NLOCHDMAZNQLIL-RYUDHWBXSA-N 2 0 256.394 -0.101 20 0 CBADRP COC[C@]1(C(=O)NCC2([NH+](C)C)CCCC2)C[NH2+]CCO1 ZINC000876709947 584140400 /nfs/dbraw/zinc/14/04/00/584140400.db2.gz BTRQARUVUOALBI-HNNXBMFYSA-N 2 0 299.415 -0.018 20 0 CBADRP COC[C@@]1(C(=O)NCC2([NH+](C)C)CCCC2)C[NH2+]CCO1 ZINC000876709948 584140557 /nfs/dbraw/zinc/14/05/57/584140557.db2.gz BTRQARUVUOALBI-OAHLLOKOSA-N 2 0 299.415 -0.018 20 0 CBADRP COC[C@]1(C(=O)NC2CC[NH+](C3CC3)CC2)C[NH2+]CCO1 ZINC000876717131 584140756 /nfs/dbraw/zinc/14/07/56/584140756.db2.gz XHOHIOHLIRHXNI-HNNXBMFYSA-N 2 0 297.399 -0.266 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000876726850 584141289 /nfs/dbraw/zinc/14/12/89/584141289.db2.gz ANAGZAKTVWYVQV-WFASDCNBSA-N 2 0 297.399 -0.408 20 0 CBADRP COC[C@]1(C(=O)NC[C@H](C)C[NH+]2CCCC2)C[NH2+]CCO1 ZINC000876729240 584141318 /nfs/dbraw/zinc/14/13/18/584141318.db2.gz IDFXLGVCBAOHTN-ZFWWWQNUSA-N 2 0 299.415 -0.161 20 0 CBADRP CC[N@H+](CCNC(=O)[C@]1(COC)C[NH2+]CCO1)C(C)C ZINC000876750063 584142406 /nfs/dbraw/zinc/14/24/06/584142406.db2.gz SLSPOBDYKPMBNM-CQSZACIVSA-N 2 0 287.404 -0.162 20 0 CBADRP COC[C@]1(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000876755169 584142731 /nfs/dbraw/zinc/14/27/31/584142731.db2.gz SBTNSUNOVJWDFA-ZFWWWQNUSA-N 2 0 297.399 -0.314 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000876765766 584143228 /nfs/dbraw/zinc/14/32/28/584143228.db2.gz ZUWUFYDJLSFFSX-AWEZNQCLSA-N 2 0 298.431 -0.554 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C[NH2+]CCO1 ZINC000876769067 584143627 /nfs/dbraw/zinc/14/36/27/584143627.db2.gz NCUVJSDUMKLZPN-IPYPFGDCSA-N 2 0 299.415 -0.020 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876781675 584144175 /nfs/dbraw/zinc/14/41/75/584144175.db2.gz QLVPSRBFQSYLDJ-RYUDHWBXSA-N 2 0 268.405 -0.277 20 0 CBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876782376 584144189 /nfs/dbraw/zinc/14/41/89/584144189.db2.gz POXLBDRODCWCAX-KGLIPLIRSA-N 2 0 299.463 -0.735 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000876780141 584144316 /nfs/dbraw/zinc/14/43/16/584144316.db2.gz DRSTXXLHVLMMAD-JMSVASOKSA-N 2 0 297.399 -0.267 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000876786867 584144548 /nfs/dbraw/zinc/14/45/48/584144548.db2.gz QDXNCQDJHHXHGE-STQMWFEESA-N 2 0 268.405 -0.134 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000876787556 584144577 /nfs/dbraw/zinc/14/45/77/584144577.db2.gz VEVJMRDMNABVMQ-RWMBFGLXSA-N 2 0 268.405 -0.134 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000876808203 584147221 /nfs/dbraw/zinc/14/72/21/584147221.db2.gz OXBMRBLLPACWCZ-YYAQPZEXSA-N 2 0 253.346 -0.416 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C[NH2+]CCO1 ZINC000876828676 584147681 /nfs/dbraw/zinc/14/76/81/584147681.db2.gz DWMPGIYEMADMAL-LOWVWBTDSA-N 2 0 271.361 -0.623 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CCC[NH2+]CC2)C[NH2+]CCO1 ZINC000876826305 584147781 /nfs/dbraw/zinc/14/77/81/584147781.db2.gz OMKJTVUJTQSGTD-AAEUAGOBSA-N 2 0 271.361 -0.750 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)C[NH2+]CCO1 ZINC000876833237 584148199 /nfs/dbraw/zinc/14/81/99/584148199.db2.gz HCYQNWGZZJAYBC-LOWVWBTDSA-N 2 0 271.361 -0.752 20 0 CBADRP COC[C@@]1(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C[NH2+]CCO1 ZINC000876840599 584148557 /nfs/dbraw/zinc/14/85/57/584148557.db2.gz CTLBCUWSPVKTDM-HUUCEWRRSA-N 2 0 297.399 -0.407 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000876846506 584149121 /nfs/dbraw/zinc/14/91/21/584149121.db2.gz CFKKQOZCLPTUFF-FRRDWIJNSA-N 2 0 280.416 -0.134 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000876846507 584149251 /nfs/dbraw/zinc/14/92/51/584149251.db2.gz CFKKQOZCLPTUFF-JHJVBQTASA-N 2 0 280.416 -0.134 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000876852599 584149960 /nfs/dbraw/zinc/14/99/60/584149960.db2.gz FVHHEPZMTZEYCZ-RIMBHEBDSA-N 2 0 292.427 -0.096 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC23CC[NH2+]CC3)C[NH2+]CCO1 ZINC000876855273 584150236 /nfs/dbraw/zinc/15/02/36/584150236.db2.gz QCYGHZOXCOHVAO-FZMZJTMJSA-N 2 0 283.372 -0.750 20 0 CBADRP COC[C@@]1(C(=O)N[C@H](C)CCC[NH3+])C[NH2+]CCO1 ZINC000876858450 584150491 /nfs/dbraw/zinc/15/04/91/584150491.db2.gz SSWBRNVVLHMKLP-ZYHUDNBSSA-N 2 0 259.350 -0.765 20 0 CBADRP COC[C@@]1(C(=O)N[C@H](CC[NH3+])C(F)F)C[NH2+]CCO1 ZINC000876863689 584150792 /nfs/dbraw/zinc/15/07/92/584150792.db2.gz JDXAWFJXPCWNIB-LDYMZIIASA-N 2 0 281.303 -0.910 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000876885253 584153168 /nfs/dbraw/zinc/15/31/68/584153168.db2.gz KNAFNLSOYJOJIO-AGIUHOORSA-N 2 0 268.405 -0.182 20 0 CBADRP COC[C@@]1(C(=O)N(C)CC[N@H+](C)C2CC2)C[NH2+]CCO1 ZINC000876898580 584153846 /nfs/dbraw/zinc/15/38/46/584153846.db2.gz UGPSZNCLTCNHNP-CQSZACIVSA-N 2 0 285.388 -0.456 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000876919146 584155741 /nfs/dbraw/zinc/15/57/41/584155741.db2.gz RKRZWFWYWKZWSE-CPCNUCRYSA-N 2 0 267.373 -0.026 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000876924991 584155932 /nfs/dbraw/zinc/15/59/32/584155932.db2.gz YWGZLJAANWJPOA-CYBMUJFWSA-N 2 0 252.362 -0.754 20 0 CBADRP COC[C@@]1(C(=O)NCc2ccc(C[NH3+])cc2)C[NH2+]CCO1 ZINC000876938709 584156707 /nfs/dbraw/zinc/15/67/07/584156707.db2.gz OISQONLHVGRTGY-OAHLLOKOSA-N 2 0 293.367 -0.234 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000876942018 584156926 /nfs/dbraw/zinc/15/69/26/584156926.db2.gz OHZLFBIGVJDMEW-AKJDGMEZSA-N 2 0 254.378 -0.395 20 0 CBADRP COC[C@]1(C(=O)N2CCC[N@@H+](C(C)C)CC2)C[NH2+]CCO1 ZINC000876939284 584156970 /nfs/dbraw/zinc/15/69/70/584156970.db2.gz FVPYGHRKYYHFHH-HNNXBMFYSA-N 2 0 299.415 -0.066 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876939961 584157010 /nfs/dbraw/zinc/15/70/10/584157010.db2.gz NQYNFVSYEQVSGJ-LBPRGKRZSA-N 2 0 256.394 -0.182 20 0 CBADRP COC[C@@]1(C(=O)N2CC3CCC2(C[NH3+])CC3)C[NH2+]CCO1 ZINC000876941622 584157039 /nfs/dbraw/zinc/15/70/39/584157039.db2.gz IPSKSFWVUKYXFL-PESDSKBTSA-N 2 0 297.399 -0.279 20 0 CBADRP COC[C@]1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[NH2+]CCO1 ZINC000876946180 584157280 /nfs/dbraw/zinc/15/72/80/584157280.db2.gz IAXIIGMFQXLNBD-QEJZJMRPSA-N 2 0 297.399 -0.421 20 0 CBADRP COC[C@]1(C(=O)NCCC2(C[NH3+])CC2)C[NH2+]CCO1 ZINC000876947436 584157646 /nfs/dbraw/zinc/15/76/46/584157646.db2.gz HCOCDJYMBXKTCF-ZDUSSCGKSA-N 2 0 271.361 -0.763 20 0 CBADRP C[C@@H]1CCCN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H]1CC[NH3+] ZINC000876949006 584157656 /nfs/dbraw/zinc/15/76/56/584157656.db2.gz NQHJUEMLSZIYGO-GRYCIOLGSA-N 2 0 256.394 -0.149 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[NH2+]CCO1 ZINC000876953165 584157812 /nfs/dbraw/zinc/15/78/12/584157812.db2.gz ZRKUMHJSAHKLLU-MBNYWOFBSA-N 2 0 285.388 -0.552 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C[NH2+]CCO1 ZINC000876959208 584158280 /nfs/dbraw/zinc/15/82/80/584158280.db2.gz QADVGWLMUKYEDN-DOMZBBRYSA-N 2 0 299.415 -0.020 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876960518 584158426 /nfs/dbraw/zinc/15/84/26/584158426.db2.gz FFIUIFRHOUJFRC-STQMWFEESA-N 2 0 288.411 -0.066 20 0 CBADRP COC[C@@]1(C(=O)NCC2([NH3+])CCCC2)C[NH2+]CCO1 ZINC000876964136 584158657 /nfs/dbraw/zinc/15/86/57/584158657.db2.gz UDRBETSNBGEZBI-CYBMUJFWSA-N 2 0 271.361 -0.621 20 0 CBADRP COC[C@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH2+]CCO1 ZINC000876968492 584158908 /nfs/dbraw/zinc/15/89/08/584158908.db2.gz QQRCQOFZBZNXPD-FLTXBFBQSA-N 2 0 297.399 -0.267 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000876973391 584159216 /nfs/dbraw/zinc/15/92/16/584159216.db2.gz ZIOLVOZSEBACRZ-LLYGRQDZSA-N 2 0 292.427 -0.096 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000877016686 584161719 /nfs/dbraw/zinc/16/17/19/584161719.db2.gz BSPZSSNNXYZNQQ-UTLUCORTSA-N 2 0 296.337 -0.139 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCCNC(=O)C1)N1CC[NH+](C)CC1 ZINC000877022801 584161999 /nfs/dbraw/zinc/16/19/99/584161999.db2.gz SWXXCCBZNRENDF-OLZOCXBDSA-N 2 0 268.405 -0.119 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000877023229 584162034 /nfs/dbraw/zinc/16/20/34/584162034.db2.gz IXUZKUOZRFBUOP-LOWVWBTDSA-N 2 0 271.361 -0.752 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)C=C1CC[NH2+]CC1 ZINC000877029863 584162740 /nfs/dbraw/zinc/16/27/40/584162740.db2.gz PRQVNVHQUBVKCW-UHFFFAOYSA-N 2 0 255.362 -0.009 20 0 CBADRP CN(CCOCC[NH3+])C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877060432 584164467 /nfs/dbraw/zinc/16/44/67/584164467.db2.gz XIWQNVVHGPFGLQ-NSHDSACASA-N 2 0 259.350 -0.811 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000877102538 584166064 /nfs/dbraw/zinc/16/60/64/584166064.db2.gz JYMWRMJEOZBHPQ-LBPRGKRZSA-N 2 0 256.394 -0.180 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000877103718 584166069 /nfs/dbraw/zinc/16/60/69/584166069.db2.gz YOWDIRHIKKPWGI-VHSXEESVSA-N 2 0 256.350 -0.950 20 0 CBADRP CC1(C)CC[C@H](CNC(=O)c2cn(CC[NH3+])nn2)[NH2+]C1 ZINC000877153323 584168227 /nfs/dbraw/zinc/16/82/27/584168227.db2.gz GSONNGTUQYYUDS-SNVBAGLBSA-N 2 0 280.376 -0.255 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000877160065 584168504 /nfs/dbraw/zinc/16/85/04/584168504.db2.gz QVXYSAKIVGYVGY-KGLIPLIRSA-N 2 0 278.400 -0.048 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000877185815 584169657 /nfs/dbraw/zinc/16/96/57/584169657.db2.gz HZEWYNDYMJIDIF-PSPOIRCVSA-N 2 0 265.357 -0.295 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C[NH2+]CCO1 ZINC000877250112 584172652 /nfs/dbraw/zinc/17/26/52/584172652.db2.gz NJFWPZMJSWBRJS-YDHLFZDLSA-N 2 0 297.399 -0.456 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3[NH3+])CC[C@@H]21 ZINC000877251116 584172830 /nfs/dbraw/zinc/17/28/30/584172830.db2.gz YOSYHDGZOOWJQG-NOOOWODRSA-N 2 0 253.346 -0.345 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877250961 584172839 /nfs/dbraw/zinc/17/28/39/584172839.db2.gz UZRGNTNTUSPQKW-WOPDTQHZSA-N 2 0 254.378 -0.572 20 0 CBADRP COC[C@@]1(C(=O)N[C@H](C)C2CC[NH2+]CC2)C[NH2+]CCO1 ZINC000877251527 584172913 /nfs/dbraw/zinc/17/29/13/584172913.db2.gz APVDUVFEPQCVDM-BXUZGUMPSA-N 2 0 285.388 -0.504 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1CCO[C@@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000877254475 584173443 /nfs/dbraw/zinc/17/34/43/584173443.db2.gz UZMBPTUDWZNYEH-YUSALJHKSA-N 2 0 255.362 -0.146 20 0 CBADRP COCCC1(NC(=O)[C@H]2C[NH2+]CCO2)CC[NH2+]CC1 ZINC000877266203 584173808 /nfs/dbraw/zinc/17/38/08/584173808.db2.gz BUGHMFPDKKAJTE-LLVKDONJSA-N 2 0 271.361 -0.750 20 0 CBADRP COCCC1(NC(=O)[C@@H]2C[NH2+]CCO2)CC[NH2+]CC1 ZINC000877266204 584173959 /nfs/dbraw/zinc/17/39/59/584173959.db2.gz BUGHMFPDKKAJTE-NSHDSACASA-N 2 0 271.361 -0.750 20 0 CBADRP COCCC1(NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]CC1 ZINC000877267950 584174181 /nfs/dbraw/zinc/17/41/81/584174181.db2.gz KQOCZCDEHPHXIQ-PHIMTYICSA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877273255 584175211 /nfs/dbraw/zinc/17/52/11/584175211.db2.gz NKPGJZSBZZWAMO-NWDGAFQWSA-N 2 0 252.362 -0.756 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877279876 584175707 /nfs/dbraw/zinc/17/57/07/584175707.db2.gz AECSJHMYSZSELP-GVXVVHGQSA-N 2 0 282.388 -0.561 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877330485 584178680 /nfs/dbraw/zinc/17/86/80/584178680.db2.gz CIGZFICHWLZHDK-VXGBXAGGSA-N 2 0 285.388 -0.375 20 0 CBADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CC[NH2+]1 ZINC000877332369 584178880 /nfs/dbraw/zinc/17/88/80/584178880.db2.gz ZJKYJYLLFJYIMA-GHMZBOCLSA-N 2 0 253.346 -0.377 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877338545 584179100 /nfs/dbraw/zinc/17/91/00/584179100.db2.gz HDBSNSHWBKVOMR-MJBXVCDLSA-N 2 0 275.352 -0.067 20 0 CBADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C1(O)C[NH2+]C1 ZINC000877340599 584179237 /nfs/dbraw/zinc/17/92/37/584179237.db2.gz OOUBXZPTHMDGTC-GFCCVEGCSA-N 2 0 261.325 -0.849 20 0 CBADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C1(O)C[NH2+]C1 ZINC000877340600 584179271 /nfs/dbraw/zinc/17/92/71/584179271.db2.gz OOUBXZPTHMDGTC-LBPRGKRZSA-N 2 0 261.325 -0.849 20 0 CBADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1C[NH2+]CCO1 ZINC000877343636 584179422 /nfs/dbraw/zinc/17/94/22/584179422.db2.gz PEJAUNLPZUJIAO-UONOGXRCSA-N 2 0 275.352 -0.195 20 0 CBADRP COC[C@]1(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC[NH2+]C1 ZINC000877372942 584179950 /nfs/dbraw/zinc/17/99/50/584179950.db2.gz KVNCVEBZCOGMBW-YUTCNCBUSA-N 2 0 267.373 -0.320 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877393566 584180557 /nfs/dbraw/zinc/18/05/57/584180557.db2.gz ZXWRDIZYRIWVMD-HUBLWGQQSA-N 2 0 294.399 -0.355 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391998 584180567 /nfs/dbraw/zinc/18/05/67/584180567.db2.gz YKPXAAXXUCEPRT-MDZLAQPJSA-N 2 0 253.346 -0.234 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000877451533 584182359 /nfs/dbraw/zinc/18/23/59/584182359.db2.gz QJRXJUWDGZOOSH-SCRDCRAPSA-N 2 0 296.415 -0.219 20 0 CBADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000878159460 584194447 /nfs/dbraw/zinc/19/44/47/584194447.db2.gz XMDJZDLZRPWRGK-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878319501 584199460 /nfs/dbraw/zinc/19/94/60/584199460.db2.gz UPKWTIQSICANMA-JQWIXIFHSA-N 2 0 255.362 -0.348 20 0 CBADRP C[NH+]1CCC(NC(=O)C[NH2+][C@H](CCO)C2CC2)CC1 ZINC000878420545 584202267 /nfs/dbraw/zinc/20/22/67/584202267.db2.gz QNMRSWSBFFHUEJ-CYBMUJFWSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H]1COCCN1C1CC[NH+](CCc2nnnn2C)CC1 ZINC000878636027 584211187 /nfs/dbraw/zinc/21/11/87/584211187.db2.gz XIHSCZHFSXJBTG-GFCCVEGCSA-N 2 0 294.403 -0.062 20 0 CBADRP C[C@H]1COCCN1C1CC[NH+](CCc2nnnn2C)CC1 ZINC000878636028 584211264 /nfs/dbraw/zinc/21/12/64/584211264.db2.gz XIHSCZHFSXJBTG-LBPRGKRZSA-N 2 0 294.403 -0.062 20 0 CBADRP CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@H](C)CO ZINC000878639573 584211393 /nfs/dbraw/zinc/21/13/93/584211393.db2.gz NVQLUSIXXONDPD-LLVKDONJSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@@H](CO)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000879990632 584258022 /nfs/dbraw/zinc/25/80/22/584258022.db2.gz DXBJPOXBSSBTRQ-JHJVBQTASA-N 2 0 269.389 -0.101 20 0 CBADRP CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000882488584 584318924 /nfs/dbraw/zinc/31/89/24/584318924.db2.gz GQIQJOCMBWGRBV-QWHCGFSZSA-N 2 0 266.389 -0.413 20 0 CBADRP C[N@H+](CCNc1cc[nH+]c(CO)c1)CCOCCO ZINC000882951280 584334720 /nfs/dbraw/zinc/33/47/20/584334720.db2.gz XKBAAARDWLUSES-UHFFFAOYSA-N 2 0 269.345 -0.074 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883416813 584341263 /nfs/dbraw/zinc/34/12/63/584341263.db2.gz GDEXDOLSRBWNQB-SRVKXCTJSA-N 2 0 272.368 -0.527 20 0 CBADRP O=C([C@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000883416384 584341283 /nfs/dbraw/zinc/34/12/83/584341283.db2.gz TWTJUBOWAFWWFV-IHRRRGAJSA-N 2 0 298.406 -0.170 20 0 CBADRP CN(C)C(=O)[C@@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CC[NH2+]1 ZINC000883431633 584341907 /nfs/dbraw/zinc/34/19/07/584341907.db2.gz ZXDJZTSQSVWDOV-DCAQKATOSA-N 2 0 258.341 -0.952 20 0 CBADRP CC(=O)N1C[C@@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)C[C@@H]2C1 ZINC000883448421 584343003 /nfs/dbraw/zinc/34/30/03/584343003.db2.gz FAAZIZDYPBADNL-OKILXGFUSA-N 2 0 294.399 -0.782 20 0 CBADRP CC[N@@H+]1CC[C@H]1CNC(=O)NCCOCC[NH+](C)C ZINC000883639537 584345739 /nfs/dbraw/zinc/34/57/39/584345739.db2.gz RMCMPXGDPLCRNZ-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884017858 584355975 /nfs/dbraw/zinc/35/59/75/584355975.db2.gz HXBOPAPUAPPXCA-LBPRGKRZSA-N 2 0 289.383 -0.075 20 0 CBADRP COCC[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000884021597 584356104 /nfs/dbraw/zinc/35/61/04/584356104.db2.gz FTZBLVFMWNNUFI-LBPRGKRZSA-N 2 0 293.371 -0.207 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884022293 584356160 /nfs/dbraw/zinc/35/61/60/584356160.db2.gz DDJDQWFWMLQDDN-NSHDSACASA-N 2 0 277.372 -0.042 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884032528 584356589 /nfs/dbraw/zinc/35/65/89/584356589.db2.gz UXGXUWMCPWPKLB-NSHDSACASA-N 2 0 277.372 -0.090 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000884183737 584364841 /nfs/dbraw/zinc/36/48/41/584364841.db2.gz VVQSLMDPVRLGBT-SRVKXCTJSA-N 2 0 273.377 -0.424 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000884211866 584367365 /nfs/dbraw/zinc/36/73/65/584367365.db2.gz PZWPYDODYBGTLJ-AVGNSLFASA-N 2 0 285.388 -0.592 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884213781 584367587 /nfs/dbraw/zinc/36/75/87/584367587.db2.gz KYMQEHSBEPGVRM-VXGBXAGGSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CC1(C)C)N1CC[NH+](C)CC1 ZINC000884234954 584368943 /nfs/dbraw/zinc/36/89/43/584368943.db2.gz IVCZNRPKTRULKK-STQMWFEESA-N 2 0 282.432 -0.016 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000884238941 584369431 /nfs/dbraw/zinc/36/94/31/584369431.db2.gz KOUFIHNLUYUWCQ-SRVKXCTJSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(NCC1C[NH2+]C1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884241662 584369465 /nfs/dbraw/zinc/36/94/65/584369465.db2.gz UWRFJPFNOHKOME-UHFFFAOYSA-N 2 0 275.356 -0.560 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884275007 584371642 /nfs/dbraw/zinc/37/16/42/584371642.db2.gz ZZXYHMKMIFSUJF-SNVBAGLBSA-N 2 0 263.345 -0.432 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000884316176 584373709 /nfs/dbraw/zinc/37/37/09/584373709.db2.gz LOUMVFYLQIESON-TUAOUCFPSA-N 2 0 255.362 -0.097 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000884328614 584374578 /nfs/dbraw/zinc/37/45/78/584374578.db2.gz ULQBURJLSDKKHO-WOPDTQHZSA-N 2 0 255.362 -0.097 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000884360767 584376500 /nfs/dbraw/zinc/37/65/00/584376500.db2.gz GHWNVMDTRWTRAR-GHMZBOCLSA-N 2 0 255.362 -0.003 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884366130 584377045 /nfs/dbraw/zinc/37/70/45/584377045.db2.gz URMGWJJDVQTVNW-DTWKUNHWSA-N 2 0 251.334 -0.266 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000884383062 584377975 /nfs/dbraw/zinc/37/79/75/584377975.db2.gz ZEXWUIRHWUHBTE-LOWVWBTDSA-N 2 0 255.362 -0.062 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000884412645 584380115 /nfs/dbraw/zinc/38/01/15/584380115.db2.gz XHKZRUYGEWUADS-KGLIPLIRSA-N 2 0 298.431 -0.413 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000884435850 584381287 /nfs/dbraw/zinc/38/12/87/584381287.db2.gz MFYMOWIGKNWIGY-LBPRGKRZSA-N 2 0 285.388 -0.327 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000884528940 584386786 /nfs/dbraw/zinc/38/67/86/584386786.db2.gz BBPLSGMZUBMJQS-WDEREUQCSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000884576190 584388819 /nfs/dbraw/zinc/38/88/19/584388819.db2.gz BNJJEEWICBSHKQ-OLZOCXBDSA-N 2 0 296.415 -0.217 20 0 CBADRP CCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000884617148 584391122 /nfs/dbraw/zinc/39/11/22/584391122.db2.gz ISQKPBPKJZUDOG-DGCLKSJQSA-N 2 0 296.415 -0.204 20 0 CBADRP CCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1)[C@H]1CC[NH2+]C1 ZINC000884617150 584391141 /nfs/dbraw/zinc/39/11/41/584391141.db2.gz ISQKPBPKJZUDOG-YPMHNXCESA-N 2 0 296.415 -0.204 20 0 CBADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884627054 584391807 /nfs/dbraw/zinc/39/18/07/584391807.db2.gz CIUVPYBXEYSOBB-GVXVVHGQSA-N 2 0 292.383 -0.840 20 0 CBADRP CC(C)([NH3+])CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000884627329 584391813 /nfs/dbraw/zinc/39/18/13/584391813.db2.gz MCUZCJSNEZGZLC-LLVKDONJSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884650660 584392457 /nfs/dbraw/zinc/39/24/57/584392457.db2.gz QXPCJCBLLVLPQY-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884650411 584392548 /nfs/dbraw/zinc/39/25/48/584392548.db2.gz ISZAEPCMMNASAA-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884659282 584393226 /nfs/dbraw/zinc/39/32/26/584393226.db2.gz NICYBXRLVNHSGP-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000884669900 584393756 /nfs/dbraw/zinc/39/37/56/584393756.db2.gz JUDHHXIXIYWKMH-MROQNXINSA-N 2 0 294.399 -0.323 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000884670271 584394055 /nfs/dbraw/zinc/39/40/55/584394055.db2.gz UJIWPUCHGMWWNV-FRRDWIJNSA-N 2 0 294.399 -0.321 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NCC[NH3+])CCN1c1cc[nH+]cc1 ZINC000884673543 584394507 /nfs/dbraw/zinc/39/45/07/584394507.db2.gz ZYBPKVTYJWEEKE-NSHDSACASA-N 2 0 291.355 -0.806 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC000884673746 584394521 /nfs/dbraw/zinc/39/45/21/584394521.db2.gz FDOKXZAAQMHGIM-AGIUHOORSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884703663 584398617 /nfs/dbraw/zinc/39/86/17/584398617.db2.gz GYSFSDZILPRSNJ-IJLUTSLNSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884703664 584398658 /nfs/dbraw/zinc/39/86/58/584398658.db2.gz GYSFSDZILPRSNJ-UTUOFQBUSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884703665 584398665 /nfs/dbraw/zinc/39/86/65/584398665.db2.gz GYSFSDZILPRSNJ-WOPDTQHZSA-N 2 0 282.388 -0.608 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC[C@@H]21 ZINC000884706678 584399482 /nfs/dbraw/zinc/39/94/82/584399482.db2.gz KQMHIJNHBAGJEC-UPJWGTAASA-N 2 0 294.399 -0.608 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC[C@H]21 ZINC000884706677 584399633 /nfs/dbraw/zinc/39/96/33/584399633.db2.gz KQMHIJNHBAGJEC-JHJVBQTASA-N 2 0 294.399 -0.608 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC(C)(C)[NH3+])CC[C@@H]21 ZINC000884709026 584399754 /nfs/dbraw/zinc/39/97/54/584399754.db2.gz SGUZWBXOULDVRU-MNOVXSKESA-N 2 0 282.388 -0.608 20 0 CBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000884986045 584406633 /nfs/dbraw/zinc/40/66/33/584406633.db2.gz HDGVDSLSWIRZAG-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000884986483 584406656 /nfs/dbraw/zinc/40/66/56/584406656.db2.gz RAHDUOIQWZXDFD-UHFFFAOYSA-N 2 0 284.404 -0.217 20 0 CBADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])C2)C1 ZINC000887087940 584462752 /nfs/dbraw/zinc/46/27/52/584462752.db2.gz DEBVXGPATZHEMG-IUODEOHRSA-N 2 0 294.399 -0.510 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000887088192 584463008 /nfs/dbraw/zinc/46/30/08/584463008.db2.gz XEYKCSDLLRUXGR-OLZOCXBDSA-N 2 0 292.383 -0.591 20 0 CBADRP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000887923056 584477096 /nfs/dbraw/zinc/47/70/96/584477096.db2.gz LXAZXOOBFCIXST-DHMWGJHJSA-N 2 0 281.400 -0.148 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)C[C@]2(C)C1 ZINC000887930779 584477661 /nfs/dbraw/zinc/47/76/61/584477661.db2.gz WRSJIVNGNJKBNH-YCPHGPKFSA-N 2 0 292.427 -0.214 20 0 CBADRP C[C@H](C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)[NH+](C)C ZINC000889744156 584534697 /nfs/dbraw/zinc/53/46/97/584534697.db2.gz KPDBETSABZAPMX-AGIUHOORSA-N 2 0 269.389 -0.006 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)C1 ZINC000889754866 584535672 /nfs/dbraw/zinc/53/56/72/584535672.db2.gz GQKSZMVKNXMDJU-MJBXVCDLSA-N 2 0 281.400 -0.004 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000891492799 584582435 /nfs/dbraw/zinc/58/24/35/584582435.db2.gz JGALZLNACHFPME-GHMZBOCLSA-N 2 0 258.366 -0.304 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000891514718 584583306 /nfs/dbraw/zinc/58/33/06/584583306.db2.gz YEBXPKLSAJFCBO-VOAKCMCISA-N 2 0 282.388 -0.019 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891514439 584583321 /nfs/dbraw/zinc/58/33/21/584583321.db2.gz RPIGAMCKRASOHN-CRWXNKLISA-N 2 0 294.399 -0.005 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891540676 584584822 /nfs/dbraw/zinc/58/48/22/584584822.db2.gz XEDHJFLPROPKCT-MGPQQGTHSA-N 2 0 295.431 -0.232 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCC(C)(C)[NH3+] ZINC000891540795 584584963 /nfs/dbraw/zinc/58/49/63/584584963.db2.gz XQTHAMUPOGBXEG-LLVKDONJSA-N 2 0 271.409 -0.341 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)C1 ZINC000891576680 584586945 /nfs/dbraw/zinc/58/69/45/584586945.db2.gz MUYNJFDDTVASJL-SRVKXCTJSA-N 2 0 270.377 -0.162 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCCOCC[NH+](C)C ZINC000891840787 584593008 /nfs/dbraw/zinc/59/30/08/584593008.db2.gz DEJLKIRAJVRPBL-QWRGUYRKSA-N 2 0 258.366 -0.304 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891842205 584593062 /nfs/dbraw/zinc/59/30/62/584593062.db2.gz QOZLMPYBXGNINB-GXTWGEPZSA-N 2 0 284.404 -0.185 20 0 CBADRP C[N@@H+]1CCN(CCNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1(C)C ZINC000891880982 584593551 /nfs/dbraw/zinc/59/35/51/584593551.db2.gz RCIPSSGMQPUKFE-STQMWFEESA-N 2 0 295.431 -0.232 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC1CC[NH2+]CC1)C2 ZINC000891961896 584595472 /nfs/dbraw/zinc/59/54/72/584595472.db2.gz WOIGZRKKPUFFDJ-GXFFZTMASA-N 2 0 252.362 -0.011 20 0 CBADRP [NH3+]CC1(NC(=O)NCCN2CC[NH2+]CC2)CCCCC1 ZINC000891972314 584596361 /nfs/dbraw/zinc/59/63/61/584596361.db2.gz DHPUNMLHMKWNPI-UHFFFAOYSA-N 2 0 283.420 -0.148 20 0 CBADRP [NH3+]C[C@H]1CCCCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000891973258 584596582 /nfs/dbraw/zinc/59/65/82/584596582.db2.gz QVGMAEWVCGCSAG-GFCCVEGCSA-N 2 0 269.393 -0.586 20 0 CBADRP C[NH2+]CCNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000891992548 584597518 /nfs/dbraw/zinc/59/75/18/584597518.db2.gz KHJDQJBGNUQWPU-JTQLQIEISA-N 2 0 258.366 -0.650 20 0 CBADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N[C@H]1CC[NH2+]C1 ZINC000892000925 584598234 /nfs/dbraw/zinc/59/82/34/584598234.db2.gz DERAFYXCRHJLIQ-NWDGAFQWSA-N 2 0 282.388 -0.194 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000892003879 584598588 /nfs/dbraw/zinc/59/85/88/584598588.db2.gz ZCHJKPTYNDGWOX-QWRGUYRKSA-N 2 0 270.377 -0.507 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)C[C@H]1C[NH+](C)C ZINC000892002617 584598594 /nfs/dbraw/zinc/59/85/94/584598594.db2.gz QICOGXKWZLTOCK-MGPQQGTHSA-N 3 0 297.447 -0.271 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)N[C@@H]1CC[NH2+]C1 ZINC000892008725 584598759 /nfs/dbraw/zinc/59/87/59/584598759.db2.gz WDPPZKAJWMOSGK-RKDXNWHRSA-N 2 0 262.304 -0.108 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@@H]1CCC[NH2+]C1)C2 ZINC000892016843 584599099 /nfs/dbraw/zinc/59/90/99/584599099.db2.gz MHPDSFFCFZSKGS-DMDPSCGWSA-N 2 0 252.362 -0.011 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000892055948 584602374 /nfs/dbraw/zinc/60/23/74/584602374.db2.gz NTDDCFGVFQYXAS-DGCLKSJQSA-N 2 0 270.377 -0.194 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000892089649 584603924 /nfs/dbraw/zinc/60/39/24/584603924.db2.gz VHTISQPFEOVOOE-YNEHKIRRSA-N 3 0 285.436 -0.286 20 0 CBADRP C[C@@H](O)C(=O)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000892125339 584605443 /nfs/dbraw/zinc/60/54/43/584605443.db2.gz TXCYXGYWSZCYNE-GFCCVEGCSA-N 2 0 269.389 -0.147 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000892167586 584607013 /nfs/dbraw/zinc/60/70/13/584607013.db2.gz QKSDMBAKWQLLKD-MNOVXSKESA-N 2 0 256.350 -0.502 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC[C@H]1C[NH2+]CCCO1)C2 ZINC000892170321 584607136 /nfs/dbraw/zinc/60/71/36/584607136.db2.gz SSICJRDWAHFOOF-OUCADQQQSA-N 2 0 282.388 -0.384 20 0 CBADRP [NH3+]C[C@H]1CCCCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000892183001 584608002 /nfs/dbraw/zinc/60/80/02/584608002.db2.gz AODKUFPFNMYAJG-MNOVXSKESA-N 2 0 256.350 -0.502 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000892182056 584608105 /nfs/dbraw/zinc/60/81/05/584608105.db2.gz WUHBDHFUMGCIGY-AKJDGMEZSA-N 2 0 268.361 -0.360 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000892183112 584608139 /nfs/dbraw/zinc/60/81/39/584608139.db2.gz BURGXJUGFSHCDP-SDDRHHMPSA-N 2 0 268.361 -0.489 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000892183875 584608408 /nfs/dbraw/zinc/60/84/08/584608408.db2.gz MDBCLWUDWNDDRB-LOWVWBTDSA-N 2 0 268.361 -0.441 20 0 CBADRP CN1CCN(C(=O)N[C@H]2CCC[NH+](C)C2)CC[N@H+](C)CC1 ZINC000892237712 584610946 /nfs/dbraw/zinc/61/09/46/584610946.db2.gz OKQPXOKFOOIZMG-AWEZNQCLSA-N 2 0 297.447 -0.031 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCCOCCC[NH3+])C2 ZINC000892289796 584613233 /nfs/dbraw/zinc/61/32/33/584613233.db2.gz BTTZRGHELOTZCZ-WCQYABFASA-N 2 0 270.377 -0.397 20 0 CBADRP C[N@@H+]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1(C)C ZINC000892289837 584613285 /nfs/dbraw/zinc/61/32/85/584613285.db2.gz NYQYXMYCKIWYOC-NSHDSACASA-N 2 0 270.377 -0.290 20 0 CBADRP [NH3+]CCCOCCNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000892289278 584613383 /nfs/dbraw/zinc/61/33/83/584613383.db2.gz BXNXMRLEVJYZIP-SNVBAGLBSA-N 2 0 294.346 -0.104 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000892546748 584618062 /nfs/dbraw/zinc/61/80/62/584618062.db2.gz LKSHDZLUWLWHAE-TUAOUCFPSA-N 2 0 284.404 -0.132 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000892551452 584618402 /nfs/dbraw/zinc/61/84/02/584618402.db2.gz ILSVZSKOLLAGHL-XQQFMLRXSA-N 2 0 284.404 -0.130 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000892553605 584618647 /nfs/dbraw/zinc/61/86/47/584618647.db2.gz PWIRSMWGCQYAPT-LPWJVIDDSA-N 2 0 284.404 -0.180 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000892567083 584619203 /nfs/dbraw/zinc/61/92/03/584619203.db2.gz PXKLHVNJNALWMQ-ROTMJFINSA-N 2 0 282.388 -0.114 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000892587792 584620173 /nfs/dbraw/zinc/62/01/73/584620173.db2.gz RNUZQFMRUSMTSY-RNJOBUHISA-N 2 0 282.388 -0.114 20 0 CBADRP CN(CC[NH3+])C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892755397 584625145 /nfs/dbraw/zinc/62/51/45/584625145.db2.gz HDJZQSMVCHTVDM-NSHDSACASA-N 2 0 270.377 -0.255 20 0 CBADRP [NH3+]CCN(CCO)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892790120 584625941 /nfs/dbraw/zinc/62/59/41/584625941.db2.gz XPRKLQGPAWMCBU-CQSZACIVSA-N 2 0 292.383 -0.337 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCCC(C)(C)[NH3+])CCO1 ZINC000892851226 584628043 /nfs/dbraw/zinc/62/80/43/584628043.db2.gz RWRWTZHDBWOVMO-UWVGGRQHSA-N 2 0 258.366 -0.129 20 0 CBADRP CCC1([NH3+])CCN(C(=O)N(CC[NH3+])CCO)CC1 ZINC000892934070 584630018 /nfs/dbraw/zinc/63/00/18/584630018.db2.gz YYFUDHOQUMRCLU-UHFFFAOYSA-N 2 0 258.366 -0.437 20 0 CBADRP O=C(NCC[NH+]1CCC(O)CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000893020761 584632652 /nfs/dbraw/zinc/63/26/52/584632652.db2.gz PZZUGYLNFJBPQT-GFCCVEGCSA-N 2 0 296.415 -0.021 20 0 CBADRP C[N@H+](CCNc1cc[nH+]cc1CO)CCOCCO ZINC000895155824 584672032 /nfs/dbraw/zinc/67/20/32/584672032.db2.gz NWFUAGVBDLGNHB-UHFFFAOYSA-N 2 0 269.345 -0.652 20 0 CBADRP C[NH+](C)CCCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895469090 584679902 /nfs/dbraw/zinc/67/99/02/584679902.db2.gz COEVFIXXLYODHW-LBPRGKRZSA-N 2 0 255.362 -0.225 20 0 CBADRP C[NH+]1CCC(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000895521614 584681107 /nfs/dbraw/zinc/68/11/07/584681107.db2.gz KUOLYVVCZNPTCG-CYBMUJFWSA-N 2 0 267.373 -0.083 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000895819314 584687693 /nfs/dbraw/zinc/68/76/93/584687693.db2.gz WNNDVOYMQZYIRT-YPMHNXCESA-N 2 0 267.373 -0.225 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895883395 584689134 /nfs/dbraw/zinc/68/91/34/584689134.db2.gz DRSSEIYJNOUVPL-STQMWFEESA-N 2 0 267.373 -0.083 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CCN(C)CC[NH+](C)CC1 ZINC000896461668 584699503 /nfs/dbraw/zinc/69/95/03/584699503.db2.gz QCSBAFBNJMUDQY-CQSZACIVSA-N 2 0 297.447 -0.031 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896670805 584704455 /nfs/dbraw/zinc/70/44/55/584704455.db2.gz QDEIOKPYFYOBHN-CQSZACIVSA-N 2 0 299.415 -0.208 20 0 CBADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC000897053032 584707705 /nfs/dbraw/zinc/70/77/05/584707705.db2.gz QGTOCWIQRXOTLR-GFCCVEGCSA-N 2 0 275.418 -0.061 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000897146304 584709078 /nfs/dbraw/zinc/70/90/78/584709078.db2.gz QBGZATKDBVOCQE-VXGBXAGGSA-N 2 0 252.362 -0.803 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000897397991 584715094 /nfs/dbraw/zinc/71/50/94/584715094.db2.gz PJKGHBPOYISYCX-OAHLLOKOSA-N 2 0 297.399 -0.720 20 0 CBADRP C[NH+](CC(=O)NCC[N@H+](C)CCO)[C@@H]1CCSC1 ZINC000899736795 584777615 /nfs/dbraw/zinc/77/76/15/584777615.db2.gz VAZBUAFJYNKXDM-LLVKDONJSA-N 2 0 275.418 -0.536 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CCO)CC[N@@H+]1C ZINC000899741122 584779743 /nfs/dbraw/zinc/77/97/43/584779743.db2.gz SGRNUNVHCBPWEM-NWDGAFQWSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)[NH+](C)C ZINC000900164152 584793471 /nfs/dbraw/zinc/79/34/71/584793471.db2.gz WXASEZSGHKHCMS-WCQYABFASA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)[NH+](C)C ZINC000900164150 584793633 /nfs/dbraw/zinc/79/36/33/584793633.db2.gz WXASEZSGHKHCMS-DGCLKSJQSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H](CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)[NH+](C)C ZINC000900164154 584793741 /nfs/dbraw/zinc/79/37/41/584793741.db2.gz WXASEZSGHKHCMS-YPMHNXCESA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000900221402 584795846 /nfs/dbraw/zinc/79/58/46/584795846.db2.gz PGQBYZMWFLZWRY-HIFRSBDPSA-N 2 0 299.415 -0.330 20 0 CBADRP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000900305191 584799307 /nfs/dbraw/zinc/79/93/07/584799307.db2.gz GWDSJDCSQBXWQE-NTZNESFSSA-N 2 0 255.362 -0.491 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900383746 584801557 /nfs/dbraw/zinc/80/15/57/584801557.db2.gz XLDMWXXUQGAFQK-ZFWWWQNUSA-N 2 0 299.415 -0.332 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900562444 584812311 /nfs/dbraw/zinc/81/23/11/584812311.db2.gz XORWQJZTALOFFT-OCCSQVGLSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900612385 584816338 /nfs/dbraw/zinc/81/63/38/584816338.db2.gz BVUZFNHBNPWPDK-NFAWXSAZSA-N 2 0 298.431 -0.806 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)CC1 ZINC000900634116 584817770 /nfs/dbraw/zinc/81/77/70/584817770.db2.gz SCNAYAIYPDCAKL-TZMCWYRMSA-N 2 0 269.389 -0.004 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900686621 584821532 /nfs/dbraw/zinc/82/15/32/584821532.db2.gz NOUSHMPGQMUGLI-ZFWWWQNUSA-N 2 0 298.431 -0.805 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900694390 584822384 /nfs/dbraw/zinc/82/23/84/584822384.db2.gz HVXOBQDBGSBOIX-WZRBSPASSA-N 2 0 257.378 -0.102 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000900712094 584823969 /nfs/dbraw/zinc/82/39/69/584823969.db2.gz SBOOTDMSBIKASR-OUCADQQQSA-N 2 0 269.389 -0.148 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000901184258 584853927 /nfs/dbraw/zinc/85/39/27/584853927.db2.gz CLRRFUCZIOVZPC-ZIAGYGMSSA-N 2 0 287.404 -0.738 20 0 CBADRP O=c1ccn(CCC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c(=O)[nH]1 ZINC000902519732 584877769 /nfs/dbraw/zinc/87/77/69/584877769.db2.gz MGBXELVEKUSJLX-JZKMBYMZSA-N 2 0 290.367 -0.075 20 0 CBADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(CO)COCCN2C)[C@@H](C)C1 ZINC000903278776 584889788 /nfs/dbraw/zinc/88/97/88/584889788.db2.gz HEFSJUHFXJPXNG-KKUMJFAQSA-N 2 0 285.432 -0.001 20 0 CBADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(CO)COCCN2C)[C@@H](C)C1 ZINC000903278779 584889816 /nfs/dbraw/zinc/88/98/16/584889816.db2.gz HEFSJUHFXJPXNG-SOUVJXGZSA-N 2 0 285.432 -0.001 20 0 CBADRP CCNC(=O)CN1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903442073 584890554 /nfs/dbraw/zinc/89/05/54/584890554.db2.gz IIULMLYDKDEIMJ-OLZOCXBDSA-N 2 0 268.405 -0.133 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000903464396 584890872 /nfs/dbraw/zinc/89/08/72/584890872.db2.gz LVSVJFOBZKCMAZ-KGLIPLIRSA-N 2 0 295.431 -0.515 20 0 CBADRP O=C(CN[C@H]1CC[NH2+]C12CCCC2)N1CC[NH2+]CC1 ZINC000903487676 584891460 /nfs/dbraw/zinc/89/14/60/584891460.db2.gz JHZYMXFLFVBYGS-LBPRGKRZSA-N 2 0 266.389 -0.318 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)N(C)C)C2 ZINC000903492610 584891609 /nfs/dbraw/zinc/89/16/09/584891609.db2.gz HOAFZYWGVVQWMN-CWSCBRNRSA-N 2 0 269.345 -0.713 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H]1CCCN(C)C1=O)C2 ZINC000903492428 584891615 /nfs/dbraw/zinc/89/16/15/584891615.db2.gz CSYKIAGAONWEQY-OXIQGZBJSA-N 2 0 295.383 -0.181 20 0 CBADRP CC(C)[C@](C)(C[NH3+])NS(=O)(=O)N1CC[NH2+]CC1 ZINC000903492500 584891719 /nfs/dbraw/zinc/89/17/19/584891719.db2.gz GOKDDFJWFGWFAQ-JTQLQIEISA-N 2 0 264.395 -0.901 20 0 CBADRP CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)C1=O ZINC000903495308 584891959 /nfs/dbraw/zinc/89/19/59/584891959.db2.gz ZWVKGHHUYARFFP-YFCNSXCBSA-N 2 0 295.383 -0.181 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C[C@H]1CCC[NH2+]1)C2 ZINC000903494699 584891962 /nfs/dbraw/zinc/89/19/62/584891962.db2.gz LFEKHHUFGSNBED-SFTQSGBHSA-N 2 0 267.373 -0.049 20 0 CBADRP C[C@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C(=O)N(C)C ZINC000903496916 584892053 /nfs/dbraw/zinc/89/20/53/584892053.db2.gz KDQOCDNOWCALKR-GRYCIOLGSA-N 2 0 284.404 -0.504 20 0 CBADRP [NH3+][C@@H]1CN(CCC(=O)N2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000903514132 584892189 /nfs/dbraw/zinc/89/21/89/584892189.db2.gz LCEHCMOXDDYAKB-NXEZZACHSA-N 2 0 294.321 -0.370 20 0 CBADRP [NH3+]C[C@@]12CC[C@@H]1CCCN2S(=O)(=O)C1C[NH2+]C1 ZINC000903531879 584892756 /nfs/dbraw/zinc/89/27/56/584892756.db2.gz QQCXGHLGEHBISL-ONGXEEELSA-N 2 0 259.375 -0.509 20 0 CBADRP O=S(=O)(NC1(C2CC[NH2+]CC2)CC1)C1C[NH2+]C1 ZINC000903557680 584893106 /nfs/dbraw/zinc/89/31/06/584893106.db2.gz HBFGYWAGBYFMIP-UHFFFAOYSA-N 2 0 259.375 -0.590 20 0 CBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CCCCC[NH2+]1 ZINC000903565117 584893425 /nfs/dbraw/zinc/89/34/25/584893425.db2.gz RDZQPZXACOOZMU-RYUDHWBXSA-N 2 0 291.417 -0.574 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000903573790 584893668 /nfs/dbraw/zinc/89/36/68/584893668.db2.gz JYBZPJJKSBQMAH-NWDGAFQWSA-N 2 0 291.417 -0.622 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)[C@H]1CCC[NH2+]C1)C2 ZINC000903576489 584893690 /nfs/dbraw/zinc/89/36/90/584893690.db2.gz LMKLYYPHOWTMKH-USZNOCQGSA-N 2 0 273.402 -0.120 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C1 ZINC000903713615 584895451 /nfs/dbraw/zinc/89/54/51/584895451.db2.gz XQBZHSSLFPQYMJ-YIYPIFLZSA-N 2 0 297.399 -0.423 20 0 CBADRP CC1(C)C(=O)NCCN1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903729063 584896140 /nfs/dbraw/zinc/89/61/40/584896140.db2.gz JJVIOGUQIITBLN-SMDDNHRTSA-N 2 0 267.373 -0.035 20 0 CBADRP CC1(C)C(=O)NCCN1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903729058 584896260 /nfs/dbraw/zinc/89/62/60/584896260.db2.gz JJVIOGUQIITBLN-BXUZGUMPSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]C[C@H]1CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903744520 584896758 /nfs/dbraw/zinc/89/67/58/584896758.db2.gz UIPJIEZBYSCDEI-STQMWFEESA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903746309 584896985 /nfs/dbraw/zinc/89/69/85/584896985.db2.gz CCYPVESSBODTDG-FRRDWIJNSA-N 2 0 296.415 -0.265 20 0 CBADRP CN(C)C(=O)NCC[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903756051 584897628 /nfs/dbraw/zinc/89/76/28/584897628.db2.gz ONZTXJRYPPOGSI-JSGCOSHPSA-N 2 0 284.404 -0.042 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903768044 584898081 /nfs/dbraw/zinc/89/80/81/584898081.db2.gz PWBUHZQDMXIZJI-RYUDHWBXSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@]1(C(N)=O)CC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903765481 584898085 /nfs/dbraw/zinc/89/80/85/584898085.db2.gz IFPDIXXKTQIPCX-XBFCOCLRSA-N 2 0 267.373 -0.048 20 0 CBADRP CN1C(=O)[C@H]2C[N@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C[C@H]2C1=O ZINC000903777906 584899299 /nfs/dbraw/zinc/89/92/99/584899299.db2.gz HFTDTFCWTGUBDJ-MCYUEQNJSA-N 2 0 293.367 -0.698 20 0 CBADRP NS(=O)(=O)C[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903788184 584899763 /nfs/dbraw/zinc/89/97/63/584899763.db2.gz DSRZAIKSGUIJPZ-VXGBXAGGSA-N 2 0 275.418 -0.014 20 0 CBADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)C2)C1 ZINC000903790045 584899949 /nfs/dbraw/zinc/89/99/49/584899949.db2.gz PNYYOFWESWIOMF-SWLSCSKDSA-N 2 0 294.399 -0.510 20 0 CBADRP [NH3+]CCOCC[NH+]1CCC(CN2CCNC2=O)CC1 ZINC000903823584 584900845 /nfs/dbraw/zinc/90/08/45/584900845.db2.gz IABYHQAYNQQQIK-UHFFFAOYSA-N 2 0 270.377 -0.301 20 0 CBADRP O=S1(=O)C[C@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)C[C@H]2C1 ZINC000903826890 584900916 /nfs/dbraw/zinc/90/09/16/584900916.db2.gz MRFNBVSZEOBQEO-UTUOFQBUSA-N 2 0 258.387 -0.038 20 0 CBADRP C[C@@](Cn1cccn1)([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)C(N)=O ZINC000903829610 584901251 /nfs/dbraw/zinc/90/12/51/584901251.db2.gz IHQSTMAZMLENSB-YPMHNXCESA-N 2 0 293.371 -0.762 20 0 CBADRP C[C@H]1CN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000903873497 584902873 /nfs/dbraw/zinc/90/28/73/584902873.db2.gz IXPDEMDALKFWGI-NWDGAFQWSA-N 2 0 264.377 -0.004 20 0 CBADRP C[C@H](C[NH3+])N(C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903874305 584902920 /nfs/dbraw/zinc/90/29/20/584902920.db2.gz XRLLREFDAXBJIA-MNOVXSKESA-N 2 0 252.366 -0.018 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000903880263 584903441 /nfs/dbraw/zinc/90/34/41/584903441.db2.gz FXKXJEGBXHEHRS-JYJNAYRXSA-N 2 0 293.411 -0.163 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903881798 584903696 /nfs/dbraw/zinc/90/36/96/584903696.db2.gz IVYRZDTWYMTKPQ-IHRRRGAJSA-N 2 0 269.389 -0.325 20 0 CBADRP Cc1c(C[C@H](C[NH3+])C[N@H+](CCO)CCCO)cnn1C ZINC000903891774 584904068 /nfs/dbraw/zinc/90/40/68/584904068.db2.gz CRZGJVPNGCXXHZ-CYBMUJFWSA-N 2 0 284.404 -0.477 20 0 CBADRP CN1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000903918225 584904534 /nfs/dbraw/zinc/90/45/34/584904534.db2.gz VLALRROOHOMQON-CHWSQXEVSA-N 2 0 293.419 -0.723 20 0 CBADRP C[C@H](C[NH3+])CNCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903919653 584904789 /nfs/dbraw/zinc/90/47/89/584904789.db2.gz PEVVCYSQXJDFKV-GHMZBOCLSA-N 2 0 252.366 -0.113 20 0 CBADRP C[C@@H](C[NH3+])CNCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903919656 584904814 /nfs/dbraw/zinc/90/48/14/584904814.db2.gz PEVVCYSQXJDFKV-WDEREUQCSA-N 2 0 252.366 -0.113 20 0 CBADRP CCN(CC[NH3+])Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903934182 584904958 /nfs/dbraw/zinc/90/49/58/584904958.db2.gz CYEPDJQSWOVMNQ-NSHDSACASA-N 2 0 252.366 -0.017 20 0 CBADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000903969586 584905269 /nfs/dbraw/zinc/90/52/69/584905269.db2.gz HIDVPIIJHUESAJ-AGIUHOORSA-N 2 0 289.445 -0.117 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC13CC(C1)C[NH2+]3)C2 ZINC000903976814 584905510 /nfs/dbraw/zinc/90/55/10/584905510.db2.gz BSTVPEIAXWMHEQ-MNURPVSASA-N 2 0 279.384 -0.049 20 0 CBADRP C[C@@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1CC[NH3+] ZINC000903977764 584905555 /nfs/dbraw/zinc/90/55/55/584905555.db2.gz YXSXPMWCVIFVMX-GHMZBOCLSA-N 2 0 280.372 -0.499 20 0 CBADRP CC(C)[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958593566 613887851 /nfs/dbraw/zinc/88/78/51/613887851.db2.gz AIDWFHDRESFDPV-STQMWFEESA-N 2 0 281.400 -0.101 20 0 CBADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC000969845191 614188964 /nfs/dbraw/zinc/18/89/64/614188964.db2.gz VUEPKXXTDFNNLN-IJLUTSLNSA-N 2 0 284.404 -0.363 20 0 CBADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1)[NH+](C)C ZINC000969845769 614189012 /nfs/dbraw/zinc/18/90/12/614189012.db2.gz JCGOVZLUFYSQCT-FRRDWIJNSA-N 2 0 296.415 -0.348 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1)C(N)=O ZINC000970333918 614432231 /nfs/dbraw/zinc/43/22/31/614432231.db2.gz DTFDLKFCIZMHMN-QWHCGFSZSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1)C(N)=O ZINC000970333917 614432535 /nfs/dbraw/zinc/43/25/35/614432535.db2.gz DTFDLKFCIZMHMN-CHWSQXEVSA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958593878 614785647 /nfs/dbraw/zinc/78/56/47/614785647.db2.gz CGESKZWMTZWKPY-QWHCGFSZSA-N 2 0 281.400 -0.099 20 0 CBADRP CC[NH+]1CC(N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000941669030 615086659 /nfs/dbraw/zinc/08/66/59/615086659.db2.gz VMFXHUIFMDLSBV-UHFFFAOYSA-N 2 0 280.416 -0.070 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)[NH+](C)C ZINC000969985865 615374559 /nfs/dbraw/zinc/37/45/59/615374559.db2.gz NCVNEOCIKBBMTI-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC000969985647 615374735 /nfs/dbraw/zinc/37/47/35/615374735.db2.gz LANRRYMPFWGQQT-AXFHLTTASA-N 2 0 270.377 -0.609 20 0 CBADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC000969595033 615538330 /nfs/dbraw/zinc/53/83/30/615538330.db2.gz LIGJZSKVLHHIQZ-IJLUTSLNSA-N 2 0 282.388 -0.465 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1)[NH+](C)C ZINC000969074852 615603245 /nfs/dbraw/zinc/60/32/45/615603245.db2.gz WQWICSMGCJRAEF-GRYCIOLGSA-N 2 0 282.388 -0.594 20 0 CBADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC000968904371 615821644 /nfs/dbraw/zinc/82/16/44/615821644.db2.gz QXWZDSXWUSRETF-NEPJUHHUSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC[C@@H]([NH2+]CCO)C2)CCC1 ZINC000968903998 615840737 /nfs/dbraw/zinc/84/07/37/615840737.db2.gz FMQFIWDVUYTPJC-LLVKDONJSA-N 2 0 255.362 -0.347 20 0 CBADRP C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971540082 616110591 /nfs/dbraw/zinc/11/05/91/616110591.db2.gz CEBNOKZVSVJSHI-ZIAGYGMSSA-N 2 0 281.400 -0.147 20 0 CBADRP C[NH+]1CCC(CC(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)CC1 ZINC000961959748 616168515 /nfs/dbraw/zinc/16/85/15/616168515.db2.gz WRKSNLSNXWSJAS-NHAGDIPZSA-N 2 0 281.400 -0.243 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCC[NH+](CCO)C2 ZINC000981665673 616191657 /nfs/dbraw/zinc/19/16/57/616191657.db2.gz DQMUBSRGBVKYPV-CYBMUJFWSA-N 2 0 281.400 -0.003 20 0 CBADRP Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000967923581 616192042 /nfs/dbraw/zinc/19/20/42/616192042.db2.gz ADHWYCYTDUBMOM-DGCLKSJQSA-N 2 0 292.387 -0.400 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC000967926519 616192046 /nfs/dbraw/zinc/19/20/46/616192046.db2.gz XMOJCXGVLXEDRB-CHWSQXEVSA-N 2 0 294.399 -0.497 20 0 CBADRP Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000967923582 616209991 /nfs/dbraw/zinc/20/99/91/616209991.db2.gz ADHWYCYTDUBMOM-YPMHNXCESA-N 2 0 292.387 -0.400 20 0 CBADRP C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000971201077 616210118 /nfs/dbraw/zinc/21/01/18/616210118.db2.gz LJKQIVIVBBBZCX-NEPJUHHUSA-N 2 0 255.362 -0.394 20 0 CBADRP CN1CCO[C@H](C(=O)N[C@H]2C[N@H+](CCO)CC2(C)C)C1 ZINC000972991277 616260173 /nfs/dbraw/zinc/26/01/73/616260173.db2.gz HQOQZLNRANXLHX-RYUDHWBXSA-N 2 0 285.388 -0.864 20 0 CBADRP C[N@H+](CCO)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980390206 616265353 /nfs/dbraw/zinc/26/53/53/616265353.db2.gz GAZIKMIFXNZVQT-NEPJUHHUSA-N 2 0 255.362 -0.537 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000970478632 616268920 /nfs/dbraw/zinc/26/89/20/616268920.db2.gz MPJISPSOPRDEFT-WDEREUQCSA-N 2 0 268.361 -0.996 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC(N)=O)CC2(C)C)C1 ZINC000977599330 616376279 /nfs/dbraw/zinc/37/62/79/616376279.db2.gz LWPMEGJCCFOPAX-WDEREUQCSA-N 2 0 282.388 -0.750 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000962592641 616380107 /nfs/dbraw/zinc/38/01/07/616380107.db2.gz SSIXVSGSRZVEGF-WUHRBBMRSA-N 2 0 267.373 -0.633 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000970478629 616389189 /nfs/dbraw/zinc/38/91/89/616389189.db2.gz MPJISPSOPRDEFT-GHMZBOCLSA-N 2 0 268.361 -0.996 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944919732 616622662 /nfs/dbraw/zinc/62/26/62/616622662.db2.gz QGUDLHKOOQFVMJ-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000702432735 656181658 /nfs/dbraw/zinc/18/16/58/656181658.db2.gz XGFCJHTUNOOBBH-LBPRGKRZSA-N 2 0 256.394 -0.182 20 0 CBADRP C[N@@H+]1CCN(S(=O)(=O)C2C[NH2+]C2)CCC1(C)C ZINC000712633012 656211381 /nfs/dbraw/zinc/21/13/81/656211381.db2.gz PZHHWQPWBZPFJW-UHFFFAOYSA-N 2 0 261.391 -0.296 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000911875767 657151368 /nfs/dbraw/zinc/15/13/68/657151368.db2.gz SSENXUZGPYNHIB-VHSXEESVSA-N 2 0 260.407 -0.832 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)[C@@H]1CCC[NH2+]C1)C2 ZINC000923664014 658388060 /nfs/dbraw/zinc/38/80/60/658388060.db2.gz NSZPMIWBIFSITC-UPJWGTAASA-N 2 0 287.429 0.000 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(S(=O)(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000923665122 658388456 /nfs/dbraw/zinc/38/84/56/658388456.db2.gz BUOKGLLELMQOSY-RYUDHWBXSA-N 2 0 288.417 -0.838 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923674447 658393851 /nfs/dbraw/zinc/39/38/51/658393851.db2.gz POJODDNNMQORQD-LBPRGKRZSA-N 2 0 273.402 -0.246 20 0 CBADRP CCN([C@H]1CC[NH2+]C1)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923673766 658393966 /nfs/dbraw/zinc/39/39/66/658393966.db2.gz LDOMYLADOAVAJI-QWRGUYRKSA-N 2 0 261.391 -0.248 20 0 CBADRP O=S(=O)(NC[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000923673739 658394274 /nfs/dbraw/zinc/39/42/74/658394274.db2.gz KBPLJTSWNNCJHJ-UWVGGRQHSA-N 2 0 297.371 -0.097 20 0 CBADRP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CCOCCO ZINC000922111592 657994207 /nfs/dbraw/zinc/99/42/07/657994207.db2.gz YZCQBBBRTFCFFG-ZDUSSCGKSA-N 2 0 287.404 -0.615 20 0 CBADRP C[C@H]1[C@@H](NC(=O)NCCOCC[NH+](C)C)CC[N@@H+]1C ZINC000922145263 658008151 /nfs/dbraw/zinc/00/81/51/658008151.db2.gz SFSKYMPLVUNHMS-RYUDHWBXSA-N 2 0 272.393 -0.044 20 0 CBADRP C[NH+](C)CCOCCNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000922145233 658009043 /nfs/dbraw/zinc/00/90/43/658009043.db2.gz RCLPXAQUCOCZJT-NSHDSACASA-N 2 0 258.366 -0.432 20 0 CBADRP Cc1ccccc1C[C@H](C)NC(=O)CNC(C[NH3+])C[NH3+] ZINC000923351125 658224167 /nfs/dbraw/zinc/22/41/67/658224167.db2.gz GUYUJBXCFPMFIO-LBPRGKRZSA-N 2 0 278.400 -0.082 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923350962 658225370 /nfs/dbraw/zinc/22/53/70/658225370.db2.gz JNNQATZJOFOOOF-NWDGAFQWSA-N 2 0 283.372 -0.798 20 0 CBADRP C[C@@H](NC(C[NH3+])C[NH3+])C(=O)NCCc1ccccc1 ZINC000923352638 658225951 /nfs/dbraw/zinc/22/59/51/658225951.db2.gz PQEQEFCTSHCLOY-LLVKDONJSA-N 2 0 264.373 -0.391 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@@H](O)C[N@H+](C)CCOC ZINC000923352888 658225968 /nfs/dbraw/zinc/22/59/68/658225968.db2.gz TTXQLWOVWSFLDT-AVGNSLFASA-N 2 0 277.384 -0.443 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@@H](n3ccnn3)C2)C1 ZINC000923381161 658244570 /nfs/dbraw/zinc/24/45/70/658244570.db2.gz FATRLNYKMMIVPI-USZNOCQGSA-N 2 0 251.334 -0.234 20 0 CBADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@@H]1CNCCO1)CC2 ZINC000923450988 658286653 /nfs/dbraw/zinc/28/66/53/658286653.db2.gz IZTSONGPWNOJFQ-STQMWFEESA-N 2 0 269.389 -0.195 20 0 CBADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923453294 658287659 /nfs/dbraw/zinc/28/76/59/658287659.db2.gz WWZYUXGSZJDCRV-STQMWFEESA-N 3 0 271.405 -0.213 20 0 CBADRP [NH3+]CC[C@H]1CC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000923485663 658304284 /nfs/dbraw/zinc/30/42/84/658304284.db2.gz KYFDAFDWIIMYIM-LBPRGKRZSA-N 2 0 255.362 -0.094 20 0 CBADRP C[C@@H]1C[N@H+](CCS(=O)(=O)N(C)C)CC[C@@H]1C[NH3+] ZINC000923488403 658305432 /nfs/dbraw/zinc/30/54/32/658305432.db2.gz FLMRTBXMZROAJU-GHMZBOCLSA-N 2 0 263.407 -0.206 20 0 CBADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923486319 658305799 /nfs/dbraw/zinc/30/57/99/658305799.db2.gz PJIGHCYWJGTTOV-FRRDWIJNSA-N 2 0 296.415 -0.231 20 0 CBADRP NC(=O)C12CCC(CC1)[N@@H+]2C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923529303 658314852 /nfs/dbraw/zinc/31/48/52/658314852.db2.gz CMDNKUUILUVNGE-IQLKVPPVSA-N 2 0 265.357 -0.153 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923564064 658329258 /nfs/dbraw/zinc/32/92/58/658329258.db2.gz RVBQFDIKOJMPLF-NSHDSACASA-N 2 0 276.406 -0.932 20 0 CBADRP O=S(=O)(NC[C@@H]1CCCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000923564960 658329687 /nfs/dbraw/zinc/32/96/87/658329687.db2.gz DALIXNPGCXFWTE-QWRGUYRKSA-N 2 0 261.391 -0.200 20 0 CBADRP O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000923565363 658330232 /nfs/dbraw/zinc/33/02/32/658330232.db2.gz AKMGWMMBPFPJBZ-AYLPWXGPSA-N 2 0 273.402 -0.059 20 0 CBADRP CC(C)[NH2+]CCCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923570897 658333556 /nfs/dbraw/zinc/33/35/56/658333556.db2.gz OEVJAFNDFWKDAC-UHFFFAOYSA-N 2 0 264.395 -0.886 20 0 CBADRP C[NH2+]CC1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923569941 658334698 /nfs/dbraw/zinc/33/46/98/658334698.db2.gz NYZRSOTWEDQVMA-LBPRGKRZSA-N 2 0 275.418 0.000 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)N3CC[NH2+]CC3)C[C@H]21 ZINC000923637512 658368067 /nfs/dbraw/zinc/36/80/67/658368067.db2.gz QJPZXJCYSLAICW-QJPTWQEYSA-N 2 0 288.417 -0.804 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)C3C[NH2+]C3)C[C@@H]21 ZINC000923637825 658368370 /nfs/dbraw/zinc/36/83/70/658368370.db2.gz UQDPYVNHHCIWEQ-INTQDDNPSA-N 2 0 259.375 -0.653 20 0 CBADRP CN([C@H](C[NH3+])C1CC1)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923640612 658370315 /nfs/dbraw/zinc/37/03/15/658370315.db2.gz LSBHAEFIFXFIOC-WDEREUQCSA-N 2 0 261.391 -0.263 20 0 CBADRP CC1(NS(=O)(=O)[C@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000923641257 658371665 /nfs/dbraw/zinc/37/16/65/658371665.db2.gz LQOTUGDSKJKBNI-JTQLQIEISA-N 2 0 261.391 -0.200 20 0 CBADRP O=S(=O)(N[C@@H]1CC[NH2+]C2(CCC2)C1)N1CC[NH2+]CC1 ZINC000923656043 658382011 /nfs/dbraw/zinc/38/20/11/658382011.db2.gz PKAURINLBUMOBA-LLVKDONJSA-N 2 0 288.417 -0.599 20 0 CBADRP [NH3+]CC1(NS(=O)(=O)[C@@H]2CCC[NH2+]C2)CCOCC1 ZINC000923663278 658387572 /nfs/dbraw/zinc/38/75/72/658387572.db2.gz PDNAUROJQOGZBT-SNVBAGLBSA-N 2 0 277.390 -0.834 20 0 CBADRP C[NH+](C)C[C@H]1NC(=O)N(CC[N@H+](C)C2CC2)C1=O ZINC000924523650 658609815 /nfs/dbraw/zinc/60/98/15/658609815.db2.gz DYHRXUZBXCHUQM-SNVBAGLBSA-N 2 0 254.334 -0.437 20 0 CBADRP C[NH+](C)C[C@@H]1NC(=O)N(CC2([NH+](C)C)CCC2)C1=O ZINC000924668516 658630608 /nfs/dbraw/zinc/63/06/08/658630608.db2.gz QXTCOCHZSWQFDJ-JTQLQIEISA-N 2 0 268.361 -0.047 20 0 CBADRP CC[N@@H+]1CC[C@@H](N2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000925320968 658825436 /nfs/dbraw/zinc/82/54/36/658825436.db2.gz IGDGVEIGBIUPAM-NXEZZACHSA-N 2 0 254.334 -0.437 20 0 CBADRP C[C@@H]1[C@H](NC(=O)NCC2(O)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000925326625 658827008 /nfs/dbraw/zinc/82/70/08/658827008.db2.gz YWXHLEUVENVWNV-VXGBXAGGSA-N 2 0 284.404 -0.165 20 0 CBADRP OCCC[N@@H+]1CCC[C@@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925678527 658864341 /nfs/dbraw/zinc/86/43/41/658864341.db2.gz FPCMPWKKSDXQMB-CHWSQXEVSA-N 2 0 257.378 -0.589 20 0 CBADRP OCCC[N@@H+]1CCC[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925678128 658864471 /nfs/dbraw/zinc/86/44/71/658864471.db2.gz CNERUWYWVVMZOE-OLZOCXBDSA-N 2 0 257.378 -0.589 20 0 CBADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000925789567 658871937 /nfs/dbraw/zinc/87/19/37/658871937.db2.gz WDXCAKACTOTVRD-FRRDWIJNSA-N 2 0 289.445 -0.259 20 0 CBADRP [NH3+]C1CCN(CC[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)CC1 ZINC000925817661 658873796 /nfs/dbraw/zinc/87/37/96/658873796.db2.gz UXJMLSCAFKQTMR-LSDHHAIUSA-N 2 0 282.432 -0.234 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440661 659464671 /nfs/dbraw/zinc/46/46/71/659464671.db2.gz ZZLZXOKMXOHTJD-QWHCGFSZSA-N 2 0 297.399 -0.109 20 0 CBADRP C[NH+](C)CC1(O)CC[NH+](CCc2c[nH]nn2)CC1 ZINC000931480837 659472410 /nfs/dbraw/zinc/47/24/10/659472410.db2.gz KTQGQPJNHVOCIW-UHFFFAOYSA-N 2 0 253.350 -0.264 20 0 CBADRP C[NH+](C)CC1(O)CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000931485091 659472630 /nfs/dbraw/zinc/47/26/30/659472630.db2.gz YMJFQXHEXOJESA-CYBMUJFWSA-N 2 0 282.388 -0.368 20 0 CBADRP C[NH+](C)CC1(O)CC[NH+](C[C@H](O)CC(C)(C)O)CC1 ZINC000931479831 659472734 /nfs/dbraw/zinc/47/27/34/659472734.db2.gz DEQBRROPGBJMSO-GFCCVEGCSA-N 2 0 274.405 -0.103 20 0 CBADRP CC(C)[NH+](CCNS(=O)(=O)N1CC[NH2+]CC1)C(C)C ZINC000020247434 655996176 /nfs/dbraw/zinc/99/61/76/655996176.db2.gz NFWGBBIISHYJAP-UHFFFAOYSA-N 2 0 292.449 -0.155 20 0 CBADRP C[N@H+](CCCNC(=O)CNC(=O)C[NH3+])C1CCCCC1 ZINC000037901371 656004688 /nfs/dbraw/zinc/00/46/88/656004688.db2.gz MSBFVWZJKGCKEO-UHFFFAOYSA-N 2 0 284.404 -0.168 20 0 CBADRP CC[NH+]1CCC(N(C)S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000040862064 656005825 /nfs/dbraw/zinc/00/58/25/656005825.db2.gz OERHATYEKDGTRB-UHFFFAOYSA-N 2 0 290.433 -0.448 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[NH2+]CCO1)[NH+]1CCCCC1 ZINC000043799589 656009281 /nfs/dbraw/zinc/00/92/81/656009281.db2.gz NREKQHYEWACOTK-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH+]1CCC(NS(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000049643162 656020158 /nfs/dbraw/zinc/02/01/58/656020158.db2.gz AGANPWXSXMJUNT-UHFFFAOYSA-N 2 0 275.418 0.000 20 0 CBADRP CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000053245838 656025608 /nfs/dbraw/zinc/02/56/08/656025608.db2.gz YEXPJTSDPDXBOG-LLVKDONJSA-N 2 0 276.406 -0.838 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)[C@H]1CCCCNC1=O ZINC000071150176 656041349 /nfs/dbraw/zinc/04/13/49/656041349.db2.gz WJNYOKYSCBPIDI-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP O[C@H](CNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C[NH+]1CCCC1 ZINC000091669930 656058795 /nfs/dbraw/zinc/05/87/95/656058795.db2.gz HWDXRDDAWKBHDY-KFWWJZLASA-N 2 0 283.416 -0.104 20 0 CBADRP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](C[NH3+])C2)C1 ZINC000093698372 656060962 /nfs/dbraw/zinc/06/09/62/656060962.db2.gz PLFPGIHALZBVOQ-NEPJUHHUSA-N 2 0 275.418 -0.061 20 0 CBADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000125818992 656067577 /nfs/dbraw/zinc/06/75/77/656067577.db2.gz RZDRRODGWYYKOG-NWDGAFQWSA-N 2 0 254.378 -0.475 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[C@H](C[NH3+])C2)CC1=O ZINC000178555528 656088921 /nfs/dbraw/zinc/08/89/21/656088921.db2.gz GYFRXJZFLBUDGZ-NEPJUHHUSA-N 2 0 282.388 -0.796 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[C@@H](C[NH3+])C2)CC1=O ZINC000178555547 656089159 /nfs/dbraw/zinc/08/91/59/656089159.db2.gz GYFRXJZFLBUDGZ-RYUDHWBXSA-N 2 0 282.388 -0.796 20 0 CBADRP C[C@@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@@H](C)[NH2+]1 ZINC000188185607 656095892 /nfs/dbraw/zinc/09/58/92/656095892.db2.gz ROFKMEVEYDOYNA-RKDXNWHRSA-N 2 0 263.345 -0.122 20 0 CBADRP CCOC[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000225865971 656106629 /nfs/dbraw/zinc/10/66/29/656106629.db2.gz GWFXGHIAGSSXCS-VXGBXAGGSA-N 2 0 273.377 -0.829 20 0 CBADRP C[NH+](C)CCCNC(=O)[C@@H]1C[C@@H]1C(=O)NCCC[NH+](C)C ZINC000243243435 656117631 /nfs/dbraw/zinc/11/76/31/656117631.db2.gz KNXVREFPUDGWOM-BETUJISGSA-N 2 0 298.431 -0.242 20 0 CBADRP C[N@@H+]1CCC[C@@H](CNS(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000250592157 656122002 /nfs/dbraw/zinc/12/20/02/656122002.db2.gz HRGRKXWFLSXUIL-RYUDHWBXSA-N 2 0 275.418 0.000 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252600328 656123247 /nfs/dbraw/zinc/12/32/47/656123247.db2.gz LMIDITYHLLQYSN-CYDGBPFRSA-N 2 0 267.373 -0.036 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000261908444 656126987 /nfs/dbraw/zinc/12/69/87/656126987.db2.gz WCYVKUJOCPAMOD-GFCCVEGCSA-N 2 0 284.404 -0.264 20 0 CBADRP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CCn1cccn1 ZINC000262122540 656128666 /nfs/dbraw/zinc/12/86/66/656128666.db2.gz NKNYVOVONBCFHH-UHFFFAOYSA-N 2 0 265.361 -0.363 20 0 CBADRP O[C@@H](CN1C[C@@H]2CC[NH2+]C[C@@H]2C1)C[NH+]1CCCC1 ZINC000310860505 656144010 /nfs/dbraw/zinc/14/40/10/656144010.db2.gz KJTVSNKVKQIGSC-BFHYXJOUSA-N 2 0 253.390 -0.016 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN(C)CC(C)(C)C[NH3+] ZINC000310979810 656144864 /nfs/dbraw/zinc/14/48/64/656144864.db2.gz DUSKJOFPTBCMCW-GFCCVEGCSA-N 2 0 261.410 -0.158 20 0 CBADRP COCCN(C)C[C@H](O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000311667229 656146328 /nfs/dbraw/zinc/14/63/28/656146328.db2.gz GQJPJQVPPRMRQX-OCCSQVGLSA-N 2 0 273.421 -0.015 20 0 CBADRP C[N@H+](C[C@H](O)CN1CCOCC1)CC1CC[NH+](C)CC1 ZINC000312149964 656147160 /nfs/dbraw/zinc/14/71/60/656147160.db2.gz MSUXOGKSXRZTID-HNNXBMFYSA-N 2 0 285.432 -0.047 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC000353428800 656161932 /nfs/dbraw/zinc/16/19/32/656161932.db2.gz FFDOASNGSLNSGX-KGLIPLIRSA-N 2 0 299.415 -0.068 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](N)C[NH+](C)C ZINC000702393009 656180575 /nfs/dbraw/zinc/18/05/75/656180575.db2.gz WRHNNVVOXYKHLO-AGIUHOORSA-N 2 0 268.405 -0.040 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(S(=O)(=O)N3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702458658 656181231 /nfs/dbraw/zinc/18/12/31/656181231.db2.gz SDNFEYBKASXPEU-NEPJUHHUSA-N 2 0 288.417 -0.980 20 0 CBADRP CS(=O)(=O)N1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000703151854 656183113 /nfs/dbraw/zinc/18/31/13/656183113.db2.gz IDSOTOOJNFIOEI-PHIMTYICSA-N 2 0 261.391 -0.309 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(CCN1CCCS1(=O)=O)C2 ZINC000703549377 656183331 /nfs/dbraw/zinc/18/33/31/656183331.db2.gz YBNMQQHQCPIHCC-NWDGAFQWSA-N 2 0 273.402 -0.437 20 0 CBADRP [NH3+]C1CC(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000703488409 656183396 /nfs/dbraw/zinc/18/33/96/656183396.db2.gz UEXAMQDSUOOARM-HTAVTVPLSA-N 2 0 252.362 -0.770 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH2+]C[C@@H]1C(C)C ZINC000704595596 656184573 /nfs/dbraw/zinc/18/45/73/656184573.db2.gz NKFKHOFVCWNYRW-UONOGXRCSA-N 2 0 273.421 -0.145 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H](N)C[NH+](C)C ZINC000705231211 656185364 /nfs/dbraw/zinc/18/53/64/656185364.db2.gz AGDOEBLWWGWZCP-LBPRGKRZSA-N 2 0 256.394 -0.325 20 0 CBADRP OCC[NH2+][C@@H]1CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000708591033 656194175 /nfs/dbraw/zinc/19/41/75/656194175.db2.gz PRAOONJWSNLJSZ-KGLIPLIRSA-N 2 0 271.405 -0.511 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000710128318 656196903 /nfs/dbraw/zinc/19/69/03/656196903.db2.gz PEUSHDNCMFPIRT-SDDRHHMPSA-N 2 0 267.373 -0.036 20 0 CBADRP CN(C)S(=O)(=O)N1CC[NH+](CCCCCC[NH3+])CC1 ZINC000710201843 656197434 /nfs/dbraw/zinc/19/74/34/656197434.db2.gz CZGJCXYXNDSQLG-UHFFFAOYSA-N 2 0 292.449 -0.071 20 0 CBADRP C[NH+](C)CC1(O)CC[NH+](CCN2CCOC2=O)CC1 ZINC000710575752 656198561 /nfs/dbraw/zinc/19/85/61/656198561.db2.gz QZQNPJIPMUILJK-UHFFFAOYSA-N 2 0 271.361 -0.173 20 0 CBADRP CCN1CC[C@@H]([NH+]2CCC(O)(C[NH+](C)C)CC2)C1=O ZINC000710588603 656198912 /nfs/dbraw/zinc/19/89/12/656198912.db2.gz MHBKCZCXJLDQHY-GFCCVEGCSA-N 2 0 269.389 -0.004 20 0 CBADRP COC[C@]1(C(=O)NCC[NH+]2CCCC2)C[NH2+]CCO1 ZINC000710755289 656200453 /nfs/dbraw/zinc/20/04/53/656200453.db2.gz NDZKNFADJIVLPQ-ZDUSSCGKSA-N 2 0 271.361 -0.797 20 0 CBADRP CC[NH+](CC)CCCNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710829172 656204202 /nfs/dbraw/zinc/20/42/02/656204202.db2.gz OCTLIFYCTCAQRG-AWEZNQCLSA-N 2 0 287.404 -0.161 20 0 CBADRP CC[NH+](CC)CCCNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710829178 656204257 /nfs/dbraw/zinc/20/42/57/656204257.db2.gz OCTLIFYCTCAQRG-CQSZACIVSA-N 2 0 287.404 -0.161 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710828213 656204690 /nfs/dbraw/zinc/20/46/90/656204690.db2.gz LNYFTHWZHWWKGI-GXTWGEPZSA-N 2 0 287.404 -0.162 20 0 CBADRP COC[C@]1(C(=O)NCC(C)(C)C[NH+](C)C)C[NH2+]CCO1 ZINC000710832343 656204811 /nfs/dbraw/zinc/20/48/11/656204811.db2.gz VGWPUBPHOXWJTE-AWEZNQCLSA-N 2 0 287.404 -0.305 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711358140 656207880 /nfs/dbraw/zinc/20/78/80/656207880.db2.gz ZYAGSJRNYBVXFQ-NFAWXSAZSA-N 2 0 280.416 -0.119 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000711356599 656208191 /nfs/dbraw/zinc/20/81/91/656208191.db2.gz UFEYKFMEKRGZKC-HIFRSBDPSA-N 2 0 280.416 -0.118 20 0 CBADRP CCn1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)nn1 ZINC000714443930 656216037 /nfs/dbraw/zinc/21/60/37/656216037.db2.gz ASHVJEHQENLEBT-LLVKDONJSA-N 2 0 280.376 -0.415 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)C12CC[NH+](CC1)C2 ZINC000715837773 656220561 /nfs/dbraw/zinc/22/05/61/656220561.db2.gz ODIWNJHKGULBBA-GFCCVEGCSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C[C@H]1C[NH2+]CCO1)C2 ZINC000877379065 656246127 /nfs/dbraw/zinc/24/61/27/656246127.db2.gz CKEDEOBTUJUBKL-GMXVVIOVSA-N 2 0 253.346 -0.567 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877384029 656246977 /nfs/dbraw/zinc/24/69/77/656246977.db2.gz CQOOOIBXMXVMJM-WCQYABFASA-N 2 0 252.362 -0.708 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000884774060 656255195 /nfs/dbraw/zinc/25/51/95/656255195.db2.gz BDSWAEDEXBAOIJ-YFKTTZPYSA-N 2 0 280.372 -0.985 20 0 CBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885194754 656259904 /nfs/dbraw/zinc/25/99/04/656259904.db2.gz DCMVEVYCFUSZRJ-LLVKDONJSA-N 2 0 284.404 -0.217 20 0 CBADRP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000895742278 656284058 /nfs/dbraw/zinc/28/40/58/656284058.db2.gz AFGDNYHWQKAAKE-QWRGUYRKSA-N 2 0 285.388 -0.016 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000896621694 656291632 /nfs/dbraw/zinc/29/16/32/656291632.db2.gz XBAJOTIDLSINMH-MCIONIFRSA-N 2 0 296.415 -0.069 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC000897764836 656295105 /nfs/dbraw/zinc/29/51/05/656295105.db2.gz PXTKDCGEILYRSD-CHWSQXEVSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(C(C)(C)CO)CC1 ZINC000901227940 656317613 /nfs/dbraw/zinc/31/76/13/656317613.db2.gz JRDGBDGDFUZJQL-WFASDCNBSA-N 2 0 299.415 -0.643 20 0 CBADRP C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322959 656324123 /nfs/dbraw/zinc/32/41/23/656324123.db2.gz LCKCQSVGBNHBEH-FRRDWIJNSA-N 2 0 257.378 -0.651 20 0 CBADRP [NH3+]CCN1CCC([NH2+]CCCN2CC[NH2+]CC2)CC1 ZINC000904351335 656325389 /nfs/dbraw/zinc/32/53/89/656325389.db2.gz XZMGGWITYRGCIG-UHFFFAOYSA-N 3 0 269.437 -0.706 20 0 CBADRP Nc1ccc(C[NH2+]CCCN2CC[NH2+]CC2)nn1 ZINC000904351476 656325487 /nfs/dbraw/zinc/32/54/87/656325487.db2.gz ZHHXUBCKWOJYCU-UHFFFAOYSA-N 2 0 250.350 -0.556 20 0 CBADRP CNC(=O)NC[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904380966 656326040 /nfs/dbraw/zinc/32/60/40/656326040.db2.gz QUFWVGXOMKGFMB-AXFHLTTASA-N 2 0 256.350 -0.647 20 0 CBADRP C[C@@]1(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)CCC[NH2+]C1 ZINC000904428426 656326534 /nfs/dbraw/zinc/32/65/34/656326534.db2.gz KHOSHKMZCQKZEO-NWDGAFQWSA-N 2 0 275.418 -0.014 20 0 CBADRP Cc1c(C[C@H](C[NH3+])CN2CCC[C@@]([NH3+])(CO)C2)cnn1C ZINC000904407181 656326833 /nfs/dbraw/zinc/32/68/33/656326833.db2.gz PJXFQLXCIPCDNW-HIFRSBDPSA-N 2 0 295.431 -0.368 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(Cc2ccc(N3CC[NH2+]CC3)o2)C1 ZINC000904407591 656327112 /nfs/dbraw/zinc/32/71/12/656327112.db2.gz WZISFCYSVFLMOD-HNNXBMFYSA-N 2 0 294.399 -0.025 20 0 CBADRP C[C@@H]1C[C@H](C[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)CC[NH2+]1 ZINC000904433924 656327350 /nfs/dbraw/zinc/32/73/50/656327350.db2.gz QWNTYEZOHNTVMV-IJLUTSLNSA-N 2 0 288.417 -0.791 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC000904959126 656330404 /nfs/dbraw/zinc/33/04/04/656330404.db2.gz KKBOAWSFNHAJKA-GFCCVEGCSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000904955930 656330485 /nfs/dbraw/zinc/33/04/85/656330485.db2.gz IVCDATLTCJSPHF-LBPRGKRZSA-N 2 0 298.431 -0.147 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000904961642 656330748 /nfs/dbraw/zinc/33/07/48/656330748.db2.gz QERUZJSXZZIBFB-UHFFFAOYSA-N 2 0 272.393 -0.550 20 0 CBADRP CC[NH+]1CCC([NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905028890 656334581 /nfs/dbraw/zinc/33/45/81/656334581.db2.gz WPNLZRJAUKGTFL-KBPBESRZSA-N 2 0 272.389 -0.037 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NCCCn2ccnc2)C1 ZINC000905045665 656336000 /nfs/dbraw/zinc/33/60/00/656336000.db2.gz DBWKYSAWGKBBCO-UHFFFAOYSA-N 2 0 279.388 -0.117 20 0 CBADRP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1(O)CCOCC1 ZINC000905060956 656336659 /nfs/dbraw/zinc/33/66/59/656336659.db2.gz ZMVJSXYIAMQCIF-GXTWGEPZSA-N 2 0 284.400 -0.037 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905094525 656337819 /nfs/dbraw/zinc/33/78/19/656337819.db2.gz GFLJCTOWDIYLJK-ZIAGYGMSSA-N 2 0 285.432 -0.122 20 0 CBADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)C2(O)CCC2)CC1 ZINC000905109206 656339685 /nfs/dbraw/zinc/33/96/85/656339685.db2.gz CTHKPIVHZUYQDF-ZDUSSCGKSA-N 2 0 285.432 -0.122 20 0 CBADRP C[C@@H](C[NH2+]C[C@H](O)C1(O)CCC1)CN1CC[NH+](C)CC1 ZINC000905111483 656339787 /nfs/dbraw/zinc/33/97/87/656339787.db2.gz SCBZKSMZKKIDKB-KBPBESRZSA-N 2 0 285.432 -0.265 20 0 CBADRP C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)C2(O)CCC2)CC1 ZINC000905150546 656341693 /nfs/dbraw/zinc/34/16/93/656341693.db2.gz ZPGPQIIDIFBTTK-CQSZACIVSA-N 2 0 285.432 -0.122 20 0 CBADRP C[NH+](C)CCOCC[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905203011 656345351 /nfs/dbraw/zinc/34/53/51/656345351.db2.gz UZAAGLXJJKCNSL-CHWSQXEVSA-N 2 0 276.377 -0.943 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1CCC[NH2+]C1 ZINC000905328955 656349333 /nfs/dbraw/zinc/34/93/33/656349333.db2.gz FPVKEXAIPPZNHD-GFCCVEGCSA-N 2 0 275.418 -0.095 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CCO1 ZINC000905330584 656349350 /nfs/dbraw/zinc/34/93/50/656349350.db2.gz URBNMZBNRDDEFZ-CMPLNLGQSA-N 2 0 291.417 -0.636 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)CC3CC[NH2+]CC3)C[C@H]12 ZINC000905342695 656350621 /nfs/dbraw/zinc/35/06/21/656350621.db2.gz KEFGIOULECJJBZ-FRRDWIJNSA-N 2 0 287.429 -0.015 20 0 CBADRP CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905343585 656350639 /nfs/dbraw/zinc/35/06/39/656350639.db2.gz JXCWGHBHTMJBIX-LBPRGKRZSA-N 2 0 275.418 -0.015 20 0 CBADRP [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)CC3CC[NH2+]CC3)C[C@@H]12 ZINC000905342698 656350732 /nfs/dbraw/zinc/35/07/32/656350732.db2.gz KEFGIOULECJJBZ-YNEHKIRRSA-N 2 0 287.429 -0.015 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000905343860 656350655 /nfs/dbraw/zinc/35/06/55/656350655.db2.gz LDIHEPLJZXGQMA-NEPJUHHUSA-N 2 0 273.402 -0.391 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NCC1=CC[NH2+]CC1 ZINC000905343461 656350720 /nfs/dbraw/zinc/35/07/20/656350720.db2.gz ICMSYLNWRUWPSL-UHFFFAOYSA-N 2 0 273.402 -0.175 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905343766 656350754 /nfs/dbraw/zinc/35/07/54/656350754.db2.gz SVVWAYSZKFCLOX-CMPLNLGQSA-N 2 0 275.418 -0.015 20 0 CBADRP [NH3+][C@H](CNS(=O)(=O)CC1CC[NH2+]CC1)C1CC1 ZINC000905344375 656351304 /nfs/dbraw/zinc/35/13/04/656351304.db2.gz YPUJPXRYQFQHRX-LLVKDONJSA-N 2 0 261.391 -0.357 20 0 CBADRP [NH3+]CC[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)C(F)F ZINC000905345920 656351485 /nfs/dbraw/zinc/35/14/85/656351485.db2.gz ZJICJUAAOWARGN-VIFPVBQESA-N 2 0 285.360 -0.112 20 0 CBADRP CC[NH2+][C@H](C)CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905345395 656351509 /nfs/dbraw/zinc/35/15/09/656351509.db2.gz WBAUGASIVYBNQX-SNVBAGLBSA-N 2 0 263.407 -0.097 20 0 CBADRP C[C@@]1(NS(=O)(=O)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC000905363069 656354017 /nfs/dbraw/zinc/35/40/17/656354017.db2.gz YYYTXAKDTIWPBV-LLVKDONJSA-N 2 0 261.391 -0.343 20 0 CBADRP OC[C@H](C[C@H]1CCCO1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000905462887 656358801 /nfs/dbraw/zinc/35/88/01/656358801.db2.gz XFJBJKLESARKER-BFHYXJOUSA-N 2 0 272.389 -0.037 20 0 CBADRP CCO[C@@H](CNC[C@H](O)C[NH+]1CCCC1)C[NH+](C)C ZINC000905574854 656361857 /nfs/dbraw/zinc/36/18/57/656361857.db2.gz DSUXCAFXEBCOAQ-KBPBESRZSA-N 2 0 273.421 -0.001 20 0 CBADRP C[C@@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)[NH+](C)C ZINC000906073672 656378208 /nfs/dbraw/zinc/37/82/08/656378208.db2.gz RIYYHTCWPAMRCE-NSHDSACASA-N 2 0 256.394 -0.454 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NC[C@H]2CCC[NH+](C)C2)C1 ZINC000906622109 656394648 /nfs/dbraw/zinc/39/46/48/656394648.db2.gz OWEOEYDCQNQNQO-CYBMUJFWSA-N 2 0 282.432 -0.062 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000996517088 656417513 /nfs/dbraw/zinc/41/75/13/656417513.db2.gz DEFOMPVJKWXMER-RYUDHWBXSA-N 2 0 296.415 -0.360 20 0 CBADRP NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000996561479 656420455 /nfs/dbraw/zinc/42/04/55/656420455.db2.gz PLYVLGHJUOQDBJ-CYBMUJFWSA-N 2 0 294.399 -0.606 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CC(N)=O)CC2)CC[N@@H+]1C ZINC000996602734 656447114 /nfs/dbraw/zinc/44/71/14/656447114.db2.gz GCMVDBMGEACFQY-QWHCGFSZSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]([NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1)C(N)=O ZINC000996663694 656449661 /nfs/dbraw/zinc/44/96/61/656449661.db2.gz JAOAZWWOPUDXPM-LLVKDONJSA-N 2 0 296.415 -0.075 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996658898 656450040 /nfs/dbraw/zinc/45/00/40/656450040.db2.gz DISPJEXOQATLCV-ZDUSSCGKSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[C@H](C(=O)N1CCC([NH2+]CCO)CC1)[NH+](C)C ZINC000996710980 656454189 /nfs/dbraw/zinc/45/41/89/656454189.db2.gz HXBIGFQFKBKYPX-GFCCVEGCSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[C@H](C(=O)N1CCC([NH2+]CC(N)=O)CC1)[NH+](C)C ZINC000996713601 656454464 /nfs/dbraw/zinc/45/44/64/656454464.db2.gz WSLDBROPAAIHOG-LLVKDONJSA-N 2 0 270.377 -0.608 20 0 CBADRP CC[C@H](C(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1)[NH+](C)C ZINC000996713763 656454727 /nfs/dbraw/zinc/45/47/27/656454727.db2.gz WZZCTTBFVDHRGC-ZYHUDNBSSA-N 2 0 284.404 -0.219 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996729354 656454770 /nfs/dbraw/zinc/45/47/70/656454770.db2.gz NRWMCLXLQVLYPY-LBPRGKRZSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1)C(N)=O ZINC000997008009 656463441 /nfs/dbraw/zinc/46/34/41/656463441.db2.gz SVSWAPVATGKIHB-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1)C(N)=O ZINC000996997076 656463604 /nfs/dbraw/zinc/46/36/04/656463604.db2.gz DZBGAFPVZDGQMJ-NWDGAFQWSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996993841 656463682 /nfs/dbraw/zinc/46/36/82/656463682.db2.gz GCCPNBNBESFBHF-NSHDSACASA-N 2 0 282.388 -0.463 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000997179162 656469546 /nfs/dbraw/zinc/46/95/46/656469546.db2.gz GUVKRGSZOOIMLH-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H]([NH2+]C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC000997179911 656469632 /nfs/dbraw/zinc/46/96/32/656469632.db2.gz MBSOYBTWWYTDQO-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997299520 656471773 /nfs/dbraw/zinc/47/17/73/656471773.db2.gz OTVWKGGLTYDZEQ-VXGBXAGGSA-N 2 0 269.389 -0.101 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997368924 656474555 /nfs/dbraw/zinc/47/45/55/656474555.db2.gz XFCJTPDODPROBO-CYBMUJFWSA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH+]1CC2(C1)CCN(C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)C2 ZINC000907762550 656570605 /nfs/dbraw/zinc/57/06/05/656570605.db2.gz FRHHHXKHZVHNSH-WCQYABFASA-N 2 0 267.373 -0.394 20 0 CBADRP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000907780438 656574173 /nfs/dbraw/zinc/57/41/73/656574173.db2.gz FBBLMYUKFVSGLG-NWANDNLSSA-N 2 0 299.415 -0.643 20 0 CBADRP C[NH+](C)C[C@]1(O)CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000907780414 656574424 /nfs/dbraw/zinc/57/44/24/656574424.db2.gz DFLXWGDJLRVXJN-OAHLLOKOSA-N 2 0 281.400 -0.003 20 0 CBADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC([NH2+]CC(N)=O)C1 ZINC000998995062 656600664 /nfs/dbraw/zinc/60/06/64/656600664.db2.gz OTARKLNMCYRVHY-HTAVTVPLSA-N 2 0 282.388 -0.465 20 0 CBADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC([NH2+]CC(N)=O)C1 ZINC000999050032 656604455 /nfs/dbraw/zinc/60/44/55/656604455.db2.gz IGZQEFIQIDPSNY-UHFFFAOYSA-N 2 0 294.399 -0.321 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCN1CC=CCC1 ZINC000907887621 656604579 /nfs/dbraw/zinc/60/45/79/656604579.db2.gz PVUQYBVTPMIHPN-TZMCWYRMSA-N 2 0 267.373 -0.180 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000999146465 656612763 /nfs/dbraw/zinc/61/27/63/656612763.db2.gz WJGGGTFIWSTEDC-CHWSQXEVSA-N 2 0 296.415 -0.075 20 0 CBADRP NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999168501 656613611 /nfs/dbraw/zinc/61/36/11/656613611.db2.gz BSBKSXRQNZJLFA-STQMWFEESA-N 2 0 294.399 -0.606 20 0 CBADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CC([NH2+]CC(N)=O)C1 ZINC000999222549 656616821 /nfs/dbraw/zinc/61/68/21/656616821.db2.gz HWWPONARIZBWLX-UHFFFAOYSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)CCC1 ZINC000999350629 656626239 /nfs/dbraw/zinc/62/62/39/656626239.db2.gz ZCPJHVAENOKJPM-LLVKDONJSA-N 2 0 282.388 -0.463 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)C12CC[NH+](CC1)C2 ZINC000908030541 656627401 /nfs/dbraw/zinc/62/74/01/656627401.db2.gz XVVFDLWFHMUAIR-CYBMUJFWSA-N 2 0 278.400 -0.412 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000999404124 656628685 /nfs/dbraw/zinc/62/86/85/656628685.db2.gz ZELNDKUAQNQACI-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000999513265 656631657 /nfs/dbraw/zinc/63/16/57/656631657.db2.gz RSJROXANOJKGGD-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP CC(C)(C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC000999877639 656663683 /nfs/dbraw/zinc/66/36/83/656663683.db2.gz VUJFJGWFFQWCMH-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000908204390 656670551 /nfs/dbraw/zinc/67/05/51/656670551.db2.gz VFABHNIWLMLRQX-KYEXWDHISA-N 2 0 297.399 -0.891 20 0 CBADRP C[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC001000081259 656687043 /nfs/dbraw/zinc/68/70/43/656687043.db2.gz LNQVEHCLXOTHFB-GFCCVEGCSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001000192518 656701256 /nfs/dbraw/zinc/70/12/56/656701256.db2.gz MQTAMDZHEFJYFT-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000908363564 656712943 /nfs/dbraw/zinc/71/29/43/656712943.db2.gz RCLLAUXHDGSHCC-SNPRPXQTSA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000908414686 656722616 /nfs/dbraw/zinc/72/26/16/656722616.db2.gz KRGDNLLYCRPTTG-BYNQJWBRSA-N 2 0 269.389 -0.008 20 0 CBADRP C[NH+](C)CC1CN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000908532625 656743228 /nfs/dbraw/zinc/74/32/28/656743228.db2.gz CAYUDFAGNXBHEZ-CYBMUJFWSA-N 2 0 267.373 -0.273 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001000703007 656759368 /nfs/dbraw/zinc/75/93/68/656759368.db2.gz SVAGAEUNBZCGQF-NEPJUHHUSA-N 2 0 294.399 -0.463 20 0 CBADRP CCN1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001000979784 656779693 /nfs/dbraw/zinc/77/96/93/656779693.db2.gz TVTZBUUWNOAAKV-STQMWFEESA-N 2 0 285.388 -0.720 20 0 CBADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C[C@@]3(O)CCC[N@H+](C)C3)C[C@H]21 ZINC000909146025 656784438 /nfs/dbraw/zinc/78/44/38/656784438.db2.gz MRAUQDPVTZZKHA-MXYBEHONSA-N 2 0 281.400 -0.148 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001001007448 656785695 /nfs/dbraw/zinc/78/56/95/656785695.db2.gz KMYIJFGCAWWGRX-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1=CC[NH+](CCO)CC1 ZINC001001151133 656801382 /nfs/dbraw/zinc/80/13/82/656801382.db2.gz LCWZJFCRQMWWHM-JSGCOSHPSA-N 2 0 281.400 -0.075 20 0 CBADRP CNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001001237718 656803844 /nfs/dbraw/zinc/80/38/44/656803844.db2.gz JNHPZYDIRGKPIM-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](C(=O)NCC(=O)NCC[NH+]1CCCCC1)[NH+](C)C ZINC000909313784 656805725 /nfs/dbraw/zinc/80/57/25/656805725.db2.gz UPTRLHARMXYONT-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001002119676 656826560 /nfs/dbraw/zinc/82/65/60/656826560.db2.gz CSBYFBHBYODKEJ-CYBMUJFWSA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001002119495 656826763 /nfs/dbraw/zinc/82/67/63/656826763.db2.gz ARWBISMIIFQEON-DGCLKSJQSA-N 2 0 296.415 -0.360 20 0 CBADRP COC(=O)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[N@H+](C)C1 ZINC000910413487 656856700 /nfs/dbraw/zinc/85/67/00/656856700.db2.gz LUBMWDLHDHWXEF-LBPRGKRZSA-N 2 0 295.383 -0.355 20 0 CBADRP O=C(NC1CC[NH+](CCO)CC1)C12CC[NH+](CC1)C2 ZINC001003983967 656878813 /nfs/dbraw/zinc/87/88/13/656878813.db2.gz WVTDPBWMUVLZKT-UHFFFAOYSA-N 2 0 267.373 -0.345 20 0 CBADRP CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004147033 656881908 /nfs/dbraw/zinc/88/19/08/656881908.db2.gz CJRQFLHVZWIPAP-DGCLKSJQSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCCO)CC2)C1 ZINC001004150409 656881933 /nfs/dbraw/zinc/88/19/33/656881933.db2.gz SDBNHNCVSMXEIW-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CC1)[NH+]1CCCCC1 ZINC000910945726 656909808 /nfs/dbraw/zinc/90/98/08/656909808.db2.gz DZTRMUPCSDRRPC-NSHDSACASA-N 2 0 282.388 -0.416 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000910963781 656914864 /nfs/dbraw/zinc/91/48/64/656914864.db2.gz OTGZVBGUCAKCNC-VXGBXAGGSA-N 2 0 296.415 -0.360 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000910963242 656915591 /nfs/dbraw/zinc/91/55/91/656915591.db2.gz KKUPKXFSHJLBKI-ZYHUDNBSSA-N 2 0 282.388 -0.608 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000910975003 656916998 /nfs/dbraw/zinc/91/69/98/656916998.db2.gz BPBANGGRNHNOMD-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC[N@@H+]1C ZINC000911007227 656928102 /nfs/dbraw/zinc/92/81/02/656928102.db2.gz IXSCHEDDZWFYIR-CKIKVBCHSA-N 2 0 294.399 -0.406 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+])C1CC1 ZINC000911061423 656938177 /nfs/dbraw/zinc/93/81/77/656938177.db2.gz REZZJYXUWMWFQF-IAQYHMDHSA-N 2 0 294.399 -0.463 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+])C1CC1 ZINC000911061428 656938466 /nfs/dbraw/zinc/93/84/66/656938466.db2.gz REZZJYXUWMWFQF-XHDPSFHLSA-N 2 0 294.399 -0.463 20 0 CBADRP CC1(C)CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1[NH3+] ZINC000911072242 656939010 /nfs/dbraw/zinc/93/90/10/656939010.db2.gz HOUCSAIRBNKHKT-ZYHUDNBSSA-N 2 0 294.399 -0.465 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911072365 656939699 /nfs/dbraw/zinc/93/96/99/656939699.db2.gz JRIXCLIUPQIBGX-OUAUKWLOSA-N 2 0 270.377 -0.833 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1C[NH3+] ZINC000911071995 656939726 /nfs/dbraw/zinc/93/97/26/656939726.db2.gz FNSLBQUWBPSWBG-UTUOFQBUSA-N 2 0 294.399 -0.608 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000911073280 656940311 /nfs/dbraw/zinc/94/03/11/656940311.db2.gz RGFQUVSMQACJBQ-QJPTWQEYSA-N 2 0 294.399 -0.417 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000911073814 656940541 /nfs/dbraw/zinc/94/05/41/656940541.db2.gz WLVYBFUMIWTTLP-MNOVXSKESA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911073883 656940734 /nfs/dbraw/zinc/94/07/34/656940734.db2.gz XDLZUKPDYIGBSG-SECBINFHSA-N 2 0 256.350 -0.950 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000911073817 656940801 /nfs/dbraw/zinc/94/08/01/656940801.db2.gz WLVYBFUMIWTTLP-WDEREUQCSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000911073260 656940981 /nfs/dbraw/zinc/94/09/81/656940981.db2.gz RDCRGZBYMUBGQE-YNEHKIRRSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000911073050 656941411 /nfs/dbraw/zinc/94/14/11/656941411.db2.gz PTEAJJVGCWFMRK-TYNCELHUSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911079815 656942325 /nfs/dbraw/zinc/94/23/25/656942325.db2.gz PSQVBRDJDZLPHU-QWRGUYRKSA-N 2 0 282.388 -0.417 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CCC1 ZINC000911112666 656949879 /nfs/dbraw/zinc/94/98/79/656949879.db2.gz GOBIEMDHAQGTOT-XYPYZODXSA-N 2 0 282.388 -0.560 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911138562 656961820 /nfs/dbraw/zinc/96/18/20/656961820.db2.gz SIMHMUZRQNGHIS-FRRDWIJNSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000911148658 656964916 /nfs/dbraw/zinc/96/49/16/656964916.db2.gz ZHXMLAOICTVRJX-PRULPYPASA-N 2 0 294.399 -0.548 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000911163796 656967908 /nfs/dbraw/zinc/96/79/08/656967908.db2.gz YWTQQFORSPEIPC-CHWSQXEVSA-N 2 0 296.415 -0.441 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911187722 656975797 /nfs/dbraw/zinc/97/57/97/656975797.db2.gz PERNCIVRHZOMEX-NEPJUHHUSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911187723 656976679 /nfs/dbraw/zinc/97/66/79/656976679.db2.gz PERNCIVRHZOMEX-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)CC1CCC(NC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911189217 656977601 /nfs/dbraw/zinc/97/76/01/656977601.db2.gz YSZGESUEUZEFHX-UHFFFAOYSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)C(C)(C)C[NH+](C)C ZINC000911198302 656982412 /nfs/dbraw/zinc/98/24/12/656982412.db2.gz IHQCUZZVEGHIIC-SRVKXCTJSA-N 2 0 298.431 -0.068 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)[N@H+](C)C1CC1 ZINC000911206018 656984226 /nfs/dbraw/zinc/98/42/26/656984226.db2.gz OPINTJHRGBUMCW-UTUOFQBUSA-N 2 0 296.415 -0.443 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000911215676 656987538 /nfs/dbraw/zinc/98/75/38/656987538.db2.gz RCQOBBBORPEXRO-AVGNSLFASA-N 2 0 294.399 -0.321 20 0 CBADRP C[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000911218859 656990963 /nfs/dbraw/zinc/99/09/63/656990963.db2.gz LTFYEDSWWQETJH-NTZNESFSSA-N 2 0 294.399 -0.523 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911244009 656994596 /nfs/dbraw/zinc/99/45/96/656994596.db2.gz FBJIMEKAWQRPLC-LLVKDONJSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H](CCNC(=O)C(=O)NCC1([NH3+])CC1)[NH+]1CCCCC1 ZINC000911242809 656994740 /nfs/dbraw/zinc/99/47/40/656994740.db2.gz JCCXMONQTVXQRY-LBPRGKRZSA-N 2 0 296.415 -0.025 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000911244014 656994953 /nfs/dbraw/zinc/99/49/53/656994953.db2.gz FCNHYBGJBGIXEX-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911259742 657000845 /nfs/dbraw/zinc/00/08/45/657000845.db2.gz ZWSSHAQSUABERN-YVECIDJPSA-N 2 0 296.415 -0.158 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911258989 657001413 /nfs/dbraw/zinc/00/14/13/657001413.db2.gz VODYEGVVWFUZFU-IJLUTSLNSA-N 2 0 284.404 -0.443 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911258530 657001416 /nfs/dbraw/zinc/00/14/16/657001416.db2.gz QJBLMVLKBDNPFG-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)C[NH+]1CCCC1 ZINC000911267907 657003482 /nfs/dbraw/zinc/00/34/82/657003482.db2.gz AMEOMEZXTYAMKP-YNEHKIRRSA-N 2 0 296.415 -0.441 20 0 CBADRP CC(C)[NH+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000911269544 657004215 /nfs/dbraw/zinc/00/42/15/657004215.db2.gz YGAURWLKJSKOSN-CHWSQXEVSA-N 2 0 298.431 -0.055 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H]1[NH3+] ZINC000911270142 657004545 /nfs/dbraw/zinc/00/45/45/657004545.db2.gz UBJKOEFZJPXYJL-NDBYEHHHSA-N 2 0 294.399 -0.465 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(CC(N)=O)C2)CC[N@@H+]1C ZINC001007368068 657008041 /nfs/dbraw/zinc/00/80/41/657008041.db2.gz AGYOUSZXBNVZIL-RWMBFGLXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(CC(N)=O)C2)CC[N@@H+]1C ZINC001007370582 657008089 /nfs/dbraw/zinc/00/80/89/657008089.db2.gz BUYBQZWRAYACCZ-GRYCIOLGSA-N 2 0 282.388 -0.608 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000911282913 657009608 /nfs/dbraw/zinc/00/96/08/657009608.db2.gz DXRISAUBUWCRPG-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000911283184 657009650 /nfs/dbraw/zinc/00/96/50/657009650.db2.gz XTRAGEBUUWNQOU-XIKARTHZSA-N 2 0 296.415 -0.027 20 0 CBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NCC2C[NH2+]C2)C1 ZINC000911288628 657011053 /nfs/dbraw/zinc/01/10/53/657011053.db2.gz POTHEFSPFQJDHQ-UHFFFAOYSA-N 2 0 282.388 -0.830 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911325387 657020340 /nfs/dbraw/zinc/02/03/40/657020340.db2.gz SJCDELKMAFJNAY-KIJLLGNVSA-N 2 0 294.399 -0.548 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000911325567 657020481 /nfs/dbraw/zinc/02/04/81/657020481.db2.gz VCPYOTVURCWQRD-WISYIIOYSA-N 2 0 282.388 -0.833 20 0 CBADRP C[NH2+]CCN(C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C(C)C ZINC000911324514 657020819 /nfs/dbraw/zinc/02/08/19/657020819.db2.gz DXRKTUJQILTTFR-BETUJISGSA-N 2 0 298.431 -0.101 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911337643 657022528 /nfs/dbraw/zinc/02/25/28/657022528.db2.gz UGGCESBURKPTND-AGIUHOORSA-N 2 0 296.415 -0.441 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000911338295 657022814 /nfs/dbraw/zinc/02/28/14/657022814.db2.gz IQPPKPFFIMFHFB-NSHDSACASA-N 2 0 286.420 -0.243 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911335898 657023202 /nfs/dbraw/zinc/02/32/02/657023202.db2.gz CIOLNMHCPBNEMQ-IJLUTSLNSA-N 2 0 282.388 -0.560 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000911337801 657023341 /nfs/dbraw/zinc/02/33/41/657023341.db2.gz WVLKSEJFWXIIFY-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000911365033 657027780 /nfs/dbraw/zinc/02/77/80/657027780.db2.gz ARECYRGSCQVFPP-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C2CC2)CC1 ZINC000911366978 657027805 /nfs/dbraw/zinc/02/78/05/657027805.db2.gz KSGWMMZTKLXHTM-ZYHUDNBSSA-N 2 0 280.372 -0.983 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000911367246 657028095 /nfs/dbraw/zinc/02/80/95/657028095.db2.gz MSXRWBGKBJUICT-LPWJVIDDSA-N 2 0 294.399 -0.737 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911370084 657029332 /nfs/dbraw/zinc/02/93/32/657029332.db2.gz NWJFPPWSEBLVBF-CHWSQXEVSA-N 2 0 298.431 -0.243 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000911375267 657030946 /nfs/dbraw/zinc/03/09/46/657030946.db2.gz UGMQOBQFGGYZKU-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000911381697 657033453 /nfs/dbraw/zinc/03/34/53/657033453.db2.gz AEWFZTXNUCAXEE-AGIUHOORSA-N 2 0 296.415 -0.489 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911438793 657041377 /nfs/dbraw/zinc/04/13/77/657041377.db2.gz CQURFFLOZFXMMG-IUODEOHRSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000911453310 657043029 /nfs/dbraw/zinc/04/30/29/657043029.db2.gz AUCOEIKHSKZOEK-UHFFFAOYSA-N 2 0 296.415 -0.073 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911488115 657055515 /nfs/dbraw/zinc/05/55/15/657055515.db2.gz HZXJPGRWVHXBNO-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911503244 657057147 /nfs/dbraw/zinc/05/71/47/657057147.db2.gz NKILNMRGMGSDQI-LLVKDONJSA-N 2 0 282.388 -0.417 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911504370 657058690 /nfs/dbraw/zinc/05/86/90/657058690.db2.gz KGHMCABJUIEXBC-UHFFFAOYSA-N 2 0 270.377 -0.608 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911505836 657059658 /nfs/dbraw/zinc/05/96/58/657059658.db2.gz UTNGJABVYBYSBX-LBPRGKRZSA-N 2 0 296.415 -0.312 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911505336 657059735 /nfs/dbraw/zinc/05/97/35/657059735.db2.gz AEAHPCIINOLZGV-UHFFFAOYSA-N 2 0 268.361 -0.854 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911508003 657061676 /nfs/dbraw/zinc/06/16/76/657061676.db2.gz ZTYMQWXKNBQEKS-UHFFFAOYSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911527515 657066785 /nfs/dbraw/zinc/06/67/85/657066785.db2.gz GPTGKNJFALWHMZ-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911528571 657067562 /nfs/dbraw/zinc/06/75/62/657067562.db2.gz QDJXOYOFKDSYFA-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911527635 657067718 /nfs/dbraw/zinc/06/77/18/657067718.db2.gz JAPMLHOFCCXDSC-RYUDHWBXSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC[NH2+]1 ZINC000911529668 657068612 /nfs/dbraw/zinc/06/86/12/657068612.db2.gz FJAQEWOHJLCZIS-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000911530535 657068765 /nfs/dbraw/zinc/06/87/65/657068765.db2.gz ZASZIVAJBRSSHX-NWDGAFQWSA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911556753 657076395 /nfs/dbraw/zinc/07/63/95/657076395.db2.gz LRMWNRVAZPQBPT-JHJVBQTASA-N 2 0 296.415 -0.219 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC001009507894 657076584 /nfs/dbraw/zinc/07/65/84/657076584.db2.gz INZYKNGMYKTVSA-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000911564980 657080079 /nfs/dbraw/zinc/08/00/79/657080079.db2.gz XMVCSPLQAWBRSL-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP Cc1sc(CN)nc1C(=O)NCCCN1CC[NH2+]CC1 ZINC000911631149 657089643 /nfs/dbraw/zinc/08/96/43/657089643.db2.gz ZBCUVYMFYBIOPU-UHFFFAOYSA-N 2 0 297.428 -0.065 20 0 CBADRP CC(C)(C[NH3+])CC(=O)NCCCN1CC[NH2+]CC1 ZINC000911630171 657089670 /nfs/dbraw/zinc/08/96/70/657089670.db2.gz OJTHIKYQGGNFPF-UHFFFAOYSA-N 2 0 256.394 -0.227 20 0 CBADRP [NH3+][C@@H]1CCc2cc(C(=O)N3CC[NH2+]CC3)ccc2NC1=O ZINC000911646844 657094667 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C[NH2+][C@@H]1CCN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)C1 ZINC000911661463 657098885 /nfs/dbraw/zinc/09/88/85/657098885.db2.gz VBWGVPFJFIWDNF-MFKMUULPSA-N 2 0 266.345 -0.295 20 0 CBADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]1C[NH2+]CCN1C ZINC000911667687 657099393 /nfs/dbraw/zinc/09/93/93/657099393.db2.gz QMGUGEDWISWNGF-QWHCGFSZSA-N 2 0 292.383 -0.285 20 0 CBADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC000911667757 657100183 /nfs/dbraw/zinc/10/01/83/657100183.db2.gz SBBCRPVBMUKDNB-HCKVZZMMSA-N 2 0 293.367 -0.076 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)C1=NOC2(C1)CC[NH2+]CC2 ZINC000911672179 657100237 /nfs/dbraw/zinc/10/02/37/657100237.db2.gz BENGDAQHQDCUEZ-JTQLQIEISA-N 2 0 266.345 -0.247 20 0 CBADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC000911667759 657100245 /nfs/dbraw/zinc/10/02/45/657100245.db2.gz SBBCRPVBMUKDNB-JVLSTEMRSA-N 2 0 293.367 -0.076 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911672944 657101315 /nfs/dbraw/zinc/10/13/15/657101315.db2.gz HSHVGLSGXOIBAR-MFKMUULPSA-N 2 0 266.345 -0.247 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCC1CC[NH2+]CC1 ZINC000911673835 657101793 /nfs/dbraw/zinc/10/17/93/657101793.db2.gz XYKRMSDMCRZSSZ-ZDUSSCGKSA-N 2 0 284.404 -0.408 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911672942 657101933 /nfs/dbraw/zinc/10/19/33/657101933.db2.gz HSHVGLSGXOIBAR-GWCFXTLKSA-N 2 0 266.345 -0.247 20 0 CBADRP [NH3+][C@H](C(=O)NCC(=O)N1CC[NH2+]CC1)C1CCCCCC1 ZINC000911702235 657107408 /nfs/dbraw/zinc/10/74/08/657107408.db2.gz KTSDZMRJUBFURH-AWEZNQCLSA-N 2 0 296.415 -0.168 20 0 CBADRP [NH3+]C[C@@H]1CCCCN1C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000911713066 657111404 /nfs/dbraw/zinc/11/14/04/657111404.db2.gz FMJHGLVFSHUACH-AAEUAGOBSA-N 2 0 255.362 -0.169 20 0 CBADRP C[C@H](NC(=O)[C@@H]1C[NH2+]CCN1C)[C@@H]1CCC[NH2+]C1 ZINC000911718079 657112838 /nfs/dbraw/zinc/11/28/38/657112838.db2.gz HUCYIFITJXYIQZ-TUAOUCFPSA-N 2 0 254.378 -0.606 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NC[C@H]1CCCC[NH2+]1 ZINC000911713483 657112969 /nfs/dbraw/zinc/11/29/69/657112969.db2.gz JADGIBRIEMHETK-YPMHNXCESA-N 2 0 255.362 -0.251 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NC[C@@H]1CCCC[NH2+]1 ZINC000911713480 657113198 /nfs/dbraw/zinc/11/31/98/657113198.db2.gz JADGIBRIEMHETK-AAEUAGOBSA-N 2 0 255.362 -0.251 20 0 CBADRP C[C@H](NC(=O)[C@@H]1C[NH2+]CCN1C)[C@H]1CCC[NH2+]C1 ZINC000911718077 657113320 /nfs/dbraw/zinc/11/33/20/657113320.db2.gz HUCYIFITJXYIQZ-SRVKXCTJSA-N 2 0 254.378 -0.606 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC000911721856 657115848 /nfs/dbraw/zinc/11/58/48/657115848.db2.gz MGNGGXPKDJDTMC-SNVBAGLBSA-N 2 0 266.345 -0.295 20 0 CBADRP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000911720979 657116138 /nfs/dbraw/zinc/11/61/38/657116138.db2.gz STTGCWYAGFQANM-ZPFDUUQYSA-N 2 0 255.362 -0.396 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CCCC[C@H]2C[NH3+])C1=O ZINC000911722633 657116359 /nfs/dbraw/zinc/11/63/59/657116359.db2.gz UMHAYCFEZXQAEJ-NWDGAFQWSA-N 2 0 282.388 -0.477 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000911729763 657117561 /nfs/dbraw/zinc/11/75/61/657117561.db2.gz ISXZBKAKMGFJIR-JHJVBQTASA-N 2 0 296.415 -0.455 20 0 CBADRP C[NH2+]C1CC(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000911727339 657117942 /nfs/dbraw/zinc/11/79/42/657117942.db2.gz KBTSMONUWSFGPG-UNXYVOJBSA-N 2 0 282.388 -0.702 20 0 CBADRP C[NH+](C)C1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000911726735 657118094 /nfs/dbraw/zinc/11/80/94/657118094.db2.gz GTPUAQGBLYCCCE-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000911735583 657118972 /nfs/dbraw/zinc/11/89/72/657118972.db2.gz WQXSYFKVGKPTOQ-AWEZNQCLSA-N 2 0 276.384 -0.292 20 0 CBADRP [NH3+]C[C@@H]1CCN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000911738924 657119712 /nfs/dbraw/zinc/11/97/12/657119712.db2.gz ODWIYMDVJSZVLH-GXFFZTMASA-N 2 0 266.345 -0.308 20 0 CBADRP [NH3+]CCNCC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000911734155 657119944 /nfs/dbraw/zinc/11/99/44/657119944.db2.gz JLFBIIKJVOIEJA-UHFFFAOYSA-N 2 0 250.346 -0.648 20 0 CBADRP CC[NH2+]CCNC(=O)CCNC(=O)[C@H]([NH3+])C(C)C ZINC000911750689 657121274 /nfs/dbraw/zinc/12/12/74/657121274.db2.gz PGCFIBVKSZEFLP-LLVKDONJSA-N 2 0 258.366 -0.798 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)CCNC(=O)[C@H]([NH3+])C(C)C ZINC000911762728 657124257 /nfs/dbraw/zinc/12/42/57/657124257.db2.gz CZKSAOOQLSQHIY-CYBMUJFWSA-N 2 0 286.420 -0.020 20 0 CBADRP CCCN(C(=O)[C@@H]1C[NH2+]CCN1C)[C@@H]1CC[NH2+]C1 ZINC000911766332 657124472 /nfs/dbraw/zinc/12/44/72/657124472.db2.gz DPIPGGWNZBIQMJ-NEPJUHHUSA-N 2 0 254.378 -0.510 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911763581 657124676 /nfs/dbraw/zinc/12/46/76/657124676.db2.gz KNGGAPJLMDSCGO-CYBMUJFWSA-N 2 0 257.378 -0.005 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)NCC[C@@H]2CC[NH2+]C2)n1 ZINC000911769266 657125432 /nfs/dbraw/zinc/12/54/32/657125432.db2.gz SRDFYZYOWRHJDJ-NSHDSACASA-N 2 0 265.361 -0.039 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1[NH2+]CC12CCCC2 ZINC000911774484 657125809 /nfs/dbraw/zinc/12/58/09/657125809.db2.gz JAVDHIOMBPIFAT-CYBMUJFWSA-N 2 0 280.416 -0.118 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911774139 657125861 /nfs/dbraw/zinc/12/58/61/657125861.db2.gz JDRQXAHELXVOQS-JSGCOSHPSA-N 2 0 266.389 -0.650 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)CC1CC([NH3+])C1 ZINC000911776511 657126837 /nfs/dbraw/zinc/12/68/37/657126837.db2.gz VZMVBPNSAAVRGB-UHFFFAOYSA-N 2 0 254.378 -0.523 20 0 CBADRP CN(C(=O)C1=NOC2(C1)CC[NH2+]CC2)[C@@H]1CC[NH2+]C1 ZINC000911783239 657128002 /nfs/dbraw/zinc/12/80/02/657128002.db2.gz RPBBKKXSJWTKSH-SNVBAGLBSA-N 2 0 266.345 -0.295 20 0 CBADRP CN(C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000911781829 657128698 /nfs/dbraw/zinc/12/86/98/657128698.db2.gz BOCVFHQKZAZZRC-MFKMUULPSA-N 2 0 266.345 -0.295 20 0 CBADRP CN(C(=O)[C@H]1CCCN(CC[NH3+])C1=O)[C@@H]1CC[NH2+]C1 ZINC000911788099 657129820 /nfs/dbraw/zinc/12/98/20/657129820.db2.gz OEFQNFSEGCJTDY-GHMZBOCLSA-N 2 0 268.361 -0.996 20 0 CBADRP CN(C(=O)[C@H]1CCCN(CC[NH3+])C1=O)[C@H]1CC[NH2+]C1 ZINC000911788102 657130325 /nfs/dbraw/zinc/13/03/25/657130325.db2.gz OEFQNFSEGCJTDY-WDEREUQCSA-N 2 0 268.361 -0.996 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C[C@H](C)[NH2+]1 ZINC000911799189 657132340 /nfs/dbraw/zinc/13/23/40/657132340.db2.gz FYQQBTBLDZIWBU-CZXHOFHRSA-N 2 0 267.373 -0.179 20 0 CBADRP C[C@@](C[NH3+])(NC(=O)C[C@]1(O)CCC[NH2+]C1)C1CC1 ZINC000911800683 657133256 /nfs/dbraw/zinc/13/32/56/657133256.db2.gz VOQBBYVMQWOCIJ-QWHCGFSZSA-N 2 0 255.362 -0.265 20 0 CBADRP C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC[NH2+]1 ZINC000911809093 657137167 /nfs/dbraw/zinc/13/71/67/657137167.db2.gz IMURZJGAHFTYSV-LOWVWBTDSA-N 2 0 253.346 -0.567 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000911810538 657137227 /nfs/dbraw/zinc/13/72/27/657137227.db2.gz NBIYHENWNBPNRS-BXKDBHETSA-N 2 0 254.334 -0.310 20 0 CBADRP C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC[C@H]1[NH3+] ZINC000911819419 657140330 /nfs/dbraw/zinc/14/03/30/657140330.db2.gz DBGSMPPIRRBLIZ-SFTQSGBHSA-N 2 0 267.373 -0.192 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC000911828126 657141694 /nfs/dbraw/zinc/14/16/94/657141694.db2.gz ZLJWWJAAKRXNKT-XQQFMLRXSA-N 2 0 296.415 -0.231 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC000911827377 657142011 /nfs/dbraw/zinc/14/20/11/657142011.db2.gz WZGZASGSXSIFQI-TUAOUCFPSA-N 2 0 254.378 -0.524 20 0 CBADRP [NH3+]C[C@H](NC(=O)C1=NOC2(C1)CC[NH2+]CC2)C1CC1 ZINC000911831720 657142152 /nfs/dbraw/zinc/14/21/52/657142152.db2.gz DNDVAWWIOXYKMB-NSHDSACASA-N 2 0 266.345 -0.262 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC000911866702 657150682 /nfs/dbraw/zinc/15/06/82/657150682.db2.gz BQFHDAUQDJMYON-NEPJUHHUSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CCO1 ZINC000911878773 657154320 /nfs/dbraw/zinc/15/43/20/657154320.db2.gz AAJSEGULCRHDFE-MJDLHHQISA-N 2 0 253.346 -0.584 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000911879027 657154745 /nfs/dbraw/zinc/15/47/45/657154745.db2.gz KIEWCFSUFUFMJP-QWHCGFSZSA-N 2 0 268.405 -0.040 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)CCO1 ZINC000911881129 657155244 /nfs/dbraw/zinc/15/52/44/657155244.db2.gz CTQGRPRRVYQHFZ-ZSOJELSESA-N 2 0 253.346 -0.456 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)CCO1 ZINC000911881095 657155635 /nfs/dbraw/zinc/15/56/35/657155635.db2.gz CKXYGZZYBWEBTH-XZUYRWCXSA-N 2 0 253.346 -0.439 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C2=CCC[NH2+]CC2)CCO1 ZINC000911884046 657156763 /nfs/dbraw/zinc/15/67/63/657156763.db2.gz OZZBNZSYALAEMZ-PWSUYJOCSA-N 2 0 253.346 -0.129 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911939787 657170702 /nfs/dbraw/zinc/17/07/02/657170702.db2.gz ZYMSDOUBYZWNPZ-ZDUSSCGKSA-N 2 0 269.389 -0.004 20 0 CBADRP [NH3+]CCNCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000912029627 657183960 /nfs/dbraw/zinc/18/39/60/657183960.db2.gz PZFYMGQFIWDOSW-UHFFFAOYSA-N 2 0 298.431 -0.314 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000912030683 657184259 /nfs/dbraw/zinc/18/42/59/657184259.db2.gz XEXNDPLSMUOUBT-ZDUSSCGKSA-N 2 0 299.415 -0.153 20 0 CBADRP CN(CC[N@H+](C)CCO)C(=O)C1([NH+](C)C)CCC1 ZINC000912604947 657294659 /nfs/dbraw/zinc/29/46/59/657294659.db2.gz XRBQICWMGTUSRC-UHFFFAOYSA-N 2 0 257.378 -0.147 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC[N@H+](C)CCO ZINC000912608758 657297278 /nfs/dbraw/zinc/29/72/78/657297278.db2.gz WTLDMXYGEMKLTD-ZDUSSCGKSA-N 2 0 287.404 -0.663 20 0 CBADRP CN(CC[N@H+](C)CCO)C(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000912612216 657300312 /nfs/dbraw/zinc/30/03/12/657300312.db2.gz KPBYQRZYQMWXCM-AWEZNQCLSA-N 2 0 287.404 -0.784 20 0 CBADRP CN1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H](CO)C1 ZINC000912735633 657318156 /nfs/dbraw/zinc/31/81/56/657318156.db2.gz CCNJTMYHAKPKBY-LLVKDONJSA-N 2 0 255.362 -0.537 20 0 CBADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@H+](CCO)C2)n1 ZINC001014463064 657361868 /nfs/dbraw/zinc/36/18/68/657361868.db2.gz TVKOEOKCFIZBSB-GFCCVEGCSA-N 2 0 295.387 -0.759 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CCO)C2)CC[N@@H+]1C ZINC001014484116 657363068 /nfs/dbraw/zinc/36/30/68/657363068.db2.gz OWFXBBUCJTWOFY-IJLUTSLNSA-N 2 0 255.362 -0.491 20 0 CBADRP O=C(CNc1ccccn1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000913171057 657391727 /nfs/dbraw/zinc/39/17/27/657391727.db2.gz CUPOWEIGYDCTCE-LLVKDONJSA-N 2 0 264.329 -0.324 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001015704643 657525116 /nfs/dbraw/zinc/52/51/16/657525116.db2.gz BODONGNKNHZNQB-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP O=C(NC12CC[NH+](CC1)C2)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000913635888 657573305 /nfs/dbraw/zinc/57/33/05/657573305.db2.gz RSVJFFLPDILUPW-NEPJUHHUSA-N 2 0 265.357 -0.186 20 0 CBADRP C[C@@H](C(=O)N1CCC(O)(C[NH+](C)C)CC1)[NH+](C)C ZINC000913676061 657581574 /nfs/dbraw/zinc/58/15/74/657581574.db2.gz LFEQTIHIVZUZAA-NSHDSACASA-N 2 0 257.378 -0.148 20 0 CBADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001015900798 657600316 /nfs/dbraw/zinc/60/03/16/657600316.db2.gz VKZVOZSTBDJRDY-CYBMUJFWSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000913759589 657604026 /nfs/dbraw/zinc/60/40/26/657604026.db2.gz QHPWTGFPTKIBRF-OSFYFWSMSA-N 2 0 281.400 -0.006 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](CCO)C2)C1 ZINC001015997670 657628010 /nfs/dbraw/zinc/62/80/10/657628010.db2.gz FRXVQVASELTKPX-VXGBXAGGSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016004495 657631407 /nfs/dbraw/zinc/63/14/07/657631407.db2.gz XYOLBWXPZXXQMH-NEPJUHHUSA-N 2 0 267.373 -0.347 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC23CC[NH+](CCO)CC3)C1 ZINC001016968819 657743243 /nfs/dbraw/zinc/74/32/43/657743243.db2.gz HSISBEPJELFIPK-OLZOCXBDSA-N 2 0 281.400 -0.099 20 0 CBADRP NC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001016973026 657743454 /nfs/dbraw/zinc/74/34/54/657743454.db2.gz AOTRBSHSLFUIGT-GFCCVEGCSA-N 2 0 294.399 -0.462 20 0 CBADRP CCN1CCO[C@@H](CNC(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000919128295 657844557 /nfs/dbraw/zinc/84/45/57/657844557.db2.gz WAWNUXOQHNKLFV-NEPJUHHUSA-N 2 0 270.377 -0.290 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001018872882 657851207 /nfs/dbraw/zinc/85/12/07/657851207.db2.gz KKKXHYQQOAOZDK-SDDRHHMPSA-N 2 0 282.388 -0.608 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018938143 657854042 /nfs/dbraw/zinc/85/40/42/657854042.db2.gz BLXOXUKZFSKYBI-NWDGAFQWSA-N 2 0 282.388 -0.463 20 0 CBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001018961352 657854922 /nfs/dbraw/zinc/85/49/22/657854922.db2.gz AHZPODLVPPATCD-OLZOCXBDSA-N 2 0 296.415 -0.360 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000919635177 657855547 /nfs/dbraw/zinc/85/55/47/657855547.db2.gz NDFDIAWRBHGGDY-NWDGAFQWSA-N 2 0 270.377 -0.290 20 0 CBADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)C(N)=O ZINC001018971568 657855678 /nfs/dbraw/zinc/85/56/78/657855678.db2.gz HTRBUNFFBFXGMD-AAEUAGOBSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001019032194 657859433 /nfs/dbraw/zinc/85/94/33/657859433.db2.gz LANRRYMPFWGQQT-GARJFASQSA-N 2 0 270.377 -0.609 20 0 CBADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001019241582 657875909 /nfs/dbraw/zinc/87/59/09/657875909.db2.gz LIGJZSKVLHHIQZ-QJPTWQEYSA-N 2 0 282.388 -0.465 20 0 CBADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC001019339221 657885731 /nfs/dbraw/zinc/88/57/31/657885731.db2.gz VUEPKXXTDFNNLN-GRYCIOLGSA-N 2 0 284.404 -0.363 20 0 CBADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001019326097 657886321 /nfs/dbraw/zinc/88/63/21/657886321.db2.gz AUOXGHLPIXUNSP-QWHCGFSZSA-N 2 0 296.415 -0.217 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001019386125 657890955 /nfs/dbraw/zinc/89/09/55/657890955.db2.gz DBVCGTVJDZRTLB-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)C1)[NH+](C)C ZINC001019397333 657893256 /nfs/dbraw/zinc/89/32/56/657893256.db2.gz UVYGIGALZHNAEE-AAEUAGOBSA-N 2 0 294.403 -0.154 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019780125 657941385 /nfs/dbraw/zinc/94/13/85/657941385.db2.gz KCZKASPVELXYSB-STQMWFEESA-N 2 0 285.388 -0.863 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001019771541 657939653 /nfs/dbraw/zinc/93/96/53/657939653.db2.gz RMZVBROKJHZKBX-OLZOCXBDSA-N 2 0 294.399 -0.639 20 0 CBADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001019823843 657949495 /nfs/dbraw/zinc/94/94/95/657949495.db2.gz WYGYIZCJXOOEAW-JSGCOSHPSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001020172341 658021128 /nfs/dbraw/zinc/02/11/28/658021128.db2.gz YSEJVGDHNKJFRR-FPYNETTCSA-N 2 0 269.389 -0.056 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(N)=O ZINC001020171195 658021935 /nfs/dbraw/zinc/02/19/35/658021935.db2.gz RLFCDRZKYGTHGM-KZZRWZIVSA-N 2 0 282.388 -0.563 20 0 CBADRP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001020162410 658022762 /nfs/dbraw/zinc/02/27/62/658022762.db2.gz FLTZPZQFCVCNPJ-JHJVBQTASA-N 2 0 267.373 -0.443 20 0 CBADRP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001020178874 658025112 /nfs/dbraw/zinc/02/51/12/658025112.db2.gz HQMVDZHXBSNZFF-ZDEQEGDKSA-N 2 0 283.372 -0.921 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001020214418 658025922 /nfs/dbraw/zinc/02/59/22/658025922.db2.gz SNNYANZNADZLNS-FDYHWXHSSA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)C(N)=O ZINC001020349139 658042090 /nfs/dbraw/zinc/04/20/90/658042090.db2.gz YONNVGAWLRFKBH-SRVKXCTJSA-N 2 0 294.399 -0.275 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)C(N)=O ZINC001020463094 658053509 /nfs/dbraw/zinc/05/35/09/658053509.db2.gz VEYKLWJFEUETCN-SRVKXCTJSA-N 2 0 296.415 -0.029 20 0 CBADRP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001020464030 658054038 /nfs/dbraw/zinc/05/40/38/658054038.db2.gz UYVAQTOYGJAWLV-XYPYZODXSA-N 2 0 282.388 -0.417 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001020541989 658071806 /nfs/dbraw/zinc/07/18/06/658071806.db2.gz VELBDMSCVWMLFE-XYPYZODXSA-N 2 0 268.361 -0.950 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001020541537 658071817 /nfs/dbraw/zinc/07/18/17/658071817.db2.gz BNVMGJUFJREBBY-RAIGVLPGSA-N 2 0 269.389 -0.054 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001020541725 658072098 /nfs/dbraw/zinc/07/20/98/658072098.db2.gz LUFUIQCOCXPVOM-YUSALJHKSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1)C(N)=O ZINC001020589072 658075222 /nfs/dbraw/zinc/07/52/22/658075222.db2.gz WFBQWJIXQBHJQS-DDHJBXDOSA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020587692 658076053 /nfs/dbraw/zinc/07/60/53/658076053.db2.gz QRLOIWRGLKNLGF-SRVKXCTJSA-N 2 0 255.362 -0.300 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001020927676 658116728 /nfs/dbraw/zinc/11/67/28/658116728.db2.gz OBJMAIPRRJPRPR-ZDEQEGDKSA-N 2 0 294.399 -0.547 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001020935681 658117989 /nfs/dbraw/zinc/11/79/89/658117989.db2.gz JZFDKJQYFRSOCW-SRVKXCTJSA-N 2 0 294.399 -0.417 20 0 CBADRP O=C(N[C@@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001020934084 658118535 /nfs/dbraw/zinc/11/85/35/658118535.db2.gz NTKOCYJYSVEYIM-SRVKXCTJSA-N 2 0 292.383 -0.793 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001020932448 658119709 /nfs/dbraw/zinc/11/97/09/658119709.db2.gz IIBMTBMNKPQHOV-DCAQKATOSA-N 2 0 280.372 -0.807 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001020929283 658120446 /nfs/dbraw/zinc/12/04/46/658120446.db2.gz VYCJSWIYMWPGRM-YVECIDJPSA-N 2 0 269.389 -0.054 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001021047604 658134408 /nfs/dbraw/zinc/13/44/08/658134408.db2.gz JCNCGSLAIMMCNO-DDHJBXDOSA-N 2 0 280.372 -0.937 20 0 CBADRP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001021047808 658134807 /nfs/dbraw/zinc/13/48/07/658134807.db2.gz OXUSBRVINFWDQI-IJLUTSLNSA-N 2 0 292.387 -0.496 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001021047458 658135056 /nfs/dbraw/zinc/13/50/56/658135056.db2.gz DPZISFOFMXPMKM-CYDGBPFRSA-N 2 0 294.399 -0.547 20 0 CBADRP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001021047809 658139573 /nfs/dbraw/zinc/13/95/73/658139573.db2.gz OXUSBRVINFWDQI-SRVKXCTJSA-N 2 0 292.387 -0.496 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001021051795 658139759 /nfs/dbraw/zinc/13/97/59/658139759.db2.gz PLMQKUHIOMIGCM-IJLUTSLNSA-N 2 0 280.372 -0.793 20 0 CBADRP Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001021052018 658143097 /nfs/dbraw/zinc/14/30/97/658143097.db2.gz WUUYGAWVXAAOQE-HAQNSBGRSA-N 2 0 292.387 -0.352 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001021094342 658150627 /nfs/dbraw/zinc/15/06/27/658150627.db2.gz OBEZOPXPIHQYGN-FDYHWXHSSA-N 2 0 296.415 -0.029 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN[C@](C)(C[NH3+])C1CC1 ZINC000923295796 658194654 /nfs/dbraw/zinc/19/46/54/658194654.db2.gz HPHFNRNUZVUQPH-QWHCGFSZSA-N 2 0 259.394 -0.358 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923279861 658188394 /nfs/dbraw/zinc/18/83/94/658188394.db2.gz CKVXPPFFOCGNNK-STQMWFEESA-N 2 0 295.387 -0.969 20 0 CBADRP CCOCC[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000923280427 658188973 /nfs/dbraw/zinc/18/89/73/658188973.db2.gz GIVFXTASJIWAHM-CHWSQXEVSA-N 2 0 287.404 -0.439 20 0 CBADRP CNC(=O)[C@H](C)C[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923314247 658202361 /nfs/dbraw/zinc/20/23/61/658202361.db2.gz FFKMCVAMSMLQTG-GHMZBOCLSA-N 2 0 255.362 -0.321 20 0 CBADRP O=C1NCCN1[C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923309159 658203985 /nfs/dbraw/zinc/20/39/85/658203985.db2.gz SUNWDJRPLNLFCJ-CHWSQXEVSA-N 2 0 294.399 -0.146 20 0 CBADRP O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923313956 658204668 /nfs/dbraw/zinc/20/46/68/658204668.db2.gz NSTMYGWKUGWGAE-GRYCIOLGSA-N 2 0 265.357 -0.282 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]12 ZINC000923333116 658215756 /nfs/dbraw/zinc/21/57/56/658215756.db2.gz OUBZTHVFRJNKEI-MROQNXINSA-N 2 0 250.346 -0.087 20 0 CBADRP CN1CC(=O)N(CC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1=O ZINC000923334730 658220078 /nfs/dbraw/zinc/22/00/78/658220078.db2.gz XZABDAMQMGMUOM-HBNTYKKESA-N 2 0 266.345 -0.451 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@@H](F)C[C@H]1C[NH3+] ZINC000923342691 658220699 /nfs/dbraw/zinc/22/06/99/658220699.db2.gz GCAXTLFPKQSJGA-SRVKXCTJSA-N 2 0 263.357 -0.703 20 0 CBADRP CN1CC(=O)N(CC[N@@H+]2CCC[C@H](CC[NH3+])C2)C1=O ZINC000923348245 658222054 /nfs/dbraw/zinc/22/20/54/658222054.db2.gz DPUUSOUMRPCLDO-LLVKDONJSA-N 2 0 268.361 -0.059 20 0 CBADRP Cc1ccccc1CN(C)C(=O)CNC(C[NH3+])C[NH3+] ZINC000923350548 658222390 /nfs/dbraw/zinc/22/23/90/658222390.db2.gz BTSUZUPROIQOLI-UHFFFAOYSA-N 2 0 264.373 -0.171 20 0 CBADRP C[C@H](NC(C[NH3+])C[NH3+])C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000923350514 658222529 /nfs/dbraw/zinc/22/25/29/658222529.db2.gz AUXYVKLYASEWMJ-AXFHLTTASA-N 2 0 256.394 -0.245 20 0 CBADRP Cn1c2cc(CNC(C[NH3+])C[NH3+])ccc2oc1=O ZINC000923356895 658228821 /nfs/dbraw/zinc/22/88/21/658228821.db2.gz QFUSZBIACNJLKF-UHFFFAOYSA-N 2 0 250.302 -0.493 20 0 CBADRP CCOCC[C@@H](O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923367636 658234485 /nfs/dbraw/zinc/23/44/85/658234485.db2.gz VUPYBLJLIJMZHC-UONOGXRCSA-N 2 0 271.405 -0.247 20 0 CBADRP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000923366867 658235406 /nfs/dbraw/zinc/23/54/06/658235406.db2.gz PNTLBARECPOOHL-CABCVRRESA-N 2 0 285.432 -0.001 20 0 CBADRP CCOCC[C@@H](O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000923367637 658236011 /nfs/dbraw/zinc/23/60/11/658236011.db2.gz VUPYBLJLIJMZHC-ZIAGYGMSSA-N 2 0 271.405 -0.247 20 0 CBADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000923370738 658238583 /nfs/dbraw/zinc/23/85/83/658238583.db2.gz QRRSXARRVXZQQJ-NWDGAFQWSA-N 2 0 260.378 -0.012 20 0 CBADRP CCN1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1=O ZINC000923373597 658239188 /nfs/dbraw/zinc/23/91/88/658239188.db2.gz QLIVGYFVQTXTNV-LBPRGKRZSA-N 2 0 267.373 -0.081 20 0 CBADRP COCCOC[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000923370741 658240427 /nfs/dbraw/zinc/24/04/27/658240427.db2.gz QRRSXARRVXZQQJ-VXGBXAGGSA-N 2 0 260.378 -0.012 20 0 CBADRP COCCOC[C@@H](O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000923370739 658241510 /nfs/dbraw/zinc/24/15/10/658241510.db2.gz QRRSXARRVXZQQJ-RYUDHWBXSA-N 2 0 260.378 -0.012 20 0 CBADRP CNC(=O)CCC[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923371729 658243308 /nfs/dbraw/zinc/24/33/08/658243308.db2.gz SSRMCARMMGDSAI-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP CN1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCC1=O ZINC000923386715 658248595 /nfs/dbraw/zinc/24/85/95/658248595.db2.gz AMAUGLRBMTXDOP-NSHDSACASA-N 2 0 253.346 -0.471 20 0 CBADRP [NH3+]CCN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H](O)CO ZINC000923386560 658250712 /nfs/dbraw/zinc/25/07/12/658250712.db2.gz HHTHGWNUYZEXNT-WTUNAVPPSA-N 2 0 271.405 -0.479 20 0 CBADRP CN(C)C(=O)N(C)[C@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923395654 658252513 /nfs/dbraw/zinc/25/25/13/658252513.db2.gz UUMBOBCYLUPECA-BJDJZHNGSA-N 2 0 270.377 -0.475 20 0 CBADRP C([C@H]1CCC[NH2+]1)N1CC[NH2+]CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000923394678 658253344 /nfs/dbraw/zinc/25/33/44/658253344.db2.gz KSEWFXRSRGZNKW-HZPDHXFCSA-N 3 0 295.475 -0.302 20 0 CBADRP O=C1OCCN1[C@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923392403 658254531 /nfs/dbraw/zinc/25/45/31/658254531.db2.gz RIPIOIYHROMDIA-RYUDHWBXSA-N 2 0 281.356 -0.109 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN[C@H]1CC[NH2+]C12CCC2 ZINC000923399389 658256084 /nfs/dbraw/zinc/25/60/84/658256084.db2.gz PCFXOSJJSJSYRX-STQMWFEESA-N 2 0 271.405 -0.200 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000923416033 658270884 /nfs/dbraw/zinc/27/08/84/658270884.db2.gz KEWFKWPFAMRICR-MJBXVCDLSA-N 2 0 271.405 -0.248 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H](O)Cn1cccn1)C2 ZINC000923428756 658273966 /nfs/dbraw/zinc/27/39/66/658273966.db2.gz ZFVSNYAIVYGZPA-YNEHKIRRSA-N 2 0 250.346 -0.215 20 0 CBADRP CC[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000923432196 658276088 /nfs/dbraw/zinc/27/60/88/658276088.db2.gz XIFSBVBZDQGXOQ-SCRDCRAPSA-N 2 0 269.389 -0.006 20 0 CBADRP COC[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000923431352 658278224 /nfs/dbraw/zinc/27/82/24/658278224.db2.gz POEMEJUUKJQJOA-QLFBSQMISA-N 2 0 283.416 -0.106 20 0 CBADRP C[C@H](c1nnnn1C1CC1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923460792 658294164 /nfs/dbraw/zinc/29/41/64/658294164.db2.gz VTZDEYZDLSQWTL-SNVBAGLBSA-N 2 0 265.365 -0.436 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923472899 658296119 /nfs/dbraw/zinc/29/61/19/658296119.db2.gz JUGGVSUHAUTITM-AAEUAGOBSA-N 2 0 255.362 -0.850 20 0 CBADRP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](CC[NH3+])C2)C1 ZINC000923493125 658307244 /nfs/dbraw/zinc/30/72/44/658307244.db2.gz RIQXVMVFYLAAKY-UONOGXRCSA-N 2 0 296.415 -0.216 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923500241 658307406 /nfs/dbraw/zinc/30/74/06/658307406.db2.gz VWVWVCANGSITGL-VHSXEESVSA-N 2 0 256.350 -0.251 20 0 CBADRP C[C@@H]1C[N@H+](CCN2C(=O)CN(C)C2=O)CC[C@H]1C[NH3+] ZINC000923494603 658308056 /nfs/dbraw/zinc/30/80/56/658308056.db2.gz ZASSGMXTZAJSHV-MNOVXSKESA-N 2 0 268.361 -0.203 20 0 CBADRP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923491494 658308548 /nfs/dbraw/zinc/30/85/48/658308548.db2.gz IERXAUYEFCFYLF-MJBXVCDLSA-N 2 0 273.421 -0.158 20 0 CBADRP CCS(=O)(=O)NCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495560 658308693 /nfs/dbraw/zinc/30/86/93/658308693.db2.gz CHXIGJRBVJXYLO-GHMZBOCLSA-N 2 0 263.407 -0.158 20 0 CBADRP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](CC[NH3+])C2)C1 ZINC000923493124 658308742 /nfs/dbraw/zinc/30/87/42/658308742.db2.gz RIQXVMVFYLAAKY-KGLIPLIRSA-N 2 0 296.415 -0.216 20 0 CBADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923502932 658310038 /nfs/dbraw/zinc/31/00/38/658310038.db2.gz FCULKTXZZHEACX-LPEHRKFASA-N 2 0 256.350 -0.253 20 0 CBADRP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)C(=O)N(C)C ZINC000923500982 658312112 /nfs/dbraw/zinc/31/21/12/658312112.db2.gz SWDOKLXOGPFPSO-SDDRHHMPSA-N 2 0 284.404 -0.504 20 0 CBADRP O[C@H](Cn1cccn1)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516532 658313095 /nfs/dbraw/zinc/31/30/95/658313095.db2.gz JDGXOEWZVVAKPY-XQQFMLRXSA-N 2 0 250.346 -0.215 20 0 CBADRP O=C(CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CC[NH2+]CC1 ZINC000923516421 658312788 /nfs/dbraw/zinc/31/27/88/658312788.db2.gz DLWIMWGBMJXVEJ-QWHCGFSZSA-N 3 0 266.389 -0.650 20 0 CBADRP [NH3+]C[C@H](NS(=O)(=O)C1C[NH2+]C1)C1CCCCC1 ZINC000923569857 658331380 /nfs/dbraw/zinc/33/13/80/658331380.db2.gz QPBGDEUWNYZXEB-NSHDSACASA-N 2 0 261.391 -0.215 20 0 CBADRP C[C@@H](NS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000923568175 658331508 /nfs/dbraw/zinc/33/15/08/658331508.db2.gz WHQMNIZCDCEOHI-GHMZBOCLSA-N 2 0 276.406 -0.886 20 0 CBADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923573858 658336948 /nfs/dbraw/zinc/33/69/48/658336948.db2.gz QSPHWLCOQOMKBJ-GRYCIOLGSA-N 2 0 273.402 -0.106 20 0 CBADRP C[C@@H](CNS(=O)(=O)C1C[NH2+]C1)[N@@H+]1CCC[C@H](C)C1 ZINC000923589854 658340404 /nfs/dbraw/zinc/34/04/04/658340404.db2.gz MTCXKONPWYDWTQ-QWRGUYRKSA-N 2 0 275.418 -0.002 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000923596819 658345397 /nfs/dbraw/zinc/34/53/97/658345397.db2.gz AJNJXSGCKMBFCI-NSHDSACASA-N 2 0 273.402 -0.152 20 0 CBADRP O=S(=O)(C1C[NH2+]C1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000923646350 658372658 /nfs/dbraw/zinc/37/26/58/658372658.db2.gz QNYPGFWBSUYZCZ-WDEREUQCSA-N 2 0 273.402 -0.391 20 0 CBADRP C[C@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000923647578 658374397 /nfs/dbraw/zinc/37/43/97/658374397.db2.gz NDDBNTQEPNFLOG-QWRGUYRKSA-N 2 0 276.406 -0.947 20 0 CBADRP CC(C)C[N@H+](C)CCCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923651439 658374928 /nfs/dbraw/zinc/37/49/28/658374928.db2.gz DMGVXULKXCMPFM-UHFFFAOYSA-N 2 0 292.449 -0.296 20 0 CBADRP CCO[C@@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000923651930 658376918 /nfs/dbraw/zinc/37/69/18/658376918.db2.gz ITTKXXGGIGCWBC-GRYCIOLGSA-N 2 0 291.417 -0.636 20 0 CBADRP O=S(=O)(NC[C@@H]1CCC[N@H+](CC2CC2)C1)C1C[NH2+]C1 ZINC000923658753 658382560 /nfs/dbraw/zinc/38/25/60/658382560.db2.gz INMNPDDWNKBJOZ-LBPRGKRZSA-N 2 0 287.429 0.000 20 0 CBADRP O=S(=O)(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[NH2+]C1 ZINC000923659699 658384509 /nfs/dbraw/zinc/38/45/09/658384509.db2.gz LHZVKFOLSLMCGM-MNOVXSKESA-N 2 0 273.402 -0.058 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923660127 658385065 /nfs/dbraw/zinc/38/50/65/658385065.db2.gz RGVRAHVNKIVJAS-VXGBXAGGSA-N 2 0 275.418 -0.002 20 0 CBADRP CO[C@@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)[C@](C)(C[NH3+])C1 ZINC000923661306 658385145 /nfs/dbraw/zinc/38/51/45/658385145.db2.gz DKLDLLRRQDPTIL-SRVKXCTJSA-N 2 0 291.417 -0.494 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923660125 658386272 /nfs/dbraw/zinc/38/62/72/658386272.db2.gz RGVRAHVNKIVJAS-NWDGAFQWSA-N 2 0 275.418 -0.002 20 0 CBADRP O=S(=O)([C@H]1CCC[NH2+]C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923691713 658400747 /nfs/dbraw/zinc/40/07/47/658400747.db2.gz IQGNWASYXPVRKN-SDDRHHMPSA-N 2 0 273.402 -0.248 20 0 CBADRP [NH3+][C@@H]1CC[C@H](CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000923741028 658432578 /nfs/dbraw/zinc/43/25/78/658432578.db2.gz SYMSCOSSQMBTFB-AXFHLTTASA-N 2 0 277.390 -0.978 20 0 CBADRP CC[NH+]1CCC(N2C(=O)N[C@@H](C[NH+](C)C)C2=O)CC1 ZINC000924442319 658600147 /nfs/dbraw/zinc/60/01/47/658600147.db2.gz ZLOJPXKTSLRLBO-NSHDSACASA-N 2 0 268.361 -0.047 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924576987 658615428 /nfs/dbraw/zinc/61/54/28/658615428.db2.gz CVENZYLKGYKUHK-RYUDHWBXSA-N 2 0 298.387 -0.421 20 0 CBADRP COCC[N@@H+]1CC[C@H](N2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000924598440 658622185 /nfs/dbraw/zinc/62/21/85/658622185.db2.gz DFGKXOSOPCLKAS-WDEREUQCSA-N 2 0 284.360 -0.811 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958591003 658667835 /nfs/dbraw/zinc/66/78/35/658667835.db2.gz DYQAVZPXAVXBTA-KGLIPLIRSA-N 2 0 293.411 -0.099 20 0 CBADRP O=C(NC[C@H]1C[N@@H+](CCCF)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958591798 658670527 /nfs/dbraw/zinc/67/05/27/658670527.db2.gz JALSZSWGSVIKIM-STQMWFEESA-N 2 0 299.390 -0.149 20 0 CBADRP C[NH+](C)CCn1nccc1C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1C ZINC000924979126 658684570 /nfs/dbraw/zinc/68/45/70/658684570.db2.gz MBZGAIOYCPKPBO-RYUDHWBXSA-N 2 0 295.387 -0.761 20 0 CBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2C)n1 ZINC000924979110 658686516 /nfs/dbraw/zinc/68/65/16/658686516.db2.gz LZEIPODIEFEKET-RYUDHWBXSA-N 2 0 295.387 -0.761 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000924996204 658712101 /nfs/dbraw/zinc/71/21/01/658712101.db2.gz QDLASXDUSHIMNJ-OLZOCXBDSA-N 2 0 299.415 -0.474 20 0 CBADRP CCO[C@@H](CN1C(=O)N[C@@H](C[NH+](C)C)C1=O)C[NH+](C)C ZINC000925235625 658813553 /nfs/dbraw/zinc/81/35/53/658813553.db2.gz MTAQHEVJRLXLJX-MNOVXSKESA-N 2 0 286.376 -0.565 20 0 CBADRP C[NH+](C)C[C@H]1NC(=O)N(C[C@@H]2CCC[N@@H+]2C)C1=O ZINC000925288044 658815204 /nfs/dbraw/zinc/81/52/04/658815204.db2.gz BGUPODHBWRYEON-VHSXEESVSA-N 2 0 254.334 -0.437 20 0 CBADRP C[C@H]1[C@@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@@H+]1C ZINC000925346773 658832997 /nfs/dbraw/zinc/83/29/97/658832997.db2.gz VTQBGVDFIAZQQN-SRVKXCTJSA-N 2 0 270.377 -0.555 20 0 CBADRP CCC[N@@H+]1CC[C@@H](N2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000925359966 658835274 /nfs/dbraw/zinc/83/52/74/658835274.db2.gz SEKMPUDZZPJCPC-GHMZBOCLSA-N 2 0 268.361 -0.047 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925412730 658841469 /nfs/dbraw/zinc/84/14/69/658841469.db2.gz XMOWSMHIXYREBW-CYBMUJFWSA-N 3 0 285.436 -0.175 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962294813 658850658 /nfs/dbraw/zinc/85/06/58/658850658.db2.gz DYADVNLAXLTJJW-NDBYEHHHSA-N 2 0 279.384 -0.491 20 0 CBADRP C[NH+](C)CCN1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)CC1=O ZINC000925431035 658851065 /nfs/dbraw/zinc/85/10/65/658851065.db2.gz RWGWFFARUPFRBN-GFCCVEGCSA-N 2 0 297.403 -0.894 20 0 CBADRP CCO[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C)C[NH+](C)C ZINC000925431137 658852437 /nfs/dbraw/zinc/85/24/37/658852437.db2.gz COOHIFXVRCSFSA-NWDGAFQWSA-N 2 0 272.393 -0.044 20 0 CBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925433824 658853747 /nfs/dbraw/zinc/85/37/47/658853747.db2.gz XMOZAUYMGNZQSK-VXGBXAGGSA-N 2 0 297.403 -0.548 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925513566 658856245 /nfs/dbraw/zinc/85/62/45/658856245.db2.gz KBPZBPGJCIRRHH-UONOGXRCSA-N 2 0 271.405 -0.079 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000962565658 658856799 /nfs/dbraw/zinc/85/67/99/658856799.db2.gz JIGNRTCEOQTCMK-IMRBUKKESA-N 2 0 267.373 -0.489 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CN[C@@H]1C[NH2+]CCOC1 ZINC000925542836 658857792 /nfs/dbraw/zinc/85/77/92/658857792.db2.gz QSURWYMEJCJZDR-CHWSQXEVSA-N 2 0 259.394 -0.079 20 0 CBADRP CC(=O)N1CCN(CCN[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925549665 658859604 /nfs/dbraw/zinc/85/96/04/658859604.db2.gz ZCVZXIGTGWDESY-OCCSQVGLSA-N 2 0 268.405 -0.119 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCN[C@H]1C[NH2+]CCOC1 ZINC000925554955 658859685 /nfs/dbraw/zinc/85/96/85/658859685.db2.gz BXAPLIDFFCMYKN-KBPBESRZSA-N 2 0 298.431 -0.493 20 0 CBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCN[C@@H]1C[NH2+]CCOC1 ZINC000925554958 658859786 /nfs/dbraw/zinc/85/97/86/658859786.db2.gz BXAPLIDFFCMYKN-ZIAGYGMSSA-N 2 0 298.431 -0.493 20 0 CBADRP CC(=O)N1CCN(CCN[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925549663 658860006 /nfs/dbraw/zinc/86/00/06/658860006.db2.gz ZCVZXIGTGWDESY-JSGCOSHPSA-N 2 0 268.405 -0.119 20 0 CBADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925620706 658863169 /nfs/dbraw/zinc/86/31/69/658863169.db2.gz XMWULGCPIPCDTF-QLFBSQMISA-N 2 0 283.416 -0.058 20 0 CBADRP C(CN1CC[NH2+]CC1)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925687727 658866186 /nfs/dbraw/zinc/86/61/86/658866186.db2.gz AHZLDBKYLMFVFL-YHQUGGNUSA-N 2 0 250.390 -0.522 20 0 CBADRP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2[C@@H]3COC[C@H]2C[C@H]([NH3+])C3)C1 ZINC000925717198 658867273 /nfs/dbraw/zinc/86/72/73/658867273.db2.gz ALXRXRWBBIATSB-FPRGPCMUSA-N 2 0 253.346 -0.408 20 0 CBADRP CNS(=O)(=O)CCC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925725395 658867801 /nfs/dbraw/zinc/86/78/01/658867801.db2.gz KJKQYNSCKVPQRX-BKUVIOGVSA-N 2 0 291.417 -0.732 20 0 CBADRP CNS(=O)(=O)CCC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925725397 658868175 /nfs/dbraw/zinc/86/81/75/658868175.db2.gz KJKQYNSCKVPQRX-CDECOKDKSA-N 2 0 291.417 -0.732 20 0 CBADRP O[C@H]1CC[N@H+](CCN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925725436 658868544 /nfs/dbraw/zinc/86/85/44/658868544.db2.gz TZYVLVIKNFDFLI-SNIKSBKOSA-N 2 0 251.374 -0.361 20 0 CBADRP NC(=O)C1CC([NH2+][C@H]2[C@@H]3COC[C@H]2C[C@@H]([NH3+])C3)C1 ZINC000925726918 658868766 /nfs/dbraw/zinc/86/87/66/658868766.db2.gz ALXRXRWBBIATSB-NLPVSJDHSA-N 2 0 253.346 -0.408 20 0 CBADRP c1cc(CN[C@@H]2C[NH2+]CCOC2)c(O[C@H]2CC[NH2+]C2)cn1 ZINC000925729034 658868916 /nfs/dbraw/zinc/86/89/16/658868916.db2.gz OGPLEKPNICQSFX-KGLIPLIRSA-N 2 0 292.383 -0.100 20 0 CBADRP O=C1NCCN1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000925777585 658870549 /nfs/dbraw/zinc/87/05/49/658870549.db2.gz OSGBNJVPDXYRGX-GRYCIOLGSA-N 2 0 252.362 -0.011 20 0 CBADRP C(C[N@@H+]1CCC[C@H](N[C@H]2CC[NH2+]C2)C1)N1CCOCC1 ZINC000925769667 658870741 /nfs/dbraw/zinc/87/07/41/658870741.db2.gz QJASUQXOMGYIOX-GJZGRUSLSA-N 2 0 282.432 -0.266 20 0 CBADRP C(C[N@@H+]1CCC[C@@H](N[C@H]2CC[NH2+]C2)C1)N1CCOCC1 ZINC000925769670 658870846 /nfs/dbraw/zinc/87/08/46/658870846.db2.gz QJASUQXOMGYIOX-LSDHHAIUSA-N 2 0 282.432 -0.266 20 0 CBADRP C[C@H](C[C@H]1COCCN1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816763 658873335 /nfs/dbraw/zinc/87/33/35/658873335.db2.gz IJOKRWOCBPRWBN-OCCSQVGLSA-N 2 0 270.421 -0.234 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)CC[C@H]1C[NH3+] ZINC000926295079 658890832 /nfs/dbraw/zinc/89/08/32/658890832.db2.gz YOBHYPCNJNFGPN-RYUDHWBXSA-N 2 0 284.404 -0.550 20 0 CBADRP C[NH+](C)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000926329975 658892861 /nfs/dbraw/zinc/89/28/61/658892861.db2.gz JCCNQZOTCFHICY-RWMBFGLXSA-N 2 0 294.399 -0.641 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000926326679 658893195 /nfs/dbraw/zinc/89/31/95/658893195.db2.gz SPDQKTBMSOQHGZ-QWHCGFSZSA-N 2 0 296.415 -0.264 20 0 CBADRP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926334934 658893343 /nfs/dbraw/zinc/89/33/43/658893343.db2.gz WEFBZEFOFDBLNP-QWHCGFSZSA-N 2 0 296.415 -0.406 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926361904 658896696 /nfs/dbraw/zinc/89/66/96/658896696.db2.gz LFJJGAJGNLJOQD-ZDUSSCGKSA-N 2 0 298.431 -0.018 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926384046 658897336 /nfs/dbraw/zinc/89/73/36/658897336.db2.gz YRSWSCMHEBCLIU-OLZOCXBDSA-N 2 0 296.415 -0.264 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC000969124723 658951296 /nfs/dbraw/zinc/95/12/96/658951296.db2.gz KXQGPECVCWUTTF-GHMZBOCLSA-N 2 0 291.355 -0.879 20 0 CBADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](CCCO)C1 ZINC000969409346 658987960 /nfs/dbraw/zinc/98/79/60/658987960.db2.gz ASQIAABGUFLRDV-DGCLKSJQSA-N 2 0 269.389 -0.101 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000969458747 658991200 /nfs/dbraw/zinc/99/12/00/658991200.db2.gz YERQOJJCHWMYSG-OCCSQVGLSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1C[NH+](CCO)C1 ZINC000969677187 659011081 /nfs/dbraw/zinc/01/10/81/659011081.db2.gz NNPAQACIRJYPNJ-BXUZGUMPSA-N 2 0 281.400 -0.243 20 0 CBADRP C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000969813628 659020257 /nfs/dbraw/zinc/02/02/57/659020257.db2.gz CADJKRCMNBPMBT-WCQYABFASA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969948339 659025007 /nfs/dbraw/zinc/02/50/07/659025007.db2.gz KAPOTSCCTSQRFI-NWDGAFQWSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000969954163 659025356 /nfs/dbraw/zinc/02/53/56/659025356.db2.gz ANMTZCPELHPEKJ-GHMZBOCLSA-N 2 0 268.361 -0.996 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000969967422 659027128 /nfs/dbraw/zinc/02/71/28/659027128.db2.gz DBVCGTVJDZRTLB-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+](CCO)C1 ZINC000969968404 659027709 /nfs/dbraw/zinc/02/77/09/659027709.db2.gz ITQPJKBACNFLPY-AAEUAGOBSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+]1CC[C@H]1CNC(=O)CCCC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928564788 659045951 /nfs/dbraw/zinc/04/59/51/659045951.db2.gz ZARBUJJQWXWYDA-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC000970489877 659059543 /nfs/dbraw/zinc/05/95/43/659059543.db2.gz HQNCMHWALFYHFK-WDEREUQCSA-N 2 0 280.372 -0.854 20 0 CBADRP O=C(N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC000970490379 659060502 /nfs/dbraw/zinc/06/05/02/659060502.db2.gz QKAVQZHFWJLIMJ-VXGBXAGGSA-N 2 0 292.383 -0.839 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000970718905 659070173 /nfs/dbraw/zinc/07/01/73/659070173.db2.gz YAXQXOBYRHGARB-VXGBXAGGSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](CCO)C1 ZINC000970879352 659074191 /nfs/dbraw/zinc/07/41/91/659074191.db2.gz VTBDXHNHJFXGDK-MNOVXSKESA-N 2 0 255.362 -0.633 20 0 CBADRP C[C@@H](O)[C@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000929283434 659113135 /nfs/dbraw/zinc/11/31/35/659113135.db2.gz IQEGGDAEZCOBNF-TZMCWYRMSA-N 2 0 272.389 -0.228 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972734898 659125966 /nfs/dbraw/zinc/12/59/66/659125966.db2.gz HCYCXWIRAVZMIC-NWDGAFQWSA-N 2 0 294.399 -0.511 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972734900 659126861 /nfs/dbraw/zinc/12/68/61/659126861.db2.gz HCYCXWIRAVZMIC-VXGBXAGGSA-N 2 0 294.399 -0.511 20 0 CBADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H](O)CO)C1 ZINC000929769872 659170202 /nfs/dbraw/zinc/17/02/02/659170202.db2.gz BPWDGWDJDBDMHB-STQMWFEESA-N 2 0 260.378 -0.228 20 0 CBADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](O)CO)C1 ZINC000929769871 659170532 /nfs/dbraw/zinc/17/05/32/659170532.db2.gz BPWDGWDJDBDMHB-QWHCGFSZSA-N 2 0 260.378 -0.228 20 0 CBADRP C[C@H](O)[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000929836047 659179086 /nfs/dbraw/zinc/17/90/86/659179086.db2.gz PHMAGXAYUWENQU-WCQYABFASA-N 2 0 251.330 -0.055 20 0 CBADRP C[C@H](O)[C@H](O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000930059456 659201850 /nfs/dbraw/zinc/20/18/50/659201850.db2.gz DDETZOQXGHUMND-RYMFRWLXSA-N 2 0 272.389 -0.088 20 0 CBADRP O=C([C@H]1C[NH+]2CCC[C@H]2CO1)N1CCC[N@@H+](CCO)CC1 ZINC000981208705 659310345 /nfs/dbraw/zinc/31/03/45/659310345.db2.gz BOKBUZLGUFSEIJ-UONOGXRCSA-N 2 0 297.399 -0.624 20 0 CBADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)C[C@H](C)[N@H+]1CCO ZINC000930645646 659315294 /nfs/dbraw/zinc/31/52/94/659315294.db2.gz ZNYNQLQDEYKFTJ-QLFBSQMISA-N 2 0 285.432 -0.170 20 0 CBADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](O)[C@@H](C)O)CC1 ZINC000930664131 659318642 /nfs/dbraw/zinc/31/86/42/659318642.db2.gz ROANSPUJYVNZKS-CHWSQXEVSA-N 2 0 273.421 -0.266 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981529037 659320572 /nfs/dbraw/zinc/32/05/72/659320572.db2.gz XMOGKTOSLJKGKS-NEPJUHHUSA-N 2 0 282.388 -0.416 20 0 CBADRP NC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981529038 659321586 /nfs/dbraw/zinc/32/15/86/659321586.db2.gz XMOGKTOSLJKGKS-NWDGAFQWSA-N 2 0 282.388 -0.416 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[NH+](CCO)CC1 ZINC000981953219 659337458 /nfs/dbraw/zinc/33/74/58/659337458.db2.gz JNMUEWMMQGRETE-ZDUSSCGKSA-N 2 0 269.389 -0.003 20 0 CBADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](O)CO)CC2)CC1 ZINC000930751534 659337672 /nfs/dbraw/zinc/33/76/72/659337672.db2.gz NNTYOKLKGRBEQN-OAHLLOKOSA-N 2 0 285.432 -0.168 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC[NH+](CCO)CC1 ZINC000981958587 659337826 /nfs/dbraw/zinc/33/78/26/659337826.db2.gz GAUHXXOVIJLLNY-QWHCGFSZSA-N 2 0 269.389 -0.289 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC000982149265 659340516 /nfs/dbraw/zinc/34/05/16/659340516.db2.gz PNYOVLDHSBYFQG-UHFFFAOYSA-N 2 0 281.400 -0.001 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCC([N@H+](C)CC(N)=O)CC1)[NH+](C)C ZINC000985483486 659387740 /nfs/dbraw/zinc/38/77/40/659387740.db2.gz ZQRHZIUFDMNRSA-AWEZNQCLSA-N 2 0 298.431 -0.019 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000985790057 659399307 /nfs/dbraw/zinc/39/93/07/659399307.db2.gz OSXDRPBEADCOFF-GFCCVEGCSA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000987123498 659488202 /nfs/dbraw/zinc/48/82/02/659488202.db2.gz KLHHVBBLFPKELP-AAEUAGOBSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000987251236 659499480 /nfs/dbraw/zinc/49/94/80/659499480.db2.gz ARZILCSCNRBRPO-QWHCGFSZSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+]1CCC(NC(=O)C[NH2+][C@H]2C(=O)NCC2(C)C)CC1 ZINC000931651737 659500352 /nfs/dbraw/zinc/50/03/52/659500352.db2.gz KDSUVBJCGYRPMP-LBPRGKRZSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987355475 659502395 /nfs/dbraw/zinc/50/23/95/659502395.db2.gz GPAHVJAZDKBYKG-QWRGUYRKSA-N 2 0 280.372 -0.854 20 0 CBADRP CCN(C(=O)C(=O)NC[C@@H]1CCN1C)[C@H]1CC[N@H+](C)C1 ZINC000931884072 659548558 /nfs/dbraw/zinc/54/85/58/659548558.db2.gz DPMFHVLEOBRETM-RYUDHWBXSA-N 2 0 282.388 -0.641 20 0 CBADRP CCN(C(=O)C(=O)NC[C@@H]1CCN1C)[C@@H]1CC[N@H+](C)C1 ZINC000931884069 659550284 /nfs/dbraw/zinc/55/02/84/659550284.db2.gz DPMFHVLEOBRETM-NWDGAFQWSA-N 2 0 282.388 -0.641 20 0 CBADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C3OCCO3)C2)CC1 ZINC000932000073 659562875 /nfs/dbraw/zinc/56/28/75/659562875.db2.gz ZVFASMZMWVUPAD-GFCCVEGCSA-N 2 0 297.399 -0.108 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)C[N@H+](C)C1CCC1 ZINC000988968286 659564664 /nfs/dbraw/zinc/56/46/64/659564664.db2.gz RRKZAQDWBWXVCD-QWRGUYRKSA-N 2 0 282.388 -0.465 20 0 CBADRP CO[C@@H]1C[C@H]1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000932035265 659568029 /nfs/dbraw/zinc/56/80/29/659568029.db2.gz ZFJGKIBZQRVXOA-VXGBXAGGSA-N 2 0 257.378 -0.027 20 0 CBADRP C[C@H](O)C[N@@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000989490602 659589671 /nfs/dbraw/zinc/58/96/71/659589671.db2.gz CXPKOAZTDPYXLI-ZDUSSCGKSA-N 2 0 281.400 -0.003 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CCO)CN1C(=O)COC1CC[NH+](C)CC1 ZINC000989623123 659603118 /nfs/dbraw/zinc/60/31/18/659603118.db2.gz RYCJYEWLMJKGSX-QWHCGFSZSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989683559 659608531 /nfs/dbraw/zinc/60/85/31/659608531.db2.gz RDWMNIDONIHNDG-GHMZBOCLSA-N 2 0 280.372 -0.854 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989683562 659608756 /nfs/dbraw/zinc/60/87/56/659608756.db2.gz RDWMNIDONIHNDG-WDEREUQCSA-N 2 0 280.372 -0.854 20 0 CBADRP C[NH+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000990526405 659757529 /nfs/dbraw/zinc/75/75/29/659757529.db2.gz RJDLJJWGOXQGJG-WCQYABFASA-N 2 0 294.399 -0.641 20 0 CBADRP C[NH+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000991710328 659841495 /nfs/dbraw/zinc/84/14/95/659841495.db2.gz MNGJDSXYCDLZFU-WCQYABFASA-N 2 0 294.399 -0.641 20 0 CBADRP CC[C@@H](C(=O)N1CC(NC(=O)C[NH+]2CCCC2)C1)[NH+](C)C ZINC000991738594 659843832 /nfs/dbraw/zinc/84/38/32/659843832.db2.gz JITXXMCMLFBXAO-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+]1CCC(OCC(=O)N[C@@H](CO)C[NH+]2CCCC2)CC1 ZINC000935983427 659848876 /nfs/dbraw/zinc/84/88/76/659848876.db2.gz CJAIBFUXBHMKOV-CYBMUJFWSA-N 2 0 299.415 -0.330 20 0 CBADRP C[NH+](C)C1(C(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)CCC1 ZINC000995889925 659910831 /nfs/dbraw/zinc/91/08/31/659910831.db2.gz XCAXMPQDIYIXSX-LLVKDONJSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000995986596 659921202 /nfs/dbraw/zinc/92/12/02/659921202.db2.gz YXWDXHDIFHWHQU-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+]1CCN(c2ccc(N3C[C@@H]4C[C@]4([NH3+])C3)nn2)CC1 ZINC001164416199 718886231 /nfs/dbraw/zinc/88/62/31/718886231.db2.gz UMGWNHZWSVLHGZ-FZMZJTMJSA-N 2 0 274.372 -0.234 20 0 CBADRP C[N@@H+]1CCO[C@@H]2CN(c3ncc4c(n3)C[NH2+]C4)C[C@H]21 ZINC001164669303 719392392 /nfs/dbraw/zinc/39/23/92/719392392.db2.gz UQWDXODHOLNGHW-VXGBXAGGSA-N 2 0 261.329 -0.401 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001076462502 805575737 /nfs/dbraw/zinc/57/57/37/805575737.db2.gz XFTSVGCZKDTDMR-MELADBBJSA-N 2 0 281.400 -0.147 20 0 CBADRP O=C(N1CC[C@H]2C[N@@H+](CCO)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076465606 805577925 /nfs/dbraw/zinc/57/79/25/805577925.db2.gz NFCZBOZBHUEIFS-QWHCGFSZSA-N 2 0 279.384 -0.393 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001076574590 805581796 /nfs/dbraw/zinc/58/17/96/805581796.db2.gz KUIFFCFIDXKMMH-MELADBBJSA-N 2 0 281.400 -0.004 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147886366 814924110 /nfs/dbraw/zinc/92/41/10/814924110.db2.gz VKAIJXOEBOXIJZ-GHMZBOCLSA-N 2 0 270.377 -0.832 20 0 CBADRP CC[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000042468458 790327335 /nfs/dbraw/zinc/32/73/35/790327335.db2.gz NZKJSGZHSJHOOS-GFCCVEGCSA-N 2 0 255.362 -0.081 20 0 CBADRP C[NH+]1CCN(CCn2cc(C[NH2+]C3CC3)nn2)CC1 ZINC000052379413 790338312 /nfs/dbraw/zinc/33/83/12/790338312.db2.gz YPWNMXNRNVSGPS-UHFFFAOYSA-N 2 0 264.377 -0.223 20 0 CBADRP C[NH2+]CC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000063165854 790342219 /nfs/dbraw/zinc/34/22/19/790342219.db2.gz NDXJQWAJUHHGNF-UHFFFAOYSA-N 2 0 254.334 -0.530 20 0 CBADRP C[NH+](C)CCNc1ccnc(N2CC[NH2+]CC2)n1 ZINC000084585974 790365909 /nfs/dbraw/zinc/36/59/09/790365909.db2.gz PCBJOGKQNVKEKD-UHFFFAOYSA-N 2 0 250.350 -0.140 20 0 CBADRP C[N@@H+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1(C)C ZINC000091312229 790370894 /nfs/dbraw/zinc/37/08/94/790370894.db2.gz JJWQLOOLGFMOFW-NSHDSACASA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+](C)C1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000128919011 790386405 /nfs/dbraw/zinc/38/64/05/790386405.db2.gz PUFMEEUVURAXOE-LLVKDONJSA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+]1CCN(CCNC(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000134506573 790391652 /nfs/dbraw/zinc/39/16/52/790391652.db2.gz FMBFNFGRKSBFEN-ZDUSSCGKSA-N 2 0 268.405 -0.260 20 0 CBADRP CC[NH+](CC)CC(=O)NC1CCN(CC(N)=O)CC1 ZINC000144459994 790395484 /nfs/dbraw/zinc/39/54/84/790395484.db2.gz LUOPVASSAWQVQJ-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP CN(C)C(=O)CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000302684554 790471212 /nfs/dbraw/zinc/47/12/12/790471212.db2.gz QXKRBVKXKPNOKQ-GFCCVEGCSA-N 2 0 254.378 -0.556 20 0 CBADRP c1ncn(CC[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000310899689 790476671 /nfs/dbraw/zinc/47/66/71/790476671.db2.gz MOBSCHSQZVDUGH-LBPRGKRZSA-N 2 0 250.350 -0.742 20 0 CBADRP CNc1nccc(CN2CCN(CC[NH+](C)C)CC2)n1 ZINC000380176414 790512129 /nfs/dbraw/zinc/51/21/29/790512129.db2.gz AGEZAUOYQIWVGL-UHFFFAOYSA-N 2 0 278.404 -0.381 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN1CCC[C@H](C(N)=O)C1 ZINC000386117225 790544055 /nfs/dbraw/zinc/54/40/55/790544055.db2.gz MDBAIIGWRCQBGK-RYUDHWBXSA-N 2 0 257.378 -0.114 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000386343913 790548849 /nfs/dbraw/zinc/54/88/49/790548849.db2.gz LZCINABJRGQPDU-AGIUHOORSA-N 2 0 259.394 -0.392 20 0 CBADRP CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000388248079 790555471 /nfs/dbraw/zinc/55/54/71/790555471.db2.gz GTTGJJUULFNZOV-VXGBXAGGSA-N 2 0 291.417 -0.669 20 0 CBADRP C[NH2+]CC1CC[NH+](C[C@@H](O)CN(C)CCOC)CC1 ZINC000388734162 790557701 /nfs/dbraw/zinc/55/77/01/790557701.db2.gz KLRYIUNLCPRBAQ-AWEZNQCLSA-N 2 0 273.421 -0.143 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000388673167 790559518 /nfs/dbraw/zinc/55/95/18/790559518.db2.gz CXMZZMLKCLEPAY-HZSPNIEDSA-N 2 0 273.421 -0.015 20 0 CBADRP CC[N@@H+]1CC[C@@H](NS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000389600546 790560775 /nfs/dbraw/zinc/56/07/75/790560775.db2.gz SYUMZQSERQVISF-GFCCVEGCSA-N 2 0 275.418 0.000 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000394077095 790576697 /nfs/dbraw/zinc/57/66/97/790576697.db2.gz CERBTPCEUXCQPT-QWHCGFSZSA-N 2 0 259.394 -0.533 20 0 CBADRP [NH3+][C@H](CC1CC1)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394383811 790577246 /nfs/dbraw/zinc/57/72/46/790577246.db2.gz GHSJOZBUGFFLJZ-CHWSQXEVSA-N 2 0 266.389 -0.380 20 0 CBADRP COC(=O)[C@](C)(O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000394092604 790577341 /nfs/dbraw/zinc/57/73/41/790577341.db2.gz JWIBIJXGVOSTCP-DMDPSCGWSA-N 2 0 256.346 -0.206 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000394133484 790577665 /nfs/dbraw/zinc/57/76/65/790577665.db2.gz OHPSKJUUHDHSKJ-STQMWFEESA-N 2 0 259.394 -0.404 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1[C@H](C)C[NH2+][C@@H](C)[C@@H]1C ZINC000401185910 790607208 /nfs/dbraw/zinc/60/72/08/790607208.db2.gz FASBRVJTGCXYHX-RFGFWPKPSA-N 2 0 273.421 -0.004 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1[C@H](C)C[NH2+][C@H](C)[C@H]1C ZINC000401185914 790607366 /nfs/dbraw/zinc/60/73/66/790607366.db2.gz FASBRVJTGCXYHX-SYQHCUMBSA-N 2 0 273.421 -0.004 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1[C@H](C)C[NH2+][C@@H](C)[C@H]1C ZINC000401185912 790607515 /nfs/dbraw/zinc/60/75/15/790607515.db2.gz FASBRVJTGCXYHX-RQJABVFESA-N 2 0 273.421 -0.004 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000529390801 790630902 /nfs/dbraw/zinc/63/09/02/790630902.db2.gz WCBMTUCKUAILFC-TZMCWYRMSA-N 2 0 282.388 -0.240 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000686191467 790648620 /nfs/dbraw/zinc/64/86/20/790648620.db2.gz AGTCSFGRWOAKPS-LLVKDONJSA-N 2 0 255.362 -0.489 20 0 CBADRP CN(CC[N@H+](C)CCO)C(=O)C1CC[NH+](C)CC1 ZINC000691285679 790674584 /nfs/dbraw/zinc/67/45/84/790674584.db2.gz HXOGTPGMDRJMHS-UHFFFAOYSA-N 2 0 257.378 -0.289 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000692359993 790676831 /nfs/dbraw/zinc/67/68/31/790676831.db2.gz YFMNPMUGFQCHAX-HZSPNIEDSA-N 2 0 273.421 -0.015 20 0 CBADRP C[C@@H](CCNS(=O)(=O)[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000697905707 790694654 /nfs/dbraw/zinc/69/46/54/790694654.db2.gz HIFBNWMJIMZSSD-QWRGUYRKSA-N 2 0 263.407 -0.002 20 0 CBADRP [NH3+]CCOCCN1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000708860021 790735934 /nfs/dbraw/zinc/73/59/34/790735934.db2.gz YUFBQWDETJDCPO-MNOVXSKESA-N 2 0 262.375 -0.387 20 0 CBADRP C[NH+](C)CC1(O)CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000710624425 790740983 /nfs/dbraw/zinc/74/09/83/790740983.db2.gz VTZCPWJFBBFBDD-NSHDSACASA-N 2 0 255.362 -0.347 20 0 CBADRP CN1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C[NH3+])C1 ZINC000715848804 790752214 /nfs/dbraw/zinc/75/22/14/790752214.db2.gz VUVCCLHRQCKMPK-LLVKDONJSA-N 2 0 252.362 -0.817 20 0 CBADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)N1CCNCC1=O ZINC000719445624 790760394 /nfs/dbraw/zinc/76/03/94/790760394.db2.gz VZLRTPPFQLSVSW-VWYCJHECSA-N 2 0 268.361 -0.985 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720822680 790771895 /nfs/dbraw/zinc/77/18/95/790771895.db2.gz NVHDXAHMWABRGG-BFHYXJOUSA-N 2 0 271.405 -0.533 20 0 CBADRP CO[C@]1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCS(=O)(=O)C1 ZINC000721172707 790778508 /nfs/dbraw/zinc/77/85/08/790778508.db2.gz HRJHVMREELGRPL-TUAOUCFPSA-N 2 0 276.402 -0.093 20 0 CBADRP CN1C[C@H](C(=O)NCCN2CCC([NH3+])CC2)CC1=O ZINC000721900999 790785768 /nfs/dbraw/zinc/78/57/68/790785768.db2.gz FYBLLDNTHJQELV-SNVBAGLBSA-N 2 0 268.361 -0.996 20 0 CBADRP COC[C@@H](C)OC[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723844228 790803223 /nfs/dbraw/zinc/80/32/23/790803223.db2.gz LRUFLFYXMKNFLH-FDYHWXHSSA-N 2 0 260.378 -0.075 20 0 CBADRP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723672137 790803804 /nfs/dbraw/zinc/80/38/04/790803804.db2.gz JNPKLYRVFBVJLK-JTQLQIEISA-N 2 0 256.350 -0.107 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724575825 790807589 /nfs/dbraw/zinc/80/75/89/790807589.db2.gz CRROBYUNIWRMEE-MELADBBJSA-N 2 0 269.389 -0.373 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724599513 790807002 /nfs/dbraw/zinc/80/70/02/790807002.db2.gz LBDKWDIBKOMJFH-FRRDWIJNSA-N 2 0 258.362 -0.042 20 0 CBADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001020679207 790939470 /nfs/dbraw/zinc/93/94/70/790939470.db2.gz LEGLFJFSXMZVIF-HAQNSBGRSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)C(N)=O ZINC001022090152 790989225 /nfs/dbraw/zinc/98/92/25/790989225.db2.gz UAZBKTWAYXYJQI-FTYKPCCVSA-N 2 0 294.399 -0.561 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)CC[N@@H+]1C ZINC001022109089 790992069 /nfs/dbraw/zinc/99/20/69/790992069.db2.gz DXKYTBHHLAYPQA-QNWHQSFQSA-N 2 0 269.389 -0.054 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001022164874 790993315 /nfs/dbraw/zinc/99/33/15/790993315.db2.gz SNNYANZNADZLNS-FVCCEPFGSA-N 2 0 296.415 -0.029 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022202249 790997644 /nfs/dbraw/zinc/99/76/44/790997644.db2.gz URAJIICQEYTETK-FRRDWIJNSA-N 2 0 296.415 -0.029 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001022292694 791001449 /nfs/dbraw/zinc/00/14/49/791001449.db2.gz PQZHVYBWOURILT-YVECIDJPSA-N 2 0 294.399 -0.404 20 0 CBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)C12CCC[NH+]1CCC2 ZINC001022362746 791008676 /nfs/dbraw/zinc/00/86/76/791008676.db2.gz FKWVSIHSXKXLIF-TXEJJXNPSA-N 2 0 267.373 -0.156 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001022646133 791039766 /nfs/dbraw/zinc/03/97/66/791039766.db2.gz BNVMGJUFJREBBY-RTXFEEFZSA-N 2 0 269.389 -0.054 20 0 CBADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001022717208 791042671 /nfs/dbraw/zinc/04/26/71/791042671.db2.gz SVNQWWZJZLPOSP-TXEJJXNPSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1)C(N)=O ZINC001022717467 791043339 /nfs/dbraw/zinc/04/33/39/791043339.db2.gz XTYPKVKXJLJPPX-UTUOFQBUSA-N 2 0 296.415 -0.171 20 0 CBADRP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077003988 805670439 /nfs/dbraw/zinc/67/04/39/805670439.db2.gz IHPDKUGLHVIEOJ-MGPQQGTHSA-N 2 0 281.400 -0.101 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077002960 805671348 /nfs/dbraw/zinc/67/13/48/805671348.db2.gz NNJJCJNBYXCWJT-JHJVBQTASA-N 2 0 267.373 -0.491 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418526 805729022 /nfs/dbraw/zinc/72/90/22/805729022.db2.gz STIAPRISODZIJJ-UNOFRPGUSA-N 2 0 295.383 -0.969 20 0 CBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC1CCOCC1 ZINC001147892047 814924729 /nfs/dbraw/zinc/92/47/29/814924729.db2.gz HJBLGJNKUZDFAM-UHFFFAOYSA-N 2 0 287.404 -0.303 20 0 CBADRP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001077680651 805767866 /nfs/dbraw/zinc/76/78/66/805767866.db2.gz QLMIEYRONKHGIZ-YNEHKIRRSA-N 2 0 269.389 -0.101 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900521 814925714 /nfs/dbraw/zinc/92/57/14/814925714.db2.gz PEKQVJXFWRVJEC-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078175736 805848305 /nfs/dbraw/zinc/84/83/05/805848305.db2.gz KHRULUZXFJQEPY-YNEHKIRRSA-N 2 0 269.389 -0.245 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001078812378 805891729 /nfs/dbraw/zinc/89/17/29/805891729.db2.gz JLOANYRMICCPSL-NWDGAFQWSA-N 2 0 294.399 -0.416 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900523 814926828 /nfs/dbraw/zinc/92/68/28/814926828.db2.gz PEKQVJXFWRVJEC-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080782773 806010065 /nfs/dbraw/zinc/01/00/65/806010065.db2.gz AMRPUMNSELGCBV-FRRDWIJNSA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080936365 806018266 /nfs/dbraw/zinc/01/82/66/806018266.db2.gz VDNNTHDDPKNJQY-JHJVBQTASA-N 2 0 269.389 -0.243 20 0 CBADRP CO[C@@H](C)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977039 814928125 /nfs/dbraw/zinc/92/81/25/814928125.db2.gz GVOGVCNSQZYXQI-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081673114 806113440 /nfs/dbraw/zinc/11/34/40/806113440.db2.gz XZEVRVPIDQDRKZ-BFHYXJOUSA-N 2 0 297.399 -0.864 20 0 CBADRP CO[C@@H]1CN(CCO)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001082133664 806147542 /nfs/dbraw/zinc/14/75/42/806147542.db2.gz LLKIPODHZYKHKQ-YNEHKIRRSA-N 2 0 285.388 -0.722 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147999694 814929478 /nfs/dbraw/zinc/92/94/78/814929478.db2.gz CTKSFCFLDIFBAS-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(N)=O ZINC001082448503 806178676 /nfs/dbraw/zinc/17/86/76/806178676.db2.gz SWNAXCZHNVLHDB-MXWKQRLJSA-N 2 0 268.361 -0.998 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCO ZINC001082449921 806178772 /nfs/dbraw/zinc/17/87/72/806178772.db2.gz OTNLYQLBJLPWMX-UTUOFQBUSA-N 2 0 255.362 -0.491 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(N)=O ZINC001082519991 806185004 /nfs/dbraw/zinc/18/50/04/806185004.db2.gz SQPRAODLLBJSMJ-DDHJBXDOSA-N 2 0 282.388 -0.752 20 0 CBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CCO ZINC001082740823 806193895 /nfs/dbraw/zinc/19/38/95/806193895.db2.gz HKAGZHFJXBDBGF-JHJVBQTASA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)C(N)=O ZINC001082863515 806197194 /nfs/dbraw/zinc/19/71/94/806197194.db2.gz GUUUJFZXDSQCKE-GRYCIOLGSA-N 2 0 294.399 -0.608 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082921946 806198559 /nfs/dbraw/zinc/19/85/59/806198559.db2.gz YKDNVCLFUCTOIB-JHJVBQTASA-N 2 0 294.399 -0.593 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCCO)C[C@@H]32)C1 ZINC001083275019 806245265 /nfs/dbraw/zinc/24/52/65/806245265.db2.gz LMVQWHXCSSUGSB-MELADBBJSA-N 2 0 297.399 -0.768 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C)C(N)=O ZINC001148058251 814929985 /nfs/dbraw/zinc/92/99/85/814929985.db2.gz UULCRLQSWRQMAF-LLVKDONJSA-N 2 0 293.371 -0.269 20 0 CBADRP CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466153 806334836 /nfs/dbraw/zinc/33/48/36/806334836.db2.gz IHPDKUGLHVIEOJ-MJBXVCDLSA-N 2 0 281.400 -0.101 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001083505820 806347676 /nfs/dbraw/zinc/34/76/76/806347676.db2.gz DLFUTCGHDJROGT-MCIONIFRSA-N 2 0 299.415 -0.596 20 0 CBADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]CCO ZINC001148058248 814930658 /nfs/dbraw/zinc/93/06/58/814930658.db2.gz URPBJANUBKGZBJ-UHFFFAOYSA-N 2 0 252.318 -0.541 20 0 CBADRP COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083726910 806416538 /nfs/dbraw/zinc/41/65/38/806416538.db2.gz AAAKLUHFXWYTLD-FQUUOJAGSA-N 2 0 299.415 -0.476 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083728163 806417545 /nfs/dbraw/zinc/41/75/45/806417545.db2.gz IXYMGYQWOAIDLJ-RVMXOQNASA-N 2 0 269.389 -0.102 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781465 806430841 /nfs/dbraw/zinc/43/08/41/806430841.db2.gz IQHVROLUYNUENO-UTUOFQBUSA-N 2 0 255.362 -0.491 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148051156 814930957 /nfs/dbraw/zinc/93/09/57/814930957.db2.gz AFOFTAFKOBPGGD-SNVBAGLBSA-N 2 0 266.345 -0.152 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1O ZINC001083778277 806432019 /nfs/dbraw/zinc/43/20/19/806432019.db2.gz HIOARCNKMKHRGV-XQQFMLRXSA-N 2 0 287.379 -0.008 20 0 CBADRP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833455 806442358 /nfs/dbraw/zinc/44/23/58/806442358.db2.gz BUFGANWZWOFFNZ-BNOWGMLFSA-N 2 0 299.415 -0.740 20 0 CBADRP C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959058 806470629 /nfs/dbraw/zinc/47/06/29/806470629.db2.gz CPDJPPICVSDLAS-UPJWGTAASA-N 2 0 299.390 -0.008 20 0 CBADRP CC(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084056699 806481700 /nfs/dbraw/zinc/48/17/00/806481700.db2.gz KHRULUZXFJQEPY-XQQFMLRXSA-N 2 0 269.389 -0.245 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CCO)C[C@H]32)C1 ZINC001084831483 806538589 /nfs/dbraw/zinc/53/85/89/806538589.db2.gz NADYOZRVPNUGKM-JHJVBQTASA-N 2 0 267.373 -0.537 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CCCO)C[C@H]32)C1 ZINC001084831389 806538312 /nfs/dbraw/zinc/53/83/12/806538312.db2.gz JPRODHKNQKUYPO-HZSPNIEDSA-N 2 0 281.400 -0.147 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CCO)C[C@H]32)C1 ZINC001084831482 806539294 /nfs/dbraw/zinc/53/92/94/806539294.db2.gz NADYOZRVPNUGKM-FRRDWIJNSA-N 2 0 267.373 -0.537 20 0 CBADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001085319616 806553242 /nfs/dbraw/zinc/55/32/42/806553242.db2.gz GGRVLFAJIUNTCR-CHWSQXEVSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1)C(N)=O ZINC001022809293 798841987 /nfs/dbraw/zinc/84/19/87/798841987.db2.gz JDZVPHFUCCHMJB-WCFLWFBJSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC001022809395 798842542 /nfs/dbraw/zinc/84/25/42/798842542.db2.gz LEGLFJFSXMZVIF-TXEJJXNPSA-N 2 0 282.388 -0.560 20 0 CBADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)CC1 ZINC001022886887 798863468 /nfs/dbraw/zinc/86/34/68/798863468.db2.gz QXRHUJAJRYZBTK-BETUJISGSA-N 2 0 269.389 -0.053 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001022981323 798872069 /nfs/dbraw/zinc/87/20/69/798872069.db2.gz JZFDKJQYFRSOCW-TUAOUCFPSA-N 2 0 294.399 -0.417 20 0 CBADRP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001023083848 798880422 /nfs/dbraw/zinc/88/04/22/798880422.db2.gz BLIVNTZFCLPURV-UTUOFQBUSA-N 2 0 292.387 -0.496 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001023273149 798895762 /nfs/dbraw/zinc/89/57/62/798895762.db2.gz JSDAQGGZSANTSP-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP O=C(NC[C@H]1CCC[N@@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC001023703165 798919663 /nfs/dbraw/zinc/91/96/63/798919663.db2.gz BSQHEUQWRRXIOC-CYBMUJFWSA-N 2 0 281.400 -0.097 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC001026045789 798987730 /nfs/dbraw/zinc/98/77/30/798987730.db2.gz JNJAGHGFSXUPCX-KVSVUVNWSA-N 2 0 267.373 -0.777 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001026043504 798988018 /nfs/dbraw/zinc/98/80/18/798988018.db2.gz FXQFLAHNZDWFFF-JYKNGBAOSA-N 2 0 281.400 -0.245 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001026140330 798991625 /nfs/dbraw/zinc/99/16/25/798991625.db2.gz GEQXNRFIRTXHFY-JYKNGBAOSA-N 2 0 281.400 -0.245 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001026421786 799004668 /nfs/dbraw/zinc/00/46/68/799004668.db2.gz WMDYXVOZFKVYQM-YNEHKIRRSA-N 2 0 294.399 -0.606 20 0 CBADRP C[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001027680922 799063994 /nfs/dbraw/zinc/06/39/94/799063994.db2.gz LZRSJKAPGUBVPB-STQMWFEESA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCO)CC[N@@H+]1C ZINC001027893786 799092381 /nfs/dbraw/zinc/09/23/81/799092381.db2.gz GEDDNTWIDDMQHT-FRRDWIJNSA-N 2 0 269.389 -0.101 20 0 CBADRP NC(=O)CN1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027996127 799101766 /nfs/dbraw/zinc/10/17/66/799101766.db2.gz BWDCXZVSARHCOF-GFCCVEGCSA-N 2 0 294.399 -0.319 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001028446447 799137706 /nfs/dbraw/zinc/13/77/06/799137706.db2.gz GIGBNCPNXLLECO-QWRGUYRKSA-N 2 0 268.361 -0.996 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001028447097 799138298 /nfs/dbraw/zinc/13/82/98/799138298.db2.gz LUZANUXQKWEVOE-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001028446445 799138760 /nfs/dbraw/zinc/13/87/60/799138760.db2.gz GIGBNCPNXLLECO-GHMZBOCLSA-N 2 0 268.361 -0.996 20 0 CBADRP CN1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+](CCF)C2)C1 ZINC001028465959 799139648 /nfs/dbraw/zinc/13/96/48/799139648.db2.gz NTCRSFBKVMMVDQ-VXGBXAGGSA-N 2 0 273.352 -0.275 20 0 CBADRP O=C(NC[C@@H]1CC[N@@H+](CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001028539382 799150595 /nfs/dbraw/zinc/15/05/95/799150595.db2.gz VNHZLXLPNRLBSC-GXTWGEPZSA-N 2 0 281.400 -0.241 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCO)C1 ZINC001028637530 799156116 /nfs/dbraw/zinc/15/61/16/799156116.db2.gz XTXPOSDBPYMIFF-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028776852 799169929 /nfs/dbraw/zinc/16/99/29/799169929.db2.gz VSVYAMPDABZLFT-LBPRGKRZSA-N 2 0 296.415 -0.488 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001029004195 799186138 /nfs/dbraw/zinc/18/61/38/799186138.db2.gz UTGRDBIPKMZQBV-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031585194 799513578 /nfs/dbraw/zinc/51/35/78/799513578.db2.gz RTXOZECDOACLPH-PWSUYJOCSA-N 2 0 255.362 -0.491 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCn2cncn2)C1 ZINC001031585034 799514133 /nfs/dbraw/zinc/51/41/33/799514133.db2.gz OJVWLHLAHDMWFW-ZDUSSCGKSA-N 2 0 292.387 -0.580 20 0 CBADRP C[C@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001031776315 799542078 /nfs/dbraw/zinc/54/20/78/799542078.db2.gz IBIFDRPQQJTAOS-AAEUAGOBSA-N 2 0 269.389 -0.101 20 0 CBADRP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C[C@H](C)O)C2)C1 ZINC001031921522 799562228 /nfs/dbraw/zinc/56/22/28/799562228.db2.gz RWAVCAKUTCWMCO-GXTWGEPZSA-N 2 0 299.415 -0.476 20 0 CBADRP C[C@@H](O)C[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031947799 799565578 /nfs/dbraw/zinc/56/55/78/799565578.db2.gz KMIFJODWODVGMR-LLVKDONJSA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031977080 799568033 /nfs/dbraw/zinc/56/80/33/799568033.db2.gz WDJASBVIALNGIQ-JQWIXIFHSA-N 2 0 255.362 -0.776 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031977082 799568680 /nfs/dbraw/zinc/56/86/80/799568680.db2.gz WDJASBVIALNGIQ-ZYHUDNBSSA-N 2 0 255.362 -0.776 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032603078 799647504 /nfs/dbraw/zinc/64/75/04/799647504.db2.gz NWDLQPUOAARJGF-XBFCOCLRSA-N 2 0 281.400 -0.006 20 0 CBADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCCO)C1 ZINC001032958882 799697254 /nfs/dbraw/zinc/69/72/54/799697254.db2.gz BWRBKBOFULOVPP-QWHCGFSZSA-N 2 0 269.389 -0.004 20 0 CBADRP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033398157 799749207 /nfs/dbraw/zinc/74/92/07/799749207.db2.gz WCNUMPOKZNMMLF-CYBMUJFWSA-N 2 0 269.389 -0.147 20 0 CBADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CCCO)C1 ZINC001033592823 799768718 /nfs/dbraw/zinc/76/87/18/799768718.db2.gz IABMNYGNICVLLJ-ZDUSSCGKSA-N 2 0 281.400 -0.003 20 0 CBADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033663179 799778832 /nfs/dbraw/zinc/77/88/32/799778832.db2.gz UNGUNFMIBJSGNH-VXGBXAGGSA-N 2 0 255.362 -0.537 20 0 CBADRP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCO)C1 ZINC001033777288 799789770 /nfs/dbraw/zinc/78/97/70/799789770.db2.gz UOOUPPPKBOZTPE-QWHCGFSZSA-N 2 0 269.389 -0.004 20 0 CBADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCO)C1 ZINC001034040570 799808044 /nfs/dbraw/zinc/80/80/44/799808044.db2.gz VNLDUTZGIXDFTA-QWHCGFSZSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036301011 799986648 /nfs/dbraw/zinc/98/66/48/799986648.db2.gz WNBWGKQFQUXEDO-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001036895653 800013153 /nfs/dbraw/zinc/01/31/53/800013153.db2.gz BQTITVNNEZFWHK-UONOGXRCSA-N 2 0 281.400 -0.003 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038664404 801235103 /nfs/dbraw/zinc/23/51/03/801235103.db2.gz UWNAALADZIMBTB-WCQYABFASA-N 2 0 269.389 -0.101 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](CCCO)C2)C1 ZINC001046839965 801798343 /nfs/dbraw/zinc/79/83/43/801798343.db2.gz VIHAQWZHGMHEHA-GXTWGEPZSA-N 2 0 269.389 -0.099 20 0 CBADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001047324498 801834994 /nfs/dbraw/zinc/83/49/94/801834994.db2.gz RBDSVZFNRRNWJF-AVGNSLFASA-N 2 0 287.379 -0.056 20 0 CBADRP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047513435 801890571 /nfs/dbraw/zinc/89/05/71/801890571.db2.gz HLPDWKDBHKWOMJ-KBPBESRZSA-N 2 0 299.415 -0.786 20 0 CBADRP CC(C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047544736 801897041 /nfs/dbraw/zinc/89/70/41/801897041.db2.gz IKQOFSPHHLJVBY-RYUDHWBXSA-N 2 0 266.345 -0.136 20 0 CBADRP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001047597808 801907965 /nfs/dbraw/zinc/90/79/65/801907965.db2.gz GIFNQGVBPAILRV-AGIUHOORSA-N 2 0 269.389 -0.148 20 0 CBADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001047598507 801909347 /nfs/dbraw/zinc/90/93/47/801909347.db2.gz MDKQHPYTNZGRRO-KBPBESRZSA-N 2 0 293.411 -0.004 20 0 CBADRP CC(C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598580 801909556 /nfs/dbraw/zinc/90/95/56/801909556.db2.gz PPMUCBKKWBPVMN-STQMWFEESA-N 2 0 281.400 -0.006 20 0 CBADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001047627675 801915393 /nfs/dbraw/zinc/91/53/93/801915393.db2.gz TXKOMKFJCSHVGV-RDBSUJKOSA-N 2 0 281.400 -0.148 20 0 CBADRP C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048723487 801956736 /nfs/dbraw/zinc/95/67/36/801956736.db2.gz FZPVOKDXDGRLPC-YIYPIFLZSA-N 2 0 281.400 -0.148 20 0 CBADRP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048721065 801957440 /nfs/dbraw/zinc/95/74/40/801957440.db2.gz WFYWQLMEKLXRFW-FRRDWIJNSA-N 2 0 294.399 -0.783 20 0 CBADRP C[N@H+](CC(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1)C1CCC1 ZINC001048864753 801975725 /nfs/dbraw/zinc/97/57/25/801975725.db2.gz OFSPIWHMSIWOIC-TXEJJXNPSA-N 2 0 294.399 -0.654 20 0 CBADRP O=C(N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1)C12CCC[NH+]1CCC2 ZINC001048919438 801980060 /nfs/dbraw/zinc/98/00/60/801980060.db2.gz ZWLVNLGFGYLFNK-OKILXGFUSA-N 2 0 293.411 -0.003 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1 ZINC001049056934 801995870 /nfs/dbraw/zinc/99/58/70/801995870.db2.gz DSHBFEJSSZRWOE-MELADBBJSA-N 2 0 281.400 -0.147 20 0 CBADRP O=C(N1CC2(C1)CC[NH+](CCO)CC2)C12CC[NH+](CC1)C2 ZINC001050732186 802072296 /nfs/dbraw/zinc/07/22/96/802072296.db2.gz KGAKGOSAGYBQQJ-UHFFFAOYSA-N 2 0 293.411 -0.001 20 0 CBADRP CC[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCO1 ZINC001051887876 802170538 /nfs/dbraw/zinc/17/05/38/802170538.db2.gz KNWQIUSZJYSQLL-CQSZACIVSA-N 2 0 299.415 -0.066 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001052248876 802188790 /nfs/dbraw/zinc/18/87/90/802188790.db2.gz BBJABZOKKCNAIV-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052713555 802214059 /nfs/dbraw/zinc/21/40/59/802214059.db2.gz ZUIYIAYXJCGWGC-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052934321 802224185 /nfs/dbraw/zinc/22/41/85/802224185.db2.gz IYANZOXPQSOXHS-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052938210 802224724 /nfs/dbraw/zinc/22/47/24/802224724.db2.gz UPUVFRPGMRLCCJ-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001054296969 802333143 /nfs/dbraw/zinc/33/31/43/802333143.db2.gz XPBPAEOXZOHVGX-JHJVBQTASA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CCO ZINC001054734982 802366080 /nfs/dbraw/zinc/36/60/80/802366080.db2.gz HCUNUUWSUACATA-VXGBXAGGSA-N 2 0 269.389 -0.101 20 0 CBADRP Cc1nccn1CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001118146488 812479041 /nfs/dbraw/zinc/47/90/41/812479041.db2.gz AFXFKIVEUIENAH-AWEZNQCLSA-N 2 0 281.404 -0.611 20 0 CBADRP O[C@@H](C[NH2+]CCC[NH+]1CCCC1)C[C@]1(O)CCOC1 ZINC001120243975 812940862 /nfs/dbraw/zinc/94/08/62/812940862.db2.gz JWMZJKRRNKFNCO-ZIAGYGMSSA-N 2 0 272.389 -0.036 20 0 CBADRP C[C@]1(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[C@@H](O)C[NH2+]1 ZINC001121931133 813091141 /nfs/dbraw/zinc/09/11/41/813091141.db2.gz FCKRZJSRPAIDOK-ILOGHGLZSA-N 2 0 267.373 -0.315 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001121930691 813091739 /nfs/dbraw/zinc/09/17/39/813091739.db2.gz QDKNFQZWNIRQGC-VIFPVBQESA-N 2 0 254.334 -0.404 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001121936641 813092016 /nfs/dbraw/zinc/09/20/16/813092016.db2.gz FLDNYYRFIHMWJS-FVCCEPFGSA-N 2 0 264.373 -0.948 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001121930690 813092126 /nfs/dbraw/zinc/09/21/26/813092126.db2.gz QDKNFQZWNIRQGC-SECBINFHSA-N 2 0 254.334 -0.404 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001122107308 813118285 /nfs/dbraw/zinc/11/82/85/813118285.db2.gz BEPYTSLOKWVUCZ-YVECIDJPSA-N 2 0 266.389 -0.463 20 0 CBADRP C[C@]1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[C@@H](O)C[NH2+]1 ZINC001122126144 813121088 /nfs/dbraw/zinc/12/10/88/813121088.db2.gz MDCVOOVVCGJKNS-UNJBNNCHSA-N 2 0 267.373 -0.313 20 0 CBADRP C[C@@]1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[C@@H](O)C[NH2+]1 ZINC001122126146 813121374 /nfs/dbraw/zinc/12/13/74/813121374.db2.gz MDCVOOVVCGJKNS-XCCSTKFXSA-N 2 0 267.373 -0.313 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001122133719 813121395 /nfs/dbraw/zinc/12/13/95/813121395.db2.gz GDMLQMPSSUJECO-HTQZYQBOSA-N 2 0 265.304 -0.554 20 0 CBADRP CCC1([NH3+])CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001122132010 813121408 /nfs/dbraw/zinc/12/14/08/813121408.db2.gz PKHUKWFUKJTZPM-PWSUYJOCSA-N 2 0 255.362 -0.171 20 0 CBADRP CCC1([NH3+])CCN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001122132009 813121504 /nfs/dbraw/zinc/12/15/04/813121504.db2.gz PKHUKWFUKJTZPM-JQWIXIFHSA-N 2 0 255.362 -0.171 20 0 CBADRP [NH3+]CC1(CCNC(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001122125282 813121821 /nfs/dbraw/zinc/12/18/21/813121821.db2.gz ARRYRSKCVFBVRM-UHFFFAOYSA-N 2 0 269.389 -0.064 20 0 CBADRP C[NH2+][C@H](CNC(=O)C1(O)C[NH2+]C1)Cc1ccccc1 ZINC001122178975 813127618 /nfs/dbraw/zinc/12/76/18/813127618.db2.gz BGHOEMJWNJZBHP-LBPRGKRZSA-N 2 0 263.341 -0.732 20 0 CBADRP [NH3+][C@H](C(=O)N1CCC[C@H]([NH2+]CCO)C1)C1CCC1 ZINC001122175780 813128089 /nfs/dbraw/zinc/12/80/89/813128089.db2.gz PNSVESMPIRXXGU-RYUDHWBXSA-N 2 0 255.362 -0.313 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCC[C@H]([NH2+]CCO)C1)C1CCC1 ZINC001122175779 813128296 /nfs/dbraw/zinc/12/82/96/813128296.db2.gz PNSVESMPIRXXGU-NWDGAFQWSA-N 2 0 255.362 -0.313 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001122368085 813155153 /nfs/dbraw/zinc/15/51/53/813155153.db2.gz MGUHCRIFZITPMG-SRVKXCTJSA-N 2 0 257.378 -0.197 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC001122426715 813164178 /nfs/dbraw/zinc/16/41/78/813164178.db2.gz MZGLLKCJYBHLIP-XWLWVQCSSA-N 2 0 255.362 -0.411 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C(N)=O ZINC001129329536 813838043 /nfs/dbraw/zinc/83/80/43/813838043.db2.gz YDNFHLSTJVEPSX-STQMWFEESA-N 2 0 298.431 -0.066 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133291192 814236992 /nfs/dbraw/zinc/23/69/92/814236992.db2.gz KZSBVCAKPZVGGM-LLVKDONJSA-N 2 0 272.393 -0.441 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)CC[NH+](C)C)C(=O)NC1CC1 ZINC001133291652 814237823 /nfs/dbraw/zinc/23/78/23/814237823.db2.gz USRMHPNTMGJENY-JTQLQIEISA-N 2 0 270.377 -0.689 20 0 CBADRP COc1ncc(C[NH2+]CCNC(=O)CC[NH+](C)C)c(C)n1 ZINC001133294513 814237898 /nfs/dbraw/zinc/23/78/98/814237898.db2.gz LVRUCZRAYVMEDZ-UHFFFAOYSA-N 2 0 295.387 -0.049 20 0 CBADRP CCN(C(=O)C[NH2+]CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001133291330 814238178 /nfs/dbraw/zinc/23/81/78/814238178.db2.gz PNGFNUYLAJGHEU-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001133291686 814238353 /nfs/dbraw/zinc/23/83/53/814238353.db2.gz WFYYKZFRSCZGJN-NSHDSACASA-N 2 0 284.404 -0.441 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NCc1ccco1 ZINC001133294536 814238436 /nfs/dbraw/zinc/23/84/36/814238436.db2.gz MLKHGMLPAHIPHL-UHFFFAOYSA-N 2 0 296.371 -0.447 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415663 814249327 /nfs/dbraw/zinc/24/93/27/814249327.db2.gz JPIOYKHOOSRQKW-GFCCVEGCSA-N 2 0 272.393 -0.586 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+][C@@H]1CCCNC1=O)[NH+](C)C ZINC001133415753 814249650 /nfs/dbraw/zinc/24/96/50/814249650.db2.gz MUZPQVQXHBMGNC-VXGBXAGGSA-N 2 0 284.404 -0.443 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+][C@H]1CCCNC1=O)[NH+](C)C ZINC001133415752 814249749 /nfs/dbraw/zinc/24/97/49/814249749.db2.gz MUZPQVQXHBMGNC-NWDGAFQWSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2cnnn2C)C1 ZINC001133842223 814304163 /nfs/dbraw/zinc/30/41/63/814304163.db2.gz HLIZWBHDXIXQFI-LLVKDONJSA-N 2 0 280.376 -0.637 20 0 CBADRP CC(=O)N[C@H](CC(C)C)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001144696836 814777898 /nfs/dbraw/zinc/77/78/98/814777898.db2.gz GCDTXZBRXZWIPF-LLVKDONJSA-N 2 0 285.392 -0.002 20 0 CBADRP CN(C)c1cc[nH+]cc1NC(=O)CN(C)C(N)=[NH2+] ZINC001144128665 814773215 /nfs/dbraw/zinc/77/32/15/814773215.db2.gz LXRJOZABQUVGBT-UHFFFAOYSA-N 2 0 250.306 -0.089 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148360380 814939029 /nfs/dbraw/zinc/93/90/29/814939029.db2.gz RXHNMMQVUFBTJN-UHFFFAOYSA-N 2 0 272.393 -0.488 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148359771 814939794 /nfs/dbraw/zinc/93/97/94/814939794.db2.gz CMYIDAGHNPYMRL-LBPRGKRZSA-N 2 0 275.393 -0.569 20 0 CBADRP C[NH+](C)CCCCC(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001148359999 814939917 /nfs/dbraw/zinc/93/99/17/814939917.db2.gz JPDSEWQDMBRXBA-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001148577822 814950455 /nfs/dbraw/zinc/95/04/55/814950455.db2.gz FEUFUYMAFFRYEF-LBPRGKRZSA-N 2 0 286.420 -0.099 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001148573590 814951472 /nfs/dbraw/zinc/95/14/72/814951472.db2.gz VUQSSUREPTVUPF-SNVBAGLBSA-N 2 0 258.366 -0.702 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N(C)CC ZINC001148638744 814953723 /nfs/dbraw/zinc/95/37/23/814953723.db2.gz PVKGFLGKSCTRMT-UHFFFAOYSA-N 2 0 272.393 -0.488 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)C[N@H+](C)CCC ZINC001148638949 814954260 /nfs/dbraw/zinc/95/42/60/814954260.db2.gz UZAXFBYGFMIGLL-UHFFFAOYSA-N 2 0 272.393 -0.440 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CCN1CCCC1=O ZINC001148643395 814954381 /nfs/dbraw/zinc/95/43/81/814954381.db2.gz YFNVBASOLFKKNR-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N[C@H](C)CC ZINC001148638984 814955102 /nfs/dbraw/zinc/95/51/02/814955102.db2.gz WMAJJSZSLVSACB-GFCCVEGCSA-N 2 0 286.420 -0.051 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001148638824 814955209 /nfs/dbraw/zinc/95/52/09/814955209.db2.gz TXQNVUYEUBRIOJ-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)CCC ZINC001148654826 814956085 /nfs/dbraw/zinc/95/60/85/814956085.db2.gz BMNXHZKEPVEEIF-LBPRGKRZSA-N 2 0 286.420 -0.051 20 0 CBADRP NC(=[NH2+])Nc1ccc(C(=O)NC2(C[NH3+])COC2)cc1 ZINC001148651539 814956105 /nfs/dbraw/zinc/95/61/05/814956105.db2.gz IIMSGVXTWBSQQQ-UHFFFAOYSA-N 2 0 263.301 -0.551 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)CCC ZINC001148654825 814956223 /nfs/dbraw/zinc/95/62/23/814956223.db2.gz BMNXHZKEPVEEIF-GFCCVEGCSA-N 2 0 286.420 -0.051 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001148843415 814958640 /nfs/dbraw/zinc/95/86/40/814958640.db2.gz HKABDCFRKQGOPC-UHFFFAOYSA-N 2 0 269.389 -0.147 20 0 CBADRP C[C@H](C[NH2+]CCN1CCNC1=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001321740656 803808761 /nfs/dbraw/zinc/80/87/61/803808761.db2.gz ZRYBTEUUGLIJJS-NEPJUHHUSA-N 2 0 297.403 -0.942 20 0 CBADRP C[C@@H](C[NH2+]CCOCCO)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321899249 803835743 /nfs/dbraw/zinc/83/57/43/803835743.db2.gz XSKIQYHFHZGVJB-STQMWFEESA-N 2 0 287.404 -0.426 20 0 CBADRP CN(CCC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001322442453 803896788 /nfs/dbraw/zinc/89/67/88/803896788.db2.gz LZBLRZAGRYWCLI-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CN(CCC[NH2+]CC(=O)N1CCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001322442860 803897049 /nfs/dbraw/zinc/89/70/49/803897049.db2.gz PFBPDSSJKJKIAV-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP CN(CCC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001322442454 803897119 /nfs/dbraw/zinc/89/71/19/803897119.db2.gz LZBLRZAGRYWCLI-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CN(CCC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001322442452 803897395 /nfs/dbraw/zinc/89/73/95/803897395.db2.gz LZBLRZAGRYWCLI-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CN(CCC[NH2+]CC(=O)NC1CC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001322648447 803923229 /nfs/dbraw/zinc/92/32/29/803923229.db2.gz MKYXGSJCYJEXDY-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001322684846 803928052 /nfs/dbraw/zinc/92/80/52/803928052.db2.gz CPWHOLGESAYNNF-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@@H](C(=O)N(C)CCC[NH2+]CC(N)=O)[NH+](C)C ZINC001322698779 803929751 /nfs/dbraw/zinc/92/97/51/803929751.db2.gz BWHSVKAQNSMFHV-JTQLQIEISA-N 2 0 258.366 -0.750 20 0 CBADRP CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001322832224 803945318 /nfs/dbraw/zinc/94/53/18/803945318.db2.gz TXXHLJSPKPCBIQ-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1C[C@H](C)O ZINC001323359080 804015268 /nfs/dbraw/zinc/01/52/68/804015268.db2.gz ZBFGFOVCDVBINS-RYUDHWBXSA-N 2 0 257.378 -0.102 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCOCCO)CC1 ZINC001323407775 804023626 /nfs/dbraw/zinc/02/36/26/804023626.db2.gz XPNUNEQXXWOMCJ-LBPRGKRZSA-N 2 0 285.388 -0.672 20 0 CBADRP C[N@H+](C[C@H](O)CN1CC[NH+](CCCCO)CC1)C1CC1 ZINC001324145885 804113439 /nfs/dbraw/zinc/11/34/39/804113439.db2.gz QDQGJSIHIOCKKI-HNNXBMFYSA-N 2 0 285.432 -0.168 20 0 CBADRP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](CCO)C1)[NH+](C)C ZINC001324661401 804184405 /nfs/dbraw/zinc/18/44/05/804184405.db2.gz MSVZRXLPJIVCKW-WCQYABFASA-N 2 0 257.378 -0.101 20 0 CBADRP CC(C)N1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001325317433 804277422 /nfs/dbraw/zinc/27/74/22/804277422.db2.gz AQHPTMYHPQZIJT-UHFFFAOYSA-N 2 0 257.378 -0.102 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001325345456 804278539 /nfs/dbraw/zinc/27/85/39/804278539.db2.gz FDIAPIYXEWPEHH-RWMBFGLXSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCC[NH3+] ZINC001325346224 804279632 /nfs/dbraw/zinc/27/96/32/804279632.db2.gz MBZAHXJTNHUVMC-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC001325380789 804280972 /nfs/dbraw/zinc/28/09/72/804280972.db2.gz PJASOYKVKFFZBP-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001325371482 804281659 /nfs/dbraw/zinc/28/16/59/804281659.db2.gz XRKCUPBEBGJZRV-AAEUAGOBSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001325390489 804282583 /nfs/dbraw/zinc/28/25/83/804282583.db2.gz CCKRDNSFHXDMEC-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC1(C)C ZINC001325702761 804305468 /nfs/dbraw/zinc/30/54/68/804305468.db2.gz BCOWLXGXYKDBIT-LBPRGKRZSA-N 2 0 298.431 -0.147 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001325734583 804310025 /nfs/dbraw/zinc/31/00/25/804310025.db2.gz ORWPHLUSGCLDMC-FRRDWIJNSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](C[NH2+]CCS(C)(=O)=O)CN1CC[NH+](C)CC1 ZINC001325872253 804329694 /nfs/dbraw/zinc/32/96/94/804329694.db2.gz VAVZPSPWOVOQEF-GFCCVEGCSA-N 2 0 277.434 -0.496 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1C[N@H+](CCCO)CCCO1 ZINC001150240967 815022332 /nfs/dbraw/zinc/02/23/32/815022332.db2.gz KFQOBPNOJVQUPE-ZDUSSCGKSA-N 2 0 287.404 -0.472 20 0 CBADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001150469854 815032518 /nfs/dbraw/zinc/03/25/18/815032518.db2.gz JPZZEQLPLUJJCQ-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP C[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150715402 815040958 /nfs/dbraw/zinc/04/09/58/815040958.db2.gz KJJFPRPHBNAXFQ-KBPBESRZSA-N 2 0 299.415 -0.330 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H]1C[N@H+](CCCO)CCCO1 ZINC001150715397 815041296 /nfs/dbraw/zinc/04/12/96/815041296.db2.gz KHVDZPGEUBTKFB-AWEZNQCLSA-N 2 0 299.415 -0.328 20 0 CBADRP CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151048445 815051367 /nfs/dbraw/zinc/05/13/67/815051367.db2.gz BBYYASNMYVWEEB-ZDUSSCGKSA-N 2 0 296.415 -0.488 20 0 CBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151048487 815051656 /nfs/dbraw/zinc/05/16/56/815051656.db2.gz BOVKNYZEHGLWDJ-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001151065219 815056726 /nfs/dbraw/zinc/05/67/26/815056726.db2.gz IMNWRGSEQCJGFY-RYUDHWBXSA-N 2 0 292.387 -0.577 20 0 CBADRP CCN(C(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001151066102 815056806 /nfs/dbraw/zinc/05/68/06/815056806.db2.gz QAZFTVQLYHTTQH-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC2CCC2)C1 ZINC001151048611 815053184 /nfs/dbraw/zinc/05/31/84/815053184.db2.gz CSLOBMBYXJCUMT-CYBMUJFWSA-N 2 0 296.415 -0.440 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCn2cccn2)C1 ZINC001151064363 815053979 /nfs/dbraw/zinc/05/39/79/815053979.db2.gz ARIUQXRMWWHUJR-GFCCVEGCSA-N 2 0 265.361 -0.459 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCOCC(F)F)C1 ZINC001151055951 815054567 /nfs/dbraw/zinc/05/45/67/815054567.db2.gz IYGJSDPPDDJVQZ-JTQLQIEISA-N 2 0 279.331 -0.074 20 0 CBADRP CN1CCC[C@H]([NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001151055990 815054771 /nfs/dbraw/zinc/05/47/71/815054771.db2.gz JTBPRGYJUWFOCC-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001151066084 815055929 /nfs/dbraw/zinc/05/59/29/815055929.db2.gz PNFFALNMLQXLKD-LBPRGKRZSA-N 2 0 277.372 -0.057 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCOC[C@@H]2CCCO2)C1 ZINC001151066736 815056145 /nfs/dbraw/zinc/05/61/45/815056145.db2.gz YIASEECULRFDDV-KGLIPLIRSA-N 2 0 299.415 -0.161 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCCO[C@H]2CCOC2)C1 ZINC001151065688 815056187 /nfs/dbraw/zinc/05/61/87/815056187.db2.gz MVAWXHSTFAZTFI-KBPBESRZSA-N 2 0 299.415 -0.161 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001151065220 815056641 /nfs/dbraw/zinc/05/66/41/815056641.db2.gz IMNWRGSEQCJGFY-VXGBXAGGSA-N 2 0 292.387 -0.577 20 0 CBADRP Cc1cc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)ncn1 ZINC001151066973 815057030 /nfs/dbraw/zinc/05/70/30/815057030.db2.gz ZLMFRVLUNMHCKA-GFCCVEGCSA-N 2 0 277.372 -0.057 20 0 CBADRP CCC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151065645 815057137 /nfs/dbraw/zinc/05/71/37/815057137.db2.gz LUVMBIZMXCWEGO-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CCCC[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001151065838 815057739 /nfs/dbraw/zinc/05/77/39/815057739.db2.gz NLNFATAENZXDNJ-NWDGAFQWSA-N 2 0 284.404 -0.312 20 0 CBADRP CC(C)N1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001151066980 815057822 /nfs/dbraw/zinc/05/78/22/815057822.db2.gz ZSBNTDRVTZLSGF-OLZOCXBDSA-N 2 0 296.415 -0.347 20 0 CBADRP CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151074066 815058729 /nfs/dbraw/zinc/05/87/29/815058729.db2.gz UPBDTOKNANHQHB-STQMWFEESA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001151073460 815059336 /nfs/dbraw/zinc/05/93/36/815059336.db2.gz LPLDORUUFRXPHB-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151096773 815060150 /nfs/dbraw/zinc/06/01/50/815060150.db2.gz GGLVIDWBCZJETB-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151097261 815060465 /nfs/dbraw/zinc/06/04/65/815060465.db2.gz MFSDUUPGUDTSIB-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001151101126 815061427 /nfs/dbraw/zinc/06/14/27/815061427.db2.gz MZQAYAXQYYDTBW-ZDUSSCGKSA-N 2 0 296.415 -0.296 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001151101154 815061997 /nfs/dbraw/zinc/06/19/97/815061997.db2.gz OBZACDKXJVBXRT-CQSZACIVSA-N 2 0 299.415 -0.016 20 0 CBADRP C[C@H](O)CCC[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151101031 815062722 /nfs/dbraw/zinc/06/27/22/815062722.db2.gz JCBMADCELHSSJU-LBPRGKRZSA-N 2 0 257.378 -0.051 20 0 CBADRP COC[C@H](C)[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151159939 815065928 /nfs/dbraw/zinc/06/59/28/815065928.db2.gz VMQFXYYGZKZJOW-STQMWFEESA-N 2 0 287.404 -0.305 20 0 CBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001072741077 805333364 /nfs/dbraw/zinc/33/33/64/805333364.db2.gz WNHWXNRNXPOXFS-CQSZACIVSA-N 2 0 293.411 -0.145 20 0 CBADRP C[N@H+](CC(=O)N1CC2(C1)CC[NH+](CCO)C2)C1CCC1 ZINC001072817002 805338099 /nfs/dbraw/zinc/33/80/99/805338099.db2.gz LLQVQBRXVDIBLI-UHFFFAOYSA-N 2 0 281.400 -0.003 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001072854368 805340588 /nfs/dbraw/zinc/34/05/88/805340588.db2.gz LIEAVFFFGPOIIQ-ZDUSSCGKSA-N 2 0 281.400 -0.003 20 0 CBADRP CC[C@H](C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(N)=O)C2)[NH+](C)C ZINC001072850938 805341290 /nfs/dbraw/zinc/34/12/90/805341290.db2.gz FCVWBBNNKUUBNJ-VXGBXAGGSA-N 2 0 296.415 -0.265 20 0 CBADRP CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(N)=O)C2)[NH+](C)C ZINC001072989106 805351847 /nfs/dbraw/zinc/35/18/47/805351847.db2.gz FCVWBBNNKUUBNJ-RYUDHWBXSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001073426010 805367077 /nfs/dbraw/zinc/36/70/77/805367077.db2.gz NYJMHLNEOYKBGX-NWDGAFQWSA-N 2 0 294.399 -0.654 20 0 CBADRP COCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073554391 805388681 /nfs/dbraw/zinc/38/86/81/805388681.db2.gz GZYQJKFWNVQMSQ-KGLIPLIRSA-N 2 0 299.415 -0.066 20 0 CBADRP O=C(NC[C@@H]1C[N@H+](CCO)CCCO1)C12CC[NH+](CC1)C2 ZINC001073861533 805421950 /nfs/dbraw/zinc/42/19/50/805421950.db2.gz DZWIOTNMFDCVKJ-CYBMUJFWSA-N 2 0 297.399 -0.718 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](CCO)CCCO2)C1 ZINC001073892024 805423643 /nfs/dbraw/zinc/42/36/43/805423643.db2.gz WTGSQZHUWWLQGE-QWHCGFSZSA-N 2 0 285.388 -0.863 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[NH+](CCO)CCCO2)C1 ZINC001073892023 805423836 /nfs/dbraw/zinc/42/38/36/805423836.db2.gz WTGSQZHUWWLQGE-OLZOCXBDSA-N 2 0 285.388 -0.863 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C)C(N)=O ZINC001074809244 805473619 /nfs/dbraw/zinc/47/36/19/805473619.db2.gz ARCJVIAWRHLNTK-CYDGBPFRSA-N 2 0 296.415 -0.077 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21)[NH+](C)C ZINC001075943109 805544616 /nfs/dbraw/zinc/54/46/16/805544616.db2.gz BSKYFDOVIYGETD-YNEHKIRRSA-N 2 0 269.389 -0.148 20 0 CBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]CC(=O)N(C)C ZINC001152148414 815107560 /nfs/dbraw/zinc/10/75/60/815107560.db2.gz PPWKIYBUNVAWGJ-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]CCn1cncn1 ZINC001152148060 815108473 /nfs/dbraw/zinc/10/84/73/815108473.db2.gz OHSKMNHBVPRVFD-BETUJISGSA-N 2 0 294.403 -0.143 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001152237174 815112765 /nfs/dbraw/zinc/11/27/65/815112765.db2.gz JFQVLJSSVWBFIN-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152236838 815112840 /nfs/dbraw/zinc/11/28/40/815112840.db2.gz GEEXWCXXSKGXDR-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CCN1CCCC1=O ZINC001152433166 815120953 /nfs/dbraw/zinc/12/09/53/815120953.db2.gz WDHMLBIHUFWGHM-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CCCCNC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152439482 815120992 /nfs/dbraw/zinc/12/09/92/815120992.db2.gz NTANDKWKMYGMQO-UHFFFAOYSA-N 2 0 286.420 -0.051 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001152445565 815122244 /nfs/dbraw/zinc/12/22/44/815122244.db2.gz JHQREJSVJCFCTJ-CYBMUJFWSA-N 2 0 297.403 -0.710 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001152451913 815122652 /nfs/dbraw/zinc/12/26/52/815122652.db2.gz MACPZQNZRGHKPJ-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152480590 815124196 /nfs/dbraw/zinc/12/41/96/815124196.db2.gz XMXVZTKZUICBIC-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001152458757 815124323 /nfs/dbraw/zinc/12/43/23/815124323.db2.gz SNXKCTGYWKPUFM-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@@H]1CCNC1=O)[NH+]1CCCC1 ZINC001152471556 815124521 /nfs/dbraw/zinc/12/45/21/815124521.db2.gz MCNKPEDXJRRQEW-OLZOCXBDSA-N 2 0 296.415 -0.299 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccc2ncnn2c1 ZINC001152862004 815139413 /nfs/dbraw/zinc/13/94/13/815139413.db2.gz PGUCVROGYFJNHT-UHFFFAOYSA-N 2 0 275.316 -0.196 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1c1ncnc2c1CC[NH2+]CC2 ZINC001154960490 815253500 /nfs/dbraw/zinc/25/35/00/815253500.db2.gz BOIKNLLJMMVEJS-LBPRGKRZSA-N 2 0 291.399 -0.068 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1c1ncc2c(n1)C[NH2+]C2 ZINC001154966875 815254486 /nfs/dbraw/zinc/25/44/86/815254486.db2.gz FCAWVHBPTYTZBA-LLVKDONJSA-N 2 0 263.345 -0.153 20 0 CBADRP [NH3+]Cc1ccnn1-c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001155125416 815264838 /nfs/dbraw/zinc/26/48/38/815264838.db2.gz YILPURXZKCYXSX-UHFFFAOYSA-N 2 0 286.339 -0.229 20 0 CBADRP [NH3+]Cc1ccnn1-c1ccc(N2CC[NH2+]CC2)nn1 ZINC001155123601 815265010 /nfs/dbraw/zinc/26/50/10/815265010.db2.gz AREHMADXWCLNNM-UHFFFAOYSA-N 2 0 259.317 -0.469 20 0 CBADRP C[NH+]1CCN(c2nccc(-n3nccc3C[NH3+])n2)CC1 ZINC001155130220 815265523 /nfs/dbraw/zinc/26/55/23/815265523.db2.gz GISQAYLAYLGPHA-UHFFFAOYSA-N 2 0 273.344 -0.127 20 0 CBADRP Cc1cnc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)nc1C1C[NH2+]C1 ZINC001155509422 815288747 /nfs/dbraw/zinc/28/87/47/815288747.db2.gz DFBBBGFBSWMCBF-IJLUTSLNSA-N 2 0 275.356 -0.129 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc3c(n2)CC[NH2+]C3)N1 ZINC001155569750 815293458 /nfs/dbraw/zinc/29/34/58/815293458.db2.gz IHIDBKWFPJGGFD-FZMZJTMJSA-N 2 0 273.340 -0.283 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ncc3c(n2)CC[NH2+]C3)N1 ZINC001155570631 815294533 /nfs/dbraw/zinc/29/45/33/815294533.db2.gz NWIGYJXOODKBSE-GWCFXTLKSA-N 2 0 274.328 -0.888 20 0 CBADRP Cc1nc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)cc(N(C)C)[nH+]1 ZINC001155571874 815295307 /nfs/dbraw/zinc/29/53/07/815295307.db2.gz VSIUNQROEXQYBA-RNCFNFMXSA-N 2 0 276.344 -0.159 20 0 CBADRP Cn1cc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C)nn1 ZINC001155789600 815310753 /nfs/dbraw/zinc/31/07/53/815310753.db2.gz FOBCISXXFHWAQL-GFCCVEGCSA-N 2 0 280.376 -0.495 20 0 CBADRP CN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155789188 815311922 /nfs/dbraw/zinc/31/19/22/815311922.db2.gz BGHRKFVJNYDHHW-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001155790692 815312099 /nfs/dbraw/zinc/31/20/99/815312099.db2.gz MDQBPPMNWXDRNA-VHSXEESVSA-N 2 0 256.350 -0.950 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001155791569 815313254 /nfs/dbraw/zinc/31/32/54/815313254.db2.gz WYNGCFUSWCFEJJ-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001155813669 815314722 /nfs/dbraw/zinc/31/47/22/815314722.db2.gz SXPQOGKVSUUCLN-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP [NH3+]CCN(CCO)c1ccc(N2CC[NH2+]CC2)cn1 ZINC001155952424 815325148 /nfs/dbraw/zinc/32/51/48/815325148.db2.gz HQONQEHQXKAKAJ-UHFFFAOYSA-N 2 0 265.361 -0.751 20 0 CBADRP [NH3+]CCN(CCO)c1nccc(N2CCC([NH3+])CC2)n1 ZINC001155952401 815325367 /nfs/dbraw/zinc/32/53/67/815325367.db2.gz GGVIPUWQOMIERA-UHFFFAOYSA-N 2 0 280.376 -0.839 20 0 CBADRP CCN(CC(N)=O)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156200458 815344670 /nfs/dbraw/zinc/34/46/70/815344670.db2.gz MSNOVEQGGPNQPZ-LLVKDONJSA-N 2 0 272.393 -0.360 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC[C@H](n2cncn2)C1 ZINC001160636571 815648069 /nfs/dbraw/zinc/64/80/69/815648069.db2.gz INCBBXLCKGZITH-QWRGUYRKSA-N 2 0 266.349 -0.492 20 0 CBADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001086093230 810241021 /nfs/dbraw/zinc/24/10/21/810241021.db2.gz FGWGCQOYSMELLK-RQJABVFESA-N 2 0 297.399 -0.674 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(N)=O ZINC001086090369 810241611 /nfs/dbraw/zinc/24/16/11/810241611.db2.gz WAQKXLMRQVGAMC-OBPIAQAESA-N 2 0 296.415 -0.315 20 0 CBADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001086093228 810241652 /nfs/dbraw/zinc/24/16/52/810241652.db2.gz FGWGCQOYSMELLK-CRWXNKLISA-N 2 0 297.399 -0.674 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)CC[N@@H+]1C ZINC001086090845 810241815 /nfs/dbraw/zinc/24/18/15/810241815.db2.gz UKQJWILGGBSRBA-FVCCEPFGSA-N 2 0 269.389 -0.197 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001086122481 810242773 /nfs/dbraw/zinc/24/27/73/810242773.db2.gz MUIDTEIIVKIPCB-RVMXOQNASA-N 2 0 296.415 -0.171 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001086122634 810243104 /nfs/dbraw/zinc/24/31/04/810243104.db2.gz SAUNOEVAHDKUAE-FRRDWIJNSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086198367 810249031 /nfs/dbraw/zinc/24/90/31/810249031.db2.gz QYMJANLNGVYRSQ-WISYIIOYSA-N 2 0 282.388 -0.846 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086271907 810254019 /nfs/dbraw/zinc/25/40/19/810254019.db2.gz OCUYRVLWDUCHTA-ZDEQEGDKSA-N 2 0 269.389 -0.197 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001086333373 810260823 /nfs/dbraw/zinc/26/08/23/810260823.db2.gz MQKNFSISLPDFFQ-ZDEQEGDKSA-N 2 0 285.388 -0.818 20 0 CBADRP CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001086333175 810261055 /nfs/dbraw/zinc/26/10/55/810261055.db2.gz HQAHZUBAPUWXJG-SRVKXCTJSA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001086333372 810261164 /nfs/dbraw/zinc/26/11/64/810261164.db2.gz MQKNFSISLPDFFQ-LPWJVIDDSA-N 2 0 285.388 -0.818 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086478504 810273892 /nfs/dbraw/zinc/27/38/92/810273892.db2.gz QYMJANLNGVYRSQ-KKOKHZNYSA-N 2 0 282.388 -0.846 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086534303 810277359 /nfs/dbraw/zinc/27/73/59/810277359.db2.gz AFNVMSDSWYEFHH-AVGNSLFASA-N 2 0 281.400 -0.053 20 0 CBADRP [NH3+]CCc1nccn1-c1ccc(N2CC[NH2+]CC2)nn1 ZINC001156477623 815361269 /nfs/dbraw/zinc/36/12/69/815361269.db2.gz BRLSQSIBPLHSHJ-UHFFFAOYSA-N 2 0 273.344 -0.427 20 0 CBADRP C[C@@H]1CN(c2cncc(N3CC[NH2+]CC3)n2)CC[NH2+]1 ZINC001156691733 815373493 /nfs/dbraw/zinc/37/34/93/815373493.db2.gz BHIBZLKGACEVPY-LLVKDONJSA-N 2 0 262.361 -0.316 20 0 CBADRP CC(C)(C(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O)[NH+]1CCCC1 ZINC001090490665 810508366 /nfs/dbraw/zinc/50/83/66/810508366.db2.gz SUCYSZXOGQHFNB-QWHCGFSZSA-N 2 0 299.415 -0.596 20 0 CBADRP O=C(N[C@H]1CC[N@@H+](CCCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001090731129 810560192 /nfs/dbraw/zinc/56/01/92/810560192.db2.gz PQWLWTMOTVIYOB-QWHCGFSZSA-N 2 0 297.399 -0.984 20 0 CBADRP CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090812227 810570376 /nfs/dbraw/zinc/57/03/76/810570376.db2.gz FXUSMVUSNYFALT-RYUDHWBXSA-N 2 0 255.362 -0.347 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001091059101 810586270 /nfs/dbraw/zinc/58/62/70/810586270.db2.gz CCIDLGKOQQTFEC-WXRRBKDZSA-N 2 0 296.415 -0.170 20 0 CBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001091201437 810597741 /nfs/dbraw/zinc/59/77/41/810597741.db2.gz SIAVEGXDZGIIHR-RUXDESIVSA-N 2 0 299.415 -0.428 20 0 CBADRP NC(=O)C[NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001091326345 810603601 /nfs/dbraw/zinc/60/36/01/810603601.db2.gz ISENKPQCXAJISL-UHFFFAOYSA-N 2 0 280.372 -0.948 20 0 CBADRP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@H+](CCO)C2 ZINC001092203197 810625014 /nfs/dbraw/zinc/62/50/14/810625014.db2.gz HXFMWJAGWMNIEX-HIFRSBDPSA-N 2 0 293.411 -0.145 20 0 CBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092736321 810639795 /nfs/dbraw/zinc/63/97/95/810639795.db2.gz PRDZYRQUFQHWEL-JHJVBQTASA-N 2 0 296.415 -0.360 20 0 CBADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO)C12CC[NH+](CC1)C2 ZINC001096356144 810776335 /nfs/dbraw/zinc/77/63/35/810776335.db2.gz MSVULXJGWVBLHC-AGIUHOORSA-N 2 0 279.384 -0.204 20 0 CBADRP CN1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCO)C1 ZINC001096914532 810789046 /nfs/dbraw/zinc/78/90/46/810789046.db2.gz XNLHWTKHQLBUOZ-FVCCEPFGSA-N 2 0 283.372 -0.969 20 0 CBADRP CN1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO)C1 ZINC001096914046 810789840 /nfs/dbraw/zinc/78/98/40/810789840.db2.gz DHNJGUXDUWOFEH-MQYQWHSLSA-N 2 0 297.399 -0.579 20 0 CBADRP O=C(N1CC([NH2+][C@H]2CCOC2)C1)C12CC[NH+](CC1)C2 ZINC001157012614 815399839 /nfs/dbraw/zinc/39/98/39/815399839.db2.gz JTLSABRPTVCSSY-NSHDSACASA-N 2 0 265.357 -0.329 20 0 CBADRP O=C(N1CC([NH2+][C@@H]2CCOC2)C1)C12CC[NH+](CC1)C2 ZINC001157012613 815400168 /nfs/dbraw/zinc/40/01/68/815400168.db2.gz JTLSABRPTVCSSY-LLVKDONJSA-N 2 0 265.357 -0.329 20 0 CBADRP NS(=O)(=O)c1cccc(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001157101778 815404836 /nfs/dbraw/zinc/40/48/36/815404836.db2.gz NMWGDFDPLKVUCU-UHFFFAOYSA-N 2 0 286.361 -0.596 20 0 CBADRP Cn1nnc2c1ncnc2NC(=[NH2+])NCCCC[NH3+] ZINC001157099571 815405525 /nfs/dbraw/zinc/40/55/25/815405525.db2.gz QMWACVBXMKAJPM-UHFFFAOYSA-N 2 0 263.309 -0.567 20 0 CBADRP COC(=O)[C@@H](CCC[NH3+])Nc1ncnc2c1CC[NH2+]CC2 ZINC001157115040 815406379 /nfs/dbraw/zinc/40/63/79/815406379.db2.gz UGMKVIFVPWJYFH-GFCCVEGCSA-N 2 0 293.371 -0.143 20 0 CBADRP COC(=O)[C@@H](CCC[NH3+])Nc1cc(C[NH3+])ncn1 ZINC001157114127 815406485 /nfs/dbraw/zinc/40/64/85/815406485.db2.gz BAIVTWUXICSPDJ-SECBINFHSA-N 2 0 253.306 -0.372 20 0 CBADRP N=C(Nc1cncc(N2CC[NH2+]CC2)n1)SCC[NH3+] ZINC001157129562 815407720 /nfs/dbraw/zinc/40/77/20/815407720.db2.gz PBZDNFFQYOYCJL-UHFFFAOYSA-N 2 0 281.389 -0.075 20 0 CBADRP CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971097 810980438 /nfs/dbraw/zinc/98/04/38/810980438.db2.gz AMCFVGODDGYRRH-RYUDHWBXSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099973615 810982001 /nfs/dbraw/zinc/98/20/01/810982001.db2.gz GGXNJOUVKHVCJF-QWHCGFSZSA-N 2 0 287.404 -0.738 20 0 CBADRP CCOCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099988245 810986480 /nfs/dbraw/zinc/98/64/80/810986480.db2.gz FTHDRPVOIAXHII-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC)C[C@H]1O ZINC001100064200 811010421 /nfs/dbraw/zinc/01/04/21/811010421.db2.gz JUMSQCIIPUXPBH-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCOC)C[C@@H]1O ZINC001100064170 811010537 /nfs/dbraw/zinc/01/05/37/811010537.db2.gz JHFNJXVKUQLXSW-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076527 811015258 /nfs/dbraw/zinc/01/52/58/811015258.db2.gz MQDZTXUPVRSLRD-RYUDHWBXSA-N 2 0 273.377 -0.864 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCO)C[C@H]1O ZINC001100083260 811017421 /nfs/dbraw/zinc/01/74/21/811017421.db2.gz PETPVYGRKPPADL-CHWSQXEVSA-N 2 0 287.404 -0.738 20 0 CBADRP COCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100109923 811023720 /nfs/dbraw/zinc/02/37/20/811023720.db2.gz MSEGGPRHCKCMJK-ZIAGYGMSSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132557 811027088 /nfs/dbraw/zinc/02/70/88/811027088.db2.gz VQXADHHTRZJLLP-RYUDHWBXSA-N 2 0 257.378 -0.102 20 0 CBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001100185490 811034657 /nfs/dbraw/zinc/03/46/57/811034657.db2.gz CIBDJKWTOJHQAR-MCIGGMRASA-N 2 0 282.388 -0.689 20 0 CBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001100407596 811057020 /nfs/dbraw/zinc/05/70/20/811057020.db2.gz BSDCHOQGXYGMOO-MMWSSPAHSA-N 2 0 296.415 -0.443 20 0 CBADRP C[NH+](C)CCC(=O)NCC1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001100637482 811069699 /nfs/dbraw/zinc/06/96/99/811069699.db2.gz TZAZVXOTITWXRQ-HTAVTVPLSA-N 2 0 282.388 -0.689 20 0 CBADRP C[NH+](C)CCC(=O)NCC1CC([NH2+]CCCO)C1 ZINC001100638698 811071465 /nfs/dbraw/zinc/07/14/65/811071465.db2.gz YZANCLGYQMXCSV-UHFFFAOYSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[C@@H](C(=O)NCC1CC([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001100683629 811072478 /nfs/dbraw/zinc/07/24/78/811072478.db2.gz KTVQUFVPKNRBDV-MCIGGMRASA-N 2 0 284.404 -0.443 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]CCO)C1 ZINC001100831187 811081108 /nfs/dbraw/zinc/08/11/08/811081108.db2.gz JYEDCXDYEJOSIM-UHFFFAOYSA-N 2 0 257.378 -0.195 20 0 CBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001100873081 811082653 /nfs/dbraw/zinc/08/26/53/811082653.db2.gz UDSMDZVULGMFHV-HIFPTAJRSA-N 2 0 296.415 -0.441 20 0 CBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001100890404 811082751 /nfs/dbraw/zinc/08/27/51/811082751.db2.gz ZEVBFMOXJKTRMC-UHFFFAOYSA-N 2 0 298.431 -0.051 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+][C@H](C)C(N)=O)C1 ZINC001100901856 811084894 /nfs/dbraw/zinc/08/48/94/811084894.db2.gz RGVAGALFESKNQQ-VOMCLLRMSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100983944 811088648 /nfs/dbraw/zinc/08/86/48/811088648.db2.gz SXHDTOJPKZXPEU-HIFPTAJRSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100984547 811090086 /nfs/dbraw/zinc/09/00/86/811090086.db2.gz LHDGVZLIHOMAKG-UHFFFAOYSA-N 2 0 282.388 -0.687 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(N)=O)C[C@@]2(C)C1 ZINC001101443586 811103437 /nfs/dbraw/zinc/10/34/37/811103437.db2.gz LJUATIFEFOXIPP-DOMZBBRYSA-N 2 0 296.415 -0.406 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001157334923 815424566 /nfs/dbraw/zinc/42/45/66/815424566.db2.gz ATRCFPWVNGYBIM-VWYCJHECSA-N 2 0 288.367 -0.706 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)CCC[NH2+]C ZINC001157322890 815421983 /nfs/dbraw/zinc/42/19/83/815421983.db2.gz BYNVDHDVQLYOBZ-JTQLQIEISA-N 2 0 258.366 -0.654 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC001157323232 815423121 /nfs/dbraw/zinc/42/31/21/815423121.db2.gz NLUMBPBMCYYNQP-UTUOFQBUSA-N 2 0 284.404 -0.266 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]CC[C@H]1C ZINC001157323297 815423196 /nfs/dbraw/zinc/42/31/96/815423196.db2.gz GCUHFQJBSQJZBR-UTUOFQBUSA-N 2 0 284.404 -0.408 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC001157322992 815423200 /nfs/dbraw/zinc/42/32/00/815423200.db2.gz HOSLHNMOESFFSD-MJVIPROJSA-N 2 0 282.388 -0.654 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC001157323379 815423461 /nfs/dbraw/zinc/42/34/61/815423461.db2.gz OZMKNYWNIOHBAD-GRYCIOLGSA-N 2 0 284.404 -0.266 20 0 CBADRP C[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292518 811147637 /nfs/dbraw/zinc/14/76/37/811147637.db2.gz RAIXEGDTASHROG-JHJVBQTASA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292516 811148447 /nfs/dbraw/zinc/14/84/47/811148447.db2.gz QZERGKLTUYPQTD-VXGBXAGGSA-N 2 0 284.404 -0.502 20 0 CBADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001102475232 811156000 /nfs/dbraw/zinc/15/60/00/811156000.db2.gz FKARJHUKCDWKEU-FRRDWIJNSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513979 811157876 /nfs/dbraw/zinc/15/78/76/811157876.db2.gz HZWQOQQLGIYEHL-CHWSQXEVSA-N 2 0 287.404 -0.759 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001102525037 811158849 /nfs/dbraw/zinc/15/88/49/811158849.db2.gz IZIUEHQXSJZBEP-FRRDWIJNSA-N 2 0 298.431 -0.114 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@H]1C ZINC001102496361 811158941 /nfs/dbraw/zinc/15/89/41/811158941.db2.gz RJDXGFHIHGOGJX-JHJVBQTASA-N 2 0 298.431 -0.114 20 0 CBADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600517 811160490 /nfs/dbraw/zinc/16/04/90/811160490.db2.gz ITWPXICWCTVARM-CHWSQXEVSA-N 2 0 298.431 -0.243 20 0 CBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102782978 811168512 /nfs/dbraw/zinc/16/85/12/811168512.db2.gz SDWZMFFIGVYZKI-UPJWGTAASA-N 2 0 296.415 -0.360 20 0 CBADRP Cc1cc(N(C(=N)N)C(=O)C[C@@H]([NH3+])CCCC[NH3+])n[nH]1 ZINC001157440614 815434054 /nfs/dbraw/zinc/43/40/54/815434054.db2.gz ZXIOXUASBZLZGY-VIFPVBQESA-N 2 0 281.364 -0.209 20 0 CBADRP [NH3+]Cc1cnn(-c2ccc(N3CC[NH2+]CC3)nn2)c1 ZINC001157472221 815436706 /nfs/dbraw/zinc/43/67/06/815436706.db2.gz YWAJBXUGIKQSRR-UHFFFAOYSA-N 2 0 259.317 -0.469 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106340489 811305179 /nfs/dbraw/zinc/30/51/79/811305179.db2.gz ZWZAXEZCVKPECE-VXGBXAGGSA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001106626367 811313340 /nfs/dbraw/zinc/31/33/40/811313340.db2.gz DXDVDLLDUNRIHJ-JHJVBQTASA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CCO ZINC001106882011 811317802 /nfs/dbraw/zinc/31/78/02/811317802.db2.gz ONVAJTDTWZRPHJ-CHWSQXEVSA-N 2 0 287.404 -0.759 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(N)=O ZINC001106981709 811321319 /nfs/dbraw/zinc/32/13/19/811321319.db2.gz ZXTAOOIJBPANGK-GRYCIOLGSA-N 2 0 282.388 -0.893 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(N)=O)[C@H](C)C1 ZINC001107040773 811322842 /nfs/dbraw/zinc/32/28/42/811322842.db2.gz MUJFCJYFGVPTKF-FRRDWIJNSA-N 2 0 298.431 -0.116 20 0 CBADRP CNC(=O)C1CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001157494836 815439032 /nfs/dbraw/zinc/43/90/32/815439032.db2.gz BWGAZZKTWFOMFQ-GFCCVEGCSA-N 2 0 282.388 -0.702 20 0 CBADRP CCCN(CCOC)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157498256 815439682 /nfs/dbraw/zinc/43/96/82/815439682.db2.gz YMGAHHVFSBWCOP-CYBMUJFWSA-N 2 0 286.420 -0.378 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCn2cnnc2C1 ZINC001157506934 815439893 /nfs/dbraw/zinc/43/98/93/815439893.db2.gz BJKKBKKLDBORGY-JTQLQIEISA-N 2 0 266.349 -0.663 20 0 CBADRP CN(CC(F)(F)F)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157519285 815441503 /nfs/dbraw/zinc/44/15/03/815441503.db2.gz MKAAJINOTWZEHI-SSDOTTSWSA-N 2 0 251.252 -0.184 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C[C@H]1F ZINC001157536267 815442072 /nfs/dbraw/zinc/44/20/72/815442072.db2.gz KEDXCKAMCKTIDO-PRJMDXOYSA-N 2 0 251.252 -0.261 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)C[C@H]1F ZINC001157536373 815442335 /nfs/dbraw/zinc/44/23/35/815442335.db2.gz LISMQSIUZOZVAP-BNOWGMLFSA-N 3 0 298.406 -0.042 20 0 CBADRP CN(CC(=O)N1C[C@@H](F)[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC001157538071 815443889 /nfs/dbraw/zinc/44/38/89/815443889.db2.gz GYHXTKWMBNMUQE-MXWKQRLJSA-N 2 0 258.341 -0.822 20 0 CBADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157537610 815444024 /nfs/dbraw/zinc/44/40/24/815444024.db2.gz BVPOOMZPZMGYET-BBBLOLIVSA-N 2 0 289.351 -0.057 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C[C@H]1F ZINC001157537138 815444200 /nfs/dbraw/zinc/44/42/00/815444200.db2.gz YSXYETMYDVCTBW-HPENLJRUSA-N 2 0 257.309 -0.739 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@@H]2CCCCN2[C@H]2CC[NH2+]C2)C[C@H]1F ZINC001157545700 815444966 /nfs/dbraw/zinc/44/49/66/815444966.db2.gz YZHUUCSEPJYZEQ-RNJOBUHISA-N 2 0 284.379 -0.290 20 0 CBADRP [NH3+][C@H]1CN(C(=O)[C@H]2CCCCN2[C@@H]2CC[NH2+]C2)C[C@H]1F ZINC001157545697 815445282 /nfs/dbraw/zinc/44/52/82/815445282.db2.gz YZHUUCSEPJYZEQ-FVCCEPFGSA-N 2 0 284.379 -0.290 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCc2cnccc2C1 ZINC001157566700 815446242 /nfs/dbraw/zinc/44/62/42/815446242.db2.gz DNMNDWSTSGGNFK-ZDUSSCGKSA-N 2 0 272.352 -0.225 20 0 CBADRP C[NH+]1CCN(c2ccc(-n3ccnc3C(N)=[NH2+])nn2)CC1 ZINC001157621717 815448760 /nfs/dbraw/zinc/44/87/60/815448760.db2.gz WNQRKGKPUINOAL-UHFFFAOYSA-N 2 0 286.343 -0.302 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@H]([NH3+])C2CCC3(CC2)OCCO3)C1 ZINC001157651928 815450089 /nfs/dbraw/zinc/45/00/89/815450089.db2.gz SNZAQYGCTJGCED-LLVKDONJSA-N 2 0 283.372 -0.193 20 0 CBADRP CC1([NH3+])CN(C(=O)[C@H]2C[NH2+]CC23CCOCC3)C1 ZINC001157634233 815450177 /nfs/dbraw/zinc/45/01/77/815450177.db2.gz ZCNOCKBIWQFRAC-SNVBAGLBSA-N 2 0 253.346 -0.438 20 0 CBADRP CO[C@H]([C@@H](C)C(=O)N1CC(C)([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC001157643643 815450231 /nfs/dbraw/zinc/45/02/31/815450231.db2.gz FRUVSECXEWFBKW-OUAUKWLOSA-N 2 0 255.362 -0.051 20 0 CBADRP CC1([NH3+])CN(C(=O)C2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC001157650902 815450671 /nfs/dbraw/zinc/45/06/71/815450671.db2.gz HAYUBBNUGBZLRS-GFCCVEGCSA-N 2 0 266.389 -0.380 20 0 CBADRP CC1([NH3+])CN(C(=O)c2cccnc2O[C@@H]2CC[NH2+]C2)C1 ZINC001157665656 815451250 /nfs/dbraw/zinc/45/12/50/815451250.db2.gz ILPVQUVFPYUZLL-SNVBAGLBSA-N 2 0 276.340 -0.005 20 0 CBADRP C[NH+](C)C1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001157681144 815452572 /nfs/dbraw/zinc/45/25/72/815452572.db2.gz FMBFDIUEWKXGIZ-LBPRGKRZSA-N 3 0 266.389 -0.367 20 0 CBADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO ZINC001109980216 811505738 /nfs/dbraw/zinc/50/57/38/811505738.db2.gz LUZOYLDPZJPRQE-RDBSUJKOSA-N 2 0 299.415 -0.332 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CC([NH+](C)C)C1 ZINC001157682004 815453187 /nfs/dbraw/zinc/45/31/87/815453187.db2.gz RFKYJYWUQMLKOZ-LBPRGKRZSA-N 3 0 256.394 -0.182 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCCO1 ZINC001157704268 815454088 /nfs/dbraw/zinc/45/40/88/815454088.db2.gz WJKAAOIFJPZKHM-YRGRVCCFSA-N 2 0 267.373 -0.177 20 0 CBADRP [NH3+][C@@H](C(=O)N1CCOCC(F)(F)C1)C1CC[NH2+]CC1 ZINC001157708465 815455152 /nfs/dbraw/zinc/45/51/52/815455152.db2.gz QONQTIOTASJPJI-SNVBAGLBSA-N 2 0 277.315 -0.193 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@](F)(C(=O)OC)C1 ZINC001157716457 815455743 /nfs/dbraw/zinc/45/57/43/815455743.db2.gz NRLSSCZEXPYVMK-GWCFXTLKSA-N 2 0 289.351 -0.183 20 0 CBADRP COC(=O)[C@@]1(F)CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001157717164 815456438 /nfs/dbraw/zinc/45/64/38/815456438.db2.gz XJWRMLZSOILGIO-JOYOIKCWSA-N 2 0 275.324 -0.444 20 0 CBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001157720337 815456752 /nfs/dbraw/zinc/45/67/52/815456752.db2.gz GXXXHNLJWLKQJI-NWDGAFQWSA-N 3 0 272.393 -0.720 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001157720217 815456781 /nfs/dbraw/zinc/45/67/81/815456781.db2.gz CUHGDTPHYDDQOK-AXFHLTTASA-N 2 0 259.325 -0.619 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)C1CC2(C[NH2+]C2)C1 ZINC001157717364 815456887 /nfs/dbraw/zinc/45/68/87/815456887.db2.gz ZVMZDVKHRJUEGK-NSHDSACASA-N 2 0 253.346 -0.567 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC(F)(F)CC[C@@H]1CO ZINC001157730037 815458193 /nfs/dbraw/zinc/45/81/93/815458193.db2.gz GYWINQOGCYVAML-ZJUUUORDSA-N 2 0 289.326 -0.586 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]2C[NH2+]C[C@H](O)C2)CC1 ZINC001157740628 815460318 /nfs/dbraw/zinc/46/03/18/815460318.db2.gz PLGBHSGXIBLAJL-LOWVWBTDSA-N 2 0 273.352 -0.364 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]2C[NH2+]C[C@@H](O)C2)CC1 ZINC001157740627 815460361 /nfs/dbraw/zinc/46/03/61/815460361.db2.gz PLGBHSGXIBLAJL-GVXVVHGQSA-N 2 0 273.352 -0.364 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]2C[NH2+]CC[C@@H]2O)CC1 ZINC001157740947 815460401 /nfs/dbraw/zinc/46/04/01/815460401.db2.gz RCUZWSQFPRNIRO-MDZLAQPJSA-N 2 0 273.352 -0.364 20 0 CBADRP CN(CC(=O)N1CCC[C@@](F)(C[NH3+])CC1)C(N)=[NH2+] ZINC001157740012 815460739 /nfs/dbraw/zinc/46/07/39/815460739.db2.gz KPZTVLOGRMLYOF-NSHDSACASA-N 2 0 259.329 -0.509 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]([NH3+])Cc1cccc(O)c1 ZINC001157716106 815455638 /nfs/dbraw/zinc/45/56/38/815455638.db2.gz KTXUXCQYLYJNRS-UONOGXRCSA-N 2 0 293.367 -0.291 20 0 CBADRP CO[C@H]1CC[NH2+][C@@H](C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)C1 ZINC001157809993 815468210 /nfs/dbraw/zinc/46/82/10/815468210.db2.gz ILZXGKNJMKQFFL-NOOOWODRSA-N 2 0 255.362 -0.051 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157810281 815468239 /nfs/dbraw/zinc/46/82/39/815468239.db2.gz KOKDCUBLLOPIEA-KKOKHZNYSA-N 2 0 283.372 -0.419 20 0 CBADRP CCn1nnc2c1[C@H](C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1)CNC2 ZINC001157793971 815467007 /nfs/dbraw/zinc/46/70/07/815467007.db2.gz QBLWXRWPKGRIOM-MXWKQRLJSA-N 2 0 292.387 -0.320 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@H]2CNCc3ccnn32)C[C@@H]1[NH3+] ZINC001157792613 815467438 /nfs/dbraw/zinc/46/74/38/815467438.db2.gz CGLDSUKIUANZHR-ADEWGFFLSA-N 2 0 263.345 -0.277 20 0 CBADRP [NH3+]C[C@]1(F)CCCN(C(=O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC001157753858 815461886 /nfs/dbraw/zinc/46/18/86/815461886.db2.gz GVLNCOQGCJHBQH-AAEUAGOBSA-N 2 0 273.352 -0.268 20 0 CBADRP N[C@@]1(C(=O)N2CCC[C@](F)(C[NH3+])CC2)CC[NH2+]C1 ZINC001157743967 815461905 /nfs/dbraw/zinc/46/19/05/815461905.db2.gz JJGWFYIDHNUPPS-NEPJUHHUSA-N 2 0 258.341 -0.643 20 0 CBADRP C[C@@H]1CCN(C(=O)CNC2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001157799318 815468592 /nfs/dbraw/zinc/46/85/92/815468592.db2.gz KEBCHYBCQPRSPM-PWSUYJOCSA-N 2 0 254.378 -0.476 20 0 CBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157841868 815470394 /nfs/dbraw/zinc/47/03/94/815470394.db2.gz IJILCMMMDNDHJU-GRYCIOLGSA-N 3 0 266.389 -0.619 20 0 CBADRP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001157844638 815470831 /nfs/dbraw/zinc/47/08/31/815470831.db2.gz WQGIWQXDKOCOKL-DCAQKATOSA-N 3 0 274.434 -0.409 20 0 CBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC001157843530 815470869 /nfs/dbraw/zinc/47/08/69/815470869.db2.gz SGBLJIWNQVJYRZ-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001114353112 811743880 /nfs/dbraw/zinc/74/38/80/811743880.db2.gz MTFCFKFAVGURAU-XQHKEYJVSA-N 2 0 287.379 -0.295 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001114353109 811744133 /nfs/dbraw/zinc/74/41/33/811744133.db2.gz MTFCFKFAVGURAU-QNWHQSFQSA-N 2 0 287.379 -0.295 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)[NH+](C)C ZINC001114462789 811749971 /nfs/dbraw/zinc/74/99/71/811749971.db2.gz ACLHIBQXNMTNSG-RQJABVFESA-N 2 0 299.415 -0.618 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCCC(=O)[C@@H](F)C1 ZINC001157856502 815473551 /nfs/dbraw/zinc/47/35/51/815473551.db2.gz UXENWXPRESNHMF-UWVGGRQHSA-N 2 0 259.325 -0.028 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157800085 815468415 /nfs/dbraw/zinc/46/84/15/815468415.db2.gz WQHBOSKHCGODKO-WOPDTQHZSA-N 3 0 256.394 -0.101 20 0 CBADRP C[C@@H]1CCN(C(=O)CN(C)[C@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC001157804641 815468424 /nfs/dbraw/zinc/46/84/24/815468424.db2.gz UCZKCWBYMNVGTR-AGIUHOORSA-N 2 0 268.405 -0.134 20 0 CBADRP CO[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)C1 ZINC001157810005 815468437 /nfs/dbraw/zinc/46/84/37/815468437.db2.gz ILZXGKNJMKQFFL-WYUUTHIRSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@@H]1CC[C@H](CO)CN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001157856977 815474853 /nfs/dbraw/zinc/47/48/53/815474853.db2.gz YKYBTEKRVCOGAD-NTZNESFSSA-N 2 0 269.389 -0.067 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001157887184 815477059 /nfs/dbraw/zinc/47/70/59/815477059.db2.gz SCKIZSVLVGQYSA-NWDGAFQWSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@]1(CO)CCCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001157901037 815478600 /nfs/dbraw/zinc/47/86/00/815478600.db2.gz VTHRQQNTHMPUMZ-TZMCWYRMSA-N 2 0 281.400 -0.194 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001157902393 815479527 /nfs/dbraw/zinc/47/95/27/815479527.db2.gz APOIPQKKVIUQAV-GRYCIOLGSA-N 2 0 273.377 -0.966 20 0 CBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157904085 815480407 /nfs/dbraw/zinc/48/04/07/815480407.db2.gz IXPWLJUEBZMVJQ-AVGNSLFASA-N 2 0 297.399 -0.938 20 0 CBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157904087 815480441 /nfs/dbraw/zinc/48/04/41/815480441.db2.gz IXPWLJUEBZMVJQ-RWMBFGLXSA-N 2 0 297.399 -0.938 20 0 CBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157934720 815487500 /nfs/dbraw/zinc/48/75/00/815487500.db2.gz NYDCADLFTXEWEZ-RWMBFGLXSA-N 2 0 297.399 -0.938 20 0 CBADRP C[C@@]1(CO)CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC[C@@H]1O ZINC001157947129 815491004 /nfs/dbraw/zinc/49/10/04/815491004.db2.gz QRJJHENGMLVWLL-GVXVVHGQSA-N 2 0 273.377 -0.966 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@H](O)[C@](C)(CO)C1 ZINC001157948004 815491991 /nfs/dbraw/zinc/49/19/91/815491991.db2.gz YPGPYKFGTANYOJ-SCRDCRAPSA-N 2 0 287.404 -0.705 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157961163 815492983 /nfs/dbraw/zinc/49/29/83/815492983.db2.gz XWCBITPACAJWAU-QWHCGFSZSA-N 2 0 263.341 -0.131 20 0 CBADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157966985 815493099 /nfs/dbraw/zinc/49/30/99/815493099.db2.gz AVNGBFHIPNFSKR-RDBSUJKOSA-N 2 0 275.352 -0.260 20 0 CBADRP N[C@@]1(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)CC[NH2+]C1 ZINC001157971265 815493648 /nfs/dbraw/zinc/49/36/48/815493648.db2.gz WTKUAZZCZYSRMZ-HIFRSBDPSA-N 2 0 274.368 -0.150 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@@](F)(CO)CC1 ZINC001157935902 815488644 /nfs/dbraw/zinc/48/86/44/815488644.db2.gz XHOUUVRMKMWRBT-FZMZJTMJSA-N 2 0 285.363 -0.492 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2n[nH]cc2C1 ZINC001157988294 815496051 /nfs/dbraw/zinc/49/60/51/815496051.db2.gz CRKQOZPVQGVDPL-GFCCVEGCSA-N 2 0 292.387 -0.955 20 0 CBADRP COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001158014473 815498020 /nfs/dbraw/zinc/49/80/20/815498020.db2.gz LXWCVNFICGCPDE-CIUDSAMLSA-N 2 0 261.297 -0.835 20 0 CBADRP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158036858 815500222 /nfs/dbraw/zinc/50/02/22/815500222.db2.gz FQNJDBXYOLAIFT-NEPJUHHUSA-N 2 0 282.388 -0.558 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158077881 815502469 /nfs/dbraw/zinc/50/24/69/815502469.db2.gz YWTCWFOEUYRAOI-VIFPVBQESA-N 2 0 277.315 -0.050 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158082240 815502672 /nfs/dbraw/zinc/50/26/72/815502672.db2.gz MJKUNDQAFMPMCF-WLRWDXFRSA-N 2 0 287.429 -0.188 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(COC2)C1 ZINC001158169680 815508175 /nfs/dbraw/zinc/50/81/75/815508175.db2.gz WZHXLVMJCSRPNL-SNVBAGLBSA-N 2 0 251.330 -0.956 20 0 CBADRP C[NH+]1CCN(c2nccc(-n3cc(CC[NH3+])cn3)n2)CC1 ZINC001158106212 815504349 /nfs/dbraw/zinc/50/43/49/815504349.db2.gz YEHHRMZNSGZNIX-UHFFFAOYSA-N 2 0 287.371 -0.085 20 0 CBADRP [NH3+]CCc1cnn(-c2cncc(N3CC[NH2+]CC3)n2)c1 ZINC001158100572 815504444 /nfs/dbraw/zinc/50/44/44/815504444.db2.gz OLSXWVXPWOGGJO-UHFFFAOYSA-N 2 0 273.344 -0.427 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(COC2)C1 ZINC001158169679 815508372 /nfs/dbraw/zinc/50/83/72/815508372.db2.gz WZHXLVMJCSRPNL-JTQLQIEISA-N 2 0 251.330 -0.956 20 0 CBADRP Cc1nc(CC[NH3+])nn1-c1ncc2c(n1)CC[NH2+]C2 ZINC001158129095 815505878 /nfs/dbraw/zinc/50/58/78/815505878.db2.gz NXRIQNQDFBAYNI-UHFFFAOYSA-N 2 0 259.317 -0.487 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114745733 812156439 /nfs/dbraw/zinc/15/64/39/812156439.db2.gz FMADRJRNPZKHGQ-NDBYEHHHSA-N 2 0 281.400 -0.245 20 0 CBADRP COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750177 812156490 /nfs/dbraw/zinc/15/64/90/812156490.db2.gz CHJZPGYAYBZEQD-CXTNEJHOSA-N 2 0 299.415 -0.618 20 0 CBADRP Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)cn1 ZINC001114774714 812159056 /nfs/dbraw/zinc/15/90/56/812159056.db2.gz SSGWKOGLBGNKPE-NHAGDIPZSA-N 2 0 291.399 -0.082 20 0 CBADRP [NH3+][C@@H](CO)Cc1cncn1-c1ncnc2c1C[NH2+]C2 ZINC001158204957 815514365 /nfs/dbraw/zinc/51/43/65/815514365.db2.gz XXIVCWGUILFPEA-MRVPVSSYSA-N 2 0 260.301 -0.872 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199179 815512508 /nfs/dbraw/zinc/51/25/08/815512508.db2.gz OPKYGMCOBDAVFO-LOWVWBTDSA-N 2 0 253.346 -0.546 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H](C)C(=O)NC)C[C@H]21 ZINC001115161873 812183140 /nfs/dbraw/zinc/18/31/40/812183140.db2.gz OLCGCEDIJPJTRI-CIQGVGRVSA-N 2 0 296.415 -0.491 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12CCOCC2)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158198501 815512664 /nfs/dbraw/zinc/51/26/64/815512664.db2.gz FXGIZARLHKVAAH-RWMBFGLXSA-N 2 0 279.384 -0.035 20 0 CBADRP C[NH+]1CCC(O)(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001158208041 815513586 /nfs/dbraw/zinc/51/35/86/815513586.db2.gz JOCKYDVHHMRMSW-WDEREUQCSA-N 2 0 253.346 -0.594 20 0 CBADRP O=C([C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167446 815508451 /nfs/dbraw/zinc/50/84/51/815508451.db2.gz JJSPWWOBQFTEGG-MEBFFEOJSA-N 2 0 295.383 -0.800 20 0 CBADRP N[C@]1(C(=O)N2CCC3(CCC[NH2+]3)CC2)CCC[NH2+]C1 ZINC001158170092 815509284 /nfs/dbraw/zinc/50/92/84/815509284.db2.gz VJNACCZZMONKML-CQSZACIVSA-N 2 0 266.389 -0.188 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170108 815509372 /nfs/dbraw/zinc/50/93/72/815509372.db2.gz VUDSEKRSNKDFGJ-WLRWDXFRSA-N 2 0 287.429 -0.173 20 0 CBADRP COC(=O)[C@@H](N)CCC(=O)N1CC2CC1(C[NH3+])C2 ZINC001158187472 815510379 /nfs/dbraw/zinc/51/03/79/815510379.db2.gz RGKLPKUBODOIQK-XEVUQIKYSA-N 2 0 255.318 -0.783 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179344 815510429 /nfs/dbraw/zinc/51/04/29/815510429.db2.gz KMUGTBLUYMRUHT-GHMZBOCLSA-N 2 0 283.376 -0.913 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N1C[C@@H]2C(=O)Nc3ccccc3[C@H]2C1 ZINC001158186915 815510510 /nfs/dbraw/zinc/51/05/10/815510510.db2.gz IQNJVMBSIZZYNG-WOPDTQHZSA-N 2 0 288.351 -0.143 20 0 CBADRP C[C@H](CC(N)=O)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC001116287902 812241275 /nfs/dbraw/zinc/24/12/75/812241275.db2.gz DADJUSCIEIGAES-GFCCVEGCSA-N 2 0 256.394 -0.133 20 0 CBADRP O=C([C@H]1C[NH2+]Cc2ccnn2C1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158192887 815511715 /nfs/dbraw/zinc/51/17/15/815511715.db2.gz HVIWDJVZNVZUOQ-WCFLWFBJSA-N 2 0 275.356 -0.435 20 0 CBADRP O=C([C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158215425 815515218 /nfs/dbraw/zinc/51/52/18/815515218.db2.gz MUELONQAPQBYOE-OFTGVCEQSA-N 2 0 265.357 -0.426 20 0 CBADRP O=C(c1noc2c1C[NH2+]CC2)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158231154 815515309 /nfs/dbraw/zinc/51/53/09/815515309.db2.gz GTLAAOYZBITHOI-VHSXEESVSA-N 2 0 262.313 -0.103 20 0 CBADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158335273 815520399 /nfs/dbraw/zinc/52/03/99/815520399.db2.gz QAJKNYDPQCMHKL-XGUBFFRZSA-N 2 0 287.363 -0.193 20 0 CBADRP COCC[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158287793 815518511 /nfs/dbraw/zinc/51/85/11/815518511.db2.gz KCPFCKYKYMNLCV-UHFFFAOYSA-N 2 0 297.403 -0.199 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)N(C)C)CC[N@@H+]1C ZINC001158403275 815526626 /nfs/dbraw/zinc/52/66/26/815526626.db2.gz CHLALSFCFVHCKZ-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001116966143 812350351 /nfs/dbraw/zinc/35/03/51/812350351.db2.gz XYXFNIZXTKUSOC-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP O=C([C@H]1C[NH2+]C[C@@H]1O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158336011 815520943 /nfs/dbraw/zinc/52/09/43/815520943.db2.gz GDHLZBVRUOUROM-XQLPTFJDSA-N 2 0 287.363 -0.336 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158337538 815521802 /nfs/dbraw/zinc/52/18/02/815521802.db2.gz XADMYYRNTMSOPU-MELADBBJSA-N 2 0 274.368 -0.240 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC001117972064 812459891 /nfs/dbraw/zinc/45/98/91/812459891.db2.gz MTNJOAXKBYYSJR-QJPTWQEYSA-N 2 0 282.388 -0.465 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)NCCOCC[NH+](C)C ZINC001117967094 812460187 /nfs/dbraw/zinc/46/01/87/812460187.db2.gz RJCUGGOHADICRY-NSHDSACASA-N 2 0 260.382 -0.138 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(C)(C)C)CC1 ZINC001118059599 812466805 /nfs/dbraw/zinc/46/68/05/812466805.db2.gz PQDCSSUTIUMUJE-GFCCVEGCSA-N 2 0 296.415 -0.251 20 0 CBADRP O=C(N1CCC[C@@H]2[NH2+]C[C@H]21)[C@]12C[NH2+]C[C@H]1COC2 ZINC001158423425 815527867 /nfs/dbraw/zinc/52/78/67/815527867.db2.gz OMZCXZQPWWVXRO-KQXIARHKSA-N 2 0 251.330 -0.815 20 0 CBADRP O=C(N1CCC[C@H]2[NH2+]C[C@@H]21)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158424348 815527894 /nfs/dbraw/zinc/52/78/94/815527894.db2.gz RPHOUZFZTKXFEZ-NRWUCQMLSA-N 3 0 264.373 -0.852 20 0 CBADRP O=C([C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158423116 815527988 /nfs/dbraw/zinc/52/79/88/815527988.db2.gz NGXLHMCLXFFHGQ-FPYNETTCSA-N 2 0 265.357 -0.284 20 0 CBADRP O=C(N1CCC[C@H]2[NH2+]C[C@@H]21)[C@]12C[NH2+]C[C@H]1COC2 ZINC001158423426 815528411 /nfs/dbraw/zinc/52/84/11/815528411.db2.gz OMZCXZQPWWVXRO-NOHGZBONSA-N 2 0 251.330 -0.815 20 0 CBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158422342 815528417 /nfs/dbraw/zinc/52/84/17/815528417.db2.gz KGNDHURDEJXGAD-ZDEQEGDKSA-N 2 0 296.415 -0.173 20 0 CBADRP C[NH2+]CCCNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC001118139631 812477227 /nfs/dbraw/zinc/47/72/27/812477227.db2.gz PWWKNBQMCNFFMP-UHFFFAOYSA-N 2 0 280.376 -0.150 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]([NH3+])CC(F)F)CCO1 ZINC001118140321 812478147 /nfs/dbraw/zinc/47/81/47/812478147.db2.gz LXUXTIXOWAVYQA-XLPZGREQSA-N 2 0 251.277 -0.457 20 0 CBADRP COCC1(CNC(=O)COCC[NH3+])CC[NH2+]CC1 ZINC001118151929 812480472 /nfs/dbraw/zinc/48/04/72/812480472.db2.gz RBPRBHRFRBKYAK-UHFFFAOYSA-N 2 0 259.350 -0.906 20 0 CBADRP CON1CCC([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001118156744 812482311 /nfs/dbraw/zinc/48/23/11/812482311.db2.gz ZJHDWQONNMJCGE-CQSZACIVSA-N 2 0 286.420 -0.790 20 0 CBADRP C[C@H](C[NH3+])C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001118190115 812488152 /nfs/dbraw/zinc/48/81/52/812488152.db2.gz RDLHKQFCYYRNGV-GFCCVEGCSA-N 2 0 256.394 -0.275 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC001118189016 812488706 /nfs/dbraw/zinc/48/87/06/812488706.db2.gz GPBQAVLFFJILFD-AWEZNQCLSA-N 2 0 298.431 -0.491 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001118202414 812494377 /nfs/dbraw/zinc/49/43/77/812494377.db2.gz SXMIIBOLXQWEQH-MRVPVSSYSA-N 2 0 252.322 -0.720 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001118202775 812494631 /nfs/dbraw/zinc/49/46/31/812494631.db2.gz FFASAXKGSQAYER-WDEREUQCSA-N 2 0 268.361 -0.948 20 0 CBADRP O[C@H]1CCC[C@H]1[NH+]1CCN(CCN2CC[NH2+]CC2)CC1 ZINC001118223229 812499146 /nfs/dbraw/zinc/49/91/46/812499146.db2.gz OWNOLKPPBBMXMB-CABCVRRESA-N 2 0 282.432 -0.577 20 0 CBADRP C[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1CC[NH2+]CC1 ZINC001118242461 812505164 /nfs/dbraw/zinc/50/51/64/812505164.db2.gz ZYAKEHWDRKTTQQ-LBPRGKRZSA-N 3 0 268.405 -0.133 20 0 CBADRP C[C@H](C[C@H](C)O)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001118242429 812505454 /nfs/dbraw/zinc/50/54/54/812505454.db2.gz ZDVGOAKNPMCODO-FRRDWIJNSA-N 2 0 259.394 -0.656 20 0 CBADRP C[C@@H](CCCO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001118242155 812505473 /nfs/dbraw/zinc/50/54/73/812505473.db2.gz XFYAUDSTJJHUJF-STQMWFEESA-N 2 0 259.394 -0.655 20 0 CBADRP C[C@@H](CCCO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001118242154 812505759 /nfs/dbraw/zinc/50/57/59/812505759.db2.gz XFYAUDSTJJHUJF-QWHCGFSZSA-N 2 0 259.394 -0.655 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@H](C[NH3+])C1)c1cnn(C)c1 ZINC001118255863 812510138 /nfs/dbraw/zinc/51/01/38/812510138.db2.gz HCFICCQXWPJUTF-KOLCDFICSA-N 2 0 251.334 -0.512 20 0 CBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC001118271231 812515397 /nfs/dbraw/zinc/51/53/97/812515397.db2.gz XJRLXOXVSWUIGN-ZJUUUORDSA-N 2 0 268.365 -0.127 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC001118326315 812530599 /nfs/dbraw/zinc/53/05/99/812530599.db2.gz RTNNMSAMLPKQFH-BETUJISGSA-N 2 0 296.415 -0.441 20 0 CBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](N)CC[NH+](C)C)C1 ZINC001118338010 812534689 /nfs/dbraw/zinc/53/46/89/812534689.db2.gz VXWTZKGERNLUAZ-NWDGAFQWSA-N 2 0 256.394 -0.277 20 0 CBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]2CF)CC1 ZINC001158569090 815538411 /nfs/dbraw/zinc/53/84/11/815538411.db2.gz VSUOJLNQOJNJCR-IJLUTSLNSA-N 3 0 296.390 -0.669 20 0 CBADRP [NH3+]CCCCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001118481941 812553804 /nfs/dbraw/zinc/55/38/04/812553804.db2.gz GSDAWZDQWQADHP-UHFFFAOYSA-N 2 0 268.321 -0.821 20 0 CBADRP CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158505307 815536218 /nfs/dbraw/zinc/53/62/18/815536218.db2.gz AMCZZLGBXYNGOU-ZIAGYGMSSA-N 2 0 299.415 -0.018 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)[C@@H](C[NH3+])C(F)(F)F ZINC001118506358 812562045 /nfs/dbraw/zinc/56/20/45/812562045.db2.gz NVABZNKTMVPYBO-QMMMGPOBSA-N 2 0 268.283 -0.760 20 0 CBADRP COCC[NH2+]CC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118506419 812562291 /nfs/dbraw/zinc/56/22/91/812562291.db2.gz MNCFKEDYDBTHFO-ZDUSSCGKSA-N 2 0 285.388 -0.408 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC001118506811 812562599 /nfs/dbraw/zinc/56/25/99/812562599.db2.gz RXPWKFCBVOJOBM-VIFPVBQESA-N 2 0 266.349 -0.564 20 0 CBADRP O=C(NCCC[NH2+]CCF)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158507053 815536793 /nfs/dbraw/zinc/53/67/93/815536793.db2.gz OWJURANOKPJSIG-RYUDHWBXSA-N 2 0 273.352 -0.085 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)=NO1 ZINC001118506937 812563584 /nfs/dbraw/zinc/56/35/84/812563584.db2.gz SFMIQHGXFRUALZ-ZWNOBZJWSA-N 2 0 266.345 -0.308 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001118510508 812565090 /nfs/dbraw/zinc/56/50/90/812565090.db2.gz HRMGYXUMKLALSV-LLVKDONJSA-N 2 0 284.404 -0.408 20 0 CBADRP c1cn(C[C@@H]2CC[N@@H+](CCN3CC[NH2+]CC3)C2)nn1 ZINC001118568928 812577450 /nfs/dbraw/zinc/57/74/50/812577450.db2.gz KERLVBYJHNYJHJ-CYBMUJFWSA-N 2 0 264.377 -0.495 20 0 CBADRP O=C(C[C@H]1CC[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001118569036 812577615 /nfs/dbraw/zinc/57/76/15/812577615.db2.gz OPZRGFOXCSIFLE-OLZOCXBDSA-N 2 0 266.389 -0.508 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158566259 815537962 /nfs/dbraw/zinc/53/79/62/815537962.db2.gz AKZJVPUZHXUIOT-AXFHLTTASA-N 2 0 287.335 -0.588 20 0 CBADRP [NH3+]CCCCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001118569739 812579202 /nfs/dbraw/zinc/57/92/02/812579202.db2.gz MJSOQJOESGTEOF-UHFFFAOYSA-N 2 0 266.349 -0.329 20 0 CBADRP C[C@@H](C[NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158547412 815538029 /nfs/dbraw/zinc/53/80/29/815538029.db2.gz ONTYWJXUTVKNPS-SBFPOUOMSA-N 2 0 253.346 -0.439 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001118572989 812580153 /nfs/dbraw/zinc/58/01/53/812580153.db2.gz ZDGCXRQQOPLQMG-UONOGXRCSA-N 2 0 298.431 -0.506 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC001118572987 812580953 /nfs/dbraw/zinc/58/09/53/812580953.db2.gz ZDGCXRQQOPLQMG-KGLIPLIRSA-N 2 0 298.431 -0.506 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158566637 815538160 /nfs/dbraw/zinc/53/81/60/815538160.db2.gz BXLYHIGRSQDUCO-OPRDCNLKSA-N 2 0 259.325 -0.769 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)CC[NH2+]C1 ZINC001158546763 815538649 /nfs/dbraw/zinc/53/86/49/815538649.db2.gz LSSPNFQDCWHYIF-QHSBEEBCSA-N 2 0 279.384 -0.035 20 0 CBADRP NC1(C(=O)N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)CC[NH2+]CC1 ZINC001158576189 815539109 /nfs/dbraw/zinc/53/91/09/815539109.db2.gz AFEFFBMWRZAICK-QWRGUYRKSA-N 2 0 284.379 -0.397 20 0 CBADRP N[C@]1(C(=O)N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)CCC[NH2+]C1 ZINC001158578147 815539879 /nfs/dbraw/zinc/53/98/79/815539879.db2.gz KQTGZQHXGZZHEU-COPLHBTASA-N 2 0 284.379 -0.397 20 0 CBADRP C[C@@H]1CN(C)[C@@H](C)CN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001158626070 815540443 /nfs/dbraw/zinc/54/04/43/815540443.db2.gz DDRUVLUEFVHVQO-LOWVWBTDSA-N 2 0 268.405 -0.136 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC1CC[NH2+]CC1 ZINC001118862659 812644392 /nfs/dbraw/zinc/64/43/92/812644392.db2.gz UIAGUYDXSRBAFV-NSHDSACASA-N 2 0 256.350 -0.896 20 0 CBADRP C[C@H](CCC[NH3+])NC(=O)NCC1([NH3+])CCOCC1 ZINC001118920910 812663229 /nfs/dbraw/zinc/66/32/29/812663229.db2.gz GRGCSFYIKCMXMJ-SNVBAGLBSA-N 2 0 258.366 -0.079 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001118932669 812668497 /nfs/dbraw/zinc/66/84/97/812668497.db2.gz RVHBECWIBAHLBN-NEPJUHHUSA-N 2 0 280.372 -0.839 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001118964046 812678032 /nfs/dbraw/zinc/67/80/32/812678032.db2.gz XOWDRZCGEJKZHO-RYUDHWBXSA-N 2 0 282.388 -0.511 20 0 CBADRP [NH3+][C@@H]1CN(c2cncc(N3CC[NH2+]CC3)n2)CC12COC2 ZINC001158763835 815546413 /nfs/dbraw/zinc/54/64/13/815546413.db2.gz ZJSRAFSUEUXBMP-LLVKDONJSA-N 2 0 290.371 -0.950 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001119036142 812695308 /nfs/dbraw/zinc/69/53/08/812695308.db2.gz DXLRWFOFEVFESM-WOPDTQHZSA-N 2 0 282.388 -0.655 20 0 CBADRP C[NH+](C)CCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001119240543 812730379 /nfs/dbraw/zinc/73/03/79/812730379.db2.gz XIIKUNYDTCAYJS-QGZVFWFLSA-N 2 0 261.391 -0.835 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC001119238034 812729264 /nfs/dbraw/zinc/72/92/64/812729264.db2.gz VZCNNDYBDNJYGY-UHFFFAOYSA-N 2 0 267.373 -0.169 20 0 CBADRP C[C@H]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CCN4)CC[C@H]2O1 ZINC001158855183 815549632 /nfs/dbraw/zinc/54/96/32/815549632.db2.gz FNBFBWHRPCYPCU-WHPHWUKISA-N 2 0 279.384 -0.036 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC001119296524 812745287 /nfs/dbraw/zinc/74/52/87/812745287.db2.gz VBFRVVFQYRIXGJ-OLZOCXBDSA-N 2 0 286.395 -0.312 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@H]2CC[NH2+]C23CCC3)nn1 ZINC001119297868 812747104 /nfs/dbraw/zinc/74/71/04/812747104.db2.gz SXUNMRBFSBEZDQ-JTQLQIEISA-N 2 0 264.333 -0.749 20 0 CBADRP [NH3+]CCCC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001119299621 812747703 /nfs/dbraw/zinc/74/77/03/812747703.db2.gz UUKSXVZFVLIOBI-UHFFFAOYSA-N 2 0 264.333 -0.436 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)=NO1 ZINC001119300990 812749039 /nfs/dbraw/zinc/74/90/39/812749039.db2.gz MSFHRDAIQQQGTF-QXEWZRGKSA-N 2 0 252.318 -0.557 20 0 CBADRP c1cc(N2CC[NH2+]CC2)nnc1NC[C@H]1COCC[NH2+]1 ZINC001159042809 815555945 /nfs/dbraw/zinc/55/59/45/815555945.db2.gz LFSOUTIVLGHBPC-NSHDSACASA-N 2 0 278.360 -0.714 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCC1 ZINC001119357568 812765246 /nfs/dbraw/zinc/76/52/46/812765246.db2.gz QNXRPJCGJTZJAX-XYPYZODXSA-N 2 0 282.388 -0.560 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1)C1CC1 ZINC001119355890 812765456 /nfs/dbraw/zinc/76/54/56/812765456.db2.gz ZRSDJBKAJZXSAE-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001119367888 812768455 /nfs/dbraw/zinc/76/84/55/812768455.db2.gz AJKADXQFMMNJON-UPJWGTAASA-N 2 0 296.415 -0.360 20 0 CBADRP CCN(C(=O)C[NH2+]C[C@@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC001119381760 812772946 /nfs/dbraw/zinc/77/29/46/812772946.db2.gz YKEKJLZBELPMKE-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]C[C@H]1CCCN1C(=O)NCCCN1CC[NH2+]CC1 ZINC001119413996 812776355 /nfs/dbraw/zinc/77/63/55/812776355.db2.gz BTNGUJCNUPVSIR-GFCCVEGCSA-N 2 0 269.393 -0.586 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC[N@@H+]1C ZINC001119407222 812777257 /nfs/dbraw/zinc/77/72/57/812777257.db2.gz GLLFUEDLEOXWLW-RWMBFGLXSA-N 2 0 296.415 -0.075 20 0 CBADRP CC(C)([NH3+])CCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001119422260 812781042 /nfs/dbraw/zinc/78/10/42/812781042.db2.gz YVSDAKGETVMNJV-JTQLQIEISA-N 2 0 258.366 -0.520 20 0 CBADRP c1cc(N2CC[NH2+]C3(CC3)C2)nnc1N1CC[NH2+]CC1 ZINC001158932636 815553028 /nfs/dbraw/zinc/55/30/28/815553028.db2.gz AHWNUSIRAPEBLX-UHFFFAOYSA-N 2 0 274.372 -0.172 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)NC/C=C/C[NH3+])C[C@H]1C[NH+](C)C ZINC001119477376 812789749 /nfs/dbraw/zinc/78/97/49/812789749.db2.gz VJXLFVPCIWUZGL-QAMKJQMISA-N 3 0 297.447 -0.118 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC001119501717 812794674 /nfs/dbraw/zinc/79/46/74/812794674.db2.gz DACXCDBPVIYXGY-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP COC[C@H]1CN(C(=O)[C@H]([NH3+])CCC[NH3+])Cc2cn(C)nc21 ZINC001159018294 815555451 /nfs/dbraw/zinc/55/54/51/815555451.db2.gz LEQGZGZFEYJIDL-VXGBXAGGSA-N 2 0 295.387 -0.442 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCCC[NH2+]CC(=O)NC ZINC001159154755 815560507 /nfs/dbraw/zinc/56/05/07/815560507.db2.gz BVJKLSYGGBWCAK-LLVKDONJSA-N 2 0 290.383 -0.492 20 0 CBADRP C[NH+](C)C[C@@H]1NC(=O)N(CCC[NH+]2CCCC2)C1=O ZINC001119693849 812870249 /nfs/dbraw/zinc/87/02/49/812870249.db2.gz SCWWVRFJSUYTMM-NSHDSACASA-N 2 0 268.361 -0.046 20 0 CBADRP O[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1(O)CCOCC1 ZINC001119746339 812881699 /nfs/dbraw/zinc/88/16/99/812881699.db2.gz MLFLTHSOHXIHCC-TUAOUCFPSA-N 2 0 256.346 -0.960 20 0 CBADRP c1ncc(N2CC[NH2+]CC2)nc1NC[C@H]1COCC[NH2+]1 ZINC001159043418 815556530 /nfs/dbraw/zinc/55/65/30/815556530.db2.gz CKDHQTBVNLYPOK-NSHDSACASA-N 2 0 278.360 -0.714 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CCCCC2)C1 ZINC001120130063 812934795 /nfs/dbraw/zinc/93/47/95/812934795.db2.gz UCZBLYMSBOTPMR-GFCCVEGCSA-N 2 0 296.415 -0.168 20 0 CBADRP C(c1nc2c(s1)C[NH2+]CC2)N1CC[NH2+]CC[NH2+]CC1 ZINC001120269081 812945236 /nfs/dbraw/zinc/94/52/36/812945236.db2.gz MSRIJHBGTSAALA-UHFFFAOYSA-N 3 0 281.429 -0.216 20 0 CBADRP C[NH2+]CCN(C)C(=O)NCCN1CCC([NH3+])CC1 ZINC001120557386 812991712 /nfs/dbraw/zinc/99/17/12/812991712.db2.gz IPMLFOVXKXJDHS-UHFFFAOYSA-N 2 0 257.382 -0.730 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001120437353 812965777 /nfs/dbraw/zinc/96/57/77/812965777.db2.gz CLEPEDHFJOINCH-FRRDWIJNSA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)NC2CC[NH2+]CC2)CCOCC1 ZINC001120451343 812968912 /nfs/dbraw/zinc/96/89/12/812968912.db2.gz BVBNUSVMZPJYFU-SNVBAGLBSA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)c2ccn(CCC[NH3+])n2)C1 ZINC001120452228 812969166 /nfs/dbraw/zinc/96/91/66/812969166.db2.gz HXIDGBPKACGOCS-NSHDSACASA-N 2 0 265.361 -0.087 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC001120457109 812969935 /nfs/dbraw/zinc/96/99/35/812969935.db2.gz YUCKDNCGZMOQPL-MDZLAQPJSA-N 2 0 255.362 -0.313 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001120454420 812970264 /nfs/dbraw/zinc/97/02/64/812970264.db2.gz LGLFSFKLGBCOPG-JOCQHMNTSA-N 2 0 296.415 -0.360 20 0 CBADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC001120480732 812972900 /nfs/dbraw/zinc/97/29/00/812972900.db2.gz BQTVFMYCCOXZMQ-CABCVRRESA-N 3 0 284.448 -0.474 20 0 CBADRP CC(C)[NH+]1CCC(O)(C[NH2+]CCS(C)(=O)=O)CC1 ZINC001120500460 812976868 /nfs/dbraw/zinc/97/68/68/812976868.db2.gz NQYGVCUPZOMGNS-UHFFFAOYSA-N 2 0 278.418 -0.144 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001120523620 812982522 /nfs/dbraw/zinc/98/25/22/812982522.db2.gz KQHIYVPTQIUHTG-IJLUTSLNSA-N 2 0 294.399 -0.560 20 0 CBADRP C[C@@H](NC(=O)N1CCNCC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001120537707 812985144 /nfs/dbraw/zinc/98/51/44/812985144.db2.gz HOMGNKDYICTORR-CHWSQXEVSA-N 2 0 283.420 -0.421 20 0 CBADRP Cc1c(CC[NH3+])c(=O)[nH]n1-c1ncnc2c1CC[NH2+]CC2 ZINC001159292117 815567487 /nfs/dbraw/zinc/56/74/87/815567487.db2.gz DLLKKAHTZPQTJN-UHFFFAOYSA-N 2 0 288.355 -0.134 20 0 CBADRP C[NH2+]CCNC(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001120542731 812987464 /nfs/dbraw/zinc/98/74/64/812987464.db2.gz PLFDJHIEIKLMGT-NSHDSACASA-N 2 0 270.377 -0.255 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001120544907 812987520 /nfs/dbraw/zinc/98/75/20/812987520.db2.gz WSXPWBRIBDOGDR-VXGBXAGGSA-N 2 0 269.393 -0.539 20 0 CBADRP N[C@@H](C[NH3+])C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291443 815567615 /nfs/dbraw/zinc/56/76/15/815567615.db2.gz PGXZQAVWWKFUEB-NSHDSACASA-N 2 0 252.362 -0.783 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)N[C@@H](C)CCC[NH3+] ZINC001120545758 812987947 /nfs/dbraw/zinc/98/79/47/812987947.db2.gz LRBYGPAVCFNHQX-WDEREUQCSA-N 2 0 258.366 -0.256 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001120543764 812988008 /nfs/dbraw/zinc/98/80/08/812988008.db2.gz HIJSUJVNCIPOMI-LBPRGKRZSA-N 2 0 271.409 -0.292 20 0 CBADRP [NH3+]CCCOCCNC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001120551167 812988838 /nfs/dbraw/zinc/98/88/38/812988838.db2.gz RQJNCTPCKMKIAZ-HBNTYKKESA-N 2 0 256.350 -0.456 20 0 CBADRP N[C@]1(C(=O)N2CC3(C2)CC[N@H+](CC2CC2)C3)CC[NH2+]C1 ZINC001159291611 815567874 /nfs/dbraw/zinc/56/78/74/815567874.db2.gz QYYLGTVSNXZNNY-OAHLLOKOSA-N 2 0 278.400 -0.379 20 0 CBADRP C[NH+](C)CC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001120556416 812991817 /nfs/dbraw/zinc/99/18/17/812991817.db2.gz YUOKFDJLHSORRY-UHFFFAOYSA-N 2 0 255.362 -0.081 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCO1 ZINC001120579333 812995647 /nfs/dbraw/zinc/99/56/47/812995647.db2.gz QCCQZDLHVFHAFL-IYKVGLELSA-N 2 0 268.361 -0.363 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)NC2CC3(CC([NH3+])C3)C2)CCO1 ZINC001120584375 812995733 /nfs/dbraw/zinc/99/57/33/812995733.db2.gz GFVRLEMWVHJPRR-FOBZMYGMSA-N 2 0 268.361 -0.375 20 0 CBADRP C[C@@H](CC[NH2+]CC1(O)CCS(=O)(=O)CC1)N(C)C ZINC001120583664 812996211 /nfs/dbraw/zinc/99/62/11/812996211.db2.gz XCEAXNARYUCPAU-NSHDSACASA-N 2 0 278.418 -0.144 20 0 CBADRP Cc1cnc(NCCN(C)CC[NH3+])nc1C1C[NH2+]C1 ZINC001159443349 815573762 /nfs/dbraw/zinc/57/37/62/815573762.db2.gz PGHUDFWMUZTBJZ-UHFFFAOYSA-N 2 0 264.377 -0.226 20 0 CBADRP Cc1c(CC[NH3+])c(=O)[nH]n1-c1ncc2c(n1)C[NH2+]C2 ZINC001159293685 815568824 /nfs/dbraw/zinc/56/88/24/815568824.db2.gz NBTDFRMSTDDJTD-UHFFFAOYSA-N 2 0 260.301 -0.219 20 0 CBADRP [NH3+]CCCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001120625501 813001514 /nfs/dbraw/zinc/00/15/14/813001514.db2.gz JMOSPLLVZPSPAK-VXGBXAGGSA-N 2 0 270.377 -0.424 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001120630365 813001697 /nfs/dbraw/zinc/00/16/97/813001697.db2.gz OZMAYGNNNIDZAC-QJPTWQEYSA-N 2 0 252.362 -0.011 20 0 CBADRP CCO[C@@H](CNC(=O)N[C@H](C)CC[NH3+])C[NH+](C)C ZINC001120630507 813001866 /nfs/dbraw/zinc/00/18/66/813001866.db2.gz BYZFORWMGFGODE-MNOVXSKESA-N 2 0 260.382 -0.010 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NCCOCCC[NH3+] ZINC001120638223 813005425 /nfs/dbraw/zinc/00/54/25/813005425.db2.gz LALFCASWFLAWGM-MNOVXSKESA-N 2 0 258.366 -0.494 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC001120650007 813006609 /nfs/dbraw/zinc/00/66/09/813006609.db2.gz XPSFSIAQAMKZOK-GFCCVEGCSA-N 2 0 269.393 -0.458 20 0 CBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1CCNCC[NH2+]CC1 ZINC001120670107 813008684 /nfs/dbraw/zinc/00/86/84/813008684.db2.gz AMZFKWAYBVPRFI-GRYCIOLGSA-N 2 0 267.377 -0.916 20 0 CBADRP CN(CC[NH3+])CCNc1nccc(N2CCC([NH3+])CC2)n1 ZINC001159438184 815572713 /nfs/dbraw/zinc/57/27/13/815572713.db2.gz RGJDCGKDYHALOV-UHFFFAOYSA-N 2 0 293.419 -0.294 20 0 CBADRP C[NH+](C)CCCC(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC001121663591 813073754 /nfs/dbraw/zinc/07/37/54/813073754.db2.gz OSHDVJWFPPQJLR-UHFFFAOYSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC001121810420 813077689 /nfs/dbraw/zinc/07/76/89/813077689.db2.gz JEMOPWKOZVSROB-IJLUTSLNSA-N 2 0 252.362 -0.805 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2[NH2+]CC23CCOCC3)C1 ZINC001121827092 813078596 /nfs/dbraw/zinc/07/85/96/813078596.db2.gz RICZMEQBXSVSSK-SDDRHHMPSA-N 2 0 267.373 -0.049 20 0 CBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NCCC[NH+]1CCC(O)CC1 ZINC001121903068 813087412 /nfs/dbraw/zinc/08/74/12/813087412.db2.gz BQUCFFQDXXYZFY-HNNXBMFYSA-N 2 0 299.415 -0.546 20 0 CBADRP C[NH+](C)CCCCNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001121909503 813088944 /nfs/dbraw/zinc/08/89/44/813088944.db2.gz SWZMLRMSIRZMQD-LLVKDONJSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)O)C[NH+]1CCCC1 ZINC001121911212 813089071 /nfs/dbraw/zinc/08/90/71/813089071.db2.gz QZYKVWKJURJCSY-WDEREUQCSA-N 2 0 257.378 -0.067 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001121909459 813089113 /nfs/dbraw/zinc/08/91/13/813089113.db2.gz RQGCWWYJVZUAGN-NWDGAFQWSA-N 2 0 282.388 -0.748 20 0 CBADRP C[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)O)C[NH+]1CCCC1 ZINC001121911210 813089163 /nfs/dbraw/zinc/08/91/63/813089163.db2.gz QZYKVWKJURJCSY-GHMZBOCLSA-N 2 0 257.378 -0.067 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001121909456 813089303 /nfs/dbraw/zinc/08/93/03/813089303.db2.gz RQAIWXSRVJLBCJ-ZBOXLXRLSA-N 2 0 255.362 -0.456 20 0 CBADRP CC[N@H+](CCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1)C(C)C ZINC001121917806 813089829 /nfs/dbraw/zinc/08/98/29/813089829.db2.gz ZBCBYPJOOWFWEK-YPMHNXCESA-N 2 0 257.378 -0.054 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001121937511 813093661 /nfs/dbraw/zinc/09/36/61/813093661.db2.gz NFDDPSIZCCQMSL-IVZWLZJFSA-N 2 0 257.334 -0.476 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001121937513 813093739 /nfs/dbraw/zinc/09/37/39/813093739.db2.gz NFDDPSIZCCQMSL-KXUCPTDWSA-N 2 0 257.334 -0.476 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)C1CC([NH3+])C1 ZINC001121943608 813094683 /nfs/dbraw/zinc/09/46/83/813094683.db2.gz KSNQBGARYSGLLI-WNYYMSAVSA-N 2 0 252.362 -0.677 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)C1CC([NH3+])C1 ZINC001121943609 813095346 /nfs/dbraw/zinc/09/53/46/813095346.db2.gz KSNQBGARYSGLLI-XKGSQUFQSA-N 2 0 252.362 -0.677 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001121990091 813100955 /nfs/dbraw/zinc/10/09/55/813100955.db2.gz ZGLNTKMROYFNSM-LKSINWNRSA-N 2 0 269.389 -0.067 20 0 CBADRP C[NH+](C)[C@]1(CNC(=O)CNCC[NH3+])CCSC1 ZINC001121990160 813101269 /nfs/dbraw/zinc/10/12/69/813101269.db2.gz BWPJLTLXAPOGFR-NSHDSACASA-N 2 0 260.407 -0.912 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)C12CC(C1)C[NH2+]2 ZINC001121991245 813101853 /nfs/dbraw/zinc/10/18/53/813101853.db2.gz OMYGECDJHULSHJ-UHFFFAOYSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001121999915 813102489 /nfs/dbraw/zinc/10/24/89/813102489.db2.gz AXBKHXATDZYDKM-IVZWLZJFSA-N 2 0 268.361 -0.951 20 0 CBADRP C[NH+](C)C1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001122010077 813103529 /nfs/dbraw/zinc/10/35/29/813103529.db2.gz JPDGLHJHAXJMOB-ZDUSSCGKSA-N 2 0 296.415 -0.264 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001122010811 813103901 /nfs/dbraw/zinc/10/39/01/813103901.db2.gz ZTXFXWAZMPUQPX-UVYIHGJDSA-N 2 0 269.389 -0.056 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC001122024276 813106631 /nfs/dbraw/zinc/10/66/31/813106631.db2.gz UATZYPNMAMIQKW-RKDXNWHRSA-N 2 0 262.304 -0.997 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC001122024275 813106657 /nfs/dbraw/zinc/10/66/57/813106657.db2.gz UATZYPNMAMIQKW-IUCAKERBSA-N 2 0 262.304 -0.997 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H]1COC2(C[NH2+]C2)C1)[NH+](C)C ZINC001122064135 813111429 /nfs/dbraw/zinc/11/14/29/813111429.db2.gz UJWOBICEGZDRRW-GHMZBOCLSA-N 2 0 255.362 -0.180 20 0 CBADRP C[C@@H]1CCN(C(=O)C2(C[NH3+])CC(O)C2)C[C@H]1C[NH3+] ZINC001122067541 813111728 /nfs/dbraw/zinc/11/17/28/813111728.db2.gz HEVAFUUGVUHVOA-IXYVEGFRSA-N 2 0 255.362 -0.471 20 0 CBADRP CC(C)[C@H](C(=O)N[C@@H]1COC2(C[NH2+]C2)C1)[NH+](C)C ZINC001122064138 813111784 /nfs/dbraw/zinc/11/17/84/813111784.db2.gz UJWOBICEGZDRRW-WDEREUQCSA-N 2 0 255.362 -0.180 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC2CC1(C[NH3+])C2 ZINC001122067721 813111975 /nfs/dbraw/zinc/11/19/75/813111975.db2.gz APWSWOSQVPMVFQ-WDBLDGLGSA-N 2 0 264.373 -0.676 20 0 CBADRP C[C@H]1CCN(C(=O)C2(C[NH3+])CC(O)C2)C[C@@H]1C[NH3+] ZINC001122067543 813112014 /nfs/dbraw/zinc/11/20/14/813112014.db2.gz HEVAFUUGVUHVOA-QKIYJJFGSA-N 2 0 255.362 -0.471 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001122075297 813112786 /nfs/dbraw/zinc/11/27/86/813112786.db2.gz KHMJRSAMRCMJKP-DMDPSCGWSA-N 2 0 255.362 -0.300 20 0 CBADRP [NH3+][C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)c1cccc(Cl)c1 ZINC001122076642 813112805 /nfs/dbraw/zinc/11/28/05/813112805.db2.gz BWFPVMIWICYJPZ-VWYCJHECSA-N 2 0 269.732 -0.211 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC001122079897 813114176 /nfs/dbraw/zinc/11/41/76/813114176.db2.gz TXVXWXZLHBACRE-MDZLAQPJSA-N 2 0 252.362 -0.757 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC001122079900 813114699 /nfs/dbraw/zinc/11/46/99/813114699.db2.gz TXVXWXZLHBACRE-WZRBSPASSA-N 2 0 252.362 -0.757 20 0 CBADRP [NH3+]CCNCC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001122079505 813114848 /nfs/dbraw/zinc/11/48/48/813114848.db2.gz OCZGXGVUMWVTHF-CYBMUJFWSA-N 2 0 268.405 -0.227 20 0 CBADRP O=C(N1CCC[C@@H]([NH2+]CCO)C1)[C@]12C[C@H]1CCC[NH2+]2 ZINC001122094782 813115534 /nfs/dbraw/zinc/11/55/34/813115534.db2.gz PHXVSPYXRAPQGT-BZPMIXESSA-N 2 0 267.373 -0.299 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(CC[NH3+])cc1 ZINC001122099385 813116525 /nfs/dbraw/zinc/11/65/25/813116525.db2.gz GQUQPOAAGXNTLY-ZDUSSCGKSA-N 2 0 265.357 -0.160 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NC1(C[NH3+])CCOCC1 ZINC001122096073 813116568 /nfs/dbraw/zinc/11/65/68/813116568.db2.gz NTPDZDAIRLBKKH-GHMZBOCLSA-N 2 0 255.362 -0.144 20 0 CBADRP C[C@@H]([NH3+])CONC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC001122100058 813116810 /nfs/dbraw/zinc/11/68/10/813116810.db2.gz QVIWRFNGNPNKMI-SFYZADRCSA-N 2 0 253.306 -0.505 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001122099696 813116872 /nfs/dbraw/zinc/11/68/72/813116872.db2.gz JEQYEBXXYIYPLI-UTUOFQBUSA-N 2 0 257.378 -0.102 20 0 CBADRP [NH3+][C@@H](CC(=O)N1CC[NH2+]C[C@H]1CO)c1ccccc1 ZINC001122124120 813120030 /nfs/dbraw/zinc/12/00/30/813120030.db2.gz GQFFARFUZRLKPZ-STQMWFEESA-N 2 0 263.341 -0.131 20 0 CBADRP [NH3+][C@@H](CC(=O)N1CC[NH2+]C[C@@H]1CO)c1ccccc1 ZINC001122124118 813120252 /nfs/dbraw/zinc/12/02/52/813120252.db2.gz GQFFARFUZRLKPZ-OLZOCXBDSA-N 2 0 263.341 -0.131 20 0 CBADRP [NH3+][C@H](CO)C(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC001122123093 813120260 /nfs/dbraw/zinc/12/02/60/813120260.db2.gz NGDXXXGAQMNJHG-MNOVXSKESA-N 2 0 255.362 -0.265 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC001122136583 813122316 /nfs/dbraw/zinc/12/23/16/813122316.db2.gz NKIQLTGZAONBIL-QWHCGFSZSA-N 2 0 269.389 -0.066 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)C12CCC[NH+]1CCC2 ZINC001122142224 813122939 /nfs/dbraw/zinc/12/29/39/813122939.db2.gz LKKXIITYUSOAKH-NSHDSACASA-N 2 0 265.357 -0.138 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)N[C@H]2COC3(C[NH2+]C3)C2)C1(F)F ZINC001122143962 813123537 /nfs/dbraw/zinc/12/35/37/813123537.db2.gz RVBUIYHNGRZKOF-BWZBUEFSSA-N 2 0 261.272 -0.927 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001122144153 813123612 /nfs/dbraw/zinc/12/36/12/813123612.db2.gz VJWITJPPHLXYRA-OFIBSPLFSA-N 2 0 269.389 -0.056 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)[C@H]1CC[NH2+]1)C2 ZINC001122144739 813124053 /nfs/dbraw/zinc/12/40/53/813124053.db2.gz DNWVHYSOQZZTNK-WTBMIXGQSA-N 2 0 267.329 -0.913 20 0 CBADRP [NH3+]C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)C1CCCCCC1 ZINC001122155735 813124645 /nfs/dbraw/zinc/12/46/45/813124645.db2.gz BHAFMTGIPYTTMK-XQQFMLRXSA-N 2 0 269.389 -0.019 20 0 CBADRP CC1(C)CN(C(=O)C[NH+]2CCC(CO)CC2)C[C@H]1[NH3+] ZINC001122162055 813125613 /nfs/dbraw/zinc/12/56/13/813125613.db2.gz DCPFBENMVWWSMZ-GFCCVEGCSA-N 2 0 269.389 -0.114 20 0 CBADRP [NH3+][C@H]1CC=C(C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC001122157902 813125742 /nfs/dbraw/zinc/12/57/42/813125742.db2.gz XUZPPDCMWKBMJQ-LBPRGKRZSA-N 2 0 252.362 -0.427 20 0 CBADRP [NH3+]CCNCC(=O)N1CCCc2cccc(C[NH3+])c21 ZINC001122165398 813126802 /nfs/dbraw/zinc/12/68/02/813126802.db2.gz CXUKMMXNPCAEBG-UHFFFAOYSA-N 2 0 262.357 -0.027 20 0 CBADRP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C[C@H](O)C[NH3+] ZINC001122339808 813149241 /nfs/dbraw/zinc/14/92/41/813149241.db2.gz HHFQIAAHKXTUCY-NEPJUHHUSA-N 2 0 257.378 -0.115 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1[NH2+]CC12CCCC2 ZINC001122171070 813127254 /nfs/dbraw/zinc/12/72/54/813127254.db2.gz APYMCNCBRNIRED-GHMZBOCLSA-N 2 0 253.346 -0.377 20 0 CBADRP O=C(N1CCNCC[NH2+]CC1)C12CC[NH+](CC1)C2 ZINC001122201143 813132016 /nfs/dbraw/zinc/13/20/16/813132016.db2.gz UONXECKUJXVELY-UHFFFAOYSA-N 2 0 252.362 -0.896 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001122230637 813136079 /nfs/dbraw/zinc/13/60/79/813136079.db2.gz HWNVACKXYYECRT-UPJWGTAASA-N 2 0 296.415 -0.455 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C[C@H]1CC[NH3+] ZINC001122230886 813136558 /nfs/dbraw/zinc/13/65/58/813136558.db2.gz PEYYPAZJYCTGIW-DCQANWLSSA-N 2 0 255.362 -0.457 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)C[C@H]1CC[NH3+] ZINC001122230887 813136707 /nfs/dbraw/zinc/13/67/07/813136707.db2.gz PEYYPAZJYCTGIW-HNCHTBHHSA-N 2 0 255.362 -0.457 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCCN1CCC([NH3+])CC1 ZINC001122238827 813136934 /nfs/dbraw/zinc/13/69/34/813136934.db2.gz IWWSBMNAIMZUAD-JQWIXIFHSA-N 2 0 256.394 -0.101 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001122237455 813137289 /nfs/dbraw/zinc/13/72/89/813137289.db2.gz ZMFBRAKHDFYJHU-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@H](Nc1cc(C2C[NH2+]C2)ncn1)[C@H]1C[NH2+]CCO1 ZINC001159502962 815579334 /nfs/dbraw/zinc/57/93/34/815579334.db2.gz RHFDWHJKSWMSSY-JOYOIKCWSA-N 2 0 263.345 -0.048 20 0 CBADRP C[NH2+]CCN(C(=O)c1cn(CCC[NH3+])nn1)C(C)C ZINC001122254194 813138426 /nfs/dbraw/zinc/13/84/26/813138426.db2.gz LYIVUOSVPYMWPV-UHFFFAOYSA-N 2 0 268.365 -0.303 20 0 CBADRP CC(C)([NH3+])C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001122278148 813139539 /nfs/dbraw/zinc/13/95/39/813139539.db2.gz VCCIYLVVBLBQQA-VIFPVBQESA-N 2 0 269.345 -0.475 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC001122291588 813140466 /nfs/dbraw/zinc/14/04/66/813140466.db2.gz MDRQSEFIUBZWIJ-QRMWWUJWSA-N 2 0 267.373 -0.169 20 0 CBADRP CC[C@]1(C(=O)N2CCNCC[NH2+]CC2)CC[NH2+]C1 ZINC001122288097 813140651 /nfs/dbraw/zinc/14/06/51/813140651.db2.gz NHDFEEWEPITYJA-ZDUSSCGKSA-N 2 0 254.378 -0.603 20 0 CBADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCNCC[NH2+]CC1 ZINC001122288339 813140763 /nfs/dbraw/zinc/14/07/63/813140763.db2.gz SAEOBZJBKYJPHD-WCQYABFASA-N 2 0 252.362 -0.993 20 0 CBADRP CN1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC[N@H+](C)CC1 ZINC001122291347 813141097 /nfs/dbraw/zinc/14/10/97/813141097.db2.gz RFCFYTFMFWJIGT-HNNXBMFYSA-N 2 0 298.431 -0.803 20 0 CBADRP C[C@H](Nc1cc(C2C[NH2+]C2)ncn1)[C@@H]1C[NH2+]CCO1 ZINC001159502961 815579708 /nfs/dbraw/zinc/57/97/08/815579708.db2.gz RHFDWHJKSWMSSY-CABZTGNLSA-N 2 0 263.345 -0.048 20 0 CBADRP C[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)CC[C@H]1C[NH3+] ZINC001122295166 813141800 /nfs/dbraw/zinc/14/18/00/813141800.db2.gz FELSNFNQTBJSIR-GRYCIOLGSA-N 2 0 255.362 -0.192 20 0 CBADRP COCC[C@H]([NH3+])C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001122295869 813142044 /nfs/dbraw/zinc/14/20/44/813142044.db2.gz DINFPJRSAOWUQW-NSHDSACASA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NC[C@H]1CCCCC[NH2+]1 ZINC001122306655 813142617 /nfs/dbraw/zinc/14/26/17/813142617.db2.gz KMTLFYXINLLBDH-GFCCVEGCSA-N 2 0 254.378 -0.460 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001122303685 813143053 /nfs/dbraw/zinc/14/30/53/813143053.db2.gz GUZOYPDBMOZMQU-VXGBXAGGSA-N 2 0 256.394 -0.086 20 0 CBADRP O=C(COC1CC[NH2+]CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001122301633 813143186 /nfs/dbraw/zinc/14/31/86/813143186.db2.gz JIRLZYULJPLAGZ-NWDGAFQWSA-N 2 0 267.373 -0.177 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@]23CCC[C@H]2C[NH2+]C3)=NO1 ZINC001122348770 813150947 /nfs/dbraw/zinc/15/09/47/813150947.db2.gz IMDPWPJZLCGHBU-AUTRQRHGSA-N 2 0 252.318 -0.652 20 0 CBADRP [NH3+]CC1([C@H]2CCCCN2C(=O)[C@H]([NH3+])CO)CCC1 ZINC001122361516 813153195 /nfs/dbraw/zinc/15/31/95/813153195.db2.gz DXWRRJGPCXSGEC-GHMZBOCLSA-N 2 0 255.362 -0.184 20 0 CBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001122387770 813157234 /nfs/dbraw/zinc/15/72/34/813157234.db2.gz VVRSUXHSFVRJRM-ZWNOBZJWSA-N 2 0 267.373 -0.036 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[NH2+]CCO1 ZINC001122384559 813157269 /nfs/dbraw/zinc/15/72/69/813157269.db2.gz ONSPDQUBBLDXDI-WGBDABJCSA-N 2 0 269.345 -1.000 20 0 CBADRP CC(C)([NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001122442412 813165404 /nfs/dbraw/zinc/16/54/04/813165404.db2.gz OVPKVAOJWCUIJE-WDEREUQCSA-N 2 0 255.362 -0.219 20 0 CBADRP C[C@H](NC(=O)[C@@H]([NH3+])C1CCC1)[C@H]1C[N@H+](C)CCN1C ZINC001122447913 813165803 /nfs/dbraw/zinc/16/58/03/813165803.db2.gz HZYPOPWYNFXXEW-UHTWSYAYSA-N 2 0 268.405 -0.136 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001122474671 813168339 /nfs/dbraw/zinc/16/83/39/813168339.db2.gz HGOGCOOOZWJJAT-LBPRGKRZSA-N 2 0 267.373 -0.036 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2c(n1)OCC(=O)N2 ZINC001159785649 815594938 /nfs/dbraw/zinc/59/49/38/815594938.db2.gz RPUPFXGLWNUYSF-MRVPVSSYSA-N 2 0 251.290 -0.152 20 0 CBADRP CCN(C(=O)C[C@H]1COCC[NH2+]1)C1CC[NH2+]CC1 ZINC001122496030 813170592 /nfs/dbraw/zinc/17/05/92/813170592.db2.gz MTIJFOAPTPZEML-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CCC[NH2+]CC1 ZINC001122494607 813170876 /nfs/dbraw/zinc/17/08/76/813170876.db2.gz HLUPRCSZPYYFOW-VXGBXAGGSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001122535761 813174310 /nfs/dbraw/zinc/17/43/10/813174310.db2.gz HGMUJJUOBVVYPL-GRYCIOLGSA-N 2 0 253.346 -0.594 20 0 CBADRP C[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)[C@@H]1C[N@H+](C)CCN1C ZINC001122540105 813174612 /nfs/dbraw/zinc/17/46/12/813174612.db2.gz AQRVWEKPNBVLCM-SRVKXCTJSA-N 2 0 268.405 -0.265 20 0 CBADRP C[C@H](NC(=O)[C@H]1[NH2+]CC1(C)C)[C@@H]1C[N@H+](C)CCN1C ZINC001122540103 813174858 /nfs/dbraw/zinc/17/48/58/813174858.db2.gz AQRVWEKPNBVLCM-SDDRHHMPSA-N 2 0 268.405 -0.265 20 0 CBADRP NC(=O)c1cc(N[C@H]([NH3+])CCC[NH3+])nc(C2CC2)n1 ZINC001159790014 815596073 /nfs/dbraw/zinc/59/60/73/815596073.db2.gz ZSIGQDWFMMLMBQ-VIFPVBQESA-N 2 0 264.333 -0.112 20 0 CBADRP CCOC(=O)c1nccc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159788839 815596191 /nfs/dbraw/zinc/59/61/91/815596191.db2.gz NHYCPVVSHVWXAL-QMMMGPOBSA-N 2 0 253.306 -0.489 20 0 CBADRP NC(=O)[C@@H]1CCCN1c1cc(N[C@@H]([NH3+])CCC[NH3+])ncn1 ZINC001159790026 815596206 /nfs/dbraw/zinc/59/62/06/815596206.db2.gz ZUZOJCOTCDSDFS-VHSXEESVSA-N 2 0 293.375 -0.634 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NCC[C@@H]2CCC[NH2+]CC2)=NO1 ZINC001122595902 813178582 /nfs/dbraw/zinc/17/85/82/813178582.db2.gz TUYFIIKDBMCPHF-MNOVXSKESA-N 2 0 268.361 -0.014 20 0 CBADRP Cc1cnc(N[C@H]([NH3+])CCC[NH3+])nc1C1C[NH2+]C1 ZINC001159788113 815596584 /nfs/dbraw/zinc/59/65/84/815596584.db2.gz HMBWBAQMVUEPCD-JTQLQIEISA-N 3 0 250.350 -0.093 20 0 CBADRP C[C@H](O)C[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159854985 815601346 /nfs/dbraw/zinc/60/13/46/815601346.db2.gz YUJFHNXNDYNJJX-NSHDSACASA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001123658653 813256931 /nfs/dbraw/zinc/25/69/31/813256931.db2.gz RPBYQGYOTHHJLD-AGIUHOORSA-N 2 0 268.405 -0.169 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001123878686 813285704 /nfs/dbraw/zinc/28/57/04/813285704.db2.gz ZQEFHJFRTOLGRT-TUAOUCFPSA-N 2 0 254.378 -0.559 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@](O)(C[NH+](C)C)C1)[NH+](C)C ZINC001123952206 813299914 /nfs/dbraw/zinc/29/99/14/813299914.db2.gz CPKYDCWUIQLWFC-AAEUAGOBSA-N 2 0 257.378 -0.148 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001124838265 813485058 /nfs/dbraw/zinc/48/50/58/813485058.db2.gz UTTJZXHTQOBFFL-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001124866583 813489100 /nfs/dbraw/zinc/48/91/00/813489100.db2.gz GKDIGTXLDWCGDV-ZIAGYGMSSA-N 2 0 299.415 -0.018 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001124867018 813490179 /nfs/dbraw/zinc/49/01/79/813490179.db2.gz PZUKSCVJTUYLIW-UONOGXRCSA-N 2 0 299.415 -0.018 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001124873585 813493417 /nfs/dbraw/zinc/49/34/17/813493417.db2.gz ZFHOTOCFYBLFLW-WDEREUQCSA-N 2 0 268.361 -0.935 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001124878761 813493863 /nfs/dbraw/zinc/49/38/63/813493863.db2.gz OIDLNAFMAQKMRR-LLVKDONJSA-N 2 0 266.349 -0.922 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124877730 813494322 /nfs/dbraw/zinc/49/43/22/813494322.db2.gz IJZCCNJEYPAQKD-GFCCVEGCSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001124877052 813494388 /nfs/dbraw/zinc/49/43/88/813494388.db2.gz BBKHXRVFIDZGCS-QWRGUYRKSA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001124877049 813495102 /nfs/dbraw/zinc/49/51/02/813495102.db2.gz BBKHXRVFIDZGCS-GHMZBOCLSA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001124877050 813495115 /nfs/dbraw/zinc/49/51/15/813495115.db2.gz BBKHXRVFIDZGCS-MNOVXSKESA-N 2 0 270.377 -0.737 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124877590 813495128 /nfs/dbraw/zinc/49/51/28/813495128.db2.gz GZVPTUGKJGDGMJ-GFCCVEGCSA-N 2 0 273.377 -0.551 20 0 CBADRP COc1cncc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001124879529 813495406 /nfs/dbraw/zinc/49/54/06/813495406.db2.gz VPEDAAXPSWAWKH-LBPRGKRZSA-N 2 0 293.371 -0.215 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001127065846 813709089 /nfs/dbraw/zinc/70/90/89/813709089.db2.gz FYETYRJCVMRYEL-OLZOCXBDSA-N 2 0 296.415 -0.156 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnnn1C ZINC001127067497 813709479 /nfs/dbraw/zinc/70/94/79/813709479.db2.gz YKUNCVFCBGPCHK-ZDUSSCGKSA-N 2 0 294.403 -0.106 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127065680 813710074 /nfs/dbraw/zinc/71/00/74/813710074.db2.gz CWTIHIRIXRCMTE-OLZOCXBDSA-N 2 0 287.404 -0.428 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001127082560 813712102 /nfs/dbraw/zinc/71/21/02/813712102.db2.gz UYEGNLNFDAJZRH-CHWSQXEVSA-N 2 0 296.415 -0.204 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127474699 813732218 /nfs/dbraw/zinc/73/22/18/813732218.db2.gz NWAOHUXBHGDZJW-ZDUSSCGKSA-N 2 0 296.415 -0.488 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127481501 813733605 /nfs/dbraw/zinc/73/36/05/813733605.db2.gz UJIDMPJYJQMPCT-AWEZNQCLSA-N 2 0 299.415 -0.303 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001127480501 813734262 /nfs/dbraw/zinc/73/42/62/813734262.db2.gz KLNDBIHRZPKNAE-RYUDHWBXSA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@@H](O)C[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127558920 813735250 /nfs/dbraw/zinc/73/52/50/813735250.db2.gz VMWNLMBCAIJTMM-LLVKDONJSA-N 2 0 283.376 -0.855 20 0 CBADRP C[NH+](C)CCn1ccc(C(=O)NCC[NH2+]CCCO)n1 ZINC001127563000 813735427 /nfs/dbraw/zinc/73/54/27/813735427.db2.gz RUXJIMILYKFPDR-UHFFFAOYSA-N 2 0 283.376 -0.854 20 0 CBADRP COC[C@@H](C)[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127562988 813735492 /nfs/dbraw/zinc/73/54/92/813735492.db2.gz RIEBZEFNVBREBZ-GFCCVEGCSA-N 2 0 297.403 -0.201 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001127643797 813738489 /nfs/dbraw/zinc/73/84/89/813738489.db2.gz LOVBLTYOBYXGHT-IJLUTSLNSA-N 2 0 284.404 -0.491 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC001127639053 813738641 /nfs/dbraw/zinc/73/86/41/813738641.db2.gz SPGBAPZWYCUEOQ-IJLUTSLNSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCN2CCNC2=O)CC[N@@H+]1C ZINC001127638611 813740244 /nfs/dbraw/zinc/74/02/44/813740244.db2.gz NKJPRIZYBOLPCX-VXGBXAGGSA-N 2 0 297.403 -0.942 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127689915 813741221 /nfs/dbraw/zinc/74/12/21/813741221.db2.gz BMNXSWKXSIIBOH-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H]2CCCNC2=O)CC[N@@H+]1C ZINC001127701469 813742613 /nfs/dbraw/zinc/74/26/13/813742613.db2.gz PPFOYHNTCAMNJP-RWMBFGLXSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC1CC1 ZINC001127653373 813742680 /nfs/dbraw/zinc/74/26/80/813742680.db2.gz UPPXIUJZIOFPBA-NQBHXWOUSA-N 2 0 296.415 -0.301 20 0 CBADRP CC(C)[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127760109 813746798 /nfs/dbraw/zinc/74/67/98/813746798.db2.gz DJFPPVMCYDIFHM-VXGBXAGGSA-N 2 0 255.362 -0.036 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]C[C@H](C)O ZINC001128533756 813779067 /nfs/dbraw/zinc/77/90/67/813779067.db2.gz RHDDTQSCMRIBFU-WDEREUQCSA-N 2 0 263.357 -0.247 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H](CC)C(N)=O ZINC001128784098 813798746 /nfs/dbraw/zinc/79/87/46/813798746.db2.gz LDSLVGUGCSQKOD-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCOCCO ZINC001128786813 813799242 /nfs/dbraw/zinc/79/92/42/813799242.db2.gz WIAHGWWBGYIKJF-CYBMUJFWSA-N 2 0 287.404 -0.425 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCO ZINC001128787247 813799391 /nfs/dbraw/zinc/79/93/91/813799391.db2.gz XRTKJFZMTDFADV-LBPRGKRZSA-N 2 0 257.378 -0.051 20 0 CBADRP CC(C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129219877 813825464 /nfs/dbraw/zinc/82/54/64/813825464.db2.gz LTOMNGJSOYUQTH-OLZOCXBDSA-N 2 0 294.403 -0.020 20 0 CBADRP C[NH+](C)C1(C(=O)NCC[NH2+][C@H]2CCCNC2=O)CCC1 ZINC001129357529 813839682 /nfs/dbraw/zinc/83/96/82/813839682.db2.gz NSRULLXCTIGVSI-NSHDSACASA-N 2 0 282.388 -0.545 20 0 CBADRP C[NH+](C)C1(C(=O)NCC[NH2+][C@H]2CCNC2=O)CCC1 ZINC001129358030 813839786 /nfs/dbraw/zinc/83/97/86/813839786.db2.gz POCJARZMSIIPAR-JTQLQIEISA-N 2 0 268.361 -0.935 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC)C[C@@H]1n1ccnn1 ZINC001129369939 813839823 /nfs/dbraw/zinc/83/98/23/813839823.db2.gz KMETUZCRUBLWQS-OLZOCXBDSA-N 2 0 294.403 -0.019 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129358546 813839991 /nfs/dbraw/zinc/83/99/91/813839991.db2.gz UEDPDBIGQDQQEE-LLVKDONJSA-N 2 0 273.377 -0.816 20 0 CBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC(=O)NCC1CC1)C1CC1 ZINC001129436080 813842541 /nfs/dbraw/zinc/84/25/41/813842541.db2.gz MHXRBALTYPGOPD-AWEZNQCLSA-N 2 0 296.415 -0.441 20 0 CBADRP CN1CCC[C@H]([NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1=O ZINC001129435913 813842605 /nfs/dbraw/zinc/84/26/05/813842605.db2.gz JWXCZUYXDVBCNL-STQMWFEESA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129436715 813842722 /nfs/dbraw/zinc/84/27/22/813842722.db2.gz RUQKKJCBZVYMRR-FZMZJTMJSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCC1)C1CC1 ZINC001129436562 813844178 /nfs/dbraw/zinc/84/41/78/813844178.db2.gz RAWJQRGAQQGNJT-CYBMUJFWSA-N 2 0 282.388 -0.735 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129444660 813844594 /nfs/dbraw/zinc/84/45/94/813844594.db2.gz WTHLIPMSBQHMRY-CQSZACIVSA-N 2 0 298.431 -0.195 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129437216 813844779 /nfs/dbraw/zinc/84/47/79/813844779.db2.gz XWMZQNUWINKYSO-AWEZNQCLSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129444542 813845238 /nfs/dbraw/zinc/84/52/38/813845238.db2.gz UVBNPOCHYVUBJC-ONGXEEELSA-N 2 0 270.377 -0.833 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CCn1cccn1)C1CC1 ZINC001129443333 813846187 /nfs/dbraw/zinc/84/61/87/813846187.db2.gz IXWOSFJHQWTSAJ-CYBMUJFWSA-N 2 0 279.388 -0.071 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C)C(=O)N(C)C ZINC001129444680 813846269 /nfs/dbraw/zinc/84/62/69/813846269.db2.gz WZIUOSDNIDLEOW-ZYHUDNBSSA-N 2 0 284.404 -0.491 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129531652 813848818 /nfs/dbraw/zinc/84/88/18/813848818.db2.gz DKAKVMUGCKUTFO-UHFFFAOYSA-N 2 0 270.377 -0.687 20 0 CBADRP C[N@H+](CC(=O)NCC[NH2+]CC(=O)N1CCC1)C1CCC1 ZINC001129527006 813849158 /nfs/dbraw/zinc/84/91/58/813849158.db2.gz XAKATBMHJINHIY-UHFFFAOYSA-N 2 0 282.388 -0.591 20 0 CBADRP C[N@H+](CC(=O)NCC[NH2+][C@H]1CCNC1=O)C1CCC1 ZINC001129532164 813850425 /nfs/dbraw/zinc/85/04/25/813850425.db2.gz SYKQKTLDGPFBMI-NSHDSACASA-N 2 0 268.361 -0.935 20 0 CBADRP COCCOCC[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129531716 813850744 /nfs/dbraw/zinc/85/07/44/813850744.db2.gz HEPKKHVVPYZPOG-UHFFFAOYSA-N 2 0 287.404 -0.161 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001129531625 813850943 /nfs/dbraw/zinc/85/09/43/813850943.db2.gz CHPJNXLQMLDENT-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CN1CC[C@@H]([NH2+]CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC001129839516 813869802 /nfs/dbraw/zinc/86/98/02/813869802.db2.gz AWROBTJDMYBMBZ-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1)[NH+](C)C ZINC001129949989 813881394 /nfs/dbraw/zinc/88/13/94/813881394.db2.gz NJLNSUUVPDORTA-AAEUAGOBSA-N 2 0 298.431 -0.055 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129946919 813881639 /nfs/dbraw/zinc/88/16/39/813881639.db2.gz AJKNMNNYQASSSL-NSHDSACASA-N 2 0 258.366 -0.976 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129949242 813882460 /nfs/dbraw/zinc/88/24/60/813882460.db2.gz ACSRQUDVUDLSJL-MNOVXSKESA-N 2 0 272.393 -0.587 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947123 813882621 /nfs/dbraw/zinc/88/26/21/813882621.db2.gz KWNNVCPYJWEQRH-ZDUSSCGKSA-N 2 0 286.420 -0.195 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001129947127 813882831 /nfs/dbraw/zinc/88/28/31/813882831.db2.gz KZLRIRZFDSZNKF-PWSUYJOCSA-N 2 0 298.387 -0.916 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130171599 813913089 /nfs/dbraw/zinc/91/30/89/813913089.db2.gz VECMWXJYFJDNGG-ZDUSSCGKSA-N 2 0 299.415 -0.425 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001130171066 813913625 /nfs/dbraw/zinc/91/36/25/813913625.db2.gz FXYZLVRXLREKTK-NSHDSACASA-N 2 0 282.388 -0.558 20 0 CBADRP O=C(NCC[NH2+]CCO)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130188574 813916375 /nfs/dbraw/zinc/91/63/75/813916375.db2.gz GQKUHCVGEUBFBL-NEPJUHHUSA-N 2 0 255.362 -0.299 20 0 CBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001130201003 813916419 /nfs/dbraw/zinc/91/64/19/813916419.db2.gz RZGNNIYTANCPPZ-VXGBXAGGSA-N 2 0 286.420 -0.053 20 0 CBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)N(CC)CC)[NH+](C)C ZINC001130197493 813916882 /nfs/dbraw/zinc/91/68/82/813916882.db2.gz JLKMZMFRPNCTEO-GFCCVEGCSA-N 2 0 286.420 -0.099 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130189966 813917134 /nfs/dbraw/zinc/91/71/34/813917134.db2.gz UJMNJCWOCWCLSV-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130296660 813922850 /nfs/dbraw/zinc/92/28/50/813922850.db2.gz AFSDNQZWSHMQDP-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001130297714 813923831 /nfs/dbraw/zinc/92/38/31/813923831.db2.gz QBIGRLJTTAHREC-LBPRGKRZSA-N 2 0 282.388 -0.545 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001130297732 813923920 /nfs/dbraw/zinc/92/39/20/813923920.db2.gz QGUNAUAKWSYZEY-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001130297713 813925181 /nfs/dbraw/zinc/92/51/81/813925181.db2.gz QBIGRLJTTAHREC-GFCCVEGCSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001130300854 813925198 /nfs/dbraw/zinc/92/51/98/813925198.db2.gz WHUMYMJPNOEBCT-UWVGGRQHSA-N 2 0 256.350 -0.950 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001130303772 813925488 /nfs/dbraw/zinc/92/54/88/813925488.db2.gz JLUXVRWYMKKHSB-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130297729 813925392 /nfs/dbraw/zinc/92/53/92/813925392.db2.gz QGSJPEZDIDFURV-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CN1CCC[C@@H]([NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1=O ZINC001130300873 813925506 /nfs/dbraw/zinc/92/55/06/813925506.db2.gz WUPZLSXFSBDBJV-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001130427930 813937859 /nfs/dbraw/zinc/93/78/59/813937859.db2.gz VRFLBUUCRILIDX-LLVKDONJSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001130419141 813938715 /nfs/dbraw/zinc/93/87/15/813938715.db2.gz MQLWHWSAEIANTB-UHFFFAOYSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001130428013 813939748 /nfs/dbraw/zinc/93/97/48/813939748.db2.gz YTMNKNZSMUBGBS-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001130711086 813968431 /nfs/dbraw/zinc/96/84/31/813968431.db2.gz MXXXWCLTZSUZSB-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001130711448 813968691 /nfs/dbraw/zinc/96/86/91/813968691.db2.gz VPCWEGCZFQRMBG-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130808774 813983813 /nfs/dbraw/zinc/98/38/13/813983813.db2.gz QSYWAVLBDASXHP-GFCCVEGCSA-N 2 0 285.388 -0.672 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1)C(N)=O ZINC001130870401 813988974 /nfs/dbraw/zinc/98/89/74/813988974.db2.gz UNAGJXUXGWOZCK-VIFPVBQESA-N 2 0 275.312 -0.473 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130869619 813989117 /nfs/dbraw/zinc/98/91/17/813989117.db2.gz CNYROGXTZIROBG-CYBMUJFWSA-N 2 0 292.339 -0.339 20 0 CBADRP O=C(NCC[NH2+][C@@H]1CCNC1=O)c1ccn2c[nH+]cc2c1 ZINC001130867832 813990014 /nfs/dbraw/zinc/99/00/14/813990014.db2.gz PVPGGHQVYRVBND-GFCCVEGCSA-N 2 0 287.323 -0.458 20 0 CBADRP O=C(NCC[NH2+][C@H]1CCNC1=O)c1ccn2c[nH+]cc2c1 ZINC001130867833 813990065 /nfs/dbraw/zinc/99/00/65/813990065.db2.gz PVPGGHQVYRVBND-LBPRGKRZSA-N 2 0 287.323 -0.458 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1)C(N)=O ZINC001131374521 814024124 /nfs/dbraw/zinc/02/41/24/814024124.db2.gz DXXMRWQGJLFXRM-GFCCVEGCSA-N 2 0 289.339 -0.082 20 0 CBADRP CCC[N@@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131381371 814027864 /nfs/dbraw/zinc/02/78/64/814027864.db2.gz LPWIORQHVVGWAI-UHFFFAOYSA-N 2 0 298.431 -0.001 20 0 CBADRP O=C(NCC[NH2+]CCF)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520499 814037982 /nfs/dbraw/zinc/03/79/82/814037982.db2.gz ZRQWGKTVDPFABC-QWKFWESOSA-N 2 0 271.336 -0.475 20 0 CBADRP COCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519837 814038288 /nfs/dbraw/zinc/03/82/88/814038288.db2.gz KSIKRETXGZMBBH-JVWICGRDSA-N 2 0 297.399 -0.408 20 0 CBADRP O=C(NCC[NH2+]CCCF)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519652 814038384 /nfs/dbraw/zinc/03/83/84/814038384.db2.gz IRKPZSZPSLNXSD-LXVYMNJGSA-N 2 0 285.363 -0.085 20 0 CBADRP CC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131521598 814038610 /nfs/dbraw/zinc/03/86/10/814038610.db2.gz CMSSBCLVVFGTAB-QWKFWESOSA-N 2 0 253.346 -0.425 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790001 814069703 /nfs/dbraw/zinc/06/97/03/814069703.db2.gz CRIFXVBPPGBOLI-UONOGXRCSA-N 2 0 299.415 -0.426 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790748 814069934 /nfs/dbraw/zinc/06/99/34/814069934.db2.gz USZGJHBWDDZFGA-LBPRGKRZSA-N 2 0 268.361 -0.948 20 0 CBADRP C[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C(N)=O ZINC001131790103 814070156 /nfs/dbraw/zinc/07/01/56/814070156.db2.gz GEMZGJQLSKAEMQ-CMPLNLGQSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH+](C)CCc1ccccc1C(=O)NCC[NH2+]CC(N)=O ZINC001131799521 814072573 /nfs/dbraw/zinc/07/25/73/814072573.db2.gz QPMLLPSKWCCXQL-UHFFFAOYSA-N 2 0 292.383 -0.405 20 0 CBADRP COC[C@H](O)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283902 814120515 /nfs/dbraw/zinc/12/05/15/814120515.db2.gz NULVBBBOWMGRHN-GFCCVEGCSA-N 2 0 287.404 -0.426 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283945 814121004 /nfs/dbraw/zinc/12/10/04/814121004.db2.gz PMQNZCCXDDBMAH-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283903 814121031 /nfs/dbraw/zinc/12/10/31/814121031.db2.gz NULVBBBOWMGRHN-LBPRGKRZSA-N 2 0 287.404 -0.426 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)C1 ZINC001132738048 814181983 /nfs/dbraw/zinc/18/19/83/814181983.db2.gz UMLGPNXDTOLGTF-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001132736917 814182099 /nfs/dbraw/zinc/18/20/99/814182099.db2.gz GDRQNYHGZWCRMD-STQMWFEESA-N 2 0 296.415 -0.297 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001132736915 814182576 /nfs/dbraw/zinc/18/25/76/814182576.db2.gz GDRQNYHGZWCRMD-OLZOCXBDSA-N 2 0 296.415 -0.297 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)C)C1 ZINC001132738346 814182739 /nfs/dbraw/zinc/18/27/39/814182739.db2.gz ZOXFZUDLZSIWGA-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC)C1 ZINC001132738394 814182818 /nfs/dbraw/zinc/18/28/18/814182818.db2.gz BJAAKNFEKYMQDX-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790772 814189331 /nfs/dbraw/zinc/18/93/31/814189331.db2.gz KFVZQANUBAYNSA-CYBMUJFWSA-N 2 0 296.415 -0.025 20 0 CBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCOC2)C1 ZINC001132848850 814193673 /nfs/dbraw/zinc/19/36/73/814193673.db2.gz UHDWIFPKDXDNGA-UONOGXRCSA-N 2 0 299.415 -0.162 20 0 CBADRP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H](C)O)C1 ZINC001132848349 814194184 /nfs/dbraw/zinc/19/41/84/814194184.db2.gz GBYSEKSPLNQVMZ-NEPJUHHUSA-N 2 0 273.377 -0.818 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132893626 814199943 /nfs/dbraw/zinc/19/99/43/814199943.db2.gz WGNLQWRDAWEJSJ-TUAOUCFPSA-N 2 0 284.404 -0.443 20 0 CBADRP C[NH+](C)Cc1ccoc1C(=O)NCC[NH2+]CCOCCO ZINC001132983941 814204012 /nfs/dbraw/zinc/20/40/12/814204012.db2.gz QUGNGRXOVBMDCU-UHFFFAOYSA-N 2 0 299.371 -0.331 20 0 CBADRP C[NH+](C)Cc1ccoc1C(=O)NCC[NH2+]CCO ZINC001132985534 814204062 /nfs/dbraw/zinc/20/40/62/814204062.db2.gz HWGAEYAHAAHDKK-UHFFFAOYSA-N 2 0 255.318 -0.347 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132985626 814205190 /nfs/dbraw/zinc/20/51/90/814205190.db2.gz LFBJXULNADNEAG-SNVBAGLBSA-N 2 0 296.371 -0.205 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132983991 814205481 /nfs/dbraw/zinc/20/54/81/814205481.db2.gz ULXYXYCNCRMFSW-UHFFFAOYSA-N 2 0 296.371 -0.203 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CCn2cccn2)CC1 ZINC001132994836 814205872 /nfs/dbraw/zinc/20/58/72/814205872.db2.gz DHDVLZRLYJZEOH-UHFFFAOYSA-N 2 0 279.388 -0.069 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132995284 814206873 /nfs/dbraw/zinc/20/68/73/814206873.db2.gz QCWDULRFEWQANS-JTQLQIEISA-N 2 0 270.377 -0.832 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001132995049 814207143 /nfs/dbraw/zinc/20/71/43/814207143.db2.gz KBJZGYDNJDUOGV-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001132995505 814207473 /nfs/dbraw/zinc/20/74/73/814207473.db2.gz VYLDWSWPGSLVBK-JTQLQIEISA-N 2 0 270.377 -0.702 20 0 CBADRP Cn1cncc1C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993548 814207823 /nfs/dbraw/zinc/20/78/23/814207823.db2.gz YFNIBYLMZZWPAH-UHFFFAOYSA-N 2 0 279.388 -0.032 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040292 814213007 /nfs/dbraw/zinc/21/30/07/814213007.db2.gz KHDCPPLYSJWEQE-UHFFFAOYSA-N 2 0 286.420 -0.098 20 0 CBADRP C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C[NH2+]CC(N)=O ZINC001133073602 814213337 /nfs/dbraw/zinc/21/33/37/814213337.db2.gz WGOKVSROEDIBAD-STQMWFEESA-N 2 0 298.431 -0.112 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001133224779 814232535 /nfs/dbraw/zinc/23/25/35/814232535.db2.gz DVQJOBALEWTGKP-OLZOCXBDSA-N 2 0 298.431 -0.112 20 0 CBADRP Cc1cnc(C[NH2+]CCNC(=O)CC[NH+](C)C)cn1 ZINC001133290785 814235149 /nfs/dbraw/zinc/23/51/49/814235149.db2.gz BYTOLDSMSQWAOJ-UHFFFAOYSA-N 2 0 265.361 -0.057 20 0 CBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CCN2CCCC2=O)CC1 ZINC001133281697 814235478 /nfs/dbraw/zinc/23/54/78/814235478.db2.gz ICVWXSPTZDLILV-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001133281706 814235529 /nfs/dbraw/zinc/23/55/29/814235529.db2.gz IKKCPHQQZRIHIE-NSHDSACASA-N 2 0 270.377 -0.702 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133281955 814236170 /nfs/dbraw/zinc/23/61/70/814236170.db2.gz VCUGCYXJVIJTLS-UHFFFAOYSA-N 2 0 298.431 -0.194 20 0 CBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CCS(C)(=O)=O)CC1 ZINC001133285848 814236467 /nfs/dbraw/zinc/23/64/67/814236467.db2.gz LJWHQLBTMJREGS-UHFFFAOYSA-N 2 0 291.417 -0.921 20 0 CBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NC2CC2)CC1 ZINC001133287337 814236629 /nfs/dbraw/zinc/23/66/29/814236629.db2.gz IDIXINVEXPCLBR-UHFFFAOYSA-N 2 0 282.388 -0.687 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001133294975 814239013 /nfs/dbraw/zinc/23/90/13/814239013.db2.gz YHKFNDAWQJSDBP-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001133294833 814239072 /nfs/dbraw/zinc/23/90/72/814239072.db2.gz WIZAUQXHXVOGEC-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP Cc1nc(C)n(CC[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133298089 814239698 /nfs/dbraw/zinc/23/96/98/814239698.db2.gz YLJLGTNFNKQXLL-UHFFFAOYSA-N 2 0 282.392 -0.448 20 0 CBADRP CC(C)[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001133434160 814252942 /nfs/dbraw/zinc/25/29/42/814252942.db2.gz JESBILYVUAZCSJ-VXGBXAGGSA-N 2 0 286.420 -0.245 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C(N)=O ZINC001133433686 814254275 /nfs/dbraw/zinc/25/42/75/814254275.db2.gz AJKHNWMSQJYSGL-GHMZBOCLSA-N 2 0 272.393 -0.458 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC)[NH+](CC)CC ZINC001133690231 814287488 /nfs/dbraw/zinc/28/74/88/814287488.db2.gz JQNBDLZZZKGACH-NEPJUHHUSA-N 2 0 286.420 -0.053 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133819738 814299869 /nfs/dbraw/zinc/29/98/69/814299869.db2.gz MZOIDAFOERSIRK-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)C(N)=O ZINC001133823632 814301404 /nfs/dbraw/zinc/30/14/04/814301404.db2.gz KUUFFURSVCIINR-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001133823986 814301752 /nfs/dbraw/zinc/30/17/52/814301752.db2.gz VASRHQUWIALZRQ-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133823402 814302237 /nfs/dbraw/zinc/30/22/37/814302237.db2.gz FNXQJOCZASAIJA-GHMZBOCLSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CCN1CCCC1=O ZINC001133824138 814302371 /nfs/dbraw/zinc/30/23/71/814302371.db2.gz YOKKGYGBXXHJRP-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)C(N)=O ZINC001133823631 814303075 /nfs/dbraw/zinc/30/30/75/814303075.db2.gz KUUFFURSVCIINR-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP CC[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)C(N)=O ZINC001133823630 814303485 /nfs/dbraw/zinc/30/34/85/814303485.db2.gz KUUFFURSVCIINR-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001133845637 814306343 /nfs/dbraw/zinc/30/63/43/814306343.db2.gz KIECXTQFUHSBEA-NWDGAFQWSA-N 2 0 282.388 -0.687 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845574 814306417 /nfs/dbraw/zinc/30/64/17/814306417.db2.gz IWSYTKNKRRBIPI-GHMZBOCLSA-N 2 0 270.377 -0.832 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001133845555 814306646 /nfs/dbraw/zinc/30/66/46/814306646.db2.gz INBYRSHANBVSGN-LBPRGKRZSA-N 2 0 296.415 -0.440 20 0 CBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133846333 814307566 /nfs/dbraw/zinc/30/75/66/814307566.db2.gz YZWFXLIEPDWKGH-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133846297 814308777 /nfs/dbraw/zinc/30/87/77/814308777.db2.gz YECCYPKNSVKIPQ-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CCn2cncn2)C1 ZINC001133846343 814309302 /nfs/dbraw/zinc/30/93/02/814309302.db2.gz ZDSCACRPMCTVOS-LBPRGKRZSA-N 2 0 280.376 -0.674 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845650 814309449 /nfs/dbraw/zinc/30/94/49/814309449.db2.gz KQOGTPXZEUIFJH-GFCCVEGCSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001133863215 814309893 /nfs/dbraw/zinc/30/98/93/814309893.db2.gz KIEVYTZEPVEJRB-VXGBXAGGSA-N 2 0 280.376 -0.818 20 0 CBADRP COCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133863841 814312170 /nfs/dbraw/zinc/31/21/70/814312170.db2.gz PZJGWEGRBQMANO-RYUDHWBXSA-N 2 0 257.378 -0.074 20 0 CBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133863320 814312436 /nfs/dbraw/zinc/31/24/36/814312436.db2.gz LDGIAOSRDHZXLG-CHWSQXEVSA-N 2 0 298.431 -0.338 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cnn(C)c1 ZINC001133867039 814313444 /nfs/dbraw/zinc/31/34/44/814313444.db2.gz QSDXUCMAVPVUTJ-WCQYABFASA-N 2 0 279.388 -0.176 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001133868154 814313758 /nfs/dbraw/zinc/31/37/58/814313758.db2.gz ZXRVVEYEVVUKCJ-VXGBXAGGSA-N 2 0 282.388 -0.878 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133867607 814315022 /nfs/dbraw/zinc/31/50/22/814315022.db2.gz VZGZVINSEDRFEX-VXGBXAGGSA-N 2 0 284.404 -0.632 20 0 CBADRP CCn1nncc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133869733 814317596 /nfs/dbraw/zinc/31/75/96/814317596.db2.gz KEXOPWFDJKLNRY-DGCLKSJQSA-N 2 0 294.403 -0.299 20 0 CBADRP C[NH+](C)CCc1ccc(C(=O)NCC[NH2+]CC(N)=O)cc1 ZINC001133893519 814319844 /nfs/dbraw/zinc/31/98/44/814319844.db2.gz IDZCYPYWROKUGG-UHFFFAOYSA-N 2 0 292.383 -0.405 20 0 CBADRP CC[C@@H](C(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1)[NH+](C)C ZINC001133965747 814330800 /nfs/dbraw/zinc/33/08/00/814330800.db2.gz IPYIPPUWCVGGOI-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583634 814398249 /nfs/dbraw/zinc/39/82/49/814398249.db2.gz MRAFKHNWHQGKMR-QWRGUYRKSA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCO ZINC001134767053 814410634 /nfs/dbraw/zinc/41/06/34/814410634.db2.gz QQNONXOLVJBCGC-LBPRGKRZSA-N 2 0 257.378 -0.053 20 0 CBADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135092647 814436964 /nfs/dbraw/zinc/43/69/64/814436964.db2.gz AIDKBLTYCISVNF-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135095681 814437159 /nfs/dbraw/zinc/43/71/59/814437159.db2.gz NTGKYQHXKBCFOO-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135096045 814438386 /nfs/dbraw/zinc/43/83/86/814438386.db2.gz ZIPHLPLUBKMENO-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CO[C@H](C)C[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135117968 814439571 /nfs/dbraw/zinc/43/95/71/814439571.db2.gz FMVSQBFFNYMQQA-GFCCVEGCSA-N 2 0 297.403 -0.201 20 0 CBADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CCOCCO)C1CC1 ZINC001159923386 815604943 /nfs/dbraw/zinc/60/49/43/815604943.db2.gz DERRQTHNDHAFLM-CYBMUJFWSA-N 2 0 287.404 -0.569 20 0 CBADRP NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001159907627 815604992 /nfs/dbraw/zinc/60/49/92/815604992.db2.gz BYAZKHGGTJOLFN-CYBMUJFWSA-N 2 0 296.415 -0.025 20 0 CBADRP C[C@H](C[C@@H](C)[NH2+]CCOCCO)NC(=O)CC[NH+](C)C ZINC001135373368 814470870 /nfs/dbraw/zinc/47/08/70/814470870.db2.gz WBCLRTOKWBTQJU-CHWSQXEVSA-N 2 0 289.420 -0.180 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135373656 814470922 /nfs/dbraw/zinc/47/09/22/814470922.db2.gz XUFUJDFIZMRZPQ-RYUDHWBXSA-N 2 0 286.420 -0.053 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159932553 815606718 /nfs/dbraw/zinc/60/67/18/815606718.db2.gz RUOXUZQDXZSWFV-CMPLNLGQSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C)C(=O)N(C)C ZINC001159932243 815606772 /nfs/dbraw/zinc/60/67/72/815606772.db2.gz PJSAZNMCFTVDCU-DGCLKSJQSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]CC(=O)NC)C(C)C ZINC001135474534 814477248 /nfs/dbraw/zinc/47/72/48/814477248.db2.gz SKYCRFZQMSQCSZ-ZDUSSCGKSA-N 2 0 286.420 -0.195 20 0 CBADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+][C@H]1CCNC1=O)C(C)C ZINC001135477890 814477274 /nfs/dbraw/zinc/47/72/74/814477274.db2.gz SMSQDMTWKGGPCK-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001135513043 814481145 /nfs/dbraw/zinc/48/11/45/814481145.db2.gz DQYAIYPKBPGEBV-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001135511698 814481156 /nfs/dbraw/zinc/48/11/56/814481156.db2.gz ZEPJCNRZYCNARB-SNVBAGLBSA-N 2 0 258.366 -0.832 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)C[NH+](CC)CC)C1=O ZINC001135510804 814481415 /nfs/dbraw/zinc/48/14/15/814481415.db2.gz FTLGSGABVCEPLZ-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001135513266 814481776 /nfs/dbraw/zinc/48/17/76/814481776.db2.gz KDQKCXMDYASAJW-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP CC1CC[NH+](CC(=O)NCC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001135688608 814511530 /nfs/dbraw/zinc/51/15/30/814511530.db2.gz YCNJJRLXCNYUCB-GFCCVEGCSA-N 2 0 282.388 -0.687 20 0 CBADRP COC[C@@H](O)C[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135688182 814511665 /nfs/dbraw/zinc/51/16/65/814511665.db2.gz FJHWFBFTNWLJRV-ZDUSSCGKSA-N 2 0 287.404 -0.569 20 0 CBADRP CC1CC[NH+](CC(=O)NCC[NH2+]CC(=O)N(C)C)CC1 ZINC001135688184 814512071 /nfs/dbraw/zinc/51/20/71/814512071.db2.gz FKJAVEXDKLTBFY-UHFFFAOYSA-N 2 0 284.404 -0.488 20 0 CBADRP CCCNC(=O)C[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135688261 814512199 /nfs/dbraw/zinc/51/21/99/814512199.db2.gz JEQAJYSGWWQHTC-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP C[C@@H]([NH2+]CCNC(=O)C[NH+]1CCC(C)CC1)C(=O)N(C)C ZINC001135703106 814512446 /nfs/dbraw/zinc/51/24/46/814512446.db2.gz WTPJPPLIEKXGJI-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001160389087 815617026 /nfs/dbraw/zinc/61/70/26/815617026.db2.gz VTFDYCJRXIMFOL-GFCCVEGCSA-N 2 0 296.415 -0.121 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001160403677 815618211 /nfs/dbraw/zinc/61/82/11/815618211.db2.gz DQNWTZXOCVEARY-REWJHTLYSA-N 2 0 297.399 -0.295 20 0 CBADRP CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H]1CCCNC1=O)[NH+](C)C ZINC001160427477 815619040 /nfs/dbraw/zinc/61/90/40/815619040.db2.gz RVBMBMQFUNMSJV-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC1CC1)[NH+](C)C ZINC001160426083 815619153 /nfs/dbraw/zinc/61/91/53/815619153.db2.gz DAPLBAGXVXEOCL-AWEZNQCLSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001135861225 814532573 /nfs/dbraw/zinc/53/25/73/814532573.db2.gz OBLZZGXGQIITKE-VXGBXAGGSA-N 2 0 286.420 -0.053 20 0 CBADRP CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001160426912 815619578 /nfs/dbraw/zinc/61/95/78/815619578.db2.gz KDMVNWNADTVXBA-OLZOCXBDSA-N 2 0 298.431 -0.101 20 0 CBADRP CCOCC[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135963638 814541252 /nfs/dbraw/zinc/54/12/52/814541252.db2.gz XBLPZTQFXMEGLU-UHFFFAOYSA-N 2 0 287.404 -0.161 20 0 CBADRP COCC[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959677 814541410 /nfs/dbraw/zinc/54/14/10/814541410.db2.gz SKWYQOOSIXDBHK-UHFFFAOYSA-N 2 0 273.377 -0.551 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001135981089 814543053 /nfs/dbraw/zinc/54/30/53/814543053.db2.gz XLMJHPAGVGNUDC-WDEREUQCSA-N 2 0 272.393 -0.314 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1nccnc1N ZINC001140016086 814630542 /nfs/dbraw/zinc/63/05/42/814630542.db2.gz YGQBRHMGSIDCAY-UHFFFAOYSA-N 2 0 266.393 -0.016 20 0 CBADRP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001141196527 814649201 /nfs/dbraw/zinc/64/92/01/814649201.db2.gz FZCIHWPEXWHBSR-UHXUPSOCSA-N 2 0 267.373 -0.396 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cn1ccccc1=O ZINC001141923974 814671577 /nfs/dbraw/zinc/67/15/77/814671577.db2.gz LSZPXPPHWNCHAU-UHFFFAOYSA-N 2 0 293.371 -0.088 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cn1nccn1 ZINC001142198590 814702495 /nfs/dbraw/zinc/70/24/95/814702495.db2.gz ZTQQJVPCAZYAMB-UHFFFAOYSA-N 2 0 267.337 -0.658 20 0 CBADRP CCOC(=O)C1(NC(=O)C2C[NH+](C)C2)CC[NH+](C)CC1 ZINC001142599941 814722905 /nfs/dbraw/zinc/72/29/05/814722905.db2.gz ADHZEWLFKPORHH-UHFFFAOYSA-N 2 0 283.372 -0.308 20 0 CBADRP CN1CC[NH+](CCC(=O)N2CC(C)([NH+](C)C)C2)CC1 ZINC001143230006 814763133 /nfs/dbraw/zinc/76/31/33/814763133.db2.gz AHMYGBJLRLOEFO-UHFFFAOYSA-N 2 0 268.405 -0.214 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)CCN1CC[NH+](C)CC1 ZINC001143236855 814764814 /nfs/dbraw/zinc/76/48/14/814764814.db2.gz WFYLDYBKCPCIKM-UHFFFAOYSA-N 2 0 292.387 -0.593 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)/C=C/C(=O)NC ZINC001144091806 814772734 /nfs/dbraw/zinc/77/27/34/814772734.db2.gz KNHOFTKFFMJSNN-VOTSOKGWSA-N 2 0 269.349 -0.648 20 0 CBADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)CN(C)C(N)=[NH2+])C1 ZINC001144135955 814773344 /nfs/dbraw/zinc/77/33/44/814773344.db2.gz HLIDSOUPJCTXEC-JTQLQIEISA-N 2 0 255.366 -0.247 20 0 CBADRP COc1cccc(C[C@@H]([NH3+])C(=O)NCC[NH2+]CCO)c1 ZINC001144942021 814778947 /nfs/dbraw/zinc/77/89/47/814778947.db2.gz SMGPPLPMINWJCC-CYBMUJFWSA-N 2 0 281.356 -0.737 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146384358 814837913 /nfs/dbraw/zinc/83/79/13/814837913.db2.gz OPXKELKCJBTDFV-LBPRGKRZSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]C[C@@H](O)COC ZINC001146705949 814843475 /nfs/dbraw/zinc/84/34/75/814843475.db2.gz ZTPGPXWVGKFKTN-LLVKDONJSA-N 2 0 261.366 -0.959 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001146711714 814843539 /nfs/dbraw/zinc/84/35/39/814843539.db2.gz VFQQMISDURNJBW-UHFFFAOYSA-N 2 0 297.359 -0.339 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001146709779 814844038 /nfs/dbraw/zinc/84/40/38/814844038.db2.gz DMEZZSSTMLRJMN-GFCCVEGCSA-N 2 0 294.403 -0.187 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001146719946 814845106 /nfs/dbraw/zinc/84/51/06/814845106.db2.gz XVJYHBZASZLVMI-UHFFFAOYSA-N 2 0 279.406 -0.921 20 0 CBADRP CCNC(=O)C[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146718441 814845578 /nfs/dbraw/zinc/84/55/78/814845578.db2.gz BIDYVZUBYZWYKN-UHFFFAOYSA-N 2 0 258.366 -0.830 20 0 CBADRP CCCCNC(=O)C[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146719596 814845890 /nfs/dbraw/zinc/84/58/90/814845890.db2.gz QWNJELQQYFHWSS-UHFFFAOYSA-N 2 0 286.420 -0.050 20 0 CBADRP COc1cnc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])nc1 ZINC001147042236 814871283 /nfs/dbraw/zinc/87/12/83/814871283.db2.gz VEVKCUWWIZVYFX-UHFFFAOYSA-N 2 0 266.305 -0.440 20 0 CBADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001147359726 814890624 /nfs/dbraw/zinc/89/06/24/814890624.db2.gz UQCBJRKCLXNKTP-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP Cn1nccc1C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147876974 814920748 /nfs/dbraw/zinc/92/07/48/814920748.db2.gz AZIPOGAYPMVUON-LBPRGKRZSA-N 2 0 279.388 -0.032 20 0 CBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CCn1cccn1 ZINC001147877218 814921773 /nfs/dbraw/zinc/92/17/73/814921773.db2.gz GZEANSJIUMCROE-UHFFFAOYSA-N 2 0 283.376 -0.833 20 0 CBADRP Cc1cc(C[NH2+]CCNC(=O)COCC[NH+](C)C)ncn1 ZINC001147884613 814921901 /nfs/dbraw/zinc/92/19/01/814921901.db2.gz GWROAEXGAFDTKZ-UHFFFAOYSA-N 2 0 295.387 -0.431 20 0 CBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147878210 814923188 /nfs/dbraw/zinc/92/31/88/814923188.db2.gz VCSITMBETISWDK-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[C@@]([NH3+])(CO)Nc1ncc(C)c(C2C[NH2+]C2)n1 ZINC001159750278 815592845 /nfs/dbraw/zinc/59/28/45/815592845.db2.gz JOSHXDSYZQFTCV-LBPRGKRZSA-N 2 0 251.334 -0.059 20 0 CBADRP CN(C)C(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159915657 815604355 /nfs/dbraw/zinc/60/43/55/815604355.db2.gz LMNKDCUMZXAENT-ZDUSSCGKSA-N 2 0 284.404 -0.489 20 0 CBADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC1CC1)C1CC1 ZINC001159914230 815604381 /nfs/dbraw/zinc/60/43/81/815604381.db2.gz BRGUOASTNFMTQL-AWEZNQCLSA-N 2 0 296.415 -0.299 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159925517 815604545 /nfs/dbraw/zinc/60/45/45/815604545.db2.gz RTYNVKRZNCWUSE-STQMWFEESA-N 2 0 287.404 -0.570 20 0 CBADRP COCCN(C(=O)[C@]1(N)CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC001160441261 815622044 /nfs/dbraw/zinc/62/20/44/815622044.db2.gz VZFJJQCIAQZROJ-AWEZNQCLSA-N 2 0 284.404 -0.754 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001160454329 815623315 /nfs/dbraw/zinc/62/33/15/815623315.db2.gz MNTWOIRZZPXTHB-HIFRSBDPSA-N 2 0 280.416 -0.262 20 0 CBADRP C[C@H]1C(=O)NCCN1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001160451973 815623361 /nfs/dbraw/zinc/62/33/61/815623361.db2.gz WFFNTXJORNWDAR-UWVGGRQHSA-N 2 0 256.350 -0.820 20 0 CBADRP C[C@@H]1C(=O)NCCN1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001160451974 815623650 /nfs/dbraw/zinc/62/36/50/815623650.db2.gz WFFNTXJORNWDAR-ZJUUUORDSA-N 2 0 256.350 -0.820 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160453619 815624086 /nfs/dbraw/zinc/62/40/86/815624086.db2.gz BESFVBZBGIJPGD-GDBMZVCRSA-N 3 0 294.443 -0.014 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001160456269 815625573 /nfs/dbraw/zinc/62/55/73/815625573.db2.gz FJJIVNLUNNVGMO-JSGCOSHPSA-N 2 0 266.389 -0.604 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC(C[NH2+]C)CC1 ZINC001160460362 815625666 /nfs/dbraw/zinc/62/56/66/815625666.db2.gz ZANCFJWORSZMHO-FZMZJTMJSA-N 2 0 298.431 -0.066 20 0 CBADRP O=C(N1CCC2(C1)OCCO2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160470890 815626373 /nfs/dbraw/zinc/62/63/73/815626373.db2.gz JUALGJATCMMFTA-DGCLKSJQSA-N 2 0 281.356 -0.839 20 0 CBADRP CCN(CCC(N)=O)C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160471371 815626690 /nfs/dbraw/zinc/62/66/90/815626690.db2.gz VHMQEVGBOOMBOV-LLVKDONJSA-N 2 0 282.388 -0.416 20 0 CBADRP Cc1cc(CN(C)C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n(C)n1 ZINC001160474655 815627062 /nfs/dbraw/zinc/62/70/62/815627062.db2.gz HTYSOYDQFOKHGQ-LBPRGKRZSA-N 2 0 277.372 -0.504 20 0 CBADRP CCN(C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C1CCOCC1 ZINC001160493699 815629664 /nfs/dbraw/zinc/62/96/64/815629664.db2.gz OVIXYHLNUWYSGM-GFCCVEGCSA-N 2 0 267.373 -0.177 20 0 CBADRP N[C@@]1(C(=O)N2CC[NH+](C3CCOCC3)CC2)CC[NH2+]C1 ZINC001160491195 815630432 /nfs/dbraw/zinc/63/04/32/815630432.db2.gz WJDUVCDAZKSZJA-AWEZNQCLSA-N 2 0 282.388 -1.000 20 0 CBADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001160539513 815633838 /nfs/dbraw/zinc/63/38/38/815633838.db2.gz VWEXYRNVQKQNHY-YWVKMMECSA-N 2 0 276.344 -0.884 20 0 CBADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160539232 815633882 /nfs/dbraw/zinc/63/38/82/815633882.db2.gz OFTRJCIUUHFEKV-QWRGUYRKSA-N 3 0 292.387 -0.116 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001160536889 815634441 /nfs/dbraw/zinc/63/44/41/815634441.db2.gz DJCSJVAQKLITBU-LBPRGKRZSA-N 3 0 288.461 -0.052 20 0 CBADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001160539532 815634545 /nfs/dbraw/zinc/63/45/45/815634545.db2.gz WLCGMHNWAYGQML-NGZCFLSTSA-N 2 0 277.328 -0.850 20 0 CBADRP NC(=O)[C@@H]1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001160547975 815635393 /nfs/dbraw/zinc/63/53/93/815635393.db2.gz BHDUUFYBGSBMFQ-GHMZBOCLSA-N 2 0 280.372 -0.806 20 0 CBADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@]1(N)CC[NH2+]C1 ZINC001160542491 815635775 /nfs/dbraw/zinc/63/57/75/815635775.db2.gz YLFJGLUAQOAVFB-ZANVPECISA-N 2 0 276.344 -0.882 20 0 CBADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001160539633 815635836 /nfs/dbraw/zinc/63/58/36/815635836.db2.gz YYAUCSLOBARSIO-YGRLFVJLSA-N 2 0 290.371 -0.492 20 0 CBADRP CN(CC1(C)COC1)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160544059 815636197 /nfs/dbraw/zinc/63/61/97/815636197.db2.gz FHCNYJDFJNGRIE-JTQLQIEISA-N 2 0 253.346 -0.710 20 0 CBADRP Cn1cc2c(n1)CCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001160556742 815636570 /nfs/dbraw/zinc/63/65/70/815636570.db2.gz AUVQTCPIEQEAAM-ZDUSSCGKSA-N 2 0 277.372 -0.368 20 0 CBADRP CN(CC1(C)COC1)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160549322 815637400 /nfs/dbraw/zinc/63/74/00/815637400.db2.gz PPQPMLCEUUFIEV-GFCCVEGCSA-N 2 0 284.404 -0.768 20 0 CBADRP Cc1cc2n(n1)c(=O)cc(C)n2C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001160565528 815638937 /nfs/dbraw/zinc/63/89/37/815638937.db2.gz ZMZWGWQJJHWNBD-JTQLQIEISA-N 2 0 277.328 -0.181 20 0 CBADRP CC(C)(C)[NH+]1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001160578328 815640295 /nfs/dbraw/zinc/64/02/95/815640295.db2.gz WCVRBSLKIJQIGX-LLVKDONJSA-N 3 0 256.394 -0.005 20 0 CBADRP COC(=O)C[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCO1 ZINC001160596936 815644030 /nfs/dbraw/zinc/64/40/30/815644030.db2.gz XPORMZOCXRCCFF-YPMHNXCESA-N 2 0 299.371 -0.896 20 0 CBADRP O=C(N1CCC[C@H](CCO)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160610411 815644996 /nfs/dbraw/zinc/64/49/96/815644996.db2.gz CCRYMNSHVBDQKL-UMVBOHGHSA-N 2 0 281.400 -0.194 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC[C@@H](CCO)C1 ZINC001160611392 815645248 /nfs/dbraw/zinc/64/52/48/815645248.db2.gz UGDLGDSYHKUBFC-GXTWGEPZSA-N 2 0 298.431 -0.642 20 0 CBADRP [NH3+][C@H](C(=O)N1CCC[C@H](n2cncn2)C1)C1CC[NH2+]CC1 ZINC001160638697 815649644 /nfs/dbraw/zinc/64/96/44/815649644.db2.gz XYMOUBHTBQGRFF-STQMWFEESA-N 2 0 292.387 -0.232 20 0 CBADRP C[C@H]1CC(=O)CCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160642478 815650197 /nfs/dbraw/zinc/65/01/97/815650197.db2.gz JMEMFRCEPAGXEK-GXSJLCMTSA-N 2 0 251.330 -0.625 20 0 CBADRP C[C@H]1CC(=O)CCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001160643067 815650538 /nfs/dbraw/zinc/65/05/38/815650538.db2.gz XBWDFQFPVRFAKR-CABZTGNLSA-N 2 0 253.346 -0.107 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160644466 815650548 /nfs/dbraw/zinc/65/05/48/815650548.db2.gz ZIRVMIJFTIPLHH-QWRGUYRKSA-N 3 0 258.366 -0.981 20 0 CBADRP C[NH+](C)C1(C)CN(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1 ZINC001160645174 815651040 /nfs/dbraw/zinc/65/10/40/815651040.db2.gz PAYDVXHEUPHXNO-BREBYQMCSA-N 2 0 252.362 -0.629 20 0 CBADRP [NH3+][C@H](C(=O)N1CCN2C(=O)CC[C@@H]2C1)C1CC[NH2+]CC1 ZINC001160647828 815651820 /nfs/dbraw/zinc/65/18/20/815651820.db2.gz UXMMNAMWPHSHQF-YPMHNXCESA-N 2 0 280.372 -0.854 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC(C)([NH+](C)C)C1 ZINC001160646318 815651908 /nfs/dbraw/zinc/65/19/08/815651908.db2.gz YHCNQBJOUXYRTP-NSHDSACASA-N 2 0 284.404 -0.362 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)C[C@@H]1F ZINC001160650549 815652232 /nfs/dbraw/zinc/65/22/32/815652232.db2.gz YIVMVAYPIAPVLP-AXFHLTTASA-N 2 0 286.351 -0.776 20 0 CBADRP N[C@H](C[NH3+])c1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001160656614 815653114 /nfs/dbraw/zinc/65/31/14/815653114.db2.gz ZIGJSHYKIVAART-JHJVBQTASA-N 2 0 278.356 -0.821 20 0 CBADRP CC(C)[C@@]1(C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)CCC[NH2+]C1 ZINC001160655499 815653160 /nfs/dbraw/zinc/65/31/60/815653160.db2.gz OHHIRQIVBCMZDA-YRGRVCCFSA-N 2 0 269.389 -0.067 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160655191 815653197 /nfs/dbraw/zinc/65/31/97/815653197.db2.gz JTENRCQZSIVXDV-KXUCPTDWSA-N 2 0 259.350 -0.951 20 0 CBADRP [NH3+][C@H](Cc1ccccc1F)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160652860 815653359 /nfs/dbraw/zinc/65/33/59/815653359.db2.gz OWVOXSGUPZKUMX-JHJVBQTASA-N 2 0 281.331 -0.384 20 0 CBADRP C[C@@H]1C[C@H](O)CCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001160654766 815653431 /nfs/dbraw/zinc/65/34/31/815653431.db2.gz BGJKIJNYEGGREY-JLLWLGSASA-N 2 0 255.362 -0.315 20 0 CBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001160670292 815655595 /nfs/dbraw/zinc/65/55/95/815655595.db2.gz WAFSKHJSLUMTPE-STQMWFEESA-N 2 0 297.399 -0.720 20 0 CBADRP COC(CN(C)C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)OC ZINC001160683929 815656782 /nfs/dbraw/zinc/65/67/82/815656782.db2.gz OTOLYNVJECLMCT-LLVKDONJSA-N 2 0 285.388 -0.062 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001160689447 815656925 /nfs/dbraw/zinc/65/69/25/815656925.db2.gz WSEWAELHUUBSEK-BZPMIXESSA-N 2 0 266.389 -0.238 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160688977 815656949 /nfs/dbraw/zinc/65/69/49/815656949.db2.gz RYHVKPPVQFXFPI-GFCCVEGCSA-N 3 0 266.389 -0.650 20 0 CBADRP CN(CCC1OCCO1)C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001160683594 815656983 /nfs/dbraw/zinc/65/69/83/815656983.db2.gz OEMZQMIGWWULND-LBPRGKRZSA-N 2 0 271.361 -0.465 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001160688065 815657061 /nfs/dbraw/zinc/65/70/61/815657061.db2.gz MNKZAXHJTDLIDL-GXTWGEPZSA-N 2 0 266.389 -0.508 20 0 CBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC001160688728 815657187 /nfs/dbraw/zinc/65/71/87/815657187.db2.gz GBDHVFBNAYITOV-NEPJUHHUSA-N 2 0 289.383 -0.075 20 0 CBADRP CN(Cc1ccon1)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160688591 815657837 /nfs/dbraw/zinc/65/78/37/815657837.db2.gz QNGKHOUILFTOLM-VIFPVBQESA-N 2 0 258.347 -0.348 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N(C)C[C@H]1CCC[NH2+]C1 ZINC001160694804 815658658 /nfs/dbraw/zinc/65/86/58/815658658.db2.gz FJIRKTLWMDNRNV-STQMWFEESA-N 2 0 298.431 -0.066 20 0 CBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001160695050 815659293 /nfs/dbraw/zinc/65/92/93/815659293.db2.gz HDZKTCZKHGZERQ-AAEUAGOBSA-N 2 0 279.388 -0.252 20 0 CBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160698659 815660613 /nfs/dbraw/zinc/66/06/13/815660613.db2.gz OHYPEDMBOBOSIE-GXTWGEPZSA-N 3 0 297.447 -0.805 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3cnc[nH]3)C[C@H]2C1 ZINC001160704897 815661654 /nfs/dbraw/zinc/66/16/54/815661654.db2.gz QHUQROXNCPHACU-UMNHJUIQSA-N 2 0 263.345 -0.701 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)C[C@H]2C1 ZINC001160704837 815662092 /nfs/dbraw/zinc/66/20/92/815662092.db2.gz ONIQQTKHFFZORO-FRRDWIJNSA-N 3 0 266.389 -0.667 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC001160705784 815662402 /nfs/dbraw/zinc/66/24/02/815662402.db2.gz RWKXZRXXPXMKLK-HTQZYQBOSA-N 2 0 269.267 -0.158 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC001160726481 815665331 /nfs/dbraw/zinc/66/53/31/815665331.db2.gz ODONMZHJMLKVTL-ZDUSSCGKSA-N 2 0 277.372 -0.404 20 0 CBADRP C[C@@H]1CO[C@@H]2CN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)C[C@H]12 ZINC001160756346 815666583 /nfs/dbraw/zinc/66/65/83/815666583.db2.gz KTNQLSBPRVJNCX-OJAKKHQRSA-N 2 0 267.373 -0.193 20 0 CBADRP C[C@@H]1CO[C@@H]2CN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)C[C@H]12 ZINC001160756345 815666913 /nfs/dbraw/zinc/66/69/13/815666913.db2.gz KTNQLSBPRVJNCX-JHEVNIALSA-N 2 0 267.373 -0.193 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCc2nccn2CC1 ZINC001160760760 815668761 /nfs/dbraw/zinc/66/87/61/815668761.db2.gz QZVSGMNZGMDHFF-LBPRGKRZSA-N 2 0 279.388 -0.015 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCc2nccn2CC1 ZINC001160761020 815669159 /nfs/dbraw/zinc/66/91/59/815669159.db2.gz UEZPSKBZSTTYAQ-JTQLQIEISA-N 2 0 251.334 -0.666 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780234 815671212 /nfs/dbraw/zinc/67/12/12/815671212.db2.gz OMSVPOBXESWZSJ-YCPHGPKFSA-N 2 0 289.379 -0.304 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001160837186 815675983 /nfs/dbraw/zinc/67/59/83/815675983.db2.gz DYIQFNYUZHGBLH-XDQVBPFNSA-N 2 0 297.399 -0.458 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001160838820 815676181 /nfs/dbraw/zinc/67/61/81/815676181.db2.gz MCAHHGYIOUCKBF-WYUUTHIRSA-N 2 0 253.346 -0.759 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001160838817 815676284 /nfs/dbraw/zinc/67/62/84/815676284.db2.gz MCAHHGYIOUCKBF-NNYUYHANSA-N 2 0 253.346 -0.759 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001160835342 815676553 /nfs/dbraw/zinc/67/65/53/815676553.db2.gz ZCECROWQKMXPPJ-GFCCVEGCSA-N 2 0 296.415 -0.168 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001160840649 815678012 /nfs/dbraw/zinc/67/80/12/815678012.db2.gz YYWGCAPICFUDFG-NWDGAFQWSA-N 2 0 281.360 -0.932 20 0 CBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(n2cccn2)CC1 ZINC001160845748 815678040 /nfs/dbraw/zinc/67/80/40/815678040.db2.gz HCNUUBPTIOFNRQ-CYBMUJFWSA-N 2 0 289.383 -0.144 20 0 CBADRP CCOCC[NH2+]CCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001160857779 815681218 /nfs/dbraw/zinc/68/12/18/815681218.db2.gz QGWDBARTFBYENU-CHWSQXEVSA-N 2 0 287.404 -0.162 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001160862575 815682271 /nfs/dbraw/zinc/68/22/71/815682271.db2.gz RFAYXJBZKNDUDA-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001160889336 815685072 /nfs/dbraw/zinc/68/50/72/815685072.db2.gz IVFLFZVRSBKMBR-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[C@H](C(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001160890045 815685380 /nfs/dbraw/zinc/68/53/80/815685380.db2.gz TVWDXMZTBKBSJK-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)C2 ZINC001160962632 815691352 /nfs/dbraw/zinc/69/13/52/815691352.db2.gz FAXBFJKHDCVLKJ-PRULPYPASA-N 2 0 253.346 -0.881 20 0 CBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@]1(N)CCC[NH2+]C1)C2 ZINC001160965256 815691657 /nfs/dbraw/zinc/69/16/57/815691657.db2.gz VJRBNMHVCFMNIH-BNOWGMLFSA-N 2 0 266.389 -0.523 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160966857 815691921 /nfs/dbraw/zinc/69/19/21/815691921.db2.gz DOMPUEBFBDSJJG-YUMQZZPRSA-N 2 0 265.260 -0.928 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160972902 815692467 /nfs/dbraw/zinc/69/24/67/815692467.db2.gz UFGWYAZEZKPKAG-MRVPVSSYSA-N 2 0 277.319 -0.165 20 0 CBADRP O=C([C@H]1[NH2+][C@H]2CC[C@@H]1C2)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999477 815692786 /nfs/dbraw/zinc/69/27/86/815692786.db2.gz FLTUVROSAAJKKH-VOAKCMCISA-N 2 0 279.384 -0.158 20 0 CBADRP O=C([C@H]1[NH2+][C@H]2CC[C@@H]1C2)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999478 815693057 /nfs/dbraw/zinc/69/30/57/815693057.db2.gz FLTUVROSAAJKKH-XQHKEYJVSA-N 2 0 279.384 -0.158 20 0 CBADRP C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)CC2)CC1 ZINC001160993439 815693181 /nfs/dbraw/zinc/69/31/81/815693181.db2.gz QZHIMSUQSHBJIQ-OLZOCXBDSA-N 2 0 281.400 -0.099 20 0 CBADRP [NH3+][C@H]1CN(C(=O)CN2CC[NH2+]CC2)CC(F)(F)C1 ZINC001160970776 815693259 /nfs/dbraw/zinc/69/32/59/815693259.db2.gz BQICQRFBTQNORX-SECBINFHSA-N 2 0 262.304 -0.914 20 0 CBADRP N[C@]1(C(=O)N2C[C@H]([NH3+])CC(F)(F)C2)CCC[NH2+]C1 ZINC001160971533 815693494 /nfs/dbraw/zinc/69/34/94/815693494.db2.gz IOTUJACNGTYVMT-PSASIEDQSA-N 2 0 262.304 -0.738 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001667 815694178 /nfs/dbraw/zinc/69/41/78/815694178.db2.gz ZEXHSDWAAXJFPH-NWDGAFQWSA-N 3 0 284.404 -0.842 20 0 CBADRP C[C@]1(C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)CCC[NH2+]1 ZINC001161008647 815695175 /nfs/dbraw/zinc/69/51/75/815695175.db2.gz QBINQKJMNACRKM-DGCLKSJQSA-N 2 0 267.373 -0.156 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCSC23C[NH2+]C3)CC[NH2+]1 ZINC001161016324 815696042 /nfs/dbraw/zinc/69/60/42/815696042.db2.gz WXDZQBBMDKQYAK-ZJUUUORDSA-N 2 0 255.387 -0.098 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]23CCCO[C@@H]2CC[NH2+]C3)CC[NH2+]1 ZINC001161015952 815696530 /nfs/dbraw/zinc/69/65/30/815696530.db2.gz NKBQGPKZPCLVEU-YRGRVCCFSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2COC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC001161016238 815696847 /nfs/dbraw/zinc/69/68/47/815696847.db2.gz UNVRSCGTMDOBHE-VXGBXAGGSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC[NH2+][C@H](C)C2)COC1(C)C ZINC001161020543 815698562 /nfs/dbraw/zinc/69/85/62/815698562.db2.gz OXGCMLSINPHZLD-VWYCJHECSA-N 2 0 298.387 -0.883 20 0 CBADRP CC(=O)[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001161034211 815702014 /nfs/dbraw/zinc/70/20/14/815702014.db2.gz CQDBJKSATWPETJ-OUCADQQQSA-N 2 0 265.357 -0.377 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161042740 815703024 /nfs/dbraw/zinc/70/30/24/815703024.db2.gz UHRUKJSUJRBYQP-LBPRGKRZSA-N 2 0 284.404 -0.297 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C)C(N)=O ZINC001161043024 815703408 /nfs/dbraw/zinc/70/34/08/815703408.db2.gz WNSUJQHGUBNBMR-WDEREUQCSA-N 2 0 270.377 -0.560 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001161041503 815703863 /nfs/dbraw/zinc/70/38/63/815703863.db2.gz JRZLYSIVALJGES-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC001161049621 815703976 /nfs/dbraw/zinc/70/39/76/815703976.db2.gz GTBUHJSCIYZROD-CYBMUJFWSA-N 2 0 268.405 -0.167 20 0 CBADRP CN(C(=O)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161057836 815705026 /nfs/dbraw/zinc/70/50/26/815705026.db2.gz HQUHWJPCRQMXRO-KSSYENDESA-N 2 0 267.373 -0.051 20 0 CBADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161050475 815705243 /nfs/dbraw/zinc/70/52/43/815705243.db2.gz NPCNJUKMMVWFNY-OLZOCXBDSA-N 3 0 280.416 -0.264 20 0 CBADRP CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161062507 815705398 /nfs/dbraw/zinc/70/53/98/815705398.db2.gz KPOUEDIPFZIMDJ-GARJFASQSA-N 3 0 274.434 -0.266 20 0 CBADRP CN(C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161060774 815705569 /nfs/dbraw/zinc/70/55/69/815705569.db2.gz CWZFKWWWWWWIPJ-SKENRDBWSA-N 2 0 266.389 -0.064 20 0 CBADRP CN(C(=O)CN1CC[NH2+]CC1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161061621 815705607 /nfs/dbraw/zinc/70/56/07/815705607.db2.gz HUMQYQVOHUTBMP-NWDGAFQWSA-N 2 0 254.378 -0.380 20 0 CBADRP CN(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161057851 815705786 /nfs/dbraw/zinc/70/57/86/815705786.db2.gz IAKPVJAGKLTUTQ-OFTGVCEQSA-N 2 0 266.389 -0.335 20 0 CBADRP CN(C(=O)[C@H]1C[NH2+]CCN1C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161061604 815705797 /nfs/dbraw/zinc/70/57/97/815705797.db2.gz HOROOOSGTGLOBO-SDDRHHMPSA-N 2 0 254.378 -0.382 20 0 CBADRP CN(C(=O)[C@]12C[NH2+]C[C@@H]1CCN2)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161058223 815706058 /nfs/dbraw/zinc/70/60/58/815706058.db2.gz PXKDENBZIJLPCF-MNXVOIDGSA-N 2 0 266.389 -0.334 20 0 CBADRP CN(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161058547 815706316 /nfs/dbraw/zinc/70/63/16/815706316.db2.gz XSBSOUMQKUDRGX-SRVKXCTJSA-N 3 0 266.389 -0.476 20 0 CBADRP CN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])C1(C)CC[NH2+]CC1 ZINC001161073178 815707128 /nfs/dbraw/zinc/70/71/28/815707128.db2.gz JWEYJAPGLOGPRN-NSHDSACASA-N 2 0 282.388 -0.463 20 0 CBADRP CN(C(=O)[C@]1(N)CCC[NH2+]C1)C1(C)CC[NH2+]CC1 ZINC001161073202 815707277 /nfs/dbraw/zinc/70/72/77/815707277.db2.gz KYDMYULFHWVYKI-ZDUSSCGKSA-N 2 0 254.378 -0.332 20 0 CBADRP CN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161063867 815707410 /nfs/dbraw/zinc/70/74/10/815707410.db2.gz NXJPHZXUBLFQDR-TUAOUCFPSA-N 2 0 282.388 -0.336 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)C[C@@H]21 ZINC001161081029 815708635 /nfs/dbraw/zinc/70/86/35/815708635.db2.gz CJYBHJABNMPZCX-RHYQMDGZSA-N 2 0 252.362 -0.914 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@@H]21 ZINC001161080950 815709520 /nfs/dbraw/zinc/70/95/20/815709520.db2.gz AAQZPOCFHJEGCX-SRVKXCTJSA-N 3 0 286.445 -0.442 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001161081424 815709863 /nfs/dbraw/zinc/70/98/63/815709863.db2.gz JUHVQSRZPIGYNF-JTQLQIEISA-N 2 0 283.376 -0.883 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C[C@H]21 ZINC001161081223 815709966 /nfs/dbraw/zinc/70/99/66/815709966.db2.gz HNKNBYPAOQJPMN-IXYNUQLISA-N 3 0 292.427 -0.262 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C3(N)CC[NH2+]CC3)C[C@H]21 ZINC001161080991 815710202 /nfs/dbraw/zinc/71/02/02/815710202.db2.gz AUZHPRYCABPCQD-VXGBXAGGSA-N 2 0 266.389 -0.380 20 0 CBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@H]21 ZINC001161081875 815710901 /nfs/dbraw/zinc/71/09/01/815710901.db2.gz MHOPJWZWXQOMBP-FIQHERPVSA-N 2 0 253.346 -0.738 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001161084413 815711200 /nfs/dbraw/zinc/71/12/00/815711200.db2.gz XEEJVKLNKQXXRS-NSHDSACASA-N 2 0 297.403 -0.493 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C[C@@H]3COCC[NH2+]3)C[C@@H]21 ZINC001161084045 815712042 /nfs/dbraw/zinc/71/20/42/815712042.db2.gz WLAVQRUZFRWCOF-UPJWGTAASA-N 2 0 267.373 -0.083 20 0 CBADRP Cc1nc(NCCN(CC[NH3+])N(O)N=O)cc(N(C)C)[nH+]1 ZINC001161088197 815713241 /nfs/dbraw/zinc/71/32/41/815713241.db2.gz ZULIHMGRHQZYOQ-UHFFFAOYSA-N 2 0 298.351 -0.189 20 0 CBADRP CCOC(=O)[C@H]1COCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001161093450 815714205 /nfs/dbraw/zinc/71/42/05/815714205.db2.gz OKAWAFZFUQROSN-WDEREUQCSA-N 2 0 287.360 -0.767 20 0 CBADRP CCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C1CN(C)C1 ZINC001161136908 815718692 /nfs/dbraw/zinc/71/86/92/815718692.db2.gz AAEHMBXDZLGDHY-LBPRGKRZSA-N 2 0 254.378 -0.524 20 0 CBADRP CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1CN(C)C1 ZINC001161138289 815720978 /nfs/dbraw/zinc/72/09/78/815720978.db2.gz RCSASIYXBVVGBK-JTQLQIEISA-N 2 0 260.407 -0.832 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@]1(C)CC[NH2+]C1 ZINC001161158607 815723020 /nfs/dbraw/zinc/72/30/20/815723020.db2.gz KFPFWDIBFLVSQA-CYBMUJFWSA-N 2 0 271.361 -0.274 20 0 CBADRP CCOC(=O)CN(CCC[NH3+])C(=O)C1CC[NH2+]CC1 ZINC001161157351 815723121 /nfs/dbraw/zinc/72/31/21/815723121.db2.gz BQGQXFVQNFMBBK-UHFFFAOYSA-N 2 0 271.361 -0.274 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](N)CC[NH3+])C[C@H]2C1 ZINC001161175273 815724266 /nfs/dbraw/zinc/72/42/66/815724266.db2.gz KCTATCUEGIZCBE-TUAOUCFPSA-N 2 0 254.378 -0.537 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CCN4)C[C@H]2C1 ZINC001161175200 815724410 /nfs/dbraw/zinc/72/44/10/815724410.db2.gz IUDNWJKGSWDNQN-NYTXWWLZSA-N 2 0 292.427 -0.262 20 0 CBADRP CCC[N@H+]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CCN4)C[C@H]2C1 ZINC001161175197 815725149 /nfs/dbraw/zinc/72/51/49/815725149.db2.gz IUDNWJKGSWDNQN-FQLMCAECSA-N 2 0 292.427 -0.262 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@H]2C1 ZINC001161174682 815725176 /nfs/dbraw/zinc/72/51/76/815725176.db2.gz CHOWBBMMZXHVJT-ZIAGYGMSSA-N 2 0 280.416 -0.308 20 0 CBADRP CCC[NH+]1C[C@@H]2CN(C(=O)[C@]3(N)CC[NH2+]C3)C[C@H]2C1 ZINC001161176264 815726650 /nfs/dbraw/zinc/72/66/50/815726650.db2.gz RPPKPDLUZAHIFK-BZPMIXESSA-N 2 0 266.389 -0.523 20 0 CBADRP CN(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)[C@H]1CCC2(C1)OCCO2 ZINC001161219204 815728717 /nfs/dbraw/zinc/72/87/17/815728717.db2.gz OIDSVRLWFWSMMH-RYUDHWBXSA-N 2 0 295.383 -0.451 20 0 CBADRP CN(C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)[C@H]1CCC2(C1)OCCO2 ZINC001161219203 815728998 /nfs/dbraw/zinc/72/89/98/815728998.db2.gz OIDSVRLWFWSMMH-NWDGAFQWSA-N 2 0 295.383 -0.451 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001161226577 815729944 /nfs/dbraw/zinc/72/99/44/815729944.db2.gz JMOFQSWVKQAMBI-JTQLQIEISA-N 2 0 272.393 -0.314 20 0 CBADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001161231652 815730217 /nfs/dbraw/zinc/73/02/17/815730217.db2.gz NGVNSPLZXCLLBR-GAIPPQHRSA-N 2 0 269.345 -0.654 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001161226312 815730593 /nfs/dbraw/zinc/73/05/93/815730593.db2.gz CEJXTJUEOFHCGU-UHFFFAOYSA-N 2 0 286.420 -0.099 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161247019 815733570 /nfs/dbraw/zinc/73/35/70/815733570.db2.gz USRLMJBKWWOPDF-CMPLNLGQSA-N 3 0 260.357 -0.268 20 0 CBADRP [NH3+]C[C@@]1(F)CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161246049 815733812 /nfs/dbraw/zinc/73/38/12/815733812.db2.gz IDHLMZKVAUTDEM-JQWIXIFHSA-N 3 0 258.341 -0.787 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161238861 815734420 /nfs/dbraw/zinc/73/44/20/815734420.db2.gz DSAJQIXDLKNQJY-JQWIXIFHSA-N 2 0 269.324 -0.811 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161246662 815734506 /nfs/dbraw/zinc/73/45/06/815734506.db2.gz NMMNSGJRZPJACD-GWCFXTLKSA-N 2 0 288.367 -0.625 20 0 CBADRP CNC(=O)NC1CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001161268423 815735551 /nfs/dbraw/zinc/73/55/51/815735551.db2.gz IINUJYGGPORZTQ-GFCCVEGCSA-N 2 0 297.403 -0.767 20 0 CBADRP CC(=O)N[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161269704 815735744 /nfs/dbraw/zinc/73/57/44/815735744.db2.gz DTNZATQANDQERB-QWHCGFSZSA-N 2 0 284.404 -0.040 20 0 CBADRP Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)CC1 ZINC001161306490 815738658 /nfs/dbraw/zinc/73/86/58/815738658.db2.gz NJQWNIHTDUUWCZ-OLZOCXBDSA-N 2 0 289.383 -0.272 20 0 CBADRP Cc1c[nH+]ccc1N1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2N)CC1 ZINC001161308558 815738680 /nfs/dbraw/zinc/73/86/80/815738680.db2.gz DDQHAQUXAVGVEB-STQMWFEESA-N 2 0 289.383 -0.415 20 0 CBADRP CCN(C(=O)[C@@H]([NH3+])Cn1cccn1)[C@@H]1CCC[NH2+]C1 ZINC001161328636 815739927 /nfs/dbraw/zinc/73/99/27/815739927.db2.gz DNYDAQWUSVUXQY-NEPJUHHUSA-N 2 0 265.361 -0.189 20 0 CBADRP CCN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)[C@H]1CCC[NH2+]C1 ZINC001161331440 815740968 /nfs/dbraw/zinc/74/09/68/815740968.db2.gz XORZXZCPZJLATM-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP CCN(C(=O)[C@H]1C[NH2+][C@@H]2CCO[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC001161329825 815741044 /nfs/dbraw/zinc/74/10/44/815741044.db2.gz CQZBGLXZZNBRPF-WUHRBBMRSA-N 2 0 267.373 -0.036 20 0 CBADRP CCN(C(=O)C1(O)CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001161329783 815741376 /nfs/dbraw/zinc/74/13/76/815741376.db2.gz CHKVRXNCKRIMFK-NSHDSACASA-N 2 0 255.362 -0.299 20 0 CBADRP CCN(C(=O)C1=NO[C@@H]2C[NH2+]C[C@H]12)[C@H]1CCC[NH2+]C1 ZINC001161332788 815742804 /nfs/dbraw/zinc/74/28/04/815742804.db2.gz PALLQGOUBFHFBZ-GARJFASQSA-N 2 0 266.345 -0.439 20 0 CBADRP CCN(C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2)[C@@H]1CCC[NH2+]C1 ZINC001161333154 815742948 /nfs/dbraw/zinc/74/29/48/815742948.db2.gz SAQPTJXSTQIGHS-BYNQJWBRSA-N 2 0 266.389 -0.191 20 0 CBADRP CCN(C(=O)[C@@]12C[NH2+][C@@H](CO1)C2)[C@@H]1CCC[NH2+]C1 ZINC001161333751 815743014 /nfs/dbraw/zinc/74/30/14/815743014.db2.gz XDGOVUMVXJYFMB-NQBHXWOUSA-N 2 0 253.346 -0.282 20 0 CBADRP CC(C)N(C(=O)[C@@H]([NH3+])Cc1cnc[nH]1)[C@H]1CC[NH2+]C1 ZINC001161350663 815745358 /nfs/dbraw/zinc/74/53/58/815745358.db2.gz AUCHTDFVHAQJMH-RYUDHWBXSA-N 2 0 265.361 -0.122 20 0 CBADRP CCN(C(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161339088 815745570 /nfs/dbraw/zinc/74/55/70/815745570.db2.gz IYPZMMYZKGOEKZ-XQQFMLRXSA-N 2 0 296.415 -0.075 20 0 CBADRP CCN(C(=O)[C@@H]1C[N@H+](C)CCN1C)[C@@H]1CCC[NH2+]C1 ZINC001161339032 815745757 /nfs/dbraw/zinc/74/57/57/815745757.db2.gz HWXUAECADDWJGZ-OLZOCXBDSA-N 2 0 268.405 -0.167 20 0 CBADRP CCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)[C@H]1CCC[NH2+]C1 ZINC001161340653 815745867 /nfs/dbraw/zinc/74/58/67/815745867.db2.gz RVVRWDAXSQIRJZ-FHGNATFXSA-N 2 0 275.418 -0.317 20 0 CBADRP CCN(C(=O)[C@H]1C[N@H+](C)CCN1C)[C@@H]1CCC[NH2+]C1 ZINC001161339031 815745937 /nfs/dbraw/zinc/74/59/37/815745937.db2.gz HWXUAECADDWJGZ-CHWSQXEVSA-N 2 0 268.405 -0.167 20 0 CBADRP CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC001161342144 815746203 /nfs/dbraw/zinc/74/62/03/815746203.db2.gz ZJDZYRCEAGZQEY-KGLIPLIRSA-N 3 0 297.447 -0.663 20 0 CBADRP CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1OC(C)=O)[C@@H]1CCC[NH2+]C1 ZINC001161339864 815746365 /nfs/dbraw/zinc/74/63/65/815746365.db2.gz NEGGUIHSIFTQEO-JHJVBQTASA-N 2 0 283.372 -0.262 20 0 CBADRP CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)[C@@H]1CCC[NH2+]C1 ZINC001161340655 815746395 /nfs/dbraw/zinc/74/63/95/815746395.db2.gz RVVRWDAXSQIRJZ-LIBAHTEVSA-N 2 0 275.418 -0.317 20 0 CBADRP CC(C)N(C(=O)CN1CCCC[C@H]([NH3+])C1=O)[C@H]1CC[NH2+]C1 ZINC001161353774 815746913 /nfs/dbraw/zinc/74/69/13/815746913.db2.gz ZHIUBTSEHFYQLL-STQMWFEESA-N 2 0 296.415 -0.075 20 0 CBADRP CC(C)N(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001161353788 815747614 /nfs/dbraw/zinc/74/76/14/815747614.db2.gz ZSRPOISLACLHPQ-QWHCGFSZSA-N 3 0 268.405 -0.088 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161382497 815748576 /nfs/dbraw/zinc/74/85/76/815748576.db2.gz ZILDCKGKBWXSGO-NEPJUHHUSA-N 2 0 271.361 -0.981 20 0 CBADRP N[C@@]1(C(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)CC[NH2+]C1 ZINC001161387823 815748788 /nfs/dbraw/zinc/74/87/88/815748788.db2.gz FFOVHFPSULPDHA-OCCSQVGLSA-N 2 0 282.388 -1.000 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161378901 815749105 /nfs/dbraw/zinc/74/91/05/815749105.db2.gz NXTAYUSHXCVZMF-STQMWFEESA-N 3 0 283.420 -0.923 20 0 CBADRP N[C@]1(C(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)CCC[NH2+]C1 ZINC001161387971 815749830 /nfs/dbraw/zinc/74/98/30/815749830.db2.gz GUBKUQLIBAQKTA-DZGCQCFKSA-N 2 0 296.415 -0.610 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161388725 815750270 /nfs/dbraw/zinc/75/02/70/815750270.db2.gz KVNFAKGBEXICAU-KGLIPLIRSA-N 2 0 297.399 -0.312 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412336 815751733 /nfs/dbraw/zinc/75/17/33/815751733.db2.gz JOAWGSLRKQTUDX-FQUUOJAGSA-N 2 0 296.415 -0.184 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412045 815752077 /nfs/dbraw/zinc/75/20/77/815752077.db2.gz FKLXWOSKLZKZHL-OHBODLIOSA-N 2 0 263.345 -0.525 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161413863 815752122 /nfs/dbraw/zinc/75/21/22/815752122.db2.gz RLYPXAAPMHWMRJ-JNLQPACOSA-N 2 0 296.415 -0.328 20 0 CBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CC[NH2+]C[C@H]4O3)C[C@H]12 ZINC001161414689 815752979 /nfs/dbraw/zinc/75/29/79/815752979.db2.gz YPIXQTZWGSOVAD-AJSWTNHPSA-N 2 0 279.384 -0.051 20 0 CBADRP N=c1ncc(C[NH3+])cn1-c1ccc2c(n1)CC[NH2+]C2 ZINC001161414570 815753074 /nfs/dbraw/zinc/75/30/74/815753074.db2.gz BUZIUINIEDIJKA-UHFFFAOYSA-N 2 0 256.313 -0.149 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161423784 815753732 /nfs/dbraw/zinc/75/37/32/815753732.db2.gz NRTVGMHGZHODNE-NEPJUHHUSA-N 2 0 282.388 -0.608 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161421953 815754111 /nfs/dbraw/zinc/75/41/11/815754111.db2.gz YSNDRMFTEVRXNC-LBPRGKRZSA-N 2 0 252.362 -0.756 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@]1(C)COCCN1)[C@H]1CCC[NH2+]C1 ZINC001161444660 815755467 /nfs/dbraw/zinc/75/54/67/815755467.db2.gz JRXOPNGBHURWLP-ZFWWWQNUSA-N 2 0 298.431 -0.493 20 0 CBADRP C[NH+](C)CCN(C(=O)[C@@H]1CSCN1)[C@@H]1CCC[NH2+]C1 ZINC001161442527 815755869 /nfs/dbraw/zinc/75/58/69/815755869.db2.gz CMFSJGGSDAMBAW-NEPJUHHUSA-N 2 0 286.445 -0.209 20 0 CBADRP C[NH+](C)CCN(C(=O)C12CC(C1)C[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC001161444882 815756126 /nfs/dbraw/zinc/75/61/26/815756126.db2.gz LQVZARBRKJMBSD-OWYJLGKBSA-N 3 0 280.416 -0.119 20 0 CBADRP COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]1C ZINC001161459214 815757091 /nfs/dbraw/zinc/75/70/91/815757091.db2.gz AODXAZUWFXKCCC-DCAQKATOSA-N 2 0 271.361 -0.290 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@]1(C)CC[NH2+]C1)CC2 ZINC001161479298 815758329 /nfs/dbraw/zinc/75/83/29/815758329.db2.gz JVFFAYKXVKMUIO-GLQYFDAESA-N 2 0 295.383 -0.260 20 0 CBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CCCC[NH2+]1)CC2 ZINC001161478121 815758712 /nfs/dbraw/zinc/75/87/12/815758712.db2.gz KSISYPLXZLISBP-ZOWXZIJZSA-N 2 0 295.383 -0.118 20 0 CBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](C)[NH3+])CC2 ZINC001161478205 815758717 /nfs/dbraw/zinc/75/87/17/815758717.db2.gz LJBSZEKKRMDKTH-VDDIYKPWSA-N 2 0 255.318 -0.913 20 0 CBADRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@]2(N)CCC[NH2+]C2)C1 ZINC001161487763 815759807 /nfs/dbraw/zinc/75/98/07/815759807.db2.gz IKNBFVQINRPYHF-STQMWFEESA-N 2 0 254.378 -0.345 20 0 CBADRP CO[C@@H]1CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C[C@@H]1[NH3+] ZINC001161493148 815761597 /nfs/dbraw/zinc/76/15/97/815761597.db2.gz DMBSGIFNQFGZEY-GARJFASQSA-N 3 0 258.366 -0.983 20 0 CBADRP C[N@H+](C1CN(C(=O)C2CC[NH2+]CC2)C1)[C@H]1CCOC1 ZINC001161499124 815763571 /nfs/dbraw/zinc/76/35/71/815763571.db2.gz OCWXCYHAZFNWJT-LBPRGKRZSA-N 2 0 267.373 -0.083 20 0 CBADRP C[N@H+](C1CN(C(=O)[C@@H]2CC[NH2+]C[C@H]2F)C1)[C@H]1CCOC1 ZINC001161498606 815763610 /nfs/dbraw/zinc/76/36/10/815763610.db2.gz GMQSSKDQHSJJOM-CYZMBNFOSA-N 2 0 285.363 -0.135 20 0 CBADRP N[C@@H](C[NH3+])c1ccc(C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)cc1 ZINC001161507280 815764592 /nfs/dbraw/zinc/76/45/92/815764592.db2.gz RTSILXDTIOTKRU-QWHCGFSZSA-N 2 0 290.367 -0.555 20 0 CBADRP [NH3+][C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161508657 815764686 /nfs/dbraw/zinc/76/46/86/815764686.db2.gz FWMIVCYSWZTXHF-CSYMLDBXSA-N 2 0 265.357 -0.454 20 0 CBADRP [NH3+][C@@H](Cc1cccc(O)c1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161510321 815764963 /nfs/dbraw/zinc/76/49/63/815764963.db2.gz NBYBWQQGUKYLCK-STQMWFEESA-N 2 0 291.351 -0.552 20 0 CBADRP [NH3+][C@@H](CC1CCC1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161507761 815765023 /nfs/dbraw/zinc/76/50/23/815765023.db2.gz ABBUCKIXJUPMPR-WDEREUQCSA-N 2 0 253.346 -0.310 20 0 CBADRP [NH3+][C@H](C(=O)N1C[C@H]([NH3+])C2(COC2)C1)c1ccccc1 ZINC001161501607 815765027 /nfs/dbraw/zinc/76/50/27/815765027.db2.gz ZMRYIWHHGOVSSF-RYUDHWBXSA-N 2 0 261.325 -0.128 20 0 CBADRP C[NH2+][C@H](C(=O)N1C[C@@H]([NH3+])C2(COC2)C1)[C@@H](C)OC(C)(C)C ZINC001161509829 815765118 /nfs/dbraw/zinc/76/51/18/815765118.db2.gz LHJXMOYDLSODAQ-UTUOFQBUSA-N 2 0 299.415 -0.036 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001161526803 815767318 /nfs/dbraw/zinc/76/73/18/815767318.db2.gz KGHSRUFOLCLNME-YWVKMMECSA-N 2 0 251.334 -0.762 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC2(C1)C[NH+](C)C2 ZINC001161532688 815767587 /nfs/dbraw/zinc/76/75/87/815767587.db2.gz WWOKOWVXMDCDJN-JQWIXIFHSA-N 2 0 282.388 -0.750 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161530376 815768533 /nfs/dbraw/zinc/76/85/33/815768533.db2.gz XVKJFTGPNSLPTR-HNCHTBHHSA-N 3 0 252.362 -0.866 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161544636 815769218 /nfs/dbraw/zinc/76/92/18/815769218.db2.gz CKVFTFUECPJUKA-NSHDSACASA-N 2 0 263.345 -0.746 20 0 CBADRP O=C([C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21)N1CC[NH2+]C2(CC2)C1 ZINC001161551054 815771848 /nfs/dbraw/zinc/77/18/48/815771848.db2.gz ZOSOULINPNVWRW-QJPTWQEYSA-N 2 0 265.357 -0.425 20 0 CBADRP [NH3+]C1CCN(CCNc2ncc3c(n2)CC[NH2+]C3)CC1 ZINC001161867599 815791664 /nfs/dbraw/zinc/79/16/64/815791664.db2.gz SEQICWVELYVBQT-UHFFFAOYSA-N 2 0 276.388 -0.043 20 0 CBADRP NC(=O)c1cncc(NCCC[NH2+]CCCC[NH3+])n1 ZINC001162290469 815810326 /nfs/dbraw/zinc/81/03/26/815810326.db2.gz VNKFPOONSQXBRB-UHFFFAOYSA-N 2 0 266.349 -0.294 20 0 CBADRP [NH3+]Cc1cn(-c2ccnc(N3CC[NH2+]CC3)n2)cn1 ZINC001162294112 815810773 /nfs/dbraw/zinc/81/07/73/815810773.db2.gz OKMITBZZIHMHEO-UHFFFAOYSA-N 2 0 259.317 -0.469 20 0 CBADRP COCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162851951 815845533 /nfs/dbraw/zinc/84/55/33/815845533.db2.gz UIWOVIWINQCHRU-OWYJLGKBSA-N 2 0 297.399 -0.408 20 0 CBADRP [NH3+][C@H]1COC[C@H]1Nc1cncc(N2CCC([NH3+])CC2)n1 ZINC001162916985 815847727 /nfs/dbraw/zinc/84/77/27/815847727.db2.gz HISFECWDDILLDK-WDEREUQCSA-N 2 0 278.360 -0.458 20 0 CBADRP C[NH2+]Cc1cc(N[C@H]2COCCC23C[NH2+]C3)ncn1 ZINC001163068921 815857021 /nfs/dbraw/zinc/85/70/21/815857021.db2.gz LDROYPSRXZLFCU-NSHDSACASA-N 2 0 263.345 -0.014 20 0 CBADRP C[NH2+]Cc1cc(NC[C@]23C[NH2+]C[C@H]2COC3)ncn1 ZINC001163153369 815862474 /nfs/dbraw/zinc/86/24/74/815862474.db2.gz MGNIFXPZLZESAJ-GWCFXTLKSA-N 2 0 263.345 -0.156 20 0 CBADRP c1cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)nc(N2CC[NH2+]CC2)n1 ZINC001163191142 815863984 /nfs/dbraw/zinc/86/39/84/815863984.db2.gz GYKBXMURYRSLON-BXUZGUMPSA-N 2 0 290.371 -0.571 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cc3c(nn2)C[NH2+]C3)N1 ZINC001163238901 815868616 /nfs/dbraw/zinc/86/86/16/815868616.db2.gz PRVKHOUWUDAZNV-BXKDBHETSA-N 2 0 260.301 -0.930 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cccnc2OC2C[NH2+]C2)N1 ZINC001163253832 815875285 /nfs/dbraw/zinc/87/52/85/815875285.db2.gz NHTGTAWFVZMBAE-RISCZKNCSA-N 2 0 289.339 -0.578 20 0 CBADRP c1cc(N2CC[NH2+]CC2)nc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)n1 ZINC001163331564 815877478 /nfs/dbraw/zinc/87/74/78/815877478.db2.gz DDTLDUUFPRXTQT-MDZLAQPJSA-N 2 0 290.371 -0.573 20 0 CBADRP c1cc(C2C[NH2+]C2)nc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)n1 ZINC001163342140 815879151 /nfs/dbraw/zinc/87/91/51/815879151.db2.gz DIMRSAKAGOLTAO-WOPDTQHZSA-N 2 0 261.329 -0.295 20 0 CBADRP C[NH2+]C1CN(c2ncccc2C(=O)N2CC[NH2+]CC2)C1 ZINC001163706113 815896877 /nfs/dbraw/zinc/89/68/77/815896877.db2.gz IGHGXBMGUDWRMU-UHFFFAOYSA-N 2 0 275.356 -0.465 20 0 CBADRP C[NH2+]CCN(C)c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001163720716 815898280 /nfs/dbraw/zinc/89/82/80/815898280.db2.gz JZDVXCVNLMAJHP-UHFFFAOYSA-N 2 0 277.372 -0.217 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001293334849 816516724 /nfs/dbraw/zinc/51/67/24/816516724.db2.gz ZMPHPCAYWMVTSD-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(CCOCC[N@H+](C)CCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001316759519 816876003 /nfs/dbraw/zinc/87/60/03/816876003.db2.gz ABRFJBIXZNJSMR-ZDUSSCGKSA-N 2 0 287.404 -0.520 20 0 CBADRP CN(CCOCC[N@H+](C)CCO)C(=O)[C@H]1CCC[NH+]1C ZINC001316759518 816877422 /nfs/dbraw/zinc/87/74/22/816877422.db2.gz ABRFJBIXZNJSMR-CYBMUJFWSA-N 2 0 287.404 -0.520 20 0 CBADRP CNC(=O)C[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001316825826 816884059 /nfs/dbraw/zinc/88/40/59/816884059.db2.gz VVPFMKNBAORQGY-ZDUSSCGKSA-N 2 0 296.415 -0.488 20 0 CBADRP C[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)CC(N)=O ZINC001316859017 816895190 /nfs/dbraw/zinc/89/51/90/816895190.db2.gz JQDUILCIEZCAHZ-NSHDSACASA-N 2 0 270.377 -0.748 20 0 CBADRP CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)[C@@H](C)C(N)=O ZINC001316906416 816901650 /nfs/dbraw/zinc/90/16/50/816901650.db2.gz AUBRVJXOCQZWBQ-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NC ZINC001316909709 816902882 /nfs/dbraw/zinc/90/28/82/816902882.db2.gz UNUZUBHOBOCYRH-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP O=C(C[NH+]1CCCC1)NCCCN1CC[NH+](CCO)CC1 ZINC001316965680 816907839 /nfs/dbraw/zinc/90/78/39/816907839.db2.gz AYFYVAZFNDGXER-UHFFFAOYSA-N 2 0 298.431 -0.802 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001316966876 816908285 /nfs/dbraw/zinc/90/82/85/816908285.db2.gz JTKCGAITQRQIDL-UHFFFAOYSA-N 2 0 256.394 -0.308 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](C[C@@H](C)O)C1 ZINC001316990607 816917203 /nfs/dbraw/zinc/91/72/03/816917203.db2.gz CHTQKWCQDKRSGE-VXGBXAGGSA-N 2 0 257.378 -0.101 20 0 CBADRP O=C(NC[C@@H]([NH2+]CCCO)C1CC1)C12CC[NH+](CC1)C2 ZINC001317031859 816922692 /nfs/dbraw/zinc/92/26/92/816922692.db2.gz ZOFTYYMTAPIGNS-CYBMUJFWSA-N 2 0 281.400 -0.051 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOCCO)C1 ZINC001317115162 816933886 /nfs/dbraw/zinc/93/38/86/816933886.db2.gz LFFCTFLANZJADT-HZSPNIEDSA-N 2 0 299.415 -0.284 20 0 CBADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]C[C@H](C)O ZINC001317244934 816948758 /nfs/dbraw/zinc/94/87/58/816948758.db2.gz FPVWOSANNYLWPZ-MNOVXSKESA-N 2 0 257.378 -0.054 20 0 CBADRP C[C@@H](O)C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001317244928 816948983 /nfs/dbraw/zinc/94/89/83/816948983.db2.gz FPVWOSANNYLWPZ-GHMZBOCLSA-N 2 0 257.378 -0.054 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC)[NH+](C)C ZINC001317283276 816957944 /nfs/dbraw/zinc/95/79/44/816957944.db2.gz MLZUZRPZSPGRKI-NXEZZACHSA-N 2 0 258.366 -0.833 20 0 CBADRP CCC[N@H+](CCO)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001317542710 817008237 /nfs/dbraw/zinc/00/82/37/817008237.db2.gz ITPFMKRLCAHJQA-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP CN(CC[NH2+]CCNC(=O)C1CC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001317574082 817016682 /nfs/dbraw/zinc/01/66/82/817016682.db2.gz UIHUQUKXQXMYNE-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP CCNC(=O)C[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001317623337 817032972 /nfs/dbraw/zinc/03/29/72/817032972.db2.gz LGCFIXJSSPBPIQ-UHFFFAOYSA-N 2 0 284.404 -0.488 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CCCO)C1 ZINC001317625815 817032987 /nfs/dbraw/zinc/03/29/87/817032987.db2.gz JPARDTDZQLTWNI-LBPRGKRZSA-N 2 0 257.378 -0.241 20 0 CBADRP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001317653875 817040874 /nfs/dbraw/zinc/04/08/74/817040874.db2.gz JDVFPSMSKKGIGX-LBPRGKRZSA-N 2 0 282.392 -0.297 20 0 CBADRP CCn1nncc1C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317661580 817041596 /nfs/dbraw/zinc/04/15/96/817041596.db2.gz OOHSAEXYAAFDEB-GFCCVEGCSA-N 2 0 294.403 -0.202 20 0 CBADRP CN(CC[NH2+]CCn1cccn1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001317661078 817043141 /nfs/dbraw/zinc/04/31/41/817043141.db2.gz HRKGHMSQVKOHRO-ZDUSSCGKSA-N 2 0 279.388 -0.117 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCOCCO)C2)C1 ZINC001318275565 817093629 /nfs/dbraw/zinc/09/36/29/817093629.db2.gz BDVCOFBYKBBPKY-KBPBESRZSA-N 2 0 299.415 -0.472 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC1CCC1 ZINC001320199360 817289322 /nfs/dbraw/zinc/28/93/22/817289322.db2.gz BMYSPEXWDJQMJX-QWHCGFSZSA-N 2 0 269.389 -0.053 20 0 CBADRP CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001320218726 817295742 /nfs/dbraw/zinc/29/57/42/817295742.db2.gz UKTGAGZDHHZJLA-NEPJUHHUSA-N 2 0 257.378 -0.054 20 0 CBADRP CC(C)[NH2+]C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001320233709 817299304 /nfs/dbraw/zinc/29/93/04/817299304.db2.gz IHAPQAZBAKYOFN-NSHDSACASA-N 2 0 257.378 -0.054 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](O)C[NH2+]CCO)C1 ZINC001320262355 817307835 /nfs/dbraw/zinc/30/78/35/817307835.db2.gz GYPQUNUZLCZFKI-QWHCGFSZSA-N 2 0 287.404 -0.833 20 0 CBADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](O)C[NH2+]CCO)C1 ZINC001320262356 817308009 /nfs/dbraw/zinc/30/80/09/817308009.db2.gz GYPQUNUZLCZFKI-STQMWFEESA-N 2 0 287.404 -0.833 20 0 CBADRP C[C@@H](CC[NH2+]CCO)NC(=O)C1([NH+](C)C)CCC1 ZINC001320445578 817338705 /nfs/dbraw/zinc/33/87/05/817338705.db2.gz ICJUDXWHBLAOEE-NSHDSACASA-N 2 0 257.378 -0.053 20 0 CBADRP CCN(CC[NH2+]C[C@@H](C)O)C(=O)C[NH+]1CCCC1 ZINC001320921573 817411185 /nfs/dbraw/zinc/41/11/85/817411185.db2.gz NLLAWRHYQFKUPI-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP CN1CC[C@H]([NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001320999914 817425950 /nfs/dbraw/zinc/42/59/50/817425950.db2.gz WAWPHQPNJLREKR-HORCIZIBSA-N 2 0 294.399 -0.427 20 0 CBADRP CN1CC[C@H]([NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001320999916 817426400 /nfs/dbraw/zinc/42/64/00/817426400.db2.gz WAWPHQPNJLREKR-RSNNXLNZSA-N 2 0 294.399 -0.427 20 0 CBADRP COC[C@H](O)C[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001321224186 817465519 /nfs/dbraw/zinc/46/55/19/817465519.db2.gz QCZITKZQLXWMIS-VQTKUKTRSA-N 2 0 299.415 -0.403 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2CCN(C=O)CC2)C1 ZINC001321282018 817473190 /nfs/dbraw/zinc/47/31/90/817473190.db2.gz HMCZYXLLWQYRMA-CYBMUJFWSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[C@H](C(=O)NC/C=C/C[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C ZINC001321337575 817484646 /nfs/dbraw/zinc/48/46/46/817484646.db2.gz PCYYEKQHXHTLAG-VFZNBBLXSA-N 2 0 296.415 -0.181 20 0 CBADRP CC[C@H](C(=O)NC/C=C\C[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001321337576 817484657 /nfs/dbraw/zinc/48/46/57/817484657.db2.gz PCYYEKQHXHTLAG-ZSBJFDRYSA-N 2 0 296.415 -0.181 20 0 CBADRP C[NH+](C)CC1CCC(NC(=O)[C@@H](N)CC[NH3+])CC1 ZINC001221402629 825182497 /nfs/dbraw/zinc/18/24/97/825182497.db2.gz KEBGICWLDUKCQA-MCIGGMRASA-N 2 0 256.394 -0.101 20 0 CBADRP C[C@@H]1CC[C@@H](C[NH3+])N(S(=O)(=O)[C@@H]2CC[NH2+]C2)C1 ZINC001238947387 825575591 /nfs/dbraw/zinc/57/55/91/825575591.db2.gz KGKYYKGSFUMEJV-OUAUKWLOSA-N 2 0 261.391 -0.263 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@@H]1CCCC(=O)N1 ZINC001253216213 825906995 /nfs/dbraw/zinc/90/69/95/825906995.db2.gz KRXQNIDZFIIILI-RYUDHWBXSA-N 2 0 257.378 -0.053 20 0 CBADRP [NH3+]CCN(CCO)c1ccc(O[C@H]2CCC[NH2+]C2)nn1 ZINC001163829994 819856126 /nfs/dbraw/zinc/85/61/26/819856126.db2.gz NNIWHKFQBAGUNX-NSHDSACASA-N 2 0 281.360 -0.635 20 0 CBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCO)C1 ZINC001164536693 819922451 /nfs/dbraw/zinc/92/24/51/819922451.db2.gz WEVPKHLPUCRQOZ-LBPRGKRZSA-N 2 0 273.377 -0.816 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]CCO)CC[N@@H+]1C ZINC001164576348 819932172 /nfs/dbraw/zinc/93/21/72/819932172.db2.gz AYQUIPPONBONNM-RYUDHWBXSA-N 2 0 257.378 -0.195 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165253012 819943994 /nfs/dbraw/zinc/94/39/94/819943994.db2.gz FAGYILIPTTXFBZ-GFCCVEGCSA-N 2 0 287.404 -0.569 20 0 CBADRP C[C@@H](O)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165262890 819944408 /nfs/dbraw/zinc/94/44/08/819944408.db2.gz KZESZGRWNPDDER-LLVKDONJSA-N 2 0 257.378 -0.195 20 0 CBADRP OC[C@@]12C[NH2+]C[C@@H]1CN(c1cc3c(nn1)CC[NH2+]C3)C2 ZINC001165283041 819947594 /nfs/dbraw/zinc/94/75/94/819947594.db2.gz NWTFWHOWGQYKIH-RISCZKNCSA-N 2 0 275.356 -0.860 20 0 CBADRP c1ncc(N2CC[NH2+]CC2)nc1N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001165299404 819952885 /nfs/dbraw/zinc/95/28/85/819952885.db2.gz LSVJWLUPQJMUBX-NWDGAFQWSA-N 2 0 274.372 -0.173 20 0 CBADRP C[NH+](C)CCCC(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001165367523 819958319 /nfs/dbraw/zinc/95/83/19/819958319.db2.gz YKZRBYHEDIECOA-UHFFFAOYSA-N 2 0 293.433 -0.531 20 0 CBADRP C[NH+](C)CCCC(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001165366687 819958370 /nfs/dbraw/zinc/95/83/70/819958370.db2.gz DTPWPIVLFBMFJB-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCN1c1cc(C2C[NH2+]C2)ncn1 ZINC001165442350 819965860 /nfs/dbraw/zinc/96/58/60/819965860.db2.gz JWFAUWPTYALLSP-LLVKDONJSA-N 2 0 277.328 -0.885 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165772461 819981988 /nfs/dbraw/zinc/98/19/88/819981988.db2.gz RAIJTBRXWZJWKD-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165794312 819983343 /nfs/dbraw/zinc/98/33/43/819983343.db2.gz RGOWEFACKPUCPA-UHFFFAOYSA-N 2 0 286.420 -0.099 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001165801302 819983601 /nfs/dbraw/zinc/98/36/01/819983601.db2.gz TZZMXRKGKZFANX-ZDUSSCGKSA-N 2 0 297.403 -0.708 20 0 CBADRP CCn1ncnc1C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165794012 819983654 /nfs/dbraw/zinc/98/36/54/819983654.db2.gz HHDLNVAMQVSRGY-UHFFFAOYSA-N 2 0 282.392 -0.154 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001165794258 819983701 /nfs/dbraw/zinc/98/37/01/819983701.db2.gz PDRVDUFJPWHXKN-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CC(C)n1nnnc1C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165793813 819983774 /nfs/dbraw/zinc/98/37/74/819983774.db2.gz BFZATROFJXFTLY-UHFFFAOYSA-N 2 0 297.407 -0.198 20 0 CBADRP CCN1CC[C@@H]([NH2+]CCCNC(=O)CC[NH+](C)C)C1=O ZINC001165781609 819983799 /nfs/dbraw/zinc/98/37/99/819983799.db2.gz VSGWZKDIZKPKRB-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[NH+](C)CCC(=O)NCCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001165781173 819983841 /nfs/dbraw/zinc/98/38/41/819983841.db2.gz JPDWAGGKLZOTOH-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP CC(C)[C@H](C(=O)NCCC[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001166004557 819988997 /nfs/dbraw/zinc/98/89/97/819988997.db2.gz RMICRNDDEVZEIN-CYBMUJFWSA-N 2 0 296.419 -0.003 20 0 CBADRP CC(C)[C@H](C(=O)NCCC[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C ZINC001166010194 819990192 /nfs/dbraw/zinc/99/01/92/819990192.db2.gz KDMVNWNADTVXBA-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP [NH3+]CCc1nccn1-c1nccc(N2CC[NH2+]CC2)n1 ZINC001166276877 819997001 /nfs/dbraw/zinc/99/70/01/819997001.db2.gz MPWYRPURCVKXRF-UHFFFAOYSA-N 2 0 273.344 -0.427 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166627115 820009224 /nfs/dbraw/zinc/00/92/24/820009224.db2.gz QGBOHSCJJFQEBP-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]Cc1ncnn1C ZINC001166633629 820009346 /nfs/dbraw/zinc/00/93/46/820009346.db2.gz IWZIRPHGWYAHBP-LBPRGKRZSA-N 2 0 294.403 -0.105 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166627179 820010086 /nfs/dbraw/zinc/01/00/86/820010086.db2.gz RNHLNXKYTXYUTC-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP COC[C@H](O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166627635 820010810 /nfs/dbraw/zinc/01/08/10/820010810.db2.gz XXQVGEVQOIZEBW-QWHCGFSZSA-N 2 0 287.404 -0.426 20 0 CBADRP CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166668214 820012894 /nfs/dbraw/zinc/01/28/94/820012894.db2.gz VRWXUOBSYHZPPG-GFCCVEGCSA-N 2 0 284.404 -0.440 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001166677801 820013230 /nfs/dbraw/zinc/01/32/30/820013230.db2.gz NKESSIQMJYXAGQ-CHWSQXEVSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(N)=O ZINC001166676648 820013593 /nfs/dbraw/zinc/01/35/93/820013593.db2.gz AJUDTIDPJQPVPF-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CCOCCO)C1 ZINC001166677962 820013670 /nfs/dbraw/zinc/01/36/70/820013670.db2.gz REFQJWLKYLNAED-ZDUSSCGKSA-N 2 0 287.404 -0.567 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CCOCCO)C1 ZINC001166677961 820014194 /nfs/dbraw/zinc/01/41/94/820014194.db2.gz REFQJWLKYLNAED-CYBMUJFWSA-N 2 0 287.404 -0.567 20 0 CBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166694034 820015791 /nfs/dbraw/zinc/01/57/91/820015791.db2.gz UUCZZXJBZVLHPS-WDEREUQCSA-N 2 0 270.377 -0.974 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001166678938 820016182 /nfs/dbraw/zinc/01/61/82/820016182.db2.gz ZLIFDQHHMYFQLQ-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP COCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166695068 820016263 /nfs/dbraw/zinc/01/62/63/820016263.db2.gz ZSTVLLVDXNGHQL-RYUDHWBXSA-N 2 0 257.378 -0.074 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001166707988 820018117 /nfs/dbraw/zinc/01/81/17/820018117.db2.gz LEOPFPLFISNYAR-OLZOCXBDSA-N 2 0 296.415 -0.488 20 0 CBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166707961 820019414 /nfs/dbraw/zinc/01/94/14/820019414.db2.gz KSQISNQKSQAYJU-OLZOCXBDSA-N 2 0 298.431 -0.195 20 0 CBADRP C[C@H]([NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1)C(N)=O ZINC001166744205 820035099 /nfs/dbraw/zinc/03/50/99/820035099.db2.gz LXSJGDSBXCHQHE-NSHDSACASA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H]([NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1)C(N)=O ZINC001166744204 820035835 /nfs/dbraw/zinc/03/58/35/820035835.db2.gz LXSJGDSBXCHQHE-LLVKDONJSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH+](C)CCC(=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001166971146 820058013 /nfs/dbraw/zinc/05/80/13/820058013.db2.gz IZSAIHIULUFBNJ-LBPRGKRZSA-N 2 0 296.415 -0.297 20 0 CBADRP [NH3+][C@H]1CN(c2ccc(OCC3CC[NH2+]CC3)nn2)C[C@H]1O ZINC001167090182 820069576 /nfs/dbraw/zinc/06/95/76/820069576.db2.gz VXCHEZOZPVEEHI-NWDGAFQWSA-N 2 0 293.371 -0.637 20 0 CBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001167236107 820076786 /nfs/dbraw/zinc/07/67/86/820076786.db2.gz HVGLBJMAMZXZBS-NWDGAFQWSA-N 2 0 296.415 -0.455 20 0 CBADRP C[NH+]1CCC(CC(=O)NCCC[NH2+]CC(N)=O)CC1 ZINC001167655040 820107426 /nfs/dbraw/zinc/10/74/26/820107426.db2.gz CMAHDEKGHVLTDI-UHFFFAOYSA-N 2 0 270.377 -0.701 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC2(C[NH2+]CC(N)=O)CC2)C1 ZINC001167736903 820113684 /nfs/dbraw/zinc/11/36/84/820113684.db2.gz LJWIFYVKAUPUMA-LBPRGKRZSA-N 2 0 296.415 -0.310 20 0 CBADRP [NH3+]CCc1nnn(-c2c[nH+]ccc2N2CCOCC2)n1 ZINC001167790510 820117893 /nfs/dbraw/zinc/11/78/93/820117893.db2.gz ICNJXSHNFGMYRH-UHFFFAOYSA-N 2 0 275.316 -0.605 20 0 CBADRP [NH3+]CCc1nnn(-c2ccc3c(C4C[NH2+]C4)ncn3c2)n1 ZINC001167791120 820119472 /nfs/dbraw/zinc/11/94/72/820119472.db2.gz RXHOQKVLHOWPRK-UHFFFAOYSA-N 2 0 284.327 -0.502 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])Nc1nccc(N2CCOCC2)n1 ZINC001167879953 820124736 /nfs/dbraw/zinc/12/47/36/820124736.db2.gz VHXJCXVCDXFNDA-UHFFFAOYSA-N 2 0 293.375 -0.012 20 0 CBADRP COC(=O)c1cnccc1NC(=[NH2+])NCCCC[NH3+] ZINC001167881017 820125012 /nfs/dbraw/zinc/12/50/12/820125012.db2.gz CKZNXIREMOXRPM-UHFFFAOYSA-N 2 0 265.317 -0.035 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])Nc1ncc2c(n1)C[NH2+]CC2 ZINC001167879126 820125240 /nfs/dbraw/zinc/12/52/40/820125240.db2.gz YRBIHHZEADSMMG-UHFFFAOYSA-N 3 0 263.349 -0.203 20 0 CBADRP COC(=O)Cc1ccnc(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001167880650 820125428 /nfs/dbraw/zinc/12/54/28/820125428.db2.gz TYUFIWDYTSXKJU-UHFFFAOYSA-N 2 0 280.332 -0.133 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])Nc1ncnc2c1C[NH2+]CC2 ZINC001167879152 820125603 /nfs/dbraw/zinc/12/56/03/820125603.db2.gz GWGNLOBHAIACBQ-UHFFFAOYSA-N 3 0 263.349 -0.203 20 0 CBADRP COC(=O)[C@@H](CCC[NH3+])Nc1ncc2c(n1)C[NH2+]CC2 ZINC001167896426 820126720 /nfs/dbraw/zinc/12/67/20/820126720.db2.gz VTHCIBZRKVIRQJ-SNVBAGLBSA-N 2 0 279.344 -0.185 20 0 CBADRP N=C(Nc1nccc(N2CC[NH2+]CC2)n1)SCC[NH3+] ZINC001167910757 820128405 /nfs/dbraw/zinc/12/84/05/820128405.db2.gz WVNRKIHDNRKOPA-UHFFFAOYSA-N 2 0 281.389 -0.075 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC2(C[NH2+]CCO)CC2)C1 ZINC001168146424 820145109 /nfs/dbraw/zinc/14/51/09/820145109.db2.gz HVSYGHKBWHBVJM-GFCCVEGCSA-N 2 0 269.389 -0.194 20 0 CBADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C(=O)NCC(N)=O ZINC001168306170 820155855 /nfs/dbraw/zinc/15/58/55/820155855.db2.gz UWFDUONQMICODQ-WHXUTIOJSA-N 2 0 270.377 -0.561 20 0 CBADRP O=C1CO[C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)CN1 ZINC001168359394 820159404 /nfs/dbraw/zinc/15/94/04/820159404.db2.gz ABEOKRRIPQKXIJ-CYBMUJFWSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001168755274 820173752 /nfs/dbraw/zinc/17/37/52/820173752.db2.gz LMVMBASDMXRYRR-NSHDSACASA-N 2 0 298.387 -0.771 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]Cc1cn(C)nn1 ZINC001168755250 820175126 /nfs/dbraw/zinc/17/51/26/820175126.db2.gz KHRILHHSMGBYBJ-UHFFFAOYSA-N 2 0 282.392 -0.247 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]C[C@@H](O)COC ZINC001168755721 820176228 /nfs/dbraw/zinc/17/62/28/820176228.db2.gz QWHYJMZOWBKDQA-GFCCVEGCSA-N 2 0 275.393 -0.569 20 0 CBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001168755995 820177008 /nfs/dbraw/zinc/17/70/08/820177008.db2.gz SOYZJCFBWVPGJD-UHFFFAOYSA-N 2 0 293.433 -0.531 20 0 CBADRP Cc1nc([C@H]2CCC[NH2+]C2)cc(-n2nnnc2C[NH3+])n1 ZINC001168918813 820190667 /nfs/dbraw/zinc/19/06/67/820190667.db2.gz LUCJUYNISQXRIO-VIFPVBQESA-N 2 0 274.332 -0.314 20 0 CBADRP [NH3+]Cc1nnnn1-c1ncnc2sc3c(c21)CC[NH2+]C3 ZINC001168919265 820191673 /nfs/dbraw/zinc/19/16/73/820191673.db2.gz YPIUKFVJKCOHMX-UHFFFAOYSA-N 2 0 288.340 -0.229 20 0 CBADRP Cc1cc(OC2CC[NH2+]CC2)nc(-n2nnnc2C[NH3+])n1 ZINC001168918636 820191766 /nfs/dbraw/zinc/19/17/66/820191766.db2.gz IILIOESHOACVAD-UHFFFAOYSA-N 2 0 290.331 -0.650 20 0 CBADRP C[NH+]1CCN(c2cc(-n3cc(CC[NH3+])cn3)ncn2)CC1 ZINC001168945795 820194383 /nfs/dbraw/zinc/19/43/83/820194383.db2.gz CFKPICSAFWMKTD-UHFFFAOYSA-N 2 0 287.371 -0.085 20 0 CBADRP [NH3+]CCc1cnn(-c2cnc(O[C@@H]3CC[NH2+]C3)nc2)c1 ZINC001168948894 820196313 /nfs/dbraw/zinc/19/63/13/820196313.db2.gz DVZKQPBPGNABBA-GFCCVEGCSA-N 2 0 274.328 -0.096 20 0 CBADRP [NH3+][C@@H](CO)Cc1cncn1-c1ccc(OC2C[NH2+]C2)cn1 ZINC001169075890 820207038 /nfs/dbraw/zinc/20/70/38/820207038.db2.gz ZBJVEMCNGHCPAO-SNVBAGLBSA-N 2 0 289.339 -0.520 20 0 CBADRP CC1CC[NH+](CC(=O)NCCC[NH2+]CC(N)=O)CC1 ZINC001169126670 820210625 /nfs/dbraw/zinc/21/06/25/820210625.db2.gz DVFPYLMWWGSDAG-UHFFFAOYSA-N 2 0 270.377 -0.701 20 0 CBADRP CC1CC[NH+](CC(=O)NCCC[NH2+][C@H]2CCNC2=O)CC1 ZINC001169126641 820211373 /nfs/dbraw/zinc/21/13/73/820211373.db2.gz CJAIEUCNEFEIMN-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP Cc1cc(OC2CC[NH2+]CC2)nc(-n2nncc2C[NH3+])n1 ZINC001169309072 820226348 /nfs/dbraw/zinc/22/63/48/820226348.db2.gz YGKUUFGNXXHUFI-UHFFFAOYSA-N 2 0 289.343 -0.045 20 0 CBADRP [NH3+]Cc1cnnn1-c1ncccc1N1CC[NH2+]CC1 ZINC001169308799 820227111 /nfs/dbraw/zinc/22/71/11/820227111.db2.gz PVQJGGXSUAPTLQ-UHFFFAOYSA-N 2 0 259.317 -0.469 20 0 CBADRP CC(=O)N1CC[C@H]([NH2+]C[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])C1 ZINC001169507393 820249402 /nfs/dbraw/zinc/24/94/02/820249402.db2.gz SGZZHZVLSULQTI-DGAVXFQQSA-N 2 0 285.388 -0.078 20 0 CBADRP CC(=O)N1CC[C@H]([NH2+]CCCOCCOCCC[NH3+])C1 ZINC001169505278 820250485 /nfs/dbraw/zinc/25/04/85/820250485.db2.gz XMDRGRYNIWWAMW-AWEZNQCLSA-N 2 0 287.404 -0.031 20 0 CBADRP CC(=O)N1CC[C@@H](N2CC[NH+](CCCC[NH3+])CC2)C1 ZINC001169535309 820253629 /nfs/dbraw/zinc/25/36/29/820253629.db2.gz RVLWWMGMSINRDS-CQSZACIVSA-N 2 0 268.405 -0.036 20 0 CBADRP CC(=O)N1CCC[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C1 ZINC001169589734 820258879 /nfs/dbraw/zinc/25/88/79/820258879.db2.gz SWWLMDXDCOMKQF-NSHDSACASA-N 2 0 288.352 -0.865 20 0 CBADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@H]1CCCN(C(C)=O)C1 ZINC001169578947 820259123 /nfs/dbraw/zinc/25/91/23/820259123.db2.gz HVTCYLQFPXACCP-MNOVXSKESA-N 2 0 257.334 -0.665 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001170211974 820280098 /nfs/dbraw/zinc/28/00/98/820280098.db2.gz UMMYWBRYBSMMHZ-UHFFFAOYSA-N 2 0 284.404 -0.344 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)CC[N@H+](C)CC ZINC001170212425 820280262 /nfs/dbraw/zinc/28/02/62/820280262.db2.gz YGEZSVDMYWWAOI-UHFFFAOYSA-N 2 0 286.420 -0.098 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1nnnn1C ZINC001170211940 820281055 /nfs/dbraw/zinc/28/10/55/820281055.db2.gz SGEDJFOMFUWYSJ-UHFFFAOYSA-N 2 0 283.380 -0.852 20 0 CBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001170222464 820281846 /nfs/dbraw/zinc/28/18/46/820281846.db2.gz KIPHJOWTERTLKF-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP Cc1nc(NCCN(C)CC[NH3+])cc(N2CCOCC2)[nH+]1 ZINC001170501202 820295328 /nfs/dbraw/zinc/29/53/28/820295328.db2.gz WLAKYCPGUKFIQX-UHFFFAOYSA-N 2 0 294.403 -0.076 20 0 CBADRP COc1c(N[C@H](C)[C@@H]2C[NH2+]CCO2)ncnc1C1C[NH2+]C1 ZINC001170566605 820306066 /nfs/dbraw/zinc/30/60/66/820306066.db2.gz AGECDFKYWXJDTM-KOLCDFICSA-N 2 0 293.371 -0.039 20 0 CBADRP OC[C@H]1C[NH2+]C[C@@H]1Nc1cc(N2CCOCC2)cc[nH+]1 ZINC001170772420 820317092 /nfs/dbraw/zinc/31/70/92/820317092.db2.gz CIXMSRBINSIIJN-YPMHNXCESA-N 2 0 278.356 -0.090 20 0 CBADRP Cc1nc(N[C@@H]2C[NH2+]C[C@H]2CO)cc(N2CCOCC2)[nH+]1 ZINC001170773302 820317257 /nfs/dbraw/zinc/31/72/57/820317257.db2.gz MDLABQSKMYGRTL-NWDGAFQWSA-N 2 0 293.371 -0.386 20 0 CBADRP [NH3+]C1CCN(c2nccc(N[C@H]3C[NH2+]C[C@H]3CO)n2)CC1 ZINC001170779884 820322649 /nfs/dbraw/zinc/32/26/49/820322649.db2.gz YZRKSTYMLUKVOT-JQWIXIFHSA-N 2 0 292.387 -0.604 20 0 CBADRP CN(C)C(=O)c1ccc(N[C@@H]([NH3+])CCC[NH3+])nn1 ZINC001170897934 820332910 /nfs/dbraw/zinc/33/29/10/820332910.db2.gz QQDQVCUKIZUYEM-SECBINFHSA-N 2 0 252.322 -0.386 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(N2CCOCC2)nn1 ZINC001170895828 820333349 /nfs/dbraw/zinc/33/33/49/820333349.db2.gz YRZNEFXQDMWVPI-JTQLQIEISA-N 2 0 266.349 -0.251 20 0 CBADRP C[C@H]1CN(c2ccc(N[C@H]([NH3+])CCC[NH3+])nn2)CC[NH2+]1 ZINC001170897100 820333729 /nfs/dbraw/zinc/33/37/29/820333729.db2.gz DBTHOJBGXNNAFL-QWRGUYRKSA-N 3 0 279.392 -0.290 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])Nc1cncc(N2CCC([NH3+])CC2)n1 ZINC001170899479 820334308 /nfs/dbraw/zinc/33/43/08/820334308.db2.gz ZEHORAMGJGBEIN-LLVKDONJSA-N 3 0 279.392 -0.160 20 0 CBADRP NS(=O)(=O)Cc1ccc(N[C@@H]([NH3+])CCC[NH3+])nc1 ZINC001170899477 820335341 /nfs/dbraw/zinc/33/53/41/820335341.db2.gz ZDRVUODXPADNET-SECBINFHSA-N 2 0 273.362 -0.694 20 0 CBADRP COCCn1cc(N[C@H]([NH3+])CCC[NH3+])ncc1=O ZINC001170903231 820335394 /nfs/dbraw/zinc/33/53/94/820335394.db2.gz IDDUOPWQQSVOKR-VIFPVBQESA-N 2 0 255.322 -0.675 20 0 CBADRP CN1CCN(c2cc(N[C@H]([NH3+])CCC[NH3+])ncn2)CC1 ZINC001170898890 820336467 /nfs/dbraw/zinc/33/64/67/820336467.db2.gz RGILBAPLTFNXMX-NSHDSACASA-N 2 0 279.392 -0.336 20 0 CBADRP CCOC(=O)CN(CC[NH3+])c1ccnc(C[NH3+])c1 ZINC001170995662 820343270 /nfs/dbraw/zinc/34/32/70/820343270.db2.gz SFHHGMAZODMBRC-UHFFFAOYSA-N 2 0 252.318 -0.132 20 0 CBADRP Cc1nnc(C[NH2+]CCCNC(=O)COCC[NH+](C)C)[nH]1 ZINC001171204935 820348533 /nfs/dbraw/zinc/34/85/33/820348533.db2.gz ISHCUPOMJOSGTR-UHFFFAOYSA-N 2 0 298.391 -0.713 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CCCO)C1 ZINC001171227598 820350928 /nfs/dbraw/zinc/35/09/28/820350928.db2.gz QDRBYZSFWDNPED-LBPRGKRZSA-N 2 0 257.378 -0.194 20 0 CBADRP C[C@H](O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171227295 820352519 /nfs/dbraw/zinc/35/25/19/820352519.db2.gz NIUHNJWMMIRZFW-RYUDHWBXSA-N 2 0 257.378 -0.195 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CCOCCO)C1 ZINC001171228700 820352580 /nfs/dbraw/zinc/35/25/80/820352580.db2.gz UJVIXZDXVMZBSR-ZDUSSCGKSA-N 2 0 287.404 -0.567 20 0 CBADRP Cn1ncnc1C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303633 820355844 /nfs/dbraw/zinc/35/58/44/820355844.db2.gz UPQOCVWTINKPAO-UHFFFAOYSA-N 2 0 292.387 -0.493 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171294214 820356767 /nfs/dbraw/zinc/35/67/67/820356767.db2.gz RYYDHMVSTBJQBO-NSHDSACASA-N 2 0 282.388 -0.687 20 0 CBADRP CN1CC[C@@H]([NH2+]CCCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001171294169 820357269 /nfs/dbraw/zinc/35/72/69/820357269.db2.gz RANOMVHABQHTAX-GFCCVEGCSA-N 2 0 294.399 -0.591 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001171757962 820368605 /nfs/dbraw/zinc/36/86/05/820368605.db2.gz QURMVASMVDCPBW-UHFFFAOYSA-N 2 0 293.433 -0.531 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001171762587 820368807 /nfs/dbraw/zinc/36/88/07/820368807.db2.gz HBNCGKVDWZUDQB-LLVKDONJSA-N 2 0 270.377 -0.687 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001171770424 820369898 /nfs/dbraw/zinc/36/98/98/820369898.db2.gz QQWYYUOEHOCPRW-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001171726039 820370316 /nfs/dbraw/zinc/37/03/16/820370316.db2.gz UUNIWMOGXIXBRY-NSHDSACASA-N 2 0 272.393 -0.312 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])N[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172004622 820373993 /nfs/dbraw/zinc/37/39/93/820373993.db2.gz IZYHRGPEXMQGFC-JTQLQIEISA-N 2 0 267.377 -0.007 20 0 CBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NS(=O)(=O)CC[NH3+])C2 ZINC001172100225 820382231 /nfs/dbraw/zinc/38/22/31/820382231.db2.gz BKDMNQXNDGMCEZ-RTCCRHLQSA-N 2 0 261.391 -0.120 20 0 CBADRP COC(=O)CNC(=O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172118888 820382494 /nfs/dbraw/zinc/38/24/94/820382494.db2.gz UEHRVQJUPIFIOM-CNDDSTCGSA-N 2 0 283.372 -0.120 20 0 CBADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172164532 820387601 /nfs/dbraw/zinc/38/76/01/820387601.db2.gz BMLRAKLYJWWNDO-GMTAPVOTSA-N 2 0 269.345 -0.523 20 0 CBADRP CN(CC[NH3+])CC[NH2+][C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172163893 820388248 /nfs/dbraw/zinc/38/82/48/820388248.db2.gz KHYFGILDAJYHIH-RYUDHWBXSA-N 2 0 254.378 -0.380 20 0 CBADRP COCCC[NH+]1CCC(N[C@@H]2COC[C@H]2[NH3+])CC1 ZINC001172245639 820393359 /nfs/dbraw/zinc/39/33/59/820393359.db2.gz ZODMDJRHMCJVOD-CHWSQXEVSA-N 2 0 257.378 -0.197 20 0 CBADRP CN(CC[NH3+])CC[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173748177 820410704 /nfs/dbraw/zinc/41/07/04/820410704.db2.gz DGJZWPBFSMJNIA-NWDGAFQWSA-N 2 0 267.381 -0.363 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CCn2cccn2)C1 ZINC001176058441 820437587 /nfs/dbraw/zinc/43/75/87/820437587.db2.gz XKKCRHCGCFIHQY-ZDUSSCGKSA-N 2 0 279.388 -0.069 20 0 CBADRP Cn1ncc(C[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001176058420 820437662 /nfs/dbraw/zinc/43/76/62/820437662.db2.gz XEIPJLUAXANAJT-LLVKDONJSA-N 2 0 280.376 -0.637 20 0 CBADRP Cn1cnnc1C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176070954 820438201 /nfs/dbraw/zinc/43/82/01/820438201.db2.gz AJPMSEQGXGLIHL-LLVKDONJSA-N 2 0 280.376 -0.637 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC2CC2)C1 ZINC001176071445 820438714 /nfs/dbraw/zinc/43/87/14/820438714.db2.gz DGLGVJDWACACPR-NSHDSACASA-N 2 0 282.388 -0.687 20 0 CBADRP CCn1ncnc1C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176071590 820438987 /nfs/dbraw/zinc/43/89/87/820438987.db2.gz GGCCHBOZFXTKGJ-LBPRGKRZSA-N 2 0 294.403 -0.154 20 0 CBADRP CCn1ncc(C[NH2+]CCCNC(=O)C[NH+]2CCCC2)n1 ZINC001176103251 820441128 /nfs/dbraw/zinc/44/11/28/820441128.db2.gz UVMKXZCCIIYVQK-UHFFFAOYSA-N 2 0 294.403 -0.010 20 0 CBADRP O=C(C[NH+]1CCCC1)NCCC[NH2+]CCN1CCNC1=O ZINC001176110593 820441629 /nfs/dbraw/zinc/44/16/29/820441629.db2.gz ZCICXEZVGBODDV-UHFFFAOYSA-N 2 0 297.403 -0.797 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001176972214 820484942 /nfs/dbraw/zinc/48/49/42/820484942.db2.gz QYUQUMAYEFZCQZ-UHFFFAOYSA-N 2 0 299.419 -0.552 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001176971799 820485464 /nfs/dbraw/zinc/48/54/64/820485464.db2.gz IKWWIHWMIRYAFE-NSHDSACASA-N 2 0 298.387 -0.772 20 0 CBADRP CN(C)[C@@H](C(=O)NCCC[NH2+]CCO)c1cccnc1 ZINC001177064443 820490659 /nfs/dbraw/zinc/49/06/59/820490659.db2.gz QFZQBDBWPDGRBX-CYBMUJFWSA-N 2 0 280.372 -0.228 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C1(c2cnccn2)CC1 ZINC001178028584 820556260 /nfs/dbraw/zinc/55/62/60/820556260.db2.gz ZUZVSFLDKNYFGS-UHFFFAOYSA-N 2 0 276.344 -0.031 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]1CCc2nccn2C1 ZINC001178118469 820563716 /nfs/dbraw/zinc/56/37/16/820563716.db2.gz BOQOVIUCJHMBHU-SNVBAGLBSA-N 2 0 278.360 -0.094 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001178356804 820576597 /nfs/dbraw/zinc/57/65/97/820576597.db2.gz RWTZSPDLVOVPJE-AVGNSLFASA-N 2 0 296.415 -0.252 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001178700791 820595360 /nfs/dbraw/zinc/59/53/60/820595360.db2.gz BAWGEWGKCZRCIM-SNVBAGLBSA-N 2 0 288.352 -0.865 20 0 CBADRP CN1CCCC[C@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001178697971 820596370 /nfs/dbraw/zinc/59/63/70/820596370.db2.gz RYNZLRCZBYZWLS-JTQLQIEISA-N 2 0 255.366 -0.068 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178730994 820597755 /nfs/dbraw/zinc/59/77/55/820597755.db2.gz JCILVGYBHKDFQF-XQHKEYJVSA-N 2 0 296.415 -0.348 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CN1CCN(C)CC1 ZINC001178956396 820612309 /nfs/dbraw/zinc/61/23/09/820612309.db2.gz RAGNEWCEBVJBFZ-UHFFFAOYSA-N 2 0 298.435 -0.702 20 0 CBADRP CC(C)(C)[NH2+]CC(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001179008937 820614240 /nfs/dbraw/zinc/61/42/40/820614240.db2.gz VHEGGQNEASDOPF-SNVBAGLBSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C)C(N)=O ZINC001179431235 820627410 /nfs/dbraw/zinc/62/74/10/820627410.db2.gz RLCQIYOOCURQEU-SRVKXCTJSA-N 2 0 296.415 -0.219 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001179861066 820643899 /nfs/dbraw/zinc/64/38/99/820643899.db2.gz JXMIZYFZWNSJBD-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124380 820650431 /nfs/dbraw/zinc/65/04/31/820650431.db2.gz IKASLLFEXDBKJZ-FQUUOJAGSA-N 2 0 299.415 -0.476 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180131992 820652070 /nfs/dbraw/zinc/65/20/70/820652070.db2.gz QSSDGMPOXPTIND-IHRRRGAJSA-N 2 0 299.415 -0.332 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180131758 820652082 /nfs/dbraw/zinc/65/20/82/820652082.db2.gz KNFZEQSTCQIIHP-AGIUHOORSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[NH+](CC)CC(=O)NC1(CO)CC[NH+](C)CC1 ZINC001180391061 820677395 /nfs/dbraw/zinc/67/73/95/820677395.db2.gz IAGIOFDJTXROHS-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP NC(=O)C1CC[NH+](CCC(=O)N2CC[N@@H+]3CC[C@H]3C2)CC1 ZINC001180611324 820699645 /nfs/dbraw/zinc/69/96/45/820699645.db2.gz ZUKVXEXOPZALLB-ZDUSSCGKSA-N 2 0 294.399 -0.510 20 0 CBADRP C[NH+](C)C1(C)CN(C(=O)CC[NH+]2CCC(C(N)=O)CC2)C1 ZINC001180609981 820699916 /nfs/dbraw/zinc/69/99/16/820699916.db2.gz BLGGFYQRUSHSLU-UHFFFAOYSA-N 2 0 296.415 -0.264 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)Cc1ccnc(N)c1 ZINC001181263758 820769717 /nfs/dbraw/zinc/76/97/17/820769717.db2.gz DLYMHFFWFDSOCK-UHFFFAOYSA-N 2 0 264.333 -0.333 20 0 CBADRP C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001182015653 820847858 /nfs/dbraw/zinc/84/78/58/820847858.db2.gz OZDLLGACJYJXNP-CYBMUJFWSA-N 2 0 281.400 -0.099 20 0 CBADRP N=c1cc(C[NH3+])ncn1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182017585 820849988 /nfs/dbraw/zinc/84/99/88/820849988.db2.gz MKXXGUANLJDUFS-LLVKDONJSA-N 2 0 261.329 -0.197 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182017544 820851368 /nfs/dbraw/zinc/85/13/68/820851368.db2.gz PTUJLBDPKQWIQX-LBPRGKRZSA-N 2 0 283.372 -0.321 20 0 CBADRP C[N@H+]1C[C@H]2CN(C(=O)C3(O)CC[NH+](C)CC3)C[C@H]2C1 ZINC001182031489 820852077 /nfs/dbraw/zinc/85/20/77/820852077.db2.gz AYXHSSNKAVULGC-TXEJJXNPSA-N 2 0 267.373 -0.537 20 0 CBADRP C[NH+]1CCC(O)(C(=O)N(c2ncccn2)C2C[NH2+]C2)CC1 ZINC001182033443 820855490 /nfs/dbraw/zinc/85/54/90/820855490.db2.gz LIHUSKHEEWEYMV-UHFFFAOYSA-N 2 0 291.355 -0.762 20 0 CBADRP C[NH+](C)C[C@H]1COCCN1C(=O)C1(O)CC[NH+](C)CC1 ZINC001182035144 820857403 /nfs/dbraw/zinc/85/74/03/820857403.db2.gz ZTULENFCNOMZNM-LBPRGKRZSA-N 2 0 285.388 -0.768 20 0 CBADRP C[C@@H]([NH2+]C[C@]1(C)CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001182479422 820923452 /nfs/dbraw/zinc/92/34/52/820923452.db2.gz BMMNRPPNOKOCFY-LALPHHSUSA-N 2 0 298.431 -0.114 20 0 CBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C2([NH+](C)C)CC2)O1 ZINC001182602656 820929491 /nfs/dbraw/zinc/92/94/91/820929491.db2.gz HCINGXANQHHSDG-IJLUTSLNSA-N 2 0 285.388 -0.078 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001183039900 820968217 /nfs/dbraw/zinc/96/82/17/820968217.db2.gz KRZFDEMKPBFKSV-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001183079477 820972603 /nfs/dbraw/zinc/97/26/03/820972603.db2.gz KDELREKPBHCDSM-VIFPVBQESA-N 2 0 284.364 -0.926 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183266875 820985883 /nfs/dbraw/zinc/98/58/83/820985883.db2.gz HERHTHYQKUCKDF-RDBSUJKOSA-N 2 0 299.415 -0.476 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183267287 820986341 /nfs/dbraw/zinc/98/63/41/820986341.db2.gz MAAPQEAEMPFYMV-TZMCWYRMSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001183289427 820989357 /nfs/dbraw/zinc/98/93/57/820989357.db2.gz XMSAVXPEGUIDQQ-NWDGAFQWSA-N 2 0 296.415 -0.204 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001183289450 820989474 /nfs/dbraw/zinc/98/94/74/820989474.db2.gz YLGSPMZEYRGSCE-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001183392483 820993264 /nfs/dbraw/zinc/99/32/64/820993264.db2.gz WWGUQLRRFULWFO-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@]1(O)C=C[C@H](O)C(C(=O)N(CCCC[NH3+])C(N)=[NH2+])=C1 ZINC001183552821 821005557 /nfs/dbraw/zinc/00/55/57/821005557.db2.gz ULYBXAJOIATGOZ-GXFFZTMASA-N 2 0 282.344 -0.945 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1)[NH+](C)C ZINC001183582095 821007263 /nfs/dbraw/zinc/00/72/63/821007263.db2.gz SFQZECSTQFGHAV-CHWSQXEVSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001183759160 821032501 /nfs/dbraw/zinc/03/25/01/821032501.db2.gz FAQZEQCIIWWZTF-GFCCVEGCSA-N 2 0 298.431 -0.005 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H](O)Cc1ccc(O)cc1 ZINC001183902426 821039188 /nfs/dbraw/zinc/03/91/88/821039188.db2.gz KBXGMOCVEBHFIC-LBPRGKRZSA-N 2 0 294.355 -0.243 20 0 CBADRP CCCC[C@H](NC=O)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001184589456 821081073 /nfs/dbraw/zinc/08/10/73/821081073.db2.gz MGDNUPWMMDLTOC-JTQLQIEISA-N 2 0 271.365 -0.248 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185230022 821103598 /nfs/dbraw/zinc/10/35/98/821103598.db2.gz JSDAPXXMWLMDGP-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC[NH+]2CC[C@H]2C1 ZINC001185256251 821111593 /nfs/dbraw/zinc/11/15/93/821111593.db2.gz CWCIMXAYAVGDJV-NWDGAFQWSA-N 2 0 252.362 -0.851 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[NH+]2CC[C@@H]2C1 ZINC001185256241 821113008 /nfs/dbraw/zinc/11/30/08/821113008.db2.gz CWCIMXAYAVGDJV-NEPJUHHUSA-N 2 0 252.362 -0.851 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(=O)N(C)C ZINC001185264117 821117147 /nfs/dbraw/zinc/11/71/47/821117147.db2.gz AMJDGYPJUBNQEB-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1C(=O)Nc1cccnc1C[NH3+] ZINC001185267052 821119568 /nfs/dbraw/zinc/11/95/68/821119568.db2.gz LPALYAOKAKMNRK-LBPRGKRZSA-N 2 0 263.345 -0.275 20 0 CBADRP C[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)CC1 ZINC001185385545 821126443 /nfs/dbraw/zinc/12/64/43/821126443.db2.gz RCXKAZGKOMBCBP-CQSZACIVSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001185401885 821127907 /nfs/dbraw/zinc/12/79/07/821127907.db2.gz XXICFTHBMTVJGK-WCQYABFASA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185407835 821128612 /nfs/dbraw/zinc/12/86/12/821128612.db2.gz FIPNLHUPYKBUAW-GFCCVEGCSA-N 2 0 284.404 -0.347 20 0 CBADRP CN1CCC[C@H]([NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001185408664 821129044 /nfs/dbraw/zinc/12/90/44/821129044.db2.gz VJCMKASXWQNWPJ-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001185416459 821129523 /nfs/dbraw/zinc/12/95/23/821129523.db2.gz WCXYZCJORXMZSQ-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185455335 821129852 /nfs/dbraw/zinc/12/98/52/821129852.db2.gz NOONMRGJOBOFRY-JHJVBQTASA-N 2 0 298.431 -0.102 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001185546816 821134844 /nfs/dbraw/zinc/13/48/44/821134844.db2.gz DNJHDUSQFYOHRA-CHWSQXEVSA-N 2 0 298.431 -0.112 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1)[NH+](C)C ZINC001185716249 821140291 /nfs/dbraw/zinc/14/02/91/821140291.db2.gz SFQZECSTQFGHAV-OLZOCXBDSA-N 2 0 296.415 -0.204 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186036656 821153661 /nfs/dbraw/zinc/15/36/61/821153661.db2.gz BPXFGCRKDFHQHH-CYBMUJFWSA-N 2 0 269.389 -0.147 20 0 CBADRP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186056065 821164569 /nfs/dbraw/zinc/16/45/69/821164569.db2.gz BONVZBGOEZHZCE-LSDHHAIUSA-N 2 0 289.379 -0.035 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1CCC[N@H+](C)C1 ZINC001186364616 821180614 /nfs/dbraw/zinc/18/06/14/821180614.db2.gz SJLHVWYRMZXBDA-NSHDSACASA-N 2 0 271.361 -0.321 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001186451552 821181930 /nfs/dbraw/zinc/18/19/30/821181930.db2.gz HIHNBCWBAOXXRV-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C[NH+](CC)CC)C1)C(N)=O ZINC001186496315 821184340 /nfs/dbraw/zinc/18/43/40/821184340.db2.gz DHEGJEKOBYENDC-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001186824672 821198249 /nfs/dbraw/zinc/19/82/49/821198249.db2.gz FIRNRASTXXJQSQ-GFCCVEGCSA-N 2 0 294.403 -0.153 20 0 CBADRP CCOCC[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187107175 821212767 /nfs/dbraw/zinc/21/27/67/821212767.db2.gz WPHGFXADICHXHR-CYBMUJFWSA-N 2 0 287.404 -0.208 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187106506 821213134 /nfs/dbraw/zinc/21/31/34/821213134.db2.gz IRVDIJAPPVEBTI-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187122694 821213644 /nfs/dbraw/zinc/21/36/44/821213644.db2.gz ZANFFHVWCGZEGR-GFCCVEGCSA-N 2 0 294.399 -0.591 20 0 CBADRP O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N(CCO)CC[NH2+]CCO ZINC001279737199 828336835 /nfs/dbraw/zinc/33/68/35/828336835.db2.gz IPQZDWJEVFNUSE-KGLIPLIRSA-N 2 0 299.415 -0.594 20 0 CBADRP COCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001280628749 828367215 /nfs/dbraw/zinc/36/72/15/828367215.db2.gz LPHNZGDECMVDRQ-AWEZNQCLSA-N 2 0 299.415 -0.208 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H](C[NH2+]CCCO)C1 ZINC001280651632 828369636 /nfs/dbraw/zinc/36/96/36/828369636.db2.gz KURWJQXTVUYFNU-ZDUSSCGKSA-N 2 0 287.404 -0.472 20 0 CBADRP COCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001280665364 828370771 /nfs/dbraw/zinc/37/07/71/828370771.db2.gz AYEFVDXSEPCZBH-CYBMUJFWSA-N 2 0 285.388 -0.454 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC[C@](CO)([NH2+]CCCO)C1 ZINC001281191417 828406461 /nfs/dbraw/zinc/40/64/61/828406461.db2.gz GWVHCSXSDQNWNT-HNNXBMFYSA-N 2 0 299.415 -0.592 20 0 CBADRP O=C(C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)NC1CC1 ZINC001187835340 822297158 /nfs/dbraw/zinc/29/71/58/822297158.db2.gz SZXAKZRHAUACGG-CYBMUJFWSA-N 2 0 294.399 -0.449 20 0 CBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187826354 822297536 /nfs/dbraw/zinc/29/75/36/822297536.db2.gz XZMPPCAULNNGMO-XQQFMLRXSA-N 2 0 285.388 -0.864 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187834804 822298444 /nfs/dbraw/zinc/29/84/44/822298444.db2.gz IKEZVRCDMOZVFA-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001187825674 822298588 /nfs/dbraw/zinc/29/85/88/822298588.db2.gz QCVMAJZHGJLEEB-WCQYABFASA-N 2 0 294.399 -0.593 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC2(C[NH2+]CCO)CCOCC2)C1 ZINC001281280444 828412353 /nfs/dbraw/zinc/41/23/53/828412353.db2.gz QLPLAOPYZYGPBG-CYBMUJFWSA-N 2 0 299.415 -0.425 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001188139077 822321607 /nfs/dbraw/zinc/32/16/07/822321607.db2.gz HTHWHHLAVATRFF-GFCCVEGCSA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001281603409 828420980 /nfs/dbraw/zinc/42/09/80/828420980.db2.gz MOQNRAXLDSIAHU-GFCCVEGCSA-N 2 0 285.388 -0.984 20 0 CBADRP C[C@@H](O)C[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001282478403 828449374 /nfs/dbraw/zinc/44/93/74/828449374.db2.gz QJQFBYRZFBUCGE-NWDGAFQWSA-N 2 0 269.389 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CCO)C1 ZINC001283100992 828496920 /nfs/dbraw/zinc/49/69/20/828496920.db2.gz BHWYNTSYDPXWQC-HAQNSBGRSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCO)C1)[NH+](C)C ZINC001283079249 828494619 /nfs/dbraw/zinc/49/46/19/828494619.db2.gz GMMLPCACOMGZHU-SRVKXCTJSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@@H](CCC[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001283279712 828511951 /nfs/dbraw/zinc/51/19/51/828511951.db2.gz YPIQBCUBAOKXCT-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001283797376 828549313 /nfs/dbraw/zinc/54/93/13/828549313.db2.gz MYMJQUSCCSLFSP-SDDRHHMPSA-N 2 0 257.378 -0.197 20 0 CBADRP COCC[NH2+][C@H](CO)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001283806037 828551433 /nfs/dbraw/zinc/55/14/33/828551433.db2.gz URYGDPYTCAWIPK-RYUDHWBXSA-N 2 0 273.377 -0.959 20 0 CBADRP C[NH+]1CCC(CC(=O)NC[C@H](CO)[NH2+]CCCO)CC1 ZINC001283813433 828551754 /nfs/dbraw/zinc/55/17/54/828551754.db2.gz ORTBTFNKNCBHON-CYBMUJFWSA-N 2 0 287.404 -0.833 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001189040917 823730555 /nfs/dbraw/zinc/73/05/55/823730555.db2.gz JQRXAVACAJCXRL-RWMBFGLXSA-N 2 0 294.399 -0.641 20 0 CBADRP C[N@H+](CCCO)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189401323 823753128 /nfs/dbraw/zinc/75/31/28/823753128.db2.gz VBRQEJXOXRVJBA-OLZOCXBDSA-N 2 0 269.389 -0.004 20 0 CBADRP C[N@H+](CCOCCO)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189391363 823753910 /nfs/dbraw/zinc/75/39/10/823753910.db2.gz XOTVGIIKIWTSFU-ZIAGYGMSSA-N 2 0 299.415 -0.378 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189810779 823775556 /nfs/dbraw/zinc/77/55/56/823775556.db2.gz HATJJVJTCIKGMU-HZSPNIEDSA-N 2 0 299.415 -0.522 20 0 CBADRP CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001190898535 823858420 /nfs/dbraw/zinc/85/84/20/823858420.db2.gz DCORJQVEYPZWPP-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H](N(C)CC(=O)NC)C1)[NH+](C)C ZINC001190891158 823859081 /nfs/dbraw/zinc/85/90/81/823859081.db2.gz YQVFVGMBGIQCQI-VXGBXAGGSA-N 2 0 284.404 -0.395 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ncc[nH]c1=O ZINC001191520052 823902239 /nfs/dbraw/zinc/90/22/39/823902239.db2.gz YCPHWJFRSTUFQW-UHFFFAOYSA-N 2 0 280.332 -0.553 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152373 823952932 /nfs/dbraw/zinc/95/29/32/823952932.db2.gz GMRXVDNKFMFMNP-QWRGUYRKSA-N 2 0 270.377 -0.655 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192171838 823954855 /nfs/dbraw/zinc/95/48/55/823954855.db2.gz WUGFAMBAKZNGCA-RYUDHWBXSA-N 2 0 284.404 -0.265 20 0 CBADRP C[C@H](C(=O)N(C)C)[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170780 823955273 /nfs/dbraw/zinc/95/52/73/823955273.db2.gz QPUGSAXSNYMRRV-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CCn2cncn2)C1 ZINC001192171107 823955785 /nfs/dbraw/zinc/95/57/85/823955785.db2.gz UDNPKOJVTNRPQJ-ZDUSSCGKSA-N 2 0 294.403 -0.238 20 0 CBADRP CN(C[C@@H](O)C[NH2+]CCF)C(=O)C1([NH+](C)C)CCC1 ZINC001284417934 828592815 /nfs/dbraw/zinc/59/28/15/828592815.db2.gz ZJFSAYKXKBWZLA-NSHDSACASA-N 2 0 275.368 -0.151 20 0 CBADRP CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001284418562 828593036 /nfs/dbraw/zinc/59/30/36/828593036.db2.gz UVTJXSIYXQMQOQ-STQMWFEESA-N 2 0 269.389 -0.243 20 0 CBADRP Cc1cnncc1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001192945134 823992694 /nfs/dbraw/zinc/99/26/94/823992694.db2.gz ATDWPZLJTRQWOZ-UHFFFAOYSA-N 2 0 250.306 -0.140 20 0 CBADRP CN(C[C@H](O)C[NH2+]CC1CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001284468887 828599616 /nfs/dbraw/zinc/59/96/16/828599616.db2.gz OZOOZMNIDHNNTP-CHWSQXEVSA-N 2 0 269.389 -0.243 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@@H](C)C(N)=O)C1 ZINC001193278129 824018703 /nfs/dbraw/zinc/01/87/03/824018703.db2.gz FAOYQVWFWVTTOS-RYUDHWBXSA-N 2 0 284.404 -0.265 20 0 CBADRP CNC(=O)CN(C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193468457 824029973 /nfs/dbraw/zinc/02/99/73/824029973.db2.gz DHGVQMVKDHGKKM-LBPRGKRZSA-N 2 0 294.399 -0.639 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193766175 824045426 /nfs/dbraw/zinc/04/54/26/824045426.db2.gz PASIFUMQWNYQAZ-QJPTWQEYSA-N 2 0 285.388 -0.987 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774659 824045712 /nfs/dbraw/zinc/04/57/12/824045712.db2.gz SQPBDPNFNOXWMB-GHMZBOCLSA-N 2 0 255.362 -0.348 20 0 CBADRP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193780576 824045792 /nfs/dbraw/zinc/04/57/92/824045792.db2.gz CUFBYIXWIREKCS-JHJVBQTASA-N 2 0 285.388 -0.866 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O)C1CC1 ZINC001193781752 824045854 /nfs/dbraw/zinc/04/58/54/824045854.db2.gz OODROBASSLDQDX-JHJVBQTASA-N 2 0 287.379 -0.153 20 0 CBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001193892221 824049182 /nfs/dbraw/zinc/04/91/82/824049182.db2.gz GMIMMBZAPDTLGO-YNEHKIRRSA-N 2 0 285.388 -0.986 20 0 CBADRP C[N@H+](CCCO)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194011068 824055925 /nfs/dbraw/zinc/05/59/25/824055925.db2.gz OAZSRXFEJOOZMW-CHWSQXEVSA-N 2 0 269.389 -0.147 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@H](C)C(N)=O)C1 ZINC001194285964 824067940 /nfs/dbraw/zinc/06/79/40/824067940.db2.gz VWJOVTITGVHHON-NEPJUHHUSA-N 2 0 284.404 -0.267 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@@H](C)C(N)=O)C1 ZINC001194285966 824067982 /nfs/dbraw/zinc/06/79/82/824067982.db2.gz VWJOVTITGVHHON-RYUDHWBXSA-N 2 0 284.404 -0.267 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677200 824127779 /nfs/dbraw/zinc/12/77/79/824127779.db2.gz OOLVCEMZICJIFV-GHMZBOCLSA-N 2 0 255.362 -0.491 20 0 CBADRP COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195676624 824127716 /nfs/dbraw/zinc/12/77/16/824127716.db2.gz GPINUXPNSQYCMZ-YNEHKIRRSA-N 2 0 299.415 -0.476 20 0 CBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859366 824134200 /nfs/dbraw/zinc/13/42/00/824134200.db2.gz ICMZYMMGZHTMCO-VXGBXAGGSA-N 2 0 273.377 -0.864 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001195859741 824134665 /nfs/dbraw/zinc/13/46/65/824134665.db2.gz OAMRAVORMHWTLI-BFHYXJOUSA-N 2 0 299.415 -0.474 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001195860023 824135085 /nfs/dbraw/zinc/13/50/85/824135085.db2.gz SBJVWQCHIQPGCN-MGPQQGTHSA-N 2 0 299.415 -0.332 20 0 CBADRP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871576 824135530 /nfs/dbraw/zinc/13/55/30/824135530.db2.gz PZMBTXXIBBRVKH-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1O)[NH+](C)C ZINC001196252187 824154764 /nfs/dbraw/zinc/15/47/64/824154764.db2.gz UZTQWZIBURHFBF-GRYCIOLGSA-N 2 0 273.377 -0.866 20 0 CBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196307595 824155999 /nfs/dbraw/zinc/15/59/99/824155999.db2.gz PWGXXKPXOOEKMR-MGPQQGTHSA-N 2 0 299.415 -0.332 20 0 CBADRP C[C@H](C(N)=O)N1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196942424 824173346 /nfs/dbraw/zinc/17/33/46/824173346.db2.gz BKHJVUAZSTWAJT-GFCCVEGCSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCCN([C@H]2CCNC2=O)CC1 ZINC001197491540 824193178 /nfs/dbraw/zinc/19/31/78/824193178.db2.gz FIISBUAUEMQOLR-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCOC)C[C@H]1O ZINC001197493437 824194638 /nfs/dbraw/zinc/19/46/38/824194638.db2.gz NDXFQVOBDWWFDX-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001197926309 824209924 /nfs/dbraw/zinc/20/99/24/824209924.db2.gz KRXAWHIFRNZMBB-CHWSQXEVSA-N 2 0 287.404 -0.738 20 0 CBADRP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198698581 824235538 /nfs/dbraw/zinc/23/55/38/824235538.db2.gz BPYKMTKMPTWJPK-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198663193 824236097 /nfs/dbraw/zinc/23/60/97/824236097.db2.gz ZHKPMVDEESNCCV-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001199023739 824246628 /nfs/dbraw/zinc/24/66/28/824246628.db2.gz OFZKIKCPENLCAW-ZIAGYGMSSA-N 2 0 299.415 -0.594 20 0 CBADRP COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199095932 824247438 /nfs/dbraw/zinc/24/74/38/824247438.db2.gz MNHNLLYXFCWOJS-YNEHKIRRSA-N 2 0 287.404 -0.477 20 0 CBADRP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071191 824248249 /nfs/dbraw/zinc/24/82/49/824248249.db2.gz NJOMCXARGOMNGG-MGPQQGTHSA-N 2 0 299.415 -0.596 20 0 CBADRP CCOc1ncc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cn1 ZINC001199229608 824255312 /nfs/dbraw/zinc/25/53/12/824255312.db2.gz MAYVPAIGWWNTQA-UHFFFAOYSA-N 2 0 280.332 -0.050 20 0 CBADRP COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001199787736 824287486 /nfs/dbraw/zinc/28/74/86/824287486.db2.gz DAGJCOSOJGTXRQ-KBPBESRZSA-N 2 0 299.415 -0.332 20 0 CBADRP CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001199787527 824287966 /nfs/dbraw/zinc/28/79/66/824287966.db2.gz ARUMDCXQACXJCS-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cnn2ccncc12 ZINC001199818389 824289656 /nfs/dbraw/zinc/28/96/56/824289656.db2.gz QSQBUGLFZUFXMK-UHFFFAOYSA-N 2 0 275.316 -0.196 20 0 CBADRP CN1CCO[C@H](C(=O)N2CCC([NH2+]CCCO)CC2)C1 ZINC001199944141 824296669 /nfs/dbraw/zinc/29/66/69/824296669.db2.gz WGZAOWYZTWGKFY-ZDUSSCGKSA-N 2 0 285.388 -0.720 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC001199943565 824297440 /nfs/dbraw/zinc/29/74/40/824297440.db2.gz MIQGLRPTBRZMBG-CYBMUJFWSA-N 2 0 285.388 -0.456 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001200122883 824307405 /nfs/dbraw/zinc/30/74/05/824307405.db2.gz JLBQULVTTKIIPD-CHWSQXEVSA-N 2 0 285.388 -0.720 20 0 CBADRP C[N@H+](CC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1)C1CCC1 ZINC001200704631 824324241 /nfs/dbraw/zinc/32/42/41/824324241.db2.gz ODOIXDOAFDWHHO-AWEZNQCLSA-N 2 0 299.415 -0.330 20 0 CBADRP CNC(=O)C[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001201149710 824327671 /nfs/dbraw/zinc/32/76/71/824327671.db2.gz HVERRWFZRJABPH-AWEZNQCLSA-N 2 0 298.431 -0.101 20 0 CBADRP CCNC(=O)CN1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001284961017 828636929 /nfs/dbraw/zinc/63/69/29/828636929.db2.gz YSGPPNWPANCODQ-UHFFFAOYSA-N 2 0 296.415 -0.178 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCO)C2)C1 ZINC001202056667 824340936 /nfs/dbraw/zinc/34/09/36/824340936.db2.gz ARWRACBIIMJUOE-QWHCGFSZSA-N 2 0 285.388 -0.863 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202060189 824341167 /nfs/dbraw/zinc/34/11/67/824341167.db2.gz UMRUEFCXFRQXSS-KGLIPLIRSA-N 2 0 299.415 -0.330 20 0 CBADRP COCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202058973 824341189 /nfs/dbraw/zinc/34/11/89/824341189.db2.gz MPSUFCPFQIHWAZ-AWEZNQCLSA-N 2 0 299.415 -0.064 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001202057146 824341617 /nfs/dbraw/zinc/34/16/17/824341617.db2.gz CSKKRSHXQDHLCU-CQSZACIVSA-N 2 0 299.415 -0.328 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCC([NH2+]CCO)CC2)CC1 ZINC001202224899 824342691 /nfs/dbraw/zinc/34/26/91/824342691.db2.gz LKUUVEIAHCHANY-UHFFFAOYSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC([NH2+]CCOCCO)CC1 ZINC001202316265 824346686 /nfs/dbraw/zinc/34/66/86/824346686.db2.gz TUTDGVGQHFKVBK-UHFFFAOYSA-N 2 0 287.404 -0.472 20 0 CBADRP C[NH+]1CCN(C2CN(C[C@@H]3CCC(=O)N3)C2)CC1 ZINC001202902432 824355294 /nfs/dbraw/zinc/35/52/94/824355294.db2.gz JLRXNNLDPHHALA-NSHDSACASA-N 2 0 252.362 -0.803 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC001203010572 824357501 /nfs/dbraw/zinc/35/75/01/824357501.db2.gz SSZJGERKMHLFHD-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC001203431381 824362187 /nfs/dbraw/zinc/36/21/87/824362187.db2.gz FAMQMVPQNLAHIL-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC001203442995 824362251 /nfs/dbraw/zinc/36/22/51/824362251.db2.gz OYLCHPWYBVJKFA-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP NC(=O)C[NH2+]C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001203869815 824363676 /nfs/dbraw/zinc/36/36/76/824363676.db2.gz QCEWDJFSEYNPNC-UHFFFAOYSA-N 2 0 296.415 -0.072 20 0 CBADRP C[C@H]1C[N@H+](C[C@@H]2OC(C)(C)O[C@@H]2[C@H](O)CO)C[C@H]1C[NH3+] ZINC001205130475 824374981 /nfs/dbraw/zinc/37/49/81/824374981.db2.gz FIURMPMWGXLUPE-CKIKVBCHSA-N 2 0 288.388 -0.614 20 0 CBADRP COC(=O)c1cnc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)cn1 ZINC001205231582 824376257 /nfs/dbraw/zinc/37/62/57/824376257.db2.gz ZZSKEBRYQBFQTD-AWEZNQCLSA-N 2 0 294.355 -0.061 20 0 CBADRP Cn1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(=O)n(C)c1=O ZINC001205280627 824376402 /nfs/dbraw/zinc/37/64/02/824376402.db2.gz DSNPKFNJJQCVRM-AWEZNQCLSA-N 2 0 280.372 -0.213 20 0 CBADRP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205221403 824376796 /nfs/dbraw/zinc/37/67/96/824376796.db2.gz ULHNZLQLAPFAIU-CYBMUJFWSA-N 2 0 282.344 -0.128 20 0 CBADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cn3c(n2)CNCC3)CC1 ZINC001205219199 824376955 /nfs/dbraw/zinc/37/69/55/824376955.db2.gz AEPRYGGSAAKPTQ-AWEZNQCLSA-N 2 0 279.388 -0.338 20 0 CBADRP [NH3+][C@@H]1CN(Cc2cccc(CN3CC[NH2+]CC3)c2)C[C@H]1O ZINC001205353146 824377344 /nfs/dbraw/zinc/37/73/44/824377344.db2.gz VLILVSKKFHCPAE-HZPDHXFCSA-N 2 0 290.411 -0.404 20 0 CBADRP CC(=O)N1CCC(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001205946018 824390235 /nfs/dbraw/zinc/39/02/35/824390235.db2.gz HHMDKMXUSCNDER-CHWSQXEVSA-N 2 0 255.362 -0.361 20 0 CBADRP [NH3+][C@@H]1CCN(Cc2ccc3n2CC[NH2+]C3)C[C@H]1O ZINC001205953440 824390421 /nfs/dbraw/zinc/39/04/21/824390421.db2.gz ZKADFWICFKFLCZ-CHWSQXEVSA-N 2 0 250.346 -0.515 20 0 CBADRP C[C@@H]1CNCC(F)(F)[C@@H]1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946052 824390443 /nfs/dbraw/zinc/39/04/43/824390443.db2.gz HUFOBWRHLKVROA-GWOFURMSSA-N 2 0 263.332 -0.129 20 0 CBADRP C[C@@H]1CNCC(F)(F)[C@H]1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946054 824390607 /nfs/dbraw/zinc/39/06/07/824390607.db2.gz HUFOBWRHLKVROA-LMLFDSFASA-N 2 0 263.332 -0.129 20 0 CBADRP CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)C1 ZINC001205946776 824390801 /nfs/dbraw/zinc/39/08/01/824390801.db2.gz QIMRFHJIWNLJDY-JHJVBQTASA-N 2 0 255.362 -0.361 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206275219 824396787 /nfs/dbraw/zinc/39/67/87/824396787.db2.gz PZPLGVRGQVQGAZ-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP [NH3+][C@H]1C[C@@H](F)CN(Cc2cnc3n2CC[NH2+]CC3)C1 ZINC001206414716 824400157 /nfs/dbraw/zinc/40/01/57/824400157.db2.gz PFDUDKSUZSQDTO-MNOVXSKESA-N 2 0 267.352 -0.100 20 0 CBADRP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2N2CC[NH2+]CC2)C[C@H]1O ZINC001206468982 824401035 /nfs/dbraw/zinc/40/10/35/824401035.db2.gz MWHATNKCYRYUCZ-GOEBONIOSA-N 3 0 290.411 -0.152 20 0 CBADRP C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001206929216 824412761 /nfs/dbraw/zinc/41/27/61/824412761.db2.gz ZOHFIRSQJIVRAT-YPMHNXCESA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207551175 824430467 /nfs/dbraw/zinc/43/04/67/824430467.db2.gz WUWCMBUFHYRHGT-RAIGVLPGSA-N 2 0 269.389 -0.245 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001207684712 824434052 /nfs/dbraw/zinc/43/40/52/824434052.db2.gz SBBUTQCQXPDVPF-KGLIPLIRSA-N 2 0 299.415 -0.330 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207684266 824434182 /nfs/dbraw/zinc/43/41/82/824434182.db2.gz LYZANHRNYADXIW-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001208307003 824450233 /nfs/dbraw/zinc/45/02/33/824450233.db2.gz SLXVBEBYAVCAGZ-XJFOESAGSA-N 2 0 299.415 -0.476 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001208335675 824450536 /nfs/dbraw/zinc/45/05/36/824450536.db2.gz XYNLMJOXNMYGPB-TZMCWYRMSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492861 824454392 /nfs/dbraw/zinc/45/43/92/824454392.db2.gz ROCBVYKRSWFBNV-CHWSQXEVSA-N 2 0 287.404 -0.617 20 0 CBADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208495914 824454493 /nfs/dbraw/zinc/45/44/93/824454493.db2.gz CJMYLCIEUSCNKO-UPJWGTAASA-N 2 0 296.415 -0.395 20 0 CBADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001209315544 824469068 /nfs/dbraw/zinc/46/90/68/824469068.db2.gz QVHLOFJEBRLFKD-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209454976 824471871 /nfs/dbraw/zinc/47/18/71/824471871.db2.gz QFKIXURGVGENEV-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209447089 824471893 /nfs/dbraw/zinc/47/18/93/824471893.db2.gz WXHRHERUQDKPFK-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001209455553 824472165 /nfs/dbraw/zinc/47/21/65/824472165.db2.gz UULIHYFCSDQYFI-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]CCn2cncn2)C1 ZINC001209453825 824472284 /nfs/dbraw/zinc/47/22/84/824472284.db2.gz DOZIVWCDMOUZES-ZDUSSCGKSA-N 2 0 294.403 -0.190 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001209445385 824472288 /nfs/dbraw/zinc/47/22/88/824472288.db2.gz MKEPUZUFFXBDPM-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001209454621 824472326 /nfs/dbraw/zinc/47/23/26/824472326.db2.gz MTHAKRXBTGPQRE-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+]1CCN(C2CN(Cc3c[nH+]ccc3N)C2)CC1 ZINC001209731960 824475010 /nfs/dbraw/zinc/47/50/10/824475010.db2.gz FVBPUSRYYLFYHB-UHFFFAOYSA-N 2 0 261.373 -0.074 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210685370 824480823 /nfs/dbraw/zinc/48/08/23/824480823.db2.gz UPYMVIARHXIJOA-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210674444 824480826 /nfs/dbraw/zinc/48/08/26/824480826.db2.gz WHFJKNUTPNAJEN-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346696 824511021 /nfs/dbraw/zinc/51/10/21/824511021.db2.gz YUYUIZZEPXONPN-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342088 824511080 /nfs/dbraw/zinc/51/10/80/824511080.db2.gz GPBZALLOKXKPBA-JHJVBQTASA-N 2 0 299.415 -0.476 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1OC ZINC001213671923 824514360 /nfs/dbraw/zinc/51/43/60/824514360.db2.gz WHMZJNJAQRDYET-VXGBXAGGSA-N 2 0 273.377 -0.864 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1OC ZINC001213765125 824516404 /nfs/dbraw/zinc/51/64/04/824516404.db2.gz VIZAKGXKAYFNHV-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCCO ZINC001214336047 824528323 /nfs/dbraw/zinc/52/83/23/824528323.db2.gz SAOSPVXZXVDGIB-JHJVBQTASA-N 2 0 269.389 -0.101 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215463219 824541544 /nfs/dbraw/zinc/54/15/44/824541544.db2.gz MYVXUMYEYMUHBL-GRYCIOLGSA-N 2 0 284.404 -0.491 20 0 CBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001215461150 824542209 /nfs/dbraw/zinc/54/22/09/824542209.db2.gz UFPJHRXVBGYQBH-GRYCIOLGSA-N 2 0 282.388 -0.737 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215461193 824542455 /nfs/dbraw/zinc/54/24/55/824542455.db2.gz VPCGYPDILFASII-JHJVBQTASA-N 2 0 287.404 -0.618 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001216750146 824549676 /nfs/dbraw/zinc/54/96/76/824549676.db2.gz RCHWBOWGAVNSKR-JHJVBQTASA-N 2 0 296.415 -0.537 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001216851642 824550840 /nfs/dbraw/zinc/55/08/40/824550840.db2.gz DKRZZWINOWWERK-GRYCIOLGSA-N 2 0 284.404 -0.363 20 0 CBADRP C1[NH2+]CC12C[NH2+]C[C@H]2c1nnc([C@H]2CCOC2)o1 ZINC001217705034 824558101 /nfs/dbraw/zinc/55/81/01/824558101.db2.gz YHRWGPLZIUHCIT-IUCAKERBSA-N 2 0 250.302 -0.150 20 0 CBADRP C(O[C@@H]1C[NH2+]CCOC1)[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217785407 824560575 /nfs/dbraw/zinc/56/05/75/824560575.db2.gz KWYUPARNDRHAJA-LPWJVIDDSA-N 2 0 256.346 -0.242 20 0 CBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1OC1C[NH2+]C1 ZINC001218050458 824563792 /nfs/dbraw/zinc/56/37/92/824563792.db2.gz SYZWEOOSUJJBTP-UHFFFAOYSA-N 2 0 296.327 -0.889 20 0 CBADRP Cn1cnc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c2ncnc1-2 ZINC001218495965 824569280 /nfs/dbraw/zinc/56/92/80/824569280.db2.gz QXPYWUVQCVAIHF-MRVPVSSYSA-N 2 0 287.327 -0.938 20 0 CBADRP Cn1cnc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c2ncnc1-2 ZINC001218494467 824569421 /nfs/dbraw/zinc/56/94/21/824569421.db2.gz HYSZJKPZESPCJF-SECBINFHSA-N 2 0 289.343 -0.420 20 0 CBADRP O=C(Nc1noc2cccnc21)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218503101 824572691 /nfs/dbraw/zinc/57/26/91/824572691.db2.gz LLBAZIWDADSWFT-QMMMGPOBSA-N 2 0 273.296 -0.030 20 0 CBADRP COc1nn(C)cc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218505139 824573789 /nfs/dbraw/zinc/57/37/89/824573789.db2.gz NQENSFIQYBFQHN-NOZJJQNGSA-N 2 0 279.344 -0.434 20 0 CBADRP O=C(Nc1n[nH]c(C(F)(F)F)n1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218511297 824577096 /nfs/dbraw/zinc/57/70/96/824577096.db2.gz OPBUYAFDGROWQB-YFKPBYRVSA-N 2 0 290.249 -0.429 20 0 CBADRP C[NH+]1CCN(c2ccc(NC(=O)C[C@@H](O)C[NH3+])nc2)CC1 ZINC001218516193 824578390 /nfs/dbraw/zinc/57/83/90/824578390.db2.gz UWCSDIVJEQJTSA-GFCCVEGCSA-N 2 0 293.371 -0.518 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N=c1ncnc2[nH][nH]cc1-2 ZINC001218518474 824580961 /nfs/dbraw/zinc/58/09/61/824580961.db2.gz QTUHNNJPLHWNGN-VIFPVBQESA-N 2 0 277.332 -0.618 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1n[nH]c(-c2ccncc2)n1 ZINC001218523719 824581983 /nfs/dbraw/zinc/58/19/83/824581983.db2.gz SBIIQXLAGNOQCW-VIFPVBQESA-N 2 0 275.316 -0.129 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1[nH]nc2cccnc21 ZINC001218524749 824582714 /nfs/dbraw/zinc/58/27/14/824582714.db2.gz ZQDBKHCNJHZJMN-ZETCQYMHSA-N 2 0 280.357 -0.084 20 0 CBADRP N[C@@H](C[NH3+])C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218532813 824585589 /nfs/dbraw/zinc/58/55/89/824585589.db2.gz KBCXAPZPPWBBKY-WDSKDSINSA-N 2 0 255.347 -0.816 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218534861 824585736 /nfs/dbraw/zinc/58/57/36/824585736.db2.gz YRBPKOZPTSTPKV-RNFRBKRXSA-N 2 0 270.358 -0.393 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218532372 824586086 /nfs/dbraw/zinc/58/60/86/824586086.db2.gz FXOWYYJEOGTYBF-YUMQZZPRSA-N 3 0 283.401 -0.036 20 0 CBADRP N=c1scc(N)n1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218541494 824587056 /nfs/dbraw/zinc/58/70/56/824587056.db2.gz PIPKBNKVQOXTPW-QMMMGPOBSA-N 2 0 284.389 -0.998 20 0 CBADRP Nc1nonc1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218542050 824587304 /nfs/dbraw/zinc/58/73/04/824587304.db2.gz KZGOGDIRHNYZTM-SSDOTTSWSA-N 2 0 266.305 -0.536 20 0 CBADRP COc1cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)ncn1 ZINC001218536560 824587776 /nfs/dbraw/zinc/58/77/76/824587776.db2.gz WJPLVOWGODEOBF-MRVPVSSYSA-N 2 0 263.301 -0.767 20 0 CBADRP CCOC(=O)c1n[nH]cc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218554203 824590173 /nfs/dbraw/zinc/59/01/73/824590173.db2.gz IETABEGOIOSNSA-JTQLQIEISA-N 2 0 295.343 -0.148 20 0 CBADRP CN(C)c1cc[nH+]cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001218563150 824591008 /nfs/dbraw/zinc/59/10/08/824591008.db2.gz LSTQLTGTDCFUGB-KWQFWETISA-N 2 0 250.302 -0.334 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1[nH]nc2nccnc21 ZINC001218568598 824595169 /nfs/dbraw/zinc/59/51/69/824595169.db2.gz QDSAOZDIIDJRNS-ZETCQYMHSA-N 2 0 263.305 -0.301 20 0 CBADRP COc1cc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)no1 ZINC001218574090 824596270 /nfs/dbraw/zinc/59/62/70/824596270.db2.gz QECQWHGMQHLEEF-SECBINFHSA-N 2 0 283.332 -0.628 20 0 CBADRP COC(=O)c1cncc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001218580795 824598689 /nfs/dbraw/zinc/59/86/89/824598689.db2.gz XCNMGHBTECIIPR-MRVPVSSYSA-N 2 0 291.311 -0.989 20 0 CBADRP COc1ncc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])cn1 ZINC001218593353 824600569 /nfs/dbraw/zinc/60/05/69/824600569.db2.gz JANFIMKQDBTHRF-VIFPVBQESA-N 2 0 253.306 -0.120 20 0 CBADRP N=c1ccc(F)c(N)n1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218605936 824602298 /nfs/dbraw/zinc/60/22/98/824602298.db2.gz IMVUCFLTDZFKMC-SNVBAGLBSA-N 2 0 296.350 -0.921 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cnn(CC(=O)OC)c1 ZINC001218611083 824603628 /nfs/dbraw/zinc/60/36/28/824603628.db2.gz VEKAEUHHFLEWRC-NSHDSACASA-N 2 0 297.359 -0.288 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1nccnc1C(N)=O ZINC001218617806 824604568 /nfs/dbraw/zinc/60/45/68/824604568.db2.gz LECCHJQQBRCQHZ-QMMMGPOBSA-N 2 0 280.332 -0.769 20 0 CBADRP N=c1c(N)cnc(Cl)n1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218621613 824605565 /nfs/dbraw/zinc/60/55/65/824605565.db2.gz KRNHXABCRCNXCI-ZCFIWIBFSA-N 2 0 282.735 -0.953 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1cn[nH]c(=O)c1Cl ZINC001218634620 824610280 /nfs/dbraw/zinc/61/02/80/824610280.db2.gz XWGLXMWMEQAXIP-RXMQYKEDSA-N 2 0 259.697 -0.160 20 0 CBADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001218641545 824612316 /nfs/dbraw/zinc/61/23/16/824612316.db2.gz TUKIEUVZUFCESX-MNOVXSKESA-N 2 0 267.308 -0.087 20 0 CBADRP [NH3+][C@@H](C(=O)Nc1cnn(C2C[NH2+]C2)c1)C1CC[NH2+]CC1 ZINC001218640575 824612673 /nfs/dbraw/zinc/61/26/73/824612673.db2.gz KARDXJOPIAQFCT-GFCCVEGCSA-N 3 0 278.360 -0.707 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640530 824612913 /nfs/dbraw/zinc/61/29/13/824612913.db2.gz JAYCEECNSFYZHY-OVWNDWIMSA-N 2 0 285.373 -0.938 20 0 CBADRP COC(=O)c1n[nH]c(C)c1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218639587 824613126 /nfs/dbraw/zinc/61/31/26/824613126.db2.gz ICLDYWPVQPMHAQ-VIFPVBQESA-N 2 0 295.343 -0.230 20 0 CBADRP Nc1ncc(Cl)nc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218651670 824614987 /nfs/dbraw/zinc/61/49/87/824614987.db2.gz CJANZXZAILWBTE-LURJTMIESA-N 2 0 282.735 -0.540 20 0 CBADRP COc1ncnc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c1OC ZINC001218653463 824616990 /nfs/dbraw/zinc/61/69/90/824616990.db2.gz SNYFOGVIZNLXQC-VIFPVBQESA-N 2 0 295.343 -0.241 20 0 CBADRP CCOc1cc(N)n(C(=O)C[C@@H]([NH3+])CCCC[NH3+])c(=N)n1 ZINC001218681761 824621937 /nfs/dbraw/zinc/62/19/37/824621937.db2.gz ZICGTBADYBNYJK-VIFPVBQESA-N 2 0 296.375 -0.170 20 0 CBADRP Cc1cc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc(=O)o1 ZINC001218683206 824622683 /nfs/dbraw/zinc/62/26/83/824622683.db2.gz VVOIBQXYOFABBA-LBPRGKRZSA-N 2 0 294.355 -0.363 20 0 CBADRP Cc1c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)ncn1C ZINC001218691630 824622777 /nfs/dbraw/zinc/62/27/77/824622777.db2.gz MNZMDHQQFLOIAA-NSHDSACASA-N 2 0 280.376 -0.583 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)n1ccc(=[NH2+])c(N)c1 ZINC001218694135 824622791 /nfs/dbraw/zinc/62/27/91/824622791.db2.gz SADCUVYVSUYEKX-UFBFGSQYSA-N 2 0 279.344 -0.320 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1oncc1C(N)=O ZINC001218702553 824624695 /nfs/dbraw/zinc/62/46/95/824624695.db2.gz TUCMFIIPUFUAJU-VIFPVBQESA-N 2 0 283.332 -0.229 20 0 CBADRP [NH3+]Cc1cncc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c1 ZINC001218705525 824625750 /nfs/dbraw/zinc/62/57/50/824625750.db2.gz SLXMLODYFFJUQM-LBPRGKRZSA-N 3 0 263.345 -0.194 20 0 CBADRP [NH3+]Cc1cncc(NC(=O)CN2CCCC[C@H]([NH3+])C2=O)c1 ZINC001218704946 824626508 /nfs/dbraw/zinc/62/65/08/824626508.db2.gz FYFLQQFECRHEHU-LBPRGKRZSA-N 2 0 291.355 -0.181 20 0 CBADRP O=C(Nc1cc([C@@H]2CCC[NH2+]2)no1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001218713118 824627449 /nfs/dbraw/zinc/62/74/49/824627449.db2.gz QRHLHDVPGWIVKV-ISTVAULSSA-N 2 0 291.355 -0.011 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218727472 824628633 /nfs/dbraw/zinc/62/86/33/824628633.db2.gz YYKQIZOIINASAN-GHMZBOCLSA-N 2 0 280.328 -0.530 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218725611 824629555 /nfs/dbraw/zinc/62/95/55/824629555.db2.gz ZHWLGTGXYGVSHQ-LBPRGKRZSA-N 2 0 293.371 -0.343 20 0 CBADRP CN=c1c(N)cc(Cl)nn1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218743695 824631583 /nfs/dbraw/zinc/63/15/83/824631583.db2.gz WUJAKNWAQNTWHS-LURJTMIESA-N 2 0 272.740 -0.644 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cn(CCF)cn1 ZINC001218742824 824631923 /nfs/dbraw/zinc/63/19/23/824631923.db2.gz CXBVSNLOINVQOS-LLVKDONJSA-N 2 0 298.366 -0.459 20 0 CBADRP CCN=c1ccc(N)cn1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218741821 824631968 /nfs/dbraw/zinc/63/19/68/824631968.db2.gz RDVUZOCAKRTRCX-LLVKDONJSA-N 2 0 275.356 -0.560 20 0 CBADRP CCOC(=O)c1ncc(NC(=O)[C@H]([NH3+])CCC[NH3+])cn1 ZINC001218756690 824634700 /nfs/dbraw/zinc/63/47/00/824634700.db2.gz FOAPNLLVEIPKHG-SECBINFHSA-N 2 0 281.316 -0.342 20 0 CBADRP Cc1cnn(CCO)c1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218753517 824634804 /nfs/dbraw/zinc/63/48/04/824634804.db2.gz GYMAWJHQQLXJLW-VIFPVBQESA-N 2 0 255.322 -0.811 20 0 CBADRP O=C(Nc1cnc2nccn2c1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218784489 824637526 /nfs/dbraw/zinc/63/75/26/824637526.db2.gz LEXYLAQZCQTGAY-JTQLQIEISA-N 2 0 272.312 -0.523 20 0 CBADRP [NH3+][C@@H](C(=O)Nc1ncccc1CCO)C1CC[NH2+]CC1 ZINC001218791714 824638600 /nfs/dbraw/zinc/63/86/00/824638600.db2.gz CFNAAKWVVKEDTC-GFCCVEGCSA-N 2 0 278.356 -0.118 20 0 CBADRP O=C(Nc1ccc2n[nH]nc2c1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218878119 824644318 /nfs/dbraw/zinc/64/43/18/824644318.db2.gz ZTRAPQWZTUFXIK-SECBINFHSA-N 2 0 272.312 -0.295 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001218939011 824648757 /nfs/dbraw/zinc/64/87/57/824648757.db2.gz ZQEHGBYONJRDLW-KBPBESRZSA-N 2 0 274.368 -0.140 20 0 CBADRP CC[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970900 824651303 /nfs/dbraw/zinc/65/13/03/824651303.db2.gz NSDISDABDLEKOP-QWHCGFSZSA-N 2 0 285.388 -0.504 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001219025565 824653169 /nfs/dbraw/zinc/65/31/69/824653169.db2.gz MEYNAXBHQBDRLW-LLVKDONJSA-N 2 0 265.313 -0.183 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(CO)cc1 ZINC001219054264 824653818 /nfs/dbraw/zinc/65/38/18/824653818.db2.gz DVDZSXLXZNVODY-CQSZACIVSA-N 2 0 292.383 -0.132 20 0 CBADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219028240 824654587 /nfs/dbraw/zinc/65/45/87/824654587.db2.gz WIBKVVLGTYEGCG-RYUDHWBXSA-N 2 0 277.324 -0.170 20 0 CBADRP O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@H]1[NH2+]CC[C@H]1O ZINC001219117914 824664498 /nfs/dbraw/zinc/66/44/98/824664498.db2.gz HILUWPJVYUVGMQ-KGLIPLIRSA-N 2 0 290.367 -0.243 20 0 CBADRP [NH3+]Cc1ccc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001219349561 824695157 /nfs/dbraw/zinc/69/51/57/824695157.db2.gz OTTOGRDWFMOVLQ-AWEZNQCLSA-N 3 0 291.399 -0.166 20 0 CBADRP [NH3+]Cc1ccc(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)cc1 ZINC001219345637 824695340 /nfs/dbraw/zinc/69/53/40/824695340.db2.gz YLFHMVFCPPVNAU-GFCCVEGCSA-N 2 0 276.340 -0.586 20 0 CBADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219349622 824696126 /nfs/dbraw/zinc/69/61/26/824696126.db2.gz RETXCWFKXRAGPQ-IUCAKERBSA-N 2 0 264.329 -0.064 20 0 CBADRP O=C(Nc1ccc2[nH]c(=O)cnc2c1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219437952 824710587 /nfs/dbraw/zinc/71/05/87/824710587.db2.gz GASCBEYHAVYKMC-JTQLQIEISA-N 2 0 299.334 -0.329 20 0 CBADRP NC(=O)c1cc(O)cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001219441630 824710675 /nfs/dbraw/zinc/71/06/75/824710675.db2.gz LPKGTDPHZIQVPB-LLVKDONJSA-N 2 0 290.323 -0.761 20 0 CBADRP [NH3+][C@H]1CN[C@H](C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@H]2O3)C1 ZINC001219537885 824723410 /nfs/dbraw/zinc/72/34/10/824723410.db2.gz RBJMCKZSSKHMRQ-UPBCOZELSA-N 2 0 288.351 -0.238 20 0 CBADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+] ZINC001219553890 824726669 /nfs/dbraw/zinc/72/66/69/824726669.db2.gz PRUANEVUJGLDGQ-ZDUSSCGKSA-N 2 0 292.383 -0.650 20 0 CBADRP C[NH+](C)CCNC(=O)c1ccc([C@H](N)C[NH3+])cc1 ZINC001219553775 824727166 /nfs/dbraw/zinc/72/71/66/824727166.db2.gz LKAHQSWUXVWKKL-GFCCVEGCSA-N 2 0 250.346 -0.064 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219555806 824728403 /nfs/dbraw/zinc/72/84/03/824728403.db2.gz SRDFXWOJXMCVCG-LLVKDONJSA-N 3 0 254.378 -0.747 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001219555769 824728731 /nfs/dbraw/zinc/72/87/31/824728731.db2.gz RLPYLHDXHMZLBO-GFCCVEGCSA-N 3 0 256.394 -0.229 20 0 CBADRP CC[NH+](CC)CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219555773 824729136 /nfs/dbraw/zinc/72/91/36/824729136.db2.gz RPGCJFZTIXYUFH-WCQYABFASA-N 2 0 254.378 -0.604 20 0 CBADRP Cc1cccnc1CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219563613 824731707 /nfs/dbraw/zinc/73/17/07/824731707.db2.gz DDFLSJJMNPNOKB-CYBMUJFWSA-N 2 0 291.399 -0.243 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCN1CCCCC1=O ZINC001219568007 824732010 /nfs/dbraw/zinc/73/20/10/824732010.db2.gz VARUFHCTRKTFDS-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP Cn1ccnc1CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001219565748 824732786 /nfs/dbraw/zinc/73/27/86/824732786.db2.gz NQEGFPOYHOJAML-NSHDSACASA-N 2 0 251.334 -0.637 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1nccn1C ZINC001219564174 824732899 /nfs/dbraw/zinc/73/28/99/824732899.db2.gz UPLXIBIMJNRALP-JTQLQIEISA-N 2 0 253.350 -0.247 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)C[NH2+]1 ZINC001219582672 824735919 /nfs/dbraw/zinc/73/59/19/824735919.db2.gz IIHGVSYYMPIIBR-SDDRHHMPSA-N 2 0 294.399 -0.641 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC001219586831 824736379 /nfs/dbraw/zinc/73/63/79/824736379.db2.gz GIYPJMDQYOWOKZ-DCAQKATOSA-N 2 0 268.361 -0.889 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219589503 824737699 /nfs/dbraw/zinc/73/76/99/824737699.db2.gz SSMVIPSRXMHESX-NNYUYHANSA-N 2 0 283.372 -0.358 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C2CCOCC2)C[NH2+]1 ZINC001219586966 824738184 /nfs/dbraw/zinc/73/81/84/824738184.db2.gz LTCBXOAEFYGTHP-DLOVCJGASA-N 2 0 255.362 -0.003 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001219593750 824739559 /nfs/dbraw/zinc/73/95/59/824739559.db2.gz HIBHUZNSGMWALP-BDAKNGLRSA-N 2 0 263.363 -0.879 20 0 CBADRP Cc1ccnc(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001219600305 824741021 /nfs/dbraw/zinc/74/10/21/824741021.db2.gz OUZZJTYWTASNNH-LBPRGKRZSA-N 2 0 292.387 -0.848 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H](O)c1ccco1 ZINC001219604747 824849486 /nfs/dbraw/zinc/84/94/86/824849486.db2.gz YIYMCIJXTGDUCW-VXGBXAGGSA-N 2 0 296.371 -0.820 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219609910 824854301 /nfs/dbraw/zinc/85/43/01/824854301.db2.gz HWDBEKQCTMKFIL-SNVBAGLBSA-N 2 0 280.294 -0.698 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617672 824855779 /nfs/dbraw/zinc/85/57/79/824855779.db2.gz ODDBFQPLWABBPY-SRRSOLGSSA-N 2 0 273.352 -0.447 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219617392 824856094 /nfs/dbraw/zinc/85/60/94/824856094.db2.gz MGDOKNXUDGYISM-HNCHTBHHSA-N 2 0 273.352 -0.447 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1C[NH2+]CCC1(F)F ZINC001219619998 824858352 /nfs/dbraw/zinc/85/83/52/824858352.db2.gz TWSZWOHGRTYNTH-WCABBAIRSA-N 2 0 295.305 -0.590 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@]12CC[C@@H]1C[NH2+]C2 ZINC001219617731 824858886 /nfs/dbraw/zinc/85/88/86/824858886.db2.gz OQTSYRIHUJAQJZ-LYIQGSDWSA-N 2 0 271.336 -0.835 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219618099 824859075 /nfs/dbraw/zinc/85/90/75/824859075.db2.gz UMUHAYQBYOROJE-GMXVVIOVSA-N 2 0 273.352 -0.351 20 0 CBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1CC2(CC2)C[NH2+]1 ZINC001219619188 824859648 /nfs/dbraw/zinc/85/96/48/824859648.db2.gz AXKFCTTXUUOACH-OUJBWJOFSA-N 2 0 271.336 -0.693 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C[C@@H]1F)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219619259 824859811 /nfs/dbraw/zinc/85/98/11/824859811.db2.gz DUBVVDWCKPPGQW-MRBYEJRBSA-N 2 0 291.342 -0.497 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)[NH+](C)C ZINC001219619930 824859910 /nfs/dbraw/zinc/85/99/10/824859910.db2.gz RKGPBEMAKHVQQA-DMDPSCGWSA-N 2 0 275.368 -0.249 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219620300 824861409 /nfs/dbraw/zinc/86/14/09/824861409.db2.gz ZJPJPZXUBGGSGY-SGMGOOAPSA-N 2 0 287.379 -0.105 20 0 CBADRP C[C@@]1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC[NH2+]C1 ZINC001219621526 824861867 /nfs/dbraw/zinc/86/18/67/824861867.db2.gz AUAFASNOZDPZNH-MVWJERBFSA-N 2 0 259.325 -0.835 20 0 CBADRP [NH3+][C@@H](C(=O)NCCN1CCCCO1)C1CC[NH2+]CC1 ZINC001219632967 824865856 /nfs/dbraw/zinc/86/58/56/824865856.db2.gz VGHYPIBUZSDAFJ-GFCCVEGCSA-N 2 0 270.377 -0.543 20 0 CBADRP Cn1cnc(CCNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c1 ZINC001219634263 824867285 /nfs/dbraw/zinc/86/72/85/824867285.db2.gz QVAASLVQSJPMFK-LBPRGKRZSA-N 2 0 265.361 -0.594 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635738 824867646 /nfs/dbraw/zinc/86/76/46/824867646.db2.gz POGLZDMDGUPORR-IUCAKERBSA-N 2 0 259.329 -0.544 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635545 824868575 /nfs/dbraw/zinc/86/85/75/824868575.db2.gz LHXIMJSMIKPYAA-SRVKXCTJSA-N 3 0 274.384 -0.138 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219636204 824868689 /nfs/dbraw/zinc/86/86/89/824868689.db2.gz XBHFILMTVFOPJM-ONGXEEELSA-N 2 0 258.341 -0.856 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)C2=NO[C@@]3(CC[NH2+]C3)C2)C1 ZINC001219641697 824869319 /nfs/dbraw/zinc/86/93/19/824869319.db2.gz KOCBTQRALCAWJF-WDMOLILDSA-N 2 0 280.372 -0.143 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001219641873 824869364 /nfs/dbraw/zinc/86/93/64/824869364.db2.gz MHGKWTSAOFDAGQ-SFTQSGBHSA-N 2 0 266.389 -0.700 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@]2(C)CC[NH2+]C[C@@H]2O)C1 ZINC001219642258 824869512 /nfs/dbraw/zinc/86/95/12/824869512.db2.gz QSJWZEPDKOQFQB-OPDFLTKYSA-N 2 0 269.389 -0.291 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)CC[NH+]2CCN(C)CC2)C1 ZINC001219641604 824869569 /nfs/dbraw/zinc/86/95/69/824869569.db2.gz JIIRFYUZFORWTB-KGLIPLIRSA-N 2 0 282.432 -0.014 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219642351 824869608 /nfs/dbraw/zinc/86/96/08/824869608.db2.gz SBJCISYFJGVYCR-VWYCJHECSA-N 2 0 271.361 -0.371 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[NH2+]CC[C@H]2O)C1 ZINC001219642320 824870437 /nfs/dbraw/zinc/87/04/37/824870437.db2.gz RPJPDCXRPCWLSM-IRCOFANPSA-N 2 0 255.362 -0.681 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])CO2)C1 ZINC001219645953 824871292 /nfs/dbraw/zinc/87/12/92/824871292.db2.gz OCCVNUZCAFOVQX-YFKTTZPYSA-N 2 0 255.362 -0.146 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)C2(O)CC[NH2+]CC2)C1 ZINC001219642741 824871531 /nfs/dbraw/zinc/87/15/31/824871531.db2.gz XFSZQIKCTGILIB-MNOVXSKESA-N 2 0 255.362 -0.537 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)C1 ZINC001219642836 824871713 /nfs/dbraw/zinc/87/17/13/824871713.db2.gz YGEZIRSDDKBFBQ-JZRPKSSGSA-N 2 0 267.373 -0.275 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)COCCOCC[NH3+])C1 ZINC001219644424 824872006 /nfs/dbraw/zinc/87/20/06/824872006.db2.gz AWITUULHEBDWCI-RYUDHWBXSA-N 2 0 273.377 -0.660 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC001219644775 824872099 /nfs/dbraw/zinc/87/20/99/824872099.db2.gz FXQMOKFKIHBENN-NWDGAFQWSA-N 2 0 254.378 -0.747 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])CC[S@](C)=O)C1 ZINC001219649347 824872545 /nfs/dbraw/zinc/87/25/45/824872545.db2.gz IEIWMDZWGSPLGL-XJNHDZKPSA-N 2 0 275.418 -0.556 20 0 CBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC001219651413 824873178 /nfs/dbraw/zinc/87/31/78/824873178.db2.gz VLHOULDEMXUUMY-GRYCIOLGSA-N 2 0 255.362 -0.273 20 0 CBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001219650547 824873429 /nfs/dbraw/zinc/87/34/29/824873429.db2.gz PFYMUAQPXGCUPW-UTUOFQBUSA-N 2 0 282.388 -0.702 20 0 CBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219651626 824875287 /nfs/dbraw/zinc/87/52/87/824875287.db2.gz WXKWJBOSHXBLAY-XQQFMLRXSA-N 2 0 298.431 -0.162 20 0 CBADRP COC(=O)c1csc(CNC(=O)[C@H]([NH3+])CCC[NH3+])n1 ZINC001219665914 824876840 /nfs/dbraw/zinc/87/68/40/824876840.db2.gz AQOIPVBAYJWRGE-SSDOTTSWSA-N 2 0 286.357 -0.388 20 0 CBADRP C[C@@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C[NH2+]1 ZINC001219684552 824878288 /nfs/dbraw/zinc/87/82/88/824878288.db2.gz PRNOKOZNRPRSQE-NAWOPXAZSA-N 2 0 267.373 -0.132 20 0 CBADRP C[C@@H]1C[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C[NH2+]1 ZINC001219684757 824878781 /nfs/dbraw/zinc/87/87/81/824878781.db2.gz RKYMSQNZYQESMI-HKUMRIAESA-N 3 0 266.389 -0.700 20 0 CBADRP C[C@@H]1C[C@@H](CNC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C[NH2+]1 ZINC001219685247 824878977 /nfs/dbraw/zinc/87/89/77/824878977.db2.gz XWLDWYWGWJINRO-PRULPYPASA-N 2 0 252.362 -0.948 20 0 CBADRP CN(C(=O)CCNC(=O)[C@@H]([NH3+])CCCC[NH3+])C1CC1 ZINC001219692705 824879821 /nfs/dbraw/zinc/87/98/21/824879821.db2.gz FONQOQWAGXWLLC-NSHDSACASA-N 2 0 270.377 -0.430 20 0 CBADRP CC(C)[C@@]1(C(=O)NCCC2(O)C[NH2+]C2)CCC[NH2+]C1 ZINC001219696186 824880912 /nfs/dbraw/zinc/88/09/12/824880912.db2.gz BXZZHTKJCLFMPS-CQSZACIVSA-N 2 0 269.389 -0.147 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCCC1(O)C[NH2+]C1 ZINC001219697340 824881275 /nfs/dbraw/zinc/88/12/75/824881275.db2.gz SUDVSWRRZOLMBA-LBPRGKRZSA-N 3 0 286.420 -0.677 20 0 CBADRP O=C(NCCC1(O)C[NH2+]C1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC001219697017 824881883 /nfs/dbraw/zinc/88/18/83/824881883.db2.gz OURAJUJLSIKGAX-CYBMUJFWSA-N 2 0 275.352 -0.459 20 0 CBADRP O=C(NCCC1(O)C[NH2+]C1)[C@H]1[NH2+]CCC[C@H]1C(F)(F)F ZINC001219696235 824882412 /nfs/dbraw/zinc/88/24/12/824882412.db2.gz DJHJMOAXZLJXOO-BDAKNGLRSA-N 2 0 295.305 -0.243 20 0 CBADRP Nc1nc(=O)[nH]cc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001219701578 824882885 /nfs/dbraw/zinc/88/28/85/824882885.db2.gz OFYFPIMDZLCEKU-QMMMGPOBSA-N 2 0 266.305 -0.970 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)NCc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001219705884 824882903 /nfs/dbraw/zinc/88/29/03/824882903.db2.gz SBJTZBJMARONSA-KBPBESRZSA-N 2 0 274.368 -0.362 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@H]1CC[C@H](C(F)(F)F)C[NH2+]1 ZINC001219712766 824884495 /nfs/dbraw/zinc/88/44/95/824884495.db2.gz VZPKTLBGCAHZBV-JQCXWYLXSA-N 2 0 281.278 -0.634 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1C[C@@H](c2ccccc2)CC[NH2+]1 ZINC001219714177 824885107 /nfs/dbraw/zinc/88/51/07/824885107.db2.gz GWEFTPVMPRPOCS-BYNSBNAKSA-N 2 0 289.379 -0.029 20 0 CBADRP COc1cccc(C[C@H]([NH3+])C(=O)N[C@@H]2COC[C@@H]2[NH3+])c1 ZINC001219720175 824886162 /nfs/dbraw/zinc/88/61/62/824886162.db2.gz HPBNQORMJYFUSU-RWMBFGLXSA-N 2 0 279.340 -0.593 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC001219737057 824888418 /nfs/dbraw/zinc/88/84/18/824888418.db2.gz NQONUQHYVWRKDK-UTUOFQBUSA-N 2 0 267.373 -0.131 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219739175 824888274 /nfs/dbraw/zinc/88/82/74/824888274.db2.gz ILOYWMAXRRLENF-QWRGUYRKSA-N 2 0 285.388 -0.377 20 0 CBADRP Nc1nc(=O)c(F)cn1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219741208 824888304 /nfs/dbraw/zinc/88/83/04/824888304.db2.gz CURHHBNMEGQSSY-JMCQJSRRSA-N 2 0 281.291 -0.953 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741495 824888423 /nfs/dbraw/zinc/88/84/23/824888423.db2.gz MBBJOENPRBWKPQ-NWDGAFQWSA-N 3 0 284.404 -0.530 20 0 CBADRP O=C(CC1CC[NH2+]CC1)NCc1nnc2n1CCC[NH2+]C2 ZINC001219747117 824889857 /nfs/dbraw/zinc/88/98/57/824889857.db2.gz QORCBDVXGNGICW-UHFFFAOYSA-N 2 0 292.387 -0.223 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749648 824890169 /nfs/dbraw/zinc/89/01/69/824890169.db2.gz PKYAHOLRYRXMSL-NXEZZACHSA-N 2 0 278.360 -0.485 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743643 824890260 /nfs/dbraw/zinc/89/02/60/824890260.db2.gz IPZYQVFQRDJOAW-QWRGUYRKSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)C1 ZINC001219764377 824890480 /nfs/dbraw/zinc/89/04/80/824890480.db2.gz DLVQPLQWJUVGEQ-YIYPIFLZSA-N 2 0 280.416 -0.216 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743933 824890617 /nfs/dbraw/zinc/89/06/17/824890617.db2.gz PPQBEXJLBCHRMG-CYBMUJFWSA-N 2 0 296.415 -0.691 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)O2)C1 ZINC001219743961 824890645 /nfs/dbraw/zinc/89/06/45/824890645.db2.gz PZDAPTDMRPUBGE-SRVKXCTJSA-N 2 0 282.388 -0.907 20 0 CBADRP CCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]cn2)[C@@H](O)C1 ZINC001219768836 824891124 /nfs/dbraw/zinc/89/11/24/824891124.db2.gz MZQBUNHRRDRAKO-NEPJUHHUSA-N 2 0 266.345 -0.086 20 0 CBADRP O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219768073 824891479 /nfs/dbraw/zinc/89/14/79/824891479.db2.gz JSJNMSSGPBTYJZ-MRVWCRGKSA-N 3 0 284.379 -0.607 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764887 824892295 /nfs/dbraw/zinc/89/22/95/824892295.db2.gz OGIBCKVBJXQMOO-YVECIDJPSA-N 2 0 266.389 -0.476 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219772814 824892358 /nfs/dbraw/zinc/89/23/58/824892358.db2.gz ASCVBCILQTXNHV-LBPRGKRZSA-N 3 0 278.400 -0.556 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219767645 824892442 /nfs/dbraw/zinc/89/24/42/824892442.db2.gz AYWOOALFFIZLGG-GWCFXTLKSA-N 2 0 286.351 -0.856 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1C[NH2+]C[C@@H]1O ZINC001219777543 824892917 /nfs/dbraw/zinc/89/29/17/824892917.db2.gz LKOSYAZEKGZRGH-QWRGUYRKSA-N 2 0 253.346 -0.785 20 0 CBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1C[NH2+]CC[C@@H]1O ZINC001219773422 824893402 /nfs/dbraw/zinc/89/34/02/824893402.db2.gz RTSVCIZGCXMTON-NEPJUHHUSA-N 2 0 267.373 -0.395 20 0 CBADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219778171 824894458 /nfs/dbraw/zinc/89/44/58/824894458.db2.gz ZRVVNDZSLCIDRM-UWVGGRQHSA-N 2 0 282.388 -0.513 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219801376 824895008 /nfs/dbraw/zinc/89/50/08/824895008.db2.gz YRLFIZRRFRFHIG-OLZOCXBDSA-N 3 0 298.431 -0.412 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800425 824895140 /nfs/dbraw/zinc/89/51/40/824895140.db2.gz JRIHUGLTXPMTIL-VXGBXAGGSA-N 2 0 283.372 -0.750 20 0 CBADRP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805773 824895333 /nfs/dbraw/zinc/89/53/33/824895333.db2.gz RSFQRJLQBSIODB-HZSPNIEDSA-N 2 0 299.415 -0.476 20 0 CBADRP CCOCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798432 824895963 /nfs/dbraw/zinc/89/59/63/824895963.db2.gz MEGWZZNEZKICLH-OLZOCXBDSA-N 2 0 299.415 -0.332 20 0 CBADRP COCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219803675 824896372 /nfs/dbraw/zinc/89/63/72/824896372.db2.gz CUFBYIXWIREKCS-FRRDWIJNSA-N 2 0 285.388 -0.866 20 0 CBADRP [NH3+][C@@H](CC(F)F)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219801425 824896504 /nfs/dbraw/zinc/89/65/04/824896504.db2.gz ZJFZHMKZXZYJNO-IUCAKERBSA-N 2 0 277.315 -0.146 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219816486 824896945 /nfs/dbraw/zinc/89/69/45/824896945.db2.gz MQINPJFZQDBCTJ-SCRDCRAPSA-N 2 0 263.341 -0.085 20 0 CBADRP NC1(C(=O)NCc2noc3c2C[NH2+]CC3)CC[NH2+]CC1 ZINC001219810989 824897308 /nfs/dbraw/zinc/89/73/08/824897308.db2.gz IJPXZFIYISNPCU-UHFFFAOYSA-N 2 0 279.344 -0.983 20 0 CBADRP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219822820 824897534 /nfs/dbraw/zinc/89/75/34/824897534.db2.gz GJYMXUOTCITORH-NNYUYHANSA-N 2 0 292.408 -0.042 20 0 CBADRP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219813919 824897746 /nfs/dbraw/zinc/89/77/46/824897746.db2.gz KUFDQIYKSBFZMS-UHTWSYAYSA-N 2 0 285.388 -0.987 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC001219813634 824898066 /nfs/dbraw/zinc/89/80/66/824898066.db2.gz YAJAHYQZQOANTD-CZXHOFHRSA-N 2 0 267.373 -0.273 20 0 CBADRP [NH3+][C@H]1CC[C@@H]1C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219810801 824898068 /nfs/dbraw/zinc/89/80/68/824898068.db2.gz DFMLPZNVGFMAJR-CBAPKCEASA-N 2 0 250.302 -0.326 20 0 CBADRP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@@H]1C[NH2+]CCN1 ZINC001219818880 824898081 /nfs/dbraw/zinc/89/80/81/824898081.db2.gz ROFXVTKNNZIMSJ-RDBSUJKOSA-N 2 0 274.368 -0.233 20 0 CBADRP O=C(CNC1CC[NH2+]CC1)NCc1noc2c1C[NH2+]CC2 ZINC001219809494 824898168 /nfs/dbraw/zinc/89/81/68/824898168.db2.gz MNYQROFAOGBWIQ-UHFFFAOYSA-N 2 0 293.371 -0.722 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NCc1noc2c1C[NH2+]CC2 ZINC001219810872 824898234 /nfs/dbraw/zinc/89/82/34/824898234.db2.gz FFTZLNCBMUHKNB-VIFPVBQESA-N 2 0 280.328 -0.685 20 0 CBADRP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@H]1[NH2+]CC[C@@H]1O ZINC001219818705 824898324 /nfs/dbraw/zinc/89/83/24/824898324.db2.gz KIGWJRPZBBDCMQ-RFGFWPKPSA-N 2 0 275.352 -0.071 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219818857 824898599 /nfs/dbraw/zinc/89/85/99/824898599.db2.gz QIDUPNJJBMLHFN-FQUUOJAGSA-N 2 0 274.368 -0.248 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001219825252 824899482 /nfs/dbraw/zinc/89/94/82/824899482.db2.gz GELVPLXWFPADOL-GUBZILKMSA-N 2 0 266.370 -0.445 20 0 CBADRP C[C@@]1(C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CC[NH2+]C1 ZINC001219831702 824899865 /nfs/dbraw/zinc/89/98/65/824899865.db2.gz UTZDFWCHRXSFJM-HNCHTBHHSA-N 2 0 253.346 -0.521 20 0 CBADRP O=C(N[C@H]1C[NH2+]Cc2ccsc21)[C@H]1[NH2+]CC[C@@H]1O ZINC001219827046 824900277 /nfs/dbraw/zinc/90/02/77/824900277.db2.gz YIFBIOZJZCNWLP-GUBZILKMSA-N 2 0 267.354 -0.269 20 0 CBADRP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@@H]1C[NH2+]CCN1 ZINC001219825267 824900410 /nfs/dbraw/zinc/90/04/10/824900410.db2.gz GHTZPWFBPPELEO-ZJUUUORDSA-N 2 0 266.370 -0.430 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001219829853 824900487 /nfs/dbraw/zinc/90/04/87/824900487.db2.gz GMIMMBZAPDTLGO-UPJWGTAASA-N 2 0 285.388 -0.986 20 0 CBADRP C[C@]1(C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)CCC[NH2+]1 ZINC001219838498 824901287 /nfs/dbraw/zinc/90/12/87/824901287.db2.gz QXLIABMQFXCTBT-NWANDNLSSA-N 2 0 297.399 -0.360 20 0 CBADRP C[C@]1(C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CCC[NH2+]1 ZINC001219838499 824901655 /nfs/dbraw/zinc/90/16/55/824901655.db2.gz QXLIABMQFXCTBT-YUELXQCFSA-N 2 0 297.399 -0.360 20 0 CBADRP CC(C)C[C@@](C)([NH3+])C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856202 824902521 /nfs/dbraw/zinc/90/25/21/824902521.db2.gz BVJKNJPQLJAHMJ-LSCVPOLPSA-N 2 0 255.362 -0.147 20 0 CBADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1CC[NH2+]C[C@H]1F ZINC001219852763 824902979 /nfs/dbraw/zinc/90/29/79/824902979.db2.gz ZEGVNZLMFBOSHC-OBPIAQAESA-N 2 0 285.363 -0.325 20 0 CBADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)C1CC[NH2+]CC1 ZINC001219851817 824902986 /nfs/dbraw/zinc/90/29/86/824902986.db2.gz GIFOBCZCLNPSFS-RWMBFGLXSA-N 2 0 267.373 -0.273 20 0 CBADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1CC[NH2+]C[C@H]1F ZINC001219852762 824903011 /nfs/dbraw/zinc/90/30/11/824903011.db2.gz ZEGVNZLMFBOSHC-JZRPKSSGSA-N 2 0 285.363 -0.325 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001219853990 824903036 /nfs/dbraw/zinc/90/30/36/824903036.db2.gz AUAPSTOVIQXBDX-PZWNZHSQSA-N 2 0 253.346 -0.523 20 0 CBADRP C[C@@]1(C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)CC[NH2+]C1 ZINC001219849525 824903155 /nfs/dbraw/zinc/90/31/55/824903155.db2.gz CGDVMZYIZRXGNE-MEWQQHAOSA-N 2 0 253.346 -0.378 20 0 CBADRP [NH3+][C@]1(C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CCc2ccccc21 ZINC001219856566 824903341 /nfs/dbraw/zinc/90/33/41/824903341.db2.gz RXJIHAXRYUIGKE-UZMCECQYSA-N 2 0 287.363 -0.110 20 0 CBADRP [NH3+][C@@H](CC1CCC1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856677 824903376 /nfs/dbraw/zinc/90/33/76/824903376.db2.gz WWOJGOKSSQBOMY-NOOOWODRSA-N 2 0 253.346 -0.393 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219851674 824903379 /nfs/dbraw/zinc/90/33/79/824903379.db2.gz AFRCLKSOKJQIQD-ZDEQEGDKSA-N 2 0 283.372 -0.894 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001219853988 824903497 /nfs/dbraw/zinc/90/34/97/824903497.db2.gz AUAPSTOVIQXBDX-LDMBFOFVSA-N 2 0 253.346 -0.523 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1C[NH2+]C[C@]12c1ccccc1NC2=O ZINC001219867263 824903937 /nfs/dbraw/zinc/90/39/37/824903937.db2.gz FZCCNVFYYUQLHW-YGRLFVJLSA-N 2 0 274.324 -0.829 20 0 CBADRP [NH3+]CCNC(=O)[C@@H](c1ccco1)N1CCC([NH3+])CC1 ZINC001219867693 824904840 /nfs/dbraw/zinc/90/48/40/824904840.db2.gz OAMGEZBSHNNTGT-GFCCVEGCSA-N 2 0 266.345 -0.181 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]([NH3+])CCOCc1ccccc1 ZINC001219868800 824906075 /nfs/dbraw/zinc/90/60/75/824906075.db2.gz RWRQNFZJNOCUPP-LBPRGKRZSA-N 2 0 251.330 -0.005 20 0 CBADRP CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001219891856 824912582 /nfs/dbraw/zinc/91/25/82/824912582.db2.gz ZZVMIKGUWZBRPJ-SCRDCRAPSA-N 2 0 280.372 -0.950 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219916506 824913105 /nfs/dbraw/zinc/91/31/05/824913105.db2.gz XUOQMXAIOHRNNN-RYUDHWBXSA-N 3 0 268.405 -0.073 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001219915887 824913151 /nfs/dbraw/zinc/91/31/51/824913151.db2.gz CUUINXUMNHMKPK-ZJUUUORDSA-N 2 0 256.350 -0.998 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001219916173 824913763 /nfs/dbraw/zinc/91/37/63/824913763.db2.gz MQGDSSAGVXKLOI-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP C[NH2+][C@H](C(=O)NCC[NH2+]CCO)[C@@H](C)OC(C)(C)C ZINC001219918257 824915483 /nfs/dbraw/zinc/91/54/83/824915483.db2.gz ITWPTTSVXTULOA-MNOVXSKESA-N 2 0 275.393 -0.524 20 0 CBADRP O=C(NC[C@H]1Cc2ccccc2O1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219924928 824916134 /nfs/dbraw/zinc/91/61/34/824916134.db2.gz CAUJXAGEKNEKRT-OLZOCXBDSA-N 2 0 287.363 -0.085 20 0 CBADRP Nc1ccccc1CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219925482 824916775 /nfs/dbraw/zinc/91/67/75/824916775.db2.gz MDGMYPMLNBDMGR-LLVKDONJSA-N 2 0 260.341 -0.306 20 0 CBADRP O=C(N[C@H]1C=CS(=O)(=O)C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219945251 824920154 /nfs/dbraw/zinc/92/01/54/824920154.db2.gz FQHRFXBLEMRYTN-QWRGUYRKSA-N 2 0 299.396 -0.713 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC001219945274 824921094 /nfs/dbraw/zinc/92/10/94/824921094.db2.gz GLQFELQYZSQHAR-VHSXEESVSA-N 2 0 275.374 -0.740 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CC1 ZINC001219954349 824921621 /nfs/dbraw/zinc/92/16/21/824921621.db2.gz HDPNZKLGBIIGHU-FPMFFAJLSA-N 2 0 280.416 -0.073 20 0 CBADRP O=C(NC[C@H]1CCC(=O)N1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219959143 824921946 /nfs/dbraw/zinc/92/19/46/824921946.db2.gz JYZAHDGHNBJTES-MNOVXSKESA-N 2 0 280.372 -0.745 20 0 CBADRP CCC[NH+]1CCC(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001219954670 824922085 /nfs/dbraw/zinc/92/20/85/824922085.db2.gz MYTWVXZRFOTTBH-CYBMUJFWSA-N 2 0 296.415 -0.693 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NCCC[NH2+]C1CCCCC1 ZINC001219954950 824922803 /nfs/dbraw/zinc/92/28/03/824922803.db2.gz ZHFWTSLAOJKBLY-STQMWFEESA-N 2 0 268.405 -0.038 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC(=O)N1 ZINC001219959534 824922965 /nfs/dbraw/zinc/92/29/65/824922965.db2.gz YHEAPYCJMIIISN-RYUDHWBXSA-N 2 0 284.404 -0.123 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1ccc2nonc2c1 ZINC001219965297 824923888 /nfs/dbraw/zinc/92/38/88/824923888.db2.gz IGOKHNSDEJYWJC-VIFPVBQESA-N 2 0 295.368 -0.142 20 0 CBADRP O=C(NCCn1cccc1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219969818 824925512 /nfs/dbraw/zinc/92/55/12/824925512.db2.gz NPZMPMQQMVGUEA-TZMCWYRMSA-N 2 0 262.357 -0.197 20 0 CBADRP COC(=O)CNC(=O)c1ccc([C@H](N)C[NH3+])cc1 ZINC001219975715 824928016 /nfs/dbraw/zinc/92/80/16/824928016.db2.gz VUGFEIPPDNQJGO-SNVBAGLBSA-N 2 0 251.286 -0.452 20 0 CBADRP COC(=O)CNC(=O)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219974875 824928293 /nfs/dbraw/zinc/92/82/93/824928293.db2.gz HTSBIKMMIIEGBX-WDEREUQCSA-N 2 0 269.345 -0.651 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@]2(N)CCC[NH2+]C2)C1 ZINC001219980994 824929107 /nfs/dbraw/zinc/92/91/07/824929107.db2.gz SYLYNGDJAUJNER-OCCSQVGLSA-N 2 0 268.405 -0.085 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[NH2+]CCN2)C1 ZINC001219980306 824929292 /nfs/dbraw/zinc/92/92/92/824929292.db2.gz GIFGGWNCCRZXNZ-NEPJUHHUSA-N 2 0 254.378 -0.604 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H]2[NH2+]CC[C@@H]2O)C1 ZINC001219980527 824929805 /nfs/dbraw/zinc/92/98/05/824929805.db2.gz KIGXCSDOBNTWLY-SRVKXCTJSA-N 2 0 255.362 -0.443 20 0 CBADRP Cn1c(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c(N=O)c(=O)[nH]c1=O ZINC001219984806 824930481 /nfs/dbraw/zinc/93/04/81/824930481.db2.gz ZXRXLGSOWKWVAU-LURJTMIESA-N 2 0 298.303 -0.721 20 0 CBADRP COC(=O)C1(NC(=O)[C@]2(C)CC[NH2+]C2)CC[NH2+]CC1 ZINC001220001844 824930658 /nfs/dbraw/zinc/93/06/58/824930658.db2.gz YLWGIGNSCLDTOP-GFCCVEGCSA-N 2 0 269.345 -0.603 20 0 CBADRP COC(=O)C1(NC(=O)[C@H]2C[C@H](C)CC[NH2+]2)CC[NH2+]CC1 ZINC001219999244 824931388 /nfs/dbraw/zinc/93/13/88/824931388.db2.gz NYWAWTRWZASEKV-GHMZBOCLSA-N 2 0 283.372 -0.214 20 0 CBADRP COC(=O)C1(NC(=O)[C@@H]2CCC[C@H]2[NH3+])CC[NH2+]CC1 ZINC001220001093 824931466 /nfs/dbraw/zinc/93/14/66/824931466.db2.gz HMLOZXBPHJHQEZ-NXEZZACHSA-N 2 0 269.345 -0.475 20 0 CBADRP CN1C[C@@H](NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCC1=O ZINC001220006848 824932258 /nfs/dbraw/zinc/93/22/58/824932258.db2.gz DMOVGHHAZUNOOI-CMPLNLGQSA-N 2 0 268.361 -0.950 20 0 CBADRP O=C(NCc1cccnn1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220018538 824934291 /nfs/dbraw/zinc/93/42/91/824934291.db2.gz HPOPJAMDZLXMDM-ZWNOBZJWSA-N 2 0 261.329 -0.708 20 0 CBADRP O=C(NCc1cnc2[nH]ccc2c1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220012910 824934313 /nfs/dbraw/zinc/93/43/13/824934313.db2.gz DULSNTRXCDVQIN-GFCCVEGCSA-N 2 0 285.351 -0.012 20 0 CBADRP N=c1cc(C[NH3+])ncn1C(=O)c1ccc([C@@H](N)C[NH3+])cc1 ZINC001220020366 824936326 /nfs/dbraw/zinc/93/63/26/824936326.db2.gz GKJCNBFVOPXEOC-LBPRGKRZSA-N 2 0 286.339 -0.532 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)n1cnc(C[NH3+])cc1=N ZINC001220020750 824936940 /nfs/dbraw/zinc/93/69/40/824936940.db2.gz UOIUYPBJJBFNTC-NSHDSACASA-N 3 0 280.376 -0.479 20 0 CBADRP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)n1cnc(C[NH3+])cc1=N ZINC001220020715 824936996 /nfs/dbraw/zinc/93/69/96/824936996.db2.gz SHYBIVZLVAYJCG-LDYMZIIASA-N 2 0 281.360 -0.008 20 0 CBADRP N=c1sc2c(n1C(=O)CNCC[NH3+])CC[C@H]([NH3+])C2 ZINC001220025584 824937766 /nfs/dbraw/zinc/93/77/66/824937766.db2.gz SEENAIUNNXTUCX-ZETCQYMHSA-N 2 0 269.374 -0.966 20 0 CBADRP N=c1sc2c(n1C(=O)[C@@H]1C[NH2+]C[C@@H]1O)CC[C@H]([NH3+])C2 ZINC001220025048 824938173 /nfs/dbraw/zinc/93/81/73/824938173.db2.gz HYCXWHPMDQSAJA-OOZYFLPDSA-N 2 0 282.369 -0.934 20 0 CBADRP N=c1sc2c(n1C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)CC[C@H]([NH3+])C2 ZINC001220023405 824938229 /nfs/dbraw/zinc/93/82/29/824938229.db2.gz XOVWPGNMUJJFAC-LITAXDCLSA-N 2 0 278.381 -0.049 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001220043357 824941791 /nfs/dbraw/zinc/94/17/91/824941791.db2.gz OPCIFBPHQAESQB-SNVBAGLBSA-N 2 0 275.316 -0.937 20 0 CBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001220043199 824941912 /nfs/dbraw/zinc/94/19/12/824941912.db2.gz IYCRJQOOZPSARQ-ZMLRMANQSA-N 2 0 291.355 -0.463 20 0 CBADRP C[NH2+]CCNC(=O)C1([NH3+])CCC2(CC1)OCCO2 ZINC001220054606 824945343 /nfs/dbraw/zinc/94/53/43/824945343.db2.gz JVAPYTNNRCEEEP-UHFFFAOYSA-N 2 0 257.334 -0.663 20 0 CBADRP C[NH2+]CCNC(=O)[C@@H]([NH3+])CC(=O)OC1CCCCC1 ZINC001220051386 824945497 /nfs/dbraw/zinc/94/54/97/824945497.db2.gz YLVJFTWHQDTPBY-NSHDSACASA-N 2 0 271.361 -0.085 20 0 CBADRP C[NH2+]CCNC(=O)[C@H]([NH3+])Cc1cn(C=O)c2ccccc12 ZINC001220051236 824945592 /nfs/dbraw/zinc/94/55/92/824945592.db2.gz PRLVJPJOUFDRMI-CYBMUJFWSA-N 2 0 288.351 -0.115 20 0 CBADRP COCC1(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCC1 ZINC001220063841 824948659 /nfs/dbraw/zinc/94/86/59/824948659.db2.gz GVYZHPGOGOUHTQ-LBPRGKRZSA-N 2 0 284.404 -0.578 20 0 CBADRP C[NH2+]CCCCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220077664 824951240 /nfs/dbraw/zinc/95/12/40/824951240.db2.gz SAXPCBWXYVGHCK-DGCLKSJQSA-N 3 0 254.378 -0.699 20 0 CBADRP C[NH2+]CCCCNC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220077751 824952118 /nfs/dbraw/zinc/95/21/18/824952118.db2.gz VOWDYRMFOSYEJD-JTQLQIEISA-N 2 0 256.350 -0.948 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccc([C@@H](N)C[NH3+])cc1 ZINC001220103137 824954627 /nfs/dbraw/zinc/95/46/27/824954627.db2.gz HXRSZTRVVKHADG-LBPRGKRZSA-N 3 0 292.387 -0.280 20 0 CBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001220103235 824955075 /nfs/dbraw/zinc/95/50/75/824955075.db2.gz LHGWXHRIEQPAJN-GARJFASQSA-N 3 0 283.376 -0.786 20 0 CBADRP N=C(NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)SCC[NH3+] ZINC001220106247 824955680 /nfs/dbraw/zinc/95/56/80/824955680.db2.gz GKUMZKGILDBLON-SECBINFHSA-N 3 0 285.417 -0.397 20 0 CBADRP NC(=[NH2+])N(C(=O)[C@@H](N)CC[NH3+])c1ccccc1F ZINC001220106733 824957270 /nfs/dbraw/zinc/95/72/70/824957270.db2.gz ZUDIYEVUMMLIRX-QMMMGPOBSA-N 2 0 253.281 -0.272 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@@H](O)c1ccc(O)cc1 ZINC001220113004 824959216 /nfs/dbraw/zinc/95/92/16/824959216.db2.gz HTECABZSKLZLLE-NWDGAFQWSA-N 2 0 267.329 -0.392 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]([NH3+])CCC[NH3+])[C@@H](C)OC1 ZINC001220136838 824962998 /nfs/dbraw/zinc/96/29/98/824962998.db2.gz IUFAITQHPHJRRS-PSASIEDQSA-N 2 0 285.344 -0.595 20 0 CBADRP O=C(NC1(c2ccccn2)CC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220137095 824963092 /nfs/dbraw/zinc/96/30/92/824963092.db2.gz RAOZAJYBPQCMGL-LLVKDONJSA-N 2 0 272.352 -0.004 20 0 CBADRP Cn1cc2cccc(CNC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)c2n1 ZINC001220143415 824967268 /nfs/dbraw/zinc/96/72/68/824967268.db2.gz HEXRDHNIEBOTNJ-CYBMUJFWSA-N 2 0 299.378 -0.002 20 0 CBADRP C[C@@]1(O)C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001220149958 824969533 /nfs/dbraw/zinc/96/95/33/824969533.db2.gz KHDOMHLYPWYUOR-VCDKRKBESA-N 2 0 253.346 -0.785 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1C[C@H](F)C1 ZINC001220148222 824969665 /nfs/dbraw/zinc/96/96/65/824969665.db2.gz QYXLUHPGJGLTPH-CKYFFXLPSA-N 2 0 272.368 -0.399 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220149926 824969967 /nfs/dbraw/zinc/96/99/67/824969967.db2.gz IHHIYHHLKHDPIB-NGZCFLSTSA-N 2 0 251.334 -0.857 20 0 CBADRP [NH3+]CC1(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)C[NH2+]2)COC1 ZINC001220153974 824970514 /nfs/dbraw/zinc/97/05/14/824970514.db2.gz GGXPICPZQAXPBN-YUMQZZPRSA-N 2 0 281.278 -0.239 20 0 CBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220152186 824971327 /nfs/dbraw/zinc/97/13/27/824971327.db2.gz XUAVZYUXZNAOIU-TUAOUCFPSA-N 2 0 270.377 -0.526 20 0 CBADRP O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1C[NH2+]CCN1 ZINC001220163463 824974157 /nfs/dbraw/zinc/97/41/57/824974157.db2.gz RBLQKTAOTWZKRJ-YRGRVCCFSA-N 2 0 266.389 -0.414 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001220160392 824974202 /nfs/dbraw/zinc/97/42/02/824974202.db2.gz YRFQZTGMMSQFBO-NWDGAFQWSA-N 3 0 254.378 -0.476 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220163704 824974217 /nfs/dbraw/zinc/97/42/17/824974217.db2.gz UEFLTJVCXOZKAD-DZGCQCFKSA-N 2 0 280.416 -0.070 20 0 CBADRP [NH3+]CCNCC(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220161632 824974600 /nfs/dbraw/zinc/97/46/00/824974600.db2.gz DOIOXIFQHCAQOI-WCQYABFASA-N 2 0 254.378 -0.427 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220163707 824975609 /nfs/dbraw/zinc/97/56/09/824975609.db2.gz UEFLTJVCXOZKAD-ZFWWWQNUSA-N 2 0 280.416 -0.070 20 0 CBADRP N=C(NC(=O)[C@@H]([NH3+])CCC[NH3+])c1ccc(F)cn1 ZINC001220170614 824975718 /nfs/dbraw/zinc/97/57/18/824975718.db2.gz PXXGZMFJAOWZJQ-QMMMGPOBSA-N 2 0 253.281 -0.272 20 0 CBADRP O=C(N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220163873 824976313 /nfs/dbraw/zinc/97/63/13/824976313.db2.gz WFEABPSNKKYZGA-FMCLSXCISA-N 2 0 267.373 -0.252 20 0 CBADRP N=C(NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1ccc(F)cn1 ZINC001220170773 824976370 /nfs/dbraw/zinc/97/63/70/824976370.db2.gz ULDWSRQIUMAUOE-YMTOWFKASA-N 2 0 291.330 -0.139 20 0 CBADRP CCC1(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)COC1 ZINC001220170397 824976458 /nfs/dbraw/zinc/97/64/58/824976458.db2.gz JOKBSWZKWNWGCX-SNVBAGLBSA-N 2 0 253.346 -0.662 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC(=N)c1ncc[nH]1 ZINC001220181223 824979174 /nfs/dbraw/zinc/97/91/74/824979174.db2.gz FMMQYFPAHAHYAZ-QMMMGPOBSA-N 2 0 252.322 -0.432 20 0 CBADRP [NH3+][C@H](C(=O)NC[C@H]1CCNCC1(F)F)C1CC[NH2+]CC1 ZINC001220187153 824982162 /nfs/dbraw/zinc/98/21/62/824982162.db2.gz ZQMAXRBLGSBCOE-MNOVXSKESA-N 2 0 290.358 -0.326 20 0 CBADRP O=C(NC[C@H]1CCNCC1(F)F)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220185377 824982658 /nfs/dbraw/zinc/98/26/58/824982658.db2.gz GVBYALGYFOAUKR-NXEZZACHSA-N 2 0 288.342 -0.844 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCNCC1(F)F ZINC001220187007 824983643 /nfs/dbraw/zinc/98/36/43/824983643.db2.gz XDEQRGMJMPKXQA-DTWKUNHWSA-N 2 0 264.320 -0.586 20 0 CBADRP O=C(NC[C@H]1C[C@@H](O)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220191807 824984064 /nfs/dbraw/zinc/98/40/64/824984064.db2.gz QIHFNSTWSFLQFW-HNCHTBHHSA-N 2 0 253.346 -0.927 20 0 CBADRP CC1(C)C[C@H](CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)O1 ZINC001220200504 824985532 /nfs/dbraw/zinc/98/55/32/824985532.db2.gz MIRMCMROXSNUTA-VXGBXAGGSA-N 2 0 284.404 -0.580 20 0 CBADRP COCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC001220200605 824985957 /nfs/dbraw/zinc/98/59/57/824985957.db2.gz ORPFEGGKVDVQDA-STQMWFEESA-N 2 0 285.388 -0.674 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC[C@@H]1CNC(=O)C1 ZINC001220203196 824986354 /nfs/dbraw/zinc/98/63/54/824986354.db2.gz YYRALNXXQLNTLL-UWVGGRQHSA-N 2 0 256.350 -0.915 20 0 CBADRP CC(C)(C)[C@H](CO)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220216851 824987462 /nfs/dbraw/zinc/98/74/62/824987462.db2.gz BBKPXXJOYMSMFG-RYUDHWBXSA-N 2 0 286.420 -0.740 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001220221073 824988876 /nfs/dbraw/zinc/98/88/76/824988876.db2.gz POGBDVIOAFHBQU-FIQHERPVSA-N 2 0 255.362 -0.444 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001220220714 824988941 /nfs/dbraw/zinc/98/89/41/824988941.db2.gz BUIAJTUWRWPIPS-YFKTTZPYSA-N 2 0 255.362 -0.302 20 0 CBADRP CC1(C)C[C@@H](NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCO1 ZINC001220221090 824988953 /nfs/dbraw/zinc/98/89/53/824988953.db2.gz PYVWKKJDRGNQFJ-QWHCGFSZSA-N 2 0 298.431 -0.189 20 0 CBADRP CC1(C)C[C@H](NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCO1 ZINC001220221088 824989206 /nfs/dbraw/zinc/98/92/06/824989206.db2.gz PYVWKKJDRGNQFJ-CHWSQXEVSA-N 2 0 298.431 -0.189 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001220220719 824989355 /nfs/dbraw/zinc/98/93/55/824989355.db2.gz BXZLQZBGRHRFGE-RHYQMDGZSA-N 2 0 254.378 -0.335 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220221161 824989622 /nfs/dbraw/zinc/98/96/22/824989622.db2.gz SQLAOSTTZHUSAK-XQQFMLRXSA-N 2 0 296.415 -0.694 20 0 CBADRP CC1(C)C[C@H](NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCO1 ZINC001220219207 824989729 /nfs/dbraw/zinc/98/97/29/824989729.db2.gz TXYRGSCETSIGOU-GHMZBOCLSA-N 2 0 267.373 -0.131 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230690 824990889 /nfs/dbraw/zinc/99/08/89/824990889.db2.gz OOLVCEMZICJIFV-MNOVXSKESA-N 2 0 255.362 -0.491 20 0 CBADRP CN1C[C@H](CNC(=O)[C@@H]([NH3+])CCCC[NH3+])CC1=O ZINC001220245130 824993230 /nfs/dbraw/zinc/99/32/30/824993230.db2.gz HKQGODMJZSUYEM-UWVGGRQHSA-N 2 0 256.350 -0.963 20 0 CBADRP O=C(NCc1nc[nH]n1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220250403 824994951 /nfs/dbraw/zinc/99/49/51/824994951.db2.gz ZQBBOLWGIUVOIW-SECBINFHSA-N 2 0 264.333 -0.705 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220252022 824996301 /nfs/dbraw/zinc/99/63/01/824996301.db2.gz LUJJLOLOERRUMP-NEPJUHHUSA-N 3 0 266.389 -0.604 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001220254142 824996372 /nfs/dbraw/zinc/99/63/72/824996372.db2.gz KCWZQXGUVVWIDL-XTZNXHDOSA-N 2 0 277.434 -0.214 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220254174 824996623 /nfs/dbraw/zinc/99/66/23/824996623.db2.gz LKUZRKJXQAHKEA-ZDUSSCGKSA-N 3 0 299.463 -0.559 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001220254143 824997008 /nfs/dbraw/zinc/99/70/08/824997008.db2.gz KCWZQXGUVVWIDL-YPMLDQLKSA-N 2 0 277.434 -0.214 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001220254806 824998451 /nfs/dbraw/zinc/99/84/51/824998451.db2.gz YKOMBMGLGQFMDN-CYBMUJFWSA-N 2 0 256.394 -0.229 20 0 CBADRP [NH3+]CCN(C(=O)[C@@]12C[NH2+]C[C@H]1CCN2)c1cccnc1 ZINC001220261347 824999759 /nfs/dbraw/zinc/99/97/59/824999759.db2.gz XJTLZSKQZBHYMO-BXUZGUMPSA-N 2 0 275.356 -0.675 20 0 CBADRP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277173 825003316 /nfs/dbraw/zinc/00/33/16/825003316.db2.gz TZEXBGFUPKRZPY-XQQFMLRXSA-N 2 0 287.404 -0.740 20 0 CBADRP C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276697 825003992 /nfs/dbraw/zinc/00/39/92/825003992.db2.gz IPBDKUWXVBNPTI-UTUOFQBUSA-N 2 0 275.368 -0.153 20 0 CBADRP Cn1cc(CCNC(=O)[C@@H]([NH3+])CSCC[NH3+])cn1 ZINC001220276865 825004031 /nfs/dbraw/zinc/00/40/31/825004031.db2.gz SOWAZZAKTCECLD-JTQLQIEISA-N 2 0 271.390 -0.902 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001220282816 825005861 /nfs/dbraw/zinc/00/58/61/825005861.db2.gz NWASUNZSHUQLQT-AGIUHOORSA-N 2 0 266.389 -0.462 20 0 CBADRP O=C(NCC1OCCO1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220289027 825006497 /nfs/dbraw/zinc/00/64/97/825006497.db2.gz PQCFRLVMXHNANS-SNVBAGLBSA-N 2 0 269.345 -0.650 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](CO)Cc1c[nH]cn1 ZINC001220290716 825007030 /nfs/dbraw/zinc/00/70/30/825007030.db2.gz CIFCOKOPTOJKFU-NEPJUHHUSA-N 2 0 283.376 -0.854 20 0 CBADRP O=C(N[C@H]1COC(=O)C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220295912 825008232 /nfs/dbraw/zinc/00/82/32/825008232.db2.gz AOOYGHJFBCCZDU-NXEZZACHSA-N 2 0 267.329 -0.708 20 0 CBADRP C[N@@H+]1CCCN(CCNC(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001220307153 825009162 /nfs/dbraw/zinc/00/91/62/825009162.db2.gz SWJROUJCGLRVIH-AWEZNQCLSA-N 3 0 299.463 -0.414 20 0 CBADRP C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1cnn(C)c1 ZINC001220308078 825008921 /nfs/dbraw/zinc/00/89/21/825008921.db2.gz BTEXCHDLTUJKAQ-MPKXVKKWSA-N 2 0 277.372 -0.204 20 0 CBADRP C[N@@H+]1CCCN(CCNC(=O)[C@H]([NH3+])Cc2cnc[nH]2)CC1 ZINC001220303809 825009619 /nfs/dbraw/zinc/00/96/19/825009619.db2.gz DWHMSGTYJGAKJB-CYBMUJFWSA-N 2 0 294.403 -0.967 20 0 CBADRP C[N@@H+]1CCCN(CCNC(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC001220303788 825010925 /nfs/dbraw/zinc/01/09/25/825010925.db2.gz CRXOSWXNYYDQEA-CHWSQXEVSA-N 2 0 268.405 -0.133 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NCc1ncn2c1C[NH2+]CCC2 ZINC001220312870 825011854 /nfs/dbraw/zinc/01/18/54/825011854.db2.gz HPVZYRJIJQWNGA-NSHDSACASA-N 2 0 293.371 -0.629 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315451 825012072 /nfs/dbraw/zinc/01/20/72/825012072.db2.gz CQLIGLYQUYVUMC-DYEKYZERSA-N 3 0 284.404 -0.530 20 0 CBADRP [NH3+][C@H]1CC[C@@H]1C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220311055 825012777 /nfs/dbraw/zinc/01/27/77/825012777.db2.gz JROSGFPVZQAADV-UWVGGRQHSA-N 2 0 263.345 -0.270 20 0 CBADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001220317042 825013785 /nfs/dbraw/zinc/01/37/85/825013785.db2.gz VDJHLCKLPVCXCX-YCGPCKTQSA-N 2 0 265.357 -0.521 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220317510 825013856 /nfs/dbraw/zinc/01/38/56/825013856.db2.gz ZFQJOOZUJYULFX-VNHYZAJKSA-N 3 0 298.431 -0.269 20 0 CBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316893 825014042 /nfs/dbraw/zinc/01/40/42/825014042.db2.gz UMJBYDSKNMAEMN-OUCADQQQSA-N 2 0 293.371 -0.693 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316174 825014277 /nfs/dbraw/zinc/01/42/77/825014277.db2.gz MWERMXUBNRJTQK-NTZNESFSSA-N 3 0 270.377 -0.920 20 0 CBADRP [NH3+][C@H](C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)C1CC[NH2+]CC1 ZINC001220319147 825014376 /nfs/dbraw/zinc/01/43/76/825014376.db2.gz DIPINENMSIWVRQ-KCQAQPDRSA-N 3 0 296.415 -0.659 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCc1cn[nH]n1 ZINC001220328654 825015537 /nfs/dbraw/zinc/01/55/37/825015537.db2.gz AQVKEHYFITWXBM-NSHDSACASA-N 2 0 268.365 -0.084 20 0 CBADRP NC(=[NH2+])NCCCCC(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220320608 825015548 /nfs/dbraw/zinc/01/55/48/825015548.db2.gz OJOBSTHUMHSBSU-RISCZKNCSA-N 2 0 297.403 -0.333 20 0 CBADRP [NH3+][C@@H](C(=O)N[C@H]1CC12CCOCC2)C1CC[NH2+]CC1 ZINC001220329168 825015551 /nfs/dbraw/zinc/01/55/51/825015551.db2.gz IDLVUCKTCAIEIU-NWDGAFQWSA-N 2 0 267.373 -0.001 20 0 CBADRP NC1(C(=O)N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)CC[NH2+]CC1 ZINC001220321447 825015635 /nfs/dbraw/zinc/01/56/35/825015635.db2.gz UFCXUUUQWYEQAW-AAEUAGOBSA-N 2 0 282.388 -0.905 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@]1(N)CC[NH2+]C1 ZINC001220335970 825016608 /nfs/dbraw/zinc/01/66/08/825016608.db2.gz ZUNXMUTURAEATN-GXTWGEPZSA-N 2 0 268.405 -0.086 20 0 CBADRP O=C(N[C@H]1CC12CCOCC2)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220329401 825017068 /nfs/dbraw/zinc/01/70/68/825017068.db2.gz ONEIGRIMJGLPLK-MNOVXSKESA-N 2 0 265.357 -0.519 20 0 CBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001220335799 825017307 /nfs/dbraw/zinc/01/73/07/825017307.db2.gz UNNRZPXVQTZTBS-AGIUHOORSA-N 2 0 269.389 -0.054 20 0 CBADRP COc1ccc(CNC(=O)[C@@H]([NH3+])CCC[NH3+])nn1 ZINC001220343103 825020316 /nfs/dbraw/zinc/02/03/16/825020316.db2.gz DZWREMMFXBWWBU-VIFPVBQESA-N 2 0 253.306 -0.832 20 0 CBADRP COC(=O)c1n[nH]cc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220373656 825023641 /nfs/dbraw/zinc/02/36/41/825023641.db2.gz WOXIONQCIADEIN-ZCFIWIBFSA-N 2 0 255.278 -0.799 20 0 CBADRP CN1CCOC[C@@H]1CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220382230 825024772 /nfs/dbraw/zinc/02/47/72/825024772.db2.gz TYRMNKKFJBGZMD-QWHCGFSZSA-N 2 0 296.415 -0.693 20 0 CBADRP CN1CCOC[C@H]1CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220382228 825025152 /nfs/dbraw/zinc/02/51/52/825025152.db2.gz TYRMNKKFJBGZMD-CHWSQXEVSA-N 2 0 296.415 -0.693 20 0 CBADRP C[NH+](C)CCC(C)(C)NC(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220385925 825026183 /nfs/dbraw/zinc/02/61/83/825026183.db2.gz DKLRFXIHNAKHNC-RISCZKNCSA-N 2 0 268.405 -0.216 20 0 CBADRP O=C(NCc1ncccc1O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220389973 825027416 /nfs/dbraw/zinc/02/74/16/825027416.db2.gz JBPAMBPARSQFCV-VIFPVBQESA-N 2 0 262.313 -0.788 20 0 CBADRP O=C(NCC12CC[NH+](CC1)CC2)[C@H]1[NH2+]CC[C@@H]1O ZINC001220394821 825029005 /nfs/dbraw/zinc/02/90/05/825029005.db2.gz NMXJYWFMRIOLDO-QWRGUYRKSA-N 2 0 253.346 -0.689 20 0 CBADRP COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001220405727 825031391 /nfs/dbraw/zinc/03/13/91/825031391.db2.gz CKGUWCTYHORSLS-WOPDTQHZSA-N 2 0 283.372 -0.229 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC1CCN(CCF)CC1 ZINC001220435360 825040122 /nfs/dbraw/zinc/04/01/22/825040122.db2.gz HGUCRJCBNZXZRH-NSHDSACASA-N 2 0 260.357 -0.397 20 0 CBADRP O=C(N[C@@H](CO)C(F)(F)F)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220448009 825041035 /nfs/dbraw/zinc/04/10/35/825041035.db2.gz UOJFJTGMYLHAMU-KHQFGBGNSA-N 2 0 281.278 -0.775 20 0 CBADRP COCCOc1ccc(CNC(=O)[C@H]([NH3+])CCC[NH3+])cn1 ZINC001220458601 825042294 /nfs/dbraw/zinc/04/22/94/825042294.db2.gz XADOUOWMBPPEKD-GFCCVEGCSA-N 2 0 296.371 -0.211 20 0 CBADRP O=C(NC[C@H](O)C1CCCCC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220466320 825044517 /nfs/dbraw/zinc/04/45/17/825044517.db2.gz ATMYVNQLWMUAIA-STQMWFEESA-N 2 0 281.400 -0.147 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCC(=O)Cc1ccccc1 ZINC001220462544 825045160 /nfs/dbraw/zinc/04/51/60/825045160.db2.gz FNBZCVPGLZXTQR-ZDUSSCGKSA-N 2 0 295.408 -0.066 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220481794 825049014 /nfs/dbraw/zinc/04/90/14/825049014.db2.gz RPFVXXLOPXILIZ-UPJWGTAASA-N 2 0 287.404 -0.564 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC001220494720 825049427 /nfs/dbraw/zinc/04/94/27/825049427.db2.gz RHDDAVLOWCSERI-NSHDSACASA-N 2 0 265.361 -0.322 20 0 CBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCC1([NH3+])CCCC1 ZINC001220497062 825050163 /nfs/dbraw/zinc/05/01/63/825050163.db2.gz JGXXTQFZWGNFHO-GFCCVEGCSA-N 3 0 283.420 -0.876 20 0 CBADRP CN(CC[NH3+])CCNC(=O)[C@H]([NH3+])Cc1ccccc1F ZINC001220516180 825053250 /nfs/dbraw/zinc/05/32/50/825053250.db2.gz RGIYALAURADCQH-CYBMUJFWSA-N 2 0 282.363 -0.298 20 0 CBADRP [NH3+]CCOCCOCCNC(=O)C1CC2(C[NH2+]C2)C1 ZINC001220519086 825053925 /nfs/dbraw/zinc/05/39/25/825053925.db2.gz ANJXQVCTJRQJDR-UHFFFAOYSA-N 2 0 271.361 -0.906 20 0 CBADRP CN(CC[NH3+])CCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC001220515617 825054292 /nfs/dbraw/zinc/05/42/92/825054292.db2.gz HRTBHPKNZSQKEQ-LBPRGKRZSA-N 2 0 250.346 -0.307 20 0 CBADRP CN(CC[NH3+])CCNC(=O)[C@H]([NH3+])Cc1cccc(O)c1 ZINC001220517738 825054425 /nfs/dbraw/zinc/05/44/25/825054425.db2.gz XYPKKORBRLGTFP-CYBMUJFWSA-N 2 0 280.372 -0.731 20 0 CBADRP CN(CC[NH3+])CCNC(=O)c1ccc([C@@H](N)C[NH3+])cc1 ZINC001220517444 825054708 /nfs/dbraw/zinc/05/47/08/825054708.db2.gz LUJGQARPPRPCIR-ZDUSSCGKSA-N 2 0 279.388 -0.735 20 0 CBADRP CN(CC[NH3+])CCNC(=O)c1cccc(C[NH3+])c1 ZINC001220517789 825054929 /nfs/dbraw/zinc/05/49/29/825054929.db2.gz ZWBPFUXOJWPVLC-UHFFFAOYSA-N 2 0 250.346 -0.234 20 0 CBADRP [NH3+]CCOCCOCCNC(=O)c1cccc(C[NH3+])c1 ZINC001220522015 825056670 /nfs/dbraw/zinc/05/66/70/825056670.db2.gz XRBLDNBMYTXHDY-UHFFFAOYSA-N 2 0 281.356 -0.133 20 0 CBADRP C[C@@H]1COCC[C@@H]1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220565227 825062896 /nfs/dbraw/zinc/06/28/96/825062896.db2.gz KWPBGFVSEPNVCS-RTXFEEFZSA-N 2 0 284.404 -0.722 20 0 CBADRP C[C@@H]1COCC[C@H]1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220565912 825064594 /nfs/dbraw/zinc/06/45/94/825064594.db2.gz UXAFDLAYLDPAIX-KXUCPTDWSA-N 2 0 261.391 -0.453 20 0 CBADRP CCOC(=O)CN(CC[NH3+])C(=O)C1CC2(C[NH2+]C2)C1 ZINC001220583082 825071588 /nfs/dbraw/zinc/07/15/88/825071588.db2.gz DAHITWKAQOJAQP-UHFFFAOYSA-N 2 0 269.345 -0.664 20 0 CBADRP CN1CCC[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C1=O ZINC001220591260 825073287 /nfs/dbraw/zinc/07/32/87/825073287.db2.gz ZXZLQVMLNKTMPV-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CN1CCC[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C1=O ZINC001220590308 825073896 /nfs/dbraw/zinc/07/38/96/825073896.db2.gz KVWGAYKIHQADEE-UWVGGRQHSA-N 2 0 256.350 -0.820 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220651304 825080985 /nfs/dbraw/zinc/08/09/85/825080985.db2.gz JFBOFAXGCXZJBX-ZDUSSCGKSA-N 2 0 291.399 -0.612 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1O ZINC001220682946 825083479 /nfs/dbraw/zinc/08/34/79/825083479.db2.gz IHORBNLWMIWZTQ-NEPJUHHUSA-N 2 0 275.368 -0.151 20 0 CBADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220678606 825084464 /nfs/dbraw/zinc/08/44/64/825084464.db2.gz GCGASMQWGCTJDQ-LOWDOPEQSA-N 2 0 294.399 -0.894 20 0 CBADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220680828 825085572 /nfs/dbraw/zinc/08/55/72/825085572.db2.gz SIRIANHZYNCVMI-YBXAARCKSA-N 2 0 253.346 -0.502 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](C)OC)C[C@@H]1O ZINC001220688505 825086736 /nfs/dbraw/zinc/08/67/36/825086736.db2.gz JEOXTYNIYARLNF-XQQFMLRXSA-N 2 0 287.404 -0.476 20 0 CBADRP CC(=O)CC(C)(C)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220687300 825087538 /nfs/dbraw/zinc/08/75/38/825087538.db2.gz LQYWODNYPOGMAE-SNVBAGLBSA-N 2 0 253.346 -0.331 20 0 CBADRP O=C(NCC1Oc2ccccc2O1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220708921 825090054 /nfs/dbraw/zinc/09/00/54/825090054.db2.gz LSHLZOKJENGQEM-SNVBAGLBSA-N 2 0 289.335 -0.291 20 0 CBADRP [NH3+]Cc1ncccc1NC(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220711691 825091516 /nfs/dbraw/zinc/09/15/16/825091516.db2.gz RBOCTTXKDJAHDY-NOZJJQNGSA-N 2 0 261.329 -0.570 20 0 CBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1C[NH2+]C[C@H]1O)C2 ZINC001220716825 825094112 /nfs/dbraw/zinc/09/41/12/825094112.db2.gz SGYWAQSNOWUJBT-IEECTRCBSA-N 2 0 267.373 -0.302 20 0 CBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@]1(N)CC[NH2+]C1)C2 ZINC001220717015 825094451 /nfs/dbraw/zinc/09/44/51/825094451.db2.gz XAJWJALEBWHFLP-FMSGJZPZSA-N 2 0 266.389 -0.191 20 0 CBADRP O=C(NC1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC001220743626 825095423 /nfs/dbraw/zinc/09/54/23/825095423.db2.gz KHIHNVQZEAZHQL-KBPBESRZSA-N 2 0 290.367 -0.253 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001220743772 825095882 /nfs/dbraw/zinc/09/58/82/825095882.db2.gz PDJLMGADPMWQQG-ZDUSSCGKSA-N 2 0 277.372 -0.157 20 0 CBADRP O=C(NC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[NH2+]CCN1 ZINC001220743511 825096402 /nfs/dbraw/zinc/09/64/02/825096402.db2.gz FTPXDNZXTVETFI-AWEZNQCLSA-N 2 0 289.383 -0.272 20 0 CBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220789075 825102177 /nfs/dbraw/zinc/10/21/77/825102177.db2.gz JAFHXVZGWHOQCK-ZOBORPQBSA-N 2 0 289.383 -0.605 20 0 CBADRP N[C@@H](CC[NH3+])C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220788454 825102240 /nfs/dbraw/zinc/10/22/40/825102240.db2.gz DZWNFVNRFMVLOL-FRRDWIJNSA-N 2 0 277.372 -0.476 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)NC[C@H]2CC[NH2+][C@H]2c2cccnc2)C1 ZINC001220788592 825102910 /nfs/dbraw/zinc/10/29/10/825102910.db2.gz FHEMOSDFFAZQHA-RFGFWPKPSA-N 2 0 289.383 -0.462 20 0 CBADRP [NH3+][C@@H]1CN[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)C1 ZINC001220806044 825104071 /nfs/dbraw/zinc/10/40/71/825104071.db2.gz XEXRLXJMJRDRRX-KDXUFGMBSA-N 2 0 280.294 -0.668 20 0 CBADRP [NH3+]CCNCC(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220803671 825104100 /nfs/dbraw/zinc/10/41/00/825104100.db2.gz JXRGDMIPKSYSEI-YUMQZZPRSA-N 2 0 268.283 -0.809 20 0 CBADRP [NH3+][C@H](C(=O)NCCN1CCC(F)(F)C1)C1CC[NH2+]CC1 ZINC001220808227 825104185 /nfs/dbraw/zinc/10/41/85/825104185.db2.gz MGTBIKXKCLWLGP-NSHDSACASA-N 2 0 290.358 -0.230 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@@H]1C[NH2+]CCN1 ZINC001220803690 825104586 /nfs/dbraw/zinc/10/45/86/825104586.db2.gz KBLOXGRWKGGUFQ-CIUDSAMLSA-N 2 0 280.294 -0.796 20 0 CBADRP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220806477 825104748 /nfs/dbraw/zinc/10/47/48/825104748.db2.gz DOYOSURYVMOCSI-UPJWGTAASA-N 2 0 287.404 -0.740 20 0 CBADRP NC1(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)CC[NH2+]CC1 ZINC001220803493 825104754 /nfs/dbraw/zinc/10/47/54/825104754.db2.gz HSRQOLWPMGLWQM-IUCAKERBSA-N 2 0 294.321 -0.276 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC2CC2)C[C@@H]1O ZINC001220816954 825105159 /nfs/dbraw/zinc/10/51/59/825105159.db2.gz IRSJCFBXORXALT-OLZOCXBDSA-N 2 0 269.389 -0.101 20 0 CBADRP O=C(NCc1ccc(O)cc1F)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220821380 825106038 /nfs/dbraw/zinc/10/60/38/825106038.db2.gz HHKWITJAPNVDRQ-NSHDSACASA-N 2 0 279.315 -0.044 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)C[NH2+]C1 ZINC001220827230 825106964 /nfs/dbraw/zinc/10/69/64/825106964.db2.gz KJEOEGIVXDGVDC-YGRLFVJLSA-N 2 0 279.340 -0.477 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]C[C@H](F)C2)C[NH2+]C1 ZINC001220826809 825107176 /nfs/dbraw/zinc/10/71/76/825107176.db2.gz AHQIYZONKNCBMV-RKDXNWHRSA-N 2 0 285.319 -0.529 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C[NH2+]C1 ZINC001220827228 825107647 /nfs/dbraw/zinc/10/76/47/825107647.db2.gz KJEOEGIVXDGVDC-IINYFYTJSA-N 2 0 279.340 -0.477 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](C)OC)C[C@@H]1O ZINC001220828848 825108260 /nfs/dbraw/zinc/10/82/60/825108260.db2.gz FNDFAXIBEZIEIL-UPJWGTAASA-N 2 0 287.404 -0.476 20 0 CBADRP CCOC(=O)C1=C(NC(=O)C[C@@H]2CCC[NH2+]C2)C[NH2+]C1 ZINC001220827857 825108333 /nfs/dbraw/zinc/10/83/33/825108333.db2.gz AJWIBNFXKDLIST-JTQLQIEISA-N 2 0 281.356 -0.087 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CCCC[NH2+]2)C[NH2+]C1 ZINC001220827659 825108369 /nfs/dbraw/zinc/10/83/69/825108369.db2.gz WURAGBMOMGTNEN-JTQLQIEISA-N 2 0 267.329 -0.335 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220831420 825109364 /nfs/dbraw/zinc/10/93/64/825109364.db2.gz YYJRBMNCIMLDCB-MJBXVCDLSA-N 2 0 299.415 -0.474 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@@H](OC)CC[NH2+]2)C[NH2+]C1 ZINC001220830459 825109495 /nfs/dbraw/zinc/10/94/95/825109495.db2.gz XRAHQYOQJDTKEB-ONGXEEELSA-N 2 0 297.355 -0.710 20 0 CBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2[C@H]([NH3+])[C@H]3CC[C@@H]2C3)C[NH2+]C1 ZINC001220830191 825109801 /nfs/dbraw/zinc/10/98/01/825109801.db2.gz QVDHDFBJSDEMKJ-FIDNZITISA-N 2 0 293.367 -0.104 20 0 CBADRP CSCC[C@H](NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C(N)=O ZINC001220840619 825110454 /nfs/dbraw/zinc/11/04/54/825110454.db2.gz QYPUGYRRBVMEDR-UWVGGRQHSA-N 2 0 288.417 -0.964 20 0 CBADRP CCOC(=O)C1(NC(=O)C[C@@H]2CCC[NH2+]C2)C[NH2+]C1 ZINC001220851035 825111664 /nfs/dbraw/zinc/11/16/64/825111664.db2.gz FBZDRJIAGZFTND-JTQLQIEISA-N 2 0 269.345 -0.603 20 0 CBADRP CCOC(=O)[C@@H](C)CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220849122 825112510 /nfs/dbraw/zinc/11/25/10/825112510.db2.gz SRZYDFGYQJPUIU-VHSXEESVSA-N 2 0 269.345 -0.889 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220857903 825113643 /nfs/dbraw/zinc/11/36/43/825113643.db2.gz XFQGEPQDGALILZ-BDAKNGLRSA-N 2 0 273.381 -0.748 20 0 CBADRP N[C@@]1(C(=O)NCc2ccccc2C[NH3+])CCC[NH2+]C1 ZINC001220855059 825113692 /nfs/dbraw/zinc/11/36/92/825113692.db2.gz KOAXAEXBMKBFPO-AWEZNQCLSA-N 2 0 262.357 -0.158 20 0 CBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH3+] ZINC001220855405 825113809 /nfs/dbraw/zinc/11/38/09/825113809.db2.gz XCAIQHLELAWWSV-BUXKBTBVSA-N 2 0 283.397 -0.143 20 0 CBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220857774 825114093 /nfs/dbraw/zinc/11/40/93/825114093.db2.gz RCVOGWBQURAVTM-MMWGEVLESA-N 2 0 254.378 -0.574 20 0 CBADRP CCC[C@@H](CCO)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220868443 825115100 /nfs/dbraw/zinc/11/51/00/825115100.db2.gz JSVWBUSDSUQWFF-WDEREUQCSA-N 2 0 255.362 -0.537 20 0 CBADRP O=C(NCCc1c[nH]c2cc[nH+]cc12)[C@H]1[NH2+]CC[C@@H]1O ZINC001220865723 825115897 /nfs/dbraw/zinc/11/58/97/825115897.db2.gz ITMQZKSMDYATPY-STQMWFEESA-N 2 0 274.324 -0.056 20 0 CBADRP CCC[C@@H](CCO)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220870071 825116817 /nfs/dbraw/zinc/11/68/17/825116817.db2.gz GJODDCFHDQBLEB-UWVGGRQHSA-N 2 0 263.407 -0.327 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220882149 825119676 /nfs/dbraw/zinc/11/96/76/825119676.db2.gz SMHIKWMZKQMDAJ-ONGXEEELSA-N 2 0 251.334 -0.842 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CCSC12C[NH2+]C2 ZINC001220884818 825119877 /nfs/dbraw/zinc/11/98/77/825119877.db2.gz OCISSMKFBQLMJZ-UWVGGRQHSA-N 2 0 255.387 -0.050 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220884407 825119971 /nfs/dbraw/zinc/11/99/71/825119971.db2.gz BMNOGNBSGJTFTN-NTZNESFSSA-N 3 0 252.362 -0.946 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)C1=NO[C@]2(CC[NH2+]C2)C1 ZINC001220884905 825119989 /nfs/dbraw/zinc/11/99/89/825119989.db2.gz RBIBKXJLIDIBLT-BXKDBHETSA-N 2 0 252.318 -0.637 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220884458 825120354 /nfs/dbraw/zinc/12/03/54/825120354.db2.gz CPZPQBLHKFWUCA-NEPJUHHUSA-N 3 0 266.389 -0.271 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220889432 825120892 /nfs/dbraw/zinc/12/08/92/825120892.db2.gz KTHXJJULXCZWKB-HBNTYKKESA-N 2 0 269.345 -0.747 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]C1)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001220890165 825121227 /nfs/dbraw/zinc/12/12/27/825121227.db2.gz UOMBEMSARBDBFP-KGLIPLIRSA-N 2 0 280.416 -0.072 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)c1noc2c1C[NH2+]CC2 ZINC001220896241 825122714 /nfs/dbraw/zinc/12/27/14/825122714.db2.gz GWLVHPJTBOJPAY-QMMMGPOBSA-N 2 0 250.302 -0.198 20 0 CBADRP N[C@@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001220918881 825123677 /nfs/dbraw/zinc/12/36/77/825123677.db2.gz KHSBYBKYGDNQRN-PWSUYJOCSA-N 2 0 254.378 -0.204 20 0 CBADRP COc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H](N)C[NH3+])C1 ZINC001220928537 825123708 /nfs/dbraw/zinc/12/37/08/825123708.db2.gz UBLXZNVJFWRCOA-STQMWFEESA-N 2 0 292.383 -0.328 20 0 CBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930316 825123770 /nfs/dbraw/zinc/12/37/70/825123770.db2.gz NRATUOTZBFJHGJ-OBJOEFQTSA-N 3 0 298.431 -0.060 20 0 CBADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@H]2C[NH2+]C[C@@H]2O)C2COC2)CC1 ZINC001220929788 825123972 /nfs/dbraw/zinc/12/39/72/825123972.db2.gz FJNOXEWTZJGGEB-UKJIMTQDSA-N 2 0 283.372 -0.936 20 0 CBADRP [NH3+][C@H]1CC[C@H](N(C(=O)CN2CC[NH2+]CC2)C2COC2)CC1 ZINC001220929877 825124414 /nfs/dbraw/zinc/12/44/14/825124414.db2.gz IIDFJEXQSQEJDS-JOCQHMNTSA-N 2 0 296.415 -0.611 20 0 CBADRP O=C(NC1(c2ncccn2)CC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220931885 825125535 /nfs/dbraw/zinc/12/55/35/825125535.db2.gz CBPNIAYREWNTBT-JTQLQIEISA-N 2 0 273.340 -0.609 20 0 CBADRP Cc1noc(C2(NC(=O)[C@@H]([NH3+])CSCC[NH3+])CC2)n1 ZINC001220932280 825125903 /nfs/dbraw/zinc/12/59/03/825125903.db2.gz KADIALRQQOMFEE-QMMMGPOBSA-N 2 0 285.373 -0.497 20 0 CBADRP Cc1noc(C2(NC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)CC2)n1 ZINC001220932022 825126267 /nfs/dbraw/zinc/12/62/67/825126267.db2.gz FOHMHVCOBAJKGI-VIFPVBQESA-N 2 0 277.328 -0.708 20 0 CBADRP O=C(N[C@@H]1CCCc2nccnc21)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220948918 825126896 /nfs/dbraw/zinc/12/68/96/825126896.db2.gz KGXGELIQCNDGEP-CMPLNLGQSA-N 2 0 287.367 -0.221 20 0 CBADRP N=c1ncc(C[NH3+])cn1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220950680 825127492 /nfs/dbraw/zinc/12/74/92/825127492.db2.gz CCPQQXLRSZEHJZ-JTQLQIEISA-N 3 0 266.349 -0.692 20 0 CBADRP O=C(N[C@H]1CCCc2nccnc21)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220948920 825127749 /nfs/dbraw/zinc/12/77/49/825127749.db2.gz KGXGELIQCNDGEP-PWSUYJOCSA-N 2 0 287.367 -0.221 20 0 CBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)n1cc(C[NH3+])cnc1=N ZINC001220951396 825128436 /nfs/dbraw/zinc/12/84/36/825128436.db2.gz ZLJVADLPJZXDKH-VIFPVBQESA-N 2 0 267.333 -0.396 20 0 CBADRP CCCC(C[NH3+])(CCC)NC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001221373782 825178719 /nfs/dbraw/zinc/17/87/19/825178719.db2.gz NNYKSRWXNJLDMK-GHMZBOCLSA-N 2 0 257.378 -0.019 20 0 CBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)n1cc(C[NH3+])cnc1=N ZINC001220950869 825129317 /nfs/dbraw/zinc/12/93/17/825129317.db2.gz JFYRUIFICHKIDD-LBPRGKRZSA-N 3 0 294.403 -0.043 20 0 CBADRP CC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986299 825132493 /nfs/dbraw/zinc/13/24/93/825132493.db2.gz ZKYZCJJPKFLPML-UPJWGTAASA-N 2 0 285.388 -0.864 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCO1 ZINC001221010684 825135028 /nfs/dbraw/zinc/13/50/28/825135028.db2.gz ODYXBXAIUZCTBU-USWWRNFRSA-N 2 0 255.362 -0.003 20 0 CBADRP [NH3+][C@H](C(=O)NCCc1nncs1)C1CC[NH2+]CC1 ZINC001221012819 825137054 /nfs/dbraw/zinc/13/70/54/825137054.db2.gz CECICWFKEFANFN-JTQLQIEISA-N 2 0 269.374 -0.476 20 0 CBADRP O=C(NCc1cn(CC2CC2)cn1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221024145 825138683 /nfs/dbraw/zinc/13/86/83/825138683.db2.gz ZKVHLDGPPPBFRS-ZDUSSCGKSA-N 2 0 289.383 -0.282 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001221056463 825139580 /nfs/dbraw/zinc/13/95/80/825139580.db2.gz TYOHTNGWOXVUCV-MGPQQGTHSA-N 3 0 298.431 -0.188 20 0 CBADRP [NH3+]CCN(C(=O)C[C@@H](O)C[NH3+])c1ccc(F)cc1 ZINC001221061063 825139887 /nfs/dbraw/zinc/13/98/87/825139887.db2.gz YVAMCWVTQXSADV-LLVKDONJSA-N 2 0 255.293 -0.173 20 0 CBADRP [NH3+]CCN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccc(F)cc1 ZINC001221060618 825140609 /nfs/dbraw/zinc/14/06/09/825140609.db2.gz HQOLVVBBOSWNIJ-VXGBXAGGSA-N 2 0 267.304 -0.160 20 0 CBADRP COC(=O)c1ccc(CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)[nH]1 ZINC001221080342 825141537 /nfs/dbraw/zinc/14/15/37/825141537.db2.gz YALNCWXFKAIZNC-LBPRGKRZSA-N 2 0 294.355 -0.256 20 0 CBADRP O=C(NC1(c2cnccn2)CC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221082287 825142028 /nfs/dbraw/zinc/14/20/28/825142028.db2.gz OFGGDKHZRONWQY-SNVBAGLBSA-N 2 0 273.340 -0.609 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221121946 825144968 /nfs/dbraw/zinc/14/49/68/825144968.db2.gz YPQKHZVSLRKNIZ-GFCCVEGCSA-N 2 0 278.356 -0.514 20 0 CBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1ccnn1CCF ZINC001221106429 825145453 /nfs/dbraw/zinc/14/54/53/825145453.db2.gz YWXZKGXACIHZJL-SNVBAGLBSA-N 2 0 257.313 -0.465 20 0 CBADRP [NH3+][C@H](C(=O)NCc1ccnn1CCF)C1CC[NH2+]CC1 ZINC001221107586 825145569 /nfs/dbraw/zinc/14/55/69/825145569.db2.gz FWRMHTCHIFCHGS-LBPRGKRZSA-N 2 0 283.351 -0.204 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001221134102 825146427 /nfs/dbraw/zinc/14/64/27/825146427.db2.gz KZZCVYHSFHHKIM-WFASDCNBSA-N 2 0 296.415 -0.706 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)C2(N)CC[NH2+]CC2)CC1 ZINC001221133961 825146628 /nfs/dbraw/zinc/14/66/28/825146628.db2.gz DOBLARGPIGRPIS-UHFFFAOYSA-N 2 0 284.404 -0.576 20 0 CBADRP COCCC1([NH3+])CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001221134099 825146900 /nfs/dbraw/zinc/14/69/00/825146900.db2.gz KZZCVYHSFHHKIM-DOMZBBRYSA-N 2 0 296.415 -0.706 20 0 CBADRP COCC1(CNC(=O)[C@@H]([NH3+])CCC[NH3+])CCOCC1 ZINC001221176540 825149737 /nfs/dbraw/zinc/14/97/37/825149737.db2.gz CMIYPQBURMCCGS-NSHDSACASA-N 2 0 273.377 -0.388 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001221190370 825151124 /nfs/dbraw/zinc/15/11/24/825151124.db2.gz KTPRWRKDPKMIDU-UTLUCORTSA-N 2 0 275.324 -0.669 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001221188249 825151739 /nfs/dbraw/zinc/15/17/39/825151739.db2.gz QLVHGUWWLYDVTO-FIQHERPVSA-N 2 0 299.371 -0.850 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC001221188541 825151800 /nfs/dbraw/zinc/15/18/00/825151800.db2.gz XHVONHJKLWAFPL-MXWKQRLJSA-N 2 0 271.361 -0.229 20 0 CBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1nc2cc[nH]cc-2n1 ZINC001221194071 825152836 /nfs/dbraw/zinc/15/28/36/825152836.db2.gz KUPCGMRRIAXLAX-QMMMGPOBSA-N 2 0 294.384 -0.407 20 0 CBADRP C[N@@H+]1CCC[C@](C)(NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001221243214 825160012 /nfs/dbraw/zinc/16/00/12/825160012.db2.gz GSCYXKQRJXXHEF-FZMZJTMJSA-N 2 0 282.388 -0.463 20 0 CBADRP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@H](N)CN2CCC([NH3+])CC2)C1 ZINC001221243746 825160812 /nfs/dbraw/zinc/16/08/12/825160812.db2.gz MGLGPWIEKITUKQ-UKRRQHHQSA-N 3 0 297.447 -0.663 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)CNC2CC[NH2+]CC2)C1 ZINC001221253986 825161548 /nfs/dbraw/zinc/16/15/48/825161548.db2.gz DOWFGQJCQHYLRI-NSHDSACASA-N 2 0 254.378 -0.604 20 0 CBADRP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001221246341 825162242 /nfs/dbraw/zinc/16/22/42/825162242.db2.gz YFYIXSWZXVLPAN-IMJJTQAJSA-N 2 0 292.427 -0.024 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221248041 825162252 /nfs/dbraw/zinc/16/22/52/825162252.db2.gz GZKBGRBNNXVMAL-OAHLLOKOSA-N 2 0 280.416 -0.070 20 0 CBADRP CCOC(=O)/C=C(/NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)OCC ZINC001221262511 825163650 /nfs/dbraw/zinc/16/36/50/825163650.db2.gz GWPGBJIQOOBGLF-QIMWGGGBSA-N 2 0 297.355 -0.647 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCNC(=O)C1 ZINC001221269520 825165354 /nfs/dbraw/zinc/16/53/54/825165354.db2.gz PFXBLASKVBGLBK-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221332616 825172234 /nfs/dbraw/zinc/17/22/34/825172234.db2.gz LREBGCAKKLEMGM-KBPBESRZSA-N 2 0 291.351 -0.211 20 0 CBADRP [NH3+]CCNCC(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221333363 825172303 /nfs/dbraw/zinc/17/23/03/825172303.db2.gz SKSFYQRSVIYVBI-ZDUSSCGKSA-N 2 0 262.357 -0.553 20 0 CBADRP Cc1cnc(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c(=O)[nH]1 ZINC001221329282 825172456 /nfs/dbraw/zinc/17/24/56/825172456.db2.gz QGJPVVVLDMZHRL-JTQLQIEISA-N 2 0 291.355 -0.109 20 0 CBADRP O=C(NC[C@@H](O)CF)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221339084 825173380 /nfs/dbraw/zinc/17/33/80/825173380.db2.gz VXXCIEVURQMGPU-UWVGGRQHSA-N 2 0 259.325 -0.693 20 0 CBADRP O=C(NC[C@H](O)CF)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221339086 825173392 /nfs/dbraw/zinc/17/33/92/825173392.db2.gz VXXCIEVURQMGPU-ZJUUUORDSA-N 2 0 259.325 -0.693 20 0 CBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1ccc(-n2ccnn2)cc1 ZINC001221338709 825173946 /nfs/dbraw/zinc/17/39/46/825173946.db2.gz ROUVMJCXAQSDJU-ZDUSSCGKSA-N 2 0 288.355 -0.050 20 0 CBADRP [NH3+]CCCCNC(=O)[C@@H]1C[NH2+]CC12CCOCC2 ZINC001221345101 825174524 /nfs/dbraw/zinc/17/45/24/825174524.db2.gz OXRSKJGHOQXCLC-NSHDSACASA-N 2 0 255.362 -0.142 20 0 CBADRP [NH3+]CCCCNC(=O)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001221344005 825175040 /nfs/dbraw/zinc/17/50/40/825175040.db2.gz TXERMLBSCCXFDJ-NSHDSACASA-N 2 0 292.387 -0.616 20 0 CBADRP [NH3+]CCCCNC(=O)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001221344004 825175187 /nfs/dbraw/zinc/17/51/87/825175187.db2.gz TXERMLBSCCXFDJ-LLVKDONJSA-N 2 0 292.387 -0.616 20 0 CBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221365330 825175877 /nfs/dbraw/zinc/17/58/77/825175877.db2.gz CBDBJQOFTZXIPH-OUAUKWLOSA-N 2 0 269.324 -0.894 20 0 CBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221367540 825176463 /nfs/dbraw/zinc/17/64/63/825176463.db2.gz QPIRUTWDYHWPOY-GRYCIOLGSA-N 3 0 274.384 -0.138 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H]1CNC(=O)C1(C)C ZINC001221368301 825177373 /nfs/dbraw/zinc/17/73/73/825177373.db2.gz FJQWHOLUCJQGRU-VHSXEESVSA-N 2 0 270.377 -0.656 20 0 CBADRP COC1CC(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001221367994 825177668 /nfs/dbraw/zinc/17/76/68/825177668.db2.gz VMZMTOMDLQZVMN-VQXHTEKXSA-N 2 0 253.346 -0.663 20 0 CBADRP O=C(NC[C@@H](CO)c1ccccc1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221376639 825179136 /nfs/dbraw/zinc/17/91/36/825179136.db2.gz DVDHJCYCERTPQK-UONOGXRCSA-N 2 0 289.379 -0.312 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1CCC(C2=CC=C(N)C[NH2+]2)CC1 ZINC001221392288 825180374 /nfs/dbraw/zinc/18/03/74/825180374.db2.gz UJBIUXBRWOZXOT-SECBINFHSA-N 2 0 250.346 -0.098 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001221391020 825180534 /nfs/dbraw/zinc/18/05/34/825180534.db2.gz UTCKADPYEGMZBQ-UWVGGRQHSA-N 3 0 255.366 -0.212 20 0 CBADRP CC(C)N(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C(C)(C)C[NH3+] ZINC001221395666 825181218 /nfs/dbraw/zinc/18/12/18/825181218.db2.gz XHXAGSYLGUEOKZ-CYBMUJFWSA-N 3 0 299.463 -0.289 20 0 CBADRP C[C@@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)c1ccno1 ZINC001221397427 825181303 /nfs/dbraw/zinc/18/13/03/825181303.db2.gz OAIROZLYFPVQBD-MWLCHTKSSA-N 2 0 281.360 -0.398 20 0 CBADRP N[C@@]1(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC[NH2+]C1 ZINC001221400120 825183159 /nfs/dbraw/zinc/18/31/59/825183159.db2.gz YRFOLPUZVCRLOW-ZFWWWQNUSA-N 2 0 274.368 -0.492 20 0 CBADRP COc1cccc([C@H](C[NH3+])NC(=O)CNCC[NH3+])c1 ZINC001221406039 825183823 /nfs/dbraw/zinc/18/38/23/825183823.db2.gz ZDBUFHNQSWEEPE-LBPRGKRZSA-N 2 0 266.345 -0.641 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CCN2)[C@@H](C)C1 ZINC001221406251 825183855 /nfs/dbraw/zinc/18/38/55/825183855.db2.gz DXNUNHIQGIFHGE-AVGNSLFASA-N 2 0 268.405 -0.217 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)CC[NH3+])[C@H](C)C1 ZINC001221405839 825183979 /nfs/dbraw/zinc/18/39/79/825183979.db2.gz CDAKTLGHZZWXGU-GRYCIOLGSA-N 2 0 256.394 -0.103 20 0 CBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1nnc(C)[nH]1 ZINC001221406181 825184069 /nfs/dbraw/zinc/18/40/69/825184069.db2.gz DPYQWAVXFNCZOK-VIFPVBQESA-N 2 0 254.338 -0.554 20 0 CBADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@H]2C[NH2+]C[C@@H]2N)c1 ZINC001221405725 825184407 /nfs/dbraw/zinc/18/44/07/825184407.db2.gz VTSDKZLHRMTHSM-RWMBFGLXSA-N 2 0 278.356 -0.642 20 0 CBADRP COc1cccc([C@H](C[NH3+])NC(=O)C2(N)CC[NH2+]CC2)c1 ZINC001221406541 825184433 /nfs/dbraw/zinc/18/44/33/825184433.db2.gz SGHIHMJJQVBHJL-ZDUSSCGKSA-N 2 0 292.383 -0.108 20 0 CBADRP Cc1nnc(CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])[nH]1 ZINC001221408037 825185057 /nfs/dbraw/zinc/18/50/57/825185057.db2.gz OFMCKUJAJYULIS-VIFPVBQESA-N 2 0 254.338 -0.424 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)C[C@@H](O)C[NH3+])[C@H](C)C1 ZINC001221409968 825185938 /nfs/dbraw/zinc/18/59/38/825185938.db2.gz WCZYOOXANZLJFY-IJLUTSLNSA-N 2 0 257.378 -0.069 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)[C@@H](C)C1 ZINC001221409891 825186107 /nfs/dbraw/zinc/18/61/07/825186107.db2.gz VLYXPNZIGUPLRY-UMSGYPCISA-N 2 0 269.389 -0.056 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221415110 825187690 /nfs/dbraw/zinc/18/76/90/825187690.db2.gz XSJSRUYWBACPFP-OCCSQVGLSA-N 2 0 267.373 -0.131 20 0 CBADRP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001221411960 825187710 /nfs/dbraw/zinc/18/77/10/825187710.db2.gz ZWZSJIGHVDJRQI-SRVKXCTJSA-N 2 0 253.346 -0.787 20 0 CBADRP C(C[N@@H+]1CCNC2(CC[NH2+]CC2)C1)[C@H]1C[NH2+]CCO1 ZINC001222086243 825199403 /nfs/dbraw/zinc/19/94/03/825199403.db2.gz USQNBQKHNMLMIJ-ZDUSSCGKSA-N 3 0 268.405 -0.608 20 0 CBADRP C([C@@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@@]2(CCCCN2)C1 ZINC001222666253 825220781 /nfs/dbraw/zinc/22/07/81/825220781.db2.gz ANNBWHSJFPTERM-KBPBESRZSA-N 2 0 268.405 -0.608 20 0 CBADRP CC[C@H](C(=O)NCC1CC[NH+](CC(=O)NC)CC1)[NH+](C)C ZINC001223597170 825232571 /nfs/dbraw/zinc/23/25/71/825232571.db2.gz KEHWFSDRRJKZLF-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCC2CC[NH+](CC(N)=O)CC2)C1 ZINC001224560772 825243611 /nfs/dbraw/zinc/24/36/11/825243611.db2.gz XDAKVJQFXWNMPA-LBPRGKRZSA-N 2 0 296.415 -0.358 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1CC[NH+](CC(=O)NC)CC1 ZINC001225228137 825254030 /nfs/dbraw/zinc/25/40/30/825254030.db2.gz DHHHAYFNHGJPAI-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC001228355403 825316778 /nfs/dbraw/zinc/31/67/78/825316778.db2.gz MYKNVHKSKSKOMA-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O)[NH+](C)C ZINC001228660391 825320011 /nfs/dbraw/zinc/32/00/11/825320011.db2.gz FIONSQKHBXYZKJ-UTUOFQBUSA-N 2 0 284.404 -0.171 20 0 CBADRP C[NH+](C)CC1(C(=O)NC2CCN(CC(N)=O)CC2)CC1 ZINC001228888600 825323129 /nfs/dbraw/zinc/32/31/29/825323129.db2.gz JARNPWWKNLRSES-UHFFFAOYSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001229504653 825332459 /nfs/dbraw/zinc/33/24/59/825332459.db2.gz XQDHZJVDDSCEOM-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001229860178 825338356 /nfs/dbraw/zinc/33/83/56/825338356.db2.gz NLZKZFINQRVVSM-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP C(c1nc2c(s1)C[NH2+]CC2)N1CCNC[C@]12CC[NH2+]C2 ZINC001234986725 825480243 /nfs/dbraw/zinc/48/02/43/825480243.db2.gz CAAXRGCUXVGJCM-CQSZACIVSA-N 2 0 293.440 -0.074 20 0 CBADRP C(CN1CCN[C@]2(CC[NH2+]C2)C1)[C@H]1C[NH2+]CCO1 ZINC001235054206 825484889 /nfs/dbraw/zinc/48/48/89/825484889.db2.gz VEGOULSFCXMUOO-STQMWFEESA-N 2 0 254.378 -0.998 20 0 CBADRP [NH3+]CCCCN1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001235143809 825487736 /nfs/dbraw/zinc/48/77/36/825487736.db2.gz MTNJAKXEJDDCGV-UHFFFAOYSA-N 2 0 264.377 -0.089 20 0 CBADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](C[C@@H](C)[NH3+])C2 ZINC001235337418 825494876 /nfs/dbraw/zinc/49/48/76/825494876.db2.gz MEUAEXQEYREEHG-DIACKHNESA-N 3 0 267.373 -0.336 20 0 CBADRP [NH3+]CCCC[N@@H+]1CC[C@H]2O[C@@H](C(=O)N3CCOCC3)C[C@H]21 ZINC001235546030 825503478 /nfs/dbraw/zinc/50/34/78/825503478.db2.gz GKALGRGXZKAWOQ-MGPQQGTHSA-N 2 0 297.399 -0.184 20 0 CBADRP CC(=O)NCc1nnn2c1C[N@H+](CCCC[NH3+])CCC2 ZINC001235574342 825504242 /nfs/dbraw/zinc/50/42/42/825504242.db2.gz AVGFWCZKWDCRDY-UHFFFAOYSA-N 2 0 280.376 -0.141 20 0 CBADRP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(CC[NH3+])CC[C@@H]21 ZINC001235596824 825506023 /nfs/dbraw/zinc/50/60/23/825506023.db2.gz LJEDUVUVICOFKA-AGIUHOORSA-N 2 0 264.377 -0.369 20 0 CBADRP C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1CC[NH3+] ZINC001235616335 825506588 /nfs/dbraw/zinc/50/65/88/825506588.db2.gz UZUWWNZRPVHNSA-ZDUSSCGKSA-N 2 0 292.431 -0.034 20 0 CBADRP [NH3+]CCCC[N@@H+]1C[C@H]2C[C@@H](C(=O)N3CCOCC3)[C@@H](C1)O2 ZINC001235634198 825508870 /nfs/dbraw/zinc/50/88/70/825508870.db2.gz BMXXSABVDNOKFC-MGPQQGTHSA-N 2 0 297.399 -0.327 20 0 CBADRP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC[C@@H](C[NH3+])C3)[C@@H](O)[C@@H]2O1 ZINC001235751427 825513284 /nfs/dbraw/zinc/51/32/84/825513284.db2.gz YTOGDMXHSWSHAR-SVNGYHJRSA-N 2 0 272.345 -0.496 20 0 CBADRP Cc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cn1 ZINC001235869717 825515379 /nfs/dbraw/zinc/51/53/79/825515379.db2.gz DFXSBHGTOJMDMQ-UHFFFAOYSA-N 2 0 277.416 -0.026 20 0 CBADRP Cc1ncccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235868224 825515463 /nfs/dbraw/zinc/51/54/63/825515463.db2.gz BVGWWPMVZVMXRQ-UHFFFAOYSA-N 2 0 277.416 -0.026 20 0 CBADRP CCc1nccc(CN2CC[NH2+]CCNCC[NH2+]CC2)n1 ZINC001235868442 825515871 /nfs/dbraw/zinc/51/58/71/825515871.db2.gz DSNQRQYGELQQDT-UHFFFAOYSA-N 2 0 292.431 -0.377 20 0 CBADRP C[NH+]1CCC(CCN2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001235869040 825515891 /nfs/dbraw/zinc/51/58/91/825515891.db2.gz IPSNMSCSTYWFRA-UHFFFAOYSA-N 3 0 297.491 -0.197 20 0 CBADRP Cc1ncc(CN2CC[NH2+]CCNCC[NH2+]CC2)cn1 ZINC001235871645 825516320 /nfs/dbraw/zinc/51/63/20/825516320.db2.gz VSFACFKTSYFBMU-UHFFFAOYSA-N 2 0 278.404 -0.631 20 0 CBADRP Cc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)n(C)n1 ZINC001235871619 825516457 /nfs/dbraw/zinc/51/64/57/825516457.db2.gz VKJYKIFYQICJOL-UHFFFAOYSA-N 2 0 280.420 -0.687 20 0 CBADRP Nc1cccnc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871445 825516783 /nfs/dbraw/zinc/51/67/83/825516783.db2.gz RPFSMXLMLFMNPB-UHFFFAOYSA-N 2 0 278.404 -0.752 20 0 CBADRP OCc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)o1 ZINC001235871250 825516861 /nfs/dbraw/zinc/51/68/61/825516861.db2.gz RENDGOIHHDELKY-UHFFFAOYSA-N 2 0 282.388 -0.644 20 0 CBADRP COc1cnccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871535 825516953 /nfs/dbraw/zinc/51/69/53/825516953.db2.gz UXUGKYDXCDHKLE-UHFFFAOYSA-N 2 0 293.415 -0.325 20 0 CBADRP Cc1cccc(CN2CC[NH2+]CCNCC[NH2+]CC2)n1 ZINC001235870132 825517190 /nfs/dbraw/zinc/51/71/90/825517190.db2.gz NZMIQOAEQXUIPS-UHFFFAOYSA-N 2 0 277.416 -0.026 20 0 CBADRP [NH3+]CCN(CC[NH3+])Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001235877559 825517786 /nfs/dbraw/zinc/51/77/86/825517786.db2.gz QWLZEMQFLWLOFY-UHFFFAOYSA-N 3 0 291.443 -0.189 20 0 CBADRP Cc1cnc(CN2CC[NH2+]CCNCC[NH2+]CC2)nc1 ZINC001235874274 825517905 /nfs/dbraw/zinc/51/79/05/825517905.db2.gz OSBPVGLQKIQEKO-UHFFFAOYSA-N 2 0 278.404 -0.631 20 0 CBADRP C[C@H]1CNCC(F)(F)[C@H]1CN(CC[NH3+])CC[NH3+] ZINC001235876654 825518123 /nfs/dbraw/zinc/51/81/23/825518123.db2.gz HCVWYFNCQDHKAC-UWVGGRQHSA-N 2 0 250.337 -0.303 20 0 CBADRP Nc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1F ZINC001235872911 825518708 /nfs/dbraw/zinc/51/87/08/825518708.db2.gz BGOYLILWLAQJON-UHFFFAOYSA-N 2 0 295.406 -0.008 20 0 CBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3cnn[nH]3)C[C@H]1C2 ZINC001236022722 825519302 /nfs/dbraw/zinc/51/93/02/825519302.db2.gz MVNLYZTXJCHZBI-LEKOTGGOSA-N 2 0 291.355 -0.365 20 0 CBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](CC3C[NH2+]C3)C[C@H]1C2 ZINC001236020322 825519361 /nfs/dbraw/zinc/51/93/61/825519361.db2.gz GBAPEYCSTFFUPP-COMQUAJESA-N 3 0 279.384 -0.464 20 0 CBADRP CCOC(=O)[C@]12CN(Cc3c[nH+]c(N)[nH]3)C[C@H]1C[NH2+]CC2 ZINC001236041578 825520829 /nfs/dbraw/zinc/52/08/29/825520829.db2.gz ISFBKERHQVISNF-QMTHXVAHSA-N 2 0 293.371 -0.034 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1CCC12CC([NH3+])(C1)C2 ZINC001236051740 825521758 /nfs/dbraw/zinc/52/17/58/825521758.db2.gz YHBMUSCGEMGREY-PKSQDBQZSA-N 2 0 253.346 -0.295 20 0 CBADRP CC1(C)[NH2+]C[C@@H](CN2CC(N3CC[NH2+]CC3)C2)O1 ZINC001236161224 825523401 /nfs/dbraw/zinc/52/34/01/825523401.db2.gz YNWXKCBUHSLMOF-LBPRGKRZSA-N 2 0 254.378 -0.700 20 0 CBADRP C[N@H+](CCCC[NH3+])C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001236143174 825523552 /nfs/dbraw/zinc/52/35/52/825523552.db2.gz SSBIHPSQAISDGU-USZNOCQGSA-N 2 0 274.361 -0.106 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1CC[C@@H]1CCC[NH2+]C1 ZINC001236196514 825523874 /nfs/dbraw/zinc/52/38/74/825523874.db2.gz JVVHVCFNFZBRCR-SRVKXCTJSA-N 2 0 255.362 -0.049 20 0 CBADRP COC(=O)[C@@H]1C[N@H+](CC2(C)CC[NH2+]CC2)C[C@H]1N ZINC001236340004 825526772 /nfs/dbraw/zinc/52/67/72/825526772.db2.gz GWULVILKTCXGEO-GHMZBOCLSA-N 2 0 255.362 -0.192 20 0 CBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@@H]1CCCC[NH2+]1 ZINC001236307305 825526824 /nfs/dbraw/zinc/52/68/24/825526824.db2.gz AIQNXKBEHCEYLA-ZDUSSCGKSA-N 3 0 285.436 -0.756 20 0 CBADRP Nc1cccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001236310839 825527351 /nfs/dbraw/zinc/52/73/51/825527351.db2.gz AHUJCMLYMPACOV-UHFFFAOYSA-N 2 0 293.415 -0.115 20 0 CBADRP COC(=O)[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]1N ZINC001236344762 825527837 /nfs/dbraw/zinc/52/78/37/825527837.db2.gz SJXMCQMFHLXXBJ-UTUOFQBUSA-N 2 0 255.362 -0.192 20 0 CBADRP COC(=O)[C@@H]1CN(Cc2ccc3n2CC[NH2+]C3)C[C@H]1[NH3+] ZINC001236344384 825528211 /nfs/dbraw/zinc/52/82/11/825528211.db2.gz BRXGVPBIWADWMK-CHWSQXEVSA-N 2 0 278.356 -0.477 20 0 CBADRP COC(=O)[C@H]1CN(C[C@H]([NH3+])Cc2ccccc2)C[C@@H]1[NH3+] ZINC001236345854 825528800 /nfs/dbraw/zinc/52/88/00/825528800.db2.gz VMIMQSBQOQRBPF-RDBSUJKOSA-N 2 0 277.368 -0.012 20 0 CBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(CCCC[NH3+])CC2 ZINC001237066162 825534001 /nfs/dbraw/zinc/53/40/01/825534001.db2.gz XLOZEZVQRNDZGQ-DGCLKSJQSA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH+](C)CCN1CCN(Cc2c[nH]ccc2=O)CCC1=O ZINC001237848725 825543841 /nfs/dbraw/zinc/54/38/41/825543841.db2.gz QDMJFEPENPPXCK-UHFFFAOYSA-N 2 0 292.383 -0.029 20 0 CBADRP C[C@@H]1CC[C@@H](CNS(=O)(=O)[C@@H]2CC[NH2+]C2)C[NH2+]1 ZINC001238069225 825546648 /nfs/dbraw/zinc/54/66/48/825546648.db2.gz XEPPJQQRPMHAOD-GMTAPVOTSA-N 2 0 261.391 -0.344 20 0 CBADRP CC1(CNS(=O)(=O)CC2CC[NH2+]CC2)C[NH2+]C1 ZINC001238123533 825546981 /nfs/dbraw/zinc/54/69/81/825546981.db2.gz PEDZILVXXIOMFN-UHFFFAOYSA-N 2 0 261.391 -0.485 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001238074591 825547011 /nfs/dbraw/zinc/54/70/11/825547011.db2.gz KROSJGHKVUXRJO-SSDOTTSWSA-N 2 0 257.306 -0.891 20 0 CBADRP C[C@@H]1CC[C@@H](CNS(=O)(=O)[C@@H]2CC[NH2+]C2)[NH2+]C1 ZINC001238141944 825547190 /nfs/dbraw/zinc/54/71/90/825547190.db2.gz KOXZLCDHBMVLFQ-OUAUKWLOSA-N 2 0 261.391 -0.344 20 0 CBADRP [NH3+]CCS(=O)(=O)NC[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001238222593 825549411 /nfs/dbraw/zinc/54/94/11/825549411.db2.gz SOGYSPQVCFWJGP-JTQLQIEISA-N 2 0 277.390 -0.977 20 0 CBADRP [NH3+]CCS(=O)(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001238276725 825550677 /nfs/dbraw/zinc/55/06/77/825550677.db2.gz MWQMRBPOQDMYJE-NSHDSACASA-N 2 0 286.401 -0.524 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001238325682 825550908 /nfs/dbraw/zinc/55/09/08/825550908.db2.gz HXGOQSBYTZOFKF-ITGUQSILSA-N 2 0 287.429 -0.097 20 0 CBADRP [NH3+]CCS(=O)(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001238368501 825553388 /nfs/dbraw/zinc/55/33/88/825553388.db2.gz TVPGDYTUMSAAJM-UHFFFAOYSA-N 2 0 298.412 -0.073 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1C[NH2+]CC[C@@H]1F ZINC001238504304 825554118 /nfs/dbraw/zinc/55/41/18/825554118.db2.gz KXVFPLAUTPJRIC-RYUDHWBXSA-N 2 0 293.408 -0.147 20 0 CBADRP [NH3+]CCS(=O)(=O)NC1CCC2(CC[NH2+]C2)CC1 ZINC001238470617 825554160 /nfs/dbraw/zinc/55/41/60/825554160.db2.gz ZTCFAEYGAKVJNY-UHFFFAOYSA-N 2 0 261.391 -0.213 20 0 CBADRP [NH3+]CCS(=O)(=O)N[C@@H]1CCOC2(CC[NH2+]CC2)C1 ZINC001238545449 825555885 /nfs/dbraw/zinc/55/58/85/825555885.db2.gz USBSVTUGXLIOSJ-SNVBAGLBSA-N 2 0 277.390 -0.834 20 0 CBADRP C[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)[C@H]1C[NH2+]CCO1 ZINC001238626063 825557327 /nfs/dbraw/zinc/55/73/27/825557327.db2.gz QOBIYIKWBQGMNW-ZYHUDNBSSA-N 2 0 291.417 -0.718 20 0 CBADRP CC(C)(C)C[N@@H+]1CC[C@H](NS(=O)(=O)CC[NH3+])C1 ZINC001238807157 825565316 /nfs/dbraw/zinc/56/53/16/825565316.db2.gz DCMULCAUDYMQHO-JTQLQIEISA-N 2 0 263.407 -0.015 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1C[NH2+]CC[C@@H]1F ZINC001238895611 825569404 /nfs/dbraw/zinc/56/94/04/825569404.db2.gz KBRIPEGADYSKPE-WDEREUQCSA-N 2 0 279.381 -0.395 20 0 CBADRP [NH3+]C[C@@H](NS(=O)(=O)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC001238911484 825571456 /nfs/dbraw/zinc/57/14/56/825571456.db2.gz RAPDLEMRGNZDRP-NWDGAFQWSA-N 2 0 269.370 -0.032 20 0 CBADRP [NH3+][C@H]1CCCN(S(=O)(=O)C2CC[NH2+]CC2)CC1 ZINC001238929968 825572210 /nfs/dbraw/zinc/57/22/10/825572210.db2.gz HARCOKBWFILNQM-JTQLQIEISA-N 2 0 261.391 -0.119 20 0 CBADRP [NH3+][C@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)C[C@H]1F ZINC001238922495 825572477 /nfs/dbraw/zinc/57/24/77/825572477.db2.gz OPQQMQKZJJPRDJ-BDAKNGLRSA-N 2 0 251.327 -0.951 20 0 CBADRP [NH3+]CC[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CCO1 ZINC001238922714 825572976 /nfs/dbraw/zinc/57/29/76/825572976.db2.gz SNRTXZMSQSXZAG-GFCCVEGCSA-N 2 0 291.417 -0.635 20 0 CBADRP [NH3+]C[C@@H]1[C@H]2CN(S(=O)(=O)CC3CC[NH2+]CC3)C[C@H]21 ZINC001238924902 825572995 /nfs/dbraw/zinc/57/29/95/825572995.db2.gz CEXABVLLVCXQGQ-CNDDSTCGSA-N 2 0 273.402 -0.548 20 0 CBADRP CN(C[C@@H]1C[NH2+]CCO1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC001238938765 825574894 /nfs/dbraw/zinc/57/48/94/825574894.db2.gz PRUJIPXONYXQNJ-LBPRGKRZSA-N 2 0 291.417 -0.764 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001238949281 825575979 /nfs/dbraw/zinc/57/59/79/825575979.db2.gz SSHGBXAUZFRKNL-VIFPVBQESA-N 2 0 253.343 -0.572 20 0 CBADRP [NH3+][C@@H]1CCN(S(=O)(=O)[C@H]2CC[NH2+]C2)CC[C@H]1F ZINC001238962288 825576828 /nfs/dbraw/zinc/57/68/28/825576828.db2.gz GQZAAKKCJLKNQR-IVZWLZJFSA-N 2 0 265.354 -0.561 20 0 CBADRP [NH3+][C@@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)CC(F)(F)C1 ZINC001238963602 825578484 /nfs/dbraw/zinc/57/84/84/825578484.db2.gz VJQRZOPBYWJTBH-QMMMGPOBSA-N 2 0 283.344 -0.264 20 0 CBADRP [NH3+][C@H]1CCN(S(=O)(=O)C2CC[NH2+]CC2)CC[C@H]1F ZINC001238968047 825578503 /nfs/dbraw/zinc/57/85/03/825578503.db2.gz PRXUDTXTOITLMO-MNOVXSKESA-N 2 0 279.381 -0.171 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001238999736 825581700 /nfs/dbraw/zinc/58/17/00/825581700.db2.gz JPYPBKNGXNXWMW-LLVKDONJSA-N 2 0 261.391 -0.260 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCC12C[NH2+]C2 ZINC001239002492 825581989 /nfs/dbraw/zinc/58/19/89/825581989.db2.gz YRWILJWGWSXPDR-UHFFFAOYSA-N 2 0 259.375 -0.637 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCC2(CCCC[NH2+]2)CC1 ZINC001239001478 825581998 /nfs/dbraw/zinc/58/19/98/825581998.db2.gz SEROGUGBDBSHLC-UHFFFAOYSA-N 2 0 261.391 -0.117 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC2(C1)CC[NH2+]C2 ZINC001239005777 825582260 /nfs/dbraw/zinc/58/22/60/825582260.db2.gz QQIRSWMBGCTQTA-UHFFFAOYSA-N 2 0 273.402 -0.389 20 0 CBADRP [NH3+]CCS(=O)(=O)N1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001239007037 825582574 /nfs/dbraw/zinc/58/25/74/825582574.db2.gz ZZCYMIGIXQUPNZ-NSHDSACASA-N 2 0 261.391 -0.117 20 0 CBADRP [NH3+]CCS(=O)(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001239050407 825583950 /nfs/dbraw/zinc/58/39/50/825583950.db2.gz TUQHAGOUVGRNSN-QWHCGFSZSA-N 2 0 281.381 -0.154 20 0 CBADRP [NH3+]CCS(=O)(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001239073424 825585255 /nfs/dbraw/zinc/58/52/55/825585255.db2.gz MZEIUKSFQVVMCV-DTWKUNHWSA-N 2 0 265.354 -0.716 20 0 CBADRP Nc1ccc(S(=O)(=O)N(CC[NH3+])CC[NH3+])cc1 ZINC001239096808 825586302 /nfs/dbraw/zinc/58/63/02/825586302.db2.gz MFQGHEYCRVCYFP-UHFFFAOYSA-N 2 0 258.347 -0.823 20 0 CBADRP [NH3+][C@@]12CC[C@H]1CN(S(=O)(=O)C1CC[NH2+]CC1)C2 ZINC001239104476 825587519 /nfs/dbraw/zinc/58/75/19/825587519.db2.gz DAMHRVMYKFHPOH-GXSJLCMTSA-N 2 0 259.375 -0.509 20 0 CBADRP [NH3+][C@@H]1[C@@H]2CC[C@H]1CN(S(=O)(=O)CC1CC[NH2+]CC1)C2 ZINC001239101419 825587686 /nfs/dbraw/zinc/58/76/86/825587686.db2.gz NLKIACRKXULZLV-CLLJXQQHSA-N 2 0 287.429 -0.015 20 0 CBADRP [NH3+][C@@]12CC[C@@H]1CN(S(=O)(=O)C1CC[NH2+]CC1)C2 ZINC001239104478 825587737 /nfs/dbraw/zinc/58/77/37/825587737.db2.gz DAMHRVMYKFHPOH-MWLCHTKSSA-N 2 0 259.375 -0.509 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001239110381 825590021 /nfs/dbraw/zinc/59/00/21/825590021.db2.gz GFMZORWJCNHFDI-CMPLNLGQSA-N 2 0 275.418 -0.015 20 0 CBADRP O=S(=O)([C@@H]1CC[NH2+]C1)N1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001239184637 825596340 /nfs/dbraw/zinc/59/63/40/825596340.db2.gz UGSOUIIAYCMHGN-TUAOUCFPSA-N 2 0 273.402 -0.248 20 0 CBADRP COCNC(=S)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239363241 825600224 /nfs/dbraw/zinc/60/02/24/825600224.db2.gz LWXBYLMSGGQNAL-SNVBAGLBSA-N 2 0 272.418 -0.071 20 0 CBADRP [NH3+]C[C@H]1CN(C(=S)NCC[NH+]2CCCCC2)C[C@@H]1O ZINC001239413622 825604247 /nfs/dbraw/zinc/60/42/47/825604247.db2.gz IGRFANPYOAFZDF-RYUDHWBXSA-N 2 0 286.445 -0.402 20 0 CBADRP [NH3+]CCNC(=S)N1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001239423928 825604269 /nfs/dbraw/zinc/60/42/69/825604269.db2.gz JZJCLJFJHZPPLO-GFCCVEGCSA-N 2 0 271.434 -0.763 20 0 CBADRP c1nc(N2CC[NH2+]CC2)ncc1-c1cc2c(nn1)CC[NH2+]C2 ZINC001241895491 825609236 /nfs/dbraw/zinc/60/92/36/825609236.db2.gz BJWQZBHTCMBYRL-UHFFFAOYSA-N 2 0 297.366 -0.011 20 0 CBADRP C[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)CN2CCOCC2)C[NH2+]1 ZINC001245977507 825615968 /nfs/dbraw/zinc/61/59/68/825615968.db2.gz WQISJPNRWKGRQC-RDBSUJKOSA-N 2 0 271.405 -0.343 20 0 CBADRP OC1(C[NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)CC[NH2+]CC1 ZINC001245982257 825616375 /nfs/dbraw/zinc/61/63/75/825616375.db2.gz CSSXLANJEPBIMM-ZDUSSCGKSA-N 3 0 282.432 -0.435 20 0 CBADRP C[C@H]1CC[C@H](NC[C@H](O)CC2(O)CC[NH2+]CC2)C[NH2+]1 ZINC001245970904 825616383 /nfs/dbraw/zinc/61/63/83/825616383.db2.gz CKMCJRJETYGJGS-RWMBFGLXSA-N 2 0 271.405 -0.418 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+]C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001245989288 825617482 /nfs/dbraw/zinc/61/74/82/825617482.db2.gz FQTJFTUDRYRXDA-IHRRRGAJSA-N 3 0 285.432 -0.313 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H](O)CN2CCOCC2)C1 ZINC001245985398 825617509 /nfs/dbraw/zinc/61/75/09/825617509.db2.gz RRLMBQMBWPCNIM-UPJWGTAASA-N 2 0 257.378 -0.461 20 0 CBADRP O[C@@]1(CNC2CN(C3CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC001245989003 825617648 /nfs/dbraw/zinc/61/76/48/825617648.db2.gz KEYVMOMFEFGSCI-AWEZNQCLSA-N 2 0 268.405 -0.873 20 0 CBADRP O[C@@]1(CNC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC[NH2+]C1 ZINC001245983410 825617683 /nfs/dbraw/zinc/61/76/83/825617683.db2.gz GGYQZAGRYXJEBQ-OCCSQVGLSA-N 3 0 268.405 -0.825 20 0 CBADRP O[C@@H](C[NH2+]C[C@@H]1CCC[NH2+]C1)CN1CCOCC1 ZINC001245983057 825617952 /nfs/dbraw/zinc/61/79/52/825617952.db2.gz RQCJGRMTJDBQBQ-OLZOCXBDSA-N 2 0 257.378 -0.731 20 0 CBADRP CC(C)(C)OC(=O)[C@@H](O)C[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001245985437 825618030 /nfs/dbraw/zinc/61/80/30/825618030.db2.gz BDSHUIOKNZRHBW-ZDUSSCGKSA-N 2 0 299.415 -0.285 20 0 CBADRP O[C@H](C[NH2+]C[C@H]1CCC[NH2+]C1)CN1CCOCC1 ZINC001245983058 825618479 /nfs/dbraw/zinc/61/84/79/825618479.db2.gz RQCJGRMTJDBQBQ-QWHCGFSZSA-N 2 0 257.378 -0.731 20 0 CBADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001245995285 825619102 /nfs/dbraw/zinc/61/91/02/825619102.db2.gz NKVRTIBJVHTUAK-YNEHKIRRSA-N 3 0 271.405 -0.289 20 0 CBADRP CCOC(=O)C[C@H](O)C[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246014091 825620778 /nfs/dbraw/zinc/62/07/78/825620778.db2.gz UURNJLPRHWEEOH-DCAQKATOSA-N 2 0 262.325 -0.162 20 0 CBADRP O[C@@H](CN[C@@H]1C[NH2+]CC[C@H]1F)CC1(O)CC[NH2+]CC1 ZINC001246013885 825620881 /nfs/dbraw/zinc/62/08/81/825620881.db2.gz IMMPTCRAEZSVBM-IJLUTSLNSA-N 2 0 275.368 -0.859 20 0 CBADRP O[C@H](C[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F)CN1CCOCC1 ZINC001246014001 825621055 /nfs/dbraw/zinc/62/10/55/825621055.db2.gz SOOJKZREHQVLSG-XQQFMLRXSA-N 2 0 275.368 -0.783 20 0 CBADRP CC(C)(C)OC(=O)[C@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246010122 825621279 /nfs/dbraw/zinc/62/12/79/825621279.db2.gz XLNCJCSIYIAASA-VHSXEESVSA-N 2 0 289.376 -0.739 20 0 CBADRP CCCCOC[C@@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246017847 825622426 /nfs/dbraw/zinc/62/24/26/825622426.db2.gz CYJBHVAFBUROBI-STQMWFEESA-N 2 0 289.420 -0.003 20 0 CBADRP [NH3+]C[C@H]1CN(C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@@H]1O ZINC001246020663 825622497 /nfs/dbraw/zinc/62/24/97/825622497.db2.gz JPWMQMZFTLIJOT-ZQDZILKHSA-N 2 0 279.384 -0.831 20 0 CBADRP C[C@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)C[C@H]1C[NH3+] ZINC001246018204 825622553 /nfs/dbraw/zinc/62/25/53/825622553.db2.gz VFYXTPOOHFVGKA-XQQFMLRXSA-N 2 0 257.378 -0.794 20 0 CBADRP CCOC[C@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246017627 825622890 /nfs/dbraw/zinc/62/28/90/825622890.db2.gz CAIGIQHROQJIJE-MNOVXSKESA-N 2 0 261.366 -0.783 20 0 CBADRP [NH3+]C[C@]1(O)CCC[N@H+](C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001246021021 825623940 /nfs/dbraw/zinc/62/39/40/825623940.db2.gz MRXMFBQDJJETKC-STQMWFEESA-N 3 0 257.378 -0.723 20 0 CBADRP [NH3+][C@@H]1CN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H]1O ZINC001246021178 825623987 /nfs/dbraw/zinc/62/39/87/825623987.db2.gz MXRMIILATLSINF-OAGGEKHMSA-N 2 0 291.395 -0.373 20 0 CBADRP [NH3+][C@@H]1CN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H]1O ZINC001246021110 825624303 /nfs/dbraw/zinc/62/43/03/825624303.db2.gz MXRMIILATLSINF-BZUAXINKSA-N 2 0 291.395 -0.373 20 0 CBADRP CCCOC[C@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246022345 825624378 /nfs/dbraw/zinc/62/43/78/825624378.db2.gz XLMJACQUZIYXFO-NEPJUHHUSA-N 2 0 275.393 -0.393 20 0 CBADRP [NH3+]C[C@H]1C[N@H+](C[C@@H](O)COCc2ccccc2)C[C@H]1O ZINC001246021425 825624653 /nfs/dbraw/zinc/62/46/53/825624653.db2.gz MFUKMBBWRASWEL-RRFJBIMHSA-N 2 0 280.368 -0.185 20 0 CBADRP [NH3+]C[C@H]1C[N@H+](C[C@H](O)COCc2ccccc2)C[C@H]1O ZINC001246021426 825624708 /nfs/dbraw/zinc/62/47/08/825624708.db2.gz MFUKMBBWRASWEL-SOUVJXGZSA-N 2 0 280.368 -0.185 20 0 CBADRP C[C@]1([NH3+])CCC[N@H+](C[C@@H](O)CN2CCOCC2)CC1 ZINC001246021606 825624809 /nfs/dbraw/zinc/62/48/09/825624809.db2.gz ODDNPPDPZAMAHY-KGLIPLIRSA-N 2 0 271.405 -0.117 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN1CCCC[C@](O)(C[NH3+])C1 ZINC001246024879 825624853 /nfs/dbraw/zinc/62/48/53/825624853.db2.gz RLFQXWSTWKHUIU-KBPBESRZSA-N 2 0 273.421 -0.135 20 0 CBADRP O[C@H](CN1CC[C@H]2[NH2+]CC[C@H]21)CC1(O)CC[NH2+]CC1 ZINC001246026481 825625885 /nfs/dbraw/zinc/62/58/85/825625885.db2.gz NPEOTFABBHVAGC-YNEHKIRRSA-N 2 0 269.389 -0.712 20 0 CBADRP C[C@@H]1CC[C@@H](C[NH3+])N(C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246026582 825626063 /nfs/dbraw/zinc/62/60/63/825626063.db2.gz WGHIUPKLJXDBMO-RDBSUJKOSA-N 2 0 285.432 -0.089 20 0 CBADRP O[C@]1(CN2CC[NH2+]C[C@]3(CCCCN3)C2)CCC[NH2+]C1 ZINC001246026737 825626790 /nfs/dbraw/zinc/62/67/90/825626790.db2.gz ITMKHFLUOSVELV-HUUCEWRRSA-N 2 0 282.432 -0.482 20 0 CBADRP CCCCOC[C@@H](O)CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246030469 825627202 /nfs/dbraw/zinc/62/72/02/825627202.db2.gz YKDVMPWEPWFQHR-UONOGXRCSA-N 2 0 271.405 -0.199 20 0 CBADRP O[C@@]1(CN2CC[NH2+]C[C@@]3(CCCCN3)C2)CC[NH2+]C1 ZINC001246030325 825627525 /nfs/dbraw/zinc/62/75/25/825627525.db2.gz RTANJPZJOYXTCU-KBPBESRZSA-N 2 0 268.405 -0.872 20 0 CBADRP CCCCOC[C@H](O)CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246030473 825627672 /nfs/dbraw/zinc/62/76/72/825627672.db2.gz YKDVMPWEPWFQHR-ZIAGYGMSSA-N 2 0 271.405 -0.199 20 0 CBADRP [NH3+][C@@]12C[C@@H]1CCN(C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246028751 825627957 /nfs/dbraw/zinc/62/79/57/825627957.db2.gz DAPJLSNKHGTCKH-OUCADQQQSA-N 2 0 269.389 -0.725 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN1C[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246052846 825630398 /nfs/dbraw/zinc/63/03/98/825630398.db2.gz PEJKFMDRVDRWFI-SRVKXCTJSA-N 2 0 273.377 -0.879 20 0 CBADRP COC(=O)[C@H]1CN(C[C@H](O)C[NH2+]C(C)(C)C)C[C@H]1[NH3+] ZINC001246052491 825630429 /nfs/dbraw/zinc/63/04/29/825630429.db2.gz MVYAMMOGXWSFQB-OUAUKWLOSA-N 2 0 273.377 -0.833 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1C[C@H](O)C[NH2+]C(C)(C)C ZINC001246064274 825631544 /nfs/dbraw/zinc/63/15/44/825631544.db2.gz LVMZIROLWBSHFG-MXWKQRLJSA-N 2 0 273.377 -0.690 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CC2CC[NH2+]CC2)CN1 ZINC001246073171 825632407 /nfs/dbraw/zinc/63/24/07/825632407.db2.gz QFZZKZHQFWKLEJ-RYUDHWBXSA-N 2 0 255.362 -0.131 20 0 CBADRP O=C1CCCN1CCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246066329 825632690 /nfs/dbraw/zinc/63/26/90/825632690.db2.gz PKQMKFFZSWRBNP-GFCCVEGCSA-N 2 0 266.389 -0.318 20 0 CBADRP O=C1C[C@@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246079923 825633602 /nfs/dbraw/zinc/63/36/02/825633602.db2.gz GBKJWLDFKQBPLA-WDEREUQCSA-N 2 0 252.362 -0.804 20 0 CBADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246089693 825634717 /nfs/dbraw/zinc/63/47/17/825634717.db2.gz RYHVRGVYQKGHBU-MNOVXSKESA-N 3 0 274.359 -0.085 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CCCC[NH2+]C2)CN1 ZINC001246095525 825634812 /nfs/dbraw/zinc/63/48/12/825634812.db2.gz ITXCBTQMYDQULH-DYEKYZERSA-N 2 0 285.388 -0.626 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCCCN2CC[NH2+]CC2)CN1 ZINC001246089646 825635105 /nfs/dbraw/zinc/63/51/05/825635105.db2.gz REAPFJWFGXGZGL-KBPBESRZSA-N 2 0 298.431 -0.445 20 0 CBADRP COC(=O)N1CCC([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)CC1 ZINC001246088143 825635263 /nfs/dbraw/zinc/63/52/63/825635263.db2.gz JXRKZLPIIPAFAB-WCQYABFASA-N 2 0 289.351 -0.131 20 0 CBADRP O=C([C@@H]1C[C@@H](N[C@@H]2CCCC[NH2+]C2)C[NH2+]1)N1CCSC1 ZINC001246092976 825635319 /nfs/dbraw/zinc/63/53/19/825635319.db2.gz UGROWNIRVUOBEM-UPJWGTAASA-N 2 0 298.456 -0.019 20 0 CBADRP O[C@]1(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCCC[NH2+]C1 ZINC001246114953 825635956 /nfs/dbraw/zinc/63/59/56/825635956.db2.gz XFRWOZIKLMFYNE-GXTWGEPZSA-N 3 0 268.405 -0.825 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[NH2+][C@H](C)C2)CN1 ZINC001246100285 825636483 /nfs/dbraw/zinc/63/64/83/825636483.db2.gz MMPCKPQOFFNRIW-KKOKHZNYSA-N 2 0 255.362 -0.132 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCCN2CC[NH+](C)CC2)CN1 ZINC001246103265 825636667 /nfs/dbraw/zinc/63/66/67/825636667.db2.gz XCNCXVJJGKCWBE-KBPBESRZSA-N 2 0 298.431 -0.493 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2C)CN1 ZINC001246112986 825636706 /nfs/dbraw/zinc/63/67/06/825636706.db2.gz WBQJNVSWCSYFJS-WYUUTHIRSA-N 2 0 255.362 -0.275 20 0 CBADRP O=C1NCCCC[C@@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246121352 825637148 /nfs/dbraw/zinc/63/71/48/825637148.db2.gz XMLDJPZMZIHDDU-MNOVXSKESA-N 2 0 252.362 -0.661 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C[C@@H]2C)CN1 ZINC001246116436 825637157 /nfs/dbraw/zinc/63/71/57/825637157.db2.gz FHJOKHFVICOHFV-YFKTTZPYSA-N 2 0 255.362 -0.132 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)O2)CN1 ZINC001246129172 825637244 /nfs/dbraw/zinc/63/72/44/825637244.db2.gz CPINJCUNMRPDHE-AVGNSLFASA-N 2 0 297.399 -0.219 20 0 CBADRP CC[C@]1(C(=O)OC)C[C@H]([NH2+]CCCN2CC[NH2+]CC2)CN1 ZINC001246116315 825637418 /nfs/dbraw/zinc/63/74/18/825637418.db2.gz YUBCFRBDIKRFCD-DZGCQCFKSA-N 2 0 298.431 -0.445 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C2CC3(C2)CC[NH2+]C3)CN1 ZINC001246127780 825637827 /nfs/dbraw/zinc/63/78/27/825637827.db2.gz QIBBRHHQHXYYQE-JJOYANBFSA-N 2 0 253.346 -0.378 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246128376 825637894 /nfs/dbraw/zinc/63/78/94/825637894.db2.gz BZBDXJHZZSSIJZ-ZIAGYGMSSA-N 3 0 294.443 -0.029 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001246132529 825638790 /nfs/dbraw/zinc/63/87/90/825638790.db2.gz LYBFMRKUZQJJDX-VOAKCMCISA-N 3 0 266.389 -0.953 20 0 CBADRP CCOC(=O)C[C@@]1(N[C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001246133176 825638886 /nfs/dbraw/zinc/63/88/86/825638886.db2.gz UHHZKRVKHPBVEM-JSGCOSHPSA-N 2 0 296.415 -0.645 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+]C1C[C@@H]3COC[C@H](C1)N3)CCN2 ZINC001246133410 825638949 /nfs/dbraw/zinc/63/89/49/825638949.db2.gz JCKWTFTYZNLKSG-WODVXLOZSA-N 2 0 266.389 -0.811 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2COC3(C[NH2+]C3)C2)CN1 ZINC001246136018 825639013 /nfs/dbraw/zinc/63/90/13/825639013.db2.gz QXDUGHAFSZNAFR-TUAOUCFPSA-N 2 0 283.372 -0.752 20 0 CBADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1noc2c1C[NH2+]CC2 ZINC001246137308 825639097 /nfs/dbraw/zinc/63/90/97/825639097.db2.gz XZQKJSIEJBFPGX-SNVBAGLBSA-N 3 0 277.372 -0.496 20 0 CBADRP CC(C)[C@@H]1C[C@H](N[C@]23CC[NH2+][C@@H]2CC(=O)N3)CC[NH2+]1 ZINC001246142878 825639867 /nfs/dbraw/zinc/63/98/67/825639867.db2.gz HIXHEATVHDQYCM-CZXHOFHRSA-N 2 0 266.389 -0.069 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(NC2CCC3(CC2)C[NH2+]CCO3)N1 ZINC001246140765 825639871 /nfs/dbraw/zinc/63/98/71/825639871.db2.gz BRUWKCSKSHYDEI-SROGKVSYSA-N 2 0 294.399 -0.545 20 0 CBADRP C(C[C@H]1CCOC12C[NH2+]C2)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246140099 825639991 /nfs/dbraw/zinc/63/99/91/825639991.db2.gz YSOFGTIXTPGYTG-STQMWFEESA-N 3 0 280.416 -0.561 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CN1 ZINC001246142801 825640026 /nfs/dbraw/zinc/64/00/26/825640026.db2.gz PBCWCYASMMIISZ-PPCPHDFISA-N 2 0 283.372 -0.896 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@@]2(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)N1 ZINC001246143301 825640031 /nfs/dbraw/zinc/64/00/31/825640031.db2.gz HTARJGTUELLFFA-NVESWNNLSA-N 2 0 250.346 -0.563 20 0 CBADRP C([NH2+]C1CC[NH2+]CC1)[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001246141050 825640048 /nfs/dbraw/zinc/64/00/48/825640048.db2.gz CGMBBHJJVOLHQO-OCCSQVGLSA-N 3 0 269.389 -0.277 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CN1 ZINC001246142802 825640074 /nfs/dbraw/zinc/64/00/74/825640074.db2.gz PBCWCYASMMIISZ-VLJOUNFMSA-N 2 0 283.372 -0.896 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)CN1 ZINC001246142033 825640080 /nfs/dbraw/zinc/64/00/80/825640080.db2.gz GRKOIJBNPKBKAC-DGORSVRFSA-N 2 0 253.346 -0.523 20 0 CBADRP C[C@@H]1CC[C@@H](N[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)C[NH2+]1 ZINC001246140199 825640170 /nfs/dbraw/zinc/64/01/70/825640170.db2.gz GADBJAHQDMDYCM-GMTAPVOTSA-N 2 0 273.402 -0.754 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(NC2CC[NH+](C3CC3)CC2)N1 ZINC001246142294 825640251 /nfs/dbraw/zinc/64/02/51/825640251.db2.gz FKAWYTINWASKDZ-GXTWGEPZSA-N 2 0 264.373 -0.219 20 0 CBADRP O=C1C[C@H]2[NH2+]CC[C@]2(NC2CC[NH+](C3CC3)CC2)N1 ZINC001246142333 825640341 /nfs/dbraw/zinc/64/03/41/825640341.db2.gz FKAWYTINWASKDZ-OCCSQVGLSA-N 2 0 264.373 -0.219 20 0 CBADRP C(N[C@H]1CCC[NH2+]C1)c1nnc2n1CCC[NH2+]C2 ZINC001246138378 825640398 /nfs/dbraw/zinc/64/03/98/825640398.db2.gz ZJQPBWNJWHWJSO-JTQLQIEISA-N 2 0 250.350 -0.387 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246141045 825640527 /nfs/dbraw/zinc/64/05/27/825640527.db2.gz CGFKBMIGMFKNCZ-FHUSYTEZSA-N 2 0 267.373 -0.275 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001246143313 825640610 /nfs/dbraw/zinc/64/06/10/825640610.db2.gz HTQLTEQAIBDCJP-ZNMIVQPWSA-N 3 0 294.443 -0.171 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2[C@H]3C[NH2+]C[C@H]32)CN1 ZINC001246148601 825640912 /nfs/dbraw/zinc/64/09/12/825640912.db2.gz GGCBZBVKHJFCKO-KVSVUVNWSA-N 2 0 267.373 -0.275 20 0 CBADRP COC(=O)[C@H]1C[C@@H](NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CN1 ZINC001246145322 825640983 /nfs/dbraw/zinc/64/09/83/825640983.db2.gz MEDWIQIJWSWXFW-YNEHKIRRSA-N 2 0 296.415 -0.646 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]3[NH2+]CCO[C@H]32)CN1 ZINC001246148558 825641086 /nfs/dbraw/zinc/64/10/86/825641086.db2.gz FNURYYKDGRCDOR-WJTVCTBASA-N 2 0 283.372 -0.754 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]3[NH2+]CCO[C@@H]32)CN1 ZINC001246148555 825641140 /nfs/dbraw/zinc/64/11/40/825641140.db2.gz FNURYYKDGRCDOR-IEECTRCBSA-N 2 0 283.372 -0.754 20 0 CBADRP C([NH2+]C1C[C@@H]2COC[C@H](C1)N2)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246145962 825641182 /nfs/dbraw/zinc/64/11/82/825641182.db2.gz MVZBKVYNUGHYRZ-FFHGMXDLSA-N 2 0 294.443 -0.030 20 0 CBADRP COC(=O)[C@H]1C[C@H](NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CN1 ZINC001246145309 825641197 /nfs/dbraw/zinc/64/11/97/825641197.db2.gz MEDWIQIJWSWXFW-RWMBFGLXSA-N 2 0 296.415 -0.646 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H]3[NH2+]CCO[C@H]23)CN1 ZINC001246148001 825641474 /nfs/dbraw/zinc/64/14/74/825641474.db2.gz DDVWONNLPSIULW-HTVCTNPSSA-N 2 0 297.399 -0.363 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@H]1CC[C@@H]3C[NH2+]C[C@@H]31)CCN2 ZINC001246146916 825641477 /nfs/dbraw/zinc/64/14/77/825641477.db2.gz URHUMKHIZWAJPR-NDBYEHHHSA-N 3 0 250.390 -0.332 20 0 CBADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246148479 825641581 /nfs/dbraw/zinc/64/15/81/825641581.db2.gz SOXSEEMVWFKYBM-UONOGXRCSA-N 3 0 293.459 -0.456 20 0 CBADRP C[N@@H+]1CCC[C@H](N[C@]23CC[NH2+][C@@H]2CC(=O)N3)CC1 ZINC001246147907 825641626 /nfs/dbraw/zinc/64/16/26/825641626.db2.gz MJGCJUZCCJTXQN-LOWVWBTDSA-N 2 0 252.362 -0.362 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@H]3[NH2+]CCO[C@@H]32)CN1 ZINC001246148005 825641656 /nfs/dbraw/zinc/64/16/56/825641656.db2.gz DDVWONNLPSIULW-PDWCTOEPSA-N 2 0 297.399 -0.363 20 0 CBADRP C(C[C@@H]1[C@H]2C[NH2+]C[C@H]21)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246150075 825642111 /nfs/dbraw/zinc/64/21/11/825642111.db2.gz MCSCUZPSJHLVHP-ZDEQEGDKSA-N 3 0 250.390 -0.475 20 0 CBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(N[C@@H]2CSC3(C[NH2+]C3)C2)N1 ZINC001246152793 825642145 /nfs/dbraw/zinc/64/21/45/825642145.db2.gz QCLSLNHJJYHSPX-HOTUBEGUSA-N 2 0 268.386 -0.998 20 0 CBADRP C([NH2+][C@H]1CCOC2(C[NH2+]C2)C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246150571 825642214 /nfs/dbraw/zinc/64/22/14/825642214.db2.gz WLPTWXGIVWKKNV-UONOGXRCSA-N 3 0 294.443 -0.029 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@H]1CN3CCC1CC3)CCN2 ZINC001246151632 825642665 /nfs/dbraw/zinc/64/26/65/825642665.db2.gz KFOVGAXOMFOGCG-OLZOCXBDSA-N 2 0 250.390 -0.236 20 0 CBADRP COC(=O)C12CC([NH2+][C@H]3CCNC4(C[NH2+]C4)C3)(C1)C2 ZINC001246158113 825643146 /nfs/dbraw/zinc/64/31/46/825643146.db2.gz FAUMSZOTJZXVCA-JKDOVBDQSA-N 2 0 265.357 -0.234 20 0 CBADRP CC1(C)C[C@H](N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)CC[NH2+]1 ZINC001246155025 825643207 /nfs/dbraw/zinc/64/32/07/825643207.db2.gz WLBBIRDHHNDSKJ-GIPNMCIBSA-N 2 0 252.362 -0.315 20 0 CBADRP O=C([C@@H]1C[C@H](NC[C@H]2CCCC[NH2+]2)C[NH2+]1)N1CCSC1 ZINC001246172215 825644243 /nfs/dbraw/zinc/64/42/43/825644243.db2.gz ZWKPKSQNIHPPPT-AGIUHOORSA-N 2 0 298.456 -0.019 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH2+][C@@H]1COC3(C1)CC[NH2+]CC3)CCN2 ZINC001246168441 825644668 /nfs/dbraw/zinc/64/46/68/825644668.db2.gz DECJPYOUSNVPSZ-OLZOCXBDSA-N 3 0 280.416 -0.419 20 0 CBADRP C[C@@H]1CC[C@@H](NCCC[NH+](CCO)CCO)C[NH2+]1 ZINC001246162308 825644716 /nfs/dbraw/zinc/64/47/16/825644716.db2.gz ODDFGLANZFTXHB-CHWSQXEVSA-N 2 0 259.394 -0.607 20 0 CBADRP NC(=O)c1ccccc1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246178027 825645385 /nfs/dbraw/zinc/64/53/85/825645385.db2.gz FARAXMYZJVLDMK-LBPRGKRZSA-N 2 0 274.368 -0.031 20 0 CBADRP F[C@@]1(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCCNC1 ZINC001246180151 825645513 /nfs/dbraw/zinc/64/55/13/825645513.db2.gz PZQIJEBNDSWYIC-RYUDHWBXSA-N 2 0 256.369 -0.238 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C)C2)CN1 ZINC001246178438 825645810 /nfs/dbraw/zinc/64/58/10/825645810.db2.gz XFTLPNIUBCLAMB-SRVKXCTJSA-N 2 0 255.362 -0.179 20 0 CBADRP CC(C)[C@@](C)([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246183031 825646717 /nfs/dbraw/zinc/64/67/17/825646717.db2.gz DWOFXZZKIVOMEY-CMPLNLGQSA-N 2 0 254.378 -0.430 20 0 CBADRP O=C(CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)N1CCCC1 ZINC001246182078 825646732 /nfs/dbraw/zinc/64/67/32/825646732.db2.gz PQSMKCKGZOUPMY-LBPRGKRZSA-N 2 0 266.389 -0.318 20 0 CBADRP FC1(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246184429 825647402 /nfs/dbraw/zinc/64/74/02/825647402.db2.gz SEDMXAZUSICIJL-NSHDSACASA-N 3 0 256.369 -0.238 20 0 CBADRP COc1ncnc(OC)c1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246192698 825648017 /nfs/dbraw/zinc/64/80/17/825648017.db2.gz XOVICZUIRAQUSK-SNVBAGLBSA-N 2 0 293.371 -0.323 20 0 CBADRP COC(=O)[C@@H]1CC[C@H](N(C(N)=[NH2+])C2CC[NH2+]CC2)CN1 ZINC001246193557 825648124 /nfs/dbraw/zinc/64/81/24/825648124.db2.gz HCAFXUVKDJPVCH-QWRGUYRKSA-N 2 0 283.376 -0.773 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC23CC[NH2+]CC3)CN1 ZINC001246189987 825648238 /nfs/dbraw/zinc/64/82/38/825648238.db2.gz ZJSJYWFQCKEMSL-TUAOUCFPSA-N 2 0 267.373 -0.131 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CCN1 ZINC001246200139 825649505 /nfs/dbraw/zinc/64/95/05/825649505.db2.gz OQFGBGDNBBUSAJ-TUAOUCFPSA-N 2 0 255.362 -0.131 20 0 CBADRP CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246209257 825650987 /nfs/dbraw/zinc/65/09/87/825650987.db2.gz GPPAVALVBVBSPO-IJLUTSLNSA-N 2 0 255.362 -0.526 20 0 CBADRP CC[C@@]1(C(=O)OC)C[C@H](N[C@H]2C[NH2+]CC[C@H]2F)CN1 ZINC001246218450 825651868 /nfs/dbraw/zinc/65/18/68/825651868.db2.gz SYOLDLIJMIOLOS-NOHGZBONSA-N 2 0 273.352 -0.040 20 0 CBADRP O=S1(=O)CC[C@H]([NH2+]C2CN(C3CC[NH2+]CC3)C2)C1 ZINC001246215432 825651859 /nfs/dbraw/zinc/65/18/59/825651859.db2.gz PDCRMJWWWHYHSX-JTQLQIEISA-N 2 0 273.402 -0.801 20 0 CBADRP CO[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246217175 825652181 /nfs/dbraw/zinc/65/21/81/825652181.db2.gz FERHLAFLPDNKKI-QJPTWQEYSA-N 3 0 254.378 -0.953 20 0 CBADRP COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246215354 825652259 /nfs/dbraw/zinc/65/22/59/825652259.db2.gz SPIYJIXRQHAVNE-MXWKQRLJSA-N 2 0 285.392 -0.479 20 0 CBADRP CC(=O)N1CC[C@@H]([NH2+]C2CN(C3CC[NH2+]CC3)C2)C1 ZINC001246219477 825652353 /nfs/dbraw/zinc/65/23/53/825652353.db2.gz ZUQNKZDZPXWSNL-GFCCVEGCSA-N 2 0 266.389 -0.367 20 0 CBADRP FC1(F)CNC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246220560 825653082 /nfs/dbraw/zinc/65/30/82/825653082.db2.gz DPLSIQOKMVMICW-VHSXEESVSA-N 2 0 260.332 -0.333 20 0 CBADRP [NH2+]=C(N[C@H]1CCNC2(C[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC001246227308 825653540 /nfs/dbraw/zinc/65/35/40/825653540.db2.gz BUAYVQQCPVNSCO-NSHDSACASA-N 3 0 251.378 -0.353 20 0 CBADRP CC(C)[NH+]1CCN(CC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246236116 825654126 /nfs/dbraw/zinc/65/41/26/825654126.db2.gz JDQBNGASSRDONV-HNNXBMFYSA-N 3 0 295.475 -0.304 20 0 CBADRP CC(C)C[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246231109 825654532 /nfs/dbraw/zinc/65/45/32/825654532.db2.gz CEXKBHJCRNESRZ-MNOVXSKESA-N 2 0 254.378 -0.430 20 0 CBADRP COC(=O)[C@@H](CCCC[NH3+])N[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246239833 825655056 /nfs/dbraw/zinc/65/50/56/825655056.db2.gz KIXVWGXBWGQXOP-NWDGAFQWSA-N 2 0 284.404 -0.659 20 0 CBADRP CC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246240666 825655314 /nfs/dbraw/zinc/65/53/14/825655314.db2.gz SXDJYLYTALBFBW-KBPBESRZSA-N 2 0 280.416 -0.072 20 0 CBADRP Cc1nc(CC[NH3+])nn1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246245864 825655667 /nfs/dbraw/zinc/65/56/67/825655667.db2.gz UFTUYBKFEGBZBF-JTQLQIEISA-N 2 0 250.350 -0.646 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCN2CCC[N@H+](C)CC2)CN1 ZINC001246242496 825655941 /nfs/dbraw/zinc/65/59/41/825655941.db2.gz YCCYCBKIIUMWSA-STQMWFEESA-N 2 0 284.404 -0.883 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)CN1 ZINC001246248920 825656219 /nfs/dbraw/zinc/65/62/19/825656219.db2.gz PPXZPYHHKQJDNH-UPJWGTAASA-N 2 0 297.399 -0.362 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)CN1 ZINC001246255457 825656541 /nfs/dbraw/zinc/65/65/41/825656541.db2.gz KJPLNOGHJRCPIO-ZJQBRPOHSA-N 2 0 283.372 -0.609 20 0 CBADRP NC(=O)c1cccc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246257481 825656504 /nfs/dbraw/zinc/65/65/04/825656504.db2.gz XAMHADORFOYNJJ-ZDUSSCGKSA-N 2 0 274.368 -0.031 20 0 CBADRP [NH3+][C@@H](CO)Cc1cncn1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246251870 825656520 /nfs/dbraw/zinc/65/65/20/825656520.db2.gz UIOJKBRVYUTPPF-GHMZBOCLSA-N 2 0 265.361 -0.988 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)CN1 ZINC001246248917 825656565 /nfs/dbraw/zinc/65/65/65/825656565.db2.gz PPXZPYHHKQJDNH-AVGNSLFASA-N 2 0 297.399 -0.362 20 0 CBADRP CN1CCOC[C@H]1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246262640 825657603 /nfs/dbraw/zinc/65/76/03/825657603.db2.gz CYYBWSGJZGYFLR-VXGBXAGGSA-N 2 0 254.378 -0.999 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CC23CC[NH+](CC2)CC3)CN1 ZINC001246262898 825657876 /nfs/dbraw/zinc/65/78/76/825657876.db2.gz JEPFPGFVGDDYMB-NEPJUHHUSA-N 2 0 267.373 -0.035 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)CN1 ZINC001246279501 825658733 /nfs/dbraw/zinc/65/87/33/825658733.db2.gz LFZKFFKTPSQIHP-SRVKXCTJSA-N 2 0 255.362 -0.131 20 0 CBADRP c1cnc(N2CC([NH2+][C@H]3CCNC4(C[NH2+]C4)C3)C2)nc1 ZINC001246276422 825658866 /nfs/dbraw/zinc/65/88/66/825658866.db2.gz CUTCQNGJTFBBRR-NSHDSACASA-N 2 0 274.372 -0.651 20 0 CBADRP CC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246279293 825659194 /nfs/dbraw/zinc/65/91/94/825659194.db2.gz MLSGTDHPIPXFFP-NWDGAFQWSA-N 2 0 252.362 -0.709 20 0 CBADRP CCOC(=O)C1=C(N[C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001246284353 825659448 /nfs/dbraw/zinc/65/94/48/825659448.db2.gz MICZEQHINTYPTO-NSHDSACASA-N 2 0 294.399 -0.520 20 0 CBADRP C[C@@]1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCS(=O)(=O)C1 ZINC001246291399 825660828 /nfs/dbraw/zinc/66/08/28/825660828.db2.gz GSTACYAZTJFPAB-GHMZBOCLSA-N 2 0 273.402 -0.753 20 0 CBADRP C[C@@]1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCS(=O)(=O)C1 ZINC001246291402 825660947 /nfs/dbraw/zinc/66/09/47/825660947.db2.gz GSTACYAZTJFPAB-WDEREUQCSA-N 2 0 273.402 -0.753 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246300586 825661798 /nfs/dbraw/zinc/66/17/98/825661798.db2.gz SBGWDVZHZSQQOR-IRCOFANPSA-N 2 0 255.362 -0.132 20 0 CBADRP C(CN1CC2(COC2)C1)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246299172 825662571 /nfs/dbraw/zinc/66/25/71/825662571.db2.gz GITIAJFZEZNZNV-GFCCVEGCSA-N 2 0 266.389 -0.998 20 0 CBADRP CN(C)C(=O)N1CCC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246327916 825664108 /nfs/dbraw/zinc/66/41/08/825664108.db2.gz KDDYESRWFSEZGJ-STQMWFEESA-N 2 0 295.431 -0.184 20 0 CBADRP COC(=O)[C@@H]1C[C@H](Nc2nccnc2C[NH3+])CN1 ZINC001246333426 825665651 /nfs/dbraw/zinc/66/56/51/825665651.db2.gz QFCSMOKIDVYLSN-YUMQZZPRSA-N 2 0 251.290 -0.749 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CCN2CCS(=O)(=O)CC2)CC[NH2+]1 ZINC001246333282 825665688 /nfs/dbraw/zinc/66/56/88/825665688.db2.gz KSZLGWCCNSJQHD-RYUDHWBXSA-N 2 0 275.418 -0.553 20 0 CBADRP CCOC(=O)[C@H](C)C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246353226 825667586 /nfs/dbraw/zinc/66/75/86/825667586.db2.gz KEUALLDBAXPQBM-MNOVXSKESA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@H]1CC[C@@H](NCCN(CC[NH3+])N(O)N=O)C[NH2+]1 ZINC001246349984 825667593 /nfs/dbraw/zinc/66/75/93/825667593.db2.gz ISGMYMWXZVUCQZ-VHSXEESVSA-N 2 0 260.342 -0.735 20 0 CBADRP CCOC(=O)C1=C(N[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C[NH2+]C1 ZINC001246352883 825668054 /nfs/dbraw/zinc/66/80/54/825668054.db2.gz UPQWFYRKYFPKSL-JGPRNRPPSA-N 2 0 265.357 -0.006 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCO[C@H]2CC[NH2+]C2)CN1 ZINC001246366442 825669395 /nfs/dbraw/zinc/66/93/95/825669395.db2.gz IYSOZLSDFOTWQU-SRVKXCTJSA-N 2 0 271.361 -0.752 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+]C1CCN([C@H]3CC[NH2+]C3)CC1)CCN2 ZINC001246370736 825670235 /nfs/dbraw/zinc/67/02/35/825670235.db2.gz GQIXERGFDMFUBG-GJZGRUSLSA-N 3 0 293.459 -0.504 20 0 CBADRP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1C[C@@H]3COC[C@H](C1)N3)CCN2 ZINC001246389034 825670367 /nfs/dbraw/zinc/67/03/67/825670367.db2.gz JCKWTFTYZNLKSG-RVMXOQNASA-N 2 0 266.389 -0.811 20 0 CBADRP CNC(=O)[C@H](CCCC[NH2+]C1CC[NH2+]CC1)NC(C)=O ZINC001246403229 825670742 /nfs/dbraw/zinc/67/07/42/825670742.db2.gz BVXHDLUZJKHGSN-ZDUSSCGKSA-N 2 0 284.404 -0.251 20 0 CBADRP COC(=O)[C@H](CCC[NH3+])N[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246399940 825670826 /nfs/dbraw/zinc/67/08/26/825670826.db2.gz BYRSAYOAMQPACQ-UWVGGRQHSA-N 2 0 273.402 -0.296 20 0 CBADRP c1nnc(CC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)s1 ZINC001246387594 825670848 /nfs/dbraw/zinc/67/08/48/825670848.db2.gz CRQBLDOJBJFDLI-SECBINFHSA-N 2 0 253.375 -0.236 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+]C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246406885 825671458 /nfs/dbraw/zinc/67/14/58/825671458.db2.gz VQRNPWPEROPAJT-MBYGNEARSA-N 3 0 252.362 -0.382 20 0 CBADRP CC(=O)N1CC[C@@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)C1 ZINC001246412404 825671895 /nfs/dbraw/zinc/67/18/95/825671895.db2.gz CNQXRDDDWUTNSE-MNOVXSKESA-N 2 0 256.350 -0.820 20 0 CBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001246405419 825671944 /nfs/dbraw/zinc/67/19/44/825671944.db2.gz OTYFAYPNTFSICX-TUAOUCFPSA-N 2 0 295.391 -0.271 20 0 CBADRP CCOC(=O)N1CC[C@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)C1 ZINC001246416829 825672544 /nfs/dbraw/zinc/67/25/44/825672544.db2.gz MOWYEZWMOYPLNZ-QWRGUYRKSA-N 2 0 286.376 -0.210 20 0 CBADRP O[C@H](C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1ccncc1 ZINC001246464180 825674975 /nfs/dbraw/zinc/67/49/75/825674975.db2.gz GESJTRAUEZIZSR-QWHCGFSZSA-N 2 0 262.357 -0.201 20 0 CBADRP O=C(C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)NCC(F)(F)F ZINC001246462226 825675164 /nfs/dbraw/zinc/67/51/64/825675164.db2.gz GSUXJZPNODDNIC-MRVPVSSYSA-N 2 0 280.294 -0.652 20 0 CBADRP CC(C)(C)OC(=O)[C@@H](N)C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246481260 825676045 /nfs/dbraw/zinc/67/60/45/825676045.db2.gz GIGHRAJCJPKSMU-QWRGUYRKSA-N 2 0 284.404 -0.661 20 0 CBADRP CC(C)(C)OC(=O)[C@@H](N)C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246481258 825676148 /nfs/dbraw/zinc/67/61/48/825676148.db2.gz GIGHRAJCJPKSMU-MNOVXSKESA-N 2 0 284.404 -0.661 20 0 CBADRP F[C@H]1C[NH2+]CC[C@H]1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246477973 825676338 /nfs/dbraw/zinc/67/63/38/825676338.db2.gz RSPQDHSCLKPVBF-SRVKXCTJSA-N 3 0 256.369 -0.382 20 0 CBADRP COC(=O)[C@@H]1CC[C@@H](N2CC[NH+](CCCC[NH3+])CC2)CN1 ZINC001246479380 825676740 /nfs/dbraw/zinc/67/67/40/825676740.db2.gz UMCPHPRNQZVYIH-KGLIPLIRSA-N 2 0 298.431 -0.364 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])N[C@H]1CC[NH2+][C@H](C)C1 ZINC001246514098 825678175 /nfs/dbraw/zinc/67/81/75/825678175.db2.gz YZVMDALLBWVSHD-WOPDTQHZSA-N 2 0 256.394 -0.040 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCCN(C)C1 ZINC001246510079 825678516 /nfs/dbraw/zinc/67/85/16/825678516.db2.gz CARUWFWMAXQPPV-RYUDHWBXSA-N 2 0 256.394 -0.086 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246510056 825678792 /nfs/dbraw/zinc/67/87/92/825678792.db2.gz BWEQCJPUFPPJIH-RNJOBUHISA-N 3 0 268.405 -0.182 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H](C(C)C)C2C[NH2+]C2)CN1 ZINC001246513306 825678958 /nfs/dbraw/zinc/67/89/58/825678958.db2.gz CLYRBHIMMUHLHI-WOPDTQHZSA-N 2 0 255.362 -0.277 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])N[C@H]1CCCC[NH2+]C1 ZINC001246513974 825679132 /nfs/dbraw/zinc/67/91/32/825679132.db2.gz XMLHFKSNKPNBCK-RYUDHWBXSA-N 2 0 256.394 -0.038 20 0 CBADRP CNC(=O)[C@H](CCCC[NH3+])N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246514097 825679193 /nfs/dbraw/zinc/67/91/93/825679193.db2.gz YZVMDALLBWVSHD-UTUOFQBUSA-N 2 0 256.394 -0.040 20 0 CBADRP CCC(=O)N1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246523335 825679591 /nfs/dbraw/zinc/67/95/91/825679591.db2.gz FKVTWUUBBWOUKI-GFCCVEGCSA-N 2 0 266.389 -0.365 20 0 CBADRP CCC(=O)N1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246523337 825679614 /nfs/dbraw/zinc/67/96/14/825679614.db2.gz FKVTWUUBBWOUKI-LBPRGKRZSA-N 2 0 266.389 -0.365 20 0 CBADRP O=C([C@@H]1C[C@@H](N2CCC[NH2+]CC2)C[NH2+]1)N1CCSC1 ZINC001246526581 825680878 /nfs/dbraw/zinc/68/08/78/825680878.db2.gz ZNFKODUIDRGWDE-NEPJUHHUSA-N 2 0 284.429 -0.455 20 0 CBADRP C[C@]1([NH3+])CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C1 ZINC001246526339 825681072 /nfs/dbraw/zinc/68/10/72/825681072.db2.gz ASTAULIGYMPAHK-GVXVVHGQSA-N 2 0 284.429 -0.327 20 0 CBADRP [NH3+]C[C@@]1(O)CCC[N@@H+]([C@@H]2CCOC3(C[NH2+]C3)C2)CC1 ZINC001246540882 825682256 /nfs/dbraw/zinc/68/22/56/825682256.db2.gz FTBUVZRAOZVZSQ-CHWSQXEVSA-N 3 0 269.389 -0.317 20 0 CBADRP C1[NH2+]CC12C[C@H]([NH+]1CCN([C@H]3CCOC3)CC1)CCN2 ZINC001246537960 825682566 /nfs/dbraw/zinc/68/25/66/825682566.db2.gz LRUDXLLPZLEHSC-KGLIPLIRSA-N 2 0 280.416 -0.513 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH+]2CCC(C[NH3+])CC2)CCN1 ZINC001246538689 825682695 /nfs/dbraw/zinc/68/26/95/825682695.db2.gz PFUXBHQZUTWOIC-NEPJUHHUSA-N 2 0 255.362 -0.049 20 0 CBADRP c1cnc(N2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)cn1 ZINC001246538920 825682702 /nfs/dbraw/zinc/68/27/02/825682702.db2.gz OSZQRJZZRHOMHC-ZDUSSCGKSA-N 2 0 288.399 -0.307 20 0 CBADRP C[C@@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1C[NH3+] ZINC001246551956 825684879 /nfs/dbraw/zinc/68/48/79/825684879.db2.gz MVBAHGDNOZVYEP-FRRDWIJNSA-N 3 0 252.406 -0.003 20 0 CBADRP COC(=O)C1C[C@@H]2CC(N3CC[C@@H](O)[C@H]([NH3+])C3)C[C@H](C1)[NH2+]2 ZINC001246566651 825685836 /nfs/dbraw/zinc/68/58/36/825685836.db2.gz IJBULRRRWTUYLN-MRJDOLBNSA-N 2 0 297.399 -0.548 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)CCN1 ZINC001246562518 825685922 /nfs/dbraw/zinc/68/59/22/825685922.db2.gz STAFYXHHUWIFLU-DYEKYZERSA-N 2 0 285.388 -0.544 20 0 CBADRP [NH3+]C[C@]1(O)CCCC[N@@H+](C2C[C@@H]3COC[C@H](C2)N3)C1 ZINC001246558987 825686687 /nfs/dbraw/zinc/68/66/87/825686687.db2.gz MSASVPVIBUZAFJ-QNMSZWNNSA-N 2 0 269.389 -0.319 20 0 CBADRP C[C@@H]1CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@H]1[NH3+] ZINC001246567270 825688200 /nfs/dbraw/zinc/68/82/00/825688200.db2.gz MGXKTZILYGSAKD-KKOKHZNYSA-N 2 0 284.429 -0.471 20 0 CBADRP COC(=O)[C@@H]1CCC[C@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246579625 825688554 /nfs/dbraw/zinc/68/85/54/825688554.db2.gz FXGPQPKVVPCEOM-RHYQMDGZSA-N 2 0 256.346 -0.030 20 0 CBADRP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CO1 ZINC001246577998 825689152 /nfs/dbraw/zinc/68/91/52/825689152.db2.gz CXHJAUFOCWLSNP-QCNOEVLYSA-N 2 0 272.345 -0.652 20 0 CBADRP CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CO1 ZINC001246578857 825689231 /nfs/dbraw/zinc/68/92/31/825689231.db2.gz CXHJAUFOCWLSNP-WHOHXGKFSA-N 2 0 272.345 -0.652 20 0 CBADRP COCCC[NH+]1CCC(N2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246577661 825689395 /nfs/dbraw/zinc/68/93/95/825689395.db2.gz CHIKDQNQYKRIPC-GXTWGEPZSA-N 2 0 271.405 -0.261 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCC[C@H](n3ncnn3)C2)C[C@@H]1O ZINC001246585192 825690971 /nfs/dbraw/zinc/69/09/71/825690971.db2.gz OVOADNQPNRZOBA-BJDJZHNGSA-N 2 0 266.349 -0.592 20 0 CBADRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCC[C@H](n3ncnn3)C2)C[C@@H]1O ZINC001246585197 825691610 /nfs/dbraw/zinc/69/16/10/825691610.db2.gz OVOADNQPNRZOBA-USZNOCQGSA-N 2 0 266.349 -0.592 20 0 CBADRP COC(=O)N1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246596460 825692593 /nfs/dbraw/zinc/69/25/93/825692593.db2.gz QQLTXPVDTFVITM-GFCCVEGCSA-N 2 0 282.388 -0.146 20 0 CBADRP COC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(C[NH2+]C3)CC2)CN1 ZINC001246602609 825693653 /nfs/dbraw/zinc/69/36/53/825693653.db2.gz MVKIAWZXEHFXEO-RYUDHWBXSA-N 2 0 267.373 -0.035 20 0 CBADRP CCOC(=O)[C@H]1C[NH2+]CCN1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246599678 825693772 /nfs/dbraw/zinc/69/37/72/825693772.db2.gz DGTUOWMAKOPTCP-GRYCIOLGSA-N 2 0 255.362 -0.036 20 0 CBADRP COC(=O)[C@@H]1C[C@H](F)CN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246605899 825693951 /nfs/dbraw/zinc/69/39/51/825693951.db2.gz RTJYFYZTHQWZIP-AXFHLTTASA-N 2 0 271.336 -0.334 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1[C@H]1CCCC[NH2+]C1 ZINC001246598830 825694068 /nfs/dbraw/zinc/69/40/68/825694068.db2.gz ORBLNFIUXKUMSK-RYUDHWBXSA-N 2 0 255.362 -0.035 20 0 CBADRP C1[NH2+]CC12C[C@@H](N1CCO[C@]3(CCC[NH2+]C3)C1)CCN2 ZINC001246622757 825696681 /nfs/dbraw/zinc/69/66/81/825696681.db2.gz RVTQKUIJGSMYBR-ZFWWWQNUSA-N 2 0 280.416 -0.465 20 0 CBADRP C1C[C@H]2CC(N3CCO[C@]4(C3)C[NH2+]CCOC4)C[C@@H]1[NH2+]2 ZINC001246624157 825696779 /nfs/dbraw/zinc/69/67/79/825696779.db2.gz CJKGRLXGIAPDCR-IXXDHKBRSA-N 2 0 281.400 -0.040 20 0 CBADRP C1[NH2+]CC12CC[C@H](N1CCNC[C@]13CC[NH2+]C3)C2 ZINC001246624445 825696784 /nfs/dbraw/zinc/69/67/84/825696784.db2.gz NBENOWFBBVOTOF-GXTWGEPZSA-N 2 0 250.390 -0.234 20 0 CBADRP C1C[C@@]2(C[NH2+]1)CNCCN2[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246625191 825696937 /nfs/dbraw/zinc/69/69/37/825696937.db2.gz PQHKVKMLZRFEGH-XJFOESAGSA-N 2 0 250.390 -0.378 20 0 CBADRP O=C1NCC[C@@]12CN([C@H]1CCC[NH2+]C1)CC21C[NH2+]C1 ZINC001246630570 825697723 /nfs/dbraw/zinc/69/77/23/825697723.db2.gz SVDAWKTYWMLCRY-SMDDNHRTSA-N 2 0 264.373 -0.850 20 0 CBADRP O=C1CN([C@H]2CCC[NH2+]C2)CC2(CC[NH2+]CC2)N1 ZINC001246630559 825698382 /nfs/dbraw/zinc/69/83/82/825698382.db2.gz SQGQPWBIJGZUPJ-NSHDSACASA-N 2 0 252.362 -0.708 20 0 CBADRP C[C@@H]1C[C@H](N2CCO[C@@]3(C2)C[NH2+]CCOC3)CC[NH2+]1 ZINC001246626514 825698519 /nfs/dbraw/zinc/69/85/19/825698519.db2.gz GPXQDSGRKXTLSX-MGPQQGTHSA-N 2 0 269.389 -0.182 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@@]3(CC[NH2+]C3)C1)CCN2 ZINC001246629688 825698572 /nfs/dbraw/zinc/69/85/72/825698572.db2.gz HHPOZHQIEWBHLZ-CHWSQXEVSA-N 3 0 250.390 -0.234 20 0 CBADRP c1nnn([C@@H]2CCC[C@H]([N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)C2)n1 ZINC001246633336 825699298 /nfs/dbraw/zinc/69/92/98/825699298.db2.gz CIHLDIPHMMBSLS-BFHYXJOUSA-N 2 0 291.403 -0.206 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@@H]3NCCO[C@H]3C1)CCN2 ZINC001246635472 825699460 /nfs/dbraw/zinc/69/94/60/825699460.db2.gz VAEXEDVVZCHINR-AVGNSLFASA-N 2 0 266.389 -0.857 20 0 CBADRP C1C[C@]2(C[NH2+]1)CN([C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CCN2 ZINC001246638745 825699657 /nfs/dbraw/zinc/69/96/57/825699657.db2.gz CUORCBFVPVUYMV-DGAVXFQQSA-N 2 0 250.390 -0.093 20 0 CBADRP C1CC2(CC[NH2+]CC2)[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246643080 825700495 /nfs/dbraw/zinc/70/04/95/825700495.db2.gz QDZPKKZHSYDVGN-LBPRGKRZSA-N 3 0 250.390 -0.092 20 0 CBADRP C1[NH2+]CC12CC[C@H]([N@@H+]1CCN[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246641467 825700649 /nfs/dbraw/zinc/70/06/49/825700649.db2.gz IIWRWDBWRBYZEY-GXTWGEPZSA-N 3 0 250.390 -0.234 20 0 CBADRP C1CC2(CC[NH2+]CC2)[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246643078 825700708 /nfs/dbraw/zinc/70/07/08/825700708.db2.gz QDZPKKZHSYDVGN-GFCCVEGCSA-N 3 0 250.390 -0.092 20 0 CBADRP c1nc2n(n1)C1(CC[NH2+]CC1)CN([C@H]1CCC[NH2+]C1)C2 ZINC001246643921 825701460 /nfs/dbraw/zinc/70/14/60/825701460.db2.gz HZURAKCUTKNYFU-LBPRGKRZSA-N 2 0 276.388 -0.076 20 0 CBADRP C1C[C@@]2(C[NH2+]1)CN([C@@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CCN2 ZINC001246638748 825701493 /nfs/dbraw/zinc/70/14/93/825701493.db2.gz CUORCBFVPVUYMV-XJFOESAGSA-N 2 0 250.390 -0.093 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCN[C@]3(CC[NH2+]C3)C1)CS2 ZINC001246646098 825702412 /nfs/dbraw/zinc/70/24/12/825702412.db2.gz WKGWNFWTVMLSBR-RYUDHWBXSA-N 3 0 268.430 -0.529 20 0 CBADRP C[C@@H](CC(=O)N1CCOCC1)[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246646677 825702549 /nfs/dbraw/zinc/70/25/49/825702549.db2.gz XDABKEGCLFDMTL-ZFWWWQNUSA-N 2 0 296.415 -0.739 20 0 CBADRP C[C@@H](CC(=O)N1CCOCC1)[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246646667 825702658 /nfs/dbraw/zinc/70/26/58/825702658.db2.gz XDABKEGCLFDMTL-DZGCQCFKSA-N 2 0 296.415 -0.739 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CCO[C@H]3CC[NH2+]C[C@@H]31)CCN2 ZINC001246664066 825705300 /nfs/dbraw/zinc/70/53/00/825705300.db2.gz OLLNVYLPSHHXSF-AGIUHOORSA-N 2 0 266.389 -0.857 20 0 CBADRP O=C1NCC[C@]12CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246668825 825705502 /nfs/dbraw/zinc/70/55/02/825705502.db2.gz OPPYHGQGKGOOFB-WCQYABFASA-N 2 0 264.373 -0.708 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C1)O4)CCN2 ZINC001246685570 825706842 /nfs/dbraw/zinc/70/68/42/825706842.db2.gz PLPOIWLALLXOEJ-IXYNUQLISA-N 3 0 292.427 -0.467 20 0 CBADRP O=C1NCC[C@@]12CCC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246703016 825707629 /nfs/dbraw/zinc/70/76/29/825707629.db2.gz HHHMVAKESYIYOM-TZMCWYRMSA-N 2 0 278.400 -0.318 20 0 CBADRP O=C1NCC[C@]12CCC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246703014 825707641 /nfs/dbraw/zinc/70/76/41/825707641.db2.gz HHHMVAKESYIYOM-OCCSQVGLSA-N 2 0 278.400 -0.318 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CN1 ZINC001246701839 825708152 /nfs/dbraw/zinc/70/81/52/825708152.db2.gz NMVUQWZSKGIRKE-XQHKEYJVSA-N 2 0 267.373 -0.227 20 0 CBADRP C1[NH2+]CC12C[C@H](N1CC[N@@H+]3CCC[C@@H]3C1)CCN2 ZINC001246776644 825710663 /nfs/dbraw/zinc/71/06/63/825710663.db2.gz LMHTUGAGZHJXIF-CHWSQXEVSA-N 2 0 250.390 -0.140 20 0 CBADRP CC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246786840 825710874 /nfs/dbraw/zinc/71/08/74/825710874.db2.gz ARMRKOXZYYDGGD-STQMWFEESA-N 2 0 266.389 -0.319 20 0 CBADRP CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246786836 825710959 /nfs/dbraw/zinc/71/09/59/825710959.db2.gz ARMRKOXZYYDGGD-OLZOCXBDSA-N 2 0 266.389 -0.319 20 0 CBADRP C([C@@H]1CCCO1)N1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246778635 825710990 /nfs/dbraw/zinc/71/09/90/825710990.db2.gz WPTVDTJGYDYYJJ-CABCVRRESA-N 2 0 294.443 -0.123 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN([C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246797141 825711982 /nfs/dbraw/zinc/71/19/82/825711982.db2.gz MGCYZQLHTNFAAN-USZNOCQGSA-N 2 0 255.362 -0.051 20 0 CBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN([C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246797143 825712228 /nfs/dbraw/zinc/71/22/28/825712228.db2.gz MGCYZQLHTNFAAN-WHOHXGKFSA-N 2 0 255.362 -0.051 20 0 CBADRP CN1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246799192 825713112 /nfs/dbraw/zinc/71/31/12/825713112.db2.gz XALVQRBABQQOAX-LLVKDONJSA-N 2 0 252.362 -0.756 20 0 CBADRP CS(=O)(=O)[C@@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246803138 825713432 /nfs/dbraw/zinc/71/34/32/825713432.db2.gz MJIPSLYHAXDDTB-WDEREUQCSA-N 2 0 273.402 -0.801 20 0 CBADRP COC(=O)C[C@H]1C[NH2+]CCN1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246816508 825714687 /nfs/dbraw/zinc/71/46/87/825714687.db2.gz FQRYNUYVMOOSHH-WOPDTQHZSA-N 2 0 255.362 -0.036 20 0 CBADRP CC1(C)C[NH2+]CCN1[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246811455 825714724 /nfs/dbraw/zinc/71/47/24/825714724.db2.gz VPCNKPOAFCRPPT-NEPJUHHUSA-N 2 0 298.456 -0.066 20 0 CBADRP COC(=O)C1(N)CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246812858 825714913 /nfs/dbraw/zinc/71/49/13/825714913.db2.gz IVUNITNWTGDPAH-NSHDSACASA-N 2 0 282.388 -0.953 20 0 CBADRP C[NH2+]C1CCC([NH+]2CCNCC[NH2+]CCNCC2)CC1 ZINC001246821937 825716443 /nfs/dbraw/zinc/71/64/43/825716443.db2.gz PIQZNEDTTHZDRP-UHFFFAOYSA-N 3 0 283.464 -0.399 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246824541 825718187 /nfs/dbraw/zinc/71/81/87/825718187.db2.gz YUKMPPTXQBEDNN-AWEZNQCLSA-N 3 0 269.437 -0.835 20 0 CBADRP C[NH+](C)CCN1CCN([C@@H]2CCC[NH2+]C2)CCC1=O ZINC001246838990 825718537 /nfs/dbraw/zinc/71/85/37/825718537.db2.gz GRAVRIDNVUCKPC-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP CS(=O)(=O)N(C1C[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246828793 825719329 /nfs/dbraw/zinc/71/93/29/825719329.db2.gz GKGIQJPSVZFQEL-ULKQDVFKSA-N 2 0 259.375 -0.497 20 0 CBADRP O=C1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]2CCCN12 ZINC001246838585 825719412 /nfs/dbraw/zinc/71/94/12/825719412.db2.gz YMOLTIDMXCKVBM-RYUDHWBXSA-N 2 0 264.373 -0.613 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@H+]1C[C@H]3C[NH2+]CC[C@@H]3C1)CCN2 ZINC001246842151 825720066 /nfs/dbraw/zinc/72/00/66/825720066.db2.gz BIMBHONEKXFSSB-UPJWGTAASA-N 3 0 250.390 -0.378 20 0 CBADRP C1[NH2+]CC12C[C@@H](N(C1COC1)C1CC[NH2+]CC1)CCN2 ZINC001246842114 825720716 /nfs/dbraw/zinc/72/07/16/825720716.db2.gz AWECKNYEHUHYSD-ZDUSSCGKSA-N 2 0 280.416 -0.467 20 0 CBADRP CC1(C)CN(C2C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)CCO1 ZINC001246844978 825721100 /nfs/dbraw/zinc/72/11/00/825721100.db2.gz JVONSRBQNFBIKH-ZDUSSCGKSA-N 2 0 294.443 -0.125 20 0 CBADRP CCOC(=O)[C@]12CN([C@@H]3CC[NH2+]C3)C[C@H]1C[NH2+]CC2 ZINC001246858413 825722088 /nfs/dbraw/zinc/72/20/88/825722088.db2.gz KYGFVZDDKQIBRG-YRGRVCCFSA-N 2 0 267.373 -0.177 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246856515 825722645 /nfs/dbraw/zinc/72/26/45/825722645.db2.gz BPAPQXAHRSYTNR-QWRGUYRKSA-N 2 0 253.346 -0.425 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCN1[C@@H]1CCC[N@H+](C)CC1 ZINC001246858037 825722970 /nfs/dbraw/zinc/72/29/70/825722970.db2.gz ZJSVULDUBPAGQY-NEPJUHHUSA-N 2 0 255.362 -0.083 20 0 CBADRP [NH3+][C@]12CC[C@@H]1CN([C@H]1C[NH2+][C@H](C(=O)N3CCSC3)C1)C2 ZINC001246854596 825723140 /nfs/dbraw/zinc/72/31/40/825723140.db2.gz QHQXNKWAYZPKHT-NMKXLXIOSA-N 2 0 296.440 -0.327 20 0 CBADRP C[NH+](C)C[C@@H]1COCCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246864250 825723850 /nfs/dbraw/zinc/72/38/50/825723850.db2.gz SFQUJHFLBCOPSB-QWHCGFSZSA-N 2 0 268.405 -0.657 20 0 CBADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCOC3(CCOCC3)C1)CCN2 ZINC001246864649 825723914 /nfs/dbraw/zinc/72/39/14/825723914.db2.gz VFTMYIKSXOQPAX-ZDUSSCGKSA-N 2 0 281.400 -0.038 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCOC3(CCOCC3)C1)CCN2 ZINC001246864648 825724402 /nfs/dbraw/zinc/72/44/02/825724402.db2.gz VFTMYIKSXOQPAX-CYBMUJFWSA-N 2 0 281.400 -0.038 20 0 CBADRP CCOC(=O)C1(N)CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246867439 825725791 /nfs/dbraw/zinc/72/57/91/825725791.db2.gz IMZFPCWZFDLIMH-LBPRGKRZSA-N 2 0 296.415 -0.563 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H](C)N1[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246883883 825727285 /nfs/dbraw/zinc/72/72/85/825727285.db2.gz PUZIAFFZFVTGJU-NDBYEHHHSA-N 2 0 298.456 -0.068 20 0 CBADRP O=c1[nH]n([C@H]2CCNC3(C[NH2+]C3)C2)c2c1C[NH2+]CC2 ZINC001246889689 825727288 /nfs/dbraw/zinc/72/72/88/825727288.db2.gz YGRAQPIHYWDFCB-VIFPVBQESA-N 2 0 263.345 -0.499 20 0 CBADRP [NH3+]C1CN([C@@H]2CCC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246871653 825727562 /nfs/dbraw/zinc/72/75/62/825727562.db2.gz NNLMJYIIRMGKLO-UONOGXRCSA-N 3 0 279.432 -0.812 20 0 CBADRP CN1CC2(C1)CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246899174 825728419 /nfs/dbraw/zinc/72/84/19/825728419.db2.gz QBIJBGFDXDDZLR-LBPRGKRZSA-N 2 0 250.390 -0.282 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](N(C)C2(C)CC[NH2+]CC2)CN1 ZINC001246912723 825730408 /nfs/dbraw/zinc/73/04/08/825730408.db2.gz VILZKZNAPDYQRW-MNOVXSKESA-N 2 0 255.362 -0.036 20 0 CBADRP C[NH2+]C1CCC([N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246924330 825731423 /nfs/dbraw/zinc/73/14/23/825731423.db2.gz HWIZSLFWSOCDFP-UHFFFAOYSA-N 3 0 299.463 -0.367 20 0 CBADRP O=C([C@@H]1C[C@H](N2C[C@H]3C[NH2+]C[C@H]32)C[NH2+]1)N1CCSC1 ZINC001246923404 825732113 /nfs/dbraw/zinc/73/21/13/825732113.db2.gz YJQRCHPZPUTLCI-NOOOWODRSA-N 2 0 282.413 -0.847 20 0 CBADRP COCCN([C@@H]1CC[NH2+]C1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246928573 825732594 /nfs/dbraw/zinc/73/25/94/825732594.db2.gz LXBCDMQLWZBFRR-QWHCGFSZSA-N 2 0 268.405 -0.609 20 0 CBADRP COC(=O)[C@@H]1CN([C@@H]2CSC3(C[NH2+]C3)C2)C[C@@H]1[NH3+] ZINC001246930016 825732815 /nfs/dbraw/zinc/73/28/15/825732815.db2.gz JPOAQLYPDRJQSD-AEJSXWLSSA-N 2 0 271.386 -0.734 20 0 CBADRP CC[NH+]1CCC(N2C[C@@H]([NH3+])[C@@H](C(=O)OC)C2)CC1 ZINC001246929957 825733094 /nfs/dbraw/zinc/73/30/94/825733094.db2.gz IXGQMDGOXRIPJE-NWDGAFQWSA-N 2 0 255.362 -0.097 20 0 CBADRP COC(=O)[C@@H]1CN([C@@H]2CCC[N@H+](C)CC2)C[C@@H]1[NH3+] ZINC001246928886 825733168 /nfs/dbraw/zinc/73/31/68/825733168.db2.gz BFSSARMLGSAPFT-UTUOFQBUSA-N 2 0 255.362 -0.097 20 0 CBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246926068 825733185 /nfs/dbraw/zinc/73/31/85/825733185.db2.gz RQSOTUZTVUFGLO-PBWFPOADSA-N 3 0 295.431 -0.839 20 0 CBADRP COC(=O)[C@@H]1CN([C@@H]2CCC[N@H+](C)CC2)C[C@H]1[NH3+] ZINC001246928880 825733242 /nfs/dbraw/zinc/73/32/42/825733242.db2.gz BFSSARMLGSAPFT-IJLUTSLNSA-N 2 0 255.362 -0.097 20 0 CBADRP COC(=O)[C@@H]1CN([C@@H]2CC[NH2+]C(C)(C)C2)C[C@H]1[NH3+] ZINC001246932636 825734313 /nfs/dbraw/zinc/73/43/13/825734313.db2.gz QMIBLNRRUVVDBG-GMTAPVOTSA-N 2 0 255.362 -0.051 20 0 CBADRP C[NH2+]C1CCC([N@H+]2C[C@@H](C(=O)OC)[C@H](N)C2)CC1 ZINC001246935881 825734533 /nfs/dbraw/zinc/73/45/33/825734533.db2.gz ZHMQFUIRSRPODF-KIDURHIOSA-N 2 0 255.362 -0.051 20 0 CBADRP COC(=O)[C@@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1[NH3+] ZINC001246931812 825734745 /nfs/dbraw/zinc/73/47/45/825734745.db2.gz OGVXKPZKBPNTBT-IYKVGLELSA-N 2 0 253.346 -0.299 20 0 CBADRP C[C@H]1CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@H](C)[NH2+]1 ZINC001246943597 825735355 /nfs/dbraw/zinc/73/53/55/825735355.db2.gz MKADHEPHUSIKQL-RVMXOQNASA-N 2 0 298.456 -0.068 20 0 CBADRP COC(=O)C1(O)CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246946057 825735948 /nfs/dbraw/zinc/73/59/48/825735948.db2.gz FFPOLEUDXHUUSA-NSHDSACASA-N 2 0 283.372 -0.920 20 0 CBADRP C[NH+](C)CC(=O)N[C@@H]1CCCN([C@@H]2CCC[NH2+]C2)C1 ZINC001246954989 825736172 /nfs/dbraw/zinc/73/61/72/825736172.db2.gz OUJHQEVXTXQSIG-CHWSQXEVSA-N 2 0 268.405 -0.119 20 0 CBADRP C1CC1N([C@@H]1CC[NH2+]C1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246966614 825737520 /nfs/dbraw/zinc/73/75/20/825737520.db2.gz LBIJJKDRRLJKPG-QWHCGFSZSA-N 2 0 250.390 -0.093 20 0 CBADRP COC(=O)[C@@H]1C[C@@H](N2CC[C@H]([NH+]3CCC([NH3+])CC3)C2)CN1 ZINC001246977765 825737871 /nfs/dbraw/zinc/73/78/71/825737871.db2.gz QUXSWNLSRQEWPJ-MJBXVCDLSA-N 2 0 296.415 -0.613 20 0 CBADRP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@@]3(C1)CNCCO3)CCN2 ZINC001246990648 825739437 /nfs/dbraw/zinc/73/94/37/825739437.db2.gz XAYUKFGOTBRJQB-OCCSQVGLSA-N 2 0 266.389 -0.855 20 0 CBADRP COC(=O)[C@@]1(C)CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001247001852 825740412 /nfs/dbraw/zinc/74/04/12/825740412.db2.gz MBBOISBJLAMGQG-AAEUAGOBSA-N 2 0 267.373 -0.035 20 0 CBADRP COC(=O)[C@@]1(C)CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001247001859 825743148 /nfs/dbraw/zinc/74/31/48/825743148.db2.gz MBBOISBJLAMGQG-YPMHNXCESA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH+](C)CCNC(=S)N1CCOC[C@@H]1C[NH+](C)C ZINC001249836330 825749840 /nfs/dbraw/zinc/74/98/40/825749840.db2.gz LFSJCJRRTIVEIX-NSHDSACASA-N 2 0 274.434 -0.315 20 0 CBADRP O=C(CC[NH2+]C[C@H](O)C(F)(F)F)NCCc1c[nH]cn1 ZINC001250995708 825755201 /nfs/dbraw/zinc/75/52/01/825755201.db2.gz XQCPXTGZYRTXQC-VIFPVBQESA-N 2 0 294.277 -0.029 20 0 CBADRP C[NH+]1CCC2(C[NH+](C[C@H](O)CN3CCOCC3)C2)CC1 ZINC001251020073 825763663 /nfs/dbraw/zinc/76/36/63/825763663.db2.gz CNSADHKBGSKSIM-CQSZACIVSA-N 2 0 283.416 -0.293 20 0 CBADRP CC[NH+](CC)CCCN1CC[NH+](C[C@H](O)CO)CC1 ZINC001252060401 825823423 /nfs/dbraw/zinc/82/34/23/825823423.db2.gz QLBQEAJQLVHSPA-AWEZNQCLSA-N 2 0 273.421 -0.311 20 0 CBADRP CC(C)OC[C@H](O)C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001252676860 825881918 /nfs/dbraw/zinc/88/19/18/825881918.db2.gz ZBHUTARPGVGYNX-CQSZACIVSA-N 2 0 273.421 -0.049 20 0 CBADRP CC(C)OC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH]cn1 ZINC001252694396 825884993 /nfs/dbraw/zinc/88/49/93/825884993.db2.gz BSUQLWHIHGIGFQ-ZDUSSCGKSA-N 2 0 298.387 -0.166 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)CC1(O)CCOCC1 ZINC001252960816 825895701 /nfs/dbraw/zinc/89/57/01/825895701.db2.gz NBPDUCPGEMIKAO-UHFFFAOYSA-N 2 0 273.421 -0.047 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H]2CCNC(=O)[C@@H]2C1 ZINC001253188197 825902167 /nfs/dbraw/zinc/90/21/67/825902167.db2.gz RYUVYOBJWLNXIK-YNEHKIRRSA-N 2 0 269.389 -0.243 20 0 CBADRP CC[NH+](CC)C[C@H](O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC001253180718 825902447 /nfs/dbraw/zinc/90/24/47/825902447.db2.gz HYEYDEFOTBZADF-UONOGXRCSA-N 2 0 273.421 -0.049 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1CCN(C)C(=O)C1 ZINC001253202913 825904692 /nfs/dbraw/zinc/90/46/92/825904692.db2.gz CCXIWJOJESFVFF-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[NH+](CC)C[C@H](O)CNCC[N@@H+]1CCC[C@@H](O)C1 ZINC001253209681 825905013 /nfs/dbraw/zinc/90/50/13/825905013.db2.gz GYMVVTFFSLJUET-ZIAGYGMSSA-N 2 0 273.421 -0.265 20 0 CBADRP CC[NH+](CC)C[C@H](O)CNCCN1CCC[N@H+](C)CC1 ZINC001253207382 825905167 /nfs/dbraw/zinc/90/51/67/825905167.db2.gz GAKDUKJAUWGMLB-OAHLLOKOSA-N 2 0 286.464 -0.084 20 0 CBADRP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H]1CCCC(=O)NC1 ZINC001253208232 825905231 /nfs/dbraw/zinc/90/52/31/825905231.db2.gz OTHPDRVFVAQVOB-NEPJUHHUSA-N 2 0 257.378 -0.053 20 0 CBADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1CCCC(=O)NC1 ZINC001253208235 825905244 /nfs/dbraw/zinc/90/52/44/825905244.db2.gz OTHPDRVFVAQVOB-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP C[NH+]1CCN(CCNC[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253405559 825913389 /nfs/dbraw/zinc/91/33/89/825913389.db2.gz GMMNCFIVPUZHTL-ZDUSSCGKSA-N 2 0 272.437 -0.428 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H]1CCCC(=O)NC1 ZINC001253406865 825913404 /nfs/dbraw/zinc/91/34/04/825913404.db2.gz XIBRXBXKLARNQA-MNOVXSKESA-N 2 0 257.378 -0.006 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1(CO)CCOCC1 ZINC001253403850 825913541 /nfs/dbraw/zinc/91/35/41/825913541.db2.gz LDIUSONGWINTPV-LLVKDONJSA-N 2 0 260.378 -0.134 20 0 CBADRP CN1C[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)CCC1=O ZINC001253403280 825913888 /nfs/dbraw/zinc/91/38/88/825913888.db2.gz CFRPTVSLJTYKRA-MNOVXSKESA-N 2 0 257.378 -0.054 20 0 CBADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H](CO)[C@H]1CCOC1 ZINC001253409606 825914667 /nfs/dbraw/zinc/91/46/67/825914667.db2.gz XAJHMXVZFZBFBA-SRVKXCTJSA-N 2 0 260.378 -0.278 20 0 CBADRP C[NH+]1CCN(CC[NH2+]C[C@@H](O)COC(C)(C)C)CC1 ZINC001253466895 825916201 /nfs/dbraw/zinc/91/62/01/825916201.db2.gz GGKAARTUVAXMNS-CYBMUJFWSA-N 2 0 273.421 -0.001 20 0 CBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@H]2CCS(=O)(=O)C2)O1 ZINC001254320238 825950810 /nfs/dbraw/zinc/95/08/10/825950810.db2.gz NVVFGRLCOWKWBI-IRCOFANPSA-N 2 0 292.401 -0.512 20 0 CBADRP CC(=O)N1CCC([NH2+]CCN(CC[NH3+])N(O)N=O)CC1 ZINC001254419176 825962493 /nfs/dbraw/zinc/96/24/93/825962493.db2.gz OALYRQNYUAVOHB-UHFFFAOYSA-N 2 0 288.352 -0.865 20 0 CBADRP OCC[NH+](CCO)CCCN[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254836539 825969636 /nfs/dbraw/zinc/96/96/36/825969636.db2.gz MNLUZOLQZHXFJF-OAHLLOKOSA-N 2 0 285.432 -0.263 20 0 CBADRP C[NH+](C)CCN1CCN([C@H]2CC[N@H+](C)C2)CCC1=O ZINC001255439364 825983218 /nfs/dbraw/zinc/98/32/18/825983218.db2.gz SZJSYLYPSJXLOS-ZDUSSCGKSA-N 2 0 268.405 -0.214 20 0 CBADRP CN1CCC[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C1 ZINC001255475629 825986068 /nfs/dbraw/zinc/98/60/68/825986068.db2.gz SLYVZQTUWSISDF-JTQLQIEISA-N 2 0 260.342 -0.782 20 0 CBADRP CN1CCC([NH2+]CCN(CC[NH3+])N(O)N=O)CC1 ZINC001256198616 826003286 /nfs/dbraw/zinc/00/32/86/826003286.db2.gz PULOWBTYLRFFGQ-UHFFFAOYSA-N 2 0 260.342 -0.782 20 0 CBADRP CCOC(=O)N1CCC([NH2+]C[C@@H](C[NH3+])C(=O)OC)CC1 ZINC001256232044 826005027 /nfs/dbraw/zinc/00/50/27/826005027.db2.gz IBTYBEFXJUCPOB-SNVBAGLBSA-N 2 0 287.360 -0.055 20 0 CBADRP C[C@@H](CC(=O)N1CCOCC1)[NH2+]CCSCC[NH3+] ZINC001256330313 826013756 /nfs/dbraw/zinc/01/37/56/826013756.db2.gz NFNAIYMHQNZRKA-NSHDSACASA-N 2 0 275.418 -0.095 20 0 CBADRP C[C@H](CC(=O)N1CCOCC1)[NH2+]CCN1CC[NH+](C)CC1 ZINC001256319650 826007813 /nfs/dbraw/zinc/00/78/13/826007813.db2.gz YWVJLHOVXBTRTD-CQSZACIVSA-N 2 0 298.431 -0.539 20 0 CBADRP C[C@@H](CC(=O)N1CCOCC1)NC(=[NH2+])SCC[NH3+] ZINC001256321083 826008203 /nfs/dbraw/zinc/00/82/03/826008203.db2.gz CZWCCKSIGUZIBQ-VIFPVBQESA-N 2 0 274.390 -0.160 20 0 CBADRP C[C@@H](CC(=O)N1CCOCC1)[NH2+]CCC[N@H+](C)CCO ZINC001256333112 826013770 /nfs/dbraw/zinc/01/37/70/826013770.db2.gz ALYBUQVATYRGMN-ZDUSSCGKSA-N 2 0 287.404 -0.472 20 0 CBADRP [NH2+]=C(NCCCC[NH3+])NC1CCS(=O)(=O)CC1 ZINC001256377383 826018345 /nfs/dbraw/zinc/01/83/45/826018345.db2.gz VVSQCFDJVJKQSB-UHFFFAOYSA-N 2 0 262.379 -0.584 20 0 CBADRP [NH3+]CCSCC[NH2+]C1CCS(=O)(=O)CC1 ZINC001256380899 826019658 /nfs/dbraw/zinc/01/96/58/826019658.db2.gz ZIQVBXHNVCLJKA-UHFFFAOYSA-N 2 0 252.405 -0.155 20 0 CBADRP OCC(CO)[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256676243 826029657 /nfs/dbraw/zinc/02/96/57/826029657.db2.gz AIGVLLYXUOGZDQ-UHFFFAOYSA-N 2 0 258.362 -0.427 20 0 CBADRP OC1(C[NH2+]C2CCC([NH+]3CCOCC3)CC2)COC1 ZINC001256678038 826029775 /nfs/dbraw/zinc/02/97/75/826029775.db2.gz JYYDWMHAUHBVFO-UHFFFAOYSA-N 2 0 270.373 -0.019 20 0 CBADRP O[C@@H]1COC[C@H]1[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256676431 826030243 /nfs/dbraw/zinc/03/02/43/826030243.db2.gz CUHWXMIGNRHAQP-NWINJMCUSA-N 2 0 270.373 -0.021 20 0 CBADRP CC(C)[NH+]1CCC([NH2+][C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001257206256 826040526 /nfs/dbraw/zinc/04/05/26/826040526.db2.gz VYMAHYXNLFZYSF-ZRJCITRHSA-N 2 0 272.389 -0.449 20 0 CBADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C(C(N)=O)C(N)=O ZINC001258899121 826070303 /nfs/dbraw/zinc/07/03/03/826070303.db2.gz FSNCKCIDFBIFJX-VIFPVBQESA-N 2 0 258.366 -0.574 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)NCC[N@H+](C)CCOC ZINC001261376639 826508151 /nfs/dbraw/zinc/50/81/51/826508151.db2.gz UVRYHDRDPJXNGL-LLVKDONJSA-N 2 0 260.382 -0.138 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001261378615 826508607 /nfs/dbraw/zinc/50/86/07/826508607.db2.gz FDIAPIYXEWPEHH-UPJWGTAASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001261378544 826508975 /nfs/dbraw/zinc/50/89/75/826508975.db2.gz DBFDRDSMRAEUTJ-VWYCJHECSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@H](CO)CCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001261436966 826512707 /nfs/dbraw/zinc/51/27/07/826512707.db2.gz QDLDPCASKWEBOO-KBPBESRZSA-N 2 0 273.421 -0.407 20 0 CBADRP [NH3+]C1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001261490152 826523536 /nfs/dbraw/zinc/52/35/36/826523536.db2.gz MUTQIVQEYREMSW-NSHDSACASA-N 2 0 268.361 -0.806 20 0 CBADRP CC1(NC(=O)c2cn(CCC[NH3+])nn2)CC[NH2+]CC1 ZINC001261492960 826524343 /nfs/dbraw/zinc/52/43/43/826524343.db2.gz DAIGCKWAMQLELE-UHFFFAOYSA-N 2 0 266.349 -0.501 20 0 CBADRP [NH3+]C[C@H](NCC(=O)N1CC[NH2+]CC1)C1CCCCC1 ZINC001261492459 826524694 /nfs/dbraw/zinc/52/46/94/826524694.db2.gz FQAMTVRQTFFJPG-ZDUSSCGKSA-N 2 0 268.405 -0.085 20 0 CBADRP C[C@@H](CN1CCOCC1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001261492601 826524832 /nfs/dbraw/zinc/52/48/32/826524832.db2.gz LWMBXOWBKSTEEK-GJZGRUSLSA-N 2 0 282.432 -0.313 20 0 CBADRP C[C@]1(C(=O)N2CCC(O)(C[NH3+])CC2)CCC[NH2+]C1 ZINC001261495775 826525233 /nfs/dbraw/zinc/52/52/33/826525233.db2.gz TUJZWFBRWFRRKP-LBPRGKRZSA-N 2 0 255.362 -0.312 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001261495029 826525393 /nfs/dbraw/zinc/52/53/93/826525393.db2.gz OPZRGFOXCSIFLE-STQMWFEESA-N 2 0 266.389 -0.508 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC001261501679 826527385 /nfs/dbraw/zinc/52/73/85/826527385.db2.gz JRLFHPJZVRWYRL-ZDUSSCGKSA-N 2 0 268.405 -0.179 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC001261527185 826534050 /nfs/dbraw/zinc/53/40/50/826534050.db2.gz JAMYUXJMMLJHPB-GFCCVEGCSA-N 2 0 256.394 -0.134 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001261634101 826549163 /nfs/dbraw/zinc/54/91/63/826549163.db2.gz YIWXMPFWFPJWAB-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP O=C(c1cnnn1C1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC001261642814 826552754 /nfs/dbraw/zinc/55/27/54/826552754.db2.gz VYPZUDBOGHVPCF-UHFFFAOYSA-N 2 0 264.333 -0.752 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001261644508 826554194 /nfs/dbraw/zinc/55/41/94/826554194.db2.gz DBNBBYVGWHMRQX-TXEJJXNPSA-N 2 0 296.415 -0.170 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)nn1 ZINC001261644129 826554590 /nfs/dbraw/zinc/55/45/90/826554590.db2.gz PWPRNNSHZOZKMG-NXEZZACHSA-N 2 0 284.339 -0.472 20 0 CBADRP C[NH+]1CCC(CCO)(NC(=O)Cc2ncc[nH]2)CC1 ZINC001261736187 826567988 /nfs/dbraw/zinc/56/79/88/826567988.db2.gz CMPMUZUXFIGNCE-UHFFFAOYSA-N 2 0 266.345 -0.085 20 0 CBADRP C[NH2+][C@@H](C)CCNS(=O)(=O)CCC[NH+](C)C ZINC001261853529 826598450 /nfs/dbraw/zinc/59/84/50/826598450.db2.gz KKUBCRPNLIJACB-JTQLQIEISA-N 2 0 251.396 -0.145 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC[C@@H](O)C(F)F)CC1 ZINC001261891931 826604974 /nfs/dbraw/zinc/60/49/74/826604974.db2.gz UJPTYSMRAGJZQC-WDEREUQCSA-N 2 0 281.347 -0.800 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(O)(C[NH3+])CC2)C1 ZINC001262008711 826618009 /nfs/dbraw/zinc/61/80/09/826618009.db2.gz VYIINTPWWBORRO-LLVKDONJSA-N 2 0 255.362 -0.360 20 0 CBADRP C[NH2+]CCOCCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001262008967 826618125 /nfs/dbraw/zinc/61/81/25/826618125.db2.gz FYDAJYCVXFHSKS-NSHDSACASA-N 2 0 296.375 -0.832 20 0 CBADRP [NH3+]CCC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001262037531 826627431 /nfs/dbraw/zinc/62/74/31/826627431.db2.gz ZVSILRMUFVAQBD-UHFFFAOYSA-N 2 0 250.306 -0.827 20 0 CBADRP CC1(C)[C@H](NC(=O)[C@H]2C[NH2+]CCO2)[C@H]2CCC[NH2+][C@H]21 ZINC001262039114 826627699 /nfs/dbraw/zinc/62/76/99/826627699.db2.gz IAHNPGADXPFXFE-IRCOFANPSA-N 2 0 267.373 -0.132 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC001262067148 826630177 /nfs/dbraw/zinc/63/01/77/826630177.db2.gz UDIMYTVRVJJSDJ-FIQHERPVSA-N 2 0 294.399 -0.419 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001262065783 826630295 /nfs/dbraw/zinc/63/02/95/826630295.db2.gz JTCFHJICXSJSBO-SDDRHHMPSA-N 2 0 282.388 -0.594 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001262068804 826631080 /nfs/dbraw/zinc/63/10/80/826631080.db2.gz LPIQZDWOOPLOOG-XQQFMLRXSA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC001262096691 826635996 /nfs/dbraw/zinc/63/59/96/826635996.db2.gz DNCJJNKQHADHCX-MMWGEVLESA-N 2 0 256.350 -0.519 20 0 CBADRP CC(C)([NH3+])CCNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001262098975 826636250 /nfs/dbraw/zinc/63/62/50/826636250.db2.gz YGQTXOBURSZJMW-SNVBAGLBSA-N 2 0 258.366 -0.127 20 0 CBADRP CC(=O)N1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001262195142 826657204 /nfs/dbraw/zinc/65/72/04/826657204.db2.gz PMSGMVGRYRZDNF-ZDUSSCGKSA-N 2 0 267.373 -0.081 20 0 CBADRP C([C@@H]1CC2(C[NH2+]C2)CO1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001262195396 826657337 /nfs/dbraw/zinc/65/73/37/826657337.db2.gz ZFFXGEXMOJFHOG-KBPBESRZSA-N 3 0 280.416 -0.656 20 0 CBADRP CN1CC[C@@H]1CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001262499476 826695798 /nfs/dbraw/zinc/69/57/98/826695798.db2.gz LXTCQOMLDJKTKG-OLZOCXBDSA-N 2 0 294.399 -0.497 20 0 CBADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001262553699 826707935 /nfs/dbraw/zinc/70/79/35/826707935.db2.gz IIDOPDOEJMMHLV-XHVZSJERSA-N 2 0 255.362 -0.315 20 0 CBADRP CC[NH+]1CCN(CC[NH2+]C[C@@H](O)CC(C)(C)O)CC1 ZINC001262561697 826708436 /nfs/dbraw/zinc/70/84/36/826708436.db2.gz DZSOSFFVNQFQQR-ZDUSSCGKSA-N 2 0 273.421 -0.265 20 0 CBADRP COCC[NH2+]CCNC(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001262584920 826713787 /nfs/dbraw/zinc/71/37/87/826713787.db2.gz NXRISDOZYIKJLG-VXGBXAGGSA-N 2 0 272.393 -0.151 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001262602471 826716923 /nfs/dbraw/zinc/71/69/23/826716923.db2.gz BNLFOVWVXRXCPW-UHFFFAOYSA-N 2 0 270.377 -0.127 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001263061808 826731414 /nfs/dbraw/zinc/73/14/14/826731414.db2.gz BZPJKAQGEGNZNL-IJLUTSLNSA-N 2 0 252.362 -0.805 20 0 CBADRP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH2+]C[C@@H]1C ZINC001263061810 826731673 /nfs/dbraw/zinc/73/16/73/826731673.db2.gz BZPJKAQGEGNZNL-TUAOUCFPSA-N 2 0 252.362 -0.805 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC[C@H]1[NH3+] ZINC001263063468 826731728 /nfs/dbraw/zinc/73/17/28/826731728.db2.gz VYYOTDNMXJKYCE-LPWJVIDDSA-N 2 0 266.389 -0.430 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCc1ccccc1C[NH3+] ZINC001263062032 826731830 /nfs/dbraw/zinc/73/18/30/826731830.db2.gz IVPPDKPRBZHQKZ-ZWNOBZJWSA-N 2 0 265.357 -0.022 20 0 CBADRP CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001263062198 826732282 /nfs/dbraw/zinc/73/22/82/826732282.db2.gz NLOZMBNMQWRVPF-NEPJUHHUSA-N 2 0 254.378 -0.510 20 0 CBADRP C[NH+](C)CCCNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001263092187 826735015 /nfs/dbraw/zinc/73/50/15/826735015.db2.gz JXOHNKKWAAIJQS-CYBMUJFWSA-N 2 0 268.361 -0.047 20 0 CBADRP C[C@]1(C(=O)NCC[NH+]2CCCCC2)C[C@H](O)C[NH2+]1 ZINC001263094204 826735248 /nfs/dbraw/zinc/73/52/48/826735248.db2.gz ZEYMWCFMTLWLFF-WCQYABFASA-N 2 0 255.362 -0.299 20 0 CBADRP C[NH2+]C1(C(=O)N[C@H]2CC[N@H+](CCOC)C2)CCC1 ZINC001263100501 826736237 /nfs/dbraw/zinc/73/62/37/826736237.db2.gz PSRWNXSWLFSZRI-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)c2ccn(CCC[NH3+])n2)C1 ZINC001263096571 826736708 /nfs/dbraw/zinc/73/67/08/826736708.db2.gz VWEHZGBSWRZXRJ-LLVKDONJSA-N 2 0 265.361 -0.087 20 0 CBADRP C[C@@]1(C(=O)NCCCC[NH+]2CCOCC2)C[C@@H](O)C[NH2+]1 ZINC001263095129 826737168 /nfs/dbraw/zinc/73/71/68/826737168.db2.gz DLGKZWVONVFCAY-OCCSQVGLSA-N 2 0 285.388 -0.672 20 0 CBADRP COC[C@H]([NH3+])C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC001263104860 826737883 /nfs/dbraw/zinc/73/78/83/826737883.db2.gz WFWPPRNDJWXWGT-JTQLQIEISA-N 2 0 250.302 -0.361 20 0 CBADRP [NH3+]CCCn1ccc(C(=O)NCC2([NH3+])CCC2)n1 ZINC001263105081 826737929 /nfs/dbraw/zinc/73/79/29/826737929.db2.gz DTAOSHBOEWGARU-UHFFFAOYSA-N 2 0 251.334 -0.157 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001263103252 826738373 /nfs/dbraw/zinc/73/83/73/826738373.db2.gz UELMWRLHENTIAG-HIFRSBDPSA-N 2 0 298.431 -0.757 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[NH2+]1 ZINC001263107373 826739051 /nfs/dbraw/zinc/73/90/51/826739051.db2.gz VIYIOXWZOSJOSQ-WOPDTQHZSA-N 2 0 282.388 -0.560 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001263108744 826739295 /nfs/dbraw/zinc/73/92/95/826739295.db2.gz GCZDTBQKECAAMN-OUCADQQQSA-N 2 0 267.373 -0.299 20 0 CBADRP C[NH2+]CCCN(C)C(=O)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC001263129056 826742233 /nfs/dbraw/zinc/74/22/33/826742233.db2.gz ZPYIBJOBYFXGPX-LBPRGKRZSA-N 2 0 272.393 -0.456 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001263148592 826743708 /nfs/dbraw/zinc/74/37/08/826743708.db2.gz HEHVMPLYRVKFFG-JSGCOSHPSA-N 2 0 285.388 -0.674 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)C1 ZINC001263155870 826744725 /nfs/dbraw/zinc/74/47/25/826744725.db2.gz IEJOVRZMLNSISU-NHCYSSNCSA-N 2 0 269.345 -1.000 20 0 CBADRP C[C@@H](CC(=O)NCC1(O)C[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001263153414 826744937 /nfs/dbraw/zinc/74/49/37/826744937.db2.gz LWMNTIIEZJLTNX-QWRGUYRKSA-N 2 0 255.362 -0.537 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001263156162 826745354 /nfs/dbraw/zinc/74/53/54/826745354.db2.gz OBUATKDOHNDHHO-LPEHRKFASA-N 2 0 253.346 -0.393 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001263156479 826745389 /nfs/dbraw/zinc/74/53/89/826745389.db2.gz XSILBINLONKELB-DTWKUNHWSA-N 2 0 259.375 -0.686 20 0 CBADRP CSCC[C@H]([NH3+])C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001263156480 826745494 /nfs/dbraw/zinc/74/54/94/826745494.db2.gz XSILBINLONKELB-IUCAKERBSA-N 2 0 259.375 -0.686 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[C@H](O)C[NH2+]C)C1 ZINC001263160960 826746145 /nfs/dbraw/zinc/74/61/45/826746145.db2.gz SDPIWAMVIULLSX-SDDRHHMPSA-N 2 0 257.378 -0.197 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)c1cc2n(n1)CCC[C@H]2[NH3+] ZINC001263166590 826747328 /nfs/dbraw/zinc/74/73/28/826747328.db2.gz LRGFKOYINAIVMV-LLVKDONJSA-N 2 0 295.387 -0.015 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC001263163970 826747528 /nfs/dbraw/zinc/74/75/28/826747528.db2.gz HEFGGJWVRQQHKG-NOHGZBONSA-N 2 0 255.362 -0.457 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001263163971 826747934 /nfs/dbraw/zinc/74/79/34/826747934.db2.gz HEFGGJWVRQQHKG-SRRSOLGSSA-N 2 0 255.362 -0.457 20 0 CBADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001263169708 826748475 /nfs/dbraw/zinc/74/84/75/826748475.db2.gz WCOMSAYUJFKSSA-RYUDHWBXSA-N 2 0 269.389 -0.053 20 0 CBADRP CC(C)CC[C@H]([NH3+])C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001263174074 826749057 /nfs/dbraw/zinc/74/90/57/826749057.db2.gz QIWUNZWSHPCVLT-GXFFZTMASA-N 2 0 268.361 -0.255 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2C3CCC2(C[NH3+])CC3)C1=O ZINC001263172253 826749361 /nfs/dbraw/zinc/74/93/61/826749361.db2.gz ORFSVSBLPOUPJG-AVERBVTBSA-N 2 0 294.399 -0.334 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2C3CCC2(C[NH3+])CC3)C1=O ZINC001263172254 826749489 /nfs/dbraw/zinc/74/94/89/826749489.db2.gz ORFSVSBLPOUPJG-MQYJIDSJSA-N 2 0 294.399 -0.334 20 0 CBADRP C[N@@H+]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1(C)C ZINC001263181712 826750224 /nfs/dbraw/zinc/75/02/24/826750224.db2.gz UGFFDKPRFQONGU-LBPRGKRZSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC001263188178 826751532 /nfs/dbraw/zinc/75/15/32/826751532.db2.gz JLUDOELCZADVQI-BBBLOLIVSA-N 2 0 254.334 -0.548 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C[C@H]1CC[NH3+] ZINC001263190190 826752140 /nfs/dbraw/zinc/75/21/40/826752140.db2.gz XVARVWPBCZVSHJ-JHJVBQTASA-N 2 0 296.415 -0.373 20 0 CBADRP C[C@@]1(C(=O)N2CCNCC[NH2+]CC2)CCC[NH2+]C1 ZINC001263211209 826753667 /nfs/dbraw/zinc/75/36/67/826753667.db2.gz JBTFWBFJZRNIPQ-CYBMUJFWSA-N 2 0 254.378 -0.603 20 0 CBADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)C1 ZINC001263211709 826753788 /nfs/dbraw/zinc/75/37/88/826753788.db2.gz AOMGQRJYUDBKRO-WCFLWFBJSA-N 2 0 253.346 -0.702 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NCCCCCN1CC[NH2+]CC1 ZINC001263207981 826754143 /nfs/dbraw/zinc/75/41/43/826754143.db2.gz XJFFJKLKYMHFCI-AWEZNQCLSA-N 2 0 298.431 -0.443 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001263212442 826754216 /nfs/dbraw/zinc/75/42/16/826754216.db2.gz SMQAKFCFWGWONC-WGBDABJCSA-N 2 0 253.346 -0.561 20 0 CBADRP CC(C)(C[NH3+])C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001263223427 826756426 /nfs/dbraw/zinc/75/64/26/826756426.db2.gz IATSNEBXSZIDKH-UHFFFAOYSA-N 2 0 255.362 -0.048 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001263239927 826757501 /nfs/dbraw/zinc/75/75/01/826757501.db2.gz YTLQJRCMRDELQV-BDAKNGLRSA-N 2 0 257.334 -0.619 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001263242486 826757693 /nfs/dbraw/zinc/75/76/93/826757693.db2.gz NFVQOBGTVIGORD-LBPRGKRZSA-N 2 0 284.404 -0.406 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC001263260456 826759866 /nfs/dbraw/zinc/75/98/66/826759866.db2.gz BSSBJQWDCYOOCR-GMXVVIOVSA-N 2 0 253.346 -0.567 20 0 CBADRP C[NH2+]C1CC(C(=O)N2CCC(OC3C[NH2+]C3)CC2)C1 ZINC001263281954 826761712 /nfs/dbraw/zinc/76/17/12/826761712.db2.gz LLZMURNQPHYYNH-UHFFFAOYSA-N 2 0 267.373 -0.036 20 0 CBADRP [NH3+]C1CC2(C1)CC(NC(=O)C[C@@H]1COCC[NH2+]1)C2 ZINC001263299554 826762575 /nfs/dbraw/zinc/76/25/75/826762575.db2.gz KMHCJXDOAHOMBZ-AQICRGNOSA-N 2 0 253.346 -0.249 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC2(CCC[C@H]2C[NH3+])CC1 ZINC001263311173 826762622 /nfs/dbraw/zinc/76/26/22/826762622.db2.gz CJDNQGNGQCTXIU-LBPRGKRZSA-N 2 0 268.405 -0.098 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001263298681 826762855 /nfs/dbraw/zinc/76/28/55/826762855.db2.gz FBELJVJZRYUTMY-SVHIJIJCSA-N 2 0 255.362 -0.411 20 0 CBADRP CC[NH+](CC)CC(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001263879839 826787042 /nfs/dbraw/zinc/78/70/42/826787042.db2.gz VPGANHDDZGGMMF-CYBMUJFWSA-N 2 0 257.378 -0.147 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001263879589 826787353 /nfs/dbraw/zinc/78/73/53/826787353.db2.gz NYCHEXHTNREDLD-CYBMUJFWSA-N 2 0 257.378 -0.148 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001265068217 826843179 /nfs/dbraw/zinc/84/31/79/826843179.db2.gz BBWBXIMIHWIVKP-OLZOCXBDSA-N 2 0 287.404 -0.617 20 0 CBADRP CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)[C@H](C)C(N)=O ZINC001265145870 826852103 /nfs/dbraw/zinc/85/21/03/826852103.db2.gz CZHWOJXFPXVLGX-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001265481604 826898886 /nfs/dbraw/zinc/89/88/86/826898886.db2.gz PFUWTKZEMHWECQ-MGCOHNPYSA-N 2 0 268.361 -0.807 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]CCOCCO)C2)C1 ZINC001265502920 826899577 /nfs/dbraw/zinc/89/95/77/826899577.db2.gz CPFAUTCBLBUZTK-IHRRRGAJSA-N 2 0 299.415 -0.426 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOCCO)C1 ZINC001265490873 826899673 /nfs/dbraw/zinc/89/96/73/826899673.db2.gz LFFCTFLANZJADT-IHRRRGAJSA-N 2 0 299.415 -0.284 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001265816561 826923111 /nfs/dbraw/zinc/92/31/11/826923111.db2.gz XWSHXGYBWZYTJN-JTQLQIEISA-N 2 0 258.366 -0.832 20 0 CBADRP C[C@@H](CNC(=O)CCCC[NH+](C)C)[NH2+][C@@H]1CCNC1=O ZINC001265851497 826928553 /nfs/dbraw/zinc/92/85/53/826928553.db2.gz OOFPEOMHRKPAQY-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H](C(=O)NCCC[N@H+](C)[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001265954970 826941748 /nfs/dbraw/zinc/94/17/48/826941748.db2.gz YYJAYYJVBGWEMP-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCO)C1)[NH+](C)C ZINC001266246711 826964445 /nfs/dbraw/zinc/96/44/45/826964445.db2.gz VLNDGVIWABDKOK-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H](O)C[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266275168 826968909 /nfs/dbraw/zinc/96/89/09/826968909.db2.gz PIFMHBHKZLBOEH-DGCLKSJQSA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@@H](O)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001266326679 826983027 /nfs/dbraw/zinc/98/30/27/826983027.db2.gz HGJURABSTFNHMI-NWDGAFQWSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@H](O)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001266442317 827000852 /nfs/dbraw/zinc/00/08/52/827000852.db2.gz WXKIUOMGSJNEDU-AAEUAGOBSA-N 2 0 269.389 -0.053 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCOCCO)C1)[NH+](C)C ZINC001266535272 827016866 /nfs/dbraw/zinc/01/68/66/827016866.db2.gz WVAJZDQJMGRSTP-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266533393 827018267 /nfs/dbraw/zinc/01/82/67/827018267.db2.gz IXBZURNYFLLJNC-RYUDHWBXSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@H](O)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001266584777 827026513 /nfs/dbraw/zinc/02/65/13/827026513.db2.gz MEOLTWDPJOKXME-XUXIUFHCSA-N 2 0 299.415 -0.285 20 0 CBADRP CN(CC[NH2+]CCn1cncn1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001266660444 827042496 /nfs/dbraw/zinc/04/24/96/827042496.db2.gz OQKNUQAMKKIQCN-LBPRGKRZSA-N 2 0 280.376 -0.580 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+]CC(=O)N(C)C1CC1)[NH+](C)C ZINC001266741186 827061083 /nfs/dbraw/zinc/06/10/83/827061083.db2.gz MFTZVWSUBDPQCV-CYBMUJFWSA-N 2 0 298.431 -0.005 20 0 CBADRP CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001266815530 827069874 /nfs/dbraw/zinc/06/98/74/827069874.db2.gz WGWFBAJJURCAMZ-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001266827404 827071954 /nfs/dbraw/zinc/07/19/54/827071954.db2.gz VUFZEJRAOAGTTJ-UHFFFAOYSA-N 2 0 298.431 -0.146 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21)[NH+](C)C ZINC001266902391 827079122 /nfs/dbraw/zinc/07/91/22/827079122.db2.gz UJVNNDZSASAFGX-LBELIVKGSA-N 2 0 269.389 -0.246 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCCO ZINC001266939418 827092473 /nfs/dbraw/zinc/09/24/73/827092473.db2.gz HOPYHQHYRXOFQX-WCQYABFASA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC(N)=O ZINC001266950504 827094893 /nfs/dbraw/zinc/09/48/93/827094893.db2.gz LDQXNLUUBRBYDY-JTQLQIEISA-N 2 0 268.361 -0.806 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)CCC[NH+](C)C)C(N)=O ZINC001266968010 827100268 /nfs/dbraw/zinc/10/02/68/827100268.db2.gz RQZYBJJEARQTGG-VHSXEESVSA-N 2 0 258.366 -0.704 20 0 CBADRP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCCO ZINC001266984508 827102964 /nfs/dbraw/zinc/10/29/64/827102964.db2.gz BYFJRXJGIJRNTL-NWDGAFQWSA-N 2 0 257.378 -0.195 20 0 CBADRP COC[C@@H](O)C[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001266989299 827103707 /nfs/dbraw/zinc/10/37/07/827103707.db2.gz WITHYJUZUTYHBM-STQMWFEESA-N 2 0 287.404 -0.617 20 0 CBADRP C[C@H](O)C[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001267158543 827118833 /nfs/dbraw/zinc/11/88/33/827118833.db2.gz SBWPKPNOQFKIQB-RYUDHWBXSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCO ZINC001267159504 827120168 /nfs/dbraw/zinc/12/01/68/827120168.db2.gz ZBYGTMGXAQCISK-VXGBXAGGSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C[C@H](C)O ZINC001267238984 827135708 /nfs/dbraw/zinc/13/57/08/827135708.db2.gz WLNWCSHTDVEJHG-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001267275210 827142151 /nfs/dbraw/zinc/14/21/51/827142151.db2.gz UZCPANLFJXKKBB-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP COC[C@H](O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001267355725 827156578 /nfs/dbraw/zinc/15/65/78/827156578.db2.gz ZCLUQMMPYBMXHH-VXGBXAGGSA-N 2 0 273.377 -0.864 20 0 CBADRP CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001267391003 827163611 /nfs/dbraw/zinc/16/36/11/827163611.db2.gz YQNFMRDQIXWQLX-VHSXEESVSA-N 2 0 258.366 -0.752 20 0 CBADRP COc1cncc(C[NH2+]CCN(C)C(=O)CC[NH+](C)C)n1 ZINC001267424415 827169739 /nfs/dbraw/zinc/16/97/39/827169739.db2.gz OIVSDKMQTCHUPV-UHFFFAOYSA-N 2 0 295.387 -0.015 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267455966 827174314 /nfs/dbraw/zinc/17/43/14/827174314.db2.gz INLBOBUBFRSITL-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]CC(=O)N1CCC1 ZINC001267458549 827174359 /nfs/dbraw/zinc/17/43/59/827174359.db2.gz GJGVOHLHKFNCFA-UHFFFAOYSA-N 2 0 284.404 -0.392 20 0 CBADRP CN(CC[NH2+]CC(=O)NCC1CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267470590 827175687 /nfs/dbraw/zinc/17/56/87/827175687.db2.gz XYYDDVTYUIBWNJ-ZDUSSCGKSA-N 2 0 296.415 -0.488 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1C[NH+](CCCO)C1 ZINC001267696562 827200803 /nfs/dbraw/zinc/20/08/03/827200803.db2.gz VFFMFZAMJQZXRU-UHFFFAOYSA-N 2 0 257.378 -0.241 20 0 CBADRP COCCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268298275 827282505 /nfs/dbraw/zinc/28/25/05/827282505.db2.gz MONHWNZAHUSMTK-NEPJUHHUSA-N 2 0 273.377 -0.816 20 0 CBADRP CCC[NH2+]C[C@H](O)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268321247 827297910 /nfs/dbraw/zinc/29/79/10/827297910.db2.gz LYHCWKHVKSAGTA-RYUDHWBXSA-N 2 0 257.378 -0.195 20 0 CBADRP CCC[NH2+]C[C@@H](O)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268321249 827297952 /nfs/dbraw/zinc/29/79/52/827297952.db2.gz LYHCWKHVKSAGTA-VXGBXAGGSA-N 2 0 257.378 -0.195 20 0 CBADRP COCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268319719 827298006 /nfs/dbraw/zinc/29/80/06/827298006.db2.gz LFQAAAKXYCZZLY-RYUDHWBXSA-N 2 0 273.377 -0.816 20 0 CBADRP CC(C)[NH2+]C[C@H](O)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268322152 827300010 /nfs/dbraw/zinc/30/00/10/827300010.db2.gz PNKZRUFXISQBOH-RYUDHWBXSA-N 2 0 257.378 -0.197 20 0 CBADRP CC[NH2+]C[C@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001268325078 827301936 /nfs/dbraw/zinc/30/19/36/827301936.db2.gz RILQARLKOSZPIM-LBPRGKRZSA-N 2 0 257.378 -0.195 20 0 CBADRP CCN1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC=C(C)C)C1 ZINC001268335064 827307265 /nfs/dbraw/zinc/30/72/65/827307265.db2.gz OKRLDTAAXZOOFD-KGLIPLIRSA-N 2 0 299.415 -0.260 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CCOC2CCC2)C1 ZINC001268336528 827309073 /nfs/dbraw/zinc/30/90/73/827309073.db2.gz UOWSGZUGWPTKID-STQMWFEESA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@H](CC[NH2+]Cc1cnnn1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268349375 827312747 /nfs/dbraw/zinc/31/27/47/827312747.db2.gz JRDNQKAHNVUYKU-YPMHNXCESA-N 2 0 294.403 -0.106 20 0 CBADRP CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268422355 827324727 /nfs/dbraw/zinc/32/47/27/827324727.db2.gz AMAOZEWVSBPTPJ-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268555249 827363536 /nfs/dbraw/zinc/36/35/36/827363536.db2.gz ICJLMZAINSDQTJ-GFUIURDCSA-N 2 0 296.415 -0.131 20 0 CBADRP CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268555253 827363708 /nfs/dbraw/zinc/36/37/08/827363708.db2.gz ICJLMZAINSDQTJ-URWSZGRFSA-N 2 0 296.415 -0.131 20 0 CBADRP CNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268557075 827364743 /nfs/dbraw/zinc/36/47/43/827364743.db2.gz SMSQJGCQNTVEHE-QMAVJUDZSA-N 2 0 282.388 -0.521 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001268559881 827364959 /nfs/dbraw/zinc/36/49/59/827364959.db2.gz IMAMSQWGGACUCU-ITDFMYJTSA-N 2 0 296.415 -0.146 20 0 CBADRP COC[C@@H](O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268557392 827365181 /nfs/dbraw/zinc/36/51/81/827365181.db2.gz VCVCZTRGPGDRPB-OOPLNXAUSA-N 2 0 299.415 -0.260 20 0 CBADRP C[C@@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001268572568 827367857 /nfs/dbraw/zinc/36/78/57/827367857.db2.gz BPUOUVINAMTKPB-FBVTZJDUSA-N 2 0 296.415 -0.181 20 0 CBADRP C[C@@H]([NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001268584265 827371498 /nfs/dbraw/zinc/37/14/98/827371498.db2.gz XXVPNBFHXFDAEZ-VTYAVTIVSA-N 2 0 296.415 -0.148 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001268597390 827375550 /nfs/dbraw/zinc/37/55/50/827375550.db2.gz RYTAPXNGGFPLLW-MUBLQREKSA-N 2 0 296.415 -0.003 20 0 CBADRP C[C@H]([NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001268595066 827376105 /nfs/dbraw/zinc/37/61/05/827376105.db2.gz GTLZPMVIKTYNKS-PCAWENJQSA-N 2 0 296.415 -0.146 20 0 CBADRP CN(C)C(=O)C[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001268612585 827380003 /nfs/dbraw/zinc/38/00/03/827380003.db2.gz GRGWJNKEDZSXFA-ARJAWSKDSA-N 2 0 294.399 -0.568 20 0 CBADRP CN(CCC[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268784012 827421782 /nfs/dbraw/zinc/42/17/82/827421782.db2.gz PCBSDOOBMIXKTK-CYBMUJFWSA-N 2 0 294.403 -0.153 20 0 CBADRP CCN(C)C(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268811284 827424887 /nfs/dbraw/zinc/42/48/87/827424887.db2.gz MYOJLODNOZLXRQ-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CN(CCC[NH2+][C@@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001268834717 827428844 /nfs/dbraw/zinc/42/88/44/827428844.db2.gz BZLIWHFPGZQOGJ-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268847231 827430338 /nfs/dbraw/zinc/43/03/38/827430338.db2.gz FZWGCLAGFOEJNE-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H]([NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001268916165 827438922 /nfs/dbraw/zinc/43/89/22/827438922.db2.gz ZRRKYFYADBHHAZ-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)CN(C)C(N)=[NH2+] ZINC001268996601 827447182 /nfs/dbraw/zinc/44/71/82/827447182.db2.gz NYTRXHZAMNRDLH-PBINXNQUSA-N 2 0 253.350 -0.447 20 0 CBADRP C[NH+]1CCC(OCC(=O)N[C@H](C[NH2+]CCO)C2CC2)CC1 ZINC001269128926 827468477 /nfs/dbraw/zinc/46/84/77/827468477.db2.gz CXWKUPLCZREDBR-CQSZACIVSA-N 2 0 299.415 -0.426 20 0 CBADRP CC[N@H+](C)CC(=O)N1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001271083672 827620334 /nfs/dbraw/zinc/62/03/34/827620334.db2.gz FSUQHUNEQJJVBY-KBPBESRZSA-N 2 0 298.431 -0.589 20 0 CBADRP C[C@@H](C(=O)N1CC2(CCN2CC[NH+](C)C)C1)[NH+](C)C ZINC001271149245 827630218 /nfs/dbraw/zinc/63/02/18/827630218.db2.gz YXNJFKIHKZCHCT-LBPRGKRZSA-N 2 0 268.405 -0.215 20 0 CBADRP C[C@@H](C(=O)N1CC2(C1)C[NH+](CCn1ccnc1)C2)[NH+](C)C ZINC001271147366 827630381 /nfs/dbraw/zinc/63/03/81/827630381.db2.gz MGYUGDBIZYZRKO-ZDUSSCGKSA-N 2 0 291.399 -0.023 20 0 CBADRP C[NH+](C)CCN1CCC12CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001271223195 827678218 /nfs/dbraw/zinc/67/82/18/827678218.db2.gz OGKYXMBHJRBZRJ-ZDUSSCGKSA-N 2 0 280.416 -0.214 20 0 CBADRP CCOCCN1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001271388275 827697535 /nfs/dbraw/zinc/69/75/35/827697535.db2.gz UVFLPZRHCBBUTE-GFCCVEGCSA-N 2 0 285.388 -0.863 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC(N)=O ZINC001271493710 827705532 /nfs/dbraw/zinc/70/55/32/827705532.db2.gz CXLBCRJCNKREBG-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CC(N)=O)C1 ZINC001271610342 827714681 /nfs/dbraw/zinc/71/46/81/827714681.db2.gz VYZPCMMUAXWDJA-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]CC(N)=O)C1 ZINC001271610345 827714758 /nfs/dbraw/zinc/71/47/58/827714758.db2.gz VYZPCMMUAXWDJA-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP CC[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001272196840 827769343 /nfs/dbraw/zinc/76/93/43/827769343.db2.gz PUBBFGMUASDPSO-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]C[C@H]1CCOC1 ZINC001272224222 827770555 /nfs/dbraw/zinc/77/05/55/827770555.db2.gz BCPDVAXUSWHRQP-ZIAGYGMSSA-N 2 0 299.415 -0.472 20 0 CBADRP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC001272273439 827775599 /nfs/dbraw/zinc/77/55/99/827775599.db2.gz LABBZTPAKCEBOM-STQMWFEESA-N 2 0 281.400 -0.004 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCOC1CCC1 ZINC001272381905 827790205 /nfs/dbraw/zinc/79/02/05/827790205.db2.gz XZVOEIJTOQZWEJ-OCCSQVGLSA-N 2 0 299.415 -0.284 20 0 CBADRP CCC[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001272435071 827797590 /nfs/dbraw/zinc/79/75/90/827797590.db2.gz OMQCNIGVWQHPEM-GFCCVEGCSA-N 2 0 257.378 -0.053 20 0 CBADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCN1C ZINC001272555735 827820832 /nfs/dbraw/zinc/82/08/32/827820832.db2.gz RKKFBSGOXJTTQS-WTUNAVPPSA-N 2 0 280.416 -0.026 20 0 CBADRP COC[C@H](O)C[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001273123249 827866419 /nfs/dbraw/zinc/86/64/19/827866419.db2.gz PPWQVIAEEPUFLD-CHWSQXEVSA-N 2 0 299.415 -0.426 20 0 CBADRP CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001273122993 827867239 /nfs/dbraw/zinc/86/72/39/827867239.db2.gz LVDWGSIJGJGUFS-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273175968 827871553 /nfs/dbraw/zinc/87/15/53/827871553.db2.gz NLJXVRCDOCCIJG-GHMZBOCLSA-N 2 0 270.377 -0.832 20 0 CBADRP CCN(CC[NH2+]CC(=O)N1CCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001273298127 827887784 /nfs/dbraw/zinc/88/77/84/827887784.db2.gz JDAIEBNBZHKDEF-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP CCN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001273374188 827896961 /nfs/dbraw/zinc/89/69/61/827896961.db2.gz HEMQGXZXCJHUCA-LBPRGKRZSA-N 2 0 284.404 -0.217 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273699364 827919694 /nfs/dbraw/zinc/91/96/94/827919694.db2.gz LJCKFJOCISWRPF-HNNXBMFYSA-N 2 0 296.415 -0.392 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274047652 827956415 /nfs/dbraw/zinc/95/64/15/827956415.db2.gz SBIOOAFNASIYJC-GXTWGEPZSA-N 2 0 269.389 -0.147 20 0 CBADRP C[NH+](C)CCN1CCC2(CC[NH+](CC(N)=O)CC2)C1=O ZINC001274062751 827962208 /nfs/dbraw/zinc/96/22/08/827962208.db2.gz WZFWYPSTOKYEJT-UHFFFAOYSA-N 2 0 282.388 -0.652 20 0 CBADRP CC(C)[C@H](C(=O)NC/C=C\C[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001274339525 827984138 /nfs/dbraw/zinc/98/41/38/827984138.db2.gz OCIFMZYHGLYZFL-AGFGORMFSA-N 2 0 296.415 -0.277 20 0 CBADRP CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001274368900 827986566 /nfs/dbraw/zinc/98/65/66/827986566.db2.gz NPFKIQKHLASGDJ-YBJDMEARSA-N 2 0 294.403 -0.083 20 0 CBADRP C[NH+](C)CCNC(=O)[C@H]1CC12CC[NH+](C[C@H](O)CO)CC2 ZINC001274564603 828001766 /nfs/dbraw/zinc/00/17/66/828001766.db2.gz JVVKXFZAPCHUKG-QWHCGFSZSA-N 2 0 299.415 -0.881 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]CC(=O)NC2CC2)C1 ZINC001274578079 828003990 /nfs/dbraw/zinc/00/39/90/828003990.db2.gz FBONLOBBJLDQJV-QAVQXKDTSA-N 2 0 294.399 -0.521 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001274643447 828016774 /nfs/dbraw/zinc/01/67/74/828016774.db2.gz QFDROZCLZYTZGA-ZFWWWQNUSA-N 2 0 299.415 -0.378 20 0 CBADRP COCC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001275022068 828048776 /nfs/dbraw/zinc/04/87/76/828048776.db2.gz BPUJJIJSGAJLIF-QWHCGFSZSA-N 2 0 287.404 -0.305 20 0 CBADRP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C)CC3)[C@@H]2C1 ZINC001275047259 828052016 /nfs/dbraw/zinc/05/20/16/828052016.db2.gz RZNUBROYJUQPOI-CHWSQXEVSA-N 2 0 280.416 -0.310 20 0 CBADRP C[NH+](C)CCN1CC[N@H+](C)C[C@@]2(CCCC(=O)N2)C1 ZINC001275047457 828052659 /nfs/dbraw/zinc/05/26/59/828052659.db2.gz UJUBYRHBHOGSFA-AWEZNQCLSA-N 2 0 268.405 -0.166 20 0 CBADRP C[C@@H](C[NH2+]CCN1CCNC1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001275265436 828073932 /nfs/dbraw/zinc/07/39/32/828073932.db2.gz BDYHZLZRRREJEK-NWDGAFQWSA-N 2 0 297.403 -0.800 20 0 CBADRP CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)C[N@H+](C)C1CCC1 ZINC001276047698 828132405 /nfs/dbraw/zinc/13/24/05/828132405.db2.gz FCYMDLYVTYBBSK-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CCN1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001276463611 828146809 /nfs/dbraw/zinc/14/68/09/828146809.db2.gz WDWGHQIVCUVSEX-KGLIPLIRSA-N 2 0 270.421 -0.505 20 0 CBADRP COC(C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C)OC ZINC001276642546 828153675 /nfs/dbraw/zinc/15/36/75/828153675.db2.gz IXAAXVVRHGJVNF-OLZOCXBDSA-N 2 0 287.404 -0.448 20 0 CBADRP CN(C)C(=O)CN1CCC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001276714475 828156805 /nfs/dbraw/zinc/15/68/05/828156805.db2.gz XQVWFQSGAVUFAC-UHFFFAOYSA-N 2 0 280.416 -0.166 20 0 CBADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC001276714519 828156946 /nfs/dbraw/zinc/15/69/46/828156946.db2.gz ZVWJZLDYOMYFHV-CVEARBPZSA-N 3 0 296.459 -0.067 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)Cn1ccnc1 ZINC001276986533 828169845 /nfs/dbraw/zinc/16/98/45/828169845.db2.gz XGTYZYKXRRMHFG-GHMZBOCLSA-N 2 0 252.318 -0.546 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)Cn1ccnc1 ZINC001276986534 828170016 /nfs/dbraw/zinc/17/00/16/828170016.db2.gz XGTYZYKXRRMHFG-MNOVXSKESA-N 2 0 252.318 -0.546 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001277141940 828176879 /nfs/dbraw/zinc/17/68/79/828176879.db2.gz ULSGHZVMHRRXKN-NXEZZACHSA-N 2 0 268.361 -0.807 20 0 CBADRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1COCCO1)C2 ZINC001277526373 828192431 /nfs/dbraw/zinc/19/24/31/828192431.db2.gz CGRYZHMRFIOPEM-QLFBSQMISA-N 2 0 283.416 -0.031 20 0 CBADRP C[NH+](C)CCN1CC2(C1)C[NH+](C[C@H]1COCCO1)C2 ZINC001277526401 828193081 /nfs/dbraw/zinc/19/30/81/828193081.db2.gz CXVVTAXWGRPFFU-ZDUSSCGKSA-N 2 0 269.389 -0.419 20 0 CBADRP CN(C)C(=O)CC[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277637405 828199745 /nfs/dbraw/zinc/19/97/45/828199745.db2.gz WTHLWXGGNGIBIJ-KBPBESRZSA-N 2 0 298.431 -0.589 20 0 CBADRP Cn1c[nH+]cc1N1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277769805 828207974 /nfs/dbraw/zinc/20/79/74/828207974.db2.gz UWKOFSZMTZAJSC-OLZOCXBDSA-N 2 0 279.388 -0.129 20 0 CBADRP NC(=O)[C@@H]1COCCC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001277821913 828211937 /nfs/dbraw/zinc/21/19/37/828211937.db2.gz OHQMRWHXMKFQEE-LBPRGKRZSA-N 2 0 267.373 -0.190 20 0 CBADRP C[C@H](O)C[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277961034 828223559 /nfs/dbraw/zinc/22/35/59/828223559.db2.gz PZJDDUXAZNFNES-AVGNSLFASA-N 2 0 257.378 -0.686 20 0 CBADRP COCCOC[N@H+]1CC[C@H]2C[NH+](CC(N)=O)C[C@H]2CC1 ZINC001277981087 828226188 /nfs/dbraw/zinc/22/61/88/828226188.db2.gz GXGYUEDCAQTBLQ-BETUJISGSA-N 2 0 285.388 -0.264 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCO)[NH+](C)C ZINC001277982932 828226363 /nfs/dbraw/zinc/22/63/63/828226363.db2.gz YVENQGGONAFRBI-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCO)[NH+](C)C ZINC001277982930 828226962 /nfs/dbraw/zinc/22/69/62/828226962.db2.gz YVENQGGONAFRBI-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP CNC(=O)C[NH+]1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001278012288 828230886 /nfs/dbraw/zinc/23/08/86/828230886.db2.gz AMNMBGYWYIRVLA-UHFFFAOYSA-N 2 0 268.405 -0.308 20 0 CBADRP CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001278077310 828242455 /nfs/dbraw/zinc/24/24/55/828242455.db2.gz IFWIYAYRYQOYGZ-NWDGAFQWSA-N 2 0 257.378 -0.054 20 0 CBADRP CC[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001278105774 828248034 /nfs/dbraw/zinc/24/80/34/828248034.db2.gz OICMUZGDOKFVQT-LLVKDONJSA-N 2 0 255.362 -0.299 20 0 CBADRP CC(C)[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001278179658 828257206 /nfs/dbraw/zinc/25/72/06/828257206.db2.gz SVNQJSZBVUOSNN-NWDGAFQWSA-N 2 0 257.378 -0.197 20 0 CBADRP COCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001278755368 828282769 /nfs/dbraw/zinc/28/27/69/828282769.db2.gz FNQPRKTUXYFFJY-UONOGXRCSA-N 2 0 299.415 -0.617 20 0 CBADRP CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001278804307 828291998 /nfs/dbraw/zinc/29/19/98/828291998.db2.gz PZCBNIMAYAXBNZ-NEPJUHHUSA-N 2 0 257.378 -0.243 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC001347181865 890426871 /nfs/dbraw/zinc/42/68/71/890426871.db2.gz OXBQKCJRJVHGJS-MDZLAQPJSA-N 2 0 253.346 -0.567 20 0 CBADRP CC[C@@H](C(=O)NCCNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001348648033 890673336 /nfs/dbraw/zinc/67/33/36/890673336.db2.gz NWURDEVOPUNGMF-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP NC(=O)CN1CCC[C@@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC001349471061 890820056 /nfs/dbraw/zinc/82/00/56/890820056.db2.gz AMJJKPAPWWCCLX-SNVBAGLBSA-N 2 0 268.361 -0.819 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(CC(=O)N2CC[NH2+]CC2)C1 ZINC001349485679 890825411 /nfs/dbraw/zinc/82/54/11/890825411.db2.gz BOLHQEQSZUFOIV-ZDUSSCGKSA-N 2 0 268.405 -0.308 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[NH2+]CCC12CCC2 ZINC001349864666 890907259 /nfs/dbraw/zinc/90/72/59/890907259.db2.gz MCKMTPZGELBOCS-NSHDSACASA-N 2 0 254.378 -0.380 20 0 CBADRP CN(CCC[NH3+])C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001350405543 890979307 /nfs/dbraw/zinc/97/93/07/890979307.db2.gz RHXXBQKNGXORPM-SECBINFHSA-N 2 0 251.334 -0.093 20 0 CBADRP [NH3+]CC1(O)CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001350909467 891063359 /nfs/dbraw/zinc/06/33/59/891063359.db2.gz JAFMABDOXWEEBB-NSHDSACASA-N 2 0 254.334 -0.970 20 0 CBADRP CNC(=O)C1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001350908962 891065137 /nfs/dbraw/zinc/06/51/37/891065137.db2.gz GTHFHMRRUZLTLK-GFCCVEGCSA-N 2 0 267.373 -0.177 20 0 CBADRP CNC(=O)C1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001350908965 891065156 /nfs/dbraw/zinc/06/51/56/891065156.db2.gz GTHFHMRRUZLTLK-LBPRGKRZSA-N 2 0 267.373 -0.177 20 0 CBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cnc(=O)[nH]c1 ZINC001191191210 884728471 /nfs/dbraw/zinc/72/84/71/884728471.db2.gz UIONXXJBXURAJQ-UHFFFAOYSA-N 2 0 280.332 -0.140 20 0 CBADRP CCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374546 884777334 /nfs/dbraw/zinc/77/73/34/884777334.db2.gz LPVIYQCTCYUOSZ-CHWSQXEVSA-N 2 0 287.404 -0.210 20 0 CBADRP COCCOC[C@@H](O)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC001326146467 884919070 /nfs/dbraw/zinc/91/90/70/884919070.db2.gz KMDSWZREAUIAHD-KBPBESRZSA-N 2 0 289.420 -0.764 20 0 CBADRP CC(C)C[NH2+]CC(=O)N(C)CCN1CC[NH2+]CC1 ZINC001326277029 884966945 /nfs/dbraw/zinc/96/69/45/884966945.db2.gz ZWJSEIDAHQWOAB-UHFFFAOYSA-N 2 0 256.394 -0.404 20 0 CBADRP CC1(C)C[NH2+]CC[C@H]1NCC(=O)N1CC[NH2+]CC1 ZINC001326310943 884986051 /nfs/dbraw/zinc/98/60/51/884986051.db2.gz MGNFOIBXKIBXLF-LLVKDONJSA-N 2 0 254.378 -0.604 20 0 CBADRP [NH3+]CCOCC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC001326325307 884989365 /nfs/dbraw/zinc/98/93/65/884989365.db2.gz OXOLYJCEUPKZEC-OCCSQVGLSA-N 2 0 285.388 -0.293 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N2CCC[NH2+]CC2)nn1 ZINC001326353147 885000894 /nfs/dbraw/zinc/00/08/94/885000894.db2.gz LEURAKULWQOCEW-UHFFFAOYSA-N 2 0 252.322 -0.938 20 0 CBADRP C[NH+](C)CCCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC001326409487 885021350 /nfs/dbraw/zinc/02/13/50/885021350.db2.gz YIENMVOUEWUUCA-UHFFFAOYSA-N 2 0 291.417 -0.779 20 0 CBADRP C[C@@H](CO)C1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1 ZINC001326801497 885156478 /nfs/dbraw/zinc/15/64/78/885156478.db2.gz XXTYJHZTCBDEJR-LBPRGKRZSA-N 2 0 269.389 -0.241 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC001327129678 885265739 /nfs/dbraw/zinc/26/57/39/885265739.db2.gz AFKAWJJCHHLOGK-AAEUAGOBSA-N 2 0 267.373 -0.312 20 0 CBADRP [NH3+]C1(CC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC001327929590 885532902 /nfs/dbraw/zinc/53/29/02/885532902.db2.gz UAKWADMXHOWSNH-NSHDSACASA-N 2 0 252.362 -0.626 20 0 CBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC001328594736 885739037 /nfs/dbraw/zinc/73/90/37/885739037.db2.gz YXGAJOZSUPXZTE-WOPDTQHZSA-N 2 0 255.362 -0.036 20 0 CBADRP c1c(C[C@@H]2CC[NH2+]C2)nnn1C[C@@H]1C[NH2+]CCO1 ZINC001329244863 885978814 /nfs/dbraw/zinc/97/88/14/885978814.db2.gz FUCUWHBZUKKGBD-JQWIXIFHSA-N 2 0 251.334 -0.582 20 0 CBADRP C[C@@H]1CN(CCN2CCN([C@H]3CC[NH2+]C3)CC2)CCO1 ZINC001329500226 886097593 /nfs/dbraw/zinc/09/75/93/886097593.db2.gz ZWOLLBXXGHGYBJ-CABCVRRESA-N 2 0 282.432 -0.313 20 0 CBADRP CC[C@@H]1CN(C(=O)c2cn(CC[NH3+])nn2)CC[C@H]1[NH3+] ZINC001329923832 886276947 /nfs/dbraw/zinc/27/69/47/886276947.db2.gz LLZJVOFYURJDOM-NXEZZACHSA-N 2 0 266.349 -0.564 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC001329936548 886285340 /nfs/dbraw/zinc/28/53/40/886285340.db2.gz IGIBTCBFWZXNAH-MNOVXSKESA-N 2 0 253.346 -0.295 20 0 CBADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC001330187024 886383691 /nfs/dbraw/zinc/38/36/91/886383691.db2.gz WGJVNBXEKAXKCC-QNWHQSFQSA-N 2 0 257.378 -0.605 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)CC1 ZINC001330625002 886508544 /nfs/dbraw/zinc/50/85/44/886508544.db2.gz BRLABSDXOWTHNH-VSQXVHSFSA-N 2 0 267.373 -0.146 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001331004552 886645627 /nfs/dbraw/zinc/64/56/27/886645627.db2.gz GBEXSPZDXGXZGX-OCCSQVGLSA-N 2 0 267.373 -0.033 20 0 CBADRP [NH3+]CCOCC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001331067189 886666446 /nfs/dbraw/zinc/66/64/46/886666446.db2.gz PHWCVRZZEOJSSI-LLVKDONJSA-N 2 0 271.361 -0.763 20 0 CBADRP Cc1cc(C[NH3+])oc1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001331041354 886654260 /nfs/dbraw/zinc/65/42/60/886654260.db2.gz KWGAVYMPZLSRBO-JTQLQIEISA-N 2 0 253.302 -0.154 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC001331320779 886776503 /nfs/dbraw/zinc/77/65/03/886776503.db2.gz XSALKNAFPOVKLP-AXFHLTTASA-N 2 0 282.388 -0.419 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NCC1([NH3+])CCOCC1 ZINC001331569879 886847828 /nfs/dbraw/zinc/84/78/28/886847828.db2.gz RDRLJAITWHKZGC-UHFFFAOYSA-N 2 0 274.365 -0.889 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001331688645 886908097 /nfs/dbraw/zinc/90/80/97/886908097.db2.gz DELQOBGZYFDEHV-OUAUKWLOSA-N 2 0 268.361 -0.902 20 0 CBADRP [NH3+]CCCCn1cc(CCN2CCC([NH3+])CC2)nn1 ZINC001331859000 887015463 /nfs/dbraw/zinc/01/54/63/887015463.db2.gz XBIKOPOSMHHOLE-UHFFFAOYSA-N 2 0 266.393 -0.017 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1C[NH2+]C1 ZINC001332399592 887259587 /nfs/dbraw/zinc/25/95/87/887259587.db2.gz DRCOKHKHVFHPKL-ZYHUDNBSSA-N 3 0 267.373 -0.131 20 0 CBADRP [NH3+]CC1(C[NH2+]CC[C@H]2CNCCS2(=O)=O)CC1 ZINC001332473619 887307307 /nfs/dbraw/zinc/30/73/07/887307307.db2.gz OVXMKYDRICMBKJ-JTQLQIEISA-N 2 0 261.391 -0.908 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC001332556372 887351493 /nfs/dbraw/zinc/35/14/93/887351493.db2.gz DNCJJNKQHADHCX-XWLWVQCSSA-N 2 0 256.350 -0.519 20 0 CBADRP F[C@@H]1C[NH2+][C@H](CN2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC001333595940 887708465 /nfs/dbraw/zinc/70/84/65/887708465.db2.gz NRJUZHNXNOJZEV-AVGNSLFASA-N 2 0 256.369 -0.334 20 0 CBADRP CN(C(=O)C[C@@H]1COCC[NH2+]1)c1cc(C[NH3+])ccn1 ZINC001334115308 887868259 /nfs/dbraw/zinc/86/82/59/887868259.db2.gz RCKZIFRIOOFWKR-LLVKDONJSA-N 2 0 264.329 -0.118 20 0 CBADRP OCc1cn(CCC[NH2+]C[C@H](O)C[NH+]2CCCC2)nn1 ZINC001335380251 888519440 /nfs/dbraw/zinc/51/94/40/888519440.db2.gz DHXOQZPYQDIYTH-ZDUSSCGKSA-N 2 0 283.376 -0.793 20 0 CBADRP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)NC[C@H]1COCC[NH2+]1 ZINC001335618811 888581916 /nfs/dbraw/zinc/58/19/16/888581916.db2.gz SJLIHLAUZBYLSW-GMXVVIOVSA-N 2 0 268.361 -0.502 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CCC(=O)NC(N)=O)C1 ZINC001336738785 888863575 /nfs/dbraw/zinc/86/35/75/888863575.db2.gz FIADEWMVSZWNEY-JTQLQIEISA-N 2 0 256.350 -0.109 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001336964175 888936207 /nfs/dbraw/zinc/93/62/07/888936207.db2.gz GEKRUQIICLNULS-SRVKXCTJSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC001336926414 888921946 /nfs/dbraw/zinc/92/19/46/888921946.db2.gz MVOJLSVXGHWBQH-CKYFFXLPSA-N 2 0 258.366 -0.794 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)N1CCNCC[NH2+]CC1 ZINC001336990226 888943683 /nfs/dbraw/zinc/94/36/83/888943683.db2.gz QBDFXBSGMBUISV-NSHDSACASA-N 2 0 269.393 -0.811 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001338661299 889188352 /nfs/dbraw/zinc/18/83/52/889188352.db2.gz YGRVASJKOJQKME-LOWVWBTDSA-N 2 0 268.361 -0.584 20 0 CBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CNCC[NH3+])C1 ZINC001340240106 889413755 /nfs/dbraw/zinc/41/37/55/889413755.db2.gz FMCDGHQFLRLGEY-CYBMUJFWSA-N 2 0 286.420 -0.506 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)C[N@@H+]1C1CC1 ZINC001340242655 889414435 /nfs/dbraw/zinc/41/44/35/889414435.db2.gz VIZUEEFQSSZUJX-WCABBAIRSA-N 2 0 255.362 -0.174 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001340298712 889419038 /nfs/dbraw/zinc/41/90/38/889419038.db2.gz XAEBDXXMLJWTKQ-GXTWGEPZSA-N 2 0 266.389 -0.508 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC001340465318 889437332 /nfs/dbraw/zinc/43/73/32/889437332.db2.gz YPUPZTWVFLVFNY-GXFFZTMASA-N 2 0 269.389 -0.054 20 0 CBADRP [NH3+]CC1(CC(=O)NCC2(O)C[NH2+]C2)CCCCC1 ZINC001340596880 889451221 /nfs/dbraw/zinc/45/12/21/889451221.db2.gz UWJXEUVWFAGUIU-UHFFFAOYSA-N 2 0 255.362 -0.264 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)C1 ZINC001340787574 889486682 /nfs/dbraw/zinc/48/66/82/889486682.db2.gz NAUBOFBMUDUIEC-CWSCBRNRSA-N 2 0 266.345 -0.262 20 0 CBADRP C[C@H](NC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1)C1CC[NH2+]CC1 ZINC001340787014 889487193 /nfs/dbraw/zinc/48/71/93/889487193.db2.gz JSXMAAHADLBXKE-XHVZSJERSA-N 2 0 255.362 -0.396 20 0 CBADRP C[C@]1(C(=O)N2CCCCC[C@@H]([NH3+])C2)C[C@H](O)C[NH2+]1 ZINC001340876183 889503429 /nfs/dbraw/zinc/50/34/29/889503429.db2.gz LXLDPGFODHGWGH-NTZNESFSSA-N 2 0 255.362 -0.171 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001340891720 889506238 /nfs/dbraw/zinc/50/62/38/889506238.db2.gz BXQYISMPYBMNIN-LBPRGKRZSA-N 2 0 264.329 -0.560 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@H]1CC[NH2+]C12CCC2 ZINC001340825581 889492133 /nfs/dbraw/zinc/49/21/33/889492133.db2.gz KVYIIBYXGQNINS-WCQYABFASA-N 2 0 267.373 -0.108 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001340942615 889519256 /nfs/dbraw/zinc/51/92/56/889519256.db2.gz FALAWFXTIKUCTG-QWHCGFSZSA-N 2 0 269.389 -0.066 20 0 CBADRP C[C@]1(C(=O)NCCN2CCC([NH3+])CC2)CC[NH2+]C1 ZINC001340941966 889519671 /nfs/dbraw/zinc/51/96/71/889519671.db2.gz GXGXSTHVJRETMS-ZDUSSCGKSA-N 2 0 254.378 -0.475 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)[C@H]1CC[NH2+]1 ZINC001340906461 889509083 /nfs/dbraw/zinc/50/90/83/889509083.db2.gz ZBMBFSWXINVGPG-WDEREUQCSA-N 2 0 253.346 -0.377 20 0 CBADRP O=C([C@H]1CC12CC[NH2+]CC2)N1CC[NH2+]C[C@@H]1CO ZINC001340955156 889522731 /nfs/dbraw/zinc/52/27/31/889522731.db2.gz XKXXLZVGNKAVED-GHMZBOCLSA-N 2 0 253.346 -0.831 20 0 CBADRP C[NH2+][C@H](CNC(=O)C[C@H](O)C[NH3+])Cc1ccccc1 ZINC001341026977 889532029 /nfs/dbraw/zinc/53/20/29/889532029.db2.gz DJLJPXPRAMMDNL-STQMWFEESA-N 2 0 265.357 -0.357 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001341155118 889550879 /nfs/dbraw/zinc/55/08/79/889550879.db2.gz ZXUJWSFPXQETES-KXNHARMFSA-N 2 0 255.362 -0.729 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC001341238309 889562693 /nfs/dbraw/zinc/56/26/93/889562693.db2.gz JMORXDYYVYQTIW-AAEUAGOBSA-N 2 0 255.362 -0.169 20 0 CBADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC001341370090 889582875 /nfs/dbraw/zinc/58/28/75/889582875.db2.gz VSDYGPHHRXQWOI-HOSYDEDBSA-N 2 0 251.330 -0.767 20 0 CBADRP O=C(NC1(C2CC[NH2+]CC2)CC1)[C@@H]1C[NH2+]CCO1 ZINC001341402479 889589407 /nfs/dbraw/zinc/58/94/07/889589407.db2.gz AZRLOZHBMGMTCR-NSHDSACASA-N 2 0 253.346 -0.377 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC001341492792 889606966 /nfs/dbraw/zinc/60/69/66/889606966.db2.gz MHGDUDHYJSIXPK-UTUOFQBUSA-N 2 0 257.378 -0.067 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC001341514157 889612237 /nfs/dbraw/zinc/61/22/37/889612237.db2.gz GQQCQXIUFBNHIY-SCRDCRAPSA-N 2 0 267.373 -0.177 20 0 CBADRP O=C(CC[NH2+]C1CC1)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001341526079 889614582 /nfs/dbraw/zinc/61/45/82/889614582.db2.gz OQMSFCOWMRCWKJ-GFCCVEGCSA-N 2 0 252.318 -0.876 20 0 CBADRP C[C@H]([NH2+]C1CC1)C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001341525131 889615862 /nfs/dbraw/zinc/61/58/62/889615862.db2.gz JANBOSIRNDSNBJ-UFBFGSQYSA-N 2 0 252.318 -0.878 20 0 CBADRP C[C@@]1(C(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@@H](O)C[NH2+]1 ZINC001341641993 889640140 /nfs/dbraw/zinc/64/01/40/889640140.db2.gz FMSHMHBMRGIVDF-YPMHNXCESA-N 2 0 267.373 -0.299 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001341664689 889643128 /nfs/dbraw/zinc/64/31/28/889643128.db2.gz DBUWRWRAIXBJAN-NTZNESFSSA-N 2 0 253.346 -0.831 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC[NH2+]1 ZINC001341769631 889660285 /nfs/dbraw/zinc/66/02/85/889660285.db2.gz XVRSWOYDVMLPOU-NMKXLXIOSA-N 2 0 267.373 -0.131 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001341940427 889687337 /nfs/dbraw/zinc/68/73/37/889687337.db2.gz IPKJESGEDZVFGU-SDDRHHMPSA-N 2 0 256.394 -0.265 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)CC[NH+](C)C ZINC001443771194 912274124 /nfs/dbraw/zinc/27/41/24/912274124.db2.gz WWAIVSIAOVFNQE-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001342190222 889729343 /nfs/dbraw/zinc/72/93/43/889729343.db2.gz QGZJZFVCIXCHCN-LLVKDONJSA-N 2 0 255.362 -0.049 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001342219409 889732046 /nfs/dbraw/zinc/73/20/46/889732046.db2.gz JSTJSWDMFFJXCK-SDDRHHMPSA-N 2 0 282.388 -0.560 20 0 CBADRP CC[C@H](C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2)[NH+](C)C ZINC001342301907 889750409 /nfs/dbraw/zinc/75/04/09/889750409.db2.gz PXBNYNIRBODMAW-BXKDBHETSA-N 2 0 254.334 -0.678 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1[NH2+]CC12CCCC2 ZINC001342351123 889757960 /nfs/dbraw/zinc/75/79/60/889757960.db2.gz WMUSFOYWTVZCBL-GHMZBOCLSA-N 2 0 255.362 -0.443 20 0 CBADRP CC1(C)CN(C(=O)CO[C@@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC001342584829 889794729 /nfs/dbraw/zinc/79/47/29/889794729.db2.gz PNJPCJUNSOCFCN-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001342688811 889814486 /nfs/dbraw/zinc/81/44/86/889814486.db2.gz DINQWGPYLJRZDX-VHSXEESVSA-N 2 0 269.345 -0.617 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C[C@H]1C[NH3+] ZINC001342758435 889824479 /nfs/dbraw/zinc/82/44/79/889824479.db2.gz ZTVOFMHEPSCQQJ-BYNQJWBRSA-N 2 0 267.373 -0.334 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)[C@@H]3C[NH2+]CCO3)[C@@H]2C1 ZINC001342816829 889832718 /nfs/dbraw/zinc/83/27/18/889832718.db2.gz QGLAOGLRPZUICZ-QCNOEVLYSA-N 2 0 253.346 -0.569 20 0 CBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3C[NH2+]CCO3)[C@H]2C1 ZINC001342816828 889832850 /nfs/dbraw/zinc/83/28/50/889832850.db2.gz QGLAOGLRPZUICZ-BJDJZHNGSA-N 2 0 253.346 -0.569 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)CCC[NH+](C)C ZINC001342884559 889838490 /nfs/dbraw/zinc/83/84/90/889838490.db2.gz UNINISVAXGAESH-SNVBAGLBSA-N 2 0 259.350 -0.323 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001343069874 889863666 /nfs/dbraw/zinc/86/36/66/889863666.db2.gz GVBHLPVYXPHVLV-NOOOWODRSA-N 2 0 253.346 -0.236 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001343178421 889875478 /nfs/dbraw/zinc/87/54/78/889875478.db2.gz KFEZPEXKZMJYCA-WISYIIOYSA-N 2 0 253.346 -0.711 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC001343181915 889875629 /nfs/dbraw/zinc/87/56/29/889875629.db2.gz UANFGVWSCGYNON-MNOVXSKESA-N 2 0 255.362 -0.321 20 0 CBADRP C[C@@H](CNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2)[NH+](C)C ZINC001343393183 889898238 /nfs/dbraw/zinc/89/82/38/889898238.db2.gz FMULMOOUBYEORF-GWCFXTLKSA-N 2 0 268.361 -0.049 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCC1CC[NH+](C)CC1 ZINC001343407847 889904137 /nfs/dbraw/zinc/90/41/37/889904137.db2.gz NUMXAMSLLYCKMH-PWSUYJOCSA-N 2 0 257.378 -0.339 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001444244016 912393734 /nfs/dbraw/zinc/39/37/34/912393734.db2.gz ZZLQKAJHXXGTFM-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP COC[C@H]([NH3+])C(=O)NCc1cnc(N(C)C)n1C ZINC001343422915 889906623 /nfs/dbraw/zinc/90/66/23/889906623.db2.gz ASNJQPZZFPVADW-VIFPVBQESA-N 2 0 255.322 -0.924 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001444248767 912400467 /nfs/dbraw/zinc/40/04/67/912400467.db2.gz PLYDIGWLXBUZIU-UPJWGTAASA-N 2 0 296.415 -0.075 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001343486933 889919377 /nfs/dbraw/zinc/91/93/77/889919377.db2.gz ORWHGPRVZGAPAV-OCCSQVGLSA-N 2 0 266.389 -0.508 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC(=O)N1CCC1 ZINC001444407121 912442255 /nfs/dbraw/zinc/44/22/55/912442255.db2.gz NDSWNTAJQJNUNO-ZDUSSCGKSA-N 2 0 296.415 -0.344 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C[NH2+]1 ZINC001344356104 890016339 /nfs/dbraw/zinc/01/63/39/890016339.db2.gz ATJNAIXVKIRNIP-NMKXLXIOSA-N 2 0 267.373 -0.131 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001444523307 912460905 /nfs/dbraw/zinc/46/09/05/912460905.db2.gz RFHCKFDLXDRYDD-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC001344519122 890037809 /nfs/dbraw/zinc/03/78/09/890037809.db2.gz SJXBIQBBCWOMMO-LOWDOPEQSA-N 2 0 269.389 -0.102 20 0 CBADRP [NH3+]CCNCC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001344730945 890053691 /nfs/dbraw/zinc/05/36/91/890053691.db2.gz JEYOJZPEKCIFRY-HTQZYQBOSA-N 2 0 268.283 -0.727 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC ZINC001444711914 912494487 /nfs/dbraw/zinc/49/44/87/912494487.db2.gz RWKOPCOJTMCVQC-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001444763067 912504823 /nfs/dbraw/zinc/50/48/23/912504823.db2.gz WHQRATQPUGRXEY-OLZOCXBDSA-N 2 0 298.431 -0.066 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[C@H](C)[NH2+]C ZINC001345196774 890110816 /nfs/dbraw/zinc/11/08/16/890110816.db2.gz GEGNRLVJUARGJD-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC001345186366 890110852 /nfs/dbraw/zinc/11/08/52/890110852.db2.gz NUALURXEJTWZJT-QWRGUYRKSA-N 2 0 284.404 -0.301 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001444824783 912508244 /nfs/dbraw/zinc/50/82/44/912508244.db2.gz VQWHYYTTYAVJTB-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)[C@]3(C)C[C@@H](O)C[NH2+]3)C[C@]2(C)C1 ZINC001345391775 890123825 /nfs/dbraw/zinc/12/38/25/890123825.db2.gz MFNGQWBVZFAFCA-RFHZTLPTSA-N 2 0 267.373 -0.491 20 0 CBADRP c1ncn([C@@H]2CC[N@@H+](CCN3CC[NH2+]CC3)C2)n1 ZINC001346028408 890198943 /nfs/dbraw/zinc/19/89/43/890198943.db2.gz LZEJTHWYYJTBHU-GFCCVEGCSA-N 2 0 250.350 -0.570 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC001346057364 890206580 /nfs/dbraw/zinc/20/65/80/890206580.db2.gz JFOMVAGCXAVMIO-UHFFFAOYSA-N 2 0 254.378 -0.475 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC(N)=O)C1 ZINC001445148438 912578988 /nfs/dbraw/zinc/57/89/88/912578988.db2.gz XFPWVHSOEHHOCH-VXGBXAGGSA-N 2 0 282.388 -0.654 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)NC[C@@H]1CCC[NH2+]CC1 ZINC001346429736 890287021 /nfs/dbraw/zinc/28/70/21/890287021.db2.gz CPTBELGGBCQLKK-TZMCWYRMSA-N 2 0 269.389 -0.003 20 0 CBADRP CCO[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])C[NH+](C)C ZINC001346491882 890303087 /nfs/dbraw/zinc/30/30/87/890303087.db2.gz YUMIWDOKCRUSBW-HBNTYKKESA-N 2 0 260.382 -0.012 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCNCC[NH2+]CC1 ZINC001346501425 890306739 /nfs/dbraw/zinc/30/67/39/890306739.db2.gz OAPGCZNFMWKGKB-WDEREUQCSA-N 2 0 257.382 -0.683 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001346537179 890318547 /nfs/dbraw/zinc/31/85/47/890318547.db2.gz HLBQXFDEZDGFQG-DDHJBXDOSA-N 2 0 252.362 -0.012 20 0 CBADRP Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001445268557 912621683 /nfs/dbraw/zinc/62/16/83/912621683.db2.gz JFKBJTBNWXAHJT-NWDGAFQWSA-N 2 0 296.371 -0.499 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445301587 912628246 /nfs/dbraw/zinc/62/82/46/912628246.db2.gz AMWULAFQWUDGCC-DGCLKSJQSA-N 2 0 296.415 -0.360 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001445330080 912632224 /nfs/dbraw/zinc/63/22/24/912632224.db2.gz YCPHNJOPRBQQKM-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)[C@@H]1CCO ZINC001347144810 890414694 /nfs/dbraw/zinc/41/46/94/890414694.db2.gz BJUPCLCWTJLGBC-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC001347157459 890417822 /nfs/dbraw/zinc/41/78/22/890417822.db2.gz LSJLNGSYTAYAML-QJPTWQEYSA-N 2 0 255.362 -0.062 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCN(C(C)(C)C)CC1 ZINC001347160839 890421153 /nfs/dbraw/zinc/42/11/53/890421153.db2.gz RFTUZAHAPXZUIR-UHFFFAOYSA-N 2 0 284.404 -0.264 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001445430972 912666931 /nfs/dbraw/zinc/66/69/31/912666931.db2.gz CIQBLDZJQOSRDR-MNOVXSKESA-N 2 0 272.393 -0.443 20 0 CBADRP C[C@H](C[NH2+]Cc1cnn(C)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445506440 912680154 /nfs/dbraw/zinc/68/01/54/912680154.db2.gz WZCAHCPFRFRJDH-DGCLKSJQSA-N 2 0 279.388 -0.034 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)C[NH+]1CCCC1 ZINC001445505158 912679171 /nfs/dbraw/zinc/67/91/71/912679171.db2.gz TUKAYUUMIVLZOW-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001445646096 912725817 /nfs/dbraw/zinc/72/58/17/912725817.db2.gz JDBIOKJVGFOLOC-RWMBFGLXSA-N 2 0 287.404 -0.570 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001445866623 912774972 /nfs/dbraw/zinc/77/49/72/912774972.db2.gz HKEHLUBSNAUOJN-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H](C[N@H+](C)CCn1cncn1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001445869154 912777290 /nfs/dbraw/zinc/77/72/90/912777290.db2.gz MNUHWHFRNRWHMM-STQMWFEESA-N 2 0 294.403 -0.334 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001445932612 912781732 /nfs/dbraw/zinc/78/17/32/912781732.db2.gz GGZYCCCEEGGUMA-NWDGAFQWSA-N 2 0 282.388 -0.689 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001445932609 912784687 /nfs/dbraw/zinc/78/46/87/912784687.db2.gz GGZYCCCEEGGUMA-NEPJUHHUSA-N 2 0 282.388 -0.689 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001445932616 912784792 /nfs/dbraw/zinc/78/47/92/912784792.db2.gz GGZYCCCEEGGUMA-VXGBXAGGSA-N 2 0 282.388 -0.689 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001445989450 912797120 /nfs/dbraw/zinc/79/71/20/912797120.db2.gz PWWBQCRKFKFVOH-AAEUAGOBSA-N 2 0 296.415 -0.299 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1(NCc2cnon2)CC1 ZINC001446150681 912826557 /nfs/dbraw/zinc/82/65/57/912826557.db2.gz COGOYBIDTMNKAC-NSHDSACASA-N 2 0 279.344 -0.098 20 0 CBADRP C[C@@H]1CCCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)[C@@H]1C[NH3+] ZINC000911825264 884597104 /nfs/dbraw/zinc/59/71/04/884597104.db2.gz NTOJPQKFXHCXFC-FRRDWIJNSA-N 2 0 296.415 -0.231 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCO)CCCO1)[NH+](C)C ZINC001150350161 884676435 /nfs/dbraw/zinc/67/64/35/884676435.db2.gz AIULVNDIZCGEHS-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176565788 884704213 /nfs/dbraw/zinc/70/42/13/884704213.db2.gz XHVZGVHOVWNKML-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001176573741 884704272 /nfs/dbraw/zinc/70/42/72/884704272.db2.gz OHQZGKHTKNNSCL-GFCCVEGCSA-N 2 0 284.404 -0.168 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001200806462 884742686 /nfs/dbraw/zinc/74/26/86/884742686.db2.gz QVHOAWJGNQBYFZ-KGLIPLIRSA-N 2 0 299.415 -0.330 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001210810678 884765560 /nfs/dbraw/zinc/76/55/60/884765560.db2.gz CKOIEHINGFSTPD-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001210788636 884765932 /nfs/dbraw/zinc/76/59/32/884765932.db2.gz HAFDMLBVEZQBCH-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CCOC(=O)[C@H]1C[NH2+]CCN1C[C@H]1CCCC[NH2+]1 ZINC001211354850 884771703 /nfs/dbraw/zinc/77/17/03/884771703.db2.gz RJURMPWDFMKNDQ-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374410 884777966 /nfs/dbraw/zinc/77/79/66/884777966.db2.gz FVBFGGUELRGKNM-VXGBXAGGSA-N 2 0 273.377 -0.864 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219794090 884792403 /nfs/dbraw/zinc/79/24/03/884792403.db2.gz QIOFNTHYGCEANL-ZDUSSCGKSA-N 3 0 284.404 -0.971 20 0 CBADRP O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1C[C@H]1CC[NH2+]C1 ZINC001326051601 884885453 /nfs/dbraw/zinc/88/54/53/884885453.db2.gz CQLKZXGUDIQFFJ-JOYOIKCWSA-N 2 0 252.318 -0.730 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC001326049122 884885938 /nfs/dbraw/zinc/88/59/38/884885938.db2.gz ZGRQLGJGYZCEEY-LLVKDONJSA-N 2 0 280.376 -0.159 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)nn1 ZINC001326075759 884899983 /nfs/dbraw/zinc/89/99/83/884899983.db2.gz AKJLXOZPFDSRAE-LLVKDONJSA-N 2 0 280.376 -0.254 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001326146229 884921063 /nfs/dbraw/zinc/92/10/63/884921063.db2.gz FKAGGRJELJOTBP-GARJFASQSA-N 2 0 270.377 -0.561 20 0 CBADRP COCCOC[C@H](O)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC001326146484 884924347 /nfs/dbraw/zinc/92/43/47/884924347.db2.gz KMDSWZREAUIAHD-UONOGXRCSA-N 2 0 289.420 -0.764 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCC(C[NH3+])CC2)C1 ZINC001326187847 884937829 /nfs/dbraw/zinc/93/78/29/884937829.db2.gz KYDFCTIEGQXYAT-ZDUSSCGKSA-N 3 0 268.405 -0.146 20 0 CBADRP C[C@@]1(CN2CCN([C@H]3CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC001326237307 884953200 /nfs/dbraw/zinc/95/32/00/884953200.db2.gz VVNPBRHIQOTKIC-UONOGXRCSA-N 2 0 252.406 -0.035 20 0 CBADRP C[NH2+][C@H](C(=O)N1CCC([NH2+]C)CC1)c1cnn(C)c1 ZINC001326256883 884959908 /nfs/dbraw/zinc/95/99/08/884959908.db2.gz BMYZUUNJGZGLIT-LBPRGKRZSA-N 2 0 265.361 -0.109 20 0 CBADRP [NH3+]CCCOC1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC001326276793 884967908 /nfs/dbraw/zinc/96/79/08/884967908.db2.gz XGVIFRGZKGOJAV-UHFFFAOYSA-N 3 0 270.421 -0.279 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC001326309587 884979310 /nfs/dbraw/zinc/97/93/10/884979310.db2.gz OMMSXUVMVKILKA-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP [NH3+]CC[C@@H]1CCCCN1CC(=O)N1CC[NH2+]CC1 ZINC001326311484 884985741 /nfs/dbraw/zinc/98/57/41/884985741.db2.gz ZWSAXYFZPLUFHJ-LBPRGKRZSA-N 2 0 254.378 -0.379 20 0 CBADRP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC001326346280 884995842 /nfs/dbraw/zinc/99/58/42/884995842.db2.gz CRDAYQRPTIOWDX-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC001326346282 884999001 /nfs/dbraw/zinc/99/90/01/884999001.db2.gz CRDAYQRPTIOWDX-VXGBXAGGSA-N 2 0 255.362 -0.177 20 0 CBADRP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC001326346281 884999109 /nfs/dbraw/zinc/99/91/09/884999109.db2.gz CRDAYQRPTIOWDX-RYUDHWBXSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH2+]CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001326361546 885003568 /nfs/dbraw/zinc/00/35/68/885003568.db2.gz OITPVYOIGBWVPB-VIFPVBQESA-N 2 0 252.322 -0.848 20 0 CBADRP Cc1c(C(=O)N[C@H](C)C[NH3+])nnn1C1CC[NH2+]CC1 ZINC001326375741 885010507 /nfs/dbraw/zinc/01/05/07/885010507.db2.gz PAHCINHCTKVQCW-MRVPVSSYSA-N 2 0 266.349 -0.412 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001446458692 912888619 /nfs/dbraw/zinc/88/86/19/912888619.db2.gz GDYDTDDHLJZBMF-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1 ZINC001326439067 885026900 /nfs/dbraw/zinc/02/69/00/885026900.db2.gz USKMMHYZRZWTSW-LBPRGKRZSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001446458688 912889844 /nfs/dbraw/zinc/88/98/44/912889844.db2.gz GDYDTDDHLJZBMF-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)[C@H](C(=O)N1CCC(O)(C[NH3+])CC1)[C@@H](C)[NH3+] ZINC001326452409 885034131 /nfs/dbraw/zinc/03/41/31/885034131.db2.gz HNYAYMLXAZIUML-MNOVXSKESA-N 2 0 257.378 -0.082 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)N(C)C ZINC001446459574 912891349 /nfs/dbraw/zinc/89/13/49/912891349.db2.gz YZBUGMPXQRCSQC-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP NC(=O)CC[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC001326583392 885074938 /nfs/dbraw/zinc/07/49/38/885074938.db2.gz IIXOJGZSTWVBQI-ZDUSSCGKSA-N 2 0 268.405 -0.131 20 0 CBADRP NC(=O)CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001326600302 885080728 /nfs/dbraw/zinc/08/07/28/885080728.db2.gz VKGLSHQUUVTLJQ-NEPJUHHUSA-N 2 0 255.362 -0.171 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC001326601752 885085233 /nfs/dbraw/zinc/08/52/33/885085233.db2.gz PCORYBVQQNRSEJ-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC001326626597 885096035 /nfs/dbraw/zinc/09/60/35/885096035.db2.gz KLSRILKMJDEVMW-LBPRGKRZSA-N 2 0 271.361 -0.798 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCO)CCC1 ZINC001326798980 885154511 /nfs/dbraw/zinc/15/45/11/885154511.db2.gz QISUOEUWRCSFGQ-LLVKDONJSA-N 2 0 255.362 -0.299 20 0 CBADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC001326807367 885159948 /nfs/dbraw/zinc/15/99/48/885159948.db2.gz NDZDVWPZQXVJOQ-UPJWGTAASA-N 2 0 296.415 -0.489 20 0 CBADRP [NH3+]CC1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC001326819947 885165185 /nfs/dbraw/zinc/16/51/85/885165185.db2.gz CEDFYMMGPBSCIR-LLVKDONJSA-N 2 0 268.361 -0.948 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccnc(C[NH3+])c2)CCO1 ZINC001326833739 885168530 /nfs/dbraw/zinc/16/85/30/885168530.db2.gz GPYBIUSIUYSKQL-JOYOIKCWSA-N 2 0 264.329 -0.272 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]CCCO)C2)CC[N@@H+]1C ZINC001326979840 885209402 /nfs/dbraw/zinc/20/94/02/885209402.db2.gz QULSUOVWAIIYFU-MGPQQGTHSA-N 2 0 299.415 -0.474 20 0 CBADRP O=C(C[N@@H+]1CCC[C@H]2COCC[C@@H]21)N1CC[NH2+]CC1 ZINC001327086715 885254008 /nfs/dbraw/zinc/25/40/08/885254008.db2.gz GKVWFIFBNKMNAP-STQMWFEESA-N 2 0 267.373 -0.081 20 0 CBADRP C[C@H](CCC[NH3+])NC(=O)c1cn(CCC[NH3+])nn1 ZINC001327105498 885258114 /nfs/dbraw/zinc/25/81/14/885258114.db2.gz SKJKCABAROFQLU-SECBINFHSA-N 2 0 254.338 -0.516 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC001327129681 885263828 /nfs/dbraw/zinc/26/38/28/885263828.db2.gz AFKAWJJCHHLOGK-YPMHNXCESA-N 2 0 267.373 -0.312 20 0 CBADRP CCN1CC[NH+](CCCCNC(=O)C[NH2+]C)CC1 ZINC001327196010 885285506 /nfs/dbraw/zinc/28/55/06/885285506.db2.gz MAOIPWHRXIXIRV-UHFFFAOYSA-N 2 0 256.394 -0.260 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cn(CC[NH3+])nn2)C1 ZINC001327563454 885407776 /nfs/dbraw/zinc/40/77/76/885407776.db2.gz SBSQSVFHWALDGG-UWVGGRQHSA-N 2 0 266.349 -0.564 20 0 CBADRP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCC[NH2+]CC1 ZINC001327562042 885408494 /nfs/dbraw/zinc/40/84/94/885408494.db2.gz IESHZWDRWQKNCN-SNVBAGLBSA-N 2 0 263.345 -0.078 20 0 CBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC001327562133 885408680 /nfs/dbraw/zinc/40/86/80/885408680.db2.gz JHPNPMLWFKMISD-WZRBSPASSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@]12COC[C@H]1C[N@H+](CC(=O)N1CC[NH2+]CC1)C2 ZINC001327560907 885408740 /nfs/dbraw/zinc/40/87/40/885408740.db2.gz AFDTYKKKARXVGF-YPMHNXCESA-N 2 0 253.346 -0.614 20 0 CBADRP CN(CCC[NH3+])C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001327570619 885410180 /nfs/dbraw/zinc/41/01/80/885410180.db2.gz TYMRZQIPXLOSGF-UHFFFAOYSA-N 2 0 266.349 -0.377 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)NCC23CC(C2)C[NH2+]3)nn1 ZINC001327579221 885413474 /nfs/dbraw/zinc/41/34/74/885413474.db2.gz RCUBOJCSPCKWPJ-UHFFFAOYSA-N 2 0 278.360 -0.501 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])n1 ZINC001327579394 885413498 /nfs/dbraw/zinc/41/34/98/885413498.db2.gz UKIKERUXNLYTFN-BDAKNGLRSA-N 2 0 265.317 -0.616 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC001327578689 885414802 /nfs/dbraw/zinc/41/48/02/885414802.db2.gz KQPUJNHFHXZOED-OUAUKWLOSA-N 2 0 253.346 -0.392 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001327595699 885424135 /nfs/dbraw/zinc/42/41/35/885424135.db2.gz AVLZCGFLKNNZOO-DTWKUNHWSA-N 2 0 251.334 -0.189 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC001327660151 885444654 /nfs/dbraw/zinc/44/46/54/885444654.db2.gz XPGNJRZHPKGKNW-LKSINWNRSA-N 3 0 266.389 -0.475 20 0 CBADRP OC[C@H]1[C@@H]2C[NH+](CCOCC[N@H+]3C[C@H]4[C@H](CO)[C@H]4C3)C[C@H]12 ZINC001327729689 885461520 /nfs/dbraw/zinc/46/15/20/885461520.db2.gz IYCKHGGXNUAFGG-FRMPLNAESA-N 2 0 296.411 -0.657 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001446758166 912941371 /nfs/dbraw/zinc/94/13/71/912941371.db2.gz NEYGQVWMQJKUNB-OCCSQVGLSA-N 2 0 299.415 -0.596 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC001327919580 885529045 /nfs/dbraw/zinc/52/90/45/885529045.db2.gz TVIXCTLUZBIOGH-OLZOCXBDSA-N 2 0 296.415 -0.310 20 0 CBADRP CCN1CC[NH+](CCCC[NH2+]CCC(=O)NC(N)=O)CC1 ZINC001327977601 885545390 /nfs/dbraw/zinc/54/53/90/885545390.db2.gz IKAUKOWWMCMEQR-UHFFFAOYSA-N 2 0 299.419 -0.421 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001328073132 885564691 /nfs/dbraw/zinc/56/46/91/885564691.db2.gz UXBSQYPLZMDDCA-GHMZBOCLSA-N 2 0 253.346 -0.295 20 0 CBADRP CC[C@]1(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC[NH2+]C1 ZINC001328236110 885609164 /nfs/dbraw/zinc/60/91/64/885609164.db2.gz MSGMNFFJSYQNKX-LOWVWBTDSA-N 2 0 255.362 -0.049 20 0 CBADRP CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001446801009 912954821 /nfs/dbraw/zinc/95/48/21/912954821.db2.gz ZVIXTNQVVUTQRX-UKRRQHHQSA-N 2 0 299.415 -0.330 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC001328318653 885633307 /nfs/dbraw/zinc/63/33/07/885633307.db2.gz YSKBHXRVZQZMIN-UTUOFQBUSA-N 2 0 253.346 -0.297 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001328334005 885639993 /nfs/dbraw/zinc/63/99/93/885639993.db2.gz YZQMQPHDAPXWEQ-OUAUKWLOSA-N 2 0 268.361 -0.902 20 0 CBADRP C(C1CC[NH2+]CC1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001328412213 885678649 /nfs/dbraw/zinc/67/86/49/885678649.db2.gz GUUPTGDLCPAFCQ-AWEZNQCLSA-N 3 0 252.406 -0.035 20 0 CBADRP [NH3+]CC[C@@H]1CCCCN1C(=O)c1cn(CC[NH3+])nn1 ZINC001328442931 885687723 /nfs/dbraw/zinc/68/77/23/885687723.db2.gz MCNJAHSMMJOJPF-JTQLQIEISA-N 2 0 266.349 -0.420 20 0 CBADRP [NH3+]CCOCC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001328442397 885688215 /nfs/dbraw/zinc/68/82/15/885688215.db2.gz HNGKTGVUGUABJY-UHFFFAOYSA-N 2 0 299.415 -0.031 20 0 CBADRP CC[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1CCOC1 ZINC001328490106 885706531 /nfs/dbraw/zinc/70/65/31/885706531.db2.gz IBGHVDMRDSHOAQ-LBPRGKRZSA-N 2 0 255.362 -0.223 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001328773638 885809451 /nfs/dbraw/zinc/80/94/51/885809451.db2.gz XAJINDRGHDJKPH-CHWSQXEVSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)CC[NH+](C)C ZINC001328842067 885829265 /nfs/dbraw/zinc/82/92/65/885829265.db2.gz RGJSBHSYWYPLTD-DCAQKATOSA-N 2 0 260.357 -0.576 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC001328845745 885829789 /nfs/dbraw/zinc/82/97/89/885829789.db2.gz DMZOMQDYWJWTKZ-NWDGAFQWSA-N 2 0 267.373 -0.171 20 0 CBADRP CC(C)(CC[NH3+])NC(=O)c1cn(CCC[NH3+])nn1 ZINC001329129076 885942794 /nfs/dbraw/zinc/94/27/94/885942794.db2.gz ZODHZJYSWMPPPV-UHFFFAOYSA-N 2 0 254.338 -0.516 20 0 CBADRP Cn1cc(CCC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cn1 ZINC001329143836 885949140 /nfs/dbraw/zinc/94/91/40/885949140.db2.gz XBLHFPAGOAHNEQ-HNNXBMFYSA-N 2 0 295.431 -0.449 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(CC(=O)N1CC[NH2+]CC1)C2 ZINC001329222471 885971835 /nfs/dbraw/zinc/97/18/35/885971835.db2.gz NBLPNFRDHBCCRH-OKILXGFUSA-N 2 0 266.389 -0.650 20 0 CBADRP c1c(C[C@@H]2CC[NH2+]C2)nnn1C[C@H]1C[NH2+]CCO1 ZINC001329244861 885979206 /nfs/dbraw/zinc/97/92/06/885979206.db2.gz FUCUWHBZUKKGBD-CMPLNLGQSA-N 2 0 251.334 -0.582 20 0 CBADRP O=C(C[NH+]1CCCC1)NCCN1CCC([NH2+]CCO)CC1 ZINC001446994675 912997249 /nfs/dbraw/zinc/99/72/49/912997249.db2.gz AYHUZMQAUBSQEA-UHFFFAOYSA-N 2 0 298.431 -0.755 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001329446829 886074204 /nfs/dbraw/zinc/07/42/04/886074204.db2.gz KJPHQVAQAJYHLF-GHMZBOCLSA-N 2 0 282.388 -0.608 20 0 CBADRP C[NH2+][C@@H](C(=O)N1CCC([NH3+])CC1)c1cnn(C)c1 ZINC001329464984 886079727 /nfs/dbraw/zinc/07/97/27/886079727.db2.gz FGWJLEABSOIYFG-LLVKDONJSA-N 2 0 251.334 -0.370 20 0 CBADRP C[NH2+]C1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC001329484714 886090508 /nfs/dbraw/zinc/09/05/08/886090508.db2.gz TZVXODIWDGGLBH-LBPRGKRZSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CC(=O)N1CC[NH2+]CC1 ZINC001329490558 886092395 /nfs/dbraw/zinc/09/23/95/886092395.db2.gz MSJRLQDVRIKTMV-YHWZYXNKSA-N 3 0 266.389 -0.238 20 0 CBADRP C[C@@H]1C[C@@H](C)N(CC(=O)N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001329498722 886096429 /nfs/dbraw/zinc/09/64/29/886096429.db2.gz HYQOTOMRIHKKEM-JHJVBQTASA-N 3 0 268.405 -0.277 20 0 CBADRP Cn1cncc1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001329614944 886146918 /nfs/dbraw/zinc/14/69/18/886146918.db2.gz CGVUTMOOVIXCLC-ZDUSSCGKSA-N 2 0 267.377 -0.882 20 0 CBADRP COCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001447049817 913011769 /nfs/dbraw/zinc/01/17/69/913011769.db2.gz YQQUNZUICYZRQS-ZFWWWQNUSA-N 2 0 299.415 -0.472 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(C(=O)NOC)CC1 ZINC001329643924 886157357 /nfs/dbraw/zinc/15/73/57/886157357.db2.gz RJJQKGBVVFESKK-GFCCVEGCSA-N 2 0 259.350 -0.654 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCC[C@@H]2O)CC1 ZINC001329702912 886182293 /nfs/dbraw/zinc/18/22/93/886182293.db2.gz UFSPIZGVYIAFIB-AGIUHOORSA-N 2 0 257.378 -0.902 20 0 CBADRP [NH3+]C[C@H]1CN(CCN2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC001329702337 886182577 /nfs/dbraw/zinc/18/25/77/886182577.db2.gz PABXPKCQKWQBTI-WDEREUQCSA-N 2 0 280.338 -0.039 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC001329760626 886198940 /nfs/dbraw/zinc/19/89/40/886198940.db2.gz SFFXLGJJRMSHOO-ZDUSSCGKSA-N 2 0 285.388 -0.408 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC001329821310 886225677 /nfs/dbraw/zinc/22/56/77/886225677.db2.gz BFZLFTBHBGGOBZ-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001329838262 886232569 /nfs/dbraw/zinc/23/25/69/886232569.db2.gz OLCQNRJJJNQEIN-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](NC(=O)c1cn(CC[NH3+])nn1)[C@H]1CCC[NH2+]C1 ZINC001329878039 886253476 /nfs/dbraw/zinc/25/34/76/886253476.db2.gz KYFGQMCRHPPMHU-ZJUUUORDSA-N 2 0 266.349 -0.645 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001329925037 886277656 /nfs/dbraw/zinc/27/76/56/886277656.db2.gz WUAISIFFMNNFHP-RKDXNWHRSA-N 2 0 251.334 -0.046 20 0 CBADRP C[C@@]12COC[C@]1(C)C[N@@H+](CC(=O)N1CC[NH2+]CC1)C2 ZINC001329925341 886282069 /nfs/dbraw/zinc/28/20/69/886282069.db2.gz GPUNARXJWJSPKQ-OKILXGFUSA-N 2 0 267.373 -0.223 20 0 CBADRP CC[NH2+]CCCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001329925855 886282787 /nfs/dbraw/zinc/28/27/87/886282787.db2.gz OTPNOQOFFSMWRL-UHFFFAOYSA-N 2 0 280.376 -0.068 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001329946890 886294799 /nfs/dbraw/zinc/29/47/99/886294799.db2.gz ZRJLDEGJPKOLCN-GFCCVEGCSA-N 2 0 282.388 -0.510 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC001329949200 886295895 /nfs/dbraw/zinc/29/58/95/886295895.db2.gz IBMQXZXPOJAIII-RWMBFGLXSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H](O)C[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001330073417 886349518 /nfs/dbraw/zinc/34/95/18/886349518.db2.gz CCZPZXJFTKHJND-VXGBXAGGSA-N 2 0 269.389 -0.101 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001447196049 913035038 /nfs/dbraw/zinc/03/50/38/913035038.db2.gz GREMDRHLENRIFT-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]([NH3+])Cn1cc(CCN2CCC([NH3+])CC2)nn1 ZINC001330288941 886411763 /nfs/dbraw/zinc/41/17/63/886411763.db2.gz BCEMZEXKWVRMET-SNVBAGLBSA-N 2 0 252.366 -0.409 20 0 CBADRP O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCOC2(C[NH2+]C2)C1 ZINC001330600798 886496556 /nfs/dbraw/zinc/49/65/56/886496556.db2.gz ASWHYPAIVXSGLJ-NXEZZACHSA-N 2 0 262.313 -0.286 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC001330603259 886499482 /nfs/dbraw/zinc/49/94/82/886499482.db2.gz RVCAEIQIWUQIBU-SCZZXKLOSA-N 2 0 251.334 -0.264 20 0 CBADRP COC1CC(CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC001330609683 886501279 /nfs/dbraw/zinc/50/12/79/886501279.db2.gz YJXQAGMSZWNLGS-SHARSMKWSA-N 2 0 285.432 -0.001 20 0 CBADRP COC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001447303855 913053761 /nfs/dbraw/zinc/05/37/61/913053761.db2.gz KDKCRECXHRMINB-ZIAGYGMSSA-N 2 0 299.415 -0.066 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC001330859498 886597398 /nfs/dbraw/zinc/59/73/98/886597398.db2.gz GGHOGYQQOQFUKY-VHSXEESVSA-N 2 0 256.350 -0.950 20 0 CBADRP C[C@@H](NC(=O)C(=O)NCC[C@H](C)[NH3+])C1=CC[N@H+](C)CC1 ZINC001330859106 886598248 /nfs/dbraw/zinc/59/82/48/886598248.db2.gz BCVSOJBTXDUQGO-WDEREUQCSA-N 2 0 282.388 -0.394 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001447371384 913060713 /nfs/dbraw/zinc/06/07/13/913060713.db2.gz AJIBVDUAIYRWIP-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC001330871258 886607870 /nfs/dbraw/zinc/60/78/70/886607870.db2.gz RLLSLWUUFPORQF-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@H](CCC[NH2+]CC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001330912361 886622214 /nfs/dbraw/zinc/62/22/14/886622214.db2.gz XNQYFKWQRQMBSH-LLVKDONJSA-N 2 0 284.404 -0.312 20 0 CBADRP CCC1([NH3+])CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC001330969481 886639739 /nfs/dbraw/zinc/63/97/39/886639739.db2.gz RZIBFKLTHHOQBH-SECBINFHSA-N 2 0 254.334 -0.180 20 0 CBADRP [NH3+]CCCNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC001331024782 886650248 /nfs/dbraw/zinc/65/02/48/886650248.db2.gz ACHGFIDTCJQMDT-SSDOTTSWSA-N 2 0 288.302 -0.171 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001331052189 886660772 /nfs/dbraw/zinc/66/07/72/886660772.db2.gz BXWJAXANMSUCKR-SFHVURJKSA-N 2 0 275.418 -0.445 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)NCC1([NH3+])CCOCC1 ZINC001331053539 886660956 /nfs/dbraw/zinc/66/09/56/886660956.db2.gz PPRZZXYVOKTNTF-JTQLQIEISA-N 2 0 259.350 -0.637 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC001331091634 886671576 /nfs/dbraw/zinc/67/15/76/886671576.db2.gz OZMWMHXJYBQOCQ-UHFFFAOYSA-N 2 0 268.405 -0.166 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC001331104421 886676204 /nfs/dbraw/zinc/67/62/04/886676204.db2.gz SXCSDYZKMKQLGS-STQMWFEESA-N 2 0 294.399 -0.450 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001331115070 886680504 /nfs/dbraw/zinc/68/05/04/886680504.db2.gz SZFOYIVLNTVQPW-ZYHUDNBSSA-N 2 0 282.388 -0.417 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001331167626 886708766 /nfs/dbraw/zinc/70/87/66/886708766.db2.gz ONTWTOVKCYHRGX-JOCQHMNTSA-N 2 0 296.415 -0.312 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331169555 886708814 /nfs/dbraw/zinc/70/88/14/886708814.db2.gz WOYUUZDKVIFDHJ-TXEJJXNPSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C[NH+]1CCCC1 ZINC001331184078 886717703 /nfs/dbraw/zinc/71/77/03/886717703.db2.gz DYGVXQZVMBFEJS-AVGNSLFASA-N 2 0 296.415 -0.312 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001331197941 886722243 /nfs/dbraw/zinc/72/22/43/886722243.db2.gz SALORSRQQXHEGY-AVGNSLFASA-N 2 0 294.399 -0.463 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001331197945 886723925 /nfs/dbraw/zinc/72/39/25/886723925.db2.gz SALORSRQQXHEGY-JHJVBQTASA-N 2 0 294.399 -0.463 20 0 CBADRP [NH3+][C@H]1CCCN(Cc2cn(CC3C[NH2+]C3)nn2)C1 ZINC001331267135 886758451 /nfs/dbraw/zinc/75/84/51/886758451.db2.gz ICLCJHRAGFBDOU-NSHDSACASA-N 2 0 250.350 -0.579 20 0 CBADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]CCO)C1CC1 ZINC001331271800 886761861 /nfs/dbraw/zinc/76/18/61/886761861.db2.gz YKSMTCNTYQRLQD-OLZOCXBDSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001331319905 886774206 /nfs/dbraw/zinc/77/42/06/886774206.db2.gz QOJDJLYCGYZPMP-GARJFASQSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC001331318012 886774370 /nfs/dbraw/zinc/77/43/70/886774370.db2.gz CVEHDTDRPGOYNV-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC001331320780 886777593 /nfs/dbraw/zinc/77/75/93/886777593.db2.gz XSALKNAFPOVKLP-DCAQKATOSA-N 2 0 282.388 -0.419 20 0 CBADRP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001331406936 886796968 /nfs/dbraw/zinc/79/69/68/886796968.db2.gz PICCISDWSISZES-ZJUUUORDSA-N 2 0 256.350 -0.998 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@](CO)([NH2+]CCF)C2)C1 ZINC001447473819 913084222 /nfs/dbraw/zinc/08/42/22/913084222.db2.gz MNCCWQDLJKOACO-OCCSQVGLSA-N 2 0 287.379 -0.149 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC001331572986 886851620 /nfs/dbraw/zinc/85/16/20/886851620.db2.gz WAFPJSGSRUGACV-NWDGAFQWSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331616222 886867139 /nfs/dbraw/zinc/86/71/39/886867139.db2.gz AANQMSJSSMDWGI-AVGNSLFASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CCO1 ZINC001331690842 886911526 /nfs/dbraw/zinc/91/15/26/886911526.db2.gz WUSRLMUFAYESNL-ZRUFSTJUSA-N 2 0 259.325 -0.491 20 0 CBADRP CN(CCOCC[NH3+])C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC001331725218 886939212 /nfs/dbraw/zinc/93/92/12/886939212.db2.gz LQALVQVVXKHRGV-SNVBAGLBSA-N 2 0 281.360 -0.466 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H]2CNC(=O)C2)C1 ZINC001331791244 886985777 /nfs/dbraw/zinc/98/57/77/886985777.db2.gz MIUCLANEVZUIJN-AAEUAGOBSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001447624472 913101792 /nfs/dbraw/zinc/10/17/92/913101792.db2.gz SIAWHOAABVSMDW-CYBMUJFWSA-N 2 0 299.415 -0.594 20 0 CBADRP C[NH2+]CCOCCN(C)C[C@@H]1CCS(=O)(=O)C1 ZINC001331847520 887011421 /nfs/dbraw/zinc/01/14/21/887011421.db2.gz NUNXXWVQOAFPLD-NSHDSACASA-N 2 0 264.391 -0.411 20 0 CBADRP C[NH2+]CCOCCN(C)C[C@H]1CCS(=O)(=O)C1 ZINC001331847517 887012971 /nfs/dbraw/zinc/01/29/71/887012971.db2.gz NUNXXWVQOAFPLD-LLVKDONJSA-N 2 0 264.391 -0.411 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001331853460 887014848 /nfs/dbraw/zinc/01/48/48/887014848.db2.gz SFLKUFALJDWYIM-GFCCVEGCSA-N 2 0 282.388 -0.510 20 0 CBADRP C[N@H+](C[C@@H](O)Cn1cc(COCC[NH3+])nn1)C1CC1 ZINC001331897430 887036454 /nfs/dbraw/zinc/03/64/54/887036454.db2.gz SPODXIIHLBFHAM-GFCCVEGCSA-N 2 0 269.349 -0.792 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NCCN1CC=CC1 ZINC001331915011 887043120 /nfs/dbraw/zinc/04/31/20/887043120.db2.gz LRCIURVNOLADCA-UHFFFAOYSA-N 2 0 261.391 -0.271 20 0 CBADRP C[C@@H]1[C@@H]([NH2+]CCO)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001331920206 887045695 /nfs/dbraw/zinc/04/56/95/887045695.db2.gz VVQJXVUSRZHWAY-NEPJUHHUSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001331950635 887057916 /nfs/dbraw/zinc/05/79/16/887057916.db2.gz PEBTXMUQOJAUMM-DVVUODLYSA-N 2 0 266.349 -0.797 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001331958487 887061558 /nfs/dbraw/zinc/06/15/58/887061558.db2.gz RRTPMIFTNOLKEQ-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH2+][C@@H](C)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001331991239 887078609 /nfs/dbraw/zinc/07/86/09/887078609.db2.gz FXAPERBANULGRI-VIFPVBQESA-N 2 0 264.333 -0.567 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CC[NH+](C)C ZINC001332027412 887087512 /nfs/dbraw/zinc/08/75/12/887087512.db2.gz MJTARAPFBLEJIC-ZJUUUORDSA-N 2 0 256.350 -0.998 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)NCC[NH+]2CC=CC2)C1 ZINC001332093043 887107942 /nfs/dbraw/zinc/10/79/42/887107942.db2.gz JSBSQLHCYLIHBV-UHFFFAOYSA-N 2 0 266.389 -0.532 20 0 CBADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCC2C[NH2+]C2)C1(C)C ZINC001332178626 887143217 /nfs/dbraw/zinc/14/32/17/887143217.db2.gz FIXPOKPDVDNOOD-GWCFXTLKSA-N 2 0 255.362 -0.146 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)n1 ZINC001332239385 887167820 /nfs/dbraw/zinc/16/78/20/887167820.db2.gz UVRVKHYLNLUTAD-JBLDHEPKSA-N 2 0 263.345 -0.009 20 0 CBADRP C[C@@H](CCC[NH3+])NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001332243396 887168118 /nfs/dbraw/zinc/16/81/18/887168118.db2.gz OCTIIQIRIPJLLE-UWVGGRQHSA-N 2 0 256.350 -0.902 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1CC12CC[NH2+]CC2 ZINC001332283078 887183185 /nfs/dbraw/zinc/18/31/85/887183185.db2.gz XZYWJKMFQKSVPV-GHMZBOCLSA-N 2 0 253.346 -0.519 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001332331037 887205607 /nfs/dbraw/zinc/20/56/07/887205607.db2.gz GVYIQTOPGBDEHF-XQQFMLRXSA-N 2 0 296.415 -0.171 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1 ZINC001332333493 887207343 /nfs/dbraw/zinc/20/73/43/887207343.db2.gz CBUFNOLOXZGZDF-DGORSVRFSA-N 2 0 253.346 -0.563 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)C1 ZINC001332333499 887207461 /nfs/dbraw/zinc/20/74/61/887207461.db2.gz CBUFNOLOXZGZDF-HTFCKZLJSA-N 2 0 253.346 -0.563 20 0 CBADRP OCC[NH2+]C1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001332334316 887209753 /nfs/dbraw/zinc/20/97/53/887209753.db2.gz KGTRZYMKVULCHZ-CYBMUJFWSA-N 2 0 269.389 -0.589 20 0 CBADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1 ZINC001332414668 887268581 /nfs/dbraw/zinc/26/85/81/887268581.db2.gz AUFRULDNHWTOEU-NSHDSACASA-N 3 0 254.378 -0.523 20 0 CBADRP C[C@@H]1CCN(CC(=O)N2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC001332423542 887273338 /nfs/dbraw/zinc/27/33/38/887273338.db2.gz DVJBEABCTMHAPR-NEPJUHHUSA-N 2 0 254.378 -0.665 20 0 CBADRP C[NH2+]CCCN1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332425156 887274509 /nfs/dbraw/zinc/27/45/09/887274509.db2.gz WHAXXXWBTWAVAV-KBPBESRZSA-N 2 0 295.431 -0.184 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)CCCO1 ZINC001332435692 887282581 /nfs/dbraw/zinc/28/25/81/887282581.db2.gz KBSMJBOFHPNBIG-WZRBSPASSA-N 2 0 253.346 -0.438 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)C[C@H]2[NH3+])cn1 ZINC001332448910 887289405 /nfs/dbraw/zinc/28/94/05/887289405.db2.gz BVIBUUWMVXUFHI-TUAOUCFPSA-N 2 0 263.345 -0.575 20 0 CBADRP [NH3+]C1CCN(Cc2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC001332508360 887329525 /nfs/dbraw/zinc/32/95/25/887329525.db2.gz XCMOGERBOZOFCC-LBPRGKRZSA-N 2 0 264.377 -0.047 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC001332723688 887418041 /nfs/dbraw/zinc/41/80/41/887418041.db2.gz KCJUDLMOPHUXHF-YUMQZZPRSA-N 2 0 252.309 -0.636 20 0 CBADRP CCC(=O)N1CCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC001332816883 887438125 /nfs/dbraw/zinc/43/81/25/887438125.db2.gz YFZVDEDNSMBGJA-SRVKXCTJSA-N 2 0 255.362 -0.219 20 0 CBADRP C[C@H](NC(=O)CNC(C[NH3+])C[NH3+])c1cccs1 ZINC001332816653 887438153 /nfs/dbraw/zinc/43/81/53/887438153.db2.gz VLVLNQLXUVOGRB-QMMMGPOBSA-N 2 0 256.375 -0.199 20 0 CBADRP CS(=O)(=O)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001332878720 887458203 /nfs/dbraw/zinc/45/82/03/887458203.db2.gz MNUWZIHWVHCGAU-OPRDCNLKSA-N 2 0 250.364 -0.749 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC001332946084 887484005 /nfs/dbraw/zinc/48/40/05/887484005.db2.gz SRJLMWPBJWRFOK-RWMBFGLXSA-N 2 0 296.415 -0.360 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001332959743 887489883 /nfs/dbraw/zinc/48/98/83/887489883.db2.gz CJGZDOFRKCDPLN-YVECIDJPSA-N 2 0 268.405 -0.088 20 0 CBADRP CCN1CCO[C@@H](C(=O)N(C)C2CC([NH2+]CCCO)C2)C1 ZINC001333155090 887542088 /nfs/dbraw/zinc/54/20/88/887542088.db2.gz YCFUJYRWEORMKN-JXQTWKCFSA-N 2 0 299.415 -0.332 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCC(O)(C[NH3+])CC1 ZINC001333184200 887555157 /nfs/dbraw/zinc/55/51/57/887555157.db2.gz STZQINIPKTYXSB-SNVBAGLBSA-N 2 0 255.362 -0.456 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC001333237943 887566413 /nfs/dbraw/zinc/56/64/13/887566413.db2.gz WCUGJWMVUSNWRQ-ZJUUUORDSA-N 2 0 254.334 -0.310 20 0 CBADRP CCN(C(=O)[C@@H]([NH3+])CCC(=O)OC)[C@H]1CC[NH2+]C1 ZINC001333274247 887578528 /nfs/dbraw/zinc/57/85/28/887578528.db2.gz ZRDOEOSWJCQART-UWVGGRQHSA-N 2 0 257.334 -0.523 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001333279489 887582275 /nfs/dbraw/zinc/58/22/75/887582275.db2.gz LOXBQZUZIWJERS-AATLWQCWSA-N 2 0 259.300 -0.045 20 0 CBADRP C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1=CC[N@H+](C)CC1 ZINC001333404768 887623593 /nfs/dbraw/zinc/62/35/93/887623593.db2.gz ICQLPNAMJPYYCU-WZRBSPASSA-N 2 0 294.399 -0.394 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001333448804 887645642 /nfs/dbraw/zinc/64/56/42/887645642.db2.gz RZMCGIFHIKIBEZ-HAQNSBGRSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC001333548013 887687395 /nfs/dbraw/zinc/68/73/95/887687395.db2.gz KTUZIIWFZGJFTK-SRVKXCTJSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@H](CO)[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001333621853 887720536 /nfs/dbraw/zinc/72/05/36/887720536.db2.gz IBZCOAYLHBLLCI-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001333627019 887722908 /nfs/dbraw/zinc/72/29/08/887722908.db2.gz VDMOKWZGEJIAQW-TUAOUCFPSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@]1(NC(=O)c2cn(CCCC[NH3+])nn2)CC[NH2+]C1 ZINC001333654720 887734352 /nfs/dbraw/zinc/73/43/52/887734352.db2.gz KYQUYLCWFDLMPG-LBPRGKRZSA-N 2 0 266.349 -0.501 20 0 CBADRP CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001447949882 913174431 /nfs/dbraw/zinc/17/44/31/913174431.db2.gz TZFUVVBTGJKRAS-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C ZINC001333670099 887740613 /nfs/dbraw/zinc/74/06/13/887740613.db2.gz LMZJOIMAEGLTIJ-LMLFDSFASA-N 2 0 255.362 -0.147 20 0 CBADRP C(C[NH+]1CCC(N[C@H]2CC[NH2+]C2)CC1)N1CCOCC1 ZINC001333675975 887743486 /nfs/dbraw/zinc/74/34/86/887743486.db2.gz YQZWUKVPIDRXJA-HNNXBMFYSA-N 2 0 282.432 -0.266 20 0 CBADRP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001333909958 887807033 /nfs/dbraw/zinc/80/70/33/887807033.db2.gz PBBKLMLWLQUUDB-HAQNSBGRSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001333943801 887815019 /nfs/dbraw/zinc/81/50/19/887815019.db2.gz ORWUXVQVHNQQMZ-ZDEQEGDKSA-N 2 0 296.415 -0.171 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001333943800 887815223 /nfs/dbraw/zinc/81/52/23/887815223.db2.gz ORWUXVQVHNQQMZ-LPWJVIDDSA-N 2 0 296.415 -0.171 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001333940839 887815479 /nfs/dbraw/zinc/81/54/79/887815479.db2.gz PKHAUYAVWZGSOJ-QWRGUYRKSA-N 2 0 294.399 -0.323 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001333943798 887816346 /nfs/dbraw/zinc/81/63/46/887816346.db2.gz ORWUXVQVHNQQMZ-CYDGBPFRSA-N 2 0 296.415 -0.171 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)C1 ZINC001334338666 887925597 /nfs/dbraw/zinc/92/55/97/887925597.db2.gz QEVFEMDKDLWSCZ-XGUBFFRZSA-N 2 0 282.432 -0.451 20 0 CBADRP NC(=O)C1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001334339692 887928424 /nfs/dbraw/zinc/92/84/24/887928424.db2.gz YOCTWFOQGZEABO-LLVKDONJSA-N 2 0 253.346 -0.438 20 0 CBADRP Cn1nnnc1CCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC001334707531 888291832 /nfs/dbraw/zinc/29/18/32/888291832.db2.gz KWRIGNCETJLOGL-FRRDWIJNSA-N 2 0 294.403 -0.111 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(CC(=O)N1CC[NH2+]CC1)C2 ZINC001334762024 888312895 /nfs/dbraw/zinc/31/28/95/888312895.db2.gz CWYVZBIUHFCRHQ-TUAOUCFPSA-N 2 0 252.362 -0.770 20 0 CBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC001334824177 888339712 /nfs/dbraw/zinc/33/97/12/888339712.db2.gz SHTWWHXCRZIQIJ-WOPDTQHZSA-N 2 0 255.362 -0.321 20 0 CBADRP CNC(=O)CC1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC001335189940 888437334 /nfs/dbraw/zinc/43/73/34/888437334.db2.gz FJQMSKFGXNHFNU-SRVKXCTJSA-N 2 0 255.362 -0.315 20 0 CBADRP C[C@@]1([NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCNC1=O ZINC001335288626 888486104 /nfs/dbraw/zinc/48/61/04/888486104.db2.gz HOBOPUUYXGLFFK-GXFFZTMASA-N 2 0 268.361 -0.948 20 0 CBADRP [NH3+]CCOCC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001335301324 888491158 /nfs/dbraw/zinc/49/11/58/888491158.db2.gz VSFGPVNWLPSCRC-UHFFFAOYSA-N 2 0 271.361 -0.667 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)NCC1([NH3+])CC1 ZINC001335352511 888514595 /nfs/dbraw/zinc/51/45/95/888514595.db2.gz XXHUWMPRCNLJIQ-UHFFFAOYSA-N 2 0 258.366 -0.255 20 0 CBADRP C[C@H](CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)[S@@](C)=O ZINC001335476605 888545242 /nfs/dbraw/zinc/54/52/42/888545242.db2.gz JNJVSCIEKHPZHN-VLXJIEOASA-N 2 0 291.461 -0.659 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)NCC[NH2+]C1CC1 ZINC001335537846 888561546 /nfs/dbraw/zinc/56/15/46/888561546.db2.gz NPXNOZKAKOTROE-LLVKDONJSA-N 2 0 256.350 -0.632 20 0 CBADRP C[NH2+]CCOCCNC(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001335587256 888573349 /nfs/dbraw/zinc/57/33/49/888573349.db2.gz DLXIMYYNGZDITH-MNOVXSKESA-N 2 0 258.366 -0.351 20 0 CBADRP [NH3+]C1CC2(C1)CC(NC(=O)NC[C@H]1COCC[NH2+]1)C2 ZINC001335593641 888576130 /nfs/dbraw/zinc/57/61/30/888576130.db2.gz WVTRNJIKDNEABY-FOBZMYGMSA-N 2 0 268.361 -0.456 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC001335611537 888581776 /nfs/dbraw/zinc/58/17/76/888581776.db2.gz VTEBTDQFSZCTQA-NSHDSACASA-N 2 0 255.366 -0.929 20 0 CBADRP C[C@H]1CN(C(=O)NCCOCCC[NH3+])CC[C@@H]1C[NH3+] ZINC001335616998 888583699 /nfs/dbraw/zinc/58/36/99/888583699.db2.gz DFWHXCBGMQOSNT-NWDGAFQWSA-N 2 0 272.393 -0.022 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)NCCN2CCC([NH3+])CC2)C1 ZINC001335623264 888586522 /nfs/dbraw/zinc/58/65/22/888586522.db2.gz NCUMLTBGIKMOHY-UMSPYCQHSA-N 2 0 269.393 -0.554 20 0 CBADRP C[N@@H+]1CCCC[C@H]1CNC(=O)N(CC[NH3+])CCO ZINC001335725516 888613597 /nfs/dbraw/zinc/61/35/97/888613597.db2.gz DXEVQZWHWFXRCA-NSHDSACASA-N 2 0 258.366 -0.567 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC001335740629 888619761 /nfs/dbraw/zinc/61/97/61/888619761.db2.gz WNNUZTJDUROYOC-NEPJUHHUSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC001335795886 888631744 /nfs/dbraw/zinc/63/17/44/888631744.db2.gz ZXVRSWLQNSOYCB-UPJWGTAASA-N 2 0 296.415 -0.360 20 0 CBADRP CC[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])C(C)(C)O)CC1 ZINC001335844093 888644536 /nfs/dbraw/zinc/64/45/36/888644536.db2.gz SMZRGJINPPCEHV-LLVKDONJSA-N 2 0 257.378 -0.067 20 0 CBADRP C[C@H](C[NH2+]C[C@H](O)C[C@@]1(O)CCOC1)C[NH+](C)C ZINC001335956027 888660380 /nfs/dbraw/zinc/66/03/80/888660380.db2.gz XZKWYEQKWBQAKK-UPJWGTAASA-N 2 0 260.378 -0.324 20 0 CBADRP O=C(CN1CCC(CO)CC1)NC12CC[NH+](CC1)C2 ZINC001336051986 888685554 /nfs/dbraw/zinc/68/55/54/888685554.db2.gz AEFWMJGMSYUESN-UHFFFAOYSA-N 2 0 267.373 -0.345 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N2CCC([NH3+])CC2)CC1 ZINC001336192244 888717161 /nfs/dbraw/zinc/71/71/61/888717161.db2.gz JLSKDWXJXDKHBP-UHFFFAOYSA-N 2 0 269.393 -0.458 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001336241058 888725735 /nfs/dbraw/zinc/72/57/35/888725735.db2.gz OTYWPQDWURGZRO-HBNTYKKESA-N 2 0 256.350 -0.586 20 0 CBADRP CN1CCN(C(=O)N[C@H]2C[C@H](C[NH3+])C2)[C@H](C[NH3+])C1 ZINC001336272452 888734116 /nfs/dbraw/zinc/73/41/16/888734116.db2.gz PPDAHZOGCLTZKO-GMTAPVOTSA-N 2 0 255.366 -0.992 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001336644950 888826875 /nfs/dbraw/zinc/82/68/75/888826875.db2.gz BJJJQDXZVZKTLK-SLEUVZQESA-N 2 0 296.415 -0.632 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001336650421 888832885 /nfs/dbraw/zinc/83/28/85/888832885.db2.gz UAZLVFVIWNXHHA-CYDGBPFRSA-N 2 0 296.415 -0.362 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC001336677947 888842579 /nfs/dbraw/zinc/84/25/79/888842579.db2.gz WJWSZYDGHHHINS-JTQLQIEISA-N 2 0 268.361 -0.996 20 0 CBADRP Cc1cncc(CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)n1 ZINC001336703656 888847867 /nfs/dbraw/zinc/84/78/67/888847867.db2.gz LXHNLZDCCYHSRU-OAHLLOKOSA-N 2 0 293.415 -0.475 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H]([NH3+])C2)cn1 ZINC001336709106 888852101 /nfs/dbraw/zinc/85/21/01/888852101.db2.gz QTRXQKDWJRWKEU-LLVKDONJSA-N 2 0 251.334 -0.382 20 0 CBADRP CC[NH2+]CCCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001336708342 888854059 /nfs/dbraw/zinc/85/40/59/888854059.db2.gz DOXNGGLXPSHTTC-GOSISDBHSA-N 2 0 275.418 -0.397 20 0 CBADRP CC[NH+]1CCN(CCC[NH2+]C[C@H](O)C2(O)CCC2)CC1 ZINC001336736298 888860483 /nfs/dbraw/zinc/86/04/83/888860483.db2.gz LTDAZIKEPPCBFC-AWEZNQCLSA-N 2 0 285.432 -0.121 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1c(C[NH3+])cnn1C ZINC001336731639 888861472 /nfs/dbraw/zinc/86/14/72/888861472.db2.gz IYAAYMMNLGFHPK-WPRPVWTQSA-N 2 0 251.334 -0.251 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001336742851 888864757 /nfs/dbraw/zinc/86/47/57/888864757.db2.gz RTCPSSMUNGNADN-RKDXNWHRSA-N 2 0 251.334 -0.094 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001336743059 888866063 /nfs/dbraw/zinc/86/60/63/888866063.db2.gz ULGLZSVMXAUSJW-VIFPVBQESA-N 2 0 266.349 -0.378 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CN3CCC2CC3)CC1 ZINC001336762803 888871879 /nfs/dbraw/zinc/87/18/79/888871879.db2.gz JDGQWOJXQJUXHK-HUUCEWRRSA-N 2 0 282.432 -0.722 20 0 CBADRP CN(CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)CC(F)F ZINC001336771572 888875528 /nfs/dbraw/zinc/87/55/28/888875528.db2.gz BXUHTNDMZXGCRC-LBPRGKRZSA-N 2 0 294.390 -0.619 20 0 CBADRP CN(C(=O)NCC[NH2+]C1CC1)C1(C[NH3+])CCOCC1 ZINC001336883351 888907838 /nfs/dbraw/zinc/90/78/38/888907838.db2.gz JRYUACUASCHJCS-UHFFFAOYSA-N 2 0 270.377 -0.112 20 0 CBADRP [NH3+][C@H](CNC(=O)N1CCNCC[NH2+]CC1)c1ccccc1 ZINC001336892634 888909918 /nfs/dbraw/zinc/90/99/18/888909918.db2.gz GFJTXWCXLSNTQP-CQSZACIVSA-N 2 0 291.399 -0.109 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC001336909019 888916556 /nfs/dbraw/zinc/91/65/56/888916556.db2.gz VJIOXXTZLKSUMJ-QWKFWESOSA-N 2 0 268.361 -0.632 20 0 CBADRP CN(C(=O)N[C@H]1CC[NH2+]C1)C1(C[NH3+])CCOCC1 ZINC001336909063 888916711 /nfs/dbraw/zinc/91/67/11/888916711.db2.gz WJUNVZKNSSOBLJ-JTQLQIEISA-N 2 0 256.350 -0.502 20 0 CBADRP CC[NH2+]CCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001336905763 888917079 /nfs/dbraw/zinc/91/70/79/888917079.db2.gz IXVZWJIBGFEFFH-CHWSQXEVSA-N 2 0 284.404 -0.164 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N(C)CCOCC[NH3+] ZINC001336924980 888921801 /nfs/dbraw/zinc/92/18/01/888921801.db2.gz AKXMVHTUMDRWIM-MNOVXSKESA-N 2 0 258.366 -0.541 20 0 CBADRP O=C(NCCC1=CC[NH2+]CC1)N1CCNCC[NH2+]CC1 ZINC001336919532 888921580 /nfs/dbraw/zinc/92/15/80/888921580.db2.gz WFDZQPZKDUYUQF-UHFFFAOYSA-N 2 0 281.404 -0.499 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001336920119 888922165 /nfs/dbraw/zinc/92/21/65/888922165.db2.gz AZZSPZMEYYSNAE-NXEZZACHSA-N 2 0 258.366 -0.129 20 0 CBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001336921170 888922834 /nfs/dbraw/zinc/92/28/34/888922834.db2.gz IIYXWHNPNDODKR-ZDUSSCGKSA-N 2 0 297.447 -0.031 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001336921169 888923108 /nfs/dbraw/zinc/92/31/08/888923108.db2.gz IIYXWHNPNDODKR-CYBMUJFWSA-N 2 0 297.447 -0.031 20 0 CBADRP CC1(C)CN(C(=O)NC[C@H]2C[NH2+]CCO2)C[C@@H]1[NH3+] ZINC001336923452 888923564 /nfs/dbraw/zinc/92/35/64/888923564.db2.gz PYAUPJJRHSFGEJ-ZJUUUORDSA-N 2 0 256.350 -0.647 20 0 CBADRP C[NH2+]CCN(C)C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001336940822 888929099 /nfs/dbraw/zinc/92/90/99/888929099.db2.gz DJMBDDAIIWGJIK-UHFFFAOYSA-N 2 0 285.436 -0.077 20 0 CBADRP COCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC001336978001 888941527 /nfs/dbraw/zinc/94/15/27/888941527.db2.gz OGVKLAIIDBTALV-WDEREUQCSA-N 2 0 259.350 -0.813 20 0 CBADRP C[N@@H+]1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1(C)C ZINC001337015479 888950004 /nfs/dbraw/zinc/95/00/04/888950004.db2.gz DSDXQGQZLWCEQI-QWRGUYRKSA-N 2 0 255.362 -0.097 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001337037543 888953035 /nfs/dbraw/zinc/95/30/35/888953035.db2.gz SPFFYYUBYGMYIO-VHSXEESVSA-N 2 0 256.350 -0.647 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCO1 ZINC001337043939 888953668 /nfs/dbraw/zinc/95/36/68/888953668.db2.gz QCCQZDLHVFHAFL-RMPHRYRLSA-N 2 0 268.361 -0.363 20 0 CBADRP CCN(C(=O)COC1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC001337096375 888963895 /nfs/dbraw/zinc/96/38/95/888963895.db2.gz ZNNNOAIUCGZNSO-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC001337420181 889005348 /nfs/dbraw/zinc/00/53/48/889005348.db2.gz HCUVYZJEDQIDMW-DGCLKSJQSA-N 2 0 294.399 -0.450 20 0 CBADRP CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC[NH2+]C1 ZINC001337420183 889006360 /nfs/dbraw/zinc/00/63/60/889006360.db2.gz HCUVYZJEDQIDMW-YPMHNXCESA-N 2 0 294.399 -0.450 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC[C@@H]21 ZINC001337517144 889027944 /nfs/dbraw/zinc/02/79/44/889027944.db2.gz XINJRWFNCRCOOM-NDBYEHHHSA-N 2 0 294.399 -0.608 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001337529796 889031275 /nfs/dbraw/zinc/03/12/75/889031275.db2.gz JREPUQRTNRKWGO-IJLUTSLNSA-N 2 0 282.388 -0.560 20 0 CBADRP [NH3+][C@@H]1CCCN(Cc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC001337621814 889057171 /nfs/dbraw/zinc/05/71/71/889057171.db2.gz YPQUDOPQYGTANC-ZYHUDNBSSA-N 2 0 250.350 -0.264 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001448492345 913309645 /nfs/dbraw/zinc/30/96/45/913309645.db2.gz BUELYJZOUCVYIM-DDHJBXDOSA-N 2 0 282.388 -0.704 20 0 CBADRP CC1(C)CN(c2ccnc(N)n2)CC[N@@H+]1CCO ZINC001337944461 889100835 /nfs/dbraw/zinc/10/08/35/889100835.db2.gz AUDBTRRIHJZALY-UHFFFAOYSA-N 2 0 251.334 -0.048 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001448518914 913313244 /nfs/dbraw/zinc/31/32/44/913313244.db2.gz AQVMRVRYVIQWIF-JHJVBQTASA-N 2 0 298.431 -0.053 20 0 CBADRP O=C(NC1CC[NH2+]CC1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001338370032 889148545 /nfs/dbraw/zinc/14/85/45/889148545.db2.gz XQDIPIJXLUXYSS-NSHDSACASA-N 2 0 253.346 -0.377 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)c1ccn(CCC[NH3+])n1 ZINC001338373173 889150579 /nfs/dbraw/zinc/15/05/79/889150579.db2.gz DRXCNOGCIXIKMX-SNVBAGLBSA-N 2 0 253.350 -0.040 20 0 CBADRP C[NH+]1CCN(CC[NH2+]C[C@@H](O)c2ccccn2)CC1 ZINC001338419034 889157244 /nfs/dbraw/zinc/15/72/44/889157244.db2.gz PEMJXTLJSBYCLT-CQSZACIVSA-N 2 0 264.373 -0.048 20 0 CBADRP CO[C@@]1(C)C[C@H]1[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001338567224 889175276 /nfs/dbraw/zinc/17/52/76/889175276.db2.gz MYCROEXXRYZDLJ-XQQFMLRXSA-N 2 0 257.378 -0.638 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CCNCC[NH2+]CC1 ZINC001338653196 889186673 /nfs/dbraw/zinc/18/66/73/889186673.db2.gz FFJPTQDWYLVWKF-GFCCVEGCSA-N 2 0 271.409 -0.436 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001338646799 889186693 /nfs/dbraw/zinc/18/66/93/889186693.db2.gz TZIIATPXCPHGFR-RYUDHWBXSA-N 2 0 272.393 -0.151 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC001338659676 889189374 /nfs/dbraw/zinc/18/93/74/889189374.db2.gz HYFZXJZFZXMYMX-GARJFASQSA-N 2 0 256.350 -0.633 20 0 CBADRP CCO[C@@H](CNC(=O)N1CC[C@@H]([NH3+])C1)C[NH+](C)C ZINC001338695406 889192341 /nfs/dbraw/zinc/19/23/41/889192341.db2.gz DICZUGXSRVUHIT-MNOVXSKESA-N 2 0 258.366 -0.304 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC001339716664 889313670 /nfs/dbraw/zinc/31/36/70/889313670.db2.gz WOSIMTWIGVHJAN-IVZWLZJFSA-N 2 0 257.334 -0.537 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C[NH+]1CCC(CO)CC1 ZINC001339711197 889315506 /nfs/dbraw/zinc/31/55/06/889315506.db2.gz VFTWMSSOXAXFIU-LLVKDONJSA-N 2 0 255.362 -0.489 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@@H](C)[C@H](O)C[NH2+]C)CC1 ZINC001340017220 889365915 /nfs/dbraw/zinc/36/59/15/889365915.db2.gz BUMHBKHFEZDDKW-CMPLNLGQSA-N 2 0 257.378 -0.197 20 0 CBADRP [NH3+]CCNCC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC001340034598 889368447 /nfs/dbraw/zinc/36/84/47/889368447.db2.gz VTGUNLAJMBDWGZ-UHFFFAOYSA-N 2 0 291.399 -0.290 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001340041466 889369333 /nfs/dbraw/zinc/36/93/33/889369333.db2.gz KCVXLHOZIBXFBO-BZPMIXESSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CO)C1 ZINC001340055999 889371534 /nfs/dbraw/zinc/37/15/34/889371534.db2.gz FZVLAHCXLOSIPW-GHMZBOCLSA-N 2 0 257.378 -0.067 20 0 CBADRP C[NH+](C)CCCOc1ccc(CNC(=O)[C@H]([NH3+])CO)cc1 ZINC001340078206 889379295 /nfs/dbraw/zinc/37/92/95/889379295.db2.gz VSVKFDBELJSXIE-CQSZACIVSA-N 2 0 295.383 -0.047 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)[C@@H](C)C[NH2+]1 ZINC001340127398 889388991 /nfs/dbraw/zinc/38/89/91/889388991.db2.gz AWMVFGCSCQZUAY-VOAKCMCISA-N 2 0 266.389 -0.417 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC(C)([NH3+])CC1 ZINC001340147753 889395663 /nfs/dbraw/zinc/39/56/63/889395663.db2.gz OMHLBUPDNBMECE-RYUDHWBXSA-N 2 0 266.389 -0.286 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC(C)([NH3+])CC1 ZINC001340147754 889395959 /nfs/dbraw/zinc/39/59/59/889395959.db2.gz OMHLBUPDNBMECE-VXGBXAGGSA-N 2 0 266.389 -0.286 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCOCC1 ZINC001340163173 889398623 /nfs/dbraw/zinc/39/86/23/889398623.db2.gz JDQXEDAAWAZJEH-UKKRHICBSA-N 2 0 253.346 -0.536 20 0 CBADRP C[C@@]1(C(=O)NCCC[NH+]2CCC(O)CC2)C[C@H](O)C[NH2+]1 ZINC001340166880 889400959 /nfs/dbraw/zinc/40/09/59/889400959.db2.gz FGWBCBVUTFAODG-JSGCOSHPSA-N 2 0 285.388 -0.938 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001340174053 889402044 /nfs/dbraw/zinc/40/20/44/889402044.db2.gz YAEXIZKUBGVNHW-SCRDCRAPSA-N 2 0 267.373 -0.320 20 0 CBADRP C[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1)C[NH+]1CCCC1 ZINC001340182988 889404675 /nfs/dbraw/zinc/40/46/75/889404675.db2.gz GRQUSNKTKZMZMB-MBNYWOFBSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH+](C)CCOCCNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340236882 889413832 /nfs/dbraw/zinc/41/38/32/889413832.db2.gz NLSFVOGEZCBCCV-UHFFFAOYSA-N 2 0 298.387 -0.421 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCC23CCC3)CCO1 ZINC001340268107 889416791 /nfs/dbraw/zinc/41/67/91/889416791.db2.gz XPRUPOTUOUGBLT-VXGBXAGGSA-N 2 0 267.373 -0.048 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC001340281711 889417483 /nfs/dbraw/zinc/41/74/83/889417483.db2.gz HXCXIXUNLHSDQW-NWDGAFQWSA-N 2 0 254.378 -0.523 20 0 CBADRP [NH3+][C@H](CO)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001340287096 889419896 /nfs/dbraw/zinc/41/98/96/889419896.db2.gz LOJHWUNSVXXSNL-UHTWSYAYSA-N 2 0 267.373 -0.219 20 0 CBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC001340311241 889422532 /nfs/dbraw/zinc/42/25/32/889422532.db2.gz HWSSQVKIORBQII-OUAUKWLOSA-N 2 0 257.378 -0.293 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C[C@H](O)C[NH3+])CC1 ZINC001340347683 889424687 /nfs/dbraw/zinc/42/46/87/889424687.db2.gz AVIWEQWEELDKOA-WCQYABFASA-N 2 0 269.389 -0.067 20 0 CBADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C[C@H](O)C[NH3+])CC1 ZINC001340347681 889424829 /nfs/dbraw/zinc/42/48/29/889424829.db2.gz AVIWEQWEELDKOA-AAEUAGOBSA-N 2 0 269.389 -0.067 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001340399973 889430558 /nfs/dbraw/zinc/43/05/58/889430558.db2.gz NFRCVVMSRBFPPD-AEJSXWLSSA-N 2 0 259.375 -0.686 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC[NH2+]CC1 ZINC001340461914 889433851 /nfs/dbraw/zinc/43/38/51/889433851.db2.gz KMIRXZVSSIIFID-NEPJUHHUSA-N 2 0 252.362 -0.803 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2[NH2+]CC23CCCC3)CCO1 ZINC001340530806 889443309 /nfs/dbraw/zinc/44/33/09/889443309.db2.gz PHUNCUPUWPGTON-GHMZBOCLSA-N 2 0 253.346 -0.295 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC001340542210 889445708 /nfs/dbraw/zinc/44/57/08/889445708.db2.gz VYFPNNABAVELFG-WCQYABFASA-N 2 0 287.404 -0.570 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001340615875 889454917 /nfs/dbraw/zinc/45/49/17/889454917.db2.gz PGXXRXNOHQSJJL-MNOVXSKESA-N 2 0 253.346 -0.282 20 0 CBADRP [NH3+]CCNCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001340616480 889457917 /nfs/dbraw/zinc/45/79/17/889457917.db2.gz RZEOUSGLFQCIGT-ZIAGYGMSSA-N 2 0 276.384 -0.203 20 0 CBADRP Cc1nc2c(n1CCO)CC[C@H](NC(=O)[C@@H](C)[NH3+])C2 ZINC001340666020 889463081 /nfs/dbraw/zinc/46/30/81/889463081.db2.gz CVCDHUVNZSYOLP-SCZZXKLOSA-N 2 0 266.345 -0.495 20 0 CBADRP C[C@@]1(C(=O)N2CCC(CC[NH3+])CC2)C[C@H](O)C[NH2+]1 ZINC001340684479 889465515 /nfs/dbraw/zinc/46/55/15/889465515.db2.gz JNNOYFWOKTVMPG-AAEUAGOBSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001340693458 889467039 /nfs/dbraw/zinc/46/70/39/889467039.db2.gz ZRPAJXFPQKYGII-NTZNESFSSA-N 2 0 255.362 -0.171 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001340704537 889470827 /nfs/dbraw/zinc/47/08/27/889470827.db2.gz LEMLZILLRSDWQW-NOHGZBONSA-N 2 0 255.362 -0.444 20 0 CBADRP C[C@@H](C(=O)NCC1(O)C[NH2+]C1)[C@H]([NH3+])c1ccccc1 ZINC001340711101 889471019 /nfs/dbraw/zinc/47/10/19/889471019.db2.gz ZFOSUCPKLBCZHY-PWSUYJOCSA-N 2 0 263.341 -0.227 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001340725307 889472890 /nfs/dbraw/zinc/47/28/90/889472890.db2.gz DPTJATQZEWBKFM-SDDRHHMPSA-N 2 0 255.362 -0.443 20 0 CBADRP O=C([C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1CCC[C@H]([NH2+]CCO)C1 ZINC001340728093 889473075 /nfs/dbraw/zinc/47/30/75/889473075.db2.gz PHSBMKPHQUGZRT-FIQHERPVSA-N 2 0 253.346 -0.833 20 0 CBADRP C[NH2+]CCCCC(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001340727277 889473197 /nfs/dbraw/zinc/47/31/97/889473197.db2.gz NSYYBXPECOOMJC-GFCCVEGCSA-N 2 0 257.378 -0.051 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC001340747191 889479591 /nfs/dbraw/zinc/47/95/91/889479591.db2.gz KDPXBVFHZRAJOY-GHMZBOCLSA-N 2 0 255.362 -0.585 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCCC[NH+](C)C ZINC001340771788 889481869 /nfs/dbraw/zinc/48/18/69/889481869.db2.gz AHOZBWARXYLHKH-LBPRGKRZSA-N 2 0 272.393 -0.456 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340762375 889482819 /nfs/dbraw/zinc/48/28/19/889482819.db2.gz FLKVMEVOBPDQIQ-UWVGGRQHSA-N 2 0 266.345 -0.167 20 0 CBADRP CC1(C)CC[NH2+]CCN1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001340781434 889484860 /nfs/dbraw/zinc/48/48/60/889484860.db2.gz XRROSTMOVKBYCW-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C1(C[NH3+])CC(O)C1 ZINC001340824388 889493425 /nfs/dbraw/zinc/49/34/25/889493425.db2.gz RJRSISYDQWWUPO-XSRFYTQQSA-N 2 0 257.378 -0.067 20 0 CBADRP [NH3+]CCNCC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001340824518 889493433 /nfs/dbraw/zinc/49/34/33/889493433.db2.gz PVVCIZQALUHTKK-CYBMUJFWSA-N 2 0 262.357 -0.635 20 0 CBADRP C[NH+]1CCC(CCNC(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001340838010 889494979 /nfs/dbraw/zinc/49/49/79/889494979.db2.gz FQMDLJJPXSUENK-UHFFFAOYSA-N 2 0 269.389 -0.066 20 0 CBADRP C[NH2+]C1(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)CCC1 ZINC001340868150 889500563 /nfs/dbraw/zinc/50/05/63/889500563.db2.gz TUFFTCHBYQBDDA-LLVKDONJSA-N 2 0 255.362 -0.299 20 0 CBADRP C[NH2+]C[C@@H](O)CN(C)C(=O)c1cccc(C[NH3+])c1 ZINC001340862969 889501703 /nfs/dbraw/zinc/50/17/03/889501703.db2.gz MQYZJOZMMZTZRK-GFCCVEGCSA-N 2 0 251.330 -0.202 20 0 CBADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)CNCC[NH3+])C1 ZINC001340880346 889502941 /nfs/dbraw/zinc/50/29/41/889502941.db2.gz LXLQLMYUMPEZNU-LBPRGKRZSA-N 2 0 256.394 -0.275 20 0 CBADRP C[C@@H](NC(=O)CNCC[NH3+])C1([NH+]2CCOCC2)CCCC1 ZINC001340880384 889503203 /nfs/dbraw/zinc/50/32/03/889503203.db2.gz NADNLQLRTVZKML-CYBMUJFWSA-N 2 0 298.431 -0.316 20 0 CBADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]([NH3+])CO)cc2)CC1 ZINC001340893254 889506601 /nfs/dbraw/zinc/50/66/01/889506601.db2.gz HNCVPBOUFSBHHP-CYBMUJFWSA-N 2 0 278.356 -0.304 20 0 CBADRP [NH3+][C@H](Cc1ccccn1)C(=O)NCC1=CC[NH2+]CC1 ZINC001340908327 889512569 /nfs/dbraw/zinc/51/25/69/889512569.db2.gz RZMAFYJCDZTGFB-CYBMUJFWSA-N 2 0 260.341 -0.013 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC001340917157 889512733 /nfs/dbraw/zinc/51/27/33/889512733.db2.gz XWAAYEANQAGFTR-IJLUTSLNSA-N 2 0 257.378 -0.341 20 0 CBADRP C[C@@H](NC(=O)C[C@@]1(O)CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001340916370 889513852 /nfs/dbraw/zinc/51/38/52/889513852.db2.gz JXOZVYKTUMRLCE-RISCZKNCSA-N 2 0 269.389 -0.005 20 0 CBADRP [NH3+]CCNCC(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC001340965759 889523747 /nfs/dbraw/zinc/52/37/47/889523747.db2.gz FZMSPZYNUQFEJH-UHFFFAOYSA-N 2 0 291.399 -0.290 20 0 CBADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)CNCC[NH3+])cc1 ZINC001340968165 889525907 /nfs/dbraw/zinc/52/59/07/889525907.db2.gz OYTFJKHKPNVELA-AWEZNQCLSA-N 2 0 292.383 -0.284 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CNCC[NH3+])C1 ZINC001340987623 889527879 /nfs/dbraw/zinc/52/78/79/889527879.db2.gz XISCRMDEFUGZFX-VXGBXAGGSA-N 2 0 254.378 -0.523 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001341010165 889532600 /nfs/dbraw/zinc/53/26/00/889532600.db2.gz FYENBFNCOHDIDT-LSCVPOLPSA-N 2 0 255.362 -0.275 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001341035374 889536110 /nfs/dbraw/zinc/53/61/10/889536110.db2.gz IEIAOZPSZKEUBZ-NOZJJQNGSA-N 2 0 263.345 -0.280 20 0 CBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCN1CCC([NH3+])CC1 ZINC001341056093 889537676 /nfs/dbraw/zinc/53/76/76/889537676.db2.gz GXWPTRMCFMDGJZ-CHWSQXEVSA-N 2 0 268.405 -0.086 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NCCCCCN1CC[NH2+]CC1 ZINC001341072421 889538728 /nfs/dbraw/zinc/53/87/28/889538728.db2.gz OGMAQDCPDAVPNQ-UHFFFAOYSA-N 2 0 297.447 -0.917 20 0 CBADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001341099184 889542815 /nfs/dbraw/zinc/54/28/15/889542815.db2.gz FKEIBGCTRZGEPQ-NSHDSACASA-N 2 0 254.378 -0.604 20 0 CBADRP COC[C@]1(C(=O)N2CCNCC[NH2+]CC2)CCCC[NH2+]1 ZINC001341100519 889544266 /nfs/dbraw/zinc/54/42/66/889544266.db2.gz XKMIEMYFBXHUQA-AWEZNQCLSA-N 2 0 284.404 -0.834 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC001341116246 889544299 /nfs/dbraw/zinc/54/42/99/889544299.db2.gz MUJWFKIXFNBQGS-NEPJUHHUSA-N 2 0 267.373 -0.048 20 0 CBADRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)c1cn(CC[NH3+])nn1 ZINC001341145661 889550302 /nfs/dbraw/zinc/55/03/02/889550302.db2.gz QSLRKBYECSQANL-GUBZILKMSA-N 2 0 266.349 -0.552 20 0 CBADRP COCC1(C(=O)N2CCNCC[NH2+]CC2)CC[NH2+]CC1 ZINC001341221764 889559375 /nfs/dbraw/zinc/55/93/75/889559375.db2.gz KDNHGIWHWVCTJD-UHFFFAOYSA-N 2 0 284.404 -0.976 20 0 CBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001341221062 889559514 /nfs/dbraw/zinc/55/95/14/889559514.db2.gz FRSHJZKWESZPTE-VXGBXAGGSA-N 2 0 254.378 -0.604 20 0 CBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001341221060 889560288 /nfs/dbraw/zinc/56/02/88/889560288.db2.gz FRSHJZKWESZPTE-NWDGAFQWSA-N 2 0 254.378 -0.604 20 0 CBADRP O=C([C@@H]1CCCCC[NH2+]1)N1CCNCC[NH2+]CC1 ZINC001341223439 889560397 /nfs/dbraw/zinc/56/03/97/889560397.db2.gz UIAGXTRKQJZSSH-LBPRGKRZSA-N 2 0 254.378 -0.460 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC001341240039 889562346 /nfs/dbraw/zinc/56/23/46/889562346.db2.gz RIVNEBNZUXTYID-NQBHXWOUSA-N 2 0 255.362 -0.184 20 0 CBADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001341285475 889569450 /nfs/dbraw/zinc/56/94/50/889569450.db2.gz UBSVILIRLXCIDR-GXTWGEPZSA-N 2 0 269.389 -0.101 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1[NH2+]CC12CCCC2 ZINC001341294434 889571339 /nfs/dbraw/zinc/57/13/39/889571339.db2.gz YVCVIQANTTUBTK-MNOVXSKESA-N 2 0 253.346 -0.377 20 0 CBADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)C[C@H]1C[NH3+] ZINC001341306291 889574503 /nfs/dbraw/zinc/57/45/03/889574503.db2.gz QOSIJCSTOKVLAT-GHMZBOCLSA-N 2 0 255.362 -0.097 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])=NO1 ZINC001341336023 889577719 /nfs/dbraw/zinc/57/77/19/889577719.db2.gz QKDISJYSMZDISC-OUJBWJOFSA-N 2 0 266.345 -0.180 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC001341346697 889579076 /nfs/dbraw/zinc/57/90/76/889579076.db2.gz ITURAATXNFNMJH-QWRGUYRKSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH2+]C1CC1 ZINC001341354087 889581425 /nfs/dbraw/zinc/58/14/25/889581425.db2.gz PTLKCUUZEBZEMY-JQWIXIFHSA-N 2 0 252.362 -0.757 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001341370484 889583137 /nfs/dbraw/zinc/58/31/37/889583137.db2.gz YSYOEIMEZCLJCL-DCAQKATOSA-N 2 0 253.346 -0.378 20 0 CBADRP C[C@H]1[NH2+]CCn2c(C(=O)NC[C@@H](O)C[NH3+])ccc21 ZINC001341382572 889587765 /nfs/dbraw/zinc/58/77/65/889587765.db2.gz IIOXSKRQGXXCFW-BDAKNGLRSA-N 2 0 252.318 -0.798 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001341458178 889600816 /nfs/dbraw/zinc/60/08/16/889600816.db2.gz YZNNTKTVAWDMPO-LPWJVIDDSA-N 2 0 261.325 -0.157 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001341477469 889603494 /nfs/dbraw/zinc/60/34/94/889603494.db2.gz NSQDURLDZSRJDJ-GHMZBOCLSA-N 2 0 255.362 -0.443 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)CC1(C[NH3+])CC1 ZINC001341470552 889603635 /nfs/dbraw/zinc/60/36/35/889603635.db2.gz XBXLEYTWHMLEFA-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CCCCC[C@@H]([NH3+])C2)C1=O ZINC001341494050 889606995 /nfs/dbraw/zinc/60/69/95/889606995.db2.gz XNBFLCNHRWQNBQ-CHWSQXEVSA-N 2 0 296.415 -0.086 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001341477764 889607588 /nfs/dbraw/zinc/60/75/88/889607588.db2.gz RNQMAYDELNOTIF-GFAIVZKWSA-N 2 0 281.400 -0.029 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])C1=O ZINC001341484315 889607633 /nfs/dbraw/zinc/60/76/33/889607633.db2.gz QZHWMFQYUWADSY-TYNCELHUSA-N 2 0 294.399 -0.477 20 0 CBADRP C[C@@]1(C(=O)N2C3CCC2(C[NH3+])CC3)C[C@@H](O)C[NH2+]1 ZINC001341506821 889609748 /nfs/dbraw/zinc/60/97/48/889609748.db2.gz CVLQFCFIWUWMEH-FYLGKEKYSA-N 2 0 253.346 -0.418 20 0 CBADRP CN1CCN(C)CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC001341511651 889611488 /nfs/dbraw/zinc/61/14/88/889611488.db2.gz HZCVOZVAOBPYAD-CYBMUJFWSA-N 2 0 268.405 -0.166 20 0 CBADRP CN1CCN(C)CCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC001341511930 889613073 /nfs/dbraw/zinc/61/30/73/889613073.db2.gz MOPKIMQFNAMGDI-QWHCGFSZSA-N 2 0 286.395 -0.360 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001341525126 889615546 /nfs/dbraw/zinc/61/55/46/889615546.db2.gz JANBOSIRNDSNBJ-PRHODGIISA-N 2 0 252.318 -0.878 20 0 CBADRP C[NH+]1CCC(OCC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001341530350 889618425 /nfs/dbraw/zinc/61/84/25/889618425.db2.gz UKNBQTUAJOADKG-XYPYZODXSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C2=NOC3(C2)CC[NH2+]CC3)C1 ZINC001341530420 889618603 /nfs/dbraw/zinc/61/86/03/889618603.db2.gz WDJKSXUXTHJHFH-AOOOYVTPSA-N 2 0 266.345 -0.262 20 0 CBADRP CCC1([NH3+])CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001341595078 889628375 /nfs/dbraw/zinc/62/83/75/889628375.db2.gz XTLVAWHQUTVPJQ-LBPRGKRZSA-N 2 0 296.415 -0.086 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC001341587026 889628499 /nfs/dbraw/zinc/62/84/99/889628499.db2.gz SQDAZVSFWLDPCW-DGCLKSJQSA-N 2 0 294.399 -0.463 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1)C1CC1 ZINC001341584952 889629970 /nfs/dbraw/zinc/62/99/70/889629970.db2.gz KLJPNTQFBPVGOM-DGCLKSJQSA-N 2 0 255.362 -0.300 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H]1C[NH2+]CCN1C ZINC001341613264 889631285 /nfs/dbraw/zinc/63/12/85/889631285.db2.gz GLZVKGRUNMFIME-CHWSQXEVSA-N 2 0 268.405 -0.119 20 0 CBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](O)C[NH3+])[C@H](C)C1 ZINC001341619469 889633890 /nfs/dbraw/zinc/63/38/90/889633890.db2.gz MREFXNVMSOKXHM-WOPDTQHZSA-N 2 0 257.378 -0.115 20 0 CBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CNCC[NH3+] ZINC001341620089 889634540 /nfs/dbraw/zinc/63/45/40/889634540.db2.gz SBRFMAVTHKADIH-LBPRGKRZSA-N 2 0 256.394 -0.133 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001341630267 889637617 /nfs/dbraw/zinc/63/76/17/889637617.db2.gz AYLWLKXJDNJQEI-GXFFZTMASA-N 2 0 257.378 -0.197 20 0 CBADRP COCC[NH2+]CCNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001341644007 889639332 /nfs/dbraw/zinc/63/93/32/889639332.db2.gz RJXZHPCKZUXPMP-UHFFFAOYSA-N 2 0 284.360 -0.763 20 0 CBADRP C[C@H](CNC(=O)CNCC[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC001341662745 889641883 /nfs/dbraw/zinc/64/18/83/889641883.db2.gz MZKUSYBPJNBWPW-NWDGAFQWSA-N 2 0 256.394 -0.229 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@H]1CCC[NH2+]CC1 ZINC001341660084 889643415 /nfs/dbraw/zinc/64/34/15/889643415.db2.gz RUKUDFBSAYEBQC-AGIUHOORSA-N 2 0 266.389 -0.367 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001341666262 889646372 /nfs/dbraw/zinc/64/63/72/889646372.db2.gz SBFFMGBRMJRIGD-OLZOCXBDSA-N 2 0 255.362 -0.312 20 0 CBADRP C[C@]1(C[NH3+])CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001341666261 889646431 /nfs/dbraw/zinc/64/64/31/889646431.db2.gz SBFFMGBRMJRIGD-CHWSQXEVSA-N 2 0 255.362 -0.312 20 0 CBADRP C[NH2+]C1CC(C(=O)NCCN2CCO[C@@H](C)C2)C1 ZINC001341677036 889646589 /nfs/dbraw/zinc/64/65/89/889646589.db2.gz IKWBILDYAOYVTK-UNXYVOJBSA-N 2 0 255.362 -0.179 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC001341690884 889648633 /nfs/dbraw/zinc/64/86/33/889648633.db2.gz PBIXSJJYMHJNPA-GFCCVEGCSA-N 2 0 268.405 -0.085 20 0 CBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](N)CC[NH+](C)C ZINC001341696198 889651732 /nfs/dbraw/zinc/65/17/32/889651732.db2.gz KSQAFHAHCCPIJJ-RYUDHWBXSA-N 2 0 256.394 -0.134 20 0 CBADRP COCC[NH2+]CCNC(=O)c1ccc2c(n1)C[NH2+]CC2 ZINC001341734811 889654268 /nfs/dbraw/zinc/65/42/68/889654268.db2.gz ZOSGOVJABWWJKW-UHFFFAOYSA-N 2 0 278.356 -0.307 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC001341731474 889654306 /nfs/dbraw/zinc/65/43/06/889654306.db2.gz GFKYWGAWUFYDJU-QJPTWQEYSA-N 2 0 254.378 -0.667 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C[C@H](O)C[NH2+]1 ZINC001341754658 889657146 /nfs/dbraw/zinc/65/71/46/889657146.db2.gz WFLZPJXSGAAQJP-CYZMBNFOSA-N 2 0 253.346 -0.689 20 0 CBADRP C[C@]1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C[C@@H](O)C[NH2+]1 ZINC001341754660 889657172 /nfs/dbraw/zinc/65/71/72/889657172.db2.gz WFLZPJXSGAAQJP-RTXFEEFZSA-N 2 0 253.346 -0.689 20 0 CBADRP [NH3+]C[C@@H]1Cc2cc(F)ccc2N(C(=O)[C@H]([NH3+])CO)C1 ZINC001341748802 889657298 /nfs/dbraw/zinc/65/72/98/889657298.db2.gz JGUZXPUZWKJDCI-GZMMTYOYSA-N 2 0 267.304 -0.391 20 0 CBADRP C[NH2+]CCC1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001341748749 889657640 /nfs/dbraw/zinc/65/76/40/889657640.db2.gz SBKNONRUGRVBPQ-OCCSQVGLSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)C1 ZINC001341748900 889658005 /nfs/dbraw/zinc/65/80/05/889658005.db2.gz UIZQHCPZHABKMC-WUHRBBMRSA-N 2 0 266.389 -0.430 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC001341747436 889658366 /nfs/dbraw/zinc/65/83/66/889658366.db2.gz GOHYXWMUZZGHHK-OPRDCNLKSA-N 2 0 257.334 -0.524 20 0 CBADRP C[C@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC[NH2+]1 ZINC001341764575 889659848 /nfs/dbraw/zinc/65/98/48/889659848.db2.gz INEOSWXDIPMXHN-SRVKXCTJSA-N 2 0 252.362 -0.805 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC1(C)CC[NH2+]CC1 ZINC001341769064 889660392 /nfs/dbraw/zinc/66/03/92/889660392.db2.gz YRUDMRDCGASPNM-RYUDHWBXSA-N 2 0 266.389 -0.367 20 0 CBADRP C[C@@H]1C[C@H](C(=O)NC[C@H]2C[NH2+]CCCO2)CC[NH2+]1 ZINC001341795805 889665241 /nfs/dbraw/zinc/66/52/41/889665241.db2.gz JNUXUPMLPQDIEQ-IJLUTSLNSA-N 2 0 255.362 -0.131 20 0 CBADRP [NH3+]CCCC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001341823575 889667802 /nfs/dbraw/zinc/66/78/02/889667802.db2.gz PYIAMWFKXHSZKX-SNVBAGLBSA-N 2 0 269.345 -0.473 20 0 CBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CNCC[NH3+] ZINC001341815289 889668416 /nfs/dbraw/zinc/66/84/16/889668416.db2.gz QDTKJTZSDSFLBW-GFCCVEGCSA-N 2 0 272.393 -0.896 20 0 CBADRP CN(CC[NH3+])C(=O)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC001341846495 889673161 /nfs/dbraw/zinc/67/31/61/889673161.db2.gz VYNDGSKKRIUGDJ-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(CC[C@@H]1CCC[NH2+]1)N1CCNCC[NH2+]CC1 ZINC001341851894 889673236 /nfs/dbraw/zinc/67/32/36/889673236.db2.gz CZIQFPWDPMMONS-LBPRGKRZSA-N 2 0 254.378 -0.460 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001341860994 889676267 /nfs/dbraw/zinc/67/62/67/889676267.db2.gz YRMKOZJEQZMOEV-CWSCBRNRSA-N 2 0 255.362 -0.328 20 0 CBADRP [NH3+][C@@H]1C[C@H](C(=O)N2CCC[C@@]([NH3+])(CO)C2)[C@H]2C[C@H]21 ZINC001341857973 889676551 /nfs/dbraw/zinc/67/65/51/889676551.db2.gz JWPFOPRCLJXDLV-UGCHFJIKSA-N 2 0 253.346 -0.718 20 0 CBADRP C[C@H]1CN(C(=O)C2(C[NH3+])CC(O)C2)CC[C@@H]1C[NH3+] ZINC001341870104 889676962 /nfs/dbraw/zinc/67/69/62/889676962.db2.gz BFDJIWWNMAFILU-KIENENRBSA-N 2 0 255.362 -0.471 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001341860995 889677084 /nfs/dbraw/zinc/67/70/84/889677084.db2.gz YRMKOZJEQZMOEV-GIPNMCIBSA-N 2 0 255.362 -0.328 20 0 CBADRP C[C@@H]1CN(C(=O)C2(C[NH3+])CC(O)C2)CC[C@H]1C[NH3+] ZINC001341870102 889677087 /nfs/dbraw/zinc/67/70/87/889677087.db2.gz BFDJIWWNMAFILU-CFGSLIKFSA-N 2 0 255.362 -0.471 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCN2C)CC[C@H]1C[NH3+] ZINC001341878771 889679052 /nfs/dbraw/zinc/67/90/52/889679052.db2.gz QOVUTPXKDXHXSF-GRYCIOLGSA-N 2 0 254.378 -0.667 20 0 CBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001341951780 889689368 /nfs/dbraw/zinc/68/93/68/889689368.db2.gz RVMZUFRZSISZKK-NEPJUHHUSA-N 2 0 267.373 -0.035 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC001342010530 889697214 /nfs/dbraw/zinc/69/72/14/889697214.db2.gz ITVAQLUQVLURGD-NEPJUHHUSA-N 2 0 255.362 -0.192 20 0 CBADRP C[C@@H](NC(=O)[C@H](C)[NH2+]C1CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001342037341 889701561 /nfs/dbraw/zinc/70/15/61/889701561.db2.gz SNROPTAMQMALCL-MDZLAQPJSA-N 2 0 268.405 -0.123 20 0 CBADRP CN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CC[NH+](C)C ZINC001448768653 913374464 /nfs/dbraw/zinc/37/44/64/913374464.db2.gz OXWHPSVELNRDAF-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@@H]1CCCN(C(=O)CNCC[NH3+])[C@@H]1CCC[NH3+] ZINC001342145161 889720754 /nfs/dbraw/zinc/72/07/54/889720754.db2.gz PMTAKSPOWRHAMO-VXGBXAGGSA-N 2 0 256.394 -0.099 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001342177031 889725274 /nfs/dbraw/zinc/72/52/74/889725274.db2.gz XDSNHVKEKAMPGF-SRRSOLGSSA-N 2 0 253.346 -0.642 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001342187813 889729208 /nfs/dbraw/zinc/72/92/08/889729208.db2.gz OWYBQXYWXLAAJY-BZNQNGANSA-N 2 0 253.346 -0.238 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1C[NH2+]CCC12CCC2 ZINC001342229930 889735007 /nfs/dbraw/zinc/73/50/07/889735007.db2.gz XHJHHSBIEAEZMZ-VXGBXAGGSA-N 2 0 267.373 -0.129 20 0 CBADRP CN(CCOCC[NH3+])C(=O)c1cn2cc(C[NH3+])ccc2n1 ZINC001342238480 889736421 /nfs/dbraw/zinc/73/64/21/889736421.db2.gz FCZACRXCKURRPK-UHFFFAOYSA-N 2 0 291.355 -0.160 20 0 CBADRP C[C@@]1(C(=O)N2CCC[C@H]([NH2+]CCO)C2)CCC[NH2+]1 ZINC001342250814 889738727 /nfs/dbraw/zinc/73/87/27/889738727.db2.gz RULHPOULSLLLQH-AAEUAGOBSA-N 2 0 255.362 -0.299 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)c1ccc2c(c1)C[NH2+]CC2 ZINC001342272131 889744929 /nfs/dbraw/zinc/74/49/29/889744929.db2.gz RZQFRWIQJOJWAN-QWHCGFSZSA-N 2 0 261.325 -0.605 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](C(=O)N2NC(=O)C[C@]23CC[NH2+]C3)C1 ZINC001342288984 889747681 /nfs/dbraw/zinc/74/76/81/889747681.db2.gz CNVKAFLLAINMDG-CWSCBRNRSA-N 2 0 266.345 -0.501 20 0 CBADRP C[NH2+]CCCCC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001342298421 889749150 /nfs/dbraw/zinc/74/91/50/889749150.db2.gz LBGRLWJVENDLFM-LBPRGKRZSA-N 2 0 284.404 -0.168 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC001342296306 889750806 /nfs/dbraw/zinc/75/08/06/889750806.db2.gz RXTOEMOGKPSGDI-DCAQKATOSA-N 2 0 255.362 -0.193 20 0 CBADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C1(C[NH3+])CC(O)C1 ZINC001342347803 889756485 /nfs/dbraw/zinc/75/64/85/889756485.db2.gz KBONWDNGRMQSIX-ATJQQHLPSA-N 2 0 267.373 -0.219 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001342363589 889762259 /nfs/dbraw/zinc/76/22/59/889762259.db2.gz OZJFYILYYYHTRL-JBLDHEPKSA-N 2 0 268.361 -0.951 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC001342567348 889792407 /nfs/dbraw/zinc/79/24/07/889792407.db2.gz ANTLHHSRMHKWFR-OUAUKWLOSA-N 2 0 268.361 -0.937 20 0 CBADRP C[C@@H]1[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC[N@@H+]1C ZINC001342571210 889796140 /nfs/dbraw/zinc/79/61/40/889796140.db2.gz VLVWOWVHKXTEQO-BYNQJWBRSA-N 2 0 267.373 -0.179 20 0 CBADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC001342620936 889801646 /nfs/dbraw/zinc/80/16/46/889801646.db2.gz DIDRSSOYDRMYNG-SCOBNMCVSA-N 2 0 266.389 -0.436 20 0 CBADRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)[C@@H]1C[NH2+]CCN1C ZINC001342628219 889804041 /nfs/dbraw/zinc/80/40/41/889804041.db2.gz GJTWACTXYVLMOQ-BJDJZHNGSA-N 2 0 254.378 -0.513 20 0 CBADRP CC[NH+](CC)CC[C@@H](C)NC(=O)CNC(=O)C[NH3+] ZINC001342630521 889804337 /nfs/dbraw/zinc/80/43/37/889804337.db2.gz DZLYHCBVWCCUEL-SNVBAGLBSA-N 2 0 258.366 -0.702 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)[C@@H]1C[NH2+]CCN1C ZINC001342628247 889804757 /nfs/dbraw/zinc/80/47/57/889804757.db2.gz GJTWACTXYVLMOQ-YFKTTZPYSA-N 2 0 254.378 -0.513 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)C[C@H]1[NH3+] ZINC001342648853 889810161 /nfs/dbraw/zinc/81/01/61/889810161.db2.gz LPEZQMSBRSSNTB-KXNHARMFSA-N 2 0 252.362 -0.820 20 0 CBADRP CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1)C(N)=O ZINC001448794047 913384059 /nfs/dbraw/zinc/38/40/59/913384059.db2.gz XAHLDKJUNFPNAD-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@]1(C(=O)NCCCCCN2CC[NH2+]CC2)C[C@@H](O)C[NH2+]1 ZINC001342678228 889814672 /nfs/dbraw/zinc/81/46/72/889814672.db2.gz AKNIIUXPVKHJOA-UKRRQHHQSA-N 2 0 298.431 -0.709 20 0 CBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCNCC[NH2+]CC2)C1(C)C ZINC001342705166 889818944 /nfs/dbraw/zinc/81/89/44/889818944.db2.gz ROTLBOKYTYCAPH-IUODEOHRSA-N 2 0 298.431 -0.460 20 0 CBADRP C[C@@]1(C(=O)N2CCC3(CC2)C[NH2+]CCO3)CC[NH2+]C1 ZINC001342830006 889833016 /nfs/dbraw/zinc/83/30/16/889833016.db2.gz STXVXCXADPCJTK-CYBMUJFWSA-N 2 0 267.373 -0.033 20 0 CBADRP CN(C(=O)[C@]1(F)CC[NH2+]C1)C1(C[NH3+])CCOCC1 ZINC001342849572 889834883 /nfs/dbraw/zinc/83/48/83/889834883.db2.gz DRPBEAKFNCUODG-LBPRGKRZSA-N 2 0 259.325 -0.346 20 0 CBADRP CN1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC[N@H+](C)CC1 ZINC001342915392 889845222 /nfs/dbraw/zinc/84/52/22/889845222.db2.gz XKKUPIIJUHCLNB-CQSZACIVSA-N 2 0 284.404 -0.929 20 0 CBADRP CN1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC[N@H+](C)CC1 ZINC001342915145 889846161 /nfs/dbraw/zinc/84/61/61/889846161.db2.gz VOUSFAFCODSXDM-OLZOCXBDSA-N 2 0 284.404 -0.944 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001342941685 889847784 /nfs/dbraw/zinc/84/77/84/889847784.db2.gz CERYYXGORLWWNX-HZSPNIEDSA-N 2 0 299.415 -0.020 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH3+])CC(O)C3)C[C@]2(C)C1 ZINC001342994093 889850362 /nfs/dbraw/zinc/85/03/62/889850362.db2.gz LSCPLKBFYIPGSQ-VSUDMTKCSA-N 2 0 267.373 -0.504 20 0 CBADRP COCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC001342992074 889850400 /nfs/dbraw/zinc/85/04/00/889850400.db2.gz FWAGZOLPWLYSAU-QWRGUYRKSA-N 2 0 259.350 -0.813 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001342975555 889850524 /nfs/dbraw/zinc/85/05/24/889850524.db2.gz BOYXAEDKRYKWDZ-GMTAPVOTSA-N 2 0 268.361 -0.902 20 0 CBADRP COCC[NH2+]CC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001342976569 889851475 /nfs/dbraw/zinc/85/14/75/889851475.db2.gz APHUYIJFZUFQLU-TZMCWYRMSA-N 2 0 263.341 -0.037 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001342994266 889852996 /nfs/dbraw/zinc/85/29/96/889852996.db2.gz LAACIZVDVVGFNL-WYUUTHIRSA-N 2 0 253.346 -0.711 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[NH2+][C@H]1C ZINC001342996253 889854822 /nfs/dbraw/zinc/85/48/22/889854822.db2.gz XBUXEJPVXBFZFW-TUAOUCFPSA-N 2 0 255.362 -0.179 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[NH2+]C[C@H]1CCOC ZINC001342996507 889855428 /nfs/dbraw/zinc/85/54/28/889855428.db2.gz ZVHPCMSRRLHQEP-LLVKDONJSA-N 2 0 259.350 -0.941 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001343052407 889862109 /nfs/dbraw/zinc/86/21/09/889862109.db2.gz BOJJBPXUTYLHGG-XNDJQWLSSA-N 2 0 268.361 -0.905 20 0 CBADRP C[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CC23CCOCC3)CC1 ZINC001343078356 889865462 /nfs/dbraw/zinc/86/54/62/889865462.db2.gz CJJSWDFAYXWCHO-LBPRGKRZSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]C[C@H]1C[C@H](NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC001343087977 889866477 /nfs/dbraw/zinc/86/64/77/889866477.db2.gz VFQLJZNJUPDYSR-GUBZILKMSA-N 2 0 263.345 -0.046 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CC1(C)C ZINC001343181908 889876202 /nfs/dbraw/zinc/87/62/02/889876202.db2.gz UANFGVWSCGYNON-GHMZBOCLSA-N 2 0 255.362 -0.321 20 0 CBADRP C[NH+]1CCC(NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001343354722 889892887 /nfs/dbraw/zinc/89/28/87/889892887.db2.gz TUFYDWIKIMJNFK-GFCCVEGCSA-N 2 0 282.388 -0.606 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)NCC[NH+]2CCCCC2)C1=O ZINC001343356820 889894264 /nfs/dbraw/zinc/89/42/64/889894264.db2.gz UVOOEMRQFWHTTO-ZDUSSCGKSA-N 2 0 296.415 -0.214 20 0 CBADRP C[NH+](C)CCOc1cccc(CNC(=O)CNCC[NH3+])c1 ZINC001343372433 889895143 /nfs/dbraw/zinc/89/51/43/889895143.db2.gz QRJIXSBKPAGVBA-UHFFFAOYSA-N 2 0 294.399 -0.209 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H](C)[C@@H](O)C[NH2+]C)C1CC1 ZINC001343419652 889903821 /nfs/dbraw/zinc/90/38/21/889903821.db2.gz FVAZNQJASDCXMT-JQWIXIFHSA-N 2 0 257.378 -0.197 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001343484901 889919030 /nfs/dbraw/zinc/91/90/30/889919030.db2.gz BHVZVMCJFAKVCO-QJPTWQEYSA-N 2 0 282.388 -0.608 20 0 CBADRP [NH3+]C1(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CCC1 ZINC001343566783 889932592 /nfs/dbraw/zinc/93/25/92/889932592.db2.gz KJVVAMBXEBWABR-VXGBXAGGSA-N 2 0 267.373 -0.075 20 0 CBADRP [NH3+]C1(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CCC1 ZINC001343566782 889932666 /nfs/dbraw/zinc/93/26/66/889932666.db2.gz KJVVAMBXEBWABR-RYUDHWBXSA-N 2 0 267.373 -0.075 20 0 CBADRP C[NH2+]CCC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001343565818 889933001 /nfs/dbraw/zinc/93/30/01/889933001.db2.gz ANSCXMVECIATPO-RYUDHWBXSA-N 2 0 255.362 -0.347 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001343591026 889938287 /nfs/dbraw/zinc/93/82/87/889938287.db2.gz AWBGNSAFTQHRFC-ZDEQEGDKSA-N 2 0 268.405 -0.278 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001343620509 889941445 /nfs/dbraw/zinc/94/14/45/889941445.db2.gz DHKBFHHFRIBOSR-CYBMUJFWSA-N 2 0 296.415 -0.264 20 0 CBADRP O=C([C@H]1[NH2+]CC12CCOCC2)N1CC[N@@H+]2CC[C@H]1C2 ZINC001343690034 889949785 /nfs/dbraw/zinc/94/97/85/889949785.db2.gz HZASEYJCWRUUOS-NWDGAFQWSA-N 2 0 265.357 -0.329 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001343713559 889952254 /nfs/dbraw/zinc/95/22/54/889952254.db2.gz GWKPLBPTGUKWNX-NEPJUHHUSA-N 2 0 254.378 -0.604 20 0 CBADRP CCN(C(=O)C[C@@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC001343730527 889960487 /nfs/dbraw/zinc/96/04/87/889960487.db2.gz CELNXPDYQIEQOQ-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001343873445 889971232 /nfs/dbraw/zinc/97/12/32/889971232.db2.gz YKPXAAXXUCEPRT-LOWVWBTDSA-N 2 0 253.346 -0.234 20 0 CBADRP O=C(C[NH+]1CCC(CO)CC1)NCCC[NH2+]C1CC1 ZINC001343879118 889974932 /nfs/dbraw/zinc/97/49/32/889974932.db2.gz BBNAHYYYIXMZJZ-UHFFFAOYSA-N 2 0 269.389 -0.051 20 0 CBADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCC1(O)C[NH2+]C1 ZINC001343966183 889984366 /nfs/dbraw/zinc/98/43/66/889984366.db2.gz GAYCGBNWOFUVPB-LBPRGKRZSA-N 2 0 261.325 -0.329 20 0 CBADRP C[NH+](C)C[C@@H](NC(=O)[C@H]([NH3+])CO)c1ccc(F)cc1 ZINC001343994398 889987381 /nfs/dbraw/zinc/98/73/81/889987381.db2.gz VJKKLFMALUDWNB-VXGBXAGGSA-N 2 0 269.320 -0.136 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)NCC23CC(C2)C[NH2+]3)CCOCC1 ZINC001344057590 889998049 /nfs/dbraw/zinc/99/80/49/889998049.db2.gz IVOKIUOUYGHHBT-ZBOXLXRLSA-N 2 0 267.373 -0.001 20 0 CBADRP Cc1nccn1CCCC(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001344082228 890001647 /nfs/dbraw/zinc/00/16/47/890001647.db2.gz STXFIKVDEVTCOH-MNOVXSKESA-N 2 0 252.318 -0.579 20 0 CBADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001344094194 890002550 /nfs/dbraw/zinc/00/25/50/890002550.db2.gz YRINHMJOJZXKPW-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001344094200 890004536 /nfs/dbraw/zinc/00/45/36/890004536.db2.gz YRINHMJOJZXKPW-WDEREUQCSA-N 2 0 255.362 -0.049 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001344128721 890005363 /nfs/dbraw/zinc/00/53/63/890005363.db2.gz UPUPYEZRUQSHNM-DGCLKSJQSA-N 2 0 255.362 -0.299 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001344374751 890019899 /nfs/dbraw/zinc/01/98/99/890019899.db2.gz QEGZSDPWGNVRBX-NWDGAFQWSA-N 2 0 267.373 -0.035 20 0 CBADRP CC(C)[NH2+]CCC(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001344368979 890020613 /nfs/dbraw/zinc/02/06/13/890020613.db2.gz OTZUEZNGRZOPDB-LBPRGKRZSA-N 2 0 257.378 -0.053 20 0 CBADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC001344410204 890022281 /nfs/dbraw/zinc/02/22/81/890022281.db2.gz FFKGVCCQJQVNPW-QWRGUYRKSA-N 2 0 253.346 -0.330 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC001344421390 890026143 /nfs/dbraw/zinc/02/61/43/890026143.db2.gz HENAYPZZBAAANO-VHSXEESVSA-N 2 0 257.378 -0.021 20 0 CBADRP C[C@H](NC(=O)[C@H]1CCCN(CC[NH3+])C1=O)C1CC[NH2+]CC1 ZINC001344462042 890029244 /nfs/dbraw/zinc/02/92/44/890029244.db2.gz KYZIRKSAJHAGBM-WCQYABFASA-N 2 0 296.415 -0.312 20 0 CBADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]C[C@@H]1CO ZINC001344519484 890036347 /nfs/dbraw/zinc/03/63/47/890036347.db2.gz UIXLTVJXIBEKAL-PSEXLTFBSA-N 2 0 267.373 -0.300 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC001344846504 890072706 /nfs/dbraw/zinc/07/27/06/890072706.db2.gz NMXJORPOBNJJJZ-QEYWKRMJSA-N 2 0 254.334 -0.313 20 0 CBADRP C[NH2+]CCC(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001344963036 890086143 /nfs/dbraw/zinc/08/61/43/890086143.db2.gz LWFQGEOGNVDGND-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H](C(=O)N1CCC2(CC1)C[NH2+]CCO2)[NH+](C)C ZINC001345108984 890099142 /nfs/dbraw/zinc/09/91/42/890099142.db2.gz NLQHBYKHHBPMQI-NSHDSACASA-N 2 0 255.362 -0.083 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001345118896 890103080 /nfs/dbraw/zinc/10/30/80/890103080.db2.gz FVSXAYGEPLXEIS-LLVKDONJSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(NC[C@@H]1CCCCC[NH2+]1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001345525400 890138160 /nfs/dbraw/zinc/13/81/60/890138160.db2.gz JQSYPJXRQOAEEM-OBJOEFQTSA-N 2 0 267.373 -0.129 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001345537385 890141335 /nfs/dbraw/zinc/14/13/35/890141335.db2.gz URHQUCPLTQSSGC-DGCLKSJQSA-N 2 0 266.389 -0.415 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CCOC2)CC1 ZINC001345604584 890146499 /nfs/dbraw/zinc/14/64/99/890146499.db2.gz CDBHESFPPZOSLU-STQMWFEESA-N 2 0 257.378 -0.779 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001345856443 890172524 /nfs/dbraw/zinc/17/25/24/890172524.db2.gz RLZSVEXLVXWYOO-OUAUKWLOSA-N 2 0 268.361 -0.889 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001345911095 890177202 /nfs/dbraw/zinc/17/72/02/890177202.db2.gz HQPDTNWTEXAMDI-XQHKEYJVSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001346001171 890196056 /nfs/dbraw/zinc/19/60/56/890196056.db2.gz GCSXWNZPVMEFKC-VIFPVBQESA-N 2 0 266.349 -0.378 20 0 CBADRP C[NH2+][C@H](C(=O)N1CC[C@@](C)(C[NH3+])C1)c1cnn(C)c1 ZINC001346028351 890198583 /nfs/dbraw/zinc/19/85/83/890198583.db2.gz FYSGMLLCFCYIDK-AAEUAGOBSA-N 2 0 265.361 -0.122 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCN(CC(=O)N2CC[NH2+]CC2)C1 ZINC001346018691 890198818 /nfs/dbraw/zinc/19/88/18/890198818.db2.gz ZJFWFQSKBZQMEY-RYUDHWBXSA-N 2 0 254.378 -0.523 20 0 CBADRP CC1(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC001346045544 890202089 /nfs/dbraw/zinc/20/20/89/890202089.db2.gz DRSTZLVQSWQVEW-JTQLQIEISA-N 2 0 268.361 -0.887 20 0 CBADRP C[NH+]1CCN(CC[NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001346180092 890232488 /nfs/dbraw/zinc/23/24/88/890232488.db2.gz LNDYMDLLXXODNP-ZDUSSCGKSA-N 2 0 267.377 -0.919 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCNc2cnccn2)CC1 ZINC001346178486 890232515 /nfs/dbraw/zinc/23/25/15/890232515.db2.gz GNBHDMHKPSCHRL-ZDUSSCGKSA-N 2 0 294.403 -0.914 20 0 CBADRP C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1C[N@H+](C)CCN1C ZINC001346228794 890243381 /nfs/dbraw/zinc/24/33/81/890243381.db2.gz MEZGFYYOSILBMF-YFKTTZPYSA-N 2 0 254.378 -0.526 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001346332644 890270749 /nfs/dbraw/zinc/27/07/49/890270749.db2.gz KEQULKCFWXEDNR-WOPDTQHZSA-N 2 0 254.378 -0.382 20 0 CBADRP C[NH+](C)[C@@H]1C[C@H]([NH2+]CCC(=O)NC(N)=O)C1(C)C ZINC001346367942 890277450 /nfs/dbraw/zinc/27/74/50/890277450.db2.gz URHCICSQEJXRCQ-DTWKUNHWSA-N 2 0 256.350 -0.110 20 0 CBADRP [NH3+]C/C=C\CNC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001346488726 890304554 /nfs/dbraw/zinc/30/45/54/890304554.db2.gz DCYRRKVHHWLASN-RQOWECAXSA-N 2 0 283.420 -0.124 20 0 CBADRP [NH3+]CC12CCC(CC1)N2C(=O)N1CCNCC[NH2+]CC1 ZINC001346526600 890313936 /nfs/dbraw/zinc/31/39/36/890313936.db2.gz OUGMJRYRFQXFPT-UHFFFAOYSA-N 2 0 281.404 -0.443 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001346525859 890314597 /nfs/dbraw/zinc/31/45/97/890314597.db2.gz IOTPOFZULKPGKL-KLPPZKSPSA-N 2 0 269.393 -0.554 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001346525555 890315661 /nfs/dbraw/zinc/31/56/61/890315661.db2.gz FPUHOFHOOJAYOZ-RKDXNWHRSA-N 2 0 298.309 -0.117 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001346537182 890320179 /nfs/dbraw/zinc/32/01/79/890320179.db2.gz HLBQXFDEZDGFQG-WISYIIOYSA-N 2 0 252.362 -0.012 20 0 CBADRP [NH3+]C1CC2(C1)CC(NC(=O)N[C@@H]1[C@H]3C[NH2+]C[C@H]31)C2 ZINC001346649100 890336323 /nfs/dbraw/zinc/33/63/23/890336323.db2.gz PVSOVCLJIZKOMO-GLFBBWOXSA-N 2 0 250.346 -0.227 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)NCC2([NH3+])CC2)CC1 ZINC001346664239 890336546 /nfs/dbraw/zinc/33/65/46/890336546.db2.gz JHSMMCWTBCDSGO-UHFFFAOYSA-N 2 0 270.377 -0.112 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC001347156680 890417736 /nfs/dbraw/zinc/41/77/36/890417736.db2.gz ALLGFEMVIPUDHC-OLZOCXBDSA-N 2 0 284.404 -0.896 20 0 CBADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC001347157460 890419229 /nfs/dbraw/zinc/41/92/29/890419229.db2.gz LSJLNGSYTAYAML-SDDRHHMPSA-N 2 0 255.362 -0.062 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC001347167115 890420896 /nfs/dbraw/zinc/42/08/96/890420896.db2.gz IPGULKACWUYJLU-SECBINFHSA-N 2 0 254.338 -0.645 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC001347603821 890485896 /nfs/dbraw/zinc/48/58/96/890485896.db2.gz RZHTWIXLLQQNJG-JHJVBQTASA-N 2 0 266.389 -0.415 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1CCC[NH+](C)C1 ZINC001347603820 890486932 /nfs/dbraw/zinc/48/69/32/890486932.db2.gz RZHTWIXLLQQNJG-FRRDWIJNSA-N 2 0 266.389 -0.415 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NCC[C@@H](C)[NH2+]C ZINC001348305520 890589554 /nfs/dbraw/zinc/58/95/54/890589554.db2.gz FQSSJKQKOHOJQI-LLVKDONJSA-N 2 0 260.382 -0.138 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NCC[C@H](C)[NH2+]C ZINC001348305548 890590368 /nfs/dbraw/zinc/59/03/68/890590368.db2.gz FQSSJKQKOHOJQI-NSHDSACASA-N 2 0 260.382 -0.138 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001348447129 890626911 /nfs/dbraw/zinc/62/69/11/890626911.db2.gz MIUYLIQCIPJKMS-MNOVXSKESA-N 2 0 270.377 -0.798 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC001348447532 890627517 /nfs/dbraw/zinc/62/75/17/890627517.db2.gz QOGVUQRYILTBAF-SDDRHHMPSA-N 2 0 254.378 -0.476 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H]1C ZINC001448980977 913475910 /nfs/dbraw/zinc/47/59/10/913475910.db2.gz OIILRSMXTALDLY-MNOVXSKESA-N 2 0 270.377 -0.608 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001348838206 890708965 /nfs/dbraw/zinc/70/89/65/890708965.db2.gz YZQQHZSLGABGKC-MELADBBJSA-N 2 0 280.416 -0.262 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCCn2ccnc2)CC1 ZINC001348956742 890737682 /nfs/dbraw/zinc/73/76/82/890737682.db2.gz BMCLUXKWJZQMMV-OAHLLOKOSA-N 2 0 295.431 -0.139 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001349022613 890748012 /nfs/dbraw/zinc/74/80/12/890748012.db2.gz FHNMMFNXVZGQBU-GFCCVEGCSA-N 2 0 284.404 -0.489 20 0 CBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C2CC[NH2+]CC2)C1 ZINC001349098732 890759665 /nfs/dbraw/zinc/75/96/65/890759665.db2.gz JKMNVZCYOKPNLK-CYBMUJFWSA-N 2 0 296.415 -0.310 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)N[C@@H]1CC12CC[NH2+]CC2 ZINC001349227835 890779572 /nfs/dbraw/zinc/77/95/72/890779572.db2.gz MGXKOCZAMARVMA-WDEREUQCSA-N 2 0 253.346 -0.377 20 0 CBADRP C[C@]1(C[NH+]2CCC(OCC(N)=O)CC2)CC[NH2+]C1 ZINC001349318652 890794764 /nfs/dbraw/zinc/79/47/64/890794764.db2.gz LBUMCPSTZRWGPZ-ZDUSSCGKSA-N 2 0 255.362 -0.048 20 0 CBADRP O=C(CN1CCC[C@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001349398005 890805697 /nfs/dbraw/zinc/80/56/97/890805697.db2.gz BRWYDUMGRCZRNY-CQSZACIVSA-N 2 0 266.389 -0.506 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC1=CC[NH+](C)CC1 ZINC001349403155 890809034 /nfs/dbraw/zinc/80/90/34/890809034.db2.gz GTSGARREIABXCH-OCCSQVGLSA-N 2 0 278.400 -0.247 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(CCN3CC[NH2+]CC3)CC2)C1 ZINC001349486950 890823577 /nfs/dbraw/zinc/82/35/77/890823577.db2.gz OPZMXCTWTKVKMO-INIZCTEOSA-N 2 0 295.475 -0.397 20 0 CBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)CN1CC[NH2+]CC1 ZINC001349600320 890847034 /nfs/dbraw/zinc/84/70/34/890847034.db2.gz SKIVPCNTVHRRSP-QWHCGFSZSA-N 2 0 268.405 -0.119 20 0 CBADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCOC2(C[NH2+]C2)C1 ZINC001349608109 890848615 /nfs/dbraw/zinc/84/86/15/890848615.db2.gz IAFMXMKCBAKJHM-PCAWENJQSA-N 2 0 265.357 -0.257 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC001349807171 890894651 /nfs/dbraw/zinc/89/46/51/890894651.db2.gz DEVOZZZMTDEAMT-QWRGUYRKSA-N 2 0 286.420 -0.068 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001349916276 890912454 /nfs/dbraw/zinc/91/24/54/890912454.db2.gz IYLCWABXLMIPDY-SECBINFHSA-N 2 0 265.304 -0.417 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC001349979727 890918145 /nfs/dbraw/zinc/91/81/45/890918145.db2.gz KAOMAJAEBRNSCF-QJPTWQEYSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC001349996100 890921778 /nfs/dbraw/zinc/92/17/78/890921778.db2.gz VJWBEZWKJGIDTD-YFKTTZPYSA-N 2 0 282.388 -0.561 20 0 CBADRP O=C(C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC001350092295 890936841 /nfs/dbraw/zinc/93/68/41/890936841.db2.gz HEHUGPPRJGVDNZ-OLZOCXBDSA-N 2 0 267.373 -0.081 20 0 CBADRP O=C(C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC001350092294 890936889 /nfs/dbraw/zinc/93/68/89/890936889.db2.gz HEHUGPPRJGVDNZ-CHWSQXEVSA-N 2 0 267.373 -0.081 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001350213111 890948547 /nfs/dbraw/zinc/94/85/47/890948547.db2.gz BSAJLBCSEYKFHK-WYUUTHIRSA-N 2 0 252.362 -0.012 20 0 CBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC001350345355 890968770 /nfs/dbraw/zinc/96/87/70/890968770.db2.gz NMIYYXNCPUVNND-BZUNDVKYSA-N 2 0 294.399 -0.735 20 0 CBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@H](Cn3ccnn3)C2)C1 ZINC001350910295 891067686 /nfs/dbraw/zinc/06/76/86/891067686.db2.gz PARDIKSCWZGPLS-RHYQMDGZSA-N 2 0 251.334 -0.549 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C[NH2+]1 ZINC001351579879 891158714 /nfs/dbraw/zinc/15/87/14/891158714.db2.gz QHLIPOBZGULIPA-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP C[NH2+]CCOCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC001351678550 891170040 /nfs/dbraw/zinc/17/00/40/891170040.db2.gz CUMKSAIALZHUGG-BFHYXJOUSA-N 3 0 271.405 -0.031 20 0 CBADRP COC[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001449181659 913531899 /nfs/dbraw/zinc/53/18/99/913531899.db2.gz DNSWUKGJVSATPJ-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP Cc1nn(CCO)c(C)c1CN1CC[NH2+]CC[NH2+]CC1 ZINC001352791596 891296458 /nfs/dbraw/zinc/29/64/58/891296458.db2.gz XYWPICWCFDSRFS-UHFFFAOYSA-N 2 0 281.404 -0.513 20 0 CBADRP [NH3+]Cc1ncc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cn1 ZINC001352848690 891310152 /nfs/dbraw/zinc/31/01/52/891310152.db2.gz BNAUZUFLPPXSRM-MFKMUULPSA-N 2 0 261.329 -0.111 20 0 CBADRP C[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001449220112 913545393 /nfs/dbraw/zinc/54/53/93/913545393.db2.gz UWWPELOURPUSHC-NEPJUHHUSA-N 2 0 275.393 -0.930 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC1CC[NH2+]CC1 ZINC001352990427 891335245 /nfs/dbraw/zinc/33/52/45/891335245.db2.gz ZXKGOTWYDCDKSA-WCQYABFASA-N 2 0 266.389 -0.510 20 0 CBADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)C[C@H](C)[NH2+]1 ZINC001353005675 891341920 /nfs/dbraw/zinc/34/19/20/891341920.db2.gz VRAIKNUGNUDCRJ-TXEJJXNPSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC001353035933 891346010 /nfs/dbraw/zinc/34/60/10/891346010.db2.gz UQUAZHLEPIMTCB-OLZOCXBDSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001449220137 913548215 /nfs/dbraw/zinc/54/82/15/913548215.db2.gz UWWPELOURPUSHC-VXGBXAGGSA-N 2 0 275.393 -0.930 20 0 CBADRP COCC[C@H]([NH3+])C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001353061933 891352047 /nfs/dbraw/zinc/35/20/47/891352047.db2.gz BTQMBRIPTYLLLJ-NSHDSACASA-N 2 0 269.349 -0.253 20 0 CBADRP C[NH2+][C@H](C)CCNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001353201570 891381400 /nfs/dbraw/zinc/38/14/00/891381400.db2.gz RWIOFVFCAPSKCT-ZWNOBZJWSA-N 2 0 268.361 -0.001 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC001353200901 891381446 /nfs/dbraw/zinc/38/14/46/891381446.db2.gz JXWHKCNHZAOFLR-GFCCVEGCSA-N 2 0 255.362 -0.313 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@@H+]1C ZINC001353258231 891388328 /nfs/dbraw/zinc/38/83/28/891388328.db2.gz AVQNPPWVPQPWRE-WYUUTHIRSA-N 2 0 280.372 -0.842 20 0 CBADRP CC[NH+]1CCN(CC[NH2+]C[C@@H](O)C2(O)CCC2)CC1 ZINC001353274120 891390240 /nfs/dbraw/zinc/39/02/40/891390240.db2.gz SNSQWSIJFLUVND-CYBMUJFWSA-N 2 0 271.405 -0.511 20 0 CBADRP C[NH+](C)CCN1CCC(C[NH2+]CCS(C)(=O)=O)CC1 ZINC001353277962 891393826 /nfs/dbraw/zinc/39/38/26/891393826.db2.gz NKRDUQRWHLVBIW-UHFFFAOYSA-N 2 0 291.461 -0.106 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001353391183 891419912 /nfs/dbraw/zinc/41/99/12/891419912.db2.gz SIYMRXLOLHHQFP-GFCCVEGCSA-N 2 0 272.393 -0.055 20 0 CBADRP C[NH+](C)CCCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001353434066 891425367 /nfs/dbraw/zinc/42/53/67/891425367.db2.gz WNGUWBFFJJBNIP-YPMHNXCESA-N 2 0 255.362 -0.320 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)N1CCC[C@@]12CC[NH2+]C2 ZINC001353430407 891426048 /nfs/dbraw/zinc/42/60/48/891426048.db2.gz PSABMAMFUZGJOO-YPMHNXCESA-N 2 0 268.361 -0.488 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001353423864 891426085 /nfs/dbraw/zinc/42/60/85/891426085.db2.gz DRMRKQZIAXDZJT-ZDUSSCGKSA-N 2 0 270.377 -0.240 20 0 CBADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)NC[C@@H]1COCC[NH2+]1)C2 ZINC001353441164 891427612 /nfs/dbraw/zinc/42/76/12/891427612.db2.gz CYVXPAPMELPRLO-YFKTTZPYSA-N 2 0 268.361 -0.504 20 0 CBADRP [NH3+]CCCOCCNC(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001353442073 891428780 /nfs/dbraw/zinc/42/87/80/891428780.db2.gz LPCGAGVXAOVXIU-AAEUAGOBSA-N 2 0 270.377 -0.207 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001353442772 891428826 /nfs/dbraw/zinc/42/88/26/891428826.db2.gz PFOZGJWBTXTXDH-HBNTYKKESA-N 2 0 256.350 -0.586 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC001353482551 891432920 /nfs/dbraw/zinc/43/29/20/891432920.db2.gz MZVGBZBWYJWZLY-UHFFFAOYSA-N 2 0 284.404 -0.895 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)[C@H](O)C[NH2+]C)C1 ZINC001353496715 891436326 /nfs/dbraw/zinc/43/63/26/891436326.db2.gz UBFDMMATGMINSI-QJPTWQEYSA-N 2 0 257.378 -0.339 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001353507314 891436368 /nfs/dbraw/zinc/43/63/68/891436368.db2.gz BISPFOOMPJCRRU-BZPMIXESSA-N 2 0 267.373 -0.177 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC001353518913 891439454 /nfs/dbraw/zinc/43/94/54/891439454.db2.gz UKCNAHCEUXIIDR-LBPRGKRZSA-N 2 0 254.378 -0.379 20 0 CBADRP [NH3+][C@H]1CCC[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC001353518644 891440005 /nfs/dbraw/zinc/44/00/05/891440005.db2.gz SCSIDPMJXMSRQD-QWRGUYRKSA-N 2 0 268.361 -0.360 20 0 CBADRP [NH3+]CCNCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001353518912 891440536 /nfs/dbraw/zinc/44/05/36/891440536.db2.gz UKCNAHCEUXIIDR-GFCCVEGCSA-N 2 0 254.378 -0.379 20 0 CBADRP C[NH+]1CCN(c2ccccc2NC(=O)CNCC[NH3+])CC1 ZINC001353583127 891449584 /nfs/dbraw/zinc/44/95/84/891449584.db2.gz RIWXPBDAALJPDR-UHFFFAOYSA-N 2 0 291.399 -0.075 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001353591012 891450431 /nfs/dbraw/zinc/45/04/31/891450431.db2.gz BZPJKAQGEGNZNL-WOPDTQHZSA-N 2 0 252.362 -0.805 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001353601971 891450703 /nfs/dbraw/zinc/45/07/03/891450703.db2.gz FMVHXLZHFFGHQL-VXGBXAGGSA-N 2 0 269.389 -0.195 20 0 CBADRP C[NH2+]C1CC(C(=O)N2CCC[NH2+]C[C@@H]2C(=O)OC)C1 ZINC001353647003 891456459 /nfs/dbraw/zinc/45/64/59/891456459.db2.gz WPPDUSILMMJGAZ-VQXHTEKXSA-N 2 0 269.345 -0.652 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001353729898 891467752 /nfs/dbraw/zinc/46/77/52/891467752.db2.gz VZVDOXCBHOOPFO-RNJOBUHISA-N 2 0 269.389 -0.102 20 0 CBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001353729896 891467960 /nfs/dbraw/zinc/46/79/60/891467960.db2.gz VZVDOXCBHOOPFO-QNWHQSFQSA-N 2 0 269.389 -0.102 20 0 CBADRP C[C@@H]([NH3+])CONC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001354073683 891511230 /nfs/dbraw/zinc/51/12/30/891511230.db2.gz KVXRJJYLRVVJFP-HTQZYQBOSA-N 2 0 253.306 -0.505 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001354318471 891562018 /nfs/dbraw/zinc/56/20/18/891562018.db2.gz IAUSJBWZHDDXFY-UHTWSYAYSA-N 2 0 267.373 -0.049 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001354343179 891565076 /nfs/dbraw/zinc/56/50/76/891565076.db2.gz MEYCGKIMCCWMBQ-WHOHXGKFSA-N 2 0 253.346 -0.929 20 0 CBADRP C[C@]1(NC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)CC[NH2+]C1 ZINC001354344398 891568065 /nfs/dbraw/zinc/56/80/65/891568065.db2.gz WGMQMQQFMANFLB-STQMWFEESA-N 2 0 266.345 -0.247 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001354462924 891584296 /nfs/dbraw/zinc/58/42/96/891584296.db2.gz SUKJWVZYRAGMQQ-NSHDSACASA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccn(CCC[NH3+])n1 ZINC001354487602 891585994 /nfs/dbraw/zinc/58/59/94/891585994.db2.gz NQKPYEWPZWMMFM-ZJUUUORDSA-N 2 0 251.334 -0.206 20 0 CBADRP [NH3+]CC1(CC(=O)N2NC(=O)C[C@@]23CC[NH2+]C3)CC1 ZINC001354511984 891589429 /nfs/dbraw/zinc/58/94/29/891589429.db2.gz LOIHEEFHONMWGL-GFCCVEGCSA-N 2 0 252.318 -0.889 20 0 CBADRP O=C(CC[C@@H]1CCC[NH2+]1)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001354512682 891590295 /nfs/dbraw/zinc/59/02/95/891590295.db2.gz UVVGNNVJEIDRJQ-GXFFZTMASA-N 2 0 266.345 -0.486 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CC[NH2+]CCC1(C)C ZINC001354511684 891590676 /nfs/dbraw/zinc/59/06/76/891590676.db2.gz HXXCGSMAELGGKP-NSHDSACASA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@H](C[NH3+])C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001354698307 891608413 /nfs/dbraw/zinc/60/84/13/891608413.db2.gz XSQVZEYWEJWHNZ-MNOVXSKESA-N 2 0 255.362 -0.144 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001354695593 891609520 /nfs/dbraw/zinc/60/95/20/891609520.db2.gz KHWIQBHXWGQZNE-SRVKXCTJSA-N 2 0 267.373 -0.001 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)C[C@@H](C)[NH3+])C2 ZINC001354720231 891612261 /nfs/dbraw/zinc/61/22/61/891612261.db2.gz QPZLRLYRGINXPB-COMAGPEQSA-N 2 0 269.345 -0.537 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001354770884 891616145 /nfs/dbraw/zinc/61/61/45/891616145.db2.gz JIDNQVIBSFMMMC-QYNIQEEDSA-N 2 0 255.240 -0.692 20 0 CBADRP [NH3+][C@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[C@H]1C(F)(F)F ZINC001354781727 891616314 /nfs/dbraw/zinc/61/63/14/891616314.db2.gz NUERPRKRYSNCSB-RQJHMYQMSA-N 2 0 267.251 -0.941 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1[C@H](C)C[NH2+][C@H](C)[C@@H]1C ZINC001354892013 891628512 /nfs/dbraw/zinc/62/85/12/891628512.db2.gz FFCDJEITWNVHPT-LVEVGFFFSA-N 2 0 257.378 -0.200 20 0 CBADRP CCO[C@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C[NH+](C)C ZINC001354943436 891630541 /nfs/dbraw/zinc/63/05/41/891630541.db2.gz JXLCWEJQHKMHCQ-WYUUTHIRSA-N 2 0 255.362 -0.465 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001354969281 891633126 /nfs/dbraw/zinc/63/31/26/891633126.db2.gz HYZWRVIDFJISOP-LBPRGKRZSA-N 2 0 272.393 -0.848 20 0 CBADRP C[C@@]1(C(=O)NCCCCCN2CC[NH2+]CC2)C[NH2+]CCO1 ZINC001354970539 891634364 /nfs/dbraw/zinc/63/43/64/891634364.db2.gz NISTWTCMCUUOEG-HNNXBMFYSA-N 2 0 298.431 -0.443 20 0 CBADRP O=C(NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1CC[NH2+]1 ZINC001354977598 891634888 /nfs/dbraw/zinc/63/48/88/891634888.db2.gz DNWSNKDNNIUMLD-VHSXEESVSA-N 2 0 267.329 -0.850 20 0 CBADRP CC[NH2+]CC(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001355003641 891637075 /nfs/dbraw/zinc/63/70/75/891637075.db2.gz JKZIKRAVRLLYPX-NSHDSACASA-N 2 0 255.362 -0.048 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001355042125 891639731 /nfs/dbraw/zinc/63/97/31/891639731.db2.gz HZGFLQNRFFRNBX-GHMZBOCLSA-N 2 0 268.361 -0.948 20 0 CBADRP C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC001355052645 891639836 /nfs/dbraw/zinc/63/98/36/891639836.db2.gz ASDATOOMVCYXLT-NEPJUHHUSA-N 2 0 254.378 -0.665 20 0 CBADRP CC1(C(=O)N2CCC3(CC2)C[NH2+]CCO3)C[NH2+]C1 ZINC001355156337 891655922 /nfs/dbraw/zinc/65/59/22/891655922.db2.gz AKOINJHEYPANGZ-UHFFFAOYSA-N 2 0 253.346 -0.423 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001355497371 891683925 /nfs/dbraw/zinc/68/39/25/891683925.db2.gz GVBHLPVYXPHVLV-NNYUYHANSA-N 2 0 253.346 -0.236 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C[C@@H](C[NH3+])OC ZINC001355557982 891689966 /nfs/dbraw/zinc/68/99/66/891689966.db2.gz DJJBRHMPQTYNAF-QWRGUYRKSA-N 2 0 259.350 -0.813 20 0 CBADRP COCC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC001355558768 891690155 /nfs/dbraw/zinc/69/01/55/891690155.db2.gz LFEMIOGDPOAJIU-OFTGVCEQSA-N 2 0 267.373 -0.193 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C3(O)C[NH2+]C3)C[C@@H]2C1 ZINC001355709527 891702002 /nfs/dbraw/zinc/70/20/02/891702002.db2.gz XVCFKGJOWNYCLD-GRYCIOLGSA-N 2 0 267.373 -0.491 20 0 CBADRP COC[C@]1(C(=O)NC2CC3(CC([NH3+])C3)C2)CC[NH2+]C1 ZINC001356175141 891736008 /nfs/dbraw/zinc/73/60/08/891736008.db2.gz HKDOWNVXXKPLAY-CGTPWUTKSA-N 2 0 267.373 -0.001 20 0 CBADRP [NH3+]C1(CC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC001356228494 891740793 /nfs/dbraw/zinc/74/07/93/891740793.db2.gz RYTGSXCGWFAXEO-VXGBXAGGSA-N 2 0 267.373 -0.075 20 0 CBADRP C[C@H](NC(=O)CC[NH2+]C1CC1)[C@H]1C[N@H+](C)CCN1C ZINC001356252698 891744453 /nfs/dbraw/zinc/74/44/53/891744453.db2.gz JRQRAANKDDEGDX-WCQYABFASA-N 2 0 268.405 -0.121 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001356369421 891751506 /nfs/dbraw/zinc/75/15/06/891751506.db2.gz JRFBJZXHNDVBEA-ZDUSSCGKSA-N 2 0 296.415 -0.358 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001356412014 891757586 /nfs/dbraw/zinc/75/75/86/891757586.db2.gz DUJXVDJFQBYECS-WRWGMCAJSA-N 2 0 255.362 -0.193 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001356439233 891759553 /nfs/dbraw/zinc/75/95/53/891759553.db2.gz RVRAYPFFYVICCM-JTQLQIEISA-N 2 0 280.372 -0.806 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1C[NH2+]CC12CC2 ZINC001356473439 891769028 /nfs/dbraw/zinc/76/90/28/891769028.db2.gz VANCIZOOPUZPAX-NXEZZACHSA-N 2 0 255.387 -0.050 20 0 CBADRP C[C@@]1(C(=O)NCc2ccccc2C[NH3+])C[C@@H](O)C[NH2+]1 ZINC001356499226 891772896 /nfs/dbraw/zinc/77/28/96/891772896.db2.gz NLZIHULYALHBKK-OCCSQVGLSA-N 2 0 263.341 -0.126 20 0 CBADRP C[C@]1(C(=O)NCc2ccccc2C[NH3+])C[C@@H](O)C[NH2+]1 ZINC001356499228 891773621 /nfs/dbraw/zinc/77/36/21/891773621.db2.gz NLZIHULYALHBKK-TZMCWYRMSA-N 2 0 263.341 -0.126 20 0 CBADRP C[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)N(C)C ZINC001356569207 891781327 /nfs/dbraw/zinc/78/13/27/891781327.db2.gz DAWMPJFTTQBEHZ-CHWSQXEVSA-N 2 0 258.410 -0.866 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CCNCC[NH2+]CC1 ZINC001356597994 891784679 /nfs/dbraw/zinc/78/46/79/891784679.db2.gz XACFZEXGVHEECW-LBPRGKRZSA-N 2 0 271.409 -0.469 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)N2CCNCC[NH2+]CC2)CC[N@@H+]1C ZINC001357241666 891862429 /nfs/dbraw/zinc/86/24/29/891862429.db2.gz JYFCOFRZEDMAPB-CHWSQXEVSA-N 2 0 283.420 -0.327 20 0 CBADRP C[C@H](NC(=O)NCC1([NH3+])CC1)[C@@H]1CN(C)CCO1 ZINC001357262880 891867004 /nfs/dbraw/zinc/86/70/04/891867004.db2.gz WPRLRQLXVZINRM-UWVGGRQHSA-N 2 0 256.350 -0.504 20 0 CBADRP C[C@@]1(C(=O)NCCC[NH+]2CCCC2)C[C@H](O)C[NH2+]1 ZINC001357338791 891872647 /nfs/dbraw/zinc/87/26/47/891872647.db2.gz XEDLGJPHUVDHRK-AAEUAGOBSA-N 2 0 255.362 -0.299 20 0 CBADRP CC(C)(O)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001357369670 891877633 /nfs/dbraw/zinc/87/76/33/891877633.db2.gz ZJHVYEAJUQESJL-OUAUKWLOSA-N 2 0 255.362 -0.172 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C23CC(C2)C[NH2+]3)C1 ZINC001357384005 891879001 /nfs/dbraw/zinc/87/90/01/891879001.db2.gz CWVUMHQFHVOWRM-AVERBVTBSA-N 2 0 294.399 -0.558 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC001357405473 891887232 /nfs/dbraw/zinc/88/72/32/891887232.db2.gz RTUKRDWFYDBRBT-DGCLKSJQSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)CNCC[NH3+])c2ccccc2O1 ZINC001357429409 891889641 /nfs/dbraw/zinc/88/96/41/891889641.db2.gz ZPMPKLXYTXSMMO-GFCCVEGCSA-N 2 0 292.383 -0.110 20 0 CBADRP CC(C)OCC[NH+]1CCC(NC(=O)CNCC[NH3+])CC1 ZINC001357427875 891891592 /nfs/dbraw/zinc/89/15/92/891891592.db2.gz HLMOSYIYZPPJFC-UHFFFAOYSA-N 2 0 286.420 -0.460 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC001357433487 891892698 /nfs/dbraw/zinc/89/26/98/891892698.db2.gz BTAXQQAWSLNKRO-NSHDSACASA-N 2 0 269.393 -0.811 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001357431413 891892736 /nfs/dbraw/zinc/89/27/36/891892736.db2.gz USQFNWIYIPHNPV-CQSZACIVSA-N 2 0 297.447 -0.966 20 0 CBADRP [NH3+]CCc1ccc(C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC001357453891 891897263 /nfs/dbraw/zinc/89/72/63/891897263.db2.gz RZXHZYYHEAXLAR-CYBMUJFWSA-N 2 0 263.341 -0.013 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC001357457414 891897619 /nfs/dbraw/zinc/89/76/19/891897619.db2.gz JEXURISTIXVKFE-KXUCPTDWSA-N 2 0 257.334 -0.524 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001357464790 891897652 /nfs/dbraw/zinc/89/76/52/891897652.db2.gz XEDJZVYHYDFCTO-SNVBAGLBSA-N 2 0 258.366 -0.127 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001357471364 891900269 /nfs/dbraw/zinc/90/02/69/891900269.db2.gz DPBJPKQSADQMKY-BJDJZHNGSA-N 2 0 255.362 -0.587 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001357532330 891910496 /nfs/dbraw/zinc/91/04/96/891910496.db2.gz LDILQBKJAYZILB-NWDGAFQWSA-N 2 0 270.377 -0.397 20 0 CBADRP CC1(C)CN(C(=O)NC[C@@H]2COCC[NH2+]2)C[C@@H]1[NH3+] ZINC001357519700 891911504 /nfs/dbraw/zinc/91/15/04/891911504.db2.gz XUTLISICKONKNV-ZJUUUORDSA-N 2 0 256.350 -0.647 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC001357572926 891913625 /nfs/dbraw/zinc/91/36/25/891913625.db2.gz MPGZPLMCTIIQLZ-JQWIXIFHSA-N 2 0 257.378 -0.245 20 0 CBADRP O=C(NCC[N@@H+]1CCCOCC1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001357545548 891914298 /nfs/dbraw/zinc/91/42/98/891914298.db2.gz LWRLYMVAAUYESS-JSGCOSHPSA-N 2 0 267.373 -0.176 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCCN1CCC([NH3+])CC1 ZINC001357583506 891916843 /nfs/dbraw/zinc/91/68/43/891916843.db2.gz VIQPNYZQIMBPBJ-CMPLNLGQSA-N 2 0 269.393 -0.459 20 0 CBADRP C[C@]1(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)C[C@H](O)C[NH2+]1 ZINC001357662015 891925596 /nfs/dbraw/zinc/92/55/96/891925596.db2.gz YFRCDYKRNFWDMO-NTZNESFSSA-N 2 0 267.373 -0.110 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)NCCC[NH2+]C1CC1 ZINC001357678745 891925952 /nfs/dbraw/zinc/92/59/52/891925952.db2.gz NNQZTGYCQBZUJY-UHFFFAOYSA-N 2 0 251.334 -0.249 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001357813164 891938307 /nfs/dbraw/zinc/93/83/07/891938307.db2.gz XYOLUZDFEIWMLT-NSHDSACASA-N 2 0 252.362 -0.898 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2COC3(C[NH2+]C3)C2)C1 ZINC001357846945 891939348 /nfs/dbraw/zinc/93/93/48/891939348.db2.gz OQMYGHISXBTTOE-WDEREUQCSA-N 2 0 253.346 -0.425 20 0 CBADRP CC(C)C[C@H]([NH3+])CC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001357910709 891943008 /nfs/dbraw/zinc/94/30/08/891943008.db2.gz QGZJZFVCIXCHCN-NSHDSACASA-N 2 0 255.362 -0.049 20 0 CBADRP COc1cccc([C@H]([NH3+])C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC001357891318 891943654 /nfs/dbraw/zinc/94/36/54/891943654.db2.gz ZQDKDNGFECEHFB-WOPDTQHZSA-N 2 0 265.313 -0.856 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC1(C[NH3+])CCCCC1 ZINC001357981436 891955004 /nfs/dbraw/zinc/95/50/04/891955004.db2.gz QGXWRRXVVUXLEA-LLVKDONJSA-N 2 0 254.378 -0.332 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH2+]C[C@H]1CO ZINC001358026578 891956844 /nfs/dbraw/zinc/95/68/44/891956844.db2.gz HINGRGMWEXUAHQ-TUAOUCFPSA-N 2 0 255.362 -0.348 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001358070352 891964962 /nfs/dbraw/zinc/96/49/62/891964962.db2.gz MJLIDDJRJFAUTE-MDZLAQPJSA-N 2 0 255.362 -0.537 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)[C@H](N)CC[NH+](C)C ZINC001358083534 891969475 /nfs/dbraw/zinc/96/94/75/891969475.db2.gz QFLXREIMBUMVPY-IJLUTSLNSA-N 2 0 256.394 -0.373 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC001358083044 891969506 /nfs/dbraw/zinc/96/95/06/891969506.db2.gz FCNHHMUURYAZDM-IJLUTSLNSA-N 2 0 255.362 -0.273 20 0 CBADRP [NH3+]CCOCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001358129655 891975763 /nfs/dbraw/zinc/97/57/63/891975763.db2.gz BEHVBZSDCBZXPJ-SFYZADRCSA-N 2 0 269.267 -0.300 20 0 CBADRP CCO[C@@H](CNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21)C[NH+](C)C ZINC001358201876 891979910 /nfs/dbraw/zinc/97/99/10/891979910.db2.gz FBAQTSNGUUMXAA-FIQHERPVSA-N 2 0 255.362 -0.323 20 0 CBADRP CC[NH2+]CC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001358213069 891982338 /nfs/dbraw/zinc/98/23/38/891982338.db2.gz JYZKIZABQJSIMB-SNVBAGLBSA-N 2 0 269.345 -0.603 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001362282766 892564645 /nfs/dbraw/zinc/56/46/45/892564645.db2.gz GIXZZAGOTUGLCY-OLZOCXBDSA-N 2 0 286.395 -0.218 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC1CN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001450384655 913689626 /nfs/dbraw/zinc/68/96/26/913689626.db2.gz WKPMBANJPHCWAG-LBPRGKRZSA-N 2 0 296.415 -0.395 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1CN(C(=O)CC[NH+](C)C)C1 ZINC001450635728 913724239 /nfs/dbraw/zinc/72/42/39/913724239.db2.gz SNCKUBIQTFQLPA-UHFFFAOYSA-N 2 0 298.431 -0.147 20 0 CBADRP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21)[C@@H]1CCC[C@H]1O ZINC001362913916 893166831 /nfs/dbraw/zinc/16/68/31/893166831.db2.gz AZYHLAWAVGGASO-REWJHTLYSA-N 2 0 281.400 -0.006 20 0 CBADRP O=C(CC[N@@H+]1CC[C@H](F)C1)N[C@@H](CO)C[NH+]1CCCC1 ZINC001362963581 893210105 /nfs/dbraw/zinc/21/01/05/893210105.db2.gz UGIQTGSBLPGUAN-QWHCGFSZSA-N 2 0 287.379 -0.007 20 0 CBADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCN2C[C@H]3C)C1 ZINC001362971169 893219813 /nfs/dbraw/zinc/21/98/13/893219813.db2.gz PRAMWKQKQLKQHY-HZSPNIEDSA-N 2 0 280.416 -0.025 20 0 CBADRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001450929220 913749978 /nfs/dbraw/zinc/74/99/78/913749978.db2.gz GZPBLQXITOSXCU-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC001363127799 893386739 /nfs/dbraw/zinc/38/67/39/893386739.db2.gz PEQHSXMJDMFGOL-KGLIPLIRSA-N 2 0 280.416 -0.071 20 0 CBADRP O=C(CC[NH+]1CC[C@@H](F)C1)NCC[N@H+]1CC[C@@H](O)C1 ZINC001363213068 893466241 /nfs/dbraw/zinc/46/62/41/893466241.db2.gz VLAQVOZXVUUVTA-VXGBXAGGSA-N 2 0 273.352 -0.397 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001363295211 893551349 /nfs/dbraw/zinc/55/13/49/893551349.db2.gz ZZLZXOKMXOHTJD-OLZOCXBDSA-N 2 0 297.399 -0.109 20 0 CBADRP C[N@H+](CC(=O)NCC[NH+]1CC[C@@H](O)C1)[C@@H]1CCC[C@H]1O ZINC001363506975 893747228 /nfs/dbraw/zinc/74/72/28/893747228.db2.gz KBBMGYNCZPZVPC-JHJVBQTASA-N 2 0 285.388 -0.986 20 0 CBADRP CC[NH+]1CCC(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001363601937 893837888 /nfs/dbraw/zinc/83/78/88/893837888.db2.gz JIPHEUMZVGVSKC-ZDUSSCGKSA-N 2 0 290.429 -0.143 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCN(C(=O)CC[N@@H+]2CC[C@H](F)C2)C1 ZINC001363677679 893910133 /nfs/dbraw/zinc/91/01/33/893910133.db2.gz OVVLLEMGGSGNCJ-JSGCOSHPSA-N 2 0 287.379 -0.055 20 0 CBADRP C[NH+]1CCC(NC(=O)C[NH2+]C2(CO)CCOCC2)CC1 ZINC001363767545 893975492 /nfs/dbraw/zinc/97/54/92/893975492.db2.gz ARTMOTRSMJCIDQ-UHFFFAOYSA-N 2 0 285.388 -0.672 20 0 CBADRP CCc1nccn1CCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001364060842 894171489 /nfs/dbraw/zinc/17/14/89/894171489.db2.gz TYYWBKJHWAEMAL-CHWSQXEVSA-N 2 0 291.399 -0.050 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)CCC(N)=O)CC1 ZINC001364399502 894392317 /nfs/dbraw/zinc/39/23/17/894392317.db2.gz CAAIRASRYYJVLN-UHFFFAOYSA-N 2 0 284.404 -0.217 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ns[nH]c1=O ZINC001364488863 894453973 /nfs/dbraw/zinc/45/39/73/894453973.db2.gz DCYFECIHJVBHDN-UHFFFAOYSA-N 2 0 287.389 -0.603 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1C[NH+](C)CC1(C)C ZINC001364955793 894700590 /nfs/dbraw/zinc/70/05/90/894700590.db2.gz RNPKQVBLSPCKGQ-FRRDWIJNSA-N 2 0 280.416 -0.169 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001365841011 895131935 /nfs/dbraw/zinc/13/19/35/895131935.db2.gz VGKANSIWPGWDOC-GMTAPVOTSA-N 2 0 270.377 -0.704 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001365834833 895132223 /nfs/dbraw/zinc/13/22/23/895132223.db2.gz QWKXCPHZDIGZMC-AAVRWANBSA-N 2 0 299.415 -0.428 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1)C(N)=O ZINC001365841009 895132445 /nfs/dbraw/zinc/13/24/45/895132445.db2.gz VGKANSIWPGWDOC-DCAQKATOSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001365953400 895148954 /nfs/dbraw/zinc/14/89/54/895148954.db2.gz SUNULMCJPRXKBB-ZIAGYGMSSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@H+](CCO)C1 ZINC001365953390 895149554 /nfs/dbraw/zinc/14/95/54/895149554.db2.gz SUNULMCJPRXKBB-KBPBESRZSA-N 2 0 299.415 -0.472 20 0 CBADRP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C[C@@H](O)COC)C1)[NH+](C)C ZINC001365984978 895161318 /nfs/dbraw/zinc/16/13/18/895161318.db2.gz MJIMVNLMANILIU-JHJVBQTASA-N 2 0 287.404 -0.476 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCn2cncn2)C1 ZINC001365992344 895167251 /nfs/dbraw/zinc/16/72/51/895167251.db2.gz GGGYWGAVXCJXMM-ZDUSSCGKSA-N 2 0 294.403 -0.190 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001366046963 895177455 /nfs/dbraw/zinc/17/74/55/895177455.db2.gz QPPKNKWMERQBHE-CHWSQXEVSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H]([NH2+][C@@H](CNC(=O)Cc1ncc[nH]1)C1CC1)C(N)=O ZINC001366065913 895181177 /nfs/dbraw/zinc/18/11/77/895181177.db2.gz WUDMWGYUVJGINK-SCZZXKLOSA-N 2 0 279.344 -0.690 20 0 CBADRP C[C@@H]([NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1)C(N)=O ZINC001366070348 895181862 /nfs/dbraw/zinc/18/18/62/895181862.db2.gz WVUGDCWGZOTIJX-PWSUYJOCSA-N 2 0 294.399 -0.560 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001366072987 895182166 /nfs/dbraw/zinc/18/21/66/895182166.db2.gz DSVCPHXUJUVEJL-CHWSQXEVSA-N 2 0 296.415 -0.406 20 0 CBADRP CNC(=O)C[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001366078877 895185821 /nfs/dbraw/zinc/18/58/21/895185821.db2.gz FWAKFABBGBWQHO-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H]([NH2+][C@H]1CCNC1=O)C1CC1 ZINC001366082607 895186064 /nfs/dbraw/zinc/18/60/64/895186064.db2.gz ZOVSHDBGCOETBL-QWHCGFSZSA-N 2 0 294.399 -0.545 20 0 CBADRP CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001366090442 895188577 /nfs/dbraw/zinc/18/85/77/895188577.db2.gz NNKPFPQMKASWRT-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001366102391 895190444 /nfs/dbraw/zinc/19/04/44/895190444.db2.gz LGUPJUQVGWOBPA-LBPRGKRZSA-N 2 0 294.403 -0.153 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001366103608 895192119 /nfs/dbraw/zinc/19/21/19/895192119.db2.gz JOEJLDHPPQDDLL-LBPRGKRZSA-N 2 0 294.403 -0.154 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001366128763 895202453 /nfs/dbraw/zinc/20/24/53/895202453.db2.gz CCHIGDVXZIQPKL-JOCQHMNTSA-N 2 0 296.415 -0.158 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001366128112 895202878 /nfs/dbraw/zinc/20/28/78/895202878.db2.gz NSQPVGBBYIEMFO-AVGNSLFASA-N 2 0 296.415 -0.301 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1)[NH+](C)C ZINC001366158970 895208130 /nfs/dbraw/zinc/20/81/30/895208130.db2.gz IUWPDNNZDAOQGM-RNJOBUHISA-N 2 0 296.415 -0.158 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001366158484 895208845 /nfs/dbraw/zinc/20/88/45/895208845.db2.gz VRLZBPXMTXTMPM-FVCCEPFGSA-N 2 0 298.431 -0.056 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001366158491 895208896 /nfs/dbraw/zinc/20/88/96/895208896.db2.gz VRLZBPXMTXTMPM-WUHRBBMRSA-N 2 0 298.431 -0.056 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001366154618 895209398 /nfs/dbraw/zinc/20/93/98/895209398.db2.gz HZDHISNLIXYYOW-TUAOUCFPSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC)C2)CC[N@@H+]1C ZINC001366152264 895210129 /nfs/dbraw/zinc/21/01/29/895210129.db2.gz VSORSMZSACRBMI-QNWHQSFQSA-N 2 0 296.415 -0.301 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001366160194 895211762 /nfs/dbraw/zinc/21/17/62/895211762.db2.gz DELSMCRLQNIBIO-OUAUKWLOSA-N 2 0 270.377 -0.691 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)[NH+](C)C ZINC001366165022 895212744 /nfs/dbraw/zinc/21/27/44/895212744.db2.gz ZCECHJDIBDVJQJ-WHOHXGKFSA-N 2 0 282.388 -0.548 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001366174585 895213207 /nfs/dbraw/zinc/21/32/07/895213207.db2.gz YNKXGQUDWYDPIZ-BETUJISGSA-N 2 0 294.403 -0.143 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001366169280 895214940 /nfs/dbraw/zinc/21/49/40/895214940.db2.gz IRVRWEBVDRJVGR-TXEJJXNPSA-N 2 0 294.403 -0.106 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+](CC(=O)NC)C1 ZINC001366190620 895218814 /nfs/dbraw/zinc/21/88/14/895218814.db2.gz VWUZUPJAEBVLPQ-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+]CC(N)=O ZINC001366364063 895296207 /nfs/dbraw/zinc/29/62/07/895296207.db2.gz JPKCPIUQWHIVAG-GFCCVEGCSA-N 2 0 284.404 -0.168 20 0 CBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001366384101 895305144 /nfs/dbraw/zinc/30/51/44/895305144.db2.gz DTUVBTCDARUOSQ-NWDGAFQWSA-N 2 0 275.368 -0.151 20 0 CBADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C1)C(N)=O ZINC001366394530 895308269 /nfs/dbraw/zinc/30/82/69/895308269.db2.gz VOTSNEPXYFEPHN-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001366392770 895311380 /nfs/dbraw/zinc/31/13/80/895311380.db2.gz XNQYRHKVJBTUNO-STQMWFEESA-N 2 0 296.415 -0.252 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001366405087 895312368 /nfs/dbraw/zinc/31/23/68/895312368.db2.gz UAASTWYZUHPSJN-NEPJUHHUSA-N 2 0 296.415 -0.360 20 0 CBADRP Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001366403105 895313255 /nfs/dbraw/zinc/31/32/55/895313255.db2.gz OWEVFSMWNUQCSA-GFCCVEGCSA-N 2 0 294.403 -0.295 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001366403397 895314451 /nfs/dbraw/zinc/31/44/51/895314451.db2.gz QEXBSTNLQSOERA-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CCN1CC[C@@H](N(C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001366522424 895348947 /nfs/dbraw/zinc/34/89/47/895348947.db2.gz XWJVJOSMFIGZCL-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)[C@H](C)N1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001366674844 895425270 /nfs/dbraw/zinc/42/52/70/895425270.db2.gz IQDNVCJOJXZJHT-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)(C(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1)[NH+]1CCCC1 ZINC001366694559 895431148 /nfs/dbraw/zinc/43/11/48/895431148.db2.gz DEEOSFQRDSCUEZ-GFCCVEGCSA-N 2 0 296.415 -0.216 20 0 CBADRP O=C(NCC[N@@H+](CCO)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001366746955 895448699 /nfs/dbraw/zinc/44/86/99/895448699.db2.gz SPPCLWNKIGJKIJ-CQSZACIVSA-N 2 0 281.400 -0.099 20 0 CBADRP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)CCC[NH+](C)C ZINC001366775348 895458480 /nfs/dbraw/zinc/45/84/80/895458480.db2.gz MKEYICMRGTYUOI-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC[N@H+](C)CCC(=O)N(C)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001366780753 895459939 /nfs/dbraw/zinc/45/99/39/895459939.db2.gz WULVCHLZXIGEAB-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@H]([NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001366777806 895460274 /nfs/dbraw/zinc/46/02/74/895460274.db2.gz SJDWZNCPSZUSIG-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)C(=O)N(C)C ZINC001366782155 895460335 /nfs/dbraw/zinc/46/03/35/895460335.db2.gz ZOKUXUMEAZTWRZ-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP CC[C@H]([NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001366814520 895463217 /nfs/dbraw/zinc/46/32/17/895463217.db2.gz ISASJQNXNNGUST-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001366832860 895466311 /nfs/dbraw/zinc/46/63/11/895466311.db2.gz HXJBNWHVAAANJY-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001366885906 895478315 /nfs/dbraw/zinc/47/83/15/895478315.db2.gz XOTRBDGWJQTWMF-GXTWGEPZSA-N 2 0 298.431 -0.162 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1C[NH+](C[C@H](C)O)C1 ZINC001366987540 895517183 /nfs/dbraw/zinc/51/71/83/895517183.db2.gz DSEMHDNNUWTOJM-OLZOCXBDSA-N 2 0 299.415 -0.617 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C[C@H](O)COC)C1)[NH+](C)C ZINC001367032692 895536323 /nfs/dbraw/zinc/53/63/23/895536323.db2.gz MJIMVNLMANILIU-AGIUHOORSA-N 2 0 287.404 -0.476 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001367039011 895544077 /nfs/dbraw/zinc/54/40/77/895544077.db2.gz MNWREPYLDUFFCW-CHWSQXEVSA-N 2 0 287.404 -0.476 20 0 CBADRP CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@@H](C)C(N)=O ZINC001367115665 895568345 /nfs/dbraw/zinc/56/83/45/895568345.db2.gz PYGLLVYFNHGFPF-RYUDHWBXSA-N 2 0 296.415 -0.027 20 0 CBADRP CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(N)=O ZINC001367126846 895571395 /nfs/dbraw/zinc/57/13/95/895571395.db2.gz VXCJJHVOFDGTFZ-JTQLQIEISA-N 2 0 270.377 -0.702 20 0 CBADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001367138212 895574222 /nfs/dbraw/zinc/57/42/22/895574222.db2.gz HOLXQXUWVTUAPP-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N1CCC1 ZINC001367145808 895574312 /nfs/dbraw/zinc/57/43/12/895574312.db2.gz YKRAYZCIKAEGGP-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N1CCC1 ZINC001367145807 895575742 /nfs/dbraw/zinc/57/57/42/895575742.db2.gz YKRAYZCIKAEGGP-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C[NH2+]CC(N)=O)CCCC1 ZINC001367157799 895578801 /nfs/dbraw/zinc/57/88/01/895578801.db2.gz KGFAEIOPQMQREM-LBPRGKRZSA-N 2 0 296.415 -0.025 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001367201722 895583112 /nfs/dbraw/zinc/58/31/12/895583112.db2.gz QICHANAOQFQKFZ-AVGNSLFASA-N 2 0 296.415 -0.299 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001367221690 895584801 /nfs/dbraw/zinc/58/48/01/895584801.db2.gz VRQGGFGQIJTKTG-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]CC(N)=O)[NH+](C)C ZINC001367270541 895602818 /nfs/dbraw/zinc/60/28/18/895602818.db2.gz QIKBEYKBYZXHAL-CMPLNLGQSA-N 2 0 272.393 -0.600 20 0 CBADRP C[C@@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001367365532 895627229 /nfs/dbraw/zinc/62/72/29/895627229.db2.gz ZCGZBRYYBWZOLH-AAEUAGOBSA-N 2 0 294.403 -0.154 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001367381676 895630406 /nfs/dbraw/zinc/63/04/06/895630406.db2.gz ZSWXTNITCDOSKR-MNOVXSKESA-N 2 0 272.393 -0.491 20 0 CBADRP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001367425585 895635076 /nfs/dbraw/zinc/63/50/76/895635076.db2.gz USYQYIQVPYVSRW-LBPRGKRZSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001367440441 895635203 /nfs/dbraw/zinc/63/52/03/895635203.db2.gz GBLPWUDVQFSODC-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(N)=O ZINC001367465539 895639556 /nfs/dbraw/zinc/63/95/56/895639556.db2.gz NCRUEHILAFRCFK-IJLUTSLNSA-N 2 0 284.404 -0.458 20 0 CBADRP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(N)=O ZINC001367465541 895639847 /nfs/dbraw/zinc/63/98/47/895639847.db2.gz NCRUEHILAFRCFK-UTUOFQBUSA-N 2 0 284.404 -0.458 20 0 CBADRP CC(C)[C@@H](CNC(=O)Cc1c[nH]cn1)[NH2+][C@H](C)C(N)=O ZINC001367488165 895642476 /nfs/dbraw/zinc/64/24/76/895642476.db2.gz WWMUTLAJUGAXCL-MWLCHTKSSA-N 2 0 281.360 -0.444 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC(N)=O)CCC1 ZINC001367558096 895662448 /nfs/dbraw/zinc/66/24/48/895662448.db2.gz BRDUZPJNQRXYEP-NEPJUHHUSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@@H](O)C[NH2+]C[C@@H]2CCOC2)CCC1 ZINC001367592020 895687816 /nfs/dbraw/zinc/68/78/16/895687816.db2.gz GDGZHZPCQLEKPV-STQMWFEESA-N 2 0 299.415 -0.426 20 0 CBADRP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)ncn1 ZINC001367601284 895693963 /nfs/dbraw/zinc/69/39/63/895693963.db2.gz MIFITLWUPDZHOT-ZDUSSCGKSA-N 2 0 295.387 -0.697 20 0 CBADRP CC[NH2+]C[C@@H](O)CNC(=O)COC1CC[NH+](C)CC1 ZINC001367618239 895706141 /nfs/dbraw/zinc/70/61/41/895706141.db2.gz OXFHOTYFYIKJJW-LLVKDONJSA-N 2 0 273.377 -0.816 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001367645038 895720167 /nfs/dbraw/zinc/72/01/67/895720167.db2.gz RPRUPTQWXIPNSW-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001367645055 895720893 /nfs/dbraw/zinc/72/08/93/895720893.db2.gz RPRUPTQWXIPNSW-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)C1(C[NH+](C)C)CC1 ZINC001367649751 895723498 /nfs/dbraw/zinc/72/34/98/895723498.db2.gz SEWAYHBKGJCKJK-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001367662940 895731753 /nfs/dbraw/zinc/73/17/53/895731753.db2.gz VBGFSZBKDKSEHU-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP CCN(CC[NH2+][C@H]1CCCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001367693379 895748108 /nfs/dbraw/zinc/74/81/08/895748108.db2.gz RQUOKEPBSUGETQ-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001367694690 895751856 /nfs/dbraw/zinc/75/18/56/895751856.db2.gz CHXUXUWCGSCLCI-LLVKDONJSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001367697963 895753721 /nfs/dbraw/zinc/75/37/21/895753721.db2.gz XNMSQETVPUNUMF-GFCCVEGCSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001367741549 895784103 /nfs/dbraw/zinc/78/41/03/895784103.db2.gz SBLGDPSDFCSZKQ-CMPLNLGQSA-N 2 0 282.392 -0.250 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(=O)NC1CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367750882 895787739 /nfs/dbraw/zinc/78/77/39/895787739.db2.gz UPQLFUJWIWRAQN-GMXVVIOVSA-N 2 0 296.415 -0.158 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001367770824 895800193 /nfs/dbraw/zinc/80/01/93/895800193.db2.gz HOSGOIOUXQYFLA-NSHDSACASA-N 2 0 282.388 -0.735 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001367922309 895853360 /nfs/dbraw/zinc/85/33/60/895853360.db2.gz UIQHARNKNFJUSZ-CHWSQXEVSA-N 2 0 296.415 -0.170 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001367926904 895853591 /nfs/dbraw/zinc/85/35/91/895853591.db2.gz WDAYDEKXSYTCRM-RYUDHWBXSA-N 2 0 282.388 -0.832 20 0 CBADRP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001368001033 895888162 /nfs/dbraw/zinc/88/81/62/895888162.db2.gz BWLNWMPMFJWQHC-FRRDWIJNSA-N 2 0 299.415 -0.428 20 0 CBADRP CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001368014016 895891474 /nfs/dbraw/zinc/89/14/74/895891474.db2.gz NBKNPGGXTWHXKA-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC(C)(C(=O)NCC1([NH2+]CC(N)=O)CC1)[NH+]1CCCC1 ZINC001368014242 895893693 /nfs/dbraw/zinc/89/36/93/895893693.db2.gz VSMHSGXLFVATGF-UHFFFAOYSA-N 2 0 282.388 -0.416 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC(=O)NC2CC2)CC1 ZINC001368040281 895896716 /nfs/dbraw/zinc/89/67/16/895896716.db2.gz FHTTZWHXQSHNMG-UHFFFAOYSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NCC2([NH2+]CCO)CC2)cn1 ZINC001368028637 895896935 /nfs/dbraw/zinc/89/69/35/895896935.db2.gz WSQQZWQOELWIHY-UHFFFAOYSA-N 2 0 295.387 -0.711 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001368111329 895916414 /nfs/dbraw/zinc/91/64/14/895916414.db2.gz VRQGGFGQIJTKTG-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001368104032 895916866 /nfs/dbraw/zinc/91/68/66/895916866.db2.gz ALPKPXWDOPNHIN-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001368259075 895949688 /nfs/dbraw/zinc/94/96/88/895949688.db2.gz JJDFGPSMXIJUGZ-GXTWGEPZSA-N 2 0 287.404 -0.738 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001368262563 895950560 /nfs/dbraw/zinc/95/05/60/895950560.db2.gz PQKMMOFHHMKUIG-OCCSQVGLSA-N 2 0 285.388 -0.984 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](CCCO)C1 ZINC001368277066 895958193 /nfs/dbraw/zinc/95/81/93/895958193.db2.gz ISGSOSZOEGVMNP-AWEZNQCLSA-N 2 0 287.404 -0.736 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001368465463 896016410 /nfs/dbraw/zinc/01/64/10/896016410.db2.gz NDYSOOIYFFKIEN-XQQFMLRXSA-N 2 0 296.415 -0.347 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001368577926 896038166 /nfs/dbraw/zinc/03/81/66/896038166.db2.gz DGFURVFCBYTKED-HAQNSBGRSA-N 2 0 284.404 -0.489 20 0 CBADRP Cn1cnnc1C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001368578447 896042441 /nfs/dbraw/zinc/04/24/41/896042441.db2.gz GWJZIZWJAVFSLA-HAQNSBGRSA-N 2 0 294.403 -0.249 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001368606887 896044607 /nfs/dbraw/zinc/04/46/07/896044607.db2.gz OFOOUIZAQGVNKF-HAQNSBGRSA-N 2 0 294.399 -0.687 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC(C)([NH2+]CC(N)=O)CC1 ZINC001368655337 896056590 /nfs/dbraw/zinc/05/65/90/896056590.db2.gz LTPAJEHMQBCLOV-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH+](CCO)CCO)C1 ZINC001368727283 896067140 /nfs/dbraw/zinc/06/71/40/896067140.db2.gz GFPIMWOOVNSZSZ-CYBMUJFWSA-N 2 0 287.404 -0.784 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CCO)[C@@H]1C ZINC001368796841 896081726 /nfs/dbraw/zinc/08/17/26/896081726.db2.gz JCFASOGHRWEPHX-MCIONIFRSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@@H](O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001368988253 896133023 /nfs/dbraw/zinc/13/30/23/896133023.db2.gz QVNQFCKHOYUUJG-RWMBFGLXSA-N 2 0 287.404 -0.476 20 0 CBADRP CCCC[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001369056801 896143602 /nfs/dbraw/zinc/14/36/02/896143602.db2.gz MXMXDIDCXACZDB-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001369175998 896165228 /nfs/dbraw/zinc/16/52/28/896165228.db2.gz OJUWPZYJACIVEN-JOCQHMNTSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001369176919 896165697 /nfs/dbraw/zinc/16/56/97/896165697.db2.gz NALJQPOXLZNDDI-JOCQHMNTSA-N 2 0 298.431 -0.099 20 0 CBADRP CCN1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H](C)O)C2)C1 ZINC001369186793 896167201 /nfs/dbraw/zinc/16/72/01/896167201.db2.gz SJLBTYKRHJSCDA-XUXIUFHCSA-N 2 0 299.415 -0.428 20 0 CBADRP Cc1nc[nH]c1CC(=O)NCC[C@@H]([NH2+]CC(N)=O)C(C)C ZINC001369197192 896167357 /nfs/dbraw/zinc/16/73/57/896167357.db2.gz AJWZTOXWGLDTLB-LLVKDONJSA-N 2 0 295.387 -0.134 20 0 CBADRP CCN1CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)C1=O ZINC001369275216 896184243 /nfs/dbraw/zinc/18/42/43/896184243.db2.gz IUTZRTQMLAOCML-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCF ZINC001369331049 896220164 /nfs/dbraw/zinc/22/01/64/896220164.db2.gz DWAYHUUXFSHBEH-RYUDHWBXSA-N 2 0 275.368 -0.105 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001369403182 896259692 /nfs/dbraw/zinc/25/96/92/896259692.db2.gz OTRVKBXHHBQGCW-RYUDHWBXSA-N 2 0 296.415 -0.204 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC)C(C)(C)C1 ZINC001369451395 896273601 /nfs/dbraw/zinc/27/36/01/896273601.db2.gz XJZSRHKGLZVPJF-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP CN(C[C@H](O)C[N@H+](C)CCCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001369516866 896305594 /nfs/dbraw/zinc/30/55/94/896305594.db2.gz TZOLOEOHCFUXGS-QWHCGFSZSA-N 2 0 287.404 -0.928 20 0 CBADRP C[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001369515418 896308804 /nfs/dbraw/zinc/30/88/04/896308804.db2.gz NUZONPIMRJEXKP-QWHCGFSZSA-N 2 0 287.404 -0.786 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001369754005 896334756 /nfs/dbraw/zinc/33/47/56/896334756.db2.gz SYCAXAXCGYVDEF-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001370219912 896410760 /nfs/dbraw/zinc/41/07/60/896410760.db2.gz CLUWGTGTELALRG-AAEUAGOBSA-N 2 0 296.415 -0.441 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001370264888 896413667 /nfs/dbraw/zinc/41/36/67/896413667.db2.gz LAJYCIWFHGCUPA-QWRGUYRKSA-N 2 0 270.377 -0.704 20 0 CBADRP CC[C@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001370264892 896414271 /nfs/dbraw/zinc/41/42/71/896414271.db2.gz LAJYCIWFHGCUPA-WDEREUQCSA-N 2 0 270.377 -0.704 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001370409726 896422223 /nfs/dbraw/zinc/42/22/23/896422223.db2.gz XZMPPCAULNNGMO-RWMBFGLXSA-N 2 0 285.388 -0.864 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001370394510 896422909 /nfs/dbraw/zinc/42/29/09/896422909.db2.gz ZFUFJSFVJHTGRP-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(=O)N(C)C ZINC001370387586 896423788 /nfs/dbraw/zinc/42/37/88/896423788.db2.gz AMJDGYPJUBNQEB-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001370664128 896470461 /nfs/dbraw/zinc/47/04/61/896470461.db2.gz IRKIKFKJGDDFEK-GRYCIOLGSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC)C1)[NH+](C)C ZINC001370709803 896483634 /nfs/dbraw/zinc/48/36/34/896483634.db2.gz DSOKNHAILLANRG-YFKTTZPYSA-N 2 0 284.404 -0.302 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]([NH2+]C[C@H](C)O)C1 ZINC001370712581 896486994 /nfs/dbraw/zinc/48/69/94/896486994.db2.gz COKRSGOSKGPGSR-RQJABVFESA-N 2 0 299.415 -0.428 20 0 CBADRP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001370801814 896504135 /nfs/dbraw/zinc/50/41/35/896504135.db2.gz CXCWHIAXMLHNOS-JSGCOSHPSA-N 2 0 298.431 -0.114 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001370830749 896508679 /nfs/dbraw/zinc/50/86/79/896508679.db2.gz IBFVALMNUISCBD-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001370826681 896509181 /nfs/dbraw/zinc/50/91/81/896509181.db2.gz CXCWHIAXMLHNOS-GXTWGEPZSA-N 2 0 298.431 -0.114 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001371138720 896555662 /nfs/dbraw/zinc/55/56/62/896555662.db2.gz IRZALBCASIIOBF-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001371341630 896595049 /nfs/dbraw/zinc/59/50/49/896595049.db2.gz CIGVAPRCRBNYNX-NWDGAFQWSA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001371876649 896674367 /nfs/dbraw/zinc/67/43/67/896674367.db2.gz IRYRARLSJDLQTD-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N1CCC1 ZINC001371885852 896674593 /nfs/dbraw/zinc/67/45/93/896674593.db2.gz YBKFWKNMPDHCME-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[NH+](C)C1(C(=O)NCC[N@@H+](C)CCn2cncn2)CCC1 ZINC001372001609 896706448 /nfs/dbraw/zinc/70/64/48/896706448.db2.gz YVEJPLOIJJQWDG-UHFFFAOYSA-N 2 0 294.403 -0.190 20 0 CBADRP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CCn1cncn1 ZINC001372181098 896740607 /nfs/dbraw/zinc/74/06/07/896740607.db2.gz ANDUVTDHHHIQKP-ZDUSSCGKSA-N 2 0 294.403 -0.332 20 0 CBADRP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CCn1cncn1 ZINC001372181097 896741824 /nfs/dbraw/zinc/74/18/24/896741824.db2.gz ANDUVTDHHHIQKP-CYBMUJFWSA-N 2 0 294.403 -0.332 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001372624336 896825512 /nfs/dbraw/zinc/82/55/12/896825512.db2.gz JHCGETCOPGUVIT-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001372633405 896827524 /nfs/dbraw/zinc/82/75/24/896827524.db2.gz PPJNPAXBIMFKNU-MELADBBJSA-N 2 0 299.415 -0.474 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001372673712 896836762 /nfs/dbraw/zinc/83/67/62/896836762.db2.gz RIIXVDIYUNEIHO-CYBMUJFWSA-N 2 0 296.415 -0.392 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001372940701 896906397 /nfs/dbraw/zinc/90/63/97/896906397.db2.gz ZQRVNZGJLGAANH-QWRGUYRKSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+][C@@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001372938950 896909050 /nfs/dbraw/zinc/90/90/50/896909050.db2.gz IYKQPVHGBNAXKG-JHJVBQTASA-N 2 0 296.415 -0.395 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001373159560 896948618 /nfs/dbraw/zinc/94/86/18/896948618.db2.gz OWPWTBVDKFIQDO-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001373187538 896949624 /nfs/dbraw/zinc/94/96/24/896949624.db2.gz AFAPFMLDKUZVPI-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H](C(N)=O)N1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001373395082 896995218 /nfs/dbraw/zinc/99/52/18/896995218.db2.gz GNSGUWUFUCKYPB-RYUDHWBXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H](C(N)=O)N1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001373395079 896996188 /nfs/dbraw/zinc/99/61/88/896996188.db2.gz GNSGUWUFUCKYPB-NEPJUHHUSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[C@@H](C(=O)NCC1C[NH+](C[C@@H](O)COC)C1)[NH+](C)C ZINC001373540268 897042926 /nfs/dbraw/zinc/04/29/26/897042926.db2.gz UVNMHGSLSYLSEQ-OLZOCXBDSA-N 2 0 287.404 -0.618 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001373612807 897068675 /nfs/dbraw/zinc/06/86/75/897068675.db2.gz AAJHKJZVKCYBKU-FRRDWIJNSA-N 2 0 285.388 -0.864 20 0 CBADRP CN(CCNC(=O)CC[NH+](C)C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001373660051 897090598 /nfs/dbraw/zinc/09/05/98/897090598.db2.gz ILDWNPMVFPKXST-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N(C)C ZINC001373784321 897124191 /nfs/dbraw/zinc/12/41/91/897124191.db2.gz ZNJIJZUOBFGTQR-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H]([NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1)C(N)=O ZINC001373842450 897129531 /nfs/dbraw/zinc/12/95/31/897129531.db2.gz LILPNNSILHPXKS-RYUDHWBXSA-N 2 0 296.415 -0.027 20 0 CBADRP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H](C)C(N)=O ZINC001373821248 897129788 /nfs/dbraw/zinc/12/97/88/897129788.db2.gz MSBXOLOENRRBPS-MNOVXSKESA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H]([NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCCC1)C(N)=O ZINC001373842452 897130530 /nfs/dbraw/zinc/13/05/30/897130530.db2.gz LILPNNSILHPXKS-VXGBXAGGSA-N 2 0 296.415 -0.027 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC2(C[NH2+]CC(N)=O)CCCC2)C1 ZINC001373861987 897132886 /nfs/dbraw/zinc/13/28/86/897132886.db2.gz QKOAWKDXLXIXHA-GFCCVEGCSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+][C@@H]1CCNC1=O ZINC001374066777 897164069 /nfs/dbraw/zinc/16/40/69/897164069.db2.gz XEYPYVMYEZYYKB-NWDGAFQWSA-N 2 0 296.415 -0.441 20 0 CBADRP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001374278169 897200979 /nfs/dbraw/zinc/20/09/79/897200979.db2.gz GFFLZLGHJSVCSZ-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374310937 897212415 /nfs/dbraw/zinc/21/24/15/897212415.db2.gz FRHJHJNUCNMNIJ-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001374312100 897213556 /nfs/dbraw/zinc/21/35/56/897213556.db2.gz KLNKRKVKEOWYBY-NEPJUHHUSA-N 2 0 294.399 -0.593 20 0 CBADRP CC(C)[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001374442706 897228844 /nfs/dbraw/zinc/22/88/44/897228844.db2.gz FILWXWCIUMVFFN-VXGBXAGGSA-N 2 0 284.404 -0.456 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C ZINC001374456807 897229311 /nfs/dbraw/zinc/22/93/11/897229311.db2.gz WJBGNZRIUNESFO-GFCCVEGCSA-N 2 0 286.420 -0.197 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001374519498 897248531 /nfs/dbraw/zinc/24/85/31/897248531.db2.gz GLJMCOYQBUPXOW-QWHCGFSZSA-N 2 0 287.404 -0.522 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001374610194 897307037 /nfs/dbraw/zinc/30/70/37/897307037.db2.gz YWRQEJZAMBGNAR-ZDUSSCGKSA-N 2 0 296.415 -0.252 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]C[C@@H]1CCCCO1 ZINC001374684448 897340977 /nfs/dbraw/zinc/34/09/77/897340977.db2.gz MIKNLKKJYZFWFE-KGLIPLIRSA-N 2 0 299.415 -0.282 20 0 CBADRP CC[C@H]([NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001374709377 897354991 /nfs/dbraw/zinc/35/49/91/897354991.db2.gz HTGCSGIHLFYKNZ-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001374739006 897365085 /nfs/dbraw/zinc/36/50/85/897365085.db2.gz UDHIZCWVAHASRD-WOPDTQHZSA-N 2 0 273.377 -0.818 20 0 CBADRP C[NH+](C)CCCC(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001374749924 897369730 /nfs/dbraw/zinc/36/97/30/897369730.db2.gz ARBAQKWQKORDND-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)CCC[NH+](C)C ZINC001374806294 897397459 /nfs/dbraw/zinc/39/74/59/897397459.db2.gz NKEYJJSLWUJPSD-LLVKDONJSA-N 2 0 282.392 -0.249 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374833449 897406299 /nfs/dbraw/zinc/40/62/99/897406299.db2.gz NXQHPMXLMGZOSS-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001374839273 897407240 /nfs/dbraw/zinc/40/72/40/897407240.db2.gz DYXOKRZLVZYEGB-IPYPFGDCSA-N 2 0 299.415 -0.426 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374833450 897408217 /nfs/dbraw/zinc/40/82/17/897408217.db2.gz NXQHPMXLMGZOSS-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374961926 897443974 /nfs/dbraw/zinc/44/39/74/897443974.db2.gz NXQHPMXLMGZOSS-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H]([NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CC1)C(=O)N(C)C ZINC001375255281 897501934 /nfs/dbraw/zinc/50/19/34/897501934.db2.gz LSHOBHNAFVCXPQ-WCQYABFASA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001375503060 897555821 /nfs/dbraw/zinc/55/58/21/897555821.db2.gz WDAPDYAVGCFWAD-FRRDWIJNSA-N 2 0 298.431 -0.101 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC)C1)[NH+](C)C ZINC001375515846 897558986 /nfs/dbraw/zinc/55/89/86/897558986.db2.gz XJXBLMVFJSNEPA-RVMXOQNASA-N 2 0 298.431 -0.055 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001375518023 897561223 /nfs/dbraw/zinc/56/12/23/897561223.db2.gz XZPYVNLXYUZOQZ-XQQFMLRXSA-N 2 0 294.399 -0.545 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001375558694 897567202 /nfs/dbraw/zinc/56/72/02/897567202.db2.gz HGDHAVFDEIGIOA-FDYHWXHSSA-N 2 0 296.415 -0.171 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001375557703 897567506 /nfs/dbraw/zinc/56/75/06/897567506.db2.gz BSLCFOAPIINQFP-JOCQHMNTSA-N 2 0 298.431 -0.053 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](CCO)CCO)C1 ZINC001375637766 897577786 /nfs/dbraw/zinc/57/77/86/897577786.db2.gz XEYFHDGCUSDPMD-KBPBESRZSA-N 2 0 299.415 -0.642 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](CCO)CCO)C1 ZINC001375637769 897578355 /nfs/dbraw/zinc/57/83/55/897578355.db2.gz XEYFHDGCUSDPMD-ZIAGYGMSSA-N 2 0 299.415 -0.642 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001375761844 897603898 /nfs/dbraw/zinc/60/38/98/897603898.db2.gz ITTXATNXZLSSHM-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001375769269 897607073 /nfs/dbraw/zinc/60/70/73/897607073.db2.gz XPRSKYWHJNPCKI-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP COCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001376053591 897641747 /nfs/dbraw/zinc/64/17/47/897641747.db2.gz NLHKSGSFIBIIGN-UKRRQHHQSA-N 2 0 299.415 -0.330 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCN(CC(=O)NC2CC2)C1 ZINC001376157336 897677160 /nfs/dbraw/zinc/67/71/60/897677160.db2.gz XZVIHPXXVKFQAS-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001376331503 897712435 /nfs/dbraw/zinc/71/24/35/897712435.db2.gz OJWVAXVFYJOHAJ-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001376334916 897712834 /nfs/dbraw/zinc/71/28/34/897712834.db2.gz BFIHCTXDWLXBGL-OLZOCXBDSA-N 2 0 296.415 -0.393 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001376340028 897713403 /nfs/dbraw/zinc/71/34/03/897713403.db2.gz ZANFFHVWCGZEGR-LBPRGKRZSA-N 2 0 294.399 -0.591 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001376385313 897722995 /nfs/dbraw/zinc/72/29/95/897722995.db2.gz AGFXIUGEYHLYFY-NQBHXWOUSA-N 2 0 284.404 -0.445 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1)[NH+](C)C ZINC001376373692 897724073 /nfs/dbraw/zinc/72/40/73/897724073.db2.gz IUWPDNNZDAOQGM-FDYHWXHSSA-N 2 0 296.415 -0.158 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1)[NH+](C)C ZINC001376373695 897724498 /nfs/dbraw/zinc/72/44/98/897724498.db2.gz IUWPDNNZDAOQGM-ZDEQEGDKSA-N 2 0 296.415 -0.158 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001376398946 897725985 /nfs/dbraw/zinc/72/59/85/897725985.db2.gz HIEIEDHTZZFBBW-HAQNSBGRSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001376464443 897747468 /nfs/dbraw/zinc/74/74/68/897747468.db2.gz MXHOTVISAVLMQR-FVCCEPFGSA-N 2 0 296.415 -0.348 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@]1(CO)CCC[NH+](CCO)C1 ZINC001376503139 897760111 /nfs/dbraw/zinc/76/01/11/897760111.db2.gz TWLXLABYMXYEKF-CQSZACIVSA-N 2 0 287.404 -0.736 20 0 CBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001376631320 897786895 /nfs/dbraw/zinc/78/68/95/897786895.db2.gz WCOLXCGPWWEFKR-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001376718627 897821985 /nfs/dbraw/zinc/82/19/85/897821985.db2.gz BCOJXCAETKZZRL-CMPLNLGQSA-N 2 0 282.388 -0.832 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001376735101 897828602 /nfs/dbraw/zinc/82/86/02/897828602.db2.gz XEZAPWOJOGCASO-JHJVBQTASA-N 2 0 298.431 -0.055 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001376743976 897831504 /nfs/dbraw/zinc/83/15/04/897831504.db2.gz HOLMCIJXXDKTPA-JTQLQIEISA-N 2 0 270.377 -0.689 20 0 CBADRP COC[C@H](O)C[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001376749894 897832676 /nfs/dbraw/zinc/83/26/76/897832676.db2.gz GOXPTTOOIPZDKF-CHWSQXEVSA-N 2 0 299.415 -0.284 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001376743978 897832815 /nfs/dbraw/zinc/83/28/15/897832815.db2.gz HOLMCIJXXDKTPA-SNVBAGLBSA-N 2 0 270.377 -0.689 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001376749898 897833102 /nfs/dbraw/zinc/83/31/02/897833102.db2.gz GOXPTTOOIPZDKF-OLZOCXBDSA-N 2 0 299.415 -0.284 20 0 CBADRP NC(=O)C[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCC1 ZINC001376755054 897835683 /nfs/dbraw/zinc/83/56/83/897835683.db2.gz FDNMUZOEARRSRB-UHFFFAOYSA-N 2 0 294.399 -0.271 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001376798718 897848379 /nfs/dbraw/zinc/84/83/79/897848379.db2.gz HSLOLGSHORKODY-NSHDSACASA-N 2 0 286.420 -0.195 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001376853441 897870958 /nfs/dbraw/zinc/87/09/58/897870958.db2.gz WNZUOUIBHMRAOX-CHWSQXEVSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[C@@H]([NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001376853906 897872335 /nfs/dbraw/zinc/87/23/35/897872335.db2.gz JKVPNEMTRCBKRR-WDEREUQCSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001376899275 897884376 /nfs/dbraw/zinc/88/43/76/897884376.db2.gz ILJNFAVNOOHQRS-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP CNC(=O)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001376913264 897890685 /nfs/dbraw/zinc/89/06/85/897890685.db2.gz ZUXAPYJEVXOHNQ-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP CNC(=O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001376913266 897891533 /nfs/dbraw/zinc/89/15/33/897891533.db2.gz ZUXAPYJEVXOHNQ-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001376941545 897897946 /nfs/dbraw/zinc/89/79/46/897897946.db2.gz WGGBLXXXPYGSAL-FRRDWIJNSA-N 2 0 298.431 -0.019 20 0 CBADRP CN(CCC[N@H+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CCC[NH+]1C ZINC001376967369 897904865 /nfs/dbraw/zinc/90/48/65/897904865.db2.gz SJRFEPAQSJFIFL-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CN(CCC[N@H+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001377017319 897913999 /nfs/dbraw/zinc/91/39/99/897913999.db2.gz IWEKGEYAENNJQV-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP CN(C)C(=O)C[N@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001377019074 897914628 /nfs/dbraw/zinc/91/46/28/897914628.db2.gz MPTSVTZSHQYOND-UHFFFAOYSA-N 2 0 298.431 -0.049 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001377235213 897978821 /nfs/dbraw/zinc/97/88/21/897978821.db2.gz AHMIECHBSGMKOT-YNEHKIRRSA-N 2 0 296.415 -0.204 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)[C@@H](C)C1 ZINC001377266631 897993457 /nfs/dbraw/zinc/99/34/57/897993457.db2.gz OFKINYBFBZGSMC-STQMWFEESA-N 2 0 298.431 -0.149 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CCC[NH+](C)C ZINC001377277903 897995832 /nfs/dbraw/zinc/99/58/32/897995832.db2.gz JFROTESLBHCSLI-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC001377340801 898013451 /nfs/dbraw/zinc/01/34/51/898013451.db2.gz HQSPRUOLMJVECO-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001377571770 898088812 /nfs/dbraw/zinc/08/88/12/898088812.db2.gz FISIOOKJZHIMSA-NEPJUHHUSA-N 2 0 286.420 -0.245 20 0 CBADRP CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001377575741 898090401 /nfs/dbraw/zinc/09/04/01/898090401.db2.gz JWTWEJZFFGBOOV-CHWSQXEVSA-N 2 0 296.415 -0.360 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001377571772 898091396 /nfs/dbraw/zinc/09/13/96/898091396.db2.gz FISIOOKJZHIMSA-RYUDHWBXSA-N 2 0 286.420 -0.245 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)CC[NH2+][C@@H]1CCCNC1=O ZINC001377589833 898096172 /nfs/dbraw/zinc/09/61/72/898096172.db2.gz CIWXYKSLZNGESV-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001377587764 898098089 /nfs/dbraw/zinc/09/80/89/898098089.db2.gz FISIOOKJZHIMSA-VXGBXAGGSA-N 2 0 286.420 -0.245 20 0 CBADRP CC1CC[NH+](CC(=O)N(C)CC[NH2+][C@H]2CCNC2=O)CC1 ZINC001377590117 898098583 /nfs/dbraw/zinc/09/85/83/898098583.db2.gz DHFKXSKZZOXZNM-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C ZINC001377599723 898102798 /nfs/dbraw/zinc/10/27/98/898102798.db2.gz HLJOTAJITBKPEF-NSHDSACASA-N 2 0 272.393 -0.491 20 0 CBADRP CN(CC(N)=O)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001377652019 898110850 /nfs/dbraw/zinc/11/08/50/898110850.db2.gz FUZNLPHLNNXWCG-LBPRGKRZSA-N 2 0 284.404 -0.264 20 0 CBADRP NC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001377720894 898121579 /nfs/dbraw/zinc/12/15/79/898121579.db2.gz NUYYLOCQHBTICL-GFCCVEGCSA-N 2 0 282.388 -0.604 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001377857891 898149166 /nfs/dbraw/zinc/14/91/66/898149166.db2.gz IVHGKFWSTMTVLA-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001377857888 898150211 /nfs/dbraw/zinc/15/02/11/898150211.db2.gz IVHGKFWSTMTVLA-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+]1CCC(OCC(=O)N[C@H]2CC[N@H+](CCO)C2)CC1 ZINC001378074784 898223524 /nfs/dbraw/zinc/22/35/24/898223524.db2.gz NKBJCGLTBZFSML-LBPRGKRZSA-N 2 0 285.388 -0.720 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)[C@@H]1CCNC1=O ZINC001378218375 898281344 /nfs/dbraw/zinc/28/13/44/898281344.db2.gz FYKFSLWETQVLQZ-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)Cc1c[nH]cn1 ZINC001378293878 898305583 /nfs/dbraw/zinc/30/55/83/898305583.db2.gz MARAHHHVJYNSRS-JTQLQIEISA-N 2 0 281.360 -0.427 20 0 CBADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCn1cncn1 ZINC001378337826 898319074 /nfs/dbraw/zinc/31/90/74/898319074.db2.gz HTQYENCCDSTMKQ-ZDUSSCGKSA-N 2 0 294.403 -0.142 20 0 CBADRP C[C@@H]1[C@H](C(=O)N[C@](C)(C[NH2+]CC(N)=O)C2CC2)CC[N@@H+]1C ZINC001378394269 898330373 /nfs/dbraw/zinc/33/03/73/898330373.db2.gz CJGCWGZNRWLEEU-IXPVHAAZSA-N 2 0 296.415 -0.314 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(N)=O)[NH+](C)C ZINC001378495069 898335754 /nfs/dbraw/zinc/33/57/54/898335754.db2.gz HMJLNLZCIJGLEC-IJLUTSLNSA-N 2 0 284.404 -0.219 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(N)=O)[NH+](C)C ZINC001378495072 898337571 /nfs/dbraw/zinc/33/75/71/898337571.db2.gz HMJLNLZCIJGLEC-QJPTWQEYSA-N 2 0 284.404 -0.219 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001378512309 898342074 /nfs/dbraw/zinc/34/20/74/898342074.db2.gz MMKBOWOFMIGPPW-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1cn(C)nn1 ZINC001378595899 898364038 /nfs/dbraw/zinc/36/40/38/898364038.db2.gz ZVKRVZVRDYDGEG-DGCLKSJQSA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]CC(N)=O ZINC001378609843 898365593 /nfs/dbraw/zinc/36/55/93/898365593.db2.gz CRGZPMCRLGMWNJ-MNOVXSKESA-N 2 0 270.377 -0.845 20 0 CBADRP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]CC(N)=O ZINC001378609848 898367634 /nfs/dbraw/zinc/36/76/34/898367634.db2.gz CRGZPMCRLGMWNJ-WDEREUQCSA-N 2 0 270.377 -0.845 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+][C@@H]1CCNC1=O ZINC001378634266 898373461 /nfs/dbraw/zinc/37/34/61/898373461.db2.gz AJCSYXYMMKJFAS-VXGBXAGGSA-N 2 0 282.388 -0.687 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001378818129 898416944 /nfs/dbraw/zinc/41/69/44/898416944.db2.gz ZQIFSGJMBPVZMG-RYUDHWBXSA-N 2 0 298.431 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001378844745 898422958 /nfs/dbraw/zinc/42/29/58/898422958.db2.gz QPCBJPUSBJVZGH-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001378896095 898429822 /nfs/dbraw/zinc/42/98/22/898429822.db2.gz KFRLVRHBVGHSIS-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001378896094 898430119 /nfs/dbraw/zinc/43/01/19/898430119.db2.gz KFRLVRHBVGHSIS-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]CC(N)=O ZINC001378912573 898430143 /nfs/dbraw/zinc/43/01/43/898430143.db2.gz OODAFORPPGATJZ-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001378906740 898431591 /nfs/dbraw/zinc/43/15/91/898431591.db2.gz WHZCPLYTBGSAMQ-LLVKDONJSA-N 2 0 284.404 -0.265 20 0 CBADRP CC(C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H](C)C(N)=O ZINC001379002614 898440136 /nfs/dbraw/zinc/44/01/36/898440136.db2.gz VZJRZIDOGDDLHX-NWDGAFQWSA-N 2 0 296.415 -0.314 20 0 CBADRP CC[C@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C(C)C)[NH+](C)C ZINC001378995829 898442186 /nfs/dbraw/zinc/44/21/86/898442186.db2.gz GEOMSFXNOFEKKK-WDEREUQCSA-N 2 0 272.393 -0.458 20 0 CBADRP CC[C@@H](C(=O)N(C)[C@H](C[NH2+]CC(=O)NC)C1CC1)[NH+](C)C ZINC001379037836 898451665 /nfs/dbraw/zinc/45/16/65/898451665.db2.gz WJRIQJUDVBRCPG-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CCN(C)CC(=O)N(C)C ZINC001379125192 898469890 /nfs/dbraw/zinc/46/98/90/898469890.db2.gz FMOHVIAAHAGRLB-UHFFFAOYSA-N 2 0 286.420 -0.193 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CC(N)=O)C1 ZINC001379148696 898472917 /nfs/dbraw/zinc/47/29/17/898472917.db2.gz JOCLONGEUTUVTE-STQMWFEESA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@H](CN(C)C(=O)c1cnn(CC[NH+](C)C)c1)[NH2+]CCO ZINC001379274568 898532235 /nfs/dbraw/zinc/53/22/35/898532235.db2.gz HOBICJYRLLQZBQ-GFCCVEGCSA-N 2 0 297.403 -0.513 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC001379285152 898535787 /nfs/dbraw/zinc/53/57/87/898535787.db2.gz NSXOHESBRNSZGP-GHMZBOCLSA-N 2 0 272.393 -0.362 20 0 CBADRP C[C@@H](CC[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)CC[NH+](C)C ZINC001379316192 898546223 /nfs/dbraw/zinc/54/62/23/898546223.db2.gz VDJVBQLJMFYVTD-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001379326038 898550527 /nfs/dbraw/zinc/55/05/27/898550527.db2.gz IDTPIKZJCMCKIR-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(=O)N(C)C)C(=O)CC[NH+](C)C ZINC001379329748 898553132 /nfs/dbraw/zinc/55/31/32/898553132.db2.gz ZAXSSULNKSLHRM-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001379393258 898595736 /nfs/dbraw/zinc/59/57/36/898595736.db2.gz BSZBGTDHONNRAH-VXGBXAGGSA-N 2 0 296.415 -0.027 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC1CC1)[NH+](C)C ZINC001379415822 898606708 /nfs/dbraw/zinc/60/67/08/898606708.db2.gz FHFWSVWORQFCTJ-BXUZGUMPSA-N 2 0 298.431 -0.055 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001379514082 898651813 /nfs/dbraw/zinc/65/18/13/898651813.db2.gz DEVZRRQAFUHEAV-VHSXEESVSA-N 2 0 270.377 -0.561 20 0 CBADRP O=C(CC[NH+]1CCCCC1)NC[C@H](CO)[NH2+]CCF ZINC001379525370 898654468 /nfs/dbraw/zinc/65/44/68/898654468.db2.gz KXMVVPGFHREFPP-GFCCVEGCSA-N 2 0 275.368 -0.101 20 0 CBADRP CC(C)[NH2+][C@H](CO)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001379531952 898657726 /nfs/dbraw/zinc/65/77/26/898657726.db2.gz XPDHITATAGOPHE-STQMWFEESA-N 2 0 287.404 -0.570 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)[C@H]1C ZINC001379565503 898668006 /nfs/dbraw/zinc/66/80/06/898668006.db2.gz GEESQMIWQZQEEB-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001379561706 898669573 /nfs/dbraw/zinc/66/95/73/898669573.db2.gz ZXQZYIRPTRUQQY-WCQYABFASA-N 2 0 296.415 -0.347 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)CC(=O)N(C)C ZINC001379770333 898723943 /nfs/dbraw/zinc/72/39/43/898723943.db2.gz OPGVSCNYIMQADW-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP COC[C@H](O)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001379782255 898726820 /nfs/dbraw/zinc/72/68/20/898726820.db2.gz LCHNXDIPPKCWDQ-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2cnnn2C)CC1 ZINC001380158346 898825647 /nfs/dbraw/zinc/82/56/47/898825647.db2.gz BSJLACFGNDTKBE-UHFFFAOYSA-N 2 0 294.403 -0.105 20 0 CBADRP CCCNC(=O)C[NH2+]C1(CNC(=O)Cn2ccnc2)CC1 ZINC001380167072 898828411 /nfs/dbraw/zinc/82/84/11/898828411.db2.gz FFZYRDWWNPXJMD-UHFFFAOYSA-N 2 0 293.371 -0.352 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001380276166 898848713 /nfs/dbraw/zinc/84/87/13/898848713.db2.gz YZMQERPUSJICMC-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001380375440 898870167 /nfs/dbraw/zinc/87/01/67/898870167.db2.gz JICLSXRFLGFEKR-ZFWWWQNUSA-N 2 0 299.415 -0.330 20 0 CBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001380502903 898878534 /nfs/dbraw/zinc/87/85/34/898878534.db2.gz FXQYSQPLQIACBZ-TXEJJXNPSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001380502896 898878766 /nfs/dbraw/zinc/87/87/66/898878766.db2.gz FXQYSQPLQIACBZ-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H](O)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCOCC1 ZINC001380505829 898879705 /nfs/dbraw/zinc/87/97/05/898879705.db2.gz VUKUPBKAYCFROX-GFCCVEGCSA-N 2 0 287.404 -0.426 20 0 CBADRP COCC[N@@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001380557639 898898595 /nfs/dbraw/zinc/89/85/95/898898595.db2.gz VLHVOVKBFUSCHV-HNNXBMFYSA-N 2 0 299.415 -0.472 20 0 CBADRP COC[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001380552924 898900835 /nfs/dbraw/zinc/90/08/35/898900835.db2.gz MBUOCANPHHEXSY-JSGCOSHPSA-N 2 0 287.404 -0.474 20 0 CBADRP CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001380897394 898965984 /nfs/dbraw/zinc/96/59/84/898965984.db2.gz NXPFNCGDLLYLNH-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)CC1)[NH+](C)C ZINC001380932861 898972054 /nfs/dbraw/zinc/97/20/54/898972054.db2.gz LHLUSJUBSSZAAS-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](CC(N)=O)CC1)C1CCC1 ZINC001380929216 898974521 /nfs/dbraw/zinc/97/45/21/898974521.db2.gz IWCZOKGNDZYCJJ-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CC(N)=O)CC1)[NH+](C)C ZINC001380932866 898974826 /nfs/dbraw/zinc/97/48/26/898974826.db2.gz LHLUSJUBSSZAAS-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CN(CCC[N@H+](C)CC(N)=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001380959262 898978494 /nfs/dbraw/zinc/97/84/94/898978494.db2.gz ZCHUJNFLLLRMQW-CYBMUJFWSA-N 2 0 296.415 -0.406 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]CCF)C1 ZINC001381042327 898989025 /nfs/dbraw/zinc/98/90/25/898989025.db2.gz GZGIIITWYDUWPW-OCCSQVGLSA-N 2 0 287.379 -0.007 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001381564681 899084041 /nfs/dbraw/zinc/08/40/41/899084041.db2.gz LRLJCCCNDDMQAD-QWRGUYRKSA-N 2 0 272.393 -0.362 20 0 CBADRP C[C@@H]([NH2+]CCO)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001381937359 899130653 /nfs/dbraw/zinc/13/06/53/899130653.db2.gz SUJXUCCIVKJISW-VXGBXAGGSA-N 2 0 273.377 -0.864 20 0 CBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(N)=O)C1)[NH+](C)C ZINC001381975893 899139409 /nfs/dbraw/zinc/13/94/09/899139409.db2.gz ZYQMWZFISGIXBA-FDYHWXHSSA-N 2 0 298.431 -0.069 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001382028296 899142995 /nfs/dbraw/zinc/14/29/95/899142995.db2.gz CEAREZGIBLXCDA-AAEUAGOBSA-N 2 0 296.415 -0.360 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001382110878 899156254 /nfs/dbraw/zinc/15/62/54/899156254.db2.gz GQDXABZKOOGVNY-GHMZBOCLSA-N 2 0 272.393 -0.491 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001382110898 899157595 /nfs/dbraw/zinc/15/75/95/899157595.db2.gz GQDXABZKOOGVNY-WDEREUQCSA-N 2 0 272.393 -0.491 20 0 CBADRP C[C@@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+][C@H]1CCNC1=O ZINC001382128715 899161477 /nfs/dbraw/zinc/16/14/77/899161477.db2.gz UIKCBJOCFRQMSA-RYUDHWBXSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001382216535 899198486 /nfs/dbraw/zinc/19/84/86/899198486.db2.gz HYJNOADQHDVVKH-STQMWFEESA-N 2 0 287.404 -0.834 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NC[C@H](CO)[NH2+]CCF)CC[N@@H+]1C ZINC001382239375 899205274 /nfs/dbraw/zinc/20/52/74/899205274.db2.gz VSGWLRDMCRGWGJ-SDDRHHMPSA-N 2 0 275.368 -0.247 20 0 CBADRP C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCC[NH+](C)C ZINC001382284136 899235159 /nfs/dbraw/zinc/23/51/59/899235159.db2.gz ITNRLKKMJSFJBG-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2ncnn2C)C1 ZINC001382587686 899333561 /nfs/dbraw/zinc/33/35/61/899333561.db2.gz NMCQRGZMJPXVTB-UHFFFAOYSA-N 2 0 294.403 -0.154 20 0 CBADRP CCC[N@H+](C)CC(=O)NCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001387034279 899747914 /nfs/dbraw/zinc/74/79/14/899747914.db2.gz ZCVBAVKZSOGOJW-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP CC[C@@H](C(=O)NCCN(C)C(=O)CC[NH+](C)C)[NH+](C)C ZINC001387114614 899761539 /nfs/dbraw/zinc/76/15/39/899761539.db2.gz QCBSGIRHLAKWSV-LBPRGKRZSA-N 2 0 286.420 -0.147 20 0 CBADRP CCC[N@H+](C)CC(=O)NC1CN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001387784090 899829634 /nfs/dbraw/zinc/82/96/34/899829634.db2.gz GYWCDJQKYGOZKR-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001388686900 899901976 /nfs/dbraw/zinc/90/19/76/899901976.db2.gz OPNYRFDAUYZAIR-BJHJDKERSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001388757839 899908572 /nfs/dbraw/zinc/90/85/72/899908572.db2.gz VDGARZMVMKGYHH-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001389209546 899972296 /nfs/dbraw/zinc/97/22/96/899972296.db2.gz UPOIGSFAQMUNJS-UHFFFAOYSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001389520562 900034046 /nfs/dbraw/zinc/03/40/46/900034046.db2.gz ZDJULARUIXYVQD-STQMWFEESA-N 2 0 285.388 -0.863 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)CC[N@@H+]1C ZINC001389598868 900047263 /nfs/dbraw/zinc/04/72/63/900047263.db2.gz AHMDPEXTJFZUDF-YUSALJHKSA-N 2 0 282.388 -0.704 20 0 CBADRP CCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001389869824 900086922 /nfs/dbraw/zinc/08/69/22/900086922.db2.gz DATPXTDRJWIJBV-HAQNSBGRSA-N 2 0 284.404 -0.299 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001389898521 900090380 /nfs/dbraw/zinc/09/03/80/900090380.db2.gz JUXFEVMRAKEYKN-JHJVBQTASA-N 2 0 297.399 -0.674 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001389954766 900097863 /nfs/dbraw/zinc/09/78/63/900097863.db2.gz FNCOZKHPFBLCKE-SCRDCRAPSA-N 2 0 299.415 -0.285 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001389997354 900103127 /nfs/dbraw/zinc/10/31/27/900103127.db2.gz DELSMCRLQNIBIO-AXFHLTTASA-N 2 0 270.377 -0.691 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001390105744 900115776 /nfs/dbraw/zinc/11/57/76/900115776.db2.gz LKJDBHJRUBTNAR-GFCCVEGCSA-N 2 0 282.388 -0.604 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001390240320 900126668 /nfs/dbraw/zinc/12/66/68/900126668.db2.gz BXHRAXKHEBRFCY-HNNXBMFYSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+](C)CCC(=O)N[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001390240327 900126967 /nfs/dbraw/zinc/12/69/67/900126967.db2.gz BXHRAXKHEBRFCY-OAHLLOKOSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cnnn1C ZINC001390381751 900146528 /nfs/dbraw/zinc/14/65/28/900146528.db2.gz WVZOOGLDFBTCSA-NQBHXWOUSA-N 2 0 294.403 -0.250 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC(N)=O ZINC001390391142 900150619 /nfs/dbraw/zinc/15/06/19/900150619.db2.gz ABLLKDAUYOPJHP-DGCLKSJQSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[NH2+]CCO ZINC001390405870 900153491 /nfs/dbraw/zinc/15/34/91/900153491.db2.gz FCDHVWILVPYEBD-GFCCVEGCSA-N 2 0 287.404 -0.569 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001390433862 900158480 /nfs/dbraw/zinc/15/84/80/900158480.db2.gz OAHMYPLCVREMCF-NEPJUHHUSA-N 2 0 284.404 -0.314 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001390487108 900173384 /nfs/dbraw/zinc/17/33/84/900173384.db2.gz XOPHVYLABMAMOC-VXGBXAGGSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001390515383 900179452 /nfs/dbraw/zinc/17/94/52/900179452.db2.gz CABKTZGJLWDHKE-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCn1cccn1 ZINC001390524271 900183663 /nfs/dbraw/zinc/18/36/63/900183663.db2.gz XBKVKPSVCYAUHQ-OLZOCXBDSA-N 2 0 279.388 -0.071 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCn1cccn1 ZINC001390524276 900183812 /nfs/dbraw/zinc/18/38/12/900183812.db2.gz XBKVKPSVCYAUHQ-STQMWFEESA-N 2 0 279.388 -0.071 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)CC)C1)[NH+](C)C ZINC001390550159 900186194 /nfs/dbraw/zinc/18/61/94/900186194.db2.gz AOYLRSZFMBGTQS-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001390565627 900189895 /nfs/dbraw/zinc/18/98/95/900189895.db2.gz MUFFHMMRMVBACY-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001390587095 900194176 /nfs/dbraw/zinc/19/41/76/900194176.db2.gz AYHFHZUDAMELRU-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001390590545 900194263 /nfs/dbraw/zinc/19/42/63/900194263.db2.gz DQICQUREIVXBLN-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001390614667 900196006 /nfs/dbraw/zinc/19/60/06/900196006.db2.gz XULLFKVWQHHQKN-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nncn1C ZINC001390649649 900201565 /nfs/dbraw/zinc/20/15/65/900201565.db2.gz WHBZTOQWECVKJB-NEPJUHHUSA-N 2 0 294.403 -0.106 20 0 CBADRP CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(N)=O)[NH+](C)C ZINC001390710883 900213037 /nfs/dbraw/zinc/21/30/37/900213037.db2.gz HSCSXBRMQOOLCH-PWSUYJOCSA-N 2 0 272.393 -0.458 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001390711322 900216160 /nfs/dbraw/zinc/21/61/60/900216160.db2.gz IUSLEGCVCXFRJF-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CCn1cncn1 ZINC001390848640 900268128 /nfs/dbraw/zinc/26/81/28/900268128.db2.gz WXSJLRWKZGNUPV-UHFFFAOYSA-N 2 0 292.387 -0.578 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001391107434 900315449 /nfs/dbraw/zinc/31/54/49/900315449.db2.gz AVGMXPOTEVPCCI-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001391206517 900333820 /nfs/dbraw/zinc/33/38/20/900333820.db2.gz INKDCPUXMHRSNQ-AAEUAGOBSA-N 2 0 296.415 -0.489 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001391210100 900337825 /nfs/dbraw/zinc/33/78/25/900337825.db2.gz OUACPDWZFOFEEF-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP CCCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001391222924 900342804 /nfs/dbraw/zinc/34/28/04/900342804.db2.gz VGEQDDLSFYOORY-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[C@@H]([NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001391226458 900343767 /nfs/dbraw/zinc/34/37/67/900343767.db2.gz IOTRFVHKRQKVKA-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CC[C@H]([NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001391227901 900346880 /nfs/dbraw/zinc/34/68/80/900346880.db2.gz MZUSORPXNUJOPO-NSHDSACASA-N 2 0 282.388 -0.606 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001391633098 900422669 /nfs/dbraw/zinc/42/26/69/900422669.db2.gz TWHAZZLERISJSE-BFHYXJOUSA-N 2 0 299.415 -0.379 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@@H](CC)[NH2+][C@H]1CCNC1=O ZINC001391745561 900444704 /nfs/dbraw/zinc/44/47/04/900444704.db2.gz VWYKTRNVLUTBSA-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[N@H+](C)CCC(=O)NC1(C[NH2+]CC(N)=O)CCCC1 ZINC001391773281 900447001 /nfs/dbraw/zinc/44/70/01/900447001.db2.gz WZMXFJRXLORPPI-UHFFFAOYSA-N 2 0 284.404 -0.168 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CC(N)=O)CCCC2)CC[N@@H+]1C ZINC001391764964 900448039 /nfs/dbraw/zinc/44/80/39/900448039.db2.gz MLYFAKZQYOPSEN-VXGBXAGGSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1nnnn1C ZINC001391934809 900467425 /nfs/dbraw/zinc/46/74/25/900467425.db2.gz ZLKVILANSJHNNG-SNVBAGLBSA-N 2 0 283.380 -0.996 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001391948909 900469131 /nfs/dbraw/zinc/46/91/31/900469131.db2.gz JETFSIDSMDOPCE-WDEREUQCSA-N 2 0 297.407 -0.608 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001391962098 900475060 /nfs/dbraw/zinc/47/50/60/900475060.db2.gz KQLOCOFNYKUWHD-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001392120478 900517269 /nfs/dbraw/zinc/51/72/69/900517269.db2.gz NVJJKIZECCCCIC-GHMZBOCLSA-N 2 0 272.393 -0.362 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001392134870 900521765 /nfs/dbraw/zinc/52/17/65/900521765.db2.gz PWIXVLVBZWBRJK-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC(C)[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(N)=O ZINC001392233795 900535617 /nfs/dbraw/zinc/53/56/17/900535617.db2.gz OHGMRYPDWCTMHK-LLVKDONJSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001392225880 900536619 /nfs/dbraw/zinc/53/66/19/900536619.db2.gz HHKVMIPZUMCPKU-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)C1 ZINC001456298673 914457845 /nfs/dbraw/zinc/45/78/45/914457845.db2.gz OXNQEKWVKTWJDE-GHMZBOCLSA-N 2 0 253.346 -0.473 20 0 CBADRP C[C@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001392439668 900616712 /nfs/dbraw/zinc/61/67/12/900616712.db2.gz KMOKLCFPXIYAKU-NEPJUHHUSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CC[NH2+][C@H](C)C(N)=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001392441691 900620059 /nfs/dbraw/zinc/62/00/59/900620059.db2.gz IBGVMNSYLDGYRE-GHMZBOCLSA-N 2 0 284.404 -0.171 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001392466041 900626355 /nfs/dbraw/zinc/62/63/55/900626355.db2.gz LOTOSFVYLWQXHR-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001392488396 900635082 /nfs/dbraw/zinc/63/50/82/900635082.db2.gz VGYURMWOOUVQQW-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001392502584 900637847 /nfs/dbraw/zinc/63/78/47/900637847.db2.gz IMZRXLWEFGSBRG-GHMZBOCLSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001392506214 900640311 /nfs/dbraw/zinc/64/03/11/900640311.db2.gz RZMLGRRXCOJKNG-MXWKQRLJSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392530270 900647853 /nfs/dbraw/zinc/64/78/53/900647853.db2.gz ONBFDWOBWLBZIF-YPMHNXCESA-N 2 0 296.415 -0.441 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001392536223 900650762 /nfs/dbraw/zinc/65/07/62/900650762.db2.gz HCCMPPGTIFJFGT-TZMCWYRMSA-N 2 0 298.431 -0.053 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001392573106 900664394 /nfs/dbraw/zinc/66/43/94/900664394.db2.gz DOODHAQYSLWDPH-AVGNSLFASA-N 2 0 287.404 -0.428 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001392568776 900664824 /nfs/dbraw/zinc/66/48/24/900664824.db2.gz DJGOLXREFOAODR-RYUDHWBXSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001392594424 900670005 /nfs/dbraw/zinc/67/00/05/900670005.db2.gz USWTYBIEFAGHOY-JTQLQIEISA-N 2 0 272.393 -0.456 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC ZINC001392603199 900672981 /nfs/dbraw/zinc/67/29/81/900672981.db2.gz VSXSMHBSKZIOTD-WDEREUQCSA-N 2 0 272.393 -0.443 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001392610187 900678630 /nfs/dbraw/zinc/67/86/30/900678630.db2.gz JJGMZPZAEUJPOY-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001392796467 900728281 /nfs/dbraw/zinc/72/82/81/900728281.db2.gz DWYVFWARHSXXGO-CMPLNLGQSA-N 2 0 282.388 -0.702 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001392797607 900728457 /nfs/dbraw/zinc/72/84/57/900728457.db2.gz FTOTZYNNJCTEKN-OLZOCXBDSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@H](C(N)=O)N1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001392881669 900749619 /nfs/dbraw/zinc/74/96/19/900749619.db2.gz WNNXXDFZLCTMCF-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001393058411 900785637 /nfs/dbraw/zinc/78/56/37/900785637.db2.gz YMGWTAOSUHNYBL-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001393105102 900794339 /nfs/dbraw/zinc/79/43/39/900794339.db2.gz FUWWCVZEOVHIKE-TZMCWYRMSA-N 2 0 287.404 -0.474 20 0 CBADRP COCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001393250431 900813659 /nfs/dbraw/zinc/81/36/59/900813659.db2.gz PLXDXQZPHAORPI-NFAWXSAZSA-N 2 0 299.415 -0.474 20 0 CBADRP COC[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001393469322 900864381 /nfs/dbraw/zinc/86/43/81/900864381.db2.gz ZGCCIHAECLNXEE-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001393535157 900870796 /nfs/dbraw/zinc/87/07/96/900870796.db2.gz WAGTYEXWVRMNEH-OLZOCXBDSA-N 2 0 299.415 -0.284 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001393644799 900886798 /nfs/dbraw/zinc/88/67/98/900886798.db2.gz QBTDTMMXRJXRMF-OLZOCXBDSA-N 2 0 298.431 -0.018 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(N)=O ZINC001393803156 900909789 /nfs/dbraw/zinc/90/97/89/900909789.db2.gz YOBLXPVNBJYSMV-HBNTYKKESA-N 2 0 270.377 -0.704 20 0 CBADRP CN(CC(N)=O)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001393881356 900919036 /nfs/dbraw/zinc/91/90/36/900919036.db2.gz GEDXBKXQZRBMFL-QWHCGFSZSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)CC(N)=O ZINC001393880948 900919299 /nfs/dbraw/zinc/91/92/99/900919299.db2.gz FJKVHRQDIYJHIO-GFCCVEGCSA-N 2 0 284.404 -0.264 20 0 CBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CCn1cncn1 ZINC001393965954 900943396 /nfs/dbraw/zinc/94/33/96/900943396.db2.gz GBCYIDGBYBZJJY-NWDGAFQWSA-N 2 0 282.392 -0.287 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001393981918 900947889 /nfs/dbraw/zinc/94/78/89/900947889.db2.gz YFZOGRZIYCJTAK-GHMZBOCLSA-N 2 0 272.393 -0.443 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001394004981 900949092 /nfs/dbraw/zinc/94/90/92/900949092.db2.gz URYHNPJPNTXNTF-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001394453540 901027706 /nfs/dbraw/zinc/02/77/06/901027706.db2.gz QIDBTXQDOOSQIQ-NEPJUHHUSA-N 2 0 282.388 -0.750 20 0 CBADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001394453547 901029056 /nfs/dbraw/zinc/02/90/56/901029056.db2.gz QIDBTXQDOOSQIQ-NWDGAFQWSA-N 2 0 282.388 -0.750 20 0 CBADRP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001394527629 901042190 /nfs/dbraw/zinc/04/21/90/901042190.db2.gz KIPCVMLJYOAXOA-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001394536829 901046248 /nfs/dbraw/zinc/04/62/48/901046248.db2.gz FMPJNOFHUAXSMU-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](O)C[NH2+][C@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001394611482 901086307 /nfs/dbraw/zinc/08/63/07/901086307.db2.gz GWLZZSYXVBJHIU-STQMWFEESA-N 2 0 299.415 -0.690 20 0 CBADRP C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001394627632 901096237 /nfs/dbraw/zinc/09/62/37/901096237.db2.gz CYYCWUXZBRSDOV-DGCLKSJQSA-N 2 0 287.404 -0.834 20 0 CBADRP C[C@@H]1[C@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)CC[NH+](C)C ZINC001394664341 901112242 /nfs/dbraw/zinc/11/22/42/901112242.db2.gz BLAVGKIMKJJKCD-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CN1C(=O)CCC[NH+](C)C ZINC001394670524 901117098 /nfs/dbraw/zinc/11/70/98/901117098.db2.gz OBRQOQWTFFXYJA-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001394762631 901143911 /nfs/dbraw/zinc/14/39/11/901143911.db2.gz PYVGYHKETUVENG-DGCLKSJQSA-N 2 0 287.404 -0.882 20 0 CBADRP CC[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CCO)[NH+](C)C ZINC001394780016 901153815 /nfs/dbraw/zinc/15/38/15/901153815.db2.gz CPSBWTPTLGNJIW-VXGBXAGGSA-N 2 0 275.393 -0.930 20 0 CBADRP C[C@@H]([NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C)C(N)=O ZINC001394831999 901163579 /nfs/dbraw/zinc/16/35/79/901163579.db2.gz LPJSYRJJVYZVIB-MNOVXSKESA-N 2 0 286.420 -0.068 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001397131540 901366988 /nfs/dbraw/zinc/36/69/88/901366988.db2.gz QUHIOJXPHQBYDX-HAQNSBGRSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001397739369 901450706 /nfs/dbraw/zinc/45/07/06/901450706.db2.gz ZIGUPAKCMMYIAK-FRRDWIJNSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1CCO ZINC001397797084 901458319 /nfs/dbraw/zinc/45/83/19/901458319.db2.gz AMXSPJJPDSAKIV-OCCSQVGLSA-N 2 0 299.415 -0.332 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001397928732 901479924 /nfs/dbraw/zinc/47/99/24/901479924.db2.gz NQMRPLZMWKAYCY-ZDUSSCGKSA-N 2 0 298.431 -0.147 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001398389260 901532990 /nfs/dbraw/zinc/53/29/90/901532990.db2.gz AIFFKRGSMOLIJB-QWHCGFSZSA-N 2 0 296.415 -0.171 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@H](C[N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001398469826 901543372 /nfs/dbraw/zinc/54/33/72/901543372.db2.gz RCZKGFGVLYWPLB-CHWSQXEVSA-N 2 0 298.431 -0.018 20 0 CBADRP CC[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001398469840 901543946 /nfs/dbraw/zinc/54/39/46/901543946.db2.gz RCZKGFGVLYWPLB-STQMWFEESA-N 2 0 298.431 -0.018 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001398534854 901550629 /nfs/dbraw/zinc/55/06/29/901550629.db2.gz HCZDELSEPAGUTO-GMTAPVOTSA-N 2 0 282.388 -0.419 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC001398538200 901552934 /nfs/dbraw/zinc/55/29/34/901552934.db2.gz JWQRGDSNUCVZDB-IJLUTSLNSA-N 2 0 294.399 -0.404 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001398571316 901564219 /nfs/dbraw/zinc/56/42/19/901564219.db2.gz RJYBQGOGIPQSPI-HAQNSBGRSA-N 2 0 294.399 -0.593 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)[NH+](C)C ZINC001398632285 901578471 /nfs/dbraw/zinc/57/84/71/901578471.db2.gz ZCECHJDIBDVJQJ-USZNOCQGSA-N 2 0 282.388 -0.548 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001398663061 901584793 /nfs/dbraw/zinc/58/47/93/901584793.db2.gz NTUYYKKIPZANQF-SDDRHHMPSA-N 2 0 282.388 -0.547 20 0 CBADRP C[NH+](C)CCC(=O)NC1CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001398681605 901588224 /nfs/dbraw/zinc/58/82/24/901588224.db2.gz CTYFFPZUBVSPQU-UHFFFAOYSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001398721173 901597197 /nfs/dbraw/zinc/59/71/97/901597197.db2.gz BRSNICHFXAGYBA-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C)C(N)=O ZINC001398763508 901604054 /nfs/dbraw/zinc/60/40/54/901604054.db2.gz OVFPDHMHNBJNJB-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+][C@@H](C)C(N)=O ZINC001398961987 901641773 /nfs/dbraw/zinc/64/17/73/901641773.db2.gz BQGOIWYQEGXXDQ-NEPJUHHUSA-N 2 0 296.415 -0.170 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001399037568 901654463 /nfs/dbraw/zinc/65/44/63/901654463.db2.gz SMCBUHAFDQOHFE-SRVKXCTJSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@@H]1CCN(C)C1=O ZINC001399035963 901655075 /nfs/dbraw/zinc/65/50/75/901655075.db2.gz OOQUYBFSSDGLDI-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1cnnn1C ZINC001399031506 901655938 /nfs/dbraw/zinc/65/59/38/901655938.db2.gz MRUQGRSJQBMZJB-NSHDSACASA-N 2 0 294.403 -0.249 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001399177571 901681591 /nfs/dbraw/zinc/68/15/91/901681591.db2.gz YURGNVBOSSFAGZ-JSGCOSHPSA-N 2 0 299.415 -0.332 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001399258761 901688338 /nfs/dbraw/zinc/68/83/38/901688338.db2.gz XCHJWLDUMNXOEQ-RYUDHWBXSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N(C)C ZINC001399324058 901700605 /nfs/dbraw/zinc/70/06/05/901700605.db2.gz QNJXJYZVANPRSH-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001399380188 901706648 /nfs/dbraw/zinc/70/66/48/901706648.db2.gz WAXGFGZMBNWBFL-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001457347801 914558716 /nfs/dbraw/zinc/55/87/16/914558716.db2.gz XUIBTJVBHOOPOL-OLZOCXBDSA-N 2 0 298.431 -0.242 20 0 CBADRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001399426100 901711691 /nfs/dbraw/zinc/71/16/91/901711691.db2.gz CSXLQBVZQGOKEL-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CCO ZINC001399431121 901715411 /nfs/dbraw/zinc/71/54/11/901715411.db2.gz UDEOUNJTNWNFSY-QWHCGFSZSA-N 2 0 287.404 -0.569 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001399922087 901835111 /nfs/dbraw/zinc/83/51/11/901835111.db2.gz DBGCNSZNVJNSIZ-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001399936914 901837706 /nfs/dbraw/zinc/83/77/06/901837706.db2.gz YKBNHGPQHFVPOE-NEPJUHHUSA-N 2 0 296.415 -0.360 20 0 CBADRP CN1CC[C@H]([N@@H+]2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001399938512 901838935 /nfs/dbraw/zinc/83/89/35/901838935.db2.gz ZVMFWMGPDCAEID-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP CC[C@H](C(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001400015391 901853827 /nfs/dbraw/zinc/85/38/27/901853827.db2.gz DXOZYCVZVQMQGF-JHJVBQTASA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001400064814 901870183 /nfs/dbraw/zinc/87/01/83/901870183.db2.gz DOGSFOOXEBRMQP-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001400176839 901890008 /nfs/dbraw/zinc/89/00/08/901890008.db2.gz PAFQVZAMCQTSFA-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001400176831 901890177 /nfs/dbraw/zinc/89/01/77/901890177.db2.gz PAFQVZAMCQTSFA-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001400226626 901900250 /nfs/dbraw/zinc/90/02/50/901900250.db2.gz CCYGVJAZCREZCT-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CC(=O)NC ZINC001400807632 902021098 /nfs/dbraw/zinc/02/10/98/902021098.db2.gz YSURXNJMYVYCBQ-RWMBFGLXSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001400837603 902023882 /nfs/dbraw/zinc/02/38/82/902023882.db2.gz YJLSJTVIHPQVQX-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC(N)=O ZINC001400825415 902024899 /nfs/dbraw/zinc/02/48/99/902024899.db2.gz MKWHMEMDVUDKPH-NSHDSACASA-N 2 0 282.388 -0.416 20 0 CBADRP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(N)=O ZINC001400837607 902026674 /nfs/dbraw/zinc/02/66/74/902026674.db2.gz YJLSJTVIHPQVQX-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]CC(=O)NC ZINC001400870761 902033689 /nfs/dbraw/zinc/03/36/89/902033689.db2.gz YSIIWMHDRQKYNH-DGCLKSJQSA-N 2 0 286.420 -0.197 20 0 CBADRP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H](C)C(=O)NC ZINC001400903498 902036847 /nfs/dbraw/zinc/03/68/47/902036847.db2.gz KJILBRBFYXJARE-NEPJUHHUSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H](C)C(=O)NC ZINC001400903502 902037041 /nfs/dbraw/zinc/03/70/41/902037041.db2.gz KJILBRBFYXJARE-VXGBXAGGSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001401106569 902054917 /nfs/dbraw/zinc/05/49/17/902054917.db2.gz JFVRBZPIZSQXBS-VXGBXAGGSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001401120951 902057779 /nfs/dbraw/zinc/05/77/79/902057779.db2.gz CSYGVNRGPRUSLA-VXGBXAGGSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C[NH2+]CC(=O)N(C)C ZINC001401128592 902060473 /nfs/dbraw/zinc/06/04/73/902060473.db2.gz KZJFHBKXGFASHE-OLZOCXBDSA-N 2 0 298.431 -0.242 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1nncn1C ZINC001401125408 902061052 /nfs/dbraw/zinc/06/10/52/902061052.db2.gz OITXANRZFMVYFS-NWDGAFQWSA-N 2 0 294.403 -0.249 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001401175821 902072883 /nfs/dbraw/zinc/07/28/83/902072883.db2.gz LZMVSWDAHDWKJQ-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)N(C)C(=O)C[NH+]1CCCC1 ZINC001401255581 902095019 /nfs/dbraw/zinc/09/50/19/902095019.db2.gz HKOHUXNHBHKBOL-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001401295369 902099692 /nfs/dbraw/zinc/09/96/92/902099692.db2.gz KGCFQKCMLZCAKN-VXGBXAGGSA-N 2 0 284.404 -0.489 20 0 CBADRP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001401274214 902100605 /nfs/dbraw/zinc/10/06/05/902100605.db2.gz RIQJTJYODYLONV-CYBMUJFWSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001401570037 902172155 /nfs/dbraw/zinc/17/21/55/902172155.db2.gz SSZOTGGGYZZICD-NWDGAFQWSA-N 2 0 285.388 -0.938 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001401570045 902173543 /nfs/dbraw/zinc/17/35/43/902173543.db2.gz SSZOTGGGYZZICD-RYUDHWBXSA-N 2 0 285.388 -0.938 20 0 CBADRP C[NH+]1CCC(OCC(=O)NC[C@@H](O)C[NH2+]CC2CC2)CC1 ZINC001401583379 902175919 /nfs/dbraw/zinc/17/59/19/902175919.db2.gz ZHNPJFSSZQXIFS-ZDUSSCGKSA-N 2 0 299.415 -0.426 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccn(C)n1 ZINC001401589209 902178886 /nfs/dbraw/zinc/17/88/86/902178886.db2.gz PRTDIUQNYVSPEU-ZDUSSCGKSA-N 2 0 297.403 -0.673 20 0 CBADRP C[C@@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001401591227 902179080 /nfs/dbraw/zinc/17/90/80/902179080.db2.gz NONXZXVAZYKAIA-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001401610059 902188029 /nfs/dbraw/zinc/18/80/29/902188029.db2.gz MNEFEAQBKRWARV-QWRGUYRKSA-N 2 0 270.377 -0.750 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001401650804 902210138 /nfs/dbraw/zinc/21/01/38/902210138.db2.gz HMZKJQPCOFLJLC-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001401677204 902223087 /nfs/dbraw/zinc/22/30/87/902223087.db2.gz YCAKNXVZJKVXBR-AAEUAGOBSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001401685228 902229438 /nfs/dbraw/zinc/22/94/38/902229438.db2.gz JWEMEGUTHMKYIG-VHSXEESVSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401722191 902246531 /nfs/dbraw/zinc/24/65/31/902246531.db2.gz MYGPNTARRQFAIK-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001401860466 902292220 /nfs/dbraw/zinc/29/22/20/902292220.db2.gz DQOHALOPMDMXGG-MNOVXSKESA-N 2 0 270.377 -0.704 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001401869083 902294225 /nfs/dbraw/zinc/29/42/25/902294225.db2.gz LFRQJPCHCMIGAI-LBPRGKRZSA-N 2 0 284.404 -0.489 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)NC)CC1 ZINC001401989754 902331777 /nfs/dbraw/zinc/33/17/77/902331777.db2.gz YKNRYFCLHNAGIC-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP CC(C)[C@H](C(=O)NCC1([NH2+]CC(=O)N(C)C)CC1)[NH+](C)C ZINC001401976493 902332989 /nfs/dbraw/zinc/33/29/89/902332989.db2.gz DWTRKHKCBMTALG-CYBMUJFWSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001402064426 902347218 /nfs/dbraw/zinc/34/72/18/902347218.db2.gz XUZKBTGXRJDEIA-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001402060353 902348247 /nfs/dbraw/zinc/34/82/47/902348247.db2.gz PTGZHVVTHRYWGV-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001402081896 902351012 /nfs/dbraw/zinc/35/10/12/902351012.db2.gz QPTVZDSUKRZRIS-LLVKDONJSA-N 2 0 270.377 -0.606 20 0 CBADRP C[NH+](C)C1(C(=O)NCCN2CC[NH+](CCO)CC2)CCC1 ZINC001402099058 902356921 /nfs/dbraw/zinc/35/69/21/902356921.db2.gz FEJSGCLOIWLWKB-UHFFFAOYSA-N 2 0 298.431 -0.803 20 0 CBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402225879 902385423 /nfs/dbraw/zinc/38/54/23/902385423.db2.gz HFRHDPQTKWMJLZ-CHWSQXEVSA-N 2 0 297.399 -0.720 20 0 CBADRP CO[C@H](C)C[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001402258296 902395290 /nfs/dbraw/zinc/39/52/90/902395290.db2.gz BLOILUWEMIAQOI-OCCSQVGLSA-N 2 0 287.404 -0.474 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001402314347 902422332 /nfs/dbraw/zinc/42/23/32/902422332.db2.gz XWOCTTFRINWDCS-RAIGVLPGSA-N 2 0 296.415 -0.443 20 0 CBADRP C[C@@H]([NH2+][C@@H](CNC(=O)CC[NH+](C)C)C1CC1)C(=O)N(C)C ZINC001402345154 902428281 /nfs/dbraw/zinc/42/82/81/902428281.db2.gz MZTMTSJDHYLCPG-YPMHNXCESA-N 2 0 298.431 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]([NH2+][C@H]1CCNC1=O)C1CC1 ZINC001402370071 902440311 /nfs/dbraw/zinc/44/03/11/902440311.db2.gz XNMJTKVCMZVPRB-STQMWFEESA-N 2 0 296.415 -0.299 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001402402697 902443439 /nfs/dbraw/zinc/44/34/39/902443439.db2.gz JJEZYXPSNICAFP-CYBMUJFWSA-N 2 0 296.415 -0.262 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001402429388 902448190 /nfs/dbraw/zinc/44/81/90/902448190.db2.gz FDFHMFRANAYWIZ-RYUDHWBXSA-N 2 0 282.388 -0.641 20 0 CBADRP CC[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001402441003 902452742 /nfs/dbraw/zinc/45/27/42/902452742.db2.gz WEUNTTRXXPTCKR-FRRDWIJNSA-N 2 0 296.415 -0.408 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001402457513 902454440 /nfs/dbraw/zinc/45/44/40/902454440.db2.gz NKGJKJGSNLQFMT-ZFWWWQNUSA-N 2 0 299.415 -0.736 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001402457501 902456617 /nfs/dbraw/zinc/45/66/17/902456617.db2.gz NKGJKJGSNLQFMT-HIFRSBDPSA-N 2 0 299.415 -0.736 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001402488089 902464173 /nfs/dbraw/zinc/46/41/73/902464173.db2.gz BUVMSBWDDJODEN-SRVKXCTJSA-N 2 0 296.415 -0.158 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001402513693 902468074 /nfs/dbraw/zinc/46/80/74/902468074.db2.gz NQJURVKHCZESIU-FDYHWXHSSA-N 2 0 296.415 -0.206 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncnn2C)C1)[NH+](C)C ZINC001402584160 902484102 /nfs/dbraw/zinc/48/41/02/902484102.db2.gz DCNBNQOQSOFEMF-GRYCIOLGSA-N 2 0 294.403 -0.108 20 0 CBADRP CN(C)C(=O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001402595039 902487348 /nfs/dbraw/zinc/48/73/48/902487348.db2.gz UTFFRCSIHSYRAX-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001402632645 902493880 /nfs/dbraw/zinc/49/38/80/902493880.db2.gz PKDYKVDESIGULL-UTUOFQBUSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[C@H](C(=O)N(C)CCC[N@H+](C)[C@@H](C)C(N)=O)[NH+](C)C ZINC001402641225 902496492 /nfs/dbraw/zinc/49/64/92/902496492.db2.gz GJYCRCIXOBQVRU-NWDGAFQWSA-N 2 0 286.420 -0.019 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001402667381 902501597 /nfs/dbraw/zinc/50/15/97/902501597.db2.gz NCSHDSDDVXJCFB-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001402667376 902501732 /nfs/dbraw/zinc/50/17/32/902501732.db2.gz NCSHDSDDVXJCFB-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O)[NH+](C)C ZINC001402760216 902515842 /nfs/dbraw/zinc/51/58/42/902515842.db2.gz WIELKAQKSQBCSC-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001402760956 902516079 /nfs/dbraw/zinc/51/60/79/902516079.db2.gz QHJAMQDUKCKDSJ-BFHYXJOUSA-N 2 0 299.415 -0.474 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001402752843 902516586 /nfs/dbraw/zinc/51/65/86/902516586.db2.gz CSSICOTXQZSMNH-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001402801707 902522478 /nfs/dbraw/zinc/52/24/78/902522478.db2.gz ZQDYHZJDESTXCC-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001402820114 902525695 /nfs/dbraw/zinc/52/56/95/902525695.db2.gz XKVKFRSERIUMGJ-NWDGAFQWSA-N 2 0 284.404 -0.299 20 0 CBADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001403006033 902589840 /nfs/dbraw/zinc/58/98/40/902589840.db2.gz NICSSEOEXYFFDR-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP CC(C)NC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001403047638 902599110 /nfs/dbraw/zinc/59/91/10/902599110.db2.gz JYFMBHYITKWDNW-VXGBXAGGSA-N 2 0 286.420 -0.055 20 0 CBADRP CC[C@H]([NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001403042216 902599559 /nfs/dbraw/zinc/59/95/59/902599559.db2.gz IOKLWPUTUWHHRS-PWSUYJOCSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H](C)C(N)=O ZINC001403040617 902600060 /nfs/dbraw/zinc/60/00/60/902600060.db2.gz JOGSIKYMYOJVTJ-NXEZZACHSA-N 2 0 270.377 -0.561 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001403057609 902602481 /nfs/dbraw/zinc/60/24/81/902602481.db2.gz CKLCOFNHRQQEBB-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001403074554 902608740 /nfs/dbraw/zinc/60/87/40/902608740.db2.gz YARGQVBZBBXLLC-GHMZBOCLSA-N 2 0 284.404 -0.301 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@H]1CCCNC1=O ZINC001403075478 902609755 /nfs/dbraw/zinc/60/97/55/902609755.db2.gz KPAQRVQETLENFL-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cnnn1C ZINC001403087533 902611276 /nfs/dbraw/zinc/61/12/76/902611276.db2.gz QJXWBKMSOGYNEC-NSHDSACASA-N 2 0 292.387 -0.495 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001403085044 902613634 /nfs/dbraw/zinc/61/36/34/902613634.db2.gz NFZBNKMEGAKHOD-NEPJUHHUSA-N 2 0 285.388 -0.816 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001403154052 902630160 /nfs/dbraw/zinc/63/01/60/902630160.db2.gz AZLBQFUAZBXKGA-NWDGAFQWSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@@H]1CCCNC1=O ZINC001403174198 902638395 /nfs/dbraw/zinc/63/83/95/902638395.db2.gz XQOKSFCELCTXGW-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@H]1CCN(C)C1=O ZINC001403181566 902638463 /nfs/dbraw/zinc/63/84/63/902638463.db2.gz ACGGWYXYCNSCJR-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001403259713 902658511 /nfs/dbraw/zinc/65/85/11/902658511.db2.gz WWLRGOXUZTXMMD-GFCCVEGCSA-N 2 0 284.404 -0.536 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001403263436 902659039 /nfs/dbraw/zinc/65/90/39/902659039.db2.gz QKNMJJOEFMUZAS-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001403436659 902689042 /nfs/dbraw/zinc/68/90/42/902689042.db2.gz RNZGTALZWLYPRE-VXGBXAGGSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cnnn1C ZINC001403460062 902696390 /nfs/dbraw/zinc/69/63/90/902696390.db2.gz BPQHVMSWFZOXOF-GFCCVEGCSA-N 2 0 294.403 -0.105 20 0 CBADRP CNC(=O)[C@H](C)N(C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001403578526 902739598 /nfs/dbraw/zinc/73/95/98/902739598.db2.gz SVUBVPVCUXMCRC-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCn1cncn1 ZINC001403591549 902744155 /nfs/dbraw/zinc/74/41/55/902744155.db2.gz VSRANQIOPIEELR-QWHCGFSZSA-N 2 0 294.403 -0.191 20 0 CBADRP CC(C)[NH2+][C@H](CO)CNC(=O)COC1CC[NH+](C)CC1 ZINC001403726359 902823748 /nfs/dbraw/zinc/82/37/48/902823748.db2.gz WUVKEQHDZUUMIK-LBPRGKRZSA-N 2 0 287.404 -0.428 20 0 CBADRP CC[C@H](F)C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001403729916 902824566 /nfs/dbraw/zinc/82/45/66/902824566.db2.gz QBEROKVEGJJMTE-RYUDHWBXSA-N 2 0 287.379 -0.103 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001403740395 902833130 /nfs/dbraw/zinc/83/31/30/902833130.db2.gz WFTUPYFHTNMFKK-STQMWFEESA-N 2 0 287.404 -0.617 20 0 CBADRP C[C@@H]1C[C@H]([NH2+]CCn2cncn2)CN1C(=O)CC[NH+](C)C ZINC001403750234 902836871 /nfs/dbraw/zinc/83/68/71/902836871.db2.gz RFXARUUKAAGDBK-OLZOCXBDSA-N 2 0 294.403 -0.191 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)C[C@H]1C ZINC001403751944 902839138 /nfs/dbraw/zinc/83/91/38/902839138.db2.gz NNBQQKMOHHFAIR-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP CC(C)(C)[C@H](C[NH2+]CC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001403953272 902911381 /nfs/dbraw/zinc/91/13/81/902911381.db2.gz CJCONSQPJOYSKK-NSHDSACASA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C)C1 ZINC001403993878 902919479 /nfs/dbraw/zinc/91/94/79/902919479.db2.gz VUROWZOXVYONIN-RYUDHWBXSA-N 2 0 298.431 -0.066 20 0 CBADRP NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001404106494 902940910 /nfs/dbraw/zinc/94/09/10/902940910.db2.gz RBVWERPWVOIKTJ-ZDUSSCGKSA-N 2 0 296.415 -0.214 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001404309857 902970266 /nfs/dbraw/zinc/97/02/66/902970266.db2.gz FETCZTSXOBCZKQ-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+][C@H]1CCCNC1=O ZINC001404312849 902970307 /nfs/dbraw/zinc/97/03/07/902970307.db2.gz ACPUTLXKKOZNJU-LBPRGKRZSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)CC[NH+](C)C ZINC001458821046 914681042 /nfs/dbraw/zinc/68/10/42/914681042.db2.gz ZAWXZTINTAOASE-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H](O)C[NH+]1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001404927031 903055528 /nfs/dbraw/zinc/05/55/28/903055528.db2.gz ZWSZRZLXUNVXPC-GFCCVEGCSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[C@@H](C(=O)NC[C@H]1CCN1C(=O)CC[NH+](C)C)[NH+](C)C ZINC001458815309 914682435 /nfs/dbraw/zinc/68/24/35/914682435.db2.gz HABLLZHWPUQWSD-OLZOCXBDSA-N 2 0 298.431 -0.005 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001405069546 903078898 /nfs/dbraw/zinc/07/88/98/903078898.db2.gz RNKYWSPMZMLAPU-MCIONIFRSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@@H](C)C(=O)NC ZINC001405287876 903138410 /nfs/dbraw/zinc/13/84/10/903138410.db2.gz JMPZJICIZBFZME-AAEUAGOBSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)[NH2+]CCO ZINC001405336357 903149060 /nfs/dbraw/zinc/14/90/60/903149060.db2.gz CNSWUTYHKZETHA-CHWSQXEVSA-N 2 0 287.404 -0.569 20 0 CBADRP CNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001405429083 903166621 /nfs/dbraw/zinc/16/66/21/903166621.db2.gz BDYWAJFYJYMKRA-IUODEOHRSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001405429094 903167721 /nfs/dbraw/zinc/16/77/21/903167721.db2.gz BDYWAJFYJYMKRA-SWLSCSKDSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001405598592 903186604 /nfs/dbraw/zinc/18/66/04/903186604.db2.gz WRQZOWCFFKYMHV-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001405704144 903204315 /nfs/dbraw/zinc/20/43/15/903204315.db2.gz ZKFWPFQNMWHIAJ-NWDGAFQWSA-N 2 0 286.420 -0.243 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001405720235 903209543 /nfs/dbraw/zinc/20/95/43/903209543.db2.gz QODSOIBGKXTCOW-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1cnn(C)n1 ZINC001405739954 903211906 /nfs/dbraw/zinc/21/19/06/903211906.db2.gz HFGACQLFGCJLOB-DGCLKSJQSA-N 2 0 294.403 -0.249 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001405875506 903242664 /nfs/dbraw/zinc/24/26/64/903242664.db2.gz VALHBUKWMGRHKM-NEPJUHHUSA-N 2 0 296.415 -0.347 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)[C@H](C)C1 ZINC001405956466 903248775 /nfs/dbraw/zinc/24/87/75/903248775.db2.gz BFWFMYBTXPMBMV-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001405971265 903248959 /nfs/dbraw/zinc/24/89/59/903248959.db2.gz MVBOEDFNXWCECH-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001406063919 903259113 /nfs/dbraw/zinc/25/91/13/903259113.db2.gz GNBSXQRJEHIPBB-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001406060644 903259352 /nfs/dbraw/zinc/25/93/52/903259352.db2.gz CLGINTDEQUGSLV-WDEREUQCSA-N 2 0 270.377 -0.846 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@H]([NH2+][C@H]1CCNC1=O)C(C)C ZINC001406075147 903262280 /nfs/dbraw/zinc/26/22/80/903262280.db2.gz NNURWCFGODJMQM-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP NC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001406192071 903288303 /nfs/dbraw/zinc/28/83/03/903288303.db2.gz NJRNQXDCUONQME-VXGBXAGGSA-N 2 0 294.399 -0.558 20 0 CBADRP CC[C@H](F)C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001406293132 903342521 /nfs/dbraw/zinc/34/25/21/903342521.db2.gz ZGYIMIYVDFXILE-RYUDHWBXSA-N 2 0 287.379 -0.103 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](O)C[NH2+]CC1CC1 ZINC001406283879 903343715 /nfs/dbraw/zinc/34/37/15/903343715.db2.gz JOLSMQIRZPCJMV-TZMCWYRMSA-N 2 0 299.415 -0.569 20 0 CBADRP C[C@H](CC[NH2+][C@@H]1CCCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001406310880 903350356 /nfs/dbraw/zinc/35/03/56/903350356.db2.gz JPRQCFQNWATBGK-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](CC[NH2+][C@@H]1CCCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001406310903 903350762 /nfs/dbraw/zinc/35/07/62/903350762.db2.gz JPRQCFQNWATBGK-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001406321377 903353536 /nfs/dbraw/zinc/35/35/36/903353536.db2.gz DXGYYYPRFBCQLQ-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001406359008 903372612 /nfs/dbraw/zinc/37/26/12/903372612.db2.gz AMOBLWKLOZWIOQ-ZYHUDNBSSA-N 2 0 282.388 -0.832 20 0 CBADRP C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001406387856 903387467 /nfs/dbraw/zinc/38/74/67/903387467.db2.gz UBPJBWMYGXFZQQ-IJLUTSLNSA-N 2 0 284.404 -0.348 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001406405704 903391434 /nfs/dbraw/zinc/39/14/34/903391434.db2.gz LBPBPUYOSUTVJF-GFCCVEGCSA-N 2 0 284.404 -0.441 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001406409189 903395529 /nfs/dbraw/zinc/39/55/29/903395529.db2.gz VJRQEMFKOZXLAL-MNOVXSKESA-N 2 0 284.404 -0.443 20 0 CBADRP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001406437640 903399410 /nfs/dbraw/zinc/39/94/10/903399410.db2.gz XIFATQLFKGMURN-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001406516370 903422648 /nfs/dbraw/zinc/42/26/48/903422648.db2.gz UYSJIYSIXXUYKU-CMPLNLGQSA-N 2 0 272.393 -0.587 20 0 CBADRP C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001406524276 903423044 /nfs/dbraw/zinc/42/30/44/903423044.db2.gz WHLYIIONCYMPJG-RYUDHWBXSA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001406518220 903423799 /nfs/dbraw/zinc/42/37/99/903423799.db2.gz GBTKXUCTUJKFON-NEPJUHHUSA-N 2 0 296.415 -0.299 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001406543398 903429172 /nfs/dbraw/zinc/42/91/72/903429172.db2.gz JDBIOKJVGFOLOC-XQQFMLRXSA-N 2 0 287.404 -0.570 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001406704691 903467296 /nfs/dbraw/zinc/46/72/96/903467296.db2.gz XYUXBDLXKYRZIY-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001406781877 903479463 /nfs/dbraw/zinc/47/94/63/903479463.db2.gz ZMBVPZOTMYSPRF-CHWSQXEVSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001406782767 903480008 /nfs/dbraw/zinc/48/00/08/903480008.db2.gz MBQRJADNIBOVAP-LBPRGKRZSA-N 2 0 294.399 -0.687 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001406872007 903495887 /nfs/dbraw/zinc/49/58/87/903495887.db2.gz GLQGENVJHLPROB-QWHCGFSZSA-N 2 0 299.415 -0.332 20 0 CBADRP COC[C@@H](O)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001406957926 903517331 /nfs/dbraw/zinc/51/73/31/903517331.db2.gz MOSOTONFBINYPL-STQMWFEESA-N 2 0 299.415 -0.426 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+][C@H](C)C(N)=O)CC1 ZINC001407008911 903523452 /nfs/dbraw/zinc/52/34/52/903523452.db2.gz PLWMSCVICMFRJJ-SNVBAGLBSA-N 2 0 270.377 -0.561 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001407007090 903524131 /nfs/dbraw/zinc/52/41/31/903524131.db2.gz YEUWVDVVSYZKMA-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001407235655 903559088 /nfs/dbraw/zinc/55/90/88/903559088.db2.gz LGZRZLGQQHMIAJ-SWLSCSKDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2(C)CC[NH+](CC(N)=O)CC2)C1 ZINC001407272906 903560727 /nfs/dbraw/zinc/56/07/27/903560727.db2.gz WVPJNIVDAACXCV-GFCCVEGCSA-N 2 0 296.415 -0.358 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001407241194 903561035 /nfs/dbraw/zinc/56/10/35/903561035.db2.gz RUMZVFDQXHKPJT-IUODEOHRSA-N 2 0 298.431 -0.099 20 0 CBADRP C[N@H+](CC(=O)NC[C@]1(O)CC[NH+](CCCO)C1)C1CCC1 ZINC001407343288 903571810 /nfs/dbraw/zinc/57/18/10/903571810.db2.gz GXZLCJNRRYWAHX-OAHLLOKOSA-N 2 0 299.415 -0.594 20 0 CBADRP CCNC(=O)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001407807354 903662811 /nfs/dbraw/zinc/66/28/11/903662811.db2.gz WKQLLXBZCZOJQO-UHFFFAOYSA-N 2 0 284.404 -0.297 20 0 CBADRP CN(CCC[N@H+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001407880349 903676759 /nfs/dbraw/zinc/67/67/59/903676759.db2.gz SJRFEPAQSJFIFL-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CNC(=O)C[N@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001407915235 903678611 /nfs/dbraw/zinc/67/86/11/903678611.db2.gz KTJITXVGUYJCAH-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP CN(CCC[N@H+](C)[C@H]1CCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001407947336 903681075 /nfs/dbraw/zinc/68/10/75/903681075.db2.gz JZBDLDQDINFDLN-ZDUSSCGKSA-N 2 0 296.415 -0.249 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001408100807 903712390 /nfs/dbraw/zinc/71/23/90/903712390.db2.gz OFPAUNNIUQXMME-RYUDHWBXSA-N 2 0 282.388 -0.735 20 0 CBADRP C[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H](C)C(N)=O ZINC001408200142 903728894 /nfs/dbraw/zinc/72/88/94/903728894.db2.gz YXJOCXVQHMQGMI-QWRGUYRKSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H](CCNC(=O)CC[NH+](C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001408499520 903766070 /nfs/dbraw/zinc/76/60/70/903766070.db2.gz TWWQOEMCIPGMEZ-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+](C)CCC(=O)N1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001409066840 903843321 /nfs/dbraw/zinc/84/33/21/903843321.db2.gz OKPNMHYJVOVZRB-UHFFFAOYSA-N 2 0 296.415 -0.251 20 0 CBADRP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+]CC(=O)NC)C1 ZINC001409289398 903878205 /nfs/dbraw/zinc/87/82/05/903878205.db2.gz QOGWQGGSLYOJMI-UHFFFAOYSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CC(C)(C)C[NH2+]CC(N)=O)C1 ZINC001409436391 903900765 /nfs/dbraw/zinc/90/07/65/903900765.db2.gz ALCHXXFBEKXTKT-GFCCVEGCSA-N 2 0 298.431 -0.112 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001409425777 903902378 /nfs/dbraw/zinc/90/23/78/903902378.db2.gz LDASQBUQFKGEOC-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001409682731 903954735 /nfs/dbraw/zinc/95/47/35/903954735.db2.gz NSXIIRMMQDXZTG-NEPJUHHUSA-N 2 0 284.404 -0.217 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001410194967 904042592 /nfs/dbraw/zinc/04/25/92/904042592.db2.gz XNQNQZCQHVNWTQ-AVGNSLFASA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001410211875 904043911 /nfs/dbraw/zinc/04/39/11/904043911.db2.gz PXGAIGQOWBSFDO-FIQHERPVSA-N 2 0 284.404 -0.315 20 0 CBADRP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1)[NH+](C)C ZINC001410220725 904049104 /nfs/dbraw/zinc/04/91/04/904049104.db2.gz KVPTULSZWWCJQJ-ZDEQEGDKSA-N 2 0 296.415 -0.301 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001410230978 904050091 /nfs/dbraw/zinc/05/00/91/904050091.db2.gz KJGMBXYSTHUFSL-JOCQHMNTSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC([N@H+](C)CC(N)=O)CC1 ZINC001410250320 904053815 /nfs/dbraw/zinc/05/38/15/904053815.db2.gz QCCHLHNNVYZYCA-UHFFFAOYSA-N 2 0 270.377 -0.654 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CC[NH+](C)C ZINC001410286310 904058202 /nfs/dbraw/zinc/05/82/02/904058202.db2.gz ZFOVQOOSVMHZMS-JHJVBQTASA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001410279873 904058261 /nfs/dbraw/zinc/05/82/61/904058261.db2.gz FLZXVJGARPEMAL-NWDGAFQWSA-N 2 0 284.404 -0.456 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001410335355 904072623 /nfs/dbraw/zinc/07/26/23/904072623.db2.gz UZMLGVHZAXMMAN-JSGCOSHPSA-N 2 0 298.431 -0.116 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC001410526848 904112721 /nfs/dbraw/zinc/11/27/21/904112721.db2.gz XUOYZWSQLFPNFI-QWRGUYRKSA-N 2 0 272.393 -0.363 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H]1CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001410618061 904144799 /nfs/dbraw/zinc/14/47/99/904144799.db2.gz GVRCFPINJQMITA-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001410916635 904203527 /nfs/dbraw/zinc/20/35/27/904203527.db2.gz OYRYDLGFJHDZPJ-UHFFFAOYSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001411075179 904230157 /nfs/dbraw/zinc/23/01/57/904230157.db2.gz BBLFLCCCRINQQH-NEPJUHHUSA-N 2 0 287.404 -0.882 20 0 CBADRP COCC[N@H+](CCO)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001411223046 904269038 /nfs/dbraw/zinc/26/90/38/904269038.db2.gz HGFFPXKIZIJJBS-CYBMUJFWSA-N 2 0 287.404 -0.472 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001411224478 904269117 /nfs/dbraw/zinc/26/91/17/904269117.db2.gz OVLLYEFFPCAOGN-JTQLQIEISA-N 2 0 272.393 -0.456 20 0 CBADRP C[C@@H](NC(=O)CC[NH+](C)C)C1CC[NH+](CC(N)=O)CC1 ZINC001411229846 904269238 /nfs/dbraw/zinc/26/92/38/904269238.db2.gz MRBXOUGUDXZMKF-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+][C@H](C)C(N)=O)C1 ZINC001411269122 904275788 /nfs/dbraw/zinc/27/57/88/904275788.db2.gz BJVRUUWNWLVFMQ-VOMCLLRMSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@@H]1NC(=O)N(CC[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1=O ZINC001460602139 914800563 /nfs/dbraw/zinc/80/05/63/914800563.db2.gz FMQNVVUENKPVKH-TUAOUCFPSA-N 2 0 280.372 -0.190 20 0 CBADRP C[C@H]1CN(C(=O)CC[N@@H+]2CC[C@H](F)C2)CCN1CCO ZINC001412050478 904431683 /nfs/dbraw/zinc/43/16/83/904431683.db2.gz KYMADZXJQZUMRU-STQMWFEESA-N 2 0 287.379 -0.055 20 0 CBADRP C[NH+]1CCN(C2CN(C(=O)CC[N@@H+]3CC[C@@H](F)C3)C2)CC1 ZINC001412895108 904789466 /nfs/dbraw/zinc/78/94/66/904789466.db2.gz HBDINSYLZODLPN-CYBMUJFWSA-N 2 0 298.406 -0.122 20 0 CBADRP CC[N@H+](C)[C@@H]1CCN(C[C@@H](O)C[NH+](C)CCOC)C1 ZINC001460993526 914845628 /nfs/dbraw/zinc/84/56/28/914845628.db2.gz TXQJKEUROUCWTO-KGLIPLIRSA-N 2 0 273.421 -0.049 20 0 CBADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C1(O)COC1 ZINC001413269097 904984433 /nfs/dbraw/zinc/98/44/33/904984433.db2.gz ZIEATIJAYQUKBY-NSHDSACASA-N 2 0 273.377 -0.864 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCN(C3CN(C)C3)CC2)CC[N@@H+]1C ZINC001413546404 905121020 /nfs/dbraw/zinc/12/10/20/905121020.db2.gz QRDIDPFAHSXYNN-TZMCWYRMSA-N 2 0 280.416 -0.215 20 0 CBADRP C[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+](C)C ZINC001413734439 905187218 /nfs/dbraw/zinc/18/72/18/905187218.db2.gz ZVPYTCJSIJVJFE-NWDGAFQWSA-N 2 0 271.409 -0.519 20 0 CBADRP C[NH+](C)C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@H]1C[NH+](C)C ZINC001413900844 905264724 /nfs/dbraw/zinc/26/47/24/905264724.db2.gz UIMZOQCHSFGMGP-NXEZZACHSA-N 3 0 294.407 -0.788 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001414543075 905447582 /nfs/dbraw/zinc/44/75/82/905447582.db2.gz YCPSYRQPCBLKLK-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP CC[NH+](CC)CC(=O)NC1CN(C(=O)CCC[NH+](C)C)C1 ZINC001415999557 905692015 /nfs/dbraw/zinc/69/20/15/905692015.db2.gz KWKKRDSTWFKDID-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)C[NH+]1CCCC1 ZINC001416816749 905808959 /nfs/dbraw/zinc/80/89/59/905808959.db2.gz ZOUMOEJNQDZANH-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001416859941 905816983 /nfs/dbraw/zinc/81/69/83/905816983.db2.gz DXOZYCVZVQMQGF-UPJWGTAASA-N 2 0 298.431 -0.101 20 0 CBADRP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001416939221 905839884 /nfs/dbraw/zinc/83/98/84/905839884.db2.gz GDDATNVFWJOKLV-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001417076667 905859606 /nfs/dbraw/zinc/85/96/06/905859606.db2.gz NYJKJDANIPTFHH-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001417742750 906036855 /nfs/dbraw/zinc/03/68/55/906036855.db2.gz AMZFPMWCFQSXFP-STQMWFEESA-N 2 0 287.404 -0.522 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001417794499 906054768 /nfs/dbraw/zinc/05/47/68/906054768.db2.gz BYAZBOGGUZKORA-IJLUTSLNSA-N 2 0 284.404 -0.443 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001417801800 906057418 /nfs/dbraw/zinc/05/74/18/906057418.db2.gz MYZXMVODZXHSHG-RVMXOQNASA-N 2 0 296.415 -0.443 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001417801174 906058936 /nfs/dbraw/zinc/05/89/36/906058936.db2.gz WQQIYFLGPXZQKI-SRVKXCTJSA-N 2 0 282.388 -0.560 20 0 CBADRP CC[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)NC)C1CC1)[NH+](C)C ZINC001417985232 906130945 /nfs/dbraw/zinc/13/09/45/906130945.db2.gz QVDHQWDSXVCORF-VXGBXAGGSA-N 2 0 284.404 -0.443 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001418042833 906145955 /nfs/dbraw/zinc/14/59/55/906145955.db2.gz PAJLKKJTTXTOKB-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001418069482 906154512 /nfs/dbraw/zinc/15/45/12/906154512.db2.gz AGFXIUGEYHLYFY-GVXVVHGQSA-N 2 0 284.404 -0.445 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nncn2C)C1)[NH+](C)C ZINC001418064802 906156307 /nfs/dbraw/zinc/15/63/07/906156307.db2.gz QYOKURRUOGKJTD-SRVKXCTJSA-N 2 0 294.403 -0.108 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001418068299 906156444 /nfs/dbraw/zinc/15/64/44/906156444.db2.gz NBGZWIOLINDHFG-CYDGBPFRSA-N 2 0 296.415 -0.158 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001418074572 906158849 /nfs/dbraw/zinc/15/88/49/906158849.db2.gz COKRSGOSKGPGSR-XUXIUFHCSA-N 2 0 299.415 -0.428 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001418076145 906159234 /nfs/dbraw/zinc/15/92/34/906159234.db2.gz ZQUVMHZUEWQULK-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001418107044 906173324 /nfs/dbraw/zinc/17/33/24/906173324.db2.gz BVFFOGYXVOEMIJ-RWMBFGLXSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001418121419 906176375 /nfs/dbraw/zinc/17/63/75/906176375.db2.gz DOPRVFODBDYJKP-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001418208939 906206881 /nfs/dbraw/zinc/20/68/81/906206881.db2.gz DZPSVUHUSRWVBL-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC)CC[N@@H+]1C ZINC001418233286 906227970 /nfs/dbraw/zinc/22/79/70/906227970.db2.gz XJMFFIYJIDUMDV-GRYCIOLGSA-N 2 0 284.404 -0.443 20 0 CBADRP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001418237564 906232555 /nfs/dbraw/zinc/23/25/55/906232555.db2.gz JCDAALZEIUWYKE-YPMHNXCESA-N 2 0 286.420 -0.245 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001418235761 906233143 /nfs/dbraw/zinc/23/31/43/906233143.db2.gz OGIUGPKDWXTRHN-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@@H]1CCNC1=O ZINC001418264847 906246008 /nfs/dbraw/zinc/24/60/08/906246008.db2.gz DGOZHFBVYZALOV-ZYHUDNBSSA-N 2 0 282.388 -0.689 20 0 CBADRP CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001418269907 906249041 /nfs/dbraw/zinc/24/90/41/906249041.db2.gz SWEIDAPROGBMNB-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001418298252 906271343 /nfs/dbraw/zinc/27/13/43/906271343.db2.gz GAIMJNVIXFKMSQ-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CC(N)=O ZINC001418315308 906278758 /nfs/dbraw/zinc/27/87/58/906278758.db2.gz WXPIYOJWDKFGSN-NSHDSACASA-N 2 0 270.377 -0.558 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001418348767 906291888 /nfs/dbraw/zinc/29/18/88/906291888.db2.gz JYPJSGBJUAPFGZ-GFCCVEGCSA-N 2 0 294.399 -0.734 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001418346888 906291909 /nfs/dbraw/zinc/29/19/09/906291909.db2.gz VFPULBJXQYXRPY-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001418362765 906298079 /nfs/dbraw/zinc/29/80/79/906298079.db2.gz UVUUIFZBQXSDBJ-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001418398201 906307467 /nfs/dbraw/zinc/30/74/67/906307467.db2.gz UUEUGJZLPJVGIY-DGCLKSJQSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H](CCNC(=O)Cc1ncc[nH]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001418432378 906321676 /nfs/dbraw/zinc/32/16/76/906321676.db2.gz XCEJUNBBQYTMLV-MNOVXSKESA-N 2 0 295.387 -0.087 20 0 CBADRP COC[C@@H](O)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001418497024 906369082 /nfs/dbraw/zinc/36/90/82/906369082.db2.gz VXCBJAPJSOXYPC-OLZOCXBDSA-N 2 0 287.404 -0.617 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C[C@@H](O)COC ZINC001418538484 906399872 /nfs/dbraw/zinc/39/98/72/906399872.db2.gz DPXURAFTLZUJQH-OLZOCXBDSA-N 2 0 287.404 -0.474 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001418639962 906432501 /nfs/dbraw/zinc/43/25/01/906432501.db2.gz OWCOQKXBGSGRBM-UTUOFQBUSA-N 2 0 284.404 -0.314 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001418899089 906508355 /nfs/dbraw/zinc/50/83/55/906508355.db2.gz ASSRMDQGLAPMTC-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP C[NH+](C)CC1(C(=O)NCC[C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001418901832 906509526 /nfs/dbraw/zinc/50/95/26/906509526.db2.gz LIFDMFQLQSCEIE-GFCCVEGCSA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001418905454 906510465 /nfs/dbraw/zinc/51/04/65/906510465.db2.gz SCWAUKVVZYRSRT-NEPJUHHUSA-N 2 0 284.404 -0.360 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001418934852 906520960 /nfs/dbraw/zinc/52/09/60/906520960.db2.gz MFABOODNRZANMX-OLZOCXBDSA-N 2 0 296.415 -0.406 20 0 CBADRP CC[C@@H](C(=O)N1CCC(C[N@H+](C)CC(N)=O)CC1)[NH+](C)C ZINC001418949242 906521968 /nfs/dbraw/zinc/52/19/68/906521968.db2.gz XPSRGMFJEPTERZ-ZDUSSCGKSA-N 2 0 298.431 -0.018 20 0 CBADRP CCN(C)C(=O)CN1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001419037114 906571124 /nfs/dbraw/zinc/57/11/24/906571124.db2.gz FCCSASZCWFJQSP-ZDUSSCGKSA-N 2 0 296.415 -0.536 20 0 CBADRP CCCNC(=O)CN1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001419037084 906571373 /nfs/dbraw/zinc/57/13/73/906571373.db2.gz DCCAWBHDPWUDRU-CYBMUJFWSA-N 2 0 296.415 -0.488 20 0 CBADRP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001419093414 906597530 /nfs/dbraw/zinc/59/75/30/906597530.db2.gz DMTMZXCVQBURBZ-CHWSQXEVSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H]1CCNC1=O ZINC001419190770 906634798 /nfs/dbraw/zinc/63/47/98/906634798.db2.gz FMFFRXXYBHWZNG-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@@H]1CCNC1=O ZINC001419214552 906639882 /nfs/dbraw/zinc/63/98/82/906639882.db2.gz DEDBJGBULCUETR-QWHCGFSZSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H]1CCNC1=O ZINC001419218200 906640155 /nfs/dbraw/zinc/64/01/55/906640155.db2.gz GWCYWPQHPVODBR-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@H]1CCNC1=O ZINC001419218202 906641611 /nfs/dbraw/zinc/64/16/11/906641611.db2.gz GWCYWPQHPVODBR-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001419394629 906675975 /nfs/dbraw/zinc/67/59/75/906675975.db2.gz XUFRMNRRYGLEIE-JHJVBQTASA-N 2 0 296.415 -0.158 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(N)=O ZINC001419421193 906682141 /nfs/dbraw/zinc/68/21/41/906682141.db2.gz GBRMOMHPMZVILQ-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001419421160 906683121 /nfs/dbraw/zinc/68/31/21/906683121.db2.gz BUKJPBOCARLDRC-IJLUTSLNSA-N 2 0 282.388 -0.737 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001419498448 906706017 /nfs/dbraw/zinc/70/60/17/906706017.db2.gz UHANCAGGYSLMJB-RFQIPJPRSA-N 2 0 299.415 -0.285 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001419527200 906710732 /nfs/dbraw/zinc/71/07/32/906710732.db2.gz XZXDIURWBHICIB-NSHDSACASA-N 2 0 295.387 -0.228 20 0 CBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001419527197 906711715 /nfs/dbraw/zinc/71/17/15/906711715.db2.gz XZXDIURWBHICIB-LLVKDONJSA-N 2 0 295.387 -0.228 20 0 CBADRP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+][C@@H](C)C(N)=O ZINC001419521327 906712609 /nfs/dbraw/zinc/71/26/09/906712609.db2.gz YRXKHPWEZWKFJA-NEPJUHHUSA-N 2 0 298.431 -0.066 20 0 CBADRP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001419516826 906713088 /nfs/dbraw/zinc/71/30/88/906713088.db2.gz WLTADIXUFQGGIT-CHWSQXEVSA-N 2 0 298.431 -0.194 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001419546668 906718652 /nfs/dbraw/zinc/71/86/52/906718652.db2.gz QZAUTPLXEYXCOG-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001419538304 906718941 /nfs/dbraw/zinc/71/89/41/906718941.db2.gz FPFORSKQNGXTHZ-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001419580290 906735945 /nfs/dbraw/zinc/73/59/45/906735945.db2.gz MRFLETGHVWWCBS-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001419623958 906741819 /nfs/dbraw/zinc/74/18/19/906741819.db2.gz SPDCMOAMANXQQE-UHFFFAOYSA-N 2 0 284.404 -0.168 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001419680287 906765675 /nfs/dbraw/zinc/76/56/75/906765675.db2.gz FSSADUPVGBVBKT-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001419683933 906766045 /nfs/dbraw/zinc/76/60/45/906766045.db2.gz QICHANAOQFQKFZ-PNESKVBLSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCCN(C)C1=O)N(C)C(=O)CC[NH+](C)C ZINC001419702681 906774581 /nfs/dbraw/zinc/77/45/81/906774581.db2.gz CHUOWFCKMUMBCN-CHWSQXEVSA-N 2 0 298.431 -0.005 20 0 CBADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H](C)C(N)=O ZINC001419834243 906828177 /nfs/dbraw/zinc/82/81/77/906828177.db2.gz VYYQTVDQIWOQIX-MNOVXSKESA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H]1CCNC1=O ZINC001419826500 906829076 /nfs/dbraw/zinc/82/90/76/906829076.db2.gz BJZWWCQESDQHSI-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001419848543 906833048 /nfs/dbraw/zinc/83/30/48/906833048.db2.gz JAXOEUWGHUBNKT-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001419843194 906834438 /nfs/dbraw/zinc/83/44/38/906834438.db2.gz SHSIWCWXEZZBAQ-NEPJUHHUSA-N 2 0 294.403 -0.189 20 0 CBADRP CC(C)[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H](C)C(N)=O ZINC001419904177 906853378 /nfs/dbraw/zinc/85/33/78/906853378.db2.gz NMXQOGLHFCZBOO-RYUDHWBXSA-N 2 0 298.431 -0.068 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NC ZINC001419928686 906860560 /nfs/dbraw/zinc/86/05/60/906860560.db2.gz AGAXGJBNXYMRFV-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001419917681 906860643 /nfs/dbraw/zinc/86/06/43/906860643.db2.gz GKUIXWBQMUVCPN-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCN1CCCC1=O ZINC001419928995 906861845 /nfs/dbraw/zinc/86/18/45/906861845.db2.gz VDSHBXGHKQZAJR-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001420016886 906900298 /nfs/dbraw/zinc/90/02/98/906900298.db2.gz IJQIJCLYZADNPX-CHWSQXEVSA-N 2 0 296.415 -0.155 20 0 CBADRP CNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001420085381 906923066 /nfs/dbraw/zinc/92/30/66/906923066.db2.gz NRFCAADQLRMFEB-QWHCGFSZSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CC(N)=O)CC1 ZINC001420112853 906948633 /nfs/dbraw/zinc/94/86/33/906948633.db2.gz IFGKBDHSWSPOTR-RYUDHWBXSA-N 2 0 296.415 -0.312 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)C1 ZINC001420145434 906972859 /nfs/dbraw/zinc/97/28/59/906972859.db2.gz KHQJERIHPMVDPG-ZDUSSCGKSA-N 2 0 296.415 -0.931 20 0 CBADRP C[C@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC(N)=O ZINC001420163304 906979030 /nfs/dbraw/zinc/97/90/30/906979030.db2.gz VLEPIXMXWFTZBX-GFCCVEGCSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[C@H](F)C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001420189357 906999686 /nfs/dbraw/zinc/99/96/86/906999686.db2.gz JAOSDYGOMFGBCH-NWDGAFQWSA-N 2 0 275.368 -0.103 20 0 CBADRP C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)CC[NH+]1CCCCC1 ZINC001420211571 907016976 /nfs/dbraw/zinc/01/69/76/907016976.db2.gz KPTORFZEWUDIMM-STQMWFEESA-N 2 0 287.404 -0.690 20 0 CBADRP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001420336542 907109832 /nfs/dbraw/zinc/10/98/32/907109832.db2.gz BFTJRTAPXJSTEQ-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@H](C(=O)NCC[N@H+](C)CCN1CCCC1=O)[NH+](C)C ZINC001420334691 907110053 /nfs/dbraw/zinc/11/00/53/907110053.db2.gz VQZMIDAUNXUWGS-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C)C(N)=O ZINC001420347031 907113048 /nfs/dbraw/zinc/11/30/48/907113048.db2.gz XWAAEVPJCAMZKB-MXWKQRLJSA-N 2 0 272.393 -0.315 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NC ZINC001420376418 907126734 /nfs/dbraw/zinc/12/67/34/907126734.db2.gz JWGYPFPTPFFRMM-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)[C@@H]1CCCNC1=O ZINC001420445573 907164113 /nfs/dbraw/zinc/16/41/13/907164113.db2.gz XIEVTRQHROFYLQ-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CCN(CC)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420509643 907189083 /nfs/dbraw/zinc/18/90/83/907189083.db2.gz DVOLZKQCBDFTFW-QWHCGFSZSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](C[NH2+]CC(N)=O)NC(=O)CCC[NH+]1CCCC1 ZINC001420516841 907192533 /nfs/dbraw/zinc/19/25/33/907192533.db2.gz LQBXYFNXAQBGES-NSHDSACASA-N 2 0 270.377 -0.558 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001420571879 907220695 /nfs/dbraw/zinc/22/06/95/907220695.db2.gz ZPQJZJREENETPO-RYUDHWBXSA-N 2 0 282.388 -0.748 20 0 CBADRP CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001420562938 907221047 /nfs/dbraw/zinc/22/10/47/907221047.db2.gz IRBIRLXZIALESI-STQMWFEESA-N 2 0 296.415 -0.488 20 0 CBADRP CC[C@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1)[NH+](C)C ZINC001420779302 907298974 /nfs/dbraw/zinc/29/89/74/907298974.db2.gz DQOHALOPMDMXGG-WDEREUQCSA-N 2 0 270.377 -0.704 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001420882632 907334544 /nfs/dbraw/zinc/33/45/44/907334544.db2.gz BZCKRIAQQIDTPA-CHWSQXEVSA-N 2 0 296.415 -0.358 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C(N)=O ZINC001420939942 907364170 /nfs/dbraw/zinc/36/41/70/907364170.db2.gz IOQYPEYTLWQGNT-HBNTYKKESA-N 2 0 282.388 -0.561 20 0 CBADRP C[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001420937961 907367425 /nfs/dbraw/zinc/36/74/25/907367425.db2.gz GKIBGBNJELZMEP-RYUDHWBXSA-N 2 0 284.404 -0.408 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001420952272 907369447 /nfs/dbraw/zinc/36/94/47/907369447.db2.gz WXQJNBZLANWNDG-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001420973903 907383491 /nfs/dbraw/zinc/38/34/91/907383491.db2.gz DXOUCVMNWGOAGS-LLVKDONJSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+][C@H]2CCCNC2=O)CC1 ZINC001421003364 907388003 /nfs/dbraw/zinc/38/80/03/907388003.db2.gz CDKLQQTYFFIIHY-LBPRGKRZSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001421008466 907392511 /nfs/dbraw/zinc/39/25/11/907392511.db2.gz ZLHALEPHDBVTGU-QWRGUYRKSA-N 2 0 282.388 -0.417 20 0 CBADRP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001421121252 907433347 /nfs/dbraw/zinc/43/33/47/907433347.db2.gz POEXRXJSGSCQGN-LBPRGKRZSA-N 2 0 282.388 -0.463 20 0 CBADRP CN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001421125688 907440074 /nfs/dbraw/zinc/44/00/74/907440074.db2.gz LJZFTDHPRSWRNN-QWHCGFSZSA-N 2 0 296.415 -0.393 20 0 CBADRP CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001421257103 907475186 /nfs/dbraw/zinc/47/51/86/907475186.db2.gz VBVYCYXEQOGOSG-IUODEOHRSA-N 2 0 296.415 -0.488 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001421356387 907504293 /nfs/dbraw/zinc/50/42/93/907504293.db2.gz ZHBGFFKCDCJYNA-UKRRQHHQSA-N 2 0 299.415 -0.596 20 0 CBADRP C[N@H+](CC(=O)NC[C@@]1(O)CC[NH+](CCO)C1)C1CCC1 ZINC001421370263 907508456 /nfs/dbraw/zinc/50/84/56/907508456.db2.gz RRYGQZAEHRWUER-AWEZNQCLSA-N 2 0 285.388 -0.984 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CC3CC3)C2)C1 ZINC001421383850 907515514 /nfs/dbraw/zinc/51/55/14/907515514.db2.gz DIEMDDOPPRQIKZ-HIFRSBDPSA-N 2 0 281.400 -0.099 20 0 CBADRP CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001421393336 907522341 /nfs/dbraw/zinc/52/23/41/907522341.db2.gz RZFZELYYXRPEPQ-HIFRSBDPSA-N 2 0 299.415 -0.472 20 0 CBADRP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC(N)=O ZINC001421434919 907547344 /nfs/dbraw/zinc/54/73/44/907547344.db2.gz HNDQETOTIFSWOU-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001502074490 921333831 /nfs/dbraw/zinc/33/38/31/921333831.db2.gz INPYBONLZUGQKN-CHWSQXEVSA-N 2 0 287.404 -0.474 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(=O)NC)C1 ZINC001421548767 907578612 /nfs/dbraw/zinc/57/86/12/907578612.db2.gz DNGHQVMQZOXXDM-QWHCGFSZSA-N 2 0 298.431 -0.242 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1)[NH+](C)C ZINC001421603537 907588099 /nfs/dbraw/zinc/58/80/99/907588099.db2.gz QAPJXYQDFPFROE-SRVKXCTJSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001421708152 907623305 /nfs/dbraw/zinc/62/33/05/907623305.db2.gz RVGLLLPVGOGVES-YNEHKIRRSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1nncn1C ZINC001421765378 907636536 /nfs/dbraw/zinc/63/65/36/907636536.db2.gz FTJGXBRKWMAPJV-VXGBXAGGSA-N 2 0 294.403 -0.391 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001421759606 907637053 /nfs/dbraw/zinc/63/70/53/907637053.db2.gz OMRWNQQAMCJKMM-NEPJUHHUSA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C)C(N)=O ZINC001421757862 907637585 /nfs/dbraw/zinc/63/75/85/907637585.db2.gz WGWBFFDFWVBTHJ-WDEREUQCSA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001421806305 907647584 /nfs/dbraw/zinc/64/75/84/907647584.db2.gz SYNJQOZMBYIRRS-TXEJJXNPSA-N 2 0 296.415 -0.027 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@](CO)([NH2+]CCO)C2)C1 ZINC001421984636 907698930 /nfs/dbraw/zinc/69/89/30/907698930.db2.gz GXHYKKNQMZUALS-ZFWWWQNUSA-N 2 0 299.415 -0.736 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)C1 ZINC001421984613 907699164 /nfs/dbraw/zinc/69/91/64/907699164.db2.gz GXHYKKNQMZUALS-DZGCQCFKSA-N 2 0 299.415 -0.736 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001422029822 907702295 /nfs/dbraw/zinc/70/22/95/907702295.db2.gz MJVHITCFRUOAQF-RYUDHWBXSA-N 2 0 284.404 -0.360 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NC)C1 ZINC001422057662 907709428 /nfs/dbraw/zinc/70/94/28/907709428.db2.gz YBIGZCOJDSZFEA-NEPJUHHUSA-N 2 0 284.404 -0.489 20 0 CBADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC)[C@@H](C)C1 ZINC001422057901 907709929 /nfs/dbraw/zinc/70/99/29/907709929.db2.gz YBIGZCOJDSZFEA-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)CC[NH+](C)C)C(C)C ZINC001422122145 907721577 /nfs/dbraw/zinc/72/15/77/907721577.db2.gz QATIBSDGFLNGJI-LLVKDONJSA-N 2 0 272.393 -0.586 20 0 CBADRP CC[C@H](C(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001502205573 921347568 /nfs/dbraw/zinc/34/75/68/921347568.db2.gz GZELUMCKVNDZHJ-JHJVBQTASA-N 2 0 298.431 -0.101 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001422166125 907733565 /nfs/dbraw/zinc/73/35/65/907733565.db2.gz AMRVYQOUYZZTII-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001422262847 907765095 /nfs/dbraw/zinc/76/50/95/907765095.db2.gz CFUACFLCBORBRK-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001422262852 907767140 /nfs/dbraw/zinc/76/71/40/907767140.db2.gz CFUACFLCBORBRK-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]CC1CCOCC1 ZINC001422341939 907810833 /nfs/dbraw/zinc/81/08/33/907810833.db2.gz CHTYOJIZXWCNKZ-CYBMUJFWSA-N 2 0 287.404 -0.569 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]Cc1cncs1 ZINC001422407754 907843726 /nfs/dbraw/zinc/84/37/26/907843726.db2.gz UWHQIAIXULKGJP-LLVKDONJSA-N 2 0 298.412 -0.194 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001422408473 907846061 /nfs/dbraw/zinc/84/60/61/907846061.db2.gz VFKCWPSEQZSUNC-STQMWFEESA-N 2 0 285.388 -0.815 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001422415839 907850895 /nfs/dbraw/zinc/85/08/95/907850895.db2.gz CQBUQXHXVBMQTO-GHMZBOCLSA-N 2 0 272.393 -0.443 20 0 CBADRP Cc1ncoc1C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC001422427298 907854419 /nfs/dbraw/zinc/85/44/19/907854419.db2.gz SHJGQCPVWNVZQM-LBPRGKRZSA-N 2 0 298.387 -0.110 20 0 CBADRP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001422449177 907864184 /nfs/dbraw/zinc/86/41/84/907864184.db2.gz JQLCFNCCTGVAJN-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)CC[N@H+](C)CC ZINC001422456657 907866199 /nfs/dbraw/zinc/86/61/99/907866199.db2.gz ZJWCTMPNPVABED-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(=O)N(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001422458131 907867448 /nfs/dbraw/zinc/86/74/48/907867448.db2.gz JNIGZSDDYTYADP-OLZOCXBDSA-N 2 0 298.431 -0.147 20 0 CBADRP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001422460490 907867611 /nfs/dbraw/zinc/86/76/11/907867611.db2.gz MRGCQKRLZLJTNC-QWHCGFSZSA-N 2 0 298.431 -0.101 20 0 CBADRP CCN(CC[NH2+][C@@H](C)C(=O)N(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422458133 907869299 /nfs/dbraw/zinc/86/92/99/907869299.db2.gz JNIGZSDDYTYADP-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCCN(C)C1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001422537376 907915270 /nfs/dbraw/zinc/91/52/70/907915270.db2.gz ZDQVBEBWCBXCJZ-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)[C@@H]1CCNC1=O ZINC001422556399 907917638 /nfs/dbraw/zinc/91/76/38/907917638.db2.gz ZKLDBTGKXJBTQC-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)[C@H]1CCNC1=O ZINC001422556390 907919208 /nfs/dbraw/zinc/91/92/08/907919208.db2.gz ZKLDBTGKXJBTQC-NEPJUHHUSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)[N@H+](C)CCO ZINC001422603956 907942741 /nfs/dbraw/zinc/94/27/41/907942741.db2.gz QRAHBHXOSZVZNP-STQMWFEESA-N 2 0 287.404 -0.617 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001422646959 907966235 /nfs/dbraw/zinc/96/62/35/907966235.db2.gz BVLFLALHCKFEOA-WCQYABFASA-N 2 0 296.415 -0.441 20 0 CBADRP CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21)[NH+](C)C ZINC001422837562 908030106 /nfs/dbraw/zinc/03/01/06/908030106.db2.gz IFACEUWIYGEDKO-RVMXOQNASA-N 2 0 296.415 -0.633 20 0 CBADRP C[C@@H](C[N@H+](C)[C@H]1CCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001422889666 908047743 /nfs/dbraw/zinc/04/77/43/908047743.db2.gz VJJWAPNLYDFYTE-RYUDHWBXSA-N 2 0 284.404 -0.395 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001422986884 908070956 /nfs/dbraw/zinc/07/09/56/908070956.db2.gz MSSXIEJFRFRPMJ-CHWSQXEVSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@H](C(=O)N(C)[C@H](C[NH2+]CC(=O)NC)C1CC1)[NH+](C)C ZINC001423010803 908072812 /nfs/dbraw/zinc/07/28/12/908072812.db2.gz WJRIQJUDVBRCPG-CHWSQXEVSA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001423068092 908097488 /nfs/dbraw/zinc/09/74/88/908097488.db2.gz YIXZSAYXTHVZSL-NSHDSACASA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@@H+]1CCCO ZINC001423182738 908136827 /nfs/dbraw/zinc/13/68/27/908136827.db2.gz TZFCLOCNSHBEBM-ZIAGYGMSSA-N 2 0 299.415 -0.472 20 0 CBADRP CC[N@H+](C)CCC(=O)NCC1([NH2+][C@H](C)C(=O)NC)CC1 ZINC001423288232 908191376 /nfs/dbraw/zinc/19/13/76/908191376.db2.gz HUOAZPSCSMTAHA-LLVKDONJSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H]([NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1)C(=O)N(C)C ZINC001423302248 908195983 /nfs/dbraw/zinc/19/59/83/908195983.db2.gz JAFUSDVTPWAESA-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC2CCOCC2)C1 ZINC001423307728 908197648 /nfs/dbraw/zinc/19/76/48/908197648.db2.gz QTZGONKBPYIOIH-ZIAGYGMSSA-N 2 0 299.415 -0.569 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC(=O)N2CCC2)CC1 ZINC001423306667 908199465 /nfs/dbraw/zinc/19/94/65/908199465.db2.gz JEFFWKHPKRDMFN-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001423353593 908210595 /nfs/dbraw/zinc/21/05/95/908210595.db2.gz YXFOGLHPYSFYPY-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001423395554 908217472 /nfs/dbraw/zinc/21/74/72/908217472.db2.gz ZDEVTGXNRXUHRV-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001423451821 908245310 /nfs/dbraw/zinc/24/53/10/908245310.db2.gz MUSKXEBSGXHUNM-CHWSQXEVSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CCCC1 ZINC001423515671 908264869 /nfs/dbraw/zinc/26/48/69/908264869.db2.gz OJECZWHCTXGJDN-CHWSQXEVSA-N 2 0 296.415 -0.170 20 0 CBADRP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)[C@H]1CCCC[NH+]1C ZINC001423522780 908265730 /nfs/dbraw/zinc/26/57/30/908265730.db2.gz XJXJOSGOFLPWTG-QWHCGFSZSA-N 2 0 287.404 -0.786 20 0 CBADRP C[C@H](C(N)=O)[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001423514488 908267082 /nfs/dbraw/zinc/26/70/82/908267082.db2.gz LJVWBKNQHZIEIE-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP CNC(=O)C[NH+]1CCC([C@@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001423654688 908301356 /nfs/dbraw/zinc/30/13/56/908301356.db2.gz XQNCQIZAJGWJPY-GFCCVEGCSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)[C@H](C(=O)N(C)C1CC([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001423683213 908302978 /nfs/dbraw/zinc/30/29/78/908302978.db2.gz SBQGNSBNBVOBEW-GCZXYKMCSA-N 2 0 284.404 -0.363 20 0 CBADRP O=C(NCC1([NH2+]CCO)CCOCC1)C12CC[NH+](CC1)C2 ZINC001423729214 908308767 /nfs/dbraw/zinc/30/87/67/908308767.db2.gz OGRRLDMNVLOEKS-UHFFFAOYSA-N 2 0 297.399 -0.671 20 0 CBADRP COCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001423746952 908319288 /nfs/dbraw/zinc/31/92/88/908319288.db2.gz YBHXIOQCGKHMQC-JSGCOSHPSA-N 2 0 285.388 -0.720 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@@H](C)C(N)=O)C[C@@H]2C1 ZINC001423997517 908379427 /nfs/dbraw/zinc/37/94/27/908379427.db2.gz MLVLLARYUFLWCL-RWMBFGLXSA-N 2 0 296.415 -0.409 20 0 CBADRP C[NH+](C)CCC(=O)N1CC[C@@H](CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001424094295 908407110 /nfs/dbraw/zinc/40/71/10/908407110.db2.gz XKGOIRWDODNGKK-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H]([NH2+]CC[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1)C(N)=O ZINC001424092305 908408042 /nfs/dbraw/zinc/40/80/42/908408042.db2.gz VNCHDAWDNHKGLJ-QWRGUYRKSA-N 2 0 293.371 -0.346 20 0 CBADRP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001424269319 908436474 /nfs/dbraw/zinc/43/64/74/908436474.db2.gz SEGCEEBOWMBWCC-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001424404497 908452976 /nfs/dbraw/zinc/45/29/76/908452976.db2.gz IFODKVWQGKGLEP-CQSZACIVSA-N 2 0 285.388 -0.982 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)C1 ZINC001424408299 908454601 /nfs/dbraw/zinc/45/46/01/908454601.db2.gz IRGSZQSKGHOMLF-DZGCQCFKSA-N 2 0 299.415 -0.736 20 0 CBADRP C[C@@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001424403049 908454738 /nfs/dbraw/zinc/45/47/38/908454738.db2.gz GABHZBJUUQWVTN-UKRRQHHQSA-N 2 0 299.415 -0.594 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+][C@H]1CCNC1=O ZINC001503429590 921411731 /nfs/dbraw/zinc/41/17/31/921411731.db2.gz WGHOTWAQFUKNGD-AVGNSLFASA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001424587767 908476352 /nfs/dbraw/zinc/47/63/52/908476352.db2.gz QZBLUHHRZZOQNN-WDEREUQCSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+][C@@H](C)C(N)=O ZINC001424587571 908476782 /nfs/dbraw/zinc/47/67/82/908476782.db2.gz LVXHJNKDBCTWGF-GARJFASQSA-N 2 0 270.377 -0.561 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NC2(CO)CC[NH+](CCO)CC2)C1 ZINC001424656805 908482750 /nfs/dbraw/zinc/48/27/50/908482750.db2.gz HQBRDZHOJRQBMX-CYBMUJFWSA-N 2 0 299.415 -0.736 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001425225049 908588841 /nfs/dbraw/zinc/58/88/41/908588841.db2.gz CQNVTQBZWNFJHL-STQMWFEESA-N 2 0 298.431 -0.005 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001425394704 908637413 /nfs/dbraw/zinc/63/74/13/908637413.db2.gz TUQHYSNDXATDHG-UMSPYCQHSA-N 2 0 293.371 -0.427 20 0 CBADRP CC(C)[C@@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(N)=O ZINC001425455744 908648870 /nfs/dbraw/zinc/64/88/70/908648870.db2.gz SSJFJJVMHONICA-CYBMUJFWSA-N 2 0 298.431 -0.066 20 0 CBADRP CN(C(=O)CC[NH+](C)C)[C@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001425493937 908658274 /nfs/dbraw/zinc/65/82/74/908658274.db2.gz MPBPERDZGHPINV-CHWSQXEVSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@H](C)C(=O)NC ZINC001425665169 908687162 /nfs/dbraw/zinc/68/71/62/908687162.db2.gz TUNZLJHCKSHAAT-NWDGAFQWSA-N 2 0 286.420 -0.101 20 0 CBADRP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)C(=O)NC ZINC001425665172 908687475 /nfs/dbraw/zinc/68/74/75/908687475.db2.gz TUNZLJHCKSHAAT-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001425678010 908690819 /nfs/dbraw/zinc/69/08/19/908690819.db2.gz CWJCBGMSHVHZTI-CHWSQXEVSA-N 2 0 296.415 -0.393 20 0 CBADRP O=C(NC[C@@H](CO)[NH2+]CCO)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001425751186 908725788 /nfs/dbraw/zinc/72/57/88/908725788.db2.gz IVAPVLIYUJSSOK-GXTWGEPZSA-N 2 0 299.415 -0.548 20 0 CBADRP O=C(NC[C@@H](CO)[NH2+]CC1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001425748385 908726179 /nfs/dbraw/zinc/72/61/79/908726179.db2.gz AVQRYOKWPPRJQY-UONOGXRCSA-N 2 0 281.400 -0.195 20 0 CBADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]CCO)cc1 ZINC001425821772 908750138 /nfs/dbraw/zinc/75/01/38/908750138.db2.gz WVWFQQFLJWFOKE-AWEZNQCLSA-N 2 0 295.383 -0.579 20 0 CBADRP Cn1cnc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC001425826038 908756089 /nfs/dbraw/zinc/75/60/89/908756089.db2.gz SUGLTQLUMFJXLH-UHFFFAOYSA-N 2 0 283.380 -0.228 20 0 CBADRP CC[NH2+][C@H](CO)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001425845299 908762436 /nfs/dbraw/zinc/76/24/36/908762436.db2.gz ALPKOHOUSFXYSB-RYUDHWBXSA-N 2 0 273.377 -0.959 20 0 CBADRP C[C@@H]1[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)C[NH+]1CCCC1 ZINC001425909325 908779984 /nfs/dbraw/zinc/77/99/84/908779984.db2.gz ZSSRLOFBIHLWPJ-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001425954025 908786944 /nfs/dbraw/zinc/78/69/44/908786944.db2.gz MRVABNFMCZFNQU-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001426001890 908801532 /nfs/dbraw/zinc/80/15/32/908801532.db2.gz HWHVTKDSPNYDRR-NEPJUHHUSA-N 2 0 287.404 -0.740 20 0 CBADRP CN(C[C@H](O)C[NH2+]Cc1ccn(C)n1)C(=O)CC[NH+](C)C ZINC001426026957 908806184 /nfs/dbraw/zinc/80/61/84/908806184.db2.gz LIWUQNCQKHHLPB-CYBMUJFWSA-N 2 0 297.403 -0.719 20 0 CBADRP CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001426038816 908809809 /nfs/dbraw/zinc/80/98/09/908809809.db2.gz RNQUHIAPYOKOPL-CYBMUJFWSA-N 2 0 297.403 -0.513 20 0 CBADRP C[C@@H]([NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001426227516 908852281 /nfs/dbraw/zinc/85/22/81/908852281.db2.gz FNDNMWLZHHZXTB-VOMCLLRMSA-N 2 0 296.415 -0.219 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001505682592 921468293 /nfs/dbraw/zinc/46/82/93/921468293.db2.gz UIIPPLQSTUWXLE-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)CC[NH+](C)C ZINC001428809619 909170847 /nfs/dbraw/zinc/17/08/47/909170847.db2.gz YIBHLTBCQVNGAF-LLVKDONJSA-N 2 0 272.393 -0.489 20 0 CBADRP CN(CCNC(=O)CC[NH+](C)C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001431488746 909481674 /nfs/dbraw/zinc/48/16/74/909481674.db2.gz GRZSOAIMQZEHPT-ZDUSSCGKSA-N 2 0 298.431 -0.146 20 0 CBADRP C[NH+](C)CCC(=O)N1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001432302281 909604174 /nfs/dbraw/zinc/60/41/74/909604174.db2.gz VTVDNIMOIDSCNZ-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@@H]1CCCN(C)C1=O ZINC001505992218 921519708 /nfs/dbraw/zinc/51/97/08/921519708.db2.gz AXTGTWRDUNJMDO-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH+](C)CCC(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001506070411 921535189 /nfs/dbraw/zinc/53/51/89/921535189.db2.gz ODRWRGRGWKQXKE-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001436878194 910498784 /nfs/dbraw/zinc/49/87/84/910498784.db2.gz KWMJPMSBEJZFOM-NEPJUHHUSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001436972721 910521442 /nfs/dbraw/zinc/52/14/42/910521442.db2.gz FUISZGHODJXBKY-TUAOUCFPSA-N 2 0 282.388 -0.547 20 0 CBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001436977837 910522255 /nfs/dbraw/zinc/52/22/55/910522255.db2.gz WPIMBTNTMKTERV-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)[NH2+]CCO ZINC001437173119 910575081 /nfs/dbraw/zinc/57/50/81/910575081.db2.gz VVHKOTAIKVUBHR-LLVKDONJSA-N 2 0 289.339 -0.033 20 0 CBADRP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001437198384 910584118 /nfs/dbraw/zinc/58/41/18/910584118.db2.gz BNOXRYFTDUEKFX-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@@H](C)C(N)=O ZINC001437213900 910588681 /nfs/dbraw/zinc/58/86/81/910588681.db2.gz JXSLNRHLTVHNSG-QWRGUYRKSA-N 2 0 284.404 -0.314 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001437249064 910597589 /nfs/dbraw/zinc/59/75/89/910597589.db2.gz OKONACYAVGCBJQ-RYUDHWBXSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H]1CCNC1=O ZINC001437245345 910598948 /nfs/dbraw/zinc/59/89/48/910598948.db2.gz ZUZBBPPUDYVSKH-WDEREUQCSA-N 2 0 280.372 -0.935 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCS(C)(=O)=O ZINC001437260468 910603017 /nfs/dbraw/zinc/60/30/17/910603017.db2.gz LOSCPEWQQKRLRB-QWRGUYRKSA-N 2 0 291.417 -0.923 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001437309095 910610169 /nfs/dbraw/zinc/61/01/69/910610169.db2.gz JEMWTQMDOCBEPL-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001437312968 910612487 /nfs/dbraw/zinc/61/24/87/910612487.db2.gz JHUBISXLNYTFAE-LBPRGKRZSA-N 2 0 284.404 -0.488 20 0 CBADRP C[C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC(N)=O ZINC001437375106 910622656 /nfs/dbraw/zinc/62/26/56/910622656.db2.gz VCZGTCPMIQRTPH-PWSUYJOCSA-N 2 0 282.388 -0.702 20 0 CBADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nncn1C ZINC001437422083 910629192 /nfs/dbraw/zinc/62/91/92/910629192.db2.gz LMWSBAPKZNPUQD-NWDGAFQWSA-N 2 0 294.403 -0.249 20 0 CBADRP COC[C@H](O)C[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001437416503 910630953 /nfs/dbraw/zinc/63/09/53/910630953.db2.gz DNBSRBDBHAICKT-CHWSQXEVSA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001437841992 910767603 /nfs/dbraw/zinc/76/76/03/910767603.db2.gz ICEUQSLMUPWIOO-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C ZINC001437846341 910769124 /nfs/dbraw/zinc/76/91/24/910769124.db2.gz WSRRJFVJMQEADB-GFCCVEGCSA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@@H]([NH2+]CC(N)=O)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001437852304 910773618 /nfs/dbraw/zinc/77/36/18/910773618.db2.gz NJWRFHBYTZMLTA-LLVKDONJSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH+](C)CC(N)=O)C2)CC[N@@H+]1C ZINC001437972240 910783389 /nfs/dbraw/zinc/78/33/89/910783389.db2.gz BBXDZVBNNGYSFO-JHJVBQTASA-N 2 0 296.415 -0.408 20 0 CBADRP CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@H](C)C(N)=O ZINC001438345895 910884391 /nfs/dbraw/zinc/88/43/91/910884391.db2.gz MKARVVXXBKPTMG-MNOVXSKESA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC(=O)NC ZINC001438369153 910887367 /nfs/dbraw/zinc/88/73/67/910887367.db2.gz FYKNSABRQXIWRE-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001438441522 910896895 /nfs/dbraw/zinc/89/68/95/910896895.db2.gz VOFDIYADPCZLNY-XYPYZODXSA-N 2 0 270.377 -0.560 20 0 CBADRP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]CC(N)=O ZINC001438494029 910902811 /nfs/dbraw/zinc/90/28/11/910902811.db2.gz RBUZRIAWADGLBD-JQWIXIFHSA-N 2 0 282.388 -0.845 20 0 CBADRP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001438521379 910912435 /nfs/dbraw/zinc/91/24/35/910912435.db2.gz OOCWMAGWEZQRFP-LBPRGKRZSA-N 2 0 298.431 -0.194 20 0 CBADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@H]1CCNC1=O ZINC001438524469 910914144 /nfs/dbraw/zinc/91/41/44/910914144.db2.gz WCKHZCKONMLDEE-MNOVXSKESA-N 2 0 270.377 -0.832 20 0 CBADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1)C(N)=O ZINC001438588100 910927679 /nfs/dbraw/zinc/92/76/79/910927679.db2.gz JEPDSQOIEIQEOD-NEPJUHHUSA-N 2 0 296.415 -0.027 20 0 CBADRP CC(C)[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC(N)=O ZINC001438805608 910970618 /nfs/dbraw/zinc/97/06/18/910970618.db2.gz LHBQULXXZLOFFA-LBPRGKRZSA-N 2 0 296.415 -0.170 20 0 CBADRP CC(C)[C@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@H]1CCNC1=O ZINC001438815108 910973863 /nfs/dbraw/zinc/97/38/63/910973863.db2.gz VLAQFQOUIVDMJA-STQMWFEESA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(N)=O ZINC001438845490 910978702 /nfs/dbraw/zinc/97/87/02/910978702.db2.gz XPTOLWXEGBJIMW-NSHDSACASA-N 2 0 270.377 -0.702 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001439017444 911058653 /nfs/dbraw/zinc/05/86/53/911058653.db2.gz GBRJYNVOXSVMHV-NEPJUHHUSA-N 2 0 289.420 -0.588 20 0 CBADRP O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001439044334 911072029 /nfs/dbraw/zinc/07/20/29/911072029.db2.gz FFKYSCOPBSSWSX-OLZOCXBDSA-N 2 0 297.399 -0.815 20 0 CBADRP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001439083914 911097146 /nfs/dbraw/zinc/09/71/46/911097146.db2.gz MDXAVIVUWANGJZ-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001439102438 911101883 /nfs/dbraw/zinc/10/18/83/911101883.db2.gz LWOPLDRVHWUIAU-YPMHNXCESA-N 2 0 296.415 -0.299 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC)CC[N@@H+]1C ZINC001439107660 911105213 /nfs/dbraw/zinc/10/52/13/911105213.db2.gz DSWJMINKDNNYBZ-GRYCIOLGSA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001439121070 911112376 /nfs/dbraw/zinc/11/23/76/911112376.db2.gz VAKQXZNUUIIYIN-MNOVXSKESA-N 2 0 282.388 -0.547 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001439138078 911116003 /nfs/dbraw/zinc/11/60/03/911116003.db2.gz BZQMGENUGSHMQY-WOPDTQHZSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439137811 911116590 /nfs/dbraw/zinc/11/65/90/911116590.db2.gz DOBXPPRPXANORK-VXGBXAGGSA-N 2 0 296.415 -0.156 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439141783 911116734 /nfs/dbraw/zinc/11/67/34/911116734.db2.gz DBRYZVFWGRIWTN-MNOVXSKESA-N 2 0 284.404 -0.443 20 0 CBADRP C[C@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001439150897 911120272 /nfs/dbraw/zinc/12/02/72/911120272.db2.gz TYHLADQZMNRHED-MNOVXSKESA-N 2 0 270.377 -0.737 20 0 CBADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001506897911 921636013 /nfs/dbraw/zinc/63/60/13/921636013.db2.gz CQJMLNLMIXXCHS-JOCQHMNTSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001439215134 911143441 /nfs/dbraw/zinc/14/34/41/911143441.db2.gz PUWNRVMXRPFPEM-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001439245623 911153534 /nfs/dbraw/zinc/15/35/34/911153534.db2.gz XFESPMYBEUFISX-CYDGBPFRSA-N 2 0 296.415 -0.301 20 0 CBADRP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001439240882 911155258 /nfs/dbraw/zinc/15/52/58/911155258.db2.gz NOIZIQSXHFLFTC-UBHSHLNASA-N 2 0 299.415 -0.570 20 0 CBADRP CCn1nncc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001439282844 911166810 /nfs/dbraw/zinc/16/68/10/911166810.db2.gz ODFJSHNGRCTCQI-RYUDHWBXSA-N 2 0 294.403 -0.156 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001506906044 921639581 /nfs/dbraw/zinc/63/95/81/921639581.db2.gz NNDRRBSLXUJDMT-MGPQQGTHSA-N 2 0 299.415 -0.569 20 0 CBADRP CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001506907247 921639629 /nfs/dbraw/zinc/63/96/29/921639629.db2.gz ZOUQDHYKRAKQPS-FDYHWXHSSA-N 2 0 296.415 -0.314 20 0 CBADRP CN1CC[C@H]([NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001439471982 911215256 /nfs/dbraw/zinc/21/52/56/911215256.db2.gz NZFYEZXWIFALHJ-QWHCGFSZSA-N 2 0 296.415 -0.347 20 0 CBADRP CC[C@@H]([NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1)C(N)=O ZINC001439490619 911223324 /nfs/dbraw/zinc/22/33/24/911223324.db2.gz DOMXCEAKAXNSDU-OLZOCXBDSA-N 2 0 296.415 -0.170 20 0 CBADRP CNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001506944395 921645209 /nfs/dbraw/zinc/64/52/09/921645209.db2.gz ACQMZAFGJWQAEO-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CCNC(=O)C[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001439639399 911266336 /nfs/dbraw/zinc/26/63/36/911266336.db2.gz BPJYWIWJUJYXGH-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP NC(=O)C[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001439679757 911268410 /nfs/dbraw/zinc/26/84/10/911268410.db2.gz XLGHRVKJNIJTDB-UHFFFAOYSA-N 2 0 282.388 -0.414 20 0 CBADRP C[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001439911330 911311870 /nfs/dbraw/zinc/31/18/70/911311870.db2.gz GZZJEZNZLUADKK-IUODEOHRSA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)(C(=O)NC[C@]1(O)CC[N@H+](CCO)C1)[NH+]1CCCC1 ZINC001440006143 911341235 /nfs/dbraw/zinc/34/12/35/911341235.db2.gz VFHBNQDQRVBXDY-OAHLLOKOSA-N 2 0 299.415 -0.594 20 0 CBADRP O=C(CCC[NH+]1CCCC1)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001440019956 911348868 /nfs/dbraw/zinc/34/88/68/911348868.db2.gz QIMWVIMBDQRXOG-OAHLLOKOSA-N 2 0 299.415 -0.592 20 0 CBADRP C[C@@H](O)CN1CC(O)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001440053971 911369534 /nfs/dbraw/zinc/36/95/34/911369534.db2.gz DWGTVSJSRXWOBH-OLZOCXBDSA-N 2 0 299.415 -0.596 20 0 CBADRP C[C@H](O)CN1CC(O)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001440053974 911369897 /nfs/dbraw/zinc/36/98/97/911369897.db2.gz DWGTVSJSRXWOBH-QWHCGFSZSA-N 2 0 299.415 -0.596 20 0 CBADRP CO[C@H](C)CN1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001440087454 911379969 /nfs/dbraw/zinc/37/99/69/911379969.db2.gz DSNSAVOVEKYAJH-GFCCVEGCSA-N 2 0 297.399 -0.720 20 0 CBADRP C[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001440114002 911388848 /nfs/dbraw/zinc/38/88/48/911388848.db2.gz GNZGMCJYCCSFLI-QWHCGFSZSA-N 2 0 298.431 -0.147 20 0 CBADRP CC1CC[NH+](CC(=O)NCC2([NH2+]CC(N)=O)CCC2)CC1 ZINC001440344674 911432029 /nfs/dbraw/zinc/43/20/29/911432029.db2.gz PYFFUBAJCWZJCK-UHFFFAOYSA-N 2 0 296.415 -0.168 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001440333706 911432568 /nfs/dbraw/zinc/43/25/68/911432568.db2.gz OHMPIJISWHTTMH-UHFFFAOYSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH+](C)CCC(=O)N1CCO[C@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001440372508 911441913 /nfs/dbraw/zinc/44/19/13/911441913.db2.gz HLFZVFRZFIIACS-ZIAGYGMSSA-N 2 0 299.415 -0.208 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001440592807 911480739 /nfs/dbraw/zinc/48/07/39/911480739.db2.gz KAOIZTYEGYDLQB-NEPJUHHUSA-N 2 0 284.404 -0.491 20 0 CBADRP CNC(=O)C[NH2+]CC1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001440750906 911505970 /nfs/dbraw/zinc/50/59/70/911505970.db2.gz FHDWAVDDGNJTNH-YIZWMMSDSA-N 2 0 298.431 -0.197 20 0 CBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001440842517 911530198 /nfs/dbraw/zinc/53/01/98/911530198.db2.gz SAYIHMPXWVMGQT-WDEREUQCSA-N 2 0 272.393 -0.491 20 0 CBADRP CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001440881367 911532437 /nfs/dbraw/zinc/53/24/37/911532437.db2.gz KJKRSOGSXIHAQP-UHFFFAOYSA-N 2 0 298.431 -0.112 20 0 CBADRP COCCN1CC(CCO)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001441047693 911596601 /nfs/dbraw/zinc/59/66/01/911596601.db2.gz UDNRGAXQPCLADW-UHFFFAOYSA-N 2 0 299.415 -0.330 20 0 CBADRP CC[C@H](C(=O)NCCN1CC[NH+](CCO)CC1)[NH+](C)C ZINC001441065845 911601582 /nfs/dbraw/zinc/60/15/82/911601582.db2.gz OSDFNFNCZFHPIT-CYBMUJFWSA-N 2 0 286.420 -0.947 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001441199765 911623043 /nfs/dbraw/zinc/62/30/43/911623043.db2.gz FEKDLLJXYXJYJH-NEPJUHHUSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]CC(=O)N1CCC1)C1CC1 ZINC001441233805 911631783 /nfs/dbraw/zinc/63/17/83/911631783.db2.gz WPRGBYORKLKONZ-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001441365543 911651360 /nfs/dbraw/zinc/65/13/60/911651360.db2.gz USHNAVUFIZQTKX-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)C(N)=O ZINC001441361092 911653214 /nfs/dbraw/zinc/65/32/14/911653214.db2.gz RYQCADVURZJRLS-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001441365539 911653656 /nfs/dbraw/zinc/65/36/56/911653656.db2.gz USHNAVUFIZQTKX-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001441382785 911658133 /nfs/dbraw/zinc/65/81/33/911658133.db2.gz FVCSVXDUMREBCA-SRVKXCTJSA-N 2 0 296.415 -0.029 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001441422425 911665786 /nfs/dbraw/zinc/66/57/86/911665786.db2.gz VRLZBPXMTXTMPM-LPWJVIDDSA-N 2 0 298.431 -0.056 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001441422367 911667239 /nfs/dbraw/zinc/66/72/39/911667239.db2.gz RVDPOJNVYPOOAR-JOCQHMNTSA-N 2 0 296.415 -0.299 20 0 CBADRP CCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001441501099 911686318 /nfs/dbraw/zinc/68/63/18/911686318.db2.gz DATPXTDRJWIJBV-TXEJJXNPSA-N 2 0 284.404 -0.299 20 0 CBADRP CN1CCC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001441509867 911688210 /nfs/dbraw/zinc/68/82/10/911688210.db2.gz WRKHXEXMRYZXIV-XQQFMLRXSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001441502562 911690960 /nfs/dbraw/zinc/69/09/60/911690960.db2.gz GFEMUJGWJRORBF-UTUOFQBUSA-N 2 0 284.404 -0.348 20 0 CBADRP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507125607 921684117 /nfs/dbraw/zinc/68/41/17/921684117.db2.gz ITAUUEXTWSGQFA-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1cnnn1C ZINC001441659635 911730506 /nfs/dbraw/zinc/73/05/06/911730506.db2.gz QHONRHJNGQIZMS-LBPRGKRZSA-N 2 0 294.403 -0.153 20 0 CBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001441771477 911794240 /nfs/dbraw/zinc/79/42/40/911794240.db2.gz WYYVUGVXCLJASJ-QWHCGFSZSA-N 2 0 287.404 -0.692 20 0 CBADRP COC[C@@H](C)[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001441788044 911801426 /nfs/dbraw/zinc/80/14/26/911801426.db2.gz GUYGEULODSGKDP-NEPJUHHUSA-N 2 0 273.377 -0.816 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001507161552 921692691 /nfs/dbraw/zinc/69/26/91/921692691.db2.gz LZPDXGCJJPMDQF-NWDGAFQWSA-N 2 0 286.420 -0.102 20 0 CBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCn1cncn1 ZINC001441837795 911829358 /nfs/dbraw/zinc/82/93/58/911829358.db2.gz FIHKAYRBXMLIGB-GFCCVEGCSA-N 2 0 294.403 -0.143 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001441834510 911831153 /nfs/dbraw/zinc/83/11/53/911831153.db2.gz IYALBBHURLGEQC-AAEUAGOBSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CCC[NH+]1CCCC1 ZINC001441845737 911835668 /nfs/dbraw/zinc/83/56/68/911835668.db2.gz YYGXFXNKXSOQMX-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC(N)=O ZINC001441940445 911857075 /nfs/dbraw/zinc/85/70/75/911857075.db2.gz KHOWSYINFHIPMR-VWYCJHECSA-N 2 0 270.377 -0.704 20 0 CBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@@H](C)C(N)=O ZINC001441937134 911858898 /nfs/dbraw/zinc/85/88/98/911858898.db2.gz KMISLZINEBGNRK-UWVGGRQHSA-N 2 0 270.377 -0.704 20 0 CBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001441939307 911859191 /nfs/dbraw/zinc/85/91/91/911859191.db2.gz SVNNKYHAEZVFQM-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@H]1CCNC1=O ZINC001441947313 911864638 /nfs/dbraw/zinc/86/46/38/911864638.db2.gz UKUUWIPBQLCVKO-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cnnn1C ZINC001441949011 911865468 /nfs/dbraw/zinc/86/54/68/911865468.db2.gz VGHJJWLNKWDSQM-NSHDSACASA-N 2 0 294.403 -0.249 20 0 CBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H]1CCCNC1=O ZINC001442010975 911895899 /nfs/dbraw/zinc/89/58/99/911895899.db2.gz OXBLQOCMIYGRLC-NWDGAFQWSA-N 2 0 294.399 -0.545 20 0 CBADRP COC[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001442034040 911897499 /nfs/dbraw/zinc/89/74/99/911897499.db2.gz GKLIWJWPVDSSFE-QWHCGFSZSA-N 2 0 299.415 -0.474 20 0 CBADRP C[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)[NH2+]CCO ZINC001442044090 911902422 /nfs/dbraw/zinc/90/24/22/911902422.db2.gz FCJGBSRUCSROFA-VXGBXAGGSA-N 2 0 273.377 -0.959 20 0 CBADRP C[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CCO ZINC001442044083 911904760 /nfs/dbraw/zinc/90/47/60/911904760.db2.gz FCJGBSRUCSROFA-NWDGAFQWSA-N 2 0 273.377 -0.959 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001442050286 911907365 /nfs/dbraw/zinc/90/73/65/911907365.db2.gz LVOPXFAPTPUSSW-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CCn1cncn1 ZINC001442066697 911912662 /nfs/dbraw/zinc/91/26/62/911912662.db2.gz OCTOGSWBKSMWIH-GFCCVEGCSA-N 2 0 282.392 -0.287 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001442089676 911930123 /nfs/dbraw/zinc/93/01/23/911930123.db2.gz VRHAYHGZRYGPRV-QWHCGFSZSA-N 2 0 287.404 -0.522 20 0 CBADRP CC[C@@H]([NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001442135073 911937254 /nfs/dbraw/zinc/93/72/54/911937254.db2.gz CMQKHZDIJRVIPT-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001442150439 911938335 /nfs/dbraw/zinc/93/83/35/911938335.db2.gz SHGJXAHVMGCBDM-AVGNSLFASA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@H](CCNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC(N)=O ZINC001442260404 911958855 /nfs/dbraw/zinc/95/88/55/911958855.db2.gz WPRUKVOAQAIJMX-GFCCVEGCSA-N 2 0 296.415 -0.168 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001442298218 911961914 /nfs/dbraw/zinc/96/19/14/911961914.db2.gz VUCXLLHYCYQLEO-NSHDSACASA-N 2 0 284.404 -0.441 20 0 CBADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1cn(C)nn1 ZINC001442289657 911963473 /nfs/dbraw/zinc/96/34/73/911963473.db2.gz OCYLGXMTNVROAP-LLVKDONJSA-N 2 0 282.392 -0.249 20 0 CBADRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cn(C)nn1 ZINC001442338999 911976154 /nfs/dbraw/zinc/97/61/54/911976154.db2.gz OTRIPRXXHUTRSI-GFCCVEGCSA-N 2 0 294.403 -0.105 20 0 CBADRP C[N@H+](CCNC(=O)C1CC1)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001442610220 912062599 /nfs/dbraw/zinc/06/25/99/912062599.db2.gz MLCWAIWXTGFBOB-CYBMUJFWSA-N 2 0 296.415 -0.488 20 0 CBADRP Cn1cncc1CC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001442812316 912108597 /nfs/dbraw/zinc/10/85/97/912108597.db2.gz RGRAABDRIZJVBO-LBPRGKRZSA-N 2 0 280.372 -0.074 20 0 CBADRP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001443076990 912148200 /nfs/dbraw/zinc/14/82/00/912148200.db2.gz LFPDCQLANGYLOO-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001443076998 912148245 /nfs/dbraw/zinc/14/82/45/912148245.db2.gz LFPDCQLANGYLOO-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001443106255 912157338 /nfs/dbraw/zinc/15/73/38/912157338.db2.gz WCYHAZPALPPPRE-LLVKDONJSA-N 2 0 270.377 -0.737 20 0 CBADRP C[C@@H]([NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001443107854 912158889 /nfs/dbraw/zinc/15/88/89/912158889.db2.gz ZIMNCNABPGZJQE-GHMZBOCLSA-N 2 0 270.377 -0.750 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001443221253 912169763 /nfs/dbraw/zinc/16/97/63/912169763.db2.gz QHOBLPAQWRQINO-JHJVBQTASA-N 2 0 296.415 -0.360 20 0 CBADRP CCN1CC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001464653036 914998410 /nfs/dbraw/zinc/99/84/10/914998410.db2.gz JOYFUGDVGYIFDM-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP Cc1c(C(=O)NC[C@@H](CO)[NH2+]CCO)ccc2c[nH+]cn21 ZINC001507212163 921749913 /nfs/dbraw/zinc/74/99/13/921749913.db2.gz RORXNSIHEMHGIQ-NSHDSACASA-N 2 0 292.339 -0.685 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]CCC(F)(F)F ZINC001507231740 921764773 /nfs/dbraw/zinc/76/47/73/921764773.db2.gz JJDRWFYGKHJLPU-VIFPVBQESA-N 2 0 285.310 -0.043 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1CO ZINC001471641833 915607681 /nfs/dbraw/zinc/60/76/81/915607681.db2.gz XMTMHJICMORZOF-QWHCGFSZSA-N 2 0 269.389 -0.006 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)[NH2+]CC2CC2)C1 ZINC001507251352 921783803 /nfs/dbraw/zinc/78/38/03/921783803.db2.gz CLSAJVOTCGBFRH-OLZOCXBDSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001472079770 915687017 /nfs/dbraw/zinc/68/70/17/915687017.db2.gz AZMTXEINPYJCJE-QWHCGFSZSA-N 2 0 297.399 -0.456 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CCOC2CCC2)C1 ZINC001507261413 921792834 /nfs/dbraw/zinc/79/28/34/921792834.db2.gz SBTMXZSQOLVZTG-QWHCGFSZSA-N 2 0 299.415 -0.426 20 0 CBADRP C[C@H](O)C[NH2+][C@H](CO)CNC(=O)CC[NH+]1CCCCC1 ZINC001507265281 921796611 /nfs/dbraw/zinc/79/66/11/921796611.db2.gz QMVAYHCUWXGYEU-STQMWFEESA-N 2 0 287.404 -0.690 20 0 CBADRP CC(C)[N@H+](C)C[C@H](O)CN1C[C@H](CO)[C@@H](CCO)C1 ZINC001473891581 915878362 /nfs/dbraw/zinc/87/83/62/915878362.db2.gz BJPQZVOJLACARD-MJBXVCDLSA-N 2 0 274.405 -0.390 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CNC(=O)C1 ZINC001478817845 916075724 /nfs/dbraw/zinc/07/57/24/916075724.db2.gz BZJHKQTVNNAVJP-LBPRGKRZSA-N 2 0 299.419 -0.743 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001479320883 916117633 /nfs/dbraw/zinc/11/76/33/916117633.db2.gz HQJDWVLEDAJRRV-UPJWGTAASA-N 2 0 296.415 -0.441 20 0 CBADRP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001479476095 916132672 /nfs/dbraw/zinc/13/26/72/916132672.db2.gz WOEPMWGXJXKKED-NWDGAFQWSA-N 2 0 284.404 -0.441 20 0 CBADRP CCN(C)C(=O)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001479761774 916163881 /nfs/dbraw/zinc/16/38/81/916163881.db2.gz KFAIUPMNZJNDRA-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CN1CC[C@H]([N@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001479762698 916164348 /nfs/dbraw/zinc/16/43/48/916164348.db2.gz UYMYKDIFGWBKGL-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@H](C(=O)NCCC[N@H+](C)[C@H](C)C(=O)NC)[NH+](C)C ZINC001479808123 916187273 /nfs/dbraw/zinc/18/72/73/916187273.db2.gz QDSUSRUDRVUPRL-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCCCN2CC[NH+](CCO)CC2)C1 ZINC001479923044 916218693 /nfs/dbraw/zinc/21/86/93/916218693.db2.gz OJVOPNOVOOMICX-AWEZNQCLSA-N 2 0 298.431 -0.946 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001479940965 916226127 /nfs/dbraw/zinc/22/61/27/916226127.db2.gz DMLHQWRMKSIXOI-ZDUSSCGKSA-N 2 0 268.405 -0.308 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCCO)C1)[NH+](C)C ZINC001479968964 916248693 /nfs/dbraw/zinc/24/86/93/916248693.db2.gz LPQAEJQNBRULAC-RYUDHWBXSA-N 2 0 257.378 -0.101 20 0 CBADRP CN(C)C(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001480009683 916258269 /nfs/dbraw/zinc/25/82/69/916258269.db2.gz ZHWOSQLQZVRXLH-QWHCGFSZSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001480061295 916276677 /nfs/dbraw/zinc/27/66/77/916276677.db2.gz HDGNYMBNSXRBRM-NWDGAFQWSA-N 2 0 282.388 -0.832 20 0 CBADRP CC1CC[NH+](CC(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)CC1 ZINC001480055198 916279029 /nfs/dbraw/zinc/27/90/29/916279029.db2.gz LMWYTGCTECAJPO-CYBMUJFWSA-N 2 0 296.415 -0.312 20 0 CBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](C)O)C1)[NH+](C)C ZINC001480157955 916314533 /nfs/dbraw/zinc/31/45/33/916314533.db2.gz DYVYKCBBMHGOIK-KKOKHZNYSA-N 2 0 257.378 -0.056 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001480173335 916315976 /nfs/dbraw/zinc/31/59/76/916315976.db2.gz GANUUIKJTSZJKQ-IJLUTSLNSA-N 2 0 284.404 -0.302 20 0 CBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001480220050 916333022 /nfs/dbraw/zinc/33/30/22/916333022.db2.gz HNHKLZWVIMRSGV-AXFHLTTASA-N 2 0 268.361 -0.937 20 0 CBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001480220622 916334012 /nfs/dbraw/zinc/33/40/12/916334012.db2.gz NZSMUAZBMIPQHV-WCFLWFBJSA-N 2 0 296.415 -0.301 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001480232321 916336516 /nfs/dbraw/zinc/33/65/16/916336516.db2.gz MVKMPDLSROZBSD-TXEJJXNPSA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH+](C)CC1(C(=O)NC2CCC([NH2+]CC(N)=O)CC2)CC1 ZINC001480406622 916372486 /nfs/dbraw/zinc/37/24/86/916372486.db2.gz DJOWJKHGPUIKSB-UHFFFAOYSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCOCCO ZINC001480463797 916427507 /nfs/dbraw/zinc/42/75/07/916427507.db2.gz ZIMYTACKVXKCCW-YNEHKIRRSA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@H]([NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)C(N)=O ZINC001480649057 916509299 /nfs/dbraw/zinc/50/92/99/916509299.db2.gz RUDJDRGXLCUPGR-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCO)C1 ZINC001480700167 916522173 /nfs/dbraw/zinc/52/21/73/916522173.db2.gz DTDGBZGNAKIEEF-VXGBXAGGSA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1nnnn1C ZINC001480789494 916541315 /nfs/dbraw/zinc/54/13/15/916541315.db2.gz GMGPHSAMGZMMTD-QWRGUYRKSA-N 2 0 297.407 -0.293 20 0 CBADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1nnnn1C ZINC001480789493 916542258 /nfs/dbraw/zinc/54/22/58/916542258.db2.gz GMGPHSAMGZMMTD-MNOVXSKESA-N 2 0 297.407 -0.293 20 0 CBADRP C[N@H+](CCO)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480866090 916593259 /nfs/dbraw/zinc/59/32/59/916593259.db2.gz VNVBHIPAEMMCPX-LBPRGKRZSA-N 2 0 255.362 -0.632 20 0 CBADRP C[N@H+](CCCO)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001480934924 916643189 /nfs/dbraw/zinc/64/31/89/916643189.db2.gz IIPJMYXDYFLUGS-LBPRGKRZSA-N 2 0 257.378 -0.241 20 0 CBADRP C[C@@H](O)C[N@H+](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001480947127 916649827 /nfs/dbraw/zinc/64/98/27/916649827.db2.gz JAOFBAABZQODDD-QWHCGFSZSA-N 2 0 287.404 -0.617 20 0 CBADRP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)[C@H]1CCNC1=O ZINC001480983360 916672579 /nfs/dbraw/zinc/67/25/79/916672579.db2.gz YOJONNXZJVHYCB-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001481055580 916699388 /nfs/dbraw/zinc/69/93/88/916699388.db2.gz IUGNGMOCEOGSJU-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001481127407 916730943 /nfs/dbraw/zinc/73/09/43/916730943.db2.gz VDRLKZMQWATGBS-NEPJUHHUSA-N 2 0 284.404 -0.362 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001481228877 916776114 /nfs/dbraw/zinc/77/61/14/916776114.db2.gz KOEZPEGLHRNECM-NEPJUHHUSA-N 2 0 284.404 -0.219 20 0 CBADRP CN(C)C(=O)C[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001481239107 916780646 /nfs/dbraw/zinc/78/06/46/916780646.db2.gz KXVNCJUSPDVDMH-UHFFFAOYSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]CC(=O)N(C)C)CC[N@@H+]1C ZINC001481271755 916798693 /nfs/dbraw/zinc/79/86/93/916798693.db2.gz IQOQLGMLKHYFOD-STQMWFEESA-N 2 0 298.431 -0.147 20 0 CBADRP CN(CC[NH2+]CC(=O)N1CCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481314354 916815600 /nfs/dbraw/zinc/81/56/00/916815600.db2.gz FISDXOLQBBUOFL-LBPRGKRZSA-N 2 0 282.388 -0.782 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC[C@H]2CC[NH+](CCO)C2)C1 ZINC001481464146 916836359 /nfs/dbraw/zinc/83/63/59/916836359.db2.gz IEHOCICNZQXVLK-STQMWFEESA-N 2 0 269.389 -0.241 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[C@H]2CC[NH+](CCO)C2)C1 ZINC001481464145 916840831 /nfs/dbraw/zinc/84/08/31/916840831.db2.gz IEHOCICNZQXVLK-QWHCGFSZSA-N 2 0 269.389 -0.241 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC)[NH2+]CC(N)=O ZINC001481816507 916995715 /nfs/dbraw/zinc/99/57/15/916995715.db2.gz MGPHDLSIVOGONT-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001481849786 917004413 /nfs/dbraw/zinc/00/44/13/917004413.db2.gz FYSQFBKLDGORBQ-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP Cn1nncc1C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001482062782 917038302 /nfs/dbraw/zinc/03/83/02/917038302.db2.gz YJDXNIVYNJKYRL-GFCCVEGCSA-N 2 0 294.403 -0.153 20 0 CBADRP CC(C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@@H](C)C(N)=O ZINC001482551939 917157951 /nfs/dbraw/zinc/15/79/51/917157951.db2.gz ZOQHLXWNDJFGIS-WCQYABFASA-N 2 0 298.431 -0.068 20 0 CBADRP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)C(N)=O ZINC001482554278 917158461 /nfs/dbraw/zinc/15/84/61/917158461.db2.gz KDMJYPTUOSWHMS-MNOVXSKESA-N 2 0 272.393 -0.458 20 0 CBADRP CN(CC[N@H+](C)CCN1CCCC1=O)C(=O)CC[NH+](C)C ZINC001482625454 917188219 /nfs/dbraw/zinc/18/82/19/917188219.db2.gz WNMBZDMZUOLWKF-UHFFFAOYSA-N 2 0 298.431 -0.049 20 0 CBADRP CC(C)[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482730355 917239928 /nfs/dbraw/zinc/23/99/28/917239928.db2.gz XMFWNYFMNWFLQO-OLZOCXBDSA-N 2 0 269.389 -0.197 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC1CC1 ZINC001482758361 917255793 /nfs/dbraw/zinc/25/57/93/917255793.db2.gz ZEXKVTGDBJNTSC-VXGBXAGGSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@H](C(=O)NC[C@@H](O)C[NH2+]CCO)[NH+]1CCCCCC1 ZINC001482774111 917272101 /nfs/dbraw/zinc/27/21/01/917272101.db2.gz HCSGOMSCEZXHAI-OLZOCXBDSA-N 2 0 287.404 -0.690 20 0 CBADRP C[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCO)[NH+]1CCCCCC1 ZINC001482774113 917272186 /nfs/dbraw/zinc/27/21/86/917272186.db2.gz HCSGOMSCEZXHAI-STQMWFEESA-N 2 0 287.404 -0.690 20 0 CBADRP CC(C)OCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482790675 917285372 /nfs/dbraw/zinc/28/53/72/917285372.db2.gz HKFPJXIIZAUVSP-OLZOCXBDSA-N 2 0 287.404 -0.570 20 0 CBADRP CC(C)[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001482792176 917286454 /nfs/dbraw/zinc/28/64/54/917286454.db2.gz GLFWPFYEESZJRG-STQMWFEESA-N 2 0 287.404 -0.570 20 0 CBADRP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]C[C@@H]1CCCOC1 ZINC001482791403 917286755 /nfs/dbraw/zinc/28/67/55/917286755.db2.gz ASVMSPUKFWHXNU-KBPBESRZSA-N 2 0 299.415 -0.425 20 0 CBADRP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482865906 917316455 /nfs/dbraw/zinc/31/64/55/917316455.db2.gz SBQDRDRVKPPNOR-AGIUHOORSA-N 2 0 298.431 -0.053 20 0 CBADRP CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001482893206 917325057 /nfs/dbraw/zinc/32/50/57/917325057.db2.gz ZQOZDWQSISKJTG-GFCCVEGCSA-N 2 0 296.415 -0.297 20 0 CBADRP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001482892367 917325359 /nfs/dbraw/zinc/32/53/59/917325359.db2.gz SQZXKYXYRHUJPB-NEPJUHHUSA-N 2 0 286.420 -0.101 20 0 CBADRP CNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001483013366 917373182 /nfs/dbraw/zinc/37/31/82/917373182.db2.gz ZIVWTZXRGBEWOF-MUBLQREKSA-N 2 0 296.415 -0.133 20 0 CBADRP CNC(=O)C[NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2 ZINC001483031061 917383032 /nfs/dbraw/zinc/38/30/32/917383032.db2.gz ITIDKDQAJKWQKE-IHWYPQMZSA-N 2 0 294.399 -0.377 20 0 CBADRP C[C@H]([NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001483054201 917390751 /nfs/dbraw/zinc/39/07/51/917390751.db2.gz KUNURCVCQVWHAL-BYCRGOAPSA-N 2 0 282.388 -0.536 20 0 CBADRP CN(C)C(=O)C[NH2+]C/C=C\CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001483082723 917403310 /nfs/dbraw/zinc/40/33/10/917403310.db2.gz VQOMZEPWNFWMDM-DSYXLKISSA-N 2 0 296.415 -0.322 20 0 CBADRP CC[C@H]([NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001483093632 917403990 /nfs/dbraw/zinc/40/39/90/917403990.db2.gz SARSTZHDWBVARC-PCAWENJQSA-N 2 0 282.388 -0.392 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+][C@H]1CCN(C)C1=O ZINC001483097182 917407483 /nfs/dbraw/zinc/40/74/83/917407483.db2.gz ITHXRNPCJBVIGF-GFUIURDCSA-N 2 0 296.415 -0.181 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+][C@@H]1CCN(C)C1=O ZINC001483097180 917409929 /nfs/dbraw/zinc/40/99/29/917409929.db2.gz ITHXRNPCJBVIGF-CFHLNLSMSA-N 2 0 296.415 -0.181 20 0 CBADRP C[C@H](C[NH2+]CCS(C)(=O)=O)NC(=O)CC[NH+](C)C ZINC001483163065 917442685 /nfs/dbraw/zinc/44/26/85/917442685.db2.gz WYENUVXHZQNANT-SNVBAGLBSA-N 2 0 279.406 -0.923 20 0 CBADRP C[C@H](C[NH2+]CCOCCO)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001483188969 917457056 /nfs/dbraw/zinc/45/70/56/917457056.db2.gz CUYJQMZSZOVIDW-HIFRSBDPSA-N 2 0 299.415 -0.425 20 0 CBADRP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483184944 917457105 /nfs/dbraw/zinc/45/71/05/917457105.db2.gz XUOZMAAHPPYLGL-LLVKDONJSA-N 2 0 294.399 -0.545 20 0 CBADRP CC(C)N(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483193341 917458279 /nfs/dbraw/zinc/45/82/79/917458279.db2.gz XPHCVWHTNALKHH-OLZOCXBDSA-N 2 0 298.431 -0.101 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001483197700 917461555 /nfs/dbraw/zinc/46/15/55/917461555.db2.gz PAIKYRZBJZYISA-VXGBXAGGSA-N 2 0 286.420 -0.102 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)CCC[NH+](C)C ZINC001483260402 917500761 /nfs/dbraw/zinc/50/07/61/917500761.db2.gz CWYWLLAZSHJPDV-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP Cc1nccn1CC(=O)N[C@@H](C)C[NH2+]C[C@@H](C)O ZINC001483293951 917511664 /nfs/dbraw/zinc/51/16/64/917511664.db2.gz OOLAHDMLWOCIDI-VHSXEESVSA-N 2 0 254.334 -0.333 20 0 CBADRP C[C@H](C[N@H+](C)CCn1cncn1)NC(=O)C[NH+]1CCCC1 ZINC001483420170 917556988 /nfs/dbraw/zinc/55/69/88/917556988.db2.gz MCXHUOBSECGZMM-CYBMUJFWSA-N 2 0 294.403 -0.190 20 0 CBADRP C[C@H]([NH2+]CCCN(C)C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001483488881 917578014 /nfs/dbraw/zinc/57/80/14/917578014.db2.gz ZPQBDLKPHGOAIL-NSHDSACASA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)CC1 ZINC001483582813 917599721 /nfs/dbraw/zinc/59/97/21/917599721.db2.gz DXXPKHPHVAVRSJ-NSHDSACASA-N 2 0 282.388 -0.702 20 0 CBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1CCCO ZINC001483689397 917641217 /nfs/dbraw/zinc/64/12/17/917641217.db2.gz QHUBOOSXTKDUTI-LBPRGKRZSA-N 2 0 257.378 -0.099 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2CCCO)C1 ZINC001483683393 917635900 /nfs/dbraw/zinc/63/59/00/917635900.db2.gz ZJETXOSBMYAHCO-STQMWFEESA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2CCCO)C1 ZINC001483683389 917636866 /nfs/dbraw/zinc/63/68/66/917636866.db2.gz ZJETXOSBMYAHCO-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001483721336 917656748 /nfs/dbraw/zinc/65/67/48/917656748.db2.gz ABJSLQUSVPAZMI-SNVBAGLBSA-N 2 0 268.361 -0.935 20 0 CBADRP CC[C@H](C(=O)NCC1([NH2+][C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC001483746266 917667564 /nfs/dbraw/zinc/66/75/64/917667564.db2.gz LCKAUSCPZVCXFH-VHSXEESVSA-N 2 0 270.377 -0.561 20 0 CBADRP CC[C@H](C(=O)NCC1([NH2+][C@@H](C)C(=O)NC)CC1)[NH+](C)C ZINC001483745582 917668224 /nfs/dbraw/zinc/66/82/24/917668224.db2.gz GAGPFYLXMQBAMS-WDEREUQCSA-N 2 0 284.404 -0.301 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCO)CC2)C1 ZINC001483785202 917682478 /nfs/dbraw/zinc/68/24/78/917682478.db2.gz ZLXIXDZSCSWOIC-NSHDSACASA-N 2 0 255.362 -0.441 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001483795556 917684610 /nfs/dbraw/zinc/68/46/10/917684610.db2.gz WYSOQSSPOQROCD-LLVKDONJSA-N 2 0 284.404 -0.301 20 0 CBADRP C[NH+](C)CCCC(=O)N1CC[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001483847380 917685553 /nfs/dbraw/zinc/68/55/53/917685553.db2.gz ZITUFTBPANVCQG-HNNXBMFYSA-N 2 0 296.415 -0.262 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001483943679 917713819 /nfs/dbraw/zinc/71/38/19/917713819.db2.gz WHHWDOSGWKKRSW-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](CCOCCO)C2)C1 ZINC001484072494 917732658 /nfs/dbraw/zinc/73/26/58/917732658.db2.gz VOQVBYJUVAIYIQ-ZFWWWQNUSA-N 2 0 299.415 -0.472 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001484346079 917832871 /nfs/dbraw/zinc/83/28/71/917832871.db2.gz HWQVGLLHEWSZQM-STQMWFEESA-N 2 0 298.431 -0.099 20 0 CBADRP O=C(N[C@@]1(CO)CCC[N@@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC001484446646 917854160 /nfs/dbraw/zinc/85/41/60/917854160.db2.gz CTRLCQGBKZVWLJ-HNNXBMFYSA-N 2 0 297.399 -0.982 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001484639416 917902722 /nfs/dbraw/zinc/90/27/22/917902722.db2.gz RAOHEQUFYBYMEN-LLVKDONJSA-N 2 0 282.388 -0.416 20 0 CBADRP COCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001484671488 917914193 /nfs/dbraw/zinc/91/41/93/917914193.db2.gz PEAFYFWCAUEFAA-QWHCGFSZSA-N 2 0 285.388 -0.456 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC[C@@](CO)([NH2+]CCF)C1 ZINC001484852607 917948395 /nfs/dbraw/zinc/94/83/95/917948395.db2.gz BFPFEHFQBFQSQQ-CQSZACIVSA-N 2 0 287.379 -0.005 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CCO)CCOCC2)C1 ZINC001484872170 917954381 /nfs/dbraw/zinc/95/43/81/917954381.db2.gz UVWZCARLDQAGAK-GFCCVEGCSA-N 2 0 285.388 -0.815 20 0 CBADRP CN1CC[C@@H]([NH2+]CC2CC(NC(=O)CC[NH+](C)C)C2)C1=O ZINC001485101602 917993674 /nfs/dbraw/zinc/99/36/74/917993674.db2.gz VVSCWPQFJINEMG-WXRRBKDZSA-N 2 0 296.415 -0.347 20 0 CBADRP CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001485159694 918014331 /nfs/dbraw/zinc/01/43/31/918014331.db2.gz ZBVJFBZNXWNRAN-QWRGUYRKSA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)CCO ZINC001485314749 918071765 /nfs/dbraw/zinc/07/17/65/918071765.db2.gz UPKXXKZGLGUDQZ-NSHDSACASA-N 2 0 257.378 -0.101 20 0 CBADRP CC[C@@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001485373129 918101620 /nfs/dbraw/zinc/10/16/20/918101620.db2.gz KQWNGRUZJNUYSO-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001485614753 918153602 /nfs/dbraw/zinc/15/36/02/918153602.db2.gz QSERIHFGNCFIAU-CNDDSTCGSA-N 2 0 255.362 -0.776 20 0 CBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001485701379 918170436 /nfs/dbraw/zinc/17/04/36/918170436.db2.gz JFFJYVQKEIDNIM-XYPYZODXSA-N 2 0 270.377 -0.702 20 0 CBADRP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001485696495 918170578 /nfs/dbraw/zinc/17/05/78/918170578.db2.gz WVWFSJAHAUHZDS-AULYBMBSSA-N 2 0 296.415 -0.441 20 0 CBADRP CNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001485739722 918177671 /nfs/dbraw/zinc/17/76/71/918177671.db2.gz YWTMZIZNDXMTND-CHWSQXEVSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](C)CC(N)=O)CC1 ZINC001485767582 918181367 /nfs/dbraw/zinc/18/13/67/918181367.db2.gz LBAPWAPBVNVAPE-UHFFFAOYSA-N 2 0 284.404 -0.265 20 0 CBADRP C[C@H](CCC[NH2+]CC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485748946 918182764 /nfs/dbraw/zinc/18/27/64/918182764.db2.gz QEVOSOPFTZTPCQ-GHMZBOCLSA-N 2 0 270.377 -0.702 20 0 CBADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001485832418 918198737 /nfs/dbraw/zinc/19/87/37/918198737.db2.gz NIKQXMXQLXDSHI-LBPRGKRZSA-N 2 0 294.399 -0.606 20 0 CBADRP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCn1cncn1 ZINC001485856880 918211665 /nfs/dbraw/zinc/21/16/65/918211665.db2.gz VSRANQIOPIEELR-STQMWFEESA-N 2 0 294.403 -0.191 20 0 CBADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC(=O)NC1CC1 ZINC001485919068 918228869 /nfs/dbraw/zinc/22/88/69/918228869.db2.gz JMKMAWAUQYLBJK-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP CC(C)OCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001485983713 918274642 /nfs/dbraw/zinc/27/46/42/918274642.db2.gz VJFSLFONHKYLGU-QWHCGFSZSA-N 2 0 287.404 -0.428 20 0 CBADRP CO[C@@H](C)C[NH2+][C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001486002361 918295858 /nfs/dbraw/zinc/29/58/58/918295858.db2.gz QHOKZSQBTMQAND-NWDGAFQWSA-N 2 0 287.404 -0.428 20 0 CBADRP COC[C@H](C)[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001486031581 918323357 /nfs/dbraw/zinc/32/33/57/918323357.db2.gz UBJTXZPWLFXFMD-WCQYABFASA-N 2 0 287.404 -0.570 20 0 CBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001486092772 918363889 /nfs/dbraw/zinc/36/38/89/918363889.db2.gz HHWGKLDHFHDIJR-QWHCGFSZSA-N 2 0 298.431 -0.005 20 0 CBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001486086745 918364297 /nfs/dbraw/zinc/36/42/97/918364297.db2.gz ZHVJUUSWAIFBKY-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP C[N@H+](CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001486203612 918380977 /nfs/dbraw/zinc/38/09/77/918380977.db2.gz ZVYKPWOEWSIDGA-NEPJUHHUSA-N 2 0 296.415 -0.170 20 0 CBADRP CCOCC[NH2+]C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001486311927 918423003 /nfs/dbraw/zinc/42/30/03/918423003.db2.gz QLALOXCNWBRCKA-ZDUSSCGKSA-N 2 0 299.415 -0.472 20 0 CBADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]CCOCCO)C1 ZINC001486457732 918467058 /nfs/dbraw/zinc/46/70/58/918467058.db2.gz JKFYZIXHJDZDKF-RUXDESIVSA-N 2 0 299.415 -0.332 20 0 CBADRP CC[C@H](C(=O)N(C)C1CC([NH2+]CCO)C1)[NH+](C)C ZINC001486480581 918472971 /nfs/dbraw/zinc/47/29/71/918472971.db2.gz KORFADMBSMCBJB-HTAVTVPLSA-N 2 0 257.378 -0.102 20 0 CBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001488789952 918765092 /nfs/dbraw/zinc/76/50/92/918765092.db2.gz OFOOUIZAQGVNKF-TXEJJXNPSA-N 2 0 294.399 -0.687 20 0 CBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001488803203 918769825 /nfs/dbraw/zinc/76/98/25/918769825.db2.gz DBBLJZPRCPTCLX-UTUOFQBUSA-N 2 0 284.404 -0.315 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCO)C1 ZINC001488817067 918772171 /nfs/dbraw/zinc/77/21/71/918772171.db2.gz UFDPLIIPFKEPJK-JHJVBQTASA-N 2 0 269.389 -0.053 20 0 CBADRP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC001490164788 918853090 /nfs/dbraw/zinc/85/30/90/918853090.db2.gz NSNGCHDKYFWELX-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC001490164790 918854575 /nfs/dbraw/zinc/85/45/75/918854575.db2.gz NSNGCHDKYFWELX-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH+](CC(=O)NCCC[N@@H+](C)CC(N)=O)C1CCC1 ZINC001490207148 918866412 /nfs/dbraw/zinc/86/64/12/918866412.db2.gz ACEQMQJUGJCHHK-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP CCNC(=O)C[N@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001490270391 918881607 /nfs/dbraw/zinc/88/16/07/918881607.db2.gz MYQXFWXMZCCMAX-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CCCNC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001490280235 918886766 /nfs/dbraw/zinc/88/67/66/918886766.db2.gz VVUZNZYFTAXEAY-CYBMUJFWSA-N 2 0 298.431 -0.098 20 0 CBADRP CNC(=O)C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001490394468 918905950 /nfs/dbraw/zinc/90/59/50/918905950.db2.gz VVNMIKZYLFFRHZ-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001490448041 918909182 /nfs/dbraw/zinc/90/91/82/918909182.db2.gz QDYCCKNUDPXTJT-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)NCCN2CC[NH+](CCO)CC2)C1 ZINC001490504527 918922154 /nfs/dbraw/zinc/92/21/54/918922154.db2.gz AXYWWCYQZYTCHS-CQSZACIVSA-N 2 0 298.431 -0.946 20 0 CBADRP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C2)CCC1 ZINC001490546534 918936835 /nfs/dbraw/zinc/93/68/35/918936835.db2.gz WKVWFENBKJTTAM-CYBMUJFWSA-N 2 0 299.415 -0.330 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH+](C)CC(N)=O)C1 ZINC001490775892 918967994 /nfs/dbraw/zinc/96/79/94/918967994.db2.gz JMXUUNNNAILJPX-ZDUSSCGKSA-N 2 0 298.431 -0.016 20 0 CBADRP COCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001490880232 918983830 /nfs/dbraw/zinc/98/38/30/918983830.db2.gz FGAXBMNEDMDDNG-IJLUTSLNSA-N 2 0 271.361 -0.800 20 0 CBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001491029490 919012124 /nfs/dbraw/zinc/01/21/24/919012124.db2.gz CFITZYRGJAGQBV-FRRDWIJNSA-N 2 0 296.415 -0.156 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001491078992 919023816 /nfs/dbraw/zinc/02/38/16/919023816.db2.gz CQYAKCVHLHIRPG-RTXFEEFZSA-N 2 0 294.399 -0.547 20 0 CBADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001491081141 919024182 /nfs/dbraw/zinc/02/41/82/919024182.db2.gz XMQULFQLFQPFKK-TXEJJXNPSA-N 2 0 282.388 -0.416 20 0 CBADRP CC[C@@H](C(=O)NCCNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001491318652 919114517 /nfs/dbraw/zinc/11/45/17/919114517.db2.gz VHKCZDMSSJFYBV-RYUDHWBXSA-N 2 0 284.404 -0.489 20 0 CBADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCCO ZINC001491580961 919216695 /nfs/dbraw/zinc/21/66/95/919216695.db2.gz YBDUGJXLOVHMRL-NEPJUHHUSA-N 2 0 257.378 -0.195 20 0 CBADRP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001491642006 919245716 /nfs/dbraw/zinc/24/57/16/919245716.db2.gz RZJIUKPJPFTQTP-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CCN1CC[C@H]([NH2+][C@@H](C)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001491674321 919253352 /nfs/dbraw/zinc/25/33/52/919253352.db2.gz NETZDMFGQLYODN-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1)C(=O)NC1CC1 ZINC001491672800 919253860 /nfs/dbraw/zinc/25/38/60/919253860.db2.gz DDNMEHLFMOAAJI-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP C[NH+](C)CCC(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001491710835 919261480 /nfs/dbraw/zinc/26/14/80/919261480.db2.gz CVLFMXAZXXAIFA-GFCCVEGCSA-N 2 0 284.404 -0.488 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CCOCCO)C2)C1 ZINC001491771123 919271902 /nfs/dbraw/zinc/27/19/02/919271902.db2.gz UHRUCLTVODJEQD-STQMWFEESA-N 2 0 285.388 -0.863 20 0 CBADRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCNC1=O ZINC001492127926 919325376 /nfs/dbraw/zinc/32/53/76/919325376.db2.gz HODCCTBCYWRDAD-NEPJUHHUSA-N 2 0 282.388 -0.545 20 0 CBADRP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CCn1cncn1 ZINC001492214885 919353361 /nfs/dbraw/zinc/35/33/61/919353361.db2.gz FDXRGAKGQVBZMT-LBPRGKRZSA-N 2 0 280.376 -0.580 20 0 CBADRP CC[N@H+](CCNC(=O)C1(C[NH+](C)C)CC1)[C@H]1CCNC1=O ZINC001493012732 919469206 /nfs/dbraw/zinc/46/92/06/919469206.db2.gz UIKOHTVUSUTPGI-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001493059062 919474989 /nfs/dbraw/zinc/47/49/89/919474989.db2.gz VEAFKGPVFIGGBQ-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001493236932 919507366 /nfs/dbraw/zinc/50/73/66/919507366.db2.gz OCQVLQCIEOERMP-OLZOCXBDSA-N 2 0 296.415 -0.488 20 0 CBADRP CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001493549298 919577021 /nfs/dbraw/zinc/57/70/21/919577021.db2.gz FSZYURPCDYEOQF-ZDUSSCGKSA-N 2 0 296.415 -0.488 20 0 CBADRP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)C12CCC[NH+]1CCC2 ZINC001493613130 919590459 /nfs/dbraw/zinc/59/04/59/919590459.db2.gz MIUIGKZXPNFDGW-LBPRGKRZSA-N 2 0 294.399 -0.449 20 0 CBADRP C[C@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001493681236 919604275 /nfs/dbraw/zinc/60/42/75/919604275.db2.gz FTCKPNMWKKUYQQ-NSHDSACASA-N 2 0 272.393 -0.537 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC(=O)NC2CC2)C1 ZINC001493695804 919609456 /nfs/dbraw/zinc/60/94/56/919609456.db2.gz WFSLUDYIQNDEDN-GFCCVEGCSA-N 2 0 296.415 -0.345 20 0 CBADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001493806843 919625973 /nfs/dbraw/zinc/62/59/73/919625973.db2.gz PZVILYNZTYIMCW-SNVBAGLBSA-N 2 0 258.366 -0.752 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001494121726 919657446 /nfs/dbraw/zinc/65/74/46/919657446.db2.gz GWLXXPDVPBGOFE-NEPJUHHUSA-N 2 0 282.388 -0.654 20 0 CBADRP C[N@@H+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001494141536 919662963 /nfs/dbraw/zinc/66/29/63/919662963.db2.gz NFKKJLKFPXUDDG-STQMWFEESA-N 2 0 296.415 -0.264 20 0 CBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC1C[NH+](CCO)C1 ZINC001494557064 919734943 /nfs/dbraw/zinc/73/49/43/919734943.db2.gz DGHFQCVLLOJKRF-LBPRGKRZSA-N 2 0 275.368 -0.293 20 0 CBADRP O=C(C[NH+]1CCCC1)NCC1C[NH+](CCCO)C1 ZINC001494625923 919753627 /nfs/dbraw/zinc/75/36/27/919753627.db2.gz QMVPSHSRSJLLSX-UHFFFAOYSA-N 2 0 255.362 -0.487 20 0 CBADRP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001494849142 919805606 /nfs/dbraw/zinc/80/56/06/919805606.db2.gz WMIWBKCUASFHQT-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC(=O)NC ZINC001494981745 919832010 /nfs/dbraw/zinc/83/20/10/919832010.db2.gz SOVTUGDQZOTNRO-CHWSQXEVSA-N 2 0 296.415 -0.441 20 0 CBADRP CCCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001495106982 919863580 /nfs/dbraw/zinc/86/35/80/919863580.db2.gz JKCQABIWGSYFIW-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001495542240 919900371 /nfs/dbraw/zinc/90/03/71/919900371.db2.gz IGFLFHUJFIKPPS-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCO ZINC001495548978 919900467 /nfs/dbraw/zinc/90/04/67/919900467.db2.gz PGAMQTMTWATZIB-VXGBXAGGSA-N 2 0 255.362 -0.347 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC2CC[NH+](CC(N)=O)CC2)C1 ZINC001495541575 919902806 /nfs/dbraw/zinc/90/28/06/919902806.db2.gz ZPJPSYRRGZMGFS-CYBMUJFWSA-N 2 0 296.415 -0.358 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001495783608 919940704 /nfs/dbraw/zinc/94/07/04/919940704.db2.gz BHHSRTOGWOHFDU-VXGBXAGGSA-N 2 0 296.415 -0.441 20 0 CBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001495816254 919954599 /nfs/dbraw/zinc/95/45/99/919954599.db2.gz SDXCBHHAYCKMCD-CYBMUJFWSA-N 2 0 298.431 -0.099 20 0 CBADRP CCC[N@H+](C)CC(=O)N(C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001495912136 919985486 /nfs/dbraw/zinc/98/54/86/919985486.db2.gz SWVBQVWINDVOLO-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001496149916 920034792 /nfs/dbraw/zinc/03/47/92/920034792.db2.gz OXKJGVIBHGMJQL-JTQLQIEISA-N 2 0 258.366 -0.879 20 0 CBADRP C[C@@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001496230045 920047885 /nfs/dbraw/zinc/04/78/85/920047885.db2.gz PFTGMFKNWSZZIW-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CCC(=O)N1CCC(CC[N@H+](C)CC(N)=O)CC1 ZINC001496509679 920079286 /nfs/dbraw/zinc/07/92/86/920079286.db2.gz XAKUZRSEGYNILS-UHFFFAOYSA-N 2 0 298.431 -0.016 20 0 CBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001496560894 920087277 /nfs/dbraw/zinc/08/72/77/920087277.db2.gz FFGZVEYVDWUXHC-LBPRGKRZSA-N 2 0 298.431 -0.053 20 0 CBADRP CN(CC[N@H+](C)CCn1cncn1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001496835005 920140791 /nfs/dbraw/zinc/14/07/91/920140791.db2.gz CPNWENAGXKFGIU-ZDUSSCGKSA-N 2 0 294.403 -0.380 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCCF ZINC001497001007 920199750 /nfs/dbraw/zinc/19/97/50/920199750.db2.gz GJBHQUBZTQXGLD-NEPJUHHUSA-N 2 0 275.368 -0.103 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCCF ZINC001497001008 920202666 /nfs/dbraw/zinc/20/26/66/920202666.db2.gz GJBHQUBZTQXGLD-NWDGAFQWSA-N 2 0 275.368 -0.103 20 0 CBADRP CO[C@H](C)C[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001497045505 920223431 /nfs/dbraw/zinc/22/34/31/920223431.db2.gz FAYMOBQQQNJDBS-YPMHNXCESA-N 2 0 287.404 -0.570 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CC2CC2)C1 ZINC001497053736 920230445 /nfs/dbraw/zinc/23/04/45/920230445.db2.gz LBJXXDPCQBEGGX-AAEUAGOBSA-N 2 0 269.389 -0.195 20 0 CBADRP C[C@@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001497207545 920269381 /nfs/dbraw/zinc/26/93/81/920269381.db2.gz YUTYXZZLGIEFBT-QWRGUYRKSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H]([NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001497207547 920271589 /nfs/dbraw/zinc/27/15/89/920271589.db2.gz YUTYXZZLGIEFBT-WDEREUQCSA-N 2 0 284.404 -0.171 20 0 CBADRP CC[C@H]([NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCCC1)C(N)=O ZINC001497321835 920280328 /nfs/dbraw/zinc/28/03/28/920280328.db2.gz GXOKNSMELZEDBB-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](CC[NH2+]CC(=O)N1CCC1)NC(=O)C[NH+]1CCCC1 ZINC001497324903 920284171 /nfs/dbraw/zinc/28/41/71/920284171.db2.gz XCSHGXWLEFIKDL-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP CCN(CC[NH2+]CC(=O)N(C)C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497383131 920297818 /nfs/dbraw/zinc/29/78/18/920297818.db2.gz GEXGSSDGLJQUSP-CHWSQXEVSA-N 2 0 298.431 -0.147 20 0 CBADRP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497484035 920312763 /nfs/dbraw/zinc/31/27/63/920312763.db2.gz HKSDNLRWFUZONW-OLZOCXBDSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001497651657 920363107 /nfs/dbraw/zinc/36/31/07/920363107.db2.gz XRILXXVNWKLTCD-XLMCQVRKSA-N 2 0 282.388 -0.523 20 0 CBADRP CCN1CC[C@H]([NH2+]C/C=C\CNC(=O)CC[NH+](C)C)C1=O ZINC001497676305 920366437 /nfs/dbraw/zinc/36/64/37/920366437.db2.gz XNIXNYGAFJGVFJ-SZZPACECSA-N 2 0 296.415 -0.179 20 0 CBADRP C[NH+](C)CCC(=O)NC/C=C/C[NH2+][C@@H]1CCCNC1=O ZINC001497676469 920366577 /nfs/dbraw/zinc/36/65/77/920366577.db2.gz YZIINZJMYOOTFS-AAOUONPWSA-N 2 0 282.388 -0.521 20 0 CBADRP CNC(=O)C[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001497675008 920368219 /nfs/dbraw/zinc/36/82/19/920368219.db2.gz MNMPTJLQBZISKI-ONEGZZNKSA-N 2 0 282.388 -0.664 20 0 CBADRP C[C@@H](C[NH2+]CCn1cncn1)NC(=O)C1CC[NH+](C)CC1 ZINC001498106869 920483083 /nfs/dbraw/zinc/48/30/83/920483083.db2.gz XUUHQSHNEXUJHM-LBPRGKRZSA-N 2 0 294.403 -0.286 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001498391769 920571677 /nfs/dbraw/zinc/57/16/77/920571677.db2.gz WCCGSWDSVIOAQE-UHFFFAOYSA-N 2 0 284.404 -0.393 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001498525968 920602587 /nfs/dbraw/zinc/60/25/87/920602587.db2.gz IFVPHALTRPRPKJ-STQMWFEESA-N 2 0 287.404 -0.474 20 0 CBADRP COC[C@@H](O)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001498525967 920603690 /nfs/dbraw/zinc/60/36/90/920603690.db2.gz IFVPHALTRPRPKJ-QWHCGFSZSA-N 2 0 287.404 -0.474 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC(N)=O ZINC001498556203 920608543 /nfs/dbraw/zinc/60/85/43/920608543.db2.gz KKXJLIRFLAEGKV-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP CN(CCC[NH2+]CC(N)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001498641720 920622021 /nfs/dbraw/zinc/62/20/21/920622021.db2.gz NLCPVLGXOVKLDU-UHFFFAOYSA-N 2 0 268.361 -0.994 20 0 CBADRP C[C@@H]([NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1)C(N)=O ZINC001498817021 920644778 /nfs/dbraw/zinc/64/47/78/920644778.db2.gz JMXCQVQCNVTKNE-MFKMUULPSA-N 2 0 296.415 -0.314 20 0 CBADRP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC(=O)NC ZINC001498898632 920653015 /nfs/dbraw/zinc/65/30/15/920653015.db2.gz NXIUGEHTCVFRPH-CHWSQXEVSA-N 2 0 298.431 -0.099 20 0 CBADRP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001499352055 920738684 /nfs/dbraw/zinc/73/86/84/920738684.db2.gz IZFDINMDWNKYDW-RYUDHWBXSA-N 2 0 296.415 -0.299 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]C[C@H](C)O)CC1 ZINC001499427427 920747749 /nfs/dbraw/zinc/74/77/49/920747749.db2.gz ZWLUXZKXPGHDSJ-NSHDSACASA-N 2 0 257.378 -0.053 20 0 CBADRP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001499843153 920773612 /nfs/dbraw/zinc/77/36/12/920773612.db2.gz FQEMMTJDTIKAAC-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCO ZINC001499916438 920784801 /nfs/dbraw/zinc/78/48/01/920784801.db2.gz PGAMQTMTWATZIB-NWDGAFQWSA-N 2 0 255.362 -0.347 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001500765691 920876439 /nfs/dbraw/zinc/87/64/39/920876439.db2.gz FTDDMXFIJHSUHU-HIFRSBDPSA-N 2 0 299.415 -0.594 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001500765692 920878743 /nfs/dbraw/zinc/87/87/43/920878743.db2.gz FTDDMXFIJHSUHU-UKRRQHHQSA-N 2 0 299.415 -0.594 20 0 CBADRP CCOCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001500763241 920880334 /nfs/dbraw/zinc/88/03/34/920880334.db2.gz UCAIOBQLRONHEG-UKRRQHHQSA-N 2 0 299.415 -0.472 20 0 CBADRP CCOCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001500763239 920881812 /nfs/dbraw/zinc/88/18/12/920881812.db2.gz UCAIOBQLRONHEG-DZGCQCFKSA-N 2 0 299.415 -0.472 20 0 CBADRP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001501051087 920941099 /nfs/dbraw/zinc/94/10/99/920941099.db2.gz RHAZTOSBRLUQJQ-NWDGAFQWSA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001501084379 920947758 /nfs/dbraw/zinc/94/77/58/920947758.db2.gz UTIZQMUUFGZJMA-VXGBXAGGSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CC(N)=O ZINC001501136023 920952825 /nfs/dbraw/zinc/95/28/25/920952825.db2.gz OLPNZGJYYHWYCP-QWRGUYRKSA-N 2 0 270.377 -0.893 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CC[NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001501568592 921039450 /nfs/dbraw/zinc/03/94/50/921039450.db2.gz NAYBCDFXUVBXIU-JHJVBQTASA-N 2 0 296.415 -0.360 20 0 CBADRP CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001507484494 921847167 /nfs/dbraw/zinc/84/71/67/921847167.db2.gz DMAOWYNVOLUBJW-LBPRGKRZSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001507490221 921850469 /nfs/dbraw/zinc/85/04/69/921850469.db2.gz PXNFBTWJQKDURR-CHWSQXEVSA-N 2 0 299.415 -0.596 20 0 CBADRP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C[C@H]1COCC[NH2+]1 ZINC001514531133 922201901 /nfs/dbraw/zinc/20/19/01/922201901.db2.gz OSHYWWZITXNKPP-NTZNESFSSA-N 2 0 253.346 -0.295 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)CN1CCC(CO)CC1 ZINC001514603927 922209498 /nfs/dbraw/zinc/20/94/98/922209498.db2.gz JUYOJNJTNQVMJQ-LBPRGKRZSA-N 2 0 255.362 -0.489 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC001514598703 922210595 /nfs/dbraw/zinc/21/05/95/922210595.db2.gz ZZHJSEVXJHNUFC-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(CC1CC[NH2+]CC1)C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001515496291 922234521 /nfs/dbraw/zinc/23/45/21/922234521.db2.gz JCUDRLPWGVJGNZ-CQSZACIVSA-N 2 0 269.389 -0.051 20 0 CBADRP [NH3+][C@H](Cc1ccccn1)C(=O)N[C@@H]1C[NH2+]CC12CC2 ZINC001515708583 922240761 /nfs/dbraw/zinc/24/07/61/922240761.db2.gz PXKLRBBMXYPPBO-VXGBXAGGSA-N 2 0 260.341 -0.180 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001520421399 922308128 /nfs/dbraw/zinc/30/81/28/922308128.db2.gz BAWSYUDUKARHFX-AAEUAGOBSA-N 2 0 255.362 -0.394 20 0 CBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCC[NH+](C)C ZINC001520729531 922317854 /nfs/dbraw/zinc/31/78/54/922317854.db2.gz SEEZPULOUWBGOU-NWDGAFQWSA-N 2 0 254.378 -0.557 20 0 CBADRP [NH3+]C1(CNC(=O)[C@H]2[NH2+]CC23CCOCC3)CCC1 ZINC001521195078 922341087 /nfs/dbraw/zinc/34/10/87/922341087.db2.gz OFCBUALTRVMETM-SNVBAGLBSA-N 2 0 253.346 -0.247 20 0 CBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCC[NH+]1CCCC1 ZINC001521414671 922354279 /nfs/dbraw/zinc/35/42/79/922354279.db2.gz MQAZRHWDRLDISV-VXGBXAGGSA-N 2 0 257.378 -0.195 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)C1CC1 ZINC001521469857 922357370 /nfs/dbraw/zinc/35/73/70/922357370.db2.gz LGXLOXOLYKSSOB-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001521455728 922358115 /nfs/dbraw/zinc/35/81/15/922358115.db2.gz YWQXYKYTRJYKGK-AAEUAGOBSA-N 2 0 257.378 -0.053 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001521494921 922360201 /nfs/dbraw/zinc/36/02/01/922360201.db2.gz AFOGOSMWVIRYET-AVGNSLFASA-N 2 0 267.373 -0.238 20 0 CBADRP C[NH2+]C1CC(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC001521503169 922360484 /nfs/dbraw/zinc/36/04/84/922360484.db2.gz DJRVGYORMTWQET-PNESKVBLSA-N 2 0 268.405 -0.264 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)CC1 ZINC001521504005 922361838 /nfs/dbraw/zinc/36/18/38/922361838.db2.gz MODFWSQYOXATRU-RQJABVFESA-N 2 0 280.416 -0.277 20 0 CBADRP [NH3+]CCNCC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC001521482859 922362270 /nfs/dbraw/zinc/36/22/70/922362270.db2.gz WXSLEKANZBRKRT-UHFFFAOYSA-N 2 0 284.404 -0.895 20 0 CBADRP C[NH2+]C1(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CCC1 ZINC001521503976 922363014 /nfs/dbraw/zinc/36/30/14/922363014.db2.gz LYQBFPQQIGITAN-LBPRGKRZSA-N 2 0 268.405 -0.119 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001521527830 922363908 /nfs/dbraw/zinc/36/39/08/922363908.db2.gz VOAFZCUCRRCIHB-NSHDSACASA-N 2 0 255.362 -0.312 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001521526732 922365402 /nfs/dbraw/zinc/36/54/02/922365402.db2.gz HCVJNHDRJBJDLX-LOWVWBTDSA-N 2 0 255.362 -0.300 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1=O ZINC001521519139 922366179 /nfs/dbraw/zinc/36/61/79/922366179.db2.gz OHPDRYSTENXFQI-WFASDCNBSA-N 2 0 294.399 -0.604 20 0 CBADRP [NH3+]CC1(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC(O)C1 ZINC001521513794 922367297 /nfs/dbraw/zinc/36/72/97/922367297.db2.gz YAZRIACZPHIGIO-CKXPHIRYSA-N 2 0 267.373 -0.328 20 0 CBADRP C[C@@H]1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC001521697150 922374942 /nfs/dbraw/zinc/37/49/42/922374942.db2.gz HMNXIDVHXLGQAM-YRGRVCCFSA-N 2 0 269.389 -0.066 20 0 CBADRP O=C(NCC1(O)C[NH2+]C1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001521918575 922389925 /nfs/dbraw/zinc/38/99/25/922389925.db2.gz MAVRACXLEDGFOX-WDEREUQCSA-N 2 0 253.346 -0.927 20 0 CBADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001521976083 922393027 /nfs/dbraw/zinc/39/30/27/922393027.db2.gz VHNPCYXZPMBMTN-HBNTYKKESA-N 2 0 255.362 -0.003 20 0 CBADRP CC1CC[NH+](CC(=O)N[C@H]2COC3(C[NH2+]C3)C2)CC1 ZINC001521976789 922393834 /nfs/dbraw/zinc/39/38/34/922393834.db2.gz WXYAVEAJTJXYRU-GFCCVEGCSA-N 2 0 267.373 -0.035 20 0 CBADRP CC1CC[NH+](CC(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CC1 ZINC001521976796 922393865 /nfs/dbraw/zinc/39/38/65/922393865.db2.gz WXYAVEAJTJXYRU-LBPRGKRZSA-N 2 0 267.373 -0.035 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001522250085 922402968 /nfs/dbraw/zinc/40/29/68/922402968.db2.gz NUNMLNFMWKBAGG-HBNTYKKESA-N 2 0 253.346 -0.378 20 0 CBADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001522311781 922406404 /nfs/dbraw/zinc/40/64/04/922406404.db2.gz NQDUBRCGQSBTMJ-CWSCBRNRSA-N 2 0 268.361 -0.255 20 0 CBADRP [NH3+]C[C@H](O)CC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC001522404895 922410509 /nfs/dbraw/zinc/41/05/09/922410509.db2.gz CXSXKSFGAAUNIT-XLPZGREQSA-N 2 0 269.267 -0.708 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)C1=O ZINC001522405549 922410630 /nfs/dbraw/zinc/41/06/30/922410630.db2.gz IJQMOBHSEHFGOS-LALPHHSUSA-N 2 0 294.399 -0.416 20 0 CBADRP COC[C@H]([NH3+])C(=O)N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001522432214 922415638 /nfs/dbraw/zinc/41/56/38/922415638.db2.gz SNTRSOVPHKQHQY-VPOLOUISSA-N 2 0 255.362 -0.147 20 0 CBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCCN1CCC([NH3+])CC1 ZINC001522639071 922494889 /nfs/dbraw/zinc/49/48/89/922494889.db2.gz JGDWCKRQHXHSSL-NEPJUHHUSA-N 2 0 268.405 -0.101 20 0 CBADRP [NH3+]Cc1ccc(C(=O)NCCN2CCC([NH3+])CC2)o1 ZINC001522641152 922497162 /nfs/dbraw/zinc/49/71/62/922497162.db2.gz XRSOJPUXLZGZTO-UHFFFAOYSA-N 2 0 266.345 -0.109 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC001522641084 922497835 /nfs/dbraw/zinc/49/78/35/922497835.db2.gz WWLGLOLDBUEYRB-LBPRGKRZSA-N 2 0 268.405 -0.085 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C[C@@]2(O)CCC[NH2+]C2)CC[N@@H+]1C ZINC001522857766 922538641 /nfs/dbraw/zinc/53/86/41/922538641.db2.gz NQURUGPCUTYLLR-WZRBSPASSA-N 2 0 255.362 -0.300 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)=NO1 ZINC001522912425 922547821 /nfs/dbraw/zinc/54/78/21/922547821.db2.gz PMTMZTXBXZOJSK-UFGOTCBOSA-N 2 0 266.345 -0.262 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001522931536 922548318 /nfs/dbraw/zinc/54/83/18/922548318.db2.gz OCOUAMRMKPSPTR-ZDUSSCGKSA-N 2 0 286.420 -0.458 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001522931534 922549464 /nfs/dbraw/zinc/54/94/64/922549464.db2.gz OCOUAMRMKPSPTR-CYBMUJFWSA-N 2 0 286.420 -0.458 20 0 CBADRP CC[C@]1(C(=O)N2CCC[C@@]([NH3+])(CO)C2)CCC[NH2+]1 ZINC001523010704 922562194 /nfs/dbraw/zinc/56/21/94/922562194.db2.gz WJFACILTLSJJIK-QWHCGFSZSA-N 2 0 255.362 -0.169 20 0 CBADRP [NH3+]CC1(C(=O)N2CCC[C@]([NH3+])(CO)C2)CCCC1 ZINC001523017917 922562572 /nfs/dbraw/zinc/56/25/72/922562572.db2.gz AGILYBOLHFWKGD-CYBMUJFWSA-N 2 0 255.362 -0.182 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001523066078 922568682 /nfs/dbraw/zinc/56/86/82/922568682.db2.gz DTZXFGCQNWPWIT-XQQFMLRXSA-N 2 0 267.373 -0.177 20 0 CBADRP [NH3+]C1(CNC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001523361690 922585597 /nfs/dbraw/zinc/58/55/97/922585597.db2.gz TYDUHAUGPOOUTP-UHFFFAOYSA-N 2 0 252.318 -0.508 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001524029225 922614105 /nfs/dbraw/zinc/61/41/05/922614105.db2.gz KDLKGHGLGJHMFG-TUAOUCFPSA-N 2 0 256.394 -0.280 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[C@H]1C[NH2+]CCO1)C2 ZINC001523551757 922596151 /nfs/dbraw/zinc/59/61/51/922596151.db2.gz UZRXLRYGOZXPMB-USZNOCQGSA-N 2 0 253.346 -0.297 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)C1CC[NH+](C)CC1 ZINC001523581497 922602026 /nfs/dbraw/zinc/60/20/26/922602026.db2.gz QIXOUWPCPQRMCK-GFCCVEGCSA-N 2 0 255.362 -0.225 20 0 CBADRP [NH3+][C@@H]1C[C@@H](NC(=O)C[C@H]2C[NH2+]CCO2)C12CCC2 ZINC001523605992 922602057 /nfs/dbraw/zinc/60/20/57/922602057.db2.gz RBHSKUPAUMTDBF-HBNTYKKESA-N 2 0 253.346 -0.249 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@@H]1CC[NH+](C)C1 ZINC001527473544 922755093 /nfs/dbraw/zinc/75/50/93/922755093.db2.gz GLMLGSQHINFAME-FRRDWIJNSA-N 2 0 266.389 -0.557 20 0 CBADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C ZINC001527708789 922767026 /nfs/dbraw/zinc/76/70/26/922767026.db2.gz ZWMGRCRULAVZLI-STQMWFEESA-N 2 0 268.405 -0.169 20 0 CBADRP C[NH+](C)CCC(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001530768761 922966748 /nfs/dbraw/zinc/96/67/48/922966748.db2.gz HIAPCWZLKGVHFI-CYBMUJFWSA-N 2 0 296.415 -0.536 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)[C@H]1CCC[NH+]1C ZINC001533856554 923125299 /nfs/dbraw/zinc/12/52/99/923125299.db2.gz DTWIDCRVOCELCK-FRRDWIJNSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001534032520 923132828 /nfs/dbraw/zinc/13/28/28/923132828.db2.gz DTWIDCRVOCELCK-XQQFMLRXSA-N 2 0 296.415 -0.204 20 0 CBADRP CCN1CC[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001543383392 923288351 /nfs/dbraw/zinc/28/83/51/923288351.db2.gz KIDQNWHOWKKPDW-NEPJUHHUSA-N 2 0 254.378 -0.557 20 0 CBADRP Cc1c(C(=O)N2C[C@H]([NH3+])C[C@H]2C)nnn1[C@H]1CC[NH2+]C1 ZINC001548464546 923355367 /nfs/dbraw/zinc/35/53/67/923355367.db2.gz UQHAOCVIKKWKKV-IEBDPFPHSA-N 2 0 278.360 -0.317 20 0 CBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC001548554559 923374230 /nfs/dbraw/zinc/37/42/30/923374230.db2.gz ALELIQUXEOGOIG-ZANVPECISA-N 2 0 278.356 -0.118 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC001548550441 923374530 /nfs/dbraw/zinc/37/45/30/923374530.db2.gz GODNBYHKSPIYBZ-UONOGXRCSA-N 2 0 280.416 -0.023 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2CCO3)n1 ZINC001548550460 923375371 /nfs/dbraw/zinc/37/53/71/923375371.db2.gz HFULLJLUYUIRSW-RISCZKNCSA-N 2 0 293.371 -0.238 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCO3)C1 ZINC001548553917 923375664 /nfs/dbraw/zinc/37/56/64/923375664.db2.gz POQFUZPOAUUKHR-DYEKYZERSA-N 2 0 283.372 -0.798 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CCO3)C1 ZINC001548553835 923377345 /nfs/dbraw/zinc/37/73/45/923377345.db2.gz OXLPKNBBEPMSEH-DYEKYZERSA-N 2 0 267.373 -0.083 20 0 CBADRP O=C(N1CC[C@]2(C1)CCC[NH2+]C2)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548557734 923378723 /nfs/dbraw/zinc/37/87/23/923378723.db2.gz KOJQQIQVZCAUEH-YUELXQCFSA-N 2 0 279.384 -0.033 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC001548557206 923379216 /nfs/dbraw/zinc/37/92/16/923379216.db2.gz SYUDDWOTVHAGFN-MWLCHTKSSA-N 2 0 277.315 -0.396 20 0 CBADRP C[C@@H](c1cccnc1)N1CCN(C(=O)C[C@H](O)C[NH3+])CC1 ZINC001548555605 923379966 /nfs/dbraw/zinc/37/99/66/923379966.db2.gz TYWDFFZCRBJFFB-JSGCOSHPSA-N 2 0 292.383 -0.004 20 0 CBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC001548556014 923380263 /nfs/dbraw/zinc/38/02/63/923380263.db2.gz ZSDWUTQWSMPIDH-GXTWGEPZSA-N 2 0 267.373 -0.156 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548556562 923380686 /nfs/dbraw/zinc/38/06/86/923380686.db2.gz DVYFKZJLMVPRIY-WGBDABJCSA-N 2 0 253.346 -0.521 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CCO3)CC1 ZINC001548559906 923383098 /nfs/dbraw/zinc/38/30/98/923383098.db2.gz WNVVEQHYZCQNNN-HIFRSBDPSA-N 2 0 297.399 -0.454 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC001548561235 923385306 /nfs/dbraw/zinc/38/53/06/923385306.db2.gz JLCFOSITKXTFTE-BFHYXJOUSA-N 2 0 280.416 -0.119 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC001548561237 923385397 /nfs/dbraw/zinc/38/53/97/923385397.db2.gz JLCFOSITKXTFTE-MELADBBJSA-N 2 0 280.416 -0.119 20 0 CBADRP C[C@H]1CC2(CN1C(=O)[C@H]1C[NH2+]CCN1C)CC[NH2+]CC2 ZINC001548563068 923385638 /nfs/dbraw/zinc/38/56/38/923385638.db2.gz KGUQJDDOWMAGET-QWHCGFSZSA-N 2 0 280.416 -0.119 20 0 CBADRP [NH3+]C[C@@H](O)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC001548563293 923385818 /nfs/dbraw/zinc/38/58/18/923385818.db2.gz ZNRKFENCMRWJRR-XHVZSJERSA-N 2 0 281.331 -0.212 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548562949 923385937 /nfs/dbraw/zinc/38/59/37/923385937.db2.gz JSPOJTNEHAVGCE-PRFIWBCESA-N 2 0 253.346 -0.393 20 0 CBADRP CC1(C)[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCO3)C[C@@H]1[NH3+] ZINC001548562945 923387441 /nfs/dbraw/zinc/38/74/41/923387441.db2.gz JSPOJTNEHAVGCE-COMAGPEQSA-N 2 0 253.346 -0.393 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC001548566084 923388680 /nfs/dbraw/zinc/38/86/80/923388680.db2.gz UMDXDOUQOWZZFF-LSDHHAIUSA-N 2 0 288.395 -0.025 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NCC[C@@H]2CSCC[NH2+]2)=NO1 ZINC001548566063 923390207 /nfs/dbraw/zinc/39/02/07/923390207.db2.gz UAKRGLATJGIURU-BDAKNGLRSA-N 2 0 272.374 -0.699 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001548568426 923390372 /nfs/dbraw/zinc/39/03/72/923390372.db2.gz GUMCRXSQCBZUTM-NXEZZACHSA-N 2 0 271.386 -0.671 20 0 CBADRP O=C(N[C@H]1COC2(C[NH2+]C2)C1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001548570101 923394025 /nfs/dbraw/zinc/39/40/25/923394025.db2.gz VBVWVMNVLQXYLS-ZWNOBZJWSA-N 2 0 294.355 -0.868 20 0 CBADRP [NH3+]C[C@@H](O)CNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC001548571477 923394717 /nfs/dbraw/zinc/39/47/17/923394717.db2.gz CQCUMFXNMLCYBK-CYBMUJFWSA-N 2 0 277.368 -0.256 20 0 CBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)C1(c2ccccc2)CC[NH2+]CC1 ZINC001548573013 923396474 /nfs/dbraw/zinc/39/64/74/923396474.db2.gz XVUKRGMQHLIDCF-UONOGXRCSA-N 2 0 289.379 -0.243 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001548575338 923399716 /nfs/dbraw/zinc/39/97/16/923399716.db2.gz CLXHTXXQIAHDJE-KBPBESRZSA-N 2 0 277.368 -0.260 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548576104 923400676 /nfs/dbraw/zinc/40/06/76/923400676.db2.gz LOHSSDJTVNZCSG-SNVBAGLBSA-N 2 0 255.362 -0.036 20 0 CBADRP CC1(C)CN(C(=O)[C@@H]2CCC[NH2+]2)CC2(C[NH2+]C2)O1 ZINC001548575968 923401261 /nfs/dbraw/zinc/40/12/61/923401261.db2.gz NVJQIJXWJMZODV-JTQLQIEISA-N 2 0 253.346 -0.282 20 0 CBADRP CC1(C)CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC2(C[NH2+]C2)O1 ZINC001548577421 923402623 /nfs/dbraw/zinc/40/26/23/923402623.db2.gz FMSLDFVEJYSJEN-AOOOYVTPSA-N 2 0 253.346 -0.297 20 0 CBADRP COC[C@]1(C(=O)N2CC3(C[NH2+]C3)OC(C)(C)C2)CC[NH2+]C1 ZINC001548579244 923402769 /nfs/dbraw/zinc/40/27/69/923402769.db2.gz RREPCFAXIHEKRA-AWEZNQCLSA-N 2 0 297.399 -0.408 20 0 CBADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC001548576283 923403401 /nfs/dbraw/zinc/40/34/01/923403401.db2.gz OCTGPNNASNFUCT-JSGCOSHPSA-N 2 0 277.368 -0.088 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548578506 923403745 /nfs/dbraw/zinc/40/37/45/923403745.db2.gz MXDZDPHXFCRDMF-VHSXEESVSA-N 2 0 255.362 -0.051 20 0 CBADRP [NH3+]C[C@]1(C(=O)N2CCC3(CC2)C[NH2+]CCO3)CCCOC1 ZINC001548585843 923406308 /nfs/dbraw/zinc/40/63/08/923406308.db2.gz AKDFSSVEGVHKSU-CQSZACIVSA-N 2 0 297.399 -0.277 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001548587552 923407336 /nfs/dbraw/zinc/40/73/36/923407336.db2.gz QPMGSPQQILWHJN-ZDUSSCGKSA-N 2 0 297.399 -0.264 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCN2C[C@H]3C)CC1 ZINC001548643796 923425236 /nfs/dbraw/zinc/42/52/36/923425236.db2.gz VIMBKAKZMUKPLJ-KGLIPLIRSA-N 2 0 280.416 -0.071 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC001548643105 923426829 /nfs/dbraw/zinc/42/68/29/923426829.db2.gz AJYJOODQNXZRFI-YUELXQCFSA-N 2 0 292.427 -0.025 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC001548643465 923428265 /nfs/dbraw/zinc/42/82/65/923428265.db2.gz LSUUJEMEGXTQEO-RDBSUJKOSA-N 2 0 280.416 -0.167 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC001548694723 923458138 /nfs/dbraw/zinc/45/81/38/923458138.db2.gz YZBZNQXJMHYGLS-CHWSQXEVSA-N 2 0 278.400 -0.461 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC001548707942 923467006 /nfs/dbraw/zinc/46/70/06/923467006.db2.gz FXRDHICNIMGBBZ-YCPHGPKFSA-N 2 0 292.427 -0.071 20 0 CBADRP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC001548711154 923469462 /nfs/dbraw/zinc/46/94/62/923469462.db2.gz SZNIFCNOOCJBAR-RQJABVFESA-N 2 0 280.416 -0.074 20 0 CBADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001548711714 923472561 /nfs/dbraw/zinc/47/25/61/923472561.db2.gz VFCGPVPZHXYTBV-YIYPIFLZSA-N 2 0 280.416 -0.074 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCN(CCCF)CC1 ZINC001548723915 923473163 /nfs/dbraw/zinc/47/31/63/923473163.db2.gz BHGFTLWDDNTWQS-ZIAGYGMSSA-N 2 0 298.406 -0.122 20 0 CBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC001548728067 923479732 /nfs/dbraw/zinc/47/97/32/923479732.db2.gz RTQIAHJEVYOFLZ-IVMMDQJWSA-N 2 0 292.427 -0.025 20 0 CBADRP CO[C@@H]1C[NH2+][C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC001548945979 923516279 /nfs/dbraw/zinc/51/62/79/923516279.db2.gz DEEUFDDATCOHEK-RVMXOQNASA-N 2 0 293.371 -0.950 20 0 CBADRP CO[C@@H]1C[NH2+][C@H](C(=O)N2C[C@H]([NH3+])[C@@H](c3cnn(C)c3)C2)C1 ZINC001548945977 923516683 /nfs/dbraw/zinc/51/66/83/923516683.db2.gz DEEUFDDATCOHEK-RNJOBUHISA-N 2 0 293.371 -0.950 20 0 CBADRP CCC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549034392 923526793 /nfs/dbraw/zinc/52/67/93/923526793.db2.gz JMOFTYZXJSEAHD-WOPDTQHZSA-N 2 0 265.361 -0.199 20 0 CBADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001549044280 923529018 /nfs/dbraw/zinc/52/90/18/923529018.db2.gz LROBAQDEHGQHBX-UBHSHLNASA-N 2 0 275.352 -0.288 20 0 CBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549045059 923533490 /nfs/dbraw/zinc/53/34/90/923533490.db2.gz SDJDECZNHMNSMG-LVEVGFFFSA-N 2 0 251.330 -0.959 20 0 CBADRP [NH3+][C@H](CC(F)F)C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549044793 923533783 /nfs/dbraw/zinc/53/37/83/923533783.db2.gz GYOAACNHUFRSRH-HRDYMLBCSA-N 2 0 263.288 -0.442 20 0 CBADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549044790 923534655 /nfs/dbraw/zinc/53/46/55/923534655.db2.gz GWRDOIOLZFPKAH-OPDFLTKYSA-N 2 0 265.357 -0.425 20 0 CBADRP [NH3+]Cc1cc(C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)co1 ZINC001549045166 923534737 /nfs/dbraw/zinc/53/47/37/923534737.db2.gz ZLUWMXUBTLSEKZ-NWDGAFQWSA-N 2 0 265.313 -0.059 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549044827 923536885 /nfs/dbraw/zinc/53/68/85/923536885.db2.gz KMCIJQGWCPPWAJ-TUAOUCFPSA-N 2 0 253.346 -0.425 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001549045802 923538949 /nfs/dbraw/zinc/53/89/49/923538949.db2.gz SBVLRFMBUCPAEV-RFGFWPKPSA-N 2 0 281.400 -0.053 20 0 CBADRP COCC1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[NH2+]CC1 ZINC001549046089 923540187 /nfs/dbraw/zinc/54/01/87/923540187.db2.gz FKSCGAWXCCZWKU-LBPRGKRZSA-N 2 0 285.388 -0.503 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001549046890 923543479 /nfs/dbraw/zinc/54/34/79/923543479.db2.gz BUZKIEMSSGTBCK-NEPJUHHUSA-N 2 0 280.376 -0.116 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)C3CC([NH3+])C3)C2)nn1 ZINC001549046836 923544256 /nfs/dbraw/zinc/54/42/56/923544256.db2.gz AOWHZXPLEPZEJO-RTYFJBAXSA-N 2 0 278.360 -0.362 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@]3(F)CC[NH2+]C3)C2)nn1 ZINC001549046922 923544289 /nfs/dbraw/zinc/54/42/89/923544289.db2.gz CZAUTBFVFMSADS-YPMHNXCESA-N 2 0 296.350 -0.398 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549048904 923546049 /nfs/dbraw/zinc/54/60/49/923546049.db2.gz VACRJGSWQBUPSU-OUAUKWLOSA-N 2 0 251.334 -0.590 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCCC[NH2+]3)C[C@@H]2[NH3+])cn1 ZINC001549048088 923547047 /nfs/dbraw/zinc/54/70/47/923547047.db2.gz JGFJXNUBYOQBTM-RWMBFGLXSA-N 2 0 277.372 -0.185 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001549049017 923547266 /nfs/dbraw/zinc/54/72/66/923547266.db2.gz ALLHXCCQLFRDNO-SDDRHHMPSA-N 2 0 281.360 -0.963 20 0 CBADRP [NH3+]C1(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C2CC3CC(C2)CC1C3 ZINC001549048475 923547279 /nfs/dbraw/zinc/54/72/79/923547279.db2.gz MKGQQGPFSKXOIM-VATJOHDHSA-N 2 0 293.411 -0.021 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[NH2+]C3)C[C@@H]2[NH3+])cn1 ZINC001549048436 923547850 /nfs/dbraw/zinc/54/78/50/923547850.db2.gz JORXSQGUPRWZKF-WXHSDQCUSA-N 2 0 277.372 -0.327 20 0 CBADRP [NH3+]C1(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C2CC3CC(C2)CC1C3 ZINC001549048476 923547863 /nfs/dbraw/zinc/54/78/63/923547863.db2.gz MKGQQGPFSKXOIM-WXRDRAGWSA-N 2 0 293.411 -0.021 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)C[C@H]2[NH3+])cn1 ZINC001549050955 923549082 /nfs/dbraw/zinc/54/90/82/923549082.db2.gz QUUXQHWDRGJVLR-LPTSXCQYSA-N 2 0 277.372 -0.199 20 0 CBADRP COCC1(C(=O)N2CCCO[C@H](C[NH3+])C2)CC[NH2+]CC1 ZINC001549052076 923550374 /nfs/dbraw/zinc/55/03/74/923550374.db2.gz YQBGQUXSQVMELF-GFCCVEGCSA-N 2 0 285.388 -0.421 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)[C@]3(C)CC[NH2+]C3)C[C@@H]2[NH3+])cn1 ZINC001549050921 923550395 /nfs/dbraw/zinc/55/03/95/923550395.db2.gz QSPMCZKCQZWPHA-SGMGOOAPSA-N 2 0 277.372 -0.327 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC001549074851 923554594 /nfs/dbraw/zinc/55/45/94/923554594.db2.gz GEUIPKQLNBOKHV-CYBMUJFWSA-N 2 0 284.404 -0.800 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC001549125775 923559297 /nfs/dbraw/zinc/55/92/97/923559297.db2.gz RLAWSWVVMLXZGN-LPEHRKFASA-N 2 0 295.305 -0.121 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)nn1 ZINC001549126859 923559406 /nfs/dbraw/zinc/55/94/06/923559406.db2.gz FKMOFDVBMGQZTA-FZMZJTMJSA-N 2 0 292.387 -0.172 20 0 CBADRP CO[C@@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001549127366 923559624 /nfs/dbraw/zinc/55/96/24/923559624.db2.gz CXAXKIAQUQOVJN-MNXVOIDGSA-N 2 0 267.373 -0.049 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549127873 923560009 /nfs/dbraw/zinc/56/00/09/923560009.db2.gz HAIYHNPSAZPHBQ-GMXVVIOVSA-N 2 0 255.362 -0.062 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)[C@H]3C[NH2+]CCO3)C2)C1 ZINC001549123972 923560982 /nfs/dbraw/zinc/56/09/82/923560982.db2.gz KEMYJBGGYCTDBC-YIYPIFLZSA-N 2 0 297.399 -0.280 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)[C@H]1C[C@H](O)C[NH2+]1)C2 ZINC001549128731 923561508 /nfs/dbraw/zinc/56/15/08/923561508.db2.gz NRKSROUITWNCLU-XZUYRWCXSA-N 2 0 253.346 -0.703 20 0 CBADRP C[NH2+][C@H](C)C(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549170730 923562935 /nfs/dbraw/zinc/56/29/35/923562935.db2.gz SNPCDNZTINCLOQ-IEBDPFPHSA-N 2 0 251.334 -0.719 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549171587 923567046 /nfs/dbraw/zinc/56/70/46/923567046.db2.gz APBZNDZMJSXLJS-KBPBESRZSA-N 2 0 280.416 -0.118 20 0 CBADRP C[C@H]1C[N@H+](CCC[NH3+])C[C@H]1C(=O)N1CCOCC1 ZINC001549175669 923567099 /nfs/dbraw/zinc/56/70/99/923567099.db2.gz NHTCFMAKKINDOP-NWDGAFQWSA-N 2 0 255.362 -0.238 20 0 CBADRP C[C@@H]1C[N@H+](CCC[NH3+])C[C@@H]1C(=O)N1CCOCC1 ZINC001549175667 923567393 /nfs/dbraw/zinc/56/73/93/923567393.db2.gz NHTCFMAKKINDOP-NEPJUHHUSA-N 2 0 255.362 -0.238 20 0 CBADRP CCO[C@@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)C[C@@H]1C[NH3+] ZINC001549212578 923570582 /nfs/dbraw/zinc/57/05/82/923570582.db2.gz LWOBXITXWJCGCT-MRFPXMQZSA-N 2 0 282.388 -0.256 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001549292993 923579730 /nfs/dbraw/zinc/57/97/30/923579730.db2.gz GRPUOTHOKRIWJA-VXGBXAGGSA-N 2 0 280.376 -0.102 20 0 CBADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)CC3([NH3+])CC3)C2)nn1 ZINC001549293336 923580325 /nfs/dbraw/zinc/58/03/25/923580325.db2.gz MNNUZYLCWOYNON-LLVKDONJSA-N 2 0 278.360 -0.218 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)C[C@@H]2CC[NH2+]C[C@H]2F)CCCO1 ZINC001549291559 923580349 /nfs/dbraw/zinc/58/03/49/923580349.db2.gz ILUPZTHFLOPYRC-QJPTWQEYSA-N 2 0 273.352 -0.100 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549293108 923580403 /nfs/dbraw/zinc/58/04/03/923580403.db2.gz RLAIWIVHSCJVNX-OWTLIXCDSA-N 2 0 267.373 -0.062 20 0 CBADRP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC001549292236 923580663 /nfs/dbraw/zinc/58/06/63/923580663.db2.gz RGXQKOVSUVYENV-MCIONIFRSA-N 2 0 281.400 -0.053 20 0 CBADRP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC001549292244 923580857 /nfs/dbraw/zinc/58/08/57/923580857.db2.gz RGXQKOVSUVYENV-MJBXVCDLSA-N 2 0 281.400 -0.053 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC001549296237 923583849 /nfs/dbraw/zinc/58/38/49/923583849.db2.gz KXZICKUFQWZYGO-STQMWFEESA-N 2 0 290.367 -0.677 20 0 CBADRP [NH3+][C@H]1CN(C(=O)C2(O)C[NH2+]C2)C[C@H]1c1ccc(F)cc1 ZINC001549294026 923584692 /nfs/dbraw/zinc/58/46/92/923584692.db2.gz OQDGRYPCJILZMH-RYUDHWBXSA-N 2 0 279.315 -0.587 20 0 CBADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001549295121 923585417 /nfs/dbraw/zinc/58/54/17/923585417.db2.gz FCAQHQUVJULAHZ-QNWHQSFQSA-N 2 0 267.373 -0.158 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC001549296236 923585447 /nfs/dbraw/zinc/58/54/47/923585447.db2.gz KXZICKUFQWZYGO-QWHCGFSZSA-N 2 0 290.367 -0.677 20 0 CBADRP COC[C@@H]([NH3+])C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001549294824 923585858 /nfs/dbraw/zinc/58/58/58/923585858.db2.gz KDIANNAVIGZLKE-CQSZACIVSA-N 2 0 299.415 -0.033 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)c1cnnn1C1CC[NH2+]CC1 ZINC001549299828 923587021 /nfs/dbraw/zinc/58/70/21/923587021.db2.gz LNSMKYPOHNCLBG-UHFFFAOYSA-N 2 0 290.371 -0.316 20 0 CBADRP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC001549302697 923589299 /nfs/dbraw/zinc/58/92/99/923589299.db2.gz UNQMHVVKKMFBRC-MELADBBJSA-N 2 0 281.400 -0.053 20 0 CBADRP [NH3+]CCC(=O)NCc1cccc(N2CC[C@@H]([NH3+])C2)n1 ZINC001549726967 923629583 /nfs/dbraw/zinc/62/95/83/923629583.db2.gz NGDZSVPQKXFYTR-SNVBAGLBSA-N 2 0 263.345 -0.416 20 0 CBADRP [NH3+][C@@H]1C[C@H]1C(=O)NCc1ccncc1O[C@@H]1CC[NH2+]C1 ZINC001549720447 923630281 /nfs/dbraw/zinc/63/02/81/923630281.db2.gz DLZJOHRTTBVIFP-IJLUTSLNSA-N 2 0 276.340 -0.214 20 0 CBADRP C[C@@H]([NH3+])C(=O)NCc1cccc(N2CC[C@@H]([NH3+])C2)n1 ZINC001549725782 923630554 /nfs/dbraw/zinc/63/05/54/923630554.db2.gz DGAMGAHFFIDZGE-NXEZZACHSA-N 2 0 263.345 -0.418 20 0 CBADRP [NH3+]CCC(=O)NCc1cccc(N2CC[C@H]([NH3+])C2)n1 ZINC001549726966 923630941 /nfs/dbraw/zinc/63/09/41/923630941.db2.gz NGDZSVPQKXFYTR-JTQLQIEISA-N 2 0 263.345 -0.416 20 0 CBADRP [NH3+]CCCC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549728859 923632596 /nfs/dbraw/zinc/63/25/96/923632596.db2.gz RYWHWISIVQFSQL-BXUZGUMPSA-N 2 0 282.388 -0.512 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)Nc1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001549732915 923633252 /nfs/dbraw/zinc/63/32/52/923633252.db2.gz XCXFSBNSWAMTCL-UWVGGRQHSA-N 2 0 279.344 -0.196 20 0 CBADRP CC[NH2+]CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549728462 923633454 /nfs/dbraw/zinc/63/34/54/923633454.db2.gz QVMLQCASTMQVLA-RISCZKNCSA-N 2 0 282.388 -0.641 20 0 CBADRP C[NH2+]CCC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549729212 923633884 /nfs/dbraw/zinc/63/38/84/923633884.db2.gz DIMFICCWXKDPNT-SMDDNHRTSA-N 2 0 282.388 -0.641 20 0 CBADRP [NH3+]CCC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549728891 923633980 /nfs/dbraw/zinc/63/39/80/923633980.db2.gz SVQCCDYHLAUBFS-GWCFXTLKSA-N 2 0 268.361 -0.902 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@]3(C)CC[NH2+]C3)C[C@H]2[NH3+])c1 ZINC001549734596 923635095 /nfs/dbraw/zinc/63/50/95/923635095.db2.gz FUTZYEMVYYUQIY-GYSYKLTISA-N 2 0 277.372 -0.327 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)C[C@H]2[NH3+])c1 ZINC001549736890 923635128 /nfs/dbraw/zinc/63/51/28/923635128.db2.gz ZIJTXOLEURGRAW-DDHJBXDOSA-N 2 0 277.372 -0.199 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C(=O)Nc2c[nH]nc2[C@@H]2CC[NH2+]C2)O1 ZINC001549737125 923636288 /nfs/dbraw/zinc/63/62/88/923636288.db2.gz OGYAKHWVDOZKPC-FXPVBKGRSA-N 2 0 279.344 -0.198 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)C[C@H]([NH3+])C3CC3)C[C@@H]2[NH3+])c1 ZINC001549738135 923636827 /nfs/dbraw/zinc/63/68/27/923636827.db2.gz JYBDMKKQFTWEPQ-WOPDTQHZSA-N 2 0 277.372 -0.199 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]([NH3+])C3CCC3)C[C@@H]2[NH3+])c1 ZINC001549740365 923637438 /nfs/dbraw/zinc/63/74/38/923637438.db2.gz OYBRWQMXDFAHGX-NTZNESFSSA-N 2 0 277.372 -0.199 20 0 CBADRP Cn1cnc([C@H]2CN(C(=O)CC3([NH3+])CC3)C[C@@H]2[NH3+])c1 ZINC001549740659 923637594 /nfs/dbraw/zinc/63/75/94/923637594.db2.gz XJDHUUHKCVQQBH-UWVGGRQHSA-N 2 0 263.345 -0.445 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549740941 923638481 /nfs/dbraw/zinc/63/84/81/923638481.db2.gz SFHXCYQEYXYVPW-SRRSOLGSSA-N 2 0 280.372 -0.903 20 0 CBADRP C[NH2+][C@H](C)C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549740842 923638542 /nfs/dbraw/zinc/63/85/42/923638542.db2.gz RAEMCBRYJCAPMP-SUZMYJTESA-N 2 0 282.388 -0.643 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH3+])C1 ZINC001549742787 923639206 /nfs/dbraw/zinc/63/92/06/923639206.db2.gz UMDLRXZFMOASJW-WRWGMCAJSA-N 2 0 277.372 -0.471 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]([NH3+])C3CCC3)C[C@H]2[NH3+])c1 ZINC001549740363 923639369 /nfs/dbraw/zinc/63/93/69/923639369.db2.gz OYBRWQMXDFAHGX-NQBHXWOUSA-N 2 0 277.372 -0.199 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N2C[C@H]([NH3+])[C@H](c3cn(C)cn3)C2)O1 ZINC001549741280 923639823 /nfs/dbraw/zinc/63/98/23/923639823.db2.gz YXXUEFQYZVDDPR-HNCHTBHHSA-N 2 0 293.371 -0.950 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH3+])C1 ZINC001549750203 923642585 /nfs/dbraw/zinc/64/25/85/923642585.db2.gz ZDQWSCBBHKFXJQ-NNYUYHANSA-N 2 0 277.372 -0.329 20 0 CBADRP CC(=O)N1CC[C@@]([NH3+])(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC001549900141 923643822 /nfs/dbraw/zinc/64/38/22/923643822.db2.gz AKGKASLIKIUVSP-WFASDCNBSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@]12C[NH2+]C[C@]1(C)CN(C(=O)[C@@]13C[NH2+]C[C@H]1COC3)C2 ZINC001549898989 923645514 /nfs/dbraw/zinc/64/55/14/923645514.db2.gz GUZKIKYIIQEIJW-ZGKBOVNRSA-N 2 0 279.384 -0.320 20 0 CBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@H]2OCC[C@H]2[NH3+])C1 ZINC001549901013 923646823 /nfs/dbraw/zinc/64/68/23/923646823.db2.gz SHLJSHQBDVRPIO-AXFHLTTASA-N 2 0 255.362 -0.003 20 0 CBADRP C[C@H](C(=O)N1C[C@@H]([NH+](C)C)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001549950977 923654125 /nfs/dbraw/zinc/65/41/25/923654125.db2.gz IVZIBHQUYOACLN-UTUOFQBUSA-N 2 0 280.376 -0.458 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001550001637 923660873 /nfs/dbraw/zinc/66/08/73/923660873.db2.gz OTVFGVBKZFGQSE-CQSZACIVSA-N 2 0 280.416 -0.070 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001550067945 923665715 /nfs/dbraw/zinc/66/57/15/923665715.db2.gz WBRDWHUNAWYGAC-USWWRNFRSA-N 2 0 265.361 -0.329 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1c1ccccc1)[C@H]1C[NH2+]CCO1 ZINC001550073829 923665979 /nfs/dbraw/zinc/66/59/79/923665979.db2.gz QDWSXUNRVKNDPY-MGPQQGTHSA-N 2 0 275.352 -0.153 20 0 CBADRP CC[NH2+][C@H](C)C(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001550067944 923666664 /nfs/dbraw/zinc/66/66/64/923666664.db2.gz WBRDWHUNAWYGAC-JLLWLGSASA-N 2 0 265.361 -0.329 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)[C@@H]1OCC[C@H]1[NH3+])C2 ZINC001550069405 923666837 /nfs/dbraw/zinc/66/68/37/923666837.db2.gz SLLZTFMJYPSQQZ-UZWSLXQKSA-N 2 0 253.346 -0.310 20 0 CBADRP COC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC001550078629 923670433 /nfs/dbraw/zinc/67/04/33/923670433.db2.gz YLFOYGHVLPOFJT-FRRDWIJNSA-N 2 0 263.341 -0.168 20 0 CBADRP O=C(NC[C@H]1CC12CC[NH2+]CC2)[C@H]1C[NH2+]CCOC1 ZINC001550080999 923670604 /nfs/dbraw/zinc/67/06/04/923670604.db2.gz KTZYDWJWQGMSOC-NWDGAFQWSA-N 2 0 267.373 -0.272 20 0 CBADRP O=C(NC[C@H]1CC12CC[NH2+]CC2)[C@@H]1C[NH2+]CCO1 ZINC001550087620 923671757 /nfs/dbraw/zinc/67/17/57/923671757.db2.gz ZICLFVAWQANLDU-MNOVXSKESA-N 2 0 253.346 -0.519 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087534 923672122 /nfs/dbraw/zinc/67/21/22/923672122.db2.gz WUFLRSAKXSEVSR-QJPTWQEYSA-N 2 0 278.360 -0.444 20 0 CBADRP [NH3+][C@@H]1CC[C@@H](C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC001550087650 923672928 /nfs/dbraw/zinc/67/29/28/923672928.db2.gz ASCJDGTVVFLUEM-CKYFFXLPSA-N 2 0 278.360 -0.444 20 0 CBADRP O=C(CC1CC[NH2+]CC1)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087664 923672965 /nfs/dbraw/zinc/67/29/65/923672965.db2.gz AZEDVIPYXSJLKR-ZDUSSCGKSA-N 2 0 292.387 -0.182 20 0 CBADRP C[C@H](C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1)[NH+](C)C ZINC001550088224 923673062 /nfs/dbraw/zinc/67/30/62/923673062.db2.gz OSNIOFQRONZKEQ-KOLCDFICSA-N 2 0 266.349 -0.621 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087611 923673130 /nfs/dbraw/zinc/67/31/30/923673130.db2.gz ZAMUSAKNONHHPD-WCFLWFBJSA-N 2 0 292.387 -0.054 20 0 CBADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087785 923673442 /nfs/dbraw/zinc/67/34/42/923673442.db2.gz FWDQZUQAASIEQA-RWMBFGLXSA-N 2 0 292.387 -0.054 20 0 CBADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1CCCC[NH2+]C1 ZINC001550088194 923673451 /nfs/dbraw/zinc/67/34/51/923673451.db2.gz OAJBKUUTFPIMRS-DGCLKSJQSA-N 2 0 292.387 -0.182 20 0 CBADRP C[C@@]1(C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)CCC[NH2+]1 ZINC001550087188 923673525 /nfs/dbraw/zinc/67/35/25/923673525.db2.gz PVSKMWANXYLNKG-YPMHNXCESA-N 2 0 278.360 -0.429 20 0 CBADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@@]1(F)CC[NH2+]C1 ZINC001550088914 923675491 /nfs/dbraw/zinc/67/54/91/923675491.db2.gz XWISFDYUTRUVJP-CMPLNLGQSA-N 2 0 282.323 -0.870 20 0 CBADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@H]1CCC[NH2+]C1 ZINC001550088372 923676182 /nfs/dbraw/zinc/67/61/82/923676182.db2.gz OHLHDBDQIRJEFC-JQWIXIFHSA-N 2 0 278.360 -0.572 20 0 CBADRP C[NH2+]CCC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001550092505 923677424 /nfs/dbraw/zinc/67/74/24/923677424.db2.gz IANTXHBLXQIBSL-LBPRGKRZSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@H]([NH3+])CCC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001550093089 923677546 /nfs/dbraw/zinc/67/75/46/923677546.db2.gz UALAYIRUCGZARQ-AAEUAGOBSA-N 2 0 296.415 -0.075 20 0 CBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001550094919 923677844 /nfs/dbraw/zinc/67/78/44/923677844.db2.gz ANRGWADXFODLIE-MNOVXSKESA-N 2 0 278.360 -0.492 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001550094938 923678087 /nfs/dbraw/zinc/67/80/87/923678087.db2.gz ANRGWADXFODLIE-WDEREUQCSA-N 2 0 278.360 -0.492 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001550094809 923678239 /nfs/dbraw/zinc/67/82/39/923678239.db2.gz AGHIVKZEHHCJEY-BXKDBHETSA-N 2 0 278.360 -0.349 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCCC[NH2+]C3)C2)nn1 ZINC001550096929 923679045 /nfs/dbraw/zinc/67/90/45/923679045.db2.gz SCRAFMQCAKFVNB-YPMHNXCESA-N 2 0 292.387 -0.100 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001550096109 923679208 /nfs/dbraw/zinc/67/92/08/923679208.db2.gz VTRRNYGJHKZMIP-ONGXEEELSA-N 2 0 266.349 -0.492 20 0 CBADRP C[C@]1(C(=O)N2CC[C@@H](n3cc(C[NH3+])nn3)C2)CCC[NH2+]C1 ZINC001550094645 923679756 /nfs/dbraw/zinc/67/97/56/923679756.db2.gz XQADHHABHPWCPB-OCCSQVGLSA-N 2 0 292.387 -0.100 20 0 CBADRP C[NH+]1CCC(n2cc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)cn2)CC1 ZINC001550098159 923681774 /nfs/dbraw/zinc/68/17/74/923681774.db2.gz LVDPISIEZIUFSV-OLZOCXBDSA-N 2 0 293.371 -0.189 20 0 CBADRP C[NH+]1CCC(n2cc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)cn2)CC1 ZINC001550098160 923682241 /nfs/dbraw/zinc/68/22/41/923682241.db2.gz LVDPISIEZIUFSV-QWHCGFSZSA-N 2 0 293.371 -0.189 20 0 CBADRP COC[C@@]1(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]CCO1 ZINC001550105859 923683179 /nfs/dbraw/zinc/68/31/79/923683179.db2.gz PHTHJGMUULVMJS-VYHDIPPYSA-N 2 0 297.399 -0.362 20 0 CBADRP C[C@H](C(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1)[NH+](C)C ZINC001550112874 923686053 /nfs/dbraw/zinc/68/60/53/923686053.db2.gz LOYPUMZVORCYKB-OUAUKWLOSA-N 2 0 265.361 -0.377 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3[C@H](C[NH3+])C3(F)F)C[C@H]2[NH3+])c1 ZINC001550113075 923686591 /nfs/dbraw/zinc/68/65/91/923686591.db2.gz QEOXBQGSPUZDRZ-LOKLDPHHSA-N 2 0 299.325 -0.487 20 0 CBADRP [NH3+]C[C@@H]1CCO[C@H]1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550112664 923687295 /nfs/dbraw/zinc/68/72/95/923687295.db2.gz RBALBIZYDPRGAM-YNEHKIRRSA-N 2 0 297.399 -0.375 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550112463 923687628 /nfs/dbraw/zinc/68/76/28/923687628.db2.gz HYRXNTKXFKPHTO-UTUOFQBUSA-N 2 0 283.372 -0.623 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@]3(C)CCC[NH2+]3)C2)CC1 ZINC001550117418 923689058 /nfs/dbraw/zinc/68/90/58/923689058.db2.gz ZXRNTNLDAWDPIP-HIFRSBDPSA-N 2 0 280.416 -0.023 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)C(C)(C)C[NH3+])C2)CC1 ZINC001550117357 923689450 /nfs/dbraw/zinc/68/94/50/923689450.db2.gz YSVHJJMHLZYXKO-LBPRGKRZSA-N 2 0 268.405 -0.180 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NC23CC(C[NH3+])(C2)C3)C1 ZINC001550118498 923689587 /nfs/dbraw/zinc/68/95/87/923689587.db2.gz ZPHWRJUKTYLUSX-SCLBLNCCSA-N 2 0 253.346 -0.249 20 0 CBADRP [NH3+]CC12CC(NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)(C1)C2 ZINC001550118932 923689831 /nfs/dbraw/zinc/68/98/31/923689831.db2.gz KZUQAEVRFDYCDN-FNBIGBAISA-N 2 0 280.372 -0.758 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001550117404 923690053 /nfs/dbraw/zinc/69/00/53/923690053.db2.gz XZUPKIHDOQSVKN-COPLHBTASA-N 2 0 280.372 -0.745 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550117072 923690362 /nfs/dbraw/zinc/69/03/62/923690362.db2.gz UMEVUMYVLDSXHJ-CHWSQXEVSA-N 2 0 268.405 -0.038 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@]3(F)CC[NH2+]C3)C2)CC1 ZINC001550117308 923690401 /nfs/dbraw/zinc/69/04/01/923690401.db2.gz XUZNQOVEVAYFBA-OCCSQVGLSA-N 2 0 284.379 -0.464 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC23CC(C[NH3+])(C2)C3)C1 ZINC001550118496 923690632 /nfs/dbraw/zinc/69/06/32/923690632.db2.gz ZPHWRJUKTYLUSX-ASYDDIGESA-N 2 0 253.346 -0.249 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)[C@]3(C)C[NH2+]CCO3)C2)CC1 ZINC001550117115 923691261 /nfs/dbraw/zinc/69/12/61/923691261.db2.gz VDLHWFSRKFGUEW-ZFWWWQNUSA-N 2 0 296.415 -0.787 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)C[C@@H]([NH3+])C3CC3)C2)CC1 ZINC001550117060 923691651 /nfs/dbraw/zinc/69/16/51/923691651.db2.gz UHHNSHNTDQWLPF-ZIAGYGMSSA-N 2 0 280.416 -0.038 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCC[NH2+]C3)C2)CC1 ZINC001550117188 923691866 /nfs/dbraw/zinc/69/18/66/923691866.db2.gz XAWNAZJBYNLHKN-KBPBESRZSA-N 2 0 280.416 -0.166 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC23CC(C[NH3+])(C2)C3)C1 ZINC001550118497 923692335 /nfs/dbraw/zinc/69/23/35/923692335.db2.gz ZPHWRJUKTYLUSX-FSDFLBQZSA-N 2 0 253.346 -0.249 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550116728 923692421 /nfs/dbraw/zinc/69/24/21/923692421.db2.gz RDFKILCSQNJPMO-RWMBFGLXSA-N 2 0 268.405 -0.182 20 0 CBADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cn(CCC[NH3+])nn1 ZINC001550122418 923694555 /nfs/dbraw/zinc/69/45/55/923694555.db2.gz GHHINTHBZNZVKA-STQMWFEESA-N 2 0 292.387 -0.064 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001550186582 923706285 /nfs/dbraw/zinc/70/62/85/923706285.db2.gz IMMGPSFNZMWZFZ-UMSGYPCISA-N 2 0 285.388 -0.295 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N[C@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC001550188049 923706356 /nfs/dbraw/zinc/70/63/56/923706356.db2.gz ZKPGZUDGOKJHOV-FRRDWIJNSA-N 2 0 263.341 -0.168 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001550188412 923707979 /nfs/dbraw/zinc/70/79/79/923707979.db2.gz WQXYEANEWHEMLG-RYUDHWBXSA-N 2 0 292.387 -0.244 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC001550189488 923708216 /nfs/dbraw/zinc/70/82/16/923708216.db2.gz ZJOWCUMOGDPAKK-GFCCVEGCSA-N 2 0 265.313 -0.156 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)[C@H]([NH3+])CC3CC3)C2)CC1 ZINC001550191904 923709473 /nfs/dbraw/zinc/70/94/73/923709473.db2.gz CLFXVTPORSDROM-UONOGXRCSA-N 2 0 280.416 -0.038 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001550197568 923709822 /nfs/dbraw/zinc/70/98/22/923709822.db2.gz KHUIACYGNKBYEP-NSHDSACASA-N 2 0 282.388 -0.334 20 0 CBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]([NH3+])CC3CC3)C[C@@H]2[NH3+])c1 ZINC001550196631 923709980 /nfs/dbraw/zinc/70/99/80/923709980.db2.gz YDFDGVREBFGLQL-WOPDTQHZSA-N 2 0 277.372 -0.199 20 0 CBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N2C[C@@H](N)[C@@H]([NH3+])C2)C1 ZINC001550274479 923713345 /nfs/dbraw/zinc/71/33/45/923713345.db2.gz GMQIDCRXEYXCJW-GARJFASQSA-N 2 0 269.393 -0.556 20 0 CBADRP O=C(CN1CCCC[C@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001550244053 923713549 /nfs/dbraw/zinc/71/35/49/923713549.db2.gz SCAWJZYHZJRONG-OAHLLOKOSA-N 2 0 280.416 -0.116 20 0 CBADRP C[C@]12C[NH2+]C[C@@H]1CN(C(=O)NC[C@@H]1C[NH2+]CCCO1)C2 ZINC001550266993 923714627 /nfs/dbraw/zinc/71/46/27/923714627.db2.gz SSICJRDWAHFOOF-MBNYWOFBSA-N 2 0 282.388 -0.384 20 0 CBADRP N[C@@H]1CN(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C[C@@H]1[NH3+] ZINC001550290153 923715677 /nfs/dbraw/zinc/71/56/77/923715677.db2.gz VIKZGIQZIRJARF-MELADBBJSA-N 2 0 289.383 -0.619 20 0 CBADRP [NH3+][C@@H]1COCC[C@H]1NC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550284075 923718081 /nfs/dbraw/zinc/71/80/81/923718081.db2.gz GJJMEQHMESCKJK-ZLOUSURVSA-N 2 0 282.388 -0.068 20 0 CBADRP C[C@]12C[NH2+]C[C@@H]1C[N@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC001550437615 923731026 /nfs/dbraw/zinc/73/10/26/923731026.db2.gz VUMWRPGAQGJYQI-FRRDWIJNSA-N 3 0 251.374 -0.094 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CN1CCNC(=O)CC12C[NH2+]C2 ZINC001550699910 923737545 /nfs/dbraw/zinc/73/75/45/923737545.db2.gz PVBUHIHWWHFDGP-GHMZBOCLSA-N 2 0 252.362 -0.994 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001550721750 923738222 /nfs/dbraw/zinc/73/82/22/923738222.db2.gz PHEHNJUTOJOGMT-NWBUJAPZSA-N 2 0 281.356 -0.905 20 0 CBADRP COCCN1C(=O)N[C@H]2C[N@@H+](CC3CC([NH3+])C3)CC[C@@H]21 ZINC001550704904 923738390 /nfs/dbraw/zinc/73/83/90/923738390.db2.gz PGWDGRUCOIYRMV-TYUFSLCMSA-N 2 0 282.388 -0.162 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001550731511 923740502 /nfs/dbraw/zinc/74/05/02/923740502.db2.gz ASSVOHJIBDFGHS-FRRDWIJNSA-N 2 0 284.404 -0.090 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC001550733506 923741162 /nfs/dbraw/zinc/74/11/62/923741162.db2.gz WFNUTQRCNNFHRN-MBNYWOFBSA-N 2 0 282.388 -0.194 20 0 CBADRP [NH3+][C@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)CC12CCOCC2 ZINC001550740677 923743113 /nfs/dbraw/zinc/74/31/13/923743113.db2.gz GIKMYGIPFIHMKP-AVERBVTBSA-N 2 0 294.399 -0.112 20 0 CBADRP CN(C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCC[NH2+]C1 ZINC001550735491 923744986 /nfs/dbraw/zinc/74/49/86/923744986.db2.gz NLCJMZPQOJGXGV-NEPJUHHUSA-N 2 0 270.377 -0.242 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550755660 923746048 /nfs/dbraw/zinc/74/60/48/923746048.db2.gz KARRSECJAXIHHQ-MNOVXSKESA-N 2 0 270.377 -0.209 20 0 CBADRP [NH3+][C@@H]1CCOC[C@@H]1NC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550750551 923746868 /nfs/dbraw/zinc/74/68/68/923746868.db2.gz MYWBJVNYGKMELZ-LLUNPGSJSA-N 2 0 282.388 -0.068 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001550756219 923748248 /nfs/dbraw/zinc/74/82/48/923748248.db2.gz PJRRVEMZKFIOGQ-RYUDHWBXSA-N 2 0 282.388 -0.112 20 0 CBADRP O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]C[C@H](O)C1 ZINC001550751492 923748431 /nfs/dbraw/zinc/74/84/31/923748431.db2.gz TZJCGTQMUAHQCG-WVMKXHBISA-N 2 0 282.388 -0.507 20 0 CBADRP O=C1CC[C@H]([NH2+]C[C@@H]2C[C@H](F)CN2)[C@H](C2CC[NH2+]CC2)N1 ZINC001550914522 923753400 /nfs/dbraw/zinc/75/34/00/923753400.db2.gz VLDADWNKLPDPQL-ABHRYQDASA-N 3 0 298.406 -0.077 20 0 CBADRP CNC(=O)[C@@]12C[N@@H+]([C@@H]3CC[NH2+]C3)C[C@H]1COCC2 ZINC001551413619 923780286 /nfs/dbraw/zinc/78/02/86/923780286.db2.gz XLMBYBDCBVQKKN-LOWVWBTDSA-N 2 0 253.346 -0.567 20 0 CBADRP CNC(=O)[C@@]12C[N@H+](C[C@@H]3CCC[NH2+]3)C[C@@H]1COCC2 ZINC001551411834 923781548 /nfs/dbraw/zinc/78/15/48/923781548.db2.gz ULRFOLKELPYXKE-DYEKYZERSA-N 2 0 267.373 -0.177 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001551460551 923796516 /nfs/dbraw/zinc/79/65/16/923796516.db2.gz AKXMHBSIWWNHQP-LLVKDONJSA-N 2 0 271.361 -0.669 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2[NH3+])CCO1 ZINC001551512315 923801346 /nfs/dbraw/zinc/80/13/46/923801346.db2.gz ZMXYEGJBTMSNPR-BNOWGMLFSA-N 2 0 290.367 -0.020 20 0 CBADRP [NH3+][C@H]1CC12CC(NC(=O)N[C@H]1C[NH2+]CC13CCOCC3)C2 ZINC001551566309 923801895 /nfs/dbraw/zinc/80/18/95/923801895.db2.gz HCHFKGQXGNZMQW-WVIDZAQPSA-N 2 0 294.399 -0.066 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C(=O)NC1CC2(C[C@@H]2[NH3+])C1 ZINC001551567218 923802625 /nfs/dbraw/zinc/80/26/25/923802625.db2.gz JIWWKDAALOWDNW-ZUXSNHBTSA-N 2 0 268.361 -0.504 20 0 CBADRP CO[C@@H]1C[C@H](C[NH3+])N(C(=O)NC2CC3(C[C@H]3[NH3+])C2)C1 ZINC001551569328 923805404 /nfs/dbraw/zinc/80/54/04/923805404.db2.gz OLSDDPPVVFZJMO-QZGSDSDNSA-N 2 0 268.361 -0.376 20 0 CBADRP CCO[C@@H]1CN(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)C[C@@H]1C[NH3+] ZINC001551576341 923805676 /nfs/dbraw/zinc/80/56/76/923805676.db2.gz POUZFCCQUNCTDW-VKVJQFQGSA-N 2 0 282.388 -0.129 20 0 CBADRP CO[C@@H]1C[C@@H](C[NH3+])N(C(=O)NC2CC3(C[C@H]3[NH3+])C2)C1 ZINC001551569319 923805869 /nfs/dbraw/zinc/80/58/69/923805869.db2.gz OLSDDPPVVFZJMO-LIAJTKMLSA-N 2 0 268.361 -0.376 20 0 CBADRP CN1CCN(C(=O)NC2CC3(C[C@H]3[NH3+])C2)[C@H](C[NH3+])C1 ZINC001551614408 923808066 /nfs/dbraw/zinc/80/80/66/923808066.db2.gz TYSAJHLRSQSJHI-QRVCZOOMSA-N 2 0 267.377 -0.850 20 0 CBADRP C[NH+](C)C[C@H]1CN(C(=O)NC2CC3(C[C@H]3[NH3+])C2)CCO1 ZINC001551595552 923809634 /nfs/dbraw/zinc/80/96/34/923809634.db2.gz ULOMKGXNUBGJQQ-MRFPXMQZSA-N 2 0 282.388 -0.162 20 0 CBADRP C[C@@H]1CN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C[C@@H]1[NH3+] ZINC001552089312 923829396 /nfs/dbraw/zinc/82/93/96/923829396.db2.gz FFNBGRZEYFUAFQ-BBBLOLIVSA-N 2 0 264.333 -0.768 20 0 CBADRP C[C@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[NH+](C)C ZINC001552107237 923835107 /nfs/dbraw/zinc/83/51/07/923835107.db2.gz KPBAQIOGAYUGCS-KGYLQXTDSA-N 2 0 294.403 -0.194 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@@H]2C2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC001552158605 923836350 /nfs/dbraw/zinc/83/63/50/923836350.db2.gz NIYBDIZYCRIQMU-MGPQQGTHSA-N 2 0 280.416 -0.277 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552158654 923837879 /nfs/dbraw/zinc/83/78/79/923837879.db2.gz PMFCRLLHYQVYHB-KGLIPLIRSA-N 2 0 280.416 -0.357 20 0 CBADRP CC(C)([NH3+])CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552161018 923839219 /nfs/dbraw/zinc/83/92/19/923839219.db2.gz KKTSTJWSBDCBGF-MRVPVSSYSA-N 2 0 252.322 -0.720 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552160481 923839363 /nfs/dbraw/zinc/83/93/63/923839363.db2.gz GGMCLSYFTOTWQX-SNVBAGLBSA-N 2 0 280.376 -0.131 20 0 CBADRP [NH3+]C1(CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CCC1 ZINC001552161439 923839814 /nfs/dbraw/zinc/83/98/14/923839814.db2.gz NNBDKWWYVGRQTP-VIFPVBQESA-N 2 0 264.333 -0.576 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N[C@H](C)CC[NH3+])cnn1C ZINC001552162134 923839835 /nfs/dbraw/zinc/83/98/35/923839835.db2.gz WAAYNAIVXJMMTI-JIMOISOXSA-N 2 0 279.388 -0.115 20 0 CBADRP [NH3+]CC1(O)CCN(C(=O)[C@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001552160817 923840052 /nfs/dbraw/zinc/84/00/52/923840052.db2.gz QUAQLAMOGDGAGB-OLZOCXBDSA-N 2 0 281.400 -0.066 20 0 CBADRP O=C(NC[C@H]1CC[NH2+]C1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552160853 923840184 /nfs/dbraw/zinc/84/01/84/923840184.db2.gz IWHLHKZAZVVVQM-UWVGGRQHSA-N 2 0 264.333 -0.848 20 0 CBADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC001552161387 923840539 /nfs/dbraw/zinc/84/05/39/923840539.db2.gz NDBNOTZYGPJVCI-NEPJUHHUSA-N 2 0 290.371 -0.221 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NCC[NH3+])cnn1C ZINC001552162705 923841438 /nfs/dbraw/zinc/84/14/38/923841438.db2.gz FVPXGTBNNOSYLU-WDEREUQCSA-N 2 0 251.334 -0.894 20 0 CBADRP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552163159 923841497 /nfs/dbraw/zinc/84/14/97/923841497.db2.gz LFJVWJNJKMNBOL-MBYGNEARSA-N 2 0 290.371 -0.175 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552162521 923841834 /nfs/dbraw/zinc/84/18/34/923841834.db2.gz ATNPTZMWVHKFTI-CABCVRRESA-N 2 0 294.443 -0.014 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N[C@H]2CC[NH2+]C2)cnn1C ZINC001552163449 923841865 /nfs/dbraw/zinc/84/18/65/923841865.db2.gz PWRLUENRAFGLAF-WCFLWFBJSA-N 2 0 277.372 -0.490 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552162579 923841896 /nfs/dbraw/zinc/84/18/96/923841896.db2.gz BPVBPNUWQWUCPG-NSHDSACASA-N 2 0 278.360 -0.458 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552162633 923842247 /nfs/dbraw/zinc/84/22/47/923842247.db2.gz CEHKSMIKIFGPBY-UWVGGRQHSA-N 2 0 264.333 -0.706 20 0 CBADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NCC[NH3+])cnn1C ZINC001552162702 923842553 /nfs/dbraw/zinc/84/25/53/923842553.db2.gz FVPXGTBNNOSYLU-MNOVXSKESA-N 2 0 251.334 -0.894 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H](F)CN1C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552162540 923843096 /nfs/dbraw/zinc/84/30/96/923843096.db2.gz ASLVNTJAVOLWGX-UTLUCORTSA-N 2 0 282.323 -0.676 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NCC[C@H](C)[NH3+])cnn1C ZINC001552163709 923843112 /nfs/dbraw/zinc/84/31/12/923843112.db2.gz UFJMUFQDAILXJK-XDTLVQLUSA-N 2 0 279.388 -0.115 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552194722 923846885 /nfs/dbraw/zinc/84/68/85/923846885.db2.gz QJBNGHWYUFSKRW-GMXVVIOVSA-N 2 0 253.346 -0.662 20 0 CBADRP [NH3+]Cc1ccccc1CNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552194102 923846926 /nfs/dbraw/zinc/84/69/26/923846926.db2.gz JZKPECGLASMODC-UKRRQHHQSA-N 2 0 275.352 -0.003 20 0 CBADRP [NH3+]Cc1ccccc1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001552194106 923846995 /nfs/dbraw/zinc/84/69/95/923846995.db2.gz JZKPECGLASMODC-ZFWWWQNUSA-N 2 0 275.352 -0.003 20 0 CBADRP O=C(N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552193786 923847011 /nfs/dbraw/zinc/84/70/11/923847011.db2.gz DXHKHFUTZASOIY-NRWUCQMLSA-N 2 0 265.357 -0.425 20 0 CBADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)NC[C@@H]1C[NH2+]CCO1)C2 ZINC001552185052 923847228 /nfs/dbraw/zinc/84/72/28/923847228.db2.gz OUUMBDVWAMLZCQ-DYEKYZERSA-N 2 0 282.388 -0.255 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC001552194526 923847350 /nfs/dbraw/zinc/84/73/50/923847350.db2.gz MFQPQKTZESOHBD-OLZOCXBDSA-N 2 0 296.415 -0.310 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552195211 923847505 /nfs/dbraw/zinc/84/75/05/923847505.db2.gz SNTDSFOQBYJILM-NQBHXWOUSA-N 2 0 253.346 -0.662 20 0 CBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552195413 923847581 /nfs/dbraw/zinc/84/75/81/923847581.db2.gz XDAGUYTYUQCFLP-SRRSOLGSSA-N 2 0 253.346 -0.534 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC[C@@H]1[NH3+] ZINC001552195501 923851399 /nfs/dbraw/zinc/85/13/99/923851399.db2.gz YXXIWERYDHVFIP-DCQANWLSSA-N 2 0 253.346 -0.582 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552199767 923855529 /nfs/dbraw/zinc/85/55/29/923855529.db2.gz DASQMPGYHLQMAI-UQFNBPPOSA-N 2 0 279.384 -0.179 20 0 CBADRP O=C(N1CC[N@@H+]2CCC[C@@H]2C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552200260 923856939 /nfs/dbraw/zinc/85/69/39/923856939.db2.gz FBDISUIALRKLOO-YRGRVCCFSA-N 2 0 265.357 -0.471 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552201622 923858467 /nfs/dbraw/zinc/85/84/67/923858467.db2.gz VDTSQRMTYGKHCU-QVHKTLOISA-N 2 0 279.384 -0.083 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552201732 923859662 /nfs/dbraw/zinc/85/96/62/923859662.db2.gz VDHBHXYCATYHIM-GZBFAFLISA-N 2 0 297.399 -0.551 20 0 CBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552201621 923860811 /nfs/dbraw/zinc/86/08/11/923860811.db2.gz VDTSQRMTYGKHCU-BHPKHCPMSA-N 2 0 279.384 -0.083 20 0 CBADRP CC(C)[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC[NH2+]1 ZINC001552203098 923861879 /nfs/dbraw/zinc/86/18/79/923861879.db2.gz VRHGNPRFXRSGIC-SGMGOOAPSA-N 2 0 267.373 -0.321 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552202209 923862118 /nfs/dbraw/zinc/86/21/18/923862118.db2.gz FAKYAWILTIXTLS-MRBYEJRBSA-N 2 0 253.346 -0.521 20 0 CBADRP CC1(C)C[NH2+][C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001552202772 923862158 /nfs/dbraw/zinc/86/21/58/923862158.db2.gz ONZUACLDQRGXFW-CWSCBRNRSA-N 2 0 253.346 -0.663 20 0 CBADRP C[N@@H+]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552202468 923862561 /nfs/dbraw/zinc/86/25/61/923862561.db2.gz GTSCFZOWOTVSBZ-WCQYABFASA-N 2 0 253.346 -0.614 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC[NH2+]1 ZINC001552202739 923862647 /nfs/dbraw/zinc/86/26/47/923862647.db2.gz NVWYWFZKYUOUNT-LSCVPOLPSA-N 2 0 253.346 -0.521 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCOC2)C[C@@H]1C[NH3+] ZINC001552203705 923864742 /nfs/dbraw/zinc/86/47/42/923864742.db2.gz JKODAMAZBSCAJC-QJPTWQEYSA-N 2 0 271.361 -0.955 20 0 CBADRP O=C(NCCC1CC[NH2+]CC1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552204725 923864941 /nfs/dbraw/zinc/86/49/41/923864941.db2.gz UPAPXBKVRRYDKJ-TZMCWYRMSA-N 2 0 267.373 -0.272 20 0 CBADRP C[NH+](C)[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552204077 923866440 /nfs/dbraw/zinc/86/64/40/923866440.db2.gz ODEXDNCVLSRJKJ-WZRBSPASSA-N 2 0 253.346 -0.615 20 0 CBADRP [NH3+]CC12CCC(CC1)CN2C(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552203746 923866639 /nfs/dbraw/zinc/86/66/39/923866639.db2.gz GHPMHUHFXIXMCQ-UWNPBFMXSA-N 2 0 279.384 -0.048 20 0 CBADRP C[NH+](C)C1CC(CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552210568 923867650 /nfs/dbraw/zinc/86/76/50/923867650.db2.gz GRDSSVGHQYORKL-YFTKGUKSSA-N 2 0 267.373 -0.321 20 0 CBADRP CN(C(=O)[C@@]12C[NH2+]C[C@H]1COC2)[C@H]1CC[N@H+](C)C1 ZINC001552215363 923868452 /nfs/dbraw/zinc/86/84/52/923868452.db2.gz FZDJDOBDQHITEV-GMXVVIOVSA-N 2 0 253.346 -0.615 20 0 CBADRP CN(C(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[C@@H]1CC[N@H+](C)C1 ZINC001552216687 923871492 /nfs/dbraw/zinc/87/14/92/923871492.db2.gz WMNKEEGSLXPIHM-WDEREUQCSA-N 2 0 278.360 -0.411 20 0 CBADRP Cc1c([C@H]2C[NH2+]C[C@H]2C(=O)N(C)CCC[NH3+])cnn1C ZINC001552218681 923872610 /nfs/dbraw/zinc/87/26/10/923872610.db2.gz VPANOYBRDBVBNY-CHWSQXEVSA-N 2 0 279.388 -0.161 20 0 CBADRP C[C@]1(NC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC[NH2+]C1 ZINC001552217035 923872631 /nfs/dbraw/zinc/87/26/31/923872631.db2.gz ZKORJBNIJIPQEC-CABZTGNLSA-N 2 0 264.333 -0.706 20 0 CBADRP CCN(CC[NH3+])C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552271144 923874552 /nfs/dbraw/zinc/87/45/52/923874552.db2.gz HNOFKFJEWUHMKA-VIFPVBQESA-N 2 0 252.322 -0.767 20 0 CBADRP O=C(N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552274485 923876767 /nfs/dbraw/zinc/87/67/67/923876767.db2.gz KXOKBLBDNYWMGN-HNCHTBHHSA-N 2 0 251.330 -0.815 20 0 CBADRP O=C(N[C@@H]1CCCC[NH2+]CC1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552274414 923876938 /nfs/dbraw/zinc/87/69/38/923876938.db2.gz OLIPJKPINQLNTM-YRGRVCCFSA-N 2 0 267.373 -0.129 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552274644 923877030 /nfs/dbraw/zinc/87/70/30/923877030.db2.gz RHDGLKUEFCVTIM-DCAQKATOSA-N 2 0 278.360 -0.317 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552273539 923877264 /nfs/dbraw/zinc/87/72/64/923877264.db2.gz FTHGZPKLXSRNSX-BLFANLJRSA-N 2 0 253.346 -0.521 20 0 CBADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N(C)C[C@@H](C)[NH3+])cnn1C ZINC001552276439 923879973 /nfs/dbraw/zinc/87/99/73/923879973.db2.gz LRDRUVMOYKLYMD-ICCXJUOJSA-N 2 0 279.388 -0.163 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552276070 923880212 /nfs/dbraw/zinc/88/02/12/923880212.db2.gz FXPDNQNSXOHAJY-RKDXNWHRSA-N 2 0 252.322 -0.768 20 0 CBADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N1C[C@H](N)[C@@H]([NH3+])C1 ZINC001552293442 923881958 /nfs/dbraw/zinc/88/19/58/923881958.db2.gz PVRLWLKVIQQDDV-MROQNXINSA-N 2 0 281.404 -0.365 20 0 CBADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N1C[C@@H](N)[C@H]([NH3+])C1 ZINC001552293435 923882932 /nfs/dbraw/zinc/88/29/32/923882932.db2.gz PVRLWLKVIQQDDV-FDYHWXHSSA-N 2 0 281.404 -0.365 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC001552291751 923883166 /nfs/dbraw/zinc/88/31/66/923883166.db2.gz KMWWYUVPJBFOFM-RDBSUJKOSA-N 2 0 295.431 -0.055 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1C[NH2+]CCOC1 ZINC001552284895 923883337 /nfs/dbraw/zinc/88/33/37/923883337.db2.gz FWBCKQXVPQQRFP-ZJUUUORDSA-N 2 0 277.315 -0.417 20 0 CBADRP CC(C)([NH3+])CCNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001552292392 923883737 /nfs/dbraw/zinc/88/37/37/923883737.db2.gz IOTHPXUFCYSACA-GFCCVEGCSA-N 2 0 283.420 -0.197 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001552340885 923888224 /nfs/dbraw/zinc/88/82/24/923888224.db2.gz QXTBRKUPYIMVTC-UTUOFQBUSA-N 2 0 270.377 -0.399 20 0 CBADRP [NH3+]CCC1CC(NC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC001552344712 923888504 /nfs/dbraw/zinc/88/85/04/923888504.db2.gz LZKWCPDIAMIWMQ-HTAVTVPLSA-N 2 0 270.377 -0.127 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001552350309 923891734 /nfs/dbraw/zinc/89/17/34/923891734.db2.gz KQSLFIYVBNKNSM-QWRGUYRKSA-N 2 0 270.377 -0.256 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH2+]C2)C1 ZINC001552418874 923895438 /nfs/dbraw/zinc/89/54/38/923895438.db2.gz AGJMKYOXGQCQNZ-OLZOCXBDSA-N 2 0 296.415 -0.310 20 0 CBADRP Cc1c(C(=O)NCC[C@@H]2CC[NH2+]C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552419323 923895521 /nfs/dbraw/zinc/89/55/21/923895521.db2.gz MVMIRIACBPHSRG-RYUDHWBXSA-N 2 0 292.387 -0.150 20 0 CBADRP Cc1c(C(=O)NC[C@H]2CCC[NH2+]C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552419304 923895895 /nfs/dbraw/zinc/89/58/95/923895895.db2.gz XFJHIZQZLPFEND-RYUDHWBXSA-N 2 0 292.387 -0.150 20 0 CBADRP Cc1c(C(=O)NC[C@H]2CCC[NH2+]2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552418941 923895908 /nfs/dbraw/zinc/89/59/08/923895908.db2.gz BTGHLDZXQVIOHR-GHMZBOCLSA-N 2 0 278.360 -0.397 20 0 CBADRP C[NH2+]CCNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C ZINC001552418906 923896383 /nfs/dbraw/zinc/89/63/83/923896383.db2.gz AXXLKVIOAVZLBU-VIFPVBQESA-N 2 0 252.322 -0.930 20 0 CBADRP C[C@@H]([NH3+])CCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001552419463 923896877 /nfs/dbraw/zinc/89/68/77/923896877.db2.gz XOPMMDMVSVRDHJ-BDAKNGLRSA-N 2 0 251.334 -0.046 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC001552418292 923896977 /nfs/dbraw/zinc/89/69/77/923896977.db2.gz LGFVPFOAVOXZTP-GHMZBOCLSA-N 2 0 278.360 -0.234 20 0 CBADRP Cc1c(C(=O)N[C@@H]2CC[NH2+]C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552418743 923897055 /nfs/dbraw/zinc/89/70/55/923897055.db2.gz MOYZVUYSSZEVKP-ZJUUUORDSA-N 2 0 264.333 -0.787 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)C1 ZINC001552418237 923897158 /nfs/dbraw/zinc/89/71/58/923897158.db2.gz JHXSVTUBIIMUCR-QWRGUYRKSA-N 2 0 278.360 -0.445 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)C1 ZINC001552419203 923897218 /nfs/dbraw/zinc/89/72/18/923897218.db2.gz LKWLBLDKTSMISV-NEPJUHHUSA-N 2 0 292.387 -0.055 20 0 CBADRP Cc1c(C(=O)N[C@@H](C[NH3+])C2CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552420270 923899058 /nfs/dbraw/zinc/89/90/58/923899058.db2.gz OMZPJWTWJRXPPX-MNOVXSKESA-N 2 0 278.360 -0.412 20 0 CBADRP Cc1c(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552420774 923899200 /nfs/dbraw/zinc/89/92/00/923899200.db2.gz QMKCIJVPAMFTCR-JLLWLGSASA-N 2 0 292.387 -0.070 20 0 CBADRP O=C(NC[C@H]1CC[NH2+]C1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001552436590 923903304 /nfs/dbraw/zinc/90/33/04/923903304.db2.gz QUNIHJJDCUECCQ-RYUDHWBXSA-N 2 0 292.387 -0.068 20 0 CBADRP Cc1c(C(=O)N2C[C@H](F)C[C@H]2C[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552436822 923904713 /nfs/dbraw/zinc/90/47/13/923904713.db2.gz RZZPZQJRFSFKIV-VWYCJHECSA-N 2 0 296.350 -0.368 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CCO1 ZINC001552436598 923904865 /nfs/dbraw/zinc/90/48/65/923904865.db2.gz RBAIISSWFFWRAK-ZJUUUORDSA-N 2 0 279.344 -0.714 20 0 CBADRP Cc1c(C(=O)NC[C@H]([NH3+])C2CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552436892 923905161 /nfs/dbraw/zinc/90/51/61/923905161.db2.gz UKMWNXASMHCTLV-MNOVXSKESA-N 2 0 278.360 -0.412 20 0 CBADRP O=C(NCC1C[NH2+]C1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001552437184 923906305 /nfs/dbraw/zinc/90/63/05/923906305.db2.gz ZTUNKMIHXYBBJD-LLVKDONJSA-N 2 0 278.360 -0.458 20 0 CBADRP Cc1c(C(=O)N[C@@H](C)CC[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552437174 923906443 /nfs/dbraw/zinc/90/64/43/923906443.db2.gz ZHUSULGWUGEZJD-WPRPVWTQSA-N 2 0 266.349 -0.412 20 0 CBADRP C[NH+](C)[C@@H]1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC001552437415 923907161 /nfs/dbraw/zinc/90/71/61/923907161.db2.gz XKSGISVSYZSMRE-GFCCVEGCSA-N 2 0 292.387 -0.021 20 0 CBADRP O=C(NCC1C[NH2+]C1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001552437186 923907212 /nfs/dbraw/zinc/90/72/12/923907212.db2.gz ZTUNKMIHXYBBJD-NSHDSACASA-N 2 0 278.360 -0.458 20 0 CBADRP Cc1c(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552437204 923907386 /nfs/dbraw/zinc/90/73/86/923907386.db2.gz LGXBVYJKYNFION-GRYCIOLGSA-N 2 0 290.371 -0.588 20 0 CBADRP Cc1c(C(=O)N[C@H](C)CC[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552437170 923907726 /nfs/dbraw/zinc/90/77/26/923907726.db2.gz ZHUSULGWUGEZJD-SCZZXKLOSA-N 2 0 266.349 -0.412 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C ZINC001552437350 923907988 /nfs/dbraw/zinc/90/79/88/923907988.db2.gz CDOVUVLVPDVJFX-ZJUUUORDSA-N 2 0 266.349 -0.412 20 0 CBADRP Cc1c(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)nnn1[C@@H]1CC[NH2+]C1 ZINC001552437410 923908093 /nfs/dbraw/zinc/90/80/93/923908093.db2.gz CZDXAJCPZKOZHV-UTUOFQBUSA-N 2 0 290.371 -0.445 20 0 CBADRP Cc1c(C(=O)N[C@H](C)C[C@@H](C)[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552442899 923909144 /nfs/dbraw/zinc/90/91/44/923909144.db2.gz VNXGJQLDKWSPCE-FXPVBKGRSA-N 2 0 280.376 -0.023 20 0 CBADRP CN(C(=O)c1cnnn1C1CC[NH2+]CC1)[C@@H]1CC[N@H+](C)C1 ZINC001552440758 923909909 /nfs/dbraw/zinc/90/99/09/923909909.db2.gz SHWATRRFAVEORT-GFCCVEGCSA-N 2 0 292.387 -0.021 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[C@@H]1F ZINC001552440464 923910142 /nfs/dbraw/zinc/91/01/42/923910142.db2.gz VJTNQYSNAMUDFR-WDEREUQCSA-N 2 0 296.350 -0.286 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[C@H]1F ZINC001552440460 923910972 /nfs/dbraw/zinc/91/09/72/923910972.db2.gz VJTNQYSNAMUDFR-GHMZBOCLSA-N 2 0 296.350 -0.286 20 0 CBADRP [NH3+][C@@H]1COCCN(C(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC001552761821 923917944 /nfs/dbraw/zinc/91/79/44/923917944.db2.gz DRMNHMIFLUWAJX-JTQLQIEISA-N 2 0 253.346 -0.166 20 0 CBADRP [NH3+][C@@H]1COCCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC001552762157 923918094 /nfs/dbraw/zinc/91/80/94/923918094.db2.gz HJZJXQRSQURDHG-UWVGGRQHSA-N 2 0 279.344 -0.714 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001552849913 923922854 /nfs/dbraw/zinc/92/28/54/923922854.db2.gz UGFGKMIJSYRECF-MDZLAQPJSA-N 2 0 253.346 -0.377 20 0 CBADRP Cc1c(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)nnn1[C@H]1CC[NH2+]C1 ZINC001552850145 923923448 /nfs/dbraw/zinc/92/34/48/923923448.db2.gz ZNGYYLWYSOISHY-TUAOUCFPSA-N 2 0 290.371 -0.303 20 0 CBADRP C[C@H]1[NH2+]CC[C@H]1NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001552848002 923923942 /nfs/dbraw/zinc/92/39/42/923923942.db2.gz JOHPGCFACIBNHU-MWLCHTKSSA-N 2 0 278.360 -0.317 20 0 CBADRP N[C@@H]1CN(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C[C@H]1[NH3+] ZINC001552961821 923926779 /nfs/dbraw/zinc/92/67/79/923926779.db2.gz WCTOITUXDACUPQ-MGPQQGTHSA-N 2 0 295.431 -0.212 20 0 CBADRP C[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@H]3CCC[NH2+]3)C2)CC1 ZINC001552954905 923926788 /nfs/dbraw/zinc/92/67/88/923926788.db2.gz NESXYRNPLZVIPM-UONOGXRCSA-N 2 0 295.431 -0.230 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001552959415 923927572 /nfs/dbraw/zinc/92/75/72/923927572.db2.gz WOFRIWGMBKDMJH-MELADBBJSA-N 2 0 295.431 -0.232 20 0 CBADRP C[NH+]1CCN([C@H]2CCN(C(=O)N[C@H](C[NH3+])C3CC3)C2)CC1 ZINC001552955241 923927861 /nfs/dbraw/zinc/92/78/61/923927861.db2.gz RRQXLEYVDSNVRV-UONOGXRCSA-N 2 0 295.431 -0.245 20 0 CBADRP N[C@@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)C[C@@H]1[NH3+] ZINC001552973669 923929892 /nfs/dbraw/zinc/92/98/92/923929892.db2.gz UCJBDRCNRNENDQ-PHIMTYICSA-N 2 0 252.387 -0.136 20 0 CBADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001552973074 923931767 /nfs/dbraw/zinc/93/17/67/923931767.db2.gz XVLKWLUTYDAVBH-JHJVBQTASA-N 2 0 276.388 -0.146 20 0 CBADRP CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C[C@@H]21 ZINC001553013785 923936417 /nfs/dbraw/zinc/93/64/17/923936417.db2.gz DRQUOJOXOIGRFV-MELADBBJSA-N 2 0 295.383 -0.704 20 0 CBADRP C1C[C@@H](N[C@H]2C[NH2+]CCOC2)[C@H](C2CC[NH2+]CC2)O1 ZINC001553025228 923936826 /nfs/dbraw/zinc/93/68/26/923936826.db2.gz XIHHPTQBJWRNFJ-MJBXVCDLSA-N 2 0 269.389 -0.279 20 0 CBADRP C1C[C@@H](N[C@@H]2C[NH2+]CCOC2)[C@H](C2CC[NH2+]CC2)O1 ZINC001553025223 923937077 /nfs/dbraw/zinc/93/70/77/923937077.db2.gz XIHHPTQBJWRNFJ-MCIONIFRSA-N 2 0 269.389 -0.279 20 0 CBADRP NC(=O)C12CC(C1)C[N@@H+]2C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC001553304123 923946928 /nfs/dbraw/zinc/94/69/28/923946928.db2.gz ARUPDIDZYBKZFP-BGZAYEDQSA-N 2 0 265.357 -0.295 20 0 CBADRP C[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC(C(N)=O)C1 ZINC001553304205 923947929 /nfs/dbraw/zinc/94/79/29/923947929.db2.gz BNEGRQIUZZEHMC-BUCSNLDVSA-N 2 0 267.373 -0.049 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2COCC3)C1 ZINC001553345473 923950295 /nfs/dbraw/zinc/95/02/95/923950295.db2.gz WKEDGQNHTFWUPH-NQBHXWOUSA-N 2 0 253.346 -0.438 20 0 CBADRP CN1CC[C@]2(C(=O)N3CCC[C@H]([NH3+])C3)C[NH2+]C[C@H]2C1 ZINC001553342451 923950475 /nfs/dbraw/zinc/95/04/75/923950475.db2.gz GHYRWXPECOZIAK-OBJOEFQTSA-N 3 0 266.389 -0.523 20 0 CBADRP O=C(NC1CC[NH2+]CC1)[C@]12C[NH2+]C[C@@H]1CCOC2 ZINC001553342401 923951514 /nfs/dbraw/zinc/95/15/14/923951514.db2.gz DSZYIRLCFRRYLI-GWCFXTLKSA-N 2 0 253.346 -0.519 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@]12C[NH2+]C[C@@H]1CCOC2 ZINC001553351612 923952726 /nfs/dbraw/zinc/95/27/26/923952726.db2.gz FJIVBRFIZPCTBJ-OBJOEFQTSA-N 2 0 267.373 -0.272 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NC[C@H]3CCCC[NH2+]3)C[NH2+]C[C@H]2C1 ZINC001553352002 923953132 /nfs/dbraw/zinc/95/31/32/923953132.db2.gz LWTCJUQQKIMZEY-GUTXKFCHSA-N 3 0 280.416 -0.214 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NCC3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553350765 923953277 /nfs/dbraw/zinc/95/32/77/923953277.db2.gz VKTFOWBHCHHUKA-ZFWWWQNUSA-N 2 0 280.416 -0.357 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(C)CC3)C1 ZINC001553348116 923953908 /nfs/dbraw/zinc/95/39/08/923953908.db2.gz IQXLXTGGVSXHQY-BZPMIXESSA-N 2 0 266.389 -0.652 20 0 CBADRP CN1CC[C@]2(C(=O)N3CCC[C@H](C[NH3+])C3)C[NH2+]C[C@H]2C1 ZINC001553349869 923954166 /nfs/dbraw/zinc/95/41/66/923954166.db2.gz FBPZCTCZWDARJQ-IPYPFGDCSA-N 3 0 280.416 -0.275 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2COCC3)C1 ZINC001553349846 923954353 /nfs/dbraw/zinc/95/43/53/923954353.db2.gz DTYUFCXFXQJSNX-OUCADQQQSA-N 2 0 267.373 -0.190 20 0 CBADRP CN1CC[C@]2(C(=O)N3CCC[C@@H](C[NH3+])C3)C[NH2+]C[C@@H]2C1 ZINC001553349868 923954570 /nfs/dbraw/zinc/95/45/70/923954570.db2.gz FBPZCTCZWDARJQ-GUTXKFCHSA-N 3 0 280.416 -0.275 20 0 CBADRP [NH3+]CC1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COCC3)CC1 ZINC001553348995 923954730 /nfs/dbraw/zinc/95/47/30/923954730.db2.gz LZWKDTSJJMSCFU-OCCSQVGLSA-N 2 0 267.373 -0.190 20 0 CBADRP CN1CC[C@@]2(C(=O)N3CCC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553350044 923954747 /nfs/dbraw/zinc/95/47/47/923954747.db2.gz RNEQJJSWGYNUSA-GXTWGEPZSA-N 3 0 266.389 -0.650 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[NH2+]C[C@@H]2C1 ZINC001553354388 923955649 /nfs/dbraw/zinc/95/56/49/923955649.db2.gz PSQICVDTOMMYKP-IVKUSVFPSA-N 3 0 292.427 -0.073 20 0 CBADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@]12C[NH2+]C[C@@H]1COCC2 ZINC001553353117 923955972 /nfs/dbraw/zinc/95/59/72/923955972.db2.gz GNXDFPXKGWPIKU-MBNYWOFBSA-N 2 0 267.373 -0.129 20 0 CBADRP CN(C(=O)c1csc(N2CC[NH2+]CC2)n1)[C@@H]1CC[NH2+]C1 ZINC001553355852 923956219 /nfs/dbraw/zinc/95/62/19/923956219.db2.gz DLOSFJXHADIIEV-SNVBAGLBSA-N 2 0 295.412 -0.013 20 0 CBADRP [NH3+]C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COCC3)C1 ZINC001553354579 923956353 /nfs/dbraw/zinc/95/63/53/923956353.db2.gz MPAVQKJUJMCPHE-DMDPSCGWSA-N 2 0 253.346 -0.580 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2COCC3)CC[C@@H]1[NH3+] ZINC001553355262 923957488 /nfs/dbraw/zinc/95/74/88/923957488.db2.gz NAAUYLPZEUZHES-NMKXLXIOSA-N 2 0 267.373 -0.192 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCOC3)CC[C@H]1[NH3+] ZINC001553353199 923958344 /nfs/dbraw/zinc/95/83/44/923958344.db2.gz DBGSMPPIRRBLIZ-CZXHOFHRSA-N 2 0 267.373 -0.192 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@]12C[NH2+]C[C@@H]1CCOC2 ZINC001553352053 923958401 /nfs/dbraw/zinc/95/84/01/923958401.db2.gz MVNUROVSIGFZDK-DYEKYZERSA-N 2 0 267.373 -0.272 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)N[C@@H]3CC[NH2+]C3)C[NH2+]C[C@@H]2C1 ZINC001553355165 923958512 /nfs/dbraw/zinc/95/85/12/923958512.db2.gz UHPYSPGMKIGAQP-WZRBSPASSA-N 3 0 252.362 -0.994 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@]23CC[C@@H]2C[NH2+]C3)CCO1 ZINC001553356982 923959720 /nfs/dbraw/zinc/95/97/20/923959720.db2.gz CKXYGZZYBWEBTH-SRRSOLGSSA-N 2 0 253.346 -0.439 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCOC3)C[C@@H](C)[NH2+]1 ZINC001553356455 923959726 /nfs/dbraw/zinc/95/97/26/923959726.db2.gz FYQQBTBLDZIWBU-NMKXLXIOSA-N 2 0 267.373 -0.179 20 0 CBADRP [NH3+]C[C@H](NC(=O)[C@@]12C[NH2+]C[C@H]1CCOC2)C1CC1 ZINC001553359026 923960735 /nfs/dbraw/zinc/96/07/35/923960735.db2.gz SIJFAGDGNZWQHL-NTZNESFSSA-N 2 0 253.346 -0.534 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@]23CC[C@@H]2C[NH2+]C3)CCO1 ZINC001553356979 923960981 /nfs/dbraw/zinc/96/09/81/923960981.db2.gz CKXYGZZYBWEBTH-NOHGZBONSA-N 2 0 253.346 -0.439 20 0 CBADRP C[N@@H+]1CC[C@]2(C(=O)NC[C@H]3CCCO3)C[NH2+]C[C@H]2C1 ZINC001553362678 923963677 /nfs/dbraw/zinc/96/36/77/923963677.db2.gz RPTRCSYESQNCIA-SCRDCRAPSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2COCC3)CCO1 ZINC001553359552 923964530 /nfs/dbraw/zinc/96/45/30/923964530.db2.gz MEKGZKFNDWDSKI-KZVDOYCCSA-N 2 0 283.372 -0.813 20 0 CBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COCC3)C1 ZINC001553360449 923965104 /nfs/dbraw/zinc/96/51/04/923965104.db2.gz ZTZBGRFSVFFZQV-OUCADQQQSA-N 2 0 267.373 -0.320 20 0 CBADRP CN1CCN(C(=O)[C@@H]2C[C@@H]3C[C@H]([NH3+])[C@@H]3C2)[C@@H](C[NH3+])C1 ZINC001553360199 923965972 /nfs/dbraw/zinc/96/59/72/923965972.db2.gz QTNHGZKORVGLNM-LBELIVKGSA-N 2 0 266.389 -0.539 20 0 CBADRP COCCN(C)C(=O)[C@]12C[NH2+]C[C@H]1CN(C)CC2 ZINC001553384509 923968389 /nfs/dbraw/zinc/96/83/89/923968389.db2.gz LVWPWKSEXCUKNN-WCQYABFASA-N 2 0 255.362 -0.368 20 0 CBADRP [NH3+]C1CCC(NC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553401089 923972536 /nfs/dbraw/zinc/97/25/36/923972536.db2.gz FOWDFGMVEUHQHM-UFJRKFNTSA-N 2 0 253.346 -0.108 20 0 CBADRP CCN(CC(=O)N(C)C)C(=O)[C@@]12C[NH2+]C[C@@H]1CN(C)CC2 ZINC001553396836 923972955 /nfs/dbraw/zinc/97/29/55/923972955.db2.gz LMJQQSUNKKQKQZ-DOMZBBRYSA-N 2 0 296.415 -0.536 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553403309 923975181 /nfs/dbraw/zinc/97/51/81/923975181.db2.gz XIGBHYXUURIIQL-SRVKXCTJSA-N 2 0 253.346 -0.284 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001553404345 923976811 /nfs/dbraw/zinc/97/68/11/923976811.db2.gz BIEKVVBMDZLHIH-OWTLIXCDSA-N 2 0 265.357 -0.282 20 0 CBADRP CC(C)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC[NH2+]1 ZINC001553405806 923976920 /nfs/dbraw/zinc/97/69/20/923976920.db2.gz DRAOVYSLRXXMFS-VOAKCMCISA-N 2 0 267.373 -0.038 20 0 CBADRP O=C(NCC[NH+]1CCCC1)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553405764 923977175 /nfs/dbraw/zinc/97/71/75/923977175.db2.gz GXPYTEVVFXUFEP-WOPDTQHZSA-N 2 0 253.346 -0.282 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553405867 923977287 /nfs/dbraw/zinc/97/72/87/923977287.db2.gz FELTULAXUJPGOI-WTPMCQDGSA-N 2 0 253.346 -0.380 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)C(F)(F)F ZINC001553404391 923977418 /nfs/dbraw/zinc/97/74/18/923977418.db2.gz BKUOCBFZVKYINS-JBDRJPRFSA-N 2 0 281.278 -0.098 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)n1 ZINC001553405338 923977680 /nfs/dbraw/zinc/97/76/80/923977680.db2.gz CCRROUAQHVHBQA-WOPDTQHZSA-N 2 0 293.371 -0.097 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553405859 923978486 /nfs/dbraw/zinc/97/84/86/923978486.db2.gz FELTULAXUJPGOI-DGORSVRFSA-N 2 0 253.346 -0.380 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC001553404599 923978709 /nfs/dbraw/zinc/97/87/09/923978709.db2.gz AWUSKIYRIQOWQR-CYDGBPFRSA-N 2 0 265.357 -0.188 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)C(F)F ZINC001553406645 923979484 /nfs/dbraw/zinc/97/94/84/923979484.db2.gz GPSDHJGZGVCXLJ-XGEHTFHBSA-N 2 0 263.288 -0.396 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001553406712 923979555 /nfs/dbraw/zinc/97/95/55/923979555.db2.gz GULPCVIFZNAAFZ-RFGFWPKPSA-N 2 0 294.399 -0.988 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553407932 923980193 /nfs/dbraw/zinc/98/01/93/923980193.db2.gz IFOBDGXBTIJTSN-WHOHXGKFSA-N 2 0 253.346 -0.284 20 0 CBADRP [NH3+]C[C@H](NC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)C(F)(F)F ZINC001553407163 923981256 /nfs/dbraw/zinc/98/12/56/923981256.db2.gz GDFQJQXDHANXFK-KVPKETBZSA-N 2 0 267.251 -0.488 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553408946 923982763 /nfs/dbraw/zinc/98/27/63/923982763.db2.gz KHQBIUPKQBRXHX-ZOBORPQBSA-N 2 0 296.415 -0.742 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CCO1 ZINC001553408991 923983266 /nfs/dbraw/zinc/98/32/66/923983266.db2.gz KLQWPIMCEBBGNJ-NDBYEHHHSA-N 2 0 283.372 -0.705 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553409371 923984561 /nfs/dbraw/zinc/98/45/61/923984561.db2.gz JXKRXHUKBDYSDK-QNWHQSFQSA-N 2 0 283.372 -0.657 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CCO1 ZINC001553408992 923984818 /nfs/dbraw/zinc/98/48/18/923984818.db2.gz KLQWPIMCEBBGNJ-VOAKCMCISA-N 2 0 283.372 -0.705 20 0 CBADRP O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553409056 923985125 /nfs/dbraw/zinc/98/51/25/923985125.db2.gz KYFOIYLRYCXWBO-WISYIIOYSA-N 2 0 253.346 -0.236 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1)N1CC[NH+](C)CC1 ZINC001553410612 923985254 /nfs/dbraw/zinc/98/52/54/923985254.db2.gz OTQVGEKVOSCYSB-ZOBORPQBSA-N 2 0 296.415 -0.742 20 0 CBADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001553408979 923985304 /nfs/dbraw/zinc/98/53/04/923985304.db2.gz KJOIHMSVUBBBSN-PPCPHDFISA-N 2 0 265.357 -0.141 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553412879 923986518 /nfs/dbraw/zinc/98/65/18/923986518.db2.gz VELZUMWHLGEDDC-HHHUOAJASA-N 2 0 253.346 -0.238 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553412286 923986543 /nfs/dbraw/zinc/98/65/43/923986543.db2.gz UHCLLSFUHWHWIK-CSYMLDBXSA-N 2 0 253.346 -0.380 20 0 CBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553412511 923986963 /nfs/dbraw/zinc/98/69/63/923986963.db2.gz USBZTRRHLMRGME-VOAKCMCISA-N 2 0 267.373 -0.036 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553412114 923987025 /nfs/dbraw/zinc/98/70/25/923987025.db2.gz TWIQDPHNWOKRON-HZSPNIEDSA-N 2 0 296.415 -0.741 20 0 CBADRP C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553414350 923988002 /nfs/dbraw/zinc/98/80/02/923988002.db2.gz ZYBCOWMXQXFLRF-SDDRHHMPSA-N 2 0 253.346 -0.284 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553412120 923988076 /nfs/dbraw/zinc/98/80/76/923988076.db2.gz TWIQDPHNWOKRON-IHRRRGAJSA-N 2 0 296.415 -0.741 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553414631 923991382 /nfs/dbraw/zinc/99/13/82/923991382.db2.gz RHEYGSXVOIJATK-PEBLQZBPSA-N 2 0 295.383 -0.515 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553425333 923993074 /nfs/dbraw/zinc/99/30/74/923993074.db2.gz RXBGMIXVTVHVKS-HTFCKZLJSA-N 2 0 253.346 -0.238 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C[C@@H]1C[NH3+] ZINC001553426496 923993742 /nfs/dbraw/zinc/99/37/42/923993742.db2.gz WKWBKXKYPXPMHT-LVEVGFFFSA-N 2 0 253.346 -0.441 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C[C@H]1C[NH3+] ZINC001553425742 923994104 /nfs/dbraw/zinc/99/41/04/923994104.db2.gz TYNYRDUMCHKOSH-NAWOPXAZSA-N 2 0 283.372 -0.672 20 0 CBADRP Nc1cc[nH+]c(CNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)c1 ZINC001553428451 923995368 /nfs/dbraw/zinc/99/53/68/923995368.db2.gz HYYAZPKWMNIHJJ-WOPDTQHZSA-N 2 0 262.313 -0.201 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C[C@H]1C(F)(F)F ZINC001553431070 923997904 /nfs/dbraw/zinc/99/79/04/923997904.db2.gz OMXNFYUAUQUXNB-ZJDVBMNYSA-N 2 0 293.289 -0.146 20 0 CBADRP [NH3+]CC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553432025 923999030 /nfs/dbraw/zinc/99/90/30/923999030.db2.gz QQIMDRZPAREXOF-RHYQMDGZSA-N 2 0 253.346 -0.297 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1CCNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553431984 923999661 /nfs/dbraw/zinc/99/96/61/923999661.db2.gz QMKKACZZSLHAMT-MOLYVOAJSA-N 2 0 267.373 -0.132 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C[C@H]1C(F)(F)F ZINC001553431069 923999728 /nfs/dbraw/zinc/99/97/28/923999728.db2.gz OMXNFYUAUQUXNB-VFCFLDTKSA-N 2 0 293.289 -0.146 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@H]2CC[C@]2([NH3+])C1 ZINC001553448108 924002858 /nfs/dbraw/zinc/00/28/58/924002858.db2.gz LPYTZUGGBNUXPN-NFAWXSAZSA-N 2 0 295.431 -0.245 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001553450172 924003060 /nfs/dbraw/zinc/00/30/60/924003060.db2.gz OTPFXAJXFCRGJF-HIFRSBDPSA-N 2 0 295.431 -0.230 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N1CC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC001553489354 924009260 /nfs/dbraw/zinc/00/92/60/924009260.db2.gz DPSIGHBOYJPCBP-UONOGXRCSA-N 2 0 295.431 -0.325 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N1CC[C@H]2CC[NH2+]C[C@H]2C1 ZINC001553491959 924009727 /nfs/dbraw/zinc/00/97/27/924009727.db2.gz NFLGYIZSAROVGJ-KGLIPLIRSA-N 2 0 295.431 -0.467 20 0 CBADRP [NH3+][C@@]12CC[C@@H]1CN(C(=O)NCCN1CC[NH2+]CC1)C2 ZINC001553491522 924009997 /nfs/dbraw/zinc/00/99/97/924009997.db2.gz LNLFUMZBOQQLDE-DGCLKSJQSA-N 2 0 267.377 -0.976 20 0 CBADRP C[NH2+]CCNC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553493230 924010527 /nfs/dbraw/zinc/01/05/27/924010527.db2.gz ACXBELVJRHHYQD-SNVBAGLBSA-N 2 0 256.350 -0.645 20 0 CBADRP C[C@H](CNC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH3+])C1)[NH+](C)C ZINC001553492583 924011367 /nfs/dbraw/zinc/01/13/67/924011367.db2.gz QQNFGBGXYRSYCA-IJLUTSLNSA-N 2 0 294.403 -0.194 20 0 CBADRP O=C(NC[C@@H]1CC[NH2+]C1)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553498221 924011977 /nfs/dbraw/zinc/01/19/77/924011977.db2.gz RYVFAQLHUGEAED-NEPJUHHUSA-N 2 0 282.388 -0.336 20 0 CBADRP [NH3+]C[C@@H]1[C@H]2CN(C(=O)N[C@@H]3CCCC[NH2+]C3)C[C@H]21 ZINC001553501112 924012285 /nfs/dbraw/zinc/01/22/85/924012285.db2.gz FKBXNXFOONRVOT-KKOKHZNYSA-N 2 0 252.362 -0.025 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553499323 924012550 /nfs/dbraw/zinc/01/25/50/924012550.db2.gz ARHHYAKRLKFMNE-WDEREUQCSA-N 2 0 270.377 -0.127 20 0 CBADRP CC(C)([NH3+])CNC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553497102 924013528 /nfs/dbraw/zinc/01/35/28/924013528.db2.gz OPNFCYCPPOTEBD-JTQLQIEISA-N 2 0 270.377 -0.209 20 0 CBADRP [NH3+][C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)C1CC1 ZINC001553497440 924013770 /nfs/dbraw/zinc/01/37/70/924013770.db2.gz PUUQNUWJTDJNMK-MCIONIFRSA-N 2 0 296.415 -0.036 20 0 CBADRP [NH3+][C@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC12CCC2 ZINC001553500844 924014288 /nfs/dbraw/zinc/01/42/88/924014288.db2.gz DWOHQBBVOBWRFF-QWRGUYRKSA-N 2 0 268.361 -0.502 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553500771 924014468 /nfs/dbraw/zinc/01/44/68/924014468.db2.gz GZSACTSGUOPQSM-CYDGBPFRSA-N 2 0 284.404 -0.037 20 0 CBADRP O=C(NC[C@H]1C[NH2+]CCO1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001553505183 924015316 /nfs/dbraw/zinc/01/53/16/924015316.db2.gz SAKCLNFQXHTTFO-OCCSQVGLSA-N 2 0 282.388 -0.098 20 0 CBADRP C[C@@H](NC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2)[C@H](C)[NH3+] ZINC001553506505 924015783 /nfs/dbraw/zinc/01/57/83/924015783.db2.gz VZLYJKFEJGJWRX-AXFHLTTASA-N 2 0 270.377 -0.129 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001553503249 924016052 /nfs/dbraw/zinc/01/60/52/924016052.db2.gz JUZHYTFWKKPHMC-SDDRHHMPSA-N 2 0 252.362 -0.011 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553504041 924016140 /nfs/dbraw/zinc/01/61/40/924016140.db2.gz QMAJHLAIPVYMGC-QWRGUYRKSA-N 2 0 270.377 -0.209 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001553506979 924016740 /nfs/dbraw/zinc/01/67/40/924016740.db2.gz OVUIJVLYETUSMF-JHJVBQTASA-N 2 0 282.388 -0.411 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553506430 924017564 /nfs/dbraw/zinc/01/75/64/924017564.db2.gz VSQDUZQZMDFYMF-NXEZZACHSA-N 2 0 256.350 -0.517 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)NC1(C2CC[NH2+]CC2)CC1 ZINC001553505217 924018012 /nfs/dbraw/zinc/01/80/12/924018012.db2.gz SLGWJHCNGQJKIC-LBPRGKRZSA-N 2 0 282.388 -0.194 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553510560 924019121 /nfs/dbraw/zinc/01/91/21/924019121.db2.gz QNVRVKACHWPFPS-AVGNSLFASA-N 2 0 284.404 -0.165 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553511531 924019376 /nfs/dbraw/zinc/01/93/76/924019376.db2.gz UGXFVOSRTOUYCQ-QWRGUYRKSA-N 2 0 270.377 -0.256 20 0 CBADRP [NH3+]C1CC(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC001553513007 924019873 /nfs/dbraw/zinc/01/98/73/924019873.db2.gz KTQXBTRUCFIQBM-NWINJMCUSA-N 2 0 296.415 -0.036 20 0 CBADRP [NH3+][C@]12CC[C@H]1CN(C(=O)NCC1([NH3+])CCOCC1)C2 ZINC001553517353 924021183 /nfs/dbraw/zinc/02/11/83/924021183.db2.gz RYEDBUAWSQQKEY-GWCFXTLKSA-N 2 0 268.361 -0.373 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553516122 924021226 /nfs/dbraw/zinc/02/12/26/924021226.db2.gz ZAGJWHMBOCDDBW-YNEHKIRRSA-N 2 0 284.404 -0.036 20 0 CBADRP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553524392 924022573 /nfs/dbraw/zinc/02/25/73/924022573.db2.gz DZOPUMCAGZHYQS-GRYCIOLGSA-N 2 0 282.388 -0.256 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC001553518059 924022663 /nfs/dbraw/zinc/02/26/63/924022663.db2.gz UTNQHSKEKGZRPF-UPJWGTAASA-N 2 0 282.388 -0.242 20 0 CBADRP [NH3+][C@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)CC12CCOCC2 ZINC001553517477 924023379 /nfs/dbraw/zinc/02/33/79/924023379.db2.gz SUSAMAHBMFQFES-NEPJUHHUSA-N 2 0 298.387 -0.876 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@]12CCC[C@H]1C[NH2+]C2 ZINC001553519315 924023762 /nfs/dbraw/zinc/02/37/62/924023762.db2.gz YGRVASJKOJQKME-DMDPSCGWSA-N 2 0 268.361 -0.584 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553517618 924023799 /nfs/dbraw/zinc/02/37/99/924023799.db2.gz MMNXDVNNEQHWGZ-XDQVBPFNSA-N 2 0 296.415 -0.023 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC001553528147 924024778 /nfs/dbraw/zinc/02/47/78/924024778.db2.gz LNXYGSLXYJMEKF-OAHLLOKOSA-N 2 0 295.431 -0.053 20 0 CBADRP N[C@@H]1CN(C(=O)N2CC[C@@H]3CC[NH2+]C[C@H]3C2)C[C@H]1[NH3+] ZINC001553532146 924025167 /nfs/dbraw/zinc/02/51/67/924025167.db2.gz UQHCAUYDIOBIPE-NNYUYHANSA-N 2 0 267.377 -0.992 20 0 CBADRP [NH3+]C1CCN(CCNC(=O)N2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001553529981 924025959 /nfs/dbraw/zinc/02/59/59/924025959.db2.gz PUYINKORLRFVFI-SMDDNHRTSA-N 2 0 281.404 -0.458 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553527896 924026163 /nfs/dbraw/zinc/02/61/63/924026163.db2.gz KNBDHHODHMHZAY-FRRDWIJNSA-N 2 0 296.415 -0.090 20 0 CBADRP [NH3+]CC1(CNC(=O)N2C[C@H]([NH3+])C3(C2)CCOCC3)CC1 ZINC001553534380 924026993 /nfs/dbraw/zinc/02/69/93/924026993.db2.gz YBTXOZOKOMKYSV-NSHDSACASA-N 2 0 282.388 -0.125 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@H]1F)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553543069 924028166 /nfs/dbraw/zinc/02/81/66/924028166.db2.gz KKRISOVXCSKNOE-MXWKQRLJSA-N 2 0 286.351 -0.636 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001553544602 924028185 /nfs/dbraw/zinc/02/81/85/924028185.db2.gz QTVINBQBOURMSQ-BTQIBKBOSA-N 2 0 256.325 -0.120 20 0 CBADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N1CC[C@H]2CC[NH2+]C[C@H]2C1 ZINC001553541039 924028280 /nfs/dbraw/zinc/02/82/80/924028280.db2.gz DLHJKNXYBAPUKI-NOOOWODRSA-N 2 0 270.352 -0.063 20 0 CBADRP [NH3+]CC1CC(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC001553537179 924029457 /nfs/dbraw/zinc/02/94/57/924029457.db2.gz FUGUJBNRVSXLLO-HOAMVYINSA-N 2 0 296.415 -0.036 20 0 CBADRP [NH3+]Cc1nccnc1N1CCC([NH2+]CCO)CC1 ZINC001559143182 924211315 /nfs/dbraw/zinc/21/13/15/924211315.db2.gz NHVNCQQRSNTNJS-UHFFFAOYSA-N 2 0 251.334 -0.514 20 0 CBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000423736803 282095194 /nfs/dbraw/zinc/09/51/94/282095194.db2.gz CAGIIAPCJSXERH-CHWSQXEVSA-N 2 0 285.388 -0.456 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC1CC[NH+](C)CC1 ZINC000337587847 214169806 /nfs/dbraw/zinc/16/98/06/214169806.db2.gz AZEMXVPPCZTCCR-ZDUSSCGKSA-N 2 0 272.393 -0.308 20 0 CBADRP CC1CCC([NH+]2CCN(C(=O)CNC(=O)C[NH3+])CC2)CC1 ZINC000125238690 187175973 /nfs/dbraw/zinc/17/59/73/187175973.db2.gz WBKVNCWSNWPYIE-UHFFFAOYSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CCCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000125301010 187178326 /nfs/dbraw/zinc/17/83/26/187178326.db2.gz YYSYNANOIXUOCM-GFCCVEGCSA-N 2 0 255.362 -0.081 20 0 CBADRP C[NH+](C)C[C@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)CCO1 ZINC000343842023 282138569 /nfs/dbraw/zinc/13/85/69/282138569.db2.gz AIBLOBXFOFDHLD-RYUDHWBXSA-N 2 0 255.362 -0.225 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000337413045 282141999 /nfs/dbraw/zinc/14/19/99/282141999.db2.gz ODIBBGVFLHVPFS-WCQYABFASA-N 2 0 272.393 -0.308 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000337830979 214278505 /nfs/dbraw/zinc/27/85/05/214278505.db2.gz ZBTZRXQFWMODKM-UHFFFAOYSA-N 2 0 270.377 -0.734 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000337834398 214279421 /nfs/dbraw/zinc/27/94/21/214279421.db2.gz CMFKEVADWXVMSL-QWRGUYRKSA-N 2 0 268.361 -0.806 20 0 CBADRP CN(C)S(=O)(=O)CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000230992426 282157964 /nfs/dbraw/zinc/15/79/64/282157964.db2.gz MQUAVPIEBIQMOF-MNOVXSKESA-N 2 0 263.407 -0.015 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)CNC(=O)C[NH3+])Cc1ccccc1 ZINC000347618611 282171280 /nfs/dbraw/zinc/17/12/80/282171280.db2.gz XEDKXEJEFWIJEB-CYBMUJFWSA-N 2 0 292.383 -0.650 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000419835286 290645102 /nfs/dbraw/zinc/64/51/02/290645102.db2.gz UWYRWNFYLSNBOI-ZDUSSCGKSA-N 2 0 298.431 -0.098 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC(C)(C)C[NH+](C)C ZINC000126059270 187214362 /nfs/dbraw/zinc/21/43/62/187214362.db2.gz QDBBMNKPASQKDK-LBPRGKRZSA-N 2 0 286.420 -0.210 20 0 CBADRP C[NH+](C)[C@@H]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000332137468 282200622 /nfs/dbraw/zinc/20/06/22/282200622.db2.gz LLJDNHKYHGDQKJ-NWDGAFQWSA-N 2 0 292.387 -0.021 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC([NH+](C)C)CC1 ZINC000126130395 187218787 /nfs/dbraw/zinc/21/87/87/187218787.db2.gz NPTUZWLLGQNFHW-ZDUSSCGKSA-N 2 0 284.404 -0.362 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC(C)(C)[NH+](C)C ZINC000126236946 187226201 /nfs/dbraw/zinc/22/62/01/187226201.db2.gz PZRRCKRNZSFEHQ-NSHDSACASA-N 2 0 272.393 -0.458 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)CC[NH+](C)C ZINC000126266597 187228296 /nfs/dbraw/zinc/22/82/96/187228296.db2.gz YKHRRUBZSFVBOD-JQWIXIFHSA-N 2 0 272.393 -0.458 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000573443099 334938225 /nfs/dbraw/zinc/93/82/25/334938225.db2.gz ZMNUQAIKWNFUBY-GFCCVEGCSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000351515876 219110860 /nfs/dbraw/zinc/11/08/60/219110860.db2.gz DCZACLWHIQSAAY-PWSUYJOCSA-N 2 0 280.372 -0.793 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000573487699 334941577 /nfs/dbraw/zinc/94/15/77/334941577.db2.gz JMPYBQGVTQBLRW-GUBZILKMSA-N 2 0 257.334 -0.490 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000351530229 219116213 /nfs/dbraw/zinc/11/62/13/219116213.db2.gz ADDWCXGSCBHURI-AVGNSLFASA-N 2 0 294.399 -0.402 20 0 CBADRP CC1CC[NH+](CCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351532992 219118078 /nfs/dbraw/zinc/11/80/78/219118078.db2.gz ABJVLOCESDCYQC-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)C[NH+](C)C2CC2)[C@H](C)C1 ZINC000351584826 219135923 /nfs/dbraw/zinc/13/59/23/219135923.db2.gz XEWRCDDSMWMKQE-IPYPFGDCSA-N 2 0 285.432 -0.172 20 0 CBADRP CN(CC(=O)NC1CC1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433141639 282353106 /nfs/dbraw/zinc/35/31/06/282353106.db2.gz PSSTYZDXXWUONT-UHFFFAOYSA-N 2 0 296.415 -0.073 20 0 CBADRP C[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCN2CCC3)CC1 ZINC000378451995 530047512 /nfs/dbraw/zinc/04/75/12/530047512.db2.gz SQPUCMBPMWUREG-CQSZACIVSA-N 2 0 278.400 -0.246 20 0 CBADRP C[C@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)CC[NH+]1CCO ZINC000351611698 219145983 /nfs/dbraw/zinc/14/59/83/219145983.db2.gz RWZRFTTVWOWOTD-GXTWGEPZSA-N 2 0 271.405 -0.560 20 0 CBADRP C[C@@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)CC[NH+]1CCO ZINC000351611701 219146256 /nfs/dbraw/zinc/14/62/56/219146256.db2.gz RWZRFTTVWOWOTD-OCCSQVGLSA-N 2 0 271.405 -0.560 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419895497 282445153 /nfs/dbraw/zinc/44/51/53/282445153.db2.gz OXELPAKESNCDBP-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000351763258 219199483 /nfs/dbraw/zinc/19/94/83/219199483.db2.gz OGFMFEUUTRSVOB-STQMWFEESA-N 2 0 268.405 -0.180 20 0 CBADRP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357089219 295766901 /nfs/dbraw/zinc/76/69/01/295766901.db2.gz YQGQLPKPFUPHFR-ONGXEEELSA-N 2 0 268.361 -0.109 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000351853187 219227356 /nfs/dbraw/zinc/22/73/56/219227356.db2.gz OERWMTWVSIMAIB-VXGBXAGGSA-N 2 0 255.362 -0.096 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418364843 282974915 /nfs/dbraw/zinc/97/49/15/282974915.db2.gz HHZHEHSDJWOSIU-NEPJUHHUSA-N 2 0 269.393 -0.669 20 0 CBADRP C[C@](C[NH3+])(NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000573803069 334967491 /nfs/dbraw/zinc/96/74/91/334967491.db2.gz DOUHDLFOLVKWKZ-ZWNOBZJWSA-N 2 0 268.361 -0.902 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000352003312 219283957 /nfs/dbraw/zinc/28/39/57/219283957.db2.gz LCFQWBFGBLVEKW-WCQYABFASA-N 2 0 286.420 -0.082 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)[C@@H](C)C[N@@H+]1C ZINC000352023964 219293319 /nfs/dbraw/zinc/29/33/19/219293319.db2.gz BVTIZAPZEFGLHS-RDBSUJKOSA-N 2 0 280.416 -0.073 20 0 CBADRP C[NH+]1CCN(CCNC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000090949096 180071170 /nfs/dbraw/zinc/07/11/70/180071170.db2.gz XPWMNMIVJWSCJC-UHFFFAOYSA-N 2 0 297.428 -0.379 20 0 CBADRP C[NH+]1CCN(CCNC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000091135389 180103762 /nfs/dbraw/zinc/10/37/62/180103762.db2.gz YFLSQWSPOJNQHT-LBPRGKRZSA-N 2 0 286.445 -0.555 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000091300373 180127731 /nfs/dbraw/zinc/12/77/31/180127731.db2.gz VISVJCYAWHDIRU-NWDGAFQWSA-N 2 0 255.362 -0.177 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668158 180223842 /nfs/dbraw/zinc/22/38/42/180223842.db2.gz BNXRJKWPXBCNNV-UTUOFQBUSA-N 2 0 255.362 -0.051 20 0 CBADRP O=C(C[NH2+]CC1CC1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668196 180223860 /nfs/dbraw/zinc/22/38/60/180223860.db2.gz MDRUUKSDCNKWIS-OLZOCXBDSA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000092135648 180332447 /nfs/dbraw/zinc/33/24/47/180332447.db2.gz WUECPPSNZMAXAD-LBPRGKRZSA-N 2 0 256.394 -0.404 20 0 CBADRP COC[C@]1(CNC(=O)C[C@@H]2C[NH2+]CCO2)CCC[NH2+]1 ZINC000573844216 334970997 /nfs/dbraw/zinc/97/09/97/334970997.db2.gz QYGKOPBJKPOHCP-DGCLKSJQSA-N 2 0 271.361 -0.750 20 0 CBADRP CCNC(=O)NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000110649825 186310364 /nfs/dbraw/zinc/31/03/64/186310364.db2.gz NBGNDGOBHUCTCE-VIFPVBQESA-N 2 0 256.350 -0.109 20 0 CBADRP C[C@H]([NH3+])C1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000110651039 186310644 /nfs/dbraw/zinc/31/06/44/186310644.db2.gz IMULVJMAOQBKJK-JTQLQIEISA-N 2 0 280.372 -0.357 20 0 CBADRP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000032022758 351378026 /nfs/dbraw/zinc/37/80/26/351378026.db2.gz AYZDDJLPUKTQPF-TXEJJXNPSA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+]1CCN(CCNC(=O)CC[NH2+]C2CC2)CC1 ZINC000037760041 351402386 /nfs/dbraw/zinc/40/23/86/351402386.db2.gz LWSKKIJZHDNNTK-UHFFFAOYSA-N 2 0 254.378 -0.508 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000037760024 351402510 /nfs/dbraw/zinc/40/25/10/351402510.db2.gz UBNJLOHBCMFXMR-GFCCVEGCSA-N 2 0 254.378 -0.650 20 0 CBADRP C[NH+]1CCN(CCNC(=O)C[NH2+]CC2CC2)CC1 ZINC000037760093 351402601 /nfs/dbraw/zinc/40/26/01/351402601.db2.gz RIHXNSWMTUSOIK-UHFFFAOYSA-N 2 0 254.378 -0.650 20 0 CBADRP CC1CC[NH+](CCCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000040833009 351419361 /nfs/dbraw/zinc/41/93/61/351419361.db2.gz SBMIDZYWNMXRBL-OLZOCXBDSA-N 2 0 269.389 -0.053 20 0 CBADRP C[NH2+][C@@H](C)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000054076102 351532742 /nfs/dbraw/zinc/53/27/42/351532742.db2.gz XWJLMWCVAGBLKT-STQMWFEESA-N 2 0 270.421 -0.018 20 0 CBADRP CC[C@]1(C(=O)NCCN2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000062894011 351576887 /nfs/dbraw/zinc/57/68/87/351576887.db2.gz ASPUAACBPHUAOP-AWEZNQCLSA-N 2 0 268.405 -0.260 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000062856128 351576892 /nfs/dbraw/zinc/57/68/92/351576892.db2.gz UIVVUQRLYOLTQS-AWEZNQCLSA-N 2 0 268.405 -0.260 20 0 CBADRP O=C(C(=O)N1CC[NH2+]CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062983198 351577769 /nfs/dbraw/zinc/57/77/69/351577769.db2.gz DTMUAYBTFCUOKE-CYBMUJFWSA-N 2 0 294.399 -0.495 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000062983190 351578217 /nfs/dbraw/zinc/57/82/17/351578217.db2.gz OGEDQZYWVJKXQB-GFCCVEGCSA-N 2 0 282.388 -0.639 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000063179609 351580121 /nfs/dbraw/zinc/58/01/21/351580121.db2.gz KZXMBGSLJGWIAY-LBPRGKRZSA-N 2 0 296.415 -0.168 20 0 CBADRP CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180354 351580348 /nfs/dbraw/zinc/58/03/48/351580348.db2.gz PUKHPARKHVWSTI-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccno2)C1 ZINC000063180241 351580535 /nfs/dbraw/zinc/58/05/35/351580535.db2.gz BXZTUHMCYKJNCR-SNVBAGLBSA-N 2 0 252.318 -0.039 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000063178672 351580707 /nfs/dbraw/zinc/58/07/07/351580707.db2.gz QPJRDUBVFDGROF-RYUDHWBXSA-N 2 0 255.362 -0.190 20 0 CBADRP CC(=O)N1CCN(C(=O)C[NH+]2CCC(CC[NH3+])CC2)CC1 ZINC000070188353 351636462 /nfs/dbraw/zinc/63/64/62/351636462.db2.gz AOYUMNUPINQHPY-UHFFFAOYSA-N 2 0 296.415 -0.262 20 0 CBADRP C[C@H]([NH3+])CCC(=O)NCCCN1CC[NH+](C)CC1 ZINC000070317398 351638761 /nfs/dbraw/zinc/63/87/61/351638761.db2.gz SIMVTQICRSBWGC-LBPRGKRZSA-N 2 0 256.394 -0.133 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)NCC[NH+]2CCCC2)CC1=O ZINC000072826362 351650100 /nfs/dbraw/zinc/65/01/00/351650100.db2.gz XAABLBSXBXLHCM-CYBMUJFWSA-N 2 0 296.415 -0.392 20 0 CBADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000068807505 351621715 /nfs/dbraw/zinc/62/17/15/351621715.db2.gz TUTQCKZGCZAJKM-WCQYABFASA-N 2 0 256.394 -0.134 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000068807905 351623556 /nfs/dbraw/zinc/62/35/56/351623556.db2.gz OMAADEHKVOOILV-DGCLKSJQSA-N 2 0 254.378 -0.652 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079521718 351693204 /nfs/dbraw/zinc/69/32/04/351693204.db2.gz KFEUDJNPYXFNCO-YPMHNXCESA-N 2 0 254.378 -0.510 20 0 CBADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@H](C)C(=O)NC)CC1 ZINC000081526941 351707703 /nfs/dbraw/zinc/70/77/03/351707703.db2.gz ORXFBPQZMTXVPK-LBPRGKRZSA-N 2 0 298.431 -0.099 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000081292174 351704394 /nfs/dbraw/zinc/70/43/94/351704394.db2.gz JMEBNCONMPILBD-ZDUSSCGKSA-N 2 0 280.416 -0.023 20 0 CBADRP CSCC[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000083441357 351714891 /nfs/dbraw/zinc/71/48/91/351714891.db2.gz DOLDCTFILSJMOB-JTQLQIEISA-N 2 0 260.407 -0.912 20 0 CBADRP COC(=O)[C@@H]1C[C@@H]1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000103213029 351786554 /nfs/dbraw/zinc/78/65/54/351786554.db2.gz AEEVCIDXMZOYDG-NWDGAFQWSA-N 2 0 285.388 -0.253 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000092957072 351755191 /nfs/dbraw/zinc/75/51/91/351755191.db2.gz ZNBSPUYMDZYNIT-TUAOUCFPSA-N 2 0 254.378 -0.654 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000094648499 351763915 /nfs/dbraw/zinc/76/39/15/351763915.db2.gz RIQXKSFLRDPSNG-YNEHKIRRSA-N 2 0 268.405 -0.264 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000094569161 351764611 /nfs/dbraw/zinc/76/46/11/351764611.db2.gz UDTZBHHJKULOFK-OLZOCXBDSA-N 2 0 285.388 -0.327 20 0 CBADRP CN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCC[NH+]1C ZINC000119367128 351833253 /nfs/dbraw/zinc/83/32/53/351833253.db2.gz XFQQLTOJLXGDLE-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CC(=O)N[C@@H](C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000112904029 351811305 /nfs/dbraw/zinc/81/13/05/351811305.db2.gz XKECNRMJKHUROT-NSHDSACASA-N 2 0 272.393 -0.537 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1nccnc1N ZINC000114688167 351817837 /nfs/dbraw/zinc/81/78/37/351817837.db2.gz VJXLHDCUMBNXQJ-UHFFFAOYSA-N 2 0 280.376 -0.376 20 0 CBADRP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)NC(N)=O)CCN1C ZINC000123985749 351854817 /nfs/dbraw/zinc/85/48/17/351854817.db2.gz CMHXXQOECAUJGD-ZJUUUORDSA-N 2 0 256.350 -0.014 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@H]1[NH2+]CCc2ccccc21 ZINC000125885955 351857688 /nfs/dbraw/zinc/85/76/88/351857688.db2.gz ISXAZCYMOIOFFJ-HNNXBMFYSA-N 2 0 288.395 -0.105 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000126426214 351860757 /nfs/dbraw/zinc/86/07/57/351860757.db2.gz GQWLVCPTDNYAOC-DYEKYZERSA-N 2 0 296.415 -0.219 20 0 CBADRP C[NH2+]CCN(C)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000120663576 351841996 /nfs/dbraw/zinc/84/19/96/351841996.db2.gz PPAHFADLJADVDX-LLVKDONJSA-N 2 0 270.377 -0.926 20 0 CBADRP CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000129089133 351868729 /nfs/dbraw/zinc/86/87/29/351868729.db2.gz YLGIWJNKFAVBKD-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH+]1CCC(CNC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000129156026 351868949 /nfs/dbraw/zinc/86/89/49/351868949.db2.gz VBFKSBYCKMXRBM-LBPRGKRZSA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000129327044 351869375 /nfs/dbraw/zinc/86/93/75/351869375.db2.gz NTHSECGZWUICAZ-NEPJUHHUSA-N 2 0 255.362 -0.083 20 0 CBADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCN1C(=O)CNC1=O ZINC000123724126 187106298 /nfs/dbraw/zinc/10/62/98/187106298.db2.gz GWHIFLFPGKKYRR-SNVBAGLBSA-N 2 0 256.350 -0.157 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2CCC[NH2+]C2)CC1=O ZINC000129980443 351876121 /nfs/dbraw/zinc/87/61/21/351876121.db2.gz BFVWIMLNGNXDCY-OLZOCXBDSA-N 2 0 296.415 -0.488 20 0 CBADRP CN1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)[C@@H](C[NH3+])C1 ZINC000136809222 351920708 /nfs/dbraw/zinc/92/07/08/351920708.db2.gz ATMZFJLGBBTDHT-RYUDHWBXSA-N 3 0 266.389 -0.523 20 0 CBADRP NC(=O)NC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150762650 351931361 /nfs/dbraw/zinc/93/13/61/351931361.db2.gz MDZWOTBYVUPXBL-NSHDSACASA-N 2 0 268.361 -0.011 20 0 CBADRP CC[N@H+](C)CCNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131279919 351884944 /nfs/dbraw/zinc/88/49/44/351884944.db2.gz BXEXSQYTBGWEDA-UHFFFAOYSA-N 2 0 256.394 -0.262 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000132164118 351891117 /nfs/dbraw/zinc/89/11/17/351891117.db2.gz CUWVAVVPNXRIHM-NEPJUHHUSA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@@H](CNC(=O)NCC[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000133756224 351901020 /nfs/dbraw/zinc/90/10/20/351901020.db2.gz FGWWYYFGAMJTNL-ZDUSSCGKSA-N 2 0 285.436 -0.269 20 0 CBADRP CC[C@]1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCC[NH2+]1 ZINC000134367029 351905511 /nfs/dbraw/zinc/90/55/11/351905511.db2.gz DCMKKUKOBKRCIK-SWLSCSKDSA-N 2 0 296.415 -0.168 20 0 CBADRP CN1CCN(C(=O)CCC2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000154530138 351946997 /nfs/dbraw/zinc/94/69/97/351946997.db2.gz SOFZXLKJGCMHPX-CYBMUJFWSA-N 2 0 268.405 -0.133 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000171202292 352009122 /nfs/dbraw/zinc/00/91/22/352009122.db2.gz ALQDHCOQMZPTRQ-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000157556322 351956562 /nfs/dbraw/zinc/95/65/62/351956562.db2.gz GEPKTJBGXZSCEK-QWRGUYRKSA-N 2 0 268.361 -0.901 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000158559257 351958867 /nfs/dbraw/zinc/95/88/67/351958867.db2.gz PCGANMCJTUBJLG-TUAOUCFPSA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH2+]C[C@H](C)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000167411065 351989785 /nfs/dbraw/zinc/98/97/85/351989785.db2.gz PBMDIXFAKDDXIE-ZDUSSCGKSA-N 2 0 296.415 -0.392 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000167719731 351990363 /nfs/dbraw/zinc/99/03/63/351990363.db2.gz WSZYDKIQQXMSQB-WXHSDQCUSA-N 2 0 267.373 -0.158 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CC[NH+](C)C ZINC000176339587 352064237 /nfs/dbraw/zinc/06/42/37/352064237.db2.gz IDTITKYECVKCAD-CYBMUJFWSA-N 2 0 285.436 -0.175 20 0 CBADRP COCC[NH2+]CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186496164 352127546 /nfs/dbraw/zinc/12/75/46/352127546.db2.gz DMOJZUIOQFROEW-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000178872211 352084729 /nfs/dbraw/zinc/08/47/29/352084729.db2.gz QUFGQCHJEMDUEH-CYBMUJFWSA-N 2 0 272.368 -0.558 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000178877572 352084766 /nfs/dbraw/zinc/08/47/66/352084766.db2.gz RQMNTPSSCKZQRK-ZIAGYGMSSA-N 2 0 282.432 -0.014 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000178881763 352084928 /nfs/dbraw/zinc/08/49/28/352084928.db2.gz DZISNPACJAXFMX-OLZOCXBDSA-N 2 0 268.405 -0.119 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCCS(N)(=O)=O ZINC000179291310 352089184 /nfs/dbraw/zinc/08/91/84/352089184.db2.gz ALPWDEIWXRVQJB-UHFFFAOYSA-N 2 0 292.449 -0.766 20 0 CBADRP OCCN(CC(O)C[N@H+](CCO)C1CC1)C1CC1 ZINC000181780443 352101234 /nfs/dbraw/zinc/10/12/34/352101234.db2.gz GRJPHKIVUWSTBB-UHFFFAOYSA-N 2 0 258.362 -0.739 20 0 CBADRP [NH3+]CCOc1ccc(NC(=O)[C@H]2C[NH2+]CCO2)cc1 ZINC000183245718 352108222 /nfs/dbraw/zinc/10/82/22/352108222.db2.gz MEKRWDUWHBMLMX-GFCCVEGCSA-N 2 0 265.313 -0.049 20 0 CBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCC[NH2+]CCOC)C1(C)C ZINC000188286356 352150402 /nfs/dbraw/zinc/15/04/02/352150402.db2.gz NPUIOIFBDMZTIS-BXUZGUMPSA-N 2 0 287.404 -0.129 20 0 CBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000188277111 352150785 /nfs/dbraw/zinc/15/07/85/352150785.db2.gz LOVWVHLOLLZJDK-UONOGXRCSA-N 2 0 298.431 -0.635 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000191868133 352193946 /nfs/dbraw/zinc/19/39/46/352193946.db2.gz NZEBRWCDZJXLNO-NOOOWODRSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000192109280 352196363 /nfs/dbraw/zinc/19/63/63/352196363.db2.gz KECHHPURGIUMHY-STQMWFEESA-N 2 0 296.415 -0.264 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000187945771 352143853 /nfs/dbraw/zinc/14/38/53/352143853.db2.gz CRPUFNTYYUQARS-ADEWGFFLSA-N 2 0 255.362 -0.038 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000187901485 352143999 /nfs/dbraw/zinc/14/39/99/352143999.db2.gz MITVSFYBRJWCEX-XDQVBPFNSA-N 2 0 299.415 -0.021 20 0 CBADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H](OC)C[NH2+]2)C1 ZINC000187930805 352144153 /nfs/dbraw/zinc/14/41/53/352144153.db2.gz LJGXLBSNMDPSIP-GRYCIOLGSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H](C)[NH3+] ZINC000192109285 352196608 /nfs/dbraw/zinc/19/66/08/352196608.db2.gz KECHHPURGIUMHY-OLZOCXBDSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000188193292 352148605 /nfs/dbraw/zinc/14/86/05/352148605.db2.gz DOTKTGZSQNLFOX-VXGBXAGGSA-N 2 0 255.362 -0.083 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188254132 352149339 /nfs/dbraw/zinc/14/93/39/352149339.db2.gz GMFRFWOQCDQJNB-VXGBXAGGSA-N 2 0 273.377 -0.552 20 0 CBADRP C[C@@H](CS(C)(=O)=O)[NH2+]CCOCC[NH+](C)C ZINC000219322231 352237161 /nfs/dbraw/zinc/23/71/61/352237161.db2.gz OXDLPPVJHUICBT-JTQLQIEISA-N 2 0 252.380 -0.413 20 0 CBADRP CC[N@H+](CCNC(=O)C[C@@H]1COCC[NH2+]1)C1CC1 ZINC000219932829 352238321 /nfs/dbraw/zinc/23/83/21/352238321.db2.gz PQZYWKDXLQRLLC-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000220319357 352239311 /nfs/dbraw/zinc/23/93/11/352239311.db2.gz IZUMVXVNGRNMJE-IJLUTSLNSA-N 2 0 255.362 -0.348 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000193310234 352204337 /nfs/dbraw/zinc/20/43/37/352204337.db2.gz HVEWZBZQLQBMAB-ZDUSSCGKSA-N 2 0 296.415 -0.120 20 0 CBADRP Cn1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(=O)n(C)c1=O ZINC000227327499 352256555 /nfs/dbraw/zinc/25/65/55/352256555.db2.gz MREOUWULQAIJOK-UHFFFAOYSA-N 2 0 294.399 -0.095 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000227343864 352256561 /nfs/dbraw/zinc/25/65/61/352256561.db2.gz RQWIZHPXMBVTAE-CHWSQXEVSA-N 2 0 294.399 -0.639 20 0 CBADRP O=C(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000227575452 352257935 /nfs/dbraw/zinc/25/79/35/352257935.db2.gz WFNRVPCCBONVLC-AAEUAGOBSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C([C@H]1COCCN1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000227784395 352258965 /nfs/dbraw/zinc/25/89/65/352258965.db2.gz WWSSIUXZLSXKLN-VXGBXAGGSA-N 2 0 253.346 -0.329 20 0 CBADRP CN(CC(=O)N1CCOCC1)C[C@@H]1CCC[NH2+]C1 ZINC000226436125 352253199 /nfs/dbraw/zinc/25/31/99/352253199.db2.gz ZMZGJVLLVDVWKC-GFCCVEGCSA-N 2 0 255.362 -0.223 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000232116667 352279695 /nfs/dbraw/zinc/27/96/95/352279695.db2.gz DDSFWWVZHQLDPY-CQSZACIVSA-N 2 0 299.415 -0.079 20 0 CBADRP COCC1(C(=O)NCCOCC[NH+](C)C)CC[NH2+]CC1 ZINC000234607859 352283447 /nfs/dbraw/zinc/28/34/47/352283447.db2.gz PPDWEJYGISWMGB-UHFFFAOYSA-N 2 0 287.404 -0.303 20 0 CBADRP C[C@@H]1CN(C)CC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000235471581 352287876 /nfs/dbraw/zinc/28/78/76/352287876.db2.gz WYHRDJHUKAANAC-GFCCVEGCSA-N 2 0 254.378 -0.556 20 0 CBADRP CC(C)[C@@H](C(=O)NCCCN1CC[NH2+]CC1)[NH+](C)C ZINC000236710977 352293277 /nfs/dbraw/zinc/29/32/77/352293277.db2.gz ZCPGXOUOEXIWKK-ZDUSSCGKSA-N 2 0 270.421 -0.016 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000236871041 352294651 /nfs/dbraw/zinc/29/46/51/352294651.db2.gz WBIPVHUYTQQMCC-STQMWFEESA-N 2 0 268.405 -0.167 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH2+]C)CC1=O ZINC000236831584 352294779 /nfs/dbraw/zinc/29/47/79/352294779.db2.gz FPKRHJNHQXGFPT-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[NH2+]C1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000237080777 352298701 /nfs/dbraw/zinc/29/87/01/352298701.db2.gz HUWUWKVINBMJTA-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+]1CCN(c2cc(C(=O)NCCC[NH3+])ccn2)CC1 ZINC000237140318 352299371 /nfs/dbraw/zinc/29/93/71/352299371.db2.gz YCYLQYAHCJZGTM-UHFFFAOYSA-N 2 0 277.372 -0.088 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCCCC[NH3+])CC1=O ZINC000237155426 352300328 /nfs/dbraw/zinc/30/03/28/352300328.db2.gz DANMPGRZGJJJKE-NSHDSACASA-N 2 0 270.377 -0.748 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H](C[NH3+])C2CC2)CC1=O ZINC000237161127 352300482 /nfs/dbraw/zinc/30/04/82/352300482.db2.gz SFQIHRZFYCHIAR-NWDGAFQWSA-N 2 0 282.388 -0.750 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@](C)(C[NH3+])C2CC2)CC1=O ZINC000237162443 352300788 /nfs/dbraw/zinc/30/07/88/352300788.db2.gz GMLUSGLJPFQQAQ-ABAIWWIYSA-N 2 0 296.415 -0.360 20 0 CBADRP COCC[NH2+]CC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000237242789 352302122 /nfs/dbraw/zinc/30/21/22/352302122.db2.gz NZISEQSWGVAZDK-UHFFFAOYSA-N 2 0 269.349 -0.381 20 0 CBADRP C[NH+]1CCN(c2cc(C(=O)N3CC[NH2+]CC3)ccn2)CC1 ZINC000237236732 352302549 /nfs/dbraw/zinc/30/25/49/352302549.db2.gz VLIYNHNRUXFKKG-UHFFFAOYSA-N 2 0 289.383 -0.121 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000237403415 352303768 /nfs/dbraw/zinc/30/37/68/352303768.db2.gz ALVKKSJVEJIYPR-JHJVBQTASA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@@]1(C(=O)NCCCN2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000237492445 352305628 /nfs/dbraw/zinc/30/56/28/352305628.db2.gz HOMGZCHBADJITN-CQSZACIVSA-N 2 0 268.405 -0.212 20 0 CBADRP C[C@@H]([NH3+])C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000237467269 352306252 /nfs/dbraw/zinc/30/62/52/352306252.db2.gz LZQKHUAEABYRPG-LLVKDONJSA-N 2 0 277.372 -0.203 20 0 CBADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000237666211 352308245 /nfs/dbraw/zinc/30/82/45/352308245.db2.gz OSAURQQLFGKNPN-RQJABVFESA-N 2 0 299.415 -0.285 20 0 CBADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000237666709 352308468 /nfs/dbraw/zinc/30/84/68/352308468.db2.gz OSAURQQLFGKNPN-XJFOESAGSA-N 2 0 299.415 -0.285 20 0 CBADRP C[C@]1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC[NH2+]C1 ZINC000237748456 352309206 /nfs/dbraw/zinc/30/92/06/352309206.db2.gz FOPFMVXAZGUVLQ-FZMZJTMJSA-N 2 0 282.388 -0.701 20 0 CBADRP [NH3+]C[C@H](C(=O)NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000237816709 352309997 /nfs/dbraw/zinc/30/99/97/352309997.db2.gz ASTJUEPRWIYPTE-AWEZNQCLSA-N 2 0 276.384 -0.250 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000237973948 352312101 /nfs/dbraw/zinc/31/21/01/352312101.db2.gz HEMQJZKYBKMJSW-QWHCGFSZSA-N 2 0 268.405 -0.085 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000238080464 352313616 /nfs/dbraw/zinc/31/36/16/352313616.db2.gz ZODATWCROXGTQV-HNNXBMFYSA-N 2 0 288.395 -0.278 20 0 CBADRP O=C(C[NH2+]C1CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000238157975 352314634 /nfs/dbraw/zinc/31/46/34/352314634.db2.gz KEYZXWBZRUEJHN-LBPRGKRZSA-N 2 0 267.373 -0.081 20 0 CBADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC000245468237 352321256 /nfs/dbraw/zinc/32/12/56/352321256.db2.gz SUYGBJPDGAXQBI-NWDGAFQWSA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@H](O)CN1CCN(C(=O)[C@H]2CSCN2)C[C@@H]1C ZINC000246501538 352333339 /nfs/dbraw/zinc/33/33/39/352333339.db2.gz PWHCTPYAFKEBOY-GARJFASQSA-N 2 0 273.402 -0.438 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@H]2CSCN2)CC[N@@H+]1C[C@H](C)O ZINC000246504801 352333462 /nfs/dbraw/zinc/33/34/62/352333462.db2.gz QCZJSUJNICKFRI-QJPTWQEYSA-N 2 0 287.429 -0.048 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CSCN2)C[C@H]1N1CCOCC1 ZINC000246531913 352334996 /nfs/dbraw/zinc/33/49/96/352334996.db2.gz RXMAFQJRQJIFFX-IJLUTSLNSA-N 2 0 285.413 -0.172 20 0 CBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000261889882 352399455 /nfs/dbraw/zinc/39/94/55/352399455.db2.gz VFIPRVQYAMSXDE-UPJWGTAASA-N 2 0 296.415 -0.408 20 0 CBADRP CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250276082 352371961 /nfs/dbraw/zinc/37/19/61/352371961.db2.gz INVMHHKMMPEITO-QWHCGFSZSA-N 2 0 296.415 -0.297 20 0 CBADRP CN(C)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250354866 352372282 /nfs/dbraw/zinc/37/22/82/352372282.db2.gz YEKGKFFTRYWWNN-QWHCGFSZSA-N 2 0 296.415 -0.345 20 0 CBADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[NH2+]CCO1 ZINC000251017829 352374341 /nfs/dbraw/zinc/37/43/41/352374341.db2.gz DNSGQYWHXRDMLB-CMPLNLGQSA-N 2 0 253.346 -0.425 20 0 CBADRP C[C@H](C(N)=O)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000251072774 352374511 /nfs/dbraw/zinc/37/45/11/352374511.db2.gz ZFILTRYOZCBNDE-IJLUTSLNSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CNC(=O)C[NH3+] ZINC000251781019 352374776 /nfs/dbraw/zinc/37/47/76/352374776.db2.gz MXSGKILQFYSWEZ-MNOVXSKESA-N 2 0 268.361 -0.854 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000252616040 352378311 /nfs/dbraw/zinc/37/83/11/352378311.db2.gz ZNBSPUYMDZYNIT-SDDRHHMPSA-N 2 0 254.378 -0.654 20 0 CBADRP COC[C@]1(C(=O)NCC[N@H+](C)C2CC2)CC[NH2+]C1 ZINC000261585220 352390082 /nfs/dbraw/zinc/39/00/82/352390082.db2.gz SVXZWYPONAOWMQ-ZDUSSCGKSA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000261608871 352391138 /nfs/dbraw/zinc/39/11/38/352391138.db2.gz BOVARVFRYIUGGB-NEPJUHHUSA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@@H]([NH3+])C(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000261782864 352396513 /nfs/dbraw/zinc/39/65/13/352396513.db2.gz LFSBSYSRSZLLBJ-LLVKDONJSA-N 2 0 265.361 -0.198 20 0 CBADRP CCN1CCO[C@H](C(=O)NCC2(COC)CC[NH2+]CC2)C1 ZINC000261808913 352397606 /nfs/dbraw/zinc/39/76/06/352397606.db2.gz WPHRGXDXPOTRBR-ZDUSSCGKSA-N 2 0 299.415 -0.161 20 0 CBADRP CCN1CCO[C@H](C(=O)N[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000248894998 352356974 /nfs/dbraw/zinc/35/69/74/352356974.db2.gz XFRFUMFYBFHMGI-WOPDTQHZSA-N 2 0 255.362 -0.036 20 0 CBADRP CCN1CCO[C@H](C(=O)N[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000248894994 352357525 /nfs/dbraw/zinc/35/75/25/352357525.db2.gz XFRFUMFYBFHMGI-SRVKXCTJSA-N 2 0 255.362 -0.036 20 0 CBADRP CC[C@@H]1CN(C(=O)[C@H]([NH3+])COC)C[C@H]1N1CCOCC1 ZINC000262212751 352410035 /nfs/dbraw/zinc/41/00/35/352410035.db2.gz FBGKORFKOCMJJH-JHJVBQTASA-N 2 0 285.388 -0.471 20 0 CBADRP NC(=O)CC[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262252679 352412398 /nfs/dbraw/zinc/41/23/98/352412398.db2.gz WZBWNKXSMUPZND-ZDUSSCGKSA-N 2 0 296.415 -0.214 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)C[C@H]1COCC[NH2+]1)C1CC1 ZINC000262312798 352415341 /nfs/dbraw/zinc/41/53/41/352415341.db2.gz DAGRZXGIMVAKFX-RYUDHWBXSA-N 2 0 255.362 -0.179 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H]2COCC[NH2+]2)C[C@H]1C ZINC000262338437 352417457 /nfs/dbraw/zinc/41/74/57/352417457.db2.gz HPXVUYOPFMJLFH-AGIUHOORSA-N 2 0 285.388 -0.722 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262417706 352421078 /nfs/dbraw/zinc/42/10/78/352421078.db2.gz RIXNQUWPLSHAEU-OLZOCXBDSA-N 2 0 285.388 -0.408 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262417704 352421158 /nfs/dbraw/zinc/42/11/58/352421158.db2.gz RIXNQUWPLSHAEU-CHWSQXEVSA-N 2 0 285.388 -0.408 20 0 CBADRP [NH3+]CC(=O)NCC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000262411652 352421238 /nfs/dbraw/zinc/42/12/38/352421238.db2.gz PKJPGCGGLHERDH-UHFFFAOYSA-N 2 0 296.415 -0.025 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000262417709 352421269 /nfs/dbraw/zinc/42/12/69/352421269.db2.gz RIXNQUWPLSHAEU-QWHCGFSZSA-N 2 0 285.388 -0.408 20 0 CBADRP C[C@H](C[NH3+])C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000262463565 352422074 /nfs/dbraw/zinc/42/20/74/352422074.db2.gz XNGYYOSQUDTGKN-LLVKDONJSA-N 2 0 256.394 -0.277 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000262447444 352422676 /nfs/dbraw/zinc/42/26/76/352422676.db2.gz UHERHYBXYOENSU-JHJVBQTASA-N 2 0 269.389 -0.054 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000262545949 352425039 /nfs/dbraw/zinc/42/50/39/352425039.db2.gz SAOUNZIILVHDPW-YNEHKIRRSA-N 2 0 285.388 -0.818 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC2CC[NH2+]CC2)CC1=O ZINC000262523150 352425383 /nfs/dbraw/zinc/42/53/83/352425383.db2.gz YJORDPPBDUXNFN-NSHDSACASA-N 2 0 282.388 -0.735 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000262525598 352425443 /nfs/dbraw/zinc/42/54/43/352425443.db2.gz KTCUPYWOPGGNEL-NWDGAFQWSA-N 2 0 256.394 -0.277 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000262525600 352425722 /nfs/dbraw/zinc/42/57/22/352425722.db2.gz KTCUPYWOPGGNEL-VXGBXAGGSA-N 2 0 256.394 -0.277 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC[C@@H]2CC[NH2+]C2)CC1=O ZINC000262595691 352427561 /nfs/dbraw/zinc/42/75/61/352427561.db2.gz USKRJQIBLVKVJH-STQMWFEESA-N 2 0 296.415 -0.488 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000262599283 352427687 /nfs/dbraw/zinc/42/76/87/352427687.db2.gz XMWBIKGCIDLRBI-ZIAGYGMSSA-N 2 0 299.415 -0.162 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC[C@H]2CC[NH2+]C2)CC1=O ZINC000262595689 352427761 /nfs/dbraw/zinc/42/77/61/352427761.db2.gz USKRJQIBLVKVJH-OLZOCXBDSA-N 2 0 296.415 -0.488 20 0 CBADRP C[NH2+]CC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000262674254 352430728 /nfs/dbraw/zinc/43/07/28/352430728.db2.gz QROQZLLROQCRLG-UHFFFAOYSA-N 2 0 255.362 -0.223 20 0 CBADRP [NH3+]CCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000263066511 352437940 /nfs/dbraw/zinc/43/79/40/352437940.db2.gz WABZTOXCRUVUPB-RYUDHWBXSA-N 2 0 254.378 -0.475 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000263225768 352439711 /nfs/dbraw/zinc/43/97/11/352439711.db2.gz GKTKIZGIMSQYNI-QKCSRTOESA-N 2 0 296.415 -0.315 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000261953125 352401806 /nfs/dbraw/zinc/40/18/06/352401806.db2.gz KFLUMVKOMXJLII-CQSZACIVSA-N 2 0 268.405 -0.179 20 0 CBADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H]1CCN(C2CC2)C1 ZINC000262067686 352405120 /nfs/dbraw/zinc/40/51/20/352405120.db2.gz JQONSCFGSZNJQX-CQSZACIVSA-N 2 0 280.416 -0.023 20 0 CBADRP C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)C1=CC[N@H+](C)CC1 ZINC000289555196 352663908 /nfs/dbraw/zinc/66/39/08/352663908.db2.gz IRRRASCJDQYWCB-GFCCVEGCSA-N 2 0 296.415 -0.227 20 0 CBADRP Cn1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(=O)n(C)c1=O ZINC000292843014 352685919 /nfs/dbraw/zinc/68/59/19/352685919.db2.gz SIBZWTIBWWQLGF-OAHLLOKOSA-N 2 0 292.383 -0.388 20 0 CBADRP O[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@@H](O)C2)C1 ZINC000304786584 352747383 /nfs/dbraw/zinc/74/73/83/352747383.db2.gz IMNWMMGSUDJJFV-ZIAGYGMSSA-N 2 0 272.389 -0.084 20 0 CBADRP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000310133663 352757800 /nfs/dbraw/zinc/75/78/00/352757800.db2.gz IHWQBVNQFXIYIT-LLVKDONJSA-N 2 0 263.407 -0.061 20 0 CBADRP CN(C)S(=O)(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310758116 352761632 /nfs/dbraw/zinc/76/16/32/352761632.db2.gz AIICOWCEHNCSJL-TXEJJXNPSA-N 2 0 275.418 -0.191 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000311104521 352765813 /nfs/dbraw/zinc/76/58/13/352765813.db2.gz SUNIFRQUPFMXSX-RYUDHWBXSA-N 2 0 255.362 -0.097 20 0 CBADRP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000311092251 352765869 /nfs/dbraw/zinc/76/58/69/352765869.db2.gz ZBMYWWOQDARPIF-SRVKXCTJSA-N 2 0 257.378 -0.115 20 0 CBADRP C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000311996374 352772897 /nfs/dbraw/zinc/77/28/97/352772897.db2.gz PHKHJUGJLPJZMO-RYUDHWBXSA-N 2 0 291.417 -0.764 20 0 CBADRP [NH3+]CCC[C@@H](NC(=O)CNC(=O)C[NH3+])c1ccccc1 ZINC000573919472 334977186 /nfs/dbraw/zinc/97/71/86/334977186.db2.gz MHVCYLXIPPRYDZ-GFCCVEGCSA-N 2 0 278.356 -0.342 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@H](C)C[NH2+]1 ZINC000331377073 352910347 /nfs/dbraw/zinc/91/03/47/352910347.db2.gz HHKONHFRLXFXMR-IJLUTSLNSA-N 2 0 294.399 -0.452 20 0 CBADRP CC1(C)CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]1 ZINC000331377054 352910516 /nfs/dbraw/zinc/91/05/16/352910516.db2.gz HGNRGHXTTWGIER-LLVKDONJSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[C@@H](C)C[NH2+]1 ZINC000331377075 352910531 /nfs/dbraw/zinc/91/05/31/352910531.db2.gz HHKONHFRLXFXMR-WOPDTQHZSA-N 2 0 294.399 -0.452 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)C1 ZINC000331389116 352911139 /nfs/dbraw/zinc/91/11/39/352911139.db2.gz AFRRAMWRQJGWEW-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C[N@@H+]1C1CC1 ZINC000331392671 352911869 /nfs/dbraw/zinc/91/18/69/352911869.db2.gz MUJGTFXBXAOBCB-IJLUTSLNSA-N 2 0 294.399 -0.452 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000331462742 352916909 /nfs/dbraw/zinc/91/69/09/352916909.db2.gz NDLCACAFTVBJCF-LBPRGKRZSA-N 2 0 282.388 -0.511 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000331524523 352921354 /nfs/dbraw/zinc/92/13/54/352921354.db2.gz VRRDVWJJWJXCAZ-CYBMUJFWSA-N 2 0 296.415 -0.344 20 0 CBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000331524525 352921469 /nfs/dbraw/zinc/92/14/69/352921469.db2.gz VRRDVWJJWJXCAZ-ZDUSSCGKSA-N 2 0 296.415 -0.344 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000331589491 352926737 /nfs/dbraw/zinc/92/67/37/352926737.db2.gz GMPYTXSWRJYKFJ-NEPJUHHUSA-N 2 0 280.372 -0.839 20 0 CBADRP CN1CCO[C@@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000332833171 352987847 /nfs/dbraw/zinc/98/78/47/352987847.db2.gz VKSXTQLKLXKXIB-YPMHNXCESA-N 2 0 282.388 -0.147 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)C1 ZINC000332196650 352939324 /nfs/dbraw/zinc/93/93/24/352939324.db2.gz CMZOTCSBBMUUSY-JHJVBQTASA-N 2 0 294.399 -0.498 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)C[C@H]1[NH3+] ZINC000332263760 352941278 /nfs/dbraw/zinc/94/12/78/352941278.db2.gz UCSLYROOHNFELN-MROQNXINSA-N 2 0 294.399 -0.513 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000332320814 352944275 /nfs/dbraw/zinc/94/42/75/352944275.db2.gz OSTIGPLNWMGJAN-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC[NH2+]1 ZINC000332592171 352968567 /nfs/dbraw/zinc/96/85/67/352968567.db2.gz AUACFHPYRCNYME-VXGBXAGGSA-N 2 0 280.372 -0.887 20 0 CBADRP CN1CCO[C@@H](C(=O)N[C@@H]2CCn3ccnc3C2)C1 ZINC000332997323 352994890 /nfs/dbraw/zinc/99/48/90/352994890.db2.gz FGEISWZJHHYSEG-GHMZBOCLSA-N 2 0 264.329 -0.355 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)NCCN2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000333422282 353000686 /nfs/dbraw/zinc/00/06/86/353000686.db2.gz SRIHMWXKBNWBAB-OLZOCXBDSA-N 2 0 295.431 -0.184 20 0 CBADRP CN(C(=O)NCC[N@H+](C)C1CCCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333603697 353005617 /nfs/dbraw/zinc/00/56/17/353005617.db2.gz PTPCSDJNRPCQLJ-STQMWFEESA-N 2 0 284.404 -0.165 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CCC[NH2+]2)CCO1 ZINC000333660897 353007373 /nfs/dbraw/zinc/00/73/73/353007373.db2.gz LNZBEYVXGJAOPL-VXGBXAGGSA-N 2 0 270.377 -0.290 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(CCO)C[C@H]1C ZINC000333764671 353009832 /nfs/dbraw/zinc/00/98/32/353009832.db2.gz BBMWBYGZYSUPCO-UPJWGTAASA-N 2 0 284.404 -0.308 20 0 CBADRP CC[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@@H+]1CCOC ZINC000333763147 353009959 /nfs/dbraw/zinc/00/99/59/353009959.db2.gz AUFNRGHPYXXSLT-MQYQWHSLSA-N 2 0 296.415 -0.044 20 0 CBADRP C[C@@H]1CN(C(=O)NCCN2CC[NH2+]CC2)C[C@H](C)[N@H+]1C ZINC000333863296 353012856 /nfs/dbraw/zinc/01/28/56/353012856.db2.gz SNDJSDBVKIHNLK-BETUJISGSA-N 2 0 283.420 -0.374 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000333940035 353014267 /nfs/dbraw/zinc/01/42/67/353014267.db2.gz NSXATRBPVQTAHZ-KGLIPLIRSA-N 2 0 295.431 -0.182 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000333940037 353014314 /nfs/dbraw/zinc/01/43/14/353014314.db2.gz NSXATRBPVQTAHZ-ZIAGYGMSSA-N 2 0 295.431 -0.182 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333949255 353014572 /nfs/dbraw/zinc/01/45/72/353014572.db2.gz XCDORWGQNQCLDR-KGLIPLIRSA-N 2 0 295.431 -0.230 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000336828413 353061432 /nfs/dbraw/zinc/06/14/32/353061432.db2.gz PJTLRAZBLGZQDK-WCQYABFASA-N 2 0 286.420 -0.068 20 0 CBADRP C[N@H+](C[C@H](O)CN1CC[NH+](CC(C)(C)O)CC1)C1CC1 ZINC000336837661 353062728 /nfs/dbraw/zinc/06/27/28/353062728.db2.gz MEHOHYFJKXKEEC-AWEZNQCLSA-N 2 0 285.432 -0.170 20 0 CBADRP COCCN1CC[C@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000336903414 353064760 /nfs/dbraw/zinc/06/47/60/353064760.db2.gz VEFLJIIKIDVFGQ-ZDUSSCGKSA-N 2 0 259.394 -0.125 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000337438282 353082904 /nfs/dbraw/zinc/08/29/04/353082904.db2.gz XIASWAMYTSUQFN-AAEUAGOBSA-N 2 0 274.409 -0.062 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)C1([NH3+])CCOCC1 ZINC000338140062 353086406 /nfs/dbraw/zinc/08/64/06/353086406.db2.gz SJKXIFQUGMIHTJ-UHFFFAOYSA-N 2 0 273.377 -0.421 20 0 CBADRP CNS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342102298 353219047 /nfs/dbraw/zinc/21/90/47/353219047.db2.gz LVOFPDASYGJJGR-TUAOUCFPSA-N 2 0 275.418 -0.015 20 0 CBADRP COC(=O)c1cn(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)nn1 ZINC000342807023 353233553 /nfs/dbraw/zinc/23/35/53/353233553.db2.gz VKQYIJAKCBMZLU-GHMZBOCLSA-N 2 0 281.360 -0.006 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000342715184 353228747 /nfs/dbraw/zinc/22/87/47/353228747.db2.gz CJFSNDAOLVQADP-GHMZBOCLSA-N 2 0 269.345 -0.427 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000342736211 353230526 /nfs/dbraw/zinc/23/05/26/353230526.db2.gz MTVXKRJBVSPCDU-ONGXEEELSA-N 2 0 269.345 -0.380 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343179484 353257656 /nfs/dbraw/zinc/25/76/56/353257656.db2.gz LAQNBLKOJONMQF-KGLIPLIRSA-N 2 0 280.416 -0.023 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000343433908 353272813 /nfs/dbraw/zinc/27/28/13/353272813.db2.gz WFEFLROEXDKBAZ-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP O=C(NCCNc1cc[nH+]cc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343199419 353259435 /nfs/dbraw/zinc/25/94/35/353259435.db2.gz BBTHONJFQQLGRM-CQSZACIVSA-N 2 0 289.383 -0.579 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000343226936 353261063 /nfs/dbraw/zinc/26/10/63/353261063.db2.gz QDUYLTATXLPZFM-QWHCGFSZSA-N 2 0 266.389 -0.556 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000343294876 353265442 /nfs/dbraw/zinc/26/54/42/353265442.db2.gz KBDWCILOUBVSBE-CYBMUJFWSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343310231 353266745 /nfs/dbraw/zinc/26/67/45/353266745.db2.gz MXKUVCCCJCMOBG-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343326669 353268269 /nfs/dbraw/zinc/26/82/69/353268269.db2.gz YJJBNFDJYTYFSO-OLZOCXBDSA-N 2 0 266.389 -0.413 20 0 CBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000343611881 353280957 /nfs/dbraw/zinc/28/09/57/353280957.db2.gz YPAMYEGXVAFVKK-AVGNSLFASA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000343638924 353282403 /nfs/dbraw/zinc/28/24/03/353282403.db2.gz KJDAUNWGYRBBIQ-VXGBXAGGSA-N 2 0 277.372 -0.090 20 0 CBADRP CC[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCC[NH2+]1 ZINC000343770672 353290489 /nfs/dbraw/zinc/29/04/89/353290489.db2.gz TUQLODZGYPCLEH-WFASDCNBSA-N 2 0 296.415 -0.025 20 0 CBADRP Cc1nc(N[C@H](C)C[NH+](C)C)nc(N[C@H](C)C[NH+](C)C)n1 ZINC000343794136 353291351 /nfs/dbraw/zinc/29/13/51/353291351.db2.gz OTMBGSNWEWRLBH-GHMZBOCLSA-N 2 0 295.435 -0.252 20 0 CBADRP CC[NH+]1CCN(CC(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000346127369 353362598 /nfs/dbraw/zinc/36/25/98/353362598.db2.gz VMBZZESOQBJPBR-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP C[NH+](C)CCCCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000346129176 353362808 /nfs/dbraw/zinc/36/28/08/353362808.db2.gz MGGDQOPRIJDYED-CYBMUJFWSA-N 2 0 298.431 -0.146 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000346157624 353364714 /nfs/dbraw/zinc/36/47/14/353364714.db2.gz CBZNCLAEZHLLSQ-NWDGAFQWSA-N 2 0 284.404 -0.537 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000347187530 353396184 /nfs/dbraw/zinc/39/61/84/353396184.db2.gz CDXJGFKPWGCDRM-QWRGUYRKSA-N 2 0 280.372 -0.357 20 0 CBADRP C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCN3CCC4)C2)C1 ZINC000346325503 353370923 /nfs/dbraw/zinc/37/09/23/353370923.db2.gz NXFKHWUXNBPOPL-ZBFHGGJFSA-N 2 0 292.427 -0.070 20 0 CBADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCN3CCC4)C2)C1 ZINC000346325498 353371043 /nfs/dbraw/zinc/37/10/43/353371043.db2.gz NXFKHWUXNBPOPL-GDBMZVCRSA-N 2 0 292.427 -0.070 20 0 CBADRP CC(C)NC(=O)CN(C)CC(=O)NCCCC[NH+](C)C ZINC000346478776 353379250 /nfs/dbraw/zinc/37/92/50/353379250.db2.gz GLXGNPLNANVXHC-UHFFFAOYSA-N 2 0 286.420 -0.099 20 0 CBADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000346674724 353389587 /nfs/dbraw/zinc/38/95/87/353389587.db2.gz IYCIWHQPDNZGFQ-LBPRGKRZSA-N 2 0 282.388 -0.111 20 0 CBADRP CC[C@H]1CN(C(=O)CCOC2C[NH2+]C2)CC[N@@H+]1CCOC ZINC000348992727 353443718 /nfs/dbraw/zinc/44/37/18/353443718.db2.gz ITEACZPCOGAXGC-ZDUSSCGKSA-N 2 0 299.415 -0.066 20 0 CBADRP C[C@H](CNC(=O)CCOC1C[NH2+]C1)N1CC[NH+](C)CC1 ZINC000348992427 353444112 /nfs/dbraw/zinc/44/41/12/353444112.db2.gz IECYNDDYZHYPRA-GFCCVEGCSA-N 2 0 284.404 -0.883 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000349006985 353445011 /nfs/dbraw/zinc/44/50/11/353445011.db2.gz UTXWQGRPFNEORR-UHFFFAOYSA-N 2 0 298.431 -0.491 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCOC2C[NH2+]C2)C1 ZINC000349032598 353445707 /nfs/dbraw/zinc/44/57/07/353445707.db2.gz XRNOGXZAEKDLOJ-AWEZNQCLSA-N 2 0 299.415 -0.162 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000349639111 353457956 /nfs/dbraw/zinc/45/79/56/353457956.db2.gz RCULNOIPPWFGIN-CHWSQXEVSA-N 2 0 285.436 -0.128 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000350046372 353470871 /nfs/dbraw/zinc/47/08/71/353470871.db2.gz CGHSQMCOHXSZBW-KGLIPLIRSA-N 2 0 297.447 -0.032 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000351556397 353475967 /nfs/dbraw/zinc/47/59/67/353475967.db2.gz NZOLKQFZOQUPAO-NTZNESFSSA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000352995691 353515825 /nfs/dbraw/zinc/51/58/25/353515825.db2.gz CIVCGXQFHWRIDL-STQMWFEESA-N 2 0 285.436 -0.128 20 0 CBADRP C[NH+](CCOCC[N@@H+](C)C1(CO)CC1)C1(CO)CC1 ZINC000353027058 353517961 /nfs/dbraw/zinc/51/79/61/353517961.db2.gz WFOIXYVBACFMTL-UHFFFAOYSA-N 2 0 272.389 -0.084 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)CC(=O)N1CC[NH2+]CC1)[NH+](C)C ZINC000353049990 353518170 /nfs/dbraw/zinc/51/81/70/353518170.db2.gz UAQSXWHUTRDHSP-ZDUSSCGKSA-N 2 0 284.404 -0.537 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000353065422 353519340 /nfs/dbraw/zinc/51/93/40/353519340.db2.gz HZROBEYUJOXRSZ-CQSZACIVSA-N 2 0 297.447 -0.032 20 0 CBADRP C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000353090570 353520884 /nfs/dbraw/zinc/52/08/84/353520884.db2.gz SQFQPNZRNSPUML-VXGBXAGGSA-N 2 0 271.409 -0.519 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000353468488 353532496 /nfs/dbraw/zinc/53/24/96/353532496.db2.gz OHONQRJTAOMHAA-ZDUSSCGKSA-N 2 0 285.388 -0.469 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)CCC1 ZINC000354652654 353574688 /nfs/dbraw/zinc/57/46/88/353574688.db2.gz DRDYMMAJKJDXLR-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC000354666836 353576075 /nfs/dbraw/zinc/57/60/75/353576075.db2.gz MIBMRWSDIKHYFY-IJLUTSLNSA-N 2 0 282.388 -0.547 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354669542 353576890 /nfs/dbraw/zinc/57/68/90/353576890.db2.gz IIAMQWRLEQJDOK-NWDGAFQWSA-N 2 0 282.388 -0.545 20 0 CBADRP CCCN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000354680949 353577597 /nfs/dbraw/zinc/57/75/97/353577597.db2.gz ZGOSNJNONVOSEG-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC[NH+]1CCCC1 ZINC000354688542 353578078 /nfs/dbraw/zinc/57/80/78/353578078.db2.gz JCYWPWZNTVAMBJ-GFCCVEGCSA-N 2 0 282.388 -0.543 20 0 CBADRP CC[N@H+](CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000354705216 353579667 /nfs/dbraw/zinc/57/96/67/353579667.db2.gz FYNKLWRRELPGPU-CYBMUJFWSA-N 2 0 296.415 -0.155 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000354721019 353580263 /nfs/dbraw/zinc/58/02/63/353580263.db2.gz YDOLHFBTJIXITA-CHWSQXEVSA-N 2 0 294.399 -0.449 20 0 CBADRP CCC[N@H+](C)CC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000354715291 353580390 /nfs/dbraw/zinc/58/03/90/353580390.db2.gz SRKRKBJYKTZVLL-UHFFFAOYSA-N 2 0 257.378 -0.099 20 0 CBADRP CN(CC[NH+]1CCCC1)CC(=O)N1CCN(C)CC1 ZINC000356848979 353599753 /nfs/dbraw/zinc/59/97/53/353599753.db2.gz LBPBWPOGIJVYNS-UHFFFAOYSA-N 2 0 268.405 -0.212 20 0 CBADRP Cn1cc(N2CC[C@@H](N3C[C@H]4C[NH2+]C[C@H]4C3)C2=O)cn1 ZINC000359306570 353653103 /nfs/dbraw/zinc/65/31/03/353653103.db2.gz MPFPEFYXCCURHJ-NTZNESFSSA-N 2 0 275.356 -0.323 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358504444 353648273 /nfs/dbraw/zinc/64/82/73/353648273.db2.gz ROESMUNFMNSARP-CMPLNLGQSA-N 2 0 258.366 -0.698 20 0 CBADRP O[C@@H]1COC[C@@H]1[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000361301484 353660447 /nfs/dbraw/zinc/66/04/47/353660447.db2.gz WYRUTDUEDLUBAY-HZSPNIEDSA-N 2 0 270.373 -0.210 20 0 CBADRP COc1ccnc(N2CCN([C@H]3COC[C@@H]3O)CC2)c1 ZINC000361289532 353661047 /nfs/dbraw/zinc/66/10/47/353661047.db2.gz POMIKRDJOBNPEP-STQMWFEESA-N 2 0 279.340 -0.028 20 0 CBADRP CN(C)c1nccc(N2CCN([C@H]3COC[C@@H]3O)CC2)n1 ZINC000361310890 353661138 /nfs/dbraw/zinc/66/11/38/353661138.db2.gz VDUHMRFKLACUOP-RYUDHWBXSA-N 2 0 293.371 -0.576 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000361710740 353663132 /nfs/dbraw/zinc/66/31/32/353663132.db2.gz LYIKCFLSELIPDW-ZIAGYGMSSA-N 2 0 280.416 -0.166 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CC[NH3+])CC2)C1 ZINC000361711930 353663448 /nfs/dbraw/zinc/66/34/48/353663448.db2.gz XCZYVUIPHFTQEZ-GFCCVEGCSA-N 2 0 254.378 -0.426 20 0 CBADRP O=C(CN1CCC[C@H](N2CCNCC2=O)C1)NC1CC1 ZINC000362828237 353668418 /nfs/dbraw/zinc/66/84/18/353668418.db2.gz CMCDCYGHIDCPEB-LBPRGKRZSA-N 2 0 280.372 -0.839 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)C1 ZINC000365091151 353673023 /nfs/dbraw/zinc/67/30/23/353673023.db2.gz MQJZNYXTXPBOES-IRCOFANPSA-N 2 0 287.429 -0.133 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[NH+](C)C ZINC000367700647 353682966 /nfs/dbraw/zinc/68/29/66/353682966.db2.gz WTWCYCPSVMXNJJ-OLZOCXBDSA-N 2 0 268.405 -0.167 20 0 CBADRP O=C(NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000367829867 353683695 /nfs/dbraw/zinc/68/36/95/353683695.db2.gz CSJWFFFFNDXFIC-YPMHNXCESA-N 2 0 267.373 -0.177 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000368451384 353685530 /nfs/dbraw/zinc/68/55/30/353685530.db2.gz RVWODOQFMULFMZ-ZIAGYGMSSA-N 2 0 280.416 -0.118 20 0 CBADRP CN([C@@H]1CCN(C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC000369346160 353689040 /nfs/dbraw/zinc/68/90/40/353689040.db2.gz WTCLTSYBKQNWHH-LLVKDONJSA-N 2 0 276.406 -0.710 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000373564426 353733004 /nfs/dbraw/zinc/73/30/04/353733004.db2.gz YDSDLPDMHYBIGI-YNEHKIRRSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000373565106 353733092 /nfs/dbraw/zinc/73/30/92/353733092.db2.gz YDSDLPDMHYBIGI-AVGNSLFASA-N 2 0 267.373 -0.035 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000373565105 353733103 /nfs/dbraw/zinc/73/31/03/353733103.db2.gz YDSDLPDMHYBIGI-AGIUHOORSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2)C1CC1 ZINC000371345852 353700667 /nfs/dbraw/zinc/70/06/67/353700667.db2.gz SUTVTFACFARAFZ-AWEZNQCLSA-N 2 0 280.416 -0.023 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372098248 353710440 /nfs/dbraw/zinc/71/04/40/353710440.db2.gz HZMPSBWPTFXAPW-TUAOUCFPSA-N 2 0 255.362 -0.219 20 0 CBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C3([NH3+])CC3)CC2)C1 ZINC000372099321 353710781 /nfs/dbraw/zinc/71/07/81/353710781.db2.gz SYOFMWSARARNFY-LBPRGKRZSA-N 2 0 266.389 -0.284 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000372399634 353716336 /nfs/dbraw/zinc/71/63/36/353716336.db2.gz QQHFCXXCKJCPEO-KBPBESRZSA-N 2 0 298.431 -0.508 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000372505865 353717715 /nfs/dbraw/zinc/71/77/15/353717715.db2.gz NEJOWYJTWXIPQL-OUCADQQQSA-N 2 0 267.373 -0.177 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000372914854 353724418 /nfs/dbraw/zinc/72/44/18/353724418.db2.gz YCGVRGSVGDZQPQ-SDDRHHMPSA-N 2 0 255.362 -0.300 20 0 CBADRP C[NH+](C)[C@H]1CCCN(CCNS(C)(=O)=O)CC1 ZINC000372989498 353725014 /nfs/dbraw/zinc/72/50/14/353725014.db2.gz IIQDHNWUJGKXJS-NSHDSACASA-N 2 0 263.407 -0.048 20 0 CBADRP C[C@H]1[NH2+]CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)[C@H]1C ZINC000373071431 353725642 /nfs/dbraw/zinc/72/56/42/353725642.db2.gz SGKMWRZSSQYVSL-BDAKNGLRSA-N 2 0 263.345 -0.122 20 0 CBADRP CN1CCN(C(=O)CN2CCC[C@]3(CNC(=O)O3)C2)CC1 ZINC000375568639 353763622 /nfs/dbraw/zinc/76/36/22/353763622.db2.gz DTKUFIKPNNCSCM-AWEZNQCLSA-N 2 0 296.371 -0.665 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000375833455 353768276 /nfs/dbraw/zinc/76/82/76/353768276.db2.gz ICYKSWDUGIZZHD-OLZOCXBDSA-N 2 0 268.405 -0.180 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C[C@@H]3COCC[NH2+]3)C[C@H]21 ZINC000375835555 353768420 /nfs/dbraw/zinc/76/84/20/353768420.db2.gz WLUWURDXUGMRRS-FDYHWXHSSA-N 2 0 267.373 -0.049 20 0 CBADRP CCOCCN1CCN(C(=O)C[C@@H]2COCC[NH2+]2)C[C@H]1C ZINC000375912353 353768778 /nfs/dbraw/zinc/76/87/78/353768778.db2.gz OULONCZEJHNLDT-ZIAGYGMSSA-N 2 0 299.415 -0.066 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NCC[C@H]1CCC[NH2+]C1 ZINC000375914638 353768856 /nfs/dbraw/zinc/76/88/56/353768856.db2.gz SBCVDKDXPGCYSP-NEPJUHHUSA-N 2 0 255.362 -0.129 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000375986492 353770693 /nfs/dbraw/zinc/77/06/93/353770693.db2.gz DXSXNHDJEUSZIX-GFCCVEGCSA-N 2 0 273.377 -0.551 20 0 CBADRP COC[C@@H]([NH3+])C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376060622 353771421 /nfs/dbraw/zinc/77/14/21/353771421.db2.gz AUQMMKGWYJGTFK-GXTWGEPZSA-N 2 0 298.431 -0.413 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377590903 353778697 /nfs/dbraw/zinc/77/86/97/353778697.db2.gz ZRPQOLTUADZDPK-VXGBXAGGSA-N 2 0 254.378 -0.652 20 0 CBADRP C[C@H](NC(=O)CN1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC000396468914 353796068 /nfs/dbraw/zinc/79/60/68/353796068.db2.gz REEIPPTWDCFSNJ-LBPRGKRZSA-N 2 0 268.405 -0.262 20 0 CBADRP CC(C)[C@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@H](C)[NH3+] ZINC000399553959 353797810 /nfs/dbraw/zinc/79/78/10/353797810.db2.gz DHOSCXWFYDIVCR-AVGNSLFASA-N 2 0 270.421 -0.032 20 0 CBADRP CS(=O)(=O)N1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000400173448 353799976 /nfs/dbraw/zinc/79/99/76/353799976.db2.gz LQYNQHFCZVVEEX-GHMZBOCLSA-N 2 0 261.391 -0.248 20 0 CBADRP CS(=O)(=O)N1CC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000400203971 353800384 /nfs/dbraw/zinc/80/03/84/353800384.db2.gz SDHFNKKDLJSSOR-ILDUYXDCSA-N 2 0 261.391 -0.120 20 0 CBADRP CNC(=O)NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000408015288 353825341 /nfs/dbraw/zinc/82/53/41/353825341.db2.gz BGGBMGCJWWZBFF-UHFFFAOYSA-N 2 0 256.350 -0.284 20 0 CBADRP C[C@@H](C(=O)N1CCN(CCO)[C@@H](C)C1)N1CCN(C)CC1 ZINC000408376608 353907365 /nfs/dbraw/zinc/90/73/65/353907365.db2.gz NULAWWXZUIEVKU-KBPBESRZSA-N 2 0 298.431 -0.853 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)CC[NH+](C)C ZINC000410886320 353937834 /nfs/dbraw/zinc/93/78/34/353937834.db2.gz NNCYBEKUMLVURA-UHFFFAOYSA-N 2 0 286.420 -0.195 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000416310065 353968258 /nfs/dbraw/zinc/96/82/58/353968258.db2.gz YKQSJEUKKUZNNE-LBPRGKRZSA-N 2 0 266.389 -0.413 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000418422669 353996951 /nfs/dbraw/zinc/99/69/51/353996951.db2.gz BEVYQELTIOPIGS-NSHDSACASA-N 2 0 260.382 -0.105 20 0 CBADRP C[NH2+]CCNC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000416868679 353973813 /nfs/dbraw/zinc/97/38/13/353973813.db2.gz MERQUUBOUOFQPX-GFCCVEGCSA-N 2 0 272.393 -0.138 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)N(CC[NH3+])CCO ZINC000417009157 353974772 /nfs/dbraw/zinc/97/47/72/353974772.db2.gz MYDLIUWZBFDVAR-LLVKDONJSA-N 2 0 260.382 -0.321 20 0 CBADRP C[C@@H]1CN(C(=O)NCC(C)(C)[NH3+])C[C@H](C)[N@H+]1CCO ZINC000418414155 353997051 /nfs/dbraw/zinc/99/70/51/353997051.db2.gz KYGLJJBVXDMMLV-PHIMTYICSA-N 2 0 272.393 -0.180 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)NCCC[N@H+](C)CCOC ZINC000417095626 353976739 /nfs/dbraw/zinc/97/67/39/353976739.db2.gz UJIPHNQSROAFHY-NSHDSACASA-N 2 0 260.382 -0.009 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)NCC[N@H+](C)CCOC ZINC000417437109 353977838 /nfs/dbraw/zinc/97/78/38/353977838.db2.gz GMHMSVAOJHZXQR-LLVKDONJSA-N 2 0 260.382 -0.281 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000417442175 353977946 /nfs/dbraw/zinc/97/79/46/353977946.db2.gz SPKYERWKECOAFD-VXGBXAGGSA-N 2 0 272.393 -0.138 20 0 CBADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1CC(C)(C)O ZINC000418394631 353997204 /nfs/dbraw/zinc/99/72/04/353997204.db2.gz XZXYBNIDJCEECI-VXGBXAGGSA-N 2 0 284.404 -0.165 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH2+]CC2)C1 ZINC000417719198 353982123 /nfs/dbraw/zinc/98/21/23/353982123.db2.gz WOMUNCCWCCVHEZ-NSHDSACASA-N 2 0 256.350 -0.678 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000417708044 353982388 /nfs/dbraw/zinc/98/23/88/353982388.db2.gz OABWALLSQQSSGL-NEPJUHHUSA-N 2 0 272.393 -0.138 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417756110 353982914 /nfs/dbraw/zinc/98/29/14/353982914.db2.gz RRTPJHFQSAAGCY-GFCCVEGCSA-N 2 0 272.393 -0.009 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)NCC(C)(C)[NH3+] ZINC000417742451 353983048 /nfs/dbraw/zinc/98/30/48/353983048.db2.gz BCOXYBIMBMBRIA-UHFFFAOYSA-N 2 0 260.382 -0.009 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)CCC[N@@H+]1C ZINC000418008757 353986550 /nfs/dbraw/zinc/98/65/50/353986550.db2.gz SROOCKPWBCQLMI-UPJWGTAASA-N 2 0 283.420 -0.328 20 0 CBADRP C[C@H]1[C@@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CCC[N@@H+]1C ZINC000418011594 353986730 /nfs/dbraw/zinc/98/67/30/353986730.db2.gz XBRSGUVTBIJWPY-BJDJZHNGSA-N 2 0 270.377 -0.557 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCOCC[NH+](C)C ZINC000418066682 353987761 /nfs/dbraw/zinc/98/77/61/353987761.db2.gz LSVJHWZVRZLENR-NWDGAFQWSA-N 2 0 272.393 -0.044 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)NCC1([NH+](C)C)CCC1 ZINC000418057291 353987866 /nfs/dbraw/zinc/98/78/66/353987866.db2.gz IOIJTTGSWRKVCE-LBPRGKRZSA-N 2 0 283.420 -0.327 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)NCCOCC[NH+](C)C ZINC000418067613 353987882 /nfs/dbraw/zinc/98/78/82/353987882.db2.gz MZXIRRXXLHVTQV-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP [NH3+]CCNC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000418292587 353991063 /nfs/dbraw/zinc/99/10/63/353991063.db2.gz CVISOGKWUSZJAB-CQSZACIVSA-N 2 0 292.383 -0.337 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)NCCN1CC[NH2+]CC1 ZINC000418294701 353991169 /nfs/dbraw/zinc/99/11/69/353991169.db2.gz GXULSKXCEUQUAT-UHFFFAOYSA-N 2 0 285.436 -0.127 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000418292830 353991183 /nfs/dbraw/zinc/99/11/83/353991183.db2.gz DNIGUTVRSLPNAX-RYUDHWBXSA-N 2 0 269.393 -0.811 20 0 CBADRP COc1c[nH+]ccc1N1CCN(C(=O)NCC[NH3+])CC1 ZINC000418290998 353991202 /nfs/dbraw/zinc/99/12/02/353991202.db2.gz AQDIJWPBDVHQOR-UHFFFAOYSA-N 2 0 279.344 -0.120 20 0 CBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCC[NH3+] ZINC000418298687 353991836 /nfs/dbraw/zinc/99/18/36/353991836.db2.gz QSPPZJKQRZZHOV-UHFFFAOYSA-N 3 0 273.425 -0.140 20 0 CBADRP C[NH2+]CCNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000418317905 353992656 /nfs/dbraw/zinc/99/26/56/353992656.db2.gz NRTZSDAOYPCODB-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP CC[NH2+]CCNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000418319555 353992754 /nfs/dbraw/zinc/99/27/54/353992754.db2.gz BVTJQMSTDYRHPO-NEPJUHHUSA-N 2 0 272.393 -0.308 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)NCCN1CC[NH2+]CC1 ZINC000418308682 353992855 /nfs/dbraw/zinc/99/28/55/353992855.db2.gz VBEXWSANEBAJSQ-UHFFFAOYSA-N 2 0 271.409 -0.292 20 0 CBADRP [NH3+]C1(CNC(=O)NCCN2CC[NH2+]CC2)CCCCC1 ZINC000418306822 353993060 /nfs/dbraw/zinc/99/30/60/353993060.db2.gz SFIPMOZKMVFGGD-UHFFFAOYSA-N 2 0 283.420 -0.148 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000418470014 353997783 /nfs/dbraw/zinc/99/77/83/353997783.db2.gz QFZSHVYKFSADPJ-WCQYABFASA-N 2 0 272.393 -0.130 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000418361137 353994737 /nfs/dbraw/zinc/99/47/37/353994737.db2.gz GSYFTMBIIBOQQC-STQMWFEESA-N 2 0 284.404 -0.116 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000418355360 353994835 /nfs/dbraw/zinc/99/48/35/353994835.db2.gz BJHISNWYMNZQRC-CHWSQXEVSA-N 2 0 284.404 -0.116 20 0 CBADRP O=C(NCCNc1cc[nH+]cc1)NC[C@H]1CCC[NH2+]1 ZINC000418371807 353995255 /nfs/dbraw/zinc/99/52/55/353995255.db2.gz QCIXGTCINFRMSZ-GFCCVEGCSA-N 2 0 263.345 -0.033 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418442479 353997983 /nfs/dbraw/zinc/99/79/83/353997983.db2.gz NAFBPVGQAAFTAD-MNOVXSKESA-N 2 0 258.366 -0.353 20 0 CBADRP [NH3+]CCN(CCO)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418381999 353996219 /nfs/dbraw/zinc/99/62/19/353996219.db2.gz MIZWEUBLUIEIDI-GFCCVEGCSA-N 2 0 272.393 -0.143 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)[NH3+])[C@H](C)C1 ZINC000418423180 353996597 /nfs/dbraw/zinc/99/65/97/353996597.db2.gz FKHOWHZPXXWUMB-GHMZBOCLSA-N 2 0 272.393 -0.180 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000419233483 354040108 /nfs/dbraw/zinc/04/01/08/354040108.db2.gz HDDYKPSAZLSIDK-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000418505654 353999950 /nfs/dbraw/zinc/99/99/50/353999950.db2.gz FVSTYTCSTDHNMG-LBPRGKRZSA-N 2 0 272.393 -0.042 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000418509263 354000126 /nfs/dbraw/zinc/00/01/26/354000126.db2.gz NUFLSMPYFZKOFK-NWDGAFQWSA-N 2 0 272.393 -0.009 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000418513668 354001141 /nfs/dbraw/zinc/00/11/41/354001141.db2.gz VFEATGTXZFDSFP-NWDGAFQWSA-N 2 0 272.393 -0.009 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000418514535 354001178 /nfs/dbraw/zinc/00/11/78/354001178.db2.gz ARJSOQZLYBWCDG-NWDGAFQWSA-N 2 0 272.393 -0.130 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000418520526 354001547 /nfs/dbraw/zinc/00/15/47/354001547.db2.gz PMWDXKTVBINASH-UHFFFAOYSA-N 2 0 286.420 -0.011 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000418514537 354001637 /nfs/dbraw/zinc/00/16/37/354001637.db2.gz ARJSOQZLYBWCDG-VXGBXAGGSA-N 2 0 272.393 -0.130 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)N[C@@H](C)CC[NH3+] ZINC000418557845 354002924 /nfs/dbraw/zinc/00/29/24/354002924.db2.gz OZJIGZVHNWPOJV-NSHDSACASA-N 2 0 260.382 -0.057 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418709502 354005635 /nfs/dbraw/zinc/00/56/35/354005635.db2.gz VBOONAPVXDSFFE-QWRGUYRKSA-N 2 0 260.382 -0.058 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000418732230 354005680 /nfs/dbraw/zinc/00/56/80/354005680.db2.gz QNMVVBPTVSQDLR-VXGBXAGGSA-N 2 0 272.393 -0.130 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)NCCNc1cc[nH+]cc1 ZINC000418728795 354006405 /nfs/dbraw/zinc/00/64/05/354006405.db2.gz NQHRLLPKAXBHPT-SNVBAGLBSA-N 2 0 251.334 -0.048 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000418739581 354006453 /nfs/dbraw/zinc/00/64/53/354006453.db2.gz YVKHRASHYCCQIO-RYUDHWBXSA-N 2 0 272.393 -0.130 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418751924 354007217 /nfs/dbraw/zinc/00/72/17/354007217.db2.gz FZZRSBZZKGPMRW-JTQLQIEISA-N 2 0 294.346 -0.403 20 0 CBADRP C[C@@H]1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)[C@H](C[NH3+])C1 ZINC000418769570 354007761 /nfs/dbraw/zinc/00/77/61/354007761.db2.gz PXPYXOHESCUDPK-GRYCIOLGSA-N 2 0 270.377 -0.256 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000418763052 354007830 /nfs/dbraw/zinc/00/78/30/354007830.db2.gz JIAZIRVSHCNMMQ-VXGBXAGGSA-N 2 0 270.377 -0.290 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCO2)C[C@H](C)[N@H+]1C ZINC000418773289 354008808 /nfs/dbraw/zinc/00/88/08/354008808.db2.gz UFENBYPOGOORKS-GRYCIOLGSA-N 2 0 270.377 -0.291 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCO2)C[C@H](C)[N@H+]1C ZINC000418773290 354008935 /nfs/dbraw/zinc/00/89/35/354008935.db2.gz UFENBYPOGOORKS-TUAOUCFPSA-N 2 0 270.377 -0.291 20 0 CBADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[NH2+]CC2)CCCC1 ZINC000418799840 354010049 /nfs/dbraw/zinc/01/00/49/354010049.db2.gz BKHDURNCKUNOJB-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000418831661 354010598 /nfs/dbraw/zinc/01/05/98/354010598.db2.gz JIHQDMVZDZFCDK-LBPRGKRZSA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418831071 354010722 /nfs/dbraw/zinc/01/07/22/354010722.db2.gz UPBGTNTVGAENGW-UHFFFAOYSA-N 2 0 284.404 -0.440 20 0 CBADRP [NH3+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418864416 354013300 /nfs/dbraw/zinc/01/33/00/354013300.db2.gz QMCGMKOCJOBTMJ-CYBMUJFWSA-N 2 0 290.367 -0.548 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000418880330 354014916 /nfs/dbraw/zinc/01/49/16/354014916.db2.gz VHNNGBNBSLXBFA-NEPJUHHUSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C)C[NH2+]1 ZINC000418943934 354016587 /nfs/dbraw/zinc/01/65/87/354016587.db2.gz CISKPIMCISBIKW-YVECIDJPSA-N 2 0 296.415 -0.206 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC[N@@H+]1C ZINC000418972172 354018603 /nfs/dbraw/zinc/01/86/03/354018603.db2.gz YHAUDGGSHAXLCI-VXGBXAGGSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC000418991436 354019901 /nfs/dbraw/zinc/01/99/01/354019901.db2.gz XSODMFFYCCKYEX-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000418995961 354021416 /nfs/dbraw/zinc/02/14/16/354021416.db2.gz JLHOUCRLBBEOAF-UHFFFAOYSA-N 2 0 296.415 -0.344 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000419024278 354023537 /nfs/dbraw/zinc/02/35/37/354023537.db2.gz FIXUCTNBZPSKQU-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000419021376 354023953 /nfs/dbraw/zinc/02/39/53/354023953.db2.gz GZWPTELUEWBBJI-UPJWGTAASA-N 2 0 298.431 -0.066 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000419024280 354024119 /nfs/dbraw/zinc/02/41/19/354024119.db2.gz FIXUCTNBZPSKQU-LBPRGKRZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000419018331 354024348 /nfs/dbraw/zinc/02/43/48/354024348.db2.gz BWAHTNZIJWFIKK-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419020840 354024384 /nfs/dbraw/zinc/02/43/84/354024384.db2.gz GETPWUUZGUZQNH-XQQFMLRXSA-N 2 0 298.431 -0.195 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000419033211 354026564 /nfs/dbraw/zinc/02/65/64/354026564.db2.gz YFEPTQHKKQZHIT-RYUDHWBXSA-N 2 0 284.404 -0.441 20 0 CBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCCC[NH3+] ZINC000419081177 354027259 /nfs/dbraw/zinc/02/72/59/354027259.db2.gz RCLCQOURPPXOGT-GFCCVEGCSA-N 2 0 284.404 -0.168 20 0 CBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)CC[NH3+] ZINC000419079959 354027458 /nfs/dbraw/zinc/02/74/58/354027458.db2.gz NXKZOLMPBLIURZ-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000419100693 354028584 /nfs/dbraw/zinc/02/85/84/354028584.db2.gz JEJTVSHUFSUVIU-WCQYABFASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC[NH2+]1 ZINC000419109714 354028656 /nfs/dbraw/zinc/02/86/56/354028656.db2.gz RSCBTRIGOPDMJK-JTQLQIEISA-N 2 0 268.361 -0.983 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419111293 354028838 /nfs/dbraw/zinc/02/88/38/354028838.db2.gz UFFJGWHWHWQXTC-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000419129304 354029476 /nfs/dbraw/zinc/02/94/76/354029476.db2.gz APBPZDZESXGPQJ-RYUDHWBXSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000419129305 354029745 /nfs/dbraw/zinc/02/97/45/354029745.db2.gz APBPZDZESXGPQJ-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419131011 354029837 /nfs/dbraw/zinc/02/98/37/354029837.db2.gz BUWPPJHWPYTOSO-GHMZBOCLSA-N 2 0 270.377 -0.737 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419133823 354030737 /nfs/dbraw/zinc/03/07/37/354030737.db2.gz HGUNUGOKIWBAGG-YNEHKIRRSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000419133154 354030828 /nfs/dbraw/zinc/03/08/28/354030828.db2.gz GJOSEDMMFIYZOE-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)C(C)(C)C ZINC000419135583 354030872 /nfs/dbraw/zinc/03/08/72/354030872.db2.gz NHRIXORCYFYBQR-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])C1 ZINC000419150214 354032215 /nfs/dbraw/zinc/03/22/15/354032215.db2.gz KYBUXMJTZXKWKP-CHWSQXEVSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000419147152 354032399 /nfs/dbraw/zinc/03/23/99/354032399.db2.gz BRJHIJBABQVDGE-CHWSQXEVSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000419146310 354032628 /nfs/dbraw/zinc/03/26/28/354032628.db2.gz ZBTXOGNXQUHENA-RWMBFGLXSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000419152063 354032844 /nfs/dbraw/zinc/03/28/44/354032844.db2.gz NYEFNPPCRNOVBG-UTUOFQBUSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000419164058 354033982 /nfs/dbraw/zinc/03/39/82/354033982.db2.gz YBYSQYKVMQYDCN-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419157902 354034344 /nfs/dbraw/zinc/03/43/44/354034344.db2.gz XAGYAVWCPRSRBG-NSHDSACASA-N 2 0 284.404 -0.347 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000419158836 354034543 /nfs/dbraw/zinc/03/45/43/354034543.db2.gz YLGRRQYOHBCJSG-DGCLKSJQSA-N 2 0 294.399 -0.450 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000419217999 354037081 /nfs/dbraw/zinc/03/70/81/354037081.db2.gz FIQARXFNGWXVLE-LLVKDONJSA-N 2 0 268.361 -0.782 20 0 CBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000419222873 354038598 /nfs/dbraw/zinc/03/85/98/354038598.db2.gz LEWKHXSAUUGSLW-UHFFFAOYSA-N 2 0 268.361 -0.828 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419226535 354038914 /nfs/dbraw/zinc/03/89/14/354038914.db2.gz JEMFQOPVMOWROA-AAEUAGOBSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419226536 354039193 /nfs/dbraw/zinc/03/91/93/354039193.db2.gz JEMFQOPVMOWROA-DGCLKSJQSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000419576281 354062333 /nfs/dbraw/zinc/06/23/33/354062333.db2.gz BULQLUPYVYIBNR-LLVKDONJSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)NCCC[NH2+]C2CC2)CCC[N@@H+]1C ZINC000419564096 354062421 /nfs/dbraw/zinc/06/24/21/354062421.db2.gz WZEUMCBEOKUEOW-DGCLKSJQSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[N@H+](C)C1CC1 ZINC000419575832 354062625 /nfs/dbraw/zinc/06/26/25/354062625.db2.gz BIBDOZGCVAPNHK-JOYOIKCWSA-N 2 0 282.388 -0.561 20 0 CBADRP C[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000419565210 354062681 /nfs/dbraw/zinc/06/26/81/354062681.db2.gz YMRBULDTSOWGND-GMTAPVOTSA-N 2 0 270.377 -0.691 20 0 CBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000419581580 354063530 /nfs/dbraw/zinc/06/35/30/354063530.db2.gz INYWJVSCFRZQSZ-GHMZBOCLSA-N 2 0 282.388 -0.547 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000419585695 354063650 /nfs/dbraw/zinc/06/36/50/354063650.db2.gz MAGXQZCAZKGGNK-MNOVXSKESA-N 2 0 284.404 -0.443 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000419581005 354064242 /nfs/dbraw/zinc/06/42/42/354064242.db2.gz ICPIGZDVFBICCW-MNOVXSKESA-N 2 0 284.404 -0.301 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000419581499 354064246 /nfs/dbraw/zinc/06/42/46/354064246.db2.gz IIDNOYPUBZVXRR-NEPJUHHUSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CC[NH3+] ZINC000419587612 354064749 /nfs/dbraw/zinc/06/47/49/354064749.db2.gz NPWFPHAJJVTZLQ-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[N@H+](C)C1CC1 ZINC000419588508 354064786 /nfs/dbraw/zinc/06/47/86/354064786.db2.gz OJJJGSYZXKTNMD-NQBHXWOUSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[N@H+](C)C1CC1 ZINC000419588513 354064964 /nfs/dbraw/zinc/06/49/64/354064964.db2.gz OJJJGSYZXKTNMD-WZRBSPASSA-N 2 0 296.415 -0.301 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419587177 354065095 /nfs/dbraw/zinc/06/50/95/354065095.db2.gz NMKOPTHZAWGCKI-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@H+](C)C1CC1 ZINC000419590349 354065265 /nfs/dbraw/zinc/06/52/65/354065265.db2.gz QAHAPYPCGMOVJX-LOWVWBTDSA-N 2 0 294.399 -0.594 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[N@H+](C)C1CC1 ZINC000419588506 354065435 /nfs/dbraw/zinc/06/54/35/354065435.db2.gz OJJJGSYZXKTNMD-MDZLAQPJSA-N 2 0 296.415 -0.301 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419597246 354065504 /nfs/dbraw/zinc/06/55/04/354065504.db2.gz ZWNCMBDOCKBIIB-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH2+][C@@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419689196 354070240 /nfs/dbraw/zinc/07/02/40/354070240.db2.gz ACZVNMSKRSNIIM-RYUDHWBXSA-N 2 0 296.415 -0.156 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)C1CCCC1 ZINC000419694766 354070498 /nfs/dbraw/zinc/07/04/98/354070498.db2.gz LIZSSPYOCVDHQK-ZDUSSCGKSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000419716102 354071063 /nfs/dbraw/zinc/07/10/63/354071063.db2.gz QCUHZDDPWQVXHW-VXGBXAGGSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419700072 354071081 /nfs/dbraw/zinc/07/10/81/354071081.db2.gz WYRNGJCJLRTULO-VXGBXAGGSA-N 2 0 296.415 -0.027 20 0 CBADRP C[C@@H](CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCCCC1 ZINC000419716761 354071531 /nfs/dbraw/zinc/07/15/31/354071531.db2.gz SAXTXIRHNPNVEI-QWHCGFSZSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](CCNC(=O)C(=O)NCC[NH3+])[NH+]1CCCCC1 ZINC000419716321 354071592 /nfs/dbraw/zinc/07/15/92/354071592.db2.gz QWHRZHOAIMNMPP-NSHDSACASA-N 2 0 270.377 -0.558 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000419717801 354072015 /nfs/dbraw/zinc/07/20/15/354072015.db2.gz UZAPHNBIHROWIT-GFCCVEGCSA-N 2 0 284.404 -0.297 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000419883331 354088886 /nfs/dbraw/zinc/08/88/86/354088886.db2.gz MWJJPCOUFHHCEY-UPJWGTAASA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000419735434 354073745 /nfs/dbraw/zinc/07/37/45/354073745.db2.gz QMNLGWPZFRJDFO-CYBMUJFWSA-N 2 0 296.415 -0.155 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N(C)CCC[NH2+]C ZINC000419736729 354073805 /nfs/dbraw/zinc/07/38/05/354073805.db2.gz RVNGUXHODZCBEE-UHFFFAOYSA-N 2 0 272.393 -0.488 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000419736764 354073889 /nfs/dbraw/zinc/07/38/89/354073889.db2.gz SDMHZDRDLULJMR-YPMHNXCESA-N 2 0 296.415 -0.170 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419736723 354073929 /nfs/dbraw/zinc/07/39/29/354073929.db2.gz RTVGYWDJUJKIES-QWHCGFSZSA-N 2 0 296.415 -0.488 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419735359 354073943 /nfs/dbraw/zinc/07/39/43/354073943.db2.gz QAASWJIMFFTOMT-HNNXBMFYSA-N 2 0 298.431 -0.050 20 0 CBADRP [NH3+]CCCNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000419732418 354074083 /nfs/dbraw/zinc/07/40/83/354074083.db2.gz MNHJOGDFWYIBAI-GFCCVEGCSA-N 2 0 282.388 -0.416 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000419739256 354074243 /nfs/dbraw/zinc/07/42/43/354074243.db2.gz VYXQBCQGFYKAMI-QWHCGFSZSA-N 2 0 298.431 -0.112 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419741767 354074676 /nfs/dbraw/zinc/07/46/76/354074676.db2.gz ZOLUHZGOSPQLJY-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419763989 354075609 /nfs/dbraw/zinc/07/56/09/354075609.db2.gz OVCWZTBUEJZSLR-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000419766546 354075689 /nfs/dbraw/zinc/07/56/89/354075689.db2.gz RMTGJLSAXUNMAS-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCC[NH3+] ZINC000419785004 354077753 /nfs/dbraw/zinc/07/77/53/354077753.db2.gz XUFKLBMNWOFVCH-LLVKDONJSA-N 2 0 284.404 -0.312 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCC[NH3+])c1ccccc1 ZINC000419796106 354078611 /nfs/dbraw/zinc/07/86/11/354078611.db2.gz MUHQUUGIDJZSEZ-ZDUSSCGKSA-N 2 0 292.383 -0.130 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000419815104 354079535 /nfs/dbraw/zinc/07/95/35/354079535.db2.gz HNJRRIULGPTSKZ-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])C[NH+]1CCCC1 ZINC000419802723 354079608 /nfs/dbraw/zinc/07/96/08/354079608.db2.gz AMUVHIQPHXBQBW-VXGBXAGGSA-N 2 0 284.404 -0.312 20 0 CBADRP CCCN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000354680946 282993260 /nfs/dbraw/zinc/99/32/60/282993260.db2.gz ZGOSNJNONVOSEG-OLZOCXBDSA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000419820492 354080195 /nfs/dbraw/zinc/08/01/95/354080195.db2.gz KMRAHGLFWOQVOF-LBPRGKRZSA-N 2 0 282.388 -0.734 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419823040 354080295 /nfs/dbraw/zinc/08/02/95/354080295.db2.gz PQQJUWJPGFFAQX-NSHDSACASA-N 2 0 284.404 -0.170 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000419815745 354080357 /nfs/dbraw/zinc/08/03/57/354080357.db2.gz HWRUKROZCUMPEL-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000419882013 354088531 /nfs/dbraw/zinc/08/85/31/354088531.db2.gz BWCSOZVSDHUMHH-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP [NH3+]CCNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000419821799 354080568 /nfs/dbraw/zinc/08/05/68/354080568.db2.gz VAKJQQQQBMLDJD-UHFFFAOYSA-N 2 0 282.388 -0.462 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)CCCCC1 ZINC000419825324 354081299 /nfs/dbraw/zinc/08/12/99/354081299.db2.gz QVZQIWBFJBBBPG-LBPRGKRZSA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000419826408 354081509 /nfs/dbraw/zinc/08/15/09/354081509.db2.gz NYNSDSPHGPPVMN-CHWSQXEVSA-N 2 0 298.431 -0.066 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)C[NH+]1CCCC1 ZINC000419830620 354081512 /nfs/dbraw/zinc/08/15/12/354081512.db2.gz QRFBYNWYMRVZAS-WCQYABFASA-N 2 0 296.415 -0.312 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000419833507 354082311 /nfs/dbraw/zinc/08/23/11/354082311.db2.gz SPGIUMDZRBNCFU-GFCCVEGCSA-N 2 0 284.404 -0.440 20 0 CBADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC[NH3+])o1 ZINC000419841365 354083212 /nfs/dbraw/zinc/08/32/12/354083212.db2.gz UDHRNHNKFRBFDH-UHFFFAOYSA-N 2 0 296.371 -0.447 20 0 CBADRP [NH3+]CCCNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000419843752 354084109 /nfs/dbraw/zinc/08/41/09/354084109.db2.gz YBGHSMKBEJSTNQ-UHFFFAOYSA-N 2 0 282.388 -0.462 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000419849885 354084854 /nfs/dbraw/zinc/08/48/54/354084854.db2.gz ZWLCYQNRISBHKP-UHFFFAOYSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419857065 354085780 /nfs/dbraw/zinc/08/57/80/354085780.db2.gz UEFLAQQLSGVRDT-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000419863298 354086336 /nfs/dbraw/zinc/08/63/36/354086336.db2.gz CNPGQAKAMUNXJO-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419860076 354086457 /nfs/dbraw/zinc/08/64/57/354086457.db2.gz KKCAWELPLWMTNB-CYBMUJFWSA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419865581 354086930 /nfs/dbraw/zinc/08/69/30/354086930.db2.gz AMQOAIWPWBZWNB-LBPRGKRZSA-N 2 0 284.404 -0.489 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NCC[NH2+]C ZINC000419287373 354044628 /nfs/dbraw/zinc/04/46/28/354044628.db2.gz PXBSXEQUGHDANM-UHFFFAOYSA-N 2 0 258.366 -0.830 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000419319116 354045761 /nfs/dbraw/zinc/04/57/61/354045761.db2.gz OKGBFKJCZLYAQB-GRYCIOLGSA-N 2 0 294.399 -0.404 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000419316849 354045868 /nfs/dbraw/zinc/04/58/68/354045868.db2.gz LXEHMBMZEJJGSG-RYUDHWBXSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000419338384 354046915 /nfs/dbraw/zinc/04/69/15/354046915.db2.gz SJKQQXVSBRGNNX-JQWIXIFHSA-N 2 0 282.388 -0.689 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000419340847 354046978 /nfs/dbraw/zinc/04/69/78/354046978.db2.gz XOBYDFUOIPDBHC-UHTWSYAYSA-N 2 0 296.415 -0.315 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419404616 354051511 /nfs/dbraw/zinc/05/15/11/354051511.db2.gz GIVCRSKDRYZTPS-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000419409648 354052353 /nfs/dbraw/zinc/05/23/53/354052353.db2.gz NJCSGIKIIIAJLB-CYBMUJFWSA-N 2 0 296.415 -0.345 20 0 CBADRP CC1CC[NH+](CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000419414702 354052389 /nfs/dbraw/zinc/05/23/89/354052389.db2.gz UHUMHCNVBODIOS-ZDUSSCGKSA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419422243 354053292 /nfs/dbraw/zinc/05/32/92/354053292.db2.gz MJBLARSBJVNACN-STQMWFEESA-N 2 0 296.415 -0.155 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000419425849 354053843 /nfs/dbraw/zinc/05/38/43/354053843.db2.gz PUZADXIRAZDZGU-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000419428619 354054530 /nfs/dbraw/zinc/05/45/30/354054530.db2.gz TZQXYCLRDOEOOX-RYUDHWBXSA-N 2 0 284.404 -0.312 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419431253 354054697 /nfs/dbraw/zinc/05/46/97/354054697.db2.gz WYMYWCAGPIMEGW-XQQFMLRXSA-N 2 0 298.431 -0.066 20 0 CBADRP C[NH2+]CCNC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000419476180 354055055 /nfs/dbraw/zinc/05/50/55/354055055.db2.gz FYBPTUZPHLJFJI-ZDUSSCGKSA-N 2 0 298.431 -0.050 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCC[NH3+] ZINC000419523000 354057789 /nfs/dbraw/zinc/05/77/89/354057789.db2.gz NNXVCSSHCOMUBL-SNVBAGLBSA-N 2 0 258.366 -0.702 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419526948 354057996 /nfs/dbraw/zinc/05/79/96/354057996.db2.gz ULWZHARJWQWGHU-GHMZBOCLSA-N 2 0 272.393 -0.362 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)C1CC1 ZINC000419530286 354058017 /nfs/dbraw/zinc/05/80/17/354058017.db2.gz YUKSZGWZPOYHBW-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419527016 354058764 /nfs/dbraw/zinc/05/87/64/354058764.db2.gz URIARJDIFFLSSE-STQMWFEESA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000419526167 354058785 /nfs/dbraw/zinc/05/87/85/354058785.db2.gz SRRRSLZZUVMEHV-LLVKDONJSA-N 2 0 272.393 -0.441 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000419540113 354059424 /nfs/dbraw/zinc/05/94/24/354059424.db2.gz BXOJFDOXNDVCDO-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000419540114 354059603 /nfs/dbraw/zinc/05/96/03/354059603.db2.gz BXOJFDOXNDVCDO-QWRGUYRKSA-N 2 0 270.377 -0.689 20 0 CBADRP C[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000419544838 354060025 /nfs/dbraw/zinc/06/00/25/354060025.db2.gz LPONRZUBAFPXFV-RYUDHWBXSA-N 2 0 298.431 -0.053 20 0 CBADRP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000419544836 354060558 /nfs/dbraw/zinc/06/05/58/354060558.db2.gz LPONRZUBAFPXFV-NWDGAFQWSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000419878665 354087691 /nfs/dbraw/zinc/08/76/91/354087691.db2.gz SJFWBAVKYWAECJ-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)CCC[N@@H+]1C ZINC000419542359 354060624 /nfs/dbraw/zinc/06/06/24/354060624.db2.gz FJPSPHNNGNKUFQ-GRYCIOLGSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H](NC(=O)C(=O)NCCC[NH3+])C(C)(C)C[NH+](C)C ZINC000419547688 354060655 /nfs/dbraw/zinc/06/06/55/354060655.db2.gz QALZZBCRVMJGKB-JTQLQIEISA-N 2 0 272.393 -0.456 20 0 CBADRP C[C@H]1[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)CCC[N@@H+]1C ZINC000419560743 354061345 /nfs/dbraw/zinc/06/13/45/354061345.db2.gz RODYEQDMKWAUSG-QWRGUYRKSA-N 2 0 268.361 -0.983 20 0 CBADRP CC1CCN(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])CC1 ZINC000420464876 354129926 /nfs/dbraw/zinc/12/99/26/354129926.db2.gz YFIZJZUKKYYLRR-UHFFFAOYSA-N 2 0 292.449 -0.037 20 0 CBADRP CCN(CC)S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420458880 354130147 /nfs/dbraw/zinc/13/01/47/354130147.db2.gz PZURSDBSYPMRKO-UHFFFAOYSA-N 2 0 266.411 -0.427 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000419883328 354089023 /nfs/dbraw/zinc/08/90/23/354089023.db2.gz MWJJPCOUFHHCEY-AGIUHOORSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000419883330 354089206 /nfs/dbraw/zinc/08/92/06/354089206.db2.gz MWJJPCOUFHHCEY-JHJVBQTASA-N 2 0 296.415 -0.299 20 0 CBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419887072 354089754 /nfs/dbraw/zinc/08/97/54/354089754.db2.gz QCVDVAUMIFPOLK-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000419886775 354090014 /nfs/dbraw/zinc/09/00/14/354090014.db2.gz IEEVTTBPMDTGLV-UHFFFAOYSA-N 2 0 286.420 -0.242 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419896691 354090585 /nfs/dbraw/zinc/09/05/85/354090585.db2.gz UYVAEMUGGFESTA-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419893401 354090705 /nfs/dbraw/zinc/09/07/05/354090705.db2.gz PYAIMNBBKWIXCY-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000419909105 354092672 /nfs/dbraw/zinc/09/26/72/354092672.db2.gz KMAVZXSPMMMDHP-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000419937598 354094621 /nfs/dbraw/zinc/09/46/21/354094621.db2.gz WACNJPHKMJDJDU-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H](C)C[NH2+]C)C(C)C ZINC000419949854 354096408 /nfs/dbraw/zinc/09/64/08/354096408.db2.gz LQXPOBJZDUPRGD-GFCCVEGCSA-N 2 0 286.420 -0.195 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419949625 354096680 /nfs/dbraw/zinc/09/66/80/354096680.db2.gz LLQJFFOYWFIKIP-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000419961056 354097233 /nfs/dbraw/zinc/09/72/33/354097233.db2.gz SWNQKVUGBKXCLP-YNEHKIRRSA-N 2 0 298.431 -0.066 20 0 CBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000419981322 354099392 /nfs/dbraw/zinc/09/93/92/354099392.db2.gz RZYNBWMXIPIIMP-VXGBXAGGSA-N 2 0 282.388 -0.735 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000420008493 354102169 /nfs/dbraw/zinc/10/21/69/354102169.db2.gz UMRPXIDBZGKVGI-LLVKDONJSA-N 2 0 272.393 -0.312 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000420017432 354102977 /nfs/dbraw/zinc/10/29/77/354102977.db2.gz VQMVCLUOYQIHBM-VXGBXAGGSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000420017431 354103119 /nfs/dbraw/zinc/10/31/19/354103119.db2.gz VQMVCLUOYQIHBM-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000420026833 354103928 /nfs/dbraw/zinc/10/39/28/354103928.db2.gz JUEBIFWOHHQKDQ-QJPTWQEYSA-N 2 0 284.404 -0.171 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000420028506 354104173 /nfs/dbraw/zinc/10/41/73/354104173.db2.gz HHHAIDAHGFLMAO-CHWSQXEVSA-N 2 0 296.415 -0.219 20 0 CBADRP CC(C)([NH3+])CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000420052005 354104889 /nfs/dbraw/zinc/10/48/89/354104889.db2.gz HKGHITJLACXEOP-UHFFFAOYSA-N 2 0 296.415 -0.073 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420093307 354108642 /nfs/dbraw/zinc/10/86/42/354108642.db2.gz PKYFHGAVAJHKIX-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000420108593 354109330 /nfs/dbraw/zinc/10/93/30/354109330.db2.gz CRDTZNZHWKEUOA-WCQYABFASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000420135567 354111188 /nfs/dbraw/zinc/11/11/88/354111188.db2.gz DXYPFKUVCYZCAO-JHJVBQTASA-N 2 0 296.415 -0.347 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000420152914 354114265 /nfs/dbraw/zinc/11/42/65/354114265.db2.gz ZWLQPWLBUCHDNL-NSHDSACASA-N 2 0 272.393 -0.360 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[N@H+](CC)C(C)C ZINC000420175875 354116198 /nfs/dbraw/zinc/11/61/98/354116198.db2.gz VZDJFTXZEJTTLG-GFCCVEGCSA-N 2 0 286.420 -0.053 20 0 CBADRP C[C@H]1CCN(CCC(=O)N2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000420333989 354124082 /nfs/dbraw/zinc/12/40/82/354124082.db2.gz KOXOQZAQMSYFEX-STQMWFEESA-N 2 0 268.405 -0.133 20 0 CBADRP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CCN1CCOCC1 ZINC000420353744 354125381 /nfs/dbraw/zinc/12/53/81/354125381.db2.gz CDYVFBMKYZRLGG-UHFFFAOYSA-N 2 0 284.404 -0.928 20 0 CBADRP COC(=O)[C@@H](C)C[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000420354842 354125603 /nfs/dbraw/zinc/12/56/03/354125603.db2.gz DOQHTPOMHAZCHJ-NSHDSACASA-N 2 0 271.361 -0.451 20 0 CBADRP COC(=O)C[C@H](N)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000423325939 354168337 /nfs/dbraw/zinc/16/83/37/354168337.db2.gz KASVJARRUDODRW-QWRGUYRKSA-N 2 0 271.361 -0.133 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000423344918 354170168 /nfs/dbraw/zinc/17/01/68/354170168.db2.gz FNRYAIYSJMHXAE-ZJUUUORDSA-N 2 0 259.350 -0.277 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[C@@H]1[NH+](C)C ZINC000423354813 354171191 /nfs/dbraw/zinc/17/11/91/354171191.db2.gz OALJMNJEBJUYNS-RYUDHWBXSA-N 2 0 296.415 -0.395 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000423363875 354172801 /nfs/dbraw/zinc/17/28/01/354172801.db2.gz CBGFGJIRJUXNMT-FRRDWIJNSA-N 2 0 296.415 -0.170 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1(C)C[NH2+]C1 ZINC000423383464 354173288 /nfs/dbraw/zinc/17/32/88/354173288.db2.gz FFKDHABMTOOAQL-LBPRGKRZSA-N 2 0 296.415 -0.345 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000423398924 354174946 /nfs/dbraw/zinc/17/49/46/354174946.db2.gz UJGPCQXKOPKCMZ-JTQLQIEISA-N 2 0 259.350 -0.275 20 0 CBADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N(C)CC[NH3+] ZINC000423411141 354175801 /nfs/dbraw/zinc/17/58/01/354175801.db2.gz FFKVXXUGRGUNKG-UHFFFAOYSA-N 2 0 286.420 -0.016 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000423440370 354176251 /nfs/dbraw/zinc/17/62/51/354176251.db2.gz XBQJMMRZNNYQSM-QWHCGFSZSA-N 2 0 298.431 -0.018 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422097843 354143324 /nfs/dbraw/zinc/14/33/24/354143324.db2.gz JEYHFGGPRFMETG-LBPRGKRZSA-N 2 0 284.404 -0.441 20 0 CBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000422263361 354145139 /nfs/dbraw/zinc/14/51/39/354145139.db2.gz SGANMVDTWAVZTN-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000422537458 354149118 /nfs/dbraw/zinc/14/91/18/354149118.db2.gz GUWNBEQIWZRARL-STQMWFEESA-N 2 0 291.351 -0.120 20 0 CBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000422699664 354151888 /nfs/dbraw/zinc/15/18/88/354151888.db2.gz AXUGAKVWGCWIMY-CQSZACIVSA-N 2 0 298.431 -0.493 20 0 CBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000422776427 354153860 /nfs/dbraw/zinc/15/38/60/354153860.db2.gz ANPUQZQOJCUZLK-NEPJUHHUSA-N 2 0 255.362 -0.036 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422967525 354158759 /nfs/dbraw/zinc/15/87/59/354158759.db2.gz CDENVJVSHZREIT-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422972968 354158825 /nfs/dbraw/zinc/15/88/25/354158825.db2.gz NGEVKSJNIYEGLK-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423058944 354161517 /nfs/dbraw/zinc/16/15/17/354161517.db2.gz DKNGTVRKVPPVQU-RWMBFGLXSA-N 2 0 296.415 -0.408 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC000423063087 354161721 /nfs/dbraw/zinc/16/17/21/354161721.db2.gz OIMMLRPLFJEJMB-NSHDSACASA-N 2 0 270.377 -0.783 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH2+]C)C2)C1 ZINC000423054626 354161881 /nfs/dbraw/zinc/16/18/81/354161881.db2.gz BXQABBWMMHSASM-STQMWFEESA-N 2 0 296.415 -0.251 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423121210 354162723 /nfs/dbraw/zinc/16/27/23/354162723.db2.gz IGIFVNYRYFPJNB-STQMWFEESA-N 2 0 296.415 -0.264 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423121207 354162725 /nfs/dbraw/zinc/16/27/25/354162725.db2.gz IGIFVNYRYFPJNB-CHWSQXEVSA-N 2 0 296.415 -0.264 20 0 CBADRP CN(CC[NH3+])C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000423164760 354163496 /nfs/dbraw/zinc/16/34/96/354163496.db2.gz ACKWGBKZWHAENY-CYBMUJFWSA-N 2 0 296.415 -0.120 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000423198957 354164292 /nfs/dbraw/zinc/16/42/92/354164292.db2.gz IUTJXWLBPXWZJS-QWHCGFSZSA-N 2 0 294.399 -0.367 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423516921 354178855 /nfs/dbraw/zinc/17/88/55/354178855.db2.gz HHCPGLZRQIGKIU-LLVKDONJSA-N 2 0 282.388 -0.511 20 0 CBADRP C[NH2+]CCCN(C)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000423589857 354181667 /nfs/dbraw/zinc/18/16/67/354181667.db2.gz IFQGEMAHCSHWQZ-ZDUSSCGKSA-N 2 0 298.431 -0.005 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000423586709 354181721 /nfs/dbraw/zinc/18/17/21/354181721.db2.gz DXMRRHRFWHQIBI-OLZOCXBDSA-N 2 0 296.415 -0.252 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423596461 354182589 /nfs/dbraw/zinc/18/25/89/354182589.db2.gz RVDSYFHLZVEENB-ZDUSSCGKSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000423597431 354182927 /nfs/dbraw/zinc/18/29/27/354182927.db2.gz UCDRWUYNPZSSBN-QWHCGFSZSA-N 2 0 296.415 -0.252 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000423606901 354184168 /nfs/dbraw/zinc/18/41/68/354184168.db2.gz LVIKPLGVPSGIAA-NEPJUHHUSA-N 2 0 282.388 -0.641 20 0 CBADRP CCN1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423623838 354185763 /nfs/dbraw/zinc/18/57/63/354185763.db2.gz CICBSZIABABGSN-RYUDHWBXSA-N 2 0 282.388 -0.641 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)[C@H](C)C[NH2+]1 ZINC000423626019 354186919 /nfs/dbraw/zinc/18/69/19/354186919.db2.gz FCSIHRHKLSOXCG-JHJVBQTASA-N 2 0 296.415 -0.395 20 0 CBADRP CCCN(C(=O)C(=O)N(C)CC[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000423659920 354189559 /nfs/dbraw/zinc/18/95/59/354189559.db2.gz IWVUGPLAQOGZFV-LBPRGKRZSA-N 2 0 284.404 -0.393 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)C1 ZINC000423666454 354189847 /nfs/dbraw/zinc/18/98/47/354189847.db2.gz LXGOAEMCSDPGPP-QNWHQSFQSA-N 2 0 296.415 -0.267 20 0 CBADRP CCCCN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423665653 354190379 /nfs/dbraw/zinc/19/03/79/354190379.db2.gz KEKGFUKFTFXTSW-QNWHQSFQSA-N 2 0 267.373 -0.179 20 0 CBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000423712310 354193105 /nfs/dbraw/zinc/19/31/05/354193105.db2.gz CXJTUKMVXUOQRB-STQMWFEESA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)C[C@H](C)[NH2+]1 ZINC000423729715 354194923 /nfs/dbraw/zinc/19/49/23/354194923.db2.gz VHDIUFCBMIXJJJ-FRRDWIJNSA-N 2 0 296.415 -0.252 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)C[C@H]1[NH3+] ZINC000423753893 354197047 /nfs/dbraw/zinc/19/70/47/354197047.db2.gz YSKXZYOZOBLAKC-WISYIIOYSA-N 2 0 282.388 -0.657 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000423749153 354197097 /nfs/dbraw/zinc/19/70/97/354197097.db2.gz VMQWYYRZHDVAJS-LBPRGKRZSA-N 2 0 273.377 -0.599 20 0 CBADRP COC[C@]1(C(=O)N2CC[NH+]3CCC2CC3)CC[NH2+]C1 ZINC000423759163 354198066 /nfs/dbraw/zinc/19/80/66/354198066.db2.gz OFNQPKBKBNCLRG-AWEZNQCLSA-N 2 0 267.373 -0.081 20 0 CBADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)CNC(=O)C[NH3+] ZINC000423764396 354198512 /nfs/dbraw/zinc/19/85/12/354198512.db2.gz SVELDWCBQKUGBO-UHFFFAOYSA-N 2 0 284.404 -0.216 20 0 CBADRP C[NH2+]CCCN(C)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000424016686 354207380 /nfs/dbraw/zinc/20/73/80/354207380.db2.gz DDGOADSQBHRYAS-LBPRGKRZSA-N 2 0 284.404 -0.536 20 0 CBADRP O=C(NCC[C@H]1CC[NH2+]C1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424078113 354208864 /nfs/dbraw/zinc/20/88/64/354208864.db2.gz PPTXETCLXJQIDP-VXGBXAGGSA-N 2 0 292.387 -0.068 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424078109 354209225 /nfs/dbraw/zinc/20/92/25/354209225.db2.gz PPTXETCLXJQIDP-NWDGAFQWSA-N 2 0 292.387 -0.068 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000424140072 354211425 /nfs/dbraw/zinc/21/14/25/354211425.db2.gz AYDAHHLWGKUXLV-FRRDWIJNSA-N 2 0 267.373 -0.096 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424156811 354212077 /nfs/dbraw/zinc/21/20/77/354212077.db2.gz MIBWBHHSHHTDRA-DTWKUNHWSA-N 2 0 251.334 -0.046 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000424153547 354212412 /nfs/dbraw/zinc/21/24/12/354212412.db2.gz KDRIVOTUZZXYHL-NWDGAFQWSA-N 2 0 280.372 -0.900 20 0 CBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000424160985 354212546 /nfs/dbraw/zinc/21/25/46/354212546.db2.gz BCLUSKVPKLSAOZ-DJLDLDEBSA-N 2 0 280.294 -0.714 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424165454 354213037 /nfs/dbraw/zinc/21/30/37/354213037.db2.gz FRWRIIZBDAXXCQ-DNJQJEMRSA-N 2 0 275.356 -0.176 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424168564 354213317 /nfs/dbraw/zinc/21/33/17/354213317.db2.gz GCOFRVXZMAFBOE-NEPJUHHUSA-N 2 0 254.378 -0.571 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424165466 354213367 /nfs/dbraw/zinc/21/33/67/354213367.db2.gz FRWRIIZBDAXXCQ-QISWUMQESA-N 2 0 275.356 -0.176 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)COC1C[NH2+]C1 ZINC000430681680 354250457 /nfs/dbraw/zinc/25/04/57/354250457.db2.gz FLUVYCFKPZHBPN-NSHDSACASA-N 2 0 255.362 -0.225 20 0 CBADRP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000430901468 354250826 /nfs/dbraw/zinc/25/08/26/354250826.db2.gz USKLPKBIUDVLIY-VXGBXAGGSA-N 2 0 253.346 -0.330 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000431013215 354251387 /nfs/dbraw/zinc/25/13/87/354251387.db2.gz HWKVZCCIMGWZOO-QWHCGFSZSA-N 2 0 270.421 -0.158 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000431059627 354251765 /nfs/dbraw/zinc/25/17/65/354251765.db2.gz WMCUNCMDQSWEJI-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000431015662 354251835 /nfs/dbraw/zinc/25/18/35/354251835.db2.gz PZGVCBMTRJMWBJ-CHWSQXEVSA-N 2 0 268.405 -0.404 20 0 CBADRP COCC[C@@]1(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC[NH2+]C1 ZINC000431004187 354251890 /nfs/dbraw/zinc/25/18/90/354251890.db2.gz IQJMDNRISQMSRP-HIFRSBDPSA-N 2 0 298.431 -0.635 20 0 CBADRP C[C@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)[NH+](C)C ZINC000433376691 354253180 /nfs/dbraw/zinc/25/31/80/354253180.db2.gz OKMODAQFVDZMLW-MNOVXSKESA-N 2 0 280.376 -0.118 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC([NH2+]CC2CC2)CC1 ZINC000444157880 354262067 /nfs/dbraw/zinc/26/20/67/354262067.db2.gz PFSAJVKRTUTYII-CYBMUJFWSA-N 2 0 267.373 -0.035 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444164747 354262112 /nfs/dbraw/zinc/26/21/12/354262112.db2.gz GGPZGKFCJBARBF-VXGBXAGGSA-N 2 0 255.362 -0.179 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444172946 354262974 /nfs/dbraw/zinc/26/29/74/354262974.db2.gz SLTRJPSXDHKIEK-GFCCVEGCSA-N 2 0 282.388 -0.639 20 0 CBADRP COCC(C)(C)[NH+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000424216550 354219072 /nfs/dbraw/zinc/21/90/72/354219072.db2.gz ISNGZZZMPDPEIQ-CYBMUJFWSA-N 2 0 299.415 -0.066 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424215338 354219140 /nfs/dbraw/zinc/21/91/40/354219140.db2.gz FRLGLIHMOICRGU-KXUCPTDWSA-N 2 0 257.334 -0.347 20 0 CBADRP COC[C@@H]([NH3+])C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424220608 354219916 /nfs/dbraw/zinc/21/99/16/354219916.db2.gz ALKWDHDHKJXZJT-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP COC[C@@H]([NH3+])C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424220611 354220544 /nfs/dbraw/zinc/22/05/44/354220544.db2.gz ALKWDHDHKJXZJT-WDEREUQCSA-N 2 0 255.362 -0.049 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424239960 354220966 /nfs/dbraw/zinc/22/09/66/354220966.db2.gz OUMDSYHTORKWSD-MNOVXSKESA-N 2 0 255.362 -0.049 20 0 CBADRP Cn1cc([C@@H]2OCC[C@H]2[NH2+]CCN2CC[NH2+]CC2)cn1 ZINC000424289603 354223009 /nfs/dbraw/zinc/22/30/09/354223009.db2.gz MCBGFPHMSMKWMU-KGLIPLIRSA-N 2 0 279.388 -0.255 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424477002 354225514 /nfs/dbraw/zinc/22/55/14/354225514.db2.gz KWUIRMQXSVZTGY-RWMBFGLXSA-N 2 0 294.403 -0.161 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1C[NH2+]CCO1 ZINC000446284795 354286019 /nfs/dbraw/zinc/28/60/19/354286019.db2.gz QDOWETVYWAKBNI-TUAOUCFPSA-N 2 0 253.346 -0.282 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)N1CC[NH+](C)CC1 ZINC000446374936 354286535 /nfs/dbraw/zinc/28/65/35/354286535.db2.gz RBRIEIUWHKSFSL-SDDRHHMPSA-N 2 0 272.368 -0.562 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)NCCCC[NH+]1CCOCC1 ZINC000447437163 354298364 /nfs/dbraw/zinc/29/83/64/354298364.db2.gz BNJCBORLLODAHY-GFCCVEGCSA-N 2 0 273.377 -0.421 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000447442735 354298400 /nfs/dbraw/zinc/29/84/00/354298400.db2.gz TWVJZCNJZMTINW-ZDUSSCGKSA-N 2 0 286.420 -0.506 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000447434500 354298554 /nfs/dbraw/zinc/29/85/54/354298554.db2.gz HCYGAZWMZXBXDV-STQMWFEESA-N 2 0 285.388 -0.469 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NCCCC[NH+]1CCOCC1 ZINC000447437164 354298578 /nfs/dbraw/zinc/29/85/78/354298578.db2.gz BNJCBORLLODAHY-LBPRGKRZSA-N 2 0 273.377 -0.421 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000447523410 354299915 /nfs/dbraw/zinc/29/99/15/354299915.db2.gz UEXDSQDPBUYPOT-CHWSQXEVSA-N 2 0 268.405 -0.119 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444266212 354267277 /nfs/dbraw/zinc/26/72/77/354267277.db2.gz IHTZXXZOWKYRQM-NWDGAFQWSA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444272116 354267840 /nfs/dbraw/zinc/26/78/40/354267840.db2.gz VYHLJDZJBXMVGC-NFAWXSAZSA-N 2 0 280.416 -0.262 20 0 CBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000444273074 354267877 /nfs/dbraw/zinc/26/78/77/354267877.db2.gz ZQYLWBFQEAHZMF-VXGBXAGGSA-N 2 0 253.346 -0.471 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000449703050 354321463 /nfs/dbraw/zinc/32/14/63/354321463.db2.gz VOMQMMWYFGYWNY-XQQFMLRXSA-N 2 0 268.405 -0.121 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000449703049 354321821 /nfs/dbraw/zinc/32/18/21/354321821.db2.gz VOMQMMWYFGYWNY-UPJWGTAASA-N 2 0 268.405 -0.121 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCN3CCC4)C[C@@H]21 ZINC000452968401 354353345 /nfs/dbraw/zinc/35/33/45/354353345.db2.gz BSSBXQZLODOQBF-HZSPNIEDSA-N 2 0 278.400 -0.461 20 0 CBADRP C[NH+](C)CCOCCNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000458703196 354379611 /nfs/dbraw/zinc/37/96/11/354379611.db2.gz WHWYZAONCOKQHH-QWHCGFSZSA-N 2 0 284.404 -0.090 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000459905278 354393133 /nfs/dbraw/zinc/39/31/33/354393133.db2.gz NNCKPXQGHQEOCU-NWDGAFQWSA-N 2 0 282.388 -0.831 20 0 CBADRP CN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000479292721 354407626 /nfs/dbraw/zinc/40/76/26/354407626.db2.gz BALMCPJXMAADGJ-QJPTWQEYSA-N 2 0 253.346 -0.596 20 0 CBADRP C[C@@H]1COCCN1CCNC(=O)/C=C/C[NH+](C)C ZINC000491869304 354460809 /nfs/dbraw/zinc/46/08/09/354460809.db2.gz NABRCUAAXLRPJD-ZYOFXKKJSA-N 2 0 255.362 -0.059 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)/C=C\C[NH+](C)C ZINC000491909162 354461968 /nfs/dbraw/zinc/46/19/68/354461968.db2.gz WNPHCLYUJRHCTH-SZZPACECSA-N 2 0 268.405 -0.144 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000496166841 354535522 /nfs/dbraw/zinc/53/55/22/354535522.db2.gz DPBBVHCGKYCYPK-UTUOFQBUSA-N 2 0 271.361 -0.271 20 0 CBADRP C[C@H](NC(=O)/C=C/C[NH+](C)C)C(=O)NCC[NH+](C)C ZINC000493172474 354489490 /nfs/dbraw/zinc/48/94/90/354489490.db2.gz QVTMZOMIQQTKDI-MLRMMBSGSA-N 2 0 270.377 -0.713 20 0 CBADRP C[C@@H](NC(=O)/C=C\C[NH+](C)C)C(=O)NCC[NH+](C)C ZINC000493172473 354489536 /nfs/dbraw/zinc/48/95/36/354489536.db2.gz QVTMZOMIQQTKDI-JMEBYUIHSA-N 2 0 270.377 -0.713 20 0 CBADRP COC(=O)[C@@H]1CN(C(=O)/C=C/C[NH+](C)C)CC[N@H+](C)C1 ZINC000493236643 354491628 /nfs/dbraw/zinc/49/16/28/354491628.db2.gz HKLWVVKPVOCIFY-FYJFLYSWSA-N 2 0 283.372 -0.333 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000515523115 354555873 /nfs/dbraw/zinc/55/58/73/354555873.db2.gz OFXMTXKBSIXWGH-WOPDTQHZSA-N 2 0 269.393 -0.731 20 0 CBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000515673314 354556096 /nfs/dbraw/zinc/55/60/96/354556096.db2.gz URRIUYVZXPIMQL-QWRGUYRKSA-N 2 0 268.361 -0.983 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000518530777 354558359 /nfs/dbraw/zinc/55/83/59/354558359.db2.gz HLTRVWDHKPIDSO-UWVGGRQHSA-N 2 0 256.350 -0.963 20 0 CBADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000535715278 354602285 /nfs/dbraw/zinc/60/22/85/354602285.db2.gz JXPLZVLJNYBKRU-DZGCQCFKSA-N 2 0 292.427 -0.023 20 0 CBADRP C[NH+](C)C[C@H]1CCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000519546235 354562902 /nfs/dbraw/zinc/56/29/02/354562902.db2.gz UFANQHZNHRGOOE-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@]2(O)C[NH+]3CCC2CC3)C1 ZINC000519551415 354563870 /nfs/dbraw/zinc/56/38/70/354563870.db2.gz LXXBASAIAWJQDD-WFASDCNBSA-N 2 0 281.400 -0.099 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000519609417 354564858 /nfs/dbraw/zinc/56/48/58/354564858.db2.gz NYHYNPULNIASLS-ZJUUUORDSA-N 2 0 259.350 -0.244 20 0 CBADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)C[NH2+]CC3CC3)C2)nn1 ZINC000520405342 354566834 /nfs/dbraw/zinc/56/68/34/354566834.db2.gz HQZWQMKHWGMEQJ-ZDUSSCGKSA-N 2 0 292.387 -0.100 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000520430937 354567862 /nfs/dbraw/zinc/56/78/62/354567862.db2.gz RWKFUSXVORHDAS-OLZOCXBDSA-N 2 0 296.415 -0.299 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000529303579 354583641 /nfs/dbraw/zinc/58/36/41/354583641.db2.gz ABLLDCWSJKSOIM-GHMZBOCLSA-N 2 0 268.361 -0.489 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529310103 354584058 /nfs/dbraw/zinc/58/40/58/354584058.db2.gz PAZMLBKAUZBNCQ-QWRGUYRKSA-N 2 0 256.350 -0.632 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2COCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000529316825 354584908 /nfs/dbraw/zinc/58/49/08/354584908.db2.gz PLMSZLLITFHQKN-GRYCIOLGSA-N 2 0 282.388 -0.101 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000529389700 354585988 /nfs/dbraw/zinc/58/59/88/354585988.db2.gz SFGHNZCSSIKRHB-CMPLNLGQSA-N 2 0 268.361 -0.489 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@@H]3COCC[NH2+]3)C[C@H]21 ZINC000529390166 354586113 /nfs/dbraw/zinc/58/61/13/354586113.db2.gz SZXZFFCQKBGFBQ-FDYHWXHSSA-N 2 0 282.388 -0.256 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529390418 354586142 /nfs/dbraw/zinc/58/61/42/354586142.db2.gz TYHFNEDWRBMBJA-QWRGUYRKSA-N 2 0 256.350 -0.645 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)[C@@H](C)C[NH2+]1 ZINC000529390508 354586152 /nfs/dbraw/zinc/58/61/52/354586152.db2.gz VGEKUOLBEOWXNJ-VWYCJHECSA-N 2 0 256.350 -0.633 20 0 CBADRP CN(C)C(=O)C[NH+](C)CCCC[N@@H+](C)CC(=O)N(C)C ZINC000535010756 354598782 /nfs/dbraw/zinc/59/87/82/354598782.db2.gz IBGLIBIQUDNDPY-UHFFFAOYSA-N 2 0 286.420 -0.193 20 0 CBADRP C[NH+]1CCC[C@@H]1CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000546591309 354653627 /nfs/dbraw/zinc/65/36/27/354653627.db2.gz ZQZLFFCETFMGCW-DGCLKSJQSA-N 2 0 270.377 -0.554 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000557256470 354685980 /nfs/dbraw/zinc/68/59/80/354685980.db2.gz VDGBWRGEJLUKCO-NSHDSACASA-N 2 0 272.393 -0.441 20 0 CBADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000557265150 354686165 /nfs/dbraw/zinc/68/61/65/354686165.db2.gz AFDKLHAZIAWMLM-UTUOFQBUSA-N 2 0 296.415 -0.443 20 0 CBADRP CN(C(=O)NC[C@H]1C[NH2+]CCN1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000562821209 354688678 /nfs/dbraw/zinc/68/86/78/354688678.db2.gz ZYBBVMFDHMICPM-ZIAGYGMSSA-N 2 0 295.431 -0.232 20 0 CBADRP CN(C(=O)NC[C@H]1C[NH2+]CCN1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000562821208 354688929 /nfs/dbraw/zinc/68/89/29/354688929.db2.gz ZYBBVMFDHMICPM-UONOGXRCSA-N 2 0 295.431 -0.232 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCN2C)C[C@H](C)[N@H+]1C ZINC000562821074 354689139 /nfs/dbraw/zinc/68/91/39/354689139.db2.gz VJTYXDMGFCMURO-XQQFMLRXSA-N 2 0 283.420 -0.376 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000562831826 354689196 /nfs/dbraw/zinc/68/91/96/354689196.db2.gz QKDNVESZOOOWNV-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000563012336 354691235 /nfs/dbraw/zinc/69/12/35/354691235.db2.gz SOPHPKJIKNFPSP-UPJWGTAASA-N 2 0 259.394 -0.392 20 0 CBADRP C[C@H]1CN(CCO)CCN1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000563034939 354692656 /nfs/dbraw/zinc/69/26/56/354692656.db2.gz DNWUYUHKZMWVHJ-QWHCGFSZSA-N 2 0 296.415 -0.069 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000563074833 354694451 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CC[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)[C@@H](O)C(C)C ZINC000563139328 354699242 /nfs/dbraw/zinc/69/92/42/354699242.db2.gz YURNXTYAHREZKY-KKUMJFAQSA-N 2 0 287.448 -0.020 20 0 CBADRP C[NH2+]C[C@@H]1CCN(CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000563216250 354702772 /nfs/dbraw/zinc/70/27/72/354702772.db2.gz UQRGJZGKJZKCBX-LBPRGKRZSA-N 2 0 279.388 -0.080 20 0 CBADRP CC(C)[NH+]1CCC(NC(=O)CN(C)C[C@H](O)C[NH3+])CC1 ZINC000563216324 354703625 /nfs/dbraw/zinc/70/36/25/354703625.db2.gz XRQFYAOWKCVMMX-CYBMUJFWSA-N 2 0 286.420 -0.773 20 0 CBADRP COCC[N@H+](C)CCC[NH2+]CCC(=O)NC(N)=O ZINC000563806085 354705239 /nfs/dbraw/zinc/70/52/39/354705239.db2.gz NXKAEGAUNNWUBQ-UHFFFAOYSA-N 2 0 260.338 -0.871 20 0 CBADRP [NH3+][C@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)C1CCC1 ZINC000563956486 354707961 /nfs/dbraw/zinc/70/79/61/354707961.db2.gz SSOMDUOGJMYAFX-STQMWFEESA-N 2 0 266.389 -0.380 20 0 CBADRP CC[C@H](C)[C@H](O)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000564656963 354715002 /nfs/dbraw/zinc/71/50/02/354715002.db2.gz OPGLJBMCBHERPW-BFHYXJOUSA-N 2 0 273.421 -0.409 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1CCC(=O)N1CC[NH2+]CC1 ZINC000564799327 354717504 /nfs/dbraw/zinc/71/75/04/354717504.db2.gz UOQCJHXCUHUJRC-ZDUSSCGKSA-N 2 0 268.405 -0.118 20 0 CBADRP O=C(C[NH2+]C[C@@H]1CCCO1)NCCNc1cc[nH+]cc1 ZINC000564914510 354720581 /nfs/dbraw/zinc/72/05/81/354720581.db2.gz ILCHAVFOSNZELP-ZDUSSCGKSA-N 2 0 278.356 -0.200 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000564969462 354722627 /nfs/dbraw/zinc/72/26/27/354722627.db2.gz XUSUXRPVRRQZHQ-OLZOCXBDSA-N 3 0 268.405 -0.227 20 0 CBADRP CN1CCN(C(=O)CCN2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000564986661 354723467 /nfs/dbraw/zinc/72/34/67/354723467.db2.gz BTSOWMQTJRNGAE-KGLIPLIRSA-N 3 0 280.416 -0.308 20 0 CBADRP [NH3+]C1(CNC(=O)C2(n3cccn3)CC[NH2+]CC2)CCC1 ZINC000564993351 354724904 /nfs/dbraw/zinc/72/49/04/354724904.db2.gz UORWDQJKKNKIQN-UHFFFAOYSA-N 2 0 277.372 -0.041 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC000556737241 354680755 /nfs/dbraw/zinc/68/07/55/354680755.db2.gz QJLYXXNGNBTODD-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP COC[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000556804847 354682405 /nfs/dbraw/zinc/68/24/05/354682405.db2.gz SXCZFGPHCPDZLF-CQSZACIVSA-N 2 0 294.399 -0.070 20 0 CBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CCN2C1=O ZINC000565785940 354746970 /nfs/dbraw/zinc/74/69/70/354746970.db2.gz HMEQTWNUSPZVCM-STQMWFEESA-N 2 0 299.334 -0.282 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000565930930 354748858 /nfs/dbraw/zinc/74/88/58/354748858.db2.gz ZXGXOLUJJDKILU-GJZGRUSLSA-N 2 0 285.432 -0.047 20 0 CBADRP COCC1(CNC(=O)C[C@@H](C[NH3+])OC)CC[NH2+]CC1 ZINC000565950011 354748933 /nfs/dbraw/zinc/74/89/33/354748933.db2.gz IOTGODPDZACPIW-NSHDSACASA-N 2 0 273.377 -0.517 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2COCC2(C)C)CC1 ZINC000566064055 354751621 /nfs/dbraw/zinc/75/16/21/354751621.db2.gz XPEUUQZPRSJJRC-OLZOCXBDSA-N 2 0 271.405 -0.391 20 0 CBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000566091789 354751689 /nfs/dbraw/zinc/75/16/89/354751689.db2.gz CVKGKZJIOIDUQS-NWDGAFQWSA-N 2 0 284.404 -0.395 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000566068824 354751886 /nfs/dbraw/zinc/75/18/86/354751886.db2.gz FLLKKEGEAQFACA-UPJWGTAASA-N 2 0 294.399 -0.606 20 0 CBADRP C[C@](C[NH3+])(NC(=O)c1cn(CCC[NH3+])nn1)C1CC1 ZINC000566100402 354752505 /nfs/dbraw/zinc/75/25/05/354752505.db2.gz MPVHTHXGJMWUHR-GFCCVEGCSA-N 2 0 266.349 -0.516 20 0 CBADRP CCOC[C@@H](O)C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000566117586 354753783 /nfs/dbraw/zinc/75/37/83/354753783.db2.gz PFIAIQIZPGGZKC-KBPBESRZSA-N 2 0 273.421 -0.143 20 0 CBADRP C[C@H](CNC(=O)[C@H]([NH3+])C1CCC1)N1CC[NH+](C)CC1 ZINC000566177646 354755157 /nfs/dbraw/zinc/75/51/57/354755157.db2.gz LDRSKGVSGKLPLF-DGCLKSJQSA-N 2 0 268.405 -0.134 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000566189641 354755801 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CBADRP O=C(CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000566244875 354759284 /nfs/dbraw/zinc/75/92/84/354759284.db2.gz KDUOMYLLQBQETI-HNNXBMFYSA-N 3 0 280.416 -0.116 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC1=CC[NH2+]CC1 ZINC000566249047 354759787 /nfs/dbraw/zinc/75/97/87/354759787.db2.gz RIMBFFRIDRCVKX-LBPRGKRZSA-N 2 0 268.361 -0.878 20 0 CBADRP [NH3+]CCOc1ccc(NC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000566507460 354770022 /nfs/dbraw/zinc/77/00/22/354770022.db2.gz CDASANADWLWYJO-UHFFFAOYSA-N 2 0 290.327 -0.173 20 0 CBADRP CN(CC(C)(C)C[NH3+])C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000566562358 354770745 /nfs/dbraw/zinc/77/07/45/354770745.db2.gz ZSFMXOJHIHSTTB-JTQLQIEISA-N 2 0 270.377 -0.702 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000566556608 354771030 /nfs/dbraw/zinc/77/10/30/354771030.db2.gz JUYCSHYUAOZWQH-WRWGMCAJSA-N 2 0 253.346 -0.426 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000566618418 354771857 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280.372 -0.983 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCC[NH3+] ZINC000565256036 354735661 /nfs/dbraw/zinc/73/56/61/354735661.db2.gz YJZDVHOXOWJHJV-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP CN1CCN(C(=O)NCCC[NH2+]C2CC2)[C@H](C[NH3+])C1 ZINC000565412920 354737577 /nfs/dbraw/zinc/73/75/77/354737577.db2.gz WCNTZAYZPBELKH-GFCCVEGCSA-N 2 0 269.393 -0.587 20 0 CBADRP CN1CCN(C(=O)NCCC[NH2+]C2CC2)[C@@H](C[NH3+])C1 ZINC000565412921 354737804 /nfs/dbraw/zinc/73/78/04/354737804.db2.gz WCNTZAYZPBELKH-LBPRGKRZSA-N 2 0 269.393 -0.587 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000565412433 354738110 /nfs/dbraw/zinc/73/81/10/354738110.db2.gz KTWAKDLBBBFEEI-UONOGXRCSA-N 2 0 295.431 -0.230 20 0 CBADRP C[C@@H]([NH2+]CCC(=O)NC(N)=O)C1=CC[N@H+](C)CC1 ZINC000565416687 354738160 /nfs/dbraw/zinc/73/81/60/354738160.db2.gz BDSHLPACPSXSEV-SECBINFHSA-N 2 0 254.334 -0.189 20 0 CBADRP O=C([C@@H]1CC12CC[NH2+]CC2)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000565537336 354740358 /nfs/dbraw/zinc/74/03/58/354740358.db2.gz BKQCJKATCWBDCS-KGLIPLIRSA-N 2 0 292.427 -0.118 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000565656193 354743356 /nfs/dbraw/zinc/74/33/56/354743356.db2.gz JLIVNSCCLAJCRM-RWMBFGLXSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COC1C[NH2+]C1 ZINC000567811716 354798314 /nfs/dbraw/zinc/79/83/14/354798314.db2.gz BFJNDFKLWXMOJZ-PWSUYJOCSA-N 2 0 255.362 -0.227 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000567848158 354800796 /nfs/dbraw/zinc/80/07/96/354800796.db2.gz YFCUZMFGCZPOLL-XBWDGYHZSA-N 2 0 261.329 -0.566 20 0 CBADRP COCCn1cc(CN2CCN(C)C[C@@H]2C[NH3+])cn1 ZINC000567871989 354802021 /nfs/dbraw/zinc/80/20/21/354802021.db2.gz OCWINZPYRILRAK-ZDUSSCGKSA-N 2 0 267.377 -0.396 20 0 CBADRP O[C@H](C[NH2+]C[C@H](O)Cn1cccn1)C[NH+]1CCCC1 ZINC000567875760 354802654 /nfs/dbraw/zinc/80/26/54/354802654.db2.gz KUUKSGXUUTYTNF-OLZOCXBDSA-N 2 0 268.361 -0.710 20 0 CBADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000567915802 354804949 /nfs/dbraw/zinc/80/49/49/354804949.db2.gz RMKCRHLYGCYNCG-HBNTYKKESA-N 2 0 255.362 -0.396 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H]1c1ccccc1F ZINC000567927105 354806414 /nfs/dbraw/zinc/80/64/14/354806414.db2.gz UGLCGPPWTWZQMV-BNQQVVLKSA-N 2 0 293.342 -0.198 20 0 CBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000567973510 354806645 /nfs/dbraw/zinc/80/66/45/354806645.db2.gz KTWTXSRKTACFMC-LBPRGKRZSA-N 2 0 282.388 -0.591 20 0 CBADRP C[C@H](NC(=O)CCOC1C[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000568076353 354809351 /nfs/dbraw/zinc/80/93/51/354809351.db2.gz GCHLPUGHJITBHF-QWRGUYRKSA-N 2 0 255.362 -0.131 20 0 CBADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)C1CCOCC1 ZINC000568166732 354812021 /nfs/dbraw/zinc/81/20/21/354812021.db2.gz RPOZAGVCACTOOQ-CHWSQXEVSA-N 2 0 260.378 -0.324 20 0 CBADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CO)C1CCOCC1 ZINC000568166734 354813504 /nfs/dbraw/zinc/81/35/04/354813504.db2.gz RPOZAGVCACTOOQ-QWHCGFSZSA-N 2 0 260.378 -0.324 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000568181501 354814442 /nfs/dbraw/zinc/81/44/42/354814442.db2.gz VCTWAMRVPOSFPQ-SOUVJXGZSA-N 2 0 285.432 -0.049 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000568230389 354816044 /nfs/dbraw/zinc/81/60/44/354816044.db2.gz YJWRBGJOHBMYQE-VXGBXAGGSA-N 2 0 254.378 -0.604 20 0 CBADRP CCCNC(=O)CN1CCC(NC(=O)[C@H](C)[NH2+]C)CC1 ZINC000568235471 354817470 /nfs/dbraw/zinc/81/74/70/354817470.db2.gz PCOWBGCSVMPMMS-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000568292727 354820093 /nfs/dbraw/zinc/82/00/93/354820093.db2.gz ULUICGXZCKTQMZ-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP CC[NH+](CC)CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568286790 354820173 /nfs/dbraw/zinc/82/01/73/354820173.db2.gz GQVGDFFVSJWNGM-NWDGAFQWSA-N 2 0 297.403 -0.718 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000568292729 354820610 /nfs/dbraw/zinc/82/06/10/354820610.db2.gz ULUICGXZCKTQMZ-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000568390416 354822310 /nfs/dbraw/zinc/82/23/10/354822310.db2.gz MGEWYGMNXVTOIC-VXGBXAGGSA-N 2 0 267.373 -0.177 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000568389417 354822758 /nfs/dbraw/zinc/82/27/58/354822758.db2.gz IMSNPQPVWFWHBB-PWSUYJOCSA-N 2 0 255.362 -0.036 20 0 CBADRP CNC(=O)NC(=O)CC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000568392601 354823264 /nfs/dbraw/zinc/82/32/64/354823264.db2.gz MZPINPTYQXZYKN-LLVKDONJSA-N 2 0 298.387 -0.481 20 0 CBADRP C[C@H]1CN(C[C@H]2CCCN(C(=O)C[NH3+])C2)CC[NH2+]1 ZINC000568391623 354823736 /nfs/dbraw/zinc/82/37/36/354823736.db2.gz HKUHWRCKJCNLGX-NWDGAFQWSA-N 2 0 254.378 -0.523 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000568512187 354825177 /nfs/dbraw/zinc/82/51/77/354825177.db2.gz NTUZUZQGBWZEMW-ZDUSSCGKSA-N 2 0 271.361 -0.321 20 0 CBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000568507848 354825587 /nfs/dbraw/zinc/82/55/87/354825587.db2.gz MEPHCZGCPWVPGT-TUAOUCFPSA-N 2 0 280.372 -0.793 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000568527152 354826161 /nfs/dbraw/zinc/82/61/61/354826161.db2.gz QKCZNADIXDXYKV-MNOVXSKESA-N 2 0 271.361 -0.181 20 0 CBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000568527154 354826766 /nfs/dbraw/zinc/82/67/66/354826766.db2.gz QKCZNADIXDXYKV-WDEREUQCSA-N 2 0 271.361 -0.181 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000568629019 354828554 /nfs/dbraw/zinc/82/85/54/354828554.db2.gz UHECXFIEPSASJG-IJLUTSLNSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000567671291 354793799 /nfs/dbraw/zinc/79/37/99/354793799.db2.gz OBDVBDIXGWFKAE-GRYCIOLGSA-N 2 0 254.378 -0.606 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)CCCO1 ZINC000567732818 354795118 /nfs/dbraw/zinc/79/51/18/354795118.db2.gz WVJSTSKKIBEBNX-MNOVXSKESA-N 2 0 273.402 -0.342 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000567772273 354796492 /nfs/dbraw/zinc/79/64/92/354796492.db2.gz NAFAXKFRDHRYJK-NWDGAFQWSA-N 2 0 292.387 -0.146 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000567772272 354796513 /nfs/dbraw/zinc/79/65/13/354796513.db2.gz NAFAXKFRDHRYJK-NEPJUHHUSA-N 2 0 292.387 -0.146 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)NCCNc1cc[nH+]cc1 ZINC000567786907 354797359 /nfs/dbraw/zinc/79/73/59/354797359.db2.gz UHBHVTAWQLQWPK-GFCCVEGCSA-N 2 0 264.329 -0.590 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000570817219 354870674 /nfs/dbraw/zinc/87/06/74/354870674.db2.gz IZQKMYLZUBNTPY-LBPRGKRZSA-N 2 0 296.415 -0.156 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[N@@H+]2CC[C@H](C)C2)C1 ZINC000569224976 354840152 /nfs/dbraw/zinc/84/01/52/354840152.db2.gz IHLYWWIAPRRMHJ-SDDRHHMPSA-N 2 0 255.362 -0.179 20 0 CBADRP CCOC(=O)C1([C@H](C)NC2C[NH2+]C2)CC[NH2+]CC1 ZINC000569330396 354842934 /nfs/dbraw/zinc/84/29/34/354842934.db2.gz WUKAXFYBIRLZJT-JTQLQIEISA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000569327506 354843204 /nfs/dbraw/zinc/84/32/04/354843204.db2.gz RRLAMFFDTRSJDC-ZIAGYGMSSA-N 2 0 280.416 -0.071 20 0 CBADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000569692465 354844091 /nfs/dbraw/zinc/84/40/91/354844091.db2.gz BBPGPGIYTGDHLN-GHMZBOCLSA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH2+]CC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000569692436 354844259 /nfs/dbraw/zinc/84/42/59/354844259.db2.gz AMPCPCRWKXMHQM-UHFFFAOYSA-N 2 0 254.378 -0.462 20 0 CBADRP CCCN(C(=O)c1cn(CC[NH3+])nn1)[C@@H]1CC[NH2+]C1 ZINC000569745277 354845916 /nfs/dbraw/zinc/84/59/16/354845916.db2.gz PFOIPZURTAIOKY-SNVBAGLBSA-N 2 0 266.349 -0.549 20 0 CBADRP O=C(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)N1CC[NH2+]CC1 ZINC000569957267 354850388 /nfs/dbraw/zinc/85/03/88/354850388.db2.gz UTNOPWCGAPGBGW-BNOWGMLFSA-N 2 0 279.384 -0.035 20 0 CBADRP [NH3+][C@@H](C(=O)NCCCN1CC[NH2+]CC1)C1CCC1 ZINC000571760915 354878740 /nfs/dbraw/zinc/87/87/40/354878740.db2.gz UYUULBLUAICWRS-GFCCVEGCSA-N 2 0 254.378 -0.475 20 0 CBADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000570272432 354857792 /nfs/dbraw/zinc/85/77/92/354857792.db2.gz CIQVENZLTBHSDN-VNQPRFMTSA-N 2 0 296.459 -0.333 20 0 CBADRP CN1CCN(C(=O)CNC(=O)C2CCCCC2)[C@@H](C[NH3+])C1 ZINC000570395136 354860291 /nfs/dbraw/zinc/86/02/91/354860291.db2.gz DTWOCJVWVBLEBC-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000570399868 354861168 /nfs/dbraw/zinc/86/11/68/354861168.db2.gz NZGBYZPQPLWSBV-GUTXKFCHSA-N 2 0 280.416 -0.119 20 0 CBADRP CN1CCN(C(=O)NCC[N@H+](C)C2CC2)[C@@H](C[NH3+])C1 ZINC000570424684 354861289 /nfs/dbraw/zinc/86/12/89/354861289.db2.gz GENXVEILAASDBI-LBPRGKRZSA-N 3 0 269.393 -0.635 20 0 CBADRP CC[N@@H+]1CCN(C[C@H](O)C[NH+](C)CCOC)[C@@H](C)C1 ZINC000570580459 354864747 /nfs/dbraw/zinc/86/47/47/354864747.db2.gz XDUBJHRCGKKYAA-UONOGXRCSA-N 2 0 273.421 -0.049 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000342766806 291045793 /nfs/dbraw/zinc/04/57/93/291045793.db2.gz XNYVNEZAHAXVKZ-WDEREUQCSA-N 2 0 271.361 -0.181 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000572039541 354886271 /nfs/dbraw/zinc/88/62/71/354886271.db2.gz PTOXORSVWWJSLJ-SRVKXCTJSA-N 2 0 284.404 -0.219 20 0 CBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)COC3C[NH2+]C3)C2)CC1 ZINC000572281774 354890731 /nfs/dbraw/zinc/89/07/31/354890731.db2.gz ROMBSLISEXJEJQ-CYBMUJFWSA-N 2 0 296.415 -0.787 20 0 CBADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000572494540 354892240 /nfs/dbraw/zinc/89/22/40/354892240.db2.gz YQLYEMSPDLFIGK-IJLUTSLNSA-N 2 0 257.378 -0.067 20 0 CBADRP CCC[NH2+][C@H](C)C(=O)NCCN1CC[NH+](C)CC1 ZINC000572486657 354892450 /nfs/dbraw/zinc/89/24/50/354892450.db2.gz DFSMTZIOAKDBSB-GFCCVEGCSA-N 2 0 256.394 -0.262 20 0 CBADRP C[C@@H](NC(=O)CCCC[NH+](C)C)C(=O)NCC[NH+](C)C ZINC000572496760 354892555 /nfs/dbraw/zinc/89/25/55/354892555.db2.gz VXAXPBFTIVQPBR-GFCCVEGCSA-N 2 0 286.420 -0.099 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000572768905 354897096 /nfs/dbraw/zinc/89/70/96/354897096.db2.gz KOKNGPIANFVKLN-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CCC(CC)(CO)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000572842224 354899057 /nfs/dbraw/zinc/89/90/57/354899057.db2.gz WSAAJKXLGQLOJI-AWEZNQCLSA-N 2 0 287.448 -0.017 20 0 CBADRP [NH3+]C[C@H](NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C1CC1 ZINC000573204575 354906793 /nfs/dbraw/zinc/90/67/93/354906793.db2.gz BZTANVKZDKFRTR-MNOVXSKESA-N 2 0 278.360 -0.503 20 0 CBADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000573189985 354906818 /nfs/dbraw/zinc/90/68/18/354906818.db2.gz MYBACZBQFPENKM-ZIAGYGMSSA-N 2 0 297.447 -0.079 20 0 CBADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000573308929 354910325 /nfs/dbraw/zinc/91/03/25/354910325.db2.gz UOMSFUHCHYOWIR-ZDUSSCGKSA-N 2 0 283.420 -0.373 20 0 CBADRP C[NH2+]CCCC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000573443294 354912835 /nfs/dbraw/zinc/91/28/35/354912835.db2.gz DRKCZMIOGYADCY-JTQLQIEISA-N 2 0 296.337 -0.062 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000573442448 354912988 /nfs/dbraw/zinc/91/29/88/354912988.db2.gz LSTKUNBAFAGTCB-CQSZACIVSA-N 2 0 298.431 -0.539 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000573476614 354914026 /nfs/dbraw/zinc/91/40/26/354914026.db2.gz XGRPIJMETAAZSZ-QNWHQSFQSA-N 2 0 267.373 -0.179 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000573583570 354916095 /nfs/dbraw/zinc/91/60/95/354916095.db2.gz GXHLYDJZQNENQL-ZDUSSCGKSA-N 2 0 283.420 -0.373 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000573596203 354916278 /nfs/dbraw/zinc/91/62/78/354916278.db2.gz KAMMLEHOUAVCDZ-QWHCGFSZSA-N 2 0 271.405 -0.248 20 0 CBADRP COC(=O)CC1([NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000571885949 354882331 /nfs/dbraw/zinc/88/23/31/354882331.db2.gz BUNLHQGZMVTHQE-NSHDSACASA-N 2 0 283.372 -0.131 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)[C@@H]2C1 ZINC000423569800 283062352 /nfs/dbraw/zinc/06/23/52/283062352.db2.gz TVDPMYKGDJORLF-FRRDWIJNSA-N 2 0 294.399 -0.511 20 0 CBADRP O=C(NCC[C@H]1CCC[NH2+]1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000574915644 354931314 /nfs/dbraw/zinc/93/13/14/354931314.db2.gz OASOYPSAIRJEJC-VXGBXAGGSA-N 2 0 292.387 -0.098 20 0 CBADRP C[NH2+]CCCC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000575044195 354933055 /nfs/dbraw/zinc/93/30/55/354933055.db2.gz MMOHBPDCKUFVEJ-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000578231463 354942193 /nfs/dbraw/zinc/94/21/93/354942193.db2.gz ZMQABHRDYBLZCH-OLZOCXBDSA-N 2 0 294.399 -0.639 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)[C@H]1C ZINC000578490141 354946715 /nfs/dbraw/zinc/94/67/15/354946715.db2.gz NVPDUGFIBJAVPV-SDDRHHMPSA-N 2 0 269.393 -0.718 20 0 CBADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000578490294 354946971 /nfs/dbraw/zinc/94/69/71/354946971.db2.gz VUPGYSQSXPNJQG-WYUUTHIRSA-N 2 0 252.362 -0.060 20 0 CBADRP C[C@H](C(=O)NCCN1CC[NH+](C)CC1)[NH+]1CC(C)C1 ZINC000578451261 354947004 /nfs/dbraw/zinc/94/70/04/354947004.db2.gz ZVPUTZINPSMGCF-CYBMUJFWSA-N 2 0 268.405 -0.310 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCC[C@H]1CCC[NH2+]1 ZINC000578625700 354949826 /nfs/dbraw/zinc/94/98/26/354949826.db2.gz GPLFZELVDFTWAP-OLZOCXBDSA-N 2 0 296.415 -0.107 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC[NH2+]1 ZINC000578649830 354951367 /nfs/dbraw/zinc/95/13/67/354951367.db2.gz NSTSDCPAAJZBCF-IJLUTSLNSA-N 2 0 292.387 -0.100 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000578866160 354956618 /nfs/dbraw/zinc/95/66/18/354956618.db2.gz JWEPOXCCNKLMAO-YUMQZZPRSA-N 2 0 279.287 -0.620 20 0 CBADRP C[NH2+][C@H](C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)c1cnn(C)c1 ZINC000578890077 354956982 /nfs/dbraw/zinc/95/69/82/354956982.db2.gz DUUGGZUUAZKNBA-NHCYSSNCSA-N 2 0 265.361 -0.124 20 0 CBADRP CO[C@H](C[NH3+])CC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000578887217 354957361 /nfs/dbraw/zinc/95/73/61/354957361.db2.gz OHRCSVNTSLCVPR-OLZOCXBDSA-N 2 0 287.404 -0.441 20 0 CBADRP C[C@@]1(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000579005814 354959984 /nfs/dbraw/zinc/95/99/84/354959984.db2.gz RDFYOUYLJHXKRI-SMDDNHRTSA-N 2 0 282.388 -0.640 20 0 CBADRP C[NH2+]CC1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000573681827 354918662 /nfs/dbraw/zinc/91/86/62/354918662.db2.gz YUSPTGFRWCYNKW-CYBMUJFWSA-N 2 0 296.415 -0.297 20 0 CBADRP C[NH2+][C@@H]1CCCN(CCC(=O)N2CC[NH2+]CC2)C1 ZINC000579122397 354963238 /nfs/dbraw/zinc/96/32/38/354963238.db2.gz CFMSCOJKKJPYLK-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000579377043 354969479 /nfs/dbraw/zinc/96/94/79/354969479.db2.gz OLQPBWAYGQXOHT-ZDUSSCGKSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH2+][C@H]1CCN(C(=O)[C@@H](C)N2CCN(C)CC2)C1 ZINC000579474793 354971445 /nfs/dbraw/zinc/97/14/45/354971445.db2.gz OCUFXJGLPCQNLE-NEPJUHHUSA-N 2 0 254.378 -0.557 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000579490673 354972461 /nfs/dbraw/zinc/97/24/61/354972461.db2.gz DDVGENQYJVGRTO-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP COCC1(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]CC1 ZINC000579716183 354978022 /nfs/dbraw/zinc/97/80/22/354978022.db2.gz NDDIDOXUGPISDI-PHIMTYICSA-N 2 0 255.362 -0.144 20 0 CBADRP [NH3+][C@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C1CC1 ZINC000579835055 354980723 /nfs/dbraw/zinc/98/07/23/354980723.db2.gz BHBNHGKSPZJKAK-WDEREUQCSA-N 2 0 278.360 -0.503 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](CCO)[C@H](C)C1 ZINC000579854651 354981601 /nfs/dbraw/zinc/98/16/01/354981601.db2.gz HPUGAPUUDKFKCR-CHWSQXEVSA-N 2 0 259.394 -0.703 20 0 CBADRP O=C(COC1C[NH2+]C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580076445 354988024 /nfs/dbraw/zinc/98/80/24/354988024.db2.gz OVDUQBUDWVALPV-ZDUSSCGKSA-N 2 0 253.346 -0.423 20 0 CBADRP C[C@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N1CCN(C)CC1 ZINC000581012800 355003646 /nfs/dbraw/zinc/00/36/46/355003646.db2.gz VPXNITHJOXJSBT-UKRRQHHQSA-N 2 0 280.416 -0.166 20 0 CBADRP C[NH+](C)CCCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000580323996 354993655 /nfs/dbraw/zinc/99/36/55/354993655.db2.gz SQRSPXCSJBYZEP-LLVKDONJSA-N 2 0 280.376 -0.288 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000580323833 354993725 /nfs/dbraw/zinc/99/37/25/354993725.db2.gz LRAIGPGNUUYBOW-QJPTWQEYSA-N 2 0 271.409 -0.343 20 0 CBADRP O=C(NCC1CC[NH2+]CC1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000580709369 354995415 /nfs/dbraw/zinc/99/54/15/354995415.db2.gz VSJCPWZSMJRDFV-GFCCVEGCSA-N 2 0 292.387 -0.068 20 0 CBADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000580413271 354995546 /nfs/dbraw/zinc/99/55/46/354995546.db2.gz AYWHJTRLRNQLEA-NWDGAFQWSA-N 2 0 270.377 -0.290 20 0 CBADRP C[NH+]1CCC(CCNC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000580882668 355000958 /nfs/dbraw/zinc/00/09/58/355000958.db2.gz STNGCRHEIYQHAK-UHFFFAOYSA-N 2 0 297.447 -0.077 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000580950191 355001823 /nfs/dbraw/zinc/00/18/23/355001823.db2.gz HPVLFJPSNWQMOF-UPJWGTAASA-N 2 0 294.399 -0.687 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000580942129 355001888 /nfs/dbraw/zinc/00/18/88/355001888.db2.gz LFNAFGHGZAABIT-ONGXEEELSA-N 2 0 268.361 -0.937 20 0 CBADRP COC1(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC[NH2+]CC1 ZINC000584351809 355030150 /nfs/dbraw/zinc/03/01/50/355030150.db2.gz MMMBNIKUKUWXQP-QWRGUYRKSA-N 2 0 255.362 -0.049 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000584466797 355030262 /nfs/dbraw/zinc/03/02/62/355030262.db2.gz LYSRTRHHYHKRMY-NSHDSACASA-N 2 0 280.376 -0.159 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000584530792 355031310 /nfs/dbraw/zinc/03/13/10/355031310.db2.gz IGLJPTOEZDKMIF-HBNTYKKESA-N 2 0 269.345 -0.523 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000584541289 355031669 /nfs/dbraw/zinc/03/16/69/355031669.db2.gz BSGDRHJQBSANGL-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP COC(=O)c1cn(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)nn1 ZINC000584789745 355038057 /nfs/dbraw/zinc/03/80/57/355038057.db2.gz ARWZKCQEHLCVSZ-NXEZZACHSA-N 2 0 267.333 -0.076 20 0 CBADRP CN1CCN(C(=O)CC[N@@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000584839478 355039930 /nfs/dbraw/zinc/03/99/30/355039930.db2.gz AESBBMSADUYKQZ-ZDUSSCGKSA-N 2 0 268.405 -0.179 20 0 CBADRP [NH3+]CCN(CCO)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000584840299 355040138 /nfs/dbraw/zinc/04/01/38/355040138.db2.gz VNRCKBCDJDNIPX-KBPBESRZSA-N 2 0 267.373 -0.830 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000584871586 355040874 /nfs/dbraw/zinc/04/08/74/355040874.db2.gz HZLLJKPJOVOBFT-RISCZKNCSA-N 2 0 282.388 -0.411 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000584871585 355041002 /nfs/dbraw/zinc/04/10/02/355041002.db2.gz HZLLJKPJOVOBFT-FZMZJTMJSA-N 2 0 282.388 -0.411 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000581365270 355005352 /nfs/dbraw/zinc/00/53/52/355005352.db2.gz KVXYUJROFVDNBB-HZPDHXFCSA-N 3 0 298.475 -0.084 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000581489721 355005596 /nfs/dbraw/zinc/00/55/96/355005596.db2.gz FWRAJXBSKJPLAP-IJLUTSLNSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000582062768 355006237 /nfs/dbraw/zinc/00/62/37/355006237.db2.gz AINZPYZNBHPWGY-CYDGBPFRSA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@@H]1CN(C[C@H]2CCCN(C(=O)C[NH3+])C2)[C@H](C)C[NH2+]1 ZINC000582062569 355006607 /nfs/dbraw/zinc/00/66/07/355006607.db2.gz OWSSRWMQDUEHGG-UPJWGTAASA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@]1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC000582120547 355008440 /nfs/dbraw/zinc/00/84/40/355008440.db2.gz AVNQPPNCTXDEAP-OCCSQVGLSA-N 2 0 266.389 -0.508 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000582171582 355009429 /nfs/dbraw/zinc/00/94/29/355009429.db2.gz UHXYSBCUZPCTPV-CYBMUJFWSA-N 2 0 283.420 -0.374 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000582419671 355016133 /nfs/dbraw/zinc/01/61/33/355016133.db2.gz ZMDRAPQZFOXZEA-JQWIXIFHSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000582410566 355016347 /nfs/dbraw/zinc/01/63/47/355016347.db2.gz ZBTGSDNSVBYFQR-MDZLAQPJSA-N 2 0 294.399 -0.547 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)CCOC2C[NH2+]C2)C1 ZINC000582600925 355016636 /nfs/dbraw/zinc/01/66/36/355016636.db2.gz JGZTZCAOSHZUEH-GHMZBOCLSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@H]1CN(C(=O)COC2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000583497823 355018209 /nfs/dbraw/zinc/01/82/09/355018209.db2.gz JVBBVFDYBOENQS-QWRGUYRKSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000583500316 355018244 /nfs/dbraw/zinc/01/82/44/355018244.db2.gz SZTNPFRYJUWVBV-GARJFASQSA-N 2 0 282.388 -0.419 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000583691908 355022576 /nfs/dbraw/zinc/02/25/76/355022576.db2.gz UMZUITVMJOJRFW-KXUCPTDWSA-N 2 0 255.318 -0.913 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000583872462 355024083 /nfs/dbraw/zinc/02/40/83/355024083.db2.gz JXYRMNPUQUCUQU-CHWSQXEVSA-N 2 0 268.405 -0.180 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C1 ZINC000583929364 355024390 /nfs/dbraw/zinc/02/43/90/355024390.db2.gz DSSKFKKCHORGDG-WHOHXGKFSA-N 2 0 255.362 -0.193 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000583984222 355026305 /nfs/dbraw/zinc/02/63/05/355026305.db2.gz IIJOOEAHNNTOSK-ZDUSSCGKSA-N 2 0 274.409 -0.014 20 0 CBADRP CC(C)[NH2+]CCCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000583984221 355026515 /nfs/dbraw/zinc/02/65/15/355026515.db2.gz IIJOOEAHNNTOSK-CYBMUJFWSA-N 2 0 274.409 -0.014 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000583997107 355027115 /nfs/dbraw/zinc/02/71/15/355027115.db2.gz UDLBHSADFDSIOE-VXGBXAGGSA-N 2 0 256.394 -0.134 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000584047925 355028179 /nfs/dbraw/zinc/02/81/79/355028179.db2.gz OLSUOEGLTFPHJS-QJPTWQEYSA-N 2 0 255.362 -0.131 20 0 CBADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)CN1CCNCC1=O ZINC000584051291 355028521 /nfs/dbraw/zinc/02/85/21/355028521.db2.gz QMKGHHDURAUEEC-LBPRGKRZSA-N 2 0 282.388 -0.639 20 0 CBADRP C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000584051992 355028595 /nfs/dbraw/zinc/02/85/95/355028595.db2.gz DYOXVOKPPVAQCS-ZYHUDNBSSA-N 2 0 294.355 -0.501 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000592547624 355160990 /nfs/dbraw/zinc/16/09/90/355160990.db2.gz IGSSYSKPXAZZCM-WDEREUQCSA-N 2 0 269.345 -0.508 20 0 CBADRP C[NH2+]CCCC(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000592546732 355161128 /nfs/dbraw/zinc/16/11/28/355161128.db2.gz CINBEPOHJAONJO-SNVBAGLBSA-N 2 0 257.334 -0.651 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000592551533 355162023 /nfs/dbraw/zinc/16/20/23/355162023.db2.gz FSHRDOUABRHYHU-MNOVXSKESA-N 2 0 269.345 -0.651 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CC1(C[NH3+])CC1 ZINC000592554018 355162520 /nfs/dbraw/zinc/16/25/20/355162520.db2.gz ZUBXGPDALUXGTF-SNVBAGLBSA-N 2 0 269.345 -0.521 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000592557500 355163695 /nfs/dbraw/zinc/16/36/95/355163695.db2.gz YUQXIFUYYSFEBB-MXWKQRLJSA-N 2 0 269.345 -0.652 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000592047606 355128393 /nfs/dbraw/zinc/12/83/93/355128393.db2.gz ODTWNKSGMIAKMU-UWVGGRQHSA-N 2 0 257.334 -0.523 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1OC ZINC000592287080 355146478 /nfs/dbraw/zinc/14/64/78/355146478.db2.gz NVRWLYRGNGRBMG-QWRGUYRKSA-N 2 0 295.339 -0.298 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000592418988 355153181 /nfs/dbraw/zinc/15/31/81/355153181.db2.gz ATCXAUSJAWMKNQ-IHRRRGAJSA-N 2 0 281.400 -0.004 20 0 CBADRP CSCC[C@H]([NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000592469267 355155699 /nfs/dbraw/zinc/15/56/99/355155699.db2.gz ZKLDQAVNAFELBW-NSHDSACASA-N 2 0 274.434 -0.570 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000592959339 355187682 /nfs/dbraw/zinc/18/76/82/355187682.db2.gz SCLAPRLIVDKTGS-KOLCDFICSA-N 2 0 271.361 -0.277 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)NCCC[N@H+](C)CC(C)C ZINC000593912973 355229812 /nfs/dbraw/zinc/22/98/12/355229812.db2.gz VETOKHRVCIKUNU-NSHDSACASA-N 2 0 273.377 -0.029 20 0 CBADRP NC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000593728678 355217713 /nfs/dbraw/zinc/21/77/13/355217713.db2.gz CHUGURCVTJGPRM-GMTAPVOTSA-N 2 0 284.360 -0.458 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594877939 355266782 /nfs/dbraw/zinc/26/67/82/355266782.db2.gz FMMXIXFFOGTEPZ-USZNOCQGSA-N 2 0 280.372 -0.855 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)CC[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000594879714 355268142 /nfs/dbraw/zinc/26/81/42/355268142.db2.gz KZPCEBNSQMQTJC-GRYCIOLGSA-N 2 0 280.372 -0.711 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419429046 295901715 /nfs/dbraw/zinc/90/17/15/295901715.db2.gz UKVUQCZSIVXCKA-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP COC(=O)CCN1CCC[C@@H]([N@@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000595892807 355314806 /nfs/dbraw/zinc/31/48/06/355314806.db2.gz NYXAMXNCFOEBTD-VXGBXAGGSA-N 2 0 283.372 -0.179 20 0 CBADRP COC(=O)CCN1CC[C@@H]([NH+]2CCC(C[NH3+])CC2)C1=O ZINC000595891585 355314870 /nfs/dbraw/zinc/31/48/70/355314870.db2.gz ICIOVEKZGYXYKR-GFCCVEGCSA-N 2 0 283.372 -0.179 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[C@H](C)[NH+](C)C ZINC000595939179 355321328 /nfs/dbraw/zinc/32/13/28/355321328.db2.gz GJRYLFTZLYNESY-VHSXEESVSA-N 2 0 259.350 -0.277 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]([NH3+])COC(C)C ZINC000595949969 355325849 /nfs/dbraw/zinc/32/58/49/355325849.db2.gz HXCRPUXGXOXCCS-QWRGUYRKSA-N 2 0 287.360 -0.898 20 0 CBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000595949963 355325954 /nfs/dbraw/zinc/32/59/54/355325954.db2.gz HTPNILDATKWICI-GUBZILKMSA-N 2 0 255.318 -0.913 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000595964947 355330591 /nfs/dbraw/zinc/33/05/91/355330591.db2.gz OJFPOVSUTHVIKC-SECBINFHSA-N 2 0 257.334 -0.345 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595266061 355276132 /nfs/dbraw/zinc/27/61/32/355276132.db2.gz YDAHJMNPYMGRFV-YFKTTZPYSA-N 2 0 295.387 -0.920 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000595262841 355276177 /nfs/dbraw/zinc/27/61/77/355276177.db2.gz FOUQOPXRQCVEHA-SDDRHHMPSA-N 2 0 295.387 -0.966 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CCN2C1=O ZINC000595266080 355276505 /nfs/dbraw/zinc/27/65/05/355276505.db2.gz YYLLRKWOBMPCSW-WRWGMCAJSA-N 2 0 295.387 -0.790 20 0 CBADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCNC2=O)CC[NH2+]CC1 ZINC000596646254 355361475 /nfs/dbraw/zinc/36/14/75/355361475.db2.gz TZOCLHFMXLFZIZ-MNOVXSKESA-N 2 0 283.372 -0.214 20 0 CBADRP CS[C@@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@H]1[NH+]1CCCC1 ZINC000599067152 355461595 /nfs/dbraw/zinc/46/15/95/355461595.db2.gz BZHNHUHCEMERLW-RKDXNWHRSA-N 2 0 295.416 -0.287 20 0 CBADRP CS[C@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@H]1[NH+]1CCCC1 ZINC000599067149 355461661 /nfs/dbraw/zinc/46/16/61/355461661.db2.gz BZHNHUHCEMERLW-BDAKNGLRSA-N 2 0 295.416 -0.287 20 0 CBADRP COC(=O)CCNC(=O)CC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000600710011 355561877 /nfs/dbraw/zinc/56/18/77/355561877.db2.gz MQESUIKTYRJJTE-VHSXEESVSA-N 2 0 257.334 -0.475 20 0 CBADRP COC(=O)CCNC(=O)CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000600708869 355561954 /nfs/dbraw/zinc/56/19/54/355561954.db2.gz HUCRLVLQZIDNFJ-WDEREUQCSA-N 2 0 271.361 -0.227 20 0 CBADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2COCCN2)CC[NH2+]CC1 ZINC000600708424 355562172 /nfs/dbraw/zinc/56/21/72/355562172.db2.gz CTTSBEVWVOVCDL-CHWSQXEVSA-N 2 0 299.415 -0.114 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000599933167 355519078 /nfs/dbraw/zinc/51/90/78/355519078.db2.gz CZRWUXZNPQQTRZ-WISYIIOYSA-N 2 0 295.387 -0.920 20 0 CBADRP COC(=O)CCNC(=O)CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000600708865 355562360 /nfs/dbraw/zinc/56/23/60/355562360.db2.gz HUCRLVLQZIDNFJ-GHMZBOCLSA-N 2 0 271.361 -0.227 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC1CC[NH+](C)CC1 ZINC000601317591 355584439 /nfs/dbraw/zinc/58/44/39/355584439.db2.gz ZTRGGDJYLCJFOZ-AWEZNQCLSA-N 2 0 297.447 -0.127 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000331428432 291068960 /nfs/dbraw/zinc/06/89/60/291068960.db2.gz VNKLEOXSVJOLCF-QJPTWQEYSA-N 2 0 294.399 -0.323 20 0 CBADRP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CCOCC[NH3+] ZINC000600735363 355563623 /nfs/dbraw/zinc/56/36/23/355563623.db2.gz MHMZCYPBVFCCPY-VIFPVBQESA-N 2 0 272.349 -0.730 20 0 CBADRP CC[C@H](C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[NH+](C)C ZINC000600761399 355565738 /nfs/dbraw/zinc/56/57/38/355565738.db2.gz PKYQCULZLHZJPA-OUAUKWLOSA-N 2 0 268.361 -0.903 20 0 CBADRP C[NH+](C)C(C)(C)CNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602467146 355652136 /nfs/dbraw/zinc/65/21/36/355652136.db2.gz KWICGOPTMDGGDY-LJQANCHMSA-N 2 0 289.445 -0.057 20 0 CBADRP CC[C@@H](C(=O)N1CCC[NH2+]C[C@H]1C(=O)OC)[NH+](C)C ZINC000602491401 355654073 /nfs/dbraw/zinc/65/40/73/355654073.db2.gz HUEHGLOAURVGRT-QWRGUYRKSA-N 2 0 271.361 -0.310 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000602523699 355657727 /nfs/dbraw/zinc/65/77/27/355657727.db2.gz HMJKDVSWWDUIJT-TUAOUCFPSA-N 2 0 280.372 -0.759 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000602528987 355658382 /nfs/dbraw/zinc/65/83/82/355658382.db2.gz DJVUCSGHZNRJRX-NXEZZACHSA-N 2 0 269.345 -0.332 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000602551407 355661178 /nfs/dbraw/zinc/66/11/78/355661178.db2.gz CXNVLFAELANBAS-BBBLOLIVSA-N 2 0 257.334 -0.476 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000602581987 355662216 /nfs/dbraw/zinc/66/22/16/355662216.db2.gz VBPWITAFZBICGW-ZJUUUORDSA-N 2 0 257.334 -0.393 20 0 CBADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)c21 ZINC000602586975 355663087 /nfs/dbraw/zinc/66/30/87/355663087.db2.gz CFEMUOWEDZKYAV-VWYCJHECSA-N 2 0 275.356 -0.095 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601974009 355623724 /nfs/dbraw/zinc/62/37/24/355623724.db2.gz KOVZWWCZLPNZFN-NRUUGDAUSA-N 2 0 269.345 -0.475 20 0 CBADRP CC(C)[C@H](C[NH3+])CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000602021601 355625607 /nfs/dbraw/zinc/62/56/07/355625607.db2.gz QBRBGDXOUZPRLV-GRYCIOLGSA-N 2 0 254.378 -0.539 20 0 CBADRP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000602023650 355625635 /nfs/dbraw/zinc/62/56/35/355625635.db2.gz ZFDLNVNVRJWFFE-NAKRPEOUSA-N 2 0 271.361 -0.230 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1CC12CC(C1)C[NH2+]2 ZINC000602022234 355625753 /nfs/dbraw/zinc/62/57/53/355625753.db2.gz RZFCBZYDTBLPIM-QWKFWESOSA-N 2 0 253.346 -0.425 20 0 CBADRP CC(CN1C[C@@H]2C[NH2+]C[C@H]2C1)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000605575570 355735385 /nfs/dbraw/zinc/73/53/85/355735385.db2.gz HNROONTYVKQOMT-VGWMRTNUSA-N 3 0 278.444 -0.075 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000612544389 355839474 /nfs/dbraw/zinc/83/94/74/355839474.db2.gz BXROSQDPTXBMDJ-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC000612546183 355840321 /nfs/dbraw/zinc/84/03/21/355840321.db2.gz PSIWGSYJWQDVNR-GFCCVEGCSA-N 2 0 284.404 -0.393 20 0 CBADRP C[NH+](C)C1(C(=O)NC[C@@H]2CN3CCN2CC3)CC1 ZINC000612747662 355849630 /nfs/dbraw/zinc/84/96/30/355849630.db2.gz NSLTWISMJMNENK-LLVKDONJSA-N 2 0 252.362 -0.803 20 0 CBADRP C[C@@]1(NC(=O)NCCCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000612912468 355856416 /nfs/dbraw/zinc/85/64/16/355856416.db2.gz VZQPZAICMVQYKA-CYBMUJFWSA-N 2 0 269.393 -0.667 20 0 CBADRP C[C@]1(NC(=O)NC[C@H]2C[NH2+]CCCO2)CC[NH2+]C1 ZINC000612923714 355857085 /nfs/dbraw/zinc/85/70/85/355857085.db2.gz JZNJEDONIQUYTQ-PWSUYJOCSA-N 2 0 256.350 -0.584 20 0 CBADRP COC[C@]1(CNC(=O)N[C@]2(C)CC[NH2+]C2)CCC[NH2+]1 ZINC000612926940 355857301 /nfs/dbraw/zinc/85/73/01/355857301.db2.gz NVSSHWLSWRZMCE-CHWSQXEVSA-N 2 0 270.377 -0.194 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612972013 355858701 /nfs/dbraw/zinc/85/87/01/355858701.db2.gz RFRAAMXDXJUWQI-OLZOCXBDSA-N 2 0 295.431 -0.327 20 0 CBADRP CN1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)[C@H](C[NH3+])C1 ZINC000612994392 355860634 /nfs/dbraw/zinc/86/06/34/355860634.db2.gz SNHVVSIWCCPPOW-NEPJUHHUSA-N 2 0 281.404 -0.587 20 0 CBADRP C[C@@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)[NH+](C)C ZINC000614066829 355932708 /nfs/dbraw/zinc/93/27/08/355932708.db2.gz KLSFODSAFAQHFA-WCQYABFASA-N 2 0 257.378 -0.148 20 0 CBADRP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000614065616 355932942 /nfs/dbraw/zinc/93/29/42/355932942.db2.gz QTVDELQSKGJEGS-TZMCWYRMSA-N 2 0 269.389 -0.147 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000614068453 355933687 /nfs/dbraw/zinc/93/36/87/355933687.db2.gz NJTBZRNDUHZPSQ-JSGCOSHPSA-N 2 0 269.389 -0.004 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCCN(C(=O)C2([NH+](C)C)CC2)C1 ZINC000614070489 355934087 /nfs/dbraw/zinc/93/40/87/355934087.db2.gz LZLPIKQSFFDQCE-ZDUSSCGKSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H](CO)C[NH+](C)C ZINC000614847673 355988822 /nfs/dbraw/zinc/98/88/22/355988822.db2.gz NEGJIBLJBKEUPU-TUAOUCFPSA-N 2 0 257.378 -0.102 20 0 CBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H](CO)C[NH+](C)C)n1 ZINC000614858071 355994604 /nfs/dbraw/zinc/99/46/04/355994604.db2.gz LPNVFQXORNFMLL-NSHDSACASA-N 2 0 283.376 -0.903 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000614505409 355963681 /nfs/dbraw/zinc/96/36/81/355963681.db2.gz NNGXZUPNCPARJG-STQMWFEESA-N 2 0 266.389 -0.556 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000614502677 355964229 /nfs/dbraw/zinc/96/42/29/355964229.db2.gz LMGDMRUCEFRKSF-KBPBESRZSA-N 2 0 280.416 -0.023 20 0 CBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000614505811 355965559 /nfs/dbraw/zinc/96/55/59/355965559.db2.gz BADSEKBYWSAUHC-ZDUSSCGKSA-N 2 0 268.405 -0.166 20 0 CBADRP C[C@@H](C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)[NH+](C)C ZINC000614508963 355967104 /nfs/dbraw/zinc/96/71/04/355967104.db2.gz YREUBKXSTHASOX-RYUDHWBXSA-N 2 0 254.378 -0.557 20 0 CBADRP CN(Cc1c[nH]cn1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000616927028 356115980 /nfs/dbraw/zinc/11/59/80/356115980.db2.gz YQENSEKQKMZGME-LBPRGKRZSA-N 2 0 263.345 -0.242 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000617764200 356155590 /nfs/dbraw/zinc/15/55/90/356155590.db2.gz MKRJNBNPLIUVIZ-CYBMUJFWSA-N 2 0 270.421 -0.062 20 0 CBADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C[NH+](C)C ZINC000617505049 356138954 /nfs/dbraw/zinc/13/89/54/356138954.db2.gz VBJFFLWRWKFWAZ-LBPRGKRZSA-N 2 0 258.410 -0.064 20 0 CBADRP CCN(C(=O)[C@H]1C[NH+]2CCN1CCC2)[C@@H]1CC[N@H+](C)C1 ZINC000617553682 356142141 /nfs/dbraw/zinc/14/21/41/356142141.db2.gz NXZJSFVEYOIWHC-ZIAGYGMSSA-N 2 0 280.416 -0.071 20 0 CBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)[C@H]2C1 ZINC000332291531 283144417 /nfs/dbraw/zinc/14/44/17/283144417.db2.gz TVDPMYKGDJORLF-XQQFMLRXSA-N 2 0 294.399 -0.511 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621698688 356281119 /nfs/dbraw/zinc/28/11/19/356281119.db2.gz CTUQWKXASNDDIG-SCDSUCTJSA-N 2 0 282.388 -0.574 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621621277 356278421 /nfs/dbraw/zinc/27/84/21/356278421.db2.gz XTDKBHWGZZFCEL-CYBMUJFWSA-N 2 0 296.415 -0.344 20 0 CBADRP O=C(CC[C@H]1CCC[NH2+]C1)NC[C@@H]1C[NH2+]CCO1 ZINC000621665116 356279735 /nfs/dbraw/zinc/27/97/35/356279735.db2.gz QVQRBGAZXBMAIW-NEPJUHHUSA-N 2 0 255.362 -0.129 20 0 CBADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C2 ZINC000621684857 356280508 /nfs/dbraw/zinc/28/05/08/356280508.db2.gz UNTWASZKMQFHNM-MJVIPROJSA-N 2 0 280.372 -0.806 20 0 CBADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C2 ZINC000621684031 356280676 /nfs/dbraw/zinc/28/06/76/356280676.db2.gz GRRREVNKWJVLCJ-ZOWXZIJZSA-N 2 0 294.399 -0.416 20 0 CBADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C[C@H]1C[NH2+]CCO1)C2 ZINC000621684367 356280709 /nfs/dbraw/zinc/28/07/09/356280709.db2.gz LIMUDQPKBSKUIO-GVXVVHGQSA-N 2 0 253.346 -0.295 20 0 CBADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)CCOC1C[NH2+]C1)C2 ZINC000621684509 356280738 /nfs/dbraw/zinc/28/07/38/356280738.db2.gz NKECBLQOSZFCIW-GWCFXTLKSA-N 2 0 253.346 -0.295 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)C1CC1 ZINC000621839031 356289234 /nfs/dbraw/zinc/28/92/34/356289234.db2.gz MWLGLXLBHQYBGL-NHYWBVRUSA-N 2 0 294.399 -0.463 20 0 CBADRP CC(C)C[C@@H](CNc1nc(N)[nH+]c(N)n1)[NH+](C)C ZINC000623833474 356378615 /nfs/dbraw/zinc/37/86/15/356378615.db2.gz HPPWDZBYZPVCBC-QMMMGPOBSA-N 2 0 253.354 -0.493 20 0 CBADRP CC(C)C[NH+]1CCC(Nc2nc(N)[nH+]c(N)n2)CC1 ZINC000623831614 356378663 /nfs/dbraw/zinc/37/86/63/356378663.db2.gz PFQXSRYZEKOKRW-UHFFFAOYSA-N 2 0 265.365 -0.349 20 0 CBADRP C[NH+](C)[C@@H](CNc1nc(N)[nH+]c(N)n1)c1ccsc1 ZINC000623844851 356379501 /nfs/dbraw/zinc/37/95/01/356379501.db2.gz HHTKPPNJAXCUGY-QMMMGPOBSA-N 2 0 279.373 -0.105 20 0 CBADRP CC[C@H](CNc1nc(N)[nH+]c(N)n1)[NH+]1CCCC1 ZINC000623854869 356379572 /nfs/dbraw/zinc/37/95/72/356379572.db2.gz KVEUMRFCTBDARA-MRVPVSSYSA-N 2 0 251.338 -0.595 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNc2nc(N)[nH+]c(N)n2)C1 ZINC000623861453 356379595 /nfs/dbraw/zinc/37/95/95/356379595.db2.gz YNOSHXIUDVFJLD-MRVPVSSYSA-N 2 0 251.338 -0.738 20 0 CBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1nc(N)[nH+]c(N)n1 ZINC000623887406 356380953 /nfs/dbraw/zinc/38/09/53/356380953.db2.gz AYPVJHOPUIWLIR-KXUCPTDWSA-N 2 0 279.392 -0.103 20 0 CBADRP CC(C)[N@@H+]1CC[C@@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000623901825 356380995 /nfs/dbraw/zinc/38/09/95/356380995.db2.gz SUKOZQPIYULYQT-QMMMGPOBSA-N 2 0 251.338 -0.739 20 0 CBADRP CCC[N@@H+]1CC[C@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000623885095 356381507 /nfs/dbraw/zinc/38/15/07/356381507.db2.gz QCVXDDJHKYEPKR-MRVPVSSYSA-N 2 0 251.338 -0.738 20 0 CBADRP CC[C@@H]1CCCC[N@@H+]1CCNc1nc(N)[nH+]c(N)n1 ZINC000623970244 356385744 /nfs/dbraw/zinc/38/57/44/356385744.db2.gz JETWXOWJIANXHO-SECBINFHSA-N 2 0 265.365 -0.205 20 0 CBADRP CC[NH+]1CCC(CCNc2nc(N)[nH+]c(N)n2)CC1 ZINC000623997591 356388216 /nfs/dbraw/zinc/38/82/16/356388216.db2.gz RNKGXGSXZFYYEA-UHFFFAOYSA-N 2 0 265.365 -0.347 20 0 CBADRP C[C@@H]1C[N@@H+](CCCCNc2nc(N)[nH+]c(N)n2)C[C@H](C)O1 ZINC000624027359 356390267 /nfs/dbraw/zinc/39/02/67/356390267.db2.gz QSVPDMSLKVJNQC-AOOOYVTPSA-N 2 0 295.391 -0.580 20 0 CBADRP C[NH+]1CCC([C@@H]2CCN(c3nc(N)[nH+]c(N)n3)C2)CC1 ZINC000624065106 356395792 /nfs/dbraw/zinc/39/57/92/356395792.db2.gz XEQQLIUZFIWQJZ-SNVBAGLBSA-N 2 0 277.376 -0.135 20 0 CBADRP Nc1nc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)nc(N)[nH+]1 ZINC000624375461 356415097 /nfs/dbraw/zinc/41/50/97/356415097.db2.gz QQNKDVMLDVIJKJ-BDAKNGLRSA-N 2 0 263.349 -0.453 20 0 CBADRP Cn1cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cn1 ZINC000624369994 356415361 /nfs/dbraw/zinc/41/53/61/356415361.db2.gz YPKNESRNOBWGMH-UHFFFAOYSA-N 2 0 275.378 -0.892 20 0 CBADRP Nc1nc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)nc(N)[nH+]1 ZINC000624399484 356418055 /nfs/dbraw/zinc/41/80/55/356418055.db2.gz NPTPPJGHRCOIKL-SECBINFHSA-N 2 0 277.376 -0.062 20 0 CBADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624220957 356404545 /nfs/dbraw/zinc/40/45/45/356404545.db2.gz KMBRMNGOABMDDI-BDAKNGLRSA-N 2 0 263.349 -0.240 20 0 CBADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624220959 356404914 /nfs/dbraw/zinc/40/49/14/356404914.db2.gz KMBRMNGOABMDDI-IUCAKERBSA-N 2 0 263.349 -0.240 20 0 CBADRP C[NH+]1CCC2(CCN(c3nc(N)[nH+]c(N)n3)C2)CC1 ZINC000624231803 356406339 /nfs/dbraw/zinc/40/63/39/356406339.db2.gz LIUBZKCWWGVNMO-UHFFFAOYSA-N 2 0 263.349 -0.381 20 0 CBADRP C[NH2+]CCOCCNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000625865517 356494856 /nfs/dbraw/zinc/49/48/56/356494856.db2.gz OLEDQPKDVSLRFY-UHFFFAOYSA-N 2 0 298.391 -0.198 20 0 CBADRP CN(CCOCC[NH3+])C(=O)Nc1ccnn1CC[NH+](C)C ZINC000625891097 356496403 /nfs/dbraw/zinc/49/64/03/356496403.db2.gz JXWSGFUAQHMJFG-UHFFFAOYSA-N 2 0 298.391 -0.116 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000626939028 356557770 /nfs/dbraw/zinc/55/77/70/356557770.db2.gz PKQCPKHYOYJBDI-LBPRGKRZSA-N 2 0 288.392 -0.758 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000626945582 356558771 /nfs/dbraw/zinc/55/87/71/356558771.db2.gz KJBIDVNJDRBCLI-LLVKDONJSA-N 2 0 258.366 -0.384 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000626946097 356559200 /nfs/dbraw/zinc/55/92/00/356559200.db2.gz RNQGDJBOBQJXRL-NSHDSACASA-N 2 0 270.377 -0.112 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626954692 356559574 /nfs/dbraw/zinc/55/95/74/356559574.db2.gz JDSZAOZSQDPBKW-WDEREUQCSA-N 2 0 258.366 -0.386 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000626954690 356560152 /nfs/dbraw/zinc/56/01/52/356560152.db2.gz JDSZAOZSQDPBKW-MNOVXSKESA-N 2 0 258.366 -0.386 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626973353 356561569 /nfs/dbraw/zinc/56/15/69/356561569.db2.gz YNVFAXVBMBJTDI-FRRDWIJNSA-N 2 0 283.420 -0.328 20 0 CBADRP CC[NH2+]CCCNC(=O)NC[C@@H]1COCCN1C ZINC000627064723 356571378 /nfs/dbraw/zinc/57/13/78/356571378.db2.gz UJELBXCJAFQFDW-LLVKDONJSA-N 2 0 258.366 -0.384 20 0 CBADRP O=C(NCCC[NH2+]C1CC1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627063150 356571398 /nfs/dbraw/zinc/57/13/98/356571398.db2.gz GHJUJNKSZUISEP-GFCCVEGCSA-N 2 0 270.377 -0.506 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@@H]1CCCC[NH2+]1 ZINC000627065974 356571614 /nfs/dbraw/zinc/57/16/14/356571614.db2.gz MOKUTYQFPILYAB-RYUDHWBXSA-N 2 0 270.377 -0.506 20 0 CBADRP CN(CCOCC[NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000627066715 356572265 /nfs/dbraw/zinc/57/22/65/356572265.db2.gz WVBPADOQWZHYHP-NSHDSACASA-N 2 0 258.366 -0.255 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NCC1CC[NH2+]CC1 ZINC000627069517 356572434 /nfs/dbraw/zinc/57/24/34/356572434.db2.gz VOWDLAXCWSAPAC-UHFFFAOYSA-N 2 0 272.393 -0.137 20 0 CBADRP [NH3+]C1(CNC(=O)NCC[NH2+]C2CC2)CCOCC1 ZINC000627067501 356572708 /nfs/dbraw/zinc/57/27/08/356572708.db2.gz AJROGGDMCVYVLB-UHFFFAOYSA-N 2 0 256.350 -0.455 20 0 CBADRP C[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)C[NH+]1CCN(C)CC1 ZINC000626987150 356563558 /nfs/dbraw/zinc/56/35/58/356563558.db2.gz YXGBUOBZBDQVJT-HZSPNIEDSA-N 2 0 297.447 -0.081 20 0 CBADRP [NH3+]C1(CNC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CCOCC1 ZINC000627147463 356588728 /nfs/dbraw/zinc/58/87/28/356588728.db2.gz ICAYULWCSAYUAC-NWDGAFQWSA-N 2 0 282.388 -0.112 20 0 CBADRP CC(C)(CC[NH3+])NC(=O)NCC1([NH3+])CCOCC1 ZINC000627147481 356588733 /nfs/dbraw/zinc/58/87/33/356588733.db2.gz IXUIWAFXDMBTBF-UHFFFAOYSA-N 2 0 258.366 -0.079 20 0 CBADRP C[C@@H]1CN(C(=O)NCC2([NH3+])CCOCC2)[C@H](C)C[NH2+]1 ZINC000627146878 356588838 /nfs/dbraw/zinc/58/88/38/356588838.db2.gz BUQYNWJMXBBEGT-GHMZBOCLSA-N 2 0 270.377 -0.114 20 0 CBADRP CN(C(=O)NCC1([NH3+])CCOCC1)C1CC([NH3+])C1 ZINC000627146806 356588925 /nfs/dbraw/zinc/58/89/25/356588925.db2.gz AVYRWGRCJKITLP-UHFFFAOYSA-N 2 0 256.350 -0.375 20 0 CBADRP [NH3+]C1(CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CCOCC1 ZINC000627148604 356588971 /nfs/dbraw/zinc/58/89/71/356588971.db2.gz YQAPYEPSBDPXRF-VXGBXAGGSA-N 2 0 282.388 -0.112 20 0 CBADRP C[C@@H]1CN(C(=O)NCC2([NH3+])CCOCC2)C[C@H]1[NH3+] ZINC000627147922 356588981 /nfs/dbraw/zinc/58/89/81/356588981.db2.gz ONDGMQUXWDEAPL-NXEZZACHSA-N 2 0 256.350 -0.517 20 0 CBADRP C[NH2+][C@H]1CCCN(C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627147627 356588995 /nfs/dbraw/zinc/58/89/95/356588995.db2.gz KXPIQLXLHNAOFP-NSHDSACASA-N 2 0 270.377 -0.112 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000627156904 356590276 /nfs/dbraw/zinc/59/02/76/356590276.db2.gz KNAGTRLOFYQVJM-WDEREUQCSA-N 2 0 270.377 -0.066 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CCOCC[NH3+] ZINC000627156893 356590302 /nfs/dbraw/zinc/59/03/02/356590302.db2.gz KGTIGWQBDJVAHT-WDEREUQCSA-N 2 0 258.366 -0.256 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000627158699 356590918 /nfs/dbraw/zinc/59/09/18/356590918.db2.gz BOAVZBYKKZIXFT-HZSPNIEDSA-N 2 0 295.431 -0.184 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000627167142 356591859 /nfs/dbraw/zinc/59/18/59/356591859.db2.gz XTQQMAYZTGMCDL-NWDGAFQWSA-N 2 0 284.404 -0.117 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000627171036 356592416 /nfs/dbraw/zinc/59/24/16/356592416.db2.gz OUMMXICWOHBOOT-YNEHKIRRSA-N 2 0 284.404 -0.009 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000627170730 356592445 /nfs/dbraw/zinc/59/24/45/356592445.db2.gz FWYCYMXZIZMWOF-PHIMTYICSA-N 2 0 256.350 -0.917 20 0 CBADRP C[NH2+]CCOCCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627169418 356592475 /nfs/dbraw/zinc/59/24/75/356592475.db2.gz INNLHDOMKVVWST-MNOVXSKESA-N 2 0 258.366 -0.338 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000627171595 356593207 /nfs/dbraw/zinc/59/32/07/356593207.db2.gz DENWPTZXVWKUGE-NSHDSACASA-N 2 0 258.366 -0.255 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000627172139 356593387 /nfs/dbraw/zinc/59/33/87/356593387.db2.gz TUPZYVPQPYFPJK-NEPJUHHUSA-N 2 0 272.393 -0.009 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@H]1CCC[NH2+]1 ZINC000627073736 356574480 /nfs/dbraw/zinc/57/44/80/356574480.db2.gz KNTUPWUZWYRIFK-GHMZBOCLSA-N 2 0 256.350 -0.896 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627076959 356575516 /nfs/dbraw/zinc/57/55/16/356575516.db2.gz NRASSESHDUUSNH-QWRGUYRKSA-N 2 0 258.366 -0.665 20 0 CBADRP COCC[NH2+]CCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627082135 356577262 /nfs/dbraw/zinc/57/72/62/356577262.db2.gz COFPWILPWDNWKH-GHMZBOCLSA-N 2 0 258.366 -0.338 20 0 CBADRP [NH3+]C1(CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)CCC1 ZINC000627083835 356578280 /nfs/dbraw/zinc/57/82/80/356578280.db2.gz MMIIFFNKMMZAES-JTQLQIEISA-N 2 0 256.350 -0.766 20 0 CBADRP NCC(F)(F)CNC(=O)NCC1([NH3+])CCOCC1 ZINC000627084901 356578756 /nfs/dbraw/zinc/57/87/56/356578756.db2.gz MZHRFRGPMVDGIW-UHFFFAOYSA-N 2 0 266.292 -0.613 20 0 CBADRP [NH3+]CCCOCCNC(=O)NCC1=CC[NH2+]CC1 ZINC000627084923 356579044 /nfs/dbraw/zinc/57/90/44/356579044.db2.gz OFOYTHCAJUGOEM-UHFFFAOYSA-N 2 0 256.350 -0.429 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CCOCC[NH3+] ZINC000627086170 356579066 /nfs/dbraw/zinc/57/90/66/356579066.db2.gz JOZQPARPXKDIEK-WDEREUQCSA-N 2 0 258.366 -0.399 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627086151 356579282 /nfs/dbraw/zinc/57/92/82/356579282.db2.gz IXTMLCSLJPGBHR-IJLUTSLNSA-N 2 0 270.377 -0.650 20 0 CBADRP [NH3+][C@H]1CCC[C@@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000627087416 356579664 /nfs/dbraw/zinc/57/96/64/356579664.db2.gz JMKHLAFQSNDUKZ-QJPTWQEYSA-N 2 0 270.377 -0.378 20 0 CBADRP [NH3+][C@H]1CCC[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000627087418 356579956 /nfs/dbraw/zinc/57/99/56/356579956.db2.gz JMKHLAFQSNDUKZ-SDDRHHMPSA-N 2 0 270.377 -0.378 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000627174463 356594332 /nfs/dbraw/zinc/59/43/32/356594332.db2.gz OQQCZNXWCJAOML-STQMWFEESA-N 2 0 284.404 -0.042 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)N(C)CCOCC[NH3+])CC[NH2+]1 ZINC000627089189 356580755 /nfs/dbraw/zinc/58/07/55/356580755.db2.gz KYRRDDNRMJGNDY-GHMZBOCLSA-N 2 0 258.366 -0.256 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000627088666 356581011 /nfs/dbraw/zinc/58/10/11/356581011.db2.gz RKXWOFHKAWXOLW-RYUDHWBXSA-N 2 0 272.393 -0.138 20 0 CBADRP C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627092429 356581522 /nfs/dbraw/zinc/58/15/22/356581522.db2.gz BXXMANBKMAAHIJ-WDEREUQCSA-N 2 0 258.366 -0.209 20 0 CBADRP [NH3+]C[C@H](NC(=O)NCC[N@@H+]1CC[C@@H](O)C1)C1CCCC1 ZINC000627090786 356581747 /nfs/dbraw/zinc/58/17/47/356581747.db2.gz ZNJSWTNDFLVYEN-OLZOCXBDSA-N 2 0 284.404 -0.130 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)NCC1([NH3+])CCOCC1 ZINC000627090265 356581753 /nfs/dbraw/zinc/58/17/53/356581753.db2.gz QUFQTTPGUAYAJE-SNVBAGLBSA-N 2 0 258.366 -0.209 20 0 CBADRP C[C@H](CCCC[NH3+])NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627093895 356582336 /nfs/dbraw/zinc/58/23/36/356582336.db2.gz VJRJIYCUROFCTR-VXGBXAGGSA-N 2 0 272.393 -0.130 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)NC[C@H]2C[NH2+]CCO2)C[NH2+]1 ZINC000627101326 356582733 /nfs/dbraw/zinc/58/27/33/356582733.db2.gz BKDQJOCULUFISR-OUAUKWLOSA-N 2 0 256.350 -0.586 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2C[NH2+]CCO2)C[NH2+]1 ZINC000627101320 356582827 /nfs/dbraw/zinc/58/28/27/356582827.db2.gz BKDQJOCULUFISR-GMTAPVOTSA-N 2 0 256.350 -0.586 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000627103889 356583572 /nfs/dbraw/zinc/58/35/72/356583572.db2.gz XHMONIPXQNPDIK-GFCCVEGCSA-N 2 0 288.392 -0.758 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000627103649 356583707 /nfs/dbraw/zinc/58/37/07/356583707.db2.gz WBNXCDJAGJNOGC-GARJFASQSA-N 2 0 256.350 -0.586 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000627108411 356584514 /nfs/dbraw/zinc/58/45/14/356584514.db2.gz UENCWWLVQMKKOU-GHMZBOCLSA-N 2 0 260.382 -0.010 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000627107352 356584642 /nfs/dbraw/zinc/58/46/42/356584642.db2.gz XRAAFQPRLAOADS-IGQOVBAYSA-N 2 0 296.415 -0.260 20 0 CBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NC1(C[NH3+])CCOCC1 ZINC000627108501 356584682 /nfs/dbraw/zinc/58/46/82/356584682.db2.gz VAYRTZNSAHRZHO-ZJUUUORDSA-N 2 0 258.366 -0.081 20 0 CBADRP C[NH2+]CCOCCNC(=O)NCC1([NH3+])CCCC1 ZINC000627112117 356584956 /nfs/dbraw/zinc/58/49/56/356584956.db2.gz AKNRVDZPDILHAD-UHFFFAOYSA-N 2 0 258.366 -0.207 20 0 CBADRP [NH3+]C1(CNC(=O)NCC23CC(C2)C[NH2+]3)CCOCC1 ZINC000627117030 356585859 /nfs/dbraw/zinc/58/58/59/356585859.db2.gz SPIYLDMZXRVATP-UHFFFAOYSA-N 2 0 268.361 -0.455 20 0 CBADRP [NH3+]C1(CNC(=O)NC[C@@H]2COCC[NH2+]2)CCCC1 ZINC000627113977 356585926 /nfs/dbraw/zinc/58/59/26/356585926.db2.gz RXBVGXXCCAZVLQ-SNVBAGLBSA-N 2 0 256.350 -0.455 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[NH2+]1 ZINC000627118025 356586811 /nfs/dbraw/zinc/58/68/11/356586811.db2.gz NEOOQWTUMVURQR-RKDXNWHRSA-N 2 0 294.359 -0.419 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000627219210 356607984 /nfs/dbraw/zinc/60/79/84/356607984.db2.gz SNULVQRVDGICIW-RYUDHWBXSA-N 2 0 270.377 -0.255 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000627218716 356608148 /nfs/dbraw/zinc/60/81/48/356608148.db2.gz DWKIGVZCSWUFDM-NEPJUHHUSA-N 2 0 270.377 -0.112 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000627218749 356608333 /nfs/dbraw/zinc/60/83/33/356608333.db2.gz GAXKYNJMUHOILT-BETUJISGSA-N 2 0 284.404 -0.007 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000627218624 356608369 /nfs/dbraw/zinc/60/83/69/356608369.db2.gz AUQUMLIZXQNXFL-CYBMUJFWSA-N 2 0 299.419 -0.959 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000627218863 356608445 /nfs/dbraw/zinc/60/84/45/356608445.db2.gz JSGHCFRTOXUUOE-NSHDSACASA-N 2 0 274.365 -0.889 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627219277 356609030 /nfs/dbraw/zinc/60/90/30/356609030.db2.gz UIARZILUWSRJFD-GHMZBOCLSA-N 2 0 258.366 -0.270 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627246037 356610907 /nfs/dbraw/zinc/61/09/07/356610907.db2.gz IAIPQKHWZZEURN-GARJFASQSA-N 2 0 256.350 -0.897 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)[C@@H](C)C1 ZINC000627243865 356610971 /nfs/dbraw/zinc/61/09/71/356610971.db2.gz XNXAZPOWXWPLRY-ZDEQEGDKSA-N 2 0 284.404 -0.167 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000627245687 356611365 /nfs/dbraw/zinc/61/13/65/356611365.db2.gz RODXCQYSIBGGHS-RWMBFGLXSA-N 2 0 281.404 -0.574 20 0 CBADRP C[N@H+](CCCO)C1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627248825 356611860 /nfs/dbraw/zinc/61/18/60/356611860.db2.gz CXFDNZKJAWKDQB-GFCCVEGCSA-N 2 0 284.404 -0.164 20 0 CBADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627250366 356613209 /nfs/dbraw/zinc/61/32/09/356613209.db2.gz JEMLOFHIZWDFDB-QWHCGFSZSA-N 2 0 283.420 -0.327 20 0 CBADRP CC1(C)CN(C(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1CCO ZINC000627250738 356613300 /nfs/dbraw/zinc/61/33/00/356613300.db2.gz CHBSAPLSOLQPBE-LLVKDONJSA-N 2 0 270.377 -0.554 20 0 CBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000627250756 356613825 /nfs/dbraw/zinc/61/38/25/356613825.db2.gz CZTIEBFMYDWUEP-QJPTWQEYSA-N 2 0 270.377 -0.555 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000627252090 356613873 /nfs/dbraw/zinc/61/38/73/356613873.db2.gz KJUMUBKPGNTQIZ-NEPJUHHUSA-N 2 0 267.377 -0.963 20 0 CBADRP C[NH2+]CCOCCNC(=O)N1CC[NH+](C(C)C)CC1 ZINC000627178523 356595615 /nfs/dbraw/zinc/59/56/15/356595615.db2.gz WEKZYYNEUVMHGJ-UHFFFAOYSA-N 2 0 272.393 -0.042 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627187532 356598902 /nfs/dbraw/zinc/59/89/02/356598902.db2.gz GKBWMLSGTOUICV-GFCCVEGCSA-N 2 0 272.393 -0.044 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)C[NH2+]1 ZINC000627201101 356603924 /nfs/dbraw/zinc/60/39/24/356603924.db2.gz FEQUAOCILDTEEY-WZRBSPASSA-N 2 0 272.393 -0.261 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C[NH2+]1 ZINC000627207729 356605032 /nfs/dbraw/zinc/60/50/32/356605032.db2.gz DELPIAAWEXTADZ-IJLUTSLNSA-N 2 0 270.377 -0.507 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)C[NH2+]1 ZINC000627207834 356605209 /nfs/dbraw/zinc/60/52/09/356605209.db2.gz DELPIAAWEXTADZ-WOPDTQHZSA-N 2 0 270.377 -0.507 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[NH2+]1 ZINC000627210901 356605834 /nfs/dbraw/zinc/60/58/34/356605834.db2.gz XNEXIRVCYPSOJE-FVCCEPFGSA-N 2 0 282.388 -0.413 20 0 CBADRP C[C@H]1CC[C@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[NH2+]1 ZINC000627210904 356605878 /nfs/dbraw/zinc/60/58/78/356605878.db2.gz XNEXIRVCYPSOJE-ZDEQEGDKSA-N 2 0 282.388 -0.413 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[NH2+]1 ZINC000627210597 356605969 /nfs/dbraw/zinc/60/59/69/356605969.db2.gz SADJMHQBNSLWAR-MGPQQGTHSA-N 2 0 295.431 -0.184 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)NC2(C[NH3+])CCOCC2)C[NH2+]1 ZINC000627208337 356606155 /nfs/dbraw/zinc/60/61/55/356606155.db2.gz IRNVXPVGEMPEQW-GHMZBOCLSA-N 2 0 270.377 -0.066 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[NH2+]1 ZINC000627210598 356606199 /nfs/dbraw/zinc/60/61/99/356606199.db2.gz SADJMHQBNSLWAR-RDBSUJKOSA-N 2 0 295.431 -0.184 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627349362 356630314 /nfs/dbraw/zinc/63/03/14/356630314.db2.gz LPJBSSFDQMDHFD-YRRQLQLVSA-N 2 0 294.399 -0.548 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000627349574 356630388 /nfs/dbraw/zinc/63/03/88/356630388.db2.gz SCPYJLAAXYTQPN-ZYHUDNBSSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000627353307 356630737 /nfs/dbraw/zinc/63/07/37/356630737.db2.gz YPNJFCBVHGCHPZ-CMPLNLGQSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C[N@@H+]1C1CC1 ZINC000627349795 356630761 /nfs/dbraw/zinc/63/07/61/356630761.db2.gz ZJHDILZHZVKPIS-MRBYEJRBSA-N 2 0 294.399 -0.406 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C[N@@H+]1C1CC1 ZINC000627349793 356630894 /nfs/dbraw/zinc/63/08/94/356630894.db2.gz ZJHDILZHZVKPIS-MEWQQHAOSA-N 2 0 294.399 -0.406 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NCC[N@H+](CC)C1CC1 ZINC000627364963 356632491 /nfs/dbraw/zinc/63/24/91/356632491.db2.gz BIKDPFKJNDKGHI-UHFFFAOYSA-N 2 0 270.377 -0.606 20 0 CBADRP O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627367320 356633379 /nfs/dbraw/zinc/63/33/79/356633379.db2.gz QAVRTHYKAVUBRX-PNESKVBLSA-N 2 0 294.399 -0.402 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000627369282 356634114 /nfs/dbraw/zinc/63/41/14/356634114.db2.gz PUAJGYFBYYJXER-LLVKDONJSA-N 2 0 286.420 -0.114 20 0 CBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000627258203 356616571 /nfs/dbraw/zinc/61/65/71/356616571.db2.gz WOVVWYZDGLJZIQ-QWHCGFSZSA-N 2 0 269.389 -0.004 20 0 CBADRP C[C@@H](C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000627258749 356616760 /nfs/dbraw/zinc/61/67/60/356616760.db2.gz GPFUKRFWVZOCBB-SDDRHHMPSA-N 2 0 255.362 -0.396 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[N@H+](C)C1CC1 ZINC000627372410 356635208 /nfs/dbraw/zinc/63/52/08/356635208.db2.gz LLTGRLYDALVCEY-JFGNBEQYSA-N 2 0 282.388 -0.548 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+]3CC[C@H](O)C3)C2)CC[N@@H+]1C ZINC000627270196 356618435 /nfs/dbraw/zinc/61/84/35/356618435.db2.gz DNEXGOQTTSIAGU-ZOBORPQBSA-N 2 0 281.400 -0.006 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000627290465 356621193 /nfs/dbraw/zinc/62/11/93/356621193.db2.gz QFJFQEINBAKEOI-NWDGAFQWSA-N 2 0 296.415 -0.156 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000627304626 356622805 /nfs/dbraw/zinc/62/28/05/356622805.db2.gz AKEPSIGKPVDQJJ-MROQNXINSA-N 2 0 296.415 -0.158 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000627325629 356626322 /nfs/dbraw/zinc/62/63/22/356626322.db2.gz PONAMHVWDRIESQ-JTQLQIEISA-N 2 0 268.361 -0.854 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[NH2+]1 ZINC000627325453 356626509 /nfs/dbraw/zinc/62/65/09/356626509.db2.gz KPLYJAQLZBWJRB-GRYCIOLGSA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NCC2([NH+](C)C)CCC2)C[NH2+]1 ZINC000627341958 356628917 /nfs/dbraw/zinc/62/89/17/356628917.db2.gz SJBMKIVSHVMNNS-NEPJUHHUSA-N 2 0 296.415 -0.156 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000627425240 356644395 /nfs/dbraw/zinc/64/43/95/356644395.db2.gz IZEVYQFQXKHYLK-STQMWFEESA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[NH2+]1 ZINC000627425037 356644883 /nfs/dbraw/zinc/64/48/83/356644883.db2.gz CGPOITXTEQMVLZ-LPWJVIDDSA-N 2 0 296.415 -0.301 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000627425234 356644984 /nfs/dbraw/zinc/64/49/84/356644984.db2.gz IXKCTUYCXQEEAO-UPJWGTAASA-N 2 0 294.399 -0.402 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000627425231 356645014 /nfs/dbraw/zinc/64/50/14/356645014.db2.gz IXKCTUYCXQEEAO-AGIUHOORSA-N 2 0 294.399 -0.402 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627442255 356647865 /nfs/dbraw/zinc/64/78/65/356647865.db2.gz FUPPGAWNLUTYCQ-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000627458487 356649300 /nfs/dbraw/zinc/64/93/00/356649300.db2.gz HWFSBCAKKYEVDL-WDEREUQCSA-N 2 0 270.377 -0.737 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000627458470 356649330 /nfs/dbraw/zinc/64/93/30/356649330.db2.gz HFBJZTDAIJUINY-FRRDWIJNSA-N 2 0 296.415 -0.156 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000627380656 356636070 /nfs/dbraw/zinc/63/60/70/356636070.db2.gz VQGNMSNYMLRTCL-GFCCVEGCSA-N 2 0 282.388 -0.606 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NCC[NH+](CC)CC ZINC000627389480 356636963 /nfs/dbraw/zinc/63/69/63/356636963.db2.gz GAEWNIULSXNTDZ-UHFFFAOYSA-N 2 0 258.366 -0.748 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000627394367 356638135 /nfs/dbraw/zinc/63/81/35/356638135.db2.gz FKFPXENDCBYHIT-UHFFFAOYSA-N 2 0 296.415 -0.216 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000627398676 356639062 /nfs/dbraw/zinc/63/90/62/356639062.db2.gz TWANVDXTVMUFGA-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627504178 356660208 /nfs/dbraw/zinc/66/02/08/356660208.db2.gz AJONUNCWSDDSNP-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)[C@H]2C1 ZINC000627504549 356660350 /nfs/dbraw/zinc/66/03/50/356660350.db2.gz UPHVZUMVDOKGGB-UTUOFQBUSA-N 2 0 280.372 -0.983 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627506605 356661659 /nfs/dbraw/zinc/66/16/59/356661659.db2.gz AAFNDOYGHWCXPB-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627507515 356661753 /nfs/dbraw/zinc/66/17/53/356661753.db2.gz WEIXUFZCDUCGMY-MNOVXSKESA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)C[NH2+]1 ZINC000627476709 356653430 /nfs/dbraw/zinc/65/34/30/356653430.db2.gz JYVNWWKDGXMRCF-NWDGAFQWSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000627499246 356658196 /nfs/dbraw/zinc/65/81/96/356658196.db2.gz DUDSENBYVZSCMG-RVMXOQNASA-N 2 0 294.399 -0.594 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000627502321 356658908 /nfs/dbraw/zinc/65/89/08/356658908.db2.gz RXDLVGDSVNYBSD-YVECIDJPSA-N 2 0 296.415 -0.206 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000627502951 356659040 /nfs/dbraw/zinc/65/90/40/356659040.db2.gz UJRNJJNUSPKACK-RVMXOQNASA-N 2 0 296.415 -0.348 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000627502953 356659250 /nfs/dbraw/zinc/65/92/50/356659250.db2.gz UJRNJJNUSPKACK-XQHKEYJVSA-N 2 0 296.415 -0.348 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000627503115 356659697 /nfs/dbraw/zinc/65/96/97/356659697.db2.gz ZHLPQALISHRWEP-CMPLNLGQSA-N 2 0 282.388 -0.594 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627653658 356668446 /nfs/dbraw/zinc/66/84/46/356668446.db2.gz WJFJTQBWOXWAHJ-MQYQWHSLSA-N 2 0 281.400 -0.027 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000628584782 356714090 /nfs/dbraw/zinc/71/40/90/356714090.db2.gz YWNVSRLUKYJVDO-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP [NH3+]CCCOCC[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000629539378 356777249 /nfs/dbraw/zinc/77/72/49/356777249.db2.gz QMWFTHGONAGPMW-OLZOCXBDSA-N 2 0 257.378 -0.292 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)CCCS(=O)(=O)N(C)C ZINC000629570525 356781156 /nfs/dbraw/zinc/78/11/56/356781156.db2.gz CZYNLAGYFQXNQL-UHFFFAOYSA-N 2 0 281.422 -0.564 20 0 CBADRP O=C1NCCC[C@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629559167 356779308 /nfs/dbraw/zinc/77/93/08/356779308.db2.gz CWLXMWJKAKPSOB-NWDGAFQWSA-N 2 0 255.362 -0.441 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000629165776 356748844 /nfs/dbraw/zinc/74/88/44/356748844.db2.gz DKOOWXQKHZITCE-IJLUTSLNSA-N 2 0 255.362 -0.491 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000629171816 356752399 /nfs/dbraw/zinc/75/23/99/356752399.db2.gz JIGWNAFJOSITFA-NEPJUHHUSA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)C1C[NH2+]C1 ZINC000629515543 356775644 /nfs/dbraw/zinc/77/56/44/356775644.db2.gz RLYVMLAPHSHLIB-PWSUYJOCSA-N 2 0 254.378 -0.476 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629515698 356775770 /nfs/dbraw/zinc/77/57/70/356775770.db2.gz UJOJDUJXWUVCEB-XQQFMLRXSA-N 2 0 268.405 -0.086 20 0 CBADRP COc1cncc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000629514441 356776126 /nfs/dbraw/zinc/77/61/26/356776126.db2.gz ZWJQWYLYWOCTOF-NSHDSACASA-N 2 0 293.371 -0.228 20 0 CBADRP C[N@H+](C[C@@H](O)CNCC[NH+]1CC[C@H](O)C1)C1CC1 ZINC000629618013 356787959 /nfs/dbraw/zinc/78/79/59/356787959.db2.gz RWEAJSWVRXJDID-STQMWFEESA-N 2 0 257.378 -0.902 20 0 CBADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000629653791 356788796 /nfs/dbraw/zinc/78/87/96/356788796.db2.gz NRPHYCDRGUJGSO-ZDUSSCGKSA-N 3 0 286.420 -0.649 20 0 CBADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](CC(N)=O)C2)CC[NH2+]1 ZINC000629666883 356789326 /nfs/dbraw/zinc/78/93/26/356789326.db2.gz RXIYXKPZASEQBW-WOPDTQHZSA-N 2 0 255.362 -0.049 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000629790292 356793378 /nfs/dbraw/zinc/79/33/78/356793378.db2.gz CPVHNJXQEOOZQG-GFCCVEGCSA-N 2 0 284.404 -0.406 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000629792257 356793438 /nfs/dbraw/zinc/79/34/38/356793438.db2.gz JGSMGWLYXHQPSA-ZDUSSCGKSA-N 2 0 296.415 -0.120 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000629789658 356793515 /nfs/dbraw/zinc/79/35/15/356793515.db2.gz VASNRUOSGBLYIO-UHFFFAOYSA-N 2 0 286.420 -0.160 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000629800851 356794951 /nfs/dbraw/zinc/79/49/51/356794951.db2.gz CEWMWVKABXIHBC-UHFFFAOYSA-N 2 0 272.393 -0.408 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000629800203 356795159 /nfs/dbraw/zinc/79/51/59/356795159.db2.gz XRHRVUVMJHHUCI-UHFFFAOYSA-N 2 0 296.415 -0.120 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000629798034 356795376 /nfs/dbraw/zinc/79/53/76/356795376.db2.gz HVVORXFIYQYTJA-NEPJUHHUSA-N 2 0 282.388 -0.511 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(CC)CCC[NH+](C)C ZINC000629800102 356795691 /nfs/dbraw/zinc/79/56/91/356795691.db2.gz NXTOFZKCNFORHX-UHFFFAOYSA-N 2 0 272.393 -0.406 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000629804071 356796171 /nfs/dbraw/zinc/79/61/71/356796171.db2.gz SBPVFKHJGCABFV-GFCCVEGCSA-N 2 0 284.404 -0.217 20 0 CBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000629801520 356796585 /nfs/dbraw/zinc/79/65/85/356796585.db2.gz HAIIYUSYCXBSFW-UHFFFAOYSA-N 2 0 270.377 -0.654 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629915165 356806522 /nfs/dbraw/zinc/80/65/22/356806522.db2.gz PSDKTFBMOJGRJA-OLZOCXBDSA-N 2 0 285.388 -0.863 20 0 CBADRP C[NH+](C)Cc1ccc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)cn1 ZINC000629915580 356807317 /nfs/dbraw/zinc/80/73/17/356807317.db2.gz CTBLUJZAXHTUGO-AWEZNQCLSA-N 2 0 292.383 -0.060 20 0 CBADRP C[C@@H](O)CN1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000629958299 356812450 /nfs/dbraw/zinc/81/24/50/356812450.db2.gz LHJLECOEZPYGJK-GFCCVEGCSA-N 2 0 269.389 -0.004 20 0 CBADRP C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CCC1 ZINC000630002093 356815136 /nfs/dbraw/zinc/81/51/36/356815136.db2.gz OSAXQHOTYCZXCP-LBPRGKRZSA-N 2 0 266.389 -0.365 20 0 CBADRP CS(=O)(=O)NC1CC([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000629576678 356781729 /nfs/dbraw/zinc/78/17/29/356781729.db2.gz BRUCOVDWMKFPKS-MCIGGMRASA-N 2 0 291.417 -0.887 20 0 CBADRP OCCC[N@@H+]1CCC[C@@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000629583878 356784010 /nfs/dbraw/zinc/78/40/10/356784010.db2.gz JWDBIXKBPHEVSM-CABCVRRESA-N 2 0 285.432 -0.121 20 0 CBADRP OCCC[N@@H+]1CCC[C@@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000629583880 356784200 /nfs/dbraw/zinc/78/42/00/356784200.db2.gz JWDBIXKBPHEVSM-HUUCEWRRSA-N 2 0 285.432 -0.121 20 0 CBADRP OC[C@H](C[NH+]1CCCC1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000629596050 356784635 /nfs/dbraw/zinc/78/46/35/356784635.db2.gz QTTNURBNPXSDSH-UONOGXRCSA-N 2 0 271.405 -0.511 20 0 CBADRP C[N@H+](C[C@H](O)CNCCC[NH+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000629601247 356784791 /nfs/dbraw/zinc/78/47/91/356784791.db2.gz BESVRHGZYDEKEN-KGLIPLIRSA-N 2 0 298.431 -0.629 20 0 CBADRP OC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCCOC1 ZINC000629598102 356785067 /nfs/dbraw/zinc/78/50/67/356785067.db2.gz WBMZACILBIDCTC-RDBSUJKOSA-N 2 0 272.389 -0.180 20 0 CBADRP OC[C@H](C[NH+]1CCCCC1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000629596027 356785073 /nfs/dbraw/zinc/78/50/73/356785073.db2.gz QADQRNGGCSXGER-LSDHHAIUSA-N 2 0 285.432 -0.121 20 0 CBADRP CC[C@@H](NC(C)=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000630931385 356867775 /nfs/dbraw/zinc/86/77/75/356867775.db2.gz QGBNWOJGJHZWJB-CYBMUJFWSA-N 2 0 286.420 -0.147 20 0 CBADRP CO[C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)[C@](C)(C[NH3+])C1 ZINC000630358390 356837585 /nfs/dbraw/zinc/83/75/85/356837585.db2.gz AOLDPTANYJDVHP-DYEKYZERSA-N 2 0 285.388 -0.280 20 0 CBADRP CO[C@@H]1CN(C(=O)[C@H]([NH3+])CC(F)F)[C@@](C)(C[NH3+])C1 ZINC000630373484 356840120 /nfs/dbraw/zinc/84/01/20/356840120.db2.gz KGSPWAYVQFIZDN-VAOFZXAKSA-N 2 0 265.304 -0.066 20 0 CBADRP C[NH+](C)CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630408792 356845251 /nfs/dbraw/zinc/84/52/51/356845251.db2.gz SWPSPSWAUBNBCD-UHFFFAOYSA-N 2 0 253.350 -0.264 20 0 CBADRP COCC[C@H]([NH3+])Cc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630605732 356854487 /nfs/dbraw/zinc/85/44/87/356854487.db2.gz OBQQVOYUIKVRKU-WDEREUQCSA-N 2 0 253.350 -0.064 20 0 CBADRP COCC[NH2+]CCc1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000630596776 356854497 /nfs/dbraw/zinc/85/44/97/356854497.db2.gz RMXCSARDRKRFEJ-GFCCVEGCSA-N 2 0 253.350 -0.019 20 0 CBADRP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000631837877 356910540 /nfs/dbraw/zinc/91/05/40/356910540.db2.gz GPAZSZZABZPNFO-VXGBXAGGSA-N 3 0 254.378 -0.665 20 0 CBADRP C[C@@H]1C[N@H+](CCC(=O)N2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000631837302 356911057 /nfs/dbraw/zinc/91/10/57/356911057.db2.gz QQFHAFFGEYFTMT-CHWSQXEVSA-N 2 0 268.405 -0.323 20 0 CBADRP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838167 356911155 /nfs/dbraw/zinc/91/11/55/356911155.db2.gz JTRVOWOCQRAGGF-GHMZBOCLSA-N 2 0 263.407 -0.158 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)CCC[NH+](C)C ZINC000631901861 356918277 /nfs/dbraw/zinc/91/82/77/356918277.db2.gz QFMYCUIUKMCTNA-UHFFFAOYSA-N 2 0 263.407 -0.048 20 0 CBADRP C[C@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]C1 ZINC000631902654 356918622 /nfs/dbraw/zinc/91/86/22/356918622.db2.gz NQHBFULYXDXPOJ-QJPTWQEYSA-N 2 0 291.417 -0.718 20 0 CBADRP C[C@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[C@H]1CCC[NH2+]C1 ZINC000631902656 356919044 /nfs/dbraw/zinc/91/90/44/356919044.db2.gz NQHBFULYXDXPOJ-SRVKXCTJSA-N 2 0 291.417 -0.718 20 0 CBADRP C[C@H]([NH3+])CCNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631903098 356919056 /nfs/dbraw/zinc/91/90/56/356919056.db2.gz YJLXQUQHVPUPAP-LBPRGKRZSA-N 2 0 292.449 -0.719 20 0 CBADRP CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631903801 356919338 /nfs/dbraw/zinc/91/93/38/356919338.db2.gz VBTOKKBKURNCQX-VXGBXAGGSA-N 2 0 291.417 -0.622 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000631903474 356919363 /nfs/dbraw/zinc/91/93/63/356919363.db2.gz KBCJWTSXCVPLCX-SNVBAGLBSA-N 2 0 276.406 -0.743 20 0 CBADRP CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631903799 356919533 /nfs/dbraw/zinc/91/95/33/356919533.db2.gz VBTOKKBKURNCQX-NWDGAFQWSA-N 2 0 291.417 -0.622 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)CCC[NH+](C)C)CCO1 ZINC000631907913 356921109 /nfs/dbraw/zinc/92/11/09/356921109.db2.gz XDELOEHEZHHEQO-MNOVXSKESA-N 2 0 279.406 -0.684 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)CCC[NH+](C)C)CCO1 ZINC000631907914 356921240 /nfs/dbraw/zinc/92/12/40/356921240.db2.gz XDELOEHEZHHEQO-QWRGUYRKSA-N 2 0 279.406 -0.684 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCC[N@H+](C)C1CC1 ZINC000631915092 356922269 /nfs/dbraw/zinc/92/22/69/356922269.db2.gz DLWFCBVBGULTTG-UHFFFAOYSA-N 2 0 290.433 -0.401 20 0 CBADRP C[C@@H](CC[NH+](C)C)NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631923887 356923092 /nfs/dbraw/zinc/92/30/92/356923092.db2.gz YVOCMOBWVSRERN-NSHDSACASA-N 2 0 292.449 -0.155 20 0 CBADRP CC1([NH3+])CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631930258 356924881 /nfs/dbraw/zinc/92/48/81/356924881.db2.gz BUWUPLKKNTZHIN-JTQLQIEISA-N 2 0 277.390 -0.882 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000631930162 356925555 /nfs/dbraw/zinc/92/55/55/356925555.db2.gz YNBNUYQDWJBDFW-LBPRGKRZSA-N 2 0 275.418 -0.047 20 0 CBADRP C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)CCC[NH+](C)C ZINC000631931580 356925563 /nfs/dbraw/zinc/92/55/63/356925563.db2.gz LIEUWGRRJNESPZ-GHMZBOCLSA-N 2 0 263.407 -0.063 20 0 CBADRP C[C@H](CC[NH3+])NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631932808 356926290 /nfs/dbraw/zinc/92/62/90/356926290.db2.gz ZPHXZQCFZOTQOO-SECBINFHSA-N 2 0 264.395 -0.758 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631935735 356928190 /nfs/dbraw/zinc/92/81/90/356928190.db2.gz ZEKZSMLYYZAVLE-JQWIXIFHSA-N 2 0 290.433 -0.497 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000631936059 356928389 /nfs/dbraw/zinc/92/83/89/356928389.db2.gz RKZPKKMNMRYGOI-NSHDSACASA-N 2 0 263.407 -0.061 20 0 CBADRP C[C@@H](CCC[NH3+])NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631940033 356929624 /nfs/dbraw/zinc/92/96/24/356929624.db2.gz NIXQKDHSGAHAGG-VHSXEESVSA-N 2 0 265.379 -0.978 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631940426 356929830 /nfs/dbraw/zinc/92/98/30/356929830.db2.gz VWWAUQBSVZAKNM-IUCAKERBSA-N 2 0 264.395 -0.760 20 0 CBADRP CC(C)(CCC[NH3+])NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631939601 356929848 /nfs/dbraw/zinc/92/98/48/356929848.db2.gz DKVOHLUIWKMKPD-SNVBAGLBSA-N 2 0 279.406 -0.588 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000631942453 356930245 /nfs/dbraw/zinc/93/02/45/356930245.db2.gz YDGWGVXWTXLMQY-LLVKDONJSA-N 2 0 263.407 0.000 20 0 CBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC2(CC[NH2+]2)CC1 ZINC000631946364 356931249 /nfs/dbraw/zinc/93/12/49/356931249.db2.gz YUUKMRAWSYKQOE-LLVKDONJSA-N 2 0 289.401 -0.868 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631947156 356931330 /nfs/dbraw/zinc/93/13/30/356931330.db2.gz VVVOHXUDBLPVFW-LPEHRKFASA-N 2 0 265.379 -0.980 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)NCCC1(C[NH3+])CC1 ZINC000631947434 356931572 /nfs/dbraw/zinc/93/15/72/356931572.db2.gz CPHMQVCFBHUKMD-UHFFFAOYSA-N 2 0 263.407 -0.014 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631949317 356931796 /nfs/dbraw/zinc/93/17/96/356931796.db2.gz ZXXMYGRVIVOAFR-OUAUKWLOSA-N 2 0 277.390 -0.884 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631953095 356932671 /nfs/dbraw/zinc/93/26/71/356932671.db2.gz CBQFHYSDXJUVFZ-NWDGAFQWSA-N 2 0 291.417 -0.766 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631954169 356933965 /nfs/dbraw/zinc/93/39/65/356933965.db2.gz DEWPKXVNSBWHFA-NWDGAFQWSA-N 2 0 290.433 -0.355 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631974748 356937855 /nfs/dbraw/zinc/93/78/55/356937855.db2.gz ZBHZNXXOFPRLGE-ZJUUUORDSA-N 2 0 276.406 -0.664 20 0 CBADRP CC[N@H+](CCO)CCNS(=O)(=O)CCC[NH+](C)C ZINC000632226441 356961933 /nfs/dbraw/zinc/96/19/33/356961933.db2.gz VFLPBZLZBRBXHO-UHFFFAOYSA-N 2 0 281.422 -0.828 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cn1 ZINC000632472796 356992969 /nfs/dbraw/zinc/99/29/69/356992969.db2.gz GLGUKSJYLKYJHK-AWEZNQCLSA-N 2 0 295.387 -0.759 20 0 CBADRP CC1(OCC(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)C[NH2+]C1 ZINC000632862680 357029201 /nfs/dbraw/zinc/02/92/01/357029201.db2.gz UOLRNTYMBIRZDT-NEPJUHHUSA-N 2 0 267.373 -0.035 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633079105 357040605 /nfs/dbraw/zinc/04/06/05/357040605.db2.gz RWYXXOPIVSSLTD-STQMWFEESA-N 2 0 296.415 -0.395 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633086415 357041829 /nfs/dbraw/zinc/04/18/29/357041829.db2.gz RYAIDWCZDFASPD-BETUJISGSA-N 2 0 294.399 -0.497 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633098041 357044599 /nfs/dbraw/zinc/04/45/99/357044599.db2.gz JUIHSNHQCREIHB-JQWIXIFHSA-N 2 0 280.372 -0.888 20 0 CBADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@@H+]1C ZINC000633095393 357044622 /nfs/dbraw/zinc/04/46/22/357044622.db2.gz UVGCQVCAZJKCBK-XQHKEYJVSA-N 2 0 294.399 -0.500 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000633116247 357049472 /nfs/dbraw/zinc/04/94/72/357049472.db2.gz QSVZJZCMFGNZCY-WDEREUQCSA-N 2 0 270.377 -0.655 20 0 CBADRP O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000633115958 357049567 /nfs/dbraw/zinc/04/95/67/357049567.db2.gz ZAKFZXLXBBOTBO-AVGNSLFASA-N 2 0 290.367 -0.968 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000633120853 357050771 /nfs/dbraw/zinc/05/07/71/357050771.db2.gz VEWCJGAKHFHNBP-CHWSQXEVSA-N 2 0 296.415 -0.121 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000633137918 357051043 /nfs/dbraw/zinc/05/10/43/357051043.db2.gz AAYIFHFUCISOLD-TYNCELHUSA-N 2 0 294.399 -0.511 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)C1 ZINC000633150582 357053178 /nfs/dbraw/zinc/05/31/78/357053178.db2.gz ZWRAWSADCBQMAP-RWMBFGLXSA-N 2 0 296.415 -0.265 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C1(OC)CC[NH2+]CC1 ZINC000634291087 357114526 /nfs/dbraw/zinc/11/45/26/357114526.db2.gz QXQYJQMBPZHKEP-QWRGUYRKSA-N 2 0 273.352 -0.087 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)NC[C@H]1CCCC[NH2+]1 ZINC000634191230 357108688 /nfs/dbraw/zinc/10/86/88/357108688.db2.gz HQRYJYQBRXOLFK-CYBMUJFWSA-N 2 0 283.420 -0.277 20 0 CBADRP O=C(NC[C@H]1CCCC[NH2+]1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000634269414 357112977 /nfs/dbraw/zinc/11/29/77/357112977.db2.gz GIOPNSXTAQRTRP-ZIAGYGMSSA-N 2 0 295.431 -0.182 20 0 CBADRP O=C(NC[C@H]1CCCC[NH2+]1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000634269412 357113240 /nfs/dbraw/zinc/11/32/40/357113240.db2.gz GIOPNSXTAQRTRP-KGLIPLIRSA-N 2 0 295.431 -0.182 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@H]2CCCC[NH2+]2)CCO1 ZINC000634269797 357113289 /nfs/dbraw/zinc/11/32/89/357113289.db2.gz JKOAGXIPLZLBSQ-QJPTWQEYSA-N 2 0 270.377 -0.114 20 0 CBADRP CN1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000634272318 357113972 /nfs/dbraw/zinc/11/39/72/357113972.db2.gz ZWBFMWPLPQGJHQ-NEPJUHHUSA-N 2 0 269.393 -0.587 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@]1(C)C[NH2+]CCO1)C2 ZINC000634740656 357131472 /nfs/dbraw/zinc/13/14/72/357131472.db2.gz DUESJSMVRJQLQO-MJBXVCDLSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C[C@@H]1C[NH2+]CCO1)C2 ZINC000634750115 357132707 /nfs/dbraw/zinc/13/27/07/357132707.db2.gz NKPHKYDBDRHIKL-BNOWGMLFSA-N 2 0 267.373 -0.177 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000634761487 357133240 /nfs/dbraw/zinc/13/32/40/357133240.db2.gz CFMWMIUOMBXKNZ-VXGBXAGGSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634762443 357133360 /nfs/dbraw/zinc/13/33/60/357133360.db2.gz XKFOCJIYTBTERW-YPMHNXCESA-N 2 0 298.431 -0.020 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000634765640 357134425 /nfs/dbraw/zinc/13/44/25/357134425.db2.gz XZEWIYWKEWUKHP-GFCCVEGCSA-N 2 0 268.405 -0.214 20 0 CBADRP C[C@]12C[N@H+](CC3CC[NH2+]CC3)C[C@@]1(C)C(=O)NC2=O ZINC000634999140 357141980 /nfs/dbraw/zinc/14/19/80/357141980.db2.gz QNXJFXOXNQZJTG-OKILXGFUSA-N 2 0 265.357 -0.029 20 0 CBADRP C[C@]12C[N@@H+](C[C@@]3(C)CC[NH2+]C3)C[C@@]1(C)C(=O)NC2=O ZINC000634999462 357142320 /nfs/dbraw/zinc/14/23/20/357142320.db2.gz UYSXVDRIGIXKQP-MELADBBJSA-N 2 0 265.357 -0.029 20 0 CBADRP C[C@]1(C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC[NH2+]C1 ZINC000634999460 357142626 /nfs/dbraw/zinc/14/26/26/357142626.db2.gz UYSXVDRIGIXKQP-IHRRRGAJSA-N 2 0 265.357 -0.029 20 0 CBADRP C[C@]12C[N@H+](CC34CC(C3)C[NH2+]4)C[C@@]1(C)C(=O)NC2=O ZINC000634998175 357142631 /nfs/dbraw/zinc/14/26/31/357142631.db2.gz BUPQKMNHADPBJC-HJHQOWQESA-N 2 0 263.341 -0.277 20 0 CBADRP C[C@H](C(=O)NCCCN1CC[NH+](C)CC1)[NH+](C)C ZINC000635128898 357147827 /nfs/dbraw/zinc/14/78/27/357147827.db2.gz JZCVIDWLNVACOP-GFCCVEGCSA-N 2 0 256.394 -0.310 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635546997 357174071 /nfs/dbraw/zinc/17/40/71/357174071.db2.gz DNXRJGNFIWJFIL-QWHCGFSZSA-N 2 0 268.405 -0.310 20 0 CBADRP C[C@H](C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)[NH+](C)C ZINC000635485674 357168485 /nfs/dbraw/zinc/16/84/85/357168485.db2.gz BFQWHVBJIMVIBT-DGCLKSJQSA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)[NH+](C)C ZINC000635711527 357194524 /nfs/dbraw/zinc/19/45/24/357194524.db2.gz RFHZMMHGQCXVHU-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[NH+](C)C ZINC000635781492 357205401 /nfs/dbraw/zinc/20/54/01/357205401.db2.gz WLSORJVCOVJYOZ-CYBMUJFWSA-N 2 0 299.415 -0.378 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCC[NH3+])C[NH+]1CCCCC1 ZINC000419839256 295942537 /nfs/dbraw/zinc/94/25/37/295942537.db2.gz QCNHIXQCRDLNPN-NSHDSACASA-N 2 0 270.377 -0.701 20 0 CBADRP C[C@H](C(=O)N1CCC[C@](O)(C[NH+](C)C)C1)[NH+](C)C ZINC000635861191 357220045 /nfs/dbraw/zinc/22/00/45/357220045.db2.gz KLSFODSAFAQHFA-YPMHNXCESA-N 2 0 257.378 -0.148 20 0 CBADRP C[C@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)[NH+](C)C ZINC000635861189 357220076 /nfs/dbraw/zinc/22/00/76/357220076.db2.gz KLSFODSAFAQHFA-DGCLKSJQSA-N 2 0 257.378 -0.148 20 0 CBADRP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCO)[NH+](C)C ZINC000635975272 357241420 /nfs/dbraw/zinc/24/14/20/357241420.db2.gz OHPHGMHOPQGZSE-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)[NH+](C)C ZINC000635900886 357228456 /nfs/dbraw/zinc/22/84/56/357228456.db2.gz YREUBKXSTHASOX-VXGBXAGGSA-N 2 0 254.378 -0.557 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH+]3CC[C@H](O)C3)C2)C1 ZINC000635928432 357234571 /nfs/dbraw/zinc/23/45/71/357234571.db2.gz GHXHJHYGGWPXIK-RDBSUJKOSA-N 2 0 281.400 -0.004 20 0 CBADRP C[C@H](C(=O)N[C@@]1(C)CCN(C(=O)[C@@H](C)[NH+](C)C)C1)[NH+](C)C ZINC000635942998 357236405 /nfs/dbraw/zinc/23/64/05/357236405.db2.gz JLJBPOIVKREEQA-JMSVASOKSA-N 2 0 298.431 -0.006 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000635947958 357237863 /nfs/dbraw/zinc/23/78/63/357237863.db2.gz GJMPGPIJWXMPTR-WOPDTQHZSA-N 2 0 255.362 -0.539 20 0 CBADRP C[C@H](C(=O)N1CCCN(C(=O)[C@@H](C)[NH+](C)C)CC1)[NH+](C)C ZINC000635602856 357182462 /nfs/dbraw/zinc/18/24/62/357182462.db2.gz KDVWWJYTRAEDAQ-CHWSQXEVSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[NH+](CC)CCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636445438 357285337 /nfs/dbraw/zinc/28/53/37/357285337.db2.gz KGXVDEBJWWERJT-LBPRGKRZSA-N 2 0 272.393 -0.306 20 0 CBADRP CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000636476286 357286535 /nfs/dbraw/zinc/28/65/35/357286535.db2.gz PMIABLJDKCGKIY-ZDUSSCGKSA-N 2 0 284.404 -0.164 20 0 CBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000636578686 357290029 /nfs/dbraw/zinc/29/00/29/357290029.db2.gz NLODGZOFCIYYIA-MELADBBJSA-N 2 0 296.415 -0.021 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000636578685 357290265 /nfs/dbraw/zinc/29/02/65/357290265.db2.gz NLODGZOFCIYYIA-MCIONIFRSA-N 2 0 296.415 -0.021 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000636624528 357294064 /nfs/dbraw/zinc/29/40/64/357294064.db2.gz VWGRJRAUZTUXGJ-NEPJUHHUSA-N 2 0 270.377 -0.554 20 0 CBADRP C[N@H+](CCNC(=O)NCC[NH+]1CC[C@@H](O)C1)C1CC1 ZINC000636777015 357302695 /nfs/dbraw/zinc/30/26/95/357302695.db2.gz LDZQJHXSGGTQMO-GFCCVEGCSA-N 2 0 270.377 -0.554 20 0 CBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000636820712 357305280 /nfs/dbraw/zinc/30/52/80/357305280.db2.gz ZEIYQGTWTAIWHE-KBPBESRZSA-N 2 0 296.415 -0.164 20 0 CBADRP C[C@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)[NH+](C)C ZINC000636077581 357261194 /nfs/dbraw/zinc/26/11/94/357261194.db2.gz KMRPSSKBGWFXEO-GHMZBOCLSA-N 2 0 270.377 -0.485 20 0 CBADRP C[C@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)[NH+](C)C ZINC000636077582 357261355 /nfs/dbraw/zinc/26/13/55/357261355.db2.gz KMRPSSKBGWFXEO-MNOVXSKESA-N 2 0 270.377 -0.485 20 0 CBADRP C[NH+](C)CCN1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1=O ZINC000636119258 357264257 /nfs/dbraw/zinc/26/42/57/357264257.db2.gz IPOOYDDSYPSKNO-UHFFFAOYSA-N 2 0 296.415 -0.439 20 0 CBADRP O=C(CNC(=O)C12CCC[NH+](CCC1)C2)N1CC[NH2+]CC1 ZINC000637812992 357369470 /nfs/dbraw/zinc/36/94/70/357369470.db2.gz HIEYAKWWQQVVSW-UHFFFAOYSA-N 2 0 294.399 -0.590 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH2+]C1 ZINC000637812357 357369742 /nfs/dbraw/zinc/36/97/42/357369742.db2.gz RRKUGBIDDBPVLU-GFCCVEGCSA-N 2 0 273.377 -0.551 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000637812959 357370016 /nfs/dbraw/zinc/37/00/16/357370016.db2.gz GJDZHEKFFIXTTM-RYUDHWBXSA-N 2 0 282.388 -0.606 20 0 CBADRP CC[NH2+][C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000637818111 357370255 /nfs/dbraw/zinc/37/02/55/357370255.db2.gz AJXYJGAHCBOSNJ-WDEREUQCSA-N 2 0 270.377 -0.702 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000637820849 357370604 /nfs/dbraw/zinc/37/06/04/357370604.db2.gz JQWVOTXAZBISST-CHWSQXEVSA-N 2 0 296.415 -0.358 20 0 CBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000637832534 357372953 /nfs/dbraw/zinc/37/29/53/357372953.db2.gz IJIZBYMEFMIMFD-RWMBFGLXSA-N 2 0 267.373 -0.035 20 0 CBADRP [NH3+]C[C@]1(C(=O)NCC[C@@H]2CC[NH2+]C2)CCCOC1 ZINC000637832841 357373131 /nfs/dbraw/zinc/37/31/31/357373131.db2.gz LEKSDQARQSDFRC-WCQYABFASA-N 2 0 255.362 -0.142 20 0 CBADRP [NH3+][C@H](CNC(=O)CN1CC[NH2+]CC1)c1ccccc1 ZINC000637833615 357373828 /nfs/dbraw/zinc/37/38/28/357373828.db2.gz UVTLZPMAGOOLJQ-CYBMUJFWSA-N 2 0 262.357 -0.292 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)CCC1C[NH2+]C1 ZINC000637836071 357374041 /nfs/dbraw/zinc/37/40/41/357374041.db2.gz SFYMMYYRPCPLEH-UHFFFAOYSA-N 2 0 254.378 -0.650 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000637147225 357326301 /nfs/dbraw/zinc/32/63/01/357326301.db2.gz HALDGVWOVWWLPL-WDEREUQCSA-N 2 0 258.366 -0.698 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000637847063 357376136 /nfs/dbraw/zinc/37/61/36/357376136.db2.gz FZXGOVSJXBFRNN-NWDGAFQWSA-N 2 0 254.378 -0.523 20 0 CBADRP C[C@@H]1CN(C(=O)NCC[NH2+]C2CC2)C[C@H](C)[N@H+]1CCO ZINC000637349034 357339194 /nfs/dbraw/zinc/33/91/94/357339194.db2.gz XWLPJMDXLNMBIH-TXEJJXNPSA-N 2 0 284.404 -0.165 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000637402137 357344034 /nfs/dbraw/zinc/34/40/34/357344034.db2.gz RTUVHPBOQDKIAO-HAQNSBGRSA-N 2 0 299.419 -0.567 20 0 CBADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000637852732 357377228 /nfs/dbraw/zinc/37/72/28/357377228.db2.gz HSHSRRBONGDUKD-VXGBXAGGSA-N 2 0 254.378 -0.475 20 0 CBADRP C[NH+](C)CCn1cc(C(=O)NCC(C)(C)[NH3+])cn1 ZINC000637857471 357377540 /nfs/dbraw/zinc/37/75/40/357377540.db2.gz LADVSDHVRIXHNJ-UHFFFAOYSA-N 2 0 253.350 -0.088 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000637798622 357365275 /nfs/dbraw/zinc/36/52/75/357365275.db2.gz OJVOKQSBPXJSJE-ZDUSSCGKSA-N 2 0 268.405 -0.260 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000637800055 357365320 /nfs/dbraw/zinc/36/53/20/357365320.db2.gz WVQLLHPZMRIWAO-GFCCVEGCSA-N 2 0 254.378 -0.650 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000637800116 357365819 /nfs/dbraw/zinc/36/58/19/357365819.db2.gz YKFZTXDUSZDKJB-DGCLKSJQSA-N 2 0 255.362 -0.177 20 0 CBADRP [NH3+]C[C@]1(C(=O)NCC2CC[NH2+]CC2)CCCOC1 ZINC000637805097 357366275 /nfs/dbraw/zinc/36/62/75/357366275.db2.gz JFAAFKURCXVXCA-CYBMUJFWSA-N 2 0 255.362 -0.142 20 0 CBADRP [NH3+]CC1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000637803692 357366326 /nfs/dbraw/zinc/36/63/26/357366326.db2.gz GCMBSJSHNCNSKF-CYBMUJFWSA-N 2 0 255.362 -0.061 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000637802489 357366960 /nfs/dbraw/zinc/36/69/60/357366960.db2.gz RRBFDYGATGBLMY-LLVKDONJSA-N 2 0 255.362 -0.096 20 0 CBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000637811595 357368619 /nfs/dbraw/zinc/36/86/19/357368619.db2.gz WXTKBENMYVOGFS-GFCCVEGCSA-N 2 0 282.388 -0.782 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638231522 357440531 /nfs/dbraw/zinc/44/05/31/357440531.db2.gz QCDCWJKGVFRMGL-WZRBSPASSA-N 2 0 254.378 -0.606 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638238362 357441577 /nfs/dbraw/zinc/44/15/77/357441577.db2.gz XOJYECCHTOLHCQ-FIQHERPVSA-N 2 0 255.362 -0.016 20 0 CBADRP C[NH+]1CCC(NC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638050972 357406032 /nfs/dbraw/zinc/40/60/32/357406032.db2.gz WLMRXZMTXAAOKZ-CYBMUJFWSA-N 2 0 255.362 -0.048 20 0 CBADRP C[NH+](C)CC1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000638239871 357442073 /nfs/dbraw/zinc/44/20/73/357442073.db2.gz FCWNTWBSCKTHGG-ZDUSSCGKSA-N 2 0 280.416 -0.166 20 0 CBADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@]2(C)C[NH2+]CCO2)C[C@H](C)O1 ZINC000638060529 357407600 /nfs/dbraw/zinc/40/76/00/357407600.db2.gz NAOORPLKXBXGSQ-VNHYZAJKSA-N 2 0 299.415 -0.020 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000638243035 357442118 /nfs/dbraw/zinc/44/21/18/357442118.db2.gz JQKLFJTYOBKZIN-ZIQFBCGOSA-N 2 0 251.330 -0.816 20 0 CBADRP C[NH+](C)CC1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638068360 357408334 /nfs/dbraw/zinc/40/83/34/357408334.db2.gz WOMDWDCACRNAAI-NWDGAFQWSA-N 2 0 255.362 -0.097 20 0 CBADRP C[C@@]1(C(=O)NCCCC[NH+]2CCOCC2)C[NH2+]CCO1 ZINC000638066864 357408646 /nfs/dbraw/zinc/40/86/46/357408646.db2.gz NIGUQSHRJGWOKT-AWEZNQCLSA-N 2 0 285.388 -0.407 20 0 CBADRP C[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000638071521 357409637 /nfs/dbraw/zinc/40/96/37/357409637.db2.gz GEDPIDBLKHREGM-FZMZJTMJSA-N 2 0 267.373 -0.035 20 0 CBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638073237 357410860 /nfs/dbraw/zinc/41/08/60/357410860.db2.gz SSKWQCVELFHIFB-YPMHNXCESA-N 2 0 255.362 -0.190 20 0 CBADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638075338 357411250 /nfs/dbraw/zinc/41/12/50/357411250.db2.gz DZVQYMCNSKBVST-AAEUAGOBSA-N 2 0 255.362 -0.048 20 0 CBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638073236 357411333 /nfs/dbraw/zinc/41/13/33/357411333.db2.gz SSKWQCVELFHIFB-WCQYABFASA-N 2 0 255.362 -0.190 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638078158 357412616 /nfs/dbraw/zinc/41/26/16/357412616.db2.gz DVIORVTYXGBYBQ-UKRRQHHQSA-N 2 0 299.415 -0.020 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638098193 357415971 /nfs/dbraw/zinc/41/59/71/357415971.db2.gz FBXYNOOWPYFJRG-GRYCIOLGSA-N 2 0 271.361 -0.670 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)C1 ZINC000638098783 357417259 /nfs/dbraw/zinc/41/72/59/357417259.db2.gz CQDRVHOZIXMFFS-OUCADQQQSA-N 2 0 285.388 -0.410 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)C1 ZINC000638098781 357417284 /nfs/dbraw/zinc/41/72/84/357417284.db2.gz CQDRVHOZIXMFFS-OBJOEFQTSA-N 2 0 285.388 -0.410 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000638099578 357417308 /nfs/dbraw/zinc/41/73/08/357417308.db2.gz HUJUFGBTDJKHET-OLZOCXBDSA-N 2 0 297.399 -0.136 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000638102869 357418042 /nfs/dbraw/zinc/41/80/42/357418042.db2.gz XGCOMVDZRKXEMH-CYBMUJFWSA-N 2 0 268.405 -0.118 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638102800 357418422 /nfs/dbraw/zinc/41/84/22/357418422.db2.gz WUJBCYMRRKQDGF-TZMCWYRMSA-N 2 0 285.388 -0.421 20 0 CBADRP C[C@@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)[N@H+](C)C1CC1 ZINC000638102674 357418466 /nfs/dbraw/zinc/41/84/66/357418466.db2.gz VMUWLAXECJUINP-GWCFXTLKSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@H]([NH3+])CC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000638103519 357418524 /nfs/dbraw/zinc/41/85/24/357418524.db2.gz PTAYZOSJFQHQGQ-SRVKXCTJSA-N 2 0 255.362 -0.219 20 0 CBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H]3OCC[C@@H]3[NH3+])C2)CC1 ZINC000638116873 357420151 /nfs/dbraw/zinc/42/01/51/357420151.db2.gz MCPASBDFHFCYQO-KWCYVHTRSA-N 3 0 296.415 -0.613 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638123567 357421689 /nfs/dbraw/zinc/42/16/89/357421689.db2.gz PUXSTEGOEMQPSN-CQSZACIVSA-N 2 0 287.404 -0.174 20 0 CBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000638246690 357442801 /nfs/dbraw/zinc/44/28/01/357442801.db2.gz DGCNNSJWKNHVRM-GUDRVLHUSA-N 2 0 259.325 -0.430 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000638122904 357422226 /nfs/dbraw/zinc/42/22/26/357422226.db2.gz SKFDPRYMMACRDS-OLZOCXBDSA-N 2 0 283.372 -0.574 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)C[NH2+]CCO1 ZINC000638127365 357422445 /nfs/dbraw/zinc/42/24/45/357422445.db2.gz VGZDJLMPMBSFBP-ZFWWWQNUSA-N 2 0 297.399 -0.454 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638130547 357422866 /nfs/dbraw/zinc/42/28/66/357422866.db2.gz JWSFYNPROHSBMR-GRYCIOLGSA-N 2 0 255.362 -0.097 20 0 CBADRP C[C@@]1(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C[NH2+]CCO1 ZINC000638133175 357423844 /nfs/dbraw/zinc/42/38/44/357423844.db2.gz ITUBEAAFEZOFCM-ZFWWWQNUSA-N 2 0 297.399 -0.454 20 0 CBADRP C[C@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)C[NH+]1CCN(C)CC1 ZINC000638137519 357424008 /nfs/dbraw/zinc/42/40/08/357424008.db2.gz KLJWKUXEROIEGU-UKRRQHHQSA-N 2 0 298.431 -0.635 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638137001 357424269 /nfs/dbraw/zinc/42/42/69/357424269.db2.gz QFLURVNIHLRYCK-UKRRQHHQSA-N 2 0 298.431 -0.493 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638137100 357424433 /nfs/dbraw/zinc/42/44/33/357424433.db2.gz RKMNIZGNQWYUKG-OAHLLOKOSA-N 2 0 298.431 -0.504 20 0 CBADRP C[C@]1(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C[NH2+]CCO1 ZINC000638245223 357442935 /nfs/dbraw/zinc/44/29/35/357442935.db2.gz AWJNRFMVONFAGM-DMDPSCGWSA-N 2 0 253.346 -0.425 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CCCC[NH2+]1 ZINC000638138415 357425079 /nfs/dbraw/zinc/42/50/79/357425079.db2.gz ARAMFOZPGSSLMT-HIFRSBDPSA-N 2 0 298.431 -0.493 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638142120 357425167 /nfs/dbraw/zinc/42/51/67/357425167.db2.gz YKDWYHHARLJNRR-HIFRSBDPSA-N 2 0 298.431 -0.506 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3OCC[C@@H]3[NH3+])CC2)C1 ZINC000638139211 357425231 /nfs/dbraw/zinc/42/52/31/357425231.db2.gz KEQUTNGIUUFPBT-HZSPNIEDSA-N 2 0 296.415 -0.659 20 0 CBADRP C[C@@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)N1CC[NH+](C)CC1 ZINC000638139694 357425308 /nfs/dbraw/zinc/42/53/08/357425308.db2.gz GDZKHMJSSYYYRM-JSGCOSHPSA-N 2 0 284.404 -0.883 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638138429 357425484 /nfs/dbraw/zinc/42/54/84/357425484.db2.gz AVAWFQWLAIZEMY-GXTWGEPZSA-N 2 0 284.404 -0.896 20 0 CBADRP C[C@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)N1CC[NH+](C)CC1 ZINC000638139055 357425492 /nfs/dbraw/zinc/42/54/92/357425492.db2.gz BPIJKTRHSQQIAW-UKRRQHHQSA-N 2 0 298.431 -0.506 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000638151882 357425807 /nfs/dbraw/zinc/42/58/07/357425807.db2.gz GGIUTEXRVSTDFA-RYUDHWBXSA-N 2 0 271.361 -0.798 20 0 CBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638145849 357426624 /nfs/dbraw/zinc/42/66/24/357426624.db2.gz OGWNSUNLXPSQOJ-WZRBSPASSA-N 2 0 255.362 -0.062 20 0 CBADRP COC[C@@]1(C(=O)NC[C@H]([NH3+])C2CC2)CCCC[NH2+]1 ZINC000638152013 357427476 /nfs/dbraw/zinc/42/74/76/357427476.db2.gz CFZSBIRHVNOEKD-WCQYABFASA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@]1(CNC(=O)CN2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000638162167 357428507 /nfs/dbraw/zinc/42/85/07/357428507.db2.gz DPRDEPVJIIBNQR-ZDUSSCGKSA-N 2 0 254.378 -0.603 20 0 CBADRP C[C@@]1(CNC(=O)[C@]2(C)C[NH2+]CCO2)CCC[NH2+]C1 ZINC000638162148 357428643 /nfs/dbraw/zinc/42/86/43/357428643.db2.gz CZTYMTAFYLYTHS-OLZOCXBDSA-N 2 0 255.362 -0.129 20 0 CBADRP C[C@]1(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[NH2+]CCO1 ZINC000638166021 357428833 /nfs/dbraw/zinc/42/88/33/357428833.db2.gz UPBFLOQVILSQCT-ZJQBRPOHSA-N 2 0 267.373 -0.049 20 0 CBADRP CC1(C)CN(C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@@H+]1CCO ZINC000638164113 357428856 /nfs/dbraw/zinc/42/88/56/357428856.db2.gz BDRLUEKVMHPNKZ-LBPRGKRZSA-N 2 0 284.404 -0.178 20 0 CBADRP C[C@]1(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C[NH2+]CCO1 ZINC000638166017 357428968 /nfs/dbraw/zinc/42/89/68/357428968.db2.gz UPBFLOQVILSQCT-FMCLSXCISA-N 2 0 267.373 -0.049 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H]2CC[NH2+]C2)CCCC[NH2+]1 ZINC000638164025 357429146 /nfs/dbraw/zinc/42/91/46/357429146.db2.gz FYHKUOBALNBVQO-YPMHNXCESA-N 2 0 255.362 -0.129 20 0 CBADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000638172445 357431282 /nfs/dbraw/zinc/43/12/82/357431282.db2.gz OOKFDTITZBCBQA-ZIAGYGMSSA-N 2 0 293.367 -0.249 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000638178725 357432602 /nfs/dbraw/zinc/43/26/02/357432602.db2.gz PCUZFOKHWOHMFD-ZPFDUUQYSA-N 2 0 255.362 -0.132 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000638176312 357432669 /nfs/dbraw/zinc/43/26/69/357432669.db2.gz VILCYRHYCQSYDR-DGCLKSJQSA-N 2 0 253.346 -0.211 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638182718 357433631 /nfs/dbraw/zinc/43/36/31/357433631.db2.gz XUOCOPNKJFPATA-MDZLAQPJSA-N 2 0 255.362 -0.144 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638204267 357433850 /nfs/dbraw/zinc/43/38/50/357433850.db2.gz PHRIIDPKXMLEHL-MDZLAQPJSA-N 2 0 255.362 -0.144 20 0 CBADRP C[C@]1(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C[NH2+]CCO1 ZINC000638199306 357433955 /nfs/dbraw/zinc/43/39/55/357433955.db2.gz COXADPOGIZKQGV-NQBHXWOUSA-N 2 0 253.346 -0.425 20 0 CBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638204268 357434582 /nfs/dbraw/zinc/43/45/82/357434582.db2.gz PHRIIDPKXMLEHL-NQBHXWOUSA-N 2 0 255.362 -0.144 20 0 CBADRP COC[C@]1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCCC[NH2+]1 ZINC000638213382 357435269 /nfs/dbraw/zinc/43/52/69/357435269.db2.gz IXCOXRGINKWTOS-SCRDCRAPSA-N 2 0 267.373 -0.177 20 0 CBADRP COCC1(CNC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC[NH2+]CC1 ZINC000638224009 357436613 /nfs/dbraw/zinc/43/66/13/357436613.db2.gz CLXLWYDXJYKCAS-JSGCOSHPSA-N 2 0 299.415 -0.114 20 0 CBADRP COCC1(CNC(=O)[C@]2(C[NH3+])CCCOC2)CC[NH2+]CC1 ZINC000638224229 357436790 /nfs/dbraw/zinc/43/67/90/357436790.db2.gz GOXULTIDTDQKSJ-HNNXBMFYSA-N 2 0 299.415 -0.126 20 0 CBADRP [NH3+]C[C@H]1CCC[C@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638226176 357437013 /nfs/dbraw/zinc/43/70/13/357437013.db2.gz LAEIFZQRSFVMOC-WISYIIOYSA-N 2 0 252.362 -0.025 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000638226097 357437045 /nfs/dbraw/zinc/43/70/45/357437045.db2.gz CXCUUFXGUCCTCH-KBPBESRZSA-N 2 0 280.416 -0.023 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000638226723 357437594 /nfs/dbraw/zinc/43/75/94/357437594.db2.gz IOHZXJVFOIEZOL-UONOGXRCSA-N 2 0 280.416 -0.166 20 0 CBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)C1 ZINC000638229263 357439720 /nfs/dbraw/zinc/43/97/20/357439720.db2.gz ISFZNKVWBWVMIP-OPDFLTKYSA-N 2 0 283.372 -0.657 20 0 CBADRP COC[C@]1(CNC(=O)[C@@]2(C[NH3+])CCCOC2)CCC[NH2+]1 ZINC000638232404 357440088 /nfs/dbraw/zinc/44/00/88/357440088.db2.gz SCVKQHMHDYQUFV-ZIAGYGMSSA-N 2 0 285.388 -0.373 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638231519 357440142 /nfs/dbraw/zinc/44/01/42/357440142.db2.gz QCDCWJKGVFRMGL-MDZLAQPJSA-N 2 0 254.378 -0.606 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000638572118 357495801 /nfs/dbraw/zinc/49/58/01/357495801.db2.gz HWPIOOOAHFGWRA-SDDRHHMPSA-N 2 0 292.387 -0.100 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638577025 357497224 /nfs/dbraw/zinc/49/72/24/357497224.db2.gz VPIHWWHZEYXEFC-DMDPSCGWSA-N 2 0 255.362 -0.001 20 0 CBADRP C[NH2+]CCOCCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000638579352 357497989 /nfs/dbraw/zinc/49/79/89/357497989.db2.gz OZGMYTKCZWELGJ-TYNCELHUSA-N 2 0 299.415 -0.129 20 0 CBADRP C[NH2+]CCOCCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000638585305 357498718 /nfs/dbraw/zinc/49/87/18/357498718.db2.gz XLNROVUQAFDCAZ-LLVKDONJSA-N 2 0 259.350 -0.893 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)C1(OC)CC[NH2+]CC1 ZINC000638586610 357499042 /nfs/dbraw/zinc/49/90/42/357499042.db2.gz VAPUPWVABRSBMK-UHFFFAOYSA-N 2 0 273.377 -0.551 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638594195 357499497 /nfs/dbraw/zinc/49/94/97/357499497.db2.gz LMAOIOPTHRZXSP-YPMHNXCESA-N 2 0 273.377 -0.552 20 0 CBADRP C[NH2+]CCOCCN(C)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638594967 357500251 /nfs/dbraw/zinc/50/02/51/357500251.db2.gz WOHYFCYRDPJOSI-GFCCVEGCSA-N 2 0 259.350 -0.941 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)c1cc(C2CC[NH2+]CC2)no1 ZINC000638610634 357502689 /nfs/dbraw/zinc/50/26/89/357502689.db2.gz CPLCOVYYGZJWDU-NSHDSACASA-N 2 0 294.355 -0.140 20 0 CBADRP [NH3+]C[C@H](C(=O)NC[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000638623881 357512319 /nfs/dbraw/zinc/51/23/19/357512319.db2.gz LKNZCGNWDFKSHV-STQMWFEESA-N 2 0 263.341 -0.167 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)C1([NH2+]C2CC2)CCC1 ZINC000638613143 357505532 /nfs/dbraw/zinc/50/55/32/357505532.db2.gz HFVNQFXUFNOCKJ-NSHDSACASA-N 2 0 253.346 -0.234 20 0 CBADRP [NH3+]C[C@H](C(=O)NC[C@@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000638615786 357506028 /nfs/dbraw/zinc/50/60/28/357506028.db2.gz HHLGHCUTVLDKDA-OLZOCXBDSA-N 2 0 281.331 -0.027 20 0 CBADRP O=C(C[C@H]1CSCC[NH2+]1)NC[C@H]1COCC[NH2+]1 ZINC000638615556 357506154 /nfs/dbraw/zinc/50/61/54/357506154.db2.gz FHHSVOTYSPUBJD-UWVGGRQHSA-N 2 0 259.375 -0.814 20 0 CBADRP [NH3+]C[C@H](C(=O)NC[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000638623879 357512432 /nfs/dbraw/zinc/51/24/32/357512432.db2.gz LKNZCGNWDFKSHV-OLZOCXBDSA-N 2 0 263.341 -0.167 20 0 CBADRP CC1CC[NH+](CC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000638615529 357506582 /nfs/dbraw/zinc/50/65/82/357506582.db2.gz DIZQLQCEPPUKBV-GFCCVEGCSA-N 2 0 255.362 -0.177 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000638616129 357508097 /nfs/dbraw/zinc/50/80/97/357508097.db2.gz MSMQNIGQKWRFPM-FRRDWIJNSA-N 2 0 267.373 -0.273 20 0 CBADRP C[C@@]([NH3+])(C(=O)NC[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000638616242 357508247 /nfs/dbraw/zinc/50/82/47/357508247.db2.gz PCNXDRQBJHZGFA-JSGCOSHPSA-N 2 0 263.341 -0.035 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000638248417 357444400 /nfs/dbraw/zinc/44/44/00/357444400.db2.gz SHMZKCXWUHJNGN-RYUDHWBXSA-N 2 0 252.362 -0.898 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000638257792 357445340 /nfs/dbraw/zinc/44/53/40/357445340.db2.gz WWLBXNSYLILEPV-UWVGGRQHSA-N 2 0 253.350 -0.090 20 0 CBADRP C[C@]1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C[NH2+]CCO1 ZINC000638260029 357445360 /nfs/dbraw/zinc/44/53/60/357445360.db2.gz NDYOAZKQURHGCD-VNHYZAJKSA-N 2 0 297.399 -0.280 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000638263434 357446189 /nfs/dbraw/zinc/44/61/89/357446189.db2.gz BTWAOMRRVWJYQM-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638269269 357447072 /nfs/dbraw/zinc/44/70/72/357447072.db2.gz NMRIDXQBWDPXRI-WZRBSPASSA-N 2 0 255.362 -0.015 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638276566 357448342 /nfs/dbraw/zinc/44/83/42/357448342.db2.gz ZQBDIFWRPFYJPQ-NWDGAFQWSA-N 2 0 271.361 -0.717 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638275422 357448466 /nfs/dbraw/zinc/44/84/66/357448466.db2.gz RTMQJKJIWBPJBN-OAHLLOKOSA-N 2 0 299.415 -0.077 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1C[NH2+]CCC1(F)F ZINC000638617184 357508969 /nfs/dbraw/zinc/50/89/69/357508969.db2.gz XGNUCLBXDOSOKB-IUCAKERBSA-N 2 0 263.288 -0.664 20 0 CBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCOCC[NH+](C)C)C1 ZINC000638290495 357451298 /nfs/dbraw/zinc/45/12/98/357451298.db2.gz HOOCEOOHUQNNIX-WCQYABFASA-N 2 0 273.377 -0.552 20 0 CBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638618801 357509083 /nfs/dbraw/zinc/50/90/83/357509083.db2.gz OTAQYMLWZFYDFD-IJLUTSLNSA-N 2 0 255.362 -0.036 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638304509 357454075 /nfs/dbraw/zinc/45/40/75/357454075.db2.gz QODKGEKXGNUIGB-ZDUSSCGKSA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)C[C@@]1(C)C[NH3+] ZINC000638337754 357459114 /nfs/dbraw/zinc/45/91/14/357459114.db2.gz ZBKAHTLZRNVEOX-DGCLKSJQSA-N 2 0 254.378 -0.665 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]2(C)C[NH2+]CCO2)C[C@@]1(C)C[NH3+] ZINC000638337340 357459829 /nfs/dbraw/zinc/45/98/29/357459829.db2.gz RIHOOFPUIDAEHK-RTXFEEFZSA-N 2 0 255.362 -0.192 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@@]2(C[NH3+])CCCOC2)CCCO1 ZINC000638342593 357460796 /nfs/dbraw/zinc/46/07/96/357460796.db2.gz HWEDYMIQPIWETM-WCQYABFASA-N 2 0 271.361 -0.682 20 0 CBADRP C[C@]1(C(=O)N2CCC3(CC[NH2+]3)CC2)C[NH2+]CCO1 ZINC000638357412 357462716 /nfs/dbraw/zinc/46/27/16/357462716.db2.gz LPHKUEMHVQUZJS-GFCCVEGCSA-N 2 0 253.346 -0.281 20 0 CBADRP C[C@]1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[NH2+]CCO1 ZINC000638384349 357464447 /nfs/dbraw/zinc/46/44/47/357464447.db2.gz OCOXASVRKJKXNO-YUTCNCBUSA-N 2 0 267.373 -0.048 20 0 CBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000638397010 357468230 /nfs/dbraw/zinc/46/82/30/357468230.db2.gz BYJMWPMUAPYMDS-MCIONIFRSA-N 2 0 297.399 -0.184 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000638404942 357469434 /nfs/dbraw/zinc/46/94/34/357469434.db2.gz QDPYLTHEGZNOKS-GFCCVEGCSA-N 2 0 268.405 -0.119 20 0 CBADRP CC[NH2+][C@H](C)C(=O)NCCN(C)CCC[NH+](C)C ZINC000638408368 357470876 /nfs/dbraw/zinc/47/08/76/357470876.db2.gz GTDFZGRNUSZMAG-GFCCVEGCSA-N 2 0 258.410 -0.016 20 0 CBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000638417736 357472914 /nfs/dbraw/zinc/47/29/14/357472914.db2.gz JUDWOHAAQYPWFC-JKFXUVRWSA-N 2 0 253.346 -0.297 20 0 CBADRP C[C@]1(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[NH2+]CCO1 ZINC000638424180 357473017 /nfs/dbraw/zinc/47/30/17/357473017.db2.gz JEFVUSXBSLTDJA-DZGCQCFKSA-N 2 0 297.399 -0.266 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638425557 357474434 /nfs/dbraw/zinc/47/44/34/357474434.db2.gz NFWUJOHHOHOQEJ-YPMHNXCESA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+][C@@H]1CC=C(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000638427225 357474658 /nfs/dbraw/zinc/47/46/58/357474658.db2.gz VFWQMAIGGJDWOD-CHWSQXEVSA-N 2 0 264.373 -0.460 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)CCO1 ZINC000638430767 357475336 /nfs/dbraw/zinc/47/53/36/357475336.db2.gz AZWJUOYCOHKICQ-CQSZACIVSA-N 2 0 298.431 -0.539 20 0 CBADRP [NH3+]C[C@]1(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCCOC1 ZINC000638430152 357475853 /nfs/dbraw/zinc/47/58/53/357475853.db2.gz JMUXBZCVVUKTDP-CKYFFXLPSA-N 2 0 259.325 -0.360 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000638439248 357477693 /nfs/dbraw/zinc/47/76/93/357477693.db2.gz DGRSSXKJDLNFEV-LLVKDONJSA-N 2 0 253.346 -0.471 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638479844 357482890 /nfs/dbraw/zinc/48/28/90/357482890.db2.gz FOEGGQKIFMEHML-RYUDHWBXSA-N 2 0 297.403 -0.861 20 0 CBADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638479843 357482965 /nfs/dbraw/zinc/48/29/65/357482965.db2.gz FOEGGQKIFMEHML-NWDGAFQWSA-N 2 0 297.403 -0.861 20 0 CBADRP C[C@H](C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[NH+](C)C ZINC000638481728 357483083 /nfs/dbraw/zinc/48/30/83/357483083.db2.gz PYVHVQWFRKIZDL-GFCCVEGCSA-N 2 0 297.403 -0.894 20 0 CBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@@H](N)CC[NH+](C)C ZINC000638492374 357484929 /nfs/dbraw/zinc/48/49/29/357484929.db2.gz OREPZTPZYNXJSM-NWDGAFQWSA-N 3 0 256.394 -0.278 20 0 CBADRP CC[NH2+][C@H](C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000638496582 357486578 /nfs/dbraw/zinc/48/65/78/357486578.db2.gz VFTRGSFMUUDFNZ-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638507184 357491263 /nfs/dbraw/zinc/49/12/63/357491263.db2.gz BLKDWSPVOWNHOJ-MNOVXSKESA-N 2 0 253.346 -0.234 20 0 CBADRP [NH3+][C@@H]1CCCCN(CC(=O)N[C@H]2CC[NH2+]C23CCC3)C1=O ZINC000638510645 357492068 /nfs/dbraw/zinc/49/20/68/357492068.db2.gz KHDDZPAOCRVSCV-NEPJUHHUSA-N 2 0 294.399 -0.273 20 0 CBADRP CCN(CC[NH3+])C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000638512705 357492112 /nfs/dbraw/zinc/49/21/12/357492112.db2.gz JLOYDGDSRUKHKK-UHFFFAOYSA-N 2 0 253.350 -0.135 20 0 CBADRP CC(C)(C(=O)NCC1([NH3+])CCOCC1)N1CC[NH2+]CC1 ZINC000638535846 357493617 /nfs/dbraw/zinc/49/36/17/357493617.db2.gz ROPRTYGQXZYFJB-UHFFFAOYSA-N 2 0 284.404 -0.706 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[C@H]1C(F)(F)F ZINC000638546160 357493995 /nfs/dbraw/zinc/49/39/95/357493995.db2.gz BOZOHZZVFIBBPB-OPRDCNLKSA-N 2 0 295.305 -0.040 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[C@@H]1C(F)(F)F ZINC000638553596 357494134 /nfs/dbraw/zinc/49/41/34/357494134.db2.gz BOZOHZZVFIBBPB-LPEHRKFASA-N 2 0 295.305 -0.040 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCC1([NH3+])CCOCC1 ZINC000638540878 357494289 /nfs/dbraw/zinc/49/42/89/357494289.db2.gz MXBROOXTTGHANX-SNVBAGLBSA-N 2 0 255.362 -0.001 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH3+])CCOCC1 ZINC000638541769 357494342 /nfs/dbraw/zinc/49/43/42/357494342.db2.gz WYEDXASBASFFKU-QWRGUYRKSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[C@H]1C(F)(F)F ZINC000638553591 357494426 /nfs/dbraw/zinc/49/44/26/357494426.db2.gz BOZOHZZVFIBBPB-IVZWLZJFSA-N 2 0 295.305 -0.040 20 0 CBADRP C[C@H]1CN(C)C[C@H](C(=O)NCC2([NH3+])CCOCC2)O1 ZINC000638541534 357494494 /nfs/dbraw/zinc/49/44/94/357494494.db2.gz IRZMAJQBYSMARN-WDEREUQCSA-N 2 0 271.361 -0.670 20 0 CBADRP [NH3+]CC1(NC(=O)[C@H]2C[NH2+]CCC2(F)F)CCOCC1 ZINC000638634925 357513495 /nfs/dbraw/zinc/51/34/95/357513495.db2.gz VDUCJNHYDMGXEW-SECBINFHSA-N 2 0 277.315 -0.145 20 0 CBADRP C[C@@H]1[C@H](C(=O)NC2(C[NH3+])CCOCC2)CC[N@@H+]1C ZINC000638632149 357513699 /nfs/dbraw/zinc/51/36/99/357513699.db2.gz SXXURHBKNHJEDB-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000638633083 357513812 /nfs/dbraw/zinc/51/38/12/357513812.db2.gz WAIDBKGTGAYASP-LLVKDONJSA-N 2 0 255.362 -0.048 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C[NH2+]1 ZINC000638641497 357514579 /nfs/dbraw/zinc/51/45/79/357514579.db2.gz DADRUYNQSAYGIA-BLFANLJRSA-N 2 0 253.346 -0.521 20 0 CBADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[NH2+]1 ZINC000638641639 357514710 /nfs/dbraw/zinc/51/47/10/357514710.db2.gz GDZCDAWONYHGNM-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)C[NH2+]1 ZINC000638638908 357514892 /nfs/dbraw/zinc/51/48/92/357514892.db2.gz HBLWRKCCZPXFSC-NQBHXWOUSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@@H]1CC[C@@H](NC(=O)[C@]2(C[NH3+])CCCOC2)C[NH2+]1 ZINC000638638910 357515057 /nfs/dbraw/zinc/51/50/57/357515057.db2.gz HBLWRKCCZPXFSC-WZRBSPASSA-N 2 0 255.362 -0.001 20 0 CBADRP CN(CCOCC[NH3+])C(=O)COC1CCC([NH3+])CC1 ZINC000638675494 357519698 /nfs/dbraw/zinc/51/96/98/357519698.db2.gz UBQGDXGUUGPROM-UHFFFAOYSA-N 2 0 273.377 -0.293 20 0 CBADRP COCC1(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC[NH2+]CC1 ZINC000638768200 357527604 /nfs/dbraw/zinc/52/76/04/357527604.db2.gz SLUQYKDOXQMOHE-WDEREUQCSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000638765848 357527728 /nfs/dbraw/zinc/52/77/28/357527728.db2.gz PZVXDIMLTBGJDS-GARJFASQSA-N 2 0 278.360 -0.317 20 0 CBADRP O=C([C@H]1CC[NH2+]1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638784723 357528252 /nfs/dbraw/zinc/52/82/52/357528252.db2.gz VVGCQGMSHSGOPO-CHWSQXEVSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000638791787 357529313 /nfs/dbraw/zinc/52/93/13/357529313.db2.gz RTJHPQUMIYQDHB-NEPJUHHUSA-N 2 0 263.345 -0.101 20 0 CBADRP [NH3+][C@@H]1CCCCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000638820059 357534156 /nfs/dbraw/zinc/53/41/56/357534156.db2.gz PMBJCNSJAHIPJH-VXGBXAGGSA-N 2 0 282.388 -0.416 20 0 CBADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCNC(=O)C2)CC1 ZINC000638847500 357536580 /nfs/dbraw/zinc/53/65/80/357536580.db2.gz AFMVWKSTOCISHV-CYBMUJFWSA-N 2 0 268.405 -0.118 20 0 CBADRP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1C[NH+]2CCC1CC2 ZINC000638853498 357538468 /nfs/dbraw/zinc/53/84/68/357538468.db2.gz HPGCYWFKLNODHV-QWHCGFSZSA-N 2 0 294.399 -0.593 20 0 CBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)CC(C)(C)[NH3+])CC2)C1=O ZINC000638857148 357538614 /nfs/dbraw/zinc/53/86/14/357538614.db2.gz ZQCIAGCMPKGCNG-GFCCVEGCSA-N 2 0 296.415 -0.075 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000638855576 357538711 /nfs/dbraw/zinc/53/87/11/357538711.db2.gz FDQONSMEZRQKBW-QWHCGFSZSA-N 2 0 296.415 -0.204 20 0 CBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3C[C@H]([NH3+])C3)CC2)C1=O ZINC000638855923 357538929 /nfs/dbraw/zinc/53/89/29/357538929.db2.gz IPZTXMOYVGYZJZ-NQBHXWOUSA-N 2 0 294.399 -0.465 20 0 CBADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cnc(N)nc2N)CC1 ZINC000638876275 357539799 /nfs/dbraw/zinc/53/97/99/357539799.db2.gz IOJNQMNGCMNNMZ-UHFFFAOYSA-N 2 0 293.419 -0.583 20 0 CBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638918289 357543387 /nfs/dbraw/zinc/54/33/87/357543387.db2.gz OVAPPDYKMTYXKX-RYUDHWBXSA-N 2 0 267.373 -0.083 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000638926222 357544343 /nfs/dbraw/zinc/54/43/43/357544343.db2.gz WYGMTNKPXSXPKM-UPJWGTAASA-N 2 0 294.399 -0.641 20 0 CBADRP COCCOCC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638927374 357545260 /nfs/dbraw/zinc/54/52/60/357545260.db2.gz XVEHIDUFUPXSCF-OKILXGFUSA-N 2 0 299.415 -0.066 20 0 CBADRP COC[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC000638940684 357546099 /nfs/dbraw/zinc/54/60/99/357546099.db2.gz QMUCKCQXKJAXQH-LOWVWBTDSA-N 2 0 253.346 -0.425 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000638938031 357546137 /nfs/dbraw/zinc/54/61/37/357546137.db2.gz VYZRFGRBXLYLLC-UTUOFQBUSA-N 2 0 282.388 -0.655 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000638936033 357546156 /nfs/dbraw/zinc/54/61/56/357546156.db2.gz PGVMFTVZSCOMEK-RYUDHWBXSA-N 2 0 254.378 -0.428 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000638938026 357546198 /nfs/dbraw/zinc/54/61/98/357546198.db2.gz VYZRFGRBXLYLLC-GRYCIOLGSA-N 2 0 282.388 -0.655 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638949777 357547055 /nfs/dbraw/zinc/54/70/55/357547055.db2.gz DGHIVGXXEDTMSC-HAQNSBGRSA-N 2 0 254.378 -0.475 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638984778 357548705 /nfs/dbraw/zinc/54/87/05/357548705.db2.gz RDNGOIPZNVWSNO-GFCCVEGCSA-N 3 0 293.371 -0.207 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639020175 357553064 /nfs/dbraw/zinc/55/30/64/357553064.db2.gz DHPIFDLQDGNBMD-OBJOEFQTSA-N 2 0 296.415 -0.314 20 0 CBADRP CC(C)[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC[N@@H+]1C ZINC000639018293 357553309 /nfs/dbraw/zinc/55/33/09/357553309.db2.gz DFUKDWOIRXHBRZ-QJPTWQEYSA-N 2 0 255.362 -0.099 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639022849 357553858 /nfs/dbraw/zinc/55/38/58/357553858.db2.gz RBUKIRYYYQEGSS-QWHCGFSZSA-N 2 0 266.389 -0.508 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639026495 357553977 /nfs/dbraw/zinc/55/39/77/357553977.db2.gz GCPYHXNMNCZIBC-TUAOUCFPSA-N 2 0 253.346 -0.425 20 0 CBADRP COC[C@H](O)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639144411 357559390 /nfs/dbraw/zinc/55/93/90/357559390.db2.gz XNUDUCVIVRSBNJ-GFCCVEGCSA-N 2 0 260.378 -0.181 20 0 CBADRP CNS(=O)(=O)CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755427 357594854 /nfs/dbraw/zinc/59/48/54/357594854.db2.gz KWBQBRVDJHVORQ-UHFFFAOYSA-N 2 0 275.418 -0.047 20 0 CBADRP C[NH+]1CCC2(CC[N@H+](CC(=O)N3CCNC(=O)C3)C2)CC1 ZINC000639759939 357594889 /nfs/dbraw/zinc/59/48/89/357594889.db2.gz OJZZSKULMSUIMR-UHFFFAOYSA-N 2 0 294.399 -0.638 20 0 CBADRP CN(C)C(=O)CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766928 357596745 /nfs/dbraw/zinc/59/67/45/357596745.db2.gz PSVSHOJJWDGGBN-CYBMUJFWSA-N 2 0 257.378 -0.147 20 0 CBADRP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC[C@@H]2CCNC2=O)C1 ZINC000639769280 357597611 /nfs/dbraw/zinc/59/76/11/357597611.db2.gz XHWBTFOHPXVOKT-JSGCOSHPSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639769334 357597688 /nfs/dbraw/zinc/59/76/88/357597688.db2.gz XVWDDEFJZLPCGR-ZIAGYGMSSA-N 2 0 273.421 -0.313 20 0 CBADRP CC[C@@H](C(=O)N[C@@H](CO)C[NH+]1CCCC1)[NH+](C)C ZINC000640323197 357645101 /nfs/dbraw/zinc/64/51/01/357645101.db2.gz KAWOTVOQHRGCCC-NEPJUHHUSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000641493507 357713359 /nfs/dbraw/zinc/71/33/59/357713359.db2.gz NUHVWTZDYSEJQB-MNOVXSKESA-N 2 0 272.393 -0.180 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)Cn1cc(CC[NH+](C)C)nn1 ZINC000641222369 357681304 /nfs/dbraw/zinc/68/13/04/357681304.db2.gz KFUVACGCHXXUMO-CYBMUJFWSA-N 2 0 285.392 -0.679 20 0 CBADRP C[N@H+](C[C@H](O)Cn1cc(C[C@H]2CC[NH2+]C2)nn1)C1CC1 ZINC000641220889 357681931 /nfs/dbraw/zinc/68/19/31/357681931.db2.gz CPHOUCSXMXKLPH-RISCZKNCSA-N 2 0 279.388 -0.115 20 0 CBADRP C[C@H]([NH3+])CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000641425257 357704790 /nfs/dbraw/zinc/70/47/90/357704790.db2.gz NPNVOXKRRNZFON-LBPRGKRZSA-N 2 0 297.403 -0.717 20 0 CBADRP NS(=O)(=O)CCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000641797658 357743326 /nfs/dbraw/zinc/74/33/26/357743326.db2.gz FEHKFJZKKUWZCU-LBPRGKRZSA-N 2 0 275.418 -0.014 20 0 CBADRP Cn1cncc1CC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000641796983 357743359 /nfs/dbraw/zinc/74/33/59/357743359.db2.gz ONZFBYZEYQTTOY-GFCCVEGCSA-N 2 0 279.388 -0.251 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCCC(C)(C)[NH3+] ZINC000641805309 357744196 /nfs/dbraw/zinc/74/41/96/357744196.db2.gz ARCFZVMQZCPCQP-UHFFFAOYSA-N 2 0 278.422 -0.368 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000641944834 357749116 /nfs/dbraw/zinc/74/91/16/357749116.db2.gz NXBMXTAONGCGLD-LLVKDONJSA-N 2 0 272.393 -0.178 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000642084412 357749443 /nfs/dbraw/zinc/74/94/43/357749443.db2.gz VNKJLANGNGNITQ-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000642080473 357750006 /nfs/dbraw/zinc/75/00/06/357750006.db2.gz ZYRKFKDFSIZMGU-ZJUUUORDSA-N 2 0 298.412 -0.070 20 0 CBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642329785 357753296 /nfs/dbraw/zinc/75/32/96/357753296.db2.gz SHGGZVWCAMBYCW-SDDRHHMPSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000642329786 357753320 /nfs/dbraw/zinc/75/33/20/357753320.db2.gz SHGGZVWCAMBYCW-SRVKXCTJSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000642439370 357754010 /nfs/dbraw/zinc/75/40/10/357754010.db2.gz CZYVPHKLXKNOGA-LBPRGKRZSA-N 2 0 296.415 -0.025 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000642439383 357754072 /nfs/dbraw/zinc/75/40/72/357754072.db2.gz DJIZJGFLFCOHAK-QWHCGFSZSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000642439708 357755201 /nfs/dbraw/zinc/75/52/01/357755201.db2.gz NRZATDYCVAHVHY-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000642440161 357755380 /nfs/dbraw/zinc/75/53/80/357755380.db2.gz XNZCFKMEGPPLNH-SNVBAGLBSA-N 2 0 268.361 -0.935 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000642440042 357755495 /nfs/dbraw/zinc/75/54/95/357755495.db2.gz WGQAIRUNCBSQAI-CHWSQXEVSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000642439768 357755583 /nfs/dbraw/zinc/75/55/83/357755583.db2.gz OQWXXIDJQHDBEX-NEPJUHHUSA-N 2 0 284.404 -0.312 20 0 CBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000642440014 357755725 /nfs/dbraw/zinc/75/57/25/357755725.db2.gz VSROLPMGRJAMHV-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642537917 357756602 /nfs/dbraw/zinc/75/66/02/357756602.db2.gz ANHAOYTUMDPNMA-AGIUHOORSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C[N@@H+]1C1CC1 ZINC000642718191 357758594 /nfs/dbraw/zinc/75/85/94/357758594.db2.gz RJJPASJRXFXNBI-NQBHXWOUSA-N 2 0 294.399 -0.323 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000642718197 357758904 /nfs/dbraw/zinc/75/89/04/357758904.db2.gz RTXTUUTUGQHASU-TUAOUCFPSA-N 2 0 294.399 -0.452 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH2+]C2CC2)C[N@@H+]1C1CC1 ZINC000642718120 357758984 /nfs/dbraw/zinc/75/89/84/357758984.db2.gz IUGOQUNCRGIRAZ-CMPLNLGQSA-N 2 0 294.399 -0.404 20 0 CBADRP C[C@H](NC(=O)C(=O)NCC[NH2+]C1CC1)C(C)(C)C[NH+](C)C ZINC000642762440 357761154 /nfs/dbraw/zinc/76/11/54/357761154.db2.gz SVEOXXGSSIUHOC-NSHDSACASA-N 2 0 298.431 -0.053 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642756050 357761570 /nfs/dbraw/zinc/76/15/70/357761570.db2.gz SKMUNPCEKNVGRA-NSHDSACASA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC[NH2+]1 ZINC000642785865 357762460 /nfs/dbraw/zinc/76/24/60/357762460.db2.gz OLRKOBNEAAFYMP-YPMHNXCESA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000642809769 357763661 /nfs/dbraw/zinc/76/36/61/357763661.db2.gz OUAWDVMRZUTQAU-GHMZBOCLSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642810414 357763985 /nfs/dbraw/zinc/76/39/85/357763985.db2.gz AKRPRTSDQSBOMF-NXEZZACHSA-N 2 0 258.366 -0.704 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000642879086 357764859 /nfs/dbraw/zinc/76/48/59/357764859.db2.gz IFSGKUWUQJAGIN-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642905076 357766725 /nfs/dbraw/zinc/76/67/25/357766725.db2.gz FSMWEGUPZAVLRS-CYBMUJFWSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000642909241 357767687 /nfs/dbraw/zinc/76/76/87/357767687.db2.gz JAFIDWWOZVJVLF-LLVKDONJSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000642909257 357767697 /nfs/dbraw/zinc/76/76/97/357767697.db2.gz JJNZGWQGQDQQFB-QWHCGFSZSA-N 2 0 296.415 -0.073 20 0 CBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642909303 357767761 /nfs/dbraw/zinc/76/77/61/357767761.db2.gz KHIKPTRSPWYJAB-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000642909929 357768530 /nfs/dbraw/zinc/76/85/30/357768530.db2.gz XPUIQYSMCODDLE-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP O=C(NCC[NH2+]C1CC1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000642918434 357770217 /nfs/dbraw/zinc/77/02/17/357770217.db2.gz UUBFYXYHHYTARH-ZDUSSCGKSA-N 2 0 294.399 -0.449 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919747 357770248 /nfs/dbraw/zinc/77/02/48/357770248.db2.gz FMYFWMXWVJYONF-LBPRGKRZSA-N 2 0 282.388 -0.545 20 0 CBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918784 357770401 /nfs/dbraw/zinc/77/04/01/357770401.db2.gz BWMLACIXKOPNPU-UHFFFAOYSA-N 2 0 296.415 -0.203 20 0 CBADRP [NH3+]C[C@H](NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000642960478 357773496 /nfs/dbraw/zinc/77/34/96/357773496.db2.gz WTCBRJPZPKZPOS-NEPJUHHUSA-N 2 0 280.372 -0.854 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000642969730 357773515 /nfs/dbraw/zinc/77/35/15/357773515.db2.gz SCFSDMUMWLMUIU-OLZOCXBDSA-N 2 0 296.415 -0.170 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000642974867 357773543 /nfs/dbraw/zinc/77/35/43/357773543.db2.gz FYUIKDDSIOAIKM-LLVKDONJSA-N 2 0 284.404 -0.170 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000642956706 357773787 /nfs/dbraw/zinc/77/37/87/357773787.db2.gz NHJZNAJNCJZBJE-RWMBFGLXSA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H]1CCCN(C(=O)C(=O)N(C)CCC[NH+](C)C)[C@H]1C[NH3+] ZINC000643593264 357791272 /nfs/dbraw/zinc/79/12/72/357791272.db2.gz UCGJJUQLAFLICS-STQMWFEESA-N 2 0 298.431 -0.018 20 0 CBADRP C[NH+](C)[C@H]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000643509415 357787023 /nfs/dbraw/zinc/78/70/23/357787023.db2.gz SBZCODXELJBHAV-XQQFMLRXSA-N 2 0 294.399 -0.498 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000643553557 357788416 /nfs/dbraw/zinc/78/84/16/357788416.db2.gz HMAFMRXSHPIHNE-OLZOCXBDSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H]1C[C@H](C[N@H+](C)CC(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC000414651144 291121316 /nfs/dbraw/zinc/12/13/16/291121316.db2.gz FFELTSQBZFVGDT-QWHCGFSZSA-N 3 0 268.405 -0.262 20 0 CBADRP CNC(=O)C[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000361109522 283328508 /nfs/dbraw/zinc/32/85/08/283328508.db2.gz NEXBGFKQKBOLFS-CHWSQXEVSA-N 2 0 270.421 -0.016 20 0 CBADRP CNC(=O)C[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000361208237 283336150 /nfs/dbraw/zinc/33/61/50/283336150.db2.gz HTVCVPVTDVDPBT-RYUDHWBXSA-N 2 0 256.394 -0.264 20 0 CBADRP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074218 283359885 /nfs/dbraw/zinc/35/98/85/283359885.db2.gz SARHKQMKJTWZIQ-NXEZZACHSA-N 2 0 256.350 -0.109 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000341620868 216039278 /nfs/dbraw/zinc/03/92/78/216039278.db2.gz VBJLKYQQGBLHKZ-KGLIPLIRSA-N 2 0 299.415 -0.208 20 0 CBADRP C[C@H](C[NH2+][C@@H](C)CS(C)(=O)=O)CN1CC[NH+](C)CC1 ZINC000341710598 216075109 /nfs/dbraw/zinc/07/51/09/216075109.db2.gz VDMUKTJMDBTDSG-OLZOCXBDSA-N 2 0 291.461 -0.107 20 0 CBADRP CC[N@@H+]1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)[C@H](C)C1 ZINC000341777020 216100033 /nfs/dbraw/zinc/10/00/33/216100033.db2.gz OYZKQAWYVLHGIP-KGLIPLIRSA-N 2 0 280.416 -0.071 20 0 CBADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)CC(N)=O)CC1 ZINC000341896246 216141959 /nfs/dbraw/zinc/14/19/59/216141959.db2.gz IZAXAYLQPCZDAC-NEPJUHHUSA-N 2 0 256.394 -0.134 20 0 CBADRP O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000515299891 296015474 /nfs/dbraw/zinc/01/54/74/296015474.db2.gz OFVGLLZVZBEZMR-STQMWFEESA-N 2 0 294.399 -0.591 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC([NH+](C)C)C2)CC1=O ZINC000342130311 216230144 /nfs/dbraw/zinc/23/01/44/216230144.db2.gz NWEPLGIORDZKEG-LLVKDONJSA-N 2 0 282.388 -0.831 20 0 CBADRP C[C@H]1[C@@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)CCC[N@@H+]1C ZINC000343294739 291284980 /nfs/dbraw/zinc/28/49/80/291284980.db2.gz JOSFMTYKMVODLU-AAEUAGOBSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000342519961 216382538 /nfs/dbraw/zinc/38/25/38/216382538.db2.gz ZSIXJDVWWLSYEP-MCIONIFRSA-N 2 0 282.432 -0.064 20 0 CBADRP CCC[C@H]([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000367994115 283887263 /nfs/dbraw/zinc/88/72/63/283887263.db2.gz PQTHXUJHJAQJCI-RYUDHWBXSA-N 2 0 254.378 -0.380 20 0 CBADRP C[C@@H](NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)[C@H](C)[NH3+] ZINC000424169996 296108446 /nfs/dbraw/zinc/10/84/46/296108446.db2.gz KAICWALTQPXDKB-IVZWLZJFSA-N 2 0 266.349 -0.332 20 0 CBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000424195482 296137631 /nfs/dbraw/zinc/13/76/31/296137631.db2.gz SWBJFTYAMAFDOB-FRRDWIJNSA-N 2 0 267.373 -0.177 20 0 CBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365329949 296147877 /nfs/dbraw/zinc/14/78/77/296147877.db2.gz JUKACSPMMWDUIQ-YHQUGGNUSA-N 2 0 279.384 -0.348 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CC[NH2+]1 ZINC000331885784 204262428 /nfs/dbraw/zinc/26/24/28/204262428.db2.gz OOUAHIIBJKHBCE-LBPRGKRZSA-N 2 0 296.415 -0.251 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NCC(C)(C)C[NH+](C)C ZINC000336826501 213721572 /nfs/dbraw/zinc/72/15/72/213721572.db2.gz QDBBMNKPASQKDK-GFCCVEGCSA-N 2 0 286.420 -0.210 20 0 CBADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332577638 204811141 /nfs/dbraw/zinc/81/11/41/204811141.db2.gz ADLJBUVWWGIKGP-OLZOCXBDSA-N 2 0 294.399 -0.367 20 0 CBADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000344303844 217140941 /nfs/dbraw/zinc/14/09/41/217140941.db2.gz CMOZOPWLCUBHFD-HZPDHXFCSA-N 2 0 298.475 -0.084 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000020521322 372757372 /nfs/dbraw/zinc/75/73/72/372757372.db2.gz GWTOULBEDIKDCG-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000068807834 372765732 /nfs/dbraw/zinc/76/57/32/372765732.db2.gz YYEKGFDHKNOFEC-VXGBXAGGSA-N 2 0 256.394 -0.278 20 0 CBADRP CCCC[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(N)=O ZINC000053298985 372763462 /nfs/dbraw/zinc/76/34/62/372763462.db2.gz KUJQJYFQYOHWMV-UHFFFAOYSA-N 2 0 270.377 -0.604 20 0 CBADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NC(N)=O)CC1 ZINC000105862080 372783014 /nfs/dbraw/zinc/78/30/14/372783014.db2.gz YXKLOUSAJYYQQD-JTQLQIEISA-N 2 0 286.376 -0.794 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000353428764 220078402 /nfs/dbraw/zinc/07/84/02/220078402.db2.gz SUTQDMPDUPFDGN-KBPBESRZSA-N 2 0 280.416 -0.308 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000353436388 220080065 /nfs/dbraw/zinc/08/00/65/220080065.db2.gz BEZUUWXNSPDSON-AAEUAGOBSA-N 2 0 285.388 -0.328 20 0 CBADRP CO[C@H](C[NH3+])C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000353436390 220080223 /nfs/dbraw/zinc/08/02/23/220080223.db2.gz BEZUUWXNSPDSON-WCQYABFASA-N 2 0 285.388 -0.328 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000167213575 372826075 /nfs/dbraw/zinc/82/60/75/372826075.db2.gz FPJYWWGGMQLOMN-STQMWFEESA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CC(=O)N1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000344628748 217254183 /nfs/dbraw/zinc/25/41/83/217254183.db2.gz ARGFGJBPHUOZJW-UHFFFAOYSA-N 2 0 296.415 -0.439 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000344684623 217274447 /nfs/dbraw/zinc/27/44/47/217274447.db2.gz WBNZSXHEPNUPCQ-WCQYABFASA-N 2 0 289.445 -0.148 20 0 CBADRP Cn1ncc2c1nc(N1CCN(c3ncc[nH]3)CC1)nc2N ZINC000290920134 372959481 /nfs/dbraw/zinc/95/94/81/372959481.db2.gz IBOJZMVDEYZUMD-UHFFFAOYSA-N 2 0 299.342 -0.005 20 0 CBADRP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000333565175 373011407 /nfs/dbraw/zinc/01/14/07/373011407.db2.gz LVSUFIOFHQXKPW-QWRGUYRKSA-N 2 0 255.362 -0.131 20 0 CBADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000332578857 373005536 /nfs/dbraw/zinc/00/55/36/373005536.db2.gz AMSGJANYSAUXOS-XQQFMLRXSA-N 2 0 294.399 -0.369 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000333424640 373009602 /nfs/dbraw/zinc/00/96/02/373009602.db2.gz SZVDJJCYLWXILA-RAIGVLPGSA-N 2 0 282.388 -0.162 20 0 CBADRP CO[C@H](C[NH3+])C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000353535361 220143247 /nfs/dbraw/zinc/14/32/47/220143247.db2.gz VVQSLMDPVRLGBT-IJLUTSLNSA-N 2 0 273.377 -0.424 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000333489722 205367873 /nfs/dbraw/zinc/36/78/73/205367873.db2.gz DCGPISAXVUDIAN-AGIUHOORSA-N 2 0 284.404 -0.165 20 0 CBADRP CN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCC[NH+]1C ZINC000333508491 205387976 /nfs/dbraw/zinc/38/79/76/205387976.db2.gz XFQQLTOJLXGDLE-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000342374998 373045844 /nfs/dbraw/zinc/04/58/44/373045844.db2.gz OFICRJFOHLLHPJ-NEPJUHHUSA-N 2 0 257.378 -0.122 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351558009 373097905 /nfs/dbraw/zinc/09/79/05/373097905.db2.gz RFLSHULCVOGXRE-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCN(CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000351862122 373100269 /nfs/dbraw/zinc/10/02/69/373100269.db2.gz NGXNGCREZDAQPM-DCAQKATOSA-N 2 0 270.377 -0.752 20 0 CBADRP C[C@@H](CNC(=O)C[C@@H]1COCC[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000357249349 373168161 /nfs/dbraw/zinc/16/81/61/373168161.db2.gz SEIMIBBCWPACAT-UONOGXRCSA-N 2 0 298.431 -0.635 20 0 CBADRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H]1COC[C@@H]1O ZINC000361329378 373276324 /nfs/dbraw/zinc/27/63/24/373276324.db2.gz ZXGYYUXFXMRSSW-OLZOCXBDSA-N 2 0 257.378 -0.685 20 0 CBADRP CCC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000353585569 220173321 /nfs/dbraw/zinc/17/33/21/220173321.db2.gz AOWSECBCHCEWIW-MNOVXSKESA-N 2 0 270.377 -0.430 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000353585588 220173497 /nfs/dbraw/zinc/17/34/97/220173497.db2.gz ATVLGOJNTHFBJN-WDEREUQCSA-N 2 0 270.377 -0.574 20 0 CBADRP C[NH+](C)CC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000361481485 373298861 /nfs/dbraw/zinc/29/88/61/373298861.db2.gz NLIQSFPNNDYNIM-UHFFFAOYSA-N 2 0 256.394 -0.310 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)c2ccnc(C[NH3+])c2)CC1 ZINC000361624692 373318406 /nfs/dbraw/zinc/31/84/06/373318406.db2.gz ANHRAJJBTZQPLH-UHFFFAOYSA-N 2 0 291.399 -0.092 20 0 CBADRP C[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CCC[NH2+]C1 ZINC000353592950 220178820 /nfs/dbraw/zinc/17/88/20/220178820.db2.gz UNPSGXNZANBRER-IUODEOHRSA-N 2 0 296.415 -0.168 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000362836520 373452906 /nfs/dbraw/zinc/45/29/06/373452906.db2.gz HKXXRPKAMMPEOS-AGIUHOORSA-N 2 0 269.389 -0.027 20 0 CBADRP O=C(NCC[NH+]1CCCCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000362685648 373436227 /nfs/dbraw/zinc/43/62/27/373436227.db2.gz MJTKUQODXJVAPD-AWEZNQCLSA-N 2 0 280.416 -0.022 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000398997227 373583799 /nfs/dbraw/zinc/58/37/99/373583799.db2.gz QBJTUDSRQQTMLV-CYBMUJFWSA-N 2 0 268.405 -0.133 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CCO3)C[C@@H]21 ZINC000374594753 373564398 /nfs/dbraw/zinc/56/43/98/373564398.db2.gz NLBMHFYBILUWFG-WRWGMCAJSA-N 2 0 253.346 -0.439 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)O1 ZINC000375707522 373567094 /nfs/dbraw/zinc/56/70/94/373567094.db2.gz NHOYLDJZEFOEJN-USZNOCQGSA-N 2 0 253.346 -0.297 20 0 CBADRP CC(C)C[C@@H]([NH3+])CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000414662176 373624676 /nfs/dbraw/zinc/62/46/76/373624676.db2.gz ZANNYVLSUCWFMY-GFCCVEGCSA-N 2 0 256.394 -0.277 20 0 CBADRP [NH3+]CC1(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000414661696 373625827 /nfs/dbraw/zinc/62/58/27/373625827.db2.gz XQTPQVOPZCRKBY-ZDUSSCGKSA-N 3 0 280.416 -0.131 20 0 CBADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000417807771 373628879 /nfs/dbraw/zinc/62/88/79/373628879.db2.gz KLZIGQXJUYUEEJ-WDEREUQCSA-N 2 0 255.362 -0.049 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)NC[C@@H](C)C[NH3+] ZINC000417098259 373629501 /nfs/dbraw/zinc/62/95/01/373629501.db2.gz YAPZNUKUTRANID-NSHDSACASA-N 2 0 260.382 -0.151 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417437002 373629820 /nfs/dbraw/zinc/62/98/20/373629820.db2.gz GAUYMIZFVYIXDL-STQMWFEESA-N 2 0 284.404 -0.185 20 0 CBADRP C[C@H]1CCN(C(=O)NCCN2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000418296245 373631318 /nfs/dbraw/zinc/63/13/18/373631318.db2.gz JNSFYDKTUIKCKE-STQMWFEESA-N 2 0 283.420 -0.340 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418751952 373634735 /nfs/dbraw/zinc/63/47/35/373634735.db2.gz FZZRSBZZKGPMRW-SNVBAGLBSA-N 2 0 294.346 -0.403 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000418991346 373635785 /nfs/dbraw/zinc/63/57/85/373635785.db2.gz MOQIIYJRBRWHBN-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@H]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)C[C@@H]1C[NH3+] ZINC000419111744 373635973 /nfs/dbraw/zinc/63/59/73/373635973.db2.gz UNLUOZBAQYQGPN-RYUDHWBXSA-N 2 0 296.415 -0.360 20 0 CBADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419111651 373636154 /nfs/dbraw/zinc/63/61/54/373636154.db2.gz UGYDVRXLCSHCMT-DGCLKSJQSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000419403014 373639049 /nfs/dbraw/zinc/63/90/49/373639049.db2.gz CZCLNDPKKYNWTD-DGCLKSJQSA-N 2 0 296.415 -0.312 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C)C1CC1 ZINC000419520980 373639201 /nfs/dbraw/zinc/63/92/01/373639201.db2.gz JHSYSXGDIGVHAS-RYUDHWBXSA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)CCC[N@@H+]1C ZINC000419542367 373639247 /nfs/dbraw/zinc/63/92/47/373639247.db2.gz FJPSPHNNGNKUFQ-WOPDTQHZSA-N 2 0 282.388 -0.547 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)CCC[N@@H+]1C ZINC000419562607 373641854 /nfs/dbraw/zinc/64/18/54/373641854.db2.gz VIRYKIAQZHASQR-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1)C(C)C ZINC000419880204 373643619 /nfs/dbraw/zinc/64/36/19/373643619.db2.gz KLYGJOJOFDBIOZ-NSHDSACASA-N 2 0 270.377 -0.689 20 0 CBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419957446 373643800 /nfs/dbraw/zinc/64/38/00/373643800.db2.gz PJQCDAQRLCUCQO-XQQFMLRXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000423625002 373659951 /nfs/dbraw/zinc/65/99/51/373659951.db2.gz CIWNPKANEDCIMF-WUHRBBMRSA-N 2 0 296.415 -0.267 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)COC1C[NH2+]C1 ZINC000423744911 373662652 /nfs/dbraw/zinc/66/26/52/373662652.db2.gz OUHLJNJNCTYCPG-UHFFFAOYSA-N 2 0 259.350 -0.989 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424459680 373665880 /nfs/dbraw/zinc/66/58/80/373665880.db2.gz HDUSYEUYFQCHBQ-JHJVBQTASA-N 2 0 283.420 -0.199 20 0 CBADRP C[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)[NH+](C)C ZINC000424157187 373666179 /nfs/dbraw/zinc/66/61/79/373666179.db2.gz PNNWGKYQZVBTMG-QWRGUYRKSA-N 2 0 280.376 -0.118 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000431004162 373675251 /nfs/dbraw/zinc/67/52/51/373675251.db2.gz INEGPWUNWICKKJ-CHWSQXEVSA-N 2 0 284.404 -0.883 20 0 CBADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000442757399 373681276 /nfs/dbraw/zinc/68/12/76/373681276.db2.gz GQQZGSITUCUOLP-OBJOEFQTSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)[NH+](C)C ZINC000459035162 373694945 /nfs/dbraw/zinc/69/49/45/373694945.db2.gz DKQJWWORMRVHOG-RYUDHWBXSA-N 2 0 272.393 -0.092 20 0 CBADRP C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[C@H](C)[NH3+] ZINC000493766426 373729356 /nfs/dbraw/zinc/72/93/56/373729356.db2.gz JIZUTZMODSVVBV-VWYCJHECSA-N 2 0 270.377 -0.574 20 0 CBADRP CN(CCNC(=O)/C=C\C[NH+](C)C)C(=O)/C=C\C[NH+](C)C ZINC000493781345 373729397 /nfs/dbraw/zinc/72/93/97/373729397.db2.gz FGYMPHDIMQWMPU-VRHVFUOLSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+]1CCC(C[NH2+]CCC(N)=O)(N2CCOCC2)CC1 ZINC000514669161 373759031 /nfs/dbraw/zinc/75/90/31/373759031.db2.gz VFVAUXZZTIQORV-UHFFFAOYSA-N 2 0 284.404 -0.752 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000514724595 373760965 /nfs/dbraw/zinc/76/09/65/373760965.db2.gz FLAVDGXATPRKSD-JTQLQIEISA-N 2 0 268.365 -0.303 20 0 CBADRP [NH3+]CCCN(CC1CCCC1)C(=O)CNC(=O)C[NH3+] ZINC000514725817 373761086 /nfs/dbraw/zinc/76/10/86/373761086.db2.gz SOPYDCUEMBATJJ-UHFFFAOYSA-N 2 0 270.377 -0.571 20 0 CBADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]CCC(N)=O)CC1 ZINC000516176011 373805044 /nfs/dbraw/zinc/80/50/44/373805044.db2.gz XSKDOEFDZRQFEG-LBPRGKRZSA-N 2 0 256.394 -0.275 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC[NH2+]C1 ZINC000516286393 373809284 /nfs/dbraw/zinc/80/92/84/373809284.db2.gz OLBWRSMKDVZMEV-DYEKYZERSA-N 2 0 267.373 -0.177 20 0 CBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000516350489 373809899 /nfs/dbraw/zinc/80/98/99/373809899.db2.gz MIBDCQJFQYDQOH-AGIUHOORSA-N 2 0 285.388 -0.912 20 0 CBADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000518753892 373821211 /nfs/dbraw/zinc/82/12/11/373821211.db2.gz UAUPDAUCLBJVSG-CHWSQXEVSA-N 2 0 294.399 -0.367 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000519771873 373823638 /nfs/dbraw/zinc/82/36/38/373823638.db2.gz JPVDVQBEAOVCTO-CHWSQXEVSA-N 2 0 268.405 -0.133 20 0 CBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000520226252 373829700 /nfs/dbraw/zinc/82/97/00/373829700.db2.gz FGMPSEUVZQOQEX-MNOVXSKESA-N 2 0 272.393 -0.132 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000520810287 373834036 /nfs/dbraw/zinc/83/40/36/373834036.db2.gz LKRGLEFMAAWFAO-GUBZILKMSA-N 2 0 257.334 -0.619 20 0 CBADRP COCC[N@H+](C)CCNC(=O)NCC1CC[NH2+]CC1 ZINC000515221322 373778949 /nfs/dbraw/zinc/77/89/49/373778949.db2.gz GTYOSYZLQRFORU-UHFFFAOYSA-N 2 0 272.393 -0.137 20 0 CBADRP CC[C@H](NCC(=O)N1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000515345960 373783787 /nfs/dbraw/zinc/78/37/87/373783787.db2.gz COMMCTWDRVQZHO-RYUDHWBXSA-N 2 0 254.378 -0.462 20 0 CBADRP CN1CCN(C(=O)C2CC[NH+](C3CC3)CC2)[C@@H](C[NH3+])C1 ZINC000515381533 373786180 /nfs/dbraw/zinc/78/61/80/373786180.db2.gz SGMRYLMEOWLXAC-AWEZNQCLSA-N 2 0 280.416 -0.038 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000515380724 373787137 /nfs/dbraw/zinc/78/71/37/373787137.db2.gz FOHUDEQIDIRALM-ZYHUDNBSSA-N 2 0 292.387 -0.161 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000515499784 373788681 /nfs/dbraw/zinc/78/86/81/373788681.db2.gz GUKHOKKKOPLEJG-NSHDSACASA-N 2 0 272.393 -0.360 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000516059078 373801889 /nfs/dbraw/zinc/80/18/89/373801889.db2.gz ZXULFQQVWICYHV-NEPJUHHUSA-N 2 0 283.372 -0.179 20 0 CBADRP C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+]1CC(C)C1 ZINC000521456875 373844931 /nfs/dbraw/zinc/84/49/31/373844931.db2.gz IKQQZTYUEQWSTR-STQMWFEESA-N 2 0 296.415 -0.217 20 0 CBADRP CC[C@@H]1C[N@H+](C)CCN1C[C@H](O)C[NH+](C)CCOC ZINC000521642450 373848901 /nfs/dbraw/zinc/84/89/01/373848901.db2.gz ZIDUCFAZMMSIBL-ZIAGYGMSSA-N 2 0 273.421 -0.049 20 0 CBADRP C[C@@H](CCCC[NH3+])NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000522000234 373855412 /nfs/dbraw/zinc/85/54/12/373855412.db2.gz MTLJIEPMFLRGFL-RYUDHWBXSA-N 2 0 284.404 -0.122 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000574451847 335020705 /nfs/dbraw/zinc/02/07/05/335020705.db2.gz QDJLAQRQWTWSOG-UKRRQHHQSA-N 2 0 288.395 -0.107 20 0 CBADRP O=C(NC[C@H]1CCCC[NH2+]1)NC[C@H]1COCC[NH2+]1 ZINC000529331364 374004023 /nfs/dbraw/zinc/00/40/23/374004023.db2.gz VJMLHXFTMWBLOO-MNOVXSKESA-N 2 0 256.350 -0.584 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CC12CC[NH2+]CC2 ZINC000529338964 374006278 /nfs/dbraw/zinc/00/62/78/374006278.db2.gz BLSXWXRPOJHKIC-MNOVXSKESA-N 2 0 268.361 -0.584 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@@H]1CCC[NH2+]CC1 ZINC000529342587 374008453 /nfs/dbraw/zinc/00/84/53/374008453.db2.gz UXNJHCHRIZBPJF-MNOVXSKESA-N 2 0 256.350 -0.584 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529342807 374009535 /nfs/dbraw/zinc/00/95/35/374009535.db2.gz NIUPMFAZIRWFFP-OUAUKWLOSA-N 2 0 256.350 -0.599 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000529385791 374023955 /nfs/dbraw/zinc/02/39/55/374023955.db2.gz HIGSVKXHDSNPBI-XQQFMLRXSA-N 2 0 282.388 -0.384 20 0 CBADRP C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3COCC[NH2+]3)C2)C1 ZINC000529386320 374024214 /nfs/dbraw/zinc/02/42/14/374024214.db2.gz KXLWEZFOUTURNF-JSGCOSHPSA-N 2 0 282.388 -0.288 20 0 CBADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000528754121 373981486 /nfs/dbraw/zinc/98/14/86/373981486.db2.gz HUXIDFZEQDIOFX-VQJWOFKYSA-N 2 0 285.432 -0.004 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529387257 374024990 /nfs/dbraw/zinc/02/49/90/374024990.db2.gz LCFTYXGJWPPAIX-QWRGUYRKSA-N 2 0 256.350 -0.632 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529388366 374026380 /nfs/dbraw/zinc/02/63/80/374026380.db2.gz NQXLFVXTJWPPDU-VXGBXAGGSA-N 2 0 270.377 -0.384 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)NC[C@H]2COCC[NH2+]2)[C@H]1C ZINC000529388310 374026497 /nfs/dbraw/zinc/02/64/97/374026497.db2.gz NPLQRCVSVQXOBS-DCAQKATOSA-N 2 0 256.350 -0.633 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529388322 374026951 /nfs/dbraw/zinc/02/69/51/374026951.db2.gz NPLQRCVSVQXOBS-HBNTYKKESA-N 2 0 256.350 -0.633 20 0 CBADRP O=C(N1CC[NH2+]CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000530220748 374066994 /nfs/dbraw/zinc/06/69/94/374066994.db2.gz CKQHEWGXMCFIHM-CYBMUJFWSA-N 2 0 282.388 -0.334 20 0 CBADRP CNC(=O)NC[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000530231623 374068806 /nfs/dbraw/zinc/06/88/06/374068806.db2.gz SAEULGGORZCAEA-NWDGAFQWSA-N 2 0 270.377 -0.384 20 0 CBADRP COC[C@H](C)C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530244461 374069203 /nfs/dbraw/zinc/06/92/03/374069203.db2.gz YGTTXKHAWVPBIF-CYBMUJFWSA-N 2 0 284.404 -0.088 20 0 CBADRP NC(=O)NC(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530242886 374069451 /nfs/dbraw/zinc/06/94/51/374069451.db2.gz VOFCEJFYRHFQOO-LLVKDONJSA-N 2 0 284.360 -0.728 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCc1nnc[nH]1 ZINC000532287705 374164371 /nfs/dbraw/zinc/16/43/71/374164371.db2.gz ZWRPQDUBVQJTSE-UHFFFAOYSA-N 2 0 282.392 -0.311 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCN1CCO ZINC000548313334 374192623 /nfs/dbraw/zinc/19/26/23/374192623.db2.gz FETNUSXSIUVVIA-NEPJUHHUSA-N 2 0 255.362 -0.537 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000549992566 374230750 /nfs/dbraw/zinc/23/07/50/374230750.db2.gz DWSDTQJNRHEMKF-UHFFFAOYSA-N 2 0 284.404 -0.393 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)N[C@H](C)C[NH3+])CC1 ZINC000577856040 374343020 /nfs/dbraw/zinc/34/30/20/374343020.db2.gz KIBRBAMTEQDMGQ-SNVBAGLBSA-N 2 0 258.366 -0.256 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC[NH2+]C1 ZINC000583262911 374357369 /nfs/dbraw/zinc/35/73/69/374357369.db2.gz UYEHQAIWQYDPMA-KOLCDFICSA-N 2 0 277.315 -0.274 20 0 CBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)CCOC3C[NH2+]C3)[C@@H]2C1 ZINC000583320412 374361827 /nfs/dbraw/zinc/36/18/27/374361827.db2.gz SJDHNZUCBGZMQR-WCQYABFASA-N 2 0 267.373 -0.083 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000577955504 374345904 /nfs/dbraw/zinc/34/59/04/374345904.db2.gz WATSDRFDFQQDKK-GHMZBOCLSA-N 2 0 271.361 -0.275 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000578069536 374350602 /nfs/dbraw/zinc/35/06/02/374350602.db2.gz IBUXUORHQWSAST-IJLUTSLNSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NC[C@@H]2CCCC[NH2+]2)nn1 ZINC000644080291 374485519 /nfs/dbraw/zinc/48/55/19/374485519.db2.gz HDJWFVJXCGIFTH-JTQLQIEISA-N 2 0 266.349 -0.501 20 0 CBADRP CO[C@@H]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000644106039 374488729 /nfs/dbraw/zinc/48/87/29/374488729.db2.gz JXHHYINJMDBTRQ-YNEHKIRRSA-N 2 0 285.388 -0.280 20 0 CBADRP COC[C@@]1(CNC(=O)[C@H]2[NH2+]CC2(C)C)CCC[NH2+]1 ZINC000644125919 374490300 /nfs/dbraw/zinc/49/03/00/374490300.db2.gz BHGUOCYNVZLBRE-MFKMUULPSA-N 2 0 255.362 -0.131 20 0 CBADRP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000644135830 374492605 /nfs/dbraw/zinc/49/26/05/374492605.db2.gz GNJLPLXZNGPLKC-IRCOFANPSA-N 2 0 255.362 -0.003 20 0 CBADRP CN(CC[NH3+])C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000574518262 335025906 /nfs/dbraw/zinc/02/59/06/335025906.db2.gz ZDERBBLSHAVQPC-GIPNMCIBSA-N 2 0 255.362 -0.064 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H](O)CC(C)(C)C)CC1 ZINC000574519341 335026243 /nfs/dbraw/zinc/02/62/43/335026243.db2.gz ONKCIGMRHYBKBN-UONOGXRCSA-N 2 0 287.448 -0.019 20 0 CBADRP CN(CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C1CC1 ZINC000644527967 374590369 /nfs/dbraw/zinc/59/03/69/374590369.db2.gz HSRDGOLTWMYQGC-AWEZNQCLSA-N 2 0 270.421 -0.722 20 0 CBADRP CC(C)N1C[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1=O ZINC000644536099 374590704 /nfs/dbraw/zinc/59/07/04/374590704.db2.gz XIQBSXZTAMATSR-UONOGXRCSA-N 2 0 298.431 -0.806 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000644543680 374592383 /nfs/dbraw/zinc/59/23/83/374592383.db2.gz MWXBNVXAWNOOMQ-DMDPSCGWSA-N 2 0 255.362 -0.131 20 0 CBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000644561571 374594351 /nfs/dbraw/zinc/59/43/51/374594351.db2.gz AZIXHHITTYGRTH-GXTWGEPZSA-N 2 0 271.405 -0.248 20 0 CBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000644561573 374594476 /nfs/dbraw/zinc/59/44/76/374594476.db2.gz AZIXHHITTYGRTH-JSGCOSHPSA-N 2 0 271.405 -0.248 20 0 CBADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC000644562452 374594507 /nfs/dbraw/zinc/59/45/07/374594507.db2.gz RWVYCGGGHWPIOD-AWEZNQCLSA-N 2 0 295.431 -0.140 20 0 CBADRP COC[C@H](O)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000644562322 374595212 /nfs/dbraw/zinc/59/52/12/374595212.db2.gz JXPVIVIAEWYENN-GFCCVEGCSA-N 2 0 259.394 -0.391 20 0 CBADRP Cn1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000644583195 374599571 /nfs/dbraw/zinc/59/95/71/374599571.db2.gz ZHOFDKNEKVWNLF-AWEZNQCLSA-N 2 0 266.389 -0.277 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCOC1 ZINC000645042841 374642278 /nfs/dbraw/zinc/64/22/78/374642278.db2.gz RTGYOZHUCIAKMY-GFCCVEGCSA-N 2 0 272.393 -0.090 20 0 CBADRP [NH3+]CCOCC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000645127756 374645086 /nfs/dbraw/zinc/64/50/86/374645086.db2.gz KWGGUGBOISPRQQ-LBPRGKRZSA-N 2 0 255.362 -0.048 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000645685045 374692040 /nfs/dbraw/zinc/69/20/40/374692040.db2.gz RJOPFPOOMSQYQN-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP COC1CC[NH+](CCNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000646181139 374751424 /nfs/dbraw/zinc/75/14/24/374751424.db2.gz YPRDIHAHNFNCOZ-UHFFFAOYSA-N 2 0 255.362 -0.177 20 0 CBADRP CC1CC[NH+](CC(=O)N[C@@H](CO)C[NH+](C)C)CC1 ZINC000646210361 374757601 /nfs/dbraw/zinc/75/76/01/374757601.db2.gz ZNJSGMSHSVTLME-GFCCVEGCSA-N 2 0 257.378 -0.243 20 0 CBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000646216645 374759705 /nfs/dbraw/zinc/75/97/05/374759705.db2.gz LDCLIPSRZMRPAJ-ZJUUUORDSA-N 2 0 256.350 -0.504 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)COCC[NH3+] ZINC000645905742 374713491 /nfs/dbraw/zinc/71/34/91/374713491.db2.gz ZUSOPGXNDZPBEJ-NSHDSACASA-N 2 0 259.350 -0.811 20 0 CBADRP [NH3+]CCOCC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000645937068 374714519 /nfs/dbraw/zinc/71/45/19/374714519.db2.gz CCDOMTATDDLMIY-UHFFFAOYSA-N 2 0 285.388 -0.277 20 0 CBADRP CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953292 374716629 /nfs/dbraw/zinc/71/66/29/374716629.db2.gz OAXXBVMMDODZJA-VXGBXAGGSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953154 374717514 /nfs/dbraw/zinc/71/75/14/374717514.db2.gz FLMKBXLPNXJMSQ-CHWSQXEVSA-N 2 0 294.399 -0.545 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953211 374717850 /nfs/dbraw/zinc/71/78/50/374717850.db2.gz IUOQINKEZPRLGR-GFCCVEGCSA-N 2 0 267.373 -0.035 20 0 CBADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000645953477 374718863 /nfs/dbraw/zinc/71/88/63/374718863.db2.gz VIDOIRZVMXNUDN-RYUDHWBXSA-N 2 0 253.346 -0.425 20 0 CBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)CC[NH3+])C2)CC1 ZINC000645978013 374720969 /nfs/dbraw/zinc/72/09/69/374720969.db2.gz QTBWPHKZIQLKKB-LLVKDONJSA-N 3 0 254.378 -0.380 20 0 CBADRP C[C@H]([NH3+])C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000646003033 374725530 /nfs/dbraw/zinc/72/55/30/374725530.db2.gz OGFIVRHDPYCLJQ-RYUDHWBXSA-N 2 0 254.378 -0.428 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009580 374726420 /nfs/dbraw/zinc/72/64/20/374726420.db2.gz VMSMWESSEDXHBY-KBPBESRZSA-N 2 0 298.431 -0.364 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009356 374726801 /nfs/dbraw/zinc/72/68/01/374726801.db2.gz DXNQQVNRCCRSIR-IHRRRGAJSA-N 2 0 298.431 -0.508 20 0 CBADRP C[NH+]1CCC2(CC1)CN(CC(=O)N1CCNC1=O)CCO2 ZINC000646103174 374740235 /nfs/dbraw/zinc/74/02/35/374740235.db2.gz HGUDDEKVOBYUFC-UHFFFAOYSA-N 2 0 296.371 -0.665 20 0 CBADRP COC[C@@]1(C(=O)N2CCC(OCCC[NH3+])CC2)CC[NH2+]C1 ZINC000646829096 374822085 /nfs/dbraw/zinc/82/20/85/374822085.db2.gz JXFAZNZWPGVIDE-OAHLLOKOSA-N 2 0 299.415 -0.031 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)CC2CC[NH2+]CC2)CCO1 ZINC000646843639 374825910 /nfs/dbraw/zinc/82/59/10/374825910.db2.gz LCWRMFBENLPUCZ-CMPLNLGQSA-N 2 0 255.362 -0.049 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646336390 374770669 /nfs/dbraw/zinc/77/06/69/374770669.db2.gz QTMWYAPVIQIYGP-QJPTWQEYSA-N 2 0 253.346 -0.425 20 0 CBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646336391 374770873 /nfs/dbraw/zinc/77/08/73/374770873.db2.gz QTMWYAPVIQIYGP-TUAOUCFPSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)C1CCOCC1 ZINC000646336594 374771108 /nfs/dbraw/zinc/77/11/08/374771108.db2.gz YUIYPCORONRVJC-DRZSPHRISA-N 2 0 267.373 -0.049 20 0 CBADRP [NH3+][C@H](C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)C1CCOCC1 ZINC000646336597 374771141 /nfs/dbraw/zinc/77/11/41/374771141.db2.gz YUIYPCORONRVJC-WXHSDQCUSA-N 2 0 267.373 -0.049 20 0 CBADRP CC(C)(C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N1CC[NH2+]CC1 ZINC000646335999 374771184 /nfs/dbraw/zinc/77/11/84/374771184.db2.gz FLTDEBXLWRVIIF-CHWSQXEVSA-N 2 0 280.416 -0.119 20 0 CBADRP CC(C)(C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N1CC[NH2+]CC1 ZINC000646336000 374771229 /nfs/dbraw/zinc/77/12/29/374771229.db2.gz FLTDEBXLWRVIIF-OLZOCXBDSA-N 2 0 280.416 -0.119 20 0 CBADRP CC(C)[C@H]1CN(C(=O)CCOC2C[NH2+]C2)CC[NH2+]1 ZINC000646327727 374771318 /nfs/dbraw/zinc/77/13/18/374771318.db2.gz QWTFQECLNPFUPX-GFCCVEGCSA-N 2 0 255.362 -0.179 20 0 CBADRP [NH3+]C1(CC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCC1 ZINC000646351090 374771781 /nfs/dbraw/zinc/77/17/81/374771781.db2.gz CWPCQFWPDOMBJP-LBPRGKRZSA-N 2 0 266.389 -0.236 20 0 CBADRP [NH3+]CCOCC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000646367863 374773653 /nfs/dbraw/zinc/77/36/53/374773653.db2.gz VXGUFMFWBCPMCL-GFCCVEGCSA-N 2 0 255.362 -0.190 20 0 CBADRP [NH3+]CCOCC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000646367864 374773826 /nfs/dbraw/zinc/77/38/26/374773826.db2.gz VXGUFMFWBCPMCL-LBPRGKRZSA-N 2 0 255.362 -0.190 20 0 CBADRP [NH3+]CC1(CC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000646364574 374773886 /nfs/dbraw/zinc/77/38/86/374773886.db2.gz XAIKIVVAQMNVPF-GFCCVEGCSA-N 2 0 266.389 -0.379 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646384166 374775660 /nfs/dbraw/zinc/77/56/60/374775660.db2.gz FSYRBIFEJFWDKR-VXGBXAGGSA-N 2 0 282.388 -0.701 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000646411127 374777475 /nfs/dbraw/zinc/77/74/75/374777475.db2.gz GRRGXWUEGKVBPU-GFCCVEGCSA-N 2 0 268.405 -0.262 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)CC(C)(C)[NH3+])CC1 ZINC000646412030 374777730 /nfs/dbraw/zinc/77/77/30/374777730.db2.gz XDHAGHITAVKPIG-UHFFFAOYSA-N 2 0 256.394 -0.133 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)NCC[N@@H+]1CCCOCC1 ZINC000646505232 374782453 /nfs/dbraw/zinc/78/24/53/374782453.db2.gz FLVXCXOYKCSTRE-GFCCVEGCSA-N 2 0 271.361 -0.797 20 0 CBADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000646600395 374793808 /nfs/dbraw/zinc/79/38/08/374793808.db2.gz LELNAUVSZKYARI-AAEUAGOBSA-N 2 0 279.340 -0.200 20 0 CBADRP COc1ccccc1[C@H]([NH3+])CNC(=O)COCC[NH3+] ZINC000646600996 374793918 /nfs/dbraw/zinc/79/39/18/374793918.db2.gz RLBHJYLIBADVFG-LLVKDONJSA-N 2 0 267.329 -0.214 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000647035924 374866861 /nfs/dbraw/zinc/86/68/61/374866861.db2.gz IVTDLMPCULYWGF-DCAQKATOSA-N 2 0 286.351 -0.987 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CC12CC[NH2+]CC2 ZINC000647055337 374876314 /nfs/dbraw/zinc/87/63/14/374876314.db2.gz VSMRXDSXQROOIV-NEPJUHHUSA-N 2 0 294.399 -0.497 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000647082026 374882796 /nfs/dbraw/zinc/88/27/96/374882796.db2.gz BTWAOMRRVWJYQM-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000647083814 374882893 /nfs/dbraw/zinc/88/28/93/374882893.db2.gz SBICTJSFGFCUGX-UTUOFQBUSA-N 2 0 253.346 -0.425 20 0 CBADRP CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@@H](C[NH3+])C1CC1 ZINC000647085481 374884276 /nfs/dbraw/zinc/88/42/76/374884276.db2.gz DGBRWUYPCVHFJV-RYUDHWBXSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH2+]CCC1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000646915414 374840326 /nfs/dbraw/zinc/84/03/26/374840326.db2.gz KRMPCVZVWLVVPO-LBPRGKRZSA-N 2 0 255.362 -0.177 20 0 CBADRP COC[C@H]([NH3+])C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000646969195 374852680 /nfs/dbraw/zinc/85/26/80/374852680.db2.gz PGLKLLVHDOGOLM-LBPRGKRZSA-N 2 0 251.330 -0.052 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)C[C@H]2CSCC[NH2+]2)CCO1 ZINC000646972134 374853844 /nfs/dbraw/zinc/85/38/44/374853844.db2.gz LZNACGSZBZJIBY-VHSXEESVSA-N 2 0 259.375 -0.732 20 0 CBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCO[C@H](C[NH3+])C2)C1(C)C ZINC000646972395 374854030 /nfs/dbraw/zinc/85/40/30/374854030.db2.gz VLJYLAMVHSWOKO-JTNHKYCSSA-N 2 0 285.388 -0.295 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000646996730 374857397 /nfs/dbraw/zinc/85/73/97/374857397.db2.gz VRWAKMPUIHSCJS-MDZLAQPJSA-N 2 0 255.362 -0.001 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000646996729 374857418 /nfs/dbraw/zinc/85/74/18/374857418.db2.gz VRWAKMPUIHSCJS-LOWVWBTDSA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[NH2+]CC1 ZINC000646988669 374857778 /nfs/dbraw/zinc/85/77/78/374857778.db2.gz XIDWISHICXGLEX-NEPJUHHUSA-N 2 0 282.388 -0.497 20 0 CBADRP CC[C@@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CC[C@H]1[NH3+] ZINC000647006614 374858592 /nfs/dbraw/zinc/85/85/92/374858592.db2.gz SIIILYANGQYUQC-GRYCIOLGSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000646997987 374858633 /nfs/dbraw/zinc/85/86/33/374858633.db2.gz AFZDRCMPTGPKFO-OUAUKWLOSA-N 2 0 268.361 -0.759 20 0 CBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000646997988 374859170 /nfs/dbraw/zinc/85/91/70/374859170.db2.gz AFZDRCMPTGPKFO-VWYCJHECSA-N 2 0 268.361 -0.759 20 0 CBADRP C[C@H]([NH3+])CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000647020925 374861215 /nfs/dbraw/zinc/86/12/15/374861215.db2.gz RMRYTXIZDLZJFA-ONGXEEELSA-N 2 0 251.334 -0.115 20 0 CBADRP C[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@@H](C)C[NH2+]1 ZINC000574569215 335030007 /nfs/dbraw/zinc/03/00/07/335030007.db2.gz LFEMCNSJFHCQMS-OUAUKWLOSA-N 2 0 268.361 -0.937 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000574569740 335030200 /nfs/dbraw/zinc/03/02/00/335030200.db2.gz ZVNIFKQMBDFPKH-UMNHJUIQSA-N 2 0 258.366 -0.522 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000574569737 335030337 /nfs/dbraw/zinc/03/03/37/335030337.db2.gz ZVNIFKQMBDFPKH-NHCYSSNCSA-N 2 0 258.366 -0.522 20 0 CBADRP CO[C@@H](CS(=O)(=O)N(CCC[NH3+])CCC[NH3+])C(C)C ZINC000647324244 374905589 /nfs/dbraw/zinc/90/55/89/374905589.db2.gz PNUVGGIEPGCKGG-LBPRGKRZSA-N 2 0 295.449 -0.013 20 0 CBADRP C[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)N(C)C1CC1 ZINC000574632490 335035289 /nfs/dbraw/zinc/03/52/89/335035289.db2.gz XGYWUQXQSVTTRT-DZGCQCFKSA-N 2 0 284.448 -0.333 20 0 CBADRP C[C@]1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCC[NH2+]1 ZINC000574639005 335036090 /nfs/dbraw/zinc/03/60/90/335036090.db2.gz PVDCFUFPYMSRTJ-TZMCWYRMSA-N 2 0 266.389 -0.365 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]([NH3+])COC)CC1 ZINC000357221665 248335712 /nfs/dbraw/zinc/33/57/12/248335712.db2.gz CFMNNBAMPKSGSF-NEPJUHHUSA-N 2 0 272.393 -0.898 20 0 CBADRP C[NH+](C)C1(CNC(=O)C[C@@H]2COCC[NH2+]2)CCOCC1 ZINC000357235413 248336692 /nfs/dbraw/zinc/33/66/92/248336692.db2.gz DCTWWRQQOIMPQV-GFCCVEGCSA-N 2 0 285.388 -0.408 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000357229942 248337028 /nfs/dbraw/zinc/33/70/28/248337028.db2.gz WSYTZNHZMDHNMT-LLVKDONJSA-N 2 0 255.362 -0.096 20 0 CBADRP C[C@H](C[NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000357181125 248332779 /nfs/dbraw/zinc/33/27/79/248332779.db2.gz WPVQZGOBOPABBE-GHMZBOCLSA-N 2 0 270.377 -0.715 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]([NH3+])COC ZINC000357228149 248333462 /nfs/dbraw/zinc/33/34/62/248333462.db2.gz SJICDPVCHLEVHK-GHMZBOCLSA-N 2 0 261.366 -0.567 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000357230763 248337584 /nfs/dbraw/zinc/33/75/84/248337584.db2.gz YMHSRVUPWJXRMB-CHWSQXEVSA-N 2 0 287.404 -0.162 20 0 CBADRP C[C@H](CNC(=O)[C@@H](C)C[NH3+])C[NH+]1CCN(C)CC1 ZINC000357240092 248337860 /nfs/dbraw/zinc/33/78/60/248337860.db2.gz JEWBFGBOFLASHH-NEPJUHHUSA-N 2 0 256.394 -0.419 20 0 CBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000357230765 248338673 /nfs/dbraw/zinc/33/86/73/248338673.db2.gz YMHSRVUPWJXRMB-QWHCGFSZSA-N 2 0 287.404 -0.162 20 0 CBADRP C[C@@H](C[NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000357249352 248339486 /nfs/dbraw/zinc/33/94/86/248339486.db2.gz SEMRDJANRNHQFP-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP C[NH2+]CCC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000357249328 248339503 /nfs/dbraw/zinc/33/95/03/248339503.db2.gz RZZFWWFNBDTTTH-GFCCVEGCSA-N 2 0 284.404 -0.345 20 0 CBADRP C[C@H](C[NH3+])C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000357245543 248341265 /nfs/dbraw/zinc/34/12/65/248341265.db2.gz VMINZDMNXZCWQS-VXGBXAGGSA-N 2 0 255.362 -0.238 20 0 CBADRP CC[C@H]1CN(CCNC(=O)[C@@H]2CN(CC)CCO2)CCO1 ZINC000357366753 248353316 /nfs/dbraw/zinc/35/33/16/248353316.db2.gz CINZCAKAOCVFJE-KBPBESRZSA-N 2 0 299.415 -0.066 20 0 CBADRP CC(C)NC(=O)CN(C)C1CC[NH+](CCO)CC1 ZINC000357653114 248387677 /nfs/dbraw/zinc/38/76/77/248387677.db2.gz XBVOULXUMPUXCP-UHFFFAOYSA-N 2 0 257.378 -0.101 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCCC[NH+]2CCCC2)C1 ZINC000357723722 248399009 /nfs/dbraw/zinc/39/90/09/248399009.db2.gz ATOUYMSWVYODGG-AWEZNQCLSA-N 2 0 284.404 -0.162 20 0 CBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000357921389 248422830 /nfs/dbraw/zinc/42/28/30/248422830.db2.gz LQMLJBYLLQSROM-AGIUHOORSA-N 2 0 267.373 -0.347 20 0 CBADRP [NH3+]C1(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CCCCCC1 ZINC000372911659 248825320 /nfs/dbraw/zinc/82/53/20/248825320.db2.gz MWJRQMKJSMVWJZ-WDEREUQCSA-N 2 0 255.362 -0.123 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000373862918 248836570 /nfs/dbraw/zinc/83/65/70/248836570.db2.gz NGUIJJQIQVGYOS-TZMCWYRMSA-N 2 0 266.389 -0.603 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419732363 284625730 /nfs/dbraw/zinc/62/57/30/284625730.db2.gz MIWCYTKEZZWJJW-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419736160 284627645 /nfs/dbraw/zinc/62/76/45/284627645.db2.gz RLXDXWJTKHKAEZ-JTQLQIEISA-N 2 0 258.366 -0.702 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)NCCC[NH2+]C2CC2)nn1 ZINC000515485189 248919169 /nfs/dbraw/zinc/91/91/69/248919169.db2.gz YCDMDKHEFGZUKC-UHFFFAOYSA-N 2 0 280.376 -0.111 20 0 CBADRP C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)C[NH+]1CCCC1 ZINC000516429126 248924772 /nfs/dbraw/zinc/92/47/72/248924772.db2.gz BXUNIBGUTSVSEX-KGLIPLIRSA-N 2 0 297.447 -0.079 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000418954726 284659855 /nfs/dbraw/zinc/65/98/55/284659855.db2.gz XMUKQJXRXVZFTR-NWDGAFQWSA-N 2 0 286.420 -0.195 20 0 CBADRP CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)C1CC[NH+](C)CC1 ZINC000653130421 412885008 /nfs/dbraw/zinc/88/50/08/412885008.db2.gz JSZOKNQUFMLZGH-FZMZJTMJSA-N 2 0 267.373 -0.225 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CCO1 ZINC000653130428 412885434 /nfs/dbraw/zinc/88/54/34/412885434.db2.gz KADOCBJDQFLINI-WOPDTQHZSA-N 2 0 253.346 -0.297 20 0 CBADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000357926953 284695030 /nfs/dbraw/zinc/69/50/30/284695030.db2.gz LAGUPQXSNQJIGA-YNEHKIRRSA-N 2 0 269.389 -0.101 20 0 CBADRP Cn1nncc1C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347164956 218142674 /nfs/dbraw/zinc/14/26/74/218142674.db2.gz JKIUGFKZKDVEJO-LBPRGKRZSA-N 2 0 292.387 -0.541 20 0 CBADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000347175705 218144692 /nfs/dbraw/zinc/14/46/92/218144692.db2.gz QERGTQSBUPCQNA-NSHDSACASA-N 2 0 280.372 -0.485 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000347187533 218150082 /nfs/dbraw/zinc/15/00/82/218150082.db2.gz CDXJGFKPWGCDRM-WDEREUQCSA-N 2 0 280.372 -0.357 20 0 CBADRP CC(C)C[C@H]([NH2+][C@H](C)CC(N)=O)C(=O)NCC[NH+](C)C ZINC000347197663 218152061 /nfs/dbraw/zinc/15/20/61/218152061.db2.gz AZOQRMWJKHHOTD-NEPJUHHUSA-N 2 0 286.420 -0.068 20 0 CBADRP CC(C)[C@@H](C(=O)NCCN1CC[NH+](C)CC1)[NH+](C)C ZINC000347334173 218193295 /nfs/dbraw/zinc/19/32/95/218193295.db2.gz ILLXHTVCDLIMKR-ZDUSSCGKSA-N 2 0 270.421 -0.064 20 0 CBADRP C[N@@H+]1CCCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000347643199 218303541 /nfs/dbraw/zinc/30/35/41/218303541.db2.gz CGPMCEPSLCNVGE-GFCCVEGCSA-N 2 0 282.388 -0.591 20 0 CBADRP Cn1ccnc1N1CCN(CCNS(C)(=O)=O)CC1 ZINC000266934630 190291844 /nfs/dbraw/zinc/29/18/44/190291844.db2.gz PNASQEVFVICSLF-UHFFFAOYSA-N 2 0 287.389 -0.909 20 0 CBADRP C[C@@H](CNC(=O)CNC(=O)C[NH3+])[N@@H+]1CCCC[C@H]1C ZINC000347669011 218315008 /nfs/dbraw/zinc/31/50/08/218315008.db2.gz MGXYFSKUNQVRFF-MNOVXSKESA-N 2 0 270.377 -0.560 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)C[NH+](C)[C@H]1CCSC1 ZINC000347813017 218366171 /nfs/dbraw/zinc/36/61/71/218366171.db2.gz WIIZDNXEVGKYNP-LBPRGKRZSA-N 2 0 289.445 -0.146 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCC[N@H+]1CC=CCC1 ZINC000574754761 335044885 /nfs/dbraw/zinc/04/48/85/335044885.db2.gz KOXRYROTHDZONF-NSHDSACASA-N 2 0 269.345 -0.355 20 0 CBADRP CN(C)C(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000574757590 335045338 /nfs/dbraw/zinc/04/53/38/335045338.db2.gz SIXFJBNELUPYEJ-YPMHNXCESA-N 2 0 255.362 -0.097 20 0 CBADRP COCC[NH2+][C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000574766556 335046116 /nfs/dbraw/zinc/04/61/16/335046116.db2.gz MZJZTTXPVJKXLA-SNVBAGLBSA-N 2 0 257.334 -0.698 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCCN1CC[NH2+]CC1 ZINC000417447262 207558032 /nfs/dbraw/zinc/55/80/32/207558032.db2.gz OVPPTEWQAVAFLF-CYBMUJFWSA-N 2 0 285.436 -0.079 20 0 CBADRP C[C@]1(CNC(=O)NCCCN2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000418290623 207575391 /nfs/dbraw/zinc/57/53/91/207575391.db2.gz SCLMOAGERUKKQT-HNNXBMFYSA-N 2 0 297.447 -0.029 20 0 CBADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000418424876 207585445 /nfs/dbraw/zinc/58/54/45/207585445.db2.gz IIDCLUPXZFXBGQ-DGCLKSJQSA-N 2 0 274.409 -0.028 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418585681 207595353 /nfs/dbraw/zinc/59/53/53/207595353.db2.gz DSYKAGXSMPPHLK-QWHCGFSZSA-N 2 0 283.420 -0.293 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418950782 207623373 /nfs/dbraw/zinc/62/33/73/207623373.db2.gz TYQLYKVRNAVVMT-CMPLNLGQSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418952059 207624472 /nfs/dbraw/zinc/62/44/72/207624472.db2.gz UXZFEKKRLDFICQ-CMPLNLGQSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419155390 207654966 /nfs/dbraw/zinc/65/49/66/207654966.db2.gz SWTABNUXQXCGIC-QJPTWQEYSA-N 2 0 284.404 -0.348 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000419242830 207668056 /nfs/dbraw/zinc/66/80/56/207668056.db2.gz RQXBNLBUNASTJD-RYUDHWBXSA-N 2 0 296.415 -0.027 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000342719935 532983356 /nfs/dbraw/zinc/98/33/56/532983356.db2.gz YHPJWPHQBMHZJX-NEPJUHHUSA-N 2 0 255.362 -0.177 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000423386839 285031874 /nfs/dbraw/zinc/03/18/74/285031874.db2.gz RSXLGWQCORUOOJ-NSHDSACASA-N 2 0 255.362 -0.177 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000376719512 285035874 /nfs/dbraw/zinc/03/58/74/285035874.db2.gz DFLISQZFGPZJDP-WCQYABFASA-N 2 0 273.352 -0.085 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000420094901 207789214 /nfs/dbraw/zinc/78/92/14/207789214.db2.gz RNXIXJGSPNMKLU-GFCCVEGCSA-N 2 0 296.415 -0.073 20 0 CBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000422776432 207861577 /nfs/dbraw/zinc/86/15/77/207861577.db2.gz ANPUQZQOJCUZLK-VXGBXAGGSA-N 2 0 255.362 -0.036 20 0 CBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N(C)CC[NH3+] ZINC000423064123 207872293 /nfs/dbraw/zinc/87/22/93/207872293.db2.gz QMTRIPAAKJXLKE-UHFFFAOYSA-N 2 0 272.393 -0.550 20 0 CBADRP O=C1NC(=O)[C@@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)N1 ZINC000261935947 296357988 /nfs/dbraw/zinc/35/79/88/296357988.db2.gz MBWGSJZHXKUGDN-ZDUSSCGKSA-N 2 0 266.345 -0.340 20 0 CBADRP C[C@@H]([NH3+])CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424073956 207958125 /nfs/dbraw/zinc/95/81/25/207958125.db2.gz GGSGGWADRVLCCT-ZJUUUORDSA-N 2 0 266.349 -0.330 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424157958 207963307 /nfs/dbraw/zinc/96/33/07/207963307.db2.gz SBNRYMBYVIEYNY-UWVGGRQHSA-N 2 0 266.349 -0.330 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424468400 207986504 /nfs/dbraw/zinc/98/65/04/207986504.db2.gz ODWUIUNDXZLYMS-QJPTWQEYSA-N 2 0 269.393 -0.541 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000429672454 208127035 /nfs/dbraw/zinc/12/70/35/208127035.db2.gz DOIJVIQIAYUBDT-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000429680452 208127661 /nfs/dbraw/zinc/12/76/61/208127661.db2.gz SWMLBFIGWXUWEW-STQMWFEESA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000429680450 208127916 /nfs/dbraw/zinc/12/79/16/208127916.db2.gz SWMLBFIGWXUWEW-OLZOCXBDSA-N 2 0 296.415 -0.264 20 0 CBADRP CC[NH+]1CCC(NC(=O)CCOC2C[NH2+]C2)CC1 ZINC000348992484 218787899 /nfs/dbraw/zinc/78/78/99/218787899.db2.gz IHMQXYZJRVKDJR-UHFFFAOYSA-N 2 0 255.362 -0.035 20 0 CBADRP CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000429455499 208121318 /nfs/dbraw/zinc/12/13/18/208121318.db2.gz RFEPYPISJJNXHX-NWDGAFQWSA-N 2 0 292.449 -0.251 20 0 CBADRP CCS(=O)(=O)NCC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430564129 208164997 /nfs/dbraw/zinc/16/49/97/208164997.db2.gz AQKMOUWBYJJBBI-UHFFFAOYSA-N 2 0 293.433 -0.245 20 0 CBADRP CNS(=O)(=O)CCC[N@H+](C)CC(C)(C)C[NH3+] ZINC000430594972 208167480 /nfs/dbraw/zinc/16/74/80/208167480.db2.gz WSNUEOSRALZZGL-UHFFFAOYSA-N 2 0 251.396 -0.158 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCCN2CCOCC2)C1 ZINC000430635986 208168509 /nfs/dbraw/zinc/16/85/09/208168509.db2.gz IASAESKMOWRCGK-CQSZACIVSA-N 2 0 298.431 -0.504 20 0 CBADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC1CC1 ZINC000430629901 208168552 /nfs/dbraw/zinc/16/85/52/208168552.db2.gz QWEARYKIGQRJJA-LBPRGKRZSA-N 2 0 294.399 -0.591 20 0 CBADRP [NH3+]C[C@@H]1CCC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000430624727 208169747 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CC[NH+]1CCC(N(C)C(=O)COC2C[NH2+]C2)CC1 ZINC000430754891 208178405 /nfs/dbraw/zinc/17/84/05/208178405.db2.gz OQCHSCINFPWYAR-UHFFFAOYSA-N 2 0 255.362 -0.083 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)NCCC[NH+]1CCC(O)CC1 ZINC000430749879 208179051 /nfs/dbraw/zinc/17/90/51/208179051.db2.gz LTKHEIDDEPAGOC-CQSZACIVSA-N 2 0 299.415 -0.282 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000430770943 208181333 /nfs/dbraw/zinc/18/13/33/208181333.db2.gz AQXCFKVDZKLUBC-CYBMUJFWSA-N 2 0 284.404 -0.883 20 0 CBADRP COCC[NH2+]CCNC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422604482 285077965 /nfs/dbraw/zinc/07/79/65/285077965.db2.gz BYNDERDGYONTQE-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP O=C(C[NH2+]C[C@H]1CCCO1)NCC[NH+]1CCCC1 ZINC000430823613 208184317 /nfs/dbraw/zinc/18/43/17/208184317.db2.gz UBYSJCBXAZTMLM-GFCCVEGCSA-N 2 0 255.362 -0.033 20 0 CBADRP C[NH2+]CCCC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000430891855 208186968 /nfs/dbraw/zinc/18/69/68/208186968.db2.gz XTZDMWIEEPSYMI-NSHDSACASA-N 2 0 270.377 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COCC[C@]1(C(=O)NCCN2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000431010419 208198404 /nfs/dbraw/zinc/19/84/04/208198404.db2.gz OZNPIHLQAHXSAX-OAHLLOKOSA-N 2 0 298.431 -0.634 20 0 CBADRP CC[NH+]1CCN([C@H](C)CNC(=O)COC2C[NH2+]C2)CC1 ZINC000431020835 208199323 /nfs/dbraw/zinc/19/93/23/208199323.db2.gz FEHYWOCBCUCOFA-GFCCVEGCSA-N 2 0 284.404 -0.883 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000431013599 208199546 /nfs/dbraw/zinc/19/95/46/208199546.db2.gz YWBKMFMZYNUOKI-UPJWGTAASA-N 2 0 268.405 -0.134 20 0 CBADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)N1CCOCC1 ZINC000431018168 208199930 /nfs/dbraw/zinc/19/99/30/208199930.db2.gz UYTPQPOCBLQAPL-UHFFFAOYSA-N 2 0 267.373 -0.079 20 0 CBADRP CCN1CC[NH+](CCCCNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000431013762 208200115 /nfs/dbraw/zinc/20/01/15/208200115.db2.gz GSEGCAUKZOIECZ-AWEZNQCLSA-N 2 0 298.431 -0.491 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000431010809 208200247 /nfs/dbraw/zinc/20/02/47/208200247.db2.gz RQNQCNZLUVIDOU-ZDUSSCGKSA-N 2 0 284.404 -0.881 20 0 CBADRP COCC[NH2+]CC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000431021658 208200363 /nfs/dbraw/zinc/20/03/63/208200363.db2.gz AGNXDWPZYJVVID-ZYHUDNBSSA-N 2 0 255.362 -0.179 20 0 CBADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000431027121 208200417 /nfs/dbraw/zinc/20/04/17/208200417.db2.gz HHDMAVJRYZQCDX-NEPJUHHUSA-N 2 0 256.394 -0.406 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000431023507 208200521 /nfs/dbraw/zinc/20/05/21/208200521.db2.gz RFBAQABLCRRABG-AGIUHOORSA-N 2 0 268.405 -0.134 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000431031217 208202111 /nfs/dbraw/zinc/20/21/11/208202111.db2.gz WLARMARWBTWFSK-STQMWFEESA-N 2 0 284.404 -0.883 20 0 CBADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000432518650 208225018 /nfs/dbraw/zinc/22/50/18/208225018.db2.gz XYTVHQZBFOMYNE-HZSPNIEDSA-N 2 0 281.400 -0.101 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000432538061 208227935 /nfs/dbraw/zinc/22/79/35/208227935.db2.gz YIDQHYDOVLZPAK-CHWSQXEVSA-N 2 0 268.405 -0.262 20 0 CBADRP CN1C[C@@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)CCC1=O ZINC000433157432 208238563 /nfs/dbraw/zinc/23/85/63/208238563.db2.gz MCSBICBXUHNLSD-ZDUSSCGKSA-N 2 0 296.415 -0.073 20 0 CBADRP COC(=O)CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433137939 208240552 /nfs/dbraw/zinc/24/05/52/208240552.db2.gz QEQGWRMGELONHK-UHFFFAOYSA-N 2 0 257.334 -0.521 20 0 CBADRP C[C@@H]([NH3+])CCC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000434679122 208264494 /nfs/dbraw/zinc/26/44/94/208264494.db2.gz AYHBPWKIUMGNQW-VXGBXAGGSA-N 2 0 284.404 -0.183 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)CC1 ZINC000434699990 208264775 /nfs/dbraw/zinc/26/47/75/208264775.db2.gz PVIMNSNIEYJDNS-STQMWFEESA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@@H]1CCCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@H]1C[NH3+] ZINC000354669307 296367951 /nfs/dbraw/zinc/36/79/51/296367951.db2.gz IBCQHIFTQVCWIZ-AGIUHOORSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[N@H+](CC(=O)NC[C@H]1C[NH+](C)CCN1C)C1CC1 ZINC000440953519 208347098 /nfs/dbraw/zinc/34/70/98/208347098.db2.gz GGJHHEJEHOSSMO-ZDUSSCGKSA-N 2 0 268.405 -0.167 20 0 CBADRP C[C@H]([NH3+])CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000442657264 208357891 /nfs/dbraw/zinc/35/78/91/208357891.db2.gz HHBUVNMJTGIEGL-LBPRGKRZSA-N 2 0 254.378 -0.426 20 0 CBADRP CC[NH+](CC)CC(=O)N1CCN(C[C@@H](C)[NH3+])CC1 ZINC000442643768 208358412 /nfs/dbraw/zinc/35/84/12/208358412.db2.gz ATYMFGDFEPEXBS-GFCCVEGCSA-N 2 0 256.394 -0.180 20 0 CBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C[NH+](C)C)CC1 ZINC000442653302 208358480 /nfs/dbraw/zinc/35/84/80/208358480.db2.gz PRFUNWHAUPATMN-LBPRGKRZSA-N 2 0 256.394 -0.310 20 0 CBADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000442765395 208364674 /nfs/dbraw/zinc/36/46/74/208364674.db2.gz JLPXHNKAQGRYDQ-NWDGAFQWSA-N 2 0 255.362 -0.096 20 0 CBADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000442757397 208364866 /nfs/dbraw/zinc/36/48/66/208364866.db2.gz GQQZGSITUCUOLP-DYEKYZERSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@@H]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@@H]1C[NH3+] ZINC000351540407 296369605 /nfs/dbraw/zinc/36/96/05/296369605.db2.gz VPZYUWDCAVIXJQ-GRYCIOLGSA-N 2 0 282.388 -0.560 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1=O ZINC000449745576 208502451 /nfs/dbraw/zinc/50/24/51/208502451.db2.gz CDYFRVAUVGSVQZ-UPJWGTAASA-N 2 0 294.399 -0.783 20 0 CBADRP COC[C@@H]([NH3+])C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000262303576 285224823 /nfs/dbraw/zinc/22/48/23/285224823.db2.gz OCZKAERKAXXJBP-ZIAGYGMSSA-N 2 0 298.431 -0.411 20 0 CBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354664977 220872946 /nfs/dbraw/zinc/87/29/46/220872946.db2.gz DNEPAONXPWJJAQ-RWMBFGLXSA-N 2 0 296.415 -0.122 20 0 CBADRP C[NH+](C)CC(C)(C)CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354696710 220887141 /nfs/dbraw/zinc/88/71/41/220887141.db2.gz SMRFKKLUNDTWNU-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C2([NH3+])CC2)CC1 ZINC000353182764 285320080 /nfs/dbraw/zinc/32/00/80/285320080.db2.gz KTAXIAHXKCYBKI-GFCCVEGCSA-N 2 0 268.405 -0.133 20 0 CBADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@H]1C[C@H](F)C[NH2+]1 ZINC000575044971 335058397 /nfs/dbraw/zinc/05/83/97/335058397.db2.gz HGALAXYPAQJJHN-RNJXMRFFSA-N 2 0 251.252 -0.200 20 0 CBADRP C[C@H]([NH3+])C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000575044787 335058508 /nfs/dbraw/zinc/05/85/08/335058508.db2.gz YOBUOYUAIKPGFQ-JGVFFNPUSA-N 2 0 268.283 -0.714 20 0 CBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1C[C@H](F)C[NH2+]1 ZINC000575044972 335058526 /nfs/dbraw/zinc/05/85/26/335058526.db2.gz HGALAXYPAQJJHN-XLPZGREQSA-N 2 0 251.252 -0.200 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000419890400 285588092 /nfs/dbraw/zinc/58/80/92/285588092.db2.gz MIROXHXRSKWXTN-ZDUSSCGKSA-N 2 0 296.415 -0.201 20 0 CBADRP C[C@@H]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000261642975 296506205 /nfs/dbraw/zinc/50/62/05/296506205.db2.gz AWHKSXYJWFFRDJ-FRRDWIJNSA-N 2 0 296.415 -0.170 20 0 CBADRP C[NH+](C)CC(C)(C)NC(=O)NCCN1CC[NH2+]CC1 ZINC000418296176 289077773 /nfs/dbraw/zinc/07/77/73/289077773.db2.gz JIESFABSBFSXCN-UHFFFAOYSA-N 2 0 271.409 -0.469 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000420107317 296577327 /nfs/dbraw/zinc/57/73/27/296577327.db2.gz ATWBCHGWDMYOHM-UPJWGTAASA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000417851651 296585317 /nfs/dbraw/zinc/58/53/17/296585317.db2.gz NIHITJACCBVEHJ-HZSPNIEDSA-N 2 0 280.416 -0.119 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000417776240 296586854 /nfs/dbraw/zinc/58/68/54/296586854.db2.gz AHDZHAHBWVFIRS-UPJWGTAASA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418846610 297101854 /nfs/dbraw/zinc/10/18/54/297101854.db2.gz YPWSOSWBTLQNEB-GFCCVEGCSA-N 2 0 296.415 -0.203 20 0 CBADRP COCC1(CNC(=O)[C@@H]2CC23C[NH2+]C3)CC[NH2+]CC1 ZINC000375066248 292243920 /nfs/dbraw/zinc/24/39/20/292243920.db2.gz SSQZPLWFCOJXJM-NSHDSACASA-N 2 0 267.373 -0.272 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000417760367 292337220 /nfs/dbraw/zinc/33/72/20/292337220.db2.gz XRTAVWSYESWWCH-LLVKDONJSA-N 2 0 258.366 -0.384 20 0 CBADRP CC[C@@H](C(=O)N(C)CC(=O)N1CC[NH2+]CC1)[NH+](CC)CC ZINC000428204574 286724693 /nfs/dbraw/zinc/72/46/93/286724693.db2.gz NPFBTEIXTOKFSO-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)NCCNc1cc[nH+]cc1 ZINC000418490099 286823974 /nfs/dbraw/zinc/82/39/74/286823974.db2.gz MTBMBNDYGRREJX-JTQLQIEISA-N 2 0 251.334 -0.191 20 0 CBADRP C[C@@H](CNC(=O)C[NH2+]CC1CC1)N1CC[NH+](C)CC1 ZINC000262645706 286857778 /nfs/dbraw/zinc/85/77/78/286857778.db2.gz NQEWLTNPNZLZKF-LBPRGKRZSA-N 2 0 268.405 -0.262 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000165854600 292523605 /nfs/dbraw/zinc/52/36/05/292523605.db2.gz ZTPDIJODCCPRIH-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(CN1CC[NH2+]CC1)NCCC[NH+]1CCCC1 ZINC000037631202 411625129 /nfs/dbraw/zinc/62/51/29/411625129.db2.gz SRGJSCSBVAFARE-UHFFFAOYSA-N 2 0 254.378 -0.506 20 0 CBADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662748568 413991884 /nfs/dbraw/zinc/99/18/84/413991884.db2.gz BMAQREIEKFUBAI-GFCCVEGCSA-N 2 0 267.373 -0.489 20 0 CBADRP C[NH+](C)C1CCN(CCNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662747702 413992241 /nfs/dbraw/zinc/99/22/41/413992241.db2.gz CENQQVBLNMBHMH-HAQNSBGRSA-N 2 0 268.405 -0.134 20 0 CBADRP CCC[N@H+](C)CC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662753046 413992715 /nfs/dbraw/zinc/99/27/15/413992715.db2.gz LRLWCANMGPGLIC-UHFFFAOYSA-N 2 0 267.333 -0.401 20 0 CBADRP [NH3+][C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC[C@H]1F ZINC000662750626 413993117 /nfs/dbraw/zinc/99/31/17/413993117.db2.gz VJFJNZXNUWSULR-FBIMIBRVSA-N 2 0 281.335 -0.002 20 0 CBADRP CN(C(=O)COCC[NH3+])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662901647 414058506 /nfs/dbraw/zinc/05/85/06/414058506.db2.gz XWPIHOXBSXIFTO-AWEZNQCLSA-N 2 0 298.431 -0.411 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000040464168 174273621 /nfs/dbraw/zinc/27/36/21/174273621.db2.gz IHYBODYZKGCMGB-LLVKDONJSA-N 2 0 256.394 -0.277 20 0 CBADRP CC[NH+]1CCC(N(C)C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000043708138 175100982 /nfs/dbraw/zinc/10/09/82/175100982.db2.gz VPGATJZZDKGIQG-GFCCVEGCSA-N 2 0 255.362 -0.083 20 0 CBADRP Cn1c(C[NH+]2CCC(C[NH3+])CC2)cc(=O)n(C)c1=O ZINC000044514498 175189185 /nfs/dbraw/zinc/18/91/85/175189185.db2.gz YDKKOXHTZVTDHU-UHFFFAOYSA-N 2 0 266.345 -0.745 20 0 CBADRP C[N@H+](CCNC(=O)[C@H]1C[NH2+]CCO1)C1CCCC1 ZINC000071378560 176142859 /nfs/dbraw/zinc/14/28/59/176142859.db2.gz ASLZXLDWCXPTKQ-GFCCVEGCSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@H]1CCCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@@H]1C[NH3+] ZINC000354669314 287328343 /nfs/dbraw/zinc/32/83/43/287328343.db2.gz IBCQHIFTQVCWIZ-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@H](C(=O)N(C)CC(=O)N1CC[NH2+]CC1)[NH+](CC)CC ZINC000428204572 287444548 /nfs/dbraw/zinc/44/45/48/287444548.db2.gz NPFBTEIXTOKFSO-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000355326916 227637611 /nfs/dbraw/zinc/63/76/11/227637611.db2.gz XLIHIKYTCKIGNG-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000331370146 228095859 /nfs/dbraw/zinc/09/58/59/228095859.db2.gz CXYDVNBEOXTAGB-LOWVWBTDSA-N 2 0 294.399 -0.465 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000367159390 228150804 /nfs/dbraw/zinc/15/08/04/228150804.db2.gz NMSUFAOIPLWJSW-AWEZNQCLSA-N 2 0 298.431 -0.539 20 0 CBADRP [NH3+]CCn1cc(C(=O)NCC[NH+]2CCCCCC2)nn1 ZINC000089700171 544436706 /nfs/dbraw/zinc/43/67/06/544436706.db2.gz NNVYZACFNKRKNU-UHFFFAOYSA-N 2 0 280.376 -0.157 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000098061783 544447305 /nfs/dbraw/zinc/44/73/05/544447305.db2.gz ACYHUYKZZGXQQE-UHFFFAOYSA-N 2 0 284.404 -0.881 20 0 CBADRP C[C@@H](C(=O)NCCN(C)C(=O)[C@H](C)[NH+](C)C)[NH+](C)C ZINC000119339336 544449962 /nfs/dbraw/zinc/44/99/62/544449962.db2.gz RIIJUAKAUIUNLR-QWRGUYRKSA-N 2 0 272.393 -0.539 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)CN3CC[NH2+]CC3)CC[C@H]21 ZINC000227333988 544493863 /nfs/dbraw/zinc/49/38/63/544493863.db2.gz DTYIEBBCLNODOJ-ZIAGYGMSSA-N 2 0 280.416 -0.166 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)CNC(=O)C[NH3+])CC[C@H]21 ZINC000227332872 544494878 /nfs/dbraw/zinc/49/48/78/544494878.db2.gz VKFILYGJCIHBHI-GHMZBOCLSA-N 2 0 268.361 -0.996 20 0 CBADRP C[NH+](C)C[C@@H]1CCCN1C(=O)COC1(C)C[NH2+]C1 ZINC000161166929 544476399 /nfs/dbraw/zinc/47/63/99/544476399.db2.gz NVDYAEBOTOYRJC-NSHDSACASA-N 2 0 255.362 -0.083 20 0 CBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)COCC[NH3+])CC[C@@H]21 ZINC000167531254 544479623 /nfs/dbraw/zinc/47/96/23/544479623.db2.gz XYPSQKZXBJHBHO-NEPJUHHUSA-N 2 0 255.362 -0.096 20 0 CBADRP C[C@@H]([NH3+])CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000194951396 544487781 /nfs/dbraw/zinc/48/77/81/544487781.db2.gz KKIOJCRHKLOFJI-LLVKDONJSA-N 2 0 277.372 -0.090 20 0 CBADRP O=C(NC[C@@H](O)CN1CCOCC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000332998675 544543584 /nfs/dbraw/zinc/54/35/84/544543584.db2.gz RLTSIBALVBSRRP-KGLIPLIRSA-N 2 0 297.399 -0.578 20 0 CBADRP COC[C@H](C)OC[C@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000234827429 544503561 /nfs/dbraw/zinc/50/35/61/544503561.db2.gz WGEDLTNXDPNGPQ-WUHRBBMRSA-N 2 0 258.362 -0.450 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C)[NH3+])CC1=O ZINC000249082705 544512699 /nfs/dbraw/zinc/51/26/99/544512699.db2.gz HRVOQRLKMSYCHA-FRRDWIJNSA-N 2 0 296.415 -0.217 20 0 CBADRP C[NH+]1CCN(CCNC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261721747 544515571 /nfs/dbraw/zinc/51/55/71/544515571.db2.gz GYTFQXZTKZHXTM-QWHCGFSZSA-N 2 0 268.405 -0.133 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000037826905 419413194 /nfs/dbraw/zinc/41/31/94/419413194.db2.gz UZQTZQVYVQXLJM-UHFFFAOYSA-N 2 0 284.404 -0.928 20 0 CBADRP CC(C)C[C@@H](CNC(=O)CN1CC[NH2+]CC1)[NH+](C)C ZINC000040831378 419418425 /nfs/dbraw/zinc/41/84/25/419418425.db2.gz NXLDDOPRGSGFKN-ZDUSSCGKSA-N 2 0 270.421 -0.016 20 0 CBADRP Cc1nc(N)nc(N2CCN(CCO)C[C@H]2C)n1 ZINC000631305258 419482720 /nfs/dbraw/zinc/48/27/20/419482720.db2.gz SKADKXFZUVUXMG-MRVPVSSYSA-N 2 0 252.322 -0.735 20 0 CBADRP C[NH+]1CCC(CNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000044526648 419428717 /nfs/dbraw/zinc/42/87/17/419428717.db2.gz MZMWMKNQOCOZRF-UHFFFAOYSA-N 2 0 254.378 -0.650 20 0 CBADRP CC[NH+]1CCC(CNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000044526743 419428991 /nfs/dbraw/zinc/42/89/91/419428991.db2.gz RMPZXTGXYFOKOG-UHFFFAOYSA-N 2 0 268.405 -0.260 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044680851 419430033 /nfs/dbraw/zinc/43/00/33/419430033.db2.gz HWYSCADKTJFKAG-LLVKDONJSA-N 2 0 252.362 -0.756 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)NCCOCCC[NH3+])n1 ZINC000625864202 419431185 /nfs/dbraw/zinc/43/11/85/419431185.db2.gz UBWIZBZDYVBHNC-UHFFFAOYSA-N 2 0 298.391 -0.068 20 0 CBADRP CCC[NH+]1CCC(NC(=O)CN2CC[NH2+]CC2)CC1 ZINC000048596076 419448441 /nfs/dbraw/zinc/44/84/41/419448441.db2.gz RABNLUDHKNVNHE-UHFFFAOYSA-N 2 0 268.405 -0.118 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000662152395 419549787 /nfs/dbraw/zinc/54/97/87/419549787.db2.gz UAMRMOADIQIKJB-HUUCEWRRSA-N 2 0 285.432 -0.170 20 0 CBADRP C[N@H+](C[C@H](O)CN1CCC([NH+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000662150679 419551019 /nfs/dbraw/zinc/55/10/19/419551019.db2.gz ACHBBNZUTMXBBI-HOTGVXAUSA-N 2 0 297.443 -0.028 20 0 CBADRP COC[C@@H](C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)OC ZINC000662243581 419559014 /nfs/dbraw/zinc/55/90/14/419559014.db2.gz NCXBGLAKNZIVBG-ZIAGYGMSSA-N 2 0 299.415 -0.208 20 0 CBADRP CS(=O)(=O)N[C@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254251 419560618 /nfs/dbraw/zinc/56/06/18/419560618.db2.gz GLBUXZSAHOPLHB-QWRGUYRKSA-N 2 0 289.401 -0.869 20 0 CBADRP NC(=O)[C@@H]1CCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249490 419563898 /nfs/dbraw/zinc/56/38/98/419563898.db2.gz VNTYVWRICIJQHY-MNOVXSKESA-N 2 0 253.346 -0.153 20 0 CBADRP CC[N@H+](CCNC(=O)c1cn(CC[NH3+])nn1)C1CC1 ZINC000219910510 419564762 /nfs/dbraw/zinc/56/47/62/419564762.db2.gz UAKOVGMBLFYOEG-UHFFFAOYSA-N 2 0 266.349 -0.549 20 0 CBADRP CC[NH+]1CCN(CC(=O)NCCC[NH+](C)C)CC1 ZINC000174591762 419505978 /nfs/dbraw/zinc/50/59/78/419505978.db2.gz MOGHODFQUZDLOJ-UHFFFAOYSA-N 2 0 256.394 -0.308 20 0 CBADRP CN1CCO[C@H](C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000172753193 419508127 /nfs/dbraw/zinc/50/81/27/419508127.db2.gz HTNXTOMCUIUVHQ-RYUDHWBXSA-N 2 0 255.362 -0.130 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000647705049 419633040 /nfs/dbraw/zinc/63/30/40/419633040.db2.gz VHVANMBRJPZSSM-JQWIXIFHSA-N 2 0 270.377 -0.656 20 0 CBADRP CO[C@@H](CN(CC[NH3+])C[C@@H](O)CO)C1CCCC1 ZINC000662285581 419570964 /nfs/dbraw/zinc/57/09/64/419570964.db2.gz DWNGHWCRTFAQBZ-OLZOCXBDSA-N 2 0 260.378 -0.195 20 0 CBADRP CN1CCC[C@H]([N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000662281934 419571153 /nfs/dbraw/zinc/57/11/53/419571153.db2.gz MOVXVMRYNXSVQY-STQMWFEESA-N 2 0 292.387 -0.006 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000236873076 419572095 /nfs/dbraw/zinc/57/20/95/419572095.db2.gz LCHIYFKJMGMPFN-STQMWFEESA-N 2 0 268.405 -0.133 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000236872178 419572490 /nfs/dbraw/zinc/57/24/90/419572490.db2.gz IAOQWIANPMCEPR-LBPRGKRZSA-N 2 0 254.378 -0.523 20 0 CBADRP CCCC[C@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000236793714 419572980 /nfs/dbraw/zinc/57/29/80/419572980.db2.gz HFQRWGIXUOPLTQ-LBPRGKRZSA-N 2 0 256.394 -0.085 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394384398 544580502 /nfs/dbraw/zinc/58/05/02/544580502.db2.gz JCWJRBQURFFMLA-STQMWFEESA-N 2 0 266.389 -0.365 20 0 CBADRP OCC1(NCCOC[C@@H]2CCCO2)CC[NH2+]CC1 ZINC000662285929 419572925 /nfs/dbraw/zinc/57/29/25/419572925.db2.gz ANVITGUPJFUPOF-LBPRGKRZSA-N 2 0 258.362 -0.114 20 0 CBADRP [NH3+]C[C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)CCCO1 ZINC000662283029 419573342 /nfs/dbraw/zinc/57/33/42/419573342.db2.gz ZQCINTITQDDMLL-NWDGAFQWSA-N 3 0 255.362 -0.443 20 0 CBADRP CNC(=O)CCC[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662278934 419573643 /nfs/dbraw/zinc/57/36/43/419573643.db2.gz OAIVQVOOVAQJCD-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@@]1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CC[NH2+]C1 ZINC000394381553 544581083 /nfs/dbraw/zinc/58/10/83/544581083.db2.gz MIKGWSHVDRVACV-TZMCWYRMSA-N 2 0 266.389 -0.508 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@H]1CCC[NH2+]1 ZINC000394382536 544581127 /nfs/dbraw/zinc/58/11/27/544581127.db2.gz RYIGJTTXXFRJBD-VXGBXAGGSA-N 2 0 252.362 -0.756 20 0 CBADRP COCC[N@H+](C)CCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000237256687 419578191 /nfs/dbraw/zinc/57/81/91/419578191.db2.gz KJKKLPLXARECAO-GFCCVEGCSA-N 2 0 273.377 -0.551 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394388155 544581470 /nfs/dbraw/zinc/58/14/70/544581470.db2.gz YBDQHIFFZJNSEB-QWHCGFSZSA-N 2 0 266.389 -0.508 20 0 CBADRP [NH3+]CCN(Cc1ccc2c(c1)C[NH2+]CC2)C[C@@H](O)CO ZINC000662289374 419581310 /nfs/dbraw/zinc/58/13/10/419581310.db2.gz ZVYOTZJMPYSACE-OAHLLOKOSA-N 2 0 279.384 -0.554 20 0 CBADRP C[C@@H](CNC(=O)[C@]1(C)CC[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000237609574 419584064 /nfs/dbraw/zinc/58/40/64/419584064.db2.gz ZPEWPAXGGYTTJB-DZGCQCFKSA-N 2 0 282.432 -0.014 20 0 CBADRP [NH3+]C1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CCCC1 ZINC000394387223 544581909 /nfs/dbraw/zinc/58/19/09/544581909.db2.gz SQNUKTWUACCULI-GFCCVEGCSA-N 2 0 266.389 -0.236 20 0 CBADRP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)C[C@H]21 ZINC000662315654 419584755 /nfs/dbraw/zinc/58/47/55/419584755.db2.gz ROHYTFZNPGOXLJ-XQHKEYJVSA-N 2 0 288.413 -0.270 20 0 CBADRP O=C(C[NH2+]CC1CC1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394388149 544582001 /nfs/dbraw/zinc/58/20/01/544582001.db2.gz XYZGZKOPXIENEH-ZDUSSCGKSA-N 2 0 266.389 -0.508 20 0 CBADRP O=C(CC[N@@H+]1CC[C@H]2COC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000662317506 419585358 /nfs/dbraw/zinc/58/53/58/419585358.db2.gz QIJYUBAUMNKXLU-STQMWFEESA-N 2 0 267.373 -0.223 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394381426 544582118 /nfs/dbraw/zinc/58/21/18/544582118.db2.gz RTENYEQVCAVWAB-CHWSQXEVSA-N 2 0 298.456 -0.412 20 0 CBADRP C[NH2+]C[C@](C)(O)CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662327806 419586146 /nfs/dbraw/zinc/58/61/46/419586146.db2.gz VRTSDECCGZIKGY-KGLIPLIRSA-N 2 0 273.421 -0.001 20 0 CBADRP [NH3+]CCN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338950 419588507 /nfs/dbraw/zinc/58/85/07/419588507.db2.gz XOBFITXDKTWFBS-LBPRGKRZSA-N 2 0 278.404 -0.043 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000662390542 419590897 /nfs/dbraw/zinc/59/08/97/419590897.db2.gz LXIIGEVLHANRIU-LBPRGKRZSA-N 2 0 272.393 -0.850 20 0 CBADRP COC[C@]1(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CCC[NH2+]1 ZINC000662562161 419639703 /nfs/dbraw/zinc/63/97/03/419639703.db2.gz GVOOAYPUBPDFOC-NTZNESFSSA-N 2 0 255.362 -0.001 20 0 CBADRP CC[C@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@@H]1[NH3+] ZINC000647498693 419591768 /nfs/dbraw/zinc/59/17/68/419591768.db2.gz NHNURCYSRAADGS-JQWIXIFHSA-N 2 0 280.372 -0.357 20 0 CBADRP C[C@H](NC(=O)c1cn(CC[NH3+])nn1)C1CC[NH+](C)CC1 ZINC000396442910 544582865 /nfs/dbraw/zinc/58/28/65/544582865.db2.gz ADOSYGZJJWVSQK-JTQLQIEISA-N 2 0 280.376 -0.303 20 0 CBADRP CC1(C)C[NH2+]CCN1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000647500447 419594029 /nfs/dbraw/zinc/59/40/29/419594029.db2.gz PKMLKYAJOSESKU-GFCCVEGCSA-N 2 0 268.405 -0.133 20 0 CBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000662403863 419595253 /nfs/dbraw/zinc/59/52/53/419595253.db2.gz BLCKLKGNPSPBSG-VXGBXAGGSA-N 2 0 296.415 -0.312 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCC[C@H]2O)CC1 ZINC000647521668 419595464 /nfs/dbraw/zinc/59/54/64/419595464.db2.gz UYVBGCBQUGLZEL-BFHYXJOUSA-N 2 0 271.405 -0.655 20 0 CBADRP C[N@H+](C[C@@H](O)CNC[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000647517308 419595530 /nfs/dbraw/zinc/59/55/30/419595530.db2.gz DHVOFBCQXBHMBW-KBPBESRZSA-N 2 0 271.405 -0.512 20 0 CBADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)C1(O)C[NH2+]C1 ZINC000662396727 419596304 /nfs/dbraw/zinc/59/63/04/419596304.db2.gz HFOPVBDUCNEDPC-JTQLQIEISA-N 2 0 265.313 -0.855 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662405923 419597226 /nfs/dbraw/zinc/59/72/26/419597226.db2.gz SFCDIKWFVNPCMS-UTUOFQBUSA-N 2 0 282.388 -0.573 20 0 CBADRP CC(C)(C)[C@H]([NH2+]CCC(=O)N1CC[NH2+]CC1)C(N)=O ZINC000262162138 419598232 /nfs/dbraw/zinc/59/82/32/419598232.db2.gz PVWZAIXHDGHFPH-LLVKDONJSA-N 2 0 270.377 -0.702 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(CO)CCC2)CC1 ZINC000647523290 419601386 /nfs/dbraw/zinc/60/13/86/419601386.db2.gz GIDVHPHTYIHPKJ-CYBMUJFWSA-N 2 0 271.405 -0.653 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)c1cn(CC[NH3+])nn1 ZINC000662430101 419602690 /nfs/dbraw/zinc/60/26/90/419602690.db2.gz UNVMYRPAJVIQJL-VIFPVBQESA-N 2 0 254.338 -0.516 20 0 CBADRP C[NH2+]C[C@@H](O)CNC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647526524 419604202 /nfs/dbraw/zinc/60/42/02/419604202.db2.gz APXABEDMIXEIAE-CABCVRRESA-N 2 0 281.400 -0.351 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H](O)C2CCC2)CC1 ZINC000647537075 419608842 /nfs/dbraw/zinc/60/88/42/419608842.db2.gz OKPSTHYXLFNBSN-ZIAGYGMSSA-N 2 0 271.405 -0.655 20 0 CBADRP CC(C)[NH2+]CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000662463424 419613860 /nfs/dbraw/zinc/61/38/60/419613860.db2.gz WPNCSSYFMUESMC-CQSZACIVSA-N 2 0 298.431 -0.493 20 0 CBADRP COC[C@]1(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC[NH2+]C1 ZINC000310865517 419618113 /nfs/dbraw/zinc/61/81/13/419618113.db2.gz RKWBPIXIEBYFJT-YPMHNXCESA-N 2 0 255.362 -0.177 20 0 CBADRP C[NH+](C)[C@@]1(CNC(=O)c2cn(CC[NH3+])nn2)CCSC1 ZINC000662488936 419622104 /nfs/dbraw/zinc/62/21/04/419622104.db2.gz BCEKGOVXYZCEQZ-GFCCVEGCSA-N 2 0 298.416 -0.596 20 0 CBADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647735493 419640749 /nfs/dbraw/zinc/64/07/49/419640749.db2.gz KTABZNCLXZKUBG-IMRBUKKESA-N 2 0 287.367 -0.105 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000662518726 419629455 /nfs/dbraw/zinc/62/94/55/419629455.db2.gz JJLBIRANCPDLRU-SDDRHHMPSA-N 2 0 255.362 -0.051 20 0 CBADRP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394377590 544579305 /nfs/dbraw/zinc/57/93/05/544579305.db2.gz DMIDEXCTFSWMSD-KGLIPLIRSA-N 2 0 280.416 -0.118 20 0 CBADRP CC(C)[NH2+]CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000662519782 419630466 /nfs/dbraw/zinc/63/04/66/419630466.db2.gz ZPYMWRUDKAYVJO-GFCCVEGCSA-N 2 0 254.378 -0.510 20 0 CBADRP C[NH+](C)CCCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662522681 419630558 /nfs/dbraw/zinc/63/05/58/419630558.db2.gz CEYVNKSQBQLFIK-UHFFFAOYSA-N 2 0 280.376 -0.116 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000662518727 419630825 /nfs/dbraw/zinc/63/08/25/419630825.db2.gz JJLBIRANCPDLRU-SRVKXCTJSA-N 2 0 255.362 -0.051 20 0 CBADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000662516316 419630876 /nfs/dbraw/zinc/63/08/76/419630876.db2.gz DYJVBBQXSCSBAW-VXGBXAGGSA-N 2 0 254.378 -0.510 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000647728280 419640917 /nfs/dbraw/zinc/64/09/17/419640917.db2.gz VYRFBHTXDAMNDA-GYSYKLTISA-N 2 0 280.372 -0.948 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000662632858 419661041 /nfs/dbraw/zinc/66/10/41/419661041.db2.gz VAXSQQZZIIJCIO-JTQLQIEISA-N 2 0 280.363 -0.031 20 0 CBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000647828572 419665098 /nfs/dbraw/zinc/66/50/98/419665098.db2.gz MVTHAJUBIFQYBU-UONOGXRCSA-N 2 0 299.415 -0.031 20 0 CBADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662658721 419668997 /nfs/dbraw/zinc/66/89/97/419668997.db2.gz JLPZKLPKVROEOL-NSHDSACASA-N 2 0 257.378 -0.053 20 0 CBADRP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)N1CCNC(=O)C1 ZINC000333629301 419669095 /nfs/dbraw/zinc/66/90/95/419669095.db2.gz ASBNXGZBYSAHNP-CYBMUJFWSA-N 2 0 294.399 -0.591 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000662658808 419669918 /nfs/dbraw/zinc/66/99/18/419669918.db2.gz FKGPYRNZJLPGFR-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP COc1cccc([C@H](CNC(=O)C2(O)C[NH2+]C2)[NH+](C)C)c1 ZINC000662662177 419672199 /nfs/dbraw/zinc/67/21/99/419672199.db2.gz AZVRWQVEOZMDEH-ZDUSSCGKSA-N 2 0 293.367 -0.252 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662663378 419674052 /nfs/dbraw/zinc/67/40/52/419674052.db2.gz DWJGFSCREVMCDQ-VXGBXAGGSA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000662668075 419674302 /nfs/dbraw/zinc/67/43/02/419674302.db2.gz ADPBBLWYRWXAQV-NWDGAFQWSA-N 2 0 255.362 -0.048 20 0 CBADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C1(O)C[NH2+]C1 ZINC000662663023 419674939 /nfs/dbraw/zinc/67/49/39/419674939.db2.gz BYQJCJJHOAXUTA-ZDUSSCGKSA-N 2 0 275.352 -0.289 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)C1(O)C[NH2+]C1)c1cccs1 ZINC000662661856 419675560 /nfs/dbraw/zinc/67/55/60/419675560.db2.gz KADNEMSBDIAKRK-VIFPVBQESA-N 2 0 269.370 -0.199 20 0 CBADRP O=C(N1CCC([NH+]2CCCCC2)CC1)C1(O)C[NH2+]C1 ZINC000662673422 419676608 /nfs/dbraw/zinc/67/66/08/419676608.db2.gz KSKSAVRGIRGCRD-UHFFFAOYSA-N 2 0 267.373 -0.202 20 0 CBADRP CC(=O)N1CC[C@]([NH3+])(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)C1 ZINC000647871215 419677229 /nfs/dbraw/zinc/67/72/29/419677229.db2.gz ZSTNNWKJDRNTSE-TZMCWYRMSA-N 2 0 284.404 -0.232 20 0 CBADRP C[NH+](C)CCOc1ccc(NC(=O)C2(O)C[NH2+]C2)cc1 ZINC000662673405 419677701 /nfs/dbraw/zinc/67/77/01/419677701.db2.gz JYALYCKIBCPZKZ-UHFFFAOYSA-N 2 0 279.340 -0.100 20 0 CBADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)C1(O)C[NH2+]C1 ZINC000662676537 419678325 /nfs/dbraw/zinc/67/83/25/419678325.db2.gz DRTPCJBWQGBOHB-UHFFFAOYSA-N 2 0 290.367 -0.504 20 0 CBADRP C[NH+](C)[C@H](CNC(=O)C1(O)C[NH2+]C1)c1ccsc1 ZINC000662678340 419678693 /nfs/dbraw/zinc/67/86/93/419678693.db2.gz FLLSSZZFWBLPGU-SNVBAGLBSA-N 2 0 269.370 -0.199 20 0 CBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC000662668261 419678834 /nfs/dbraw/zinc/67/88/34/419678834.db2.gz JWBIHQFKVJKPGU-MCIONIFRSA-N 2 0 299.415 -0.177 20 0 CBADRP [NH3+]CC12CC(C1)CN2C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000662681521 419681654 /nfs/dbraw/zinc/68/16/54/419681654.db2.gz HDDAFRDTLRGKFS-IQLKVPPVSA-N 2 0 280.372 -0.806 20 0 CBADRP C[N@H+](CCNC(=O)C1(O)C[NH2+]C1)C1CCCCC1 ZINC000662680930 419681698 /nfs/dbraw/zinc/68/16/98/419681698.db2.gz OQKJOOOTUFPADR-UHFFFAOYSA-N 2 0 255.362 -0.299 20 0 CBADRP CN1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)[C@H](C[NH3+])C1 ZINC000647873514 419681933 /nfs/dbraw/zinc/68/19/33/419681933.db2.gz UYDHXLGDBPGIJB-MNOVXSKESA-N 2 0 277.372 -0.069 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC[N@@H+]1C ZINC000647874485 419681996 /nfs/dbraw/zinc/68/19/96/419681996.db2.gz ZSXAAOBIVIZQEM-GRYCIOLGSA-N 3 0 254.378 -0.572 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000647882234 419684073 /nfs/dbraw/zinc/68/40/73/419684073.db2.gz ZICWKJKKUCDJFR-NSHDSACASA-N 2 0 256.350 -0.549 20 0 CBADRP CCC[NH+](CCC)CCCNC(=O)C1(O)C[NH2+]C1 ZINC000662693035 419685599 /nfs/dbraw/zinc/68/55/99/419685599.db2.gz NAKNJEGKZNDLIL-UHFFFAOYSA-N 2 0 257.378 -0.051 20 0 CBADRP CC(C)(C)CC[NH+]1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662690004 419685773 /nfs/dbraw/zinc/68/57/73/419685773.db2.gz XLKWNMBLIFEAPV-UHFFFAOYSA-N 2 0 269.389 -0.099 20 0 CBADRP C[C@H]1CCC[C@](CNC(=O)C2(O)C[NH2+]C2)([NH+](C)C)C1 ZINC000662693761 419685932 /nfs/dbraw/zinc/68/59/32/419685932.db2.gz XRILZHLKTMNUHD-AAEUAGOBSA-N 2 0 269.389 -0.053 20 0 CBADRP CCN1C(=O)[C@@H]2CN(C[C@@H]3CC[NH2+]C3)CCN2C1=O ZINC000647891465 419686100 /nfs/dbraw/zinc/68/61/00/419686100.db2.gz HTJFOSZVSRCEQH-MNOVXSKESA-N 2 0 266.345 -0.436 20 0 CBADRP CO[C@H]1CCN(CCC(=O)N2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000647907029 419687706 /nfs/dbraw/zinc/68/77/06/419687706.db2.gz ZSEPPLBSIDYLLF-STQMWFEESA-N 3 0 284.404 -0.754 20 0 CBADRP O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N1CCNC(=O)C1 ZINC000647901706 419688040 /nfs/dbraw/zinc/68/80/40/419688040.db2.gz UEHVEJGEHBRAEM-QWHCGFSZSA-N 2 0 294.399 -0.591 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662699538 419688626 /nfs/dbraw/zinc/68/86/26/419688626.db2.gz BYSBLLRIVGLEAQ-NSHDSACASA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1(O)C[NH2+]C1 ZINC000662695827 419690448 /nfs/dbraw/zinc/69/04/48/419690448.db2.gz PZMPPIVATIYIMA-IJLUTSLNSA-N 2 0 269.389 -0.197 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)NCCN1CC[NH2+]CC1 ZINC000417297947 544590790 /nfs/dbraw/zinc/59/07/90/544590790.db2.gz JUIMYHJAUQSSHC-ZDUSSCGKSA-N 2 0 285.436 -0.079 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000662702841 419692678 /nfs/dbraw/zinc/69/26/78/419692678.db2.gz NWBUVHYNCNTJQP-DLOVCJGASA-N 2 0 253.346 -0.297 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662703216 419692797 /nfs/dbraw/zinc/69/27/97/419692797.db2.gz GWIIYLCXHRHSSU-VXGBXAGGSA-N 2 0 282.388 -0.545 20 0 CBADRP C[NH2+]CCN(C)C(=O)NCC[N@H+](C)CCCOC ZINC000417761023 544590912 /nfs/dbraw/zinc/59/09/12/544590912.db2.gz YLYKTVMFQJWUPW-UHFFFAOYSA-N 2 0 260.382 -0.185 20 0 CBADRP C[C@@H](NC(=O)[C@@]1(O)CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000662703870 419694905 /nfs/dbraw/zinc/69/49/05/419694905.db2.gz PKHSUAUVHHZJOI-BXUZGUMPSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@@H](NC(=O)[C@]1(O)CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000662703873 419695072 /nfs/dbraw/zinc/69/50/72/419695072.db2.gz PKHSUAUVHHZJOI-RISCZKNCSA-N 2 0 269.389 -0.053 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000662703010 419695451 /nfs/dbraw/zinc/69/54/51/419695451.db2.gz GNVLBTXLVYYXNP-LLVKDONJSA-N 2 0 280.376 -0.159 20 0 CBADRP C[C@H](NC(=O)[C@@]1(O)CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000662703874 419695482 /nfs/dbraw/zinc/69/54/82/419695482.db2.gz PKHSUAUVHHZJOI-SMDDNHRTSA-N 2 0 269.389 -0.053 20 0 CBADRP Cn1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1=O ZINC000647966608 419697850 /nfs/dbraw/zinc/69/78/50/419697850.db2.gz QLYHGNMIKFITSV-CQSZACIVSA-N 2 0 276.384 -0.135 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000662717688 419699748 /nfs/dbraw/zinc/69/97/48/419699748.db2.gz CEFSEOCMSBIFNY-XIRUVYRFSA-N 2 0 275.356 -0.032 20 0 CBADRP CS(=O)(=O)NCC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647989091 419703418 /nfs/dbraw/zinc/70/34/18/419703418.db2.gz HGGUGFSSVFIFFN-LBPRGKRZSA-N 2 0 275.418 -0.143 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662743281 419705409 /nfs/dbraw/zinc/70/54/09/419705409.db2.gz NFZDEYYYIAVILY-NEPJUHHUSA-N 2 0 273.377 -0.565 20 0 CBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C1(O)C[NH2+]C1 ZINC000662744316 419706707 /nfs/dbraw/zinc/70/67/07/419706707.db2.gz CBWABGXCVLULQN-NSHDSACASA-N 2 0 255.362 -0.347 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C[N@@H+]1C1CC1 ZINC000647995924 419707425 /nfs/dbraw/zinc/70/74/25/419707425.db2.gz BQXQBISPZGVBCH-XCCSTKFXSA-N 2 0 296.415 -0.072 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662730433 419708018 /nfs/dbraw/zinc/70/80/18/419708018.db2.gz FAUYOKIYHPQCEK-MNOVXSKESA-N 2 0 270.377 -0.656 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662758099 419709685 /nfs/dbraw/zinc/70/96/85/419709685.db2.gz RLZOGIIHHFMRCT-MNOVXSKESA-N 2 0 280.376 -0.083 20 0 CBADRP O=C(N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C1(O)C[NH2+]C1 ZINC000662762496 419709692 /nfs/dbraw/zinc/70/96/92/419709692.db2.gz WKAYLVDDVUPCPV-WDEREUQCSA-N 2 0 253.346 -0.689 20 0 CBADRP CCC[C@](C)([NH3+])C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662754769 419710239 /nfs/dbraw/zinc/71/02/39/419710239.db2.gz VFAIPUNRPCYHMD-LBPRGKRZSA-N 2 0 267.333 -0.225 20 0 CBADRP C[C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C[C@H]1[NH3+] ZINC000662570929 419642804 /nfs/dbraw/zinc/64/28/04/419642804.db2.gz BXNLCCFKZNEUAJ-WCABBAIRSA-N 2 0 263.345 -0.094 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC[N@@H+]1C ZINC000647728222 419643630 /nfs/dbraw/zinc/64/36/30/419643630.db2.gz NBKKCRLNLMBEAI-FRRDWIJNSA-N 2 0 296.415 -0.360 20 0 CBADRP CC1(CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC[NH2+]CC1 ZINC000662765009 419713600 /nfs/dbraw/zinc/71/36/00/419713600.db2.gz PZFSZFJZIPAFRC-GHMZBOCLSA-N 2 0 255.362 -0.144 20 0 CBADRP C[C@@H]([NH3+])C1CCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000647757267 419648154 /nfs/dbraw/zinc/64/81/54/419648154.db2.gz FVJJXKZQRJXPMC-SNVBAGLBSA-N 2 0 255.362 -0.049 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CCCC[NH2+]1 ZINC000647770150 419650624 /nfs/dbraw/zinc/65/06/24/419650624.db2.gz ZOPUSXRYCPFTIG-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000647770147 419652357 /nfs/dbraw/zinc/65/23/57/419652357.db2.gz ZNHXGCKZEQIKLQ-GFCCVEGCSA-N 2 0 254.378 -0.508 20 0 CBADRP CCC[C@](C)([NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647769614 419652712 /nfs/dbraw/zinc/65/27/12/419652712.db2.gz BLAPFJWGSUIBPV-ZDUSSCGKSA-N 2 0 256.394 -0.133 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000662622845 419653735 /nfs/dbraw/zinc/65/37/35/419653735.db2.gz UUVLCVVVONORKF-GHMZBOCLSA-N 2 0 255.362 -0.036 20 0 CBADRP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000405268289 544588310 /nfs/dbraw/zinc/58/83/10/544588310.db2.gz SNOXPZMXDXSRJG-MJBXVCDLSA-N 2 0 271.405 -0.562 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000647777412 419655927 /nfs/dbraw/zinc/65/59/27/419655927.db2.gz OZJSWTJLNQISHB-LLVKDONJSA-N 2 0 254.378 -0.652 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCN(C)CCC[NH+](C)C ZINC000662632603 419657008 /nfs/dbraw/zinc/65/70/08/419657008.db2.gz REDFSKUYLGOFGF-GFCCVEGCSA-N 2 0 258.410 -0.031 20 0 CBADRP C[NH2+]C[C@H](C)CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000647806999 419657135 /nfs/dbraw/zinc/65/71/35/419657135.db2.gz DTDUIFAECSQQRW-QWRGUYRKSA-N 2 0 280.376 -0.212 20 0 CBADRP O=C(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CC[NH2+]CC1 ZINC000647799726 419659184 /nfs/dbraw/zinc/65/91/84/419659184.db2.gz PGCAJXZZONCFFS-JHJVBQTASA-N 3 0 266.389 -0.604 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000662633689 419659415 /nfs/dbraw/zinc/65/94/15/419659415.db2.gz NXSQNLXYVUUNCO-CYBMUJFWSA-N 2 0 286.420 -0.635 20 0 CBADRP O=C(NC1CC([NH+]2CCCCC2)C1)C1(O)C[NH2+]C1 ZINC000662791655 419727846 /nfs/dbraw/zinc/72/78/46/419727846.db2.gz CAAZZHAUOKGIGP-UHFFFAOYSA-N 2 0 253.346 -0.546 20 0 CBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662789728 419728076 /nfs/dbraw/zinc/72/80/76/419728076.db2.gz DHJHWYCZLYLDBP-JOCQHMNTSA-N 2 0 268.405 -0.180 20 0 CBADRP [NH3+]CCOCC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000648107127 419730633 /nfs/dbraw/zinc/73/06/33/419730633.db2.gz ZRCOTZXOGRQEHA-JTQLQIEISA-N 2 0 264.329 -0.189 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000662796856 419730780 /nfs/dbraw/zinc/73/07/80/419730780.db2.gz CUILZYIYVHYQQN-NEPJUHHUSA-N 2 0 271.361 -0.811 20 0 CBADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)[C@H]1C[NH2+]CCO1 ZINC000648106697 419732523 /nfs/dbraw/zinc/73/25/23/419732523.db2.gz NZLLFNORCGAEBM-GFCCVEGCSA-N 2 0 262.313 -0.346 20 0 CBADRP CC1(OCC(=O)N2CC[C@]3(CC[NH2+]C3)C2)C[NH2+]C1 ZINC000648110075 419735663 /nfs/dbraw/zinc/73/56/63/419735663.db2.gz XBYMCSSSBWSWOQ-ZDUSSCGKSA-N 2 0 253.346 -0.423 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2CCO[C@H]2C[NH3+])C[C@@]1(C)C[NH3+] ZINC000662813610 419735904 /nfs/dbraw/zinc/73/59/04/419735904.db2.gz AXEMKBNCWIWQQB-MPPDQPJWSA-N 2 0 255.362 -0.207 20 0 CBADRP [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662813271 419737785 /nfs/dbraw/zinc/73/77/85/419737785.db2.gz ISPHLKQAUIUCJY-NWDGAFQWSA-N 2 0 283.372 -0.934 20 0 CBADRP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])C[C@@]1(C)C[NH3+] ZINC000662813608 419737936 /nfs/dbraw/zinc/73/79/36/419737936.db2.gz AXEMKBNCWIWQQB-HNCHTBHHSA-N 2 0 255.362 -0.207 20 0 CBADRP CC(C)[C@H]1CN(C(=O)COC2(C)C[NH2+]C2)CC[NH2+]1 ZINC000648121713 419738368 /nfs/dbraw/zinc/73/83/68/419738368.db2.gz UHYUJWNQVZOPLZ-LLVKDONJSA-N 2 0 255.362 -0.179 20 0 CBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662832107 419740426 /nfs/dbraw/zinc/74/04/26/419740426.db2.gz DWRXZERKDIZELK-KBPBESRZSA-N 2 0 297.399 -0.312 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000662829327 419740498 /nfs/dbraw/zinc/74/04/98/419740498.db2.gz RLAIWIVHSCJVNX-MNXVOIDGSA-N 2 0 267.373 -0.062 20 0 CBADRP C[N@@H+]1CC[C@](N)(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000648124345 419742187 /nfs/dbraw/zinc/74/21/87/419742187.db2.gz XWPRABGMAWEYST-NQBHXWOUSA-N 2 0 252.362 -0.770 20 0 CBADRP CC[C@H]1CN(C(=O)COC2(C)C[NH2+]C2)CC[C@H]1[NH3+] ZINC000648126511 419743084 /nfs/dbraw/zinc/74/30/84/419743084.db2.gz LLZOKKMQPTTWOC-WDEREUQCSA-N 2 0 255.362 -0.049 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662846711 419743498 /nfs/dbraw/zinc/74/34/98/419743498.db2.gz TUAIEPXLJQDMGO-SNVBAGLBSA-N 2 0 255.362 -0.443 20 0 CBADRP [NH3+]CCn1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)nn1 ZINC000662835728 419743797 /nfs/dbraw/zinc/74/37/97/419743797.db2.gz RVPGGLGRVAQFRF-YPMHNXCESA-N 2 0 292.387 -0.017 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662836965 419745451 /nfs/dbraw/zinc/74/54/51/419745451.db2.gz FCEVSDWCVBNOSB-WDEREUQCSA-N 2 0 268.361 -0.806 20 0 CBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000648136711 419747580 /nfs/dbraw/zinc/74/75/80/419747580.db2.gz FBROBTMPNZFLGG-JFGNBEQYSA-N 2 0 255.362 -0.132 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)COC1(C)C[NH2+]C1 ZINC000662857535 419750395 /nfs/dbraw/zinc/75/03/95/419750395.db2.gz OCUKQHNKGDRZDZ-UHFFFAOYSA-N 2 0 286.420 -0.635 20 0 CBADRP CC1(OCC(=O)N[C@@H]2CC23CC[NH2+]CC3)C[NH2+]C1 ZINC000648140538 419752575 /nfs/dbraw/zinc/75/25/75/419752575.db2.gz YYACGIMTPBYGOR-SNVBAGLBSA-N 2 0 253.346 -0.377 20 0 CBADRP CC1(OCC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C[NH2+]C1 ZINC000648141392 419752776 /nfs/dbraw/zinc/75/27/76/419752776.db2.gz GRSZKWSBKGVWGD-WDEREUQCSA-N 2 0 253.346 -0.425 20 0 CBADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cnn1C ZINC000648140148 419753083 /nfs/dbraw/zinc/75/30/83/419753083.db2.gz FUSJWANCYLJJAV-DGTMBMJNSA-N 2 0 289.383 -0.634 20 0 CBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC2([NH3+])CCCC2)CC1=O ZINC000662862608 419758220 /nfs/dbraw/zinc/75/82/20/419758220.db2.gz DJJQFVHAAGUVLF-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000662867374 419758533 /nfs/dbraw/zinc/75/85/33/419758533.db2.gz KXZICKUFQWZYGO-CHWSQXEVSA-N 2 0 290.367 -0.677 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000648150070 419758836 /nfs/dbraw/zinc/75/88/36/419758836.db2.gz UVLFQSTZFRMOQH-ITGUQSILSA-N 2 0 267.373 -0.368 20 0 CBADRP CC1(OCC(=O)N[C@H](CC[NH3+])C(F)(F)F)C[NH2+]C1 ZINC000648148374 419759449 /nfs/dbraw/zinc/75/94/49/419759449.db2.gz ARTBCDRPWKSSIV-SSDOTTSWSA-N 2 0 269.267 -0.239 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000431021338 544593384 /nfs/dbraw/zinc/59/33/84/544593384.db2.gz IMRJWLUSLDPQPU-UPJWGTAASA-N 2 0 268.405 -0.134 20 0 CBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)COC3(C)C[NH2+]C3)[C@@H]2C1 ZINC000648168926 419762648 /nfs/dbraw/zinc/76/26/48/419762648.db2.gz HOVKURKJIYRRJO-VXGBXAGGSA-N 2 0 267.373 -0.083 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000662907345 419766218 /nfs/dbraw/zinc/76/62/18/419766218.db2.gz SYBZQBLHXRTEAQ-UMVBOHGHSA-N 2 0 278.400 -0.508 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000662907336 419767804 /nfs/dbraw/zinc/76/78/04/419767804.db2.gz SYBZQBLHXRTEAQ-IPYPFGDCSA-N 2 0 278.400 -0.508 20 0 CBADRP CC[C@H]([NH2+]C)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000662906370 419768132 /nfs/dbraw/zinc/76/81/32/419768132.db2.gz IYBLOSGWAOPJHW-RYUDHWBXSA-N 2 0 254.378 -0.510 20 0 CBADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CC[NH2+]1 ZINC000662905785 419768415 /nfs/dbraw/zinc/76/84/15/419768415.db2.gz FSGUDOGHWAKQQK-IHRRRGAJSA-N 2 0 280.416 -0.119 20 0 CBADRP O=C([C@H]1CCC[NH2+]1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000648177939 419769115 /nfs/dbraw/zinc/76/91/15/419769115.db2.gz CKTZAQINQWVQGR-UPJWGTAASA-N 2 0 279.384 -0.035 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000662906407 419769665 /nfs/dbraw/zinc/76/96/65/419769665.db2.gz KAQSIDNECDUCIN-IIAWOOMASA-N 2 0 292.427 -0.118 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000648190146 419770832 /nfs/dbraw/zinc/77/08/32/419770832.db2.gz BUNDIYUBPFUUSE-HBNTYKKESA-N 2 0 270.377 -0.513 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000648181076 419771060 /nfs/dbraw/zinc/77/10/60/419771060.db2.gz YVHUJFVXZGIZKU-MNOVXSKESA-N 2 0 253.346 -0.234 20 0 CBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000662921782 419775322 /nfs/dbraw/zinc/77/53/22/419775322.db2.gz DWHCFRYZMYYVHV-UHFFFAOYSA-N 2 0 284.404 -0.264 20 0 CBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000662930383 419782194 /nfs/dbraw/zinc/78/21/94/419782194.db2.gz PMYGSSRSFWLUQD-UHFFFAOYSA-N 2 0 284.404 -0.264 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662773248 419716703 /nfs/dbraw/zinc/71/67/03/419716703.db2.gz IIJCIZBFFZARKO-IJLUTSLNSA-N 2 0 282.388 -0.430 20 0 CBADRP CC(C)([NH3+])c1cc(C(=O)NC[C@H]2C[NH2+]CCCO2)on1 ZINC000662782551 419719197 /nfs/dbraw/zinc/71/91/97/419719197.db2.gz FONXQSBCNOAIDL-SECBINFHSA-N 2 0 282.344 -0.023 20 0 CBADRP C[NH+](C)CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662778361 419719494 /nfs/dbraw/zinc/71/94/94/419719494.db2.gz GXABJFYMQOOMAQ-LLVKDONJSA-N 2 0 280.376 -0.116 20 0 CBADRP [NH3+][C@H]1C[C@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000662779297 419720291 /nfs/dbraw/zinc/72/02/91/419720291.db2.gz JFEAOOGMEPDNGX-SRVKXCTJSA-N 2 0 252.362 -0.770 20 0 CBADRP O=C(N1CCC([C@H]2CC[NH2+]C2)CC1)C1(O)C[NH2+]C1 ZINC000662779861 419721451 /nfs/dbraw/zinc/72/14/51/419721451.db2.gz MXMZMUQLHICMCE-NSHDSACASA-N 2 0 253.346 -0.831 20 0 CBADRP O=C(N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)C1(O)C[NH2+]C1 ZINC000662783984 419723548 /nfs/dbraw/zinc/72/35/48/419723548.db2.gz OEEPSMCJHBWZFF-NWDGAFQWSA-N 2 0 267.373 -0.441 20 0 CBADRP COCC[N@@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662788145 419723653 /nfs/dbraw/zinc/72/36/53/419723653.db2.gz XVTYBXQDOXUWRX-OLZOCXBDSA-N 2 0 285.388 -0.469 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CCO1 ZINC000662974082 419800890 /nfs/dbraw/zinc/80/08/90/419800890.db2.gz ZVSPPUGZONPQAL-RDBSUJKOSA-N 2 0 299.415 -0.081 20 0 CBADRP C[C@]1(NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC[NH2+]C1 ZINC000663010885 419810008 /nfs/dbraw/zinc/81/00/08/419810008.db2.gz LOPBGHZENLRBFW-RNCFNFMXSA-N 2 0 263.345 -0.032 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000518471632 544601490 /nfs/dbraw/zinc/60/14/90/544601490.db2.gz XBYLKIMXNUIVQO-UONOGXRCSA-N 2 0 273.421 -0.191 20 0 CBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000518500079 544601604 /nfs/dbraw/zinc/60/16/04/544601604.db2.gz ZBAMPBXTQOGYRT-RWMBFGLXSA-N 2 0 283.420 -0.199 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351561541 419822255 /nfs/dbraw/zinc/82/22/55/419822255.db2.gz YYHOWTPRTBOOPE-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351516523 419822552 /nfs/dbraw/zinc/82/25/52/419822552.db2.gz GFIUBMABENOZSJ-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[NH+](CC)CC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000649271754 419858996 /nfs/dbraw/zinc/85/89/96/419858996.db2.gz WCJGAGIRARCTIS-UHFFFAOYSA-N 2 0 256.394 -0.308 20 0 CBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CCOC2(C[NH2+]C2)C1 ZINC000663217069 419827955 /nfs/dbraw/zinc/82/79/55/419827955.db2.gz BKYQKDQMEXIENQ-SNVBAGLBSA-N 2 0 271.386 -0.718 20 0 CBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000649076015 419834484 /nfs/dbraw/zinc/83/44/84/419834484.db2.gz OPQQHPCSCXOYMU-RYUDHWBXSA-N 2 0 282.388 -0.341 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2CCC[N@H+](C)C2)C[C@@H]1O ZINC000663773620 419859284 /nfs/dbraw/zinc/85/92/84/419859284.db2.gz HQQUYTQANKGJFC-WOPDTQHZSA-N 2 0 270.377 -0.603 20 0 CBADRP CCCC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000353594843 419838519 /nfs/dbraw/zinc/83/85/19/419838519.db2.gz YYUJGHKXXFNBLP-VXGBXAGGSA-N 2 0 284.404 -0.040 20 0 CBADRP CNC(=O)CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000663462951 419840817 /nfs/dbraw/zinc/84/08/17/419840817.db2.gz IYPUFRDSLUXRFL-NSHDSACASA-N 2 0 287.408 -0.696 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000649274623 419859573 /nfs/dbraw/zinc/85/95/73/419859573.db2.gz SGSYVVRVMKZRNV-KBPBESRZSA-N 2 0 298.431 -0.411 20 0 CBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000662946035 419790904 /nfs/dbraw/zinc/79/09/04/419790904.db2.gz MFUMEEZTWMQPTN-GFCCVEGCSA-N 2 0 284.404 -0.217 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000662962294 419794915 /nfs/dbraw/zinc/79/49/15/419794915.db2.gz FKUHXEOYHURRPB-UHFFFAOYSA-N 2 0 284.404 -0.262 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000662966277 419795435 /nfs/dbraw/zinc/79/54/35/419795435.db2.gz WQGVCEGQTLFUSB-DTWKUNHWSA-N 2 0 251.334 -0.176 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CCO1 ZINC000662972527 419797637 /nfs/dbraw/zinc/79/76/37/419797637.db2.gz KGOOBOWNZUHSIB-OLZOCXBDSA-N 2 0 285.388 -0.456 20 0 CBADRP C[C@@H]1[C@H](C(=O)NCCN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000648721514 419798449 /nfs/dbraw/zinc/79/84/49/419798449.db2.gz TYGKUNBZYXIALT-CHWSQXEVSA-N 2 0 268.405 -0.310 20 0 CBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CCO1 ZINC000662972526 419798653 /nfs/dbraw/zinc/79/86/53/419798653.db2.gz KGOOBOWNZUHSIB-CHWSQXEVSA-N 2 0 285.388 -0.456 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662968865 419799329 /nfs/dbraw/zinc/79/93/29/419799329.db2.gz KTXSCNAUSDEEQW-QWRGUYRKSA-N 2 0 280.376 -0.070 20 0 CBADRP O=C(NCCCC[NH+]1CCOCC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649294954 419867379 /nfs/dbraw/zinc/86/73/79/419867379.db2.gz XDUCUECZERGIDA-ITGUQSILSA-N 2 0 267.373 -0.320 20 0 CBADRP COCC[NH+]1CCC(NC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649304966 419870318 /nfs/dbraw/zinc/87/03/18/419870318.db2.gz SJLIWJNRYUTDGI-UHFFFAOYSA-N 2 0 285.388 -0.408 20 0 CBADRP COCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649304926 419870793 /nfs/dbraw/zinc/87/07/93/419870793.db2.gz NMLXTTWQZCONSF-RTXFEEFZSA-N 2 0 267.373 -0.036 20 0 CBADRP C[C@H](NC(=O)[C@@]1(N)CC[N@H+](C)C1)C1CC[NH+](C)CC1 ZINC000649314750 419879724 /nfs/dbraw/zinc/87/97/24/419879724.db2.gz OBWSADNAKSPXLL-SMDDNHRTSA-N 2 0 268.405 -0.134 20 0 CBADRP C[C@@H](NC(=O)[C@@]1(N)CC[N@H+](C)C1)C1CC[NH+](C)CC1 ZINC000649314747 419880009 /nfs/dbraw/zinc/88/00/09/419880009.db2.gz OBWSADNAKSPXLL-BXUZGUMPSA-N 2 0 268.405 -0.134 20 0 CBADRP CC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000649320995 419882044 /nfs/dbraw/zinc/88/20/44/419882044.db2.gz HZMPSBWPTFXAPW-GRYCIOLGSA-N 2 0 255.362 -0.219 20 0 CBADRP CC1(OCC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[NH2+]C1 ZINC000649320894 419882681 /nfs/dbraw/zinc/88/26/81/419882681.db2.gz DJLSINHCRVQGBY-OLZOCXBDSA-N 2 0 297.399 -0.578 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649343153 419897750 /nfs/dbraw/zinc/89/77/50/419897750.db2.gz JUNZCJCNMQNVGA-ITGUQSILSA-N 2 0 267.373 -0.321 20 0 CBADRP [NH3+]CCOCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000649321073 419884557 /nfs/dbraw/zinc/88/45/57/419884557.db2.gz KZDDUQKMOIORRE-NEPJUHHUSA-N 2 0 271.361 -0.981 20 0 CBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000649321265 419884681 /nfs/dbraw/zinc/88/46/81/419884681.db2.gz QQFUQRMQWSFNCT-ZUWCUPBKSA-N 2 0 279.384 -0.491 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000649321019 419884858 /nfs/dbraw/zinc/88/48/58/419884858.db2.gz IOCPPBHUEYQMCS-RNJOBUHISA-N 2 0 267.373 -0.219 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)N[C@H]2CCC[N@H+](C)C2)C[C@@H]1O ZINC000663773619 419860108 /nfs/dbraw/zinc/86/01/08/419860108.db2.gz HQQUYTQANKGJFC-SRVKXCTJSA-N 2 0 270.377 -0.603 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000666922362 544650351 /nfs/dbraw/zinc/65/03/51/544650351.db2.gz OYOVNTZBPXLILP-AGIUHOORSA-N 2 0 284.404 -0.213 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649344573 419901277 /nfs/dbraw/zinc/90/12/77/419901277.db2.gz DQANFDFXDWPGER-WUHRBBMRSA-N 2 0 269.389 -0.075 20 0 CBADRP COC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649343239 419901359 /nfs/dbraw/zinc/90/13/59/419901359.db2.gz RCILXIUHEPFYGL-RTXFEEFZSA-N 2 0 267.373 -0.036 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000649363110 419903181 /nfs/dbraw/zinc/90/31/81/419903181.db2.gz VTBDZXSBMZJXMM-CYBMUJFWSA-N 2 0 280.416 -0.118 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)COC1(C)C[NH2+]C1 ZINC000649352109 419903889 /nfs/dbraw/zinc/90/38/89/419903889.db2.gz RZERIOKKMBRFCB-GFCCVEGCSA-N 2 0 284.404 -0.883 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649352914 419904171 /nfs/dbraw/zinc/90/41/71/419904171.db2.gz UFRFGFQNYKSSQZ-KXNHARMFSA-N 2 0 252.362 -0.901 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649352160 419904640 /nfs/dbraw/zinc/90/46/40/419904640.db2.gz XXGFOZDXLALBID-WUHRBBMRSA-N 2 0 266.389 -0.796 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)CCC[N@@H+]1C ZINC000358658678 419908707 /nfs/dbraw/zinc/90/87/07/419908707.db2.gz DYCZGTYJVMGORC-MBNYWOFBSA-N 2 0 284.404 -0.165 20 0 CBADRP OCC[N@H+](CC[C@@H]1CC[NH2+]C1)CCN1CCOCC1 ZINC000649411782 419909433 /nfs/dbraw/zinc/90/94/33/419909433.db2.gz BNNYCHYPOPYTES-AWEZNQCLSA-N 2 0 271.405 -0.388 20 0 CBADRP C[C@@H]1[C@@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)CCC[N@@H+]1C ZINC000358658675 419910447 /nfs/dbraw/zinc/91/04/47/419910447.db2.gz DYCZGTYJVMGORC-DYEKYZERSA-N 2 0 284.404 -0.165 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358680604 419912918 /nfs/dbraw/zinc/91/29/18/419912918.db2.gz AZDZMGHPRMVKBR-YPMHNXCESA-N 2 0 272.393 -0.308 20 0 CBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000664727827 419914112 /nfs/dbraw/zinc/91/41/12/419914112.db2.gz QZJFIRVAWVVUTH-MNOVXSKESA-N 2 0 253.346 -0.425 20 0 CBADRP C[C@@]1(C(=O)N2CCOC3(C[NH2+]C3)C2)CCC[NH2+]C1 ZINC000664727493 419914341 /nfs/dbraw/zinc/91/43/41/419914341.db2.gz KMSHHSKWNKBEBC-GFCCVEGCSA-N 2 0 253.346 -0.423 20 0 CBADRP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCOC2(C[NH2+]C2)C1 ZINC000664724111 419914640 /nfs/dbraw/zinc/91/46/40/419914640.db2.gz CCXSSYHCAXWEHY-AWEZNQCLSA-N 2 0 287.363 -0.098 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)C1 ZINC000668658016 544712965 /nfs/dbraw/zinc/71/29/65/544712965.db2.gz CMKSJSMYJIVCTP-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669452007 544749836 /nfs/dbraw/zinc/74/98/36/544749836.db2.gz NSHMUDYZHVKHDK-STQMWFEESA-N 2 0 284.404 -0.042 20 0 CBADRP CC(C)(C(=O)N[C@@H]1CCC[C@H]1C[NH3+])N1CC[NH2+]CC1 ZINC000669511500 544750856 /nfs/dbraw/zinc/75/08/56/544750856.db2.gz PQVZROJRGHNVJK-NWDGAFQWSA-N 2 0 268.405 -0.086 20 0 CBADRP CC(C)(C(=O)N[C@H]1CCC[C@H]1C[NH3+])N1CC[NH2+]CC1 ZINC000669511501 544751204 /nfs/dbraw/zinc/75/12/04/544751204.db2.gz PQVZROJRGHNVJK-RYUDHWBXSA-N 2 0 268.405 -0.086 20 0 CBADRP CN1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000669512576 544751620 /nfs/dbraw/zinc/75/16/20/544751620.db2.gz FDUZYRVFWJKQRN-RYUDHWBXSA-N 2 0 254.378 -0.380 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)CCO1 ZINC000669512836 544752315 /nfs/dbraw/zinc/75/23/15/544752315.db2.gz ZRGQXQUYUCMWTJ-RHYQMDGZSA-N 2 0 255.362 -0.051 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C[N@@H+]1C1CC1 ZINC000669524698 544752728 /nfs/dbraw/zinc/75/27/28/544752728.db2.gz ZIANSXUTKKJTKZ-MBNYWOFBSA-N 2 0 295.431 -0.104 20 0 CBADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000671628001 544827477 /nfs/dbraw/zinc/82/74/77/544827477.db2.gz AKLJPINGZNRWAW-XQQFMLRXSA-N 2 0 269.389 -0.053 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000671820983 544835399 /nfs/dbraw/zinc/83/53/99/544835399.db2.gz XSMFTIVSBHJKFB-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP NS(=O)(=O)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359222057 419949550 /nfs/dbraw/zinc/94/95/50/419949550.db2.gz PNCQSSFSWJZIHL-UHFFFAOYSA-N 2 0 276.406 -0.803 20 0 CBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000359227165 419952262 /nfs/dbraw/zinc/95/22/62/419952262.db2.gz VHWSSFRCROPDMA-DGCLKSJQSA-N 2 0 284.404 -0.314 20 0 CBADRP O=C(CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCOCC1 ZINC000359274060 419953460 /nfs/dbraw/zinc/95/34/60/419953460.db2.gz AQETZVSJBGYKNT-RYUDHWBXSA-N 2 0 253.346 -0.614 20 0 CBADRP CC[NH+]1CCN(CCC(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359428797 419963720 /nfs/dbraw/zinc/96/37/20/419963720.db2.gz HVIISBGSSRVHED-KBPBESRZSA-N 2 0 280.416 -0.308 20 0 CBADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)CC[NH2+]1 ZINC000650710251 419965440 /nfs/dbraw/zinc/96/54/40/419965440.db2.gz JNIRMUMNBZSTIT-UTUOFQBUSA-N 2 0 275.418 -0.002 20 0 CBADRP CCO[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@H]1C[NH3+] ZINC000650714421 419965945 /nfs/dbraw/zinc/96/59/45/419965945.db2.gz BPTODCDPTNPOQA-MGPQQGTHSA-N 3 0 298.431 -0.521 20 0 CBADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)CC[NH2+]1 ZINC000650710249 419967128 /nfs/dbraw/zinc/96/71/28/419967128.db2.gz JNIRMUMNBZSTIT-GRYCIOLGSA-N 2 0 275.418 -0.002 20 0 CBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000650876011 419970973 /nfs/dbraw/zinc/97/09/73/419970973.db2.gz NWOIDWVHWVGPMJ-BXUZGUMPSA-N 2 0 294.399 -0.317 20 0 CBADRP C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCO)[NH+](C)C ZINC000650982422 419976371 /nfs/dbraw/zinc/97/63/71/419976371.db2.gz MVSKBAWZZRDCGE-NWDGAFQWSA-N 2 0 257.378 -0.101 20 0 CBADRP C[C@@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[NH+](C)C ZINC000651137844 419987126 /nfs/dbraw/zinc/98/71/26/419987126.db2.gz OIAJUHSERLRQRQ-LBPRGKRZSA-N 2 0 299.419 -0.648 20 0 CBADRP C[NH+](C)CCn1ccc(NC(=O)NC[C@H]2CC[N@H+](C)C2)n1 ZINC000361819608 420023646 /nfs/dbraw/zinc/02/36/46/420023646.db2.gz PSWMTVJQMXKYLM-GFCCVEGCSA-N 2 0 294.403 0.518 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[N@@H+]1CCC[C@H](C)C1 ZINC000364214868 420031342 /nfs/dbraw/zinc/03/13/42/420031342.db2.gz MPFABAJCRQHCAK-WUHRBBMRSA-N 2 0 269.389 -0.054 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCC1CC[NH2+]CC1 ZINC000652150404 420049306 /nfs/dbraw/zinc/04/93/06/420049306.db2.gz VKWXWSHUDXIJLU-AWEZNQCLSA-N 2 0 297.447 -0.079 20 0 CBADRP CCO[C@@H]1CN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])C[C@H]1C[NH3+] ZINC000652220744 420053253 /nfs/dbraw/zinc/05/32/53/420053253.db2.gz IKXQHNGVTFTQAM-LMLFDSFASA-N 2 0 258.366 -0.273 20 0 CBADRP C[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[NH+]1CCC(C)CC1 ZINC000365106245 420053963 /nfs/dbraw/zinc/05/39/63/420053963.db2.gz TXVJUBHOHHBLEM-YNEHKIRRSA-N 2 0 269.389 -0.054 20 0 CBADRP CCOCCN1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1CC ZINC000365091692 420054286 /nfs/dbraw/zinc/05/42/86/420054286.db2.gz OOWQMMORFXEFDQ-BFHYXJOUSA-N 2 0 299.415 -0.332 20 0 CBADRP CCN1C(=O)[C@H]2C[N@H+](Cc3ccnc(N)c3)CCN2C1=O ZINC000365126464 420054796 /nfs/dbraw/zinc/05/47/96/420054796.db2.gz SFQISPHDHCBPFD-LLVKDONJSA-N 2 0 289.339 0.132 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)C1 ZINC000365091152 420055273 /nfs/dbraw/zinc/05/52/73/420055273.db2.gz MQJZNYXTXPBOES-QCNOEVLYSA-N 2 0 287.429 -0.133 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)NCCC2CC[NH2+]CC2)CCO1 ZINC000652323881 420057201 /nfs/dbraw/zinc/05/72/01/420057201.db2.gz RGURHOQLWLYXBN-GFCCVEGCSA-N 2 0 270.377 -0.255 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000365156979 420057470 /nfs/dbraw/zinc/05/74/70/420057470.db2.gz QBFASUNBUKHKGP-QJPTWQEYSA-N 2 0 255.362 -0.348 20 0 CBADRP [NH3+]CCOCC[NH+]1CCC(Cn2cnnc2)CC1 ZINC000652353380 420059387 /nfs/dbraw/zinc/05/93/87/420059387.db2.gz CJQGFPUKLJKZSB-UHFFFAOYSA-N 2 0 253.350 -0.035 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000365333911 420060767 /nfs/dbraw/zinc/06/07/67/420060767.db2.gz YWEDQWQBSFOTBP-WISYIIOYSA-N 2 0 255.362 -0.302 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000367475755 420107995 /nfs/dbraw/zinc/10/79/95/420107995.db2.gz FHUWVULIKMRYOJ-LSDHHAIUSA-N 2 0 289.379 -0.315 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000367469694 420108385 /nfs/dbraw/zinc/10/83/85/420108385.db2.gz KCMDTYNARAETQL-AHLTXXRQSA-N 2 0 291.399 -0.163 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653043305 420108941 /nfs/dbraw/zinc/10/89/41/420108941.db2.gz NFBSHPBDXFTMLG-KBPBESRZSA-N 2 0 280.416 -0.072 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653043356 420109400 /nfs/dbraw/zinc/10/94/00/420109400.db2.gz QHFFCSPRLXBCMT-DYEKYZERSA-N 2 0 267.373 -0.320 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653043306 420109440 /nfs/dbraw/zinc/10/94/40/420109440.db2.gz NFBSHPBDXFTMLG-KGLIPLIRSA-N 2 0 280.416 -0.072 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653049304 420109920 /nfs/dbraw/zinc/10/99/20/420109920.db2.gz BKGUQVXDFDRUFG-ZDUSSCGKSA-N 2 0 268.405 -0.260 20 0 CBADRP O=C(CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CC[NH2+]CC1 ZINC000653045670 420110444 /nfs/dbraw/zinc/11/04/44/420110444.db2.gz CSJZKSNCKQSETQ-NEPJUHHUSA-N 2 0 280.372 -0.935 20 0 CBADRP O=C(CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CC[NH2+]CC1 ZINC000653045672 420110693 /nfs/dbraw/zinc/11/06/93/420110693.db2.gz CSJZKSNCKQSETQ-RYUDHWBXSA-N 2 0 280.372 -0.935 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[C@@H]1[NH3+] ZINC000653052244 420112082 /nfs/dbraw/zinc/11/20/82/420112082.db2.gz YXXIWERYDHVFIP-BLFANLJRSA-N 2 0 253.346 -0.582 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@H](O)COc1ccccc1 ZINC000653073237 420112605 /nfs/dbraw/zinc/11/26/05/420112605.db2.gz WPZDRBANZHOUHI-GXTWGEPZSA-N 2 0 295.383 -0.179 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000653065414 420112869 /nfs/dbraw/zinc/11/28/69/420112869.db2.gz CMLHDQXLYWGBDA-GFCCVEGCSA-N 2 0 298.431 -0.018 20 0 CBADRP CCN(CC(=O)N(C)C)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653068580 420113762 /nfs/dbraw/zinc/11/37/62/420113762.db2.gz JHMMDQFSUAEXKN-JTQLQIEISA-N 2 0 258.366 -0.798 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)NC1(C(N)=O)CCCCC1 ZINC000653073974 420113771 /nfs/dbraw/zinc/11/37/71/420113771.db2.gz UFUJFQVMAUTEHC-SNVBAGLBSA-N 2 0 270.377 -0.430 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653111377 420116045 /nfs/dbraw/zinc/11/60/45/420116045.db2.gz NNISLGBXHPEZGG-JSGCOSHPSA-N 2 0 285.388 -0.693 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](N)CC[NH+](C)C ZINC000653105147 420116149 /nfs/dbraw/zinc/11/61/49/420116149.db2.gz HSVWKIDIQVPUAN-VXGBXAGGSA-N 2 0 256.394 -0.134 20 0 CBADRP C[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653104994 420116306 /nfs/dbraw/zinc/11/63/06/420116306.db2.gz AFJDMYVGDDLJOD-GWCFXTLKSA-N 2 0 253.346 -0.567 20 0 CBADRP O=C(NCCC[NH+]1CCCC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653106594 420117094 /nfs/dbraw/zinc/11/70/94/420117094.db2.gz FBMKNRAGLIVXEA-JSGCOSHPSA-N 2 0 267.373 -0.176 20 0 CBADRP O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000367832911 420117333 /nfs/dbraw/zinc/11/73/33/420117333.db2.gz RUBRBEWNCBJCFC-LSDHHAIUSA-N 2 0 289.379 -0.043 20 0 CBADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653114126 420118708 /nfs/dbraw/zinc/11/87/08/420118708.db2.gz ZCODSBHEOOEZBL-DYEKYZERSA-N 2 0 267.373 -0.320 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](N)CC[NH+](C)C ZINC000653116840 420118733 /nfs/dbraw/zinc/11/87/33/420118733.db2.gz WENLMTXJZQXSRT-CHWSQXEVSA-N 2 0 286.420 -0.508 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000653117594 420118898 /nfs/dbraw/zinc/11/88/98/420118898.db2.gz QQONURVWMAOMOI-LBPRGKRZSA-N 2 0 288.355 -0.093 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653124018 420119750 /nfs/dbraw/zinc/11/97/50/420119750.db2.gz OEZWCFQYPYOEGY-WXHSDQCUSA-N 2 0 268.405 -0.136 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653123669 420119776 /nfs/dbraw/zinc/11/97/76/420119776.db2.gz DASQMPGYHLQMAI-MPXAEWJHSA-N 2 0 279.384 -0.179 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000653115198 420120179 /nfs/dbraw/zinc/12/01/79/420120179.db2.gz GNVFCOTVUKYMLQ-CHWSQXEVSA-N 2 0 268.405 -0.038 20 0 CBADRP CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000653117416 420120276 /nfs/dbraw/zinc/12/02/76/420120276.db2.gz LFGNDUNMACXJOC-WHOFXGATSA-N 2 0 279.384 -0.083 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653149903 420122849 /nfs/dbraw/zinc/12/28/49/420122849.db2.gz KYERABQVODRHJA-LBPRGKRZSA-N 2 0 274.409 -0.698 20 0 CBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[NH+]2CCC1CC2 ZINC000653151172 420123226 /nfs/dbraw/zinc/12/32/26/420123226.db2.gz ZGICGJGQFCDMOL-LBPRGKRZSA-N 2 0 254.378 -0.428 20 0 CBADRP [NH3+]CC[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)C(F)(F)F ZINC000653147478 420123573 /nfs/dbraw/zinc/12/35/73/420123573.db2.gz IBUSZFCRTPTABX-NRPADANISA-N 2 0 281.278 -0.382 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653147077 420123582 /nfs/dbraw/zinc/12/35/82/420123582.db2.gz MYAYBHQUXQKZGQ-BLFANLJRSA-N 2 0 253.346 -0.534 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653155731 420123959 /nfs/dbraw/zinc/12/39/59/420123959.db2.gz DLHCRWUNNYPHNF-LBPRGKRZSA-N 2 0 256.394 -0.182 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000653162245 420124913 /nfs/dbraw/zinc/12/49/13/420124913.db2.gz UHNAFLLBANUGMC-VXGBXAGGSA-N 2 0 256.394 -0.101 20 0 CBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000653162242 420125044 /nfs/dbraw/zinc/12/50/44/420125044.db2.gz UHNAFLLBANUGMC-NEPJUHHUSA-N 2 0 256.394 -0.101 20 0 CBADRP C[C@@H]1CCN(C(=O)[C@@H](N)CC[NH+](C)C)C[C@@H]1C[NH3+] ZINC000653163003 420125235 /nfs/dbraw/zinc/12/52/35/420125235.db2.gz AIRIXWATPZSXSC-WOPDTQHZSA-N 2 0 256.394 -0.291 20 0 CBADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1COCC[NH2+]1)C2 ZINC000653194046 420125611 /nfs/dbraw/zinc/12/56/11/420125611.db2.gz SHHKYCVGGQEYEU-SCRDCRAPSA-N 2 0 267.373 -0.048 20 0 CBADRP O=C(N1CCC2(CC[NH2+]2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653165630 420126029 /nfs/dbraw/zinc/12/60/29/420126029.db2.gz YUGNHDTWAKCOIU-FZMZJTMJSA-N 2 0 265.357 -0.423 20 0 CBADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[NH2+]CCO1)C2 ZINC000653194544 420127487 /nfs/dbraw/zinc/12/74/87/420127487.db2.gz MOEONZOYUQOHNL-LOWVWBTDSA-N 2 0 253.346 -0.438 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)C[C@H]1C[NH3+] ZINC000653248164 420129816 /nfs/dbraw/zinc/12/98/16/420129816.db2.gz GHQRCCCYDCVLOF-IJLUTSLNSA-N 2 0 255.362 -0.064 20 0 CBADRP C[C@@H]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@@H]1CC[NH3+] ZINC000653240405 420130351 /nfs/dbraw/zinc/13/03/51/420130351.db2.gz NLUBDUXGKZDSOI-FRRDWIJNSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000672696842 544858191 /nfs/dbraw/zinc/85/81/91/544858191.db2.gz NTXLEBZCKWHSFN-ZDUSSCGKSA-N 2 0 298.431 -0.003 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000653261266 420133801 /nfs/dbraw/zinc/13/38/01/420133801.db2.gz PPKLTNGJPSQUAO-YIYPIFLZSA-N 2 0 297.399 -0.138 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@@H]([NH2+]C2CCOCC2)C1=O ZINC000653283680 420135497 /nfs/dbraw/zinc/13/54/97/420135497.db2.gz LUUFMXNREKWGOV-LLVKDONJSA-N 2 0 269.345 -0.556 20 0 CBADRP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CCC[C@H]2CO)C1=O ZINC000653285494 420137323 /nfs/dbraw/zinc/13/73/23/420137323.db2.gz QJEWGMUTPXYFGP-NWDGAFQWSA-N 2 0 283.372 -0.478 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000368632931 420140199 /nfs/dbraw/zinc/14/01/99/420140199.db2.gz PMAHNWSILPETDT-LLVKDONJSA-N 2 0 290.358 -0.263 20 0 CBADRP CC(C)(C)[NH2+]CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653347236 420140998 /nfs/dbraw/zinc/14/09/98/420140998.db2.gz XIINEAMISAHFBJ-GWCFXTLKSA-N 2 0 255.362 -0.273 20 0 CBADRP [NH3+]CC1(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000652676642 420070909 /nfs/dbraw/zinc/07/09/09/420070909.db2.gz DDYUXIGEDMSVSS-LLVKDONJSA-N 2 0 294.399 -0.416 20 0 CBADRP C[NH+](C)CCn1cc(NC(=O)NC2C[NH2+]C2)cn1 ZINC000652612113 420071046 /nfs/dbraw/zinc/07/10/46/420071046.db2.gz IWQASQHUXSLBNQ-UHFFFAOYSA-N 2 0 252.322 -0.462 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652699228 420074305 /nfs/dbraw/zinc/07/43/05/420074305.db2.gz SQYCQVIVHIBCJQ-GFCCVEGCSA-N 2 0 284.404 -0.358 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000652700993 420075112 /nfs/dbraw/zinc/07/51/12/420075112.db2.gz XNENWGGPLBEJHZ-CYBMUJFWSA-N 2 0 296.415 -0.216 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000652705258 420075137 /nfs/dbraw/zinc/07/51/37/420075137.db2.gz CMGGZJNMMJCWBQ-ZDUSSCGKSA-N 2 0 298.431 -0.099 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000652705473 420075717 /nfs/dbraw/zinc/07/57/17/420075717.db2.gz IOPMGPGGPSKCJQ-CHWSQXEVSA-N 2 0 298.431 -0.114 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652725655 420077599 /nfs/dbraw/zinc/07/75/99/420077599.db2.gz PRDATGGTHYSTEZ-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000652731167 420078965 /nfs/dbraw/zinc/07/89/65/420078965.db2.gz CSHIICSLAURFQL-CYBMUJFWSA-N 2 0 296.415 -0.120 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC[NH2+]1 ZINC000652732910 420079194 /nfs/dbraw/zinc/07/91/94/420079194.db2.gz WHJFFYKVASUZJW-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@H]([NH3+])C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000366347198 420082899 /nfs/dbraw/zinc/08/28/99/420082899.db2.gz NPTJKNQEXFDGID-TUAOUCFPSA-N 2 0 255.362 -0.049 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000366344223 420083545 /nfs/dbraw/zinc/08/35/45/420083545.db2.gz FIWVNCSLCGALKI-KBPBESRZSA-N 2 0 299.415 -0.161 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@@]1(CCOC)CC[NH2+]C1 ZINC000370766945 420184773 /nfs/dbraw/zinc/18/47/73/420184773.db2.gz QMRPXQJSQPTGLI-CQSZACIVSA-N 2 0 287.404 -0.303 20 0 CBADRP C[C@@H](CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)C ZINC000654583227 420186890 /nfs/dbraw/zinc/18/68/90/420186890.db2.gz KXZMISPWBVUUCP-SDDRHHMPSA-N 2 0 270.377 -0.603 20 0 CBADRP CC[NH+]1CCN(CCCNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000370780529 420188440 /nfs/dbraw/zinc/18/84/40/420188440.db2.gz SVHKDPCSCOWFAO-AWEZNQCLSA-N 2 0 286.395 -0.168 20 0 CBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCC[NH+]1CCCCC1 ZINC000388250570 420202004 /nfs/dbraw/zinc/20/20/04/420202004.db2.gz HTJVFZYGJFMDDJ-GFCCVEGCSA-N 2 0 291.417 -0.620 20 0 CBADRP C[N@H+](C[C@@H](O)Cn1cc(CCC[NH3+])nn1)C1CC1 ZINC000386061786 420203802 /nfs/dbraw/zinc/20/38/02/420203802.db2.gz DOJDFTPQYZWMGW-GFCCVEGCSA-N 2 0 253.350 -0.376 20 0 CBADRP C[C@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)[N@H+](C)C1CC1 ZINC000388499586 420204443 /nfs/dbraw/zinc/20/44/43/420204443.db2.gz GZCROELXQVFQJI-ZYHUDNBSSA-N 2 0 291.417 -0.623 20 0 CBADRP CN(C(=O)C[C@@H]1COCC[NH2+]1)[C@H]1C[NH+]2CCC1CC2 ZINC000388624662 420204795 /nfs/dbraw/zinc/20/47/95/420204795.db2.gz ULPIALUWSQVXML-OLZOCXBDSA-N 2 0 267.373 -0.083 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000388558256 420204843 /nfs/dbraw/zinc/20/48/43/420204843.db2.gz ZYKBYRIJHDLYAI-NWDGAFQWSA-N 2 0 293.433 -0.376 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000388558258 420205902 /nfs/dbraw/zinc/20/59/02/420205902.db2.gz ZYKBYRIJHDLYAI-VXGBXAGGSA-N 2 0 293.433 -0.376 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)CCC1 ZINC000672982552 544865740 /nfs/dbraw/zinc/86/57/40/544865740.db2.gz YUBXMTIRTIQTCZ-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)C1CC[NH+](C)CC1 ZINC000396446370 420213683 /nfs/dbraw/zinc/21/36/83/420213683.db2.gz CMUHWOHPAOEGRY-PWSUYJOCSA-N 2 0 255.362 -0.179 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](C)[C@H](C)[C@H]1C ZINC000653596933 420151767 /nfs/dbraw/zinc/15/17/67/420151767.db2.gz UMVHSMDSJZPZEQ-MCIONIFRSA-N 2 0 273.421 -0.050 20 0 CBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCC[NH2+]CC2)CC1=O ZINC000370021502 420171842 /nfs/dbraw/zinc/17/18/42/420171842.db2.gz QLKDLJYBJBXPRO-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP [NH3+]C[C@@H](NC(=O)[C@H]1C[C@H](O)C[NH2+]1)C1CCCCC1 ZINC000370225863 420173105 /nfs/dbraw/zinc/17/31/05/420173105.db2.gz ZCNNIUOFDBKSBG-QJPTWQEYSA-N 2 0 255.362 -0.267 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654395406 420176198 /nfs/dbraw/zinc/17/61/98/420176198.db2.gz LXOQHVXMTXVBCC-RWMBFGLXSA-N 2 0 282.388 -0.459 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654438441 420179099 /nfs/dbraw/zinc/17/90/99/420179099.db2.gz DMPRTLXYRNDFDK-HZSPNIEDSA-N 2 0 297.447 -0.128 20 0 CBADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000400235312 420221532 /nfs/dbraw/zinc/22/15/32/420221532.db2.gz USDDLAYPBPXAIQ-WDEREUQCSA-N 2 0 279.406 -0.636 20 0 CBADRP C[C@@H]1[C@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000655096155 420221659 /nfs/dbraw/zinc/22/16/59/420221659.db2.gz FSVZEGDIWQKIIE-WYUUTHIRSA-N 2 0 255.362 -0.540 20 0 CBADRP CN(C)S(=O)(=O)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400982835 420221656 /nfs/dbraw/zinc/22/16/56/420221656.db2.gz UZZSTJYAESHPFY-IJLUTSLNSA-N 2 0 275.418 -0.145 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000405075887 420225706 /nfs/dbraw/zinc/22/57/06/420225706.db2.gz JPABICXJVCOPKO-QWHCGFSZSA-N 2 0 297.403 -0.316 20 0 CBADRP CCO[C@@H]1CN(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000405559209 420229298 /nfs/dbraw/zinc/22/92/98/420229298.db2.gz CPOCVLZVVQUJBO-XJFOESAGSA-N 2 0 299.415 -0.082 20 0 CBADRP CC(C)[C@@H](C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)C ZINC000655296541 420240482 /nfs/dbraw/zinc/24/04/82/420240482.db2.gz PACUAGYEDTUZSQ-XQQFMLRXSA-N 2 0 269.389 -0.150 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000415223249 420240760 /nfs/dbraw/zinc/24/07/60/420240760.db2.gz XQBNIUFNKJYDPG-VXGBXAGGSA-N 2 0 294.403 0.564 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418568860 420242316 /nfs/dbraw/zinc/24/23/16/420242316.db2.gz BPCRKPRQINCVOS-NWDGAFQWSA-N 2 0 272.393 -0.130 20 0 CBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH3+] ZINC000419032917 420243003 /nfs/dbraw/zinc/24/30/03/420243003.db2.gz XPXVZSCFEAXUMU-MNOVXSKESA-N 2 0 270.377 -0.702 20 0 CBADRP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419135881 420243416 /nfs/dbraw/zinc/24/34/16/420243416.db2.gz MBCVHNYKEBKVOV-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000419107308 420243701 /nfs/dbraw/zinc/24/37/01/420243701.db2.gz PMJYXMAPYXKBRD-MNOVXSKESA-N 2 0 282.388 -0.417 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418931740 420243929 /nfs/dbraw/zinc/24/39/29/420243929.db2.gz HHTZIZZJZIYCOH-FRRDWIJNSA-N 2 0 298.431 -0.053 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000418945697 420243971 /nfs/dbraw/zinc/24/39/71/420243971.db2.gz NHSLSEDLTDLDME-LLVKDONJSA-N 2 0 272.393 -0.441 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000418922129 420244137 /nfs/dbraw/zinc/24/41/37/420244137.db2.gz DLFBLNQHBVAKRU-NEPJUHHUSA-N 2 0 284.404 -0.347 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CC[NH2+]C ZINC000419575160 420246055 /nfs/dbraw/zinc/24/60/55/420246055.db2.gz AAZBLIFTNFWAFC-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CC[NH2+]C ZINC000419523645 420246123 /nfs/dbraw/zinc/24/61/23/420246123.db2.gz OVACMJZMCGLNOM-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419700069 420246256 /nfs/dbraw/zinc/24/62/56/420246256.db2.gz WYRNGJCJLRTULO-NWDGAFQWSA-N 2 0 296.415 -0.027 20 0 CBADRP O=C(NCCN1CC[NH2+]CC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655412896 420246770 /nfs/dbraw/zinc/24/67/70/420246770.db2.gz BFDZEWKEGBOUTM-OCCSQVGLSA-N 2 0 266.389 -0.603 20 0 CBADRP CN1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000655419323 420247272 /nfs/dbraw/zinc/24/72/72/420247272.db2.gz SICKEUWJYVCADS-NWDGAFQWSA-N 2 0 254.378 -0.523 20 0 CBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000420015880 420248042 /nfs/dbraw/zinc/24/80/42/420248042.db2.gz MMXCRGNIWGXGCS-NWDGAFQWSA-N 2 0 284.404 -0.362 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419892183 420248106 /nfs/dbraw/zinc/24/81/06/420248106.db2.gz JBNJCHZEVKUFKF-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)CCO1 ZINC000655418667 420248328 /nfs/dbraw/zinc/24/83/28/420248328.db2.gz CMEIULVPBBQQQY-OPDFLTKYSA-N 2 0 267.373 -0.049 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655449746 420250505 /nfs/dbraw/zinc/25/05/05/420250505.db2.gz NTKRLVHLLMZBAE-IPYPFGDCSA-N 2 0 280.416 -0.262 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CCO1 ZINC000655453681 420251477 /nfs/dbraw/zinc/25/14/77/420251477.db2.gz NTKIOKAMTQQFGJ-NQBHXWOUSA-N 2 0 253.346 -0.438 20 0 CBADRP C[C@@H]1CC[NH2+]C[C@H]1NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000422891016 420253696 /nfs/dbraw/zinc/25/36/96/420253696.db2.gz UJOJDUJXWUVCEB-JHJVBQTASA-N 2 0 268.405 -0.086 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)CC(=O)N1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000422752768 420254050 /nfs/dbraw/zinc/25/40/50/420254050.db2.gz FJXQONPPQWSBNM-WCQYABFASA-N 2 0 284.404 -0.504 20 0 CBADRP CC(C)[C@@H](C(=O)N(C)CC(=O)N1CC[NH2+]CC1)[C@@H](C)[NH3+] ZINC000422752767 420254420 /nfs/dbraw/zinc/25/44/20/420254420.db2.gz FJXQONPPQWSBNM-DGCLKSJQSA-N 2 0 284.404 -0.504 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000655489697 420254762 /nfs/dbraw/zinc/25/47/62/420254762.db2.gz ZTGPJLWQISFMPA-XQQFMLRXSA-N 2 0 296.415 -0.299 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655488501 420255912 /nfs/dbraw/zinc/25/59/12/420255912.db2.gz BSVSMJWQENDOGH-LOWVWBTDSA-N 2 0 284.404 -0.458 20 0 CBADRP [NH3+]C[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)C(F)(F)F ZINC000655505284 420258940 /nfs/dbraw/zinc/25/89/40/420258940.db2.gz VHUXIRDZGMNBSD-HTQZYQBOSA-N 2 0 269.267 -0.239 20 0 CBADRP [NH3+]C[C@@H](NC(=O)COC1CC[NH2+]CC1)C(F)(F)F ZINC000655517435 420262176 /nfs/dbraw/zinc/26/21/76/420262176.db2.gz BZMYTYYEBUXDGE-MRVPVSSYSA-N 2 0 269.267 -0.239 20 0 CBADRP [NH3+]C[C@H](NC(=O)[C@H]1C[C@@]12CC[NH2+]C2)C(F)(F)F ZINC000655514841 420262605 /nfs/dbraw/zinc/26/26/05/420262605.db2.gz DMNCXBPNNQGQAL-BKPPORCPSA-N 2 0 251.252 -0.008 20 0 CBADRP [NH3+]C[C@H](NC(=O)CCOC1C[NH2+]C1)C(F)(F)F ZINC000655516849 420262630 /nfs/dbraw/zinc/26/26/30/420262630.db2.gz ZVIWWAOSIWRZOO-ZETCQYMHSA-N 2 0 255.240 -0.629 20 0 CBADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)N1CCNC(=O)C1 ZINC000431017492 420272583 /nfs/dbraw/zinc/27/25/83/420272583.db2.gz AZCXOZBUQDDATH-UHFFFAOYSA-N 2 0 280.372 -0.980 20 0 CBADRP COCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430604984 420272886 /nfs/dbraw/zinc/27/28/86/420272886.db2.gz RVVPSVTURUPGDU-LBPRGKRZSA-N 2 0 255.362 -0.223 20 0 CBADRP CC(C)N1CC[C@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000430629334 420273112 /nfs/dbraw/zinc/27/31/12/420273112.db2.gz PWYKYFVINSOGLA-STQMWFEESA-N 2 0 296.415 -0.217 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655916739 420275806 /nfs/dbraw/zinc/27/58/06/420275806.db2.gz HMLFQJBUNWXJHH-BDAKNGLRSA-N 2 0 298.309 -0.104 20 0 CBADRP [NH3+]C[C@@H](NC(=O)NCC[N@@H+]1CCCOCC1)C(F)(F)F ZINC000655929599 420281455 /nfs/dbraw/zinc/28/14/55/420281455.db2.gz VPJPCMLCDGGCIU-SECBINFHSA-N 2 0 298.309 -0.103 20 0 CBADRP CN1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H](C[NH3+])C1 ZINC000655971120 420284869 /nfs/dbraw/zinc/28/48/69/420284869.db2.gz SVBJMRWOZMDQEU-XQQFMLRXSA-N 2 0 283.420 -0.389 20 0 CBADRP O=C(NCCC[C@H]1CCC[NH2+]1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655968919 420285075 /nfs/dbraw/zinc/28/50/75/420285075.db2.gz BBYRCURTRFOPGY-HZSPNIEDSA-N 2 0 296.415 -0.021 20 0 CBADRP C[C@@]1(CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCC[NH2+]C1 ZINC000655965448 420285233 /nfs/dbraw/zinc/28/52/33/420285233.db2.gz UQWRZYDITWVMOQ-GZBFAFLISA-N 2 0 296.415 -0.164 20 0 CBADRP O=C(NCC1=CC[NH2+]CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655965940 420285348 /nfs/dbraw/zinc/28/53/48/420285348.db2.gz LAEOWPZCLXJGOQ-QWHCGFSZSA-N 2 0 280.372 -0.634 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655967337 420285697 /nfs/dbraw/zinc/28/56/97/420285697.db2.gz SGYHXAQMIGCMCX-GRYCIOLGSA-N 2 0 270.377 -0.555 20 0 CBADRP C[NH+](C)[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1O ZINC000655095985 420219657 /nfs/dbraw/zinc/21/96/57/420219657.db2.gz GRZORPFWJCIPOY-STQMWFEESA-N 2 0 269.389 -0.148 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000656303610 420306226 /nfs/dbraw/zinc/30/62/26/420306226.db2.gz KYMPLXFFNCQODG-BJHJDKERSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000516766130 420362842 /nfs/dbraw/zinc/36/28/42/420362842.db2.gz DBWREUBDAAQTPM-FRRDWIJNSA-N 2 0 296.415 -0.347 20 0 CBADRP [NH3+]C[C@H](O)CCc1cn(CCC[NH+]2CCSCC2)nn1 ZINC000656450225 420309383 /nfs/dbraw/zinc/30/93/83/420309383.db2.gz OCJOYYMJTXSRAI-CYBMUJFWSA-N 2 0 299.444 -0.031 20 0 CBADRP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2C[C@H]3COC[C@@]3(C)C2)C1=O ZINC000656477939 420311778 /nfs/dbraw/zinc/31/17/78/420311778.db2.gz ODRYBYAFCNFPMM-SLEUVZQESA-N 2 0 295.383 -0.356 20 0 CBADRP COCC[NH2+]CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000516768331 420363889 /nfs/dbraw/zinc/36/38/89/420363889.db2.gz FILBBPFUEUYWQC-LLVKDONJSA-N 2 0 255.362 -0.272 20 0 CBADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000516768667 420364326 /nfs/dbraw/zinc/36/43/26/420364326.db2.gz PXFKBEBADHAMNM-GHMZBOCLSA-N 2 0 282.388 -0.641 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NC2C[NH2+]C2)CCCCC1 ZINC000516635326 420361569 /nfs/dbraw/zinc/36/15/69/420361569.db2.gz HRYDSSWZOAFBML-UHFFFAOYSA-N 2 0 282.388 -0.545 20 0 CBADRP CC(C)[NH+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000516635262 420361620 /nfs/dbraw/zinc/36/16/20/420361620.db2.gz ZTLQZMSLKPUENW-ZDUSSCGKSA-N 2 0 283.420 -0.374 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656020048 420292872 /nfs/dbraw/zinc/29/28/72/420292872.db2.gz LTFNCKCIZHVRBX-TXEJJXNPSA-N 2 0 284.404 -0.441 20 0 CBADRP [NH3+]CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656019611 420292909 /nfs/dbraw/zinc/29/29/09/420292909.db2.gz HNPRKPDFRSZYDA-QWRGUYRKSA-N 2 0 268.361 -0.806 20 0 CBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[NH3+])CC1 ZINC000656021791 420293157 /nfs/dbraw/zinc/29/31/57/420293157.db2.gz KNSWZYRGZFSTFX-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000656043075 420295123 /nfs/dbraw/zinc/29/51/23/420295123.db2.gz YMRKCZWZQIXZEU-SDDRHHMPSA-N 2 0 282.388 -0.737 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656025727 420295397 /nfs/dbraw/zinc/29/53/97/420295397.db2.gz RPHJEYPXNWGCMY-UTUOFQBUSA-N 2 0 284.404 -0.443 20 0 CBADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000656028505 420295820 /nfs/dbraw/zinc/29/58/20/420295820.db2.gz LXEKPCQESZATBP-UPJWGTAASA-N 2 0 294.399 -0.321 20 0 CBADRP CN1CC[C@H]2C[N@@H+]([C@@H]3CC(=O)N(CC[NH+](C)C)C3=O)C[C@H]21 ZINC000448555561 420295966 /nfs/dbraw/zinc/29/59/66/420295966.db2.gz MQHWWQOQPDUFNI-YNEHKIRRSA-N 2 0 294.399 -0.689 20 0 CBADRP O[C@H]1C[C@H]([NH2+]C2CCN(CCN3CCOCC3)CC2)C1 ZINC000658349248 420369284 /nfs/dbraw/zinc/36/92/84/420369284.db2.gz HVORPRGCYFPFDW-SHTZXODSSA-N 2 0 283.416 -0.104 20 0 CBADRP CC[NH+](CC)CCO[C@@H]1CCN([C@@H]2CC(=O)NC2=O)C1 ZINC000517167965 420372359 /nfs/dbraw/zinc/37/23/59/420372359.db2.gz DFGGHYZRNYGUDT-VXGBXAGGSA-N 2 0 283.372 -0.166 20 0 CBADRP CN1CCN(C(=O)NCC2([NH3+])CCCCC2)[C@H](C[NH3+])C1 ZINC000517225258 420375127 /nfs/dbraw/zinc/37/51/27/420375127.db2.gz RULJMAONAVEIBG-GFCCVEGCSA-N 2 0 283.420 -0.068 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000517384868 420376568 /nfs/dbraw/zinc/37/65/68/420376568.db2.gz BNZANOBXRSPXSI-IQLKVPPVSA-N 2 0 283.372 -0.003 20 0 CBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CC[NH2+]C1CC1 ZINC000519614607 420383905 /nfs/dbraw/zinc/38/39/05/420383905.db2.gz NXAKKKXXVOCNQV-GFCCVEGCSA-N 2 0 268.405 -0.119 20 0 CBADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000658758529 420386055 /nfs/dbraw/zinc/38/60/55/420386055.db2.gz VPYGBKKHYFVCOT-CYBMUJFWSA-N 2 0 296.415 -0.441 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000519697657 420386085 /nfs/dbraw/zinc/38/60/85/420386085.db2.gz RPEFTOVFOUMFQN-QWRGUYRKSA-N 2 0 272.418 -0.899 20 0 CBADRP CC[C@@H](C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)[NH+](C)C ZINC000519765018 420388345 /nfs/dbraw/zinc/38/83/45/420388345.db2.gz DCRLKWXKAHPJBG-GXTWGEPZSA-N 2 0 269.389 -0.101 20 0 CBADRP CCN(C(=O)C(=O)N(C)CC[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000658829921 420389922 /nfs/dbraw/zinc/38/99/22/420389922.db2.gz OMEBDTDVBWXHKS-CYBMUJFWSA-N 2 0 298.431 -0.051 20 0 CBADRP Cc1cn(C)nc1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000659055732 420396139 /nfs/dbraw/zinc/39/61/39/420396139.db2.gz IQACAXYBAQPZPD-JTQLQIEISA-N 2 0 266.349 -0.165 20 0 CBADRP C[C@@H](C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)[NH+](C)C ZINC000674263181 544900549 /nfs/dbraw/zinc/90/05/49/544900549.db2.gz BFQWHVBJIMVIBT-WCQYABFASA-N 2 0 296.415 -0.123 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](C)[NH+](C)C ZINC000674263819 544900711 /nfs/dbraw/zinc/90/07/11/544900711.db2.gz OWUHALVNVPKPAC-RYUDHWBXSA-N 2 0 256.394 -0.311 20 0 CBADRP C[C@@H](C(=O)NCCCN1CC[NH+](C)CC1)[NH+](C)C ZINC000674265897 544900904 /nfs/dbraw/zinc/90/09/04/544900904.db2.gz JZCVIDWLNVACOP-LBPRGKRZSA-N 2 0 256.394 -0.310 20 0 CBADRP C[C@@]1(F)C[NH2+]CCN(CCC(=O)N2CC[NH2+]CC2)C1 ZINC000516970829 420367863 /nfs/dbraw/zinc/36/78/63/420367863.db2.gz CHQGLGVRFKETDQ-CYBMUJFWSA-N 2 0 272.368 -0.558 20 0 CBADRP C[NH2+]C[C@](C)(O)CN1CC[NH+](C(C)(C)COC)CC1 ZINC000516975618 420368019 /nfs/dbraw/zinc/36/80/19/420368019.db2.gz YAIJYIMTBCLZQU-AWEZNQCLSA-N 2 0 273.421 -0.001 20 0 CBADRP C[C@@H](NC(=O)CN1CCN(C)CC1)[C@H]1CN(C)CCO1 ZINC000676346632 544949163 /nfs/dbraw/zinc/94/91/63/544949163.db2.gz COTQICNFRDWATR-CHWSQXEVSA-N 2 0 284.404 -0.931 20 0 CBADRP [NH3+]CCn1cc(C(=O)NC[C@@H]2CCCC[NH2+]2)nn1 ZINC000659293889 420406945 /nfs/dbraw/zinc/40/69/45/420406945.db2.gz IAMQZPWJSRJRSS-VIFPVBQESA-N 2 0 252.322 -0.891 20 0 CBADRP CC1(C)C[NH2+]CCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000659294069 420407630 /nfs/dbraw/zinc/40/76/30/420407630.db2.gz KWDFZLRUGYTPRP-UHFFFAOYSA-N 2 0 252.322 -0.939 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)CN2CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000674689002 544911997 /nfs/dbraw/zinc/91/19/97/544911997.db2.gz GNYBQBYYEDICQB-CHWSQXEVSA-N 2 0 280.416 -0.025 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)CN2CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000674689003 544912354 /nfs/dbraw/zinc/91/23/54/544912354.db2.gz GNYBQBYYEDICQB-OLZOCXBDSA-N 2 0 280.416 -0.025 20 0 CBADRP CC(=O)N1CC[C@@]([NH3+])(C(=O)N[C@H](C[NH3+])CC(C)C)C1 ZINC000659297791 420409276 /nfs/dbraw/zinc/40/92/76/420409276.db2.gz RAUMXEIQAVOJQO-AAEUAGOBSA-N 2 0 270.377 -0.574 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000659312206 420410644 /nfs/dbraw/zinc/41/06/44/420410644.db2.gz CZOPNDMFYDBIPO-QWRGUYRKSA-N 2 0 255.362 -0.003 20 0 CBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000659312207 420411381 /nfs/dbraw/zinc/41/13/81/420411381.db2.gz CZOPNDMFYDBIPO-WDEREUQCSA-N 2 0 255.362 -0.003 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000659387454 420418362 /nfs/dbraw/zinc/41/83/62/420418362.db2.gz VOVIBDCYVFZBJN-FOGDFJRCSA-N 2 0 259.325 -0.490 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000659453588 420420123 /nfs/dbraw/zinc/42/01/23/420420123.db2.gz OFCLFULUXJPYHK-QWRGUYRKSA-N 2 0 257.382 -0.861 20 0 CBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000659456970 420420200 /nfs/dbraw/zinc/42/02/00/420420200.db2.gz VBJVUWPNXDXZGK-STQMWFEESA-N 2 0 295.431 -0.184 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC1([NH3+])CCCC1 ZINC000659453878 420420837 /nfs/dbraw/zinc/42/08/37/420420837.db2.gz UWMXNOGREFFRFU-GFCCVEGCSA-N 2 0 283.420 -0.197 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659457245 420421056 /nfs/dbraw/zinc/42/10/56/420421056.db2.gz BZPQZBNCWFFQPY-LXVYMNJGSA-N 2 0 282.388 -0.160 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659459486 420421510 /nfs/dbraw/zinc/42/15/10/420421510.db2.gz YYFDNOFUJVOZRC-QJPTWQEYSA-N 2 0 288.367 -0.212 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659457278 420422102 /nfs/dbraw/zinc/42/21/02/420422102.db2.gz DIFHUUUXULWPSA-MBHSVXNSSA-N 2 0 282.388 -0.242 20 0 CBADRP O=C(C1C[NH2+]C1)N1CCN(Cc2cccnc2)CC1 ZINC000091407340 230168755 /nfs/dbraw/zinc/16/87/55/230168755.db2.gz IQNBYYVZGDQCNC-UHFFFAOYSA-N 2 0 260.341 -0.055 20 0 CBADRP CC(C)[NH2+]CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659358906 420416681 /nfs/dbraw/zinc/41/66/81/420416681.db2.gz POWHWCKHGHZDCP-UHFFFAOYSA-N 2 0 272.393 -0.537 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[NH2+]C1CC1 ZINC000659358865 420416790 /nfs/dbraw/zinc/41/67/90/420416790.db2.gz NUPBIBSGJVLNOE-UHFFFAOYSA-N 2 0 270.377 -0.783 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC000681123330 545044333 /nfs/dbraw/zinc/04/43/33/545044333.db2.gz GHYMIUKTAXLFJR-GFCCVEGCSA-N 2 0 257.378 -0.099 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)CCO1 ZINC000659611598 420437120 /nfs/dbraw/zinc/43/71/20/420437120.db2.gz OIAINRLRNGYQLR-URAGZPLESA-N 2 0 268.361 -0.504 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000659508138 420425627 /nfs/dbraw/zinc/42/56/27/420425627.db2.gz NBMYVMWJCHQLQX-LLVKDONJSA-N 2 0 285.392 -0.909 20 0 CBADRP C[C@@H]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000659508211 420426298 /nfs/dbraw/zinc/42/62/98/420426298.db2.gz OPJWIRNNXXBIJV-NEPJUHHUSA-N 2 0 297.403 -0.813 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000376747521 230261153 /nfs/dbraw/zinc/26/11/53/230261153.db2.gz HRRBGLABEJYTFU-CYBMUJFWSA-N 2 0 287.404 -0.210 20 0 CBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659534347 420430483 /nfs/dbraw/zinc/43/04/83/420430483.db2.gz SFEMQCGKBSBXTF-WPRPVWTQSA-N 2 0 294.359 -0.562 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659529197 420430521 /nfs/dbraw/zinc/43/05/21/420430521.db2.gz WTUYQLBWQRUWTI-UHFFFAOYSA-N 2 0 256.350 -0.645 20 0 CBADRP COC[C@@]1(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000659542403 420431499 /nfs/dbraw/zinc/43/14/99/420431499.db2.gz NZRKTGSAKOSIDW-WZRBSPASSA-N 2 0 288.367 -0.164 20 0 CBADRP [NH3+]C1(CNC(=O)NC[C@H]2C[NH2+]CCCO2)CCCC1 ZINC000659550297 420431980 /nfs/dbraw/zinc/43/19/80/420431980.db2.gz QEBGHYYIBYIACF-LLVKDONJSA-N 2 0 270.377 -0.064 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000659550582 420432023 /nfs/dbraw/zinc/43/20/23/420432023.db2.gz RMFLRGRGIXIKEJ-JTQLQIEISA-N 2 0 258.366 -0.256 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659547396 420432026 /nfs/dbraw/zinc/43/20/26/420432026.db2.gz CODYPNPCRGRGGA-QWRGUYRKSA-N 2 0 287.408 -0.617 20 0 CBADRP O=C(NC[C@@H]1C[NH2+]CCO1)NCC12CC(C1)C[NH2+]2 ZINC000659552908 420432943 /nfs/dbraw/zinc/43/29/43/420432943.db2.gz GOYPXOJTKTUCQJ-YZRBJQDESA-N 2 0 254.334 -0.974 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000680834144 545041261 /nfs/dbraw/zinc/04/12/61/545041261.db2.gz BJKJNZPJAMNHAZ-ZFWWWQNUSA-N 2 0 296.415 -0.164 20 0 CBADRP C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000579227935 420467203 /nfs/dbraw/zinc/46/72/03/420467203.db2.gz OCTSBWXBOVABSS-SNVBAGLBSA-N 2 0 265.361 0.524 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000659750236 420467343 /nfs/dbraw/zinc/46/73/43/420467343.db2.gz FNSYVYAUILYXKU-MNOVXSKESA-N 2 0 270.377 -0.737 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659750076 420467413 /nfs/dbraw/zinc/46/74/13/420467413.db2.gz MKLRGLRVHNAHRO-MNOVXSKESA-N 2 0 270.377 -0.689 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659750056 420467481 /nfs/dbraw/zinc/46/74/81/420467481.db2.gz DFWBZTDBDDTENB-MNOVXSKESA-N 2 0 284.404 -0.301 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659750054 420467565 /nfs/dbraw/zinc/46/75/65/420467565.db2.gz DDAMZSUBYXXORB-NSHDSACASA-N 2 0 272.393 -0.489 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000659752639 420468286 /nfs/dbraw/zinc/46/82/86/420468286.db2.gz KVKFOPUXLQRXRC-WDEREUQCSA-N 2 0 270.377 -0.737 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000659753972 420468309 /nfs/dbraw/zinc/46/83/09/420468309.db2.gz CADWBCFTWJQWAR-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000659757328 420469005 /nfs/dbraw/zinc/46/90/05/420469005.db2.gz WZEXXXLPFFBYAM-QWHCGFSZSA-N 2 0 298.431 -0.051 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000659755219 420469089 /nfs/dbraw/zinc/46/90/89/420469089.db2.gz JLJWJVWYAVGLAZ-AGIUHOORSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000659757146 420469159 /nfs/dbraw/zinc/46/91/59/420469159.db2.gz VPQPOTNXTZZUCY-VXGBXAGGSA-N 2 0 284.404 -0.491 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659755709 420469230 /nfs/dbraw/zinc/46/92/30/420469230.db2.gz ZFNRNOQVQUBCHT-PWSUYJOCSA-N 2 0 282.388 -0.594 20 0 CBADRP C[NH+](C)CCNC(=O)/C=C/C=C\C(=O)NCC[NH+](C)C ZINC000492316877 230332562 /nfs/dbraw/zinc/33/25/62/230332562.db2.gz CRNCNPCTJBCKOM-CGXWXWIYSA-N 2 0 282.388 -0.546 20 0 CBADRP C[C@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H](C)C[NH2+]1 ZINC000659628885 420438549 /nfs/dbraw/zinc/43/85/49/420438549.db2.gz LMISNABNJHAHKT-IUCAKERBSA-N 2 0 294.359 -0.467 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000659618240 420438710 /nfs/dbraw/zinc/43/87/10/420438710.db2.gz DYTXIQFGRUBZKG-WDEREUQCSA-N 2 0 258.366 -0.271 20 0 CBADRP CC(C)(O)C[NH+]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659616530 420438868 /nfs/dbraw/zinc/43/88/68/420438868.db2.gz LXUYYUMOTDINQM-UHFFFAOYSA-N 2 0 296.415 -0.164 20 0 CBADRP CC(C)[C@H]([NH3+])CCNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000659619712 420438875 /nfs/dbraw/zinc/43/88/75/420438875.db2.gz SCNDCSIVJVCIME-VWYCJHECSA-N 2 0 258.366 -0.666 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000659636370 420441983 /nfs/dbraw/zinc/44/19/83/420441983.db2.gz KTASKMFITLHSGN-ZDUSSCGKSA-N 2 0 285.436 -0.127 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000659643099 420442926 /nfs/dbraw/zinc/44/29/26/420442926.db2.gz NNSAZGXXKRYBME-VXGBXAGGSA-N 2 0 269.393 -0.717 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000659643274 420443117 /nfs/dbraw/zinc/44/31/17/420443117.db2.gz PTUQGCNHGKIWGR-VXGBXAGGSA-N 2 0 272.393 -0.260 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000659643109 420443476 /nfs/dbraw/zinc/44/34/76/420443476.db2.gz NPMQLVXBQYGAQB-VXGBXAGGSA-N 2 0 284.404 -0.009 20 0 CBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000566194218 420444399 /nfs/dbraw/zinc/44/43/99/420444399.db2.gz WQIXYVGFTPKCDF-GHMZBOCLSA-N 2 0 265.361 0.381 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000659671935 420446635 /nfs/dbraw/zinc/44/66/35/420446635.db2.gz JKBABNJSCXMXOB-GFCCVEGCSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659674291 420446707 /nfs/dbraw/zinc/44/67/07/420446707.db2.gz METISOHSOALFNS-UHFFFAOYSA-N 2 0 294.399 -0.463 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000659682401 420447946 /nfs/dbraw/zinc/44/79/46/420447946.db2.gz YXICYARFXOCBEW-SNVBAGLBSA-N 2 0 289.339 -0.325 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000659687062 420448460 /nfs/dbraw/zinc/44/84/60/420448460.db2.gz PSDHUXUJRVHZBB-VHSXEESVSA-N 2 0 258.366 -0.833 20 0 CBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659685807 420448916 /nfs/dbraw/zinc/44/89/16/420448916.db2.gz PHYYOABTHRQDMG-RYUDHWBXSA-N 2 0 284.404 -0.299 20 0 CBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659687363 420449092 /nfs/dbraw/zinc/44/90/92/420449092.db2.gz URLMMSBVRDDVNL-JTQLQIEISA-N 2 0 282.388 -0.465 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000659688630 420449623 /nfs/dbraw/zinc/44/96/23/420449623.db2.gz DGEOFQLZJBFXAW-QWHCGFSZSA-N 2 0 298.431 -0.053 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CCC1 ZINC000659693546 420450375 /nfs/dbraw/zinc/45/03/75/420450375.db2.gz ILSQJMRRWYWZCH-UHFFFAOYSA-N 2 0 294.399 -0.463 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000659697001 420450605 /nfs/dbraw/zinc/45/06/05/420450605.db2.gz FTEODYYIYXXHMC-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCC1 ZINC000659694643 420451264 /nfs/dbraw/zinc/45/12/64/420451264.db2.gz QKZNWOHYOHPXOK-UHFFFAOYSA-N 2 0 294.399 -0.545 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000659701819 420451614 /nfs/dbraw/zinc/45/16/14/420451614.db2.gz JUPGWOXHVVEIAE-MNOVXSKESA-N 2 0 282.388 -0.523 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659699104 420452002 /nfs/dbraw/zinc/45/20/02/420452002.db2.gz LKINTTKASRLYFV-GHMZBOCLSA-N 2 0 272.393 -0.443 20 0 CBADRP C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])[N@H+](C)C1CC1 ZINC000659701902 420452868 /nfs/dbraw/zinc/45/28/68/420452868.db2.gz JNNDGUNJMLHPLN-SNVBAGLBSA-N 2 0 284.404 -0.219 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000659709577 420453916 /nfs/dbraw/zinc/45/39/16/420453916.db2.gz JEWTXDXCOPENKQ-LBPRGKRZSA-N 2 0 282.388 -0.545 20 0 CBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000659709383 420454037 /nfs/dbraw/zinc/45/40/37/420454037.db2.gz IBNURPJTIHMWEP-GFCCVEGCSA-N 2 0 296.415 -0.156 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000659710532 420455147 /nfs/dbraw/zinc/45/51/47/420455147.db2.gz RTHCRAGCIXEFAZ-ZDUSSCGKSA-N 2 0 296.415 -0.297 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659718212 420457716 /nfs/dbraw/zinc/45/77/16/420457716.db2.gz MRXPAXKYQXUZLG-GHMZBOCLSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659718313 420458123 /nfs/dbraw/zinc/45/81/23/420458123.db2.gz OXYUBMGHTAHWCQ-ZJUUUORDSA-N 2 0 270.377 -0.561 20 0 CBADRP COc1c(N)ncnc1NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000573458968 420458682 /nfs/dbraw/zinc/45/86/82/420458682.db2.gz LPMBXGWFRBOPMY-UHFFFAOYSA-N 2 0 294.403 0.505 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000659720867 420459496 /nfs/dbraw/zinc/45/94/96/420459496.db2.gz FXPGMIXGGGQZCY-AGIUHOORSA-N 2 0 296.415 -0.299 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000659726284 420459829 /nfs/dbraw/zinc/45/98/29/420459829.db2.gz IXKCTUYCXQEEAO-AVGNSLFASA-N 2 0 294.399 -0.402 20 0 CBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659726735 420460040 /nfs/dbraw/zinc/46/00/40/420460040.db2.gz NBTFBBBJBVDPNA-ZIEZEBLDSA-N 2 0 294.399 -0.689 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)[NH2+]CC)C1 ZINC000659723084 420460379 /nfs/dbraw/zinc/46/03/79/420460379.db2.gz HUAMHDSOOJWUJY-VXGBXAGGSA-N 2 0 284.404 -0.299 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000659725125 420460417 /nfs/dbraw/zinc/46/04/17/420460417.db2.gz XPOHWLLFPWQZCK-AGIUHOORSA-N 2 0 296.415 -0.299 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000659726117 420460478 /nfs/dbraw/zinc/46/04/78/420460478.db2.gz BXNMBAHNPXLIHV-UNXYVOJBSA-N 2 0 284.404 -0.301 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)[NH2+]CC)C1 ZINC000659723083 420460523 /nfs/dbraw/zinc/46/05/23/420460523.db2.gz HUAMHDSOOJWUJY-NEPJUHHUSA-N 2 0 284.404 -0.299 20 0 CBADRP Cc1cc(NC(=O)CC[NH2+]CCOCC[NH+](C)C)no1 ZINC000574802737 420461059 /nfs/dbraw/zinc/46/10/59/420461059.db2.gz FNDCFHKFQOJGQJ-UHFFFAOYSA-N 2 0 284.360 0.479 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000659729690 420461089 /nfs/dbraw/zinc/46/10/89/420461089.db2.gz TUMCILMMKIHNCS-SRVKXCTJSA-N 2 0 284.404 -0.171 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)C1 ZINC000659738289 420463025 /nfs/dbraw/zinc/46/30/25/420463025.db2.gz DHIJTGZELJVVQH-UPJWGTAASA-N 2 0 296.415 -0.217 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)C1 ZINC000659738158 420463294 /nfs/dbraw/zinc/46/32/94/420463294.db2.gz AUBZCPZFUVHQLZ-QWHCGFSZSA-N 2 0 296.415 -0.203 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659738484 420463721 /nfs/dbraw/zinc/46/37/21/420463721.db2.gz FDIRRPZRYOLOOH-MQYJIDSJSA-N 2 0 294.399 -0.463 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000659739444 420464187 /nfs/dbraw/zinc/46/41/87/420464187.db2.gz UPCPJRGQBOOJGR-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)C1 ZINC000659739252 420464606 /nfs/dbraw/zinc/46/46/06/420464606.db2.gz PEASEHIVTXDEFC-AVGNSLFASA-N 2 0 296.415 -0.204 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000659739434 420464989 /nfs/dbraw/zinc/46/49/89/420464989.db2.gz UJQAZWWGEJQLAY-VXGBXAGGSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000659741942 420465045 /nfs/dbraw/zinc/46/50/45/420465045.db2.gz RIUFWWRQNKQYSZ-OLZOCXBDSA-N 2 0 298.431 -0.053 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CCC[NH2+]C)C1 ZINC000659739426 420465075 /nfs/dbraw/zinc/46/50/75/420465075.db2.gz UGTZTAZOBCAMRT-LBPRGKRZSA-N 2 0 284.404 -0.345 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000659750238 420466986 /nfs/dbraw/zinc/46/69/86/420466986.db2.gz FNSYVYAUILYXKU-QWRGUYRKSA-N 2 0 270.377 -0.737 20 0 CBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000659750233 420467036 /nfs/dbraw/zinc/46/70/36/420467036.db2.gz FNSYVYAUILYXKU-GHMZBOCLSA-N 2 0 270.377 -0.737 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659751332 420467077 /nfs/dbraw/zinc/46/70/77/420467077.db2.gz TWFRZWQIYSUQML-NWDGAFQWSA-N 2 0 284.404 -0.347 20 0 CBADRP O=C(Nc1ccn([C@@H]2CC[NH2+]C2)n1)[C@@]1(F)CC[NH2+]C1 ZINC000583621419 420474047 /nfs/dbraw/zinc/47/40/47/420474047.db2.gz HEMWWOSDFAOOQD-BXKDBHETSA-N 2 0 267.308 0.058 20 0 CBADRP CC(C)[N@H+](C)C[C@H](O)CN(C)[C@@]1(CO)CCOC1 ZINC000660240026 420487245 /nfs/dbraw/zinc/48/72/45/420487245.db2.gz UTLFRCIGWBALMV-QWHCGFSZSA-N 2 0 260.378 -0.229 20 0 CBADRP CO[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C1CC1 ZINC000518365678 260383332 /nfs/dbraw/zinc/38/33/32/260383332.db2.gz LIUMLVPJUIHEMU-KGLIPLIRSA-N 2 0 271.405 -0.391 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000518945855 265238448 /nfs/dbraw/zinc/23/84/48/265238448.db2.gz AFIQHNJUSAWTAJ-LLVKDONJSA-N 2 0 282.388 -0.832 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000519713011 265546755 /nfs/dbraw/zinc/54/67/55/265546755.db2.gz OKDFCCXJZNUHOC-UPJWGTAASA-N 2 0 296.415 -0.312 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000521622321 269603859 /nfs/dbraw/zinc/60/38/59/269603859.db2.gz QKSIYHYCJCSASU-AXFHLTTASA-N 2 0 258.366 -0.129 20 0 CBADRP O=C1NCC[C@H]1[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239704 269639669 /nfs/dbraw/zinc/63/96/69/269639669.db2.gz HCZJEUIHJKDHSV-CHWSQXEVSA-N 2 0 267.373 -0.035 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419772679 276115551 /nfs/dbraw/zinc/11/55/51/276115551.db2.gz GHZNXSQJDYEVRN-VXGBXAGGSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419775442 276115665 /nfs/dbraw/zinc/11/56/65/276115665.db2.gz IOUAQEBCYKNJOA-VXGBXAGGSA-N 2 0 284.404 -0.347 20 0 CBADRP CCC[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)NC ZINC000053298869 276252055 /nfs/dbraw/zinc/25/20/55/276252055.db2.gz HGGYBQGJZZHQFY-UHFFFAOYSA-N 2 0 270.377 -0.734 20 0 CBADRP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419871142 276325100 /nfs/dbraw/zinc/32/51/00/276325100.db2.gz XHGQCXMYQDFVHD-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419585815 276362570 /nfs/dbraw/zinc/36/25/70/276362570.db2.gz MKVDUSPFWOVKKS-QWHCGFSZSA-N 2 0 296.415 -0.216 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419585812 276362832 /nfs/dbraw/zinc/36/28/32/276362832.db2.gz MKVDUSPFWOVKKS-CHWSQXEVSA-N 2 0 296.415 -0.216 20 0 CBADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000219312030 276762925 /nfs/dbraw/zinc/76/29/25/276762925.db2.gz WPQUOBFIZGQASJ-LLVKDONJSA-N 2 0 264.391 -0.269 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000419137188 276833301 /nfs/dbraw/zinc/83/33/01/276833301.db2.gz OPZRDEVHKNGDFN-NWDGAFQWSA-N 2 0 296.415 -0.027 20 0 CBADRP C[N@H+](C[C@@H](O)CN1CC[NH+](C(C)(C)CO)CC1)C1CC1 ZINC000685568227 545081914 /nfs/dbraw/zinc/08/19/14/545081914.db2.gz HGTBIIHHFDNROV-CQSZACIVSA-N 2 0 285.432 -0.170 20 0 CBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000515659026 277029675 /nfs/dbraw/zinc/02/96/75/277029675.db2.gz ANWUAZPBJGUNHI-DGCLKSJQSA-N 2 0 257.378 -0.066 20 0 CBADRP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC(C[NH3+])CC2)C1 ZINC000430669722 277043116 /nfs/dbraw/zinc/04/31/16/277043116.db2.gz UKVVAMPDPLYOBP-CQSZACIVSA-N 2 0 296.415 -0.216 20 0 CBADRP CN1CCN(C(=O)CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422714154 277089254 /nfs/dbraw/zinc/08/92/54/277089254.db2.gz KSJCYBFJVSZBKM-QWHCGFSZSA-N 2 0 268.405 -0.133 20 0 CBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000423415422 277156548 /nfs/dbraw/zinc/15/65/48/277156548.db2.gz AMVFXYNIZOZUBB-CHWSQXEVSA-N 2 0 294.399 -0.639 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000366344224 277229369 /nfs/dbraw/zinc/22/93/69/277229369.db2.gz FIWVNCSLCGALKI-KGLIPLIRSA-N 2 0 299.415 -0.161 20 0 CBADRP C[NH2+]CCCNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000419034442 277267954 /nfs/dbraw/zinc/26/79/54/277267954.db2.gz ZNRKALYWULQLBQ-OLZOCXBDSA-N 2 0 298.431 -0.051 20 0 CBADRP CC(C)(C[NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000430894293 277297928 /nfs/dbraw/zinc/29/79/28/277297928.db2.gz MFEIMZQXOBBKLA-LLVKDONJSA-N 2 0 284.404 -0.325 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423510690 277565481 /nfs/dbraw/zinc/56/54/81/277565481.db2.gz POHGFBCDALQAJI-GFCCVEGCSA-N 2 0 284.404 -0.265 20 0 CBADRP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000419810277 278182830 /nfs/dbraw/zinc/18/28/30/278182830.db2.gz LJJQPXOSZVQLJE-DGCLKSJQSA-N 2 0 292.383 -0.131 20 0 CBADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420302080 278183300 /nfs/dbraw/zinc/18/33/00/278183300.db2.gz WEZVVOZKVGIUFR-STQMWFEESA-N 2 0 296.415 -0.393 20 0 CBADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000163222538 278231933 /nfs/dbraw/zinc/23/19/33/278231933.db2.gz SIQMEFKBZGEPHS-UWVGGRQHSA-N 2 0 268.361 -0.014 20 0 CBADRP C[C@@H](C[NH3+])CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000418495366 278244482 /nfs/dbraw/zinc/24/44/82/278244482.db2.gz UMKFIMOUBAPHFY-NWDGAFQWSA-N 2 0 272.393 -0.273 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[N@H+](C)C1CC1 ZINC000419575164 278268167 /nfs/dbraw/zinc/26/81/67/278268167.db2.gz ACGWSESQDLQRFI-NSHDSACASA-N 2 0 296.415 -0.204 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCC2)C[C@H]1[NH+](C)C ZINC000331520268 278633330 /nfs/dbraw/zinc/63/33/30/278633330.db2.gz CMZGZYFGEWKSFR-GHMZBOCLSA-N 2 0 282.388 -0.608 20 0 CBADRP CCCC[C@H]([NH3+])C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000442721457 278737881 /nfs/dbraw/zinc/73/78/81/278737881.db2.gz VFHZYPVYRMESQR-NSHDSACASA-N 2 0 270.377 -0.606 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000419239301 278835468 /nfs/dbraw/zinc/83/54/68/278835468.db2.gz NYSYRJNFEONUFR-LLVKDONJSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351533809 279034449 /nfs/dbraw/zinc/03/44/49/279034449.db2.gz IZLNIPIQYBTBHM-STQMWFEESA-N 2 0 296.415 -0.345 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419767910 279155048 /nfs/dbraw/zinc/15/50/48/279155048.db2.gz BHVZCTLBUAVZQY-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000062972612 279168229 /nfs/dbraw/zinc/16/82/29/279168229.db2.gz HUVIPTMRUUWJEB-NWDGAFQWSA-N 2 0 255.362 -0.083 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)C1CC1 ZINC000419521290 279190674 /nfs/dbraw/zinc/19/06/74/279190674.db2.gz JYGLLEOQUMQORS-VXGBXAGGSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419595431 279268731 /nfs/dbraw/zinc/26/87/31/279268731.db2.gz WUIVINNZZOENTC-GHMZBOCLSA-N 2 0 270.377 -0.560 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[NH2+]C ZINC000419590379 279279249 /nfs/dbraw/zinc/27/92/49/279279249.db2.gz QGCMSSSCNQFFAK-NSHDSACASA-N 2 0 270.377 -0.687 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000331698057 279296419 /nfs/dbraw/zinc/29/64/19/279296419.db2.gz VDSIGEZSXFKIDL-CYBMUJFWSA-N 2 0 296.415 -0.249 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419431716 279299997 /nfs/dbraw/zinc/29/99/97/279299997.db2.gz XRYKBJSJHUQPBW-OLZOCXBDSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419863002 279306943 /nfs/dbraw/zinc/30/69/43/279306943.db2.gz DKQFJGKVXBEIEF-YNEHKIRRSA-N 2 0 296.415 -0.027 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CC[NH3+])CC1=O ZINC000423998201 279330368 /nfs/dbraw/zinc/33/03/68/279330368.db2.gz AFJYDZJADKRKKN-OLZOCXBDSA-N 2 0 296.415 -0.264 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@H]1C[NH2+]CCN1C ZINC000423500851 288123823 /nfs/dbraw/zinc/12/38/23/288123823.db2.gz DBCVWDJQUYZWJU-BNOWGMLFSA-N 2 0 252.406 -0.038 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419334316 288126095 /nfs/dbraw/zinc/12/60/95/288126095.db2.gz MZEHJUAWHNLHDE-MWLCHTKSSA-N 2 0 282.388 -0.561 20 0 CBADRP CC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000419885529 279499264 /nfs/dbraw/zinc/49/92/64/279499264.db2.gz HJIUSLJDBMRVQT-LLVKDONJSA-N 2 0 270.377 -0.735 20 0 CBADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH3+] ZINC000418346896 288145446 /nfs/dbraw/zinc/14/54/46/288145446.db2.gz IELDPYNQPYAAOT-LLVKDONJSA-N 2 0 272.393 -0.178 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC[NH2+]1 ZINC000418838304 279783296 /nfs/dbraw/zinc/78/32/96/279783296.db2.gz UXVMFAMQXUMEOV-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)[NH+](C)C ZINC000338970810 280076239 /nfs/dbraw/zinc/07/62/39/280076239.db2.gz YOGNIQOAVAEKLO-NWDGAFQWSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245947522 280090795 /nfs/dbraw/zinc/09/07/95/280090795.db2.gz XHEPWOJSWKLJRB-OLZOCXBDSA-N 2 0 268.405 -0.038 20 0 CBADRP C[C@H]1[C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)CCC[N@@H+]1C ZINC000419562609 280116567 /nfs/dbraw/zinc/11/65/67/280116567.db2.gz VIRYKIAQZHASQR-NWDGAFQWSA-N 2 0 282.388 -0.593 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000418739583 280165535 /nfs/dbraw/zinc/16/55/35/280165535.db2.gz YVKHRASHYCCQIO-VXGBXAGGSA-N 2 0 272.393 -0.130 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377529337 280272765 /nfs/dbraw/zinc/27/27/65/280272765.db2.gz BQWYLYHEVUFNDY-NEPJUHHUSA-N 2 0 254.378 -0.524 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000376054432 280273172 /nfs/dbraw/zinc/27/31/72/280273172.db2.gz HFFLWIFYYXRNBY-NEPJUHHUSA-N 2 0 254.378 -0.524 20 0 CBADRP CC[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000430794502 280874438 /nfs/dbraw/zinc/87/44/38/280874438.db2.gz QKZNVECAAYPAAJ-NEPJUHHUSA-N 2 0 255.362 -0.096 20 0 CBADRP CC1(C)CN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC[NH2+]1 ZINC000333498300 281175316 /nfs/dbraw/zinc/17/53/16/281175316.db2.gz FCLBKQRYTBFQFJ-LLVKDONJSA-N 2 0 270.377 -0.242 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424055803 288319064 /nfs/dbraw/zinc/31/90/64/288319064.db2.gz FSHAGZQBHACNBE-GHMZBOCLSA-N 2 0 278.360 -0.364 20 0 CBADRP C[NH+](C)C1(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCCC1 ZINC000351559382 282028988 /nfs/dbraw/zinc/02/89/88/282028988.db2.gz IZMBDTNUVGGOSG-GFCCVEGCSA-N 2 0 296.415 -0.155 20 0 CBADRP CN(C(=O)C[C@@H]1C[NH2+]CCO1)C1CC[NH+](C)CC1 ZINC000091299066 288815191 /nfs/dbraw/zinc/81/51/91/288815191.db2.gz SAVOODGAPUJNRL-GFCCVEGCSA-N 2 0 255.362 -0.083 20 0 CBADRP C[C@@H]1[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CCC[N@@H+]1C ZINC000419542361 289049642 /nfs/dbraw/zinc/04/96/42/289049642.db2.gz FJPSPHNNGNKUFQ-IJLUTSLNSA-N 2 0 282.388 -0.547 20 0 CBADRP C[NH+](C)C1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000354742723 289066357 /nfs/dbraw/zinc/06/63/57/289066357.db2.gz QAZCNJMBSJEUOC-CYBMUJFWSA-N 2 0 296.415 -0.203 20 0 CBADRP C[NH+](C)CCCNC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000124527078 289116012 /nfs/dbraw/zinc/11/60/12/289116012.db2.gz LABBQFOFYOQLMY-UHFFFAOYSA-N 2 0 284.389 -0.199 20 0 CBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NCCC[NH3+] ZINC000418311532 289131411 /nfs/dbraw/zinc/13/14/11/289131411.db2.gz MBXSBVAUDFUIEB-UHFFFAOYSA-N 2 0 273.425 -0.140 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH2+]2)CCO1 ZINC000333660895 289198765 /nfs/dbraw/zinc/19/87/65/289198765.db2.gz LNZBEYVXGJAOPL-NWDGAFQWSA-N 2 0 270.377 -0.290 20 0 CBADRP C[NH+](C)C[C@@H]1CN(CC[N@@H+]2CCCOCC2)CCO1 ZINC000361291305 289201903 /nfs/dbraw/zinc/20/19/03/289201903.db2.gz WZXGDIGUHMRKAK-CQSZACIVSA-N 2 0 271.405 -0.029 20 0 CBADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000246805954 289213743 /nfs/dbraw/zinc/21/37/43/289213743.db2.gz BZAMHAMCSYIUDT-KGLIPLIRSA-N 2 0 271.405 -0.437 20 0 CBADRP COCC[C@]1(C(=O)N[C@@H](C[NH3+])C2CC2)CC[NH2+]C1 ZINC000370798536 292726826 /nfs/dbraw/zinc/72/68/26/292726826.db2.gz PWQCXXYNCSJQGK-WCQYABFASA-N 2 0 255.362 -0.144 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351561540 289291772 /nfs/dbraw/zinc/29/17/72/289291772.db2.gz YYHOWTPRTBOOPE-NEPJUHHUSA-N 2 0 282.388 -0.593 20 0 CBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)COC2C[NH2+]C2)C1 ZINC000430775749 289304481 /nfs/dbraw/zinc/30/44/81/289304481.db2.gz MDKDHWAWHQWTKC-WDEREUQCSA-N 2 0 255.362 -0.036 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)C[NH+]1CCCC1 ZINC000419816426 289635247 /nfs/dbraw/zinc/63/52/47/289635247.db2.gz IDDZBBJYCVUKEL-OLZOCXBDSA-N 2 0 296.415 -0.297 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000449698973 290061294 /nfs/dbraw/zinc/06/12/94/290061294.db2.gz PDMUVIHFSZDAEK-MBNYWOFBSA-N 2 0 268.405 -0.086 20 0 CBADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(N)=O)CC1 ZINC000105861990 290085036 /nfs/dbraw/zinc/08/50/36/290085036.db2.gz OGMONRTZDITQTC-QWRGUYRKSA-N 2 0 257.378 -0.115 20 0 CBADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000332713209 290240765 /nfs/dbraw/zinc/24/07/65/290240765.db2.gz LRJIQRJIZOYVBP-NEPJUHHUSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]1CCCN(C(=O)C(=O)N(C)CC[NH+](C)C)[C@@H]1C[NH3+] ZINC000423743653 290420369 /nfs/dbraw/zinc/42/03/69/290420369.db2.gz VPBYEFXRBQZWJB-NWDGAFQWSA-N 2 0 284.404 -0.408 20 0 CBADRP C[C@H]1CCN(C(=O)CCOC2C[NH2+]C2)C[C@H]1C[NH3+] ZINC000424000768 290534202 /nfs/dbraw/zinc/53/42/02/290534202.db2.gz OPFIFZIYBNERCB-WDEREUQCSA-N 2 0 255.362 -0.192 20 0 CBADRP COC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000367534796 293117187 /nfs/dbraw/zinc/11/71/87/293117187.db2.gz YLQAJTDSGRLJJG-QNWHQSFQSA-N 2 0 267.373 -0.097 20 0 CBADRP COC[C@]1(C(=O)NCC2([NH+](C)C)CCOCC2)CC[NH2+]C1 ZINC000516567479 293270935 /nfs/dbraw/zinc/27/09/35/293270935.db2.gz ICTQCHHZOHHYSZ-AWEZNQCLSA-N 2 0 299.415 -0.161 20 0 CBADRP COC[C@]1(CNC(=O)NCC2([NH3+])CCC2)CCC[NH2+]1 ZINC000418526801 293290257 /nfs/dbraw/zinc/29/02/57/293290257.db2.gz OMJRSAPBBWMTIX-CYBMUJFWSA-N 2 0 270.377 -0.064 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000353441983 293513442 /nfs/dbraw/zinc/51/34/42/293513442.db2.gz GBTNOXLAWNUNQE-AAEUAGOBSA-N 2 0 287.404 -0.489 20 0 CBADRP Cn1cc([C@@H]2CN(C(=O)NC[C@H]3CCC[NH2+]3)C[C@H]2[NH3+])cn1 ZINC000333606399 294281263 /nfs/dbraw/zinc/28/12/63/294281263.db2.gz REVWTIFQQYWPIW-FRRDWIJNSA-N 2 0 292.387 -0.392 20 0 CBADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CNC(=O)C[NH3+] ZINC000347690062 299894879 /nfs/dbraw/zinc/89/48/79/299894879.db2.gz MFBWEKQIVZMHRX-QWRGUYRKSA-N 2 0 270.377 -0.560 20 0 CBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000346266750 295110441 /nfs/dbraw/zinc/11/04/41/295110441.db2.gz BAKPLTHJXVAQEP-AVGNSLFASA-N 2 0 296.415 -0.040 20 0 CBADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000347662617 295217004 /nfs/dbraw/zinc/21/70/04/295217004.db2.gz ZRBVIQFEDHFYDP-GFCCVEGCSA-N 2 0 282.388 -0.462 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424150809 295226157 /nfs/dbraw/zinc/22/61/57/295226157.db2.gz DZVGIVZHPXNLPW-MXWKQRLJSA-N 2 0 268.361 -0.820 20 0 CBADRP [NH3+]CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])nn1 ZINC000424218828 295232197 /nfs/dbraw/zinc/23/21/97/295232197.db2.gz XGRAYLOZTNOOHL-NXEZZACHSA-N 2 0 266.349 -0.373 20 0 CBADRP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000331682990 295251703 /nfs/dbraw/zinc/25/17/03/295251703.db2.gz UJIWPUCHGMWWNV-YNEHKIRRSA-N 2 0 294.399 -0.321 20 0 CBADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000331367809 295264994 /nfs/dbraw/zinc/26/49/94/295264994.db2.gz BQHWIDZUYWIBFL-DGCLKSJQSA-N 2 0 294.399 -0.321 20 0 CBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000424476048 295299572 /nfs/dbraw/zinc/29/95/72/295299572.db2.gz JZCZOZMNMLJXHU-VXGBXAGGSA-N 2 0 269.393 -0.539 20 0 CBADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]CCO3)C[C@H]21 ZINC000376240155 295315939 /nfs/dbraw/zinc/31/59/39/295315939.db2.gz NLBMHFYBILUWFG-IRCOFANPSA-N 2 0 253.346 -0.439 20 0 CBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333497387 297545422 /nfs/dbraw/zinc/54/54/22/297545422.db2.gz FBOKMVLTIQDNQE-NNYUYHANSA-N 2 0 252.362 -0.012 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419135329 298419341 /nfs/dbraw/zinc/41/93/41/298419341.db2.gz LCQWDNVJMFRGKD-IJLUTSLNSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419138711 298531862 /nfs/dbraw/zinc/53/18/62/298531862.db2.gz REJQAUJTPRCWKK-IJLUTSLNSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419417088 298557751 /nfs/dbraw/zinc/55/77/51/298557751.db2.gz HTHHQTKOFFUVCO-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419119344 298578823 /nfs/dbraw/zinc/57/88/23/298578823.db2.gz JNLKHNIMWSVTIA-GFCCVEGCSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCC[NH3+])C[NH+]1CCCCC1 ZINC000419839255 298679285 /nfs/dbraw/zinc/67/92/85/298679285.db2.gz QCNHIXQCRDLNPN-LLVKDONJSA-N 2 0 270.377 -0.701 20 0 CBADRP C[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[NH+](C)C ZINC000344665810 298759415 /nfs/dbraw/zinc/75/94/15/298759415.db2.gz MMDFSURWQWSXBA-NEPJUHHUSA-N 2 0 284.404 -0.537 20 0 CBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000419243280 300001478 /nfs/dbraw/zinc/00/14/78/300001478.db2.gz SJASDNMORYGTTP-NWDGAFQWSA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@H]1CC[NH2+][C@H](C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000417812533 300004923 /nfs/dbraw/zinc/00/49/23/300004923.db2.gz OLXDRPCIOUIQES-RYUDHWBXSA-N 2 0 254.378 -0.604 20 0 CBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCN1CC[NH2+]CC1 ZINC000428639181 300065051 /nfs/dbraw/zinc/06/50/51/300065051.db2.gz DTXXWYOFCDNUQT-STQMWFEESA-N 2 0 268.405 -0.119 20 0 CBADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCN1CC[NH2+]CC1 ZINC000333870187 300319026 /nfs/dbraw/zinc/31/90/26/300319026.db2.gz UNIZXWZSXYSMCN-KBPBESRZSA-N 2 0 295.431 -0.230 20 0 CBADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333497389 300575213 /nfs/dbraw/zinc/57/52/13/300575213.db2.gz FBOKMVLTIQDNQE-WISYIIOYSA-N 2 0 252.362 -0.012 20 0 CBADRP C[C@]1(CNC(=O)NC[C@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000418536144 300800950 /nfs/dbraw/zinc/80/09/50/300800950.db2.gz IKIRTFAGSQYWIR-YPMHNXCESA-N 2 0 270.377 -0.336 20 0 CBADRP CCCC[C@@H](C[NH3+])NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000575309729 335091858 /nfs/dbraw/zinc/09/18/58/335091858.db2.gz URJGHTQRNWSXCP-QWRGUYRKSA-N 2 0 270.377 -0.512 20 0 CBADRP NC(=O)NC(=O)CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357094676 303267753 /nfs/dbraw/zinc/26/77/53/303267753.db2.gz ZWPCQOYSIOJFRX-NSHDSACASA-N 2 0 268.361 -0.107 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C1C[NH2+]C1 ZINC000262818625 303372207 /nfs/dbraw/zinc/37/22/07/303372207.db2.gz SDTHTJNVYKQLCL-NSHDSACASA-N 2 0 268.361 -0.948 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424075521 303790378 /nfs/dbraw/zinc/79/03/78/303790378.db2.gz JLMIDQWNBLUGFW-WDEREUQCSA-N 2 0 278.360 -0.316 20 0 CBADRP O=C(N[C@@H]1CCCC[NH2+]C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333491111 303837346 /nfs/dbraw/zinc/83/73/46/303837346.db2.gz DIBBPIKKOIGGRK-KGLIPLIRSA-N 2 0 295.431 -0.182 20 0 CBADRP COC[C@]1(C(=O)NC[C@H]2C[NH2+]CCCO2)CC[NH2+]C1 ZINC000580192762 327727828 /nfs/dbraw/zinc/72/78/28/327727828.db2.gz FPWUBFHUBKJNSI-YPMHNXCESA-N 2 0 271.361 -0.893 20 0 CBADRP COC[C@]1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[NH2+]C1 ZINC000580192759 327727875 /nfs/dbraw/zinc/72/78/75/327727875.db2.gz FPWUBFHUBKJNSI-AAEUAGOBSA-N 2 0 271.361 -0.893 20 0 CBADRP CC[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[NH+](CC)CC ZINC000582073417 327831501 /nfs/dbraw/zinc/83/15/01/327831501.db2.gz CYCLILNOYQRRDE-JHJVBQTASA-N 2 0 296.415 -0.123 20 0 CBADRP CC[C@H](C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[NH+](CC)CC ZINC000582073416 327831626 /nfs/dbraw/zinc/83/16/26/327831626.db2.gz CYCLILNOYQRRDE-FRRDWIJNSA-N 2 0 296.415 -0.123 20 0 CBADRP CC(C)[C@@H]([NH3+])CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000563102346 327924540 /nfs/dbraw/zinc/92/45/40/327924540.db2.gz UWHZUFYYCWPWJF-QWRGUYRKSA-N 2 0 280.376 -0.257 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000563144894 327929708 /nfs/dbraw/zinc/92/97/08/327929708.db2.gz UFKZWBBSWWRNEL-SDDRHHMPSA-N 2 0 284.404 -0.362 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000570966271 327967488 /nfs/dbraw/zinc/96/74/88/327967488.db2.gz RTVXPZXXKVJBJD-JQWIXIFHSA-N 2 0 270.377 -0.798 20 0 CBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[NH2+]CC3)CCN2C1=O ZINC000567368008 328061167 /nfs/dbraw/zinc/06/11/67/328061167.db2.gz JGUWDOWHJSWXMG-JHJVBQTASA-N 2 0 294.399 -0.463 20 0 CBADRP Cc1cc(CS(=O)(=O)N(CCC[NH3+])CCC[NH3+])no1 ZINC000563445789 328066049 /nfs/dbraw/zinc/06/60/49/328066049.db2.gz KLADHIXOEUWTSA-UHFFFAOYSA-N 2 0 290.389 -0.188 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C3([NH2+]C4CC4)CCC3)CCN2C1=O ZINC000563441534 328066411 /nfs/dbraw/zinc/06/64/11/328066411.db2.gz MBYBDMFSBXQIAE-NWDGAFQWSA-N 2 0 292.383 -0.569 20 0 CBADRP C[NH+](C)CCN1CCC(NC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000563457367 328067823 /nfs/dbraw/zinc/06/78/23/328067823.db2.gz KKVZSIOJVHMFHG-ZDUSSCGKSA-N 2 0 283.420 -0.327 20 0 CBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)O1 ZINC000563534967 328072320 /nfs/dbraw/zinc/07/23/20/328072320.db2.gz VVBFUDSKHAWEFA-KNZXXDILSA-N 2 0 253.346 -0.312 20 0 CBADRP CN1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000563599315 328076296 /nfs/dbraw/zinc/07/62/96/328076296.db2.gz VGHWGZTYAKLIJO-CHWSQXEVSA-N 2 0 283.420 -0.340 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000563616676 328077073 /nfs/dbraw/zinc/07/70/73/328077073.db2.gz FLEHTYRFADPGFO-UHFFFAOYSA-N 2 0 298.431 -0.050 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000563618880 328077369 /nfs/dbraw/zinc/07/73/69/328077369.db2.gz QMRYDYIQFDLYIT-LLVKDONJSA-N 2 0 282.388 -0.689 20 0 CBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)c1ccccc1 ZINC000563628273 328078496 /nfs/dbraw/zinc/07/84/96/328078496.db2.gz OODDIFKAJROLTP-ZDUSSCGKSA-N 2 0 290.367 -0.507 20 0 CBADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)NC1C[NH2+]C1 ZINC000563628565 328078542 /nfs/dbraw/zinc/07/85/42/328078542.db2.gz UADSEJYQDLWNSQ-LBPRGKRZSA-N 2 0 280.372 -0.793 20 0 CBADRP O=C(NC1C[NH2+]C1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000563647493 328081052 /nfs/dbraw/zinc/08/10/52/328081052.db2.gz FLJFTWDUZLETPC-UHFFFAOYSA-N 2 0 294.399 -0.449 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000571083974 328084936 /nfs/dbraw/zinc/08/49/36/328084936.db2.gz XQFMPZGCKJIUGX-RYUDHWBXSA-N 2 0 266.389 -0.604 20 0 CBADRP CC1(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C[NH2+]C1 ZINC000571207195 328091641 /nfs/dbraw/zinc/09/16/41/328091641.db2.gz SXXHNSITICIKFQ-UHFFFAOYSA-N 2 0 280.416 -0.072 20 0 CBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000571283970 328097701 /nfs/dbraw/zinc/09/77/01/328097701.db2.gz JQBTWOURADSYPQ-SDDRHHMPSA-N 2 0 284.404 -0.171 20 0 CBADRP C[C@@H]1[NH2+]CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)[C@H]1C ZINC000571288023 328098332 /nfs/dbraw/zinc/09/83/32/328098332.db2.gz YQNWBHUYRQVJBM-SDDRHHMPSA-N 2 0 292.387 -0.148 20 0 CBADRP COc1ccc([C@@H](C[NH3+])Cn2nnnc2C[NH3+])cc1 ZINC000571319982 328104677 /nfs/dbraw/zinc/10/46/77/328104677.db2.gz AXJLIPNUHMHNLZ-JTQLQIEISA-N 2 0 262.317 -0.117 20 0 CBADRP CO[C@H]1CCN(C(=O)C[NH2+]CC2CC2)[C@@H](C[NH3+])C1 ZINC000571326567 328107668 /nfs/dbraw/zinc/10/76/68/328107668.db2.gz NHAFXHAGQWTUCC-NEPJUHHUSA-N 2 0 255.362 -0.049 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000571401114 328119082 /nfs/dbraw/zinc/11/90/82/328119082.db2.gz POKVQZOVQXLSRH-XPUUQOCRSA-N 2 0 270.358 -0.129 20 0 CBADRP C[C@H](CNC(=O)C[C@@H]1COCC[NH2+]1)[NH+]1CCCC1 ZINC000161074531 328125428 /nfs/dbraw/zinc/12/54/28/328125428.db2.gz BHNCRHMXEBFDKB-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000571423366 328120845 /nfs/dbraw/zinc/12/08/45/328120845.db2.gz QFPOLLRBLZFSRG-CHWSQXEVSA-N 2 0 294.399 -0.449 20 0 CBADRP C[C@@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000161095087 328129361 /nfs/dbraw/zinc/12/93/61/328129361.db2.gz DJWGYCOGJSOVGO-NWDGAFQWSA-N 2 0 255.362 -0.035 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CCO1 ZINC000571523315 328131374 /nfs/dbraw/zinc/13/13/74/328131374.db2.gz VBDXWVURXUUGBN-KGLIPLIRSA-N 2 0 297.399 -0.184 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000571522589 328131593 /nfs/dbraw/zinc/13/15/93/328131593.db2.gz DOFJQWCUUKIOHV-CBAPKCEASA-N 2 0 280.319 -0.815 20 0 CBADRP [NH3+][C@H]1C[C@H]2CN(CC(=O)NC3CCCC3)CCN2C1=O ZINC000572857082 328138532 /nfs/dbraw/zinc/13/85/32/328138532.db2.gz MZDIEVDARWKGGB-RYUDHWBXSA-N 2 0 280.372 -0.711 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000571626414 328143056 /nfs/dbraw/zinc/14/30/56/328143056.db2.gz VUCFMVWXHZBAMP-OLZOCXBDSA-N 2 0 281.404 -0.620 20 0 CBADRP C[C@@H]1[C@H](C)OCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000380600199 328300339 /nfs/dbraw/zinc/30/03/39/328300339.db2.gz ZXQWUECQIWZBHI-NEPJUHHUSA-N 2 0 255.362 -0.083 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000583993681 326834311 /nfs/dbraw/zinc/83/43/11/326834311.db2.gz RULQNPQYCDIGGI-GHMZBOCLSA-N 2 0 292.387 -0.880 20 0 CBADRP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000584112047 327009633 /nfs/dbraw/zinc/00/96/33/327009633.db2.gz JUMFUYJZJPWOOP-ZANVPECISA-N 2 0 291.359 -0.848 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000557596135 327015099 /nfs/dbraw/zinc/01/50/99/327015099.db2.gz LBAWXWOOWSNMGX-QWHCGFSZSA-N 2 0 268.405 -0.310 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000565833627 327031155 /nfs/dbraw/zinc/03/11/55/327031155.db2.gz MIEMMYRUVMLBOO-XQQFMLRXSA-N 2 0 268.405 -0.134 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000576576032 327035147 /nfs/dbraw/zinc/03/51/47/327035147.db2.gz AKOXVCBWOFHVKL-UHFFFAOYSA-N 2 0 286.420 -0.160 20 0 CBADRP C[C@](C[NH3+])(NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000569122125 327036672 /nfs/dbraw/zinc/03/66/72/327036672.db2.gz WBIWDRBBKSRVMG-SMDDNHRTSA-N 2 0 282.388 -0.512 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000584113803 327040711 /nfs/dbraw/zinc/04/07/11/327040711.db2.gz JBUOJTRBGIWCLX-ZDEQEGDKSA-N 2 0 296.415 -0.219 20 0 CBADRP CC[NH+]1CCN(CC(=O)N[C@H](CC[NH3+])C(F)F)CC1 ZINC000584175236 327058536 /nfs/dbraw/zinc/05/85/36/327058536.db2.gz OFYFAZRYVZHRPS-SNVBAGLBSA-N 2 0 278.347 -0.277 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](C)C[C@@H](C(=O)OC)C1 ZINC000584181223 327061040 /nfs/dbraw/zinc/06/10/40/327061040.db2.gz RYPLNNOLDXLIME-CHWSQXEVSA-N 2 0 287.404 -0.664 20 0 CBADRP CC(C)[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC[N@@H+]1C ZINC000584221965 327066238 /nfs/dbraw/zinc/06/62/38/327066238.db2.gz MJAVKGAISOAEIJ-KBPBESRZSA-N 2 0 297.447 -0.128 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000584231175 327070838 /nfs/dbraw/zinc/07/08/38/327070838.db2.gz DXKUXRXLYLWKHP-VWYCJHECSA-N 2 0 255.362 -0.003 20 0 CBADRP [NH3+][C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccccc1 ZINC000573104987 327095046 /nfs/dbraw/zinc/09/50/46/327095046.db2.gz WZPLWMZWQAOTJS-UPJWGTAASA-N 2 0 288.351 -0.543 20 0 CBADRP O=C(NCCC[NH2+]C1CC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000565952095 327095175 /nfs/dbraw/zinc/09/51/75/327095175.db2.gz LUYLHPQHZKMAGZ-LBPRGKRZSA-N 2 0 292.387 -0.098 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000564453738 327121853 /nfs/dbraw/zinc/12/18/53/327121853.db2.gz NOATWHWEKXWYDK-MXWKQRLJSA-N 2 0 268.361 -0.963 20 0 CBADRP CC1CC[NH+](C[C@H](O)CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000564923127 327149584 /nfs/dbraw/zinc/14/95/84/327149584.db2.gz LAJZHNYSSBAARO-YNEHKIRRSA-N 2 0 287.379 -0.105 20 0 CBADRP CC[C@@H]([NH3+])C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000564930558 327160269 /nfs/dbraw/zinc/16/02/69/327160269.db2.gz RXCGLUBBCLNSTP-LLVKDONJSA-N 2 0 296.375 -0.763 20 0 CBADRP C[NH+](C)CCOCCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000566196228 327163083 /nfs/dbraw/zinc/16/30/83/327163083.db2.gz GAZHAFRIWKBOIK-GFCCVEGCSA-N 2 0 273.377 -0.551 20 0 CBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@H](C)C[NH3+])CC1 ZINC000569481231 327184014 /nfs/dbraw/zinc/18/40/14/327184014.db2.gz ARQMSACCSOIBMJ-LLVKDONJSA-N 2 0 285.388 -0.028 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000566212934 327196826 /nfs/dbraw/zinc/19/68/26/327196826.db2.gz IHDNFMWEHQAECK-UTUOFQBUSA-N 2 0 280.372 -0.935 20 0 CBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000564939815 327198923 /nfs/dbraw/zinc/19/89/23/327198923.db2.gz OTRLWSLDHSVNEV-RYUDHWBXSA-N 2 0 254.378 -0.604 20 0 CBADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000584299798 327229777 /nfs/dbraw/zinc/22/97/77/327229777.db2.gz VRMXRGGELIWTAR-YRGRVCCFSA-N 2 0 269.389 -0.054 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1CCC(=O)N1CC[NH2+]CC1 ZINC000566246199 327257987 /nfs/dbraw/zinc/25/79/87/327257987.db2.gz LVJBBCBEKSQWAB-LBPRGKRZSA-N 2 0 254.378 -0.508 20 0 CBADRP C[C@@](C[NH3+])(NC(=O)c1cn(CCCC[NH3+])nn1)C1CC1 ZINC000566246885 327258491 /nfs/dbraw/zinc/25/84/91/327258491.db2.gz MWRJQUKJHZCIAK-ZDUSSCGKSA-N 2 0 280.376 -0.126 20 0 CBADRP CN(C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)[C@@H](C[NH3+])C1CC1 ZINC000564954502 327258900 /nfs/dbraw/zinc/25/89/00/327258900.db2.gz JZKPVZLFOMJELA-YPMHNXCESA-N 2 0 292.387 -0.161 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000566248438 327260129 /nfs/dbraw/zinc/26/01/29/327260129.db2.gz CWPMEHBRLCNPOA-NWDGAFQWSA-N 2 0 280.372 -0.793 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCC[C@@H]2O)CC1 ZINC000564976437 327303851 /nfs/dbraw/zinc/30/38/51/327303851.db2.gz UYVBGCBQUGLZEL-MCIONIFRSA-N 2 0 271.405 -0.655 20 0 CBADRP CCC[C@H](C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)[NH+](C)C ZINC000560565167 327325051 /nfs/dbraw/zinc/32/50/51/327325051.db2.gz NXDDMHCCIKOPDE-VXGBXAGGSA-N 2 0 286.420 -0.101 20 0 CBADRP C[N@@H+]1CCC[C@H](CCNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000583371391 327329435 /nfs/dbraw/zinc/32/94/35/327329435.db2.gz FFMYNEWWWVFIDM-CQSZACIVSA-N 2 0 297.447 -0.077 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000560654638 327333865 /nfs/dbraw/zinc/33/38/65/327333865.db2.gz XEYXGWYUFBSKDB-LBPRGKRZSA-N 2 0 296.415 -0.251 20 0 CBADRP C[C@@]([NH2+]CCN1CC[NH2+]CC1)(C(N)=O)c1ccccc1 ZINC000564989559 327341312 /nfs/dbraw/zinc/34/13/12/327341312.db2.gz RCHXXRYOCLADEZ-HNNXBMFYSA-N 2 0 276.384 -0.118 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000578443046 327342041 /nfs/dbraw/zinc/34/20/41/327342041.db2.gz UFIMNROMVMAYJV-DCAQKATOSA-N 2 0 272.393 -0.315 20 0 CBADRP COC[C@@]1(C(=O)NCCCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000578889470 327352885 /nfs/dbraw/zinc/35/28/85/327352885.db2.gz PJGXKMQEPQVJGK-CQSZACIVSA-N 2 0 284.404 -0.976 20 0 CBADRP [NH3+]Cc1ccc(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000564999820 327356312 /nfs/dbraw/zinc/35/63/12/327356312.db2.gz BWIGOYKLUWKDNR-CYBMUJFWSA-N 2 0 290.367 -0.370 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000561183234 327372193 /nfs/dbraw/zinc/37/21/93/327372193.db2.gz VQVQJNQSAZANBB-UHFFFAOYSA-N 2 0 299.419 -0.551 20 0 CBADRP Cn1cncc1CCC[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000583449038 327372714 /nfs/dbraw/zinc/37/27/14/327372714.db2.gz ZFBKLAOGKOJKAA-OAHLLOKOSA-N 2 0 296.415 -0.022 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000574771946 327376936 /nfs/dbraw/zinc/37/69/36/327376936.db2.gz YRXNSVBUDDZWTM-WOPDTQHZSA-N 2 0 297.403 -0.720 20 0 CBADRP O=C(NC1C[NH2+]C1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000561256818 327380004 /nfs/dbraw/zinc/38/00/04/327380004.db2.gz QGUXOKATPVZGCX-CYBMUJFWSA-N 2 0 294.399 -0.449 20 0 CBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566497209 327399612 /nfs/dbraw/zinc/39/96/12/327399612.db2.gz XZAWKCTVFFXOLV-JHJVBQTASA-N 2 0 294.399 -0.369 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000562689940 327504922 /nfs/dbraw/zinc/50/49/22/327504922.db2.gz ZTHGIGGPQLCFKS-ZDUSSCGKSA-N 2 0 298.431 -0.051 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000562825475 327517391 /nfs/dbraw/zinc/51/73/91/327517391.db2.gz OCDLWQTXBPNPKR-CYBMUJFWSA-N 2 0 298.431 -0.050 20 0 CBADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000569695611 327536624 /nfs/dbraw/zinc/53/66/24/327536624.db2.gz DVUCWRFPUUBXDC-YNEHKIRRSA-N 2 0 281.400 -0.054 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC[NH+]1CCCCCC1 ZINC000572635937 327563380 /nfs/dbraw/zinc/56/33/80/327563380.db2.gz NIPJSVGRBPXXMG-CYBMUJFWSA-N 2 0 296.415 -0.153 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)COC1CC[NH2+]CC1 ZINC000570041242 327565168 /nfs/dbraw/zinc/56/51/68/327565168.db2.gz PESFZDMYGVFCBA-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000570682040 327610772 /nfs/dbraw/zinc/61/07/72/327610772.db2.gz OUWNYPPGDWJGOF-FRRDWIJNSA-N 2 0 294.399 -0.687 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000583563497 328612601 /nfs/dbraw/zinc/61/26/01/328612601.db2.gz ATAJCKARQBCWCU-UWVGGRQHSA-N 2 0 293.375 -0.459 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)C1COC1 ZINC000580387804 328800399 /nfs/dbraw/zinc/80/03/99/328800399.db2.gz XMRXJECOVQHUNX-UHFFFAOYSA-N 2 0 279.406 -0.860 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000571675995 328836984 /nfs/dbraw/zinc/83/69/84/328836984.db2.gz DXTWHYJMWCFGCP-SRVKXCTJSA-N 2 0 254.378 -0.524 20 0 CBADRP CC(C)[NH+]1CCC(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000567233401 328838282 /nfs/dbraw/zinc/83/82/82/328838282.db2.gz JGBGTWKHJCZNST-UHFFFAOYSA-N 2 0 296.415 -0.345 20 0 CBADRP [NH3+][C@H]1C[C@@H](C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000571683549 328852821 /nfs/dbraw/zinc/85/28/21/328852821.db2.gz TXDTVTFFLPGQFA-AEJSXWLSSA-N 2 0 294.321 -0.324 20 0 CBADRP C[C@H](NC(=O)C[C@H]1COCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000582296078 328952469 /nfs/dbraw/zinc/95/24/69/328952469.db2.gz ODFNSKWFGHEMDZ-TUAOUCFPSA-N 2 0 255.362 -0.131 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000582536658 329108475 /nfs/dbraw/zinc/10/84/75/329108475.db2.gz XJOYAQMBUSNEIK-YNEHKIRRSA-N 2 0 294.399 -0.402 20 0 CBADRP CSC[C@@H](O)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000582601731 329114163 /nfs/dbraw/zinc/11/41/63/329114163.db2.gz UHBGCOKKIMORJE-RYUDHWBXSA-N 2 0 261.435 -0.064 20 0 CBADRP C[C@H](C[NH3+])CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000582605361 329114916 /nfs/dbraw/zinc/11/49/16/329114916.db2.gz TVNQJPYMYPSQIT-RKDXNWHRSA-N 2 0 251.334 -0.189 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000582664518 329121388 /nfs/dbraw/zinc/12/13/88/329121388.db2.gz GPAOVROBSMXTMK-DTWKUNHWSA-N 2 0 251.334 -0.046 20 0 CBADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000582724613 329131021 /nfs/dbraw/zinc/13/10/21/329131021.db2.gz HBUGULAAGRJNCV-RYUDHWBXSA-N 2 0 282.388 -0.558 20 0 CBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000582737622 329134265 /nfs/dbraw/zinc/13/42/65/329134265.db2.gz OUYSEUBNJUXBIG-NSHDSACASA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@]1(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCC[NH2+]1 ZINC000582849595 329279957 /nfs/dbraw/zinc/27/99/57/329279957.db2.gz SMYOSSNXYPNZMQ-SWLSCSKDSA-N 2 0 296.415 -0.168 20 0 CBADRP C[NH+](C)CCCN1C(=O)C[C@H]([NH2+]CCn2cccn2)C1=O ZINC000582854070 329280671 /nfs/dbraw/zinc/28/06/71/329280671.db2.gz QHMOQZDXLNCTRR-LBPRGKRZSA-N 2 0 293.371 -0.448 20 0 CBADRP CN1CCN(C(=O)NC[C@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000582894791 329282243 /nfs/dbraw/zinc/28/22/43/329282243.db2.gz POCXMSLSSWLTAH-GHMZBOCLSA-N 2 0 255.366 -0.977 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N(C)C1(C[NH3+])CCC1 ZINC000582965808 329294889 /nfs/dbraw/zinc/29/48/89/329294889.db2.gz ZQCIKIIIZLIQCA-VIFPVBQESA-N 2 0 257.334 -0.393 20 0 CBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000583015072 329302775 /nfs/dbraw/zinc/30/27/75/329302775.db2.gz MSCBDZAFHLFMIY-LLVKDONJSA-N 2 0 282.388 -0.735 20 0 CBADRP CC(C)(C)[NH2+]CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000583083465 329312011 /nfs/dbraw/zinc/31/20/11/329312011.db2.gz SMEAUHADRHXTIF-JTQLQIEISA-N 2 0 270.377 -0.641 20 0 CBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])C[N@@H+]1C1CC1 ZINC000583095547 329315441 /nfs/dbraw/zinc/31/54/41/329315441.db2.gz NCCHQMVRPJEWFV-WDEREUQCSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)[N@H+](C)C1CC1 ZINC000583132922 329319021 /nfs/dbraw/zinc/31/90/21/329319021.db2.gz KJPUDSQMWAAMSG-WCQYABFASA-N 2 0 283.420 -0.328 20 0 CBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)[C@@H]2C1 ZINC000583194021 329355916 /nfs/dbraw/zinc/35/59/16/329355916.db2.gz PZMZLZFWJPRTES-NWDGAFQWSA-N 2 0 294.399 -0.463 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000564086420 329668860 /nfs/dbraw/zinc/66/88/60/329668860.db2.gz YPOXEZZGFYOCTF-NXEZZACHSA-N 2 0 257.334 -0.393 20 0 CBADRP C[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC000572032922 329939143 /nfs/dbraw/zinc/93/91/43/329939143.db2.gz FZXPKYHFCDOCLM-GMTAPVOTSA-N 2 0 268.361 -0.937 20 0 CBADRP CC(C)([NH3+])CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000572241047 329960391 /nfs/dbraw/zinc/96/03/91/329960391.db2.gz IUCBVWCPDJWBKI-MRVPVSSYSA-N 2 0 251.334 -0.046 20 0 CBADRP CC[S@@](=O)CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000572332895 329982230 /nfs/dbraw/zinc/98/22/30/329982230.db2.gz GLDBLZNILWULNX-GOSISDBHSA-N 2 0 277.434 -0.293 20 0 CBADRP COC[C@]1(CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CCC[NH2+]1 ZINC000572361842 330002247 /nfs/dbraw/zinc/00/22/47/330002247.db2.gz BFPSZOXUCALBQX-MRVWCRGKSA-N 2 0 267.373 -0.129 20 0 CBADRP COC[C@]1(CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CCC[NH2+]1 ZINC000572361840 330002321 /nfs/dbraw/zinc/00/23/21/330002321.db2.gz BFPSZOXUCALBQX-IACUBPJLSA-N 2 0 267.373 -0.129 20 0 CBADRP O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000572379781 330021080 /nfs/dbraw/zinc/02/10/80/330021080.db2.gz QAVRTHYKAVUBRX-HIFPTAJRSA-N 2 0 294.399 -0.402 20 0 CBADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000574993042 330125798 /nfs/dbraw/zinc/12/57/98/330125798.db2.gz FHDZVXTYHJXERV-WOPDTQHZSA-N 2 0 275.418 -0.002 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000575763500 335113431 /nfs/dbraw/zinc/11/34/31/335113431.db2.gz VYUIRUOMNXIYRL-NWDGAFQWSA-N 2 0 270.377 -0.242 20 0 CBADRP O=C(NC[C@@H]1CCC[NH2+]C1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000566972600 334671397 /nfs/dbraw/zinc/67/13/97/334671397.db2.gz MDQJIZTVEUACMS-NEPJUHHUSA-N 2 0 292.387 -0.241 20 0 CBADRP [NH3+]C1CCC(OCC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000567109928 334681952 /nfs/dbraw/zinc/68/19/52/334681952.db2.gz IOBZZMODJWKAFM-DZZVYXNESA-N 2 0 253.346 -0.393 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000575814423 335118494 /nfs/dbraw/zinc/11/84/94/335118494.db2.gz MQBCTXPILMPBHS-AAEUAGOBSA-N 2 0 255.362 -0.489 20 0 CBADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000572520486 333115098 /nfs/dbraw/zinc/11/50/98/333115098.db2.gz NDAMKWXBXGYQLG-UONOGXRCSA-N 2 0 299.415 -0.034 20 0 CBADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000572520485 333115112 /nfs/dbraw/zinc/11/51/12/333115112.db2.gz NDAMKWXBXGYQLG-KGLIPLIRSA-N 2 0 299.415 -0.034 20 0 CBADRP COC(=O)CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000172771743 335121700 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COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000576157918 335162061 /nfs/dbraw/zinc/16/20/61/335162061.db2.gz WGCLTCRECBHQRP-QWRGUYRKSA-N 2 0 271.361 -0.133 20 0 CBADRP CCCN(C(=O)C[C@H]1C[NH2+]CCO1)[C@@H]1CC[NH2+]C1 ZINC000576225444 335173477 /nfs/dbraw/zinc/17/34/77/335173477.db2.gz MBUGDOALIIHENO-NEPJUHHUSA-N 2 0 255.362 -0.035 20 0 CBADRP C[NH+](C)CCN1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC000564319623 334085593 /nfs/dbraw/zinc/08/55/93/334085593.db2.gz JPWWEDFLDXFNRZ-HNNXBMFYSA-N 2 0 295.431 -0.140 20 0 CBADRP Cn1nncc1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000554875387 334458324 /nfs/dbraw/zinc/45/83/24/334458324.db2.gz BNJHVPGILKEANG-UHFFFAOYSA-N 2 0 254.382 -0.260 20 0 CBADRP CC[C@H](C)[C@@H](O)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000564656967 334515282 /nfs/dbraw/zinc/51/52/82/334515282.db2.gz OPGLJBMCBHERPW-IHRRRGAJSA-N 2 0 273.421 -0.409 20 0 CBADRP CC(C)(C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CC[NH2+]CC1 ZINC000564932918 334528955 /nfs/dbraw/zinc/52/89/55/334528955.db2.gz AHFZJXZUFPVUFL-QWHCGFSZSA-N 2 0 280.416 -0.262 20 0 CBADRP CC(C)(C[NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000564933659 334529067 /nfs/dbraw/zinc/52/90/67/334529067.db2.gz MEKJHGWHIPFQMA-NSHDSACASA-N 2 0 254.378 -0.523 20 0 CBADRP CC(C)(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CC[NH2+]CC1 ZINC000564932917 334529162 /nfs/dbraw/zinc/52/91/62/334529162.db2.gz AHFZJXZUFPVUFL-OLZOCXBDSA-N 2 0 280.416 -0.262 20 0 CBADRP CCS(=O)(=O)NCCC[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000564971265 334531419 /nfs/dbraw/zinc/53/14/19/334531419.db2.gz UKPAUFGJOODCJL-NSHDSACASA-N 2 0 263.407 -0.095 20 0 CBADRP CCC([NH3+])(CC)CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000564945865 334529818 /nfs/dbraw/zinc/52/98/18/334529818.db2.gz NQGRWUGOKNUGPL-SNVBAGLBSA-N 2 0 270.377 -0.512 20 0 CBADRP C[C@H](C[NH3+])NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000564950356 334530117 /nfs/dbraw/zinc/53/01/17/334530117.db2.gz SMZZHJRFDQLRGC-VWMGYNLJSA-N 2 0 255.362 -0.018 20 0 CBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000564954390 334530310 /nfs/dbraw/zinc/53/03/10/334530310.db2.gz MTXHJVIPFSPKEY-NWJSVONSSA-N 2 0 297.399 -0.377 20 0 CBADRP CS(=O)(=O)N1CCC[C@@H]1C[NH2+]CC1CC[NH2+]CC1 ZINC000564973358 334531250 /nfs/dbraw/zinc/53/12/50/334531250.db2.gz BSCPWVVWNXGUII-GFCCVEGCSA-N 2 0 275.418 0.000 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)[C@]2(COC)CC[NH2+]C2)CC1 ZINC000565149485 334540686 /nfs/dbraw/zinc/54/06/86/334540686.db2.gz RNHNNIYGRPRZKV-OAHLLOKOSA-N 2 0 299.415 -0.161 20 0 CBADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000565299545 334550680 /nfs/dbraw/zinc/55/06/80/334550680.db2.gz WKEKIWQCBONRQA-GHMZBOCLSA-N 2 0 268.361 -0.948 20 0 CBADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000565549461 334573650 /nfs/dbraw/zinc/57/36/50/334573650.db2.gz HJGYGBRGWQXTCC-ZDUSSCGKSA-N 2 0 296.415 -0.345 20 0 CBADRP COC[C@@]1(C(=O)NCC2=CC[NH2+]CC2)CC[NH2+]C1 ZINC000566099087 334622204 /nfs/dbraw/zinc/62/22/04/334622204.db2.gz HBRFPMOXJWUHOA-CYBMUJFWSA-N 2 0 253.346 -0.352 20 0 CBADRP C[C@@](C[NH3+])(NC(=O)c1cn(CCC[NH3+])nn1)C1CC1 ZINC000566100403 334622410 /nfs/dbraw/zinc/62/24/10/334622410.db2.gz MPVHTHXGJMWUHR-LBPRGKRZSA-N 2 0 266.349 -0.516 20 0 CBADRP C[NH+](C)CCN1CCC([NH2+]CCC(=O)NC(N)=O)CC1 ZINC000566121150 334625438 /nfs/dbraw/zinc/62/54/38/334625438.db2.gz YLGXHDITYCGSOM-UHFFFAOYSA-N 2 0 285.392 -0.813 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000566200435 334635424 /nfs/dbraw/zinc/63/54/24/334635424.db2.gz KZRATRDOTHFNML-GHMZBOCLSA-N 2 0 268.361 -0.935 20 0 CBADRP C[C@@]1(C[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000566229755 334637039 /nfs/dbraw/zinc/63/70/39/334637039.db2.gz MOAPDUFBLZMQRC-VXGBXAGGSA-N 2 0 275.418 -0.143 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000566246862 334638609 /nfs/dbraw/zinc/63/86/09/334638609.db2.gz JBIJLWMCRFVFOR-CABZTGNLSA-N 2 0 259.350 -0.244 20 0 CBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCC[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000566572191 334656004 /nfs/dbraw/zinc/65/60/04/334656004.db2.gz AHIIZLSDSJAQEN-GRYCIOLGSA-N 2 0 295.387 -0.918 20 0 CBADRP CN(C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H]1CC[NH2+]C1 ZINC000566796827 334664542 /nfs/dbraw/zinc/66/45/42/334664542.db2.gz OFXAYTQIUADPKP-NEPJUHHUSA-N 2 0 254.378 -0.523 20 0 CBADRP CN1CC[NH2+]C[C@@H]1CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000567271655 334699718 /nfs/dbraw/zinc/69/97/18/334699718.db2.gz DZDRSRWVCPQGQG-LXTVHRRPSA-N 2 0 282.432 -0.363 20 0 CBADRP O=C(CCOC1C[NH2+]C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000567350360 334707121 /nfs/dbraw/zinc/70/71/21/334707121.db2.gz BZKCXIXECGDDCU-AWEZNQCLSA-N 2 0 267.373 -0.033 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000567586571 334737465 /nfs/dbraw/zinc/73/74/65/334737465.db2.gz YMBFPVQRZLTHGG-LLVKDONJSA-N 2 0 253.346 -0.329 20 0 CBADRP CN1CCN(C(=O)c2ccc(C[NH3+])cc2)[C@@H](C[NH3+])C1 ZINC000567732143 334756516 /nfs/dbraw/zinc/75/65/16/334756516.db2.gz UPLNVFAHLPEIKY-ZDUSSCGKSA-N 2 0 262.357 -0.140 20 0 CBADRP C[NH+](C)C[C@@H]1CCCN1C(=O)c1cn(CCC[NH3+])nn1 ZINC000567822831 334764864 /nfs/dbraw/zinc/76/48/64/334764864.db2.gz YOKFHXYAAQLQTL-NSHDSACASA-N 2 0 280.376 -0.207 20 0 CBADRP C[NH+](C)[C@@H]1CCCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000567825566 334765143 /nfs/dbraw/zinc/76/51/43/334765143.db2.gz RIJIYJRWEXXXKV-LLVKDONJSA-N 2 0 255.362 -0.083 20 0 CBADRP O=C(N[C@H]1CCC[NH2+]C1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000567838608 334766836 /nfs/dbraw/zinc/76/68/36/334766836.db2.gz MJWAIYVULUUPEV-WDEREUQCSA-N 2 0 278.360 -0.488 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000568087103 334791200 /nfs/dbraw/zinc/79/12/00/334791200.db2.gz NXNSEYHLYXRZMN-FRRDWIJNSA-N 2 0 267.373 -0.177 20 0 CBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000568290517 334812842 /nfs/dbraw/zinc/81/28/42/334812842.db2.gz LKICURDJCQDPFL-NWDGAFQWSA-N 2 0 297.403 -0.623 20 0 CBADRP O=C(C[C@@H]1CCC[NH2+]1)NCCCN1CC[NH2+]CC1 ZINC000158840913 334814826 /nfs/dbraw/zinc/81/48/26/334814826.db2.gz UELIXVNZJFRZPI-LBPRGKRZSA-N 2 0 254.378 -0.460 20 0 CBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000568391232 334822092 /nfs/dbraw/zinc/82/20/92/334822092.db2.gz KJYHFCIPEBTABN-RYUDHWBXSA-N 2 0 254.378 -0.604 20 0 CBADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000568513261 334828263 /nfs/dbraw/zinc/82/82/63/334828263.db2.gz QQQAOSASSWHXEL-VIFPVBQESA-N 2 0 259.350 -0.099 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000569204958 334861070 /nfs/dbraw/zinc/86/10/70/334861070.db2.gz ZYGNZPUSIOWUIR-LBPRGKRZSA-N 3 0 273.425 -0.142 20 0 CBADRP [NH3+]C[C@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)CCCO1 ZINC000573119334 334909973 /nfs/dbraw/zinc/90/99/73/334909973.db2.gz OILDNEXSXPVGBM-RYUDHWBXSA-N 2 0 271.361 -0.669 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCN2C)[C@H](C)C[NH2+]1 ZINC000576374237 335196082 /nfs/dbraw/zinc/19/60/82/335196082.db2.gz VNCDZBKVDQYTKA-IJLUTSLNSA-N 2 0 269.393 -0.718 20 0 CBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCN2C)[C@@H](C)C[NH2+]1 ZINC000576374236 335196136 /nfs/dbraw/zinc/19/61/36/335196136.db2.gz VNCDZBKVDQYTKA-GRYCIOLGSA-N 2 0 269.393 -0.718 20 0 CBADRP NC(=O)NC(=O)CC[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000576399490 335198797 /nfs/dbraw/zinc/19/87/97/335198797.db2.gz MTRXXXQTPUDXOL-NSHDSACASA-N 2 0 286.376 -0.602 20 0 CBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC(F)(F)CN ZINC000580540852 335204011 /nfs/dbraw/zinc/20/40/11/335204011.db2.gz XIUPDYPBJJNUKB-UHFFFAOYSA-N 2 0 295.378 -0.285 20 0 CBADRP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000576493938 335211384 /nfs/dbraw/zinc/21/13/84/335211384.db2.gz NSJYXIHSGOGBDQ-OLZOCXBDSA-N 2 0 296.415 -0.345 20 0 CBADRP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000576493936 335211501 /nfs/dbraw/zinc/21/15/01/335211501.db2.gz NSJYXIHSGOGBDQ-CHWSQXEVSA-N 2 0 296.415 -0.345 20 0 CBADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000576574361 335220355 /nfs/dbraw/zinc/22/03/55/335220355.db2.gz CMNPOKWMINEIMY-CABCVRRESA-N 2 0 285.432 -0.047 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)CC2(C[NH3+])CC2)CC1 ZINC000576582381 335221991 /nfs/dbraw/zinc/22/19/91/335221991.db2.gz YGPDIIVTVUKDOA-UHFFFAOYSA-N 2 0 268.405 -0.131 20 0 CBADRP C[N@H+](C[C@H](O)CN[C@H]1CCC[NH+](CCCO)C1)C1CC1 ZINC000576583835 335222120 /nfs/dbraw/zinc/22/21/20/335222120.db2.gz FDSLCEYHOFJPKS-DZGCQCFKSA-N 2 0 285.432 -0.122 20 0 CBADRP C[N@H+](C[C@H](O)CN[C@@H]1CCC[NH+](CCCO)C1)C1CC1 ZINC000576583838 335222166 /nfs/dbraw/zinc/22/21/66/335222166.db2.gz FDSLCEYHOFJPKS-UKRRQHHQSA-N 2 0 285.432 -0.122 20 0 CBADRP [NH3+]CCCn1cc(C(=O)NCCC[C@@H]2CCC[NH2+]2)nn1 ZINC000576696480 335235818 /nfs/dbraw/zinc/23/58/18/335235818.db2.gz SFADTZOYGDSVPS-NSHDSACASA-N 2 0 280.376 -0.111 20 0 CBADRP Cc1ncc(C[NH2+]CCNC(=O)c2ccn[nH]2)n1C ZINC000576719415 335240153 /nfs/dbraw/zinc/24/01/53/335240153.db2.gz XBMVMSMXGSOWDM-UHFFFAOYSA-N 2 0 262.317 -0.029 20 0 CBADRP CN(C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[C@@H]1CC[NH2+]C1 ZINC000576753821 335243348 /nfs/dbraw/zinc/24/33/48/335243348.db2.gz ZKRLGBZGAHFYKA-NXEZZACHSA-N 2 0 263.345 -0.080 20 0 CBADRP [NH3+]CCC1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000576881289 335259653 /nfs/dbraw/zinc/25/96/53/335259653.db2.gz YBSVAKHBTKDHPE-UHFFFAOYSA-N 3 0 268.405 -0.131 20 0 CBADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000576941053 335267084 /nfs/dbraw/zinc/26/70/84/335267084.db2.gz SOLCGZFAYWOZRP-RYUDHWBXSA-N 2 0 252.362 -0.756 20 0 CBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000576943369 335267283 /nfs/dbraw/zinc/26/72/83/335267283.db2.gz FILREGIJNKYZPG-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP C[C@H](O)CN1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000576966297 335271152 /nfs/dbraw/zinc/27/11/52/335271152.db2.gz ZRRGWDHPYZVEPL-QWHCGFSZSA-N 2 0 284.404 -0.164 20 0 CBADRP CN(CCN1CCOCC1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000580557336 335280262 /nfs/dbraw/zinc/28/02/62/335280262.db2.gz BDRAYTXMOZFNIF-GFCCVEGCSA-N 2 0 271.361 -0.845 20 0 CBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000580566435 335282938 /nfs/dbraw/zinc/28/29/38/335282938.db2.gz SWMTUDPCOUNILD-WCQYABFASA-N 2 0 254.378 -0.604 20 0 CBADRP CNC(=O)CCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000577073495 335295741 /nfs/dbraw/zinc/29/57/41/335295741.db2.gz SHPMPXRBXQXYKS-UHFFFAOYSA-N 2 0 298.431 -0.098 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)C)C[C@@H](C)[NH2+]1 ZINC000580638987 335308780 /nfs/dbraw/zinc/30/87/80/335308780.db2.gz DPADYUNGCQTGPT-VXGBXAGGSA-N 2 0 284.404 -0.395 20 0 CBADRP C[C@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)C)C[C@H](C)[NH2+]1 ZINC000580638973 335308843 /nfs/dbraw/zinc/30/88/43/335308843.db2.gz DPADYUNGCQTGPT-RYUDHWBXSA-N 2 0 284.404 -0.395 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000580647006 335310856 /nfs/dbraw/zinc/31/08/56/335310856.db2.gz VNIIJTJBJVXYQE-VXGBXAGGSA-N 2 0 282.388 -0.606 20 0 CBADRP CC1(C)CN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC[NH2+]1 ZINC000577372889 335344192 /nfs/dbraw/zinc/34/41/92/335344192.db2.gz YCQQLCLVWMFKCC-LLVKDONJSA-N 2 0 292.387 -0.146 20 0 CBADRP C[C@H]1CN(CCC(=O)N2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000577373821 335344438 /nfs/dbraw/zinc/34/44/38/335344438.db2.gz UBAOMHGKNYYXNF-RYUDHWBXSA-N 2 0 254.378 -0.510 20 0 CBADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000577395196 335347984 /nfs/dbraw/zinc/34/79/84/335347984.db2.gz HSBDJKUBMXCAGI-CYBMUJFWSA-N 3 0 284.404 -0.895 20 0 CBADRP CC1(C(=O)N2CCC(OCCC[NH3+])CC2)C[NH2+]C1 ZINC000577491277 335353427 /nfs/dbraw/zinc/35/34/27/335353427.db2.gz MVGAZVZRTXMDRB-UHFFFAOYSA-N 2 0 255.362 -0.048 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000577493898 335359046 /nfs/dbraw/zinc/35/90/46/335359046.db2.gz HDLVLJVTDFRXQE-UMSGYPCISA-N 2 0 283.372 -0.705 20 0 CBADRP C[N@H+](CCCNC(=O)C(=O)NC1C[NH2+]C1)C1CCCCC1 ZINC000577714009 335391461 /nfs/dbraw/zinc/39/14/61/335391461.db2.gz VTTGHNSGUQCVAN-UHFFFAOYSA-N 2 0 296.415 -0.155 20 0 CBADRP C[N@H+](C[C@H](O)CN[C@@H]1C[C@@H](O)[C@H]1n1cccn1)C1CC1 ZINC000577729841 335393317 /nfs/dbraw/zinc/39/33/17/335393317.db2.gz DBJOTZTYGULQAT-SYQHCUMBSA-N 2 0 280.372 -0.398 20 0 CBADRP C[N@H+](C[C@H](O)CN[C@@H]1C[C@H](O)[C@H]1n1cccn1)C1CC1 ZINC000577729840 335393385 /nfs/dbraw/zinc/39/33/85/335393385.db2.gz DBJOTZTYGULQAT-MQYQWHSLSA-N 2 0 280.372 -0.398 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)CC[NH2+]C2CC2)CC1 ZINC000577745816 335396148 /nfs/dbraw/zinc/39/61/48/335396148.db2.gz WKJLUUWMLVQISQ-UHFFFAOYSA-N 2 0 268.405 -0.118 20 0 CBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000577751529 335397375 /nfs/dbraw/zinc/39/73/75/335397375.db2.gz JIZWKRPQLUUPGZ-TUAOUCFPSA-N 2 0 284.404 -0.219 20 0 CBADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000577769358 335399904 /nfs/dbraw/zinc/39/99/04/335399904.db2.gz IYKNCRJSSRIECA-OLZOCXBDSA-N 2 0 282.388 -0.288 20 0 CBADRP [NH3+]CCCCn1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nn1 ZINC000578068046 335477393 /nfs/dbraw/zinc/47/73/93/335477393.db2.gz JPJKQLPQNUHVOZ-TXEJJXNPSA-N 2 0 292.387 -0.017 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]C1 ZINC000578321625 335607861 /nfs/dbraw/zinc/60/78/61/335607861.db2.gz PDFSEWCBDMMNTQ-GVXVVHGQSA-N 2 0 255.362 -0.131 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000578352324 335618028 /nfs/dbraw/zinc/61/80/28/335618028.db2.gz SJVJDNMYVFAEQL-RYUDHWBXSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000578507464 335642599 /nfs/dbraw/zinc/64/25/99/335642599.db2.gz RUFWTDCDQAOMBM-MNOVXSKESA-N 2 0 296.415 -0.029 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000578521925 335644929 /nfs/dbraw/zinc/64/49/29/335644929.db2.gz SMXXSEWJLXLZIR-NOOOWODRSA-N 2 0 255.362 -0.132 20 0 CBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCC[C@H]1CCC[NH2+]1 ZINC000578625699 335655370 /nfs/dbraw/zinc/65/53/70/335655370.db2.gz GPLFZELVDFTWAP-CHWSQXEVSA-N 2 0 296.415 -0.107 20 0 CBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000578866159 335682232 /nfs/dbraw/zinc/68/22/32/335682232.db2.gz JWEPOXCCNKLMAO-SFYZADRCSA-N 2 0 279.287 -0.620 20 0 CBADRP COC[C@]1(C(=O)NCCCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000578889468 335685878 /nfs/dbraw/zinc/68/58/78/335685878.db2.gz PJGXKMQEPQVJGK-AWEZNQCLSA-N 2 0 284.404 -0.976 20 0 CBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000579110583 335710380 /nfs/dbraw/zinc/71/03/80/335710380.db2.gz BWGIBUDCWONTGS-YIZRAAEISA-N 2 0 263.288 -0.523 20 0 CBADRP C[C@H]([NH3+])CCC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000579234184 335721468 /nfs/dbraw/zinc/72/14/68/335721468.db2.gz PXVLLHAPIQDBCG-RYUDHWBXSA-N 2 0 254.378 -0.380 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000579351658 335737534 /nfs/dbraw/zinc/73/75/34/335737534.db2.gz WTTSILMVHPKEON-UWVGGRQHSA-N 2 0 266.349 -0.503 20 0 CBADRP COC[C@@]1(CNC(=O)[C@@]2(C)CC[NH2+]C2)CCC[NH2+]1 ZINC000579823708 335894662 /nfs/dbraw/zinc/89/46/62/335894662.db2.gz FBIMKCSUMRUTHK-STQMWFEESA-N 2 0 255.362 -0.129 20 0 CBADRP COC[C@]1(CNC(=O)[C@]2(C)CC[NH2+]C2)CCC[NH2+]1 ZINC000579823704 335896493 /nfs/dbraw/zinc/89/64/93/335896493.db2.gz FBIMKCSUMRUTHK-CHWSQXEVSA-N 2 0 255.362 -0.129 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000580775399 335965379 /nfs/dbraw/zinc/96/53/79/335965379.db2.gz VECCSQXSUOERQQ-GVXVVHGQSA-N 2 0 282.388 -0.704 20 0 CBADRP CO[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C[NH3+])C1 ZINC000580946826 335987480 /nfs/dbraw/zinc/98/74/80/335987480.db2.gz BPHKXVNOGCTSFX-DDHJBXDOSA-N 2 0 255.362 -0.193 20 0 CBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000581010361 335995859 /nfs/dbraw/zinc/99/58/59/335995859.db2.gz CNIHMLSSUZNHGB-DCAQKATOSA-N 2 0 270.377 -0.717 20 0 CBADRP CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000581061072 336001983 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C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000581427661 336075518 /nfs/dbraw/zinc/07/55/18/336075518.db2.gz CYAQKQVZZODEJA-VXGBXAGGSA-N 2 0 271.409 -0.293 20 0 CBADRP O=C(C[NH2+]C1CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000581427992 336075752 /nfs/dbraw/zinc/07/57/52/336075752.db2.gz XZSYKSSQSAOJMR-GFCCVEGCSA-N 2 0 252.362 -0.756 20 0 CBADRP COCC1(CNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC[NH2+]CC1 ZINC000581602906 336110169 /nfs/dbraw/zinc/11/01/69/336110169.db2.gz ZSGOPOMPUUJGMZ-NWDGAFQWSA-N 2 0 285.388 -0.504 20 0 CBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000581667503 336125334 /nfs/dbraw/zinc/12/53/34/336125334.db2.gz CKGVSMZOUSKEBO-GHMZBOCLSA-N 2 0 265.361 -0.186 20 0 CBADRP C[C@H]([NH3+])[C@H](C)NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000581667505 336125339 /nfs/dbraw/zinc/12/53/39/336125339.db2.gz CKGVSMZOUSKEBO-QWRGUYRKSA-N 2 0 265.361 -0.186 20 0 CBADRP CC(C)[C@H](CNC(=O)[C@H]1CC[NH2+]1)N1CC[NH+](C)CC1 ZINC000384754219 336130549 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C[C@]1(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH2+]C1 ZINC000831031367 582950829 /nfs/dbraw/zinc/95/08/29/582950829.db2.gz OJTOBBMSBKNHAB-SCRDCRAPSA-N 2 0 282.388 -0.099 20 0 CBADRP C[C@]1(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH2+]C1 ZINC000831031365 582950869 /nfs/dbraw/zinc/95/08/69/582950869.db2.gz OJTOBBMSBKNHAB-OBJOEFQTSA-N 2 0 282.388 -0.099 20 0 CBADRP [NH3+]CC(=O)NCC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000831089173 582956551 /nfs/dbraw/zinc/95/65/51/582956551.db2.gz UVWDVYFRGQBUKP-UHFFFAOYSA-N 2 0 296.415 -0.025 20 0 CBADRP O=C(N1CC[C@H](N2CC[NH2+]CC2)C1)[C@]1(F)CC[NH2+]C1 ZINC000831644202 582991973 /nfs/dbraw/zinc/99/19/73/582991973.db2.gz QQOUOPNQUYWFGJ-AAEUAGOBSA-N 2 0 270.352 -0.806 20 0 CBADRP O=C(N1CC[C@@H](N2CC[NH2+]CC2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000831644203 582991982 /nfs/dbraw/zinc/99/19/82/582991982.db2.gz QQOUOPNQUYWFGJ-DGCLKSJQSA-N 2 0 270.352 -0.806 20 0 CBADRP CC[NH+]1CCN(CCNC(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000831822642 583004139 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ZINC000834447962 583123368 /nfs/dbraw/zinc/12/33/68/583123368.db2.gz GZSLAPLJEZKUMC-GFCCVEGCSA-N 2 0 267.373 -0.033 20 0 CBADRP C[C@@H](CCC[NH3+])NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000834813742 583136844 /nfs/dbraw/zinc/13/68/44/583136844.db2.gz VTVOIUNNOCVPHV-QMMMGPOBSA-N 2 0 251.334 -0.087 20 0 CBADRP C[NH+](C)CCNC(=S)NC[C@H]1CCC[N@@H+]1CCCO ZINC000840778906 583167543 /nfs/dbraw/zinc/16/75/43/583167543.db2.gz HFKHLVGTURBFPM-GFCCVEGCSA-N 2 0 288.461 -0.141 20 0 CBADRP CC[C@H]([NH3+])CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000841789762 583174113 /nfs/dbraw/zinc/17/41/13/583174113.db2.gz QMHPBRZLJZUHGS-TUAOUCFPSA-N 2 0 270.377 -0.114 20 0 CBADRP C[C@@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000841849251 583174836 /nfs/dbraw/zinc/17/48/36/583174836.db2.gz FHPYYBBJFNOJRZ-GRYCIOLGSA-N 2 0 255.362 -0.036 20 0 CBADRP CC1(C)CN(C(=O)CO[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000841854974 583175296 /nfs/dbraw/zinc/17/52/96/583175296.db2.gz DBUBFZLIZFKGCK-NSHDSACASA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000842014295 583177692 /nfs/dbraw/zinc/17/76/92/583177692.db2.gz BUWQELYUHKIDIL-NEPJUHHUSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[NH+]1CCCCC1 ZINC000842014239 583177851 /nfs/dbraw/zinc/17/78/51/583177851.db2.gz ATQAXNBRRXCODT-WCQYABFASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000842016901 583177996 /nfs/dbraw/zinc/17/79/96/583177996.db2.gz ZBDUIUAVNKYOPZ-RYUDHWBXSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[NH+]1CCCCC1 ZINC000842016917 583178103 /nfs/dbraw/zinc/17/81/03/583178103.db2.gz ZNZLGMSLSUUCQB-RYUDHWBXSA-N 2 0 282.388 -0.545 20 0 CBADRP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000842016897 583178149 /nfs/dbraw/zinc/17/81/49/583178149.db2.gz ZBDUIUAVNKYOPZ-NEPJUHHUSA-N 2 0 284.404 -0.170 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[NH+]1CCCCC1 ZINC000842015247 583178185 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Cc1ccc([C@@H](O)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)o1 ZINC000843086361 583201133 /nfs/dbraw/zinc/20/11/33/583201133.db2.gz IKPVWIIYXTWFRN-KBPBESRZSA-N 2 0 297.399 -0.181 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)NCCCCCC[NH3+])CC1 ZINC000843259708 583205044 /nfs/dbraw/zinc/20/50/44/583205044.db2.gz QXZWDACVJWOSJM-UHFFFAOYSA-N 2 0 284.404 -0.168 20 0 CBADRP [NH3+]C[C@@H]1CCCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000843320869 583208534 /nfs/dbraw/zinc/20/85/34/583208534.db2.gz UQAUZWBUCDEXHU-NWDGAFQWSA-N 2 0 255.362 -0.048 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H]1CCC[NH2+]C1 ZINC000843318579 583208609 /nfs/dbraw/zinc/20/86/09/583208609.db2.gz FYZSECPAEUGAPS-NWDGAFQWSA-N 2 0 255.362 -0.129 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)NC[C@@H]1CCC[NH2+]C1 ZINC000843318578 583208615 /nfs/dbraw/zinc/20/86/15/583208615.db2.gz FYZSECPAEUGAPS-NEPJUHHUSA-N 2 0 255.362 -0.129 20 0 CBADRP C[NH2+][C@@H]1CCCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000843326860 583208963 /nfs/dbraw/zinc/20/89/63/583208963.db2.gz XESSOYUYSUPFOC-VXGBXAGGSA-N 2 0 255.362 -0.035 20 0 CBADRP C[C@](C[NH3+])(NC(=O)CO[C@H]1CCC[NH2+]C1)C1CC1 ZINC000843344182 583210852 /nfs/dbraw/zinc/21/08/52/583210852.db2.gz TVYGIDAESWKSAV-WCQYABFASA-N 2 0 255.362 -0.001 20 0 CBADRP CC1(C)C[NH2+]CCN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000843351800 583211616 /nfs/dbraw/zinc/21/16/16/583211616.db2.gz DRFNEORLQYBQBS-UHFFFAOYSA-N 2 0 263.345 -0.121 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)CCO1 ZINC000843357991 583212557 /nfs/dbraw/zinc/21/25/57/583212557.db2.gz VIKHOWNEVFDRAM-TUAOUCFPSA-N 2 0 271.361 -0.670 20 0 CBADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCN1CCOC1=O ZINC000843377326 583213750 /nfs/dbraw/zinc/21/37/50/583213750.db2.gz TVIVFEWFGNOSRN-LBPRGKRZSA-N 2 0 298.387 -0.242 20 0 CBADRP O=C(CCN1CC[C@@]2(CCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000843389962 583214469 /nfs/dbraw/zinc/21/44/69/583214469.db2.gz DQYBHJJSDMWMIF-AWEZNQCLSA-N 2 0 266.389 -0.364 20 0 CBADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCNCC1=O ZINC000843452141 583220972 /nfs/dbraw/zinc/22/09/72/583220972.db2.gz OSHDXKUPWZZURA-YOGCLGLASA-N 2 0 280.372 -0.711 20 0 CBADRP COCC[NH2+]CCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843452584 583221060 /nfs/dbraw/zinc/22/10/60/583221060.db2.gz HVMQKWKNNJMGPS-NSHDSACASA-N 2 0 259.350 -0.893 20 0 CBADRP C[N@@H+]1CCCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000843463129 583223595 /nfs/dbraw/zinc/22/35/95/583223595.db2.gz ZIBJGJPCYBQIGO-LBPRGKRZSA-N 2 0 255.362 -0.081 20 0 CBADRP C[C@@]1(C[NH3+])CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000843472309 583224575 /nfs/dbraw/zinc/22/45/75/583224575.db2.gz AMDCBOBEMHHTAD-YPMHNXCESA-N 2 0 255.362 -0.048 20 0 CBADRP COCC1(CNC(=O)CO[C@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000843475453 583225050 /nfs/dbraw/zinc/22/50/50/583225050.db2.gz UXJSSLBJXIZYCI-ZDUSSCGKSA-N 2 0 299.415 -0.113 20 0 CBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000843475888 583225569 /nfs/dbraw/zinc/22/55/69/583225569.db2.gz BCEUJPUGJGRBFE-SKDRFNHKSA-N 2 0 273.308 -0.949 20 0 CBADRP [NH3+]CC[C@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)C(F)F ZINC000843483136 583226712 /nfs/dbraw/zinc/22/67/12/583226712.db2.gz DQFVTRGPMHGYAV-BDAKNGLRSA-N 2 0 265.304 -0.146 20 0 CBADRP CC[NH2+]CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000843486221 583227219 /nfs/dbraw/zinc/22/72/19/583227219.db2.gz ZNFRXYYCQKIRRD-YPMHNXCESA-N 2 0 255.362 -0.049 20 0 CBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000843487147 583227321 /nfs/dbraw/zinc/22/73/21/583227321.db2.gz ZXWIZDVYHSJGGU-WOPDTQHZSA-N 2 0 255.362 -0.001 20 0 CBADRP O=C(CO[C@H]1CCC[NH2+]C1)NC[C@H]1C[NH2+]CCCO1 ZINC000843486542 583227374 /nfs/dbraw/zinc/22/73/74/583227374.db2.gz UMLLYDUXULJEPK-NWDGAFQWSA-N 2 0 271.361 -0.750 20 0 CBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000843487145 583227395 /nfs/dbraw/zinc/22/73/95/583227395.db2.gz ZXWIZDVYHSJGGU-IJLUTSLNSA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)CCCO1 ZINC000843499229 583230416 /nfs/dbraw/zinc/23/04/16/583230416.db2.gz XLRMZKZUXXMDRI-NWDGAFQWSA-N 2 0 271.361 -0.669 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000843500870 583231213 /nfs/dbraw/zinc/23/12/13/583231213.db2.gz BOWMVJTVSBUZSK-JSGCOSHPSA-N 2 0 282.388 -0.560 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)NCCCC[NH+]1CCOCC1 ZINC000844170571 583256212 /nfs/dbraw/zinc/25/62/12/583256212.db2.gz QJIHZQVVGLPBMK-CQSZACIVSA-N 2 0 299.415 -0.016 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000844181271 583258301 /nfs/dbraw/zinc/25/83/01/583258301.db2.gz WYNYVKGFQBZHGF-FHUSYTEZSA-N 2 0 265.357 -0.569 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844182472 583258434 /nfs/dbraw/zinc/25/84/34/583258434.db2.gz GFYFADISQGTBBR-CHWSQXEVSA-N 2 0 285.388 -0.408 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844181466 583258480 /nfs/dbraw/zinc/25/84/80/583258480.db2.gz RFFJPMUEUBNULD-KBPBESRZSA-N 2 0 299.415 -0.018 20 0 CBADRP CC[NH2+]CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000844187185 583259548 /nfs/dbraw/zinc/25/95/48/583259548.db2.gz GEBRPLQATOWPAA-CYBMUJFWSA-N 2 0 284.404 -0.881 20 0 CBADRP CC[NH2+]CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000844185151 583259655 /nfs/dbraw/zinc/25/96/55/583259655.db2.gz GYLAANSUNGKNAV-LBPRGKRZSA-N 2 0 268.405 -0.119 20 0 CBADRP C[NH+](C)Cc1ccc(NC(=O)CNC(=O)C[NH3+])cc1F ZINC000844190027 583259957 /nfs/dbraw/zinc/25/99/57/583259957.db2.gz WTTXDCNAYAVUQH-UHFFFAOYSA-N 2 0 282.319 -0.099 20 0 CBADRP CC[NH2+]CC(=O)NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000844190909 583260097 /nfs/dbraw/zinc/26/00/97/583260097.db2.gz FNZQTOBMZMXPDH-LBPRGKRZSA-N 2 0 256.394 -0.262 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000844199881 583261064 /nfs/dbraw/zinc/26/10/64/583261064.db2.gz XMAPJXGBUJSWFI-OAHLLOKOSA-N 2 0 280.416 -0.022 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000844199880 583261112 /nfs/dbraw/zinc/26/11/12/583261112.db2.gz XMAPJXGBUJSWFI-HNNXBMFYSA-N 2 0 280.416 -0.022 20 0 CBADRP C[N@H+](CCCCCC[NH3+])CCNS(C)(=O)=O ZINC000846218615 583355499 /nfs/dbraw/zinc/35/54/99/583355499.db2.gz TXHPIERYCWVPBC-UHFFFAOYSA-N 2 0 251.396 -0.014 20 0 CBADRP [NH3+]CCN(CCO)C(=O)NCCC1CC[NH2+]CC1 ZINC000846214213 583355525 /nfs/dbraw/zinc/35/55/25/583355525.db2.gz LAHCYULMKPBBAF-UHFFFAOYSA-N 2 0 258.366 -0.661 20 0 CBADRP COCC[NH2+]C1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000846687561 583384077 /nfs/dbraw/zinc/38/40/77/583384077.db2.gz QEZXEJYJNFAYNV-AWEZNQCLSA-N 2 0 299.415 -0.018 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000846716608 583385606 /nfs/dbraw/zinc/38/56/06/583385606.db2.gz DFCVWIHDOANTRO-NEPJUHHUSA-N 2 0 256.394 -0.134 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCC1 ZINC000848305738 583439672 /nfs/dbraw/zinc/43/96/72/583439672.db2.gz GJPAPOBWSMZBTI-NWDGAFQWSA-N 2 0 267.373 -0.252 20 0 CBADRP C[NH+](C)CCCNC(=S)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848650962 583453690 /nfs/dbraw/zinc/45/36/90/583453690.db2.gz WKPOZJZKHZAGDO-NWDGAFQWSA-N 2 0 286.445 -0.437 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@](C)(CO)OC ZINC000849048489 583471913 /nfs/dbraw/zinc/47/19/13/583471913.db2.gz IBLPEEWBORERPV-AAEUAGOBSA-N 2 0 272.393 -0.018 20 0 CBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)NCC12CC(C1)C[NH2+]2 ZINC000851657088 583518196 /nfs/dbraw/zinc/51/81/96/583518196.db2.gz UVMCONLIPFGPSZ-ICRTXTNUSA-N 2 0 294.399 -0.099 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])[NH+]1CCCCC1 ZINC000851687586 583521627 /nfs/dbraw/zinc/52/16/27/583521627.db2.gz VVEYWWSQEGAHOV-LBPRGKRZSA-N 2 0 284.404 -0.216 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000851689371 583521873 /nfs/dbraw/zinc/52/18/73/583521873.db2.gz NTJRVMNONSAZDV-RYUDHWBXSA-N 2 0 284.404 -0.314 20 0 CBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000851689424 583521907 /nfs/dbraw/zinc/52/19/07/583521907.db2.gz OXYUBMGHTAHWCQ-UWVGGRQHSA-N 2 0 270.377 -0.561 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)C[NH2+]C)C(C)C ZINC000851691243 583522151 /nfs/dbraw/zinc/52/21/51/583522151.db2.gz GBQJCSZJDJRBEF-NSHDSACASA-N 2 0 272.393 -0.443 20 0 CBADRP NC(=O)[C@](O)(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000851731977 583523944 /nfs/dbraw/zinc/52/39/44/583523944.db2.gz FUYCDUVLGOWEDC-HUBLWGQQSA-N 2 0 275.352 -0.489 20 0 CBADRP O=C1N[C@@H]2C[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CC[C@H]2CO1 ZINC000852752657 583551714 /nfs/dbraw/zinc/55/17/14/583551714.db2.gz GPUGYIKXLDAKRQ-QJPTWQEYSA-N 2 0 281.356 -0.062 20 0 CBADRP O=C(CC[N@@H+]1CC[C@@H](N2CCOC2=O)C1)N1CC[NH2+]CC1 ZINC000852755180 583552002 /nfs/dbraw/zinc/55/20/02/583552002.db2.gz GFOUTZWBXBAZMY-GFCCVEGCSA-N 2 0 296.371 -0.665 20 0 CBADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852791747 583552725 /nfs/dbraw/zinc/55/27/25/583552725.db2.gz LQJLIELXIDEJLQ-KOLCDFICSA-N 2 0 292.339 -0.085 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])=NO1 ZINC000852797722 583553277 /nfs/dbraw/zinc/55/32/77/583553277.db2.gz ACDGPZJOQRMDGW-LPEHRKFASA-N 2 0 254.334 -0.276 20 0 CBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852799802 583553314 /nfs/dbraw/zinc/55/33/14/583553314.db2.gz XDCLXXSIFQRIGK-ZJUUUORDSA-N 2 0 256.350 -0.078 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852798965 583553326 /nfs/dbraw/zinc/55/33/26/583553326.db2.gz PNKMXYXTXUOHEW-IVZWLZJFSA-N 2 0 254.334 -0.324 20 0 CBADRP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CC23CCOCC3)C[C@H](C)[NH2+]1 ZINC000852824682 583556392 /nfs/dbraw/zinc/55/63/92/583556392.db2.gz DWVJZXZTNPBJRH-GRYCIOLGSA-N 2 0 267.373 -0.036 20 0 CBADRP CN(C(=O)[C@H]1[NH2+]CC12CCOCC2)[C@H]1CC[NH2+]C1 ZINC000852825931 583556989 /nfs/dbraw/zinc/55/69/89/583556989.db2.gz WYQBIKMGXJRAGL-WDEREUQCSA-N 2 0 253.346 -0.425 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)NC2CC[NH+](C3CC3)CC2)=NO1 ZINC000852857245 583561868 /nfs/dbraw/zinc/56/18/68/583561868.db2.gz NBYPVIUXGNCQPC-LLVKDONJSA-N 2 0 266.345 -0.167 20 0 CBADRP CC1CC[NH+](CCNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852858973 583562078 /nfs/dbraw/zinc/56/20/78/583562078.db2.gz JXTDODQUJVLHCW-NSHDSACASA-N 2 0 268.361 -0.062 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852860132 583562080 /nfs/dbraw/zinc/56/20/80/583562080.db2.gz KXMRKYBHEFZYPE-VHSXEESVSA-N 2 0 254.334 -0.452 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)=NO1 ZINC000852859321 583562153 /nfs/dbraw/zinc/56/21/53/583562153.db2.gz RMCQVMPKXMNIKC-MXWKQRLJSA-N 2 0 266.345 -0.167 20 0 CBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852860627 583562385 /nfs/dbraw/zinc/56/23/85/583562385.db2.gz TUPNWJWOZSSAMT-GHMZBOCLSA-N 2 0 268.361 -0.110 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852860650 583562402 /nfs/dbraw/zinc/56/24/02/583562402.db2.gz TZJJQNMCPFWQAH-SNVBAGLBSA-N 2 0 272.349 -0.826 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852861781 583562881 /nfs/dbraw/zinc/56/28/81/583562881.db2.gz JPDWONYSXHDOIV-NXEZZACHSA-N 2 0 256.350 -0.064 20 0 CBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852864695 583563601 /nfs/dbraw/zinc/56/36/01/583563601.db2.gz FCQABKSCWWKLNR-ZJUUUORDSA-N 2 0 256.350 -0.064 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852864694 583563622 /nfs/dbraw/zinc/56/36/22/583563622.db2.gz FCQABKSCWWKLNR-VHSXEESVSA-N 2 0 256.350 -0.064 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)=NO1 ZINC000852864319 583563671 /nfs/dbraw/zinc/56/36/71/583563671.db2.gz SAGGFTDLMNKIMD-DCAQKATOSA-N 2 0 282.344 -0.931 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)=NO1 ZINC000852864320 583563721 /nfs/dbraw/zinc/56/37/21/583563721.db2.gz SAGGFTDLMNKIMD-GARJFASQSA-N 2 0 282.344 -0.931 20 0 CBADRP CN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000852865415 583563899 /nfs/dbraw/zinc/56/38/99/583563899.db2.gz BVAVKELATLHRIE-GHMZBOCLSA-N 2 0 266.345 -0.215 20 0 CBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852865149 583564172 /nfs/dbraw/zinc/56/41/72/583564172.db2.gz SLMFQYRLPVWQME-QWRGUYRKSA-N 2 0 284.360 -0.683 20 0 CBADRP C[C@@H]1C[C@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)CC[N@@H+]1C ZINC000852868819 583564818 /nfs/dbraw/zinc/56/48/18/583564818.db2.gz VKXHEEYWWGLGEI-OPRDCNLKSA-N 2 0 254.334 -0.311 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH+](C3CCC3)CC2)=NO1 ZINC000852869021 583564918 /nfs/dbraw/zinc/56/49/18/583564918.db2.gz YJLYSHCNEFITRT-NSHDSACASA-N 2 0 266.345 -0.213 20 0 CBADRP C[NH+](C)C1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852873893 583565560 /nfs/dbraw/zinc/56/55/60/583565560.db2.gz HGJVNRUNUNLKKZ-JTQLQIEISA-N 2 0 254.334 -0.357 20 0 CBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852872885 583565621 /nfs/dbraw/zinc/56/56/21/583565621.db2.gz SPCAHNNRFPLOOO-HLUHBDAQSA-N 2 0 266.345 -0.311 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)=NO1 ZINC000852875359 583565765 /nfs/dbraw/zinc/56/57/65/583565765.db2.gz IUAPXNRQQPYDLS-MMWGEVLESA-N 2 0 266.345 -0.324 20 0 CBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852875474 583565904 /nfs/dbraw/zinc/56/59/04/583565904.db2.gz XLGPZJWTTDJFRQ-UWVGGRQHSA-N 2 0 254.334 -0.310 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)=NO1 ZINC000852875937 583566243 /nfs/dbraw/zinc/56/62/43/583566243.db2.gz UCLAXHLHXXJKFK-JOYOIKCWSA-N 2 0 252.318 -0.698 20 0 CBADRP [NH3+]CC[C@@H](NC(=O)C1=NO[C@H](C[NH3+])C1)C(F)F ZINC000852882014 583567080 /nfs/dbraw/zinc/56/70/80/583567080.db2.gz VRWMIJACRLZGFD-NTSWFWBYSA-N 2 0 250.249 -0.811 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)=NO1 ZINC000852882032 583567141 /nfs/dbraw/zinc/56/71/41/583567141.db2.gz WJVNMICUFXAHNC-AXFHLTTASA-N 2 0 266.345 -0.452 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)=NO1 ZINC000852882507 583567479 /nfs/dbraw/zinc/56/74/79/583567479.db2.gz JCNDXRXYWBZZCK-LOWVWBTDSA-N 2 0 296.371 -0.555 20 0 CBADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852885468 583568788 /nfs/dbraw/zinc/56/87/88/583568788.db2.gz VJGIDZQFWWNFLH-JQWIXIFHSA-N 2 0 268.361 -0.111 20 0 CBADRP C[C@@H]1C[C@H](C)N(C(=O)C2=NO[C@@H](C[NH3+])C2)C[C@@H]1C[NH3+] ZINC000852892580 583570398 /nfs/dbraw/zinc/57/03/98/583570398.db2.gz IDCPNABABOAERO-VPOLOUISSA-N 2 0 268.361 -0.078 20 0 CBADRP C[C@@H]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)[C@H](C[NH3+])C1 ZINC000852912515 583573811 /nfs/dbraw/zinc/57/38/11/583573811.db2.gz SFAUPXQBNHCWEJ-UTLUCORTSA-N 2 0 254.334 -0.324 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)NCC12CC(C1)C[NH2+]2 ZINC000852916712 583574682 /nfs/dbraw/zinc/57/46/82/583574682.db2.gz DDMYMJIXAFRXHA-QWKFWESOSA-N 2 0 253.346 -0.377 20 0 CBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2SCCS2)CC1 ZINC000853120161 583578382 /nfs/dbraw/zinc/57/83/82/583578382.db2.gz UDIJWTYGFLAQEK-LLVKDONJSA-N 2 0 291.486 -0.010 20 0 CBADRP C[C@H]([NH3+])CCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000857102651 583664375 /nfs/dbraw/zinc/66/43/75/583664375.db2.gz ITNAMNFNJNQMGO-SRVKXCTJSA-N 2 0 270.377 -0.114 20 0 CBADRP CCO[C@@H]1CN(C(=O)NCC[C@H](C)[NH3+])C[C@H]1C[NH3+] ZINC000857107421 583665012 /nfs/dbraw/zinc/66/50/12/583665012.db2.gz VGASHVPZWNEGMB-HBNTYKKESA-N 2 0 258.366 -0.271 20 0 CBADRP Nc1nc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nc(N)[nH+]1 ZINC000858374635 583693410 /nfs/dbraw/zinc/69/34/10/583693410.db2.gz RFFWTAAPDJWTTI-HTQZYQBOSA-N 2 0 265.321 -0.689 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000861574835 583771367 /nfs/dbraw/zinc/77/13/67/583771367.db2.gz ZAXZNNXLVFMLGE-WUHRBBMRSA-N 2 0 282.388 -0.101 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000861574847 583771373 /nfs/dbraw/zinc/77/13/73/583771373.db2.gz ZBTZDCKSLPNYPC-FRRDWIJNSA-N 2 0 298.387 -0.863 20 0 CBADRP C[C@H](CNC(=O)N(C)C[C@H](C)[NH3+])C[NH+]1CCN(C)CC1 ZINC000861592580 583771970 /nfs/dbraw/zinc/77/19/70/583771970.db2.gz NRUBCQVILHDEJF-OLZOCXBDSA-N 2 0 285.436 -0.142 20 0 CBADRP [NH3+]CCCCCCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000861648239 583775573 /nfs/dbraw/zinc/77/55/73/583775573.db2.gz OQRZSEBVIIECNY-NSHDSACASA-N 2 0 258.366 -0.207 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[NH+]1CCCCC1 ZINC000861729629 583781646 /nfs/dbraw/zinc/78/16/46/583781646.db2.gz XDAACCHFZZNPPX-RWMBFGLXSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000861728993 583781680 /nfs/dbraw/zinc/78/16/80/583781680.db2.gz NLPQRWXBUVOHHP-RYUDHWBXSA-N 2 0 284.404 -0.217 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861732476 583782130 /nfs/dbraw/zinc/78/21/30/583782130.db2.gz ZYYQJCRKKUBFDY-GHMZBOCLSA-N 2 0 272.393 -0.362 20 0 CBADRP CC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000861732135 583782137 /nfs/dbraw/zinc/78/21/37/583782137.db2.gz HUKBKDVBGVFBOT-JTQLQIEISA-N 2 0 270.377 -0.608 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000861742854 583783008 /nfs/dbraw/zinc/78/30/08/583783008.db2.gz MFOAVTRZAADVPD-ZJUUUORDSA-N 2 0 268.361 -0.855 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000861744138 583783310 /nfs/dbraw/zinc/78/33/10/583783310.db2.gz HIWLGXJEDFOLBR-UMSGYPCISA-N 2 0 296.415 -0.158 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000861756644 583784496 /nfs/dbraw/zinc/78/44/96/583784496.db2.gz FMEQHWTYRSFWHZ-NWDGAFQWSA-N 2 0 284.404 -0.360 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc(N(C)C)nc1 ZINC000861756153 583784554 /nfs/dbraw/zinc/78/45/54/583784554.db2.gz UCUHEHMBYQNPGC-JTQLQIEISA-N 2 0 293.371 -0.431 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000861761183 583785098 /nfs/dbraw/zinc/78/50/98/583785098.db2.gz YLLOBXQMYINRER-MNOVXSKESA-N 2 0 286.420 -0.116 20 0 CBADRP CC[NH+]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CC1 ZINC000861911039 583791441 /nfs/dbraw/zinc/79/14/41/583791441.db2.gz IEXSJEOQZTVGFX-NHAGDIPZSA-N 2 0 280.416 -0.358 20 0 CBADRP C[NH+]1CCC(NC(=S)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000863235601 583835159 /nfs/dbraw/zinc/83/51/59/583835159.db2.gz AUVLZQFSHKZPFO-GFCCVEGCSA-N 2 0 286.445 -0.389 20 0 CBADRP COC(=O)C1=CC[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000863573061 583847369 /nfs/dbraw/zinc/84/73/69/583847369.db2.gz SQFQVVPIDLXVIT-UONOGXRCSA-N 2 0 297.399 -0.554 20 0 CBADRP COC(=O)C1=CC[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000863573059 583847394 /nfs/dbraw/zinc/84/73/94/583847394.db2.gz SQFQVVPIDLXVIT-KGLIPLIRSA-N 2 0 297.399 -0.554 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000863750784 583852345 /nfs/dbraw/zinc/85/23/45/583852345.db2.gz XTLOQGFTWFTZOV-LBPRGKRZSA-N 2 0 298.431 -0.018 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000863751666 583852581 /nfs/dbraw/zinc/85/25/81/583852581.db2.gz NCYDJHXZRMAAEM-WDEREUQCSA-N 2 0 270.377 -0.655 20 0 CBADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863753834 583852825 /nfs/dbraw/zinc/85/28/25/583852825.db2.gz JJVVJFRMWPLXRK-NWDGAFQWSA-N 2 0 298.431 -0.019 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000863755192 583853245 /nfs/dbraw/zinc/85/32/45/583853245.db2.gz LDSAXOCTGMIRST-JQWIXIFHSA-N 2 0 282.388 -0.513 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000863763316 583854488 /nfs/dbraw/zinc/85/44/88/583854488.db2.gz YJCDGFCFAIMZNW-XQQFMLRXSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000863763315 583854604 /nfs/dbraw/zinc/85/46/04/583854604.db2.gz YJCDGFCFAIMZNW-RWMBFGLXSA-N 2 0 296.415 -0.265 20 0 CBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000863764698 583854675 /nfs/dbraw/zinc/85/46/75/583854675.db2.gz VUSJHBPYJIXXIH-CHWSQXEVSA-N 2 0 298.431 -0.018 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000863769049 583855473 /nfs/dbraw/zinc/85/54/73/583855473.db2.gz BGFDTAKIPZLYMI-RYUDHWBXSA-N 2 0 284.404 -0.219 20 0 CBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000863769079 583855550 /nfs/dbraw/zinc/85/55/50/583855550.db2.gz JBVMOYFVDVWIQH-NEPJUHHUSA-N 2 0 284.404 -0.267 20 0 CBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000863774101 583855988 /nfs/dbraw/zinc/85/59/88/583855988.db2.gz PLUFLMGEBXFUFJ-RISCZKNCSA-N 2 0 282.388 -0.654 20 0 CBADRP [NH2+]=C(NCCC1CC1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000864460938 583882711 /nfs/dbraw/zinc/88/27/11/583882711.db2.gz JGHLDFSSYMNGHG-GFCCVEGCSA-N 2 0 251.378 -0.100 20 0 CBADRP [NH2+]=C(NCCC1CC1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000864460939 583882723 /nfs/dbraw/zinc/88/27/23/583882723.db2.gz JGHLDFSSYMNGHG-LBPRGKRZSA-N 2 0 251.378 -0.100 20 0 CBADRP COCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708055 583927785 /nfs/dbraw/zinc/92/77/85/583927785.db2.gz MORWCCWIMYIQJW-MXWKQRLJSA-N 2 0 255.318 -0.500 20 0 CBADRP CCOC(=O)CC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711097 583928072 /nfs/dbraw/zinc/92/80/72/583928072.db2.gz BVRYIUKWCVHLKP-UTUOFQBUSA-N 2 0 297.355 -0.194 20 0 CBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000866709151 583928154 /nfs/dbraw/zinc/92/81/54/583928154.db2.gz QNOATRIRAPONGB-XDQVBPFNSA-N 2 0 294.399 -0.147 20 0 CBADRP O=C1NCCO[C@@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)[C@H]12 ZINC000866717908 583928608 /nfs/dbraw/zinc/92/86/08/583928608.db2.gz TZTTZYAGNZOKRU-UPJWGTAASA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N1CCC[C@H](C[NH3+])C1 ZINC000866737419 583929684 /nfs/dbraw/zinc/92/96/84/583929684.db2.gz DSQHDHBDENRIBG-LLVKDONJSA-N 2 0 263.407 -0.061 20 0 CBADRP CN(C1CCC([NH3+])CC1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000866742760 583930241 /nfs/dbraw/zinc/93/02/41/583930241.db2.gz SLWHJADPYXJBFC-HTAVTVPLSA-N 2 0 291.417 -0.494 20 0 CBADRP [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000866765694 583931533 /nfs/dbraw/zinc/93/15/33/583931533.db2.gz YZCIEFQTXSXBMQ-RYUDHWBXSA-N 2 0 291.417 -0.492 20 0 CBADRP CC1(C)CC[NH2+]CCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000866803666 583933319 /nfs/dbraw/zinc/93/33/19/583933319.db2.gz XTWGWFTXCRCMHO-LLVKDONJSA-N 2 0 291.417 -0.622 20 0 CBADRP CC1(C)CC[NH2+]CCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000866803667 583933336 /nfs/dbraw/zinc/93/33/36/583933336.db2.gz XTWGWFTXCRCMHO-NSHDSACASA-N 2 0 291.417 -0.622 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC[NH2+]1 ZINC000868389204 583976917 /nfs/dbraw/zinc/97/69/17/583976917.db2.gz NZZQZHDQEQXGFM-FRRDWIJNSA-N 2 0 294.399 -0.641 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)C1 ZINC000868405121 583977746 /nfs/dbraw/zinc/97/77/46/583977746.db2.gz HPNSSTMHGQVKQA-GFCCVEGCSA-N 2 0 296.415 -0.251 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868410126 583978206 /nfs/dbraw/zinc/97/82/06/583978206.db2.gz JILNXAFKBUGKOQ-VXGBXAGGSA-N 2 0 282.388 -0.654 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868410122 583978328 /nfs/dbraw/zinc/97/83/28/583978328.db2.gz JILNXAFKBUGKOQ-NWDGAFQWSA-N 2 0 282.388 -0.654 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868422286 583979128 /nfs/dbraw/zinc/97/91/28/583979128.db2.gz RMOKEPZSPNUNPT-CHWSQXEVSA-N 2 0 296.415 -0.251 20 0 CBADRP C[NH+](C)CCONC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000868628790 583982984 /nfs/dbraw/zinc/98/29/84/583982984.db2.gz GEMFBOGMFGIWON-UHFFFAOYSA-N 2 0 269.349 -0.332 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@]2(O)CCOC2)C[C@H]1C[NH+](C)C ZINC000870018375 584007287 /nfs/dbraw/zinc/00/72/87/584007287.db2.gz ZGZIZQRTFHVIMG-NFAWXSAZSA-N 2 0 299.415 -0.664 20 0 CBADRP CC(=O)N(C)CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870024297 584007314 /nfs/dbraw/zinc/00/73/14/584007314.db2.gz XWOWBGIYFDHYRI-ZIAGYGMSSA-N 2 0 298.431 -0.338 20 0 CBADRP CNC(=O)NCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022496 584007389 /nfs/dbraw/zinc/00/73/89/584007389.db2.gz UBORDCUNROMZTP-VXGBXAGGSA-N 2 0 299.419 -0.887 20 0 CBADRP [NH3+][C@H]1C[C@@H](CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000870965253 584023527 /nfs/dbraw/zinc/02/35/27/584023527.db2.gz NKFJVAOWIHFESZ-BBBLOLIVSA-N 2 0 263.345 -0.046 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000870972008 584023628 /nfs/dbraw/zinc/02/36/28/584023628.db2.gz NKFJVAOWIHFESZ-OPRDCNLKSA-N 2 0 263.345 -0.046 20 0 CBADRP COCC[NH2+]CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870980907 584024008 /nfs/dbraw/zinc/02/40/08/584024008.db2.gz DSHGDHRCOLVZLF-RYUDHWBXSA-N 2 0 255.362 -0.225 20 0 CBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870983871 584024474 /nfs/dbraw/zinc/02/44/74/584024474.db2.gz YWMUKAXCIQTAEZ-VWYCJHECSA-N 2 0 269.345 -0.571 20 0 CBADRP COCCN(C)C(=[NH2+])NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000871604110 584043349 /nfs/dbraw/zinc/04/33/49/584043349.db2.gz TYLURUQGOMXNEC-CYBMUJFWSA-N 2 0 285.436 -0.028 20 0 CBADRP COCCN(C)C(=[NH2+])NCCC[NH+]1CCC(O)CC1 ZINC000871603371 584043380 /nfs/dbraw/zinc/04/33/80/584043380.db2.gz QBRLQYRNNPQXSF-UHFFFAOYSA-N 2 0 272.393 -0.064 20 0 CBADRP [NH3+]CCN(CCO)C[C@@H]1CC2(CO1)CCOCC2 ZINC000872143299 584047856 /nfs/dbraw/zinc/04/78/56/584047856.db2.gz KUWBDULZGHMUEL-LBPRGKRZSA-N 2 0 258.362 -0.175 20 0 CBADRP COC(=O)C1CC([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000872228116 584051449 /nfs/dbraw/zinc/05/14/49/584051449.db2.gz XMQUISQUOIZHBC-BPCQOVAHSA-N 2 0 285.388 -0.864 20 0 CBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC000872242420 584052000 /nfs/dbraw/zinc/05/20/00/584052000.db2.gz DFUVSYIMBLFKNH-UONOGXRCSA-N 2 0 285.432 -0.001 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872257885 584052292 /nfs/dbraw/zinc/05/22/92/584052292.db2.gz KTIMDBYOZHZDHX-DYEKYZERSA-N 2 0 266.389 -0.523 20 0 CBADRP CC(C)([NH3+])CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872255771 584052359 /nfs/dbraw/zinc/05/23/59/584052359.db2.gz MUDUZZPKGBHNGV-AXFHLTTASA-N 3 0 268.361 -0.409 20 0 CBADRP CN1CCN(CC(=O)NC2CC[NH+](C)CC2)CCC1=O ZINC000872252085 584052427 /nfs/dbraw/zinc/05/24/27/584052427.db2.gz OUAKFZUYTJSFJZ-UHFFFAOYSA-N 2 0 282.388 -0.639 20 0 CBADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000872276717 584053004 /nfs/dbraw/zinc/05/30/04/584053004.db2.gz QREOKTJQOGDWCX-NXEZZACHSA-N 2 0 268.361 -0.016 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872277359 584053069 /nfs/dbraw/zinc/05/30/69/584053069.db2.gz YQNOATULJUANKM-QWRGUYRKSA-N 2 0 256.394 -0.230 20 0 CBADRP CC1(C)CC[NH2+]CCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000872290346 584054577 /nfs/dbraw/zinc/05/45/77/584054577.db2.gz MNXNWZWUSRGEKB-LLVKDONJSA-N 2 0 255.362 -0.035 20 0 CBADRP Cn1cnn(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1=O ZINC000872636603 584060551 /nfs/dbraw/zinc/06/05/51/584060551.db2.gz QOPRIXAIXJSVIT-CHWSQXEVSA-N 2 0 296.419 -0.790 20 0 CBADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@]2(COC)C[NH2+]CCO2)C1 ZINC000876503249 584129785 /nfs/dbraw/zinc/12/97/85/584129785.db2.gz DRGXEZAIMFTFOE-TZMCWYRMSA-N 2 0 285.388 -0.551 20 0 CBADRP COC[C@]1(C(=O)N2CCC(C[NH3+])CC2)C[NH2+]CCO1 ZINC000876507906 584130140 /nfs/dbraw/zinc/13/01/40/584130140.db2.gz GCEYVFJBQUWSDS-ZDUSSCGKSA-N 2 0 271.361 -0.811 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000876510867 584130283 /nfs/dbraw/zinc/13/02/83/584130283.db2.gz QZOJJTWQEDGBQG-GHMZBOCLSA-N 2 0 254.378 -0.619 20 0 CBADRP COC[C@]1(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)C[NH2+]CCO1 ZINC000876516076 584130663 /nfs/dbraw/zinc/13/06/63/584130663.db2.gz KCKBTNQWMDGAGI-OBJOEFQTSA-N 2 0 285.388 -0.504 20 0 CBADRP COC[C@@]1(C(=O)N2CCC([C@@H](C)[NH3+])CC2)C[NH2+]CCO1 ZINC000876522892 584131015 /nfs/dbraw/zinc/13/10/15/584131015.db2.gz FXESSCZRHXKSST-BXUZGUMPSA-N 2 0 285.388 -0.423 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000876526577 584131245 /nfs/dbraw/zinc/13/12/45/584131245.db2.gz XMYXULYEUQBDSR-LSMGEYOZSA-N 2 0 280.416 -0.238 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000876526569 584131296 /nfs/dbraw/zinc/13/12/96/584131296.db2.gz XMYXULYEUQBDSR-JHZNUDOXSA-N 2 0 280.416 -0.238 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@]2(COC)C[NH2+]CCO2)CC1 ZINC000876528364 584131522 /nfs/dbraw/zinc/13/15/22/584131522.db2.gz VRTZXSZZXMMSHE-CQSZACIVSA-N 2 0 285.388 -0.551 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000876538071 584132162 /nfs/dbraw/zinc/13/21/62/584132162.db2.gz KQKISBOQJKLTMA-ZDUSSCGKSA-N 2 0 268.405 -0.134 20 0 CBADRP CC[NH2+]CC1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876541026 584132497 /nfs/dbraw/zinc/13/24/97/584132497.db2.gz QZSUOGQXOZCYEB-LBPRGKRZSA-N 2 0 256.394 -0.277 20 0 CBADRP COC[C@]1(C(=O)N(C)CC(C)(C)C[NH3+])C[NH2+]CCO1 ZINC000876540267 584132533 /nfs/dbraw/zinc/13/25/33/584132533.db2.gz HESIDRALLLIBTH-ZDUSSCGKSA-N 2 0 273.377 -0.565 20 0 CBADRP CN1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000876542756 584132792 /nfs/dbraw/zinc/13/27/92/584132792.db2.gz SREWDNNTXYHRNT-WWKJKZQJSA-N 2 0 266.389 -0.357 20 0 CBADRP CN1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000876542755 584132839 /nfs/dbraw/zinc/13/28/39/584132839.db2.gz SREWDNNTXYHRNT-QITAHTHBSA-N 2 0 266.389 -0.357 20 0 CBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@]2(COC)C[NH2+]CCO2)C1 ZINC000876717759 584140619 /nfs/dbraw/zinc/14/06/19/584140619.db2.gz HBBKDNMMRCVEDX-UKRRQHHQSA-N 2 0 299.415 -0.066 20 0 CBADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@]2(COC)C[NH2+]CCO2)C1 ZINC000876717760 584140673 /nfs/dbraw/zinc/14/06/73/584140673.db2.gz HBBKDNMMRCVEDX-ZFWWWQNUSA-N 2 0 299.415 -0.066 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876728510 584141434 /nfs/dbraw/zinc/14/14/34/584141434.db2.gz OKVXJOVATBXJHN-UWVGGRQHSA-N 2 0 279.331 -0.089 20 0 CBADRP COC[C@@]1(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C[NH2+]CCO1 ZINC000876728466 584141445 /nfs/dbraw/zinc/14/14/45/584141445.db2.gz MXIBHFBAAFSYRV-DZGCQCFKSA-N 2 0 299.415 -0.208 20 0 CBADRP COC[C@@]1(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[NH2+]CCO1 ZINC000876750748 584142472 /nfs/dbraw/zinc/14/24/72/584142472.db2.gz SBRIRURVTBAIOV-DZGCQCFKSA-N 2 0 297.399 -0.312 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000876753967 584142500 /nfs/dbraw/zinc/14/25/00/584142500.db2.gz LESJVCNOCZGXBH-RYUDHWBXSA-N 2 0 254.378 -0.524 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[NH2+]CCO1 ZINC000876750749 584142514 /nfs/dbraw/zinc/14/25/14/584142514.db2.gz SBRIRURVTBAIOV-HIFRSBDPSA-N 2 0 297.399 -0.312 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000876756116 584142798 /nfs/dbraw/zinc/14/27/98/584142798.db2.gz ZVSTWQHFVBZCCT-ZDUSSCGKSA-N 2 0 298.431 -0.364 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)C1 ZINC000876754151 584142903 /nfs/dbraw/zinc/14/29/03/584142903.db2.gz CBDRGYSGLBQMBL-SRVKXCTJSA-N 2 0 273.352 -0.229 20 0 CBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876775458 584143833 /nfs/dbraw/zinc/14/38/33/584143833.db2.gz WFZOVBHYPTVZKM-NEPJUHHUSA-N 2 0 256.394 -0.325 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876777342 584143988 /nfs/dbraw/zinc/14/39/88/584143988.db2.gz VRJZQHOCKQTNAY-RYUDHWBXSA-N 2 0 274.409 -0.652 20 0 CBADRP C[NH+]1CCN(CCNC(=O)/C=C/[C@H]2CCC[NH2+]C2)CC1 ZINC000876780266 584144226 /nfs/dbraw/zinc/14/42/26/584144226.db2.gz DKSOTECTHVLTQC-ISZGNANSSA-N 2 0 280.416 -0.094 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000876782289 584144334 /nfs/dbraw/zinc/14/43/34/584144334.db2.gz VOGJLQUESYMQLW-JHZNUDOXSA-N 2 0 280.416 -0.238 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876784084 584144477 /nfs/dbraw/zinc/14/44/77/584144477.db2.gz WKRISQISEIZFQB-HLMASZERSA-N 2 0 280.416 -0.096 20 0 CBADRP COC[C@@]1(C(=O)N2CCC3(C2)CC[NH2+]CC3)C[NH2+]CCO1 ZINC000876793904 584145163 /nfs/dbraw/zinc/14/51/63/584145163.db2.gz YIEPGYVRKDVAEW-OAHLLOKOSA-N 2 0 297.399 -0.407 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000876794526 584145226 /nfs/dbraw/zinc/14/52/26/584145226.db2.gz XBWYRXQSUJJCNB-JQWIXIFHSA-N 2 0 277.372 -0.275 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000876808201 584147157 /nfs/dbraw/zinc/14/71/57/584147157.db2.gz OXBMRBLLPACWCZ-GKBWCTFZSA-N 2 0 253.346 -0.416 20 0 CBADRP [NH3+]C[C@@H]1CN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)CCO1 ZINC000876809246 584147246 /nfs/dbraw/zinc/14/72/46/584147246.db2.gz YDFXDJOOAVBBHK-WZRBSPASSA-N 2 0 253.346 -0.295 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C[NH2+]CCO1 ZINC000876828677 584147817 /nfs/dbraw/zinc/14/78/17/584147817.db2.gz DWMPGIYEMADMAL-MDZLAQPJSA-N 2 0 271.361 -0.623 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000876852250 584149677 /nfs/dbraw/zinc/14/96/77/584149677.db2.gz BKAXNPMEUIHIBL-RWMBFGLXSA-N 2 0 280.416 -0.134 20 0 CBADRP COC[C@@]1(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C[NH2+]CCO1 ZINC000876869728 584151402 /nfs/dbraw/zinc/15/14/02/584151402.db2.gz CDXNJNMPDAXADY-PSASIEDQSA-N 2 0 299.293 -0.613 20 0 CBADRP Cn1ncc(C[NH3+])c1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000876873255 584151828 /nfs/dbraw/zinc/15/18/28/584151828.db2.gz ZQWAORCCWPIQDF-UHFFFAOYSA-N 2 0 251.334 -0.297 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000876917680 584155446 /nfs/dbraw/zinc/15/54/46/584155446.db2.gz AYHSPZSHBYWEDI-MELADBBJSA-N 2 0 298.431 -0.380 20 0 CBADRP COC[C@]1(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000876919831 584155706 /nfs/dbraw/zinc/15/57/06/584155706.db2.gz ZSCTXOMENYWTKH-OBJOEFQTSA-N 2 0 285.388 -0.565 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000876926957 584156221 /nfs/dbraw/zinc/15/62/21/584156221.db2.gz MHIIATQRTDIFTH-VHSXEESVSA-N 2 0 255.362 -0.328 20 0 CBADRP COC[C@@]1(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)C[NH2+]CCO1 ZINC000876934669 584156386 /nfs/dbraw/zinc/15/63/86/584156386.db2.gz IDJPELQPWUDOIA-IUODEOHRSA-N 2 0 297.399 -0.218 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000876940483 584156967 /nfs/dbraw/zinc/15/69/67/584156967.db2.gz VXWJKEAPXUTJAP-QWRGUYRKSA-N 2 0 254.378 -0.334 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000876946150 584157323 /nfs/dbraw/zinc/15/73/23/584157323.db2.gz HLBUOVBFBRUNQA-GVXVVHGQSA-N 2 0 254.378 -0.537 20 0 CBADRP COC[C@@]1(C(=O)NCCC2CC[NH2+]CC2)C[NH2+]CCO1 ZINC000876951289 584157787 /nfs/dbraw/zinc/15/77/87/584157787.db2.gz JFDNREYZQZLXOV-CQSZACIVSA-N 2 0 285.388 -0.503 20 0 CBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1(F)F ZINC000876979242 584159383 /nfs/dbraw/zinc/15/93/83/584159383.db2.gz YIQNZSXLVWHWQR-WCTZXXKLSA-N 2 0 251.252 -0.276 20 0 CBADRP C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)CCO1 ZINC000876980514 584159720 /nfs/dbraw/zinc/15/97/20/584159720.db2.gz GGQLLLPCPCTLPA-STQMWFEESA-N 2 0 286.420 -0.556 20 0 CBADRP COC[C@]1(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C[NH2+]CCO1 ZINC000876985018 584159900 /nfs/dbraw/zinc/15/99/00/584159900.db2.gz MRSWPDVEARPCET-XBFCOCLRSA-N 2 0 283.372 -0.669 20 0 CBADRP COC[C@]1(C(=O)N[C@H]2CC[NH2+]C23CCC3)C[NH2+]CCO1 ZINC000877005253 584161410 /nfs/dbraw/zinc/16/14/10/584161410.db2.gz PYVRTADSLRVWCU-FZMZJTMJSA-N 2 0 283.372 -0.608 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)=NO1 ZINC000877009931 584161659 /nfs/dbraw/zinc/16/16/59/584161659.db2.gz FTLQMAQVWFURLQ-MBNYWOFBSA-N 2 0 288.351 -0.038 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000877011560 584161667 /nfs/dbraw/zinc/16/16/67/584161667.db2.gz FYGYISBNJBGJEZ-QWHCGFSZSA-N 2 0 268.405 -0.119 20 0 CBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCC1([NH3+])CCOCC1 ZINC000877014643 584161744 /nfs/dbraw/zinc/16/17/44/584161744.db2.gz KQIOWZDALWQGOC-NXEZZACHSA-N 2 0 255.362 -0.016 20 0 CBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)=NO1 ZINC000877009932 584161764 /nfs/dbraw/zinc/16/17/64/584161764.db2.gz FTLQMAQVWFURLQ-SGMGOOAPSA-N 2 0 288.351 -0.038 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCOCC[NH2+]C ZINC000877024114 584161964 /nfs/dbraw/zinc/16/19/64/584161964.db2.gz QRGNLTFNLNZAIF-BLDJZWNYSA-N 2 0 255.362 -0.250 20 0 CBADRP C[C@H](C[NH2+][C@@H]1CCCNC(=O)C1)N1CC[NH+](C)CC1 ZINC000877022800 584162038 /nfs/dbraw/zinc/16/20/38/584162038.db2.gz SWXXCCBZNRENDF-CHWSQXEVSA-N 2 0 268.405 -0.119 20 0 CBADRP [NH3+]CCCOCCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000877048944 584164025 /nfs/dbraw/zinc/16/40/25/584164025.db2.gz PVBIWLSKCJIXGC-LLVKDONJSA-N 2 0 259.350 -0.763 20 0 CBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCOCCC[NH3+] ZINC000877053442 584164305 /nfs/dbraw/zinc/16/43/05/584164305.db2.gz NJFNHDNXUSPYOE-VNPHXJNISA-N 2 0 255.362 -0.120 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCOCCC[NH3+] ZINC000877053441 584164307 /nfs/dbraw/zinc/16/43/07/584164307.db2.gz NJFNHDNXUSPYOE-DNDCWNJCSA-N 2 0 255.362 -0.120 20 0 CBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CCOCC[NH3+] ZINC000877056061 584164485 /nfs/dbraw/zinc/16/44/85/584164485.db2.gz YJEDTNXMGORRBJ-OPVGQWETSA-N 2 0 255.362 -0.168 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000877121045 584167400 /nfs/dbraw/zinc/16/74/00/584167400.db2.gz OPNSBDNMIKXTBS-NSHDSACASA-N 2 0 278.356 -0.240 20 0 CBADRP COC[C@]1(C(=O)N2CCCCC[C@@H]([NH3+])C2)C[NH2+]CCO1 ZINC000877124804 584167411 /nfs/dbraw/zinc/16/74/11/584167411.db2.gz DTZGWSIQTSOBML-OCCSQVGLSA-N 2 0 285.388 -0.279 20 0 CBADRP [NH3+]C[C@H]1CC(C(=O)N2CCCCC[C@H]([NH3+])C2)=NO1 ZINC000877126197 584167462 /nfs/dbraw/zinc/16/74/62/584167462.db2.gz ZCGGRHSCQOIDBQ-VHSXEESVSA-N 2 0 254.334 -0.180 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000877141655 584167759 /nfs/dbraw/zinc/16/77/59/584167759.db2.gz BYVQLJCPBWSAKQ-AWEZNQCLSA-N 2 0 276.384 -0.163 20 0 CBADRP CN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000877146630 584168037 /nfs/dbraw/zinc/16/80/37/584168037.db2.gz WTVKLEFJZDDMPL-CMPLNLGQSA-N 2 0 266.345 -0.357 20 0 CBADRP CC1(C)CC[C@H](CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])[NH2+]C1 ZINC000877151215 584168269 /nfs/dbraw/zinc/16/82/69/584168269.db2.gz IEAPWPVVAWDCMC-OUAUKWLOSA-N 2 0 255.362 -0.003 20 0 CBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877168373 584168893 /nfs/dbraw/zinc/16/88/93/584168893.db2.gz LIMDGMMMCZNGGP-GRYCIOLGSA-N 2 0 253.346 -0.282 20 0 CBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877184749 584169711 /nfs/dbraw/zinc/16/97/11/584169711.db2.gz RDVHBGZECXQXBP-ZRZGDYATSA-N 2 0 253.346 -0.168 20 0 CBADRP CC(C)[NH+]1CCC(CCNC(=O)CNC(=O)C[NH3+])CC1 ZINC000877200843 584170193 /nfs/dbraw/zinc/17/01/93/584170193.db2.gz QYDZTHMUIWYMAC-UHFFFAOYSA-N 2 0 284.404 -0.312 20 0 CBADRP COc1ccc([C@@H]2CN(C(=O)COCC[NH3+])C[C@H]2[NH3+])cc1 ZINC000877235698 584171767 /nfs/dbraw/zinc/17/17/67/584171767.db2.gz LKXOHJQGFSUDPR-UONOGXRCSA-N 2 0 293.367 -0.076 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(C)C[NH2+]CCO3)CC[C@H]21 ZINC000877248520 584172299 /nfs/dbraw/zinc/17/22/99/584172299.db2.gz AVTJHJZVNNVOAA-BZPMIXESSA-N 2 0 267.373 -0.083 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877250960 584172631 /nfs/dbraw/zinc/17/26/31/584172631.db2.gz UZRGNTNTUSPQKW-SRVKXCTJSA-N 2 0 254.378 -0.572 20 0 CBADRP CC(C)[C@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)CC[N@@H+]1C ZINC000877251881 584173189 /nfs/dbraw/zinc/17/31/89/584173189.db2.gz WIVLIKMUNORJGD-NWDGAFQWSA-N 2 0 256.394 -0.326 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000877255554 584173318 /nfs/dbraw/zinc/17/33/18/584173318.db2.gz XQAJIMFFAYAPPM-GWCFXTLKSA-N 2 0 284.404 -0.410 20 0 CBADRP C[C@@H](NC(=O)[C@H]1CCO[C@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000877254474 584173382 /nfs/dbraw/zinc/17/33/82/584173382.db2.gz UZMBPTUDWZNYEH-USWWRNFRSA-N 2 0 255.362 -0.146 20 0 CBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877280270 584175679 /nfs/dbraw/zinc/17/56/79/584175679.db2.gz CBOPJHNEYBGRHG-GRYCIOLGSA-N 2 0 253.346 -0.282 20 0 CBADRP C[C@]1(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[NH2+]CCO1 ZINC000877326903 584178396 /nfs/dbraw/zinc/17/83/96/584178396.db2.gz ISWRXTISVPHYSR-GXTWGEPZSA-N 2 0 297.399 -0.360 20 0 CBADRP C[NH2+]CCC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877332354 584178877 /nfs/dbraw/zinc/17/88/77/584178877.db2.gz ZABXACCICXRDES-NSHDSACASA-N 2 0 255.362 -0.129 20 0 CBADRP CC[C@H]([NH3+])C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877339160 584179083 /nfs/dbraw/zinc/17/90/83/584179083.db2.gz TVTAXFRTNDAFFN-QWRGUYRKSA-N 2 0 255.362 -0.001 20 0 CBADRP CC(C)([NH3+])C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877338762 584179127 /nfs/dbraw/zinc/17/91/27/584179127.db2.gz MIGUCEWTEPHROS-JTQLQIEISA-N 2 0 255.362 -0.001 20 0 CBADRP COCC[NH2+]CC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877337154 584179165 /nfs/dbraw/zinc/17/91/65/584179165.db2.gz OQYRNXSBHNHVBY-GFCCVEGCSA-N 2 0 285.388 -0.503 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C[C@H]1COCC[NH2+]1)C2 ZINC000877373693 584179927 /nfs/dbraw/zinc/17/99/27/584179927.db2.gz FIEICLRGHFTSBF-GMXVVIOVSA-N 2 0 253.346 -0.567 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)COC1CC[NH2+]CC1)C2 ZINC000877373070 584179961 /nfs/dbraw/zinc/17/99/61/584179961.db2.gz NSMNRRFFGVYBIQ-SMDDNHRTSA-N 2 0 267.373 -0.177 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877391069 584180508 /nfs/dbraw/zinc/18/05/08/584180508.db2.gz MJIRICIOTQVQOP-OSMZGAPFSA-N 2 0 282.388 -0.513 20 0 CBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877390096 584180589 /nfs/dbraw/zinc/18/05/89/584180589.db2.gz HUROBEAVRCJPCB-OPQQBVKSSA-N 2 0 269.345 -0.332 20 0 CBADRP COC[C@@H](O)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877505734 584183006 /nfs/dbraw/zinc/18/30/06/584183006.db2.gz XNUDUCVIVRSBNJ-LBPRGKRZSA-N 2 0 260.378 -0.181 20 0 CBADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000877935256 584188224 /nfs/dbraw/zinc/18/82/24/584188224.db2.gz MHTWRDMIVYHKBG-GFCCVEGCSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@@H]1O ZINC000878321675 584199661 /nfs/dbraw/zinc/19/96/61/584199661.db2.gz SGPJAOUYEHPCMO-AAEUAGOBSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)[C@@H]1CO ZINC000878485176 584205405 /nfs/dbraw/zinc/20/54/05/584205405.db2.gz IZXFHYORZZHHMZ-WCQYABFASA-N 2 0 269.389 -0.101 20 0 CBADRP CN(C)C(=O)[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878708990 584215106 /nfs/dbraw/zinc/21/51/06/584215106.db2.gz CMMPLSZBQNKQAI-LBPRGKRZSA-N 2 0 296.415 -0.393 20 0 CBADRP C[NH+](C)C[C@]1(O)CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000878867713 584219580 /nfs/dbraw/zinc/21/95/80/584219580.db2.gz LYLDGZXKYPKLAM-HUUCEWRRSA-N 2 0 285.432 -0.168 20 0 CBADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCC(=O)NC(N)=O)CC[C@H]21 ZINC000879574006 584241297 /nfs/dbraw/zinc/24/12/97/584241297.db2.gz VQGTUMWRXQQLHL-GHMZBOCLSA-N 2 0 268.361 -0.013 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580326 584241711 /nfs/dbraw/zinc/24/17/11/584241711.db2.gz SNQXOZQYBLCZPE-ILXRZTDVSA-N 2 0 285.432 -0.049 20 0 CBADRP CC[N@H+](C)C[C@@H](O)CN1CCC(c2nnnn2C)CC1 ZINC000879916167 584253594 /nfs/dbraw/zinc/25/35/94/584253594.db2.gz JGAUNVMUPCPUNA-GFCCVEGCSA-N 2 0 282.392 -0.298 20 0 CBADRP C[NH+](C)CC1(C(=O)N[C@H](CO)C[NH+]2CCCC2)CC1 ZINC000879993506 584258416 /nfs/dbraw/zinc/25/84/16/584258416.db2.gz SIBBDWMYLAZVNV-LBPRGKRZSA-N 2 0 269.389 -0.099 20 0 CBADRP CC[N@@H+]1CC[C@H]1CNC(=O)NCCN1CCOCC1 ZINC000883040981 584336629 /nfs/dbraw/zinc/33/66/29/584336629.db2.gz UUSQSQQMYGXMFZ-LBPRGKRZSA-N 2 0 270.377 -0.288 20 0 CBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000883385211 584340981 /nfs/dbraw/zinc/34/09/81/584340981.db2.gz HKVGQAHLHJASKJ-OLZOCXBDSA-N 2 0 283.420 -0.374 20 0 CBADRP O=C([C@@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000883416385 584341226 /nfs/dbraw/zinc/34/12/26/584341226.db2.gz TWTJUBOWAFWWFV-RDBSUJKOSA-N 2 0 298.406 -0.170 20 0 CBADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCn2cnnn2)CC1 ZINC000883429514 584341914 /nfs/dbraw/zinc/34/19/14/584341914.db2.gz XOGYDIQZKKBNNR-NEPJUHHUSA-N 2 0 266.349 -0.499 20 0 CBADRP Cn1cc([C@@H]2CN(C[C@@H]3C[C@H](F)C[NH2+]3)C[C@H]2[NH3+])cn1 ZINC000883434690 584342254 /nfs/dbraw/zinc/34/22/54/584342254.db2.gz YRBMDLKBBARAQH-ZDEQEGDKSA-N 2 0 267.352 -0.153 20 0 CBADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883439776 584342806 /nfs/dbraw/zinc/34/28/06/584342806.db2.gz ZYNVCDWNPAXBDY-NWBUJAPZSA-N 2 0 298.362 -0.447 20 0 CBADRP CC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C[C@@H]2C1 ZINC000883448619 584342958 /nfs/dbraw/zinc/34/29/58/584342958.db2.gz KQSNDQGTPBZWSH-HZSPNIEDSA-N 2 0 279.384 -0.083 20 0 CBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000883644214 584345745 /nfs/dbraw/zinc/34/57/45/584345745.db2.gz DXMGRSJSAKKOIQ-CYBMUJFWSA-N 2 0 298.431 -0.003 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000884005600 584355426 /nfs/dbraw/zinc/35/54/26/584355426.db2.gz NQEPPAKRPWJDOB-GFCCVEGCSA-N 2 0 268.405 -0.357 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884020462 584356156 /nfs/dbraw/zinc/35/61/56/584356156.db2.gz YWRTYQYTGKHFDE-LBPRGKRZSA-N 2 0 275.356 -0.336 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000884025350 584356460 /nfs/dbraw/zinc/35/64/60/584356460.db2.gz TXBPKXZYVBEUEM-NSHDSACASA-N 2 0 253.302 -0.064 20 0 CBADRP C[C@@H]1CN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC[NH2+]1 ZINC000884031019 584356646 /nfs/dbraw/zinc/35/66/46/584356646.db2.gz DDPYGCYJXNWPNR-GFCCVEGCSA-N 2 0 289.383 -0.075 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC2(C)C)CCO1 ZINC000884042463 584357361 /nfs/dbraw/zinc/35/73/61/584357361.db2.gz AKEVEOZVIVPMFN-DCAQKATOSA-N 2 0 255.362 -0.193 20 0 CBADRP C[C@H](CNC(=O)[C@@H]1C[NH2+]CC1(C)C)N1CC[NH+](C)CC1 ZINC000884234952 584368957 /nfs/dbraw/zinc/36/89/57/584368957.db2.gz IVCZNRPKTRULKK-OLZOCXBDSA-N 2 0 282.432 -0.016 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000884289834 584372443 /nfs/dbraw/zinc/37/24/43/584372443.db2.gz KVXYTIDDDIXOOS-STQMWFEESA-N 2 0 280.416 -0.262 20 0 CBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000884358786 584376272 /nfs/dbraw/zinc/37/62/72/584376272.db2.gz YAGBWPSURHSTPC-UWVGGRQHSA-N 2 0 263.345 -0.089 20 0 CBADRP CCO[C@@H]1CN(C(=O)[C@H]([NH3+])CC2CC2)C[C@H]1C[NH3+] ZINC000884385990 584378065 /nfs/dbraw/zinc/37/80/65/584378065.db2.gz BAEJBGCNTBBBMC-IJLUTSLNSA-N 2 0 255.362 -0.064 20 0 CBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]([NH3+])CC1CC1 ZINC000884406591 584379512 /nfs/dbraw/zinc/37/95/12/584379512.db2.gz YSOBZMXRAMDUCM-GFCCVEGCSA-N 2 0 284.404 -0.408 20 0 CBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000884431625 584381198 /nfs/dbraw/zinc/38/11/98/584381198.db2.gz ZJZMTZVZADHLRS-NEPJUHHUSA-N 2 0 296.415 -0.312 20 0 CBADRP CO[C@@H](C[NH3+])C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000884449236 584382252 /nfs/dbraw/zinc/38/22/52/584382252.db2.gz ZJOWCUMOGDPAKK-LBPRGKRZSA-N 2 0 265.313 -0.156 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000884491513 584385036 /nfs/dbraw/zinc/38/50/36/584385036.db2.gz XCGISOZUNQKOOQ-VOAKCMCISA-N 2 0 294.399 -0.452 20 0 CBADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000884529807 584386813 /nfs/dbraw/zinc/38/68/13/584386813.db2.gz WSYWSSPYYGJMJP-TXEJJXNPSA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000884576189 584388769 /nfs/dbraw/zinc/38/87/69/584388769.db2.gz BNJJEEWICBSHKQ-CHWSQXEVSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000884577193 584388825 /nfs/dbraw/zinc/38/88/25/584388825.db2.gz ZHVOOZYHUPBKCV-JHJVBQTASA-N 2 0 296.415 -0.217 20 0 CBADRP CCN(C(=O)C(=O)NCC[N@H+](CC)C1CC1)[C@H]1CC[NH2+]C1 ZINC000884601216 584389628 /nfs/dbraw/zinc/38/96/28/584389628.db2.gz DVSWEDFLLJNDBJ-ZDUSSCGKSA-N 2 0 296.415 -0.203 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884601488 584389687 /nfs/dbraw/zinc/38/96/87/584389687.db2.gz MUKNHQMCDRJFLG-RWMBFGLXSA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884601742 584389762 /nfs/dbraw/zinc/38/97/62/584389762.db2.gz UQPJEQYFPPRFPA-QJPTWQEYSA-N 2 0 284.404 -0.219 20 0 CBADRP C[C@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C(C)(C)C[NH+](C)C ZINC000884608922 584390700 /nfs/dbraw/zinc/39/07/00/584390700.db2.gz ZLIFVIVETFSORP-SRVKXCTJSA-N 2 0 296.415 -0.348 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884617449 584391025 /nfs/dbraw/zinc/39/10/25/584391025.db2.gz MSAMBCRNKLQJGX-AVGNSLFASA-N 2 0 294.399 -0.450 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884626141 584391645 /nfs/dbraw/zinc/39/16/45/584391645.db2.gz BFGHDCVWKLITKH-VOAKCMCISA-N 2 0 294.399 -0.323 20 0 CBADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884626195 584391818 /nfs/dbraw/zinc/39/18/18/584391818.db2.gz DFZVXOCAHGITHX-CYDGBPFRSA-N 2 0 292.383 -0.698 20 0 CBADRP CC(C)([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000884631378 584392152 /nfs/dbraw/zinc/39/21/52/584392152.db2.gz IGPXXPGLBRZDFP-GFCCVEGCSA-N 2 0 296.415 -0.170 20 0 CBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000884665293 584393563 /nfs/dbraw/zinc/39/35/63/584393563.db2.gz OIRFUFJPBCFAHK-JHJVBQTASA-N 2 0 298.431 -0.114 20 0 CBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)C[NH+]1CCCC1 ZINC000884668896 584393754 /nfs/dbraw/zinc/39/37/54/584393754.db2.gz GPKHYCCYHVOEFN-UPJWGTAASA-N 2 0 296.415 -0.217 20 0 CBADRP CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000884672800 584394059 /nfs/dbraw/zinc/39/40/59/584394059.db2.gz DBFHNMYMGLHEKE-UHFFFAOYSA-N 2 0 296.415 -0.072 20 0 CBADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NCC[NH3+] ZINC000884672947 584394069 /nfs/dbraw/zinc/39/40/69/584394069.db2.gz ICTWPSJCTLHYTF-UHFFFAOYSA-N 2 0 284.404 -0.214 20 0 CBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)NCCC[NH3+])CC1 ZINC000884673179 584394235 /nfs/dbraw/zinc/39/42/35/584394235.db2.gz POLKUEQRCPXSDW-UHFFFAOYSA-N 2 0 284.404 -0.170 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC000884673749 584394471 /nfs/dbraw/zinc/39/44/71/584394471.db2.gz FDOKXZAAQMHGIM-UPJWGTAASA-N 2 0 294.399 -0.593 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC[C@@H]21 ZINC000884687947 584396651 /nfs/dbraw/zinc/39/66/51/584396651.db2.gz NWEJECDKXDLMAR-UPJWGTAASA-N 2 0 294.399 -0.593 20 0 CBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000884704128 584398922 /nfs/dbraw/zinc/39/89/22/584398922.db2.gz VPHFMMXXNTYLTK-NSHDSACASA-N 2 0 284.404 -0.217 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCC(C)(C)[NH3+])CC[C@@H]21 ZINC000884709027 584399809 /nfs/dbraw/zinc/39/98/09/584399809.db2.gz SGUZWBXOULDVRU-QWRGUYRKSA-N 2 0 282.388 -0.608 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCC3([NH3+])CCC3)CC[C@H]21 ZINC000884715583 584400082 /nfs/dbraw/zinc/40/00/82/584400082.db2.gz YGGZGHZPBYGAFQ-NWDGAFQWSA-N 2 0 294.399 -0.463 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCC3([NH3+])CCC3)CC[C@@H]21 ZINC000884715584 584400136 /nfs/dbraw/zinc/40/01/36/584400136.db2.gz YGGZGHZPBYGAFQ-RYUDHWBXSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000884775067 584401964 /nfs/dbraw/zinc/40/19/64/584401964.db2.gz XWLUHWCCJAQJCH-WYUUTHIRSA-N 2 0 282.388 -0.609 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884824062 584403937 /nfs/dbraw/zinc/40/39/37/584403937.db2.gz PPSKZBQGEFPFEI-RVMXOQNASA-N 2 0 294.399 -0.594 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884824061 584404003 /nfs/dbraw/zinc/40/40/03/584404003.db2.gz PPSKZBQGEFPFEI-LOWDOPEQSA-N 2 0 294.399 -0.594 20 0 CBADRP CCN([C@H]1CC[NH2+]C1)S(=O)(=O)CCC[NH+](C)C ZINC000886893331 584451202 /nfs/dbraw/zinc/45/12/02/584451202.db2.gz POLSDBJXYYHXDT-NSHDSACASA-N 2 0 263.407 -0.048 20 0 CBADRP C[N@H+](CCO)CCNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000886967331 584452711 /nfs/dbraw/zinc/45/27/11/584452711.db2.gz XSYFRIIAQZTWFE-MRVPVSSYSA-N 2 0 286.298 -0.511 20 0 CBADRP CCN(C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)[C@H]1CC[NH2+]C1 ZINC000887066417 584460897 /nfs/dbraw/zinc/46/08/97/584460897.db2.gz LDKCPZLCIQNCIS-QWHCGFSZSA-N 2 0 296.415 -0.251 20 0 CBADRP CCN(C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)[C@@H]1CC[NH2+]C1 ZINC000887066416 584461016 /nfs/dbraw/zinc/46/10/16/584461016.db2.gz LDKCPZLCIQNCIS-OLZOCXBDSA-N 2 0 296.415 -0.251 20 0 CBADRP CC[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000890057946 584540454 /nfs/dbraw/zinc/54/04/54/584540454.db2.gz RJTSXLMRXWSNRV-NWDGAFQWSA-N 2 0 270.377 -0.554 20 0 CBADRP C[NH+]1CCC(NC(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC000891523317 584584370 /nfs/dbraw/zinc/58/43/70/584584370.db2.gz CTNJYLGMSUVWNT-UHFFFAOYSA-N 2 0 284.404 -0.164 20 0 CBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000891576878 584587051 /nfs/dbraw/zinc/58/70/51/584587051.db2.gz OTPSZAXHKWKVQU-KCQAQPDRSA-N 2 0 296.415 -0.042 20 0 CBADRP CN1CC[NH+](CCCCNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000891578893 584587168 /nfs/dbraw/zinc/58/71/68/584587168.db2.gz CASQCAKNILEHNC-KBPBESRZSA-N 2 0 295.431 -0.230 20 0 CBADRP C[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC000891604221 584587795 /nfs/dbraw/zinc/58/77/95/584587795.db2.gz WLGWMKRLMKCOPU-MELADBBJSA-N 2 0 297.447 -0.094 20 0 CBADRP C[NH+](C)CCOCCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891842195 584593027 /nfs/dbraw/zinc/59/30/27/584593027.db2.gz QGDNYXPRXCMKTN-PHIMTYICSA-N 2 0 258.366 -0.399 20 0 CBADRP [NH3+][C@H]1C[C@H](CNC(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000891916323 584594028 /nfs/dbraw/zinc/59/40/28/584594028.db2.gz BOWBDVYNUHRMQR-HAQNSBGRSA-N 2 0 270.377 -0.255 20 0 CBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000891919840 584594411 /nfs/dbraw/zinc/59/44/11/584594411.db2.gz URNQFKZMTIMKNV-NEPJUHHUSA-N 2 0 270.377 -0.160 20 0 CBADRP CNc1cc(N2CCCN(CC(N)=O)CC2)ncn1 ZINC000891934295 584594605 /nfs/dbraw/zinc/59/46/05/584594605.db2.gz FLBZZIWQLAHKJW-UHFFFAOYSA-N 2 0 264.333 -0.484 20 0 CBADRP O=C(NCCCN1CC[NH2+]CC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891967820 584595776 /nfs/dbraw/zinc/59/57/76/584595776.db2.gz BIOFZNXJUZQBIG-UONOGXRCSA-N 2 0 295.431 -0.182 20 0 CBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCCN1CC[NH2+]CC1 ZINC000891968519 584595828 /nfs/dbraw/zinc/59/58/28/584595828.db2.gz MXNPUUJJHMRRFA-VXGBXAGGSA-N 2 0 269.393 -0.587 20 0 CBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000891972583 584596253 /nfs/dbraw/zinc/59/62/53/584596253.db2.gz JADRARRMSPALQX-JOCQHMNTSA-N 2 0 283.420 -0.292 20 0 CBADRP [NH3+]CCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891975826 584596527 /nfs/dbraw/zinc/59/65/27/584596527.db2.gz GTUPTQYKJPBRAA-SNVBAGLBSA-N 2 0 256.350 -0.597 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCC[NH3+])C[C@H]1C[NH+](C)C ZINC000891985178 584597033 /nfs/dbraw/zinc/59/70/33/584597033.db2.gz XFEDLBOVOSBENY-CHWSQXEVSA-N 3 0 285.436 -0.284 20 0 CBADRP C[NH2+]CCNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891993705 584597824 /nfs/dbraw/zinc/59/78/24/584597824.db2.gz JIRWARPLPNBELN-SFYZADRCSA-N 2 0 268.283 -0.016 20 0 CBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000892014510 584599160 /nfs/dbraw/zinc/59/91/60/584599160.db2.gz HRSKISZKNNVQJK-RYUDHWBXSA-N 2 0 284.404 -0.117 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCC3C[NH2+]C3)CC[C@@H]21 ZINC000892047696 584601267 /nfs/dbraw/zinc/60/12/67/584601267.db2.gz ARBFZRLTQNJZED-NEPJUHHUSA-N 2 0 252.362 -0.059 20 0 CBADRP COCC[NH2+]CCNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892050999 584601555 /nfs/dbraw/zinc/60/15/55/584601555.db2.gz KJKIGLPXYBXINV-UHFFFAOYSA-N 2 0 270.377 -0.112 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000892051723 584601560 /nfs/dbraw/zinc/60/15/60/584601560.db2.gz WUELXHVLTYUYES-QWHCGFSZSA-N 2 0 284.404 -0.042 20 0 CBADRP COCC[NH2+]CCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892050261 584601656 /nfs/dbraw/zinc/60/16/56/584601656.db2.gz BNZIVMSTMOJHOW-PHIMTYICSA-N 2 0 256.350 -0.632 20 0 CBADRP COCC[NH2+]CCNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000892055620 584601851 /nfs/dbraw/zinc/60/18/51/584601851.db2.gz KQFAUTFYXLZDQO-NEPJUHHUSA-N 2 0 270.377 -0.242 20 0 CBADRP CCN(C(=O)NCC[NH2+]CCOC)[C@H]1CC[NH2+]C1 ZINC000892054479 584601978 /nfs/dbraw/zinc/60/19/78/584601978.db2.gz CRZUHRKWVOAYIW-NSHDSACASA-N 2 0 258.366 -0.384 20 0 CBADRP C[C@H](C[NH3+])NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000892061295 584602519 /nfs/dbraw/zinc/60/25/19/584602519.db2.gz FWCACGSJWFTAPS-ZJUUUORDSA-N 2 0 258.366 -0.522 20 0 CBADRP C[C@H](C[NH3+])NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000892062806 584602738 /nfs/dbraw/zinc/60/27/38/584602738.db2.gz VHTISQPFEOVOOE-JHJVBQTASA-N 3 0 285.436 -0.286 20 0 CBADRP CC[C@@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000892147087 584606088 /nfs/dbraw/zinc/60/60/88/584606088.db2.gz RVIAHPJCCHOYCK-MNOVXSKESA-N 2 0 272.393 -0.132 20 0 CBADRP C[N@@H+]1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1(C)C ZINC000892184084 584608529 /nfs/dbraw/zinc/60/85/29/584608529.db2.gz OTNTYDHFMWKVEN-LLVKDONJSA-N 2 0 270.377 -0.290 20 0 CBADRP O=C(NCC12CC(C1)C[NH2+]2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892261970 584611305 /nfs/dbraw/zinc/61/13/05/584611305.db2.gz QKMVSRXIEXKSMI-VOZVASTJSA-N 2 0 250.346 -0.116 20 0 CBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3COCC[NH2+]3)CC[C@H]21 ZINC000892288995 584612764 /nfs/dbraw/zinc/61/27/64/584612764.db2.gz IMBLIFYODRYUTE-JHJVBQTASA-N 2 0 282.388 -0.290 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000892288692 584612809 /nfs/dbraw/zinc/61/28/09/584612809.db2.gz FRJXSPZMZUVWFC-NTZNESFSSA-N 2 0 268.361 -0.441 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000892289822 584613211 /nfs/dbraw/zinc/61/32/11/584613211.db2.gz CKJHLDPUFQVLDZ-RYUDHWBXSA-N 2 0 270.377 -0.112 20 0 CBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000892290735 584613224 /nfs/dbraw/zinc/61/32/24/584613224.db2.gz SEUOWBGIVKZHAV-IJLUTSLNSA-N 2 0 268.361 -0.489 20 0 CBADRP [NH3+]CC1(NC(=O)NC[C@@H]2COCC[NH2+]2)CCCCC1 ZINC000892290769 584613229 /nfs/dbraw/zinc/61/32/29/584613229.db2.gz SRSBFOYOBHILOX-LLVKDONJSA-N 2 0 270.377 -0.064 20 0 CBADRP [NH3+]CCCOCCNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000892289820 584613304 /nfs/dbraw/zinc/61/33/04/584613304.db2.gz CKJHLDPUFQVLDZ-NEPJUHHUSA-N 2 0 270.377 -0.112 20 0 CBADRP O=C(NC[C@H]1COCC[NH2+]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892289528 584613377 /nfs/dbraw/zinc/61/33/77/584613377.db2.gz NWCWEUBFPVYIOY-AXFHLTTASA-N 2 0 254.334 -0.879 20 0 CBADRP [NH3+]CCCOCCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000892289275 584613386 /nfs/dbraw/zinc/61/33/86/584613386.db2.gz BXNXMRLEVJYZIP-JTQLQIEISA-N 2 0 294.346 -0.104 20 0 CBADRP CCN(C(=O)NCCOCCC[NH3+])[C@H]1CC[NH2+]C1 ZINC000892292391 584613579 /nfs/dbraw/zinc/61/35/79/584613579.db2.gz PLEAQVLLJCPWAW-NSHDSACASA-N 2 0 258.366 -0.255 20 0 CBADRP [NH3+]CCCOCCNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000892291794 584613583 /nfs/dbraw/zinc/61/35/83/584613583.db2.gz PWMUHFHFFKYCQE-YPMHNXCESA-N 2 0 270.377 -0.064 20 0 CBADRP [NH3+]CCCOCCNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000892291791 584613590 /nfs/dbraw/zinc/61/35/90/584613590.db2.gz PWMUHFHFFKYCQE-DGCLKSJQSA-N 2 0 270.377 -0.064 20 0 CBADRP CN1CCN(C(=O)NC[C@H]2CCC[NH+]2C)CC[N@H+](C)CC1 ZINC000892330299 584615158 /nfs/dbraw/zinc/61/51/58/584615158.db2.gz HUCHBDBEZDMUGY-CQSZACIVSA-N 2 0 297.447 -0.031 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892463749 584617054 /nfs/dbraw/zinc/61/70/54/584617054.db2.gz QHGAVKLPYUCADM-UHFFFAOYSA-N 2 0 284.404 -0.034 20 0 CBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N2C3CCC2(C[NH3+])CC3)C1 ZINC000892464032 584617076 /nfs/dbraw/zinc/61/70/76/584617076.db2.gz ZSPOVWNTEFXLSR-UBHUBRDASA-N 2 0 282.388 -0.282 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNc1cc[nH+]cc1CO ZINC000892468358 584617084 /nfs/dbraw/zinc/61/70/84/584617084.db2.gz SANMJUOYOZCALS-LBPRGKRZSA-N 2 0 250.346 -0.347 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892464806 584617109 /nfs/dbraw/zinc/61/71/09/584617109.db2.gz JZZNAGVWTFNKDM-QRMWWUJWSA-N 2 0 284.404 -0.036 20 0 CBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000892547091 584618032 /nfs/dbraw/zinc/61/80/32/584618032.db2.gz QDXPBQOUJZEVPP-MEWQQHAOSA-N 2 0 252.362 -0.025 20 0 CBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000892553608 584618597 /nfs/dbraw/zinc/61/85/97/584618597.db2.gz PWIRSMWGCQYAPT-XQHKEYJVSA-N 2 0 284.404 -0.180 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892560906 584618721 /nfs/dbraw/zinc/61/87/21/584618721.db2.gz WCIBOQGQUXHAQO-JFGNBEQYSA-N 2 0 258.366 -0.665 20 0 CBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000892593013 584620334 /nfs/dbraw/zinc/62/03/34/584620334.db2.gz GCNOYBHECGXUTI-QVHKTLOISA-N 2 0 296.415 -0.117 20 0 CBADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892759600 584625059 /nfs/dbraw/zinc/62/50/59/584625059.db2.gz KAKWRIYMHAAFFU-AVGNSLFASA-N 2 0 294.399 -0.099 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NCCC(C)(C)[NH3+])CCO1 ZINC000892851228 584628193 /nfs/dbraw/zinc/62/81/93/584628193.db2.gz RWRWTZHDBWOVMO-VHSXEESVSA-N 2 0 258.366 -0.129 20 0 CBADRP CCC1([NH3+])CCN(C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000892933917 584629886 /nfs/dbraw/zinc/62/98/86/584629886.db2.gz TWIWIIFDTDJEOU-GFCCVEGCSA-N 2 0 283.420 -0.116 20 0 CBADRP CCC1([NH3+])CCN(C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000892932733 584630014 /nfs/dbraw/zinc/63/00/14/584630014.db2.gz AGUQESDHNQTCHV-NSHDSACASA-N 2 0 270.377 -0.031 20 0 CBADRP O=C(NCC[NH+]1CCC(O)CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000893020766 584632460 /nfs/dbraw/zinc/63/24/60/584632460.db2.gz PZZUGYLNFJBPQT-LBPRGKRZSA-N 2 0 296.415 -0.021 20 0 CBADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000893904398 584648742 /nfs/dbraw/zinc/64/87/42/584648742.db2.gz FNGIIHMLRPYYHI-NSHDSACASA-N 2 0 261.391 -0.309 20 0 CBADRP C[NH+](C)CCN1CCN(c2cc[nH+]cc2CO)CC1=O ZINC000894384045 584657134 /nfs/dbraw/zinc/65/71/34/584657134.db2.gz YIWSOMMCPKIZJP-UHFFFAOYSA-N 2 0 278.356 -0.216 20 0 CBADRP C[NH+]1C[C@]2(C)CN(c3nc(N)[nH+]c(N)n3)C[C@@]2(C)C1 ZINC000894802632 584664709 /nfs/dbraw/zinc/66/47/09/584664709.db2.gz QYENHUGZECNHGC-VXGBXAGGSA-N 2 0 263.349 -0.186 20 0 CBADRP C[C@@H](C[NH+](C)C)NC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000894843959 584665488 /nfs/dbraw/zinc/66/54/88/584665488.db2.gz RZARVMOUZTXAAD-ZDUSSCGKSA-N 2 0 285.436 -0.175 20 0 CBADRP CCO[C@@H](CNc1cc[nH+]cc1C(N)=O)C[NH+](C)C ZINC000896118271 584692475 /nfs/dbraw/zinc/69/24/75/584692475.db2.gz YQEOFDFQZQBBBN-JTQLQIEISA-N 2 0 266.345 -0.019 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000896260378 584694931 /nfs/dbraw/zinc/69/49/31/584694931.db2.gz YUPXYEUXLUORAQ-KGLIPLIRSA-N 2 0 297.399 -0.456 20 0 CBADRP CN1CCOC[C@]1(CO)C[NH2+]CC1CC[NH+](C)CC1 ZINC000896460547 584699538 /nfs/dbraw/zinc/69/95/38/584699538.db2.gz QBFGTUNDGSSYTL-CQSZACIVSA-N 2 0 271.405 -0.389 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1C[NH+](C)CCN1C ZINC000896529249 584700746 /nfs/dbraw/zinc/70/07/46/584700746.db2.gz AGLUWHSHXFXRST-AGIUHOORSA-N 2 0 268.405 -0.169 20 0 CBADRP C[C@@H](NC(=O)[C@H](C)[NH+](C)C)[C@H]1C[N@H+](C)CCN1C ZINC000896531562 584701257 /nfs/dbraw/zinc/70/12/57/584701257.db2.gz PSWNUTWWUHKTGA-GRYCIOLGSA-N 2 0 256.394 -0.313 20 0 CBADRP O=C(NCC[NH+]1CCC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897169296 584709398 /nfs/dbraw/zinc/70/93/98/584709398.db2.gz CDJGTMSWOISMFJ-GFCCVEGCSA-N 2 0 253.346 -0.471 20 0 CBADRP C[C@@H]1CC[N@H+](CCNC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000897441582 584716373 /nfs/dbraw/zinc/71/63/73/584716373.db2.gz HCQZPWPZSOUAHF-OCCSQVGLSA-N 2 0 286.420 -0.060 20 0 CBADRP O=C(NCC[N@@H+]1CCCOCC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897503497 584718545 /nfs/dbraw/zinc/71/85/45/584718545.db2.gz YNKRPPFSCLMKCM-CQSZACIVSA-N 2 0 297.399 -0.454 20 0 CBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000897518204 584719583 /nfs/dbraw/zinc/71/95/83/584719583.db2.gz HPRUMKZCZZPZSU-OLZOCXBDSA-N 2 0 284.404 -0.164 20 0 CBADRP C[N@H+](CCO)CCNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000899737338 584778012 /nfs/dbraw/zinc/77/80/12/584778012.db2.gz HOYKNTGXMDYIFZ-LBPRGKRZSA-N 2 0 255.362 -0.347 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[NH+](C)CC1 ZINC000899935483 584785748 /nfs/dbraw/zinc/78/57/48/584785748.db2.gz NSSWVUFBPKHGKE-YPMHNXCESA-N 2 0 255.362 -0.394 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC[NH+](C)CC1 ZINC000899935481 584785829 /nfs/dbraw/zinc/78/58/29/584785829.db2.gz NSSWVUFBPKHGKE-WCQYABFASA-N 2 0 255.362 -0.394 20 0 CBADRP C[NH+](C)CC(=O)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900172066 584794134 /nfs/dbraw/zinc/79/41/34/584794134.db2.gz WDPHBMWOAIHBIR-UHFFFAOYSA-N 2 0 294.399 -0.685 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000900221400 584795881 /nfs/dbraw/zinc/79/58/81/584795881.db2.gz PGQBYZMWFLZWRY-DZGCQCFKSA-N 2 0 299.415 -0.330 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC1CC[NH+](C)CC1 ZINC000900486084 584807311 /nfs/dbraw/zinc/80/73/11/584807311.db2.gz WVIKYXRTYZVIDW-TZMCWYRMSA-N 2 0 269.389 -0.101 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000900516394 584809265 /nfs/dbraw/zinc/80/92/65/584809265.db2.gz BUWRBSFERQMWKF-YPMHNXCESA-N 2 0 273.377 -0.864 20 0 CBADRP COCC[N@H+](C)CCNC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000900519217 584809759 /nfs/dbraw/zinc/80/97/59/584809759.db2.gz WKOILTTWOSBFEK-CQSZACIVSA-N 2 0 287.404 -0.472 20 0 CBADRP CN(CC[NH+]1CCCC1)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900562443 584812247 /nfs/dbraw/zinc/81/22/47/584812247.db2.gz XORWQJZTALOFFT-JSGCOSHPSA-N 2 0 269.389 -0.004 20 0 CBADRP COCCN(CC[NH+](C)C)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000900587133 584813886 /nfs/dbraw/zinc/81/38/86/584813886.db2.gz LSGNVPVFPCRZEL-CQSZACIVSA-N 2 0 299.415 -0.256 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900625634 584817286 /nfs/dbraw/zinc/81/72/86/584817286.db2.gz XTKAKGIOZODCKZ-UKRRQHHQSA-N 2 0 299.415 -0.330 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000900630654 584817528 /nfs/dbraw/zinc/81/75/28/584817528.db2.gz OTMWKBJWFGTRDD-BZPMIXESSA-N 2 0 269.389 -0.101 20 0 CBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000900659378 584819331 /nfs/dbraw/zinc/81/93/31/584819331.db2.gz MTIYHJRGDRZFGF-UKRRQHHQSA-N 2 0 298.431 -0.805 20 0 CBADRP C[NH+](C)C[C@](C)(O)CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000901184256 584853964 /nfs/dbraw/zinc/85/39/64/584853964.db2.gz CLRRFUCZIOVZPC-KGLIPLIRSA-N 2 0 287.404 -0.738 20 0 CBADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](O)COC)CC[NH2+]CC1 ZINC000902514916 584877859 /nfs/dbraw/zinc/87/78/59/584877859.db2.gz RNDAWFVYQYELOA-NEPJUHHUSA-N 2 0 288.388 -0.095 20 0 CBADRP CN1CCOC[C@]1(CO)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000903282709 584889896 /nfs/dbraw/zinc/88/98/96/584889896.db2.gz UTPUGKZZARXYMY-SOUVJXGZSA-N 2 0 283.416 -0.104 20 0 CBADRP CN1CCOC[C@]1(CO)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000903282706 584889985 /nfs/dbraw/zinc/88/99/85/584889985.db2.gz UTPUGKZZARXYMY-QLFBSQMISA-N 2 0 283.416 -0.104 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000903421416 584890220 /nfs/dbraw/zinc/89/02/20/584890220.db2.gz OKTNAKRWFSSHKF-KFWWJZLASA-N 3 0 294.443 -0.014 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000903475786 584891105 /nfs/dbraw/zinc/89/11/05/584891105.db2.gz CXEYWDAMUHCMMW-YTWAJWBKSA-N 2 0 251.330 -0.612 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCn1cncn1)C2 ZINC000903492575 584891722 /nfs/dbraw/zinc/89/17/22/584891722.db2.gz FVIFZTWRHZHKLH-LOWVWBTDSA-N 2 0 279.344 -0.510 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCN1CCOCC1)C2 ZINC000903492358 584891725 /nfs/dbraw/zinc/89/17/25/584891725.db2.gz BEYOWNQTNYSCIF-GUTXKFCHSA-N 2 0 297.399 -0.469 20 0 CBADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493406 584891887 /nfs/dbraw/zinc/89/18/87/584891887.db2.gz RKMNSZLJGNIAJZ-WTBMIXGQSA-N 2 0 269.345 -0.537 20 0 CBADRP COCCOCC[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493871 584891930 /nfs/dbraw/zinc/89/19/30/584891930.db2.gz YPWTYOMLDJQNLG-SCRDCRAPSA-N 2 0 286.372 -0.138 20 0 CBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H]1CCN(C)C1=O)C2 ZINC000903493749 584891933 /nfs/dbraw/zinc/89/19/33/584891933.db2.gz WIUYZECNMLFMJP-OXIWPEFWSA-N 2 0 281.356 -0.571 20 0 CBADRP C[NH2+]C[C@@](C)(O)CN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903513388 584892183 /nfs/dbraw/zinc/89/21/83/584892183.db2.gz KKGVZBRJFLPCBF-IWSPIJDZSA-N 2 0 255.284 -0.222 20 0 CBADRP C[NH+](C)CCCS(=O)(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000903551087 584892992 /nfs/dbraw/zinc/89/29/92/584892992.db2.gz UQXVWZZIQXCNME-SNVBAGLBSA-N 2 0 263.407 -0.145 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000903553844 584893020 /nfs/dbraw/zinc/89/30/20/584893020.db2.gz IUCYSHZOAUAOHN-LLVKDONJSA-N 2 0 290.433 -0.497 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000903564360 584893320 /nfs/dbraw/zinc/89/33/20/584893320.db2.gz XPZNHLBJFYGYOS-GRYCIOLGSA-N 2 0 273.402 -0.202 20 0 CBADRP O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000903562905 584893359 /nfs/dbraw/zinc/89/33/59/584893359.db2.gz LDKSGNQLYPFVBJ-CHWFTXMASA-N 2 0 259.375 -0.449 20 0 CBADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCC[C@]12CC[NH2+]C2 ZINC000903591600 584894149 /nfs/dbraw/zinc/89/41/49/584894149.db2.gz GPLNFGDGANJMKU-VXGBXAGGSA-N 2 0 273.402 -0.104 20 0 CBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000903609831 584895017 /nfs/dbraw/zinc/89/50/17/584895017.db2.gz QXESTTACNMFORR-TUAOUCFPSA-N 2 0 289.401 -0.964 20 0 CBADRP CC1(C)C(=O)NCCN1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903729062 584896182 /nfs/dbraw/zinc/89/61/82/584896182.db2.gz JJVIOGUQIITBLN-RISCZKNCSA-N 2 0 267.373 -0.035 20 0 CBADRP CC(=O)NC[C@@H]1CN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903729209 584896241 /nfs/dbraw/zinc/89/62/41/584896241.db2.gz KUJCFOWMLHOABC-KFWWJZLASA-N 2 0 297.399 -0.408 20 0 CBADRP [NH3+]C[C@@H]1CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903744519 584896805 /nfs/dbraw/zinc/89/68/05/584896805.db2.gz UIPJIEZBYSCDEI-QWHCGFSZSA-N 2 0 269.389 -0.195 20 0 CBADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903746826 584896939 /nfs/dbraw/zinc/89/69/39/584896939.db2.gz LSDCGDZWRUUICB-CRWXNKLISA-N 3 0 251.374 -0.094 20 0 CBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903746305 584897047 /nfs/dbraw/zinc/89/70/47/584897047.db2.gz CCYPVESSBODTDG-AGIUHOORSA-N 2 0 296.415 -0.265 20 0 CBADRP O[C@H](CN1CC[NH2+]C[C@H]1C(F)F)C[NH+]1CCCC1 ZINC000903748969 584897238 /nfs/dbraw/zinc/89/72/38/584897238.db2.gz FBVWQKOJMNMIFN-QWRGUYRKSA-N 2 0 263.332 -0.018 20 0 CBADRP C[C@H]1C[C@H](N(C)C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000903750809 584897367 /nfs/dbraw/zinc/89/73/67/584897367.db2.gz UINGSERWLWPGKC-RWMBFGLXSA-N 2 0 296.415 -0.123 20 0 CBADRP CN(C)C(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903756451 584897638 /nfs/dbraw/zinc/89/76/38/584897638.db2.gz RUGYCPYMYBTXDG-YDHLFZDLSA-N 2 0 296.415 -0.883 20 0 CBADRP [NH3+]C[C@@H]1CN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCCO1 ZINC000903760033 584897864 /nfs/dbraw/zinc/89/78/64/584897864.db2.gz FGCDHMMMKQDGSY-MGPQQGTHSA-N 2 0 269.389 -0.195 20 0 CBADRP CC(=O)NCC[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903764705 584898110 /nfs/dbraw/zinc/89/81/10/584898110.db2.gz VGVZYFUMRZTRPG-CHWSQXEVSA-N 2 0 255.362 -0.177 20 0 CBADRP CN1CC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCC1=O ZINC000903765448 584898127 /nfs/dbraw/zinc/89/81/27/584898127.db2.gz HIPILMLHGNAKBE-GXTWGEPZSA-N 2 0 267.373 -0.081 20 0 CBADRP C[N@H+](CCOCC[NH3+])C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903769922 584898307 /nfs/dbraw/zinc/89/83/07/584898307.db2.gz RLPIBRBRIZVEDV-STQMWFEESA-N 3 0 257.378 -0.338 20 0 CBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC[C@@H]21 ZINC000903776091 584899201 /nfs/dbraw/zinc/89/92/01/584899201.db2.gz JDDUBWURVFHSTM-AVGNSLFASA-N 2 0 294.399 -0.511 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903786445 584899753 /nfs/dbraw/zinc/89/97/53/584899753.db2.gz IYWTVHADTMYGMJ-ZFWWWQNUSA-N 2 0 283.416 -0.069 20 0 CBADRP CN(C[C@@H]1CCC2(C[NH2+]C2)O1)C1(C[NH3+])CCOCC1 ZINC000903809994 584900538 /nfs/dbraw/zinc/90/05/38/584900538.db2.gz PPGSDPSHVAKULP-LBPRGKRZSA-N 2 0 269.389 -0.053 20 0 CBADRP COCC[C@@H]1C[NH2+]CCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903837043 584901561 /nfs/dbraw/zinc/90/15/61/584901561.db2.gz AQIHCQLOEQBJHV-OLZOCXBDSA-N 2 0 269.389 -0.182 20 0 CBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000903843286 584901866 /nfs/dbraw/zinc/90/18/66/584901866.db2.gz HLCDENOTLGSBBN-XQQFMLRXSA-N 3 0 266.389 -0.380 20 0 CBADRP COC[C@@H]1C[NH2+]CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000903881003 584903701 /nfs/dbraw/zinc/90/37/01/584903701.db2.gz AEIPMKKMBNYXTP-STQMWFEESA-N 2 0 257.378 -0.637 20 0 CBADRP CC[C@@H]1C(=O)NCCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903883744 584903836 /nfs/dbraw/zinc/90/38/36/584903836.db2.gz YYWBRDKKNQGORC-VXGBXAGGSA-N 2 0 267.373 -0.035 20 0 CBADRP COC[C@H]1C[NH2+]CCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903882392 584903859 /nfs/dbraw/zinc/90/38/59/584903859.db2.gz NJXQDGKUJIIISS-VXGBXAGGSA-N 2 0 255.362 -0.715 20 0 CBADRP O=C1NC[C@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC000903896876 584904128 /nfs/dbraw/zinc/90/41/28/584904128.db2.gz ALUODARZYMUFTE-WVMKXHBISA-N 2 0 292.383 -0.840 20 0 CBADRP CN(CCOCC[NH3+])Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903936092 584904883 /nfs/dbraw/zinc/90/48/83/584904883.db2.gz YCLMUNKYRFFXTR-LBPRGKRZSA-N 2 0 282.392 -0.390 20 0 CBADRP C[C@H]([NH3+])CN(C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903935484 584904914 /nfs/dbraw/zinc/90/49/14/584904914.db2.gz QIILBGUPGHQVMY-WDEREUQCSA-N 2 0 252.366 -0.018 20 0 CBADRP C[C@H]([NH3+])CN(C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903935483 584904947 /nfs/dbraw/zinc/90/49/47/584904947.db2.gz QIILBGUPGHQVMY-QWRGUYRKSA-N 2 0 252.366 -0.018 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000903968043 584905137 /nfs/dbraw/zinc/90/51/37/584905137.db2.gz QFIOCNCIDLTYBD-UPJWGTAASA-N 3 0 268.405 -0.371 20 0 CBADRP C[C@@H]1C[C@@H](C[NH2+]CC[C@H]2CNCCS2(=O)=O)CC[NH2+]1 ZINC000903970525 584905479 /nfs/dbraw/zinc/90/54/79/584905479.db2.gz YNIDDLCLELWLOA-AGIUHOORSA-N 2 0 289.445 -0.259 20 0 CBADRP CC(C)[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958593562 613894645 /nfs/dbraw/zinc/89/46/45/613894645.db2.gz AIDWFHDRESFDPV-OLZOCXBDSA-N 2 0 281.400 -0.101 20 0 CBADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1)[NH+](C)C ZINC000968996512 614074511 /nfs/dbraw/zinc/07/45/11/614074511.db2.gz JCGOVZLUFYSQCT-AGIUHOORSA-N 2 0 296.415 -0.348 20 0 CBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000959855751 614355435 /nfs/dbraw/zinc/35/54/35/614355435.db2.gz LBKCAHJGAKNSOO-RFQIPJPRSA-N 2 0 281.400 -0.102 20 0 CBADRP CCN1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)CC2(C)C)C1 ZINC000977614502 615171272 /nfs/dbraw/zinc/17/12/72/615171272.db2.gz LKURXRMLKNJWDY-CHWSQXEVSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC000969985199 615374636 /nfs/dbraw/zinc/37/46/36/615374636.db2.gz FANLVGJIIJWUMC-AGIUHOORSA-N 2 0 296.415 -0.252 20 0 CBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H](C)O)C1)[NH+](C)C ZINC000969986317 615375064 /nfs/dbraw/zinc/37/50/64/615375064.db2.gz WNZGOMIFFLKNMF-UTUOFQBUSA-N 2 0 257.378 -0.102 20 0 CBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(CC(N)=O)C[C@H]32)CC[N@@H+]1C ZINC000959966731 615585757 /nfs/dbraw/zinc/58/57/57/615585757.db2.gz MYHYCZKERVAZOE-YCGPCKTQSA-N 2 0 294.399 -0.752 20 0 CBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)[NH+](C)C ZINC000969074662 615603277 /nfs/dbraw/zinc/60/32/77/615603277.db2.gz NCVNEOCIKBBMTI-JHJVBQTASA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980405561 615615113 /nfs/dbraw/zinc/61/51/13/615615113.db2.gz KDXCGVYVWQLKOV-CHWSQXEVSA-N 2 0 296.415 -0.121 20 0 CBADRP CN(CC(N)=O)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000971687295 615987773 /nfs/dbraw/zinc/98/77/73/615987773.db2.gz XJXJCMWABDCCNN-AAEUAGOBSA-N 2 0 282.388 -0.655 20 0 CBADRP C[N@H+](CC(=O)N1CC[C@@H]([NH2+]CCO)C1)C1CCC1 ZINC000968922316 616045106 /nfs/dbraw/zinc/04/51/06/616045106.db2.gz WYNKQUGPZRZJJK-LLVKDONJSA-N 2 0 255.362 -0.347 20 0 CBADRP C[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC000969800133 616166665 /nfs/dbraw/zinc/16/66/65/616166665.db2.gz JZIORMAFSYBEAL-OLZOCXBDSA-N 2 0 294.399 -0.593 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@H]2CN(CCF)C[C@@H]2O)CC1 ZINC000958374323 616167061 /nfs/dbraw/zinc/16/70/61/616167061.db2.gz MCJAKGWPTVNJRS-STQMWFEESA-N 2 0 287.379 -0.293 20 0 CBADRP C[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1 ZINC000978678216 616167184 /nfs/dbraw/zinc/16/71/84/616167184.db2.gz NMAHKKPUCPVUPM-XYYAHUGASA-N 2 0 294.399 -0.893 20 0 CBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000978353824 616180328 /nfs/dbraw/zinc/18/03/28/616180328.db2.gz WOVYARWLERBDBO-YIYPIFLZSA-N 2 0 281.400 -0.243 20 0 CBADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](CC(N)=O)CC1 ZINC000948245755 616191178 /nfs/dbraw/zinc/19/11/78/616191178.db2.gz SMCDYEREIZTZAE-CHWSQXEVSA-N 2 0 296.415 -0.121 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(CC(N)=O)C2 ZINC000981666023 616209086 /nfs/dbraw/zinc/20/90/86/616209086.db2.gz JXUCBUKACNZYPW-LBPRGKRZSA-N 2 0 294.399 -0.510 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC000967926520 616209995 /nfs/dbraw/zinc/20/99/95/616209995.db2.gz XMOJCXGVLXEDRB-OLZOCXBDSA-N 2 0 294.399 -0.497 20 0 CBADRP C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980390209 616265001 /nfs/dbraw/zinc/26/50/01/616265001.db2.gz GAZIKMIFXNZVQT-VXGBXAGGSA-N 2 0 255.362 -0.537 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC000970712761 616265261 /nfs/dbraw/zinc/26/52/61/616265261.db2.gz RMZVBROKJHZKBX-CHWSQXEVSA-N 2 0 294.399 -0.639 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CCO)C3)C1 ZINC000965915361 616265947 /nfs/dbraw/zinc/26/59/47/616265947.db2.gz HGVDPLRVWDYKMU-PEGDAGBESA-N 2 0 281.400 -0.053 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CN(CC(N)=O)CC2(C)C)C1 ZINC000977452048 616269541 /nfs/dbraw/zinc/26/95/41/616269541.db2.gz KGPKTIRAAINPIR-RYUDHWBXSA-N 2 0 296.415 -0.360 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CN(CC(N)=O)CC2(C)C)C1 ZINC000977599324 616379205 /nfs/dbraw/zinc/37/92/05/616379205.db2.gz LWPMEGJCCFOPAX-QWRGUYRKSA-N 2 0 282.388 -0.750 20 0 CBADRP C[N@H+](CCO)[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000972733791 616388409 /nfs/dbraw/zinc/38/84/09/616388409.db2.gz RZIBBHDTALQNHU-OLZOCXBDSA-N 2 0 269.389 -0.147 20 0 CBADRP COCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979047150 616462635 /nfs/dbraw/zinc/46/26/35/616462635.db2.gz FCHKCKJXTPURMP-XDQVBPFNSA-N 2 0 281.400 -0.122 20 0 CBADRP CC1(C)CC[C@H](CNS(=O)(=O)C2C[NH2+]C2)[NH2+]C1 ZINC000923664931 658388220 /nfs/dbraw/zinc/38/82/20/658388220.db2.gz FKUAFPRCYZMLQI-SECBINFHSA-N 2 0 261.391 -0.344 20 0 CBADRP C[NH2+]CCN(C(C)C)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923677080 658393523 /nfs/dbraw/zinc/39/35/23/658393523.db2.gz QDLINSNLZOQBJL-LLVKDONJSA-N 2 0 263.407 -0.002 20 0 CBADRP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CCOCCO ZINC000922108078 657993800 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CC(C)OCC[C@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459466 658285990 /nfs/dbraw/zinc/28/59/90/658285990.db2.gz BVPGXCIJKBSDME-ZDUSSCGKSA-N 2 0 259.394 -0.343 20 0 CBADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000923485202 658303829 /nfs/dbraw/zinc/30/38/29/658303829.db2.gz GSSSANFDFRKTCF-LBPRGKRZSA-N 2 0 282.388 -0.604 20 0 CBADRP CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923482301 658304132 /nfs/dbraw/zinc/30/41/32/658304132.db2.gz YIIJBXIFDDABMI-LLVKDONJSA-N 2 0 263.407 -0.014 20 0 CBADRP [NH3+][C@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[C@H]1C(F)(F)F ZINC000923678352 658397371 /nfs/dbraw/zinc/39/73/71/658397371.db2.gz WXTBDYRZATZCMJ-SFYZADRCSA-N 2 0 287.307 -0.501 20 0 CBADRP C[NH2+]CCN(C(C)C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923677291 658397597 /nfs/dbraw/zinc/39/75/97/658397597.db2.gz RYDQPXUXGLNVHW-UHFFFAOYSA-N 2 0 264.395 -0.934 20 0 CBADRP O=S(=O)(NC[C@H]1CCCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000923564959 658327754 /nfs/dbraw/zinc/32/77/54/658327754.db2.gz DALIXNPGCXFWTE-MNOVXSKESA-N 2 0 261.391 -0.200 20 0 CBADRP C[NH2+]C[C@H]1CCCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923562958 658330312 /nfs/dbraw/zinc/33/03/12/658330312.db2.gz GUHUPHPZYNPNKD-NEPJUHHUSA-N 2 0 275.418 0.000 20 0 CBADRP CC1(C)C[NH2+]CCN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923572673 658335076 /nfs/dbraw/zinc/33/50/76/658335076.db2.gz KUXRLFBQTDQOPN-JTQLQIEISA-N 2 0 261.391 -0.248 20 0 CBADRP C[C@H]1C[C@H](N(C)S(=O)(=O)N2CC[NH2+]CC2)CC[N@@H+]1C ZINC000923619585 658354011 /nfs/dbraw/zinc/35/40/11/658354011.db2.gz XNDOTSZNNMCZIK-NWDGAFQWSA-N 2 0 290.433 -0.449 20 0 CBADRP COCCC[N@H+](C)CCNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923620890 658354293 /nfs/dbraw/zinc/35/42/93/658354293.db2.gz ZNWFGOLBWYSLAH-GFCCVEGCSA-N 2 0 293.433 -0.374 20 0 CBADRP C[C@H]1C[C@@H](NS(=O)(=O)C2C[NH2+]C2)C[N@@H+]1C1CC1 ZINC000923623361 658357712 /nfs/dbraw/zinc/35/77/12/658357712.db2.gz AORXMUUAMFKFFO-DTWKUNHWSA-N 2 0 259.375 -0.497 20 0 CBADRP CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923622875 658357895 /nfs/dbraw/zinc/35/78/95/658357895.db2.gz SUZIVCHUGRTHTM-LLVKDONJSA-N 2 0 275.418 -0.048 20 0 CBADRP C[NH+](C)[C@]1(CNS(=O)(=O)C2C[NH2+]C2)CCSC1 ZINC000923624225 658358798 /nfs/dbraw/zinc/35/87/98/658358798.db2.gz NPMYACRVVVEAEW-JTQLQIEISA-N 2 0 279.431 -0.685 20 0 CBADRP C[C@@H]1C[C@H](NS(=O)(=O)C2C[NH2+]C2)C[N@@H+]1C1CC1 ZINC000923623360 658359753 /nfs/dbraw/zinc/35/97/53/658359753.db2.gz AORXMUUAMFKFFO-BDAKNGLRSA-N 2 0 259.375 -0.497 20 0 CBADRP O=S(=O)(N[C@@H]1CCC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000923638669 658368408 /nfs/dbraw/zinc/36/84/08/658368408.db2.gz RDTOSWOSEBPCPT-MNOVXSKESA-N 2 0 261.391 -0.200 20 0 CBADRP C[NH2+]CCC1CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923637023 658369122 /nfs/dbraw/zinc/36/91/22/658369122.db2.gz UZIFMOFQLHHGRR-UHFFFAOYSA-N 2 0 261.391 -0.391 20 0 CBADRP [NH3+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923637001 658369801 /nfs/dbraw/zinc/36/98/01/658369801.db2.gz UGCOXXFNDFJFDX-GUBZILKMSA-N 2 0 265.354 -0.561 20 0 CBADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000923643715 658370114 /nfs/dbraw/zinc/37/01/14/658370114.db2.gz GMDHOWRAARMQJS-TUAOUCFPSA-N 2 0 273.402 -0.248 20 0 CBADRP O=S(=O)([C@H]1CCC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000923641141 658370951 /nfs/dbraw/zinc/37/09/51/658370951.db2.gz KDAVTMJZCGRMEL-VWYCJHECSA-N 2 0 259.375 -0.638 20 0 CBADRP O=S(=O)(N[C@H]1CCCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000923640907 658371043 /nfs/dbraw/zinc/37/10/43/658371043.db2.gz IXUBEVVLHXOGBV-QWRGUYRKSA-N 2 0 261.391 -0.200 20 0 CBADRP C[C@@H](CCCC[NH3+])NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923640778 658371105 /nfs/dbraw/zinc/37/11/05/658371105.db2.gz MPLBOBDRSMTGFL-JTQLQIEISA-N 2 0 264.395 -0.757 20 0 CBADRP [NH3+]CC[C@H](NS(=O)(=O)[C@@H]1CCC[NH2+]C1)C(F)F ZINC000923642689 658371892 /nfs/dbraw/zinc/37/18/92/658371892.db2.gz XRQUMXRYGGNCGG-SFYZADRCSA-N 2 0 271.333 -0.360 20 0 CBADRP CN(CC[NH+]1CCCCC1)S(=O)(=O)C1C[NH2+]C1 ZINC000923652894 658377535 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C[N@@H+]1CCN(CCN[C@H]2C[NH2+]CCOC2)CC1(C)C ZINC000925663726 658864621 /nfs/dbraw/zinc/86/46/21/658864621.db2.gz XKERSXGXXCCBRI-ZDUSSCGKSA-N 2 0 270.421 -0.410 20 0 CBADRP OCCC[N@@H+]1CCC[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925678129 658864920 /nfs/dbraw/zinc/86/49/20/658864920.db2.gz CNERUWYWVVMZOE-QWHCGFSZSA-N 2 0 257.378 -0.589 20 0 CBADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)C1 ZINC000925855606 658874399 /nfs/dbraw/zinc/87/43/99/658874399.db2.gz DBDWYZFZVMTBEH-GMTAPVOTSA-N 2 0 278.418 -0.113 20 0 CBADRP COCC[N@H+](C[C@H](O)CO)CC1CC[NH+](C)CC1 ZINC000931380288 659441765 /nfs/dbraw/zinc/44/17/65/659441765.db2.gz HWPKBWSRAGHQQD-ZDUSSCGKSA-N 2 0 260.378 -0.370 20 0 CBADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC000931437531 659461303 /nfs/dbraw/zinc/46/13/03/659461303.db2.gz RZRPGFPLQATBQN-OUAUKWLOSA-N 2 0 251.330 -0.325 20 0 CBADRP CCOC(=O)[C@](C)(O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931481763 659472849 /nfs/dbraw/zinc/47/28/49/659472849.db2.gz LGAXKRMRJYGMSS-CYBMUJFWSA-N 2 0 288.388 -0.311 20 0 CBADRP C[NH+](C)CC(=O)N1CCN(C(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000037819251 656003932 /nfs/dbraw/zinc/00/39/32/656003932.db2.gz LZCXXMWCKGUWOX-UHFFFAOYSA-N 2 0 298.431 -0.003 20 0 CBADRP C[NH+](C)C[C@H]1CCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000061645178 656032578 /nfs/dbraw/zinc/03/25/78/656032578.db2.gz YMSCWXLCFNHWRL-LLVKDONJSA-N 2 0 276.406 -0.838 20 0 CBADRP O=C(C[C@@H]1CC[NH2+]C1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668054 656058959 /nfs/dbraw/zinc/05/89/59/656058959.db2.gz YGXYLVYDNANMPE-XQQFMLRXSA-N 2 0 267.373 -0.035 20 0 CBADRP CC(=O)N1CCN(C(=O)C[N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091847514 656059073 /nfs/dbraw/zinc/05/90/73/656059073.db2.gz MOOSKUWOHLNMDI-UHFFFAOYSA-N 2 0 296.415 -0.121 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CCN(CC(N)=O)CC1 ZINC000121003710 656067056 /nfs/dbraw/zinc/06/70/56/656067056.db2.gz JUMZTLHQIGKSPD-NSHDSACASA-N 2 0 268.361 -0.854 20 0 CBADRP C[C@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@H](C)[NH2+]1 ZINC000188185586 656096364 /nfs/dbraw/zinc/09/63/64/656096364.db2.gz ROFKMEVEYDOYNA-IUCAKERBSA-N 2 0 263.345 -0.122 20 0 CBADRP CC[N@H+](CCNS(=O)(=O)N1CC[NH2+]CC1)C1CC1 ZINC000220259570 656104959 /nfs/dbraw/zinc/10/49/59/656104959.db2.gz AZWPXTNXKQTWFZ-UHFFFAOYSA-N 2 0 276.406 -0.790 20 0 CBADRP C[C@H](CNS(=O)(=O)N1CC[NH2+]CC1)[N@H+](C)C1CC1 ZINC000220260152 656105259 /nfs/dbraw/zinc/10/52/59/656105259.db2.gz RMUICEDPDYFMRA-SNVBAGLBSA-N 2 0 276.406 -0.791 20 0 CBADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000227127318 656108288 /nfs/dbraw/zinc/10/82/88/656108288.db2.gz VUEVZLIZBRUTGQ-RYUDHWBXSA-N 2 0 267.373 -0.035 20 0 CBADRP CN(C)S(=O)(=O)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000230994164 656112342 /nfs/dbraw/zinc/11/23/42/656112342.db2.gz IFSLJVPXQJZQPK-UHFFFAOYSA-N 2 0 263.407 -0.191 20 0 CBADRP C[NH2+]CC1CC[NH+](C[C@H](O)COCCOC)CC1 ZINC000234361881 656114771 /nfs/dbraw/zinc/11/47/71/656114771.db2.gz FLLSRABAPSBMIK-ZDUSSCGKSA-N 2 0 260.378 -0.058 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250572382 656121970 /nfs/dbraw/zinc/12/19/70/656121970.db2.gz LHHYPMLCHVAIAG-OBJOEFQTSA-N 2 0 296.415 -0.171 20 0 CBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000250374321 656122141 /nfs/dbraw/zinc/12/21/41/656122141.db2.gz JSLVLEFFWBPRQF-RYUDHWBXSA-N 2 0 254.378 -0.524 20 0 CBADRP C[C@@H]([NH3+])CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261765695 656126294 /nfs/dbraw/zinc/12/62/94/656126294.db2.gz IJKJAUSWWDBMQA-VXGBXAGGSA-N 2 0 255.362 -0.096 20 0 CBADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1cnccn1 ZINC000262182089 656129431 /nfs/dbraw/zinc/12/94/31/656129431.db2.gz RATYFINSIBNPMS-UHFFFAOYSA-N 2 0 263.345 -0.270 20 0 CBADRP CC(=O)NC[C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262274130 656130039 /nfs/dbraw/zinc/13/00/39/656130039.db2.gz YQTCMZNKFMJBIU-CQSZACIVSA-N 2 0 296.415 -0.344 20 0 CBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)CNC(=O)C[NH3+] ZINC000262436294 656132463 /nfs/dbraw/zinc/13/24/63/656132463.db2.gz TWAJRNNHJUJPNT-NSHDSACASA-N 2 0 270.377 -0.558 20 0 CBADRP C[NH+]1CCN(CCNC(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000310775267 656144380 /nfs/dbraw/zinc/14/43/80/656144380.db2.gz VOBQKMTVWQAXEW-GFCCVEGCSA-N 2 0 254.378 -0.523 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000311016205 656144843 /nfs/dbraw/zinc/14/48/43/656144843.db2.gz KUJUDAKTQPRHEE-XQQFMLRXSA-N 2 0 259.394 -0.263 20 0 CBADRP C[NH+]1CCN(CCCNC(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000311855238 656146198 /nfs/dbraw/zinc/14/61/98/656146198.db2.gz POEYJYUIEUWMOQ-CYBMUJFWSA-N 2 0 268.405 -0.133 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)C1CC[NH+](C)CC1 ZINC000337552605 656151332 /nfs/dbraw/zinc/15/13/32/656151332.db2.gz CKMGKJJXBMVCEV-ZDUSSCGKSA-N 2 0 257.378 -0.243 20 0 CBADRP O=C1[C@H]([NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCN1C1CCOCC1 ZINC000359307711 656165270 /nfs/dbraw/zinc/16/52/70/656165270.db2.gz OBYJICZUJYOSSZ-SGMGOOAPSA-N 2 0 279.384 -0.083 20 0 CBADRP C[NH+]1CCC(NC(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000446267944 656171842 /nfs/dbraw/zinc/17/18/42/656171842.db2.gz XOXSCBUZBAHZPL-UHFFFAOYSA-N 2 0 263.345 -0.121 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000702417773 656180506 /nfs/dbraw/zinc/18/05/06/656180506.db2.gz OFBATDBPEQXVSR-OLZOCXBDSA-N 2 0 268.405 -0.038 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000702419884 656180776 /nfs/dbraw/zinc/18/07/76/656180776.db2.gz IZPHQZWLONXBCQ-LBPRGKRZSA-N 2 0 254.378 -0.382 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH2+]C[C@H]1C(C)C ZINC000704595592 656184427 /nfs/dbraw/zinc/18/44/27/656184427.db2.gz NKFKHOFVCWNYRW-KGLIPLIRSA-N 2 0 273.421 -0.145 20 0 CBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H](N)C[NH+](C)C ZINC000705179168 656185012 /nfs/dbraw/zinc/18/50/12/656185012.db2.gz SXSCPSPPMFXVGX-RYUDHWBXSA-N 2 0 256.394 -0.325 20 0 CBADRP COCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000705811431 656186981 /nfs/dbraw/zinc/18/69/81/656186981.db2.gz DUUDTLJAXFGLKI-VXGBXAGGSA-N 2 0 257.378 -0.169 20 0 CBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]2)C[C@H]1C[NH+](C)C ZINC000705878940 656187691 /nfs/dbraw/zinc/18/76/91/656187691.db2.gz PBPOGUYUADKRLM-JHJVBQTASA-N 3 0 268.405 -0.454 20 0 CBADRP O=C(CCC1C[NH2+]C1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000709443188 656195778 /nfs/dbraw/zinc/19/57/78/656195778.db2.gz CDWPVGJZHNEUMB-CHWSQXEVSA-N 2 0 267.373 -0.035 20 0 CBADRP COC(=O)[C@@](C)(O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710607308 656199248 /nfs/dbraw/zinc/19/92/48/656199248.db2.gz OMRNHYKYYJSADH-LBPRGKRZSA-N 2 0 274.361 -0.701 20 0 CBADRP COC[C@@]1(C(=O)NC[C@@H](C)[NH+](C)C)C[NH2+]CCO1 ZINC000710711165 656199773 /nfs/dbraw/zinc/19/97/73/656199773.db2.gz NHSFZKYQELAYPB-ZYHUDNBSSA-N 2 0 259.350 -0.942 20 0 CBADRP COC[C@]1(C(=O)NCC[C@@H](C)[NH+](C)C)C[NH2+]CCO1 ZINC000710704857 656199884 /nfs/dbraw/zinc/19/98/84/656199884.db2.gz WYKASHKBCUTYOA-YPMHNXCESA-N 2 0 273.377 -0.552 20 0 CBADRP COC[C@@]1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000710741574 656200774 /nfs/dbraw/zinc/20/07/74/656200774.db2.gz HTNJLUDIZXSLOR-SMDDNHRTSA-N 2 0 283.372 -0.656 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(COC)C[NH2+]CCO2)C1 ZINC000710782143 656201210 /nfs/dbraw/zinc/20/12/10/656201210.db2.gz GTJIPLRVTROCDB-JSGCOSHPSA-N 2 0 285.388 -0.551 20 0 CBADRP CC[NH+]1CCC(NC(=O)[C@]2(COC)C[NH2+]CCO2)CC1 ZINC000710784215 656201258 /nfs/dbraw/zinc/20/12/58/656201258.db2.gz PXUQZSYAZUYOJX-CQSZACIVSA-N 2 0 285.388 -0.408 20 0 CBADRP C[N@H+](CCCCCC[NH3+])CCN1C(=O)CNC1=O ZINC000710782681 656201688 /nfs/dbraw/zinc/20/16/88/656201688.db2.gz WERRYIMBSJXIOC-UHFFFAOYSA-N 2 0 256.350 -0.011 20 0 CBADRP CC[N@H+](CCNC(=O)[C@]1(COC)C[NH2+]CCO1)C1CC1 ZINC000710783032 656201796 /nfs/dbraw/zinc/20/17/96/656201796.db2.gz KKYXYSPSUACAAO-CQSZACIVSA-N 2 0 285.388 -0.408 20 0 CBADRP COC[C@]1(C(=O)NCC2CC[NH+](C)CC2)C[NH2+]CCO1 ZINC000710783647 656201968 /nfs/dbraw/zinc/20/19/68/656201968.db2.gz NMOCOXXBERUXDZ-AWEZNQCLSA-N 2 0 285.388 -0.551 20 0 CBADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@]2(COC)C[NH2+]CCO2)C1 ZINC000710782141 656202137 /nfs/dbraw/zinc/20/21/37/656202137.db2.gz GTJIPLRVTROCDB-GXTWGEPZSA-N 2 0 285.388 -0.551 20 0 CBADRP O=C(NCCO)C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000711889472 656210108 /nfs/dbraw/zinc/21/01/08/656210108.db2.gz RWPFOUJAOAVMHB-UHFFFAOYSA-N 2 0 269.389 -0.051 20 0 CBADRP C[N@@H+]1CCN(C(=O)C(=O)NCC[NH3+])CCC1(C)C ZINC000712688923 656211630 /nfs/dbraw/zinc/21/16/30/656211630.db2.gz LITPWORZUPWMDY-UHFFFAOYSA-N 2 0 256.350 -0.996 20 0 CBADRP COCC[N@H+](C)CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713204962 656211746 /nfs/dbraw/zinc/21/17/46/656211746.db2.gz HSUJTDDTTAKXQK-MDZLAQPJSA-N 2 0 255.362 -0.192 20 0 CBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000715032530 656217815 /nfs/dbraw/zinc/21/78/15/656217815.db2.gz DJVINRWSYPGKAR-KKUMJFAQSA-N 2 0 285.432 -0.001 20 0 CBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000834746214 656242973 /nfs/dbraw/zinc/24/29/73/656242973.db2.gz BLHRJZRLUSKYQP-IUCAKERBSA-N 2 0 281.335 -0.173 20 0 CBADRP C[NH+](C)C[C@H](N)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000876909610 656245218 /nfs/dbraw/zinc/24/52/18/656245218.db2.gz CWVAITABWJYFNM-ZDUSSCGKSA-N 2 0 268.405 -0.134 20 0 CBADRP O=C(CN1CC[NH2+]CC1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877384031 656246684 /nfs/dbraw/zinc/24/66/84/656246684.db2.gz CQOOOIBXMXVMJM-YPMHNXCESA-N 2 0 252.362 -0.708 20 0 CBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884797757 656255768 /nfs/dbraw/zinc/25/57/68/656255768.db2.gz XAEHUHAMVBTOOI-TUAOUCFPSA-N 2 0 282.388 -0.737 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCC(O)CC1 ZINC000896618772 656290886 /nfs/dbraw/zinc/29/08/86/656290886.db2.gz FPIQEMHCCGJACT-NSHDSACASA-N 2 0 270.377 -0.554 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000896618794 656291508 /nfs/dbraw/zinc/29/15/08/656291508.db2.gz GBHAYDOEPVTMOJ-TUAOUCFPSA-N 2 0 252.362 -0.107 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000896618793 656291672 /nfs/dbraw/zinc/29/16/72/656291672.db2.gz GBHAYDOEPVTMOJ-GRYCIOLGSA-N 2 0 252.362 -0.107 20 0 CBADRP C[NH+](C)CC[C@](C)(O)CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897440159 656292953 /nfs/dbraw/zinc/29/29/53/656292953.db2.gz NWAUVNPSOUIWCZ-ZFWWWQNUSA-N 2 0 299.415 -0.474 20 0 CBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC000897764838 656295011 /nfs/dbraw/zinc/29/50/11/656295011.db2.gz PXTKDCGEILYRSD-QWHCGFSZSA-N 2 0 269.389 -0.099 20 0 CBADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C3C[NH+]([C@@H]4CCOC4)C3)C[C@H]21 ZINC000897909518 656295308 /nfs/dbraw/zinc/29/53/08/656295308.db2.gz VVUPWMLXHOYRAR-MQYQWHSLSA-N 2 0 279.384 -0.275 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000900836995 656312227 /nfs/dbraw/zinc/31/22/27/656312227.db2.gz XWOJZCCYXXGJOK-GXTWGEPZSA-N 2 0 287.404 -0.474 20 0 CBADRP COCCC[N@H+](C)CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000900836998 656312377 /nfs/dbraw/zinc/31/23/77/656312377.db2.gz XWOJZCCYXXGJOK-TZMCWYRMSA-N 2 0 287.404 -0.474 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903754465 656322497 /nfs/dbraw/zinc/32/24/97/656322497.db2.gz IYICGCWVKILFRG-LBPRGKRZSA-N 2 0 298.431 -0.018 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903755677 656322544 /nfs/dbraw/zinc/32/25/44/656322544.db2.gz BOLNYUMRHAMAHG-GFCCVEGCSA-N 2 0 298.431 -0.019 20 0 CBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903754464 656322589 /nfs/dbraw/zinc/32/25/89/656322589.db2.gz IYICGCWVKILFRG-GFCCVEGCSA-N 2 0 298.431 -0.018 20 0 CBADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000904299538 656324336 /nfs/dbraw/zinc/32/43/36/656324336.db2.gz HDNLWHNIIOXQDA-MELADBBJSA-N 3 0 280.416 -0.133 20 0 CBADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000904306011 656324363 /nfs/dbraw/zinc/32/43/63/656324363.db2.gz YAVNJHXNMSQRAD-OKILXGFUSA-N 2 0 296.415 -0.800 20 0 CBADRP CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C1CC(C[NH3+])C1 ZINC000904363624 656324912 /nfs/dbraw/zinc/32/49/12/656324912.db2.gz KZPGNFDEZPMQSG-VQXHTEKXSA-N 2 0 261.391 -0.263 20 0 CBADRP [NH3+]CCN(CCO)Cc1ccc(N2CC[NH2+]CC2)o1 ZINC000904355746 656324923 /nfs/dbraw/zinc/32/49/23/656324923.db2.gz RHEJPUUDCJHEIE-UHFFFAOYSA-N 2 0 268.361 -0.558 20 0 CBADRP c1cc(N2CC[NH2+]CC2)oc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000904354475 656325430 /nfs/dbraw/zinc/32/54/30/656325430.db2.gz ZRIVHSXDYGHHBU-UHFFFAOYSA-N 3 0 293.415 -0.316 20 0 CBADRP CNC(=O)NC[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904380967 656325752 /nfs/dbraw/zinc/32/57/52/656325752.db2.gz QUFWVGXOMKGFMB-OUAUKWLOSA-N 2 0 256.350 -0.647 20 0 CBADRP C[C@@]1(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)CCC[NH2+]C1 ZINC000904388409 656325985 /nfs/dbraw/zinc/32/59/85/656325985.db2.gz IZISYDOQXLYRLT-CHWSQXEVSA-N 2 0 289.445 -0.258 20 0 CBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000904420453 656326597 /nfs/dbraw/zinc/32/65/97/656326597.db2.gz OZARZRXPDXTKMA-HZSPNIEDSA-N 3 0 280.416 -0.275 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000904461415 656327694 /nfs/dbraw/zinc/32/76/94/656327694.db2.gz JJTCDEGSWXZNAB-NWDGAFQWSA-N 3 0 268.405 -0.229 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000904957391 656330397 /nfs/dbraw/zinc/33/03/97/656330397.db2.gz XGDRXTKTZJLCFS-LLVKDONJSA-N 2 0 284.404 -0.408 20 0 CBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000904955923 656330518 /nfs/dbraw/zinc/33/05/18/656330518.db2.gz IVCDATLTCJSPHF-GFCCVEGCSA-N 2 0 298.431 -0.147 20 0 CBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000904957977 656330872 /nfs/dbraw/zinc/33/08/72/656330872.db2.gz GXYDMFXUHQVUKP-NWDGAFQWSA-N 2 0 298.431 -0.019 20 0 CBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000904961641 656330899 /nfs/dbraw/zinc/33/08/99/656330899.db2.gz VBVPGGSFTXWGPT-LBPRGKRZSA-N 2 0 298.431 -0.018 20 0 CBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C[NH3+])C3)C[C@]2(C)C1 ZINC000904961967 656331090 /nfs/dbraw/zinc/33/10/90/656331090.db2.gz YCMPIYWUQGRRJU-ZOWXZIJZSA-N 2 0 294.399 -0.796 20 0 CBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000904972553 656331227 /nfs/dbraw/zinc/33/12/27/656331227.db2.gz LNIFAGJNQNZCQC-IUODEOHRSA-N 2 0 296.415 -0.264 20 0 CBADRP CN(CCC[NH3+])C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000904991419 656331826 /nfs/dbraw/zinc/33/18/26/656331826.db2.gz VQGHSYFATORWPK-SMDDNHRTSA-N 2 0 282.388 -0.796 20 0 CBADRP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1(O)CCOCC1 ZINC000905060962 656336327 /nfs/dbraw/zinc/33/63/27/656336327.db2.gz ZMVJSXYIAMQCIF-TZMCWYRMSA-N 2 0 284.400 -0.037 20 0 CBADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905109034 656339381 /nfs/dbraw/zinc/33/93/81/656339381.db2.gz BBVCLNXDONHDGE-RYUDHWBXSA-N 2 0 260.378 -0.181 20 0 CBADRP C[C@H](C[NH2+]C[C@@H](O)C1(O)CCC1)CN1CC[NH+](C)CC1 ZINC000905111486 656339607 /nfs/dbraw/zinc/33/96/07/656339607.db2.gz SCBZKSMZKKIDKB-ZIAGYGMSSA-N 2 0 285.432 -0.265 20 0 CBADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905109035 656339851 /nfs/dbraw/zinc/33/98/51/656339851.db2.gz BBVCLNXDONHDGE-VXGBXAGGSA-N 2 0 260.378 -0.181 20 0 CBADRP CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000905295120 656348913 /nfs/dbraw/zinc/34/89/13/656348913.db2.gz PBQFIAWACFFFJJ-TXEJJXNPSA-N 2 0 280.372 -0.840 20 0 CBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905328912 656349439 /nfs/dbraw/zinc/34/94/39/656349439.db2.gz DNDASNBPRPOALV-UHFFFAOYSA-N 2 0 275.418 0.000 20 0 CBADRP CC(C)[C@H]([NH3+])CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905330246 656349585 /nfs/dbraw/zinc/34/95/85/656349585.db2.gz REJIULQAZNJZTE-LLVKDONJSA-N 2 0 263.407 -0.111 20 0 CBADRP C[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000905341586 656349879 /nfs/dbraw/zinc/34/98/79/656349879.db2.gz APKLTWFFGKIDOX-MNOVXSKESA-N 2 0 275.418 -0.002 20 0 CBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1CC[NH2+]C1 ZINC000905342968 656350496 /nfs/dbraw/zinc/35/04/96/656350496.db2.gz DPAZUKDVXFRKIA-LLVKDONJSA-N 2 0 261.391 -0.485 20 0 CBADRP [NH3+]C[C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CCCO1 ZINC000905344681 656351092 /nfs/dbraw/zinc/35/10/92/656351092.db2.gz QKWPMRDKXPELKL-LBPRGKRZSA-N 2 0 291.417 -0.635 20 0 CBADRP C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905345377 656351235 /nfs/dbraw/zinc/35/12/35/656351235.db2.gz VWFCGRDQEDROKX-WDEREUQCSA-N 2 0 275.418 -0.002 20 0 CBADRP C[C@]1(C[NH3+])CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905345824 656351351 /nfs/dbraw/zinc/35/13/51/656351351.db2.gz ZDRKPDRDMSEFEH-GFCCVEGCSA-N 2 0 275.418 -0.014 20 0 CBADRP C[NH2+]C[C@H](O)CNC[C@@H](O)C[C@H](O)c1ccccc1 ZINC000905355055 656352448 /nfs/dbraw/zinc/35/24/48/656352448.db2.gz RJEUECDWNVTWIL-IHRRRGAJSA-N 2 0 268.357 -0.359 20 0 CBADRP C[C@H]1C[C@H]([NH3+])CN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905358040 656352959 /nfs/dbraw/zinc/35/29/59/656352959.db2.gz CYBUTHFRAUCHEF-ONGXEEELSA-N 2 0 261.391 -0.263 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905362220 656353676 /nfs/dbraw/zinc/35/36/76/656353676.db2.gz NHTMGTZDCOFFBU-MWLCHTKSSA-N 2 0 261.391 -0.487 20 0 CBADRP COC(=O)/C(C)=C\C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000905531517 656360773 /nfs/dbraw/zinc/36/07/73/656360773.db2.gz BGBLBISXTMJVLI-TWEXNZEWSA-N 2 0 285.388 -0.696 20 0 CBADRP CCO[C@H](CNC[C@@H](O)C[NH+]1CCCC1)C[NH+](C)C ZINC000905574857 656362614 /nfs/dbraw/zinc/36/26/14/656362614.db2.gz DSUXCAFXEBCOAQ-ZIAGYGMSSA-N 2 0 273.421 -0.001 20 0 CBADRP Cn1nnnc1CCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000905677205 656365672 /nfs/dbraw/zinc/36/56/72/656365672.db2.gz CAKIOFRTIVXYLM-LLVKDONJSA-N 2 0 268.365 -0.811 20 0 CBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000906618015 656394419 /nfs/dbraw/zinc/39/44/19/656394419.db2.gz HEUBXKZTZIPTMG-CQSZACIVSA-N 2 0 298.431 -0.683 20 0 CBADRP CC[C@@H](C(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1)[NH+](C)C ZINC000996315604 656407713 /nfs/dbraw/zinc/40/77/13/656407713.db2.gz PUHYDVPIENGDNG-QWRGUYRKSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C(N)=O ZINC000996602530 656447181 /nfs/dbraw/zinc/44/71/81/656447181.db2.gz JVUQXXWNHPBSHM-NQBHXWOUSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@@H]([NH2+]C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1)C(N)=O ZINC000996667031 656451541 /nfs/dbraw/zinc/45/15/41/656451541.db2.gz VYUQCQQMGJWPAP-LLVKDONJSA-N 2 0 296.415 -0.075 20 0 CBADRP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]CCO)CC1)C1CC1 ZINC000996680070 656451567 /nfs/dbraw/zinc/45/15/67/656451567.db2.gz SKLMXXYGHZVLAH-CYBMUJFWSA-N 2 0 269.389 -0.101 20 0 CBADRP CC(C)(C(=O)N1CCC([NH2+]CC(N)=O)CC1)[NH+]1CCCC1 ZINC000996867470 656459326 /nfs/dbraw/zinc/45/93/26/656459326.db2.gz JFUFUFHXSDYTFD-UHFFFAOYSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H]([NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1)C(N)=O ZINC000996946066 656461763 /nfs/dbraw/zinc/46/17/63/656461763.db2.gz NWUXLISTQMMKGQ-LLVKDONJSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]CCO)CC1 ZINC000997010291 656463248 /nfs/dbraw/zinc/46/32/48/656463248.db2.gz RGGCLMVWXSDNOX-YPMHNXCESA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1)C(N)=O ZINC000996997084 656463693 /nfs/dbraw/zinc/46/36/93/656463693.db2.gz DZBGAFPVZDGQMJ-VXGBXAGGSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CCO)CC1 ZINC000997009933 656463853 /nfs/dbraw/zinc/46/38/53/656463853.db2.gz RGGCLMVWXSDNOX-DGCLKSJQSA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997012819 656463862 /nfs/dbraw/zinc/46/38/62/656463862.db2.gz YJSLSBPKFGUCLA-PWSUYJOCSA-N 2 0 282.388 -0.750 20 0 CBADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC000997299604 656471984 /nfs/dbraw/zinc/47/19/84/656471984.db2.gz PYDUPEKIBMPOCR-GHMZBOCLSA-N 2 0 282.388 -0.608 20 0 CBADRP O=C(C[NH+]1CCCC1)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000997307473 656472833 /nfs/dbraw/zinc/47/28/33/656472833.db2.gz RTGBHBZFDNHJNM-ZDUSSCGKSA-N 2 0 294.399 -0.449 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997368929 656474584 /nfs/dbraw/zinc/47/45/84/656474584.db2.gz XFCJTPDODPROBO-ZDUSSCGKSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[N@H+](CCO)CCNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000907441209 656507117 /nfs/dbraw/zinc/50/71/17/656507117.db2.gz VYXGGJWIYFVPAM-AWEZNQCLSA-N 2 0 287.404 -0.736 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC000998734587 656577060 /nfs/dbraw/zinc/57/70/60/656577060.db2.gz XPIIYTGMGFJYDE-RYUDHWBXSA-N 2 0 255.362 -0.347 20 0 CBADRP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000907805513 656583387 /nfs/dbraw/zinc/58/33/87/656583387.db2.gz SDYDBWALBHZWSZ-OPDFLTKYSA-N 2 0 267.373 -0.539 20 0 CBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000999175043 656613884 /nfs/dbraw/zinc/61/38/84/656613884.db2.gz SMXUNHSUKRQLHE-ZIAGYGMSSA-N 2 0 281.400 -0.099 20 0 CBADRP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCO)C1)C1CC1 ZINC000999374750 656625571 /nfs/dbraw/zinc/62/55/71/656625571.db2.gz RYQIAVVEORKDSI-OLZOCXBDSA-N 2 0 269.389 -0.101 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]CC(N)=O)C2)C1 ZINC000999409824 656628169 /nfs/dbraw/zinc/62/81/69/656628169.db2.gz TUGXBGNAQWPNGI-VOMCLLRMSA-N 2 0 282.388 -0.608 20 0 CBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000999404114 656628239 /nfs/dbraw/zinc/62/82/39/656628239.db2.gz ZELNDKUAQNQACI-CHWSQXEVSA-N 2 0 296.415 -0.073 20 0 CBADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC000999490504 656630476 /nfs/dbraw/zinc/63/04/76/656630476.db2.gz QPXOTGVPAFEWLJ-GHMZBOCLSA-N 2 0 270.377 -0.608 20 0 CBADRP Cn1ccnc1CCC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000999773064 656649738 /nfs/dbraw/zinc/64/97/38/656649738.db2.gz BHONGEORSFTTRO-LLVKDONJSA-N 2 0 293.371 -0.581 20 0 CBADRP Cn1ccnc1CCC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000999773066 656650057 /nfs/dbraw/zinc/65/00/57/656650057.db2.gz BHONGEORSFTTRO-NSHDSACASA-N 2 0 293.371 -0.581 20 0 CBADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]CCO)C1 ZINC000999831921 656654964 /nfs/dbraw/zinc/65/49/64/656654964.db2.gz NVUJSDBEIGJMSS-UNXYVOJBSA-N 2 0 255.362 -0.491 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC000908201954 656667615 /nfs/dbraw/zinc/66/76/15/656667615.db2.gz NNMPTVDLKCZYEE-AGIUHOORSA-N 2 0 267.373 -0.252 20 0 CBADRP C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC000908205306 656671259 /nfs/dbraw/zinc/67/12/59/656671259.db2.gz NLMJLKQMVJKQAL-UKRRQHHQSA-N 2 0 299.415 -0.594 20 0 CBADRP CN1CC[N@H+](C)CC(C(=O)N2C[C@@H]3C[NH+](C)CC[C@@H]3C2)C1 ZINC000908289604 656688824 /nfs/dbraw/zinc/68/88/24/656688824.db2.gz LGISKYHKQIYVGZ-KGLIPLIRSA-N 2 0 294.443 -0.110 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001000191605 656701052 /nfs/dbraw/zinc/70/10/52/656701052.db2.gz JXPBTDSJUSMWFM-RYUDHWBXSA-N 2 0 282.388 -0.463 20 0 CBADRP C[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)C[NH+](C)C ZINC000908345622 656708471 /nfs/dbraw/zinc/70/84/71/656708471.db2.gz JMVLCAAHGJJIEO-NQBHXWOUSA-N 2 0 257.378 -0.245 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001000703008 656759240 /nfs/dbraw/zinc/75/92/40/656759240.db2.gz SVAGAEUNBZCGQF-NWDGAFQWSA-N 2 0 294.399 -0.463 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001000917764 656773709 /nfs/dbraw/zinc/77/37/09/656773709.db2.gz MHPROOIBWHSXPB-MNOVXSKESA-N 2 0 268.361 -0.996 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001000917768 656774564 /nfs/dbraw/zinc/77/45/64/656774564.db2.gz MHPROOIBWHSXPB-QWRGUYRKSA-N 2 0 268.361 -0.996 20 0 CBADRP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC001000931013 656775458 /nfs/dbraw/zinc/77/54/58/656775458.db2.gz ANTXSOVLXBZEQZ-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)C[C@H]21 ZINC000909146149 656784865 /nfs/dbraw/zinc/78/48/65/656784865.db2.gz OOADWPXKVBDQAA-JLDUMIBSSA-N 2 0 267.373 -0.540 20 0 CBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001001007438 656785766 /nfs/dbraw/zinc/78/57/66/656785766.db2.gz KMYIJFGCAWWGRX-OLZOCXBDSA-N 2 0 296.415 -0.073 20 0 CBADRP C[C@@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001001262119 656805634 /nfs/dbraw/zinc/80/56/34/656805634.db2.gz BMIFDBSHAIUPON-AAEUAGOBSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NCC2=CC[NH+](CCO)CC2)C1 ZINC001001450720 656811506 /nfs/dbraw/zinc/81/15/06/656811506.db2.gz NHRYRTRBUXKLHD-ZDUSSCGKSA-N 2 0 267.373 -0.321 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2=CC[NH+](CCO)CC2)C1 ZINC001001450714 656811965 /nfs/dbraw/zinc/81/19/65/656811965.db2.gz NHRYRTRBUXKLHD-CYBMUJFWSA-N 2 0 267.373 -0.321 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001001539869 656813195 /nfs/dbraw/zinc/81/31/95/656813195.db2.gz WKUFVYHDPPRJDG-ZDUSSCGKSA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC001002127598 656826596 /nfs/dbraw/zinc/82/65/96/656826596.db2.gz TWNIZKFZAWGTEF-CYBMUJFWSA-N 2 0 269.389 -0.241 20 0 CBADRP CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001002476092 656834999 /nfs/dbraw/zinc/83/49/99/656834999.db2.gz PPARLLIWVNOIQO-WCQYABFASA-N 2 0 296.415 -0.204 20 0 CBADRP CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001002475152 656835743 /nfs/dbraw/zinc/83/57/43/656835743.db2.gz KSDBALGJFUCDAV-OLZOCXBDSA-N 2 0 296.415 -0.075 20 0 CBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CCO)CC1 ZINC001003636858 656865796 /nfs/dbraw/zinc/86/57/96/656865796.db2.gz XNWWQBPDEZFVPP-YPMHNXCESA-N 2 0 269.389 -0.243 20 0 CBADRP CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001004147867 656881423 /nfs/dbraw/zinc/88/14/23/656881423.db2.gz MOCNSEOZLNUZNA-LBPRGKRZSA-N 2 0 296.415 -0.203 20 0 CBADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001004146904 656881443 /nfs/dbraw/zinc/88/14/43/656881443.db2.gz BPXWEEHPRFABJE-NSHDSACASA-N 2 0 255.362 -0.489 20 0 CBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CCN(CC(N)=O)CC1 ZINC001004207720 656882651 /nfs/dbraw/zinc/88/26/51/656882651.db2.gz IREYKEIPGQAQPP-CYBMUJFWSA-N 2 0 296.415 -0.073 20 0 CBADRP C[NH+](C)C1(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000910930282 656902754 /nfs/dbraw/zinc/90/27/54/656902754.db2.gz IEHCIJBFJFMJRM-ZYHUDNBSSA-N 2 0 255.362 -0.348 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000910958776 656911697 /nfs/dbraw/zinc/91/16/97/656911697.db2.gz PIOURESCXHDJAX-ABAIWWIYSA-N 2 0 294.399 -0.463 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000910957213 656912340 /nfs/dbraw/zinc/91/23/40/656912340.db2.gz JEQDJMXRNURGFI-JTQLQIEISA-N 2 0 268.361 -0.854 20 0 CBADRP C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000910957505 656912413 /nfs/dbraw/zinc/91/24/13/656912413.db2.gz KXKCGHXZRXDEMO-LLVKDONJSA-N 2 0 282.388 -0.689 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000910974847 656916479 /nfs/dbraw/zinc/91/64/79/656916479.db2.gz AIBVAGZZLMMVKT-FRRDWIJNSA-N 2 0 298.431 -0.114 20 0 CBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000910976315 656918796 /nfs/dbraw/zinc/91/87/96/656918796.db2.gz HTYJRFABONESHL-FVCCEPFGSA-N 2 0 296.415 -0.158 20 0 CBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000910979008 656920610 /nfs/dbraw/zinc/92/06/10/656920610.db2.gz SYEXZFIMOJWQGC-GRYCIOLGSA-N 2 0 284.404 -0.443 20 0 CBADRP CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911004943 656927110 /nfs/dbraw/zinc/92/71/10/656927110.db2.gz VLWHHVAYXKTOKZ-DGCLKSJQSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC[N@@H+]1C ZINC000911006169 656929067 /nfs/dbraw/zinc/92/90/67/656929067.db2.gz DJFKKEPOVFSACI-GRYCIOLGSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000911016238 656930961 /nfs/dbraw/zinc/93/09/61/656930961.db2.gz XJGQNWIQGXFKGA-JHJVBQTASA-N 2 0 296.415 -0.441 20 0 CBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000911015926 656931092 /nfs/dbraw/zinc/93/10/92/656931092.db2.gz SXAIAIKGMGTBRQ-STQMWFEESA-N 2 0 296.415 -0.216 20 0 CBADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2)C1CC1 ZINC000911059399 656937841 /nfs/dbraw/zinc/93/78/41/656937841.db2.gz GRGHTSZKRXMVED-OAHLLOKOSA-N 2 0 294.399 -0.449 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1C[NH3+] ZINC000911071994 656939070 /nfs/dbraw/zinc/93/90/70/656939070.db2.gz FNSLBQUWBPSWBG-IJLUTSLNSA-N 2 0 294.399 -0.608 20 0 CBADRP C[NH2+]CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)C(C)C ZINC000911071576 656939201 /nfs/dbraw/zinc/93/92/01/656939201.db2.gz AJUWWWISTRUWBD-GFCCVEGCSA-N 2 0 286.420 -0.101 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000911073167 656940255 /nfs/dbraw/zinc/94/02/55/656940255.db2.gz QQEAEHHFFGDHRC-GRYCIOLGSA-N 2 0 294.399 -0.689 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000911073813 656940397 /nfs/dbraw/zinc/94/03/97/656940397.db2.gz WLVYBFUMIWTTLP-GHMZBOCLSA-N 2 0 284.404 -0.362 20 0 CBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911073821 656940427 /nfs/dbraw/zinc/94/04/27/656940427.db2.gz WLZQNANXTFQBIL-IUODEOHRSA-N 2 0 296.415 -0.203 20 0 CBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911073480 656941029 /nfs/dbraw/zinc/94/10/29/656941029.db2.gz SKSXHHRNSSMCNL-WHOHXGKFSA-N 2 0 282.388 -0.548 20 0 CBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000911073489 656941177 /nfs/dbraw/zinc/94/11/77/656941177.db2.gz SSZQFRYQJDZCSF-CMPLNLGQSA-N 2 0 294.399 -0.547 20 0 CBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911079813 656942894 /nfs/dbraw/zinc/94/28/94/656942894.db2.gz PSQVBRDJDZLPHU-MNOVXSKESA-N 2 0 282.388 -0.417 20 0 CBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911138563 656960708 /nfs/dbraw/zinc/96/07/08/656960708.db2.gz SIMHMUZRQNGHIS-YNEHKIRRSA-N 2 0 296.415 -0.156 20 0 CBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])CC2)C[N@@H+]1C1CC1 ZINC000911148029 656964070 /nfs/dbraw/zinc/96/40/70/656964070.db2.gz UMOLXSOHIPOOIP-NXEZZACHSA-N 2 0 280.372 -0.665 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911160313 656966764 /nfs/dbraw/zinc/96/67/64/656966764.db2.gz AZJQPVRYPOCWLD-JHJVBQTASA-N 2 0 296.415 -0.170 20 0 CBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911161204 656967103 /nfs/dbraw/zinc/96/71/03/656967103.db2.gz IPVDIDIKNRDLRE-JHJVBQTASA-N 2 0 296.415 -0.299 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000911162115 656968039 /nfs/dbraw/zinc/96/80/39/656968039.db2.gz OYMKWLUCRJDYNO-YNEHKIRRSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911163789 656968498 /nfs/dbraw/zinc/96/84/98/656968498.db2.gz YPYWASCEGKUHDH-NSHDSACASA-N 2 0 282.388 -0.416 20 0 CBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)C1CC1 ZINC000911185959 656975553 /nfs/dbraw/zinc/97/55/53/656975553.db2.gz DHNMJDUKTKOTNO-LBPRGKRZSA-N 2 0 296.415 -0.216 20 0 CBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)[N@H+](C)C1CC1 ZINC000911206658 656984708 /nfs/dbraw/zinc/98/47/08/656984708.db2.gz RVUAOJDPJNVUFJ-JQWIXIFHSA-N 2 0 296.415 -0.301 20 0 CBADRP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CC1)[N@H+](C)C1CC1 ZINC000911206183 656985527 /nfs/dbraw/zinc/98/55/27/656985527.db2.gz QAKFBMQLOBQNLL-VIFPVBQESA-N 2 0 268.361 -0.807 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)[N@H+](C)C1CC1 ZINC000911206659 656985590 /nfs/dbraw/zinc/98/55/90/656985590.db2.gz RVUAOJDPJNVUFJ-PWSUYJOCSA-N 2 0 296.415 -0.301 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000911215450 656987886 /nfs/dbraw/zinc/98/78/86/656987886.db2.gz QGDKIQOFWKWVSW-RYUDHWBXSA-N 2 0 294.399 -0.463 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H]1[NH3+] ZINC000911214501 656987974 /nfs/dbraw/zinc/98/79/74/656987974.db2.gz GHDQRLWEJVQWBG-YVECIDJPSA-N 2 0 294.399 -0.465 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000911216400 656989049 /nfs/dbraw/zinc/98/90/49/656989049.db2.gz ZEPCKTLSXYYQET-NTZNESFSSA-N 2 0 294.399 -0.689 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000911236027 656993896 /nfs/dbraw/zinc/99/38/96/656993896.db2.gz LHEPEIQHBWZNSW-DGCLKSJQSA-N 2 0 296.415 -0.299 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911244558 656996710 /nfs/dbraw/zinc/99/67/10/656996710.db2.gz PPUJDNNQOUYMFF-GRYCIOLGSA-N 2 0 282.388 -0.547 20 0 CBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911245281 656997226 /nfs/dbraw/zinc/99/72/26/656997226.db2.gz YOQGCCAEDDQAHY-NEPJUHHUSA-N 2 0 284.404 -0.584 20 0 CBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911256316 656999844 /nfs/dbraw/zinc/99/98/44/656999844.db2.gz RQULSSCRIDSGLJ-HAQNSBGRSA-N 2 0 284.404 -0.312 20 0 CBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000911270059 657004226 /nfs/dbraw/zinc/00/42/26/657004226.db2.gz RHXGJTLHZQTEBS-XQQFMLRXSA-N 2 0 294.399 -0.321 20 0 CBADRP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)C[NH+]1CCCC1 ZINC000911269742 657004387 /nfs/dbraw/zinc/00/43/87/657004387.db2.gz OWEDBNDVQRYNDO-JHJVBQTASA-N 2 0 296.415 -0.312 20 0 CBADRP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000911269700 657004525 /nfs/dbraw/zinc/00/45/25/657004525.db2.gz OGPBBRPKFPIKJK-QWRGUYRKSA-N 2 0 280.372 -0.663 20 0 CBADRP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CC1)C[NH+]1CCCC1 ZINC000911269868 657004730 /nfs/dbraw/zinc/00/47/30/657004730.db2.gz PHWAVFILDOJKFK-LLVKDONJSA-N 2 0 282.388 -0.558 20 0 CBADRP CC[NH2+]CCCNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911270199 657005708 /nfs/dbraw/zinc/00/57/08/657005708.db2.gz IRLBPVTWAWLHCQ-SWLSCSKDSA-N 2 0 296.415 -0.488 20 0 CBADRP O=C(N[C@H]1CCC[N@@H+](CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001007349246 657006867 /nfs/dbraw/zinc/00/68/67/657006867.db2.gz MFMVPHVINZRKPC-KBPBESRZSA-N 2 0 281.400 -0.099 20 0 CBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911307384 657017617 /nfs/dbraw/zinc/01/76/17/657017617.db2.gz WBNRIFGGGQXYBK-TYNCELHUSA-N 2 0 296.415 -0.489 20 0 CBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911313051 657018543 /nfs/dbraw/zinc/01/85/43/657018543.db2.gz PRJRXSADAYMKSC-CHWSQXEVSA-N 2 0 298.431 -0.195 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911336754 657022794 /nfs/dbraw/zinc/02/27/94/657022794.db2.gz MTJMPXGYUHQMKD-GRYCIOLGSA-N 2 0 282.388 -0.689 20 0 CBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000911336808 657022990 /nfs/dbraw/zinc/02/29/90/657022990.db2.gz NVQJXNYLAWCCCC-OLZOCXBDSA-N 2 0 296.415 -0.216 20 0 CBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911337645 657023072 /nfs/dbraw/zinc/02/30/72/657023072.db2.gz UGGCESBURKPTND-FRRDWIJNSA-N 2 0 296.415 -0.441 20 0 CBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911348013 657024984 /nfs/dbraw/zinc/02/49/84/657024984.db2.gz HAWSVOSEOWEWPV-UUIJZJDISA-N 2 0 294.399 -0.737 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000911365167 657027989 /nfs/dbraw/zinc/02/79/89/657027989.db2.gz CANPTHFIWRRIOM-GRYCIOLGSA-N 2 0 296.415 -0.301 20 0 CBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911370107 657028927 /nfs/dbraw/zinc/02/89/27/657028927.db2.gz PAFIRQTVANDNIK-GRYCIOLGSA-N 2 0 282.388 -0.689 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000911368166 657029316 /nfs/dbraw/zinc/02/93/16/657029316.db2.gz XVNIYALEOROEAO-VXGBXAGGSA-N 2 0 296.415 -0.347 20 0 CBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000911374453 657030968 /nfs/dbraw/zinc/03/09/68/657030968.db2.gz JETYDADBIDMMPF-GHMZBOCLSA-N 2 0 270.377 -0.879 20 0 CBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000911489511 657055251 /nfs/dbraw/zinc/05/52/51/657055251.db2.gz OGXQGTZGXOHKMD-AGIUHOORSA-N 2 0 296.415 -0.217 20 0 CBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000911488089 657055476 /nfs/dbraw/zinc/05/54/76/657055476.db2.gz HUWJPFNOMTWZKQ-GRYCIOLGSA-N 2 0 282.388 -0.560 20 0 CBADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911502734 657057742 /nfs/dbraw/zinc/05/77/42/657057742.db2.gz HWWSRSSFMYYSNR-NSHDSACASA-N 2 0 296.415 -0.217 20 0 CBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911503246 657057796 /nfs/dbraw/zinc/05/77/96/657057796.db2.gz NKILNMRGMGSDQI-NSHDSACASA-N 2 0 282.388 -0.417 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911521387 657066109 /nfs/dbraw/zinc/06/61/09/657066109.db2.gz NQULIWNLXJZKIW-GFCCVEGCSA-N 2 0 298.431 -0.101 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000911528772 657068735 /nfs/dbraw/zinc/06/87/35/657068735.db2.gz RJZWAQMRSHSLBG-WDEREUQCSA-N 2 0 282.388 -0.689 20 0 CBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](CCO)C2)C1 ZINC001009197189 657068794 /nfs/dbraw/zinc/06/87/94/657068794.db2.gz BGMZYZFPLSDBEM-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911550433 657075410 /nfs/dbraw/zinc/07/54/10/657075410.db2.gz BHQXFIPIWGIZPQ-KGYLQXTDSA-N 2 0 294.399 -0.452 20 0 CBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911560672 657078202 /nfs/dbraw/zinc/07/82/02/657078202.db2.gz QTFVNOKDQXPGSC-HAQNSBGRSA-N 2 0 284.404 -0.362 20 0 CBADRP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001009535923 657079011 /nfs/dbraw/zinc/07/90/11/657079011.db2.gz HWDJOKLJRJCDAZ-LBPRGKRZSA-N 2 0 255.362 -0.345 20 0 CBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911562363 657079200 /nfs/dbraw/zinc/07/92/00/657079200.db2.gz ACTYBBAMQSBVBJ-DCAQKATOSA-N 2 0 268.361 -0.950 20 0 CBADRP O=C([C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC000911647103 657095138 /nfs/dbraw/zinc/09/51/38/657095138.db2.gz PECCUJVRCHNQCO-JHJVBQTASA-N 2 0 267.373 -0.035 20 0 CBADRP C[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000911656637 657096932 /nfs/dbraw/zinc/09/69/32/657096932.db2.gz OKQMEDLKDYOGNP-LLVKDONJSA-N 2 0 255.362 -0.083 20 0 CBADRP C[NH+]1CCC(OCC(=O)N2CCC[NH2+]CC2)CC1 ZINC000911656820 657098167 /nfs/dbraw/zinc/09/81/67/657098167.db2.gz VOENZZBFZIFFKC-UHFFFAOYSA-N 2 0 255.362 -0.081 20 0 CBADRP [NH3+]CCN1CCC[C@@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1=O ZINC000911672704 657101261 /nfs/dbraw/zinc/10/12/61/657101261.db2.gz HDBUWXPYNYFUGL-MNOVXSKESA-N 2 0 268.361 -0.948 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911674809 657101943 /nfs/dbraw/zinc/10/19/43/657101943.db2.gz WTGNJIZKSVOMPH-ZYHUDNBSSA-N 2 0 270.377 -0.656 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)N[C@@H]2CCC[NH2+]C2)CCOCC1 ZINC000911674848 657101985 /nfs/dbraw/zinc/10/19/85/657101985.db2.gz XXUNJCNGGJNAQV-GHMZBOCLSA-N 2 0 255.362 -0.001 20 0 CBADRP C[C@H]([NH3+])C1(C(=O)N[C@@H]2CCC[NH2+]C2)CCOCC1 ZINC000911674851 657102084 /nfs/dbraw/zinc/10/20/84/657102084.db2.gz XXUNJCNGGJNAQV-WDEREUQCSA-N 2 0 255.362 -0.001 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N(C)C1CC[NH2+]CC1 ZINC000911692241 657102540 /nfs/dbraw/zinc/10/25/40/657102540.db2.gz NSVMTGUCZHUVMJ-CYBMUJFWSA-N 2 0 284.404 -0.314 20 0 CBADRP CC[NH2+]CCCNC(=O)c1cnn2cc(CC[NH3+])cnc12 ZINC000911684713 657103630 /nfs/dbraw/zinc/10/36/30/657103630.db2.gz HINNGPKGZRLHRI-UHFFFAOYSA-N 2 0 290.371 -0.040 20 0 CBADRP O=C(N[C@@H]1CC[NH2+]C1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000911696164 657105930 /nfs/dbraw/zinc/10/59/30/657105930.db2.gz RRCXSDQHXPARDK-BXKDBHETSA-N 2 0 252.318 -0.637 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]C1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911707355 657110110 /nfs/dbraw/zinc/11/01/10/657110110.db2.gz MVNUROVSIGFZDK-SCRDCRAPSA-N 2 0 267.373 -0.272 20 0 CBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911702878 657110546 /nfs/dbraw/zinc/11/05/46/657110546.db2.gz RGXOTSIIOSJJMR-GFCCVEGCSA-N 2 0 282.388 -0.593 20 0 CBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000911703301 657110840 /nfs/dbraw/zinc/11/08/40/657110840.db2.gz WWOXMXXVCFKVDU-AGIUHOORSA-N 2 0 294.399 -0.748 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CC[NH2+]C[C@H]1C ZINC000911718402 657113259 /nfs/dbraw/zinc/11/32/59/657113259.db2.gz AJXQGTDGBDLJOG-ZYHUDNBSSA-N 2 0 270.377 -0.704 20 0 CBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[NH2+]C[C@@H]1C ZINC000911718398 657113430 /nfs/dbraw/zinc/11/34/30/657113430.db2.gz AJXQGTDGBDLJOG-JQWIXIFHSA-N 2 0 270.377 -0.704 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CCCC[C@H]2C[NH3+])C1=O ZINC000911722635 657115560 /nfs/dbraw/zinc/11/55/60/657115560.db2.gz UMHAYCFEZXQAEJ-RYUDHWBXSA-N 2 0 282.388 -0.477 20 0 CBADRP [NH3+][C@H]1CCN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)C1 ZINC000911730926 657116859 /nfs/dbraw/zinc/11/68/59/657116859.db2.gz QUTAHSPPMDVCSG-VIFPVBQESA-N 2 0 252.318 -0.556 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911729128 657117874 /nfs/dbraw/zinc/11/78/74/657117874.db2.gz AXRHHWGYNSPHMH-YVECIDJPSA-N 2 0 294.399 -0.560 20 0 CBADRP CC[NH2+]CCNC(=O)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000911750690 657121255 /nfs/dbraw/zinc/12/12/55/657121255.db2.gz PGCFIBVKSZEFLP-NSHDSACASA-N 2 0 258.366 -0.798 20 0 CBADRP O=C(NC[C@H]1CCC[NH2+]1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911754439 657121832 /nfs/dbraw/zinc/12/18/32/657121832.db2.gz LNJQEXHYZQBJOE-WZRBSPASSA-N 2 0 253.346 -0.519 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)NC[C@@H]2CCC[NH2+]2)CCOCC1 ZINC000911753771 657122162 /nfs/dbraw/zinc/12/21/62/657122162.db2.gz GZRQSGAZVMMAQZ-MNOVXSKESA-N 2 0 255.362 -0.001 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)NCC[C@@H]2CC[NH2+]C2)C1=O ZINC000911767992 657124052 /nfs/dbraw/zinc/12/40/52/657124052.db2.gz NUIZVASTKNJFHC-NWDGAFQWSA-N 2 0 282.388 -0.701 20 0 CBADRP C[C@]1(C(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@@H](O)C[NH2+]1 ZINC000911762884 657124610 /nfs/dbraw/zinc/12/46/10/657124610.db2.gz FOHZIPPBWZEEPQ-YRGRVCCFSA-N 2 0 263.341 -0.085 20 0 CBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC000911774832 657125677 /nfs/dbraw/zinc/12/56/77/657125677.db2.gz KMJKLZUPXPHKKI-CYBMUJFWSA-N 2 0 296.415 -0.881 20 0 CBADRP O=C(NCC[C@H]1CC[NH2+]C1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911774005 657126014 /nfs/dbraw/zinc/12/60/14/657126014.db2.gz FJIVBRFIZPCTBJ-BZPMIXESSA-N 2 0 267.373 -0.272 20 0 CBADRP C[NH2+]CC1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC000911778709 657126982 /nfs/dbraw/zinc/12/69/82/657126982.db2.gz SYULNRKHWRRJTI-ZDUSSCGKSA-N 2 0 296.415 -0.358 20 0 CBADRP CN(C(=O)[C@@H]1CCCN(CC[NH3+])C1=O)[C@H]1CC[NH2+]C1 ZINC000911788101 657130235 /nfs/dbraw/zinc/13/02/35/657130235.db2.gz OEFQNFSEGCJTDY-QWRGUYRKSA-N 2 0 268.361 -0.996 20 0 CBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000911796274 657131216 /nfs/dbraw/zinc/13/12/16/657131216.db2.gz NGIOJIANHJYCRB-NTZNESFSSA-N 2 0 284.404 -0.315 20 0 CBADRP C[C@H](C[NH3+])N(C)C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC000911809359 657136698 /nfs/dbraw/zinc/13/66/98/657136698.db2.gz GERFGYMZDOBBLX-SECBINFHSA-N 2 0 254.334 -0.310 20 0 CBADRP C[C@@H]([NH3+])C1(C(=O)N2CC[NH2+][C@H](C)C2)CCOCC1 ZINC000911810097 657136921 /nfs/dbraw/zinc/13/69/21/657136921.db2.gz LWLWHMJGBDSXDT-GHMZBOCLSA-N 2 0 255.362 -0.049 20 0 CBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC[NH2+]1 ZINC000911809094 657137033 /nfs/dbraw/zinc/13/70/33/657137033.db2.gz IMURZJGAHFTYSV-WZRBSPASSA-N 2 0 253.346 -0.567 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000911819759 657139877 /nfs/dbraw/zinc/13/98/77/657139877.db2.gz PZNLRPRJHCPMIB-QWHCGFSZSA-N 2 0 268.405 -0.086 20 0 CBADRP [NH3+]C[C@@H](NC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2)C1CC1 ZINC000911833997 657143022 /nfs/dbraw/zinc/14/30/22/657143022.db2.gz OCVRSZNCZMPDAK-YPMHNXCESA-N 2 0 266.345 -0.262 20 0 CBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000911842480 657144848 /nfs/dbraw/zinc/14/48/48/657144848.db2.gz XVVNIMOTYIXFEL-CQSZACIVSA-N 2 0 280.416 -0.119 20 0 CBADRP C[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](O)C[NH2+]1 ZINC000911853294 657146896 /nfs/dbraw/zinc/14/68/96/657146896.db2.gz ZTCCDPSRBJFSTM-BLFANLJRSA-N 2 0 253.346 -0.548 20 0 CBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911851369 657146942 /nfs/dbraw/zinc/14/69/42/657146942.db2.gz GSTBZNDMLZCLSF-WOPDTQHZSA-N 2 0 252.362 -0.757 20 0 CBADRP C[NH2+]C[C@H]1CCCN1C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000911864879 657148491 /nfs/dbraw/zinc/14/84/91/657148491.db2.gz TZKYSPASDGBUHV-YPMHNXCESA-N 2 0 255.362 -0.299 20 0 CBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911864878 657148917 /nfs/dbraw/zinc/14/89/17/657148917.db2.gz TZKYSPASDGBUHV-WCQYABFASA-N 2 0 255.362 -0.299 20 0 CBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1=O ZINC000911855890 657149464 /nfs/dbraw/zinc/14/94/64/657149464.db2.gz JPUUBIIHXBCHTG-AGIUHOORSA-N 2 0 294.399 -0.463 20 0 CBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC000911871059 657149868 /nfs/dbraw/zinc/14/98/68/657149868.db2.gz QWXFHUFUIVAKKN-WZRBSPASSA-N 2 0 257.378 -0.069 20 0 CBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1C[NH2+]CCN1C ZINC000911870774 657150166 /nfs/dbraw/zinc/15/01/66/657150166.db2.gz OUORNGLNSGYQQL-NWDGAFQWSA-N 2 0 256.394 -0.278 20 0 CBADRP CSCC[C@H]([NH3+])CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000911877697 657151778 /nfs/dbraw/zinc/15/17/78/657151778.db2.gz CFFIPQXLFQYFAO-QWRGUYRKSA-N 2 0 274.434 -0.442 20 0 CBADRP CSCC[C@@H]([NH3+])C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911875766 657152673 /nfs/dbraw/zinc/15/26/73/657152673.db2.gz SSENXUZGPYNHIB-NXEZZACHSA-N 2 0 260.407 -0.832 20 0 CBADRP CN1CCN(C(=O)C2=CCC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000911879769 657154724 /nfs/dbraw/zinc/15/47/24/657154724.db2.gz PKDKYELMAXYFHD-LBPRGKRZSA-N 2 0 252.362 -0.603 20 0 CBADRP CN1CCN(C(=O)c2ccc3c(n2)C[NH2+]CC3)[C@H](C[NH3+])C1 ZINC000911881039 657155454 /nfs/dbraw/zinc/15/54/54/657155454.db2.gz YXPFUNQDRPVERM-GFCCVEGCSA-N 2 0 289.383 -0.558 20 0 CBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)CCO1 ZINC000911883253 657156418 /nfs/dbraw/zinc/15/64/18/657156418.db2.gz XVVFYMQPQUUSLW-SUHUHFCYSA-N 2 0 296.371 -0.541 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCO)C1 ZINC001010383339 657171406 /nfs/dbraw/zinc/17/14/06/657171406.db2.gz UUUVNYMQOCRMBZ-RYUDHWBXSA-N 2 0 255.362 -0.347 20 0 CBADRP CN(CC[N@H+](C)CCO)C(=O)C[NH+](C)[C@H]1CCSC1 ZINC000912607136 657296875 /nfs/dbraw/zinc/29/68/75/657296875.db2.gz BVWCWTADCVRSPK-LBPRGKRZSA-N 2 0 289.445 -0.194 20 0 CBADRP O=C(N[C@H]1CC[N@@H+](CCCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001014457106 657361770 /nfs/dbraw/zinc/36/17/70/657361770.db2.gz OZCXYOGUPZHUTE-UONOGXRCSA-N 2 0 281.400 -0.099 20 0 CBADRP C[NH+](C)CC1(O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000913678979 657581835 /nfs/dbraw/zinc/58/18/35/657581835.db2.gz HCSATOAENXVKTK-UHFFFAOYSA-N 2 0 269.389 -0.003 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016004497 657630379 /nfs/dbraw/zinc/63/03/79/657630379.db2.gz XYOLBWXPZXXQMH-RYUDHWBXSA-N 2 0 267.373 -0.347 20 0 CBADRP COCC[N@H+](C)CCCNC(=O)NC[C@H]1CC[NH+]1C ZINC000914176848 657666191 /nfs/dbraw/zinc/66/61/91/657666191.db2.gz ROHBJUGOAYKQJS-GFCCVEGCSA-N 2 0 272.393 -0.042 20 0 CBADRP C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016252553 657671349 /nfs/dbraw/zinc/67/13/49/657671349.db2.gz TZBUZUSUCSABAQ-NWDGAFQWSA-N 2 0 255.362 -0.347 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001016543644 657718929 /nfs/dbraw/zinc/71/89/29/657718929.db2.gz PDVPHEXHVJIIQT-VXGBXAGGSA-N 2 0 294.399 -0.463 20 0 CBADRP COCC[N@H+](C)CCCNC(=S)NCC[NH+](C)C ZINC000915124098 657730004 /nfs/dbraw/zinc/73/00/04/657730004.db2.gz FQUHEFMCIUZOHO-UHFFFAOYSA-N 2 0 276.450 -0.020 20 0 CBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC23CC[NH+](CC(N)=O)CC3)C1 ZINC001016970068 657742623 /nfs/dbraw/zinc/74/26/23/657742623.db2.gz RMXUYOXTHYYQAC-NEPJUHHUSA-N 2 0 294.399 -0.606 20 0 CBADRP C[NH+](C)CC(=O)N1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000917051760 657798411 /nfs/dbraw/zinc/79/84/11/657798411.db2.gz JHZIHEMUATYXTR-CQSZACIVSA-N 2 0 298.431 -0.851 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001018634545 657830236 /nfs/dbraw/zinc/83/02/36/657830236.db2.gz JZGDZGMEZXULLK-STQMWFEESA-N 2 0 292.387 -0.437 20 0 CBADRP NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001018855257 657850570 /nfs/dbraw/zinc/85/05/70/657850570.db2.gz UBDHGHCWTNPYDU-RYUDHWBXSA-N 2 0 280.372 -0.996 20 0 CBADRP C[NH+](C)C1(C(=O)N2CC[C@H]([NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC001018963362 657856024 /nfs/dbraw/zinc/85/60/24/657856024.db2.gz LHACQOKTKXANIS-RYUDHWBXSA-N 2 0 294.399 -0.450 20 0 CBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@H](C)O)C1)[NH+](C)C ZINC001019032422 657858967 /nfs/dbraw/zinc/85/89/67/657858967.db2.gz WNZGOMIFFLKNMF-SDDRHHMPSA-N 2 0 257.378 -0.102 20 0 CBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019043642 657860308 /nfs/dbraw/zinc/86/03/08/657860308.db2.gz BSXFJCRUOXRNCZ-RYUDHWBXSA-N 2 0 255.362 -0.347 20 0 CBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019076256 657861419 /nfs/dbraw/zinc/86/14/19/657861419.db2.gz SMLKQORXJZNFIA-STQMWFEESA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001019241674 657875826 /nfs/dbraw/zinc/87/58/26/657875826.db2.gz TYDZYZJKZFYOFZ-GRYCIOLGSA-N 2 0 255.362 -0.348 20 0 CBADRP C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C)C[NH+]1CCN(C)CC1 ZINC000920453112 657876323 /nfs/dbraw/zinc/87/63/23/657876323.db2.gz XRFGZMUGOHJROK-UONOGXRCSA-N 2 0 297.447 -0.127 20 0 CBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC001019289089 657880504 /nfs/dbraw/zinc/88/05/04/657880504.db2.gz UERYVYAHHWAQDQ-CYDGBPFRSA-N 2 0 296.415 -0.219 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001019384213 657891027 /nfs/dbraw/zinc/89/10/27/657891027.db2.gz XDYBAMQRSBJMQL-RYUDHWBXSA-N 2 0 255.362 -0.489 20 0 CBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019380652 657891866 /nfs/dbraw/zinc/89/18/66/657891866.db2.gz IEAUDZSGOPOCLK-QWRGUYRKSA-N 2 0 268.361 -0.854 20 0 CBADRP O=C(N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001019659892 657926460 /nfs/dbraw/zinc/92/64/60/657926460.db2.gz QKAVQZHFWJLIMJ-RYUDHWBXSA-N 2 0 292.383 -0.839 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001019661241 657927745 /nfs/dbraw/zinc/92/77/45/657927745.db2.gz WJLKKRVGVPJQBZ-RYUDHWBXSA-N 2 0 267.373 -0.347 20 0 CBADRP O=C(C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)N1CCC1 ZINC001019774886 657939322 /nfs/dbraw/zinc/93/93/22/657939322.db2.gz MELKBZOOYMODPD-ZDUSSCGKSA-N 2 0 294.399 -0.495 20 0 CBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001020028791 657991885 /nfs/dbraw/zinc/99/18/85/657991885.db2.gz JSFFAWPJEJOWQB-JHJVBQTASA-N 2 0 292.387 -0.391 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)C(N)=O ZINC001020029080 657992411 /nfs/dbraw/zinc/99/24/11/657992411.db2.gz UCFOSCJQYJIXHC-DDHJBXDOSA-N 2 0 282.388 -0.419 20 0 CBADRP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001020161735 658018857 /nfs/dbraw/zinc/01/88/57/658018857.db2.gz NGSLLWPSQCSRHJ-DOERSZECSA-N 2 0 281.400 -0.054 20 0 CBADRP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001020162409 658022961 /nfs/dbraw/zinc/02/29/61/658022961.db2.gz FLTZPZQFCVCNPJ-AVGNSLFASA-N 2 0 267.373 -0.443 20 0 CBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020237987 658030052 /nfs/dbraw/zinc/03/00/52/658030052.db2.gz JWENYHUIZDJXBP-AVGNSLFASA-N 2 0 296.415 -0.314 20 0 CBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)C(N)=O ZINC001020302238 658035357 /nfs/dbraw/zinc/03/53/57/658035357.db2.gz IAOIWVBUCNDQOB-ZDEQEGDKSA-N 2 0 296.415 -0.029 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1)C(N)=O ZINC001020587856 658075333 /nfs/dbraw/zinc/07/53/33/658075333.db2.gz XIXZKVLBCXZPQZ-FDYHWXHSSA-N 2 0 296.415 -0.029 20 0 CBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001020589829 658075697 /nfs/dbraw/zinc/07/56/97/658075697.db2.gz DJMIOVXUAHXKJE-SRVKXCTJSA-N 2 0 255.362 -0.443 20 0 CBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)C(N)=O ZINC001020928876 658118316 /nfs/dbraw/zinc/11/83/16/658118316.db2.gz ONBONZNHHJROPQ-WRWGMCAJSA-N 2 0 282.388 -0.561 20 0 CBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001020935679 658120150 /nfs/dbraw/zinc/12/01/50/658120150.db2.gz JZFDKJQYFRSOCW-IJLUTSLNSA-N 2 0 294.399 -0.417 20 0 CBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1)C(N)=O ZINC001020985437 658126967 /nfs/dbraw/zinc/12/69/67/658126967.db2.gz CSBCOSLMXPPPGP-ASHKBJFXSA-N 2 0 294.399 -0.417 20 0 CBADRP CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1=O ZINC001021045294 658137701 /nfs/dbraw/zinc/13/77/01/658137701.db2.gz ZVURNLRDAYIRSJ-ZDEQEGDKSA-N 2 0 294.399 -0.594 20 0 CBADRP Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001021048425 658139669 /nfs/dbraw/zinc/13/96/69/658139669.db2.gz ZWGPICJHQJUIDR-SRVKXCTJSA-N 2 0 292.387 -0.496 20 0 CBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(N)=O ZINC001021211274 658159319 /nfs/dbraw/zinc/15/93/19/658159319.db2.gz UGVXJFONDFYTOO-WVMKXHBISA-N 2 0 294.399 -0.323 20 0 CBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923279854 658186605 /nfs/dbraw/zinc/18/66/05/658186605.db2.gz CKVXPPFFOCGNNK-CHWSQXEVSA-N 2 0 295.387 -0.969 20 0 CBADRP CCOC[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283955 658186885 /nfs/dbraw/zinc/18/68/85/658186885.db2.gz ZPNXPXOORKFDMM-ZIAGYGMSSA-N 2 0 299.415 -0.472 20 0 CBADRP CC[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283167 658189327 /nfs/dbraw/zinc/18/93/27/658189327.db2.gz SMGKUCSCUSAMGU-OLZOCXBDSA-N 2 0 269.389 -0.099 20 0 CBADRP CCOCC[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000923280432 658192078 /nfs/dbraw/zinc/19/20/78/658192078.db2.gz GIVFXTASJIWAHM-QWHCGFSZSA-N 2 0 287.404 -0.439 20 0 CBADRP C[C@H](O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283172 658192678 /nfs/dbraw/zinc/19/26/78/658192678.db2.gz SSWCJRIPADOFKI-RYUDHWBXSA-N 2 0 255.362 -0.489 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283774 658192770 /nfs/dbraw/zinc/19/27/70/658192770.db2.gz YDIGMANNUWMFFS-STQMWFEESA-N 2 0 285.388 -0.863 20 0 CBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923288133 658194239 /nfs/dbraw/zinc/19/42/39/658194239.db2.gz XQKFOGXHUNHPNI-ZDUSSCGKSA-N 3 0 268.405 -0.798 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000923287719 658195435 /nfs/dbraw/zinc/19/54/35/658195435.db2.gz FIAJSASBTKMSQH-WDEREUQCSA-N 2 0 268.361 -0.060 20 0 CBADRP CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303453 658198948 /nfs/dbraw/zinc/19/89/48/658198948.db2.gz NFOOXKWWDGYYJK-NEPJUHHUSA-N 2 0 267.373 -0.035 20 0 CBADRP CCNC(=O)C[N@H+](CC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923306913 658204288 /nfs/dbraw/zinc/20/42/88/658204288.db2.gz OHDLIYUHILTKRP-LLVKDONJSA-N 2 0 255.362 -0.177 20 0 CBADRP CNC(=O)[C@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923313210 658205529 /nfs/dbraw/zinc/20/55/29/658205529.db2.gz PXAZERLXYYUJCI-NWDGAFQWSA-N 2 0 267.373 -0.177 20 0 CBADRP CN1CC(=O)N(CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1=O ZINC000923331386 658215848 /nfs/dbraw/zinc/21/58/48/658215848.db2.gz GIAFYNZVGNJQEQ-QJPTWQEYSA-N 2 0 280.372 -0.060 20 0 CBADRP [NH3+]CC(C[NH3+])NCC(=O)NCc1cccc(Cl)c1 ZINC000923350581 658220415 /nfs/dbraw/zinc/22/04/15/658220415.db2.gz CTUCUVQPZNBNJX-UHFFFAOYSA-N 2 0 270.764 -0.168 20 0 CBADRP COC[C@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000923346906 658221894 /nfs/dbraw/zinc/22/18/94/658221894.db2.gz XNPQHCCHJNXAHZ-VXGBXAGGSA-N 2 0 273.377 -0.687 20 0 CBADRP COC[C@@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000923346905 658222910 /nfs/dbraw/zinc/22/29/10/658222910.db2.gz XNPQHCCHJNXAHZ-RYUDHWBXSA-N 2 0 273.377 -0.687 20 0 CBADRP [NH3+]CC(C[NH3+])N[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000923353422 658226532 /nfs/dbraw/zinc/22/65/32/658226532.db2.gz XHBYKSXXTJXXEL-ZDUSSCGKSA-N 2 0 262.357 -0.118 20 0 CBADRP [NH3+]CC(C[NH3+])N[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000923353421 658226761 /nfs/dbraw/zinc/22/67/61/658226761.db2.gz XHBYKSXXTJXXEL-CYBMUJFWSA-N 2 0 262.357 -0.118 20 0 CBADRP C[C@H](NC(C[NH3+])C[NH3+])C(=O)NCC1CCCCC1 ZINC000923353602 658227132 /nfs/dbraw/zinc/22/71/32/658227132.db2.gz YSFJVGJFRHNUTE-JTQLQIEISA-N 2 0 256.394 -0.053 20 0 CBADRP COC(=O)[C@@H](NC(C[NH3+])C[NH3+])c1cccc(OC)c1 ZINC000923358567 658229694 /nfs/dbraw/zinc/22/96/94/658229694.db2.gz CWOJRKOYJHVRIX-LBPRGKRZSA-N 2 0 267.329 -0.215 20 0 CBADRP Cc1ccc(OC[C@H](O)CNC(C[NH3+])C[NH3+])c(C)c1 ZINC000923355900 658230773 /nfs/dbraw/zinc/23/07/73/658230773.db2.gz FPQFWKZNXZROFT-CYBMUJFWSA-N 2 0 267.373 -0.081 20 0 CBADRP CSC[C@H](O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000923366237 658232199 /nfs/dbraw/zinc/23/21/99/658232199.db2.gz IGXNHQLJPPQGRO-VXGBXAGGSA-N 2 0 259.419 -0.310 20 0 CBADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923366874 658235728 /nfs/dbraw/zinc/23/57/28/658235728.db2.gz PNTLBARECPOOHL-LSDHHAIUSA-N 2 0 285.432 -0.001 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN[C@H]1CC[NH2+]CC1(C)C ZINC000923371057 658238508 /nfs/dbraw/zinc/23/85/08/658238508.db2.gz UTIJOLBFRUALEO-STQMWFEESA-N 2 0 273.421 -0.097 20 0 CBADRP CN(C)C(=O)NCC[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923373302 658239525 /nfs/dbraw/zinc/23/95/25/658239525.db2.gz MGDNZGXQUIMZIB-NSHDSACASA-N 2 0 270.377 -0.432 20 0 CBADRP CN1CC(=O)N(CC[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1=O ZINC000923386272 658250317 /nfs/dbraw/zinc/25/03/17/658250317.db2.gz JBHSILHQUFRJNL-FZMZJTMJSA-N 2 0 280.372 -0.059 20 0 CBADRP CN1CC(=O)N(CC[NH+]2CCC(CC[NH3+])CC2)C1=O ZINC000923387483 658250405 /nfs/dbraw/zinc/25/04/05/658250405.db2.gz OPYDHNCVEKRFLU-UHFFFAOYSA-N 2 0 268.361 -0.059 20 0 CBADRP CCO[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1C[NH3+] ZINC000923389863 658251332 /nfs/dbraw/zinc/25/13/32/658251332.db2.gz ZLICYZXQCYRNRW-FRRDWIJNSA-N 2 0 268.361 -0.460 20 0 CBADRP c1cn(C[C@@H]2CC[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C2)nn1 ZINC000923387599 658251903 /nfs/dbraw/zinc/25/19/03/658251903.db2.gz WWDXUVSJHMAPBA-CHWSQXEVSA-N 2 0 277.372 -0.022 20 0 CBADRP C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C[C@@H]1COCCO1 ZINC000923391750 658253120 /nfs/dbraw/zinc/25/31/20/658253120.db2.gz POYITMNTFPHIJB-NWDGAFQWSA-N 2 0 256.346 -0.288 20 0 CBADRP C[C@H](O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000923400638 658258672 /nfs/dbraw/zinc/25/86/72/658258672.db2.gz XLDYNMWPINXFSU-WCQGTBRESA-N 2 0 269.345 -0.376 20 0 CBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923400836 658261142 /nfs/dbraw/zinc/26/11/42/658261142.db2.gz FSTIRUVTSPJUHM-NEPJUHHUSA-N 2 0 267.373 -0.083 20 0 CBADRP OCC[NH2+][C@H]1CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000923409476 658264169 /nfs/dbraw/zinc/26/41/69/658264169.db2.gz RJSDTHGNLVMGFH-STQMWFEESA-N 2 0 269.389 -0.446 20 0 CBADRP CCOC[C@@H](O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413165 658269008 /nfs/dbraw/zinc/26/90/08/658269008.db2.gz DVOSFYXTXAXWDU-RVMXOQNASA-N 2 0 299.371 -0.749 20 0 CBADRP CCOC[C@H](O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413160 658271964 /nfs/dbraw/zinc/27/19/64/658271964.db2.gz DVOSFYXTXAXWDU-LOWDOPEQSA-N 2 0 299.371 -0.749 20 0 CBADRP O=C1NCC[C@@H]2CCC[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)[C@@H]12 ZINC000923426216 658274925 /nfs/dbraw/zinc/27/49/25/658274925.db2.gz LSJCVHPCCNSARE-YNEHKIRRSA-N 2 0 279.384 -0.035 20 0 CBADRP COC[C@@H](O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923442961 658283248 /nfs/dbraw/zinc/28/32/48/658283248.db2.gz RAPPSBXUXSCTSB-RYUDHWBXSA-N 2 0 258.362 -0.177 20 0 CBADRP COC[C@@H](O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923442959 658283362 /nfs/dbraw/zinc/28/33/62/658283362.db2.gz RAPPSBXUXSCTSB-NWDGAFQWSA-N 2 0 258.362 -0.177 20 0 CBADRP NC(=O)c1ccc(CCN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923460458 658291146 /nfs/dbraw/zinc/29/11/46/658291146.db2.gz OJAFXJUTWKOXOL-UHFFFAOYSA-N 2 0 276.384 -0.177 20 0 CBADRP CCn1cc(CCN2CC[NH2+]CC[NH2+]CC2)cn1 ZINC000923461403 658291917 /nfs/dbraw/zinc/29/19/17/658291917.db2.gz WKZJFRQLSLWMJI-UHFFFAOYSA-N 2 0 251.378 -0.060 20 0 CBADRP C[C@@H](c1nnnn1C1CC1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923460788 658292865 /nfs/dbraw/zinc/29/28/65/658292865.db2.gz VTZDEYZDLSQWTL-JTQLQIEISA-N 2 0 265.365 -0.436 20 0 CBADRP c1c(CN2CC[NH2+]CC[NH2+]CC2)nc2ncccn12 ZINC000923462952 658294123 /nfs/dbraw/zinc/29/41/23/658294123.db2.gz NCUBRZNSDKNIET-UHFFFAOYSA-N 2 0 260.345 -0.276 20 0 CBADRP Cc1cc(NC(=O)CCN2CC[NH2+]CC[NH2+]CC2)no1 ZINC000923463883 658296257 /nfs/dbraw/zinc/29/62/57/658296257.db2.gz XJGFBPSARDFCAG-UHFFFAOYSA-N 2 0 281.360 -0.194 20 0 CBADRP C(c1nnnn1C1CC1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923465238 658296484 /nfs/dbraw/zinc/29/64/84/658296484.db2.gz XUHJFHVDOXEZIF-UHFFFAOYSA-N 2 0 251.338 -0.997 20 0 CBADRP [NH3+][C@@]1(CO)CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000923475575 658300895 /nfs/dbraw/zinc/30/08/95/658300895.db2.gz YCNJTGZKMYEJCN-RYUDHWBXSA-N 2 0 255.362 -0.707 20 0 CBADRP CN1CC(=O)N(CC[N@@H+]2CC[C@@H](CC[NH3+])C2)C1=O ZINC000923479652 658302312 /nfs/dbraw/zinc/30/23/12/658302312.db2.gz RKPAXHOZAFTIDY-SNVBAGLBSA-N 2 0 254.334 -0.449 20 0 CBADRP CN1CCN(C(=O)CC[N@@H+]2CC[C@H](CC[NH3+])C2)CC1 ZINC000923481589 658303429 /nfs/dbraw/zinc/30/34/29/658303429.db2.gz RXVKTBJZCLAFIV-ZDUSSCGKSA-N 2 0 268.405 -0.179 20 0 CBADRP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](CC[NH3+])C2)C1 ZINC000923493126 658306571 /nfs/dbraw/zinc/30/65/71/658306571.db2.gz RIQXVMVFYLAAKY-ZIAGYGMSSA-N 2 0 296.415 -0.216 20 0 CBADRP CCS(=O)(=O)NCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495563 658307899 /nfs/dbraw/zinc/30/78/99/658307899.db2.gz CHXIGJRBVJXYLO-WDEREUQCSA-N 2 0 263.407 -0.158 20 0 CBADRP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)CC[C@H]1C[NH3+] ZINC000923502568 658310003 /nfs/dbraw/zinc/31/00/03/658310003.db2.gz BVZDGFFXRICLHJ-ZJUUUORDSA-N 2 0 268.361 -0.109 20 0 CBADRP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923514082 658311066 /nfs/dbraw/zinc/31/10/66/658311066.db2.gz NAOOVSVVWTUGME-YVECIDJPSA-N 2 0 296.415 -0.375 20 0 CBADRP COC[C@@H](C)OC[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515833 658311622 /nfs/dbraw/zinc/31/16/22/658311622.db2.gz NZXJDVSKTGEGLA-RQJABVFESA-N 2 0 272.389 -0.060 20 0 CBADRP COCC[N@H+](C)C[C@@H](O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516003 658313717 /nfs/dbraw/zinc/31/37/17/658313717.db2.gz QINKEVULVIWIOO-BFHYXJOUSA-N 2 0 271.405 -0.533 20 0 CBADRP C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923562113 658326912 /nfs/dbraw/zinc/32/69/12/658326912.db2.gz DIPKLXULNPWUPB-MNOVXSKESA-N 2 0 276.406 -0.662 20 0 CBADRP CC(C)C[C@H](C[NH3+])NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923568034 658330988 /nfs/dbraw/zinc/33/09/88/658330988.db2.gz DTTPQBBCDRATAB-SNVBAGLBSA-N 2 0 264.395 -0.901 20 0 CBADRP C[C@H](NS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000923568187 658332050 /nfs/dbraw/zinc/33/20/50/658332050.db2.gz WHQMNIZCDCEOHI-WDEREUQCSA-N 2 0 276.406 -0.886 20 0 CBADRP C[C@@H]([NH3+])c1ccc(CNS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000923573636 658336308 /nfs/dbraw/zinc/33/63/08/658336308.db2.gz OYHQNVSASQDRBN-LLVKDONJSA-N 2 0 298.412 -0.054 20 0 CBADRP CCCC[C@H](C[NH3+])NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923577719 658336461 /nfs/dbraw/zinc/33/64/61/658336461.db2.gz UDXWINDLTWCPGM-SNVBAGLBSA-N 2 0 264.395 -0.757 20 0 CBADRP C[C@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC000923573800 658337261 /nfs/dbraw/zinc/33/72/61/658337261.db2.gz RQTXLLUIDGXRJS-QWRGUYRKSA-N 2 0 276.406 -0.804 20 0 CBADRP C[C@@H]1CCC[N@H+](CCNS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923588969 658341683 /nfs/dbraw/zinc/34/16/83/658341683.db2.gz MQIMLBOSBKQVKK-GFCCVEGCSA-N 2 0 290.433 -0.542 20 0 CBADRP CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923609469 658349455 /nfs/dbraw/zinc/34/94/55/658349455.db2.gz BBHQLIZLTRNGPX-LBPRGKRZSA-N 2 0 288.417 -0.695 20 0 CBADRP CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923609465 658350809 /nfs/dbraw/zinc/35/08/09/658350809.db2.gz BBHQLIZLTRNGPX-GFCCVEGCSA-N 2 0 288.417 -0.695 20 0 CBADRP C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923634867 658366426 /nfs/dbraw/zinc/36/64/26/658366426.db2.gz GUXAQNVXIIAYOD-VXGBXAGGSA-N 2 0 290.433 -0.366 20 0 CBADRP [NH3+]C1CC2(C1)CC(NS(=O)(=O)[C@H]1CCC[NH2+]C1)C2 ZINC000923635458 658367150 /nfs/dbraw/zinc/36/71/50/658367150.db2.gz INFSNEULZUHBMJ-FYJQFVIDSA-N 2 0 273.402 -0.072 20 0 CBADRP C[NH2+][C@@H]1CCCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923635296 658367523 /nfs/dbraw/zinc/36/75/23/658367523.db2.gz FDGZGQLAWJGLEO-GHMZBOCLSA-N 2 0 261.391 -0.248 20 0 CBADRP C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923635388 658367584 /nfs/dbraw/zinc/36/75/84/658367584.db2.gz HDORNNGHBDHJNL-HBNTYKKESA-N 2 0 261.391 -0.263 20 0 CBADRP [NH3+]C[C@@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CCCO1 ZINC000923645908 658373009 /nfs/dbraw/zinc/37/30/09/658373009.db2.gz IIABBFBHHZMVIJ-MNOVXSKESA-N 2 0 277.390 -0.882 20 0 CBADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000923648027 658374708 /nfs/dbraw/zinc/37/47/08/658374708.db2.gz FFJSJIBIFVUATG-VXGBXAGGSA-N 2 0 273.402 -0.104 20 0 CBADRP [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)[C@H]1CCC[NH2+]C1)C2 ZINC000923659041 658382612 /nfs/dbraw/zinc/38/26/12/658382612.db2.gz KDYQVIMNAUKKLL-WOPDTQHZSA-N 2 0 273.402 -0.119 20 0 CBADRP CCN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923657250 658383025 /nfs/dbraw/zinc/38/30/25/658383025.db2.gz YIRGHWNMORGWQE-GFCCVEGCSA-N 2 0 290.433 -0.400 20 0 CBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)C1C[NH2+]C1)C2 ZINC000923662050 658384987 /nfs/dbraw/zinc/38/49/87/658384987.db2.gz AJJLUKTZJXVPRE-PHIMTYICSA-N 2 0 259.375 -0.781 20 0 CBADRP O=S(=O)(N[C@@]12CCC[C@H]1[NH2+]CC2)N1CC[NH2+]CC1 ZINC000923672670 658392887 /nfs/dbraw/zinc/39/28/87/658392887.db2.gz XCAYMADDOYGCOE-GHMZBOCLSA-N 2 0 274.390 -0.989 20 0 CBADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H](NS(=O)(=O)C2C[NH2+]C2)C1 ZINC000923740791 658432411 /nfs/dbraw/zinc/43/24/11/658432411.db2.gz NEXYYACZUFKEIR-XBXGTLAGSA-N 2 0 295.408 -0.063 20 0 CBADRP COCC[N@@H+]1CCC[C@@H]1CN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924576985 658614079 /nfs/dbraw/zinc/61/40/79/658614079.db2.gz CVENZYLKGYKUHK-NEPJUHHUSA-N 2 0 298.387 -0.421 20 0 CBADRP C[NH+](C)C[C@@H]1NC(=O)N(C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1=O ZINC000924561216 658614946 /nfs/dbraw/zinc/61/49/46/658614946.db2.gz SDSJIIFKHBMYOO-UTUOFQBUSA-N 2 0 296.371 -0.668 20 0 CBADRP O=C(NC[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958591005 658666736 /nfs/dbraw/zinc/66/67/36/658666736.db2.gz DYQAVZPXAVXBTA-ZIAGYGMSSA-N 2 0 293.411 -0.099 20 0 CBADRP C[C@@H](C[NH2+][C@H]1C(=O)NCC1(C)C)N1CC[NH+](C)CC1 ZINC000924962604 658673488 /nfs/dbraw/zinc/67/34/88/658673488.db2.gz UDRXWQYWIHNQFS-RYUDHWBXSA-N 2 0 268.405 -0.264 20 0 CBADRP C[C@H](C[NH2+][C@H]1C(=O)NCC1(C)C)CN1CC[NH+](C)CC1 ZINC000924948538 658674162 /nfs/dbraw/zinc/67/41/62/658674162.db2.gz HWEKUGHWYZIHIG-OLZOCXBDSA-N 2 0 282.432 -0.016 20 0 CBADRP C[N@@H+]1C[C@@H](O)C[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC000924980498 658687599 /nfs/dbraw/zinc/68/75/99/658687599.db2.gz GJTSSOZMVTUBFN-OLZOCXBDSA-N 2 0 269.389 -0.101 20 0 CBADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2C)cn1 ZINC000924981393 658687977 /nfs/dbraw/zinc/68/79/77/658687977.db2.gz NCZJAKMQTDNLQB-KBPBESRZSA-N 2 0 292.383 -0.062 20 0 CBADRP C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000924996203 658712755 /nfs/dbraw/zinc/71/27/55/658712755.db2.gz QDLASXDUSHIMNJ-CHWSQXEVSA-N 2 0 299.415 -0.474 20 0 CBADRP CC[N@@H+]1CC[C@H]1CN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000925098794 658806971 /nfs/dbraw/zinc/80/69/71/658806971.db2.gz VGCXNUMGXOULRB-UWVGGRQHSA-N 2 0 254.334 -0.437 20 0 CBADRP O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@H](C1CC1)[NH+]1CCCC1 ZINC000961358083 658818995 /nfs/dbraw/zinc/81/89/95/658818995.db2.gz MQHHMCKTUBNLCY-YJNKXOJESA-N 2 0 293.411 -0.101 20 0 CBADRP C[C@@H]1[C@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)CC[N@@H+]1C ZINC000925332156 658827937 /nfs/dbraw/zinc/82/79/37/658827937.db2.gz NJTJCBQGLZOGKU-WZRBSPASSA-N 2 0 270.377 -0.555 20 0 CBADRP C[C@H]1[C@@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000925341777 658830818 /nfs/dbraw/zinc/83/08/18/658830818.db2.gz JPFLLQRZCGKEOZ-RVMXOQNASA-N 2 0 282.388 -0.461 20 0 CBADRP C[NH+](C)C[C@H]1NC(=O)N(CC[N@@H+]2CCCOCC2)C1=O ZINC000925349812 658833469 /nfs/dbraw/zinc/83/34/69/658833469.db2.gz RHJKAFOUFQXUAT-LLVKDONJSA-N 2 0 284.360 -0.809 20 0 CBADRP CCC[N@@H+]1CC[C@@H](N2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000925359969 658835062 /nfs/dbraw/zinc/83/50/62/658835062.db2.gz SEKMPUDZZPJCPC-MNOVXSKESA-N 2 0 268.361 -0.047 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000925396599 658838661 /nfs/dbraw/zinc/83/86/61/658838661.db2.gz AQXHEQPWGUOBKR-OLZOCXBDSA-N 2 0 284.404 -0.164 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000925407352 658839612 /nfs/dbraw/zinc/83/96/12/658839612.db2.gz KIECZMMKXWENLO-LBPRGKRZSA-N 2 0 263.345 -0.081 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000925408053 658839979 /nfs/dbraw/zinc/83/99/79/658839979.db2.gz NXXDHTFCCVREIX-RDBSUJKOSA-N 2 0 296.415 -0.069 20 0 CBADRP C[N@@H+]1CC[C@@H]1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000925407351 658840039 /nfs/dbraw/zinc/84/00/39/658840039.db2.gz KIECZMMKXWENLO-GFCCVEGCSA-N 2 0 263.345 -0.081 20 0 CBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925410793 658840407 /nfs/dbraw/zinc/84/04/07/658840407.db2.gz UJFGZDGYYLHEQA-JQWIXIFHSA-N 2 0 258.366 -0.698 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000925424156 658845983 /nfs/dbraw/zinc/84/59/83/658845983.db2.gz KUPCNEAXACTCND-OLZOCXBDSA-N 2 0 284.404 -0.164 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000925424510 658847791 /nfs/dbraw/zinc/84/77/91/658847791.db2.gz MGCKHMRJDDZEHS-QWHCGFSZSA-N 2 0 284.404 -0.164 20 0 CBADRP C[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000925429633 658849947 /nfs/dbraw/zinc/84/99/47/658849947.db2.gz PAKGPLYFHYWQJY-WDEREUQCSA-N 2 0 256.350 -0.944 20 0 CBADRP CN(CCC[NH+](C)C)CCNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000925434834 658853789 /nfs/dbraw/zinc/85/37/89/658853789.db2.gz NOOJFYTZEMISIP-CYBMUJFWSA-N 2 0 285.436 -0.127 20 0 CBADRP C[C@H](CN[C@H]1C[NH2+]CCOC1)N1CC[NH+](C)CC1 ZINC000925496362 658857037 /nfs/dbraw/zinc/85/70/37/658857037.db2.gz QSBJAWDWVXICTJ-OLZOCXBDSA-N 2 0 256.394 -0.800 20 0 CBADRP NC(=O)[C@H]1CCC[N@H+](CCCN[C@H]2C[NH2+]CCOC2)C1 ZINC000925496663 658857216 /nfs/dbraw/zinc/85/72/16/658857216.db2.gz RTRKHFBGHYSCHF-STQMWFEESA-N 2 0 284.404 -0.848 20 0 CBADRP C[NH+](C)C1CCN(CCN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925531890 658857944 /nfs/dbraw/zinc/85/79/44/658857944.db2.gz SJUYVIHTNLUDTI-CYBMUJFWSA-N 2 0 270.421 -0.410 20 0 CBADRP CCO[C@@H](CC[NH+](C)C)CN[C@H]1C[NH2+]CCOC1 ZINC000925542848 658858151 /nfs/dbraw/zinc/85/81/51/658858151.db2.gz QSURWYMEJCJZDR-STQMWFEESA-N 2 0 259.394 -0.079 20 0 CBADRP C[C@@H](CN1CC[NH+](C)CC1)N[C@H]1C[NH2+]CCOC1 ZINC000925550284 658859981 /nfs/dbraw/zinc/85/99/81/658859981.db2.gz QIBNXNOJTDZDJJ-STQMWFEESA-N 2 0 256.394 -0.800 20 0 CBADRP O[C@@H](CN[C@H]1C[NH2+]CCOC1)C[NH+]1CCCCC1 ZINC000925613505 658862585 /nfs/dbraw/zinc/86/25/85/658862585.db2.gz RVDJWMQVKZEYFF-STQMWFEESA-N 2 0 257.378 -0.589 20 0 CBADRP [NH3+][C@@H]1C[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)C12CCC2 ZINC000925632926 658863358 /nfs/dbraw/zinc/86/33/58/658863358.db2.gz SJWBBJQILFQYET-MNOVXSKESA-N 2 0 263.345 -0.001 20 0 CBADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C1 ZINC000925694526 658865804 /nfs/dbraw/zinc/86/58/04/658865804.db2.gz UWNSWRLRFCDYGJ-RYUDHWBXSA-N 3 0 268.405 -0.086 20 0 CBADRP C(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)CN1CC[NH2+]CC1 ZINC000925689679 658866048 /nfs/dbraw/zinc/86/60/48/658866048.db2.gz HWXWQWVDTNDPGU-BTFPBAQTSA-N 3 0 264.417 -0.132 20 0 CBADRP [NH3+]Cc1cc(=O)[nH]c(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)n1 ZINC000925717293 658866696 /nfs/dbraw/zinc/86/66/96/658866696.db2.gz SFGGEKNUFOIAOO-FDEBYTSZSA-N 2 0 275.356 -0.273 20 0 CBADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]CCN1CC[C@@H](O)C1 ZINC000925717104 658866739 /nfs/dbraw/zinc/86/67/39/658866739.db2.gz IOBOTCMEOLLNSH-HTOAHKCRSA-N 2 0 269.389 -0.605 20 0 CBADRP c1cc(O[C@@H]2CC[NH2+]C2)cc(CN[C@H]2C[NH2+]CCOC2)n1 ZINC000925708542 658867056 /nfs/dbraw/zinc/86/70/56/658867056.db2.gz RJVLBKCNZQLMPM-DZGCQCFKSA-N 2 0 292.383 -0.100 20 0 CBADRP c1cc(N2CC[NH2+]CC2)cc(N[C@H]2C[NH2+]CCOC2)[nH+]1 ZINC000925725459 658869058 /nfs/dbraw/zinc/86/90/58/658869058.db2.gz LAQOUVUKRWKQEA-LBPRGKRZSA-N 3 0 277.372 -0.109 20 0 CBADRP C[C@@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)[C@H]1CC[NH2+]C1 ZINC000925776612 658870690 /nfs/dbraw/zinc/87/06/90/658870690.db2.gz YSJVKHCIDINVFL-MNOVXSKESA-N 2 0 275.418 -0.002 20 0 CBADRP C[C@@H](C[C@H]1COCCN1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816762 658872925 /nfs/dbraw/zinc/87/29/25/658872925.db2.gz IJOKRWOCBPRWBN-JSGCOSHPSA-N 2 0 270.421 -0.234 20 0 CBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926301121 658890620 /nfs/dbraw/zinc/89/06/20/658890620.db2.gz XVRDFKNSBNIZJY-QWHCGFSZSA-N 2 0 296.415 -0.536 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC2CC[NH+](C)CC2)C[C@H]1[NH3+] ZINC000926331059 658893043 /nfs/dbraw/zinc/89/30/43/658893043.db2.gz DSJNINDWWJQDIW-DGCLKSJQSA-N 2 0 296.415 -0.408 20 0 CBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)CC[C@H]1C[NH3+] ZINC000926330815 658893068 /nfs/dbraw/zinc/89/30/68/658893068.db2.gz OFGBLJBOLZDBAZ-AGIUHOORSA-N 2 0 296.415 -0.408 20 0 CBADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000926572404 658905334 /nfs/dbraw/zinc/90/53/34/658905334.db2.gz HRIZYCPLBXOUPO-DAAZQVBGSA-N 2 0 265.361 -0.431 20 0 CBADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000926650405 658910374 /nfs/dbraw/zinc/91/03/74/658910374.db2.gz NXYNGJUDAFMBSR-FXJUQPSGSA-N 2 0 287.429 -0.050 20 0 CBADRP CN1CCOC[C@@]1(CO)C[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000926890789 658917967 /nfs/dbraw/zinc/91/79/67/658917967.db2.gz DSRZMKGNYGUOOD-IXXDHKBRSA-N 2 0 283.416 -0.391 20 0 CBADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969403925 658986758 /nfs/dbraw/zinc/98/67/58/658986758.db2.gz SXJUKSJWEBWJKN-ICRTXTNUSA-N 2 0 295.383 -0.968 20 0 CBADRP C[C@H](NC(=O)C1CC[NH+](C)CC1)C1C[NH+](CCO)C1 ZINC000970372879 659053454 /nfs/dbraw/zinc/05/34/54/659053454.db2.gz WGWYBLMLBKAZKH-NSHDSACASA-N 2 0 269.389 -0.243 20 0 CBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(N)=O ZINC000970717214 659070134 /nfs/dbraw/zinc/07/01/34/659070134.db2.gz LHZNRTFRYKGYSU-WDEREUQCSA-N 2 0 268.361 -0.854 20 0 CBADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+](CCO)C1 ZINC000970744509 659070273 /nfs/dbraw/zinc/07/02/73/659070273.db2.gz GDUGTXNNAKVSDB-NSHDSACASA-N 2 0 267.373 -0.489 20 0 CBADRP NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000970792610 659071281 /nfs/dbraw/zinc/07/12/81/659071281.db2.gz PTBUVYAGIXLHSN-GFCCVEGCSA-N 2 0 282.388 -0.462 20 0 CBADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCO)C1 ZINC000970879351 659074526 /nfs/dbraw/zinc/07/45/26/659074526.db2.gz VTBDXHNHJFXGDK-GHMZBOCLSA-N 2 0 255.362 -0.633 20 0 CBADRP C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972231495 659109999 /nfs/dbraw/zinc/10/99/99/659109999.db2.gz GEYNNQWZEVVCPW-DGCLKSJQSA-N 2 0 296.415 -0.265 20 0 CBADRP C[C@@H](O)[C@@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000929283433 659113128 /nfs/dbraw/zinc/11/31/28/659113128.db2.gz IQEGGDAEZCOBNF-OCCSQVGLSA-N 2 0 272.389 -0.228 20 0 CBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH+](C)CCO)C2)C1 ZINC000972335080 659117175 /nfs/dbraw/zinc/11/71/75/659117175.db2.gz MTOAIEXQHGJUBR-OLZOCXBDSA-N 2 0 269.389 -0.147 20 0 CBADRP OC[C@@H](O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000929418803 659122081 /nfs/dbraw/zinc/12/20/81/659122081.db2.gz LRRIRSBUIBOONF-AWEZNQCLSA-N 2 0 272.389 -0.226 20 0 CBADRP OC[C@H](O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000929418804 659122602 /nfs/dbraw/zinc/12/26/02/659122602.db2.gz LRRIRSBUIBOONF-CQSZACIVSA-N 2 0 272.389 -0.226 20 0 CBADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)C3(O)CCC3)CC2)C1 ZINC000929980432 659189283 /nfs/dbraw/zinc/18/92/83/659189283.db2.gz KISYZHYFUIVELP-HUUCEWRRSA-N 2 0 297.443 -0.026 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H](O)CO ZINC000930059291 659201456 /nfs/dbraw/zinc/20/14/56/659201456.db2.gz CLHGNRTZPAETPE-LPWJVIDDSA-N 2 0 258.362 -0.477 20 0 CBADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H](O)CO ZINC000930059409 659201605 /nfs/dbraw/zinc/20/16/05/659201605.db2.gz CLHGNRTZPAETPE-XQHKEYJVSA-N 2 0 258.362 -0.477 20 0 CBADRP CN(CC[N@H+](C)C[C@@H](O)CO)C1CC[NH+](C)CC1 ZINC000930114471 659211501 /nfs/dbraw/zinc/21/15/01/659211501.db2.gz RKWHDEVGRKUHIL-CYBMUJFWSA-N 2 0 259.394 -0.703 20 0 CBADRP C[C@H](O)[C@H](O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000930136961 659219456 /nfs/dbraw/zinc/21/94/56/659219456.db2.gz PXFASIQTHJUFAS-BYNSBNAKSA-N 2 0 285.432 -0.314 20 0 CBADRP O=C(NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000978980578 659234732 /nfs/dbraw/zinc/23/47/32/659234732.db2.gz CDRAKXXIRHJNKP-ZSOGYDGISA-N 2 0 293.411 -0.241 20 0 CBADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](O)CO)CC1 ZINC000930664189 659318447 /nfs/dbraw/zinc/31/84/47/659318447.db2.gz SVUBJEYDWOWDFD-GFCCVEGCSA-N 2 0 259.394 -0.655 20 0 CBADRP NC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981462425 659318940 /nfs/dbraw/zinc/31/89/40/659318940.db2.gz WLMUMCKITFAAIQ-NWDGAFQWSA-N 2 0 294.399 -0.416 20 0 CBADRP C[N@H+](CC(N)=O)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000985791675 659401936 /nfs/dbraw/zinc/40/19/36/659401936.db2.gz MOADBKAWKAMPPW-LLVKDONJSA-N 2 0 282.388 -0.654 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000986352342 659446113 /nfs/dbraw/zinc/44/61/13/659446113.db2.gz GKTQQMBSSUWIHX-JQWIXIFHSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000986352344 659447566 /nfs/dbraw/zinc/44/75/66/659447566.db2.gz GKTQQMBSSUWIHX-PWSUYJOCSA-N 2 0 282.388 -0.465 20 0 CBADRP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986829802 659482837 /nfs/dbraw/zinc/48/28/37/659482837.db2.gz SMJGSYGLXNNTIU-JQWIXIFHSA-N 2 0 282.388 -0.608 20 0 CBADRP C[C@@H]1[C@H]([NH2+]CCO)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000987282307 659500193 /nfs/dbraw/zinc/50/01/93/659500193.db2.gz WGAITEHPFGONPF-TZMCWYRMSA-N 2 0 299.415 -0.332 20 0 CBADRP CCN(C(=O)C(=O)NC[C@H]1CCN1C)[C@@H]1CC[N@H+](C)C1 ZINC000931884075 659547754 /nfs/dbraw/zinc/54/77/54/659547754.db2.gz DPMFHVLEOBRETM-VXGBXAGGSA-N 2 0 282.388 -0.641 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000989449906 659587421 /nfs/dbraw/zinc/58/74/21/659587421.db2.gz LBIUKKFMKVOCRY-RYUDHWBXSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CC1CC[NH+](C)CC1 ZINC000989520558 659592369 /nfs/dbraw/zinc/59/23/69/659592369.db2.gz VDVQNJUOYXNOIH-DGCLKSJQSA-N 2 0 296.415 -0.217 20 0 CBADRP C[C@H]1C[C@H]([NH2+]CCO)CN1C(=O)COC1CC[NH+](C)CC1 ZINC000989623124 659603281 /nfs/dbraw/zinc/60/32/81/659603281.db2.gz RYCJYEWLMJKGSX-STQMWFEESA-N 2 0 299.415 -0.332 20 0 CBADRP CC[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC000990513775 659755405 /nfs/dbraw/zinc/75/54/05/659755405.db2.gz IHYYEFNULGQBOO-STQMWFEESA-N 2 0 296.415 -0.252 20 0 CBADRP OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2C[C@H](O)C[NH+]1CCCC1 ZINC000934257056 659795966 /nfs/dbraw/zinc/79/59/66/659795966.db2.gz GAAMHZSHLJZISI-BZUAXINKSA-N 2 0 297.443 -0.026 20 0 CBADRP C[NH+](C)C[C@@H](CO)NC(=O)COC1CC[NH+](C)CC1 ZINC000935981887 659848911 /nfs/dbraw/zinc/84/89/11/659848911.db2.gz UFSNXDUPQAMBEM-NSHDSACASA-N 2 0 273.377 -0.864 20 0 CBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCO ZINC000939550688 659891146 /nfs/dbraw/zinc/89/11/46/659891146.db2.gz ONWDVJVYJMWVDW-NWDGAFQWSA-N 2 0 267.373 -0.489 20 0 CBADRP C[N@H+](CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1)C1CCC1 ZINC000995900875 659910652 /nfs/dbraw/zinc/91/06/52/659910652.db2.gz AMFCAGWRSZZMCZ-GFCCVEGCSA-N 2 0 296.415 -0.217 20 0 CBADRP